smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc(OC)c1)C(=O)c1ccccc1	7912917	FHJIETHUKYXFLA-HKOYGPOVSA-N	413.517	5.725	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cccc(C)c1	10167367	KWXOYZREMSPVGC-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
N#Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1	18424703	YINSPCAXJONYHM-UHFFFAOYSA-N	422.941	5.560	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2ccc(Cl)cc2)cc1	22655586	XJOYYPMETCWFLV-UHFFFAOYSA-N	422.937	5.313	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1	56638489	RGBDLSRUPGKEGQ-UHFFFAOYSA-N	417.912	5.085	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3cccc4ccccc34)CC2)cc1	58632680	GXHCGDPPMXWUQK-UHFFFAOYSA-N	413.521	5.167	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2SC(F)F)c1	72022757	ALNDNOXRBXJZFM-UHFFFAOYSA-N	410.445	5.704	30	20	HKED	
C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1	72098881	WXBCRYLRUVFANA-UHFFFAOYSA-N	418.994	5.230	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cc1	237700406	OLYMNVYWERWICP-UHFFFAOYSA-N	411.820	5.341	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccc(Cl)cc2)CCC1	303354859	GAAJGGVBTPZLPQ-MRXNPFEDSA-N	413.974	5.199	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1	431195191	WQANHBQOEAUWPD-UHFFFAOYSA-N	424.501	5.098	30	20	HKED	
Cc1onc(-c2ccccc2)c1-c1nnc(CN[C@@H](CCCC#N)c2ccccc2)o1	433011524	GEZNDGQZLAZKEK-FQEVSTJZSA-N	413.481	5.225	30	20	HKED	
COc1ccc2occ(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2c1	441303521	NJPABJRSHVCONC-QHCPKHFHSA-N	412.445	5.015	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2o1	443536147	ZZCRTLMHEJQNQM-ZDUSSCGKSA-N	423.188	5.408	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1C#N	443900660	NWOAENXMSCUVJU-HNNXBMFYSA-N	422.460	5.037	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)n(C(C)(C)C)n1	444122339	BSQVQOYNCRNLGS-UHFFFAOYSA-N	405.546	5.446	30	20	HKED	
CO[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(Cl)cc1	460330440	STKWLTWTJSSHCQ-FQEVSTJZSA-N	422.937	5.480	30	20	HKED	
COc1ccc(-c2nc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cs2)cc1	460455187	CWEYUEXHPRWODD-UHFFFAOYSA-N	421.566	5.143	30	20	HKED	
C=CCn1c(SCCCCCn2c(C)nc3ccccc32)nnc1-c1ccccn1	460880012	YRDBHISFHUPFTC-UHFFFAOYSA-N	418.570	5.147	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1F	462161113	CJXAORNSHJLMIH-AWEZNQCLSA-N	418.310	5.141	30	20	HKED	
FC(F)(F)Oc1ccc([C@@H](NCc2cncc(C(F)(F)F)c2)C(F)(F)F)cc1	463149539	LNSFHSBJNXBFPT-CYBMUJFWSA-N	418.259	5.392	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	464076952	OXQXOOGVLMBJLC-UHFFFAOYSA-N	405.527	5.036	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H]1CCOC(C)(C)C1	464690122	VPPUPEXASZPNAV-SFHVURJKSA-N	412.917	5.424	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccc(F)cc4)s3)ccc21	469045023	SRQXMQWKNAGNKR-UHFFFAOYSA-N	419.525	5.749	30	20	HKED	
Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1Br	469592447	GCSBZZLVXBMWND-UHFFFAOYSA-N	400.320	5.319	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1	472872444	UZFFHUYXFMYYBE-UHFFFAOYSA-N	413.481	5.014	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	474523762	ZHBXOFZQZFWVOA-QHCPKHFHSA-N	418.928	5.318	30	20	HKED	
CC(C)c1c(NC(=O)c2ccc(C(C)(C)C#N)cc2)cnn1-c1ccccc1Cl	477017541	HEIGHIITCXAVLB-UHFFFAOYSA-N	406.917	5.703	30	20	HKED	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	478671637	MMARNNVUYQEKSB-UHFFFAOYSA-N	423.476	5.405	30	20	HKED	
CCN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H](C)c1ccc(F)cc1	479170091	UCFBDKUTDDVHQW-YTXWROIDSA-N	409.505	5.180	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H]1CCc2ccc(F)cc21	481378086	SCJQEVDTQIOAQX-IFXJQAMLSA-N	400.544	5.579	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc1	481997063	GDQJFUCNZPDHSC-BEFAXECRSA-N	402.416	5.462	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	484292003	PNXFDVNFFXADAT-SFHVURJKSA-N	414.505	5.587	30	20	HKED	
N#CC1(F)CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1	484406113	PKQNIUJCLRNPQW-SFHVURJKSA-N	406.288	5.120	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1	487599891	BSEIFHVMYOTPSM-NRFANRHFSA-N	400.478	5.246	30	20	HKED	
C[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1	487604284	OZCLMJQFGMNKJA-NLFFAJNJSA-N	410.517	5.572	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	488176513	KHBAVGGQIJNRHS-SFHVURJKSA-N	420.246	5.269	30	20	HKED	
COc1ccc(-c2cc(NC(=O)NCc3cccc(C#N)c3)ccc2OC(F)F)cc1	500219945	QIAJFKHHHXVLPP-UHFFFAOYSA-N	423.419	5.157	30	20	HKED	
CCc1cc(O)nc(-c2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)n1	500340998	FHVKBTJPBDMWSX-UHFFFAOYSA-N	420.472	5.203	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)n2)c1	502401455	KRQWVZHYGMNVFB-UHFFFAOYSA-N	420.881	5.171	30	20	HKED	
Cc1nc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)sc1SCC#N	504829752	BHIOOZPZKNMZLL-UHFFFAOYSA-N	406.945	5.096	30	20	HKED	
N#C[C@H](NC(=O)c1cc(F)c(F)cc1Br)c1cccc(Cl)c1Cl	505339949	XWYRAWWQUHVNHR-ZDUSSCGKSA-N	420.040	5.029	30	20	HKED	
C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OCCC(C)C)CC1	508697136	ITJBQWKSSQEYKE-UHFFFAOYSA-N	419.573	5.019	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1F	510551030	HPWXECAINNJINT-AWEZNQCLSA-N	405.281	6.055	30	20	HKED	
CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1	513988471	YXEGVNMHFSZAAK-UHFFFAOYSA-N	417.484	5.639	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(COc2ccccc2C#N)o1	515681590	KDDSQLQXOWYEEJ-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	517466788	VDOUCFLIGLAWNF-DJJJIMSYSA-N	408.304	5.217	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2ccccc2)cc1Cl	521344649	PQWJQCQTADZZEQ-JOCHJYFZSA-N	418.928	5.619	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	521800101	GNVNZHDCRFGHPY-LLVKDONJSA-N	401.340	5.188	30	20	HKED	
CCOc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	523373112	TVNDFXXZEIRJQO-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccc(C#N)cc1	523619685	OLORINIXBHKPTK-AWEZNQCLSA-N	408.889	5.003	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1ccncc1	524454692	SNHFTMCITSKRAH-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
CC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(COc2cccc(C#N)c2)c1	524487660	YCTIOJRNCFYQJM-UHFFFAOYSA-N	404.432	5.188	30	20	HKED	
COc1ccc(CN[C@H](c2ccccc2)c2cccc(F)c2)cc1OCCCC#N	532294208	ROKGHJNCDAGHQE-RUZDIDTESA-N	404.485	5.396	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)NCc2ccc(C#N)cc2F)cc1OC	532990091	UWOQIDUKNYPYKN-HSZRJFAPSA-N	404.485	5.097	30	20	HKED	
N#CCc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1	534744739	UTRPMPVJFATAMF-UHFFFAOYSA-N	423.541	5.766	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CN(CCC#N)CC(C)(C)C)cs1	535207669	QZHHCRWDQZRMSH-UHFFFAOYSA-N	404.967	5.243	30	20	HKED	
COc1ccc(COCCCC(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	536327694	DUHLPNYVVDPTDC-UHFFFAOYSA-N	406.507	5.231	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1cccc(Cl)c1	539622689	CHSKMMSGXSFIKV-AWEZNQCLSA-N	410.930	5.338	30	20	HKED	
C[C@@H](NCc1csc(-c2ccsc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541991863	DCURJNQGCYXGOE-MRXNPFEDSA-N	401.560	6.261	30	20	HKED	
COc1ccc2c(c1)C[C@H](C)N(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]2C	542878239	FSLHMOWFNUCFBE-BZSNNMDCSA-N	423.582	5.036	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1	543502279	PESNYQDSIPHELE-CYBMUJFWSA-N	411.914	5.302	30	20	HKED	
CO[C@H](c1cccc(Cl)c1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1	545741551	UOSJDUNDCTXSTI-NELJVSICSA-N	418.884	5.498	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1ccccc1CSc1nc3ccccc3o1)CC2	550520906	UCHNSWROXMHCEN-UHFFFAOYSA-N	411.486	5.195	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccco1	553320049	NWXDKHMBLKBKJV-WMZOPIPTSA-N	401.532	5.209	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1	555259329	ZPBNEGGWCDZKGU-HRAATJIYSA-N	419.554	5.030	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)c2)cc1	557085611	PTEAGTXUUJIIOA-HSZRJFAPSA-N	401.441	5.859	30	20	HKED	
CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	563785009	VSFXYGNPLRTHGS-HSZRJFAPSA-N	418.472	5.746	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564558440	HVYHMCGHHFRWCX-SFHVURJKSA-N	414.509	5.617	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3/C=C/c3ccccc3)cc2)ccn1	569747256	SYMKEDNEYUSZHL-NJTIBFSMSA-N	410.477	5.455	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cn1)c1ccccc1	571835749	MPQOZJSUAPAKAO-MAUKXSAKSA-N	405.523	5.466	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	591514472	ZKTMSCGMCCJCLT-UHFFFAOYSA-N	405.420	5.388	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSCc1ccc(Cl)cc1	603601173	COLSQWDTUFBXIV-UHFFFAOYSA-N	423.925	5.579	30	20	HKED	
Cc1sc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c(C#N)c1C	603819169	GFQFLTWQTIENHK-UHFFFAOYSA-N	412.518	5.401	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCCOc4ccc(F)cc43)c2)c1	604417886	IYCRRALLRFOWPS-DEOSSOPVSA-N	402.469	5.280	30	20	HKED	
C=CCN(C(=O)c1cc(O)nc2ccc(F)cc12)c1nc(-c2ccccc2)cs1	606159520	WDGLQQDUXSUPMF-UHFFFAOYSA-N	405.454	5.036	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC4CCCCC4)cc3)o2)cc1	609071830	HLPPYIQVLBXJSC-UHFFFAOYSA-N	415.493	5.727	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2cccs2)on1	609072474	NBGZDBVMWRAEEU-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(OCC(C)C)cc1	609297720	APNDNFRKMRDAHN-UHFFFAOYSA-N	415.493	5.270	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)n1	609377820	HBPJUXNPSAOXBR-INIZCTEOSA-N	404.539	5.052	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCOc1ccccc1Br	609378244	XQJLTZUZSCEWFD-AWEZNQCLSA-N	419.344	5.108	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(OCc2ccccc2)c1	609430300	LNDQIVZGZWAXSK-QGZVFWFLSA-N	403.507	5.307	30	20	HKED	
COCCCOc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609502099	MZHOBKOCTULSNS-UHFFFAOYSA-N	416.477	5.213	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1	609555843	QQYVCWANUFZOCY-UHFFFAOYSA-N	405.885	5.455	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C#N)c2ccccc2Br)c1	609593495	XTKNXZBRXZBDJA-BEFAXECRSA-N	415.331	5.029	30	20	HKED	
C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)C1	609813789	RFUPCIUPVDUWMN-KZNAEPCWSA-N	421.570	5.127	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1	610122500	LDSSKRAKDYABKG-IBGZPJMESA-N	406.526	5.116	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	610240335	QAESANRNIZRUPX-MEBBXXQBSA-N	401.215	5.497	30	20	HKED	
N#Cc1cc(F)ccc1N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	610277847	YRFUOSMCABYJDU-XMMPIXPASA-N	420.532	5.390	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	610530701	XOAUYHUWDGEWJD-IIBYNOLFSA-N	404.901	5.316	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1	612263435	FZAUSMFVQOUUOW-QHCPKHFHSA-N	402.519	5.982	30	20	HKED	
COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1OCc1ccc(F)cc1	618741618	HHZCJLQWRNHRNN-QHCPKHFHSA-N	402.469	5.062	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21	618750790	WFNNNFKPJYAHOA-DEOSSOPVSA-N	408.461	5.340	30	20	HKED	
C=CCN(C(=O)CCc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	619130818	AXMOGCAVNCBJOJ-UHFFFAOYSA-N	407.495	5.179	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)cc1Cl	619827004	QIHHLUHCAUNVHG-UHFFFAOYSA-N	403.860	5.144	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N3CCCC3)cc2C)cc1OC	630067349	BAKNEANQHISWQU-UHFFFAOYSA-N	414.933	5.070	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c12	679536846	VHVSCQIZWAKRJJ-KRWDZBQOSA-N	422.444	5.644	30	20	HKED	
CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1	726732319	DDJQMIVXQXJCLO-INIZCTEOSA-N	405.479	5.020	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccccc2Cl)n1	727628973	ZBBOQZMTSSNASC-AWEZNQCLSA-N	416.289	5.078	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=S)Nc3ccc(SC(F)F)cc3)CC2)cc1	728791094	HNBXZVQMYCVFIU-UHFFFAOYSA-N	419.522	5.113	30	20	HKED	
Cc1cc(COc2ccc(/C=C/C(=O)c3c[nH]c4ccccc34)cc2)oc1C(=O)O	729937372	PZLJYGAXSVVJEI-DHZHZOJOSA-N	401.418	5.243	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(Br)c1)c1nc2cc(F)ccc2s1	730416811	IOHXJQXBLWCFIY-AWEZNQCLSA-N	403.276	5.007	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSC1=Nc2ccccc2CS1	730950954	DQNJFLBWLLLRIB-AWEZNQCLSA-N	413.593	5.545	30	20	HKED	
Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@H](c1ccc(O[C@H](C)C#N)cc1)N2	731301266	LNMBYQSEALYAOP-KBMIEXCESA-N	411.505	5.095	30	20	HKED	
Cc1ncccc1/C=C1\CN([C@@H]2CCCC[C@@H]2C)C/C(=C\c2cccnc2C)C1=O	734094373	CNKRMSKMCAYJEI-XOEREWSUSA-N	401.554	5.024	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1ccccc1Cl	743093453	VJLVYORCHWOJIX-DYESRHJHSA-N	419.912	5.584	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(F)c(Br)c2)cc1	744033968	XDRPYMSLXBAJLV-BLLLJJGKSA-N	417.278	5.063	30	20	HKED	
COc1cccc(NC(=O)/C(=C/c2cccc(OC(F)F)c2)C(=O)c2ccccc2)c1	747064138	UGHWNQKPIUTFOS-KGENOOAVSA-N	423.415	5.202	30	20	HKED	
COc1cccc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2cc(F)ccc2OC)c1	747099740	JZTYNBVAZOOBIY-GKVSMKOHSA-N	420.484	5.013	30	20	HKED	
O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1cc(Cl)sc1Cl	747191259	CCKBZLRDLHQNMB-WAYWQWQTSA-N	419.333	5.336	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)cc1	749914437	YGELMXNGDMTLEY-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1ccc(-c2ccncc2)cc1F)C(=O)c1ccccc1	751521656	GWGWIKIDFFJXLU-HAHDFKILSA-N	423.447	5.188	30	20	HKED	
Cc1nc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)sc1-c1ccccc1	751995555	NCPXKGNZSFSDPX-PMACEKPBSA-N	402.523	5.422	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc4ccccc4n3)n2)cc1	752173455	DQTCVOZWJCWHGK-XEDBTPMOSA-N	411.486	5.257	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCOc2c1ccc(Cl)c2Cl	753141489	HOZANXJRHDDXMS-XFXZXTDPSA-N	403.290	5.561	30	20	HKED	
N#C[C@H](C(=O)Cc1ccn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	757303732	GAWSLXSSYMYLFN-LJQANCHMSA-N	418.909	5.068	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	760206038	YSGPRTLPCDNCHT-QGZVFWFLSA-N	410.470	5.064	30	20	HKED	
Cc1ccc(Oc2cc(-c3noc(Cc4ccc(OCC#N)cc4)n3)ccn2)cc1C	761730469	ZANITTUNKVHIID-UHFFFAOYSA-N	412.449	5.034	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3ccc(Oc4ccccc4Cl)cc3)CCO2)c1	762317120	MFVRKIWMFPJBLQ-HSZRJFAPSA-N	418.880	5.218	30	20	HKED	
N#C[C@@H](C(=O)[C@H](c1ccccc1)C1CC1)c1nc2cc(C(F)(F)F)ccc2s1	765915110	JJXKBQZBCXAOSR-MAUKXSAKSA-N	400.425	5.685	30	20	HKED	
Cc1ccc(Cc2nc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1	768777100	JYFRSIKCYBTYIQ-SFHVURJKSA-N	413.502	5.037	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2ccc3cc(OC)ccc3c2)ccc1OC	772985652	LPSNNYNZGSFYMI-UPVQGACJSA-N	418.537	5.779	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	779609293	OLJLBKBWOWSPQV-UHFFFAOYSA-N	407.392	5.482	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1	780152662	GMCKXQAFSJHHNM-SBUREZEXSA-N	420.896	5.698	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl	780153114	HWZQAQOYSMDDPB-MRXNPFEDSA-N	406.869	5.315	30	20	HKED	
COc1ccc(CNc2cc(F)c(OC(C)(C)C)c(F)c2)cc1OCCCC#N	782392354	RGMNIHIBHJIBDB-UHFFFAOYSA-N	404.457	5.445	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccccc1C1CC1)c1nc(-c2ccccc2)cs1	786056369	NXZATVJDAFFMDD-FQEVSTJZSA-N	404.560	5.797	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1	787042817	YXCFHBDOZRXUFJ-WOJBJXKFSA-N	424.591	5.145	30	20	HKED	
CC(C)n1ncc2cc(/C=C3/C(=O)c4cc([N+](=O)[O-])ccc4C3(C)C)c(Cl)nc21	788361725	GPUBFIFETOVAMA-IUXPMGMMSA-N	410.861	5.131	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cc(Cl)ccc3C2)cc1	792227747	CBWLUHNBVSIBRH-HSZRJFAPSA-N	401.897	5.586	30	20	HKED	
CN(Cc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1)C(=O)OC(C)(C)C	793246888	LSSFURGHLOXTFR-IBGZPJMESA-N	407.514	5.080	30	20	HKED	
N#CC[C@@H](CC(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1	793413752	RRZSVYOMSNGUJJ-IBGZPJMESA-N	402.425	5.071	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1	793651755	ZBTUHQPWGNQIDZ-LJQANCHMSA-N	412.965	5.279	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C(C)(C)c2cccc(Br)c2)s1	797572402	ZGCRZDUXRUZMNM-AWEZNQCLSA-N	405.361	5.357	30	20	HKED	
N#CC1(CCCOC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)CCOCC1	800153964	HEQVHDWJTOOPFQ-NRFANRHFSA-N	413.901	5.104	30	20	HKED	
C=CCCCCCCCCNC(=O)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1	806773756	BUXWTRUECLSNKR-QHCPKHFHSA-N	405.627	5.116	30	20	HKED	
N#C[C@H](C(=O)C12CC(C(F)(F)F)(C1)C2)c1nc2cc(C(F)(F)F)ccc2s1	810537520	VURAANGUCHBQCN-WFJJYUMRSA-N	404.335	5.224	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)OCc2ccccc2C(C)(C)C#N)s1	811289339	VIKOCRGJXHCQDN-UHFFFAOYSA-N	414.527	5.278	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc2cc[nH]c12	814729432	PPUYPNZRHJNXQG-UHFFFAOYSA-N	418.909	5.450	30	20	HKED	
CC(C)(C#N)CC(=O)OC(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1	816477492	AAJVJAJODMZRMH-UHFFFAOYSA-N	401.306	5.094	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)n1	915098502	URTJULLBPIVILG-MRXNPFEDSA-N	421.572	5.844	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCOc2ccccc2F)cc1	915352267	GQJHLSXWELFEKG-NRFANRHFSA-N	403.457	5.072	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1O	916157309	GULOQSNIYYYDPQ-BJMVGYQFSA-N	408.425	5.024	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	917045415	ZGIQUNYMVYRTAA-OUOZUETKSA-N	424.909	5.413	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2ccc(Cl)s2)n1	920017706	LYWPYJKJYPVGGI-UHFFFAOYSA-N	411.291	5.278	30	20	HKED	
N#Cc1c(NC(=O)c2cccnc2SC(F)(F)F)sc2c1CCCCCC2	920281148	YZTZXPNJTPMFGD-UHFFFAOYSA-N	411.474	5.538	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1	1789453084	JOXNKVWRAHUYSH-FQEVSTJZSA-N	423.582	5.276	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1828827905	ZCCHYQMVTHDGKW-GOTSBHOMSA-N	400.607	5.121	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(F)cc1	7736948	BTGSKFVJQJGHCO-ZDUSSCGKSA-N	416.909	5.043	30	20	HKED	
Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2c(F)cccc12	23258768	DJUPMZWVLGIZCZ-UHFFFAOYSA-N	424.482	5.148	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1	48161134	CXHHYQNMRUSILH-IBGZPJMESA-N	418.324	5.278	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1cccc(C(C)C)c1	49723951	UMJKCBGMIMIEJS-UHFFFAOYSA-N	401.466	5.195	30	20	HKED	
CCn1c([C@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)nc2ccccc21	303176681	WODZJGRSAWHMOK-OAQYLSRUSA-N	401.514	5.226	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1c(Cl)cccc1Cl	303271581	HNPHUPAAABVPEQ-GFCCVEGCSA-N	411.379	6.118	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1	303753098	MHKLJNYBKHRHCM-MRXNPFEDSA-N	404.432	5.545	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)s1	428337177	LGKFNZNAIWOLLJ-UHFFFAOYSA-N	419.535	5.210	30	20	HKED	
Cc1cc(Br)cc(C)c1CNC(=O)N[C@H](CCCC#N)c1ccccc1	431869190	PFYLAYFBAMZNGM-HXUWFJFHSA-N	414.347	5.300	30	20	HKED	
N#CCCC[C@@H](NCc1ncc(-c2ccccc2Br)o1)c1ccccc1	433031052	IATWSMPWUPMBGC-LJQANCHMSA-N	410.315	5.629	30	20	HKED	
CCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](Cc1ccc(F)cc1)C(C)C	435125023	BYQZIGAFRAZOEY-XMMPIXPASA-N	419.548	5.087	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C	435130998	AFXKAHMWKOCNCT-ZHRMCQFGSA-N	403.526	5.631	30	20	HKED	
CC(C)(C#N)CCCCSCc1nc(-c2ccc(Br)s2)no1	435887486	HQJNDMHBEZOGJJ-UHFFFAOYSA-N	400.367	5.514	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccccc1	437873285	QKJRVFBLUIJGPG-ZCYQVOJMSA-N	411.505	5.569	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](CSc2ccccc2)C1	438051250	QKVMLSLECXILES-ROUUACIJSA-N	411.596	5.584	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](CSc2ccccc2)C1	438062545	WTHUUHCQRNNWBE-ZWKOTPCHSA-N	411.596	5.727	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc3cc(OC)ccc3c2)nnc1-c1ccncc1	439286163	QPABNGQFZWUOKR-INIZCTEOSA-N	402.523	5.541	30	20	HKED	
CCCc1c(NC(=O)N(CCC)Cc2ccccc2)cnn1-c1cccc(C#N)c1	439663603	CELGSIIZCZRKHY-UHFFFAOYSA-N	401.514	5.141	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc(-c2nnc(C)o2)cc1)c1ccc(C(F)(F)F)cc1	441555741	YXHSXFMAXXOXIR-IBGZPJMESA-N	415.415	5.501	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1	441631219	DSDIIQYWSLIXQU-ZHSNQQFMSA-N	413.587	5.140	30	20	HKED	
CCc1cc(C#N)c(NC(=O)CCc2nc3cc(Br)ccc3s2)s1	443878816	ONGLMRNSBSBYGG-UHFFFAOYSA-N	420.357	5.126	30	20	HKED	
Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	443924651	GNUPCUSOJCTZJA-CYBMUJFWSA-N	408.433	5.020	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Br)s1	444816602	JEHNDEXPGCKIIM-NEPJUHHUSA-N	424.389	5.645	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cc(C)c(O)cc2C)cc1	445237636	HZAJDZNRTHKYGN-UHFFFAOYSA-N	403.438	5.326	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccccc1C(C)(C)C	460445485	FAYVFXHMBPAAAS-UHFFFAOYSA-N	421.522	5.152	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C	463757323	VADJWDZVORQEPF-CYBMUJFWSA-N	417.456	5.844	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CNC(=O)Nc1ccccc1SC[C@H](C)C#N	463967966	XAETYSVHDUEWPK-AEFFLSMTSA-N	409.555	5.189	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12	464543528	AQDHHYGZKHNKEP-NQIIRXRSSA-N	420.553	5.426	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1C(F)(F)F	465760186	WMORGDILEOGWHW-QSFXBCCZSA-N	401.432	5.248	30	20	HKED	
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)cc1	466622416	DJDZGWLOYSOUQL-FQEVSTJZSA-N	406.530	5.431	30	20	HKED	
C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	470825389	KWVACKXAHJMSDJ-UTKZUKDTSA-N	413.452	5.049	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)cc1	471163539	XWJNMEVWEMPTEV-INIZCTEOSA-N	421.287	5.248	30	20	HKED	
CCO[C@@H](CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C(C)C	472753598	PCTVLDHAJGLAJL-QHCPKHFHSA-N	409.530	5.018	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccco1)Cc1ccc(C)s1	475569240	QAINORLXWQEPAE-UHFFFAOYSA-N	408.567	6.736	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1	476064961	COGJESGXUJVXTR-LJAQVGFWSA-N	402.519	5.048	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1cccc(F)c1	480944299	ZETVSQCMYJUNPW-OAHLLOKOSA-N	410.861	5.073	30	20	HKED	
CC(C)(C)[C@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	482906930	JUMVYLOJGCERSL-JTHBVZDNSA-N	421.541	5.047	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccccc1	486996758	LBOBXBCRBUHUDV-UHFFFAOYSA-N	414.534	5.680	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ccccc1C(C)(C)C#N	489659681	FZHBKGJLIVIJLE-UHFFFAOYSA-N	404.539	5.137	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)cc1OC	496558102	ZVTFVXZBUJGKQX-RUZDIDTESA-N	416.521	5.215	30	20	HKED	
CCN(C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1)c1nc2ccccc2s1	499476130	ZCODJLVVELMDKI-UHFFFAOYSA-N	421.469	5.332	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc12	499968245	KSIPGBVDLNTGCN-SFHVURJKSA-N	424.888	5.183	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccccc1	500125678	UUVZJYVWGLKQRQ-XMMPIXPASA-N	415.562	5.472	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(OCC)c1	502665012	FLTOOXSLVCAPIK-UHFFFAOYSA-N	407.283	5.207	30	20	HKED	
C=CCCc1ccccc1NC(=O)NCC1(c2ccc(OCC)cc2)CCOCC1	505024216	RGWNPTYRADOBTQ-UHFFFAOYSA-N	408.542	5.074	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1)c1ccccc1	510020782	VFNQMRALMPELRT-KRWDZBQOSA-N	401.485	5.787	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCSc3ccccc32)cc1	510346937	PBCCBEVYKBEITK-HXUWFJFHSA-N	401.491	5.709	30	20	HKED	
Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	511621055	XANHMYIMMJOPMS-GOSISDBHSA-N	403.404	5.177	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	511775328	RMIBALJXHSXQKL-UHFFFAOYSA-N	403.507	5.021	30	20	HKED	
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)o1	513678321	LOIXEMKBUZDSQI-GAJHUEQPSA-N	423.532	5.069	30	20	HKED	
N#Cc1ccc(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1Cl	515253560	IHXFHILXPTUOGR-UHFFFAOYSA-N	416.746	5.602	30	20	HKED	
CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1)c1ccccc1	517281578	PZINUELAYYVRSV-IBGZPJMESA-N	411.486	5.063	30	20	HKED	
CC(C)CCN1Cc2cccc(NC(=O)CCCCOc3cccc(C#N)c3)c2C1	517646664	DBCXSWQZBVSBML-UHFFFAOYSA-N	405.542	5.108	30	20	HKED	
C[C@@H](Sc1ccccc1Cl)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	518922417	PJWYVRIYFUJFDD-FAEJEUNOSA-N	414.958	5.199	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)c1C	523536074	CBJHJMPJSDSGHQ-GOSISDBHSA-N	416.525	5.064	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Cl)c2Cl)cc1C	532058570	BWLSUPHGPVWHPC-UHFFFAOYSA-N	413.308	5.640	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C1CC1	534246869	NZZFGSRQOPPTBX-OAHLLOKOSA-N	404.470	5.027	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc([C@@H]3CCOC3)c2)cc1	536424748	USSWHVTXWGIFSA-XMMPIXPASA-N	414.480	5.044	30	20	HKED	
CC(C)C(=O)Nc1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1	539183633	MYGMMSOIVBBPLE-UHFFFAOYSA-N	412.493	5.141	30	20	HKED	
C=CCCOCCCCC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1C	539501491	NKWGKZTZLNAXOG-DEOSSOPVSA-N	420.553	5.045	30	20	HKED	
C=CCCO[C@@H](C)c1nc(-c2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)no1	544517171	RZVYRTWBICBIOG-AWEZNQCLSA-N	406.408	5.212	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccccc1	545152463	GACZMANJSHPFBY-UNMCSNQZSA-N	408.933	5.170	30	20	HKED	
O=C(O)C[C@H](NCc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1	556323434	MOLYFWBZXPLWFG-HNNXBMFYSA-N	409.301	5.169	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c1	561320244	DVFDFKDLGQTCJF-LJQANCHMSA-N	406.873	5.019	30	20	HKED	
CC1(C(=O)N(Cc2ccccc2)C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1	564134874	KAOODWBHSMKIAQ-UHFFFAOYSA-N	407.945	5.009	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)cc2)ccn1	570854730	HLCIQJQFTXHMTF-RHDGDCLCSA-N	420.419	5.091	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	571410962	MQNJWHDYFJKZDU-PMACEKPBSA-N	405.464	5.191	30	20	HKED	
O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	579846858	KCZHJFGSROFWNQ-GFCCVEGCSA-N	401.297	5.178	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	582977645	PPTMOYDFSHXPKJ-DJJJIMSYSA-N	403.309	5.317	30	20	HKED	
C=C[C@@H](CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1	583581107	ZAGSGYVULVQQDL-SBUREZEXSA-N	417.471	5.649	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Br)c1cccc(C#N)c1	588298909	YVBPGEIFNNJTME-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccc(C#N)c1	600847431	SLDLVVFDWLQNAX-CYBMUJFWSA-N	401.363	6.077	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)o1	603945916	MFAGJMUSZDVMEZ-UHFFFAOYSA-N	409.854	5.246	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccc2Cl)s1	604517376	XAVBUFXTJDIPBK-UHFFFAOYSA-N	409.942	5.634	30	20	HKED	
Cc1nnc(-c2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)o1	609297919	UJVRNXMGAZQMIB-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)sc1SCC#N	609502114	OOZLQJGFTUSFBM-UHFFFAOYSA-N	420.519	5.178	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1	609757758	UJVCZXCXHIHUOW-HSZRJFAPSA-N	410.945	5.905	30	20	HKED	
C[C@H](c1ccc(C#N)cc1)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	609823617	WXJMVJKJVCTFML-QGZVFWFLSA-N	414.484	5.461	30	20	HKED	
C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1	609845494	SXQKRBJVVWSRBO-XUVXKRRUSA-N	414.619	5.199	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1cccc(C#N)c1	610324588	BGZULDAWXIUTDP-HNNXBMFYSA-N	418.884	5.347	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1sc(-c2ccccc2)nc1C(F)F	611186961	ZBKCWSTYBUUYHK-MSOLQXFVSA-N	423.488	5.660	30	20	HKED	
C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1noc(-c2ccc(Cl)cc2)n1	611215753	YIRIUYFTWSQDHQ-SECBINFHSA-N	421.671	5.059	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	611557478	KPPYQVNUSCKWBD-ZFWWWQNUSA-N	421.394	5.684	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@H](C#N)c3nc4ccccc4o3)o2)cc1	614439666	CVQQCPHIDAOZHL-FQEVSTJZSA-N	419.440	5.948	30	20	HKED	
Cc1cc(F)c(Br)cc1NC(=O)c1c(Cl)cc(C#N)cc1Cl	616172252	WXHFCBVWUDCIGN-UHFFFAOYSA-N	402.050	5.327	30	20	HKED	
C[C@H](c1cccc(C#N)c1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	617676400	BOBOGPOQSIPNRE-BLVKFPJESA-N	414.292	5.094	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@H]2CCc4cc(C#N)ccc42)CCC3)cc1	618808251	ZYNUPYYDUVXAPI-LEWJYISDSA-N	401.535	5.345	30	20	HKED	
C=C(C)COc1cc(CNc2cccc(S(=O)(=O)c3ccccc3)c2)ccc1OC	630061840	DVONOSSMINPLRE-UHFFFAOYSA-N	423.534	5.095	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)c1ccc(C(F)(F)F)cc1	676761426	VWTYBRCMJQDEFX-RBUKOAKNSA-N	420.479	5.165	30	20	HKED	
Cc1cc(F)c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1F	678332673	VIDVQLNFIONQGQ-UHFFFAOYSA-N	405.273	5.056	30	20	HKED	
COCCCC(=NNc1ncccc1C(F)(F)F)c1ccc(Br)cc1	727254920	CUBKOOSXSJRFNG-UHFFFAOYSA-N	416.241	5.106	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](c3ccccc3)C(C)C)n2)cc1	728769744	JFLYXQYSXYJIRW-SFTDATJTSA-N	404.535	5.825	30	20	HKED	
C[C@@H](Oc1cccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)c1)C(=O)O	731936988	FKODIYYRUOMBLX-WDGDVPDHSA-N	423.465	5.014	30	20	HKED	
O=C1/C(=C/c2ncc(-c3cccc(Br)c3)[nH]2)CCOc2ccc(F)cc21	731939331	WAJBZJCNPIGJDK-UKTHLTGXSA-N	413.246	5.027	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc2ccccc2c1O	733080691	WYKZIQJDPVRAAS-UHFFFAOYSA-N	423.398	5.252	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)C)c2cccs2)ccc1OC	733646469	LWDOBYKEOYWVBL-ROUUACIJSA-N	415.559	5.024	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)c2sc3cc(Br)ccc3c2Cl)C1	735057459	JZXYYPKSDUOSAK-DYZYQPBXSA-N	411.752	5.519	30	20	HKED	
CCc1nc(C)c(C(C)=NNc2nnc(-c3ccccc3)n2-c2ccccc2)s1	735227609	VUCJCSXBWDYKFK-UHFFFAOYSA-N	402.527	5.098	30	20	HKED	
C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccs1	737506849	MFGHYKREQGLUSG-NSHDSACASA-N	421.469	5.428	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1cc(Cl)cc(Cl)c1	740536881	ZDWVFNHVSHWKKZ-INIZCTEOSA-N	420.683	5.018	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C	741643202	VDJAXEGRVZCLLG-UHFFFAOYSA-N	422.504	5.022	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C/c1cn(Cc3ccccc3)nc1-c1cccnc1)C2=O	742436961	HNPNSFIBGGBDRZ-HMAPJEAMSA-N	416.484	5.078	30	20	HKED	
Cc1ccc(-c2cnc(COC(=O)c3ccc(COc4ccc(C#N)cc4)o3)o2)cc1	744944442	ZBDFZDAMZLXFEF-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NOCc1cccnc1	746586983	BGIHHHXQCXRAEZ-UHFFFAOYSA-N	409.704	5.146	30	20	HKED	
CCOc1ccccc1C=NOCc1ncc(-c2ccc(Br)cc2)o1	754278950	HWDIKLXVIYAPSS-UHFFFAOYSA-N	401.260	5.054	30	20	HKED	
C[C@H](OC(=O)/C=C/c1ccccc1C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	757989620	KYFVOYMKJKEWCE-LZGFCCKTSA-N	414.248	5.233	30	20	HKED	
C/C(=C/c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	759214593	YVAAVBVKNACOCR-MEODZPNASA-N	407.684	5.398	30	20	HKED	
O=C(/C=C/c1cccc(-c2cccnc2)c1)c1ccc(N2CCOCC2)cc1Cl	762438001	JUZOEURHNZTTJG-RMKNXTFCSA-N	404.897	5.135	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cs1	763289829	NXBCWIGJYQGSFY-BOURKTIISA-N	414.530	5.836	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@@H]2c2cc(C)no2)c1=S	764898327	NGFAXTYDMPTAEP-QGZVFWFLSA-N	415.950	5.012	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN(CC)[C@@H](CC)c2ccncc2)c1=S	765027475	JBLILNKUFFOPRZ-NRFANRHFSA-N	407.587	5.401	30	20	HKED	
C[C@@H](c1ccccn1)N(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(N(C)C)cc1	766587719	KNCCBLKQIPBNKB-INIZCTEOSA-N	404.901	5.081	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	766844620	SOJCTTLHOPYZGK-MRXNPFEDSA-N	401.413	5.033	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2coc(-c3ccc(F)cc3)n2)c2ccccc21	769543511	HIOBAEQIVYEPFU-UHFFFAOYSA-N	403.413	5.096	30	20	HKED	
CN(CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	772642912	ZUJOWMRNCMIYCS-MRXNPFEDSA-N	416.333	5.430	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC(Sc3ccc(Cl)cc3)CC2)c1=S	772826548	YXPZCMPBTNLTGB-UHFFFAOYSA-N	421.035	5.345	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3ccccc3C)cc2)cc1	772970632	FWSUFZNHMMLWFS-OAQYLSRUSA-N	416.502	5.116	30	20	HKED	
C[C@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(OCc2cccnc2)cc1	774972540	SYCXKHLEWXKSAA-KRWDZBQOSA-N	407.901	5.067	30	20	HKED	
CC[C@@H](C)Oc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccn1	777565139	IXAJMZUCBFHGKC-WZONZLPQSA-N	414.509	5.236	30	20	HKED	
COc1ccc2c(-c3ccccc3)cc(=S)n(CN3CCC(C)(C#N)CC3)c2c1	779878866	OUKSDZALFXARMU-UHFFFAOYSA-N	403.551	5.630	30	20	HKED	
Cc1cc(SCC(=O)Nc2ccccc2O[C@H](C)C#N)c(C)cc1Br	780151352	MKZPREKFPRGYRD-CQSZACIVSA-N	419.344	5.088	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(Br)cc(C(F)(F)F)c1	780176273	JQDNASKJXVNZFL-JTQLQIEISA-N	413.193	5.011	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1	787041188	OAMOSAHGHXCHSM-NRXGSXMXSA-N	403.309	5.073	30	20	HKED	
C[C@@H](C=Nn1c(S)nnc1CSc1ccccc1)c1ccc(C(F)(F)F)cc1	789038650	ZZORMKOFYQDGOT-ZDUSSCGKSA-N	422.501	5.516	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C	789718978	MEQAXEYSYDJQKU-UHFFFAOYSA-N	415.559	5.903	30	20	HKED	
Cc1ccc(C)c(-n2nc(C)c(/C=C\C(=O)c3ccc(C(=O)N(C)C)cc3)c2Cl)c1	792923986	KKBBPXZJGFHHFC-SEYXRHQNSA-N	421.928	5.049	30	20	HKED	
N#C[C@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1nc(-c2c(F)cccc2F)cs1	796806969	JTTNGZULWCONJY-ZBCRRDGASA-N	412.436	5.597	30	20	HKED	
C[C@@H](NC(=O)c1cc(F)c(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F	804194646	UNSPFDVWHDTWAE-MRVPVSSYSA-N	419.300	5.219	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCOC2=O)cc1)=C/c1cccc(C(F)(F)F)c1	806571981	SEGIAFJZFVTMOY-ANKWJQRPSA-N	401.384	5.504	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1nccc2ccccc12	811648180	MKNLPLFTURZXFN-UHFFFAOYSA-N	407.399	5.547	30	20	HKED	
Cc1nn(-c2ccccn2)c(C)c1/C=C/C(=O)c1c[nH]c2ccc(Br)cc12	811698421	QMTWDQYZXRXCRV-VQHVLOKHSA-N	421.298	5.024	30	20	HKED	
C=C(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S	814290717	KXQCFGJRMKEDBY-NDENLUEZSA-N	411.548	5.052	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](c1ccccc1)c1ncc[nH]1	814577808	SKYUFOBXGOZPMT-BJKOFHAPSA-N	421.504	5.318	30	20	HKED	
C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ncc(-c2ccc(Cl)cc2)o1	815477023	RYRYPJZPADPDGL-SNVBAGLBSA-N	421.762	5.198	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3cc(C)sc3C)n2)cc1	915100607	WXSIRWAWPNAHPJ-GOSISDBHSA-N	408.548	5.636	30	20	HKED	
N#C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1	917045626	YZENTLMZBHVOLI-FPPPDMRGSA-N	404.457	5.708	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140473	CRMGUHOCSKUQJP-RDTXWAMCSA-N	421.909	5.287	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1	1785752967	XBSAVPMLEFCMJH-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccc(F)cc4)CCC3)cc2)C1	1785803483	MSRVAWKEIRBQOR-GOTSBHOMSA-N	418.512	5.030	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3oc(C)nc3C)CCC2)cc1	1789626408	MKPKWWYQSAEHLZ-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(Cl)cc2)cc1	10832528	NUSQJIRZMJYYHE-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl	16095834	RVNAWYSPVFPHPH-KRWDZBQOSA-N	418.852	5.074	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(C[C@H](C)c3ccccc3)o2)c1C#N	27436238	LQPVYIBIEPOPSU-INIZCTEOSA-N	415.522	5.074	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl	107806847	HHGJSNRZXQAOMG-RTBURBONSA-N	403.869	5.450	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1ccc(Cl)cc1	107870234	KSCDDMCAYXSVPV-UHFFFAOYSA-N	405.885	5.669	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCSc2ccc(F)cc2)cc1	303018440	YVMIZGHZNGQGON-UHFFFAOYSA-N	420.509	5.592	30	20	HKED	
CCc1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cs1	303460149	LGEUNZFZBRNKME-AWEZNQCLSA-N	422.510	5.261	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1OCC	410001836	XEYBEUZRCFPJEY-UHFFFAOYSA-N	404.919	5.202	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(C#N)cc3Cl)c12	430375668	MGIWDHQBXNRMQM-UHFFFAOYSA-N	406.804	5.115	30	20	HKED	
N#CCSc1cccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1	430983934	AHXYSFSSMKWONT-UHFFFAOYSA-N	423.501	5.417	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)c1	431171363	RWNJIKHOIWMEKB-UHFFFAOYSA-N	411.490	5.007	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	431845537	PBQMNHXPOSCEOZ-UHFFFAOYSA-N	400.265	5.400	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1	431872064	YKLCHLBTJSDAFD-OXQOHEQNSA-N	419.447	5.423	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1F	437480751	WSFPVKQCQFQKIB-UHFFFAOYSA-N	414.440	5.327	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OC1CCCC1	438853299	OSJZJYBDCKEHEZ-GCJKJVERSA-N	421.541	5.422	30	20	HKED	
CCSc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1	440360744	SEGMCWOXBBBNLC-UHFFFAOYSA-N	417.490	5.040	30	20	HKED	
CCN(C(=O)CCC(=O)c1cc(Cl)sc1Cl)[C@H](C)c1ccc(C#N)cc1	445915057	ZNKXOAGZYTZQRM-GFCCVEGCSA-N	409.338	5.499	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)on2)c1	447465009	WLCPWIRSVSYRAG-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H](C)[C@@H]1c1cccc(F)c1	460385696	GTFJMSXRDCCUQB-YADARESESA-N	420.532	5.298	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	463873040	ALDKORKAEIDNDI-MRXNPFEDSA-N	402.425	5.337	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccoc1C(F)(F)F	464286826	RMYTWFUIXNEHKK-SNVBAGLBSA-N	405.216	5.351	30	20	HKED	
Cc1ccc(CC[C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	466207778	NJDKQOPVIQIPNZ-SFHVURJKSA-N	419.500	5.332	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)Nc3nc(C)c(SCC#N)s3)c2o1	468121558	QYCKAYSDZFRCJJ-UHFFFAOYSA-N	422.329	5.137	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCC(=O)c1ccc(Cl)cc1	471012100	MOAYYCZDOCEDBO-CQSZACIVSA-N	418.971	5.289	30	20	HKED	
N#CC1(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)CCCCC1	471119540	VZPSHWYWUGPXRA-UHFFFAOYSA-N	410.905	5.074	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	471874505	RSJAFWQLJPIENO-UEVCKROQSA-N	413.525	5.105	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)C(C)(C)C	474157406	XGKZOPFYISLHHW-QGZVFWFLSA-N	413.562	5.317	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	474418280	XXPZEPBZLZQJBJ-LBPRGKRZSA-N	409.939	5.201	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	475565845	XJQSOHBGFXWYNO-QHCPKHFHSA-N	406.526	5.583	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC)Cc1cccc(-c2ccncc2)c1	475569516	CSCSPARJMMQEQH-UHFFFAOYSA-N	413.565	6.655	30	20	HKED	
CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccc(F)cc1)c1cccnc1	475755055	LAYPKCDJDGNKPI-DEOSSOPVSA-N	415.512	5.664	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nncn1-c1ccc(C)c(C)c1	476165014	VVEFGTZOWSEXRA-UHFFFAOYSA-N	420.582	5.467	30	20	HKED	
Cc1coc(-c2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc2C)n1	478478023	HBIRMZQUBNAGDL-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1c1ccccc1	480281880	GTMJQCXNZJBSAE-GAJHUEQPSA-N	410.477	5.035	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCc2cccnc21	480543735	XMKCWBZCSNMMFP-XLIONFOSSA-N	408.571	5.655	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1cccc(Cl)c1	481374882	PJMYPHKFYWQAIP-GFCCVEGCSA-N	403.939	5.318	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc4c(s3)CCOC4)c2C#N)C1	481970047	XLZKCIUHJHRJIS-CYBMUJFWSA-N	400.569	5.157	30	20	HKED	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c12	483204446	RCSVHVNCFCOATE-SFHVURJKSA-N	423.501	5.044	30	20	HKED	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1	484269145	XQLIYWPRWOPIQS-UWJYYQICSA-N	411.477	5.205	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnc2ccccc12	484558416	CQXMVMFZAWXNNW-AWEZNQCLSA-N	405.429	5.435	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	484568440	PFSPXGULFXEKJA-KRWDZBQOSA-N	412.946	5.272	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1	487388158	IACFIQKGBOXLJN-IBGZPJMESA-N	404.489	5.056	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	488176497	KHBAVGGQIJNRHS-GOSISDBHSA-N	420.246	5.269	30	20	HKED	
Cc1ccc2ncc(C#N)c(OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2c1	488303541	WOFIKNUMCIBVQK-UHFFFAOYSA-N	420.683	5.393	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	489141426	YQOFYFBRGFYNAF-IOYBJCICSA-N	410.945	5.918	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c3c(C)noc3n2)cc1	496614695	ZHAMTIZNPLJKAK-KRWDZBQOSA-N	408.417	5.138	30	20	HKED	
N#CCCCOc1cccc(N[C@@H](c2ccc(Br)cc2)c2ccco2)c1	498754940	VOOGTZDDPQUWDG-NRFANRHFSA-N	411.299	5.926	30	20	HKED	
N#CC1(CCCOc2cccc(OCc3cccc(C(F)(F)F)c3)c2)CCOCC1	499975284	QAFYDWCWHQISPG-UHFFFAOYSA-N	419.443	5.764	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc([C@H]4CCCOC4)c3)n2)cc1	500467845	XWBZOLRGSSASLJ-PZJWPPBQSA-N	418.518	5.203	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)NC(=O)CC1CCCCC1	500769772	RUOZYOXKKBPIJL-GOSISDBHSA-N	419.525	5.073	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NC2CCOCC2)cc1	503226242	PWZOBEQBJCGEPR-INIZCTEOSA-N	410.543	5.173	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	505051184	ITZCHLUJCKXNJX-UHFFFAOYSA-N	409.917	6.011	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC(OC(F)F)CC2)cc1Cl	506480712	KTFUTGSTTFLRKF-GXOAENINSA-N	418.871	5.732	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)cc1	507726309	PBLHTHQWBWRLFI-UHFFFAOYSA-N	416.443	5.248	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1	509966788	CEVGEDQKOFGIRH-GOSISDBHSA-N	423.582	5.833	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	510025301	BRNJMFMLYKOYPP-GGAORHGYSA-N	419.912	5.505	30	20	HKED	
O=C(c1c[nH]c(C(F)(F)F)c1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	512072456	OBHNNISIQGBOJO-UHFFFAOYSA-N	408.317	5.153	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)c1nc(-c2ccccc2)cs1	512158434	DHUHIISNEZVPNR-UZLBHIALSA-N	417.534	5.237	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3c[nH]nc3-c3ccccc3F)cc2)cc1	513789244	FEVFSOBKRYKQLZ-UHFFFAOYSA-N	412.424	5.326	30	20	HKED	
CC(C)S(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)ccc2C#N)cc1	514113779	YLCCAVUZFUGUQL-UHFFFAOYSA-N	408.548	5.095	30	20	HKED	
CC[C@H]1C[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	514221711	FYBMVJAZVQHJTI-ZFWWWQNUSA-N	400.466	5.245	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C(C)C	515200079	HCOBBROHCTZNLY-GOSISDBHSA-N	420.582	5.298	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2cc(Cl)ccc2o1	515282445	CJULYXBIXIGONH-UHFFFAOYSA-N	403.825	5.706	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nn1-c1ccccc1	515625869	HHPQDMQRTMBMTL-UHFFFAOYSA-N	410.502	5.132	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)Cc1ccc(OC)cc1	518755895	QZXKMOQSCQNWKZ-MSOLQXFVSA-N	411.571	5.574	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	520197471	DZJULKIAHMWVMO-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCSc2ccc(F)cc21	521748532	VUGPWHFUWFFXJD-CJNGLKHVSA-N	401.532	5.436	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	524112324	UXLNDOCXRKKVLL-CABCVRRESA-N	406.473	5.774	30	20	HKED	
C=CCn1c(SCc2nc(O)c3ccc(Cl)cc3n2)nnc1-c1ccccc1C	531761428	XVSFSZFXEMADDQ-UHFFFAOYSA-N	423.929	5.034	30	20	HKED	
CC(C)c1ccc(OC2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)cc1	533486360	JMWLAULZTPDRRV-XMMPIXPASA-N	405.542	5.408	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)c1cccc(C(=O)c2ccccc2)c1	536419503	FSTFPGXITDXYSR-LJQANCHMSA-N	412.489	5.342	30	20	HKED	
COc1ccc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c(C)nc2c1	536714896	LGXMYWAJVPEQBV-FQEVSTJZSA-N	413.502	5.474	30	20	HKED	
Fc1cccc(-c2cnc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)o2)c1	537222159	XBFVNTPCJCGTSY-QGZVFWFLSA-N	418.312	5.893	30	20	HKED	
N#CC1(CCCSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)CCOCC1	537510521	NSIYSOSPZIUNGY-UHFFFAOYSA-N	422.529	5.266	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC1	537732757	XUAVTWILKSPOQZ-UHFFFAOYSA-N	416.569	5.911	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	538081452	CUNTVAQIOAGNOT-UHFFFAOYSA-N	421.504	5.350	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C#N)CCCC2	539293031	QNRJDNVZSASSBF-UHFFFAOYSA-N	401.513	5.160	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	543495254	WEEKENVDPQRXRJ-GBXCKJPGSA-N	416.452	5.140	30	20	HKED	
Cc1nc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2[nH]1	548977864	BMFAAXHQFUUVST-LJQANCHMSA-N	400.869	5.433	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Br)c1Cl	549053502	MMKSBZXVIHJOKU-UHFFFAOYSA-N	406.711	5.417	30	20	HKED	
C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1	549302832	VPZWCDVAWAUYOG-OAQYLSRUSA-N	424.980	5.088	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(s3)CCCCC4)n2)cc1	552044311	ZSXWCUCGYVQURL-QGZVFWFLSA-N	408.548	5.639	30	20	HKED	
C[C@@]12CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C[C@H]1C2(F)F	552964780	VVLOGFDOFYFBEM-UYAOXDASSA-N	402.828	5.121	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2F)c1	559534566	CPSRBJGYEBEHRT-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)c(F)c1	560767751	AXLQFAYHLBNJLN-XZOQPEGZSA-N	414.480	5.024	30	20	HKED	
C=C(C)CN(Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)Cc1ccc(CO)o1	561961145	DOFDTGHDUTXIOB-UHFFFAOYSA-N	424.928	5.256	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3nn(-c4ccccc4)c4c3CCC4)cc2)ccn1	568457009	UCOJDLFGHRDUFH-UHFFFAOYSA-N	407.477	5.032	30	20	HKED	
O=C(N[C@@H]1CC[C@H](F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	576304775	CEOZNBLLKOBNOX-APSLCQQGSA-N	415.393	5.116	30	20	HKED	
C[C@@H](N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1F	576363231	CEYGOZYVTPVMKS-HEYPFXNGSA-N	411.952	5.615	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	591840873	JTICFGYEGOKXJS-UHFFFAOYSA-N	424.316	5.606	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)o1	603997744	JODLQVURLHDTPD-FQEVSTJZSA-N	406.869	5.361	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)no1	608552816	RACBBNMDLOYRGV-IBGZPJMESA-N	410.477	5.363	30	20	HKED	
CCC[C@H](C#N)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	608815573	WBWKFFAXPRCXGU-MRXNPFEDSA-N	407.297	5.003	30	20	HKED	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CNc2cccc(C#N)c2)cs1	608903474	NAYQCDNDTPENTQ-UHFFFAOYSA-N	416.428	5.330	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1OC(F)F	609061990	PTCVNIZGBMUZNZ-UHFFFAOYSA-N	408.404	5.299	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1cccs1	609079182	OACCMKPYHNWNSD-QGZVFWFLSA-N	405.523	5.732	30	20	HKED	
COCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)sc2cccc(F)c12	609378168	YSTPSCADOITQBF-ZDUSSCGKSA-N	414.527	5.691	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1ccccc1	609404061	RPXZBNLBYREPKO-OALUTQOASA-N	423.582	5.267	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCOc2ccccc21	609422385	OMCIBEYHFZHNTF-IBGZPJMESA-N	413.477	5.347	30	20	HKED	
N#Cc1ccc(N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1C(F)(F)F	609449007	OOGMETDCZSZIFS-LJQANCHMSA-N	419.834	5.183	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1OC(F)F	609641992	QDXXIPWEZKUECV-INIZCTEOSA-N	422.431	5.230	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N	609930019	UFZFFBASEUWAJJ-SIFCLUCFSA-N	417.962	5.489	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)NC(C)(C)C	610129855	CCNPAZXKPGWUKY-OAQYLSRUSA-N	420.557	5.207	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	610166731	MIQMFOJRMOMFHU-GOSISDBHSA-N	408.571	5.498	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(C)(C)c1ccncc1	611261064	KXQKDTRXHOPDAC-UHFFFAOYSA-N	400.482	5.153	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	611871837	HGNGWCFCEHAMNL-IBGZPJMESA-N	405.885	5.395	30	20	HKED	
N#Cc1ccccc1/C=C/c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1	612899803	PJANOUPZWSPOHA-OUKQBFOZSA-N	410.408	5.170	30	20	HKED	
CCOc1ccc2c(c1)[C@H](NCc1cccc(OCc3ccccc3C#N)c1)CCO2	614101547	SETMXGLXHKNIOY-RUZDIDTESA-N	414.505	5.149	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(F)c(F)c1	681328331	HYFHVBNLRYBATM-KKSFZXQISA-N	411.452	5.312	30	20	HKED	
O=C(CCCCCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	681651428	DFVIDBJGZWRQJC-GASCZTMLSA-N	413.377	5.518	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	726481405	SEKYUQRGUHUXQG-UHFFFAOYSA-N	403.507	5.947	30	20	HKED	
COc1ccc(Cl)cc1NCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727102623	WHDGQVLVHJPWFN-HXUWFJFHSA-N	405.885	5.055	30	20	HKED	
C#CCOc1ccc(NC(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)cc1	731114823	OVZJSIRAEKNRDX-UHFFFAOYSA-N	417.509	5.230	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C\c1cc(Br)ccc1F	731335850	TUWGJGVUIGUQGI-OYVUYXNMSA-N	419.319	5.634	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1cnn(C(C)C)c1	732714413	RNRQNNYADANKQD-RUDMXATFSA-N	416.344	5.555	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)sc21	733254593	YUDXZHZAIDRIMU-MRXNPFEDSA-N	424.323	5.150	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	733621682	MITSVCWJGYUBNO-XMMPIXPASA-N	410.477	5.669	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C/c3ncc(-c4cccc(Br)c4)[nH]3)c2c1	734308199	WDEYKYGTGZGGAV-BQYQJAHWSA-N	422.282	5.225	30	20	HKED	
Cc1sc(NC(=O)C(C)(C)Sc2ccc(Br)cc2)c(C#N)c1C	735989569	IZUJFFWXUJMCIT-UHFFFAOYSA-N	409.374	5.509	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3nccs3)c2)cc1	737316925	PPKMQXCWQGKYKV-HXUWFJFHSA-N	419.506	5.239	30	20	HKED	
N#C[C@@H](C(=O)CC/C=C\c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	739154843	MLLBTTSFDKLKSK-NVTFYQKDSA-N	410.473	5.620	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	739156839	QWJBEBVWUOBADO-SWLSCSKDSA-N	421.369	5.820	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	739668634	HLLUGGGQGGXWNO-KSVUCXBSSA-N	414.509	5.190	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	742537182	IAMVZWIAQUIPAI-HTAPYJJXSA-N	400.453	5.329	30	20	HKED	
Cc1c(C(=O)/C=C\c2cccc(OCC#N)c2)cnn1-c1ccc(Cl)cc1Cl	743056250	SAVNGUDEHKXSJD-YVMONPNESA-N	412.276	5.286	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3ccc4ccccc4n3)SC2=S)cc1Cl	743283321	ZNHPOYDWKIHFCM-GIJQJNRQSA-N	407.907	5.166	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1	744034019	YECSPFDMBJPYNK-RGDDUWESSA-N	422.337	5.108	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1cc(C2CC2)nc2ccc(F)cc12	745594131	OXBFHSAHVVBGJV-UHFFFAOYSA-N	410.832	5.164	30	20	HKED	
COc1ccc(-c2ccc(/C=C\C(=O)c3c(C)nn(C(C)C)c3C)o2)c([N+](=O)[O-])c1	746346191	LZSSWQXJNNLPFX-YFHOEESVSA-N	409.442	5.154	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2coc3ccccc23)cs1	747706282	SXWBGAQFZALCTJ-FLIBITNWSA-N	422.893	6.123	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Oc3ccc(Oc4nccs4)cc3)cc2)nc1	750761175	RYNXCVKROPAEHS-UHFFFAOYSA-N	415.430	5.214	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CC=C(c3ccc(Cl)cc3)CC2)c1=S	751958934	IGSSYVJUNYYLRM-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
Cc1nc2ccc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)cc2s1	754911594	HYVGKGBACBFJLC-UHFFFAOYSA-N	420.350	5.341	30	20	HKED	
O=C(OCC(=O)c1cc(F)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	755295050	CBQNSIMOVHMTKV-UHFFFAOYSA-N	412.232	5.042	30	20	HKED	
C[C@@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	756244698	VNXSUOQJLPYBGA-SWLSCSKDSA-N	403.429	5.175	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)Cc2cccc(OCC#N)c2)c(C(F)(F)F)c1	760436949	UJOFAIXWQGAQMQ-AWEZNQCLSA-N	422.472	5.680	30	20	HKED	
COc1ccc2c(c1)OC[C@@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	760969603	PLINAQSZWYOADR-KBXCAEBGSA-N	424.909	5.215	30	20	HKED	
C[C@@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl	765138553	OEJGJFZKFQJPGD-HYBUGGRVSA-N	419.912	5.025	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Cl)nc2C(F)(F)F)sc2c1CCCCCC2	766424018	HWMWVGAGXGLGIF-UHFFFAOYSA-N	413.852	5.598	30	20	HKED	
Cn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C1CC1	771125841	YJUYLVNVSBMNGL-UHFFFAOYSA-N	407.861	5.259	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	772548237	ZCYXYODAZJPEOB-RPBOFIJWSA-N	423.516	5.104	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(OC)c3ccccc23)ccc1OC	772977830	CIGXQLYNZYCIHD-PKOBYXMFSA-N	404.510	5.389	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)c1	778294134	HCWUYOVSMKSICS-HXUWFJFHSA-N	411.486	5.233	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](F)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	778299528	XOKLUFVKZAGGAV-RDJZCZTQSA-N	419.308	5.874	30	20	HKED	
FC(F)(F)c1cc(NN=C2CC(c3ccc(Cl)cc3)C2)nc(-c2cccnc2)n1	783845250	CGBBTDIZHAVGON-UHFFFAOYSA-N	417.822	5.556	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)s1	797572352	YHGRZKRAWUXYPG-IKIYBABPSA-N	410.505	5.766	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl	800576558	PSBDAWRYNDMVPO-FQEVSTJZSA-N	414.981	5.989	30	20	HKED	
COc1cc(C=NOCC(=O)Nc2ccc(-c3ccccc3)cc2)cc(Cl)c1OC	823664976	VJGPGRGVMFUGHQ-UHFFFAOYSA-N	424.884	5.013	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C\c3ccc(-c4nc5ccccc5s4)o3)ccc2N1	915992895	FFYUIJMJTALVFZ-YFHOEESVSA-N	400.459	5.337	30	20	HKED	
FC(F)(F)c1ccccc1NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1	916259361	AURDLKGZYKSJDG-UHFFFAOYSA-N	421.426	5.458	30	20	HKED	
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	916881015	IRSKMCSHBIEKHR-JOCHJYFZSA-N	402.881	5.210	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1	916905528	DOJZXNAIOUUXPV-HTAPYJJXSA-N	420.553	5.224	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2sc3ccccc3c2s1	916921766	BFNSBDOZCJQMGE-AWEZNQCLSA-N	420.515	5.476	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(Cl)c1	916937592	DCBUINBSWGXYFH-CYBMUJFWSA-N	413.663	5.066	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccc(OC(F)F)cc2)cc1	916948680	JGXLYHDKNRXGNQ-QRWLVFNGSA-N	414.452	5.082	30	20	HKED	
Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	916997573	WUNNIDMZEIKXCF-INIZCTEOSA-N	417.317	5.681	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1	917669746	UKIPJHWWGFEFGQ-HSZRJFAPSA-N	412.880	5.433	30	20	HKED	
CCSCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	918486802	LRKBJYMODVCGGW-KRWDZBQOSA-N	407.322	5.208	30	20	HKED	
Cn1cc(/C=C\C(=O)c2cc(Cl)ccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1	920062986	MSFWITPDZSACBP-WTKPLQERSA-N	402.237	5.198	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1	920804496	SFTOPMNEHRUDFP-CYBMUJFWSA-N	422.378	5.526	30	20	HKED	
O=S(=O)(Nc1ccccc1F)c1cccc(N=Cc2c(O)ccc3ccccc23)c1	920945273	UNLRZXQHDWDKFN-UHFFFAOYSA-N	420.465	5.236	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cscc3OC)CCC2)cc1	1786103107	JNKNJXLNDIQWOB-UHFFFAOYSA-N	424.566	5.273	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C)n3)cc2)CCC1	1788349953	HLXARGPGEMHUMU-QFIPXVFZSA-N	417.553	5.215	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccccc2)cc1	10170426	BJXWRVWEJRSPHD-UHFFFAOYSA-O	401.964	5.302	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)o1	10957523	UYTOUDTVEGLPDT-UHFFFAOYSA-N	414.465	5.118	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1	14582285	LYRBIGOABHSWAD-UHFFFAOYSA-N	421.334	5.261	30	20	HKED	
Cc1c(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nc2c1CCC2	22121118	AFOPRAQOJJGCLS-LLVKDONJSA-N	406.338	5.177	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)nc(C)n1	41560970	KWIDUOXYNSXDQT-HNNXBMFYSA-N	416.428	5.034	30	20	HKED	
COc1ccccc1-c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(Cl)cc1	42848256	PAJCUTZSFSHJJB-UHFFFAOYSA-N	419.897	5.014	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)s2)c(C)c1	61068881	FRHGVMNPLYOQGW-OAHLLOKOSA-N	423.950	6.180	30	20	HKED	
C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cccc(CC#N)c1	97392197	KUJHDVWAAVWTJZ-HOTGVXAUSA-N	409.917	5.061	30	20	HKED	
Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	431818989	WABZGRIBUMTTIR-UHFFFAOYSA-N	401.514	5.015	30	20	HKED	
CCOc1ccc2nc(-c3ccc(NC(=O)N(C)CC(C)(C)C#N)cc3)sc2c1	432736831	GVZYHLJBVLLOEH-UHFFFAOYSA-N	408.527	5.375	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3cccc(C#N)c3C)c3cnn(C(C)C)c3n2)c(C)o1	432838173	BBRCHSDQTWWXPG-UHFFFAOYSA-N	413.481	5.321	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)C1CC1	434598273	TVHCRQNRWJOQGO-UHFFFAOYSA-N	420.365	5.212	30	20	HKED	
N#CCCn1cc(CN2CCCC[C@@H]2CCCc2ccccc2)c(-c2ccncc2)n1	435125852	ZHUHXVFGAAQUOU-RUZDIDTESA-N	413.569	5.236	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(C)C)c(O)cc1C	436849723	VAOOODBZFKTRQK-UHFFFAOYSA-N	401.466	5.444	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4)ns3)n2)cc1	437379221	XMWQIEUIANTWPH-QGZVFWFLSA-N	412.499	5.295	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)o1	438502233	OCKCUBUAJBIGFH-FCHUYYIVSA-N	414.509	5.769	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)NCC2CCC(C#N)CC2)c1C	441648823	QLASANFYJRWPQP-UHFFFAOYSA-N	420.344	5.247	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(COCC(F)(F)F)c1	441718514	NUIKTVOEQXXBPL-UHFFFAOYSA-N	424.422	5.234	30	20	HKED	
CCOc1c(F)cccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	442809216	JREWXYSEDVTJSQ-GFCCVEGCSA-N	402.397	5.116	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1c[nH]c2ccccc12	442881895	BQQZJEMPAJTNAY-QGZVFWFLSA-N	406.555	5.023	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1c(F)cc(Br)cc1F	445795957	XTUCTJYPNSJUMD-SNVBAGLBSA-N	411.271	5.231	30	20	HKED	
CC[C@@H](N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(C#N)cc1	447528471	JGGVQFQUZISOPI-AVRWGWEMSA-N	415.512	5.680	30	20	HKED	
COc1cc(CNc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1OC(F)F	463232466	STGIPJPMTNZRRP-UHFFFAOYSA-N	414.383	5.712	30	20	HKED	
CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C12CCCC2	464872256	HXZAYVOZSPRAKJ-FGZHOGPDSA-N	406.551	5.177	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(Oc4ccccn4)c3)c2)cc1	464906945	YOWIYYQERQTKKR-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
COc1ccc(CNC2CC(c3ccc(F)c(Cl)c3)C2)cc1OCCCC#N	466475501	UKTAADTZXIFVKC-UHFFFAOYSA-N	402.897	5.206	30	20	HKED	
N#CCSCCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1	466616348	MAJJBSYOERSDQM-UHFFFAOYSA-N	414.987	5.386	30	20	HKED	
CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	467021639	GKHKUZYINYOZFC-GGAORHGYSA-N	423.582	5.470	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	468126022	WXSYGNOMJUISAN-KRWDZBQOSA-N	415.541	5.046	30	20	HKED	
COc1ccc(Nc2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cs2)cc1	468643478	ZMUFIXKGNUJYOH-UHFFFAOYSA-N	420.538	5.065	30	20	HKED	
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470538814	XBVJEMTZGZUXDO-IBGZPJMESA-N	418.541	5.102	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCC4(CCCCCC4)C3)ccc21	470544418	VEYIDMIGMVVJIQ-UHFFFAOYSA-N	422.573	5.238	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](c2ccsc2)O1	470741823	BJPXDOBISGWCPU-QRQCRPRQSA-N	422.481	5.153	30	20	HKED	
N#CCCN(Cc1ccccn1)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1	471235961	SDOFQEQOLOVEHO-UHFFFAOYSA-N	415.928	5.049	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1	471354550	UHXWWZIYDAUDCT-UHFFFAOYSA-N	419.525	5.053	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c2ccccc21	473252797	DYMMVBSHDWOLQO-UHFFFAOYSA-N	418.394	5.311	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	474775712	SUMBYUIUDFWWMH-UHFFFAOYSA-N	418.493	5.606	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1C1CCCC1	475021840	DFJZJWMRAOCAFE-GOSISDBHSA-N	404.539	5.483	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	475601637	NSKNOWAQQYOMED-BRWVUGGUSA-N	415.990	6.248	30	20	HKED	
COC(=O)c1csc(-c2cccc(CNc3cc(C#N)ccc3C(F)(F)F)c2)n1	477796268	GXDNDKGMXHWDDB-UHFFFAOYSA-N	417.412	5.099	30	20	HKED	
CC(C)N(Cc1ccc(F)cc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479165056	MSWLAEMVFTZMNK-UHFFFAOYSA-N	409.505	5.008	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(F)(F)F)c(OC)c1	483876620	NGEZSHAFAWOIBZ-UHFFFAOYSA-N	410.440	5.102	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	484180663	OAYUPFJGYJNDMG-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
CCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](C)c1ccc(C#N)cc1	497619158	IMAHVURRIYPITD-QGZVFWFLSA-N	420.582	5.172	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCOc2ccccc21	499404190	NZACVFGPCSOKEJ-FQEVSTJZSA-N	400.503	5.353	30	20	HKED	
N#C[C@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1cc(C(F)(F)F)ccn1	499455160	MUCVYPDGFPIOPT-HNNXBMFYSA-N	423.822	5.350	30	20	HKED	
N#CCc1cccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1	499622800	SXPDWJOZWKPCJV-UHFFFAOYSA-N	410.304	5.297	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	502076406	ILBQTFDGZYQYRX-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)c1	502600743	FKMFQDXJQPUJDV-UHFFFAOYSA-N	417.465	5.328	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1NC(=O)CC(C)C	505302039	PPEUUQIXNIWMIL-SFHVURJKSA-N	418.324	5.281	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	505336436	BUWINKOBBVPUSR-BHIFYINESA-N	402.519	5.120	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	506478471	AJKSRRQVAPQDKF-IBGZPJMESA-N	406.272	5.773	30	20	HKED	
Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	506631197	CIMCOVSFCOWXMO-CYBMUJFWSA-N	424.888	5.534	30	20	HKED	
N#CC1(CCCSCc2csc(COc3ccc(Cl)cc3)n2)CCOCC1	507713982	NCBRHSAQGYNYGO-UHFFFAOYSA-N	423.003	5.709	30	20	HKED	
CCN(C(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccc1	507828828	WGUITXWDZUEUOP-GOSISDBHSA-N	415.493	5.213	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nc2ccccc2s1	513692870	WBXTXDKUFLUKEA-INIZCTEOSA-N	410.458	5.232	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2ccc(F)cc2)cc1	515654762	IGGUEZRFIDWWQG-UHFFFAOYSA-N	418.468	5.268	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	516899197	ACRKWLGDVSAKLB-OAHLLOKOSA-N	406.873	5.147	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccoc3)n2)nc2cc(Cl)ccc2c1=O	517450480	GRPCRPVKOTWLSI-UHFFFAOYSA-N	415.927	5.245	30	20	HKED	
CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	518516440	CMKJVHQNQBJOEG-FQEVSTJZSA-N	401.491	5.207	30	20	HKED	
Cc1cc(OCCCC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1Cl	518661839	IAGUZPIHVKBUNU-OAHLLOKOSA-N	402.947	5.698	30	20	HKED	
Cc1cc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n(CCC#N)n1	519445607	NMMDFVQECXPTCY-UHFFFAOYSA-N	405.310	5.393	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(SC3CCCCC3)cc2C)CC1	520697541	JUFKGLPILFDOKF-UHFFFAOYSA-N	401.620	5.582	30	20	HKED	
COc1cc(Br)ccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	521326955	KKZCQNFLCUVISC-LBPRGKRZSA-N	405.317	5.104	30	20	HKED	
COCCOc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1	521952843	GZJZTENEZUTFDO-UHFFFAOYSA-N	416.477	5.131	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Cl)cc3cccnc23)c1	523945325	ILUGTENFSRRKCO-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)cn1	525482144	CRSGHQNFFFGEOB-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
CC1CC(C#N)(C(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)C1	531558916	VFGDYAAGIFDNPZ-UHFFFAOYSA-N	413.477	5.222	30	20	HKED	
Cc1nc(N[C@@H](CCC#N)c2ccccc2)cc(N[C@@H](CCC#N)c2ccccc2)n1	533101583	KHBYYSPKEZBGBM-GOTSBHOMSA-N	410.525	5.699	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1	537372188	ZZEABTJEALPTKO-SFTDATJTSA-N	423.523	5.023	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)n1	539001378	NTIBBOCIWJEZMP-CYBMUJFWSA-N	419.428	5.246	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(-c3ccccc3OCC)c2)cc1	539018255	JBDPWRYCOXRXIN-UHFFFAOYSA-N	415.493	5.312	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)[C@H](OC1CCOCC1)c1ccccc1	540154711	VAIMKUKWBGXMPU-XJQONTHLSA-N	418.581	5.306	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1	541044363	ZXCSHCUYCLXWDX-IQGLISFBSA-N	403.526	5.490	30	20	HKED	
COc1cc(CN2CCC(CC#N)CC2)ccc1OCc1cccc(C(F)(F)F)c1	541918842	BXRVXNRUHWEVQH-UHFFFAOYSA-N	418.459	5.419	30	20	HKED	
Cc1nc(-c2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)ccc1C#N	545133275	MRQZBCFJLXEYQK-UHFFFAOYSA-N	424.247	5.473	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	546791940	VBNSSKLGLDEXOD-IBGZPJMESA-N	403.309	5.426	30	20	HKED	
CCC[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccn1	550143742	HZEVBIFPXUSYRF-HXUWFJFHSA-N	401.466	5.277	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1	554837018	KPQBURKVRNIPFE-CTNGQTDRSA-N	420.900	5.003	30	20	HKED	
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	559859154	LQPHAWONRJZJHR-YLJYHZDGSA-N	405.523	6.409	30	20	HKED	
COc1c(C)cc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl	560552915	WAYOVVLMIWIUOE-MRXNPFEDSA-N	411.933	5.413	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)c1cccc(C(=O)c2ccccc2)c1	560707303	VYBCMDMWPYALDK-QGZVFWFLSA-N	409.489	5.106	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C	562079601	IKHTUTZNEVFTMM-UHFFFAOYSA-N	423.483	5.159	30	20	HKED	
C=CCn1c(SCc2cscc2Br)nnc1-c1ccccc1OC	569183656	IXGUJYFXGIHTHP-UHFFFAOYSA-N	422.373	5.256	30	20	HKED	
C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	582823897	GOPSAVBQIZCGOR-OAHLLOKOSA-N	419.431	5.780	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(Sc2ccccc2)c1	595061284	CHOMSTQUYGLXSX-UHFFFAOYSA-N	408.548	5.053	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cncc(Br)c1	603532697	LBLBEACHZRRGPG-UHFFFAOYSA-N	424.273	5.010	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(-c4ccc(OC(C)C)cc4)n3)[nH]c12	605363573	KQWGRANJTBXSDN-KRWDZBQOSA-N	416.506	5.272	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Br)ccc1Cl	608945464	BGCDJYLFRXTNLY-KRWDZBQOSA-N	407.695	5.016	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2n[nH]cc2c1	609163876	BJARFHBVZTVZCD-FQEVSTJZSA-N	400.869	5.433	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1	609221844	DMIXGIGJGBXRKI-QGZVFWFLSA-N	419.912	6.060	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	609437185	USMGRQRLTJHGLF-XUWXXGDYSA-N	419.472	5.777	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CSc4ccccc43)c2)cc1	609807292	LOOWSYBVKHMTFL-JOCHJYFZSA-N	415.518	5.300	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)c2)cc1	609908827	BVUNVSGGKJPGGW-FQEVSTJZSA-N	400.453	5.194	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609981157	BZNICVLNWSDCQX-OAQYLSRUSA-N	405.885	5.622	30	20	HKED	
Cc1cc(O[C@@H](C)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)ccc1C(C)C	610053632	OTNOJCOYFBHYGL-IBGZPJMESA-N	416.525	5.199	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[nH]c2c1	610331063	HGIMPRIRAVEXAY-SFHVURJKSA-N	413.403	5.131	30	20	HKED	
CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1CCCCO1	610718805	MFWQBERYHMQNAX-QFIPXVFZSA-N	408.567	5.176	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(C#N)c1	610728510	ILFFBMQBXYSJHF-RDJZCZTQSA-N	404.539	5.454	30	20	HKED	
CC(C)(C)OCc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1	617511436	NJZPMKHVQUHUBN-UHFFFAOYSA-N	402.498	5.031	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728062296	HROOWNUYYMCOGJ-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
Cc1ccc(S[C@H](C(=O)NCc2ccc(OCC#N)cc2)c2ccccc2)c(C)c1	729970259	XPSXZZNKZODJOH-DEOSSOPVSA-N	416.546	5.356	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1	730954818	LJWLFILQIFIIMI-KRWDZBQOSA-N	419.575	6.540	30	20	HKED	
C#CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1	731111819	JOXMCMSFTSIHCI-UHFFFAOYSA-N	418.537	5.024	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)n2)cc1	731289309	UGOAMJCMDDWGAX-RJGXRXQPSA-N	419.509	5.815	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	733034084	VBDQZPFBAXYQIL-KUHUBIRLSA-N	401.482	5.728	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2occc2CSc2ccccc2)c1	733770139	DAEZSDKGWFXKER-IBGZPJMESA-N	406.507	5.183	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2nc(C)c(-c3ccccc3)s2)c1	733799403	JMWGIPXIPLTZCH-GOSISDBHSA-N	406.511	5.121	30	20	HKED	
CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)C	734701758	LYZBPQFUAXCMRD-PKTZIBPZSA-N	419.569	5.248	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1nc2cc(C(F)(F)F)ccc2s1	734965486	LIRJSDFVJZQOPP-IJLUTSLNSA-N	422.378	5.573	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)c1csc(-c2ccc(Br)s2)n1	738662249	ISTAKQRZVZRCRI-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
CC(=O)N[C@H](C)CCc1ccc(-c2csc(NN=C(C)c3ccccc3)n2)cc1	749263479	UEDPIGNEYARFPD-MRXNPFEDSA-N	406.555	5.103	30	20	HKED	
COc1ccccc1C1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1	749342354	AVPOJJMSKRHKCI-MRXNPFEDSA-N	408.910	5.380	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CC=C(c3ccc(Cl)cc3)CC2)c1=S	751959276	JCZMHFLRCPZNJJ-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)n2)cc1	755633619	DAWWAMNGFYLZTE-VUVZNRFTSA-N	419.462	5.007	30	20	HKED	
N#CC1CCC(COC(=O)c2oc3ccccc3c2CSc2ncccn2)CC1	755975157	PZPMWNGZDYCNHP-UHFFFAOYSA-N	407.495	5.002	30	20	HKED	
O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)(F)c1nccs1	756721776	JJLIJXAVFQOHBX-SECBINFHSA-N	405.266	5.101	30	20	HKED	
C#CC[C@@H](NCc1cc(Br)c(OC)c(Br)c1)c1ccccc1	756998068	QKWYISFWCAQBJR-QGZVFWFLSA-N	423.148	5.074	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C(C)=C\c1ccc(Cl)cc1	759208397	YDJGRZGISGGMKD-LPDYGMJQSA-N	417.292	5.061	30	20	HKED	
Cc1ccc(-c2cnc(CON=Cc3c(C)nn(Cc4ccccc4)c3C)o2)cc1	760443652	QSDAFQXLYQKUCO-UHFFFAOYSA-N	400.482	5.062	30	20	HKED	
CC[C@@H](OC1CCCCC1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	761108966	QTCGZXBILGXIIB-KBXCAEBGSA-N	404.482	5.392	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1/CCc2nc(O)ccc2C1=O	769614587	KZSNOCMOBLZKSE-SDXDJHTJSA-N	407.473	5.161	30	20	HKED	
Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1	772971786	ORURNPVPHSEBGU-GOSISDBHSA-N	420.921	5.761	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	776206663	ZFPYBGKHMNTUNC-CQSZACIVSA-N	403.351	5.167	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	776927759	VPRAYGMBADXLEU-UHFFFAOYSA-N	411.383	5.140	30	20	HKED	
C[C@@H](OC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccc(C#N)cc1	779217281	DZPGWNSVKUHGGE-LLVKDONJSA-N	415.218	5.033	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(Br)cc1	783730843	QJDRPNREDVCWCZ-UHFFFAOYSA-N	402.361	5.176	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(Cc4ccccc4F)CC3)n2)cc1	785884726	IHSZLKDPSPUOLX-SFHVURJKSA-N	406.482	5.157	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	786307319	LZYAJHXCLZLUIV-GMTAPVOTSA-N	413.713	5.159	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ncc(CN(C)C)s1	794709468	ZTHCAQGFVZNXAA-CMDGGOBGSA-N	403.960	5.186	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)cc1	809872705	LOYPJJOFDYLCIE-RPLLCQBOSA-N	423.516	5.344	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	815340798	OURXLFVWPGUOPX-JTQLQIEISA-N	402.294	5.217	30	20	HKED	
COc1ccc(C(C)=NNc2ncccn2)cc1CSc1nc2ccccc2s1	912973923	BOLVAYNIYZDTQS-UHFFFAOYSA-N	421.551	5.223	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)N[C@@H](C#N)c3ccc(Br)cc3)ccc2c1	913205689	GMRWASLOWRTHQB-BKEPZNJQSA-N	421.294	5.005	30	20	HKED	
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915351815	GXYNTQFFBXSVCM-JOCHJYFZSA-N	413.477	5.125	30	20	HKED	
COCCN(Cc1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353124	QXJXRAQDJCOBEJ-QFIPXVFZSA-N	405.523	5.084	30	20	HKED	
FC(F)(F)c1nnc(S)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	916303678	LIYALGVYBKQGKL-UHFFFAOYSA-N	407.204	5.035	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)c(Cl)c1	916884252	UXRLNJPRNFHBLX-LBPRGKRZSA-N	415.248	5.269	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1C(C)C	916904482	DULPDBYRKJPESX-NRFANRHFSA-N	415.493	5.439	30	20	HKED	
Cc1oc(-c2cccs2)nc1COC(=O)c1ccc(COc2ccccc2C#N)o1	917326826	AADYBGPLZBGQKR-UHFFFAOYSA-N	420.446	5.112	30	20	HKED	
COc1ccc2oc(C)c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c2c1	917775176	YQVGMXMWKSXHCP-UHFFFAOYSA-N	414.486	5.701	30	20	HKED	
CCn1c(O)nc2cc(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)ccc21	1556618333	LPCDKHXFWVPVID-UHFFFAOYSA-N	414.490	5.037	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(C)cc1C	10169029	DNEJLKGURKAAOS-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccccc2CC)cc1	10173366	IUHCZBSOHBFWLS-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2cc(C)ccc2C)cc1	22729644	JKLDELIEJKBBTN-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	24500398	DUJBBVLTNFYCFG-UHFFFAOYSA-N	409.489	5.540	30	20	HKED	
N#Cc1cccc(NC(=O)CSCCOC(c2ccccc2)c2ccccc2)c1	29682223	DHGXSWYPKCZARE-UHFFFAOYSA-N	402.519	5.036	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)o1	48161952	YTYGJVBICTVCCI-UHFFFAOYSA-N	415.493	5.430	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccc(Cl)c1	59822725	JNWAHIFNYYOFEW-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	63777159	ZGARPHZLTYFIDZ-UHFFFAOYSA-N	410.477	5.809	30	20	HKED	
Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cc(O)ccc2C)cc1	63851600	JIIQRTXCFVUBKO-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1scnc1C(F)(F)F	104406313	YDSNLKVRZSNEKL-UHFFFAOYSA-N	408.245	5.452	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1	195618171	POEXSXJQEFYWIY-UHFFFAOYSA-N	419.484	5.375	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2coc(-c3cccs3)n2)c1	237839640	SWQKZZCEHMDWOA-UHFFFAOYSA-N	401.491	5.144	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1Oc1ccccc1	302957112	OBXWHKTYBKPZAE-UHFFFAOYSA-N	421.456	6.099	30	20	HKED	
N#Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1	303053387	SDENVCVZDATURG-QHCPKHFHSA-N	419.322	5.159	30	20	HKED	
COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	303346280	MOLNKHSEPYFDEX-ROUUACIJSA-N	415.493	5.037	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)c1	303451073	JOXYSLOMSURNDM-RBUKOAKNSA-N	415.320	5.039	30	20	HKED	
Cc1c(C(=O)NCc2ccc(COCC(F)(F)F)cc2)sc2ccc(C#N)cc12	427989454	GVNQXCQTPPLSRE-UHFFFAOYSA-N	418.440	5.090	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)c2cccc(SCC#N)c2)cc1	429943879	GUBIWVXTGGSPGY-UHFFFAOYSA-N	402.519	5.153	30	20	HKED	
Cc1ccc2c(c1)CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2	431903935	QKGWMSVGFMDDPO-JOCHJYFZSA-N	401.897	5.852	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[C@H](c1ccccc1)C(F)(F)F	433141320	NYDZWKFMJCIOCX-NVXWUHKLSA-N	421.488	5.939	30	20	HKED	
CCOc1cccc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	434437366	NPYDQYDSHVOMTH-UHFFFAOYSA-N	416.546	5.222	30	20	HKED	
N#Cc1cccc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1	435035112	GNWHKDYWDOHQSZ-QGZVFWFLSA-N	409.561	5.151	30	20	HKED	
COc1ccc([C@@H](C)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	437045925	PSNSVVDOPPCMMI-BDJLRTHQSA-N	409.345	6.197	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)c1	438378114	YJMMZLXEGINPJL-UHFFFAOYSA-N	415.387	5.256	30	20	HKED	
C=C[C@H](CC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21)c1ccccc1	438636267	KGNYEQCCEQDZJI-BEFAXECRSA-N	400.316	5.091	30	20	HKED	
CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	438638709	SHPBTAJSQLVEFJ-LJQANCHMSA-N	402.420	5.012	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](C)Cc1c(C)noc1C)c1ccc(C(F)(F)F)cc1	440841339	IEQIXEZZBLTKNZ-BFUOFWGJSA-N	409.452	5.248	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)CC1	441676346	GLVOKKZUNCUJAC-UHFFFAOYSA-N	424.250	5.386	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(C(F)(F)F)cc1	442295101	BFJHLPBWHWHRRF-GOSISDBHSA-N	406.452	5.025	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc12	443837509	OEBBMBDTDIYAQJ-UHFFFAOYSA-N	404.495	5.070	30	20	HKED	
CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CCO[C@H](c2ccc(F)cc2)C1	444368693	YCJFIPUZZCLDFQ-RDPSFJRHSA-N	419.500	5.076	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C1CC1	447524430	QDQCPOBAVWYGDW-HNNXBMFYSA-N	410.445	5.464	30	20	HKED	
CC(=O)Nc1cc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)ccc1F	460339251	OBECOLRFIJIVSY-UHFFFAOYSA-N	421.859	5.156	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21	460566021	JMCCQEKCMKGHTC-WXFUMESZSA-N	413.569	5.003	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(OC)CC1	460793231	NGELBYPKKARTPJ-YKSBVNFPSA-N	412.578	5.006	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1cc(Cl)c(OCCC)c(OC)c1	461686999	NQWITZFEANLHSM-UHFFFAOYSA-N	401.894	5.083	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464472245	NYQKULTZBRNCFN-CQSZACIVSA-N	421.831	5.676	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(F)ccc2-c2ccoc2)cc1	470824480	HCOOFGNDCKUBIF-UHFFFAOYSA-N	404.441	5.152	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(C(F)(F)F)ccc3F)s2)cc1	471147895	OQBNJIMPEPYMGP-UHFFFAOYSA-N	405.376	5.016	30	20	HKED	
N#CCC[C@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)ccc1Cl)c1ccccc1	472624748	RZGRDRWKGFTMJX-NRFANRHFSA-N	417.896	5.107	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1	475537445	NQKRQVCIUHXCPY-CTNGQTDRSA-N	400.444	5.847	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(Cl)c2c(c1)OCCO2	475547310	GUNYOTSACIVIQB-UHFFFAOYSA-N	400.906	5.285	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	475570713	CSKHZBBOLQNSPU-IIBYNOLFSA-N	421.541	5.531	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C	476124581	ZNCHQIRARBPQEH-UHFFFAOYSA-N	418.541	5.467	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccc(OCC)cc2)no1	476131073	DCHIRCRFFRFHNL-UHFFFAOYSA-N	419.525	5.559	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	477668035	UUODRQMAMLVNAS-GFCCVEGCSA-N	417.412	5.107	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nccc3ccccc23)cc1C	483214296	XQARWQPOYYTZQB-XMMPIXPASA-N	404.469	5.573	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(CC#N)cc1)[C@H](C1CCCCC1)C2	483849064	MDBLUEYLAYNTEK-DEOSSOPVSA-N	403.526	5.300	30	20	HKED	
N#CCCC[C@@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1ccccc1	487211534	OTQCAXHIWHNNAN-GOSISDBHSA-N	411.552	5.188	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(C#N)c(Br)c2)c1C1CC1	487961442	WHTHWMPTGHHPCS-LLVKDONJSA-N	402.296	5.010	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3c[nH]cc3-c3ccccc3F)c2)c1	494306732	DLPCNXIBRAPJAY-UHFFFAOYSA-N	411.436	5.524	30	20	HKED	
CC1(C)C(=O)Nc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc21	496029251	QNZNDINTVQPXIK-OAHLLOKOSA-N	421.909	5.183	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](c4cccc(Cl)c4)C3)o2)cc1	496733217	CLDFTVRPEXLHPW-GOSISDBHSA-N	406.869	5.013	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c(Cl)cccc1Cl	499810058	SHXRZVMGGXONEM-OZVIIMIRSA-N	413.226	5.497	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)c2)cc1	501477128	LTVNBFOAPOCAPG-NHCUHLMSSA-N	416.443	5.639	30	20	HKED	
Cc1cc(C(=O)Nc2c(F)cccc2Oc2ccccc2)nn1-c1cccc(C#N)c1	503153551	SFIKEGJMLRQBNX-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	503233541	SCJWPIZBAJJVPB-CQSZACIVSA-N	423.538	5.508	30	20	HKED	
CCCc1noc2nc(CC)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12	503317415	DDYMZYROSDGVEI-CQSZACIVSA-N	408.527	5.384	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1	509546415	YIRJDBOQRADVMM-SFHVURJKSA-N	400.821	5.202	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)[nH]c(C)c1C(C)=O	510268790	OUQMXJRVAFVFMT-UHFFFAOYSA-N	401.466	5.313	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	516136188	YDJSZZYNUAXEGF-IERDGZPVSA-N	402.519	5.497	30	20	HKED	
C=CCc1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc(OC)c1OC	517459923	YPKKUJJXKRLZFR-JOCHJYFZSA-N	404.510	5.281	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	517656007	JKYRRPYGQDDYJH-UHFFFAOYSA-N	405.885	5.776	30	20	HKED	
CCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1OC	518709158	KRRYUVROFRCSHR-GOSISDBHSA-N	400.906	5.039	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1Cl	519798947	VJPNEQYQEPLEIJ-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCCCC1	520170143	CJEQATNAIHKOOQ-UHFFFAOYSA-N	404.558	5.629	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	520171043	GWSIBEUFXWAJBX-UHFFFAOYSA-N	407.848	5.503	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COc2cccc(F)c2)c1	520476852	RUCKFQIVNSDATB-UHFFFAOYSA-N	417.484	5.719	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl	521722622	CPHZMTIEVHANNY-GFCCVEGCSA-N	411.379	5.976	30	20	HKED	
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	524207194	YBTSLYIYKBHKSP-KRWDZBQOSA-N	404.539	5.438	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1ccccc1OC	524215113	RAGNTEJBCCMULY-UHFFFAOYSA-N	424.551	5.457	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	524474484	UZOFUXULIUVFQW-LJQANCHMSA-N	409.470	5.237	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC(n3cc(Br)cn3)CC2)cc1	532551221	JKEUDQXKCOLLCY-UHFFFAOYSA-N	421.342	5.021	30	20	HKED	
CC(C)(C)c1nn(CC/C=C/c2ccc(Br)cc2)c(O)c1CCC#N	534632680	LAUVGKBNEKUEDL-QPJJXVBHSA-N	402.336	5.208	30	20	HKED	
CCN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCSc2ccc(Br)cc21	535351332	WDNIRQIVLZWMEZ-GOSISDBHSA-N	415.356	5.214	30	20	HKED	
C=C[C@@H](CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1)c1ccccc1	535459388	KGIUTCAYQHLCSJ-INIZCTEOSA-N	407.901	5.241	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	536124096	LXCUTSXPQNPXKE-LJQANCHMSA-N	414.505	5.158	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1Cl	536373359	CPQVRGFVFUOKKX-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1	537012379	NWGLWVOPXRBXBK-LJQANCHMSA-N	412.537	5.606	30	20	HKED	
Cc1ccc(Nc2nnc(SCCCC3(C#N)CCOCC3)s2)cc1Cl	538570002	MEAMZXLSYHAXQO-UHFFFAOYSA-N	408.980	5.436	30	20	HKED	
CCCC[C@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1	539497793	XXZFBNAIEKGDNV-DVECYGJZSA-N	404.558	5.007	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1ccc(C2(C#N)CC2)cc1	540735361	GSZGXVRHXLWTQP-UHFFFAOYSA-N	415.306	5.194	30	20	HKED	
N#Cc1ccc(OCc2cccc(-c3nc(-c4cc(O)nc5ccccc45)no3)c2)cc1	554844958	SZVALKJMZAZOIH-UHFFFAOYSA-N	420.428	5.108	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)cc1	556321170	VPSYZINSNVWRRD-CLJLJLNGSA-N	424.500	5.593	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C	557020393	YKPFPJQJEZKJNS-UHFFFAOYSA-N	419.978	5.476	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(F)cc1	557216093	BRPSLIQOUQCAET-AWEZNQCLSA-N	407.474	5.174	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1cc(C(F)(F)F)ccn1	558671593	DQFRFWCSTUXTRF-CQSZACIVSA-N	417.774	5.431	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CC1(C(F)(F)F)CC1	569638190	PXRDQNPTRDHDAC-UHFFFAOYSA-N	407.276	5.415	30	20	HKED	
N#Cc1ccc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cc1	603749214	ZQSZVCFGUQZKJD-HXUWFJFHSA-N	407.267	5.080	30	20	HKED	
N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c(Cl)c1	603908439	RGQCZLVSSQBVBS-KRWDZBQOSA-N	409.700	5.261	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cc(-c4cccc(Cl)c4)no3)n2)cc1	604528110	WMOGTHUTBPSTNQ-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2)no1	608552770	JHFIASIPLXKMJG-IBGZPJMESA-N	410.477	5.363	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1N1CCCCC1	608892685	DUDBETBLGVCYLR-UHFFFAOYSA-N	408.521	5.378	30	20	HKED	
CC(C)[C@H](C)N1Cc2cccc(N[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c2C1	609041040	BMZMQHQSOSGWIU-CVEARBPZSA-N	410.949	5.011	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	609643820	RYLIZCPWRDJWCB-UHFFFAOYSA-N	419.484	5.760	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	609669342	MGAVFIGBFBFCPI-RKDXNWHRSA-N	405.264	5.293	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncc(C(C)C)n2C(C)C)c1	610034020	LALYTIWNKYTRSP-IBGZPJMESA-N	412.603	5.632	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	611384954	CFYZANNHGMQDJA-AWEZNQCLSA-N	415.471	5.334	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cn1)c1ccccc1	613290562	GIPNRLKPFXXDNA-KBXCAEBGSA-N	411.383	5.125	30	20	HKED	
C[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1cccc(C#N)c1	616044494	QLDPDCRTCAOFJE-OPAMFIHVSA-N	417.488	5.085	30	20	HKED	
C=CCn1c(SCc2sccc2Br)nnc1-c1ccccc1OC	620229904	XBFMTZLGGHGNLF-UHFFFAOYSA-N	422.373	5.256	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc2ccccc2o1	642281396	CAVZCOCBTREFDM-IBGZPJMESA-N	424.485	5.258	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1CC(C)C	677378186	ZYPRRTJYXFMLLS-CYBMUJFWSA-N	420.460	5.220	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1OC1CCCC1	680168062	LHIUINPBRDCECZ-INIZCTEOSA-N	410.470	5.255	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2Cc3ccccc3-c3ccccc3C2)c1=S	726185498	OWPJSPYFUKYJRS-UHFFFAOYSA-N	414.534	5.500	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cn(C)c3ccccc23)cs1	726740692	OPFPBTDLMZYBBN-RAXLEYEMSA-N	415.518	5.524	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CCCOc2cccc(C(C)=O)c2)c1	728181944	LSQQWHKSYCLMSN-UHFFFAOYSA-N	417.530	5.324	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cc(Cl)c1O	728441752	PHPFWSLLCMFQTB-BQYQJAHWSA-N	403.862	5.521	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=S)Nc1ccccc1C#N	730155470	IQZYGONECFMURI-ZDUSSCGKSA-N	412.971	5.691	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc2ccccc12	731073732	YRSSYYJVFQELPJ-OAHLLOKOSA-N	424.547	5.020	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	731288112	PQNCPNQEJJOYRJ-SGNDLWITSA-N	404.469	5.444	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)N[C@H](C)c1ccc(Cl)cc1Cl	731320506	KLRFEQGFVNMEJU-CHWSQXEVSA-N	424.422	6.435	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)c(C#N)c2n1CCC2	731937543	IWWQCVJOUSATLH-TWGQIWQCSA-N	423.925	5.199	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3nc(-c4ccccc4)cs3)c(Cl)nc21	732571587	SUQLWECADODMNS-CMDGGOBGSA-N	408.914	5.685	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2[C@H](CC)c2ccccc2)c1	733804888	KVHUQLZMAWJGNJ-GMKZXUHWSA-N	405.542	5.235	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(-c3c(F)cccc3F)o2)S1	734366925	DPAOLHLNVZZJAL-WOJGMQOQSA-N	410.445	5.733	30	20	HKED	
C=CC[C@@H](NC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccncc1	734654727	XCSOTOJBAKHMCQ-YNOQERFCSA-N	409.533	5.295	30	20	HKED	
C[C@@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccccc1Cl	735320595	ZTOGQWZJQACVRX-CYBMUJFWSA-N	409.338	5.006	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)nc2ccccc21	735764653	CWALUZVLJHAZOH-OFHLLDISSA-N	417.940	5.452	30	20	HKED	
Cc1ccsc1C(Cc1ccccc1)=NNc1ccc(S(=O)(=O)C(F)F)cc1	735971587	MTWYZXJVBYYQKN-UHFFFAOYSA-N	420.506	5.112	30	20	HKED	
CCOc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC(F)F	740011682	QXQJGUDBDXBVOU-UHFFFAOYSA-N	414.477	5.577	30	20	HKED	
N#Cc1cccc(COc2cccc([C@H]3NC(=O)c4sc5ccccc5c4N3)c2)c1	742444559	ZSYJPVDQGLCBRL-HSZRJFAPSA-N	411.486	5.206	30	20	HKED	
Cc1ccc(Cl)c2c1NC(=O)C2=NNc1nc2cc(C(F)(F)F)ccc2s1	743445516	YNXZPYDSYATFOD-UHFFFAOYSA-N	410.808	5.045	30	20	HKED	
C=CC[C@H](NC(=O)NCc1ccc(N(CC)c2ccccc2)cc1)c1ccncc1	745826728	CZKBIYSUXICIJI-DEOSSOPVSA-N	400.526	5.356	30	20	HKED	
COc1ccc(CCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC)c1	754532597	WSIRUNMLHCZMSB-INIZCTEOSA-N	414.914	5.166	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccn3)s2)CCc2sc(Br)cc21	754687877	OBFAAWFIQLSXHS-JXMROGBWSA-N	403.326	5.242	30	20	HKED	
CC(=O)CC(C)(C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	755750154	FIWKLUDCOXUKBR-CQSZACIVSA-N	409.338	5.689	30	20	HKED	
C#CC[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	757578292	KBISWUVTSSGRGR-LJQANCHMSA-N	413.304	5.462	30	20	HKED	
N#CCOc1ccc(CNC(=O)c2cc(Cl)ccc2Sc2ccccc2)cc1	759778524	PXPSTVRDKUAGKE-UHFFFAOYSA-N	408.910	5.324	30	20	HKED	
N#C[C@@H](C(=O)/C=C\SCc1ccco1)C(=O)Nc1ccccc1Oc1ccccc1	759833621	JQVFFFGJJOLQBT-IFMUVIIVSA-N	418.474	5.166	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc21	767599228	VNMJXJMJURJVQL-XMMPIXPASA-N	418.500	5.853	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1	775623684	BFIAIZZPMLDVQG-UHFFFAOYSA-N	421.950	5.256	30	20	HKED	
CN(C(=S)Nc1ccccc1C#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	776266676	HBAJORNYWMJJCW-MJGOQNOKSA-N	403.473	5.542	30	20	HKED	
Cc1ncsc1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	777298132	WEUCYXYOPIPIPY-DSYXLKISSA-N	420.346	5.772	30	20	HKED	
COc1cc(O)c(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC	779596553	XNHTXDJSIPQRDF-UHFFFAOYSA-N	424.884	5.126	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2)nc1C	780306054	SFLLKANTWXRESA-JOCHJYFZSA-N	411.505	5.143	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F	780667656	KPADUHLQEUCIJE-VGSWGCGISA-N	403.457	5.222	30	20	HKED	
COc1cc(C=NOCc2cc(-c3c(OC)ccc4ccccc34)no2)cc(OC)c1	794727315	ITELTQKPTGZUQP-UHFFFAOYSA-N	418.449	5.071	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C/Sc2cc(F)ccc2F)cc1	797834655	ONQYEXMIORRQRR-BQYQJAHWSA-N	412.383	5.033	30	20	HKED	
CC(C)c1ccccc1N(C(=O)/C=C/c1ccccc1C#N)c1nc2ccccc2s1	799709410	USXIOJLIXWEJMZ-FOCLMDBBSA-N	423.541	6.669	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=S)Nc3ccc(C#N)c(Cl)c3)c2)cn1	800827746	OCGPMMZXYQDHCX-UHFFFAOYSA-N	408.914	5.400	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Br)c2Cl)c1	801947436	VBYRQAOZHHSEBX-ZDUSSCGKSA-N	422.710	5.105	30	20	HKED	
CN1CCC[C@@H](CNc2nc(Cl)c(C#N)s2)[C@@H]1c1ccc(C(F)(F)F)cc1	804463795	JBUITXYHGWKTTE-WFASDCNBSA-N	414.884	5.182	30	20	HKED	
Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)ccc12	805351898	PSTQBMRFIGESMD-UHFFFAOYSA-N	424.456	5.236	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	805859546	RMFDNAPDVDXTSR-MRXNPFEDSA-N	422.893	5.626	30	20	HKED	
CCN(c1ccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1)C(C)C	812454408	GSKIOFFZQNPXSU-NRFANRHFSA-N	418.566	5.599	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1OCCc2sccc21	813866176	LMWRGQMMWQPQLD-YROCYRMSSA-N	417.534	5.228	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)c3ccccc3n2)cc1OC	856434227	VVKPWZJOTLHEAU-UHFFFAOYSA-N	409.445	5.043	30	20	HKED	
CN(C)C(=O)c1cccc(CNc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1	864031213	XCOOFMAKESFEJJ-UHFFFAOYSA-N	422.344	5.290	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	914492283	VSYRYFIZJKPZHE-SREVYHEPSA-N	412.333	5.268	30	20	HKED	
C=CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(C)C	914683636	WCFIBNBRCWKHBX-UHFFFAOYSA-N	404.850	5.086	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cccnc2Oc2ccccc2)cc1OC	915043801	YFZFSFKGWOHGBV-OWBHPGMISA-N	402.450	5.099	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=S)NCCSCc1ccccc1C#N	915996304	RMPSEIBGNJKCBY-UHFFFAOYSA-N	411.640	6.025	30	20	HKED	
CC(C)CCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1	916546398	OWTGUMIYTOFMNZ-UHFFFAOYSA-N	414.962	5.531	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916590720	IZOBVHJFRMRYCC-ZHRRBRCNSA-N	403.457	5.372	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1[C@@H](C)c1ccccc1	916884809	HEWGDFSPZXMLHP-AOMKIAJQSA-N	419.912	5.329	30	20	HKED	
N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc2cc(Cl)ccc2s1	917046843	TXZRQDHPTUMKBG-MRXNPFEDSA-N	421.909	5.804	30	20	HKED	
CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=S)Nc1ccccc1C#N	917597358	RYTSGYKWNUKTLJ-UHFFFAOYSA-N	406.382	6.110	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCS3)cc2)CCC1	1792009693	SEYQHXDAAYUAFY-IBGZPJMESA-N	400.588	5.009	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1	1822980043	PUPGVRJOGHHPQD-CYFREDJKSA-N	412.578	5.141	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(C)c2)cc1	10167404	IMBVLUACIMDPPI-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1	23603307	ZVUAQJNAJHRKHR-UHFFFAOYSA-O	420.602	5.576	30	20	HKED	
CC(C)OCc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)oc2ccccc12	48828776	OMMFQVUKWMCPNG-HNNXBMFYSA-N	402.372	5.262	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(OCCc2ccccc2)CC1	195718665	ZXRCLGJNYSXPBG-UHFFFAOYSA-N	409.892	5.127	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1CCc1ccccc1	303367560	IYYMCPWIUPUAJB-PZJWPPBQSA-N	407.583	5.117	30	20	HKED	
CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)c1cccnc1	303745294	ZNWMXSZVTNLVQJ-IBGZPJMESA-N	414.509	5.342	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)N(CCC#N)Cc3ccco3)c(C)c2)c1	426093747	NLGVQUXCUQOYLV-UHFFFAOYSA-N	403.482	5.423	30	20	HKED	
FC(F)(F)C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1	437036255	UNKNPJKVLXPIJR-CQSZACIVSA-N	422.335	5.315	30	20	HKED	
N#Cc1csc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1	437567415	LQLGOGVUPPYYFL-UHFFFAOYSA-N	407.539	5.122	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)cc1OC	439879620	ZEYNTKWZYJXDDF-UHFFFAOYSA-N	419.477	5.100	30	20	HKED	
N#CC1CCC(CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1	441144691	GMPZKDCBCTZBDB-UHFFFAOYSA-N	422.525	5.924	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1	441560687	AAULQURSXFEJSW-QGZVFWFLSA-N	402.416	5.603	30	20	HKED	
CCN(CCC#N)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	445013853	KZNPLANAGKDPFW-UHFFFAOYSA-N	407.927	5.049	30	20	HKED	
C=CCc1cc(CN[C@@H](c2cccc(OC)c2)c2ccccc2Cl)cc(OC)c1O	462730004	DZGGNQKCHHCERN-DEOSSOPVSA-N	423.940	5.671	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccccc3NCc3ccc(Cl)cc3)cc2)CC1	462832442	LGFDRZWCUVAORO-UHFFFAOYSA-N	401.897	5.760	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)CC(=O)c1ccccc1F	463138234	BXQMFBPJAWSYJV-KRWDZBQOSA-N	416.452	5.646	30	20	HKED	
C=CCOCCCC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	464079914	WKHZOJGXTUDWOD-CYBMUJFWSA-N	423.376	5.041	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)c1sc2ccccc2c1Br	464139003	QBWCYKKWGVFCFD-FQEVSTJZSA-N	413.340	5.309	30	20	HKED	
COc1ccc2ccccc2c1CN(C(=O)NCc1ccc(C#N)cc1)C1CCCC1	465524166	QUOVMFJCUPQWJN-UHFFFAOYSA-N	413.521	5.374	30	20	HKED	
C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1	475092776	IJHWACNXWIEIHY-GIVMSGLBSA-N	401.963	5.140	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc(NC(=O)c2ccco2)cc1C	476137007	GWLUMRJSRLKJRF-UHFFFAOYSA-N	408.523	6.006	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N(Cc2csc(Br)c2)C2CC2)cc1	476415985	DYKUDPFFZWVBPM-UHFFFAOYSA-N	403.345	5.117	30	20	HKED	
COCCN(C(=O)Nc1cc(C#N)ccc1C)[C@@H](C)c1cccc(C(F)(F)F)c1	476796879	YFOYTTXMDWSBCJ-HNNXBMFYSA-N	405.420	5.127	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2C)nnc1-c1ccccc1C	481334551	BADFDKVDOXGNGI-RTBURBONSA-N	420.582	5.106	30	20	HKED	
N#CCCC[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1	487503288	PXHLJSZKJSROPV-FQEVSTJZSA-N	407.901	5.479	30	20	HKED	
Cc1cc(CN2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)ccc1C#N	488995862	JXFBHZRTXJZGBP-LJQANCHMSA-N	423.314	5.016	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(C(F)(F)F)cs1	489913820	IDISNBVZOMUAGT-GFCCVEGCSA-N	417.412	5.317	30	20	HKED	
C=C(CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1	490144239	OOZXDUFGFUFIFA-QHCPKHFHSA-N	411.954	5.136	30	20	HKED	
CC(C)CCn1ncc(NC(=O)c2occc2COc2cccc(C#N)c2)c1C(C)C	490201516	IKBNZAWPPWGMOC-UHFFFAOYSA-N	420.513	5.349	30	20	HKED	
CC[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(OC)cc1	490964229	JKYMARBSPPJFLI-NRFANRHFSA-N	402.519	5.599	30	20	HKED	
Cc1onc(CC(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)c1C#N	499654766	YWHXVMSNSCROOG-UHFFFAOYSA-N	420.227	5.274	30	20	HKED	
C=CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	500294377	XQIVUMQYVWUSPZ-UHFFFAOYSA-N	419.506	5.430	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1	501035228	GQWGDCOJGKRMGB-LJQANCHMSA-N	421.969	5.075	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1	503408121	RFXBMQYQFARWBL-MZNJEOGPSA-N	424.566	5.740	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	504907741	GQOPFPYRNKGTFI-WMZOPIPTSA-N	421.394	5.070	30	20	HKED	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1Cl	505136286	NERAPWMSNQRLJW-CYBMUJFWSA-N	420.315	5.098	30	20	HKED	
CCn1c(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc2cc(F)ccc21	505873745	AKTJGEQFANTKOH-KRWDZBQOSA-N	419.344	5.607	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nc2ccccc2o1	510251531	CVZNGZDURWKFFD-UHFFFAOYSA-N	415.474	5.531	30	20	HKED	
CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)c1ccc(C#N)cc1	510423259	CTRNLGHNFQJEQK-UHFFFAOYSA-N	416.506	5.415	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Br)ccc1Cl	511152590	BZMCLTMJTGLVJQ-UHFFFAOYSA-N	417.715	5.955	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1	513535223	UPPRTLCCYZXBHX-XMMPIXPASA-N	414.480	5.124	30	20	HKED	
N#CCc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1	514059139	JXHHIYYRVDGNLZ-UHFFFAOYSA-N	404.901	5.113	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc21	515540248	RHNGWYQFBDXTGU-MRXNPFEDSA-N	406.436	5.532	30	20	HKED	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	518683138	JTYUWUQLIVKVIG-SFHVURJKSA-N	410.587	5.054	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccco3)C3CCCC3)cc2)c1	521899641	HNELZIRBUDZUGQ-UHFFFAOYSA-N	401.466	5.920	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1	522647053	SVDXMENIWDFVPC-HXPMCKFVSA-N	408.354	5.248	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1	524438699	RRQIRQCCZQYJPU-AOMKIAJQSA-N	415.493	5.484	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1	524993239	KIFNCLYFTKYYMM-UHFFFAOYSA-N	400.544	5.082	30	20	HKED	
Cc1nccn1-c1ccc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1	531018277	VYXPVJFUNLBNNG-FQEVSTJZSA-N	422.532	5.482	30	20	HKED	
COc1ccc(OC(F)F)c(CNCc2cccc(OCc3ccccc3C#N)c2)c1	531789726	RXBARUZUKNYCKA-UHFFFAOYSA-N	424.447	5.037	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)cc2)CC1	539621263	NAVOMRSUKUHZBB-UHFFFAOYSA-N	415.880	5.400	30	20	HKED	
CCSc1ccc([C@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	540400039	YEPQSERSNVPUNO-SJORKVTESA-N	413.612	5.340	30	20	HKED	
CC(C)OC(=O)Cc1nc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	542942119	MIALNZXEDPPOMB-QGZVFWFLSA-N	419.550	5.027	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](CC)c2ccc(OC)cc2)cc1OC	551224301	DKDUNWCGXSKCKD-IBGZPJMESA-N	420.347	5.272	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21	554206879	RVGJWNCWTNVPAH-RQGSJKACSA-N	405.567	5.738	30	20	HKED	
C=C[C@@](C)(CCOC)c1nc([C@@H](Oc2ccc(Br)cc2)C(C)C)no1	554833231	OASYYXKDDMGALS-LPHOPBHVSA-N	409.324	5.088	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccccc3OCc3ccccc3)no2)cc1	573958982	DOUZGNZQFLTBKG-NRFANRHFSA-N	406.445	5.037	30	20	HKED	
N#CCCn1cc(CN(CCc2ccccc2)Cc2ccncc2)c(-c2ccccc2)n1	583349049	RFHPEUZJAZCCHC-UHFFFAOYSA-N	421.548	5.104	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1	595739120	GWNDROFRLJAXLI-FQEVSTJZSA-N	417.553	5.333	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	601186512	ZMOHFKROJWIIRW-AREMUKBSSA-N	420.516	5.722	30	20	HKED	
CCOc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C	603627470	ULZFLIQWESSBDE-CQSZACIVSA-N	404.413	5.512	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2SCc2ccco2)sc1SCC#N	603775474	INECWPYPGMRMIL-UHFFFAOYSA-N	401.538	5.205	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C2CC2)o1	603877457	JZOYVUFQJNWEKF-HRAATJIYSA-N	416.477	5.251	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2ccc(Cl)cc2)cc1	604003541	LTXBPKFCYVDBNV-UHFFFAOYSA-N	418.924	5.946	30	20	HKED	
O=C(NCc1nc(C(F)(F)F)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	607118470	FKKMDWHYJFSVER-UHFFFAOYSA-N	422.272	5.130	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(F)cc3C(F)(F)F)c2)c1	609643897	DXFYGQQSWFLNCX-UHFFFAOYSA-N	414.358	5.547	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCCCC2)c1	610144089	SAFCTSDZFOVWLP-UHFFFAOYSA-N	404.558	5.629	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(Cl)c2)c1	610220526	IHGPDFBFXHMBOI-UHFFFAOYSA-N	404.297	5.492	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)s2)c(C)c1	610598556	UBWCSUOFRAICSZ-SFTDATJTSA-N	401.535	5.339	30	20	HKED	
CC(C)n1c([C@H](C)NC(=O)c2c(Cl)cc(C#N)cc2Cl)nc2ccccc21	611214919	CBPCMCNUDGZWPR-LBPRGKRZSA-N	401.297	5.287	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)c1	611356187	VCHITXMZIMNFSC-QZTJIDSGSA-N	424.928	5.283	30	20	HKED	
CCCOc1c(Br)cc(CNCc2ccc(C#N)c(Cl)c2)cc1OC	619748524	NLRLAVPQJZGHJM-UHFFFAOYSA-N	423.738	5.061	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2SC)nnc1-c1cccc(C)c1	644492648	FONFIZRQXXIUGN-UHFFFAOYSA-N	424.595	5.282	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccnc1Oc1ccccc1	672636134	QVOVIRXPSIRBGB-UHFFFAOYSA-N	405.502	5.262	30	20	HKED	
Cc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)cc1F	675294578	GFXTZZBNNVIERG-RKDXNWHRSA-N	405.741	5.427	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nc2cc(F)ccc2s1	677564353	HSOCONWZMIHXPV-SFHVURJKSA-N	415.449	5.178	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1ccc2ccccc2n1	684629871	JBEHPHVUZOSVSU-LJQANCHMSA-N	412.395	5.234	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccccc2Oc2ncccc2C#N)cc1	726463854	ZQUIIWFOMARLON-UHFFFAOYSA-N	404.495	5.342	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1	726479783	ZIRKZSSEKRDXJY-UHFFFAOYSA-N	402.907	5.225	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)c2ccccc2SCC#N)c(C(F)(F)F)c1	726564283	GQQUEKQWUHTJMQ-UHFFFAOYSA-N	408.445	5.038	30	20	HKED	
COc1cc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)cc(Cl)c1OC	727780815	UECSMIHESZUTHO-XCVCLJGOSA-N	411.654	5.081	30	20	HKED	
C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3ccc(OCC#N)cc3)c2)C1	727935920	AFHXBQZTNBNSEZ-JPYJTQIMSA-N	407.514	5.006	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2nc(O)[nH]c2c1	728158191	WWAWQKRPVNTXDG-SOFGYWHQSA-N	415.396	5.307	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)cc2F)c1	728192914	GXHAYFGDIJUFDI-UHFFFAOYSA-N	404.228	5.164	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc2cc(F)ccc2s1	730416082	ACMZOXMKMXKQQQ-CQSZACIVSA-N	415.287	5.106	30	20	HKED	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(C#N)cn4)n3)c2C)cc1	730739590	ICRBJEZGIUOQTR-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	731199298	WIRPYPRKGHEWQJ-HXUWFJFHSA-N	407.514	5.326	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Cl)nc(N2CCCC2)c1	732934205	AEWZZFGCQCEGID-UHFFFAOYSA-N	408.914	5.188	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2oc3ccc(Cl)cc3c2C)ccc1OC	733232424	SGEQXPNJKXQVLM-INIZCTEOSA-N	412.873	5.014	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2F)cc1	733622228	SAKBLXALBQEBGH-UHFFFAOYSA-N	404.445	5.444	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N(C)C2CCC(C(C)(C)C)CC2)ccc1OC	733656935	QTDXEMKGMJKKAA-SOAGJPPSSA-N	415.578	5.122	30	20	HKED	
C[C@@H]1CCCC[C@@H]1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	733680316	ZQNHSJFINSGPPZ-PEELUZDISA-N	423.365	5.888	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3Cc3ccccc3)[nH]c12	735787725	DUVSRYWLKJPURN-NQIIRXRSSA-N	409.489	5.106	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)cc(Cl)c1O	741842366	KHKFCMARIPYUIY-UQCOIBPSSA-N	402.821	5.605	30	20	HKED	
COCCN(C(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)c1ccc(C#N)cc1	741957416	PLVAFOKBIXBHGA-UHFFFAOYSA-N	419.550	5.027	30	20	HKED	
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1)c1ccc2c(c1)COC2	742437002	PQONGEKYDQOQET-YDWXAUTNSA-N	422.480	5.539	30	20	HKED	
Cc1cccc(-c2nn(CN3CCC(C#N)CC3)c(=S)n2-c2ccc(Cl)cc2)c1	747079005	QJMDGGROLYLCMB-UHFFFAOYSA-N	423.973	5.225	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccs2)cc(Br)c1OC(F)F	750900666	PDHLETAWLOFBCL-WAYWQWQTSA-N	403.244	5.407	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2coc(-c3c(F)cccc3F)n2)cc1OC	752764708	TYHIBQDACZGHKV-UHFFFAOYSA-N	422.815	5.231	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C)C/C(C)=C/c2ccccc2)c1=S	754864782	XVAGKKBIHFOWKE-KNTRCKAVSA-N	420.582	5.268	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1cc2ccccc2s1	758244259	YQQLNPDZSZNFLM-YOEHRIQHSA-N	411.552	5.151	30	20	HKED	
CC(C)c1ncc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)s1	758415713	JZWQVDZORBDFAA-MKMNVTDBSA-N	405.957	5.197	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	760195160	IRAOXDBYBAPKJU-SWLSCSKDSA-N	415.827	5.170	30	20	HKED	
N#CC(CCOC(=O)c1cnc([C@@H]2CCCO2)s1)(c1ccccc1)c1ccccc1	760669391	IQXNIRYOMFSKHS-FQEVSTJZSA-N	418.518	5.051	30	20	HKED	
N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(Cl)c([N+](=O)[O-])c1	764300802	DNMUTOLDXGFHAZ-OLZOCXBDSA-N	410.644	5.169	30	20	HKED	
COc1ccc(N2CCC(NCc3cccc(-c4ccc(C#N)s4)c3)CC2)cc1	766111458	WVPGKYIBYDKOLX-UHFFFAOYSA-N	403.551	5.054	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccccc1Br)CC(C)C)c1ccncc1	767018921	MTIZHAXAUUMIBJ-FQEVSTJZSA-N	416.363	5.329	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	772453943	RJARHGZFDRBBMV-PKOBYXMFSA-N	415.578	5.448	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2ccc(F)nc2)C(=O)c2ccccc2)c(Cl)c1	777467771	KZOTYUWSZKWTPI-PDGQHHTCSA-N	408.860	5.396	30	20	HKED	
CC(C)[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F	778542614	JCZCDLPJRHSWAN-QGZVFWFLSA-N	424.806	5.051	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)OC[C@@H](C#N)Cc3cccs3)c12	780469796	GAOHBMWPIODXKT-CQSZACIVSA-N	421.478	5.207	30	20	HKED	
Fc1c(F)c(F)c(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(F)c1F	781348198	BRCMXDSPNNCSCT-AWEZNQCLSA-N	421.234	5.377	30	20	HKED	
Cc1cc(Br)c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1Cl	782596574	RPFIOGBJAIGUNQ-UHFFFAOYSA-N	418.678	5.227	30	20	HKED	
CCCOc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(OC2CCCC2)c1	792547367	LSXNDXSPJQVHBW-KRWDZBQOSA-N	408.498	5.340	30	20	HKED	
C#CCOc1ccc([C@@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	793568647	NMQVIIMRWFACDP-UZUQRXQVSA-N	417.471	5.536	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2c(Cl)ccc3c2OC(C)(C)C3)c1	797686829	URXBKBHSSAYXSO-MRXNPFEDSA-N	413.905	5.056	30	20	HKED	
Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	800150562	UMVVWMXOGCEAJC-UHFFFAOYSA-N	409.348	5.098	30	20	HKED	
Cc1cc(Cl)nc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	800530089	UUHXNFIBNTXBGM-UHFFFAOYSA-N	406.873	5.338	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	805859961	WKSAJLIIJTWNGO-FZKQIMNGSA-N	405.910	5.553	30	20	HKED	
O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccc(OC(F)F)cn1	809125824	AWZOQFBHYQINSW-GFCCVEGCSA-N	415.236	5.162	30	20	HKED	
CC(C)(C)OC(=O)NCc1cccc(NCc2ccc(C#N)cc2C(F)(F)F)c1	810149358	HZNUUYLNYLDZNV-UHFFFAOYSA-N	405.420	5.214	30	20	HKED	
Cc1sc(C2(NCc3ccc(O[C@H](C)C#N)cc3)CCC2)nc1-c1ccccc1F	815166796	VBMXDWKUSFSQMO-MRXNPFEDSA-N	421.541	5.718	30	20	HKED	
COc1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1NC(=O)c1cccnc1	915113552	YMIZTAHPPVDKKW-UHFFFAOYSA-N	416.264	5.106	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCSC(F)(F)F)cc1Cl	916683765	IQQUQQYZSNVGTD-OAHLLOKOSA-N	413.852	5.370	30	20	HKED	
N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1	917025793	PDUULAGLWRILDQ-SFHVURJKSA-N	412.967	6.212	30	20	HKED	
Cc1cc2occ(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2cc1C(C)C	917039541	AJZLGVOALRRIDN-GOSISDBHSA-N	421.447	6.028	30	20	HKED	
CC(C)Oc1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl	917515063	CQZRTBFMZJUFIG-HXUWFJFHSA-N	405.885	5.430	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)cc1	918613185	UCXOCQCNTAFFAI-UHFFFAOYSA-N	405.376	5.176	30	20	HKED	
N#C[C@H](C(=O)CN1CCC[C@H]1c1cccc2ccccc12)c1nc2ccccc2s1	920087762	FRXCBHKALIBXDQ-IRLDBZIGSA-N	411.530	5.463	30	20	HKED	
COc1cc(Br)c(N=Cc2cc(Cl)cc(Cl)c2O)cc1OC	920175292	UYCBVSWDEFIMGD-UHFFFAOYSA-N	405.075	5.229	30	20	HKED	
Cc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)c1	1792113409	KRKGYMBUXKMLFB-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nnc1-c1cccc(C)c1	22093409	VETVHNHIURMVNI-INIZCTEOSA-N	424.595	5.281	30	20	HKED	
Cc1nc(NC(=O)c2cnc(-c3ccccc3Cl)s2)sc1SCC#N	50317901	JYUXTCNXZFFDCN-UHFFFAOYSA-N	406.945	5.096	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2ccccc2o1	54736312	WISWUSUHIBNLDG-GOSISDBHSA-N	409.420	5.460	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccccn2)cc1	56720301	FQSRPZWCUOQGFM-XMMPIXPASA-N	412.493	5.096	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1	63401039	SCLZSSDCIOSPQW-SANMLTNESA-N	421.500	5.792	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)[C@H](C)c1ccc(C#N)cc1	106212827	VWKFWTSLWDVRTK-GOSISDBHSA-N	403.526	5.300	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)cc2)c1	303169212	IKWHLXFQOWBBPD-JOCHJYFZSA-N	424.422	5.812	30	20	HKED	
CN(CCN(C)c1ccccc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	303259269	DVCQQSWPPIOPTK-UHFFFAOYSA-N	415.562	5.059	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)cc1	303452556	DATICQLWIQGPOE-HSZRJFAPSA-N	405.542	5.362	30	20	HKED	
Cc1ccccc1[C@H](C)CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	303708433	PLYAZZVIOXKAKZ-OAHLLOKOSA-N	408.552	5.143	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cnccc3-c3ccccc3)cc2)cc1	428461871	SBEGREQQQNFKBN-UHFFFAOYSA-N	405.457	5.859	30	20	HKED	
N#CCSc1cccc(C(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1	429925671	OXZIIWUWKUPLFS-UHFFFAOYSA-N	406.551	5.506	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1	433785411	INXWSNCFGZKUIF-UHFFFAOYSA-N	402.401	5.022	30	20	HKED	
Cn1cc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	434613315	ABCLSHXGBUZCOA-ZDUSSCGKSA-N	420.719	5.055	30	20	HKED	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	435097699	HWSFJAXCHSTMMQ-UTSGNWPNSA-N	403.526	5.517	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1	438056453	MPPXLDDXJMRORW-MRXNPFEDSA-N	420.538	5.903	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCc2c([nH]c3c(F)cccc23)C1	439384835	JPNFUVKXLRVMCQ-UHFFFAOYSA-N	405.517	6.139	30	20	HKED	
CCCc1c(NC(=O)c2ccc(Cl)c3cccnc23)cnn1-c1cccc(C#N)c1	440079695	PCDLZPNXYOMZSE-UHFFFAOYSA-N	415.884	5.150	30	20	HKED	
Cc1c(CNCc2cn(CCC#N)nc2-c2ccncc2)sc2ccc(Cl)cc12	441361075	YRKJGDRYJFIWMJ-UHFFFAOYSA-N	421.957	5.325	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc([S@](C)=O)c1)c1ccc(C(F)(F)F)cc1	442196081	CKARDBYYUYXTDI-WRHNGFHOSA-N	410.461	5.272	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(Br)s1	443303757	AEFVXVNQFFMLDG-FVQBIDKESA-N	418.360	5.053	30	20	HKED	
N#Cc1cc(CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)ccc1F	443457466	WQYIBVWWQIAQHX-UHFFFAOYSA-N	404.832	5.698	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(Br)s1	444816946	KIIGROMKCBEPPA-RYUDHWBXSA-N	424.389	5.788	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1c(F)cc(C#N)cc1F	446047355	OZVMEABJWHHTCF-UHFFFAOYSA-N	420.394	5.090	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C	446862074	OUVCSVAOWXKJQE-HXUWFJFHSA-N	406.448	5.395	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C	446875014	YMRHYEVWYGLCAA-HXUWFJFHSA-N	401.432	5.258	30	20	HKED	
N#C[C@H]1N(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCC[C@@]12CCCCO2	448275092	GOKBUROVAAQSDG-VWNXMTODSA-N	423.944	5.020	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	463506586	KYBABGXERGTKQM-NXEZZACHSA-N	423.284	5.049	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)c1nc(Cc2ccccc2)no1	463928202	VJNBJTDDKDSMOC-GOSISDBHSA-N	410.477	5.806	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cccc(C(F)F)c2)cc1	468300427	LEVBEGDGROQFRK-UHFFFAOYSA-N	408.404	5.478	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	470643784	XYJWHQGBWMXYMD-UHFFFAOYSA-N	410.602	5.237	30	20	HKED	
Cc1ccc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccn2)cc1	471275856	DIRBBQHSVZWLBB-MBSDFSHPSA-N	416.550	5.695	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)c1	471898843	ADLITUNBDUNKKN-SFTDATJTSA-N	422.912	5.368	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c(C)c1	471921882	KHWZROQZJOETRJ-AZUAARDMSA-N	422.598	5.316	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	472691455	HWXBLWZNHMUJHK-OAQYLSRUSA-N	404.558	5.193	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1	473944828	MFWFIYQDKCBWKE-HNNXBMFYSA-N	415.312	5.336	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1	476543140	IMORQNLWQKRVRR-JOCHJYFZSA-N	403.913	5.250	30	20	HKED	
N#Cc1ccsc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCCCC1	477635771	DLSCOWQBUXFQEV-UHFFFAOYSA-N	407.461	5.026	30	20	HKED	
CCN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H](C)c1cccc(OC)c1	479167043	PANUROUSKNTAFQ-XTWGIRIWSA-N	421.541	5.050	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)c1	481595781	JVWSHBQWHYVWLP-UHFFFAOYSA-N	412.424	5.360	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H](F)c2ccccc2F)CC1	482172625	YQNAEWFBYGLISU-QHCPKHFHSA-N	412.524	6.632	30	20	HKED	
CCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1ccccc1Cl	485340240	VEECRWFAIQUYKA-UHFFFAOYSA-N	421.932	5.402	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	486028208	LADWWCIHCOTCCG-UHFFFAOYSA-N	406.526	5.254	30	20	HKED	
O=C(NC[C@H](c1ccccc1)C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	486440993	DHLHZASSSGZOKN-CVEARBPZSA-N	422.344	5.465	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cn3)o2)cc1	487449759	XCONIHBJYGQFLT-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
C=CCC[C@@H](NCc1cnnn1Cc1ccccc1)c1ccc(C(F)(F)F)cc1	491226384	XDWRELVINKVBOM-OAQYLSRUSA-N	400.448	5.142	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1	494261158	CMISJNPOIUEFQS-MRXNPFEDSA-N	408.571	5.235	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1C(F)(F)F	495307973	JYXJPRCFIGNMCF-UHFFFAOYSA-N	402.216	5.390	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1OCC(F)F	497530834	FPMCANHEPYHADF-QAPCUYQASA-N	419.859	5.288	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	497803369	CMFLWWZAIOQCSR-YADHBBJMSA-N	420.434	5.621	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc([C@@H]2CCCOC2)c1	499503076	ZJIKIGJVGMGQRB-JOCHJYFZSA-N	412.489	5.805	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)c1	503272019	YJTKTPQUNWUYNY-OAQYLSRUSA-N	424.541	5.288	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1	508253892	UMLJBOPNFWSJNT-FQEVSTJZSA-N	419.506	5.790	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)c1nccs1	508746558	KYTRMTYKFPWOLO-AWEZNQCLSA-N	420.007	5.106	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1coc2ccccc12	512560540	RHHQSPNGZPYKLL-UHFFFAOYSA-N	411.461	5.514	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1	512708092	NGGFOWKJOPMDIT-QHCPKHFHSA-N	402.881	5.092	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCC(c1ccccc1)c1ccccc1	513537390	YFNRZPZHBYLUKQ-UHFFFAOYSA-N	418.537	5.082	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1	513686521	ANMSFPPQRHJKST-FQEVSTJZSA-N	412.518	5.411	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1	513867140	BERYPNZDKZCZKU-UHFFFAOYSA-N	402.498	5.398	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	515691731	WSJLSTCWPHBNKI-LIRRHRJNSA-N	401.491	5.134	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2s1	518587954	MIHJRSFVYWSUNM-GFCCVEGCSA-N	413.289	5.279	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCCc1nc2ccccc2s1	519423872	IGIXFUNWVIYITQ-INIZCTEOSA-N	409.580	5.900	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCc4cc(Cl)cc(F)c43)cc2)nc1	521076819	GOAOSRJGLZAPQU-UHFFFAOYSA-N	407.832	5.131	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccc(Cl)cc1	521720851	YOVZCRXOXQQLOU-GJZGRUSLSA-N	404.988	6.167	30	20	HKED	
N#CCCn1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1	522725359	IYFKIXZHGIYJOI-UHFFFAOYSA-N	420.856	5.028	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1-c1nc(C(C)C)no1	524161323	RFXZAUGXOBMAMM-UHFFFAOYSA-N	401.919	5.403	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc(C)c(O)c(C)c1	524438067	MJRIXDIBVPAZKQ-UHFFFAOYSA-N	415.493	5.090	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)cc1	524616696	TYQYPWDEENRLJE-UHFFFAOYSA-N	410.477	5.333	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C	532093522	FNKNRQHDLZOHMW-UHFFFAOYSA-N	403.482	5.209	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C(F)F	535415960	VUGHYSULAXYSGG-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1CCC(F)(F)F)c1nc2cc(Cl)ccc2s1	536204799	RHKLWBFKHJSHSL-CQSZACIVSA-N	408.832	5.935	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccccc1	537078698	OMXNCEJHZYABGW-QAPCUYQASA-N	421.488	5.303	30	20	HKED	
CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1	539776719	BNSGSDGXHXQIHT-UHFFFAOYSA-N	413.477	5.131	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@H]3CCCc4nc(-c5ccc(F)cc5)sc43)cc2)CC1	540722762	UHDQLDGIPVZKTH-IBGZPJMESA-N	417.509	5.312	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H]2CCCC[C@H]12	541086974	NBZGCSSNRIRRNL-DQMJNTIXSA-N	403.526	5.374	30	20	HKED	
C[C@H](NC(=O)c1ccc(-c2ccco2)nc1O)c1ccc(-c2cccc(C#N)c2)cc1	541134611	YGIFLZJRIIYGOR-INIZCTEOSA-N	409.445	5.077	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1	542006475	DZDIJYAUKDPKNS-CYBMUJFWSA-N	418.353	5.438	30	20	HKED	
N#CCC1CCN(C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1	542447128	PJWUYNKJIDSNRY-HXUWFJFHSA-N	402.325	5.418	30	20	HKED	
COc1ccccc1-c1nc(CNc2ccn(-c3ccc(Cl)cc3C#N)n2)cs1	543862810	QBAZHZPUFKAGOJ-UHFFFAOYSA-N	421.913	5.142	30	20	HKED	
C=CCc1cc(CNC(=O)N(c2ccccc2)c2ccccc2)cc(OC)c1OC	543906997	IKWAPRHFMPVYQE-UHFFFAOYSA-N	402.494	5.480	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)Cc1nnc(C2CC2)n1C1CC1	543962197	VGGWWGMJCBRUSI-UHFFFAOYSA-N	401.489	5.016	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)s1	544746009	KTVIAGNNBMKSAX-LLVKDONJSA-N	422.316	5.882	30	20	HKED	
C[C@@](C#N)(NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)C1CCCCC1	550747936	KWTYWTLZZGIAQZ-DEOSSOPVSA-N	423.582	5.302	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(CCC#N)c3ccc(F)cc3)c12	553821917	MOIZXOLMCGZREM-UHFFFAOYSA-N	421.520	5.318	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1OCCc2sccc21	555989056	YTTTZNIYSSOYFR-NYHFZMIOSA-N	404.491	5.301	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)cc1	556321173	VPSYZINSNVWRRD-FTJBHMTQSA-N	424.500	5.593	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)C3(c4ccccc4)CC3)o2)cc1	557488079	GINXITWSOUQVNJ-MRXNPFEDSA-N	406.507	5.083	30	20	HKED	
N#CCC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCc2ccccc2)CC1	558943906	AFLHLUIBJAMKAS-UHFFFAOYSA-N	411.509	5.064	30	20	HKED	
Cc1cc(C(=O)NC2CCCC2)ccc1NCc1cccn1Cc1ccccc1C#N	559998588	YGBHRRBUGIVHHZ-UHFFFAOYSA-N	412.537	5.001	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)C2CCC(OC(F)F)CC2)c1	565268903	GXHGYRUDTYXCTE-UHFFFAOYSA-N	418.871	5.543	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC=C(c3cccnc3)C2)cc1	567000542	FXNQYMWSUWHRCN-UHFFFAOYSA-N	411.530	5.175	30	20	HKED	
CC(C)(C#N)CCSCc1coc(-c2ccc(I)cc2)n1	574789266	MSVNPYQCTFUQFS-UHFFFAOYSA-N	412.296	5.119	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(C4CCCC4)cc3)ccc21	575912844	FXSFVHVLHWLACN-UHFFFAOYSA-N	401.510	5.179	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)c1	578670440	YTEQJIUCBCTNAH-UHFFFAOYSA-N	414.317	5.187	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@H]1C(F)(F)F	581137623	XMIOJTVHCSIGHC-GOSISDBHSA-N	418.419	5.188	30	20	HKED	
COc1ccc(-c2cncc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)cc1	581223417	PCWLUJFIYNFABF-UHFFFAOYSA-N	422.444	5.068	30	20	HKED	
N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)nc1	583061259	RKZXNJBSKSPBGZ-UHFFFAOYSA-N	417.925	5.070	30	20	HKED	
CC(C)(C)c1ccc(C#N)c(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)n1	589600913	RDWJEYUTRTXBGA-UHFFFAOYSA-N	415.419	5.018	30	20	HKED	
O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	590155888	RADGSFXDSAFZSM-AOOOYVTPSA-N	424.263	5.176	30	20	HKED	
C=CCOCC(=O)N(c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1	591666467	ACGLRFWKOGZYRW-UHFFFAOYSA-N	416.502	5.956	30	20	HKED	
COc1ccc(SCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	603738820	TXHNPTYXLITLAL-UHFFFAOYSA-N	419.506	5.184	30	20	HKED	
CSCc1nc2ccccc2n1CC(=O)Nc1sc(-c2ccccc2)cc1C#N	603968073	KGJXFAXIEIXLSV-UHFFFAOYSA-N	418.547	5.138	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2nc1C	604003536	DZIGRAGIGSRJPZ-UHFFFAOYSA-N	422.488	5.144	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)n1	604338054	OTOCVVBWOFMYMQ-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)cc2)c1	609063572	DMALJTNUHWMCBB-VQTJNVASSA-N	402.416	5.444	30	20	HKED	
COc1ccc(Cl)cc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N	609388117	INKGMSUVVKDSDH-CQSZACIVSA-N	420.987	5.472	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	609439112	ZIADEDBGTHWPAL-UTKZUKDTSA-N	409.555	5.849	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1	609496370	PNHSHABQMBUZRZ-UHFFFAOYSA-N	413.449	5.148	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)c2)c1	609693823	GHXQCAVWSGTLGI-PMACEKPBSA-N	404.416	5.158	30	20	HKED	
C[C@@H](SCc1nc(-c2cc(Br)cs2)no1)c1ccc(C#N)cc1	609825661	KZJZPGHVCVRBIW-SNVBAGLBSA-N	406.330	5.427	30	20	HKED	
N#Cc1ccc(CNC(=O)CSCc2ccc(Oc3ccccc3F)c(F)c2)cc1	609901910	LRZIROIBPMBICP-UHFFFAOYSA-N	424.472	5.178	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)sc1C	609908955	RBHXKRPJPCYNIY-UHFFFAOYSA-N	405.523	5.283	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1	609909365	FAWJPIYCQVXAHF-GOSISDBHSA-N	418.443	5.334	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nccs1	610016478	AHSCOXLBCZJHFJ-IBGZPJMESA-N	406.511	5.061	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccc(C#N)cc1	610089111	BRVJTQFMCMAUNG-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
C[C@@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1cccc(C#N)c1	610345297	ZUXGKAOGPSERRO-SJKOYZFVSA-N	402.338	5.281	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccc(C#N)c1	610364622	SERWKPKATKOOQL-OAHLLOKOSA-N	401.853	5.367	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCc3c(Cl)cccc32)cc1	611411320	CSAGPDCIICJZMT-JOCHJYFZSA-N	416.908	5.654	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c(Cl)c1	611477486	SBKCAHHDMVZYKG-UHFFFAOYSA-N	424.259	5.443	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)C1	612369557	KOYWETZOWOTSOU-DHIVUKOYSA-N	411.505	5.471	30	20	HKED	
Cc1cc(C#N)ccc1-c1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1	612881848	OSCWFCFOFBNMSF-UHFFFAOYSA-N	400.385	5.136	30	20	HKED	
CCOc1cccc(-c2cccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)n2)c1	617171509	MFKBDRHWZASWHX-UHFFFAOYSA-N	412.276	5.578	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2s1	621026904	GNTXGJWVNNXWAX-CQSZACIVSA-N	406.536	5.242	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1	725798578	XJFWSQTUFJJHQU-UHFFFAOYSA-N	422.513	5.680	30	20	HKED	
C[C@H](c1ccccc1Br)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1	726485843	WKRMKRYUTAOCLE-LLVKDONJSA-N	408.752	5.364	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	727997224	VKLMXNRPRPZVRR-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728472842	VUWBNZYFMKJSCO-UHFFFAOYSA-N	418.456	5.100	30	20	HKED	
C=CCc1cc(C(=O)Nc2cccc(Nc3nc(C)cs3)c2)cc(OC)c1OC	729335873	YMJRVQMUBXPNAC-UHFFFAOYSA-N	409.511	5.193	30	20	HKED	
N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1	730422361	WXTIUWPOQKJNSU-ZDUSSCGKSA-N	410.417	5.423	30	20	HKED	
O=C1/C(=C/c2coc(-c3ccccc3)n2)CCC/C1=C\c1coc(-c2ccccc2)n1	731835437	CWAHCPRTXKRFSI-OZNQKUEASA-N	408.457	6.217	30	20	HKED	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	733680649	ATOVYLYDBHGPKO-BXKDBHETSA-N	409.269	5.386	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3cc([N+](=O)[O-])ccc3OC(F)F)c2)s1	740014527	QRUINUIICNWFQJ-UHFFFAOYSA-N	415.421	5.086	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	740785718	JRHYKLGYZACJAS-UHFFFAOYSA-N	416.905	5.182	30	20	HKED	
CCCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	741090960	ZOKUKTSTMKRBGA-NNWRFLSQSA-N	423.582	5.022	30	20	HKED	
COc1ccc(CN[C@H](c2ccc(OC)c(OC)c2)c2ccccc2Cl)cc1C#N	742378232	ZSQCXPUFAQBDGL-XMMPIXPASA-N	422.912	5.117	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	743093267	QFRXJQYCZVYUKL-FTJBHMTQSA-N	411.549	6.136	30	20	HKED	
CS[C@H]1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	743117733	XOSAKZVLTFGUDN-YOEHRIQHSA-N	401.919	5.410	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037589	ANRULTZECPBCSX-BLLLJJGKSA-N	420.431	5.899	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CC[C@H](c3ccccc3)[C@H](CC)C2)c1=S	746384311	YHUPVIVWXBJFOF-KNQAVFIVSA-N	419.598	5.135	30	20	HKED	
COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccsc3)cc2OC)cc1	749103745	ANHQHKMNAQOMRM-UITAMQMPSA-N	408.475	5.018	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C2SCCCS2)cc1	752379352	HHUUJTVFNBRHKM-UHFFFAOYSA-N	421.509	5.356	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1	752634825	CEONSAZVBWBHMT-FQEVSTJZSA-N	401.432	5.538	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	760183296	KVOZTXOOVDJZQS-MGPUTAFESA-N	418.880	5.050	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(F)cc3OCC#N)s2)cc1	761669062	USYJLAMQRVPPSX-OAHLLOKOSA-N	424.501	5.351	30	20	HKED	
CC(C)c1nc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c2ccccn12	762600100	HMYZTHGNOMHRAY-PFONDFGASA-N	422.550	5.070	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=S)Nc1cnn(-c2ncccc2C#N)c1	763362393	QJZLFXKTPCVIEJ-UHFFFAOYSA-N	404.543	5.195	30	20	HKED	
Cc1occc1-c1nn(CN2CCCC(C)(C)[C@@H]2C#N)c(=S)n1Cc1ccccc1	766109661	BXPWBHKZHZTKEC-FQEVSTJZSA-N	421.570	5.002	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)C1	766618939	XBAGWODQUDPKSF-KZNAEPCWSA-N	417.500	5.763	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2cc(Br)ccc2Cl)ccc1OC	767917652	PBIOZJMDYQLMKB-INIZCTEOSA-N	423.738	5.082	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(F)ccc2Br)cc1	771249999	KHFJUDDJLCXPAQ-FQEVSTJZSA-N	423.285	5.425	30	20	HKED	
N#C[C@@H](C(=O)C1CCC(C(F)(F)F)CC1)c1nc(-c2ccc(Cl)cc2)cs1	774053668	JUZWDECEBLYKFS-PIMMBPRGSA-N	412.864	6.008	30	20	HKED	
Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(COc2ccc(C#N)cc2)o1	778274510	HLVKHLQLODSTOC-UHFFFAOYSA-N	404.491	5.181	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2O[C@H](C)C#N)cnn1-c1cccc(Cl)c1	780151739	ODRLUTYGZAKMHW-OAHLLOKOSA-N	408.889	5.192	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)CCC2	781047044	FAAPFQQWEYIGNB-QHCPKHFHSA-N	414.509	5.130	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2CCC2)cc1	791771276	HTYSVJLWSYWMDA-GOSISDBHSA-N	400.450	5.230	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	793586014	OWYXIHSZRMHWDW-INIZCTEOSA-N	407.514	5.326	30	20	HKED	
C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nc(Cc2ccc(Cl)cc2)no1	795991904	PKAQHBDPHJLDKW-QAPCUYQASA-N	409.873	5.006	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CCC(F)(F)CC1	797629074	JUHYPFATMOWUEN-UHFFFAOYSA-N	404.351	5.326	30	20	HKED	
Cc1nc(CCC(=O)OCC(C)(C)CCC#N)oc1-c1ccc(Br)cc1	798877927	PAJGGGRYJWVSKD-UHFFFAOYSA-N	419.319	5.218	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc1	801739997	XUVKISZVDDHFSC-OREYRXSPSA-N	423.988	5.335	30	20	HKED	
CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	813060741	ITCCCYPIRKWDLV-KXBFYZLASA-N	417.843	5.365	30	20	HKED	
N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1cc(C(F)(F)F)ccn1	813218432	OZHLCUMPKAXFBE-LBPRGKRZSA-N	407.442	5.069	30	20	HKED	
C[C@@H](OC(=O)c1cc2c(Cl)cccc2s1)C(=O)N(CCC#N)c1ccccc1	825218330	HGLUVCBPBIGJGW-CQSZACIVSA-N	412.898	5.047	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)cc1	916052118	YSFYJGJNAZYSKS-NRFANRHFSA-N	410.395	5.378	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(C2CCCCC2)c1C	916909819	VEUKCJFUHNKDQP-HSZRJFAPSA-N	419.569	5.696	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl	916929560	BCYVUNBCWYXZCL-GFCCVEGCSA-N	419.289	5.178	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)c(Cl)c1	916942164	HMRVELHHYTZGSK-GFCCVEGCSA-N	402.064	5.261	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916972199	KTBPJJIUKRUFRI-HXUWFJFHSA-N	402.519	5.520	30	20	HKED	
Cc1cc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1Cl	917047160	SFJWTYXNYBIUSP-BXUZGUMPSA-N	405.306	5.555	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H]2c2ccsc2)c1=S	917454671	IKUMIDIKXZQWRA-SFHVURJKSA-N	417.003	5.777	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(C)Cc2cc(Cl)cc(Cl)c2)c1=S	917477853	PKGOXOINMRJGOE-UHFFFAOYSA-N	409.342	5.256	30	20	HKED	
CC(C)c1sc(NC(=O)CN[C@@H](C)c2cccc(C#N)c2)nc1-c1ccccc1	1644466604	ZNUFXBQFNOQRTN-INIZCTEOSA-N	404.539	5.094	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Sc4ccccc4)cc3)CCC2)C1	1786287326	BRXOIXHYYYDYNL-GOSISDBHSA-N	420.578	5.268	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1	1789006104	TWDMJUAVBPYMKD-QGZVFWFLSA-N	402.494	5.393	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1	1791583229	VFRJSBGXFLSQNU-UHFFFAOYSA-N	406.507	5.046	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2F)CC1	1823753983	UMOXPLPDNPTADE-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1	11258708	YRLTTXWBALWQTI-UHFFFAOYSA-O	421.973	5.476	30	20	HKED	
CN(C/C(O)=N/c1nc(-c2ccc(F)cc2)cs1)Cc1nc2ccccc2s1	14073765	RVOWPIICZVGOEY-UHFFFAOYSA-N	412.515	5.279	30	20	HKED	
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1Cl	60868759	FFKICYIWGDLHPY-UHFFFAOYSA-N	420.881	5.146	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CCc3c(Cl)cccc32)cc1OC	62258215	DNUGGPZLYWHTHD-SFHVURJKSA-N	422.750	5.453	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1	63164845	JRYQUVUKZAFHAL-UHFFFAOYSA-N	400.482	5.498	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)c1nc(-c2cccs2)no1	63641416	WLGVSUKLHICMRG-OAHLLOKOSA-N	402.479	5.944	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1c(F)cccc1F	63641484	FJYRVFHEPBWZCB-HNNXBMFYSA-N	407.420	5.376	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1	65870033	XBGJITFKSFNKKZ-UHFFFAOYSA-N	408.929	5.215	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n[nH]1	71945356	RCCLNPMQEQCVFD-UHFFFAOYSA-N	411.490	5.055	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)nc2ccccc21	195652731	JUWGQMRPLVJVJS-FQEVSTJZSA-N	415.880	5.296	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc1OCc1ccccc1	212582088	YIHWGQOCUGLKAU-QBFSEMIESA-N	401.462	5.129	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3c(F)cccc3F)o2)ccc1OC	237021038	UZXADZXEDDBCFY-INIZCTEOSA-N	412.436	5.204	30	20	HKED	
CCCCCc1nnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	301142892	GVSYRPDTXASVDL-UHFFFAOYSA-N	422.579	5.687	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)c2sc3ccc(C#N)cc3c2C)cc1OC	429935380	CMCPLKQLGIKJHR-SFHVURJKSA-N	406.507	5.076	30	20	HKED	
O=C(NC[C@H]1CCC(F)(F)C1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	430971828	PPAMDPPGDOVRJL-GXFFZTMASA-N	418.328	5.434	30	20	HKED	
COc1cccc2c1[C@H](C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2	431830916	AKPGCGXYVLMPPZ-HSZRJFAPSA-N	412.489	5.009	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC4(CCCC4)c4cccc(F)c43)cc2)nc1	432555395	NDIDDEYWJFVFAB-UHFFFAOYSA-N	413.452	5.357	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1F	433588469	XNCOLOGJEDIXTC-AWEZNQCLSA-N	413.518	5.121	30	20	HKED	
Cc1c(Br)ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1F	433751937	RVLPXZLTHRNRLJ-QAPCUYQASA-N	416.294	5.200	30	20	HKED	
Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(F)c1Cl	436419344	REXSWHCZPJRLGY-UHFFFAOYSA-N	418.906	5.055	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl	438057494	VAAQTPOOYGGEBF-YJBOKZPZSA-N	407.823	5.662	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1	438215221	YOAZDSNYJOAJBY-INIZCTEOSA-N	401.466	5.125	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1C	438659906	HYPPZNXBCIPBAH-UHFFFAOYSA-N	419.456	5.471	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)cc2)cc1	438690337	IPTOAEWLDVFPKF-UHFFFAOYSA-N	419.431	5.335	30	20	HKED	
C[C@@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1ccc(F)cc1Cl	439541904	MVWAADMUARLISH-SNVBAGLBSA-N	414.836	5.213	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2c(F)cc(C#N)cc2F)cc1	445793515	JJIXBGOLAUBABA-HSZRJFAPSA-N	405.448	5.046	30	20	HKED	
COc1cc(Oc2ccccc2)ccc1NCC(=O)Nc1ccccc1SCC#N	446909499	ZLSGMRIARQIHMN-UHFFFAOYSA-N	419.506	5.154	30	20	HKED	
C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1Cc2ccccc2C[C@@H]1C	460783107	XJNGMYCYDOTALG-WDJPJFJCSA-N	414.553	5.051	30	20	HKED	
C[C@@H](c1ccc2ccccc2c1)N(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CC1	462082582	HJBOMEDOZPMNKK-KRWDZBQOSA-N	422.492	5.050	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1)c1ccccc1	464465570	GUWGHCVEHYXDRD-YWZLYKJASA-N	410.395	5.730	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1	464950054	IZFSZDVLOLZJMF-GOEBONIOSA-N	413.955	5.437	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(C4CCCCC4)CC3)c2)cc1	473633486	JEQSNFKFUQKUBW-UHFFFAOYSA-N	418.541	5.269	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1Cl	474969694	KPSGBSGQAUYLJU-INIZCTEOSA-N	423.944	5.408	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C	476090421	LDELHTHLPWWMCF-CQSZACIVSA-N	407.480	5.656	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(-c2ccc3ncccc3c2)c1C	476091647	SHXKOKNLXKKGOJ-UHFFFAOYSA-N	411.509	5.228	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1F	477844187	UBWTYOWIEVKZTP-ZDUSSCGKSA-N	421.280	5.755	30	20	HKED	
C=C(C)[C@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)c1ccc(F)c(F)c1	478923387	NYFTXNBLGCQPGQ-NRFANRHFSA-N	404.432	5.136	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1	479978875	HWHJHXYKRKLQDX-UHFFFAOYSA-N	405.951	5.104	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1csc(-c2ccco2)n1	481391266	OVQMCVRIAVQRHZ-UHFFFAOYSA-N	410.524	5.052	30	20	HKED	
CCCCn1ncc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C(C)C	482710740	FMRZCNGEQZFQGQ-UHFFFAOYSA-N	406.486	5.103	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	482959141	ODUNZPSCMCYRNJ-OAHLLOKOSA-N	410.499	5.186	30	20	HKED	
CCOCCC1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCC1	483562549	CZGMTKVZRCZWES-UHFFFAOYSA-N	408.567	5.177	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2)cs1	484167001	XIDRQFNYYXANOD-UHFFFAOYSA-N	420.563	5.142	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1	485467691	RXYGIPWCCZWRRH-UHFFFAOYSA-N	410.470	5.510	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)C(F)(F)F	486503201	POQLPXONONRCGG-GDBMZVCRSA-N	407.461	5.548	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)N[C@@H](CCCC#N)c3ccccc3)cs2)cc1	487289112	UJXZNFXRURIAIA-QFIPXVFZSA-N	403.551	5.466	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)CC1CC(OC(C)(C)C)C1	489003509	NNXJMNSTDQBOHX-UHFFFAOYSA-N	412.343	5.087	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3ccoc3)n2)ccc1Oc1ccccc1	490547462	LCWFLVHCMYMHGB-UHFFFAOYSA-N	401.447	5.248	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](Cc1ccccc1)c1sccc1C	497818562	VVILUZBWAPAASQ-JOCHJYFZSA-N	424.566	5.214	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1	499299028	FNHXVKZCZUZDPV-UHFFFAOYSA-N	422.579	5.154	30	20	HKED	
N#Cc1c(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)sc2c1CCCCCC2	499452751	IRNNMTZLTFFDSB-UHFFFAOYSA-N	409.486	5.254	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccnc1)C1CC1	503365469	JJUUZHUWSJQEHI-UHFFFAOYSA-N	412.493	5.037	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc2)nc1	505506541	MTTIKALYZLRXCE-SFHVURJKSA-N	423.259	5.047	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2cccc(F)c2F)cc1	505703638	SYMGBPMLKSPBDZ-UHFFFAOYSA-N	408.404	5.209	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1	505825711	KIWMZRPJWGYTOH-QHCPKHFHSA-N	417.509	5.163	30	20	HKED	
CCOCCC1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	506540561	KRBBWNYOMKGSLK-HXUWFJFHSA-N	411.933	5.324	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)cc1	509114874	XNFLFXMJKGEWOZ-LSDHHAIUSA-N	404.388	5.276	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)c4ccccc4n3)s2)cc1	514755910	PYLQUIZGPOEMHR-UHFFFAOYSA-N	414.490	5.189	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)c1	517863549	BTEWNJVMFHAETJ-UHFFFAOYSA-N	422.488	5.474	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1	517928132	KUTRESBNXVRBCD-UHFFFAOYSA-N	417.852	5.236	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3cc(C#N)c4ccccc4n3)cc2)cs1	518001463	DFFSCYMCVBVDQF-UHFFFAOYSA-N	416.531	5.416	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	518872891	GBHIRHJUKUAJMP-CQSZACIVSA-N	400.475	5.609	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1	519424721	BLCLHYQEPYAGMF-NSHDSACASA-N	404.322	5.979	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccccc2Cl)CC1	520196111	XTIQNNLXYPYNLM-INIZCTEOSA-N	414.962	5.088	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)cc2)nc1	520353013	SXRXVTSUMNTQQI-DEOSSOPVSA-N	422.488	5.594	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	521259991	ZKQVOIQIALHJML-LLVKDONJSA-N	403.479	5.467	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1	521697992	HLUCLLVLLAFDOU-QGZVFWFLSA-N	418.566	6.111	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(OC(F)(F)F)cc1	521747863	CDBJBOXPCVKCBM-CQSZACIVSA-N	423.460	5.201	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CN(C)Cc1ccccc1	533599963	YLTBNISDRXODKI-GOSISDBHSA-N	410.587	5.113	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cnn([C@H](C)CC)c2C2CC2)cc1	535679729	KLQHUAMQWMQQAF-QGZVFWFLSA-N	421.545	5.190	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)nn1CCC#N	538617566	SRMWIQYATFFNLQ-AWEZNQCLSA-N	413.934	5.370	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	539183071	GVMQTWFTYXNBAH-GOSISDBHSA-N	407.823	5.698	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCOc2c(Cl)cccc21	539461883	UEXPVMGSHHHJNT-YOEHRIQHSA-N	415.946	5.770	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC[C@H]3c3ncc(-c4ccc(Cl)cc4)[nH]3)cc2)CC1	540821281	QSLHAHJVNJOXDV-NRFANRHFSA-N	416.912	5.263	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccncc2N2CCCC2)cc1Cl	542500168	KQTHFUJYWHPNAK-NRFANRHFSA-N	416.912	5.243	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1nnc(-c2cccc(C#N)c2)o1	543512192	HGTNMIQSJQBWBF-ZDUSSCGKSA-N	419.485	5.030	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)c2ccc(Cl)c(C#N)c2)nc1-c1ccccc1	543636507	QQUVRKPTOYZVJY-HXUWFJFHSA-N	419.912	5.967	30	20	HKED	
COc1cc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC	543962764	ITTBPCPTSBSIJI-QZTJIDSGSA-N	416.521	5.663	30	20	HKED	
Cc1ccc(-c2nc(Cc3noc([C@@H](C)Oc4ccccc4C#N)n3)cs2)cc1	546321293	UTCFFYNSRVEJCZ-OAHLLOKOSA-N	402.479	5.104	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1	554941834	AJCHFONZDUHOKA-OAHLLOKOSA-N	403.507	5.263	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	555021066	PSWREMZMENWEEF-AWEZNQCLSA-N	410.289	5.381	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)SCc2ccc(C#N)cc2OC(F)F)c(Cl)c1	558596789	LFJMQKVBGVIJJF-LBPRGKRZSA-N	410.873	5.382	30	20	HKED	
CC(C)CN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H](C)c1ccccc1Cl	560188089	BHRHHNHCTNMRDM-CQSZACIVSA-N	418.324	5.049	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c2ccccc21	561038692	AYJLXJNRNRQKRN-XMMPIXPASA-N	421.491	5.647	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	561972948	KOSVRPGRSXUECA-OAQYLSRUSA-N	419.550	5.151	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1CC#N	569884964	CUCRVQZMWOCIME-CQSZACIVSA-N	411.914	5.321	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F	571806310	BYTIHLVRAFYNFS-OAQYLSRUSA-N	411.839	5.137	30	20	HKED	
C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H]1c1ccsc1	578580598	MISRZARPWRQYSR-LJQANCHMSA-N	403.511	5.189	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2ccccc2n1CC(F)(F)F	578984277	ILUHGFVYRNDALX-UHFFFAOYSA-N	418.463	5.200	30	20	HKED	
CCC(=O)Nc1ccc(Cl)c(NC(=O)Nc2cccc(OCCCC#N)c2)c1	579391357	JHIVNLJJGLPVFM-UHFFFAOYSA-N	400.866	5.015	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Sc1ccccc1	581458086	ATBKFBZQVFGLRH-MRXNPFEDSA-N	404.495	5.048	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(C#N)cc1	581511991	KPLNDPGAJSTBDY-HNNXBMFYSA-N	402.410	5.141	30	20	HKED	
CC(C)(C)c1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1	588348932	ICOJRFRMNJBCMC-SNVBAGLBSA-N	403.479	5.332	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNc3ccc([N+](=O)[O-])cc3C#N)c2)c1	603870640	OIOGQUPITASBOG-UHFFFAOYSA-N	401.426	5.031	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccncc3)C3CC3)cc2Cl)cc1	604088403	RFUGFHNUOWUFEJ-UHFFFAOYSA-N	418.884	5.595	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2)cc1	604458607	NLLVVNFQKPYEOR-UHFFFAOYSA-N	415.474	5.037	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1	604938301	ZIHPORKPVPSAKU-UHFFFAOYSA-N	422.575	5.307	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1	608920250	FPTYNRFZPZRYSO-UHFFFAOYSA-N	418.472	5.005	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(F)(F)F)c1C	609049637	PQNCRTWRZFNPLB-UHFFFAOYSA-N	405.420	5.252	30	20	HKED	
COc1cccc([C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	609062242	IAZNTPLVUUYHFZ-MRXNPFEDSA-N	420.896	5.541	30	20	HKED	
N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1	609511619	GTLLRABLCAUFNZ-DEOSSOPVSA-N	402.542	5.251	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCCc4cc(F)cc(F)c43)c2)cc1	609642183	BRCUUHJPJUNLAJ-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
C[C@@H]1SCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1c1ccccc1	609819723	PCLIJJKDSTUTTA-SBUREZEXSA-N	415.518	5.064	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2)cc1	609986831	GQFZHNFCHWOERA-HXUWFJFHSA-N	422.488	5.463	30	20	HKED	
C[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(C#N)c1	610345180	XCNHXPPKUIGVLE-HNNXBMFYSA-N	424.331	5.968	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccc(F)cc2s1)c1nc(-c2ccc(Cl)cc2)cs1	613319359	YIGHZLLYIOXBPJ-OAHLLOKOSA-N	412.898	6.307	30	20	HKED	
Cc1cc(C#N)ccc1CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1	614403476	AXIRHCIUMIZJCC-UHFFFAOYSA-N	412.533	5.241	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	617898109	DFHJNTPMTDVARA-CQSZACIVSA-N	413.380	5.460	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)c1cn(CCCC#N)c2ccccc12	618208240	VJEXDCIKWBZSJO-QHCPKHFHSA-N	401.510	5.321	30	20	HKED	
N#C[C@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2ccccc2n1	618781141	WIRMLRKOSDJAIZ-NRFANRHFSA-N	423.428	5.212	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3nc4cc(C(F)(F)F)ccc4s3)on2)c1	619216260	MDJPGQBROQTQLO-UHFFFAOYSA-N	414.368	5.094	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)N[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cs1	619503966	MUFFECLWMANSAD-KBPBESRZSA-N	424.957	5.321	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(COc2ccc(F)cc2)o1	640537286	NONLTNOBBPFBOF-UHFFFAOYSA-N	412.420	5.045	30	20	HKED	
C=CCN(C(=O)CCCc1c[nH]c2ccccc12)c1nc(-c2ccccc2)cs1	641902176	AWNMQEVAOXLECR-UHFFFAOYSA-N	401.535	5.833	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1Cl	726436236	WEQQCOVSZNGOPF-UHFFFAOYSA-N	422.945	5.005	30	20	HKED	
COCCOc1ccc(C(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1OC	727266821	GYUHSSZHBGMWLL-DAXSKMNVSA-N	414.807	5.289	30	20	HKED	
Cc1cc2nc(-c3ccccc3)cc(C(=O)N(CCC#N)Cc3cccnc3)c2cc1C	728519216	ZCECVTZBHWQNNO-UHFFFAOYSA-N	420.516	5.470	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccc(OCc2ccc(F)cc2)cc1	728687469	HOIIZNBXWPKDDA-KRWDZBQOSA-N	419.456	5.190	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)c1	730479180	RUKUSZRKGYTMOV-OAQYLSRUSA-N	410.832	5.140	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1	731340403	NGNIUUAKXWNXLC-MRXNPFEDSA-N	416.568	5.203	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1	731538978	VSUVHMGXLQROOQ-UIOOFZCWSA-N	421.500	5.350	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)nc1O	731564584	LMDBWCNJSYKNRI-ALCCZGGFSA-N	410.804	5.479	30	20	HKED	
CCN(C(=O)COc1cccc(C#N)c1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	732963955	RNVVNKOHRHBASF-SANMLTNESA-N	413.521	5.094	30	20	HKED	
C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)N[C@H](C)c1ccc(Cl)cc1	735317921	HKFAEOOFVRIXDY-KGLIPLIRSA-N	423.365	5.395	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cc(-c2ccccc2)on1	736012804	KPGWCNSVGHUHCJ-UHFFFAOYSA-N	423.472	5.282	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1ccccc1Cl	743093455	VJLVYORCHWOJIX-UTKZUKDTSA-N	419.912	5.584	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	744025983	QPTNLKSCPOXNNA-SCLBCKFNSA-N	420.456	5.057	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1	744029301	STTUOBXBCAJVGR-HMVFGEFZSA-N	406.791	5.110	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1SCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	744074301	MRZBUGSLQULXBS-VBKZILBWSA-N	412.486	5.295	30	20	HKED	
CC(C)CN(Cc1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	746660470	RYIWMLQUAQGSQA-XMMPIXPASA-N	415.512	6.171	30	20	HKED	
C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1	750825625	HZDVYSOJHWAPHD-UHFFFAOYSA-N	409.942	5.489	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	752208039	YAGARYXEHMAADB-DNVCBOLYSA-N	407.495	5.046	30	20	HKED	
FC(F)(F)c1ccc2sc(NN=Cc3cnc(-c4ccncc4)s3)nc2c1	753166814	PILLCKLDIPBUKY-UHFFFAOYSA-N	405.430	5.280	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CCC(F)(F)F)c2)c1	753894814	WHTRSBRZFKXXEO-SFHVURJKSA-N	405.420	5.184	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)c(Br)c2)c1	755833402	VRRMAPZZNRXBRL-CQSZACIVSA-N	422.710	5.105	30	20	HKED	
C[C@H](C[C@H](O)c1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	758617222	DKBJVLJPHBOIAJ-IERDGZPVSA-N	419.456	5.123	30	20	HKED	
CCc1c(C)sc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1C#N	761675098	OGSLXABQMBMQTH-UHFFFAOYSA-N	403.479	5.804	30	20	HKED	
Cc1cc(/C=C\C(=O)c2cc(Br)ncc2F)c(OC(F)F)cc1C	762424882	UKALIQAYQRLWNF-ARJAWSKDSA-N	400.194	5.098	30	20	HKED	
N#C[C@@H](C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)c1nc2ccccc2o1	764755186	DJPRFYRMCHQYRX-XOBRGWDASA-N	411.864	5.024	30	20	HKED	
C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1cccc(OCc2ccccc2)c1	764922777	YYPNICSHGPHADS-IBGZPJMESA-N	401.462	5.015	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	767043978	GXGZTJUKZXJOHS-CYBMUJFWSA-N	402.834	5.008	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1cc(OC)c(OCc2ccccc2)c(OC)c1	767373641	LUJKETBGVSFOCK-UHFFFAOYSA-N	415.493	5.077	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCSc3ccc(Cl)cc32)ccc1OC	772986784	QNFFXEHCEQEVEO-WMZOPIPTSA-N	402.947	5.356	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1coc(-c2ccccc2Cl)n1	776518709	VORZDXCOPQDDQX-KRWDZBQOSA-N	421.884	5.081	30	20	HKED	
COc1ccc(COCc2cccc(N[C@@H](C)c3ccc(OCC#N)cc3)c2)cc1	777216456	QYZMWEIZNXBVEF-IBGZPJMESA-N	402.494	5.487	30	20	HKED	
CC(C)N1CC[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	777308949	HVXXUJXEJMCSEW-GMWOSMDTSA-N	415.940	5.256	30	20	HKED	
COc1ccc2cccc(CC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2c1	780315666	VDCWXRUVTZWRRG-SFHVURJKSA-N	406.894	5.530	30	20	HKED	
N#CC1(COC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCCCC1	780485824	SAQUPMOFEZKMHL-UHFFFAOYSA-N	402.903	5.285	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(C3CCCCC3)c2C)cc1	781449149	RZAYJPIIOLCILF-HRAATJIYSA-N	406.530	5.171	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1OCC	783401101	IPFYWGARZWGBMY-MRXNPFEDSA-N	400.544	5.218	30	20	HKED	
C[C@@]1(C#N)CCCN(Cn2nc(Cc3ccccc3)n(C3CCCCC3)c2=S)C1	784014301	MHUXMEVHGSLNPS-QHCPKHFHSA-N	409.603	5.093	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@@H](C#N)c1cnc2ccccc2n1	792111155	RRCCJLCBOYKWAE-INIZCTEOSA-N	414.534	5.465	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	799206445	IAQVHJIIGGJEGE-XDZZJOFBSA-N	417.553	5.135	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cn2cc(-c3ccc(Cl)cc3)oc2=S)CC1	799942850	HGYANLYCXBOMOT-UHFFFAOYSA-N	410.930	5.041	30	20	HKED	
C#C[C@@H](NC(=O)N(C)[C@H](C)c1nc2ccccc2s1)c1ccc(Cl)cc1F	805776475	SFGJWQRCCUWTGK-MLGOLLRUSA-N	401.894	5.166	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1csc(-c2cccs2)n1	813213669	KQIXMVLHDFUQON-LBPRGKRZSA-N	421.469	5.439	30	20	HKED	
N#CCOc1cccc(Cc2nc(-c3cc(Br)c4ccccc4c3)no2)c1	815714963	PBQXUWJYCIIKOK-UHFFFAOYSA-N	420.266	5.145	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CC2	815911368	ZPYIRGFSFAFCNG-IRXDYDNUSA-N	408.910	5.378	30	20	HKED	
O=C(Nc1ccccc1)c1ccc(CON=Cc2ccc(Br)cc2)cc1	823439669	SCAJWNIMHYZDNK-UHFFFAOYSA-N	409.283	5.252	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc3cc(Br)cnc23)c1	864028007	NYMHFLOCVFTWCL-UHFFFAOYSA-N	417.104	5.244	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(O)Cc1cccc2ccccc12	901370194	AWUCCCCEGSOGSG-UHFFFAOYSA-N	406.463	5.087	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(Br)cc2F)ccc1OC(F)F	916127017	VLUOFCWTYHAQMY-ZZXKWVIFSA-N	401.178	5.094	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(Br)c1	916309708	LHLBKVJBAIOQTA-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
Fc1cccc(Cl)c1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl	916333452	LWQDFDHTKFTMET-UHFFFAOYSA-N	401.681	5.215	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSCc1ccc(Cl)cc1	916903623	PVQJDBPSTGKSFQ-IBGZPJMESA-N	414.958	5.046	30	20	HKED	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917040702	NKJIARUSXKKEOX-AXHMDWHKSA-N	403.473	5.085	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917042717	DGPYQCQXZKZTPM-MJGOQNOKSA-N	421.909	5.090	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1ccc(C#N)cc1	917143170	DMLKGFTZFILASM-QXMHVHEDSA-N	406.283	5.019	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1	918033579	COHTZVYXDHXUES-JWQCQUIFSA-N	413.496	5.720	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1	921009803	FODMBLDNLSDRQX-UHFFFAOYSA-N	419.440	5.092	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(C)(C)C)nc4)cc3)CCC2)C1	1785778213	DYTYAXLSMLHKOL-UHFFFAOYSA-N	417.553	5.093	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1	1822104239	HJRNQVSAEQQQOQ-IWFBPKFRSA-N	414.594	5.076	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(C)c2)c(C)c1	22729500	LOJYREDPZWARGA-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc(C(C)(C)C#N)cc4)c3)cn2c1	29151363	IDLBTBMWERQPMV-UHFFFAOYSA-N	424.504	5.275	30	20	HKED	
CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(C(F)(F)F)s3)s2)cc1	29291707	WLHVNVAQVXABON-UHFFFAOYSA-N	414.434	5.024	30	20	HKED	
CCN(CC)Cc1ccc(/C(O)=N/c2nnc(SCc3ccccc3)s2)cc1	30560856	HGOWJIQRTXGEJX-UHFFFAOYSA-N	412.584	5.309	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	58989356	FVDDRPXWGTWOAU-NRFANRHFSA-N	403.869	5.206	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1F	97544186	TXBJORRJQRIMAG-UHFFFAOYSA-N	405.376	5.021	30	20	HKED	
Cc1cccc(-c2nn(CN3CCC(C#N)CC3)c(=S)n2[C@@H]2CCCC[C@@H]2C)c1	140820525	GVCOQJHXPXATQF-GHTZIAJQSA-N	409.603	5.334	30	20	HKED	
Fc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1	254404436	BLMOVLATRPBNFL-UHFFFAOYSA-N	404.470	5.208	30	20	HKED	
Cc1ccc([C@H](Nc2ccc(C#N)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1	301421302	CWFKUCOUVINLFC-QFIPXVFZSA-N	410.926	5.125	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1sc2c(c1C#N)CCC2	427486649	IMZMDDGGRMUTAV-LLVKDONJSA-N	413.955	5.429	30	20	HKED	
CCc1cc(C#N)c(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)s1	427688066	KSBNYEVMPGNIKJ-LLVKDONJSA-N	401.944	5.503	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)c2cccc(SCC#N)c2)cn1	429966746	JYVBCBSJTGAOAR-UHFFFAOYSA-N	405.479	5.059	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1ccccc1	431378064	RCTBSXITOMVSIE-GOSISDBHSA-N	411.374	5.218	30	20	HKED	
CCC(CC)n1nccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	432679133	HZCBPEARJZDLIH-UHFFFAOYSA-N	406.461	5.086	30	20	HKED	
C/C(=C\c1ccc(-c2ccc(Br)cc2)s1)c1nc(C)c(C#N)c(=O)[nH]1	435339694	XIMBHBKFQHDNOU-PKNBQFBNSA-N	412.312	5.002	30	20	HKED	
Cc1ccc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2c1	435455044	CLIXCDAVONVUJL-QGZVFWFLSA-N	416.431	5.656	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)nc2ccccc21	437555667	JKFPBPPBEGXODK-GOSISDBHSA-N	410.408	5.011	30	20	HKED	
N#CCCN(Cc1ccccn1)Cc1c(-c2ccc(Cl)cc2)nc2sccn12	438126582	YZJWVSNCKWUSFT-UHFFFAOYSA-N	407.930	5.027	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1OC(C)C	438641772	NSBWZIJGEHQKIE-ZDUSSCGKSA-N	421.419	5.256	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)cc1	443925925	WFHCOQJSCSXEDX-QHCPKHFHSA-N	401.510	5.321	30	20	HKED	
N#Cc1ccccc1/C=C\c1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1	445336639	ZFADHVGJCGAZSF-PFONDFGASA-N	422.444	5.085	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1c(F)cc(Br)cc1F	445795369	UWABUVCREDBCAT-SNVBAGLBSA-N	411.271	5.374	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1C#N	461370669	KIUNBLKNJFLSQV-UHFFFAOYSA-N	411.502	5.265	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)c2)cc1	461923332	YUYCBCMWKNECEZ-SFHVURJKSA-N	400.478	5.026	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	467930060	OSSIGLFZKGFWPY-IUODEOHRSA-N	407.367	5.294	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)C1(c2cccc(C(F)(F)F)c2)CC1	468208030	ATELVWOEZAFHHT-UHFFFAOYSA-N	407.285	5.255	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	468565583	LYDFNRTXSGQFIZ-MRXNPFEDSA-N	401.514	5.053	30	20	HKED	
CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)S(=O)(=O)CCCCC#N)c2)cc1	470622085	TYOIKEBUNOJUTK-LJQANCHMSA-N	414.571	5.157	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12	471254850	XJLYPWGNJZQJOP-UHFFFAOYSA-N	417.406	5.211	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCCc3csc4ccccc34)CC2)cc1	473434955	DOJQVPVHEQGUJF-UHFFFAOYSA-N	404.535	5.166	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	473694148	GLJMTHJIKDXJCW-UHFFFAOYSA-N	416.355	5.368	30	20	HKED	
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1	474974400	VZCXPPVDWQXEOV-UHFFFAOYSA-N	403.526	5.111	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)C[C@@H](CC#N)c2ccccc2)c1	476628659	FVPXSTQIGPWEDU-RXWNPYQGSA-N	424.544	5.840	30	20	HKED	
C=CCOc1ccc(CNCc2nc(-c3cc4ccccc4o3)cs2)cc1OC	479402335	NSKLREGRNALKIJ-UHFFFAOYSA-N	406.507	5.420	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)CC2)cc1	481559499	RARYYRYGDUIUFS-UHFFFAOYSA-N	421.913	5.051	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	481902520	UILOZCHCYPFMOV-INIZCTEOSA-N	413.502	5.793	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482405861	QAKSAFGJNMWCOK-INIZCTEOSA-N	415.337	5.022	30	20	HKED	
CCc1c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cnn1C(CC)CC	482710329	QPVFINXZOYTDMX-UHFFFAOYSA-N	416.525	5.510	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccn(CC(F)(F)F)n1	483875688	YZWLZPGPMPDVFT-UHFFFAOYSA-N	420.235	5.127	30	20	HKED	
Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)C[C@@H](CC#N)c3ccccc3)c12	484208579	YTBYEHFFVHLMQE-JOCHJYFZSA-N	423.520	5.123	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCCCc3nc4c(s3)CCCC4)c2)cc1	484295111	YGWKQRIAGAEEAE-UHFFFAOYSA-N	417.534	5.048	30	20	HKED	
COc1cc(CN[C@@H]2CCCc3c(O)cccc32)ccc1OCc1cccc(C#N)c1	484308819	FPSCVUZWVDSJBY-HSZRJFAPSA-N	414.505	5.019	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)s1	487075350	HOCYCXBWXKBIBF-INIZCTEOSA-N	423.513	5.325	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2cc(Cl)cc(C#N)c2)cs1	487456609	VDPXDUOXWIYMIZ-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nc2ccccc2o1	487928405	IOXFOCRVGOOATJ-SFHVURJKSA-N	415.430	5.377	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccccc1	489677315	IMEOPRXCRVPQKU-LJQANCHMSA-N	424.298	5.330	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	501619049	PIZICUMFMKTCAW-IERDGZPVSA-N	419.550	5.271	30	20	HKED	
O=C(CC1(C(F)(F)F)CC1)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F	504227108	TZKAKZLPGBQCHK-NSHDSACASA-N	409.248	5.037	30	20	HKED	
CCN(C(=O)c1sccc1C#N)[C@@H]1CCSc2ccc(Br)cc21	504634553	MALPEYSSKBPJQS-CQSZACIVSA-N	407.358	5.081	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C#N)c1ccccc1F	505977150	QWEOTRKOGZYWQC-HNNXBMFYSA-N	404.228	5.091	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)s2)o1	505987638	SOISQVNISHYISG-CQSZACIVSA-N	405.401	5.033	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1Cl	510004657	KEAWNVGYRJBNID-NRFANRHFSA-N	421.953	6.253	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccnc2)cc1Cl	510009821	LYZKIIKTUBCHHO-JTHBVZDNSA-N	416.912	5.759	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1	511005111	TYHAOXXZDKHNDD-UHFFFAOYSA-N	420.553	5.577	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1C1CCCCC1	511023419	CDBRUWADBVWBSH-UHFFFAOYSA-N	414.509	5.400	30	20	HKED	
Cc1sc(-c2ccco2)nc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	511084083	ZFPOSOQOSNIRFP-UHFFFAOYSA-N	417.515	5.663	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1	511955912	HIBGSRLSRPCLLO-MSOLQXFVSA-N	404.407	5.518	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@]2(CC=CCC2)C1	512524243	RYTGMWFHFBTIPX-RUZDIDTESA-N	401.510	6.013	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(F)cc1Cl	518666728	HKAVQRIQUBKPPR-ZDUSSCGKSA-N	408.951	5.745	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1C(C)C	520537916	QMNBZCRMFBCVML-DEOSSOPVSA-N	401.510	5.260	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(OCC2CCOCC2)cc1	522955720	ZEPAFYWMLQTXAZ-UHFFFAOYSA-N	412.489	5.283	30	20	HKED	
C[C@@H](c1nnc(S[C@H](C#N)C2CCCCC2)n1-c1ccc(Cl)cc1)N(C)C	524535764	RQTQUEQLBPZCPT-KBXCAEBGSA-N	403.983	5.108	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1NC(=O)NC(C)(C)C	525375058	JWSZKGBBPWGSMA-INIZCTEOSA-N	424.570	5.562	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1Cl	530614341	FCFLMBYILLHSOW-MRXNPFEDSA-N	415.707	6.555	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1Cl	533020080	BOYRVUZCHWCOBJ-AWEZNQCLSA-N	422.381	5.316	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	533356144	YMYNTDUTVPZZAW-CVEARBPZSA-N	424.595	5.322	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(N4CCc5ccccc5C4)cc3)CC2)cc1	535781666	YJPKOJFVXBPBBP-UHFFFAOYSA-N	419.528	5.050	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(C#N)cc2OC(F)F)ccc1OC1CCCC1	539253657	ODHXEAPYOXNORE-OAHLLOKOSA-N	416.468	5.340	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1	540730496	OLBSOMLMZGQKQQ-UHFFFAOYSA-N	416.452	5.743	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2cccc(Cl)c2)o1	541076199	VSKXRZUBSLQFLJ-SNVBAGLBSA-N	409.820	6.134	30	20	HKED	
CCCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1cccc(F)c1	543366431	NYFHZLGYZYJZLW-FQEVSTJZSA-N	405.477	5.130	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	546004352	VTVLGJLZPMGNEX-UHFFFAOYSA-N	403.825	5.137	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)CC1	548829060	PRPPERJWWRQUOI-DEOSSOPVSA-N	422.532	5.003	30	20	HKED	
C=CCN(CCOC)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	552189361	LFXATRWBCYJAGJ-UHFFFAOYSA-N	413.370	5.056	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1	558594340	RDDGOLXWDZTGJB-UHFFFAOYSA-N	403.532	5.209	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1	567315168	FGHVFFDAXCBJGS-PKTZIBPZSA-N	417.509	5.224	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1cccc(C)c1	588350585	ITZPSRYOECYUEG-UHFFFAOYSA-N	408.552	5.757	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1	594690043	PQJBLUBTTBNOBR-QGZVFWFLSA-N	408.567	5.855	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1	601157552	SPGWXTBUJWGDTA-UHFFFAOYSA-N	407.489	5.673	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1	603681233	ZXSVYVHAEASUEM-UHFFFAOYSA-N	400.404	5.039	30	20	HKED	
Cc1cc(Br)ccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603961520	AIKLKQWDHFGMLM-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	604317380	VNROZAOGAINOEX-IBGZPJMESA-N	402.498	5.238	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)ccc1Cl	609062421	JYHJPBSCWZMEIB-UHFFFAOYSA-N	411.288	6.005	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1Cl	609206258	GYUCTBVWLKWJGX-IBGZPJMESA-N	411.839	5.595	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl	609377799	GDDSVYFTKDIMRK-LLVKDONJSA-N	404.919	6.198	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2)c1	609426791	CJEGOIYRILYNKJ-UHFFFAOYSA-N	420.472	5.666	30	20	HKED	
COc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1S[C@H](C)CC#N	609430517	JZRPMGCALPYSTR-CQSZACIVSA-N	403.935	5.184	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1	609687917	XYEVHJNXXGGLDI-VWLOTQADSA-N	412.537	5.167	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1	610197429	LFKLYNYRYRZKIW-QFIPXVFZSA-N	419.569	5.097	30	20	HKED	
Cc1cccc(Nc2nnc(SCc3nnc(-c4ccc(C#N)cc4)o3)s2)c1C	610219015	VSDLVPDVORLXGH-UHFFFAOYSA-N	420.523	5.113	30	20	HKED	
C[C@H](NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(C#N)c1	610357050	FXGXLXQJUPAMFY-FDDCHVKYSA-N	408.505	5.232	30	20	HKED	
N#C[C@@H](C(=O)c1cccn1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	613319239	AHXOFQZTIXJDGX-IBGZPJMESA-N	417.921	5.803	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1ccc(F)cc1F	613392549	YMEXGQSFEMRLBG-MRXNPFEDSA-N	420.444	5.073	30	20	HKED	
CC(C)(C)n1ncc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1C(F)(F)F	615389813	MQYRMPONIODOEC-UHFFFAOYSA-N	411.427	5.309	30	20	HKED	
C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1	619740743	SMAVMLPRKLFSHX-RUZDIDTESA-N	424.508	5.069	30	20	HKED	
C=CCNC(=O)Nc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1	630026301	HBQUVTZCDNDJMR-DEOSSOPVSA-N	424.504	5.512	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1ccc(C(F)(F)F)cc1	676760625	KGKNLTZHCVZQJH-FUHWJXTLSA-N	406.452	5.025	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cn(C)c3ccccc23)cs1	726740333	CBSCOUDGMGSHIU-XFXZXTDPSA-N	419.481	5.355	30	20	HKED	
COc1ccc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)cc1OC(F)F	727780427	NHVOUFODIAKSJS-WMZJFQQLSA-N	413.189	5.021	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cc1	727936319	NCZLRQMCQMGAJQ-UHFFFAOYSA-N	407.857	5.356	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	728765705	OSOUKWQTKBOJQJ-SWLSCSKDSA-N	418.440	5.694	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1ccc([C@H](C)c2ccccc2)cc1	728852584	ODFZALISDGIVLO-GOSISDBHSA-N	401.510	5.104	30	20	HKED	
N#C[C@H](C(=O)CN(C1CC1)[C@H]1CCCc2ccccc21)c1nc2ccccc2s1	728914739	WJHUWTIZGGWRCJ-CTNGQTDRSA-N	401.535	5.015	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccc(N4CCCC4)cc3)c2)cc1	729675875	UPZNJGZVFLJEGW-UHFFFAOYSA-N	412.493	5.001	30	20	HKED	
N#CCOc1ccc(CNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1	729970201	VKBUUUQMQNIYKO-JOCHJYFZSA-N	424.472	5.017	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1	730394610	JEORVMKXUIJXSE-DNVCBOLYSA-N	417.317	5.755	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2o1	730398457	IOBXGHFQIPIUKX-HXUWFJFHSA-N	416.864	5.479	30	20	HKED	
Cc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2n1	730994696	LVIXVGGZPNHPAZ-UHFFFAOYSA-N	405.401	5.413	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	731288415	URLSJCHRDXWNIR-WXFUMESZSA-N	410.517	5.416	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccc(F)cc2Cl)cc1	731991483	QWYSNTLVLRYDDY-XMMPIXPASA-N	422.887	5.138	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2cc(-c3ccccc3)ccc2Cl)c1OC	732074495	QTWNUTHZCLKFMW-FQEVSTJZSA-N	406.869	5.019	30	20	HKED	
CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H](c1cccnc1)c1csc2ccccc12	732569922	AFIKGMZCLNYQFO-ODUIWNOOSA-N	423.541	5.819	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2nc(-c3ccccc3)c3ccccc3n2)ccc1OC	733302445	VAKYDXFBZRXRRV-FQEVSTJZSA-N	424.504	5.598	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccncc2)cs1	734083075	LLQZATUJWLFKTJ-QGZVFWFLSA-N	423.588	5.564	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1)c1ccncc1	734660812	BFQXVIYVVUWVLR-ZEQRLZLVSA-N	401.510	5.186	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(F)c1	734965683	NDQOWCUDBPQNCQ-WFASDCNBSA-N	400.425	5.597	30	20	HKED	
CC(C)(C)N(Cc1ccccc1)C(=O)CSCc1cc(Cl)ccc1OCC#N	735320425	RRYRMKSNQCBLSW-UHFFFAOYSA-N	416.974	5.303	30	20	HKED	
Fc1ccccc1NC(=S)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1	735981281	DWTBQHUBGXQQBF-UHFFFAOYSA-N	412.330	5.595	30	20	HKED	
N#CCOc1ccc(CC(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)cc1	741927379	KFONILKXBXLQSC-UHFFFAOYSA-N	420.578	5.191	30	20	HKED	
N#Cc1ccc(F)c(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1	742381886	QGZQJAZMXRWJAL-UHFFFAOYSA-N	411.820	5.341	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1cccc(Cl)c1	743093283	QOQASEMKNSFGCS-GAJHUEQPSA-N	419.912	5.584	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1	743198871	LPMNCOYHUYQEMS-UHFFFAOYSA-N	405.473	5.039	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1	744036787	IHCIWCQAMJRIGK-PMXLPMHFSA-N	412.436	6.109	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1-c1ccccc1	744073850	HDCFQENONAUWHG-HNNXBMFYSA-N	419.456	5.584	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)/C=C\c1ccccc1C#N	745823160	SXNWXWJHSIENES-YPKPFQOOSA-N	417.484	5.237	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1	746660593	QNKLRSVHNXVEKB-UHFFFAOYSA-N	424.932	5.029	30	20	HKED	
Cc1cccc(-c2nn(CN(C)C[C@@H](C)C#N)c(=S)n2-c2ccc(Cl)cc2)c1	746706658	OECZQEMOZYLIBO-INIZCTEOSA-N	411.962	5.081	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)cc1	747792552	WIAOQTXLGCTJSJ-NRFANRHFSA-N	410.395	5.422	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1ccc([C@@H](C)O)cc1)c1ccc(C(F)(F)F)cc1	750296264	YFPMFBRDRLEBPU-QRWLVFNGSA-N	406.448	5.265	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	754469038	IVKBXHYUWMLMOF-UHFFFAOYSA-N	422.529	5.656	30	20	HKED	
N#CC1CCC(COC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1	755975361	FGUPZRDLNICFCC-UHFFFAOYSA-N	409.338	5.533	30	20	HKED	
C/C(=C/c1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	756517161	ZBHDWZZUNSPXGV-MSKHEQNASA-N	407.684	5.398	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c1	758558335	NKEFLAWHBRGHNX-OAQYLSRUSA-N	409.848	5.293	30	20	HKED	
C/C(=C/c1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	759214547	YLUJIUILWTYQRG-OCOPJHETSA-N	407.684	5.398	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	760205083	RYZRHRVBBYNPCZ-NHYWBVRUSA-N	400.862	5.174	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1-c1ccccc1	760257781	XCKSXKWPTPBDKE-UHFFFAOYSA-N	413.525	5.096	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CC2	763953222	TWPYRLOYLZQAOB-ZBFHGGJFSA-N	410.445	5.003	30	20	HKED	
C=CC[C@H](N[C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)c1ccncc1	766022822	XLLFJCGXXGCJOR-UZLBHIALSA-N	423.582	5.423	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)cs1	766507742	XDLRQAUHIRPFAA-UHSICZIDSA-N	420.509	5.986	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)[C@@H]3C[C@@H](C4CCCCC4)CN3C2=O)cc1	771907792	UOZDBWAHIRQRAL-JRFVFWCSSA-N	413.521	5.079	30	20	HKED	
CCc1c([C@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)oc2ccc(C)cc12	777113876	OWNNOSRWIQDZEV-KRWDZBQOSA-N	403.526	5.310	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc(C(F)F)c2)cc1F	780393365	DWMZFEGXWLDSQK-UHFFFAOYSA-N	418.396	5.228	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1c[nH]c2ccccc12	786315087	WRKFZDALXKAMQU-JXFKEZNVSA-N	401.510	5.134	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccn2)nc2ccccc12	790522762	IJCAUWWOGJASEI-UHFFFAOYSA-N	406.489	5.221	30	20	HKED	
N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nccc2ccccc12	792092415	BIRYQOIMHULMAW-QGZVFWFLSA-N	405.504	5.061	30	20	HKED	
N#CC[C@H](CC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1	796741219	FEWBDSADJXULAC-RDTXWAMCSA-N	415.333	5.940	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccncc1	806819706	RISYLJHZWQCNMX-QUCCMNQESA-N	403.448	5.307	30	20	HKED	
C[C@H](N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)cc1F	810263373	NJSIELQAPPEYER-JTSKRJEESA-N	411.521	5.394	30	20	HKED	
Cc1cc(-c2cc(C(=O)OC3(CC#N)CCC3)c3cnn(C(C)C)c3n2)c(C)s1	810855461	MLNCGELUTHGAGH-UHFFFAOYSA-N	408.527	5.351	30	20	HKED	
COc1cccc(C(=O)/C(=C/C(C)=C\c2ccccc2OC(F)F)c2ncc[nH]2)c1	811689961	PZUQCFKSGQEDGG-MLBUPBODSA-N	410.420	5.390	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3OCc3ccccc3)no2)cc1	904463199	GBDDPYNBBYQMDR-HSZRJFAPSA-N	422.488	5.529	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915683757	FMKFZLCPGWEDQX-UQBPGWFLSA-N	413.521	6.012	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1	916897940	RHRSWOXCQBCTEL-QHCPKHFHSA-N	424.456	5.281	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4ccccc4c3)n2)cc1	916972219	KZQWVCNDJYMYBD-QFIPXVFZSA-N	424.525	6.111	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1	917044726	UWPOYKQUVDPPOD-VUDGCMKMSA-N	406.816	5.858	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2CC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	917069713	YHHNHHPHNHTYHK-FPOVZHCZSA-N	419.550	5.098	30	20	HKED	
Cc1sc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1-c1cccc(Cl)c1	917850468	JZSOWQILGOVGNC-UHFFFAOYSA-N	424.334	5.098	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1COc2ccccc2C1	919899926	AKHMPVNXRLOLRH-IBGZPJMESA-N	413.477	5.032	30	20	HKED	
O=C1/C(=C\c2cn3cc(Cl)ccc3n2)CC/C1=C\c1cn2cc(Cl)ccc2n1	920755056	GVIOMVSLNBQJRP-MFUUIURDSA-N	409.276	5.119	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C(=C)C(F)(F)F)CCC2)cc1	1786104359	OPLFAVQXRCECSP-UHFFFAOYSA-N	406.448	5.007	30	20	HKED	
C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1	1791220675	POORPNCRGQGKEW-XAISSLSSSA-N	401.510	5.028	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1	1791253292	ALOAUGSJTLTGRE-KRWDZBQOSA-N	402.494	5.393	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C2	1798590899	COHLKWKBUBEHOH-RZXSNQJFSA-N	416.993	5.074	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2Cl)CC1	1823753970	SLNPCIQRTYHWOD-LJQANCHMSA-N	420.981	5.159	30	20	HKED	
C[C@H](C#N)Sc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1	7558738	ANUHCDNNZUERNW-OAHLLOKOSA-N	403.532	5.177	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1cccc(C)c1C	10168319	CUXPYLAHZAAXJM-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nc2sccc2c1=O	45336199	YNWZMSQQGKAXMA-UHFFFAOYSA-N	415.927	5.245	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC(F)F	51154698	SHKWPJHWOGXIFH-HNNXBMFYSA-N	414.433	5.219	30	20	HKED	
Cc1nc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)sc1SCC#N	65072225	WOPSNGCUNBTPJR-UHFFFAOYSA-N	418.547	5.323	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccncc2)nc2scc(-c3cccs3)c2c1=O	72033853	UOUAXWJXIRGSSN-ZDUSSCGKSA-N	411.577	5.621	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1	109677949	ZIRADJKBFYXLLX-IBGZPJMESA-N	422.598	5.107	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1cccnc1	302954276	CQFHDIBLUZRYOM-ZDUSSCGKSA-N	406.433	5.278	30	20	HKED	
CC(=O)N(c1nc(/C=C2/Cc3ccc(C)cc3C2=O)cs1)c1ccc(F)cc1F	303295963	NNFZVZITDRIXTF-DHDCSXOGSA-N	410.445	5.237	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc1-c1ccccc1	303345622	ZOMLRBDIIFGINH-INIZCTEOSA-N	405.523	5.473	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1CCc1ccccc1	303367558	IYYMCPWIUPUAJB-CTNGQTDRSA-N	407.583	5.117	30	20	HKED	
COc1cccc(-c2ccc(CNC(=O)CCCCOc3cccc(C#N)c3)cc2)c1	303965004	CSQVJDUSLXMCIX-UHFFFAOYSA-N	414.505	5.099	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCCc1csc(-c2ccccc2)n1)c1ccccc1	431302067	YPGXNHDGECSGII-OAQYLSRUSA-N	404.539	5.087	30	20	HKED	
COCCn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nc(C)c1C	434645275	YRGATCKXHFLVTR-UHFFFAOYSA-N	405.567	5.138	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1	438044692	NFFVFPTTZCCRKR-RDTXWAMCSA-N	403.935	5.101	30	20	HKED	
CCc1ccc([C@H](COC)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1	438667205	BELXINSGHDZJJE-IBGZPJMESA-N	423.444	5.154	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1	439129125	HIYUBKFXKCIJCV-VQTJNVASSA-N	410.480	5.313	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccccc1	439398925	VIXASRWONSWSIV-HNNXBMFYSA-N	411.811	5.448	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCC3CCC(C#N)CC3)cc12	441145996	XDGGVGVNTONCTC-UHFFFAOYSA-N	412.946	5.109	30	20	HKED	
Cc1ccc(Oc2ccccc2)c(NCC(=O)Nc2ccccc2SCC#N)c1	441820008	XAYOVIDXAGLWKW-UHFFFAOYSA-N	403.507	5.454	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)Cc2coc3cc(C)c(C)cc23)c1C#N	445561963	XHHMFSRMFUITGC-UHFFFAOYSA-N	416.506	5.010	30	20	HKED	
CC(C)(C)c1csc(CS(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)n1	446722566	HHQPIFGMFZUOPC-UHFFFAOYSA-N	410.564	5.094	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccncc4)c(Cl)c3)on2)c1	447444424	YNRRJCDWXXDMOL-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)Nc1ccccc1S[C@H](C)CC#N	463197815	SKPBNADFFFUDLZ-CVEARBPZSA-N	400.569	5.522	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3SCCc4sccc43)cc2)c1	463482774	UXZGSLDFRGSQFC-NRFANRHFSA-N	406.532	5.168	30	20	HKED	
C=CCn1c(S[C@H](C)c2cnccn2)nc2sc(-c3ccccc3)c(C)c2c1=O	464438421	TVBDHIRIYSZDLE-OAHLLOKOSA-N	420.563	5.263	30	20	HKED	
CC1(C)CCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	466707541	UIRXHQBZMWJKOG-PZJWPPBQSA-N	423.944	5.019	30	20	HKED	
COC[C@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	467151012	VDKAUJNIPFJNQZ-KRWDZBQOSA-N	413.905	5.284	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(NC(=O)CC(C)C)cc2)c1	467417816	HTCAAMXZUBYWFD-HXUWFJFHSA-N	420.557	5.035	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3NC3CC3)cc2)nc1	467681968	LJCONUMCRCUWLI-UHFFFAOYSA-N	404.857	5.226	30	20	HKED	
CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	470098181	SSPNTZGRLBCHSY-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H](c2ccsc2)O1	470597176	CWMQUZCPLQTGLB-AOMKIAJQSA-N	419.506	5.406	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(Sc2ncccn2)cc1C	471273927	SRWLBRUCYTZTFY-UHFFFAOYSA-N	404.539	5.546	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1nnc(-c2ccc(Br)o2)o1	471661073	ZSWFPQFIGIERIN-LLVKDONJSA-N	419.304	5.098	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cs1	474426852	MCRUKAQBNQFPKE-MRXNPFEDSA-N	413.593	5.814	30	20	HKED	
COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	474497351	SXWUKVKVKPYQKE-QFIPXVFZSA-N	415.493	5.072	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1C#N	477390009	BOHOPQVERDQPIG-UHFFFAOYSA-N	409.232	5.176	30	20	HKED	
N#Cc1ccc(C[S@](=O)Cc2ccc(Oc3ccccc3F)c(F)c2)cc1F	478375049	IQGIZPCCHISKON-NDEPHWFRSA-N	401.409	5.217	30	20	HKED	
C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	480155002	SBNQRZFUJNGFEA-HNNXBMFYSA-N	406.873	5.624	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c(Cl)c1	480964007	PZPDAJHIIARTNQ-UHFFFAOYSA-N	408.870	5.403	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Oc3ccccc3)o2)cc1	482113476	JEMDUIRKRCGQJQ-UHFFFAOYSA-N	424.456	5.969	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	482124867	WFIRNNSCVHTYHU-UHFFFAOYSA-N	406.917	5.255	30	20	HKED	
CC(C)CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCCc2cccnc21	482297087	PJHXVKAIVUXDSV-XMMPIXPASA-N	413.569	5.394	30	20	HKED	
CCC(=O)Nc1ccc(-c2nc(-c3cn(CCC#N)c4ccccc34)cs2)cc1	483310737	NGCHJQFISZZPFW-UHFFFAOYSA-N	400.507	5.694	30	20	HKED	
C=C(C)COc1cc(CNCc2ccnc(Oc3ccccc3F)c2)ccc1OC	486808899	MEHGANJFAHNTSO-UHFFFAOYSA-N	408.473	5.266	30	20	HKED	
C=CCC[C@@H](C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1	488893803	FHQZNCBWGKYRGX-YADARESESA-N	413.521	5.261	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)c1cc(C)ccc1C	489684228	UDPPSXNTCBKFFR-GOSISDBHSA-N	407.539	5.023	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(C(F)(F)F)cs1	489913822	IDISNBVZOMUAGT-LBPRGKRZSA-N	417.412	5.317	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCC3CC3)cc2)cc1	498586934	GTSJYZVYTFLQRM-UHFFFAOYSA-N	414.530	5.892	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	500739565	PTFAKNAHSHBWOI-UHFFFAOYSA-N	406.869	5.502	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(OC)c1OC1CCCC1	501019441	IZROUDVJBYUWNL-UHFFFAOYSA-N	421.541	5.010	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCSc3ccc(F)cc3)c2)cc1	501445507	FDCUXQUPIYVBAM-UHFFFAOYSA-N	420.509	5.592	30	20	HKED	
CC(C)OCc1cccc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1	502234048	OTDDHRMINUMAGH-UHFFFAOYSA-N	407.392	5.068	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C)cc1OC	502619314	UPVIHFFVAWLTSY-UHFFFAOYSA-N	407.283	5.125	30	20	HKED	
C=CCn1c(SCCO[C@@H]2CCCCO2)nnc1-c1ccc(C(C)(C)C)cc1	502735866	CBGNGCAQDLKJQX-LJQANCHMSA-N	401.576	5.064	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc2C)c1	503497914	ZYHYANFUPAKYEV-UHFFFAOYSA-N	424.504	5.684	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F	503499217	RRGYFLMRQCELCA-UHFFFAOYSA-N	419.504	5.031	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	504930963	UXHLUDWRAAPQIV-OAQYLSRUSA-N	411.958	5.478	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)n1	506089041	GAEVYTSANUHOHU-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21	506241907	QGYIIXQBXSHDST-DEOSSOPVSA-N	410.521	5.344	30	20	HKED	
Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(C#N)c(Cl)c1	507085780	LCOPSDJOKIGSFZ-UHFFFAOYSA-N	416.662	5.190	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1	509178887	MTJHTTHAAUEWOL-UHFFFAOYSA-N	408.461	5.232	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1	510705383	VMFYCLVGAOKCNI-QHCPKHFHSA-N	402.881	5.056	30	20	HKED	
CN(C(=O)NCC(C)(C)CCC#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	513147300	HQYJAISRMHVAFU-HXUWFJFHSA-N	401.913	5.540	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCC[C@H]1c1ccccc1	515010414	PDQSXMHWKNHDNZ-HJOGWXRNSA-N	414.553	5.441	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	518139905	DKMIXHLUXJSFKR-CQSZACIVSA-N	418.946	5.641	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)N(Cc2ccco2)c2ccccc2C#N)c1	518656805	YVVHBAKIUOQWPB-UHFFFAOYSA-N	402.494	5.551	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccco1	518681009	IIIMKFZJVSAFGG-GOSISDBHSA-N	405.523	5.766	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CC2)c1	519137837	SRCTZILQURTWSA-UHFFFAOYSA-N	414.292	5.030	30	20	HKED	
CC(C)c1nc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1	519419810	ODBJEMOFGZQPQM-AWEZNQCLSA-N	405.614	5.533	30	20	HKED	
N#C[C@@H](NC(=O)C1CC(c2cccc(F)c2)C1)c1ccc(OCc2ccccc2)cc1	520535756	VETDLSRUWCDCGR-XUNZJTMSSA-N	414.480	5.279	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1	521769063	MAQHAFJXEGLXJG-LJQANCHMSA-N	404.341	5.220	30	20	HKED	
Cn1c(S[C@@H](C#N)C2CCCCC2)nc2scc(-c3cccs3)c2c1=O	522333280	PVDQQDARXJVFKW-HNNXBMFYSA-N	401.582	5.288	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	523424013	WPGQMJNZNYIOCA-XMMPIXPASA-N	414.509	5.456	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3ccsc3s2)cc1	524003090	QLYBMBYCEAXTOW-UHFFFAOYSA-N	407.545	5.774	30	20	HKED	
COc1ccc([C@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)cc1	524606266	AYKLWOSFNYNLHU-IBGZPJMESA-N	416.452	5.128	30	20	HKED	
N#CC1(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)CCCCC1	524624350	XNTAAXBYNLVHCR-UHFFFAOYSA-N	407.558	5.349	30	20	HKED	
C[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@@H]1c1ccccc1	532576439	BDTWJUUFDNHRPT-SBHAEUEKSA-N	407.583	5.002	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc2ccccc2s1	536178359	GEYBRNWWEIWETK-GOSISDBHSA-N	406.470	5.397	30	20	HKED	
CC(C)[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1	536813563	CPXGIEWPVAYEPV-UZKOGDIHSA-N	411.933	5.321	30	20	HKED	
CC(C)C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	537051658	CMLWHZZOYNZOMH-IBGZPJMESA-N	414.431	5.504	30	20	HKED	
N#CCc1ccc(CSc2nnc(SCc3ccc(CC#N)cc3)s2)cc1	542216059	ZQMXWLDUNPMOLP-UHFFFAOYSA-N	408.577	5.255	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ncc(-c2ccccc2)[nH]1	543880870	VCMSLOLWKWTDJU-AEFFLSMTSA-N	419.554	5.744	30	20	HKED	
CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1	549824476	PITPZVJFCOPIIC-LLVKDONJSA-N	415.337	5.214	30	20	HKED	
N#C[C@]1(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)CCc2ccccc2C1	552169810	KLTJRHKPEREEIL-MHZLTWQESA-N	403.485	5.083	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3N3CCCCC3)n2)cc1	556895485	NBTYBRCTSXUYGO-FQEVSTJZSA-N	417.534	5.299	30	20	HKED	
Cc1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)ccc3C#N)cs2)o1	557203417	OMTHHIBMIWDRRJ-UHFFFAOYSA-N	403.916	5.109	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1cccc(F)c1C#N	564551819	JKYCMXNRPMWWHI-SFQUDFHCSA-N	413.477	5.389	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2sc3ccccc3c2Br)c1	567038631	BLISAIXLNZMACE-UHFFFAOYSA-N	423.238	5.389	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)C3(Cc4cccs4)CCCCC3)CC2)cc1	568335344	WCIIMQQPLSZSDT-UHFFFAOYSA-N	408.567	5.183	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ncc(-c2ccc(Cl)cc2)o1	568338936	LCXBKYWUAGVRTR-OAHLLOKOSA-N	416.868	6.227	30	20	HKED	
CC[C@H](c1ccc(Br)cc1)c1noc(C[C@@H](CC#N)c2ccccc2)n1	575367313	SUOFLFXHPZOIFN-IEBWSBKVSA-N	410.315	5.614	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(Oc4ccc(Cl)cc4)cc3)o2)cc1	583607109	ZRNMYBQVALNQPF-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
Fc1ccc(Br)c(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	591373724	OVOBELHPHYCBCE-AOOOYVTPSA-N	408.155	5.151	30	20	HKED	
N#Cc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1	603511060	YACFRXWLOPACDW-UHFFFAOYSA-N	415.443	5.234	30	20	HKED	
Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1Cl	603959749	ZBRLDKNFFAAQJD-INIZCTEOSA-N	421.884	5.422	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)n2)cc1	604511529	KIEQAHBWWMZZAE-IAGOWNOFSA-N	424.323	5.186	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)C2CC2)cc1	608992680	JINOPXVHWPFAEX-UHFFFAOYSA-N	424.476	5.080	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccn1	609206702	ACMVSDNLWAOUSO-HSZRJFAPSA-N	400.482	5.717	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1	609315921	RAKRAFMQROVOTB-HIFRSBDPSA-N	424.957	5.321	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Sc1ccccc1	609377359	UKEONJGYYXVAOJ-MRXNPFEDSA-N	405.548	5.737	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609500172	SIRNCVWXEQJYAB-UHFFFAOYSA-N	414.505	5.400	30	20	HKED	
C[C@@H](SCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OC(F)(F)F)cc1	610218012	QMGAECXMCZAPFW-GFCCVEGCSA-N	405.401	5.501	30	20	HKED	
CCCCCn1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nc2ccccc21	610218488	XGMQFPZTWCLVHY-UHFFFAOYSA-N	403.511	5.440	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)CC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1C	610725852	IXMXSQLXQZGEHT-NRFANRHFSA-N	416.525	5.067	30	20	HKED	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1	611094453	KOHHPORKVJUBSB-SANMLTNESA-N	409.338	5.165	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OC)cc1-c1ccccc1	614429919	VIFOZGDBCNIYBB-XMMPIXPASA-N	400.478	5.123	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(F)c1Cl	619109260	MFWYYQQDGARHME-UHFFFAOYSA-N	408.860	5.685	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)s1	671781154	WEUQVCWYDUTPKA-OAHLLOKOSA-N	418.444	5.135	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cccc1-c1ccccn1	677258381	LQEMFPXKGOHNRE-KRWDZBQOSA-N	403.894	5.810	30	20	HKED	
COc1cc2c(NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)ncnc2cc1F	681378257	TUSXYGRFGAOOTB-RKDXNWHRSA-N	411.321	5.099	30	20	HKED	
CC(=O)c1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)nc1C	681635107	ANODYKJTZGLXCI-HNNXBMFYSA-N	417.412	5.020	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3F)c2)cc1NC(C)=O	726427533	NZSMAKNZKYGQCD-BENRWUELSA-N	419.452	5.268	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=S)N[C@H](C)c1ccc(Cl)cc1Cl	726463352	YDYCCKVXOOATQK-CQSZACIVSA-N	406.382	5.713	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2ccccc2)n([C@@H](C)c2ccccc2)c1=S	726960450	AUGZLJPIEXSSDR-MOPGFXCFSA-N	405.571	5.129	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1cccc2ccccc12	727954240	XNBWLZFVZYAEQA-RFAWQRTRSA-N	424.500	5.522	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(C3SCCS3)c2)c(C)n1-c1ccc(C#N)cc1	728266554	RMKWREZUIWSEDS-UHFFFAOYSA-N	419.575	5.697	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc3ccccc3n2CC#N)c2ccccc2)cc1	729767286	BSRZBUVPWASDPF-DEOSSOPVSA-N	423.472	5.010	30	20	HKED	
N#C[C@H](C(=O)Cc1ccccc1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1	729894643	OOEANEAWGCVQRB-GFCCVEGCSA-N	422.378	5.526	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)Nc1ccccc1-c1ccccc1	731321207	NVVVHFCOXDGCCH-KRWDZBQOSA-N	403.576	6.557	30	20	HKED	
O=C(O)COc1cccc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	733206424	JJXLEWOPYKQQGT-PLNGDYQASA-N	418.289	5.084	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1ccnc2ccccc12	735439775	VFDASZUKLPWJTE-FMIVXFBMSA-N	419.484	5.646	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)c1C#N	741309475	AKOMXWZZFYUQLK-ZDUSSCGKSA-N	405.479	5.126	30	20	HKED	
O=C(OCCC#Cc1ccccc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1	744185586	MUHYGFRQCMWNAL-UHFFFAOYSA-N	409.894	5.252	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ncc(Cc2cccc(OC)c2)s1	744747646	UVFWHXBPKYDPOV-UHFFFAOYSA-N	407.539	5.005	30	20	HKED	
C=CC[C@@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccncc1	745827517	LEIMWVBXHOONFX-LJQANCHMSA-N	403.448	5.139	30	20	HKED	
C=CCc1cc(/C=C(/Cl)c2nc(O)c3ccc(Cl)cc3n2)cc(OC)c1O	747063634	OUUHXTBTJIKKLQ-OVCLIPMQSA-N	403.265	5.168	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	749464416	WGOHOBUMKSTTHC-LBPRGKRZSA-N	415.868	5.097	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12	752037369	FDMCQEVZHXOGJY-URXFXBBRSA-N	407.473	5.407	30	20	HKED	
COc1ccc(CCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OC)c1	753967493	CRZVVEDOAITOAK-XMMPIXPASA-N	414.505	5.321	30	20	HKED	
O=C1/C(=C/c2ccc(O)c(F)c2)CC2(CCOCC2)C/C1=C\c1ccc(O)c(F)c1	755599949	WWLYICQBRKXHDW-BEQMOXJMSA-N	412.432	5.003	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)CCSc1ccnc2cc(Cl)ccc12	760797305	HWFJIVZVRDQHNO-UHFFFAOYSA-N	415.877	5.051	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1F	764606010	NXTVRHATKJJPBO-MNOVXSKESA-N	404.388	5.346	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1Cl	768466928	LLYCRAYDXAEUKN-AWEZNQCLSA-N	417.003	5.123	30	20	HKED	
CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1	772153916	QQTUUTSTFJNOAX-UHFFFAOYSA-N	415.501	5.243	30	20	HKED	
Cc1c(C(=O)OC[C@H](C#N)Cc2cccs2)sc2nc(C(F)(F)F)ccc12	772736694	NZBDWSFIMMBENQ-NSHDSACASA-N	410.442	5.224	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1	775527706	UANPMDVJJNRAEC-NHCUHLMSSA-N	412.537	5.043	30	20	HKED	
C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1	779712541	IGTCXTRNZFQPLB-QZTJIDSGSA-N	401.466	5.209	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(SC(F)F)cc2)cc1	781545240	CHHQPTZZGLUVHH-WCIBSUBMSA-N	400.450	5.210	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cn1c(S)nnc1-c1ccc(C)cc1	789887344	BKHUCKXKVUGXBJ-UHFFFAOYSA-N	406.555	5.033	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)OCCCC2(C#N)CCOCC2)cs1	800106594	GRQRYICDDZLXQX-UHFFFAOYSA-N	416.568	5.001	30	20	HKED	
N#CCCCCCC(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	805697138	UHXDBFMLOBYMBS-UHFFFAOYSA-N	414.914	5.487	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C1/C[C@@H](C(=O)O)c2ccccc2C1=O	806561723	YXHLWZQQUUZEFO-CJBPROBKSA-N	420.896	5.040	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(F)c(Br)c(Cl)c1	806722874	UJMRYJTYEXEHNE-SECBINFHSA-N	412.646	5.176	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(F)c3)n2)cc1	810549568	NMVAKJWWPDBFQH-OAHLLOKOSA-N	400.862	5.030	30	20	HKED	
O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1F	814191190	MXWAZTKOJIULDX-FPYGCLRLSA-N	418.833	5.319	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(C)cc1	912837985	UERDRPKOQOCKMQ-UHFFFAOYSA-O	401.555	5.326	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1	915085213	IRMPWZBEADCXSV-QHCPKHFHSA-N	405.461	5.128	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(C)C)cc1	915351879	HLPGBQDGLVPZKH-JWQCQUIFSA-N	413.521	5.869	30	20	HKED	
Cc1c(Cl)cccc1NC(=S)Nc1cccc(OCc2cccc(C#N)c2)c1	916000798	RXZKHOYIXCFVKI-UHFFFAOYSA-N	407.926	5.908	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)Nc1ccccc1	916899828	GMTCMTZQLUMSRJ-ANGAQGJPSA-N	406.894	5.429	30	20	HKED	
N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Cl	916911773	XORBVTLCYWLTNZ-NSHDSACASA-N	413.713	5.086	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976496	PSVDNQCXBCTZKV-KDOFPFPSSA-N	412.967	5.962	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917044917	VTLBPBBUZSONFY-CQSZACIVSA-N	424.444	5.813	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1coc(-c2cccc(Cl)c2)n1	918775581	PYLQMDJJBCMCDM-HXUWFJFHSA-N	410.857	5.013	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	920003062	HHOTYNBNMBEQLC-ZDUSSCGKSA-N	407.322	5.127	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(SC(F)(F)F)cc1	920102149	QPCWGAQTINFBHW-OAHLLOKOSA-N	402.397	5.294	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3nc4ccccc4s3)n2)cc1	920139598	VPQRCVKLFGIQJC-SNGWPZLWSA-N	417.515	5.318	30	20	HKED	
C[C@@H](Cc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	921131504	KJNSLOUMRYXAJH-NHYWBVRUSA-N	406.404	5.509	30	20	HKED	
CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1	1787616383	HEJJJHUBUGHTMW-OAQYLSRUSA-N	402.604	5.045	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(C)n3)CCC2)cc1	1789453315	VNFQSGUUHWTCGE-QFIPXVFZSA-N	417.553	5.215	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC4CCC4)CCC3)cc2)c1	1792124095	KGNVZCNHDJUQBW-GOSISDBHSA-N	415.537	5.252	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1	1792264309	QPMGERRBBMDBGJ-UHFFFAOYSA-N	406.526	5.047	30	20	HKED	
C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12	1801203472	LTLIPDXIKVHILK-AKHDSKFASA-N	416.521	5.050	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)[nH]n1	1819307463	UZOVBWVUUVSJIW-ICSRJNTNSA-N	412.578	5.163	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2cccc(C)c2)cc1	22729766	DUFQNPWERCFXCO-UHFFFAOYSA-O	419.570	5.349	30	20	HKED	
CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nc(C(F)(F)F)cs3)s2)cc1	31509865	BVTNXMUTJDYUIS-UHFFFAOYSA-N	413.446	5.629	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1	65473695	KKZXXVIZFBZNBF-UHFFFAOYSA-N	408.889	5.070	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1NC(=O)c1ccccc1	78668608	CQMFBDNBWKMFTA-UHFFFAOYSA-N	415.518	5.505	30	20	HKED	
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(OCCCC#N)c1	111161302	WDAICNVLOQDTBB-SFHVURJKSA-N	415.493	5.166	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC3(c4cccc(F)c4)CCOCC3)c2)c1	237750501	KBCIBBXUPOULSI-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1	247632945	BUEDEVGOUODAKJ-UHFFFAOYSA-N	403.869	5.035	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CCc1ccc(C#N)cc1	303322059	RKPLIHNAQGNTEW-CQSZACIVSA-N	409.942	5.454	30	20	HKED	
N#Cc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1C(F)(F)F	322298166	TZPLBDQVCZFRBX-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccoc3C3CC3)s2)c(C(F)(F)F)c1	409461446	RCGMZKGAKDWEBF-UHFFFAOYSA-N	417.412	5.347	30	20	HKED	
COc1ccccc1C[C@@H](C)N(CCCC1(C#N)CCOCC1)Cc1ccccc1	410344313	KHOJZABMNJTCSC-JOCHJYFZSA-N	406.570	5.229	30	20	HKED	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)sc2ccc(C#N)cc12	428111055	KOXRIYUXTNHATI-UHFFFAOYSA-N	424.547	5.050	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c(Cl)c1	430357435	OTASMZJLOROMDX-UHFFFAOYSA-N	421.831	5.535	30	20	HKED	
N#CCC1(CNC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1	431133966	WBTVHDKFMBHTOF-UHFFFAOYSA-N	408.420	5.419	30	20	HKED	
N#CCCn1cc(CNc2cc(Cl)cc(C(F)(F)F)c2)c(-c2ccncc2)n1	433324345	AFFBDEJQFMBRNA-UHFFFAOYSA-N	405.811	5.143	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccccc1SCc1ccccc1OC	436385569	ISFPUIPZUCDIPS-HTAPYJJXSA-N	412.555	5.090	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C	437314177	HFDPQTGNTGXHAG-UHFFFAOYSA-N	418.806	5.285	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(Oc3ccccn3)c2)c1	437489621	IGGLDUBJWOUTFJ-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4cc(C#N)cs4)cc3s2)s1	437661414	NQPINHHGRZAXOZ-UHFFFAOYSA-N	424.532	5.104	30	20	HKED	
Cc1ccc(C[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccn2)cc1	438633631	OCUNZJKDDKYZMI-OAQYLSRUSA-N	424.426	5.386	30	20	HKED	
Cc1ccc(/C=C/CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	440566836	FZIZFCGXSABNFX-NSCUHMNNSA-N	406.536	5.053	30	20	HKED	
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cn(CCCC#N)c2ccccc12	444227981	SJIMHQDPECVBHW-GAJHUEQPSA-N	421.928	5.201	30	20	HKED	
CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	444475769	GCDSOXQHAXSURO-UHFFFAOYSA-N	413.477	5.082	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)c(F)c1	445674841	UVKSCPPZTRCXSE-UHFFFAOYSA-N	406.417	5.116	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1C	460341694	OUBNNTNNNVYSQY-KRWDZBQOSA-N	409.505	5.651	30	20	HKED	
C=CCC[C@H](NC(=O)N(CC)[C@@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1	460931671	LVABYMVBZLTYOS-MOPGFXCFSA-N	412.496	5.702	30	20	HKED	
C=CCC[C@@H](NC(=O)N(CC)[C@@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1	460931674	LVABYMVBZLTYOS-RTBURBONSA-N	412.496	5.702	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	462910135	CLFKRWFWQAGCQJ-DVECYGJZSA-N	416.452	5.140	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	463286948	WLYVFIWDTMYKBR-MRXNPFEDSA-N	423.513	5.094	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1csc(COc2ccc(F)cc2)n1	464826314	ZRHISBPTMZLHTO-FCHUYYIVSA-N	407.514	5.133	30	20	HKED	
COC(=O)c1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	470860459	PYLSYGNTBYVIQB-INIZCTEOSA-N	423.328	5.414	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1	471240272	HNTQQFTVXBOXEX-UHFFFAOYSA-N	405.542	5.313	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2-c2ccc(Cl)cc2)c(F)c1	471378924	AQQHHQSSSWEPSD-UHFFFAOYSA-N	403.215	6.063	30	20	HKED	
N#CC[C@@H](CC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1	476764618	OAXSGCOESSNOEP-KRWDZBQOSA-N	401.491	5.260	30	20	HKED	
C=CCOc1ccc(C(=O)N(CCC)CC(=O)Nc2ccc(Cl)cc2Cl)cc1	478145925	OLOHOJYZSQHPJS-UHFFFAOYSA-N	421.324	5.049	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)c1	479584145	AJFPZGYMZVEZCK-NRFANRHFSA-N	417.322	5.512	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(Oc4cccnn4)c3)c2)cc1	479817658	KTUNIQDIDBZZDL-UHFFFAOYSA-N	407.433	5.136	30	20	HKED	
N#CCCCOc1cccc(CNc2cc(Br)ccc2N2CCCC2)c1	482666884	VBJDDOCTDABJQM-UHFFFAOYSA-N	414.347	5.344	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nccc4ccccc34)cs2)cc1	483222768	BVFQMDZFMJMMMB-HXUWFJFHSA-N	413.502	5.637	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)c2)cc1	483356008	SSVLSHXRNCDPKO-QHCPKHFHSA-N	424.460	5.331	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1	483386641	XDYPEGXQPYREJC-UHFFFAOYSA-N	409.536	5.516	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1	483444642	WVNXTBOCJRASIE-UHFFFAOYSA-N	423.472	5.177	30	20	HKED	
CC(C)(CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(F)(F)F	483512807	KPPUQJVNZWGGIH-UHFFFAOYSA-N	424.316	5.949	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C	484468298	BTYWFDFOAJPJMB-UHFFFAOYSA-N	409.559	5.285	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3cc(C#N)ccc3F)CC2)n1	485131284	FLUOZDNCRQOFEZ-UHFFFAOYSA-N	407.514	5.209	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)s1	487082371	CXVSEOYNMBGDNW-MRXNPFEDSA-N	423.513	5.325	30	20	HKED	
C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCC1=O	487238036	VLJFUKRMMQLHRW-KGLIPLIRSA-N	416.399	5.313	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)s1	487335025	MSNUDTCZONQUIL-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCCO3)cc2)CC1	494212218	LAYXMEXLHJEDKK-LJQANCHMSA-N	410.901	5.095	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc(C)nc21	499841184	TVSVMFOMAVNZJG-SJCJKPOMSA-N	416.312	5.012	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1	502239889	ZUHQNKDTINBCOT-UHFFFAOYSA-N	414.465	5.265	30	20	HKED	
CCOc1ccccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	502618598	AYZFVILBQRPFKI-UHFFFAOYSA-N	401.466	5.374	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc23)nc(C)n1	505306208	RXXLQDCTRRIWAK-QFIPXVFZSA-N	406.489	5.416	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)n1	505825939	LJMYTHXTWGPOLU-HXUWFJFHSA-N	402.498	5.152	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21	506390577	YPIRIDZWBMEQEM-OXJNMPFZSA-N	423.586	5.449	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1	506901620	VBVHECSZCKVILX-UHFFFAOYSA-N	403.404	5.655	30	20	HKED	
Cc1c(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)sc2ccc(C#N)cc12	512995611	FRTHVGVFJZDJJG-UHFFFAOYSA-N	422.403	5.804	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	516136189	YDJSZZYNUAXEGF-IIBYNOLFSA-N	402.519	5.497	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2nc3ccccc3s2)cc1	518038856	QXJJSYUSJUAUMY-UHFFFAOYSA-N	417.465	5.072	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CCC#N)CC(C)(C)C)c3cnn(C(C)C)c3n2)c(C)o1	519114930	RCZALKRIQNSVBU-UHFFFAOYSA-N	421.545	5.291	30	20	HKED	
Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n(CCC#N)n1	520111488	RQQOYBHIEFQEHB-UHFFFAOYSA-N	405.310	5.393	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C	521545507	QOKSMCOTJBDLLO-UHFFFAOYSA-N	408.976	5.055	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F	522610150	SZMLZJSQKZOCEM-UHFFFAOYSA-N	412.477	5.452	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl	523947451	DWASJYZZCJVPCX-UHFFFAOYSA-N	410.857	5.423	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1Br	524114541	GEWDNCUHDVNOSV-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F	530983559	OQAFGQBGAZLOQN-UHFFFAOYSA-N	409.383	5.081	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)cc2)cc1	534082960	ZRMACXNOQNMBCS-UHFFFAOYSA-N	423.519	5.314	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2scnc2C2CC2)cc1	535699733	KLTWWOOVTDASPT-UHFFFAOYSA-N	406.486	5.266	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)Nc2cc(C)n(CCC#N)n2)C(C)C)s1	538620322	YKRYVDGVKRLGER-UHFFFAOYSA-N	421.570	5.585	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2ccccc2OCc2cccnc2)cc1	540202078	HJVRABBJIKAZPX-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
CC(C)(C)n1cc(C#N)c(NC(=O)c2csc(-c3cccc4ccccc34)n2)n1	540860454	BZUNIXSXSRGQHM-UHFFFAOYSA-N	401.495	5.039	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541089080	IEKVVFOFEUCMRY-GOSISDBHSA-N	424.504	5.024	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543017993	SRSVKCOMULUYTC-FQEVSTJZSA-N	420.516	5.556	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nn1[C@H](C)C1CC1	543157264	YZNNRCVLZMWFGM-QGZVFWFLSA-N	400.482	5.273	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)CC1	543828493	VHKCMROZWGMDFK-UHFFFAOYSA-N	421.888	5.233	30	20	HKED	
N#Cc1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)cc1Cl	548307491	MKIPSNJSOVYVJZ-LJQANCHMSA-N	424.863	5.158	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(CC#N)CC1	549702498	QGFPTQKWKRWUQV-IBGZPJMESA-N	415.541	5.277	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccco2)c1	568669246	VPHFGYZIFSVGPS-UHFFFAOYSA-N	421.456	5.251	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N(Cc1ccco1)Cc1ccco1	569649171	BGBINHJOSQOPIJ-KRWDZBQOSA-N	422.460	5.136	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCc3sc(Cl)cc32)cc1	570436075	AGASZMGFNXTEPT-QGZVFWFLSA-N	415.946	5.025	30	20	HKED	
CC(C)CN(C(=O)c1nc2ccccc2cc1Br)c1ccc(C#N)cc1	572155520	LEVQERUHFOONAW-UHFFFAOYSA-N	408.299	5.172	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccccc2OCc2cccc(Cl)c2)CC1	573645791	VXVNUSXHNNESGY-UHFFFAOYSA-N	413.949	5.081	30	20	HKED	
Cc1cc(NCCCC2(C#N)CCOCC2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F	581995937	LPUQNXITKCMCTE-IBGZPJMESA-N	423.532	5.138	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CCC)c2cccc(C(F)(F)F)c2)cc1	588711670	AHSDCNHMHZAYRI-IBGZPJMESA-N	419.447	5.284	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	603689850	QSUYDPVNXKXQRT-QGZVFWFLSA-N	416.481	5.415	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1	609209191	VGCFOKOTUYAZAI-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)c2)cc1	609209892	SSAURYKPECKQFR-UHFFFAOYSA-N	413.452	5.811	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCO[C@H](c4ccccc4)C3)cc2)cc1	609253005	ZAVKZAOVOXVOKC-DEOSSOPVSA-N	413.477	5.346	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1	609376449	AHWRBWRDJPHJAJ-MBSDFSHPSA-N	418.587	6.410	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)cc1F	609389358	MIIQMCUKWPPMSS-ZIAGYGMSSA-N	406.523	5.792	30	20	HKED	
COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	609398004	ASISHLKKQAGAKV-SFHVURJKSA-N	411.571	5.236	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	609414725	ONKFVONKCLUAFM-HNNXBMFYSA-N	402.306	5.420	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	609428518	RJBHFICURDICCF-KRWDZBQOSA-N	413.502	5.997	30	20	HKED	
Cc1nc(C)c(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1	609732850	MBLFWJNKPVEZHQ-UHFFFAOYSA-N	411.914	5.050	30	20	HKED	
CC(C)n1c(CCNC(=O)c2ccccc2-c2ccccc2C#N)nc2ccccc21	609838873	IJZJZTVCUYREEG-UHFFFAOYSA-N	408.505	5.128	30	20	HKED	
C=CCCCN(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	609909065	MOSAKNKQUCZTMR-SDXDJHTJSA-N	421.522	5.560	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	610313475	UPAMMINHPSKOMX-UHFFFAOYSA-N	406.461	5.310	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1cccc(Br)c1	610760740	UMABTAVSGKZBRM-RTWAWAEBSA-N	411.343	5.070	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1	611261808	DWRPBQYADZPWHI-UHFFFAOYSA-N	414.480	5.186	30	20	HKED	
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)c1	614439813	LKPWKOZLZJCXHF-FQEVSTJZSA-N	418.456	5.479	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@H]2CCc4cc(C#N)ccc42)CCC3)cc1	618808256	ZYNUPYYDUVXAPI-SFTDATJTSA-N	401.535	5.345	30	20	HKED	
CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	619804418	XTMLSQLKTPSJOY-UHFFFAOYSA-N	424.976	5.249	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	678208185	NEJQQLUREDBSEE-KBPBESRZSA-N	423.376	5.191	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)s1	681356611	GKYAIIKHMJWQCN-OAHLLOKOSA-N	407.495	5.666	30	20	HKED	
CCCCCCC[C@@H](C)CNC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1	726708465	NYKWQCZLWAXKQD-GOSISDBHSA-N	413.566	5.017	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1	726940570	YDGHRYJKPONRDW-UHFFFAOYSA-N	405.523	5.466	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cccc(OCCCC#N)c1	727267811	RVHXNCZEVGCAGZ-GHXNOFRVSA-N	406.482	5.836	30	20	HKED	
CC(C)[C@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	727628960	PKFXCUOKZJIWEX-JXFKEZNVSA-N	413.493	5.566	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2csc(-c4ccccn4)n2)CC3)cc1	727655008	RGOPJXNCRPLEAJ-VBKFSLOCSA-N	415.543	5.850	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)NCc1ccc(OCC#N)cc1	727844845	PZFQSFDCJFGRTA-GOSISDBHSA-N	405.523	5.123	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)NCCc1cccs1	727978942	PTVFEMJRSOSLIC-UHFFFAOYSA-N	407.564	5.036	30	20	HKED	
C#CCOc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1	730978014	RPJRYDZROMHBDC-UHFFFAOYSA-N	412.420	5.412	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	730989160	HZDGJWFNIWMCFZ-XSLBHYSZSA-N	408.523	5.164	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C\c1ccccc1OC(F)(F)F	731025832	OMANBSFMFAXUKR-BMSUMIBZSA-N	406.429	5.489	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)c1nc2ccccc2s1	731768823	RVKDZGHBLSAFBS-JYBLJSLWSA-N	413.502	5.523	30	20	HKED	
Cc1csc(Nc2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2)n1	732088048	ITWBLKWGCNQCFJ-UHFFFAOYSA-N	403.467	5.011	30	20	HKED	
C=CC1CCN(Cn2nc(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2=O)CC1	732181336	PQXHJTDJCKVWLQ-UHFFFAOYSA-N	414.336	5.226	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)c2)cc1	733034181	RWZGKDQFNUCKCS-HSZRJFAPSA-N	419.431	5.998	30	20	HKED	
N#CCCCOc1cccc(/C=C2/CCOc3c(Br)cccc3C2=O)c1	733748784	JJYATDWRFJRDHU-SSZFMOIBSA-N	412.283	5.180	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	735014996	OPVIAAFLLXMEJM-CYBMUJFWSA-N	407.297	5.165	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCC(=O)c2ccccc2F)c1	735162678	FOAOKQFOMCDHEW-UHFFFAOYSA-N	409.800	5.183	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)s1	736432582	AXKQKVSEKVCLCC-YPKPFQOOSA-N	420.534	5.354	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(c2cccc3ccccc23)CC1	739844128	BVOQYFAEYJFMES-UHFFFAOYSA-N	407.521	5.116	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)o1	740479158	OFHRYMOXPYMDFI-IFMALSPDSA-N	409.530	5.350	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl	741519969	BKMQYGIDDOQRMF-UHFFFAOYSA-N	421.280	5.077	30	20	HKED	
CSc1ccc(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F	741847519	OWMGPTRMMJOKOO-SREVYHEPSA-N	400.456	5.475	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1OC	742437735	WSNJGAZKPYQBMV-QPJJXVBHSA-N	417.299	5.173	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1Cl	743007005	AIABNQUBPFZKPK-UHFFFAOYSA-N	415.305	5.861	30	20	HKED	
Cc1ccsc1/C=C1/CN(Cc2ccccn2)C/C(=C/c2sccc2C)C1=O	747316729	APAZYUSWMBHNKO-ZAORYEFMSA-N	406.576	5.373	30	20	HKED	
C#CC[C@H](OC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)c1ccccn1	753554436	ZZWVJQULQZFZGG-IBGZPJMESA-N	413.260	5.497	30	20	HKED	
COc1cc(Cl)c(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)cc1Cl	753887445	JQBXRPXGZRMNJJ-PXNMLYILSA-N	407.322	5.510	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2ccccc2)s1	756836662	CKYHHIFUOKQPIH-QGZVFWFLSA-N	403.551	5.421	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)c1	759217409	AZMXHAZHWOVHIA-HNNXBMFYSA-N	403.309	5.022	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3cc(C)ccc3C2=O)cs1	763117622	WMJLDXYPFVQWSU-QGOAFFKASA-N	418.518	5.493	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(C)cc2O[C@@H]2CCOC2)cc1	766581633	LQJWYVGYMKTBSF-XMSQKQJNSA-N	401.934	5.145	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1	769510760	RTVJLUHAGWDMRC-UHFFFAOYSA-N	413.562	5.191	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCOC(=O)c1cn(CCCC#N)c2ccccc12	769543295	IYXYWOIOTCUSBO-UHFFFAOYSA-N	417.509	5.138	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc(Cl)c1OCCC(C)C	780152957	UVKJVEVBXAQGML-OAHLLOKOSA-N	416.905	5.317	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c3ccccc3n2)cc1	780169351	JEYFFPTWVVXIDP-QGZVFWFLSA-N	423.472	5.454	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	780671528	SBQHNIXQISTBGJ-KSSFIOAISA-N	403.404	5.365	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)NCc3ccc(C#N)cn3)cc2Cl)cc1	782033830	ANDQADROTNFOHP-UHFFFAOYSA-N	424.913	5.088	30	20	HKED	
Sc1nnc(CSc2ccccc2)n1N=Cc1c(Cl)oc2ccccc12	782239640	AHPAKYMILGFPGS-UHFFFAOYSA-N	400.916	5.141	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CC=C(c3cccc(Cl)c3)CC2)c1=S	794675171	VOXYNPSSXNLYTN-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1	796040627	JAPPLZNWOALFIV-UHFFFAOYSA-N	416.264	5.202	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(CC[C@H](O)c4ccccc4)c3)CC2)c1	797088816	PEYPQHPOMHZZPF-DEOSSOPVSA-N	414.480	5.034	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-c2ccc(C)o2)nc2ccccc12	804462049	CFQAEBOUGRTCPP-UHFFFAOYSA-N	416.477	5.107	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)c1	807972093	MGPZABCDUCWGAN-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1	915086942	YPMYOELCUKFEPQ-JWQCQUIFSA-N	412.489	5.152	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccnc2)ccc1OCCOc1cccc(C)c1	916137373	ZNDXTZMZIZLRLB-LUAWRHEFSA-N	403.478	5.143	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OC(F)F)c1	916908870	OAQFENOMOHWJHN-SFHVURJKSA-N	422.387	5.041	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3COc4ccc(Cl)cc4C3)n2)cc1	916972577	OLDACHDNNMAZCB-AEFFLSMTSA-N	408.910	5.200	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SC(F)(F)F)c1nc2cc(Cl)ccc2s1	917046810	MYWXTRRUWIVTOR-LLVKDONJSA-N	412.845	6.052	30	20	HKED	
C[C@@H](OC(=O)c1cccc(CC#N)c1)C(=O)Nc1ccccc1Sc1ccccc1	919310735	OIOQUEBIAURDFL-QGZVFWFLSA-N	416.502	5.088	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1	920279905	TWNBNJORELXGKD-GOSISDBHSA-N	413.424	5.601	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1	1828129392	KDZLHFDYDAAEFO-XMSQKQJNSA-N	422.569	5.187	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cc(C)cc(C)c1	10172475	SOWXEIYJYVGYMF-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N	11461050	OZSDOABQTFDYBF-QGZVFWFLSA-N	416.502	5.202	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nnc(-c2cccs2)o1	32786732	RDPOLFJRTKKOGU-CQSZACIVSA-N	409.540	5.020	30	20	HKED	
CC(C)c1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(F)cc1	55570091	KWWRRXASQSGOGV-UHFFFAOYSA-N	406.461	5.070	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1	60351424	ZTTMEZTXBIHANT-AWEZNQCLSA-N	424.403	5.043	30	20	HKED	
C[C@@H](SCc1ccccc1)/C(O)=N/c1nc(-c2ccc(Br)cc2)n[nH]1	63497020	PDYSRIRJLLWDRT-GFCCVEGCSA-N	417.332	5.144	30	20	HKED	
CC(C)(NCc1cccc(OCc2ccccc2C#N)c1)c1ccc([N+](=O)[O-])cc1	236704224	TZDRDQLXBSXIHT-UHFFFAOYSA-N	401.466	5.070	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1	303136882	ALEYVHWSTZBSLR-UHFFFAOYSA-N	422.360	5.099	30	20	HKED	
Cc1ccc2oc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)nc2c1	303546771	GXFWEDYIYHDNSB-HNNXBMFYSA-N	405.504	5.228	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1	410346775	KUKWZTVTBHJAKW-KRWDZBQOSA-N	416.481	5.534	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN(C(C)C)[C@H](C)c2ccccc2)n(Cc2ccco2)c1C	428861948	LWCUSWOCXLJWGY-HXUWFJFHSA-N	418.541	5.028	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nnn1C(C)C	429682388	NJDGHQJDRAISTJ-CYBMUJFWSA-N	420.325	5.088	30	20	HKED	
N#CCSc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1	430618378	TUGAZRIUGFEXFC-UHFFFAOYSA-N	403.463	5.057	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(OCC2CC2)c(F)c1	431296251	TYNUNTFWSUGDMD-VGOFRKELSA-N	409.505	5.410	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1C	433011407	OCIIDQAMKCGKES-QHCPKHFHSA-N	407.558	6.257	30	20	HKED	
Cc1nccn1CCCN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437394907	MUDZAQGGOZRRRF-OAQYLSRUSA-N	421.932	5.054	30	20	HKED	
C[C@H](NC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1	437827827	IVLVVXYMWAOHAZ-GJZGRUSLSA-N	401.432	5.573	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3c(F)cccc3Br)c2)cc1	438449776	MTAHPIKBLDZWDY-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
Cc1occc1C(=O)Nc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1F	439311676	FLZZWFSQVNYEOM-FQEVSTJZSA-N	420.444	5.146	30	20	HKED	
CCOc1cc(Br)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1	439490318	HBLJHEOWQCKPIU-MRXNPFEDSA-N	402.292	5.014	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@H](CCC#N)c3ccccc3)c2)no1	439669782	XCTUNFJTJOVJLT-HXUWFJFHSA-N	402.498	5.100	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cnn1-c1cccc(C#N)c1	439670029	DPIXFEGZDMVPBZ-OAHLLOKOSA-N	423.467	5.200	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1	441477595	YUMDWXSUQDDOON-SFHVURJKSA-N	424.504	5.477	30	20	HKED	
COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)s2)cc1	442670740	DVEVTILROHSAFM-CQSZACIVSA-N	424.432	5.054	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)c2ccccc21	444304179	WHZYANRQNSDHDV-UHFFFAOYSA-N	404.470	5.460	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@H]1C	460580939	ZCQPITBEZACTBN-ACJLOTCBSA-N	407.345	5.136	30	20	HKED	
Cc1sc(NC(=O)[C@@H](C)c2cccc(C#N)c2)nc1-c1c(F)cc(F)cc1F	462024616	FIHFFKAMSBUEKD-JTQLQIEISA-N	401.413	5.150	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1C(C)C	464403340	BEIPNXVQWQPZOV-INIZCTEOSA-N	412.415	5.208	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OC	464474303	KAHCQZAQSYBKPE-CYBMUJFWSA-N	412.795	5.041	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	470622232	FTZGHMUNHMQWFO-WFASDCNBSA-N	408.807	5.417	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	474737300	NEGRCTZLYKFMIQ-IRXDYDNUSA-N	419.912	5.663	30	20	HKED	
COc1cccc([C@H](NCc2ccc(Cl)cc2C#N)c2cc(F)ccc2OC)c1	478387431	JWJYRZLLFBYXDX-QHCPKHFHSA-N	410.876	5.247	30	20	HKED	
C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	480154155	PONNZFUWSBEDDX-OAHLLOKOSA-N	406.873	5.624	30	20	HKED	
CC(C)CN(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@H]1CCCc2cccnc21	480979494	MOVCOQZLKFWKDZ-NRFANRHFSA-N	406.530	5.308	30	20	HKED	
N#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c(Br)c1	481301551	PNHGATJUHSWHIM-INIZCTEOSA-N	401.201	5.243	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(C)cc1	481339451	MBKFIVSXYWRYRG-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(NC(=O)c2cccc(F)c2)c1	481921729	OCHOWYKQMUOZPO-RUZDIDTESA-N	413.496	5.507	30	20	HKED	
CN(CC(=O)Nc1sccc1C#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	482983106	NQDVEQYNJUSBGJ-FQEVSTJZSA-N	413.905	5.072	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)Nc3cccc(OCCCC#N)c3)c2C(C)C)cc1	484182982	VWHGDNLJIOFJQU-UHFFFAOYSA-N	417.513	5.631	30	20	HKED	
Cc1cc(F)ccc1CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	486261332	USIMIBLITZKUNI-UHFFFAOYSA-N	417.484	5.443	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](CCCC#N)c1ccccc1	487422966	YEJVLAVDGNBEQR-MGPUTAFESA-N	417.322	5.318	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CC(C)(C)C#N	488011833	FJEJYMGHXIFXCY-UHFFFAOYSA-N	403.404	5.145	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCC[C@@H](C)C1	488096401	FMTOLMLWQDKPCM-GUDVDZBRSA-N	415.603	5.084	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccccc2F)s1	496288065	XZJARYKOPAUPRK-UHFFFAOYSA-N	408.502	5.187	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1C(C)C	499428579	WCRMARPBMZAZQY-UHFFFAOYSA-N	416.525	5.365	30	20	HKED	
N#C[C@@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	499835876	FNTLHNIBSOVPHX-JOCHJYFZSA-N	402.881	5.351	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)c1	502464416	RNSLLPNJCGONDS-UHFFFAOYSA-N	418.453	5.047	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1ccc(SC(C)C)cc1	504703043	LYXZGUSZZHXIIZ-QGZVFWFLSA-N	412.555	5.104	30	20	HKED	
CC(C)(C)c1noc(-c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)n1	505314013	WVHBJFWULBCRIA-OAHLLOKOSA-N	402.479	5.134	30	20	HKED	
N#CCCN(Cc1cccnc1)Cc1ccc(-c2ccccc2Br)s1	505863218	ARCRCLJJUJTBDB-UHFFFAOYSA-N	412.356	5.488	30	20	HKED	
CCN(C(=O)c1sc(Cc2ccc(F)cc2)nc1C)[C@H](C)c1ccc(C#N)cc1	509577684	CZDDAPFCNBUAJZ-MRXNPFEDSA-N	407.514	5.276	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1OCC	511710203	KSPMYDLZJRIDNK-SFHVURJKSA-N	404.869	5.051	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2Cl)cc1	511748388	MZDZZRBYQRWMTA-MRXNPFEDSA-N	414.958	5.274	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1	513403057	PXTGWCPIRUOMBE-UHFFFAOYSA-N	411.505	5.380	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	514151612	MXDUNAPKTSAROG-SFHVURJKSA-N	405.473	5.472	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1	514355792	DGBIQFWEZIZXAM-GOSISDBHSA-N	418.566	5.111	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	515540172	MJXNVJPEIIJARQ-AWEZNQCLSA-N	409.923	5.872	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	517881770	DHOBWTKQXPUKEF-HNNXBMFYSA-N	410.411	5.226	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc2ccccc2c1	518758899	MAWMIKHYINUNGC-ZWKOTPCHSA-N	403.551	5.523	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC(F)F	519978487	KIZMQSHIPVCFPG-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	520923275	ILLJWDUCOCAMLJ-SFHVURJKSA-N	413.521	5.914	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OCC	521417698	FFERUUNZXSSQIZ-SFHVURJKSA-N	409.530	5.037	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)cc1	521470372	NOTULPHNYBQZHB-NRFANRHFSA-N	412.445	5.058	30	20	HKED	
COc1cccc([C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	521473741	QJHJHWFWXNKJIY-KSFYIVLOSA-N	404.897	5.746	30	20	HKED	
Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	522298545	XPOAZQOEHQYOSG-IBGZPJMESA-N	417.431	5.047	30	20	HKED	
COc1cc(OC)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1Cl	523123497	KXWHIAHTLROMSP-UHFFFAOYSA-N	407.857	5.225	30	20	HKED	
C[C@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	525748651	ULMPBWGHOBMERX-CQSZACIVSA-N	413.315	5.098	30	20	HKED	
CCCc1c(NC(=O)c2oc3ccc(OC)cc3c2C)cnn1-c1cccc(C#N)c1	527136436	RGSCXUWHMZKFGP-UHFFFAOYSA-N	414.465	5.012	30	20	HKED	
CSc1ccc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	530949992	CKCLNULCUXPIDL-UHFFFAOYSA-N	410.486	5.994	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c(C)c2c1	531440912	CTVFXRXKHIKLGF-XZOQPEGZSA-N	414.505	5.175	30	20	HKED	
C=CCN(C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)c1nc2c(s1)CCCC2	531497442	HMDNOYJFKPXZEL-KRWDZBQOSA-N	419.550	5.390	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1)OCC	535151339	FNYBOLMNPCXZIZ-NTKDMRAZSA-N	408.542	5.106	30	20	HKED	
C[C@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1	535602036	JGKQLHWWAKJKND-CCLHPLFOSA-N	410.517	5.052	30	20	HKED	
Cc1cc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(F)cc1F	535801678	XRMQZIVHUBNGIZ-UHFFFAOYSA-N	405.273	5.056	30	20	HKED	
CC(C)(C)c1nn(Cc2csc(Cc3ccc(Cl)cc3)n2)c(O)c1CCC#N	536151751	UKNZSKQQXHHLJL-UHFFFAOYSA-N	414.962	5.091	30	20	HKED	
C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCO1	537667575	YBVLPTLEOIKKQI-GUYCJALGSA-N	419.403	5.058	30	20	HKED	
CCc1nc2ccccc2n1C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	537859500	KJKZITHVBZIGKB-UHFFFAOYSA-N	415.541	5.269	30	20	HKED	
Cc1nc(NC(=O)c2csc(-c3cccc4ccccc34)n2)sc1SCC#N	540877102	VNJQSYYABMUMGZ-UHFFFAOYSA-N	422.560	5.596	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc3c(c2)COC3)cc1Cl	544432048	XGWMSMPHKSMTAF-JOCHJYFZSA-N	402.881	5.207	30	20	HKED	
Cc1cc(C2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CC2)n[nH]1	546862307	HGVDGUSXLSPZSY-UHFFFAOYSA-N	420.900	5.055	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccc2cccnc12	547364967	RDMDAXYTYNYXLM-UHFFFAOYSA-N	413.864	5.829	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(C(F)(F)F)n2)cc1	551514757	BGPXWIDGMSVILJ-UHFFFAOYSA-N	417.412	5.059	30	20	HKED	
N#Cc1cccc(C2(NC(=O)CCSc3ccnc4cc(Cl)ccc34)CC2)c1	552815466	QKNASVKTNPBONN-UHFFFAOYSA-N	407.926	5.048	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cccc1-c1ncco1	557358144	GBSNDMYVHMLGKT-UHFFFAOYSA-N	409.445	5.761	30	20	HKED	
Cc1ccc(SCc2nnc(N3CCC(CC#N)CC3)n2Cc2cccs2)cc1	559165030	ROEKVIPLYRZHJI-UHFFFAOYSA-N	423.611	5.119	30	20	HKED	
CCN(CC)C(=O)c1ccc(CNc2c(Br)cc(Cl)cc2C#N)cc1	561118876	KAJCUXOYDORPER-UHFFFAOYSA-N	420.738	5.068	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccco3)C3CCCC3)cc2)ccn1	570324228	XTTDZESJPFVLTP-UHFFFAOYSA-N	402.454	5.315	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3cc4ccccc4s3)cc2)ccn1	579169703	XKRQQMWULAAOFG-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
CC(=O)Nc1ccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1C(F)(F)F	580635124	VYJVXAKKGCQZRN-UHFFFAOYSA-N	414.387	5.182	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)s1	581458109	BQNSUGIDOAZIHR-NSHDSACASA-N	420.325	5.465	30	20	HKED	
C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@H]1CSC	589247520	XRBXIDNUNNHPOY-FQEVSTJZSA-N	420.582	5.042	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@](C)(C#N)C(C)C)c3cnn(C(C)C)c3n2)c(C)s1	590766531	ZDRJJKASTOKVCP-QFIPXVFZSA-N	409.559	5.026	30	20	HKED	
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12	603694667	RBSKNSDWSWCWEL-UHFFFAOYSA-N	412.493	5.053	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccnc3Oc3ccccc3)o2)cc1	609058161	WWYJAPNRSBKVDI-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(SCc3ccccc3)cc2)c1	609066595	FOXLFRLYOYQSGD-UHFFFAOYSA-N	410.445	5.704	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccn1)C1CC1	609078728	KSSYYCMWCMRURP-UHFFFAOYSA-N	412.493	5.037	30	20	HKED	
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609381731	RIEPVULHMUZHBF-LBPRGKRZSA-N	412.408	5.256	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(F)cc1Cl	609431978	CWSFGGGJGVATOI-CQSZACIVSA-N	409.848	5.582	30	20	HKED	
COc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC(F)F	609434682	ISZQYUKGQWAAEZ-ZDUSSCGKSA-N	421.469	5.013	30	20	HKED	
CCOc1ccc(-n2c(S[C@H](C#N)C3CCCCC3)nnc2-c2cccnc2)cc1	609648602	SSLOVYRROHJHOJ-OAQYLSRUSA-N	419.554	5.293	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1	609735401	JTOXRWBXOODWFK-QKKBWIMNSA-N	413.861	5.243	30	20	HKED	
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	610019394	NVSXFSANNDQYEF-PWHSHALESA-N	407.583	6.394	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ncc(-c2ccccc2)o1	610068767	UHZSBMFEIPBJDM-KRWDZBQOSA-N	409.445	5.497	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	610157271	SQOJJNFHAQNEEP-CABCVRRESA-N	406.429	5.333	30	20	HKED	
N#Cc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1	610432283	XVLKBPKXJYVZAL-UHFFFAOYSA-N	424.304	5.034	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)c1	610961978	WFMQODNHZHJTMB-UHFFFAOYSA-N	418.403	5.134	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	611142476	WACVWYZDHXCAOA-OXJNMPFZSA-N	403.309	5.071	30	20	HKED	
Cc1ccncc1[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	611301623	HIDZFJWMACFNLV-OXJNMPFZSA-N	404.901	5.582	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1	612655285	NZKHIIBGJRNVFH-OAHLLOKOSA-N	422.978	5.656	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccc1	613319854	NEMUNGTUKWOAKC-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
CCOc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	615542238	BADSQPMDJQMUSL-NXEZZACHSA-N	416.337	5.255	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1	615692612	AILWGTKNHDCHCB-SFHVURJKSA-N	414.521	5.328	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(C#N)c(Cl)c1	619765836	UBOKILRPYOGDEC-UHFFFAOYSA-N	400.265	5.012	30	20	HKED	
Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F	675533399	NHIYAULZGKBVGG-AOOOYVTPSA-N	408.264	5.218	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccco4)s3)n2)cc1	675921780	ZLSQSQKPHQJVML-HNNXBMFYSA-N	401.472	5.493	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(C(F)F)ccc2Cl)c1C(F)F	676194589	ARWFRDVEMLVYJG-UHFFFAOYSA-N	417.712	5.703	30	20	HKED	
C=CCN1CCC(NC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CC1	680580163	SNJWJNIBDVCWCB-UHFFFAOYSA-N	404.938	5.011	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccc(C)cc2)c1	726573784	PUDHRRJPYKIPQZ-UHFFFAOYSA-O	411.959	5.302	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc3c(c2)OCCCO3)cc1	727282293	YNZHYKRYHZESAF-UHFFFAOYSA-N	417.490	5.321	30	20	HKED	
O=C(/C=C/c1cccc(/C=C/C(=O)c2ccc(O)c(F)c2)c1)c1ccc(O)c(F)c1	728439173	WOQBZVFJKVIGDX-KBXRYBNXSA-N	406.384	5.168	30	20	HKED	
COCCOc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc1	730464502	SELTTYAOGSXFGF-XBXARRHUSA-N	401.256	5.117	30	20	HKED	
C#CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1	730981563	VRCWOHHAIAWDET-UHFFFAOYSA-N	412.420	5.412	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(OC2CCCC2)c1	731287658	HOQMPADHFRHJSA-LJQANCHMSA-N	417.292	5.276	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3c(F)cccc3-n3cccn3)cc2)cc1	731990101	FGGGTJYRHNAYAO-UHFFFAOYSA-N	412.424	5.122	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1	733259035	OWZVTOBBTPILJY-MRXNPFEDSA-N	420.296	5.335	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC	733333362	DZPLUAJBVDNYIL-CQSZACIVSA-N	408.285	5.005	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2cccc(C)c2)CC(C)C)ccc1OC	733656861	PWTPEHJBZAWKAN-JOCHJYFZSA-N	423.557	5.052	30	20	HKED	
C=CC[C@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccncc1	734455652	JWBORJPYRIHKNS-QFIPXVFZSA-N	419.550	5.152	30	20	HKED	
COc1cccc(-c2nc(/C=C/C(=O)c3c(Cl)nc4sccn34)cs2)c1	741842685	BBPYQFVVYIGLFR-AATRIKPKSA-N	401.900	5.077	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744035178	JAXKWQYFTFCSIZ-RISCZKNCSA-N	422.859	6.339	30	20	HKED	
COc1ccc2sc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c(C)c2c1	744036653	GHHDNEUTZBMVDO-KRWDZBQOSA-N	404.516	5.832	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)s1	745447805	KNEIGRIVRJHYJH-SFHVURJKSA-N	420.534	5.297	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CSCc2ccc(Br)cc2)n1	747193698	NHYNODIXXRSLCO-CQSZACIVSA-N	409.374	5.139	30	20	HKED	
N#CCn1cc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)cn1	747434079	ADBRXUWWHAJJBP-UHFFFAOYSA-N	422.897	5.351	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccc(C(F)(F)F)cc1	750292914	ZVZAWCSCAXSRPJ-LJQANCHMSA-N	403.404	5.437	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2)cc(Br)c1OC(F)F	750899519	ILUKZZANAARNOO-VMPITWQZSA-N	422.225	5.217	30	20	HKED	
COc1ccc(-c2nc(S[C@@H]3CCc4c(Cl)cccc43)nc(O)c2C#N)cc1	751769447	PDGXUWDIISDTPM-GOSISDBHSA-N	409.898	5.162	30	20	HKED	
C=C[C@@H](C)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1	757014538	ZHVVSNQYAWJULA-CQSZACIVSA-N	413.593	5.260	30	20	HKED	
N#C[C@@H](C(=O)/C=C\SCc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1	759832452	CINQSJUHSUNZGB-GQSKFBFOSA-N	400.912	5.680	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cnc([C@H]2CCCO2)s1	760343314	RCNDGFAVVSEWCK-QGZVFWFLSA-N	415.584	5.385	30	20	HKED	
Cc1ccc(Oc2ccccc2NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1	761817739	SKXJDUOCTHEISM-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
C=CCC[C@H](C(=O)OC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1	764144310	AWAMEWBBWZUDNB-QFIPXVFZSA-N	411.929	5.238	30	20	HKED	
N#Cc1cc(NC(=O)c2cnc(-c3ccccc3Cl)s2)c(Cl)c([N+](=O)[O-])c1	764302582	VWROJJSDGDSDSI-UHFFFAOYSA-N	419.249	5.149	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(C3SCCS3)c2)c2ccccc21	767463475	MTVXEPRFVODCMZ-UHFFFAOYSA-N	407.564	5.676	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1	772982295	BWQJGEVVXYFKMV-SIKLNZKXSA-N	402.542	5.329	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)CCCc2ccc3ccccc3c2)ccc1OC	775738450	DZHKHCAGMSCPNB-HSZRJFAPSA-N	416.521	5.168	30	20	HKED	
COc1ccc(C[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2)cc1OC	776155336	DZEBPKSXSOMQOL-YADARESESA-N	416.521	5.241	30	20	HKED	
CC[C@@H](C)n1c(SCC(=O)O[C@@H](C#N)C2CCCCC2)nnc1-c1ccccc1	776383157	MPAQANUMMYJUGE-APWZRJJASA-N	412.559	5.024	30	20	HKED	
C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1	778534724	HXTKILHBTRLHEQ-VIFPVBQESA-N	422.655	5.486	30	20	HKED	
C[C@H](N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(OCC#N)cc1	779093938	SQTDYESQUUZPLQ-KSFYIVLOSA-N	407.514	5.274	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1OC	779100069	GKNKZOICFNICMJ-BVAGGSTKSA-N	400.522	5.564	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	780175312	FAPXZYXTSKSKKB-NSHDSACASA-N	418.305	5.660	30	20	HKED	
Sc1nnc(CSc2ccccc2)n1N=Cc1ccc(Oc2ccccc2)o1	782246201	VOYWBCODWOVWEB-UHFFFAOYSA-N	408.508	5.127	30	20	HKED	
C#Cc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)c1	783000776	IJEDOILONLOGTM-QGZVFWFLSA-N	400.503	5.098	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cccc(Cl)c4o3)n2)cc1	783073357	ZKSATDSTHXGWLE-HNNXBMFYSA-N	403.850	5.571	30	20	HKED	
C=CCn1c(SCc2oc(C)nc2C)nc2scc(-c3cccs3)c2c1=O	788099241	YMDJKEALWWNYSJ-UHFFFAOYSA-N	415.565	5.270	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=S)Nc1ccc(F)cc1	789386296	IUBDKMHHAYJFMR-UHFFFAOYSA-N	410.358	5.692	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1cnc2ccccc2n1	792109015	NHQZWJLCHHTQLF-OSPHWJPCSA-N	413.477	5.479	30	20	HKED	
N#CC[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	796648660	DQRNTRDOKLEPIM-HOCLYGCPSA-N	413.424	5.579	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3ccc4c(c3)OCO4)n2)cc1	796764770	QHDDCSUDOJPCCZ-KRWDZBQOSA-N	404.491	5.001	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1nc(-c2c(F)cccc2F)cs1	796907243	ZSWNOFLMFAAFCY-GMTAPVOTSA-N	400.372	5.243	30	20	HKED	
N#C[C@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	802046048	YSUXUSPJOSPBEC-IUODEOHRSA-N	411.305	5.337	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)c1	802721246	RGNIBWLDAHCDBS-RMXUSPLISA-N	424.013	5.222	30	20	HKED	
C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(F)(F)F)nc1	803058081	PRKIXMUCVRIAGG-ZDUSSCGKSA-N	416.355	5.062	30	20	HKED	
Cc1cc(Br)cc(NC(=O)CCCCCC#N)c1NC(=O)OC(C)(C)C	808729010	UFMJOJGFNVBTQX-UHFFFAOYSA-N	424.339	5.517	30	20	HKED	
COc1cc(Cl)ccc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	808746223	LFZKPCAIDJFJSF-UHFFFAOYSA-N	418.324	5.119	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)OCc2ccc(OCC#N)cc2)cs1	811307106	JQEWZGCDFMYWSA-UHFFFAOYSA-N	424.497	5.181	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cc(C#N)ccc3Br)cc2)c1	864010995	QEGAAAHATZABRU-UHFFFAOYSA-N	418.294	5.384	30	20	HKED	
N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2ccccc2s1	916627138	ZMNDILMECIMIQF-SJTCNUARSA-N	415.356	5.206	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	916907007	GMDHTHYDMQFUTA-HKBOAZHASA-N	414.436	5.069	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917042822	FBBBONDFMYMUFH-FZMZJTMJSA-N	405.306	5.555	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1	920102814	ZPELVIHVDJHJQD-INIZCTEOSA-N	419.893	5.459	30	20	HKED	
N#C[C@H](COC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)Cc1ccc(F)cc1	920876901	RPKJKOSNCRSVCD-RLLQIKCJSA-N	420.509	5.411	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1	1789327543	JXKGKSBPELJARS-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)C[C@H](C)c3ccccc3)cc2)CCC1	1791336616	VSNBXHFIQKGLSK-IBGZPJMESA-N	422.594	5.234	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3sccc3s1)C2	1792573269	HAGIVKWYLYTVMS-MUJYYYPQSA-N	416.612	5.207	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cc3ccccc3o1)C2	1798592955	XGPFYDIUPKVDCO-ZYPGILSSSA-N	420.553	5.077	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825789787	SGSACDFBUQWTCD-NHCUHLMSSA-N	414.615	5.058	30	20	HKED	
C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@@H]2c2ccccc2)c1=S	22098230	KIBMFVAVVACKDK-HXUWFJFHSA-N	424.545	5.113	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1	29117090	RKNBPXRQEMBTGL-NRFANRHFSA-N	418.493	5.062	30	20	HKED	
CCOc1ccccc1CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	32289012	LKCCWXGSQPYLCT-UHFFFAOYSA-N	400.478	5.107	30	20	HKED	
COc1ccc(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1OCCCC#N	64614606	MFXIUPNQVCCMGO-HXUWFJFHSA-N	416.468	5.146	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c(C)nn(C(F)F)c1C	65559336	GFMCFKYNTXCQGD-UHFFFAOYSA-N	410.424	5.049	30	20	HKED	
C=CCN(C(=O)c1cc(Cl)c(OCCC)c(OC)c1)c1nc2c(s1)CCCC2	104650073	IVBQLKXKFZJGFZ-UHFFFAOYSA-N	420.962	5.306	30	20	HKED	
N#Cc1ccc(NCc2ccc(N3CCc4ccccc4C3)nc2)cc1C(F)(F)F	111218624	LPPILMHNGVXPEJ-UHFFFAOYSA-N	408.427	5.147	30	20	HKED	
COc1ccc(Cc2nc(-c3cn(CCC#N)c4ccccc34)cs2)cc1OC	248256107	SKBUEOKXRDCWKT-UHFFFAOYSA-N	403.507	5.286	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(CN3CCCCCC3)cc2)cc1	303034755	YDVJFZBCZMCRDP-UHFFFAOYSA-N	404.558	5.185	30	20	HKED	
CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	303640951	HYNSBRAECPOFOU-UHFFFAOYSA-N	420.852	5.005	30	20	HKED	
Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1C	303917727	NZVARYPBSZZOCM-VGSWGCGISA-N	407.583	5.331	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1	303939939	YNCFJIPCWGIEOQ-UHFFFAOYSA-N	417.440	5.309	30	20	HKED	
COc1cccc(C2(F)CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)c1	410227471	OBGUTIOTMPDGIK-UHFFFAOYSA-N	419.500	5.055	30	20	HKED	
CC(C)Cn1ncc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1-c1ccccc1	428811288	VBCCQTSYYBUESX-UHFFFAOYSA-N	410.521	5.007	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1ccccc1	432687524	RICVJAHUNNQSJM-MRXNPFEDSA-N	409.383	5.323	30	20	HKED	
O=C(Nc1cccc(CCC(F)(F)F)c1)N[C@H](c1cc(F)ccc1F)C(F)F	433576246	QZQKIFWAWCVUDZ-OAHLLOKOSA-N	408.317	5.588	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(OCC4CCCC4)CC3)c2)cc1	434378073	CKFQZQAYBATBFV-UHFFFAOYSA-N	403.526	5.113	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	435771156	KITBBLSIYAJNRB-AWEZNQCLSA-N	423.259	5.390	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)cc2OC(F)F)c2ccc(F)cc2)cc1	437156494	PNDSLKFLJYKEGG-JOCHJYFZSA-N	412.411	5.187	30	20	HKED	
N#Cc1csc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1	437337010	KACPOYLUIMYORT-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c(Cl)c1	437577919	IVDGDGVDQSEMQL-RDJZCZTQSA-N	405.832	5.245	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(OCc2cscn2)c1	438207495	BRFFLHKQNMJHRQ-FGZHOGPDSA-N	418.522	5.026	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCO[C@@H](c2ccco2)C1)c1ccc(C(F)(F)F)cc1	441535952	RLIJBZKJJDCHEC-PKOBYXMFSA-N	408.420	5.089	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	442684060	WRDUNPZUXYAQOB-GFCCVEGCSA-N	421.245	5.066	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	442693778	PXNGHOUSBIHVGJ-SMDDNHRTSA-N	417.943	5.508	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1Br)CCC2	446416392	RDODYUXENMWCKL-UHFFFAOYSA-N	412.331	5.252	30	20	HKED	
N#C[C@H]1N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCC[C@]12CCCCO2	447910398	FMHOBXAMXUJNPT-UYAOXDASSA-N	421.488	5.256	30	20	HKED	
C=CCCN(C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	466426345	QGNKNPOTPJXYLX-UHFFFAOYSA-N	406.408	5.389	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	468157061	BCYOUROFRJNQDM-IBGZPJMESA-N	420.513	5.040	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1	469415137	ALBMYPKLYCRHCQ-QGZVFWFLSA-N	409.505	5.169	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1nnc(-c2ccccc2Cl)o1	471616349	AWNQMFXNVFSQHE-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	471903580	UMNGUWFRFASSNF-UHFFFAOYSA-N	408.521	5.127	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	473363728	XEXOFYZHRWAHRR-UHFFFAOYSA-N	424.903	5.347	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1	475183310	NZIMGVUKMZOSCX-GOSISDBHSA-N	414.509	5.249	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccccc1Br	475571630	WBHJSIIYFBDSAJ-UHFFFAOYSA-N	401.348	5.965	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1C(CC)CC	482592027	MIQPWYHAHDBLKK-SFHVURJKSA-N	422.554	5.429	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cnc2ccccc2n1	483218850	QIUXEJCXAFVWPS-HXUWFJFHSA-N	400.441	5.335	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C	484478965	WAWBJIVPNCRZLG-UHFFFAOYSA-N	417.557	5.532	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](CC)C(=O)c3ccc(OC)cc3)o2)cc1	489784907	YMRHSYSPQGEYJI-IBGZPJMESA-N	410.495	5.064	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C	499891440	VXRPUBGACPQPFY-VAMGGRTRSA-N	422.598	5.208	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1	504795585	UYZOKKCKUJBADT-HXUWFJFHSA-N	421.566	5.754	30	20	HKED	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	505347465	AABWDKTXHNLKPW-CYBMUJFWSA-N	423.369	5.106	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4c(C)ccnc4[nH]3)c3ccccc3n2)cc1	506001350	GWSFDYXVCPKBFW-FQEVSTJZSA-N	417.472	5.280	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1c(F)cc(F)cc1-c1ccccc1	510121337	WBXYYLPKPQOGMS-UHFFFAOYSA-N	409.461	5.298	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	510271238	OSKOZZFYWPOTFF-UHFFFAOYSA-N	424.460	5.235	30	20	HKED	
Cc1cccc([C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C(F)(F)F)c1	511823447	GWZUJLMGCOVRKD-HXUWFJFHSA-N	411.383	5.087	30	20	HKED	
CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc(C)cs1	517909256	CXPCERBBOASGDT-NRFANRHFSA-N	422.529	5.325	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(CC)o2)nc2cc(-c3ccccc3)sc2c1=O	518382250	SCWQPTARULANKC-CYBMUJFWSA-N	424.551	5.110	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1	518522997	TTYMVQNZWAZAMH-PXNSSMCTSA-N	404.963	5.267	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1	518743004	IETWUIUTNKONAX-CHWSQXEVSA-N	409.338	5.794	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(-c2ccccc2Cl)noc1C	519876440	HFEMMBMVBSZURG-UHFFFAOYSA-N	411.845	5.040	30	20	HKED	
CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	520942895	SVXAWXOGNGDXRL-FXAWDEMLSA-N	409.555	5.019	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCSc1ccc(Cl)cc1	521262680	OWMDRDIAQRTEBE-AWEZNQCLSA-N	405.976	5.506	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	521356825	WPCWZGGFXYPYOO-WAIKUNEKSA-N	411.461	5.197	30	20	HKED	
COc1cccc(C[C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	524154385	HLOPFJWWYWNRTB-JOCHJYFZSA-N	412.489	5.206	30	20	HKED	
CCNC(=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	534142664	PEYPCSIKVDBRKK-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1	535989001	NNGSULBPOGMNAJ-UHFFFAOYSA-N	424.953	5.507	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCc3cc(Cl)sc3Cl)cc2)nc1	537802047	MNRGBPOTQMNXCN-UHFFFAOYSA-N	404.278	5.044	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1cccnc1	538728306	LCGPOKKYHVXKSD-FTJBHMTQSA-N	419.532	5.206	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1	540524799	BHWOJGUSWHKAEA-GOSISDBHSA-N	402.604	5.044	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c(C)c2c1	541491611	RBRLLTHSJBVCAA-INIZCTEOSA-N	403.482	5.057	30	20	HKED	
N#C[C@H](C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1)c1ccncn1	544815843	BLANGGGVWOWDSR-SFHVURJKSA-N	414.317	5.566	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2c2nccs2)cc1Cl	546592793	LZSUNMBAYPMHIH-ICSRJNTNSA-N	422.941	5.059	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl	547419426	WTDLKEWUKWIJLD-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nc(C)cs2)c1	555248769	VVYBETSYCQBAKD-UHFFFAOYSA-N	408.483	5.247	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc([C@H](C)OC)c1	559293673	MLVHHUCSBZPGJE-AWEZNQCLSA-N	421.310	5.516	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC#N)c3ccc(F)cc3)cc12	560357563	VGNBTVVQZZZNEW-UHFFFAOYSA-N	404.470	5.095	30	20	HKED	
COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	562169907	WWABSQMIVCKJOO-WAOWUJCRSA-N	423.582	5.952	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	563287604	XOYOKJMZDWKMFL-GOSISDBHSA-N	412.493	5.578	30	20	HKED	
COCC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	569479743	HEXRVCVJEIRDTJ-OXJNMPFZSA-N	405.325	5.275	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)CCC(=O)Nc2ccccc2C#N)cc1	579048236	NUPPSOMNENKJBL-LJQANCHMSA-N	413.521	5.255	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)N(Cc2ccccc2)c2ccccc2C#N)c1	583281314	RUTYTUBVQJENHR-UHFFFAOYSA-N	412.489	5.153	30	20	HKED	
C=C(C)COc1cccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1	589382373	BATHJKSRSQWQHB-UHFFFAOYSA-N	411.889	5.306	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c1	589740502	WOZDJEHMXBOPNP-UHFFFAOYSA-N	403.526	5.843	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1	594277416	XLPJGNRRBRCIFI-UHFFFAOYSA-N	419.447	5.065	30	20	HKED	
COc1ccc(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	603759209	XVRRSBVCXKAKSZ-OAQYLSRUSA-N	422.937	5.735	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3nc(-c4cccc(Cl)c4)no3)c2)c1	604006950	DXXCKAFURJZYSX-UHFFFAOYSA-N	416.868	5.453	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc(C)c2ccccc2n1	608841319	NQSRPIFKWDNRHA-UHFFFAOYSA-N	423.476	5.232	30	20	HKED	
CCn1nc(C)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	608994811	VFDSOSFVZXVOIR-HXUWFJFHSA-N	421.932	5.150	30	20	HKED	
COc1ccc(CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)cc1	609208861	NUSFKDVXIILYQV-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
Cc1cccn2c(NC(=O)c3cc4ccccc4n3CC#N)c(-c3ccccc3)nc12	609215822	OUUQWOOCMWBPMI-UHFFFAOYSA-N	405.461	5.040	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)c(C)c1	609376806	JYJCPKBMDSUHSF-HNNXBMFYSA-N	407.564	5.931	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nccs1	609437120	QFXLBLLOSFANEG-BEFAXECRSA-N	408.552	5.448	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1	609497341	HPKBQJGYGSALAT-CQSZACIVSA-N	411.383	5.255	30	20	HKED	
Cc1nc([C@@H]2CCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1	609975968	ZAVHSKQWALUGDL-IBGZPJMESA-N	422.872	5.063	30	20	HKED	
C[C@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1cccc(C#N)c1	610404548	VRKHIECCIMVHTF-HNNXBMFYSA-N	401.432	5.059	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	610632021	NAHUYUJDHLVELI-QZTJIDSGSA-N	423.385	5.644	30	20	HKED	
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)c(Cl)c1Cl	610809997	YOVFQGVIXSONSJ-LBPRGKRZSA-N	409.748	5.233	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)cc2F)c2ccccc2Cl)cc1OC	610946924	BCRLGKCSKZDERS-QHCPKHFHSA-N	410.876	5.247	30	20	HKED	
Cc1cc(Br)oc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613319830	PXSXOOLPTVEFJW-GFCCVEGCSA-N	421.703	5.618	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CC1	618850224	WGSGWSRWVSSCSJ-SPLOXXLWSA-N	413.443	5.500	30	20	HKED	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c1	619519582	FJFXPYCZFSLUEY-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCC1	642157354	GZONFMXIKRMLPS-STQMWFEESA-N	411.361	5.273	30	20	HKED	
O=C(Nc1ccc(Cl)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642693632	LJQDCIYXTAXLHV-MBTKJCJQSA-N	406.729	5.510	30	20	HKED	
C=CCC[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	676423475	WMENUNFGKPZCPV-OWCLPIDISA-N	408.386	5.466	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1ccc2ccccc2n1	676591636	WZYKEYMDWVGSIN-HXUWFJFHSA-N	407.404	5.672	30	20	HKED	
C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1F	678022375	LDXDTGZTUSPPPE-IVZWLZJFSA-N	418.328	5.235	30	20	HKED	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1	725855294	QCSAHQBXDOCPPS-UHFFFAOYSA-N	419.529	5.008	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F	726858531	OHNZBHFQBSGLFB-YLJYHZDGSA-N	416.452	5.459	30	20	HKED	
C[C@@H](OC(=O)c1oc2ccccc2c1CSc1ncccn1)c1cccc(C#N)c1	727635248	GCYJGBMRXBUAEM-OAHLLOKOSA-N	415.474	5.305	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@@H](c1ccccc1)C(C)C	728766718	HPLGXNFCVBISHP-MSOLQXFVSA-N	412.917	5.134	30	20	HKED	
O=C(/C=C/c1c(Cl)nc2sccn12)c1c[nH]c2cc(Br)ccc12	729937134	MBWYWIDNRVIOOD-ONEGZZNKSA-N	406.692	5.189	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1	730398596	KZFFHCZUHOZUQC-MBSDFSHPSA-N	416.864	5.786	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730416211	BUOAEIAGUIVKDM-GCJKJVERSA-N	402.450	5.432	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1	730936500	HEUFRQBHKZJPIP-IBGZPJMESA-N	424.545	5.099	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(N2CCCCC2)cc1	731114342	ODQLEKXEMAAHFF-IBGZPJMESA-N	422.598	5.293	30	20	HKED	
Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	732402789	VPIRLRFNNCHKEI-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	732935174	YOKNSYCPLBPDMF-QFIPXVFZSA-N	404.897	5.792	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(SC3CCCC3)cc2)cs1)C1CC1	734307106	VHQNYAZYSNETCK-MDWZMJQESA-N	412.580	5.589	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	739159194	HVUKCVUNBNNNKH-IERDGZPVSA-N	404.535	5.751	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H](OCC)C12CCCCC2	741508339	CQOXLDSRJPGJCH-UXHICEINSA-N	420.022	5.748	30	20	HKED	
C#Cc1ccc(C(=O)Nc2c(C)cccc2-c2nc3ccc(F)cc3n2C(C)C)cn1	741969941	ROIAPMLLZZHSQC-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	742537125	GZLTWZCPGJJWKJ-FGZHOGPDSA-N	419.525	5.070	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCO1	743093817	YFSGICRDZOMPKE-JWQCQUIFSA-N	411.505	5.256	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@]12CCc1ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	744034656	JQRBLXMABGKDJL-BOCKYXSRSA-N	404.922	5.544	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Cl)c(Cl)c1	747106414	SCUXGYIQTNJDGQ-JQWIXIFHSA-N	408.235	5.718	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)c3ccc(F)cc3F)n2)cc1	752483296	LUMUEHJSGHGNLB-SCLBCKFNSA-N	412.461	5.467	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(Br)n1	755646168	YRQGCMAKAZNFDL-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1	756239696	CNUIAFDMJXLEFL-CQSZACIVSA-N	419.384	5.032	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2coc(-c3c(F)cccc3F)n2)c2ccccc21	769545483	WGTBWCPSSNGFKR-UHFFFAOYSA-N	421.403	5.235	30	20	HKED	
COc1ccc(CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1OCCCC#N	770289121	BVYQUGRKARLZNZ-RPWUZVMVSA-N	422.569	5.246	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(F)c(Br)c2)ccc1OC	772985680	MBVPUMVBDDSBMY-CZUORRHYSA-N	421.310	5.129	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	776798508	CWMHLDUNWONPHJ-UHFFFAOYSA-N	406.576	5.841	30	20	HKED	
CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)cc1Cl	777116815	IHQLHGARKHYPBK-HXUWFJFHSA-N	404.341	5.389	30	20	HKED	
O=C(NOCCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1SCC(F)F	779433939	BTCZGAMQLBWDSO-UHFFFAOYSA-N	412.302	5.068	30	20	HKED	
Cc1ccc(S[C@@H](C(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2)c(C)c1	780175253	DJYIMQKNADUFRZ-NTKDMRAZSA-N	416.546	6.066	30	20	HKED	
Fc1ccc(CON=Cc2csc(COc3ccccc3)n2)c(Br)c1	780288035	SFZRKTFRLZDVLC-UHFFFAOYSA-N	421.291	5.174	30	20	HKED	
O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl	790972275	ASTBQEXMBUJSDG-NSHDSACASA-N	418.671	5.065	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1cnc2ccccc2n1	792108908	DIYHYJGRRVFKGN-DGCLKSJQSA-N	402.306	5.294	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1	796287007	IJBITFYZIIOIFD-LJQANCHMSA-N	410.823	5.382	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(c3nc(Cl)c(C#N)s3)C2)n1	804673057	XZRJXMLPELVPGZ-GFCCVEGCSA-N	416.959	5.184	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	806200265	BTMIFIBOSKCNCJ-DNQXCXABSA-N	413.521	5.966	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](c1ccccc1)N(C)C	806201302	WKHBWIIGARRDGK-PNTFMKQHSA-N	412.537	5.155	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)sc2ccc(Br)cc12	815915382	MVASSMLRBJZLLM-CYBMUJFWSA-N	411.280	5.604	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)COc1ccccc1-c1ccccc1	873755058	ZXAQAOJIFYBYSR-UHFFFAOYSA-N	418.518	5.004	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[C@H]3OC(=O)c4ccccc43)c2C#N)C1	875452437	ZAUIGOUTWMUZCT-FZKQIMNGSA-N	408.523	5.011	30	20	HKED	
Fc1ccc(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1Cl	914707432	WBTIWNMYYLUBQW-YUMQZZPRSA-N	422.797	5.675	30	20	HKED	
CCCCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916906039	AVPKGJREQRWJOJ-JOCHJYFZSA-N	412.489	5.783	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cccc(C)c3)c2)cc1	916913980	SZXWUWMZDWJRFU-DEOSSOPVSA-N	412.489	5.098	30	20	HKED	
CCCOc1c(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cccc1OCC	917644075	AADYTHAPMQEJNW-UYRXBGFRSA-N	424.547	5.152	30	20	HKED	
CCCN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)[C@H](C)c1cc2ccccc2o1	919723646	GKVIOWDCBTVQRO-YLJYHZDGSA-N	424.504	5.443	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccccc3n2C(F)F)cc1	927593135	XEAKUSJCOWIBMO-HNNXBMFYSA-N	414.481	5.167	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ccccn3)cc2)CCC1	1786959192	FRRBSNNSTASHKX-UHFFFAOYSA-N	419.569	5.141	30	20	HKED	
N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C4=CCCC4)cc3)CCC2)c1Cl	1787622069	SULAALRRYVOJOK-UHFFFAOYSA-N	419.912	5.070	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5s4)cc3)CCC2)C1	1788968457	ZBINZERXUIZNEM-UHFFFAOYSA-N	417.534	5.010	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)n(C)c3C)CCC2)cc1	1789456070	JUAUPZKVJYQHLC-QFIPXVFZSA-N	419.569	5.158	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)C1	1805456838	KXNLGJRBTATXPZ-UHFFFAOYSA-N	420.553	5.046	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC)cc2)[nH]n1	1819307768	NFYJPWMQUMOOIW-IRLDBZIGSA-N	420.557	5.046	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2)CC1	1823753850	KJRAGSBJUAGVNN-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CC=C)C(=C)C)CC1	1824141923	ANIDPEPTMYSMEJ-BJKOFHAPSA-N	412.618	5.143	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1	1831373844	IDRINXDTTDGZIY-NQIIRXRSSA-N	416.993	5.094	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@H](Sc1nc(C)cc(C)c1C#N)c1ccccc1	5641953	JYXLJZFKZDCNGZ-JOCHJYFZSA-N	417.534	5.359	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1cccnc1	8471863	KEOFEDHNLBUHKR-IRXDYDNUSA-N	421.570	5.159	30	20	HKED	
C[C@H](OC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccccc1C#N	11373393	ZBJPAMYNHWGZME-FQNOHDAGSA-N	420.465	5.009	30	20	HKED	
Cc1c(C#N)c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2c1CCC2	22121138	NECWUVMMWRCNET-NSHDSACASA-N	406.338	5.177	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(F)cc2F)cc1	22727110	STOJZBRLPJJBPQ-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccccc3)n2)nnc1-c1ccccc1OC	24293646	YOMGIJKJNZTLJE-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2c(C)c(C)sc2n1	25440023	QAPPFKZEVUEYJT-UHFFFAOYSA-N	410.568	5.149	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CCCC[C@@H]1C(F)(F)F	46533267	WEKLELIINVLNOA-KBPBESRZSA-N	415.349	5.411	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1	62904794	YVHVXXKQSAWERU-UHFFFAOYSA-N	412.917	5.083	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC	97545452	KDBDWRUSOKESEQ-AWEZNQCLSA-N	419.472	6.012	30	20	HKED	
Cc1cc(C)c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c2c1	108694031	CMMFOSYXEOERLF-UHFFFAOYSA-N	409.489	5.682	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	147497407	SABIOJTXMNESKH-KRWDZBQOSA-N	402.928	5.166	30	20	HKED	
C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	301217577	DKZTUJBRSJGDNP-IBGZPJMESA-N	400.547	5.602	30	20	HKED	
C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1OCCc2sccc21	429122084	JHYDSLRFAQUSEM-YADARESESA-N	402.563	5.240	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1sc(C2CC2)nc1-c1ccccc1	429265110	RLYNPJLBYMAGFV-HNNXBMFYSA-N	419.575	6.192	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Cl)cc2F)cc1	429369641	YLLBHTFWAIBYJD-UHFFFAOYSA-N	423.875	5.446	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc(C)c1OCc1cccnc1	430619595	GTHGRMZWVIMLLL-IBGZPJMESA-N	419.550	5.522	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1NC(=O)c1cccs1	430627391	NBSPZMMRDCPGRJ-HNNXBMFYSA-N	423.563	5.553	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nc1	431358760	UXDCGYDDCBHLNK-UHFFFAOYSA-N	415.493	5.156	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1	439308490	WEINRQDMTLFKQB-GOSISDBHSA-N	423.410	5.270	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccc(C(F)(F)F)cc1	441541721	KQJFNSQOTNLWSY-VKGTZQKMSA-N	409.473	5.021	30	20	HKED	
C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(C(F)(F)F)cc1	443639625	GUYDCWFSVAHKOD-OAHLLOKOSA-N	401.432	5.055	30	20	HKED	
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Br)s1	443812414	CRPVNWPJAZXSDU-JTQLQIEISA-N	409.374	5.455	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1	444100947	NYXNBMDVWUIKSZ-UHFFFAOYSA-N	424.479	5.230	30	20	HKED	
CCCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](c1ccc(F)cc1)c1cccnc1	446033038	IJTHVQVPZHJCLE-QFIPXVFZSA-N	409.411	5.012	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC(=O)c1cc(Cl)sc1Cl	446236350	VNERUYICEJTTAQ-CVEARBPZSA-N	421.349	5.316	30	20	HKED	
CC(C)[C@H](NC(=O)CS[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2	447053250	AELOPMZWPRLMBS-OSPHWJPCSA-N	424.566	5.027	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)s1	464974048	SPFZCCFCZRFVQI-INIZCTEOSA-N	405.523	5.566	30	20	HKED	
Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)c2ccc(C3(C#N)CC3)cc2)c1	466612343	YNOFGOUEXGRRMA-UHFFFAOYSA-N	401.897	5.446	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl	469086329	USXLIKPUGZGVCQ-UHFFFAOYSA-N	412.921	5.270	30	20	HKED	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccc(C(C)(C)C#N)cc1	470606752	OGWXHIBRFKIQGL-AWEZNQCLSA-N	401.894	5.199	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@H]2CCOC2)cc1	470805491	XIRNSUGCNFZMJE-FQEVSTJZSA-N	415.449	5.162	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)sc21	471088057	DDFOQFCWEVNQFI-UHFFFAOYSA-N	422.460	5.041	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(F)cc(NCC(F)(F)F)c1	473237593	OINACEOCYICGID-UHFFFAOYSA-N	413.374	5.591	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CC(=O)c4ccccc43)cc2Cl)c1	475496664	YVJHOLDWZZGCQI-HXUWFJFHSA-N	416.864	5.099	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	477442121	HEPUKOMJFCBUKQ-PXNSSMCTSA-N	423.488	5.309	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479165273	NHZSUOJPCKOZKX-YMTQGWHGSA-N	411.933	5.304	30	20	HKED	
N#Cc1cc(NC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)ccc1F	483924511	GXOPDQLCEZXWGR-KRWDZBQOSA-N	409.408	5.038	30	20	HKED	
CC(C)NC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	484972351	WFFGECXCQXOFNB-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1nn(-c2ccc(F)cc2)c2c1CCC2	486052860	POUQCLXVKUFLOC-MRXNPFEDSA-N	406.530	5.506	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1c[nH]c2cccc(Br)c12	488148212	SKPSUGLKGWCLTN-GFCCVEGCSA-N	414.328	5.577	30	20	HKED	
N#C[C@@H]1CN(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)C[C@H]1c1ccccc1	488596920	OKILJBSJCKEAAU-ZODMCCGTSA-N	423.516	5.126	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2csc(-c3cc(Br)cs3)n2)s1	490744592	IRJVSMIWTXGKKZ-UHFFFAOYSA-N	424.370	5.382	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)N(Cc3ccco3)c3ccccc3C#N)ccc2c1	501021218	UZKNPRJPCUQQAZ-SFHVURJKSA-N	410.473	5.650	30	20	HKED	
C[C@H](Cc1cccs1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	502989191	GSWUDYWMKVIOBW-QGZVFWFLSA-N	405.523	5.146	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccnc1	503712554	ICQQLTZUKPCBQL-QGZVFWFLSA-N	421.570	5.077	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3nccc4ccccc34)c2)cc1	505384654	PCYNEARIHOQVBO-UHFFFAOYSA-N	422.488	5.202	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	505964276	ALGHADVQRSSWMS-IKGGRYGDSA-N	412.333	5.209	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2c(F)cccc2F)cc1	508265638	CJNQNKMYODWMTL-AWEZNQCLSA-N	423.419	5.520	30	20	HKED	
COC1(c2noc([C@@H](C)Oc3ccc(C#N)cc3)n2)CCC(c2ccccc2)CC1	508647707	ZJNDMZKPAZJSAD-RAMCEHFNSA-N	403.482	5.281	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1	510856341	DRRYYQCGWRUAEO-GOSISDBHSA-N	414.303	5.088	30	20	HKED	
Cc1noc(Cl)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	511616167	ZBYCJLZXCSHAMT-UHFFFAOYSA-N	402.237	5.135	30	20	HKED	
O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	512380461	BTKZXTIKKADHDE-VYDXJSESSA-N	411.361	5.471	30	20	HKED	
COc1ccc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1OCCCC#N	512604070	DBNYBQZJIZYJFY-IBGZPJMESA-N	421.541	5.004	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3sc4c(c3C#N)CCC4)c12	512844723	JAMDJGFVIXHHCQ-UHFFFAOYSA-N	418.478	5.109	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)nc2ccccc21	513667696	VRIUOYKZTBXFNH-IBGZPJMESA-N	422.463	5.205	30	20	HKED	
COc1cccc(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	513729139	WJAUGIGJLMUEMJ-UHFFFAOYSA-N	420.490	5.099	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCC(C)(C)c2cccc(Br)c2)cc1	513982762	IAEUEDXWDKZTKO-UHFFFAOYSA-N	414.347	5.350	30	20	HKED	
O=C(N[C@H]1CCC[C@H]1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	514884261	ITIUOVLJVRBOGG-QVABUYEASA-N	415.393	5.116	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5o4)cc3)o2)cc1	516264840	UWILHGUJCOLLMM-IBGZPJMESA-N	420.428	5.343	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1	517665606	HWPMULVQBQMIBZ-UHFFFAOYSA-N	410.517	5.197	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1	518177338	KZCFPJBVQDXSRL-UHFFFAOYSA-N	402.450	5.108	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1OC(F)(F)F	518259074	CUMYTBRPWFFOEE-AWEZNQCLSA-N	423.460	5.643	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	518376254	UTNWYOGXSKXKDU-QGZVFWFLSA-N	401.466	5.024	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519053762	RWABCNGIYBTENB-UHFFFAOYSA-N	414.490	5.624	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1Cl	520483842	PNHAYDNOSKLIQD-UHFFFAOYSA-N	406.711	5.417	30	20	HKED	
C=CCN(C(=O)[C@H](C)CSC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	520924505	ZPNLTYPUTOCJBW-LLVKDONJSA-N	401.384	5.635	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1ccccc1CN(C)C1CCCCC1	523587789	GRAWUSXBHJTGEF-UHFFFAOYSA-N	407.558	5.338	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)c1C	525585655	HGKLQRCQFJIUDP-QFIPXVFZSA-N	400.478	5.324	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1	532931949	CIKPCBONDWVYEB-JOCHJYFZSA-N	409.530	5.764	30	20	HKED	
C=CCN(C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CC1	536816438	MRMZHRKSGNGSSU-UHFFFAOYSA-N	418.419	5.532	30	20	HKED	
C[C@H](N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2	537114493	UBKUHRTUQUPNTK-QWRGUYRKSA-N	408.354	5.093	30	20	HKED	
COc1cc2c(cc1F)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CC2	537517624	QMEXSOGQDXSFAM-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	537900622	WGGJYXPHVXIXNK-AWEZNQCLSA-N	418.444	5.474	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)ccc1Cl	538685782	USXHYQAZLGJSTE-UHFFFAOYSA-N	416.308	5.180	30	20	HKED	
COc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(OC)cc1Cl	539787943	BMIQZSGSRUNTHI-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)ccc1Cl	541622295	OGEYIGIJTHYRKG-UHFFFAOYSA-N	407.260	5.661	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1Cc1ccncc1	545149549	DUOXTYJEEXZSQG-QGZVFWFLSA-N	404.539	5.195	30	20	HKED	
N#CCCn1cc(CNc2ccc(Cl)cc2OC(F)F)c(-c2ccccc2)n1	547284323	UNAPOEPAJMBNAA-UHFFFAOYSA-N	402.832	5.331	30	20	HKED	
CCOc1cc(Br)c(NC(=O)c2ccc(C#N)c(Cl)c2)cc1OCC	547955956	VBBIUEUQFGCAAH-UHFFFAOYSA-N	423.694	5.024	30	20	HKED	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C)c(SCC#N)s1	550192837	ZGWNEDHFHUVRLW-CYBMUJFWSA-N	413.490	5.293	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	553070987	FLKWCLXIJNWHBE-MRXNPFEDSA-N	405.523	5.422	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	554008023	SQFWALPTPWCGBU-OAQYLSRUSA-N	403.551	5.450	30	20	HKED	
C[C@H](NCc1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)c(F)c1	554586959	YPAPIODCCVNWKM-JTQLQIEISA-N	401.201	5.329	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	554856899	DPOKEMFXKZGRLC-KRWDZBQOSA-N	406.301	5.225	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1	561382434	YZYVDEXVCNMQRN-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)c(C#N)s1	564143693	LAGBAZNZPWMQLF-UHFFFAOYSA-N	403.507	5.422	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCCC[C@H]1C(F)(F)F	564747692	WQEVOROIGGBNFL-UXHICEINSA-N	402.416	5.544	30	20	HKED	
C[C@H](N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1F	576363238	CEYGOZYVTPVMKS-JWYJFAMSSA-N	411.952	5.615	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1)c1cccc(C#N)c1	590034766	QAWZXPNZTUGZLI-CYBMUJFWSA-N	411.477	5.115	30	20	HKED	
Cc1nc(OCc2nc(C)c(-c3ccc(Cl)cc3)o2)c(Br)cc1C#N	590587995	NODRKEVWQTVGNW-UHFFFAOYSA-N	418.678	5.220	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)n1	603722634	NVICLTIYVWXTHX-LLVKDONJSA-N	422.407	5.631	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3CCc3ccccc3)cn2)cc1	603828946	GBDDIEBATPTBHS-JOCHJYFZSA-N	412.493	5.375	30	20	HKED	
Cc1cccc2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c(Cl)c12	604005484	YJDYNKMBOALJDO-ZDUSSCGKSA-N	409.923	5.872	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1C1CCCC1	609078964	FFOKXNFPSXNOSY-DEOSSOPVSA-N	403.526	5.632	30	20	HKED	
CN(C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccc(C#N)cc1F	609298791	UYYVUFHVVSICPM-UHFFFAOYSA-N	408.860	5.135	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(/C=C\c4ccccc4)cs3)cc2)nc1	609756959	ASXUJLSZMVJBBA-POHAHGRESA-N	424.485	5.625	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ccnc2ccccc12	609907453	XPWKBOLYPHXDBZ-UHFFFAOYSA-N	421.500	5.565	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)c2)cc1	609987094	AAXNCGBSENXNGI-WIOPSUGQSA-N	411.505	5.200	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	616177113	UOMCAOTXMAVWJR-CQSZACIVSA-N	403.294	5.066	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	622566827	YYVAGJJQQMNBKB-QFYYESIMSA-N	407.329	5.285	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1	642157158	IYBBMZGBKJXDBQ-NXEZZACHSA-N	423.275	5.225	30	20	HKED	
CN(C(=O)Nc1cccc(C#Cc2cccs2)c1)[C@H](c1ccccc1)c1ncc[nH]1	644980472	WWKFIFNEICUSCY-JOCHJYFZSA-N	412.518	5.124	30	20	HKED	
CCCn1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C1CC1	677974392	ICKHAZNRVUCBKL-CYBMUJFWSA-N	418.444	5.289	30	20	HKED	
CN(C)c1ccc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1	683193320	WBHPSSGYFUHWRE-UHFFFAOYSA-N	412.280	5.321	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)CCCCc2ccc(C(C)(C)C)cc2)c1	727039362	WMQITCVLQMHSJI-JOCHJYFZSA-N	406.526	5.053	30	20	HKED	
O=C1/C(=C/c2ccccc2OCc2ccccn2)Cc2c(F)cc(Br)cc21	727780613	QDTPERMMGPVCCN-OQLLNIDSSA-N	424.269	5.385	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	728668556	YGAZPNGTKPXMAB-GOSISDBHSA-N	414.461	5.151	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sccc1SC(F)F	730486392	UGYRQHZJYCNZAB-UHFFFAOYSA-N	416.474	6.288	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=S)NCCSc3ccccc3)cc2)c1	731317546	HUEFPFDDVVLNCU-UHFFFAOYSA-N	405.548	5.429	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2sc3ccccc3c2Cl)ccc1OC	733230214	LRYLUAIYYJPWCG-CQSZACIVSA-N	414.914	5.174	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	733621393	KBYYDEULVWEYMB-FQEVSTJZSA-N	401.466	5.312	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)c1	733772936	JDZMMGXYBQZSCI-FERCGXDMSA-N	402.416	5.106	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)c1ccncc1	734359790	BHGCSCJFCHFUJM-GOSISDBHSA-N	422.941	5.491	30	20	HKED	
Cc1ccc(F)c(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1	734977660	BWVPXWPDINCLEK-UHFFFAOYSA-N	411.889	5.417	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1ccc(F)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1	736274542	KQTNDUATVZYIQU-UHFFFAOYSA-O	405.946	5.051	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nc2cc(Cl)ccc2s1	740531453	UQIJAVYWGOLRER-CQSZACIVSA-N	400.290	5.503	30	20	HKED	
CCOc1cccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)c1	743284651	NVBDOEYPBCGOEC-ZHZULCJRSA-N	424.547	5.174	30	20	HKED	
O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc(N2CCOC2=O)cc1	748584289	PINRVDRLTOPVGC-PKNBQFBNSA-N	416.458	5.409	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccc(C(F)(F)F)cc1	750292902	ZVZAWCSCAXSRPJ-IBGZPJMESA-N	403.404	5.437	30	20	HKED	
O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl	752831622	NIUAJNYQVSUHMT-LLVKDONJSA-N	418.671	5.065	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1ccccc1	757913824	LCQWYKUYAYBAST-DYESRHJHSA-N	407.514	5.158	30	20	HKED	
Cc1ccc(-c2cc(C(=O)NC3(C#N)CCSCC3)c3ccccc3n2)c(C)c1	757979829	HSLYBMZNWAPKRG-UHFFFAOYSA-N	401.535	5.038	30	20	HKED	
O=C(NC1CC1)c1cc(F)c(NN=Cc2c(Cl)ccc(Cl)c2Cl)c(F)c1	763183564	UIHIQLVUJMDUGW-UHFFFAOYSA-N	418.658	5.263	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cncc(-c2ccccc2)c1	764750782	QQCOPTVSLNCHNH-UHFFFAOYSA-N	413.264	5.076	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(C2CC2)[C@H]2CCCc3ccccc32)c1=S	764948786	RUCRBTHAIZUEAT-QFIPXVFZSA-N	417.582	5.162	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@@H]2c2cccc(C)n2)c1=S	765115725	HKIBERMGUPOGLU-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2cccc(NC(=O)c3ccncc3)c2)cc1	765255109	NMVAAYKZKSVZKL-SFHVURJKSA-N	421.928	5.316	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)c1	766327682	VZEPEVNZVXUFBK-FQEVSTJZSA-N	415.518	5.334	30	20	HKED	
Cc1ccc([C@@H](O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	770217269	JMVHQOBSNZMJMU-GGAORHGYSA-N	419.912	5.159	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)ccc1OC	772986609	PEVGMVTVECISHF-KBXCAEBGSA-N	405.325	5.460	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1	775486467	BLIYZFKWFOJVKA-IGKIAQTJSA-N	423.516	5.395	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OC)cc1	776078267	WIMRNQAAYASDDP-OALUTQOASA-N	410.926	5.842	30	20	HKED	
C[C@H](NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(OCC#N)cc1	776164806	URVZMQDIJGMARG-ROUUACIJSA-N	409.530	5.025	30	20	HKED	
C[C@@H](Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1ccc(OCC#N)cc1	777710270	VZVONPWNRGQUHL-LLVKDONJSA-N	419.230	6.010	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	789453072	XQSBRPSOYYHZIU-GOSISDBHSA-N	401.551	5.012	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)C(F)(F)C1CCOCC1	790663184	WVWGSMGXUQHPEX-UHFFFAOYSA-N	419.362	5.063	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1nccc2ccccc12	792092743	RIBIGZUVFDQRSK-JOCHJYFZSA-N	422.444	5.245	30	20	HKED	
N#CC[C@@H](CC(=O)Oc1c(Br)cccc1Br)c1ccccc1	796610633	ZUORIUWVDTWQBV-ZDUSSCGKSA-N	423.104	5.205	30	20	HKED	
CC(C)(CCC#N)COC(=O)Cc1csc(-c2cc(Br)cs2)n1	798877899	NNOTWRJSGFMHNZ-UHFFFAOYSA-N	413.362	5.050	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2ncccc2Oc2ccccc2)cc1	799369023	XKKPSXAPMKOSMY-UHFFFAOYSA-N	402.450	5.136	30	20	HKED	
N#CC1(CCCOC(=O)c2sc(-c3ccccc3)nc2C(F)F)CCOCC1	800190218	IYVIRCDFWGRFPK-UHFFFAOYSA-N	406.454	5.005	30	20	HKED	
Cc1[nH]nc(NC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)c1C#N	807395459	QZXJOSJWIDKBTN-UHFFFAOYSA-N	403.445	5.211	30	20	HKED	
O=C(/C(=C\c1ccc(OC(F)F)cc1)c1nc2ccccc2oc1=O)c1ccccc1	817342330	BMUCZCBEJINGJM-JXAWBTAJSA-N	419.383	5.213	30	20	HKED	
O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	825483080	UCDFREYNLSUTCR-UHFFFAOYSA-N	414.208	5.163	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2cccs2)cc1	915710678	VZUNFBVHFRHOLK-GAJHUEQPSA-N	419.550	6.075	30	20	HKED	
O=C(/C(=C/c1cnc(N2CCCC2)nc1)c1nc2ccccc2s1)c1ccccc1	915982505	GQGOFMNWXOADIP-RGEXLXHISA-N	412.518	5.110	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1C(F)(F)F	1245770516	OATHXQGUCIUHLS-UHFFFAOYSA-N	414.334	5.276	30	20	HKED	in-vitro
C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C2	1798333518	GSUZNFCITHUCRU-RDGPPVDQSA-N	414.615	5.066	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1828828474	KQNFAVCMXDXWCS-VXNXHJTFSA-N	412.618	5.121	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2)CC1	1829068638	IVCJRBXZNFVMGX-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1	6029722	IUSKAACGSIJHTK-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	21144011	SVLHFMKYRLOPPE-UHFFFAOYSA-N	404.391	5.026	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S	27498851	PQOUXRJOVUDVOE-INIZCTEOSA-N	423.567	5.264	30	20	HKED	
N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	41538347	UMURARXRUJCZRU-AWEZNQCLSA-N	418.261	5.515	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	52931121	SBAQUGPLQFAOKH-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
COc1cc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cc(OC)c1OC	60241327	QEFDQEGTPXQHBD-LFIBNONCSA-N	407.491	5.048	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(\S)Nc1ccc2c(c1)CCC2	63440768	NYIZPBGHOLRXMP-UHFFFAOYSA-O	401.555	5.076	30	20	HKED	
CN(C)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F	65851324	LCIPOPKDQMLXKZ-LJQANCHMSA-N	407.876	5.453	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1	105942498	KCHDYAAKFDMQNO-UHFFFAOYSA-N	412.942	5.133	30	20	HKED	
C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1	108733298	UHTYXCUCSUQIDN-GOSISDBHSA-N	404.460	5.559	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2F)n1	303504433	ZFUMJOPQZCZRKD-CQSZACIVSA-N	408.502	5.132	30	20	HKED	
COc1c(Cl)cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Cl	428903383	CJWCLLHYUAPFON-UHFFFAOYSA-N	415.280	5.031	30	20	HKED	
C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1OCCc2sccc21	429122081	JHYDSLRFAQUSEM-CYFREDJKSA-N	402.563	5.240	30	20	HKED	
CC1CCN(Cc2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1	431807401	GFRMVZLVCOQBGU-RUZDIDTESA-N	418.585	5.153	30	20	HKED	
C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N[C@H](CCCC#N)c1ccccc1	431856941	XAAIUSDCJDBLGO-VQIMIIECSA-N	419.447	5.207	30	20	HKED	
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	432763844	QWTHIHSKZMCVQA-HSZRJFAPSA-N	418.541	5.224	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c(Cl)c1	433285029	RTGUDLWEOMHOMA-HNNXBMFYSA-N	418.722	5.071	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2csc(CCc3ccccc3)n2)cc1	435142613	IMFWFLINIAZOCY-UHFFFAOYSA-N	404.539	5.051	30	20	HKED	
COc1ccc(-c2csc(NC(=O)C3(c4cccc(C#N)c4)CC3)n2)cc1Cl	435147334	DBJGCEXCCBGJGI-UHFFFAOYSA-N	409.898	5.014	30	20	HKED	
COc1cccc(C=C2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c1	435553194	BOKJTCUPRUJMLL-UHFFFAOYSA-N	405.498	5.065	30	20	HKED	
CN(Cc1cc(Br)cs1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438656458	NSPPURGKTSAEHW-UHFFFAOYSA-N	418.238	5.065	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](C)c1cccnc1	438661510	SGBRZJFSBZVNIP-MRXNPFEDSA-N	404.445	5.500	30	20	HKED	
Cc1sc([C@H](C)NCc2ccc(C#N)cc2Cl)nc1-c1ccc(Cl)cc1	439428474	GHPFRSIOZUAKBR-LBPRGKRZSA-N	402.350	6.148	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(Br)cc1Cl	439624322	VUDMKMCMBQYQRF-UHFFFAOYSA-N	424.701	5.556	30	20	HKED	
CCCc1c(NC(=O)c2oc3ccc(F)cc3c2C)cnn1-c1cccc(C#N)c1	440077999	MXGGRINOMFZPJS-UHFFFAOYSA-N	402.429	5.143	30	20	HKED	
Cc1c(Br)cccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	442667815	ASRUSHVLNBCYJW-GFCCVEGCSA-N	405.704	5.511	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)cs1	442681313	HXLVVHWCLQNLAR-HNNXBMFYSA-N	408.433	5.353	30	20	HKED	
O=C(Nc1c(F)cc(Br)cc1F)c1c(F)cc(C(F)(F)F)cc1F	463960351	IUKSBEZRBBSVEB-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	464828469	GERAMJHVHCMUBE-UWVAXJGDSA-N	411.571	5.252	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	464938613	MGUTYHPPIBTNKC-MAODMQOUSA-N	400.444	5.497	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)o1	466850124	XRFSVAIUHAQRLU-OAQYLSRUSA-N	418.518	5.426	30	20	HKED	
CCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1[N+](=O)[O-]	471351913	NASPJKRVXVHABJ-UHFFFAOYSA-N	415.449	5.055	30	20	HKED	
Cc1nc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)oc1-c1ccc(Cl)cc1	471561513	ADXAFKRFCNCTBE-UHFFFAOYSA-N	411.893	5.053	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@]3(CCCOC3)C2)c1	473543639	BAMBRUJPSMKXPD-QHCPKHFHSA-N	410.901	5.037	30	20	HKED	
C[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	479363412	UVFORFKHXRDDQM-AWEZNQCLSA-N	421.488	5.830	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1nnc(/C=C/c2ccco2)s1	479562722	LPXXUEBWSIKFKQ-VAWYXSNFSA-N	414.446	5.218	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1C)c1ccc(F)c(F)c1	480830053	PITFPKPRPMZFQH-YCRPNKLZSA-N	415.484	5.240	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1nc(-c2ccsc2)oc1C	481380449	YOVARDBBTALMAO-UHFFFAOYSA-N	424.551	5.360	30	20	HKED	
COc1ccc([C@@H](NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)cc1	482147985	FMXCNKQMZNIQRD-LSDHHAIUSA-N	424.316	5.041	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1	483238976	DOQUYYOPNMTZPR-DEOSSOPVSA-N	403.441	5.176	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	486658358	PNEAUVCIUPMLHV-HNNXBMFYSA-N	407.495	5.384	30	20	HKED	
CCC[C@@H](NC(=O)[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N)c1ccccc1	488760409	DZWLEEUQQOFBPW-XJKSGUPXSA-N	407.461	5.110	30	20	HKED	
CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1	494717909	GQJIJTFQBDYWKK-QHCPKHFHSA-N	411.473	5.570	30	20	HKED	
CC[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Cl)s1	497482914	LNYSSZFOCDNFJC-INIZCTEOSA-N	421.925	5.116	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1	497808459	PLBJITIURXPEJV-FCHUYYIVSA-N	418.443	5.352	30	20	HKED	
CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1sccc1C#N	497992788	FFRRNSVXDRVTEK-UHFFFAOYSA-N	404.413	5.561	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1	498721371	KUCJRISMQGKQQK-MJGOQNOKSA-N	418.006	5.010	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cccc([C@@H]4CCCOC4)c3)c2)c1	499477678	JMMAXXPFEUXHIC-HSZRJFAPSA-N	412.489	5.284	30	20	HKED	
C=CCc1cc(CNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cc(OC)c1OC	503323846	NAWNGDGVHFMBTJ-DHIUTWEWSA-N	401.506	5.005	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1	505927927	GFXRSWWKTCGZAA-INMHGKMJSA-N	412.333	5.209	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C#N)c1ccccc1F	505977151	QWEOTRKOGZYWQC-OAHLLOKOSA-N	404.228	5.091	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(C)(COC)CC1	508839471	FUVSJMIXHJKZDT-IBGZPJMESA-N	420.557	5.010	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)o1	512144425	AVWFWZOFHPKQKE-UHFFFAOYSA-N	418.783	5.237	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)c2cc(C#N)ccc2Cl)nc1-c1ccccc1	513421398	WAZCYVIWORARJZ-HXUWFJFHSA-N	419.912	5.967	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)N(C)CCOCc1ccc(C#N)cc1	515476734	NNHLIXJTXMKLFV-UHFFFAOYSA-N	403.935	5.004	30	20	HKED	
Cc1sc(-c2ccco2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	516270301	RFCSOPFNMRKUSF-HNNXBMFYSA-N	416.487	5.197	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)c(C)c1	518661663	FHQHPQKNWOXAPI-OAHLLOKOSA-N	421.591	6.239	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc2ccccc2c1)C1CC1	520856412	DGVROWWWOOBPHD-GOSISDBHSA-N	415.562	6.288	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1	521016180	OLAHEJZFAVXGCZ-HNAYVOBHSA-N	404.432	5.286	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1	522635378	HJOZVVOUVOSHGZ-UHFFFAOYSA-N	424.928	5.568	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	523933577	BJAAGTWZTPLZAC-GOSISDBHSA-N	424.957	5.817	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(Br)c1	524138588	XMERTWIYAHMXJB-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C1	524200352	HKUBOJQZPXSSHG-XCLFUZPHSA-N	406.313	5.170	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl	525038371	YBZVXNSJHVCXTA-UHFFFAOYSA-N	409.917	5.025	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)c2)cs1	530877634	NYFKHBDQYNILHL-QGZVFWFLSA-N	417.412	5.012	30	20	HKED	
N#CC1(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)CCSCC1	535959409	MHSGXLPGWOWVBF-UHFFFAOYSA-N	407.322	5.305	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](CCCCc3ccccc3)c3ccccc3)o2)cc1	537122578	DWBJVLYCUULDNV-VWLOTQADSA-N	422.532	5.852	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CN[C@@H](CC(F)(F)F)c2ccccc2)ccc1Cl	539275188	BUFJLTGXLBVRIU-IBGZPJMESA-N	423.866	5.178	30	20	HKED	
Cc1nc(SCCCC2(C#N)CCOCC2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	540804618	WQVGXEDXTSYAEL-XSDIEEQYSA-N	401.620	5.690	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)CC2)cc1	540824733	KIWYBEIOQNXODO-UHFFFAOYSA-N	421.460	5.083	30	20	HKED	
O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccccc1CCC(F)(F)F	543131040	BAGQUQIESKMMNA-HNNXBMFYSA-N	411.292	5.493	30	20	HKED	
C[C@@H](Nc1ccn(CC(F)(F)F)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	545934551	RQIVIMXYORPAOD-MRVPVSSYSA-N	405.264	5.656	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1c(F)cccc1Cl	576507755	IZYVXFMXCHXSRK-CYBMUJFWSA-N	410.836	5.421	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)N[C@H](C)c2cccc(C#N)c2)cc1OC	580590074	PLSUSSAUJNVPBN-NTKDMRAZSA-N	400.522	5.519	30	20	HKED	
C=CCN(C(=O)[C@H]1CCCOC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	589894815	QVIYSXIOKDUYBB-NRFANRHFSA-N	404.535	5.423	30	20	HKED	
C=CCn1c(SCCOCc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1	594414803	GCQIVKPMGZLUPK-UHFFFAOYSA-N	415.946	5.102	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1	603657690	CUSVGVPPLVHXFY-QHCPKHFHSA-N	422.532	5.923	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2cccs2)on1	603739097	PXNSNABJKJKZAC-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
CC(C)c1ccccc1OCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	603814495	FEUZGECHWQXDOY-UHFFFAOYSA-N	414.505	5.473	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1	603905493	GDZAODTZXSEBHO-KRWDZBQOSA-N	404.466	5.008	30	20	HKED	
N#Cc1ccccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F	604465186	VEUNZUGNWQFNOE-UHFFFAOYSA-N	412.367	5.387	30	20	HKED	
CC(C)(C)c1ncc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)s1	609028802	PPDDLFUOIXXNCX-IBGZPJMESA-N	405.523	5.014	30	20	HKED	
CCC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccn1	609213468	MSGCHOPNNQEJGG-DEOSSOPVSA-N	416.500	5.346	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1	609378011	UDCAUIJFILOJJT-ZDUSSCGKSA-N	413.593	5.613	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cc2ccccc21	609407377	BJLKXXGESVZULR-UHFFFAOYSA-N	409.474	5.089	30	20	HKED	
N#Cc1c(NC(=O)C[C@@H]2OCCc3ccccc32)sc2c1-c1ccccc1CC2	609642262	JIEFZNAFODVMQM-FQEVSTJZSA-N	400.503	5.028	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)S[C@@H](C)c2ccc(C#N)cc2)c(Br)c1	609826153	WQGWWRSAHMKMCL-KBPBESRZSA-N	403.345	5.451	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c(Cl)c1	611207331	FBYGCSIBGHRALE-UHFFFAOYSA-N	401.875	5.407	30	20	HKED	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1C	614397575	GJYWBSYCLXJBJZ-INIZCTEOSA-N	403.448	5.125	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccc(SCc3ccccc3)cc2)cc1	615001909	RKTHKZBNPBJSOS-UHFFFAOYSA-N	402.519	5.147	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(CCCOc3cccc4ccccc34)no2)cc1	615131384	KKICQKJBKBRTNF-HSZRJFAPSA-N	424.504	5.448	30	20	HKED	
C[C@@]1(C#N)CCCN(c2nnc(-c3cccc4ccccc34)n2Cc2cccs2)C1	619855091	OQWYJXPHEYGGMZ-DEOSSOPVSA-N	413.550	5.338	30	20	HKED	
C[C@@H](CC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc(C(F)(F)F)cc1	622566640	TTXRFMSEDCFJPM-DYZYQPBXSA-N	407.329	5.600	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N1CC(Cc2cccc(C(F)(F)F)c2)C1	645001172	UYBXLEIANWSAOK-UHFFFAOYSA-N	420.328	5.570	30	20	HKED	
C=CCn1c(C)nnc1SCCCC(=O)Nc1c(CC)ccc(Cl)c1CC	645075350	MCMOHBBODBJQQM-UHFFFAOYSA-N	406.983	5.062	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1-c1ccccc1Br	726323065	XDJCJKNJLRGYDJ-AWEZNQCLSA-N	420.266	5.086	30	20	HKED	
C#Cc1cccc(N(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C(C)C)c1	728247089	RHPYQALCBABHGD-UHFFFAOYSA-N	412.518	5.032	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1cccc(OCC#N)c1	729037553	UVHBONNHCWODCO-UHFFFAOYSA-N	423.513	5.899	30	20	HKED	
N#CCOc1ccc(CNC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)cc1	729969121	BMUQDSIFPKSFDJ-JOCHJYFZSA-N	422.937	5.392	30	20	HKED	
CC[C@H](Oc1ccccc1C(C)C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	730070849	BVDNIGDNJOIPKS-LPHOPBHVSA-N	411.452	5.589	30	20	HKED	
N#C[C@@H](NC(=O)CCSc1nc2ccccc2s1)c1cccc(Cl)c1Cl	731195936	RAONZDQSYSHRQP-CQSZACIVSA-N	422.362	5.466	30	20	HKED	
C[C@H](SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1	731938466	GDLXYDFHIRJALR-KBXCAEBGSA-N	412.967	6.134	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1Cl	733753047	ZJTADVLUYBSRFU-UHFFFAOYSA-N	421.835	5.225	30	20	HKED	
N#Cc1ccc(-c2cccc(CNc3cc(-c4ccccc4)nc4ncnn34)c2)s1	739890697	RHVIVTKXGZENBY-UHFFFAOYSA-N	408.490	5.004	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2s1	741427831	MFNKHSZMTYRUOL-MGPQQGTHSA-N	402.397	5.175	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)O)c2)cc1	741470775	VPSDAPQZVFJZCL-IUYQLWOBSA-N	402.446	5.110	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744029815	WNUPKTLFRYGPEM-DNVCBOLYSA-N	424.422	5.700	30	20	HKED	
COc1ccc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OCCCC#N	747361319	KJCYFUIVHPNVKC-JXTQQTEDSA-N	418.449	5.116	30	20	HKED	
N#Cc1csc(/C=C2\CN(c3ccccc3)C/C(=C\c3cc(C#N)cs3)C2=O)c1	748441032	UXPUXKDXVQHCCI-GCBPPVMSSA-N	413.527	5.109	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)c1ccc(Cl)s1	750548917	QRKKDXOCXOZKNT-OLZOCXBDSA-N	422.959	5.081	30	20	HKED	
C#CC[C@@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccccc1	757617970	RRANIXKVAHWBIW-LJQANCHMSA-N	422.937	5.457	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cncc(-c2ccc(C)cc2)c1	757874994	MKWXILMTZJSLSD-QHCPKHFHSA-N	411.505	5.143	30	20	HKED	
C#CC[C@H](OC(=O)C[C@@]1(CC)OCCc2c1[nH]c1c(CC)cccc21)c1ccccn1	759307492	GHEIJRPTHZDEQA-BKMJKUGQSA-N	416.521	5.001	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1	760797069	DOSOTIRYPLEFQR-OAQYLSRUSA-N	410.832	5.140	30	20	HKED	
COc1ccc2[nH]c3c(c2c1)C(=O)/C(=C/c1ccc(OC)c(OCCCC#N)c1)CC3	765613841	NQTQIHOGTQQENZ-GHRIWEEISA-N	416.477	5.080	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)c4ccccc4OCC#N)cc3C2)cc1	771804151	FVINJEPCYODGDH-UHFFFAOYSA-N	411.505	5.485	30	20	HKED	
C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc2ncsc2c1	776880719	CONATBBVVQYNRA-AWEZNQCLSA-N	418.547	5.457	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(SC2CCCC2)cc1	777117990	PYOPSLVDJXAPMW-SFHVURJKSA-N	421.610	5.727	30	20	HKED	
CC(=O)N1C/C(=C/c2csc(-c3ccc(Cl)cc3)n2)C(=O)c2ccccc2C1	778520043	NFBJQWXLRMSFFE-YVLHZVERSA-N	408.910	5.092	30	20	HKED	
CC(=O)N1C/C(=C/c2ccc(SCc3ccccc3)cc2)C(=O)c2ccccc2C1	778520469	YNELFRYPAHUNHG-HAHDFKILSA-N	413.542	5.607	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1nc(-c2cc(Cl)ccc2Cl)cs1	779609741	WKSZGBCIGFIOCO-UHFFFAOYSA-N	408.285	5.770	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	780022559	FNFFAQIXQOTVJB-CZUORRHYSA-N	407.461	5.159	30	20	HKED	
N#Cc1ccc(CNC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)nc1	782733568	ROFLEYWNWSNSAW-UHFFFAOYSA-N	414.317	5.341	30	20	HKED	
Cc1cc(C)c(NC(=O)COC(=O)c2sc3ccc(C#N)cc3c2C)c(Cl)c1	796624425	MQQIFZQTCROZOY-UHFFFAOYSA-N	412.898	5.147	30	20	HKED	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C1\C[C@@H](C(=O)O)c2ccccc2C1=O	806560517	MPHSECXXAXNTGF-MKRMIXIUSA-N	414.505	5.067	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c1	809128588	YMMPPMUOZCPPPW-HNNXBMFYSA-N	423.284	5.263	30	20	HKED	
CCOc1ccc(CCC2CCN(C(=O)c3ccccc3SCC#N)CC2)cc1	810978378	ZPBRAOWFTWXYEO-UHFFFAOYSA-N	408.567	5.186	30	20	HKED	
CC(=NOCc1cc(-c2ccc(F)cc2)no1)c1nc2ccccc2n1C(F)F	915218846	YVDKZWGAPAGYOG-UHFFFAOYSA-N	400.360	5.166	30	20	HKED	
CCC(=O)c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	916628507	VQIPEJQUXRWUOW-GOSISDBHSA-N	424.909	5.311	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	916932125	PXIAOZCXIBNJGT-DANOYGIBSA-N	401.293	5.279	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(F)c2)CCC1)c1nc(-c2ccc(Cl)cc2)cs1	916976153	LVNNKLVMYYLSBN-GOSISDBHSA-N	410.901	5.901	30	20	HKED	
Cc1cc(C)cc(OCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917044857	VLJQYOVSDBTALE-MRXNPFEDSA-N	418.440	5.577	30	20	HKED	
Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1nc2ccccc2s1	918483556	MHDWPPCDAUGKMJ-CQSZACIVSA-N	424.323	5.198	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	920110287	OANQBQGVYSHAHY-QGZVFWFLSA-N	419.308	5.199	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2cccc(F)c2)c1	920383789	LBVWKUYIWOFLOT-UHFFFAOYSA-N	416.456	5.142	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CCC1	1785755424	BOJQHPZAQMNEQI-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C)cc2)CCC1	1787344674	HPDVDGYNOZRPOP-NRFANRHFSA-N	406.526	5.413	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(C)n3)CCC2)cc1	1789622528	MJEYEQQZEJQTJX-UHFFFAOYSA-N	419.569	5.059	30	20	HKED	
N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CC4CCCC4)CCC3)cc2)c1	1790764532	AZXXNQKLWGYEAP-UHFFFAOYSA-N	419.500	5.025	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1	1791587408	SSDVEYGPBDSSFV-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2)CC1	1823753968	SFGRUNARTJVGKI-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1c(C)cc(C)cc1Cl	11089488	BYUVYDDWHXDTCS-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1	14908400	DTFWMCFBBTYJTL-NZQKXSOJSA-N	415.518	5.051	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1Cl	15566620	HDFFHMWBQKIFTA-UHFFFAOYSA-N	416.289	5.431	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1cccc(Cl)c1	22730615	QMEKEKZUXNPPPJ-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	41549373	LTWRMHFNPAQYRN-LBPRGKRZSA-N	412.339	5.407	30	20	HKED	
C=CCOc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1	45194860	GOSHNNGQAQNUAJ-UHFFFAOYSA-N	411.889	5.006	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47580610	CESHKCUXXVPWDF-GOSISDBHSA-N	417.484	5.696	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl	60017594	XUSWXMMSLLJKCD-UHFFFAOYSA-N	405.306	6.119	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SC(C)C)cc1	60351486	CAIHLDMFROBOMM-UHFFFAOYSA-N	418.518	6.112	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1OCC	65473457	PSTDIEIYQMPNIY-MRXNPFEDSA-N	411.502	5.026	30	20	HKED	
C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1ccc(C#N)cc1	105918042	ICKLZYDZYKMCGS-INIZCTEOSA-N	412.518	5.218	30	20	HKED	
C=C1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)CC1	111176159	DPQQIPHOKWINIX-UHFFFAOYSA-N	418.994	5.103	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)s1	195535733	AMZQIVOOLXLHFE-UHFFFAOYSA-N	406.536	5.202	30	20	HKED	
CCOc1ccccc1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	303210521	QWCLEOMMGUHFBU-UHFFFAOYSA-N	414.505	5.416	30	20	HKED	
CC(C)N(C)Cc1ccccc1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	303219795	UZLSYGNRLRLRQL-UHFFFAOYSA-N	413.521	5.121	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1	303416018	WLTNEOKWDRHSHK-KGLIPLIRSA-N	407.461	5.840	30	20	HKED	
CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccs1	303522925	DKOOFLXCBIICHM-UHFFFAOYSA-N	406.576	5.620	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3ccncc3)c2c1	303561542	AFCGTLINEWKJLL-JXMROGBWSA-N	420.472	5.320	30	20	HKED	
CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	429048191	MJMWCISZHQUHOB-PKTZIBPZSA-N	423.582	5.517	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)C	431364323	URRMBYKJNWASIE-DYESRHJHSA-N	423.582	5.231	30	20	HKED	
N#CCCC[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1	431642845	IOACKHNBYWQOGS-INIZCTEOSA-N	416.852	5.072	30	20	HKED	
N#Cc1ccc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)o1	432887302	ZHSMLLDKDQOHOW-UHFFFAOYSA-N	400.356	5.235	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1	433016925	VTAJDDZZOLZURH-HXUWFJFHSA-N	401.470	5.171	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2cc[nH]c2c1	433649629	OELVNCZXHXIGSG-UHFFFAOYSA-N	402.267	5.290	30	20	HKED	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	434009690	BKJRLQUNSQTFLF-IIBYNOLFSA-N	402.523	5.015	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	436336843	NTOWASZVIPVIEQ-LXZKKBNFSA-N	417.481	5.360	30	20	HKED	
COc1ccc2oc([C@@H](C)NC3CCC(Oc4ncccc4C#N)CC3)c(C)c2c1	437094389	VNGRAKQNQBGGHP-IPJUCJBFSA-N	405.498	5.057	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Br)c1	437263384	ARXBZKKBCBZUGU-QZTJIDSGSA-N	403.707	5.014	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)cs1	437611317	CYXAZLYSJJHWNJ-IRLDBZIGSA-N	402.523	5.422	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc1	437898065	AGMUDTPADGDNNK-UHFFFAOYSA-N	401.432	5.707	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc3cccnc23)cc1F	438657456	VEGKPKJFOVJRQT-UHFFFAOYSA-N	412.424	5.360	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	439121671	ZIGGJVZZWGCAAS-NHCUHLMSSA-N	402.519	5.444	30	20	HKED	
CCCc1c(NC(=O)N(CC)[C@@H](C)Cc2ccsc2)cnn1-c1cccc(C#N)c1	439682288	CXKPLGQELFXTHD-KRWDZBQOSA-N	421.570	5.243	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1C	441047102	ONZVQWFEBHZHOH-UHFFFAOYSA-N	403.223	5.270	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21	444256993	BFSDRXRAUOCCLK-IBGZPJMESA-N	411.292	5.247	30	20	HKED	
Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	446097187	WMLLUZXFCYRFJC-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
COc1cc(C#N)ccc1CN1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1	447397372	ZTVARNZPANOSSE-LJQANCHMSA-N	419.550	5.079	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n1	447400318	ZQERFPXNYUPZJG-KRWDZBQOSA-N	407.514	5.209	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1	447987032	DGRJMFGSDNOVKY-QGZVFWFLSA-N	417.509	5.075	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	463209707	DFMOPOBVXQEXHF-INIZCTEOSA-N	402.947	5.398	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1C(F)(F)F	464944935	ZBOOIMOJHOJGRC-OZOXKJRCSA-N	400.444	5.497	30	20	HKED	
CSc1ccc(F)cc1CNC(=O)c1ccccc1Sc1ccccc1C#N	465198953	VVRBCHRZXGJEKP-UHFFFAOYSA-N	408.523	5.500	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(N5CCCCC5)cc4)no3)cc2)nc1	467251898	UHPCXTOEOMGKTI-UHFFFAOYSA-N	423.476	5.453	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1	467633361	CAGDKIOFTUOCBB-KGLIPLIRSA-N	401.457	6.112	30	20	HKED	
N#C[C@H]1N(C(=O)CCCCc2ccc(Cl)c(Cl)c2)CCC[C@]12CCCCO2	468653488	WBXIGZUTUBZOOP-TZIWHRDSSA-N	409.357	5.160	30	20	HKED	
CC(C)[C@@H](CSc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	468904388	GSXQTDXYIQTDLC-JOCHJYFZSA-N	407.583	5.498	30	20	HKED	
C[C@@H](CCNC(=O)CSCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1	470015640	PECHITYITWJCBI-HNNXBMFYSA-N	406.473	5.120	30	20	HKED	
COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	470573553	JBWGLLGTZSRFBE-QFIPXVFZSA-N	409.917	5.058	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n(C)n1	473951566	SAAHSZMZBVLMKR-CYBMUJFWSA-N	419.337	5.464	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1cn2cc(Cl)cc(Cl)c2n1	475181860	ZLVKMOUVQCMVNX-UHFFFAOYSA-N	410.264	5.312	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCCO)Cc1cccc(Cl)c1	475566079	GWVJNRVYMMSQTO-UHFFFAOYSA-N	400.950	5.608	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cs1	477713943	PEFQOFITTCYPOY-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)Cc1csc(Br)c1)c1ccc(F)c(F)c1	477728235	VHTDURQTUZUCKO-INIZCTEOSA-N	415.303	5.248	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cc(Cl)ccc1C#N	479573496	JEFNBFMWWLTSGX-UHFFFAOYSA-N	405.816	5.291	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2nccc3ccccc23)cc1C	483233946	JUYSGXJGUDWNLQ-JOCHJYFZSA-N	419.488	5.119	30	20	HKED	
CC(C)(C#N)CNC(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	484836535	KYZFCVONPDPMHD-UHFFFAOYSA-N	416.481	5.015	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	485754167	LLEVOMAUGDEEKK-UHFFFAOYSA-N	424.576	5.232	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1	486939550	OHZXZUIXSIJMPR-UHFFFAOYSA-N	412.538	5.004	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1	490196696	KJTPAAFFMSIARD-UHFFFAOYSA-N	421.280	5.024	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1cc(C#N)ccc1Br	492436924	HFHBIYVQYRYMJZ-UHFFFAOYSA-N	400.320	5.226	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C/C(C)=C/c2ccccc2)cc1	494575462	CROBBKVEUMKRIR-CZIZESTLSA-N	403.526	5.068	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc1	495268583	YLCLCGQGZRQFLT-UHFFFAOYSA-N	421.334	5.114	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@H]1COc2ccccc2O1	497669852	AWZNVLWRKPIAJO-ORAYPTAESA-N	415.465	5.108	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(Cl)sc1Cl	500887358	KSEBINMLVLVTJT-UHFFFAOYSA-N	401.363	5.120	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([C@@H]4CCCOC4)cc3)n2)cc1	505432652	BXCPEDXPBJVZEU-RTWAWAEBSA-N	402.519	5.503	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cs2)cc1	505939228	URDBHQYFOGQLOG-GOSISDBHSA-N	415.440	5.061	30	20	HKED	
Fc1cccc(F)c1[C@@H](NCc1nc2cc(C(F)(F)F)ccc2o1)C(F)(F)F	506290814	CYGNDCRQTHZZIC-OAHLLOKOSA-N	410.264	5.518	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1	508819226	XVGJYXULJISMMD-UHFFFAOYSA-N	424.776	5.106	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	511473001	DTEGCIMRWNWTLG-UHFFFAOYSA-N	403.457	5.298	30	20	HKED	
COc1ccc(CN(CC2CCC2)C(=O)N[C@H](CCC#N)c2ccccc2)c(OC)c1	511561658	QWYXTGQZZGHRPX-HSZRJFAPSA-N	421.541	5.061	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)ccc1F	517251511	XJPSLNJMDIFBTK-UHFFFAOYSA-N	418.815	5.339	30	20	HKED	
C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	520045900	VXWDMILCTGNTRM-AWEZNQCLSA-N	400.320	5.003	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	521599759	PFFHABMIQAWWID-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
COCc1nc(N[C@H](C)c2ccc(C#N)cc2)c2c(-c3ccccc3)csc2n1	522133771	JQGAWMGNTWKESP-OAHLLOKOSA-N	400.507	5.549	30	20	HKED	
CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	522705587	PUFTYPHABRZPCP-YVWKXTFCSA-N	413.974	5.791	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)sc1-c1ccc(F)cc1	524013275	HSJYUYTWOITGNK-OAHLLOKOSA-N	404.388	5.767	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	524221489	RWLROPILUJNEOZ-UHFFFAOYSA-N	412.227	5.193	30	20	HKED	
N#Cc1cccc(-c2nnc(CSc3nnc(-c4ccc5ccccc5c4)o3)o2)c1	525115182	IWJQOFYMNSZGJR-UHFFFAOYSA-N	411.446	5.104	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1cccc(Cl)c1	532201314	LPEOQXFCXIXIRP-LSDHHAIUSA-N	404.988	6.025	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(F)cc3cccnc23)cc1	535762523	LZEQPPGPVLYMAN-UHFFFAOYSA-N	413.427	5.227	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2CCC(F)(F)F)cc1	536162561	GCCFKRMRCSBRQH-UHFFFAOYSA-N	416.443	5.248	30	20	HKED	
N#CC1(CCCN[C@@H](c2ccccc2)c2ccc(Br)cc2)CCOCC1	538610934	AZYRQMVGWNQJRC-NRFANRHFSA-N	413.359	5.229	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2ccncc2CC)cc1OCC	540651272	SRDIXQZSPWOSKK-OAHLLOKOSA-N	419.363	5.221	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1	549281428	SQCFRFCLOXAMNN-UHFFFAOYSA-N	415.541	5.316	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Sc3nncs3)cc2)sc2ccc(C#N)cc12	550631805	PMHFBSWGHCZSDW-UHFFFAOYSA-N	408.533	5.336	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccccc1Br	557576980	PKSGYLBESZDOCF-CQSZACIVSA-N	418.360	5.065	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@](C)(C#N)CCc1ccccc1	558319630	VODLWPJOQQPHNY-QFIPXVFZSA-N	411.477	5.042	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c(C)c1	560283384	ZRYLXYHPBKBIHB-AVRDEDQJSA-N	423.582	5.376	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)c1cnc2ccccc2n1	561983643	BPYWNXJSHPEUCX-GOSISDBHSA-N	423.863	5.112	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ncc(-c4ccc(Cl)cc4)o3)cc2)ccn1	564558485	IEHVISRCKRUVBA-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1c(F)cc(F)cc1F	569536187	DFTJUYIEBAFHNM-UHFFFAOYSA-N	417.227	5.316	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	573160620	PEWXINROJQPAGF-WDEREUQCSA-N	407.285	5.327	30	20	HKED	
C[C@H](c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)N(C)CC(F)(F)F	576025494	ITDMONRPNREYNZ-SSDOTTSWSA-N	421.263	5.329	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	579532466	AYLBRLBQXFYRPG-HNNXBMFYSA-N	406.873	5.624	30	20	HKED	
O=C(NCc1ccc(F)c(Cl)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	586520124	LFEQHEIKICVIAO-NXEZZACHSA-N	420.756	5.188	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2C)C2CC2)cc1	589723562	CQJHXJJJAAHULL-UHFFFAOYSA-N	403.526	5.006	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)c1	604473771	BXZWKTHQTDCEGN-CLJLJLNGSA-N	416.496	5.286	30	20	HKED	
CCOc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	604488103	YLAYRCDOCOXZFR-INIZCTEOSA-N	402.454	5.027	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OC3CCC3)n2)cc1	605362701	PKQBMWWRPNWPAA-IBGZPJMESA-N	404.491	5.240	30	20	HKED	
N#C[C@@H](C(=O)c1cc2occc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1	606147405	WDOICZDXQLGXAB-NSHDSACASA-N	419.314	6.415	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1	609066305	FVBNTTPEQZDMLR-UHFFFAOYSA-N	405.813	5.189	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCOc2ccccc21	609101830	IIQQXLKQTNLSKO-QFIPXVFZSA-N	400.453	5.105	30	20	HKED	
CC(C)COc1ccc(CCNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	609403069	QDSZESPVQQTAOF-GOSISDBHSA-N	411.571	5.337	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc3c(C)cccc3s2)cc1C	609456547	PZILYQZYCOKAGP-UHFFFAOYSA-N	415.522	5.251	30	20	HKED	
C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	609601111	QUGZAZFSNAIPLA-RUZDIDTESA-N	412.493	5.331	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1	609627655	MLQSUNHBMTXIRL-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1	609773215	ZXIFEVGHNHLLEI-MJGOQNOKSA-N	413.518	5.072	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1C(F)(F)F	610240108	XXRDRTIOJBWBPI-BDJLRTHQSA-N	416.321	5.089	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)ccc1OC1CCCC1	610347980	FFLIDUDMULFZDK-IAGOWNOFSA-N	407.514	5.010	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccccc1Cl	611092760	GOPWQEILEDPMIS-SFHVURJKSA-N	424.759	5.331	30	20	HKED	
N#Cc1ccc(CSCc2csc(-c3ccccn3)n2)c(Br)c1	611496437	AULQSTVLXDNNIX-UHFFFAOYSA-N	402.342	5.273	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)cc1	619756784	BBWAVADFDYVTCN-ZWKOTPCHSA-N	416.378	5.360	30	20	HKED	
Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)C	619847890	XBPTWHBQSLVLMX-QHCPKHFHSA-N	420.586	5.163	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(C(F)(F)F)n1	622284042	MGSKCVTZSBVCML-UHFFFAOYSA-N	417.231	5.094	30	20	HKED	
O=C(Nc1cc(C(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	676134911	GEPGLDDXMXVZHC-DTORHVGOSA-N	424.719	5.872	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](OCCC)CC1	685540295	NPSAPOURLODWLY-RTWAWAEBSA-N	412.578	5.006	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2ccccc2CC)c1	726573031	WMVGYOLXZKSYNP-UHFFFAOYSA-O	419.595	5.519	30	20	HKED	
Cn1cc(C=NNc2ccc(OCC(F)(F)F)cc2)c(-c2cc3ccccc3o2)n1	727257877	IIROFSSNIBVXCX-UHFFFAOYSA-N	414.387	5.220	30	20	HKED	
CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(O)c(CN2CCCCC2)c1	727261588	GAKPNNQMQXAYEG-UHFFFAOYSA-N	421.463	5.155	30	20	HKED	
CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	729036356	OGELYCFGWJGXJZ-XMMPIXPASA-N	401.485	5.924	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	729890841	QZWKCZVHVAFCHU-OUNRHQKTSA-N	400.478	5.259	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl	731136482	QWKFSENSRHHCEZ-YOEHRIQHSA-N	401.293	5.151	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1	733798373	TWSDLYYALYTIFJ-RLWLMLJZSA-N	423.516	5.563	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)sc2cccc(F)c12	734081700	QPUHRHZGXTYDHP-ZDUSSCGKSA-N	423.494	5.195	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccncc1	734657201	XGBFXGAILMSMMW-MBSDFSHPSA-N	414.509	5.012	30	20	HKED	
Cc1ccccc1COc1c(C)cc(C=Nn2c(C)nc3sccc3c2=O)cc1C	734745997	SYCHKKADKJIRFZ-UHFFFAOYSA-N	417.534	5.153	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cn1)c1ccccc1	735343302	DKAPLWZKUALXFJ-MRXNPFEDSA-N	422.868	5.134	30	20	HKED	
COCCCOc1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740443674	JFANTDQOWBFUHH-UHFFFAOYSA-N	421.522	5.024	30	20	HKED	
C#Cc1ccc(C(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)nc1	741963771	IWAURSJHXWGUFY-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
Cc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)c(OC(F)F)cc1C	742345855	DDNURUABQKUXEO-YVLHZVERSA-N	402.466	5.413	30	20	HKED	
C#Cc1cccc(NC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1	743085274	XPMCHQUVAJHSHC-UHFFFAOYSA-N	411.383	5.196	30	20	HKED	
COc1cccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2Cl)c1	743102161	DFJXVCGXCCPWBO-JOCHJYFZSA-N	421.884	5.162	30	20	HKED	
Cc1ccc(F)c(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	743566029	LTTPXICCACJXAW-UWVGGRQHSA-N	402.379	5.330	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1C	747195981	DCFMXWZUGVURJE-MRXNPFEDSA-N	410.568	5.038	30	20	HKED	
COc1ccc(OCc2nc(/C=C3/CCc4cc(SC)ccc4C3=O)cs2)cc1	748149053	YHSONYDBBQZTBX-WJDWOHSUSA-N	423.559	5.665	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)OCc1ccc(OCC#N)cc1	750578823	SFQPYUQTSCOIEY-AWEZNQCLSA-N	412.898	5.015	30	20	HKED	
CCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)o1	752237986	MRCNUPFAYOLAMQ-POHAHGRESA-N	400.887	5.533	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)c(C(F)(F)F)c1	752997279	BPZINKSVJIZPJS-JTQLQIEISA-N	413.852	5.768	30	20	HKED	
N#Cc1ccccc1NC(=S)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1	753675893	LJTZGXXSDHSXCQ-KRWDZBQOSA-N	423.586	5.031	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)c(Cl)c1	754396036	PSGUCXSZOVZCAN-UHFFFAOYSA-N	411.244	5.337	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	755341361	UMPLOWDVHQVYOW-IAGOWNOFSA-N	423.513	5.147	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@@H](c2ccc(Br)cc2)C(F)(F)F)c(F)c1	755377530	BSRLVENVRGDTBK-AWEZNQCLSA-N	420.131	5.059	30	20	HKED	
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	755611091	IOSMQNQSIDTVKT-ADYSOMBNSA-N	423.881	5.651	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(F)cccc3C2)cc1F	757913881	MINMFVMZLLWCIQ-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccccc1OCc1ccccc1Cl	760793073	VSHCUHUKOYJNLD-UHFFFAOYSA-N	410.832	5.213	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)cc1	764831254	INIMXHLNJXYLKM-NHCUHLMSSA-N	411.288	5.321	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1	769305080	HOPAHUAPDQTQLT-APWZRJJASA-N	422.916	5.060	30	20	HKED	
CC1(C)CCCN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)[C@H]1C#N	769891398	CDEOHYDDDFQPCB-NSHDSACASA-N	409.144	5.253	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)nc1)c1nc2cc(C(F)(F)F)ccc2s1	772639087	HBVAVDCHRLPCCD-YJEWXARHSA-N	407.804	5.253	30	20	HKED	
N#C[C@@H](COC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)Cc1cccs1	772735081	FOCAGVREVVVMEK-NSHDSACASA-N	423.346	5.718	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)c1	772983441	KHZZRTAHYASLFW-GCJKJVERSA-N	408.546	5.092	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1	780170178	XYBUCOVASVOWHF-KRWDZBQOSA-N	409.445	5.552	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1C(F)F	780315160	OJYOOUSKEYFBQD-IBGZPJMESA-N	417.415	5.354	30	20	HKED	
CS/C=C\C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	783558086	VEEMOWQQUAVSTF-OTDNITJGSA-N	411.289	5.321	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1cnn(C(C)C)c1C	787187572	XEWOGFRFIQMIRZ-MDZDMXLPSA-N	400.885	5.014	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCc3cc(Br)ccc3C2=O)cn1	792904316	FFNKAUSRQSODAZ-MHWRWJLKSA-N	421.294	5.127	30	20	HKED	
COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C#N)cc2)c1	793312901	PVUCRXOYSZTSBK-UHFFFAOYSA-N	413.477	5.001	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CC(c4ccc(F)cc4)C3)n2)cc1	796776374	WJUAVZKFEDAJEG-UHYCVJNDSA-N	406.482	5.328	30	20	HKED	
O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)[C@@H](F)c1ccc(C(F)(F)F)cc1	801953780	WRUPIOUTMNNTFK-INIZCTEOSA-N	420.328	5.233	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNc2ccc(Br)c(C(F)(F)F)n2)c1	804457794	CXOZVRIMMGBYKR-GFCCVEGCSA-N	414.225	5.156	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(C2OCCO2)c1)c1ccc(-c2cccc(C#N)c2)cc1	808850903	LSTOTPXIYITFKH-KRWDZBQOSA-N	413.477	5.153	30	20	HKED	
C[C@H](NCc1ccc(F)cc1C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl	820846744	LBMIXJZBJQBVCC-QMMMGPOBSA-N	400.725	5.763	30	20	HKED	
C=CCCC[C@H](c1ccccc1)c1nc([C@H]2CCC(=O)N(CC3CCCC3)C2)no1	904833488	CHHFUZBDOSSUQW-FCHUYYIVSA-N	407.558	5.454	30	20	HKED	
Cc1ccc(C2=CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1	915352161	FWVWOTBNMUXHPS-AREMUKBSSA-N	407.517	5.972	30	20	HKED	
FC(F)(F)c1cccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1	916333584	PQMYPSDFSBCUAJ-UHFFFAOYSA-N	417.243	5.442	30	20	HKED	
Cc1ccc(Sc2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2[N+](=O)[O-])cc1	916409792	IYUDQRQUYTUAPX-UHFFFAOYSA-N	419.462	5.209	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3C(F)(F)F)n2)cc1	916974771	PQIMUWFOOLKMOC-HNNXBMFYSA-N	416.424	5.393	30	20	HKED	
Cc1cc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1Cl	917047162	SFJWTYXNYBIUSP-RISCZKNCSA-N	405.306	5.555	30	20	HKED	
Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	917749016	HFTHARQMOGTSFA-JQIJEIRASA-N	418.518	5.053	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl	920003554	LYQSMJBTOUWCHR-UHFFFAOYSA-N	414.248	5.335	30	20	HKED	
CCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H](C)c1cc2ccccc2o1	920087301	KCOAZGVNRVTAKR-RDJZCZTQSA-N	403.507	5.302	30	20	HKED	
Cc1cccc(CSCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	920806792	PVAVGWCLXQRKRD-OAHLLOKOSA-N	414.502	5.506	30	20	HKED	
CC(C)n1c(O)nc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc21	1544321303	QGYIJQRIPGJQPT-UHFFFAOYSA-N	412.449	5.239	30	20	HKED	
C[C@@H](NC(=O)Nc1cc2c(nc1O)CCCC2)c1ccc(-c2cccc(C#N)c2)cc1	1563035880	IOPJQZWVLHJIMO-MRXNPFEDSA-N	412.493	5.087	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccccc3)cc2)CCC1)C(F)(F)F	1792313074	KJOJLKJBUSCHKX-HNNXBMFYSA-N	416.443	5.043	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1	1792377943	RFVQOSDEGSLMET-XMMPIXPASA-N	414.496	5.060	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccccc2OC)cc1	10118189	UVEGEZXYNVEAKX-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
C[C@@H](c1nnc(SCc2ccc(C#N)cc2F)n1-c1ccccc1)N1CCCCC1	11222909	WTMJWYZMTYZOAD-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
Cc1cc(C)c(C#N)c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)n1	22360726	UCJFGPPEKSFRLL-QHCPKHFHSA-N	419.525	5.049	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1cccc(COCc2ccccc2)c1	46150909	SORYLVPGHPBIAW-UHFFFAOYSA-N	406.551	5.363	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)s2)c(C)c1	61111921	MBTMPUOCBUIKGG-UHFFFAOYSA-N	416.531	5.674	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	62904181	WUWYRWHVUZAQOP-UHFFFAOYSA-N	412.518	5.096	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	63388387	KSHMYXNPKJTYEV-UHFFFAOYSA-N	417.465	5.394	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2C#N)C1	64868314	IABOHZFGCNMJGY-NSHDSACASA-N	424.507	5.029	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1	65992634	WLYSIDQCOINASM-UHFFFAOYSA-N	411.505	5.201	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cc2)cc1	66037425	NOZZVIFVIHOZDN-UHFFFAOYSA-N	411.486	5.655	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCSc1ccc(F)cc1	78714865	RIOVBGKFGTVKER-HNNXBMFYSA-N	403.548	5.381	30	20	HKED	
N#C[C@@H](C(=O)CS[C@H]1CCCc2ccccc21)c1nc(-c2ccccc2)cs1	109144856	PFIIXUKDHVOYDT-UGKGYDQZSA-N	404.560	5.797	30	20	HKED	
Cc1cccc2nc(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH]c12	426141049	VCYCTGCYSJZMON-UHFFFAOYSA-N	424.504	5.088	30	20	HKED	
C=CCN(C(=O)c1ccnn1C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	428799735	BFIHSMBCJYRDDW-UHFFFAOYSA-N	421.353	5.727	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1	433013727	YPWFDWFXVNEIBU-NRFANRHFSA-N	419.525	5.081	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1	433027532	LGWVPJHBTYFQLN-JOCHJYFZSA-N	404.539	5.352	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc3c(ccn3Cc3ccccc3)c2)nc2ccccc21	433099885	CAIPUCCLVXEQPV-OAQYLSRUSA-N	404.473	5.066	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3Oc3cccnc3)on2)c1	436437647	YXVHFDWRAPNPGS-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1	439662140	PTKDBZCEMZJEFN-MRXNPFEDSA-N	419.456	5.327	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1	442102320	KLJFECRVZSFRLT-KRWDZBQOSA-N	415.518	5.297	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C#N)c(Cl)c3)s2)c(F)c1	443469108	WDMMSOVSQXHVCM-UHFFFAOYSA-N	401.850	5.044	30	20	HKED	
CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	444368692	YCJFIPUZZCLDFQ-HYBUGGRVSA-N	419.500	5.076	30	20	HKED	
COc1cnccc1-c1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	445635879	CSAUCUXPACVJIF-UHFFFAOYSA-N	404.813	5.125	30	20	HKED	
COc1cc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC	445772591	IAHGBOWETMYEDR-UHFFFAOYSA-N	416.477	5.024	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cc(Cl)cn1C	467463106	GYASUCBWCOESPE-UHFFFAOYSA-N	422.916	5.102	30	20	HKED	
CC(=O)Nc1cccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1C	468100644	BXWZWRBOTSSRGH-UHFFFAOYSA-N	415.468	5.120	30	20	HKED	
CCC(=O)c1ccc(Cl)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1	471407928	WURCBQQVSKTZCQ-UHFFFAOYSA-N	408.841	5.229	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1	475580549	LCUBALHQAFKLML-UHFFFAOYSA-N	424.589	5.177	30	20	HKED	
C[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cn(C)c2ccccc12	475618253	APNSIKCTSQSTCK-KRWDZBQOSA-N	422.488	5.044	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CSc1ccc(C#N)cc1	483465966	PZIDLRTYMWYCST-UHFFFAOYSA-N	422.481	5.538	30	20	HKED	
C=CCN(CC=C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	483674323	XAXREKPZQLWSKO-OBGWFSINSA-N	419.506	5.336	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(C#N)c1	485922356	FYKJCNOYEXOGOX-OAHLLOKOSA-N	418.884	5.598	30	20	HKED	
N#CCN(C(=O)c1ccc(Oc2cccc(Br)c2)cc1)c1ccccc1	487037642	RFEXUSGDYZPZMD-UHFFFAOYSA-N	407.267	5.412	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](CCCC#N)c1ccccc1)O[C@@H](C)C2	487456602	VBKANDRDRLSDTG-RBQRNVLBSA-N	418.537	5.064	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12)c1ccccc1	487596987	TZSVOWJASMWUMM-GIWBLDEGSA-N	423.354	5.204	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1	487709241	CMQCCQRCMAJNTI-UHFFFAOYSA-N	413.955	5.131	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	488695873	ALAIXNONLBSNSK-SFHVURJKSA-N	408.885	5.874	30	20	HKED	
C=CCn1c(SCC(=O)c2cc(F)ccc2F)nnc1-c1cccc(Cl)c1	489643917	VEXXOZZLHPEQSC-UHFFFAOYSA-N	405.857	5.038	30	20	HKED	
C=CCn1cccc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	490077177	QHJBSALNLQFLMA-UHFFFAOYSA-N	400.309	5.219	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nnc(-c3cccc(Cl)c3)o2)c1	492208563	JDELRBXGABKTML-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3[C@H]4c5ccccc5C[C@H]43)c2)cc1	494245605	SSVSZTHEOLWJIW-NXCFDTQHSA-N	423.516	5.039	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	500372761	WMGCOPBSEUAIIQ-SZOBAZRNSA-N	420.578	5.111	30	20	HKED	
C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	503145745	BOTLOWXLDLHUPW-CYFREDJKSA-N	421.541	5.048	30	20	HKED	
N#CCCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	505059465	AVFILLBDQKZPFV-UHFFFAOYSA-N	420.516	5.630	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1F	505832609	MBDOGNTZTFGJKK-NRFANRHFSA-N	409.505	5.102	30	20	HKED	
CCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC	505934107	TYEDBFQRHNLUPX-OAHLLOKOSA-N	413.688	5.049	30	20	HKED	
CCN(Cc1cc(OC)ccc1OCc1ccccn1)[C@H](C)c1ccc(C#N)cc1	508604077	LQDVAHJKHXOTMT-LJQANCHMSA-N	401.510	5.124	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F	511027020	GZGUHFKWUUNIDV-UHFFFAOYSA-N	405.420	5.252	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)c(CC)nc3ccccc23)cc1	511748695	SDTQSROAKUTFQT-UHFFFAOYSA-N	413.521	5.172	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C(C)C)n1	513261259	JLYDMXUVTBFUCH-UHFFFAOYSA-N	406.873	5.478	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccc2ccccc2c1	518133347	KNTLLOWONMONKT-ROUUACIJSA-N	420.603	6.524	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1	521714606	ODKABSJTWPJZET-UHFFFAOYSA-N	420.513	5.273	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2)c1	523798408	NZFZPBMEGADCAM-FQEVSTJZSA-N	421.378	5.041	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)cc2F)c1	525032315	ZFAZWEOUKSHWKJ-MOPGFXCFSA-N	422.406	5.297	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)n1	525327183	CMSJXFOTJNLTBO-KRWDZBQOSA-N	402.504	5.127	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1	525747683	HHKYRTMZJBIMLM-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
N#CCc1ccnc(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)c1	532434506	BPCOJWNXKAKZBX-UHFFFAOYSA-N	404.539	5.279	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1csc(CC)n1)c1ccc(C(F)(F)F)cc1	532761361	WQNAPBBTBHEOHZ-QGZVFWFLSA-N	411.493	5.573	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)NCc2ccc(C#N)cc2F)cc1OC	532990092	UWOQIDUKNYPYKN-QHCPKHFHSA-N	404.485	5.097	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H](CCCO)c2ccccc2)c1	534920343	NZJYDFYYJDUQAT-QFIPXVFZSA-N	420.896	5.248	30	20	HKED	
Cc1cc([C@H](NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C2CC2)ccc1F	536217906	OSGDFVCWFWEIPG-CQSZACIVSA-N	412.349	5.112	30	20	HKED	
Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccco2)cc1	538609389	HDXASSSYJOQAHG-UHFFFAOYSA-N	408.527	5.028	30	20	HKED	
Fc1ccc(-c2noc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)cc1	539422919	JKAYWOUJBOOMFJ-OAHLLOKOSA-N	419.300	5.288	30	20	HKED	
C=CCCC[C@H](C)NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1	540534240	KDTMPWBJSRLILY-AWEZNQCLSA-N	405.336	5.206	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1sc(C)c(C)c1C#N	543866684	WKKGOZQSBGORTG-UHFFFAOYSA-N	405.401	5.471	30	20	HKED	
Cn1cc(-c2ccc(F)c(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)cn1	543909493	DYYUQEGKQSEQNR-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
Cc1ccc(-c2nc(Cc3noc([C@H](C)Oc4ccccc4C#N)n3)cs2)cc1	546321291	UTCFFYNSRVEJCZ-HNNXBMFYSA-N	402.479	5.104	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	547416730	MKHDWTBKQGRAQB-NRFANRHFSA-N	410.445	5.317	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCC(=O)N(CCCC)[C@@H]2c2ccccc2OC)n1	556360608	AONQOEFOUMHDNK-WIYYLYMNSA-N	411.546	5.179	30	20	HKED	
C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@@H]1C	564624256	UNUAAIQURFQCHK-IBGZPJMESA-N	402.542	5.070	30	20	HKED	
O=S(=O)(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(C(F)F)cc1	574113768	LUZORIYMJILYCJ-UHFFFAOYSA-N	417.302	5.045	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1	574292310	SGNAUJIZDHDHTN-UHFFFAOYSA-N	412.320	5.706	30	20	HKED	
CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	581384698	ICWUCBWYHNLCKQ-DEOSSOPVSA-N	401.485	5.467	30	20	HKED	
COc1cc([C@@H](C)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)cn1	584798167	FUKQMYGBBRGOPC-MEBBXXQBSA-N	410.333	5.592	30	20	HKED	
COCC[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	585745438	UNADFDCPLCYTQV-BFUOFWGJSA-N	406.313	5.003	30	20	HKED	
C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@H]1CSC	589247521	XRBXIDNUNNHPOY-HXUWFJFHSA-N	420.582	5.042	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(Cc4ccccc4)CC3)cn2)c1	603691916	YBOANWUQKQUACC-UHFFFAOYSA-N	412.493	5.232	30	20	HKED	
COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc(C#Cc2cccs2)c1	603952296	LTGJOWRHIIFHCY-MRXNPFEDSA-N	421.543	5.054	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4cnco4)cc3)cc2Cl)cc1	604026383	FJXHJFZHJXPAAC-UHFFFAOYSA-N	415.836	5.911	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(SCc2cccnc2)cc1	604163840	CDHFYWIDNARKFE-HSZRJFAPSA-N	417.534	5.288	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)n2)cc1	604528050	GQHBWBQACDTJQE-SJORKVTESA-N	424.323	5.186	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209047	ULCHSHXRGUSOQH-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c(F)c1	609240041	RLFUUHYBEGOQFX-UHFFFAOYSA-N	420.391	5.161	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1	609375538	MQADBAQVPUCQQS-UHFFFAOYSA-N	421.572	6.283	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C#N)c2ccccc2Br)c1	609593497	XTKNXZBRXZBDJA-DNVCBOLYSA-N	415.331	5.029	30	20	HKED	
Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609636152	WWYLJQZXGZQKIX-QFIPXVFZSA-N	412.493	5.293	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNc1cc(C#N)c2ccccc2n1	609894673	AMDUXELPMFRGNY-UHFFFAOYSA-N	410.477	5.695	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)c2)cc1	609987092	AAXNCGBSENXNGI-RCZVLFRGSA-N	411.505	5.200	30	20	HKED	
N#Cc1c[nH]ccc1=NC(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	610179916	QLQLMXOJCQSKSC-UHFFFAOYSA-N	414.317	5.227	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	610604290	MELBKNLHOOLOHT-CALCHBBNSA-N	412.333	5.038	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C1CC1	611168235	PSBCSNIIMTZGIQ-OAHLLOKOSA-N	401.470	5.043	30	20	HKED	
N#Cc1ccc(CNCc2ccc(OC(F)(F)F)c(Br)c2)cc1Cl	619748925	YTOXUBJXMYFMDG-UHFFFAOYSA-N	419.628	5.163	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	642157225	PARWQHDRZUVAJA-GHMZBOCLSA-N	407.276	5.345	30	20	HKED	
C=CCC1(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)CCC1	682896234	KBXXYKWHFNBQIS-HSZRJFAPSA-N	423.601	5.448	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2cccc(C)c2)c1	726572991	UJGBKTPBWNTDEC-UHFFFAOYSA-O	411.506	5.333	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OCCCC#N)c3)c12	726743388	FVKOHZJCEZNCAF-BUHFOSPRSA-N	424.504	5.362	30	20	HKED	
COc1ccc(C[C@H](NCc2ccc(O[C@H](C)C#N)cc2)c2ccc(OC)cc2)cc1	728713164	QCNWJYAZTZLGMX-BCHFMIIMSA-N	416.521	5.068	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2sccc2s1	731074110	NXDFTVGABIZTQI-GFCCVEGCSA-N	416.549	5.010	30	20	HKED	
CN(C)C(=O)Sc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	731419382	XZOGFDNMCSVFBC-UHFFFAOYSA-N	417.490	5.377	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCc2ccccc2C1)c1nc(-c2c(F)cccc2F)cs1	732598264	LKDXXHIAJMVMNG-YOEHRIQHSA-N	408.473	5.460	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1)c1ccncc1	734666594	FFRRNGFNRGTTDS-VQTJNVASSA-N	405.464	5.804	30	20	HKED	
CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	735567934	XTOOPZSYZRAOKB-FTJBHMTQSA-N	424.548	5.777	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)n1	735791854	CMDVYBXHFGWXIL-KRWDZBQOSA-N	418.547	5.419	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)COc2cccc(C#N)c2)C(C)C)cc1	741638581	BGUSQTBAVMHHDT-UHFFFAOYSA-N	414.505	5.050	30	20	HKED	
COc1ccc([C@H](Nc2snc(Cl)c2C#N)c2ccccc2Cl)c(OC)c1	742426689	NNNKIASIXUKXKW-QGZVFWFLSA-N	420.321	5.540	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cnc(-c4ccccc4)[nH]2)CC3)cc1	742434443	IXHMUMBTNOTJPE-LGMDPLHJSA-N	413.502	5.421	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(Cl)c1	744029832	WWVZPJVNKRVHQL-OXQOHEQNSA-N	418.880	5.583	30	20	HKED	
Cn1cc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)cn1	744034123	ADPKMLWBEHYBGD-LJQANCHMSA-N	418.909	5.354	30	20	HKED	
Cc1cc2occ(CC(=O)OCc3nnc(-c4cccc(C#N)c4)o3)c2cc1C(C)C	744499856	DSJVVIFGHHNHMH-UHFFFAOYSA-N	415.449	5.072	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1	746346636	STIYPRNCRHACTN-JYRVWZFOSA-N	421.928	5.883	30	20	HKED	
CN(C(=O)COc1ccc(C2SCCCS2)cc1)c1cc(Cl)ccc1C#N	751895129	YZDIASHOLXQSCT-UHFFFAOYSA-N	418.971	5.122	30	20	HKED	
C[C@@H](OC(=O)c1ncccc1OCC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	754365409	FDUURUWZASDXJB-SECBINFHSA-N	411.273	5.099	30	20	HKED	
C[C@@H](OC(=O)c1cn(C)nc1C(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	755076027	QUBVLEPYJKMWSY-SSDOTTSWSA-N	416.268	5.313	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(OCc2ccccc2)c1	765314905	BTJICGOGJAJQMJ-QGZVFWFLSA-N	419.456	5.190	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccccc1Br)c1nc2cc(F)ccc2s1	766352298	WKUAFEVDPZEABJ-AWEZNQCLSA-N	417.303	5.397	30	20	HKED	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(O[C@@H](C)C#N)cc1	768181515	PSEMCGBOVPYKAH-HNNXBMFYSA-N	420.340	5.135	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	780676888	AAOZLTCMJADTPY-ROUUACIJSA-N	415.493	5.536	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1	797567144	DMLMDLSLHAOLGE-STIKNRRDSA-N	416.546	5.866	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	802042500	RUQJHSDEJUHCCT-YZZKKUAISA-N	418.537	5.490	30	20	HKED	
N#CC1(CCCNc2cc(Cl)ccc2C(=O)c2ccc(F)cc2)CCOCC1	809194781	GBSVENZYKLRZCC-UHFFFAOYSA-N	400.881	5.223	30	20	HKED	
C[C@@H](N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1	816566738	DWOJIEUOQJPXES-QZTJIDSGSA-N	405.542	5.131	30	20	HKED	
COc1cccc(-c2nc(CON=Cc3ccc(Br)cc3)cs2)c1	836714217	PMCNZWUCVHDSIZ-UHFFFAOYSA-N	403.301	5.132	30	20	HKED	
C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1	844255438	BYGBFXLDEQLAQA-QGOAFFKASA-N	411.914	5.401	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1	915124310	FPKLORMPWGQCCA-GOSISDBHSA-N	412.345	6.458	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	916950959	VSUPFLQEMTZXTQ-AWEZNQCLSA-N	419.289	5.178	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Sc3ccccc3Cl)n2)cc1	916976754	GNKGSACEFYRZRN-HOCLYGCPSA-N	412.967	6.129	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917042691	DGPYQCQXZKZTPM-HKUYNNGSSA-N	421.909	5.090	30	20	HKED	
COc1cccc(COc2cccc(Cl)c2C=Nn2cnnc2-c2ccccc2)c1	917540771	CJOASBMOFUIFAP-UHFFFAOYSA-N	418.884	5.068	30	20	HKED	
CN(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc2ccccc2s1	919747011	XDYOABRJPIVGBN-HXUWFJFHSA-N	412.518	5.027	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Br)c1	920102588	WZTOXIWJJKFQNN-DOOKAGJSSA-N	421.294	5.152	30	20	HKED	
CC(C)(C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920141065	HBEGJVRXPFOHKK-SFHVURJKSA-N	415.518	5.235	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1	920806140	VOXJIUZUCRGSSD-DOMZBBRYSA-N	400.425	5.597	30	20	HKED	
COc1cc(C(=O)N(CCC#N)c2ccc(C)cc2)cc(Cl)c1OCC(C)C	920970682	MKUIYWKTQMDKJC-UHFFFAOYSA-N	400.906	5.252	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C)n3)cc2)CCC1	1787075800	JIARTFXITWXQEQ-UHFFFAOYSA-N	423.532	5.269	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)C2	1798592827	KEKMEJQLNLRSAI-OGXDUAGGSA-N	414.634	5.224	30	20	HKED	
C[C@H](C#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1	6039384	COINDMACLRHFDC-CYBMUJFWSA-N	409.565	5.173	30	20	HKED	
Cc1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c(C#N)c1C	24590175	OIJAVVYJGGPEGT-VIFPVBQESA-N	413.724	5.059	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC	29152134	REPIUSUBQPMWQA-UHFFFAOYSA-N	400.906	5.581	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	105676308	ZQJRCMOBIHVBHC-UHFFFAOYSA-N	422.312	5.099	30	20	HKED	
CCOc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	303318846	UPIQCDKCRBGNAK-UHFFFAOYSA-N	420.509	5.318	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1	303447889	IXQJBQISIVRQSW-COXVUDFISA-N	404.457	5.842	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(Cc2ccccc2F)n1	303658822	GWZZQWRZVWLRGI-CQSZACIVSA-N	411.527	5.520	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)sc2ccc(C#N)cc12	428137435	FNEGVKDYLLZIHM-UHFFFAOYSA-N	403.507	5.006	30	20	HKED	
CC(C)c1nc(C2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)no1	428740300	LOXVTUVQMKJWRS-UHFFFAOYSA-N	414.553	5.272	30	20	HKED	
Cc1c(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)sc2ccc(C#N)cc12	429890579	QMCBQKARWFCUIK-UHFFFAOYSA-N	412.461	5.043	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)c1cccc(SCC#N)c1	432091961	AGDPOOXYFOKGJE-UHFFFAOYSA-N	420.559	5.855	30	20	HKED	
CCN(Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)[C@H](C)c1ccc(C#N)cc1	434724923	GYAPRWSKMUGHET-GOSISDBHSA-N	418.566	5.088	30	20	HKED	
Cc1oc(C#N)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	435769645	LEFOVIFVGHIUGW-AWEZNQCLSA-N	402.262	5.380	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)c(O)c(Cl)c1	436983306	JYOOLOSSHPSVQW-UHFFFAOYSA-N	410.832	5.196	30	20	HKED	
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	437495300	WYXCKIQMZHLXMH-UHFFFAOYSA-N	417.440	5.336	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1	437912840	SPQHNPAXCUPJRC-OAHLLOKOSA-N	415.459	6.264	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	438055184	XRLRFCAMYKVSQI-LMNJBCLMSA-N	404.539	5.385	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)on1	438663641	FGMPUIJVISVOBO-SFHVURJKSA-N	406.417	5.155	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nccs1	438670993	MHEVUVFOXHGGHH-NRFANRHFSA-N	410.474	5.393	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)CC1	440976957	WZPWLVNRLPCKTH-UHFFFAOYSA-N	423.538	5.060	30	20	HKED	
COc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1OC1CCCC1	443884093	WSZXTBKWJXEXJS-UHFFFAOYSA-N	404.388	5.159	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444835354	JDQYXBYLDMABOF-INIZCTEOSA-N	415.337	5.701	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1c(F)cc(Br)cc1F	445795368	UWABUVCREDBCAT-JTQLQIEISA-N	411.271	5.374	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1cccs1	460372464	BVWSYDFMVFDMAE-SJLPKXTDSA-N	412.534	5.536	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccsc1	460373012	CVWINZAQKPLTPV-QFBILLFUSA-N	412.534	5.536	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	460382489	FXNZMASPLBUGFA-GOSISDBHSA-N	420.479	5.089	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3sccc3Br)o2)cc1	463437624	SBLPWOAKCXPFNR-UHFFFAOYSA-N	409.330	5.418	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)c1cccc(C#N)c1	464275917	PNNYURCXMNPKBJ-CQSZACIVSA-N	420.900	5.661	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cc1	464914922	GJPZRFIUTSDAMP-UHFFFAOYSA-N	404.510	5.223	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccccc2Sc2ccccc2C#N)C1	467752750	HOLLDGVBTNCMEE-MNAPGUCWSA-N	420.578	5.111	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C	468337077	QPIMZILPHDPUQP-FQEVSTJZSA-N	407.558	5.603	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(Oc2ccc(F)cc2F)c1	469072048	PUWXZQHCOVGHBI-TZIWHRDSSA-N	419.431	5.064	30	20	HKED	
C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cccc(N2CCCC2)c1	469586340	DMKYGESRQZSYSS-IBGZPJMESA-N	400.526	5.036	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(C(C)(C)C)o2)nnc1-c1ccc(Cl)cc1	476455732	DZBVEJSTRURDOG-ZDUSSCGKSA-N	402.951	5.923	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)nc1	477824393	MAQDVZISKXJGQL-FQEVSTJZSA-N	422.469	5.359	30	20	HKED	
CC(C)(CCC#N)CNC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1	478236705	URYWXPBGLPVSIR-UHFFFAOYSA-N	418.585	5.079	30	20	HKED	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	478481427	PRKKWXZZBJIPBS-UHFFFAOYSA-N	408.461	5.013	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)ccc21	483221442	RIXWCFNEVBHFPW-CQSZACIVSA-N	423.398	5.069	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccc4cccnc34)cc2Cl)cc1	491025900	DTORTIMUOHRNPY-UHFFFAOYSA-N	413.864	5.733	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc2ccccc2n1CC(F)(F)F	495106499	VZUHBBVNHDHQSE-UHFFFAOYSA-N	401.388	5.115	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)C2CC2)cc1	497530162	QEFOVCPMQGPNLS-UHFFFAOYSA-N	405.832	5.052	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	499889148	UBBYBOODOCMRCF-QFIPXVFZSA-N	408.860	5.129	30	20	HKED	
CC[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1OC(F)F	502304662	JTJSRMTXFVOTEI-HXUWFJFHSA-N	411.452	5.110	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	505039427	ONLGWBXTKCZUEZ-HXUWFJFHSA-N	404.432	5.429	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)c1nc(-c2c(F)cccc2F)cs1	505437677	FZGTWHVWEXPBGC-JTQLQIEISA-N	424.259	5.641	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)c3c(C)noc3n2)c(C)o1	505794753	FQKQHCUUBCSIFM-LJQANCHMSA-N	420.856	5.056	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	505798148	YSGYXTYONBXQIN-HNNXBMFYSA-N	420.683	5.605	30	20	HKED	
N#C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1	505965606	KAABYYRAVMDXLS-GOSISDBHSA-N	413.399	5.064	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	507794007	YCSSCSBGYLHRMX-UHFFFAOYSA-N	421.762	5.326	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1csc(C)n1	508962896	RNJCQWJIVWWKLR-MRXNPFEDSA-N	419.554	5.159	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1	510458485	MNCAUBYRKORABP-UHFFFAOYSA-N	420.557	5.265	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510695206	BHPHKWDAEJQNCD-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	511321789	KIAGBULCPBWREV-XMMPIXPASA-N	413.521	5.995	30	20	HKED	
COc1cccc([C@H](N[C@H](C)c2ccc(C#N)cc2F)c2cc(F)ccc2OC)c1	512668781	WOTCJONCMSVMEN-MYYSRTQBSA-N	408.448	5.294	30	20	HKED	
N#Cc1c(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cn2ccccc12	514488899	VXLQBORZTROREH-UHFFFAOYSA-N	411.490	5.003	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(Br)cc2Cl)cc1	519485240	MIZAWVUZPJXIIY-KRWDZBQOSA-N	405.723	5.395	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1	520939441	WPYHROIBWSILSE-AWEZNQCLSA-N	423.460	5.643	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c1	520954673	BNEXULONXUAAQP-SANMLTNESA-N	416.590	6.189	30	20	HKED	
COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NC[C@H](C)C#N)cc1	521923768	JJRVFYCVMXKXSP-SQFNAUOLSA-N	411.505	5.010	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)CCc2ccc(C#N)cc2)c1C	522743103	AXATWVCJTURNJI-UHFFFAOYSA-N	413.308	5.239	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	524488924	FSXXCMMCTBHTEC-UHFFFAOYSA-N	413.502	5.395	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1	537413851	ZDUVTUVTPDJSQA-SFHVURJKSA-N	414.509	5.174	30	20	HKED	
CN(C)c1nc2sc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2s1	538400140	IOXRETJUUIXUPU-UHFFFAOYSA-N	410.549	5.276	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1ccc(I)cc1	539239357	MJQSCRFPWZIZBV-CYBMUJFWSA-N	408.308	5.298	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1	539335253	ARNADUUROPPRIJ-GOSISDBHSA-N	403.551	5.316	30	20	HKED	
COc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)cc1CN1CCCCC1	540726247	NOKDQPHDYXBRTG-HXUWFJFHSA-N	407.558	5.537	30	20	HKED	
Cc1occc1-c1nnc(SCCCC2(C#N)CCOCC2)n1Cc1ccccc1	540769050	JDAOWJOFVXUXFW-UHFFFAOYSA-N	422.554	5.088	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542065844	QLVCGNCKZDKBFH-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
Cc1cccc2[nH]cc(Cc3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)c12	547083038	HIQGMPXKZXDDLY-UHFFFAOYSA-N	407.433	5.176	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	554454089	NJTQHCXDYNPSGZ-UHFFFAOYSA-N	421.394	5.100	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	557086812	NEJXZMQYJBTVPV-UHFFFAOYSA-N	419.884	5.170	30	20	HKED	
COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	558342639	WLXZQAFYHSPUCF-WAOWUJCRSA-N	423.582	6.095	30	20	HKED	
N#CCc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	569032443	IVZGUAHWTOFVRR-UHFFFAOYSA-N	416.477	6.183	30	20	HKED	
CC(C)(C)OC(=O)Cc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	581703951	JPUFVAOUIYNUQK-OAQYLSRUSA-N	407.514	5.127	30	20	HKED	
CC(C)C[C@@H](C#N)NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	588952567	SWIXRMKLUNDSPI-LBPRGKRZSA-N	410.370	5.449	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	591519822	QWSUMTMIVCKCNB-JIGDXULJSA-N	408.264	5.135	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604433982	PMAVMFPUSBGGBR-AWEZNQCLSA-N	408.408	5.249	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)c(F)c1	609262672	USHHXFOLSGMIIB-NRFANRHFSA-N	410.901	5.501	30	20	HKED	
N#CCc1ccc(NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)cc1	609296959	OBHZZNLYGLBNSA-OAQYLSRUSA-N	411.288	5.818	30	20	HKED	
CC(C)c1ccc(C(C)(C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	609385605	BZCKETGJPSQVMA-GOSISDBHSA-N	409.599	5.668	30	20	HKED	
Cc1c(Cl)ccc2c1N(C(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)CCC2	609870564	JDLDCAOXZUUTCF-UHFFFAOYSA-N	403.869	5.300	30	20	HKED	
C[C@@H](NC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cccc(C#N)c1	610400543	SLYZCGKKXIYTJN-KVRYQGLBSA-N	407.517	5.216	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(Br)c3ccccc23)c(Cl)c1	611351681	FFIIIHJHFLFFOK-UHFFFAOYSA-N	420.093	6.033	30	20	HKED	
N#CCn1c(-c2nc(Cc3nc4cc(Cl)ccc4s3)no2)cc2ccccc21	612884614	QRULEGHJCWRYAV-UHFFFAOYSA-N	405.870	5.069	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc2cc(Cl)ccc2s1	613407345	RDZXTWWETDFFDN-HNNXBMFYSA-N	421.865	5.285	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2)cs1	618798615	ZTDIRAOQGSEVDB-LHSJRXKWSA-N	402.523	5.038	30	20	HKED	
C=CCn1c(SCc2ccncc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	643093333	YZPSHRPKLRTYFF-UHFFFAOYSA-N	423.538	5.446	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	679522882	GUSKBBGFXCFUQH-WCBMZHEXSA-N	407.276	5.527	30	20	HKED	
Cc1csc(Nc2cccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)n1	729334992	SIVMLGHTLCSEHS-UHFFFAOYSA-N	423.567	5.118	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2F)c2ccc(F)cc2)cc1Cl	729821943	DEZUDEXHCBLLRW-UHFFFAOYSA-N	413.880	5.893	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	730920366	LFAUYJLZIZAPCU-WXFUMESZSA-N	410.517	5.416	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1	731956803	KPCRTLIBCFEPMO-UHFFFAOYSA-N	415.474	5.172	30	20	HKED	
CCN(c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)C(C)C	731957088	DWPWPKAFBMXKGC-UHFFFAOYSA-N	400.482	5.233	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)N[C@@H](C#N)c3ccccc3Br)sc21	733266360	HOMYZARZQWHPLB-INIZCTEOSA-N	424.323	5.150	30	20	HKED	
C#CCN(C(=O)Nc1c(C)cccc1C)[C@@H]1CCOc2ccc(Br)cc21	733614621	KAHKMLDZDYNZRK-GOSISDBHSA-N	413.315	5.057	30	20	HKED	
C#CC[C@H](OC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1ccccn1	733691253	DQVPOIBPEUHIIB-DEOSSOPVSA-N	424.504	5.304	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1c(C)nn(-c2ccccc2)c1C	746485932	QVTRIBVRYRWWEZ-UHFFFAOYSA-N	408.720	5.680	30	20	HKED	
N#Cc1ccc(/C=C(\C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)s1	748997710	GVSVCEFSRCRJOF-WQRHYEAKSA-N	418.909	5.006	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(CC)[C@@H](CC)Cc2ccccc2)cc1C#N	752306200	VPAMIJNZNPGVSN-FQEVSTJZSA-N	408.502	5.002	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(F)cc1F	752482430	HRDPEDMANMJKDW-ACJLOTCBSA-N	407.445	5.330	30	20	HKED	
CC(=O)Nc1ccc(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F	764850717	MKPIWKKYHNUWJI-HNNXBMFYSA-N	423.284	5.263	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc(OCC#N)cc1	766332255	ZDXROPVOPMXHTJ-OAHLLOKOSA-N	423.875	5.807	30	20	HKED	
C=CC[C@H](NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1)c1ccncc1	769509539	JWGUZGXBBBVQLP-PMACEKPBSA-N	403.448	5.654	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)c(C)c1	769545133	UWRWBPQXLVIKJD-IBGZPJMESA-N	417.509	5.054	30	20	HKED	
CC(C)(C)OC(=O)NCCCc1nc(-c2cn(CCC#N)c3ccccc23)cs1	772177366	VBZQVDNDZPNSKU-UHFFFAOYSA-N	410.543	5.136	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3ccccc3C)cc2)cc1	772970631	FWSUFZNHMMLWFS-NRFANRHFSA-N	416.502	5.116	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3c(Br)cccc32)c1	772986403	WSSKEJRQBZJAHH-OXQOHEQNSA-N	415.331	5.134	30	20	HKED	
N#C[C@@H]1C(CN[C@H](CC2CCCC2)c2ccccc2)=CC(=O)n2c1nc1ccccc12	775550686	LGKJAWZBQWVWHI-FYYLOGMGSA-N	410.521	5.135	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCc2c(Cl)cccc21	776077877	RPDGOODTWOXREA-HOTGVXAUSA-N	420.868	5.032	30	20	HKED	
C#CCOc1ccccc1NC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C	776093811	YPCAEAJRVJRZBY-QGZVFWFLSA-N	405.523	5.355	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCC3(CC#N)CC3)c3cnn(C(C)C)c3n2)c(C)s1	777328106	VOLXMMIWKBGTQT-UHFFFAOYSA-N	408.527	5.208	30	20	HKED	
COc1ccc(O)cc1C(=O)/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1	779711514	PRQAZKJUYYSFOI-LUAWRHEFSA-N	407.853	5.203	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	780678016	JWCNXBKKZVRSMX-BEFAXECRSA-N	417.431	5.755	30	20	HKED	
C=CCn1c(SCc2cccc(SC(F)(F)F)c2)nnc1-c1cccnc1	781379865	XXPDSSGUHNZSSO-UHFFFAOYSA-N	408.474	5.430	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3nccc(C)c3c2C)cc1	786316542	SUUBOOKURVSMIG-UGSOOPFHSA-N	405.523	5.388	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nc(Cc2ccc(Cl)cc2)no1	795991906	PKAQHBDPHJLDKW-YJBOKZPZSA-N	409.873	5.006	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)CCCCCC#N)cc3)sc2c1	805696613	GSNLTODOWAGKDZ-UHFFFAOYSA-N	421.522	5.228	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	904507476	XRJZYHRMBQCDKA-UHFFFAOYSA-N	416.412	5.249	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1Cc1ccccc1	915282692	RPFCZXJDQSUAPP-DEOSSOPVSA-N	420.516	5.402	30	20	HKED	
N#CCOc1cccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1	915635634	COUYNJHFMUPEJJ-APSNUPSMSA-N	421.330	5.302	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2ccccc2Cl)o1	916936288	GMFCHWHJVMEXCG-ZDUSSCGKSA-N	417.223	5.354	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2ccc(C)cc2)sc1=S	917457260	DGWXJAGNAKQHMQ-UHFFFAOYSA-N	409.584	5.467	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12	917827926	UVLNTKYHTMPFAK-UHFFFAOYSA-N	409.489	5.134	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1	918033580	COHTZVYXDHXUES-LOSJGSFVSA-N	413.496	5.720	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccsc3)n2)COc2c(Br)cccc21	920066429	BJMLRTQKLNPIJN-WDZFZDKYSA-N	404.310	5.293	30	20	HKED	
N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CCC4CCC4)cc3)CCC2)c1	1786262590	GSBVOBYBOJEQGR-UHFFFAOYSA-N	419.500	5.025	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@@H]54)CCC3)cc2)CC1	1787880583	VEBBVMMARRDLEM-BVYCBKJFSA-N	419.569	5.031	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC)nc3)CCC2)cc1	1789452891	DHGSHJONJKYFMO-QHCPKHFHSA-N	417.553	5.160	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1	1820978048	FABRSARJZMUXDP-FXAWDEMLSA-N	414.594	5.221	30	20	HKED	
N#CCC[C@H](C#N)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1	7203690	LREFFQDWJVKOHL-QGZVFWFLSA-N	407.930	5.182	30	20	HKED	
O/C(=N\c1nnc(SCc2ccccc2)s1)c1cc2c(F)cccc2s1	24025068	QCEFTKHLNWYYNF-UHFFFAOYSA-N	401.513	5.821	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1	58530653	MYUCYTGMXGBIER-UHFFFAOYSA-N	412.493	5.095	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Oc2ccncc2)cc1	60265628	OWZFPONMYJLXEP-UHFFFAOYSA-N	423.497	6.149	30	20	HKED	
CCOc1cccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	63253876	GFNYWKVTPYELTB-GOSISDBHSA-N	416.546	5.740	30	20	HKED	
C=CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1cccc(C#N)c1	63300736	VUUZUDAWKDNAQN-UHFFFAOYSA-N	408.716	5.145	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	63400533	AXBUIDCBRRTWSL-DEOSSOPVSA-N	415.924	5.699	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)N1CCc2ccccc2C1	63641503	SLHOOVUAJVEODW-IBGZPJMESA-N	411.505	5.044	30	20	HKED	
CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2ccccc2CC)n1	71858146	NJJDJGQMOJRUIU-UHFFFAOYSA-N	421.522	5.239	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2nc(-c3ccco3)cs2)c1	72021054	XRALZTFPAUYSNF-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1cccc(Cl)c1Cl	78718938	MVOMJDMKPQYYHP-YCPHGPKFSA-N	424.125	5.240	30	20	HKED	
COc1ccc(CCCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	108441639	LRJDJKDRUQMLJP-UHFFFAOYSA-N	402.519	5.081	30	20	HKED	
COc1ccc(CNCc2ccc(-c3csc(C)n3)cc2)cc1OCCCC#N	147203980	CDBXPIBKLPFRKD-UHFFFAOYSA-N	407.539	5.100	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC2(c3ccc(F)cc3)CCOCC2)c1	237830797	QPWHGZUEIRGZMF-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1SC(F)F	303366306	RGWXXHGKLOUFNH-ZDUSSCGKSA-N	407.511	5.446	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(OCc2ccccc2)cc1	303828068	AZGYTTMJHZCHAR-BKULYWANSA-N	418.443	5.028	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1	409652009	KNFFRNRBCFAQFZ-MRXNPFEDSA-N	406.935	5.179	30	20	HKED	
Cc1c(-c2nc([C@H](NC(=O)c3ccccc3)C(C)C)no2)sc2ccc(C#N)cc12	426593397	NKMYKRJBFAFTHP-LJQANCHMSA-N	416.506	5.259	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	429720645	FLDHBQRXNZGUTG-MNOVXSKESA-N	419.478	5.051	30	20	HKED	
COc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1Br	432982123	BFSFIABANVTELF-KRWDZBQOSA-N	402.292	5.014	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NCc1cn(CCC#N)nc1-c1ccncc1	435125011	BUAUUZUGBPEVRO-FQEVSTJZSA-N	414.557	5.158	30	20	HKED	
CN(Cc1cn(CCC#N)nc1-c1ccncc1)C1c2ccccc2-c2ccccc21	435125582	XSYNRPPLRDVTCB-UHFFFAOYSA-N	405.505	5.061	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	435364732	QHDYXBONAOGXQI-CYBMUJFWSA-N	416.934	5.080	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl	435487031	NKXHMOPMHPJXFM-SNVBAGLBSA-N	419.330	5.185	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	435772057	OFQXEIOJCKRDID-INIZCTEOSA-N	422.271	5.995	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccccc2)co1	436253617	QFIJUDFQSGLKCM-HNNXBMFYSA-N	409.536	5.467	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCc1ccc2ccccc2c1	437417626	IEHNYEQDHWAJKV-GOSISDBHSA-N	420.603	6.148	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1	438090553	BXYWHONOOMIJLR-QUCCMNQESA-N	402.523	5.477	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccc(Br)c3)o2)c(Cl)c1	438887981	AZUNFPHYNMDLCJ-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
C=CCC[C@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)c1ccc(C(F)(F)F)cc1	441591618	PQZFHSPVIATNTB-XOBRGWDASA-N	407.480	5.058	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC(C(F)F)CC1	444029729	IMAYGUDZXXAZHC-CYBMUJFWSA-N	418.328	5.386	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c2ccccc21	444036680	YKZVAZFDAVDMDI-UHFFFAOYSA-N	416.912	5.278	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(Cc3nccc4ccccc34)no2)c2ccccc21	445500817	DWYGLVYCMYIAJM-KHPPLWFESA-N	405.461	5.247	30	20	HKED	
Cc1cc(C)c(Br)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1	461025962	SGDRQYQEBVNUGX-UHFFFAOYSA-N	412.312	5.313	30	20	HKED	
COc1ccccc1[C@H](C)SCCC(=O)Nc1sc2c(c1C#N)CCCC2	463197033	HBXBNQKQVDFLNU-AWEZNQCLSA-N	400.569	5.330	30	20	HKED	
Cc1cc(Br)cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	463593304	VNTIZDGVWHVWEN-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cccs1)c1cc(C(F)(F)F)ccn1	464412007	PZGOMGQBHWXRLO-INIZCTEOSA-N	418.465	5.944	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(OCCC)c1	464414910	PURMOJPAOPQJDP-QGZVFWFLSA-N	406.404	5.168	30	20	HKED	
CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	467455295	CBTDGAWKSVZCFP-UNMCSNQZSA-N	423.582	5.584	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1	473574339	KLRUVPDGRMUYGV-OAHLLOKOSA-N	421.953	5.553	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@]2(CCCOC2)C1	473619844	NBWMDKNRJKUGAJ-XMMPIXPASA-N	405.498	5.084	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1cccc(C(F)(F)F)c1	474552492	UJKIAFWBOGFJNZ-LEWJYISDSA-N	400.444	5.326	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1	475506851	JSDKIMIPDGSCNC-CQSZACIVSA-N	422.472	5.753	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O	475548497	RKGLGMZCJJZJGL-IBGZPJMESA-N	411.933	5.119	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C	475552557	WNEWEEJYCIAWRL-AWEZNQCLSA-N	422.495	5.797	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	475986151	OTAUVPGOFMDAQT-GMAHTHKFSA-N	405.542	5.614	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1	476123282	UNRABWUACWBPTR-UHFFFAOYSA-N	424.997	6.420	30	20	HKED	
CC(C)n1c([C@H]2CCCN2C(=O)C[C@@H](CC#N)c2ccccc2)nc2ccccc21	476155168	OQQYSNHHWKYNCX-NFBKMPQASA-N	400.526	5.368	30	20	HKED	
Cc1ccc([C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C2CC2)cc1	476383358	ZHGOOOIUMYSTFI-UBVWURDFSA-N	403.526	5.007	30	20	HKED	
C=CCc1cc(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)cc(OC)c1OC	477985727	ONSQFXMSNQQMKX-UHFFFAOYSA-N	416.688	5.350	30	20	HKED	
C=CCCC[C@H](C)NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1	479709643	WLRLURQMGYVMSV-KRWDZBQOSA-N	413.587	5.453	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(OC)cc1Br	481840202	LLKBHZQWYSDVFN-UHFFFAOYSA-N	424.360	5.110	30	20	HKED	
Cc1ccccc1-n1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1	483280592	DDPAMIOSYUCEIL-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
CCOc1cc(/C=C\c2nc3ccccc3n2CC#N)ccc1OCC(F)(F)F	485979619	DSALTXQFPSDNGD-NTMALXAHSA-N	401.388	5.070	30	20	HKED	
C=CCn1c(SCc2cc3ccccc3o2)nnc1[C@@H]1COc2ccccc2O1	486633091	SXASMOSXWGYFKR-FQEVSTJZSA-N	405.479	5.015	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)ccc21	487561495	BUAMVCABCVYAGW-HSZRJFAPSA-N	403.526	5.070	30	20	HKED	
CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](CCCC#N)c3ccccc3)n2)cc1	487591235	GPKXZHCNZCGDFC-QFIPXVFZSA-N	416.525	5.344	30	20	HKED	
Cc1csc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1Br	489707617	AFYCCDROBFLCNU-SNVBAGLBSA-N	404.116	5.121	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](CCC)c1cccc(C(F)(F)F)c1	490973476	JGEUXXLBHKLPCV-FQEVSTJZSA-N	424.463	5.420	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)CC3	492183021	XODNWIUZOUZQLS-SJORKVTESA-N	418.566	5.550	30	20	HKED	
COc1cc(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	497446221	WTLBOTJXVBCADM-CYBMUJFWSA-N	404.825	5.240	30	20	HKED	
CCCn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	498696069	JFIUZYMBYWDZIA-MRXNPFEDSA-N	410.930	5.437	30	20	HKED	
CCC[C@@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N	499058710	XOLCGVIAABOKPU-BEFAXECRSA-N	413.509	5.074	30	20	HKED	
CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1C	499587706	SRHNAVZZNMMDKM-UHFFFAOYSA-N	408.445	5.671	30	20	HKED	
C=CCc1cc(CN[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc(OC)c1O	500923276	UNMHGVDJTZCJJD-MRXNPFEDSA-N	408.567	5.720	30	20	HKED	
Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	501010560	LJBSOCNBYSOTBP-CYBMUJFWSA-N	409.873	5.142	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	502158241	ZIXNJRVNCHZSRA-FYYLOGMGSA-N	418.928	5.363	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc(C)c1OCc1cccnc1	503520460	FVWQROYLQDLUIL-LJQANCHMSA-N	413.502	5.377	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1	505010006	AJIJGUMYSUCAPI-UHFFFAOYSA-N	419.550	5.010	30	20	HKED	
Cc1ccccc1NC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	505772706	UWGBQIVNOCLJAN-CQSZACIVSA-N	402.306	5.671	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	510675042	NNJNVKUKTZHIPS-QHCPKHFHSA-N	413.477	5.728	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	510842875	MAGPLSRRJSZNPI-LVCYWYKZSA-N	409.555	5.370	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)cc1	518026959	BCRYZHHCJURUIP-JOCHJYFZSA-N	404.510	6.099	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C12CC3CC(CC(C3)C1)C2	518668895	SAZZDYLMIUYJNX-UHFFFAOYSA-N	408.489	5.866	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccccc2Cl)n1	520825058	UADAEQUCOUZYJP-CYBMUJFWSA-N	413.955	5.968	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCc3ccccc32)cc1	524153244	RSOLAAKXXTWOGN-OAQYLSRUSA-N	411.505	5.183	30	20	HKED	
CC(C)(CO)[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	532617852	QSNDIJYWWJLJAR-SANMLTNESA-N	414.549	5.029	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCC2(c3ccccc3Cl)CCOCC2)CC1	536855564	ANSQLRZBXBXJJA-UHFFFAOYSA-N	408.973	5.382	30	20	HKED	
CCCc1nc2ccccc2n1CCC(=O)Nc1ccccc1S[C@@H](C)CC#N	537641936	INWNZPPYBZHTEP-KRWDZBQOSA-N	406.555	5.412	30	20	HKED	
Fc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c2ncccc2c1	538323571	QLPQUBKKWPJUHL-KRWDZBQOSA-N	402.313	5.786	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCCc4cc(OCc5ccccc5)ccc43)cc2)CC1	538566746	WSZALZZTOFXRQN-UHFFFAOYSA-N	408.501	5.414	30	20	HKED	
Cc1cc(C)cc([C@@H]2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1	543246587	VCJRUIHULKKVLJ-WOJBJXKFSA-N	407.583	5.126	30	20	HKED	
N#Cc1cccc(/C=C/c2nc(Cc3nc(-c4c(F)cccc4F)cs3)no2)c1	544473003	UWGROLDIPQHAIU-BQYQJAHWSA-N	406.417	5.104	30	20	HKED	
C=CCC[C@H](NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccco1	552280710	QSXVNULEWOYSRZ-IBGZPJMESA-N	406.448	5.200	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	553325714	GNQDAISYLUBZAV-WIYYLYMNSA-N	421.972	5.223	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	554877213	XUQPVKSSQISOSN-WMLDXEAASA-N	411.493	5.525	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1c(F)cncc1F	557785809	NIYMRYTYJPJQKU-CQSZACIVSA-N	409.461	5.015	30	20	HKED	
COC(=O)c1c(CN[C@H](C)c2ccc(C#N)cc2)nc2ccccc2c1-c1ccccc1	570109356	OPTVMEOVHBPYDR-GOSISDBHSA-N	421.500	5.411	30	20	HKED	
CCN(C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)[C@@H](C)c1ccc(C#N)cc1	603618761	JMBFMLAFBJOPJN-IBGZPJMESA-N	412.537	5.371	30	20	HKED	
N#CCc1cccc(C(=O)N(Cc2cccs2)c2ccc(Br)cc2)c1	603975677	FBQKFWIWNQNDRN-UHFFFAOYSA-N	411.324	5.424	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCCNc3ccccn3)cc2Cl)cc1	604089905	RYBJFFCMRJIIBA-UHFFFAOYSA-N	421.888	5.023	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc3ccccc3c2)cc1C	604450141	LEIBGLTWGJDHRE-UHFFFAOYSA-N	408.505	5.164	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nnc1-c1ccccc1F	605903278	KAJDDYUPSQYVHL-CYBMUJFWSA-N	404.536	5.117	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	609061136	SRFWYYTWLWDJSL-MOPGFXCFSA-N	416.443	5.753	30	20	HKED	
COc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609075870	KBWKIXZCVPAXJS-UHFFFAOYSA-N	421.884	5.121	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccccc2)no1	609388763	DFNPEJLNEIJPQL-HNNXBMFYSA-N	424.551	5.003	30	20	HKED	
COc1cc(CSCc2nc(C(C)(C)C)no2)ccc1OCc1cccc(C#N)c1	609741225	WLDBIKCYCDJIQC-UHFFFAOYSA-N	423.538	5.260	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nccs1	610093664	QQQWBJNEMPKRSA-HSZRJFAPSA-N	420.538	5.235	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H](C)c3cccc(C#N)c3)s2)cc1	610351084	MNQULMBXEJZGDG-RDJZCZTQSA-N	404.539	5.420	30	20	HKED	
CC(C)Oc1cccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	611125014	XTGQINNHJGMZON-UHFFFAOYSA-N	416.481	5.197	30	20	HKED	
Fc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1Br	618448339	VYHLEUNMEQLGIX-UWVGGRQHSA-N	408.155	5.151	30	20	HKED	
CC(C)c1c(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1Cl	618767397	YSYCVYRXSBFZHA-IBGZPJMESA-N	419.916	5.330	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccccc1	637751586	CBLGPWUGCMFNKO-LJQANCHMSA-N	410.518	5.026	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c(C)c1	642511687	CPYFSWZTPDUJFK-UHFFFAOYSA-N	403.526	5.231	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)OCc2csc(-c3cccs3)n2)c1	726692366	WJOWFNZROBCJMV-UHFFFAOYSA-N	422.487	5.272	30	20	HKED	
O=C(O)C(=O)/C(=C\c1ccc(-c2ccc(F)cc2)s1)c1ccc2ccccc2n1	728156201	DFPKHWFNPPBFIV-AQTBWJFISA-N	403.434	5.297	30	20	HKED	
CC(=O)Nc1ccc(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	731317372	DWTCTKKCMQDEFW-UHFFFAOYSA-N	402.479	5.118	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732496374	SPNHCPIHIRVULY-DOMZBBRYSA-N	420.481	5.920	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(F)c(F)c1	732987083	RIVQSWWSZNRHQV-FOIQADDNSA-N	415.509	5.135	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)s1	733081473	ZKVAOEBRDVQWBN-SNAWJCMRSA-N	421.297	5.438	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(OC(F)F)c1	733083852	RWVSFWHPRAXKJH-FPLPWBNLSA-N	402.378	5.216	30	20	HKED	
COc1ccc(-c2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)c(F)c2)c(F)c1	733259106	RFFOEVNRWMBQAT-OAQYLSRUSA-N	412.823	5.288	30	20	HKED	
N#CCOc1ccc(COC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1	733386017	YPKVNTBQFIFBSJ-UHFFFAOYSA-N	406.488	5.284	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(CCC(C)C)cc2)ccc1OC	733627478	LDMKWMXUVIPXAU-OAQYLSRUSA-N	409.530	5.286	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccc(C)s2)c1	733804794	IFTOTTPFGAVODV-IBGZPJMESA-N	423.538	5.243	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12)c1ccncc1	734455673	KFDGHHHHTYREPK-KRWDZBQOSA-N	402.454	5.048	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc2c(c1)OCO2	735236417	BKODYWNFTBTPGX-UHFFFAOYSA-N	419.481	5.138	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	739153926	AEVXTODLVIQEJY-KDOFPFPSSA-N	414.452	5.884	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(-c3ccccc3Cl)o2)cc1F	741846447	GBFWVXUVIVSGFN-CLFYSBASSA-N	404.846	5.039	30	20	HKED	
CS[C@@H]1CC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	743139324	IZCFPYGNEMPYQG-FUHWJXTLSA-N	415.946	5.196	30	20	HKED	
C[C@@H]1CC[C@@H](CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)O1	744034320	AIAUTCCMOSQSPN-ZLDLUXBVSA-N	409.338	5.641	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2CC(C)(C)C)c1=S	747075556	DCZCAZLTKCUHKK-QGZVFWFLSA-N	400.592	5.134	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2coc(-c3ccccc3)n2)cc1)Nc1ccccc1	749885720	FHLNKCCXMHCZNW-DTQAZKPQSA-N	424.456	5.255	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C[C@H](C)c3ccccc3C2=O)cs1	751534245	CHARSZURUSQGLS-CQUHBBLWSA-N	402.519	5.910	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	757875001	MMDVCEREJHPESI-GOSISDBHSA-N	420.534	5.290	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)c1	758291269	VKGZOXIJEQPENF-UHFFFAOYSA-N	417.065	5.088	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccnc1	760195850	NCIXQEZCCYCRGN-ICFVPDRFSA-N	405.567	5.160	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNCc2ccc(Br)cc2C(F)(F)F)cc1	763534573	HOZSNHSEBWHRHV-LBPRGKRZSA-N	413.237	5.049	30	20	HKED	
CCCCCCCS(=O)(=O)[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1	764744802	PULGZGGDCJWBNL-CYBMUJFWSA-N	404.454	5.202	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2)c1C	766618424	PPIIOHBBJJYUDJ-JOCHJYFZSA-N	424.504	5.047	30	20	HKED	
CCC(CC)C(=O)N1CCC(=NOCc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1	768521996	OFBDGQCCBRKESM-UHFFFAOYSA-N	417.937	5.235	30	20	HKED	
C[C@@H](CSCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	772974544	LIHNEBKHBLVGIH-JXFKEZNVSA-N	417.559	5.428	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1C(F)F	774546296	OVQCGUHUSDCANT-GOSISDBHSA-N	402.404	5.344	30	20	HKED	
C=CCC[C@H](C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1ccccc1	777644170	DOWYINNQSWMOTO-SFTDATJTSA-N	404.466	5.244	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)n1	782698884	BTKHUDXVXRYFAF-QGZVFWFLSA-N	412.280	5.030	30	20	HKED	
CC(C)(C)c1csc(-c2cccc(OC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)n1	791604951	BQLKVNRBNMEIOO-IBGZPJMESA-N	415.518	5.267	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1cnc2ccccc2n1	792108506	CSWSKRJKMCTAPQ-CJNGLKHVSA-N	418.909	5.188	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(c3ccccc3Cl)CCOCC2)s1	797571772	PTODRDDUXYJYAR-AWEZNQCLSA-N	402.947	5.019	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CC(C)(C)CC(=O)c1ccccc1	799600451	OIWXOHXHUWMBAO-IBGZPJMESA-N	400.478	5.057	30	20	HKED	
N#Cc1sc(N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)nc1Cl	804711687	RCYWQXVGUUNPCZ-AWEZNQCLSA-N	401.841	5.267	30	20	HKED	
CC(/C=C(\C(=O)C(=O)O)c1ccc2ccccc2n1)=C\c1cccc(C(F)(F)F)c1	806570264	UZGKORSORWSHOS-UJUKKVGJSA-N	411.379	5.394	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCC(O)CC2)cc1)=C\c1cccc(C(F)(F)F)c1	806570987	BQOSMIIAJXHPRF-FLFKWLLQSA-N	415.455	5.509	30	20	HKED	
CN(C)c1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1	815910933	LNJDUFVRCDZHEY-IBGZPJMESA-N	421.953	5.438	30	20	HKED	
COc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1OCc1cccnc1	915048991	ORKXAJSOOVUMDK-UHFFFAOYSA-N	423.516	5.710	30	20	HKED	
C(=NN(Cc1ccccc1)c1ccccc1)c1cc2ccccc2nc1N1CCOCC1	916249657	DGJGTBQHEBHCLL-UHFFFAOYSA-N	422.532	5.112	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3cccc(OCC#N)c3)cc12	916409483	FVTWGJJZEIVCKE-UHFFFAOYSA-N	422.897	5.204	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1	917046420	JWZDMPBJYZICAK-CYBMUJFWSA-N	405.704	5.131	30	20	HKED	
C=CCN(C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)C(C)C	920873383	ZJEVJLKBWWIPEC-UHFFFAOYSA-N	419.447	5.694	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCCO3)cc2)CCC1	1786643201	QFCVCRFWXOFRPH-OAQYLSRUSA-N	412.574	5.072	30	20	HKED	
C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccccc1OC	6147859	NEXBWMOSPMNMIN-UHFFFAOYSA-N	416.344	5.195	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)c(C)c1	61068776	RKDMQXPCDJNACH-SFHVURJKSA-N	415.543	6.041	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1	64833995	QOJCIXQIXPXPPO-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)ccc1OCC#N	211852026	XQASVLKHYQKMQJ-POHAHGRESA-N	409.388	5.248	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	261423113	BYUUNBDZWDOZOQ-IBGZPJMESA-N	416.546	5.699	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNc2ccc(C(=O)Nc3cccc(Cl)c3)cn2)c1	301305304	XWYRLWMAGXWXDQ-HXUWFJFHSA-N	420.900	5.280	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1	303467978	PXJRNUBOSYXNTB-HNNXBMFYSA-N	424.472	6.404	30	20	HKED	
N#CCCC[C@@H](NCc1c(-c2ccc(Cl)cc2)nc2sccn12)c1ccccc1	433010573	COJJHDXDHQNSQZ-HXUWFJFHSA-N	420.969	6.241	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Br	436331782	OEGKFWPALIZJDM-AEFFLSMTSA-N	403.707	5.014	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Br)c1	437263387	ARXBZKKBCBZUGU-ROUUACIJSA-N	403.707	5.014	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(C(C)C)c(O)cc2C)cc1C	439236858	MDBLYBJZTVQSIU-UHFFFAOYSA-N	416.525	5.470	30	20	HKED	
Cc1nc(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)oc1C	440713450	HAFFWMGPWGEPFH-UHFFFAOYSA-N	416.359	5.618	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(F)c(C(F)(F)F)c1	442831587	AYOUODSWONCXBU-GFCCVEGCSA-N	412.408	5.256	30	20	HKED	
C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)c1cccc(C#N)c1	442907303	ZFXRQXQDUSSWSP-MRXNPFEDSA-N	423.973	5.241	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c2ccccc21	444301441	FEFOXHFISHKDOB-UHFFFAOYSA-N	411.465	5.125	30	20	HKED	
O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N(Cc1ccc(F)cc1)CC(F)(F)F	460470760	JVGDIQDLJLZMAC-SJORKVTESA-N	419.340	5.539	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1cccc(C)c1	460797668	KFKDKAIOKLWTHQ-HSZRJFAPSA-N	402.542	5.221	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1NC(=O)c1occc1COc1cccc(C#N)c1	464674937	SHJRZQPBZNOVFU-UHFFFAOYSA-N	410.857	5.423	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1C	469014448	PXBGUTXYVCBVIV-UHFFFAOYSA-N	402.498	5.244	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1	470728427	VGHMVNHGEHPUPB-HXUWFJFHSA-N	422.513	5.080	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1	472345782	FPYLGSFMVZQFCB-SEPYTNNBSA-N	411.546	5.242	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(Cl)c1	473485634	ARPVAPBUVOVDAM-QGZVFWFLSA-N	411.914	5.527	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1cnc2ccccc2c1	475358509	OOAPNHJFOWMIOU-UHFFFAOYSA-N	409.464	5.330	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	475549663	FNEQVBRKBNQMRQ-UHFFFAOYSA-N	408.386	5.887	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1	475553811	GSMTWHUYZPBHAC-UHFFFAOYSA-N	420.557	5.125	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1	475557051	VZINFYFOUKQJEP-HXUWFJFHSA-N	420.557	5.125	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1	475557445	BKZQDDPKCNWOFF-GOSISDBHSA-N	402.542	5.915	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	476525248	YIGHOUNXBXGILE-CQSZACIVSA-N	411.527	5.525	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3C3CCC3)cc2Cl)c1	480351776	YDGCUEZIWHENHO-NRFANRHFSA-N	409.917	5.587	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	480581893	TVEXQVINGJOFPP-XMSQKQJNSA-N	422.598	5.113	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482444852	HEJJZRZMONTMKW-JDNHERCYSA-N	408.317	5.249	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C	482583546	QWIRKCDVLVDXBJ-OAHLLOKOSA-N	424.382	5.046	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c12	483219933	MVIDUGAEKVNURZ-FQEVSTJZSA-N	423.520	5.410	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccnc(C#N)c1	483617618	DHENOWNNCNCUGM-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
CC(C)[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1Cl	488782701	IGRAGOHXOLJACR-OAHLLOKOSA-N	413.852	5.381	30	20	HKED	
C=CCn1c(SCC(=O)c2cccc(OC(F)F)c2)nnc1-c1ccccc1C	488925349	JYMRQRKMKBWVDA-UHFFFAOYSA-N	415.465	5.016	30	20	HKED	
N#Cc1c(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)sc2c1-c1ccccc1CC2	504078052	QKPVCHZIEBZGKE-LJQANCHMSA-N	414.530	5.532	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)N(Cc3ccsc3)c3ccccc3)CC2)c(F)c1	509247557	PWXVBPMRCNAWIE-UHFFFAOYSA-N	419.525	5.209	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c1	510219481	DFOVZXVQPQWTGH-HNNXBMFYSA-N	405.548	5.461	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1Cl	513124783	WMLCMZDDRXCWBM-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
CCc1noc2ncc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc12	516447619	OWFDVWLZMGYMIQ-ZDUSSCGKSA-N	408.527	5.122	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(CSc2ccccc2)cc1	517778468	VOMFEOBGIWMUPH-UHFFFAOYSA-N	416.546	5.139	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Br)c1	520531435	IIIWCPKOTXPMKH-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1	521651780	SPEKRKBOOPUCNJ-UHFFFAOYSA-N	419.554	5.180	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC)c2cc(F)ccc2F)cc1	524901586	IYIAWLLDCDLWIU-OAQYLSRUSA-N	413.468	5.052	30	20	HKED	
C=CCn1c(S[C@@H]2CCCN(c3ccccc3Cl)C2=O)nnc1-c1ccccc1	525043616	ZHPBVSBJLUBQCO-LJQANCHMSA-N	424.957	5.072	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl	525144581	YJPQSFJABXBPOJ-UHFFFAOYSA-N	413.905	5.237	30	20	HKED	
Cc1cc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c2cc(OC(F)F)ccc2n1	525358850	SHIKGMOTTSRWAP-UHFFFAOYSA-N	414.296	5.466	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	525566900	KFFCUCXXFCVHKT-CQSZACIVSA-N	415.946	5.439	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(C)n4C)n3)n2)cc1	533953831	HFWMVGYIVMTHAN-INIZCTEOSA-N	418.547	5.379	30	20	HKED	
CCC(CC)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C	534583669	IWHSXZXIPRKXEF-CQSZACIVSA-N	414.481	5.444	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(CC(C)C)c1C(F)F	536264821	VZOHBUUSDMNBCN-UHFFFAOYSA-N	424.451	5.701	30	20	HKED	
CC[C@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc(OC)cc1	537207201	BBQNNQDHOFHFRZ-NRFANRHFSA-N	401.466	5.195	30	20	HKED	
CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(C#N)c(Cl)c1	540273944	CBOMRARWIPVHAD-UHFFFAOYSA-N	401.853	5.542	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	540306922	GLIHKXBTUTWVHJ-UHFFFAOYSA-N	421.447	5.168	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)n2)c(Cl)c1	542038125	OVVZTVJXTYRWJZ-UHFFFAOYSA-N	409.635	5.096	30	20	HKED	
N#Cc1cc(C(=O)N(c2ccccc2)c2ncccc2Br)ccc1Cl	543458366	XRINFJBRXPWWBE-UHFFFAOYSA-N	412.674	5.348	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCCCSCC#N	543495708	RCSOGMIFPDEWQB-LBPRGKRZSA-N	410.406	5.179	30	20	HKED	
C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543961969	ZWCULMXNBMJBPR-OAQYLSRUSA-N	420.560	5.412	30	20	HKED	
CN1CC[C@@H](c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)c2ccccc21	547056622	KXYCTSKWZWTENU-RJRNSMGGSA-N	409.493	5.080	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)c(OCC(F)F)c1	565381550	BGPGOPWPIGQRIH-UHFFFAOYSA-N	406.477	5.027	30	20	HKED	
COc1ccc([C@H](CCC#N)NCc2ccc(Oc3ccccc3OC)cc2)cc1	566080135	DLMZZMHCPFIFJX-QHCPKHFHSA-N	402.494	5.631	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)cc1	566531874	GIUGAVVQTGXASL-AZUAARDMSA-N	412.493	5.464	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)N(C)[C@H](C#N)c3ccc(CC)cc3)cs2)cc1	567816985	VLIJZLISKVANEG-JOCHJYFZSA-N	419.550	5.037	30	20	HKED	
Cc1cc(-c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)ccc1N1CCC[C@H](C)C1	570972708	ZFIOTDSSFNAJEI-HTAPYJJXSA-N	411.509	5.003	30	20	HKED	
CN(C)c1cccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	577540248	NDOATVUCERZKLC-UHFFFAOYSA-N	421.488	5.348	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2cc(C#N)ccc2OC(F)F)o1	581755376	IQBKYVPKHSBMMR-KRWDZBQOSA-N	403.429	5.464	30	20	HKED	
N#CCCCCCC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1	588647317	PGBGJYIGYPNCIM-FQEVSTJZSA-N	403.295	5.268	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1cccc(C#N)n1	589432143	QJWHJEQEBIUCTF-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#Cc1ccc(N2CCC(N[C@H](Cc3ccccc3Cl)c3cccs3)CC2)nc1	589945758	RRJFVNSARCXDIB-OAQYLSRUSA-N	422.985	5.211	30	20	HKED	
Cc1sc(C2(NCc3ccc(C(C)(C)C#N)cc3)CCC2)nc1-c1ccccc1F	590209516	GKOHAMFMODKGMG-UHFFFAOYSA-N	419.569	6.228	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1	595236100	XCBVDGSNGSICCX-DQEYMECFSA-N	410.517	5.396	30	20	HKED	
CC1CCN([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)CC1	603658273	XQDFYHANKKIVQC-HXUWFJFHSA-N	410.587	5.144	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSC[C@H]2CCCCO2)cc1Cl	608937939	OVZPFMYRQHWNED-QUCCMNQESA-N	414.958	5.236	30	20	HKED	
CCc1ccc([C@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	609018988	VAEPQUWVMPNXEN-AWEZNQCLSA-N	408.552	5.007	30	20	HKED	
Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cnn1Cc1ccccc1	609177456	VXGFANBPJYSXGU-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	609437184	USMGRQRLTJHGLF-SIIHOXLZSA-N	419.472	5.777	30	20	HKED	
CCO[C@@H](C)c1nc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cs1	609925925	JJYGNRSCVCPVHG-ZDUSSCGKSA-N	411.552	5.548	30	20	HKED	
C[C@H]1COCCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	610949222	QYLCKVKUHZBHCB-AWEZNQCLSA-N	419.403	5.012	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)o2)c(Br)c1	611491661	UEXXQPPAMJZHFW-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)cc1	613317986	BZTXISIDCQBJDM-FQEVSTJZSA-N	424.529	5.672	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)C1	619336025	DEJYCQUYNIMMAQ-IBGZPJMESA-N	405.285	5.338	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OC[C@H]4CCCO4)c3)n2)cc1	642281061	FZAQFPJGIGVEMR-RTWAWAEBSA-N	418.518	5.166	30	20	HKED	
C#Cc1cccc(NC(=S)N(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)c1	726484547	OTTMZBMLKWAXOG-HNNXBMFYSA-N	406.473	5.093	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3nc(-c4ccccc4)cs3)cc2c1C	726875325	VOTBUTOLSRNYHF-HJWRWDBZSA-N	420.515	5.411	30	20	HKED	
CC1CCN(c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cn2)CC1	727102994	ZPRBZXCQHQCNGN-DEOSSOPVSA-N	410.521	5.226	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1nc2cc(Cl)ccc2s1	730490965	OSFISWXYOWFUHB-UHFFFAOYSA-N	420.925	5.018	30	20	HKED	
C[C@@H](NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1	730954545	CFMGKGHBMYNASV-CYBMUJFWSA-N	409.502	5.759	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(OCCCC#N)c3)cc2)nc1	733636980	TVZMOXIVMYRTCE-UHFFFAOYSA-N	402.454	5.509	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2cccs2)c1	735100328	KKYVDZTXAOXSAG-RBBKRZOGSA-N	419.550	5.212	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)n1cccc1	735207942	UPRIQAWQMDKRDW-IUODEOHRSA-N	404.322	5.746	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)COc3cc(Cl)c(Cl)cc3Cl)[nH]c12	735790556	NFGKCZJIIJYMGR-JTQLQIEISA-N	408.672	5.087	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)cc1	740434232	BPNQXWGJXQEYJX-JOCHJYFZSA-N	401.897	5.586	30	20	HKED	
COc1cc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)c(SC)cc1OC	741165671	QJELRBJTHXQHKC-WCIBSUBMSA-N	423.303	5.150	30	20	HKED	
COc1ccc([C@H](NCc2ccc(OC)c(C#N)c2)c2ccccc2Cl)c(C)c1	742388779	SENUWBZKMRUARX-DEOSSOPVSA-N	406.913	5.417	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	744118134	FPDRRTNSHAIQGA-USYSOWRXSA-N	404.388	5.734	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)n1	747193061	DCXFYVRARRCYSV-HXUWFJFHSA-N	402.519	5.773	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2sc(-c3ccccc3)nc2C)c1	752919998	RMCJGOMEXHWLLB-GOSISDBHSA-N	406.511	5.121	30	20	HKED	
N#C[C@H](C(=O)CCCc1csc2ccccc12)c1nc(-c2ccncc2)cs1	756245824	VZFVXZVOYKJOFJ-GOSISDBHSA-N	403.532	5.619	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1	760786407	SNAFLXMKRMTCLA-QHCPKHFHSA-N	404.441	5.049	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	761773830	YHMPOELSHCDOMX-UHFFFAOYSA-N	421.815	5.298	30	20	HKED	
CN(c1ccccc1)c1ccccc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl	764300925	GUTGFMZQKBZXCU-UHFFFAOYSA-N	406.829	5.140	30	20	HKED	
O=C(/C(=C/c1cncc(Br)c1)c1nc2ccccc2s1)c1ccccc1	767340772	GDBXGGCRHWMVLZ-BOPFTXTBSA-N	421.319	5.877	30	20	HKED	
N#CCCn1cc(CNc2ccc(OCC(F)(F)F)cc2)c(-c2ccccc2)n1	770484970	LUUCFZBIAXJLSV-UHFFFAOYSA-N	400.404	5.017	30	20	HKED	
CN1C(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(=O)[C@H]1c1ccccc1	771817316	IVKPMZZXMOCGJI-RBBKRZOGSA-N	415.880	5.135	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc2cccnc12)c1nc2cc(C(F)(F)F)ccc2s1	772641059	OOVXXLMZVBHMMU-OAHLLOKOSA-N	411.408	5.282	30	20	HKED	
O=C1C/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)C(=O)c2ccccc2N1	774140070	DPPBXWPLFVGPHT-LCYFTJDESA-N	414.408	5.437	30	20	HKED	
CCN(C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(C#N)c(Cl)c1	774150305	UJIMVFOKJGVEKZ-UHFFFAOYSA-N	418.806	5.083	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2cccc(Cl)c2)n1	774319561	FQKYRAYWUBQJLI-OAHLLOKOSA-N	404.825	5.033	30	20	HKED	
C[C@@H](N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccc(OCC#N)cc1	779081878	DRSBZIGZMNVLCA-SZNDQCEHSA-N	417.322	5.683	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)cs1	780676714	QNQRAABINMKOQD-CABCVRRESA-N	406.511	5.292	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nccc2ccccc12	792093745	AJSBNUJVZCSXDV-IBGZPJMESA-N	405.295	5.295	30	20	HKED	
C[C@H](Cn1ccc2ccccc21)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	796888049	JWQNLIHFCGGSGX-OXQOHEQNSA-N	410.502	5.149	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3ccc(CC[C@H](O)c4ccccc4)cc3)CC2)cc1	796918602	MHMSFJNWDFGINK-MHZLTWQESA-N	411.549	5.305	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797570886	LIGNSQSGROJZQF-ZDUSSCGKSA-N	423.401	5.480	30	20	HKED	
CC(C)(C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1)c1csc(-c2cccs2)n1	800386155	GFTPQIZLZNPGSE-OAHLLOKOSA-N	414.527	5.214	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	802044975	BSDUEDBRXOOURT-PBHICJAKSA-N	409.436	5.250	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccncc1	806819700	RISYLJHZWQCNMX-AZUAARDMSA-N	403.448	5.307	30	20	HKED	
N#CCOc1ccccc1-c1nc(CC2(SCc3ccccc3)CCCC2)no1	809447778	FVPGJWBXQFGOAY-UHFFFAOYSA-N	405.523	5.428	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2)cc1	813246721	OMZURYQHJQURKO-UHFFFAOYSA-N	407.813	5.359	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([S@](C)=O)cc1	814948763	DMAHFRCPLHXPGP-MHZLTWQESA-N	408.367	5.298	30	20	HKED	
FC(F)(F)C(F)(c1ccc(-c2nc(Cc3cccnc3)no2)cc1)C(F)(F)F	904677522	NOXZPBIKSIIGOY-UHFFFAOYSA-N	405.273	5.012	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1	915088011	YPPIRSWXVWBBGF-FQEVSTJZSA-N	413.502	5.029	30	20	HKED	
Cc1ccccc1N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	915353838	YDLVCWXBWASTDW-XMMPIXPASA-N	410.521	5.005	30	20	HKED	
FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2c(Cl)cccc2Cl)cc1	916333005	ADUPFNKLXLXMCE-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917042824	FBBBONDFMYMUFH-RISCZKNCSA-N	405.306	5.555	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)C[C@H](C)c3ccccc3)CCC2)cc1	1786679122	GAYBDZCMHDATPZ-IBGZPJMESA-N	422.594	5.234	30	20	HKED	
N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CCCC4)cc3)CCC2)cc1	1790515547	QAYYBNAEBWTKAV-OVCLIPMQSA-N	413.521	5.052	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sccc2C)[nH]n1	1819553688	RRKWJAPMTIEJNJ-KRWDZBQOSA-N	414.575	5.078	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1824142001	BZAJAGXNBHDUJJ-ZEQRLZLVSA-N	412.618	5.121	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(CC)cc2)cc1	10833000	XHIWMUZFTXETEU-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3s2)n(C2CCCC2)c1C	12256153	UUAIIRWDLSBLBF-UHFFFAOYSA-N	410.568	5.432	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1	41552356	IWWXDQYUXVQZCB-QGZVFWFLSA-N	412.415	5.208	30	20	HKED	
CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@@H](C)c1cc2ccccc2o1	60012204	VFZFEOCMFUDPFS-KRWDZBQOSA-N	406.482	5.082	30	20	HKED	
C[C@@H]1C[C@H]1[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(Cl)cc1	237455211	KEYRGOOKJUGNTH-BSDZUQITSA-N	404.945	5.604	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCCN(CCCc2ccccc2)CC1	303085837	BECHSWFTCKEVDZ-UHFFFAOYSA-N	423.560	5.006	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	303302675	CZOQPBBDGGCVAB-KBRIMQKVSA-N	404.457	5.842	30	20	HKED	
CCOc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1C	303638035	UZRUNKKMPPKJBO-UHFFFAOYSA-N	400.478	5.291	30	20	HKED	
Cc1cnc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	429044778	FDKPVVXNXLLNSV-ZDUSSCGKSA-N	412.902	5.652	30	20	HKED	
N#Cc1ccc(CSc2nnc(CCCc3ccccc3)o2)c(OC(F)F)c1	439549042	ZOXMZHGREVKGOL-UHFFFAOYSA-N	401.438	5.010	30	20	HKED	
N#Cc1cc(F)c(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)c(F)c1	445767683	SXFKOBLDKOVMMC-UHFFFAOYSA-N	419.456	5.336	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(Cl)c(Cl)c1	463192024	KIUGTEKVKJJXHE-LBPRGKRZSA-N	411.379	5.976	30	20	HKED	
COC[C@@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	467151014	VDKAUJNIPFJNQZ-QGZVFWFLSA-N	413.905	5.284	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)c1cccc(F)c1	468113520	OBZZYRUUEBNNEG-MRXNPFEDSA-N	402.425	5.337	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1Cl	471205508	VGDKTDIOTKNCDL-FXAWDEMLSA-N	421.888	5.214	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(CC(F)F)c1c(C)cc(Br)cc1C)OCC	472011245	GYQAMCXYFRVWPL-OAHLLOKOSA-N	404.295	5.035	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1	472869036	MONKTENHGNLQCR-UHFFFAOYSA-N	406.461	5.282	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1	473348041	SDUFKKLGUDOJSC-UHFFFAOYSA-N	407.426	5.150	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CO)c1cccc(Br)c1	475555313	VXWGTRPMYYUTLR-IBGZPJMESA-N	417.347	5.156	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	476067159	ZXFWXAHYALWRQH-YUDQIZAISA-N	416.546	5.162	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	479962091	JXNULRMHPZDZBE-RRQGHBQHSA-N	420.456	5.722	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(C)[C@H](C)c2ccc(C)cc2C)nnc1-c1ccco1	480111825	DICOTVHWOYMUBW-GOSISDBHSA-N	424.570	5.043	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1	480387001	VEQWWYQISLEBSY-UHFFFAOYSA-N	417.962	5.248	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H]1c1ccccc1	480608563	JZSFUBBUIPIXNM-XDHUDOTRSA-N	415.468	5.501	30	20	HKED	
C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1C1CCCCC1	481372263	NMLXUNILKLWTCY-IBGZPJMESA-N	424.614	5.055	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2F)n1	482216563	WBIBUBFPJHAMDJ-MRXNPFEDSA-N	408.502	5.275	30	20	HKED	
Cc1cc(NC(=O)N2CCC(F)(C#N)CC2)ccc1-c1ccc(Br)cc1	482387305	CPOBWXZKNMMJSI-UHFFFAOYSA-N	416.294	5.284	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1	483000299	ZWWUXQNAPWVVCJ-KRWDZBQOSA-N	414.349	5.185	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1ccccc1Cl	483338601	INUZKTUHJPWKOL-HUUCEWRRSA-N	403.935	5.181	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21	483362263	YBODGWCBOLEYBM-KSSFIOAISA-N	413.518	5.501	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	483526688	SMOQTQNFPSKVOB-OAHLLOKOSA-N	407.445	5.380	30	20	HKED	
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)s1	487196245	KIVSZRXHOHTTKT-UHFFFAOYSA-N	404.520	5.356	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1	492359536	XQHKAHYBEDQXBD-CQSZACIVSA-N	421.722	5.002	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(F)F)c(F)c3)n2)cc1	496031028	WDHNDHFNSCKATQ-CQSZACIVSA-N	402.397	5.349	30	20	HKED	
N#C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1	499409149	SKOIIMDRTPUFOO-JOCHJYFZSA-N	419.322	5.352	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1	500740336	CAGDZQPOTWLKDI-QFIPXVFZSA-N	404.853	5.255	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(Cc2cccc(F)c2)n1	503142587	WSVYKEAVYUFTAK-CQSZACIVSA-N	411.527	5.520	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccnc1	503711748	AUEKUSZPZYRGDG-ZDUSSCGKSA-N	424.917	5.083	30	20	HKED	
Cc1nc(NC(=O)CCCCc2nc3ccccc3s2)sc1SCC#N	504691352	HILQWUNZRDXLOJ-UHFFFAOYSA-N	402.570	5.028	30	20	HKED	
Cc1nc(NC(=O)CSc2cccc3cccc(Cl)c23)sc1SCC#N	504701245	UAOQOCHAXWFGLJ-UHFFFAOYSA-N	419.984	5.605	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)N[C@@H](C)c2ccc(C#N)cc2)s1	505364366	OYYVWSYSINTEFS-IBGZPJMESA-N	403.551	5.444	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccccc1Cl	505701003	TUXFYAKJYLYSRH-INIZCTEOSA-N	410.886	5.040	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1	508276857	WYECNMFWWABJGA-OAQYLSRUSA-N	417.440	5.307	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1	509967958	JZLPNXBWFPDBKD-AWEZNQCLSA-N	416.868	5.161	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)ccc1OCC(F)(F)F	510341485	KHPNQNFGOFAQAI-LJQANCHMSA-N	417.431	5.649	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1nc(-c2sccc2Br)cs1	510532130	HGXRLPRVOSVXRX-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@@H]3Cc3ccccc3)s2)cc1	510687349	WGMDUHCMWFTNIH-OAQYLSRUSA-N	416.550	5.235	30	20	HKED	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cccc(COc2ccccc2C#N)c1	513299399	DUPZSUXCMKJCEV-INIZCTEOSA-N	404.432	5.186	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cnccc2-c2ccccc2)c1	514691140	LAOUHEXAFLJARD-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1	515852420	CEFPFJZFVGIEJG-GOSISDBHSA-N	402.469	5.603	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)c2ccccc12	515880639	UMYFPJFLNPXGLM-KRWDZBQOSA-N	401.485	5.735	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(-c2ccccc2)cs1	516074880	HUEPALADKWJEHX-KRWDZBQOSA-N	404.882	5.139	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1	518667713	JPYXWNDNZBJSCX-RBUKOAKNSA-N	415.562	6.044	30	20	HKED	
CCc1nc(C(C)C)ccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	519633220	RBQJIIREXHJVBS-UHFFFAOYSA-N	423.567	5.035	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	520196072	WSPVHWALPZUOSM-XMSQKQJNSA-N	423.582	6.239	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1cccnc1SCc1ccc(F)cc1	520335060	AEVYSMBXHULWJH-UHFFFAOYSA-N	408.498	5.008	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Cc2ccc(F)cc2)CC1	520855110	CMIGGZZKWGMUMC-QGZVFWFLSA-N	411.546	5.564	30	20	HKED	
CC(C)Cc1ccc([C@H](C)NC(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1	521726748	NXELUJFMZZNROS-OALUTQOASA-N	409.599	5.426	30	20	HKED	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	523099303	PPCUOJQTJIRWTH-ICSRJNTNSA-N	400.478	5.057	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(Cl)ccc2OC(C)C)c1C	523529415	RKRDOXGLNBNLIZ-UHFFFAOYSA-N	408.889	5.054	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Br)cc1	524391287	BLPHQWCHKXLLEQ-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	530986389	QSFOSPWMZQKUCY-QGZVFWFLSA-N	407.539	5.411	30	20	HKED	
Cc1ccc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc2n1	532563848	RBDBJKRTWFCVEP-UHFFFAOYSA-N	415.440	5.820	30	20	HKED	
C=C(C)COc1cc(CN(Cc2cccc(C)n2)Cc2cccc(C)n2)ccc1OC	537689045	YKFNPLIAHNTNRV-UHFFFAOYSA-N	417.553	5.259	30	20	HKED	
N#CCCCOc1cccc(N[C@H]2CCCOc3c(Br)cccc32)c1	540726342	PFKICXMOWRITCN-IBGZPJMESA-N	401.304	5.457	30	20	HKED	
CSc1cccc(F)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	540840860	VMQGHJGPZMULIC-QGZVFWFLSA-N	410.901	6.109	30	20	HKED	
COCC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(C)o1	541109089	LXDUIGVYZFLTOJ-MBSDFSHPSA-N	417.509	5.265	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1	542975863	JDBBUBFLJFMVHM-JJEOQYAHSA-N	405.542	5.179	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2scnc2C2CCCC2)cc1	546070253	NESFYDMFPQIGMQ-UHFFFAOYSA-N	417.534	5.698	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)ccc21	554009956	IIXAFMWUPBUSGC-UHFFFAOYSA-N	416.431	5.230	30	20	HKED	
N#CCCC[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	560564717	MXXSCJNJQGMJAK-HXUWFJFHSA-N	415.484	6.354	30	20	HKED	
Cc1nc([C@@H](NC2CCC(C#N)(c3ccccc3)CC2)c2ccc(Cl)cc2)no1	566755177	KPPUAANONQDZCE-QKDPSFTKSA-N	406.917	5.115	30	20	HKED	
CCCc1c(NCC(=O)Nc2c(C)cc(C)cc2Cl)cnn1-c1cccc(C#N)c1	567040777	SGSZKYQSOOARJX-UHFFFAOYSA-N	421.932	5.017	30	20	HKED	
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	570992956	FXTIUNFUZIIIJS-LJQANCHMSA-N	415.493	5.156	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2nc3ccccc3s2)s1	574661313	RUEIHRWYXGKBGF-UHFFFAOYSA-N	424.547	5.329	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(C#N)c(Br)c1	575090723	JLRNGQBZRYNJSL-UHFFFAOYSA-N	416.662	5.190	30	20	HKED	
C=C[C@@](C)(CCOC)c1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1	577300960	PYDAKIMUHXAUAN-VWLOTQADSA-N	414.509	5.129	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	589906370	WWMCLWQZSKLKJE-UHFFFAOYSA-N	419.378	5.097	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(F)ccc1Cl	590339182	WOKICCZJVYECRN-UHFFFAOYSA-N	415.665	5.601	30	20	HKED	
C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)Nc1sc2c(c1C#N)CCC2	598775759	XGLVQDHNFGZYBC-CYBMUJFWSA-N	401.491	5.447	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1NC(=O)Nc1ccccc1	607433313	QAZYUSKOZUWAPL-IBGZPJMESA-N	423.476	5.016	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(OCc2ccccc2C)c1	609262034	UKFWMNVJRJAUBZ-UHFFFAOYSA-N	410.517	5.203	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl	609387192	SEQUJUMPIFECHV-CHWSQXEVSA-N	408.354	5.684	30	20	HKED	
CCOCCOc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609426928	AEAFIZMLFPJPBO-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
CCOc1ccc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C(C)C)cc1	609499442	QRHUDNYRXSJIQL-UHFFFAOYSA-N	415.493	5.195	30	20	HKED	
CC[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2[nH]1	609503703	XCENAEBIILVZLO-NRFANRHFSA-N	410.477	5.302	30	20	HKED	
Cc1cc(Br)ccc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	609555910	LBNQWLDPFWWIJO-CQSZACIVSA-N	418.360	5.474	30	20	HKED	
C[C@@H](SCc1noc(Cc2ccc(Br)cc2)n1)c1ccc(C#N)cc1	609825709	OGZXCAIVAIEPQA-CYBMUJFWSA-N	414.328	5.289	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	610156864	AWXLDDVNEJWOOZ-FVQBIDKESA-N	420.456	5.722	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc(C#N)cc1F	610174360	OXHJABGFDJFQLJ-UHFFFAOYSA-N	416.239	5.468	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1Br)c1ccccc1	610973784	VIEJMVJODZLANO-UXHICEINSA-N	412.331	5.341	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1cccc(C#N)c1	611095938	YUKOSQRJZGNAOA-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
COc1cc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)cc1[N+](=O)[O-]	611255725	SFNOBYAJWNPOGK-BRPSZJMVSA-N	404.282	5.064	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2cc(C)ccc2OC)cc1OCC	642102900	BALKZOUNIIGFGB-UHFFFAOYSA-N	420.347	5.019	30	20	HKED	
C[C@H](CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	674444188	GIHJAAIVSBQPTQ-ICCXJUOJSA-N	421.303	5.398	30	20	HKED	
O=C(NCc1ccc(C(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	680923640	CJEREERRRVYBDV-VXGBXAGGSA-N	418.328	5.333	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12	684562892	DERLATWSRLBWHR-GDNZZTSVSA-N	407.329	5.618	30	20	HKED	
C(=NOCc1ccno1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	727411773	NAQFYVAZUMAZLA-UHFFFAOYSA-N	414.461	5.383	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3c(Cl)nc4ccccn34)s2)cc1	727975388	SSFXDLKRIRTSAU-ZHACJKMWSA-N	409.898	5.324	30	20	HKED	
C[C@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	727978633	KOJGPOVOVBFKOM-INIZCTEOSA-N	421.953	5.838	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1	728479094	HOCWTFAPNMGOPX-UHFFFAOYSA-N	407.473	5.360	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1Cl	731491939	DMYCZWUSSGZTJV-LJQANCHMSA-N	420.365	5.007	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=S)Nc2ccccc2-c2ccccc2)c1	733753898	GJFVBVZECCROSW-FQEVSTJZSA-N	401.535	5.521	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1	733806132	HPFHSPSODXIVAY-GMAHTHKFSA-N	409.505	5.237	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1ccncc1	734237901	VYQRWBBXXVKVJE-QFIPXVFZSA-N	411.509	5.121	30	20	HKED	
C=CC[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccncc1	734509183	IBPYUMAHSNMHGC-LJQANCHMSA-N	409.873	5.843	30	20	HKED	
Cc1ccc(-c2csc3ncn(Cc4cc(Cl)ccc4OCC#N)c(=O)c23)cc1	735232030	HEHZPTJZQABWPI-UHFFFAOYSA-N	421.909	5.038	30	20	HKED	
Cc1cccc2oc(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)nc12	743096211	OJSMWNKCAAVHEI-NRFANRHFSA-N	410.477	5.156	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CCc3ccccc3F)n2)cc1	744060797	BKQWHHNOZIPALN-HNAYVOBHSA-N	408.498	5.403	30	20	HKED	
CCn1c(-c2cccs2)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S	746055720	CIIGXBZMHUPOMW-UHFFFAOYSA-N	411.600	5.150	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(-c2ccccc2)ns1	747203583	BDYQYKRBIRFQNB-OAHLLOKOSA-N	416.289	5.078	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2SCCc3ccccc32)cc1	749613208	QJNCAHPIXJKTSZ-ZEQRLZLVSA-N	413.546	5.494	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)cc1	751512954	CJJZXYOSHCCXKJ-CMDGGOBGSA-N	407.520	5.080	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2cnc(-c3cccs3)s2)cc1	751512955	CJJZXYOSHCCXKJ-HJWRWDBZSA-N	407.520	5.080	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1C#N	752194502	OYMITCVYVQABSG-UHFFFAOYSA-N	410.433	5.080	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(F)cc1F)c1nc2cc(C(F)(F)F)ccc2s1	752476371	PGTQXEQBHDNDGT-ZDUSSCGKSA-N	410.367	5.402	30	20	HKED	
C=C(C)Cn1c(SC[C@@H](O)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1	759063379	BKODFKNLUWVEBJ-QGZVFWFLSA-N	421.353	5.049	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(CCC)[C@@H]2CCc3ccccc32)c1=S	764948503	WTXBQOFOQLLJRQ-OAQYLSRUSA-N	405.571	5.019	30	20	HKED	
N#C[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1cccc(Br)c1	768186626	WFZLILVZLKMQTL-LBPRGKRZSA-N	418.505	5.404	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2nnc(-c3ccccc3Cl)o2)c2ccccc21	774120802	CKIOUXWDQLFOBU-UHFFFAOYSA-N	420.856	5.005	30	20	HKED	
N#C[C@@H](COC(=O)C1CCC(C(F)(F)F)CC1)Cc1cccc(Br)c1	774391822	INLZUKRKPBNIEH-NFOMZHRRSA-N	418.253	5.043	30	20	HKED	
C=CC[C@@H](C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1	778428449	RUIDLNGULGHBNH-CQSZACIVSA-N	403.265	5.447	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1	780485080	HYASMOSTCXSOHK-QZUKWZBXSA-N	407.517	6.052	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1	780617374	SPQMHPWCGVKEJM-ZDUSSCGKSA-N	400.866	5.013	30	20	HKED	
Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	780676809	FPXGYXBQDZYRMA-INIZCTEOSA-N	400.482	5.088	30	20	HKED	
C[C@](O)(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	780892845	ORWYAQHAQAAMLK-QPPBQGQZSA-N	404.897	5.232	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1	782487776	LHBREUYULTWPLU-CQSZACIVSA-N	405.841	5.278	30	20	HKED	
C=CCC[C@@H](NC(=O)CC1CCC2(CC1)OCCO2)c1ccc(C(F)(F)F)cc1	788235916	ZRTGSFBGSNEMMA-LJQANCHMSA-N	411.464	5.152	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(Br)cc1OC(F)(F)F	788685313	PAWLSWMMCXBOQE-UHFFFAOYSA-N	416.222	5.028	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nccc2ccccc12	792100978	NCUGVAPPIVAQCU-MLGOLLRUSA-N	401.318	5.899	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccccc1SCCC#N	793467638	UXKVNYFOMOPBCC-UHFFFAOYSA-N	411.527	5.600	30	20	HKED	
COc1cc(C(=O)/C=C\c2cnn(Cc3ccccc3Cl)c2)ccc1OC(F)F	797121388	IIPLMCCMQYODTE-VURMDHGXSA-N	418.827	5.091	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	805859545	RMFDNAPDVDXTSR-INIZCTEOSA-N	422.893	5.626	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2)c1	813215629	ALPCEMORGCINLF-OAQYLSRUSA-N	424.422	5.407	30	20	HKED	
Cc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	817325050	VVCUNLBBRQYQJZ-OAQYLSRUSA-N	407.514	5.507	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)c2cc3c(ccc4ccccc43)[nH]2)c2ccccc21	912668556	ICSMBOHAROOTAY-UHFFFAOYSA-N	421.456	5.229	30	20	HKED	
CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	916720449	LSWDKMNBRLMSLR-UHFFFAOYSA-N	420.900	5.044	30	20	HKED	
CC(C)c1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916932190	RYDCYKQDMBAANF-INIZCTEOSA-N	421.349	5.556	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	916974938	SCXPEOQBMFCXNR-FXAWDEMLSA-N	404.535	5.887	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cnc2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1	917043742	OGYDLVYKIVIDQP-LMVHVUTASA-N	424.407	5.148	30	20	HKED	
Cc1ccccc1C1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCOCC1	920112734	IXEGILZYWUPTSO-INIZCTEOSA-N	410.926	5.183	30	20	HKED	
Cc1ccc(C(C)C)cc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140389	CKXHQWLJMFADGM-FQEVSTJZSA-N	415.518	5.369	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1	1789448577	CEJHEXPVYNHNLD-HXUWFJFHSA-N	419.525	5.068	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1	1790989528	DRFUOPQAGLGUIL-KRWDZBQOSA-N	415.537	5.436	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1	1791301056	MEIXQWHTTOPBAT-SQNIBIBYSA-N	416.512	5.158	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832489589	WYZCSGYCBDPMCN-QHCPKHFHSA-N	414.634	5.201	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1	7045113	IRTLLKQFSKXYLS-UHFFFAOYSA-N	408.914	5.732	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(C)c(C)c1	11162134	ZJOAIZJRFMVOIV-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	60477520	YWMZLIKENRTAAP-HNNXBMFYSA-N	406.816	5.972	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)oc1C	65104379	YTYQOJXZRSBJEH-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccoc1C	72031385	VVQYCRXOQFDHAQ-CYBMUJFWSA-N	409.433	5.784	30	20	HKED	
Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	410282677	HZZRBVREYNFSNJ-HXUWFJFHSA-N	420.900	5.105	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	433899021	WEPBPYZTWLLLSU-CJNGLKHVSA-N	408.386	5.697	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)Nc1ccccc1S[C@H](C)CC#N	434150342	LTIYZAPKKSAPIH-MSOLQXFVSA-N	419.554	5.839	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	438063613	IBPQJFNLJBTYPU-VCOUNFBDSA-N	407.583	6.047	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1F	438668807	ZVNSAVNBPZAPQL-UHFFFAOYSA-N	407.470	5.748	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1	442091335	UJVOTHVMEWXZAC-HNNXBMFYSA-N	419.481	5.128	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)c2ccccc21	444302482	AZRSIJVPTLZAPD-IBGZPJMESA-N	417.509	5.196	30	20	HKED	
CSc1cccc(F)c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	462268932	DHTHATKLJWIDFA-HXUWFJFHSA-N	406.482	5.121	30	20	HKED	
N#Cc1nnc2ccccc2c1N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	463746644	SCALIIQSHKHZLM-KRWDZBQOSA-N	401.470	5.254	30	20	HKED	
CC(C)(C)[C@H](C#N)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	464714441	UPBBVZUMBRFFCY-ARQBWRDGSA-N	424.429	5.163	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	466895303	YUQFBJOFEVDNIJ-GHTZIAJQSA-N	400.478	5.139	30	20	HKED	
CC(=O)Nc1cccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1C	468103721	VOJAWWZPJCMAHM-UHFFFAOYSA-N	415.468	5.120	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	474432851	INZPPAZDUPKGQW-FQEVSTJZSA-N	401.491	5.615	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1ccccc1	475015228	RBQJBCHTAMHGCO-GOSISDBHSA-N	401.441	5.104	30	20	HKED	
C=CCn1c(SCc2ccnc(C)n2)nc2scc(-c3ccc(C)cc3)c2c1=O	475961592	WWKXVBBTLWMHAO-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1	476094151	XJKOAUASLFCEKO-SFHVURJKSA-N	420.582	5.398	30	20	HKED	
Fc1cccc(F)c1-c1csc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)n1	481059779	MYOMIRYTAQPWLK-QGZVFWFLSA-N	420.353	5.760	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3)cc2F)c1	481599495	UCCCEZZVSGWDIY-HSZRJFAPSA-N	415.468	5.645	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccccc1	481909220	NQAGMLBBSXFWDT-OAHLLOKOSA-N	415.881	5.164	30	20	HKED	
CSc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1[N+](=O)[O-]	486996155	IPLBDVRZJSHUTC-OAHLLOKOSA-N	409.492	5.239	30	20	HKED	
CCOc1c(Cl)cc(CNc2c(C#N)cnc3c(F)cc(F)cc23)cc1OC	488179536	KUPYUVQFIQQQAJ-UHFFFAOYSA-N	403.816	5.057	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc3cc(OC)ccc3c2)nnc1-c1ccccn1	488902571	VURMROLNFWSNEM-MRXNPFEDSA-N	402.523	5.541	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1	490834744	OPNKDVWSTPNJIF-UHFFFAOYSA-N	407.470	5.047	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC=C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	498288232	NZLRTMHDOUMYQU-UHFFFAOYSA-N	421.478	5.116	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(Cc2ccc(F)cc2)nc1C	498445839	LRYCGLVNYMXZLY-UHFFFAOYSA-N	407.514	5.106	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](c3cccc(F)c3)c3ccccn3)c2)cc1	498884394	OYSITRFMVMQLMN-RUZDIDTESA-N	423.447	5.404	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnccc3Oc3ccccc3)n2)cc1	501376651	MBRIFMDPIKQTSN-IBGZPJMESA-N	411.486	5.796	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1	503080804	GRJDPCCJUSWVHV-UHFFFAOYSA-N	401.463	5.346	30	20	HKED	
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(CSC2CCCC2)c1	503155636	FZLIZSOIGDZWIP-QFIPXVFZSA-N	402.560	5.063	30	20	HKED	
CN(CC(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	503583655	UJRPIFGWFMQEOR-UHFFFAOYSA-N	411.277	5.058	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	505777594	QCZYOGVQZSVVFE-HNNXBMFYSA-N	402.306	5.671	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1	511390723	KSNNFCKSPMPQDF-UHFFFAOYSA-N	418.324	5.106	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCC(C)(C)CCC#N	513109042	VSFAUHWOGUCNFA-QGZVFWFLSA-N	418.006	5.874	30	20	HKED	
C[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1sc2c(c1C#N)CCCCC2	514766851	LNZYQSJPGFDBNK-KSFYIVLOSA-N	419.550	5.188	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2C#N)C1	514772940	BDIGILSJAOIGCY-OAHLLOKOSA-N	415.518	5.249	30	20	HKED	
N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3F)o2)sc2c1CCCCCC2	515676620	NYMYSQUDEPMREP-UHFFFAOYSA-N	423.513	5.644	30	20	HKED	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	518259225	FQJGSHUPJQTCSJ-INIZCTEOSA-N	412.515	5.432	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3ncc(-c4cccc(Cl)c4)o3)c2)c1	518460267	VSFGEYOUKSDORV-UHFFFAOYSA-N	415.880	6.058	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(F)ccc4s3)n2)cc1	518516520	IQTQGFHUYKCUFH-INIZCTEOSA-N	408.479	5.663	30	20	HKED	
CSc1nc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c2ccccn12	520005676	QSRIGMVYXFJNNV-UHFFFAOYSA-N	416.531	5.007	30	20	HKED	
CCc1sc(NC(=O)CSCc2ccc(C#N)cc2)nc1-c1ccc(OC)cc1	521493803	OLHPPFCPSNVUPO-UHFFFAOYSA-N	423.563	5.125	30	20	HKED	
CCC(CC)CN(CCC#N)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	533758655	PSXVJNIXTKMZNZ-UHFFFAOYSA-N	418.994	5.633	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1	535398468	SNMLFWXKZJMYAW-FQEVSTJZSA-N	411.567	5.233	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NCCCC1(C#N)CCOCC1	538611929	QRDHVGHGRKFYQN-UHFFFAOYSA-N	411.933	5.413	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)cc2)n1	539771795	GWLOMKWCIKQVDR-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C	539779854	HWGYJXDEVVHGNN-QGZVFWFLSA-N	404.489	5.016	30	20	HKED	
CC[C@@H](C)n1nc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C	540543301	VPTIHXCZQJMEQO-MRXNPFEDSA-N	404.539	5.579	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CC1	541043070	RXGUGORTXBAOLS-UHFFFAOYSA-N	421.394	5.794	30	20	HKED	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	542066786	DPKOFPKKYKCEDU-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C[C@@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542082781	BSRFLAJOUPDKBZ-GOSISDBHSA-N	422.488	5.441	30	20	HKED	
C=CCCO[C@H](C)c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1	546460377	ALOMWJLMKSHYAS-CYBMUJFWSA-N	405.376	5.596	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)c1nc(-c2cc(Cl)ccc2OCC(F)(F)F)no1	547179871	XYMIEONFTYVJQZ-LLVKDONJSA-N	423.778	5.343	30	20	HKED	
N#Cc1ccccc1NC(=O)CCN1CCCC[C@@H]1c1ccccc1C(F)(F)F	550629138	QBRCORBHYADGJI-HXUWFJFHSA-N	401.432	5.133	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCC(C)(C)CCC#N)cc12	554098830	FYHGLFCWLPFDAB-UHFFFAOYSA-N	400.935	5.109	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	554460913	SRGBTBJNRSCTCE-NSHDSACASA-N	424.492	5.007	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc1	555052567	CEQUDOJGRUAOMQ-UHFFFAOYSA-N	419.460	5.148	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cccc1-c1ccccn1	555444343	NCMZINVSKIKZCC-OAQYLSRUSA-N	420.497	5.542	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3nc4ccccc4cc3Cl)s2)cc1	558481299	KLCBVNNGUBUVNY-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(Cl)c2-n2cccn2)c2ccccc21	559823531	ZMWGIAYZLAXHCR-UHFFFAOYSA-N	403.873	5.036	30	20	HKED	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)o1	562108265	DQHZPSBRVAJSLS-OPAMFIHVSA-N	416.481	5.652	30	20	HKED	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	562132263	MXCVPWIKFDBDGC-IIBYNOLFSA-N	424.932	5.094	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(OCC(F)F)c3)c2)cc1	565615302	WZLFCQNGSKEKGE-UHFFFAOYSA-N	423.419	5.316	30	20	HKED	
CC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	574515465	CRKDBLDDZNYMRM-LBPRGKRZSA-N	405.262	5.403	30	20	HKED	
N#CCCC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1	577638565	UHORYDJCNRECOS-AREMUKBSSA-N	424.523	6.203	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccs1	580885694	TZSSGZTZYPTIBP-ZJOUEHCJSA-N	406.555	5.112	30	20	HKED	
C=CCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1	584807631	IFAQBCYZLYGJAD-KRWDZBQOSA-N	407.568	5.068	30	20	HKED	
CC(C)(c1noc([C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1)c1ccccc1Cl	589151265	BEAJDADGURHLBF-OAHLLOKOSA-N	410.880	5.054	30	20	HKED	
COc1ccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	603759220	YIJVEPYSEBWMJW-ZHRRBRCNSA-N	420.896	5.410	30	20	HKED	
N#Cc1c(NC(=O)c2ccccc2Oc2cccnc2)sc2c1CCCCCC2	604523289	VOKFYFQHOXQCQN-UHFFFAOYSA-N	403.507	5.718	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OC1CCC1)c1nc(-c2c(F)cccc2F)cs1	605362748	QZPRGGICRAYNBF-OAHLLOKOSA-N	410.445	5.510	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1	608802697	OHOAAHKJLUOYNL-UHFFFAOYSA-N	418.783	5.237	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)nc1	609505044	DZIPSNOQDYAIIJ-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1C	610053501	ILUUFHYKHYAPJX-GOSISDBHSA-N	416.525	5.064	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)c1ccccc1C(F)(F)F	610240105	XRWFDJQSGAZGLP-BONVTDFDSA-N	401.215	5.497	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)Sc1ccccc1	610321015	CMWMJRBXAABELP-INIZCTEOSA-N	404.495	5.048	30	20	HKED	
CSc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccn1	611246607	DQGJHABECCJQAV-UHFFFAOYSA-N	406.486	5.049	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2oc3ccccc3c2CSc2ccccc2F)C1	612234018	YJOADWFWQOTRJB-QHCPKHFHSA-N	408.498	5.630	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	613318859	HAEURYHKJKUBLW-MRXNPFEDSA-N	421.934	6.077	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc2ncsc2c1	614423649	CABXQCUTQAMAIS-CQSZACIVSA-N	415.478	5.238	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1ccc(C#N)c(Cl)c1	619786450	BESVUKAAPNMDOW-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12	673237652	RMANKPDTCNPYTR-COLVAYQJSA-N	422.344	5.422	30	20	HKED	
CC(C)[C@@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	727233108	FXTLYZWCVKDGMI-HNAYVOBHSA-N	400.956	5.943	30	20	HKED	
COc1cc(C=NOCc2ncc(-c3ccc(Cl)cc3)o2)ccc1OC(C)C	727478018	YIRIKAHKEPLZQW-UHFFFAOYSA-N	400.862	5.342	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cccc(O[C@H](C)C(=O)O)c2)CC3)cc1	727654269	KHDPAMHRCJBRNB-GYZOOYGHSA-N	419.502	5.183	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2cc(F)ccc2Br)cc1OC	729673740	DYOKLQZFHWBNLO-UHFFFAOYSA-N	416.674	5.200	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)CCC3)cc1	731679048	VMIDREIVPZRZCN-IERDGZPVSA-N	419.550	5.277	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	733622693	XOJHDYWWEHMAMF-IZZNHLLZSA-N	409.533	5.890	30	20	HKED	
C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccccc2s1	734117324	NULBQWKMPORQQK-MRXNPFEDSA-N	413.502	5.238	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)n1cccc1	735207943	UPRIQAWQMDKRDW-SWLSCSKDSA-N	404.322	5.746	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@H](c3ccccc3)C3CCOCC3)c2)cc1	737854722	LFNMYNKQNBLNQL-RUZDIDTESA-N	411.505	5.200	30	20	HKED	
Clc1ccc(Cl)c(C=NNc2nc(-c3ccccn3)nc3c2CCC3)c1Cl	741813982	ZTCVDCIJKSLIDF-UHFFFAOYSA-N	418.715	5.434	30	20	HKED	
N#Cc1ccc(F)c(CNCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1	742381881	QBIAAPAHVTYAIQ-UHFFFAOYSA-N	416.887	5.493	30	20	HKED	
N#Cc1ccccc1COc1cccc([C@H]2NC(=O)c3sc4ccccc4c3N2)c1	742443863	RGPYBXJFKHKATO-HSZRJFAPSA-N	411.486	5.206	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(C3CCCC3)nc2C)cc1	744027956	FNTOGQDXKFURLL-LJQANCHMSA-N	409.555	5.413	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1	744032853	ISZMHDQFHDPSKY-BSODZPPDSA-N	409.555	5.315	30	20	HKED	
C=CCN1CCC(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1	746229721	SJERLWWAIVSUQM-UHFFFAOYSA-N	424.544	5.314	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1	747108844	KSCOJJYFCIRAKV-SKDRFNHKSA-N	413.663	5.237	30	20	HKED	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CC#N)C2CC2)c1=S	747789529	HAHVDEQGYHJQOM-CVYDXHPNSA-N	413.616	5.085	30	20	HKED	
C=CC1CCN(C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC1	749388569	QVANAJQSPWXLII-UHFFFAOYSA-N	422.326	5.098	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccc(F)cc4)CC3)cn2)cc1	752638286	ODAGDCRNLAMERY-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1C#N	752765246	MDSFZKYKNKFRQE-UHFFFAOYSA-N	416.506	5.603	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cccc2)nc1	753220902	KPXMKHCORJPVBS-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	760786817	XUDXGJQKQYXKKH-YADHBBJMSA-N	416.452	5.049	30	20	HKED	
COC(=O)Nc1cc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc(C(F)(F)F)c1	764248536	KOLSRGQLTUKQAI-UHFFFAOYSA-N	424.272	5.294	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c(F)c2)cs1	765612893	MFSLJPJLOAVMSJ-WEVVVXLNSA-N	418.852	5.655	30	20	HKED	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccccc1Sc1ccccc1C#N	766722324	MTRUWBUKCQZZKO-IIBYNOLFSA-N	420.509	5.091	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1	772235312	DEQXCFXWLMVCNU-CAOCKLPOSA-N	411.505	5.241	30	20	HKED	
Cc1sc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)nc1-c1ccc(Cl)cc1	776162939	CIMRDNWDBRMWRH-GJZGRUSLSA-N	411.958	6.086	30	20	HKED	
CC(=O)Nc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1	777476956	QGMNWODEUNQMBZ-UHFFFAOYSA-N	402.479	5.118	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CC=C(c2ccc(Cl)nc2)CC1	778075758	WONUOWXHYSIJKJ-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1)c1nc2cc(F)ccc2s1	780359758	YVUMHDNMOZSDDJ-IBGZPJMESA-N	402.450	5.358	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1	780535494	ONIQWQOMHRVMIC-MRXNPFEDSA-N	418.522	5.246	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	780577359	ALWGFUDMNDVGFW-CYBMUJFWSA-N	414.437	5.108	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1(C)C	781447047	BRFAVCUMZBHCKR-KCXAZCMYSA-N	400.931	5.281	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1	786105153	NMTLXRRCKCFDIO-CYBMUJFWSA-N	410.380	5.087	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1	787034586	ALRUNULONYJNDX-PKOBYXMFSA-N	406.869	5.190	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	790843191	QZQMEYDDMIEDRP-UHFFFAOYSA-N	415.833	5.169	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)cc1	795205990	TVMLGDPYGKWMJQ-NHCUHLMSSA-N	410.395	5.033	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCC45CCOCC5)c23)cc1	799872938	ZXUGJAVLXMDSAK-UHFFFAOYSA-N	408.527	5.116	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F	806400079	BZVDZMXQZLLVHS-HUUCEWRRSA-N	405.420	5.091	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	814622306	KHLABDZEZOQUKY-OAQYLSRUSA-N	408.502	5.448	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1	915084980	CGABGXFXUWGBRJ-NRFANRHFSA-N	410.395	5.535	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2sccc2Br)ccc1OC(F)F	915113410	OONJQIBCCDJMQP-HWKANZROSA-N	403.244	5.407	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccncc2)ccc1OCCOc1ccc(C)cc1	916136053	FMMQSUIFRXXMMR-UXBLZVDNSA-N	403.478	5.143	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)ccc2c1	917026130	WUVMFTUTQJYXFC-DTDSUUGDSA-N	410.498	5.862	30	20	HKED	
N#Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1	917030142	GDGDPTMXDRHQIJ-DLBGWLJESA-N	415.562	5.292	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(Cc2ccc(OC)cc2)[C@H](C)C2CC2)c1=S	919945977	VDLDAMNETATFAV-QGZVFWFLSA-N	424.570	5.127	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)c2cc(O)nc3cc(F)ccc23)cc1	1543197258	VAGHJJFJMFHXKR-UHFFFAOYSA-N	415.449	5.355	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCc3cccs3)cc2)CCC1	1786950661	RIPPASJEWQENEL-UHFFFAOYSA-N	408.567	5.008	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1	1787887676	PXYQJDLIYLUPMX-UHFFFAOYSA-N	421.497	5.092	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4F)cc3)CCC2)C1	1790069074	NXANWFQOGQRBBW-UHFFFAOYSA-N	417.484	5.021	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1	1791250370	QAJNEOGPRHFRDK-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2F)CC1	1829877454	JQQSRFNAPKLXSI-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1	1831576944	JMMLSJIQZXIDCC-QFIPXVFZSA-N	402.623	5.016	30	20	HKED	
C=CCN(C(=O)c1cc(C)nc2c1cnn2C(C)C)c1nc(-c2ccccc2)cs1	10962319	PHFXFBHSJRHXFV-UHFFFAOYSA-N	417.538	5.277	30	20	HKED	
COc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccc(Cl)cc1	15029123	MYNHZCZPNLSGGV-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
O=C1N/C(=N\C2CCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1	20987465	WJZNRVOEFMJKNB-QNGOZBTKSA-N	414.534	5.042	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C	22132639	ODEOIDMZBMKKPY-NPQOUYBPSA-N	405.523	5.098	30	20	HKED	
C=CCn1c(-c2sc(NC(=O)c3csc4ccccc34)nc2C)n[nH]c1=S	25575840	OWNDCOZHRUFADF-UHFFFAOYSA-N	413.553	5.026	30	20	HKED	
COc1c(C)cnc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C	58646534	KKHWGRUVIMRNRG-UHFFFAOYSA-N	416.481	5.035	30	20	HKED	
CC(C)CCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccccc21	60384594	VTAUFZFBLXFNRL-UHFFFAOYSA-N	424.595	5.429	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sccc2OC(F)F)cc1Cl	78499138	KJVUALFVRYRWBK-OAHLLOKOSA-N	418.852	5.911	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1	111018929	BENKEHKDTJAZMP-UHFFFAOYSA-N	402.281	5.434	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2cccs2)nc1N1CCC[C@H]1c1cccs1	302741351	CVKPQVFDXMGYRW-ROUUACIJSA-N	406.580	5.759	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](c2ccccc2)O1	303315859	GRYQNQCQYKEEAX-MHECFPHRSA-N	413.477	5.344	30	20	HKED	
C=CCC[C@@H](C(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1)c1ccccc1	427778846	KBANMRXHACRCLS-JOCHJYFZSA-N	424.610	5.341	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccnc(OC2CCCCC2)c1)c1ccccc1	431870347	SQCYPBIORUCZSH-JOCHJYFZSA-N	406.530	5.027	30	20	HKED	
CN(C(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(Oc2ccccc2)cc1	432524243	BLFPPLZTEORDKM-UHFFFAOYSA-N	413.477	5.122	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c12	436372901	YMSACTNAWACONV-JTHBVZDNSA-N	422.488	5.110	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	437605005	RQDCOKORHXXZMJ-NHCUHLMSSA-N	417.509	5.422	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1	438896563	NGYJNPJDZSSJSS-UHFFFAOYSA-N	409.917	5.177	30	20	HKED	
CCCc1c(NC(=O)CCCc2c[nH]c3ccccc23)cnn1-c1cccc(C#N)c1	440094436	VLWXJNLKSWNEAA-UHFFFAOYSA-N	411.509	5.139	30	20	HKED	
C[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1ccc(OCc2ccc(F)cc2)cc1	441030137	ZJEXRHBYFIQYDD-LMDPOFIKSA-N	409.505	5.095	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1C	441301349	JHFKONCYUDITBB-GFCCVEGCSA-N	418.143	5.429	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ncoc3-c3ccccc3Cl)n2)cc1	442684883	TXNKJSSESGILJV-MRXNPFEDSA-N	419.893	5.917	30	20	HKED	
Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	444390150	SQQLDSNOTDOSED-IAGOWNOFSA-N	419.554	5.315	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3ccc(C)o3)s2)c1C#N	445562821	GOSQZTMQIQTGAY-UHFFFAOYSA-N	420.519	5.348	30	20	HKED	
C=CCn1c(S[C@H](C)c2noc(-c3ccccc3)n2)nnc1-c1cccc(OC)c1	446063300	UMXWKZNIHWWPGC-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
Cc1sc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nc1C(C)C	447478561	BZJRWYPXLHVCKM-UHFFFAOYSA-N	423.513	5.346	30	20	HKED	
C=CCN(C(=O)c1ccc2c(c1)CCCCC2=O)c1nc(-c2ccccc2)cs1	463109340	QNEAVRWWTJYXKQ-UHFFFAOYSA-N	402.519	5.552	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)coc12	464416191	HACHJUGDTQQGKR-CYBMUJFWSA-N	423.188	5.408	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc2s1	464416535	IVORILUOVGWDAE-NSHDSACASA-N	424.473	5.108	30	20	HKED	
Cc1cc([C@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2Cl)ccc1F	466081940	FKKWTNDMILRTJK-QHCPKHFHSA-N	421.903	5.590	30	20	HKED	
C[C@@H](N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1	467633363	CAGDKIOFTUOCBB-ZIAGYGMSSA-N	401.457	6.112	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)CCC[C@]12CCCCO2	468634949	KEKAQXFMMFCICJ-JTHBVZDNSA-N	412.892	5.214	30	20	HKED	
C=CCn1c(S[C@@H](CC)c2ccc(Br)cc2)nnc1-c1cccnc1	471258952	SJRJZOSHIKEIMU-KRWDZBQOSA-N	415.360	5.532	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c12	474421410	MDZJQTYFJBWAEP-MRXNPFEDSA-N	421.570	5.442	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC(F)F)c1	474965327	JJOPUJRGSMHYBZ-LBPRGKRZSA-N	408.813	5.050	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCN(Cc2ccccc2)C1	475012296	CXDVFYPJPRIRBJ-FPOVZHCZSA-N	422.598	5.209	30	20	HKED	
N#CCCCOc1cccc(N[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1	475753993	IPLJWODPIYKTGD-QHCPKHFHSA-N	410.477	5.621	30	20	HKED	
COc1ccc(C(C)(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	480522262	MKWTYEGAZNRAHT-UHFFFAOYSA-N	414.505	5.257	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](CCC#N)c1ccccc1	482561292	KTQGYFZWMAIBAQ-NRFANRHFSA-N	409.331	5.078	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	483124751	HIVWHXKZMSWEJG-GFCCVEGCSA-N	417.308	6.071	30	20	HKED	
C=CCC[C@@H](C(=O)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1)c1ccccc1	488631709	PSXVQWWVFJUIJG-AUSIDOKSSA-N	407.558	5.488	30	20	HKED	
C=CC[C@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1	489002837	AIBIPMYCJINHFA-DEOSSOPVSA-N	419.546	5.100	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	494635224	IZQWJLOOXVGAAG-SKDRFNHKSA-N	422.316	5.312	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2cccnc2)cc1	496545981	ARYOJBDCCDZNCD-HSZRJFAPSA-N	406.913	5.552	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N(C)CC(C)(C)C#N)c2nc3ccccc3s2)c1	497260992	KZKWIWUBTWWPMI-PDGQHHTCSA-N	419.550	5.244	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1	498136084	OFGYDNNCGHJEEG-GOSISDBHSA-N	412.530	5.111	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccc(C(F)(F)F)cc1	503720044	DOZKLXIWWUEGHK-MRXNPFEDSA-N	424.536	5.365	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CCC#N)CCC(C)C)c3cnn(C(C)C)c3n2)c(C)o1	505214188	XMDTZZASUGNDHX-UHFFFAOYSA-N	421.545	5.291	30	20	HKED	
N#C[C@@H](NC(=O)c1occc1CSc1ccccc1)c1ccc(Cl)c(Cl)c1	505949360	SZKCAFVRRMSAHM-GOSISDBHSA-N	417.317	5.873	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1cccc(OCc2ccccn2)c1	507657365	CFOHKZVXVGGKMV-SKAWFLRFSA-N	411.549	5.715	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2c(F)cccc2F)cc1	508251051	KRRLNUBOAFWLMU-UHFFFAOYSA-N	423.419	5.002	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5o4)cc3)o2)c1	509539240	IAIWJEWDFZLYCI-LJQANCHMSA-N	420.428	5.343	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1	512720098	IIOFBCSEMFBPRE-AREMUKBSSA-N	415.537	5.686	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)[C@H](C)c1nnc(-c2ccccc2)o1	513818976	NMFCPNHFFYNESE-CQSZACIVSA-N	416.294	5.387	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(F)(F)F)nc1C	515171361	CGOGOXCWLUSWHN-UHFFFAOYSA-N	412.371	5.029	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	515510391	PZLOFQVGNFIKLM-UHFFFAOYSA-N	421.547	5.258	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(C[C@H]3CCOC3)C3CC3)cc2Cl)cc1	515799848	CODIJXLXELTGOV-MRXNPFEDSA-N	411.889	5.037	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)cc2)cc1	518372573	DYKHEDVCZBYWQA-UHFFFAOYSA-N	412.424	5.122	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C	519181083	WGYZEUWIPUKGRF-CQSZACIVSA-N	424.501	5.411	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1	525320290	DBLZUZQJDAPGIS-AWEZNQCLSA-N	401.919	5.515	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2)cc1	525427778	NOEDUIODBVGLTO-LJQANCHMSA-N	406.367	5.206	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccccc2)cc1	532059383	WSDKQRLLXPJFCD-UHFFFAOYSA-N	408.461	5.610	30	20	HKED	
N#CCCCOc1cccc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)c1	532743532	SBTDRHZZKWLDNV-GDLZYMKVSA-N	404.535	5.289	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1-c1ccccc1OC	535262459	SCXSJAZHVQRZQS-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
COc1ccc(CN(C)[C@H](C)c2sc(C(C)C)nc2C)cc1OCCCC#N	536710152	LPNUXGBHCLVRTQ-QGZVFWFLSA-N	401.576	5.459	30	20	HKED	
COc1ccc(C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2ccccc2)cc1OC	537408201	YVTWTBCJSFBUTF-SBUREZEXSA-N	404.485	5.349	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Cl)sc1Cl	537848514	GIXMIZULKTUGJK-SNVBAGLBSA-N	400.356	5.771	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1	540456748	PAVDVVDWDLCSFP-XMMPIXPASA-N	419.594	6.242	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)nn1[C@@H](C)C1CC1	541298080	COMSQWDISMAVBQ-INIZCTEOSA-N	402.523	5.438	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc4c(c3)COC4)cc2Cl)cc1	541609848	AXXCWSGRDGFXPJ-UHFFFAOYSA-N	404.853	5.215	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(Cc4ccccc4)c3)n2)cc1	542877358	RDTYMFSXQYESIN-NRFANRHFSA-N	408.486	5.022	30	20	HKED	
CCc1cc(O)nc(-c2ccc(N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc2)n1	543897642	QMBFZTQWUQKFQB-KRWDZBQOSA-N	421.504	5.518	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1	562086883	LEJSBTILUOPBGT-KRWDZBQOSA-N	415.459	5.918	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2ccccc2)[C@H]1C	577544683	AEXIYVYOQLONAO-QUCCMNQESA-N	420.582	5.147	30	20	HKED	
COc1cc(CN[C@@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)ccc1C#N	582271371	WZJLTFFTDRKXBY-ZDUSSCGKSA-N	415.324	5.219	30	20	HKED	
N#Cc1ccc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c(C(F)(F)F)c1	589509543	XSSUOMWRKLFHSY-OAQYLSRUSA-N	409.411	5.047	30	20	HKED	
CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(I)cc1	590256877	CPUYRIFQASKTSW-VQTJNVASSA-N	418.322	5.767	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	603921049	MBKZTBYUKIWMIO-UHFFFAOYSA-N	422.488	5.283	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)s1	604028731	NTGAGIKVHFOFNY-UHFFFAOYSA-N	414.490	5.460	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Nc1ccccc1COc1ccccc1	604090101	HYRVCNDAQBMDHM-UHFFFAOYSA-N	417.534	5.192	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2Cl)cc1	604090421	YKOPJNYFBNIMBK-FQEVSTJZSA-N	423.925	6.434	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3cc4sccc4s3)s2)cc1	604170815	HHBQTUFMTDEKAO-UHFFFAOYSA-N	414.562	5.231	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	604387901	IKFFNPNGYULHJM-HOYKHHGWSA-N	416.496	5.575	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609055148	QWNMQYWOIGFBLT-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
Cc1cccc(Cc2sc(NC(=O)c3cc4ccccc4n3CC#N)nc2C)c1	609165534	ZPAJDFSCLINUPE-UHFFFAOYSA-N	400.507	5.081	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cc(Br)cs1	609398209	KKVXVSFFZRKMDU-LBPRGKRZSA-N	424.389	5.426	30	20	HKED	
CC1CCC(OC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)CC1	609402848	CYUMPEBDBPMWKJ-JLAWEPINSA-N	415.603	5.530	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1Cl	609558667	XPRJNEPACDPCIW-HXUWFJFHSA-N	413.864	5.903	30	20	HKED	
N#Cc1ccc([C@H](Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)C(N)=O)cc1	609676461	BRVZZENHYGVAHH-FQEVSTJZSA-N	411.383	5.008	30	20	HKED	
CCN(CC)C(=O)[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	609709024	KMGZWEPVAWLYBN-RUZDIDTESA-N	413.521	5.159	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NCC2(c3cccs3)CCCCC2)c1	610048812	HEAPHFUYTOGINW-UHFFFAOYSA-N	420.534	5.424	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OCC3CC3)c2)cc1	610123575	RIUVQSOALJHDBA-UHFFFAOYSA-N	416.452	5.317	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c(Cl)c1	611092971	PDMJLSREUQLDRR-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	613290926	PFAGXDSLACYHCA-OAQYLSRUSA-N	405.457	5.286	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)c4c(c3)OCCCO4)n2)cc1	613315621	RZZCRNXOZPRJSD-MRXNPFEDSA-N	424.909	5.423	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)c1cn(CCCC#N)c2ccccc12	618208238	VJEXDCIKWBZSJO-HSZRJFAPSA-N	401.510	5.321	30	20	HKED	
C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	619755441	JOSFWEINGQUXQK-HNAYVOBHSA-N	402.897	5.149	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1C	669601492	IBSFQKUSOZAORI-JTQLQIEISA-N	409.305	5.366	30	20	HKED	
COc1cc(F)c([C@H](C)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC	675737854	KDCNCZZKJFPKRI-DCAQKATOSA-N	417.365	5.403	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)nn1-c1ccc(Cl)c(Cl)c1	679088238	ARCMIGPSYPYTFY-MRXNPFEDSA-N	421.287	5.526	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F	685095877	FZQDFGGCQUUOEO-OAHLLOKOSA-N	408.420	5.245	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(SCc3cccnc3)cc2)cc1Cl	726449516	IBSWBEPPNCLSIO-UHFFFAOYSA-N	410.955	5.708	30	20	HKED	
C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1Cl	727491249	LIOSRSWSVGFTRL-OQLLNIDSSA-N	423.346	5.359	30	20	HKED	
C=CCn1c(C)cc(C(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)c1C	727563327	MKAMVLAGILSLDK-UHFFFAOYSA-N	414.914	5.108	30	20	HKED	
C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1csc2ccccc12	730029052	DYCBGNWWJICWCX-INIZCTEOSA-N	405.523	5.087	30	20	HKED	
CN(CCc1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	731753232	FRBJRISAFOZKAY-NRFANRHFSA-N	421.903	5.841	30	20	HKED	
Cc1cc(C(=O)Nc2cc(Br)ccc2F)c(C)n1-c1ccc(C#N)cc1	732060970	WQTOBFPDVDZSHM-UHFFFAOYSA-N	412.262	5.120	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)o1	732769845	PXCWEHIRKQXCKQ-PWSUYJOCSA-N	423.325	5.051	30	20	HKED	
C=CCn1c(COc2ccccc2F)nn(CN2[C@H]3CC[C@H]2c2ccccc23)c1=S	739880682	UHWSRMZJMOLAQM-PMACEKPBSA-N	422.529	5.167	30	20	HKED	
CC(C)OCc1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	740443037	IQQWTEJRIQMALD-UHFFFAOYSA-N	405.523	5.533	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)cc1	741059305	PJDQKCMHSOJKKR-JOCHJYFZSA-N	401.897	5.806	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036569	CRUXZRJRUCLJFQ-CZUORRHYSA-N	400.425	5.809	30	20	HKED	
CCCCOc1ccc(C=NO[C@@H](C)c2nc(-c3cccs3)no2)cc1OC	744443736	NLUWPDKEUSNFCL-AWEZNQCLSA-N	401.488	5.097	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)Nc1cccc(OCCCC#N)c1	754470272	AWMDUABZFQVZEB-UHFFFAOYSA-N	424.501	5.669	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2C#N)c(Cl)c1	758122184	NVOBSFYOUNQXQX-GFCCVEGCSA-N	424.806	5.031	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C(C)=C/c1ccc(Cl)cc1	759208400	YDJGRZGISGGMKD-WDBUWWRISA-N	417.292	5.061	30	20	HKED	
N#CCOc1cccc(CC(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c1	760539415	ZATAHZFYZFELFD-XMMPIXPASA-N	416.908	5.111	30	20	HKED	
N#C[C@@H](C(=O)CCCn1ccc2cc(Cl)ccc21)c1nc(-c2ccncc2)cs1	760971548	ALRAZMHSCOYASZ-SFHVURJKSA-N	420.925	5.470	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1F	762314105	SHYJXWGXJIWGIB-DEOSSOPVSA-N	418.443	5.026	30	20	HKED	
COc1ccc(-c2noc([C@H](C)SCc3cc(Cl)ccc3OCC#N)n2)cc1	768499678	BMLZTNNEQMTVRL-ZDUSSCGKSA-N	415.902	5.295	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)cc1Br	768781666	WZRCMOOPQLNNOE-SFHVURJKSA-N	421.294	5.180	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(OC)ccc3nc2C)cc1	770105414	BLAXGVUBVUISRF-QRQCRPRQSA-N	415.493	5.027	30	20	HKED	
COc1ccc2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2c1	770105589	FDRVWJZKCUMLDY-HXUWFJFHSA-N	413.502	5.474	30	20	HKED	
CCCN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	770118808	KIIKDNOLMFSOSE-HXUWFJFHSA-N	400.507	5.018	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1	772984348	NCUYKHXAHSWLOG-UTKZUKDTSA-N	405.567	5.959	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(SC3CCCC3)cc2)ccc1OC	772987790	XCVAYNSAKIPRPP-RXVVDRJESA-N	424.610	6.262	30	20	HKED	
N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1	773762528	KVSDAXJNIKUCDB-NRFANRHFSA-N	420.921	5.130	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1	778210155	FZSHMRIHAFAZQN-UZLBHIALSA-N	400.906	5.191	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c12	780153316	WWUJTNXGTCDLDR-CQSZACIVSA-N	416.437	5.149	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1CN1CCc2ccccc21	780508772	BMIOPWLQGQBQIP-SFHVURJKSA-N	412.493	5.184	30	20	HKED	
Cc1ccc(-n2c(-c3ccc(F)cc3)nn(CN3CCC(CC#N)CC3)c2=S)cc1	781572587	TUILWAGYBAUUBL-UHFFFAOYSA-N	421.545	5.101	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1cc(F)ccc1C#N	782423039	LEUIYYVJEXGFOB-UHFFFAOYSA-N	404.319	5.037	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nccc2ccccc12	792098017	ZVLMTACGFYHFNY-CYXNTTPDSA-N	418.496	5.794	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)CCCCCC#N	805889614	HZKGFBNTHXCSKG-CQSZACIVSA-N	421.360	5.959	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NOC3CCCCC3)s2)c(C(F)(F)F)c1	806793589	SIIGRUQPLDQEJB-UHFFFAOYSA-N	424.448	5.010	30	20	HKED	
COc1cc2c(cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)oc1ccccc12	807926416	RTINSBXCLXMTDU-UHFFFAOYSA-N	402.425	5.522	30	20	HKED	
CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1cc(Br)ncc1F	811694046	PECDXXDAONWHIS-VEQVDCDKSA-N	412.205	5.427	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C	812185849	DLKZHKPETYNNES-AWEZNQCLSA-N	416.982	5.094	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1	813215410	XZBGLQAMLQBOCJ-LSDHHAIUSA-N	400.322	5.489	30	20	HKED	
Cc1sc(C2(N[C@H](C)c3ccc(OCC#N)cc3)CCC2)nc1-c1ccccc1F	815660162	SWIQAPALAXGWOI-MRXNPFEDSA-N	421.541	5.890	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1	828597585	JAWVCVKRBWEVEW-FCHUYYIVSA-N	403.551	5.265	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)cc1)Nc1ccccc1	916127935	PBCVNYFSDHQLFZ-OVCLIPMQSA-N	423.415	5.202	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	916848988	QQJZWUCPZQAGOZ-FQEVSTJZSA-N	412.518	5.006	30	20	HKED	
CCCCc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916886126	FDRXPCDMKSQZCC-IBGZPJMESA-N	416.493	5.234	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(SC(F)(F)F)cc1	916903158	LIVBCYMVFSYBJV-QGZVFWFLSA-N	420.456	5.384	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccccc3)n2)cc1	916956404	ZZEYLDDGDBCLNV-IIBYNOLFSA-N	417.534	5.214	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3sccc3OCC)cc2)CCC1	1785773794	YODMMFHEODYNOD-MRXNPFEDSA-N	412.555	5.107	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2S[C@H](C)C#N)cc1	8750841	NTOVVWRPJPHIPQ-CCOVPTLTSA-N	416.333	5.691	30	20	HKED	
Cc1ccc(C(=O)/C(=C(\S)Nc2c(C)cccc2C)[n+]2ccc(N(C)C)cc2)s1	22694004	SVQARIWTHJMIHF-UHFFFAOYSA-O	424.615	5.078	30	20	HKED	
N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccn1	41493375	DQSLYCBRDZGZAL-HXUWFJFHSA-N	412.880	5.137	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccccc1COCc1ccccc1	46150215	HBHZLVDWOIGSOK-UHFFFAOYSA-N	406.551	5.363	30	20	HKED	
COc1ccccc1-c1nc(CNc2ccccc2Oc2ncccc2C#N)cs1	55844386	WLIFMULUTQEIAV-UHFFFAOYSA-N	414.490	5.490	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)oc2ccc(Cl)cc12	59265050	WFSMHEZSZISKHN-UHFFFAOYSA-N	406.791	5.471	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)Cc3ccco3)cc12	60626240	AACJXUMVRCSRNS-UHFFFAOYSA-N	424.913	5.198	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nccn2Cc2ccccc2)cc1	64248190	JXBGZRYEZVJWAJ-UHFFFAOYSA-N	410.496	5.145	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)oc2ccc(Cl)cc12	107567427	JFNUDQVAHGPFGO-UHFFFAOYSA-N	408.763	5.460	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc(COC2CCOCC2)cc1	301802190	SVZGWTJLGWTKJQ-UHFFFAOYSA-N	407.901	5.068	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1	303437954	GSLXLCUQVBLXGK-SFHVURJKSA-N	422.529	5.371	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccccc3F)C3CC3)c2)cc1	303571267	BNRUOZJEDCDGHW-UHFFFAOYSA-N	400.453	5.081	30	20	HKED	
FC(F)(F)c1cccc([C@H](NCc2ncccc2C(F)(F)F)C(F)(F)F)c1	429339202	ZRYKLEIAQBAOHH-ZDUSSCGKSA-N	402.260	5.512	30	20	HKED	
COCCN(C(=O)c1cccc(SCC#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1	429931241	WJXRXWDYMMTQKU-HNNXBMFYSA-N	422.472	5.171	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)nnc1C1CC1	430202110	FFRNKJOFYSRFEW-LJQANCHMSA-N	415.522	5.273	30	20	HKED	
CCSc1nccnc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	430417991	NFOWKZAMQBSTHR-QGZVFWFLSA-N	408.914	5.150	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2ncc(C#N)cc2Cl)c(C(F)(F)F)c1	431570311	MEJCDLPVFVUASM-SNVBAGLBSA-N	413.852	5.768	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cccc1-c1ncco1	432756550	YUCQQHGLRCLTEZ-UHFFFAOYSA-N	410.433	5.958	30	20	HKED	
CC(C)[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nc(C2CC2)no1	444684794	OGGZAUVDMYGHSB-JOCHJYFZSA-N	400.526	5.134	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccoc2Br)cc1Cl	445202325	FOOWYCLNACRVCP-INIZCTEOSA-N	415.674	5.603	30	20	HKED	
CC[C@H](N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(C#N)cc1	447537399	VOXDHPKFYNJGNA-MBSDFSHPSA-N	401.510	5.343	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H](C)c1cccs1	460784123	NACLOMUBCKZACJ-MRXNPFEDSA-N	414.600	5.414	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12	462205534	FSXAMIZBHCNOSI-HNNXBMFYSA-N	408.933	5.030	30	20	HKED	
C=CCOc1ccccc1CNc1ccc(CCn2cc(Br)cn2)cc1	462769892	SGRYTHVLKAXYDB-UHFFFAOYSA-N	412.331	5.065	30	20	HKED	
COc1ccc(CN(C(=O)[C@H](C)c2cccc(C#N)c2)C2CCCCC2)cc1OC	463308985	SCSUWPKFUBGJSD-GOSISDBHSA-N	406.526	5.040	30	20	HKED	
COc1ccc(-c2n[nH]cc2C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	464531826	YCEQGQPZOVJFLQ-SFHVURJKSA-N	414.490	5.007	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1	471164606	HVQLGMYMGNHNGG-UHFFFAOYSA-N	410.301	5.105	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(-c2ccncc2)cc1	472729088	QIBYJHDDSIDMTH-CQSZACIVSA-N	408.408	5.104	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1	475551281	XUYGYJXQGGOBJN-NOZRDPDXSA-N	414.553	5.785	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(OC)cc2)CCOCC1	475572643	PYJUYKYCHOTJTC-UHFFFAOYSA-N	422.569	5.417	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCC1)c1ccccc1	477938540	KPHUDKQKCIYGDM-UWJYYQICSA-N	421.566	5.067	30	20	HKED	
N#Cc1ccc(CSc2nnc(SCc3ccc(C#N)c(F)c3)s2)cc1F	478551290	IALMYQVWKMDSQZ-UHFFFAOYSA-N	416.503	5.144	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(Cc2cccc(F)c2)CCC1	481411815	KNZQIVQKTLRWQW-UHFFFAOYSA-N	415.468	5.545	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C)c1ccc(F)c(F)c1	483309391	OMLZBRPDGJJRBY-TZIWHRDSSA-N	402.489	5.249	30	20	HKED	
C[C@@H](CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1c[nH]c2ccccc12	486123903	FRDIGMFUWZUBPE-AWEZNQCLSA-N	403.873	5.011	30	20	HKED	
N#C[C@@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc2ccccc2n1C(F)F	499600855	PTYKMEXTVJYJFA-HNNXBMFYSA-N	422.460	5.163	30	20	HKED	
C[C@@H](Cc1cccc(O)c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	506279166	JFFYXCDFOVBBHA-AOMKIAJQSA-N	419.912	5.454	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccco1)C(C)C	509996196	FLBUAROSDIEMGZ-UHFFFAOYSA-N	403.482	5.481	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc(OC)c1C(C)C	511596702	HLQYZGUWNJVZEX-HNNXBMFYSA-N	407.297	5.129	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(Cl)s2)n1)[C@H](C)c1ccc(C#N)cc1	512798398	VZVSSYUGUPAIGL-GFCCVEGCSA-N	401.944	5.620	30	20	HKED	
COc1ccc(CN(C(=O)NCC(C)(C)CCC#N)[C@@H]2CCCC[C@@H]2C)cc1OC	513124951	YPAMHCVZHXEELH-AZUAARDMSA-N	415.578	5.124	30	20	HKED	
Cc1ccccc1C[C@H]1CCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	514174043	JELDKTYKMGHOKU-PZJWPPBQSA-N	407.583	5.035	30	20	HKED	
C=CCN(C(=O)c1cnc(-c2ccccc2)s1)c1nc(-c2ccccc2)cs1	515284803	PLRCSDLFPAJTKF-UHFFFAOYSA-N	403.532	5.766	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518753428	NAGAQJIVMPVORQ-UHFFFAOYSA-N	410.477	5.666	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	518919136	HMHUOXRLZQWHFR-QGZVFWFLSA-N	401.466	5.024	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2)cc1	519054228	HFCGHCKVIWVDDU-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519977398	KVAJBBQLRIQQPO-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1	520725058	BNDDALBGJRSGHV-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
N#CCN(C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)C1CCCC1	524583402	YJEUVIJNMIPERM-UHFFFAOYSA-N	413.477	5.575	30	20	HKED	
C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1	538176068	RSUKCYBNHMEQKD-SFHVURJKSA-N	415.512	5.730	30	20	HKED	
COC(=O)c1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F	538319885	FCRIUPGHMLJAPP-HNNXBMFYSA-N	409.301	5.024	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1	539467073	UVQYIKCAVCKHAH-WBVHZDCISA-N	402.926	5.024	30	20	HKED	
C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	541155965	HCQHRLSYLPUOQV-CLOONOSVSA-N	411.505	5.069	30	20	HKED	
Cc1noc(-c2ccccc2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542003504	SFFPPGOGALRXKT-MRXNPFEDSA-N	408.461	5.075	30	20	HKED	
COc1ccc([C@H](NC(=O)N2CCC(CC#N)CC2)c2ccccc2Cl)c(C)c1	542896909	XOLHEJMMWBSOQC-QFIPXVFZSA-N	411.933	5.082	30	20	HKED	
C[C@@H]1C[C@H](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1	543293969	WEURGYZHKUAGIQ-LZJOCLMNSA-N	411.933	5.322	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1c1cccc(F)c1	543889454	XSVVTUPLXSWXJZ-SZNDQCEHSA-N	423.879	5.151	30	20	HKED	
COc1ccc(-c2csc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2)cc1	544314969	JVKPJUPKHFCKRX-UHFFFAOYSA-N	417.534	5.170	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3scnc3C3CCCC3)c2)cc1	546772475	UGKYPHYSSKLLSG-UHFFFAOYSA-N	417.534	5.698	30	20	HKED	
C=CCCO[C@@H](C)c1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	547254296	SCAJHXINNMBOBP-LBPRGKRZSA-N	406.269	5.884	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	558512867	YPCVDCZGOBOABZ-HNNXBMFYSA-N	406.873	5.624	30	20	HKED	
CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c1	559624950	FXOROSHFWQOBFZ-UHFFFAOYSA-N	416.481	5.292	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(F)(c2cccnc2)CC1	560123831	JOOYNYFRZUQPNA-UHFFFAOYSA-N	420.328	5.220	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ncc(-c3ccccn3)s2)cc1	561024596	XWPUMPVGKYXBGU-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1)C2	564568985	ZWVJCBSNRRSGTF-ONTIZHBOSA-N	410.905	5.146	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@@H]1C[C@H]1C	569282528	BNXSCPKDNHBKTC-CRICUBBOSA-N	409.489	5.239	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(F)cc1N1CCCCC1	569861876	VGFLCFSUAWSYIS-XMSQKQJNSA-N	424.495	5.259	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1	576454846	KJOJTOHOSXGGPZ-XMMPIXPASA-N	405.567	5.243	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)Cc1ccc(Cl)cc1	576502375	IHOHWFHCLFPDTO-IRXDYDNUSA-N	415.990	5.236	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4ccsc4)CC3)cc2)ccn1	577990195	DJALGRGMUMFRPF-UHFFFAOYSA-N	404.495	5.219	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)cc1	583903418	UCFQGLCCGLFISF-AWEZNQCLSA-N	411.383	5.255	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1	590613454	SKZONJKSKXWAFB-UHFFFAOYSA-N	405.523	5.423	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc3ccccc3o2)cc1	603831528	FKIHLOGESOSMHV-UHFFFAOYSA-N	411.461	5.400	30	20	HKED	
C[C@@H](SCC(=O)Nc1sc2c(c1C#N)CCCCCC2)c1nc2ccccc2[nH]1	603996011	AARVIZFTQWAUNK-CQSZACIVSA-N	424.595	5.588	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1	604007182	UKKFZIMEBFMZPM-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
CC[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)noc1C	608937496	BBZOHULHEKAXEF-QUCCMNQESA-N	407.901	5.733	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056704	FBERGBUSPLNPRI-QGZVFWFLSA-N	404.466	5.008	30	20	HKED	
N#CCn1c(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc2ccccc21	609167896	IUFIESRFHAOESL-KRWDZBQOSA-N	412.518	5.146	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccc(Cl)s2)on1)c1ccc(Cl)c(Cl)c1	609461028	OTTWRJANNDBSFU-LBPRGKRZSA-N	412.685	5.358	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1	609713167	HZGHVONODIGZAG-GDLZYMKVSA-N	411.571	5.048	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3(c4ccccc4F)CC3)c2)cc1	609855236	GEKSAISMFZVEEE-UHFFFAOYSA-N	400.453	5.141	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cs1	610054010	HHNBQZZKSJDNBK-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1	610323546	LFGCXXCZYPLNSF-SFHVURJKSA-N	410.477	5.200	30	20	HKED	
CCc1nc2ccccc2n1C1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)CC1	611306459	LPSMVQQBUBXWPE-UHFFFAOYSA-N	417.463	5.138	30	20	HKED	
N#C[C@@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1cc(C(F)(F)F)ccn1	643778794	XRZCOWYDBQIGOY-QGZVFWFLSA-N	424.426	5.180	30	20	HKED	
N#Cc1ccc(CNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl	669908932	WMGLNYWBEBMNHQ-UHFFFAOYSA-N	409.700	5.188	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)oc12	682128168	YGCAESXGUFECPJ-MRXNPFEDSA-N	405.251	5.542	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1	728175122	JLSULEUZPPPALR-UHFFFAOYSA-N	405.498	5.702	30	20	HKED	
Cc1sc(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c(C#N)c1C	729647612	ACVROHCBTUHBPD-GOSISDBHSA-N	413.543	5.221	30	20	HKED	
N#Cc1ccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc1	730437070	WBODZSHYNWKWMY-PTNGSMBKSA-N	421.319	5.657	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCCc2ccccc21)C(=O)Nc1ccc(SC(F)F)cc1	731135604	FSZBGXOXEBQEIU-BEFAXECRSA-N	414.477	5.159	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1	731399946	JNXWNKUUMVEKJJ-IRXDYDNUSA-N	422.554	5.090	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1	734081026	DGWXNRULPMQMQG-ARFHVFGLSA-N	414.317	5.492	30	20	HKED	
O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)C(F)F)cc1	735232963	XROJJYBJGMRLRM-KRXBUXKQSA-N	424.774	5.251	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(Br)cc3F)c2)s1	739596105	RFUOUTFSMKSNNU-UHFFFAOYSA-N	415.287	5.118	30	20	HKED	
COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2ccccc2SCC#N)C1	741240771	XZEBYRKGKAZYOW-MRXNPFEDSA-N	414.958	5.059	30	20	HKED	
O=C(/C=C\c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741841752	HLIDWWAXCBUMMM-TWGQIWQCSA-N	423.239	5.226	30	20	HKED	
C#CCOc1ccc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1	742379356	WGZCXYLDBGETGQ-UHFFFAOYSA-N	412.411	5.195	30	20	HKED	
CCc1ccc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1	743093177	NXCROBGVGJSNLZ-SANMLTNESA-N	424.548	5.259	30	20	HKED	
Fc1cccc(NN=Cc2cc(Br)ccc2OCc2ccccn2)c1F	743443321	WKSLBCADAOJPRM-UHFFFAOYSA-N	418.241	5.147	30	20	HKED	
Cc1cc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)c(C)n1-c1ccc(C#N)cc1	743464181	BTCZGOMOSJATLS-UHFFFAOYSA-N	414.490	5.047	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1C#N	752204864	UVDGBBGETXFCSJ-UHFFFAOYSA-N	417.252	5.167	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1C#N	752308071	NIPGKKAVBKDVPI-AWEZNQCLSA-N	406.442	5.098	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1	757393486	ZMHBDIFRMQSILS-UHFFFAOYSA-N	406.121	5.903	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCn1ccc2cc(Cl)ccc21	759207003	PRLMGXCAWMOIEO-HXUWFJFHSA-N	421.928	5.157	30	20	HKED	
COC(=O)Nc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc(C(F)(F)F)c1	763311820	GRJYOCNGPCZGQM-UHFFFAOYSA-N	419.403	5.058	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)n1	764782721	IHXBJIFGWHJAKW-LIRRHRJNSA-N	419.953	5.462	30	20	HKED	
C[C@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	765137169	BDCBCBUMVURPDI-VWNXMTODSA-N	419.912	5.025	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)N(CC)[C@H](c1cccnc1)c1ccc(F)c(F)c1	768116616	FSBVZKOQFBCRSP-VXKWHMMOSA-N	417.500	5.269	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	768970784	CWOQILANTOFUPS-CQSZACIVSA-N	424.353	5.513	30	20	HKED	
COc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1NC(=O)OC(C)(C)C	770527875	CZZUQCKXSQMESI-UHFFFAOYSA-N	410.518	5.004	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)ccc2c1	770857073	CQGFKIWEZPHEAB-DJJJIMSYSA-N	404.466	5.577	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	773983487	XAXGSRFWMUHUBG-OUOZUETKSA-N	414.317	5.710	30	20	HKED	
CC(C)(C)c1ccc(C(C)(C)NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	775377150	VEACKXLCLFXXJX-FQEVSTJZSA-N	412.537	5.046	30	20	HKED	
Cc1sc(NC(=O)Cc2cccc(OCC#N)c2)nc1-c1cccc2ccccc12	778250820	RXXDDBMEBFSMMS-UHFFFAOYSA-N	413.502	5.355	30	20	HKED	
N#C[C@@H](C(=O)[C@H](F)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	778299523	XOKLUFVKZAGGAV-DOTOQJQBSA-N	419.308	5.874	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cccc(Br)n2)cc1	779434677	SZUSZKWJOHDOKK-UHFFFAOYSA-N	410.290	5.057	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)c1	780725913	KMWHRYGQXDBWHS-YFXJRYMSSA-N	421.541	5.168	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc2ccccc2c(Cl)n1	789909344	YRMFIVUYLANMOS-UHFFFAOYSA-N	406.942	5.549	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccccc1	793255642	QZBXRAYZWGDIJR-KRWDZBQOSA-N	418.884	5.013	30	20	HKED	
O=C1/C(=C\c2csc(COc3ccc(Cl)cc3)n2)Cc2nc(Cl)ccc21	806579269	BEJIKUOUKQMMQY-XFFZJAGNSA-N	403.290	5.246	30	20	HKED	
O=C(Nc1cccc2oc(C(F)(F)F)nc12)c1cc(F)c(C(F)(F)F)cc1F	808564244	KSEMCXJVDOSTER-UHFFFAOYSA-N	410.220	5.396	30	20	HKED	
Cc1nc(C)c(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1	809974731	JQIYRDLUAJMSSY-CYBMUJFWSA-N	420.275	5.722	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(C(F)(F)F)cc1	813218043	LKZDMMBHDDXDGV-XHDPSFHLSA-N	400.322	5.489	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccccc1	814636246	CQVHKPCLTCXZNW-LJQANCHMSA-N	421.888	5.479	30	20	HKED	
CS(C)(=O)=Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	820368599	MWASJQPZLMZZMP-UHFFFAOYSA-N	421.547	5.321	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N(O)Cc3cccc4ccccc34)cc2)cs1	901370248	BZQVEVQNWQIJNH-UHFFFAOYSA-N	420.559	5.929	30	20	HKED	
CN(Cc1ccc(C#N)cc1)Cn1nc(SCc2ccc(F)cc2)sc1=S	914783021	CBLJERZDJWQTQY-UHFFFAOYSA-N	416.572	5.067	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccccc1Cl	916273143	TYACMOCFPSHXAB-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCSc1ccc(C)c(C)c1	916909754	UOEAJNKQFBRGEO-OAQYLSRUSA-N	408.567	5.258	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C)o3)n2)cc1	916951240	XYPXZUFMESXTGD-IFXJQAMLSA-N	421.522	5.115	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1	918487071	JTUZBKASYFZXHA-UTKZUKDTSA-N	416.452	5.459	30	20	HKED	
COc1cccc2c1OC/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	920067060	QNALPTCYPKFWRC-VBKFSLOCSA-N	419.864	5.260	30	20	HKED	
CCCN(Cc1ccc(-c2ccccc2C#N)cc1)Cc1nc(O)c2sccc2n1	1319998239	IWRMAAFUSHZFEC-UHFFFAOYSA-N	414.534	5.348	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(C(F)(F)F)c2)c2ccc3nc(O)[nH]c3c2)cc1	1652767124	VKNPGZQBCLQWAE-UHFFFAOYSA-N	422.410	5.366	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cscc3OC)cc2)CCC1	1788824970	FEKITRNVUIATOC-UHFFFAOYSA-N	424.566	5.273	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCCC4(F)F)cc3)CCC2)C1	1789164019	XBRYHBLUPYCBSE-QFIPXVFZSA-N	420.475	5.004	30	20	HKED	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)c1Cl	1792234156	KHXIUULYTSVXJS-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1	1818806993	YKHJYLRUBMRWHJ-ICSRJNTNSA-N	412.578	5.141	30	20	HKED	
N#Cc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1	10808383	NQMUUBXBCIKJLQ-HXUWFJFHSA-N	424.378	5.114	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(C)c2)cc1	11268957	RSGHBDLZUYLRSG-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	26143308	QEMYUUCXMKIZEJ-ZDUSSCGKSA-N	421.488	5.525	30	20	HKED	
O/C(=N\c1nnc(-c2ccccc2)s1)c1sc2cccc(Cl)c2c1Cl	30606206	HEYLBBVFQWDBEB-UHFFFAOYSA-N	406.319	6.363	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nc(C)cc(C)c2C#N)cs1	54912216	PVHYIQATZOULPT-UHFFFAOYSA-N	408.552	5.312	30	20	HKED	
CC(C)c1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c(C(C)C)c1	58546611	PLDVRRMHPCUVQD-UHFFFAOYSA-N	404.558	5.549	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)o1	60488254	QFMBGXMOPFYNEQ-QGZVFWFLSA-N	424.485	5.541	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Oc3cccnc3)cc2)sc2c1-c1ccccc1CC2	63304502	LDKIFIDBPMNRHH-UHFFFAOYSA-N	423.497	5.825	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cc1ccccc1	63389029	VOHVYILGRAWPMR-UHFFFAOYSA-N	401.466	5.406	30	20	HKED	
C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	71944528	PMGWOHBSUWIQDS-FQEVSTJZSA-N	413.521	5.474	30	20	HKED	
Oc1c(Br)cc(Br)cc1C=Nc1cccc2ncccc12	252641057	YYVFNCNQIMUTPA-UHFFFAOYSA-N	406.077	5.216	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1	303577388	ZOTSIDPJQMVGSX-OAHLLOKOSA-N	407.564	5.360	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1	303810334	BVWYRYSAKMWPQI-NRFANRHFSA-N	414.981	5.293	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1c(OC)ccc2ccccc12	410200434	DJZTXGJWAUHYEC-UHFFFAOYSA-N	400.931	5.461	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C#N)cc2Cl)c1	430368950	MHAWZYWNQKZISK-UHFFFAOYSA-N	404.297	5.492	30	20	HKED	
C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H](CCCC#N)c1ccccc1	431870606	TWZXYURHRXAQOE-OXJNMPFZSA-N	414.347	5.114	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	432705252	IOELXKWVXQTZLL-UHFFFAOYSA-N	424.913	5.083	30	20	HKED	
C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(OCc2ccccc2)c1	433726899	DPDUDRKROYAZPK-SFHVURJKSA-N	402.519	5.372	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CC[C@@H](CC(F)(F)F)C1	434162388	HYYUOJIBWUIWLV-JOYOIKCWSA-N	422.291	5.293	30	20	HKED	
C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1	437028885	COHGXANWLYAEQT-DIFFPNOSSA-N	404.329	6.060	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)s1	437843387	ZGINEHYQOGDSDZ-INIZCTEOSA-N	420.538	5.903	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccccc2)CC2CCOCC2)cc1C(F)(F)F	438627937	BSCDFMSIRNOPAJ-UHFFFAOYSA-N	417.431	5.038	30	20	HKED	
COc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438645588	CXTZERJOPZXZME-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NCc1ccc(C#N)cc1OC(F)F	439563149	UQHGUYBEIQXJFW-UHFFFAOYSA-N	407.420	5.333	30	20	HKED	
C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1	460934552	SKISKCWTFOXXNZ-JOCHJYFZSA-N	420.557	5.110	30	20	HKED	
C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1ccsc1	460941977	ZPXNOJCGYACVII-OAQYLSRUSA-N	403.555	5.329	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cscc1-c1ccccc1	463391092	KPYZZSNSKGTUBC-UHFFFAOYSA-N	411.486	6.035	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1	464188984	UHTSWPZEVMAOMB-ZDUSSCGKSA-N	404.278	5.011	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@H]3CCCc4sc(-c5ccc(F)cc5)nc43)cc2)CC1	464219104	AKWKVAJUPNOJLQ-IBGZPJMESA-N	417.509	5.312	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1cc(C(F)(F)F)ccn1	464466417	IHIJQPONRSAUBO-GFCCVEGCSA-N	413.380	5.460	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1OC	464858223	MCFKXCADRASYRA-UHFFFAOYSA-N	402.450	5.237	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N(CC)Cc1cccc(-c2ccncc2)c1	465877500	NJFUUXOWGNUTPK-UHFFFAOYSA-N	401.510	5.045	30	20	HKED	
N#CCCCOc1cccc(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1	466476471	YLOPXBRHUQOOOH-OAQYLSRUSA-N	417.578	5.388	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1	471240994	BGDRTFMZLSWXSA-FQEVSTJZSA-N	405.542	5.311	30	20	HKED	
COc1ccc2c(c1)C(C)(C)C[C@H]2Nc1ccc2c(c1)CCC(=O)N2CCCC#N	474053183	LNAKACQSIQQMSM-JOCHJYFZSA-N	403.526	5.113	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccccc1	474910369	RLGYSQRDQIKYCS-IBGZPJMESA-N	407.489	5.371	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2cc(C#N)ccc2C)ccc1OCc1ccccc1	476737630	QWWIRHAQQOEOJK-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482313105	CCAAGEURBWCKCY-MRXNPFEDSA-N	415.337	5.022	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(Br)cc2)nnc1-c1cccnc1	487120726	VYAOOCIDRIQTST-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	487498541	KQALFXYLNNCUPL-RUZDIDTESA-N	414.505	5.436	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](Sc2nc(C(F)(F)F)ccc2C#N)C(C)C)c1C	488782485	LFEOJMHOFUAROW-KRWDZBQOSA-N	407.461	5.344	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	489457490	NEVWJEWXHXRWQQ-UHFFFAOYSA-N	414.553	5.568	30	20	HKED	
COc1ccc(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	501475586	GCUPLNOLYHJQEF-UHFFFAOYSA-N	418.518	5.071	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1	502240422	HQTYHHMEPTZGAE-GFCCVEGCSA-N	400.878	5.462	30	20	HKED	
COCc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	502520154	UJKSXNDLGOFTEA-UHFFFAOYSA-N	401.466	5.236	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12	502572110	WMGOBWGIQHGTCV-UHFFFAOYSA-N	415.468	5.442	30	20	HKED	
Cc1cccc(-n2c(SCC(=O)c3ccc(C#N)cc3)nnc2-c2ccccc2)c1	504311695	QXHLYYVBNLUEOA-UHFFFAOYSA-N	410.502	5.089	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1c(Cl)cccc1Cl	505533503	QSMHDVLVCVISIR-OAHLLOKOSA-N	401.215	5.483	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC(=Cc2cccc(F)c2)CC1	508885619	ROAHEIBXWHQHSG-UHFFFAOYSA-N	418.516	5.004	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	510886740	FBYVHHWWAHEENT-VWLOTQADSA-N	411.505	6.336	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1	513027902	QSWKACOVZLSKJO-AWEZNQCLSA-N	405.420	5.145	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)nc2ccccc21	513667697	VRIUOYKZTBXFNH-LJQANCHMSA-N	422.463	5.205	30	20	HKED	
CCOc1ccccc1CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	517131582	FMIFLDVVPGOZRP-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(OC)cc2)cc1OCC	517552819	FULRKSDJDPHVFG-OAHLLOKOSA-N	420.347	5.272	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21	518165017	CRDMXAIJUXWGIV-XJKSGUPXSA-N	417.987	5.950	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc(C)c(-c2ccccc2)o1	518554793	YRNZEYWSHUKAAI-UHFFFAOYSA-N	400.931	5.512	30	20	HKED	
Cc1cccc(CSCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	519434028	KIOSHXTUSKVIOB-UHFFFAOYSA-N	424.513	5.892	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	521102531	UQOHQXUXUVLAPD-OAHLLOKOSA-N	406.404	5.322	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccnc(Oc4ccccc4)c3)s2)cc1	523337781	CGJBEAZFVMCIFW-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)cc1Cl	536379125	STULOMZJWSDMDS-UHFFFAOYSA-N	423.881	5.232	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(C(C)=O)c2ccccc2OC)n1)c1ccccc1	537155808	FIRQPDRFVBWYHH-OAQYLSRUSA-N	421.566	5.633	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1	537902418	BRJZIGWVTVAKLW-URXFXBBRSA-N	414.530	5.217	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	539224720	INKCVDKVHFDGSB-MSOLQXFVSA-N	411.571	5.015	30	20	HKED	
Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)n1	539600188	AYELKMKZKYEAMQ-UHFFFAOYSA-N	400.507	5.052	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)cc1	541200282	IVDDFDFEGKFHHR-HXUWFJFHSA-N	424.378	5.585	30	20	HKED	
N#CCC1CCN(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1	541964115	DKYHOSSGQGVEDQ-UHFFFAOYSA-N	402.325	5.418	30	20	HKED	
COc1cc(-c2noc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)ccc1C	542014275	CYZOKVCRDROVIC-SFHVURJKSA-N	424.504	5.443	30	20	HKED	
C[C@H](NC(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1	542954368	GRNIYOUEOITNQL-KRWDZBQOSA-N	424.504	5.383	30	20	HKED	
CCCCSc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(C(=O)OCC)cs1	543574383	RSAYTBSOPPCMOO-CQSZACIVSA-N	422.959	5.355	30	20	HKED	
C[C@H](Nc1cnn(CC(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	548031364	OGBRMORMNXROQO-QMMMGPOBSA-N	405.264	5.656	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	548611551	QPERQHRFEIAFCJ-OAQYLSRUSA-N	411.839	5.137	30	20	HKED	
N#CCCC[C@H](N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1	551223905	ZIWGQFYGDWSUKA-SFTDATJTSA-N	405.542	6.351	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1Cl	552840932	XHYGSTUJQOUNSL-LJQANCHMSA-N	406.873	5.094	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1OCC(F)(F)F	554118696	UZZFBHNYKWXIQR-UHFFFAOYSA-N	410.440	5.015	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C3CCOCC3)CC2)cc1	554575152	GWTDEICRDZCSFX-UHFFFAOYSA-N	420.578	5.129	30	20	HKED	
CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	554903312	FJSNNIQZKTWIIC-UHFFFAOYSA-N	421.384	5.049	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(C)(C)CCC#N	557922769	PMEIOPXLFANLBD-UHFFFAOYSA-N	408.329	5.661	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1	558743726	YWMAPXTUTSMHBL-AWEZNQCLSA-N	410.930	5.204	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2ccc(OCC)cc2)n1	561238072	LMSCEXOSEYZMEF-UHFFFAOYSA-N	424.570	5.205	30	20	HKED	
C=CCn1c(SCC(=O)C2CCCC2)nc2scc(-c3cccs3)c2c1=O	565337067	OBUYHJCXOYZJNH-UHFFFAOYSA-N	416.593	5.224	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1coc(-c2ccc(Cl)cc2)n1	566516194	XVXICHJRVBSAGK-UHFFFAOYSA-N	410.260	5.192	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1	573781345	SFPVTKXOLOFEEL-AABGKKOBSA-N	412.331	5.039	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)c2ccccc21	576906673	PDRRZCLNOURMGB-UHFFFAOYSA-N	406.449	5.119	30	20	HKED	
CSc1ccccc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	577684724	RNLGHURCLPQRLU-OAHLLOKOSA-N	404.495	5.350	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1Oc1cccc(C)c1	584368879	LQBYRJSRSSBYCW-UHFFFAOYSA-N	406.482	5.483	30	20	HKED	
CSc1ccc(-c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c(Cl)c1	589135727	LDUQIXSIESQMDH-CYBMUJFWSA-N	414.893	5.117	30	20	HKED	
C=CCN(C(=O)c1oc2ccccc2c1CSC)c1nc(-c2ccccc2)cs1	603458792	ZSGRXHWYDYZGLE-UHFFFAOYSA-N	420.559	6.252	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)cn2)cc1	603831186	ULBNBPFNZNQCRK-OAQYLSRUSA-N	418.884	5.768	30	20	HKED	
Cc1ccc(-n2c(S[C@@H](C#N)Cc3ccccc3)nnc2-c2ccccn2)c(C)c1	603917931	OBBPTFINTQHWSU-HXUWFJFHSA-N	411.534	5.173	30	20	HKED	
N#Cc1c(NC(=O)COc2ccc(F)cc2Cl)sc2c1-c1ccccc1CC2	603991531	BEXDNRWQVXGQRN-UHFFFAOYSA-N	412.873	5.195	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1C#N	604047274	NPDSIAQEWAMQLP-HNNXBMFYSA-N	416.868	5.315	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1	604497234	BYBXRPUHJQYFCE-UHFFFAOYSA-N	408.502	5.187	30	20	HKED	
CC(C)c1nc2cc(NC(=O)c3occc3COc3cccc(C#N)c3)ccc2o1	608811849	RDJQITAKPCZIMR-UHFFFAOYSA-N	401.422	5.247	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	609032281	ZRXDSCQLGCWTDI-SJORKVTESA-N	405.350	5.018	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)o2)cc1	609059038	GOIWOALHGORHLN-UHFFFAOYSA-N	416.452	5.342	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CCC2)cc1	609064552	DRDKUMIGLRJGBG-UHFFFAOYSA-N	412.489	5.206	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2F)c1	609106320	KDQUCFYRDWSQHO-UHFFFAOYSA-N	416.786	5.460	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl	609402013	SUVVYGXNGRVCGJ-UONOGXRCSA-N	422.381	6.470	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1	609431751	LFEWQTUILVXHLR-CYBMUJFWSA-N	418.444	5.762	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	609437178	USMGRQRLTJHGLF-DDUZABMNSA-N	419.472	5.777	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1	609535146	MWEZJWFLZSHSAZ-ISKFKSNPSA-N	412.558	5.917	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1	609736952	VCVYYCHRAHBNFV-HJPURHCSSA-N	421.591	5.670	30	20	HKED	
C=CCN(C(=O)c1cc2cc(F)ccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609783868	RPHIYTYKSUTHKR-UHFFFAOYSA-N	423.425	5.436	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1cccc(Cl)c1C	609855199	QGXNYDYUARLIRA-UHFFFAOYSA-N	407.857	5.033	30	20	HKED	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	609976383	LANFZEULAOOGFI-ICSRJNTNSA-N	400.478	5.057	30	20	HKED	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610015463	IEPUJCAWIOVSFF-ICSRJNTNSA-N	412.493	5.464	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)N(C3CCCCC3)C3CC3)s2)cc1	610818016	GPDKBMYCOINDLQ-UHFFFAOYSA-N	413.572	5.031	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1	611387679	SEORNTLYFANSJC-INIZCTEOSA-N	404.539	5.113	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	613404528	TZKCWOSDCVRVGV-LBPRGKRZSA-N	415.223	6.112	30	20	HKED	
COc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1OC(F)F	613407533	XFVGRLGRDAHMAY-LLVKDONJSA-N	408.813	5.050	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1ccc2ccccc2n1	671746070	JWQYVENPWHOUSX-LBPRGKRZSA-N	403.638	5.280	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)s1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674445532	PBXWXQXJTCBHEV-RYUDHWBXSA-N	411.342	5.367	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	679617729	YDCNDAXKTRICMD-MPKXVKKWSA-N	400.338	5.192	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)c1Br	682991316	ZSMIYWDPCOHYPV-OAHLLOKOSA-N	412.312	5.075	30	20	HKED	
N#Cc1ccc(NC(=S)NCCc2nc3cc(Cl)ccc3s2)cc1Cl	726451441	XJPWYJAGHXEDFK-UHFFFAOYSA-N	407.351	5.004	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3nc(-c4ccsc4)oc3C)n2)cc1	727039394	XFEKLELBTUZQQF-KRWDZBQOSA-N	419.531	5.562	30	20	HKED	
Cn1cc(/C=C/C(=O)c2ccc(OCc3ccc(F)cc3)cc2)c(-c2ccncc2)n1	727685342	JXUGEBWLJIEZLV-IZZDOVSWSA-N	413.452	5.096	30	20	HKED	
C[C@@H](Cc1ccco1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728121316	FLZPZQVRZWOIKW-HNNXBMFYSA-N	409.873	5.136	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=S)Nc1c(Cl)ccc(C)c1Cl	728444833	LSCYMBVSYAMEOU-UHFFFAOYSA-N	408.354	5.019	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2-c2ccccc2)ccc1OC	733615453	ZLRFXKCMJBDTJQ-HXUWFJFHSA-N	415.493	5.365	30	20	HKED	
CCCn1ccc2cc(NC(=O)NCc3ccc(OC)c(O[C@@H](C#N)CC)c3)ccc21	733631260	GPWJRFYLKIXMOE-HXUWFJFHSA-N	420.513	5.063	30	20	HKED	
C=CC[C@@H](NC(=O)N(CCC)[C@H](C)c1ccccc1Br)c1ccncc1	734683053	LRIDASNCCPLTRN-OXQOHEQNSA-N	416.363	5.644	30	20	HKED	
CCOc1cccc2cc(C(C)=NNc3nc(-c4ccccn4)nc4c3CCC4)oc12	741813749	WUSRAWMEGJYJKN-UHFFFAOYSA-N	413.481	5.008	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC	743478064	XMJFKCKPMUANIX-JTSKRJEESA-N	404.510	5.389	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1	747193234	FJGXSRHGKAFZCB-DTBYZMGXSA-N	402.519	5.692	30	20	HKED	
CCCCCCCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1	749815615	LKXQJIQENMBLJG-UHFFFAOYSA-N	423.395	5.377	30	20	HKED	
COCCCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	749912984	YVOXFWHQRKNGTL-DEOSSOPVSA-N	400.478	5.010	30	20	HKED	
Cc1ccc(Nc2nn(CN(CCC#N)CC(F)(F)F)c(=S)s2)cc1Cl	749955203	FWIUOISPUPZERI-UHFFFAOYSA-N	421.901	5.115	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)s1	750684219	NPQBNQWKDLAMIA-HOCLYGCPSA-N	424.909	5.645	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Cc3c(F)cc(F)cc3C2=O)cs1	751536663	SVWIKJUHKOFSRB-SDQBBNPISA-N	414.408	5.067	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(OC)cc1	752476915	FXJWVMGFMOKZKS-VGOFRKELSA-N	400.478	5.080	30	20	HKED	
C=C(C)[C@H](C)OC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1	756013694	OSAQMSMSSUHIJX-AWEZNQCLSA-N	402.516	5.202	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NOCc1ccc(C(F)(F)F)cc1	756481291	WRGOXKWIQGNACM-CYBMUJFWSA-N	409.433	5.210	30	20	HKED	
C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1	758695096	AAWCAMALXJIXLC-LLVKDONJSA-N	402.237	5.027	30	20	HKED	
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	765986175	CUENDBNOGURIAC-MWTRTKDXSA-N	419.456	5.123	30	20	HKED	
N#Cc1cccc(COc2cccc(CN3CCC([C@@H](O)c4ccccc4)CC3)c2)c1	768228910	LSBLACQMXRFHDM-MHZLTWQESA-N	412.533	5.083	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccccc2OCc2ccccc2)c1	772983019	ITGGBBUZGBLXMU-NZQKXSOJSA-N	400.522	5.797	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CC=C(c4ccc(Cl)nc4)CC3)c2)cc1	773824626	BYJCUFBFHOPXPP-UHFFFAOYSA-N	414.896	5.280	30	20	HKED	
Cc1ccc([C@H]2C[C@H](OC(=O)c3cn(CCCC#N)c4ccccc34)CCO2)cc1	774156512	KRJPFDPLGKUHTL-HYBUGGRVSA-N	402.494	5.331	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1	780678828	YCJIFQFYRXPYEI-HNNXBMFYSA-N	417.431	5.408	30	20	HKED	
COc1ccc(SCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	781450661	JFGDDMYYRUVHLH-INIZCTEOSA-N	416.955	5.707	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O	789718078	DVDWECJZJJUPCW-UHFFFAOYSA-N	419.521	5.533	30	20	HKED	
C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(Br)cc1C(F)(F)F	790674291	YNGWYAQTZLOXFF-GFCCVEGCSA-N	413.237	5.221	30	20	HKED	
Cc1c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cccc1[N+](=O)[O-]	796798250	PFQLRHQWOYRSDK-MRXNPFEDSA-N	411.870	5.099	30	20	HKED	
COc1cccc(C2(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2)c1	796902323	BJZCZDBEUKKVDD-OAHLLOKOSA-N	410.445	5.005	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CCC)cc2)[n+]2ccc(C)cc2)c1	797799153	IXRMMQNXZZFZGM-UHFFFAOYSA-O	413.566	5.540	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1Br	798827399	FXRIGNKVFWWEAV-LBPRGKRZSA-N	417.303	5.352	30	20	HKED	
N#CC1(CCCOC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CCOCC1	800106846	ISZAYMOFNYJBBF-UHFFFAOYSA-N	422.506	5.327	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	801644642	FPRULALNKIOXRC-VLIAUNLRSA-N	421.394	5.099	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(Br)c2Cl)cc1Cl	802719645	YWNJITIYRITVDD-UHFFFAOYSA-N	401.116	5.436	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1)c1ccccc1	812894827	SWWSMPQPOXHIFQ-LOSJGSFVSA-N	422.569	5.248	30	20	HKED	
CC(F)(F)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	814576615	FLOKWDHLVQWUSO-QFIPXVFZSA-N	405.448	5.775	30	20	HKED	
CC(C)Oc1ccccc1C=NOCc1nc(-c2ccc(C(F)(F)F)cc2)no1	844254898	YKQKTCZAPMFVRS-UHFFFAOYSA-N	405.376	5.093	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1	915351472	CTKZWCJGCQIQMD-AREMUKBSSA-N	421.500	6.169	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915359012	HXTMCFMBZMWZAS-DFBJGRDBSA-N	413.521	6.012	30	20	HKED	
CCN(CC)c1ccc(-c2nnc(SCCCOc3ccc(C#N)cc3)o2)cc1	915793018	GXQOKDASFLNROI-UHFFFAOYSA-N	408.527	5.016	30	20	HKED	
CCOc1cccc2c1OCC(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)=C2	915862829	PFIUOBRXWRGHDS-HSZRJFAPSA-N	410.473	5.155	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccccc2Cl)cs1	916262964	ZSZPJBDDCQXZGS-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
N#Cc1cccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1	916602329	LHBRSBBVNQPHAF-UHFFFAOYSA-N	404.278	5.006	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3ccccc3C2(C)C)cs1	920069841	DCWAPYKPQLVYBD-FYJGNVAPSA-N	402.519	5.694	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1	920114012	XGFOEQABLPBVEN-KBXCAEBGSA-N	414.452	6.199	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1Cl	920819507	QFXVDBYDRFRORN-REWPJTCUSA-N	415.880	5.452	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(C)n3)CCC2)cc1	1789453314	VNFQSGUUHWTCGE-JOCHJYFZSA-N	417.553	5.215	30	20	HKED	
CC(C)CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1	1792122832	SETWEHRNSMQRAO-GOSISDBHSA-N	403.526	5.107	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830254199	WEWWHHOXKNNERK-QFIPXVFZSA-N	402.623	5.345	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)n1	10267148	GINUBSKUIABPOS-GFCCVEGCSA-N	424.576	5.450	30	20	HKED	
Cc1c(C#N)c(NC(=O)COC(=O)c2cccc3ccccc23)n(C2CCCC2)c1C	12262217	SDLGLEZBEGFLKX-UHFFFAOYSA-N	415.493	5.040	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc(O)cc3C2)cc1Cl	47565631	UDGQOTOSZKLOMM-JOCHJYFZSA-N	417.896	5.291	30	20	HKED	
N#CC1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1	61584208	MRHXDNGSFQOCCK-UHFFFAOYSA-N	410.926	5.754	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(C)o2)nc2sc(-c3ccccc3)c(C)c2c1=O	63534193	WQJHZVBBNMDTNA-CYBMUJFWSA-N	424.551	5.164	30	20	HKED	
CCN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)[C@H](C)c1ccc(C#N)cc1	105904703	RDNFPUAKPPMCSS-LJQANCHMSA-N	421.504	5.029	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccccc3OC)cc2)ccc1OC	237021508	NMFJYKPVGUDCAQ-QFIPXVFZSA-N	416.521	5.342	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	303011171	KARGOLFJBMKJIK-UHFFFAOYSA-N	414.505	5.300	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl	303338451	XYBGAPJKWYPGHK-LBPRGKRZSA-N	411.379	6.118	30	20	HKED	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	409644671	KTDRBXCNNVROAA-UHFFFAOYSA-N	424.504	5.221	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428810822	INLBKVTUQJIPHC-QGZVFWFLSA-N	421.570	5.185	30	20	HKED	
CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	428875291	STFCXNLYZZARDZ-UHFFFAOYSA-N	402.376	5.137	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC2(CCC2)[C@@H]1C(C)C	432848888	YFRNXPYDVXZDBC-QHCPKHFHSA-N	403.526	5.488	30	20	HKED	
Cc1ccc(NC(=O)Cc2nc(CN[C@@H](CCCC#N)c3ccccc3)cs2)cc1	433041581	WPAGAXDPUWNISN-QFIPXVFZSA-N	418.566	5.158	30	20	HKED	
Cc1cccc2nc(C3CCN(C(=O)N[C@H](CCC#N)c4ccccc4)CC3)oc12	436384108	FQGSJDQLZYWMFW-HXUWFJFHSA-N	402.498	5.070	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(-n2cccn2)cc1	438065683	JGMGIKFJAJSNHY-SFHVURJKSA-N	423.476	5.419	30	20	HKED	
N#CC1CCC(CNC(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)CC1	441008638	KVCBELUZZXRBQX-PWGQDJSOSA-N	413.871	5.439	30	20	HKED	
C=CCC[C@H](NC(=O)c1cnc(-c2ncccn2)s1)c1ccc(C(F)(F)F)cc1	441589435	LFJGFMPWZXTFDH-HNNXBMFYSA-N	418.444	5.056	30	20	HKED	
C[C@H](Sc1nnc(COc2ccccc2)n1Cc1ccco1)c1cccc(C#N)c1	442919740	MSOKCGRDWRNRGW-KRWDZBQOSA-N	416.506	5.223	30	20	HKED	
C=CCOCCCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	443814686	XYALTIFOWQNNJM-UHFFFAOYSA-N	410.514	5.465	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	444394748	WKLRCIKATPWKBC-CYBMUJFWSA-N	412.852	5.585	30	20	HKED	
COc1cc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)ccc1OCc1ccncc1	461787416	PBGBLGTXFVMPBM-AWEZNQCLSA-N	408.889	5.071	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2c(F)cccc2Sc2ccccc2)cc1	463576090	IIFVLAMTXVOAGE-UHFFFAOYSA-N	406.482	5.145	30	20	HKED	
N#Cc1cc(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)ccc1Oc1ccccc1	463652907	MPLJHVJPBIOBJY-UHFFFAOYSA-N	411.461	5.135	30	20	HKED	
CC[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(OC)cc1	463946903	FZVGUCVUODYVGN-KRWDZBQOSA-N	422.472	5.852	30	20	HKED	
Cc1ccccc1NC(=O)Cc1noc(-c2ccc(Oc3ccc(C#N)cc3C)cc2)n1	464780869	XUWGVZVQZYTHGL-UHFFFAOYSA-N	424.460	5.199	30	20	HKED	
CCO[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C1=CCCC1	465169986	MQHIYZWXZSBJJU-JOCHJYFZSA-N	406.482	5.203	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C	468313991	AXINTKFNEXEQJL-FQEVSTJZSA-N	402.542	5.466	30	20	HKED	
Cc1sccc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	468976030	MELXOOBFROGDCU-UHFFFAOYSA-N	421.469	5.176	30	20	HKED	
COc1ccc(-c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)nc2)cc1Cl	469879058	HDYSCQCBHPTIQP-UHFFFAOYSA-N	403.869	5.218	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc(C)c1OCc1cccnc1	474449559	UXKJPVPIGQJUBT-IBGZPJMESA-N	405.523	5.347	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2s1	474450931	XZMCNNMPYUQBTO-LLVKDONJSA-N	404.586	5.274	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1	475506849	JSDKIMIPDGSCNC-AWEZNQCLSA-N	422.472	5.753	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1	476652502	BMHUUWBGXLZSGL-KDOFPFPSSA-N	412.358	5.095	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nncn1-c1ccccc1CC	476790077	GDUGHAAMFCNZAX-UHFFFAOYSA-N	420.582	5.412	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CCC(=O)OCC)cc1	481245603	HPUPTPQMTQBSDS-UHFFFAOYSA-N	406.935	5.117	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1	481344571	IINHTWHAZSSDKT-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2F)c1	481683375	HVQYXLLXNPQALW-NRFANRHFSA-N	421.497	5.707	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1	483215350	HKLPQBVHSJULJW-IBGZPJMESA-N	406.470	5.143	30	20	HKED	
Cc1nc(-c2ccccc2)ncc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	483435758	CWDBZCIPKLMZPU-OAHLLOKOSA-N	404.882	5.205	30	20	HKED	
Cc1onc(-c2ccccn2)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	483452958	YYHHFPIVQROSER-OAHLLOKOSA-N	420.881	5.312	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	484161810	OOKQBXJOLLNKRD-SJKOYZFVSA-N	411.424	5.503	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1	486260054	PICMRHGPMKBUCC-UHFFFAOYSA-N	416.546	5.190	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1c(F)cc(F)cc1Br	487230827	BLFTVQRXDRRZPH-WMLDXEAASA-N	420.257	5.031	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)s2)cc1	487383369	CHNFIQHTQYUTPV-UHFFFAOYSA-N	420.881	5.166	30	20	HKED	
CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1-c1ccccc1	488227487	WIKXUSCINZSXCW-INIZCTEOSA-N	400.507	5.405	30	20	HKED	
COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	488519423	GGVPUYMUIIEJRY-KRWDZBQOSA-N	411.811	5.082	30	20	HKED	
Cn1cc(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)c(-c2ccc(C#N)cc2)n1	490430287	HCJCIJUXWKHGOH-UHFFFAOYSA-N	419.532	5.185	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CCCC(F)(F)F	494566008	OOOSZWHMVADMBH-OAHLLOKOSA-N	405.420	5.902	30	20	HKED	
N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cc(C(F)F)ccc3Cl)C2)c(F)c1	497412553	RGYXBKVYOFCCLI-AWEZNQCLSA-N	422.838	5.079	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Cc1ccc(Br)cc1	498298041	OKTNIAZTAFIKRY-GJZGRUSLSA-N	417.372	5.661	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H]1CCC[C@@H](C)C1	499312251	KMXNYFOFVUVYGI-NDKUEENFSA-N	420.601	5.338	30	20	HKED	
C=C[C@@H](Cc1nc(-c2ccc(NC(C)=O)c(C(F)(F)F)c2)no1)c1ccccc1	499625881	NHGURNYTNAGQMP-AWEZNQCLSA-N	401.388	5.226	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc([C@@H]4CCCOC4)c3)cc2)c1	499719805	MBMLRWPBHDUISQ-HSZRJFAPSA-N	412.489	5.284	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccn2)c1	499893198	HSGINSWMORHIOE-FDDCHVKYSA-N	416.550	5.553	30	20	HKED	
C[C@H](Sc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501476015	UBGSIGCHPCETDN-SFHVURJKSA-N	402.519	5.451	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F	501769266	YDENQKOJSVYISU-LSDHHAIUSA-N	422.260	5.472	30	20	HKED	
CC[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1c(C)noc1C	505692554	WKPXIVFJTDZSIV-IBGZPJMESA-N	405.454	5.096	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C1CC1	506977174	GQBAVYXDMARZGP-UHFFFAOYSA-N	400.482	5.333	30	20	HKED	
Cc1cccc(-n2nnc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2C)c1	510272942	TZXNIQCACGIUOJ-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
N#CCCCCNC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1	510548330	AQUOAWKBUNOMPA-UHFFFAOYSA-N	405.420	5.333	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1	511667493	PBDDKDMKXMVKLZ-UDZFHETQSA-N	423.319	5.278	30	20	HKED	
CC[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(OC)c(OC)c1	512914333	ZIJXIRXCXQDSKY-DEOSSOPVSA-N	416.521	5.395	30	20	HKED	
C[C@@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1c(F)cncc1F	513039651	CBTTVBBWQMYBQF-RFAUZJTJSA-N	414.296	5.083	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c(C)c2c1	515370951	SAGMHEZPIGTSTA-UHFFFAOYSA-N	416.521	5.433	30	20	HKED	
CCc1cc(C#N)c(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)s1	515719478	NRPJOIMEFSNQQB-UHFFFAOYSA-N	424.909	5.084	30	20	HKED	
COc1cc(CN[C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)ccc1C#N	519671860	LPLKFYZOBRIZSK-SFHVURJKSA-N	409.942	5.511	30	20	HKED	
C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	520444376	YDURKRWYUMSRAT-GBESFXJTSA-N	411.571	5.099	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1cccc(OC2CCCC2)c1	520826317	MPMGTFSZYANUNH-SFHVURJKSA-N	408.567	5.831	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F	525044076	ZZIYDICTZRNGBW-RBBKRZOGSA-N	420.434	5.621	30	20	HKED	
Cc1ccc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C2CC2)cc1C	525365231	QUGFJWNDKNBZIG-UHFFFAOYSA-N	400.478	5.152	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc([C@H]2CCCO2)n1	533717598	FDHVWPOMKIPCSA-OAQYLSRUSA-N	419.506	5.006	30	20	HKED	
CCSCc1ccnc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	534180416	BAJVRTLZIOQPSC-UHFFFAOYSA-N	405.548	5.610	30	20	HKED	
CCN(C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(C#N)c(Cl)c1	536972467	WMVAZQOIHRXBLL-UHFFFAOYSA-N	424.957	5.091	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1	537372186	ZZEABTJEALPTKO-NHCUHLMSSA-N	423.523	5.023	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	537469839	GSQSCMRDNHPFGG-LSDHHAIUSA-N	400.931	5.439	30	20	HKED	
Cc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)nn1-c1ccccc1Cl	537529728	OOHZUYAIHHIAGG-UHFFFAOYSA-N	417.900	5.027	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)c1	539032464	ZRWMKHPWIZTJBF-UHFFFAOYSA-N	404.514	5.033	30	20	HKED	
COc1cc([C@H](C)Nc2ncc(Cl)c(C)c2C#N)ccc1OCc1ccncc1	542207768	YEGSKAKOEVROJZ-HNNXBMFYSA-N	408.889	5.071	30	20	HKED	
N#Cc1cc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)ccc1Cl	542534182	YGONJSRPNQLXRS-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
N#CCC1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)CC1	542904231	JLFKBKZRRCYSAY-UHFFFAOYSA-N	408.885	5.431	30	20	HKED	
C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1	543293963	WEURGYZHKUAGIQ-LLGFUMIMSA-N	411.933	5.322	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1	543563007	FBTYTAJPKLDQNY-BXKMTCNYSA-N	412.493	5.669	30	20	HKED	
Cc1cnc([C@H](NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)s1	543940537	YEWSTBUIAMXQEV-OPAMFIHVSA-N	416.550	5.502	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)s1	545384967	ILXPFVRZKNLGJN-LLVKDONJSA-N	420.325	5.465	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(C(F)F)sc2c1	552379331	KVIHEGMHNRSTMF-KRWDZBQOSA-N	401.438	5.148	30	20	HKED	
Cc1csc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1C#N	558244096	KAFWWWWKMIREKN-UHFFFAOYSA-N	408.335	5.540	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F	558323056	LUPNIQFYGVPPPV-HNNXBMFYSA-N	419.300	5.751	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(CCCc3ccccc3)cc2)CC1	558624112	PNXFAGBFRLBSGH-UHFFFAOYSA-N	424.548	5.346	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1	565273644	CXFNWEPLZNXFDF-UHFFFAOYSA-N	414.884	5.109	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C1CC1	570544680	SPKRCEPEWGIFTG-UHFFFAOYSA-N	418.472	5.472	30	20	HKED	
C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	589561986	MOWWRMNVLXJFQD-AWEZNQCLSA-N	404.401	5.031	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H](c2nc3ccccc3o2)C1	601184634	JHQNHVMFZZZBME-FQEVSTJZSA-N	422.488	5.034	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc1	603732520	RBLHJCTVVSHEAT-UHFFFAOYSA-N	407.442	5.059	30	20	HKED	
CCCCN([C@@H](C)c1ccc(C)o1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	604494328	FIRDTWGDWOBJNR-AWEZNQCLSA-N	414.449	5.031	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1N(C)Cc1ccccc1	609047104	TUYOVAVMGCYZJP-UHFFFAOYSA-N	410.521	5.415	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	609262784	BWRDKTJNSIQLCV-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCC1CCCCC1	609387041	HJYBHLDRQUGREP-CQSZACIVSA-N	413.509	5.208	30	20	HKED	
N#Cc1ccc(SCc2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1	609475514	CBULKEZPVUNSDO-UHFFFAOYSA-N	423.501	5.299	30	20	HKED	
COc1ccc(C)cc1-c1csc(NC(=O)CCCCOc2cccc(C#N)c2)n1	609497748	HBNBFHHNKPZXIP-UHFFFAOYSA-N	421.522	5.187	30	20	HKED	
C[C@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1	609971064	DKGCYUPHPDKDRX-MRXNPFEDSA-N	416.443	5.141	30	20	HKED	
CC[C@](C)(NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C)cs1	610184805	MODXGZFJEMAIHO-QHCPKHFHSA-N	405.523	5.365	30	20	HKED	
CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	610268084	XXMNGQDSVJSGAN-UHFFFAOYSA-N	416.424	5.069	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1F	611358089	DYEKHUGKPGFVJM-ROUUACIJSA-N	423.488	5.160	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)c(C#N)c1C	611397706	LHJTZGIHUJNAPO-UHFFFAOYSA-N	416.808	5.029	30	20	HKED	
N#Cc1cc(NC(=O)c2ccn(C(F)F)n2)ccc1Oc1ccc(C(F)(F)F)cc1	611419444	XWSKGFKAKPDQEZ-UHFFFAOYSA-N	422.313	5.213	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CC3CCC(C(F)(F)F)CC3)cn2)c1	611954286	QKEPLSGGUIMXIJ-UHFFFAOYSA-N	403.404	5.443	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C(C)(C)C#N)cc2)c2ccccc2OC)cc1	614058801	XQLNEEVDGKEQPR-VWLOTQADSA-N	400.522	5.384	30	20	HKED	
N#CCCn1cc(C(=O)CN(Cc2cccs2)Cc2cccs2)c2ccccc21	673853868	KOLXULWVSANMJI-UHFFFAOYSA-N	419.575	5.563	30	20	HKED	
Cn1ccc([C@H](NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2)n1	679768859	VQZFFXDBNYVBPN-PBFPGSCMSA-N	423.376	5.148	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc2cc(F)ccc2s1	730422063	SPMXPIZOTYQTPI-HNNXBMFYSA-N	411.458	5.117	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1occc1-c1ccccc1	731064654	WDRAHYRPAGECBC-INIZCTEOSA-N	420.490	5.136	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CSc3ccccc3)n2)cc1	732497286	MJFYZICQWHAGFO-BEFAXECRSA-N	408.548	5.423	30	20	HKED	
C#Cc1cccc(NC(=O)CNC(=O)c2sc3cc(C(C)C)ccc3c2Cl)c1	732634519	FZOGNDLSTHEQPO-UHFFFAOYSA-N	410.926	5.028	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)NCc1cccc(O[C@H](C#N)CC)c1	733807263	SZKWKGAOTYIHND-SFHVURJKSA-N	405.498	5.018	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccnc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	741111332	KQFNHHGLEDQCIW-KWEPMOPPSA-N	415.905	5.901	30	20	HKED	
O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccc(-c2ccc(C(=O)O)o2)cc1	743058404	YKKYJYNXTZBOTH-XCVCLJGOSA-N	412.401	5.123	30	20	HKED	
CS[C@H]1CC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	743139326	IZCFPYGNEMPYQG-WMZOPIPTSA-N	415.946	5.196	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)n2)cc1	744061154	HNCOBQCSPFRSIG-KBAYOESNSA-N	410.445	5.077	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1F	744380660	VWKOPDQMGKJBBY-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(NC(C)=O)cc2OC)cc1OC	747704747	FNMKZUWUHLWFNS-TWGQIWQCSA-N	417.889	5.001	30	20	HKED	
C[C@H](ON=Cc1c(Cl)nc2ccccn12)c1ncc(-c2ccc(Cl)cc2)o1	752781067	HBCZLDVBZIEBOD-LBPRGKRZSA-N	401.253	5.408	30	20	HKED	
CC(=Nn1c(S)nnc1SCc1ccccc1)c1cc(Cl)c(N)c(Cl)c1	754713691	KMFHXYYTYTZBAP-UHFFFAOYSA-N	424.382	5.020	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1	758536265	TVRBBPXTSDXMCL-FGZHOGPDSA-N	403.507	5.009	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCCCSc2nccs2)cc1	758582866	AYSDDSIZQTVWNF-UHFFFAOYSA-N	410.524	5.111	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CNc2ccccc2S[C@H](C)CC#N)cc1C	759775933	HSGNTGLSHSWPPV-LJQANCHMSA-N	406.555	5.057	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccccc1OCc1ccc(Cl)cc1	760800604	FWOKZVJIAKGYOO-UHFFFAOYSA-N	410.832	5.213	30	20	HKED	
CCCCSc1ccc(C(=O)OCC2(C#N)CCOCC2)cc1C(F)(F)F	761167445	PAVHEKHIMHJQKX-UHFFFAOYSA-N	401.450	5.075	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc2ccccc2s1	761555534	VRCZELVFHSWSDL-UHFFFAOYSA-N	419.893	5.890	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	767868925	GRFHMTDWIAETTE-OAQYLSRUSA-N	403.869	5.206	30	20	HKED	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Nc1ccc(F)cc1OCC#N	775669969	DHFRPTQFXNXVJB-QGZVFWFLSA-N	403.457	5.620	30	20	HKED	
C#CCSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F	776218816	BUYLIJAPIRYMOO-WJDWOHSUSA-N	405.281	5.243	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](CC)c1cc(F)cc(Br)c1)c1ccncc1	777243630	RVSLTAJYQFYZHY-ROUUACIJSA-N	406.299	5.051	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3O[C@H](C)C#N)o2)cc1	780167346	WMPWPLPTTQTCRW-GOSISDBHSA-N	423.472	5.860	30	20	HKED	
C[C@H](OC(=O)c1ccsc1NC(=O)c1ccccc1Cl)c1ccc(C#N)cc1	783529244	DJMZXACNEYEMMX-ZDUSSCGKSA-N	410.882	5.443	30	20	HKED	
C#CCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)CCCCC1	788214952	VKGDZLASFGFRJO-UHFFFAOYSA-N	415.537	5.189	30	20	HKED	
C=CC[C@H](NCc1ccc(OC(F)(F)F)c(Br)c1)c1ccncc1	792989184	XLFHUUQIDWSSHB-HNNXBMFYSA-N	401.226	5.150	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CC2)s1	797570444	GZCQHZMSPUOCBP-AWEZNQCLSA-N	403.345	5.111	30	20	HKED	
N#CC1(CCCN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)CCOCC1	799134980	XDQCQICYUGVLQH-YWEYNIOJSA-N	418.537	5.078	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	802045122	FUSNQXLAPRUIAT-GUYCJALGSA-N	410.926	5.768	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccnc(Cl)c1F	803753753	BGLPNXYQUNWTGW-UHFFFAOYSA-N	414.708	5.184	30	20	HKED	
COc1ccc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)cc1OCc1ccccc1	806563398	WCPWXRPBNQEILH-JJEHFPDLSA-N	414.457	5.112	30	20	HKED	
CC(C)OCc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1O	809872624	JCTDJELZYYYXCV-HSZRJFAPSA-N	415.493	5.617	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3c(Cl)nc4cc(Cl)ccn34)cc2)ccn1	810166041	AHZIUGZGMXWVES-UHFFFAOYSA-N	410.264	5.312	30	20	HKED	
COc1ccc(C(=O)/C=C/C(C)=C/c2ccccc2OC(F)F)cc1NC(C)=O	811690056	SWINEIPOOJDWRS-SHQVAAIUSA-N	401.409	5.097	30	20	HKED	
C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	904491407	UZIOMBYTQPREKC-GOSISDBHSA-N	419.488	5.352	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1	916906684	UTBJXFDKLKYETM-GOSISDBHSA-N	424.378	5.459	30	20	HKED	
CCN(CC)c1ccc(C=Nc2cccc(NC(=O)c3ccccc3)c2C)c(O)c1	917558032	ZMXSFEAVOMCEFP-UHFFFAOYSA-N	401.510	5.550	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2scnc2C)cs1	917560574	RPNPVBVXVBTDCT-YVMONPNESA-N	403.916	5.142	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12	918599511	TUGJNTOGWJZKKJ-OAHLLOKOSA-N	422.326	5.286	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CC(c1ccccc1)c1ccccc1	920106324	WYQFRFCGUJJPQV-QHCPKHFHSA-N	406.485	5.590	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	920111333	SMGXKFCDGKQAHB-UGKGYDQZSA-N	416.546	5.814	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC=CCC3)cc2)CCC1	1791993765	GRDBLCSGVSQLFQ-OAQYLSRUSA-N	402.485	5.078	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1	1831376632	TWLUCRMAADJVCV-CYFREDJKSA-N	408.586	5.010	30	20	HKED	
C[C@H]1CN(Cc2csc(/N=C(\O)c3sc4ccccc4c3Cl)n2)C[C@H](C)O1	22300610	GGAVYTDCTZCJGA-RYUDHWBXSA-N	421.975	5.257	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(N(C)C)cc2)c1	22732390	NYQQKWFYFYEKMT-UHFFFAOYSA-O	424.615	5.023	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C(/Cl)c3nc(O)c4ccccc4n3)c2)c1	48237947	HYLGRWNWQVBEII-FYJGNVAPSA-N	413.864	5.523	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1OC	58328533	YSWKQPNVQFKDJI-UHFFFAOYSA-N	416.477	5.073	30	20	HKED	
Cn1c([C@H](NCc2cccc(OCCCC#N)c2)c2ccccc2)nc2ccccc21	237877285	JYNCYIJFZPRMBS-RUZDIDTESA-N	410.521	5.135	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1	303297191	BZAPNPZXEUGMHF-OALUTQOASA-N	407.583	5.178	30	20	HKED	
Cc1nc(NC(=O)c2cccc(COc3cccc(F)c3)c2)sc1SCC#N	303555406	MIWWAXGNKLUDNP-UHFFFAOYSA-N	413.499	5.038	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Br)c(C(F)(F)F)c2)n1	426175776	VZRHSCRVBKKECG-JTQLQIEISA-N	417.250	5.538	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c[nH]cc2-c2ccc(C)s2)cc1	426653852	GEMMWQMKWNIFSY-UHFFFAOYSA-N	405.523	5.118	30	20	HKED	
COc1cc(CNC(C)(C)c2ccccc2F)ccc1OCc1cccc(C#N)c1	429267191	LLKAPLJPRXQSHH-UHFFFAOYSA-N	404.485	5.310	30	20	HKED	
N#CCSc1cccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1	429951237	PHVMQTTWXNOFHB-QFIPXVFZSA-N	411.530	5.345	30	20	HKED	
N#CCSc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	432218851	OGGWELVZYDMGAU-QGZVFWFLSA-N	409.923	5.569	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccccc1	432958403	CWTSAQWNYKFUPM-HSZRJFAPSA-N	407.514	5.049	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2)o1	432977395	CPHKZKMUIGANBI-UHFFFAOYSA-N	415.493	5.510	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC[C@@H](SC)C2)cc1	435616264	KFLOADQMRMBCHO-LJQANCHMSA-N	411.527	5.109	30	20	HKED	
O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	437262377	KAJYCKUWWUXWDT-UHFFFAOYSA-N	413.667	5.316	30	20	HKED	
COCc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)oc2ccccc12	437473319	LGFOJFXZVGSUSU-UHFFFAOYSA-N	416.408	5.635	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1C	438657701	SWGICLWHRQFOER-UHFFFAOYSA-N	417.431	5.269	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(CC(F)F)c3cccc(Cl)c3)o2)cc1	440675365	LNANYKNBFMLOOY-UHFFFAOYSA-N	416.811	5.296	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nc2ccccc2[nH]1	444427872	AZSOWXKBWUQPCV-ZDUSSCGKSA-N	411.339	5.212	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C(F)F)cc1	460779092	SSDGTJUDUFJEFW-AWEZNQCLSA-N	406.523	5.748	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc3c2CC(=O)CC3)cc1Cl	463590600	NSUKMWCGGJJJIX-HSZRJFAPSA-N	414.892	5.306	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c1	464046591	GKFWZHDCUYVKHQ-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
N#C[C@H](C(=O)c1sc(C2CC2)nc1-c1ccccc1)c1cc(C(F)(F)F)ccn1	464418683	HYIWUZXDTALFCW-HNNXBMFYSA-N	413.424	5.591	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)cc1	465241803	KCRMHMXWXCOLFP-UHFFFAOYSA-N	417.431	5.128	30	20	HKED	
C=CCn1c(SCCCSCC#N)nc2sc(-c3ccccc3)cc2c1=O	466617828	JTNAKMMQHFTDFY-UHFFFAOYSA-N	413.593	5.050	30	20	HKED	
COCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c(Cl)c1	471729531	XRGKTXSADKTXON-UHFFFAOYSA-N	418.946	5.210	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2cc(Cl)ccc2C#N)cs1	474398622	WNWWLTDOXKGADT-UHFFFAOYSA-N	418.305	5.585	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1	476081549	UJKABUHLZDGTKE-UHFFFAOYSA-N	409.917	5.813	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1ccccc1)C2	476331712	CCFSRORRANENHV-ZEQKJWHPSA-N	410.517	5.409	30	20	HKED	
Cc1ccc(-c2cccnc2)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	477558357	FGZQKGRMPVLNAR-UHFFFAOYSA-N	407.477	5.087	30	20	HKED	
COc1ccccc1SCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	479645075	XNSPUPGBEIRHBY-UHFFFAOYSA-N	418.518	5.071	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1Br)c1ccc(OCC(F)(F)F)cc1	481331909	RDOTZVWIVRHPIE-LBPRGKRZSA-N	413.237	5.113	30	20	HKED	
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	481691978	AJTQUGXMJSTFQK-XJABCFGWSA-N	411.933	5.010	30	20	HKED	
CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	482066432	KJYKWDSJAMDUIE-UHFFFAOYSA-N	413.477	5.085	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482373878	VBOSRZKDVZNZTC-HNNXBMFYSA-N	408.317	5.290	30	20	HKED	
CCc1c(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cnn1C(CC)CC	485199394	YVURFEICFGMEIZ-UHFFFAOYSA-N	423.561	5.190	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(F)cc1Br	485463237	HZFUZUKBDDJJFL-GFCCVEGCSA-N	407.308	5.021	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21	486492628	ATWFADHCWPOOPH-RJSMDTJLSA-N	419.594	6.271	30	20	HKED	
N#CCCN(C(=O)c1coc(-c2ccccc2Cl)n1)C12CC3CC(CC(C3)C1)C2	486553165	YHXZXDYHWICQQV-UHFFFAOYSA-N	409.917	5.320	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1	486706774	HSQDJYDDLLXKHD-UHFFFAOYSA-N	408.404	5.692	30	20	HKED	
C=CC[C@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1C)c1ccccc1	488670439	DSTJDASAQADLNB-NRFANRHFSA-N	400.526	5.278	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2F)nc1	490240789	IKUROZZAZSFRGU-FPOVZHCZSA-N	416.456	5.317	30	20	HKED	
COc1cccc([C@H](CNc2nc(C)ccc2C#N)c2c[nH]c3ccccc23)c1OC	500276518	SSERUOBGDVJSEN-NRFANRHFSA-N	412.493	5.004	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1C(F)(F)F	500961885	COGWZNBNWNPDFB-AWEZNQCLSA-N	414.383	5.240	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)CCCc3ncc(-c4ccccc4)o3)n2)c1	501137669	VVYCRTVPPLZNAS-UHFFFAOYSA-N	414.490	5.298	30	20	HKED	
C[C@]1(F)CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)C1	501368966	VNRTTXBJWMENEK-YKPQDJRASA-N	415.393	5.069	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1csc(Br)c1	505173860	WAUCRLCBKORLMD-UHFFFAOYSA-N	405.770	5.123	30	20	HKED	
N#C[C@@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccccc1Cl	505641053	YMRCOPIVMSANBC-LJQANCHMSA-N	411.889	5.161	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3ccccc3OC)CC2)cc1	505697654	KZAIFWOYDKVMIT-UHFFFAOYSA-N	414.461	5.038	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c12	505795207	HUUZLLXZKBFCGQ-IBGZPJMESA-N	421.932	5.020	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Cl)c1	506345803	LOQWXWMWGRWXCY-AWEZNQCLSA-N	416.930	5.344	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1F)C1CC1	510855908	AYQYEJNQHNCWSI-UHFFFAOYSA-N	415.468	5.995	30	20	HKED	
COc1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc(OC)c1C(C)C	511596627	MZXNLHMGWQFCIC-UHFFFAOYSA-N	407.495	5.075	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1	512540339	LUVVQRLSMUSJHT-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)cc1	513123795	MWVZVORKPPKVIR-XMMPIXPASA-N	412.489	5.123	30	20	HKED	
Cc1cc(C)cc(OCc2noc(CNc3ccccc3S[C@H](C)CC#N)n2)c1	513784857	AMWUDEGMZYPXDW-QGZVFWFLSA-N	408.527	5.272	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1	516683574	MNKAXVBSOSXAFT-UHFFFAOYSA-N	411.958	5.670	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	518260018	SNCUKQMDUQPCQV-MRXNPFEDSA-N	419.554	5.369	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1	518670648	GSEKADZHEKSUQP-UONOGXRCSA-N	416.568	5.022	30	20	HKED	
CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccccc1SC[C@@H](C)C#N	518683596	YQFOOBWFKQNLIE-INIZCTEOSA-N	413.543	5.010	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)c1cccc(C(F)(F)F)c1	518849249	WIMNPTPLLLPIOW-INIZCTEOSA-N	405.763	5.008	30	20	HKED	
COc1ccc(CC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1OC	519095013	SQQLVYJLDOIEEV-UHFFFAOYSA-N	420.896	5.005	30	20	HKED	
Cc1cc(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)n(CCC#N)n1	519440129	KGFAHGIXZIWGPT-UHFFFAOYSA-N	421.570	5.237	30	20	HKED	
CCCc1nc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1	520819326	VTYVQOFDNCVXHQ-CQSZACIVSA-N	405.614	5.362	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1	521810461	PPRZTABPMVDTAG-HXOBKFHXSA-N	419.525	6.131	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C	522837432	ZISJEYLZZFESSS-WMZHIEFXSA-N	421.541	5.622	30	20	HKED	
CN(Cc1ccccc1NC(=O)c1cccc(CC#N)c1)C(=O)c1cc2ccccc2o1	522938819	WAJGHBFYSMHOKU-UHFFFAOYSA-N	423.472	5.023	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1	523965184	PMZKUTWRDOBIMM-ZSEKCTLFSA-N	415.946	5.165	30	20	HKED	
CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	524378233	KTWNDPWZCHPDQH-OAQYLSRUSA-N	404.466	5.010	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1NC(=O)Nc1ccccc1	525473391	QTARQRCAEKBFOD-UHFFFAOYSA-N	412.493	5.693	30	20	HKED	
C=CCn1c(SCc2ncc(CC)o2)nc2scc(-c3ccccc3)c2c1=O	525703932	NKWWCTCWXLETTE-UHFFFAOYSA-N	409.536	5.154	30	20	HKED	
N#CCc1ccnc(NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)c1	531674989	SQWUJKMZWBMPHB-FQEVSTJZSA-N	412.276	5.213	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@H]1COc2ccccc21	532848347	HDVNZDJLJJDRFX-HTAPYJJXSA-N	413.477	5.345	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C(F)F	536136523	RGOYNSJQWRFRMQ-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1	536201324	OQZZQVOCHSMLQP-FXAWDEMLSA-N	421.928	5.456	30	20	HKED	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1	537654739	GJZPNBWIXWHDNY-HZAQMHFWSA-N	418.562	5.068	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	538043168	CUTGTZGJOKSTAJ-YLJYHZDGSA-N	412.518	5.300	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)cc2)nc1	539527597	NQTZCRSFRKYHDF-HXUWFJFHSA-N	419.868	5.043	30	20	HKED	
Cc1cc(Br)c(NCCCC2(C#N)CCOCC2)c(Br)c1	539710948	RPUJWVWFDGKTOX-UHFFFAOYSA-N	416.157	5.033	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(F)c1	540713196	NQVWWRWYUCEYJD-UHFFFAOYSA-N	402.425	5.040	30	20	HKED	
C[C@@H](NC(=O)NCc1ncc(-c2ccccc2)o1)c1ccc(-c2cccc(C#N)c2)cc1	541093016	LGRSAVXWZYXKQP-GOSISDBHSA-N	422.488	5.441	30	20	HKED	
Cc1sc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)nc1-c1ccc(Cl)cc1	544471278	NINNZRHLJOPRSR-ZIAGYGMSSA-N	424.957	5.321	30	20	HKED	
CNC(=O)Nc1cc(N[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	552319498	LZVCWSICUHYHNL-SECBINFHSA-N	423.332	5.788	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	554441005	KIBAWYBYUPVXCS-UHFFFAOYSA-N	406.408	5.344	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc2)cc1	556293077	NEGIOCICNGRAPP-UHFFFAOYSA-N	422.387	5.407	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1	559522978	RSXUBMGRFDRPNJ-MRXNPFEDSA-N	419.447	5.181	30	20	HKED	
CCCc1nc(C)c(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)o1	561793135	NPYTZLWMCDKWKX-UHFFFAOYSA-N	409.873	5.183	30	20	HKED	
COc1ccccc1-c1nc(COc2c(Br)cccc2CC#N)cs1	570762942	WGVXCYWFHPEJFP-UHFFFAOYSA-N	415.312	5.226	30	20	HKED	
COc1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C(F)(F)F)c1	572401491	BMCWNUWRNPEHBH-UHFFFAOYSA-N	424.263	5.063	30	20	HKED	
COc1cc(C#N)ccc1OCCSc1nnc(-c2ccc(C(C)(C)C)cc2)o1	576759330	BKBLVNOOPNRSJL-UHFFFAOYSA-N	409.511	5.085	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1	576810845	XBISVUQLSNNNPZ-UHFFFAOYSA-N	401.535	5.334	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)c2)cc1	581599258	XIKLKDWEASCUSE-DNQXCXABSA-N	415.468	5.148	30	20	HKED	
N#Cc1ccc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c(C(F)(F)F)c1	582877982	ZRWODFMCNLQTAI-MRXNPFEDSA-N	422.756	5.072	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2nc3ccccc3cc2Br)c(C#N)s1	583775781	CPDFUFPGZJCWSJ-UHFFFAOYSA-N	414.328	5.480	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCC(=O)N(CCCC)[C@H]2c2ccc(OC)cc2)n1	584009117	ZKONFDLEMICBKZ-FPOVZHCZSA-N	411.546	5.179	30	20	HKED	
CC(C)c1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	588349129	XRLOWYZJUXAMSX-LBPRGKRZSA-N	422.362	6.187	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-]	603613691	NJYZXQOPQLCJHZ-HNNXBMFYSA-N	409.467	5.364	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)nc3ccccc23)c(C#N)c1C	604480584	DDKXNKXNJLCTHT-UHFFFAOYSA-N	407.495	5.029	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1Cl	604528302	VDNNBNAXJAHHRS-PMACEKPBSA-N	415.880	5.060	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)C[C@H]3CCCc4ccccc43)s2)cc1	609371544	BXIGAVCNCZRDSA-GOSISDBHSA-N	420.563	5.151	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1C(C)(C)C	609378486	OPWKOZCTFGQSNP-UHFFFAOYSA-N	410.465	5.223	30	20	HKED	
N#C[C@@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	609460782	LPUROBKRNIZGOO-MRXNPFEDSA-N	417.214	5.162	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)nn1	610184290	ORCPQOWGAKRIAN-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc2ccccc21	611283358	PLXMPTBIUNMRAA-UHFFFAOYSA-N	424.485	5.399	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1C(C)(C)C	613407522	XBTJNVMAXKHJLS-ZDUSSCGKSA-N	400.935	5.515	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)csc1Br	613896198	WPAIPJVMMDSAKZ-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cc(F)ccc2F)nnc1[C@H]1COc2ccccc2O1	615341813	HYHWGZNVDUHZHT-ORAYPTAESA-N	415.465	5.108	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1cccc(C)c1	639426693	HWVAHLLKUWTMCM-FQEVSTJZSA-N	424.545	5.334	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ccccc1OC(F)F	674866985	UDPNQMZTJGWHQB-GFCCVEGCSA-N	400.878	5.018	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccc2ccccc2n1	676103617	DOQZEFYZFPGOOA-ZDUSSCGKSA-N	419.200	5.506	30	20	HKED	
Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	678028042	LGIMWDIXWLSZKL-CYBMUJFWSA-N	410.861	5.073	30	20	HKED	
C=CCCC[C@H](C)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F	678895276	MPOJAAYILQTDHA-LBPRGKRZSA-N	419.369	5.385	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	680491053	WIXWOVYWASGDAY-OCAPTIKFSA-N	424.719	5.872	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1Cl	726474867	KUOXBOJZFDGSEZ-UHFFFAOYSA-N	406.338	5.995	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(CCC)[C@@H]2CCc3ccccc32)c1=S	726589263	UCZMRNMIIHKMSG-OAQYLSRUSA-N	405.571	5.019	30	20	HKED	
CC(C)(C)c1nc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1	726859543	KGXGSPVMWQVDLY-LBPRGKRZSA-N	417.506	5.261	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Cc1ccc(F)cc1	727995804	FAPOHBFEEPUENA-GOSISDBHSA-N	402.469	5.402	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)cc1	729303838	ZESFYJBRNHYARP-UHFFFAOYSA-N	415.518	5.198	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2ccc(OC(F)F)c(Cl)c2)cc1	731489821	NNFQFOOSFKLKIJ-OQFOIZHKSA-N	408.832	5.367	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	732497033	KBGOQYUYPSIFMK-DNVCBOLYSA-N	403.532	5.286	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1cc(C(F)(F)F)ccc1F)CCCCC3	733200822	CKBZOPRBNRTNKC-UHFFFAOYSA-N	423.435	5.075	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)OCc3ccc(C#N)cc3F)ccc21	734623063	SWGTXRFMRBPOKQ-UHFFFAOYSA-N	405.351	5.004	30	20	HKED	
CC(C)C[C@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccccc1	735319401	ZVXREGOKDUDBKL-FQEVSTJZSA-N	416.974	5.379	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c1	735515346	MLSZUDBBTUKRAH-ZFWWWQNUSA-N	406.313	5.235	30	20	HKED	
CCCN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	735913127	CWWDIOHZGNXTMD-FQEVSTJZSA-N	405.523	5.155	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(S(C)(=O)=O)c(F)c3)ccc21	741843140	YYJLFIOLYBOLCY-FMIVXFBMSA-N	421.493	5.253	30	20	HKED	
CCC(CC)c1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)on1	743093829	YIOXLRBHQNDUAK-JOCHJYFZSA-N	402.498	5.555	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F	743096920	SOUQZFIRYUSJMQ-ZHRRBRCNSA-N	405.448	5.545	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2o1	744939309	VBIFWXCOWITQHW-AVRDEDQJSA-N	402.837	5.478	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c[nH]c3cc(C)ccc23)cc1	745948235	XSENEBDSANEXHB-HTAPYJJXSA-N	401.510	5.270	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2cc(F)ccc12)c1nc(-c2c(F)cccc2F)cs1	749030218	WUBFUAZXQKGNFC-CQSZACIVSA-N	412.392	5.393	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Cc2cccc(OCC#N)c2)cc1	760492251	UOJRNFPAAXETHX-IBGZPJMESA-N	414.505	5.027	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	767966817	ZUKIYVWAGGABIH-UHFFFAOYSA-N	423.516	5.235	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCCc2sccc21)c1nc(-c2c(F)cccc2F)cs1	771593552	BKNCLBUXTUDSHT-STQMWFEESA-N	400.475	5.446	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2cccc(Br)c2)ccc1OC	772987867	YSFHKRIFUQYXCD-OALUTQOASA-N	417.347	5.380	30	20	HKED	
C#CC[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1	775400054	HOKQEWOAQYQHOR-HSZRJFAPSA-N	403.551	5.299	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C)ccc2SC2CCCC2)c1	776323891	XZFYCUNENMSUNG-LJQANCHMSA-N	408.567	5.641	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc2c1	776909421	MNWSMOUAMYZGBP-UHFFFAOYSA-N	423.944	5.221	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)cc1	780160356	PQMNTXGMEBQGPP-INIZCTEOSA-N	400.434	5.225	30	20	HKED	
O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl	780820141	ZQHCTZGSJBSCLF-NSHDSACASA-N	418.671	5.065	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1nccc2ccccc12	792092779	DVLXHVGACRVRNJ-CXAGYDPISA-N	411.274	5.191	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1	792980462	BZXGEWPEOZIANH-UHFFFAOYSA-N	405.498	5.019	30	20	HKED	
CC(=NO[C@H](C)c1nnc(-c2cccs2)o1)c1ccc(Br)cc1F	795245484	BIMKTPJNJQGHBX-SNVBAGLBSA-N	410.268	5.202	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C#N)ccc1O	797747950	FKJPPLWQBKJVJA-UHFFFAOYSA-N	416.264	5.430	30	20	HKED	
N#CC1(CCCOC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCOCC1	800165469	PJJMOSIJSCXCSQ-DNQXCXABSA-N	419.521	5.013	30	20	HKED	
C#C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1F	806265940	SVHHGVINMQLETQ-GUYCJALGSA-N	401.894	5.369	30	20	HKED	
CC(C)Oc1ccc(-c2noc(-c3ccccc3OCC#N)n2)c(C(F)(F)F)c1	809378512	JEIZVZNIJYNIDX-UHFFFAOYSA-N	403.360	5.112	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3c(F)cccc3F)cc2)ccc1OCC#N	811699336	ZWNPANXSQQWQHW-VZUCSPMQSA-N	405.400	5.439	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2sc([C@H]3CCCOC3)nc2C)s1	814347765	YEARMJBQNWKMMA-HNNXBMFYSA-N	422.620	5.352	30	20	HKED	
CSc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)s1	814730793	FSLAXQCQCBXTOB-UHFFFAOYSA-N	401.369	5.206	30	20	HKED	
CC(C)(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	883979440	LOTGABNVJGJICW-UHFFFAOYSA-N	421.303	5.326	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1	915102359	XXFWRIHOISVEJG-KSSFIOAISA-N	423.519	5.384	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3sc4ccccc4c3Cl)cn2)cc1	916073993	JYOMWSBGDKFTCV-UHFFFAOYSA-N	405.866	5.866	30	20	HKED	
Cc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc(C)c1O	916272648	GFHYRSSACJKURY-UHFFFAOYSA-N	423.925	5.291	30	20	HKED	
COc1cc(C=Nn2c(C)nnc2C)ccc1OCc1c(C)cc(C(C)(C)C)cc1C	916350182	DONPYEOSRJJYKV-UHFFFAOYSA-N	420.557	5.279	30	20	HKED	
COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2)n1	917559281	GWJNJAFPLRQNDJ-YRNVUSSQSA-N	410.470	5.180	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3cc(C)ccc3C)n2)cc1	920142615	LQKHZZGGRFZXEK-LJQANCHMSA-N	406.507	5.081	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N=Cc1cccc(O)c1O	920833663	UCCSVWRDVDWRDI-UHFFFAOYSA-N	414.383	5.428	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(Oc2cc(F)cc(F)c2)cc1	921260900	GHXLUCSEFJHFSO-DJKKODMXSA-N	400.450	5.260	30	20	HKED	
Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1	1789490136	TZHKNGTVDZYPFL-GHRIWEEISA-N	419.550	5.039	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC=C)C(=C)C)CC1	1824141927	ANIDPEPTMYSMEJ-RPWUZVMVSA-N	412.618	5.143	30	20	HKED	
C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1OC	6077109	QYBLIZSDLRXXMN-UHFFFAOYSA-N	416.344	5.195	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccsc3)n2)nc2sccc2c1=O	14759167	PZJVIACQCYFNRE-UHFFFAOYSA-N	403.579	5.121	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2cccc(C)c2)cc1	22729381	XPBDKAACVIRLQB-UHFFFAOYSA-O	419.570	5.349	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1	24733596	HICAIANJXQTHDW-SFHVURJKSA-N	424.957	5.381	30	20	HKED	
N#C[C@H](C(=O)c1occc1COc1ccccc1)c1nc2ccccc2n1C(F)F	41557332	LWTMKDUIWYFEAD-MRXNPFEDSA-N	407.376	5.093	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	59996888	RJSKMEFIVOKJKU-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
Cn1cc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c(-c2ccncc2)n1	63277809	PUIRQHMPWVZRKW-VOTSOKGWSA-N	416.462	5.015	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	303184130	KUFNGZDTKOITSF-QGZVFWFLSA-N	400.478	5.800	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3coc(-c4cccs4)n3)cc2)c1	303320585	UZOCRTMAZLGGJT-UHFFFAOYSA-N	415.474	5.035	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(OC4CCCC4)c3)s2)cc1	303377003	LPDWCUXACAHQNR-UHFFFAOYSA-N	403.507	5.179	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)Nc1ccccc1SC[C@H](C)C#N	434159519	LLIROLDSLKJXTC-AEFFLSMTSA-N	419.554	5.697	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	439016178	WRVTXNQIEMALBW-YADHBBJMSA-N	404.510	5.400	30	20	HKED	
CCCc1c(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cnn1-c1cccc(C#N)c1	439230184	QTVZKVXARJZUQM-UHFFFAOYSA-N	412.497	5.142	30	20	HKED	
COc1ccc([C@H](NC(=O)NCC2CCC(C#N)CC2)c2ccccc2Cl)cc1	441001351	SQPSLHNICUZIII-XWTGJVNOSA-N	411.933	5.067	30	20	HKED	
N#CC1CCC(CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1	441137468	FWVNGEULEZPHDI-UHFFFAOYSA-N	401.746	5.921	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1)c1ccccc1	444141879	JUVRTIRIGRFLBN-HXUWFJFHSA-N	422.532	6.370	30	20	HKED	
CC[C@H](N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	447542803	KENIDPZZHOAQFC-LOSJGSFVSA-N	418.562	5.101	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	462074493	OFVGKLJTVHCEJV-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	463044573	OVUAYYFJBWTINW-CYBMUJFWSA-N	400.891	5.546	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	463044574	OVUAYYFJBWTINW-ZDUSSCGKSA-N	400.891	5.546	30	20	HKED	
C=CCN(C(=O)CCc1ccc(C)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	463096389	SXGMMKFTZCMZAS-UHFFFAOYSA-N	413.524	5.240	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1	466667002	VSCDTONKOQAPLF-OAHLLOKOSA-N	400.935	5.046	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(-c2ccccc2)c1	468964630	KXFOGVYXDDZYIL-FQEVSTJZSA-N	409.533	6.110	30	20	HKED	
CC(C)c1cc(Br)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	469312928	OQKTXPZGHWYGPV-UHFFFAOYSA-N	410.271	5.351	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1	475552065	BKMPXZASFCJEKY-UHFFFAOYSA-N	424.932	5.606	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1Cl	475986909	KTOUAGDECIFGRA-HNNXBMFYSA-N	400.787	5.665	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](c4ccccc4)C3)c2)cc1	476511958	LUXQZQWFEYHFDF-QHCPKHFHSA-N	411.505	5.353	30	20	HKED	
N#CC[C@H](CC(=O)NCc1ccc(OCc2ccccc2F)cc1)c1ccccc1	476681417	AIFHYDNOKUFLCH-OAQYLSRUSA-N	402.469	5.108	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)N(C)C(=O)N[C@H](C)c1ccc(C#N)cc1	476879331	FBJLXJCGZPDCLO-BEFAXECRSA-N	414.347	5.044	30	20	HKED	
N#CC[C@H](CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccccc1	476920436	JSPDUZALNBTNRJ-MRXNPFEDSA-N	404.407	5.080	30	20	HKED	
CN(Cc1ccc(Br)cc1Cl)C(=O)C[C@H](CC#N)c1ccccc1	477025209	MQNUGUIBWCLZFV-HNNXBMFYSA-N	405.723	5.148	30	20	HKED	
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	477998696	OYZYLZNUAPIRSD-AVRWGWEMSA-N	413.496	5.343	30	20	HKED	
Cc1cnc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(Br)c1	480793633	SAOGEJNYTXCCDZ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N	480808146	WVQAJQISJALIJZ-SNVBAGLBSA-N	412.481	5.035	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1-c1csc(C)n1	483419654	PEXVCFOZFLCLCB-UHFFFAOYSA-N	409.559	5.506	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccccc1	484205439	VQPLKIFCFRYLFG-FQEVSTJZSA-N	415.449	5.200	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)c1ccc(C(F)(F)F)cc1	489756182	RXBCHGFKMWXQPL-JZXOWHBKSA-N	402.407	5.399	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1	491203943	UTGLGMBGTRGTSL-GOSISDBHSA-N	421.478	5.244	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1OCC(F)F	497530832	FPMCANHEPYHADF-CRAIPNDOSA-N	419.859	5.288	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	497803366	CMFLWWZAIOQCSR-FCHUYYIVSA-N	420.434	5.621	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)o1	501609220	UZGHOHJQKNVKKK-IBGZPJMESA-N	420.896	5.231	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1cccc(OCc2ccccn2)c1	507657368	CFOHKZVXVGGKMV-VVJOPDHISA-N	411.549	5.715	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)cs2)cc1	509575259	NNNMOXAAPFZGLL-INIZCTEOSA-N	405.523	5.304	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCOc1ccccc1C	510870878	CFHPZOUSNFYHKU-UHFFFAOYSA-N	415.493	5.510	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@](F)(c4cccc(Cl)c4)C3)cc2)nc1	512392990	MWIKCUSAUNURLI-QHCPKHFHSA-N	421.859	5.110	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccccc2Br)nnc1-c1ccncc1	513275244	CGXHCXLMZQLOFF-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
Cc1ccc([C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCCC2)cc1	513371103	KDJYFOOFSZXDGB-SANMLTNESA-N	409.533	5.101	30	20	HKED	
C[C@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	514232531	MRPDVABFTGQNKT-UNMCSNQZSA-N	409.533	5.038	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1Cl	515241920	GDNQOEBRAFHYHG-QGZVFWFLSA-N	415.707	6.555	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)c2ccc(Br)cc2n1	515441896	ZZHRXRHVOOICLN-UHFFFAOYSA-N	424.298	5.241	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2	515685929	RWITYFAVFPHCOU-UHFFFAOYSA-N	410.882	5.354	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1	516800596	FMQJVUNRYLBFQH-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	517312787	JPUUEWJIIQBRQA-MGPUTAFESA-N	409.942	5.810	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC	517338174	AZGIDXPLWPEKPJ-UHFFFAOYSA-N	406.413	5.149	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1SCCC#N	517441130	NSILYHSEMAXYFD-UHFFFAOYSA-N	424.957	5.330	30	20	HKED	
C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1cccc(Cl)c1	517784404	NPPZXWYPJLSTSI-IBGZPJMESA-N	424.932	5.047	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccccc1OCc1ccccc1Br	519658020	XYSVNIPBNHYGKC-UHFFFAOYSA-N	415.331	5.088	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cccc1OCC(F)(F)F	521428186	JMCLOEGDCVJQDS-UHFFFAOYSA-N	405.420	5.250	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	521810587	VFURATAXPASSSC-SFHVURJKSA-N	402.608	5.057	30	20	HKED	
C=CC[C@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	522645918	QQPNJPKXUSJISJ-LBPRGKRZSA-N	410.417	5.459	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N(CC2CC2)C2CCCCC2)cc1	523621388	XJUWNIRYVRUONO-UHFFFAOYSA-N	417.553	5.908	30	20	HKED	
C[C@H](c1nnc(S[C@@H](C#N)C2CCCCC2)n1-c1ccc(Cl)cc1)N(C)C	524535765	RQTQUEQLBPZCPT-KDOFPFPSSA-N	403.983	5.108	30	20	HKED	
COc1ccccc1CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1	524664177	HMWROVBGTWNKGF-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Cc3coc4ccc5ccccc5c34)CC2)cc1	525945962	UNINEZGSRVDKON-UHFFFAOYSA-N	410.473	5.070	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)OCC	534395032	UCNAKRBXNRECTF-QFIPXVFZSA-N	420.509	5.015	30	20	HKED	
CCC[C@@H](C#N)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	535848872	YGDGPTWQTLQUNQ-ZDUSSCGKSA-N	423.416	5.187	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccccc2)nc1	538659493	AIYVGTSVNQWKQC-QGZVFWFLSA-N	403.507	5.160	30	20	HKED	
C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1-c1ccc(Cl)cc1	539286190	FLKHFHHBDUBLLY-INIZCTEOSA-N	414.896	5.779	30	20	HKED	
O=[N+]([O-])c1ccc(CN[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c(F)c1	541084479	IOHWTIMOGKUMLV-AWEZNQCLSA-N	412.261	5.026	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	543304908	RZQSNARWGNAYFX-LZJOCLMNSA-N	409.555	5.704	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1	547953888	DXHQJTWFWGTHHL-UHFFFAOYSA-N	424.287	5.394	30	20	HKED	
O=C([C@H]1CC[C@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	552211741	BRZKXBXJHGALFA-STQMWFEESA-N	411.361	5.471	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12	553085105	OFBXPMRKLMZDKG-UHFFFAOYSA-N	404.510	5.033	30	20	HKED	
C=CCc1cc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc(OC)c1OC	553742489	TVNZIOMSBJSTOR-UHFFFAOYSA-N	422.500	5.073	30	20	HKED	
C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(OC2CCCCC2)CC1	559004070	QYKTYKDAEXFVRJ-UHFFFAOYSA-N	424.589	5.060	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(-c3ccccc3C#N)cc2)ccc1OC(F)F	561017415	QTSWQZPUDHREOL-INIZCTEOSA-N	408.448	5.686	30	20	HKED	
CCCOc1c(Cl)cc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)cc1OC	569388045	NFKNOFDHHWESJE-INIZCTEOSA-N	411.889	5.427	30	20	HKED	
N#Cc1ccc(CN[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)nc1	571072520	SDWVXESZHCKHOW-NRFANRHFSA-N	400.284	5.473	30	20	HKED	
COc1c(NCc2ccc(-c3ccccc3C#N)cc2)cc(Cl)cc1C(=O)N(C)C	573462972	BVCXUWIZEPDHIV-UHFFFAOYSA-N	419.912	5.201	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	573874081	QDSPKCWZAJIEOP-YCRPNKLZSA-N	419.868	5.646	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1	581848912	RRXQNWZDDHPRLB-CALCHBBNSA-N	410.480	5.057	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nc(C)n1	591861979	GSHKKXKQURFXBW-JTQLQIEISA-N	410.713	5.758	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	603522107	MBICVNLEPVGDSF-HKWRFOASSA-N	419.484	5.458	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc1	603964165	UGZNESZTPMUAQQ-UHFFFAOYSA-N	407.926	5.073	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)Nc3cccc(OCCCC#N)c3)cs2)cc1	603971126	XXCVSXDNXKYGCF-UHFFFAOYSA-N	419.550	5.797	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCCOc3ccccc3F)c2)c1	604174723	MJCRCAFRJCAXTM-UHFFFAOYSA-N	404.441	5.074	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccn1	609206444	JZXQFNPKSNBZKP-NZQKXSOJSA-N	418.928	6.053	30	20	HKED	
N#CCn1c(C(=O)Nc2nc3cc(C(F)(F)F)ccc3s2)cc2ccccc21	609215652	HLYJCXBJTDJUQI-UHFFFAOYSA-N	400.385	5.046	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	609376502	BMHUDFNRKCMUMI-INIZCTEOSA-N	421.591	5.860	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Oc2ccccn2)cc1	609384545	NYNRZZWRRDREQZ-KRWDZBQOSA-N	419.506	5.286	30	20	HKED	
CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	609772969	QMHAKYBHANGAIK-FPOVZHCZSA-N	409.555	5.241	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)n1	610039825	BRFAWYYIFPHVDV-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
CCOc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346719	ORMSJSFDPFDUJM-HNNXBMFYSA-N	417.317	6.006	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	614928971	VFNJSGIIZQBTRC-UHFFFAOYSA-N	405.420	5.184	30	20	HKED	
COc1cc(CNCc2ccc(C#N)c(Cl)c2)ccc1OCc1ccc(F)cc1	619748973	USVQJAZVLMCWDS-UHFFFAOYSA-N	410.876	5.228	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1	643192606	ZXWYQHHOHTUEIO-UHFFFAOYSA-N	415.276	5.998	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)s1)c1nc(-c2c(F)cccc2F)cs1	671759069	SXDUOXZCXKHTGI-QMMMGPOBSA-N	414.380	5.659	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc(-c2ccccc2)nc1C(F)F	672218130	JSUAPNBNEAVWET-UHFFFAOYSA-N	418.465	5.052	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cn(C)c4ccccc34)c2)cc1	726740695	ORXWUELMKVBZBG-XNTDXEJSSA-N	410.473	5.335	30	20	HKED	
Fc1ccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)cs2)cc1	727434541	KOUGRTGMUXPTHN-UHFFFAOYSA-N	419.481	5.474	30	20	HKED	
CC/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	731077900	LNYNMWJPTMIQNM-KCGBVJQISA-N	408.523	5.056	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1	732529845	AEUNZLUDIXKVCU-UHFFFAOYSA-N	400.935	5.314	30	20	HKED	
FC(F)(F)c1cc(NN=C2c3ccccc3-c3ccccc32)nc(-c2cccnc2)n1	733080588	ROMKAOUZQZMHSR-UHFFFAOYSA-N	417.394	5.402	30	20	HKED	
C[C@@H]1CCCC[C@H]1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	733680317	ZQNHSJFINSGPPZ-XFHNUULXSA-N	423.365	5.888	30	20	HKED	
C#CCOc1cccc(NC(=O)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	733844754	BULBWNMCBYZUHS-MRXNPFEDSA-N	421.522	5.022	30	20	HKED	
CC(=NOCc1nc(-c2ccc(Br)s2)no1)c1cc2ccccc2o1	733997559	AAKSCDJYCIDUGU-UHFFFAOYSA-N	418.272	5.248	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCc2cc(Cl)ccc2OCC#N)c1	735344259	HSMUCBZDPTZNES-MRXNPFEDSA-N	401.890	5.185	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccsc1	739156735	PQGDXIVREVYSEC-YGRLFVJLSA-N	407.347	6.158	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN(CC)[C@@H](CC)c2ccncc2)c1=S	739888778	VTXRLPAURCNLKK-NRFANRHFSA-N	407.587	5.401	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Cc3ccccc3)C(C)C)n2)cc1	740542322	PWZMTXOIJQOEQU-LEWJYISDSA-N	404.535	5.510	30	20	HKED	
C/C(=C\C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1C(F)(F)F	741936997	QKVXYSFIZSPZFK-CSKARUKUSA-N	419.287	5.452	30	20	HKED	
CC(C)CO[C@@H](C)c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1	745993863	WLPLVMRDVXSLCL-INIZCTEOSA-N	424.476	5.005	30	20	HKED	
COc1sc(/C=C\C(=O)c2sccc2Br)cc1Br	746520058	JPSMCUIYGSFNDG-IHWYPQMZSA-N	408.136	5.239	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2ccc(C#N)s2)C(=O)c2ccccc2)c(Cl)c1	748999728	SHTPPBYYPDZRDY-UNOMPAQXSA-N	420.921	5.795	30	20	HKED	
Cc1ccc(CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1	751151985	ISQKLHAPJHKKLO-MRXNPFEDSA-N	408.495	5.042	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1C#N	752198668	QRSPXAJKLUMPAV-UHFFFAOYSA-N	421.478	5.264	30	20	HKED	
COc1cc(C=NOc2ccccc2C(F)(F)F)ccc1OCc1ccccc1	754712379	NQUPNOKDEUWWHK-UHFFFAOYSA-N	401.384	5.706	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1cc(Cl)ccc1OCc1cccnc1	754712775	STDFSWFZKVUWKJ-UHFFFAOYSA-N	406.791	5.746	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)CSc1ccc(F)cc1	756233298	JBBYAFLQOTWKQQ-MGPUTAFESA-N	412.530	5.026	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	759037386	XBNSRPMLYTXRLV-SJORKVTESA-N	417.575	5.057	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3ccccc3Oc3cccc(F)c3)CCO2)c1	761840419	YLAHPAJCLONPKG-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
CCOCCC1(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCCC1	763482667	ZCNKBLYFGXVAFP-AWEZNQCLSA-N	410.461	5.478	30	20	HKED	
CCS[C@@H](C)c1noc(COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	767348660	YNSXQAAXPAXNEH-HNNXBMFYSA-N	423.494	5.099	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1	772984350	NCUYKHXAHSWLOG-UWJYYQICSA-N	405.567	5.959	30	20	HKED	
COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCc2ccc(OCC#N)cc2)c1	775459883	PIXGLGHGAWPKHW-SANMLTNESA-N	400.522	5.288	30	20	HKED	
N#CC1(c2ccc(COC(=O)CCc3ncc(-c4ccccc4Cl)o3)cc2)CC1	777145355	YDSHKFYFABWQNW-UHFFFAOYSA-N	406.869	5.226	30	20	HKED	
C#CC[C@@H](OC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccccn1	777312618	AVHAWSJHNOGOFW-HXUWFJFHSA-N	416.506	5.057	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCC(=O)N(Cc1ccco1)C1=CCCCC1	777569852	JTUPZZALXNTCER-UHFFFAOYSA-N	421.444	5.144	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc(F)c(N4CCCCC4)c(F)c3)CC2)cc1	779138326	VEPTUDKXPWHVPQ-UHFFFAOYSA-N	422.479	5.148	30	20	HKED	
N#Cc1cc(N[C@H](c2ccccc2)c2ccc(Cl)cc2)ccc1N1CCC(O)CC1	779160841	ZYIMAADXGNXOKZ-RUZDIDTESA-N	417.940	5.374	30	20	HKED	
C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN2CCC(C)(C#N)CC2)c1=S	779878459	AKXXMSGIUCHGKM-IBGZPJMESA-N	417.582	5.274	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2C)nc1C)c1ccccc1	787033701	WPZAYNXRJXRNIB-PMACEKPBSA-N	417.534	5.017	30	20	HKED	
CCCOc1ccc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc1OCC	787168456	ILWIGILAXCDJFZ-ZHZULCJRSA-N	406.482	5.029	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1	789717968	BSZUXGIJJDHVAF-UHFFFAOYSA-N	420.553	5.526	30	20	HKED	
Cc1c(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)sc2ccc(C#N)cc12	796616063	YNHMAMCFAUMZDN-UHFFFAOYSA-N	409.854	5.142	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2cccc(C)c2)c2cccc(F)c2)ccc1OC	800975041	VQYXCTQQZXBFLD-JYFHCDHNSA-N	418.512	5.703	30	20	HKED	
COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	810115470	ZDHFSPBQFSBACC-FQEVSTJZSA-N	404.853	5.034	30	20	HKED	
C#C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccc(Cl)cc1	812352496	PQJUBAAWLIBEOA-SFHVURJKSA-N	408.910	5.067	30	20	HKED	
N#C[C@H](C(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)c1cc(C(F)(F)F)ccn1	813218476	WFNIHIQPNIYONH-SIKLNZKXSA-N	421.422	5.081	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2sc([C@@H]3CCCOC3)nc2C)s1	814347774	YEARMJBQNWKMMA-OAHLLOKOSA-N	422.620	5.352	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC([C@@H](O)c2ccccc2)CC1	915342736	GMYGCYUGKPHSIO-SANMLTNESA-N	410.517	5.064	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C/C(=O)Nc1nc(C)c(SCC#N)s1	916088467	MZDWWSPRIWHAIY-CMDGGOBGSA-N	424.551	5.056	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1	916882727	BLUWYRHBKGSDET-VSRBDQBUSA-N	406.841	5.015	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl	916928943	YYFXJRBOCXRZFK-AWEZNQCLSA-N	409.700	5.235	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl	916932471	WCBOOJVJZBLLCF-OAHLLOKOSA-N	409.700	5.317	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917046422	JYSKXDAAADCDBX-GFCCVEGCSA-N	413.911	5.394	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1	920326326	CETFJNWVUUEFNK-PXNSSMCTSA-N	422.531	5.030	30	20	HKED	
N#CCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2cccs2)c1	921280914	ONFYQAGGNWSNFJ-UHFFFAOYSA-N	420.515	5.941	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(Oc3ccccc3)c(Cl)c2)cc1C#N	1627163581	FOABRQURZPWSKO-UHFFFAOYSA-N	411.870	5.079	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(F)cc4F)cc3)CCC2)C1	1786589341	CLLNDSHCPCFAPQ-ONNFQVAWSA-N	422.475	5.078	30	20	HKED	
C[C@@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1	1790083009	WNKCUEZRAHEZRE-CMJOXMDJSA-N	421.928	5.005	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(C)c(C)c1	11164698	ZUWAFXPIGPFUKA-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1	44142930	BQOFHAJGZNISLZ-UHFFFAOYSA-N	405.951	5.104	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1	47446520	YJKNGOZPSGGEPO-UHFFFAOYSA-N	411.505	5.171	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1	56379486	OCFIAIZVQFAMDO-IBGZPJMESA-N	414.553	5.252	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1	56740293	JTDVFMWWDSCXSW-UHFFFAOYSA-N	418.541	5.065	30	20	HKED	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	303377426	UZMHESZRFYLGRF-MSOLQXFVSA-N	410.539	5.008	30	20	HKED	
CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](CCCC#N)c1ccccc1	431304311	FYBAEYQVJYVVOU-RPWUZVMVSA-N	418.585	5.021	30	20	HKED	
N#CCCC[C@@H](NCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccccc1	433019524	KCYRHYMCQGWZMF-QPPBQGQZSA-N	421.541	5.118	30	20	HKED	
CCSCC[C@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437731623	KRSLETRUSGYJPN-OXJNMPFZSA-N	415.990	5.991	30	20	HKED	
CCCc1c(NC(=O)c2sc(C3CCCC3)nc2C)cnn1-c1cccc(C#N)c1	440077959	MJRPSUMTGRCZDU-UHFFFAOYSA-N	419.554	5.371	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1ccccc1Cl	441003368	XRMNVLGTXNUNLG-XWTGJVNOSA-N	411.933	5.067	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1	441541842	LHYUSIDMOFWBOE-FQEVSTJZSA-N	401.432	5.426	30	20	HKED	
N#Cc1c(NC(=O)c2c(F)ccc(Br)c2F)sc2c1CCCCC2	447199642	LMRBGAHMZJFIJL-UHFFFAOYSA-N	411.271	5.182	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(Cc2ccc(F)cc2)no1	447402093	GFKOYQWZEMPXPI-MRXNPFEDSA-N	414.440	5.637	30	20	HKED	
Cc1ccccc1-c1nnc(Sc2nc(C)c(C#N)cc2Cl)n1Cc1ccco1	461723901	ZFXZMCVTJGGBJS-UHFFFAOYSA-N	421.913	5.275	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(C(F)(F)F)nc1C	463395740	RLMKQKGLCMKQIC-UHFFFAOYSA-N	418.400	5.090	30	20	HKED	
CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	467455293	CBTDGAWKSVZCFP-IRLDBZIGSA-N	423.582	5.584	30	20	HKED	
CC(C)c1cccc2c1OCCC[C@@H]2Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469010406	MYBTVPHXUHRTFN-QHCPKHFHSA-N	417.553	5.719	30	20	HKED	
N#Cc1cc(F)c(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c(F)c1	469204617	CFBOWBDCKNNOGK-HXUWFJFHSA-N	400.787	5.148	30	20	HKED	
N#Cc1ccc(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C(F)(F)F	471682934	NWEWAHHNJMQNDX-UHFFFAOYSA-N	413.186	5.546	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3coc4c(C)cc(Br)cc34)[nH]c12	473521833	RNBRFODBDNLYOC-AWEZNQCLSA-N	408.255	5.179	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1)c1ccccc1	475022001	FKOHOGFCDXAGMP-FQEVSTJZSA-N	407.477	5.165	30	20	HKED	
C=CCCC1(C(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)CC1	475123013	WAYQBAGVBYACBQ-UHFFFAOYSA-N	409.486	5.033	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)CCc1ncc(-c2ccccc2Br)o1	475738944	KDAKARIGBVFOPQ-UHFFFAOYSA-N	418.335	5.015	30	20	HKED	
C=C(C)[C@@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1ccc(F)c(F)c1	478917159	JANBVNVVVKGWKL-RNODOKPDSA-N	401.482	5.069	30	20	HKED	
C=C(C)[C@H](NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)c1ccc(F)c(F)c1	478917160	JANBVNVVVKGWKL-XCLFUZPHSA-N	401.482	5.069	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccncc3Br)c2C#N)C1	479067598	XUWZNIIOXIPRAO-NSHDSACASA-N	418.360	5.181	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCCC(=O)c1ccc(C)cc1	479110846	UNPPFDRGPDWWPE-UHFFFAOYSA-N	407.539	5.025	30	20	HKED	
C[C@@H](SCc1ccc(C#N)c(F)c1)c1nc(O)c2c(-c3ccco3)csc2n1	479520996	ZPZIIXVYHLNHES-LLVKDONJSA-N	411.483	5.662	30	20	HKED	
Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2cc(F)ccc21	483522701	IBPWNHBKNPKHKI-CYBMUJFWSA-N	411.408	5.209	30	20	HKED	
CC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)nc1C	486247658	ZAZDIJVMYQLJSV-UHFFFAOYSA-N	421.444	5.178	30	20	HKED	
N#Cc1ccc(Br)c(C[S@](=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	491603509	DHNFVHVFUCCCJA-QHCPKHFHSA-N	422.653	5.301	30	20	HKED	
COc1ccc(NC(=O)[C@@H](Sc2ccc(C#N)cn2)c2ccccc2)cc1Cl	495272122	KBKDXOKJZVMCNJ-FQEVSTJZSA-N	409.898	5.087	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)nc12	497933783	MEVZGPIMZGJYLE-AWEZNQCLSA-N	410.355	5.035	30	20	HKED	
C=CCn1c(SCCCC(C)=O)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	498065058	UOTRCIQXMRNANN-UHFFFAOYSA-N	416.543	5.220	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1	498124538	YVEVQKVXHXVIIL-SFHVURJKSA-N	415.440	5.581	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)cs1	498325674	LTDARYJRSAWNCG-UHFFFAOYSA-N	419.575	5.420	30	20	HKED	
N#CCCn1cc(CNCc2ccccc2Sc2ccccc2)c(-c2ccccc2)n1	500923772	VIVLYAUAWGHXRY-UHFFFAOYSA-N	424.573	5.905	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4ccccc4)no3)c2)cc1	501462455	OYJGCDBFGDFTNN-UHFFFAOYSA-N	409.445	5.239	30	20	HKED	
CCN(Cc1csc(COc2ccc(Cl)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	505462303	QDCKTHQOMPWSKB-INIZCTEOSA-N	411.958	5.830	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccc(Cl)cc1	505814772	IAMDJNIBTQJEKP-INIZCTEOSA-N	410.886	5.040	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1C(F)F	507369281	JCUORQFEEZJAEF-CHWSQXEVSA-N	418.328	5.528	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	508274876	DOCRTWKIQZVCLK-INIZCTEOSA-N	417.465	5.250	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1	510506240	OEGUYRHJNFYARG-SFHVURJKSA-N	415.493	5.386	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21	512526582	HWMYSUXWITXUBP-CQSZACIVSA-N	415.324	5.018	30	20	HKED	
C[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(C#N)cc1F	512620848	SZFBYZJELYJGQS-OAHLLOKOSA-N	406.423	5.115	30	20	HKED	
N#CC1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(Br)c2)CC1	512683786	XLMRRMIOJYEAIP-UHFFFAOYSA-N	421.342	5.037	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1	512722243	CMVYNYMQTRGSCF-MHZLTWQESA-N	400.931	5.045	30	20	HKED	
C=C(C)CN(CC)C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12	512982707	HOFZIVOAYQIIMZ-UHFFFAOYSA-N	406.526	5.209	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	515691725	WSJLSTCWPHBNKI-AUUYWEPGSA-N	401.491	5.134	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c2)cc1	517098312	YTFRQVGZBXJVQX-WWVRUBFXSA-N	402.494	5.010	30	20	HKED	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	517442459	UGFZMBZXKUXQSN-AWEZNQCLSA-N	420.419	5.175	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	517614576	PWAAQPGRPUUMPS-ROUUACIJSA-N	410.587	5.332	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N	518049043	JKLCKCDPJGAEFY-UKRRQHHQSA-N	424.957	5.321	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	518754427	LHOLEKAITJZMGZ-INIZCTEOSA-N	414.465	5.192	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519064202	MWVHKXRIJANESC-MRXNPFEDSA-N	403.507	5.512	30	20	HKED	
C=CCn1c(SCCCOc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1	520688900	PDKJFKOEVQLFHG-UHFFFAOYSA-N	420.460	5.106	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	520916322	WUMSSQDYUPYZSG-UHFFFAOYSA-N	418.522	5.547	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(F)cc(Br)c1	520940310	NCZLWTOPQJZAOG-GFCCVEGCSA-N	422.323	5.304	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1	521259711	QCAMZHWQGDWKKH-INIZCTEOSA-N	417.538	5.136	30	20	HKED	
C=CC1CCN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CC1	521957603	NAMNAWVONMVNBY-UHFFFAOYSA-N	408.571	5.396	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCOc1ccc(C(F)(F)F)cc1	524565042	DXSCGLSCCIYEAA-CQSZACIVSA-N	423.460	5.158	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCc1cccc2ccccc12	532522730	NVXJSURQAYNWCL-LJQANCHMSA-N	417.578	5.347	30	20	HKED	
Cc1sc(NC(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1c(F)cc(F)cc1F	538515755	NTIKFWKCYXXGIW-UHFFFAOYSA-N	413.424	5.343	30	20	HKED	
COCCc1ccc2oc(NCc3cccc(OCc4cccc(C#N)c4)c3)nc2c1	538603060	CDJNWBSXDITSSI-UHFFFAOYSA-N	413.477	5.079	30	20	HKED	
N#CC1(CSc2nc3scc(-c4ccco4)c3c(=O)n2-c2ccccc2)CC1	538660164	UJGPFQMLWURGDQ-UHFFFAOYSA-N	405.504	5.103	30	20	HKED	
C[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)c(F)c1	539606630	MYGNPNODTCXGAQ-GFCCVEGCSA-N	405.420	5.690	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nn1[C@H](C)C1CC1	539631485	LCKKNQSCFBGLGA-CQSZACIVSA-N	402.523	5.114	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1	541086177	HBRCVPHGHYAWDU-UHFFFAOYSA-N	403.294	5.025	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	541638047	FXFHGXJPZNFETQ-XLIONFOSSA-N	423.406	5.059	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	543327773	ZCUDCYQOCYOCMH-YJYMSZOUSA-N	403.404	5.201	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	544460578	PWDDWTTTXFMLHR-GBXCKJPGSA-N	400.453	5.014	30	20	HKED	
N#Cc1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)cc1Cl	548307490	MKIPSNJSOVYVJZ-IBGZPJMESA-N	424.863	5.158	30	20	HKED	
O=C(CC(F)(F)F)Nc1ccc(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1	548936937	AZTVUTSSVBNYLG-UHFFFAOYSA-N	423.288	5.379	30	20	HKED	
N#Cc1ccc2ncc(CN[C@@H](c3ccccc3)c3cc(Cl)ccc3Cl)n2c1	551552742	QTETWELSGFNFBI-QFIPXVFZSA-N	407.304	5.392	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(s3)CCCCC4)n2)cc1	552044310	ZSXWCUCGYVQURL-KRWDZBQOSA-N	408.548	5.639	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc(F)cc2nc[nH]c12	552460935	WNPJVZNGHQLEAS-UHFFFAOYSA-N	419.300	5.012	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCCCCc3ccc(F)cc3)CC2)c(F)c1	552688933	LWTIZFZJGWVJDV-UHFFFAOYSA-N	412.480	5.009	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccccc1OCc1ccc(Br)cc1	554099168	PDPWUUFTUAVYRM-UHFFFAOYSA-N	415.331	5.088	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2COc3ccccc32)cc1Cl	564166247	QXTYLQXWLAZRLP-UTKZUKDTSA-N	417.896	5.293	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN(C(=O)c3occc3COc3cccc(C#N)c3)C2)cc1	583218611	FAVVUOHJNQFGDL-QFIPXVFZSA-N	414.505	5.134	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCC#Cc1ccccc1	592480343	XNTFFKQWONVDDJ-MRXNPFEDSA-N	409.942	5.184	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F	603748654	XTNHGEOXQUGFHY-UHFFFAOYSA-N	424.316	5.450	30	20	HKED	
CC(C)[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(C(C)(C)C#N)cc1	603757083	JBIBLIQNZYQGNO-IBGZPJMESA-N	415.331	5.292	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1	604929866	ZGOSPVRZOYUNIL-SFHVURJKSA-N	413.820	5.635	30	20	HKED	
N#CCCCOc1cccc(CNC2(c3ccc(Br)cc3)CCCC2)c1	608861130	VKLYQABJGQVOKS-UHFFFAOYSA-N	413.359	5.691	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1	609187716	VBPRHZTXIYJTBR-GOSISDBHSA-N	423.538	5.107	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	609430826	BXHKLWPXKKNAIO-INIZCTEOSA-N	421.591	6.002	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)cc2)cc1	609498024	JGHDJTADFKPOII-UHFFFAOYSA-N	412.464	5.614	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C#N)c2ccccc2Br)c1	609593499	XTKNXZBRXZBDJA-HNAYVOBHSA-N	415.331	5.029	30	20	HKED	
CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609744009	YWWYAPOAPRDLJS-GOSISDBHSA-N	400.482	5.578	30	20	HKED	
C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610015374	GNGWRNITUWJXBR-OAHLLOKOSA-N	402.429	5.036	30	20	HKED	
N#Cc1ccc(-c2nnc(CSc3nc4ccccc4n3-c3ccccc3)o2)cc1	610218999	QKMIMIVJCKYFDO-UHFFFAOYSA-N	409.474	5.239	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1	611387684	SEORNTLYFANSJC-MRXNPFEDSA-N	404.539	5.113	30	20	HKED	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc(C(C)(C)C)ccc1C#N	613426677	HVRYYKPZUSQLFR-UHFFFAOYSA-N	405.329	5.023	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccn([C@H](C)c2ccccc2)n1	615024785	SAOVDCTZKNBDMO-IAGOWNOFSA-N	405.527	5.388	30	20	HKED	
CCOC(=O)c1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1Cl	618193495	OBRZTUSRCANIDN-UHFFFAOYSA-N	409.873	5.027	30	20	HKED	
O=C(Nc1ccccc1OC(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642409956	NKOLFBHHGLSWCE-MYJAWHEDSA-N	420.300	5.319	30	20	HKED	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S	726801100	DNSHSHIARUDEFH-WLVMFVESSA-N	408.548	5.332	30	20	HKED	
O=C(Nc1cccc(SC(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	727597490	GAVKQGVZEFXSQQ-IUCAKERBSA-N	422.341	5.596	30	20	HKED	
O=C(/C=C/c1nccn1CC(F)(F)F)c1ccc(OCc2ccc(F)cc2)cc1	728696947	BOCWJEONARZAIE-MDZDMXLPSA-N	404.363	5.060	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)c2ccccc2)c1	730689418	GQHLONWTDVZZRG-OFVILXPXSA-N	410.473	5.948	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)n2)cc1	731289308	UGOAMJCMDDWGAX-DNVJHFABSA-N	419.509	5.815	30	20	HKED	
CCCCc1ccc(NC(=S)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1	733208592	GMLABBYKILQSJO-FQEVSTJZSA-N	411.571	5.205	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2SC)ccc1OC	733627857	HXBXKJKZOIXIAL-HNNXBMFYSA-N	419.934	5.073	30	20	HKED	
C[C@H](OC(=O)c1cnn(C)c1C(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	733708912	DCBNCTIDRAFLRD-ZETCQYMHSA-N	416.268	5.313	30	20	HKED	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	734081045	DKSPOWRZOSNWFR-DNVCBOLYSA-N	405.523	5.146	30	20	HKED	
N#C[C@H](C(=O)COc1ccccc1-c1ccccc1)c1nc(-c2ccncc2)cs1	734084069	VHZFCRJBDHLXNV-HXUWFJFHSA-N	411.486	5.127	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1)c1ccncc1	734457177	HKKUKQRNEWPZEE-NRFANRHFSA-N	422.912	5.370	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)[nH]c12	735790590	NSQYEXPNHCYFPR-NRFANRHFSA-N	407.473	5.378	30	20	HKED	
N#CC(CCOC(=O)c1coc(-c2ccccc2)n1)(c1ccccc1)c1ccccc1	738843288	ULZULQPMGIELEK-UHFFFAOYSA-N	408.457	5.398	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(F)(F)F)c1	739161889	UYSOOYUAXWLUNT-SUMWQHHRSA-N	415.440	5.594	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C\C(=O)c1c(C#N)c2n(c1C)CCC2	740765821	VNHWFFNSMMKKKQ-KHPPLWFESA-N	418.928	5.026	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(NC(=O)C(C)C)ccc1Cl	741527779	VXLJETVRBNGVAW-UHFFFAOYSA-N	421.280	5.077	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c(C(F)(F)F)c1	747205097	PLKKJSKZGSWTKP-HNNXBMFYSA-N	422.834	5.445	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1OC(F)F	753228650	NTHCUZFSSMFQPJ-BUYIWHAFSA-N	402.466	5.724	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(CCC(F)(F)F)c2)cc1	754015802	ZRWASJSHKIVQAJ-KRWDZBQOSA-N	403.448	5.237	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	754531359	KXGGSDFNOFTMOL-TVQRCGJNSA-N	407.417	5.290	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1	757654734	JABJWJVLWQLMCW-OAQYLSRUSA-N	405.885	5.013	30	20	HKED	
N#Cc1cc(NC(=O)c2cc3ccccc3cc2OC(F)F)c(Cl)c([N+](=O)[O-])c1	764301560	NXCOCQMOXSLYFC-UHFFFAOYSA-N	417.755	5.127	30	20	HKED	
C=CCN(C(=O)c1cnc(Cl)c2ccccc12)c1nc(-c2ccccc2)cs1	766349480	JWSWEADKAZAPSK-UHFFFAOYSA-N	405.910	5.845	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(C(F)(F)F)cc1Cl	775483885	VMMOKKNPVRXRBD-UHFFFAOYSA-N	403.791	5.108	30	20	HKED	
COc1cccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2cc(F)ccc2OC)c1	776163163	PTMWYNLDBHDUNZ-SSOJOUAXSA-N	420.484	5.185	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1	780669541	DAISCSMARLSICX-AOMKIAJQSA-N	421.447	5.361	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc3ccsc23)cc1	785276129	BXAGSWAZNPKIHR-HXUWFJFHSA-N	411.486	5.134	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(N2CCCCC2)cc1	786956481	FQMVFMYACJDKJP-FQEVSTJZSA-N	416.569	5.433	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	789890557	SBDVBFIQNVTXEA-GOSISDBHSA-N	400.563	5.514	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccccn2)nc2ccccc12	791144491	DAZTYFSGRFWFGZ-UHFFFAOYSA-N	407.517	6.401	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nccc2ccccc12	792097914	YXVIXRBVDXQJDN-CQSZACIVSA-N	403.290	5.442	30	20	HKED	
Cc1sc(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(C#N)c1C	796520108	NNIDGPKEQFIFDY-UHFFFAOYSA-N	411.527	5.177	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1ccncc1	797460022	MDFGDYOQMVCLTK-OALUTQOASA-N	418.310	5.147	30	20	HKED	
Fc1cc(NCc2ccc(Cl)nc2C(F)(F)F)ccc1OCC(F)(F)F	799968604	QPCFWWWJTPKXCB-UHFFFAOYSA-N	402.697	5.446	30	20	HKED	
N#CC1(CCCOC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCOCC1	800165470	PJJMOSIJSCXCSQ-RPWUZVMVSA-N	419.521	5.013	30	20	HKED	
C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(Oc2cccnc2)cc1	806607761	PYLVSRIINADMJA-AWEZNQCLSA-N	408.914	5.447	30	20	HKED	
CCCC(=O)Nc1ccc(C2=NNC(=Nc3ccccc3C(F)(F)F)SC2)cc1	806673377	GRYCGSRPCRIBMF-UHFFFAOYSA-N	420.460	5.172	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](O)c2ccc(Cl)cc2)cc1Cl	813410253	OANXTEJMNVMKMV-PZJWPPBQSA-N	411.288	5.321	30	20	HKED	
COc1ccccc1-c1ncc(CNc2ccc(OCc3cccc(C#N)c3)cc2)cn1	814168771	VZMVWRRDWWAFEV-UHFFFAOYSA-N	422.488	5.215	30	20	HKED	
CN(c1ccccc1)c1ccc(C=Nn2c(S)nnc2-c2ccccc2F)cc1	916319578	ALAIOGKQKCKEQB-UHFFFAOYSA-N	403.486	5.023	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)oc2c1ccc1ccccc12	916882812	LBHUSBUJUAGSIO-LJQANCHMSA-N	402.837	5.509	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C)n(C3CCCCC3)c2C)c1	916896380	FRRJNMXDVPTFMQ-OTOIZHKDSA-N	403.526	5.279	30	20	HKED	
Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1c[nH]c2cc(Cl)ccc12	918709969	AEAQWERSWDBUBS-UHFFFAOYSA-N	422.728	5.558	30	20	HKED	
Cc1cccc(-c2cc(NC(=O)c3ccccc3OCC#N)n(Cc3ccccc3)n2)c1	919992936	FVDCSEMQXXWAEX-UHFFFAOYSA-N	422.488	5.062	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1	920101535	CVEMYXNKFNZPIE-GOSISDBHSA-N	420.559	5.550	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cn3ccc4ccc(Cl)cc43)n2)cc1	920143944	LRJVXXLKUWHSGU-GOSISDBHSA-N	421.909	5.303	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cccs2)[n+]2ccc(C(C)(C)C)cc2)c1	1251502776	UVUQRDZDGJGKHK-UHFFFAOYSA-O	419.595	5.638	30	20	HKED	
N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)cc3)CCC2)cc1	1787650755	SVQKXJJSPFDSFS-UHFFFAOYSA-N	409.489	5.015	30	20	HKED	
C[C@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1	1790424861	JPJAILKLQGOZFE-NPMXOYFQSA-N	421.928	5.005	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4s3)CCC2)cc1	1791247831	JCLYZPGVURQBAH-MRXNPFEDSA-N	419.550	5.256	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3cccs3)CCC2)cc1	1791301272	YLZBDQDVMAVCFC-HNNXBMFYSA-N	418.509	5.197	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1	1791593631	YXYFYSYOSXDZDD-UHFFFAOYSA-N	406.526	5.188	30	20	HKED	
C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1	1822117213	WFVMGFJXTOVFBC-FQEVSTJZSA-N	414.594	5.202	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCCC2)CC1	1823750385	IJYUJGRTSNYTKI-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1	1832607170	FETSGHGQRBWPJC-XMSQKQJNSA-N	416.993	5.094	30	20	HKED	
C=CCN/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(CC)CC)cc1	22687860	QJDVWYTZUJBSDQ-UHFFFAOYSA-O	407.603	5.081	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1c(C)cccc1C	22693823	UWTHFDYAUHBZAC-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c1C#N	56114071	VDKSNJIABZGRRO-UHFFFAOYSA-N	404.495	5.077	30	20	HKED	
C=CCOc1ccc(CN[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1OC	62258750	WQWVGWQCCMGFSD-RUZDIDTESA-N	407.485	5.287	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3F)s2)cs1	97046459	KVGANTDPFDGUEI-HJWRWDBZSA-N	400.500	5.280	30	20	HKED	
N#CCCCOc1cccc(N[C@H]2CCCOc3cc(Br)ccc32)c1	195656685	ZEQVRCDBQVKKMR-IBGZPJMESA-N	401.304	5.457	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2ccccc2CN(C)C2CCCCC2)cc1	237154091	IZDOFDHKWIRPIW-UHFFFAOYSA-N	404.602	5.091	30	20	HKED	
Cc1ccc(CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)s1	303348792	DPROPSKKYJJGCA-MRXNPFEDSA-N	401.601	5.157	30	20	HKED	
Cc1cc(C)cc(N/C(N)=N/Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1	303970755	CUCQVUAPAXCKIA-UHFFFAOYSA-N	409.537	5.142	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4c(F)cccc4F)n3)n2)cc1	429373833	TUUWBJIWQMTNFJ-HNNXBMFYSA-N	420.444	5.073	30	20	HKED	
CC[C@@H](C)Sc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)c(C)c1	435134308	HLZMCUTYACMRGD-GOSISDBHSA-N	405.571	5.670	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C1(c2cccc(C#N)c2)CC1	435363535	LBKRCLFRTBGSAB-UHFFFAOYSA-N	424.479	5.230	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)C3(Cc4ccc(C(F)(F)F)cc4)CC3)CC2)cc1	440730253	JAPXOOFGCFJTBG-UHFFFAOYSA-N	410.439	5.216	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)c2o1	443529911	IDSSRMDTKGJAPV-AWEZNQCLSA-N	408.255	5.179	30	20	HKED	
CC1(C)CCC[C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	443660828	ZNISVLQVVFPRTR-ICSRJNTNSA-N	423.944	5.019	30	20	HKED	
N#Cc1cc(Cl)ccc1CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444741045	HDFYABKEPZFOFR-INIZCTEOSA-N	406.757	6.014	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1	445240097	OIJSWYRURWTPDP-UHFFFAOYSA-N	417.513	5.344	30	20	HKED	
Cc1cc(C(=O)Nc2cccnc2-c2ccc(Cl)s2)nn1-c1cccc(C#N)c1	446593350	OEYFQLWRSMWQDI-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(Sc2ccccc2C#N)cc1	446646849	DVVSGWWKDBISNE-UHFFFAOYSA-N	404.539	5.002	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2	460473490	VIBVFSRPXXSWCV-UHFFFAOYSA-N	411.596	5.505	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(Cc1cccs1)Cc1cccs1	460950980	UGHCIELUNPXBCL-SFHVURJKSA-N	400.573	5.036	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1	461346737	LJHDSANNHLOIIT-GOSISDBHSA-N	401.853	5.325	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	463747622	TVDPEEFWAIFXSI-ZDUSSCGKSA-N	415.118	5.133	30	20	HKED	
Cc1ccc(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cn1	464296742	NYXJHNZTQJJMIO-UHFFFAOYSA-N	411.383	5.254	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ncccc1OCCCC#N	466600526	XEHJIXMVGBGXSD-GOSISDBHSA-N	420.538	5.621	30	20	HKED	
COc1ccc(N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl	466901999	CNCLPLNGSQEHBL-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
N#Cc1ccc(F)cc1CSc1nnc(COc2ccccc2Cl)n1C1CC1	469005149	PISYMLMXLYFNGU-UHFFFAOYSA-N	414.893	5.148	30	20	HKED	
C[C@H]1CCCCN1CCC1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	469614797	FMFPAOXCOQOVCP-NRFANRHFSA-N	420.601	5.062	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccccc3SC[C@H](C)C#N)c2)n1	470590158	FIJIKIIITVLXRR-CQSZACIVSA-N	406.511	5.854	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	471286122	CCCLYGWNJKRYFN-UHFFFAOYSA-N	416.403	5.366	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1	471635217	NDNHSINETIFYQV-LBPRGKRZSA-N	419.337	5.907	30	20	HKED	
Cc1cn(-c2ccccc2)nc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	471724220	HENGNOOEUWXVKA-UHFFFAOYSA-N	410.502	5.132	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473450373	AVCYAIYONOZGNN-SUMWQHHRSA-N	420.365	5.463	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	473687954	WGKNZBKROCKIMF-UHFFFAOYSA-N	416.325	5.067	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)c(C)c2)n1	475534579	FNCVMRDBKJQHLS-SFHVURJKSA-N	407.564	5.937	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1	475582661	NKZWPEBKONDRIC-INIZCTEOSA-N	420.513	5.480	30	20	HKED	
CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	475597766	AYIYHPCBKIHNTK-OXJNMPFZSA-N	412.917	5.324	30	20	HKED	
Cc1nc(-c2ccccc2NCC(=O)N(CCC#N)c2cccc(Cl)c2)cs1	480161502	RRUGLPCZTPYOGI-UHFFFAOYSA-N	410.930	5.131	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc1C(F)(F)F	484082632	LSDDSVRVPGVZKS-UHFFFAOYSA-N	405.376	5.021	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(-c2ccsc2)s1	485803885	ZJESLQPYXLADGC-UHFFFAOYSA-N	418.503	5.491	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)CSc4ccc(C#N)cc4)CC3)c[nH]c12	486902571	RYYYTPJXAOKOCD-UHFFFAOYSA-N	403.551	5.100	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cc1	487725640	NLQHLQLUNXDFKX-UHFFFAOYSA-N	415.440	5.196	30	20	HKED	
COc1ccccc1SCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	488267065	KZWWAQZAMAZPPD-UHFFFAOYSA-N	418.518	5.071	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12	488855069	LEHLFZHWVUIGJJ-SFHVURJKSA-N	418.537	5.352	30	20	HKED	
Cc1cccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)(C)C)c1	494006222	GYXVOEDASRKNDQ-UWJYYQICSA-N	423.582	5.231	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(Cl)c(C#N)c4)cc3)o2)c1	494984102	LNPPBYYVHILWSK-UHFFFAOYSA-N	414.852	5.489	30	20	HKED	
N#C[C@H](NC(=O)CCc1cc(Br)cs1)c1c(Cl)cccc1Cl	499812924	NZPZEZKAOJUZOB-ZDUSSCGKSA-N	418.143	5.131	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@H]1CCCc1ccccc1	502368836	GQYCUMWPVIKMLR-QHCPKHFHSA-N	417.553	5.071	30	20	HKED	
CC[C@@H]1C[C@]1(NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C)c1	502561480	CMBVOPRKWKMWLW-KHCICDEESA-N	407.583	5.243	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NC2CCOCC2)cc1	503216259	KGVBBRVZCIHHFY-MRXNPFEDSA-N	410.543	5.316	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(CCC#N)CCC(C)C	505187141	GTCVVTZQESTROP-UHFFFAOYSA-N	405.951	5.086	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1nc(-c2c(F)cccc2F)cs1	505426443	HKGYCFPWPJVPNX-SNVBAGLBSA-N	424.259	5.641	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)c1nc(-c2c(F)cccc2F)cs1	505437678	FZGTWHVWEXPBGC-SNVBAGLBSA-N	424.259	5.641	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1	505816048	SPAMFNVZPZAPSK-HXUWFJFHSA-N	421.928	5.606	30	20	HKED	
CCCc1c(NC(=O)c2cnccc2Oc2ccccc2)cnn1-c1cccc(C#N)c1	506037622	HYVKQADVDVDNHM-UHFFFAOYSA-N	423.476	5.136	30	20	HKED	
CC[C@@H](CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc(OC)cc1	507577459	IQPGKLACHQJPPK-SFHVURJKSA-N	415.493	5.585	30	20	HKED	
COc1ccc2occ(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2c1	507631839	AGEDMLSVGORQBD-UHFFFAOYSA-N	420.412	5.718	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1cccc2cccnc12	509337312	JRSIFGCGGMQWBB-UHFFFAOYSA-N	423.472	5.011	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccccc1	509709802	CRHSXIWNCKQQBV-GOSISDBHSA-N	415.493	5.223	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1	511893562	ZFBIRKDDSAOZNW-GHMZBOCLSA-N	410.383	5.628	30	20	HKED	
COCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	513984145	YVCBSYQAZDZRPO-UHFFFAOYSA-N	403.457	5.078	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1	516641486	TYAONTFLQLKWLW-YCRPNKLZSA-N	401.466	5.697	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1	518754494	OVNKXBUSOPLDFC-GHTZIAJQSA-N	408.571	5.039	30	20	HKED	
N#CC1(CCCN2CCC(CCc3cccc(C(F)(F)F)c3)CC2)CCOCC1	518782503	YZMFRYAFYPTGBH-UHFFFAOYSA-N	408.508	5.451	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1	518840878	KAHXFTQVHCHHSF-AREMUKBSSA-N	405.501	5.642	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(OC3CCCC3)c2)cc1	519455924	VBEGBZZBJDESGJ-UHFFFAOYSA-N	404.510	5.075	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1	521810462	PPRZTABPMVDTAG-SBUREZEXSA-N	419.525	6.131	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)cc2F)c1	524457623	RQKOXSARIVPRCH-IRXDYDNUSA-N	420.406	5.584	30	20	HKED	
N#Cc1ccccc1SCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1	525598705	ATJAHYDIRCTMLW-IBGZPJMESA-N	421.909	5.275	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2cccnc2)s1)c1nc(-c2c(F)cccc2F)cs1	534186428	AYXQHOZNEXQKGW-GFCCVEGCSA-N	424.457	5.097	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1[C@H](C)C1CC1	539624420	QUUZBYFUYCMXAT-CYBMUJFWSA-N	422.476	5.439	30	20	HKED	
N#Cc1ccc(CN(Cc2ncc(-c3ccccc3Br)o2)C2CC2)cc1	541390676	PCUOHSXNNYDXRD-UHFFFAOYSA-N	408.299	5.140	30	20	HKED	
Cn1c(SCc2ccc(CC#N)cc2)nc2scc(-c3ccccc3)c2c1=O	543141483	JLHDGIJWHHTYOE-UHFFFAOYSA-N	403.532	5.020	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)nc1	548380745	YECDSPHCMKOEQO-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(C1)OCc1ccccc12	549218503	VEUYKJXQZORBIQ-BKMJKUGQSA-N	414.553	5.032	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)cc1Cl	550222482	MGVIZVHZRBLZNX-FCHUYYIVSA-N	414.892	5.694	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)ccc1F	551558119	MISOGZNXHIZTMA-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CC1(C(=O)Nc2nccc3sccc23)CCN(c2ccc(Cl)cc2C#N)CC1	553124485	LPTJBLBPNIDLIR-UHFFFAOYSA-N	410.930	5.067	30	20	HKED	
C[C@H](NCc1ccc(Br)cc1C#N)c1ccc(Br)cc1F	561400226	IYEXGUCRMKCJGJ-JTQLQIEISA-N	412.100	5.073	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1C1CC1	563997023	QHCCWAVWGUXPSW-UHFFFAOYSA-N	414.509	5.119	30	20	HKED	
CO[C@@H](c1noc(-c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1)C1CC1	565545438	VNDDGIOKCDODIN-GOSISDBHSA-N	424.526	5.173	30	20	HKED	
COc1ccc(CCC(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1Cl	570502413	ZJGUCZNRKRPBAI-UHFFFAOYSA-N	404.897	5.386	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@](C)(C#N)C1CCCCC1	579213871	LGIJHICMSPNWNI-QFIPXVFZSA-N	413.518	5.040	30	20	HKED	
N#Cc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c(C(F)(F)F)c1	582877981	ZRWODFMCNLQTAI-INIZCTEOSA-N	422.756	5.072	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c(Cl)c1	586855267	PUGRTTCFTHOSAS-SFHVURJKSA-N	423.727	5.416	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	588349120	XEUVTQMITQVAGF-AWEZNQCLSA-N	423.271	6.545	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2	603618902	UXTGGTZAVNMCOF-UHFFFAOYSA-N	412.537	5.199	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2coc(-c3ccccc3)n2)cc1	604003591	GJVUAZASSNXNPW-UHFFFAOYSA-N	423.472	5.168	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(C)c(OC(F)F)c2)cc1	604097639	YAGHFAKXQWFERG-UHFFFAOYSA-N	415.440	5.055	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209037	PXVOBVGKLGSWPJ-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
N#Cc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)c(F)c1	609229649	GTOQTAIUZSNWNV-UHFFFAOYSA-N	417.465	5.061	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)c(C)c1	609428701	VNFVLPFMBYNRMK-INIZCTEOSA-N	421.591	6.382	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)nc1	609496963	FINNYAIDEKIGEZ-UHFFFAOYSA-N	412.276	5.025	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609505854	XRZMJDLWQIRJQC-INIZCTEOSA-N	414.490	5.392	30	20	HKED	
N#C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1Br	609593856	KNMFZGQDHJLIDL-NRFANRHFSA-N	405.295	5.040	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1	609722813	JTTMNKHPYQTUDU-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1	609773216	ZXIFEVGHNHLLEI-PKOBYXMFSA-N	413.518	5.072	30	20	HKED	
Cc1cccc2c(CCNC(=O)c3ccccc3Sc3ccccc3C#N)c[nH]c12	610204272	YIPFJUPIZMIEIH-UHFFFAOYSA-N	411.530	5.472	30	20	HKED	
Cc1c(Cl)cccc1-n1ccnc1SCc1nnc(-c2cccc(C#N)c2)o1	610217218	HGUASRXTMLTHIU-UHFFFAOYSA-N	407.886	5.048	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](C)c4cccc(C#N)c4)cc3)o2)c1	610359165	FBVLXNYOCFJBNW-QGZVFWFLSA-N	408.461	5.075	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)NCc1ccc(C#N)cc1F	610732238	NCVDHVWNUBXVTL-OAHLLOKOSA-N	408.502	5.032	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H](c1ccccc1)C2	610732570	BEWWUVYFJRBKFD-BVZFJXPGSA-N	411.505	5.137	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Br)c(Cl)c1	610877290	JVVLUOPMJGXDGV-QGZVFWFLSA-N	404.695	5.343	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1	611096142	UEGKHYQFQKBMHW-UHFFFAOYSA-N	413.308	5.486	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(c3ccccn3)CC2)cc1Cl	611184415	ZIPWSSOHMIJRPS-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2cc(Cl)ccc21	611745783	KBKBKHDOBSNHFV-UHFFFAOYSA-N	408.914	5.070	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(OCCC)c(OC)c1	615676003	YBKAUYFFGHXCGQ-QGZVFWFLSA-N	400.494	5.082	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	620564766	VZGQEVCOHMWCCX-CYBMUJFWSA-N	409.923	5.872	30	20	HKED	
C[C@H](CC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc(C(F)(F)F)cc1	622566641	TTXRFMSEDCFJPM-QGHHPUGFSA-N	407.329	5.600	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	669727171	NWFNTGQLGRRENJ-FICVDOATSA-N	408.386	5.836	30	20	HKED	
Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F	674571505	QUYNVFGMELEZMJ-QWRGUYRKSA-N	408.264	5.218	30	20	HKED	
Fc1ccc([C@H](NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccn2)cc1	680336541	IQUJSZOGJARIPW-LBTNJELSSA-N	420.372	5.809	30	20	HKED	
O=C(Nc1ccc(-c2ccco2)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683811949	RAGWXWZKGGTKSF-TXEJJXNPSA-N	424.316	5.680	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3)c2)cc1NC(C)=O	726428127	FIMFACIZJQGFBO-QBFSEMIESA-N	401.462	5.129	30	20	HKED	
N#Cc1ccc(NC(=S)N(CCc2ccc(F)cc2)C2CCCC2)cc1Cl	726485553	RIEGURXMLWJAGX-UHFFFAOYSA-N	401.938	5.535	30	20	HKED	
C[C@H](c1cccs1)N1C(=O)/C(=C/c2ccc(N(C)CCC#N)cc2)SC1=S	726629173	JINGRMBCVJDVKF-VVTMIQRTSA-N	413.593	5.060	30	20	HKED	
N#Cc1cccc(OCC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)c1	727801186	YVPCANMDHWVXGP-UHFFFAOYSA-N	413.408	5.055	30	20	HKED	
N#C[C@H](C(=O)CN(C1CC1)[C@@H]1CCCc2ccccc21)c1nc2ccccc2s1	728914742	WJHUWTIZGGWRCJ-TZIWHRDSSA-N	401.535	5.015	30	20	HKED	
CCCCOc1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1OCC	730085775	UWMAIWCUKBJBSU-SDQBBNPISA-N	423.553	5.121	30	20	HKED	
COc1ccc(-c2cc(C(=O)N(CCC#N)CC(C)(C)C)c3ccccc3n2)cc1	731840024	ZKZKGBSKIJTCRD-UHFFFAOYSA-N	401.510	5.312	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1OC	732019802	URYMREYKVGDDRL-RAXLEYEMSA-N	422.525	5.205	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	733845858	ZYMBJECGRROJNV-WMZOPIPTSA-N	408.527	5.084	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(COc2cccc(F)c2)c1	734079977	ZUGSIPCMZPOLQK-OAQYLSRUSA-N	422.843	5.019	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1	734157719	SCJFTRDPSYIVNM-UHFFFAOYSA-N	405.473	5.324	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)n2)cc1	734966275	XIOTYMXIBLZXRZ-HRCADAONSA-N	410.445	5.077	30	20	HKED	
COc1cc(CSC[C@H]2CC2(Cl)Cl)ccc1OCc1cccc(C#N)c1	734981984	HZQQUBHGSZAHLS-QGZVFWFLSA-N	408.350	5.573	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cccc(Oc4nccs4)c3)c2)s1	739593977	BLYAELMBQWQUDR-UHFFFAOYSA-N	417.515	5.466	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C/c1cnc(C(C)(C)C)s1	742536274	HUTNXKSLCVRUJU-CSKARUKUSA-N	418.522	5.460	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036740	HTADSCGSPWEHCS-WMLDXEAASA-N	414.452	6.199	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)COc2cc(Cl)c(Cl)cc2Cl)n1	747193770	PDOXTBMOHHZSLA-VIFPVBQESA-N	403.718	5.482	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cc3c(ccc4ccccc43)o2)cc1OCCCC#N	747361217	HNOMTKFEQXXULL-FLIBITNWSA-N	411.457	6.173	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1	749361369	YZONITOCRYMKFN-IBGZPJMESA-N	401.510	5.021	30	20	HKED	
C=CC[C@H](NC(=O)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C)c1ccncc1	749726722	SRVSOXCSPWSFGR-QFIPXVFZSA-N	419.912	5.083	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	750219735	UMVSVYAALTZSMV-LLVKDONJSA-N	403.225	5.400	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C(\C)c1cccc(Cl)c1	750683512	GNJKZESXLLENAS-OQRGYWNNSA-N	417.292	5.061	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCCCC[C@H]1C[C@@H](O)c1cccs1	750840409	ZZZMWCNMLDMZMP-RBUKOAKNSA-N	404.963	5.172	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1	750840411	ZZZMWCNMLDMZMP-RTBURBONSA-N	404.963	5.172	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(OC(F)F)c2)ccc1OCC(F)(F)F	750903116	NVSQYXQFOXKDCI-ALCCZGGFSA-N	402.315	5.134	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1	751012992	AYQVSFVLUDPVIA-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Cc3c(F)cc(F)cc3C2=O)cs1	751534835	FLHRXEFIXCMVGM-AUWJEWJLSA-N	410.445	5.237	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(-c3ccncc3)cc2F)cc1Cn1cccn1	751536500	VFDJLDUWULOMIN-FNORWQNLSA-N	413.452	5.037	30	20	HKED	
C=CCOc1c(Br)cc(/C=C/C(=O)c2coc(C(C)C)n2)cc1OC	752886187	IDOUWEFKXKPXOO-VOTSOKGWSA-N	406.276	5.030	30	20	HKED	
CCn1nccc1/C=C(\C(=O)Nc1c(C)cc(C)cc1Cl)C(=O)c1ccccc1	753710910	GIIBPAYOXLGTSK-RGEXLXHISA-N	407.901	5.078	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(F)(F)c2nccs2)cc1Cl	756650068	CWAACJZHQTXHFO-HNNXBMFYSA-N	403.841	5.182	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(F)ccc2O)cs1	757467300	CYHNAGNBWYKWCT-UITAMQMPSA-N	416.861	5.222	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](OC(=O)c3ccc(COc4ccccc4C#N)o3)CCO2)cc1	757521720	VKFPAYKZGDLRRR-GBXCKJPGSA-N	417.461	5.116	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C1CC1	762935408	FZNRZBAHQLJCSO-JTSKRJEESA-N	413.525	6.031	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)cc1	773788334	XXSKPZNCXYAFCU-HSZRJFAPSA-N	408.436	5.190	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](OC(=O)c3cn(CCCC#N)c4ccccc34)CCO2)cc1	774156518	KRJPFDPLGKUHTL-RDPSFJRHSA-N	402.494	5.331	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc3ccc(Br)cc3n2C)cc1	776723144	BVWRJUNQWSROBD-DZZSIBQASA-N	416.706	5.364	30	20	HKED	
CCOC(=O)c1cnc(NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)nc1C	777888591	AVJMYWQQFWZBBT-UHFFFAOYSA-N	419.510	5.006	30	20	HKED	
O=C1/C(=C/c2scnc2C2CC2)CN(CC2CC2)C/C1=C\c1scnc1C1CC1	782326227	FREVXTQIUIUNDO-ZEELXFFVSA-N	423.607	5.116	30	20	HKED	
Cc1noc(C2CC2)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	784833831	RIKJSHZCEQXYKN-CYBMUJFWSA-N	418.305	5.781	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1	789450305	NNUUHWVQQYSXKI-UHFFFAOYSA-N	415.578	5.496	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\COc3c(ccc(Cl)c3Cl)C2=O)cn1	792884421	KOIKIDPOHICHIH-MDWZMJQESA-N	413.260	5.118	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)c1=S	795706758	UBOMKSITIDTOMX-GHTZIAJQSA-N	405.571	5.093	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(c3ccccc3Cl)CCOCC2)s1	797571773	PTODRDDUXYJYAR-CQSZACIVSA-N	402.947	5.019	30	20	HKED	
C=CCn1c(-c2ccccc2C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	800773597	ITMPDIUDDMZYBY-JOCHJYFZSA-N	422.960	5.043	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C)c1ccc(Cl)cc1F	806268516	JEKSKOSHRTYUQH-GOSISDBHSA-N	415.896	5.268	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	810202483	BZUZQSBZCOZPMX-FDDCHVKYSA-N	415.493	5.092	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccn1C(C)C	815908356	ZKFDJXFNQQXZKS-FQEVSTJZSA-N	401.466	5.131	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(-c2ccc(C(=O)O)o2)cc1	915987576	HDEXKGRPENXXSX-HJWRWDBZSA-N	402.431	5.059	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C\c3cc(Br)c(O)c(OC)c3)oc12	916130616	YVRMKNNQELQNSS-FPLPWBNLSA-N	417.255	5.204	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC(c1ccccc1)c1ccccc1	916898912	GIISTMBWYPALQW-RUZDIDTESA-N	424.544	5.681	30	20	HKED	
C=CCN(C(=O)/C=C\c1cnccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	918147432	JZWXGTNNKUCDEK-XQRVVYSFSA-N	417.321	5.139	30	20	HKED	
C[C@H](COc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	918348293	UGPOKQCFOMVZRH-GOSISDBHSA-N	402.519	5.048	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(OC(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1	920806203	IRJWNMKEWTVJKT-CYBMUJFWSA-N	420.387	5.109	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccc(C)c5[nH]4)CCC3)cc2)C1	1785807875	SSBRMXYRQUMPLH-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)no3)CCC2)cc1	1786103254	NJCMFPXSZZTCRN-UHFFFAOYSA-N	421.541	5.314	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4nc(C)ccc4o3)cc2)CCC1	1788323782	YBYKPYOCMDJHAQ-MRXNPFEDSA-N	417.509	5.096	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CC=C)C(=C)C)CC1	1824141930	ANIDPEPTMYSMEJ-ZEQRLZLVSA-N	412.618	5.143	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccoc1C	23934242	RBUGAGGQAKTUAZ-KRWDZBQOSA-N	410.543	5.077	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1	25730863	BSYJGZSGGWFCRO-UHFFFAOYSA-N	406.489	5.554	30	20	HKED	
COc1cccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	56800260	AQNNGWOFWMMTHL-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
N#Cc1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1Cl	58038201	PUZCXHIONOZYNS-UHFFFAOYSA-N	423.925	5.487	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cccc2ncccc12	60036126	ZHOCBXXXBQYYTD-KRWDZBQOSA-N	408.461	5.338	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	71944573	AIILPMGJOISCJU-RUZDIDTESA-N	413.521	5.850	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1	301767972	YYIPTXRDWPQNSJ-AWEZNQCLSA-N	400.912	5.364	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)s1	303256255	CAMLEVARSCKDLV-MRXNPFEDSA-N	405.523	5.044	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1	426345335	DETZGHXUELLALH-UHFFFAOYSA-N	413.521	5.188	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1ccccn1	430512277	ZDEMLZSQFYVJHL-LBPRGKRZSA-N	400.265	5.657	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1	431898961	ATBCSJVZRUMQLA-HXUWFJFHSA-N	415.459	5.471	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(Cl)cc(Br)c2F)c1	435553434	FINAPWONIDEOOG-UHFFFAOYSA-N	411.658	5.176	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2C)c1	435739982	ICCCSMRQMXOCNG-INIZCTEOSA-N	419.435	5.032	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2cccc(F)c2)s1	436150342	JIUBOTYIEALPQM-NHCUHLMSSA-N	420.513	5.177	30	20	HKED	
CCSCC[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	438191627	XYWOVZJJKZAQNV-INIZCTEOSA-N	413.543	5.355	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1	439312427	DZIMAWSTJJDCAB-OAHLLOKOSA-N	411.811	5.448	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@H](CCC#N)c1ccccc1	440253492	IGXLMQNABLTMDT-HXUWFJFHSA-N	414.347	5.414	30	20	HKED	
CCC(CC)(NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)c(Cl)c1	440316864	PWXLNUIWGLHMSI-UHFFFAOYSA-N	415.324	5.720	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Sc1ccccn1	442409493	RZCJDOAJYMWVCH-QGZVFWFLSA-N	405.498	5.115	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H]3Cc3ccccc3)cc2F)c1	443858133	VEROGCHXCXKLKB-JOCHJYFZSA-N	415.468	5.125	30	20	HKED	
N#C[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccccc1Cl	446112526	HEWSLOGVTFNCOH-LBPRGKRZSA-N	401.702	5.052	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	460374203	KDKUHYVWOZIYGY-SNRMKQJTSA-N	420.479	5.312	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](OCCC)CC1	460953269	TVMULEOWWYDEAJ-FQEVSTJZSA-N	419.573	5.163	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CSC(C)C)c2C)c1C#N	461012152	KGAYUAYPIORELQ-UHFFFAOYSA-N	411.596	5.755	30	20	HKED	
C[C@@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1cccc(C#N)c1	462467881	LFYOXROCFVVLSG-XCLFUZPHSA-N	422.326	5.099	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ccc(Cl)c(Cl)c1	463208261	WILOQLPFBBOFSH-ZDUSSCGKSA-N	409.338	5.429	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(Br)c1)c1cc(C(F)(F)F)ccn1	464422165	PYKQHCDRNQPJNN-SNVBAGLBSA-N	403.585	5.006	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4ccc(F)cc4F)n3)n2)cc1	464517301	KDMIGLGWKOKRRY-MRXNPFEDSA-N	420.444	5.073	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	465570802	MOQSFUPCJWUKCK-BEVDRBHNSA-N	401.432	5.248	30	20	HKED	
CCOc1ccc(C#N)cc1N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	466147983	RZIUFIZLFBWJAI-NSHDSACASA-N	403.269	5.487	30	20	HKED	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCSCC#N)nnc1-c1cccs1	466621305	QJRPYZNPOCZXCC-LTIDMASMSA-N	418.657	5.743	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCCc4sccc43)c2)c1	467163171	BSXNLUWYDNYERE-HXUWFJFHSA-N	416.506	5.071	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(-n2cccn2)c1	467710613	KVLKOUCKKGUHTJ-SFHVURJKSA-N	423.476	5.419	30	20	HKED	
Cc1c(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)ccc(C(F)(F)F)c1F	467928691	VLJAUGLJQHVSAQ-UHFFFAOYSA-N	408.317	5.490	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN2Cc2ccccc2)cc1Cl	468412577	UWCPLLRWBQMYBE-VWNXMTODSA-N	415.924	5.208	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccnc(Oc2ccccc2F)c1	470533611	LNTPEERVFUQWNA-UHFFFAOYSA-N	423.447	5.482	30	20	HKED	
CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	470667348	LKXIJMFHIISINR-UHFFFAOYSA-N	417.412	5.098	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1	471172913	KNLNQWMLWBBXIT-UHFFFAOYSA-N	405.523	5.611	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C	471885227	NMTSSSWHQVBXBC-IBGZPJMESA-N	401.514	5.117	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccco1	472707797	WTFVACKOLGKLSN-SFHVURJKSA-N	411.845	5.106	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	472754663	RNMONWHQXPEORQ-ZWKOTPCHSA-N	416.550	6.026	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@H](C#N)c3nc4ccccc4s3)coc12	473488287	IOPSPNISIINNMZ-ZDUSSCGKSA-N	411.280	5.604	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)c(C)c2)c1	473790474	VELLTEDIUQNUGR-UHFFFAOYSA-N	414.509	5.225	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C	476090420	LDELHTHLPWWMCF-AWEZNQCLSA-N	407.480	5.656	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1ccnc(C#N)c1	476100160	OXCFTBROJJBIEL-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	476118279	CKMNJGVUZBHWNT-WDXRGRCHSA-N	405.504	6.626	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(c2ccccc2Br)CC1)c1ccccc1	476923844	VIPQKZTVJITGKM-IBGZPJMESA-N	411.343	5.243	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1cnc2ccccc2n1	483207254	DTRDTTGBPYRNTR-IBGZPJMESA-N	419.440	5.445	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1cccc(Cl)c1Cl	488752415	XQADSIQKJHCZID-QMMMGPOBSA-N	420.243	5.398	30	20	HKED	
CC(C)(C#N)CCCSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1	489650894	UKCHGIKFOWVJES-UHFFFAOYSA-N	400.935	5.662	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	497805514	XLAKKBWLZRGMRN-FCHUYYIVSA-N	420.434	5.621	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCOCCc1ccccc1	500759052	NVPLTOSCZTXEBI-UHFFFAOYSA-N	414.505	5.637	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCCC(F)(F)C3)c2)cc1	502162515	OSDPJMMNNWJBDO-LJQANCHMSA-N	413.468	5.279	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3ccccc3OC)c2)cc1	503159757	FIHKVWBJDJRCDT-UHFFFAOYSA-N	416.481	5.314	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cccc(Br)c3Cl)n2)c1	503606158	DKNFVIMMBXXRLS-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cn(CCCC#N)c2ccccc12	505603256	COBAMYSWDPFCSW-HSZRJFAPSA-N	401.510	5.103	30	20	HKED	
N#CC1(c2ccccc2)CCC(NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1	507633646	CRBVPNWZDAARFS-UHFFFAOYSA-N	407.989	5.298	30	20	HKED	
Cc1c(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)sc2ccc(C#N)cc12	509717300	AFDVLSIYSUZMDZ-UHFFFAOYSA-N	407.392	5.447	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)o1	512382065	YQNKGEMNCKZNET-GOSISDBHSA-N	424.909	5.351	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccc2ccccc2c1	515669720	VXCIUSOGMNPILV-SFHVURJKSA-N	422.488	5.188	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519053496	JUDLASFWHGVDGC-UHFFFAOYSA-N	410.477	5.666	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1cccnc1	520197713	MNCOWONUAWLSIW-HTAPYJJXSA-N	402.523	5.387	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1ccc(Cl)cc1	520939426	VWIJURNBRMWUCS-OAHLLOKOSA-N	403.935	5.277	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	521366484	MFGOVYNKUBWSLC-NRFANRHFSA-N	403.507	5.953	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H]1c1ccc(Cl)cc1	523585651	UCYGJRJWIHWFRH-HSZRJFAPSA-N	401.897	5.504	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2F)c1	524457622	RQKOXSARIVPRCH-IAGOWNOFSA-N	420.406	5.584	30	20	HKED	
CCCN(Cc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	527056760	CYWSXILOSBRLGN-UHFFFAOYSA-N	418.541	5.022	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccc(C(F)(F)F)cc1	535121825	QSJGBUDEQLOGGN-QGZVFWFLSA-N	411.493	5.362	30	20	HKED	
C=C[C@H](CC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	535435449	JCKMAZVWHVBKAG-LJQANCHMSA-N	402.469	5.054	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1OC	535589467	JIUYWBABVLLLEF-UHFFFAOYSA-N	422.868	5.582	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)c(F)c1	536916917	SBDNTYWXRYFIKH-OAQYLSRUSA-N	423.419	5.138	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	537436245	ZCIPYVWTMNIUCU-ACJLOTCBSA-N	403.910	5.091	30	20	HKED	
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2Cl)n1	538635057	OCLQNIFHZBISES-DLBZAZTESA-N	421.932	5.398	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542065843	QLVCGNCKZDKBFH-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1cn(-c2ccc(F)c(Cl)c2)nn1	543028339	OOZOQZBQMBGVRJ-CYBMUJFWSA-N	401.898	5.066	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Cl)c1C	543092567	YSBQOXGTBIWNQO-UHFFFAOYSA-N	404.897	5.854	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	546222682	ILUBIDVAZXJXTJ-CQSZACIVSA-N	407.392	5.212	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	553338585	FUPHYOXKKAYNDG-HOTGVXAUSA-N	408.420	5.592	30	20	HKED	
N#Cc1cc(Br)ccc1CSc1nnc(-c2ccc(Cl)s2)o1	553751519	IXPGVFOMFYTOCY-UHFFFAOYSA-N	412.721	5.378	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(OC4CCCCC4)CC3)cc2)cc1	553859790	WFWNWLVQMVWRDK-UHFFFAOYSA-N	418.537	5.499	30	20	HKED	
COc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(C)cc1C	561307543	PLQUNOZNLGEJDQ-UHFFFAOYSA-N	411.933	5.082	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2cccc(CC)c2)nc1	562878333	FCWSYQCDMXHSDB-UHFFFAOYSA-N	421.497	5.132	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	563947764	FJOBKOZOWBKAOM-NYVOZVTQSA-N	419.594	5.956	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3CCc3ccccc3)cc2)ccn1	567203105	ACKVKPLJSBELKE-QFIPXVFZSA-N	412.493	5.375	30	20	HKED	
N#Cc1ccc(-c2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)nc1	582028997	STBYMAGCERQITM-UHFFFAOYSA-N	410.220	5.164	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c(C(F)(F)F)c1	589508052	ZFAAXGFYFCJQIB-FQEVSTJZSA-N	401.819	5.505	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	590336788	QLOJITKJAPBTCE-NHYWBVRUSA-N	406.301	5.541	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(C)c2)cc1	591061215	UILVCQZYPWBANS-DEOSSOPVSA-N	404.485	5.346	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C	594156646	CFDBBCOKWBBYPC-QGZVFWFLSA-N	411.596	5.947	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	603528689	CMSDXRCPZVMDCV-SFHVURJKSA-N	417.578	5.957	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3sc4cc(F)ccc4c3Cl)cn2)cc1	603765661	YPNMVYNWHWVRKP-UHFFFAOYSA-N	423.856	6.005	30	20	HKED	
N#Cc1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)ccc1Cl	603952392	UYTCICXENRERFG-UHFFFAOYSA-N	420.881	5.146	30	20	HKED	
COc1cccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	604084938	MAEVMEUPSFEICC-AOMKIAJQSA-N	419.912	5.887	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1F	605075150	RMRGXUCVEIGIIT-GOSISDBHSA-N	404.441	6.040	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1	608995411	OTCGNXYVFPZAAD-SFHVURJKSA-N	412.493	5.078	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(C3CC3)[C@H]3CCCc4ccccc43)o2)cc1	609056916	XFHKBBQQMSTXIO-DEOSSOPVSA-N	412.489	5.412	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c1	609204661	BGBWHBRGSZXFNO-UHFFFAOYSA-N	413.477	5.426	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)n1	609377850	HBPJUXNPSAOXBR-MRXNPFEDSA-N	404.539	5.052	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1cc(Cl)ccc1Cl	609387193	SEQUJUMPIFECHV-OLZOCXBDSA-N	408.354	5.684	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2cscn2)c2ccccc2)o1	609410292	KTLXPSJYAXEAEE-UHFFFAOYSA-N	415.474	5.034	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2	609431930	ZRRCNQJQTOYYSQ-OAHLLOKOSA-N	420.513	5.147	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccccc5c4C3)cc2)c1	609434513	SUOVQEYNIHDSDW-UHFFFAOYSA-N	408.461	5.422	30	20	HKED	
COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	609436706	SBUBWHFUSQICEN-IBGZPJMESA-N	411.571	5.378	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1	609646968	MWMSMAWXPJTYLF-KRWDZBQOSA-N	409.445	5.305	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](CCN(C)C)C(C)(C)C	609711551	AEBXYGHHUYLFEB-QFIPXVFZSA-N	408.546	5.147	30	20	HKED	
COCc1cc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F	609723907	LOOMUJKCXRIBCM-UHFFFAOYSA-N	424.859	5.219	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1	609789250	KOSJNGBJFIIQRK-GFCCVEGCSA-N	417.412	5.107	30	20	HKED	
CN1CCC[C@H](CNc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1	609797596	GDXIWGGZMKMPSI-QAPCUYQASA-N	408.855	5.120	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2ncc(C(C)C)n2C(C)C)c1	610034021	LALYTIWNKYTRSP-LJQANCHMSA-N	412.603	5.632	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)cc1	610121060	JJLZEZLQLUHSMV-HSZRJFAPSA-N	404.510	5.031	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1SCC(F)(F)F	610628100	HBSADZYZLVEFRZ-FUHWJXTLSA-N	419.472	5.645	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	613404888	VKDDSIDZLPELSZ-MRXNPFEDSA-N	407.445	5.958	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccccc2OC)cc1	615490547	QEQITVRDZHVXGK-UHFFFAOYSA-N	418.493	5.716	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	619625143	YAYFYOBZNROJTC-UHFFFAOYSA-N	424.464	5.099	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674562890	FZFZEHDVMQHJDT-HTQZYQBOSA-N	412.227	5.049	30	20	HKED	
C=CCn1c(SCc2ccc(OC(C)C)cc2)nnc1[C@H]1COc2ccccc2O1	726428905	BFPSSZONXSGVQV-OAQYLSRUSA-N	423.538	5.056	30	20	HKED	
C#CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1	726626709	KDBPMBDVGIUZSV-YBFXNURJSA-N	424.934	5.020	30	20	HKED	
Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1NC(=O)c1ccccc1F	727635800	ADXHTWZRBOTYML-MRXNPFEDSA-N	402.425	5.176	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Oc3ccccc3Oc3ccccn3)o2)cc1	727993382	SAJIPARPJRBFIC-UHFFFAOYSA-N	412.401	5.137	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c1	728184915	AGVQMBSLJOYDNY-QGZVFWFLSA-N	415.518	5.165	30	20	HKED	
Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)sc1SCC#N	730172373	OAOHZNMJGVJDTL-UHFFFAOYSA-N	417.918	5.779	30	20	HKED	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	733679126	DJGRJDCZNGGATI-SWLSCSKDSA-N	400.862	5.246	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccncc2)cs1	734083071	LLQZATUJWLFKTJ-KRWDZBQOSA-N	423.588	5.564	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccncc1	734360797	MAZHFCQYXOZMKU-QFIPXVFZSA-N	414.534	5.069	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc2ccccc2s1	734995972	ZNZHJPIUENIMDB-UHFFFAOYSA-N	419.893	5.890	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(CC)[C@H](CC)c2ccncc2)c1=S	739888201	QJJHEZWVYCAWIO-HXUWFJFHSA-N	423.586	5.101	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Cc3cc(Cl)ccc3C2=O)cs1	742437818	ROESZOVFJSGXIJ-WJDWOHSUSA-N	408.910	5.612	30	20	HKED	
CCCOc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1Cl	743473361	PAGQFWLMBYSEEM-HNNXBMFYSA-N	403.885	5.015	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(\C)c3cccc(OC)c3)n2)cc1	751830847	ILUOAMORHUFKEK-RNTFSAEZSA-N	404.491	5.107	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1ncnc2sccc12	754713148	CUQGIFJOGNYVPW-UHFFFAOYSA-N	410.934	5.159	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2cnc(C3CCC3)s2)cc1)Nc1ccccc1	760262894	MGIQYWXMQGPEFG-BUHFOSPRSA-N	418.518	5.324	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)c1	760387838	UNZPTEUIFLPZQA-UHFFFAOYSA-N	409.445	5.111	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nnc(-c4cccc(F)c4)o3)cc2F)c1	760454109	DUFXKPPQOKPIFR-UHFFFAOYSA-N	418.403	5.078	30	20	HKED	
Fc1ccc(C2OCCO2)c(Cl)c1C=NNc1ccnc2cc(Cl)ccc12	761744143	KZSYWZDWJBCUGY-UHFFFAOYSA-N	406.244	5.172	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	766258623	GOHXDLYKXSVEIL-SFHVURJKSA-N	421.909	5.369	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1	768873924	VRGJJDHSURHBLN-PKOBYXMFSA-N	403.404	5.066	30	20	HKED	
C=CCn1c(SCc2cc(Cl)nc3ccccc23)nnc1-c1ccccc1OC	771748755	DQHGRICKAIJJTF-UHFFFAOYSA-N	422.941	5.634	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCSc3ccc(Cl)cc32)ccc1OC	772986071	NHMXTNRUZLJKAM-PKOBYXMFSA-N	416.974	5.746	30	20	HKED	
C=CCC[C@H](C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl)c1ccccc1	778559716	TVYRRAJXZHHBAS-CJNGLKHVSA-N	407.297	5.009	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc([N+](=O)[O-])cc1Cl	782222941	ILAYCROOCIMOPA-UHFFFAOYSA-N	409.755	5.046	30	20	HKED	
C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc2sccc2s1)c1ccc(Cl)cc1Cl	787049188	KEVJWIGBYMZOBE-SKDRFNHKSA-N	423.346	5.469	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)c(Cl)c1	788361292	YRHCDERRUJLSQB-LUAWRHEFSA-N	424.891	5.415	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)[C@@H]3OCCc4sccc43)n2)cc1	796776382	WKDSPSVTVLBJTR-PJUBBZNESA-N	424.547	5.007	30	20	HKED	
N#Cc1sc(NCc2ccccc2-c2ccc(Cn3cccn3)cc2)nc1Cl	804421786	TXNYSGJURKCJFI-UHFFFAOYSA-N	405.914	5.192	30	20	HKED	
N#CCCCCCC(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	805696055	UQPIDWLGLRKELJ-UHFFFAOYSA-N	412.100	5.256	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F	806400078	BZVDZMXQZLLVHS-GJZGRUSLSA-N	405.420	5.091	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)ccc1OC	806806967	RPQWGQPAACTNTJ-QIJUGHKUSA-N	421.541	5.059	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(Cl)c(F)c1	808386299	ZDAGWOOFXMGAGN-UHFFFAOYSA-N	403.788	5.151	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC	809618560	JOBMBTCJESWTQS-DNVCBOLYSA-N	406.448	5.288	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3nnc(-c4ccccc4)s3)s2)cc1	814947587	ZIVGEHDCKMOBBR-UHFFFAOYSA-N	421.551	5.482	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@H](c2ccccc2)c2ccccn2)cc1OC	861241372	CVFAUNFQNPCLKI-IVYUTVGYSA-N	401.462	5.001	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1nc(-c2ccc(Cl)cc2)cs1	915101589	ISAMWHPMQPDOEE-QGZVFWFLSA-N	413.329	6.025	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1	915200018	RMVCZVSMJKONTF-HSZRJFAPSA-N	414.465	5.081	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	917827758	JRYJMDABROJDBI-UHFFFAOYSA-N	420.123	5.532	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccccc4F)CCCC3)n2)cc1	920141908	IRAOIXPPLSNVEI-SFHVURJKSA-N	420.509	5.646	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)c(C)s3)CCC2)cc1	1789456899	YRIHWKINPAUSOR-HXUWFJFHSA-N	423.582	5.276	30	20	HKED	
C[C@@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1	1790424859	JPJAILKLQGOZFE-IQMFZBJNSA-N	421.928	5.005	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1824141999	BZAJAGXNBHDUJJ-DNQXCXABSA-N	412.618	5.121	30	20	HKED	
O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)s1	10830425	ZQKBZBDCAQVDKW-UHFFFAOYSA-O	424.354	5.099	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccoc1C	21925157	LUOCNKCBGXRTDP-UHFFFAOYSA-N	410.543	5.061	30	20	HKED	
C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc(C#N)c(Cl)c1	25217007	PPGNLXWUSRXTOL-GTNSWQLSSA-N	406.338	5.019	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1	43170699	TWZCQBLMHFLXBD-UHFFFAOYSA-N	408.521	5.298	30	20	HKED	
CC(C)c1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(C(C)C)c1	217067618	DYFQAQMZOISQFK-UHFFFAOYSA-N	405.542	5.599	30	20	HKED	
CCN(Cc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1)C(C)=O	237016051	GXVAKLRHAJTZFL-UHFFFAOYSA-N	413.521	5.118	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NCc3ccc(O[C@H](C)C#N)cc3)cc2)c1	237602476	JARJHISIEGMUTM-RTWAWAEBSA-N	400.522	5.716	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1	303418200	XIRQKEHQURHKNY-WIYYLYMNSA-N	410.587	5.143	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	409760533	KJDZJMBNQHWPQA-NRFANRHFSA-N	410.832	5.118	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F	410343390	FROWEZWOGZPQLK-UHFFFAOYSA-N	403.379	5.401	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1C	428775372	BKBDMLCBABRHCL-UHFFFAOYSA-N	409.530	6.027	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1	429068117	BWVFDBCUMTXHFI-OAQYLSRUSA-N	403.482	5.039	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1sc(C2CC2)nc1-c1ccccc1	429265113	RLYNPJLBYMAGFV-OAHLLOKOSA-N	419.575	6.192	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2)o1	432969411	CILGJXNKZWPAMW-QHCPKHFHSA-N	401.466	5.041	30	20	HKED	
N#CCCC[C@H](NCC(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1	433018923	KMKDYGHTIHCXJB-DEOSSOPVSA-N	409.533	5.475	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1	436348996	BKDSEAUHCIMIFJ-TZIWHRDSSA-N	421.953	5.304	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	438985292	NDRPTSVVCCDJML-KGLIPLIRSA-N	410.486	5.823	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)Cc1nnc(-c2cccc(C#N)c2)o1	440329902	VKRGVZVFSPWDMK-UHFFFAOYSA-N	423.451	5.134	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	442810492	NEDJBYBIAXGQNX-WDEREUQCSA-N	419.478	5.132	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1)c1ccccc1	447452413	SLRCIPAYLJGAAU-KRWDZBQOSA-N	408.461	5.639	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1Cc1ccncc1	460371153	UNVZGLCXOXOKJY-NRFANRHFSA-N	412.518	5.162	30	20	HKED	
C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Br)cc1	460551738	JVLJYYPZADXMMN-LJQANCHMSA-N	424.346	5.020	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1	462056681	SUMQYVJBIHJHAE-UHFFFAOYSA-N	417.412	5.618	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@H]3C[C@H](c4ccc(C(F)(F)F)cc4)C3)CC2)cc1	463252369	LOOGVYWNXOWQIF-JKIUYZKVSA-N	413.487	5.077	30	20	HKED	
CC(C)(C)Oc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	470558699	JLHZCBHFDPWLHF-UHFFFAOYSA-N	420.513	5.091	30	20	HKED	
C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccsc2)O1	470586406	DDIILPZYHGUQLW-AOMKIAJQSA-N	419.506	5.406	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(C(F)F)nn(C)c2s1	470890345	IRUVDMRFIFTUIY-SNVBAGLBSA-N	406.483	5.219	30	20	HKED	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	473637911	DHBPKTUTBCNVKD-YZCUQEPOSA-N	415.584	5.043	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H]1C[C@H]1c1ccc(Cl)s1	475208183	NTBLIBYVPBNBBJ-FHLIZLRMSA-N	413.974	5.589	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1	475323701	ZIOISMGZMNDXFT-UHFFFAOYSA-N	405.885	5.367	30	20	HKED	
N#CCCCOc1cccc(N[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1	475753987	IPLJWODPIYKTGD-HSZRJFAPSA-N	410.477	5.621	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1	477544146	RJUWEGFNXOEEMM-UHFFFAOYSA-N	404.432	5.144	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C)c1ccc(F)c(F)c1	477728650	PPXZKPBMWBTBLB-KBXCAEBGSA-N	407.530	5.873	30	20	HKED	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	478593789	QENGWRBRQHBSQI-UHFFFAOYSA-N	423.476	5.405	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(F)c(F)c1	483306540	UPKRAWINRZXOSA-SFTDATJTSA-N	410.468	5.313	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(C)(C)C#N)cc3)n2)cc1	483471189	ITLXEUOZKZZOGC-IBGZPJMESA-N	401.491	5.110	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCC(F)(F)F)Cc1ccccc1	483842941	SBVWBZPRIMYQCG-UHFFFAOYSA-N	405.420	5.332	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccccc4)o3)n2)cc1	484561084	WDVALHZYKIFQDG-GOSISDBHSA-N	416.458	5.694	30	20	HKED	
COc1ccccc1[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1ccccn1	491997850	UZDIXHFAKXKUFO-QFIPXVFZSA-N	413.502	5.004	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1OCCc2sccc21	494975205	JYLRAVCQTNJYPG-OYHNWAKOSA-N	419.506	5.236	30	20	HKED	
N#Cc1cc(F)c(NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)c(F)c1	500545122	PMMQNSKONFNXOF-UHFFFAOYSA-N	421.447	5.246	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c(Br)s1	505339005	SGGPMHVRBDYCNI-LLVKDONJSA-N	404.116	5.121	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](c3cccs3)C3CC3)c2)c1	511465857	YGKHTBFJSILYNS-NRFANRHFSA-N	416.506	5.145	30	20	HKED	
C[C@@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc(C#N)cc1F	512276409	COXKECQGSBPVBJ-GOSISDBHSA-N	413.496	5.392	30	20	HKED	
COC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1	514813968	MWZYZFOFIFXXMU-KSSFIOAISA-N	403.935	5.101	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	515713818	YRQGFXQEBWBMSN-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
Cc1ccc([C@H](NCC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)cc2Cl)cc1	518660361	STXJNCDCFGITET-DEOSSOPVSA-N	421.903	5.171	30	20	HKED	
CCCCCOc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1	523536654	HFURPFQVNNYKSS-UHFFFAOYSA-N	402.498	5.182	30	20	HKED	
CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	524128678	YKQMFFHRBOOTDV-NTKDMRAZSA-N	405.542	5.764	30	20	HKED	
Cc1cccc([C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	525467723	VJWQOZAGMFKUPY-LJQANCHMSA-N	400.547	5.693	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc2ccccc2s1	526958514	HHTALDNPJDVPOS-GJZGRUSLSA-N	423.563	5.111	30	20	HKED	
Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N(CCC#N)Cc1ccco1	532026223	JRRBOZKLLPZTAV-UHFFFAOYSA-N	405.502	5.019	30	20	HKED	
N#CCc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)c1	532435462	QASAOZWSCNSLAZ-BMRADRMJSA-N	422.513	5.496	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	534018385	DDAHDLJUQHTZAI-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
Cc1nc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)sc1SCC#N	534138202	RDXQJSPMDDOHLG-CQSZACIVSA-N	421.547	5.040	30	20	HKED	
Cc1ccc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc2n1	534692300	SJAGDVRQVYEJJK-SFHVURJKSA-N	403.894	5.810	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(C)c1-c1ccccc1	539290886	ONSOCHQXZRKROS-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
COc1ccccc1NC(=O)C[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543961533	WIPFVRZGLHMVSJ-RTBURBONSA-N	413.521	5.302	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1	545297330	JFJFJDVFEBHZFD-UHFFFAOYSA-N	415.474	5.253	30	20	HKED	
C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(CC#N)CC1	549682330	YMCDFLFZGGCYEE-UHFFFAOYSA-N	418.570	5.083	30	20	HKED	
Cc1ccc2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2n1	550619519	NTBACJWAYJPYIJ-HNNXBMFYSA-N	405.429	5.435	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC(=O)c2ccccc21	550706888	MWMHWIVAIOIWHH-MRXNPFEDSA-N	418.440	5.410	30	20	HKED	
Cc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	554765222	QDKIQXKCIAOMIC-IRLDBZIGSA-N	419.916	5.138	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C(C)C	554999456	CSIFLSKHWRWGAW-UHFFFAOYSA-N	418.501	5.510	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC3(c4cccc(Cl)c4)CC3)cc2)ccn1	558506323	XYDHQGMLVHRDKT-UHFFFAOYSA-N	404.857	5.210	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2cccc(F)c2F)CC1	562304561	WKTWBGHUNKILRY-HNNXBMFYSA-N	415.509	5.771	30	20	HKED	
CCNC(=O)Nc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C	564630848	XJZXFWCFAMWPCK-UHFFFAOYSA-N	414.465	5.053	30	20	HKED	
CC(C)n1c(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21	572709820	TZRDKQLHNYKKBP-UHFFFAOYSA-N	424.504	5.254	30	20	HKED	
Cc1ccc(-c2cc(C(=O)NCC(C)(C)CCC#N)c3cnn(C(C)C)c3n2)cc1	578930921	OVNIUGKOMJJNCV-UHFFFAOYSA-N	403.530	5.047	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(Cl)sc4[nH]3)n2)cc1	580253214	UXINAEVDWIUPEL-ZDUSSCGKSA-N	408.895	5.368	30	20	HKED	
N#CCc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1	603726580	BTOCVZNRMAMGHL-UHFFFAOYSA-N	423.394	5.276	30	20	HKED	
N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2F)c(C(F)(F)F)c1	603975109	CVZOCMOOKVVKQU-UHFFFAOYSA-N	420.387	5.184	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1	608809638	LDVWGCUXXXBOLE-YADHBBJMSA-N	417.306	5.274	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1	609060726	CNYUGSRVLAXOCU-HSZRJFAPSA-N	418.880	5.041	30	20	HKED	
COc1cccc([C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	609105412	YMMJABGAUZBZPX-MRXNPFEDSA-N	404.441	5.027	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1	609375917	MUSNSQIUIXNOHJ-UHFFFAOYSA-N	417.321	5.437	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1	609696396	BKRKBUHTBNSCDS-MGPUTAFESA-N	408.379	5.054	30	20	HKED	
C[C@@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)c1ccc(C#N)cc1	609813521	JCDCIMDCJGNPEY-CQSZACIVSA-N	403.532	5.387	30	20	HKED	
CCOC(=O)Cc1cccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	610019179	RIKZCORXVQRHSU-UHFFFAOYSA-N	415.449	5.100	30	20	HKED	
CC(C)c1cnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1C(C)C	610034005	JXHJQDLQGHUZKD-CYBMUJFWSA-N	402.589	5.129	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br	610044241	ICTCKVUKAIIZFB-NSHDSACASA-N	420.288	5.004	30	20	HKED	
Cn1c(SCCC(C)(C)C#N)nc2scc(-c3ccccc3Cl)c2c1=O	610285543	XVMIOPWFOYDSKU-UHFFFAOYSA-N	403.960	5.347	30	20	HKED	
C[C@H](N[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccc(C#N)c1	610343848	UUPIVFHZBQSFBR-AOMKIAJQSA-N	423.438	5.608	30	20	HKED	
Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cnc1N1CCCC[C@H]1C	611566770	WORYQCZLGPEYKY-CYBMUJFWSA-N	403.313	5.200	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C)nc3-c3ccccc3)n2)cc1	613318213	PNCCLCIDTYEFTE-GOSISDBHSA-N	415.543	6.041	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccc(F)cc12	613403023	AXGFZWDTLJYNCT-CYBMUJFWSA-N	418.371	5.999	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1	619746992	XYUBLKQRZUISKM-QHCPKHFHSA-N	419.912	5.080	30	20	HKED	
CC(F)(F)c1ccc(CNC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	644971885	SINOSMXFOWLRJH-CHWSQXEVSA-N	418.328	5.071	30	20	HKED	
COCCC[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	669613215	RGUAXOIXZLYDAO-ABFRBSLYSA-N	415.393	5.793	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(-c3ccccc3Br)n2C)s1	727667845	SOGDAOHEBUTAAJ-UHFFFAOYSA-N	414.328	5.202	30	20	HKED	
COc1ccc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)c(OC)c1OC	728441176	FYPZJENYVUJULG-PKNBQFBNSA-N	413.470	5.180	30	20	HKED	
C[C@H](CC#N)N(C)Cn1nc(-c2cccs2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S	728904215	MBDHTMFNXVBVOW-DFBDCSAJSA-N	415.632	5.331	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1	732696470	JOZQCLWSZLHYAD-JOCHJYFZSA-N	401.897	5.806	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3c(Cl)cccc3s2)ccc1OC	733230754	SWUFHQGAGBOMTA-CQSZACIVSA-N	414.914	5.174	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)nc1	733236891	OFYXJQUYQQDBPI-UHFFFAOYSA-N	405.457	5.973	30	20	HKED	
N#C[C@@H](NC(=O)/C=C/c1ccnc2ccccc12)c1ccc(OCc2ccccc2)cc1	735469464	AWGQQWMBWPCJPH-YZGDDWERSA-N	419.484	5.208	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)cc1OC	741294574	FGYLWJIQCYBRGT-MLFXKNMZSA-N	405.450	5.233	30	20	HKED	
O=C(/C=C\c1ccccc1OC(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1	741447098	HQQUPEXQCORRGE-KAMYIIQDSA-N	424.440	5.198	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)ccc1SC(F)F	741842871	IPXAJCQERWBZFR-YWEYNIOJSA-N	400.393	5.550	30	20	HKED	
C[C@@H]1Sc2sccc2C(=O)/C1=C/c1ccc(OCc2occc2C(=O)O)cc1	742437039	QHNKPJFGSRJRLF-VAKHEIKFSA-N	412.488	5.379	30	20	HKED	
COc1cc(C)c(C(C)=NNc2nc3cc(C(F)(F)F)ccc3s2)cc1OC	743444915	ZDCZDUPCCYDLNI-UHFFFAOYSA-N	409.433	5.477	30	20	HKED	
COc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)ccc1OCc1ccccc1	746347293	YNPLQQSPGSCGRT-QBFSEMIESA-N	404.510	5.565	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1	746670522	BHVRVZDVYDXICL-UHFFFAOYSA-N	422.529	5.453	30	20	HKED	
C=CCCCC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	748234098	NUKCQJVVXDLROB-UHFFFAOYSA-N	406.935	5.497	30	20	HKED	
Cc1sc2ncn(N=C/C=C\c3ccc(F)cc3F)c(=O)c2c1-c1ccccc1	758081519	WGTQPVHQFWLIFU-GSQXRFNPSA-N	407.445	5.259	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1	765351387	RJJDWDKDUNLEKU-IRXDYDNUSA-N	400.906	5.186	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1	767373820	PXWSGZGLHJWABD-UHFFFAOYSA-N	403.457	5.208	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Br)cc2F)cc1OCCCC#N	767738467	XNHNUDPYPQSQMK-YWEYNIOJSA-N	418.262	5.175	30	20	HKED	
N#Cc1cc(NC(=O)CC2(CSc3ccccc3)CC2)c(Cl)c([N+](=O)[O-])c1	770002154	JQQJJZOUULYICQ-UHFFFAOYSA-N	401.875	5.021	30	20	HKED	
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCc1ccc(O[C@H](C)C#N)cc1	770525342	UNPFYRGMRBYWHN-QWFCFKBJSA-N	405.542	5.016	30	20	HKED	
COc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1NC(=O)C1CCCCC1	770579980	ILNYQPUFMZBSSP-UHFFFAOYSA-N	420.557	5.176	30	20	HKED	
O=C1C/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)c2ccccc2N1	774144216	HRQGWFSAUVZFRA-FMIVXFBMSA-N	408.797	5.117	30	20	HKED	
N#CCCCn1cc(C(=O)O[C@H](c2ccccc2)c2nccs2)c2ccccc21	774167879	YNAMEHPMVXCIEA-OAQYLSRUSA-N	401.491	5.348	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2ccccc2OC)C2CCCC2)ccc1OC	774450873	VLGYWVWEOYJJMZ-NLFFAJNJSA-N	408.542	5.406	30	20	HKED	
CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	775983221	BYLUTJPLSPGQGE-DEOSSOPVSA-N	413.521	5.147	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNc1cccc(OCC#N)c1	779587570	CAIGQZWKWXNYLE-UHFFFAOYSA-N	401.297	5.061	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(-c3ccccc3OC)cc2)c2ncc[nH]2)c1	787168289	HEJPYZFJJGGFAL-XQNSMLJCSA-N	410.473	5.517	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)n1	788628237	VSUXCXNGRGAHKL-IBGZPJMESA-N	418.566	5.424	30	20	HKED	
N#CC(CCOC(=O)[C@@H]1CCC(=O)c2ccccc21)(c1ccccc1)c1ccccc1	792646501	PJSOMZZZMSSKMK-XMMPIXPASA-N	409.485	5.190	30	20	HKED	
C=CC[C@@H](OC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1	797554272	RRNVGKJQLDVIHL-GOSISDBHSA-N	413.322	5.012	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC(C)=C(c3ccco3)C2)c1=S	800867157	NFFQZCLKEMQDCT-UHFFFAOYSA-N	422.554	5.006	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2C)ccc1Cl	802694929	VPHCIIJNVFIAPZ-UHFFFAOYSA-N	424.957	5.088	30	20	HKED	
O=C(Nc1ccc(Cl)cc1OC(F)F)c1cc(F)c(C(F)(F)F)cc1F	804559674	CVVHYIACKKJVBC-UHFFFAOYSA-N	401.665	5.491	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(Cl)cc2OCC(F)F)cc1Cl	806604775	HIFRLXZRRWWKGS-UHFFFAOYSA-N	402.253	5.318	30	20	HKED	
N#C[C@H](Cc1ccccc1)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814772038	MIEJPTPLXXECQS-ZVCOJXFSSA-N	406.557	5.740	30	20	HKED	
COc1ccc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)c2ccccc12	915943405	BQVUKMVEOGTZLC-UHFFFAOYSA-N	417.534	5.079	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	915988369	VMRKCEXQCNRXBH-HJWRWDBZSA-N	419.487	5.738	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)ccc1O	916158056	SOEBDUUGUFIPEE-VURMDHGXSA-N	416.296	5.183	30	20	HKED	
N#CCOc1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c1	916410097	XJUDSTOYQBZCJM-UHFFFAOYSA-N	411.486	5.632	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	916909761	CHUUUYLXDRWVLV-QGZVFWFLSA-N	405.885	5.051	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3)n2)cc1	916954559	IZYWNTZRYDAUAM-DNVCBOLYSA-N	403.507	5.285	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2cccc3ncccc23)cs1	917548317	MULLIRKRENOORO-UHFFFAOYSA-N	401.495	5.130	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccccc4)CCCC3)n2)cc1	920140778	BMHJNBLOSGSZNR-FQEVSTJZSA-N	402.519	5.507	30	20	HKED	
Cc1ccc(Cc2sc(NC(=O)CSc3ccc(C#N)cc3F)nc2C)cc1	1472993407	ZCZSCEOCAODHOE-UHFFFAOYSA-N	411.527	5.092	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccc(F)cc4)cc3)CCC2)C1	1786023919	HZYMTUPRNJDSDL-GOTSBHOMSA-N	418.512	5.030	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3CC)CCC2)cc1	1789455819	DVCRFFJULNMEMH-IBGZPJMESA-N	423.582	5.222	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(COc2ccc(C#N)cc2Cl)cs1	18963668	KGXSDBSCBBXZRO-UHFFFAOYSA-N	418.305	5.585	30	20	HKED	
Cc1ccc(C)c(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1	115427337	WQEUYEJAUROJCG-UHFFFAOYSA-N	407.539	5.356	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)CCSc1ncnc2sc(C)c(C)c12	115707059	WZWSBPHYJPAUEX-UHFFFAOYSA-N	403.598	5.067	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3csc(-c4ccoc4)n3)cc2)c1	303333048	WXVGWBFYHMVQSG-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
N#Cc1c(NC(=O)c2cc(C(F)(F)F)ccc2Br)sc2c1CCC2	325399953	GEIGOXIFXMXTOH-UHFFFAOYSA-N	415.234	5.142	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	410208931	PBLGVVSWQYIOKO-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccccc1	427124907	XIPZTJACGFIJCZ-HSZRJFAPSA-N	405.542	5.783	30	20	HKED	
C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](CCCC#N)c1ccccc1	431845831	QKCFQTXIJLLLMW-OXJNMPFZSA-N	414.347	5.114	30	20	HKED	
CCn1nc(C)c(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	432008456	VOBHWNBGMAACCV-OAQYLSRUSA-N	406.917	5.010	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCC(=O)Nc1ccccc1C#N	432574262	PIDOOUTYIRXBEQ-AWEZNQCLSA-N	418.324	5.193	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1	432768048	JPSLHNXOPBAUDF-QHCPKHFHSA-N	418.541	5.306	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccccc1	432830614	GDEIMECETDLYBI-OAQYLSRUSA-N	402.454	5.089	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	435452313	HNKNRESZJPBYDZ-UHFFFAOYSA-N	414.292	6.010	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl	438070779	GDUYFZYIIPFXLR-IAQYHMDHSA-N	422.337	5.643	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1	438072321	IVMXBJQPGFILBL-DNQXCXABSA-N	411.505	5.666	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438649558	NGWZSOSRHDZXNI-UHFFFAOYSA-N	411.383	5.432	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1	439129114	HIYUBKFXKCIJCV-PMACEKPBSA-N	410.480	5.313	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1	441310756	LJZVCGSJBNAOMX-UHFFFAOYSA-N	408.449	5.280	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2nccn2C)C1)c1ccc(C(F)(F)F)cc1	444148192	XZOAFIDBNLXWHE-IEBWSBKVSA-N	420.479	5.035	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2nc(C(C)C)c(C)s2)cc1	447441520	NLZXJZLVPLSKFG-UHFFFAOYSA-N	421.522	5.429	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](CC(F)(F)F)c1ccccc1	465726263	PBQVPISRDDCTJK-HSALFYBXSA-N	401.432	5.161	30	20	HKED	
Cc1nc(C)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	466120628	ZZAVPDNCIXQBJO-GOSISDBHSA-N	410.930	5.391	30	20	HKED	
O=C(CCCc1cccc(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F	468515459	KFIXKSVSTNEBGK-UHFFFAOYSA-N	409.292	5.371	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	470957512	XGIKZFRKZNYUPJ-UHFFFAOYSA-N	423.344	5.345	30	20	HKED	
COc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1Br	471487396	GEVMJNPRZSGVEW-UHFFFAOYSA-N	407.267	5.249	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F	475549244	OKJMLRCQAWARIQ-HNNXBMFYSA-N	412.484	6.166	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1ncc(-c2ccccc2)o1	477377440	GQOGJDYXLCEGMF-KRWDZBQOSA-N	409.445	5.497	30	20	HKED	
O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccccc1-c1c(F)cccc1F	480324487	FECWEVWQZALWSM-UHFFFAOYSA-N	409.301	5.175	30	20	HKED	
C=C(C)[C@@H](NCc1csc(-c2ccc(C(=O)OC)cc2)n1)c1ccc(F)c(F)c1	481605858	DYEJQHTWPBJLKP-HXUWFJFHSA-N	414.477	5.282	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[C@H]1C(F)(F)F	482065109	YEKRWZXKLXPDAU-HXUWFJFHSA-N	416.443	5.188	30	20	HKED	
Cc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1NC(=O)c1cccs1	487177903	RIFJDRUUYJFZEM-OAQYLSRUSA-N	417.534	5.474	30	20	HKED	
COc1cc(Cl)c(Br)cc1C(=O)N[C@H](CCCC#N)c1ccccc1	487206572	GCUGQZIYCDBTLJ-QGZVFWFLSA-N	421.722	5.276	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC	487294588	ZKBODVLYZXNUKL-UHFFFAOYSA-N	421.522	5.045	30	20	HKED	
C=CCc1cc(C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cc(OC)c1OC	492348838	DFDKUYGBGPZWBA-QGZVFWFLSA-N	405.416	5.129	30	20	HKED	
Cc1cc(C2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)ccc1Br	494199204	TYOLCANLQWXWOP-UHFFFAOYSA-N	423.354	5.333	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2c(F)cccc2F)cs1	497446204	WEVSKVQAOGSTJF-OAHLLOKOSA-N	408.429	5.097	30	20	HKED	
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2cccc3ccccc23)cs1	502561574	QUCHLKUFLMYKOL-QHCPKHFHSA-N	421.522	5.163	30	20	HKED	
Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)s1	504548654	XSVGVVRTWHEQCT-GFCCVEGCSA-N	408.335	5.680	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449257	MHLCCGFAYJYJGD-AWEZNQCLSA-N	406.269	5.502	30	20	HKED	
COc1ccc(CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1OCCCC#N	506431904	IGOZQYLTDOKJHO-UHFFFAOYSA-N	415.537	5.457	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1	508277969	JDNYUDBRJGIXDD-HXUWFJFHSA-N	413.477	5.381	30	20	HKED	
C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@@H](c2nccs2)C1	508833137	NSWLHTAIQANWHX-HXUWFJFHSA-N	415.566	5.049	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)NCCCCC#N	510584037	YRCLDMRPGHYIEA-QFBILLFUSA-N	420.944	5.733	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(C(F)(F)F)cn1	513211177	VVVGZABBIOCWDH-LLVKDONJSA-N	415.223	6.112	30	20	HKED	
CCCOc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	513953971	WFEQEZWMUKUBSV-UHFFFAOYSA-N	417.484	5.720	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Oc2cccnc2)cc1	514155055	BQHPXYGIKDRJKP-QGZVFWFLSA-N	400.482	5.558	30	20	HKED	
Cc1csc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1C#N	514814299	JMXIDWQVVJZGQS-UHFFFAOYSA-N	400.834	6.067	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccccc2COc2ccccc2)cc(OC)c1OC	515741966	PRHOTABUJQFYHV-UHFFFAOYSA-N	403.478	5.264	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	521366488	MHNIAUZWBUPKMO-INIZCTEOSA-N	414.465	5.192	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)n1	521797614	RBJZYJSJQKRZKA-GOSISDBHSA-N	404.539	5.065	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	521810586	VFURATAXPASSSC-GOSISDBHSA-N	402.608	5.057	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(F)c(C#N)c3)c3cnn(C(C)C)c3n2)c(C)o1	524185205	HXYLDPUYMHHCNC-UHFFFAOYSA-N	417.444	5.152	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	532023843	ALTUHWTWPATXMS-UHFFFAOYSA-N	420.416	5.370	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccc(C(F)(F)F)c1	534361849	AEDSRZRBNFAHEM-LJQANCHMSA-N	415.802	5.415	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1Cl	535609561	HVMMZYIPPPBWII-AZUAARDMSA-N	422.912	5.368	30	20	HKED	
N#CC1(CCCNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)CCOCC1	537508575	VSNYUGWNFIPZHO-UHFFFAOYSA-N	421.419	5.063	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2c(F)cccc2F)cs1	539677824	CNUFJVUEJJJPCF-OAHLLOKOSA-N	405.429	5.134	30	20	HKED	
C[C@@H](NCc1nc(O)c2oc3ccccc3c2n1)c1ccc(-c2cccc(C#N)c2)cc1	542942430	QVRKHWLLUCSVDW-MRXNPFEDSA-N	420.472	5.471	30	20	HKED	
Cc1sc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	543504478	DHRZZRJBQBBGMV-ZIAGYGMSSA-N	424.957	5.321	30	20	HKED	
Cc1cccc(-c2nnc(SCc3ccc(CC#N)cc3)n2Cc2ccco2)c1	544076773	QKEKWCYTFTWHPN-UHFFFAOYSA-N	400.507	5.253	30	20	HKED	
Cc1nc([C@@H](C)N2CCC(C#N)(c3ccccn3)CC2)oc1-c1ccc(Cl)cc1	548865053	JABLVVAIQAUNAV-QGZVFWFLSA-N	406.917	5.317	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccsc1Cl	551220665	RCERJXXSPCDVNO-UHFFFAOYSA-N	420.865	5.444	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4c(Cl)cccc4n3)cc2)nc1	552793917	ITFRLJVVTYJVJA-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1cc(C(=O)NCC2(C#N)CC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl	555899935	VTCZDIATPFTUHX-AWEZNQCLSA-N	402.325	5.509	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)CCc1ncc(-c3ccc(Cl)cc3Cl)o1)CC2	570586195	CBKVGCQQWKQDLV-UHFFFAOYSA-N	412.276	5.042	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c1	571318920	YRHHUKQVFGYAKX-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
COc1ccc([C@@H](NC(=O)CCCCCC#N)c2ccc(C(F)(F)F)cc2)cc1	588672414	ICKCHKQFKSWULL-NRFANRHFSA-N	404.432	5.394	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@@H](c1ccccc1)c1nccs1	590968117	UTZRPNOYDZFUPA-NRFANRHFSA-N	415.543	5.516	30	20	HKED	
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)c(C#N)c2Cl)cc1	602759570	MPIQSRZVXMYQFH-NRFANRHFSA-N	407.832	5.130	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	603673316	DFBZQUVKJHUHRB-JOCHJYFZSA-N	404.897	5.575	30	20	HKED	
CC(=O)Nc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	603673361	KGWDCRDTXVYUCQ-JOCHJYFZSA-N	417.896	5.135	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1	604247183	FIJKZWOTLGEVKR-UHFFFAOYSA-N	406.869	5.409	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)ccc1F	609102618	KDQNNRISFUZRET-UHFFFAOYSA-N	418.815	5.320	30	20	HKED	
CSCCc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1	609643724	GRHRVUREWQQTQQ-UHFFFAOYSA-N	402.519	5.295	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)c2)c1	609693831	GHXQCAVWSGTLGI-VQTJNVASSA-N	404.416	5.158	30	20	HKED	
N#Cc1cc(NCC2(c3cccc(Br)c3)CCOCC2)nc2ccccc12	609894731	KJSUQVQKHGTYHS-UHFFFAOYSA-N	422.326	5.029	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)[C@H](C)Oc3ccc(C#N)cc3)s2)cc1	610050626	FNVAIXMMIATDKY-ROUUACIJSA-N	419.550	5.286	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccco2)c2ccccc2C#N)ccc1NC(=O)CC(C)C	610223438	HAYFKCVDPNBHEN-UHFFFAOYSA-N	415.493	5.291	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H]3c3cccc(F)c3)c2)cc1	611041909	SAKCLGRFFSZJDW-DEOSSOPVSA-N	415.468	5.450	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Cl	611093931	OVOOEYYYQQZUBH-UGESXGAOSA-N	421.928	5.075	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	613318848	HAEURYHKJKUBLW-INIZCTEOSA-N	421.934	6.077	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1	619318278	AWOXXXCSGUZSAN-GOSISDBHSA-N	403.482	5.108	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1	680581283	URUWYMVFEFTRBM-HTQZYQBOSA-N	400.310	5.033	30	20	HKED	
C=CCC[C@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	681649472	SCNFGSPKIDSSHB-HZMVEIRTSA-N	407.398	5.762	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	685542563	BYGQKJJJSDIWPI-WTLGNFPFSA-N	420.479	5.168	30	20	HKED	
COc1cc(F)c(F)cc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	685675818	WAIDFUSQFANCNS-YUMQZZPRSA-N	420.300	5.004	30	20	HKED	
Fc1ccc(CON=Cc2cccc(OCc3ccncc3)c2)cc1Br	727435665	WEXXMPGTDSITSZ-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)COc2ccc(Oc3ccccn3)cc2)c1	728182516	VFCFXPLQDJAGNG-UHFFFAOYSA-N	424.456	5.060	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1	728185959	TYNLSLCVAIMTCB-UHFFFAOYSA-N	410.473	5.390	30	20	HKED	
COc1cc(C(=O)/C=C/c2csc(-c3ccc4c(c3)OCO4)n2)ccc1SC	728440113	JCROUHZNUZOAPI-AATRIKPKSA-N	411.504	5.165	30	20	HKED	
CC(C)[C@@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1	728636511	CIYJMMKTCUUUHM-OAQYLSRUSA-N	402.494	5.111	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc(O[C@H](C)C#N)cc1	728698050	LAGUQTMTSQMXFS-IMBBRHANSA-N	408.910	5.959	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1c(C)noc1C	730148741	KRJVAQLWVGFCBX-CMDGGOBGSA-N	403.301	5.382	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	731332071	CJJBTZJAUUNRHU-HNNXBMFYSA-N	411.527	5.680	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccsc1	732046057	QPBVJWHATNTCEA-FQEVSTJZSA-N	408.548	5.385	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)o1	732769843	PXCWEHIRKQXCKQ-CMPLNLGQSA-N	423.325	5.051	30	20	HKED	
Cc1ccccc1[C@@H](O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	732876921	KZQIZYQCNJSXHM-GGAORHGYSA-N	419.912	5.159	30	20	HKED	
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(O[C@@H](C#N)CC)c1	733804890	KVHUQLZMAWJGNJ-NHTMILBNSA-N	405.542	5.235	30	20	HKED	
Cc1ccc(-c2ncc(/C=C\C(=O)c3ccc(OCCCC(=O)O)cc3)s2)cc1	734306124	LHJNONJRNUFXEK-SEYXRHQNSA-N	407.491	5.258	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCCOc3cccc(Cl)c3Cl)[nH]c12	735787742	FKZICLOUXNUDBR-ZDUSSCGKSA-N	402.281	5.214	30	20	HKED	
COC(=O)[C@H](Nc1ccc(OCc2ccccc2Cl)cc1)c1ccc(C#N)cc1	739991653	YWHCIWCCCSPREU-JOCHJYFZSA-N	406.869	5.117	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1	740446759	CZVIBMBWKNQNIK-UHFFFAOYSA-N	414.594	5.101	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	744062627	TZIPRCFYIIYNAI-BEFAXECRSA-N	403.482	5.266	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	748993602	FYXNIFXLZKGOAF-UHFFFAOYSA-N	421.541	5.670	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)s1	749017205	RGTYSQLBDPJMKO-OQLLNIDSSA-N	423.009	5.267	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)c(C(F)(F)F)c1	752997285	BPZINKSVJIZPJS-SNVBAGLBSA-N	413.852	5.768	30	20	HKED	
N#CCOc1ccc(CC(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)cc1	755602273	NQBWMQAUMDCLIU-DEOSSOPVSA-N	416.908	5.111	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)cc2)c1	758605028	WQEGFTXNEPMABL-DENIHFKCSA-N	417.465	5.064	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)c3ccc(C#N)s3)cc2)s1	762443867	SNWQDRLGGKBMNU-VTBWALSUSA-N	400.484	5.345	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1F	764606015	NXTVRHATKJJPBO-WDEREUQCSA-N	404.388	5.346	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)c1nc2ccccc2o1	764755183	DJPRFYRMCHQYRX-VBKZILBWSA-N	411.864	5.024	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2cccc(F)c2)C(C)C)c1=S	764914586	PVPAGMAJFHYHRH-UHFFFAOYSA-N	411.550	5.059	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1	766089829	RLHRAXWMONPIMS-OAHLLOKOSA-N	423.875	5.634	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NCc1ccc(O[C@H](C)C#N)cc1	770544476	YYQFXBJMFXSABU-QGZVFWFLSA-N	406.457	5.316	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1	773977125	XHTJINGZTLBKHZ-UHFFFAOYSA-N	404.457	5.341	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(CCC)[C@@H]2CCCc3cccnc32)c1=S	774613496	RMZOMYYBRLQSTO-GOSISDBHSA-N	409.559	5.002	30	20	HKED	
C[C@H](Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(C#N)c(F)c1	777035369	CKDIXFHRXBZFJK-AWEZNQCLSA-N	413.294	5.072	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(N2CCCCCC2)cc1	777116295	FCKCUYSCTKTVCC-HXUWFJFHSA-N	418.585	5.073	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1	777467554	NHIOYSAHSAKLST-YFHOEESVSA-N	416.447	5.241	30	20	HKED	
Fc1ccc(NC(=S)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(F)c1	781110599	SJHROIOQXIXUKN-ZDUSSCGKSA-N	412.330	5.156	30	20	HKED	
CCCn1c(C(=O)[C@@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc2ccccc21	786930706	RYPIUASJPVPBHS-HXUWFJFHSA-N	401.510	5.137	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1	789719061	NDFZGPFFUOSEFA-PFONDFGASA-N	416.565	5.429	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c1=S	790458524	BMECLNCWYVEJQF-AWEZNQCLSA-N	416.538	5.196	30	20	HKED	
C=C(C)[C@@H](NC(=O)Cc1sc(SC(F)F)nc1C)c1ccc(F)c(F)c1	793850464	OUQUGOUCOLVHAT-OAHLLOKOSA-N	404.454	5.021	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCOc2cccc(Br)c2)s1	797567799	LXLOOZNASDCLLS-OAHLLOKOSA-N	421.360	5.239	30	20	HKED	
C=CC[C@H](CC)NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1	798554817	VGSKDJJGLYNVEN-SFHVURJKSA-N	402.604	5.092	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(CC)ccc23)nnc1-c1ccc(F)cc1	801221463	HLNVKOPLSLYBNW-UHFFFAOYSA-N	421.497	5.231	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1	805255575	SMFBEQZGYDIXIA-UHFFFAOYSA-N	400.768	5.240	30	20	HKED	
CC1(C(=O)OCCCCC(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1	805596440	MWFHVLHACVNWDD-UHFFFAOYSA-N	402.844	5.094	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3nc(Cl)c(C#N)s3)c3ccccc3n2)cc1	813369570	OGBBHUDZXAGNFY-UHFFFAOYSA-N	420.881	5.144	30	20	HKED	
CC(C)(C(=O)Nc1cc(C#N)ccc1O)c1csc(-c2c(F)cccc2Cl)n1	813500902	MPINNUDBOYCRMD-UHFFFAOYSA-N	415.877	5.096	30	20	HKED	
CC(=NNc1ccc(F)cn1)c1sc(-c2ccc(Br)cc2)nc1C	814842688	OGHQXTBIKMKVIE-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1	915087345	SNTMTPRWVAWILK-JOCHJYFZSA-N	410.502	5.042	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2s1	916627444	VLHLBTVZZIRAKF-PGRDOPGGSA-N	400.528	6.006	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3)n2)cc1	916628013	HLLZNEZGFPNOJZ-QGZVFWFLSA-N	411.324	5.300	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(OCC#N)cc2)ccc1OCc1ccccc1	916838219	BMXDPGGJFGGXNM-IBGZPJMESA-N	402.494	5.027	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2C)no1	917043401	IHDRXIBARZCTOT-OAHLLOKOSA-N	410.886	5.144	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nc2cc(Cl)ccc2s1	917044045	PCWSWRZMBYWTJK-SMDDNHRTSA-N	403.290	5.031	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1	917119410	CTJQHAROXWUDSO-QHCPKHFHSA-N	421.456	5.440	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2cccc(Cl)c2C)cs1	917547855	DUUPDDUEYAAROA-UHFFFAOYSA-N	419.337	5.889	30	20	HKED	
N#C[C@H](C(=O)CN1CCC[C@@H]1c1cccc2ccccc12)c1nc2ccccc2s1	920087761	FRXCBHKALIBXDQ-IFMALSPDSA-N	411.530	5.463	30	20	HKED	
Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	920832500	MLYMYYKEAFKJAQ-POHAHGRESA-N	411.845	5.287	30	20	HKED	
CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1	1786259091	HVLKZLSMBRCYGC-RBUKOAKNSA-N	417.553	5.498	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCc1cccc(C#N)c1	5585411	VSPVNTJUISAYDR-UHFFFAOYSA-N	412.445	5.252	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2cccc(C)c2)cc1	10173898	QTEFFLYUVRPABM-UHFFFAOYSA-O	419.570	5.349	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCc2ccccc2)cc1	22730786	GTLTVIBTTSCFRZ-UHFFFAOYSA-O	417.598	5.389	30	20	HKED	
C=CCN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccccc2)cs1	28909066	XGTOCFFOYAKUTP-NRFANRHFSA-N	420.534	5.201	30	20	HKED	
C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C	36023192	CARBEWXCDALLEZ-CYUIRQCWSA-N	411.552	5.159	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc2c(cnn2C(C)C)c1	56469947	MMIFXVHEUNLIEI-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CNc2cccc(OCCCC#N)c2)cs1	236794935	BEQOCYQGOTYLCG-UHFFFAOYSA-N	424.501	5.261	30	20	HKED	
COc1cc([C@H](C)Nc2cc(C#N)nc3ccccc23)ccc1OCc1ccncc1	301389711	ZOSILMPMNIKQPQ-KRWDZBQOSA-N	410.477	5.262	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	301765417	SAALETIRTJHLNS-HNNXBMFYSA-N	404.825	5.555	30	20	HKED	
CSc1ccc(C)c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1	303240472	JGDDBMVIYZRJQH-QHCPKHFHSA-N	402.519	5.291	30	20	HKED	
Cc1occc1-c1nnc(S[C@@H](C)c2ccc(C#N)cc2)n1Cc1ccccc1	303672550	GTSQQJWBSFMQIR-KRWDZBQOSA-N	400.507	5.620	30	20	HKED	
N#CCCCCSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1	409773003	KUBCXZGHNBWHBG-UHFFFAOYSA-N	407.520	5.493	30	20	HKED	
Cc1nsc(C)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	429682141	NCROXTOEQJJRHX-GFCCVEGCSA-N	408.335	5.680	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)s1	430607566	ZADOTBZQJUIVEI-ZDUSSCGKSA-N	419.337	5.423	30	20	HKED	
N#CCCC[C@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1	431367747	DEZLGCIBRJZQNO-NOZRDPDXSA-N	418.585	5.023	30	20	HKED	
Cn1cc(CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)c2ccc(Cl)cc21	431913668	WMATWINQAQLNIV-NRFANRHFSA-N	408.933	5.109	30	20	HKED	
CCCc1c(NC(=O)c2c(Cl)cc(F)cc2Cl)cnn1-c1cccc(C#N)c1	432144364	XBNHYALYZDJUQB-UHFFFAOYSA-N	417.271	5.395	30	20	HKED	
O=C(NCc1ccccc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	435852741	ZCDVWVXXLUTEJU-OAHLLOKOSA-N	408.317	5.337	30	20	HKED	
COc1cccc(SCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437459203	IIUYXYVYBCOJCC-UHFFFAOYSA-N	408.454	5.229	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1	437540364	VKQCXQNMHDNSHV-MISYRCLQSA-N	401.432	5.296	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1	438477014	HZPIHTALIZIIOX-UHFFFAOYSA-N	416.525	6.027	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H](CCC#N)c3ccccc3)s2)cc1	438842299	RILYVJSWSAMUHY-RXVVDRJESA-N	418.566	5.832	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)N[C@H](CCC#N)c1ccccc1	438855659	JVKFYGZMASOGGA-DENIHFKCSA-N	403.551	6.066	30	20	HKED	
N#Cc1cccc(-c2nnc(CN(Cc3cccc4ccccc34)C3CCCC3)o2)c1	441478023	SGMVCUFUINJHDY-UHFFFAOYSA-N	408.505	5.706	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1	442102321	KLJFECRVZSFRLT-QGZVFWFLSA-N	415.518	5.297	30	20	HKED	
C=CC[C@@H]1N(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)CCCC1(C)C	443872140	ZBVHGLHHZFWNKI-DEOSSOPVSA-N	418.581	5.285	30	20	HKED	
N#CCc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	444429298	CMEZJAQXYZXELO-MRXNPFEDSA-N	400.322	5.195	30	20	HKED	
C=CCc1cc(CNc2ccc(C(=O)Nc3ccccc3OC)cc2)cc(OC)c1O	446893546	GTFCUSBBBKVURL-UHFFFAOYSA-N	418.493	5.002	30	20	HKED	
N#C[C@@H]1N(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCC[C@@]12CCCCO2	448275091	GOKBUROVAAQSDG-UPVQGACJSA-N	423.944	5.020	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	448404585	CZRIHOQTPZEKHB-UHFFFAOYSA-N	417.513	5.281	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(C2CCCC2)nc1C	463108078	VSUAQEQGPQGPJA-UHFFFAOYSA-N	418.522	5.729	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(Cc3cc(C(F)(F)F)ccn3)no2)c2ccccc21	463123188	IEUPTUIIKWUTMT-SREVYHEPSA-N	423.398	5.113	30	20	HKED	
C[C@@H](O)C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1	469692270	VEHBSWVRXBDQLS-WIYYLYMNSA-N	415.493	5.027	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1	474907686	MPHDINODHNLUSI-UHFFFAOYSA-N	407.901	5.302	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1	476446179	FAKQWXGEOFQRLD-UHFFFAOYSA-N	409.873	5.469	30	20	HKED	
CC(=O)c1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	477829048	SAJRWINKBTXFNX-UHFFFAOYSA-N	403.413	5.123	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1ccccc1F	483623894	KINUJPKESJTXDZ-JKSUJKDBSA-N	401.507	5.199	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](C)Cc1ccccc1C(F)(F)F	484661862	BTHOFPDYSKSVQM-MRXNPFEDSA-N	400.444	5.354	30	20	HKED	
CCn1ncc2c(C(=O)N[C@H](CCCC#N)c3ccccc3)cc(-c3ccccc3)nc21	487345786	NLQABNVLMCSTLV-HSZRJFAPSA-N	423.520	5.283	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1	488014447	MQTSRFSBKBCJSR-DNQXCXABSA-N	402.444	5.169	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cnc(C)cn2)nc2cc(-c3ccccc3)sc2c1=O	488251027	LNJKESLEOYDPHB-HNNXBMFYSA-N	420.563	5.263	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1	488279906	DIFZBQPIPDXBEG-NRFANRHFSA-N	417.509	5.395	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1ccccc1	488317557	SRDJZPLPDVEIGU-FQEVSTJZSA-N	410.945	5.655	30	20	HKED	
N#Cc1c(NC(=O)c2ccnc(SCC(F)(F)F)c2)sc2c1CCCCC2	495807319	IXUWTHCSKZDGEQ-UHFFFAOYSA-N	411.474	5.190	30	20	HKED	
Cc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)sc2ccc(C#N)cc12	498988287	ZELXJNYLBJKFTJ-UHFFFAOYSA-N	417.881	5.044	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc([C@@H]4CCCOC4)c3)n2)cc1	500447722	AOEQTYYHAPUGTD-NHCUHLMSSA-N	402.519	5.503	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)CC2)cc1	503487910	MTMUHAGKCUWDPG-UHFFFAOYSA-N	407.473	5.110	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	504468267	CDAGKWSMXCIEEV-CQSZACIVSA-N	417.987	5.984	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	505815685	PDJNQPVPIKPOOF-HNNXBMFYSA-N	404.228	5.091	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)ccc2c1	505982811	VOFJJSBIMSHEJR-QKKBWIMNSA-N	412.411	5.352	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C	509582680	IMYHMPIKVLFPSF-UHFFFAOYSA-N	411.914	5.683	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1ccc(C#N)cc1	510425187	BVJXPMQWQQESSN-UHFFFAOYSA-N	423.520	5.526	30	20	HKED	
Cc1ccc(CN(Cc2cccs2)C(=O)c2ccc(C#N)o2)c(Br)c1	512359180	CBGRPMLORDUEDC-UHFFFAOYSA-N	415.312	5.126	30	20	HKED	
CSc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	513956883	LSWMWLKIDBMYNO-UHFFFAOYSA-N	405.498	5.654	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(C(F)(F)F)c1	520725984	FJCCFNXANKESFG-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
Cc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1	522093354	URQFVUWUAIWXLA-OAQYLSRUSA-N	404.901	5.063	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc(C)nc21	522486871	YATIAFYEFDMACQ-MAUKXSAKSA-N	415.522	5.324	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)CCO3)cc1Cl	523141103	HKZXBUDFPWJYQM-NRFANRHFSA-N	417.896	5.252	30	20	HKED	
COc1ccc(CSCc2csc(-c3cccc(OC)c3OC)n2)cc1C#N	533946917	USVFYUDIUBIKPC-UHFFFAOYSA-N	412.536	5.141	30	20	HKED	
CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1c(C)noc1C	535271096	RDYQOLFDPCNEAF-JOCHJYFZSA-N	420.488	5.165	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)nn1CCC#N	537516956	OBYMDPXZUXAFEO-UHFFFAOYSA-N	419.451	5.101	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@@H](C)C1	538161299	NLHKHNUPUWGHPV-VWQFJMCTSA-N	400.526	5.574	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1	539754696	AHYAZHUFHMELRC-HSZRJFAPSA-N	424.460	5.331	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1	540024342	GFEVBYVBJKHOKP-CQSZACIVSA-N	423.925	5.065	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1c(F)cccc1Cl	540475026	KJARXHTYTSHNBS-KBPBESRZSA-N	405.926	5.163	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(CCCO)c2)c1	541987107	JHLBDMAGXMVADM-UHFFFAOYSA-N	406.869	5.181	30	20	HKED	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(CC#N)cc1	542212167	FXDJCMLZGMPOME-INIZCTEOSA-N	403.448	5.011	30	20	HKED	
Cc1ncc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1	543980759	LVNHCMLOHSSHGO-LBPRGKRZSA-N	422.316	5.882	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	546710783	OOQLHWJUASQQHU-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	546929754	BKRVTJAMMXZKPM-OAHLLOKOSA-N	409.383	5.129	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1	554377233	HZHLDVPBEKUUKB-UHFFFAOYSA-N	407.493	5.147	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1	554962477	UGDWEIXOEAPOLO-UGSOOPFHSA-N	403.309	5.317	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1)C(F)(F)F	556067398	PQTTXNSAYYPNMS-CQSZACIVSA-N	421.369	5.761	30	20	HKED	
C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc2ccccc12	562199150	HMGIKUJLSWJVJS-KRWDZBQOSA-N	417.484	5.165	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1oc2ccccc2c1COc1ccccc1Cl	567636962	CVAZTCPYLDYWMW-UHFFFAOYSA-N	410.901	5.725	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2	575503771	CYFMGASVBISMAA-ABVOBTCJSA-N	401.554	5.124	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OCCC)CC1	576987281	MKHFXQLMDFKQMZ-HKUYNNGSSA-N	418.969	5.043	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccc(C#N)c1	600847443	SLDLVVFDWLQNAX-ZDUSSCGKSA-N	401.363	6.077	30	20	HKED	
COc1ccc2c(CC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)coc2c1	603991859	UPRNCXGHBSVXCH-UHFFFAOYSA-N	414.486	5.321	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSc2ccccn2)c1	609208214	JCFWPOXDWJICNA-UHFFFAOYSA-N	416.550	5.688	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCC1	609399414	UYWUCPTWIYYZPA-SFHVURJKSA-N	423.582	5.580	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3Cc3cccc(F)c3)c2)cc1	609660018	JBTAYSWSZFRMEJ-DEOSSOPVSA-N	414.480	5.124	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)ccc21	609763803	MYIUPYAFCUOEPD-UHFFFAOYSA-N	414.440	5.673	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(C#N)c1	610323862	LYVLGBAOIFJFMO-INIZCTEOSA-N	414.440	5.031	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c2)cs1	611992905	LTEWXGYWFQWVAE-CYBMUJFWSA-N	423.563	5.341	30	20	HKED	
CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	613346498	LEVUUDCMGWCOQG-INIZCTEOSA-N	417.317	6.006	30	20	HKED	
Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1	614609040	HVBMLXRONRISBN-UHFFFAOYSA-N	400.463	5.363	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	614928441	KJVFBHZKSIRYIU-UHFFFAOYSA-N	405.420	5.184	30	20	HKED	
Cc1cc(Cl)c2ncc(C#N)c(N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2c1	619792469	AAWXXCAHGWMKCI-RYUDHWBXSA-N	407.745	5.245	30	20	HKED	
COCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	642281681	OWXXXQUILGCIDW-CYBMUJFWSA-N	407.278	5.346	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)s1	671653464	JQVFGUVGRVKOBE-JIGDXULJSA-N	413.305	5.406	30	20	HKED	
CCC(CC)CN(CCC#N)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S	729470878	JKZFJGZKOLVWAI-UHFFFAOYSA-N	401.555	5.164	30	20	HKED	
C#CCOc1ccccc1OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	730509556	ITCPTIUCXDFEGW-UHFFFAOYSA-N	403.381	5.060	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C	730952743	ULDFCNPVRGAMHQ-INIZCTEOSA-N	422.579	5.212	30	20	HKED	
O=C(/C=C\c1ccc(OCc2cccc(F)c2)cc1)c1ccc(C(F)(F)F)nc1O	731564699	PHRHRTMVBWYPQL-POHAHGRESA-N	417.358	5.420	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Cl)ccc1Br)c1c(Cl)cccc1Cl	733258788	LRPMJAALLOHVHQ-ZDUSSCGKSA-N	418.505	5.404	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc2ccccc2c1)c1nc(-c2ccncc2)cs1	734081767	RDKLSPPENZWCCC-LJQANCHMSA-N	401.516	5.327	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1	734934206	FMYBLMFLKRUQJH-OXJNMPFZSA-N	411.571	5.233	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)COc3ccc(-c4ccccc4)cc3Cl)[nH]c12	735793268	ROHGWOIEXBPCRE-SFHVURJKSA-N	415.880	5.447	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2)cs1	744035030	MTKNTRDKMMEQEQ-HRCADAONSA-N	414.864	5.722	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](Oc1ccccc1C#N)C(C)C	744841340	WWDGXEMNCWSZIV-YZZKKUAISA-N	422.525	5.046	30	20	HKED	
C[C@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1ccccc1Sc1ccccc1	744859434	UEACXTDWTBKKGW-KRWDZBQOSA-N	408.523	5.182	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)c3snc(C)c3C#N)c3ccccc3n2)c(C)c1	748236948	SQZTUHYLHQOODG-UHFFFAOYSA-N	412.518	5.432	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2cc(F)ccc2F)C2CCCC2)cc1Cl	751446053	KWOAFYVFVOBPEG-UHFFFAOYSA-N	405.901	5.631	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/SCc2ccco2)cc1	753983546	IJWFVQLCYBQLIH-NTCAYCPXSA-N	404.491	5.310	30	20	HKED	
C#CC[C@@H](NCc1cc(Br)c(OC(F)F)c(OCC)c1)c1ccccc1	756995194	DIYQCTRJIBIEGI-QGZVFWFLSA-N	424.285	5.303	30	20	HKED	
CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)Cc1cccc(OCC#N)c1	760423968	YOPXQRYZQQACRE-UHFFFAOYSA-N	422.525	5.436	30	20	HKED	
CC(C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)(c1ccccc1)c1ccccc1	764311725	PQYJUDGKZLCFQE-UHFFFAOYSA-N	405.841	5.065	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(CC)ccc23)nnc1-c1cccs1	768416409	YKGGFBHAXAQPAA-UHFFFAOYSA-N	409.536	5.154	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccn4)n3)n2)cc1	768781055	JNPBCRFFQPDVEK-OAHLLOKOSA-N	402.504	5.127	30	20	HKED	
N#C[C@H]1C(CN2CCCC[C@@H]2c2cccc(Cl)c2)=CC(=O)n2c1nc1ccccc12	770002844	ZYPQPNJFAHTIFW-PZJWPPBQSA-N	416.912	5.104	30	20	HKED	
COCc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	770406412	NTOVHLCAGNZRJW-UHFFFAOYSA-N	401.466	5.236	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCOc3cc(Br)ccc32)c1	772982069	CYZJHLJMIBAUED-PXNSSMCTSA-N	415.331	5.134	30	20	HKED	
COc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2OC)cc1	776172498	YVDBAWGOGPNJLX-CJAUYULYSA-N	402.494	5.046	30	20	HKED	
CCN(CC)[C@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)c1cccc(C(F)(F)F)c1	780179466	ZFQYOTXLEYJRSF-YWZLYKJASA-N	419.447	5.018	30	20	HKED	
Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cnc(-c2ccco2)s1	782141887	CWOWKLBLCDPDMI-UHFFFAOYSA-N	422.322	5.139	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782555803	PMZWUJPMZSGCTP-MRXNPFEDSA-N	414.465	5.286	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](c3cccc(C)c3)C2)c1=S	784028662	XDOAMEWCVPODOS-FQEVSTJZSA-N	420.582	5.031	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C	791866010	WHRZOFSWGDLDHR-UHFFFAOYSA-N	408.542	5.571	30	20	HKED	
C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(OCC#N)cc1	793563968	APMDQTWYKWMBKX-KSFYIVLOSA-N	418.459	5.426	30	20	HKED	
C[C@@H](Sc1nc2c(Br)cccc2s1)C(=O)Nc1ccccc1C#N	794451924	IYDRVRPDPMEDNR-SNVBAGLBSA-N	418.341	5.050	30	20	HKED	
C=CCN(C(=O)C[C@@H]1CCCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	796542450	GKXOWUSDABIFBR-ZDUSSCGKSA-N	411.354	5.453	30	20	HKED	
C[C@@H](Cc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797570756	JWNMUKWRNGJQIR-SWLSCSKDSA-N	405.361	5.258	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	799604113	CFRUUVWBIZJBKQ-GOSISDBHSA-N	403.507	5.071	30	20	HKED	
C[C@H](CCOCc1ccccc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	806200422	CZUBVIKLYBSATC-NLFFAJNJSA-N	413.521	5.459	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1	915180549	ORRAVQBEUMZNRE-LJQANCHMSA-N	412.436	6.206	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(C)=NNc3ccc(C(F)(F)F)cn3)c12	915937613	RIPRNARFCPHSRB-UHFFFAOYSA-N	412.419	5.033	30	20	HKED	
CCCCc1ccc(NC(=S)Nc2ccccc2Oc2ncccc2C#N)cc1	916000635	OMCVKTBYRZCZAD-UHFFFAOYSA-N	402.523	5.897	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)ccc1OCc1ccccc1	916152077	OWBCNSDZSGGTST-RIYZIHGNSA-N	413.473	5.463	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccccc2F)o1	916944431	DNGOTXWFGUUQCE-OAHLLOKOSA-N	417.223	5.354	30	20	HKED	
Cc1sc2ncnc(NN=Cc3c(-c4ccccc4)nc4sccn34)c2c1C	917026798	STPQETMRHAOYRZ-UHFFFAOYSA-N	404.524	5.130	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2c2cccc(Br)c2)c1=S	917481864	CLOAPORZIWZUEJ-QGZVFWFLSA-N	419.392	5.035	30	20	HKED	
O=C(Nc1ccccc1SC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	919652734	DCEOSAPYWONVAE-DTORHVGOSA-N	422.341	5.596	30	20	HKED	
COc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	921266632	PVXSXGNGXZNKCG-GZTJUZNOSA-N	419.408	5.144	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O	1264802186	UKJJATVLAGIRHL-UHFFFAOYSA-N	407.857	5.019	30	20	HKED	
CC(C)n1c(O)nc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc21	1565669359	KTLWWVOANKEKBN-UHFFFAOYSA-N	412.449	5.239	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(C)o3)cc2)CCC1	1789585126	CZGFAAWHDBYGBV-GROYHEBESA-N	406.526	5.338	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1	1808203256	AQFKOMOXLWOYSU-UHFFFAOYSA-N	421.006	5.015	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1-c1ccccc1OC	6076798	JYXDXCUPLVLQQR-GOSISDBHSA-N	421.566	5.428	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2cccc(C)c2)c(C)c1	10168758	PQUMCSNAVVMCIV-UHFFFAOYSA-O	403.571	5.567	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)c1ccccc1	48857143	ULERWAGZGVTQHW-NRFANRHFSA-N	405.457	5.286	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(-c3ccco3)s2)cc1	53210342	WRYINDLHYWZUDS-UHFFFAOYSA-N	418.503	5.214	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cccc(C(F)(F)F)c2)cc1	71981828	BAMGKAFMERAMRG-UHFFFAOYSA-N	424.422	5.532	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)CSc3ccc(C#N)cc3)c(C)c2)c1	303246156	DLXFIDLPTIGKTJ-UHFFFAOYSA-N	402.519	5.485	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1F	303714283	UXQKFMVJXVHHKF-IBGZPJMESA-N	401.416	5.317	30	20	HKED	
C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2-c2ccccc2C#N)CCN1Cc1ccccc1	303781776	SOUGUAMFIPZONV-URXFXBBRSA-N	423.560	5.350	30	20	HKED	
CN(C)C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	303808780	KUECQHLALQEEIJ-QGZVFWFLSA-N	424.913	5.047	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(Cn2ccnc2)c1	410270507	HISUAFQGEJACMJ-UHFFFAOYSA-N	424.479	5.098	30	20	HKED	
C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	426906149	YQYOTDVLVULBAC-GOSISDBHSA-N	414.530	5.242	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1	429925155	MVLYMLPSIDRSNJ-UHFFFAOYSA-N	402.479	5.199	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c(C(F)(F)F)c2)cc1Cl	432006865	MJDFLHFQCFEKCW-MRXNPFEDSA-N	403.791	5.595	30	20	HKED	
Fc1ccc(C#CCSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1	433406383	OKTLAUIAOXYJDY-UHFFFAOYSA-N	409.269	5.238	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](CC(F)(F)F)C2)cc1	434288573	OWIFZPYQQVKHPJ-QGZVFWFLSA-N	404.457	5.265	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)ns3)n2)cc1	437379220	XMWQIEUIANTWPH-KRWDZBQOSA-N	412.499	5.295	30	20	HKED	
CN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	438547915	UXFLXVFVPZURCI-UHFFFAOYSA-N	415.371	5.626	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-]	439107609	ALMXJNHTEBIENX-UHFFFAOYSA-N	421.840	5.781	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccccc1)Cc1ccccc1F)c1ccccc1	440239992	KKJWVESONRKYHN-DEOSSOPVSA-N	401.485	5.583	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC(=O)c1cc(Cl)sc1Cl	446236359	VNERUYICEJTTAQ-HZPDHXFCSA-N	421.349	5.316	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	447724795	YJVSQDVGWWZPKC-XHBSWPGZSA-N	421.312	5.090	30	20	HKED	
CN(C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463745616	OMRXRWZSIBUJBC-YPMHNXCESA-N	416.337	5.352	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C	471885228	NMTSSSWHQVBXBC-LJQANCHMSA-N	401.514	5.117	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(CC4CC4)nc3C)n2)cc1	474966583	CCRXYYABJMSHNL-INIZCTEOSA-N	409.536	5.026	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(CSc2nccn2C)c1	476771439	HBBIBMCRQSIQPK-UHFFFAOYSA-N	405.567	5.817	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C1c2ccccc2-c2ccccc21	477788708	BHLCEDPPAULLOO-QGZVFWFLSA-N	413.546	6.172	30	20	HKED	
N#CCCn1cc(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)c(-c2ccccc2)n1	478222759	CPCRDTVLLVWXGT-XMMPIXPASA-N	400.501	5.329	30	20	HKED	
CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N)CCC2	478782534	BDWVKENOUFTUMH-WMLDXEAASA-N	414.600	5.499	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccccc1-c1nncn1C(C)C)c1ccc(F)c(F)c1	481058651	NAGXIFPBBPUUEM-FQEVSTJZSA-N	411.456	5.243	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482328298	QIWYKWKDPXUXOS-QWRGUYRKSA-N	410.280	5.339	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C	482774586	XQCRRFYHMKGHCX-MRXNPFEDSA-N	404.539	5.579	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(C4CCCCC4)n3)n2)cc1	483473278	LDRHJGBQOLZHSZ-SFHVURJKSA-N	406.511	5.010	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1	486804983	MXWLERWFBQEFIM-SANMLTNESA-N	419.484	5.052	30	20	HKED	
COCc1cccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	488331619	RSYJYIJOAKFIRJ-UHFFFAOYSA-N	420.896	5.118	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4c(F)ccc(F)c4c3)n2)cc1	497362871	JSOXACPLJRAMHB-MRXNPFEDSA-N	421.428	5.135	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cc1	497808461	PLBJITIURXPEJV-FGZHOGPDSA-N	418.443	5.352	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	498635683	GFVPVBGXVGAMFV-UHFFFAOYSA-N	416.243	5.699	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1	500081587	IIGQIHJPFSHXRX-UHFFFAOYSA-N	410.518	5.186	30	20	HKED	
CCCc1c(NC(=O)c2cc(Cl)c(F)cc2Cl)cnn1-c1cccc(C#N)c1	504806358	OIQUZRBMPGSZLM-UHFFFAOYSA-N	417.271	5.395	30	20	HKED	
CCOc1ccc(F)c(NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c1F	506727687	AAMIRUDYPVRCBZ-OAHLLOKOSA-N	410.289	5.067	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)N3CCCCC[C@@H]3c3ccccc3)CC2)c(F)c1	507700029	FPTDSWWSNDZXPG-HSZRJFAPSA-N	405.517	5.058	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(OC(C)(C)C)CC1	508863824	JTQKTMUODXMWCO-UHFFFAOYSA-N	409.361	5.222	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1	512788371	PKNRMFWMBONPIQ-UHFFFAOYSA-N	418.456	5.125	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](n4ncc5ccccc54)C3)cc2)c1	512843483	DPBKZBLRBJPKFS-NRFANRHFSA-N	423.476	5.179	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1cccc2ccccc12	516703036	HBIAKMZAOZVXCG-IBGZPJMESA-N	406.599	5.499	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)on2)c1	517215431	IVWUBRSIEPXQSV-UHFFFAOYSA-N	406.401	5.274	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	518148336	PBJSJEWEKKWUEC-MRXNPFEDSA-N	403.551	5.941	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl	518744521	WMSAFQIIUTVBCX-LLVKDONJSA-N	404.322	6.121	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc1	519913173	KVYDKXBDHJJETB-GOSISDBHSA-N	419.550	5.459	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1C1CC1	520448761	RQDYJWCCCDYMGM-UHFFFAOYSA-N	414.509	5.119	30	20	HKED	
N#CCCCOc1cccc(CNCc2ccc(CN3CCc4ccccc43)cc2)c1	521821212	IAEUPSOCNJVPQE-UHFFFAOYSA-N	411.549	5.222	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1c(F)cccc1F	522326842	ZWOKDLBYCYZNQX-INIZCTEOSA-N	423.438	5.449	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl	522458559	OPVUWZPNONWNBQ-MGPUTAFESA-N	401.963	6.111	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	522933312	CUWDGIBAXQNBKO-MRXNPFEDSA-N	406.869	5.197	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	533139125	MBCNVHILMSYIGX-UHFFFAOYSA-N	424.501	5.431	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	534485821	VCNFOIYVUCMVNI-LBPRGKRZSA-N	410.465	5.690	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1cccc2ncccc12	536405669	MGDGJILXRWUUFM-UHFFFAOYSA-N	413.864	5.829	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(C#N)s1	536973252	UNZHJGDKRRVXEY-UHFFFAOYSA-N	405.479	5.213	30	20	HKED	
Fc1ccc(-c2nc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)co2)cc1	538321960	HKZBLNKOSYKCTB-INIZCTEOSA-N	418.312	5.893	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1ccc(Cl)cc1	538672853	VRRVLQXTJQWDPX-AWEZNQCLSA-N	410.930	5.338	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N(CC)c3ccc(C#N)c(Cl)c3)cs2)cc1	539175138	KYSYGBZEYPDMAG-UHFFFAOYSA-N	411.914	5.401	30	20	HKED	
Fc1ccc(-c2cnc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)o2)cc1	539426155	KSEAUDSIOMCNBQ-KRWDZBQOSA-N	418.312	5.893	30	20	HKED	
COc1ccc(-c2nc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)co2)cc1	542011989	KEBBVVNIHSUPGG-SFHVURJKSA-N	409.489	5.740	30	20	HKED	
CCOc1c(Br)cc(CN[C@H](CCCC#N)c2ccccc2)cc1OC	552082805	DHJQOCYKCACNNR-LJQANCHMSA-N	417.347	5.381	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3ccc(NC(=O)N4CCCCCC4)cc3)CC2)cc1	552288368	RPGFRBAMKFFMJW-UHFFFAOYSA-N	417.557	5.047	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)c2nc(C(F)(F)c3ccc(Cl)c(Cl)c3)no2)cc1	554817558	XNQDEHPIYRZENT-CYBMUJFWSA-N	419.218	5.238	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	557099400	YAZDWUUNEKTINE-UHFFFAOYSA-N	415.946	5.399	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1OC1CC1	558103870	IJPKUHOYRCYEFB-UHFFFAOYSA-N	406.429	5.505	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(COC3CCCCC3)c2)C2CC2)cc1	559806339	YAARIJNBETXPGQ-UHFFFAOYSA-N	403.526	5.604	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(F)c(Br)c(Cl)c3)CC2)cc1	560607764	GJXBQXIDSJXBSL-UHFFFAOYSA-N	419.681	5.043	30	20	HKED	
CC1(C(=O)Nc2ccc3ncccc3c2)CCN(c2ccc(Cl)cc2C#N)CC1	561058403	HUGSYBPYUDVMHN-UHFFFAOYSA-N	404.901	5.005	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C	561239994	DPBJLXNVPGZJAF-UHFFFAOYSA-N	416.547	5.091	30	20	HKED	
CCO[C@@H](c1noc(-c2ccc(C#N)cc2C)n1)c1ccc(F)cc1C(F)(F)F	576313552	IOAORBMNQSZXNO-QGZVFWFLSA-N	405.351	5.201	30	20	HKED	
N#Cc1ccc(/C=C/c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1	577247404	LLNDEQBLGXTZBJ-CMDGGOBGSA-N	408.339	5.452	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Cl)c1	581520641	ICKKTNGXJRXNHN-MRXNPFEDSA-N	420.900	5.455	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCOc1cccc(Br)c1	581743356	RJHLCDXBHRJUIE-AWEZNQCLSA-N	419.344	5.251	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccccc3C#N)c3cnn(C(C)C)c3n2)c(C)s1	590765427	XQFFMDZCGXWVGA-UHFFFAOYSA-N	415.522	5.482	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cs1	592973847	JZLVTBCLPSDQFK-INIZCTEOSA-N	423.494	5.269	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)oc1C	608805509	KAQRZVXZCOKAKI-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CCCc2ccccc2)c1	608849619	DDGZEOMUYXSXJT-UHFFFAOYSA-N	413.521	5.022	30	20	HKED	
Cc1ccccc1OCCN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208974	MJUZNSMGEVDZLQ-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](COc1ccccc1)c1ccccc1	609356572	MBZPVMVPDOHZQR-RUZDIDTESA-N	411.505	5.076	30	20	HKED	
Cc1ccccc1COc1ccccc1C(=O)Nc1ccccc1SC[C@H](C)C#N	609378262	YZFOFKFRYYWJPB-GOSISDBHSA-N	416.546	6.078	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc21	609427615	ROOYNLUAPVVFLF-INIZCTEOSA-N	421.566	5.551	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1	609460660	PFTBLSBMGBZQFV-OAQYLSRUSA-N	410.395	5.279	30	20	HKED	
CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)S(=O)(=O)CCCCC#N	609801936	VYJQEZOCYRBWCB-UHFFFAOYSA-N	418.628	5.558	30	20	HKED	
COc1cc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[nH]c2cc1OC	609821966	KQWZSKWHOPYZFM-UHFFFAOYSA-N	413.433	5.101	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2)nn1	609874586	OSPMIFPCFVGDOO-UHFFFAOYSA-N	421.460	5.445	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c2)no1	610172257	IWRXEEJCSCUTLC-UHFFFAOYSA-N	405.502	5.006	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	610174464	ZEGDSLZDSXGJEB-LEWJYISDSA-N	418.443	5.466	30	20	HKED	
COc1ccc(NC(=O)[C@@H](Sc2ccccc2C#N)c2ccccc2)cc1Cl	610207684	TZHCQBCPBKFGIT-NRFANRHFSA-N	408.910	5.692	30	20	HKED	
Cc1ccc(NC(=O)[C@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Cl	610346321	TVQNBONQPRZECF-UZUQRXQVSA-N	403.913	5.551	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nc2ccccc2o1	614439800	KZCSOFJEVYIYIK-IBGZPJMESA-N	418.905	6.264	30	20	HKED	
C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1	670209545	CHTZCRLIHCDBAI-FQEVSTJZSA-N	412.541	5.090	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(OCc2ccccc2F)CC1	670216706	VRYKAFDKJRUPCK-UHFFFAOYSA-N	424.520	5.056	30	20	HKED	
Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	674553763	PVSIYULROHPVDA-QWRGUYRKSA-N	408.264	5.218	30	20	HKED	
COCc1cncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	680935069	VOWLGDNKJTVENF-HNNXBMFYSA-N	418.305	5.148	30	20	HKED	
COc1cc(C)c(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	681480068	SIQIBSAUGWTIFT-URLYPYJESA-N	416.337	5.174	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(C#N)c(C(F)(F)F)c1	726426436	YYTCOQSLKIWBNX-UHFFFAOYSA-N	417.822	5.230	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccccc2O)c2ccc(OCC)cc2)c1	726445408	WCZKFXWHNBQBBL-UHFFFAOYSA-N	402.519	5.176	30	20	HKED	
C#Cc1cccc(NC(=S)NCc2cccnc2Oc2ccccc2OCCC)c1	726467499	AFJSRYSOWPHZPG-UHFFFAOYSA-N	417.534	5.131	30	20	HKED	
C=CCOc1ccc(/C=C2/SC(=S)N([C@H](C)c3cccs3)C2=O)cc1OC	726630814	XPWTZFYBPXILCE-RNEAKCBISA-N	417.577	5.284	30	20	HKED	
Cc1oc(-c2cccs2)nc1CON=Cc1cccc(OCc2ccncc2)c1	727434125	IEZFABMUHBGFMI-UHFFFAOYSA-N	405.479	5.236	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727791918	VUAZXNFGYLTXEG-SJORKVTESA-N	410.304	5.232	30	20	HKED	
Cc1cc(C)cc(Oc2ccc(NC(=O)NCc3ccc(OCC#N)cc3)cc2)c1	727933550	GIDCFIXMIFLSRT-UHFFFAOYSA-N	401.466	5.320	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)c1nc(-c2cccs2)no1	728063059	VDAZUPDPGRVYSV-INIZCTEOSA-N	416.506	5.730	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3cccc4ccccc34)n2)cc1	730922995	SFPHZHOPPMEXHL-RJGXRXQPSA-N	424.525	5.952	30	20	HKED	
COc1ccccc1[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccccc1	730950473	OPDLZUIDIDBACR-NRFANRHFSA-N	407.926	5.296	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1	730988633	AFGIOUOQIRWCTI-AYYGCFCKSA-N	404.457	5.999	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)C2(c3ccc(C(C)C)cc3)CCCC2)n1	731139483	SVRGBHRUEMYNPO-GOSISDBHSA-N	410.539	5.131	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(Cl)sc1Cl	733083477	JUWXZNKNQKVVNI-SNAWJCMRSA-N	411.291	5.983	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(COc3ccc(C)cc3C)o2)c1	733774210	CXXDITSPGBMGHP-FQEVSTJZSA-N	418.493	5.086	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3cccc(OCc4ccccn4)c3)c2)s1	740011688	QYWWCSZGGSJDBN-UHFFFAOYSA-N	411.530	5.551	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)c2)s1	740479557	CHHAODVBFVJQTP-GGAORHGYSA-N	417.534	5.006	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(C)c(F)c(C)c1	741460771	PRMZMBWNEBGUPY-UHFFFAOYSA-N	403.383	5.149	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744076157	ZZEOKBWYAYAQFE-CUYVQJCZSA-N	418.509	5.638	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1	747108842	KSCOJJYFCIRAKV-CABZTGNLSA-N	413.663	5.237	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2sc3cccc(C)c3c2Cl)cc1C#N	752197836	CHYYPAXOWCZDBK-UHFFFAOYSA-N	413.886	5.556	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21	753912921	HAOVSUSPDGWMOM-NQSCKRDGSA-N	402.538	5.448	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(Br)cc(Br)c1O	756454349	CFZVQZZINCRKOL-MNOVXSKESA-N	424.136	5.201	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(C3SCCCS3)cc2)c(C#N)s1	756837120	DRDQEOZBBRBXBG-UHFFFAOYSA-N	402.610	6.038	30	20	HKED	
COc1cc(F)ccc1NN=Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	761884726	MGSQWYBSRNRVQP-UHFFFAOYSA-N	418.881	5.075	30	20	HKED	
Cc1ccc(Br)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	763262114	VWQRJDAXLWDCKV-HXUWFJFHSA-N	405.295	5.665	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCc3cc(Cl)cc(Cl)c32)ccc1OC	772979035	KDKLPVCVKYMPDQ-FUHWJXTLSA-N	405.325	5.460	30	20	HKED	
COc1cc(CNc2ccccc2O[C@@H](C)C#N)cc(OC)c1OCc1ccccc1	779988852	KVZYIMPCJNTYOP-SFHVURJKSA-N	418.493	5.186	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)nc1	781052371	ONJDZFXIVPOSEY-UHFFFAOYSA-N	417.465	5.061	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOc3c(F)cccc32)cc1	785836809	GYFFSBXUALXHMY-IRLDBZIGSA-N	401.441	5.126	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCc3ccccc3NC(=O)OC(C)(C)C)[nH]c12	790775631	BDGFHENTQBADKY-QGZVFWFLSA-N	418.497	5.027	30	20	HKED	
CC(C)(C(=O)OCc1ccc(CC#N)cc1)c1csc(-c2c(F)cccc2F)n1	795959326	YCQYKZAXKLLGHF-UHFFFAOYSA-N	412.461	5.175	30	20	HKED	
CCCCCCCN(C(=O)Cc1nnc(C)o1)[C@H](C)c1ccc(Br)cc1	797357994	HFOBLHHPBBZPLK-OAHLLOKOSA-N	422.367	5.243	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	801666199	RFIKTSIPLLHKDU-OAHLLOKOSA-N	422.300	5.332	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(F)c(Cl)c2)cc(OC)c1OCC(F)F	809155197	QVJJEIGGNRWRJF-UTCJRWHESA-N	400.780	5.036	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1c[nH]c2ccc(Br)cc12	811697411	KOMJPCKOYOPGBP-ALCCZGGFSA-N	410.296	5.345	30	20	HKED	
Cc1cc(Br)cc(NCc2cccc(C#N)c2)c1NC(=O)OC(C)(C)C	816602585	CXSWYLZPAZVEMK-UHFFFAOYSA-N	416.319	5.588	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)on2)cc1	915282151	HBQPIPBCYBPTOM-KRWDZBQOSA-N	419.893	5.964	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(C(F)(F)F)cc3)c(=O)c2c1-c1ccccc1	916283761	RMANFNVWGAXMHB-UHFFFAOYSA-N	413.424	5.334	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916628231	NYFDHOSBYLSFTB-NRFANRHFSA-N	418.518	5.357	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(-c2ccccc2)o1	916904194	YFTVJNOJAYTYSM-QFIPXVFZSA-N	414.505	5.352	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccccc1Cl	916908247	GJIMAEVJPSLSDI-MRXNPFEDSA-N	410.832	5.019	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cn(CC(C)C)c2ccccc12	916909066	RMBCUDGJPSACFV-NRFANRHFSA-N	415.537	5.383	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	916918477	PQFWHLVSUOCOGY-DYESRHJHSA-N	400.478	5.080	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C)o3)nc2C)cc1	916951685	ZWSBSYRATYZPDS-ACJLOTCBSA-N	421.522	5.495	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1	917119709	SICMWSRKTAWSRQ-DEOSSOPVSA-N	410.521	5.370	30	20	HKED	
C=CCN(C(=O)c1cnsn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	918552274	LIPFCLHMPUPLSL-UHFFFAOYSA-N	404.520	5.161	30	20	HKED	
C=CCN(C(=O)c1c(C)oc2ccc(OC)cc12)c1nc(-c2ccccc2)cs1	918552278	LUDQDVSVGDQBPY-UHFFFAOYSA-N	404.491	5.706	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCc3c(Cl)cccc32)cc1	919904348	IHJFCOHYLYVCOT-GGAORHGYSA-N	401.897	5.804	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc(F)cc3)n2)cc1	920139630	WGXVLUZQOUMVKR-SFHVURJKSA-N	412.511	5.316	30	20	HKED	
CC(=NNc1ncnc2c1oc1ccccc12)c1ccc(OCC(F)(F)F)cc1	920483115	VXKWAKUXBUIUDJ-UHFFFAOYSA-N	400.360	5.153	30	20	HKED	
COc1cc(/C=C2/Cc3c(F)cccc3C2=O)cc(Br)c1OC(F)F	921263470	DRQDBBLBDPSXIE-YHYXMXQVSA-N	413.189	5.021	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CC3(OC)CCC3)CCC2)cc1	1785842655	ZDNLGNVVACJBAS-UHFFFAOYSA-N	412.574	5.072	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)n(C)c3C)cc2)CCC1	1789974637	DKIFHIMOAZVYTE-JOCHJYFZSA-N	419.569	5.158	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(OC)ccc4Cl)cc3)CCC2)C1	1792084129	QXHXCEYRBAFUPM-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
CSCc1c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)oc2ccccc12	14496928	DFOSHIMWFDMMAJ-UHFFFAOYSA-N	405.504	5.543	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2ccccc2Cl)c1	22730407	AUHJAVHIDHHZLX-UHFFFAOYSA-O	401.964	5.357	30	20	HKED	
CCCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H](C)c1cc2ccccc2o1	53371364	OVZAYPQAKDYWIO-IBGZPJMESA-N	406.530	5.092	30	20	HKED	
COc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC(F)F	60974376	JHSYNRMCTLKMFS-UHFFFAOYSA-N	424.447	5.037	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2ccc(Cl)s2)n1	62896986	OAMMNOQOKFJXFK-UHFFFAOYSA-N	419.915	5.262	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1OC(F)F	65852497	NJNQFLIVZJAPPB-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
CC(=O)c1ccc(C#N)cc1N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1	302128289	XFBHIKNDFZSCPQ-UHFFFAOYSA-N	424.504	5.276	30	20	HKED	
CCN(C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12)[C@@H](C)c1ccc(C#N)cc1	303129500	OAFRNYZTOUMILP-SFHVURJKSA-N	424.504	5.602	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)s2)cc1	303756807	BSQSRMXKHSOJPQ-HZPDHXFCSA-N	411.889	5.140	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)c1ccc(Cl)s1	428714529	ZTZVHGPFAYXNNW-UHFFFAOYSA-N	418.849	5.247	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	431215769	ICMWIZKCSHZFBX-SBHAEUEKSA-N	422.598	5.255	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1	436340726	RQDDHHCDMXIQBE-UVBSCNOISA-N	403.910	5.551	30	20	HKED	
N#Cc1cc(NC(=O)Cc2cncs2)ccc1Oc1ccc(C(F)(F)F)cc1	437905424	DTWQNQWVEYXMQU-UHFFFAOYSA-N	403.385	5.007	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C	437931699	KURWVXPZCCEYCD-HOJAQTOUSA-N	413.587	5.111	30	20	HKED	
CN(CCc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438667431	XLZLQHFQIXZEMQ-UHFFFAOYSA-N	407.420	5.335	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](CCC#N)c1ccccc1	439660241	XIDBQOCEXVZCTO-KDOFPFPSSA-N	403.345	5.091	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4cscn4)c3)n2)cc1	442872061	IZMJPAMUFLDNHV-GOSISDBHSA-N	412.499	5.295	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CCCC1(C)C	445241346	QSUMNSPYOXKMNL-JOCHJYFZSA-N	405.542	5.846	30	20	HKED	
C=CCCC[C@H](C)NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1	446214872	GOEKIPITLUUGQI-ROUUACIJSA-N	413.587	5.453	30	20	HKED	
COc1ccc([C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)C(F)(F)F)cc1	464318690	NIYMUCQPIGBXEU-AWEZNQCLSA-N	413.264	5.026	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1	464814163	LDOZAJRJBDAPLV-RBUKOAKNSA-N	412.415	5.027	30	20	HKED	
Cc1csc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)n1	466093087	OKEGYCKDAYCDRK-HXUWFJFHSA-N	404.495	5.388	30	20	HKED	
C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Cc1cccs1	466141411	NFLJATWSVLQHJS-SFHVURJKSA-N	419.550	5.393	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)ccc21	469951080	UVGOIFPKHYWPRP-BJKOFHAPSA-N	423.516	5.165	30	20	HKED	
O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccccc1CCC(F)(F)F	473247633	BVGSUQIOVHPCTD-UHFFFAOYSA-N	408.317	5.547	30	20	HKED	
Cc1ccc(-c2ncccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)s1	474515148	GRIIGNJYWBGXAP-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
COc1cc([C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1OC1CCCC1	474908783	OPNGMRVGRYKWBS-WIYYLYMNSA-N	406.526	5.281	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C[C@H](CC#N)c1ccccc1	475252952	LKNKLZNFZZJUFB-CTNGQTDRSA-N	403.526	5.036	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1	475565866	XNDMDNVUPAMISE-QHCPKHFHSA-N	421.585	5.506	30	20	HKED	
CO[C@H]1CCC[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	475760957	HHSQZAXIIAUBAV-ZFWWWQNUSA-N	400.466	5.245	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1)c1ccc(F)c(F)c1	477725011	IGCHSOUTUHCGIT-ORAYPTAESA-N	401.482	5.594	30	20	HKED	
C=CCCCC(=O)N(Cc1ccc(Br)cc1)c1ccc(NC(C)=O)cc1	480891266	VEECYIJZZNOJRK-UHFFFAOYSA-N	415.331	5.297	30	20	HKED	
CCSc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1	481966383	JOSKNWZIRWSXCW-UHFFFAOYSA-N	412.565	5.066	30	20	HKED	
CC1(C)CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[C@@H]1C(F)(F)F	482057660	XDOIQNUHLPFQFN-IBGZPJMESA-N	402.416	5.401	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2C(C)C)cc1	484815254	ZIGNJGMCMDNDRU-UHFFFAOYSA-N	413.525	5.372	30	20	HKED	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1	487040377	FJVQJWPYKBXZJQ-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1C(C)(C)C	487062016	ORMJLXRRYOQUQQ-LJQANCHMSA-N	420.944	5.762	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(Cl)cc1	489640260	JDBAVDCGVYHLKL-HNNXBMFYSA-N	413.930	5.060	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1Cl	494199644	XMZJPIGPEZOVLI-CTNGQTDRSA-N	423.944	5.609	30	20	HKED	
N#CC1CCC(CNC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1	508374472	GUQMZTRGSAVNEW-BUNACBEFSA-N	400.881	5.045	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@]2(CC=CCC2)C1	508950521	KENGGNYEEPSMMZ-WRALFONMSA-N	404.558	5.036	30	20	HKED	
Cc1cc(C)c(C#N)c(SC[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)n1	514484042	UPRRPXYHLXUZEI-QPPBQGQZSA-N	418.562	5.138	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1C#N	514869873	LYABVLCLQSLJOY-UHFFFAOYSA-N	406.536	5.237	30	20	HKED	
CCc1nc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1	517420069	GVLRMUYXFNQZJV-SFHVURJKSA-N	410.930	5.336	30	20	HKED	
COc1cccc([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	518151342	PUZCWMHSSZZRAM-ZDUSSCGKSA-N	408.445	5.462	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1	518207212	BWYKMVGKTULRRR-KRWDZBQOSA-N	411.571	5.333	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1cccnc1	518681687	FSTWVRISKRFMQR-JTSKRJEESA-N	402.523	5.244	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1cccnc1	518681688	FSTWVRISKRFMQR-VGOFRKELSA-N	402.523	5.244	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2)c1	520197744	NJGSERKSRVERGG-HSZRJFAPSA-N	401.441	5.859	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	522312211	LYNDJJMMWPHBCM-UHFFFAOYSA-N	411.461	5.048	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1	523015054	XFDIJZOJQNUOAX-NRFANRHFSA-N	407.514	5.243	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1Cl	525044880	IZMXCDLKXQWSLG-MRXNPFEDSA-N	400.787	5.665	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1	526986636	OSXGCFKTPKKQDS-UHFFFAOYSA-N	412.515	5.023	30	20	HKED	
C[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1	527186699	NTAXVUIQRNAWQD-INIZCTEOSA-N	416.443	5.141	30	20	HKED	
N#Cc1cccc(CC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1	531390352	LYJWDKDCFBXIER-NRFANRHFSA-N	413.908	5.184	30	20	HKED	
N#Cc1cc(NCc2nnc(C3CC3)o2)ccc1Oc1ccc(C(F)(F)F)cc1	531496304	KGYCKEGGBZLFCA-UHFFFAOYSA-N	400.360	5.242	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1	531620673	LHNMMGFYWBCKJZ-SJORKVTESA-N	417.575	5.057	30	20	HKED	
N#CCCn1cc(CNCCc2nc3cc(Cl)ccc3s2)c(-c2ccccc2)n1	531778201	RQWWDNACZAZIHA-UHFFFAOYSA-N	421.957	5.059	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ncc(-c2ccccc2C)o1	534529532	KCLZCNJDNKFWDW-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2c(F)cccc2F)c1)c1ccc(C(F)(F)F)cn1	534583091	SWVQFYOZOPNPKL-HNNXBMFYSA-N	402.322	5.536	30	20	HKED	
COc1ccc(CNC2(c3ccc(F)cc3F)CCCC2)cc1OCCCC#N	535533512	QMORCUDLSZFQTI-UHFFFAOYSA-N	400.469	5.215	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ncccc3OCCCC#N)cc2)cc1	536316838	HBKPAMNAGWJTOH-UHFFFAOYSA-N	415.449	5.011	30	20	HKED	
COc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1OCCCC#N	537385768	PGDWTQMBWMDXKE-LJQANCHMSA-N	400.906	5.035	30	20	HKED	
CC(C)C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	540844096	HIJULHYPMAWWLV-ZEQRLZLVSA-N	423.532	5.003	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccccc2O)cc1Cl	540973944	KFHXKBQPVZLWPS-HXUWFJFHSA-N	405.885	5.065	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1nc(C(C)(C)C)cs1	541656693	WGIRVBXTEJQKST-GJZGRUSLSA-N	416.616	5.124	30	20	HKED	
C[C@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccc(-c2cccc(C#N)c2)cc1	542051701	LYBQTBZWBIPRGD-HNNXBMFYSA-N	402.523	5.120	30	20	HKED	
O=C(C[C@@H]1CCCO1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542156020	ZGETWHWTMFJMIN-AAEUAGOBSA-N	423.275	5.013	30	20	HKED	
CN(C(=O)C1CCC(F)(F)CC1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	543108815	DZGGVZZTNKOPJU-CYBMUJFWSA-N	403.313	5.593	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	543304909	RZQSNARWGNAYFX-WWMYMODYSA-N	409.555	5.704	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21	543479568	ATSLQCYFNHWOLT-MRXNPFEDSA-N	421.747	5.283	30	20	HKED	
N#C[C@@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccccc1Cl	544058616	FDTGMLFLJMYOHQ-OAHLLOKOSA-N	405.763	5.008	30	20	HKED	
CC(C)C[C@](C)(NCc1cnc2ccc(C#N)cn12)c1cccc(Br)c1	551821217	IMBLFZRQQMXZLO-NRFANRHFSA-N	411.347	5.020	30	20	HKED	
Cc1cc(C#N)nc(N[C@H](C)c2sc(-c3ccccc3Br)nc2C)n1	553445590	VHCUPBLFQLNAIQ-GFCCVEGCSA-N	414.332	5.024	30	20	HKED	
C=CCC[C@H](NC(=O)C1CCC(OC(F)F)CC1)c1ccc(C(F)(F)F)cc1	556940383	XGMIUENEEFHRBX-PREGVCBESA-N	405.407	5.627	30	20	HKED	
N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1Cl	567744386	YQPXWNXFKOYLRG-QFIPXVFZSA-N	406.917	5.249	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	569089208	GPYUDHNWYCEWOU-CQSZACIVSA-N	415.887	5.055	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	573987830	DKYNJOAVDKELLN-UHFFFAOYSA-N	400.453	5.255	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	583650193	NVNUAMWVVPZNCL-QHCPKHFHSA-N	424.928	5.303	30	20	HKED	
Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c(F)cc1Br	589921312	ZWMGGQGDPHIION-UHFFFAOYSA-N	402.050	5.327	30	20	HKED	
Cc1sc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c(C#N)c1C	591311593	UUSQNTCNOZCIER-UHFFFAOYSA-N	416.506	5.024	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	603521301	WSLQGEMOTUMEBS-HKWRFOASSA-N	419.484	5.458	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCOc1ccccc1	603532661	JLWMUWZJCHOOIA-UHFFFAOYSA-N	402.469	5.398	30	20	HKED	
COC(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	603765916	DBBTWRDHPQLXLS-HXUWFJFHSA-N	404.853	5.034	30	20	HKED	
C[C@H](c1ccccc1)n1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccccc1	603917212	FBYAEXFQGUPQFW-AUSIDOKSSA-N	410.546	5.781	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	608862995	PVPMDCKYHZDJNA-FQEVSTJZSA-N	415.459	6.266	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COc2ccccc2)c1	608918402	UOAPIPWCVJRNSF-UHFFFAOYSA-N	413.521	5.257	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1	608994916	VRNBFJBINXTVGO-LJQANCHMSA-N	418.324	5.400	30	20	HKED	
Cc1nc2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)ccc2n1-c1ccccc1	609068510	UYWDTGIBSOYGQS-UHFFFAOYSA-N	418.403	5.059	30	20	HKED	
COc1ccc(N(Cc2cccs2)C(=O)c2cc3ccccc3n2CC#N)cc1	609215513	BAYJQEUUVVMOOM-UHFFFAOYSA-N	401.491	5.082	30	20	HKED	
Cc1ccc(OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1	609384474	GSVQZLFLCGATSM-CQSZACIVSA-N	419.344	5.169	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1nc2ccccc2s1	609402868	FZLPJARUXVMAGK-HUUCEWRRSA-N	410.568	5.773	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCSc4ccccc43)cc2)cc1	609497369	KYMVGLRCKYBYTR-UHFFFAOYSA-N	400.503	5.688	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609927829	DFOMQKNFXASCGH-QFBILLFUSA-N	416.456	5.295	30	20	HKED	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cccc(C#Cc2cccs2)c1	610465651	YJEMZOWWMDEHIT-JWRCQZCYSA-N	422.575	5.110	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc2ccccc2[nH]1	611844436	UJTLUUCSXLDCTH-SJORKVTESA-N	409.493	5.223	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1ccc(Br)cc1)c1ccccn1	613296593	MGXXYPFNFFAEKF-GOSISDBHSA-N	423.335	5.626	30	20	HKED	
C=CCn1c(SCc2csc(Br)c2)nnc1-c1ccccc1OC	642250014	GWDRVONNCHCFMH-UHFFFAOYSA-N	422.373	5.256	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	673811400	AGPBCNXZXIPELX-SFHVURJKSA-N	409.283	5.275	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c(F)c2)cc1	674445852	VQAHNUDKQNFPLY-HZPDHXFCSA-N	419.340	5.614	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1c(F)c(F)cc(F)c1F	674651589	JCYPWTXCGKINEL-VIFPVBQESA-N	408.317	5.164	30	20	HKED	
Cc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)cc1F	675294577	GFXTZZBNNVIERG-MYJAWHEDSA-N	405.741	5.427	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	679562435	OEFMZCSHPYIQCW-GXSJLCMTSA-N	404.301	5.535	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	726857833	WRMBVVMEXBAQQR-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	729556890	QKRBXGSDDINQHA-LJQANCHMSA-N	422.485	5.051	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1nc2ccccc2s1	730071397	LNVLZBLICPMMLR-ZHRRBRCNSA-N	418.518	6.145	30	20	HKED	
N#C[C@@H](C(=O)CC[C@H]1CCCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1	732495546	CHOQCHGNGGOSFY-HIFRSBDPSA-N	409.338	5.642	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)OCc2ccc(OCC#N)cc2)cs1	733406355	BZKJSIHUKZFRCN-UHFFFAOYSA-N	410.520	5.003	30	20	HKED	
CCCOc1ccc(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)cc1Cl	733844208	SOIGJJVGVJJVRW-QGZVFWFLSA-N	401.894	5.131	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2SC(F)F)c1	734101624	SOEQSXMLGYTPTF-UHFFFAOYSA-N	410.445	5.704	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OC2CCC2)cc1	735741731	ALBYEMGSQUASIU-XMMPIXPASA-N	411.505	5.595	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1OC	735792620	NFEKXQXGJYEZSU-SFHVURJKSA-N	405.498	5.329	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(Oc2nccs2)c1	737316028	BXAVHHLCMGQLOH-LJQANCHMSA-N	413.458	5.050	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C	741638406	NBLHHNBJFPYEDY-UHFFFAOYSA-N	400.862	5.175	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1Cl	742715671	UMQNVSBASQUHLN-ZDUSSCGKSA-N	404.297	5.459	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(F)cc1F)c1nc2cc(C(F)(F)F)ccc2s1	752476370	PGTQXEQBHDNDGT-CYBMUJFWSA-N	410.367	5.402	30	20	HKED	
Fc1ccc(C2CC(=NNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)C2)cc1	759197786	XWHJZJHQGXAONG-UHFFFAOYSA-N	401.367	5.042	30	20	HKED	
C=CC[C@H](NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccncc1	759449372	XIILQIFANULNBJ-IBGZPJMESA-N	412.946	5.018	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	761661732	LDGUTRBVMARXBU-NRFANRHFSA-N	409.848	5.293	30	20	HKED	
CC(C)c1ccc(/C=C/CC(=O)OCC(=O)Nc2ccccc2SCC#N)cc1	763783987	YTRWYPNLPSNAQP-AATRIKPKSA-N	408.523	5.011	30	20	HKED	
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccccc1Sc1ccccc1C#N	766722323	MTRUWBUKCQZZKO-IERDGZPVSA-N	420.509	5.091	30	20	HKED	
N#CC(CCN1CCC[C@H]1C[C@H](O)c1ccco1)(c1ccccc1)c1ccccc1	769726787	CFSXNLNIQYWBIB-ZEQRLZLVSA-N	400.522	5.067	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)Cc2ccc(C(F)(F)F)cc2)ccc1OC	772985669	LUHMNKANTGGBFQ-KXBFYZLASA-N	406.448	5.116	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1cccc2ccccc12	774042561	KDWNTHGODAYKMC-HTAPYJJXSA-N	414.505	5.079	30	20	HKED	
C[C@H](NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(OCC#N)cc1	776153278	BBJBFOKFLBSMQV-CYFREDJKSA-N	417.578	5.101	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1Cl	777786043	ZUOFIWMFHINFIZ-UHFFFAOYSA-N	404.478	5.533	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cn2)cc1	790822727	GXUHMWPXJRNFOH-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
CCOc1ccc(-c2nc(COC(=O)C[C@H](CC#N)c3ccccc3)cs2)cc1	795984747	ZCNBBTGGQRBYER-IBGZPJMESA-N	406.507	5.340	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)CC(=O)Nc1ccccc1	799904433	HGIYPWLYOIDQQU-HNNXBMFYSA-N	414.962	5.038	30	20	HKED	
C#C[C@H](NC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C)c1ccc(Cl)cc1F	805776719	VWAQRXCLSJZDNW-DYVFJYSZSA-N	407.942	5.444	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	808816521	QPAUJFDBKGIOBE-JWQCQUIFSA-N	413.521	5.966	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	808816522	QPAUJFDBKGIOBE-LOSJGSFVSA-N	413.521	5.966	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(Cl)cc1	810163066	WFEUKZSRDLSKBO-OAQYLSRUSA-N	403.869	5.088	30	20	HKED	
CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	813060738	ITCCCYPIRKWDLV-BEFAXECRSA-N	417.843	5.365	30	20	HKED	
N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813213595	OGMLSKKXPWZVAM-LJQANCHMSA-N	410.395	5.083	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3cccc(Cl)c23)cc1	815909442	ABZVGHJBOMYVHK-KSSFIOAISA-N	407.901	5.225	30	20	HKED	
CSCc1cnc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1	816564902	UMAGKHOUPAXYHJ-UHFFFAOYSA-N	415.971	5.722	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1cccc(C(F)(F)F)c1	912697897	BJWHSKWPRIBBKZ-CQSZACIVSA-N	408.445	5.141	30	20	HKED	
COc1cc(C=NOCc2cc(-c3ccc(Cl)cc3)no2)ccc1OC(C)C	913029542	XHBWSCQIEAYQGZ-UHFFFAOYSA-N	400.862	5.342	30	20	HKED	
Cc1noc(C)c1CCC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	915102709	DOXXPPZJSPOGHB-YLSHDAJPSA-N	409.555	5.025	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cc(OC)c1OC	916140163	DBYBLMKNHCWWQO-DHZHZOJOSA-N	414.404	5.363	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)c2c1C	916311018	WDBOKVOLECCMSP-UHFFFAOYSA-N	418.305	5.524	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(CSc2ccccc2)cc1	916885454	XLGQVGQFZKCUDC-NRFANRHFSA-N	420.921	5.593	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1	916976824	UPAUFDSZELSISM-QGZVFWFLSA-N	413.329	6.025	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F	918556040	VEPVHIRGXWWDIN-IFXJQAMLSA-N	413.424	5.011	30	20	HKED	
CC(C)c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141945	NVSLSAPKPDLAQH-HXUWFJFHSA-N	401.491	5.060	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@@H](C)c4ccccc4)cc3)CCC2)C1	1791336504	PAYUTXGNAPPACO-LJQANCHMSA-N	402.538	5.281	30	20	HKED	
C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)Nc1ccccc1C#N	12424633	LLQKMDKDAXXDML-CQSZACIVSA-N	416.531	5.349	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2ccccc2C#N)cc1	14866807	RDPRGFBZEZLFCV-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NC)cc1	22733992	VVANFTLKQPEBGF-UHFFFAOYSA-O	410.390	5.343	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)cc1	23604149	YJSZOUQFVLWHDX-UHFFFAOYSA-O	418.586	5.157	30	20	HKED	
CCOc1cc(/C=C2\S/C(=N\C3CCCC3)NC2=O)ccc1OCc1ccccc1	23779132	IJSLNHNYZRTVLI-JCMHNJIXSA-N	422.550	5.167	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC	37133454	HTUVGKDSNPNEIF-UHFFFAOYSA-N	402.523	5.008	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C	46634472	SXSJTKUOCMUDSO-XMMPIXPASA-N	408.590	5.157	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(CCC#N)Cc3ccco3)cc12	57614560	WQLZMQZACBJKFX-UHFFFAOYSA-N	424.913	5.198	30	20	HKED	
CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc21	58465160	ZOWBTUZIBIOIEA-MRXNPFEDSA-N	418.547	5.148	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1Cl	60739915	WJJCROLWVGKKMH-LJQANCHMSA-N	414.896	5.443	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCOc2ccc(F)cc2)cc1	63681390	VNONSUGEQFUXGP-UHFFFAOYSA-N	420.509	5.189	30	20	HKED	
CCSc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccn1	65072958	AQSTXHFMUZIAHP-UHFFFAOYSA-N	403.507	5.091	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1	251686288	WDZMBRSLWYLFTI-XOKHGSTOSA-N	415.356	5.586	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCC(O)CC2)cc1	303372739	VQCHPIBZFGSQBU-PKNBQFBNSA-N	407.897	5.457	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	303936263	XXBSSQWOPDFHNT-HUUCEWRRSA-N	406.473	6.089	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3sc4cc(Cl)ccc4c3Cl)nc12	429582619	DMVOEWYJLGYRSZ-LLVKDONJSA-N	401.278	5.278	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2o1	430529639	IQZCXIHWBCSRSQ-LBPRGKRZSA-N	412.232	5.588	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)cc1F	435989315	CCBSSLKUFVMTOI-ZDUSSCGKSA-N	408.951	5.745	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1	438505239	BCEGEBLFWAZXSK-MWXNICTNSA-N	423.582	5.037	30	20	HKED	
CCN(Cc1ccccn1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	438627227	LVVOVOYXFZJDCT-OAQYLSRUSA-N	404.901	5.444	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1F	438673606	UTGCVCGKZXBMHY-SFHVURJKSA-N	405.454	5.458	30	20	HKED	
C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(-c2ccncc2)cc1	444287534	DMESBEXHUVUGHB-LJQANCHMSA-N	408.505	5.498	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cnn(C3CCCC3)c2C)cc1	444493946	GOMKKHGXXRGJLK-UHFFFAOYSA-N	400.482	5.531	30	20	HKED	
Cc1cc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1C#N	447293682	XHZJZKQTKKPLPS-UHFFFAOYSA-N	406.294	5.428	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)c1	462416251	AAFFXDNWCQKPBK-UHFFFAOYSA-N	405.350	5.629	30	20	HKED	
N#C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1cccc(C(F)(F)F)c1	463764492	OHSXKFVQYUGADI-FQEVSTJZSA-N	413.374	5.265	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464424966	IRFWIEKGKGCUEG-QGZVFWFLSA-N	418.378	5.201	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC(=O)Nc1ccccc1-c1ccccc1	464810217	DTWAIZVHWHLLKO-AZGAKELHSA-N	409.533	5.454	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1cccnc1	466644753	LGEUGEKIANJYQY-CYBMUJFWSA-N	424.917	5.083	30	20	HKED	
CSc1ccccc1CN(C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	471302785	DJSHGVOOQDCSDQ-UHFFFAOYSA-N	418.566	5.075	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccccc1-c1ccccc1C#N	472840874	XIRJBFGIEXDFRT-LJQANCHMSA-N	406.489	5.592	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1ccc(C(C)(C)C#N)cc1	475759258	LIQSFLPAIMAJSO-UHFFFAOYSA-N	400.526	5.532	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C	476085035	PVJKMNIFUBGBFB-UHFFFAOYSA-N	424.548	6.048	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)cs1	477682374	YSCPSWZIWFISJI-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1cc2sc(NC(=O)c3occc3COc3cccc(C#N)c3)nc2cc1F	478106102	ZMQYQQMILRJYMY-UHFFFAOYSA-N	407.426	5.040	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)cc1C(F)(F)F	480392204	JAYZYHSZPUAIER-UHFFFAOYSA-N	404.841	5.649	30	20	HKED	
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)cc1C#N	480713727	MYSVYFWPZAFLPA-UHFFFAOYSA-N	409.839	5.080	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(Cl)c1OCCOC	480825020	DOCZHECKJGLRSI-UHFFFAOYSA-N	415.342	5.300	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1	481155766	KLSBVDHAKWVODT-UHFFFAOYSA-N	408.951	5.762	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccccc2)cc1	481223655	FZDCUWLNICZAPO-DEOSSOPVSA-N	411.505	5.035	30	20	HKED	
CN(C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C1CCC(F)(F)CC1	481332191	RYFYJBCCRFTNHH-ZDUSSCGKSA-N	416.337	5.111	30	20	HKED	
Cc1occc1-c1nnc(SCc2ccc(F)cc2C#N)n1Cc1ccccc1	483067391	ISTNZKYVGFPILK-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1nccc2ccccc12	483192813	HLJBWJZLTINRDT-HXUWFJFHSA-N	412.395	5.234	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1	483212721	KPKDUPFSQMQAES-HSZRJFAPSA-N	403.441	5.697	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(OC(F)(F)F)c1	485572844	UOZGGQLVPSNABZ-UHFFFAOYSA-N	412.367	5.526	30	20	HKED	
COc1cc(SC)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	487426143	HPJXFWVPSUZPEU-UHFFFAOYSA-N	406.532	5.692	30	20	HKED	
CCc1onc(C)c1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C	487441066	DYETYIPDWSRSEI-UHFFFAOYSA-N	424.526	5.136	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](CCc1ccccc1)C(F)(F)F	488405688	UPZVECXECGHBTK-QHAWAJNXSA-N	415.459	5.031	30	20	HKED	
C=CC[C@H](C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1	488685726	MVHGJZVEYNZWCT-QHCPKHFHSA-N	402.469	5.054	30	20	HKED	
C=C[C@H]1CCCCN1Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1	489471206	GQTBRNHCIQDXHY-KRWDZBQOSA-N	409.477	5.387	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1)c1ccccc1	489633912	SHUDOGOTSLQWBQ-HXUWFJFHSA-N	403.482	5.274	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2ccccc2Cl)n1	492193633	DBGHOQXQHDTOPC-UHFFFAOYSA-N	400.906	5.360	30	20	HKED	
Cc1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)ccc1-c1ccccc1	494252819	BMPNKBUPZLUNNZ-UHFFFAOYSA-N	406.533	5.729	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc(-c4ccccc4)nc3C)n2)cc1	496552429	LSFJKRUFPHFMHT-GOSISDBHSA-N	415.474	5.272	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCn1c(C)nc2ccccc21	497083002	URRNMDHCDQNZDV-UHFFFAOYSA-N	424.504	5.133	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1	499377429	LCCLRESRQMJTIN-VQTJNVASSA-N	421.294	5.251	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503840957	OHACFTFCVFZPAH-UHFFFAOYSA-N	421.859	5.244	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccc(C#N)cc1	505310530	KWSPCOZCAGSYLX-CQSZACIVSA-N	424.957	5.472	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccccc3C(F)(F)F)n2)cc1	505443595	KIAAFTOUHCCHEB-AWEZNQCLSA-N	417.412	5.083	30	20	HKED	
N#C[C@H](NC(=O)c1cc(F)c(F)cc1Br)c1c(Cl)cccc1Cl	505514287	QXFWIBUHDVOPAC-ZDUSSCGKSA-N	420.040	5.029	30	20	HKED	
CCc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2c(C(C)C)noc2n1	509469103	GSTQBWBAHIFYRB-CQSZACIVSA-N	408.527	5.555	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)s1	510675682	RWVMMOHRXHWBJB-SFHVURJKSA-N	408.502	5.007	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1	511502163	BILJSKQSWUQEMN-UHFFFAOYSA-N	405.672	5.016	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1F	512484096	MYUPLOANRMDCCH-UHFFFAOYSA-N	414.408	5.702	30	20	HKED	
CCOc1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC	512561077	UOEKTIHTNQINNV-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	515547212	QIHZOSPFSQRAKS-HFBAOOFYSA-N	409.898	5.034	30	20	HKED	
Cc1cccc(OCCSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	518667911	OYPDMLGHBQLSFF-QGZVFWFLSA-N	400.569	5.140	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1	521120048	GFIZTUSMNAEUNE-CJFMBICVSA-N	417.553	5.874	30	20	HKED	
CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1OC(F)F	521165827	DWEVYCOQNKJDBM-FQEVSTJZSA-N	415.484	5.479	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N1CCc2sccc2[C@@H]1c1cccs1	522287938	NNYJLKPPTBYYNA-OAQYLSRUSA-N	410.564	5.232	30	20	HKED	
CCOc1ccc(-n2c(S[C@@H](C#N)C3CCCCC3)nnc2-c2ccncc2)cc1	524535831	VSGKBEQXSOXJCK-NRFANRHFSA-N	419.554	5.293	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3c(s2)CCCC3)cc1	530894493	LICMJRYTDBPWNT-UHFFFAOYSA-N	405.548	5.438	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccccc1Cl	532473997	FANBMXOZVSJDMC-HOTGVXAUSA-N	401.963	5.366	30	20	HKED	
Cc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C	532486474	YMGIACNMPMHVJW-JTSKRJEESA-N	407.583	5.331	30	20	HKED	
N#CC1(c2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)CCCCC1	533757421	ZKFDTDOFYJRBQD-UHFFFAOYSA-N	413.506	5.648	30	20	HKED	
C=C[C@@H](CC(=O)N(c1ccccc1)c1ncccc1Br)c1ccccc1	536971535	PYCASERQWPAKSY-KRWDZBQOSA-N	407.311	5.869	30	20	HKED	
C[C@@H](NCc1ccc(C#N)s1)c1nc(-c2ccc(Br)cc2)cs1	537318866	QEXZWXGOMXZDBY-LLVKDONJSA-N	404.358	5.357	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1Cl	537340707	KQFOADZKIGNZDJ-HNNXBMFYSA-N	410.930	5.481	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F	537419971	GOQSFNCTWAMAOC-HSZRJFAPSA-N	417.459	5.167	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(OCc2cccnc2)cc1	539450345	YBIHBPRUCGTLOD-WSFMRIJLSA-N	411.549	5.715	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@H](c3ccc(Cl)cc3)c3cccs3)CC2)cc1	539497356	GAEUNOMFVQGGHP-XMMPIXPASA-N	421.997	5.617	30	20	HKED	
CCN(Cc1ncc(Br)cc1Br)[C@@H](C)c1ccc(C#N)cc1	542518948	MRNARFDLDBASAK-LBPRGKRZSA-N	423.152	5.061	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543896393	CTGUIPDZZDQXEV-GOEBONIOSA-N	405.523	5.189	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1	543993696	YTULUEGEZZUCEX-QRQCRPRQSA-N	413.974	5.414	30	20	HKED	
N#CCCC[C@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccccc1	552311796	ALQBPURLTMYIAW-IBGZPJMESA-N	416.377	6.642	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)NCC(C)(C)CCC#N	554463813	XEIPJEPVXKSGPU-UHFFFAOYSA-N	407.493	5.139	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CSc2ccccn2)c1	558318455	KJXFFYIOGLPOHV-UHFFFAOYSA-N	423.538	5.069	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)c(Br)c(Cl)c1	560550010	SOAJFYDBXSIUMT-RHSMWYFYSA-N	421.697	5.154	30	20	HKED	
N#CCc1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1	564161622	TXLYEOZFTXKMDQ-UHFFFAOYSA-N	404.516	6.105	30	20	HKED	
CCCN(CCN1CCCCCC1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	571084621	SWTPMQBOHQLPSE-IBGZPJMESA-N	402.608	5.201	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)cc2)ccn1	575099409	WFEJIHNXXJKODL-XMMPIXPASA-N	421.460	5.052	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C	591743376	XDEXRAIJFUZOLN-UHFFFAOYSA-N	420.937	5.133	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CCc3ccc(C)cc32)cc1OC	592461443	MLKXEHNHZLUHRA-LJQANCHMSA-N	402.332	5.108	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12	603727835	QPQVTVSCYACYAG-UHFFFAOYSA-N	406.511	5.288	30	20	HKED	
Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609063561	DHEOUOFXCXFSGQ-UHFFFAOYSA-N	421.500	5.484	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2)n1	609064236	MIQJFYYSLWNHKN-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
CSc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1NC(C)=O	609176992	CLNAHGAMHGGZTQ-UHFFFAOYSA-N	417.490	5.283	30	20	HKED	
C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cc(Cl)ccc1F	609222091	QZYTVADHOOYVQI-AWEZNQCLSA-N	409.848	5.582	30	20	HKED	
C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1	609222158	VJCBQSZPYDUEHC-HNNXBMFYSA-N	416.868	5.315	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1	609377611	XXLYERMLJVKYPV-AWEZNQCLSA-N	406.473	5.873	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1	609427485	DMHLRMWQUQKRAC-HNNXBMFYSA-N	405.479	5.178	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(C(C)(C)C)cs1	609436614	BSMJONSVQISOSL-KGLIPLIRSA-N	402.589	5.718	30	20	HKED	
N#CCCN(C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(F)cc1	609521940	GTPVGNNOQFZLLO-UHFFFAOYSA-N	410.452	5.239	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cnn1-c1ccccc1Cl	609563180	MEHVJXBRDAGJPL-GFCCVEGCSA-N	410.930	5.144	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CNc2cccc(Cl)c2)cc1	609622206	HCBCFZRBDDVQSL-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1	609722426	XDBINQKODWANFN-UHFFFAOYSA-N	422.853	5.368	30	20	HKED	
N#Cc1cc(NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc2ccccc12	609894737	LEEAXJFTSMUPJB-UHFFFAOYSA-N	410.443	5.202	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc3ccc(F)cc3c2C)c1C	610053736	LWDNNYDOWWVYPX-UHFFFAOYSA-N	404.470	5.275	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1cccc(CSc2ccccn2)c1	610218732	NEIFGZZJZJSLGN-HNNXBMFYSA-N	423.538	5.504	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCC(OC(C)C)CC2)cc1	611048696	ZARLRQKXYKRLCH-UHFFFAOYSA-N	423.513	5.217	30	20	HKED	
C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1c(Cl)cc(C#N)cc1Cl	611096775	GYQRXKZWXQUKKJ-JTQLQIEISA-N	417.214	5.081	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1Cc1ccccc1)c1nc2ccccc2n1C(F)F	613401840	PDRULGRVJUGXPR-IBGZPJMESA-N	401.416	5.512	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2C)c1	613407043	FINIRPOAAZRXGJ-INIZCTEOSA-N	406.898	5.242	30	20	HKED	
C=CCn1c(S[C@H](C)c2cc(F)ccc2F)nnc1[C@@H]1COc2ccccc2O1	615341816	HYHWGZNVDUHZHT-YJYMSZOUSA-N	415.465	5.108	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(O)ccc1C(F)(F)F	684387398	JPCNBRAHDJHOTJ-BRPSZJMVSA-N	423.275	5.050	30	20	HKED	
Clc1cccc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)c1Cl	726594733	ONFIMTDAUBNJHK-UHFFFAOYSA-N	417.079	5.901	30	20	HKED	
CC(C)C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1cccc(C(F)(F)F)c1	726845053	BIWKAEQJAZWDLI-LJQANCHMSA-N	405.420	5.517	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2F)c1	728182872	KMXQENRSTAKTJP-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
N#CCOc1cccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c1	729824806	GRQQFMZIOWIKJK-UHFFFAOYSA-N	421.703	5.472	30	20	HKED	
N#C[C@@H](C(=O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1)c1nc2ccccc2s1	731032843	IWYJSCCTGQDCOY-LAUBAEHRSA-N	414.534	5.181	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1Cl	731062431	KBXGQANSXRXOOJ-LBPRGKRZSA-N	423.321	5.041	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731962727	VKENKLNVMKGXGO-XMMPIXPASA-N	404.535	5.222	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=S)Nc2c(C(C)C)cccc2C(C)C)c1	733753686	CVMBDSOYTKGOOG-LJQANCHMSA-N	409.599	6.101	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	741113088	NBDHQRRWAYRNAK-LIRRHRJNSA-N	419.531	5.047	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2occc2CSc2ccccc2)cc1C#N	752193957	LMXUKCJKVYZTQZ-UHFFFAOYSA-N	421.478	5.264	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	756231010	KAWYLZJIHMXEOE-KRWDZBQOSA-N	411.870	5.181	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)ccc1OC(F)F	758410960	QWLBACDPSIOUDZ-CQSZACIVSA-N	417.412	5.075	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1cc(C)c(C)cc1C)[n+]1ccc(C(CC)CC)cc1	759049307	GSJYAVPHXGVQHN-UHFFFAOYSA-O	407.603	5.237	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)CCCCc3ccc(Cl)c(Cl)c3)CCO2)c1	762298439	LPNKSIGMQOJUGR-OAQYLSRUSA-N	417.336	5.178	30	20	HKED	
Cc1cccc([C@@H](O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	768965055	HGFOXWIEHZEXTR-GGAORHGYSA-N	419.912	5.159	30	20	HKED	
C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nc2ccccc2n1C(F)F	769547549	VRZYOFUKYRHSAO-OAHLLOKOSA-N	422.435	5.608	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1	770665255	HOIGJPVYAVOJPD-YWZLYKJASA-N	406.473	5.286	30	20	HKED	
CN1C(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(=O)[C@@H]1c1ccccc1	771817313	IVKPMZZXMOCGJI-IRLDBZIGSA-N	415.880	5.135	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccccc3F)s2)ccc1OC	772987395	UBWIAVNXRCVWIY-AEFFLSMTSA-N	424.541	6.095	30	20	HKED	
N#CC1(c2ccccc2)C/C(=C/c2ccc(F)nc2)C(=O)/C(=C\c2ccc(F)nc2)C1	777465839	JKOKOSOHNWJTHF-PZRYXVKFSA-N	413.427	5.046	30	20	HKED	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	779396445	HHRSPDHXXXEAKU-DQEYMECFSA-N	413.521	5.147	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1	779495851	MBTRWYBEOJTUAS-UHFFFAOYSA-N	422.529	5.027	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	779988134	AKGKZTSEUZFAIT-ZDUSSCGKSA-N	403.429	5.732	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1	780162774	KMRYUGSXTGAIMP-CQSZACIVSA-N	411.483	5.173	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CCC2	780412098	DZRARKUMWFVITF-JOCHJYFZSA-N	415.497	5.327	30	20	HKED	
COc1ccc(-c2csc(CNC(=O)Nc3ccccc3O[C@H](C)C#N)c2)cc1	780679503	BXIPWINZJBDAPJ-OAHLLOKOSA-N	407.495	5.036	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)c1c(C(F)(F)F)nn(CC)c1C(F)F	783873122	IQYCRVYAJSQVQH-UHFFFAOYSA-N	417.378	5.010	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(SC(F)F)cc1	786960829	WRTKJBWIWKHVQB-HNNXBMFYSA-N	415.509	5.757	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@@H]([C@@H]2CCCOC2)C(F)(F)F)cc1	789649943	NTFZJNLCAOWSNV-XLIONFOSSA-N	419.399	5.173	30	20	HKED	
CCC1(c2ccc(Cl)cc2)CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	791861260	JBBQSZUZXXMFFV-QGZVFWFLSA-N	411.933	5.607	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)s1	797570931	KPPPLWHSQZBBRX-AWEZNQCLSA-N	420.494	5.046	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccc1OCc1ccccc1	797571928	XIIHFZNLECOAPQ-GOSISDBHSA-N	420.534	5.518	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCc2ccc(C#N)c(Cl)c2)c1	801630098	LMVJSFMTVJONDE-UHFFFAOYSA-N	418.856	5.019	30	20	HKED	
Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cc2ccccc2o1	812456492	GNFKWUYEVWUUKR-UHFFFAOYSA-N	419.293	5.081	30	20	HKED	
CC(C)(CCc1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1)[N+](=O)[O-]	812813419	KDZLRXICRQYDAS-UHFFFAOYSA-N	412.833	5.042	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(F)c(F)c2F)cs1	814946541	QWRJETOAOYPIBF-UHFFFAOYSA-N	424.835	5.344	30	20	HKED	
CN(C)c1ccc(C#N)cc1CNc1cc(C(=O)N(C)c2ccccc2)ccc1Cl	864006546	IWNHNTVSSAXBOT-UHFFFAOYSA-N	418.928	5.166	30	20	HKED	
CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1ccc2c(c1)CCC(=O)N2	915942300	LRLNGOVAWFQNHJ-UHFFFAOYSA-N	413.506	5.079	30	20	HKED	
CCN(CC)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	916678902	FAOSGSJVCNYLQM-VWLOTQADSA-N	412.537	5.510	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	916900258	XFTCBLVWRYGRBM-HXUWFJFHSA-N	424.378	5.459	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccccc2F)o1	916944430	DNGOTXWFGUUQCE-HNNXBMFYSA-N	417.223	5.354	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Br)c1OC(F)F	917143548	JONKBKOASCQNGN-VOTSOKGWSA-N	417.633	5.609	30	20	HKED	
COc1cc([C@H](C)NC(=O)/C=C/c2ccccc2C#N)ccc1OCc1ccccc1	917764275	VMOGKRINHOFKEM-LLLGYDHXSA-N	412.489	5.036	30	20	HKED	
C=CCn1c(=S)n(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccccc21	918732839	NERANVVOGAUGQK-STQMWFEESA-N	423.426	5.378	30	20	HKED	
Cc1cccc(CSCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920140453	HLPBYOPSOMXMEC-IBGZPJMESA-N	403.532	5.100	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)n2)cc1	920142586	QUUXZYHIGOKOAH-BZUAXINKSA-N	403.429	5.227	30	20	HKED	
CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920144808	XYYABNQGDRONDP-HXUWFJFHSA-N	406.507	5.026	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1C	920854357	LOZZBIBOPSKJCX-UHFFFAOYSA-N	421.932	5.052	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1	1790894026	AKHUBCAXVZNJEQ-UHFFFAOYSA-N	424.447	5.392	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826269039	VETNQBBASPHCSV-HSZRJFAPSA-N	416.650	5.569	30	20	HKED	
COc1cc(/C=C(\Cl)c2ncc(-c3ccc(Cl)cc3)o2)ccc1OCC#N	7912362	MYRPYKHZGMPJQT-YBEGLDIGSA-N	401.249	5.643	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc2ccccc2c1	9542072	JKKYSRNMNLNTOG-UHFFFAOYSA-N	415.518	5.171	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2F)n(Cc2ccccc2)c1C	16674990	OBSFNXZAICBGFB-UHFFFAOYSA-N	411.477	5.034	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2ccccc2)cs1	41534099	JGNVKWKOSGREON-HNNXBMFYSA-N	410.882	5.115	30	20	HKED	
CC(C)c1noc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	44552078	ZYOUNOSXQIJKBY-GOSISDBHSA-N	408.889	5.073	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1OC(F)F	60127441	IKMGJHZFBNTKOY-HNNXBMFYSA-N	423.419	5.391	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	63733689	FUPAJNCLRSDJMP-UHFFFAOYSA-N	419.481	5.200	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-n3ccnc3)c2)cc1	63840099	QGGDWMFSYIBDSY-UHFFFAOYSA-N	410.502	5.289	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(C)cc3)no2)nnc1-c1ccccc1F	195548928	SMYFRHJXRWOKHG-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccccc1F	195569111	ZVBYYCBIRHKDDI-ZDUSSCGKSA-N	401.894	5.287	30	20	HKED	
Cc1sc(NC(=O)c2cc(Br)sc2Br)c(C#N)c1C	227265082	IJWUDTCAGDPBJF-UHFFFAOYSA-N	420.151	5.075	30	20	HKED	
COc1ccc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2ccc(F)cc2)cc1	237360255	OSHCBOJLWWJJSQ-RUZDIDTESA-N	403.501	5.063	30	20	HKED	
C=CCn1c(SCCCSc2ccccc2Cl)nnc1-c1cccnc1	303182874	IMEFIEBXBFNJQW-UHFFFAOYSA-N	402.976	5.454	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1	303297003	CEXJYHJBKGQFKS-INIZCTEOSA-N	407.564	5.694	30	20	HKED	
COc1cccc([C@H](CNc2ccc(C#N)cc2F)c2c[nH]c3ccccc23)c1OC	303388957	NBFBWNTXZAZCFB-FQEVSTJZSA-N	415.468	5.440	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3occc3C(C)C)no2)nnc1-c1ccco1	426245937	XXLZNNPRVOGAHN-UHFFFAOYSA-N	411.487	5.173	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)cc3OC(F)F)n2)cc1	429722465	IOAFAVSCQNYRII-HNNXBMFYSA-N	418.396	5.049	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)n1	430518164	CIZKZPYZKAAZKF-LLVKDONJSA-N	420.321	6.027	30	20	HKED	
CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H](C)c1cc2ccccc2o1	432474516	DMUFPQITWLNISX-QGZVFWFLSA-N	403.482	5.023	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1	433022120	IUFITDWDFNALOJ-DQEYMECFSA-N	419.569	5.164	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)[C@@H](C#N)CCc3ccccc3)C2)nc2ccccc21	433343145	MDPPVQWUGAYWQB-YADHBBJMSA-N	414.553	5.096	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1cc(OC)c(OC)cc1SC)c1ccccc1	435100647	IMYODJXHNPJXRN-LJQANCHMSA-N	414.571	5.275	30	20	HKED	
CCC(C)(C)OCc1cccc(NCc2cn(CCC#N)nc2-c2ccncc2)c1C	435127770	AELAXHZFMHQGCR-UHFFFAOYSA-N	417.557	5.485	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1OC2	436351279	CQTPTALGFJAPSD-UXHICEINSA-N	400.503	5.219	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)oc1C	437851410	SBUIXYQOMXHSDF-YADHBBJMSA-N	400.482	5.262	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cc(Cl)cc(Cl)c2C1	438644752	WUYRGYYIJPOHAJ-CYBMUJFWSA-N	420.365	5.978	30	20	HKED	
CN(CCOc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438646925	FTYRVHDIJIKYKY-UHFFFAOYSA-N	405.429	5.032	30	20	HKED	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(OCc2ccccc2C#N)cc1	460232739	UJZVYSACWIAQDI-LJQANCHMSA-N	411.505	5.012	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)c1ccc(Br)s1	463748265	JUSDILGTDXHNFY-NWDGAFQWSA-N	409.374	5.647	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)c1	464039947	CQQNEVNZPGMELL-OAQYLSRUSA-N	412.436	5.125	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCOC[C@H]2c2ccccc2)c1	464708386	RPHSZOSDALQGFV-QFIPXVFZSA-N	418.880	5.218	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	464943513	ZSYDHOBKQIONNX-NHCUHLMSSA-N	419.525	5.093	30	20	HKED	
C[C@@H](NC(=O)NCc1ccccc1COc1ccccc1Cl)c1ccc(C#N)cc1	465656489	FEPPJFGMPDRZJS-QGZVFWFLSA-N	419.912	5.351	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	466681855	HAOBJJZZRWQYRH-QGZVFWFLSA-N	412.917	5.283	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1	466701759	FYISGTCQRAEUFB-LLVKDONJSA-N	423.913	5.726	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	467721745	HBEUIDSDLWMZCT-LLVKDONJSA-N	422.354	5.325	30	20	HKED	
CC(C)(NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	467723144	NQPARILYCHIUGV-UHFFFAOYSA-N	422.354	5.109	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCCc3nc4ccccc4s3)cc2)cc1	470777821	BKZBLSPYLBTNNC-UHFFFAOYSA-N	413.502	5.127	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccccc3OCc3cccc(Cl)c3)o2)c1	471659193	PNBNDSVXDUSNAD-UHFFFAOYSA-N	416.868	5.453	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c(C)c1	471921883	KHWZROQZJOETRJ-ICSRJNTNSA-N	422.598	5.316	30	20	HKED	
C=C(C)[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)c(F)c1	476843805	JYUCGLPLUSWBFH-BVYCBKJFSA-N	400.469	5.049	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1	478059810	HCKRQAJEJHRGPY-UHFFFAOYSA-N	409.514	5.321	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccco1)c1ccc(C#N)cc1	481343011	SPPCYFKJEDKQJB-OAHLLOKOSA-N	404.470	5.450	30	20	HKED	
C=C(C)[C@H](NCc1csc(CC(=O)Nc2ccccc2)n1)c1ccc(F)c(F)c1	481628544	OLWFQBVRXSOLEP-QFIPXVFZSA-N	413.493	5.010	30	20	HKED	
CC(C)c1c(NC(=O)c2ccc(C3(C#N)CC3)cc2)cnn1-c1ccc(Cl)cc1	482745985	PVZRHVAJYWJAPX-UHFFFAOYSA-N	404.901	5.457	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1Br	486306546	YJMGJISSSPTUEJ-UHFFFAOYSA-N	416.275	5.144	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSc1nc(C(F)(F)F)ccc1C#N	488823993	XBOGOBGSBAGJNI-GFCCVEGCSA-N	419.428	5.030	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@H]1c1nc(C)no1)c1ccc(C(F)(F)F)cc1	500096091	FUOMMXWZTAFQIX-MSOLQXFVSA-N	422.451	5.341	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)c(C#N)c3)s2)c(F)c1	500543813	GAVAFZXBAFPZBI-UHFFFAOYSA-N	401.850	5.044	30	20	HKED	
CCOc1cc(CNC(=O)c2ccccc2-c2ccccc2C#N)ccc1OC(F)F	502318402	OSSLDTSOFCMVIS-UHFFFAOYSA-N	422.431	5.155	30	20	HKED	
Cn1c(SC[C@H](C#N)CCC#N)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2	508484772	BGAHWJRNVGELJW-HOCLYGCPSA-N	413.616	5.230	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)cc1OC	509605774	QXQNSTUOSQOTKD-HNNXBMFYSA-N	400.906	5.232	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2C2CCCCC2)cc1	511367005	XJYQEYAZMIXVAB-RUZDIDTESA-N	417.553	5.908	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(-c4ccccc4)noc3C)n2)cc1	512508148	FPLAQSJWGJSKJE-GOSISDBHSA-N	415.474	5.272	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1C	513403256	ROBBAWHALHFLGX-CQSZACIVSA-N	408.951	5.186	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2c(F)cccc2Cl)cc1	516842879	CLLGMHCHCUVSCJ-UHFFFAOYSA-N	410.901	5.573	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC=C(c3ccncc3)C2)c1	517191613	VJRDYELXFFQGQG-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N	518049042	JKLCKCDPJGAEFY-HIFRSBDPSA-N	424.957	5.321	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC(F)F	518753648	WYIICKDUXYHGAX-ZDUSSCGKSA-N	421.469	5.013	30	20	HKED	
CCCc1nc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1	520819324	VTYVQOFDNCVXHQ-AWEZNQCLSA-N	405.614	5.362	30	20	HKED	
CC1CCC(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1	520833485	CACJNUPMJBMARJ-BBBYJDLNSA-N	413.509	5.206	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2	520954524	LCKODFKUGMVUHS-HZGBGQKMSA-N	415.924	5.607	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	522071646	ZIMWYCGUQYBMRQ-KRWDZBQOSA-N	423.438	5.725	30	20	HKED	
N#CC1(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCOCC1	523719098	XNCHLGPTRFTDED-UHFFFAOYSA-N	421.349	5.088	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1	525557403	MDEHHGQTACGCHZ-UHFFFAOYSA-N	416.525	5.248	30	20	HKED	
C=CCCC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1	540553863	OVIKZZKTBLIYDC-KRWDZBQOSA-N	416.543	5.139	30	20	HKED	
N#CCC1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1	541053257	MBLPYFIEMHDGDU-UHFFFAOYSA-N	424.953	6.144	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	541276781	UWSWHFJWYUPKPA-UHFFFAOYSA-N	401.470	5.008	30	20	HKED	
C[C@H](NC(=O)N1CCO[C@@H](c2ccsc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	542091351	ZKHFOKYURHFSPG-GAJHUEQPSA-N	417.534	5.131	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543943077	CROSSQCCNQRIJS-MRXNPFEDSA-N	404.539	5.286	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	546790919	ADTSEDXOAIEAGT-QGZVFWFLSA-N	424.566	5.717	30	20	HKED	
C[C@@H](NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1	547451059	YRCCNNDZMOEIMN-AUUYWEPGSA-N	419.472	5.138	30	20	HKED	
Cc1nc2cc(C(=O)Nc3cc(C#N)c4ccccc4n3)ccc2n1Cc1ccsc1	554775479	JKYFYEKXGJOLSL-UHFFFAOYSA-N	423.501	5.127	30	20	HKED	
C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H](C)c1ccccc1C(F)(F)F	556956243	XYQODUZPEHFGNJ-KGLIPLIRSA-N	404.407	5.056	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)c1	556966469	OKUOITKSHISOAA-IBGZPJMESA-N	424.863	5.158	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	559675851	BHPWVHBNQOJOPX-QGZVFWFLSA-N	419.506	5.262	30	20	HKED	
N#CCc1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	577677762	VYTGPAVZBRYTKX-UHFFFAOYSA-N	401.413	5.076	30	20	HKED	
CN(C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	582324837	KNHSYXREBICAEJ-RBZYPMLTSA-N	418.328	5.331	30	20	HKED	
CCc1nc(C(C)C)ccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	590153683	RFRKKAUGLMFTDI-UHFFFAOYSA-N	400.482	5.387	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	603660354	QFLVVGKSYRRPPA-ZDUSSCGKSA-N	417.387	5.470	30	20	HKED	
CCSc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603758795	IQSMHIQPAIZRBH-FQEVSTJZSA-N	406.938	6.360	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	603968974	QKTYOXQVWJSIRD-UHFFFAOYSA-N	415.543	5.895	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1	608553185	XYDAHLWWYUGOOO-KRWDZBQOSA-N	423.513	5.044	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1occc1COc1cccc(C#N)c1	608810851	UPCIKQFMYYCULS-UHFFFAOYSA-N	414.383	5.021	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1	608916235	RHWTWDSMHAATDZ-IBGZPJMESA-N	418.541	5.015	30	20	HKED	
CCCc1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1	609105204	VNLZNMPKVMIOIZ-UHFFFAOYSA-N	409.486	5.246	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(c2ccc(C(C)C)cc2)CCCC1	609375673	KQVHJCOHCUTVJY-UHFFFAOYSA-N	420.601	5.098	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1cccc(Br)c1	609386963	ATGFRUQPNAWBKI-KGLIPLIRSA-N	418.360	5.140	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2)cc1	609500763	VQRQMCGQTVKXGB-JOCHJYFZSA-N	400.503	5.512	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609513972	LHHMHLMYNBUWTM-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCc3ccccc3CC2)c1	609724594	BCIYNQALNYVDMM-UHFFFAOYSA-N	402.881	5.245	30	20	HKED	
CCN(CC)CCC[C@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609730005	JDOMMGKPNYTHID-KRWDZBQOSA-N	413.949	5.244	30	20	HKED	
C[C@H](SCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccc(C#N)cc1	609825878	YOPIXVIGDLUPIO-NSHDSACASA-N	423.851	5.201	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(Oc4nccs4)c3)cc2)cc1	609906755	MMZQAIBSJRFVJF-UHFFFAOYSA-N	413.458	5.852	30	20	HKED	
C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1	609994827	YYWOSUJICHVRAD-IFMALSPDSA-N	416.569	5.028	30	20	HKED	
COc1ccc(SCCC(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1OC	610116859	WXNZCTGADLNQFB-UHFFFAOYSA-N	424.547	5.425	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)ccc1OC1CCCC1	610347982	FFLIDUDMULFZDK-SJORKVTESA-N	407.514	5.010	30	20	HKED	
CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc(C#N)cc1Cl	610877273	RBBICELVBMIFIM-UHFFFAOYSA-N	412.852	5.102	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)s1	611359705	HUCJTCLUEZEVQI-UHFFFAOYSA-N	401.582	5.592	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c(Cl)c1	611477395	GCGVSQSTJZTNSA-UHFFFAOYSA-N	424.259	5.443	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1C	613290277	AUMWFRLKEQYDFV-HSZRJFAPSA-N	404.469	5.573	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1C(F)(F)F	613292283	FLISHRWHHUMRKI-INIZCTEOSA-N	420.394	5.238	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc2ccccc2n1	613292543	OESJYAPPBJGPJL-IBGZPJMESA-N	404.429	5.171	30	20	HKED	
Cc1cc(Br)c(F)cc1NC(=O)c1c(Cl)cc(C#N)cc1Cl	613818114	UVZCLJCQTJXGDT-UHFFFAOYSA-N	402.050	5.327	30	20	HKED	
CC(C)(C)c1ccc([C@@H](NC(=O)N(CCC#N)Cc2ccco2)C(F)(F)F)cc1	614240075	FPJSOWXZGPUTSO-GOSISDBHSA-N	407.436	5.306	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1nc2ccccc2o1	614439862	QDKGPESYFGHHSR-SFHVURJKSA-N	406.363	6.004	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1Sc1ccccc1	616846952	ATZUMISFDYSTLY-UHFFFAOYSA-N	408.548	5.053	30	20	HKED	
C[C@@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	676873197	WNSZRGOGJGOVOY-MEWQQHAOSA-N	417.340	5.484	30	20	HKED	
CCSc1cccc(F)c1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	685699635	KUIBNODLPLWLMG-NXEZZACHSA-N	418.378	5.532	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1c(Cl)cccc1Cl	726322220	HWCQEOFMBOTOMS-MNOVXSKESA-N	408.235	5.718	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)c1	727981020	ZNBZVNPJCTXAAV-UHFFFAOYSA-N	418.909	5.471	30	20	HKED	
O=C(O)C(=O)/C(=C/c1ccc(-c2ccc(F)cc2)s1)c1ccc2ccccc2n1	728156203	DFPKHWFNPPBFIV-QGOAFFKASA-N	403.434	5.297	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)n1	730072764	XUEOJBBAUDAGSG-HNAYVOBHSA-N	400.475	5.440	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1ccc(C#N)cc1	730149187	UQKRBUGQAQFKLZ-ZHACJKMWSA-N	409.308	5.649	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)C2(c3ccc(C(C)C)cc3)CCCC2)n1	731139484	SVRGBHRUEMYNPO-SFHVURJKSA-N	410.539	5.131	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cnc1Cl	731332657	PIVNVANJCSPCQL-SNVBAGLBSA-N	410.724	5.144	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1	732766854	ZKJUDBCYTXAXJG-MAUKXSAKSA-N	410.543	5.176	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCCSc2ccc(Cl)cc2)c1	733775007	NIGXKHQIBRXICC-GOSISDBHSA-N	402.947	5.210	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)ccc1Oc1cccnc1	734234965	GZBFBXXCNLDBQE-WMZJFQQLSA-N	414.505	5.040	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccncc1	734235598	JYALALFCGWKRGD-IBGZPJMESA-N	418.884	5.228	30	20	HKED	
C=CC[C@@H](NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1)c1ccncc1	734455780	LJEUZKITEGIPNB-HXUWFJFHSA-N	419.594	6.008	30	20	HKED	
CC1CCC(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)CC1	734644715	TWGFDXYRHFGSHO-VZTJNBFISA-N	416.569	5.070	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	739142255	IFXRITQWYWYIMR-ACJLOTCBSA-N	412.411	5.266	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ncc(-c2ccccc2)o1	740435968	YNFKIVBKKVMIQJ-FDDCHVKYSA-N	422.488	5.880	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1c(Cl)nc2sccn12	741842760	BQNIOXPJNBRCTP-ALCCZGGFSA-N	415.883	5.582	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)n1	747196001	DKHHFSWRPATNDO-HNNXBMFYSA-N	414.918	5.169	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c2c1C	747196038	GDXMKRJXWHKRMS-CYBMUJFWSA-N	416.597	5.247	30	20	HKED	
CC(=O)N(c1nc(/C=C2/CCc3ccc(C)cc3C2=O)cs1)c1ccc(F)cc1F	753900106	ISOFFZOHWJEAMO-YBEGLDIGSA-N	424.472	5.627	30	20	HKED	
Cc1cccc(OCc2nnc(SCC#Cc3ccc(C(F)(F)F)cc3)o2)c1	754268022	BHNIWRPQXCDFRV-UHFFFAOYSA-N	404.413	5.120	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1	755264502	XOZWZLUDMMWLQT-UHFFFAOYSA-N	415.493	5.612	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2COc3c(Cl)cccc32)cc1	757812284	CMRXJLVYTNJELN-PZJWPPBQSA-N	403.869	5.251	30	20	HKED	
COc1ccccc1COc1cccc(NC(=S)Nc2ccccc2C#N)c1C	758257191	NDYZLMHOPVSBOL-UHFFFAOYSA-N	403.507	5.263	30	20	HKED	
O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc(N2CCOCC2)cc1Cl	768842524	UAIDFHMZNXZEGA-RJRFIUFISA-N	416.955	5.258	30	20	HKED	
CCCCN(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1	770098714	GZRXUEOLJQXAOA-JOCHJYFZSA-N	405.542	5.009	30	20	HKED	
COc1ccc(CN[C@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc1C#N	773084603	UQCZHTAXVRKILN-CYBMUJFWSA-N	415.324	5.219	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl	775492562	BXVMKCVEGJBINF-UHFFFAOYSA-N	404.879	5.185	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccncc1	776148362	CNUCPCUCYLAZQT-MOPGFXCFSA-N	418.310	5.051	30	20	HKED	
CN(C(=S)Nc1ccccc1C#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	776266679	HBAJORNYWMJJCW-PKOBYXMFSA-N	403.473	5.542	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2ccc(OC)cc2)ccc1OC	779102238	SLLORFSELGYTFC-NVQXNPDNSA-N	416.521	5.264	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2cc(C)sc2C)cc1	783355423	LYPKUUQLZSRVFK-VLIAUNLRSA-N	410.539	5.189	30	20	HKED	
N#Cc1cccc([C@@H](NCc2csc(CCc3ccccc3)n2)C(F)(F)F)c1	783671886	NUMJJKDVFUCXLQ-HXUWFJFHSA-N	401.457	5.193	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1ccc(Cl)nc1C(F)(F)F	786746137	CPJWNOYVJZFQJW-UHFFFAOYSA-N	422.838	5.166	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccc(C)cc2C)s1)c1ccccc1	787042260	VOPUWROWRAIYSG-UXHICEINSA-N	417.534	5.017	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)cc1	791202427	UKEDBUYJRCSIRD-TZIWHRDSSA-N	415.320	5.315	30	20	HKED	
COC(=O)c1c(F)cccc1NN=Cc1c(C(C)C)nn(-c2ccccc2)c1Cl	800818697	LEZSKQCGCYAFFS-UHFFFAOYSA-N	414.868	5.021	30	20	HKED	
N#CCn1c(CS[C@H](c2ccccc2)c2ccc(F)cc2)nc2ccccc2c1=O	801661494	QECJZHHJYBEIKX-HSZRJFAPSA-N	415.493	5.082	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2ccc(Oc3ccccc3F)c(F)c2)no1	809421509	OFCKBCTYYBINDD-UHFFFAOYSA-N	405.360	5.376	30	20	HKED	
CO[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	815911492	CWYCKACXTHTVDT-NJZAAPMLSA-N	409.338	5.498	30	20	HKED	
FC(F)(F)C(F)(c1ccc(-c2nc(COc3ccccc3)no2)cc1)C(F)(F)F	904302788	KMJWRQLRYDRHLD-UHFFFAOYSA-N	420.284	5.605	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1ccc(Cl)cc1	916900505	PPRYEOPLMIYUHF-KUHUBIRLSA-N	414.958	5.293	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1	917046743	MMLKANVLGKGZBH-QGZVFWFLSA-N	408.935	6.071	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	917143989	URFBGGYRJGYLTC-KHPPLWFESA-N	413.458	5.676	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C(/C(=O)c2nc3ccccc3s2)c2ccccc2)cc1	918156346	NQTMVBGSBVOROO-XDJHFCHBSA-N	419.527	5.123	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc2nc(O)oc2c1	1658626613	RRSAWOAYAOIUFD-CQSZACIVSA-N	414.421	5.080	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1	1789019762	VZRNIWIOIUPIPK-KRWDZBQOSA-N	415.537	5.436	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1	1791247903	LWNAOZXUUAFYAM-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1	1792377260	ARSHVRWVGJDTIP-MWTRTKDXSA-N	402.485	5.078	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2CC)cc1	22732061	BSFBDNPFLXWOMM-UHFFFAOYSA-O	409.600	5.520	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cc(C)cc(C)c2)o1	26497937	VDHGUXNYJMZHPN-INIZCTEOSA-N	413.568	5.110	30	20	HKED	
CC(C)[C@@H](NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	61020288	IWBYHUQFISZBQO-AREMUKBSSA-N	413.521	5.063	30	20	HKED	
N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1Cl	63451890	WVJMASUTHKHUAC-UHFFFAOYSA-N	420.881	5.292	30	20	HKED	
Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	65680244	BZFPPMWMOXQOFL-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](C)c1ccccc1F	97542491	DCJVWJNDBFDHDX-KRWDZBQOSA-N	402.469	5.717	30	20	HKED	
Cc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)sc2ccc(C#N)cc12	428120171	KEQDXPWIBNBCER-UHFFFAOYSA-N	417.515	5.648	30	20	HKED	
C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1	429173397	NHARFXBFNNUXRD-VFNWGFHPSA-N	419.916	5.807	30	20	HKED	
Cc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(OC[C@@H]2CCCO2)c1	432760410	UEYZDFIJPOCLGR-SFTDATJTSA-N	407.514	5.110	30	20	HKED	
CC(C)c1nnc(SCC#Cc2ccc(OC(F)(F)F)cc2)n1Cc1ccco1	433374756	WCAZTOUARRMLTQ-UHFFFAOYSA-N	421.444	5.085	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C)cs1	437845105	UMGCEEISJKDNQW-QFIPXVFZSA-N	406.511	5.562	30	20	HKED	
C=C[C@](C)(CCOC)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C	438444633	AGAPVUIOGWEGBO-JOCHJYFZSA-N	400.906	5.068	30	20	HKED	
CC(C)N(Cc1cccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438647624	HTAUVSCNEOZRMQ-UHFFFAOYSA-N	409.486	5.994	30	20	HKED	
C[C@H](Nc1ccc2nc(C3CC3)sc2c1)C(=O)N(CCC#N)c1ccc(F)cc1	439575352	VTIBTBBZWPLFDJ-AWEZNQCLSA-N	408.502	5.060	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(CCC(F)(F)F)cc1	440366348	LZBAWMIKHNEGRA-CQSZACIVSA-N	407.461	6.220	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1CCC(C)C	440772805	CMBIPEHMNFTTEV-UHFFFAOYSA-N	420.488	5.080	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cnn1CCC(C)C	441564278	ILENPAHJRPHMBN-UHFFFAOYSA-N	402.498	5.348	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccc(C(F)(F)F)cc1	442282728	IZPIXSBKPITDIZ-LSTHTHJFSA-N	420.479	5.202	30	20	HKED	
Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c(OCC(F)(F)F)c1	446933426	MNDZIVZLVGMQQY-UHFFFAOYSA-N	405.420	5.059	30	20	HKED	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	460202515	AWLUDRWZUWVQGO-LJQANCHMSA-N	411.505	5.420	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC3(CCOCC3)C2)c1	461010578	ZNBMKHJZPQIGQI-UHFFFAOYSA-N	410.901	5.037	30	20	HKED	
C[C@@H]1c2ccccc2CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1	461497670	QBFCBIWMGDGHOL-QGZVFWFLSA-N	411.534	5.050	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)o1	465118631	JMGNZRZZUBYVQB-UHFFFAOYSA-N	414.383	5.477	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCC[C@H]1c1cccc2ccccc12	466596941	FTQGSNNSFQUMEG-NRFANRHFSA-N	400.482	5.286	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1	470205950	HKJFNQNIRHNCDS-UHFFFAOYSA-N	414.252	5.015	30	20	HKED	
COc1cccc2c1CC[C@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1	470715473	ZZGYVUPIVTURSV-JOCHJYFZSA-N	414.530	5.276	30	20	HKED	
Cc1cc(C)nc(Sc2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2)n1	474421646	OBHBDTRDWDDMIL-LJQANCHMSA-N	402.523	5.271	30	20	HKED	
CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C(C)(C)C#N)cc1	474693380	WNNQIQBJARLJPF-UHFFFAOYSA-N	403.295	5.052	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)C1CCCCC1	475108006	GQGRSKMENKSZRJ-NRFANRHFSA-N	403.526	5.117	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1	475554249	XJYTUEASCVNUNY-UHFFFAOYSA-N	424.972	6.319	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc2c(cc1OC(F)F)OCO2	475554879	OPXFLGXPFVVQMW-UHFFFAOYSA-N	418.440	5.190	30	20	HKED	
C=C(C)[C@H](NC(=O)CCCCC(=O)c1ccc(OC)cc1)c1ccc(F)c(F)c1	475679964	AZHGFGMONHXIBN-QHCPKHFHSA-N	401.453	5.150	30	20	HKED	
N#CC1(F)CCN(C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1	478072338	MRBVSRZFJJDSOE-UHFFFAOYSA-N	414.893	5.476	30	20	HKED	
Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc1NC(=O)c1ccccc1F	479578450	XHRLMVFEGHLEMI-UHFFFAOYSA-N	421.859	5.188	30	20	HKED	
CCc1c(NCc2ccc(OC)c(OCCCC#N)c2)cnn1-c1ccccc1C	480476149	OJIZNFXGEHEKLA-UHFFFAOYSA-N	404.514	5.046	30	20	HKED	
Cc1ccc([C@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1	480831863	WRUHTXVTZZASJS-JOCHJYFZSA-N	417.465	5.166	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccco1)c1ccc(C#N)cc1	481390467	DBBWKSDLYSIJMH-HNNXBMFYSA-N	404.470	5.450	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C#N)s2)cc1	486809493	NWIFVWVSTNTRCY-UHFFFAOYSA-N	403.507	5.422	30	20	HKED	
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	487268858	ZCQIGCPCXPPYPM-BFUOFWGJSA-N	416.399	5.313	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	487367196	BIHOGZWAZZJFQH-JOCHJYFZSA-N	405.542	5.155	30	20	HKED	
COc1cccc(C(=O)c2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)c1	487512480	HYRDTMMQPVOCQF-DEOSSOPVSA-N	412.489	5.091	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1	487809391	PGXUBEJZFIFVIQ-UHFFFAOYSA-N	419.403	5.026	30	20	HKED	
Cc1nc(C(F)(F)F)c(C[S@@](=O)Cc2cc(F)c(C(F)(F)F)cc2F)s1	488776158	XUVJWJWOCJAFEK-SANMLTNESA-N	423.350	5.216	30	20	HKED	
C=CCn1c(SCc2cc(C#N)ccc2Br)nnc1-c1ccccc1	491558598	GMHVXHFTXRFHDB-UHFFFAOYSA-N	411.328	5.058	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	494379740	XTLUKEAJOZVQHP-UHFFFAOYSA-N	409.477	5.160	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC	495207610	XNUMNVRMWDPSIF-UHFFFAOYSA-N	424.595	5.282	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	502235797	SLLVAAJFKYHTLI-OAQYLSRUSA-N	418.884	5.598	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1-c1ccccc1	503242392	MZNHGQVEJVNAHH-UHFFFAOYSA-N	418.806	5.388	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)s1	505034856	HYVAFZQVXAPEDO-INIZCTEOSA-N	405.361	5.998	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	505174996	PEVFVLNDYWCCOG-UHFFFAOYSA-N	420.488	5.308	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)nc2ccccc21	507017102	HNTAZOFOBGTUQQ-IBGZPJMESA-N	401.853	5.509	30	20	HKED	
O=C(CC1(C(F)(F)F)CC1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	507153241	FIRNOGLHBIMAQL-NSHDSACASA-N	407.276	5.548	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nnc1N1CCC(c2c[nH]c3ccccc23)CC1	508887035	GQYIBZWHHRYZIE-UHFFFAOYSA-N	413.525	5.005	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1	512542545	QPUALQOTMCFHLW-QGZVFWFLSA-N	413.953	5.231	30	20	HKED	
COc1cccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2F)c2cc(F)ccc2OC)c1	512668779	WOTCJONCMSVMEN-IZHWHUGBSA-N	408.448	5.294	30	20	HKED	
C[C@@H](OCCCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1	514028760	JMKUPKAIFXZHCE-HXUWFJFHSA-N	414.505	5.035	30	20	HKED	
CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	514223820	TXIWNJDZTAIYAI-WMLDXEAASA-N	414.493	5.491	30	20	HKED	
CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCCc2ccccc21	515218369	RSXUGJCTXSAGRZ-NRFANRHFSA-N	402.523	5.147	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	517301081	CBGZNWJAIIPELT-QFIPXVFZSA-N	424.472	5.707	30	20	HKED	
CC1CCC(OC2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)CC1	518111905	BMAQQMKAVOJJGC-UHFFFAOYSA-N	418.537	5.550	30	20	HKED	
C[C@H]1CCCN(c2ccccc2OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	518338686	ONBGSKFEFGOKGB-OALUTQOASA-N	423.582	5.335	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1	519452282	WYXQJBSJFVRRBW-CQSZACIVSA-N	405.470	5.204	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OC	520200325	MAPCUGKBRFXYIB-IBGZPJMESA-N	423.557	5.284	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1SC	520939045	KMPSZIUFBLHZIZ-HNNXBMFYSA-N	415.584	5.475	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1	521599850	VIEPREPWIWYJQT-UHFFFAOYSA-N	415.424	5.017	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2	523323672	GXLYEUSMHILFCS-PFONDFGASA-N	419.887	5.500	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	523619396	ZUVZWSRHWIXRDE-UHFFFAOYSA-N	423.900	5.201	30	20	HKED	
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523621211	NAAINAQGUQVURC-CJAUYULYSA-N	411.505	5.387	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc(C4CC4)o3)n2)o1	524330205	IHTVXCBSXXRPIY-UHFFFAOYSA-N	406.389	5.093	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1ccccc1F	524439793	JCXZUOCIEZVINL-GOSISDBHSA-N	417.484	5.810	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc2F)c1	524457340	DCZBPCXASSXDMW-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@H](C)Oc2ccccc2C#N)cc1	525018702	IKDVVMTZTGKGDI-OALUTQOASA-N	414.505	5.221	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1	525156870	YIPQMWAFZRAYTR-UHFFFAOYSA-N	418.925	5.073	30	20	HKED	
COc1ccc(SCCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	525337928	MDOWDKPYGBIAKT-HNNXBMFYSA-N	416.568	5.219	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	526937384	CMEQRYDEFCPQPZ-UHFFFAOYSA-N	409.555	5.055	30	20	HKED	
C[C@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1	530436267	HLVYHHYZQLKRMQ-AOMKIAJQSA-N	406.327	5.350	30	20	HKED	
C=CCN(C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)c1nc2c(s1)CCCC2	531497449	HMDNOYJFKPXZEL-QGZVFWFLSA-N	419.550	5.390	30	20	HKED	
CCO[C@H](C)c1nc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1	533030809	KZARDJOOYSRCFQ-QGZVFWFLSA-N	409.530	5.454	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1ccc(F)c(C#N)c1	539957735	ZYTSSXONNJUSSZ-GZTJUZNOSA-N	413.477	5.389	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)s2)c2ccccc2)cc1Br	540600223	JQRDCVZCZUHPRQ-FQEVSTJZSA-N	413.340	5.270	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(C)cs3)c3cnn(C(C)C)c3n2)cc1	540744017	DDLKRHOIDYITQT-SFHVURJKSA-N	415.522	5.243	30	20	HKED	
COc1ccc2[nH]cc(CC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2c1	543918202	XMFMDUQEBJLVJH-KRWDZBQOSA-N	409.489	5.135	30	20	HKED	
Cc1ccc(C2CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC2)cn1	543973008	UUDOWKZSJHGHEG-UHFFFAOYSA-N	410.521	5.018	30	20	HKED	
C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccc(Cl)cc1Cl	550813956	YGBZWGAGQPEPLM-SNVBAGLBSA-N	424.353	5.040	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCC(OC(F)F)CC1	552143351	PGSRSDMBLSIBFJ-ZPPKWKGLSA-N	419.312	5.223	30	20	HKED	
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCOCc1ccc(C#N)cc1	564753274	FAOCZZJQCULLHH-FQEVSTJZSA-N	413.521	5.020	30	20	HKED	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	575960123	ZDWFIHQNQIFCMJ-QHCPKHFHSA-N	400.482	5.607	30	20	HKED	
CC(C)(NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	581390861	HULBHQPTPXRQGD-UHFFFAOYSA-N	423.866	5.130	30	20	HKED	
C=CCCOCC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	588626700	KPWWYQMDKLSEOK-UHFFFAOYSA-N	412.873	5.105	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Oc1ccc(F)cc1	603533176	ROINQLCWEPLHMZ-KRWDZBQOSA-N	406.432	5.146	30	20	HKED	
CC1CCN([C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)CC1	603658272	XQDFYHANKKIVQC-FQEVSTJZSA-N	410.587	5.144	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)sc2ccc(F)cc12	604302707	SSMFDIDKMKXHQB-UHFFFAOYSA-N	403.438	5.660	30	20	HKED	
C[C@@H]1CCC[C@](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)(N(C)C)C1	604438157	JHFGRNJWBHOIJC-CLOONOSVSA-N	421.610	5.091	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1	604488425	OLNGFZZBCVORBA-UHFFFAOYSA-N	424.476	5.104	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C#Cc3cccs3)c2)s1	608273169	IQYHDFYXLKYFGY-MRXNPFEDSA-N	409.580	5.700	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)COc1ccc(C#N)cc1	609062191	FACYXACTCWDEGI-UHFFFAOYSA-N	406.869	5.117	30	20	HKED	
COc1ccc(NC(=O)c2sccc2C#N)cc1OCc1ccc2ccccc2n1	609066729	UQLFIAXGZWTDKX-UHFFFAOYSA-N	415.474	5.008	30	20	HKED	
COCCCOc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609298145	JOSFIKSPJXEIRS-UHFFFAOYSA-N	420.440	5.157	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1-c1ccccc1	609434815	SQTDYWJIDFJHDG-IBGZPJMESA-N	415.562	6.412	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(O)CCC(C(C)(C)C)CC1	609555649	YRCZBYZWPGUMPT-YPHUNTSASA-N	403.592	5.027	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccccc2)on1	609900588	KFBYNPAUQAHDOP-MRXNPFEDSA-N	423.563	5.608	30	20	HKED	
N#Cc1csc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1	611271575	ZOSLEDQQLSKZFF-HSZRJFAPSA-N	422.598	5.308	30	20	HKED	
CCc1nnc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)s1	612021696	RYTRWHMYORPTQL-UHFFFAOYSA-N	410.446	5.247	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2ccccc2o1	642281608	UVWPRMLFCAXHNY-INIZCTEOSA-N	423.350	5.524	30	20	HKED	
O=C(CCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	680968694	ALRLABLJHXESEG-BETUJISGSA-N	421.303	5.227	30	20	HKED	
CCCOc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OCCC	726439345	UHGFUCJCDSWBLS-UHFFFAOYSA-N	403.935	5.598	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(/C(=O)c2nc3ccccc3s2)c2ccccc2)cc1	728700726	UXUVSKUAKDLXQX-LBSLPOPVSA-N	410.498	6.011	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccccn1	730395176	CNZNLPMJEGTKCZ-HRAATJIYSA-N	413.329	6.098	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)cc1	733636931	ZEBFBHNDMWWRMT-UHFFFAOYSA-N	417.469	5.134	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1	741059756	WLHPKFPHUBWKOY-JQVVWYNYSA-N	419.887	5.812	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	742566570	ZTTTWLOBQQWCOC-UHFFFAOYSA-N	410.514	5.179	30	20	HKED	
N#Cc1ccc(CN(Cc2cc(Cl)nc(Cl)c2)c2ccc3nc(O)[nH]c3c2)cc1	744405855	CZXZTXNABODVRO-UHFFFAOYSA-N	424.291	5.049	30	20	HKED	
Cc1ccc(CN(C(=O)NCc2cc(C#N)ccc2F)[C@@H]2CCc3ccccc32)cc1	745890775	AGXIWAXBFOHQIV-RUZDIDTESA-N	413.496	5.405	30	20	HKED	
O=c1c2ccccc2ncn1N=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1	745987004	VGEOALBWASVRTP-UHFFFAOYSA-N	409.367	5.090	30	20	HKED	
CCCOc1ccc(CC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1OCCC	747200150	CKKYYQMCDKWWLU-KRWDZBQOSA-N	408.523	5.293	30	20	HKED	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCC(O)CC2)cc1	753717284	KOFGUHPXXZPHTL-FPYGCLRLSA-N	409.835	5.216	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)OC(=O)CCCCOc3cccc(C#N)c3)o2)cc1C	758943149	AVPIYQFHSNUUNM-SFHVURJKSA-N	419.481	5.079	30	20	HKED	
Cc1ccc(-c2nc(/C=C\C(=O)c3cc(Br)ncc3F)cs2)cc1	762424692	SRTDDURZWFIXCM-SREVYHEPSA-N	403.276	5.311	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cs1	763289832	NXBCWIGJYQGSFY-CWGWECIMSA-N	414.530	5.836	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)n1	766279342	XPXRWOKXDDQSGM-INIZCTEOSA-N	419.591	5.308	30	20	HKED	
Cc1cc(NC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)nn1CCC#N	767934466	UGEOYRPGKUJPCY-XSFVSMFZSA-N	408.864	5.077	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)ccc1OC	774446874	DYBDXRUDTWVGPL-KNQAVFIVSA-N	420.475	5.882	30	20	HKED	
COc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1OCc1cn2ccccc2n1	777647783	MJEBECNGLLRFBC-MRXNPFEDSA-N	416.456	5.106	30	20	HKED	
CCCCCCCCN(Cc1ccccc1)C(=O)N[C@@H]1CCOC2(CCOCC2)C1	777745435	ZWOTUCUPSCTNHC-HSZRJFAPSA-N	416.606	5.287	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc1C#N	778277481	IWHORSVOPOBGSG-MRXNPFEDSA-N	424.476	5.067	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	780494574	GNNSZBMHNGBDBY-OAHLLOKOSA-N	417.309	5.033	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1F	780522513	NKBMCWKTDXLKNF-HNNXBMFYSA-N	421.428	5.561	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)ccc2C)c1	780585191	XGUSEYALSBTJOJ-KRWDZBQOSA-N	402.454	5.426	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(C(c3ccccc3)c3ccccc3)no2)cc1	782226415	ODVOXWZSJZRPRM-QHCPKHFHSA-N	406.489	5.463	30	20	HKED	
CC(C)c1ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	787054079	RVJAVXLQWRACSB-ACJLOTCBSA-N	403.309	5.317	30	20	HKED	
COCC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(Cl)c(Cl)c1	790612479	ALPLOVVLHBBDHO-OAQYLSRUSA-N	406.357	5.211	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)c1nccc2ccccc12	792107117	UOETWNCRWPUAIB-WZONZLPQSA-N	421.903	5.431	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(F)ccc(Br)c2F)S1	799889895	VCBJVNGTEPTGQC-ZSOIEALJSA-N	423.282	5.236	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCC(O)CC2)cc1)=C/c1ccccc1C(F)(F)F	799891755	CCVMWKLWXKSMQM-QFXDDTPSSA-N	415.455	5.509	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccnc(O)c1	806556746	ZCMCVKAPUAIUCN-SOFGYWHQSA-N	410.267	5.025	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/C[C@@H](C(=O)O)c2ccccc2C1=O	806559996	HPHPNSIVEHRKBZ-DGJFXRHUSA-N	420.896	5.040	30	20	HKED	
N#CCCCOc1cccc(CNc2cc(C(F)(F)F)cc(Br)n2)c1	806671474	QLXDDVYVWXNZLK-UHFFFAOYSA-N	414.225	5.158	30	20	HKED	
CC(C)(C)Sc1ccc(-c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)cn1	809439609	CNTVUNGJSYGZFU-MRXNPFEDSA-N	423.517	5.027	30	20	HKED	
C#C[C@H](NCc1csc(COc2ccc(C)cc2)n1)c1ccc(Cl)cc1F	809698658	FKXGLAXDACODBS-FQEVSTJZSA-N	400.906	5.287	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	811708284	WNRCXXDXZKHYFS-UHFFFAOYSA-N	404.495	5.342	30	20	HKED	
N#C[C@H](C(=O)CCCc1cccc(Br)c1)c1cc(C(F)(F)F)ccn1	813214089	PBKLGWGGHGTJNX-HNNXBMFYSA-N	411.221	5.062	30	20	HKED	
N#C[C@H](C(=O)CCCc1cc(Cl)sc1Cl)c1cc(C(F)(F)F)ccn1	813216874	HDMXENQJBICXBU-NSHDSACASA-N	407.244	5.668	30	20	HKED	
O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1F	814191180	MXWAZTKOJIULDX-BAQGIRSFSA-N	418.833	5.319	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(CC(C)C)c1ccc(C#N)cc1	914510382	HQEMQUVGOJFXCP-UHFFFAOYSA-N	406.917	5.068	30	20	HKED	
CC(C)OCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2ccccc12	915180223	LYTNLDRLPDTDIP-QHCPKHFHSA-N	424.500	6.266	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F	915353302	MSVFTIDSKCYICM-HRAATJIYSA-N	421.447	5.826	30	20	HKED	
Fc1ccccc1-c1nnc(S)n1N=Cc1c(OC(F)F)ccc2ccccc12	916320047	XFBLYYCWFKPLEA-UHFFFAOYSA-N	414.412	5.010	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1cccc(C(C)C)c1	916906683	IUQGKLIJNPNHSA-VGSWGCGISA-N	406.526	5.050	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)ccc2c1	916936526	NOJPBEYCRPBGEN-JFKHNGDKSA-N	422.843	5.002	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc2c(c1)Cc1ccccc1-2	916939793	UDVLVOHGSXHQGK-IBGZPJMESA-N	404.828	5.011	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc3ccccc3c2)cc1	916954297	HLGZIRSHJDDBKS-HXOBKFHXSA-N	400.478	5.080	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	917045938	DDPNWQLMFBOVNQ-RHSMWYFYSA-N	412.942	6.025	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CSc1cccc(C(F)(F)F)c1	920106060	JMWOHKLRGBVLHV-MRXNPFEDSA-N	416.424	5.179	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl	920143530	XIAWIHSJTUKPFL-SFHVURJKSA-N	405.910	5.453	30	20	HKED	
C=C(Br)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	921113315	IWZYKYZYGYKKML-MRXNPFEDSA-N	404.695	5.026	30	20	HKED	
C[C@H](Cc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	921131502	KJNSLOUMRYXAJH-IAQYHMDHSA-N	406.404	5.509	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3sccc3Cl)cc2)CCC1	1789897838	YDPHSGYNPRTINZ-UHFFFAOYSA-N	420.987	5.068	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(OCC)c3)cc2)CCC1	1790342790	BWWWCCBHTNOVRT-UHFFFAOYSA-N	418.537	5.027	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1	1791588997	RMRQRKCCUWLOTN-UHFFFAOYSA-N	408.498	5.364	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3cccs3)CCC2)cc1	1791730285	YAOLTMJRWDRLJI-GOSISDBHSA-N	408.567	5.179	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832367717	OPKUUNKIBFAPBW-AGILITTLSA-N	414.634	5.201	30	20	HKED	
CCCCCCCCCCCc1c(Cl)cc(C(=O)O)c(Cl)c1[N+](C)(C)[O-]	1857776707	GXCKQGYXHVLYRW-UHFFFAOYSA-N	404.378	6.830	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1	10173295	VIGJGKZTOONKAA-UHFFFAOYSA-O	405.543	5.162	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n1	10657825	JKSOKOQFZAIDDR-LBPRGKRZSA-N	404.417	5.492	30	20	HKED	
CCc1cccc(CC)c1NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N	21514515	MXICPWYOOUPCDP-UHFFFAOYSA-N	407.461	5.136	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2cccc(Cl)c2C)c1	22728262	UHXNERDSMVEEIL-UHFFFAOYSA-O	415.991	5.665	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(CC)cc2)cc1	23604191	RAAVQAZEYSBBMU-UHFFFAOYSA-O	420.602	5.485	30	20	HKED	
CCCCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc(C)c1C	26122099	RMXMHPYPVNIWKZ-GOSISDBHSA-N	424.595	5.392	30	20	HKED	
CCN(C(=O)CSCc1coc(-c2ccccc2)n1)[C@@H](C)c1ccc(C#N)cc1	44486287	VWNAGNASXOBEDY-KRWDZBQOSA-N	405.523	5.056	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CCC(C)C)c1ccc(Cl)cc1	46750957	NTQFINJOLWIPNC-QFIPXVFZSA-N	414.981	5.293	30	20	HKED	
COc1cc(C(=O)Nc2cccc(OCCCC#N)c2)cc(Cl)c1OCC(C)C	59770563	XOXIXEDGWJHVSC-UHFFFAOYSA-N	416.905	5.318	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC(F)F	65680174	MZGWANMUIUCLMX-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1cccc(C)c1	96979275	NIHYSAFBIGZDPS-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
C[C@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCCCC#N	102044656	RHAPCQJGTYVZIL-BRSBDYLESA-N	414.550	5.389	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc(OC)c1)C(=O)c1ccccc1	213678206	FHJIETHUKYXFLA-MOHJPFBDSA-N	413.517	5.725	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1	237610787	MASWQIXLZXYKRJ-OAQYLSRUSA-N	422.532	5.179	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccccc1Cl	303382221	MUDUUEBRCQYBRX-HZPDHXFCSA-N	401.963	5.223	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1	303683172	ZIQKGRZPNNMDOM-KBPBESRZSA-N	421.312	5.528	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ncon3)cc2)cc1Cl	409790682	IPVMUFJDXDMUJT-HXUWFJFHSA-N	414.852	5.298	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCn1cc(C#N)c(=O)c2ccccc21	432549916	PAJCIEGOFIPUCC-UHFFFAOYSA-N	421.928	5.070	30	20	HKED	
COc1ccc(Oc2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cn2)cc1	432954835	JVMOGUNKEALIRU-JOCHJYFZSA-N	416.481	5.439	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1cn(CCC#N)nc1-c1ccncc1	435131750	FLXZMQRWAIMXCL-XMMPIXPASA-N	401.558	5.010	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)c1	435137059	JHDYROMYLKEONC-UHFFFAOYSA-N	416.525	5.283	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)sc2c1CCC2	435665335	PRVDCTKWVWPGFK-UHFFFAOYSA-N	418.909	5.353	30	20	HKED	
CCCc1c(NC(=O)N2Cc3ccccc3C[C@@H]2CC)cnn1-c1cccc(C#N)c1	439687001	KQOOKGOZRIUMMP-NRFANRHFSA-N	413.525	5.065	30	20	HKED	
CCCc1c(NC(=O)[C@H](C)CSc2ccccc2)cnn1-c1cccc(C#N)c1	440093378	SCUBKOUAKWYXQO-QGZVFWFLSA-N	404.539	5.063	30	20	HKED	
N#CC1CCC(CNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)CC1	441149904	QWVCEHGBXOXQII-UHFFFAOYSA-N	403.309	5.845	30	20	HKED	
Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)ccc1C1CC1	441784790	DLAMOBYNHPWMMM-UHFFFAOYSA-N	411.461	5.114	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)c(Cl)c1F	444293351	SURDTUHZHIJWTI-ZBFHGGJFSA-N	421.697	5.154	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)CCCC1(C)C	444859751	LQKUVGVVZPWJOS-FQEVSTJZSA-N	413.493	5.578	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1csc(C)n1	460572304	BJKGJPGLZKCVEL-HXUWFJFHSA-N	416.554	5.176	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)c1nc(Cc2ccc(Cl)cc2)no1	463920883	DZKJDIBBROQOPL-CABCVRRESA-N	412.946	5.739	30	20	HKED	
C[C@H]1CCCN(c2cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)ccn2)C1	464179216	AGUVHUTYTGVOAU-BBRMVZONSA-N	410.930	5.071	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(Oc4ccccn4)c3)c2)c1	464895974	QTIUZYDXVXFASQ-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](c1ccc(C)cc1)c1ccccn1)c1ccc(F)c(F)c1	472189465	MIGSKVHMDJTIKP-XZOQPEGZSA-N	407.464	5.374	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)c(-c2nc(C3CC3)no2)c1	472886673	GBEKKCJVRJXRMP-UHFFFAOYSA-N	417.469	5.249	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474264707	HLWVHFSHTJXNAF-MRXNPFEDSA-N	400.322	5.309	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c2C(F)(F)F)c1	474443395	DCXMMDYBTKSLNR-AWEZNQCLSA-N	418.444	5.270	30	20	HKED	
COc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cccc1[N+](=O)[O-]	474900804	OFADAPKMSTVGDG-SFHVURJKSA-N	421.840	5.165	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)cc2F)c1	481748731	ZCQWGKVEAUXXLM-OAQYLSRUSA-N	415.468	5.298	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	482928236	DLXYIQRBQIMMNZ-LJQANCHMSA-N	416.496	5.429	30	20	HKED	
COc1ccc2c(c1)c(C(=O)[C@@H](C#N)c1cnc3ccccc3n1)c(C)n2C1CCCC1	483189089	BHLDKYRMPFINNZ-FQEVSTJZSA-N	424.504	5.507	30	20	HKED	
COc1ccc(Cl)cc1CNC(=O)c1ccccc1Sc1ccccc1C#N	483438590	MMEOTMIDVMQNMX-UHFFFAOYSA-N	408.910	5.301	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1	485767446	PFSQBQOQFGVFAT-UHFFFAOYSA-N	412.536	5.358	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCc3cccs3)s2)c(C(F)(F)F)c1	487418627	PQLOSRVHTDEVAS-UHFFFAOYSA-N	421.469	5.257	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CC1	487979858	JMVWFTHHOUIBDY-UHFFFAOYSA-N	420.538	5.255	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(NC(=O)c2cccnc2)c(OC)c1)c1ccccc1	488686897	PHOBQNJNDCKKKA-OAQYLSRUSA-N	415.493	5.031	30	20	HKED	
C=C[C@@H]1CCCCN1Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1	489465117	RONQQGTWJBJPEG-QGZVFWFLSA-N	409.477	5.387	30	20	HKED	
Cc1ccc(NCc2cc(C#N)ccc2Br)cc1OCC1CCOCC1	492528461	AJTCMSHLJQDXBY-UHFFFAOYSA-N	415.331	5.047	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(CC(F)(F)F)CC2)cc1	501578487	CXMXCOWYYXKYEK-UHFFFAOYSA-N	401.432	5.099	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccc(C#N)c(Cl)c1	503651706	YTVGXKRHZMQRAK-UHFFFAOYSA-N	403.841	5.280	30	20	HKED	
CC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	505342849	LXJJFAOROFLAMF-HNNXBMFYSA-N	407.285	5.081	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	505437739	GVGDCDWMPZRVDT-SFHVURJKSA-N	403.894	5.863	30	20	HKED	
Cc1sc(Br)c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C	507349467	QGGLHGMCICVUDU-JKSUJKDBSA-N	403.345	5.039	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccc(Cl)c(Cl)c2)cc1	508974913	AMFAEVLVDVLZSC-UHFFFAOYSA-N	415.242	5.389	30	20	HKED	
CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	509561654	RYLRSFCPQCPJSP-UHFFFAOYSA-N	409.383	5.081	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1F	510506980	CMHQDAOTDQFGPT-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	510893477	LAPBTIQDPDGNJU-AWEZNQCLSA-N	408.395	5.539	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cc(F)c(Br)cc2F)c1	511136290	OEBSSBXRYBIFRR-UHFFFAOYSA-N	410.218	5.054	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)NCC(C)(C)CCC#N)c1	513119529	ZPJBGXZDMFVGSO-XZOQPEGZSA-N	405.542	5.265	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1	517099102	NODJIUVSNVJGAO-UHFFFAOYSA-N	416.437	5.273	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cc(Br)ccc2o1)c1cccc(Cl)c1Cl	519486353	DMUJJMVCYJGQNY-ZDUSSCGKSA-N	424.081	5.497	30	20	HKED	
N#Cc1ccc(CNc2ccc(C(=O)NCc3ccccc3)cc2)c(C(F)(F)F)c1	519848922	HUYSXIAURUOITD-UHFFFAOYSA-N	409.411	5.119	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)CC(C)C)cc1	520178473	KVAXCAUBPRVJAS-UHFFFAOYSA-N	405.542	5.191	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1	522324059	HIWXNASFKYZMMQ-VWLOTQADSA-N	412.489	5.123	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)n1	524510343	LMRKTKKSIPDPPO-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
N#CCCCOc1cccc(CNc2cc(Cl)ccc2OC[C@H]2CCCO2)c1	533210632	BVFAXNQYZMUMRT-HXUWFJFHSA-N	400.906	5.192	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21	534478112	UJLYAZSRSVMIOD-QZTJIDSGSA-N	419.554	5.127	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1C1CC1	536327402	CJEAIJVIJGYIHZ-MRXNPFEDSA-N	415.497	5.351	30	20	HKED	
CCN(C(=O)c1sc(NC(=O)C(C)(C)C)cc1C)c1ccc(C#N)c(Cl)c1	536972223	GTMBCLWYNFGCAL-UHFFFAOYSA-N	403.935	5.233	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)cc2)CC1	537443102	RFJLDZVJNJISOC-QFIPXVFZSA-N	401.897	5.004	30	20	HKED	
N#Cc1c(NC(=O)CN[C@@H](CC(F)(F)F)c2ccccc2)sc2c1CCCCC2	538174922	MABCDLYFRYUTGX-KRWDZBQOSA-N	421.488	5.110	30	20	HKED	
COc1ccc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(C)nc2c1	538770644	LNRKTAOZKJYYPG-FQEVSTJZSA-N	424.485	5.037	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1F	539288398	HPBKNXDRQXCUDL-KSSFIOAISA-N	403.498	5.038	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)c2)c1	540644684	PLUFWNMBCAPBJA-LOSJGSFVSA-N	420.459	5.035	30	20	HKED	
Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cccc1-c1ncco1	553057103	NHJXXBMAKLRKDH-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1C	554477495	RLRVWQWMWFQUGN-UHFFFAOYSA-N	420.509	5.270	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)s1	556782252	GDFGRBQRAOAMMN-INIZCTEOSA-N	417.412	5.012	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Oc1ccc(NC(=O)c2ccco2)cc1	570115279	OQRPTYBUDRBHAX-UHFFFAOYSA-N	409.323	5.161	30	20	HKED	
CC[C@H](c1ccc(Br)cc1)c1noc(C[C@H](CC#N)c2ccccc2)n1	575367315	SUOFLFXHPZOIFN-PKOBYXMFSA-N	410.315	5.614	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1	603623331	HQSRWVOIPZNTPX-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	609020464	VELPXCXFWHFRDE-UHFFFAOYSA-N	419.550	5.547	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)o2)cc1	609056549	VSSNSNBBEYWIRS-OAQYLSRUSA-N	406.869	5.361	30	20	HKED	
N#CCn1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc2ccccc21	609161690	YFDQDERHWWAAAV-UHFFFAOYSA-N	408.486	5.694	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)NCc3ccc(C#N)cc3F)c(C)c2)c1	609254298	OICWACJGABNDJS-UHFFFAOYSA-N	403.457	5.215	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609263494	UBSDQWIUPVSQJK-QFIPXVFZSA-N	416.477	5.106	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccc2ccccc2c1	609384929	WKJUXTNXORJKCA-GOSISDBHSA-N	403.551	5.162	30	20	HKED	
Cc1ccc([C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccc(F)cc2Cl)cc1	609401349	HQURULSSYCKRBA-HSZRJFAPSA-N	421.903	5.590	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)ccc21	609763768	LKQFCUWFBVBWHO-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
Cc1cc(N[C@H](C)c2cccc(C#N)c2)nc([C@H](C)N[C@H](C)c2cccc(C#N)c2)n1	611932605	WBSNNCLVXZHMAQ-QRVBRYPASA-N	410.525	5.113	30	20	HKED	
N#Cc1ccc(NCc2nc(-c3cc(Br)cc(C(F)(F)F)c3)no2)cc1	612976845	ZIKIBNROTSVUNT-UHFFFAOYSA-N	423.192	5.002	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C	613346001	BCXVXJDGQFKBIO-HNNXBMFYSA-N	417.317	5.924	30	20	HKED	
O=C(Nc1c(F)cccc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	613383171	FBAAAWDRAZNOLE-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
N#C[C@@H](C(=O)c1cccc2c1OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1	614387062	YPMVPGQOEWCLFD-ZDUSSCGKSA-N	417.273	5.336	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccc(F)cc4s3)n2)cc1	619756512	LXWPOWDDWSXIEV-MRXNPFEDSA-N	403.463	5.526	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1	619758788	JMQDKHOTMFFJKG-MRXNPFEDSA-N	419.912	5.448	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)c1	726435887	HQOVXLWEJHFOGB-UHFFFAOYSA-N	415.518	5.128	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(-c3ccccc3)on2)cc1	726845506	JWUGUGCRFVJEKA-HSZRJFAPSA-N	408.461	5.319	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F	726858530	OHNZBHFQBSGLFB-XLIONFOSSA-N	416.452	5.459	30	20	HKED	
CCc1ccc([C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	727954057	UCXDJNOULFNJGB-XMSQKQJNSA-N	412.489	5.492	30	20	HKED	
CC(=NNc1ccc(Br)cc1F)c1sc(-c2cccnc2)nc1C	728431964	FDHYKXGSHWBISH-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1nc(C)c(-c2ccccc2)o1	730164167	ZQIZIRGPHJYNJI-UHFFFAOYSA-N	410.857	5.112	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	730417483	NSYVFFZXPCKEMM-GOSISDBHSA-N	408.498	5.473	30	20	HKED	
N#CCCSc1ccccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1	730953393	XROKXEIJBZFSIL-UHFFFAOYSA-N	405.548	6.294	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)c(C(F)(F)F)c1	731981662	KOVORESUGWCHED-AWEZNQCLSA-N	422.472	5.680	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1	734644538	QXWQZTLKABDOLR-UKILVPOCSA-N	410.521	5.133	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)CCc1nc(-c2ccoc2)no1	739471896	SVGVTKPQXJSGON-UHFFFAOYSA-N	424.526	5.039	30	20	HKED	
C[C@@H](NC(=O)c1ccsc1NC(=O)c1ccccc1Cl)c1cccc(C#N)c1	743777913	ZILBCZARUJUKMJ-CYBMUJFWSA-N	409.898	5.016	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cc(Br)c1O	745989988	JETHQHIZLAULIQ-FARCUNLSSA-N	410.267	5.121	30	20	HKED	
CCCCCCCCOCc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1	746028086	RVLYGCIFCQDVTK-PKTZIBPZSA-N	401.595	5.264	30	20	HKED	
Cc1ccc2c(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c[nH]c2c1	749422912	DJNORAYIDCZSKI-XMMPIXPASA-N	408.505	5.496	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)c3cc(Br)cnc3Cl)cc2)cc1	750564255	ILZVAEFBWIHHKH-UHFFFAOYSA-N	413.658	5.255	30	20	HKED	
C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CN1Cc1ccccc1	757772322	JCLCMLLARDKKRE-LIKDZFNVSA-N	424.548	5.127	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1	767741885	VOZUGKIMGYMGEG-HNNXBMFYSA-N	414.289	5.058	30	20	HKED	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(O[C@@H](C)C#N)cc1	768170837	WTLHCOKKAQMKCW-HNNXBMFYSA-N	420.340	5.135	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	768970782	CWOQILANTOFUPS-AWEZNQCLSA-N	424.353	5.513	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1	776183165	RBURFUYTVROHJM-QIJUGHKUSA-N	418.459	5.019	30	20	HKED	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1SCCC#N	782278132	UJYSAJHTQCUINA-UHFFFAOYSA-N	418.544	5.057	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccco3)cc2F)ccc1OC	786488182	QRRMZTNDOGNQFE-KRWDZBQOSA-N	423.444	5.097	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(C#N)cc3Cl)c2)cc1	788361139	VBXVFBJTUWUWFS-WUXMJOGZSA-N	416.864	5.369	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)cc1	789649942	NTFZJNLCAOWSNV-PXNSSMCTSA-N	419.399	5.173	30	20	HKED	
N#CCOc1cccc(CC(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1	791906228	KFIRAWMKYDBLOK-OAQYLSRUSA-N	416.443	5.294	30	20	HKED	
COc1ccccc1CON=Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	799117943	PLVDUTZOHXWCPS-UHFFFAOYSA-N	415.902	5.040	30	20	HKED	
CC(C)(CCC#N)COC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1	810824773	FXZYEEHTZIOLQL-UHFFFAOYSA-N	408.926	5.753	30	20	HKED	
C=CCC(F)(F)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	815785016	RRFPAZWZGVOCCW-NSHDSACASA-N	415.303	5.270	30	20	HKED	
Cc1cccc(N(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)Cc2ccccc2)c1	915216609	RGNREBSOVXJBLZ-QHCPKHFHSA-N	418.500	5.239	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2nc3ccccc3s2)cc1	915353640	PUZDZLHYUSWLGK-FQEVSTJZSA-N	412.518	5.316	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1	916889091	BGTANDGGBRFXDD-QGZVFWFLSA-N	410.882	5.038	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1	916913120	MXLIPUFICGKSTG-XMMPIXPASA-N	424.500	5.226	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1Cl	916938003	KBMLPQADPNCYJU-JGZYNSJSSA-N	410.901	5.007	30	20	HKED	
Fc1ccccc1-c1ccc(C=Nn2c(S)nnc2SCc2ccccc2)o1	917028749	JVPYVHCXSOWGSE-UHFFFAOYSA-N	410.499	5.140	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1	917044535	TXIHQNMQTUUWTL-GOSISDBHSA-N	418.905	5.942	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2nc3ccccc3s2)cs1	917530578	NZQPZSLASJBJKL-UHFFFAOYSA-N	411.487	5.023	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2nc3ccccc3s2)cs1	917559213	GDHSGXMUGTVGQQ-DHZHZOJOSA-N	423.494	5.473	30	20	HKED	
CCCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1	917559748	NIVGRJJNDKVBPJ-SDNWHVSQSA-N	424.953	6.330	30	20	HKED	
COc1ccccc1/C=C(/C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1	917727811	HXPBUGCTYULOOR-HKOYGPOVSA-N	412.489	5.557	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nc2ccccc2s1	920106479	PQMHJBNFBPMOCS-CYBMUJFWSA-N	407.347	5.713	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(OCC2CCCCC2)cc1	920109698	UEUKTHCUNLLLKI-LJQANCHMSA-N	410.901	5.260	30	20	HKED	
N#C[C@H](C(=O)CCc1nccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	920111772	ZIPYUZAZFBLSQE-GFCCVEGCSA-N	408.335	5.382	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)n2)cc1	920139154	NZRNQSVCHJDWFD-SQWLQELKSA-N	408.445	5.364	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nscc45)CCC3)cc2)C1	1785810362	OWQXUEATUOBSCM-UHFFFAOYSA-N	417.534	5.010	30	20	HKED	
CC(C)CC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1	1790764084	MWLZBQRKXWKZPJ-UHFFFAOYSA-N	409.917	5.005	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cc2ccccc2o1	1797701065	IFEQHMKNVOXQAI-ZYPGILSSSA-N	420.553	5.077	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1819309301	RIZSYZBBHKRMDQ-CMXLANDRSA-N	424.589	5.307	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1	1819554967	UVKGOUSWPXHMBD-ICSRJNTNSA-N	412.578	5.141	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820906137	MYIOIPZNPLNOBN-HBXUSSAYSA-N	424.589	5.307	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1	1821920190	HLLLPAXZNRQCPR-VGSWGCGISA-N	416.525	5.081	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831694845	NRZFNQUPCDXYHC-SQOUVECCSA-N	402.623	5.035	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1	5406693	BDALQFXMOLGBJW-OAHLLOKOSA-N	406.869	5.293	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(F)cc1	7737009	AAIQYYBYPFUKLA-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1cccc(C)c1	16862900	HUYLILLCXVWZMD-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CCCc3ccccc32)cc1OC	25259545	RLQASZKTHSJEIR-LJQANCHMSA-N	402.332	5.190	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	46648244	UGIRYSMIHSLUCV-SFHVURJKSA-N	407.539	5.181	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(OC3CCCC3)cc2)cc1	58499337	WNQVRLUWXJCHBL-UHFFFAOYSA-N	402.416	5.084	30	20	HKED	
Cc1ccc([C@@H](NC(=O)CNc2cc(C#N)ccc2OC(C)C)c2cccs2)cc1	60087855	NDWGVLLUXJNKFI-XMMPIXPASA-N	419.550	5.033	30	20	HKED	
CCC[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccc(Cl)c(Cl)c1	63981412	XOUVMTNKWDOBBN-FQEVSTJZSA-N	421.372	5.311	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1	107807011	BKOBSRGYLJKIRX-HNNXBMFYSA-N	423.925	5.827	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	110057527	PVSKAZLIECUNIN-UHFFFAOYSA-N	408.470	5.719	30	20	HKED	
COc1ccc(-c2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cc2)cc1	237418570	SZKCQYNWTBZUIM-UHFFFAOYSA-N	422.532	5.429	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl	303270911	HHABCWODDQHEOJ-UONOGXRCSA-N	407.366	6.062	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	303319080	QWNALZNVMPBKEQ-OAHLLOKOSA-N	406.511	5.352	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1	409652007	KNFFRNRBCFAQFZ-INIZCTEOSA-N	406.935	5.179	30	20	HKED	
COc1ccccc1C[C@H](C)N(CCCC1(C#N)CCOCC1)Cc1ccccc1	410344314	KHOJZABMNJTCSC-QFIPXVFZSA-N	406.570	5.229	30	20	HKED	
N#C[C@@H]1CC[C@@H](Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)C1	430136677	TUQOHXLLSIBTSH-IUODEOHRSA-N	416.337	5.420	30	20	HKED	
COc1cccc([C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2Cl)c1	430626195	LNSAADPTEQOSEP-JOCHJYFZSA-N	422.937	5.484	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2Sc2nccn2C)sc2ccc(C#N)cc12	433232414	MBNRFYUEKIATIZ-UHFFFAOYSA-N	404.520	5.218	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)cc1	433267676	HFAMIVRZCBLMJW-QHCPKHFHSA-N	423.532	5.501	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)cc1	434154162	PLJAQONZFLAHJU-UHFFFAOYSA-N	420.578	5.521	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	435738901	UOHZCMAYBPMKDF-IERDGZPVSA-N	419.352	5.317	30	20	HKED	
N#CCC[C@H](NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1	438836946	HPBQMCOAMLRNBC-SFHVURJKSA-N	416.506	5.401	30	20	HKED	
CCCc1c(NC(=O)c2ccc(-c3ccccc3)nc2C)cnn1-c1cccc(C#N)c1	440076022	IYXDKUZFUUQFAN-UHFFFAOYSA-N	421.504	5.319	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](CN(C)CCC)C1)c1ccc(C(F)(F)F)cc1	441534033	OMROGWBJFOXPSZ-XLIONFOSSA-N	411.512	5.086	30	20	HKED	
COc1cccc(F)c1NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444909285	YVBXWXUNIAXQEZ-CYBMUJFWSA-N	424.316	5.668	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	445669412	BHKDTSDVXLYCFT-UHFFFAOYSA-N	411.933	5.130	30	20	HKED	
CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	447057597	QPMACELRXRPNDR-WIYYLYMNSA-N	411.571	5.132	30	20	HKED	
CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	448409636	HUVRKEWIKWHBTL-MRXNPFEDSA-N	409.555	5.346	30	20	HKED	
C=CCN(C(=O)c1ccoc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	463100990	ZVSCCNLJQPVMSI-UHFFFAOYSA-N	423.372	5.163	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(-c2cscn2)c1	463137883	ACXKJZGBLWBQMR-UHFFFAOYSA-N	411.486	6.035	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CC4(CCC4)Oc4ccccc43)ccc21	468810848	CFIRVHAKLLFLQO-OAQYLSRUSA-N	401.510	5.128	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	470831917	OJANQHDYFDVXOH-NFBKMPQASA-N	424.891	5.188	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1C(F)(F)F	471800276	RIWCGNFAWYQHRC-UHFFFAOYSA-N	405.725	5.159	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC)CC1CCN(c2ccccn2)CC1	475561196	LBHKEPXFYVFQAM-UHFFFAOYSA-N	420.601	5.704	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1	476936236	BYSZTEPQULZGAV-UHFFFAOYSA-N	403.891	5.471	30	20	HKED	
Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)C[C@H](CC#N)c1ccccc1	477102646	XQRRYIGVSICLBZ-INIZCTEOSA-N	412.415	5.132	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	477420097	CXRAIJGBYKFKDN-UFBFGSQYSA-N	407.276	5.527	30	20	HKED	
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	477998706	OYZYLZNUAPIRSD-CJAUYULYSA-N	413.496	5.343	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c12	483225486	FHONYMZWZJOYNO-HXUWFJFHSA-N	422.419	5.376	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nccc2ccccc12	483236628	PFSGUHOGLKNSJM-LJQANCHMSA-N	405.479	5.525	30	20	HKED	
Cc1c([C@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc2ccccc12	485025309	KDDKYQMCFDOVCA-WBVHZDCISA-N	407.539	5.425	30	20	HKED	
C=CCN(C(=O)c1cnc(-c2ccsc2)s1)c1nc(-c2ccccc2)cs1	486951124	YCHLDYOAISALBP-UHFFFAOYSA-N	409.561	5.828	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2c(ncn2-c2ccc(C)cc2)C1	487092639	YADBQAMHDXTPRC-UHFFFAOYSA-N	414.553	5.623	30	20	HKED	
C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	491381774	PTXRKZARACHJSZ-UHFFFAOYSA-N	423.582	5.577	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC(F)F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	497444846	RPGPJNAJFBISKX-JTQLQIEISA-N	424.350	5.319	30	20	HKED	
N#Cc1ccc(-n2nccc2NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	497925848	FOYOZLOHDQAIEX-UHFFFAOYSA-N	410.502	5.289	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	501149149	BSORADQTAIOACK-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503458855	HDYRFQYHMMOXPP-QGZVFWFLSA-N	402.523	5.131	30	20	HKED	
C[C@H](c1ccccc1Br)N(C)C(=O)CCCCOc1cccc(C#N)c1	503587947	BAQBYVLIHATRFI-MRXNPFEDSA-N	415.331	5.089	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1	505309411	CDKBCTGEANJRSW-MSOLQXFVSA-N	423.586	5.025	30	20	HKED	
N#C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1c(Cl)cccc1Cl	505482426	YORNUTHXXMTGAB-WFASDCNBSA-N	401.215	5.410	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1	505541169	VTUFVMXYEMVXSR-INIZCTEOSA-N	424.715	5.236	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c(OC)c1	505743561	JGOJTSYHHILPIS-UHFFFAOYSA-N	424.884	5.282	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H](C)c3ccc(C#N)cc3)s2)cc1	506182889	NDLHHSIRRSUJEP-GOEBONIOSA-N	420.538	5.120	30	20	HKED	
COc1cccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1F	507202115	IDQORHVMVLSFHG-UHFFFAOYSA-N	418.468	5.051	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ncccc2F)n1)c1nc2cc(Cl)ccc2s1	509914631	RYMGJOPDRDZXQX-SNVBAGLBSA-N	414.874	5.097	30	20	HKED	
CCOc1ccc(C2=CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1	510123771	LEJYQSSRGWEAAK-SFHVURJKSA-N	421.566	5.658	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)s2)cc1	510177242	SNJVQWMYVKUSKM-INIZCTEOSA-N	419.525	5.347	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N	510189715	LXNSNKQKQKTDDH-UHFFFAOYSA-N	409.898	5.013	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	512078224	SWHCUKFJMVEDOI-UHFFFAOYSA-N	401.413	5.190	30	20	HKED	
C=C(C)CN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1ccc(CO)o1	512197091	RUZICEKQZWFDPZ-UHFFFAOYSA-N	422.472	5.493	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)[nH]c(C)c1C(C)=O	515655487	QAXDPLGQRUVHDY-UHFFFAOYSA-N	416.481	5.098	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	516365299	NGCFIIDMUJGYKL-NSHDSACASA-N	413.346	5.002	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(OCc4ccncc4)cc3)cc2)cc1	517252711	OOEVRWSBBMKFPB-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)s1	517665382	BBZCNPZXEZPBGL-UHFFFAOYSA-N	417.534	5.110	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](c2ccccc2)c2cccnc2)c1	518277844	YMGPBTWCQDPHAP-MHZLTWQESA-N	405.501	5.411	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1	518516601	MXPSZZFOEUFDLL-FQEVSTJZSA-N	406.507	5.344	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(F)cc1Cl	518666727	HKAVQRIQUBKPPR-CYBMUJFWSA-N	408.951	5.745	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OCC(F)(F)F)cc1	518682953	BHIGTSBKCSYRED-CQSZACIVSA-N	423.460	5.201	30	20	HKED	
Cc1sc2ncnc(SCC(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)c2c1C	518710034	GJVKXRHOUWZKHH-QGZVFWFLSA-N	424.595	5.079	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1	520924015	DMLLSPHOJINCTJ-KBRIMQKVSA-N	415.356	5.586	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	521325941	AOOOUOBJQWYVAF-ZDUSSCGKSA-N	411.527	5.904	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1	522583610	JOYNSDANQPTPQZ-HSZRJFAPSA-N	418.880	5.218	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(Cl)cn1	526929138	USOINUOTUXRJKI-HNNXBMFYSA-N	407.926	5.390	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2)cc1	536392951	IOMHMTBYKFFJDM-JOCHJYFZSA-N	404.853	5.330	30	20	HKED	
C=CCCOCCCCC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl	537313673	HFNFGEBIIATVAZ-UHFFFAOYSA-N	416.953	5.026	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC(c4ccc(C(F)(F)F)cc4)CC3)o2)c1	539098252	AYKJTNWAHOHRSC-UHFFFAOYSA-N	412.415	5.007	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1CCc1ccccc1	541735917	JULNNEZQYPOQMT-FPOVZHCZSA-N	407.583	6.100	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N(C[C@H](C)C#N)C1CC1	542391098	NQURHDGKLOVODN-CYBMUJFWSA-N	408.502	5.567	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccccc1C#N	544468277	DJSHZEMWXKCURR-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](CCCC#N)c1ccccc1	550828038	VKMPEQWPZALWJG-VQIMIIECSA-N	403.448	5.447	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4ccoc4)c3)n2)cc1	551101879	XBZGDBWYIFSJQS-HXUWFJFHSA-N	400.459	5.569	30	20	HKED	
C[C@H](NC(=O)N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc(-c2cccc(C#N)c2)cc1	553993143	YWLNUSRZDVRTSU-IRXDYDNUSA-N	409.493	5.223	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)N(C)[C@@H](C#N)c3ccc(CC)cc3)cs2)cc1	567816986	VLIJZLISKVANEG-QFIPXVFZSA-N	419.550	5.037	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccccc3)cc2)ccn1	574848266	XOYVOMHAQGXWNY-DEOSSOPVSA-N	412.493	5.895	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c1	576542649	MYUIZUGOBJBBDQ-JOCHJYFZSA-N	422.912	5.035	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1	582233971	LPJNSQTYLVIWKJ-KRWDZBQOSA-N	414.474	5.079	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	584105395	WCUTZYXUYYHYQN-UHFFFAOYSA-N	424.863	5.240	30	20	HKED	
Cc1nc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	591618613	IDDUQZBXRNPNFQ-TYUQVFQOSA-N	416.635	5.032	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C	597477039	QINCCWXGISPHGT-UHFFFAOYSA-N	406.507	5.002	30	20	HKED	
Cc1cccc2sc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c(Cl)c12	602231029	VTOBXHQTHAQKET-UHFFFAOYSA-N	423.950	6.034	30	20	HKED	
CCCN(Cc1ccccc1F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	604495240	GCOGZVCSBGJRJW-UHFFFAOYSA-N	408.502	5.189	30	20	HKED	
C=CCn1c(SCc2cc(C)nc3ccccc23)nnc1-c1ccc(OC)cc1	605076469	IAELAVJPYPYGRM-UHFFFAOYSA-N	402.523	5.289	30	20	HKED	
C=CCCO[C@H](C)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606805286	ANOKVIJNTUJOGN-GXTWGEPZSA-N	423.376	5.039	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C	608843383	LCRWYUOOCKFVAM-NRFANRHFSA-N	415.459	5.672	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccccc3Cl)o2)c1C#N	609357351	DCDIGDPNJDEICN-UHFFFAOYSA-N	407.886	5.048	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	609377633	IWZARJJFSJOGGA-KBRIMQKVSA-N	404.457	5.699	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1coc(Br)c1	609378420	LABUQSJGSBRDDX-UHFFFAOYSA-N	419.222	5.319	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	609428521	RJBHFICURDICCF-QGZVFWFLSA-N	413.502	5.997	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1	609550787	YLMYYPQAAOZEIM-MRXNPFEDSA-N	403.448	5.130	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccnc(SCC(F)(F)F)c3)c2C#N)C1	609575832	GTOPXXZHZLGQIY-JTQLQIEISA-N	411.474	5.046	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1ccccc1	611837074	UXIDGFUKEPHHSG-FQEVSTJZSA-N	405.889	5.012	30	20	HKED	
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc([N+](=O)[O-])c1	617724531	MCDDUOHPAZJZDR-LBPRGKRZSA-N	423.416	5.362	30	20	HKED	
C[C@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1cccc(C#N)c1	618102810	FHCOPNRQKYVEBX-HNNXBMFYSA-N	400.869	5.042	30	20	HKED	
O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642389958	MZIBKUOKTVBZBB-MYJAWHEDSA-N	422.291	5.736	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cc1	683188293	VVFGSILGQFHOSE-UHFFFAOYSA-N	424.369	5.050	30	20	HKED	
COc1ccc2oc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2c1	728006550	NFZOVFKIGWOYFI-UHFFFAOYSA-N	412.445	5.453	30	20	HKED	
COc1ccccc1/C(C)=C\C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	729370298	SGRQFZJZSSDRLN-PVFXMYQXSA-N	412.489	5.059	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)OC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	734709087	ZIEWDMHMKAHMHO-KRWDZBQOSA-N	414.461	5.014	30	20	HKED	
COCCCOc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	741901317	HAZMVZYZQBRRGO-DEOSSOPVSA-N	400.478	5.010	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	741914950	LTSANGAACINSAF-MOPGFXCFSA-N	410.304	5.232	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Sc2ccccc2)c1	741933715	LHJDWJRUKQONKR-LJQANCHMSA-N	402.519	5.449	30	20	HKED	
CSc1cccc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2cc(F)ccc2F)c1	742384552	IAMCGDRTPHZIIV-UPCLLVRISA-N	424.516	5.857	30	20	HKED	
COCc1cccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1	743425923	BCDNBUILVIYJIH-UHFFFAOYSA-N	423.925	5.115	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	744027232	NIPMQPMNXMGHQM-DYVFJYSZSA-N	420.456	5.057	30	20	HKED	
N#C[C@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	744116561	RQELDPCSKBDSON-PZJWPPBQSA-N	414.505	6.028	30	20	HKED	
Cc1ccc(-c2noc([C@H](C)ON=Cc3ccc(Br)cc3)n2)cc1F	744444863	CMCFOVOVFNSFRE-LBPRGKRZSA-N	404.239	5.058	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1	751013517	HKKFNOCPZODTPS-UHFFFAOYSA-N	423.925	6.130	30	20	HKED	
COc1cccc(/C(C)=C\C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	751825871	CYGWXELZNUBNIO-CPPNXCSESA-N	408.910	5.752	30	20	HKED	
C#CCN1CCC(C(=O)N(C)[C@@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)CC1	760110338	NMUIGZZDDZKGEG-NRFANRHFSA-N	418.581	5.005	30	20	HKED	
Cc1cccc(Oc2ccccc2NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1	761816580	PGPDTUNAURHTPX-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2COc3ccc(Cl)cc32)cc1	762213714	JZIXEVPKBOESRQ-SFTDATJTSA-N	403.869	5.251	30	20	HKED	
CC(C)Oc1cc(O)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	762702545	LFKLEGQTNFFVPF-UHFFFAOYSA-N	422.868	5.749	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1cc(Cl)cc2cccnc12)CCCCC3	763125225	MVYYCGPGNDKORM-UHFFFAOYSA-N	422.941	5.119	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccc3[nH]ccc3c2)cc1	765651996	JBWZQEBLGNVQRU-XYOKQWHBSA-N	407.473	5.465	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	769123256	XZSALBQJPMLZEZ-QAPCUYQASA-N	404.457	5.387	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	769297294	OFWOALHGCKXDLZ-UHFFFAOYSA-N	423.425	5.040	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2sc(C(C)(C)C)nc2C)ccc1OC	772983939	AWNJAPHDIAZWAD-YOEHRIQHSA-N	401.576	5.289	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NCc2cc(Cl)ccc2OCC#N)cc1	775456971	DRYQRLJGKKJYGB-QGZVFWFLSA-N	406.913	5.769	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCc2c(Cl)cccc21	776076508	HAUHCWAQVXFWFK-KBPBESRZSA-N	407.684	5.024	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1	777215948	NYLFIDCUNXKVNV-LJQANCHMSA-N	412.961	5.546	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C\c3ccc(-c4nc5ccccc5s4)o3)cc2N1	779462142	ISILYNXKSOXGPY-ALCCZGGFSA-N	424.528	5.558	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	780980839	CJWILEGPQNBEOJ-GCJKJVERSA-N	409.530	5.087	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(C3CCCCC3)c2C)cc1	781448117	MGRCLAWTTIMXLQ-NRFANRHFSA-N	406.530	5.001	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	782569926	DUWYPOLOESMSAR-GFCCVEGCSA-N	408.807	5.320	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Br)cs2)ccc1OC	786854422	NQJWHSZIZIOJNC-SWLSCSKDSA-N	409.349	5.051	30	20	HKED	
C[C@H](C=Nn1c(S)nnc1CSc1ccccc1)c1ccc(C(F)(F)F)cc1	789038644	ZZORMKOFYQDGOT-CYBMUJFWSA-N	422.501	5.516	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl	789449491	GOLOMBKCLIPYNS-IBGZPJMESA-N	407.341	5.700	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CSCc2coc(-c3ccccc3)n2)s1	797568862	XBLXFCDGHRUXKM-INIZCTEOSA-N	411.552	5.205	30	20	HKED	
N#Cc1cc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc1OC(F)(F)F	799446158	GIFGWIAMHIAQKN-UHFFFAOYSA-N	409.578	5.669	30	20	HKED	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C/C(=O)c1ccc(N2CCOC2=O)cc1	806571984	SEGIAFJZFVTMOY-MMMBZVNJSA-N	401.384	5.504	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)c1ccncc1	806819591	PWWCWHCYZWWOFK-FQEVSTJZSA-N	403.448	5.339	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CC[C@H]4CNc5cccc3c54)nn2)c1	814926859	NJRRKBGGQDAYPL-AWEZNQCLSA-N	409.415	5.282	30	20	HKED	
CC(C)N(Cc1ccc(NCc2cc(C#N)ccc2N(C)C)cc1)C[C@@H]1CCCCO1	864009950	DECBCIIBAATVMV-VWLOTQADSA-N	420.601	5.016	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2ccsc2C(F)(F)F)no1	904922178	CEWZJDNHWQHVJO-NSHDSACASA-N	416.425	5.077	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])cc1	916135389	WVRRNZVQHDWNCZ-RMKNXTFCSA-N	415.268	5.377	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OCCC(C)C)cc1	916903755	SLTDNPWNSXBHFW-JOCHJYFZSA-N	406.526	5.197	30	20	HKED	
COc1cc(/C=C2\CCc3ccccc3C2=O)cc(Br)c1OC(F)F	917143917	XETXGQFSRBRHAI-MDWZMJQESA-N	409.226	5.272	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	919978089	XIULRRFJBLDTBB-UHFFFAOYSA-N	404.278	5.272	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)o2)cc1	920102123	PRZPOBWVSUUJSP-LJQANCHMSA-N	410.429	5.144	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc4ccccc4c3)n2)cc1	920144546	UNTRGEQHIIJKNT-QFIPXVFZSA-N	412.514	5.781	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccccc2CC)cc1	10169050	ZCUQQQAQRQIKAY-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cccc(Cl)c2C)cc1	11257028	WCXACFDXUVCESA-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
C=CCn1c(SCCOC)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12	29810899	WFAYWFXSPACJSJ-UHFFFAOYSA-N	416.550	5.393	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2ccccc2s1	41504085	XLRWCZRKCHVOPX-GFCCVEGCSA-N	401.472	5.656	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)n1	41519796	MFDFCEWIDQFJPI-HNNXBMFYSA-N	412.927	5.304	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2C2CCCC2)cc1	56638984	FUQLGILINKYAGQ-DEOSSOPVSA-N	403.526	5.518	30	20	HKED	
C=CCN(C(=O)c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	247986066	IVNAOLWSHWKRRC-UHFFFAOYSA-N	424.740	5.998	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1	431162070	QTXXQOILNVCNBR-UHFFFAOYSA-N	411.914	5.117	30	20	HKED	
CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H](C)c1cc2ccccc2o1	432474515	DMUFPQITWLNISX-KRWDZBQOSA-N	403.482	5.023	30	20	HKED	
C[C@@H](NC(=O)CN[C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	433027335	KFEMQHXMVBLGNL-QRWLVFNGSA-N	404.341	5.195	30	20	HKED	
CC(C)Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1C#N	435354220	ALVNLCXLRCJTSO-UHFFFAOYSA-N	409.873	5.225	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4ccc(Cl)cc4n3)n2)cc1	437358173	XIHJRRMMEZZCRW-KRWDZBQOSA-N	414.877	5.373	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(Cc2ccc(F)cc2)CC1	437606058	SHCCUHNXMKYEGI-UHFFFAOYSA-N	401.441	5.155	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)c1	438066975	NHFWRMVAQDKIPF-RPBOFIJWSA-N	422.488	5.654	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C	439108297	MBBLHPVRXNRTHR-UHFFFAOYSA-N	416.264	5.480	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1	440393031	TUGHGAXCYBSQPX-SHQCIBLASA-N	408.501	5.174	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cs1	442672829	RQLCJWROSRZABH-HNNXBMFYSA-N	409.923	5.872	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3CC(=O)c3ccccc3)c2)c1	443857506	ZUIVZZPCRQJJLW-DEOSSOPVSA-N	424.500	5.015	30	20	HKED	
C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(OCc2ccc(F)cc2)cc1	446171720	SCPYNSQMUUYJAD-CQSZACIVSA-N	410.395	5.046	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1	447231953	PPVBVUHGYCUVEI-MRXNPFEDSA-N	403.979	5.461	30	20	HKED	
CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	447867688	YICFTIVGWSCUPA-UHFFFAOYSA-N	413.437	5.035	30	20	HKED	
COCCN(C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)c1ccc(C#N)cc1	460348102	LCXKBFACJCPLNZ-ZDUSSCGKSA-N	409.338	5.025	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1cccc(C#N)c1	462253975	GGKBPHDTFUANDN-ZDUSSCGKSA-N	412.276	5.795	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)c2C)c1	462256594	HDBYNWVQTFPCNZ-KRWDZBQOSA-N	400.478	5.197	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc4cc[nH]c34)cc2Cl)c1	463481118	JNYKJYLMFXHQAB-UHFFFAOYSA-N	401.853	5.524	30	20	HKED	
N#C[C@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1cccc(Cl)c1Cl	464400972	VLCVZROOGQEBIU-LBPRGKRZSA-N	409.141	5.285	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@H]1[C@H](C#N)c1ccccc1	464823627	QTLDNYDRZAXWKG-RPWUZVMVSA-N	403.570	5.644	30	20	HKED	
CN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)C2	466161295	CYAYPRCIYAVIBU-OALUTQOASA-N	424.932	5.141	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc4ncccc4c3)c2)cc1	471202082	CVQUDUHSSUITHW-UHFFFAOYSA-N	422.488	5.202	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(c3ccccc3F)C3CCCC3)o2)cc1	471427165	LNPJEVMPAXWXLO-UHFFFAOYSA-N	404.441	5.459	30	20	HKED	
Cn1c(CNc2cccc(Oc3ccc(C#N)cc3)c2)nnc1-c1ccc(Cl)cc1	471966543	WTYPUBKPCCFTCR-UHFFFAOYSA-N	415.884	5.412	30	20	HKED	
C=CCCOCCCCC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1	472252477	SHHUAJGAAQJJGP-GOSISDBHSA-N	401.494	5.085	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1	472345422	FCJNATPJYTYVQK-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCN(Cc2ccccc2)C1	475005962	BSBHXVLPVFBKAW-TZIWHRDSSA-N	422.598	5.067	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1	476064243	SQQYPLLHUUGARY-KNQAVFIVSA-N	418.928	5.481	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1	476091225	QKKJVJFTUNZEGO-UHFFFAOYSA-N	403.276	5.462	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2ccccc2Cl)cs1	478344084	VQMRDDVQDXZHDK-UHFFFAOYSA-N	418.909	6.135	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)c2cc(Cl)ccc2C#N)c1	479575940	LSEAAMUNJOFBBK-UHFFFAOYSA-N	404.297	5.126	30	20	HKED	
Cc1nc(N[C@@H](CCC#N)c2ccccc2)nc(N[C@H](CCC#N)c2ccccc2)n1	480442662	JBWOWZQWBUWLKU-SZPZYZBQSA-N	411.513	5.094	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cnn([C@H](C)CC)c2C)cc1OC	480456418	ZBUUAMUKYHPOMU-CYBMUJFWSA-N	408.340	5.111	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)[C@H](C#N)c1nccc2ccccc12	483233303	IWVGDALVFZOZOO-GOSISDBHSA-N	409.283	5.275	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2C(F)(F)F)cc1	483235368	SVYQXPNEQQAYQW-SFHVURJKSA-N	420.394	5.238	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N[C@]2(C#N)CC2(C)C)c2nc3ccccc3s2)c1	484921268	UQPJEHQMLXGWDE-OBZJUVQRSA-N	417.534	5.044	30	20	HKED	
Cc1cc(C)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Br	486594494	CNKIOLHCEZZGRY-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
CCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OCC	487321113	JKAVVGIKUQPISL-UHFFFAOYSA-N	421.522	5.045	30	20	HKED	
CCOc1ccc(-c2nc(CNc3ccccc3S[C@H](C)CC#N)cs2)cc1	487366213	WRGFCEYPEBBHGZ-MRXNPFEDSA-N	409.580	6.215	30	20	HKED	
COc1cccc(-c2nc(CSCc3ccc(F)cc3C#N)cs2)c1OC	488480187	GYRWIDDWGJOMEM-UHFFFAOYSA-N	400.500	5.271	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	490481244	TXROKAYIWHMIQM-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
C[C@H](NCc1cc(C#N)ccc1Br)c1ccc(OCC(F)(F)F)cc1	492748372	MQHJZQOTGPQDAY-LBPRGKRZSA-N	413.237	5.113	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1	494630452	GFVFRYMIWNCERV-OAQYLSRUSA-N	402.922	5.054	30	20	HKED	
C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1ccc(F)cc1	497998095	HRQDZXVBMJISQT-UHFFFAOYSA-N	419.485	5.145	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(OCc2ccccc2)cc1	505343895	MWUPYXKYZNDDMO-ACRUOGEOSA-N	416.443	5.315	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cc1	506186973	CXTJLUUBUMMQMZ-UHFFFAOYSA-N	416.502	5.052	30	20	HKED	
CCN(C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1)[C@H](C)c1ccc(C#N)cc1	509561532	RKZNSISYJJCAOP-MRXNPFEDSA-N	414.933	5.478	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC1(c2cccc(C#N)c2)CC1	512042335	XQQROJIXUFYYDX-ZDUSSCGKSA-N	421.850	5.226	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	512780998	KKUWGWLWEVHQSY-QHCPKHFHSA-N	403.457	5.110	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCC2CCCC2)cc1Cl	515896409	LLKXYOGBMUQVDO-OAQYLSRUSA-N	423.944	5.021	30	20	HKED	
CCc1noc2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc12	517283312	VPGHAODCHARELD-IBGZPJMESA-N	416.868	5.346	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1	517726153	LQJBRLUWIMNIEZ-KDURUIRLSA-N	423.532	5.164	30	20	HKED	
N#Cc1c(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)sc2c1CCCC2	518197756	GYMVLJDWSZNQPD-UHFFFAOYSA-N	414.490	5.197	30	20	HKED	
CCc1ccc2nc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)sc2c1	518377543	KFXVZDXBEWJVBE-UHFFFAOYSA-N	400.463	5.170	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	518740072	GMUZXUOJWNEAHH-KCXAZCMYSA-N	405.350	6.130	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc2ccccc2c1	518758897	MAWMIKHYINUNGC-QZTJIDSGSA-N	403.551	5.523	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1	519077106	YJZGSHOZAUYMME-UHFFFAOYSA-N	423.532	5.242	30	20	HKED	
CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1OC(F)F	520478370	ZNLUCKPKHPRIBM-LJQANCHMSA-N	401.457	5.231	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1	521195815	VMYOGFCKNYHYMZ-UHFFFAOYSA-N	414.431	5.285	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	521366489	MHNIAUZWBUPKMO-MRXNPFEDSA-N	414.465	5.192	30	20	HKED	
CSc1ncc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)n1-c1ccccc1	521734714	QXJOFALXCDUPNU-HNNXBMFYSA-N	408.552	5.098	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccncc3)cc2)c1	523278789	ZHLCMCAJYMFGJJ-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	524255003	POFDTPLRKULFNA-UHFFFAOYSA-N	400.478	5.206	30	20	HKED	
Cc1cc(C)n(-c2ccccc2CNCc2cccc(OCc3cccc(C#N)c3)c2)n1	531609973	ALAKQHZDKASLGB-UHFFFAOYSA-N	422.532	5.230	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](c1ccccn1)c1ccccc1OC)c1ccccc1	534058995	KSVSCIXUMVSBDE-QPPBQGQZSA-N	401.510	5.186	30	20	HKED	
COc1ccc(-c2nnc(NC(=O)c3ccccc3-c3ccccc3C#N)s2)cc1	536492598	PNGLYOSURLVWSQ-UHFFFAOYSA-N	412.474	5.005	30	20	HKED	
N#CCCn1cc(CN2CC[C@H](CSc3ccccc3)C2)c(-c2ccccc2)n1	536665919	HPYGJPMMGLCZFY-FQEVSTJZSA-N	402.567	5.078	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccc(C(F)(F)F)cc1	538229948	NIRSTZNQPNGQPD-SFHVURJKSA-N	421.850	6.206	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)cc1	539759418	JQTARABDMXBSGJ-UHFFFAOYSA-N	424.500	5.394	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1ccc(Br)c2cccnc12	541303920	KHIRTDBTAUVRFG-AWEZNQCLSA-N	412.356	6.004	30	20	HKED	
Cc1nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)oc1C	543980393	CSUSPVQCMJTAEH-ZDUSSCGKSA-N	420.275	5.722	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)cc1	554179636	QNTSGKVOHAKARB-AUSIDOKSSA-N	403.526	5.116	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	554441979	AIQWWSIGIRFGIE-UHFFFAOYSA-N	406.408	5.344	30	20	HKED	
CC[C@@H](C)[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	554597897	JJWQYEZVYABALJ-UTKZUKDTSA-N	410.949	5.089	30	20	HKED	
CC(C)c1ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c(C(C)C)c1	556624510	FVBGEMIBDJEXQE-QFIPXVFZSA-N	405.542	5.423	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Sc2ccccc2)cc1C	558307042	SYMTVWQVBYHDNA-UHFFFAOYSA-N	422.550	5.842	30	20	HKED	
C=CCn1c(SCc2cccc(N)c2)nc2cc(-c3ccccc3)sc2c1=O	562010917	QGWPEXLVFGDEEL-UHFFFAOYSA-N	405.548	5.186	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC=C(c2ccncc2)C1	562147572	YGQLYYUQHOCOLK-UHFFFAOYSA-N	424.504	5.162	30	20	HKED	
COc1cccc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	562484117	RRCWADOWEPAYRZ-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
N#CCCn1ncc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1-c1ccccc1	564505727	RRZPUECHDBYXDE-UHFFFAOYSA-N	409.371	5.200	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(-c2nc(C)cs2)c1	570835976	JPBZHQQXBNRGID-UHFFFAOYSA-N	409.559	5.506	30	20	HKED	
Cc1cc(Cl)cc2c1N(C(=O)c1ccc(COc3ccc(C#N)cc3)o1)CCC2	574434499	LSVQEOHQXMRPPN-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
CCN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H](C)c1cc2ccccc2o1	574930797	NZDVHMNQQBARNE-AWEZNQCLSA-N	423.538	5.212	30	20	HKED	
CSc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	575371483	MXVARNXRPFAKEY-HNNXBMFYSA-N	404.495	5.350	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)Cc1cn(C)nc1-c1ccc(C#N)cc1	575599781	OUIHENTWTDRIEM-UHFFFAOYSA-N	407.521	5.043	30	20	HKED	
Cc1csc(NC(=O)c2csc(-c3cc(Br)cs3)n2)c1C#N	582511383	NGHXEFQUGXIEFW-UHFFFAOYSA-N	410.343	5.128	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1	603460858	HFVCZPUGWYXMPJ-UHFFFAOYSA-N	412.436	5.658	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnc(-c2ccccc2)o1	604047348	PIBQJJHDIJNONE-OAHLLOKOSA-N	416.868	6.227	30	20	HKED	
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	604112852	LMJSWSPJUYBCAR-UNMCSNQZSA-N	423.944	5.115	30	20	HKED	
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	604142937	ACLPWOZGESQWKC-CNDZOEFASA-N	423.944	5.019	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	609164510	PJGGSZJBRKFTLQ-HXUWFJFHSA-N	420.944	5.816	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)s1	609305324	PRBRKIALQVSJFC-CQSZACIVSA-N	409.486	5.396	30	20	HKED	
N#Cc1ccc(NCC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1	609311703	TWNMXRFVPKHVFX-UHFFFAOYSA-N	402.454	5.025	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)CCC2	609553617	DJFSHVAZJRWVIQ-IBGZPJMESA-N	419.510	5.052	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)c2)cc1	609648343	SXGFOLCQRZUQKH-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1	609930314	ZNQNJBMCKKHXBN-VGOFRKELSA-N	402.523	5.244	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1	610090740	HMTCZFVNNKEFSH-GOSISDBHSA-N	402.498	5.142	30	20	HKED	
C[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(C#N)c1	610364465	TVJVNFGBRGFYPW-ZDUSSCGKSA-N	415.440	5.120	30	20	HKED	
O=[N+]([O-])c1ccc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C(F)(F)F	610468419	QHVXEYLJAGSGCB-YUMQZZPRSA-N	410.236	5.181	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1	612893477	PIBVCJOUNZBQFH-IBGZPJMESA-N	401.853	5.285	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccc(F)cc2s1)c1nc(O)c2c3c(sc2n1)CCCC3	613289929	YBVOTSUGRWDCDH-ZDUSSCGKSA-N	423.494	5.120	30	20	HKED	
N#C[C@H](C(=O)c1cccn1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	613319252	AHXOFQZTIXJDGX-LJQANCHMSA-N	417.921	5.803	30	20	HKED	
N#C[C@@H](C(=O)c1occc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	613404485	OESRBEZTDCNHJK-HNNXBMFYSA-N	412.392	6.065	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	613407629	ZYQVBUUFWYHXRL-HFBAOOFYSA-N	409.898	5.034	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NCc1nc(-c2cc(Cl)ccc2Cl)cs1	618741348	FBLQXYTTYJZHFM-SFHVURJKSA-N	400.334	5.766	30	20	HKED	
Fc1ccccc1-c1ccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1	642198136	YRHSPZYCCAHZTJ-VXGBXAGGSA-N	409.345	6.085	30	20	HKED	
CC[C@H](Oc1ccccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	673935698	SCIXLPACKRAFBO-GYSYKLTISA-N	415.349	5.009	30	20	HKED	
C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F	675738625	QOGQTYNWSZBIGA-NNYUYHANSA-N	405.329	5.848	30	20	HKED	
O=C(Nc1cc(C(F)F)ccc1Cl)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	676136051	YAJXMPLYRBIALW-YUMQZZPRSA-N	410.692	5.482	30	20	HKED	
Cn1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(-c2ccc(Cl)s2)n1	682771329	DFWYJLDLBLUZHJ-JTQLQIEISA-N	416.890	5.041	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	685668353	PSVLROUCACNWGG-GFCCVEGCSA-N	409.305	5.363	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(Br)s1	725831179	QANKUSKWGYPWRD-UHFFFAOYSA-N	415.238	5.309	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(Cl)c(Cl)c1	726320147	UCDYRNPNHXREEG-QGZVFWFLSA-N	417.336	5.398	30	20	HKED	
COc1ccc(OC)c(NC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)c1	726474425	FCVFGJQIZKLISW-UHFFFAOYSA-N	405.479	5.177	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C	726701693	FMDZRSHRWQCPBH-UHFFFAOYSA-N	407.514	5.204	30	20	HKED	
COc1cccc(NC(=O)/C(=C/c2cc(F)c(F)c(F)c2)C(=O)c2ccccc2)c1	727975142	ADPVVJSJUFAUHA-VCHYOVAHSA-N	411.379	5.018	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(C(F)(F)F)cc1	731332064	CGAXIXDPZWRUBP-PLFFATQSSA-N	404.457	6.142	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1Cc1ccccc1	731349591	OSUHEHRHHOCEAG-SFHVURJKSA-N	403.551	5.800	30	20	HKED	
CCN(C(=O)COc1cccc(C#N)c1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	732963951	RNVVNKOHRHBASF-AREMUKBSSA-N	413.521	5.094	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(Cl)ccc2Br)S1	742429075	GQFJKQLQPUWBAC-DHDCSXOGSA-N	421.747	5.611	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1	743475891	WWHQSTLZBOTDRU-RBUKOAKNSA-N	418.566	5.105	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)N[C@@H](CCC#N)c3ccccc3)cccc21	748624132	UAYFSQOHJVUIEQ-IBGZPJMESA-N	420.513	5.151	30	20	HKED	
C=C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	759205459	JJXJEVBAQCHCPD-UGKGYDQZSA-N	410.473	5.486	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(OCc4cccc(F)c4)c(F)c3)o2)c1	760455868	PEMCFBPHSPFYJT-UHFFFAOYSA-N	418.403	5.078	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1	761664486	UTHFCUWHHKFGOM-UHFFFAOYSA-N	408.260	5.231	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2csc(Cl)c2Cl)nc(-c2ccccn2)n1	761817294	QUNUIPVLOZGEKE-UHFFFAOYSA-N	418.231	5.372	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(CSC4CCCC4)c3)CCO2)c1	761872433	LDZGTMRRJTTXEM-QHCPKHFHSA-N	421.566	5.339	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)c1cc(Br)ncc1F	762424463	HMFYGMJFEPIZHR-AATRIKPKSA-N	407.239	5.142	30	20	HKED	
CCOc1ccc(C(=O)/C=C\c2csc(-c3cccc(OC)c3)n2)cc1[N+](=O)[O-]	765615491	GRFXMYMYQMYNJE-HJWRWDBZSA-N	410.451	5.022	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3ccc(Br)cc32)c1	772982063	CXVLZBCVJQXMRA-YLJYHZDGSA-N	415.331	5.134	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCc3c2sc2ccccc32)ccc1OC	772985604	KXTILJSYXDWYGU-XLIONFOSSA-N	406.551	5.758	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)ccc1OC	772986584	PBXJJSSMXIQRTO-HYBUGGRVSA-N	421.585	5.607	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(OC)c(-c3ccccn3)c2)cc1	774571585	WWGCQQLNWUFIPC-UHFFFAOYSA-N	416.477	5.019	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	775613989	OSIYCVROBAJNKI-UHFFFAOYSA-N	406.379	5.229	30	20	HKED	
COC1CCN(c2ccc(N[C@@H](C)c3ccc(C#N)c(F)c3)cc2C(F)(F)F)CC1	777680029	LGTPMHCXXFCTLY-AWEZNQCLSA-N	421.438	5.504	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1	780300515	BDYVPRDMRUMEAQ-AWEZNQCLSA-N	421.428	5.083	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1	780306399	WXPOTODUWNFZDJ-HXUWFJFHSA-N	409.445	5.073	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1)c1nc(-c2ccncc2)cs1	780330656	YPPGMITZBAQEPG-NRFANRHFSA-N	411.486	5.127	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2sccc2-c2ccc(F)cc2)n1	781211035	MIEOPFULZDFDNP-UHFFFAOYSA-N	406.417	5.003	30	20	HKED	
CC(C)[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)cc1F	781907094	CXRRRUCFTWGNDE-JOCHJYFZSA-N	401.913	5.121	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	783418240	DRYDFPQMAHBCOW-UHFFFAOYSA-N	424.250	5.459	30	20	HKED	
Cc1nc2ccc(Cl)cn2c1NC(=O)c1ccccc1Sc1ccccc1C#N	786644198	DRYLBAMAFBXJFI-UHFFFAOYSA-N	418.909	5.571	30	20	HKED	
Cc1cccc2cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)oc12	787049401	GOVYWVYEXCHUAP-WBMJQRKESA-N	415.276	5.248	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1cnc(-c2ccc(Cl)cc2)s1	788975459	OUTQXSJWSYACPY-UHFFFAOYSA-N	411.943	5.201	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(N2CCOC2=O)cc1	789127448	KGMDIVWQYKMSRV-MDZDMXLPSA-N	410.882	5.316	30	20	HKED	
FC(F)(F)CCN(Cn1cc(C(F)(F)F)cc(Cl)c1=S)CC(F)(F)F	790401768	BKLBESGWHUKOIB-UHFFFAOYSA-N	420.728	5.664	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1	796749442	VBFTZUQOILZQIM-IBGZPJMESA-N	404.491	5.103	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2ccc(C#N)cc12	796776545	YBNAOBWJMYPTAS-GOSISDBHSA-N	424.510	5.567	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)O[C@@H](C)C2	797573333	QUNPVYAJINGFFO-IKICRFKJSA-N	424.566	5.143	30	20	HKED	
O=C(NCc1cccc(COCC(F)(F)F)c1)[C@@H](F)c1ccc(C(F)(F)F)cc1	801686064	MUZLDMSELXCYAJ-INIZCTEOSA-N	423.328	5.111	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Cc3nc(Cl)ccc3C2=O)cs1	806580014	YLZSLHQVEUMJNZ-NTEUORMPSA-N	409.898	5.007	30	20	HKED	
N#Cc1ccc(CNc2ccc(OC(F)F)cc2OC(F)F)c(C(F)(F)F)c1	811469624	ILDHDIACVYZWEG-UHFFFAOYSA-N	408.273	5.392	30	20	HKED	
N#CCOc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1	915636374	RPIZXESRNPJZKQ-YBEGLDIGSA-N	420.437	5.014	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)ccc2N1	915993503	RQEGKWUALGEEMA-XBXARRHUSA-N	422.824	5.289	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=S)Nc3ccc4ccccc4c3)c2)c1	916000610	NOYFXUWDLMZHHC-UHFFFAOYSA-N	409.514	6.099	30	20	HKED	
CC(C)(C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	916927173	DVEPJQXGTOXCJE-CQSZACIVSA-N	419.308	5.017	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccc(OC)c(Cl)c2)cc1	916947710	ANBFKRUWCOBYLQ-KXBFYZLASA-N	412.917	5.142	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(F)(F)F)cc3)n2)cc1	916974797	RBJREUPKHRHGMI-KRWDZBQOSA-N	416.424	5.436	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NN[C@@H](C)c1ccccc1	920385863	IWDMCMQNGHQYGI-ZDUSSCGKSA-N	406.839	5.538	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)s4)cc3)CCC2)C1	1787325997	VTJHWGNSSCYRKL-UHFFFAOYSA-N	400.931	5.115	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1	1789254239	HDWCDVKJDIPXJV-UHFFFAOYSA-N	409.536	5.014	30	20	HKED	
C[C@@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)Nc1ccccc1C#N	6000297	QXVMLWSJMBBXDO-CYBMUJFWSA-N	410.882	5.124	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2ncc(-c3ccc(Cl)cc3)o2)n1	10399489	ZYRVEIGLKUWVHZ-UHFFFAOYSA-N	409.820	5.881	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccccc2CC)cc1	11164443	WPLVBKOLRKFHKM-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccccc1F	11171385	WADXLPOPLJFGIZ-UHFFFAOYSA-O	419.545	5.215	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c3c(C)noc3n2)c(C)o1	12832409	NIDGVRCALCEOPH-UHFFFAOYSA-N	406.829	5.185	30	20	HKED	
CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1-c1ccccc1C#N	50867497	VRCAUCSJXUQNGI-GJZUVCINSA-N	410.517	5.465	30	20	HKED	
COc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(C(F)(F)F)c1	55409837	ZSLGPBLOISXSMT-UHFFFAOYSA-N	416.355	5.010	30	20	HKED	
COc1ccc2c(c1)CCN2C(=O)c1ccccc1SCc1ccc(C#N)cc1	58904572	DXTVMWKOZKUXCC-UHFFFAOYSA-N	400.503	5.062	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](c2ccccc2)c2ccc(OC)cc2)ccc1OC	60927111	ITKQAMARZKKLGQ-SANMLTNESA-N	403.522	5.538	30	20	HKED	
C[C@@H](Sc1nc2cc(Cl)ccc2o1)C(=O)Nc1sc2c(c1C#N)CCC2	218650808	GPNIIRKUUFJCED-SECBINFHSA-N	403.916	5.022	30	20	HKED	
Cc1nc(CCCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1	426138150	JCOIXGVBPPTQMG-UHFFFAOYSA-N	405.523	5.058	30	20	HKED	
CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	429621158	KDCOTVRQOXYZLI-UHFFFAOYSA-N	417.513	5.054	30	20	HKED	
CC[C@H](C)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	429722508	IPVFHZNFGWUBPJ-MGPUTAFESA-N	401.491	5.349	30	20	HKED	
COc1ccc(-c2nnc(S[C@@H]3CC[C@H](C#N)C3)n2C2CCCCC2)cc1OC	430132899	MXQFWXCKUFWKAZ-MAUKXSAKSA-N	412.559	5.252	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1	430601490	UOFFKHHDBCWWNP-IBGZPJMESA-N	402.519	5.470	30	20	HKED	
N#CCCn1cc(CN2CCCCC[C@@H]2c2ccc(Cl)cc2)c(-c2ccncc2)n1	435126916	SJPYSTDMAKNVOH-HSZRJFAPSA-N	419.960	5.629	30	20	HKED	
Cc1sc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)nc1-c1ccc(F)cc1	436456595	LIYSTQQLLBLFCM-UHFFFAOYSA-N	404.426	5.037	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	438069098	ZTRCRPGQYOQNPB-XQFWAAQXSA-N	423.582	5.536	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)Cc2nnc(-c3cccc(C#N)c3)o2)s1	441231419	KKZWTTOPQAXLKK-UHFFFAOYSA-N	414.534	5.223	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2cscn2)c1)c1nc(-c2c(F)cccc2F)cs1	442808664	IGIMYAQVBVDDFU-CQSZACIVSA-N	423.469	5.702	30	20	HKED	
CC(C)CN1Cc2cccc(NC(=O)c3cn(CCCC#N)c4ccccc34)c2C1	444335093	JSPJSXHLIXHTQA-UHFFFAOYSA-N	400.526	5.169	30	20	HKED	
Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	444396540	JZKOQJHPPJMLJH-IAGOWNOFSA-N	419.554	5.458	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cnn1C1CCCC1	444479688	KKGHEFZQTLKQFB-UHFFFAOYSA-N	400.482	5.417	30	20	HKED	
C=CC[C@@H](CC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	466543351	UAXRIOVBSWUANY-UOKXEKBWSA-N	411.430	5.580	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2cnc(-c3ccccn3)s2)C(C)(C)C)cc1	467874447	HSPDPVCYCANPBS-UHFFFAOYSA-N	407.539	5.211	30	20	HKED	
CO[C@H]1CCOc2c(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)cccc21	468682388	MBZPCFABKBIYCQ-QHCPKHFHSA-N	414.461	5.381	30	20	HKED	
C[C@H](CCC#N)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1	470443095	BFWRVLZNRRYAIF-GFCCVEGCSA-N	404.326	5.420	30	20	HKED	
CCC1(CC)CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1	470539531	YYCGXKYNUDDTDX-UHFFFAOYSA-N	410.562	5.094	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(CSC2CCCCC2)c1	473815789	FFKFXOKACNSPJD-UHFFFAOYSA-N	408.571	5.595	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1ccccc1OC)N1CCCC1	475565864	XNDMDNVUPAMISE-HSZRJFAPSA-N	421.585	5.506	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OCc2ccccn2)cc1	475584324	OQUSIGQDYAALBX-UHFFFAOYSA-N	415.537	5.834	30	20	HKED	
Cc1ccccc1[C@H]1CCCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479197217	YNZWAXYPKBCTJT-YDPRHXJPSA-N	403.526	5.103	30	20	HKED	
COc1ccc(-c2ccncc2)cc1CNc1ccn(-c2ccc(C#N)cc2Cl)n1	479466994	OIRSCFWFAOKIHM-UHFFFAOYSA-N	415.884	5.080	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CC)c1ccccc1OC(F)F	479785982	GXEDQLDNMZTDJF-LJQANCHMSA-N	420.504	5.304	30	20	HKED	
Cc1cnc([C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C2CC2)s1	479855672	YPRIWRBKWOCKQN-FQEVSTJZSA-N	405.548	5.356	30	20	HKED	
C=C(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(F)c(F)c1	481608472	LNISTUJUZIBKAW-GOSISDBHSA-N	409.358	5.441	30	20	HKED	
Cc1nc2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)ccc2n1Cc1ccsc1	483233564	ITVYCOHJTDZIDZ-OAQYLSRUSA-N	422.513	5.493	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	491359572	TYKPLZKTGAOPNW-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
COCc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)sc2cccc(F)c12	500230871	SGMUPXGCLPLCDH-UHFFFAOYSA-N	400.500	5.251	30	20	HKED	
C[C@@H](Nc1c(F)cc(C#N)cc1F)c1cccc(NC(=O)Cc2ccccc2F)c1	500544592	MOIZPMMPHKNTHP-CQSZACIVSA-N	409.411	5.330	30	20	HKED	
Cc1noc(C)c1C(C)(C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	501854005	JWJACKGEHRVWQK-HNNXBMFYSA-N	402.498	5.126	30	20	HKED	
C=CCN(Cc1cnc2c(cnn2C(C)C)c1)Cc1cc(Br)ccc1F	504141350	DQMKGZATUMOSFG-UHFFFAOYSA-N	417.326	5.102	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	504557381	YYTGYXBWGGLSIA-QGZVFWFLSA-N	400.425	5.795	30	20	HKED	
C[C@@H](NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(C#N)cc1	505323988	BHUKXVDYUCADOZ-JPYJTQIMSA-N	408.505	5.232	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(CC(C)C)c3C3CC3)n2)cc1	509902624	WLPILSDKLAIDBC-SFHVURJKSA-N	404.539	5.339	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(C#N)c(Cl)c4)CC3)c2c1	510370486	ZUNYXNFMCHZXPV-UHFFFAOYSA-N	408.889	5.113	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1	510717617	MSPOUCVKCUFBQM-JOCHJYFZSA-N	423.944	5.427	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc(-c2ccncc2)cs1	512980207	HCISXGFYMUKSEI-SFHVURJKSA-N	413.527	5.522	30	20	HKED	
N#CCCN(Cc1ccc(OCc2c(F)cccc2Cl)cc1)Cc1ccccn1	513733343	QLKSUSVIYWJMEC-UHFFFAOYSA-N	409.892	5.369	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(Cl)c2ccccc21	515546873	HRWJQRHHZCYUIY-GFCCVEGCSA-N	400.290	5.585	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccc(C(F)(F)F)c1	520271354	FUYJSCXJFQAGHG-OAQYLSRUSA-N	410.395	5.279	30	20	HKED	
N#Cc1cc(Br)ccc1CNc1ccccc1NC(=O)c1cccs1	520652799	RPUSWUMCCGBHQV-UHFFFAOYSA-N	412.312	5.247	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCCc3ccc4ccccc4n3)cc2)cc1	521094073	QKPMQECUFJIVSD-UHFFFAOYSA-N	407.473	5.066	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1	522303515	HLAXYSQYLLMIPB-MRXNPFEDSA-N	405.523	5.044	30	20	HKED	
C[C@H](Nc1cc(C#N)c2ccccc2n1)c1cccc(NC(=O)Cc2ccccc2F)c1	522935285	HJYSZBNIGYLPEP-KRWDZBQOSA-N	424.479	5.600	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(C)C)nc4onc(C)c34)n2)cc1	523233090	HPZYWKKONKIRQJ-QGZVFWFLSA-N	416.506	5.577	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1cccs1	523983145	BIBFNIXMAMYHQY-FXAWDEMLSA-N	421.591	6.248	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc2ccccc2c1	533231011	LMXCOIPCWPIIRD-GOSISDBHSA-N	403.551	5.305	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1F	534150360	VGMYYWMLWCRNPI-LJQANCHMSA-N	402.425	5.246	30	20	HKED	
C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)c1cccc(C(=O)c2ccccc2)c1	536419496	FSTFPGXITDXYSR-IBGZPJMESA-N	412.489	5.342	30	20	HKED	
C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	539085123	WIJURXZRRSHAOH-RFAUZJTJSA-N	413.308	5.387	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccccc1	540378292	FCZGLKXZUTZGBF-MAUKXSAKSA-N	421.488	5.160	30	20	HKED	
N#CCC1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)CC1	541046427	CAHUWGAUDAFWRB-UHFFFAOYSA-N	408.498	5.385	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)o3)n2)cc1	542286330	FOXHYLPEYSNADI-SFHVURJKSA-N	400.459	5.569	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(F)F)c2Cl)o1	542575915	HPACTDCJTACYQO-UHFFFAOYSA-N	402.784	5.574	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)C[C@H]1c1cccnc1	543563009	FBTYTAJPKLDQNY-OSPHWJPCSA-N	412.493	5.669	30	20	HKED	
N#CCCSc1ccccc1NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1	543862623	DDHZDNPMMWTZNF-UHFFFAOYSA-N	404.326	5.192	30	20	HKED	
CO[C@@H](c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1)c1ccccc1Cl	545811499	VRPBOOVXLGALAH-HXUWFJFHSA-N	418.840	5.185	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2nc3ccccc3n2C2CC2)c1	546264521	PBHIXXQQEILLLB-UHFFFAOYSA-N	408.505	5.112	30	20	HKED	
C=CCOc1ccc(CN[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1Cl	546562916	PVBPSYRWMMJFEH-OAQYLSRUSA-N	402.325	5.171	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1c(C)nn(-c2ccccc2)c1C	547503659	QLQBEGBJMBQJMT-UHFFFAOYSA-N	400.935	5.424	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)c(F)cc1Cl	549338300	QKLVAHAEVMEZIJ-UHFFFAOYSA-N	416.239	5.752	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N(C)[C@H](C)c1cccs1	565509117	QBSPAYGLVXCJAP-OAHLLOKOSA-N	400.573	5.024	30	20	HKED	
CN(C)Cc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	570075538	COEKSHXFOFGMRC-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1	572681344	OSTDFCFCOAHOIJ-XBXGTLAGSA-N	409.370	5.463	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3-c3cccs3)CC2)c(F)c1	574354006	JGIQWDDWSYKXDB-UHFFFAOYSA-N	421.497	5.501	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C	574706536	PIRTZIRXAONZMD-UHFFFAOYSA-N	402.473	5.512	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C#N)c1ccc(OCC(F)(F)F)cc1	588204559	SAPKBPSGFZLBBB-GFCCVEGCSA-N	413.237	5.113	30	20	HKED	
CC(C)(C)c1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1	588348968	KPQZEZZMCBSROU-SNVBAGLBSA-N	409.458	5.559	30	20	HKED	
N#Cc1ccc(-c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cc1Cl	589121447	QHUBQZRLOHPKPR-UHFFFAOYSA-N	413.662	5.096	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	590031927	IWJDORJUASCWSB-CVEARBPZSA-N	404.297	5.043	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	601886576	FLPFFPYNCYRQLV-HXUWFJFHSA-N	407.558	5.500	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)CSCc3ccc(C#N)cc3)cc2)cs1	603687194	IIRYMSVPDBHVHF-HNNXBMFYSA-N	407.564	5.101	30	20	HKED	
Cc1sc(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)c(C#N)c1C	603728866	UDZJZIZXPLKNHQ-UHFFFAOYSA-N	408.527	5.491	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)COc3c(Cl)cccc3Cl)cn2)cc1	603764144	FNCRNXSWWQVZGZ-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(NC3CCCCC3)cc2)c1	608813918	IJBQRAHSOXJVLL-UHFFFAOYSA-N	415.493	5.727	30	20	HKED	
N#Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)cc1	609033510	ZIDVWMIKCFFCRA-UHFFFAOYSA-N	413.408	5.055	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCc3cc(F)c(F)cc32)cc1	609297974	QCLXWHUUWUHXKB-UHFFFAOYSA-N	408.379	5.361	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1c(Cl)cccc1Cl	609385235	GGFMYOFXXYNZDA-AWEZNQCLSA-N	422.381	5.458	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F	609386971	BGFGQSHXUMYOTF-ZIAGYGMSSA-N	407.461	5.396	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1	609436618	BSMJONSVQISOSL-ZIAGYGMSSA-N	402.589	5.718	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3ccc(N4CCCCC4)nc3)no2)c2ccccc21	609475214	PICIUIFHWXLTHV-ZRDIBKRKSA-N	424.508	5.161	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)cc2)nc1	609503180	JFWNYRGUXPUVTD-QUCCMNQESA-N	423.394	5.050	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2)cc1	609989645	RLKJZHBKZIWFMR-OAQYLSRUSA-N	420.394	5.315	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1C	610053694	ILOAKNYUVROPSA-BJKOFHAPSA-N	406.489	5.256	30	20	HKED	
C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1F)C(=O)N(CCC#N)c1ccccc1	610139800	HTRYKYQAADWEPP-CPJSRVTESA-N	415.512	5.034	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(C#N)c1	614253660	MUNCGZUKOBNXFJ-ZBEGNZNMSA-N	415.337	5.241	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674442176	GAKFYZHMBALKSY-NDBYEHHHSA-N	419.287	5.008	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)cc1NC(C)=O	726427941	BLQKMVBPPKTFBX-HJWRWDBZSA-N	412.898	5.327	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccc(CC)cc2)c1	726572837	PLMMBLRNTGBBMN-UHFFFAOYSA-O	419.957	5.495	30	20	HKED	
CC(C)(C)c1ccc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1	726594808	QUIRYVWYFACNMO-UHFFFAOYSA-N	404.297	5.892	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=NNc2ncccc2C(F)(F)F)CCC3)cc1	727778555	MEHODKLMBWFJIU-UHFFFAOYSA-N	418.444	5.385	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cnc(-c2ccco2)s1	728802259	SBCGMFUMPJIEOO-UHFFFAOYSA-N	403.916	5.242	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1	729947175	MYPSKOQDWQCHIZ-OAQYLSRUSA-N	410.445	5.339	30	20	HKED	
Cn1c(CC(=NOCc2cccc3cccnc23)c2ccccc2)nc2ccccc21	731664648	VCTQIRCLUWLINM-UHFFFAOYSA-N	406.489	5.285	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)CC(C)C	732214501	HLHWTZDDLDXQMY-GMAHTHKFSA-N	412.537	5.333	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	732499077	ILJGDLUOPQSLSI-ZFWWWQNUSA-N	414.502	5.693	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2c1	734306894	IFNQAPXIRROKKI-YVMONPNESA-N	405.435	5.104	30	20	HKED	
N#CCCn1ccc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)n1	735482652	MFPILFDMVZMVTF-UHFFFAOYSA-N	413.453	5.107	30	20	HKED	
Cc1cc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)ccc1-n1cncn1	742435535	XTAMAXOZYUBGES-BOPFTXTBSA-N	416.481	5.051	30	20	HKED	
CCCCCCNC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	743449330	MVWBAPDYFXTKDK-CQSZACIVSA-N	424.353	5.136	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(OC2CCCCC2)cc1	743476065	CNXJFIKMFBNZQM-IBGZPJMESA-N	421.541	5.154	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CCc3ccccc3F)n2)cc1	744060796	BKQWHHNOZIPALN-DNVCBOLYSA-N	408.498	5.403	30	20	HKED	
Cc1cc(OC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C(C)C)cc1Cl	748166394	KHPDSHWDSISXOO-UHFFFAOYSA-N	419.930	5.069	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCC(=O)c2cc(Cl)sc2Cl)n1	756299718	JUIIDSPMSKBYMN-SNVBAGLBSA-N	401.340	5.474	30	20	HKED	
C[C@@H](OC(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F	756636062	LEBJCWXNVIZDJE-SECBINFHSA-N	423.284	5.047	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Oc3cc(F)cc(F)c3C2=O)cs1	758028145	CKDUCCSKXGXCCA-GIJQJNRQSA-N	412.417	5.031	30	20	HKED	
N#Cc1ccc(CN[C@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)cc1	765011421	MITXRGVAJQOTOE-SFHVURJKSA-N	424.367	5.611	30	20	HKED	
COCCOc1ccc(C(F)(F)F)cc1NCc1c(F)c(F)c(F)c(F)c1F	765844742	IVUWDHFVMNOSPR-UHFFFAOYSA-N	415.280	5.038	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cncc(Br)c3)s2)cc1	767362551	TXEKADVJBZNUED-BAQGIRSFSA-N	415.312	5.181	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1SC(F)(F)F)c1ccc(OC(F)(F)F)cc1	768139052	ACFIRMULGLEBAU-CYBMUJFWSA-N	420.334	5.192	30	20	HKED	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C#N)cc2Cl)cc1	768994519	CTUBJWWNWVMUJL-UHFFFAOYSA-N	408.889	5.105	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCOc3c(Br)cccc32)c1	772986405	WSSKEJRQBZJAHH-UZLBHIALSA-N	415.331	5.134	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](c2ccccn2)c2ccccc2OC)cc1	773114671	CWSQZTAQMANITE-UUOWRZLLSA-N	408.929	5.662	30	20	HKED	
N#CCCCn1cc(C(=O)O[C@@H](c2ccncc2)c2ccc(F)cc2)c2ccccc21	774062052	FXOSKEQECOPWMR-XMMPIXPASA-N	413.452	5.426	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)c(F)c2)c(F)c1	776350947	SBWMHZLCSWDGNM-UHFFFAOYSA-N	419.431	5.038	30	20	HKED	
CN(C(=O)c1ccccc1OCC#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	776402394	VNGAAQZUZDOLCJ-IEBWSBKVSA-N	402.416	5.016	30	20	HKED	
N#CCc1ccccc1CC(=O)NC1(c2noc(C3CCCCC3)n2)CCCCCC1	777056767	XJABMIAVNWPFBI-UHFFFAOYSA-N	420.557	5.092	30	20	HKED	
CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCO1	778256555	NCPTYQMJGRWDIR-SMIHKQSGSA-N	405.542	5.447	30	20	HKED	
C=CC[C@@H](C(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccccc1	778419945	XPLOGPVKSSUXAF-OAQYLSRUSA-N	420.534	5.036	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1	788549133	RORSFKUGLQKYCV-UHFFFAOYSA-N	408.889	5.016	30	20	HKED	
O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1cnn(C2CCCC2)c1	799896442	OXDVVDQRGISQHV-YFHOEESVSA-N	413.930	5.583	30	20	HKED	
C[C@](O)(c1ccc(OC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1)C(F)(F)F	802109628	ANDDXWTUXIXZTJ-ZBFHGGJFSA-N	410.285	5.091	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3nc(Cl)c(C#N)s3)CC2)n1	804648370	BZEHWTXLJXUBHJ-UHFFFAOYSA-N	416.959	5.184	30	20	HKED	
N#CC[C@H](Cc1nc(-c2ccc(-n3cnc4ccccc43)cc2)no1)c1ccccc1	809364272	WHZMFKTVQUUXLN-HXUWFJFHSA-N	405.461	5.315	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SC[C@H](O)c2ccc(C(F)(F)F)cc2)n1	812311767	PGLQMDUIDKFJMR-AWEZNQCLSA-N	406.351	5.125	30	20	HKED	
N#C[C@@H](C(=O)CSc1cccc2cccc(Cl)c12)c1cc(C(F)(F)F)ccn1	813212930	GKTFLLTXKXWMFE-CQSZACIVSA-N	420.843	5.876	30	20	HKED	
CC(=NNc1ncccc1F)c1sc(-c2ccccc2Br)nc1C	814927263	FABFGAJFAUVWJG-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
Cc1sc(C2(N[C@@H](C)c3ccc(OCC#N)cc3)CCC2)nc1-c1ccccc1F	815660161	SWIQAPALAXGWOI-INIZCTEOSA-N	421.541	5.890	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1OC	820847245	WXQHONVGQGDWAT-LBPRGKRZSA-N	400.828	5.178	30	20	HKED	
Oc1ccc(Br)cc1C=Nc1cccc(COCC(F)(F)C(F)F)c1	915981131	MMEGBIJVLRIDHV-UHFFFAOYSA-N	420.200	5.322	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(C3CC3)C2=O)c1	916207271	DSLBASSDCJLDOR-NRFANRHFSA-N	421.566	5.043	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(OCC#N)c3)cc12	916410025	RVIMNQRJEAFACU-UHFFFAOYSA-N	422.897	5.204	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccc(Oc2ccccc2)c(F)c1	916709408	QLXJUKYXSAZODW-MRXNPFEDSA-N	405.429	5.403	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C)o3)nc2C)cc1	916915113	DINVIQAJTJCECI-GOSISDBHSA-N	421.522	5.324	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	921131566	LJVFECITNFOESH-ABAIWWIYSA-N	406.404	5.509	30	20	HKED	
C[C@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1	1790083015	WNKCUEZRAHEZRE-WNSKOXEYSA-N	421.928	5.005	30	20	HKED	
C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc2ccccc2c1Cl	1797464499	FJYQLBSTJNCQAJ-JONQDZQNSA-N	416.974	5.019	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1	1799623626	SMDNBVNTBAOQQE-MHORFTMASA-N	421.368	5.014	30	20	HKED	
C[C@@H](c1nnc(SCc2cc(C#N)ccc2F)n1-c1ccccc1)N1CCCCC1	11222159	GTDGHLUWKLKDIC-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)NCc1ccccc1	22730789	KETFBPDPGDWIAK-UHFFFAOYSA-O	417.598	5.389	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-]	51655582	OAOPQBXVENWNHY-CYBMUJFWSA-N	412.396	5.127	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2ccccc2o1	54736314	WISWUSUHIBNLDG-SFHVURJKSA-N	409.420	5.460	30	20	HKED	
N#Cc1c(NC(=O)CCN2CCCC[C@H]2c2cc3ccccc3[nH]2)sc2c1CCC2	112571168	BKZRDICNDVLHMD-NRFANRHFSA-N	418.566	5.146	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	195662631	NFUAILKWSZOZJL-RISCZKNCSA-N	418.305	5.156	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](c3ccccc3)c3ccncc3)c2)c1	237855465	LPRBHMDTVIBFMY-HHHXNRCGSA-N	405.501	5.411	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1	247709070	HPOLCSAIESNDGY-HNNXBMFYSA-N	417.715	5.716	30	20	HKED	
C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccc(NC(=O)c2ccccc2)c1	301304090	SVJDUTZAYSXNAQ-AWEZNQCLSA-N	410.399	5.397	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nn1C(C)(C)C	303204545	PDYSYKGVKJJHSF-UHFFFAOYSA-N	422.916	5.303	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1	303223197	VPMRTUVKJAGOEH-UHFFFAOYSA-N	413.949	5.081	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303719828	VZDFMOKUHHIJNC-LLVKDONJSA-N	407.276	5.066	30	20	HKED	
CC[C@H](CC#N)c1cccc(-c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1	328578342	IKWLQTVIAXHURS-GOSISDBHSA-N	424.552	5.425	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc1	410289786	JYDCOPKZTRXZNF-KRWDZBQOSA-N	404.416	5.258	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)Oc1ccc(Cl)cc1	429735790	GMPFSKCQCZEWQI-GJZGRUSLSA-N	403.935	5.181	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1	432721335	VPIIGTJTYYTSRU-GOSISDBHSA-N	416.403	5.056	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1	432962635	XMUQRPGVTOPFFO-UHFFFAOYSA-N	416.319	5.042	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1	435355731	FXLCKYUJLNJXLP-UHFFFAOYSA-N	421.522	5.495	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1	439478134	LTYTVQUPLHIYEP-OAQYLSRUSA-N	414.440	5.656	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H]1c1ccncc1)c1ccc(C(F)(F)F)cc1	441534014	JIJWSNJTANPJGI-UXHICEINSA-N	403.448	5.654	30	20	HKED	
CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc21	448418094	UHKDEIZWXGSVPM-OZOXKJRCSA-N	421.566	5.020	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2	460456953	BPMJAGYZYALFAW-UHFFFAOYSA-N	405.567	5.443	30	20	HKED	
COc1cccc([C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c1	462140824	NKDVMUDHVYOVGQ-MWTRTKDXSA-N	404.897	5.230	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)CSc2ccc(C#N)cc2)c(C(F)(F)F)c1	464538896	SKJIMKPEZHJQQB-UHFFFAOYSA-N	422.472	5.163	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F	464829598	MJPPOVXGYDKLLZ-APWZRJJASA-N	421.850	5.069	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)NCc3cc(C#N)ccc3F)cc2)c1	465947216	GAVQBRTUPGAHOX-GOSISDBHSA-N	417.484	5.145	30	20	HKED	
CC(C)CO[C@@H](C)c1noc(CNc2ccc(Oc3ccccc3C#N)c(F)c2)n1	467271762	SGMRPINICJOQFL-HNNXBMFYSA-N	410.449	5.218	30	20	HKED	
C[C@H](O)C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	469691300	DERLMKZJLOTEDN-GHTZIAJQSA-N	415.493	5.027	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	470252418	QECLNTAXQVIRQS-JWQCQUIFSA-N	412.489	5.309	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1	470776685	LJDSOINYRLNRCY-OAQYLSRUSA-N	414.461	5.079	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc1	470935963	YOUYDMYOYPMKPS-FQEVSTJZSA-N	418.456	5.220	30	20	HKED	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c12	474448569	SHHXFHRCJOBOLI-KRWDZBQOSA-N	415.522	5.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccc(C)c1)Cc1ccccn1	475543371	DECRWWPHVAJGKP-UHFFFAOYSA-N	413.565	6.476	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1Cl	475986910	KTOUAGDECIFGRA-OAHLLOKOSA-N	400.787	5.665	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cs1	477714166	FQZHFYSQZOHBIJ-UHFFFAOYSA-N	408.552	5.041	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)cc1	477913016	QPSHVRAMOGTMGY-HXUWFJFHSA-N	409.470	5.645	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccncc1	481360549	UQPMPIKIUIHQAB-UHFFFAOYSA-N	403.511	5.172	30	20	HKED	
C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(NC(=O)c2ccncc2)cc1	481661214	RZBMJWXMGCLYOK-BVZFJXPGSA-N	410.521	5.324	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482379040	BVFCTHKROCNPLB-XXFAHNHDSA-N	408.317	5.249	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CCC(C(F)F)CC1	483229298	OAKGZAZFCBOUBO-UHFFFAOYSA-N	418.378	5.572	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(F)c(OC(F)F)cc1F	491417894	USUDFSATXSZEQN-UHFFFAOYSA-N	408.804	5.501	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCC[C@H]1OCc1ccccc1	494076682	CXVLGGNWVDEUSN-SLYNCCJLSA-N	409.555	5.340	30	20	HKED	
CSc1ccc(N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	497427559	NDGBCBMFCSMXDR-UHFFFAOYSA-N	404.560	5.849	30	20	HKED	
COc1ccc2nc(N(Cc3ccccc3)C(=O)c3sccc3C#N)sc2c1	497991282	WAKCHNMYFZVSRI-UHFFFAOYSA-N	405.504	5.085	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	500247092	VCWKCADHAWIHII-GHMZBOCLSA-N	401.322	5.464	30	20	HKED	
C=CCN(CC(=O)Nc1c(C)cccc1CC)Cc1cc(Br)ccc1F	502188308	RXOROQYMUDVONL-UHFFFAOYSA-N	419.338	5.086	30	20	HKED	
N#Cc1ccc(C2=CCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1	502494413	JHTHQIMNDBPMBX-UHFFFAOYSA-N	411.292	5.204	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)o1	504105015	VPLWAYFMKORCPE-UHFFFAOYSA-N	418.783	5.237	30	20	HKED	
CCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1OC	505307284	CYSXKYNTTRQINE-CQSZACIVSA-N	413.688	5.049	30	20	HKED	
Cc1nc(CCC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)oc1-c1ccccc1	505531928	HMQZXYDWUNRVDM-QGZVFWFLSA-N	414.292	5.271	30	20	HKED	
CCN(C(=O)c1cc(C)nc2ccc(Br)cc12)[C@H](C)c1ccc(C#N)cc1	508940198	DAKFNKNXFSNXFK-OAHLLOKOSA-N	422.326	5.401	30	20	HKED	
CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)CC1	509364182	KDLRZJHCTGCYQC-VLGSPTGOSA-N	411.505	5.471	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c(Cl)c1	510188830	FLYMUPHXYSXBNS-OAHLLOKOSA-N	407.926	5.701	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccc(F)c2)C2CC2)cc1	510663136	NGZNXAZAFVKTNI-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	517345276	FUIJTUWEGAYQIA-BJKOFHAPSA-N	412.489	5.082	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(C)c2c1	517533184	UWQMQYXCQPEOQT-GOEBONIOSA-N	423.538	6.027	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C)c1	518382137	QNQLIJQIDMVQMJ-QGZVFWFLSA-N	417.534	6.197	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)cs3)n2)cc1	519315721	DGUCBUMYJUWNRD-ZDUSSCGKSA-N	419.325	5.133	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	520656593	DHVMZDUIPFYXRF-OAHLLOKOSA-N	420.431	5.186	30	20	HKED	
Cc1c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)oc2ccccc12	522339936	GZIFHIMDNFPZJZ-UHFFFAOYSA-N	412.514	5.835	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)c1occc1COc1cccc(C#N)c1	523951489	ZSBVTYCDIAKZJP-UHFFFAOYSA-N	414.461	5.311	30	20	HKED	
N#CCc1cccc(C(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)c1	524834574	PUZHKGMYPSYOSA-UHFFFAOYSA-N	401.554	5.722	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl	525415960	DRORPVYVPPZMIO-IIYDPXPESA-N	403.910	5.408	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2cccc(-c3nnc(C)o3)c2)C(C)(C)C)cc1	527034871	NLFRIEDZYGFPHW-UHFFFAOYSA-N	405.498	5.051	30	20	HKED	
N#CCCn1cc(CNc2nnc(CC3CCCCC3)s2)c(-c2ccccc2)n1	538591719	FUICQJVVWDHRHW-UHFFFAOYSA-N	406.559	5.050	30	20	HKED	
C=C(CC)CNc1cccc(NC(=O)c2ccccc2I)c1C	540200224	MTZHXBOJTWDTNY-UHFFFAOYSA-N	420.294	5.230	30	20	HKED	
CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1c(C)nn(C)c1C	541119204	CFIFBEPPFXLPNH-QMHKHESXSA-N	415.541	5.087	30	20	HKED	
COC1CCC(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1	542634218	LLVMNKFTLDBMBY-UHFFFAOYSA-N	407.514	5.376	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(N2CCOCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1	543961464	KZIZDJFZXBKNGK-LEWJYISDSA-N	411.549	5.474	30	20	HKED	
COCC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)c(Cl)c1	551333597	YBRIUWURAPNADX-LJQANCHMSA-N	403.309	5.056	30	20	HKED	
N#CCc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	555526935	MISDLCYIBWOIDL-UHFFFAOYSA-N	407.813	5.359	30	20	HKED	
C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC[C@@H]1c1csc(C)n1	558453021	VHYITEOGCDOGNA-OAQYLSRUSA-N	401.539	5.391	30	20	HKED	
COc1cc(Br)ccc1[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F	564009949	ABMGNVOFMGLLFH-NSHDSACASA-N	413.237	5.199	30	20	HKED	
CCc1cccc(Oc2cc(-c3noc([C@@H](C#N)Cc4ccc(C#N)cc4)n3)ccn2)c1	566822419	KDSMQMHBSNJTCW-OAQYLSRUSA-N	421.460	5.208	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1	573075668	HYDZWZHWORYLSB-DOTOQJQBSA-N	407.436	5.019	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C	577544682	AEXIYVYOQLONAO-ICSRJNTNSA-N	420.582	5.147	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)c1	577775345	XNJALZCKXODZRW-UHFFFAOYSA-N	417.612	5.183	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2CC#N)ccc1OCc1ccc(Cl)cc1	584785652	VUQKODJCHCMOHP-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1	589740132	KULLFQRXKMEEIP-UHFFFAOYSA-N	407.539	5.663	30	20	HKED	
N#Cc1cccc(NCc2cccc(F)c2OCC(F)(F)F)c1Br	600851623	KAIDCTSUGYPBHZ-UHFFFAOYSA-N	403.173	5.013	30	20	HKED	
Cc1nc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2s1	602704079	CALRXDORZHFRFP-UHFFFAOYSA-N	415.543	6.021	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCSc4c(F)cccc43)cn2)c1	603691735	BANMTEBZHMCJMY-LJQANCHMSA-N	420.469	5.243	30	20	HKED	
Cc1cc(Br)ccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603960382	PLSXSHASWVKTPC-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)n1	604116811	CWSOPEYPEMUPPI-UHFFFAOYSA-N	411.577	5.346	30	20	HKED	
CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C#N)c(Cl)c1	604493800	RBXXAZLPDOJMTP-LBPRGKRZSA-N	416.852	5.002	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)o1	609065320	TYMAHMGNBJUXBD-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COC(C)(C)C)c1	609435853	ACWAWMLEOBVUPQ-QGZVFWFLSA-N	411.571	5.718	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1	609724510	WONJKABCIICBBF-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609928363	SDBCDYJPLMLGPD-APWZRJJASA-N	416.456	5.295	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(-c3cccc4ccccc34)o2)c1C#N	610166495	IGUJUEQMERULSD-UHFFFAOYSA-N	423.501	5.548	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1	610226766	BASHDBONIVGSCF-UHFFFAOYSA-N	400.444	5.438	30	20	HKED	
COc1ccc(COCc2cccc(NCc3ccc(C(C)(C)C#N)cc3)c2)cc1	614056136	GLTJGORLDQQPHB-UHFFFAOYSA-N	400.522	5.825	30	20	HKED	
C=CCC(C)(C)C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	645364686	SUWBSQGLVULRDN-JOCHJYFZSA-N	411.590	5.304	30	20	HKED	
Cc1nc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)co1	669960012	DHKZROKXXDBBBF-LLVKDONJSA-N	420.231	5.054	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1	675627542	LNMLGEQNPWTOJS-NXEZZACHSA-N	423.275	5.225	30	20	HKED	
C=C(C)COc1cccc(NCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)c1	676322573	FHURLFXLGSSBMO-UHFFFAOYSA-N	411.502	5.534	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nccc2ccccc12	682995233	RRBYRAFAYFLRAN-KRWDZBQOSA-N	423.419	5.867	30	20	HKED	
Fc1ccc2nc(CNC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)sc2c1	683200449	IGCSFHCIPBSOTC-IUCAKERBSA-N	400.363	5.435	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n1	726318038	ABFGETFDQNXWRX-CQSZACIVSA-N	407.442	5.013	30	20	HKED	
C#CC[C@@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccn1	727775251	DCGZDPOAZWFNAW-QGZVFWFLSA-N	402.397	5.145	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(Cl)cc1	727978571	IXTMOBWBBLKPFX-UHFFFAOYSA-N	407.926	5.908	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	728183200	FONUMVQLEWGQBM-UHFFFAOYSA-N	413.408	5.321	30	20	HKED	
CCc1cc(C#N)c(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)s1	729652968	CRCSIYFNQRWVBL-GOSISDBHSA-N	413.543	5.167	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc2ccccc2n1CC#N	729767330	DJIZQQHVHFSUCJ-UHFFFAOYSA-N	417.509	5.207	30	20	HKED	
N#Cc1ccc(CNC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	729832774	LRPNOJMCURSRHE-RQOWECAXSA-N	416.296	5.065	30	20	HKED	
Cc1cc(COc2ccc(/C=C3\CCOc4ccc(F)cc4C3=O)cc2)oc1C(=O)O	729936692	GBOUHPRRNTWMCP-LFIBNONCSA-N	422.408	5.053	30	20	HKED	
Cc1ccc(S[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)c2ccccc2)c(C)c1	730071363	KZEPBWHYSFKTEW-NTKDMRAZSA-N	412.514	6.155	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H]1c1cccc(Br)c1)c1ccncc1	734678511	HKKRPYOQHZWTCG-RBUKOAKNSA-N	400.320	5.008	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3Cl)[nH]c12	735791002	SUAGJNAFCHLQGW-AWEZNQCLSA-N	402.281	5.214	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	739156827	QWJBEBVWUOBADO-DOMZBBRYSA-N	421.369	5.820	30	20	HKED	
COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1Cl	741458394	YMFDFLKFDULRFY-UHFFFAOYSA-N	413.717	5.085	30	20	HKED	
CCn1nc(C)c(/C=C\C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)c1C	743055904	MTRTUZNKGRPLIO-CLFYSBASSA-N	403.313	5.217	30	20	HKED	
CC(C)C(Cc1ccc(F)cc1)=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	743440345	JGLARCCORCGRKJ-UHFFFAOYSA-N	417.410	5.363	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@]12CCc1ccccc12)c1nc(-c2c(F)cccc2F)cs1	744074232	KBLDDQGHZGKDGF-GTAYFMOCSA-N	406.457	5.169	30	20	HKED	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	747790962	HBRJNPSMFHUVFY-PXDATVDWSA-N	421.541	5.222	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCCOCc2ccccc2)cc1	747976108	QDLZKTNWULONGK-VWLOTQADSA-N	413.521	5.461	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)s1	749004648	FRELAMVEIAHLLL-RAXLEYEMSA-N	403.569	5.053	30	20	HKED	
CSCC(=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccccc1	749443699	JBRQVGWEXNMABG-UHFFFAOYSA-N	405.548	5.049	30	20	HKED	
C=CCC[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1	749942983	FWBDAKWEJDGGJQ-MOPGFXCFSA-N	403.400	5.131	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	750396412	XIWMGPQFSOFWTJ-HNNXBMFYSA-N	423.881	5.439	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3cc(C)sc3C)n2)cc1	753397616	UYXHGTIERAPIJI-IBGZPJMESA-N	410.564	5.696	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	754718339	AUCVAPDJVFNSMA-LURJTMIESA-N	406.763	5.026	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccc(Cl)c(F)c2)nnc1-c1ccccc1C	759046068	DPLXRAGTUJMYMK-SFHVURJKSA-N	403.910	5.058	30	20	HKED	
CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(F)cc1OCC#N	760800288	GUPUDXPCOBONJX-UHFFFAOYSA-N	423.410	5.235	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)[nH]c12	762062840	ABKQHFGWPWWIFL-DYESRHJHSA-N	407.473	5.082	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2s1	762534579	VUVWZWVUWLCVGZ-KBPBESRZSA-N	413.593	5.810	30	20	HKED	
CCCc1c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1-c1ccc(C)cc1	763857106	RNSKLIIBZOBSQW-KRWDZBQOSA-N	403.486	5.068	30	20	HKED	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	765591517	WJDNWSWJTQBPGL-PXNSSMCTSA-N	419.506	5.472	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](c1ccccc1)C1CC1)c1nc2cc(C(F)(F)F)ccc2s1	765915120	JJXKBQZBCXAOSR-YJBOKZPZSA-N	400.425	5.685	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CC=C(c3ccccc3Cl)CC2)c1=S	768472513	WAJLNKVWPBEBPT-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
C[C@@H](Oc1cccc2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	774065796	SWLJSPRMFRMWKS-IIBYNOLFSA-N	423.497	5.479	30	20	HKED	
COc1cccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c1	776164638	UZBRUMRMDLVPRF-OSPHWJPCSA-N	406.913	5.691	30	20	HKED	
C[C@@H](N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccc(OCC#N)cc1	776171774	PVTGDWGGACTKGY-XCLFUZPHSA-N	408.851	6.063	30	20	HKED	
CC(C)N1CC[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1	777308951	HVXXUJXEJMCSEW-IRBZQWRBSA-N	415.940	5.256	30	20	HKED	
Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C	781310949	WPQIEQVLUWEVDY-HNNXBMFYSA-N	416.930	5.147	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C	782549152	LOKAZXPARARFOU-QGZVFWFLSA-N	412.493	5.375	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2csc(Cl)c2)cs1	787185947	KGNSGXOMDWUJSQ-VMPITWQZSA-N	402.928	5.747	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nccc2ccccc12	792094012	LRZZYJRZKKZTCB-GOSISDBHSA-N	411.324	5.107	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1	796798980	OTHSZVOLMNYSPC-UXLLHSPISA-N	416.399	5.105	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)OCCCC2(C#N)CCOCC2)c2ccccc2)c1	800165707	WCVAPZNVKBUUOZ-XMMPIXPASA-N	421.537	5.574	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CC2	815911366	ZPYIRGFSFAFCNG-DLBZAZTESA-N	408.910	5.378	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)OCc1cn2ccccc2c1C#N	817999833	XTYSWWUPWANOCT-UHFFFAOYSA-N	417.490	5.065	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	914882819	XHODJKAEUNXODS-UHFFFAOYSA-N	422.484	5.707	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)cc1	915353480	NTHOETNMDGMCEY-LOSJGSFVSA-N	411.505	5.623	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(Cl)c1	916272652	GINARAQJCRAOOK-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2ccc(F)cc2s1	916927795	OALYEBDBXUVBEE-LBPRGKRZSA-N	407.253	5.308	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1	917042948	IIUOMVGWYIHPSK-LLVKDONJSA-N	414.861	5.839	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2cccc(OCC(F)(F)F)c2)cc1	918155199	DVPMXKIIOKDITN-WDZFZDKYSA-N	406.404	5.054	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	918680721	UYYRKNGGHSOIOK-UHFFFAOYSA-N	419.893	5.872	30	20	HKED	
COc1ccc2cc(C(=O)/C=C\c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccc2c1	920062969	KYWGIBHUJZKBRT-WQLSENKSSA-N	413.433	5.053	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2sc3ccccc3c2s1	920102264	RLGBCASVVGPUSF-HNNXBMFYSA-N	414.511	6.111	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920139101	NFAPOICEHCZTKM-IFXJQAMLSA-N	424.547	5.184	30	20	HKED	
CCOc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920143593	RWXRVYUWMXVTEY-IBGZPJMESA-N	424.547	5.186	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1	1804865188	FVFOMFWYRHSLBM-UHFFFAOYSA-N	416.993	5.177	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	6734474	JQODQUYRCMUTMS-UHFFFAOYSA-N	408.552	5.252	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccc(Cl)c1	14069086	SSLGHUIPUGSBCF-UHFFFAOYSA-N	412.946	5.132	30	20	HKED	
Cc1ccc(OCc2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cc1	31621005	COCCQUYWNXJDAI-UHFFFAOYSA-N	413.502	5.788	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2noc3ccccc23)cc1Cl	46861771	YRXUWBWOCDAEPH-IBGZPJMESA-N	401.853	5.318	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	60461819	NFRSJLOXVAMWBG-UHFFFAOYSA-N	417.412	5.184	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N	78720043	JWHKIJUYPHKDLW-OAHLLOKOSA-N	407.564	5.689	30	20	HKED	
COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(OCCCC#N)c2)c1	110431089	XOPAUIHQTMNOIV-DEOSSOPVSA-N	413.477	5.149	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCCc1ccc(Br)s1	195629350	VEIGPDMLUDRYLC-UHFFFAOYSA-N	407.333	5.131	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(OCc2ccccc2)cc1	303284851	VNTJLSQRXGMXAQ-HXUWFJFHSA-N	411.288	5.567	30	20	HKED	
Cc1c(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)sc2ccc(C#N)cc12	426420693	OKMIKVUNUQFTLZ-UHFFFAOYSA-N	400.463	5.147	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)c(F)cc1F	428715936	ADOVPJKGAHPWKK-JTQLQIEISA-N	411.271	5.374	30	20	HKED	
N#CCCn1ncc(C(=O)NC2CCC(c3ccc(F)cc3)CC2)c1-c1ccccc1	429092228	UHHQDPWVRCHALR-UHFFFAOYSA-N	416.500	5.059	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c1	430742167	OCFAKUWSBLWNBF-UHFFFAOYSA-N	411.486	5.895	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)C3CCC(C(F)(F)F)CC3)c2)c1	435539973	NQAXCMJVNQHFLC-UHFFFAOYSA-N	402.416	5.444	30	20	HKED	
CC(C)[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCS1	437769845	FBZNRSYYPMQRIO-TZIWHRDSSA-N	413.974	5.601	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl	438040816	KJBJTTTWSUIEJC-HZPDHXFCSA-N	413.974	6.492	30	20	HKED	
C[C@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1	462544762	NXDASHZTUZZEMI-YVEFUNNKSA-N	414.349	5.490	30	20	HKED	
CC(C)(C#N)CCSc1nnc(COc2ccccc2Cl)n1-c1ccccc1	463045158	RAFDRKXQDIPYFB-UHFFFAOYSA-N	412.946	5.532	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)c1cccc(C#N)c1	464275915	PNNYURCXMNPKBJ-AWEZNQCLSA-N	420.900	5.661	30	20	HKED	
CC(C)[C@](C)(C#N)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	464553944	WLMWXXQUSMCALT-IBGZPJMESA-N	403.891	5.067	30	20	HKED	
O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1CCC[C@H](C(F)(F)F)C1	464724061	PKWLACACAZCJDW-QWRGUYRKSA-N	423.332	5.337	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1	465417885	RBXIEPSPGLDVBD-HXUWFJFHSA-N	406.445	5.036	30	20	HKED	
C=CC[C@@H](CC)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	466379027	UWPYJTYONZFWAO-OAHLLOKOSA-N	423.410	5.573	30	20	HKED	
Cc1ccccc1-c1cccc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)c1	468854109	GAONVEFIEHRWAM-UHFFFAOYSA-N	409.533	5.857	30	20	HKED	
C=CC[C@@H]1N(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CCCC1(C)C	470302489	MANPVYGKDBWNET-HRTMPFAESA-N	402.623	5.225	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CNc2cccc(COC(C)(C)C)c2C)c1C	470532633	PPASRFKGIWGAHW-UHFFFAOYSA-N	407.558	5.286	30	20	HKED	
CC(C)(C)OCc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1	471755983	HFIHHHBPSGYKBK-IBGZPJMESA-N	423.900	5.551	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1Oc1ccccc1Cl	473760537	KCEZZKWBOWJJBV-UHFFFAOYSA-N	406.873	5.475	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1	473808445	OTHXBRYQTQJYHX-UHFFFAOYSA-N	420.900	5.262	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)c1nnc2n1CCCCC2	473946385	QEYVUWSJINMEQK-QGZVFWFLSA-N	424.863	5.079	30	20	HKED	
COc1ccc(C2(CNC(=O)C[C@H](CC#N)c3ccccc3)CCCCC2)cc1OC	476061009	KMOSPBMTOOHPKD-NRFANRHFSA-N	420.553	5.109	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1	476094147	XJKOAUASLFCEKO-GOSISDBHSA-N	420.582	5.398	30	20	HKED	
Cc1ccc(CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C(C)C)s1	479170903	VKSPFFGWKRREJY-UHFFFAOYSA-N	411.571	5.238	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C(C)C	479574362	NQLFZSPZHAGMEY-UHFFFAOYSA-N	422.558	5.370	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	480385310	PTMSMUYIPWYEEL-KRWDZBQOSA-N	406.935	5.179	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	480385950	AUYPLUADFUIDGE-UHFFFAOYSA-N	424.353	5.167	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC)c1ccc(F)c(F)c1	481109580	LTODYAKRPNQWCG-JOCHJYFZSA-N	413.468	5.093	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nc2ccccc2s1	483305516	BZJTVCUEKREDRB-MRXNPFEDSA-N	406.413	5.857	30	20	HKED	
CC(C)n1nccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	483438959	LCPYEPBVZHEXAK-CYBMUJFWSA-N	405.310	5.384	30	20	HKED	
Cc1ccc2c(c1)CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)C2	483709659	GACWMYJEGHPZKY-UHFFFAOYSA-N	415.468	5.175	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C	486238848	DNSZOCCGCSMVGL-QGZVFWFLSA-N	408.567	5.398	30	20	HKED	
COCc1cccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	488685794	OJAATOILXIKGNE-JOCHJYFZSA-N	404.897	5.323	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2SC)nnc1-c1ccccc1C	488885488	FFUFMIMLRTUXJG-UHFFFAOYSA-N	424.595	5.282	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1	490418656	GWXVXZZKFYEDRY-UHFFFAOYSA-N	408.405	5.037	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)NCc2cccc(C#N)c2)c(C(F)(F)F)c1	490737354	WEWQMJTZNYHHHH-ZDUSSCGKSA-N	407.461	5.789	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1	499491268	NWWYNXRIFOFMSC-AWEZNQCLSA-N	403.429	5.005	30	20	HKED	
COc1cccc(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	500759592	PXMFTDYEBQKXKO-UHFFFAOYSA-N	404.491	5.398	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OCC)cc1C	502680169	OGNAFNZGLBENIH-UHFFFAOYSA-N	421.310	5.515	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCCCc3nc4ccccc4s3)CC2)cc1	503874329	NQOFIJAOCBBEEF-UHFFFAOYSA-N	401.535	5.197	30	20	HKED	
Cc1ncc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	510005289	KFCJAEASCDRYMV-IBGZPJMESA-N	410.930	5.424	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N(Cc1ccccc1Br)C1CCCC1	513113931	URZHNZWCXMXGRO-UHFFFAOYSA-N	406.368	5.233	30	20	HKED	
CCc1ccc2occ(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2c1	513754642	MGSQDYRLOXBDFV-HNNXBMFYSA-N	417.490	5.074	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2C#N)C1	514487020	HHZHUUNJRUCEHW-ZDUSSCGKSA-N	409.486	5.110	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccc(Cl)cn1	516380961	READWFBNOVHZTA-HNNXBMFYSA-N	406.873	5.147	30	20	HKED	
C=CCN(C(=O)c1ccc(-n2ccc(C)n2)cc1)c1nc(-c2ccccc2)cs1	517299874	CFPKDUDNZUWGBI-UHFFFAOYSA-N	400.507	5.137	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)Nc1ccccc1SC[C@H](C)C#N)c1ccc2ccccc2c1	518666754	ITPQXXUQUMCROM-CEXWTWQISA-N	417.578	5.769	30	20	HKED	
COc1ccc(-c2nc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1	520889933	XOIBKDUWMXMKCP-HNNXBMFYSA-N	418.305	5.120	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(CCc3cccc(F)c3)C3CC3)c2)c1	522303209	TZEZSEZQDJHDCU-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCC1CC1)c1nc(-c2c(F)cccc2F)cs1	522473573	ZPLZFHKPNADNKF-HNNXBMFYSA-N	410.445	5.367	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(Cc3ccccc3)no2)n1	525004209	DLJSCRXOFAPOGI-LBPRGKRZSA-N	404.417	5.108	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CC1	525344112	QZKJDQMSWYZBJA-UHFFFAOYSA-N	419.447	5.270	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4c(Br)cccc43)ccc21	527292900	OUCYNYGTNBQZQO-HXUWFJFHSA-N	424.342	5.131	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1cccc(Cl)c1	532473175	HKUCBUVFZMJSLD-UZLBHIALSA-N	413.974	5.367	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1cc(Br)ccc1F	533941112	GLQMBCXJDUZFDX-CYBMUJFWSA-N	421.335	5.411	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1	534910912	FTRATYLUJBONMZ-UXHICEINSA-N	410.517	5.502	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC34CCCCC4)c2)c1	536284799	HEFSSCQQVAXUCL-UHFFFAOYSA-N	402.498	5.141	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccnc1)Cc1ccco1	537929140	UTIHHXGFHIXRBJ-KRWDZBQOSA-N	406.511	5.303	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3COC(C)(C)C)n2)cc1	539146465	FCLQNNURFYTFGX-HXUWFJFHSA-N	404.535	5.924	30	20	HKED	
CCC[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F	539325612	OJYKZDRWVFHKLB-DNVCBOLYSA-N	417.525	5.429	30	20	HKED	
C[C@@H](CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nccs1	543378114	GUVHBTQEUPVTKC-INIZCTEOSA-N	407.564	5.183	30	20	HKED	
C=CCOc1c(Br)cc(CN(C)[C@H](C)c2ccncc2)cc1OCC	544600394	RLPGHAYAVRJRAN-OAHLLOKOSA-N	405.336	5.001	30	20	HKED	
COC1CCC(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1	546746125	BUOVUXCLXNUSLY-UHFFFAOYSA-N	423.532	5.004	30	20	HKED	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCOCCC#N)nnc1-c1cccs1	549013571	ZDRUUMZAYNJZGR-QAETUUGQSA-N	402.589	5.026	30	20	HKED	
C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(C1)OCc1ccccc12	549218509	VEUYKJXQZORBIQ-GJZUVCINSA-N	414.553	5.032	30	20	HKED	
CC(C)(CNC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)C(F)(F)F	554761224	MPJOCHVHMNXXGG-UHFFFAOYSA-N	414.365	5.264	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC	555079763	MOZUHBHZBLGXJP-UHFFFAOYSA-N	423.856	5.059	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1	561241364	RXEJLSZWIMYWEN-UHFFFAOYSA-N	405.464	5.119	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC4(CCCC4)CC3)cc2F)c1	562003825	QASVUDMDNGZHEW-UHFFFAOYSA-N	407.489	5.464	30	20	HKED	
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	562133167	ZHARDPYGVAMUML-LPHOPBHVSA-N	424.932	5.094	30	20	HKED	
CC(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(C)(C#N)CC1	563825026	MIOHLQOIZZXXQW-IBGZPJMESA-N	417.557	5.357	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCC1(F)F	567967027	GIPDUSRONLDCJG-ZDUSSCGKSA-N	405.832	5.513	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)o2)cc1	574792671	WPCAUEWDJMUANJ-UHFFFAOYSA-N	420.774	5.655	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1c1cccs1	584378952	FXCUASCZLSJAMA-INIZCTEOSA-N	400.935	5.196	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1	588894865	VCPWYDPKWWLPOJ-UHFFFAOYSA-N	413.477	5.033	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1	589727173	MMWIERIAWBZJKQ-QFIPXVFZSA-N	417.553	5.302	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	589740995	PDLAARUERRTHCR-NHAGDIPZSA-N	424.385	5.673	30	20	HKED	
CCC(CC)c1nnc(NC(=O)c2ccccc2Sc2ccccc2C#N)s1	603458751	NRXYXRKSTMDELA-UHFFFAOYSA-N	408.552	5.717	30	20	HKED	
Cc1nn(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)c(C)c1Cl	603527378	KLDXAUILQYCZOR-UHFFFAOYSA-N	406.917	5.065	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	603957726	HUYONMYNHHIDJX-UHFFFAOYSA-N	415.468	5.201	30	20	HKED	
C=CCCCN(C)C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	605931915	YHTBQOPOFMFLCE-UHFFFAOYSA-N	407.301	5.071	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NCC2(c3ccc(Cl)cc3)CCC2)c1	608882599	ZFHNBBYBLXMBOW-UHFFFAOYSA-N	420.896	5.235	30	20	HKED	
Cc1csc(CCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	608908861	SXIBPTFTEQXSGX-UHFFFAOYSA-N	421.591	5.368	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	608918079	KQTBZSQIRBSNGT-QFIPXVFZSA-N	423.969	5.983	30	20	HKED	
N#Cc1cc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)ccc1F	609103011	GQADGOOGBCCPEF-UHFFFAOYSA-N	420.494	5.100	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609105184	VHBBCUSVLWZUCW-UHFFFAOYSA-N	402.425	5.093	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C	609189335	HVOHVBPDDUZMQM-UHFFFAOYSA-N	409.578	5.164	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl	609377405	UKHLDEYDXIXXIZ-LLVKDONJSA-N	421.374	6.712	30	20	HKED	
C[C@H](Oc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609377869	ICVLFEYUBNOPDG-LBPRGKRZSA-N	412.408	5.256	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(C(C)(C)C)n1	609389461	QQBSOCHJZIKPDB-CQSZACIVSA-N	419.641	5.564	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)CC3	609401857	CEVQXRSLUPEJLD-MRXNPFEDSA-N	404.539	5.318	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1C	609435259	BIPJGEQDFTWWFM-IBGZPJMESA-N	423.582	5.773	30	20	HKED	
C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	609451412	GQPBZJBDCDTQAJ-OPAMFIHVSA-N	419.912	5.926	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	609781536	NLEQZMKPYFAEDF-UHFFFAOYSA-N	409.467	5.669	30	20	HKED	
N#Cc1ccc([C@@H](Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)C(N)=O)cc1	610088042	QKMLYIRHQPJETC-HXUWFJFHSA-N	411.383	5.008	30	20	HKED	
C[C@H](NC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1cccc(C#N)c1	610348140	POAAPUPYGIVWHY-IRXDYDNUSA-N	403.457	5.611	30	20	HKED	
COc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1Cl	610361742	JPFLVMLTVPXUMP-INIZCTEOSA-N	420.896	5.290	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1cccc(C#N)c1	610362413	RLEAHSCBCAFOEY-ZDUSSCGKSA-N	412.276	5.543	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(CC3CC3)c2)cc1Cl	610584152	KQFUPJPWCYETNU-HXUWFJFHSA-N	405.889	5.246	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(C)(C)[C@@H]1CCCCO1	610718087	JEPJECBEMGUYGO-QHCPKHFHSA-N	421.541	5.163	30	20	HKED	
N#C[C@]1(F)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CCC3)C1	615661531	IECFITXPDPIEAP-KROBSHITSA-N	417.509	5.251	30	20	HKED	
O=C(c1cc(Cl)c(F)cc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	645116584	GWMIGSYPQHKTOT-RNFRBKRXSA-N	412.132	5.335	30	20	HKED	
Fc1cc(Br)cnc1N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	681377479	JCKWKGXELQHWGM-QMSLJYSESA-N	409.143	5.305	30	20	HKED	
Clc1ccccc1Nc1nc(Cl)c(C=Nn2cnnc2-c2ccccc2)s1	725856733	XSTMHYYRCAIUPX-UHFFFAOYSA-N	415.309	5.334	30	20	HKED	
CCc1ccc([C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	727953306	DQKZTVRIBINRFZ-SCLBCKFNSA-N	402.466	5.015	30	20	HKED	
CCN(CC)c1ccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2CC)cc1	729240616	GSRNIRIXXXOGKR-UHFFFAOYSA-N	421.570	5.006	30	20	HKED	
N#CCOc1ccc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1	729241761	AALZUWCUONJWKZ-UHFFFAOYSA-N	424.957	5.908	30	20	HKED	
CCCc1ccc(N2C[C@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2=O)cc1	731332384	KFKKZSXHOSLKQI-IEBWSBKVSA-N	421.566	5.025	30	20	HKED	
Cc1ccc(COc2ccc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)cc2)cc1	731563727	SKMQTFOYFZQWAC-WQLSENKSSA-N	413.395	5.590	30	20	HKED	
Cc1ccc(C)c(Sc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)c1	731957882	CFPVYDCMHGZPFE-UHFFFAOYSA-N	402.519	5.538	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Cl)ccc1Br)c1cccc(Cl)c1Cl	733153454	YJPJNSNYMRJVQT-ZDUSSCGKSA-N	418.505	5.404	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCC(O)CC2)cc1	734235841	WNQNSKIZNIQPCT-YFHOEESVSA-N	424.953	5.321	30	20	HKED	
FC(F)Sc1ccc(NC(=S)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1	735247012	RAWVTEPAYSQBMT-UHFFFAOYSA-N	424.382	5.515	30	20	HKED	
N#C[C@H](C(=O)CC/C=C/c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	739157776	WXVMESTYYSCAFB-KZJSRBBCSA-N	400.425	5.985	30	20	HKED	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)Cc1ccc(OCC#N)cc1)CCO2	741802010	QAKMZJRUIFWRJC-VWLOTQADSA-N	414.505	5.124	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	743125056	ZHQZGKFNQLAMMC-OAHLLOKOSA-N	424.501	5.187	30	20	HKED	
C[C@H](NC(=O)c1ccsc1NC(=O)c1ccccc1Cl)c1cccc(C#N)c1	743777915	ZILBCZARUJUKMJ-ZDUSSCGKSA-N	409.898	5.016	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C\c2c(OC(F)F)ccc3ccccc23)c1)C(=O)O	745020509	FZWIPFWJCGWXOT-IWMPZKFUSA-N	412.388	5.189	30	20	HKED	
C=CCc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)cc(OC)c1O	747061327	GTDFULWKFZICKN-SOFGYWHQSA-N	406.450	5.349	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)cs2)cc1	750403426	LCFUCUVOANYGPW-KRWDZBQOSA-N	424.497	5.277	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4ccccc4n3)n2)cc1	752173453	DQTCVOZWJCWHGK-IMTHGLKYSA-N	411.486	5.257	30	20	HKED	
CCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)o1	752238863	YEBVWYKGBHXEBX-YVMONPNESA-N	402.422	5.157	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(OC)cc1	752484921	YZQCNJZAZROTOZ-LAUBAEHRSA-N	415.518	5.451	30	20	HKED	
CCCCSc1ccc(Cl)cc1C(=O)N[C@@H](C#N)c1cccc(OC)c1OC	754411848	ZSWMVHJCGAVLMB-KRWDZBQOSA-N	418.946	5.244	30	20	HKED	
N#Cc1cc(F)c(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c(F)c1	756588576	GGPYEJLLMPHIOS-UHFFFAOYSA-N	416.383	5.024	30	20	HKED	
N#Cc1cc(Br)ccc1Oc1nc(-c2ccncc2)nc2ccccc12	759248605	PSXALQYILYPALR-UHFFFAOYSA-N	403.239	5.118	30	20	HKED	
COC(=O)c1coc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	766503639	XLEVNLNPBNAPIT-SREVYHEPSA-N	407.369	5.105	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1	767203416	BXUJICOAPLFGRS-UHFFFAOYSA-N	410.439	5.167	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1N[C@H](C)c1ccc(OCC#N)cc1	768264969	PDLFTZPINAPMTL-QGZVFWFLSA-N	419.912	5.976	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]2c2nc3ccccc3s2)cc1	771296366	MPEDUKHVHNLGOH-GHTZIAJQSA-N	418.566	5.077	30	20	HKED	
N#Cc1cc(NC(=O)C(=O)Nc2ccc3ccccc3c2)ccc1Oc1ccccc1	782802191	GZEJNVUYBIVCAZ-UHFFFAOYSA-N	407.429	5.081	30	20	HKED	
COc1cc(COC(=O)CC(C)(C)C(F)(F)F)ccc1OCc1cccc(C#N)c1	796417838	ZFLSHTVSILYRKE-UHFFFAOYSA-N	421.415	5.168	30	20	HKED	
C=CC[C@@H](OC(=O)CCc1nc(CSC)no1)c1ccc(Cl)c(Cl)c1	797554596	MFLTWUDZWJZUHS-CQSZACIVSA-N	401.315	5.033	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)ncc1Cl	808384758	JXDAGIXNWDJMPM-JTQLQIEISA-N	410.724	5.002	30	20	HKED	
CC(=O)c1ccc(C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c(F)c1	809127532	IAVZPERKJNVMGU-HNNXBMFYSA-N	408.269	5.508	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2ccc(C#N)cc21	810238770	MWUHOLKEGJNPTJ-GOTSBHOMSA-N	403.526	5.560	30	20	HKED	
CCc1nc2ccc(Cl)cn2c1C(=O)[C@@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1	813059786	HUNWWJWWXPPKGU-RDTXWAMCSA-N	422.916	5.025	30	20	HKED	
Cc1cc(C)c(N2C(=O)/C(=C\c3ccc(OCC#N)cc3)SC2=S)c(Cl)c1	814296704	FRDYZZWQVOTAMT-GZTJUZNOSA-N	414.939	5.265	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)c1	816061243	NRBNTMCQIKIHLH-LJQANCHMSA-N	418.371	5.095	30	20	HKED	
C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1F	863939522	BPQAEHNEPLNPEL-AWEZNQCLSA-N	422.843	5.202	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc([C@@H](O)C(F)(F)F)cc3)c2)c1	864043323	IYRUONFPOPZZMB-JOCHJYFZSA-N	412.411	5.345	30	20	HKED	
N#Cc1cc(-c2nc(-c3cccc(Oc4ccccc4)c3)no2)cnc1C(F)(F)F	904589224	CCICYJDMDNBLRD-UHFFFAOYSA-N	408.339	5.481	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1	915087723	WVIDZBBASLCAKI-OAQYLSRUSA-N	421.294	5.122	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1	916911077	VJLCTMUHXDOFGK-JOCHJYFZSA-N	412.489	5.376	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917044289	SGAIABXYOKCZAO-IINYFYTJSA-N	424.831	5.612	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)c1	917047076	QPBMDGOZONAHGD-MRXNPFEDSA-N	423.950	5.801	30	20	HKED	
COc1cc([C@@H](C)NC(=S)Nc2ccccc2C#N)ccc1OCc1ccccc1	917585452	FGGBKBVNUBGYFW-QGZVFWFLSA-N	417.534	5.193	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc2c1O[C@H](C)C2	919893640	MRTXRNHUDUHRBQ-MRXNPFEDSA-N	414.461	5.243	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2)c1	920106567	SOUNBLIFVKCYBR-HSZRJFAPSA-N	422.484	5.569	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(C)ccc3C(C)C)n2)cc1	920138805	JYWVLQADTUGMOE-FQEVSTJZSA-N	420.534	5.506	30	20	HKED	
CC1(C)CCc2nc(O)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2C1	1340854012	FAEQEVCVWUCUKY-QFIPXVFZSA-N	411.505	5.210	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccs3)cc2)CCC1)C(F)(F)F	1788165338	BSDUKIKYNMRVFL-MDZDMXLPSA-N	420.456	5.014	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(OCC)c3)CCC2)cc1	1791730818	XONYBYUACGDTIR-UHFFFAOYSA-N	418.537	5.027	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1	1831373848	IDRINXDTTDGZIY-WIYYLYMNSA-N	416.993	5.094	30	20	HKED	
O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1	10830203	HAVRMQSRTFDEHS-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(SCc2cccnc2)cc1	11598656	PCTZQZNZSOHEGA-UHFFFAOYSA-N	414.490	5.190	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(N(C)C)cc2)c1	22730237	BPIKBZUVMMLMKY-UHFFFAOYSA-O	424.615	5.078	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1	24046150	BEPZBEPPBBXEHX-GFCCVEGCSA-N	403.939	5.318	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1CCC[C@H](C(F)(F)F)C1	44525658	GTJLNFVVHOSAGT-IUCAKERBSA-N	403.294	5.197	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Cl)cc2)cc1	48161359	LYGRMSPQMXQFAT-UHFFFAOYSA-N	405.885	5.307	30	20	HKED	
Cc1nn(C)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12	51155705	UISBQWFKRDKNID-CQSZACIVSA-N	412.927	5.210	30	20	HKED	
Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	57090086	SRPNTTOKMUOGIZ-UHFFFAOYSA-N	413.477	5.272	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	60722060	VLNXMPPRUJYOPW-HXUWFJFHSA-N	420.896	5.655	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)CC2	62223829	FMEXZWGCAYSLSJ-UHFFFAOYSA-N	414.530	5.058	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	78720031	YSKFJYYVBIXSEM-UONOGXRCSA-N	408.445	5.506	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)s1)[C@H](C)c1ccc(C#N)cc1	97174695	MFGXXUOUMZLYQU-MRXNPFEDSA-N	418.522	5.487	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2c(C#N)cnc3ccc(Cl)cc23)ccc1OC	301391452	HFCLCDTVPDSRGE-QGZVFWFLSA-N	406.873	5.062	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccnn3CCc3ccccc3)c2)cc1	303209897	QVQOWFFPTQUTAK-UHFFFAOYSA-N	408.461	5.042	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	303382217	MUDUUEBRCQYBRX-CVEARBPZSA-N	401.963	5.223	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1c(C)cccc1-c1nc2cc(F)ccc2n1C(C)C	303958231	YHYJJFBQXNIYKA-QGZVFWFLSA-N	409.505	5.651	30	20	HKED	
C=CCCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1	410347731	QFUGGBCHCXTIBG-UHFFFAOYSA-N	402.947	5.011	30	20	HKED	
Cc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)ccc1NC(=O)c1ccco1	428064122	WPIRGICETSNIRM-UHFFFAOYSA-N	415.474	5.487	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)s1	430614618	ZJZPBJHRBZMZGE-INIZCTEOSA-N	406.555	5.549	30	20	HKED	
Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1	431887160	KHYJJAFDXANBAR-SIKLNZKXSA-N	424.976	5.209	30	20	HKED	
N#CCCC[C@H](NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1ccccc1	433019526	KCYRHYMCQGWZMF-XUZZJYLKSA-N	421.541	5.118	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)C(F)F)n(C2CCCCC2)c1C	433052498	MKUIDFAQXKSLCX-NRFANRHFSA-N	414.500	5.016	30	20	HKED	
COc1ccc2[nH]cc(CC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2c1	437477717	QQKSYPQQPBBMNB-UHFFFAOYSA-N	415.424	5.161	30	20	HKED	
Cc1cccc([C@H]2CCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C	438056190	QNWPNWHHYKRQEV-PGRDOPGGSA-N	407.583	6.457	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@H](C#N)c1ccccc1Cl	439087456	QRDLSHQWMQEGKK-MRXNPFEDSA-N	420.683	5.605	30	20	HKED	
CCc1cccc2c(C(=O)[C@H](NCc3cc(C#N)ccc3F)c3ccccc3)c[nH]c12	439632490	IGIXRQVAULDNOK-RUZDIDTESA-N	411.480	5.455	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1	460859518	DHGDUVVHHKZHJU-UZUQRXQVSA-N	404.897	5.404	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	463205555	VIAJYTGKLQUYNG-KRWDZBQOSA-N	411.571	5.533	30	20	HKED	
CC(C)CO[C@H](C)c1noc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)n1	466609798	MYPNWCMYRMXNSU-CQSZACIVSA-N	424.526	5.111	30	20	HKED	
CC(C)C[C@@H](CCO)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	467610468	KAVWCGMQUXLXNJ-UTKZUKDTSA-N	413.949	5.162	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3occc3COc3cccc(C#N)c3)c2)n1	470132237	KGLNBYOUHZVTQE-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C	471254662	WFDYEVOUGFCPPX-KSSFIOAISA-N	403.404	5.464	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1	471291456	FJIMNKBDMDDSFT-SUMWQHHRSA-N	419.403	5.164	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	471462479	NLWBZSNEQFUGOF-PBHICJAKSA-N	419.472	5.175	30	20	HKED	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1	474692191	CJSDZAMLHQATSF-ZDUSSCGKSA-N	424.298	5.029	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1cnn(Cc2ccccc2)c1	475555674	RIQPDQPXTUGMAL-IBGZPJMESA-N	402.542	5.666	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H](CC#N)c1ccccc1	475939737	PYDHDCUMZUZDLK-QHCPKHFHSA-N	411.480	5.627	30	20	HKED	
C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1	476399474	SAFVTHSUCQUNAK-ZWDAVXSWSA-N	400.444	5.702	30	20	HKED	
CCCCn1ccnc1-c1cccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1	478272037	ICKFKXWOALRTQX-UHFFFAOYSA-N	410.525	5.234	30	20	HKED	
CCCN(Cc1ccc(F)cc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479187388	LZTBSVVCLRJZBO-UHFFFAOYSA-N	409.505	5.009	30	20	HKED	
CCc1ccc([C@@H]2COCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1	480555259	NWHBQWPVBPMNMA-QFIPXVFZSA-N	417.465	5.111	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1ccc(Cl)cc1	483197312	KMYDHFXCPJMIMX-LJQANCHMSA-N	400.869	5.126	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3ccsc3)CC2)cc1	486525794	GKNOCVOMEQVISG-UHFFFAOYSA-N	403.507	5.824	30	20	HKED	
C[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1	487604281	OZCLMJQFGMNKJA-CPJSRVTESA-N	410.517	5.572	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(F)cc2C#N)c(Br)c1	488519105	YBTUMPBHFVLMBI-GFCCVEGCSA-N	407.308	5.029	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C(C)C)o2)cc1	489808073	NKMDSRGLLVKBNH-INIZCTEOSA-N	423.538	5.544	30	20	HKED	
COc1cc(C(=O)N(C)CC(C)(C)C#N)ccc1OCc1ccc(Cl)cc1Cl	497198063	IWQVIYREBJJXLQ-UHFFFAOYSA-N	421.324	5.203	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(COc2ccc(F)cc2)nc1C	499091057	YLONWGVPZMNKCM-UHFFFAOYSA-N	423.513	5.094	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(SC)c1	502660238	ISGLZYIDDQNRPR-UHFFFAOYSA-N	409.324	5.530	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2cscn2)c1	504087520	NZPIHKDDPYYIDU-UHFFFAOYSA-N	406.511	5.038	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c[nH]c2cccc(C)c12	504912460	WPHHYKYRKRZNLU-UHFFFAOYSA-N	409.489	5.417	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccncc2C(F)(F)F)cc1Cl	506458232	ADJRVUDJXOPFEY-QGZVFWFLSA-N	415.802	5.662	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCO[C@@H]1CCCc2ccccc21	506863287	KNJZDTYQALUODO-PGRDOPGGSA-N	423.582	5.687	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2cccc(F)c2Sc2ccccc2)cc1	510290630	ADGUSVYFVJKXTN-UHFFFAOYSA-N	406.482	5.145	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(F)cccc1F	511583577	AKETZZYZVTUALI-MRXNPFEDSA-N	421.447	5.493	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	511662134	HLKQKYUKWVXZML-LJQANCHMSA-N	417.534	5.063	30	20	HKED	
COc1ccc(C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)c2ccccc2)cc1OC	512661749	UBAHIPNKFHWNBP-SBUREZEXSA-N	404.485	5.349	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2C#N)C1	514487019	HHZHUUNJRUCEHW-CYBMUJFWSA-N	409.486	5.110	30	20	HKED	
N#Cc1c(NC(=O)CCCOCCc2ccccc2)sc2c1-c1ccccc1CC2	515625407	OTDQDZFLBXFUKB-UHFFFAOYSA-N	416.546	5.363	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	517646714	HBVJNRNZSWAQOR-MRXNPFEDSA-N	414.490	5.250	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	518255463	MXYCAFMIUJEVTH-MGPUTAFESA-N	401.963	6.253	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1Cl	520786898	NEHQHEBSMAFJRY-IFMALSPDSA-N	422.960	5.088	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc([N+](=O)[O-])cc1	522573512	YIISZUQIBWUIRQ-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1cccs1	523983146	BIBFNIXMAMYHQY-PXNSSMCTSA-N	421.591	6.248	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccoc3)C3CCCCC3)cc2)nc1	525029337	BJBDXDNNWRJSIO-UHFFFAOYSA-N	401.466	5.314	30	20	HKED	
N#Cc1cccc(-c2nnc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1	525624776	UKGBRCGBXMNLRM-UHFFFAOYSA-N	413.277	5.225	30	20	HKED	
COc1ccc(CNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1C#N	533005383	CLJHMSNPDADXNS-UHFFFAOYSA-N	415.371	5.043	30	20	HKED	
COc1cc(CN[C@H](c2ncccc2C)C(C)C)ccc1OCc1cccc(C#N)c1	533059992	GNFHFLVRFGYGFA-VWLOTQADSA-N	415.537	5.336	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C1CC1	535555090	WMLBIIDMKIUUBK-KBXCAEBGSA-N	420.538	5.354	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(C(=O)c2ccccc2)c1	536416897	UQBQHSPGOUYVRB-OAHLLOKOSA-N	420.415	5.133	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(F)c(F)c1	536941981	QXBIUOFBOHASNT-QFIPXVFZSA-N	423.419	5.138	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccccc1C#N	542569641	QTTNEVVCQNZDIC-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
Cn1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(C(F)(F)F)n1	542579776	RLVCYGSAENNJRQ-UHFFFAOYSA-N	420.778	5.009	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2csc(-c3ccccn3)n2)cc1	543127796	VAIZFETYXFTTAY-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
N#Cc1cccc(NC(=O)C2CCN(c3nc(-c4ccccc4Cl)cs3)CC2)c1	544150787	WULUSCSSTZTTJG-UHFFFAOYSA-N	422.941	5.190	30	20	HKED	
COc1c(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cnc2ccccc12	547141151	YDMCXRZGVLKMPW-UHFFFAOYSA-N	421.416	5.019	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CSc2cccc(F)c2C#N)cs1	555871440	XDGGPCISLIWATL-UHFFFAOYSA-N	401.463	5.270	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	566001426	AYKJNDIQLVYWQH-SFHVURJKSA-N	410.468	5.153	30	20	HKED	
CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	574682959	HGDVXQMVGGNSDN-UHFFFAOYSA-N	401.466	5.313	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)Nc1cccc(OCCCC#N)c1	576651336	ZHIOTFUSQYKINA-UHFFFAOYSA-N	400.482	5.307	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F	579054766	ILQKZJFSBBILMJ-UHFFFAOYSA-N	410.351	5.266	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC3(c4ccc(F)cc4F)CCC3)cc2)ccn1	582152156	JBMNNMFQVIRFEP-UHFFFAOYSA-N	420.419	5.225	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1	589739935	CNIDEHBOALKPNU-QGZVFWFLSA-N	407.539	5.663	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)N(CCC)[C@@H](C)c2cc3ccccc3o2)c1	589803882	IAQZOKZPVIHKKZ-SFHVURJKSA-N	420.509	5.326	30	20	HKED	
Cc1cc(-c2cccc(F)c2)nnc1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608080413	XSIITQRAEXRARE-BETUJISGSA-N	407.333	5.158	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1	608918341	RMQYDJXLEINKHC-UHFFFAOYSA-N	419.475	5.546	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)cc2F)c1	609104887	QAQOKVRZBMUCPP-ROUUACIJSA-N	420.406	5.584	30	20	HKED	
COC(=O)c1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1Cl	609126077	DOGIKDMZYCYMJB-UHFFFAOYSA-N	406.825	5.043	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)CCCCOc2cccc(C#N)c2)cc1	609497846	OBANJJQRJHMHIL-XMMPIXPASA-N	406.526	5.260	30	20	HKED	
Cc1cccc2sc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c(Cl)c12	609589046	KQNDSLXONBNFJM-ZDUSSCGKSA-N	419.731	5.620	30	20	HKED	
CC(C)c1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)on1	609626623	NKDZOJBRJDIFQD-IBGZPJMESA-N	408.889	5.429	30	20	HKED	
Cc1cccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C	609682831	DMTLNRYJRRRVMA-JOCHJYFZSA-N	400.482	5.573	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)c1ccccc1Br	609821694	RRVYCXOZUNFXMW-FQEVSTJZSA-N	406.283	5.187	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1	610356255	MYXIZDJKKJFWQS-AVRWGWEMSA-N	411.505	5.033	30	20	HKED	
Cc1sc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nc1-c1ccc(F)cc1	611093695	HXIWTSCZVLJIHQ-UHFFFAOYSA-N	406.269	5.688	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	611203020	LJEIRIOPESUUSM-UHFFFAOYSA-N	420.450	5.018	30	20	HKED	
CC(C)(C#N)c1ccc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1	614058679	NBYMCTCXIDBCMK-UHFFFAOYSA-N	410.583	5.347	30	20	HKED	
C=CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	645364687	SUWBSQGLVULRDN-QFIPXVFZSA-N	411.590	5.304	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1	680099971	VTMDUWWIXJWOMN-QUCCMNQESA-N	410.480	5.171	30	20	HKED	
CN(C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	685075452	QAKKRBFUBZSBJA-BJHJDKERSA-N	418.328	5.926	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)CC3)cc1	728696934	BIARMUKGTPGVFL-COYFKBPASA-N	416.502	5.322	30	20	HKED	
C/C(=C/C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(C(F)(F)F)cc1	729418120	XCCKRQNCPZBXBI-SSZFMOIBSA-N	414.427	5.050	30	20	HKED	
Cc1c(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)cnn1-c1cccc(Cl)c1	731565394	NOAOHSLNMKAQEL-KHPPLWFESA-N	400.869	5.187	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@](C)(C#N)CCc3ccccc3)cs2)cc1	732105383	NVEWUXUDYUNQNT-VWLOTQADSA-N	417.578	5.507	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1	733798390	UMHYETCKWPHADT-ILBGXUMGSA-N	413.521	5.146	30	20	HKED	
O=S(=O)(Cc1cccc(N=Cc2cc(Cl)ccc2O)c1)c1ccc(F)cc1F	735229135	RXYZGRVWDKRVND-UHFFFAOYSA-N	421.852	5.048	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)CCOc1ccc(Cl)cc1Cl	735345046	OHZBBGHTWAZETF-UHFFFAOYSA-N	414.672	5.061	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F	738897949	XREFDPAAUMEOLT-GGAORHGYSA-N	405.448	5.893	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1	739155647	SMLZHRRPGYCQSP-AUUYWEPGSA-N	402.416	5.109	30	20	HKED	
CC(C)c1cnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)n1C(C)C	739436861	ZHCOOWWDEAUERR-KRWDZBQOSA-N	424.595	5.679	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(Br)s3)c2)s1	739594693	OBTNXHAJFHSJSJ-UHFFFAOYSA-N	403.326	5.041	30	20	HKED	
CCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H](C)c1cccc(OC)c1	740484389	LKDCIUYMBBUDFR-QGZVFWFLSA-N	419.550	5.588	30	20	HKED	
Cc1c(N=Cc2cc(Br)ccc2O)cccc1C(=O)Nc1ccccc1	748149450	YSGCZCLZWRKXKD-UHFFFAOYSA-N	409.283	5.466	30	20	HKED	
CCOc1c(OC)cc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)cc1OC	750902302	JKEMKSDTLZDIID-FLIBITNWSA-N	413.489	5.128	30	20	HKED	
COc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(OC)c1	754530155	CNASXTRBSYTWDY-LJQANCHMSA-N	406.507	5.026	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1cccc(COCc2ccc(OC)cc2)c1)c1ccccc1	757881430	SFKLWWLJAPTHEI-RUZDIDTESA-N	414.505	5.298	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N	758121705	IGURWDWTDJNMTP-UONOGXRCSA-N	418.415	5.275	30	20	HKED	
C/C(=C\c1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	759205550	DEXGLRSCDGPZBK-KQPPXVQYSA-N	420.868	5.406	30	20	HKED	
Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	764841555	VRQLJRJYSPETOR-QHCPKHFHSA-N	404.473	5.360	30	20	HKED	
CC(=NNc1ccc(Br)c(F)c1)c1sc(-c2cccnc2)nc1C	769830038	VTXBMQHETXJDFA-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	773771740	TZFABTCCFFDIHO-CVDCTZTESA-N	421.500	5.406	30	20	HKED	
CN1C(=O)CCc2cc(/C=C3/CCc4nc(-c5ccc(F)cc5)sc4C3=O)ccc21	774139282	OFXWNTCUKDAUPG-LGMDPLHJSA-N	418.493	5.071	30	20	HKED	
Cc1c([C@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C(C)C)oc2ccccc12	775410515	SHWOFNDFCWEDIO-NTKDMRAZSA-N	424.504	5.265	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3O[C@@H](C)C#N)c2)c1	780160885	RAJOJWWSIUPJCH-IBGZPJMESA-N	400.478	5.046	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cc3ccccc3s2)ccc1O[C@@H](C)C(=O)N(C)C	780188519	LQCOEQPXRYKFQG-TYZQSYOASA-N	423.534	5.052	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCO1	781770005	JXCPMMKLMPHCGG-IFIJOSMWSA-N	410.461	5.333	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccccc4C)CCC3)n2)cc1	788355523	WKCXNXQQWPBZQE-IBGZPJMESA-N	402.519	5.425	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nccc3ccccc23)cc1OCC	792103216	KMZZZVXLVCIKLG-HXUWFJFHSA-N	402.494	5.186	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cccc(C(C)(C)O)c2)cc1	806247890	SSPQTEHDQJEWGS-UHFFFAOYSA-N	417.465	5.231	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)c1ccc(F)cc1	812924456	LLVCSROWPAMRMX-OAQYLSRUSA-N	416.456	5.274	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ncc(C(C)(C)C)s1	814728986	VDMWUGKMWRVPRG-UHFFFAOYSA-N	408.552	5.070	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1	915087027	ZJKFPEOFKCPFQZ-DEOSSOPVSA-N	418.500	5.657	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	916135164	BVWXPIOVHAPMHW-WDZFZDKYSA-N	421.283	6.013	30	20	HKED	
COc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	916627344	NOLINXOZPCDJIL-TWVNLXSWSA-N	404.491	5.025	30	20	HKED	
Cc1cccc(OCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	917043776	NQQWPJRGNWPDFK-HNNXBMFYSA-N	418.440	5.577	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccccc2)CCC1)c1nc2cc(C(F)(F)F)ccc2s1	917043848	OPKOSJKWONRMDS-HNNXBMFYSA-N	400.425	5.613	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)c(Cl)c1)c1nc2cc(Cl)ccc2s1	917047505	YVSLMBCRTDHYRM-NSHDSACASA-N	411.697	5.512	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)no1	918052379	FPZKEHKWEVFTEX-FQEVSTJZSA-N	422.872	5.669	30	20	HKED	
N#C[C@@H](COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)Cc1ccc(F)cc1	920876144	DICGITFPDQANPK-SFHVURJKSA-N	417.440	5.009	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CSC3CCCC3)cc2)CCC1	1786350356	TXZKHJCXCMEXLO-UHFFFAOYSA-N	422.541	5.008	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)C(C)(C)CC(=C)C)cc2)CCC1	1789624297	VZEWYKRZDVCJQY-UHFFFAOYSA-N	400.588	5.032	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(F)c3)cc2)CCC1	1790617769	FUDPVFNVTWNEFL-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)CCC1	1790669698	JHXSCQXKMUMEPS-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)[C@H](C)CC)C2	1793051322	XNYAMVIJRIRMEF-HYOIWIKGSA-N	422.613	5.223	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C4CC4)cc3)CC2)C1	1805457801	WSDIYRCXFRBPBX-UHFFFAOYSA-N	420.597	5.177	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828343377	FNZWCYVFKMNDDQ-DHIUTWEWSA-N	414.634	5.345	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1	1829065178	UVSVIGWHYLOMKK-VQTJNVASSA-N	424.576	5.034	30	20	HKED	
N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(C2CCCCC2)cc1	7442772	BEAYWGYDGQFBMS-UHFFFAOYSA-N	408.523	5.145	30	20	HKED	
N#Cc1ccc(CCC(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1	12955155	UWZIFUQMPIJYDM-SANMLTNESA-N	408.457	5.140	30	20	HKED	
O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc(Cl)cc1	24033684	LKKNKWHVOIZJTC-UHFFFAOYSA-O	417.941	5.832	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc1	25840010	HIIMRGCHWAGZFH-UHFFFAOYSA-N	407.564	5.382	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)c1cccc(N2CCOC2=O)c1	60203531	BKEXJAHRZWXYTL-CSKARUKUSA-N	409.894	5.921	30	20	HKED	
N#C[C@H](C(=O)c1cc2sc3ccccc3c2s1)c1nc2ccccc2n1C(F)F	195557420	NLZLKURJVWKNEK-GFCCVEGCSA-N	423.469	6.351	30	20	HKED	
Cc1sc2nc(/C(Cl)=C\c3cccc(C#N)c3)[nH]c(=O)c2c1-c1ccccc1	229817784	KWFJSGPUPYCERM-GZTJUZNOSA-N	403.894	5.569	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2cccc(C#N)c2)cc1OCC	237015163	CASALUOXNPKCKS-OAHLLOKOSA-N	415.331	5.135	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NCc2ccc(N(C)CCC#N)cc2)cc1	237346577	QOSCQLPBGAZBNT-SANMLTNESA-N	417.528	5.258	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cs2)cc1	430618470	UMQWOXVGJJIXOX-HNNXBMFYSA-N	411.552	5.453	30	20	HKED	
CO[C@@]1(C)CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	431979628	DMWDRKCYTCPKAH-QFIPXVFZSA-N	413.905	5.427	30	20	HKED	
CC(C)(c1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1)C(F)(F)F	433693583	JPGBOQXDXPDYSH-WOJBJXKFSA-N	400.444	5.438	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	435988104	YPVIHWDUSFOUTI-HSZRJFAPSA-N	414.509	5.129	30	20	HKED	
C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)nnc1-c1cccs1	436195863	UDEAFIVNKFSNIA-KRWDZBQOSA-N	421.950	5.278	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	437494399	HJPSYSWFMYKEBN-UHFFFAOYSA-N	403.438	5.092	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl	438070780	GDUYFZYIIPFXLR-NHYWBVRUSA-N	422.337	5.643	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1	443826487	OPVKTLGPKJUTOR-HNNXBMFYSA-N	406.461	5.180	30	20	HKED	
N#Cc1cnc(NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c(Cl)c1	462915347	XDLPEAVUWBFKBK-UHFFFAOYSA-N	404.779	5.425	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cc1	464444695	DYVXAPVBRRABLZ-INIZCTEOSA-N	412.420	5.210	30	20	HKED	
CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1nc(C(F)(F)F)cs1	466666932	VAOHKZYPPWIHEV-OAHLLOKOSA-N	410.465	5.105	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(-c3cccnc3)cc2)cc1	466954247	ZNQUTOSGKVDUEQ-UHFFFAOYSA-N	420.472	5.734	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	468548897	QXPLBUJDMUHHRZ-GHMZBOCLSA-N	423.275	5.032	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)c1cccc(F)c1	470010145	UPJVSAASCNRGGK-HNNXBMFYSA-N	420.415	5.476	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1Cl	471205509	VGDKTDIOTKNCDL-PXNSSMCTSA-N	421.888	5.214	30	20	HKED	
CCOC1CC(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	473968038	QWXWHDJDRCHBGO-VFIGECHUSA-N	411.933	5.322	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2nc3ccccc3o2)CC1	476120881	DWKLJWIYLAZOJH-UHFFFAOYSA-N	403.526	5.535	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)cc1	476693545	OXNSUVHLECSTFG-UHFFFAOYSA-N	409.327	5.180	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c(F)c1	480537161	FTBLPUSEWMEXRZ-VLIAUNLRSA-N	401.482	5.655	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(F)c(C#N)c1	481738987	HRVNZKWHRAAPTQ-UHFFFAOYSA-N	406.461	5.229	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)sc1SCC#N	482357315	APOXJCQXAKCEOU-UHFFFAOYSA-N	417.462	5.390	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)N(CCC#N)CC(F)(F)F)c2)c(C)c1	482648928	GJZNLWWCNIIDFS-UHFFFAOYSA-N	406.473	5.514	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)oc2c1	483230918	QNHZLVLRGWEWSS-IBGZPJMESA-N	419.440	5.542	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	484192223	MGYVLMPFMZLYLQ-QGZVFWFLSA-N	417.513	5.452	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F	486503204	POQLPXONONRCGG-ZBFHGGJFSA-N	407.461	5.548	30	20	HKED	
CCOc1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Cl	486706070	GDFBNKKHIITXPS-UHFFFAOYSA-N	421.884	5.031	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)Cc3ccc(Cl)cc3Cl)s2)cc1	487445835	OAIKHTYPICJNSL-UHFFFAOYSA-N	402.306	5.094	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1cccs1	489437426	ZAPZGZABMPXUAR-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
C=CCC[C@H](C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1)c1ccccc1	490266659	CWZWDWRHLFBXOC-RPBOFIJWSA-N	418.581	5.037	30	20	HKED	
Cn1cc(CNc2cc(Cl)ccc2OCC(F)(F)F)c(-c2ccc(C#N)cc2)n1	490564040	GOKBLZQVDJZYKM-UHFFFAOYSA-N	420.822	5.165	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H]1CCC[C@H](C)C1	499312252	KMXNYFOFVUVYGI-QCIUDXLNSA-N	420.601	5.338	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c1C#N	500095497	YZXMAEFLIMFWPE-CYBMUJFWSA-N	420.563	5.167	30	20	HKED	
C=CCN(C(=O)c1sc(-c2cccs2)nc1C)c1nc(-c2ccccc2)cs1	500306476	WMMGEMSJNXKBNE-UHFFFAOYSA-N	423.588	6.136	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1C	502681164	RAOWQKAAWKLROW-UHFFFAOYSA-N	422.254	5.025	30	20	HKED	
C=CCN(C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC)c1ccccc1	504282917	XVLMHCHLWPZAPP-SFHVURJKSA-N	406.555	5.227	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1	505062063	PEMZTPBXXWDDPN-DVECYGJZSA-N	408.542	5.252	30	20	HKED	
N#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cccc(Cl)c1Cl	505314701	PRQUJIGPYZPMLQ-GOSISDBHSA-N	411.292	5.051	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nc(-c3cccs3)no2)cc1	507826863	CDKOGDCNIHHTTI-CQSZACIVSA-N	418.478	5.644	30	20	HKED	
CN(Cc1cccc2ccccc12)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	509641595	UAPSVHDCHBONGL-UHFFFAOYSA-N	412.518	5.423	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3cc(F)ccc3C2)cc1	509697049	JJYCPKGENZCBKL-UHFFFAOYSA-N	415.468	5.061	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)N(CC)CCC)cc1	512017732	WVUXUZJCNXIWLS-UHFFFAOYSA-N	404.963	5.102	30	20	HKED	
N#CCCn1cc(C(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)c2ccccc21	514898251	SLZRBOFTHHJULL-UHFFFAOYSA-N	421.909	5.838	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccccc1SCc1cccs1	515016268	URCLCRJNOFNRJK-UHFFFAOYSA-N	422.575	5.201	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3sc(C)c(C)c3C#N)c12	516717259	JQKUTCMZLYMTIC-UHFFFAOYSA-N	406.467	5.238	30	20	HKED	
CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	517338513	ACJBILYRXNMYQG-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c1	518495350	OQRJHAUDHWAZPE-QHCPKHFHSA-N	420.509	5.980	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1OC(F)F	518737287	PVYDENMKWZMZLQ-OAHLLOKOSA-N	423.419	5.391	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1	520926133	OTWSGPSCNDLUJR-LLVKDONJSA-N	401.340	5.188	30	20	HKED	
N#C[C@H](NC(=O)CCOc1cccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1	521352658	FQYXLOLNFUCGQL-AWEZNQCLSA-N	417.214	5.162	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)sc1C	523007975	ABYWSFLOJVVQJJ-UHFFFAOYSA-N	406.511	5.481	30	20	HKED	
Cc1csc(-c2cccc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)n1	523484191	XBOYLFUQDKHITR-UHFFFAOYSA-N	417.534	5.110	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)CC2)c1	524554481	IUKOTKOUDKCAGB-UHFFFAOYSA-N	414.292	5.030	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C	533489294	XMVSFBPRUMLFDO-OPAMFIHVSA-N	413.562	5.535	30	20	HKED	
CC(C)Cn1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(C(F)F)n1	534941494	NIRMIKHNLZBJDG-UHFFFAOYSA-N	409.440	5.344	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cnc([C@@H]4CCCO4)s3)c2C#N)C1	535476959	YVHMJNFLSAPAOM-DOMZBBRYSA-N	415.584	5.331	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C1CC1	536325441	QRLCZUBHKPZYOJ-OAHLLOKOSA-N	418.472	5.787	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1	538537529	ONSALUWQBULMMY-UHFFFAOYSA-N	410.477	5.447	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]1C1CCOCC1)c1ccc(C(F)(F)F)cc1	538665454	GMWXPFRRTNJYKW-PMACEKPBSA-N	410.480	5.313	30	20	HKED	
Fc1ccccc1-c1cnc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)o1	540519250	GWRPADIEYZQXPC-KRWDZBQOSA-N	418.312	5.893	30	20	HKED	
CCCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1C1CCCC1	541264484	HKRYWWUGSODFOO-UHFFFAOYSA-N	419.554	5.122	30	20	HKED	
N#CCc1ccc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1	541349706	ZAERPQZAPJLFDB-UHFFFAOYSA-N	414.484	5.094	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	542000336	POSVPCKNQZSFGM-HZPDHXFCSA-N	405.523	5.270	30	20	HKED	
C[C@@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543942951	LCOBWJZBJWPFBS-LJQANCHMSA-N	417.553	5.419	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1cc(F)ccc1Br	544073270	ZBQTXPWRCMRJNH-CYBMUJFWSA-N	421.335	5.411	30	20	HKED	
C[C@@H](NCc1ccc(F)c(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1	544462035	VWRVLOMTZWTTAV-GFCCVEGCSA-N	416.319	5.434	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@@H](CCCC#N)c2ccccc2)CCC3)cc1	551208584	OBOUQIDXESFGQT-FCHUYYIVSA-N	417.578	6.221	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Br)c2)cc1	564170303	NGQSOSGURGNWPG-IBGZPJMESA-N	419.344	5.007	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccc(-c3nnco3)cc2)no1	567649514	WYLDBEGAWFJHTO-UHFFFAOYSA-N	414.343	5.037	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2ccc(Cl)cc2)n1	576524922	NBBALZMOLGSKRY-UHFFFAOYSA-N	414.962	5.459	30	20	HKED	
C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H]1c1ccsc1	578580597	MISRZARPWRQYSR-IBGZPJMESA-N	403.511	5.189	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	582516475	HPMNMEJKHPZRBD-XMMPIXPASA-N	412.493	5.813	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	588235710	KSSFGBWWDNEBEU-NRFANRHFSA-N	416.481	5.369	30	20	HKED	
N#Cc1ccc(CNc2cccc3c2CN(c2nccs2)C3)c(C(F)(F)F)c1	589509414	KPSWQGGOOZDQBC-UHFFFAOYSA-N	400.429	5.166	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc2cc(F)ccc2s1	592973787	GZYLJIIEBMYUBK-LJQANCHMSA-N	418.518	6.218	30	20	HKED	
CCCN(C(=O)c1cccc(C#N)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	603462990	PEXPUARLEPVUGV-UHFFFAOYSA-N	416.333	6.045	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	604104494	UGYLJOWVBQJPKN-QFIPXVFZSA-N	424.331	5.796	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	604459838	WLQUXVGKGZUSKU-LJQANCHMSA-N	413.521	6.222	30	20	HKED	
N#C[C@H](C(=O)c1csc(Nc2ccccn2)n1)c1nc2cc(Cl)ccc2s1	606147059	RYMPHJZTRMRUMF-LLVKDONJSA-N	411.899	5.035	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cn1	608935888	JKSJWMCARYDRMS-UHFFFAOYSA-N	424.273	5.010	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	609080211	DPSBNPKAKCMNLO-LLVKDONJSA-N	413.346	5.403	30	20	HKED	
Cc1ccc(C(=O)N[C@H](CC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc2)cc1	609227888	VJISKFTYPJPYOK-OAQYLSRUSA-N	417.534	5.045	30	20	HKED	
Cc1cccc2c(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c(C#N)cnc12	610278349	MAJOQUDFWHIFNP-UHFFFAOYSA-N	422.891	5.063	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(Cl)c1	611092711	DBWQPLCLOANYEJ-UHFFFAOYSA-N	407.260	5.661	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc2ccccc2s1	612893473	PCBSGLJYVAGBJH-LJQANCHMSA-N	418.905	6.019	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)[nH]n1)c1nc(-c2ccc(Cl)cc2)cs1	613319796	LASXRDJTNYCMIK-MRXNPFEDSA-N	404.882	5.344	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1	615614314	FKURMFZHPKHDJA-QGZVFWFLSA-N	400.494	5.082	30	20	HKED	
C=CCCO[C@H](C)C(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	620566410	ALISEFNQCULHEP-CYBMUJFWSA-N	421.349	6.249	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1OCC	642281590	RAKBZKJKLGGIKO-HNNXBMFYSA-N	412.873	5.549	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)c2ccccc2c1)c1cnc2ccccc2n1	645972815	MBPCCHQPWOKETE-INIZCTEOSA-N	402.251	5.036	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	674042740	BRWRXDJYKUGPKS-FQEVSTJZSA-N	414.896	5.240	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1ccc(C(F)(F)F)cc1	676760627	KGKNLTZHCVZQJH-WMZOPIPTSA-N	406.452	5.025	30	20	HKED	
CN(C(=O)c1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1)c1ccccc1	677467931	PSRFCCXUPDSRHR-JOCHJYFZSA-N	405.457	5.001	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc2cc(F)ccc2s1	677564373	IKCSNHUVAQDSDY-SFHVURJKSA-N	424.460	5.536	30	20	HKED	
COC(=O)Nc1cccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	728463988	BCPRVJMGCSJJGH-UHFFFAOYSA-N	417.440	5.031	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1	728737511	IEUIBBHIZROCNM-FTJBHMTQSA-N	418.500	5.648	30	20	HKED	
CCC(CC)(NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)cc1	728928107	LNHBDXDOFJSBFD-IBGZPJMESA-N	418.928	5.182	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1	729891976	PBURSKIFHSNWLX-MSOLQXFVSA-N	419.481	5.050	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	730418498	WDNSNRYAEVBYMQ-VUDGCMKMSA-N	406.360	5.224	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(c2c[nH]c3c(CC)cccc23)CC1)c1ccncc1	734679783	JYYRQXMVMOLLFS-HSZRJFAPSA-N	402.542	5.332	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3nccs3)c2)cc1	737321819	BUAQCDAVXXZVAO-FOIQADDNSA-N	419.506	5.410	30	20	HKED	
CCOc1cc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC	740440417	OEZSVTXHLBBBCD-UHFFFAOYSA-N	407.495	5.016	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)c1ccncc1	740825396	LKHHHJLDAGRQPR-GOSISDBHSA-N	401.894	5.129	30	20	HKED	
CC(=NNc1c(F)cc(F)cc1Br)c1nc2ccccc2n1C(F)F	741771086	HFCLNAYHCGTQGC-UHFFFAOYSA-N	415.188	5.308	30	20	HKED	
O=C(/C=C\c1ccc2ccccc2c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741852063	IWDKHQUUGSJIDQ-SDQBBNPISA-N	404.409	5.072	30	20	HKED	
CCSc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	752482532	IOTHEFXPUQVKHP-LJQANCHMSA-N	403.532	5.213	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1	753300254	SUIUUKSYSOQOJN-SQHAQQRYSA-N	423.516	5.048	30	20	HKED	
CC(C)(C)SCCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	754532370	UCNSGHKJVAPEEX-GOSISDBHSA-N	410.539	5.438	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C/c3ccc(-c4cccc([N+](=O)[O-])c4)s3)ccc21	754690403	UQNARMMGAIPRLB-JXMROGBWSA-N	418.474	5.128	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2CCC(F)(F)F)cc1OC	757015096	MOKUZTUIRFHJJU-PKNBQFBNSA-N	405.416	5.407	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1OCc1ccc([N+](=O)[O-])cc1	759081888	BUJLQFHTUQKOES-RUDMXATFSA-N	424.840	5.127	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2OCC#N)cc1OCC	760795609	CRCSNQAAZBXKFE-UHFFFAOYSA-N	420.868	5.211	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cnc(-c3ccc(Br)cc3)s2)s1	762438562	PCCPXMKOFSYSSK-ALCCZGGFSA-N	401.310	5.402	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)cs1	766507789	XYIAJDGUBXBUEW-ZWULCIMOSA-N	416.546	6.156	30	20	HKED	
CCc1nn(C)c(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	767256185	WMPWLDWHSPHXAO-MRXNPFEDSA-N	413.308	5.197	30	20	HKED	
Cn1c(CC(=NOCc2ccc3ncccc3c2)c2ccccc2)nc2ccccc21	769829613	FOZCHGPEOVKCMT-UHFFFAOYSA-N	406.489	5.285	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1nc(-c2ccccc2)cs1	775226577	GMMBMWRODGGKEC-GOSISDBHSA-N	421.485	5.034	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1	777566502	VOCIZNKAMAMSQR-DHIUTWEWSA-N	415.468	5.517	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCCCC2)n1	779189434	PSCPIWSOWSPJBW-INIZCTEOSA-N	403.345	5.292	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc(-c3ccccc3)nc2C)cc1	779195594	YIEUTGSAJMQGAT-QRWLVFNGSA-N	401.466	5.125	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	780305556	LUNUKOUKZVIRKH-QFIPXVFZSA-N	405.457	5.171	30	20	HKED	
C=CC[C@@H](NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1ccncc1	782292308	OXNYLXZZDQBEPO-QGZVFWFLSA-N	401.388	5.111	30	20	HKED	
FC(F)(F)c1nc(Cl)ccc1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	787185702	IVVVIYAYZJXFFX-DTORHVGOSA-N	414.699	5.317	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)c1	788595339	BNHYQPHOQYWNJI-UHFFFAOYSA-N	415.921	5.013	30	20	HKED	
C[C@@]1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C[C@H]2CC[C@H]1O2	791775797	MVNUPHKVMCNWST-LHNNODEJSA-N	407.322	5.251	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[C@@H](C#N)c1nccc2ccccc12	792106215	PTBMULSMFBSTOC-PCCBWWKXSA-N	421.541	5.275	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1	798819812	KNOMZDVCUWJLIH-BLLLJJGKSA-N	401.413	5.204	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1	799715079	LKCNUKDBCNGKKS-OUKQBFOZSA-N	415.905	6.199	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1csc(-c2ccccc2F)n1	815900026	LYEAEGGTBVFBRY-QGZVFWFLSA-N	415.493	5.651	30	20	HKED	
Cc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	818219701	BIECOLKKEFGEHO-UHFFFAOYSA-N	421.507	5.061	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2c(Cl)cccc2Cl)c1	877124254	LQQZLEXBYCFSNG-HNNXBMFYSA-N	419.308	5.102	30	20	HKED	
CCCCOc1ccc(C=NOCc2coc(-c3cccc(Cl)c3)n2)cc1OC	914571975	XUBCRPATTKGOKI-UHFFFAOYSA-N	414.889	5.733	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccccn3)n2)CCOc2ccc(Br)cc21	915986972	LBTKCJUQRWBDKW-XFXZXTDPSA-N	413.296	5.016	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc2ccccc2n1	916848126	BVZQVCQXQHIGJN-QFIPXVFZSA-N	414.468	5.578	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(SCc2ccccc2)cc1	916883459	KPJPNILWEBUTBY-OAQYLSRUSA-N	420.921	5.593	30	20	HKED	
Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C(C)C	920141042	GVANHLAUNOLTMZ-NRFANRHFSA-N	415.518	5.369	30	20	HKED	
CC(C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1)c1ccc(Cl)cc1	1791192267	UAMKTEIUCHONGT-JOCHJYFZSA-N	423.944	5.127	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1	1792265364	QDJPWQOAACPNOM-UHFFFAOYSA-N	420.896	5.247	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1	4285806	VSAQSYUTFZQRFE-GOSISDBHSA-N	420.582	5.682	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(CC)cc2)nnc1-c1ccc(OC)cc1	6148074	ZLVOGOYEQATIJW-INIZCTEOSA-N	407.539	5.066	30	20	HKED	
C=CCn1c(C)nnc1S[C@@H](C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1	6909796	DQHWIUCJPGZLTQ-HSZRJFAPSA-N	416.550	5.533	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2ccccc2)cs1	51534358	IDWWASVHZJHBSA-SFHVURJKSA-N	404.882	5.139	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCCC[C@H]1c1ccncc1	58537547	VJAVIMKXQLMCBW-QHCPKHFHSA-N	401.535	5.692	30	20	HKED	
C=CCN(Cc1csc(-c2ccc(OC)cc2OC)n1)Cc1ccc(Cl)s1	61758868	KZCXCDXQNANHOQ-UHFFFAOYSA-N	420.987	5.730	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1	78668969	UPDFRGFMOHSCOO-UHFFFAOYSA-N	413.955	5.650	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC(F)F	220701282	XUMOAWHHXISVQQ-DAXSKMNVSA-N	414.351	5.193	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1cccc(OC)c1	303416374	WPCCLBNRTVRAIA-MSOLQXFVSA-N	411.571	5.111	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1	303481312	KHIQYJMRZUJOLH-DEOSSOPVSA-N	401.510	5.342	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1	429358048	RDNKVQVWSZSBBW-JOCHJYFZSA-N	418.522	5.793	30	20	HKED	
Cc1ccc(-c2ncccc2NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)s1	432605581	YHDOMVCQJLBUQP-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
Cc1cccc(Oc2ccc(NCc3cn(CCC#N)nc3-c3ccncc3)cn2)c1C	432736300	UHFMJRKPTMFEDB-UHFFFAOYSA-N	424.508	5.275	30	20	HKED	
Cc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1OCC(F)(F)F	432972319	MZMOTIBQGDFQIO-GOSISDBHSA-N	405.420	5.493	30	20	HKED	
CC(=O)N(c1nc(CSc2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1C	435030748	VBKVWFFTRYTIJC-UHFFFAOYSA-N	407.564	5.917	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC	437461461	UXROBHMKOYSGFY-UHFFFAOYSA-N	406.413	5.149	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccccc1	437873283	QKJRVFBLUIJGPG-NOZRDPDXSA-N	411.505	5.569	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1Oc1cccnc1	438234388	KZTCFZJGGFVNAR-PKTZIBPZSA-N	412.493	5.486	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(COc2ccc(C#N)c(Cl)c2)cs1	438883098	LHQCUEJEFWDGQA-UHFFFAOYSA-N	411.914	5.494	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2ncc[nH]2)CC1)c1ccc(C(F)(F)F)cc1	441539597	YXBAZLHICFVVOC-GOSISDBHSA-N	406.452	5.025	30	20	HKED	
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1O	442973325	DVRBIYAXDSKJTN-UHFFFAOYSA-N	417.515	5.343	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OCC	443916602	BCRNDNDEAIKTBJ-GOSISDBHSA-N	419.525	5.233	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)CC2)cc1	444252938	OGYPZEQYYACBLF-UHFFFAOYSA-N	411.486	5.211	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1	460374162	JQNYJDIBRPTFFJ-NRFANRHFSA-N	421.010	5.195	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1Cl	462268523	HUVSRKRZNGEDIU-CZTZKLFOSA-N	409.917	5.075	30	20	HKED	
Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1	469203801	QQNIQDSSVREGCI-UHFFFAOYSA-N	401.344	5.227	30	20	HKED	
CC(C)CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CCCc2cccnc21	469825743	BCPHBKCWARTZOV-XMMPIXPASA-N	414.553	5.516	30	20	HKED	
CC[C@H](C)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470844756	OKNROLKEBQAPRM-MHECFPHRSA-N	403.526	5.038	30	20	HKED	
Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	472034337	DRNIEQZJTPHFSY-UHFFFAOYSA-N	409.445	5.761	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1	472887864	LJVMROLIKUORLF-UHFFFAOYSA-N	418.497	5.151	30	20	HKED	
N#CC[C@@H](CC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1	475534709	WGPNBQNMJAURRL-NRFANRHFSA-N	412.493	5.034	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1COC(C)(C)CC	480118787	DHFHQCLUJHANOQ-UHFFFAOYSA-N	400.519	5.087	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1	480647975	WPYHJCYRASSWKL-UHFFFAOYSA-N	417.431	5.208	30	20	HKED	
CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(F)c1	480824192	YNWJPZMJWKOMPT-RXVVDRJESA-N	423.488	5.085	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1C	480826270	HFGIRPHFONSZCK-OAHLLOKOSA-N	419.978	5.458	30	20	HKED	
C=C(C)[C@H](NCc1nnc(-c2ccccc2Br)o1)c1ccc(F)c(F)c1	481580629	TUZSRTMPTZKWGE-SFHVURJKSA-N	420.257	5.184	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1oc2ccccc2c1CSc1ncccn1	482846661	BWQLPXCBJHAQFK-UHFFFAOYSA-N	421.566	5.724	30	20	HKED	
N#CCCCn1cc(C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)c2ccccc21	483025447	VPVJCKYPEFKXIO-UHFFFAOYSA-N	409.892	5.356	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Br)c1ccc(C#N)cc1	483432000	TVMJGMAQQLNUNP-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3nc4c(cc3C#N)CCCC4)s2)c(C)c1	484170345	XQOUKPVIPVWPCS-UHFFFAOYSA-N	402.523	5.133	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ccc3ccccc3n2)cc1	485800416	GUZMCXHRNUINLI-UHFFFAOYSA-N	423.491	5.407	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1	486242299	MZVABRRMVDKSDS-UHFFFAOYSA-N	420.509	5.286	30	20	HKED	
CCNC(=O)Nc1ccc(C)c(NCc2cccc(OCc3ccccc3C#N)c2)c1	487213819	CPJZWOWNSARGEP-UHFFFAOYSA-N	414.509	5.199	30	20	HKED	
Cc1cc2occ(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2cc1C	487383868	FMCPAJAHUHZATH-UHFFFAOYSA-N	401.491	5.150	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2o1	487736352	WVGOGSZSSOWKCY-LBPRGKRZSA-N	417.943	5.606	30	20	HKED	
Cc1csc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1Br	489727789	KTMCODOJYOMFOZ-SNVBAGLBSA-N	404.116	5.121	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C1CC1	490280865	BOCLLLXHXXYUIY-UHFFFAOYSA-N	400.482	5.333	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](c4cccc(Cl)c4)C3)cc2)nc1	496726726	YNMYCAVUMAQYCC-IBGZPJMESA-N	403.869	5.029	30	20	HKED	
COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	497771803	SDDULUNARQBUBV-QGZVFWFLSA-N	401.466	5.112	30	20	HKED	
CCC[C@@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	499068286	GHHLEAMBNBPQEE-KXBFYZLASA-N	413.509	5.216	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1noc2c1CCCC2)c1ccc(C(F)(F)F)cc1	500101319	WIYSLCAZKSRADZ-QGZVFWFLSA-N	407.436	5.079	30	20	HKED	
C[C@@]1(F)CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)C1	501368962	VNRTTXBJWMENEK-RTUXIGNFSA-N	415.393	5.069	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)s2)c(F)c1	501561344	KUKIVMSZVYCQGK-CQSZACIVSA-N	415.515	5.336	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1	502571066	QJCVBDILELYSEW-UHFFFAOYSA-N	401.466	5.592	30	20	HKED	
CCOCCOc1c(Cl)cccc1NC(=O)Nc1cc(C#N)ccc1OC(C)C	502624307	WODVRQWJAJIAHK-UHFFFAOYSA-N	417.893	5.058	30	20	HKED	
COCCSc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1	504741601	MBBREAFBSWVBTN-GOSISDBHSA-N	416.546	5.455	30	20	HKED	
O=C(NC[C@H]1CCCC(F)(F)C1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	504762125	KIJKTPKNYGCPJT-GXFFZTMASA-N	416.337	5.016	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)CCCO3)cc1	506024098	GRSDACSXFIKNTA-UHFFFAOYSA-N	400.503	5.428	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(COCCc4ccccc4)c3)CC2)c1	508417406	LULXSWNCGHJOSU-UHFFFAOYSA-N	414.480	5.127	30	20	HKED	
CCN(C(=O)c1cc(C)nc2ccc(Br)cc12)[C@@H](C)c1ccc(C#N)cc1	508940195	DAKFNKNXFSNXFK-HNNXBMFYSA-N	422.326	5.401	30	20	HKED	
CCN(C(=O)CCSc1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1	509573001	DPXONHUMYRAYHZ-HNNXBMFYSA-N	417.372	5.413	30	20	HKED	
COc1cccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	510875148	VQAIECJTTDUGJC-UHFFFAOYSA-N	401.466	5.032	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccs1)C1CC1	510890097	MUWREYLATKXPGP-UHFFFAOYSA-N	403.507	5.917	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	510892273	HYIZXGVTGMUSCD-OPYAIIAOSA-N	409.555	5.228	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1cc(OCC)c(OCC)cc1Br	511593902	MRSITPUGKBNFGK-UHFFFAOYSA-N	420.303	5.064	30	20	HKED	
Cc1nc2cc(F)cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c2nc1C	515449208	KSQANDOVAWYICP-UHFFFAOYSA-N	408.502	5.230	30	20	HKED	
C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1	517549290	DXBMONLIHUOHQW-SFHVURJKSA-N	423.476	5.170	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1	518758907	MXKONMCLQNOFHF-HXOBKFHXSA-N	421.591	5.460	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1	519063115	GIYQKCATIQPWTB-DEOSSOPVSA-N	401.485	5.407	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccco3)cc2)cc1	520582489	KUXCCVJKWQBTPE-XMMPIXPASA-N	409.445	5.855	30	20	HKED	
C=CCOc1ccc(/C=C(/CC(=O)O)c2nc3cc(Cl)ccc3s2)cc1OC	520764026	NOEMWOZSFMEDKV-ZROIWOOFSA-N	415.898	5.538	30	20	HKED	
C=CCn1c(SCc2csc(C3CCCC3)n2)nnc1-c1ccc(F)cc1	521799170	FRZVOLHXIGPBMR-UHFFFAOYSA-N	400.548	5.677	30	20	HKED	
Cc1cccc(-c2nnc(S[C@@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)c1	522822780	ROALBSYMYBGHCS-KRWDZBQOSA-N	400.507	5.620	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1ccc(C#N)cc1	522822871	ZLFHIXMHGWFIPE-SFHVURJKSA-N	406.555	5.628	30	20	HKED	
CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	523924902	HKLJLUDYJAKIPY-QFIPXVFZSA-N	419.569	6.012	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3nc(-c4ccccc4)cs3)c2)c1	524331237	QDPPZIMOAIDCED-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1C1CC1	534982070	VBYRMFIIEWWYFF-QGZVFWFLSA-N	414.509	5.434	30	20	HKED	
Cc1cc([C@@H](NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C2CC2)ccc1F	536217905	OSGDFVCWFWEIPG-AWEZNQCLSA-N	412.349	5.112	30	20	HKED	
Cc1ccsc1CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	538104440	FKAKGEDYDDTDMJ-UHFFFAOYSA-N	407.514	5.022	30	20	HKED	
C=CCC[C@@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	539328896	READFHBMTLXVHB-DLBZAZTESA-N	422.413	5.103	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)Nc3cccc(CCC(F)(F)F)c3)n2)c(F)c1	542959468	CQMXEYZCRAJBEO-UHFFFAOYSA-N	417.366	5.022	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1	543943965	UXFTZYDAOPJNHD-HTAPYJJXSA-N	400.482	5.129	30	20	HKED	
COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	553070896	CJPHUNRQENYCDZ-MJGOQNOKSA-N	409.555	5.186	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)cc2)ccn1	555007482	KTVMIDQTHLYNMI-HXUWFJFHSA-N	412.493	5.547	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	558342742	XEVRAWYMEWSUSQ-NYVOZVTQSA-N	419.594	6.098	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)n2)c1	560604158	PUCFQNFIQQXVNW-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)on2)c1	562595796	KCMPCAXGSVNUEV-UHFFFAOYSA-N	423.432	5.110	30	20	HKED	
N#Cc1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(C(F)(F)F)c1	571457108	QTVBMSMIQPTZDP-CYBMUJFWSA-N	419.394	5.432	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n1	571849361	OJUSIKOZZCZCAD-QGZVFWFLSA-N	407.514	5.209	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCc2occc2C1	572440888	PRAIOSWJGOKKSZ-UHFFFAOYSA-N	401.466	5.019	30	20	HKED	
C=CCn1c(SCc2cccc(C)n2)nc2scc(-c3ccccc3)c2c1=O	575215555	SFOGYEKSKDFFJT-UHFFFAOYSA-N	405.548	5.307	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C2CCOCC2)CC1	581349276	BXQKHGGZDNIYMM-UHFFFAOYSA-N	419.525	5.330	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N[C@@H](CCCC#N)c3ccccc3)s2)cc1	590477665	BGWSNAWJPIZGAF-FQEVSTJZSA-N	405.523	5.292	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3cnn(C(C)C)c3n2)s1	590613826	YPLOCIIIXUEGEF-UHFFFAOYSA-N	407.524	5.235	30	20	HKED	
Cc1nn(C)c2sc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc12	590615072	TUPDFLXUIDAQLF-LBPRGKRZSA-N	412.584	5.280	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cccc(C#N)c1	603645847	QLKLJJIFXFEINT-UHFFFAOYSA-N	407.477	5.075	30	20	HKED	
CCOc1cc(CNCc2cccc(C#N)c2)ccc1OCc1c(F)cccc1Cl	608982210	AYFXNIWWPBADAW-UHFFFAOYSA-N	424.903	5.618	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1	609081097	GKBWUNUBCHYMBO-CYBMUJFWSA-N	409.845	5.172	30	20	HKED	
Cc1ccc(Sc2ccc(C(=O)N(C)c3ccc(C#N)cc3F)cc2[N+](=O)[O-])cc1	609216601	QLUDFWCBTCKMOQ-UHFFFAOYSA-N	421.453	5.342	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1	609388085	ZYUBFJFLNJOFIM-CHWSQXEVSA-N	408.354	5.684	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CC=C(c3cccc4ccccc34)CC2)c1	609520320	IKCGZRCTMMIEMY-UHFFFAOYSA-N	410.517	5.576	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1Oc1ccncc1	609642002	MINIRWLOBOXZGI-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)cc1	609969197	XHXUTVMPPUGQQT-UHFFFAOYSA-N	401.447	5.248	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1	610321025	DCQSIXJZYPVPNL-HNNXBMFYSA-N	421.526	5.298	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H](C)c3cccc(C#N)c3)s2)cc1	610351312	KVLZFKVXVZMFKJ-GDBMZVCRSA-N	420.538	5.120	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(C#N)c1	610408454	XICFZVBQHHZHRM-GOSISDBHSA-N	412.468	5.042	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(Cl)c1	611093097	VVIUDTCYWSXZMY-UHFFFAOYSA-N	407.260	5.661	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2c1	611836340	ZXHLGFVNHUNVLB-UHFFFAOYSA-N	401.235	5.203	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1ccc(Cl)cc1	613392082	FARVZPUVCSOMLA-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2c(F)cccc12	613403022	ASOLCTGGHSAGKI-LBPRGKRZSA-N	418.371	5.999	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OC(F)F	613403996	YNUMEJJYZJUCKW-LLVKDONJSA-N	408.813	5.050	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1	615000265	LLNUWFGCDDSPSR-JOCHJYFZSA-N	402.519	5.075	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1	615695290	GLAJSKJIGKCRAZ-DEOSSOPVSA-N	404.485	5.322	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1	619435664	YIKCRFMQQYOHJC-UHFFFAOYSA-N	415.562	5.631	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccc(F)cc4s3)n2)cc1	619756511	LXWPOWDDWSXIEV-INIZCTEOSA-N	403.463	5.526	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1cc(F)c(C(F)(F)F)cc1F	622600711	AIPVLJAKWSJAKM-LBPRGKRZSA-N	411.292	5.336	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2ccccc2CC)c1	726572431	FBZWFHNTARBVOG-UHFFFAOYSA-O	413.566	5.458	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1cn(C)nc1-c1ccncc1	727654260	JZUHLGJEDLQYEM-VMPITWQZSA-N	420.925	5.464	30	20	HKED	
CCN(C(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	728299318	QZBRXMHRTVHJQT-SFHVURJKSA-N	417.484	5.130	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	729375974	YZGCQVUJYAUIRR-UHFFFAOYSA-N	408.417	5.167	30	20	HKED	
C=CCN(C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)C(C)C	729571919	RTQKJWHAQUPVOQ-UHFFFAOYSA-N	401.429	5.481	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1cnn2ccccc12)C(=O)c1ccccc1	729643926	LMPMEDHLRWPHIM-HAVVHWLPSA-N	423.516	5.364	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2Cl)cc1Br	730434766	SPLQHFGGVIGGLM-QPJJXVBHSA-N	411.679	5.024	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	731287551	FPHSEMLLTPSCOE-OTWHNJEPSA-N	406.844	5.083	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1	731288375	RMMFHCFENSWQDP-CEXWTWQISA-N	402.906	6.083	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Oc3cccc(Oc4ncccn4)c3)cc2)cc1	731984483	KIFWMQIGUCRAGR-UHFFFAOYSA-N	423.428	5.346	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c1	732071171	BXPWSZYTFLVIQT-OAQYLSRUSA-N	416.443	5.490	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccncc1	734679197	FBWCFUKJGBMMRJ-SFHVURJKSA-N	410.905	5.083	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	734706652	PRHJUDMWWXPSLA-WIYYLYMNSA-N	408.910	5.344	30	20	HKED	
O=C(C(=NN=Cc1sc(N2CCCC2)nc1Cl)c1ccccc1)c1ccccc1	735970528	AKRBBQHLVICQJK-UHFFFAOYSA-N	422.941	5.103	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)c1c(Cl)nc2ccccn12	737446001	KSFKFPYQADZAMD-KHPPLWFESA-N	411.292	5.090	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	739155727	TYBWSVSCDMZLCU-YLJYHZDGSA-N	416.452	5.144	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(N4CCSCC4)cc3)c2)cc1	741698726	FHXIAVIFZDNOLC-UHFFFAOYSA-N	414.534	5.107	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)ccc1SC(F)F	741842869	IPXAJCQERWBZFR-XBXARRHUSA-N	400.393	5.550	30	20	HKED	
COc1ccc([C@H](NCc2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1	742263337	BGVLPNWCQGEZQZ-DEOSSOPVSA-N	406.913	5.439	30	20	HKED	
CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1c(C)nn(C(C)C)c1C	746486819	ICGZPPHVELOWAR-UHFFFAOYSA-N	418.570	5.897	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	749053536	HSSFKVWCNVGFDV-OAHLLOKOSA-N	418.440	5.521	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccsc2)ccc1OCC(=O)Nc1ccccc1	749101129	ADPAWOOHFKVHON-CSKARUKUSA-N	407.491	5.060	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)NC1CCN(c2ccccc2C#N)CC1	749533274	LCAMYHKXDOLXPH-UHFFFAOYSA-N	405.567	5.015	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	751153959	TUTWTPVIRBUQTQ-QGZVFWFLSA-N	418.465	5.140	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc2ccccc2n1C(F)F	759222475	QDNLQZBGXCMWNC-ZNFPLGDCSA-N	422.822	5.523	30	20	HKED	
Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(-c2cccnc2)c1	768475761	BWHNDMZEOAHIOZ-UHFFFAOYSA-N	421.529	5.255	30	20	HKED	
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	768742473	XXCOUOHFVNZXOW-HNNXBMFYSA-N	424.316	5.269	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1	770527624	IILMSOFLAPNUSJ-ZBFHGGJFSA-N	407.366	5.875	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F	770651296	CFCXSYLJFQVAJU-HWPZZCPQSA-N	415.774	5.195	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)ccc2c1	770845810	DJTLYNWQMBOGEA-ORAYPTAESA-N	424.859	5.092	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(SCC(F)(F)F)cc2)c1	772986491	XOVWIPSXSQVHAH-MAUKXSAKSA-N	408.489	5.873	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(Cl)cccc32)ccc1OC	772986697	QIVOQAXMIHUVCF-APWZRJJASA-N	400.906	5.033	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1	775540502	WEUZHYVMOAULSP-RTWAWAEBSA-N	412.537	5.043	30	20	HKED	
C#CCOc1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	775946034	IPNBKTJPZJHHSK-UHFFFAOYSA-N	416.424	5.022	30	20	HKED	
CC1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN(Cc2ccccc2)CC1	776118982	YHLXRZTVYJDAEQ-AREMUKBSSA-N	423.560	5.583	30	20	HKED	
CC(=O)c1ccc(C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	776975324	PDLKSFAJRUHAIL-HNNXBMFYSA-N	408.269	5.508	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	780982528	WQULNHFNTRDJHL-IBGZPJMESA-N	405.926	5.158	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1	781080361	WOSVVJKHFDPYTL-FQEVSTJZSA-N	405.502	5.048	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(Cl)c(C(F)(F)F)c2)c2ncc[nH]2)c1	787170600	YEHPFIDCPNDAJK-DHDCSXOGSA-N	406.791	5.514	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\Cc3cc(Br)cc(C)c3C2=O)cn1	792905222	KDVXKCXZBRUORV-LZYBPNLTSA-N	421.294	5.046	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915085259	JNKZDZNJFNPVEZ-GAZXMLTASA-N	409.489	5.189	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C\c1nc2ccccc2s1	915860122	KEJQHCKJIVLIFT-KHPPLWFESA-N	412.474	5.316	30	20	HKED	
COc1cc(C=NNc2ncc(Cl)cc2Cl)ccc1OCc1c(C)noc1C	916542389	JISSZDYEKNZEQR-UHFFFAOYSA-N	421.284	5.027	30	20	HKED	
CCCCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1	916873273	RFZOTYMMSJRXQY-AWEZNQCLSA-N	411.552	5.044	30	20	HKED	
CC(C)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	916930594	DOLILSJFWDCNEG-CXAGYDPISA-N	419.308	5.232	30	20	HKED	
COc1cc(C=NOCc2cccc(C(=O)Nc3ccccc3)c2)ccc1OC(C)C	917395175	CHYOEYMFMUOQLL-UHFFFAOYSA-N	418.493	5.285	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1ccc2ccccc2c1	917424126	DASWVXFZKVAEDB-IBGZPJMESA-N	420.896	5.090	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)c1nc2ccccc2o1	917509850	DCYCRVMLNQUODG-GOSISDBHSA-N	408.885	5.784	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(C)n(Cc2ccccc2)c1C	920101485	BLMKMCMKUSZLLF-JOCHJYFZSA-N	409.489	5.148	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1	920139574	VHFPDIQVFARNAP-HXUWFJFHSA-N	406.507	5.163	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c(C(C)(C)C)c4)CCC3)cc2)C1	1785806936	TYXZJYLYZDRSQR-UHFFFAOYSA-N	405.542	5.026	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Cl)c3)CCC2)cc1	1786103940	UVHDKAGHGSSLAN-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1	1791325017	FMVPCTRDVFGGAM-SQNIBIBYSA-N	416.512	5.158	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCCC4)cc3)CCC2)cc1	1791593390	PJOKOKDUZURNHV-UHFFFAOYSA-N	417.553	5.001	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828408628	NFPPEBOQNGRRRN-NRFANRHFSA-N	420.613	5.271	30	20	HKED	
C[C@@H](SCc1ccc(C#N)cc1F)c1nc2scc(-c3ccco3)c2c(=O)[nH]1	9937888	OGEGBFDAVGIPCD-LLVKDONJSA-N	411.483	5.250	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cccc(C)c1	11269368	GTROYXLVXRVAOF-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(C)nc(C)c2C#N)c2ccccc2)c1	22524521	UWSNHMFPPGONSC-OAQYLSRUSA-N	402.523	5.054	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2OCc2ccc(F)cc2)sc1SCC#N	44789566	FMQUCLHCGVFLMH-UHFFFAOYSA-N	413.499	5.038	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	45432764	HEVCRTZIKWNUGJ-AWEZNQCLSA-N	417.456	5.069	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSc1ccccc1F	47974580	BTEBOYMXXOLFAX-UHFFFAOYSA-N	407.470	5.314	30	20	HKED	
CCC(CC)c1nnc(/N=C(\O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)s1	51586438	PMCLNRALPRSCCE-MSOLQXFVSA-N	402.564	5.087	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(C#N)c1	65079128	NEKQODBXGYWXQQ-UHFFFAOYSA-N	423.394	5.390	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(Br)c1	71863572	VAYJYWGEZHJEMN-UHFFFAOYSA-N	423.335	5.402	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccco4)s3)cc2)c1	216838563	OZDBOSZFKCOZPD-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
CC(C)CCC[C@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1	301219269	ZERAZJPDGVXWMJ-SFHVURJKSA-N	423.582	5.234	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1	302738667	QGHPAECAQWDXNY-UHFFFAOYSA-N	410.930	5.123	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3noc(C(C)C)n3)n2)o1	303647734	SZLOIFAGSPEURU-UHFFFAOYSA-N	408.405	5.339	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Cl)ncc1Br	315400523	TXINTIJWWACWNY-UHFFFAOYSA-N	406.132	5.041	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br	410381292	JHQWAEAQJQJWHU-UHFFFAOYSA-N	414.278	5.145	30	20	HKED	
Cc1ccc(NC(=O)Cc2nc(CN[C@H](CCCC#N)c3ccccc3)cs2)cc1	433041547	WPAGAXDPUWNISN-JOCHJYFZSA-N	418.566	5.158	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	435920165	GSZRQYSGOGDZSQ-INIZCTEOSA-N	408.376	5.060	30	20	HKED	
O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436036976	JGHZBSAPZKKKDS-ZPPKWKGLSA-N	419.312	5.376	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1	438036705	IJMHPJZLVBICJP-CVEARBPZSA-N	413.974	6.349	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2ccc(C#N)c(Cl)c2)cs1	438905477	XJQBIAWIOZXDEF-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	438985296	NDRPTSVVCCDJML-ZIAGYGMSSA-N	410.486	5.823	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1NCc1coc(-c2cccs2)n1	440672178	PSJXCPDLSAVAKS-UHFFFAOYSA-N	411.284	5.198	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1nccn1C(F)F)c1ccc(C(F)(F)F)cc1	441531077	HMVDRKXOYUEYGP-OAHLLOKOSA-N	416.394	5.146	30	20	HKED	
Cc1c(Br)cccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	442667816	ASRUSHVLNBCYJW-LBPRGKRZSA-N	405.704	5.511	30	20	HKED	
Cc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C	446299011	WYPMSVRYDYDMMV-NRFANRHFSA-N	417.896	5.190	30	20	HKED	
C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC2(CCOCC2)[C@@H]1C	460559327	LZTXWOOWVUZFSJ-HNNXBMFYSA-N	421.372	5.223	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1cccs1)C1CC1	460780914	IJNMQFHOOWFNCT-VXKWHMMOSA-N	420.582	5.330	30	20	HKED	
CCc1ccc([C@@H](Nc2ccc(C#N)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1	462922765	DPRXRLOWGGYESY-HSZRJFAPSA-N	424.953	5.379	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c(F)ccc(F)c21	463734387	HIUPWVCUPRVARX-MLGOLLRUSA-N	403.454	5.004	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)c1cccc(Br)c1	463952410	SIHNIQIIWVDREL-ZIAGYGMSSA-N	403.345	5.443	30	20	HKED	
CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1	464473240	RCVIBDGILKRQJT-UHFFFAOYSA-N	412.489	5.111	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cn(CCCC#N)c2ccccc12	469465583	XQFCQZSRRZNPHG-UHFFFAOYSA-N	422.532	5.669	30	20	HKED	
Cc1cc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(C(F)(F)F)o1	472033179	LOMXXALDYJBBBX-NSHDSACASA-N	417.252	5.242	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2cc(-c3ccccc3)oc2C1	473627854	HOCQWYCFSYABFQ-KRWDZBQOSA-N	417.534	5.789	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	476124320	TZUCMKGZXPSRDC-INIZCTEOSA-N	414.908	5.323	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl	476163498	UPBROMVLBZMWMI-UHFFFAOYSA-N	412.961	6.429	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccccc1S[C@H](C)CC#N	476366181	APBKCXXBFYIBFG-CVEARBPZSA-N	401.963	5.366	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	479364254	RKTMKNZDHZPMQI-CYBMUJFWSA-N	407.461	5.440	30	20	HKED	
O=C(NC1CCC(F)(F)CC1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482453568	OMQVWUBJUMHKMW-LBPRGKRZSA-N	404.301	5.186	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1	483021477	GWYMEBDJUNYSSZ-URXFXBBRSA-N	416.569	5.006	30	20	HKED	
Cc1ccccc1N(C(=O)C[C@H](CC#N)c1ccccc1)c1nc2ccccc2s1	483073780	CPEDJEZSKLRSHE-FQEVSTJZSA-N	411.530	6.357	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N(CCC(F)(F)F)Cc1ccccc1	483712988	SRXOYCHTOCVAQC-UHFFFAOYSA-N	408.317	5.831	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1CC	485310208	MAHYKFOVVJVNDU-UHFFFAOYSA-N	419.916	5.180	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	485333212	UINNSBQCBYOMTF-UHFFFAOYSA-N	405.542	5.848	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2nc(C(F)F)sc2c1	490684254	MADYIQBMZHQHOA-NVXWUHKLSA-N	412.465	5.538	30	20	HKED	
CC[C@H](C)Oc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	500560326	UVDUIVKCTOUCKA-IBGZPJMESA-N	416.525	5.510	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2nc(C)c(C)n2C2CCCCC2)c1C	501605548	HCVROADGTQFCEQ-UHFFFAOYSA-N	424.614	5.661	30	20	HKED	
N#Cc1ccc(C2=CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)cc1	502535236	WYHSALAURBGOHJ-UHFFFAOYSA-N	420.310	5.265	30	20	HKED	
COCc1cccc(OCC2(CNc3ccccc3Oc3ncccc3C#N)CC2)c1	502596795	PYWQQFDNOBLVFJ-UHFFFAOYSA-N	415.493	5.163	30	20	HKED	
N#CCCCCNC(=O)c1sc2ccccc2c1CSc1ccccc1Cl	505047460	FVSLRIXEAZFMBI-UHFFFAOYSA-N	414.983	6.271	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	506478907	CKJBPKZNYNQMQQ-HXUWFJFHSA-N	403.844	5.187	30	20	HKED	
Cn1ccnc1[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(Cl)cc1	507635496	LUFYXJQFCGVAJT-MHIUNMELSA-N	404.945	5.157	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)CC1	508320890	CWQSYAAKYYDOAP-LJQANCHMSA-N	403.860	5.043	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	510858602	WYYXUVGKXMPVKX-GOSISDBHSA-N	404.297	5.633	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	512151231	YDQSLKWGQWRKDP-LJQANCHMSA-N	404.510	5.164	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2ccccc2[nH]1	513667465	UECWRCDLVIROJT-SFHVURJKSA-N	408.436	5.195	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	517472884	DSDPTQQREVBVAZ-MRXNPFEDSA-N	401.963	6.034	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(CCC)cc2)c2cccs2)CC1	519282664	JVVOQNAXPHAFBU-QHCPKHFHSA-N	411.615	5.130	30	20	HKED	
CS[C@H]1CCC[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	522704674	KYSHLZZTJFTXAQ-IRLDBZIGSA-N	409.555	5.127	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)COc2ccccc2C#N)nc1-c1ccccc1	524814206	GJLKDBRJOYTFDF-HXUWFJFHSA-N	415.493	5.079	30	20	HKED	
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1	536834321	UQHCHZGNYPUVKN-CJFMBICVSA-N	410.521	5.609	30	20	HKED	
C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	537696745	IVKRTAHERJAMKM-CVEARBPZSA-N	401.441	5.033	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	538293398	IEYYTEBNZNPBSS-UHFFFAOYSA-N	416.525	5.564	30	20	HKED	
N#CCC[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccccc1	538427310	LJTSGEFNVDIKQU-QHCPKHFHSA-N	403.913	5.727	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](Cc3ccc(Cl)cc3)c3ccccc3)o2)c1	539278265	JFCBVSYZHLNEOF-JOCHJYFZSA-N	414.896	5.335	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(C4CCCCC4)n3)n2)cc1	540686119	YKFNXZWABZXRPU-IBGZPJMESA-N	420.538	5.319	30	20	HKED	
Fc1cccc(F)c1C(F)(F)c1nc(-c2ccc(COCC(F)(F)F)cc2)no1	546333054	SXXIVQUDANJBBU-UHFFFAOYSA-N	420.284	5.234	30	20	HKED	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(C#N)c(Cl)c1	547951197	BVXFGVIOFTYNTB-UHFFFAOYSA-N	424.715	5.009	30	20	HKED	
Cc1ccccc1-n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2c1CCC2	552694562	HCSYOYNMLPHKOK-LJQANCHMSA-N	424.529	5.283	30	20	HKED	
C=CCC[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(F)(F)F)cc1	552924972	ROBPTAPVVWXNOC-FQEVSTJZSA-N	406.448	5.200	30	20	HKED	
C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Br)cc1C(F)(F)F	556611812	XKCDWTAMTHUPIG-LBPRGKRZSA-N	409.249	5.679	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H]3c3cccc4ccccc34)C2)c(F)c1	557455479	ZTNCXZWEZXBIPR-HYBUGGRVSA-N	413.496	5.041	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Oc2ccccc2)cn1	567064063	PTZKYGYTBFRIET-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2cccc3c(Br)cccc23)CC1	570741684	HOFCMXSMXWZBBI-UHFFFAOYSA-N	406.327	5.055	30	20	HKED	
N#CCCCOc1cccc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)c1	577872170	XLPHHRSMKIQPCN-UHFFFAOYSA-N	416.924	5.043	30	20	HKED	
Cc1nc([C@H](C)N(C)CCOCc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	582248875	VRTJWUWRVSWZEB-KRWDZBQOSA-N	409.917	5.385	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1	583195739	QLMIZQYHGWZXHQ-UHFFFAOYSA-N	424.324	5.037	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690088	HWVUECNIYJLDKO-IBGZPJMESA-N	404.495	5.348	30	20	HKED	
N#Cc1cccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1	604539042	BOLWOMHHIRGPHH-UHFFFAOYSA-N	411.292	5.494	30	20	HKED	
C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1F	608847608	SRDQXRHRDYVKNC-SFHVURJKSA-N	404.460	5.559	30	20	HKED	
CCc1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1	609062234	HPVIAQRQSIQTGF-UHFFFAOYSA-N	411.914	5.370	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2F)c1	609106518	MWVKALICUQSGSE-UHFFFAOYSA-N	413.452	5.329	30	20	HKED	
N#CCn1c(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc2ccccc21	609170154	KHUYGHZIDPNIHD-UHFFFAOYSA-N	409.493	5.260	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc2ccccc12	609371572	NZLURASOPMSFHY-KRWDZBQOSA-N	406.576	6.106	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2)no1	609377872	IKSIFYWJEPQCPP-UHFFFAOYSA-N	417.412	5.618	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	609642729	GAFDMXIDXAQBHN-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	610431348	GRKQHCKKXXOHQV-UHFFFAOYSA-N	405.348	5.198	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)c1	610877550	UHPFHUPPYLYMNC-URLYPYJESA-N	413.749	5.243	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	611549580	WFYNOYJJDJVGAG-WMLDXEAASA-N	404.457	5.512	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	611899318	UKANDIYKLQMVQQ-AWEZNQCLSA-N	420.299	5.895	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613318741	AWXBGKPYTJDJMM-KRWDZBQOSA-N	419.893	5.917	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	681492164	NLJIGRBCQLMEKY-NSHDSACASA-N	410.280	5.293	30	20	HKED	
CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)c1cccc(C(F)(F)F)c1	726485125	VBCGKGNZQFWTHH-LBPRGKRZSA-N	411.880	6.010	30	20	HKED	
Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)[nH]c2C)c1	726570476	AOKLCUAKZPMUBQ-UHFFFAOYSA-O	423.949	5.076	30	20	HKED	
Cn1cc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c2ccccc21	726740646	NGCLBCLDUGDDTQ-BUHFOSPRSA-N	414.892	5.980	30	20	HKED	
N#CCCCOc1cccc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c1	726743339	DFYVOGQDNRQVPF-WDZFZDKYSA-N	401.418	5.223	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)nc1Cl	727997035	QUGZQPSALJYWQL-UHFFFAOYSA-N	412.276	5.400	30	20	HKED	
CC(C)[C@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	728765107	ZNOZHNVRHDVRFC-ZWKOTPCHSA-N	419.550	5.282	30	20	HKED	
CC(C)c1[nH]nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1Br	730276983	VPWYKAJGADIBIW-KRWDZBQOSA-N	423.314	5.203	30	20	HKED	
O=C(c1sccc1SC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	730484469	SDUVOPNHBHFKAN-RNFRBKRXSA-N	413.355	5.266	30	20	HKED	
COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)cc(Br)c1OC(F)F	730949084	RMVSSCMVAZJMHZ-AWNIVKPZSA-N	409.226	5.190	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccc2)ccc1Cl	731982487	WIMVJLRGWQKYLW-UHFFFAOYSA-N	411.892	5.756	30	20	HKED	
O=C(/C=C\C1CCOCC1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	732707837	GYSIQEVJZCWUTI-KTKRTIGZSA-N	420.559	5.590	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccccc1	733084045	VWMAIBXJEDIJLM-KHPPLWFESA-N	416.462	5.109	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1Br	733266267	GNAQWDWDEBEIAP-INIZCTEOSA-N	412.114	5.070	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC	733615804	XUOMJFCJAVCMBO-LJQANCHMSA-N	423.557	5.945	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(SC)sc3c2)c1	733842465	WFGUTDVITVQSJX-HNNXBMFYSA-N	412.540	5.021	30	20	HKED	
O=C(c1sccc1-c1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	735262469	JDABIYSYVOVJLM-UHFFFAOYSA-N	411.342	5.511	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740061021	ZRQQRVXGDBCGFB-MRXNPFEDSA-N	405.523	5.198	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1SC	741447261	KCKZOGJCMOOTBY-QPEQYQDCSA-N	416.564	5.030	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)c1	742679647	YZQXULXPFSUGPJ-DQXUBXGMSA-N	402.416	5.106	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1cccc(C#N)c1	743133281	QPYLPMHGALKNGO-INIZCTEOSA-N	402.523	5.065	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(F)(F)F)c(C)c2)ccc1OC	743222453	HOWGOIKESMBTHT-MRXNPFEDSA-N	421.419	5.025	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1	744027926	DZLIZEWQWQQOOS-JXFKEZNVSA-N	402.425	5.069	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	745189549	BDUPFIUMCZMBHU-UHFFFAOYSA-N	421.928	5.254	30	20	HKED	
CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(NC(C)=O)cc2OC)cc1OC	747704745	FNMKZUWUHLWFNS-RMKNXTFCSA-N	417.889	5.001	30	20	HKED	
C[C@H](O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	749347847	BZRHAUCZCVSBFJ-KSFYIVLOSA-N	419.912	5.370	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1F	752487091	HKKDABKOJMENIM-BXUZGUMPSA-N	418.415	5.737	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\SCc2ccco2)cc1	753983547	IJWFVQLCYBQLIH-QINSGFPZSA-N	404.491	5.310	30	20	HKED	
CC(C)Cc1ccc(CCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	754527602	FERIMYHFWDCZTQ-NRFANRHFSA-N	403.551	5.603	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)cc1	761620163	URFRCDLFDQUSHJ-NHCUHLMSSA-N	403.507	5.009	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)n2)cc1	766342274	MRQCNFGMVXGTJR-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
Cc1cc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2cc1C	770838512	JPSSKDZXNHEPDC-FQEVSTJZSA-N	424.456	5.803	30	20	HKED	
C=CCOc1cccnc1C(=O)O[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	775115221	XYGMPCVWPIQDBE-LBPRGKRZSA-N	419.264	5.526	30	20	HKED	
N#CCc1ccccc1CC(=O)N(Cc1ccccc1Br)C1CCCC1	777036538	JENCWDHCHFMJSX-UHFFFAOYSA-N	411.343	5.029	30	20	HKED	
CC(C)Oc1ccc([C@H]2CCC[C@@H]2Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777117998	PYZUCVSDNVAKSD-RPBOFIJWSA-N	419.569	5.055	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1	782682383	GEQYEELFRWBMOM-INIZCTEOSA-N	417.456	5.145	30	20	HKED	
C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782778247	PAKZTWMGUBCQMR-IAGOWNOFSA-N	418.928	5.342	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(F)ccc1Br)c1nc2cc(F)ccc2s1	784865784	AJTAPSASBMMQEQ-CYBMUJFWSA-N	421.266	5.146	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1sc(C2CCCCC2)nc1C)c1ccccc1	787038628	OKTJUBKYVABBPQ-RBUKOAKNSA-N	409.555	5.089	30	20	HKED	
O=c1[nH]ccc2cc(NN=Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)ccc12	789076205	HQGKLTIZLVXXLO-UHFFFAOYSA-N	414.412	5.116	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cn2ccccc2n1	791429227	ZOLIGKKBKDQVRC-VAWYXSNFSA-N	401.853	5.136	30	20	HKED	
C[C@H](NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1	806181036	KDDWFZHOBIQPAC-SFHVURJKSA-N	421.541	5.127	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	806521067	XVMLLESMEIXONB-DEOSSOPVSA-N	413.562	5.060	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccnc(O)c1	806556107	MPMHUFXLNPIRRE-DHZHZOJOSA-N	401.853	5.189	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1CC	839384552	FYMBWJZEPJSBEL-UHFFFAOYSA-O	401.555	5.190	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc(CSc3ccccn3)c2)c1	864008773	OTLSBZDKTULTFM-UHFFFAOYSA-N	410.340	5.620	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	916628653	XJPOBDCNMMEEPC-SFHVURJKSA-N	412.967	6.131	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1	916912439	ZHGRYAYHKBSEKX-FQEVSTJZSA-N	418.880	5.412	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccs3)n2)cc1	916951585	ZDZBNYDLFORMSF-CJNGLKHVSA-N	409.536	5.346	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Oc1ccc(NC(=O)c2ccco2)cc1	916957658	VYXPVCZNLRLKGG-UHFFFAOYSA-N	408.413	5.290	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)o2)cc1	917045356	YKGZGDMJMSBLAI-MRXNPFEDSA-N	421.909	5.722	30	20	HKED	
Sc1nnc(SCc2ccccc2)n1N=Cc1cccc(OC2CCCC2)c1	917542437	CIDZFEJPHJNIAN-UHFFFAOYSA-N	410.568	5.063	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccccc2C(F)(F)F)nnc1-c1ccccc1F	918748232	PJCXBHLXICPUPB-KRWDZBQOSA-N	423.435	5.115	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc(OC(C)C)c2)c1	921258498	IIRYQDJSVRWBMC-UHFFFAOYSA-N	424.570	5.247	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2O)cc1	1627614297	KIODGLQKXVWDKQ-UHFFFAOYSA-N	415.396	5.081	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1	1791298582	DOWQIUINLATDEZ-UHFFFAOYSA-N	423.463	5.127	30	20	HKED	
C[C@H](C#N)Sc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1	4246844	RBMPOXYHSZSQOX-LLVKDONJSA-N	408.836	5.611	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Br)ccc2Cl)sc2c1CCCCC2	5506175	WFCGEWOURWHLJE-UHFFFAOYSA-N	409.736	5.557	30	20	HKED	
CCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccccc1SCC#N	11623760	YLXZENBMVGWQJP-UHFFFAOYSA-N	423.460	5.160	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1	17268952	QJTZJGTWIOZHOJ-UHFFFAOYSA-N	417.943	5.399	30	20	HKED	
Cc1c(C#N)c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2c1CCC2	24851533	ISCHQHWFZHEOIA-NSHDSACASA-N	406.338	5.177	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc(C(F)(F)F)cn1)c1nc(-c2ccccc2)cs1	26051153	QRUFLSQOJCMKKI-AWEZNQCLSA-N	419.453	5.192	30	20	HKED	
CCOCc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	30480391	HJEFDQVJJXTRAQ-UHFFFAOYSA-N	416.546	5.317	30	20	HKED	
CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C	51677734	GLOYYLXTXHRDCS-AWEZNQCLSA-N	417.412	5.072	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1	55891618	FJUWSNACTVLRCG-UHFFFAOYSA-N	410.901	5.151	30	20	HKED	
C=CCn1c(SCc2cc(Br)ccc2F)nnc1-c1ccoc1C	72042169	DNBMWZCPVZUXET-UHFFFAOYSA-N	408.296	5.226	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(COc2ccc(Br)cc2)o1	303210490	OMNNEXXLWMNRBE-UHFFFAOYSA-N	419.319	5.023	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1)[C@H](C)C1CC1	303349630	DWUYMBMQXOOPOQ-RTBURBONSA-N	407.583	5.320	30	20	HKED	
N/C(=N/Cc1ccccc1-c1ccc(Cn2ccnc2)cc1)Nc1ccc2c(c1)CCC2	303970479	CPUSGYHXVUGVEE-UHFFFAOYSA-N	421.548	5.014	30	20	HKED	
C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1	410374045	LUCOJEBSDPJYBH-IBGZPJMESA-N	404.558	5.184	30	20	HKED	
N#Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c(Cl)c1	430358347	UMLMTXONKXADTC-UHFFFAOYSA-N	404.882	5.378	30	20	HKED	
Cc1nn(C)c(Sc2ccccc2)c1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430621505	KAWOTBIREUKGPX-HNNXBMFYSA-N	410.568	5.124	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)ccc21	430637929	DQLIGMMLXAQSQB-SFHVURJKSA-N	409.555	5.149	30	20	HKED	
N#CCCn1cc(CN(Cc2ccc3ccccc3c2)C2CC2)c(-c2ccncc2)n1	435131479	ZGSUPKRTXHCRRN-UHFFFAOYSA-N	407.521	5.177	30	20	HKED	
COc1ccc(Oc2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)cn2)cc1	439388782	PQXOBGSGVBIEPN-OAQYLSRUSA-N	402.454	5.049	30	20	HKED	
CCCCn1ccnc1-c1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1	439484268	CTVXQSBPTGUIRH-JOCHJYFZSA-N	401.514	5.517	30	20	HKED	
Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	440132040	BPUIDXSMHUATJJ-UHFFFAOYSA-N	424.504	5.002	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1C(F)(F)F	443884582	XXFMBXDPEDIDCV-UHFFFAOYSA-N	424.382	5.473	30	20	HKED	
CC[C@H](c1ccccc1)N1CC(=O)N(c2cccc(Oc3ccc(C#N)cc3)c2)C1=O	445958944	YZFNKWJQQXKDMY-HSZRJFAPSA-N	411.461	5.270	30	20	HKED	
Cc1cc(-c2ncccc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cs1	446425189	IZMXTSWRRSCDKP-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
C[C@H]1CCCN(c2cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)ccn2)C1	464179219	AGUVHUTYTGVOAU-XJKSGUPXSA-N	410.930	5.071	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cc1	464456287	RHRNZOIJLKNARN-LJQANCHMSA-N	408.457	5.380	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccncc1	465957931	RTWIMUQZKUAGSY-FQEVSTJZSA-N	406.873	5.672	30	20	HKED	
Cc1c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)ccc(C(F)(F)F)c1F	470584262	QYDBQFHXQRRFMK-ZETCQYMHSA-N	400.319	5.119	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C	471251778	SGUNWROBFKQWNQ-NRFANRHFSA-N	419.569	5.620	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cc3cccc(F)c3o2)cc1	473877486	OZDPBFMVVKWCBO-INIZCTEOSA-N	421.472	5.269	30	20	HKED	
N#CCCn1ccc(NC(=O)NCc2cccc(Oc3ccc4ccccc4c3)c2)n1	476128771	BPNNVVMQXFUUAE-UHFFFAOYSA-N	411.465	5.064	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12	476784930	AKLURRCWOTWGHQ-UHFFFAOYSA-N	405.454	5.012	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2n[nH]c3cc(F)ccc23)cc1	476804072	ZZGFYKLRHLSJEZ-UHFFFAOYSA-N	402.454	5.118	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(F)c(Br)cc1Cl	477003127	RSARUBHHBNWLOO-UHFFFAOYSA-N	410.714	6.346	30	20	HKED	
C=C1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CC1	477445670	HCLINKFCDHJMRF-XYUDRNGQSA-N	409.414	5.287	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479191859	QWJNSKFNVQXWQM-QLOJAFMTSA-N	409.555	5.029	30	20	HKED	
CC[C@@H](C)n1nc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C	480382766	JDFQUGVYARQLBP-QGZVFWFLSA-N	417.513	5.452	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccccc1C	481406372	WKYPTADJJGGCTJ-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C=C(C)[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)c(F)c1	481619458	GNIZQLVCMXXRAZ-KRWDZBQOSA-N	419.686	5.771	30	20	HKED	
C=CCOc1c(Br)cc(CNC2(c3ccc(Cl)cc3)CC2)cc1OC	482180796	CQMQJYUDWRLYBS-UHFFFAOYSA-N	422.750	5.455	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(F)c(F)c1	483293870	NARJDHALIZAHQM-NRFANRHFSA-N	410.468	5.048	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@H](C#N)c1nc2ccccc2s1	483440673	MTSASYFJAIOMSR-LBPRGKRZSA-N	423.881	5.412	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1	485415386	QAKKQDPBUDPANB-UHFFFAOYSA-N	421.541	5.304	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N	488777122	FOWKDDAKQJDOAF-STQMWFEESA-N	407.461	5.605	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nc(Cc2ccc(Cl)cc2)no1	488793629	CKKHGAQENKZUQC-JTQLQIEISA-N	424.835	5.453	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nnc(-c3ccc(Cl)cc3)o2)c1	492212324	YCFSHUSYWTUPRS-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
CC[C@H](c1ccc(F)cc1F)S(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1	494717904	GQJIJTFQBDYWKK-HSZRJFAPSA-N	411.473	5.570	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccc(Cl)c2)nnc1[C@H]1COc2ccccc2O1	497670254	DVEJAFRHYVDQDS-IFXJQAMLSA-N	413.930	5.483	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1sccc1C#N	497995351	VZEBWCUTZPXTLM-AWEZNQCLSA-N	400.956	5.608	30	20	HKED	
C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	499741447	HJLAKTHRLIKZHR-RDPSFJRHSA-N	412.574	5.084	30	20	HKED	
Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)cc1F	500012615	WMGIEJIKFYZQHM-UHFFFAOYSA-N	423.831	5.029	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC=C(c3cccc4ccccc34)C2)c1	501603322	YMTMIYZKYLZBIL-UHFFFAOYSA-N	420.468	5.423	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Nc3cccc(OC(F)F)c3)c2)cc1	502314808	REOTXQRPGQUJMJ-UHFFFAOYSA-N	423.419	5.577	30	20	HKED	
N#C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1cccc(Cl)c1Cl	505349164	KHKAGOQTEXCSMV-CQSZACIVSA-N	406.656	5.296	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nc(-c2ccc(Cl)cc2)n1	505383600	AUYAWDBMPCODAE-RBBKRZOGSA-N	416.912	5.017	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1Br	505579333	QBSWPUYOOXKPAB-ZDUSSCGKSA-N	416.319	5.142	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccncc1	505767527	TWQALRCCYOPFHW-UHFFFAOYSA-N	419.579	5.640	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc(Br)s2)cc1	510509214	CXTGLEYRRPZKSN-UHFFFAOYSA-N	413.296	5.356	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510695207	BHPHKWDAEJQNCD-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)nc(C)n1	511943340	NDBFHENMQFMFHR-CQSZACIVSA-N	413.264	5.078	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)n1-c1nccs1	517847572	RYJBOKXSTYMXNQ-UHFFFAOYSA-N	414.490	5.467	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1	518266420	XLNVEYVEFDJCGR-FQEVSTJZSA-N	400.522	5.775	30	20	HKED	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	518739203	STLZIZXRIBYDTE-CABCVRRESA-N	413.568	5.159	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1	519424956	NVMMTLOKYZCVGY-CQSZACIVSA-N	411.527	5.382	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(Cl)c1Cl	519486568	PELWLHWBKFFFQP-HNNXBMFYSA-N	406.656	5.296	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	520939235	NXVHSUHKTXMBPC-WIYYLYMNSA-N	410.587	5.285	30	20	HKED	
COc1ccc(CC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1	520941016	BJRDCABSKCDIGW-GOSISDBHSA-N	423.582	5.576	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(OCc2ccccc2)cc1	522529814	FSYXNPPIAYMVIN-MZKRTTBSSA-N	418.443	5.028	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC(c3ccccc3F)CC2)ccc1OCC(F)(F)F	523021619	OLPCWTINEOYGMX-UHFFFAOYSA-N	421.394	5.050	30	20	HKED	
Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	523421658	LIVIHUSNESNZNJ-QKKBWIMNSA-N	422.916	5.353	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(OCCCC#N)c2)ccc1OCC(F)(F)F	523444673	FBVWGPTVENPXRQ-UHFFFAOYSA-N	407.392	5.263	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1NC(=O)Nc1ccccc1	525513983	AVOALAIWSHFPEV-IBGZPJMESA-N	423.476	5.314	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)s2)cc1	525797834	JEXQCJZDZGEXKZ-UHFFFAOYSA-N	417.412	5.270	30	20	HKED	
COc1cccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)[nH]2)c1	536767697	NTAUAMZLZHMCNC-HNNXBMFYSA-N	422.897	5.147	30	20	HKED	
N#CC1(CCCNc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CCOCC1	538611145	GJNDONAWQRENGD-XMMPIXPASA-N	417.553	5.176	30	20	HKED	
Cc1cc(C)cc(-n2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2C)c1	540722506	FJYQTLYUDXBFMZ-QGZVFWFLSA-N	404.539	5.302	30	20	HKED	
Cc1cnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1	542124411	ZEHAZQUKFZDWKA-LBPRGKRZSA-N	406.248	5.414	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2ccc(CC#N)cc2)c1	542360908	NVRGUALREJBIQZ-RPBOFIJWSA-N	411.505	5.524	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)Nc1ccccc1S[C@H](C)CC#N	542679444	WECCREWYNBLMPT-QGZVFWFLSA-N	411.571	6.430	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Br)c(Cl)c1Cl	543646302	KUCDSCGUXFPBLH-UHFFFAOYSA-N	413.102	5.291	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2COC(C)(C)CC)cc1	543646394	MHGOKJRKSLVBAH-UHFFFAOYSA-N	410.518	5.343	30	20	HKED	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	544615888	PHWXLSHYEGQDFC-IIBYNOLFSA-N	416.456	5.500	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C#N)CC1	555241373	YIWOWPJFVWWRSM-KRWDZBQOSA-N	413.953	5.004	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)nc1	559303781	ZMVOUPGXQNFVCF-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
CC(C)CN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H](C)c1ccccc1Cl	560188080	BHRHHNHCTNMRDM-AWEZNQCLSA-N	418.324	5.049	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(C(F)(F)F)cc2)nnc1-c1ccoc1C	579119948	SIPQGUPEGYKZTE-UHFFFAOYSA-N	407.417	5.026	30	20	HKED	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	581207917	JJPTYDHHRISIOV-AVRDEDQJSA-N	421.972	5.223	30	20	HKED	
N#CC1(c2nc(-c3ccccc3Nc3ccccc3C(F)(F)F)no2)CCOCC1	581910309	UWUXDEAZPZPECG-UHFFFAOYSA-N	414.387	5.071	30	20	HKED	
COc1ccc([C@@H](NC(=O)CCCCCC#N)c2ccccc2)cc1Br	588920194	UXPJXGGZRONTLM-NRFANRHFSA-N	415.331	5.137	30	20	HKED	
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2c(F)cccc2F)cc1	589339197	WHLIAYJLHURHEE-KRWDZBQOSA-N	418.491	5.218	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCC2)ccc1C	604543751	GULAFFAHRGZCJE-UHFFFAOYSA-N	413.477	5.123	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c[nH]cc1-c1ccc(F)cc1	607887471	GGCCAQOCHDDEJR-IMRBUKKESA-N	422.344	5.460	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc2cc(C(F)(F)F)ccc21	608553165	WJOQCYMTXRICHF-ZDUSSCGKSA-N	417.387	5.436	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1C#N	609032563	PBLKVYOSQJUSSY-UHFFFAOYSA-N	421.570	5.428	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Cl	609057594	XBLVOUNBOHRRDV-UHFFFAOYSA-N	410.857	5.423	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	609260995	AZFQNQKOIXXMPR-JOCHJYFZSA-N	408.473	5.328	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1	609428199	CULOOTPXBMMGCO-MRXNPFEDSA-N	406.482	6.265	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1C	609435260	BIPJGEQDFTWWFM-LJQANCHMSA-N	423.582	5.773	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1	609736960	VCVYYCHRAHBNFV-WAIKUNEKSA-N	421.591	5.670	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](Sc2ccc(C#N)cc2F)c2ccccc2)c([N+](=O)[O-])c1	610165728	JNXHGYIUOCPLRZ-NRFANRHFSA-N	421.453	5.386	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](Sc1ccc(C#N)cc1F)c1ccccc1	610219070	RPWUMSRKSJKZIZ-QFIPXVFZSA-N	406.482	5.568	30	20	HKED	
Cc1noc(C)c1N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	610743720	MQYBIJCHWINFFP-UHFFFAOYSA-N	410.861	5.064	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(C#N)c1	614253657	MUNCGZUKOBNXFJ-BDJLRTHQSA-N	415.337	5.241	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ncc(-c2ccc(F)cc2)o1	623329831	YHBGQSOCVWPMTH-CQSZACIVSA-N	402.516	5.238	30	20	HKED	
C=CCc1cc(CNc2ccccc2CN(C)C(=O)c2cccs2)cc(OC)c1O	676326267	XRUBTASQORWPHC-UHFFFAOYSA-N	422.550	5.075	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C#Cc3cccs3)c2)o1	681026704	XSZNYHLHFTVDPY-NRFANRHFSA-N	406.507	5.256	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1ccc2ccccc2n1	683372491	LYZWYVMYFUXBDC-QHCPKHFHSA-N	401.469	5.728	30	20	HKED	
C=C[C@@H](CC(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)c1ccccc1	684539249	UABAFMTYKXIFIW-HNNXBMFYSA-N	418.522	5.086	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)OCc2cnc3ccccc3n2)cc1	726342339	SMTUQKXPZUQYFH-UHFFFAOYSA-N	411.486	5.151	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cc1	726479980	BXDRIZZYURUOLQ-UHFFFAOYSA-N	404.882	5.685	30	20	HKED	
C/C(=C\C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccccc1Cl	727301705	DAJQYSUKULZIJH-FYWRMAATSA-N	403.869	5.749	30	20	HKED	
C[C@H](Oc1cccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1)C(=O)O	727685143	BNEPYBPTLGNRTL-XDUBLRSXSA-N	423.465	5.014	30	20	HKED	
N#CCOc1ccc(CNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)cc1	729969517	HOTRRLYAEGNQKU-QFIPXVFZSA-N	424.472	5.017	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccccc1	732039125	UELWTAGWJUCKMA-NRFANRHFSA-N	406.482	5.154	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	733641046	WZIRCUHGQIEPLH-UHFFFAOYSA-N	419.872	5.014	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1Cl)c1ccncc1	740481511	YOFSYSABMPNIRE-XZOQPEGZSA-N	421.928	5.450	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1sc(-c2ccc(Cl)s2)nc1C	741641520	XZOLCCAYURNTHE-UHFFFAOYSA-N	406.891	5.237	30	20	HKED	
CCC(=NNc1ccc(Br)cc1C(F)(F)F)c1c(C)nn(C)c1C	741842381	JHAFHXWQXMKYRP-UHFFFAOYSA-N	403.246	5.044	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C\C(=O)c3ccc(S(C)(=O)=O)c(F)c3)ccc21	741843145	YYJLFIOLYBOLCY-XFXZXTDPSA-N	421.493	5.253	30	20	HKED	
Cc1nc(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cs1	742785510	YPJNQNJLNACWRE-UHFFFAOYSA-N	417.412	5.316	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc3nc(C4CC4)sc3c2)cc1	743472457	GFYCCEYWJDCAKT-INIZCTEOSA-N	404.539	5.229	30	20	HKED	
O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1ccc(-c2ccncc2)cc1	745990115	KMPVFYCPNNDEFH-KTKRTIGZSA-N	421.500	5.030	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2ccc(Cl)cc2)n1	746175525	ZCZOZWONJHTUMF-UHFFFAOYSA-N	405.262	5.216	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(-c2ccccc2)ns1	747204704	KILYODSCNIRGMT-CYBMUJFWSA-N	416.289	5.078	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2)cc1	747377371	VMCWSXXMOFCADN-OAQYLSRUSA-N	412.880	5.433	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1	748610941	WNPINGATLSLMBT-SFHVURJKSA-N	412.465	5.339	30	20	HKED	
Cc1noc(C)c1[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	750397570	OIHSAPDOGWFCPM-YMTOWFKASA-N	420.321	5.702	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)c(F)c2)cc1	751602440	NHRZPFFTZCXJAJ-IBGZPJMESA-N	423.285	5.425	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CCC(F)(F)F)cc2)cc1	752476928	GNTRMCPFTBMPBG-FQEVSTJZSA-N	416.443	5.485	30	20	HKED	
Cc1ccnc(-n2c(S[C@@H](C#N)c3ccc(Cl)cc3)nc3ccccc3c2=O)c1	752934175	OTFCVVBWAPDSHI-IBGZPJMESA-N	418.909	5.100	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2cc(C(F)(F)F)ccc2Cl)ccc1OC	753854051	PIIPKKQMEDPSDU-INIZCTEOSA-N	412.839	5.338	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(F)c2)C2CCCC2)c1	757207731	FDNFJROPTVKRDI-QFIPXVFZSA-N	409.505	5.161	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccncn1	760333952	MUXNDHZOTNJHMQ-YWZLYKJASA-N	414.317	5.493	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(Cl)nc2C(F)(F)F)cc1	766892902	DBOBMOHDCFFCBF-UHFFFAOYSA-N	412.795	5.016	30	20	HKED	
Cn1cc(C=NNc2ccc(Cl)cc2Cl)c(-c2ccc3c(c2)OCCCO3)n1	767822670	MSRGOOSEROSJTK-UHFFFAOYSA-N	417.296	5.001	30	20	HKED	
Cc1cccc([C@H](O)CN(Cc2ccccc2)Cc2ccc(O[C@@H](C)C#N)cc2)c1	769545926	SBOLPUJKBHJVRL-HFZDXXHNSA-N	400.522	5.022	30	20	HKED	
Oc1ccc(Cl)cc1C=Nc1cccc(Oc2ncc(Br)cn2)c1	769774765	SSGPPQHXRILYBJ-UHFFFAOYSA-N	404.651	5.141	30	20	HKED	
C#Cc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1	772225018	SBJGHLJEKDDCGL-SFHVURJKSA-N	417.534	5.212	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1ccccc1SCc1cscn1	774345982	YPKIMNTYHYAUCW-INIZCTEOSA-N	416.474	5.005	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2csc(-c3ccccc3OC)n2)cc1	774579380	JXBIYUDDSCRVAT-UHFFFAOYSA-N	422.506	5.080	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)CCCc2ccc3ccccc3c2)ccc1OC	775738451	DZHKHCAGMSCPNB-QHCPKHFHSA-N	416.521	5.168	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCCC4)cc3)n2)cc1	777311091	XSTRWBMZCDKBEB-OAQYLSRUSA-N	412.518	5.162	30	20	HKED	
COC1CCN(c2ccc(N[C@H](C)c3ccc(C#N)c(F)c3)cc2C(F)(F)F)CC1	777680030	LGTPMHCXXFCTLY-CQSZACIVSA-N	421.438	5.504	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)Nc3ccccc3O[C@H](C)C#N)ccc2C)c1	780585194	XGUSEYALSBTJOJ-QGZVFWFLSA-N	402.454	5.426	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=O)Nc1ccccc1O[C@H](C)C#N	780670091	JCOKMBVRCAFDJN-OAHLLOKOSA-N	416.319	5.184	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(OC)c(C(C)C)c(OC)c2)cc1	781447188	DIUQYNKBFKJZLR-OXJNMPFZSA-N	422.525	5.302	30	20	HKED	
CCCc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccccc1	783088116	GMMKXHDIZWJFRW-UHFFFAOYSA-N	403.486	5.151	30	20	HKED	
C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	786581348	BYQMUEWWRIUZHR-LLVKDONJSA-N	400.866	5.233	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2ccc(SC(F)F)cc2)c(-c2ccncc2)n1	788354727	ISMGRHVOLKCVLO-QPJJXVBHSA-N	410.449	5.070	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)ccc21	796653268	GMJYGTWJJSGKCM-QGZVFWFLSA-N	417.465	5.006	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1	796818356	TUUKMNPVVGHAOV-NQIIRXRSSA-N	404.432	5.507	30	20	HKED	
C[C@@H](Cn1ccc2ccccc21)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	796902349	CAZOOLJJBYHECT-GOEBONIOSA-N	421.472	5.556	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccc(C(=O)C(C)C)cc3)n2)cc1	802043744	OUKBFZQSYOLMRN-UTKZUKDTSA-N	416.546	5.937	30	20	HKED	
Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)n(CC(C)C)c1C	809486028	NUZSNZIKOULWLD-GOSISDBHSA-N	424.595	5.248	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC	809618561	JOBMBTCJESWTQS-HNAYVOBHSA-N	406.448	5.288	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2csc(C(C)C)n2)cs1	812243967	WZHMFKAOSCWMSO-YFHOEESVSA-N	411.552	5.612	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1	815788375	DBCRSLLTXDYCAC-XMMPIXPASA-N	411.505	5.152	30	20	HKED	
FC(F)(F)c1nc(NN=Cc2ccccc2OCc2ccccn2)c2ccccc2n1	819840783	HLKWPTUPKXJDLH-UHFFFAOYSA-N	423.398	5.069	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(-n4cccn4)cc3)c2)cc1	912859177	FOTJZIBCAZRUCX-UUASQNMZSA-N	423.472	5.029	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	916154807	VTWKKTOWNXPFJX-LICLKQGHSA-N	407.322	5.756	30	20	HKED	
N#CCCn1cc(C=NN(Cc2ccccc2)Cc2ccccc2)c(-c2ccccc2)n1	916368045	VHFXTTFDENDFGU-UHFFFAOYSA-N	419.532	5.500	30	20	HKED	
C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917043493	JEKLUXQCHUXFGN-IINYFYTJSA-N	407.347	5.960	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1-n1cccc1	920140166	CKDKKVNUEFRQGM-HXUWFJFHSA-N	408.486	5.271	30	20	HKED	
COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1	920878318	GMQXAHWZYUCTMS-QFIPXVFZSA-N	422.488	5.097	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C=O)s3)cc2)CCC1	1788151592	QXZZIMQQHRTGOD-FQEVSTJZSA-N	422.550	5.077	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	1797870219	UZPASFBIPKKCCF-JIKXHTODSA-N	414.634	5.224	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(C)cc1C	10168461	PUUQZEZWFBRLDO-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)cc2Cl)cs1)c1ccccc1F	18963644	QJNWPVTZHZVLSG-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2cccn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	41514828	DCGPKMWUPIYXIZ-GOSISDBHSA-N	404.882	5.139	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cn1	41553945	GPNPQDHDGWOOAX-ZDUSSCGKSA-N	407.804	5.367	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3(c4ccccc4)CCC3)c2)c1	63160397	NYBRMNATVOCQIO-UHFFFAOYSA-N	410.477	5.011	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	64456948	UQZZYKONRICSIS-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
COc1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1OCCCC#N	64614390	AFSJFEHLYXXZPS-VWLOTQADSA-N	404.485	5.396	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1	71803026	BIOWEKGEGNIGOX-QHCPKHFHSA-N	424.953	5.698	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1	109153878	XBTNOHVTSQZYTL-CLOONOSVSA-N	413.521	5.773	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)c(C)c1	195735395	NGFDGGHHQDBWMW-HNNXBMFYSA-N	422.460	5.662	30	20	HKED	
Cc1sc(NC(=O)c2ccc(Br)cc2Br)c(C#N)c1C	219569362	BTLNGSZEWPLSTL-UHFFFAOYSA-N	414.122	5.014	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1	237509391	XHPDMTBPOAWYLD-FQEVSTJZSA-N	408.505	5.120	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H](C)c2ccccc2OC)cc1	303213596	SHMBRBITQHARHO-KRWDZBQOSA-N	416.477	5.500	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	303506495	NFJXFLPJSUHDOF-GOSISDBHSA-N	417.534	5.427	30	20	HKED	
Cc1cccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	303723426	SBOXFDVLXAHAOF-FQEVSTJZSA-N	413.521	5.831	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1	429081978	UTZLVNRBMUUWOY-BEFAXECRSA-N	405.420	5.033	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	429672720	FLQCFEKAVBETMI-UHFFFAOYSA-N	403.448	5.841	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2cccc(Cl)c2)CC1	432098375	NOJMLWSDONZRTN-MRXNPFEDSA-N	413.974	6.003	30	20	HKED	
Cc1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)ccc1-c1ccccc1	433326239	MQNLBCGVPSLUCZ-UHFFFAOYSA-N	407.521	5.124	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2cc3ccccc3[nH]2)cc1	433987426	FMKLOWWFBDXKDO-UHFFFAOYSA-N	424.504	5.177	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl	436292637	BOAFFWUAAJILEM-IMRHEYAYSA-N	401.934	5.017	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCc2cscn2)cc1Cl	437278135	ZGKYZLPXLOFALH-GOSISDBHSA-N	413.955	5.324	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC	437462657	ZKLBNZBSEXVJAN-UHFFFAOYSA-N	418.424	5.315	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)o1	440598326	MFHZAICORZFHHP-UHFFFAOYSA-N	410.433	5.215	30	20	HKED	
C=CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1	441545737	SGSCYIXRINNADS-PKOBYXMFSA-N	424.507	5.114	30	20	HKED	
C[C@@H](CSc1ccc(F)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	445810439	KZWMMZOMOYFSGE-AWEZNQCLSA-N	410.436	5.017	30	20	HKED	
CN1C(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(=O)[C@H]1c1ccccc1	445980510	DTGIUOZRPXFFJH-OAQYLSRUSA-N	417.852	5.144	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(COC)c1	446964767	CHZYRKURQQSPIS-UHFFFAOYSA-N	415.946	5.135	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]1c1ccsc1	460806498	XBSXWUHVLJRKTL-LJQANCHMSA-N	424.570	5.235	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccccc2)cc1Cl	463388637	BZOYNKQIQIOPHZ-HXUWFJFHSA-N	412.880	5.638	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1cc(C(F)(F)F)ccn1	464416187	GZUREIFJKYXKAR-GFCCVEGCSA-N	407.804	5.367	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	467555187	SIRTVRQSQTXQJA-UHFFFAOYSA-N	424.426	5.515	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(CCC(F)(F)F)CC(F)(F)F	468544667	VXYCWMWAFBTFDJ-JTQLQIEISA-N	409.292	5.227	30	20	HKED	
Cc1csc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1	469156606	ZWKHTUWVVNFRBU-UHFFFAOYSA-N	411.914	5.127	30	20	HKED	
C[C@H](CCc1ccc(Cl)s1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469206889	LPJRKCNMGXRTRX-OAHLLOKOSA-N	401.963	5.418	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1	470535800	ASMYHUKNQATWPX-HXUWFJFHSA-N	424.932	5.196	30	20	HKED	
CC(C)(C)OC(=O)CCc1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1	471341798	SQBDPSBFGJBNGO-OAQYLSRUSA-N	407.514	5.127	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1noc(-c2ccccc2)n1	473824129	NUHMITCHXDVPRM-CABCVRRESA-N	407.499	5.014	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)n1	474440521	YHWOCVYJWHHQGK-LBPRGKRZSA-N	409.561	6.095	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc(OC)c1OC	477979450	BMMURLNMLSXFEA-UHFFFAOYSA-N	421.497	5.026	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSCc2ccccc2Cl)n(Cc2ccco2)c1C	478716147	ANQNJEGZYNYFQB-UHFFFAOYSA-N	413.930	5.143	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nnc1-c1cccc(OC)c1	481363452	ZCZBCWSEZZTBQW-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C=C(C)Cn1c(SCc2csc(-c3cccs3)n2)nnc1-c1ccncc1	481364292	PHTGBQUHHXSECB-UHFFFAOYSA-N	411.581	5.394	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482409727	RRQDHJMHYIXDLY-INIZCTEOSA-N	408.317	5.078	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nccc2ccccc12	483201887	QIDVNJYUBZYFHX-QFIPXVFZSA-N	400.441	5.335	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	485318508	MGLMKNKDIZQNQY-UHFFFAOYSA-N	416.459	5.704	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3c(F)cccc3F)CC2)c1	485600421	OVILFTIUXMYOEF-UHFFFAOYSA-N	422.431	5.028	30	20	HKED	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(COc2ccccc2C#N)c1	487056140	HVOVTDFZFLCQKE-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)c1ccccc1	487508234	ZDCSYPUAFGFHKO-INIZCTEOSA-N	409.686	5.407	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cc(OC)c(OC)cc1Br)c1ccccc1	488705966	ZAWXCGDWJCPZJP-HNNXBMFYSA-N	404.304	5.155	30	20	HKED	
Cc1c(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)sc2ccc(C#N)cc12	497705275	FRFSDMFRHHNHBP-IEBWSBKVSA-N	414.889	5.134	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	499338375	UDRQIRARTYEOMM-UHFFFAOYSA-N	416.333	5.673	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)Nc3cc(C#N)ccc3OCC)cs2)cc1	500591523	ZNGDWCSDXWKSKR-UHFFFAOYSA-N	407.495	5.122	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(-c2ccc(F)cc2)n1	501021147	NIYHBTQIDJFPCJ-UHFFFAOYSA-N	403.438	5.261	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1	503889029	FPDXXIGRBGAHLI-UHFFFAOYSA-N	413.521	5.007	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(F)c(F)cc1Br)c1c(Cl)cccc1Cl	505514286	QXFWIBUHDVOPAC-CYBMUJFWSA-N	420.040	5.029	30	20	HKED	
COCC[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccco1	505637374	VQEZGDUYWSEFTJ-SFHVURJKSA-N	410.857	5.105	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccc(NC(=O)Cc2ccccc2F)c1	512662495	XVUPHMASNFFLFV-IRXDYDNUSA-N	419.475	5.429	30	20	HKED	
C[C@@H](NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccc(C#N)cc1	517345411	IRSXOLGZEBWHBC-IVZQSRNASA-N	408.473	5.547	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N	517457213	IJVAJCHDAAWUGA-OAHLLOKOSA-N	407.564	5.546	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1SCCC#N	518120290	LJFRGRWJPAMGEJ-LBPRGKRZSA-N	411.379	6.118	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	518374463	LBSGCWHMVNDHBC-MRXNPFEDSA-N	404.441	5.184	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3scc(C)c3C#N)c3cnn(C(C)C)c3n2)c(C)o1	519562832	SUJCDXMQOXLTAP-UHFFFAOYSA-N	419.510	5.383	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(F)c4)C3)cc2)c1	520197192	ZAGDYJUWLDMXCF-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc([C@@H](CC)c2ccccc2)s1	520740382	MVLNLSUSVAILNL-FQEVSTJZSA-N	419.554	5.396	30	20	HKED	
C=CCOc1cccc(CN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1	520950478	XKIDJPNWWJPZMO-LJQANCHMSA-N	418.512	5.423	30	20	HKED	
CCCC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OC)cc1	521075666	HXSOZAFLOJGRPK-QHCPKHFHSA-N	415.493	5.415	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	522071856	JYDSRDGHCVGQCC-UHFFFAOYSA-N	409.411	5.164	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2)cc1	523797218	RGIBHWWYNGBXHB-HXUWFJFHSA-N	409.470	5.237	30	20	HKED	
COc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	524248812	KOSHIVKGDBXCFF-UHFFFAOYSA-N	407.857	5.443	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(Br)c1	524389446	HGSPYSNUXFQHLE-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)C1(C#N)CCCC1	524965514	HUNBTDGEJGACIM-UHFFFAOYSA-N	404.489	5.754	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1Cl	525042737	MAXUOKUIUPFRCP-QHCPKHFHSA-N	422.937	5.218	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	525432851	NTGAIRHNYBAKMF-LSDHHAIUSA-N	415.864	5.618	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc([C@H]2CCCO2)s1	535531949	DVUAIIHALICTGT-HXUWFJFHSA-N	421.497	5.161	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccn2)ccc1Cl	535854770	HVTYQCNMUDUWPF-REWPJTCUSA-N	401.897	5.314	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccs1	541706442	WEORBQZFZPFJBT-CYBMUJFWSA-N	412.902	5.386	30	20	HKED	
CC(C)CNC(=O)c1cccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542013196	GVNWRJGIIVPHNJ-FQEVSTJZSA-N	411.549	5.462	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(C)C	543862834	RFJVIUOJMLXVNH-SFHVURJKSA-N	408.445	5.341	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1c(C)nn(C(C)C)c1C	550963674	WVRSJKLWGMJABP-UHFFFAOYSA-N	418.516	5.176	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1OCCc2sccc21	561838386	WXWHCRBLRHZZID-OYHNWAKOSA-N	420.559	5.203	30	20	HKED	
O=C(Nc1cccnc1C(F)(F)F)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F	573998896	MFCGFBFWEJAYEC-NSHDSACASA-N	415.696	5.318	30	20	HKED	
C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	575929837	RCFZJBVHWOMAAC-APWZRJJASA-N	412.917	5.160	30	20	HKED	
C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1ccc(COC)o1	581039305	BJSGREDIEVTVQL-RTWAWAEBSA-N	406.530	5.087	30	20	HKED	
Cc1sc(C2(N[C@@H](C)c3ccc(C#N)c(F)c3)CCC2)nc1-c1ccccc1F	583684059	BEYUMGFWSRZKCI-AWEZNQCLSA-N	409.505	5.998	30	20	HKED	
C[C@]1(Cc2ccccc2)CCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	584439868	PYHQHVKTNBJRCU-RUZDIDTESA-N	412.493	5.375	30	20	HKED	
COc1cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)ccc1OCc1cccc(C#N)c1	588204730	BQCFOBCWXAFGHF-NTKDMRAZSA-N	413.521	5.124	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1	589739090	HUKHMZVFBJPKCB-IBGZPJMESA-N	417.509	5.498	30	20	HKED	
C=CCc1cc(C(=O)Nc2cccc3c2CN(CCC(C)C)C3)cc(OC)c1OC	590242130	OVQXDYIVHQVEDY-UHFFFAOYSA-N	408.542	5.046	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	592974162	PDLJUKMFWITRMU-GFCCVEGCSA-N	415.515	5.280	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	603645470	BLRIVHOVJDGSCD-UHFFFAOYSA-N	401.310	5.260	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Cl	603738804	RLZYLOLIJXKAPJ-UHFFFAOYSA-N	421.884	5.287	30	20	HKED	
CN(Cc1cccc2ccccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603829439	YEEMKPKDDPXVTP-UHFFFAOYSA-N	408.461	5.563	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)cc3cccnc23)o1	603860329	AVWKTTPPWXMXAA-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
CCN(C/C=C/CN(CC)[C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1	604271991	IAFZYZMMJXCWFG-OYFUEBRGSA-N	400.570	5.452	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)[nH]c12	605363476	BVGDJZCDUDOISI-QGZVFWFLSA-N	403.388	5.432	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl	609428608	WWSSARBFFVDCTH-NSHDSACASA-N	404.919	6.340	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	609555887	KBBPETVKLSZPKY-GJZGRUSLSA-N	421.488	5.852	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)CCCCOc1cccc(C#N)c1)c1ccccc1	609652232	FGFMFDZAKCYWHY-HXUWFJFHSA-N	414.505	5.886	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(Oc3nccs3)c2)sc2c1CCCCCC2	609906744	LNFRYCZFPUGOBJ-UHFFFAOYSA-N	409.536	5.780	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C	610053839	YRXGHHOPGJLQHO-RBUKOAKNSA-N	424.426	5.122	30	20	HKED	
N#CCn1c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc2ccccc21	610295281	MALXNVJQFFSYRQ-UHFFFAOYSA-N	422.204	5.198	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl	610792614	CIMMVPMXDIJAEL-KBXCAEBGSA-N	403.935	5.243	30	20	HKED	
CC(C)(C)c1ccc([C@@H](NC(=O)N(CCC#N)Cc2ccccn2)C(F)(F)F)cc1	614240568	VDEZPQZCBLKOJT-LJQANCHMSA-N	418.463	5.108	30	20	HKED	
CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-c2ccccc2)cc1	617508399	ZWAYWTDEOBIIQP-UHFFFAOYSA-N	406.489	5.407	30	20	HKED	
C[C@@H](CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	619694689	CRSMVOPBNPXZMI-MUYACECFSA-N	414.365	5.138	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc2cc(C(F)(F)F)ccc2s1	645955561	KJQFMUSUELMVTM-OAHLLOKOSA-N	414.408	5.324	30	20	HKED	
CCSc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1	680451768	LOXVIPBRPKABHR-GFCCVEGCSA-N	407.442	5.312	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl	726472543	BWKORFGVBRBYGD-UHFFFAOYSA-N	418.349	5.157	30	20	HKED	
Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)s1	726570871	MUFNCCUXIJQOSS-UHFFFAOYSA-O	412.947	5.192	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2nc(-c3cccs3)oc2C)c1	728181890	IGSFUWMCAPLXNC-UHFFFAOYSA-N	418.543	5.530	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(O)c(C)c2)cs1	728231706	NQZNKCMBTSDEIK-UXBLZVDNSA-N	412.898	5.391	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C(F)(F)F)cc1	730988634	AFGIOUOQIRWCTI-XDPMZMSMSA-N	404.457	5.999	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCCc2ccccc21)C(=O)Nc1ccc(SC(F)F)cc1	731135605	FSZBGXOXEBQEIU-DNVCBOLYSA-N	414.477	5.159	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](c3ccccc3)c3ccncc3)cc2)nc1	732499114	JNZBUCYMEUOQIX-DEOSSOPVSA-N	407.429	5.087	30	20	HKED	
CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1cccnc1	732961604	GGOQPZMFYGVBQE-PSVMIJIFSA-N	401.897	5.258	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	733034079	VBDQZPFBAXYQIL-AUUYWEPGSA-N	401.482	5.728	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)c1	733808270	ZCRKBWLAADALPM-KRWDZBQOSA-N	406.313	5.016	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1	733852376	XAVGSNMEXMCVHD-QHCPKHFHSA-N	423.532	5.204	30	20	HKED	
Cc1c(F)cccc1-c1ccc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)o1	734303381	MULKLDAUULEJEI-QGOAFFKASA-N	401.393	5.137	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1	736993607	LNWHNPBRXKRMNJ-UHFFFAOYSA-N	422.529	5.025	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cccnc3SC(F)(F)F)c2)s1	739594747	PTSUWTPCOGIPAF-UHFFFAOYSA-N	419.453	5.224	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1C	739829697	IQUDEZVXMQKNRB-HNNXBMFYSA-N	423.520	5.219	30	20	HKED	
Cc1cc(/C=C\C(=O)c2c(Cl)nc3sccn23)cc(C)c1OCc1ccccn1	741844744	QUULORUGASCKEB-SREVYHEPSA-N	423.925	5.536	30	20	HKED	
CSc1cccc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2ccc(F)c(F)c2)c1	742384463	DHLHJXCNLIUXSE-FYSMJZIKSA-N	424.516	5.857	30	20	HKED	
C[C@@H](Nc1ccc(OC2CCCC2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2	743484313	NAMWJMFSGUPEIY-CYBMUJFWSA-N	413.518	5.008	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744035727	VHCCLRYLWSCSSC-KUHUBIRLSA-N	412.917	6.048	30	20	HKED	
Cc1ccc(NC(=O)[C@H](OC(=O)c2sccc2C#N)c2ccccc2)cc1Cl	748105253	CGCHJVVMHJPICC-GOSISDBHSA-N	410.882	5.118	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C	748708310	YZYTUBXNIJAHKR-UHFFFAOYSA-N	415.493	5.331	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNCc1ccc(OCC#N)cc1	758517676	JINMTMXQLLVUIV-UHFFFAOYSA-N	408.933	5.015	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(Cl)c2F)cc1Cl	766800599	PNLWEQZAQXUGJE-INIZCTEOSA-N	400.240	5.435	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ncccc3F)n2)cc1	768316233	AUQCSVSQBJMJLV-SFHVURJKSA-N	414.465	5.252	30	20	HKED	
Clc1cccc(C#CCSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1	772827859	LWOWJOXOHNBSTN-UHFFFAOYSA-N	416.937	5.186	30	20	HKED	
C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1cccc(OCc2ccccn2)c1	775038092	AIBPFCLARPJLBK-QGZVFWFLSA-N	407.901	5.067	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc(CSc2nc3ccccc3s2)n1C	776787713	AJUPSUFRBDTPID-UHFFFAOYSA-N	423.592	5.190	30	20	HKED	
CC(C)N1CC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	776946847	CLYWBLDUGVPJJX-AVIJNYRZSA-N	415.940	5.084	30	20	HKED	
C[C@H](OC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)Nc1ccccc1Cl	778181555	NWKYKBIUKCLNEP-HNNXBMFYSA-N	420.852	5.188	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1	779103537	DFQSQUBWDXIYEP-QPPBQGQZSA-N	422.475	5.848	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c2C2CC2)cc1Cl	780152034	PVCFZVXGQMRPEC-HNNXBMFYSA-N	420.900	5.255	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N(c2ccccc2)c2ccccc2)ccc1OC	782444912	QEKITPWSLWDLRC-JOCHJYFZSA-N	415.493	5.424	30	20	HKED	
C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cccc(C(F)F)c1)c1ccc(Cl)cc1Cl	787052369	YUWWOZVMPPLDHB-MEBBXXQBSA-N	411.235	5.131	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1Cl	801793896	NVNIREXWMMRXAA-UHFFFAOYSA-N	418.202	5.128	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)c1	816061242	NRBNTMCQIKIHLH-IBGZPJMESA-N	418.371	5.095	30	20	HKED	
CC(C)n1ncc2c(C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)cc(C3CC3)nc21	901379650	MWNHDWHLFSMPMP-UHFFFAOYSA-N	419.312	5.228	30	20	HKED	
O=C1Nc2c(ccc(Cl)c2Cl)C1=NNc1nc(Cl)c(Cl)cc1Cl	914691689	GXPFPYFIBDXSGS-UHFFFAOYSA-N	410.475	5.117	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1	915086536	LLKKWIRJSDYSEE-OAQYLSRUSA-N	405.295	5.286	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1C	915351925	DJRBKKVZHQLZNQ-RUZDIDTESA-N	424.548	5.313	30	20	HKED	
N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc2ccccc2n1	916849719	YSVNKZVUAOOLJR-PYHYNLKWSA-N	409.327	5.145	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917043367	LJWOBXVSEYEQRG-MNOVXSKESA-N	424.234	5.382	30	20	HKED	
Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CC(F)(F)F	918555766	ALAHWDYLLHDVBL-MRXNPFEDSA-N	423.416	5.160	30	20	HKED	
CCO[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	920324718	SYDDFOQUQYZNCG-KBXCAEBGSA-N	404.413	5.269	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NN[C@H](C)c1ccccc1	920385862	IWDMCMQNGHQYGI-CYBMUJFWSA-N	406.839	5.538	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(F)cc1	6097074	MAZXDKCYWOQGRE-UHFFFAOYSA-N	418.497	5.154	30	20	HKED	
O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1	10170365	QQIDJAWERLYGBZ-UHFFFAOYSA-O	423.561	5.616	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccccc1	10170739	ZCMZHJNHWROMKE-UHFFFAOYSA-O	403.571	5.711	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1	14802661	NZRQHWCEEJRRTF-UHFFFAOYSA-N	415.880	5.258	30	20	HKED	
C=CCN(C(=O)c1sc(-c2cccs2)nc1C)c1nc2c(s1)CCCC2	17365508	HZTKTMWHKXANMB-UHFFFAOYSA-N	401.582	5.348	30	20	HKED	
Cc1sc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c(C#N)c1C	20836560	DMZGNJSUZRXEKT-UHFFFAOYSA-N	404.520	5.403	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc(OC)c1OC	29357960	CLWINLDZEUIBHR-UHFFFAOYSA-N	420.534	5.372	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	61133143	BDSHOYNUGLGVLA-UHFFFAOYSA-N	423.390	5.936	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1OC	213834998	VNSHQVGBMBVOND-DVFVSVACSA-N	408.523	5.103	30	20	HKED	
COc1ccc([C@@H](NCc2cccc(OCCCC#N)c2)c2ccccc2Cl)cc1	237276223	HKNDHFZRCNRFPR-RUZDIDTESA-N	420.940	5.910	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCCOc3ccccc3F)cc2)c1	303236095	ZLOSQKQBMAVCBC-UHFFFAOYSA-N	404.441	5.074	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1	427525374	QRVYEYVUGCOJLD-QFIPXVFZSA-N	407.439	5.806	30	20	HKED	
Cc1c(NC(=O)c2cccc(SCC#N)c2)cccc1C(=O)Nc1ccccc1	429809330	ZOXHSPDKDQRSHU-UHFFFAOYSA-N	401.491	5.115	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1c(F)cc(F)c(F)c1F	430959397	YXWWVGGLDPEAHX-VIFPVBQESA-N	408.317	5.164	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1	432006360	JOAVVFDJLRDQEF-SFHVURJKSA-N	402.267	5.137	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NCC1(CC#N)CC1	432166073	JOTCDCAOZUQMSW-UHFFFAOYSA-N	419.504	5.547	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	438159509	SRRDRDLCPIWCPH-JTHBVZDNSA-N	413.525	5.435	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C	438224263	PAXGYSZDOITPEK-KNQAVFIVSA-N	404.514	5.037	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H](C)c1cccc(O)c1	438655994	OBFZLGVKCCHBLO-INIZCTEOSA-N	419.456	5.810	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1	439367174	CWMPVRIYSNGSHF-AUSIDOKSSA-N	418.541	5.176	30	20	HKED	
CC(C)C(=O)Nc1ccc(CNc2c(C#N)cnc3c(Br)cccc23)cc1	440660415	AAGPRYJUMNAMIK-UHFFFAOYSA-N	423.314	5.076	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(N(C)C(C)=O)c1)c1ccc(C(F)(F)F)cc1	442219900	OTHRLCGFHAHYBZ-FQEVSTJZSA-N	419.447	5.517	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1	442876216	UWIAIMFQQQMXKT-FQEVSTJZSA-N	423.497	5.994	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(N2CCCC2)c1	447059643	MDFHHCATZJBYJY-MSOLQXFVSA-N	408.571	5.564	30	20	HKED	
COc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1C(F)(F)F	448081684	CDQZCTQQHSNMQQ-SJLPKXTDSA-N	403.404	5.018	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Br)c1	462059781	OFEJQWBVJRLLQI-KGLIPLIRSA-N	403.345	5.586	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	464678598	RPJKHHKMLYBYSK-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#C[C@@H]1N(C(=O)c2csc(-c3cccc4ccccc34)n2)CCC[C@@]12CCCCO2	468660494	MIDOEZDDUVGMJX-URXFXBBRSA-N	417.534	5.031	30	20	HKED	
CCc1c([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc2ccccc12	469359582	UOFKMJYOHFUFGV-KRWDZBQOSA-N	401.510	5.751	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3cccc(Cl)c3SCC(F)F)o2)c1	471677419	ORRMBXDTJKOVTR-UHFFFAOYSA-N	406.845	5.231	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1)c1ccc(F)c(F)c1	472189463	MIGSKVHMDJTIKP-GOTSBHOMSA-N	407.464	5.374	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	476370062	NSTQGRUQYGMQRX-CQSZACIVSA-N	422.381	5.458	30	20	HKED	
C=C(C)[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)c(F)c1	476843806	JYUCGLPLUSWBFH-COPCDDAFSA-N	400.469	5.049	30	20	HKED	
CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C[C@@H](CC#N)c1ccccc1	477094039	ANIFBKGKNCLGFK-IEBWSBKVSA-N	411.343	5.200	30	20	HKED	
N#Cc1cc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)ccc1F	477641385	GMVWXZZBLXLROS-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
CC1(c2cccc(Cl)c2)CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	478439944	ZSGPOJPJJWYHFA-UHFFFAOYSA-N	405.885	5.061	30	20	HKED	
C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	481319453	FCEGOZUCGMQRKS-XMSQKQJNSA-N	408.567	5.176	30	20	HKED	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1	481381358	WVGZROKBXNJHMH-GOSISDBHSA-N	422.492	5.031	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1cc(F)ccc1OCC(F)(F)F	482574987	SNLDJZBNDFRNCB-ZDUSSCGKSA-N	409.301	5.442	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1	483032235	YSVQVIRKBLXMQZ-UHFFFAOYSA-N	417.462	5.014	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1	486218643	RBVVGSDSBZHRKR-UHFFFAOYSA-N	421.591	5.503	30	20	HKED	
CCCN(C(=O)c1ccccc1NCc1cc(C#N)ccc1Br)C(C)C	492696910	PMYZBSNXUCHIPT-UHFFFAOYSA-N	414.347	5.193	30	20	HKED	
COc1ccccc1[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccco1	494051609	VPMVUGOVSIUXSL-ZHRRBRCNSA-N	421.522	5.451	30	20	HKED	
CCCC[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cc(C)on1	495526304	CCCWOROZXVSALV-QFIPXVFZSA-N	418.497	5.043	30	20	HKED	
CC(C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1	498555823	SOLLJSHJULTDHW-CYBMUJFWSA-N	412.465	5.233	30	20	HKED	
O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(F)cc1OCCC(F)(F)F	500198258	PHWYVKWSDWMAOB-UHFFFAOYSA-N	409.301	5.357	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2nc3ccccc3s2)cc1	500978816	QOHCVICQFCKETO-UHFFFAOYSA-N	401.466	5.150	30	20	HKED	
COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c(OC)c1	504284212	MLBKXGHANYVUSG-UHFFFAOYSA-N	418.518	5.429	30	20	HKED	
Cc1nc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)sc1SCC#N	504747321	ZDTIWERGPZUXHW-HNNXBMFYSA-N	409.536	5.140	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1	505011489	WIBPUWSHERKZNS-FQEVSTJZSA-N	415.331	5.173	30	20	HKED	
CN(C)c1nc2sc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2s1	505430039	WXCQIQPFBBAUNF-SECBINFHSA-N	418.956	5.177	30	20	HKED	
N#Cc1c(F)cccc1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1	506823003	KBCFGCVFKXMNET-UHFFFAOYSA-N	410.861	5.402	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCSc2ccccc2)cc1	508248797	JTWGHQZEXQHHBB-UHFFFAOYSA-N	419.506	5.273	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1Cl	510022470	DTWDJEBDOIPOFV-CTNGQTDRSA-N	421.953	6.426	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c(Cl)c1	513687103	LVHCRYSCCRBFIB-OAHLLOKOSA-N	404.297	5.188	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccccc1	514562939	LKSGUAJJUDRKOR-HNNXBMFYSA-N	421.501	5.482	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	517457373	PIAGVJUSKBRTRZ-ZDUSSCGKSA-N	423.519	5.043	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)c4cccnc34)cc2)nc1	517651487	KZYRQRIJJIGSRQ-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1C(=O)NC(C)C	518185478	VSHGNBKJCOYWCX-UHFFFAOYSA-N	413.477	5.050	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCOc1ccccc1-c1ccccc1	521355079	QJPUDAGWOAABTQ-UHFFFAOYSA-N	413.521	5.226	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C#N)c(C#N)c2)c(C)c1	525663054	BFERLYLPLHKZQA-UHFFFAOYSA-N	417.472	5.152	30	20	HKED	
CCN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(C#N)cc1	527075734	CQNZVWOPDVKFIL-UHFFFAOYSA-N	400.356	5.384	30	20	HKED	
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	531314698	KTFLOBYAESUXDM-UZKOGDIHSA-N	407.583	6.128	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)ccc1OC	531610166	MSFWMPNRVWSQCD-DEOSSOPVSA-N	408.929	5.578	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)cc1Cl	533856606	WZXRDKRNYUIGSZ-GOSISDBHSA-N	419.834	5.722	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1F	534768714	BYESAHNSNLRTLG-UHFFFAOYSA-N	408.404	5.066	30	20	HKED	
CCC(CC)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C	535299128	NBCZRVFDSKIKTR-UHFFFAOYSA-N	416.525	5.564	30	20	HKED	
COc1cccc([C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2cc(F)ccc2OC)c1	537407357	OQUJOEDBUKZRPG-OWJWWREXSA-N	408.448	5.294	30	20	HKED	
C[C@H](NCc1nc2cc(Cl)ccc2n1C)c1ccc(-c2cccc(C#N)c2)cc1	541083936	BBJFTYUJJFTEGG-INIZCTEOSA-N	400.913	5.616	30	20	HKED	
COc1ccc(-c2nc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)no2)cc1	541086358	LPMUNEBZTBSSFY-KRWDZBQOSA-N	410.477	5.135	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1	541424074	YLTUQAVCNTZETK-HKUYNNGSSA-N	422.598	5.526	30	20	HKED	
CC(=O)N(c1nc(CSc2cccc(Cl)c2C#N)cs1)c1ccccc1F	543959101	FYRBPNOMOCHSKB-UHFFFAOYSA-N	417.918	5.784	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21	554445704	VRHRYOBKENXXAK-JWUVWSEFSA-N	405.567	5.881	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1	560561395	ILSSZUSOQIEDHX-JOCHJYFZSA-N	422.529	5.492	30	20	HKED	
COc1ccc2cc(CNC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)ccc2c1	562098541	ZUVHGJVYXGZGDN-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
C[C@H](CNc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1	567965173	URYMLWBQAQOJMJ-MRXNPFEDSA-N	415.459	5.504	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1	589739995	HMEIYHIXDKLVSD-UHFFFAOYSA-N	414.933	5.165	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)CC1	592302017	QTDDKNLFCKUEIC-HSZRJFAPSA-N	411.615	5.301	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)s1	604028817	SBKQTZLDQIKRKQ-UHFFFAOYSA-N	405.483	5.020	30	20	HKED	
O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1c(Cl)cccc1C(F)(F)F	606826173	YKUUQIPXNKQQSS-UHFFFAOYSA-N	421.721	5.318	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)c1occc1COc1cccc(C#N)c1	608811122	MVTDOGGAMDSOAF-UHFFFAOYSA-N	414.383	5.021	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F	608945635	SVCCIPIUONFCJS-YWZLYKJASA-N	402.416	5.098	30	20	HKED	
CCc1c(C)sc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1C#N	609032868	KEZWFGSXVBYMHD-UHFFFAOYSA-N	401.944	5.828	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3[nH]c4ccccc4c3Cl)cc2)c1	609073449	HZTZFCOYBUNUSB-UHFFFAOYSA-N	401.853	5.524	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1C(F)(F)F	609501241	BMJSMDFAWFQKOI-AWEZNQCLSA-N	411.383	5.255	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@@H](CC)c1ccccc1	609637151	APPCEKKTFOVRFG-QFIPXVFZSA-N	421.541	5.064	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc21	609643658	XTUOMZSVUUDSOJ-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	610018897	DAEXAVSXQNJRFJ-IBGZPJMESA-N	413.477	5.381	30	20	HKED	
C[C@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1cccc(C#N)c1	610359110	DLXSXKJZLDGPDZ-INIZCTEOSA-N	412.518	5.218	30	20	HKED	
C[C@H](NCc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1cccc(C#N)c1	611386205	CWQHCOKDSMVBRY-KRWDZBQOSA-N	400.913	5.460	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1	616128554	OOZDIBYYYZXAEY-UHFFFAOYSA-N	417.509	5.170	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)nc(SC)c1C#N	619142946	LQHTWOAYAQCQPZ-UHFFFAOYSA-N	403.960	5.096	30	20	HKED	
CSc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1F	678028171	NADHMJYRCODNEW-NSHDSACASA-N	410.417	5.666	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	679131461	KLQKBXCCINCKPT-UHFFFAOYSA-N	412.280	5.422	30	20	HKED	
CC(C)(C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F	681225711	JPBFTNMFOBDWEZ-NXEZZACHSA-N	419.768	5.346	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1OC	684070888	HWCMTHAYZIYFRG-UHFFFAOYSA-N	416.502	5.789	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1-c1ccc(Br)cc1	726322826	ONGALIMIMWJWLR-HNNXBMFYSA-N	420.266	5.086	30	20	HKED	
Cc1cc(Br)c2c(c1)C(=O)/C(=C/c1cccc(OCCCC#N)c1)CO2	726743548	LQEDRCQXMDUREM-LFIBNONCSA-N	412.283	5.099	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncc[nH]2)c1	729240395	LJUJWWDONUNGCR-XSFVSMFZSA-N	415.405	5.010	30	20	HKED	
CC(=NOCC(=O)Nc1c(C)cccc1C)c1ccc(OCc2ccc(F)cc2)cc1	729675713	OJFGNSBWCLQITQ-UHFFFAOYSA-N	420.484	5.401	30	20	HKED	
CCCOc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	733080155	QTXWRXGOAWPDBC-UHFFFAOYSA-N	415.419	5.182	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)cc1	733084197	XQHBDILLRQTEMM-CMDGGOBGSA-N	404.369	5.633	30	20	HKED	
C#CC[C@@H](OC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccn1	733692373	DPQNBGMRIOKIJM-ZPUOCTKUSA-N	413.317	5.440	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1Cc1ccccc1	734081318	ITMAAQVOOJSGLH-NRFANRHFSA-N	412.518	5.162	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)[nH]c1C	734426879	ZPBPWZHBYKTPBI-UHFFFAOYSA-N	422.488	5.397	30	20	HKED	
CCCOc1c(Cl)cc(C=NO[C@H](C)c2nc(C(C)(C)C)no2)cc1OCC	742352689	WXTNFWKYRCQIGN-CYBMUJFWSA-N	409.914	5.320	30	20	HKED	
CC(C)(CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	743446969	IHOCWUBBPIKTSC-OAHLLOKOSA-N	402.441	5.859	30	20	HKED	
Cc1cc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)c(C)n1-c1ccc(C#N)cc1	743467011	ZXBVSXCSAOJXNW-UHFFFAOYSA-N	414.490	5.047	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1	744845037	GTGNRKAXHSLLLH-MRXNPFEDSA-N	407.514	5.164	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCC(C)CC1)c1ccncc1	745827289	IZIYOUBWVDVHBK-UDJZJCJKSA-N	421.541	5.218	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CCOc3ccccc3)n2)cc1	745949492	NYODZEHHVYAEGZ-UZLBHIALSA-N	406.507	5.100	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	749427277	XLOATFOCUIJZPM-QFIPXVFZSA-N	411.505	5.204	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1OC	749537746	FUGHRWMZDCYCOJ-HNNXBMFYSA-N	418.921	5.248	30	20	HKED	
Cc1nn(C)c2ncc(/C=C(/C(=O)c3nc4ccccc4s3)c3ccccc3)cc12	750901981	HECPYOOBRBAANH-CPNJWEJPSA-N	410.502	5.310	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nc2ccccc2[nH]1	751823841	UWERAQBKKNGJST-HNNXBMFYSA-N	406.898	5.123	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccn3)s2)CCOc2c(Br)cccc21	753145178	WPHKTOVXLPAIPZ-BENRWUELSA-N	413.296	5.016	30	20	HKED	
CC(C)C(=O)N1CCC(=NO[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)CC1	753821804	NVGYZWJXOHFXIS-ZDUSSCGKSA-N	424.328	5.360	30	20	HKED	
C#CC[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1	757607034	QIDYKQKYTZEGIL-HXUWFJFHSA-N	413.502	5.010	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)s1	763727069	YUWSNMVDLJQMCL-QFIPXVFZSA-N	416.550	5.519	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2sccc2SC(F)F)cc1	773357961	FZXGVRIBVLGTPO-UHFFFAOYSA-N	400.475	5.531	30	20	HKED	
N#C[C@@H](C(=O)C1CCC(C(F)(F)F)CC1)c1nc(-c2c(F)cccc2F)cs1	774069935	RLGAOQSCZMUECB-MCIGGMRASA-N	414.399	5.633	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1	775540497	WEUZHYVMOAULSP-LEWJYISDSA-N	412.537	5.043	30	20	HKED	
CC(C)N1CC[C@H](NCc2ccc(O[C@H](C)C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	776946859	CLYWBLDUGVPJJX-XARZLDAJSA-N	415.940	5.084	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1	777323849	MWNHHLRETWWXLM-IRXDYDNUSA-N	413.543	5.099	30	20	HKED	
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1N[C@H](C)c1ccc(OCC#N)cc1	777630911	UCAOFXJSSQLIQM-QWFCFKBJSA-N	405.542	5.189	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1	780160294	AOCRZGLYMONXIJ-OAHLLOKOSA-N	410.395	5.916	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3O[C@@H](C)C#N)cs2)cc1	780168630	APAHMYCQUFXIDS-INIZCTEOSA-N	405.523	5.406	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2)cc1	780669490	LAVIHAAVZMKJDA-KOSHJBKYSA-N	415.493	5.287	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	781446981	HRHDJXCXCIAESL-IUODEOHRSA-N	414.914	5.022	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1	781464237	UNFLMYQTWSSMMO-AWEZNQCLSA-N	416.308	5.605	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2C)nc1C)c1ccccc1	787033703	WPZAYNXRJXRNIB-VQTJNVASSA-N	417.534	5.017	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)NCc2ccc(C#N)c(Cl)c2)n1	801070893	SNQAPOMNJMUZGE-UHFFFAOYSA-N	413.955	5.199	30	20	HKED	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	802041229	QWVAEXFGMFEFCZ-GVDBMIGSSA-N	401.293	5.007	30	20	HKED	
CC[C@@](C)(C#N)C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	803783182	UUZQQBJMEJUUBX-CMJOXMDJSA-N	421.522	5.082	30	20	HKED	
N#Cc1sc(Sc2nnc(Cc3cccs3)n2-c2ccccc2)nc1Cl	804337921	PCSAXTPPPRWQNV-UHFFFAOYSA-N	415.956	5.052	30	20	HKED	
COC(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	810349426	QMEPZSCOUHUXKC-UHFFFAOYSA-N	406.825	5.043	30	20	HKED	
Cc1ccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2c1	810530272	ZOWULBGGBCQGJU-OAHLLOKOSA-N	416.474	5.486	30	20	HKED	
COc1cc2c(cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)oc1ccccc12	814817556	QIZRHLLSTGXLDI-UHFFFAOYSA-N	411.339	5.132	30	20	HKED	
N#CCCCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1	914615584	LTNDURKCHZQDKX-UHFFFAOYSA-N	410.520	5.580	30	20	HKED	
COc1cc(Br)c(/C=C/C(=O)c2cc3cccc(OC)c3o2)cc1OC	916130427	UVLZRYUYZXDGTJ-BQYQJAHWSA-N	417.255	5.117	30	20	HKED	
Cc1sc2ncn(N=Cc3ccccc3C(F)(F)F)c(=O)c2c1-c1ccccc1	916283874	XYUWHRFCUQCAJE-UHFFFAOYSA-N	413.424	5.334	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2csc3ccccc23)cc1	916648861	DEEYAIMUNRGNPE-HSZRJFAPSA-N	411.530	5.921	30	20	HKED	
N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	916908771	IHCGDXLEHDBJLC-HNNXBMFYSA-N	407.322	5.213	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(s1)CCCCCC2	916928209	WHNTYDPQEYXEJF-AWEZNQCLSA-N	421.349	5.675	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3cccs3)nc2C)cc1	916954104	FTZMQAXYELWSFP-SUMWQHHRSA-N	423.563	5.655	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1	1792265203	BPHQVYFIAPJQQL-UHFFFAOYSA-N	415.320	5.155	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1	32057581	LPBZWNAXXGVXKD-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)NC(=O)CCS4)n2)cc1	41513538	NJYGRUQOZQSSAM-INIZCTEOSA-N	419.531	5.043	30	20	HKED	
C=CCn1c(SCc2cccc(OC(F)F)c2)nnc1-c1ccccc1OC	50247020	HHDZRSYKIIUMJK-UHFFFAOYSA-N	403.454	5.033	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3Cl)c2)c1	55771782	RDJCGGDOCRACLY-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC4C[C@H]5CC3C[C@@H](C4)C5)c2)cc1	62399452	YHFPBRRAZKBWMI-FPCVHMJOSA-N	415.537	5.374	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(OC(F)F)cc2)cc1	108370015	CGSLYPIRYLNSBR-UHFFFAOYSA-N	422.431	5.114	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	302221813	LQNXEPQAMMTCHD-UHFFFAOYSA-N	421.500	5.861	30	20	HKED	
C=CCn1c(SCc2nccn2C(F)F)nnc1-c1ccc(C(C)(C)C)cc1	302906561	BOAQDZGZJOCALY-UHFFFAOYSA-N	403.502	5.313	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	303291712	BFMXGJSVNFCYOI-VHDGCEQUSA-N	405.350	6.130	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1	303615321	CIIPZNHNYOAUIS-LEWJYISDSA-N	420.434	5.308	30	20	HKED	
Cc1cccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	303723430	SBOXFDVLXAHAOF-HXUWFJFHSA-N	413.521	5.831	30	20	HKED	
CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](C)Cc1ccsc1	426187557	BWXCRKJFRYZDJH-OAHLLOKOSA-N	410.568	5.152	30	20	HKED	
Cc1c(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)sc2ccc(C#N)cc12	426401286	GHANUOXQMNRFLW-UHFFFAOYSA-N	421.432	5.467	30	20	HKED	
CC(C)(NCCC(C#N)(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)on1	429241733	NUGLJXQESOFORX-UHFFFAOYSA-N	413.443	5.418	30	20	HKED	
FC(F)(F)C[C@H](NCc1ncccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1	429291902	VNGAZKCEBOUKHV-ZDUSSCGKSA-N	416.287	5.903	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1nc(-c2ccccc2)cs1	431939293	RAYMMEOGEIJNMT-YLJYHZDGSA-N	404.539	5.605	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	432600653	JQXXRYBIPWVMLA-NRFANRHFSA-N	415.497	5.326	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(COCc2ccccc2)cc1	438368303	ASZNFBZLFIYHNP-UHFFFAOYSA-N	413.521	5.718	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1F	438664497	ISVGARDLWUCNBK-IBGZPJMESA-N	407.470	5.920	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H]1CCc2ccccc21	438666834	SGBRXMUNQGAHKK-OAQYLSRUSA-N	401.441	5.641	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)c(F)c3)n2)cc1	439643057	JCUVNCIONINGQS-AWEZNQCLSA-N	420.387	5.467	30	20	HKED	
O=[S@@](Cc1cccc(NCC#Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	442104733	BWGNAWDYFTUJKQ-LJAQVGFWSA-N	413.464	5.477	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2cc(OC)c(OC)cc2Br)CCCC1(C)C	445242876	LNDAXUBIPREKOM-KRWDZBQOSA-N	411.340	5.065	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cc2)cc1	462262967	MXKXUPQEHBORTO-URXFXBBRSA-N	413.477	5.392	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1cc(C(F)(F)F)ccn1	464416486	CJDNKTPBVIAAPA-CQSZACIVSA-N	419.309	5.056	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1	464852035	AOSIMPCYXCZQNG-UHFFFAOYSA-N	410.473	5.294	30	20	HKED	
C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	466598677	DXYFPCQJBXZXJW-LAUBAEHRSA-N	406.526	5.036	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(F)c(Cl)c1	468630734	PCYGMZWGVFGUPP-ZDUSSCGKSA-N	408.951	5.603	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3OCC(F)F)c2)cc1	474985575	BONHZBKIZZBVQC-UHFFFAOYSA-N	408.404	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	475550591	OYHQQZGXXRNTDB-OAQYLSRUSA-N	405.586	5.667	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2ccc(OCC)cc2)CC1	475550923	UIWSYTBQEANQFS-UHFFFAOYSA-N	421.585	5.287	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNC(=O)Nc2cc(C#N)ccc2C)on1	477592185	XJONBTPBFCHWGK-UHFFFAOYSA-N	412.449	5.005	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2nc(C(C)C)cs2)cc1	478645270	KACNNYULOVHIIO-UHFFFAOYSA-N	422.510	5.261	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cc(Cl)ccc1C#N	479569734	MRSJDCQSGXWBPC-UHFFFAOYSA-N	403.894	5.511	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2)cs1	483214605	YRMPZPZFNGBDAQ-OAQYLSRUSA-N	415.543	5.782	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CCC(=O)Nc2sccc2C#N)C1	483665754	WRUQDRBNNMVTLA-DYVFJYSZSA-N	407.461	5.050	30	20	HKED	
C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1cccc(OC)c1	488873426	IFYLWMGSLWWOGA-UHFFFAOYSA-N	423.538	5.033	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1cccc(OC)c1	488911205	DZEYQKFKKDJLEK-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	490253971	WYTGYWDECOOGJQ-UHFFFAOYSA-N	406.429	5.293	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	491836228	YXNXGNBHXBDLQP-KRWDZBQOSA-N	403.457	5.353	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccccc2NC(=O)c2cccs2)c1	492767588	IACVXXYRMWXBPD-UHFFFAOYSA-N	412.312	5.247	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	499430870	LCRQVMMVDHZINI-CPUCHLNUSA-N	424.125	5.240	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CCC2	504653748	FWNOLIMRLVHINC-ICFOKQHNSA-N	401.897	5.361	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1	505016927	NYZQCTAPRJJCNI-JOCHJYFZSA-N	423.944	5.438	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2cccc(C)c2)C1	508875661	VGYRGLUFCXBPOP-HJOGWXRNSA-N	414.553	5.012	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)nc3C)n2)cc1	509535326	GPLSESMETBPBCF-HNNXBMFYSA-N	401.413	5.331	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2scnc2-c2ccccc2)c1	513225711	CLTAIYHYFADYIF-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(Cl)c2ccccc21	515546875	HRWJQRHHZCYUIY-LBPRGKRZSA-N	400.290	5.585	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)n2)cc1	517544140	IPODIVAYAXFOPG-KRWDZBQOSA-N	422.554	5.384	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1NC(=O)c1ccco1	519422785	LBGGMWOVAZSALG-HNNXBMFYSA-N	419.506	5.344	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCc3ccc4ccccc4n3)cc2)cc1	519508666	XNHYOGSQUTUVHR-UHFFFAOYSA-N	408.461	5.263	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	521077938	BRHIKVUFHFDMKY-UHFFFAOYSA-N	400.463	5.004	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(c4ccccc4)CC3)cc2)cc1	521366975	WRFSOHWEHFQLLR-UHFFFAOYSA-N	412.493	5.141	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nccs1	523455160	CVRAFSWMTFPLMP-GOSISDBHSA-N	410.474	5.006	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3F)cc2)cc1	523824861	NZFURYCCVOBAOT-SIKLNZKXSA-N	404.416	5.109	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Nc1ccccc1S[C@H](C)CC#N	525413726	LEOKRMMQMNPKBJ-MOPGFXCFSA-N	407.583	6.476	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)oc12	527099430	JVQSUESISXGJCC-ZDUSSCGKSA-N	403.301	5.574	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	532450367	ODQKHDVOZBVNRG-WADIDORASA-N	405.473	5.301	30	20	HKED	
Cc1nc(NC(=O)c2ccc(CC#N)cc2)sc1-c1nc2ccccc2n1C(F)F	534804523	RIFBWNVFJSKLAQ-UHFFFAOYSA-N	423.448	5.182	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc([C@@H]2CCCO2)s1	534813927	BSDNWNLLJWLRPF-IBGZPJMESA-N	405.479	5.219	30	20	HKED	
C=C[C@H](CC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	536242279	CBEKPHKXCWMTQQ-KPURRNSFSA-N	403.547	5.434	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(Br)c4ccccc34)o2)cc1	536881048	IKNFWXHUASBGAL-UHFFFAOYSA-N	405.255	5.136	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1	538436831	VPCXJYNJJMYSQL-NVXWUHKLSA-N	414.962	5.135	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1	539006803	YZDLENYEAAEZLD-UHFFFAOYSA-N	408.501	5.553	30	20	HKED	
N#CC1(CCCSc2nnc(-c3cccs3)n2Cc2ccccc2)CCOCC1	539511369	AUJDAQCGYDLQDR-UHFFFAOYSA-N	424.595	5.248	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1	539636689	HLQGJPGKBLINKJ-UHFFFAOYSA-N	409.464	5.408	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N	539754745	JHUQVVPELHINMV-OLZOCXBDSA-N	424.492	5.199	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)n1	541189321	XKVVVYVVNUANLK-INIZCTEOSA-N	410.445	5.266	30	20	HKED	
COc1cccc([C@H](CNc2nccc(C)c2C#N)c2c[nH]c3ccccc23)c1OC	542211278	OFAGHEOUHTXFPZ-NRFANRHFSA-N	412.493	5.004	30	20	HKED	
Cc1cc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)on1	543053331	XHZZBWBVKIUSJP-LBPRGKRZSA-N	406.248	5.414	30	20	HKED	
N#CCc1ccc(CN2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1	544070368	UWGIKXBGAIWPCL-HXUWFJFHSA-N	402.325	5.053	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)cc1	544247955	YWVKBNMOZSOWQF-UHFFFAOYSA-N	408.461	5.419	30	20	HKED	
Cc1ccc(SCc2nnc(N3CCC(C)(C#N)CC3)n2Cc2cccs2)cc1	549956921	BMIMPJLIRKUFAI-UHFFFAOYSA-N	423.611	5.119	30	20	HKED	
C=CCC(C)(C)c1noc(/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)n1	551142235	DUSYBAJCQQWGLE-LUAWRHEFSA-N	409.486	5.286	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c(C(F)(F)F)c1	553847568	VCTHJAOLPPWJLH-CQSZACIVSA-N	418.484	6.403	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1	566888437	KGEXYAQWUNKGBY-YADHBBJMSA-N	422.912	5.178	30	20	HKED	
CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	574848286	YJUBBAOCFFIGAL-GOSISDBHSA-N	400.482	5.578	30	20	HKED	
COc1c(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)cnc2ccccc12	576019988	QZBFCVJCMPRZDQ-UHFFFAOYSA-N	409.449	5.219	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2=CCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	576437182	LIAQYNJAALJMJR-SFHVURJKSA-N	415.518	5.333	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)cc1	582558269	YXMSMSGIKBSREV-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)c(Br)c1	590067525	OPKBTKYFMUDVCT-KUHUBIRLSA-N	418.310	5.384	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603828902	CAKVKZWICZLQQX-AWEZNQCLSA-N	408.408	5.249	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	604128378	XJOSCOHGHKLSND-UHFFFAOYSA-N	424.331	5.796	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)SCc1cccc2ccccc12	604502203	HUFPRCQRDNFITL-GOSISDBHSA-N	404.535	5.417	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F	608945611	RVYAVZYBYYMCDO-KXBFYZLASA-N	402.416	5.098	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)on1	609079162	NLBMXBNYPDSFEN-QFIPXVFZSA-N	416.481	5.111	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)c2)cc1	609208647	CPUHCTKDNKBJDK-HSZRJFAPSA-N	401.441	5.859	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cnn(C(C)C)c1	609572961	DRFVAERCOKMPRZ-GOSISDBHSA-N	417.513	5.106	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1	609572972	HKIKWAHCJUVYBY-UHFFFAOYSA-N	413.477	5.178	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCSC[C@H]3c3ccccc3)c2)cc1	609683049	WVKXBYLYOYRSFK-QHCPKHFHSA-N	415.518	5.673	30	20	HKED	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	609822560	IJBZPHUFNBLSKE-OFNKIYASSA-N	422.594	5.422	30	20	HKED	
COc1cccc(NC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	609929699	JSEWZLROWBECAU-KRWDZBQOSA-N	424.570	5.198	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ncc(-c2ccccc2)o1	610068768	UHZSBMFEIPBJDM-QGZVFWFLSA-N	409.445	5.497	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	610197424	KYNFGESYSSEWOW-JOCHJYFZSA-N	419.569	5.282	30	20	HKED	
N#Cc1cc(Oc2ccc3ccc(C(F)(F)F)nc3c2)nc2ccc([N+](=O)[O-])cc12	615490604	LRWGJQHGTBIIML-UHFFFAOYSA-N	410.311	5.374	30	20	HKED	
O=C(CCCOc1ccccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	617008615	USXMFWBYHZDAGS-ITGUQSILSA-N	415.349	5.010	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21	618810643	AXWOHSFXWKEHEE-VLIAUNLRSA-N	420.513	5.177	30	20	HKED	
O=C(Cc1ccc(C(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642158317	QNTIHWONWNWULF-RYUDHWBXSA-N	421.303	5.274	30	20	HKED	
Fc1cc(C(F)(F)F)c(F)cc1CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	672544615	DCJJUXUDXJGLOL-RKDXNWHRSA-N	401.219	5.156	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c(C)[nH]c3ccccc23)c1	725840984	QGIPFAKRRSIYTR-UHFFFAOYSA-N	419.554	5.250	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)cc1C	726801744	MFLYIQQPMNSEBT-ZHZULCJRSA-N	408.548	5.392	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1Cl	727629283	QIIHFAPPYBJLQF-WQTVUKCASA-N	423.925	5.209	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)c2)[nH]c1C	728269657	TYSISYXXOUVONR-UHFFFAOYSA-N	409.493	5.225	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1csc(C(=O)O)c1	730148421	GBSCLINDURFSTR-RUDMXATFSA-N	411.866	5.248	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1	731340402	NGNIUUAKXWNXLC-INIZCTEOSA-N	416.568	5.203	30	20	HKED	
N#C[C@@H](C(=O)CCCCCc1cccs1)c1nc(-c2c(F)cccc2F)cs1	731546025	CKBSBOXKPMWNMK-HNNXBMFYSA-N	416.518	6.129	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	732499175	LTIDNSWIJLLFDU-KBXCAEBGSA-N	414.502	5.835	30	20	HKED	
COc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	734306557	GJQLTIMXYRJREY-VCHYOVAHSA-N	419.408	5.144	30	20	HKED	
Cc1cccc(COc2c(C)cc(CNCc3ccc(OCC#N)cc3)cc2C)c1	734509814	MDMBIOXHQSFIBE-UHFFFAOYSA-N	400.522	5.383	30	20	HKED	
N#CC(CCOC(=O)C[C@@H]1OCCc2ccccc21)(c1ccccc1)c1ccccc1	734605340	DLOVESFCSNCWCG-VWLOTQADSA-N	411.501	5.134	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	735746427	ZCXVKFNBVAEVDF-SJKOYZFVSA-N	424.353	5.243	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)Sc3cc(Cl)ccc3Cl)[nH]c12	735789811	QYVYKOWKNOSCON-WCQYABFASA-N	404.322	5.535	30	20	HKED	
COc1cccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	745723944	GKDXIYQIVXZEIZ-UHFFFAOYSA-N	405.498	5.418	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c[nH]c2c1	745949786	XNMPZPBMFVYNPU-HXUWFJFHSA-N	410.502	5.281	30	20	HKED	
N#Cc1ccsc1C(=O)OCc1nc2cc(Cl)ccc2n1Cc1ccccc1	748103985	SINYNOOGGDGCAQ-UHFFFAOYSA-N	407.882	5.028	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1	748698308	GKHOILNYNXRECU-DEOSSOPVSA-N	405.457	5.153	30	20	HKED	
Cn1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1-c1ccc(F)cc1	749174963	SHHFSEZMKJPOBU-STQMWFEESA-N	422.344	5.034	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Cl)s1	750695561	ZKPVEOYRWVNMPW-UWVGGRQHSA-N	408.882	5.783	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)OC[C@H](C#N)Cc2ccccc2)cs1	750781170	QYEMBCDYDRQINQ-SFHVURJKSA-N	408.548	5.283	30	20	HKED	
O=C(Nc1cccc(/C=C/C(=O)c2cc(F)ccc2[N+](=O)[O-])c1)c1ccccc1Cl	752875739	UODXQMKQNLRKFM-DHZHZOJOSA-N	424.815	5.536	30	20	HKED	
Cc1sc2nc(/C(Cl)=C\c3ccc(F)c(C#N)c3)nc(O)c2c1-c1ccccc1	756263834	WOZBPLAHAFMDIK-MHWRWJLKSA-N	421.884	6.120	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(Cl)ccc1Sc1ccccc1	759190623	BZBHTFKXQPAWFI-OAHLLOKOSA-N	408.910	6.034	30	20	HKED	
C#CCCN1CCC(NC(=O)c2cc(C)ccc2Sc2ccc(Cl)cc2)CC1	759873274	UDFAVTGZTIIOQW-UHFFFAOYSA-N	412.986	5.017	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccccc1NCc1ccc(Cl)cc1	765823920	SRKFNDMVSMYVEG-UHFFFAOYSA-N	407.926	5.820	30	20	HKED	
C=CC[C@H](N[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1	766019242	LCFRQRVZWURSFW-ACJLOTCBSA-N	411.855	5.378	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	766638123	VNGOKITUSWFIOQ-QMTHXVAHSA-N	403.276	5.178	30	20	HKED	
Cc1cncc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	767367893	RIVRUNJVOQVBRY-VMPITWQZSA-N	411.288	5.845	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1ccncc1	768366268	WLLHGAQHXGNYCP-RTBURBONSA-N	418.310	5.147	30	20	HKED	
Cc1nc(C(F)(F)F)c(COC(=O)c2cn(CCCC#N)c3ccccc23)s1	769543186	FBWIQZIRLNPGJL-UHFFFAOYSA-N	407.417	5.086	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3ccc(OC)cc3nc2C)cc1	770105394	APDXFCFSEPIBDM-OYHNWAKOSA-N	415.493	5.027	30	20	HKED	
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	770110098	IZQACVFVEMVATH-DNVCBOLYSA-N	417.843	5.365	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(C)cc(Cl)cc32)ccc1OC	772981212	XHUQBXAPHSQWOH-QUCCMNQESA-N	414.933	5.342	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3c2ccc(Cl)c3Cl)c1	772984268	PJGRCGRHYVWROU-HNAYVOBHSA-N	405.325	5.678	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(CC)C[C@@H](CC)c2ccccc2)c1=S	774698133	ACBNLZLYAOIVQE-LJQANCHMSA-N	407.587	5.135	30	20	HKED	
Cc1ccc(-n2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c(C(C)(C)C)n2)cc1	780153382	XIXIVYBVJRJMIM-KRWDZBQOSA-N	402.498	5.021	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1	780158251	LJJNMPLGVVBLEO-ZHRRBRCNSA-N	406.482	5.589	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	780179390	YBLGQICQDNELLD-LEOXJPRUSA-N	412.489	5.299	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C(F)(F)F)c(F)c1	784491573	WCRPAGFWQSPCJF-LBPRGKRZSA-N	419.161	5.112	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)cc1	789649854	NAPAGPMXZYAIAF-VQIMIIECSA-N	421.440	5.224	30	20	HKED	
COCC[C@@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)c(Cl)c1	792927762	RLEIOUZFWOZAOF-GOSISDBHSA-N	413.732	5.417	30	20	HKED	
Cc1ccc(-c2nc(/C=C/C(=O)c3nc(Br)ccc3F)cs2)cc1	794970791	NKALXPGHBYTEQR-SOFGYWHQSA-N	403.276	5.311	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)NCCCCC(F)(F)F	794977383	SKKPRQGHMCFJCO-UHFFFAOYSA-N	423.479	5.620	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)CCc1ncc(C(C)(C)C)o1	800799767	UBCKXOVAAMUMFY-UHFFFAOYSA-N	405.951	5.130	30	20	HKED	
Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2n1	807664009	XAPZNWFTLJTLOQ-QGZVFWFLSA-N	416.531	5.030	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)cc2)ccn1	810822997	FBZOIYOLUUXVDZ-XMMPIXPASA-N	413.477	5.385	30	20	HKED	
C#C[C@H](NC(=O)c1ccccc1SCc1c(C)noc1C)c1ccc(Cl)cc1	811949123	PYLIDMJDVCSGED-FQEVSTJZSA-N	410.926	5.341	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1C(F)(F)F	813217006	AOQNOOKYYNZSRS-FZMZJTMJSA-N	400.322	5.489	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2csc(-c3ccc(Cl)cc3)c2)c1OC	815436007	MLIIQIZSFLFSIW-QGZVFWFLSA-N	412.898	5.080	30	20	HKED	
N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1	904491402	UYBDCXOBZOORNV-FCHUYYIVSA-N	417.472	5.277	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=S)Nc3ccc(F)c(Cl)c3)c2)c1	916000768	PTDZTINFPAWBIY-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)nc2ccccc21	916843386	FAEUJERGMOYQGJ-VIIAAUOXSA-N	403.791	5.135	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2CC3)cc1	916911806	VBZATELSJKRSGP-FQEVSTJZSA-N	400.503	5.037	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2c[nH]c3ccccc23)cc1	916947150	FLFBXXQMGBAHGC-VGSWGCGISA-N	401.510	5.352	30	20	HKED	
Cc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995447	FNAYTEWTSGTQFM-MRXNPFEDSA-N	401.318	5.844	30	20	HKED	
CCSCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	918488288	YHMSKIPXADLIJB-QGZVFWFLSA-N	420.506	5.216	30	20	HKED	
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	919773579	SIAVJBKUFGLBTM-BQQUOAEZSA-N	424.548	5.299	30	20	HKED	
COCCn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc21	920036662	IDHJTPFYEASBFG-HSZRJFAPSA-N	409.489	5.195	30	20	HKED	
COc1ccc(OCc2nc(/C=C/C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1	920065948	OFVMEJKXYQTPBK-KPKJPENVSA-N	404.491	5.417	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)sc2cccc(F)c12	920105924	NOMJGEVOAGXCQA-CQSZACIVSA-N	420.465	5.182	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1	1359145475	QZANHINDPNTUFI-KRWDZBQOSA-N	414.981	5.000	30	20	HKED	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)cc1Cl	1792229047	TZLYTNCJHCURDE-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12	1797289076	JMRPPVAYZSEPEP-WKCHPHFGSA-N	404.554	5.084	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3csc(C)c3C)C2)CC1	1808790600	YZLKZBJWGJTHDX-UHFFFAOYSA-N	416.631	5.202	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(F)cc1	17704952	AIRCNLSRISGVDD-HNNXBMFYSA-N	421.501	5.482	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(C#N)c1C	19622317	ZVYCWKWBOPHAKL-UHFFFAOYSA-N	414.870	5.271	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)Nc3ccc(C(C)(C)C#N)cc3)cs2)cc1	25841982	YKHJETHOPZGVEN-UHFFFAOYSA-N	405.523	5.191	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1	48853134	QYMJDNXDPUPPKN-JOCHJYFZSA-N	419.509	5.889	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(OCCCC#N)c1	58535013	WJCIBBTUJZUUQB-UHFFFAOYSA-N	422.916	5.137	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc2c(c1)CCC2)[n+]1ccccc1)c1ccc2c(c1)CCC2	63441162	MILMJNLDEKBDAL-UHFFFAOYSA-O	413.566	5.002	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1	195557432	JKKUPDKMPLOGEM-MRXNPFEDSA-N	422.460	5.282	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccccc1F	195569114	ZVBYYCBIRHKDDI-CYBMUJFWSA-N	401.894	5.287	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccccc1	211736726	NKJCSECMACRCII-OWBHPGMISA-N	419.452	5.138	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(C2CCCCC2)no1	237600160	YBHWYKHJQPGEJS-SFHVURJKSA-N	416.525	5.419	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1OCC	248259864	QCOWKFVISORCEP-SFHVURJKSA-N	414.505	5.514	30	20	HKED	
N#CCCn1cc(C(=O)CSc2nc3ccccc3n2C(F)F)c2ccccc21	302851794	AHXPSZAWXRKMBH-UHFFFAOYSA-N	410.449	5.275	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)cc2)cc1	303069710	WRDQJEJUKJAHMP-DEOSSOPVSA-N	412.493	5.895	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F	303506936	BMSPECYEEGOESF-UHFFFAOYSA-N	409.383	5.083	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ncccc2Cl)CC1	429763010	XGLVOMKXVJJQMU-HNNXBMFYSA-N	414.962	5.541	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc(SCC#N)c2)cc1	429833392	QGUGWNNEMXPFFI-HSZRJFAPSA-N	420.509	5.164	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3CC(=O)c3cccs3)c2)cc1	432323730	GEHVBEASWINOPF-IBGZPJMESA-N	416.502	5.290	30	20	HKED	
N#Cc1ccc(NC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1	432948651	IUQSZBUWQJWPIP-UHFFFAOYSA-N	400.225	5.091	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN[C@H](CCCC#N)c2ccccc2)n(C2CCCC2)c1C	433027782	MTFZMKFWQIZTTO-HSZRJFAPSA-N	417.557	5.055	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	435132659	KIQYNXIKAAEEOV-UHFFFAOYSA-N	424.552	5.028	30	20	HKED	
N#CCC[C@@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccccc1	435916475	MTLAIQSMUADOII-JOCHJYFZSA-N	414.896	5.454	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	437880960	ZMEHMFOZMPBKKS-FZKQIMNGSA-N	421.394	5.253	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc2c(c1)OCO2	438653376	CSUSBCOJIULVDW-AWEZNQCLSA-N	419.412	5.101	30	20	HKED	
COCCOc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	438663624	FCBNDMDAWNROGL-UHFFFAOYSA-N	421.428	5.159	30	20	HKED	
C[C@@H](Nc1ccc2oc(CC(C)(C)C)nc2c1)C(=O)N(CCC#N)c1ccccc1	439592477	HUTGBAPJOSRSMZ-QGZVFWFLSA-N	404.514	5.164	30	20	HKED	
CCC(CC)(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	440377765	IZLHATIWAUNNBP-UHFFFAOYSA-N	422.579	5.399	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NCC1CCC(C#N)CC1	441737625	IMJAMVOEPLWTJX-UHFFFAOYSA-N	424.932	5.352	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(CCN(C)C)CC1)c1ccc(C(F)(F)F)cc1	442277437	BDYOWJOUIMKGQF-HXUWFJFHSA-N	411.512	5.086	30	20	HKED	
N#Cc1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(Cl)c1	444897009	FJPWRYFEPABFRI-UHFFFAOYSA-N	423.822	5.058	30	20	HKED	
COc1cccc(F)c1[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	460456406	IRCDXCLTQPBJGM-HNNXBMFYSA-N	406.482	5.348	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1c2ccccc2CC12CCOCC2	462526608	MUUSDGKDYNAWOW-HXUWFJFHSA-N	416.974	5.193	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2ccc(F)c(F)c2)nnc1-c1cccnc1	463264582	ZKBSMELEFURMRY-OAQYLSRUSA-N	420.488	5.686	30	20	HKED	
COc1ccc([C@H](NC(=O)c2cccc(CC#N)c2)c2ccccc2Cl)c(C)c1	464629666	KYYGOOJLZLHTSR-QHCPKHFHSA-N	404.897	5.243	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCCc1nc2ccccc2s1	464939732	YIXUVFMMJZAHEL-TZIWHRDSSA-N	403.551	5.307	30	20	HKED	
Cc1nn(-c2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)c(C)c1Cl	464940927	FHEJTSXJBJHESU-YADHBBJMSA-N	418.928	5.055	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@H](C2CC2)O1	471204161	XCGVWFHAGAPVDQ-RBQRDFNRSA-N	409.917	5.027	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1	472346580	FEIKLWZDPCAIRY-CQSZACIVSA-N	406.713	5.372	30	20	HKED	
C[C@@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)c1ccc(C#N)cc1	473480318	MZNPKAVEAYZDAG-OAHLLOKOSA-N	412.331	5.004	30	20	HKED	
COc1ccc(CC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	474268714	XPPUNIOHNBDBEE-OAHLLOKOSA-N	423.328	5.206	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)n1	474445380	MDQVFWVYAZRIPU-INIZCTEOSA-N	408.527	5.395	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccnc(Oc2ccccc2)c1	476156954	NOPJDFDXQOLUGF-UHFFFAOYSA-N	405.502	5.262	30	20	HKED	
Cn1cc(CNc2cccc(COC3CCCCC3)c2)c(-c2ccc(C#N)cc2)n1	478308068	WDGWWAWUSSAHEJ-UHFFFAOYSA-N	400.526	5.420	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1cccc(Cl)c1F	478846390	YYWMCRFVLPGUDD-HNNXBMFYSA-N	408.974	5.138	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(C#N)cc1	481571674	PRYNCXNFNQRSRN-INIZCTEOSA-N	414.440	5.031	30	20	HKED	
C=C(C)[C@H](N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)c(F)c1	481630440	WNLZSYAMJFKWMR-ZMZPIMSZSA-N	424.278	6.290	30	20	HKED	
N#Cc1cc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)ccc1OCC(F)(F)F	482813374	PQCGAJQMDBLEAE-OAHLLOKOSA-N	416.321	5.174	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1	482916337	SGENDTWEBCDFCW-UWJYYQICSA-N	411.546	5.386	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c12	483226151	JRXLTOQDDBUZPR-LJQANCHMSA-N	424.504	5.727	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1nccc2ccccc12	483239361	SDAGULVPWNGQLU-OAHLLOKOSA-N	419.200	5.506	30	20	HKED	
CN(C(=O)Nc1ccc(CC#N)cc1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	483846482	GOKNZCNMNQZBPW-QFIPXVFZSA-N	407.876	5.798	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccccc1	488354487	WMHWWJABXMFEOK-FQEVSTJZSA-N	419.912	5.676	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1ccccn1	497896264	DXVIVBKLRAZZHR-UZUQRXQVSA-N	419.912	5.012	30	20	HKED	
C=CCc1cc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc(OC)c1O	503291844	NFELAOQOSHNBMP-QFIPXVFZSA-N	408.929	5.251	30	20	HKED	
Cc1nc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)sc1SCC#N	504684401	JGLVNYROACOPBU-UHFFFAOYSA-N	421.547	5.336	30	20	HKED	
N#Cc1cccc(-c2nnc(CNC3(c4ccc(C(F)(F)F)cc4)CCCC3)o2)c1	505470573	CDIUNJSUBSQBNX-UHFFFAOYSA-N	412.415	5.186	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)CC1	506758506	RCCNEVCOWFPWHT-UHFFFAOYSA-N	421.888	5.233	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCN(C(C)C)C(C)C	506941636	XLDCPPSAQCZFEI-UHFFFAOYSA-N	422.573	5.028	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c2c(C)n[nH]c2n1	511612975	WBGIDPFFWPVYLF-UHFFFAOYSA-N	417.856	5.144	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCCN(C2CCC2)C1	512913691	WXAWNJAXBQMVEI-ICSRJNTNSA-N	418.541	5.125	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)CCCSCCCC(C)(C)C#N	513450433	APILPJLNBDREJJ-UHFFFAOYSA-N	411.409	5.848	30	20	HKED	
CN(CCC1CCCCC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	513987460	MSQYXKXHRNSQAN-UHFFFAOYSA-N	404.514	5.245	30	20	HKED	
COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1	515539263	LNOZKLZXIHZARZ-AWEZNQCLSA-N	424.432	5.054	30	20	HKED	
Cc1nn(C)c2sc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc12	515715622	UUEYRHUEZUNUPO-UHFFFAOYSA-N	422.897	5.513	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCC2)ccc1C	517461598	YFWUNQYVTKGNSZ-KRWDZBQOSA-N	408.567	5.706	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1	518137897	UFQRKZFPCQPPNK-HNNXBMFYSA-N	421.547	5.504	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(Cc2ccccc2)n1	520924451	XCBPGOSNTCMWRX-INIZCTEOSA-N	407.564	5.309	30	20	HKED	
CCc1nc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1	522090053	NCPFRDNXZWGKGS-KSSFIOAISA-N	424.957	5.897	30	20	HKED	
CN(C)C(=O)[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1	522545159	FQWNCQZJSRFLFW-QFIPXVFZSA-N	405.885	5.245	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1	534119547	NVTFIMWEIOFCBB-UHFFFAOYSA-N	424.451	5.701	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(C#N)s1	535254841	KPSTWJDBVGRQFO-UHFFFAOYSA-N	413.930	5.797	30	20	HKED	
C=CCC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C(F)(F)F)cc1	538231251	FHGBAJUODQWDGE-SFHVURJKSA-N	405.420	5.023	30	20	HKED	
Cc1cc(NC(=O)N[C@H](CC(C)C)c2ccccc2OCC(C)C)nn1CCC#N	538617780	ZMYIXWCQJREIKB-HXUWFJFHSA-N	411.550	5.049	30	20	HKED	
COCC[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1	551570554	VKNRGMSLHMHSTN-ORAYPTAESA-N	406.313	5.003	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1	552093877	ARJIMJQGNFQLOD-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
N#Cc1cccc(C2(NC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)c1	552817644	WEAAJNPXRXSJEE-UHFFFAOYSA-N	423.394	5.183	30	20	HKED	
CC1(C(=O)N2CCC[C@@]3(CC=CCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1	552989778	IDMMKPFFXRRLJB-DEOSSOPVSA-N	411.977	5.167	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)c1c(F)cncc1F)c1ccc(C(F)(F)F)cc1	553992506	JGCAPKFUNPBBST-PXAZEXFGSA-N	413.390	5.446	30	20	HKED	
CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1)C(C)C	554011483	CCDRSZAYPZZVNU-GOSISDBHSA-N	410.468	5.152	30	20	HKED	
N#CCCN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(F)cc1	554286913	WBBMNUONFPBGRM-UHFFFAOYSA-N	420.296	5.816	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1	554542515	DJVKCVXNPQJHEP-UHFFFAOYSA-N	421.953	5.064	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Cl)c(F)cc1Cl)c1ccc(OC(F)(F)F)cc1	559667950	BAWSVEKNOVBRQV-AWEZNQCLSA-N	407.150	5.026	30	20	HKED	
N#CCCC[C@@H](NCc1cc(C(F)(F)F)ccc1Br)c1ccccc1	560564533	MLKJBNJQPPGWRB-GOSISDBHSA-N	411.265	5.993	30	20	HKED	
CN(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	571086446	WNSWCARDPFBVKN-PHIMTYICSA-N	417.321	5.083	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2c2ccc(C#N)c([N+](=O)[O-])c2)nc1-c1ccccc1	575915331	RVXREQVDJSVTAW-IBGZPJMESA-N	402.454	5.586	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1ccccc1-c1ncc(-c3ccccc3F)o1)CC2	580703327	UZAVWYTZRNAUBM-UHFFFAOYSA-N	409.420	5.222	30	20	HKED	
CC(C)(C)C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	581836456	NKZCSARYJQWUNH-HXUWFJFHSA-N	424.976	5.479	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(C#Cc3cccs3)c1)CCC2	601103133	WUNFKIXGNRSXNH-FQEVSTJZSA-N	407.564	5.454	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	603691614	KBPFGRIPJHLJBW-MRXNPFEDSA-N	402.454	5.027	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSCc1cccc(Cl)c1	603738805	RODZGJFCVUEQAX-UHFFFAOYSA-N	423.925	5.579	30	20	HKED	
CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	604160447	KAUTUZARDZXPRY-UHFFFAOYSA-N	418.324	5.023	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc2ccccc21	609160790	GDRSHYLTAPQQJU-UHFFFAOYSA-N	409.449	5.061	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1cc(Br)cs1	609326695	MOWKBJVUQNQJBB-UHFFFAOYSA-N	415.312	5.141	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2)on1	609381698	LYUMHXHXKAMONO-UHFFFAOYSA-N	417.412	5.618	30	20	HKED	
CN(Cc1c(Cl)cccc1Cl)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609499591	SSWQRRLUONMGTF-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	609638785	FIWOYBRRDGCSJE-LBPRGKRZSA-N	416.852	5.002	30	20	HKED	
C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)c1ccc(C#N)cc1	609813523	JDALXKIZJQXDSX-CQSZACIVSA-N	403.532	5.387	30	20	HKED	
CC(C)n1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	610015570	MLYHVTHIZDKTQD-FQEVSTJZSA-N	407.905	5.095	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC3(c4cccc(F)c4)CC3)c2)cc1	610093475	MBJXLSQBPXJTQX-UHFFFAOYSA-N	415.468	5.282	30	20	HKED	
COCCCOc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	610225930	ICJBVWYGMUHFIA-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1	610863283	METUTHKUDLLDFW-HXUWFJFHSA-N	420.925	5.467	30	20	HKED	
CC(=O)Nc1c(C)ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C	611357139	CKACRICOURNKGC-UHFFFAOYSA-N	412.493	5.122	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(F)(F)CC1	670223027	BOLNLQAMNCTGEO-QGZVFWFLSA-N	412.484	5.383	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1	678603749	GLYMEGPQTATDLU-YWZLYKJASA-N	401.436	5.039	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678769250	QKJGTQSASSAKKX-RNFRBKRXSA-N	410.692	5.213	30	20	HKED	
O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	681664823	MKRHWTNPNUIQMM-AOOOYVTPSA-N	413.667	5.172	30	20	HKED	
COCCOc1cccc(/C=C2/CCc3nc(-c4ccc(OC)cc4)sc3C2=O)c1	727780315	KSBKHLIOMAFQAU-JXAWBTAJSA-N	421.518	5.056	30	20	HKED	
Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	728006826	SOAIRDDQZYMAAU-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	728062592	PWDWNMBWLCXPMX-QGZVFWFLSA-N	417.534	5.298	30	20	HKED	
Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc(COc2ccc(C#N)cc2)o1	728109831	VCSSCOGPTSWFQX-UHFFFAOYSA-N	420.446	5.112	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sccc3SC(F)F)n2)cc1	730691288	IHCDXBJQYRUICS-LBPRGKRZSA-N	422.503	5.685	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1	734080333	PPWWODYEPKAPPP-LJQANCHMSA-N	419.868	5.051	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1cccc(Br)c1)C(C)C)c1ccncc1	734681795	ZHADMLKQZGCSPN-IBGZPJMESA-N	402.336	5.082	30	20	HKED	
N#CCCCOc1cccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1	735623064	UJMBXNYPAQDTNS-UHFFFAOYSA-N	411.861	5.433	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccccc2Cl)c1	741398788	RLPDFMFIQWBVJL-UHFFFAOYSA-N	407.905	5.087	30	20	HKED	
COc1ccc(C(C)=NNc2nc(-c3ccccn3)nc3c2CCC3)c2ccccc12	741809787	SKMMQXNQNAIDPS-UHFFFAOYSA-N	409.493	5.025	30	20	HKED	
N#CCOc1ccc(CC(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cc1	742007916	STSSWOCHQUBFOS-UHFFFAOYSA-N	420.509	5.096	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1nc(Cc2ccccc2)no1	743473088	ARNORHGGFXYPCK-SFHVURJKSA-N	410.477	5.284	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1	744062712	WALNFWMMFSMJQI-KBOKABMXSA-N	418.547	5.325	30	20	HKED	
CC/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C)cc1	745125487	KECHIBGTCRLSSA-UIMCMNAESA-N	422.550	5.222	30	20	HKED	
CN1CCCc2cc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc21	746763385	IIMIBRXQGMFIAK-XMMPIXPASA-N	410.521	5.046	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)[C@H](C)C2)cc1C	747971762	SKFPNGYFRVRINX-UXHICEINSA-N	422.598	5.440	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4ccccc4Cl)n3)n2)cc1	748003563	CPHWWHVDLQUPOG-MRXNPFEDSA-N	418.909	5.448	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NO[C@@H](C)c1ncc(-c2ccccc2)o1	748100092	DEELNSZDHDDFSS-IBGZPJMESA-N	400.482	5.315	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)/C=C/c2ccccc2C#N)c(C(F)(F)F)c1	748658825	XWHSDANGOQWIQI-BMGYJQCNSA-N	404.457	6.120	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)n1	749016061	RKCQJBRANDFZIM-UHFFFAOYSA-N	405.548	5.035	30	20	HKED	
N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2Sc2ccccc2)CC1	750045209	HCKMGIMPARXFQM-UHFFFAOYSA-N	413.546	5.108	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1	752109870	HRRMLKQEMRPXDC-ILBGXUMGSA-N	420.553	5.002	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccncc1	758780988	VSRGIFLPZVAALN-FCHUYYIVSA-N	409.892	5.580	30	20	HKED	
Cc1nc2sccc2c(=O)n1N=Cc1ccccc1Oc1ccc(F)cc1Cl	763406822	JEYMQOZCFGYVMR-UHFFFAOYSA-N	413.861	5.233	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc(C#N)c(F)c1	766331519	SMKZCROIACKLPT-CYBMUJFWSA-N	411.839	5.915	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)Cc1ccccc1CC#N	766566110	QYDFOAFZTYYFAK-UHFFFAOYSA-N	417.896	5.148	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)cc1	774049605	BFOIQNMAFRHEKS-SFHVURJKSA-N	402.416	5.050	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)c1ccccc1	774259234	FYCZEMVMSJHWPR-MOPGFXCFSA-N	416.443	5.116	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1	780156613	FWVYYIWQFAPZHH-MHECFPHRSA-N	400.478	5.299	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	789368811	HLJQQABVOXEVLP-SFHVURJKSA-N	424.497	5.454	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	793572962	XFKOGMUQKHNXNV-LJQANCHMSA-N	414.977	5.142	30	20	HKED	
CCCCCCCN(C(=O)C[C@H]1COC(=O)C1)[C@H](C)c1ccc(Br)cc1	797358187	LIPBQZDCYAQZQD-IAGOWNOFSA-N	424.379	5.262	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)OCCCC3(C#N)CCOCC3)cc2)cs1	800127968	XWTSDVQNRKJSBG-UHFFFAOYSA-N	416.568	5.001	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](Nc2nc(Cl)c(C#N)s2)CCC3)cc1	804444837	IPWREQDVCBEDMT-CYBMUJFWSA-N	402.932	5.290	30	20	HKED	
Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	806265134	KRVDGRPMNDTLEZ-WZONZLPQSA-N	423.582	5.367	30	20	HKED	
Cc1cc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(C)n1-c1ccc(C#N)cc1	811552732	KOVNDHFQLJPDKE-HDICACEKSA-N	403.448	5.159	30	20	HKED	
N#CCCC[C@@H](NS(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccccc1	814288297	VIUCBLDQAUKJGK-QGZVFWFLSA-N	414.474	5.012	30	20	HKED	
CCCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2ccccc2C)cc1OCC	818619069	XOSUGKYKCHMDAR-MRXNPFEDSA-N	418.921	5.214	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)ON=Cc2ccccc2Br)c(Cl)c1	851984826	VJUGNJILPSBUFA-CYBMUJFWSA-N	409.711	5.097	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1	915087498	VJXXMZBTRPLHAS-LJQANCHMSA-N	409.258	5.496	30	20	HKED	
C#Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)c2cccs2)c1	915743489	OVHZMWNJHOLGAS-HXOBKFHXSA-N	416.546	5.087	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(OC(F)F)ccc3ccccc23)S1	915849118	ZLUWEJOMXOHNQF-UNOMPAQXSA-N	424.472	5.950	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2ccccc2N2CCCCC2)cc1	916546380	OEGJDJRJRYLUFG-UHFFFAOYSA-N	411.962	5.096	30	20	HKED	
CCN(Cc1nnc(-c2ccc(Br)s2)o1)[C@@H](C)c1ccc(C#N)cc1	919770384	AQILIZKEIIIONH-LBPRGKRZSA-N	417.332	5.015	30	20	HKED	
COc1c(C)cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1C	920367354	BMIWEJCKRHNMDA-UHFFFAOYSA-N	407.326	5.048	30	20	HKED	
CC(=NOCc1csc(-c2ccc(F)cc2)n1)c1ccc(NC(=O)C2CC2)cc1	920760080	RBQHVZWKEFEBRT-UHFFFAOYSA-N	409.486	5.239	30	20	HKED	
O=C(Nc1cccc(/C=C2/COc3c(F)cccc3C2=O)c1)c1ccccc1Cl	921266316	OAJAMDHHDOMLEO-PTNGSMBKSA-N	407.828	5.390	30	20	HKED	
N#Cc1ccc(CN(Cc2c(F)cccc2Cl)c2ccc3nc(O)[nH]c3c2)cc1	1307545923	JCCYGAYLIDZNTL-UHFFFAOYSA-N	406.848	5.139	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1	1790092118	PKDNKRQOPBRKAL-UHFFFAOYSA-N	420.896	5.247	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc(CC#N)cc1	22837307	FGBHLADWEDWXLQ-UHFFFAOYSA-N	411.461	5.342	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccccc1Cl	23604009	ZOAGVRWNTDNPJK-UHFFFAOYSA-O	412.966	5.186	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc(OCCCC#N)c1	55569781	XFGWOQJILWDRHD-UHFFFAOYSA-N	409.486	5.116	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Br)cc1Cl	57739837	UMYUQQAKLUIAIO-UHFFFAOYSA-N	411.686	5.893	30	20	HKED	
C=CCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1OC	58481813	CSMCQZJZHPCXEA-UHFFFAOYSA-N	420.490	5.060	30	20	HKED	
Cc1cc(CNC(=O)N(C)Cc2ccc(C#N)cc2)ccc1Oc1ccc(F)cc1	60575581	QWKZHZNXQSPGFZ-UHFFFAOYSA-N	403.457	5.140	30	20	HKED	
CCCCCOc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1OC	61981460	PQYLUTXEDRZFLJ-QZTJIDSGSA-N	409.530	5.257	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1F	65104678	KTDGDBQFGFCLKI-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c(C)nn(C(C)C)c1C	428205271	HKYFZZJMARVDNL-UHFFFAOYSA-N	402.498	5.234	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)Nc2cccc(COC(C)(C)CC)c2C)cc1	429052244	KBWXCBSJORSTCB-UHFFFAOYSA-N	409.530	5.260	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1	429075787	KYXXSXLFXDRROR-YLJYHZDGSA-N	404.539	5.524	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1-c1ccccc1	429118573	YIQMBDHQNUJZFZ-KRWDZBQOSA-N	412.415	5.110	30	20	HKED	
Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	430416013	HHRMLWZHTJEGJZ-LJQANCHMSA-N	407.901	5.517	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(N2CCCc3ccccc32)cc1	432681008	ZVOHEDGJQCFJMC-UHFFFAOYSA-N	412.493	5.101	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)c1ccccc1	435746875	BMSSVDQUCMOCIN-LJQANCHMSA-N	419.525	5.179	30	20	HKED	
Cn1c(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc2cc(C(F)(F)F)ccc21	436334677	URUVYGPQILMVIS-UYAOXDASSA-N	411.427	5.109	30	20	HKED	
C[C@@H](NCC1(Sc2ccccc2)CCCC1)C(=O)N(CCC#N)c1ccccc1	439589915	REVUTDXZXIKZTP-HXUWFJFHSA-N	407.583	5.016	30	20	HKED	
CC(C)N(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cnc2ccccc2c1	448459930	UGCXXGZBOXHVHC-UHFFFAOYSA-N	411.461	5.334	30	20	HKED	
CC(C)(C)[C@@H](C#N)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	464714446	UPBBVZUMBRFFCY-RAKLBKEISA-N	424.429	5.163	30	20	HKED	
Cc1csc([C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C2CC2)n1	464789431	BXKHPBAKOYSCKO-NRFANRHFSA-N	403.507	5.305	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c1	466871565	SSIYGKAWJSIXSD-UHFFFAOYSA-N	414.908	5.248	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1	467337554	VYNADZXWWQOIKI-HNAYVOBHSA-N	415.946	5.340	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccccc3O[C@@H]3CCOC3)cc2)c1	470600688	MOKPUJAPAKCIDO-OAQYLSRUSA-N	415.449	5.162	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1	475551814	YXZSFZSKICDORF-QFIPXVFZSA-N	419.569	5.355	30	20	HKED	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1	479190526	OOXFIRDPVUWUGX-JSRJAPPDSA-N	405.542	5.268	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C)c1ccc(F)c(F)c1	480573240	DHULRKQYLFPMCG-FQEVSTJZSA-N	415.484	5.697	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cncc(Cl)c1Cl	480867817	UHDWYISHBUOQJW-UHFFFAOYSA-N	400.290	5.664	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc(Cc2nnc3n2CCCCC3)cc1	481987119	ALRXVZSRJBXULW-DEOSSOPVSA-N	411.553	5.347	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	483218669	HTQDLWKVUIQURH-SWHYSGLUSA-N	400.338	5.192	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	483333307	DBKRUNUNAJUDKU-SCLBCKFNSA-N	403.404	5.201	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](c1ccncc1)c1ccc(Cl)cc1	483858687	FBHBVRZZGWPWMQ-FQEVSTJZSA-N	411.292	5.513	30	20	HKED	
N#Cc1cc(NC(=O)[C@@H]2CCCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1	485724194	YEYGKPXJXVWXCI-CQSZACIVSA-N	404.388	5.125	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1NC(=O)c1ccccc1	487576682	RLNNUIAIJAPVDG-QHCPKHFHSA-N	411.505	5.412	30	20	HKED	
Cc1ccccc1CNc1ccccc1NC(=O)CSCc1ccc(C#N)cc1	499124863	BYZUSDSUMGGIDG-UHFFFAOYSA-N	401.535	5.351	30	20	HKED	
C[C@@H](NCCCC1(C#N)CCOCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	499732495	KXYZHEHXOZROOE-MRXNPFEDSA-N	422.516	6.185	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@@H]1C	505004129	ATLXRRGLCZKAAW-IBGZPJMESA-N	400.526	5.096	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC(C)(C)c2ccc(Br)cc2)cc1	505680250	ZIWNSXWJVGHBIK-UHFFFAOYSA-N	400.320	5.307	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(OC(F)F)c1	505901260	OUSIFFYKEUKPNX-HNNXBMFYSA-N	424.291	5.572	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cccc(COCCOc3ccccc3)c2)c1	507665226	JHWMVNTZXMXMPV-UHFFFAOYSA-N	406.869	5.060	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	508240341	HEOXRDBDUXATOC-UHFFFAOYSA-N	421.762	5.326	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C	510496560	NQLFTNPOFGRDBP-HUUCEWRRSA-N	409.917	5.176	30	20	HKED	
C/C=C/c1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	510579135	KHFRFAKCWAXJBA-GORDUTHDSA-N	415.424	5.100	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1	510676517	YXLBEGDUHIKHJJ-GOSISDBHSA-N	403.482	5.108	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl	512506624	OCBWYSHLFHJKOD-OAHLLOKOSA-N	409.361	5.176	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccccc2)c2ccccn2)c1	513497888	CICVMCCDLSPGNF-UHFFFAOYSA-N	419.484	5.379	30	20	HKED	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[C@H](C#N)c2nc(C)cs2)cc1	513677640	ZWSPJRDYXIPLDU-IBGZPJMESA-N	416.481	5.242	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	517518597	NHQRZJMMLIYWDJ-CYBMUJFWSA-N	423.519	5.185	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2C)cc1	517893248	CCNGKFZUVSBSHR-UHFFFAOYSA-N	413.521	5.145	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cccs4)n3)n2)cc1	518516592	MGOGJVFAYGWWME-CQSZACIVSA-N	418.528	5.357	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(OCc3ccncc3)cc2)n1	519939174	QTGRSFLUYPENJV-UHFFFAOYSA-N	415.440	5.547	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3Cc3cccc(F)c3)cc2)cc1	521110547	MWYFVIHNLLUFCZ-HSZRJFAPSA-N	414.480	5.531	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1	521878553	AXSFVVUKDCXYQM-AREMUKBSSA-N	405.501	5.642	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)s1	522026179	SCQYGNCSYKQPFJ-UHFFFAOYSA-N	420.918	5.116	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)cc1	522779208	STNNJFCGGIJXFJ-UHFFFAOYSA-N	421.501	5.368	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCn1ccc2ccccc21	524405793	HXRUSHCFBHSMHJ-UHFFFAOYSA-N	409.489	5.429	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCO[C@@H]1CCCC[C@@H]1C	524438338	AHXXQRHHZNFICX-MHECFPHRSA-N	421.541	5.163	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)NCc1cccnc1Oc1cccc(OC)c1	525514608	BWVIJVJJBVTRNV-UHFFFAOYSA-N	409.530	5.160	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1Cl	525658080	JVNRNMLZRFYLED-LEWJYISDSA-N	418.949	6.214	30	20	HKED	
C[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1C(F)(F)F	525946278	QZTAADXKYYCLLC-INIZCTEOSA-N	416.443	5.141	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)c2)n1	532304372	SJGUUWNMPPKGCD-UHFFFAOYSA-N	424.460	5.578	30	20	HKED	
CCN(CC)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C	532771934	AXFFBOGJSLNRIA-KHPPLWFESA-N	420.582	5.073	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C1CC1	534964015	BSWUSHSHZPGCAR-MRXNPFEDSA-N	415.497	6.039	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	535587706	QQPUGWIQEKPGLV-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccc(Cl)c1Cl	535852541	FJWARXORIJCAMC-SFHVURJKSA-N	416.695	5.703	30	20	HKED	
N#Cc1csc(-c2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)c1	535959431	MITOPPVLNJWOHK-UHFFFAOYSA-N	413.487	5.522	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@H](c3ccc(F)cc3)c3cccs3)CC2)cc1	537293283	KWECHNAIDYJZDS-XMMPIXPASA-N	405.542	5.102	30	20	HKED	
C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	537696753	IVKRTAHERJAMKM-HOTGVXAUSA-N	401.441	5.033	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(Cc2ccc(Cl)cc2)CC1	537747294	NSQQIWDKNALXDQ-UHFFFAOYSA-N	417.896	5.669	30	20	HKED	
Cc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(-c2ccccc2)s1	543574271	QHXYXUKSZHQBSQ-CQSZACIVSA-N	408.433	5.353	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCO)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	543880552	BHZZDEMJQDKJJF-DFBJGRDBSA-N	413.521	5.099	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCC(C)CC4)nc3)n2)cc1	546863678	GERMHFSFDFUDNL-HXUWFJFHSA-N	416.550	5.240	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Cc2c(F)cccc2C#N)c1	552413525	KJQLAZHLTIWSNW-GJZUVCINSA-N	414.480	5.006	30	20	HKED	
COCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSC1CCCCC1	566820542	AEENRTBAZPPDQS-JOCHJYFZSA-N	400.544	5.047	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)nn1C1CCCCC1	573146071	KEFJORLRPAHPEW-UHFFFAOYSA-N	401.470	5.008	30	20	HKED	
CC(C)OCCCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	576381997	QQAYOTGNDFXGOV-UHFFFAOYSA-N	415.921	5.069	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)s1	578056308	GXXZONDEOMTATO-HNNXBMFYSA-N	411.552	5.255	30	20	HKED	
CC[C@H](c1ccc(Br)cc1)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1	580859581	VAIBKADSVCGIPB-IEBWSBKVSA-N	421.298	5.096	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccccc1OC	583662056	NPIBTPRCFOPKSI-FXAWDEMLSA-N	422.504	5.093	30	20	HKED	
C=CCOc1ccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1Cl	589639053	PGFSUOUHVOBXMH-STQMWFEESA-N	415.805	5.904	30	20	HKED	
N#C[C@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc2cc(F)ccc2s1	592973971	LONLFCRKEOCLIO-SECBINFHSA-N	421.305	6.447	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(C)c1OC(F)F	594363166	MQLCFQYVMIXDIB-QGZVFWFLSA-N	423.444	5.390	30	20	HKED	
Cc1nc(C)c(C#N)c(SCc2csc(-c3ccc(Br)cc3)n2)n1	600820014	RHAGRVYFFLUTFY-UHFFFAOYSA-N	417.357	5.143	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCCc3nc4ccccc4s3)s2)cc1	602227273	HJCRTXJOQZRZET-UHFFFAOYSA-N	418.547	5.177	30	20	HKED	
CC[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(C)noc1C	604572695	LWWSRLGGNYEOKI-SFHVURJKSA-N	409.873	5.741	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC2CC2)c2ccccc2)cc1	608290406	PPUSYPLKDRCAQX-HSZRJFAPSA-N	403.526	5.164	30	20	HKED	
Cc1cc(C(=O)Nc2ncccc2OCCCC#N)sc1-c1cccc(Cl)c1	608882149	GQXFGMJCPCQDBY-UHFFFAOYSA-N	411.914	5.707	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)Oc1ccc(F)cc1	609062093	WZTPFXRAXLNUQY-UHFFFAOYSA-N	418.468	5.381	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	609067568	CRHPFIUYNBEKGD-UHFFFAOYSA-N	424.247	5.450	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccccc3C(F)(F)F)c2)cc1	609165027	BCOCIXHEVPHELK-UHFFFAOYSA-N	424.422	5.532	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3cccs3)n2-c2ccc(Cl)cc2)ccn1	610955130	REGACRLYQNQFAQ-UHFFFAOYSA-N	409.927	5.208	30	20	HKED	
CC(C)OC1CCC(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1	611051849	BYSYRIVSSDRSNV-UHFFFAOYSA-N	412.917	5.470	30	20	HKED	
CCc1cc(OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2n1	611291848	UOYNNEBXCPYRGQ-INIZCTEOSA-N	405.523	5.209	30	20	HKED	
COc1ccc(-c2cc(NC(=O)N3CCC[C@](C)(C#N)C3)ccc2OC(F)F)cc1	612295001	MDQWUBAKPXHFRU-JOCHJYFZSA-N	415.440	5.121	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OC1CCCC1	613391804	CGZKNMNWHZINHZ-LJQANCHMSA-N	418.518	5.630	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(Cc1ccc(Cl)cc1)C1CC1	616056328	OCSZEKDGPGWXEE-UHFFFAOYSA-N	406.835	5.085	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cs1	618783008	MZJHHCUIXCRZSQ-HXUWFJFHSA-N	405.548	5.033	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCc2cc(C#N)ccc21	618852557	HBYLSUWCVRPWFK-FQEVSTJZSA-N	401.432	5.185	30	20	HKED	
Cc1cccc(Oc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)c1	619725239	WPMARFNYLMBTMT-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
O=C(CCSc1ccccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642158768	VSJZYEOWZWGNBW-GHMZBOCLSA-N	417.390	5.334	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(-c2ccccc2F)on1	642230385	RICRPZCLWAQVIP-NXEZZACHSA-N	424.316	5.120	30	20	HKED	
CCCCn1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	676458451	GSZVEXZZARPEKZ-ZDUSSCGKSA-N	406.433	5.110	30	20	HKED	
CCOc1ccc(Oc2ccc(NC(=O)NCc3ccc(OCC#N)cc3)cc2)cc1	727935785	XPVWTJQNARIOLV-UHFFFAOYSA-N	417.465	5.102	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)cc2)c1	727980603	OFIMITSDIINQKT-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3C)o2)cc1	728062495	LGMBTPRVWBCKKV-IBGZPJMESA-N	424.504	5.977	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nnc(-c2cccs2)o1	728668567	YOAAFDVFHVBUNE-CQSZACIVSA-N	417.446	5.380	30	20	HKED	
N#CCOc1ccc(CNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1	729970202	VKBUUUQMQNIYKO-QFIPXVFZSA-N	424.472	5.017	30	20	HKED	
O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccccc1C(F)(F)F	730950278	CKQADWHHEBHMDR-YFHOEESVSA-N	416.351	5.472	30	20	HKED	
Fc1ccccc1-c1nc2c(s1)C(=NNc1ccc(Br)cn1)CCC2	731926609	MJXIUQBQOVNYJM-UHFFFAOYSA-N	417.307	5.259	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)no1	731972056	LVAVSLRYIKDNBA-UHFFFAOYSA-N	410.433	5.156	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C	732596365	RDCFFKCKDREQFX-KRWDZBQOSA-N	404.510	5.005	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1nc2ccccc2s1	733079494	DVFPPFARRLLPNA-UHFFFAOYSA-N	414.416	5.003	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1	733807993	XYAYOEYVLJWCDW-SFHVURJKSA-N	406.313	5.016	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](CC)c2ccc(Cl)s2)ccc1OC	734068238	ASDFKUNDPWVZEE-HUUCEWRRSA-N	421.950	5.042	30	20	HKED	
Cc1c(F)cccc1-c1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)o1	734304501	LSPNSVQJSJUCAP-LUAWRHEFSA-N	405.469	5.251	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F)c1ccncc1	734661704	PWFLLDJSLBRGPM-RBUKOAKNSA-N	405.464	5.599	30	20	HKED	
CC(C)(C)c1nnc(COC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)o1	735165613	OABJWDNCMHCBNE-UHFFFAOYSA-N	411.845	5.041	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1	735788014	HWGYYAZRPGJQSH-YAINUAMHSA-N	410.477	5.098	30	20	HKED	
CCOC(=O)N(C)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	737805016	CMDXALMCMQIVLC-UHFFFAOYSA-N	414.465	5.147	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3OC)cc2)cc1NC(C)=O	741467415	NSNCFZMMQRTTOW-UVTDQMKNSA-N	401.462	5.225	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)c(OC)c1OC	741843144	NSCWJVBYYQOSQV-POHAHGRESA-N	412.429	5.263	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c[nH]c3cc(C)ccc23)cc1	745947534	CPIJTPSNLFCDHG-JOCHJYFZSA-N	401.510	5.099	30	20	HKED	
CC(C)c1ccc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc1[N+](=O)[O-]	747127836	NCXPXGIXFROXCR-BKUYFWCQSA-N	415.449	5.018	30	20	HKED	
COc1ccc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1OCCC(C)C	747613328	XVYOHJKEVAECDW-KGENOOAVSA-N	424.566	5.629	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=S)NC34CC5CC(CC(C5)C3)C4)c2)c1	750989075	DEELGZOBCCZLIX-UHFFFAOYSA-N	417.578	5.392	30	20	HKED	
CC(C)[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1ccccc1Cl	758121656	WWMBHVYESOIQBW-QGZVFWFLSA-N	424.806	5.051	30	20	HKED	
CCO[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(C)C	761049754	QSOLEFNZZDMYBB-KBXCAEBGSA-N	411.354	5.744	30	20	HKED	
Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1	761872971	UHVQYUSSDGUUNE-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1	762213711	JZIXEVPKBOESRQ-LEWJYISDSA-N	403.869	5.251	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c1	772983416	KDZHRLKSGXVWJG-KKSFZXQISA-N	408.933	5.366	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)s1	773973077	BXVJFYIZEPVHCR-QGZVFWFLSA-N	409.898	5.042	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C/C(=O)c1cc(Cl)sc1Cl	774119738	NFJYCAWCWNDDRS-VOTSOKGWSA-N	409.743	5.398	30	20	HKED	
C=C[C@@H](CC)OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	776104176	MVLXCJWBMZSPTR-HIFRSBDPSA-N	414.552	5.193	30	20	HKED	
N#CCc1ccc(COC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1	776115212	YDRATLWYBNZGIN-UHFFFAOYSA-N	402.397	5.252	30	20	HKED	
COc1cc(CNc2cccc(OCC#N)c2)ccc1OCc1ccc(Cl)cc1	779586518	YOAXUSRNYBKLEO-UHFFFAOYSA-N	408.885	5.442	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F	781444766	BTCAGMPOZRAECC-LJQANCHMSA-N	417.362	5.306	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1	782803790	XRMSSHMUKVWYIR-DEOSSOPVSA-N	405.457	5.072	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2csc(-c3ccc(F)cc3)n2)c2ncc[nH]2)c1	787167366	CZKNNKGCFGFJCF-UNOMPAQXSA-N	405.454	5.104	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)c(-c2ccncc2)n1	788347157	AHQLYJVCJNGXCP-DUXPYHPUSA-N	402.841	5.154	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CCN(c3nc4ccccc4s3)CC2)s1	797567282	FTYLYGAOSANKDB-HNNXBMFYSA-N	424.595	5.143	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl	809923804	CUHIHUZGSZAHTQ-APWZRJJASA-N	423.413	5.085	30	20	HKED	
C[C@@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F	811417916	CMJUTXIKSDAMHG-MRVPVSSYSA-N	420.284	5.646	30	20	HKED	
CCCC1C/C(=C/c2cn(C)nc2C(F)F)C(=O)/C(=C\c2cn(C)nc2C(F)F)C1	812240073	JCSYFIWFZBSRSB-QKPPEBSVSA-N	424.442	5.275	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2csc(C(C)C)n2)cs1	812243966	WZHMFKAOSCWMSO-JXMROGBWSA-N	411.552	5.612	30	20	HKED	
CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	814280903	HPIZMDRWCISVBV-PDGQHHTCSA-N	413.955	5.096	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1N1CCSCC1	814627101	DFVGTRZULBDJGH-NRFANRHFSA-N	408.571	5.105	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3ccccc3F)n2)n1	815971273	ZKHKNNONFAXXCE-AWEZNQCLSA-N	413.543	5.683	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCC(=O)Nc2c(C)cccc2C)cc1OCC	826099392	AZYLRCCMJVPYJE-UHFFFAOYSA-N	418.921	5.134	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(C2SCCS2)cc1	914521715	KABWWERARZKNJC-UHFFFAOYSA-N	406.532	5.477	30	20	HKED	
O=C(CSCc1coc(-c2ccccc2)n1)N1CCCSC1=Nc1ccccc1	916033202	PGTQSUHFZYTKOC-UHFFFAOYSA-N	423.563	5.228	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1C	916846663	BJFAUHQPIJKPGH-CNZFZVQHSA-N	417.534	5.091	30	20	HKED	
Cc1ccc(SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917042848	HUJDKEKZOXSCPN-CQSZACIVSA-N	420.481	5.901	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(F)c4)CCOCC3)n2)cc1	920111382	VMFHISMAOHZAOF-FQEVSTJZSA-N	420.509	5.182	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc2c(O)nccc12)c1ccc(-c2cccc(C#N)c2)cc1	1466563895	OHZCUWRFYCEUHF-MRXNPFEDSA-N	408.461	5.362	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1	1786465190	LILILUGGZFJYFM-QFBILLFUSA-N	404.501	5.158	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1	1788803189	VFQDVFUVORPGIK-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1	1831599563	SYTILJAEBOTJJJ-SQJMNOBHSA-N	424.629	5.184	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccccc1OC(C)C	97542535	BRAGRIVSBPNMNT-UHFFFAOYSA-N	414.505	5.414	30	20	HKED	
CN(C)CCc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	97542562	SDRPRWVKHYXBRL-UHFFFAOYSA-N	401.535	5.066	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1	108997254	LDWXHKWORVERFP-UHFFFAOYSA-N	423.447	5.482	30	20	HKED	
N#CCCCOc1cccc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)c1	110624759	YFSSQXCMJNYTGO-XDJHFCHBSA-N	400.503	5.705	30	20	HKED	
C[C@H](CC(=O)NCCSCc1ccccc1C#N)c1ccc(C(F)(F)F)cc1	195646869	JRMMKRGVQSQKCL-OAHLLOKOSA-N	406.473	5.120	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1Nc1ccccc1	303143049	LFFLTFFGLZPHOX-UHFFFAOYSA-N	420.472	6.050	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1CCc1ccccc1	303263444	FSSWAXBSYSSGLS-LJQANCHMSA-N	400.547	5.976	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	303291704	BFMXGJSVNFCYOI-BPLDGKMQSA-N	405.350	6.130	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCSc2c(F)cccc21	303419239	XVBWICNJHNDFMX-XJKSGUPXSA-N	401.532	5.436	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)nn1-c1cccc(C#N)c1	428424370	TUQZAEFLHJCPIF-UHFFFAOYSA-N	412.415	5.145	30	20	HKED	
COc1ccc(-n2c(S[C@@H]3CC[C@H](C#N)C3)nnc2-c2ccccc2Cl)cc1	430099306	DYVOEHIUUIZIQM-WMLDXEAASA-N	410.930	5.381	30	20	HKED	
CCOC(=O)c1c(NC(=O)N(C)CC(C)(C)C#N)sc(C)c1-c1ccc(F)cc1	433278729	KUVYIDKCMCFKCC-UHFFFAOYSA-N	417.506	5.053	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(F)cc1C#N	433972433	QXZVWOXRYUCMGH-UHFFFAOYSA-N	413.861	5.225	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	437404689	NOWONKJNNQRQIG-RTWAWAEBSA-N	404.416	5.113	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1	438386565	RAQCDZYIFCJSNS-UHFFFAOYSA-N	419.367	5.098	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(CCC(F)(F)F)CC3CC3)cc2)cc1	438692163	KPOGOCRPHYZYKC-UHFFFAOYSA-N	403.404	5.547	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	439491418	KETNIHPUVBCTRK-QGENPCKLSA-N	419.525	5.144	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@H](CCC#N)c1ccccc1	439660244	XIDBQOCEXVZCTO-RDTXWAMCSA-N	403.345	5.091	30	20	HKED	
CCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1	442066270	UBXGDALDVZGDCI-UHFFFAOYSA-N	406.255	5.148	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@@H](CN(C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1	442292515	MXWZYOHFBNODNI-GHTZIAJQSA-N	423.523	5.086	30	20	HKED	
C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1cccc(C#N)c1	442908848	OXHFTTGEAIABHN-HUUCEWRRSA-N	411.962	5.268	30	20	HKED	
Cc1ccc(F)c(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	445237378	MQWPXLUPRVNWBF-UHFFFAOYSA-N	417.484	5.443	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2S[C@H](C)CC#N)cc1	446629662	BGRCFIAGMAQXPU-GCJKJVERSA-N	423.582	5.255	30	20	HKED	
Cc1csc([C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C2CC2)n1	460293223	JROVILIIOYAXBM-OAQYLSRUSA-N	403.507	5.191	30	20	HKED	
C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(F)c(Br)c1	461903835	VEFBUQIVXFMKGC-CQSZACIVSA-N	415.306	5.145	30	20	HKED	
C[C@@H](C(=O)N(C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	464339952	UAAWWPRTRVEBSN-SJKOYZFVSA-N	414.349	5.443	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	464406408	DPDIXVZWASFCMG-IBGZPJMESA-N	412.436	5.883	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1coc(-c2ccc(C)cc2)n1	466779590	SUVOGSRJEOZGBP-UHFFFAOYSA-N	401.919	5.263	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1	467161029	UXLMAXQFERGECL-GOSISDBHSA-N	423.513	5.030	30	20	HKED	
CO[C@@H]1CCOc2c(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cccc21	468682231	BHTALJCSSPOTON-HSZRJFAPSA-N	414.461	5.267	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2o1	470889391	QGSJGYORUXOHGK-UHFFFAOYSA-N	405.401	5.413	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	471251760	RZFLTIABMGEZCW-WBMJQRKESA-N	423.822	5.809	30	20	HKED	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	474596703	SRNRPTADEBLXTN-UHFFFAOYSA-N	413.525	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	475552814	SGPZZFWAUMQEOT-JTHBVZDNSA-N	410.533	6.062	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1	475586447	TUSNLRXEHISRIO-UHFFFAOYSA-N	414.943	5.396	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(F)cc1C(F)(F)F	477609314	NWPGVJRGEXFUGY-UHFFFAOYSA-N	417.227	5.717	30	20	HKED	
COC(=O)c1csc(-c2cccc(CNc3ccc(C(F)(F)F)c(C#N)c3)c2)n1	477795330	HTCOMWHDCKDFRH-UHFFFAOYSA-N	417.412	5.099	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NC(=O)c1c(F)cc(C#N)cc1F	479056684	IJQFIGORLGHJRE-UHFFFAOYSA-N	401.210	5.313	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21	480571306	HSXNAAVBRZYKKV-HXUWFJFHSA-N	413.974	5.616	30	20	HKED	
Cc1nc2ccccc2n1C1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1	480847731	AQYVVGCGSODVSU-UHFFFAOYSA-N	401.901	5.260	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1	483326590	WHNPAEMLSTZXFQ-HXUWFJFHSA-N	416.443	5.176	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C	484176211	LLZJADIJJIYHFB-QGZVFWFLSA-N	417.513	5.452	30	20	HKED	
CN(Cc1ccc(Br)cc1Cl)C(=O)Nc1ccc(C(C)(C)C#N)cc1	484274560	XNPBPWBEPHRNQL-UHFFFAOYSA-N	420.738	5.568	30	20	HKED	
Cc1sc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1	484494003	XLZRPJIHBFUZNO-UHFFFAOYSA-N	422.941	5.132	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1c(F)cc(F)cc1Br	487230828	BLFTVQRXDRRZPH-YOEHRIQHSA-N	420.257	5.031	30	20	HKED	
CC(=O)c1cc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F	487364679	YWXOHKVQJFYMTI-OAHLLOKOSA-N	422.300	5.472	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)NC12CCC(C(F)(F)F)(CC1)CC2	491456963	HCVYPQBTQPKHHQ-UHFFFAOYSA-N	414.321	5.343	30	20	HKED	
Cc1sc([C@@H](C)NCCCC2(C#N)CCOCC2)nc1-c1ccc(Cl)cc1	499628255	WSYQGRCQMWJXDE-OAHLLOKOSA-N	403.979	5.523	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1	503226159	OYDSYKVVWNEPIB-UHFFFAOYSA-N	417.465	5.328	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	505966353	QCNUHGGKSCQTLC-ZDUSSCGKSA-N	407.442	5.194	30	20	HKED	
CCCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC	506197293	VFXPLUBBKSPXTF-QGZVFWFLSA-N	409.530	5.558	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1	508093266	CLIMSRNVGAMKJC-QGZVFWFLSA-N	415.335	5.246	30	20	HKED	
N#CC1CCC(CNC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1	508346915	KZPHIYRKADAKGA-UHFFFAOYSA-N	408.354	5.106	30	20	HKED	
CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	512347060	QAVYEXSIIVFTGE-SFHVURJKSA-N	402.498	5.193	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(-c2ccncc2)cs1	512958696	MQYRPAPOPQXDJA-GFCCVEGCSA-N	424.457	5.097	30	20	HKED	
N#C[C@H](C(=O)c1occ2c1CCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	513616895	IRNUWQVZJJBXDM-CQSZACIVSA-N	403.290	5.689	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	515541833	DBNRPWRSOSBLIJ-QGZVFWFLSA-N	401.516	5.732	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)sc2c1CCCCCC2	515677728	VPDAIASPXPDANZ-SFHVURJKSA-N	410.539	5.089	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccc2ccccc2c1	518256197	PQPDFMRGFULHPS-KRWDZBQOSA-N	405.523	5.435	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1	518266421	XLNVEYVEFDJCGR-HXUWFJFHSA-N	400.522	5.775	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	518662331	CIMJOWVTYCFDSR-MRXNPFEDSA-N	417.490	5.234	30	20	HKED	
COc1ccc([C@@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)cc1	518910534	HCWVPXZGSBMVBT-JOCHJYFZSA-N	412.489	5.183	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519052754	FBPHEVNUOOIREB-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CCc2ccccc21	520174301	CMFJJLZNALCMCM-JOCHJYFZSA-N	416.550	5.537	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1	520789881	ILGUQGDMSOZWAU-VWLOTQADSA-N	413.521	5.299	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl	520807994	XKRPUPNHLQROFW-UHFFFAOYSA-N	409.338	5.797	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCc1nc2cc(Cl)ccc2s1	521716408	LZQZYQKMGBVZQV-UHFFFAOYSA-N	401.944	5.527	30	20	HKED	
C[C@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	543871168	QEROZDMFQJSERI-HNNXBMFYSA-N	407.876	5.307	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	543886488	RCXXZBIBWNTNQI-VLIAUNLRSA-N	423.879	5.151	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1	543886876	ZZDUTZZHSJWYQT-IBGZPJMESA-N	405.889	5.075	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2)cc1	543974690	PBLUJEFAUQDVND-HXUWFJFHSA-N	404.491	5.751	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1(C)C	544746847	PHGLPZPVFDGIBA-APWZRJJASA-N	410.901	5.584	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	547956047	XICNTKIYRILAFU-NRFANRHFSA-N	410.304	5.512	30	20	HKED	
C=C(C)Cn1c(-c2sccc2C)nnc1N(C)Cc1csc([C@@H](C)OCC)n1	549271785	SCTKGVZGEPEXMI-OAHLLOKOSA-N	417.604	5.082	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)n1	552172633	KOWZQZZEEZGRBB-SECBINFHSA-N	417.815	5.192	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc2ccccc12	557728154	PFIJFAOBGXKFQV-WZONZLPQSA-N	415.562	6.603	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F	558323069	LUPNIQFYGVPPPV-OAHLLOKOSA-N	419.300	5.751	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Oc3cnn(C)c3)n2)cc1	558872190	CXORVOAFXJYXLQ-IBGZPJMESA-N	414.490	5.134	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)o1	561763730	RKVPOVAJDYQYGL-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)s2)o1	562189440	KBEGJSJJRSHEHR-UHFFFAOYSA-N	416.462	5.331	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc3c(c2)CCCC3)cc1	572384925	UCXYVUXXXQTTJX-UHFFFAOYSA-N	410.517	5.392	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1	576434725	LHUBMWXVAJGOOO-JTSKRJEESA-N	422.504	5.093	30	20	HKED	
N#CCCn1cc(CN(CCc2ccccc2)Cc2cccnc2)c(-c2ccccc2)n1	580602256	BZEHTWPGCAGTQB-UHFFFAOYSA-N	421.548	5.104	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)c(F)c1	586829791	PBJFBDNGNLXOHG-UHFFFAOYSA-N	414.889	5.249	30	20	HKED	
C=CCn1c(Sc2cc(C)nc(-c3ccccn3)n2)nnc1-c1ccc(Cl)cc1	597900893	KNGGQOIRGZEILH-UHFFFAOYSA-N	420.929	5.096	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nc2cc(F)ccc2s1	601931351	IOQBHOQAEODLIW-MRXNPFEDSA-N	424.403	5.996	30	20	HKED	
COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)ccc1C#N	602755571	DSSMNIQPHNIGBO-OAQYLSRUSA-N	407.832	5.130	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OCc2ccccc2)CC1	606761334	PYUODLZEJJFYBW-UHFFFAOYSA-N	419.443	5.092	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	608553051	MZFBYDZIRZWRRT-GFCCVEGCSA-N	406.280	5.070	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCCCCOCc3ccccc3)cc2)c1	609434380	AJNQDTYHTDKBKV-UHFFFAOYSA-N	415.493	5.469	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)c2cccs2)cc1	609744163	LDRVJPHXVDTPSW-UHFFFAOYSA-N	407.495	5.477	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCCn2cnc3ccccc32)cc1F	610313436	BDNQMMMEYWHJOR-UHFFFAOYSA-N	414.440	5.258	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2)o1	610424316	GNSQGNJTEXXZCC-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cn1)c1nc(-c2ccc(Cl)cc2)cs1	613320474	ZJXXQDLBQGOYQO-ZDUSSCGKSA-N	407.804	5.367	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1csc(C(F)(F)F)n1	622485606	SDKOPWGTUGIEFY-VIFPVBQESA-N	422.272	5.214	30	20	HKED	
Cn1ccnc1[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1	679580353	HBRVOYFXGBVFSJ-XNISGKROSA-N	423.376	5.148	30	20	HKED	
CCCCCCCCCN(C)C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C	727592290	COMZLAGSXUDUCE-UHFFFAOYSA-N	419.635	5.398	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727934848	MVGPNWDOPWOPIW-DNQXCXABSA-N	411.505	5.720	30	20	HKED	
C[C@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	728175284	OLZFZFWELDJYCW-INIZCTEOSA-N	405.498	5.324	30	20	HKED	
C#Cc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cn1	728805316	KFWVTYMAYPSUTD-UHFFFAOYSA-N	409.514	5.076	30	20	HKED	
Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)c(C)n1-c1ccc(C(C)C)cc1	728871052	GISLLEFGRNHSJZ-UHFFFAOYSA-N	400.526	5.169	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2o1	730070841	BKOQNNBBEWXWHI-HXUWFJFHSA-N	416.864	5.479	30	20	HKED	
COc1ccc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)c(Cl)c1OC	730435792	CHNDKJWOAFQLQK-YHYXMXQVSA-N	411.654	5.081	30	20	HKED	
CCn1cc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cn1	732531301	XDBPUVJPBIALOX-LCYFTJDESA-N	414.328	5.002	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1	733030627	GWPVPPSKLZGMAK-QPPBQGQZSA-N	417.459	5.989	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C)c(C(F)(F)F)c2)ccc1OC	733618750	BFEPSCINFNPFME-MRXNPFEDSA-N	421.419	5.025	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)c1ccncc1	734455196	ASMDFHDOJHPUNH-MRXNPFEDSA-N	402.420	5.078	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	741436216	OMJYNWCIITWCBE-MGPQQGTHSA-N	420.387	5.314	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	742998834	NGGGGOJGVBFQHB-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1ccc(Oc2cnccn2)cc1	743056532	XLDOESSCEWOIES-FLIBITNWSA-N	417.465	5.736	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)s1	744038419	UIPUVPUTTMQIQP-YXVBKTCISA-N	400.454	5.075	30	20	HKED	
CCCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)c1ccc(C)o1	746661000	WVMRHVAGPXABCP-GBXCKJPGSA-N	415.537	6.639	30	20	HKED	
O=C(/C=C/c1ccc(O)c(Br)c1)c1ccc(-c2ccc(C(=O)O)o2)cc1	747122967	WQBSUXSASQRSGW-LREOWRDNSA-N	413.223	5.009	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N	747842334	DDGYNRILVOQUNR-FTRWYGJKSA-N	418.928	5.001	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(F)cc2F)[n+]2cccc(C)c2)c1	748996140	RRXYCTVTBVUQQI-UHFFFAOYSA-O	421.492	5.174	30	20	HKED	
CCn1nccc1/C=C1\CCc2nc(-c3ccccc3Br)sc2C1=O	753718310	WLWVOQLEBVBTTN-VAWYXSNFSA-N	414.328	5.002	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)C1	753912962	IWENYCINGDRQIN-LYBXBRPPSA-N	420.509	5.110	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=NNc2ccc(C(F)(F)F)nn2)CCC3)cc1	754708934	JKPKJIPVZCSPNU-UHFFFAOYSA-N	403.433	5.080	30	20	HKED	
O=C(/C=C/c1c(Cl)oc2ccccc12)c1ccc(S(=O)(=O)CC(F)F)cc1	761204576	ICFPOFSNWUMMEM-MDZDMXLPSA-N	410.825	5.021	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1C	765359400	WORDOVASTHEAQD-QGZVFWFLSA-N	417.538	5.651	30	20	HKED	
N#C[C@H]1C(CN2CCC[C@H]2CCC2CCCCC2)=CC(=O)n2c1nc1ccccc12	767902018	KPVRZPHHFFETSN-SFTDATJTSA-N	402.542	5.049	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1SC(F)(F)F)c1ccc(Cl)c(Cl)c1	768173779	FHDINYSEKSSRJR-CYBMUJFWSA-N	405.228	5.600	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(F)cc2Br)ccc1OC	772985993	MMRFIOPZHSXZIS-BBRMVZONSA-N	421.310	5.129	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cccc(Br)n3)s2)cc1	777916698	PMEHGJWEYWMCTF-FLIBITNWSA-N	415.312	5.181	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc2)cs1	780150611	MJCCCYCKICRVBX-CQSZACIVSA-N	409.536	5.287	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1	780150882	WZTNGFRREKXHKW-INIZCTEOSA-N	416.443	5.837	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F	781459869	BLIVHPYIEGNRPN-XOBRGWDASA-N	413.399	5.556	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1cccc(OCc2ccccc2)c1	788032195	PNIAPIWVOOSNRK-UHFFFAOYSA-N	401.495	5.015	30	20	HKED	
CC(C)Sc1cc(Br)ccc1C=NNc1ccc2c(=O)[nH]ccc2c1	789073613	ODPZEQQJYLBXEC-UHFFFAOYSA-N	416.344	5.237	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)[C@H](C#N)c2nccc3ccccc23)cc1	792094159	DGPGPBQQEYRCJT-QFIPXVFZSA-N	400.478	5.253	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1	796632758	ARBLXRVDZGQBPZ-HXUWFJFHSA-N	409.445	5.018	30	20	HKED	
C=CC[C@@H](OC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1	797554281	RUTBEQYGSDSUMK-HXUWFJFHSA-N	402.277	5.169	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797570409	GHJNSDNZLSPICB-BXUZGUMPSA-N	423.401	5.560	30	20	HKED	
O=C(/C=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1cnn(C2CCCC2)c1	799895609	JGTOZMHBVMFUJU-CMDGGOBGSA-N	411.303	5.047	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnn(C2CCCC2)c1	799897468	VBUVOSUFVMUBQN-OUKQBFOZSA-N	409.493	5.142	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC([C@H](O)c2ccccc2C)CC1)c1ccc(F)c(F)c1	805303441	XAZFUPVGXIVZFD-PKTZIBPZSA-N	414.496	5.046	30	20	HKED	
O=C(/C=C\c1nc2ccc(Br)cc2s1)c1cc(F)ccc1[N+](=O)[O-]	806559632	CUESLKLUHWQBRX-WAYWQWQTSA-N	407.220	5.002	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)ncc1Br	812986145	QPWJOWGDCKGIBS-JTQLQIEISA-N	410.724	5.002	30	20	HKED	
C=CCC(C)(C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	814129765	HOTLTFSSLOHOMC-QGZVFWFLSA-N	402.535	5.354	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3oc(C(C)(C)C)nc3C#N)s2)cc1	814821807	LOAUYIKJNKALIV-UHFFFAOYSA-N	409.515	5.120	30	20	HKED	
N#Cc1cc(C(=O)OCc2nc(-c3ccccc3Cl)cs2)cnc1C(F)(F)F	815478040	GDZMPENONVQTDF-UHFFFAOYSA-N	423.803	5.106	30	20	HKED	
Oc1c(Cl)cc(Cl)cc1/C=N\C1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	914702779	LXTTWZIZYNTOTD-XHXSOJMJSA-N	408.169	6.027	30	20	HKED	
CSCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2ccccc12	915088352	MVLOWHGUKVWKKM-NRFANRHFSA-N	412.514	6.204	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1	919867975	HWQXBVSADOTMOS-UHFFFAOYSA-N	420.456	5.365	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1	1789456437	UHCWRUPMVQWHLR-LJQANCHMSA-N	423.944	5.251	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](C)Oc3ccccc3)CCC2)cc1	1791253321	BUMIQWYRPLBWCN-PMACEKPBSA-N	420.553	5.190	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1828827035	GWCUVCADDLOHQX-IDSBPIFPSA-N	412.618	5.121	30	20	HKED	
Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccccc1	11258214	AXAOKNQGYXDTNS-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(C(=O)OC)o2)nnc1-c1ccc(Cl)cc1	31843610	RVYGWUFUYIOCBZ-GFCCVEGCSA-N	403.891	5.017	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	41521872	VULDDVULFRQXLT-INIZCTEOSA-N	402.397	5.241	30	20	HKED	
CCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC	41537413	LQOPSPFNBAJLAX-HNNXBMFYSA-N	412.898	5.361	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cs1	58613817	HPGQYIWBCXEVRQ-UHFFFAOYSA-N	418.503	5.066	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ncc(-c3ccc(F)cc3)o2)cc1	71833739	ZRXAZCVUPKQFFN-INIZCTEOSA-N	409.486	5.217	30	20	HKED	
CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1OC	105410144	QUGUAIZWLSQQOY-UHFFFAOYSA-N	423.694	5.024	30	20	HKED	
N#Cc1cccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1	208021386	LXZQQIWWHJPLRH-YVMONPNESA-N	423.222	5.385	30	20	HKED	
COc1ccc([C@@H](NCc2cc(C#N)cs2)c2ccccc2)cc1Br	237265253	YCKZRMVHXLMMFQ-FQEVSTJZSA-N	413.340	5.270	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1-c1ccccc1	428274769	SGVGYZQOIALULU-UHFFFAOYSA-N	422.488	5.295	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1	429971107	YZQRGTYVLNTXMF-UHFFFAOYSA-N	421.909	5.460	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)cc3Cl)c12	430373372	UWNOQZWYWUUMEZ-UHFFFAOYSA-N	408.889	5.466	30	20	HKED	
CCc1ccc(-c2noc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)n2)cc1	431279540	GMHMJSAFVIVKAQ-UTKZUKDTSA-N	417.513	5.094	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	434954228	GWVCOFYVGHLFRC-SNVBAGLBSA-N	424.398	5.244	30	20	HKED	
Cc1nc(-c2cc([C@H](C)NC3CCC(Oc4ncccc4C#N)CC3)cs2)cs1	437099162	PVVOWUVWXVMCTG-YCMKEVRSSA-N	424.595	5.488	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)c2)cc1	437396388	WXEZSXLDFIZWPY-RTWAWAEBSA-N	420.415	5.238	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1C(F)(F)F	438637011	MPVXUSRXNFPFOB-AWEZNQCLSA-N	405.273	5.141	30	20	HKED	
CCCCc1oc2ccccc2c1CN(C)Cc1nnc(-c2cccc(C#N)c2)o1	441253785	IFFJQTGRCSAHLH-UHFFFAOYSA-N	400.482	5.329	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	444174728	XSOAEFREBNHNOC-LZJOCLMNSA-N	411.546	5.242	30	20	HKED	
Cc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OCC2CC2)c1	447063407	LWLYPIVDRAFKDS-KRWDZBQOSA-N	409.555	5.500	30	20	HKED	
CC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1C	447456785	BMKUZCGJTWTWTO-UHFFFAOYSA-N	406.429	5.475	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F	469919417	PULZTKRMJQWOKW-UHFFFAOYSA-N	414.431	5.501	30	20	HKED	
C[C@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)Cc1ccc(Cl)cc1	469955338	DKHPNSNQKRJKIJ-KRWDZBQOSA-N	423.944	5.130	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1	473824131	NUHMITCHXDVPRM-HUUCEWRRSA-N	407.499	5.014	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	477755135	NYWSNKGSJZXEBA-ZFWWWQNUSA-N	419.419	5.508	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1C)c1ccc(F)c(F)c1	480830051	PITFPKPRPMZFQH-QVKFZJNVSA-N	415.484	5.240	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cncc(Cl)c2Cl)cc1	480836381	AUJVWWPYTJKFCI-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1sc2c(c1C#N)CCCC2	482168691	ZZNIZLUFUZGOAY-HNNXBMFYSA-N	417.534	5.295	30	20	HKED	
CCc1c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cnn1C(CC)CC	482757341	XNKDMUAZUMRCEL-UHFFFAOYSA-N	416.525	5.510	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2)c(C)c1Cl	483229546	BINOAAQNLBNSIF-HXUWFJFHSA-N	400.869	5.181	30	20	HKED	
C=CCn1c(SCc2nc3c(F)cccc3n2CC)nnc1-c1ccccc1F	483234196	DWYAACJEGJLOJD-UHFFFAOYSA-N	411.481	5.071	30	20	HKED	
C=CCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])c1nc(-c2ccccc2)cs1	485755670	YLZGFLROZKPBEY-UHFFFAOYSA-N	411.508	5.273	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1	487477509	VMUHMSDNBJVYRQ-HXUWFJFHSA-N	403.507	5.165	30	20	HKED	
C=CCC[C@H](C(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccccc1	489022688	HJBFGTBBGKWDNM-NRFANRHFSA-N	407.514	5.175	30	20	HKED	
CCc1cnccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	492121043	DHARJGWSFMETAE-UHFFFAOYSA-N	420.900	5.070	30	20	HKED	
C[C@@H](Nc1ccc2nc(C3CC3)sc2c1)C(=O)Nc1sc2c(c1C#N)CCC2	495681901	DNYMPCHJRUYOIN-LLVKDONJSA-N	408.552	5.035	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cncs1	499048859	UGDBQMCCTZDSGP-JTQLQIEISA-N	422.272	5.214	30	20	HKED	
Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1SC[C@H](C)C#N	499376526	XVDIZCLRPMRTII-CQSZACIVSA-N	410.930	5.338	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccn2)c1	499893199	HSGINSWMORHIOE-JPYJTQIMSA-N	416.550	5.553	30	20	HKED	
N#CC1(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)CC1	500766517	JZLAIGRLYVCEST-UHFFFAOYSA-N	402.310	5.032	30	20	HKED	
CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)no1	501331459	UZDGCFRATOSSRI-INIZCTEOSA-N	421.423	5.233	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CC=C(c3cccc4ccccc34)C2)c1C#N	501578555	DIYJDDQCRATXTQ-UHFFFAOYSA-N	411.530	5.245	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	502547675	WPZKEAIEDAQROW-UHFFFAOYSA-N	412.799	5.310	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	502569560	MJAZMYSDTNFKRM-UHFFFAOYSA-N	416.481	5.217	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)NCc1cn(CCC#N)nc1-c1ccccc1	503922797	YVZAXWKMCWJGEH-KRWDZBQOSA-N	412.459	5.203	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1	507716169	GRCNIRVCIODCBC-UHFFFAOYSA-N	421.831	5.530	30	20	HKED	
CC(C)(C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc(F)cc(C#N)c1	508584846	AKXZQARFRHGAMM-UHFFFAOYSA-N	423.875	5.241	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ncccc2F)n1)c1nc2cc(Cl)ccc2s1	509914603	RYMGJOPDRDZXQX-JTQLQIEISA-N	414.874	5.097	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F	510993402	DMFFLNZIOLMMMO-UHFFFAOYSA-N	408.420	5.165	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)s1	511514027	QWPWJQUHXZHVCN-CYBMUJFWSA-N	424.913	5.408	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc(-c2ccncc2)cs1	512980206	HCISXGFYMUKSEI-GOSISDBHSA-N	413.527	5.522	30	20	HKED	
CC(C)CN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccc(C#N)cc1	512983518	SFNOXNQPYCUORX-UHFFFAOYSA-N	415.971	5.628	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1ccc(C(F)(F)F)cn1	513201339	GZRIPEDODIZVOY-IBGZPJMESA-N	412.436	5.883	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccs2)C(C)C)cc1	513866798	XEMKEQIMSQHCIU-UHFFFAOYSA-N	421.522	5.863	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1	514355793	DGBIQFWEZIZXAM-SFHVURJKSA-N	418.566	5.111	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1Cl	514465707	BQDIPOWSVARNMZ-FRQCXROJSA-N	420.862	6.303	30	20	HKED	
Cc1sc(NC(=O)CCCCOc2ccc(Br)cc2)c(C#N)c1C	518195667	ONPKXHFPEUBVPZ-UHFFFAOYSA-N	407.333	5.187	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	518239791	LZHNCNHVFHUVOU-QGZVFWFLSA-N	415.518	5.585	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1	522577173	ZWDYKQBUQVHYFE-UHFFFAOYSA-N	416.786	6.275	30	20	HKED	
COc1cc(COc2ccc(C(C)=O)cc2C)ccc1OCc1cccc(C#N)c1	522623764	ISBSRMOQHOMGGM-UHFFFAOYSA-N	401.462	5.236	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	523965181	PMZKUTWRDOBIMM-ASSNKEHSSA-N	415.946	5.165	30	20	HKED	
CCN(C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)[C@H](C)c1ccc(C#N)cc1	525046764	LZJCHXQPLSSEAN-QGZVFWFLSA-N	416.525	5.420	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)n1	525325428	NVWDITLQGRJLTJ-GOSISDBHSA-N	401.516	5.732	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1c(Cl)cccc1Cl	535095986	MVZMAESFIGYKEM-GOSISDBHSA-N	416.695	5.703	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1	536834838	YSWNPTIOZBIJTA-NTKDMRAZSA-N	424.566	5.116	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1ccc(I)cc1	538137273	DCNPXWZNQVMMIP-ZDUSSCGKSA-N	408.308	5.155	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1	538236234	HMHWWZUCEQBPPW-MOPGFXCFSA-N	405.567	5.064	30	20	HKED	
C=CCC[C@@H](NCc1csc(-c2ncccn2)n1)c1ccc(C(F)(F)F)cc1	540434434	LOOIYAZKGHCGAN-QGZVFWFLSA-N	404.461	5.416	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1CCc1ccccc1	543593612	BAVJWSHAJBYVIP-CTNGQTDRSA-N	407.583	5.958	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC1CCCC1	544073732	FSQONHUHGIRVJZ-MRXNPFEDSA-N	410.539	5.663	30	20	HKED	
CCc1ncc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1	544677608	NIJFMLWZPHUMLA-UHFFFAOYSA-N	408.474	5.255	30	20	HKED	
O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1	555420754	NEYTVHHXRFWLET-HNNXBMFYSA-N	410.289	5.536	30	20	HKED	
N#Cc1cccc(C2(NCc3nc4cc(Cl)ccc4n3Cc3ccccc3)CC2)c1	556507588	DASWVTFKMNZQMJ-UHFFFAOYSA-N	412.924	5.389	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	567139138	FKRBDGVBCBFUII-UHFFFAOYSA-N	415.474	5.120	30	20	HKED	
N#Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	588768110	RFYISPVBIGESIJ-UHFFFAOYSA-N	408.914	5.357	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1	589741171	VBDIRZYPTPJBLZ-UHFFFAOYSA-N	413.949	5.035	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2cc(C#N)ccn2)cs1	603947772	YZHPVFCGWRGAFP-UHFFFAOYSA-N	400.916	5.040	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	609081222	WLIHCKVQDBPQPO-NSHDSACASA-N	413.346	5.403	30	20	HKED	
CC(C)(C)c1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1	609105431	YOSNAFNOHZRYDD-UHFFFAOYSA-N	409.486	5.283	30	20	HKED	
COc1cccc([C@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	609326734	SNNVAWGJMMBEKG-SFHVURJKSA-N	402.469	5.351	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1cccc(Cl)c1Cl	609435062	NONGPXIUXRKKQI-ZDUSSCGKSA-N	408.354	5.752	30	20	HKED	
CCC[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccn1	609723979	BCOULMNKPWQAGN-NRFANRHFSA-N	405.885	5.670	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1	609729506	HEHXQVXBVFJTDJ-FQEVSTJZSA-N	405.816	5.138	30	20	HKED	
Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	610016019	ZICFBGWNURHKQL-GOSISDBHSA-N	400.482	5.149	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)cc1Cl	611048191	UEYTZSLECPQFNY-GMAHTHKFSA-N	419.887	6.113	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)C1CC1	611095536	MQNZVKGUXSPWRT-CQSZACIVSA-N	403.404	5.654	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccc2ccccc2n1	613292560	OSNWCHQZZCFVNC-AWEZNQCLSA-N	424.357	5.068	30	20	HKED	
C=CCn1c(S[C@H](C)c2c(F)cccc2F)nnc1[C@H]1COc2ccccc2O1	613908502	UXELMQZMPGVHJB-FZKQIMNGSA-N	415.465	5.108	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@H]1CCc2cc(C#N)ccc21	618783904	MIBXMGWKULMDRH-SANMLTNESA-N	417.512	5.428	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	619752442	IYNWKMVRGIYWHC-KRWDZBQOSA-N	409.283	5.275	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccc2ccccc2n1	620058251	ZSLDLALGZDUYDY-QHCPKHFHSA-N	414.468	5.578	30	20	HKED	
O=C(CCc1ccccc1OC(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622477971	QTGWBDGFFWBIEI-HNNXBMFYSA-N	423.328	5.467	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1NCc1ccccc1	672239297	SOJOEYASJPSZEJ-UHFFFAOYSA-N	402.542	5.295	30	20	HKED	
O=C(CCC(F)F)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	684476199	OQTOQUKSBXSNDR-LLVKDONJSA-N	417.218	5.489	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cc(-c3ccncc3)ccc2C)cc1OC	726152430	OLVQBECMYHFYMU-JXMROGBWSA-N	400.478	5.282	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)COc2ccc(C3SCCCS3)cc2)cc1	726941696	IPMJBQYMYAXNON-UHFFFAOYSA-N	412.580	5.189	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	727934571	ZZFLDBYHSPOEMM-UHFFFAOYSA-N	421.884	5.143	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1c[nH]c2cc(Br)ccc12	729936921	JBPJYBHIWLDVDT-ALCCZGGFSA-N	410.296	5.345	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	730395577	MQWTZZNKKDTWSL-HNNXBMFYSA-N	418.424	5.366	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	730920365	LFAUYJLZIZAPCU-TZRRMPRUSA-N	410.517	5.416	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sc(N2CCCC2)nc1Cl	731332028	AYTOQNJNGGZHTA-LBPRGKRZSA-N	406.964	5.043	30	20	HKED	
C#CCCOc1ccc(CN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1	733324954	NLMVVPBJBYZLFO-LJQANCHMSA-N	416.496	5.331	30	20	HKED	
CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	733621032	GXQYXVVRRNWNFL-QHCPKHFHSA-N	403.913	5.702	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2csc3ccccc23)ccc1OC	733649791	YXJYHHOVFIVZGW-WBVHZDCISA-N	423.538	5.151	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](c3ccccc3)C[C@H]2C)c1=S	734477174	LWPYXUFWGLLAKB-UYAOXDASSA-N	420.582	5.111	30	20	HKED	
N#CC(CCOC(=O)C[C@H]1OCCc2ccccc21)(c1ccccc1)c1ccccc1	734605330	DLOVESFCSNCWCG-RUZDIDTESA-N	411.501	5.134	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cccc(Cl)c2Cl)c1	735515344	MLSZUDBBTUKRAH-HIFRSBDPSA-N	406.313	5.235	30	20	HKED	
FC(F)(F)c1cc(NN=C2CCC[C@H]2Cc2ccccc2)nc(-c2ccccn2)n1	735614911	HLNXVKZAKKLYKY-INIZCTEOSA-N	411.431	5.368	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1	735622508	DBFOLQJNABUKFC-UHFFFAOYSA-N	411.861	5.409	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(OC(F)F)c(Cl)c3)c2)s1	740010498	DBYNIXGBEOPORE-UHFFFAOYSA-N	404.869	5.831	30	20	HKED	
COc1ccc(SCCC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1OC	740775870	OGQQOPHECZMEML-UHFFFAOYSA-N	419.502	5.330	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc3cc(F)ccc3o2)c1	741759590	NKAXUHWYRTUOCX-UHFFFAOYSA-N	424.501	5.345	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)c2c1	742405725	BLQPABMLGVPXIB-XMMPIXPASA-N	405.929	5.327	30	20	HKED	
CSC(C)(C)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	743141199	XQFZHIUQYBCJOR-UHFFFAOYSA-N	403.935	5.054	30	20	HKED	
CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	746658061	ASXZVFRYMLYECS-QHCPKHFHSA-N	403.913	6.049	30	20	HKED	
N#CCCCCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	748136136	LCLJKKJGAFUOJK-HHUWHTLVSA-N	411.386	5.346	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C3CCOCC3)CC2)cc1	752190389	URXKAKRUDKYWQN-DEOSSOPVSA-N	403.526	5.013	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1F	756936417	OGPDPCLNBZFYSV-UHFFFAOYSA-N	416.452	5.316	30	20	HKED	
C#CC[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	757615277	VLMGUUWQOBXZPP-LJQANCHMSA-N	414.452	5.252	30	20	HKED	
COc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)s1	763126565	XLWUKDZHPHKAAW-UHFFFAOYSA-N	415.927	5.039	30	20	HKED	
CCOCCC1(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCCC1	763496218	SFORUZGGTOWGGK-CQSZACIVSA-N	404.482	5.252	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3O)cc1Cl	768474744	ZCFSURKNLWZMCG-LJQANCHMSA-N	420.852	5.072	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cn(C)c2ccccc12	774018299	SLWKHFBVDGLJJT-DZGCQCFKSA-N	421.472	5.560	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCc2c(Cl)cccc21	776076509	HAUHCWAQVXFWFK-KGLIPLIRSA-N	407.684	5.024	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCCOCc2ccc(Cl)cc2Cl)c(Cl)c1	776713443	INWTVKQAWIRPOJ-UHFFFAOYSA-N	418.107	5.118	30	20	HKED	
CC[C@H](C#N)SC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cc(C)cc(C)c1	780332057	KKJRWKUUMWKSHJ-TTYLXTBDSA-N	405.523	5.091	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1ccc(OCc2ccccc2)cc1	788028611	OFINPRSODAHTLU-UHFFFAOYSA-N	401.495	5.015	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c(-c2ccncc2)n1	788345841	ONYDBEIZUNMDFW-VAWYXSNFSA-N	404.473	5.422	30	20	HKED	
O=S(=O)(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cccc(C(F)F)c1	794602768	QZJKFGPMJAPOEG-UHFFFAOYSA-N	417.302	5.045	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3cc(Br)ccc3o2)cc1	794739393	OSJXCAPBFBMBCZ-UXYFDLPDSA-N	403.663	5.618	30	20	HKED	
Cc1sc2nc([C@@H](C)OC(=O)c3sc4ccc(C#N)cc4c3C)nc(O)c2c1C	796626313	QOMZGRXNMXWXBY-LLVKDONJSA-N	423.519	5.327	30	20	HKED	
C[C@H](OC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2o1	805595440	MQXPPHJKOYWKQP-HNNXBMFYSA-N	423.900	5.264	30	20	HKED	
Cc1ccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2c1	810531567	NBTJKGFVEMFSLT-CYBMUJFWSA-N	403.290	5.478	30	20	HKED	
CC(C)COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813212070	WVMNCTDBHNWUFQ-SFHVURJKSA-N	404.432	5.289	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N3CCCSC3=Nc3ccccc3)o2)cc1	821735999	PIDQPAGQEAPUMV-UHFFFAOYSA-N	405.523	5.236	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(Br)cc4)no3)cc2)nc1	904717851	RUMMCHHSSIGEDV-UHFFFAOYSA-N	419.238	5.225	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1	915084932	BERRGLGEBDNTIG-HHHXNRCGSA-N	418.496	6.173	30	20	HKED	
CC(C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916905093	MGHCMGAKSXEJBZ-OAQYLSRUSA-N	414.461	5.227	30	20	HKED	
Cc1ccc(CCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916908156	LSIIJGMGKCIPBB-JOCHJYFZSA-N	412.489	5.458	30	20	HKED	
CCOc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920143595	RWXRVYUWMXVTEY-LJQANCHMSA-N	424.547	5.186	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1	1789327546	JXKGKSBPELJARS-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)C1	1804866017	HYBBAKZZYUSYKL-BHIFYINESA-N	414.634	5.036	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)CC1	1832889950	WYJLHBIVGDJRIC-SQJMNOBHSA-N	422.613	5.178	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1-c1ccccc1	9449171	KQUSRGRPSANSQL-UHFFFAOYSA-N	420.563	5.556	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccco1	29550625	HDCXCMJXGMARIC-FQEVSTJZSA-N	416.506	5.196	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2ccccc2s1	41498069	NILMSQTZPPJQCL-GOSISDBHSA-N	415.449	5.178	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC[C@H]4CCCO4)cc3)n2)cc1	46706722	WNKPYCUMVTUXNV-NHCUHLMSSA-N	418.518	5.166	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCC(c3cccc4ccccc34)CC2)cc1	60214082	MNWIPRPDMRFJCY-UHFFFAOYSA-N	400.547	5.351	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](c3ccccc3)c3ccncc3)c2)c1	60960040	LPRBHMDTVIBFMY-MHZLTWQESA-N	405.501	5.411	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1	63394600	WMLSGQRMKQIWFV-UHFFFAOYSA-N	418.884	5.619	30	20	HKED	
CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	71858143	RBNZSLVMMKSYGH-UHFFFAOYSA-N	421.522	5.294	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1	303561826	LJFNPMCFNXSUJT-NRFANRHFSA-N	418.493	5.243	30	20	HKED	
N#CCCC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	431633614	DAPBQDOMKUPMHT-KRWDZBQOSA-N	416.852	5.072	30	20	HKED	
COc1ccc(-c2nc(CN[C@@H](CCCC#N)c3ccccc3)cs2)cc1OC	433012269	SEMSCNJXHZZOSB-FQEVSTJZSA-N	407.539	5.352	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1	435595371	BUCMBHDFNGCRRR-NGQVCNFZSA-N	418.562	5.823	30	20	HKED	
CC(C)(C#N)CCCC[S@@](=O)Cc1coc(-c2ccc(Br)cc2)n1	436108478	WTGIPJUWFJYGKL-XMMPIXPASA-N	409.349	5.073	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl	438067786	ARPFWPCACSXWGQ-JKSUJKDBSA-N	413.974	6.349	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H](COCc1ccccc1)c1ccccc1)c1ccccc1	438862503	WYONJNBAUJXNOE-DQEYMECFSA-N	413.521	5.289	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	439505261	ARXRUCLQIPPGCS-QGENPCKLSA-N	419.525	5.144	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1nc(C2CC2)no1	439646115	LWNWCDYIDNEYHX-GFCCVEGCSA-N	414.387	5.803	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1	443854835	KYPZOKXWDXGTEO-MRXNPFEDSA-N	409.461	5.333	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c2ccccc21	443874502	GHOVHELCSDBGKV-UHFFFAOYSA-N	401.388	5.138	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1)c1ccccc1	444141876	JUVRTIRIGRFLBN-FQEVSTJZSA-N	422.532	6.370	30	20	HKED	
CC[C@H](N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(C#N)cc1	447528476	JGGVQFQUZISOPI-BVZFJXPGSA-N	415.512	5.680	30	20	HKED	
CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccccc1Oc1ncccc1C#N	462207238	JZUDZUOFNBITOO-UHFFFAOYSA-N	404.426	5.053	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	463542964	JWQSVHDESYVVRD-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1cc(C(F)(F)F)ccn1	464473908	IIDUPKIBXCWJGR-MRXNPFEDSA-N	422.366	5.036	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)C1(C#N)CCCC1	466911451	SMLOOANVSMOFOM-ZDUSSCGKSA-N	418.360	5.142	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C	471284951	BCXKEQSDRWMRDL-BEFAXECRSA-N	417.431	5.250	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c(C)c1	471921885	KHWZROQZJOETRJ-UYAOXDASSA-N	422.598	5.316	30	20	HKED	
COc1ccc(F)cc1CC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474274670	NRTSWJMUUVKSIQ-HNNXBMFYSA-N	423.328	5.206	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cn1	475510085	UDECGUSTVXSYDK-INIZCTEOSA-N	422.326	5.146	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	476525247	YIGHOUNXBXGILE-AWEZNQCLSA-N	411.527	5.525	30	20	HKED	
Cn1cc(CNCc2ccc(Oc3ccc(F)cc3)cc2)c(-c2ccc(C#N)cc2)n1	479911167	DRBSWQTVNHYVSC-UHFFFAOYSA-N	412.468	5.180	30	20	HKED	
CC(C)CN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCCc2cccnc21	480569809	XLERICOIAOHTTP-RXVVDRJESA-N	422.598	6.043	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cn(-c2ccccc2)nc1-c1ccncc1	481927978	ZUIFTEQRRUGPQQ-AREMUKBSSA-N	419.532	5.363	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	481966798	LIDVAHCHKBIHRJ-UHFFFAOYSA-N	418.927	5.082	30	20	HKED	
COCCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)c1ccccc1	482382072	DMYHZRVMIAOSSX-LJQANCHMSA-N	400.478	5.200	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482407542	MWSDUPJALROOKC-JDNHERCYSA-N	408.317	5.249	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1coc(-c2ccc(Br)cc2F)n1	485629719	JXUSPYRAHDMNSW-UHFFFAOYSA-N	422.298	5.035	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2	485704599	XQRIZSHOHBDBTJ-UHFFFAOYSA-N	406.526	5.221	30	20	HKED	
COc1ccc([C@@H](NCc2cc(C#N)ccc2F)c2ccc(C(F)(F)F)cc2)cc1	486195516	FWKJRLALHUXXBA-QFIPXVFZSA-N	414.402	5.604	30	20	HKED	
Cc1ccc(-c2nc(CCNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)co2)cc1	486649651	FYJCEPIQAGCPLH-UHFFFAOYSA-N	423.472	5.287	30	20	HKED	
CC(C)c1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c2cnn(C(C)C)c2n1	487444329	IEZIMZOZFOZBEL-NRFANRHFSA-N	403.530	5.301	30	20	HKED	
C=CCn1c(SCc2nc3cc(F)ccc3o2)nnc1-c1cccc(Cl)c1	489623289	GRFXJEYUNGSAKA-UHFFFAOYSA-N	400.866	5.357	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1	489639558	YKDLHHJXXVLAIQ-INIZCTEOSA-N	410.499	5.113	30	20	HKED	
C=CCC[C@@H](C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1)c1ccccc1	490266655	CWZWDWRHLFBXOC-JWQCQUIFSA-N	418.581	5.037	30	20	HKED	
FC(F)Oc1ccccc1[C@@H](NCc1nc2ccccc2n1C(F)F)C(F)(F)F	491272661	USVOHBWUSZOSDL-OAHLLOKOSA-N	421.316	5.426	30	20	HKED	
COc1ccc([C@H](NC(=O)NCC(C)(C)CCC#N)c2ccccc2Cl)c(C)c1	498378982	SDJUQKPHVPWJCP-NRFANRHFSA-N	413.949	5.376	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1ccc(Br)cc1	499439679	WRLWSIWVRUCONO-ACRUOGEOSA-N	405.295	5.087	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	505770236	DJILURZSUQWVHS-SNVBAGLBSA-N	407.804	5.127	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCc1nnc(-c2ccccc2Cl)o1	510201784	ZMXXTUDVVGJKPH-UHFFFAOYSA-N	404.882	5.616	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)cc1	512510548	ZICVPOXGGZNBPY-UHFFFAOYSA-N	411.383	5.431	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CN[C@H](C)c1ccc(C#N)cc1F	512633651	AKUQKIOUTLGXFC-QGZVFWFLSA-N	405.473	5.524	30	20	HKED	
CCCN1Cc2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2C1	513216648	GGIOYVWIIJOAHF-UHFFFAOYSA-N	411.505	5.115	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc2)cs1	513667822	WRBDWYSZLGZJPG-SFHVURJKSA-N	418.547	5.121	30	20	HKED	
C[C@@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1sc2c(c1C#N)CCCCC2	514766852	LNZYQSJPGFDBNK-OPAMFIHVSA-N	419.550	5.188	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)cc1	515710930	GRGJYPWBQYXWPB-UHFFFAOYSA-N	406.825	5.027	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCc1nc2c(s1)CCCC2	517531385	CPYVKMWZZGOVFY-OAHLLOKOSA-N	414.600	5.170	30	20	HKED	
COc1ccc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)ccc2c1	519894937	FKXZWZLSPFDHKM-UHFFFAOYSA-N	401.510	5.088	30	20	HKED	
CC(C)c1ncc(Cl)c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	520111602	DGBISUGNAAILQE-UHFFFAOYSA-N	422.891	5.107	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2cscn2)c1	520924232	PUHUJXSUXXQKEE-HNNXBMFYSA-N	409.536	5.369	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3c(F)cccc3Cl)c2)cc1	521222576	KKMKPEZMZHFNEL-UHFFFAOYSA-N	423.875	5.446	30	20	HKED	
COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NC[C@@H](C)C#N)cc1	521923766	JJRVFYCVMXKXSP-FJSNCCPHSA-N	411.505	5.010	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3ccc(F)c(C#N)c3)s2)cc1	524828751	AFZMSMXSUGRAHM-HNNXBMFYSA-N	408.502	5.663	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1	525508146	JGQFNRJUGBCACI-UHFFFAOYSA-N	421.541	5.116	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)C3(Sc4ccccc4)CCCC3)CC2)cc1	527477425	PEGNXXQUCFUYEN-UHFFFAOYSA-N	406.551	5.033	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)nn1C(F)F	534170782	MMGOEFFNFQSRMD-UHFFFAOYSA-N	415.334	5.215	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CSCC(F)(F)F)cc2Cl)c1	534874878	QXKCCEAVYYQVGF-UHFFFAOYSA-N	414.836	5.025	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)CSc2ccc(C#N)cc2)c1C	535466610	UDCOMXSSORWJCU-UHFFFAOYSA-N	418.518	5.185	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)cc2)cc1	539029859	ZYCCSEFQTSBNJX-RDPSFJRHSA-N	413.477	5.250	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)n1	541103200	FUPWHIJIGDSEPH-SFHVURJKSA-N	409.877	5.140	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1	541178810	KUVTWUHFOUERGE-UHFFFAOYSA-N	406.433	5.173	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2ccc(CC#N)cc2)c1	542360906	NVRGUALREJBIQZ-JWQCQUIFSA-N	411.505	5.524	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)n1Cc1ccncc1	545864225	XEJOJCMZYIMCAF-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)c(F)cc3Cl)s2)cc1	549865179	CYRVXYIUWKHXBH-UHFFFAOYSA-N	406.269	5.304	30	20	HKED	
Cc1c(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)sc2ccc(C#N)cc12	550138880	UQDOFBNZUMSARM-UHFFFAOYSA-N	410.405	5.321	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OC2CCCC2)c1)c1nc(-c2c(F)cccc2F)cs1	553597913	LBBWMZHNOSYNFY-QGZVFWFLSA-N	424.472	5.900	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CCC2	558357199	OVOWSQXEFPXMMA-OAQYLSRUSA-N	418.522	5.657	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cnc1C(F)(F)F	558931576	FZFCWNIUKFZQGW-UHFFFAOYSA-N	424.407	5.501	30	20	HKED	
CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(Cl)c(C(F)(F)F)c1	573721157	IHEROXYODYSBMZ-UHFFFAOYSA-N	405.763	5.162	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21	574560930	WNDNPZSIPNSAGP-KSSFIOAISA-N	418.584	5.029	30	20	HKED	
CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](c1cccnc1)c1csc2ccccc12	578087707	AUVMBLCWQIMADE-HSZRJFAPSA-N	415.493	5.559	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc(C[C@@H](CC#N)c2ccccc2)n1	578556363	WFSYJTYSLGOYQN-CTNGQTDRSA-N	409.917	5.521	30	20	HKED	
Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)sc2cccc(F)c12	580303339	TZBAKLPIMZHYRH-UHFFFAOYSA-N	412.461	5.043	30	20	HKED	
CC1(C)Cc2cc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)sc2-c2ccccc21	588739180	YCYDVQRRUFODKI-QGZVFWFLSA-N	416.550	5.057	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(F)(F)F	589008562	LIXDVSMIOJVIHB-OAHLLOKOSA-N	415.415	5.209	30	20	HKED	
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589364544	FFLBNYJWCNLCQT-UYAOXDASSA-N	412.493	5.231	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC	603457736	FIRZQSADJKRSSE-UHFFFAOYSA-N	418.518	5.429	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2C)cc1	604096750	BRZZGPLRYSCUHQ-XMMPIXPASA-N	417.553	5.048	30	20	HKED	
C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1	608802456	JZGPTCZRBLPAEH-AWEZNQCLSA-N	414.383	5.240	30	20	HKED	
N#CCn1c(C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc2ccccc21	609171395	VDHKBMQODCVTEB-IBGZPJMESA-N	411.427	5.551	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(C)C	609287011	QTIDWODAGIHKRP-KRWDZBQOSA-N	407.297	5.031	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(OC)c(OC)c1	609498991	GFVKQCJEFCXJDS-UHFFFAOYSA-N	416.477	5.229	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1Br	609592684	GBCQEQXXSGJXQG-OAQYLSRUSA-N	421.294	5.023	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C(C)C)cc1OCC	610357110	HRVDPZHOIMNMSR-SBUREZEXSA-N	409.530	5.113	30	20	HKED	
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	610729932	ZEVDSBNIWOXTQM-NRFANRHFSA-N	420.900	5.023	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2c(F)cccc2Cl)cc1Cl	612391591	YZISKEGPCYSZHI-UHFFFAOYSA-N	401.224	6.049	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc2ccccc2n1	613291268	YGEUEJYOTJOFKL-JOCHJYFZSA-N	415.452	6.047	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc1C	613346772	QJVPXBPZPJQAIN-ZDUSSCGKSA-N	407.347	6.285	30	20	HKED	
C[C@H](CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	619694691	CRSMVOPBNPXZMI-RAIGVLPGSA-N	414.365	5.138	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NCc1ccc(C#N)c(Cl)c1	619763785	BGYXSIVPBDLCJL-GFCCVEGCSA-N	416.333	5.210	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1Cl	619828027	JFCRBKCSSSTBIL-IBGZPJMESA-N	413.955	5.192	30	20	HKED	
C=C[C@H](CC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccccc1	673321053	XVMIYVJCRJXDGD-MRXNPFEDSA-N	408.954	5.708	30	20	HKED	
CC(F)(F)CCC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	681106941	QUJRGGSXNMPWJL-CYBMUJFWSA-N	419.312	5.060	30	20	HKED	
CN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccccc1-c1ccccc1	725806512	SSOJPARJPQCLFY-NRFANRHFSA-N	411.530	5.272	30	20	HKED	
CCn1c(NN=C(C)c2ccc(Cl)c(Cl)c2Cl)nc2ccccc2c1=O	725843491	WUVPREWIRJEKMD-UHFFFAOYSA-N	409.704	5.213	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccccc2OCc2cscn2)cc1Cl	726487067	JAZQBHUQYNCCPN-UHFFFAOYSA-N	400.916	5.056	30	20	HKED	
CCc1oc2ccccc2c1C=NOCc1nnc(-c2c(Cl)cccc2Cl)o1	726594509	MJOGUEXROGFMFJ-UHFFFAOYSA-N	416.264	5.903	30	20	HKED	
Cc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1C1CC1	726627261	POVQCFFEYJCWKW-LSCVHKIXSA-N	413.955	5.371	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)o1	726627900	VTPCAGPNYSXGLQ-PNADIRNESA-N	400.912	5.334	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)COc1ccccc1	728120153	VLMXYFPQYGPRRF-IBGZPJMESA-N	415.493	5.035	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)CC3)cc1	728698636	PBOYOXNGFBTGLO-CXDFQFJYSA-N	400.503	5.622	30	20	HKED	
CCC(CC)n1c(COc2ccccc2Cl)nn(CN(C)[C@@H](C)CC#N)c1=S	728904079	KXVILNNTONWTMT-HNNXBMFYSA-N	421.998	5.199	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1csc(C(=O)O)c1	730148704	KAOSJGOSGHCLBW-GORDUTHDSA-N	403.799	5.164	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1c(C)noc1C	730148742	KRJVAQLWVGFCBX-HJWRWDBZSA-N	403.301	5.382	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)n1	730395277	SRHXACJFFNGQNC-LIRRHRJNSA-N	417.317	5.755	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2o1	730689265	CYQSNQGIYJLPSB-KSFYIVLOSA-N	404.372	5.103	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12	730921065	UYNQRGPBJZGQAQ-FHWLQOOXSA-N	406.844	5.083	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccc(OCc2occc2C(=O)O)cc1	730949115	SJIYNUITVJOZTG-FLIBITNWSA-N	401.418	5.243	30	20	HKED	
COc1ccc(N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC(C)C)cc1	731030081	BVXDCMBLSILIKI-SFHVURJKSA-N	411.571	5.048	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	732499075	ILJGDLUOPQSLSI-HIFRSBDPSA-N	414.502	5.693	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1	733806133	HPFHSPSODXIVAY-JTHBVZDNSA-N	409.505	5.237	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1	733845011	ZDJCEZSQRLYOFE-HXUWFJFHSA-N	416.481	5.185	30	20	HKED	
N#CCn1c(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc2ccccc21	733947888	NFECDJIULRLKPO-SFHVURJKSA-N	406.791	5.149	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1	735790797	QBTCDBDKPTYNKW-QFIPXVFZSA-N	409.489	5.178	30	20	HKED	
COc1ccc(C(C)=NNc2cccnn2)cc1CSc1nc2ccccc2s1	735977051	RMZVSYMLJLLTML-UHFFFAOYSA-N	421.551	5.223	30	20	HKED	
Cc1cc(/C=C/C(=O)c2c(Cl)nc3ccccn23)cc(C)c1OCc1ccccn1	737451040	XGLYBNROMVZGGO-MDZDMXLPSA-N	417.896	5.475	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F	742961006	INVOIAGCXTZSOA-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1	743467514	CPXYNCPSFBEOMT-KRWDZBQOSA-N	404.514	5.181	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)ccc1OC(C)C	744443526	LECYVQQHPYQUBZ-HNNXBMFYSA-N	413.449	5.092	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(SC)sc2c1	745260687	FLKMYIDWJVSNNX-UHFFFAOYSA-N	414.512	5.147	30	20	HKED	
COc1cccc(C=Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1O	751524940	YTLNZEMOOIVFCE-UHFFFAOYSA-N	405.841	5.540	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1ccnc(O)c1	752880572	XLXLXWULRPHICO-MDZDMXLPSA-N	401.853	5.189	30	20	HKED	
C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1ccoc1C	753061222	GZSSOGKZYZRBDW-UHFFFAOYSA-N	414.556	5.099	30	20	HKED	
C=CCC(CC=C)C(=O)OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	759006626	HHPCOOWKTRAFOU-UHFFFAOYSA-N	404.919	5.293	30	20	HKED	
C/C(=C\c1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	759183961	NVVMVHPLTLEDSG-YHVDPYDOSA-N	423.925	5.209	30	20	HKED	
C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	759440909	OWTIOVXPYBCXIO-IINYFYTJSA-N	424.831	5.612	30	20	HKED	
Cc1ccc(S[C@@H](C(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2)c(C)c1	760792646	OZPOCZDSODSQFP-HSZRJFAPSA-N	420.509	5.817	30	20	HKED	
Cc1nc([C@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)oc1-c1ccc(Cl)cc1	763870101	KMHXNBQWKBPASI-AWEZNQCLSA-N	423.856	5.074	30	20	HKED	
N#C[C@H](C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)c1nc2ccccc2o1	764755184	DJPRFYRMCHQYRX-VLIAUNLRSA-N	411.864	5.024	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	766032312	CTORKCWEQDVAFU-ACCUITESSA-N	404.378	5.075	30	20	HKED	
CC(C)n1c([C@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)nc2ccccc21	769413464	RFVSXKWZCFLBMV-FPOVZHCZSA-N	402.542	5.288	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C	771525929	HSLJHMRYWWXIDU-UHFFFAOYSA-N	418.541	5.039	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c1	772645688	OKFQZZVFMGMPJT-LJQANCHMSA-N	418.880	5.367	30	20	HKED	
N#C[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl	772658710	KASGFCTXBKLFBT-HUUCEWRRSA-N	418.107	5.105	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	775487137	ILXFBHUHEDONOA-NRFANRHFSA-N	421.953	6.277	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2ccc(C)cc2)ccc1OC	779100083	GKNKZOICFNICMJ-ZEQKJWHPSA-N	400.522	5.564	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1	780176995	OBUABWAIQGGJMK-SFHVURJKSA-N	408.461	5.082	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780497159	URLNIDAQJANLQP-KRWDZBQOSA-N	414.465	5.182	30	20	HKED	
CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2s1	786447040	HUJVTMCPSORCSN-OAHLLOKOSA-N	402.441	5.760	30	20	HKED	
N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nccc2ccccc12	792092954	FNWMHLBCRHOXEF-LJQANCHMSA-N	403.894	5.431	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cccc(CC(C)C)c2)cs1	794723878	NBFQYTPMLSEKDE-JLHYYAGUSA-N	418.562	6.231	30	20	HKED	
COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	796798903	RZJFDUJXCJWYAK-UZLBHIALSA-N	418.518	5.213	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(C(F)(F)F)cc1	798816415	KSJFXHXYAIDXLV-HZMBPMFUSA-N	408.832	5.948	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)C(C)(C)c1cc(F)cc(C#N)c1	803925392	LCNXHFHQYBATEA-HZPDHXFCSA-N	410.489	5.059	30	20	HKED	
C#C[C@@H](NC(=O)Cc1sc(C)nc1-c1cccs1)c1ccc(Cl)cc1F	804422403	ZOMLUXUVDGVEJE-OAHLLOKOSA-N	404.919	5.006	30	20	HKED	
CN1CCC[C@H](CNc2nc(Cl)c(C#N)s2)[C@@H]1c1ccc(C(F)(F)F)cc1	804463789	JBUITXYHGWKTTE-DOMZBBRYSA-N	414.884	5.182	30	20	HKED	
CC(=O)Nc1cc(C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)ccc1F	809125788	AJWSJEYLGRZUET-HNNXBMFYSA-N	423.284	5.263	30	20	HKED	
C[C@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F	811417917	CMJUTXIKSDAMHG-QMMMGPOBSA-N	420.284	5.646	30	20	HKED	
CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	814280902	HPIZMDRWCISVBV-LDADJPATSA-N	413.955	5.096	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1sc2nc(C)nc(C)c2c1C	863966853	RBJVATPBNHCQNQ-UHFFFAOYSA-N	414.749	5.808	30	20	HKED	
C=CCCC[C@H](C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	883978604	RHAGHIYVDFCSIS-NUJGCVRESA-N	421.425	6.152	30	20	HKED	
CC(=O)N(c1nc(C=NNc2ccc3ccccc3n2)cs1)c1ccc(F)cc1F	916286670	NRTVJBGDEFVQCV-UHFFFAOYSA-N	423.448	5.100	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1OC	916627418	SUTIIKNLPUJUHR-GOSISDBHSA-N	405.498	5.031	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	916884195	SIAQGOHANWIYHY-ANOSYLROSA-N	406.841	5.015	30	20	HKED	
C=CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916908705	NPNXTJUCAGGOQO-NRFANRHFSA-N	412.445	5.005	30	20	HKED	
Cc1cc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1C(C)C	916927552	LNOYQPOEHWTBQA-QGZVFWFLSA-N	419.308	5.152	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1	916954813	KUDCRYDQTUYJNT-HRAATJIYSA-N	415.493	5.054	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12	918599510	TUGJNTOGWJZKKJ-HNNXBMFYSA-N	422.326	5.286	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(C)s2)cc1OCC	920181534	UZSUHZVESGNKMT-AWEZNQCLSA-N	410.377	5.633	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3C)cc2)CCC1	1787318308	VZHUFMPGASBEFY-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)c(C)c3)CCC2)cc1	1789452865	BXYQVSQXOJGLGT-QHCPKHFHSA-N	417.553	5.215	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)Oc3ccccc3)cc2)CCC1	1791146512	IJIQKXCREFMLCG-VQTJNVASSA-N	420.553	5.190	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1	1791300791	CRVLTYVCPKGRAK-RTWAWAEBSA-N	424.491	5.136	30	20	HKED	
C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cccc2s1	1797651101	CZEWHJRHSBLOAT-LVQVYYBASA-N	416.974	5.019	30	20	HKED	
C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1	1826424708	UCVNEEZJAIQRDG-GRYUFTJMSA-N	410.602	5.012	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2F)CC1	1829068678	KFZHWDGQGAJGIF-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCCCC#N)c1	9640982	QUSBVSVTZQKQKO-PXLXIMEGSA-N	419.550	5.599	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n1	41516379	AVEGDILLQDLVNL-QGZVFWFLSA-N	403.438	5.403	30	20	HKED	
C[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47570367	ITHNSLWQPAAILG-KRWDZBQOSA-N	417.534	5.544	30	20	HKED	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2cccc(C#N)c2)cs1	58870870	MBMHNJXEROWPGU-UHFFFAOYSA-N	417.412	5.297	30	20	HKED	
CSc1ccc(Cl)c(/C(O)=N/c2nc(-c3ccc(Br)cc3)n[nH]2)c1	63497451	QMCOJVQFAVFDQI-UHFFFAOYSA-N	423.723	5.246	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2c1ccc1ccccc12	303303608	DETIFCPQHPNUGN-HNNXBMFYSA-N	400.503	6.541	30	20	HKED	
COc1cc(/C=C/C(=O)c2c(Cl)nc3sccn23)ccc1OCc1ccccc1	303883538	JIMCSJQHROJQQL-VQHVLOKHSA-N	424.909	5.533	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(OCc2ccccn2)c1	410010683	PFHGBZWBXFEWEQ-OAHLLOKOSA-N	406.873	5.068	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1	429929939	UBTQCUGOHZARDK-UHFFFAOYSA-N	402.479	5.199	30	20	HKED	
CC(C)(C)c1noc(-c2ccccc2C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)n1	430642855	PLWRXBQTURFYAW-HNNXBMFYSA-N	408.527	5.278	30	20	HKED	
COCc1nc2cc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)ccc2o1	430785645	XREXKMSXLFWAGK-UHFFFAOYSA-N	417.396	5.030	30	20	HKED	
Cc1c(NC(=O)N[C@H](CCCC#N)c2ccccc2)cccc1OCC(F)(F)F	432864570	FZFOOQLOIPKRON-GOSISDBHSA-N	405.420	5.493	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1C#N	435540921	FCEJPOCKGGZFAR-QFIPXVFZSA-N	402.498	5.586	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1	435686805	XTDXEIGWGZGULP-UHFFFAOYSA-N	414.465	5.235	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)c2)cc1	437740059	AZAZQBXKHZQOFY-WIOPSUGQSA-N	411.505	5.084	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	438068332	YCSKWXCPVPRMRJ-GOSISDBHSA-N	415.493	5.454	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@H](C#N)c1ccccc1F	439083161	GAUQUVGFZCVDTC-MRXNPFEDSA-N	404.228	5.091	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Nc1ccc(CCC(F)(F)F)cc1	440296143	SELXPSRRFWLRKI-UHFFFAOYSA-N	407.461	5.108	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)nc2ccccc21	442622680	WGQPMJZSSOLUML-MRXNPFEDSA-N	405.379	5.148	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nccn2Cc2ccccc2Cl)c2ccccc21	444220546	ISPVETFZVKKQLL-UHFFFAOYSA-N	417.900	5.096	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(-c2cccs2)c1	446861152	KEYIKBOFEXYFSE-OAHLLOKOSA-N	421.547	5.387	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1csc(C)n1	460563854	WBQXULTVJIBGEX-GOSISDBHSA-N	417.941	5.420	30	20	HKED	
Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccccc3-c3ccccc3C#N)cc2)n1	461593290	BYPJVLLHOOPWNP-FQEVSTJZSA-N	420.516	5.519	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1	462046630	KQDHJEIMLMMLBB-KGLIPLIRSA-N	409.942	5.625	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccc(Oc2ccc(Cl)cn2)cc1	462192743	PQBVRGGZSBXJLY-UHFFFAOYSA-N	424.913	5.194	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464472575	PNQBAHMKWIYRNC-INIZCTEOSA-N	412.415	5.074	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cncc(-c4ccccc4)c3)n2)cc1	467070824	GJYZQTSZRPVBPS-OAQYLSRUSA-N	411.486	5.371	30	20	HKED	
COC[C@H]1CCCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	467161919	PDJNGTVJIHGKOO-UWJYYQICSA-N	411.933	5.276	30	20	HKED	
CCC(CC)(CCO)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	467610863	ORIBWVZADBXEGN-HXUWFJFHSA-N	413.949	5.306	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CNc2ccccc2CCC(F)(F)F)c1C	470542940	ROULMBXHVXOJIX-UHFFFAOYSA-N	403.448	5.157	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CCC(=O)N(CC)CC)CC1	475553068	XMIZHSMOBMKNBK-UHFFFAOYSA-N	413.606	5.431	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OC)n2)nnc1-c1ccc(Cl)cc1	476460314	ODOYUWRTQFNAHT-LBPRGKRZSA-N	406.964	5.241	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Sc4ccc(Cl)cc4)o3)nc12	478615537	MPPUXMJUYFMJDW-CQSZACIVSA-N	408.870	5.154	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C	480830268	SWLJQVHBVAITIG-DNVCBOLYSA-N	417.431	5.854	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OCC)n2)nnc1-c1ccc(C)cc1	481346969	UUGNIEXDRMSZHH-HNNXBMFYSA-N	400.573	5.286	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1cccs1	481403999	SVVZIGDWKIIBSF-LLVKDONJSA-N	422.938	5.104	30	20	HKED	
C=C(C)[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)c(F)c1	481585053	HMMHLVNNJCZTSL-OYHNWAKOSA-N	415.509	5.205	30	20	HKED	
Cc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)n(-c2ccccc2C(F)(F)F)n1	481761129	NAINPEZRALGHEL-UHFFFAOYSA-N	417.284	5.008	30	20	HKED	
C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	485559880	GFPQMTUYNLNNKA-KRWDZBQOSA-N	420.509	5.246	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(SCC)cc1	494663319	GBWVTCKRYZPLLC-GOSISDBHSA-N	400.592	5.425	30	20	HKED	
Cc1cc(NC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)nn1CCC#N	504293258	MECASGVPEXJVTA-FQEVSTJZSA-N	410.930	5.231	30	20	HKED	
CCn1c(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc2c(F)cccc21	505875496	WZFLUBCEIRHURE-KRWDZBQOSA-N	419.344	5.607	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccn(-c2ccc(Br)cc2)n1	506046495	YEOCQONCXFHCAZ-UHFFFAOYSA-N	424.342	5.739	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(c2nccs2)CC1	508502785	CDGZBDNZQQQEMG-UHFFFAOYSA-N	420.369	5.278	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2ccsc2)CC1	508924911	ZIYHAISDWCCCQA-MRXNPFEDSA-N	412.534	5.189	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2nc3ccccc3s2)cc1	510675521	QXZWVBALLYAZJV-UHFFFAOYSA-N	414.490	5.324	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COc2cccc(F)c2)c1	510879346	QGJUNQSRODPOOJ-KRWDZBQOSA-N	420.509	6.051	30	20	HKED	
CCNc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1[N+](=O)[O-]	511575396	MTHCHPFNOCXISG-UHFFFAOYSA-N	416.437	5.251	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21	511874905	GGZSVVNIMMZCOM-LPOZWGFCSA-N	419.594	5.287	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1	513938625	VAXBPXRHIAYVAD-UHFFFAOYSA-N	418.859	5.457	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(CC)no2)nc2scc(-c3ccccc3)c2c1=O	513955592	HILNSWBVTGPWIP-CYBMUJFWSA-N	424.551	5.110	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(CC#N)cc1	514055588	MJELWKFRRWCMHG-UHFFFAOYSA-N	409.898	5.281	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc(-c3ccccc3)nc21	519250311	CLHCBOCZPVFWMD-GOSISDBHSA-N	420.476	5.046	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1Cc1ccccn1	519426443	RCOFGHFLJGNAJW-INIZCTEOSA-N	404.539	5.052	30	20	HKED	
CCC[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)c(Cl)c1	520267791	UIMNOYMYOREJHV-KRWDZBQOSA-N	424.715	5.115	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	521768300	BKODVIYDFSHRCJ-KUHUBIRLSA-N	403.309	5.193	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1	525348070	OUFJSWFEJVWNJM-HZPDHXFCSA-N	406.511	5.619	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(Cl)c1SC(C)C	525584614	OOEVJIRZOLNFLH-UHFFFAOYSA-N	404.967	5.139	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)oc12	527099429	JVQSUESISXGJCC-CYBMUJFWSA-N	403.301	5.574	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)CSc2ccc(C#N)cc2Cl)cc1	533624716	HQORBOABZIETGR-LJQANCHMSA-N	400.931	5.066	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1coc(-c2ccc(C(F)(F)F)cc2)n1	534401393	KJRXLYYUWCQGIJ-AWEZNQCLSA-N	417.456	6.367	30	20	HKED	
COc1ccc(-c2nc(CSCc3cccc(C#N)c3F)cs2)c(OC)c1	540348924	CDRABIRNDSZQQT-UHFFFAOYSA-N	400.500	5.271	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1	540706842	IVEHAHJFYIPYGZ-KRWDZBQOSA-N	405.473	5.524	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(CC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1	542224613	IDGOMPSLDCKNMN-QHCPKHFHSA-N	410.439	5.659	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc([N+](=O)[O-])cc1F	543469524	NAHZUFRWAWSICR-AWEZNQCLSA-N	405.385	5.140	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(Cc2ccccc2)CCCC1	543557867	QOFORSOSUURWDX-IBGZPJMESA-N	407.583	5.164	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1ccc(C#N)cc1OC)c(C)n2C1CCCC1	547418612	BTDYRFICBSXRAM-UHFFFAOYSA-N	403.482	5.206	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	549157645	GYKUFAHZELEWAD-QGZVFWFLSA-N	406.301	5.225	30	20	HKED	
Cc1cc(N2CCSCC2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C	550287251	VFSRVFBWCXTXLN-UHFFFAOYSA-N	407.564	5.195	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1cccnc1	559981310	CVLDIYICTZWCLM-ZDUSSCGKSA-N	412.469	5.124	30	20	HKED	
C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1nc(-c2ccc(Br)cc2)cs1	570322495	BRYRWTXBYNIGIH-YJYMSZOUSA-N	424.367	5.782	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1	571337044	KMURGYHUTHDPQA-INIZCTEOSA-N	402.504	5.127	30	20	HKED	
C[C@@]1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)OCCc2sccc21	583292482	LWLWGJQHWUROCK-QHCPKHFHSA-N	419.506	5.022	30	20	HKED	
CO[C@@H](c1ccc(Br)cc1)c1noc(-c2ccc(C(C)(C)C#N)cc2)n1	589140829	LHKFDWOBGGYHBG-KRWDZBQOSA-N	412.287	5.036	30	20	HKED	
C=C(C)COc1cccc(N[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)c1	589633380	SEDIDUYQWGLFSR-RUZDIDTESA-N	416.521	5.832	30	20	HKED	
Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1Oc1ncccc1Br	600852799	PYPNRYSUTIAINY-HNNXBMFYSA-N	408.299	5.990	30	20	HKED	
Cc1sc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c(C#N)c1C	603445224	XPAWWEWYYKOKAP-UHFFFAOYSA-N	410.499	5.337	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)NC1(c2ccccc2F)CC1	605955488	GYDUYPCJXMMIKR-QWRGUYRKSA-N	412.349	5.024	30	20	HKED	
CCSc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cn1	609104920	QPWFHQLHWLETJK-UHFFFAOYSA-N	407.470	5.036	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCc2ccc(F)cc21	609322904	SPDCWPSHCMRHOE-DEOSSOPVSA-N	415.468	5.394	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(F)c(F)c1F	609378511	QVBIWBWLOXZNAS-UHFFFAOYSA-N	422.325	5.520	30	20	HKED	
Cc1sc(CNc2nc(C(F)(F)F)ccc2C#N)nc1-c1ccc(Cl)cc1	609669911	MOHNKPFHUIFCPO-UHFFFAOYSA-N	408.836	5.670	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(Cc2ccccc2F)n1	609786545	QQJBISXQHJETRH-AWEZNQCLSA-N	411.527	5.377	30	20	HKED	
CN1CCC[C@H](CNc2ccc(Cl)c(C#N)n2)[C@@H]1c1ccc(C(F)(F)F)cc1	609797666	KFLXCSVHLDFJNL-KUHUBIRLSA-N	408.855	5.120	30	20	HKED	
C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610015364	GEYYFHCWRGANAA-HNNXBMFYSA-N	402.429	5.036	30	20	HKED	
CCOC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	610019468	QRTMMCJPDUAHKB-UHFFFAOYSA-N	415.449	5.100	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	610240334	QAESANRNIZRUPX-BONVTDFDSA-N	401.215	5.497	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc(Cl)c1OCC(C)C	613290834	NTCZDXMNKRWDDZ-QGZVFWFLSA-N	408.885	5.422	30	20	HKED	
CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nc2ccccc21	619674795	LNQCGDVQXPKBEB-UHFFFAOYSA-N	412.946	5.057	30	20	HKED	
CC(C)Cc1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1	621677784	SPYXLTQSDKQVCF-LLVKDONJSA-N	409.458	5.460	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1	623022441	NZGVTLBQVLHGQI-PHIMTYICSA-N	416.337	5.208	30	20	HKED	
O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1C(F)(F)F	676222210	FUXWRLIZJHOIDW-UHFFFAOYSA-N	408.298	5.725	30	20	HKED	
C[C@H](NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1nc2ccccc2n1C(F)F	683186459	XNIFWIYTIJAKFE-QMMMGPOBSA-N	419.300	5.219	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)cc1Cl	726626594	ILMOUKMKWPORPS-CHHVJCJISA-N	422.865	5.219	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(\C)c3ccccc3Cl)n2)cc1	727633129	VYROYEZJCVYOSR-GPZRYRNASA-N	408.910	5.752	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728063039	UFIZWOFLUYMRAU-KRWDZBQOSA-N	419.912	5.538	30	20	HKED	
CC(C)[C@@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	728765099	ZNOZHNVRHDVRFC-QZTJIDSGSA-N	419.550	5.282	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2o1	730072621	YZWAUSHSJJOLDO-ZHRRBRCNSA-N	420.440	5.816	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Br)cc1F)c1nc2cc(F)ccc2s1	730422067	SSSKDTGWCIAARQ-CYBMUJFWSA-N	421.266	5.146	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	733801025	QSHUGPSZTQZDLO-KRWDZBQOSA-N	415.320	6.224	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=S)Nc1ccc(OC(F)F)c(Cl)c1	735624288	UQKCJLGZTVPWRU-UHFFFAOYSA-N	407.873	5.198	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	739156507	YRRKOZXGGMOSGD-AUUYWEPGSA-N	416.493	5.405	30	20	HKED	
Cc1ncsc1/C=C1/CCc2nc(-c3ccccc3Br)sc2C1=O	742433942	DADNSMRZZRRFGE-FLIBITNWSA-N	417.353	5.550	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1	742648881	FNYCAXOOUYTKFZ-UHFFFAOYSA-N	423.416	5.055	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)N(Cc1ccccc1O)C1CCCCC1	745323900	XECZPLLVGXKHRF-UHFFFAOYSA-N	423.582	5.042	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCCOc2cccc(Br)c2)n1	747196982	SKLYYBRCBVSRDR-HNNXBMFYSA-N	407.333	5.064	30	20	HKED	
CC[C@H](C)c1ccc(-c2cc(C(=O)Nc3cnn(CC#N)c3)c3ccccc3n2)cc1	747438652	KSVZDWBBYVSKJK-KRWDZBQOSA-N	409.493	5.388	30	20	HKED	
N#Cc1csc(/C=C2/CN(c3ccccc3)C/C(=C\c3cc(C#N)cs3)C2=O)c1	748441038	UXPUXKDXVQHCCI-NCEWWTOFSA-N	413.527	5.109	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	752279422	JZNJOIXYBVGGOJ-OXQOHEQNSA-N	422.575	5.154	30	20	HKED	
CC(C)(CCC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	754526671	KPPYJCGJRJNSJE-QGZVFWFLSA-N	419.550	5.210	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cccc(OC(C)(C)C)n3)n2)cc1	758510282	RFTJGSBMBWGBKX-IBGZPJMESA-N	419.550	5.500	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759217550	SJKLJWJDWFTHDE-YFCVBGDOSA-N	400.290	5.402	30	20	HKED	
C=C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	759220267	CZDCOBDVXZRAFF-CZUORRHYSA-N	400.425	5.851	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1	760138673	GLEIMFOJVBWAQV-INIZCTEOSA-N	406.913	5.028	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)Nc3ccc(F)cc3OCC#N)sc2c1	760792096	IKOJOYOJUDHJRR-UHFFFAOYSA-N	402.878	5.972	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1	760801299	OGMAHUDZMSHUJB-QFIPXVFZSA-N	424.859	5.449	30	20	HKED	
Cc1sc2ncn(N=Cc3nc4ccc(F)cc4s3)c(=O)c2c1-c1ccccc1	761748333	FGFSITRSMGNXSP-UHFFFAOYSA-N	420.494	5.064	30	20	HKED	
O=C(/C=C\c1ccc(Cl)s1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764753866	ZWZVSQPVHBVYHK-RQOWECAXSA-N	402.690	5.129	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1cccc(OCc2ccccc2)c1	765240971	FVDUOKDRPNUYLT-GOSISDBHSA-N	401.466	5.051	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OCc2cccnc2)c1	766483278	GDIVYMXOUWFRTH-RMKNXTFCSA-N	424.840	5.127	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1	773090194	DDPFCBUNQUDKJP-KKSFZXQISA-N	418.459	6.020	30	20	HKED	
N#CCCCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c2ccccc21	774052226	LTICXVZEFKZWLQ-OAQYLSRUSA-N	420.472	5.059	30	20	HKED	
Cc1ccc(SC2CCCC2)c(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1	776711159	HFDSIPLHIAVMIW-QFIPXVFZSA-N	406.551	5.115	30	20	HKED	
N#C[C@H](NC(=O)c1c(C(F)(F)F)ccnc1Cl)c1ccc(Cl)c(Cl)c1	776880443	AIOZGWZIIXSXKZ-NSHDSACASA-N	408.594	5.055	30	20	HKED	
CC(=O)N1C/C(=C\c2cccc(OCc3ccc(F)cc3)c2)C(=O)c2ccccc2C1	778520199	PTBQZEDTQKWVNE-LPYMAVHISA-N	415.464	5.033	30	20	HKED	
CC(=O)N1C/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)c2ccccc2C1	778520397	VWOINTUOKKPBBE-XKZIYDEJSA-N	415.464	5.033	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	780169605	MNZDOROHPVUTNB-QGZVFWFLSA-N	413.481	5.711	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1	787045259	IPDISHSPUGVYAX-ROUUACIJSA-N	423.925	5.053	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	791142897	TWFOFILMAMGXGZ-UHFFFAOYSA-N	408.841	5.361	30	20	HKED	
CN(Cc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1)C(=O)OC(C)(C)C	793038147	PZHACWRJSDGJRH-UHFFFAOYSA-N	407.514	5.107	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(C(F)F)cc2)c1	794484576	VEHUGKVELKABDM-UHFFFAOYSA-N	416.497	5.397	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1	794899773	WAZOBFVAYARRQY-CYBMUJFWSA-N	400.301	5.085	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CCOCC1	800164920	JTXDRVMRKRAJGA-UHFFFAOYSA-N	401.409	5.014	30	20	HKED	
Cc1cc(-c2cc(C(=O)OC[C@H]3CC[C@@H](C#N)CC3)c3cnn(C(C)C)c3n2)c(C)o1	809085646	HVJQYAZQUOGDRR-HDICACEKSA-N	420.513	5.376	30	20	HKED	
N#C[C@@H](C(=O)CSCc1c(F)cccc1F)c1nc(-c2ccccc2)cs1	809987971	SRVNTAQMDAYHEJ-AWEZNQCLSA-N	400.475	5.198	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](NCc1ccc(C#N)cc1Cl)c1ccccc1	810134051	PLSINXICEZTXOG-NRFANRHFSA-N	413.949	5.347	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)c(Cl)c3)cc2)ccn1	811707635	GDMFOSQVOMJHOL-UHFFFAOYSA-N	415.305	5.861	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	817320125	YDXGPWRWMSYIHS-LJQANCHMSA-N	412.415	5.056	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccsc3C(F)(F)F)no2)c2ccccc21	904923934	GYZKNRPHSSACSN-UHFFFAOYSA-N	402.401	5.742	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cccc2c1=O	915105286	ZCIVLDKJNYADJT-LJQANCHMSA-N	420.424	5.400	30	20	HKED	
CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccccc2Cl)s1	915111205	BMRIHNYGKQEBBJ-UHFFFAOYSA-N	404.944	5.308	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1	915352286	JGOSPGNDZXKWCR-UIOOFZCWSA-N	424.548	5.301	30	20	HKED	
O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1ccc(F)c(F)c1	916127520	CLHSAPCSKIXVFK-DAFODLJHSA-N	418.031	5.092	30	20	HKED	
FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2cccc(Cl)c2Cl)cc1	916333362	KJROWDKCHPRTAK-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4cccc(OC)c4)c23)cc1	916357376	NMOJNVWPQXLDNE-UHFFFAOYSA-N	404.495	5.212	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1	916976953	YDXUCIFKBBWLHY-OAHLLOKOSA-N	416.930	5.961	30	20	HKED	
CCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)s1	917559010	CPYCCRKRDMYSBB-UXBLZVDNSA-N	416.955	6.001	30	20	HKED	
C=C(C)CN(CC)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12	919995250	YDWHPBKPCOSLAP-UHFFFAOYSA-N	410.315	5.098	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2)cc1	920105686	CRPYCLIOGPTCGX-JOCHJYFZSA-N	408.457	5.261	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ccc(Cl)cc3)n2)cc1	920139522	UCRBZFZVDKVANP-LJQANCHMSA-N	410.926	5.671	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1	1821922759	ACKUSKUZAHNCPI-XLIONFOSSA-N	414.594	5.221	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1	7203686	LREFFQDWJVKOHL-KRWDZBQOSA-N	407.930	5.182	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nc2ccccc2c1=O	8282439	STDXRQZDZONASQ-SJORKVTESA-N	421.566	5.215	30	20	HKED	
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCCCC#N)cc1Cl	8953089	KWRVWOHVFAHIEN-FOWTUZBSSA-N	417.943	5.191	30	20	HKED	
C=C(C)COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC	60791893	BRIOURXHWYPSPH-UNOMPAQXSA-N	403.569	5.184	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(C)cc3)s2)ccc1OC	236896223	HRQOGCCYSJLBQW-HXUWFJFHSA-N	406.551	5.703	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2cccc(C)c2)n1	248120812	XOHXFNWUCRZETE-UHFFFAOYSA-N	402.972	5.591	30	20	HKED	
N/C(=N/OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Oc2ccccc2)nc1	303017417	KXZFTYPXMMKULV-UHFFFAOYSA-N	420.856	5.019	30	20	HKED	
CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccs1	303604306	VMKLBTDZSCGRGX-UHFFFAOYSA-N	419.550	5.492	30	20	HKED	
CCC(CC)n1nccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	431921039	ASKOQQSMDPBXIL-UHFFFAOYSA-N	410.465	5.521	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(C)(C#N)CC1	432317055	DQDBDSDHBSMHAE-UHFFFAOYSA-N	406.313	5.367	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F	432860566	SWQAARBVDWPUTD-PIGZYNQJSA-N	411.424	5.344	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1	434150214	KHDXQAIMXCFKGM-QGZVFWFLSA-N	417.431	5.138	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(COc2ccccc2Cl)n1C1CC1	436123795	LPJFVOQCBIJFPB-UHFFFAOYSA-N	404.967	5.658	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2c2ccccc2C)cnn1-c1cccc(C#N)c1	439663811	MMOIWGYPNRQIPQ-HSZRJFAPSA-N	413.525	5.374	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](C)Cc1c(C)noc1C)c1ccc(C(F)(F)F)cc1	440841343	IEQIXEZZBLTKNZ-ORAYPTAESA-N	409.452	5.248	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)S[C@H](C)c2cccc(C#N)c2)c(Br)c1	443158982	QVXWVUXJHAZQHY-ZIAGYGMSSA-N	403.345	5.451	30	20	HKED	
CCOc1c(F)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	443901535	YUYSASZGMLGFBK-UHFFFAOYSA-N	412.408	5.501	30	20	HKED	
Cc1cc(F)cc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	446858009	PUAVEGAVWLTGKX-HXUWFJFHSA-N	421.859	5.020	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2Cc2cccs2)cc1	461317057	IBTOTKTZHPWOKL-LJQANCHMSA-N	417.563	5.330	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(Cc3cc(C(F)(F)F)ccn3)no2)c2ccccc21	463123189	IEUPTUIIKWUTMT-VOTSOKGWSA-N	423.398	5.113	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)c1	464044521	MVDZSHUDMZAWCK-OAQYLSRUSA-N	412.436	5.125	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1C(C)C	464403341	BEIPNXVQWQPZOV-MRXNPFEDSA-N	412.415	5.208	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)s1	470559531	PSPGFFSYJXZTRD-HXUWFJFHSA-N	422.554	5.009	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)sc21	471147720	GWNURPDGILYGIU-UHFFFAOYSA-N	424.432	5.489	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)c1	471913907	ZYQKBXMSNNWYSF-RXVVDRJESA-N	422.912	5.368	30	20	HKED	
Cc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	473520303	ISDVKOZTBVKGMD-HNNXBMFYSA-N	420.444	5.073	30	20	HKED	
N#CC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)CC1	475390220	KDMJQIZZLCCKOF-UHFFFAOYSA-N	409.700	5.815	30	20	HKED	
CCN(C(=O)c1cccc(CC#N)c1)[C@@H](c1cccnc1)c1csc2ccccc12	480969327	WELULNGEJBFQOC-DEOSSOPVSA-N	411.530	5.614	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1	481116668	WLMSBGUXGWHRMV-FQEVSTJZSA-N	418.537	5.080	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1	481865352	IYLCJXOIOAJDNU-OAQYLSRUSA-N	420.578	5.462	30	20	HKED	
CC(C)(C#N)CNC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	482423250	PSAOKNRKWNEGOD-UHFFFAOYSA-N	400.891	5.413	30	20	HKED	
N#CCC[C@@H](NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1	483198486	MTNZRHOZRZWRTM-GOSISDBHSA-N	416.506	5.401	30	20	HKED	
Cc1ccc(C)c(-n2cnc3cc(C(=O)[C@H](C#N)c4cnc5ccccc5n4)ccc32)c1	483200243	PTVCEGHMGKFZSA-LJQANCHMSA-N	417.472	5.076	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2)no1	483201289	QDWDULXTPZHIHA-HXUWFJFHSA-N	410.477	5.363	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	483331564	SGWUXJXMILUSAZ-KRWDZBQOSA-N	401.466	5.151	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccccc3Nc3c(F)cccc3F)o2)c1	486154436	ZUACVOGRAFKFOB-UHFFFAOYSA-N	403.392	5.242	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1ccccc1	488320759	YFJQWOFPRUKDFJ-OAQYLSRUSA-N	413.525	5.012	30	20	HKED	
N#Cc1ccc(NC(=O)CSc2nnc(-c3cccc4ccccc34)o2)cc1Cl	488857303	QCCVDRQIBHNURA-UHFFFAOYSA-N	420.881	5.146	30	20	HKED	
COc1cc(C(=O)N(C)Cc2cccc(C#N)c2)ccc1OCc1ccccc1Cl	498484151	ABYPWZPUADNLIS-UHFFFAOYSA-N	420.896	5.071	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)[C@H]1CCC[C@H](C)C1	499310439	GCCNFNSWWVELOS-RGIAPHJHSA-N	419.569	5.201	30	20	HKED	
Cc1c(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1CC(C)C	499607540	PVUFLPHQJNHUEF-UHFFFAOYSA-N	417.513	5.137	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@H]1c1cc[nH]n1)c1ccc(C(F)(F)F)cc1	500105599	MRJCDJFLZJUPAO-MJGOQNOKSA-N	406.452	5.373	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	502102291	WVYKEFZIIOGNEA-UHFFFAOYSA-N	424.316	5.078	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	502690183	KLDZRRIKJQFMTH-AWEZNQCLSA-N	409.374	5.328	30	20	HKED	
COCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	506361992	GTXGEPIBQAXGFS-PZJWPPBQSA-N	423.900	5.488	30	20	HKED	
COc1ccccc1CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510004996	ITIRBYXVQQAKMK-OAQYLSRUSA-N	419.912	5.668	30	20	HKED	
Cc1ccsc1CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510023662	ODHOBINRTLKCFB-IBGZPJMESA-N	409.942	6.029	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](CCC#N)c1ccccc1	512044558	GCXPXCMAJSZJNA-KBXCAEBGSA-N	423.866	5.711	30	20	HKED	
N#Cc1ccc(OC2CCN(Cc3coc(-c4cccc(Cl)c4)n3)CC2)c(F)c1	512833347	MVZXMTXYCZLADN-UHFFFAOYSA-N	411.864	5.049	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)c(C)c1Cl	513676580	HKPQZHGYCCVEMH-INIZCTEOSA-N	406.898	5.242	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	518038876	SSUGPYWFKYBMTB-UHFFFAOYSA-N	420.440	5.539	30	20	HKED	
N#C[C@H](C(=O)c1cnc(C2CC2)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1	519251493	LVWPGRZJIFRHKF-GFCCVEGCSA-N	420.346	5.941	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2s1	519433969	JGXMOHFLPQDHDD-UHFFFAOYSA-N	406.454	6.178	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	520196070	WSPVHWALPZUOSM-GCJKJVERSA-N	423.582	6.239	30	20	HKED	
CCn1ncc2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc21	520706272	ZSKVGHBXYQJUDR-UHFFFAOYSA-N	400.413	5.112	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1Cl	521769747	UDGXWUASJREXHH-OAHLLOKOSA-N	417.214	5.206	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1	524235163	ORACSRQYCVKTQI-UHFFFAOYSA-N	420.519	5.355	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Cl)cc3-n3cccc3)CC2)c1	524831745	ZPELTCRRRWOFGF-UHFFFAOYSA-N	420.900	5.078	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)n1	525327185	CMSJXFOTJNLTBO-QGZVFWFLSA-N	402.504	5.127	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)cc1Br)c1cc(F)c(F)c(F)c1F	538566629	VFYLLRGLVJSQPD-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c(C#N)s1	539174426	RPTSBRRFZMVDAU-UHFFFAOYSA-N	412.490	5.068	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCCOc3c(Cl)cccc32)c1	539440617	LMRLBWJWNCFRDR-FQEVSTJZSA-N	422.868	5.027	30	20	HKED	
COc1ccc(-c2cnc(CCC(=O)Nc3cc(C(C)(C)C)sc3C#N)o2)cc1	540272519	MXRQRWIKCFLTTI-UHFFFAOYSA-N	409.511	5.152	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1	540433606	GYMAAKJEJJDUGL-GOSISDBHSA-N	403.551	5.316	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCC2	540473985	DUTKGQGMCAFNGI-UHFFFAOYSA-N	413.321	5.122	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1[C@H](C)C1CC1	540735227	BJJRJRIGOTXXIG-IERDGZPVSA-N	418.928	5.724	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	542034481	GTPKCOWWPYWWSY-GOSISDBHSA-N	406.489	5.334	30	20	HKED	
C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	542062090	MVICECSBSHHZPK-NRFANRHFSA-N	423.560	5.315	30	20	HKED	
CO[C@H](C)c1nc(Cc2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)cs1	545822175	IEEVXPXIYQTUBW-CQSZACIVSA-N	418.478	5.155	30	20	HKED	
Cc1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)sc1-c1cccc(Cl)c1	548841006	KTYDFXPFOJEHGL-UHFFFAOYSA-N	421.953	5.470	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1	549407372	DJIFTWBSORLPRD-UHFFFAOYSA-N	417.484	5.050	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)sc2ccc(C#N)cc12	552427323	WFZCAXDRCIMMGF-UHFFFAOYSA-N	410.458	5.393	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1	554047699	PYHPFINUGDOHFQ-UHFFFAOYSA-N	406.482	5.483	30	20	HKED	
Cc1cc(Cl)c2ncc(C#N)c(N3CCC(n4ccc(C(F)(F)F)n4)CC3)c2c1	554932822	KTCSPWFMWRUQBP-UHFFFAOYSA-N	419.838	5.125	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	557554209	PSNFYQCMOKRYBB-SJORKVTESA-N	407.539	5.459	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)c(F)c1	560767748	AXLQFAYHLBNJLN-DHIUTWEWSA-N	414.480	5.024	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nc2ccccc2[nH]1	561206592	UVXALEHAPVSCLF-MGPUTAFESA-N	407.543	5.333	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1	563900711	KJYRAAAYWCGISY-UHFFFAOYSA-N	422.373	5.052	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	576867454	ONLGUDUAFDZMPH-KRWDZBQOSA-N	416.481	5.415	30	20	HKED	
COc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1O	603807808	UXCHEJOWCRNLDY-IBGZPJMESA-N	421.884	5.031	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1	603971099	NKWFDFPGZDXCMO-UHFFFAOYSA-N	404.441	5.340	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)cs1	603972122	XTEFBRWDMIEXBW-UHFFFAOYSA-N	423.563	5.679	30	20	HKED	
COCc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604089820	MGUDNEWRIDKCCN-UHFFFAOYSA-N	421.884	5.472	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)no3)cn2)c1	604528414	COPAVHUAZHFKLD-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1	606763403	XSJHZBGHEDVWGT-UHFFFAOYSA-N	412.795	5.134	30	20	HKED	
Cc1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1	609062008	QXGLQVWAFZFZAU-UHFFFAOYSA-N	400.478	5.080	30	20	HKED	
COc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc(Cl)c1OCC(C)C	609068483	UPSVZZUMUBWZFP-UHFFFAOYSA-N	424.831	5.109	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1OCC1CC1	609381761	XOLSBLUPADWYJM-UHFFFAOYSA-N	420.456	5.752	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCC(F)F)c1	609438919	OIUMVUMBYGXAGL-CQSZACIVSA-N	405.470	5.046	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCC3(c4ccc(F)cc4)CCCC3)cc2)nc1	609504141	RHZKKFBGWHNKOA-UHFFFAOYSA-N	415.468	5.126	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3cccnc3)c2)cc1	609644086	SVKJHPIMUSBTJG-SANMLTNESA-N	419.484	5.052	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CSc2ccc3ccccc3c2)c1C	610053587	MIBDLDKZRUHJQF-UHFFFAOYSA-N	412.518	5.245	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	610152974	GEERUZUBJCDOQI-UHFFFAOYSA-N	424.504	5.339	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCC(OC(C)C)CC1	611042219	MCPZDWWQLLPAGG-UHFFFAOYSA-N	407.514	5.517	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(Cl)ccc2o1)c1nc(-c2ccc(Cl)cc2)cs1	613320049	QWHSPPXXBFIZGR-HNNXBMFYSA-N	413.285	6.353	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346172	FXSYCDYDCNLSMJ-CQSZACIVSA-N	407.709	6.260	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3cc4ccccc4o3)cn2)c1	614805053	KIBIYFRWSNGIIR-UHFFFAOYSA-N	421.416	5.134	30	20	HKED	
COc1ccc2c(NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)ncnc2c1F	619621504	GNWHWAMJROFDTG-IUCAKERBSA-N	411.321	5.099	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2cccc(OCC)c2)cc1OC	621056086	IBZUFSYJYNNUAG-OAHLLOKOSA-N	420.347	5.272	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccn1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683409085	FSSKNWUSCYDUCH-RKDXNWHRSA-N	423.279	5.131	30	20	HKED	
COc1cc(C=Nn2cnc3ccccc32)ccc1OCCOc1ccccc1Cl	725849238	BMONHSKKWLSEQC-UHFFFAOYSA-N	421.884	5.038	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(N3CCCCCC3)cc2)c1	726523307	OJROWOIVQADQRW-UHFFFAOYSA-N	415.493	5.363	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc2cccc(C)c2c1Cl	726754415	GRJGYQSTASIDHV-UHFFFAOYSA-N	405.910	5.612	30	20	HKED	
Cc1cccc(C)c1N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S	726801002	CJFGXULWNAGIMP-RGEXLXHISA-N	408.548	5.392	30	20	HKED	
CC(C)Oc1ccc(NC(=S)NN=C2CCC(C#N)(c3ccccc3)CC2)cc1	727258043	PZVWIXMNNOIGGE-UHFFFAOYSA-N	406.555	5.152	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1	727629268	QDCRPRAFHHPVDM-OAHLLOKOSA-N	419.893	5.459	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(Cc3ccccc3)CC2)c1	728248203	OKSPMOLQTBKZQW-UHFFFAOYSA-N	408.545	5.113	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	730417114	KWKLOCPRLLTZKY-MRXNPFEDSA-N	421.522	5.595	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSC1=Nc2ccccc2CS1	730950958	DQNJFLBWLLLRIB-CQSZACIVSA-N	413.593	5.545	30	20	HKED	
CC(=NOCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cc2ccccc2o1	731029795	HSGWOTMBIURWMA-HNNXBMFYSA-N	407.495	5.206	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Cl	731064529	YTUWVTGQHMEIPU-GFCCVEGCSA-N	423.321	5.183	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2F)n1	732633556	LWVPWGYTLUBHKM-QHCPKHFHSA-N	424.479	5.536	30	20	HKED	
N#CCOc1ccc(COC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1	733470905	MRAGKHCVBWPTNG-JOCHJYFZSA-N	407.853	5.106	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2cscn2)c1	733770376	HQVLJJSPKCOHAI-SFHVURJKSA-N	423.563	5.046	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1	740763643	FGIOHDNLVWLQCZ-VAWYXSNFSA-N	407.901	5.056	30	20	HKED	
COCCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(C#N)cc1	741739274	YMBAJQFABNOROF-UHFFFAOYSA-N	407.473	5.067	30	20	HKED	
CCCCNC(=O)c1ccc(Cl)cc1OCc1cc(Cl)ccc1OCC#N	742365121	LFQDGORKSXUCEA-UHFFFAOYSA-N	407.297	5.005	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(-n2cccn2)cc1	743095829	MPTRVPOOCYHBJT-DFBJGRDBSA-N	421.504	5.410	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(-c2cscn2)c1	744031178	SFEZZIIVSALUIS-CQSZACIVSA-N	416.289	5.078	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3SCCc4ccccc43)n2)cc1	744062130	QEBPPKRFZKTEDK-RXVVDRJESA-N	406.532	5.026	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(c4ccccc4)CC3)n2)cc1	744063040	XDJUMOGOJMIPND-KITAHSCOSA-N	411.530	5.832	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCSc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	744075205	SDGHCEWVROJFIL-UONOGXRCSA-N	412.486	5.544	30	20	HKED	
Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(Sc2ccccc2C#N)cc1	748235917	QBFQHLZEGIYCJT-UHFFFAOYSA-N	416.502	5.122	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1	748587970	GBIGZLCXJKVEEW-QFIPXVFZSA-N	416.550	5.477	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1)c1ccccc1	749221141	HOBKNNFEBGPMED-VXKWHMMOSA-N	419.550	5.038	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cc(Br)cc(Cl)c2O)c1	756710653	ZZJFWPOJJVKJBB-DOMZBBRYSA-N	423.738	5.340	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1nc(Cl)cs1)C(=O)c1ccccc1	759077068	WGOOVHOKRBUVPH-QGOAFFKASA-N	424.953	5.826	30	20	HKED	
O=C(/C=C\c1ccc(F)c(Cl)c1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1	761481220	WMROGVDBHMEKIE-YWEYNIOJSA-N	423.239	5.067	30	20	HKED	
N#C[C@H](C(=O)C1=Cc2cc(F)ccc2OC1)c1nc(-c2ccc(Cl)cc2)cs1	762024268	CXDGVDJROQOOEC-QGZVFWFLSA-N	410.857	5.255	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)ccc1Oc1ccccc1	766933498	VNAMNRDDWVUFHM-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	772548233	ZCYXYODAZJPEOB-JWQCQUIFSA-N	423.516	5.104	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccccc3F)nc2C)c1	772985440	RQAXCIAKYKGELV-MAUKXSAKSA-N	409.530	5.789	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(SC(C)(C)C)c3)n2)cc1	779194177	KNKZYGJFVPCPKU-KRWDZBQOSA-N	423.563	5.594	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1c(Cl)cnn1C	780187404	RFFCIQBZKDYFJT-BQYQJAHWSA-N	422.735	5.164	30	20	HKED	
CC[C@@H](C#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1	780329337	OKEPCKYYZMZZRH-HNNXBMFYSA-N	423.592	5.564	30	20	HKED	
Cc1ccc2cc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)ccc2n1	783512002	QLXRMERUXPYAMG-UHFFFAOYSA-N	410.502	5.172	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	786148678	CLKVHPVPXDJTPN-KRWDZBQOSA-N	418.419	5.152	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797568316	PXZLTPDNXVQPHQ-OAHLLOKOSA-N	412.946	5.137	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=S)Nc2ccccc2Oc2ccccc2)CC1	799900270	NGBPHNYSAICVNC-UHFFFAOYSA-N	414.534	5.128	30	20	HKED	
N#CC1(CCCOC(=O)c2cccnc2SCC2CCCCC2)CCOCC1	800168325	HDGPZVSYJULODR-UHFFFAOYSA-N	402.560	5.011	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(Br)c1	813066748	HBCAAFFTPRCJLN-HZMBPMFUSA-N	403.276	5.178	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1sc2ccc(C#N)cc2c1C	815871360	KANZJJJGUSGRKP-UHFFFAOYSA-N	421.522	5.989	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)CC(=O)c2cccc(Br)c2)n1	821626086	DCJPIRMGSBNNGS-DOMZBBRYSA-N	419.344	5.114	30	20	HKED	
Fc1ccc(NN=Cc2ccccc2OCc2cccnc2)c(Br)c1	915960195	UJJCXKGHLZFVPY-UHFFFAOYSA-N	400.251	5.008	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	916708239	PCJMUZVIWVDWKC-RUZDIDTESA-N	418.585	5.318	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(-n2cccc2)c1	916909270	PHCAFCARHRPGRA-QFIPXVFZSA-N	421.456	5.231	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1	916924908	GQDXSAXJTIPIPY-OAHLLOKOSA-N	419.308	5.062	30	20	HKED	
Cc1cccc(OCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C	916976429	OFORFPXLKDTYHH-GOSISDBHSA-N	410.926	5.726	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CC1(Cl)Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996746	PLWTWHIRVYMEMK-UWVGGRQHSA-N	406.121	5.487	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3ccc(C)cc3C2=O)cs1	917564115	XADKIXJVCDFJQU-QGOAFFKASA-N	418.518	5.493	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]3(F)Cl)CCC2)cc1	1789625712	QVPQJSAGLHCBBH-JTSKRJEESA-N	406.929	5.037	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)[nH]n1	1821918047	FXARQLNLGHUXAQ-AVCGJXAMSA-N	422.573	5.054	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1	1831376842	WWAIGWLWBIUAJF-WIYYLYMNSA-N	416.993	5.094	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1ccccc1C#N	7163916	RITRJWPCBBLHPW-CQSZACIVSA-N	406.511	5.025	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2OC)cc1	10118285	UOTKRSZEOIOLIW-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1CC(F)(F)F	51533939	HNMGWRJXZWNBRA-MRXNPFEDSA-N	403.429	5.281	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)o1	54030354	UUIGYSOABLGNCT-UHFFFAOYSA-N	416.452	5.189	30	20	HKED	
CSc1ncc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	56470058	WVCJWMCAYRGDKV-UHFFFAOYSA-N	410.886	5.077	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(CCc1ccccc1)Cc1ccc(C)s1	64743357	KBFUZRLTXVCRGH-UHFFFAOYSA-N	405.523	5.214	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	64896776	YCDUCSHIQAINOB-UHFFFAOYSA-N	419.915	5.262	30	20	HKED	
Cc1ccc(NC(=O)C2CC2)cc1NCc1cccc(OCc2cccc(C#N)c2)c1	237594319	GPZJJYKDHSJFAV-UHFFFAOYSA-N	411.505	5.406	30	20	HKED	
C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	302876769	DDSZFBBKZAVPDV-UHFFFAOYSA-N	402.441	5.591	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1	303532320	WWYPJSOWTOGAEH-HNNXBMFYSA-N	421.349	5.056	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	409540981	LYNOALJTVHGMNM-JTHBVZDNSA-N	414.461	5.110	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cs1	430330231	ISTVCBJOYRXLBY-JOCHJYFZSA-N	402.523	5.037	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1noc(-c2ccc(Cl)cc2)n1	431083380	YRRAAXXCCYHNSB-CYBMUJFWSA-N	409.877	5.074	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC[C@@H]3c3ccc(Br)c(F)c3)cc2)CC1	431141919	UJRIQWBZSKFERF-LJQANCHMSA-N	413.290	5.121	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1	431872063	YKLCHLBTJSDAFD-OXJNMPFZSA-N	419.447	5.423	30	20	HKED	
COCc1c(Br)cccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	432851831	OZOVKCKUSCJAQS-SFHVURJKSA-N	416.319	5.152	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@H](C#N)c1nc2ccccc2o1	435773410	VDYJLHROOBTVMX-LBPRGKRZSA-N	412.232	5.588	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCC3CC3)CC2)cc1Cl	437782362	YADHONQPCJFGDJ-JOCHJYFZSA-N	423.944	5.418	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccccc1SC[C@H](C)C#N	438065335	ILWAECVKPZGBRZ-CTNGQTDRSA-N	409.599	6.122	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2cccc(CSCc3ccccc3)c2)c1	438482655	YOPCYADCFMOSTQ-UHFFFAOYSA-N	405.498	5.452	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H]3CCC[C@@H]3c3ccccc3C(F)(F)F)o2)c1	446001007	GFGUHXLBYUPBAN-IEBWSBKVSA-N	412.415	5.053	30	20	HKED	
C[C@H](C(=O)NCCCCSc1ccccc1Br)c1cccc(C#N)c1	462073024	VXKFKZRAAWLSOR-HNNXBMFYSA-N	417.372	5.113	30	20	HKED	
C=C(C)Cn1c(SCc2sccc2Br)nnc1-c1ccncc1	463442299	GLJWPXWZWQZRES-UHFFFAOYSA-N	407.362	5.033	30	20	HKED	
Cc1cc([C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2Cl)ccc1F	466081931	FKKWTNDMILRTJK-HSZRJFAPSA-N	421.903	5.590	30	20	HKED	
CC[C@H](Cc1ccccc1Br)C(=O)Nc1nc(C)c(SCC#N)s1	466461262	QVLMBQMYQKEMMV-GFCCVEGCSA-N	424.389	5.037	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1	470073578	OKQNNAPEPRLMMQ-ICSRJNTNSA-N	404.963	5.328	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Nc3ccccc3)ccc21	470844787	LBOVHCLAKXBJAT-UHFFFAOYSA-N	424.504	5.265	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1	472057367	HPVFLTWNLPLVPL-MRXNPFEDSA-N	410.905	5.239	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc4nc(-c5ccccc5)oc4c3)CC2)cc1	476539198	QPBIOXOKRGNLMY-UHFFFAOYSA-N	405.457	5.296	30	20	HKED	
C=CCN(C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1)c1ccccc1	477231959	ICQFLAAXOQQMLG-UHFFFAOYSA-N	410.315	5.084	30	20	HKED	
C=C(C)[C@H](N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1)c1ccc(F)c(F)c1	480689718	OSLQVZCRULMIIS-ZHRRBRCNSA-N	401.501	5.807	30	20	HKED	
C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cccc(NC(=O)c2ccccc2)c1	481921659	NPVYFRYMDMGDGD-BCHFMIIMSA-N	409.533	5.929	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)c1	483231068	NFGIXYIVBLNFPW-GOSISDBHSA-N	424.847	5.437	30	20	HKED	
N#Cc1ccc(SCC(=O)N(Cc2cccs2)c2ccc(F)cc2F)cc1	483460977	BOYRKEBVKAIROZ-UHFFFAOYSA-N	400.475	5.223	30	20	HKED	
CC1(C)CN(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CC[C@H]1C(F)(F)F	484271127	AJMFRERUVCCCOC-CYBMUJFWSA-N	416.337	5.209	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2	485312090	BMHUUKXCYUQCIS-UHFFFAOYSA-N	413.562	5.058	30	20	HKED	
C=CCNC(=O)c1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc1	486923510	AJMLVFHBHPXDOQ-HXUWFJFHSA-N	416.525	5.117	30	20	HKED	
CC(C)c1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)c2cnn(C(C)C)c2n1	487444330	IEZIMZOZFOZBEL-OAQYLSRUSA-N	403.530	5.301	30	20	HKED	
C=CCC[C@@H](C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccccc1	489012424	LVSMRQYNRMCEQT-LJQANCHMSA-N	415.455	5.275	30	20	HKED	
CCCCC[C@@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	494224967	WXUDQCOFBIBNPM-QGZVFWFLSA-N	415.588	5.279	30	20	HKED	
CC[C@H](C)CN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496334650	WKKSFUBXABBTKE-LBPRGKRZSA-N	410.465	5.134	30	20	HKED	
COc1cccc(C2(CNCc3cn(CCC#N)nc3-c3ccccc3)CCCC2)c1	500902944	XXRAXNYWNKKKDJ-UHFFFAOYSA-N	414.553	5.074	30	20	HKED	
CSCc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	501472462	FCPDAVKSALFKHT-UHFFFAOYSA-N	402.519	5.447	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1	503023152	JURIFGRFGKGXFZ-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccccc4Cl)n3)CC2)cc1	504695207	NLVIZVIXUUXKEI-UHFFFAOYSA-N	423.925	5.019	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	505476509	MANADUQIBSAEQN-RBBKRZOGSA-N	406.407	5.530	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)cc1	507196200	XDNXEQAHRMVNEH-WMZOPIPTSA-N	402.416	5.249	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	510068222	AUBBFTIDHUKJPV-UHFFFAOYSA-N	411.933	5.412	30	20	HKED	
Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	510392747	DIGNSWBEIAMEOS-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1	510859303	JFYZWNUVXYVPRR-SFHVURJKSA-N	414.303	5.088	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Cl)ccc1Br	514647293	UBJWWNAWKZEHFX-UHFFFAOYSA-N	411.686	5.150	30	20	HKED	
COc1cc(C[S@@](=O)[C@@H](C)c2ccccc2F)ccc1OCc1cccc(C#N)c1	522662354	MWTMZNYCGBGHHG-NOVUIFNWSA-N	423.509	5.295	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1	524327716	BDMSSVWGWRJXQP-UHFFFAOYSA-N	416.974	5.036	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1	524839104	TZMLRWWFEXDFIX-UHFFFAOYSA-N	407.923	5.030	30	20	HKED	
N#CCc1ccnc(NC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)c1	530481505	UNFAYFXYYJBFFJ-UHFFFAOYSA-N	412.276	5.286	30	20	HKED	
N#Cc1cc(NC(=O)[C@@H]2CC23CCOCC3)ccc1Oc1ccc(C(F)(F)F)cc1	530657816	BJUKQJZACFYTRX-SFHVURJKSA-N	416.399	5.125	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1	531393153	WOSQGYODRNPKEH-UHFFFAOYSA-N	412.518	5.223	30	20	HKED	
C=CCC[C@@H](NCc1nc(-c2ccc(OC)cc2)no1)c1ccc(C(F)(F)F)cc1	537130647	SKZLTCVRHSKAJA-LJQANCHMSA-N	417.431	5.561	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3ccc4[nH]ccc4c3)c2)cc1	537194517	SYAHVMLMZJBZHW-UHFFFAOYSA-N	409.489	5.384	30	20	HKED	
COc1ccc(C#N)cc1CN[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1	539252889	QELJBOZYSKTLDC-GOSISDBHSA-N	402.494	5.005	30	20	HKED	
C[C@H](NC(=O)NCc1ncoc1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	541150998	XPEAGXGTLUMLLS-SFHVURJKSA-N	422.488	5.441	30	20	HKED	
N#C[C@@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1	542201318	VPXFWSLUBLJUQL-OAHLLOKOSA-N	405.763	5.008	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c1	542221222	WWJLBDLVXGDGQD-UHFFFAOYSA-N	421.447	5.044	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)o1	542877163	OHJVMDXPAVFONX-MRXNPFEDSA-N	415.499	5.802	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)NCc1nnc(-c2ccc(C#N)cc2)o1	543455271	SNNRSBSIVCLEKU-HXUWFJFHSA-N	400.507	5.052	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)CC1	543828606	AOUOVLJRDIDDDB-UHFFFAOYSA-N	422.287	6.082	30	20	HKED	
Cc1ncoc1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	544012959	ZQJVPDSVWXFQJF-NSHDSACASA-N	420.231	5.054	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1	546004217	PDZPZBMSMGRYCZ-UHFFFAOYSA-N	400.406	5.149	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1	552219373	QHZAVMOFKCARBX-QWRGUYRKSA-N	421.303	5.661	30	20	HKED	
Fc1cc(C(F)(F)F)c(F)cc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1	554226542	ZESXUALGJOXFTR-UHFFFAOYSA-N	413.312	5.036	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCCSC3)cc2Cl)c1	554428016	PQQYFMXVMVFFGO-QGZVFWFLSA-N	415.946	5.055	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccccc3CC#N)c3cnn(C(C)C)c3n2)c(C)o1	555515493	OJWBZGFYBRGQCI-UHFFFAOYSA-N	413.481	5.207	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(F)c(F)cc1N1CCCCC1	558513225	GFVLGWFCDPBEKN-UHFFFAOYSA-N	410.468	5.047	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC(C)C)CC1	559003609	DSXCVCOTNPBZMH-QGZVFWFLSA-N	418.969	5.041	30	20	HKED	
CCc1sc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Br	559682038	SUEYDIPUJXNQLR-LLVKDONJSA-N	409.374	5.720	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	568574337	KCGUXCHRQKDUIU-KRWDZBQOSA-N	413.477	5.326	30	20	HKED	
CCCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	569628969	MIHYYIBWBBXYAH-UHFFFAOYSA-N	400.482	5.498	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H](c3ccncc3)C2)c1	578579439	XSMNIOUGJOIQDQ-IBGZPJMESA-N	417.896	5.419	30	20	HKED	
CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCOC(C)(C)C1	583468770	JJZSAAUGHMYWSE-OAQYLSRUSA-N	421.541	5.143	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)sc1-c1cccc(Cl)c1	588348856	ARUWUUOSGSSPRY-MRXNPFEDSA-N	410.930	5.185	30	20	HKED	
Cn1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c(-c2cc3ccccc3o2)n1	589323461	CVOHHHGLVRFWHV-UHFFFAOYSA-N	421.460	5.504	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cs1	589504359	RPZLLYHLLSUWPK-FQEVSTJZSA-N	419.525	5.211	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1OC(F)F	591780760	JUHMCMKFQFBZJA-UHFFFAOYSA-N	411.273	5.203	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)o2)cc1	594569487	XEHGSRGSPYNIJQ-OAHLLOKOSA-N	404.491	5.653	30	20	HKED	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	603809295	HHLCGTMVCBPVIU-HNNXBMFYSA-N	407.857	5.113	30	20	HKED	
Cc1cccc(OCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	604003967	UEMHSSSLBISIGP-UHFFFAOYSA-N	400.478	5.048	30	20	HKED	
CCCN1Cc2cccc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c2C1	608981569	BUJZXWHCYLQPEZ-INIZCTEOSA-N	422.598	5.053	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)c(F)c(F)c1F	609062355	GPQVNVLFEJMJAS-UHFFFAOYSA-N	414.358	5.254	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc4ccccc4n3CC#N)cc2)cs1	609162432	NAPHLYZWKXIICJ-OAHLLOKOSA-N	400.507	5.088	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1Cl	609164006	FJLKSUCGUAOONF-LJQANCHMSA-N	400.869	5.053	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1	609188389	SHILHNXEPLSLLH-UHFFFAOYSA-N	420.582	5.419	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1cccc(C(=O)NCc2ccco2)c1	609384666	FTOULNFIKXOTBP-QGZVFWFLSA-N	405.523	5.073	30	20	HKED	
Cc1ccc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1OCC1CCCCC1	610156154	BSSKIWZUFPKZHG-UHFFFAOYSA-N	421.541	5.115	30	20	HKED	
CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc(C#N)cc1F	610434299	CCOVIFFCGGXZFK-UHFFFAOYSA-N	405.376	5.116	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1	612655284	NZKHIIBGJRNVFH-HNNXBMFYSA-N	422.978	5.656	30	20	HKED	
C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	642636596	SNLDDUXUWFVCDH-IVZWLZJFSA-N	418.328	5.235	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	672660658	YRWKVZMCSTXIMT-UHFFFAOYSA-N	409.534	5.513	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(Br)c1)c1nc2cc(F)ccc2s1	676591972	WSGDDEDNUGNNAH-GFCCVEGCSA-N	409.667	5.341	30	20	HKED	
CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1	726732321	DDJQMIVXQXJCLO-MRXNPFEDSA-N	405.479	5.020	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	728118323	URZNMTBTCZJBEU-LJQANCHMSA-N	417.431	5.733	30	20	HKED	
O=C1/C(=C\c2csc(-c3cccs3)n2)COc2ccc(Br)cc21	728440718	SPRPERZSTFACNI-POHAHGRESA-N	404.310	5.293	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1csc(-c2ccccn2)n1	728442012	STFOUCQQWXQMQV-MDZDMXLPSA-N	407.495	5.672	30	20	HKED	
CC[C@@H](C)Cc1c(C)sc2nc(SCc3ccc(OCC#N)cc3)nc(O)c12	731158050	OWWQOYLJEFFAET-CYBMUJFWSA-N	413.568	5.489	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1	731225553	FSHFMGWWSILEHI-UHFFFAOYSA-N	409.555	5.243	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1	731538975	VSUVHMGXLQROOQ-CLJLJLNGSA-N	421.500	5.350	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1	733843574	QVVPGLOKOOSGCB-LJQANCHMSA-N	421.497	5.121	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)c1	733846409	DPFCPJDFJQPXHD-GOSISDBHSA-N	419.447	5.121	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)ccc2c1	734080919	ADFOSFBLDJGBGP-ZGHBNVOCSA-N	411.486	5.257	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Oc2cccc(NC(=O)c3cccs3)c2)c1	734116025	OBGRHBMVMCLJQC-UHFFFAOYSA-N	420.490	5.027	30	20	HKED	
C=CC[C@H](NCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccncc1	734509634	NFXYUZWMABOYMT-DEOSSOPVSA-N	420.516	6.088	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc4c(c3)OCO4)cc2Cl)cc1	735237980	KFENDJCOXLCLBR-UHFFFAOYSA-N	423.881	5.542	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccsc3)n2)COc2c(F)cc(Br)cc21	741470739	UJJJSOVDDBBMOT-KMKOMSMNSA-N	422.300	5.432	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)C[C@@H]2OC(=O)c3ccccc32)c1	741969358	ACRIWCYYCNORNH-QFIPXVFZSA-N	416.864	5.047	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	742985779	ZBSANNZEVZIGLE-IBGZPJMESA-N	407.926	5.813	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN(C)[C@@H]2CC[C@H](SCC)C2)c1=S	743398361	DNATVKUTLYFUHG-MOPGFXCFSA-N	402.633	5.139	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2CC(C)(C)C)c1=S	747075554	DCZCAZLTKCUHKK-KRWDZBQOSA-N	400.592	5.134	30	20	HKED	
O=C(/C=C/c1cnc(N2CCCC2)nc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750916717	OOFGNVMUYMJDSJ-ONEGZZNKSA-N	415.337	5.011	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccn3)s2)CSc2ccc(Br)cc21	753142792	RODNKYLCMHQPTM-YRNVUSSQSA-N	415.337	5.340	30	20	HKED	
C#CC[C@@H](NCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccccc1	756997612	ZEKSHTAYDITCOP-OAQYLSRUSA-N	409.942	5.335	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)ccc2O)cs1)c1ccc(F)cc1F	757476818	SWQHSNIFSAOODI-VMPITWQZSA-N	414.433	5.016	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21	757797180	RBHSGGHXNQIEQC-QFIPXVFZSA-N	403.526	5.172	30	20	HKED	
CO[C@@](C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1F	759434266	DOCFNHLARUJDPD-QVKFZJNVSA-N	414.889	5.341	30	20	HKED	
C[C@@H](NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccc(OCC#N)cc1	769688674	BSFAFRTVGCRNEL-YLJYHZDGSA-N	403.551	5.169	30	20	HKED	
Cc1cncc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	772555367	WVAQUPAOGBKIAW-SVERHTFXSA-N	414.317	5.710	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1	772958979	JPGNPNPVPDPBCH-GJZGRUSLSA-N	411.958	6.086	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccccc2Cl)CCOCC1)c1nc2cc(F)ccc2s1	779206625	PYWYWPCJSUZCRP-AWEZNQCLSA-N	414.889	5.013	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OC(C)C)c1	789622703	XPWSLXVPQMXQAZ-HSZRJFAPSA-N	400.478	5.390	30	20	HKED	
O=C(/C=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1cnn(C2CCCC2)c1	799897493	VWQDDZDCNCNXFM-MDZDMXLPSA-N	411.303	5.047	30	20	HKED	
Cc1c(C(=O)OCCCC2(C#N)CCOCC2)oc2c(C)cc(Br)cc12	800204479	LXTLRDGNDLRKCF-UHFFFAOYSA-N	420.303	5.070	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc(C(=O)C(C)C)cc3)n2)cc1	802043743	OUKBFZQSYOLMRN-LAUBAEHRSA-N	416.546	5.937	30	20	HKED	
Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(C#N)ccc2Cl)c2ccccc2)cc1	803832923	MOEXBTXNPXSZNK-OAQYLSRUSA-N	404.853	5.057	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C	806209430	ALNVGCAWZNUGPG-UHFFFAOYSA-N	412.493	5.306	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)c(F)c2)cc(OC)c1OCC(F)F	809158377	SSFKRVGQXMDQHV-UTCJRWHESA-N	400.780	5.036	30	20	HKED	
C=CCn1c(-c2ccc(CSc3ccc(Cl)cc3)cc2)nnc1N(C)OC	809923251	ZCHVVBRIBSUVIN-UHFFFAOYSA-N	400.935	5.074	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)n1	810519607	IIBMHZZASUJPPI-CYBMUJFWSA-N	403.479	5.007	30	20	HKED	
Cc1c(C(=O)/C=C\c2cn(C)nc2C(F)F)cnn1-c1ccc(Cl)cc1Cl	812243058	BLRNYZFFZBJGMY-UTCJRWHESA-N	411.239	5.055	30	20	HKED	
COC(=O)CCSc1cc(Cl)ccc1N[C@@H](C)c1ccc(OCC#N)cc1	864024638	DJYHNRWURXJAJL-AWEZNQCLSA-N	404.919	5.071	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(NCc2cc(C#N)ccc2Br)cc1	864032260	LKUMRGHZVXNIFZ-UHFFFAOYSA-N	416.319	5.304	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(Cl)ccc2OC(F)F)S1	915983674	RJIQZPIVCBRZPQ-DHDCSXOGSA-N	408.857	5.450	30	20	HKED	
C=CCOc1ccccc1CN(C(=O)c1ccc(C)nc1O)c1ccc(C)c(C)c1	918555219	DEOBYANUMAMDNR-UHFFFAOYSA-N	402.494	5.124	30	20	HKED	
CC1(C)CCc2nc(O)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2C1	1565688371	UNFRDPWKKUIRHP-UHFFFAOYSA-N	413.477	5.218	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)c3ccccc3)CCC2)cc1	1791299140	SLTHSSNFABETQL-IBGZPJMESA-N	416.443	5.043	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CCC1	1791534306	RZNQNLCJTJSQJI-RTWAWAEBSA-N	424.491	5.136	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC2)cc1	1791730144	KDEPNTRABIYQRA-BJKOFHAPSA-N	414.549	5.118	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(OC)cc1)C(=O)c1ccccc1	7912915	ICPDIFXXLNYJRA-HKOYGPOVSA-N	413.517	5.725	30	20	HKED	
C=CCN(CC(=O)Nc1ccc(C)cc1Br)Cc1ccc(Cl)s1	8164136	ARYASZSQEKTCAV-UHFFFAOYSA-N	413.768	5.099	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2cccc(C)c2)cc1	14871916	YUBAYFHTFLNHAN-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O	20066586	KPTZEXTWRJCAOU-CYBMUJFWSA-N	424.913	5.139	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Nc4ncccn4)c3)n2)cc1	41511525	BMAJDFXFLNLNII-LJQANCHMSA-N	411.490	5.142	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1	55568493	KVDDKHHFEVUFMZ-UHFFFAOYSA-N	408.461	5.232	30	20	HKED	
COc1ccccc1C(C)(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	58699211	BWJLOTZDJCEYRA-UHFFFAOYSA-N	400.478	5.584	30	20	HKED	
N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)o2)cc1Cl	247640504	GXLKVNAYAGKPIP-UHFFFAOYSA-N	419.293	5.036	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	303526792	VVOOXGFHIWGRLK-JOCHJYFZSA-N	415.880	5.079	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	303644129	IGOAXAQGAGXMNT-OALUTQOASA-N	404.416	5.679	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(Oc2cnccn2)c1	303826747	QFYAVBKFAABVBJ-UHFFFAOYSA-N	415.371	5.105	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)c1	303966111	CZRXIPYDPLRXKS-LEWJYISDSA-N	415.320	5.039	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1	410368866	CWCBTVOLBMIKSD-UHFFFAOYSA-N	422.575	5.850	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H](c1ccncc1)c1ccc(Cl)cc1	426122654	JFDAHJSWSYRCFH-FQEVSTJZSA-N	411.292	5.513	30	20	HKED	
COc1cccc(C(=O)c2ccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc2)c1	430588455	DVWMBWXCICTYET-IBGZPJMESA-N	418.518	5.170	30	20	HKED	
COc1cc(C(=O)NCC2(CC#N)CC2)ccc1OCc1ccc(Cl)cc1Cl	431157535	VITGWSAJOHSRPY-UHFFFAOYSA-N	419.308	5.005	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	431184609	UNWQDHGZKOKWAS-UHFFFAOYSA-N	410.474	5.311	30	20	HKED	
C[C@H](NC(=O)CN[C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1Cl	433013576	XZVGLBYIASHQNK-YWZLYKJASA-N	404.341	5.195	30	20	HKED	
CC(C)[C@@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	434614710	JGRAXJCMSVJTKK-SBUREZEXSA-N	413.562	5.345	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1oc2ccccc2c1CSc1cccs1	437488110	CLMUEJULZDESET-MGPUTAFESA-N	413.564	5.498	30	20	HKED	
C[C@@H](Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)N(CCC#N)c1ccc(F)cc1	439548541	JJZZBDLXLDSNGM-OAHLLOKOSA-N	408.477	5.012	30	20	HKED	
CCCc1c(NC(=O)c2ncsc2-c2ccccc2)cnn1-c1cccc(C#N)c1	440090449	VHRLZISZPVXVOH-UHFFFAOYSA-N	413.506	5.072	30	20	HKED	
C=CCC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	441539696	IVVTXPPOMRFHIM-FQEVSTJZSA-N	404.432	5.030	30	20	HKED	
COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)NCC1CCC(C#N)CC1	442725454	UWWSWVVWBORLRA-ITAUSPCMSA-N	419.569	5.168	30	20	HKED	
COc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(Cl)c1O	443132663	TVWXCACGKOTJTM-CQSZACIVSA-N	406.869	5.084	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cc(C)c(O)c(C)c1C	443607417	RDEVOZYRVGJXLY-UHFFFAOYSA-N	415.493	5.721	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cn(CCCC#N)c4ccccc34)[nH]c2c1	444140559	MVJADBGAPIPGHZ-QHCPKHFHSA-N	411.509	5.107	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1csc2ccccc12	446057685	APZRRFPXAZVHSQ-OAHLLOKOSA-N	408.548	5.755	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21	461963029	QREOFJDIUXFISR-HSZRJFAPSA-N	419.573	5.115	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)CCc1cccc(F)c1	463103614	FDRMCWMZKOWXCS-MRXNPFEDSA-N	403.457	5.401	30	20	HKED	
N#CCSCCCSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3	466613420	DVRCSRUWAKUUDI-UHFFFAOYSA-N	419.641	5.191	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccncc1	468655640	NBUVEJOFGHZQDM-MRXNPFEDSA-N	418.526	5.046	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)CSCc1ccc(C#N)cc1	471440280	FFHXVRIVQSFNLR-UHFFFAOYSA-N	402.519	5.318	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCC(=O)Nc1cccc(Cl)c1C	475550356	QTRLFMWIIQNNOY-UHFFFAOYSA-N	413.949	5.651	30	20	HKED	
CC(C)n1cc2cc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)ccc2n1	475821594	OELADLJVWDJFIV-UHFFFAOYSA-N	417.513	5.001	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc(C(C)(C)C#N)cc3)s2)cc1	476066871	YYXRBHINIVQANP-HNNXBMFYSA-N	419.550	5.419	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	476155780	NTPYOHRNYWQDRF-UHFFFAOYSA-N	417.303	5.770	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2)cc1	483197407	KQFIZSWSBMAXSN-XMMPIXPASA-N	403.441	5.583	30	20	HKED	
CC(=O)c1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)nc1C	485752066	RIKXKQDSUOLYEX-QFIPXVFZSA-N	417.896	5.462	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](CCCC#N)c1ccccc1	487506863	WLVGNGWPVVNRQW-FQEVSTJZSA-N	407.514	5.346	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)s2)cc1	501169898	MDIVOEZDHZRIDO-UHFFFAOYSA-N	418.503	5.066	30	20	HKED	
C=CCn1c(SCc2cnc(C)nc2)nc2scc(-c3ccc(C)cc3)c2c1=O	505443163	DESKGRQECHUCBD-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1	507824716	JKQZRCUPYLGUHN-GOSISDBHSA-N	415.493	5.415	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1Br)[C@@H](C)c1ccc(C#N)cc1	509563492	HITXRNOHPUAQPJ-JKSUJKDBSA-N	415.331	5.006	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(CC(C)C)c3C3CC3)n2)cc1	509854672	PFYUJCBBYJONHV-SFHVURJKSA-N	420.538	5.039	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)cc1Cl	510056962	QRAFNAJNRAUPTN-RBBKRZOGSA-N	422.960	5.088	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C#N)ccc1Cl	510809256	AUAGTBSKWBGRRX-UHFFFAOYSA-N	401.853	5.223	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1	511893564	ZFBIRKDDSAOZNW-QWRGUYRKSA-N	410.383	5.628	30	20	HKED	
CSc1ccccc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N	511933036	WFUGJMSZSMTEEC-OAHLLOKOSA-N	402.610	5.675	30	20	HKED	
CCOc1ccccc1C1=CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1	512388921	BGUGRNNVYFCIQG-UHFFFAOYSA-N	406.526	5.066	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccoc3)n2)nc2sc(C)c(C)c2c1=O	518652887	JIBFVSHCNOZSHN-UHFFFAOYSA-N	415.565	5.270	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(Br)cc2Cl)cc1	519485241	MIZAWVUZPJXIIY-QGZVFWFLSA-N	405.723	5.395	30	20	HKED	
CCO[C@H](c1noc(-c2cccc(CC#N)c2)n1)c1ccc(F)cc1C(F)(F)F	519670481	NWQQWLKNMAMKBJ-KRWDZBQOSA-N	405.351	5.086	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1cc2ccccc2s1	525952394	XLADDLWRFMHAFF-HOTGVXAUSA-N	409.580	5.585	30	20	HKED	
Cc1ccc2oc(CN(CCC(=O)Nc3sccc3C#N)Cc3ccco3)cc2c1	532581929	OACKLOZHBCSLSS-UHFFFAOYSA-N	419.506	5.298	30	20	HKED	
C[S@@](=O)Cc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	534884548	KHQQDRMTGGFFMH-GDLZYMKVSA-N	424.909	5.135	30	20	HKED	
CS[C@H](C)CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	536901892	YALUGDIOKRUUKD-LLVKDONJSA-N	413.490	5.095	30	20	HKED	
COc1cccc([C@@H](CNc2nccc(C)c2C#N)c2c[nH]c3ccccc23)c1OC	542211279	OFAGHEOUHTXFPZ-OAQYLSRUSA-N	412.493	5.004	30	20	HKED	
CC(C)(C)c1nn(CCOC(c2ccccc2)c2ccccc2)c(O)c1CCC#N	542924024	CQNAOOCXZSVRHG-UHFFFAOYSA-N	403.526	5.149	30	20	HKED	
C=CCC[C@@H](NCc1ncc(Br)s1)c1ccc(C(F)(F)F)cc1	543852080	HZSWPJOACVGIKO-CYBMUJFWSA-N	405.283	5.722	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(CCC(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	544146415	HJJHWARRQYCCKC-AWEZNQCLSA-N	424.835	5.102	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)cc1	544221435	SJSUROPMYLZOMN-QFIPXVFZSA-N	417.553	5.139	30	20	HKED	
N#Cc1ccc(C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)cc1Cl	548289871	AUVDOFHSNBMSJQ-UHFFFAOYSA-N	417.612	5.183	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(SC)c(Cl)cc1Cl	553418471	URGQCOYPXHHKKL-UHFFFAOYSA-N	400.327	5.019	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1)c1ccccc1	555696733	DKQLYNOABODKCC-AWEZNQCLSA-N	410.399	5.397	30	20	HKED	
COc1cc2c(cc1F)CN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CC2	558235653	QPPQURPDJRDUAQ-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(CCc3cccc(F)c3)C3CC3)cc2)ccn1	562109479	QJPZNIBORMEGMZ-UHFFFAOYSA-N	416.456	5.124	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1nc(C#N)cs1	563629111	HDCHHBKAPKSMNL-SNVBAGLBSA-N	419.373	5.060	30	20	HKED	
COCC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	569479737	HEXRVCVJEIRDTJ-JXFKEZNVSA-N	405.325	5.275	30	20	HKED	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	573392088	KSAUFUIIQZKZGJ-KRWDZBQOSA-N	408.461	5.111	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)cc(-c3cccs3)nc21	589197269	LVCDCXYWKWZYII-UHFFFAOYSA-N	421.913	5.518	30	20	HKED	
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2c(F)cccc2F)cc1	589339202	WHLIAYJLHURHEE-QGZVFWFLSA-N	418.491	5.218	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1	603977268	PDXCHNDIGZRANU-FQEVSTJZSA-N	414.509	5.359	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)NC1(C#N)CCCCC1	604046405	DUYVDFBOJLIIFA-MRXNPFEDSA-N	422.916	5.147	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCOc4c(Cl)cccc43)cn2)cc1	604362116	JRLRHNLMSNQMPX-LJQANCHMSA-N	420.856	5.044	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2cnco2)cc1	609060589	JULZBJDAEKQWOW-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)c1	609064075	SZCIQRSJQHCTHG-UHFFFAOYSA-N	413.389	5.044	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCOc1ccc(Cl)cc1	609401878	FMOVAAVUYFCBJB-MRXNPFEDSA-N	417.962	5.525	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)c(C)c1	609427873	ZGFDBPZHMOIFOQ-INIZCTEOSA-N	407.564	6.074	30	20	HKED	
CC(C)c1ccc(SCC(=O)N[C@H](C#N)c2ccccc2Br)cc1	609593164	QHJWOMCWUDWFRT-GOSISDBHSA-N	403.345	5.046	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1cccs1	609744583	RRIVIEIHTJFKEF-YLJYHZDGSA-N	421.591	6.105	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cc1	610180752	ASDKHTLTUXGAAC-UHFFFAOYSA-N	400.372	5.115	30	20	HKED	
N#Cc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)c1	610877549	UHPFHUPPYLYMNC-NXEZZACHSA-N	413.749	5.243	30	20	HKED	
N#Cc1c(NC(=O)c2cnn(Cc3ccccc3Cl)c2)sc2c1CCCCC2	613258954	OIQSUPHDCZRLFM-UHFFFAOYSA-N	410.930	5.039	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc1C	613346770	QJVPXBPZPJQAIN-CYBMUJFWSA-N	407.347	6.285	30	20	HKED	
Cc1cc(C#N)ccc1CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C	614401896	OUTFIWXLOMRUAV-UHFFFAOYSA-N	423.866	5.388	30	20	HKED	
CCN(C(=O)Cc1ccc(Br)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1	615727255	DQYZKXNUHYBDBF-CYBMUJFWSA-N	405.723	5.126	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1-c1ccccc1	617106134	RYLYNLKGKWMURO-UHFFFAOYSA-N	423.476	5.442	30	20	HKED	
FC(F)(F)COc1cccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	618447874	FTFONICOLUWYKV-RYUDHWBXSA-N	409.292	5.190	30	20	HKED	
Cc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1C(=O)N1CCCCC1	618882722	VNPRUTVEIWPLMG-UHFFFAOYSA-N	416.308	5.052	30	20	HKED	
N#CC1CCC(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)CC1	619660270	OYDUIDQCINAECV-UHFFFAOYSA-N	421.491	5.492	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C(F)(F)F)c1	683089319	KSKGERXAQXSRRX-PHIMTYICSA-N	422.291	5.608	30	20	HKED	
Cc1ncccc1/C=C1\CC(C#N)(c2ccccc2)C/C(=C\c2cccnc2C)C1=O	728786032	RCNFGWITQVWWRO-OZEVPFDHSA-N	405.501	5.385	30	20	HKED	
CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nn(CN(C)[C@H](C)CC#N)c1=S	728902964	ZBNJCAAOBLDWGQ-CYBMUJFWSA-N	412.390	5.235	30	20	HKED	
CC(C)Cc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	731067499	WISRAHXAOBVTAH-KRWDZBQOSA-N	410.539	5.075	30	20	HKED	
N#C[C@H](C(=O)CCCCCc1cccs1)c1nc(-c2c(F)cccc2F)cs1	731546026	CKBSBOXKPMWNMK-OAHLLOKOSA-N	416.518	6.129	30	20	HKED	
O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C\c1coc(-c2ccccc2)n1	731835346	AEVSLGPBXXOFRX-YBEGLDIGSA-N	415.396	5.252	30	20	HKED	
C[C@H](Oc1cccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)c1)C(=O)O	731936989	FKODIYYRUOMBLX-WZMONFQBSA-N	423.465	5.014	30	20	HKED	
O=C(/C=C/c1nccn1Cc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	734094702	FQZDUQWRVVCBSS-VOTSOKGWSA-N	424.344	5.865	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	739181830	XUNBWDVSPJIJOD-ABAIWWIYSA-N	406.404	5.824	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)c1cc2ccccc2n1CC#N	739307395	YSAUXOZCOLNTOL-OAHLLOKOSA-N	419.481	5.654	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740435304	NVNONUNQKUACGW-UHFFFAOYSA-N	420.494	5.177	30	20	HKED	
CCN(c1ccccc1)c1ccc(CNC(=O)c2ccccc2SCC#N)cc1	742119578	YZZHRWFCRKJSHV-UHFFFAOYSA-N	401.535	5.390	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1ccccc1F	743094868	DJRDDPFBHXCOGE-DYESRHJHSA-N	403.457	5.070	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1SCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	744034296	GGBGQRFZXRAQMR-PXNSSMCTSA-N	410.951	5.670	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1CC(F)(F)F	748033627	MJDZIXBZBZFXKH-HNNXBMFYSA-N	411.493	5.018	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCC(N3CCCCC3)CC2)cc1	750988097	BAEYGHFERAZASS-DDJHWDJXSA-N	416.569	5.261	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(F)c(C(F)(F)F)c2)cc1	755588321	PNHCLLAEDPZVBR-YCRREMRBSA-N	404.363	5.053	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)c1	758646124	FKNCVDNQTIFXBW-UGKGYDQZSA-N	420.557	5.377	30	20	HKED	
CCCCOc1ccccc1C=Nn1cnnc1SCc1ccc(Cl)cc1	767362511	XVNIMTJMPDZUST-UHFFFAOYSA-N	400.935	5.285	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1	774023814	PTEKPHANDNOFRO-YOSAUDMPSA-N	403.526	5.013	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(c3snc(Cl)c3C#N)C2)n1	774747299	YNDKELGTVWFLBK-LBPRGKRZSA-N	416.959	5.184	30	20	HKED	
C[C@@H](CCCc1ccccc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	776074333	KFZKAXXGIHQLCL-YJBOKZPZSA-N	419.550	5.111	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1c(C(F)(F)F)ccnc1Cl	776832916	WKNMWOJXCVMPNO-UHFFFAOYSA-N	418.671	5.660	30	20	HKED	
CCC(CC)(CNC(=O)Nc1ccccc1O[C@@H](C)C#N)N[C@@H](C)c1ccccc1	780673055	NFFDZXDIZYTHOT-OALUTQOASA-N	408.546	5.009	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccc(C)cc3)C[C@H]2C)c1=S	782951111	BYBKFLCESMMNHD-DENIHFKCSA-N	419.598	5.196	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	784618395	WMZQBTHZYMCLTI-XMMPIXPASA-N	406.482	5.098	30	20	HKED	
C=CCn1c(-c2ccc(C)cc2)nn(CN2CC(C)(C)[C@H]2c2cccnc2)c1=S	793576687	XTSYOAXXCCDPRY-HXUWFJFHSA-N	405.571	5.011	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)ccc21	796593751	PDTAKEQUNRYCPO-UHFFFAOYSA-N	422.529	5.055	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc(Cl)c(F)c1	803249136	QQFZLDXZZZPQHW-UHFFFAOYSA-N	414.708	5.184	30	20	HKED	
C=CCCC[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	883978422	NHPNGHVBJGCQRD-ZACQAIPSSA-N	407.398	5.716	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1	915354056	UIJRQNZPDBLFGM-DNQXCXABSA-N	415.468	5.087	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1ccc2ccccc2n1	916849466	VRASEEGPWWIYPQ-QGZVFWFLSA-N	411.324	5.107	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-]	916916634	YIVRFRZMSSVOAZ-SFHVURJKSA-N	415.449	5.007	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2)cs1	916975483	CWVCBDGLXRRDRX-GZBFAFLISA-N	412.864	6.008	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1	918036332	SVIQCPBTABIUCD-UHFFFAOYSA-N	410.514	5.245	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4Cl)cc3)CCC2)C1	1790668077	ALDCPLZWRQVTRO-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(F)ccc4Cl)cc3)CCC2)C1	1790670486	LNIWIBFGWASNQO-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1824142064	FBPOTLSPTSWBQV-QFIPXVFZSA-N	418.597	5.047	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1	1831376298	NTILHARZAWBSCM-AVRDEDQJSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1	6456356	CRLNVJCZDIPMFI-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
CCC[C@H](NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1	10399249	KCNUSFLYFUFOMC-KRWDZBQOSA-N	407.461	5.030	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cc(C)cc(C)c2)cc1	22730241	MHJRYLGWABWMOK-UHFFFAOYSA-O	423.627	5.964	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	56619733	BIKSXGDLLQSGDU-UHFFFAOYSA-N	415.493	5.168	30	20	HKED	
C=CCn1c(SCc2ccc(OC(F)F)cc2)nnc1-c1ccccc1OC	60426846	DUGCGDVFSGLXQC-UHFFFAOYSA-N	403.454	5.033	30	20	HKED	
CC(C)(C)c1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	63235838	AGXSXXMKTDKNEH-ZDUSSCGKSA-N	401.944	5.708	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc21	63414570	QCEKVFDNGPQLKF-UHFFFAOYSA-N	417.321	5.871	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl	65545978	OARBYQWFANGIPR-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1	97548043	ZUBKICMNXDJFNF-UHFFFAOYSA-N	404.441	5.415	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)cc1	216291347	XDMMOFIJUGKSID-YPKPFQOOSA-N	403.404	5.055	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(COCc2ccco2)c1)c1ccccc1	432682259	RDTXWDQGBAVTGR-QHCPKHFHSA-N	403.482	5.553	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(COCc2ccccc2)cc1)c1ccccc1	432956936	BMHRPWCDPBOSKT-RUZDIDTESA-N	413.521	5.960	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@](C)(CCc2ccccc2)C1	435133511	BOZJIPHSNGUOHC-DVECYGJZSA-N	407.583	5.815	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1OCC(F)(F)F	435206296	LVHAUEMJVBTXLJ-AEFFLSMTSA-N	421.394	5.070	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2cccc(Cl)c2s1	436381315	AAMUPJDUFHIWKR-UHFFFAOYSA-N	423.881	5.270	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1C(F)(F)F	438636339	OMCKWGIIHJBOFL-OAHLLOKOSA-N	401.310	5.392	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@@H](C#N)c1ccccc1Cl	439087455	QRDLSHQWMQEGKK-INIZCTEOSA-N	420.683	5.605	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc(F)cc1F	439670823	IJVYERKJIKWGEB-ZDUSSCGKSA-N	411.383	5.207	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3)c3c(C)noc3n2)c(C)s1	439945668	SLIUCRZYACUDFF-UHFFFAOYSA-N	402.479	5.025	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccccc1SC)c1ccc(C(F)(F)F)cc1	442023433	CHKGJOXNAPIIKS-MRXNPFEDSA-N	422.472	5.190	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ncoc3-c3ccccc3Cl)n2)cc1	442684882	TXNKJSSESGILJV-INIZCTEOSA-N	419.893	5.917	30	20	HKED	
CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	447859127	RZHKNDOKGZPIIB-QHCPKHFHSA-N	403.457	5.354	30	20	HKED	
N#Cc1ccc(NC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)cc1C#N	460113435	ZNVROMBAOFCDRW-NRFANRHFSA-N	405.429	5.180	30	20	HKED	
N#Cc1ccc(SCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1	460164992	CXMFAFKGRHZVFL-UHFFFAOYSA-N	417.921	5.409	30	20	HKED	
Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	460532310	MOGDLDOGPATDRB-UHFFFAOYSA-N	402.494	5.089	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCCc2ccccc2C1	460779741	AUEQNEFHKMERGL-UHFFFAOYSA-N	420.582	5.108	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1	463726975	IYBPOGXRDQZYCZ-AREMUKBSSA-N	406.570	5.388	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1	463758580	YURKGVHQWKYHGC-CQSZACIVSA-N	409.536	5.465	30	20	HKED	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCSCC#N)nnc1-c1cccs1	466621307	QJRPYZNPOCZXCC-QAETUUGQSA-N	418.657	5.743	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(CC(F)(F)F)cc2)c1	467400580	VWMDUYARVXDWOK-QGZVFWFLSA-N	403.448	5.156	30	20	HKED	
N#C[C@@H]1N(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CCC[C@@]12CCCCO2	468657920	DZUAHJHVHKOIRW-GMAHTHKFSA-N	410.901	5.200	30	20	HKED	
CC(C)(COCC(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	469135386	WOCMYNDJKSWAPS-QGZVFWFLSA-N	406.860	5.242	30	20	HKED	
CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469948407	PPULWMYOLIHESR-IBGZPJMESA-N	417.553	5.525	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccccc1-n1cccn1	470591135	OYPBZRMUHYCJGO-DLBZAZTESA-N	405.527	5.007	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1	474792568	UHIAPMWHOOPNGA-UHFFFAOYSA-N	407.857	5.239	30	20	HKED	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	474975205	XTQKIFASNVAIAZ-HDICACEKSA-N	417.553	5.167	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1	475575511	QZZPCVWHPXNOFT-UHFFFAOYSA-N	417.553	6.400	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	476455079	HKGLVVXCDIDMTO-FQEVSTJZSA-N	412.537	5.549	30	20	HKED	
COc1ccc(-c2csc(NC(=O)c3cccc(SCC#N)c3)n2)cc1Cl	476913992	OMSZNRVKCJDSOV-UHFFFAOYSA-N	415.927	5.340	30	20	HKED	
Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	477491403	DLRMQMMRURZCSA-UHFFFAOYSA-N	419.247	5.044	30	20	HKED	
Cc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)csc1Br	477718960	ODFSXCGIIQTBLJ-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1	479511594	PRCBGHAZOBOSKM-UHFFFAOYSA-N	417.515	5.356	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCCC[C@H]1c1nc2ccccc2o1	480587910	MENBNDOGIGQYRJ-QHCPKHFHSA-N	422.488	5.382	30	20	HKED	
CC(C)(CC(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)C(F)(F)F	480745813	OWJOAWGUJHKCFN-NSHDSACASA-N	411.264	5.283	30	20	HKED	
C[C@@H](CC#N)NC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1	480983783	RREUUDCKONJQPT-NSHDSACASA-N	415.316	5.149	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N(Cc1ccccc1)CC(F)F	482420740	XIEVQSWNBAELLF-MRXNPFEDSA-N	408.317	5.045	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1OCC	483216678	LKGJWVULIADYGA-SFHVURJKSA-N	408.885	5.566	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21	483328017	ASJKFRKFOLHLOI-KBXCAEBGSA-N	413.518	5.644	30	20	HKED	
C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1ccccc1	498011261	GJOAAMFJHCXNLS-UHFFFAOYSA-N	401.495	5.006	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(-c3cccc(Cl)c3)no2)cc1	499454593	JYHQYOWDVOGHFA-UHFFFAOYSA-N	419.790	5.071	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCCC(F)(F)C1	500166752	WYCGEANWXIHTPJ-ZDUSSCGKSA-N	418.328	5.444	30	20	HKED	
C=CCn1c(SCCO[C@H]2CCCCO2)nnc1-c1ccc(C(C)(C)C)cc1	502735864	CBGNGCAQDLKJQX-IBGZPJMESA-N	401.576	5.064	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c12	505323722	XYFQMUOQVLFUIK-CQSZACIVSA-N	414.387	5.127	30	20	HKED	
N#C[C@@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)c1ccccc1F	505960651	QFIXHVIWSNZBQS-OAQYLSRUSA-N	400.409	5.146	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	506772168	BRVIWZHDEIABAO-UHFFFAOYSA-N	418.472	5.114	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1	507823880	HKHYWWZBXQTXLL-GOSISDBHSA-N	415.493	5.415	30	20	HKED	
C=C(C)CCc1noc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)n1	508644730	GUQQMIMQTALZEQ-UHFFFAOYSA-N	424.357	5.456	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1	509674276	UZOWRCQMALBUSM-UHFFFAOYSA-N	423.472	5.967	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)Nc1ccc(CC#N)cc1	510033111	FYYCMRVLBJBOSG-UHFFFAOYSA-N	407.514	6.063	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)cc1Br	510830171	NHJAOKCYPAIACO-LBPRGKRZSA-N	403.345	5.570	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@H](c1cccnc1)c1ccc(F)cc1F	512294303	WUZMHCJVHGUWLP-OAQYLSRUSA-N	411.839	5.137	30	20	HKED	
C[C@H](c1ccccc1)N(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CC1	513518943	GZOFAOUUFZVYNN-MRXNPFEDSA-N	402.523	5.363	30	20	HKED	
CC(C)c1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nn1C(C)(C)C	514451625	GSCSNUXKUUEECB-UHFFFAOYSA-N	416.525	5.464	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3nc4cc(Cl)ccc4s3)c2)c1	517549333	JLFLLFNNGMEPRU-UHFFFAOYSA-N	419.937	5.690	30	20	HKED	
COc1ccccc1CCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	520582401	GHADSFJGOJUNSN-UHFFFAOYSA-N	415.493	5.374	30	20	HKED	
COc1cc(Cl)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	520910392	MJLSUIYJNQAALJ-HNNXBMFYSA-N	403.290	5.616	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)cc2)nc1	521952170	IDDWNOYWONIPOX-VWLOTQADSA-N	423.447	5.404	30	20	HKED	
Cc1ccc(CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)[C@@H]2CCc3ccccc32)cc1	523907906	QWEWBORZSPFFBQ-FQRUVTKNSA-N	409.533	5.827	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	524336328	OHHRTANCSBQRLG-JTSKRJEESA-N	420.896	5.067	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	524436430	URIOIUCVRLQIKJ-SNVBAGLBSA-N	414.239	5.691	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Nc2ccccc2)c1)c1nc2ccccc2n1C(F)F	524931725	ICQVXTYNMBGOEQ-SFHVURJKSA-N	402.404	5.665	30	20	HKED	
COc1ccc(CN(C)C)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	531122517	SLQSHOUOFXCWDS-UHFFFAOYSA-N	417.534	5.032	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)OCC	535152728	KEVDJTSCFPSUTO-HXUWFJFHSA-N	406.448	5.001	30	20	HKED	
C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	537951619	VRWJUCMTQAGQHV-MRVPVSSYSA-N	419.291	5.327	30	20	HKED	
C=C(C)[C@H](CC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)OCC	538253611	KFYRTYPBLOLNHY-IBGZPJMESA-N	417.531	5.079	30	20	HKED	
COc1ccc(SC)c(OC)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	538297278	PJDFZMKFEUOAAQ-UHFFFAOYSA-N	420.490	5.342	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1F	539959734	MDABNTRNBRYNCY-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
Cc1cnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1	542124410	ZEHAZQUKFZDWKA-GFCCVEGCSA-N	406.248	5.414	30	20	HKED	
C=CCn1c(SCc2nnc3n2CCCCC3)nnc1-c1ccc(C(C)(C)C)cc1	556318421	DSRRJTSQPBFHLV-UHFFFAOYSA-N	422.602	5.039	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccccc1OC	563780814	OAGLDNMSIJPYLS-UWJYYQICSA-N	422.504	5.093	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)ccc1Cl	581957459	JJAZCIGLURIDGL-UHFFFAOYSA-N	402.800	5.756	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	590016518	QTRXRYWBLVIYNC-HZPDHXFCSA-N	412.238	5.284	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c3c2CCC3)c(C)c1	592975944	ZGTPTPDLNUEOTQ-HXUWFJFHSA-N	406.489	5.016	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	603690175	YARNQLHMIHIHFQ-JOCHJYFZSA-N	414.465	5.123	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1	603995741	XUOLIEKETVNIRF-ZHRRBRCNSA-N	413.477	5.098	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cccc(CN(C)C)c1	604455353	PNCNGUWAFAUAJG-UHFFFAOYSA-N	400.482	5.365	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCc1ccc(C#N)cc1F	609253955	CREWGPNFYXESLX-QGZVFWFLSA-N	403.457	5.468	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Cl	609429091	CZXOATAKPPRMDB-NSHDSACASA-N	401.340	5.188	30	20	HKED	
C[C@@H]1[C@@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)CCCCC#N)CCC[C@H]1C	609465200	KUUTXPOTZCWUKC-GUXCAODWSA-N	414.974	5.129	30	20	HKED	
COC(=O)C(C)(C)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	610189504	VHUSMHHLWXKDPA-UHFFFAOYSA-N	414.461	5.053	30	20	HKED	
C[C@@H](NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1cccc(C#N)c1	610360000	LNWSXXWXZXRUBD-QRQCRPRQSA-N	408.473	5.547	30	20	HKED	
CCCCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H](C)c1ccc(C)o1	611264884	UPCNZMUIWHQJID-PELRDEGISA-N	424.545	5.118	30	20	HKED	
C[C@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1	612574856	MDXKTZCSFOWUKW-APPDUMDISA-N	415.228	5.804	30	20	HKED	
Cc1ccnn1-c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	613319373	YPQAGCZTIOCWGP-IBGZPJMESA-N	418.909	5.448	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1	618815791	RCHQUPLTNLNDSD-BXKMTCNYSA-N	411.505	5.282	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1	619579379	ZWBCLIJKPQITHE-BEDYVLDCSA-N	418.537	5.142	30	20	HKED	
C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(OCc2cn3ccccc3n2)c1	619755025	RBKPLBQZHWUJIL-QGZVFWFLSA-N	416.912	5.289	30	20	HKED	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H]1CCCC(F)(F)C1	622583111	KIGULGFOKVCYIZ-JTQLQIEISA-N	419.312	5.045	30	20	HKED	
C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1	675739166	UYKJXMBVHFBGMD-DLOVCJGASA-N	405.329	5.848	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	682821820	HCBPHTKBBYXBQH-GOSISDBHSA-N	406.570	5.593	30	20	HKED	
Cc1ccc(N2CCCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1	728468081	ZQTQECLAQVOUDC-UHFFFAOYSA-N	411.505	5.012	30	20	HKED	
CC(C)Cc1ccc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2cccs2)cc1	728713152	ONRSCXYQJSWQRA-DFBJGRDBSA-N	404.579	6.117	30	20	HKED	
CN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21	728845796	SPQODBBEBDBGPH-KKMIYCERSA-N	413.340	5.029	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc2cc(F)ccc2s1	730418482	VUQOSEOFCOZOIG-QGZVFWFLSA-N	400.434	5.754	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCCc2ccccc21)C(=O)Nc1ccc(SC(F)F)cc1	731135607	FSZBGXOXEBQEIU-KXBFYZLASA-N	414.477	5.159	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1	732593020	FTGFDZLMIVKWFH-YPAWHYETSA-N	407.473	5.122	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCSc1nccs1	733884026	KEZBKGUNPAAUAU-UHFFFAOYSA-N	411.577	5.078	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C/c3ncc(-c4ccc(Br)cc4)[nH]3)c2c1	734306259	CTRXXIQOCKOLAM-CMDGGOBGSA-N	422.282	5.225	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(SC(F)(F)F)cc2)c1C	739668379	BRRSPLJGUOICES-UHFFFAOYSA-N	416.428	5.225	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744035179	JAXKWQYFTFCSIZ-SMDDNHRTSA-N	422.859	6.339	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1ccc([C@H](C)O)cc1)c1ccc(C(F)(F)F)cc1	750296162	YFPMFBRDRLEBPU-MGPUTAFESA-N	406.448	5.265	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1	750440565	CFOADCINMFDDJZ-QGZVFWFLSA-N	411.855	5.603	30	20	HKED	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	753940078	XKWVCCLFVBRYHQ-LKUPVBHCSA-N	411.530	5.848	30	20	HKED	
C#CC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	757760194	HKOBHUDSWBQRRG-VWLOTQADSA-N	409.489	5.218	30	20	HKED	
O=C1/C(=C\c2coc(-c3ccccc3)n2)COC/C1=C/c1coc(-c2ccccc2)n1	759611283	CBWQMINNAHMSBO-YZLQMOBTSA-N	410.429	5.063	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F	761773435	PNMGEJRDGPZDAV-UHFFFAOYSA-N	403.385	5.041	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl	765912111	YVTWZCKSVAKTPD-HXUWFJFHSA-N	405.885	5.326	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C	767934681	OAVCBTLHXMIVOF-KRWDZBQOSA-N	406.577	5.216	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCCN1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	768781516	SEHYQYWEFIPHSX-CTNGQTDRSA-N	421.953	5.304	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(Cl)cc2Br)ccc1OC	769926390	PMTGOYJOEVEDLQ-INIZCTEOSA-N	423.738	5.082	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	773316129	JMUVCUYRZMBOJU-SUMWQHHRSA-N	407.461	5.159	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1sc(-c2ccccc2)nc1C(F)F	774303578	XWGBDTVAVSEWRW-AWEZNQCLSA-N	420.387	5.318	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)c(F)c1	776183268	SKFPNYKJRKPZFY-JOCHJYFZSA-N	412.436	5.293	30	20	HKED	
Cc1nc(-c2cc([C@@H](C)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cs2)cs1	777114174	GJVPYJMQBYMEEK-CQSZACIVSA-N	424.595	5.186	30	20	HKED	
COc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1OCc1cn2ccccc2n1	777648854	UZDDLUSLGBZCRF-HSZRJFAPSA-N	424.504	5.283	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	780170568	XLMRWVIJWLRWLQ-HNNXBMFYSA-N	419.462	5.289	30	20	HKED	
C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cccc(C(F)F)c1)c1ccc(Cl)cc1Cl	787052364	YUWWOZVMPPLDHB-BMIGLBTASA-N	411.235	5.131	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1	788360766	NDFGCZPBIUXSKQ-CLFYSBASSA-N	410.864	5.355	30	20	HKED	
CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	789071353	VAPKRJOZANZEPD-UHFFFAOYSA-N	404.451	5.001	30	20	HKED	
CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(OCc2ccc(F)cc2)cc1	789076909	OOPMSLLPAOXPBW-UHFFFAOYSA-N	401.441	5.082	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	789451578	YVBFQJWYPNXJOB-SFHVURJKSA-N	401.551	5.060	30	20	HKED	
N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1cnc2ccccc2n1	792109910	WUVBNYSXCNYBAJ-KRWDZBQOSA-N	422.513	5.499	30	20	HKED	
O=C1/C(=C\c2ccc(-c3ccccc3Cl)s2)CCc2c1cnn2-c1ncccn1	792899613	JMKUQHQSECURBG-OWBHPGMISA-N	418.909	5.257	30	20	HKED	
C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1NC(=O)c1ccccc1	796673214	QNNMMANVXCWCFO-SFHVURJKSA-N	412.489	5.658	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1	806400887	LCCFRBPFIUCHJL-WZONZLPQSA-N	415.493	5.288	30	20	HKED	
C[C@@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(C(F)(F)F)nc1Cl	817867054	RGCIHTXFQNIEBD-SSDOTTSWSA-N	414.708	5.001	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2Cl)cc1	914501261	BLKFXNMCRWHVNV-UHFFFAOYSA-N	420.944	5.124	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	915105884	JFMPSJGRNRGZQA-JLHYYAGUSA-N	419.864	5.116	30	20	HKED	
C=CCOc1c(Br)cc(/C=C\C(=O)c2scnc2C)cc1OCC	915988415	WDDQXVNGDSIEQM-SREVYHEPSA-N	408.317	5.074	30	20	HKED	
C[C@@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2C1	916883761	ONNJNVYJQBPKTA-IAQYHMDHSA-N	420.506	5.149	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(Cl)c1	916927469	KPMGFMLLOJSVJT-SNVBAGLBSA-N	402.064	5.261	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1	916950559	VDVXXLZWCKYYCK-KBXCAEBGSA-N	420.900	5.205	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Cl)cc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	917043838	PJDQCKNNWMQRNP-AWEZNQCLSA-N	420.843	5.877	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1	1790267334	NYXULULVZFDOPL-UHFFFAOYSA-N	415.320	5.155	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl	1799545058	BFZNLSFUFNIDDW-MUJYYYPQSA-N	423.384	5.238	30	20	HKED	
Cc1sc2[nH]c(/C(Cl)=C/c3cccc(C#N)c3)nc(=O)c2c1-c1ccccc1	22313881	KWFJSGPUPYCERM-BOPFTXTBSA-N	403.894	5.569	30	20	HKED	
C=CCn1c(SCc2csc(C)n2)nc2scc(-c3cccs3)c2c1=O	22560121	XEJHGIROFRUHNV-UHFFFAOYSA-N	417.606	5.430	30	20	HKED	
C=CCn1c(C)cc(C(=O)COc2ccc(C3SCCS3)cc2OC)c1C	23189092	SUSXXHCKZRXZMQ-UHFFFAOYSA-N	403.569	5.040	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2cccc(Cl)c2C)c1	23603477	LJANTFIJQQXJML-UHFFFAOYSA-O	412.966	5.240	30	20	HKED	
COc1ccc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OC(F)F	23609189	XJCBFWHYAYYWAW-KAVGSWPWSA-N	401.365	5.035	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1C#N	46653937	YMARJUXGMXNYSW-UHFFFAOYSA-N	406.511	5.244	30	20	HKED	
C[C@@H](CCc1ccco1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161590	QWNIBVJPYVTQSC-SFHVURJKSA-N	403.482	5.067	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(F)cc1	59795747	WZRXDRMATKBHPZ-UHFFFAOYSA-N	416.909	5.045	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2csc3ccccc23)cc1OC	61048056	QAWIIBSRNXZKMV-UHFFFAOYSA-N	418.356	5.527	30	20	HKED	
C=CCN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1	71846266	ONRWMFSNUDFKMI-HSZRJFAPSA-N	418.924	5.420	30	20	HKED	
C=CCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1	212284514	PGZAKYYPSVEHBA-LDADJPATSA-N	414.914	5.020	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1	303842843	MIGMORGCPMRTBS-WZONZLPQSA-N	414.480	5.295	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2csc(-c3ccccc3Cl)n2)s1	430631854	VSIXPJQDZAHNEC-LBPRGKRZSA-N	401.944	5.708	30	20	HKED	
C[C@H](S[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(C#N)cc1	437276136	MWNYRTKORDYUJC-LIRRHRJNSA-N	402.466	5.149	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nc3ccccc3s2)cc1F	438645112	CGMBSDCOQGMOQP-UHFFFAOYSA-N	418.453	5.421	30	20	HKED	
CCCCOC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	438667668	CIVCYMFXGOJTKH-UHFFFAOYSA-N	411.477	5.303	30	20	HKED	
CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CCC#N)c1ccccc1	438841941	QPJVLPRFPKLIDX-IBGZPJMESA-N	418.310	5.165	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1	438842253	RGVZVWSJYZGHBZ-YADARESESA-N	414.509	5.066	30	20	HKED	
CCCc1c(NC(=O)N(Cc2cccc(F)c2)C(C)C)cnn1-c1cccc(C#N)c1	439661543	HJCQCSYGXAUBMZ-UHFFFAOYSA-N	419.504	5.278	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1	441694473	YRDXATRSENDODI-HNNXBMFYSA-N	405.420	5.138	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c1	444826547	HYATVANRFBURJM-UHFFFAOYSA-N	405.498	5.503	30	20	HKED	
Cc1ccccc1C[C@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	444845916	IBMSFXUSWLRGHZ-KRWDZBQOSA-N	404.539	5.009	30	20	HKED	
C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1cccc(OC)c1	460786836	MUYQHNLQAMUOGO-BDTNDASRSA-N	424.589	5.123	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	463336498	NMCRCWYSRRIPPC-UHFFFAOYSA-N	419.481	5.433	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1cc(C(F)(F)F)ccn1	464420789	ZKGYDRSJGHLSOC-MRXNPFEDSA-N	418.321	5.661	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464462510	ABULYNMTVJTCSW-HNNXBMFYSA-N	419.403	5.085	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1	464936854	DFVRZOVNHHRVAX-MAODMQOUSA-N	400.444	5.497	30	20	HKED	
C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Cc1cccs1	466134709	QMPYLRIUEJPFQO-SFHVURJKSA-N	421.541	5.349	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CCCc3sccc32)cc1OC	466446511	QJYYWJBFNXOFED-MRXNPFEDSA-N	408.361	5.251	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3cccc(Br)c3)CC2)cc1	466801670	MNETZGTVMBCMQT-UHFFFAOYSA-N	411.343	5.270	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1occc1COc1cccc(C#N)c1	466889550	ZMXQSPGFZTZZAS-WIYYLYMNSA-N	400.478	5.139	30	20	HKED	
C[C@@H](Cc1ccccc1Br)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	470794378	PRDHLWWDYYVTHA-AWEZNQCLSA-N	400.320	5.003	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(C)cc(C(=O)N(CCC#N)C(C)(C)CC)c1	471159448	GLNXKAMKCIJDQM-UHFFFAOYSA-N	424.589	5.084	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC)c1nc(-c2ccccc2)cs1	472803823	ASQUTPHTGFJGRW-AZUAARDMSA-N	420.534	5.150	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(F)ccc1I	476079855	MHPGGZDVXWQZAS-UHFFFAOYSA-N	423.269	5.535	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(F)c(F)c1	477732111	QRKASJATDCOQST-NRFANRHFSA-N	410.468	5.048	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccc(F)c(F)c1	483282970	HAMHCMMRKGYJJT-HXUWFJFHSA-N	403.429	5.110	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	485465887	NYGJAALLQBAHPP-GOSISDBHSA-N	404.535	5.430	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(NCc3c(F)cc(C#N)cc3F)cc2)cc1	485957223	MPZNKDJFSFFWLO-UHFFFAOYSA-N	407.420	5.100	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)[nH]c1-c1ccccc1	488228216	CPDCHGKQZRFTPL-HNNXBMFYSA-N	422.579	5.368	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F	490769111	MFEOUZNNCRTTHB-IBGZPJMESA-N	405.395	5.308	30	20	HKED	
FC(F)Oc1ccccc1[C@@H](NCc1nc(C(F)(F)F)cs1)C(F)(F)F	491354472	BVMPFXZPQIBEOO-LLVKDONJSA-N	406.298	5.157	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1cc(C#N)ccc1Br	491608633	ZXLSMEUAZQXNIL-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(CC(C)C)c1ccc(C#N)cc1	499304646	CGGIWEMJJCDRBY-UHFFFAOYSA-N	407.514	5.356	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NCC2CCCC2)cc1	503224386	INIDQUXCQCDUPC-KRWDZBQOSA-N	408.571	6.184	30	20	HKED	
CC(C)c1ccccc1N(C(=O)Cc1ccc(C#N)cc1)c1nc2ccccc2s1	504354781	CGSVNIBUGBNWQO-UHFFFAOYSA-N	411.530	6.199	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505849801	LDJDEIMVPREDNI-LBPRGKRZSA-N	404.326	5.255	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C1CCCCC1	506511801	QOPYGBTVVAJANU-KRWDZBQOSA-N	408.354	5.248	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	509986566	ZTMPEUMTHNGIGI-UHFFFAOYSA-N	421.566	5.132	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1	510851547	HFMIAZMSBJOCFF-GOSISDBHSA-N	421.545	5.174	30	20	HKED	
F[C@H](c1ccc(C(F)(F)F)cc1)c1noc(C[C@@H](c2ccccc2)C(F)(F)F)n1	512056524	IXRYWSFZAVRWLW-GOEBONIOSA-N	418.312	6.036	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	515686158	ZKMLOAISAWVLJP-UHFFFAOYSA-N	419.506	6.110	30	20	HKED	
N#CCCn1cc(CNCC2(c3ccc(Cl)cc3)CCC2)c(-c2ccccc2)n1	520694306	IGNZDVAKGDYXCM-UHFFFAOYSA-N	404.945	5.329	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1	521717467	YHAGMPLWGOBLHH-HOTGVXAUSA-N	401.329	5.197	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1OC(F)F	522769266	DCAVZWIZQPFFAG-UHFFFAOYSA-N	424.422	5.383	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc2cccnc12	523349886	QCRPWIKNHOZLMK-UHFFFAOYSA-N	414.278	5.357	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523514359	CUBJWTOFTSPHLZ-QFIPXVFZSA-N	419.912	6.012	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(Br)s1	524566425	UCAHURDFOJIZAW-LBPRGKRZSA-N	424.389	5.127	30	20	HKED	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)CO2	531659393	MBSJYSRDLFOXSH-NRFANRHFSA-N	400.503	5.023	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1	532578437	OCBFDLBPSZQPNJ-AEFFLSMTSA-N	413.974	5.020	30	20	HKED	
C[C@H](c1ccc(C#N)cc1)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1	533955318	GDDHHLWUENSKLU-QGZVFWFLSA-N	401.476	5.234	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nc2cc(Cl)ccc2s1	539146960	XCPYPLRVJBGEOF-AWEZNQCLSA-N	406.854	5.022	30	20	HKED	
FC(F)(F)c1cc([C@H](NCCCn2ccnc2)C(F)(F)F)cc(C(F)(F)F)c1	542124086	UGTRHDPLVUDVGN-ZDUSSCGKSA-N	419.291	5.204	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)n1	543045343	ACUIGGGRLIXFNU-SFHVURJKSA-N	408.910	5.641	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc1	545598733	MSRSGWCGJQZFQF-UHFFFAOYSA-N	419.428	5.121	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1c(-c2cccc(Cl)c2Cl)noc1C	557065667	ZQKVKVVXTWUVBY-UHFFFAOYSA-N	401.253	5.123	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ncc(-c3ccccc3F)s2)c1C#N	558948304	REZMOLIVLOKMLF-UHFFFAOYSA-N	410.499	5.067	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1	559169894	VHUCOJIQVBEPLH-FQEVSTJZSA-N	405.571	5.060	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc3nc(O)oc23)c1	562227064	PEZBSHVQHLBSJQ-UHFFFAOYSA-N	405.797	5.103	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3/C=C/c3ccccc3)cc2)ccn1	569747257	SYMKEDNEYUSZHL-YVWYTEFXSA-N	410.477	5.455	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(CC(F)(F)F)cs1	576497270	ANOHTUPOVQUSHY-UHFFFAOYSA-N	419.453	5.523	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H](c3ccccn3)C2)c1	590566265	XBZPSUTUHQSYMX-GOSISDBHSA-N	417.896	5.419	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)s2)c(C)c1	592974461	XVAPAEVRHOCIHE-OAHLLOKOSA-N	407.495	5.666	30	20	HKED	
CC(C)Oc1ccc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)c2ccccc12	603982584	JZRGWZPETBKVAB-UHFFFAOYSA-N	424.522	5.110	30	20	HKED	
CCc1cc(C#N)c(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)s1	604028697	IVOLPNJDOLKHHL-UHFFFAOYSA-N	421.469	5.506	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@@H]1c1cccc(F)c1F	607464613	XOAWYMVRMZFWAN-STPAWDDFSA-N	415.324	5.094	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCCC[C@H]1C	608918724	NVGQRQORVHKWTA-OAQYLSRUSA-N	418.585	5.053	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccc(F)c(F)c1	609389279	JPCSOYYKFMHLMP-KBPBESRZSA-N	406.523	5.649	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1	609434700	JYLCNGYGHRJGPH-SFHVURJKSA-N	401.535	5.992	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1Br	609593704	DZNQNAPGUYUTSY-NRFANRHFSA-N	421.294	5.023	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F	609696667	JEQRHCCWIQUHFR-LPHOPBHVSA-N	406.457	5.274	30	20	HKED	
CC(C)C[C@@H](C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	609792987	CIIUCXABTBXBHB-INIZCTEOSA-N	419.312	5.305	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CSc4ccccc43)c2)cc1	609807293	LOOWSYBVKHMTFL-QFIPXVFZSA-N	415.518	5.300	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609909721	RNPSGQVMUNNJDN-XMSQKQJNSA-N	414.480	5.702	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1)C1CC1	609929683	JNPFKJHYQWHZSG-MRXNPFEDSA-N	422.554	5.236	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1	610295361	IXFCFYQNWIYOTJ-OAQYLSRUSA-N	418.884	5.006	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1cccc(C#N)c1	610406737	KLILQHXSOVETPB-HNNXBMFYSA-N	400.320	5.002	30	20	HKED	
COCCN(CCC#N)C(=O)Nc1ccc(COc2cc(C)ccc2C(C)C)cc1	610559340	BCCVXTUPDNHMSJ-UHFFFAOYSA-N	409.530	5.091	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1cccc(C#N)c1	613450230	ZKPABOBXJFDJJO-DJJJIMSYSA-N	416.294	5.068	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1ccc2ccccc2n1	679405189	UQDZMKGCBFNEKY-CQSZACIVSA-N	419.200	5.506	30	20	HKED	
N#CCCCn1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c2ccccc21	683689714	JOWSTSUWQQSPKF-INIZCTEOSA-N	402.454	5.184	30	20	HKED	
CCN(C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@H](C)c1ccc(C#N)cc1	726480922	OKCYDNBFHJZMOK-UONOGXRCSA-N	406.382	5.884	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(OCC#N)cc1	727942244	YXLSAAGXKDHEKI-UHFFFAOYSA-N	406.313	5.016	30	20	HKED	
Cc1ncccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C/c2cccnc2C)C1=O	728786039	RCNFGWITQVWWRO-YBOYZMIGSA-N	405.501	5.385	30	20	HKED	
CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	729375912	WRJRNBDVORVQOZ-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730422015	RWWBCZLWQXKWIW-AVRDEDQJSA-N	418.518	6.145	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F	730689791	MEWOHOKWESOEOW-MELADBBJSA-N	420.246	5.718	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3cccc(F)c3)CCCCC2)ccc1OC	733230421	OZOQQWGILULCIX-OAQYLSRUSA-N	424.516	5.034	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccccc3)nc2)cc1	733680295	YUTKXJQEWOFEHQ-VGOFRKELSA-N	413.477	5.349	30	20	HKED	
C=CC[C@H](NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccncc1	734237114	LFRIOHUUBBSZPG-UPVQGACJSA-N	422.981	5.991	30	20	HKED	
CN(C)CC1CCN(c2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2)CC1	737443176	IHDVDWHOLGZLTR-UHFFFAOYSA-N	406.357	5.228	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	739156512	YRRKOZXGGMOSGD-KUHUBIRLSA-N	416.493	5.405	30	20	HKED	
COCCOc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3OC)cc2)cc1OC	741467455	LTOKVGFZRVDHES-UVTDQMKNSA-N	418.489	5.292	30	20	HKED	
O=C(/C=C/c1nccn1Cc1ccccc1)c1ccc(SCC(F)(F)F)cc1	741845378	ZSYQMNBRJGFYFE-ZHACJKMWSA-N	402.441	5.482	30	20	HKED	
COc1ccc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1C#N	742379312	VAEBLCDWVXADOD-UHFFFAOYSA-N	413.399	5.063	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1ccc2ccccc2c1OC(F)F	753136346	VQSDDVZDMOVQJR-SOFGYWHQSA-N	408.429	5.856	30	20	HKED	
N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	754522982	BTPQJLAUPBCCDS-ZDUSSCGKSA-N	400.265	5.099	30	20	HKED	
C=C(C)[C@@H](CC(=O)O[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)OCC	756567606	WGFKJOKJQOWQPW-XLIONFOSSA-N	410.436	5.007	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)Cc3cccc(OCC#N)c3)cc2c1	760750160	OYGYPBVNOIZCCP-UHFFFAOYSA-N	414.461	5.008	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2cccc(C)c2C)c1=S	765028047	IJGJGTSPQOPDOD-QFIPXVFZSA-N	419.598	5.464	30	20	HKED	
COc1ccc(C=NOc2ccccc2C(F)(F)F)c(OCc2cccnc2)c1	766452332	FIZLDTVWKNTSHN-UHFFFAOYSA-N	402.372	5.101	30	20	HKED	
N#CCSc1ccccc1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1	770180022	XPTCUHXPASCHPX-UHFFFAOYSA-N	405.350	5.461	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3cc(F)ccc3C2=O)cs1	773169922	BFQAQZPSBVZMMT-NVMNQCDNSA-N	414.845	5.236	30	20	HKED	
C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1cccc(NC(=O)c2ccccc2)c1	774863768	MPJXUWORBFYZEQ-QGZVFWFLSA-N	419.912	5.345	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-n2cnc3ccccc32)cc1	778287665	CMHGDUJLSLDNFL-FQEVSTJZSA-N	418.456	5.021	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	789452153	QSPWKYNBCZYDQV-NRFANRHFSA-N	408.542	5.457	30	20	HKED	
C[C@@H](Cn1ncc2ccccc21)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	793122478	AWDBDHAWTPWOJZ-KSSFIOAISA-N	420.925	5.326	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N(CCC#N)c3ccc(F)cc3)ccc21	793462513	WDTRFABQYGKXOY-UHFFFAOYSA-N	423.488	5.074	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	793947126	DSABGNFXRGABLJ-HKUYNNGSSA-N	400.563	5.513	30	20	HKED	
Cc1c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cccc1[N+](=O)[O-]	796798244	PFQLRHQWOYRSDK-INIZCTEOSA-N	411.870	5.099	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1	796798982	OTHSZVOLMNYSPC-VYDXJSESSA-N	416.399	5.105	30	20	HKED	
O=C(/C=C\Sc1cc(F)ccc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	797836877	AYEBJWFIEROWRI-BZDJSAGESA-N	419.337	5.160	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2Cl)CC2CC2)c1	805114813	ZOBVTHBAOOMJDZ-HXUWFJFHSA-N	411.933	5.143	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(Cl)c(O)cc2F)cc1	805256318	DNUOENOUICWGQG-UHFFFAOYSA-N	412.873	5.601	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	806245481	ZJESODHKMGKOQN-JOCHJYFZSA-N	411.505	5.003	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Oc3cccc(Cl)c3C2=O)cs1	811697631	DINKNCGXNKLTHJ-MFOYZWKCSA-N	414.845	5.236	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1	815595322	ODSXLIWAKGIFFY-UHFFFAOYSA-N	415.584	5.385	30	20	HKED	
FC(F)(F)c1ccc(-c2ccc(C=Nn3c(S)nnc3[C@@H]3CCCO3)s2)cc1	818260632	VHTVODKBDFEFJT-AWEZNQCLSA-N	424.473	5.048	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)n1	915099221	MNDXQYDTGQZSMW-MRXNPFEDSA-N	421.572	5.844	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	915353909	RHSYMEWSRRMWSB-QFIPXVFZSA-N	415.493	5.071	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(F)cccc2s1	916928459	LTCLQIDBQBSVEP-NSHDSACASA-N	407.253	5.308	30	20	HKED	
CCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917044048	PDUBRRPBNUSOEM-INIZCTEOSA-N	412.898	5.188	30	20	HKED	
CCCn1cccc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O	918153630	IDDXTPJTEWRGQO-UHFFFAOYSA-N	410.930	5.181	30	20	HKED	
CCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H](C)c1cc2ccccc2o1	920087302	KCOAZGVNRVTAKR-WBVHZDCISA-N	403.507	5.302	30	20	HKED	
CCc1ccc(C(=O)/C=C/c2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])s1	921265737	RHGKDYNOTYZQLG-GQCTYLIASA-N	415.389	5.065	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1	1787872989	QAUFNELSTBMWGT-SFHVURJKSA-N	408.464	5.231	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccsc4[nH]3)CCC2)cc1	1791730358	FAOIOLBSDZJHOC-UHFFFAOYSA-N	419.550	5.171	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(CC)cc3)n2)nnc1-c1ccncc1	8572241	WSQLLADAJJVYDC-UHFFFAOYSA-N	419.579	5.504	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(C)c2C)cc1	10168037	RIXFPCJEOFRHGW-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1cc(C)cc(C)c1	10172509	AIRJDEKBGRSSCB-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCOc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccccc2F)cc1	15241242	IBHOCNZIDMUEOL-INIZCTEOSA-N	421.501	5.008	30	20	HKED	
C=CCn1c(SCc2nc(Cc3ccccc3)no2)nnc1-c1ccc(Cl)cc1	31651033	BWTYWBKLFJSVFE-UHFFFAOYSA-N	423.929	5.051	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccccc3)no2)cc1	55823954	CFJJQXZAWSARAN-UHFFFAOYSA-N	409.445	5.239	30	20	HKED	
C[C@H]1CCC[C@](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)(N(C)C)C1	63802854	JHFGRNJWBHOIJC-DFBJGRDBSA-N	421.610	5.091	30	20	HKED	
CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccc(C#N)c(C)n1	72029065	KPLWFXPFISRLFY-HSZRJFAPSA-N	405.448	5.334	30	20	HKED	
CCC(C)(C)C1=C/C(=C2\C=C(C(C)(C)CC)C(=O)c3ccccc32)c2ccccc2C1=O	100302788	WCHVKZNNCBGHEU-VHXPQNKSSA-N	424.584	7.715	30	20	HKED	
CCN(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1	110982919	FHLRAIZEMWVBNM-MRXNPFEDSA-N	414.534	5.106	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)s2)o1	195662703	LGVKXBOMKCXJJA-CQSZACIVSA-N	406.492	5.029	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1ccccc1F	215696026	IYVDTXVTBWDZET-UHFFFAOYSA-N	418.497	5.750	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CC#N)c3ccccc3)cc12	302380971	WOQGMVPOVYWYDC-UHFFFAOYSA-N	420.925	5.278	30	20	HKED	
Fc1ccc([C@@H](CC(F)(F)F)N[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1	427520593	BGHDTOCSIMOOSM-IAGOWNOFSA-N	406.345	5.900	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1	429075785	KYXXSXLFXDRROR-PXNSSMCTSA-N	404.539	5.524	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1	429845629	BGDNVDQDDLVRLF-INIZCTEOSA-N	405.548	5.284	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F	432454835	NYZMYVNUBHMYBC-HKBOAZHASA-N	415.459	5.204	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	433133236	NUEODNHHXHUUCA-UHFFFAOYSA-N	410.371	5.045	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cc(F)c(Br)cc1F)c1ccccc1	433281778	KLRUHQVRRDXUOB-MRXNPFEDSA-N	408.246	5.284	30	20	HKED	
N#CC(CCSc1nnc(C(F)(F)F)s1)(c1ccccc1)c1ccccc1	434650692	PUGMNWTULXNIPB-UHFFFAOYSA-N	405.470	5.549	30	20	HKED	
CCCc1c(NC(=O)c2ccccc2COC(C)(C)C)cnn1-c1cccc(C#N)c1	440085471	AUIISOWNFXFWGM-UHFFFAOYSA-N	416.525	5.264	30	20	HKED	
CCCc1c(NC(=O)c2cccc(C)c2Br)cnn1-c1cccc(C#N)c1	440089319	QJHXRHIQFZYLAR-UHFFFAOYSA-N	423.314	5.020	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c(F)c1	445773545	CYIAPKYWLKHFBJ-UHFFFAOYSA-N	409.392	5.505	30	20	HKED	
CC(C)(C)[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1	448018614	PVCAQOMMXNBWRN-PZJWPPBQSA-N	411.933	5.274	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1)c1ccccc1	448456675	LSVLIPABXSPZHN-AWEZNQCLSA-N	401.388	5.362	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C(F)F)cc1	460681167	VFSZHJPWRHHAPL-UHFFFAOYSA-N	401.482	5.581	30	20	HKED	
C[C@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1cccc(C#N)c1	462415390	OBVIOJKUPRQUNK-ICJFFHGUSA-N	421.972	5.045	30	20	HKED	
Cc1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(OCC(F)(F)F)c1	463578469	OYDHLYSBCUHJQW-UHFFFAOYSA-N	413.264	5.485	30	20	HKED	
CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	465664849	UBFOYYVYNQBMMZ-WUZYXKQASA-N	419.525	5.138	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)cc1	468253052	OIWWKSTUXGPUGF-IBGZPJMESA-N	416.502	5.180	30	20	HKED	
COc1ccc(C[C@H]2CCCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)cc1	469463161	RKGDGNPQYDWBKT-OAQYLSRUSA-N	415.537	5.049	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cn3)cc2)cc1	469479159	CCTLODRIUNABGU-UHFFFAOYSA-N	405.841	5.001	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	470627376	PSDLZQDPRPPTEB-YVEFUNNKSA-N	408.807	5.417	30	20	HKED	
C=CCN(C(=O)c1ccc2nc(C)oc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	470734998	DQQWYROPMLFPHW-UHFFFAOYSA-N	420.450	5.001	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1	470776346	HCIMSHQCGQJSMZ-LJQANCHMSA-N	416.502	5.129	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1	470796375	WETIMDKLQMZCCF-KRWDZBQOSA-N	418.324	5.480	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(F)(F)F)ccc1F	471362493	OIOQLPMFHJIZEV-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	473761205	LYBYJLQYIWWIOT-UHFFFAOYSA-N	424.925	5.090	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	475525387	JSIOVFAXLPQUJR-AUSIDOKSSA-N	416.500	5.357	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	475558027	GQECCCIYDPDIBM-UHFFFAOYSA-N	403.526	5.485	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1	475582427	NFXVBYWAURTGCB-IBGZPJMESA-N	423.626	6.285	30	20	HKED	
Cc1c(F)ccc(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	475598921	GNHJJLPWNWOFBJ-UHFFFAOYSA-N	412.823	5.630	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(-c2cccnc2)cc1	475611006	IHXUCWJOPNZNJR-CQSZACIVSA-N	408.408	5.104	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(C(C)(C)C)o2)nnc1-c1ccc(Cl)cc1	476455729	DZBVEJSTRURDOG-CYBMUJFWSA-N	402.951	5.923	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]1c1ccccc1	480311753	CKMVWQNZOWNMSG-DFBJGRDBSA-N	411.505	5.557	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccnn2C2CCCC2)cc1Cl	480793830	HOCMWCYJFHUSOK-FQEVSTJZSA-N	404.901	5.559	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)sc2ccc(C#N)cc12	481009637	WPLGQKVCPRHULA-UHFFFAOYSA-N	402.475	5.223	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12	481893702	DTPZNHQFBXUDGM-UHFFFAOYSA-N	410.477	5.122	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	482005782	ZIHMRMDZJVRQMT-HXUWFJFHSA-N	405.885	5.937	30	20	HKED	
N#CCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)OCCO2	486218036	GURBQCBRRWSOPV-UHFFFAOYSA-N	424.909	5.400	30	20	HKED	
O=[S@@](Cc1cccc(OC(F)F)c1)Cc1cc(F)c(C(F)(F)F)cc1F	487474306	NWERAQFNFXXQDM-SANMLTNESA-N	400.315	5.034	30	20	HKED	
Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	491496506	VOLCKARDRIJZQM-VGOFRKELSA-N	423.582	5.041	30	20	HKED	
C=CCCOCCCCC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1	497854970	YJYSCYJEGQIKLG-IBGZPJMESA-N	413.480	5.147	30	20	HKED	
CC[C@H](C)Oc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	501455473	AGVREUNCNPBGPK-IBGZPJMESA-N	416.525	5.510	30	20	HKED	
N#Cc1cn(CC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(Cl)cc2c1=O	502819259	CFUFPVPHYDGHMI-UHFFFAOYSA-N	414.848	5.202	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c12	505451008	KSJQPENKEFCOCD-CQSZACIVSA-N	412.405	5.237	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1	505927929	GFXRSWWKTCGZAA-VYDXJSESSA-N	412.333	5.209	30	20	HKED	
N#C[C@@H]1N(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CCC[C@]12CCCCO2	509657656	LCPAWOVMMYRASD-PZJWPPBQSA-N	400.931	5.136	30	20	HKED	
N#CCCn1cc(CNc2ccc3nc(C(F)F)sc3c2)c(-c2ccncc2)n1	513016541	JZXUJMWXUUQCFM-UHFFFAOYSA-N	410.453	5.018	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	513143854	PWXPNHLDGNTWGG-FQEVSTJZSA-N	421.378	5.041	30	20	HKED	
C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1	513237075	TUBYCKMDZVEVHF-SFHVURJKSA-N	417.484	5.396	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(OC)cc2)cc1OCC	517552818	FULRKSDJDPHVFG-HNNXBMFYSA-N	420.347	5.272	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[nH]c2c1C(=O)CCC2	521475090	PSYKVQRBROVWJL-SFHVURJKSA-N	417.896	5.403	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(COc3cccc(C#N)c3)c1)CCC2	522304013	JVBAAHLVOIIVHV-QFIPXVFZSA-N	417.534	5.052	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC2(c3nccs3)CCCC2)c1	522583493	CHNIYOCONLIZFP-UHFFFAOYSA-N	423.925	5.660	30	20	HKED	
N#CC1(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CCCCC1	522632903	XZPOQRBPPIKBFG-UHFFFAOYSA-N	417.296	5.053	30	20	HKED	
N#Cc1ccccc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1	525085346	ADDZDPASXWIJEX-INIZCTEOSA-N	409.561	5.151	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl	530511420	AMPMNFXIPQBABF-UHFFFAOYSA-N	405.325	5.214	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(Cl)cccc1Cl	531099051	MITFWVPDIKBZOS-UHFFFAOYSA-N	411.288	6.005	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1csc2ccccc12	532471474	LGRCXQRLJSFGDX-INIZCTEOSA-N	409.580	5.366	30	20	HKED	
N#C[C@@H](C(=O)c1scnc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	534105340	FUHQFIITAJQJHY-LBPRGKRZSA-N	420.346	5.941	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cccc1-c1ccccn1	534352755	KJMGSSLVFWXVNK-UHFFFAOYSA-N	411.383	5.122	30	20	HKED	
C=CCN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nc2c(s1)CCCC2	536170549	WQYXOBLFANGZAS-UHFFFAOYSA-N	417.534	5.107	30	20	HKED	
C=CCC[C@@H](NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)c1ccccc1	537158466	CLLMWTCLCZNKFS-JOCHJYFZSA-N	419.594	5.738	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1c(F)cccc1Cl	537174435	LYMPSEDNIOUOIV-ZIAGYGMSSA-N	405.926	5.020	30	20	HKED	
N#CCCn1ccc(NC(=O)N[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)n1	539010786	OSBZPUHUUNOPII-AEFFLSMTSA-N	419.451	5.054	30	20	HKED	
O=C(Nc1ccccc1OC(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1	539365982	CQWULOFLEABRLF-UHFFFAOYSA-N	413.245	5.040	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1[C@@H](C)C1CC1	539631698	OMCUBILODCFXKR-SFHVURJKSA-N	414.509	5.060	30	20	HKED	
Cc1c([C@H](C)NCc2ccc(-c3ccccc3C#N)cc2)nnn1-c1ccc(F)cc1	540313341	HRIRPKVHWURCIJ-KRWDZBQOSA-N	411.484	5.104	30	20	HKED	
CC(C)(C)[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C(F)(F)F)c1	540403691	OSMHZQSXPRNDML-LJQANCHMSA-N	414.431	5.504	30	20	HKED	
Cc1ccc([C@H]2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)C2)cc1	541506182	STVPISACUDABJR-QHCPKHFHSA-N	412.537	5.019	30	20	HKED	
COc1cccc([C@H](CNc2cc(C)nc(C#N)c2)c2c[nH]c3ccccc23)c1OC	553249641	RVUFXTBDVLFUQY-QFIPXVFZSA-N	412.493	5.004	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1	560599679	RKQLDYIZBFVBEU-UHFFFAOYSA-N	415.883	5.585	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(Br)ccc1OC(F)F	561144656	LJFZPDICTNNUHV-QGZVFWFLSA-N	407.258	5.089	30	20	HKED	
C=CCC[C@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccccc1	567066656	WYHXTHLHWAYHIE-NRFANRHFSA-N	412.961	5.440	30	20	HKED	
C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1c1cccc(F)c1	583231721	NCGMRHTYDJFLMS-SEVLPDGMSA-N	412.553	5.109	30	20	HKED	
C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](OC1CCOCC1)c1ccccc1	589586027	ZMZLRYJQGFIHSC-VFNWGFHPSA-N	404.432	5.314	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@H](C)c5ccc(C#N)cc5)(C4)C2)C3)cc1	603510033	YTFBSPLXOVVKNW-FQNDFFIISA-N	414.549	5.282	30	20	HKED	
N#Cc1ccnc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1	603726968	SWOGPKVHWOKYIA-LJQANCHMSA-N	413.424	5.444	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(-c2cccs2)n1	603968463	VQMWCMCRVIYVHP-UHFFFAOYSA-N	407.545	5.653	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	604929704	OOZWTMMMEXONAF-OAQYLSRUSA-N	423.859	6.042	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1	608995425	PIUGZICBOBZTPK-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1C(F)(F)F	609058723	NCOYMKDBDQQDOU-CQSZACIVSA-N	414.383	5.240	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1	609062300	CANHRPFNWJISMO-UHFFFAOYSA-N	410.395	5.717	30	20	HKED	
Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1	609062596	WEHIUGMOIYHPMG-KRWDZBQOSA-N	422.916	5.194	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]c2cc(Cl)ccc12	609072541	PQDJIXXAQBAZAH-UHFFFAOYSA-N	415.880	5.833	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1ccccc1OC	609401896	IBKWPBCWBWXFCV-ZWKOTPCHSA-N	411.571	5.952	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCS[C@H](c3ccccc3)C2)cc1	609807795	PPACWMMNHMPLNF-QHCPKHFHSA-N	415.518	5.673	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1NC(=O)CC(C)C	610227877	OPJHQNDOIORWHQ-INIZCTEOSA-N	409.555	5.484	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)c1ccc(C#N)cc1	610252692	ZWXPQIDKRFHOHA-UHFFFAOYSA-N	401.413	5.286	30	20	HKED	
CC(C)C[C@H](C#N)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	611250529	FSJAWURIAPEBOR-YGAHKIJPSA-N	424.429	5.163	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	611556793	MSYCGFBZMUKIST-ZBFHGGJFSA-N	403.404	5.545	30	20	HKED	
O=[N+]([O-])c1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(OC(F)F)c1	612778484	DFRWHYJNXMGDNE-YUMQZZPRSA-N	422.272	5.518	30	20	HKED	
C=CCN(C(=O)c1ccc(COc2ccccc2)cc1)c1nc2c(s1)CCCC2	623331558	IRTNLJKVQIEUOX-UHFFFAOYSA-N	404.535	5.434	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cc(C(F)(F)F)ccn1	643777184	XCRBRDOHIXZHCQ-GFCCVEGCSA-N	423.366	5.652	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2cc1OC(F)F)c1nc2cc(F)ccc2s1	677791668	PVLNKVZPLQCUSB-OAHLLOKOSA-N	412.392	5.680	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](OCCC)CC1	685540293	NPSAPOURLODWLY-LEWJYISDSA-N	412.578	5.006	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3ccsc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727267418	TVAGXAPZCCSRLT-ARJAWSKDSA-N	415.452	5.201	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc4c(c3)CC(C)(C)O4)c(=O)c2c1-c1ccccc1	729143465	IKSWQRXZKYRFGF-UHFFFAOYSA-N	415.518	5.029	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2c(F)cccc2-n2cccn2)cc1	730196053	NOGZNFFIISWVJA-UHFFFAOYSA-N	416.387	5.067	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc(C)c1OC(F)F	730920601	PMFMZJIIPZRBBL-SFHVURJKSA-N	408.404	5.019	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	732494835	OIDCWVKGDIUXCY-DYVFJYSZSA-N	420.506	5.077	30	20	HKED	
COc1ccc(OC(F)F)c(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)c1	732926323	MLCFERUCBNWYQR-UTCJRWHESA-N	416.392	5.516	30	20	HKED	
CCCCCC[C@](C)(CCC)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	742605348	QYFUSIHKGJNIGL-VWLOTQADSA-N	411.590	5.512	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	743449942	WLYYTUTWYDKKPU-CQSZACIVSA-N	416.289	5.078	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2c2cccc(C)c2C)c1	745820616	LOFAIRBJJNDGCE-QPPBQGQZSA-N	405.542	5.421	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1cccc(Cl)c1	750681925	SEVRWQICDPDFLR-ONOODXEBSA-N	423.925	5.209	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc3cccc(OC)c3o2)ccc1OCC(F)(F)F	750904520	WTYICEIDRBWBAW-VURMDHGXSA-N	406.356	5.287	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cs1	750916719	OOZZLWZJIUKIDM-MDWZMJQESA-N	408.495	5.043	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCCSCc1ccnc(Cl)c1	758661599	ZFZPUROKKHFOBF-UHFFFAOYSA-N	416.399	5.081	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1	762997772	ZLTZLEDKNOEGHR-INIZCTEOSA-N	423.469	5.320	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1	766840855	KNDDCOCHQKQRMY-DUOKCRBOSA-N	414.427	5.068	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1	767044078	HHVFMDZIGAVVKY-CQSZACIVSA-N	402.288	5.209	30	20	HKED	
N#CCCn1cc(CNc2cccc(C3SCCS3)c2)c(-c2ccccc2)n1	770513620	YGAIIMPGJSDBCV-UHFFFAOYSA-N	406.580	5.554	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1NC(=O)OC(C)(C)C	772545030	FFYVGAXGKXPIHV-SFHVURJKSA-N	401.466	5.380	30	20	HKED	
C=CC[C@H](OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1	778739925	URLZGWXUDXVMIW-KRWDZBQOSA-N	400.887	5.343	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Cl)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	780314081	VMKZQOYBTXPFPD-NSHDSACASA-N	408.697	5.655	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O	789719349	ODTALGOLPRCGMR-UHFFFAOYSA-N	424.541	5.515	30	20	HKED	
Cn1nccc1[C@@H]1CCCC(=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)C1	794980934	IJQKWUPDODNLCL-OAHLLOKOSA-N	414.435	5.022	30	20	HKED	
CC(=NOCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1F	795246791	USMUMUJWIMISPY-UHFFFAOYSA-N	424.657	5.232	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)[C@H]3OCCc4sccc43)n2)cc1	796764062	OHOFPIWHCNOIHT-SOIKWTOOSA-N	408.548	5.306	30	20	HKED	
Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	800144228	VKCSZMBJMKBWCB-UHFFFAOYSA-N	407.426	5.318	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc2c(C)cc(O)nc2c1	807962765	GNLZKXLVJYWGTP-UHFFFAOYSA-N	411.914	5.087	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1	810158782	TZHWPSNUWBKQAW-VWLOTQADSA-N	411.505	5.492	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C	916845211	QNXUSUCRMCKUNM-YPMHNXCESA-N	404.322	5.237	30	20	HKED	
Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(N2CCCCC2)o1	917570814	NDDXGFUEIPGEJV-UHFFFAOYSA-N	422.341	5.006	30	20	HKED	
N#CCOc1ccccc1C(=O)N(CCc1ccccc1)c1nc2ccccc2s1	919976916	PCTXIYOAYYIUOA-UHFFFAOYSA-N	413.502	5.088	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	921011121	PEAXANIBIYRGBO-VWLOTQADSA-N	423.472	5.253	30	20	HKED	
COc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1-c1cccc(Cl)c1	921256868	CIVSWMDZTNPTMB-UHFFFAOYSA-N	413.717	5.085	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccccc2)CC1	1828829536	IXDLTJPUVSLLIH-GPUOULLFSA-N	422.613	5.178	30	20	HKED	
C=CCN(C(=O)c1oc2ccc(CCC(C)=O)cc2c1C)c1nc2c(s1)CCCC2	15968767	ZDEGHHVTOCFKTG-UHFFFAOYSA-N	422.550	5.431	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccc(C)c1	17708663	YZCJKUGAWILAFM-QGZVFWFLSA-N	417.538	5.651	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)o1	51534620	BWPXBDWOMFTNSI-OAHLLOKOSA-N	405.504	5.634	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1F	111181924	SZUUXQCHEPPKRV-QGZVFWFLSA-N	418.255	5.101	30	20	HKED	
C[C@H]1CCc2c(sc3nc(SCCCCC#N)n(Cc4ccco4)c(=O)c23)C1	195538987	GLDKJMYMRMXTDB-AWEZNQCLSA-N	413.568	5.010	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	303651302	UFDDJMUMEPILCM-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CC(F)(F)F)cc1	303836191	HNGPOOLUAYEPHN-UHFFFAOYSA-N	412.436	6.067	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	303844590	MMWXFQMJDXJESL-UHFFFAOYSA-N	405.885	5.455	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	428495328	CSXJSASCIZQGQM-UHFFFAOYSA-N	423.314	5.041	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1	431851098	ZHUMICCAEAROGR-UHFFFAOYSA-N	403.507	5.142	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)[C@H]1OCCc2sccc21	431945708	JSCQSGCTWINCOA-YCRPNKLZSA-N	419.506	5.004	30	20	HKED	
C[C@@H](c1ccccc1)N1CC(=O)N([C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1=O	432080335	NZDVGZDABQBQSJ-RBUKOAKNSA-N	409.489	5.312	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1	432757129	KRXGQWNYUPXDTA-DEOSSOPVSA-N	410.477	5.907	30	20	HKED	
C=CCn1c(Sc2nc3cc(Cl)cc(Cl)c3o2)nnc1-c1ccccn1	432816986	ADRRCQCPGFATBL-UHFFFAOYSA-N	404.282	5.125	30	20	HKED	
CCCN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1c(F)cccc1Cl	435139831	QFLFAORPVQTHHV-UHFFFAOYSA-N	411.912	5.063	30	20	HKED	
CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1C#N	436006978	LLRZLAOZNVIVFX-UHFFFAOYSA-N	406.713	5.526	30	20	HKED	
COc1ccc(-c2ccn(-c3ccc(S[C@H](C)c4cccc(C#N)c4)nn3)n2)cc1	436244066	XPQLUVCEYSYEOJ-MRXNPFEDSA-N	413.506	5.063	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c(Cl)c1	437577909	IVDGDGVDQSEMQL-DOTOQJQBSA-N	405.832	5.245	30	20	HKED	
COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	438052385	XDVMWGWIKCLBGY-OAHLLOKOSA-N	411.527	5.033	30	20	HKED	
C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1cccc(C#N)c1	442908844	OXHFTTGEAIABHN-CABCVRRESA-N	411.962	5.268	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2c1	443576310	JYBPSKAFTNUUFS-WIOPSUGQSA-N	411.505	5.033	30	20	HKED	
CC(=O)Nc1ccc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	444459189	SHGBFXXIVWUFPQ-GOSISDBHSA-N	409.898	5.220	30	20	HKED	
CC[C@@H](N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21)c1ccc(C#N)cc1	447536737	POSUXOVEGLYMDF-NHCUHLMSSA-N	403.551	5.809	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(Br)c1	462444951	GIRVJRBRIJYOKB-AWEZNQCLSA-N	422.282	5.250	30	20	HKED	
C[C@H](C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(C#N)c1	462593829	OKLJOAIGWSNOIE-ZBEGNZNMSA-N	400.322	5.100	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	468201332	LTBXFUBYUGLJIP-NXEZZACHSA-N	407.285	5.327	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCSc4c(Cl)cccc43)ccc21	469277805	RWXZALWUJVTHAZ-LJQANCHMSA-N	411.958	5.572	30	20	HKED	
CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	470972218	REVFMJIESDGLPL-UHFFFAOYSA-N	421.384	5.049	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(C(F)(F)F)c1	471263097	PMSCLWMYSXLGRV-GFCCVEGCSA-N	421.444	5.310	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1	471370042	JWVQTLHMRWGVHY-UHFFFAOYSA-N	421.541	5.277	30	20	HKED	
C=C(C)[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)c(F)c1	476843808	JYUCGLPLUSWBFH-YUXAGFNASA-N	400.469	5.049	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2)cc1	483197404	KQFIZSWSBMAXSN-DEOSSOPVSA-N	403.441	5.583	30	20	HKED	
O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	486440996	DHLHZASSSGZOKN-JKSUJKDBSA-N	422.344	5.465	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccccc1C	488924612	ZNGQAOMSWIOINY-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CCCC1	496335096	ZLFVILJCELZUNN-UHFFFAOYSA-N	408.449	5.031	30	20	HKED	
N#C[C@H](NC(=O)c1ccnc(SCC(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	496535753	NNSHJHQPZPTJKK-ZDUSSCGKSA-N	420.243	5.037	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1	497992157	ZAJPRBXELSVCMT-UHFFFAOYSA-N	415.499	5.227	30	20	HKED	
C[C@H](Cc1cnc2ccccc2n1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	498949979	XXNPOBLOAXIDTE-RTBURBONSA-N	420.516	5.224	30	20	HKED	
CC(C)CCOC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1	500557880	KFWREANCXSLGNS-UHFFFAOYSA-N	408.567	5.377	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1	502101509	RMHOPZOBQRTWFX-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1	503374546	OLFXIMKHGQIQHZ-DEOSSOPVSA-N	417.557	5.045	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](c4ccccc4F)C3)cc2)cc1	504059621	RXLKUFNEXVTJIR-GOSISDBHSA-N	401.441	5.511	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(Cl)s3)c2)cc1	504787441	STEWRSZFROQKTG-UHFFFAOYSA-N	411.914	5.368	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1	506299021	DHMVKOAPKMPTDN-UHFFFAOYSA-N	414.303	5.399	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1	511010683	HWOUAVFRHNZYQF-LJQANCHMSA-N	401.304	5.383	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCCc3c(F)cc(F)cc32)c1	512347392	SJOQSUHVNFRVBH-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1	512529970	WVMQLUNNGRFMLE-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	513333972	SCPROECFVQODDW-HRAATJIYSA-N	402.523	5.221	30	20	HKED	
C[C@H](NC1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCC1)c1ccccc1	517618562	ONUJJUBEWIBZHJ-IBGZPJMESA-N	404.558	5.273	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1	519889260	DRBVYXUCGBGJKH-INIZCTEOSA-N	401.457	5.088	30	20	HKED	
C=CCn1c(S[C@H](CC)C(=O)c2ccc(OC)cc2)nnc1-c1ccc(F)cc1	521719037	BZJRSOYYHKJWDR-LJQANCHMSA-N	411.502	5.032	30	20	HKED	
COc1cc(COc2ccc(C#N)cc2Cl)ccc1OCc1cccc(C#N)c1	522571885	DVPAFTNMTLZAGH-UHFFFAOYSA-N	404.853	5.250	30	20	HKED	
Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	524414261	RSVDHHPGVHMFQV-UHFFFAOYSA-N	412.489	5.356	30	20	HKED	
COc1ccc(C(=O)N2CCCCCC2)cc1NCc1cccc(OCCCC#N)c1	532728990	DOFOJVJNLLPWNY-UHFFFAOYSA-N	421.541	5.006	30	20	HKED	
C=CCN(C(=O)[C@H]1CCC(=O)[C@@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	537096372	RPOJMBVLDZDYBC-JSGCOSHPSA-N	423.365	5.641	30	20	HKED	
N#CC1(CCCSc2nnc(-c3ccccc3)n2-c2ccccc2)CCOCC1	537467127	LQYFTGGZQRUTPV-UHFFFAOYSA-N	404.539	5.127	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1c1cccc(F)c1	542955648	DYJPYKYKHCTFRQ-QKKBWIMNSA-N	423.879	5.151	30	20	HKED	
C=CCN(C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1	543454357	XYVNHMYIYWKHRJ-NBVRZTHBSA-N	404.535	5.413	30	20	HKED	
N#C[C@H](C(=O)c1cncc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	543985920	FFBXDPXTPAJDIP-MRXNPFEDSA-N	424.312	6.155	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOCC3(CCC3)C2)cc1Cl	546130051	NWURWWDROMROBI-FQEVSTJZSA-N	409.917	5.030	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(OCc2cccnc2)c1	558287603	FJMYNTBHTKYWSK-UHFFFAOYSA-N	419.529	5.048	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(CCc3ccc(F)cc3)C3CC3)cc2)ccn1	562104669	DRKYVPJXFDTVFI-UHFFFAOYSA-N	416.456	5.124	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)n1	564192472	GFVBKNCZLFPKLJ-GGAORHGYSA-N	415.537	5.571	30	20	HKED	
C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H]1c1cccs1	565509794	XAKSNFLRFVWDIM-SFHVURJKSA-N	403.511	5.189	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1	568353687	QKYDVNNAUPRZIJ-IBGZPJMESA-N	412.470	5.240	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	568452895	SPOASUNCGQYIDZ-UHFFFAOYSA-N	413.437	5.072	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)o1	571306719	CFGIRYFWJNMWDF-ZRBLBEILSA-N	412.489	5.139	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1	577910019	QBTBOUNLXNRHJV-UHFFFAOYSA-N	413.905	5.699	30	20	HKED	
N#CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1)c1ccccc1	580579415	CMOJOMPZVNDOIU-QFIPXVFZSA-N	417.896	5.107	30	20	HKED	
CC1CCN(Cc2ccccc2CNCc2ccc(C#N)cc2C(F)(F)F)CC1	584867878	OHKDUIFPYFWZRD-UHFFFAOYSA-N	401.476	5.099	30	20	HKED	
CC(C)(C(=O)N1CCC[C@](C)(C#N)C1)c1csc(-c2c(F)cccc2Cl)n1	589487124	BQFIMHMUMBLVFO-HXUWFJFHSA-N	405.926	5.032	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1ccc(Cl)cc1	592974709	XPRVOSNNGGMJOC-HNNXBMFYSA-N	410.861	5.073	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1	601187274	KELNJHFPMXTTTF-DEOSSOPVSA-N	411.505	5.249	30	20	HKED	
CCSCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	604005239	UUNCBMYGYJQSGS-UHFFFAOYSA-N	416.546	5.837	30	20	HKED	
C[C@H](Cc1ccsc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604230561	OFQMCKXIEPXIOW-QGZVFWFLSA-N	405.523	5.146	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC(c1cccs1)c1cccs1	606632673	KLWNCHXUQHHDST-UHFFFAOYSA-N	420.481	5.269	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)Cc2cc(OC)c(OC)cc2SC)c1	607397975	QTWICLMVJUOOPX-UHFFFAOYSA-N	416.543	5.045	30	20	HKED	
COc1cc(OC)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	609062895	MCFSZQYEDVKRBK-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	609387031	GZCLVMREFKOGII-ZIAGYGMSSA-N	409.471	5.070	30	20	HKED	
CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc2ccccc12	609502935	ZRSGKJSTZDKJLP-UHFFFAOYSA-N	407.473	5.956	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccccc1Br	609590306	HLOVSNQOBLIVQI-ZJOUEHCJSA-N	405.295	5.087	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1	609687915	XYEVHJNXXGGLDI-RUZDIDTESA-N	412.537	5.167	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(F)cc1F	610015274	BXCXPPBKGJDJLZ-FQEVSTJZSA-N	408.408	5.297	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1	610224987	SVZXAVDAOJDFRT-QGZVFWFLSA-N	404.897	5.727	30	20	HKED	
COc1ccc(COCCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	610313323	ICLWUHNQOBVDGK-UHFFFAOYSA-N	420.440	5.044	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1C	610527104	HFGCOOCDRFLBHA-HSZRJFAPSA-N	405.542	5.179	30	20	HKED	
N#CCn1c(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc2ccccc21	611356674	GPCXGPCREBHEIW-UHFFFAOYSA-N	411.427	5.203	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1	615000057	ZJEIQLYRPATVLU-UHFFFAOYSA-N	410.926	5.140	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H]3CCc4cc(C#N)ccc43)s2)cc1	618812704	WVPUELXPUDXBPD-KKSFZXQISA-N	416.550	5.346	30	20	HKED	
N#Cc1c(N2CCC[C@H](c3nc4ccccc4o3)C2)nc2c(c1C#N)CCCCCC2	619475962	MDUQGLVMVXGQLT-KRWDZBQOSA-N	411.509	5.009	30	20	HKED	
COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cs1	622255348	VSBUEOVYDXPAGP-ZDUSSCGKSA-N	424.432	5.054	30	20	HKED	
C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674459531	LJOADWXMFSVDPV-LPEHRKFASA-N	401.301	5.165	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683151191	RXNYLCUHXFFMRV-ZNSHCXBVSA-N	416.328	5.316	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCCc3cccs3)n2)cc1	731547620	OQEBVLHKUVTCKM-LJQANCHMSA-N	405.548	5.723	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)c([N+](=O)[O-])c1	733081402	XOAYDEQEDJMMPD-ALCCZGGFSA-N	415.814	5.176	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1	733852044	QPHYHTWIIBRROJ-XLIONFOSSA-N	420.538	5.024	30	20	HKED	
Cc1cc(NN=Cc2c(-c3ccccc3)nn(C)c2Cl)ccc1Br	734745641	KGVSQXKYHWIXCR-UHFFFAOYSA-N	403.711	5.257	30	20	HKED	
CCC[C@@H](NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N)c1ccccc1	735320441	SOFHLLPIUMMPBN-OXJNMPFZSA-N	416.974	5.522	30	20	HKED	
CC(C)c1cnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)n1C(C)C	739436865	ZHCOOWWDEAUERR-QGZVFWFLSA-N	424.595	5.679	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)Cc3ccc(OCC#N)cc3)cc2c1	739745669	NPNBAAISZBRSJB-UHFFFAOYSA-N	414.461	5.008	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc(F)ccc1F	741058629	GUFJWLCSTKYBEI-GMAHTHKFSA-N	405.448	5.893	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	742963170	QEPOCMCEWPLQJI-UHFFFAOYSA-N	412.852	5.252	30	20	HKED	
N#Cc1cc(NC(=S)NCC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)cc1	743011934	VGCSQFBYDNYHBX-UHFFFAOYSA-N	419.350	5.218	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1	743465638	OVSVOEXJNLXSRH-LJQANCHMSA-N	419.525	5.174	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Cl	744029268	RQTKPBPTYCJBQC-SFTDATJTSA-N	416.908	5.404	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1	746126382	YRDFEELKHHBOGX-IZZNHLLZSA-N	409.533	5.335	30	20	HKED	
COc1ccc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	747111275	CNOPRJVXNXYEBV-IBGZPJMESA-N	410.926	5.671	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCCCOc2ccc(Br)cc2)n1	747197562	HZPCLIFIUWWTTB-MRXNPFEDSA-N	421.360	5.455	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CCC(F)(F)F)c1	757246727	PBTXNZOBFKWOIT-KRWDZBQOSA-N	405.420	5.184	30	20	HKED	
C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CN1Cc1ccccc1	757772306	JCLCMLLARDKKRE-BQQUOAEZSA-N	424.548	5.127	30	20	HKED	
CC(C)c1ncc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)s1	758426244	HTJZLLJPMVTZMJ-SEYXRHQNSA-N	406.507	5.180	30	20	HKED	
CCCn1nc(C)c(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)c1C	759653616	PUSNBAJVFKYKJL-BQYQJAHWSA-N	400.372	5.009	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1	764779206	OYSCBLYKMURZSS-KKSFZXQISA-N	416.352	5.645	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@@H](C)c1ccccc1C(F)(F)F	766454234	UXGWYQYKGXUDHF-OLZOCXBDSA-N	409.383	5.061	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	772230657	NCUBZTYRDMXJIP-KXHCOYLBSA-N	403.526	5.011	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1	780486035	OYFFDGUKWZECAX-NBGIEHNGSA-N	411.505	5.275	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1c[nH]c2ccccc12	786361251	UIYHUJQVTWUNGM-DNVCBOLYSA-N	410.502	5.533	30	20	HKED	
N#Cc1ccc(-n2ccc(NCc3ccc(Cl)nc3C(F)(F)F)n2)c(Cl)c1	786773608	ZCDCNNZOJSDCEF-UHFFFAOYSA-N	412.202	5.077	30	20	HKED	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(-c2ccccc2C#N)cc1	789366674	URSPBVYRXOTHGQ-LJQANCHMSA-N	411.505	5.375	30	20	HKED	
Cc1cc(C(=O)NC2CCCCC2)ccc1NCc1ccc(N(C)CCC#N)cc1	789879193	SBGUSKGRDXONQJ-UHFFFAOYSA-N	404.558	5.020	30	20	HKED	
N#C[C@H](C(=O)/C=C/Sc1cc(F)ccc1F)C(=O)Nc1cccc2ccccc12	797942619	HKVFEJQGFADKFR-SXSDINLZSA-N	408.429	5.071	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)c1	805112770	DIAAWSFINDOTNN-HJOGWXRNSA-N	417.553	5.063	30	20	HKED	
C#C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1F	806265938	SVHHGVINMQLETQ-DYVFJYSZSA-N	401.894	5.369	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915087398	TVLOURMKYPVHFM-RUZDIDTESA-N	403.485	5.965	30	20	HKED	
Fc1cc2nc(NN=Cc3sc(Oc4ccccc4)nc3Cl)[nH]c2cc1F	915958950	FHBXRZWIJCCQRQ-UHFFFAOYSA-N	405.817	5.189	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])cc1	916135390	WVRRNZVQHDWNCZ-TWGQIWQCSA-N	415.268	5.377	30	20	HKED	
Cc1ccc(N2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1	918035906	NODZHQMYMDJOQF-SANMLTNESA-N	424.548	5.395	30	20	HKED	
C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	919904372	JKFPPXZKCBDTAK-HRAATJIYSA-N	421.447	5.209	30	20	HKED	
Cc1c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2ccc(F)cc12	920341610	BTCWAZIQKIFVMR-QFIPXVFZSA-N	413.452	5.858	30	20	HKED	
CC(C)(C)c1nc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cs1	920364691	HZOGUJOUUWVMPW-UHFFFAOYSA-N	412.371	5.177	30	20	HKED	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCc1nccn1C(F)F	923807539	UYPTURNBIOOIAH-OWOJBTEDSA-N	414.252	5.072	30	20	HKED	
CCC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)CCC1	1789203369	FSKYYEOMRFXWSU-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3CCSCC3)cc2)CCC1	1792349187	MLIMHVRJYXLCFN-UHFFFAOYSA-N	412.599	5.032	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1829066613	MGXFXZWJEFCNPI-GOTSBHOMSA-N	414.634	5.345	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)cc1	10173605	NQJBYRBYCPJCIC-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1cccc(C)c1	10241303	WADWQJVPIICHJW-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	56469799	CYPCYIXPBJCCQB-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1Cl	63389309	ABVOLMQNHXSFRF-UHFFFAOYSA-N	424.682	5.231	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1nc2ccccc2s1	63389623	MIHXLHVMJLGLPE-UHFFFAOYSA-N	424.529	6.055	30	20	HKED	
CCOc1cc(/C=C\C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC	98006453	MRTDMRBGWSSYOA-CKDIWJPDSA-N	412.917	5.242	30	20	HKED	
C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc4c(c2)OCO4)CC3)CC1	111194573	NIRLJGMHQIONFP-RGEXLXHISA-N	424.500	5.243	30	20	HKED	
CC(C)(C)C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1	111200865	OTDTVVCDCDJPGL-QFIPXVFZSA-N	423.532	5.146	30	20	HKED	
CCCC(=O)Nc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1	236757359	RYQFCJOHOMWAMI-UHFFFAOYSA-N	413.521	5.166	30	20	HKED	
N#Cc1c(Cl)nsc1NCc1ccccc1-c1ccc(Cn2ccnc2)cc1	301204605	QYYJUMPDHUFPPI-UHFFFAOYSA-N	405.914	5.192	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cnn1-c1ccccc1F	303038565	VRYZZNUZMPRFAJ-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1	303252862	CLPVFNRRGJPIES-HNNXBMFYSA-N	423.563	5.713	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)CSc1ccc(C#N)cc1	303303782	NEKLQGGNTIXLFS-UHFFFAOYSA-N	404.539	5.081	30	20	HKED	
Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	410288880	MBCSJSVMEQGLAO-NRFANRHFSA-N	420.900	5.105	30	20	HKED	
C[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)CCN1Cc1ccccc1	430661637	PYRXPYKNDNQLDB-REWPJTCUSA-N	409.533	5.008	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCc3cc(Br)cc(Cl)c32)c1	430944129	RVNDCZCAMZYTNK-UHFFFAOYSA-N	421.747	5.311	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](OCCCc2ccccc2)C1	431214002	QNWBGWSXPZJCFM-FPOVZHCZSA-N	423.582	5.336	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1	431586501	RRMNMLJXVKOFMK-SFHVURJKSA-N	402.267	5.023	30	20	HKED	
CC1CCN(C(=O)c2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1	432922430	NHRWTZOYNKZWOP-HSZRJFAPSA-N	418.541	5.115	30	20	HKED	
N#CCCn1cc(CN2CCc3cc(-c4ccccc4)ccc32)c(-c2ccncc2)n1	434987796	WFAHZSYIPNKKCX-UHFFFAOYSA-N	405.505	5.088	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	436329599	BQFFHORCORTWQQ-ZNLUXHQJSA-N	409.917	5.098	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	436335112	MCPUIKGDFTXQPC-PBFPGSCMSA-N	403.910	5.551	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	437515653	GHFVGENVPNIFDW-QVKFZJNVSA-N	420.513	5.360	30	20	HKED	
CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	437951313	WXMCMBMDBDOKRT-MRXNPFEDSA-N	415.534	5.272	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)Nc1cc(C#N)ccc1C	438845289	XYNIRPOCAFHOGS-UHFFFAOYSA-N	407.539	5.177	30	20	HKED	
CCCc1c(NC(=O)c2ccc(Cl)cc2SCC)cnn1-c1cccc(C#N)c1	440090885	VFXIPTVPGXPZNR-UHFFFAOYSA-N	424.957	5.714	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccco3)C2)cc1Cl	441214019	WWWZCQLTXWRCAD-KNQAVFIVSA-N	421.884	5.194	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H]3Cc3ccccc3)c2)cc1	443831090	SZLQITCWEIOZFN-XMMPIXPASA-N	411.505	5.181	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	464676667	HUXWHSYUVOKGGO-UHFFFAOYSA-N	408.889	5.157	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1	466094556	DIEXILQAMODELL-VWNXMTODSA-N	403.526	5.422	30	20	HKED	
COc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1	467071567	JGBVNWYPVAUZPL-SFHVURJKSA-N	419.893	5.510	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C	468340038	UJUWCCOZEMUERA-LJQANCHMSA-N	422.529	5.502	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1nc(C(F)(F)F)cs1	470667898	MDMCRGNQCKMMOP-UHFFFAOYSA-N	424.366	5.018	30	20	HKED	
Cc1ccc(-c2nnc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)o2)cc1	471637744	ZCNOXCXZGOTQEI-UHFFFAOYSA-N	400.413	5.460	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2cn(-c3ccccc3)nn2)cc1	471670630	UFYIHEBDMFSAKN-KRWDZBQOSA-N	411.465	5.113	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC(c4ccccc4C(F)(F)F)CC3)o2)c1	474233555	YKWJCRREGPRGGV-UHFFFAOYSA-N	412.415	5.007	30	20	HKED	
Cc1sc([C@H](C)NC(=O)NCc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	475122851	WMORKNDVKMIWAI-ZDUSSCGKSA-N	410.930	5.204	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	475546166	GPIZKWPWQSRGGB-HXUWFJFHSA-N	405.586	5.886	30	20	HKED	
CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	475760955	HHSQZAXIIAUBAV-HIFRSBDPSA-N	400.466	5.245	30	20	HKED	
Cc1nc([C@@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)oc1-c1ccc(Cl)cc1	477762924	HLIUEEUZIGPNFM-GCJKJVERSA-N	420.944	5.247	30	20	HKED	
C[C@@H](NCc1ccc(Cl)cc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1	480885351	PCCPQZPQVNBZGQ-MRXNPFEDSA-N	421.903	5.383	30	20	HKED	
CC(C)CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCCc2cccnc21	481422752	LSZSWUNHBRTCPS-DEOSSOPVSA-N	414.553	5.168	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1ccnc(C#N)c1	483630311	XWRRNSGWZGJQLP-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc(O)c(Cl)c1	486934848	HXECYWCVWLQDGH-UHFFFAOYSA-N	407.857	5.449	30	20	HKED	
C=CCc1cc(C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)cc(OC)c1OC	490154285	DTMPLMRHKLLXHB-UHFFFAOYSA-N	416.905	5.077	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	497370384	YDPSGORNNWDQEJ-UHFFFAOYSA-N	419.312	5.259	30	20	HKED	
COc1ccc(CNC2(c3ccc(F)cc3F)CCCCC2)cc1OCCCC#N	498381053	UEMFTSRZUDSFSW-UHFFFAOYSA-N	414.496	5.605	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(F)c1	499612831	KVBJHWVYCMRSGU-UHFFFAOYSA-N	406.482	5.888	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	499889147	UBBYBOODOCMRCF-JOCHJYFZSA-N	408.860	5.129	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)cc2OC)c2ccccc2Cl)c(OC)c1	500880292	JYEFPQVOYWOTPX-DEOSSOPVSA-N	422.912	5.117	30	20	HKED	
COCc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	502234199	PNVNENOHUDVCJN-NRFANRHFSA-N	405.885	5.786	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)ccc2OCC)cc1OC	503934523	NNQCKMYESGBPDN-UHFFFAOYSA-N	402.878	5.050	30	20	HKED	
Cc1ccc(C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccn2)cc1	504023574	JQPFUEXWTTZRHB-SANMLTNESA-N	422.532	5.044	30	20	HKED	
Cc1sc(Br)c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C	507349454	QGGLHGMCICVUDU-CVEARBPZSA-N	403.345	5.039	30	20	HKED	
CSc1cccc([C@@H](NC(=O)N2CCC(C)(C#N)CC2)c2ccc(F)c(F)c2)c1	508345888	XMVOVXZGTJSLMD-HXUWFJFHSA-N	415.509	5.111	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1ccccc1C	510858481	YMHODVPULLIRFF-VWLOTQADSA-N	411.505	6.336	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(Br)s3)cc2)c1	510863934	CGXZWTCENUQKSP-UHFFFAOYSA-N	413.296	5.356	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1nc2ccccc2n1-c1ccccc1	512583306	RSVSFNIYVSORDF-UHFFFAOYSA-N	424.504	5.256	30	20	HKED	
N#CCC[C@@H](NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1	514036716	STDCRMPSBCSFQJ-LJQANCHMSA-N	403.309	5.508	30	20	HKED	
C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	515760320	ZRVNCXMGUUGRMJ-AWEZNQCLSA-N	406.313	5.182	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccccc2CC#N)nn1-c1c(Cl)cccc1Cl	520281321	RXODHOHHLZEUCI-UHFFFAOYSA-N	414.296	5.016	30	20	HKED	
COc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(OC)cc1Cl	521090212	BWAQXALIKUDNOQ-UHFFFAOYSA-N	422.868	5.468	30	20	HKED	
CCCCN1CCCC[C@@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	522205396	PELCRPZOQWUTET-JOCHJYFZSA-N	421.610	5.235	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(OC)c1	522570992	SSFXEMUFXXPXDN-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1	522620928	ZEWBKSLLLSTCFC-UHFFFAOYSA-N	420.538	5.267	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCCc2ccccc2)CC1	522654060	HDLBEBBYLMDAJL-LJQANCHMSA-N	423.582	5.336	30	20	HKED	
CN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C1(C#N)CCC1	522744848	REPKPCSIJQPTMG-UHFFFAOYSA-N	417.296	5.156	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1	524565495	WIOGSMDGYFUKSU-CYBMUJFWSA-N	408.354	5.909	30	20	HKED	
CCC(CC)[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccs1	524566644	XLORVDJTKORICM-MGPUTAFESA-N	401.601	6.299	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCc2ccccc21	532503432	NXFJKUJEZNOAOI-GCJKJVERSA-N	407.583	5.419	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCC(=O)[C@@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	537096371	RPOJMBVLDZDYBC-GXTWGEPZSA-N	423.365	5.641	30	20	HKED	
COc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1OCCCC#N	537383822	ONVPMKQFAGLDSB-LJQANCHMSA-N	400.906	5.035	30	20	HKED	
COc1cccc(-c2nc(CSc3cccc(Cl)c3C#N)cs2)c1OC	537844913	CDKKJJBZNWYZGA-UHFFFAOYSA-N	402.928	5.645	30	20	HKED	
C=CCCOCCCCC(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1	540488229	LQXMTVJWHJOEFC-KRWDZBQOSA-N	400.346	5.126	30	20	HKED	
N#CCCCOc1cccc(NC2CCN(Cc3c(F)cccc3Cl)CC2)c1	540728322	BTDRSWIIVXFFBD-UHFFFAOYSA-N	401.913	5.238	30	20	HKED	
Cc1csc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1	542122484	FBEWHIOWGVNWLZ-GFCCVEGCSA-N	422.316	5.882	30	20	HKED	
CCC(C)(C)OCc1ccccc1NCC(=O)N(CCC#N)c1cccc(C)c1C	542728487	JCKNMEPXYVMNGM-UHFFFAOYSA-N	407.558	5.367	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc2n1	545449177	NCJNFQCBLKXHQD-HNNXBMFYSA-N	405.429	5.435	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)cc1	554818528	HIWBIPTWMQKPCD-UHFFFAOYSA-N	415.280	5.026	30	20	HKED	
C=C[C@](C)(CCOC)c1nc([C@H](Oc2ccc(Br)cc2)C(C)C)no1	554833234	OASYYXKDDMGALS-VQIMIIECSA-N	409.324	5.088	30	20	HKED	
Cc1nc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1-c1ccccc1	564434110	WGHATAQSWMYRMA-UHFFFAOYSA-N	412.493	5.004	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	576437854	IWYANNUPBDFBMU-UHFFFAOYSA-N	424.407	5.011	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2cc(F)ccc2c1C	576619143	BIESRNPJQAMYLK-UHFFFAOYSA-N	417.465	5.969	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1	577239460	KLALVCHVIDSCQE-UHFFFAOYSA-N	412.489	5.153	30	20	HKED	
Cc1csc(NC(=O)c2cc(Oc3cccc(Br)c3)ccn2)c1C#N	578854307	DPWHVYSHTLQTPF-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cc(C(F)F)ccc2Cl)c1-c1ccccc1	582989205	KPNSHLAXJKBQHG-UHFFFAOYSA-N	400.816	5.307	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1	588157346	GXBNOKJOFWFQBH-UHFFFAOYSA-N	417.431	5.048	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSCc1ccc(F)cc1	604357724	MHRTWXSUTINYFI-UHFFFAOYSA-N	406.482	5.670	30	20	HKED	
C=CCOc1c(Br)cc(CNC(C)(C)c2cccs2)cc1OCC	604892885	JIEYDXINNFMHQX-UHFFFAOYSA-N	410.377	5.499	30	20	HKED	
CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)c1cccc(Br)c1	608804607	CJNCAVLVCSAONQ-UHFFFAOYSA-N	401.304	5.048	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)cc2)c1	609064281	ZFIPNLZQUXIYAY-ROUUACIJSA-N	402.416	5.444	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3nc2O)cc1Cl	609164413	NGJZFDNDZDFLIB-FQEVSTJZSA-N	413.864	5.502	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N(C)c1ccccc1	609387231	UESQUNPAJHOJKK-CQSZACIVSA-N	407.461	5.175	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1OCCc2ccccc21	609601715	YLKHJAMNZMRCCC-DEOSSOPVSA-N	413.477	5.095	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@](C)(C#N)C3CCCCC3)cc12	609640970	TUEDWBQBWDUHKM-HSZRJFAPSA-N	406.555	5.047	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2ccnc2)c1	609784273	JJDQJEQJRCCVRP-UHFFFAOYSA-N	410.452	5.039	30	20	HKED	
C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1	609813842	YOHQUVNFIFWSIJ-LLVKDONJSA-N	406.294	5.680	30	20	HKED	
Cc1c(Cl)cccc1Nc1nnc(Sc2c(C#N)nnc3ccccc23)s1	610128881	BQTNQBOHPLJSKR-UHFFFAOYSA-N	410.915	5.210	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1	610174907	LTVBTSBLAZFZMD-KRWDZBQOSA-N	423.582	5.309	30	20	HKED	
COc1ccc(CNc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1OCCCC#N	610910843	RQUWFOPFNJMDRI-UHFFFAOYSA-N	409.530	5.283	30	20	HKED	
COc1ccc(-c2cc(NC(=O)N3CCC[C@@](C)(C#N)C3)ccc2OC(F)F)cc1	612295006	MDQWUBAKPXHFRU-QFIPXVFZSA-N	415.440	5.121	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1cc(F)ccc1F	615346403	FYOQTCOMSRPANI-ZDUSSCGKSA-N	405.445	5.314	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc2ccccc2n1	618608801	UVBHMPFDJPYAHK-IBGZPJMESA-N	420.497	5.639	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(F)cc1Cl	642158796	YXPNVGHUNDWFIY-RNFRBKRXSA-N	409.704	5.258	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	672218213	RNKKREPHLSSICH-UHFFFAOYSA-N	424.566	5.166	30	20	HKED	
CCOc1ccc(C=NOCc2csc(Cc3ccc(Cl)cc3)n2)cc1OC	725790731	BTMKJQLJFZNKMU-UHFFFAOYSA-N	416.930	5.345	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4cc(C)ccc34)n2)cc1	726325613	RXROOOCPQOCWIS-IBGZPJMESA-N	401.491	5.027	30	20	HKED	
CC(=O)Nc1ccc(C2=NN/C(=N/[C@@H](C)c3ccc(Cl)cc3Cl)SC2)cc1	727171772	FFDHQRXUKXXJFF-NSHDSACASA-N	421.353	5.110	30	20	HKED	
Cc1ccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1	728052797	MKIRIQAIVOFNTA-UHFFFAOYSA-N	419.912	5.458	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12	730480766	DOXRUFTWQMULKW-UHFFFAOYSA-N	423.516	5.442	30	20	HKED	
N#C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1Cl	731195996	STAQYZLQZDXHKG-ZDUSSCGKSA-N	404.080	5.060	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1N1CCCC1	731965480	KWBSSIPWVLAJEI-UHFFFAOYSA-N	411.505	5.706	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1cccs1)c1ccc(F)cc1)c1nc2ccccc2s1	733309195	DZOZWJIQFSFWFM-GOSISDBHSA-N	421.522	5.380	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCCC[C@H]2c2cccc(C)c2)c1	735579443	DUFDFNHHCRQURJ-UPVQGACJSA-N	405.542	5.503	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	739156357	WHIJRUSUCDGXAR-MGPUTAFESA-N	424.422	5.385	30	20	HKED	
COC(=O)[C@@H](Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1	739998774	IXGJJSHGLXNNFG-QFIPXVFZSA-N	406.869	5.117	30	20	HKED	
COc1ccc(COC(=O)c2cc3ccccc3n2CC#N)cc1SC(F)(F)F	744967591	AVOGGOJRYSVCFU-UHFFFAOYSA-N	420.412	5.142	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1	747109355	PTMOVPIYMSOCHA-DYVFJYSZSA-N	411.288	5.598	30	20	HKED	
CCOC(=O)c1c(NC(=O)c2sccc2C#N)sc(C)c1-c1ccc(F)cc1	748053329	GMQWHCINMGLCTF-UHFFFAOYSA-N	414.483	5.225	30	20	HKED	
Cc1ccsc1CCCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	748834481	NKKZTYCNBSQZRR-OAHLLOKOSA-N	408.495	5.042	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1	749000541	SHUBBTUTEVZJSL-UHFFFAOYSA-N	419.953	5.252	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)/C=C\SCc2ccco2)cc1	753980250	BXDVMYNRRGYCSF-BENRWUELSA-N	406.482	5.266	30	20	HKED	
COc1cc(C=NOc2ccccc2C(F)(F)F)ccc1OCc1ccncc1	754722405	DKNQTMNPAYUYLH-UHFFFAOYSA-N	402.372	5.101	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc(F)cc(F)c2)cs1)c1ccc(F)cc1F	755703431	AZQIKTLQKVJNAW-HWKANZROSA-N	420.387	5.280	30	20	HKED	
C=CC[C@@H](N[C@@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C)c1ccncc1	766018405	HJGCKFAMHJKRQZ-VBKZILBWSA-N	401.341	5.851	30	20	HKED	
FC(F)COc1ccc(NCc2nc(C(F)(F)F)cs2)cc1C(F)(F)F	766774130	JIEKQPICGBTKTI-UHFFFAOYSA-N	406.298	5.437	30	20	HKED	
C#CCCOc1ccc(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1	767190311	KESNQTXAABHIRD-OAQYLSRUSA-N	402.563	5.108	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)c1	767814714	MGQJMZJSOKSLBD-XLIONFOSSA-N	419.447	5.169	30	20	HKED	
COc1ccc(CNc2cccc(-c3cn4c(n3)CCCC4)c2)cc1OCCCC#N	770535274	LGFBOFHEEITFCF-UHFFFAOYSA-N	416.525	5.190	30	20	HKED	
Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1[C@@H]1CCOC2(CCC2)C1	771905145	TWNUVVSSFJFGTG-GOSISDBHSA-N	420.538	5.200	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12	776424845	FXYLGLHPSKJWBV-UHFFFAOYSA-N	402.494	5.313	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCc2nc3ccccc3n2-c2ccccc2)n1	778313118	OYTMGWAZONERHC-SFHVURJKSA-N	414.534	5.414	30	20	HKED	
Cc1nn(C)c2nc(Cl)c(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc12	782382559	DOWMOEFPKCWXJZ-HNNXBMFYSA-N	415.928	5.320	30	20	HKED	
C#CC[C@H](NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1	787297425	WIYVUAXNUKXVFV-SANMLTNESA-N	424.544	5.111	30	20	HKED	
O=C(/C=C/c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc2nc(O)oc2c1	794719645	NDJRFBJDEIJYJQ-AATRIKPKSA-N	417.273	5.860	30	20	HKED	
N#C[C@@H](C(=O)CCSCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	796648481	CAPWODBLLLWASP-HNNXBMFYSA-N	420.481	5.815	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cc(F)cc(C#N)c4)CC3)n2)cc1	796795242	BRQSPCUZLDRFLN-IBGZPJMESA-N	401.466	5.037	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)s1	797573720	VEXMTQCQEHSLBI-NSHDSACASA-N	422.000	5.698	30	20	HKED	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OCC(C)(C)CCC#N	798879068	WQKHBRLVOKTRHV-UHFFFAOYSA-N	410.898	5.182	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1	799387597	LQTBQBFGUZJPPD-YMAMQOFZSA-N	412.386	5.424	30	20	HKED	
COc1cccc2c1CC/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O	799502788	QOIKGTYUETTYEQ-LGMDPLHJSA-N	418.518	5.357	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C1/C[C@@H](C(=O)O)c2ccccc2C1=O	806560201	JHPBSIPQFMLGCL-QTIWRUEGSA-N	400.478	5.008	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(Cl)c1F)c1nc2cc(C(F)(F)F)ccc2s1	810536107	JCALTNCNUKYOTM-NSHDSACASA-N	412.795	5.527	30	20	HKED	
Cc1cc(C(C)(C)C(=O)[C@@H](C#N)c2nccc3ccccc23)ccc1Br	810717519	WZJRPZLNOSXHAC-SFHVURJKSA-N	407.311	5.460	30	20	HKED	
C[C@H](OCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	915352923	PDPQIGYGZAFJDH-CPJSRVTESA-N	413.521	5.631	30	20	HKED	
CC(=NNc1cccc2ncccc12)c1ccc(OCC(=O)Nc2ccccc2C)cc1	915964973	XRCLMUMIEKTYFK-UHFFFAOYSA-N	424.504	5.397	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	916024168	FVVNNWJSNROWEJ-UHFFFAOYSA-N	415.305	5.861	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916887495	MZQOHQVUZJMOSO-KRWDZBQOSA-N	420.506	5.463	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-n2cccc2)cc1	916904850	JQCVFTNZOOMIJO-JOCHJYFZSA-N	421.456	5.231	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H]2c2ccsc2)c1=S	917454852	JEKZDPVWFAEJLP-GOSISDBHSA-N	400.548	5.262	30	20	HKED	
N#C[C@H](C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1nc2ccccc2o1	917510241	ZGLJYDTWEUPYRC-KNQAVFIVSA-N	406.445	5.012	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c(CC)noc3C)CCC2)cc1	1786102899	DMTZFPGWYAOVHF-UHFFFAOYSA-N	421.541	5.062	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)C1	1823697549	AYCLDSBUPLIAHZ-DQEYMECFSA-N	422.613	5.012	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1	1831368429	YKKIFPFEQOKDFO-VGOFRKELSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(C(C)C)cc3)no2)nnc1-c1ccco1	29991069	YVPMLSJEXRQWBO-UHFFFAOYSA-N	407.499	5.190	30	20	HKED	
CCOc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OCC	32291848	OPJLOHRDQKUNCM-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
CC1=NN(c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)CC1	51154725	ZKHRXVIYFKCURP-HXUWFJFHSA-N	400.507	5.195	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1	303683174	ZIQKGRZPNNMDOM-UONOGXRCSA-N	421.312	5.528	30	20	HKED	
COc1ccc([C@H](C)CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	426178733	PNSGMRJSJFONOP-MRXNPFEDSA-N	401.466	5.195	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2ccncc2)CC1)c1ccc(C(F)(F)F)cc1	428955857	WLLOXEHSXFDOGH-OAQYLSRUSA-N	417.475	5.697	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)C(F)F)c2)cc1	432677718	RGWCZIXDIXXWPT-JOCHJYFZSA-N	421.447	5.460	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1Cl	435668042	TTXFAARGBCKGOC-NSHDSACASA-N	414.840	5.098	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	435738902	UOHZCMAYBPMKDF-IIBYNOLFSA-N	419.352	5.317	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1	437498269	PQXGNKUKGGBBMW-WMZHIEFXSA-N	402.494	5.028	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1	437679071	XXSLLKKXFPVZDN-UHFFFAOYSA-N	408.264	5.530	30	20	HKED	
N#Cc1cc(N[C@H](C(N)=O)c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1	439647248	NCFLIKSPAPYKPO-FQEVSTJZSA-N	411.383	5.008	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccncc1Br)c1ccc(C(F)(F)F)cc1	441544931	KJOSQKJGSFCUAH-INIZCTEOSA-N	413.237	5.300	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cc(C)c(O)c(C)c1	443600391	FYIHUCOWIFMRKG-UHFFFAOYSA-N	401.466	5.412	30	20	HKED	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	444040914	USFOUKKQMOBZRD-UHFFFAOYSA-N	402.498	5.100	30	20	HKED	
CC1(C#N)CCN(C(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)CC1	444301558	FKNOKBHJKAVFLF-UHFFFAOYSA-N	407.272	5.691	30	20	HKED	
Cc1nc(NC(=O)CCCc2cc(Cl)sc2Cl)sc1SCC#N	445816725	AEPBHSCGLYYMAO-UHFFFAOYSA-N	406.385	5.397	30	20	HKED	
N#C[C@H](NC(=O)CCC(=O)c1csc2ccccc12)c1cccc(C(F)(F)F)c1	446048929	XDCYYOZMARGFKC-KRWDZBQOSA-N	416.424	5.264	30	20	HKED	
O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(F)cc(C(F)(F)F)c1	446162431	ONCQJSCNBQNKJN-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1	446908213	KPIRHWSINDJFTR-OAQYLSRUSA-N	401.470	5.141	30	20	HKED	
CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	463172752	UMSJWIUTMJZJGG-GOSISDBHSA-N	408.552	5.080	30	20	HKED	
Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	464052236	JNAYDSKUBRHVBQ-DNQXCXABSA-N	411.505	5.462	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)cc1	464747736	SJLCXPXKPVMURC-UHFFFAOYSA-N	418.537	5.470	30	20	HKED	
CC[C@@](C)(NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1nc(C)cs1	464806610	FOWSKGIEGVLWOM-XMMPIXPASA-N	421.566	5.326	30	20	HKED	
CCc1noc(C)c1CSCc1ccc(OCc2cccc(C#N)c2)c(OC)c1	466378862	UABQWOJTAYJBSD-UHFFFAOYSA-N	408.523	5.438	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(-c3ccccc3C)no2)n1	466608233	OQXGGWOUNBMLMC-GFCCVEGCSA-N	404.417	5.492	30	20	HKED	
O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C1CCC(C(F)(F)F)CC1	469805762	FZIJZCKNVZOOIK-UHFFFAOYSA-N	411.361	5.361	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3c(C(C)C)cccc3C(C)C)C2)n1	471281888	GHYJADCJWRJGHR-HXUWFJFHSA-N	404.558	5.364	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ncoc1-c1ccccc1	478259308	MQLKZNXHGTZPMB-UHFFFAOYSA-N	411.486	5.294	30	20	HKED	
CCCN(C(=O)Nc1cc(C)n(CCC#N)n1)[C@H](C)c1ccc(Cl)c(Cl)c1	480913799	PMVLBFUSOSHSSS-CQSZACIVSA-N	408.333	5.417	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482407544	MWSDUPJALROOKC-XXFAHNHDSA-N	408.317	5.249	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c1	483217904	OEIITPXAFQQWKQ-DEOSSOPVSA-N	403.441	5.176	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	486481329	IQXIDZXFALXZMI-UHFFFAOYSA-N	412.942	5.779	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccccn2)n1-c1ccccc1	489414204	TYLGFCPDPXWYLY-UHFFFAOYSA-N	411.534	5.423	30	20	HKED	
Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	497868194	LANYFCDRRYNGID-UHFFFAOYSA-N	402.788	5.225	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	498932884	JPOYWYVAIOWYFM-UHFFFAOYSA-N	405.523	5.529	30	20	HKED	
Cc1csc(Sc2c(Cl)cccc2NC(=O)COc2ccc(C#N)cc2)n1	499249636	KHWMWZANUSOPMN-UHFFFAOYSA-N	415.927	5.145	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1	501030178	AVSVNKMSZGUWSV-NRFANRHFSA-N	410.949	5.100	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)nc1	505336401	BJSQFOWHZIVLMI-GOSISDBHSA-N	423.259	5.047	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c12	505451007	KSJQPENKEFCOCD-AWEZNQCLSA-N	412.405	5.237	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)s1	505977288	RNCXRLOUSQWOSK-INIZCTEOSA-N	401.413	5.132	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1	506547268	PWIQHWACDPZFLX-UHFFFAOYSA-N	416.550	5.172	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(C)[nH]c2ccc(Br)cc12	509202577	JWHVDPSWOBXKQX-UHFFFAOYSA-N	424.342	5.092	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1	509630020	AERWBTGPIGJFPT-UXHICEINSA-N	401.432	5.055	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	510886739	FBYVHHWWAHEENT-RUZDIDTESA-N	411.505	6.336	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511546991	RRZQCWBYIBLRGX-VAMGGRTRSA-N	419.422	5.301	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2(C#N)CCCCC2)ccc1Cl	512792889	OEZGQUZXXVSGLM-UHFFFAOYSA-N	423.944	5.415	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1	513284297	LVKGDINOBLHLCK-QFIPXVFZSA-N	416.908	5.420	30	20	HKED	
C=CCN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(-c2ccccc2)cs1	515853066	UHIOHWIGMKOWFV-UHFFFAOYSA-N	420.925	5.482	30	20	HKED	
COc1ccc(Nc2ccccc2C(=O)Nc2cccc(OCCCC#N)c2)cc1	516009110	ZOWUJWRQUYBAQD-UHFFFAOYSA-N	401.466	5.374	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1	518178558	BDRBQIXSXNBIRE-UHFFFAOYSA-N	409.917	5.268	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC(F)F	518731880	OWLRWOSRDHYAJG-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	519513795	XXHWCHOTPGZFLC-MRXNPFEDSA-N	403.507	5.512	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1	519943126	ZAHMDTZMBKXHMM-OAQYLSRUSA-N	420.310	5.426	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1	520681920	GYAZJDAYIKCZHZ-UHFFFAOYSA-N	401.447	5.248	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)CCC2CCCC2)cc1Cl	521472088	HKBSXYBEQAJBQE-OAQYLSRUSA-N	423.944	5.021	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1	522244055	NHAPJIHUBGJULJ-UHFFFAOYSA-N	411.461	5.032	30	20	HKED	
CN(Cc1ccccc1NCc1cc(C#N)cs1)C(=O)c1cc2ccccc2o1	532895773	OMKXRIVJSOLVCZ-UHFFFAOYSA-N	401.491	5.250	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(-c3ccccn3)c2C)cc1	533649093	RNNVRAROYFILRO-UHFFFAOYSA-N	411.505	5.124	30	20	HKED	
CCCn1c(-c2csc(N(C(C)=O)c3ccc(F)cc3)n2)nc2cc(C#N)ccc21	534628987	COYUSSSEWISKDG-UHFFFAOYSA-N	419.485	5.265	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1)c1ccccc1	536192870	RCEXOGFRPNUBJJ-UNMCSNQZSA-N	401.554	5.683	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1	537156032	PZFXHCZEKFOYIZ-IRXDYDNUSA-N	417.509	5.122	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	539183072	GVMQTWFTYXNBAH-SFHVURJKSA-N	407.823	5.698	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@H](c3ccccc3)c3ccc4c(c3)CCCO4)cc2)CC1	540723298	KOTCDCNATVEKMZ-RUZDIDTESA-N	408.501	5.086	30	20	HKED	
COc1cc(Cl)c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	541069724	IHJNNWKBRBYYSN-OAHLLOKOSA-N	420.896	5.387	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(NC(=O)NC2CC2)cc1	541176036	PAMWCPKDXSFLPD-MOPGFXCFSA-N	424.548	5.921	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1	549234484	IYYWNERUUILXOO-BEFAXECRSA-N	416.978	5.016	30	20	HKED	
N#CCC[C@H](C#N)CNCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F	554552452	ZBMYBDMGGRLIPW-CYBMUJFWSA-N	409.358	5.309	30	20	HKED	
O=C(CC(F)(F)F)Nc1ccc(NC(=O)Nc2ccc(F)cc2C(F)(F)F)cc1	554858309	NSIDJQQWELGDBD-UHFFFAOYSA-N	423.288	5.379	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC[C@H]2CCCO[C@@H]2c2ccccc2)c1	557716652	YFPBASBAQUTCGC-SHQCIBLASA-N	412.533	5.395	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC(c4c(Cl)cccc4Cl)CC3)o2)c1	566761482	ODGDMLPVOLZSQD-UHFFFAOYSA-N	413.308	5.295	30	20	HKED	
C=CCOc1ccc(CNC2(c3cccc(Br)c3)CCC2)cc1OC	588179206	LWDLPVZBTOHGNU-UHFFFAOYSA-N	402.332	5.192	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc2cc(F)ccc2s1	592974568	UHIQMGDXWZHCEE-LJQANCHMSA-N	402.450	5.504	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cc1	603656317	KPKPWNCBGGHSSH-UHFFFAOYSA-N	403.482	5.119	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNc2ccc([N+](=O)[O-])cc2C#N)cc1	603866832	HSQUVGAFODQSJM-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSCc2ccc(Br)cc2)c1C	603902726	CJQJSUTWJCPJOH-UHFFFAOYSA-N	417.372	5.246	30	20	HKED	
Cc1[nH]c2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2c1C	603921206	PIDURHKALNFCST-UHFFFAOYSA-N	409.489	5.682	30	20	HKED	
CCC(CC)[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1cccs1	604108046	MRZMFGIGXFBVDJ-JOCHJYFZSA-N	410.587	5.019	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2)cc1	604460733	WMSISTSTDOVDLH-QHCPKHFHSA-N	417.465	5.157	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1cccnc1	609078055	BEMWTSPNEKLSRQ-DEOSSOPVSA-N	412.493	5.210	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)c1	609184678	CNDGMFHDCOELED-UHFFFAOYSA-N	423.925	5.019	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209725	JJFDFQNOQOLOGY-UHFFFAOYSA-N	407.420	5.683	30	20	HKED	
CO[C@](C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	609298534	JXQNWGSKXFZJEW-DEOSSOPVSA-N	420.896	5.291	30	20	HKED	
CN1CCC[C@@H](CNc2ccc(Cl)c(C#N)n2)[C@@H]1c1ccc(C(F)(F)F)cc1	609797667	KFLXCSVHLDFJNL-LIRRHRJNSA-N	408.855	5.120	30	20	HKED	
CSCCCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609929273	KHESSUKICOGHJZ-UHFFFAOYSA-N	403.935	5.055	30	20	HKED	
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1	610129444	ZMJHTCQOPYDUFY-OAQYLSRUSA-N	417.553	5.103	30	20	HKED	
N#Cc1cc(=NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c2ccccc2[nH]1	610276154	YHRFIGZFACQMPU-UHFFFAOYSA-N	415.500	5.052	30	20	HKED	
Cn1c(SCc2ccc(C#N)cc2Br)nnc1-c1ccccc1Cl	611491441	FBKLMZJYSKDCPW-UHFFFAOYSA-N	419.735	5.062	30	20	HKED	
Cc1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1NC(=O)c1ccccc1F	617896346	GWHOZSUCOQETKL-HXUWFJFHSA-N	423.447	5.425	30	20	HKED	
O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	681664825	MKRHWTNPNUIQMM-UWVGGRQHSA-N	413.667	5.172	30	20	HKED	
COc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	727979379	WGECLYZKMBDKQN-UHFFFAOYSA-N	423.925	5.608	30	20	HKED	
CCc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C	728062363	KAWOPNHJOTZCIZ-LJQANCHMSA-N	413.521	5.447	30	20	HKED	
Cc1ccc(S[C@@H](C(=O)Nc2cccc(OCC#N)c2)c2ccccc2)c(C)c1	729946869	HOZBHALDGATCGP-HSZRJFAPSA-N	402.519	5.678	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1	730072794	YUFOOWPNZWSMIL-HNAYVOBHSA-N	400.475	5.440	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F	731025835	OMANBSFMFAXUKR-VNDWYCCKSA-N	406.429	5.489	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1	731320604	KWFJBHYSWMRJCF-KRWDZBQOSA-N	419.575	6.682	30	20	HKED	
Cc1ccc(Sc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)cc1C	731958557	SGUJJXSSDKWBAF-UHFFFAOYSA-N	402.519	5.538	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)ccc1OC	733657674	XTRHIERODCMWIL-NHCUHLMSSA-N	413.562	5.021	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1	734083970	ULFXSFZIPJEIMK-LJQANCHMSA-N	405.523	5.248	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccncc1	734655181	KTLWCAAKAQGIQC-ISKFKSNPSA-N	417.578	5.728	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCC[C@H]1c1cccc(Br)c1	735308205	FIBKGIKCSCJIFB-SFHVURJKSA-N	405.723	5.342	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)nc2ccccc21	735764650	CWALUZVLJHAZOH-JMQJIOGXSA-N	417.940	5.452	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	739159195	HVUKCVUNBNNNKH-IIBYNOLFSA-N	404.535	5.751	30	20	HKED	
C/C(=C\C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1	739668627	GYDGRNPLFGZODW-WYMLVPIESA-N	424.426	5.422	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)N[C@H]3CCOc4ccccc43)cc2)cc1	741486208	CMWSIXXXQKPEQF-NRFANRHFSA-N	401.491	5.161	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(CC)Cc2cccc(-c3ccncc3)c2)c1=S	742158011	CQQSYZMUDIYFNR-UHFFFAOYSA-N	405.571	5.019	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)c2)c1	744027254	OCQINIHLNBYTIM-QFIPXVFZSA-N	420.578	5.367	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Br)s1	744064532	XNXCEFQPJRAWEH-ZYHUDNBSSA-N	418.341	5.009	30	20	HKED	
C[C@]1(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCc2ccccc2C1	744073641	FDCZMQGNNAWZNK-MWTRTKDXSA-N	408.473	5.460	30	20	HKED	
CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1	746142226	NZLKOKITQUUXJC-XMSQKQJNSA-N	421.541	5.124	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1cnn(-c2ccccc2)c1	746346656	GIBVBTQOOZUHPU-QXMHVHEDSA-N	417.472	5.016	30	20	HKED	
C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753359385	IXWMKWGSUHGAMG-LBPRGKRZSA-N	401.249	5.367	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)CCCCc2ccc(Cl)c(Cl)c2)c1	753533249	NKOMPNASWYJZMM-QGZVFWFLSA-N	419.308	5.062	30	20	HKED	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	753940074	XKWVCCLFVBRYHQ-BSIFCXSSSA-N	411.530	5.848	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1csc2ccccc12	754737180	JRVRVKASDOZGCG-HZPDHXFCSA-N	409.580	5.442	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	760205081	RYZRHRVBBYNPCZ-ABAIWWIYSA-N	400.862	5.174	30	20	HKED	
Cc1oc(-c2cccs2)nc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764752356	MRJWZNFJIWBOCK-UHFFFAOYSA-N	423.281	5.039	30	20	HKED	
COc1cc(C(=O)/C=C\c2cncc(Br)c2)ccc1SC(F)F	767360984	NSHXVTQOMFGPSZ-RQOWECAXSA-N	400.244	5.064	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1	772461054	OCZPJVVFKNENMW-UHFFFAOYSA-N	408.502	5.288	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](CC2CCC2)c2ccccc2)ccc1OC	779350881	GZEYNFUTXLADJM-FGZHOGPDSA-N	421.541	5.107	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1	780156598	FWVYYIWQFAPZHH-HOYKHHGWSA-N	400.478	5.299	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1	780163113	RMHPGVSAARMHFM-KRWDZBQOSA-N	412.445	5.555	30	20	HKED	
N#Cc1ccc([C@H](O)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cc1	780951722	ZNGTUSNGJYFGEA-FQEVSTJZSA-N	412.367	5.041	30	20	HKED	
Cc1cc(Br)c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1Cl	782073089	PDWURKRHRHMMCJ-NSHDSACASA-N	408.683	5.346	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)c3ccccc32)ccc1OC	783473884	RZBGUPOIWQRRHP-JTAQYXEDSA-N	420.553	5.310	30	20	HKED	
CC[C@H](CC#N)OC(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12	787089961	TYDBPRJVMKFBTR-MRXNPFEDSA-N	406.482	5.020	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1cn(CCC#N)nc1-c1ccccc1	788355445	MZQWNDLPXLCSML-CCEZHUSRSA-N	421.504	5.162	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1	789459301	PQSZEDIAWMUWKD-XMMPIXPASA-N	410.533	5.655	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)[C@@H](C#N)c2nccc3ccccc23)cc1	792094158	DGPGPBQQEYRCJT-JOCHJYFZSA-N	400.478	5.253	30	20	HKED	
Cc1c(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)sc2ccc(C#N)cc12	794276476	UCVKHUZEQUNDFE-UHFFFAOYSA-N	421.522	5.358	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1	795765455	FVCIKWUYLGMLQS-RBUKOAKNSA-N	410.518	5.162	30	20	HKED	
N#CC[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	796636113	WDEFZDWPMBZTNO-MJGOQNOKSA-N	405.910	5.727	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3csc(C)n3)cc2)cc1	799604010	RJEIICLLGPGXLA-QVKFZJNVSA-N	417.534	5.593	30	20	HKED	
Cc1cc(C)nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	802044621	XVJVNFUWTOCPNQ-AWEZNQCLSA-N	402.306	5.619	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	805859960	WKSAJLIIJTWNGO-ACJLOTCBSA-N	405.910	5.553	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)Cc2ccccc2O1	808816784	WXMKXAWQRFNLCS-QHCPKHFHSA-N	411.505	5.547	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1	809925686	OVYZRISZHMUIAV-QGZVFWFLSA-N	400.313	5.174	30	20	HKED	
O=C(Nc1cccc(C(=O)N(O)Cc2cccc3ccccc23)c1)c1ccc(F)cc1	901370218	BLIMGDDXGYGQTH-UHFFFAOYSA-N	414.436	5.263	30	20	HKED	
O=C(c1ccc(C2SCCCS2)cc1)N(O)Cc1cc(Cl)cc(Cl)c1	901380355	VXDACCCMPSUTIU-UHFFFAOYSA-N	414.379	5.894	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1	915087480	UDHPQKPJYJGOEG-IBGZPJMESA-N	420.896	6.602	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H]2c2ccc(OC)cc2)c1=S	915836501	NXYRUOBVPXDMBH-NRFANRHFSA-N	424.545	5.209	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1	916680918	MTDHVEJNZREVEL-CLJLJLNGSA-N	409.533	6.491	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1nc2ccccc2s1	916846234	MIHAHADPAIXZAJ-MRXNPFEDSA-N	414.452	6.003	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc1ccccc1Cl	916906108	REAPRCQOQJMZMU-WMLDXEAASA-N	414.958	5.293	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(F)c(Cl)c4)cc3c2C1	916937575	GAVZXUBAYPCUPY-YVEFUNNKSA-N	423.875	5.046	30	20	HKED	
Cc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C	917600569	XYQGJSAOJORYDL-UHFFFAOYSA-N	407.926	6.430	30	20	HKED	
C=CCN(Cc1ccccc1F)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S	918182416	QBKFREXZUDIRFS-UHFFFAOYSA-N	408.546	5.125	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccc(OCC(F)(F)F)cc1	920480528	HDGNMTRLFOTXRX-RAXLEYEMSA-N	413.395	5.498	30	20	HKED	
COc1c(Cl)cc(Cl)cc1/C=C1/SC(=Nc2c(C)cccc2C)NC1=O	921259054	HZZUPVWFHZVYCX-OVCLIPMQSA-N	407.322	5.510	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccsc3)cc2)CCC1	1788240300	BTDFCGWBRUYCPY-NRFANRHFSA-N	408.567	5.193	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CC3)CCC2)cc1	1789453590	BKWFIKICZNDVOB-SFHVURJKSA-N	420.475	5.231	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1	1791952076	UGYPBTWHIGGYET-QFIPXVFZSA-N	406.526	5.115	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(C)c2C)cc1	10167970	ISHBYZRWBNBDMB-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c1	11264054	CXECLBYECRUZJL-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1	25839114	COTJLOHERFTEHI-UHFFFAOYSA-N	404.539	5.021	30	20	HKED	
N#CCc1ccc(NC(=O)COc2ccc(-c3ccc(Br)cc3)cc2)cc1	60980808	ABRANDPMCSOTFW-UHFFFAOYSA-N	421.294	5.200	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2s1	64461477	AHXDITPJDKMNDS-NSHDSACASA-N	412.565	5.304	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	71907182	LYWXACKZJVHTKT-NRFANRHFSA-N	403.869	5.206	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)[C@@H](C)CC#N)cc12	110976298	DUQIFTCNEFQOGW-NSHDSACASA-N	421.353	5.136	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2cccc(OCC(F)F)c2)c1	237787383	NMAMGVCLMQBFBB-UHFFFAOYSA-N	408.448	5.071	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cc(Br)cs1)c1cccc(Cl)c1Cl	303379416	MEOGXPUAQOOOMQ-CYBMUJFWSA-N	418.143	5.131	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3cccc(F)c3C#N)C2)n1	428948232	RTEAREMSCSGFSM-QGZVFWFLSA-N	407.514	5.209	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	429069535	KDFBWOPLSIPEDX-UHFFFAOYSA-N	404.445	5.324	30	20	HKED	
FC(F)(F)c1ccccc1[C@@H](NCc1ncccc1C(F)(F)F)C(F)(F)F	429335765	ZCTYJNGFTBZAKL-CYBMUJFWSA-N	402.260	5.512	30	20	HKED	
CC(C)(c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1)C(F)(F)F	429675728	OJRAEOIRJQHZDU-VQTJNVASSA-N	415.459	5.830	30	20	HKED	
Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2F)n1	432917372	KXPVJXJYPRFXON-NRFANRHFSA-N	405.477	5.185	30	20	HKED	
CC1(C)C[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cc([N+](=O)[O-])ccc21	433079857	ZBXYDQGFXFSTCN-OAQYLSRUSA-N	418.497	5.012	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	437605007	RQDCOKORHXXZMJ-SFTDATJTSA-N	417.509	5.422	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	438222813	BMPFILYRMACVSD-SFHVURJKSA-N	415.493	5.454	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)Nc3cccc(OCCCC#N)c3)cc2)o1	438493468	VSCWLALHHIOFPK-UHFFFAOYSA-N	404.470	5.792	30	20	HKED	
N#Cc1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1C(F)(F)F	438644302	HXSJJEGBNKEOAX-UHFFFAOYSA-N	423.822	5.058	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(CCC(F)(F)F)cc2)c(C#N)c(C)c1C	439658009	JKQOXYPEGOZVBA-UHFFFAOYSA-N	407.461	5.104	30	20	HKED	
C=CCN(C(=O)c1cncc(C)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	443818821	VYGBHZADXDFJBC-UHFFFAOYSA-N	411.530	6.013	30	20	HKED	
C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1cccc(Br)c1	460806709	XKUHOHQBTPLJRC-IBGZPJMESA-N	424.346	5.020	30	20	HKED	
C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1cccs1	460957905	MUJNQQYBRQNLNC-HNNXBMFYSA-N	418.364	5.015	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c2ncccc12)c1c(F)cc(C(F)(F)F)cc1F	463574085	MNBINDBYTFMEDL-UHFFFAOYSA-N	418.268	5.386	30	20	HKED	
C=CCCCCCN(C)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	467056388	FIBNLTWWIYODOY-UHFFFAOYSA-N	411.493	5.717	30	20	HKED	
N#C[C@H]1N(C(=O)c2csc(-c3cccc4ccccc34)n2)CCC[C@@]12CCCCO2	468660493	MIDOEZDDUVGMJX-QPPBQGQZSA-N	417.534	5.031	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CSCc1ccc(C#N)cc1	468808340	CIAHCCHFKYPONI-KRWDZBQOSA-N	421.591	5.443	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)c(F)cc1F	469412269	QDGJXLRDDNXFJQ-JTQLQIEISA-N	411.271	5.231	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)c(F)cc1F	469412270	QDGJXLRDDNXFJQ-SNVBAGLBSA-N	411.271	5.231	30	20	HKED	
COC(=O)C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc2ccccc2c1	473633675	KSOIBNHEDCZGRF-JOCHJYFZSA-N	415.493	5.067	30	20	HKED	
CCC1(CC)CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1	474836398	SGQZAMYDQLDFKU-UHFFFAOYSA-N	410.562	5.140	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1	475771088	NTYLJSRMUXWJSB-UHFFFAOYSA-N	409.917	5.020	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccc(Br)c1	476116956	GCAMKCXKXRHAOR-HNNXBMFYSA-N	402.332	5.707	30	20	HKED	
COc1cc(Cl)ccc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N	479589307	KWOOQGCCBCHRQZ-AWEZNQCLSA-N	420.987	5.615	30	20	HKED	
C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	480126639	SMHOFAWOCICLDT-KKSFZXQISA-N	404.901	5.615	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1	480808020	VOXUKCLAPLZKTF-CQSZACIVSA-N	405.951	5.150	30	20	HKED	
CCS[C@@H](C)c1noc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)n1	481345393	JMAMGAADMUEMHQ-LBPRGKRZSA-N	412.540	5.191	30	20	HKED	
C[C@@H](Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	481387668	OFBUEFDCJXETFT-CQSZACIVSA-N	418.913	5.103	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1)C(F)(F)F	486528815	HSTCPAYYVHUTHM-GDBMZVCRSA-N	407.461	5.406	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1	488375273	BTGCDMLJZSOIAC-JOCHJYFZSA-N	416.496	5.695	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1	489485260	LAZWDMGBHGXGQS-HSZRJFAPSA-N	405.542	5.086	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H](c1ccc(F)cc1)C(F)(F)F	491259803	RFNMNNUGKGUZEN-ZDUSSCGKSA-N	414.252	5.130	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NC3(c4cccc(C#N)c4)CC3)s2)cc1	495069757	UMRDUXJIEASAFF-QGZVFWFLSA-N	416.550	5.348	30	20	HKED	
CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	496446095	FVVLPGJJCDVEHU-DEOSSOPVSA-N	403.913	5.177	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1	500006591	QWGUWQFSQXKDEG-RBUKOAKNSA-N	401.535	5.786	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCOc2c(Cl)cccc21	501571724	VXYIGSHCCATPKE-FQEVSTJZSA-N	416.953	5.119	30	20	HKED	
Cc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1-c1cccc(C#N)c1	502558971	FBVDKEVVGZBRFD-UHFFFAOYSA-N	405.672	5.265	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Br)c1Cl	503136359	FGSPUFSFUHCJBF-NSHDSACASA-N	409.736	5.749	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1	508275628	QGPVINWNGZUBAV-NHCUHLMSSA-N	401.514	5.026	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)on1	510045972	QVEAAZLWSFQYND-FPOVZHCZSA-N	420.900	5.661	30	20	HKED	
CCN(C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1ccc(C#N)cc1	510398207	WRYYPFBJPOHYGA-UHFFFAOYSA-N	408.461	5.250	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(Br)cc2)s1	512283032	OMJGRJHLRVSFOV-UHFFFAOYSA-N	411.324	5.321	30	20	HKED	
C[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1F	512647301	HKIBWXMZZIKTOL-LBPRGKRZSA-N	405.420	5.690	30	20	HKED	
C=CCc1cc(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc(OC)c1OC	512742489	PMDZOEDOIYWIKZ-UHFFFAOYSA-N	406.457	5.194	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	514182635	IJYDWOYEPONXJY-LJQANCHMSA-N	414.509	5.428	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)Oc1ccccc1Cl	516710347	GPRBEEGCLUHOBH-MRXNPFEDSA-N	406.869	5.718	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1	518056277	VARKXHSWRMTSNQ-UHFFFAOYSA-N	419.554	5.178	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	518901924	BXMDYSVUYQGPIQ-SFHVURJKSA-N	400.478	5.387	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1	520924426	WDGZIKBRTNLINE-CHWSQXEVSA-N	409.338	5.794	30	20	HKED	
COc1ccc(-c2cncc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)cc1	531555444	JYZOKRLYIYKHDL-UHFFFAOYSA-N	412.474	5.005	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1Cn1cnc2ccccc21	534478110	UJLYAZSRSVMIOD-MSOLQXFVSA-N	419.554	5.127	30	20	HKED	
CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1	538616865	BELHEVHTJBLFKE-RBUKOAKNSA-N	411.477	5.205	30	20	HKED	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccc(OCc2ccccc2C#N)c1	538759163	IBCDVOIWADCKTI-HZAQMHFWSA-N	418.562	5.068	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1	540454164	QECBAHCLIAPLHN-AWEZNQCLSA-N	406.713	5.372	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21	542024388	OQBSGUYQWWKOOO-KUWBRRTOSA-N	403.526	5.488	30	20	HKED	
C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542926911	AWDFSKZJPZIRFS-SFHVURJKSA-N	411.530	5.208	30	20	HKED	
CC(C)CCOC1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	543017892	QYQZFXNAFOZMCU-FQEVSTJZSA-N	419.569	5.523	30	20	HKED	
COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	543961441	JSQDCRJTRJSRTH-IAGOWNOFSA-N	404.485	5.793	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C)c1ccc(F)c(F)c1	547814577	RMQKSWYGFBRENI-JOCHJYFZSA-N	411.448	5.588	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](CCCC#N)c1ccccc1	550832317	FNKYDFSNWXEUMU-JXFKEZNVSA-N	403.448	5.447	30	20	HKED	
CCOc1cc(Cc2noc(-c3ccc(C(C)(C)C#N)cc3)n2)ccc1OC(F)F	567310086	BMVZAJBJNJLFME-UHFFFAOYSA-N	413.424	5.129	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[C@@H]1[C@@H]1CCCO1	576994775	BHKQJDCOLQFZGA-LEWJYISDSA-N	410.901	5.034	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(F)(c2ccccn2)CC1	578275717	JPDVIFSFAGXWIF-UHFFFAOYSA-N	417.509	5.205	30	20	HKED	
N#CCc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1	579519730	MRCYKVGODXHPEJ-UHFFFAOYSA-N	420.925	5.598	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCC[C@H]2c2ccccc2)ccc1OCC(F)(F)F	583354641	CDXFSIXPNJALHJ-SFHVURJKSA-N	403.404	5.258	30	20	HKED	
CC(C)c1ccc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)C(C)C)n2)cc1	603527322	JFJGMAQVOZJIPU-UHFFFAOYSA-N	416.525	5.101	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccncc1)C1CC1	609078464	SCSPJUHFDBWOGM-UHFFFAOYSA-N	412.493	5.037	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609176241	CAPHHZBGGMMUBF-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)c2)cc1	609209549	BOMDAHKLYVPRQD-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
Cc1ccc(CN(C(=O)NCc2ccc(C#N)cc2F)[C@H]2CCc3ccccc32)cc1	609254571	SLDXIBGZCBATII-VWLOTQADSA-N	413.496	5.405	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C(=O)NCc1ccccc1)c1ccccc1	609387340	YCDUYNLJVRFVBI-YADARESESA-N	415.562	5.408	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N(C)C	609398254	NGFOYKAVUKFGKC-DNVCBOLYSA-N	416.978	5.016	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4ccccc4F)CC3)c2)c1	609864181	NJMDRODPGJSRPM-UHFFFAOYSA-N	414.480	5.296	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(c1cccs1)c1cccs1	610019456	QNEOULYHZXVETO-CQSZACIVSA-N	413.593	6.115	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	610089668	DTCCQLWGKSCJIG-FQEVSTJZSA-N	405.527	5.006	30	20	HKED	
COc1cccc(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610224128	CZYUSAVDMQFPHX-QGZVFWFLSA-N	411.288	5.910	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1	610341479	VBOQOLNOMFLLGQ-HKUYNNGSSA-N	418.566	5.105	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(F)cc3OC3CCCC3)CC2)c1	610905441	KTQYAWJOSXJCAZ-UHFFFAOYSA-N	423.488	5.094	30	20	HKED	
CC(=O)N(c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1C	611389341	STYXECJRZYVPOR-GOSISDBHSA-N	418.566	5.475	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	619508212	PFNWQGOFKZKAJQ-MUQADHOPSA-N	404.398	5.825	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2ccoc2)c1)c1nc2cc(C(F)(F)F)ccc2s1	677709124	DEFABJVJPAYMPL-MRXNPFEDSA-N	412.392	6.065	30	20	HKED	
Brc1cc(CON=Cc2cccc(OCc3ccncc3)c2)cs1	727435598	SMTLHXDWHSCVPO-UHFFFAOYSA-N	403.301	5.035	30	20	HKED	
Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc23)n(CCC#N)n1	728469908	XHTWIRPXLPQBPN-UHFFFAOYSA-N	409.493	5.190	30	20	HKED	
CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728667890	FNQPPDKYNNEPGR-KRWDZBQOSA-N	414.461	5.097	30	20	HKED	
O=C(/C(=C\c1nccn1CC(F)(F)F)c1ccccc1)c1nc2ccccc2s1	728699250	DLOSMPCXKJFGMU-QINSGFPZSA-N	413.424	5.479	30	20	HKED	
COc1ccc(OC)c(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	729160177	IWURQPRYPRZMAM-UHFFFAOYSA-N	405.479	5.177	30	20	HKED	
O=C(/C=C\c1cccc(OCc2ccccc2F)c1)c1ccc(C(F)(F)F)nc1O	731563706	SBWRZCFSMLUHQP-NTMALXAHSA-N	417.358	5.420	30	20	HKED	
Cc1ncc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	732901359	OWKTXVXXPVIAMH-KQIUPUNMSA-N	420.346	5.772	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2cccc3ccccc23)ccc1OC	733639570	FXXRNFAOLDBREY-PXNSSMCTSA-N	417.509	5.090	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)c1	733755581	VTGPFSJTQDKEQN-BBRMVZONSA-N	422.381	5.400	30	20	HKED	
Cc1ccc2[nH]cc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)c2c1	735612297	LNCRDLZNTNCPLX-UHFFFAOYSA-N	402.310	5.213	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1	736956785	XONNDAYMLNMMFX-XMMPIXPASA-N	413.496	5.893	30	20	HKED	
Fc1ccc([C@H]2CCCC2=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	741164771	ZHQIEOBJMSNHIJ-OAHLLOKOSA-N	415.394	5.432	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1NC(=O)OC(C)(C)C	742630292	UWXIWGHQLUUGHF-UHFFFAOYSA-N	417.412	5.067	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	744028004	GQJHSGYKRXEHMR-IPMKNSEASA-N	401.293	5.007	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1oc(C(C)(C)C)nc1C#N	746498115	IOLOIHPXHDWCGS-UHFFFAOYSA-N	410.909	5.252	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)s1	749349267	FDGCYPMSSBBXHC-UHFFFAOYSA-N	411.405	5.238	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2)cs1	750395908	UCOFKAVCNDGPJJ-OAHLLOKOSA-N	402.853	5.551	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NCc2ccc(OCC#N)cc2)cc1	752715396	KTEHJEVKAFWAGI-GOSISDBHSA-N	417.534	5.764	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccn3)s2)CCOc2cc(Br)ccc21	753144330	ZDXLFRVQYCUEIK-XFXZXTDPSA-N	413.296	5.016	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1csc2ccccc12	754737179	JRVRVKASDOZGCG-HOTGVXAUSA-N	409.580	5.442	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	760194497	CVFGUGRGOCHGPL-KRWDZBQOSA-N	423.463	5.605	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc3c(s2)CCC3)cs1	764431848	GXOAIHYGZCLWLZ-JXMROGBWSA-N	412.511	5.413	30	20	HKED	
COc1cc(C=NNCc2cnc3ccccc3c2)ccc1OCc1cccs1	764778278	IYNSRVFFUFAAKC-UHFFFAOYSA-N	403.507	5.008	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)C1	766636939	IQZOMYGESXKGAQ-NXHRZFHOSA-N	402.535	5.767	30	20	HKED	
CCC1CCC(N(C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)C2CC2)CC1	767005430	YKVNZOHVVFOSAH-XTXLOEGASA-N	413.562	5.019	30	20	HKED	
CN(Cc1cccc(NCc2ccc(N(C)CCC#N)cc2)c1)C(=O)OC(C)(C)C	770528978	KEHCPCQVUMTPFC-UHFFFAOYSA-N	408.546	5.015	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cn(C)c2ccccc12	773982656	KUSNKMPIIFBIMH-KSSFIOAISA-N	419.937	5.935	30	20	HKED	
CC(C)(C)OCc1cc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)no1	775193684	WBIPCBABQZGHHY-UHFFFAOYSA-N	406.438	5.011	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1	779136495	RCNFHYDQSARDKX-UHFFFAOYSA-N	412.484	5.269	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	780166605	RVWWYCLGBQXTPW-LBPRGKRZSA-N	417.412	5.372	30	20	HKED	
C=CC[C@@H](NC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1	781374736	AKJWBIDQJZVHJS-HXUWFJFHSA-N	402.325	5.505	30	20	HKED	
C=C[C@](C)(CCOC)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	783069709	LDKALZZBVZTKHE-AUUYWEPGSA-N	409.338	5.522	30	20	HKED	
Cc1nc(COC(=O)c2cc(-c3cccc(C#N)c3)no2)oc1-c1ccc(Cl)cc1	789124218	LCEDDGNZZIGVHR-UHFFFAOYSA-N	419.824	5.187	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	789723411	XZNLBXQZDHEJLQ-UHFFFAOYSA-N	423.534	5.358	30	20	HKED	
C[C@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Cl)c(C(F)(F)F)c1	791672826	RWGWIPXLSJISFK-LRDDRELGSA-N	406.791	5.217	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccnc(F)c1	794719581	MUVZYIYUVKQXJF-GORDUTHDSA-N	417.190	5.048	30	20	HKED	
COc1cccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	796762688	IQBRSGODNFHAAZ-FQEVSTJZSA-N	418.518	5.357	30	20	HKED	
COc1cc(/C=C2/CSc3ccc(Cl)cc3C2=O)cc(Br)c1O	797241288	ACIKZQBUOIMAQV-WMZJFQQLSA-N	411.704	5.189	30	20	HKED	
Cc1ccc(-c2csc3ncnc(NN=C4CCC(c5nc(C)no5)CC4)c23)cc1	797400646	JIHCCYZPOJDLGX-UHFFFAOYSA-N	418.526	5.484	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)s1	797569555	SCCCUOHTBBIXIE-OAHLLOKOSA-N	402.610	5.799	30	20	HKED	
C#C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1	812750633	AQQMTRRUERZJAY-JOCHJYFZSA-N	400.478	5.094	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1	812982241	ITHZWCAZZWZFPD-XMMPIXPASA-N	408.542	5.181	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813216764	YKQBAOUKJLCGRG-SKDRFNHKSA-N	403.187	5.051	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNc1ncccc1C(F)(F)F	915050440	PVYXDAHXVDHCFO-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2c(F)cccc2F)cc1OC	916838107	IZDKCBWKZBGPKC-GFCCVEGCSA-N	412.274	5.152	30	20	HKED	
N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)cc1	916885109	NAZPDSNKZHZNQI-CYBMUJFWSA-N	413.713	5.086	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1	916906865	VYGVCLPYLZSFQA-LFDGNKEFSA-N	416.864	5.493	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1cccc2ccccc12	916915314	BRKBSFAPVYKFFC-QHCPKHFHSA-N	424.500	5.029	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc(Cl)ccc2o1	916945473	BOVDQIOTIBFXPB-CQSZACIVSA-N	407.640	5.354	30	20	HKED	
C/C=C\c1ccc(OCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC)c1	917043443	IQIBZELDJRFWDC-JZIMQPMSSA-N	412.898	5.247	30	20	HKED	
O=[N+]([O-])c1ccc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1	919964587	UKNVEAQTYUTPJJ-OCAPTIKFSA-N	410.236	5.181	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1	920138181	BHYOWSKNIDXURQ-FQEVSTJZSA-N	420.534	5.371	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc(C)cc3)n2)cc1	920138356	FJOYOGXMBYTJDS-IBGZPJMESA-N	408.548	5.486	30	20	HKED	
Cc1cc(C#N)cc(NC(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)nc2O)c1	1642592691	YEYJGUPYGXWTIK-UHFFFAOYSA-N	412.493	5.150	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCCC1	1723987385	SPPPDDUUMPROQO-CVEARBPZSA-N	401.942	5.000	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C)s4)CCC3)cc2)C1	1785806720	CAJZIMFNCLCAPP-UHFFFAOYSA-N	408.567	5.089	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C)n3)cc2)CCC1	1787321309	KHMLLAKODCZPIB-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)sc2c1	1787888963	TXIPTFBGMVQZKQ-UHFFFAOYSA-N	417.534	5.261	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(C)on3)cc2)CCC1	1789570593	LKAOGRNEBZHNFC-OUKQBFOZSA-N	421.541	5.123	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C)c3)cc2)CCC1	1789750540	ORBRJTCCKSOYSQ-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
COc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccccc2Cl)cc1	15237498	PINOUMGLMCAEBF-HNNXBMFYSA-N	423.929	5.132	30	20	HKED	
C=CCc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(OC)c1OC	16224958	AYRVCWXSJMNGBR-QGZVFWFLSA-N	422.550	5.062	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1	31401143	OFQQEGXKLWDIOF-KRWDZBQOSA-N	409.489	5.065	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	48824147	VBKYHVVHTQEGFC-HXUWFJFHSA-N	409.470	5.237	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(c2ccccc2)CC1	53264194	ALPPBIOKBSVCCR-UHFFFAOYSA-N	413.546	5.108	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC	97545453	KDBDWRUSOKESEQ-CQSZACIVSA-N	419.472	6.012	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1cccnc1	303209727	QNLPYAMGLALMRQ-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1	426253307	SBHBSHFIMZQCHW-CABCVRRESA-N	405.258	5.193	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1-c1ccccc1	428301115	JNUOUVBYYYJHRZ-UHFFFAOYSA-N	419.699	5.676	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	429062968	GTBFKYANNRQJDO-UHFFFAOYSA-N	400.910	5.108	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CO[C@@H]1CCCc2ccccc21	430395893	RVEDSWYLVNUVKG-HSZRJFAPSA-N	413.477	5.087	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2	431493420	HSXRWGJGCQJJBD-DEOSSOPVSA-N	412.489	5.009	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N(C)CC(C)(C)C#N	432963932	BARPCTRRDCXCQP-UHFFFAOYSA-N	421.520	5.745	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1	434163562	NJSZSEHLKQYBSQ-OAHLLOKOSA-N	419.403	5.165	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2C)c1	435365897	WFBVEUATLZWIJP-KRWDZBQOSA-N	404.539	5.444	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1)c1ccccc1	435763228	QFXDURNLWSKDFD-JTHBVZDNSA-N	420.944	5.568	30	20	HKED	
CCCOc1ccc([C@@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OC	436064632	ZXKNZHWFEPKXOM-GOSISDBHSA-N	419.525	5.233	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Br	436331787	OEGKFWPALIZJDM-SJLPKXTDSA-N	403.707	5.014	30	20	HKED	
Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)c1ccccc1	436359499	KNAAYSHLVPJFFU-ILBGXUMGSA-N	423.516	5.159	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C	436420423	SWBLXDRAHULYLE-UWJYYQICSA-N	404.510	5.026	30	20	HKED	
C=CCC[C@@H](NC(=O)C[C@H](NC(C)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1	441576293	QOJSNUOHTJOUBT-RTWAWAEBSA-N	418.459	5.096	30	20	HKED	
COc1ccc2sc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c(C)c2c1	460369434	LTXGEMUYAZGKOF-UHFFFAOYSA-N	416.506	5.145	30	20	HKED	
C[C@H]1CN(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCC1(F)F	460837152	BCAVIUTXLSFOKQ-GXFFZTMASA-N	418.328	5.386	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccs1	461754345	IHCJCHSHNMGXKW-ZDUSSCGKSA-N	418.975	5.274	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(c2ccccc2F)C1	463514130	QDNNDEMUZBVZMP-UHFFFAOYSA-N	401.441	5.429	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1	464823626	QTLDNYDRZAXWKG-DNQXCXABSA-N	403.570	5.644	30	20	HKED	
CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	467021338	GKHKUZYINYOZFC-FYYLOGMGSA-N	423.582	5.470	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(F)c(OC(F)F)cc1F	468202512	SFCSMUGHUTUTOF-UHFFFAOYSA-N	400.331	5.357	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	468801080	CTFIBOCEKVTAEI-UHFFFAOYSA-N	415.280	5.185	30	20	HKED	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	469009335	PLDPVLDSTDEBTG-AWEZNQCLSA-N	412.465	5.106	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCSc3ccncc32)c1	469522485	TUZLNKKILDJVLD-UHFFFAOYSA-N	407.882	5.151	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1	469827821	OXOLLAHNRKFBPA-QGZVFWFLSA-N	409.505	5.167	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3ccccc3)c3ccc4ccccc4c3)o2)cc1	471666603	CANHDUHCVYGKNT-SANMLTNESA-N	416.484	5.641	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1cccc(Cl)c1F	473428921	SCROAPYMTUKQBI-AWEZNQCLSA-N	419.953	5.337	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2N(C)C2CCCC2)cc1	475030904	JPQSWIDBOQERLN-UHFFFAOYSA-N	407.518	5.017	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCc3c(O)cccc32)cc1	475982229	HOVXMGHFNDWGSN-NRFANRHFSA-N	414.461	5.123	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccc(Br)cc1OC	476130803	CWEGLCVQAVBUJB-UHFFFAOYSA-N	416.359	5.881	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCc1c(F)cccc1Cl	476940248	HNMXGDVGTYAPDR-AWEZNQCLSA-N	422.978	5.645	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1[C@H](NCc1ccc(Cl)cc1C#N)C(F)(F)F	480870082	QGYOAGMRUDVHRQ-FQEVSTJZSA-N	418.850	5.407	30	20	HKED	
C[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccccc1Cl	483323932	JSAROTHOLPDISB-HUUCEWRRSA-N	403.935	5.323	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1	485460059	BQMJALRMJJDGCE-UHFFFAOYSA-N	410.926	5.080	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	485678643	QCYWVDUBFBRNOY-UHFFFAOYSA-N	422.431	5.310	30	20	HKED	
C=CCC[C@H](C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)c1ccccc1	489640959	TUVNNQHCGWVBTQ-KRWDZBQOSA-N	407.495	5.431	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ncc(-c4ccc(C)cc4)o3)o2)cc1	489751063	BPJCGZZNRBHONM-UHFFFAOYSA-N	405.479	5.557	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)cc(Br)c1F	490518455	AHEZBPUAQCCENL-YOEHRIQHSA-N	420.257	5.031	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1Cl	494197470	FTGWZQGSPIAVOR-AEFFLSMTSA-N	403.860	5.695	30	20	HKED	
COc1ccc(Br)cc1-c1nc(CSc2ccc(C#N)cn2)cs1	498151405	PUYIEVGWJDAKIF-UHFFFAOYSA-N	418.341	5.140	30	20	HKED	
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1	502537493	KJNJRDOJACAFCF-QHCPKHFHSA-N	421.522	5.163	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cn3ccsc3n2)cc1Cl	503960991	DPYSNBWWSRTTPG-SFHVURJKSA-N	421.913	5.026	30	20	HKED	
Cc1nc(CCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)oc1-c1ccccc1	505308983	WWCGSAKMMLTROG-KRWDZBQOSA-N	414.292	5.271	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c2cc(Br)ccc2n1	505311904	NKGKKGUCMBEBLU-HNNXBMFYSA-N	422.307	5.406	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3cc(C#N)ccc3C)s2)cc1	506773412	BBDRNHDLKHVXQC-OAHLLOKOSA-N	406.511	5.190	30	20	HKED	
CCN(Cc1ccccc1C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509912192	OVZDWJBIAWLFIH-UHFFFAOYSA-N	413.521	5.694	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]3c3cccc(C(F)(F)F)c3)o2)cc1	511810260	TYBJFQDYOSFGDV-RTBURBONSA-N	412.415	5.053	30	20	HKED	
CC(C)CN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccc(C#N)cc1	512283556	QOHZEMVFMBVCFX-UHFFFAOYSA-N	423.969	5.491	30	20	HKED	
Cc1cccc([C@@H]2CCCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1C	513628522	LGZRYKMUQBNPLX-DEOSSOPVSA-N	419.544	5.284	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccc(C(F)(F)F)cn1	513733248	OXZCFBHPPBOVQF-HXUWFJFHSA-N	417.390	5.806	30	20	HKED	
COCc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513991817	KJTZTEUNUVHUKR-UHFFFAOYSA-N	403.457	5.078	30	20	HKED	
CCOc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	516466037	JGPDTMWKSZVCIZ-UHFFFAOYSA-N	402.519	5.179	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2cccc3cccnc23)cc1	517354810	FKFGAKHMWFQHGH-UHFFFAOYSA-N	411.436	5.010	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2o1	517800957	SAFDPPBAGXLIHH-LJQANCHMSA-N	402.837	5.550	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N	520826167	DAUVLIYQEJNXME-CYBMUJFWSA-N	415.584	5.545	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	523245006	OPYGOIKNTXTXDA-CQSZACIVSA-N	407.882	5.239	30	20	HKED	
CCn1c(-c2csc(N(C(C)=O)c3ccc(C)cc3)n2)nc2cc(C#N)ccc21	534628260	PGCYVLFWAWTPDY-UHFFFAOYSA-N	401.495	5.044	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccc(C#N)o1	537313375	DCIYBBKBHJFXRV-LLVKDONJSA-N	402.317	5.197	30	20	HKED	
C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCO1	537667574	YBVLPTLEOIKKQI-DYVFJYSZSA-N	419.403	5.058	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	538290057	GAWWMSQTAGWZCW-UHFFFAOYSA-N	420.488	5.395	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1	539172910	OJXSRJWUDQNWTD-GOSISDBHSA-N	407.823	5.181	30	20	HKED	
CCN(C(=O)c1cc2cc(Br)ccc2o1)c1ccc(C#N)c(Cl)c1	540274260	LUDFVMQPSSDOJM-UHFFFAOYSA-N	403.663	5.387	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1[C@@H](C)C1CC1	540735223	BJJRJRIGOTXXIG-HRAATJIYSA-N	418.928	5.724	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)c1ccc(-c2cccc(C#N)c2)cc1	541138674	ZOKASUJFRFLBDZ-SFHVURJKSA-N	419.484	5.194	30	20	HKED	
C[C@@H](CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nccs1	541418573	WHWDBFTYCVHMLS-AWEZNQCLSA-N	411.914	5.336	30	20	HKED	
Cc1nn(C(C)C)cc1CNc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	543996881	NKPGDOOEPOLHGZ-UHFFFAOYSA-N	419.476	5.322	30	20	HKED	
C=CCCCN(C)c1nnc([C@H](C)Oc2ccc3ccccc3c2)n1C[C@@H]1CCOC1	549641689	SCVZYBLADHGMCP-PMACEKPBSA-N	420.557	5.010	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](COC(F)F)C3)cc2Cl)cc1	554169423	QVXFUVTULXADOY-CQSZACIVSA-N	421.831	5.097	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3C(F)F)cc2Cl)c1	554429966	ICLKHEKNPPAHHF-QGZVFWFLSA-N	405.832	5.052	30	20	HKED	
COc1cc(CN(C)C2CCC(F)(F)CC2)ccc1OCc1cccc(C#N)c1	558176619	FRVJNTRABPKNFU-UHFFFAOYSA-N	400.469	5.156	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1cc(Cl)ccc1C(F)(F)F)c1ccccc1	558226189	DFGMKVQSSRTKIX-UHFFFAOYSA-N	423.822	5.024	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)ccn1	576747282	NLFFYACVVOBMTJ-LSDHHAIUSA-N	418.419	5.236	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ccccc3OCc3ccccn3)cc2)ccn1	581517978	GLCBNWOMTFHBBN-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
N#Cc1ccc(Sc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1[N+](=O)[O-]	583116283	FKZUVCBZLYRLOQ-UHFFFAOYSA-N	419.510	5.305	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl	588875301	CQLIAXJUOFFNQU-UHFFFAOYSA-N	416.239	5.373	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSCc1ccc(F)cc1	603739823	IOYMGJDOCYENCV-UHFFFAOYSA-N	407.470	5.065	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)n1	609018492	BWINGGYBNZFMGZ-UHFFFAOYSA-N	415.478	5.107	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccn1Cc1ccccc1	609072694	XKVPIOWTXICEDB-UHFFFAOYSA-N	421.500	5.548	30	20	HKED	
CCC(=O)Nc1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609208960	LTVCFYPMGGWGBZ-UHFFFAOYSA-N	414.465	5.021	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1	609210847	NPFLPMHERLBPCX-UHFFFAOYSA-N	415.449	5.046	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)c(F)c1	609299423	SXZNPSPLYQZKJB-OAQYLSRUSA-N	412.436	5.125	30	20	HKED	
Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c1Cl	609429229	LXGRWCXHLOQAGQ-LBPRGKRZSA-N	415.367	5.497	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C2CC2)no1	609434331	UUFLQXYMCBFJPW-HXUWFJFHSA-N	417.469	5.130	30	20	HKED	
CC(C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(Cl)c1	609502688	ABNJUQSQOIMALE-UHFFFAOYSA-N	405.885	5.107	30	20	HKED	
N#Cc1ccc(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1Cl	609513210	OKSWVVJXVZIOKJ-UHFFFAOYSA-N	420.875	5.557	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(Br)sc2Br)s1	609725156	JUDZWGQVOKEVLC-UHFFFAOYSA-N	420.151	5.021	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CSc3ccccc32)cc1	609807644	HEXFQVVECNCZDN-JOCHJYFZSA-N	415.518	5.300	30	20	HKED	
N#CCc1ccc(NC(=O)CNc2ccccc2OCc2cccc(Cl)c2)cc1	609894163	ILXVSFTUGZDLTF-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccccc2)on1	609900587	KFBYNPAUQAHDOP-INIZCTEOSA-N	423.563	5.608	30	20	HKED	
C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1cccc(C#N)c1	610364971	YUOQOSWODVPKNL-INIZCTEOSA-N	413.502	5.483	30	20	HKED	
Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	610729933	ZEVDSBNIWOXTQM-OAQYLSRUSA-N	420.900	5.023	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C	613373024	VSRYEZXOALDJIV-UHFFFAOYSA-N	417.412	5.270	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c(F)c2)cc1	674445837	VQAHNUDKQNFPLY-HOTGVXAUSA-N	419.340	5.614	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc2ccccc2n1	677557011	ALMKOUZQAOZFPX-OAQYLSRUSA-N	400.441	5.335	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(OCc2ccccn2)c1	682777379	QWDHRJFGYGGITH-UHFFFAOYSA-N	415.537	5.834	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=Nn1cnc2ccccc21	725849561	MMZDGAJHHMEMTQ-UHFFFAOYSA-N	403.795	5.085	30	20	HKED	
C#Cc1cccc(NC(=S)N(CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)c1	726484549	OTTMZBMLKWAXOG-OAHLLOKOSA-N	406.473	5.093	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1Cl	726626598	ILOXTWRDQNYEHK-CHHVJCJISA-N	424.856	5.636	30	20	HKED	
Cc1cccc(C)c1NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	727979339	UIXUMNIRVJPUIS-UHFFFAOYSA-N	421.953	6.216	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3cccs3)n2)ccc1SC(F)F	728440931	YIOLOKQVWLTTAO-WAYWQWQTSA-N	409.504	6.091	30	20	HKED	
N#CCOc1ccc(CNCc2ccc(-c3ccc(Br)cc3)s2)cc1	729685285	DNSKKLXCAOFQNK-UHFFFAOYSA-N	413.340	5.370	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F	730995817	URXRLWJQEVWVKH-OAHLLOKOSA-N	408.473	6.136	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2COc2ccccc2)c1	733843113	AFLQBIFNMQOWGN-NRFANRHFSA-N	415.493	5.268	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(C)c2)Cc2ccco2)c1	733851529	BWYSNWPGQWNAQH-JOCHJYFZSA-N	417.509	5.181	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccncc1	734667715	MVSYUSWQYRALSY-UYAOXDASSA-N	422.529	5.338	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C\c1csc(-c2ccc(F)cc2)n1	741843088	YGWNTSGAQQCYFL-KTKRTIGZSA-N	401.434	5.010	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)nc1-c1ccccc1	742254259	GFTFJWZJMKDYGS-FQEVSTJZSA-N	402.454	5.586	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C/c1cn(-c3ccccc3)nc1-c1ccncc1)C2=O	742436525	BYILWPUMAZZDQI-QNGOZBTKSA-N	402.457	5.018	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	742510179	JAYFGTQYXDYEEX-YLJYHZDGSA-N	414.571	5.165	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1nc(-c2c(F)cccc2F)cs1	744073298	CRNSSTPUFZMDQA-JHJVBQTASA-N	416.399	5.346	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccnc(Oc3ccccc3)c2)cc1	749337638	ITVKKTYGRLVHJO-VGSWGCGISA-N	413.477	5.349	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccn3)s2)CCc2nc(-c3ccc(F)cc3)sc21	753144980	SKJXTBBPVNKFFF-KAMYIIQDSA-N	419.506	5.680	30	20	HKED	
CC(=NOCc1ncc(-c2ccccc2F)o1)c1nc2ccccc2n1C(F)F	754275819	HOAKRLUJJGJQCV-UHFFFAOYSA-N	400.360	5.166	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)OCC3CCC(C#N)CC3)c2)cc1	755971723	BLPDLSOKTTWDSO-UHFFFAOYSA-N	419.521	5.274	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1	762306472	XEPPUOMJLHEHIO-UHFFFAOYSA-N	404.457	5.341	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1	764808375	RUDUCJUQPFFSJS-UHFFFAOYSA-N	411.427	5.276	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Br)cc2Cl)c(OC)c1OC	765612486	BXWVYXCJBFWHAU-YWEYNIOJSA-N	411.679	5.024	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(OCc3ccccc3)cc2)c1	772982521	HIJKVUTXSRMILR-GBXCKJPGSA-N	400.522	5.797	30	20	HKED	
CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1cccc(Br)c1	772987865	YSFHKRIFUQYXCD-MOPGFXCFSA-N	417.347	5.380	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	775581098	GNWIWLLGZBKZID-IYBDPMFKSA-N	419.978	5.235	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1	775605046	BXRGGBDEZHVHHZ-UHFFFAOYSA-N	421.950	5.969	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCc2c(Cl)cccc21	776076511	HAUHCWAQVXFWFK-UONOGXRCSA-N	407.684	5.024	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1	779103149	AHESLYRISSRAIC-UPVQGACJSA-N	401.466	5.155	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(OC)cc2)c2ccccc2Cl)c1	779105370	XDNPMDWPTWBASX-CJFMBICVSA-N	420.940	5.909	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1	780159886	PZIKGCHWVQFZJP-INIZCTEOSA-N	414.490	5.144	30	20	HKED	
Fc1cccc([C@H](NC(=S)Nc2ccc(OC(F)F)cc2)C(F)(F)F)c1F	783758411	XPUTYHQNJKPWDU-ZDUSSCGKSA-N	412.330	5.156	30	20	HKED	
C#CCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)CCCCC1	788435318	YNSUAXALUUWLCZ-UHFFFAOYSA-N	424.566	5.017	30	20	HKED	
C=CC[C@H](NCc1cc(Br)c(C)c(Br)c1)c1ccncc1	790543955	MKLLTLJWKIJTGH-KRWDZBQOSA-N	410.153	5.322	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)c2C(C)C)cc1	792353743	BDUSYBUHEOHWLX-KRWDZBQOSA-N	403.486	5.239	30	20	HKED	
CC(C)(C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1cc(F)cc(C#N)c1	797088116	LMRIIHMHXBDJSG-XMMPIXPASA-N	416.496	5.280	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cc(F)c(Br)c(Cl)c2)c(Cl)c1	804807247	CZFHWKMSITXYSH-UHFFFAOYSA-N	422.468	5.672	30	20	HKED	
C[C@H](N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)c(F)c1	810263839	UJKPAKGINWIWBD-HTAPYJJXSA-N	411.521	5.394	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)s1	810521126	KZRHSSOQQIXRSL-OAHLLOKOSA-N	407.495	5.158	30	20	HKED	
O=C(/C=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cc(Br)ncc1F	811693194	HQBSJHHMNOYYTO-OWOJBTEDSA-N	420.021	5.094	30	20	HKED	
N#C[C@H](Cc1ccccc1)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814772037	MIEJPTPLXXECQS-YLRSXTQRSA-N	406.557	5.740	30	20	HKED	
C#CCOc1ccc(Br)cc1CNc1cccc(NCC(F)(F)F)c1	864040311	QXZRNMPGWCBZDR-UHFFFAOYSA-N	413.237	5.047	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2nc3ccccc3s2)o1	916341895	ODURKIHWGGWNFI-UHFFFAOYSA-N	417.519	5.294	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1	917043868	ORDPUEWNBHPFAV-MORRKMRCSA-N	412.845	5.920	30	20	HKED	
CCCCn1nc(C)c(C=NNc2nc(C(F)(F)F)nc3ccccc23)c1Cl	917215670	YOFMTONRXMATNF-UHFFFAOYSA-N	410.831	5.053	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H]2c2ccccc2Cl)c1=S	917482049	DNLIENOTXKKRKK-QGZVFWFLSA-N	400.935	5.308	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2cccc(F)c2)c1=S	917487572	UPQDNTKPNYIGSI-FQEVSTJZSA-N	424.545	5.209	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1	919904622	PVGSBHXDMAUCKD-UNMCSNQZSA-N	417.896	5.641	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1	1790859969	SCWMSFXNHNIKNN-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1	1790978982	MUSWLFZFWQSZOH-UHFFFAOYSA-N	419.912	5.212	30	20	HKED	
CCn1c(SCc2ccc(C#N)cc2)nc2scc(-c3cccs3)c2c1=O	4801624	GPFUKUHIAICHLG-UHFFFAOYSA-N	409.561	5.370	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccccc2F)cc1	11169564	OBQVUYWOGNQAFM-UHFFFAOYSA-O	413.925	5.380	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)n1	18535869	JZZHKAQXHQBBQX-LLVKDONJSA-N	413.852	5.362	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3)cs2)cc1	22216662	YVBTWUUANROKEW-UHFFFAOYSA-N	423.563	5.248	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1	39776282	BIPGERIISLWQDS-GOSISDBHSA-N	416.889	5.671	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc3cccnc23)cc1	65819440	IOMOHVQLYLEDOJ-UHFFFAOYSA-N	410.452	5.480	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SCCC#N)s2)cc1	78668599	QJZWYXLYTLHHGW-UHFFFAOYSA-N	423.563	5.775	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1Cl	107876402	PIBHVVPZFRZPJX-NRFANRHFSA-N	416.912	5.243	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1ccccn1	149545129	TYBGMHRUEOQGTN-INIZCTEOSA-N	411.230	5.266	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1F	216106591	MDNPSQWFFSQBTE-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
C[C@H](Nc1nc2cccnc2nc1N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	301612482	FZAJOCWPYGWTKM-IRXDYDNUSA-N	419.492	5.114	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1F	303323983	IFLQWAHKUPWBRJ-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	303504182	RYHAGGLYLKZCPV-KBRIMQKVSA-N	404.457	5.699	30	20	HKED	
CCN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1Cl	427244071	BCEYCPPLLXMOOY-UHFFFAOYSA-N	424.715	5.014	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1	430910468	UQGAMMLKHKGDJB-JOCHJYFZSA-N	421.953	5.602	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)c1ccc(Br)cc1	431927603	SGSCHFIOBDUSRO-HUUCEWRRSA-N	417.372	5.833	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c12	436372899	YMSACTNAWACONV-GMAHTHKFSA-N	422.488	5.110	30	20	HKED	
C[C@H](NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1	437827829	IVLVVXYMWAOHAZ-LSDHHAIUSA-N	401.432	5.573	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)c1	438066973	NHFWRMVAQDKIPF-JWQCQUIFSA-N	422.488	5.654	30	20	HKED	
C[C@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)c1cccc(C#N)c1	442905929	FECYABGZIQNXOO-MOPGFXCFSA-N	417.582	5.539	30	20	HKED	
N#Cc1ccc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1C(F)(F)F	443891817	MLYAFKUQKAMGKA-UHFFFAOYSA-N	424.304	5.034	30	20	HKED	
CCCN(CC(F)F)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444018741	IIXUVHWDCLWGET-GFCCVEGCSA-N	406.317	5.386	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)C[C@H]1c1cccc(F)c1	444170049	SZMAFJIONYLOOA-LZJOCLMNSA-N	411.546	5.099	30	20	HKED	
CCC[C@]1(CO)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	444843235	AEOCZQIQSZOHNU-NFBKMPQASA-N	411.933	5.154	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2Cl)c1	445791857	AKAJWTWJRYVCGI-UHFFFAOYSA-N	423.806	5.193	30	20	HKED	
CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](c1ccc(Cl)cc1)c1ccccn1	445792734	DUGUIYOQEYVFFU-NRFANRHFSA-N	411.839	5.137	30	20	HKED	
N#Cc1ccccc1Cn1cccc1CNc1ccc(C(=O)Nc2ccccc2)cc1	446880842	JFEYXOPUGWDREL-UHFFFAOYSA-N	406.489	5.272	30	20	HKED	
CSc1cccc(F)c1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	462268931	DHTHATKLJWIDFA-FQEVSTJZSA-N	406.482	5.121	30	20	HKED	
Cc1ccc(N(C(=O)[C@@H](C)c2cccc(C#N)c2)c2nc3ccccc3s2)c(C)c1	463575728	MTNLPVJPVXFJJD-SFHVURJKSA-N	411.530	6.253	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	464264305	IRLWYOVXKAORBP-QGZVFWFLSA-N	416.525	5.296	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1	464816160	VOFFRHHCQPRASA-OALUTQOASA-N	412.415	5.027	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1Cl)c1nc(O)c2c(-c3ccco3)csc2n1	465388778	PBYPWGVVCMYVMW-SNVBAGLBSA-N	413.911	6.035	30	20	HKED	
COc1cccc([C@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2Cl)c1	466035664	GWMWPPRJCNWAET-QHCPKHFHSA-N	419.912	5.151	30	20	HKED	
CC(C)COc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	468899503	GMCSPSGGOUUPFY-IBGZPJMESA-N	405.542	5.477	30	20	HKED	
CCOc1c(Cl)cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1Cl	469340953	PVYIMWHONRGZSE-UHFFFAOYSA-N	402.237	5.171	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1	469408056	NFIJPJVEWWMHQR-AWEZNQCLSA-N	406.473	6.031	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2cnc3ccccc3c2)cc1	470826206	HSMMGMBINYVOHH-UHFFFAOYSA-N	423.491	5.407	30	20	HKED	
Cc1nc2c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cccc2o1	470832156	OPNBNDSSMSWJSI-IBGZPJMESA-N	401.853	5.697	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)csc1Br	476020368	KLHFPHXPRZTCIG-GFCCVEGCSA-N	404.116	5.121	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(-c4csc(C(F)(F)F)n4)cc3)cc2)CC1	477700966	IPXTYHYCIHRWCP-UHFFFAOYSA-N	413.424	5.636	30	20	HKED	
Cc1ccc(C)c([C@H](C)N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1	479190532	OOXFIRDPVUWUGX-KPQWGBOZSA-N	405.542	5.268	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccccn1	481373066	MTWXSONMXOYJBD-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)Nc1cc(F)c(OC(F)F)cc1F	483624879	RZERLLSTBUWCHG-RKDXNWHRSA-N	402.310	5.056	30	20	HKED	
C[C@H](CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1c[nH]c2ccccc12	486138477	PIGDFBKRTRFIKP-CQSZACIVSA-N	403.873	5.011	30	20	HKED	
Fc1ccc([C@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)cc1	488162537	NVSFPYYYUSEZAV-INIZCTEOSA-N	418.312	5.893	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC2(CCOCC2)C1	488376165	DPXFZULZMOINEZ-UHFFFAOYSA-N	405.498	5.084	30	20	HKED	
CC(C)(C)n1ncc(C(=O)Nc2cccc(OCCCC#N)c2)c1-c1ccccc1	489053391	RHYIPIHCYUHOBO-UHFFFAOYSA-N	402.498	5.240	30	20	HKED	
C[C@H]1CCc2nc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)sc2C1	490767920	ILKSFKRNQCJWLA-HNNXBMFYSA-N	419.575	5.684	30	20	HKED	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	491470189	QKKNBQRAMYAJFJ-LAUBAEHRSA-N	423.582	5.089	30	20	HKED	
COc1ccc(-c2nc(CSCCOc3ccc(C#N)cc3)cs2)c(OC)c1	498120142	ZFKIUEPOLKYRDD-UHFFFAOYSA-N	412.536	5.011	30	20	HKED	
CC[C@@H]1C[C@]1(NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C)c1	502561849	WRNFPKNWDXFLFK-KHCICDEESA-N	407.583	5.100	30	20	HKED	
N#CCCn1cc(CNc2ccc(Cl)c(OC(F)F)c2)c(-c2ccccc2)n1	503927581	LJSDVTOGIJESRC-UHFFFAOYSA-N	402.832	5.331	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)c1ccc(Br)s1	505314908	RSEWYPVIQIYKCP-KWQFWETISA-N	418.143	5.302	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1	505685730	FYGHTDXEBGPMPV-QZTJIDSGSA-N	418.415	5.666	30	20	HKED	
O=C(CNc1cccc(C(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	506905977	UUFVJKZHFYDOHL-UHFFFAOYSA-N	412.280	5.712	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1Br	508875681	WQKKGPHWDPJQCY-UHFFFAOYSA-N	418.335	5.249	30	20	HKED	
CC[C@H](CC1CCCC1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	510215144	HSQPAEKHJMCUKW-QGZVFWFLSA-N	400.573	5.247	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc(-c2ccncc2)cs1	512963222	BCVJIJXMKIYIKR-GOSISDBHSA-N	414.515	5.241	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	515023230	GSCWXSKPIWYABO-QGZVFWFLSA-N	408.461	5.111	30	20	HKED	
CCc1nc2cc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)ccc2o1	515715541	DPJYYUZYVSLCGC-ZDUSSCGKSA-N	408.527	5.031	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1	517531370	CFTQVMBJFIPHNF-DNVCBOLYSA-N	415.946	5.340	30	20	HKED	
CN(C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	518829958	IYBVQHDDSJDQTD-KWCYVHTRSA-N	400.338	5.192	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	522342610	FSTSDCSNYUJHSF-PXNSSMCTSA-N	400.453	5.508	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21	523218617	PTLQDUFBQWVGMP-QFIPXVFZSA-N	404.535	5.637	30	20	HKED	
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	524767828	MZLXZNOCJMPEOL-RPWUZVMVSA-N	414.505	5.529	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ncsc3C(F)(F)F)c2)cc1	527448027	IYDKYZSVRKMZSS-UHFFFAOYSA-N	417.412	5.059	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)c1	533674748	HRLZIJAOLPGDDM-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)CCc2ncc(-c3ccccc3)o2)cc1	537995668	NLIFXWOSQDPOER-UHFFFAOYSA-N	407.473	5.129	30	20	HKED	
N#Cc1ccc(CN2CCC(NC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	540592534	VEXJZNVISTYLQB-UHFFFAOYSA-N	417.503	5.180	30	20	HKED	
CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1	540878228	IWHDZGGMEOJUFU-UHFFFAOYSA-N	413.477	5.131	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCOc2ccc(F)cc21	548080916	HBUKNFMNHTVTQZ-JOCHJYFZSA-N	417.440	5.443	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccsc1Cl	551131402	LHMWQTJKKPPYQD-UHFFFAOYSA-N	412.898	5.178	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(Cl)cc2)CCC1	551465597	MZFQGNFLWNQBTC-MRXNPFEDSA-N	413.974	5.342	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)n1	560029661	WXWGCXNKMXHLKS-CQSZACIVSA-N	408.329	5.250	30	20	HKED	
Cc1ccc(C)c2c(C)c(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)oc12	560755250	BPWZDBPOGALSEN-UHFFFAOYSA-N	406.457	5.052	30	20	HKED	
Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1	569015420	IDCSYPUAJISTAW-PZJWPPBQSA-N	407.583	5.733	30	20	HKED	
Cc1c(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)ccc(C(F)(F)F)c1F	571443691	CQRPNCIXEZQWAZ-UHFFFAOYSA-N	405.273	5.208	30	20	HKED	
Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571724772	OVWBMHIWNZNLAQ-UHFFFAOYSA-N	402.454	5.527	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCNC(C)=O)Cc1ccc(C)s1	573024464	LZUWMJHYPIBPNV-UHFFFAOYSA-N	413.587	5.079	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cnn(C)c2-c2ccccc2)cc1	573908408	SIDHNHUAFBHWRK-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc(-c2cc3ccccc3n2CC#N)n1	586757813	MATJYLWMMIZOQC-IBGZPJMESA-N	420.900	5.427	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(CCC2CCCCC2)o1	589273869	KAFHUYHVLFNRKY-INIZCTEOSA-N	419.616	5.339	30	20	HKED	
COc1ccc(O[C@@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	603532440	HOWYZWGGLRJDLY-SFHVURJKSA-N	418.468	5.015	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)CC3	603691031	WEAWPZNYODGBEY-UHFFFAOYSA-N	423.476	5.126	30	20	HKED	
CCOc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	603904746	OIASDDXGYBVMBS-GOSISDBHSA-N	419.308	5.006	30	20	HKED	
C[C@H](c1ccccc1)n1c(SCc2ccc(C#N)cc2F)nnc1-c1ccccc1	603917479	SVNMRLIXHJKOFF-QGZVFWFLSA-N	414.509	5.857	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCCn3cnc4ccccc43)c2)cc1	603923417	HXHDPXPLCDCUTI-UHFFFAOYSA-N	424.504	5.100	30	20	HKED	
N#Cc1cccc(-c2nnc(COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)o2)c1	607757951	AEFDZTOQQOTNFC-UHFFFAOYSA-N	415.836	5.072	30	20	HKED	
C=CCn1c(SCc2sc(C)nc2C)nnc1-c1ccc(Br)cc1	607758565	YAYYUUUGMOENPH-UHFFFAOYSA-N	421.389	5.259	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1Cl	609164272	KKZDABAOIQELIJ-NRFANRHFSA-N	411.892	6.243	30	20	HKED	
CCCN(C(=O)NCc1ccc(C#N)cc1F)[C@@H](C)c1ccccc1Br	609253796	LELBAOZIIXIRTM-AWEZNQCLSA-N	418.310	5.143	30	20	HKED	
CC(C)Cc1ccc([C@@H](C)NC(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1	609431755	LGPIHKHIUITCLC-RBUKOAKNSA-N	409.599	5.569	30	20	HKED	
Cc1csc(CCCCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1	609433783	IUBKEBVDYSHIBE-UHFFFAOYSA-N	406.511	5.260	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)o2)cc1	609508061	UDSZYHNSAWZKNL-SFHVURJKSA-N	406.869	5.013	30	20	HKED	
C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	609601562	XKXDDEXVXWGTRP-VWLOTQADSA-N	412.493	5.331	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	610973809	YSHQAWLGOGOADO-JJXSEGSLSA-N	421.385	5.240	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCC1	618295311	KHZUBCWGOZWDCF-KBPBESRZSA-N	411.361	5.227	30	20	HKED	
O=C(Cc1c(F)cccc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157188	MVTDOYMUVNZYPH-RKDXNWHRSA-N	405.741	5.047	30	20	HKED	
Fc1ccc([C@@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cnccn2)cc1	680337636	YVSDUBVZPYYIGD-RPCCPQHDSA-N	421.360	5.204	30	20	HKED	
COc1cc(C)c(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	681480069	SIQIBSAUGWTIFT-UWVGGRQHSA-N	416.337	5.174	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccc(C)cc2)c1	726572668	IDIBETUAEFSODE-UHFFFAOYSA-O	411.506	5.333	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)c1	726732965	NJXKMBJVCPUOPV-GOSISDBHSA-N	408.910	5.647	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1	726733239	SSOYPBWTNUXGRX-LJQANCHMSA-N	406.482	5.386	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccccc2Oc2ccc(Cl)cc2)cc1	727936379	PWKRAQHFJWIXQY-UHFFFAOYSA-N	407.857	5.356	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C\c3ccc4ccccc4n3)cc2)c1	728005422	KAUZANOSUMHSST-QINSGFPZSA-N	405.457	5.337	30	20	HKED	
Cc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	728120180	VPJISGMPWABJGB-QGZVFWFLSA-N	405.523	5.698	30	20	HKED	
O=C(/C(=C/c1cn(-c2ccccc2)nn1)c1nc2ccccc2s1)c1ccccc1	728695403	WGWXDMSYCAMOLD-HKWRFOASSA-N	408.486	5.301	30	20	HKED	
Cc1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN(C)[C@H](C)CC#N)c1=S	728903563	DBIDURLXHRJDNY-MRXNPFEDSA-N	411.962	5.224	30	20	HKED	
C#CCN(Cc1nc(O)c2c(-c3ccccc3)csc2n1)[C@H]1CCc2ccccc21	728913383	YVENDSPKLPBUMR-NRFANRHFSA-N	411.530	5.187	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OC(F)F)c(Cl)c2)ccc1OC(F)F	731489365	DVQNWMCNPZOSPB-DJWKRKHSSA-N	404.743	5.448	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1	732955500	MIJNNRKAKYYTBV-RUZDIDTESA-N	405.457	5.782	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1	733771997	VHVZHWZYDZPKCO-HXUWFJFHSA-N	406.432	5.243	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2)c1	733851719	IRLZSSDBKNLIRX-DEOSSOPVSA-N	413.521	5.280	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@]3(CC=CCC3)C2)c1=S	733992452	PVOUZBRTQYXOIC-HSZRJFAPSA-N	410.587	5.055	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc(-c2ccncc2)cs1	734080930	AOLNUHGPOPNPTK-FQEVSTJZSA-N	411.486	5.198	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Cc3ccccc3)C(C)C)n2)cc1	740542323	PWZMTXOIJQOEQU-NHCUHLMSSA-N	404.535	5.510	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	742406209	GVCGBVQLWWBJNQ-JOCHJYFZSA-N	412.320	5.363	30	20	HKED	
FC(F)(F)c1ccc2sc(NN=Cc3nccn3Cc3ccccc3)nc2c1	743444658	SLLTVYRXLSSTKS-UHFFFAOYSA-N	401.417	5.006	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)OC(C)(C)C	744016331	LAITXMCIOAAALL-SFHVURJKSA-N	401.466	5.380	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2ccncc2)cc1	745990184	MTZGQPFQXRIGFR-HJWRWDBZSA-N	413.458	5.676	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccccc2Cl)cc1	747638230	XKYXAONDMLZZOD-OAQYLSRUSA-N	404.897	5.793	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)C2c3ccccc3-c3ccccc32)c1	747958304	ZERZDPOCWVZJIP-LJQANCHMSA-N	411.505	5.279	30	20	HKED	
C#CC[C@H](NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1	757773884	RQRWLQAFFVQOAR-FQEVSTJZSA-N	422.916	5.076	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	760786814	XUDXGJQKQYXKKH-FCHUYYIVSA-N	416.452	5.049	30	20	HKED	
COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1cc(Br)ncc1F	762419604	BCZRMWXYFOAVDT-IHWYPQMZSA-N	405.050	5.195	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccccc3s2)cc1	762972952	CBNAVAWOIHNSRS-HNNXBMFYSA-N	411.552	5.122	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1F	765619521	ZTSZVNGAZAWESK-XFFZJAGNSA-N	410.470	5.180	30	20	HKED	
CCC1CCC(N(C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)C2CC2)CC1	767005429	YKVNZOHVVFOSAH-CNBHCMJISA-N	413.562	5.019	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	767589475	ULXYSXSKCKDAHF-JTSKRJEESA-N	415.541	5.485	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	772548235	ZCYXYODAZJPEOB-LOSJGSFVSA-N	423.516	5.104	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)Cc1ccc(Cl)cc1	772647446	YPWXRDOXRVCHSZ-YWZLYKJASA-N	419.937	5.780	30	20	HKED	
COc1cc([C@@H](C)NCc2cc(Cl)ccc2OCC#N)ccc1OCC(C)C	775153227	OOVSPWMVSVNXIY-MRXNPFEDSA-N	402.922	5.137	30	20	HKED	
CCCN(C(=O)Cc1ccccc1CC#N)[C@H](c1cccnc1)c1ccc(F)c(C)c1	776966676	KVLKYZNTMAQCMC-SANMLTNESA-N	415.512	5.166	30	20	HKED	
Cc1cc(CC(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)n1-c1ccc(Cl)cc1	780161260	MHOYWVPXYCTXFI-INIZCTEOSA-N	407.901	5.220	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1	780582014	YEMQZCQUXWCPLK-ZDUSSCGKSA-N	409.433	5.584	30	20	HKED	
C[C@H](NCc1cccc(Br)c1O)c1ccc(-c2cccc(C#N)c2)cc1	782380925	KOBNMEUKMBCABI-HNNXBMFYSA-N	407.311	5.544	30	20	HKED	
COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)cc2)cc1	783705067	GJYIBVWZKXCLQI-UUILKARUSA-N	415.367	5.503	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1cnc(-c2ccc(Cl)cc2)s1	789141741	GEXOGLHCGKGUSI-NTMALXAHSA-N	412.898	5.327	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2cnc(-c3ccc(Cl)cc3)s2)c2ncc[nH]2)c1	789142291	KJZYIWCIQWSYKM-UNOMPAQXSA-N	421.909	5.619	30	20	HKED	
C[C@](NC(=O)c1cc(C(F)(F)F)cnc1Cl)(c1ccc(F)cc1)C(F)(F)F	790975351	PUIZUWLVXHERBR-AWEZNQCLSA-N	414.708	5.100	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1Br	791767864	WFUBJOCMWASFCB-INIZCTEOSA-N	409.283	5.061	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\COc3cc(Cl)cc(Cl)c3C2=O)cn1	792891855	WWKKUPXRVVUNSH-AWNIVKPZSA-N	413.260	5.118	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccnc(F)c1	794718607	BXZVDVJVFUACLE-DAXSKMNVSA-N	415.251	5.676	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(OCC(F)(F)F)c(F)c2)c1	799968523	NFTAFURFJDJOMA-UHFFFAOYSA-N	403.173	5.013	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1	802035379	GBZYLYLMLMJCFP-QRWLVFNGSA-N	400.478	5.010	30	20	HKED	
CC(C)[C@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccccc1C(F)(F)F	803832980	OCFDRLMXXRBYNL-KRWDZBQOSA-N	424.806	5.051	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)c1ccsc1NC(=O)c1ccccc1Cl	804453745	HSRPHYHUMXULPJ-QGZVFWFLSA-N	422.937	5.018	30	20	HKED	
CC(C)(C)OC(=O)NCC1CCC(Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1	810166902	RQSMBUUQSAPWID-UHFFFAOYSA-N	422.529	5.241	30	20	HKED	
CC(=NNc1ccnc(Br)c1)c1sc(Cc2ccccc2)nc1C	814904693	VAKLPLWVIGEPIS-UHFFFAOYSA-N	401.333	5.036	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)c1	815549074	RJIQJQXNKLAGMQ-SDVLMSEASA-N	423.578	5.017	30	20	HKED	
COc1ccccc1-c1nnc(S)n1N=Cc1c(Cl)ccc(Cl)c1Cl	818224940	LDCCXQPWRFWTKK-UHFFFAOYSA-N	413.717	5.085	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1	915353739	QKAMENCHQBSMLG-RUZDIDTESA-N	411.480	5.802	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1	915353812	XSLUFXMQXPONCZ-RSXGOPAZSA-N	418.500	5.648	30	20	HKED	
CCN(CC)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	916678901	FAOSGSJVCNYLQM-RUZDIDTESA-N	412.537	5.510	30	20	HKED	
N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc2ccccc2[nH]1	916844555	MCWYEFLKEVLUPW-FQEVSTJZSA-N	422.463	5.659	30	20	HKED	
CCOc1ccc(OC(C)(C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916974555	LSHLEAVDAPSLDI-FQEVSTJZSA-N	420.534	5.551	30	20	HKED	
CCOc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917044486	SNVCWOJEDPDXHN-OAHLLOKOSA-N	414.914	5.384	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cscc3OC)CCC2)cc1	1789453798	FZJGJJPWWSOUFP-LJQANCHMSA-N	424.566	5.273	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC)c3)CCC2)cc1	1789456272	QJYNQUHTMGGGLY-QHCPKHFHSA-N	418.537	5.211	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccnc3)CCC2)cc1	1789624264	QZXQSGBQJVNTFW-MDWZMJQESA-N	417.553	5.221	30	20	HKED	
C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1	1791228425	POORPNCRGQGKEW-LJRYMGMFSA-N	401.510	5.028	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccsc2)cc1	48161874	WHVSFHUQNYHCOI-QHCPKHFHSA-N	417.534	5.762	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	56618549	BUCSRTACDVYZIA-UHFFFAOYSA-N	417.484	5.607	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCCC)c(Cl)c1	63392651	ZRZQTUMDUCBMJC-UHFFFAOYSA-N	403.866	5.257	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)ccc1OCC	63394443	SOYFCZQBRCOOHR-UHFFFAOYSA-N	403.404	5.196	30	20	HKED	
C=CCN(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ccccc1	71846284	QAGNEZQLIBCHLG-UHFFFAOYSA-N	411.508	5.344	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1Cl	107876399	PIBHVVPZFRZPJX-OAQYLSRUSA-N	416.912	5.243	30	20	HKED	
Cc1nc(CCCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cs1	426268745	RDSIEMOSYAYYJL-UHFFFAOYSA-N	407.514	5.327	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428655988	OGOIZOQFVMNFEX-ROUUACIJSA-N	420.944	5.381	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	429823210	IWQCICZHWBXZAB-UHFFFAOYSA-N	421.909	5.460	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)sc2ccc(C#N)cc12	432425039	KPVRTNRDJFLVCI-UHFFFAOYSA-N	401.495	5.242	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	437838136	KPYNCXZMVDDTIW-SFHVURJKSA-N	415.493	5.454	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)c(OC(F)F)c1	439528839	MMXVIIQMWIQLEK-UHFFFAOYSA-N	404.467	5.107	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CCC#N)c1ccccc1	440248108	YVYKEPATUJQNNQ-FQEVSTJZSA-N	403.448	5.670	30	20	HKED	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1cccc(C#N)c1	442668034	BGEBENHWKFDIPF-CVEARBPZSA-N	403.448	5.377	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1	447380798	FIKMVEINWCAEDZ-XLIONFOSSA-N	403.551	5.631	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCSc3ncccc32)c1	460349688	OPTMYZZKQUXYNZ-UHFFFAOYSA-N	407.882	5.151	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNc2nc(C)c(C#N)cc2Cl)on1	461974631	UIGZBUGNUXOPES-UHFFFAOYSA-N	404.857	5.344	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1	462822747	PQUBESYXTMHLGO-UHFFFAOYSA-N	411.431	5.092	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1ccc2ccccc2c1)C1CC1	466601629	NSUJKSYTSYKXHX-UHFFFAOYSA-N	400.482	5.114	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1occc1COc1cccc(C#N)c1	466889549	ZMXQSPGFZTZZAS-RXVVDRJESA-N	400.478	5.139	30	20	HKED	
COc1c(Cl)cc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1Cl	469135346	YMDOILLWEFMSFQ-UHFFFAOYSA-N	402.281	5.513	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1	469515126	HGWUWVVGMZZYIP-KRWDZBQOSA-N	418.566	6.145	30	20	HKED	
C=CC[C@H]1N(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)CCCC1(C)C	470266789	MHLBMFQAHLDKOZ-QGZVFWFLSA-N	416.616	5.027	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1OCC(F)(F)F	471755723	MUCFEFWFBYGUPI-UHFFFAOYSA-N	422.712	5.424	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1	476062115	NYAIBCHIRIJBPD-SSEXGKCCSA-N	416.546	5.189	30	20	HKED	
C=CCn1c(S[C@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccc(OC)cc1	477437423	FJHZYWYKGBRXCH-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccco1	481265520	DDUWKUXTMRXXIZ-UHFFFAOYSA-N	423.325	5.152	30	20	HKED	
C=C(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c(F)c1	481573467	QEUQISPRQSGXFR-IVZQSRNASA-N	415.509	5.062	30	20	HKED	
C=CCN(C(=O)c1oc(C)nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	481763574	DPNZAEUWQYVILN-UHFFFAOYSA-N	408.310	5.555	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N[C@H](CCCC#N)c3ccccc3)s2)cc1	487320469	AHFDENSCLXTBFA-OAQYLSRUSA-N	419.550	5.682	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(F)c3)s2)c(C(F)(F)F)c1	487348605	CCZYFZWPEWAVNX-UHFFFAOYSA-N	405.376	5.016	30	20	HKED	
CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C1CC1	498188519	YUMBUCNSPUUBLA-UHFFFAOYSA-N	420.900	5.740	30	20	HKED	
CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](c1ccc(Cl)cc1)C1CCCC1	499913963	STXLBDVOSIZXMK-JOCHJYFZSA-N	406.917	5.625	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccccc2F)cc1Cl	503668774	ZDEKIWWFJHSYIM-IBGZPJMESA-N	423.875	5.335	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(-c2ccco2)s1	504302959	CVXZJHYENCYNOS-UHFFFAOYSA-N	401.447	5.628	30	20	HKED	
C=CCC[C@H](NC(=O)NC[C@@H]1CCCn2cc(C)nc21)c1ccc(C(F)(F)F)cc1	506094482	VRLYEOTVZNMZEA-HKUYNNGSSA-N	420.479	5.094	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ncc(C(C)(C)C)o2)cc1	509934301	JWTWFAVDIWBRHH-UHFFFAOYSA-N	419.481	5.216	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	515644626	VUUZGMHNTWLSDF-UHFFFAOYSA-N	424.953	5.791	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	517076324	FDJLKSUVRXYDGN-UHFFFAOYSA-N	408.473	5.401	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	517599908	QHPWNQUKRZBRMG-UPVQGACJSA-N	419.544	5.017	30	20	HKED	
CC[S@](=O)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	517820027	ALTQJHOLJLPGOZ-OLILMLBXSA-N	422.937	5.375	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1	518240341	WUGIIQIKDNYSOE-HNNXBMFYSA-N	421.547	5.647	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(OCC(F)(F)C(F)F)nc1	519126853	SJDVNUJHGMDFMX-ZDUSSCGKSA-N	424.316	5.036	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCOc1ccccc1-c1ccccc1	520475628	XYJXTKRHKOOSSQ-UHFFFAOYSA-N	413.521	5.224	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCSC[C@H]3c3ccccc3)c2)cc1	522328993	LKWGRFHVPXLOSK-DEOSSOPVSA-N	414.530	5.068	30	20	HKED	
CS[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	522704673	KYSHLZZTJFTXAQ-IFMALSPDSA-N	409.555	5.127	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc(C)nc21	523379475	CKPUFZMVLRVLEG-JSGCOSHPSA-N	407.543	5.021	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cncc4ccccc34)cc2Cl)c1	524393209	UGLCZBOYFUYDEI-UHFFFAOYSA-N	413.864	5.591	30	20	HKED	
CCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	524438687	RCVWNIRHZMCAPY-UHFFFAOYSA-N	405.523	5.561	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F	525301803	ATBICXIWXXJMFM-LBPRGKRZSA-N	402.869	5.879	30	20	HKED	
N#CCC[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1	533038060	NLBHVJGRXHBQSV-NRFANRHFSA-N	405.429	5.661	30	20	HKED	
CC(=O)N(c1nc(CN(CCC#N)CCC(C)C)cs1)c1c(C)cc(C)cc1C	533758034	DVSGKLFSKFKVAW-UHFFFAOYSA-N	412.603	5.515	30	20	HKED	
CCN(C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)c1ccc(C#N)c(Cl)c1	534385366	ZOIDODTWTUDVDK-UHFFFAOYSA-N	422.916	5.371	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n2)c1	538252173	NKXHJYGSGPRDCC-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nn1-c1ccccc1	540131895	ALHZOHWPZNCXMI-UHFFFAOYSA-N	424.529	5.597	30	20	HKED	
C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2cccc(C#N)c2)cc1	541071526	BDXDJARNQGOACW-LJQANCHMSA-N	421.500	5.690	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(Br)c(Cl)c3Cl)o2)c1	541801399	QIIXWCRHSWXQFN-UHFFFAOYSA-N	424.085	5.290	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	550239667	VGSJSYWVZQIWFQ-AWEZNQCLSA-N	415.440	5.437	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	552956516	BZTOCGAMXJYDTL-FQEVSTJZSA-N	413.468	5.868	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1F	554949921	KDYAQRHMKBVOND-GFCCVEGCSA-N	412.408	5.114	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(OC2CCC(C)CC2)CC1	555244448	LWGAFYCIFQSHIX-UHFFFAOYSA-N	424.589	5.094	30	20	HKED	
CC(C)CN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@H](C)c1ccccc1Cl	556525281	FXLPYCLLOSJFLS-CQSZACIVSA-N	418.324	5.049	30	20	HKED	
CSc1ccc(-c2nsc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)n2)cc1	558459587	YGRWHXVYCATIDP-UHFFFAOYSA-N	423.567	5.241	30	20	HKED	
Cc1cc(C#N)cnc1-c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	568775608	OYFZCBTYXJSIJZ-UHFFFAOYSA-N	422.473	5.164	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)CC3CC3)cc2)ccn1	571989189	SKFUEXIRGPKSCA-UHFFFAOYSA-N	416.456	5.329	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1	576131437	PKGLTMMMWNVHSD-VQTJNVASSA-N	405.464	5.191	30	20	HKED	
C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@@H](OC1CCOCC1)c1ccccc1	582638674	CWKCLEALIFBCBQ-QVKFZJNVSA-N	404.432	5.314	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1	589739493	QAKTWCAWXNUBHS-UHFFFAOYSA-N	407.514	5.092	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1	590530001	LJOSJFLWWXZOKZ-HXUWFJFHSA-N	416.443	5.379	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H](C)C(=O)c2ccccc2)cc1	602126523	GKOHGINHIGFIMG-KRWDZBQOSA-N	414.461	5.207	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	603527207	FOSCSVDQEWKIEH-UHFFFAOYSA-N	407.901	5.236	30	20	HKED	
Cc1ccnn1-c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	604004041	WWTHXXORGLJGJU-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cc1	604709597	OILOEZRMOHSBEC-UHFFFAOYSA-N	408.498	5.031	30	20	HKED	
C=CCCCCCN(C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1	606920084	HFFGUUJYKQIGDY-UHFFFAOYSA-N	412.496	5.141	30	20	HKED	
CN(Cc1cccc(O)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609080870	WETMMVFLQRYDFL-UHFFFAOYSA-N	421.884	5.160	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc2ccccc2n1CC#N	609163467	MLEVEAVGKKJHTP-UHFFFAOYSA-N	423.476	5.370	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3nc2O)cc1Cl	609164414	NGJZFDNDZDFLIB-HXUWFJFHSA-N	413.864	5.502	30	20	HKED	
CCc1cccc(C)c1NC(=O)CNc1cc(C(F)(F)F)ccc1SCCC#N	609384836	FEKGSENPDATCLS-UHFFFAOYSA-N	421.488	5.633	30	20	HKED	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c12	609427095	CFEHPIXRPHHMFB-UHFFFAOYSA-N	423.476	5.070	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(OC(F)F)cccc2[nH]1	609430323	NQZZYZANERIMSW-LBPRGKRZSA-N	401.438	5.416	30	20	HKED	
C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	609576268	UIHYLRZMOBINRU-UKRRQHHQSA-N	400.466	5.245	30	20	HKED	
C=CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccccc2)cs1	609783932	UNCASJDZJQUYKX-UHFFFAOYSA-N	413.886	5.133	30	20	HKED	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	609822561	IJBZPHUFNBLSKE-REWPJTCUSA-N	422.594	5.422	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccccc1	610972859	DDLSUJHEVNSBEX-IBGZPJMESA-N	412.465	5.179	30	20	HKED	
COc1ccc(-c2nc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)sc2C)cc1	611092984	XRLWAPACPAZSDA-UHFFFAOYSA-N	418.305	5.558	30	20	HKED	
Cn1c(SCc2ccc(C#N)cc2Br)nnc1-c1ccc(Cl)cc1	611491461	HXDPXQYIPHISIQ-UHFFFAOYSA-N	419.735	5.062	30	20	HKED	
N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1	613290281	AZHFKWRLZJXNPS-HNNXBMFYSA-N	408.301	5.762	30	20	HKED	
Cc1cc(C)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1CO	615895238	YOSIZEQKJGDIKH-UHFFFAOYSA-N	406.869	5.365	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc(Cl)cc1	619863995	LFTQJLXUTOITQO-HXUWFJFHSA-N	417.925	5.399	30	20	HKED	
O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc(F)c(C(F)(F)F)c(F)c1	683198655	KTMZGNHYMVYGLY-UHFFFAOYSA-N	419.256	5.224	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1	727589049	FZCCXRYNEUWJSN-ATIYNZHBSA-N	409.533	6.144	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1csc(-c2ccccn2)n1	727653970	DFPYYYBIURUGSA-MDZDMXLPSA-N	423.950	6.187	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)c1nc(-c2cccs2)no1	728063060	VDAZUPDPGRVYSV-MRXNPFEDSA-N	416.506	5.730	30	20	HKED	
O=C(/C=C\c1cccc(/C=C\C(=O)c2ccc(O)c(F)c2)c1)c1ccc(O)c(F)c1	728439175	WOQBZVFJKVIGDX-XEQVNJCQSA-N	406.384	5.168	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)CCc2ncc(-c3ccccc3Br)o2)c1	728480081	BTDLNFFVIRUFDE-UHFFFAOYSA-N	423.310	5.071	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1cccc(-c2ccccc2C)c1	729635300	MQMVWBUJQHVRCW-UHFFFAOYSA-N	414.534	5.490	30	20	HKED	
CC(=NOCc1cccc(C(=O)N(C)C)c1)c1ccc(OCc2ccc(F)cc2)cc1	729675451	HNMLZZIFIMDMBB-UHFFFAOYSA-N	420.484	5.047	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)Cc2coc(-c3cccs3)n2)cc1	730055386	OLHZICSQQOSHNH-UHFFFAOYSA-N	400.459	5.228	30	20	HKED	
CC(C)(Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	733052541	LRAIOQNRPFGXHO-CQSZACIVSA-N	403.816	5.119	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1	737026147	IASGZGXEGOTEOD-UHFFFAOYSA-N	415.559	5.335	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	739160810	NBKUVJZYTGWDEU-TZMCWYRMSA-N	400.425	5.282	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cc([N+](=O)[O-])ccc3C)c2)cc1	739426341	SZRXTZGYOJYGBQ-NTUHNPAUSA-N	416.433	5.060	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CSC(C)C)c2C)c1	743206232	XHLFIXZJZJACAF-FQEVSTJZSA-N	411.571	5.639	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744029811	WNUMCRVOXLXZSW-KDOFPFPSSA-N	410.395	5.310	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CCc3cccc(F)c3)n2)cc1	744063214	ZCVVAPTXZLVBQI-YWZLYKJASA-N	408.498	5.403	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)c1ccc(S(C)(=O)=O)c(OC)c1	747061927	QYBYKDMHLRMQKF-SEYXRHQNSA-N	412.507	5.084	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCC2)n1	747194310	XYUKASPXNLDAMR-OAHLLOKOSA-N	403.345	5.327	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccc(OCC2CCCCC2)cc1	748305997	SCFNAOPEIRNSBU-UHFFFAOYSA-N	409.555	5.312	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)cc1OC	749367562	HGWJULRUVLADDU-UVTDQMKNSA-N	415.493	5.110	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	749380444	WFBAHRXASRWERS-PLNGDYQASA-N	416.321	5.273	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1cc2ccccc2s1	758244258	YQQLNPDZSZNFLM-WMLDXEAASA-N	411.552	5.151	30	20	HKED	
C#CCCCCNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	758562191	QHJNUTQPVMJUKV-UHFFFAOYSA-N	421.394	5.022	30	20	HKED	
Cc1nc([C@@H](C)ON=Cc2c(Cl)nc3ccccn23)oc1-c1ccc(Cl)cc1	763186313	JSBMVHAWFMETQG-CYBMUJFWSA-N	415.280	5.716	30	20	HKED	
COc1ccc(-c2nc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)cs2)cc1	767887853	LOYRPBXXHDGSAK-WOJGMQOQSA-N	421.547	5.327	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(-c2ccccc2)no1	768498669	BSAAWGBOXNBYTM-INIZCTEOSA-N	414.440	5.499	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc(OC)c(OC)c1)C1CCCCC1)c1ccncc1	770279280	HMQXXGZPBVYRQR-QFIPXVFZSA-N	423.557	5.261	30	20	HKED	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1	782382672	VQBAKUCZPVFHQD-IBGZPJMESA-N	415.512	5.052	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccnc2-c2csc(C)c2)c1	782894365	SDZAPCUKVTWISA-GOSISDBHSA-N	406.511	5.121	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3cc(C)sc3C)n2)cc1	783360802	HZYXPQIQKQTRIV-GOSISDBHSA-N	424.547	5.336	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3F)nc2)c1	786207286	ZPKBKBZENKXPDG-GOSISDBHSA-N	420.444	5.016	30	20	HKED	
Clc1ccccc1COc1cccc(Cl)c1C=NNCCc1ccccn1	789125037	QOBUZPXLGUTKNN-UHFFFAOYSA-N	400.309	5.134	30	20	HKED	
CC(C)CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)c1ccccc1Cl	789358484	MBBHHPZSMFKTCB-AWEZNQCLSA-N	406.382	6.281	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1cnc2ccccc2n1	792099795	GRMIEUQRWJZMNS-SFHVURJKSA-N	413.864	5.205	30	20	HKED	
Fc1ccc(C(C[C@H]2CCOC2)=NNc2nc(C(F)(F)F)nc3ccccc23)cc1	792940855	OIGMDMFLICBTOH-CYBMUJFWSA-N	418.394	5.031	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1)c1ccncc1	797460143	NRXOQZDCQSRQCA-VQTJNVASSA-N	414.347	5.316	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)COc2ccccc2OCc2ccccc2)s1	797566708	RFHSWUQNUYDQTJ-SFHVURJKSA-N	420.534	5.275	30	20	HKED	
CCc1cc(C)cc(CC)c1NC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1	797682959	DDAMTNZYHWEUCK-HXUWFJFHSA-N	409.530	5.131	30	20	HKED	
CN(C)c1cccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	805857739	FZBDAZZVTJQZNE-MRXNPFEDSA-N	417.456	5.190	30	20	HKED	
COCc1nc(Cl)cc(NN=C(C)c2sc(-c3ccc(Cl)cc3)nc2C)n1	814978661	QSMFMDAWITVMDG-UHFFFAOYSA-N	422.341	5.198	30	20	HKED	
COc1cccc2c1[C@H](C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CC2	815925916	VZHBXAHRWCMWCA-KGLIPLIRSA-N	410.445	5.003	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(NC(=O)NC(C)C)cc1	915047912	IEVWWGHQLQCOSY-UHFFFAOYSA-N	414.724	5.408	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915085589	NTSDQMXQNLZZRE-JOCHJYFZSA-N	411.436	5.697	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	915086067	HBBUFSAIVGBXAM-AREMUKBSSA-N	418.496	5.217	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C\c1ccc2ccccc2n1	915860034	DUYNSBIJSLAYKE-RAXLEYEMSA-N	406.445	5.254	30	20	HKED	
C(=NNCc1cccc2cccnc12)c1cn(Cc2ccccc2)nc1-c1cccs1	915958974	BZCHMIZQZGCBHL-UHFFFAOYSA-N	423.545	5.332	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cnc(Cl)c(Cl)c3)c2)cc1	916450044	YXWOZQJACLKLHF-UHFFFAOYSA-N	412.276	5.286	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2CCc2ccccc2)cc1	916680592	KXGLYHYZGOAHDG-UIOOFZCWSA-N	409.533	5.971	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1	916708202	NLOMRLKWVYSIFA-LADGPHEKSA-N	415.924	6.364	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1oc2ccc(Cl)cc2c1C	916904179	XXKBHJWYOOVBEQ-GOSISDBHSA-N	408.885	5.481	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(C(C)(C)C)cc1	916905968	FYXDBORVVACBQV-QFIPXVFZSA-N	404.554	5.389	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21	916940644	ZIJASAADLHJLBE-INIZCTEOSA-N	411.864	5.051	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976901	WMBIETHORFVYIC-IUODEOHRSA-N	417.317	5.761	30	20	HKED	
FC(F)(F)c1nc(NN=Cc2cc3ccccc3nc2Cl)c2ccccc2n1	917214528	FRZVZRKMZCKIIK-UHFFFAOYSA-N	401.779	5.296	30	20	HKED	
Cc1ccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	919775807	JZEAVFFGKGOIPS-KRWDZBQOSA-N	405.523	5.584	30	20	HKED	
CCCC(=O)Nc1cccc(N[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1C	920424658	GMTROXSESKDCHR-WCIBBKAISA-N	419.569	5.415	30	20	HKED	
CC(C)CCC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1	1788650084	WKIMXSQPEKAHHL-ACCUITESSA-N	424.566	5.057	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4scnc4c3)cc2)CCC1	1789341083	NDFIKKNQFNRIQK-INIZCTEOSA-N	419.550	5.256	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)C1	1823703019	KYVDZDNFMIMXLB-KIFXHHALSA-N	414.634	5.179	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830348544	CDFIGCZWPMJHOO-SILAICFJSA-N	412.618	5.121	30	20	HKED	
COc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1ccccc1Cl	26110966	JCRVBXZDXDKPBN-INIZCTEOSA-N	420.896	5.290	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)[C@H](C)c1ccc(C#N)cc1	45500145	LSICCFIFVWWIQX-OAHLLOKOSA-N	409.942	5.487	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc3ccccc3[nH]2)cc1	58632714	FTQUBXHWIGFVLK-UHFFFAOYSA-N	410.477	5.135	30	20	HKED	
Cc1cc(N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n2c(nc3ccccc32)c1C#N	71855660	MMBUJTJMIMEYNK-MRXNPFEDSA-N	409.493	5.189	30	20	HKED	
COc1ccc(-c2nn(-c3ccccc3)cc2CN(CCC#N)Cc2ccco2)cc1	96970615	MKZIPQBRQWSIFY-UHFFFAOYSA-N	412.493	5.057	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)cc2cccnc12	108272281	YUUFKTUUSBHXLA-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	195662701	STNIOVQOQPSLFR-QGZVFWFLSA-N	416.531	5.051	30	20	HKED	
N/C(=N/OCc1ncc(-c2ccc(Cl)cc2)o1)c1cccnc1Oc1ccccc1	303056002	SSRVAQXQJOBOQZ-UHFFFAOYSA-N	420.856	5.019	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	303184127	KUFNGZDTKOITSF-KRWDZBQOSA-N	400.478	5.800	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1OC	303208796	QOOVEJUTULIIFK-PKNBQFBNSA-N	421.415	5.161	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Br)cc2C(F)(F)F)sc2c1CCC2	326338634	RIQKKSXYSGBRCW-UHFFFAOYSA-N	415.234	5.142	30	20	HKED	
C=CCCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC	410360698	SIRGIKAUMKBSFZ-GOSISDBHSA-N	420.582	5.766	30	20	HKED	
COc1ccccc1[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccco1	426969390	URBYMLFVDDGAHL-DEOSSOPVSA-N	413.477	5.066	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1	429075296	DPAIYXIWBLPHGV-BJKOFHAPSA-N	411.505	5.521	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	430323329	RBVVJTJDWRQXNI-WAIKUNEKSA-N	416.550	5.598	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(-c3ccncc3)nc3ccccc23)s1	430612938	TVAGKJVSRUQBPG-SFHVURJKSA-N	412.518	5.541	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)NC(C)(C)C	430624724	PDQCMABVASMUKD-OAHLLOKOSA-N	412.559	5.159	30	20	HKED	
CN(Cc1cccc(N(C)C)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	431860877	WONUAGIRJYJZIA-UHFFFAOYSA-N	400.482	5.080	30	20	HKED	
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C	432773678	IQANEZLQTYZQHW-UHFFFAOYSA-N	417.534	5.315	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC2(CCCCC2)C1	437972471	BLTHHCMBAZLFES-UHFFFAOYSA-N	403.526	5.634	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl	438067785	ARPFWPCACSXWGQ-HZPDHXFCSA-N	413.974	6.349	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N1CCC(C#N)CC1	438620732	BUGLXRIRYXQBBR-UHFFFAOYSA-N	419.504	5.499	30	20	HKED	
Cc1onc(-c2ccccc2)c1-c1nnc(CN(CC(C)C)c2ccc(C#N)cc2)o1	438920665	USALZTUCVKUAMG-UHFFFAOYSA-N	413.481	5.234	30	20	HKED	
O=C(NCCCC(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	441006432	BSUSNUOZRQHZOR-LLVKDONJSA-N	410.280	5.341	30	20	HKED	
CCN(Cc1ncc(-c2cccc(Br)c2)o1)[C@H](C)c1ccc(C#N)cc1	441240206	XEESXTVPXDJAJT-OAHLLOKOSA-N	410.315	5.559	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1C	441279259	SUYDGYAGMXKVKC-LLVKDONJSA-N	418.143	5.429	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(=Cc3ccccc3F)CC2)c2ccccc21	444262495	BCJDPQKJPQPUBI-UHFFFAOYSA-N	401.485	5.404	30	20	HKED	
Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	444396542	JZKOQJHPPJMLJH-SJORKVTESA-N	419.554	5.458	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	445699963	PSHVYQRZPCZLFM-UHFFFAOYSA-N	419.340	6.010	30	20	HKED	
COc1ccc(/C=C\c2ccc(OCc3nnc(-c4cccc(C#N)c4)o3)cc2)cc1	461090244	SESKWPVIJKFYHA-WAYWQWQTSA-N	409.445	5.366	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H](C)c1cccc(C#N)c1	463568223	IKPBFMLPHWBOQI-MRXNPFEDSA-N	404.441	5.549	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(-n2cccn2)cc1	464995137	PZBURSWTCNOGJA-SFHVURJKSA-N	424.529	5.386	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1	466607276	DKQMYEWYRFESEY-UHFFFAOYSA-N	418.472	5.138	30	20	HKED	
CCOc1ccc(Cl)cc1[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469236807	MDYPUBYMBVXKAU-MRXNPFEDSA-N	411.933	5.495	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2)n[nH]1	474825590	MVWPGNLGWWZUFQ-UHFFFAOYSA-N	409.449	5.005	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1	475546507	LLMBTFRILPCKIL-OAQYLSRUSA-N	415.541	5.693	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	476122312	QLFLUWQGUGYOPL-UHFFFAOYSA-N	410.517	6.241	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1OC	479495209	JBKMLUSTVIOBKO-UHFFFAOYSA-N	404.491	5.287	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(F)F)CC2)cc1Cl	483056787	WQUDCHLDNAYBFK-SFHVURJKSA-N	403.860	5.504	30	20	HKED	
CSc1cccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1[N+](=O)[O-]	485492062	OVCOXUIERJMLQR-HNNXBMFYSA-N	417.490	5.346	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2ccsc2)CC1	486509159	OQQHHEURXTXHRY-UHFFFAOYSA-N	417.534	6.132	30	20	HKED	
N#CCCC[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccccc1	487299465	PBOZDHUZKKYJIF-KXTRFFEISA-N	423.601	5.183	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N(Cc1ccccc1)CC(F)(F)F	487381126	SQYSBRPYDGXLQQ-MRXNPFEDSA-N	421.488	5.084	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccccc1	487385409	DHGUPRLZPADQBV-SFHVURJKSA-N	422.941	5.446	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1ccccc1	488719141	YVVOOCPWYRIDST-HXUWFJFHSA-N	406.526	5.147	30	20	HKED	
C=CC[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccccc1	488838466	LLXHCKVDDNTNJD-LJQANCHMSA-N	414.908	5.016	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C(F)(F)F	489761713	BDIBIQVOCJUDLR-MAUKXSAKSA-N	407.823	5.662	30	20	HKED	
Cc1cccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)(C)C)c1	494046835	HAFOAWJETOEJHO-LAUBAEHRSA-N	423.582	5.089	30	20	HKED	
CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	497886630	XSZQKYDJXZEWAO-XMMPIXPASA-N	419.525	5.131	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1nccc2ccccc12	498980695	STYXAHLOCJLMJF-SFHVURJKSA-N	406.363	6.004	30	20	HKED	
N#C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(Cl)c1Cl	505341958	FBNDOSMABJJMLA-UKRRQHHQSA-N	401.215	5.410	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)n1	505978159	ZDJOIHJELDLDPB-QGZVFWFLSA-N	415.280	5.161	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)CCc1ccc(C#N)cc1	506521614	DDGOUGVMYMFGJG-UHFFFAOYSA-N	401.510	5.017	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2F)C(C)C)cc1	509247506	PPNCDONMBLAQPD-UHFFFAOYSA-N	409.505	5.082	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)Nc3cc(C#N)ccc3OC(C)C)cs2)cc1	509594512	WLYOLCBLAQLKRT-UHFFFAOYSA-N	421.522	5.049	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4ccccc4)CC3)c2)c1	511462794	OISRTYGVGRLVQV-UHFFFAOYSA-N	424.504	5.222	30	20	HKED	
C[C@H](C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(F)c(F)c1	511705310	VFZRIPZOYLUJFP-BJOHPYRUSA-N	409.301	5.090	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c1	513200185	HJEFNBFFFBYYBX-MRXNPFEDSA-N	403.507	5.512	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cnn1-c1cccc(Cl)c1	513660981	OZIRAKFXVQBEHH-QGZVFWFLSA-N	417.900	5.026	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1	513686954	IXZJSWCITQOTAO-AWEZNQCLSA-N	409.923	5.872	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccccc2OCc2ccc(Cl)cc2)nc2ccccc21	513692438	NMQXVRADBZOSME-LJQANCHMSA-N	415.880	5.296	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CSc3ccc(Cl)cc3)c2)c1	515449220	LMPHACHZZYNKTQ-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	515539271	POVMJNYGSVJAGY-OAHLLOKOSA-N	422.460	5.277	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)oc2c1ccc1ccccc12	515542173	HRHLAKKTJNNYTJ-KRWDZBQOSA-N	415.399	6.129	30	20	HKED	
C[C@@H](SCc1cc(C#N)ccc1F)c1nc(O)c2c(-c3ccco3)csc2n1	517287081	KUIGGMANCSGQAM-LLVKDONJSA-N	411.483	5.662	30	20	HKED	
C[C@H](NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccc(C#N)cc1	517345417	IRSXOLGZEBWHBC-NYHFZMIOSA-N	408.473	5.547	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)cc1Cl	517517855	KYOGUHCBYRZBQN-LLVKDONJSA-N	409.736	5.749	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccccc1Br	517520700	SRLOVHYYBAYFRY-AWEZNQCLSA-N	419.344	5.251	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1	517531371	CFTQVMBJFIPHNF-HNAYVOBHSA-N	415.946	5.340	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C2CC2)o1	518902177	UNSMHROVMCSOKE-KSFYIVLOSA-N	413.477	5.267	30	20	HKED	
COCCN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H](C)c1ccccc1	519913078	FJHWJIDPMULIMM-IBGZPJMESA-N	415.493	5.592	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1	520155151	SKGFCHMIWLCZBW-OAHLLOKOSA-N	416.955	5.225	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1	520855206	DYUNNXQOMFXEEM-AWEZNQCLSA-N	423.460	5.501	30	20	HKED	
CCN(CCc1cccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	521208742	BZRTVMBAFPRRSR-UHFFFAOYSA-N	419.550	5.490	30	20	HKED	
CC(C)Cc1ccc([C@@H](C)NC(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1	521726751	NXELUJFMZZNROS-RBUKOAKNSA-N	409.599	5.426	30	20	HKED	
C=CCOc1ccc(CN[C@@H](c2ccc(C)cc2)c2ccc(OC)cc2)cc1OC	521848646	QRAQOHRYJYXPPH-SANMLTNESA-N	403.522	5.456	30	20	HKED	
COc1cc(COc2ccc(C(C)=O)cc2F)ccc1OCc1cccc(C#N)c1	522624723	NUGMNBKNPIBCJK-UHFFFAOYSA-N	405.425	5.067	30	20	HKED	
CCc1cccc(CC)c1-n1ccnc1SCc1nnc(-c2cccc(C#N)c2)o1	525115702	ZUKJZVYLTKAAGX-UHFFFAOYSA-N	415.522	5.211	30	20	HKED	
CSc1ccc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	530315609	BMTQXZDWJBQQEV-HNNXBMFYSA-N	402.610	5.675	30	20	HKED	
Cn1cc(Nc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2)cn1	533182318	SDSPTVQFIBZOEP-UHFFFAOYSA-N	409.449	5.080	30	20	HKED	
C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2ccccc2CC)n1	533775874	PAKHNKXZDMIITN-UHFFFAOYSA-N	419.594	5.621	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534136453	MLUIFSMTOXOWFH-UHFFFAOYSA-N	401.853	5.148	30	20	HKED	
CC(C)COC1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1	534874754	AMUGWCLUADBJAH-UHFFFAOYSA-N	412.917	5.281	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCSCc1ccccc1C#N	535188510	YZMZXBSJHKMIHX-MRXNPFEDSA-N	416.616	5.082	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nc2ccccc2s1	535385969	YUQCIVUESHZJSC-KRWDZBQOSA-N	406.470	5.397	30	20	HKED	
C=CCCOCCCCC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1	537200407	QJDUOFPQRLCOPA-HXUWFJFHSA-N	401.938	5.157	30	20	HKED	
C[C@@H](N[C@H](C)c1nc(-c2cccs2)no1)c1ccc(-c2cccc(C#N)c2)cc1	541077131	LWUZAGAIBUDORH-HZPDHXFCSA-N	400.507	5.749	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c(C)c2c1	541491612	RBRLLTHSJBVCAA-MRXNPFEDSA-N	403.482	5.057	30	20	HKED	
COc1ccc(CC(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F	543108965	ZPCHOOWLUXSYRI-KRWDZBQOSA-N	423.328	5.158	30	20	HKED	
CCN(Cc1ccccc1Br)C(=O)N[C@@H](CCC#N)c1ccccc1	543997062	PCZAEYNBCFNJGC-IBGZPJMESA-N	400.320	5.026	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3O)cc2)nc1	546153334	LMHLELMTMWBCDP-UHFFFAOYSA-N	400.221	5.010	30	20	HKED	
N#CCSc1ccccc1NC(=O)CS[C@@H](c1ccccc1)c1ccc(F)cc1	548950270	NKARHFNMVYOPOB-QHCPKHFHSA-N	422.550	5.903	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1	552651614	ZTTAXJWAZXPBHM-HXUWFJFHSA-N	415.468	5.820	30	20	HKED	
CCc1ccc([C@H]2CCCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)C2)cc1	553252706	XLHQOCRBUUKVJT-QHCPKHFHSA-N	412.537	5.046	30	20	HKED	
N#CCCN(C(=O)CCSc1ccccc1Br)c1ccc(F)cc1	553820549	BFEYMCFRKNRBBT-UHFFFAOYSA-N	407.308	5.017	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3cc(O)nc4ccccc34)no2)c2ccccc21	558393325	LIGLLHDPVVDUNB-KHPPLWFESA-N	407.433	5.029	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1	562899253	PURIQZOYFDQVNX-HSZRJFAPSA-N	412.493	5.196	30	20	HKED	
COc1cc(CNCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)ccc1C#N	578101865	DVRTVTCUMHAPJE-UHFFFAOYSA-N	422.912	5.098	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2cccc(F)c2F)CC1	583539897	MLMNLHREXUDVAZ-HNNXBMFYSA-N	415.509	5.628	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3C3CC3)s2)c(C(F)(F)F)c1	588347899	VOVDZQYKCDVGIM-KRWDZBQOSA-N	420.460	5.031	30	20	HKED	
CCc1ccc([C@H](C#N)N(C)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1	589829197	UBYFRKVBFBLRMJ-FQEVSTJZSA-N	407.901	5.213	30	20	HKED	
CC(C)Sc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	591862038	KINCNAFXFOACAE-AWEZNQCLSA-N	420.481	6.306	30	20	HKED	
N#C[C@H](C(=O)c1coc(-c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1	606754010	PECHMMONOKRAEC-CYBMUJFWSA-N	413.380	5.460	30	20	HKED	
C=CCCCCCN(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1	606814869	VAEHUOBKAOIACV-UHFFFAOYSA-N	419.319	5.113	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccco2)CC(F)(F)F)cc1	609296899	FJKUBPODUDTGKQ-UHFFFAOYSA-N	418.346	5.287	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	609298225	GNGUUGLNHRHLCK-OALUTQOASA-N	400.503	5.136	30	20	HKED	
CC(C)c1ccc(OC2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)cc1	609500832	FCRRQFXWFADGRO-UHFFFAOYSA-N	420.553	5.301	30	20	HKED	
N#CCn1c(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)cc2ccccc21	609816237	UHRUPJMDMVJLTF-UHFFFAOYSA-N	402.841	5.258	30	20	HKED	
COc1ccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2Cl)cc1	610056114	ZGFJYFGPFYEVDA-DEOSSOPVSA-N	404.897	5.059	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nccs1	610094859	NRIAGZYURFKXEH-QFIPXVFZSA-N	422.510	5.263	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(C#N)c1	610321660	QPVDXPSIYXDEDB-GOSISDBHSA-N	410.477	5.086	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)[C@H](C#N)c3nc4ccccc4o3)oc2c1	620304369	WBFZDIYDPRHIPU-SFHVURJKSA-N	408.413	5.740	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C	620593436	TXMSRIBBXNFHKZ-UHFFFAOYSA-N	408.367	5.328	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1	642720182	CXUONRIJPWYJBW-HTAPYJJXSA-N	422.504	5.180	30	20	HKED	
O=C(c1cccc(-c2c(F)cccc2F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	677431433	NZADWLUXFZYPCM-STQMWFEESA-N	423.303	5.445	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1F	678022378	LDXDTGZTUSPPPE-UKKRHICBSA-N	418.328	5.235	30	20	HKED	
O=C(Nc1cc(Cl)c(Cl)cc1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	685018341	BQGSCDSMDRDXTD-PHDIDXHHSA-N	413.120	5.337	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	727784582	IHNOOEVOABIMLI-UHFFFAOYSA-N	414.465	5.847	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(CC2CC2)C2CCCCC2)c1=S	727825185	LWLIIGXWCVGXJN-UHFFFAOYSA-N	412.603	5.278	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	728006891	VFDCLFUYRUTREQ-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	728766925	PJLRIJBARMWVEP-KBXCAEBGSA-N	410.926	5.842	30	20	HKED	
CCc1cc(C#N)c(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)s1	729652969	CRCSIYFNQRWVBL-SFHVURJKSA-N	413.543	5.167	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)c3ccccc3SCC#N)cc2)cc1	731016311	IHUWZIYFQTZCIJ-UHFFFAOYSA-N	418.518	5.536	30	20	HKED	
C#CCOc1cccc(NC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1	731110272	NAXGYBBVCFZUKK-OAHLLOKOSA-N	409.486	5.152	30	20	HKED	
CC(C)(C)c1nnc(S)n1N=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl	731148978	CKNOTYPMZBHQJQ-UHFFFAOYSA-N	416.982	5.018	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1	732427887	LYNHFEVRJZDGRO-MWTRTKDXSA-N	419.456	5.042	30	20	HKED	
C=CC[C@H](NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1)c1ccncc1	734455779	LJEUZKITEGIPNB-FQEVSTJZSA-N	419.594	6.008	30	20	HKED	
CC(C)CCOc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)cc1	741852665	QJXJVGVACAPVTA-LFYBBSHMSA-N	422.493	5.046	30	20	HKED	
COC(=O)c1cc2cc(CSCc3cc(Cl)ccc3OCC#N)ccc2o1	742970933	LSLQSULYKJFXFW-UHFFFAOYSA-N	401.871	5.209	30	20	HKED	
COc1cc(/C=C\C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)ccc1O	743055566	FXZCQOHEQPHYNT-CLTKARDFSA-N	403.265	5.098	30	20	HKED	
COc1ccc(O)c(C=Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1	743537861	BIBHGIUXKQXBFV-UHFFFAOYSA-N	420.896	5.284	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744029813	WNUMCRVOXLXZSW-RDTXWAMCSA-N	410.395	5.310	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)Nc1cccc(Br)c1	745696111	WJQXDAXBKNSPFN-UHFFFAOYSA-N	402.361	5.176	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1	746125545	JJQPKEICLVXMLZ-FYYLOGMGSA-N	423.438	5.174	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c2)c1	747197556	HXAABCHJVBVJKI-OAQYLSRUSA-N	404.535	5.573	30	20	HKED	
Cc1ccsc1CCCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	748838804	FMAFYBOTUIWTCJ-ZDUSSCGKSA-N	402.491	5.657	30	20	HKED	
COc1cc(C2(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)CCC2)ccc1C	750397717	RAGCVKGJSVWUCN-INIZCTEOSA-N	410.926	5.565	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1C#N	752198927	CZINZWZREUDVBC-NSHDSACASA-N	406.269	5.176	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(OC)cc1	752477296	NLPGXTBBTZRYQE-CXAGYDPISA-N	419.308	5.233	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)OCc1ccccc1C(C)(C)C#N	756463555	CEWFZKSVOOTNIW-UHFFFAOYSA-N	408.498	5.121	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc2cc(F)ccc2s1	759329987	VGJNMKOZDSKTHA-WLMCBFPDSA-N	407.857	5.527	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2cccc(C)c2)c1=S	764906255	YZSGGDHMNUIQFD-NRFANRHFSA-N	405.571	5.155	30	20	HKED	
N#Cc1ccnc(NC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)c1	766957174	NGODVCXSOTUAPG-UHFFFAOYSA-N	407.458	5.030	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1	768873722	VRGJJDHSURHBLN-HKUYNNGSSA-N	403.404	5.066	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)O[C@H](c3ccccc3)c3nccs3)cc2)nc1	770186228	NTOZTWWNCRGUTC-OAQYLSRUSA-N	413.458	5.148	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1NC(=O)OC(C)(C)C	772655394	XRAQAVVWAQYJHO-INIZCTEOSA-N	404.470	5.017	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	774334917	KMTSHFCRQHVRKV-BUTYHMDQSA-N	413.386	5.092	30	20	HKED	
COc1ccc(-c2ccncc2)cc1C=NNc1ccc(OCC(F)(F)F)cc1	774384244	AAWKAMXQPSTGIS-UHFFFAOYSA-N	401.388	5.144	30	20	HKED	
CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCO1	778256557	NCPTYQMJGRWDIR-VXNXHJTFSA-N	405.542	5.447	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3ccc4cnccc4c3)SC2=S)cc1Cl	779204079	OECZIYFZVPTQKJ-LSCVHKIXSA-N	407.907	5.166	30	20	HKED	
COc1cc(CNc2ccccc2O[C@H](C)C#N)ccc1OCc1ccc(F)cc1	779993994	PDWRFPANXRPTFS-QGZVFWFLSA-N	406.457	5.316	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2)c1	796743872	HCMSZYSWFOZJDX-HNNXBMFYSA-N	415.301	5.683	30	20	HKED	
N#C[C@@H](C(=O)CO[C@@H]1CCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	797552140	UAPZJGPJANMXSJ-HRAATJIYSA-N	424.472	5.359	30	20	HKED	
O=C(/C=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1cnn(C2CCCC2)c1	799895611	JGTOZMHBVMFUJU-HJWRWDBZSA-N	411.303	5.047	30	20	HKED	
CC(C)c1nnc(S)n1N=Cc1ccc(-c2ccccc2Br)cc1	800806512	AZGQBFUYJZDACF-UHFFFAOYSA-N	401.333	5.002	30	20	HKED	
Cc1csc(N(CC(F)(F)F)C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)n1	801666490	RXLXIUGMDUTSIO-LLVKDONJSA-N	400.319	5.076	30	20	HKED	
C[C@@H](Nc1nc(Cl)c(C#N)s1)c1cccc(NC(=O)Cc2ccccc2F)c1	804352473	UEMXBGBIBZWVKU-GFCCVEGCSA-N	414.893	5.162	30	20	HKED	
C#C[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)c1ccc(Cl)cc1	812353956	DNFSNANFCBDFIR-OAQYLSRUSA-N	420.871	5.144	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(Br)c1	813060652	GDXOTVAIAFIKBA-SUMWQHHRSA-N	411.324	5.553	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1NC(=O)OC(C)(C)C	813215334	WZKYRVBVBPDDNI-HNNXBMFYSA-N	419.403	5.246	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813216763	YKQBAOUKJLCGRG-JOYOIKCWSA-N	403.187	5.051	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1ccccc1)c1cccc(Cl)c1	813221572	SQRGKBVOFNTFIZ-XMMPIXPASA-N	421.928	5.332	30	20	HKED	
CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	814270514	MUDYTWFPHDQVKG-QGOAFFKASA-N	413.955	5.096	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2cc(-c3ccc(Cl)cc3)no2)cc1OC	913031306	CHHXTWLOSDHUBA-UHFFFAOYSA-N	421.280	5.606	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	916888240	UIRVYTAKPBTJDL-GYSYKLTISA-N	420.403	5.017	30	20	HKED	
O=C(Nc1ccccc1)c1cccc(CON=Cc2ccc(Br)cc2)c1	917395373	JVOJDYLEPHBYBH-UHFFFAOYSA-N	409.283	5.252	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OC(C)C)cc2)cs1	917559529	LCUYMBKIIDUTLJ-JYRVWZFOSA-N	424.497	5.650	30	20	HKED	
O=C(/C(=C/c1cn2cc(Cl)ccc2n1)c1nc2ccccc2s1)c1ccccc1	920756061	WMSZOKIQBJGNHN-PDGQHHTCSA-N	415.905	6.021	30	20	HKED	
Cc1ccc(C)c(OCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	920804551	VHNCLDLCHYKQDY-OAHLLOKOSA-N	412.461	5.351	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccccn3)CCC2)cc1	1785840983	VFYHFRLFPLILRS-UHFFFAOYSA-N	419.569	5.141	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4n3C)cc2)CCC1	1788887324	YRAAKOOCBGUOQD-GOSISDBHSA-N	415.537	5.138	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c(F)c3)CCC2)cc1	1789456246	NMCWFIGNDIAWST-HXUWFJFHSA-N	422.500	5.047	30	20	HKED	
C=CCn1c(SCc2cc(-c3cccs3)on2)nc2sc(C)c(C)c2c1=O	7643379	LFAMNEQDPNWZCP-UHFFFAOYSA-N	415.565	5.270	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1	10144184	NXMZOGAYJJWMMX-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)ccc2C)[n+]2ccccc2)c(Cl)c1	10178793	SACDTRKGXHXMDV-UHFFFAOYSA-O	423.989	5.912	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(O)c2)cc1C	11160056	AEFVUZHHJWRHMT-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)OCc2cc3ccccc3nc2Cl)c1C#N	12571910	TUWWUHMVLQQSPX-UHFFFAOYSA-N	409.898	5.111	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c12	12832459	NBXYYBMKVDYCPI-UHFFFAOYSA-N	406.804	5.115	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1	17219006	QDVADKIYBHBLBH-UHFFFAOYSA-N	411.552	5.362	30	20	HKED	
N#Cc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1	20863385	CWJBHTPPGQLQIJ-HXUWFJFHSA-N	424.378	5.114	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(C)(C)C#N)cc1	25439855	JQLCQEZSFMPAIA-UHFFFAOYSA-N	409.486	5.223	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1	56745382	KLYCZFLKHNCGFT-QFIPXVFZSA-N	417.465	5.157	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2)cs1	57650034	KRGQMTWABXHAEG-UHFFFAOYSA-N	409.536	5.095	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2csc(C)n2)cc1	63390073	BLQFJRUPJRPKIT-UHFFFAOYSA-N	408.483	5.247	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COC2CCCCC2)c1	63394704	MHUGDEXNOMWLPY-UHFFFAOYSA-N	403.526	5.628	30	20	HKED	
COCCOc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	65104663	OXVWDKYFOJCRNU-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC	65680272	UIPDMEMDZRAAAP-UHFFFAOYSA-N	400.434	5.176	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cs1	78720075	SSCJXVBPIYFDPS-HNNXBMFYSA-N	423.563	5.677	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	107648207	IWFACUYXSVENAR-IBGZPJMESA-N	422.937	5.967	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCOC2(CCCC2)C1	426089803	HXQMZEAQYDDWJI-IBGZPJMESA-N	405.498	5.272	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1ccco1	426822692	FDUCPRYTYYYMQI-XMMPIXPASA-N	417.509	5.117	30	20	HKED	
CC(C)(c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1)C(F)(F)F	429415147	HIISLFSVGONFMG-UHFFFAOYSA-N	401.476	5.475	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(-c2c(F)cccc2F)cs1	429692984	YAVYCAQANIDDSD-ZDUSSCGKSA-N	409.392	5.266	30	20	HKED	
C[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)CCN1Cc1ccccc1	430661634	PYRXPYKNDNQLDB-NFBKMPQASA-N	409.533	5.008	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	432909263	DSYHXFWJDBYVKD-XXBNENTESA-N	418.541	5.258	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	433226579	NYLPWORIOLJZRZ-APPZFPTMSA-N	406.273	5.111	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433612811	PDOTUNFLJGJGRS-QFYYESIMSA-N	422.344	5.692	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3ccc(F)cc3C2)cc1	434213568	JPNFQAMIKVUHJB-UHFFFAOYSA-N	415.468	5.061	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)NCC2CCC(C#N)CC2)c1	440996926	HZXPSNRYWQVVEG-BSBIAVROSA-N	417.553	5.265	30	20	HKED	
Cc1cncc(N(Cc2ccccc2Br)C(=O)c2ccc(CC#N)cc2)c1	441416757	PWBIDUJROSGOAX-UHFFFAOYSA-N	420.310	5.066	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)c(C(F)(F)F)c1	446171879	TYEBJBVPLOHPEL-JTQLQIEISA-N	414.399	5.998	30	20	HKED	
Cc1ccc(-c2csc(N(C(=O)CC(C)(C)C#N)c3cc(C)ccc3C)n2)cc1	447198706	HGRJBACRHOBTRZ-UHFFFAOYSA-N	403.551	6.340	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	463209710	DFMOPOBVXQEXHF-MRXNPFEDSA-N	402.947	5.398	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(-c2cccnc2)c1	463670872	BPIGXJYBRMDLOX-UHFFFAOYSA-N	421.525	5.701	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@](C)(C#N)C(C)(C)C	464165388	UXKALKMKJWSQFG-FQEVSTJZSA-N	403.935	5.020	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1OCCC(C)C	464409738	VDHQVNOMTORUIW-INIZCTEOSA-N	406.404	5.024	30	20	HKED	
CO[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cccc(Cl)c1	464598329	UBXSAMYKCDZVLV-HSZRJFAPSA-N	420.896	5.316	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C	468897145	JCRNFLPUFPTKPV-MRXNPFEDSA-N	421.570	5.772	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCSc4ccc(Cl)cc43)ccc21	469308204	ZZOYTARQEYMUGZ-LJQANCHMSA-N	411.958	5.572	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c(C(F)(F)F)o1	470218523	FRTLHYBMRKFHGU-UHFFFAOYSA-N	417.252	5.522	30	20	HKED	
C=CCn1c(SCC(=O)c2oc(C)nc2C)nnc1-c1ccc(C(C)(C)C)cc1	470450574	BZRXUVLRYGOYDL-UHFFFAOYSA-N	410.543	5.008	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(c2nc3ccccc3s2)CC1	471756163	DSRWTLMMLQWZGB-UHFFFAOYSA-N	420.582	5.053	30	20	HKED	
C=CCC[C@@H](NC(=O)NC1CC(N2CCCCC2)C1)c1ccc(C(F)(F)F)cc1	474546326	HFUSHCHSDODLES-SOAGJPPSSA-N	409.496	5.029	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCc3ccccc32)cc1	477243483	MIAUMXSMQOMSLA-QHCPKHFHSA-N	413.496	5.139	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccco3)n2)nnc1-c1cccc(OC)c1	481375147	VMDJRDKTNIJVTQ-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1Cl	482578456	KQYOVZPCZRYFQI-OAHLLOKOSA-N	417.900	5.026	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	483218624	QDEWBKAVCXQFBZ-MGPUTAFESA-N	401.432	5.098	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3sccc3Br)cs2)c1	483252139	KDDZYWMSCPXZRH-UHFFFAOYSA-N	424.732	5.411	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)c(F)c1	483297410	OOANBTSYBRJNHF-QUCCMNQESA-N	413.493	5.738	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1nc2c(cc1C#N)CCCC2	484173044	PQSVGNXCLNAVKZ-UHFFFAOYSA-N	416.550	5.175	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(COc2ccc(F)cc2)c1	486571194	BAQODAYUYHAOJQ-UHFFFAOYSA-N	424.472	5.100	30	20	HKED	
N#Cc1cc(NC(=O)CCCCC(=O)c2ccc(F)cc2)ccc1OCC(F)(F)F	489394446	BVXIAGMSSATSPY-UHFFFAOYSA-N	422.378	5.020	30	20	HKED	
COc1ccc([C@H](NC(=O)c2cccc(CC#N)c2)c2ccc(C(F)(F)F)cc2)cc1	492044288	PGEQQSBKHCKVSP-JOCHJYFZSA-N	424.422	5.299	30	20	HKED	
N#C[C@@H](NC(=O)c1ccnc(SCC(F)(F)F)c1)c1cccc(Cl)c1Cl	496575235	SOKZUFHLTFCELX-GFCCVEGCSA-N	420.243	5.037	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1	498415241	PBMYKZRXCNFHFK-UHFFFAOYSA-N	422.916	5.142	30	20	HKED	
N#Cc1ccc(CNC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)cc1	499125686	HWBQHTNKDHTJEH-UHFFFAOYSA-N	403.551	5.367	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1	499419114	LFFAXCLXEKBHTK-BEFAXECRSA-N	415.331	5.029	30	20	HKED	
CC(C)NC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	503391088	UXPOYWYRFLHNFP-SFHVURJKSA-N	423.925	5.092	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cs2)cc1	504012752	IROKGHILWDFORT-UHFFFAOYSA-N	415.518	5.010	30	20	HKED	
CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccccc1Sc1ccccc1C#N	506315639	DQDGMDMTEZUESW-QFIPXVFZSA-N	414.530	5.095	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1)c1ccccc1	507470971	OHCHEYLWDYLKSP-QUCCMNQESA-N	407.539	5.087	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1	508275629	QGPVINWNGZUBAV-RTWAWAEBSA-N	401.514	5.026	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OCCCC)CC1	508881393	PXBANHFPKACDHZ-HXUWFJFHSA-N	412.578	5.006	30	20	HKED	
COc1cc2c(cc1F)CC[C@H]2NCc1cccc(OCc2ccccc2C#N)c1	509426107	PNPHJEWXGXDQEY-XMMPIXPASA-N	402.469	5.062	30	20	HKED	
O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(F)c(F)cc1Cl	511718558	ILHDGTRLSXJJKX-ZDUSSCGKSA-N	415.692	5.253	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	513984875	IHIVKKFYHWGHEL-UHFFFAOYSA-N	414.347	5.693	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)cc1	517652278	KNZSOKJQNPJMBH-UHFFFAOYSA-N	410.498	6.526	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519977277	YCQUVCUCJBCEKO-UHFFFAOYSA-N	416.525	5.391	30	20	HKED	
Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1Oc1ccncc1	522314125	NLAQVVCTONDZDG-UHFFFAOYSA-N	411.486	6.035	30	20	HKED	
C=CCCCN(C)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	523025571	LAWPPEWLLVPHFZ-UHFFFAOYSA-N	405.420	5.388	30	20	HKED	
CC[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(C)noc1C	523448082	FRECXXBJGGLDJP-JOCHJYFZSA-N	403.482	5.069	30	20	HKED	
COc1cc(CN[C@@H](CCC#N)c2ccccc2)ccc1OCc1ccc(F)cc1	533037937	JPRSHCHZKGPNSV-QHCPKHFHSA-N	404.485	5.548	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3cccc(-c4ccccn4)c3)c2)c1	533496930	OXZAKMLXAKCASO-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccccc1C(F)(F)F	535810344	FGNAFQAGOQPNEU-UHFFFAOYSA-N	423.263	5.488	30	20	HKED	
CN(Cc1cccc(NC2CCC(C#N)(c3ccccc3)CC2)c1)Cc1cscn1	537730799	MYYAJUGFAFFJHG-UHFFFAOYSA-N	416.594	5.591	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)s1	540604777	VTWKFLWBAYFFJU-LJQANCHMSA-N	401.304	5.401	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(-c2cccs2)no1	541077126	LWUZAGAIBUDORH-CVEARBPZSA-N	400.507	5.749	30	20	HKED	
Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	542328512	VCNXHJQDSZMQBN-LJQANCHMSA-N	406.917	5.508	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1c(F)cccc1F	542934011	FBNZAZRRJAOZND-HOTGVXAUSA-N	405.448	5.181	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(Cl)c1C	543091723	QDCUSHMWRBUSGS-UHFFFAOYSA-N	403.869	5.333	30	20	HKED	
CC(C)C[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1	543897049	MLHJCVTZYWLVLU-DQMJNTIXSA-N	405.542	5.179	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	544626066	WLHRQSYOKPTRRO-UHFFFAOYSA-N	407.558	5.954	30	20	HKED	
N#CC1(c2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)CCCC1	547250109	ZZUZJFSHBBQHCQ-UHFFFAOYSA-N	401.253	5.566	30	20	HKED	
Cc1sc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)nc1-c1cccc(Cl)c1	549860348	MBULVVXTMSUGKM-UHFFFAOYSA-N	422.819	5.310	30	20	HKED	
Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)oc2ccc(Cl)cc12	552345564	FPMQIQVFJIZNGA-UHFFFAOYSA-N	412.848	5.089	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2nc(C)c(SCC#N)s2)cc1Cl	552894786	MWMVYBDEJCJIGL-UHFFFAOYSA-N	416.753	5.044	30	20	HKED	
Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)oc2c(Cl)cccc12	557111655	MYYANGRQTZQXSW-UHFFFAOYSA-N	412.848	5.089	30	20	HKED	
N#CC(CCN[C@H](c1nccs1)C(F)(F)F)(c1ccccc1)c1ccccc1	559320164	HZWMMIRATHFGDQ-GOSISDBHSA-N	401.457	5.236	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)c3cn(CCCC#N)c4ccccc34)s2)cs1	562432132	CRDVRIXTPNOYOU-UHFFFAOYSA-N	420.563	5.369	30	20	HKED	
N#Cc1ccc(Oc2cccc(-c3nc(-c4cc(O)nc5ccccc45)no3)c2)cc1	566530398	QSPKTYQEQORQLM-UHFFFAOYSA-N	406.401	5.321	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1)C1CC1	566639897	QWXVIJFCNWSILY-UHFFFAOYSA-N	410.477	5.069	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(C(F)(F)F)n2)cc1	576525579	DEARQGJVVVDSPX-UHFFFAOYSA-N	419.403	5.015	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)n2)cc1	589196614	OVRJQYCLHVVKPC-DLBZAZTESA-N	413.424	5.443	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4C)n3)n2)cc1	589830528	MBORDAONNKCFGZ-GOSISDBHSA-N	415.543	6.041	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2sc3ccccc3c2s1	603520918	BSACELNDKZUUMH-UHFFFAOYSA-N	406.532	5.276	30	20	HKED	
Cc1c(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)oc2ccc(F)cc12	604433116	OUHFPIJANQGYJF-UHFFFAOYSA-N	420.469	5.121	30	20	HKED	
CC[C@@H](C)n1c(SC[C@H](C#N)CCC#N)nc2sc3c(c2c1=O)CCCCC3	608848393	QGXZBOPREJAVIV-CABCVRRESA-N	414.600	5.234	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ccc(OC(F)(F)F)cc1	608936111	QIGCSPZASMVJKS-UHFFFAOYSA-N	414.383	5.216	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1	609397275	KHBMZULYVPMDOU-IBGZPJMESA-N	410.424	5.400	30	20	HKED	
CSCc1c(C(=O)N[C@@H](C#N)c2ccccc2Br)oc2ccccc12	609593410	WJALMZDLCFOUKT-INIZCTEOSA-N	415.312	5.053	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1Cl	609856824	QLVGRNIHCYFQRO-LJQANCHMSA-N	404.872	5.805	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1F	610322738	NPGXZOTWZNJSJC-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1	610356258	MYXIZDJKKJFWQS-IQGLISFBSA-N	411.505	5.033	30	20	HKED	
C[C@H](NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)c1cccc(C#N)c1	610364293	PLGNDPCVGQXXAE-AWEZNQCLSA-N	402.498	5.051	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1SCC(F)(F)F	610628099	HBSADZYZLVEFRZ-AEFFLSMTSA-N	419.472	5.645	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1nccc2ccccc12	616724236	ZULBKSGKKIDCGI-HXUWFJFHSA-N	417.490	5.668	30	20	HKED	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCC(C(F)F)CC1	622696360	IBUSIPSZPVAFOI-UHFFFAOYSA-N	419.312	5.043	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	642281980	YQUJBWQNNCDXHY-GOSISDBHSA-N	421.909	5.302	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Nc1cccc(OCC#N)c1	726073105	BESIKCXZRKBBHA-UHFFFAOYSA-N	418.497	5.121	30	20	HKED	
Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)[nH]c2C)cc1	726571294	RANGJFYNHATWEJ-UHFFFAOYSA-O	423.949	5.076	30	20	HKED	
COc1ccc(CCC(C)=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1	726596722	DKIRFJGCYHRTRJ-UHFFFAOYSA-N	420.296	5.577	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	727234209	ZEJKLWDQXUKAPO-HIFRSBDPSA-N	416.424	5.473	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(CN3CCCCC3=O)cc2)c1	728248128	GCSJCGRMQNWZHT-UHFFFAOYSA-N	422.528	5.027	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc3nc(C(F)F)[nH]c3c2)c1	730181482	ROJASNQUJVMGLK-UHFFFAOYSA-N	407.445	5.390	30	20	HKED	
C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	732016494	BADSOELAAQKXQT-RRQZXNHTSA-N	412.489	5.341	30	20	HKED	
O=S(=O)(Cc1cccc(N=Cc2c(O)ccc3ccccc23)c1)C1CCCCC1	732622553	RWUWYBNJGDKUIG-UHFFFAOYSA-N	407.535	5.544	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2ncnc3sc4c(c23)CC[C@@H](C)C4)ccc1OC	733301822	DSXOQORYOYFLMA-GDBMZVCRSA-N	422.554	5.118	30	20	HKED	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	733680650	ATOVYLYDBHGPKO-CABZTGNLSA-N	409.269	5.386	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1	733771320	RXGJRNOUPCBYCT-BBRMVZONSA-N	423.365	5.471	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	733843063	JTTOOHIZVAJMAS-ILBGXUMGSA-N	424.504	5.345	30	20	HKED	
Cc1ccc(-c2ncc(/C=C\C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)s2)cc1	741843299	FDYKNLLSFIJYJK-QXMHVHEDSA-N	410.502	5.380	30	20	HKED	
N#Cc1ccc(F)c(CNCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1	742381844	NFCDUBKRDCXGNF-UHFFFAOYSA-N	422.463	5.586	30	20	HKED	
COc1cc(/C=C2\C(=O)c3ccsc3S[C@H]2C)ccc1OCC(F)(F)F	742437887	YNWOARZZUWJOFE-BNDQCTAISA-N	400.443	5.458	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	743093268	QFRXJQYCZVYUKL-IZZNHLLZSA-N	411.549	6.136	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(C2CCCC2)nc1C	744029940	XTWSWRAHYOWGPU-GOSISDBHSA-N	409.555	5.195	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)s1	744038418	UIPUVPUTTMQIQP-XEHSLEBBSA-N	400.454	5.075	30	20	HKED	
CC(C)(C)c1ccc(CCCCC(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cc1	744933174	QPRCJEGUFCKHOO-UHFFFAOYSA-N	417.509	5.362	30	20	HKED	
C=CCOc1c(Br)cc(/C=C\C(=O)c2cnn(C(C)C)c2)cc1OCC	746687211	SHTGGGTZDVWZGW-FPLPWBNLSA-N	419.319	5.086	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1	747230187	VTXAJWLBRQPJGM-HXUWFJFHSA-N	417.419	5.731	30	20	HKED	
COc1cc(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)ccc1SC	747614331	DQSPMWKUMZXRHF-FNORWQNLSA-N	401.919	5.292	30	20	HKED	
CC(=O)N(c1nc(C=NNc2ccc(Cl)c(F)c2)cs1)c1ccc(F)cc1F	747636778	SCABHMIQSBWOQQ-UHFFFAOYSA-N	424.835	5.344	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=S)Nc2ccccc2C#N)C(C)C)s1	748158746	SZJHPYKGARTCRX-UHFFFAOYSA-N	405.592	6.203	30	20	HKED	
O=C1/C(=C\c2ccc(Cl)nc2)CN(c2ccccc2)C/C1=C/c1ccc(Cl)nc1	748999365	WNJCVGJXHOWUGV-BJPQZVBLSA-N	422.315	5.340	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccsc2)ccc1OCC(=O)N(C(C)C)C(C)C	749101373	DWLVJAGCDPZTIH-CLFYSBASSA-N	415.555	5.067	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cc3ccccc3nc2Br)C2CC2)cc1	760176795	FJDKRMKRVMDGNU-UHFFFAOYSA-N	421.298	5.065	30	20	HKED	
O=C(/C=C\c1cccc(/C=C\C(=O)c2c[nH]c3ncccc23)c1)c1c[nH]c2ncccc12	761813922	XUARVVHHQZXERS-WGEIWTTOSA-N	418.456	5.231	30	20	HKED	
CN(CCC#N)c1ccc(CNc2cc(Br)ccc2N2CCCC2)cc1	763522217	DEIIROAKWQGWSI-UHFFFAOYSA-N	413.363	5.011	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H]2c2ccc(Cl)cc2)c1=S	765038420	UAPKBSXOUZKGBF-LJQANCHMSA-N	411.962	5.110	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3c(C)ccc(C)c3C2=O)cs1	769746924	SJPIHWSVAYWDAE-UYRXBGFRSA-N	416.546	5.965	30	20	HKED	
O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771095412	ASOCSSYGWVFHIE-GEXIGZQTSA-N	420.893	5.032	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cs1	775486500	CGKAZGUIVXGNRM-RBBKRZOGSA-N	402.523	5.476	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1	776904355	SZKFEIYSBWNIFP-VXKWHMMOSA-N	423.438	5.810	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(SCC(F)F)cc1	777117964	PTFWFVYGYIDWQI-OAHLLOKOSA-N	417.525	5.050	30	20	HKED	
COc1ccc(CNc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC(F)F	779595003	SDDLHPVFCYFGPO-UHFFFAOYSA-N	410.420	5.359	30	20	HKED	
Cc1nc(F)ccc1CNc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	784300812	SPJKSNXUKSAKHG-UHFFFAOYSA-N	406.408	5.079	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)O[C@@H](C)C2	797568321	PZYZWZXSOIMPQH-DASIODGOSA-N	410.539	5.052	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1c(C(F)(F)F)ccnc1Cl	800132081	NJBHDCKWKXSHNT-UHFFFAOYSA-N	416.680	5.086	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(Br)c1	813214710	RNHCGIGAKAXAAB-CQSZACIVSA-N	411.221	5.017	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1ccccc1	814324894	ZQDWGHOLQPLOLM-MSOLQXFVSA-N	418.324	5.551	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)c1	915101763	ICUUXOUBHHOHAO-IBGZPJMESA-N	415.543	5.661	30	20	HKED	
O=S(=O)(Nc1cccc(N=Cc2c(O)ccc3ccccc23)c1)c1ccccc1	915980578	VCDGSZJPWYWSGA-UHFFFAOYSA-N	402.475	5.097	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=S)Nc3cccc(Cl)c3)c2)cc1	916025644	IEUPYQAPJCFBKD-UHFFFAOYSA-N	407.926	5.794	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccccc2)cc1Cl	916154837	WWJJUBRVYCNMSX-KTKRTIGZSA-N	421.884	5.030	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(F)cc2)n1	916903252	MAHYVWDZDAEUAC-SFHVURJKSA-N	421.497	5.035	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccccc2F)o1	916927422	JILVVPANZBUSSB-CYBMUJFWSA-N	417.223	5.354	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928183	VZDPSKCEBBWMCM-HNNXBMFYSA-N	407.322	5.132	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	916947834	QNRFJWVYCOKREE-SCLBCKFNSA-N	421.478	5.284	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1	916951276	XZNFHWXRDXQOOE-QFBILLFUSA-N	408.546	5.236	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2cccc(OC3CCCC3)c2)cc1	917518221	WLMHJMKTLFKXQK-NTEUORMPSA-N	402.494	5.217	30	20	HKED	
Cc1ccc(-c2nc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)cs2)cc1	918713595	OYDLOHYFWQCWMV-WOJGMQOQSA-N	405.548	5.627	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	920108270	RSKPBNCFNAHNOS-PXAZEXFGSA-N	408.807	5.200	30	20	HKED	
Cc1ccc(OCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C	920806830	QWNVNPBEQYCIKI-MRXNPFEDSA-N	412.461	5.351	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O	921138646	WWFPMXNAOSZTHL-AWEZNQCLSA-N	415.877	5.027	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)n1	921250334	IRYJANQLHQJTTM-SFHVURJKSA-N	416.531	5.030	30	20	HKED	
CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)CC1	1790290334	TZTUYCLIDNVETH-NRFANRHFSA-N	413.521	5.052	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC(F)F	7699351	XUMOAWHHXISVQQ-QPJJXVBHSA-N	414.351	5.193	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1	16408877	QAJWZBPDCLMHSX-NTUHNPAUSA-N	416.433	5.060	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1	24499334	NGYAPVYBKZNURE-UHFFFAOYSA-N	417.505	5.111	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1F	218656072	JPPABCNSVKIBCE-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
COc1cc(CNCc2ccc(C#N)cc2F)ccc1OCc1ccc(Cl)cc1	237306444	CQGGCKXXTBFAHI-UHFFFAOYSA-N	410.876	5.228	30	20	HKED	
COc1cccc([C@@H](CNc2ccc(C#N)cc2F)c2c[nH]c3ccccc23)c1OC	303388958	NBFBWNTXZAZCFB-HXUWFJFHSA-N	415.468	5.440	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cn1	303506044	BIJCQQLBWFYWAQ-QGZVFWFLSA-N	417.534	5.473	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1	303643140	IOCGXFMMMQGNOA-SFHVURJKSA-N	412.917	5.425	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(F)cc1C(F)(F)F	410150245	ZLSWFCBIYHSKTD-UHFFFAOYSA-N	406.832	5.457	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)s3)nc12	429558287	DTYPIJALJVPQIC-GFCCVEGCSA-N	415.503	5.095	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1	431701691	HFDOBCCXYYQZAP-OAQYLSRUSA-N	414.509	6.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(Br)cn1	432586075	XRWNUNXGJFCIBR-CQSZACIVSA-N	402.336	5.579	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	437605006	RQDCOKORHXXZMJ-RTWAWAEBSA-N	417.509	5.422	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2C)c1	437773213	KOPGZBDUPCPPTB-UHFFFAOYSA-N	401.514	5.112	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3CCC4(CCOCC4)CC3)cc2)cc1	438693852	OMZIRVGCJYWMNX-UHFFFAOYSA-N	405.498	5.211	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)SCc2ccc(C#N)cc2OC(F)F)c1	439528395	LSFAKIZNEPQBOH-GFCCVEGCSA-N	408.495	5.142	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	446493007	CZYKWEJSLSNLBA-VXGBXAGGSA-N	422.316	5.168	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1sccc1C#N	460651123	SAGWESRJVVIUIF-UHFFFAOYSA-N	418.497	5.917	30	20	HKED	
N#C[C@H](C(=O)c1ccc2cc[nH]c2n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	462009139	QBJCQAILRJOZDN-CYBMUJFWSA-N	413.289	5.483	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(=Cc2ccccc2F)CC1	464884525	IFBYZFXGSGYLNT-SFHVURJKSA-N	423.557	5.338	30	20	HKED	
C=CCN(C(=O)c1cc(Oc2ccccc2)ccn1)c1nc(-c2ccccc2)cs1	467099359	FIHWBFQOLWAGHE-UHFFFAOYSA-N	413.502	5.830	30	20	HKED	
O=C(c1cc2ccccc2n1CC(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	468518426	WLCGIFVWHANBMT-UHFFFAOYSA-N	420.275	5.161	30	20	HKED	
CC(C)c1ccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2cccs2)cc1	471623083	WNVFUCYDCJDNLZ-HSZRJFAPSA-N	414.534	5.672	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4cccs4)C3)c2)cc1	473795018	OYBAEXQQIWUNGD-FQEVSTJZSA-N	405.479	5.017	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	474423928	AEXJCHNDGBNJCC-AWEZNQCLSA-N	401.944	5.842	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSCc1cc(-c2cccs2)on1	476081851	WBVNUCQUELMIRV-UHFFFAOYSA-N	412.580	6.127	30	20	HKED	
Cc1nc([C@H](C)N2CCN([C@H](C#N)c3ccccc3)CC2)oc1-c1ccc(Cl)cc1	477762925	HLIUEEUZIGPNFM-PGRDOPGGSA-N	420.944	5.247	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc3ccccc23)n1)c1ccc(C(F)(F)F)cn1	480944291	ZDSNDZMKNJKBKW-QGZVFWFLSA-N	423.419	5.867	30	20	HKED	
O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1c(F)c(F)cc(F)c1F	481452003	CCIOUIWAXOOJGT-UHFFFAOYSA-N	401.665	5.090	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2	484020394	ZUJBRFQNLIALQX-UHFFFAOYSA-N	413.502	5.237	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1	485469008	URAMZNGSSCVFGX-UHFFFAOYSA-N	414.530	5.420	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3nc(-c4ccc(F)c(F)c4)no3)c2)c1	486429039	DPGAVLSHNPGUJU-UHFFFAOYSA-N	418.403	5.078	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1	493965161	MRARPUUXNWNELN-GOTSBHOMSA-N	416.908	5.727	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1	494618319	RJRDQIGAWBSHAH-KRWDZBQOSA-N	402.560	5.121	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@@H](c2ccc(Cl)cc2)c2ccccn2)cc1	497904322	PDCAUHKSSDYLOP-QHCPKHFHSA-N	406.913	5.552	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)c12	499833108	LCGIWOWZQBGIKJ-LJQANCHMSA-N	423.948	5.266	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1	500740332	CAGDZQPOTWLKDI-JOCHJYFZSA-N	404.853	5.255	30	20	HKED	
COc1ccc(CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F	501443753	NSBSJSBNXIEZBY-UHFFFAOYSA-N	418.468	5.051	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1	502587045	SIEOBANRTDHEHC-UHFFFAOYSA-N	420.513	5.029	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccc(OC)cc1	505011252	SFRIVSVPDCJJBK-UHFFFAOYSA-N	415.537	5.486	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Br)cc1Cl)c1cccc(C(F)(F)F)c1	505961191	VEZLMDGSTJLUQN-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1	506255178	RLPNYFQKSLWKJQ-GOSISDBHSA-N	416.525	5.016	30	20	HKED	
COc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[nH]c2ccccc12	506664444	WKAGNZUNGFFZAB-UHFFFAOYSA-N	411.461	5.074	30	20	HKED	
Cn1c(-c2ccc(CSc3ccc(Cl)cc3)cc2)nnc1N1CCC(C#N)CC1	508083179	ATXDRWRZFJWEGI-UHFFFAOYSA-N	423.973	5.168	30	20	HKED	
CN(C(=O)c1oc2ccccc2c1CSc1cccs1)c1ccccc1C#N	508111632	UMOONPIUOTYWLK-UHFFFAOYSA-N	404.516	5.935	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1	509630019	AERWBTGPIGJFPT-PMACEKPBSA-N	401.432	5.055	30	20	HKED	
COc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	510023451	MPWXGOLKEUUYIP-JOCHJYFZSA-N	419.912	5.368	30	20	HKED	
C[C@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1c(F)cncc1F	513039647	CBTTVBBWQMYBQF-BJOHPYRUSA-N	414.296	5.083	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)nc2ccccc21	513649013	UNRDOKBWRXOISF-HXUWFJFHSA-N	418.456	5.385	30	20	HKED	
N#CCCN(Cc1ccccn1)Cc1nc(-c2cc(Cl)ccc2Cl)cs1	513733779	WNZFUXHRWKCRFD-UHFFFAOYSA-N	403.338	5.428	30	20	HKED	
CC(C)Oc1cccc(CN(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	515716281	ISIBTABFGWLGSX-UHFFFAOYSA-N	416.481	5.197	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	518400566	AVIYLCLTANEAQC-UHFFFAOYSA-N	417.534	5.110	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2)nc1	518906593	JGESXFXOAFROEG-UHFFFAOYSA-N	403.441	5.569	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1	520938317	TYUVJIZEGBUMBU-KBPBESRZSA-N	405.470	5.565	30	20	HKED	
COCc1ccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	522575421	ZAVFTCIACAGZER-UHFFFAOYSA-N	406.869	5.080	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ncc(-c2ccccc2)o1	523545706	OWIAIGLZLCQRQT-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
C=CC[C@H](C)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	523987446	AXYUBQSREQIOFA-AWEZNQCLSA-N	405.420	5.352	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1	524657597	AHTPEPPPAHYUHK-UHFFFAOYSA-N	415.493	5.200	30	20	HKED	
COc1cc(C#N)ccc1OCCSc1nnc(-c2ccccc2)c2ccccc12	524822368	HXVORXWDYKZJBQ-UHFFFAOYSA-N	413.502	5.348	30	20	HKED	
Cc1ccccc1[C@@H](CO)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	530837867	DUTWUCCJCDHXLO-FYYLOGMGSA-N	419.912	5.159	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)s1	533294742	DDASLWOAWHQCBG-GDBMZVCRSA-N	416.616	5.040	30	20	HKED	
C[C@@H]1SCCN(Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1c1ccccc1	538719589	ULLZZMFSASRVAF-YADARESESA-N	402.567	5.142	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	539720631	CUWKUWMZJYSUNF-UHFFFAOYSA-N	411.383	5.432	30	20	HKED	
Cc1nc(SCCCC2(C#N)CCOCC2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	540804616	WQVGXEDXTSYAEL-IVAOSVALSA-N	401.620	5.690	30	20	HKED	
COc1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	541069723	IHJNNWKBRBYYSN-HNNXBMFYSA-N	420.896	5.387	30	20	HKED	
Cc1ccccc1Cc1nc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1	543873437	WIZRUYXCHNCXMF-LJQANCHMSA-N	408.505	5.358	30	20	HKED	
CN(Cc1ccccc1Cl)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	553044297	GLQOGHLUSQMRFF-UHFFFAOYSA-N	416.352	5.130	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1	555183312	HPNOURQGEKHHON-XMMPIXPASA-N	413.569	5.193	30	20	HKED	
C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	558510885	HTJZUPGVQZQKOV-XMMPIXPASA-N	416.456	5.080	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1	565797755	XIVGYGCLXIMFIW-UHFFFAOYSA-N	413.477	5.205	30	20	HKED	
COc1cc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)ccc1OC(F)F	569407880	SIMGYBWBHXHKNE-UHFFFAOYSA-N	424.407	5.272	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(OCc2ccccc2)cc1	569775540	LQLLVBMPNFUPNH-GIWBLDEGSA-N	418.443	5.028	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1cccs1	589018988	ZIHQSQAABZNEBH-HXUWFJFHSA-N	416.593	5.552	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cs1	589831217	YCLPQANYWAWEQI-CQSZACIVSA-N	409.923	5.872	30	20	HKED	
C=C(C)CN1CCC(NC(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)CC1	592071259	QGFKZVQYLPLHHQ-XMMPIXPASA-N	408.611	5.294	30	20	HKED	
N#Cc1c(NC(=O)c2oc3ccccc3c2COc2ccccc2)sc2c1CCC2	602754921	QGBZADYSCTUHFI-UHFFFAOYSA-N	414.486	5.686	30	20	HKED	
CCCOc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	603611413	MGNRLTQNZBCJOL-UHFFFAOYSA-N	402.519	5.892	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2ccccc2n1	603835714	LHKLONSXYYMKBD-HXUWFJFHSA-N	422.444	5.245	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(OCc3cscn3)c2)sc2c1CCCCCC2	603996516	UVYBWBTVGIRLHP-UHFFFAOYSA-N	423.563	5.567	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2s1	604387537	OMVOCQUPASJCCO-UHFFFAOYSA-N	412.584	5.126	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)ccc1OC(C)C	604387710	XGCMVZWGCJYZIP-UHFFFAOYSA-N	421.884	5.747	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](c3ccccc3)C(F)(F)F)s2)cc1	604455496	KYIIOPWHCLSQSW-QGZVFWFLSA-N	416.428	5.031	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1	606772088	PSZJPUQOBYGVGN-CQSZACIVSA-N	420.431	5.051	30	20	HKED	
Cc1cc(-c2cccc(F)c2)nnc1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608080415	XSIITQRAEXRARE-STQMWFEESA-N	407.333	5.158	30	20	HKED	
COc1cccc2cc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)oc12	609172731	AUVFALVTDFEVKW-OAQYLSRUSA-N	412.445	5.015	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(Cc2ccc(F)cc2)n1	609428536	SCGAJZNLMOMAOQ-CQSZACIVSA-N	411.527	5.520	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(nc2O)CCCC3)cc1Cl	609452748	PLEKHNCHMULEAI-HXUWFJFHSA-N	417.896	5.227	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1	609517966	JYXHSRRVQSZPIS-ZWKOTPCHSA-N	403.309	5.442	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)sc1C	609928286	PNAMIOCKHYXDIV-UHFFFAOYSA-N	406.511	5.481	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2c1	610090129	RGCZKNIMTLRMSH-GOSISDBHSA-N	413.477	5.679	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1	610172456	DXTSXQFKCKZVRN-UHFFFAOYSA-N	418.497	5.236	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1C(F)(F)F	610388501	FZUSOYMLIXWFKU-UHFFFAOYSA-N	402.397	5.715	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)cn2)cc1C	611096135	RSHLFSMGHPLJDS-UHFFFAOYSA-N	412.276	5.922	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)c2C)c1	611128275	KYHKQJRFNRFUFT-GOSISDBHSA-N	415.493	5.337	30	20	HKED	
Cc1ccncc1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	611301650	IETZADNINDXSJI-HNNXBMFYSA-N	406.873	5.590	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	611557360	MDWDQWIQAXMCDO-GOEBONIOSA-N	403.404	5.545	30	20	HKED	
C[C@@]1(C#N)CCCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1	612405597	AXYJASNYLNGQRA-NRFANRHFSA-N	402.325	5.371	30	20	HKED	
COc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613347035	VNQPJNNMVZXWLJ-CQSZACIVSA-N	403.290	5.616	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc2cc(Cl)ccc2s1	613407349	RDZXTWWETDFFDN-OAHLLOKOSA-N	421.865	5.285	30	20	HKED	
CCN(C(=O)Cc1ccc(Br)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1	615727256	DQYZKXNUHYBDBF-ZDUSSCGKSA-N	405.723	5.126	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	620304526	JLHXUCUZHJRARF-CYBMUJFWSA-N	414.481	5.147	30	20	HKED	
COc1cccc2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)oc12	620304577	PEEKRUZVWXQOHG-LBPRGKRZSA-N	410.401	5.333	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622478085	UPSCKBJPVNAJBD-ABAIWWIYSA-N	423.328	5.422	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F	642282679	UULHPMHTLQLNQR-LJQANCHMSA-N	417.415	5.500	30	20	HKED	
C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12	673237655	RMANKPDTCNPYTR-NZVBXONLSA-N	422.344	5.422	30	20	HKED	
CCSc1cccc(F)c1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	685699634	KUIBNODLPLWLMG-AOOOYVTPSA-N	418.378	5.532	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4cc(C)ccc34)n2)cc1	726325614	RXROOOCPQOCWIS-LJQANCHMSA-N	401.491	5.027	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(Cl)nc1	727084487	MWJDSKALTRRRTE-UHFFFAOYSA-N	414.731	5.022	30	20	HKED	
C#CC[C@H](OC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccccn1	727776339	ZYBJRLPTMALNSO-SFHVURJKSA-N	424.909	5.279	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3ccc(O[C@@H](C)C#N)cc3)s2)cc1	728697410	FQGQOSKKKBHXMC-OEWWAVFSSA-N	404.491	5.314	30	20	HKED	
N#C[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccc(OCc2ccccc2)cc1	729370803	WXAIDDJNQFQGEP-YMOKUIOGSA-N	419.484	5.208	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2C)no1	729375453	GHHCFNOINMEDRD-UHFFFAOYSA-N	412.449	5.307	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccccc1O[C@H](C)CC	729890001	WBVSTWUZIUMIRS-AQJAHKMQSA-N	418.537	5.349	30	20	HKED	
C#CCOc1ccc(NC(=O)N2CCC(c3c[nH]c4c(CC)cccc34)CC2)cc1	731112620	BGUDZMWWVNGSED-UHFFFAOYSA-N	401.510	5.154	30	20	HKED	
Cc1ccc(N2CCCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1	731400806	USVFDYBFYHKUGH-LJQANCHMSA-N	408.571	5.134	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1	732418987	XLDCUTQUVNWULJ-XUZZJYLKSA-N	415.924	6.017	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	736955478	LAHNDKSFGYWRSI-HOYKHHGWSA-N	417.940	6.090	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1cccc(-c2ccncc2)c1	741472796	KGCMIKHYNBDLSH-WAYWQWQTSA-N	412.470	5.497	30	20	HKED	
O=C(/C=C/c1c(OC(F)F)ccc2ccccc12)c1c(Cl)nc2sccn12	741847618	IXSZHRIXAAKKFY-VOTSOKGWSA-N	404.825	5.700	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1C(F)(F)F	741924060	BMWKVKHNCOHSEL-PLFFATQSSA-N	404.457	6.142	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1ccc(OCc2cn3cccc(C)c3n2)cc1	744999420	RGIMTKZCSRAACY-UHFFFAOYSA-N	409.493	5.016	30	20	HKED	
Cc1cc2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)oc2cc1C	745584811	WLOFRVXAJRSADR-CQSZACIVSA-N	422.506	5.097	30	20	HKED	
C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	749046511	XCIKALCPTGXZDD-NYVOZVTQSA-N	421.541	5.050	30	20	HKED	
C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ncc(-c2ccc(Cl)cc2)o1	751706002	HJDOOTIYKSCAOP-AWEZNQCLSA-N	405.841	5.391	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCc2nc(-c3ccc(F)cc3)sc21	753142962	BYFWSOBUVRMJSZ-PTNGSMBKSA-N	419.506	5.680	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(-c3ccccc3)cnc2C)cc1C#N	760805638	FCMIABXJEZGIRA-UHFFFAOYSA-N	415.453	5.141	30	20	HKED	
C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	765986173	CUENDBNOGURIAC-HJPURHCSSA-N	419.456	5.123	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	766326308	SENCOQVGTCNALM-OAHLLOKOSA-N	412.461	5.251	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(Oc3cccc(F)c3)cc2)ccc1OC	767692692	XVJFXZFQACBDLZ-OAQYLSRUSA-N	420.484	5.597	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)CCc1ncc(-c2ccccc2Cl)o1	768000711	POICITBVIPPNHF-UHFFFAOYSA-N	408.885	5.472	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3C(F)(F)C2)cc1	771465176	XLSPKHNVAKOKFZ-OAQYLSRUSA-N	403.432	5.482	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(CC)C[C@@H](CC)c2ccccc2)c1=S	774704524	UPELKCRXFUJHEY-LJQANCHMSA-N	407.587	5.135	30	20	HKED	
N#CC1(c2ccc(COC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)cc2)CC1	777145042	QVVMLRQWLRASOE-UHFFFAOYSA-N	422.937	5.228	30	20	HKED	
N#Cc1ccc([C@@H](O)C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1	780932386	AZFXJZFAWHVQKY-AREMUKBSSA-N	404.469	5.564	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2cc(Br)cs2)c(-c2ccccc2)n1	788353237	FRNDPPSCFNCUBX-FPLPWBNLSA-N	412.312	5.184	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)c(Cl)c1	788360709	ZYJQSAVIPILWLN-LUAWRHEFSA-N	410.864	5.355	30	20	HKED	
C=CC[C@@H]1N(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CCCC1(C)C	790965126	FEQDVYVANJRJTG-FQEVSTJZSA-N	400.563	5.560	30	20	HKED	
CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)[C@H](C#N)c1nc2ccccc2o1	791785058	YXSQCVFZRXDTTI-HNNXBMFYSA-N	403.265	5.416	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(OC(C)C)c(Cl)c2)cn1	792907502	VSCZKKGBVVCZBR-NTMALXAHSA-N	408.885	5.489	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)OC(=O)c3sc4ccc(C#N)cc4c3C)o2)cc1	796611881	XJAIQXRFOCJBCF-AWEZNQCLSA-N	403.463	5.358	30	20	HKED	
COc1cccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1F	796811171	LXQUPGUPTFGVMK-CYBMUJFWSA-N	422.403	5.272	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	804458839	HTJLEESXCATTAQ-QHAWAJNXSA-N	400.547	5.097	30	20	HKED	
Cc1ccc([C@@H](O)[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	806230007	BNVISSWTBXYGGR-KOSHJBKYSA-N	415.493	5.211	30	20	HKED	
CSc1cc(Br)ccc1/C=C1/C[C@@H](C(=O)O)c2ccccc2C1=O	806561971	FISKTPGPRCKHBF-IYCSXQJISA-N	403.297	5.009	30	20	HKED	
CC(/C=C\C(=O)c1c(F)cccc1N1CCOCC1)=C\c1ccccc1OC(F)F	811691160	JYYMEJNSTTXDJR-UEPWTKMESA-N	417.427	5.106	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(-n2cccn2)cc1	878902512	WVZCPCGGWOWNKL-KAMYIIQDSA-N	417.472	5.016	30	20	HKED	
CCOc1ccc(OC(C)(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915179778	IRQZSVJSYQWPFQ-DEOSSOPVSA-N	414.505	5.537	30	20	HKED	
N#Cc1ccccc1NC(=S)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	915999152	SFELWMLKKRMVKV-UHFFFAOYSA-N	412.971	5.398	30	20	HKED	
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1)c1ccc(F)cc1F	916127571	KGNVQWNWBNBSTR-YDWXAUTNSA-N	410.366	6.035	30	20	HKED	
N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1ccc2ccccc2n1	916848699	NMRFRFHUZXGCKC-LJQANCHMSA-N	421.525	6.104	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916883349	JMJDANVIKYYOCA-QGZVFWFLSA-N	402.466	5.260	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2nc3ccccc3s2)cc1	916947633	OXUIPBDXCIDVBB-PIJMTYBESA-N	403.507	5.171	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1	918747438	BWGNZQAYZAFGNH-SFHVURJKSA-N	419.472	5.284	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(C)c(Cl)c3)n2)cc1	920139581	VKUBPDXSDCXBIW-GOSISDBHSA-N	410.926	5.590	30	20	HKED	
CCN(C(=O)Nc1cc2oc3ccccc3c2cc1OC)[C@@H](C)c1ccc(C#N)cc1	920938856	QJXNYPDHKHXQOP-INIZCTEOSA-N	413.477	6.081	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)CSc2nc(-c3cccs3)nc3ccccc23)n1	921249112	PSAPPEHWBOAXCV-CQSZACIVSA-N	422.560	5.092	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3OC)cc2)CCC1	1790230437	JMARJINWDCQCIK-NRFANRHFSA-N	418.537	5.211	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1	1792377743	MIIHQYDPJXFWJB-NRFANRHFSA-N	424.438	5.078	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1	1823749175	DKNIHJFYFSAOGR-UXHICEINSA-N	424.576	5.034	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826268648	JSXSXNCWGYHBQC-RPWUZVMVSA-N	414.634	5.345	30	20	HKED	
C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)s1	11392986	BGQLRNSIFXOBJB-AWEZNQCLSA-N	412.540	5.048	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)n1	21514958	YYKYECMBEACNEU-CYBMUJFWSA-N	415.440	5.553	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C(C)C)cc2)c1	22728692	YENADIAOYYDQFU-UHFFFAOYSA-O	409.600	5.827	30	20	HKED	
C=CCn1c(SCC(=O)c2c(C)cc(C)cc2C)nnc1-c1ccccc1OC	23553896	GXXDWWQVAKEBQB-UHFFFAOYSA-N	407.539	5.040	30	20	HKED	
Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	32290013	OKTNIZWGZAEFMP-UHFFFAOYSA-N	411.436	5.385	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)cc1	41552094	UQQZCDADDHTVEE-HNNXBMFYSA-N	417.412	5.113	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1	56758018	FTMISOLENFGCRX-JOCHJYFZSA-N	407.489	5.009	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCCCC3)c1	58694274	LQXYHKCVVSZNRZ-UHFFFAOYSA-N	410.539	5.279	30	20	HKED	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)c2ccccc2C1=O	72235932	IDRCMFPGGBLQNU-MOHJPFBDSA-N	421.500	5.073	30	20	HKED	
C=CCn1c(SCc2ccc(Br)s2)nnc1-c1ccccc1F	195713919	BWPNDWFPXKMKGZ-UHFFFAOYSA-N	410.337	5.387	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3nc4ccccc4s3)o2)c1	236901022	GDZFIKVACFQFDA-QGZVFWFLSA-N	403.507	5.527	30	20	HKED	
N#CCCN(CC1CC1)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	303238391	ZZSQIVPILZDYGB-UHFFFAOYSA-N	413.477	5.432	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)C(F)F)c2)cc1	432677719	RGWCZIXDIXXWPT-QFIPXVFZSA-N	421.447	5.460	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)c1cc(C(F)(F)F)on1	433132131	LVVWNGVDMCKZML-LLVKDONJSA-N	412.437	5.002	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)cc2Cl)cc1	434147843	KFOOKCFEWFPMJS-AWEZNQCLSA-N	423.822	5.810	30	20	HKED	
N#C[C@H](C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	434617230	SHVLRXBSYDLYAX-RBUKOAKNSA-N	424.909	5.121	30	20	HKED	
O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436459576	RFICRMTZVLRNTJ-QDPIBXHXSA-N	405.741	5.567	30	20	HKED	
Cc1cccc(Oc2cc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)ccn2)c1C	440231588	ZXASWMDDOGLBGU-QFIPXVFZSA-N	414.509	5.335	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)o1	440601224	UVMJETJZCFLFLR-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc2cc(Cl)ccc2s1	442667805	AQMXOZJLTMHWNY-GFCCVEGCSA-N	414.273	5.748	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	442808979	JHZSBEVPJUUGAZ-AWEZNQCLSA-N	421.428	5.542	30	20	HKED	
CCc1noc(CC)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	445825562	IQUYTASPPFUMKI-LJQANCHMSA-N	407.901	5.289	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)N1CC[C@@H](CC(F)(F)F)C1	446278211	ANAZEFNSAAAJMO-VIFPVBQESA-N	420.300	5.156	30	20	HKED	
COc1cccc([C@@H](C)CCCC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1	447509890	GUPIEAKLKMRCRY-KRWDZBQOSA-N	416.525	5.282	30	20	HKED	
COc1cc(OC)cc(N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	468154120	SFEQXXLSZUPAFC-UHFFFAOYSA-N	404.491	5.003	30	20	HKED	
CCc1c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cnn1-c1ccccc1	468185330	DCPNQMRKPVRCBD-UHFFFAOYSA-N	422.488	5.138	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccc1	469088207	RCNZIIVSYSLIJU-KRWDZBQOSA-N	417.538	5.651	30	20	HKED	
Cn1c(C(C)(C)NCc2cccc(OCc3cccc(C#N)c3)c2)nc2ccccc21	472076967	ULVPURLYIXUKJD-UHFFFAOYSA-N	410.521	5.049	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1	473670947	PENQRAMFOCHDKM-UHFFFAOYSA-N	413.880	5.340	30	20	HKED	
Cc1cc(Br)c(F)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	473856055	UOFWRHOQEQKPAU-KXBFYZLASA-N	416.294	5.200	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1	475581641	KCBFPQXHPIKHGZ-UHFFFAOYSA-N	410.533	5.279	30	20	HKED	
C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cc2cccc(F)c2o1	475802625	BTIMPPCZNUJGKA-CQSZACIVSA-N	404.397	5.107	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-]	476123209	OEYILBVJGHFWHS-UHFFFAOYSA-N	420.412	5.309	30	20	HKED	
Cn1cc(Nc2cccc(NC(=O)c3ccccc3Oc3ccccc3C#N)c2)cn1	477361793	SGUPTQDVHCGRHU-UHFFFAOYSA-N	409.449	5.080	30	20	HKED	
Cc1nc([C@@H](C)n2c(C)nnc2-c2cccc(C#N)c2)oc1-c1ccc(Cl)cc1	477364631	NLYVWBSYUOLFLR-CQSZACIVSA-N	403.873	5.351	30	20	HKED	
N#Cc1ccc(C[S@@](=O)Cc2ccc(Oc3ccccc3F)c(F)c2)cc1F	478375048	IQGIZPCCHISKON-MUUNZHRXSA-N	401.409	5.217	30	20	HKED	
C[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(F)cccc1F	479662552	HKZYPOCFHRAJSX-INIZCTEOSA-N	406.432	5.352	30	20	HKED	
N#Cc1ccc(SCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)cc1	482099091	BSESOAXBFXTTGL-UHFFFAOYSA-N	419.575	5.219	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(Oc4ccncc4)c3)cc2)cc1	482849793	QSYHIYBYABOPOO-UHFFFAOYSA-N	421.456	5.985	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4c(Cl)cccc4s3)cc2)nc1	486144937	DBVZPNIRNAKAPL-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F	490812854	MBXMBOSVMQPIAA-HXUWFJFHSA-N	414.431	5.263	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1	496613570	BGRWWJIONGCATJ-UHFFFAOYSA-N	421.610	5.294	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2ccccc2Cl)cc1	501378166	UXOBOXVFRZUALV-UHFFFAOYSA-N	422.937	5.313	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1	501596200	HTJFSFPXUIFKKT-CQSZACIVSA-N	421.488	6.132	30	20	HKED	
C=CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c(OC)c1	503807698	XZTRBQJLKJSLGH-INIZCTEOSA-N	422.550	5.112	30	20	HKED	
CCCc1c(NC(=O)Cc2c[nH]c3cccc(Cl)c23)cnn1-c1cccc(C#N)c1	504807004	UPBQHWZBYSHRSI-UHFFFAOYSA-N	417.900	5.012	30	20	HKED	
Cc1nc2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccccc1	505328010	BCOPHALHMNLCQK-GOSISDBHSA-N	420.394	5.238	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(CC#N)cc1	510034846	NMNYLENCHYEEMP-UHFFFAOYSA-N	407.514	6.063	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)s1	510750716	NSJRXUZVPBQVST-MRXNPFEDSA-N	400.887	5.326	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1OCC	511710202	KSPMYDLZJRIDNK-GOSISDBHSA-N	404.869	5.051	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(COc2ccccc2C#N)c1	513254005	GUHAXPDYHQEUJY-UHFFFAOYSA-N	409.489	5.060	30	20	HKED	
CCCOc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513868869	CAFCKTFRVCHOBR-UHFFFAOYSA-N	417.484	5.720	30	20	HKED	
C=C1CCN(C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3-c2ccccc2)CC1	518137059	QRCCGSQWAGCOAD-UHFFFAOYSA-N	414.534	5.250	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2c(F)cccc2Cl)cc1	519914317	TUTZLNVPFNIEAT-UHFFFAOYSA-N	423.875	5.446	30	20	HKED	
CC(C)CCOC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	520736149	XJDPEWZFLSWLNX-UHFFFAOYSA-N	422.594	5.518	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1	521735037	WIMBEGXWTWAYDY-INIZCTEOSA-N	421.591	5.805	30	20	HKED	
CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1S[C@H](C)CC#N	521810932	KQXMXTHPFHXECV-OAHLLOKOSA-N	419.953	6.317	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	522350152	XFJIJCLMNXMGPZ-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(C)ccc2SCC(F)(F)F)cc1OC	522942491	UOKKTLWLASQDLK-UHFFFAOYSA-N	411.445	5.475	30	20	HKED	
C[C@H](Nc1ncc(C#N)cc1Cl)c1cccc(NC(=O)Cc2ccccc2F)c1	524165722	ZRVMEQVVJWQSII-AWEZNQCLSA-N	408.864	5.100	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	524389904	GHAYVIYOEJNOML-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	525564511	FNVYGIYPEBLKOU-UHFFFAOYSA-N	406.313	5.583	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(C(F)(F)F)c(Br)c3)o2)cc1	527289516	YHVNZLULSRLPHH-UHFFFAOYSA-N	423.192	5.002	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)CCC(=O)Nc2sccc2C#N)cc1	533302843	YJZLZUFYNAAYOS-QGZVFWFLSA-N	419.550	5.317	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1c(C)noc1C	534569830	UBQCCWHWABOEIS-LJQANCHMSA-N	420.469	5.237	30	20	HKED	
COc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(Br)c1	540854928	VWGWWCATWCHBPE-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccccc1Oc1ccccc1C#N	540877206	ZLORDLLCAKHJNZ-UHFFFAOYSA-N	411.461	5.260	30	20	HKED	
COc1cccc(-c2nc(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)cs2)c1	541076260	ZJSUXTMFCBDWNB-UHFFFAOYSA-N	421.913	5.142	30	20	HKED	
COC(=O)COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543426452	AGMRSSLGRUZSDZ-RTBURBONSA-N	414.505	5.189	30	20	HKED	
CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1	543434809	MZNWULWORSAXEI-IBGZPJMESA-N	406.530	5.041	30	20	HKED	
COc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl	560229559	CVWBYXNOBLEYIQ-ZDUSSCGKSA-N	404.278	5.011	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4c3CC(=O)CC4)cc2Cl)cc1	566591231	VVJSEYDIQWVRTC-UHFFFAOYSA-N	416.864	5.314	30	20	HKED	
Cc1ccccc1[C@H](c1noc(CCC(=O)N(CCC#N)c2ccccc2)n1)C(C)C	566763853	BTDQFNQEDICMNQ-XMMPIXPASA-N	416.525	5.045	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncc(C(C)C)n1C(C)C	574388758	MPGQMVFLSABAOT-KRWDZBQOSA-N	414.575	5.023	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[C@H]1C[C@H](C)O[C@H](C)C1	574502421	XOSYSISZDAUOJL-ACDBMABISA-N	421.541	5.161	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccccn1	587988663	ATISEYXMOHCRBM-SFHVURJKSA-N	402.450	5.749	30	20	HKED	
CC1(C)Cc2cc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)sc2-c2ccccc21	588739174	YCYDVQRRUFODKI-KRWDZBQOSA-N	416.550	5.057	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1)Cc1cccs1	589260432	FZMJFBKPGZEVTL-UHFFFAOYSA-N	419.522	5.356	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	601187371	MCTBPQMFGFHLDJ-JOCHJYFZSA-N	420.516	5.374	30	20	HKED	
C/C=C/c1ccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C#N)c(OC)c1	603969096	BFVOCYUIWKEHFK-XVNBXDOJSA-N	404.491	5.346	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nn1C(C)(C)C	609064020	PLADLLNQOKZAGV-UHFFFAOYSA-N	416.525	5.464	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1SCCC#N)O[C@H](C)C2	609375930	NHEZLPVKAKHKMM-HHXXYDBFSA-N	422.550	5.157	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)o1	609434886	XKFHVOQJXIZNPT-FRQCXROJSA-N	409.555	5.994	30	20	HKED	
COC(=O)c1cc2cc(CSc3nc(C)cc(C(F)(F)F)c3C#N)ccc2o1	610167474	WVIVYJQZIHEDLV-UHFFFAOYSA-N	406.385	5.106	30	20	HKED	
Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)nc1	611791812	JYIZKOKSNPYQAM-FQEVSTJZSA-N	424.548	5.023	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346170	FXSYCDYDCNLSMJ-AWEZNQCLSA-N	407.709	6.260	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC)c1ccc2c(c1)OCCO2	615861029	ORWSHSBBEVHNEI-INIZCTEOSA-N	406.935	5.022	30	20	HKED	
N#C[C@H](C(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2)cs1	642281897	PFVJTNPYZCLGHU-GOSISDBHSA-N	421.909	5.080	30	20	HKED	
C=C(C)[C@@H](NC(=O)Cc1sc(C)nc1-c1cccs1)c1ccc(F)c(F)c1	681246143	RYUNARFFRSYVLK-LJQANCHMSA-N	404.507	5.434	30	20	HKED	
FC(F)(F)c1cnc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1	683927643	NJPZYOXNHMYEIH-BQBZGAKWSA-N	400.310	5.161	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccn2)c2ccc(Cl)cc2)cc1Cl	726473774	PLHALIFUBKQFIC-UHFFFAOYSA-N	413.333	5.664	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]2c2ccccc2OC)c1=S	727829141	GBYWLXGPCDMVLW-FQEVSTJZSA-N	424.545	5.209	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2ccccc2SCC#N)cc1Cl)c1ccccc1	728023883	BHCNKAVDABMGSJ-MRXNPFEDSA-N	421.953	6.381	30	20	HKED	
N#CCn1c(C(=O)OCc2csc(Cc3ccc(Cl)cc3)n2)cc2ccccc21	729767263	YUUJUIKOUVCEEO-UHFFFAOYSA-N	421.909	5.223	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)n1	729887059	QBFMGVWSTTUUCO-SNVBAGLBSA-N	411.733	5.572	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)n1	730393843	DCFIAGJFUVFODA-HNAYVOBHSA-N	400.475	5.440	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](O)c3ccc4ccccc4c3)cc2)cc1	731539913	ITEXLTMDURFJJI-VWLOTQADSA-N	423.472	5.359	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1	733080855	DFYLGPIGTSBKND-CMDGGOBGSA-N	415.268	5.377	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1	733639196	APSYOCFPCOBUIP-UHFFFAOYSA-N	423.860	5.249	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)cc1	735927679	XKNIUBCRBIDXDR-UHFFFAOYSA-N	424.456	5.492	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1	736956783	XONNDAYMLNMMFX-DEOSSOPVSA-N	413.496	5.893	30	20	HKED	
Cc1cc(C)c(NC(=S)NCc2cccc(-c3ccc(C#N)s3)c2)c(Cl)c1	739438556	ZCZSPGRWJDDWQU-UHFFFAOYSA-N	411.983	6.044	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)COC2	742436983	PHRXXLIFDVUUGS-DHZHZOJOSA-N	403.865	5.519	30	20	HKED	
CCCN(CC)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1	744029912	WWPRLSWCEFCEAE-JOCHJYFZSA-N	405.542	5.009	30	20	HKED	
COc1ccc2sc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c(C)c2c1	744034564	BTOFWVQUOXMPEE-AWEZNQCLSA-N	412.923	5.972	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)n1	745596135	CCLQBSQFSQYBPM-KRWDZBQOSA-N	422.506	5.042	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	748801905	QBJADNWFEHZDNH-IHWYPQMZSA-N	418.259	5.042	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)NCc2ccc(C#N)cc2)c(C(F)(F)F)c1	749002265	FVPWTPXPWMCVRR-CYBMUJFWSA-N	407.461	5.789	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccccc2)o1	749025370	DHDFDNIIBSTYOU-OAHLLOKOSA-N	424.840	5.004	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1O	750915518	GFSYOANMZUJRAN-ONEGZZNKSA-N	420.305	5.343	30	20	HKED	
O=C(/C=C\c1cnc(N2CCCC2)nc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750916716	OOFGNVMUYMJDSJ-ARJAWSKDSA-N	415.337	5.011	30	20	HKED	
Cc1nccn1-c1ccc(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1	751516422	BMKSWDGGNZNTSV-JXMROGBWSA-N	416.462	5.109	30	20	HKED	
Cc1cc(CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)s1	753392369	ACTFTBHEJFAZIR-OAHLLOKOSA-N	409.338	5.342	30	20	HKED	
Cc1ccc([C@H]2C[C@H](OC(=O)c3ccc(COc4ccccc4C#N)o3)CCO2)cc1	757521721	VKFPAYKZGDLRRR-HYBUGGRVSA-N	417.461	5.116	30	20	HKED	
Cc1nc(/C=C/c2nc(Cl)cs2)sc1C(=O)/C=C\c1nc(Cl)cs1	759077150	RLECZPIVDHYQOX-AWYLAFAOSA-N	414.364	5.738	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c1	760385561	GKAOXAPJONPHKQ-UHFFFAOYSA-N	409.445	5.111	30	20	HKED	
CC(C)(C)c1nc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cs1	766266045	GREGEENINNBFNQ-OAQYLSRUSA-N	418.566	5.460	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnn1CC(C)C	766429590	ZCEWBDLNTQILFY-UHFFFAOYSA-N	410.465	5.124	30	20	HKED	
C[C@H](c1ccccn1)N(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(N(C)C)cc1	766587720	KNCCBLKQIPBNKB-MRXNPFEDSA-N	404.901	5.081	30	20	HKED	
Cn1cc(COC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(C(F)F)n1	770375143	NFFFYSBAAGKTRD-UHFFFAOYSA-N	417.799	5.032	30	20	HKED	
Cc1c([C@H](C)NCc2cc(C#N)ccc2F)cnn1-c1ccc(Cl)cc1Cl	773030157	LRIILVALAQCORJ-LBPRGKRZSA-N	403.288	5.349	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1	776908822	RSPAYLUWRWKXSX-UHFFFAOYSA-N	400.869	5.131	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1	777215947	NYLFIDCUNXKVNV-IBGZPJMESA-N	412.961	5.546	30	20	HKED	
C#CCCCCCC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1	779937333	SOAHFESYNHWFBD-CQSZACIVSA-N	405.361	5.334	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1	780676164	ZPHWBSRWXXHZLI-KBXCAEBGSA-N	414.303	5.109	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1csc(COc2ccc(F)cc2)n1	789717959	BOECFGYMHJRKFW-UHFFFAOYSA-N	410.514	5.965	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	798815718	CQUNLWDTEXYBNC-LIRRHRJNSA-N	410.395	5.310	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccccc1Sc1ccccc1	800456447	ZTBMFPQJRIMVAI-UHFFFAOYSA-N	419.550	5.241	30	20	HKED	
Cc1cc(=O)oc2cc(N(C)C(=O)c3ccccc3Oc3ccccc3C#N)ccc12	805354364	OCFVGOLSWMMUDF-UHFFFAOYSA-N	410.429	5.042	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3nc(-c4ccccc4)no3)s2)cc1	814829261	NPEGFLWORGWNIF-UHFFFAOYSA-N	405.483	5.013	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)cc(Cl)c1F	864010023	HLVNKXINTSZLRR-ZDUSSCGKSA-N	420.315	5.889	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(Cc2nc3ccccc3s2)cc1	915996599	IURZCTIDIUVSEE-UHFFFAOYSA-N	400.532	5.568	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1	915997313	KXSFODMLPLOXBH-UHFFFAOYSA-N	409.461	5.559	30	20	HKED	
N#C[C@@H](C(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	916907237	XFURLOWBGAEMDC-KRWDZBQOSA-N	422.843	5.161	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2ccc(Cl)c(Cl)c2)cc1	916914122	VRNKMSJGZUSYHQ-KRWDZBQOSA-N	403.309	5.226	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2c(c1)Cc1ccccc1-2	916917281	CIDJVRRFWQLKDK-DEOSSOPVSA-N	402.453	5.372	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916977468	RVKZOJLDWWVRLO-MRXNPFEDSA-N	420.843	5.901	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1cccc(C#N)c1	917146432	MGFWVIZSIXCLNF-KHPPLWFESA-N	406.283	5.019	30	20	HKED	
CC(C)CN(C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc(C#N)cc1	918572100	APYKAZINOHNJHF-VWLOTQADSA-N	424.500	5.315	30	20	HKED	
C=C1CC(C(=O)N2CCC3(CCCN(C(=O)[C@H](c4ccccc4)[C@@H](C)CC)C3)CC2)C1	1809152653	DTHNFVJAWMTTIU-URXFXBBRSA-N	422.613	5.014	30	20	HKED	
C=CCNc1nnc(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)s1	11295749	JXTFKKMZVSBXCN-VIFPVBQESA-N	413.450	5.058	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2Cc2ccco2)cc1	15243115	REFCHMSYUGJWNI-KRWDZBQOSA-N	419.554	5.420	30	20	HKED	
Cc1nc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2cc(-c3ccccc3)sc2n1	21170229	VFNPVRVPYQGFFJ-JLCFBVMHSA-N	424.595	5.202	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1	23603908	KTJWCRQWKQMTJM-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cnn1-c1ccc(Cl)cc1	25841936	KKGJXDFCRKAQME-UHFFFAOYSA-N	406.917	5.703	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccccc2F)cc1)c1cccc(N2CCOC2=O)c1	72047169	OAHVLJPFNZPYGF-JLHYYAGUSA-N	417.436	5.257	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1OC	108967098	RTTUGUBDDIUTLR-CQSZACIVSA-N	417.481	5.594	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccccc2)cc1	113144684	CBZJIAAHKAQWFP-GOSISDBHSA-N	409.272	5.622	30	20	HKED	
N#CCCn1cc(CNCc2ccccc2Oc2ccccc2)c(-c2ccccc2)n1	237831665	PYGJQKCDXHDPSU-UHFFFAOYSA-N	408.505	5.546	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)nc2cc(Br)ccc12	303016085	YHSIFBFWBKIJOK-UHFFFAOYSA-N	422.326	5.230	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCOc4c(Cl)cccc43)c2)cc1	303589808	HGIGEAZZHHNPJJ-QFIPXVFZSA-N	418.880	5.044	30	20	HKED	
N#CCCn1cc(C(=O)CSCc2cccc(OC(F)F)c2)c2ccccc21	426546032	UOZHMUKLNODWSM-UHFFFAOYSA-N	400.450	5.272	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1	432911654	JNDNKJAMRWTZFB-QHCPKHFHSA-N	418.541	5.259	30	20	HKED	
Cc1ccc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2c1	435455043	CLIXCDAVONVUJL-KRWDZBQOSA-N	416.431	5.656	30	20	HKED	
O=C(NCCC(F)(F)F)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	438157425	OZDFLKSYBGSXOS-UHFFFAOYSA-N	411.277	5.106	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1	438483334	MSHDFXVRLCQOOR-UHFFFAOYSA-N	402.498	5.781	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N(CCC(F)(F)F)CC2CC2)cc1	438981782	VGCCRLGLPWVIPS-UHFFFAOYSA-N	418.484	5.655	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CC(c2ccc(F)c(Cl)c2)C1	439516110	QGECQQGVTJAQDV-JEYLPNPQSA-N	417.937	5.941	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)CC1	441670737	NTQYEOPIUWKMOD-UHFFFAOYSA-N	410.905	5.044	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444017452	DZEMSVVXXCFESO-MRXNPFEDSA-N	422.344	5.680	30	20	HKED	
CC[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ncc(-c2ccccc2)[nH]1	444024751	RKNRUBVBRLIMBX-NRFANRHFSA-N	411.509	5.216	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	462332522	DXEIMOQIFWLCBG-UHFFFAOYSA-N	420.281	5.343	30	20	HKED	
CSc1cccc([C@@H](NC(=O)c2sccc2C#N)c2cc(F)ccc2F)c1	464125271	DNGLJTKUCDNSQX-GOSISDBHSA-N	400.475	5.139	30	20	HKED	
O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1c(F)cc(C(F)(F)F)cc1F	464517234	JSXVMLKNYLYGCH-UHFFFAOYSA-N	401.297	5.369	30	20	HKED	
CO[C@@H]1CCOc2c(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cccc21	468691479	XNBBCENCTGYHKS-OAQYLSRUSA-N	418.424	5.212	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1	468875609	GCZRLDXMFHNSIL-RDJZCZTQSA-N	404.539	5.454	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2CCCCC2)cc1	471353632	AVCCILIDAXIJKX-UHFFFAOYSA-N	412.493	5.297	30	20	HKED	
COCCOc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1	471826842	ZLMFXZNFKKDCQU-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)c(F)c1	480537159	FTBLPUSEWMEXRZ-VBKZILBWSA-N	401.482	5.655	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1	481407182	LFDOJGLRTQIKFO-UHFFFAOYSA-N	419.312	5.267	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(-c2ccccn2)noc1C	481510137	LMEOUCXEEDUVJR-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc2ccccc2o1	481946419	XDTVHYNPKJXVGF-CABCVRRESA-N	411.552	5.655	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccccc1	482609586	MGUIGWWMEDJHFX-QFIPXVFZSA-N	403.526	5.205	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1ccc(F)c(F)c1	483124839	VFJXLNOUOJVKLR-SCLBCKFNSA-N	404.461	5.073	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	483210919	ZNFYUZHUHGBWGN-FQEVSTJZSA-N	414.896	5.240	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccccc1	483710762	MIRAIUSRWBPNTD-MRXNPFEDSA-N	406.873	5.293	30	20	HKED	
C[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1	486792670	VOXYLLCFUKUWKL-QMMMGPOBSA-N	402.335	5.093	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC12CCC(C(F)(F)F)(CC1)CC2	488311383	RTHMHIMJNVCLGJ-FTXHTYHOSA-N	411.493	5.715	30	20	HKED	
COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	488312858	LUVDCLLIXMOTKI-HNAYVOBHSA-N	417.962	5.443	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccccn1	488908834	LGIJYIUTWSEQMW-DLBZAZTESA-N	421.570	5.159	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3cccnc3)n2)ccc1Oc1ccccc1	490479575	LNTRRZJKAXXPPW-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1	490653523	UXYFMQZSHJUCIT-UHFFFAOYSA-N	415.880	5.719	30	20	HKED	
C=CCC(C)(C)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	500588763	WTHNNVVXKSWVNB-HNNXBMFYSA-N	409.370	5.226	30	20	HKED	
C=CCCOCCCCC(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1	501830583	OGESOAPMICNJLP-HXUWFJFHSA-N	415.509	5.082	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2N2CCCCCC2)cc1	502329950	FTCCCHPAPDPCDA-UHFFFAOYSA-N	407.518	5.019	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SCCC#N)nc(-c2ccc(Cl)cc2)n1	502996520	DMKTYXCXPJMQFI-UHFFFAOYSA-N	408.914	5.364	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1c(Cl)cccc1Cl	505513303	NDOWVQQQICDTRB-ZDUSSCGKSA-N	408.335	5.102	30	20	HKED	
Cc1cccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)c1	508372225	XGHJDUIDGICXSS-MRXNPFEDSA-N	407.930	5.432	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1	508577433	HFIXGIBFJJUNGA-LJQANCHMSA-N	422.598	5.042	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	509930934	QXGRTADYYHEBQL-HNNXBMFYSA-N	424.888	5.197	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1	511445815	REIXCMFDBYIQQX-HXUWFJFHSA-N	408.864	5.108	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511559474	BIIDXFNMFBQMIN-LJQANCHMSA-N	410.411	5.226	30	20	HKED	
COc1cc(F)c([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	512559657	MLDITVOMHNSDBX-ZIAGYGMSSA-N	417.506	5.120	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccccc1Cl	518665789	PKSBAPLFRFLBIB-OAHLLOKOSA-N	420.987	5.342	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCCCC1	518684402	DRLGDKXARWZBDM-LJQANCHMSA-N	422.598	5.246	30	20	HKED	
CSCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	521884295	LFZCCSKOFXIOEL-UHFFFAOYSA-N	404.560	5.966	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1	522634079	KRCSAIGZVPLSAD-OAQYLSRUSA-N	423.944	5.094	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1	522985894	SBIUEMXLGYOAMZ-REWPJTCUSA-N	417.578	5.265	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2	523064887	XFEWMDMBJZSUPH-YKBBIGDRSA-N	401.535	5.405	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)c2)cc1	523149499	IVHSYOBAEXGBAN-UHFFFAOYSA-N	414.484	5.158	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](Cc1ccccc1)c1cccs1	523991385	CRGFMPFOQQEZDE-JOCHJYFZSA-N	406.551	5.438	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccncc4)s3)n2)cc1	535640446	MOXULJJQGAENNH-INIZCTEOSA-N	402.504	5.127	30	20	HKED	
N#C[C@H](C(=O)c1cnc([C@H]2CCCO2)s1)c1nc(-c2ccc(Cl)cc2)cs1	536349016	HPXRDSDVXKOODM-UKRRQHHQSA-N	415.927	5.262	30	20	HKED	
CC(C)C[C@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	537495284	MRAOKDJQCGYMAY-RTWAWAEBSA-N	408.567	5.174	30	20	HKED	
C=CCCC[C@H](C)NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1	538425225	QWEIHNLNWMFPHY-INIZCTEOSA-N	400.519	5.031	30	20	HKED	
CN(CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	539578346	HMWFKCNTFDYBBQ-ZWKOTPCHSA-N	421.488	5.235	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)nn1CCC#N	540819301	PHZNVSDRRXDAIF-KRWDZBQOSA-N	407.440	5.033	30	20	HKED	
CCCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cccc(F)c1	541281271	PHNHDXHIJNPXQJ-INIZCTEOSA-N	422.529	5.468	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1	542924170	GKAUPHGEYCOBKY-HNNXBMFYSA-N	417.309	5.076	30	20	HKED	
C=CCOc1ccc(/C=C/c2nc([C@@H](OC)c3cccc(Cl)c3)no2)cc1OC	547181204	PSFVNRUNMWDGPD-ZUURVNMSSA-N	412.873	5.203	30	20	HKED	
CC(C)(C(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1cc(F)cc(C#N)c1	552169931	QGPHBACEOHTIGG-UHFFFAOYSA-N	419.481	5.161	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1	552222834	MOULIDMVMZXJNW-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccccc1Br	553664826	DLFKLXSBRZWANE-AWEZNQCLSA-N	418.360	5.208	30	20	HKED	
CC[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1	556608178	GBLNOLHDGBLNFN-FCHUYYIVSA-N	402.460	5.786	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl	557506458	OIXIMHZTHUJQMM-GFCCVEGCSA-N	423.763	6.058	30	20	HKED	
N#CCc1ccccc1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1	574102391	BFMGAEUATWLOAZ-QHCPKHFHSA-N	406.938	5.867	30	20	HKED	
CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CC[C@@H](C(F)(F)F)CC1	574601304	VXRPAESXTUJTNE-IYBDPMFKSA-N	422.476	5.190	30	20	HKED	
N#CCCC[C@H](NC(=O)C(=O)Nc1ccc2oc3ccccc3c2c1)c1ccccc1	578892739	VNBSHQDAVFCGJO-NRFANRHFSA-N	411.461	5.076	30	20	HKED	
O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(F)cc1C(F)(F)F	579051891	AILUSPRZDTWSGL-ZDUSSCGKSA-N	401.228	5.156	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)cn1)c1nc2ccccc2n1C(F)F	581923006	VHFRBXIXSCBERC-INIZCTEOSA-N	404.376	5.109	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1	583402999	GRCVKSFRTFDSDQ-QGZVFWFLSA-N	402.951	5.090	30	20	HKED	
N#Cc1cc(OCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1C(F)(F)F	589268986	CIOGFKSELOFKIH-UHFFFAOYSA-N	414.170	5.513	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	589909372	SETGNHWMZFVMKM-UHFFFAOYSA-N	415.493	5.477	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2cc(F)ccc2s1	592974122	OMFAJMNFESOQSM-GOSISDBHSA-N	421.497	5.444	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)CC1	601160388	PQWSMXHAILASKY-UHFFFAOYSA-N	417.509	5.252	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3csc(Cc4ccccc4)n3)cn2)cc1	603765130	YPOHRUWAMURQAQ-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
C[C@H](C(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1ccccc1C(F)(F)F	607830415	FXJIRTNPDMIZGA-JTQLQIEISA-N	409.301	5.528	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608110283	KNZMHBDFJPNGHA-RZFFKMDDSA-N	413.377	5.420	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Br)cc3O)c2)cc1	609128809	JGYRJOKMGCYVKP-UHFFFAOYSA-N	409.239	5.071	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCC(F)F)c1	609438916	OIUMVUMBYGXAGL-AWEZNQCLSA-N	405.470	5.046	30	20	HKED	
N#Cc1ccccc1/C=C/c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	609475539	HHXKQYXXWLZSPX-OUKQBFOZSA-N	403.445	5.177	30	20	HKED	
N#CC1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1	609792802	IJSBHJFFMNHCRO-UHFFFAOYSA-N	417.296	5.013	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1	609836225	VTHBVJISQQNPBK-HXUWFJFHSA-N	422.941	5.058	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)(C)c1ccc2c(c1)OCO2	609856902	BSONSZVNFSFIFF-UHFFFAOYSA-N	414.461	5.087	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609990960	ZCHYBBMIYOMTQV-UHFFFAOYSA-N	407.477	5.357	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	610014606	FUDWZHCLFNAUSW-DOTOQJQBSA-N	417.431	5.218	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)NC(c2cccs2)c2cccs2)c1	610018382	FSZGNDWDJSIDSU-UHFFFAOYSA-N	405.451	5.194	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	610122564	NVKRXKXVQXRNSQ-IBGZPJMESA-N	411.505	5.749	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1F	610313462	MWOSYUPNIGCVFM-UHFFFAOYSA-N	403.388	5.291	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)c1ccccc1F	613292303	GPGGOPMFFRGPFM-FQEVSTJZSA-N	423.447	5.425	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1	613392273	MNCZJDZDLXZVPV-KRWDZBQOSA-N	401.516	5.732	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N1CC[C@@](F)(C#N)C1	615537521	ZPDFDYWEUFGURF-HSZRJFAPSA-N	423.467	5.201	30	20	HKED	
O=C(Nc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1)c1cccnc1	642209434	IRFVZWLSQBYZFA-UHFFFAOYSA-N	423.497	5.048	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccccc2)cs1	642281920	YTEVACRVZDBAPI-LJQANCHMSA-N	417.515	5.336	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(C)oc3-c3ccccc3)n2)cc1	680617273	MEAYDGBPHODPLR-SFHVURJKSA-N	415.474	5.272	30	20	HKED	
Cn1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(-c2ccc(Cl)s2)n1	682771331	DFWYJLDLBLUZHJ-SNVBAGLBSA-N	416.890	5.041	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)s2)[n+]2ccccc2CC)c1	726572963	SGPGEQKRLJACEF-UHFFFAOYSA-O	405.568	5.211	30	20	HKED	
CC(=NOCc1nc(-c2cccc(Br)c2)no1)c1cc2ccccc2o1	727437890	UOWLNYABYKUTOA-UHFFFAOYSA-N	412.243	5.186	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Oc3ccc(Cl)cc3C2=O)cs1	729149067	BQSNTTKWCNKZII-GRSHGNNSSA-N	410.882	5.406	30	20	HKED	
N#C[C@H](C(=O)Cc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	729887872	DOFMQJGFXJSIRM-OAHLLOKOSA-N	420.843	5.901	30	20	HKED	
N#CCOc1cccc(/C=C/C(=O)c2ccc(Br)cc2Br)c1	730152081	ZYOOXPISZUGEAT-QPJJXVBHSA-N	421.088	5.010	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730416810	INLMUHZCJFHHLQ-OAHLLOKOSA-N	424.888	5.132	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)c2ccccc2)c1	730689412	GQHLONWTDVZZRG-BWKNWUBXSA-N	410.473	5.948	30	20	HKED	
Cc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C	730955232	VMKGPZCBIITLRD-UHFFFAOYSA-N	409.502	6.137	30	20	HKED	
Cc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)ccc1Oc1cccnc1	732713664	JWIAHCFXDFCUEH-BKUYFWCQSA-N	415.518	5.691	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1	733635703	DCZNBHQQZJBZOR-UHFFFAOYSA-N	403.482	5.411	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1	734644537	QXWQZTLKABDOLR-NOZRDPDXSA-N	410.521	5.133	30	20	HKED	
C=CC[C@@H](C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)n(CCCC)c1=S	735067796	OAZWVDAMLKUEEN-OAHLLOKOSA-N	406.983	5.005	30	20	HKED	
COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	740648324	YLMLYWXBDOOELP-JOCHJYFZSA-N	422.488	5.003	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	743058550	QDUUQNDBQAGDCK-UHFFFAOYSA-N	420.557	5.410	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1)C(=O)O	745021433	OJSHTCHLWOFNHQ-RBJHHQRMSA-N	423.446	5.071	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)c1	745821459	QXVNTCNJKOEKIP-NHTMILBNSA-N	405.542	5.154	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1	746524029	WYRMVJQSUABOGK-GOSISDBHSA-N	421.884	5.138	30	20	HKED	
Fc1ccc2[nH]cc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)c2c1	747043213	VCUUAWFCHOSCGG-UHFFFAOYSA-N	406.273	5.043	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)C(=O)c3cccc(F)c3)n2)cc1	747110221	PKFUOUZRTGBSHR-KUHUBIRLSA-N	422.481	5.043	30	20	HKED	
N#Cc1ccccc1CN(C(=S)Nc1ccc(OC(F)(F)F)cc1)C1CCCC1	747705099	BGMINSOCQRRXRC-UHFFFAOYSA-N	419.472	5.598	30	20	HKED	
COCCOC(=O)Nc1cccc(NCc2ccc(-c3ccccc3C#N)cc2)c1	749266637	ZDWPQVSLQRGAME-UHFFFAOYSA-N	401.466	5.032	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1C	750914621	ZULQTOLEQFSBDI-KHPPLWFESA-N	417.340	5.276	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccccc1Sc1ccccc1C#N	752274163	JNLPVZABPFPQKM-CRAIPNDOSA-N	408.548	5.013	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC2CCC(c3ccc(OC)cc3)CC2)ccc1OC	753566732	UOGSNLLQKGDXEH-KITAHSCOSA-N	408.542	5.201	30	20	HKED	
N#C[C@@H](C(=O)C1=Cc2cc(F)ccc2OC1)c1nc(-c2ccc(Cl)cc2)cs1	762024252	CXDGVDJROQOOEC-KRWDZBQOSA-N	410.857	5.255	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)[nH]c12	762062842	ABKQHFGWPWWIFL-UTKZUKDTSA-N	407.473	5.082	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cn(CCCC#N)c4ccccc34)o2)cc1	769542718	HQUMDNUSAJDAGH-QGZVFWFLSA-N	414.465	5.222	30	20	HKED	
O=C1/C(=C/c2nc(-c3cc(Cl)ccc3Cl)cs2)CCc2nc(O)ccc21	769609105	GMNBVQNLJWWBCA-JXMROGBWSA-N	403.290	5.430	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1	772032987	NBXCQVCNNFZOSK-DHIUTWEWSA-N	412.961	5.503	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3cccnc3)nc2C)ccc1OC	772986241	OOTUNCPAEMWEND-BEFAXECRSA-N	422.554	5.054	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2sccc2O)cs1	773151574	WYGSATVYFYTDLP-DAXSKMNVSA-N	404.900	5.144	30	20	HKED	
N#Cc1cc(N[C@H]2CC3(CCCCC3)Oc3ccccc32)ccc1N1CCC(O)CC1	777118281	TXWVWZGIKITPHC-QHCPKHFHSA-N	417.553	5.158	30	20	HKED	
CCN(Cc1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1)C(=O)OC(C)(C)C	777303251	BWBLMKFRZXTODJ-UHFFFAOYSA-N	419.525	5.251	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)C(C)(C)Sc1ccc(Br)cc1	780156163	DGOLEWFDCUUWQB-ZDUSSCGKSA-N	419.344	5.249	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CCC2	780577983	VMTRFPGMVWSQEE-FQEVSTJZSA-N	404.495	5.315	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	782556014	IWRXNWQYSFTTJP-INIZCTEOSA-N	414.465	5.286	30	20	HKED	
Cc1oc2c(CN3CCC[C@@](C)(C#N)C3)c(O)ccc2c(=O)c1-c1ccccc1Cl	784015013	UTEWJFLEVKNGKQ-DEOSSOPVSA-N	422.912	5.253	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1	790054493	PDJYRGLHGXKIQO-MRXNPFEDSA-N	418.852	5.074	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C[C@@H]1C2(Cl)Cl	791255102	QWPODQMRAGGSQP-AZUAARDMSA-N	417.361	5.365	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1)c1ccccc1	793198762	LVOUAVLBIZVASY-TZIWHRDSSA-N	411.343	5.070	30	20	HKED	
N#CC[C@H](CC(=O)OCc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1	796738576	CVWABICXQXIMNX-WIYYLYMNSA-N	413.901	5.029	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)OCCCC2(C#N)CCOCC2)cc1Cl	800191306	ZRSAJWUEHFZBSM-UHFFFAOYSA-N	424.884	5.261	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)ccc1NC(=O)OC(C)(C)C	803320466	VVFXMCJNDSWPHK-UHFFFAOYSA-N	406.486	5.040	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1cc(C(F)(F)F)ccn1	813212358	AQDABGZTXUQATM-JTQLQIEISA-N	421.227	5.308	30	20	HKED	
COc1cccc2c1[C@H](C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CC2	815912921	CTMIEVVKAWTKBX-ZIAGYGMSSA-N	416.424	5.230	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nccc2ccccc12)c1csc(-c2ccccc2F)n1	816045191	FDHCCEXOPSWQIE-GOSISDBHSA-N	415.493	5.651	30	20	HKED	
Cc1c(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)sc2ccc(C#N)cc12	856569718	KDKDSYAQGBHBNS-QGZVFWFLSA-N	420.538	5.028	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@H](c2ccccc2)c2ccccn2)cc1OC	861241373	CVFAUNFQNPCLKI-QTBBWUCDSA-N	401.462	5.001	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(C2SCCCS2)cc1	880569367	DGUMBMNJEOEZDN-UHFFFAOYSA-N	416.571	5.602	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1	915347170	FEWMFZCMXXISBH-UHFFFAOYSA-N	417.531	5.324	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1C(F)(F)F	916310381	ZAWYGAIJZAMZDW-UHFFFAOYSA-N	413.424	5.334	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1	916973074	TZKSZPQGOBTAPA-KSSFIOAISA-N	412.967	6.129	30	20	HKED	
Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)NC2=O)cc1Cl	917636135	PYRRIYFHLMNLJK-GOSISDBHSA-N	415.946	5.020	30	20	HKED	
C=CCN(C(=O)/C=C\c1cnccn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	918145719	JUYKXUWJTFHXDD-SEYXRHQNSA-N	424.529	5.500	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1SCc1ccccc1	918303713	FNPVPVDXYNSILM-UHFFFAOYSA-N	422.575	5.194	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	920104227	MWQGYJVXKMNZTM-LAUBAEHRSA-N	423.472	5.217	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1	920108902	KZMDCKLUUZIKJO-AUUYWEPGSA-N	402.416	5.109	30	20	HKED	
COc1cc(/C=C2\CCOc3c(ccc(Cl)c3Cl)C2=O)cc(OC)c1OC	921138321	DVGBSUMUSYNYBE-XYOKQWHBSA-N	409.265	5.068	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1819309694	GDUDGGWDEQCPKF-QUCCMNQESA-N	412.578	5.141	30	20	HKED	
C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1	1826424709	UCVNEEZJAIQRDG-JHMXWDHMSA-N	410.602	5.012	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@H]2C)CC1	1828478461	IPYKCTXSAKFRSX-HJNYFJLDSA-N	402.623	5.035	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1	9448493	VQCKNVJQGHIVBO-NXTQRVMMSA-N	407.583	5.397	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)SCc1ccccc1	44518966	FGDHBXPGONRHAJ-QGZVFWFLSA-N	403.507	5.314	30	20	HKED	
CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cccc(C#N)c1	57597216	WGTNXCNAMFKEOV-UHFFFAOYSA-N	409.839	5.080	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)Nc1cccc(OCCCC#N)c1	59771263	IJMHBXFQAPPFRN-UHFFFAOYSA-N	419.344	5.171	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)c1cccc(C#N)c1	63327028	FGUIWQJWSIAKIR-UHFFFAOYSA-N	409.898	5.111	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1	65808098	LQMXXIAHPPXYBH-UHFFFAOYSA-N	404.491	5.393	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc1OC	117494847	PWZFNDUYOKFTBS-QPEQYQDCSA-N	404.466	5.184	30	20	HKED	
N#CCCC[C@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1	433021390	QXNBCCLUYZFBCA-SFHVURJKSA-N	400.404	5.280	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n(C2CCCC2)c1C	433027784	MTFZMKFWQIZTTO-QHCPKHFHSA-N	417.557	5.055	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433271581	GIGGPLITSUQHHU-GOSISDBHSA-N	400.320	5.568	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1	438042588	GMPFSKCQCZEWQI-LSDHHAIUSA-N	403.935	5.181	30	20	HKED	
COc1ccccc1Oc1ccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)cc1	438862252	JGTRILFMYYKUQI-JOCHJYFZSA-N	415.493	5.332	30	20	HKED	
Cc1ccc(NC(=O)[C@H](NCc2cc(C#N)ccc2F)c2ccccc2)cc1Cl	439633725	MHXZZXYFMXKEMH-JOCHJYFZSA-N	407.876	5.129	30	20	HKED	
CCCc1c(NC(=O)Cc2cccc3ccc(OC)cc23)cnn1-c1cccc(C#N)c1	440092641	DQUQBVYGKNZOAU-UHFFFAOYSA-N	424.504	5.039	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1	442185840	CBORFKMLBIUDPQ-GOSISDBHSA-N	417.431	5.419	30	20	HKED	
Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	444396541	JZKOQJHPPJMLJH-IRXDYDNUSA-N	419.554	5.458	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2Cc2cccs2)c1	461297326	RRWDWIKRLVPAHW-FQEVSTJZSA-N	417.563	5.330	30	20	HKED	
N#CC1CCN(C(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1	465975410	WPUJOWJSNMACKE-UHFFFAOYSA-N	404.297	5.231	30	20	HKED	
CC(C)C[C@H](CCO)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	467610469	KAVWCGMQUXLXNJ-UWJYYQICSA-N	413.949	5.162	30	20	HKED	
COc1cc(Br)ccc1[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	468814590	CLSVDPZMXITMIJ-ZDUSSCGKSA-N	416.319	5.142	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(OCCF)c2)cc1	470283574	BZJIFRAQUMFEPB-UHFFFAOYSA-N	421.447	5.280	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4nccnc4cc3F)cc2Cl)cc1	470830524	IMAPDULLNPUSDB-UHFFFAOYSA-N	418.815	5.339	30	20	HKED	
CC(C)(C)OC(=O)CCc1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1	471341797	SQBDPSBFGJBNGO-NRFANRHFSA-N	407.514	5.127	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3nnc(-c4ccc(Cl)cc4)o3)c2)c1	471605748	NQFYTMHHHMAHDY-UHFFFAOYSA-N	416.868	5.453	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cc(C)ccc2C)cc1	474725571	CHQJMCNSXHOVMS-DEOSSOPVSA-N	417.553	5.487	30	20	HKED	
Cc1c(NC(=O)c2ccc(C(C)(C)C#N)cc2)cccc1-c1nnc2n1CCCCC2	474896073	OVSGLGKDFNIWKU-UHFFFAOYSA-N	413.525	5.033	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCN(Cc2ccccc2)C1	475005961	BSBHXVLPVFBKAW-PZJWPPBQSA-N	422.598	5.067	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)c2)cc1	476511954	LUXQZQWFEYHFDF-HSZRJFAPSA-N	411.505	5.353	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3csc(-c4ccco4)n3)cc2)cc1	478594519	SVQSDVOBVMTUIR-UHFFFAOYSA-N	416.462	5.389	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1	492129318	LAUNMEZGFDBDAT-UHFFFAOYSA-N	411.284	5.144	30	20	HKED	
N#Cc1ccc(Br)c(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1	492606271	JKKYRBREHNHIBA-INIZCTEOSA-N	401.201	5.243	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1	492897489	YMCOYZHGMIZCEV-UHFFFAOYSA-N	400.547	5.351	30	20	HKED	
CCC[C@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	499068285	GHHLEAMBNBPQEE-HNAYVOBHSA-N	413.509	5.216	30	20	HKED	
C=C[C@@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)c1ccccc1	501824858	IJGDPVUQELHMEE-SIKLNZKXSA-N	401.510	5.540	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1	502760818	PIFCREHBQRARSW-VIFPVBQESA-N	424.334	5.456	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)ccc21	503579394	MPYLZIMJZJGPRV-GOSISDBHSA-N	403.507	5.004	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	505325584	IYFXYBIKTQJEPW-ZDUSSCGKSA-N	424.353	5.343	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3CCC(OC(F)F)CC3)c2)cc1	506660192	ALDOXWUOGYZXJJ-UHFFFAOYSA-N	414.452	5.068	30	20	HKED	
Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN1CCC(C)(C#N)CC1	507723549	LZHDNWSQEFSTFM-UHFFFAOYSA-N	404.489	5.238	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ccccc2)CC1	508903418	OVEJDNJMLKQLAV-ZEQRLZLVSA-N	414.553	5.093	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cc1Cl	510058068	UQZNILVXINMWTJ-IIBYNOLFSA-N	409.917	5.028	30	20	HKED	
F[C@@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2ccnc(OCC(F)(F)F)c2)n1	512014145	CFSYFPUKBHTFQV-ZDUSSCGKSA-N	421.272	5.150	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CC=C(c3ccccc3Cl)CC2)c1C#N	512242096	IPCMFEIMLNRFLH-UHFFFAOYSA-N	409.942	5.135	30	20	HKED	
N#Cc1cnc(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)c(Cl)c1	513624234	JPORGCLVVTZWJA-UHFFFAOYSA-N	421.888	5.204	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Oc2cccnc2)cc1	514155054	BQHPXYGIKDRJKP-KRWDZBQOSA-N	400.482	5.558	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC(F)F)cc1	519434367	WFQXIALFCBKBCK-UHFFFAOYSA-N	416.371	5.565	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	520271567	YLUKDIQVWYEVOT-ZQIUZPCESA-N	413.226	5.497	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCCCc3c[nH]c4ccccc34)cc2)cc1	520352804	FLFAEYTUWUNUJJ-UHFFFAOYSA-N	409.489	5.389	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4cccs4)cs3)cc2)nc1	521955777	XARZUCLAKJDADB-UHFFFAOYSA-N	404.476	5.183	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H]2c2cccnc2)c1	522595372	GYPINHWEUQSXQP-OAQYLSRUSA-N	403.869	5.376	30	20	HKED	
C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	522822972	BYSDUJIGXHOEHP-HNNXBMFYSA-N	417.925	5.708	30	20	HKED	
CC(C)n1cc2cc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)ccc2n1	522924375	AKAFETURBAMLEN-UHFFFAOYSA-N	410.477	5.728	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	525455212	KRCDNXQLJZNVBL-IBGZPJMESA-N	423.557	5.154	30	20	HKED	
C[C@H]1CCCCN1Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1	533211783	AVDGWQKUZUEYAE-NRFANRHFSA-N	413.569	5.450	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1	534046728	RQOLWGZUTMESSB-DEOSSOPVSA-N	417.553	5.201	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc3ccccc3cc2OC(F)F)c1	534167378	QPIPUZLMDQWMQN-UHFFFAOYSA-N	404.319	5.167	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)[C@H]3CCOC3)cc2)cc1	537890708	KYHBXHHAPFRLMA-WIOPSUGQSA-N	412.489	5.053	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nc2ccccc2o1	539759503	RWRQCTVLIGBWAK-CQSZACIVSA-N	410.474	5.177	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1cc(F)ccc1Br	541285322	XBLCJHLUXOWNFG-CYBMUJFWSA-N	421.335	5.554	30	20	HKED	
Cc1nc(-c2ccc(N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc2)nc(O)c1C	542040164	VUMZCVPTJSZZOY-SFHVURJKSA-N	421.504	5.573	30	20	HKED	
CC(C)(C)OCc1cccc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1	562207421	FMFIFHPVMJBHKP-UHFFFAOYSA-N	413.521	5.118	30	20	HKED	
C=CCC(C)(C)c1noc(CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1	563266288	KLVYANRGUDQDGE-UHFFFAOYSA-N	407.301	5.455	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)nc2ccccc12	568558805	GZPQTHIDGVZQPZ-UHFFFAOYSA-N	407.433	5.003	30	20	HKED	
C[C@H](Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1	568924126	WJSXJVWOYZQSTP-INIZCTEOSA-N	405.885	5.402	30	20	HKED	
CC[C@@H](c1ccc(Br)cc1)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1	580859577	VAIBKADSVCGIPB-HKUYNNGSSA-N	421.298	5.096	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1cccc(C)c1C	581517335	YXHFXKJSNTXQMG-QHCPKHFHSA-N	402.542	5.139	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NCc3ccc(C#N)cc3C(F)(F)F)cc2)cs1	582091598	ADJHPJKHSUMLBP-ZDUSSCGKSA-N	401.457	5.860	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)c(Cl)c1	590408960	DAUCLXUZGUDLPQ-UHFFFAOYSA-N	420.658	5.972	30	20	HKED	
Cc1sc(NC(=O)COc2ccc3cc(Br)ccc3c2)c(C#N)c1C	594668901	UKAOKDKIFKWQGO-UHFFFAOYSA-N	415.312	5.170	30	20	HKED	
COc1cccc(CN(CC(C)C)C(=O)c2ccc(COc3ccccc3C#N)o2)c1	603956146	HTQMPYOTSOLSGA-UHFFFAOYSA-N	418.493	5.037	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CSc2ccccc2Cl)cc1	604003532	IGIXPOKKSKSORL-UHFFFAOYSA-N	422.937	5.716	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604434046	ZSJUBPYVYAAWAL-CQSZACIVSA-N	408.408	5.249	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](Sc1ccccc1)C(C)C	608897116	NRCOXEPMZOGLDU-JOCHJYFZSA-N	417.534	5.809	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C2CC2)o1	609057522	JMELAKIWMBBKCP-KSFYIVLOSA-N	416.477	5.251	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl	609371416	JUXIUPHONGOBAW-CABCVRRESA-N	404.988	6.167	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	609463536	CVLISNPFFPBNBS-SFHVURJKSA-N	402.306	5.420	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1	609646969	MWMSMAWXPJTYLF-QGZVFWFLSA-N	409.445	5.305	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCS[C@H](c4ccccc4)C3)c2)cc1	609789849	FUUDJLCXVXBZBM-DEOSSOPVSA-N	414.530	5.068	30	20	HKED	
CCCOc1ccc(CN(CCC)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1OC	610407576	ZQLIXJDEHUAAME-SFHVURJKSA-N	409.530	5.038	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2ccccc2n1	613292513	MWBVGUSBRCOFMW-JOCHJYFZSA-N	414.468	5.578	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc2cc(Cl)ccc2s1	613403825	VMFYLPYTUPHTQK-LBPRGKRZSA-N	419.289	5.254	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CC)c1ccc2c(c1)OCCO2	615861030	ORWSHSBBEVHNEI-MRXNPFEDSA-N	406.935	5.022	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)NCc2ccc(C#N)c(Cl)c2)cc1	619826842	LHNRTNYAPCWNQW-UHFFFAOYSA-N	419.912	5.132	30	20	HKED	
O=C(CNc1cccc(C#Cc2cccs2)c1)Nc1ccccc1C(F)(F)F	620101440	QHHDKTQZNRXLSE-UHFFFAOYSA-N	400.425	5.217	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2cccc(SC(F)F)c2)cc(OC)c1OC	727596595	LMTQHGKAVLZSQS-UHFFFAOYSA-N	408.470	5.069	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1OC(F)F	728694574	BNNVKGIXAUNVBQ-VOTSOKGWSA-N	401.390	5.036	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccccc2C(F)(F)F)cc1	729888770	OJCWBMUSRKRRCF-KBXCAEBGSA-N	402.416	5.109	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1cccc(OCCCc2ccccc2)c1	731939583	ZCUNKRLHXKAEES-OQKWZONESA-N	406.551	5.201	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	733755478	SEYLPAKPMISKHZ-HNNXBMFYSA-N	407.564	5.156	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2ccc(Cl)c(Cl)c2)c1	733805605	QZCCHNZHDSDDKT-QGZVFWFLSA-N	420.340	5.406	30	20	HKED	
C#CCOc1ccc(NC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1	740453174	AOFYFTMQWFASND-GOSISDBHSA-N	419.550	5.664	30	20	HKED	
CCCOc1c(Cl)cc(C=NO[C@@H](C)c2nc(C(C)(C)C)no2)cc1OCC	742352690	WXTNFWKYRCQIGN-ZDUSSCGKSA-N	409.914	5.320	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)c2ccccc2SCC#N)c(C(F)(F)F)c1	742896304	PILLANYQTGHFRS-UHFFFAOYSA-N	422.472	5.428	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	743092879	GABYXHRXHAFMKL-CLJLJLNGSA-N	409.533	6.410	30	20	HKED	
Cc1cccc(F)c1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	743105489	RGLBKBFIHWXBIR-UHFFFAOYSA-N	403.457	5.101	30	20	HKED	
C=C[C@@H](CC(=O)O[C@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1ccccc1	758915443	ZOIFHTPVIHBZLU-MSOLQXFVSA-N	412.555	5.100	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)Cc2c(Cl)cc(Br)cc21	759090742	LQMHVICNKRPFRM-WZUFQYTHSA-N	417.715	5.443	30	20	HKED	
N#Cc1ccc([C@H](O)CNC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1	763226686	MZMRTLXDPHOGSQ-SQJMNOBHSA-N	415.924	5.148	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cc1	763370048	KTSVHZQVWRJVIX-CYBMUJFWSA-N	420.435	5.170	30	20	HKED	
N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc2ccccc2s1	769774873	WUMTUIHERWCGSD-FYQHACEVSA-N	406.816	5.772	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1ccco1)c1cccc(Cl)c1)c1ccc2ccccc2n1	772638926	VNIIIUDNVDNVCM-OAQYLSRUSA-N	415.880	5.364	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(C)ccc2OC(F)F)ccc1OC	772978450	FJTIZXHJECXUKW-NVXWUHKLSA-N	404.457	5.137	30	20	HKED	
CC1(C#N)CCN(Cn2nc(-c3ccccc3Cl)n(-c3ccccc3)c2=S)CC1	779878839	OKNBEEOCFSUXMB-UHFFFAOYSA-N	423.973	5.307	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1	779989083	NFYBDFWNDMCCHO-INIZCTEOSA-N	405.885	5.495	30	20	HKED	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)Nc3ccccc3O[C@H](C)C#N)sc2n1	780153796	YDAOCLIIOCRWSW-MRXNPFEDSA-N	416.506	5.247	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	780163560	IAAQMVVONTYFOS-NYHFZMIOSA-N	424.859	5.529	30	20	HKED	
CC1(C)C[C@@H](NN=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CCO1	780246511	JDIKYWBUYIJFSU-KRWDZBQOSA-N	420.340	5.127	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N	780681720	PANJDFGKSQPQJG-FXAWDEMLSA-N	405.523	5.453	30	20	HKED	
Cc1cc(S[C@@H](C)C(=O)OCCCC(C)(C)C#N)n2c(nc3ccccc32)c1C#N	782373315	QWEHMNYHSHYGIT-INIZCTEOSA-N	420.538	5.021	30	20	HKED	
COc1ccc(/C=C2\N=C(S[C@H](C)CCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1	787488730	VGIXIYWZWCPYCJ-OSVNEOKWSA-N	419.550	5.481	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nccc2ccccc12	792101558	BAWMREZPGAGYQT-AABGKKOBSA-N	409.514	5.771	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/COc3c(Cl)ccc(Cl)c3C2=O)cn1	792885657	OQHGIUHDSWUSIC-JYRVWZFOSA-N	413.260	5.118	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797572954	LUXOVIQCJHXNOQ-HNNXBMFYSA-N	413.543	5.207	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	801644641	FPRULALNKIOXRC-VBKZILBWSA-N	421.394	5.099	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1	802042984	NKHQXXQLKAOYGW-JTSKRJEESA-N	418.537	5.101	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1Cl	808260232	NGOUTLMGWLHLGR-QGZVFWFLSA-N	415.802	5.662	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	808843570	QJXZNQLPUZUXFU-IRXDYDNUSA-N	402.454	5.047	30	20	HKED	
N#C[C@H](C(=O)C1(C(F)F)CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	808978920	QAVQMCJYMJDZBL-GFCCVEGCSA-N	415.292	6.119	30	20	HKED	
O=[N+]([O-])c1ccc(-c2ccc(C=NOCc3ccccc3)o2)c(Br)c1	839419605	IVQOPXPYUCCBAS-UHFFFAOYSA-N	401.216	5.168	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4cccnc4Oc4ccccc4)no3)CCCC2)cc1	904456587	QPDSQHUZJRUHCC-UHFFFAOYSA-N	408.461	5.656	30	20	HKED	
C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	904491408	UZIOMBYTQPREKC-SFHVURJKSA-N	419.488	5.352	30	20	HKED	
CCc1ccccc1NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1	915051662	LXUHOYVZWKUZJR-UHFFFAOYSA-N	400.454	5.114	30	20	HKED	
O=C(Nc1cccc(C=NNCc2cccc3cccnc23)c1)c1ccccc1Cl	915960025	WGWCSDPNTGELTK-UHFFFAOYSA-N	414.896	5.264	30	20	HKED	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	916915786	JQMSVXDHMKKRAT-KUHUBIRLSA-N	408.910	5.321	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	917714128	XGXCMLOLVRPUTM-UHFFFAOYSA-N	419.506	5.886	30	20	HKED	
CCCCCCCCCN(C)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1	918397620	IIAMGAWGFIBRSI-UHFFFAOYSA-N	413.027	5.463	30	20	HKED	
CCSCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	918486821	LRKBJYMODVCGGW-QGZVFWFLSA-N	407.322	5.208	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1	920103841	DHNLNLSOUROGAO-FQEVSTJZSA-N	414.505	5.346	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3nc4ccccc4s3)n2)cc1	920139596	VPQRCVKLFGIQJC-OFAQMXQXSA-N	417.515	5.318	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2cccc(C)c2)c1	10168015	LEDUOXONOSIMDT-UHFFFAOYSA-O	403.571	5.567	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	16749293	SGSYPALQVIMZDF-ZDUSSCGKSA-N	424.551	5.058	30	20	HKED	
Cc1cc(C)c(C#N)c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)n1	22360727	UCJFGPPEKSFRLL-HSZRJFAPSA-N	419.525	5.049	30	20	HKED	
C[C@@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1	26438104	RMVDMSSQBBQKSF-NSHDSACASA-N	406.458	5.392	30	20	HKED	
N#Cc1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1Cl	39563047	VYAJWPDBMFZZCM-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	58688815	HPDNNJMQQCSBBP-UHFFFAOYSA-N	404.491	5.287	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)o1	59367827	QWPFFKPIJGJIME-UHFFFAOYSA-N	409.445	5.726	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(-c3ccc(C)cc3)n2)cc1	65870072	RXHJUDRSJYXRJW-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
C=C(C)CN1CCC(NCc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1	236690739	FFZQIMAVADQSEE-UHFFFAOYSA-N	400.998	5.089	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1	303066489	WAZZIGMFLCLCBT-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
CCc1c(C)sc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1C#N	409921593	IOHZIFFDKGTUMM-UHFFFAOYSA-N	423.485	5.690	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccccc1OCc1ccccc1)c1ccccc1	431806935	DQKJWMPNPYVWIT-DEOSSOPVSA-N	413.521	5.500	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccccc1	435097232	GCFFKHADQOUGJJ-JOCHJYFZSA-N	412.480	5.277	30	20	HKED	
N#Cc1cccc(C2(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)c1	435175131	ZIANEMGQSRVZKE-HSZRJFAPSA-N	405.501	5.019	30	20	HKED	
CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)C2	435614892	NOQDOKCLKOKZNY-QGZVFWFLSA-N	409.555	5.460	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	437391752	YALKWMDHOFABTQ-LBPRGKRZSA-N	407.804	5.367	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c1	438251210	AKUIERJBGCVCJC-UHFFFAOYSA-N	417.815	5.327	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1	440238176	HRVJAWLWIPKAOP-FXAWDEMLSA-N	407.905	5.108	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1C	441296878	OAOXFWIQYXKNLT-GFCCVEGCSA-N	417.250	5.141	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)Cc3nnc(-c4cccc(C#N)c4)o3)cc2c1	441431961	DWVWCDRYCMXCKA-UHFFFAOYSA-N	424.460	5.458	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(CNC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	442202812	ZNFVNQUAVCEAAG-FQEVSTJZSA-N	419.447	5.171	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2sc3ccc(F)cc3c2C)c1C#N	445566684	ZGALXNYMJGPAIY-UHFFFAOYSA-N	422.510	5.380	30	20	HKED	
COc1cc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC	445922125	RVTUNFWLPSPJFF-UHFFFAOYSA-N	402.450	5.237	30	20	HKED	
Cc1cc(-c2csc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)ccc1F	447508008	PDUKKIWHYZLSKQ-UHFFFAOYSA-N	404.426	5.037	30	20	HKED	
C=C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1)c1ccccc1	448456676	LSVLIPABXSPZHN-CQSZACIVSA-N	401.388	5.362	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cc2)c1	462261117	IGNBBDYXPQBYFW-XUZZJYLKSA-N	413.477	5.392	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	467705002	OENVACSJIWYYME-IRXDYDNUSA-N	405.527	5.007	30	20	HKED	
CCOc1ccc(Oc2ccc(NCc3nnc(-c4ccc(C#N)cc4)o3)cc2)cc1	471620059	RELWWLLNMORIDX-UHFFFAOYSA-N	412.449	5.411	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cc2cccc(F)c2o1	475099642	YDDYKNXQVKCTNN-CQSZACIVSA-N	404.397	5.107	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccncc1)Cc1cccnc1	475567087	WCTNUNNGTKAEGJ-UHFFFAOYSA-N	400.526	5.563	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1CCN(Cc2cccs2)CC1	475588538	XSHOJLVHYTVFCF-UHFFFAOYSA-N	411.615	5.634	30	20	HKED	
COc1ccc(C2(CNC(=O)C[C@@H](CC#N)c3ccccc3)CCCCC2)cc1OC	476061014	KMOSPBMTOOHPKD-OAQYLSRUSA-N	420.553	5.109	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(OCc2csc(C)n2)c1	476176861	ZQNGDKLELPLHAL-UHFFFAOYSA-N	406.551	6.135	30	20	HKED	
C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccs1	481373932	OAEULJXQIDOZOQ-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
C=C(C)CN(CC)C(=O)CSCc1cc(-c2c(OC)ccc3ccccc23)no1	481990132	PFATWTSLCXHMJU-UHFFFAOYSA-N	410.539	5.161	30	20	HKED	
Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	482492261	BVBITGBHTDZWJN-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nccc2ccccc12	483246718	USVPASDUJZNKBT-QHCPKHFHSA-N	401.469	5.728	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)sc2c1CCCC2	483764677	YQUDOUUODFTFIC-UHFFFAOYSA-N	401.491	5.003	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cc(F)c(F)cc1F	494838343	ZNTFQRLQRNIOFU-UHFFFAOYSA-N	418.362	5.310	30	20	HKED	
C[C@H](C1CCC1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496341685	IBKYASQREOVBNP-GFCCVEGCSA-N	422.476	5.277	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)cc2F)cc1	496515255	KVNZPXPXVVVZLU-QHCPKHFHSA-N	408.448	5.176	30	20	HKED	
N#C[C@@H](C(=O)c1cnccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F	501330004	HSULZUCACHGTOD-HNNXBMFYSA-N	404.376	5.109	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2c1	504600547	XWFPUUQRFDASQS-KRWDZBQOSA-N	411.383	5.025	30	20	HKED	
Cc1nc(CCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)oc1-c1ccccc1	505531927	HMQZXYDWUNRVDM-KRWDZBQOSA-N	414.292	5.271	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2cccs2)cc1	508247400	HHEJXDFONZGUJI-HNNXBMFYSA-N	407.495	5.646	30	20	HKED	
C[C@@H](NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1F	512623572	GBVKAZNYZGKNBK-LJQANCHMSA-N	410.496	5.460	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cs1	512958641	LTQXWCADUIYDSS-MRXNPFEDSA-N	402.504	5.127	30	20	HKED	
N#Cc1c(NC(=O)COc2ccc(Cl)c3cccnc23)sc2c1CCCCC2	514397027	ZOAFSRFJRHNWBI-UHFFFAOYSA-N	411.914	5.108	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cnc(C4CC4)s3)cc2Cl)c1	517079038	CORRABRSXJAEIW-UHFFFAOYSA-N	409.898	5.377	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Br)cc1	517460815	XRDZEFDQGRGVCG-UONOGXRCSA-N	418.360	5.140	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1	518756062	XALDCFYKQITRQY-ZWCUEREDSA-N	409.555	5.370	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	519451058	PQHQLAGNMBHRKN-INIZCTEOSA-N	410.499	5.067	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C	521693206	OEWGIABRHCYINK-NRFANRHFSA-N	419.569	5.272	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)cc1	521928557	APJDMMLFFLUDCS-UHFFFAOYSA-N	414.358	5.955	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccccc3)c3ccccn3)c2)c1	524489708	NYPWNKSWMMYVIN-UHFFFAOYSA-N	419.484	5.379	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc2ccccc2c1	524614127	SZKFQNKKEIRFMX-MSOLQXFVSA-N	420.603	6.667	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)N(CCC#N)Cc3cccnc3)cn2)cc1	524959798	DXAOLPDXJLWEPQ-UHFFFAOYSA-N	414.509	5.122	30	20	HKED	
CC[C@@H](CNCc1cn(CCC#N)nc1-c1ccccc1)Oc1ccccc1Cl	530664538	FPQVWLDKAXORNN-FQEVSTJZSA-N	408.933	5.064	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C1CC1	533138527	JIFPOHXUUPYHEU-LBPRGKRZSA-N	422.382	5.188	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541158720	KBKXZIXQNJSCMA-WAIKUNEKSA-N	413.525	5.173	30	20	HKED	
Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(Cl)c1C	541184320	PTXIIWPQKLZOOP-UHFFFAOYSA-N	414.943	5.225	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)s1	541627233	OZCDPWVBLQASRE-KGLIPLIRSA-N	407.992	5.333	30	20	HKED	
CC(C)CNC(=O)c1cccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542013489	GVNWRJGIIVPHNJ-HXUWFJFHSA-N	411.549	5.462	30	20	HKED	
C[C@@H](NC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	543008647	ASXKRPKCAQTMEI-DVECYGJZSA-N	417.553	5.467	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1ccc(C#N)cc1OC(F)F	544480298	TZRJWTJAAJPFKN-GFCCVEGCSA-N	417.456	5.582	30	20	HKED	
Cc1c(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)sc2ccc(C#N)cc12	550011677	XXSHBQHGFXNFCK-UHFFFAOYSA-N	410.926	5.171	30	20	HKED	
C=C[C@](C)(CCOC)c1nc([C@@H](Oc2ccc(Br)cc2)C(C)C)no1	554833233	OASYYXKDDMGALS-QFBILLFUSA-N	409.324	5.088	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc(Cl)c1Br	560227256	LPAUVQJPIDNLAN-LLVKDONJSA-N	417.612	5.315	30	20	HKED	
CC(C)Oc1cccc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	561175086	JGZKFEJLGAMFJF-KRWDZBQOSA-N	414.596	5.597	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4cccnc4)cc3)cc2)nc1	561752099	TZWFTNVNMANYAQ-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(-c3ncon3)cc2)cc1F	567394265	LQRNEGFLDJWPLI-UHFFFAOYSA-N	415.384	5.184	30	20	HKED	
CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	568835144	HAAAIXPHRNUYFK-AWEZNQCLSA-N	418.806	5.196	30	20	HKED	
Cc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cccc1-c1ncco1	573750368	PYRKDBCXKFNMBQ-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(CC(F)(F)F)CC1	574105312	YPBNSPODPSLTAV-UHFFFAOYSA-N	407.276	5.529	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)cc1	580255537	SYJRJTFEGNQRCF-UHFFFAOYSA-N	423.476	5.308	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)c1ccccc1	582054624	OUWFMRMRQPLWSX-FQEVSTJZSA-N	405.885	5.692	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(CN[C@H](CCCC#N)c3ccccc3)c2)cc1	590069708	ITVUZVLAEUTUDS-RUZDIDTESA-N	413.521	5.472	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	590668785	APRCOSXHVHUJPP-XQQFMLRXSA-N	421.303	5.312	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)c1ccc(Cl)cc1	603990039	GNNDMROCEHWMQX-UHFFFAOYSA-N	419.912	5.095	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(NC(C)=O)c1C	606770285	MMSLDJNWMPUUAC-UHFFFAOYSA-N	406.404	5.098	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cccc(OC(C)C)c1	609060837	OIJIXFKAJMDFPP-UHFFFAOYSA-N	414.505	5.414	30	20	HKED	
COc1ccc(Cl)cc1NCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609176528	OFDVVTRHISUPQV-UHFFFAOYSA-N	407.857	5.063	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Sc2ncccn2)cc1C	609207453	DCESKUINRTUSET-UHFFFAOYSA-N	415.522	5.028	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1	609252894	WJGSZOREUVGLDU-XMMPIXPASA-N	413.477	5.346	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccc2ccccc2c1	609384930	WKJUXTNXORJKCA-SFHVURJKSA-N	403.551	5.162	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1	609433365	VZLZFOQKCTYYOQ-UIOOFZCWSA-N	416.496	5.286	30	20	HKED	
CC(C)[C@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	609636019	GFOQMOYVJFXZNB-NRFANRHFSA-N	405.542	5.622	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)s1	609644040	GZWUILUIGAHJES-MRXNPFEDSA-N	405.523	5.044	30	20	HKED	
COc1cc(C[S@@](=O)CCCc2ccccc2)ccc1OCc1cccc(C#N)c1	609742970	GCFLJDJMMONPCP-PMERELPUSA-N	419.546	5.027	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1	609928061	JGTNHTLGYRZZIS-IBGZPJMESA-N	415.468	5.586	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3CCC(F)(F)F)cn2)cc1	611146154	ILPWTEHXEUENOK-UHFFFAOYSA-N	411.383	5.493	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N1CCC[C@@](C)(C#N)C1	612318355	BFJBBADMAAADFJ-FQEVSTJZSA-N	417.918	5.013	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)oc2ccc(Br)cc12	613291221	WIVCKTIDLUCJSM-MRXNPFEDSA-N	405.251	5.542	30	20	HKED	
Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2cccc(F)c12	618301452	PYGYPCPKBXIXOQ-UWVGGRQHSA-N	413.358	5.552	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCCC2	685470375	PZCBEYNIBAKHAZ-JKSUJKDBSA-N	406.473	5.363	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1Cl	727631379	FBQZSDDJPJZMGI-FWLQQBITSA-N	414.864	6.021	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3c(Cl)nc4sccn34)s2)cc1	727974089	FXAZZAFUHBVCOV-BQYQJAHWSA-N	415.927	5.386	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2csc(-c3cccs3)n2)SC1=S	728610983	QQLUUZSXXUXQSP-OVCLIPMQSA-N	411.558	5.149	30	20	HKED	
C=CCc1cc(CNCc2c(OC(F)F)ccc3ccccc23)cc(OC)c1OC	729683496	SMBPRRYWVRKUOP-UHFFFAOYSA-N	413.464	5.477	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	730689723	KJASNGCXEDYUDC-BXUZGUMPSA-N	422.262	5.793	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	730988933	FKNWMTPPWCQXEL-AWEZNQCLSA-N	410.930	5.338	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1	731332752	RCNRESMABIGCNQ-WOLCWHLNSA-N	407.926	5.934	30	20	HKED	
CN(Cc1ccccc1)c1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1	733626059	CIHFLSUYUCJRTH-UHFFFAOYSA-N	414.509	5.650	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc(-c2ccncc2)cs1	734081172	GHBYNJYBOHFXID-KRWDZBQOSA-N	419.893	5.267	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc(-c2ccncc2)cs1	734081266	HSYZXLACSDWMAZ-IBGZPJMESA-N	409.470	5.523	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1	739842096	ZWOUBBXUYVLAGB-UHFFFAOYSA-N	412.324	5.054	30	20	HKED	
C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc2ccccc2s1	740062525	WLXHNURPBUFBFD-AWEZNQCLSA-N	418.547	5.457	30	20	HKED	
CCc1oc2ccccc2c1/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741843952	RUKRMCMDERBPBF-QXMHVHEDSA-N	422.424	5.227	30	20	HKED	
CC(=O)Nc1ccc(/C=C/C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc1	743055731	KIRDSCPHIOTLQB-BJMVGYQFSA-N	414.292	5.342	30	20	HKED	
C#CCCN1CCC(NC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1	743491378	GVRQWNIOSWZXEK-UHFFFAOYSA-N	417.336	5.003	30	20	HKED	
CCCN(CC)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1	744029913	WWPRLSWCEFCEAE-QFIPXVFZSA-N	405.542	5.009	30	20	HKED	
O=C(CCc1ncc(-c2ccccc2Br)o1)OCCC#Cc1ccccc1	744187600	UVKAVOKAGFKLOR-UHFFFAOYSA-N	424.294	5.022	30	20	HKED	
Cc1cc(O)nc(-c2cccc(OC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)n1	744217313	QHRAHNPFOIVQFE-UHFFFAOYSA-N	423.428	5.041	30	20	HKED	
C[C@H](ON=C1CCOc2ccccc21)c1nc(-c2cccc(C(F)(F)F)c2)no1	744445132	IQEDFXGNNNPOFA-LBPRGKRZSA-N	403.360	5.020	30	20	HKED	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744936169	NCPAVYYVIPCWCC-NHYWBVRUSA-N	418.852	5.385	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C#N	752237791	GKGFQJYKXPJASY-CQSZACIVSA-N	423.498	5.165	30	20	HKED	
CCCN(C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@@H](C)c1ccccc1OC	752303864	CLJRNRAJPPWNTD-INIZCTEOSA-N	424.501	5.140	30	20	HKED	
C/C(=C\c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	759214591	YVAAVBVKNACOCR-KUCQQTCKSA-N	407.684	5.398	30	20	HKED	
N#CCOc1cccc(CC(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c1	760402216	FGXNKKIROGRJLQ-UHFFFAOYSA-N	415.320	5.144	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccc(F)cc1OCC#N	760795743	HBCWKIFICYQUQC-GFCCVEGCSA-N	415.877	5.049	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cnn(Cc3ccccc3Cl)c2)S1	767887469	HVRRCABSPIKWBS-GRSHGNNSSA-N	422.941	5.093	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)c1ccccc1	773074903	IQYGIMKCBKYYAK-YJBOKZPZSA-N	409.498	5.050	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)cc1	776833826	WEBGBQUDHRRGKA-QZTJIDSGSA-N	424.932	5.387	30	20	HKED	
COc1cc2c(cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N)oc1ccccc12	780016357	JORMRACIYPTHFI-AWEZNQCLSA-N	401.422	5.529	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1cc(C#N)ccc1F	782325577	JSPVDTQSKWGANV-UHFFFAOYSA-N	404.319	5.037	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(C(F)(F)F)cc1	786870024	HTHNGALMMQLQHY-IIBYNOLFSA-N	417.475	5.593	30	20	HKED	
CSc1ccc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccncc2)c(Cl)c1	788355167	PLQGUIADUOPJAK-UTCJRWHESA-N	408.914	5.130	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1	789720014	SUJGHVRONQFSMD-UHFFFAOYSA-N	408.542	5.816	30	20	HKED	
C[C@H](Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F	794890771	BXZSGFFAAGSVOT-QMMMGPOBSA-N	410.289	5.024	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)[C@H]1OCCc2sccc21	796756453	MIHISJPTEHCGHJ-AJAPIDPKSA-N	402.928	5.138	30	20	HKED	
COc1cc(COC(=O)c2ncsc2C(C)C)ccc1OCc1cccc(C#N)c1	811269203	JCOIAGKFYOWDLJ-UHFFFAOYSA-N	422.506	5.083	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2nccc3ccccc23)cs1	811698753	LTHIWJVUNPAOAY-XFXZXTDPSA-N	413.502	5.580	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	812581840	OKMUPKIPJUNQIZ-SFHVURJKSA-N	415.534	5.019	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(C2SCCS2)cc1	861211706	KZFFJLGXVDQUCW-UHFFFAOYSA-N	402.544	5.212	30	20	HKED	
Cc1ccc(C(C)C)c(OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1	916853019	IYGSXAAPHQDHHL-UHFFFAOYSA-N	419.481	5.060	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916882993	DVWIYYZZAJDXBS-KRWDZBQOSA-N	420.506	5.140	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4nc(Cl)ccc4c3)s2)cc1	916958326	HZUGBKBTNYZKKO-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1nc2ccccc2s1	917572209	SDHVBRYLWDSXGC-UHFFFAOYSA-N	421.547	5.274	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cccc(OCC(F)(F)F)c2)cc1	918155197	DVPMXKIIOKDITN-IZZDOVSWSA-N	406.404	5.054	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1	920141605	FXUUAMHOSSXDKC-LJQANCHMSA-N	406.507	5.163	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)/C=C/Sc3ccc(C)cc3)cc2)CCC1	1789490247	PAFNRSCZPJXCAB-OBGWFSINSA-N	418.562	5.148	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2	1798591636	GMSOMLKOKCZVTB-REPLKXPHSA-N	414.590	5.130	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2)c1	10832418	DZCNTSLMSSHZIN-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2C)cc1	11168878	UUCGAIRCKHQNAO-UHFFFAOYSA-O	423.627	5.964	30	20	HKED	
C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C(C)C)nnc1-c1cccc(C)c1	11450627	OWNYFPMAFWLGLX-QFIPXVFZSA-N	420.582	5.045	30	20	HKED	
C=CCn1c(C)cc(C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1C	16457555	HJZGHFYGCIYKCH-UHFFFAOYSA-N	414.914	5.108	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(F)cc1F	22727305	UMYIIHZFDIHBLT-UHFFFAOYSA-O	417.526	5.236	30	20	HKED	
Cc1nc(-c2cccs2)sc1/C(O)=N/c1nc(CN2CCC[C@@H](C)C2)cs1	28677762	MFKAXTXFRATEJH-GFCCVEGCSA-N	418.613	5.505	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1	31434585	SZKUGZWDDSCSBB-SFHVURJKSA-N	423.516	5.525	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nc2ccccc2o1	41541238	WMRQQEMTAJHKGY-IBGZPJMESA-N	405.413	5.640	30	20	HKED	
CCC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	53665302	QTVUXROJUASSLT-UHFFFAOYSA-N	415.518	5.451	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccc(C)cc1	58415816	VZONGAWLUDEVCH-UHFFFAOYSA-N	415.493	5.340	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccoc1C	60384046	WLLYHHKNPONMRX-QGZVFWFLSA-N	424.570	5.584	30	20	HKED	
COc1cc(C(=O)N(CCC#N)Cc2ccco2)ccc1OCc1ccccc1Cl	60626031	WTLYKCWXMMNRBW-UHFFFAOYSA-N	424.884	5.077	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	78719921	GHSSNLATPIGWOK-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
C=CCn1c(SCc2ccc(Br)s2)nnc1-c1ccccc1OC	109264421	IZMRPBHVVSNXTI-UHFFFAOYSA-N	422.373	5.256	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)o1	143583076	LPLOOAQWOUFNBV-UHFFFAOYSA-N	413.481	5.037	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)[C@H]1CCCC(F)(F)C1	409968184	XJLVCZZDEGDCFT-CMPLNLGQSA-N	405.285	5.130	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(OCc2ccccn2)c1	426150572	RULFCNAOEPFSMT-OAHLLOKOSA-N	406.873	5.068	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccco1)c1ccccc1OC	426809163	TYHHMARVGNLZCP-HXUWFJFHSA-N	416.930	5.490	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCc1c(F)cc(F)c(F)c1F	430938083	ACUIETWBOLXARD-CQSZACIVSA-N	408.317	5.044	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1	432583687	IHFXCGFPQVXQNE-UHFFFAOYSA-N	416.569	6.066	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)c1ccccc1	432755843	VUKQGIUJJBVVKG-XMMPIXPASA-N	405.542	6.093	30	20	HKED	
N#CCCn1cc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c(-c2ccncc2)n1	434982797	NERLNBDNZZODNA-ISJGIBHGSA-N	411.553	5.017	30	20	HKED	
N#Cc1cccc(C2(c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)CC2)c1	435242776	NWCQJLGFTRGNDG-UHFFFAOYSA-N	417.472	5.086	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl	435490129	NIMVKXSDLCBWKD-JTQLQIEISA-N	419.330	5.328	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](CSc2ccccc2)C1	438051256	QKVMLSLECXILES-ZWKOTPCHSA-N	411.596	5.584	30	20	HKED	
N#CCC[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1	439659354	SUDOPOLXFWOIOP-SFHVURJKSA-N	423.925	5.429	30	20	HKED	
CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1	440066479	XQNKRWYZLLORDD-UHFFFAOYSA-N	400.265	5.116	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)o1	440606941	CMFIWRUUGHFDJJ-UHFFFAOYSA-N	424.460	5.410	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3CC(=O)c3ccccc3)c2)cc1	443823343	HVCSSFAGHUQTFM-DEOSSOPVSA-N	424.500	5.015	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c12	443874419	BTGGTVDOZAUIRW-UHFFFAOYSA-N	414.387	5.195	30	20	HKED	
N#Cc1ccc(/C=C\c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)cc1	445332975	JSCIYRJNQPKVKP-PFONDFGASA-N	422.444	5.085	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)n1	447381372	GUVJPDBSQBMBNL-PXNSSMCTSA-N	403.551	5.631	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(C(C)C)nc3ccccc23)c1C	448315954	LZQPXZVQSKRYRB-UHFFFAOYSA-N	409.493	5.285	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)CC2)cc1	463241403	FDADZFATRGFMCD-JKIUYZKVSA-N	413.487	5.077	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3)s2)nnc1-c1ccc(C)cc1	463791459	RJRNKYXCSBPSAL-UHFFFAOYSA-N	405.552	5.250	30	20	HKED	
CC(C)(C(=O)Nc1ccc(C#N)cc1Cl)c1csc(-c2cc(F)ccc2F)n1	464133309	RJPQZYRQMSPHNV-UHFFFAOYSA-N	417.868	5.530	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464411973	PPRDYUHSUZSGJE-LJQANCHMSA-N	421.378	5.041	30	20	HKED	
CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	464868589	FCWVXXBYKGXEBD-FUHWJXTLSA-N	414.958	5.750	30	20	HKED	
COc1ccc([C@@H](NC(=O)NCc2cccc(C#N)c2)c2ccccc2Cl)c(C)c1	465522473	SXONUGPDIDJWRY-HSZRJFAPSA-N	419.912	5.118	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1	467368920	ISIQLEAFQDWGKX-QFIPXVFZSA-N	417.465	5.459	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4ncccc4Cl)CC3)c2)cc1	469952058	DPJRSLAGSQOPDR-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470533452	UKZPDFCWFMVSBX-QFIPXVFZSA-N	416.525	5.099	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	470534366	ZXUXLCPVYOHRJZ-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccccc1OC(F)F	472324713	IFEQYNTUFAQDBM-AWEZNQCLSA-N	405.470	5.046	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1	472892744	VBZFHSRTZSETDS-UHFFFAOYSA-N	410.424	5.112	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)CC1(O)CCCC1	474604207	GMQDBYGPROJUTI-LJQANCHMSA-N	423.582	5.278	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1ccccc1	474794067	ZMBZRHXQRJDGAU-INIZCTEOSA-N	407.857	5.211	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	474902301	YDGZEEXINSBFNB-REWPJTCUSA-N	413.908	6.022	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2ccc(C3CC3)c(C)c2)nnc1-c1ccco1	478056099	XDFSZAIXSICECA-UHFFFAOYSA-N	408.527	5.031	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1cc(C#N)cs1	480333808	XJISXNVYAQKXPM-YBEGLDIGSA-N	401.516	5.311	30	20	HKED	
C=C(C)[C@H](N[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(F)c(F)c1	480665942	CMHVGNMITAAHNC-MWTRTKDXSA-N	419.537	5.649	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1	480835737	CKWCLYDTPWQIDK-GHTZIAJQSA-N	407.514	5.099	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccnn1C(C)C	481908187	SZYHJRLGFOTXTG-UHFFFAOYSA-N	423.542	5.055	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	482812688	NCNCHQKHYKEBSD-VGOFRKELSA-N	418.924	6.136	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	486669324	DLNOQWHMSSTWAX-MRXNPFEDSA-N	421.522	5.056	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H](c2ccccc2)c2ncc[nH]2)cc1	492444837	LXASLNLHALWDBX-XMMPIXPASA-N	422.488	5.244	30	20	HKED	
CCCCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccc(OC)cc1	494070814	CRHDOKGTGBKDCZ-OAQYLSRUSA-N	406.555	5.289	30	20	HKED	
C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496344911	LGRGZSBGVHVPHO-VXGBXAGGSA-N	408.449	5.029	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)c1ccc(Br)cc1	499375706	RPGZPPYDNDGDJO-KBPBESRZSA-N	403.345	5.443	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1	500342434	FDAOXJIUUHASTB-ZFWPHHPHSA-N	418.537	5.061	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1ccccc1Cl	504323874	FTDBDCDDLNKNOK-UHFFFAOYSA-N	405.885	5.624	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	505174383	DUBMKYDSXFDCTM-INIZCTEOSA-N	419.978	5.405	30	20	HKED	
COCc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)sc2cccc(F)c12	505928510	PDLWJFVMRCJCPV-OAHLLOKOSA-N	423.296	5.488	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1cc2ccccc2o1	508824048	GUFZNVLPNJFDOU-GMAHTHKFSA-N	414.509	5.092	30	20	HKED	
O=C(Cc1cccc(OC(F)(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509277004	QDIWBODVGVENTR-OAHLLOKOSA-N	409.301	5.077	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SC3CCCC3)CC2)cc1	509599760	JWRQBYFLPJJGIM-UHFFFAOYSA-N	421.566	5.668	30	20	HKED	
CCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1	510359128	RFYRMXIQIANRAR-UHFFFAOYSA-N	415.440	5.296	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1	513113971	VHRNQHUYRMLVHD-UHFFFAOYSA-N	411.468	5.369	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F	513496599	HNEIXDHZUKFISJ-QGZVFWFLSA-N	403.408	5.021	30	20	HKED	
CC(C)(COCC(F)F)c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1	514970409	YRHDGLBOGSJESO-UHFFFAOYSA-N	418.284	5.334	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Br)s1	515171342	ALMZOFWVLUEMCG-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1	516096260	HFKXSVLWXBUWSS-UHFFFAOYSA-N	402.376	5.033	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1	516257386	HWCFCXLQWIFKLW-HSZRJFAPSA-N	406.551	5.552	30	20	HKED	
N#CCCCOc1cccc(CNc2nc3c(Cl)cccc3n2CC(F)(F)F)c1	516636406	JVGFSILPIROLOD-UHFFFAOYSA-N	422.838	5.547	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1	517604923	YTTDPVTZYFCSBU-ZQIUZPCESA-N	424.125	5.240	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2)cc1	517654919	NJJPSTPMGPRMQK-SANMLTNESA-N	419.484	5.459	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3sc(CC)cc3C#N)c12	518656227	ZYEZDRQHCRMDGT-UHFFFAOYSA-N	406.467	5.183	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)cs3)n2)cc1	519317529	CTLVEYSOQBRYAN-CYBMUJFWSA-N	403.326	5.433	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(F)c1)c1nc2cc(Cl)ccc2s1	519317952	OXPRTMATFKMPGJ-SNVBAGLBSA-N	409.667	5.341	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	520711919	DYTGSENXTOLASS-WMZOPIPTSA-N	420.862	6.114	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1	521120051	GFIZTUSMNAEUNE-NBGIEHNGSA-N	417.553	5.874	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1	521245024	GROQIIGCBIVGHB-UHFFFAOYSA-N	404.376	5.417	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@H](CCC#N)c2ccccc2)CCC3)cc1	537946295	YETXIAPPGBOHTI-RTWAWAEBSA-N	403.551	5.831	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(F)cc1OCC(F)F	538049227	WOAZWZOZGKACRV-LBPRGKRZSA-N	409.433	5.508	30	20	HKED	
CCN(C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)c1ccc(C#N)c(Cl)c1	538072944	APINZAOPDQHWJL-UHFFFAOYSA-N	404.901	5.006	30	20	HKED	
Cc1ccc(C)c(Oc2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cn2)c1	538696506	QUHZPEVREWRPPM-UHFFFAOYSA-N	423.520	5.053	30	20	HKED	
CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)c(Cl)c1	540273188	CAGSQWRVUQKUPY-HZPDHXFCSA-N	408.807	5.267	30	20	HKED	
CC(C)c1csc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542049500	JNWRXUILZIQLQZ-INIZCTEOSA-N	404.539	5.366	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	543898403	ZTTMSCBETJWOEM-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C	544298428	UBKIRCHPNUDCEL-UHFFFAOYSA-N	406.461	5.282	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	544742003	NRENKKPOMZARON-GOSISDBHSA-N	408.567	6.017	30	20	HKED	
C=CCN(C(=O)c1coc(COC)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	547540501	NUTDXNPRGMGBPL-UHFFFAOYSA-N	424.309	5.084	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	557985409	LKTVQKWCBKCVLB-UHFFFAOYSA-N	401.850	5.100	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C	577544681	AEXIYVYOQLONAO-AZUAARDMSA-N	420.582	5.147	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2cc(F)cc(C#N)c2)cs1	578043255	WPBWXJXEPJTCFT-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCC(F)(F)c2ccccc2)cc1	578053351	LLDOUYZLYSUUTM-UHFFFAOYSA-N	421.447	5.245	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2sc3ccccc3c2Br)c1	589325068	RADHHBIVKPDFTD-UHFFFAOYSA-N	415.312	5.599	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)oc2c(F)cccc12	603991989	KUPSPRVDZVVJQZ-UHFFFAOYSA-N	402.450	5.831	30	20	HKED	
CC(C)COC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	604187844	DXFWMUYSPSRLGB-UHFFFAOYSA-N	408.567	5.128	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C)cs1	609206778	UGTKSAUPHRYOOX-AZUAARDMSA-N	424.957	6.033	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc2ccccc2c1	609384717	LBCMIBXSAJQHNI-ZWKOTPCHSA-N	403.551	5.381	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCC(c3ccccc3)c3ccccc3)cc2)nc1	609513988	MSHLCDUPGGISDQ-UHFFFAOYSA-N	419.484	5.307	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609658964	CFTPJRSEHSUPRR-UHFFFAOYSA-N	413.502	5.019	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cccs1)c1ccc2ccccc2n1	613291001	RCQVYJXMHFGICC-IBGZPJMESA-N	400.528	6.079	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	619427799	NTQODUWVIAXZIS-CAOSSQGBSA-N	406.370	5.100	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642409525	WZQINRMHWCKKGB-JZYVYDRUSA-N	420.300	5.319	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	669729487	VKHOUYYPXMAPDZ-MNOVXSKESA-N	416.337	5.352	30	20	HKED	
CN(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CCC(F)(F)CC1	672732440	HQZXUFYQECWGGQ-NXEZZACHSA-N	410.349	5.115	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)CC[C@H]1C(F)(F)F	683023629	CEXXLAHXGOIAHE-GFCCVEGCSA-N	418.328	5.783	30	20	HKED	
CCN(C[C@@H](C)C#N)Cn1nc(SCc2ccc(C(C)C)cc2)sc1=S	726962354	WGAOTSUCCZDYGH-HNNXBMFYSA-N	406.646	5.529	30	20	HKED	
COCCOc1ccc(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1OC	727266822	GYUHSSZHBGMWLL-QPJJXVBHSA-N	414.807	5.289	30	20	HKED	
CC(C)[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	728768400	FCLWKSWSXSZIHK-DLBZAZTESA-N	410.489	6.094	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(OCc3occc3C(=O)O)cc2)oc2ccccc12	730949045	QEGJXOCXUBRHNC-FLIBITNWSA-N	402.402	5.508	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H]3CCCc4ccccc43)n2)cc1	731137350	GFVGVENUKLCSGX-NQIIRXRSSA-N	402.519	5.505	30	20	HKED	
COc1ccc(CSc2nnc(SCc3ccc(OCC#N)cc3)s2)cc1	731156658	XWFZBLTUYHIDGM-UHFFFAOYSA-N	415.565	5.034	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	732497851	SBEHZENFNSXUAM-QGZVFWFLSA-N	414.461	5.421	30	20	HKED	
Fc1ccc(C(F)(F)F)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1	733202227	XWGXDFXBVKOKJI-UHFFFAOYSA-N	414.815	5.264	30	20	HKED	
O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1	733205259	OYYRNESDSXKKKF-UHFFFAOYSA-N	421.306	5.396	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2OCc2ccccc2C)c1	733775025	NQXGXJFRSBHBOE-QFIPXVFZSA-N	414.505	5.185	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccncc1	734657199	XGBFXGAILMSMMW-FDDCHVKYSA-N	414.509	5.012	30	20	HKED	
C=CC[C@@H](NC(=O)N(CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccncc1	734679987	LPAATIBZAIGEMH-OXJNMPFZSA-N	421.463	5.137	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)c1	741502879	OXUWHKMHKBBSLO-UHFFFAOYSA-N	414.574	5.951	30	20	HKED	
COc1cccc([C@@H](NC(=O)/C=C/c2ccccc2C#N)c2ccccc2Cl)c1	741605909	NJPIITQMYGXNSD-XIQMRYHBSA-N	402.881	5.139	30	20	HKED	
CC(=NOCc1ccc(Br)s1)c1nc2ccccc2n1C(F)F	742576150	YPTLUHFKCBLLIQ-UHFFFAOYSA-N	400.248	5.196	30	20	HKED	
N#Cc1ccccc1NC(=S)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	743036761	QMONEUZGHZLAKV-UHFFFAOYSA-N	418.469	5.187	30	20	HKED	
C[C@@H](ON=Cc1ccccc1Br)c1nc(-c2ccc(Cl)cc2)no1	744444104	QWJCKKJKTOHBHQ-LLVKDONJSA-N	406.667	5.264	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)Nc1ccccc1Oc1ccccc1	745694965	NIGKCUINEPFSOU-UHFFFAOYSA-N	415.562	6.206	30	20	HKED	
COc1ccc2cc(C(=O)/C=C\c3ccc(OC)c(OCCCC#N)c3)ccc2c1	747361859	ZERLVESGVFVMGY-WZUFQYTHSA-N	401.462	5.436	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N[C@H](CCC#N)c3ccccc3)ccc21	748593349	HVSYPXFIGLUMDI-HXUWFJFHSA-N	420.513	5.151	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cnccc2Oc2ccccc2)cc1OC	748639961	FWHMIJPAXPOXPA-BENRWUELSA-N	402.450	5.099	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NCc2cc(C#N)ccc2Br)c1	754884989	HZXYSZWORCGBBY-UHFFFAOYSA-N	402.292	5.137	30	20	HKED	
C=CCN(C(=O)c1cc(Cl)cs1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	757819896	TVUBWEMSGYOJGP-UHFFFAOYSA-N	405.888	5.266	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1	760792198	JQWZPHSXLQFAFH-NRFANRHFSA-N	410.445	5.339	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc(Br)ncc1F	762419725	BWWOOTYFZUUYCJ-FNORWQNLSA-N	417.190	5.048	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cs1	763290656	RSYLXLVJQUQCEI-MRUVXERFSA-N	418.493	5.667	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1	766238506	UKQSODHULDJHLW-DGCLKSJQSA-N	417.303	5.253	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1	766840857	KNDDCOCHQKQRMY-GYIHYUDTSA-N	414.427	5.068	30	20	HKED	
N#CCCCn1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c2ccccc21	774052221	LTICXVZEFKZWLQ-NRFANRHFSA-N	420.472	5.059	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1cc(F)cc(Br)c1	776959331	WZWKMHGBHCZKPI-WBMJQRKESA-N	420.282	5.152	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	779743424	XMDYZAMASZNVAM-AVRDEDQJSA-N	405.542	5.051	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)Nc1ccccc1O[C@@H](C)C#N	780154734	ZOJCOOCZRCPBAK-KRWDZBQOSA-N	402.450	5.421	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1	780158237	LJJNMPLGVVBLEO-AOMKIAJQSA-N	406.482	5.589	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCCCC(C)(C)C#N	781897736	PDDOBLKJIXMKMM-UHFFFAOYSA-N	406.482	5.510	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC[C@@H](C#N)Cc1ccccc1	782609017	VYUSQYRXQLSRHV-MRXNPFEDSA-N	414.383	5.208	30	20	HKED	
Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccsc1Cl	790155096	CWCBGIUUFDZNEB-UHFFFAOYSA-N	419.746	5.050	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1cnc2ccccc2n1	792099579	DQFXCGNHHXXEMI-CCCPALQASA-N	415.905	5.901	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=S)Nc1c(C(C)C)cccc1C(C)C	795132156	QIENKXCXLAUTMU-UHFFFAOYSA-N	400.588	5.794	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	796643472	MVLPTCYKULMHMW-BXKDBHETSA-N	401.265	5.729	30	20	HKED	
C=CC[C@@H](OC(=O)c1cc2c(nc1O)CCCC2=O)c1ccc(Cl)c(Cl)c1	797566704	REWFESHWRWFIMM-GOSISDBHSA-N	406.265	5.087	30	20	HKED	
N#Cc1sc(NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)nc1Cl	804505705	IJHDLZPKNYAEQC-UHFFFAOYSA-N	410.808	5.486	30	20	HKED	
CC(C)(O)c1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	806212701	YCWNDJYEERQRMM-OAQYLSRUSA-N	419.912	5.867	30	20	HKED	
COc1cccc(C(=O)/C(=C/C(C)=C/c2ccccc2OC(F)F)c2ncc[nH]2)c1	811689960	PZUQCFKSGQEDGG-JGEPBQDUSA-N	410.420	5.390	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3c(Cl)cccc3N3CCOCC3)c2)s1	815126166	UWRVMVPDFSLQCC-UHFFFAOYSA-N	423.969	5.067	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)/C=C/c1ccccc1C#N	913287130	UNKJTGFNTLMZTJ-WYMLVPIESA-N	424.928	5.312	30	20	HKED	
COc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC	916627839	ADKYGJPOLHYHJV-MJERTPDMSA-N	424.909	5.370	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)NCc1ccccc1	916885842	BTMDMHQWRUQVDW-XASXRRJKSA-N	420.921	5.107	30	20	HKED	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917026246	CTMSKBGCJSOITL-LIRRHRJNSA-N	421.547	5.126	30	20	HKED	
N#C[C@H](C(=O)Cc1cc2ccccc2o1)c1nc2cc(C(F)(F)F)ccc2s1	920112832	KZTJRCCWDDXRLT-CQSZACIVSA-N	400.381	5.480	30	20	HKED	
COc1cccc(C2CC(=O)C(=CNc3cccc(Nc4ccccc4)c3)C(=O)C2)c1	920978812	JGHPXUBYFSRDDK-UHFFFAOYSA-N	412.489	5.450	30	20	HKED	
C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1	1789257064	LPIKHSCQJVZYBE-GFCCVEGCSA-N	416.593	5.029	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)[C@@H](C)CC)C2	1798333028	PJEBQMDZDFBAKL-UZTPJAQSSA-N	422.613	5.223	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2C)CC1	1827803854	SBQLNIBBZKGZEH-RBBKRZOGSA-N	414.615	5.058	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1	1830598584	FYNSTZJWPDXGSF-RXVVDRJESA-N	416.993	5.094	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1	1832473955	IKANHUXYRCGYPO-JOCHJYFZSA-N	414.634	5.179	30	20	HKED	
N#Cc1ccc(CCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1	10236095	ODXAHXUBENHYPX-UHFFFAOYSA-N	409.942	5.160	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)cc1	22254079	LHXDEVLJKPQMLN-LJQANCHMSA-N	418.566	5.045	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(C#N)cc1	26133974	OCRMTRBYMUYKKX-CYBMUJFWSA-N	409.898	5.016	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccccc1C	39743054	NSFDQGRWBPUSRU-INIZCTEOSA-N	424.595	5.281	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)s2)cs1)c1ccc(F)cc1F	71807919	XAQMTVKHSRQRNF-FNORWQNLSA-N	404.463	5.372	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OC1CCCC1	195662647	IJPITOSLPKKXBK-SFHVURJKSA-N	419.506	5.025	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	301748926	LRSQIWPRKUPYJG-ZDUSSCGKSA-N	405.976	5.287	30	20	HKED	
C[C@H](Nc1ccc(C#N)c(N[C@H](C)c2nc3ccccc3[nH]2)n1)c1nc2ccccc2[nH]1	302859263	UEDOMYAZEKISFM-LSDHHAIUSA-N	422.496	5.052	30	20	HKED	
Cc1cccc(C(C)(C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	303864197	POVCCMQZGLFUGD-UHFFFAOYSA-N	412.493	5.176	30	20	HKED	
COc1cc(C)cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C	428069683	LBWWSQDZIVJKCL-UHFFFAOYSA-N	402.519	5.728	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)s1	430598663	DQNQUPFZAORGNO-GFCCVEGCSA-N	407.520	5.800	30	20	HKED	
C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431845829	QKCFQTXIJLLLMW-JXFKEZNVSA-N	414.347	5.114	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(F)ccc1Cl	437911732	AJXHHNYOJXLUOR-CYBMUJFWSA-N	408.951	5.603	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	438049274	MGARDPTWYQGNPL-KDOFPFPSSA-N	403.935	5.243	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1	438476058	DVWAHVKOZSZNGM-UHFFFAOYSA-N	420.469	5.593	30	20	HKED	
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1Cl	439432676	VAGKWFDOCMOMNF-UHFFFAOYSA-N	409.839	5.080	30	20	HKED	
CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	442742205	XCVLEKXDNUTQPL-PNGKTBNWSA-N	407.480	5.313	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	443900554	WKHMVOYZKSDQCR-NSHDSACASA-N	409.389	5.118	30	20	HKED	
Fc1ccc2nc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)oc2c1	444736758	RDWUUGKWCZWNHQ-CQSZACIVSA-N	406.301	5.769	30	20	HKED	
COCCN(C(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(C#N)cc1	460362447	YIJZIUNDWVYZCU-UHFFFAOYSA-N	405.306	5.373	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1)c1ccccc1	460387714	QBDAYLSSBOMRHV-IAGOWNOFSA-N	422.451	5.119	30	20	HKED	
C[C@H](C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cccc(C#N)c1	462029326	SUUVLNUJJNGFQC-IFXJQAMLSA-N	405.498	5.118	30	20	HKED	
C=CCOCCCC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C	463339409	HQJPINVGRUJTMH-PXNSSMCTSA-N	422.956	5.839	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(CC(F)(F)F)c3)cc2)cc1	464418788	CNOIMHDVZZAUCJ-UHFFFAOYSA-N	410.395	5.902	30	20	HKED	
COc1ccccc1[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1Cl	466074091	DQBCNZXAYBMVIP-JOCHJYFZSA-N	405.885	5.326	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	466198178	SRTMMVWHEZREFD-UHFFFAOYSA-N	405.273	5.057	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1	466678448	SOMDBSRSZNMUFT-AWEZNQCLSA-N	401.429	5.150	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2nccnc2cc1F	470890005	URWLYSRAUQUUNF-UHFFFAOYSA-N	420.391	5.046	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccc(F)cc2)on1	474157115	ABLGPNLOSPZPKV-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	474897868	UXDDRYMRVHBOIW-UHFFFAOYSA-N	412.493	5.693	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](c1cccs1)C(C)(C)C	476363069	HBJSMDXXLVPUCB-QRWLVFNGSA-N	401.601	5.315	30	20	HKED	
N#Cc1ccc(C[S@@](=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	476906200	YOULOKIGMXMTMF-HHHXNRCGSA-N	406.454	5.149	30	20	HKED	
CC(=O)Nc1sc(NCc2cccc(OCCCC#N)c2)nc1-c1ccccc1	478631464	IBWMIDMCJJJWLH-UHFFFAOYSA-N	406.511	5.063	30	20	HKED	
C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Oc2ccc(C#N)cc2)CC1	481756575	OEEVURWZIIDUPT-INIZCTEOSA-N	407.901	5.471	30	20	HKED	
Cc1c([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)oc2ccccc12	481836832	IKBITAVKXCYURR-MRXNPFEDSA-N	400.434	5.276	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1	483440672	MTSASYFJAIOMSR-GFCCVEGCSA-N	423.881	5.412	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1	487621820	XFIMWJCGJCDCQG-HXUWFJFHSA-N	422.916	5.264	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccccc1C	488924613	ZNGQAOMSWIOINY-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccccc1	489007456	GOSDEUFFSOPLFC-GIGWZHCTSA-N	409.595	5.957	30	20	HKED	
CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2	492111667	VNBUYBCNWSVSPM-ZPHPHTNESA-N	411.505	5.106	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	499441821	HAUKMLXKODJVLI-INIZCTEOSA-N	412.114	5.070	30	20	HKED	
COCc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	500806469	OJALDPLFCMZFIS-QFIPXVFZSA-N	419.912	5.464	30	20	HKED	
C=CCN(C(=O)c1ccnc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	502857040	PFSOESZWBLOFNI-UHFFFAOYSA-N	416.462	5.099	30	20	HKED	
N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2	505086000	DGBFFBDYBXAVKN-FBMGVBCBSA-N	415.924	5.799	30	20	HKED	
COC(=O)c1sc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1C	507065542	SKRMRJUFMHCXMG-UHFFFAOYSA-N	408.504	5.118	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Br)cc1	508386101	FSNMCTDDENATLF-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2cccs2)C2CC2)cc1	511389799	FTODJYPPUNNMOP-QHCPKHFHSA-N	417.534	5.666	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1	518207452	LERVYIXLJKLRMQ-NRFANRHFSA-N	421.541	5.094	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2SCCC#N)c(Br)c1	518649775	QWDOVRMJLGTUEN-CQSZACIVSA-N	419.344	5.169	30	20	HKED	
C=CCN(C(=O)c1cc(Br)cs1)c1nc(-c2ccccc2)cs1	520014932	LOJBRNBSGVDVEQ-UHFFFAOYSA-N	405.342	5.467	30	20	HKED	
Cc1nc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)oc1-c1ccccc1	521668331	RQFXOMKKNBSKKH-AWEZNQCLSA-N	405.523	5.279	30	20	HKED	
COc1cc(C)c([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	523588020	MWVCUNVBVVAIJC-HZPDHXFCSA-N	413.543	5.289	30	20	HKED	
CCc1cccc2c(CC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c[nH]c12	524623214	HEBZPZCNAVWLNI-UHFFFAOYSA-N	409.489	5.362	30	20	HKED	
C=C(C)COc1cc(CNCc2cccc(NC(=O)c3ccccc3)c2)ccc1OC	532857670	PLHYYOPBTVAVSD-UHFFFAOYSA-N	416.521	5.192	30	20	HKED	
N#C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ccc(OCc2ccccc2)cc1	535065102	ZSEGDRCUQPPWEB-WOTLGKHYSA-N	418.512	5.255	30	20	HKED	
CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1	535674468	FOYXCXAJBQXGFU-KDOFPFPSSA-N	422.920	5.120	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2Cl)nnc1-c1ccc(C)cc1	535991258	VYIYDVDVSHAHPV-UHFFFAOYSA-N	412.946	5.132	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1SC[C@H](C)C#N	538123854	BOMSLDPJYCKYKG-MSOLQXFVSA-N	411.571	5.015	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1	542135352	OKBQSBLNBOWVIA-IVZQSRNASA-N	413.974	5.271	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)c2ncccc2Br)cc1	542246040	COEHBHXZUZBKFO-UHFFFAOYSA-N	422.282	5.093	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1	543351642	MINCVASEPRRPDJ-JOCHJYFZSA-N	407.514	5.076	30	20	HKED	
C[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543863190	NOAHVHBACDMFOT-SSOJOUAXSA-N	413.496	5.035	30	20	HKED	
C=CCOc1ccc(/C=C/c2nc([C@H](OC)c3ccccc3Cl)no2)cc1OC	546521463	SWIUEWWAKQFXQG-XMZCSZCVSA-N	412.873	5.203	30	20	HKED	
C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCOC2)CC1	549661023	SOGAEZWKJSMVDZ-OAHLLOKOSA-N	414.962	5.006	30	20	HKED	
C=CCOc1c(Br)cc(CNc2ccc([C@H]3CCOC3)cc2)cc1OC	549908927	PRJZWZVCUORBAH-KRWDZBQOSA-N	418.331	5.139	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCCCC2)cc1	553404164	QJSJUGCSEJRLPP-LJQANCHMSA-N	422.598	5.246	30	20	HKED	
C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(OC2CCCC2)CC1	554610677	YXHKFWQWXUHIGN-UHFFFAOYSA-N	402.542	5.212	30	20	HKED	
COc1c(C)cc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl	560552914	WAYOVVLMIWIUOE-INIZCTEOSA-N	411.933	5.413	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc2ccccc2[nH]1	561206594	UVXALEHAPVSCLF-QRWLVFNGSA-N	407.543	5.333	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1	564249849	BRGZATISOGPYJD-OAHLLOKOSA-N	403.429	5.181	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)cc1	565627607	WDGLSFVYUAKRIK-JOCHJYFZSA-N	424.504	5.019	30	20	HKED	
O=C(N[C@@H]1CC[C@@H](F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	576304777	CEOZNBLLKOBNOX-JJMJPCFWSA-N	415.393	5.116	30	20	HKED	
CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(I)cc1	590256876	CPUYRIFQASKTSW-UXHICEINSA-N	418.322	5.767	30	20	HKED	
COc1cc(C(C)=O)ccc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N	596012132	HIAIFWDNCGWNEB-AWEZNQCLSA-N	414.552	5.023	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	603648248	DEEYHQULISUPFW-SFHVURJKSA-N	408.552	5.208	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccccc3)cn2)c1	603829165	LNULMPKEBZYPQG-QHCPKHFHSA-N	412.493	5.895	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)s1	604027892	ZLTXXGHIJFDUBQ-UHFFFAOYSA-N	402.475	5.760	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(COc2ccccc2Cl)n1C1CC1	604045907	JGDVKFSICSASBY-QGZVFWFLSA-N	410.930	5.072	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	604400818	SUAMDGLCTNBPEF-QFIPXVFZSA-N	423.969	5.984	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209657	HFRDOHNZKIVLJW-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1	609428582	QBYJOWCJESIUII-CQSZACIVSA-N	411.527	5.520	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1	609435045	MSSJGULVKDEMGU-HUUCEWRRSA-N	421.488	6.325	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1	609435170	VPZNTJJSUGXAAS-CQSZACIVSA-N	418.360	5.507	30	20	HKED	
N#C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1	609462436	JQTMJWPCFJGFDM-QFIPXVFZSA-N	408.423	5.608	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc(-c2c(F)cccc2F)cs1	609959867	XIPKSJMNHUYXAN-LBPRGKRZSA-N	419.796	5.140	30	20	HKED	
CC[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(OC)cc1	609961693	GZXNJDOVHODYAE-NRFANRHFSA-N	403.507	5.138	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1	611357615	OXRDEIQBJFZIBI-RBUKOAKNSA-N	405.498	5.021	30	20	HKED	
CSc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346321	GVMCVDRFHHIHLT-CQSZACIVSA-N	419.358	6.329	30	20	HKED	
CCSc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613403169	BXGNRPWKRHMTNK-ZDUSSCGKSA-N	406.454	5.917	30	20	HKED	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H](C)c1cccc(C#N)c1	619438009	DCAWAEJJVZHFSA-CYBMUJFWSA-N	424.298	5.029	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)CC1	619713352	LQTOHXKBBUOJNF-UHFFFAOYSA-N	416.333	5.301	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)NCc1ccc(C#N)c(Cl)c1	619768572	ANQDSCWLNRHVMV-OAHLLOKOSA-N	424.957	5.546	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1	672681285	GTAPQNYANWHXRK-INIZCTEOSA-N	408.468	5.332	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)nn1-c1ccc(Cl)cc1Cl	678970790	XQLVZMBJNWVMPP-INIZCTEOSA-N	421.287	5.526	30	20	HKED	
N#C[C@@H](C(=O)c1cccc2c1CC(=O)CC2)c1nc(-c2ccc(Cl)cc2)cs1	685784656	VKFJHDOEMKQORZ-IBGZPJMESA-N	406.894	5.011	30	20	HKED	
N#CCCCOc1cccc(NC(=S)NCCc2ccc(Cl)cc2Cl)c1	726468106	ALTTVRRFDJNUSN-UHFFFAOYSA-N	408.354	5.205	30	20	HKED	
N#CCOc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1	729241268	SPNLKXNLHQOMON-UHFFFAOYSA-N	416.481	5.268	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F	730689790	MEWOHOKWESOEOW-HZSPNIEDSA-N	420.246	5.718	30	20	HKED	
N#C[C@@H](C(=O)CN1CCc2ccccc2[C@@H]1c1ccccc1)c1nc2ccccc2s1	731033053	MPIONKDAYVUZFF-OFVILXPXSA-N	423.541	5.120	30	20	HKED	
CC(=NNc1ncnc2c1oc1ccccc12)c1cnn(-c2cccc(Cl)c2)c1C	731559022	QEXPKWWFFVLPGL-UHFFFAOYSA-N	416.872	5.360	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(N(C)c3ccccc3)cc2)ccc1OC	733329277	BNEYMMOOEBAHEV-XMMPIXPASA-N	415.537	5.434	30	20	HKED	
CC(=O)N(c1nc(/C=C2\Cc3cc(F)ccc3C2=O)cs1)c1ccc(F)cc1F	734308322	YBYXIYOAVFUMIE-MDWZMJQESA-N	414.408	5.067	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1)c1ccncc1	734654532	AJLHSEDCXHHXET-GGAORHGYSA-N	405.567	5.973	30	20	HKED	
COc1cc(COc2ccc(C=O)cc2Cl)ccc1OCc1cccc(C#N)c1	734982792	NLKRZSJVUKWDOS-UHFFFAOYSA-N	407.853	5.191	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)s1	740781327	WADRJXMEGIEGHY-UHFFFAOYSA-N	405.907	5.435	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@H]2c2cccc(C)c2C)c1=S	743389270	VDQSLBWOFPFLHP-QFIPXVFZSA-N	419.598	5.464	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1F	744371480	SHSUVRZDUHIUNS-UHFFFAOYSA-N	423.366	5.315	30	20	HKED	
CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(C(F)(F)F)cc2)cc1	744805766	BLTGXKWYCPLTRV-UHFFFAOYSA-N	420.460	5.170	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1OC(F)F	746000014	VZTCZYVQTATMTJ-CLFYSBASSA-N	415.348	5.361	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	747109594	XYDLFEXZOMXCBH-QGZVFWFLSA-N	419.308	5.117	30	20	HKED	
CCOC(=O)Nc1ccc2c(CS[C@@H](C)c3ccc(C#N)cc3)cc(=O)oc2c1	749184368	FIDPAGLMJALIFV-AWEZNQCLSA-N	408.479	5.227	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)s1)c1ccncc1	753187956	DMBXZPMELUNYJU-GJZGRUSLSA-N	406.349	5.070	30	20	HKED	
CC(=NNc1ccc(-n2ccnc2)nn1)c1ccc(-c2ccc(Cl)cc2F)s1	761836165	OJUIQARYGDXPDM-UHFFFAOYSA-N	412.881	5.019	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	766638346	VNGOKITUSWFIOQ-YGRLFVJLSA-N	403.276	5.178	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(N3CCc4sccc4C3)cc2)c1	770551606	VSWYNQOYDRNCRF-UHFFFAOYSA-N	403.551	5.605	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCc4c(Cl)cccc43)n2)cc1	776084657	SECYZAVMQWWDGT-ZWKOTPCHSA-N	408.910	5.378	30	20	HKED	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1N[C@H](C)c1ccc(OCC#N)cc1	777630912	UCAOFXJSSQLIQM-WSTZPKSXSA-N	405.542	5.189	30	20	HKED	
COc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1OCc1cn2ccccc2n1	777648855	UZDDLUSLGBZCRF-QHCPKHFHSA-N	424.504	5.283	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2ccc(OC)cc2)ccc1OC	779102237	SLLORFSELGYTFC-GJZUVCINSA-N	416.521	5.264	30	20	HKED	
Cn1cc(CNc2ccc(OCc3ccccc3F)cc2)c(-c2ccc(C#N)cc2)n1	779592895	JLCQJDALLFYYAN-UHFFFAOYSA-N	412.468	5.289	30	20	HKED	
C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1	779713405	SLMBBMBLEKYZHQ-QZTJIDSGSA-N	401.466	5.209	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)s2)o1	781766568	UFEHGZBUQHVFKN-QGZVFWFLSA-N	400.459	5.431	30	20	HKED	
C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	782485858	NFIVJDOEUCLNTD-KAUXGEHWSA-N	404.473	5.059	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1ccc(Br)cc1C(F)(F)F	793062561	IJKWMEHEOLBNEP-UHFFFAOYSA-N	403.173	5.121	30	20	HKED	
CC(C)(CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)C1CCCCC1	796627409	AUDASQHGAFLSAC-INIZCTEOSA-N	411.571	5.449	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	796671583	LGBFDPBJABGYRX-WMZHIEFXSA-N	412.489	5.631	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1ccccn1)c1csc(-c2c(Cl)cccc2Cl)n1	796783623	RGBSUZPPFLVBCB-GFCCVEGCSA-N	416.333	5.666	30	20	HKED	
C#C[C@H](NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1	811859728	ZDQYSKRDHWLWNW-HXOBKFHXSA-N	419.912	5.049	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1cc(C(F)(F)F)ccn1	813218372	VGHUHAPNPFOQLK-OLHLWXQYSA-N	400.400	5.311	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3oc(CC(C)C)nc3C#N)s2)cc1	814821157	VCMIUGSWGQZPTP-UHFFFAOYSA-N	409.515	5.021	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1	915087810	XOFPFUSJFNLHEH-UGKGYDQZSA-N	402.881	5.185	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)c2c1	915101159	PSSVIHQJVDGZHJ-OAQYLSRUSA-N	421.504	5.018	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2c(Cl)c3ccccc3n2C)cc1	916915873	QVCPENXJDNYCLE-SFHVURJKSA-N	407.901	5.135	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995262	DEODWLZUQQGBGE-QLTUCANCSA-N	405.331	6.068	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)c1	917600404	RDIKOPURDHSNLU-UHFFFAOYSA-N	407.926	6.430	30	20	HKED	
CSCc1c(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)oc2ccccc12	920102366	SFFJAEUMYFHKTL-MRXNPFEDSA-N	402.475	5.291	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccccc2F)c1	11171003	UIGZWIJIBKCVDK-UHFFFAOYSA-O	407.534	5.596	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccccc2)c1	14872269	HKVCQCVHSXKZQA-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncnc3sc(C)c(C)c23)c1	23406333	UYXOHOQGCGUHBN-KRWDZBQOSA-N	424.595	5.352	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)NC(C)C)c3)n2)cc1	41511067	LZFIPVFAVMCZCW-LJQANCHMSA-N	418.522	5.139	30	20	HKED	
C[C@H](Nc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl)c1ccc(C#N)cc1	51964514	PAOSBABTYZFIOX-NSHDSACASA-N	419.699	5.237	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1	62383484	KHQZYZDCKYFDGH-UHFFFAOYSA-N	405.523	5.263	30	20	HKED	
CC(C)c1cccc(OCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	108373329	FQHPTUKFNMHLAY-UHFFFAOYSA-N	414.505	5.473	30	20	HKED	
C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(Cl)cc1	108418656	MNASMAUEXOMBOV-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
Fc1ccc(C(F)(F)F)cc1CNC1CCN(c2ccc(C(F)(F)F)cn2)CC1	237734673	XYSJAEJZHAQZLS-UHFFFAOYSA-N	421.360	5.017	30	20	HKED	
C=CCn1c(Sc2ccc([N+](=O)[O-])c3cnccc23)nnc1-c1cccc(C)c1	301067232	CSDDOERZQFIUJA-UHFFFAOYSA-N	403.467	5.047	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21	303403851	RUNKVZIKBOPMFL-VGSWGCGISA-N	405.567	5.029	30	20	HKED	
C=CCN(C(=O)c1ccc(F)c(Br)c1)c1nc(-c2ccccc2)cs1	327682937	OVTWPDGIVFWJGQ-UHFFFAOYSA-N	417.303	5.545	30	20	HKED	
Cc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c(OCC(F)(F)F)c1	431299504	WSTYCANYTYWARN-LJQANCHMSA-N	419.447	5.171	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(CCN2CCCCC2)cc1)c1ccccc1	432904968	JDXOFNFUUDUQIJ-XMMPIXPASA-N	404.558	5.272	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)cc1	433882650	ZJGVZZRKGVHMOF-NRFANRHFSA-N	423.944	5.127	30	20	HKED	
C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1(C)C	436097520	CENTXSNVVISNOH-CDHQVMDDSA-N	408.929	5.575	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1(C)C	436097522	CENTXSNVVISNOH-XPGWFJOJSA-N	408.929	5.575	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)CCC(=O)Nc2cccc(C#N)c2)cc1	444225898	NPWOTHKONAUBJV-LJQANCHMSA-N	413.521	5.255	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C	444610503	OYZBBHSXLOEKMA-UHFFFAOYSA-N	402.519	5.728	30	20	HKED	
C[C@@H](NCCCCC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)cs1	444684170	IKOHOZGJIIESID-CQSZACIVSA-N	406.393	5.943	30	20	HKED	
COc1cc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C	446359799	MHYXMBZTVGEODQ-UHFFFAOYSA-N	417.484	5.557	30	20	HKED	
C=CCn1c(SCCCCCn2c(C)nc3ccccc32)nnc1-c1ccncc1	460858014	IYCVCACYZOTAAP-UHFFFAOYSA-N	418.570	5.147	30	20	HKED	
CCO[C@H](c1noc([C@@H](C)c2cccc(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	463044845	PWAROJFXLGSABE-SGTLLEGYSA-N	419.378	5.377	30	20	HKED	
Cn1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C2CC2)n1	463494071	ZXFFOQKQIXPLMP-SFHVURJKSA-N	405.889	5.250	30	20	HKED	
Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1	464042030	ANFZYXQMDMWUDX-DHIUTWEWSA-N	414.505	5.447	30	20	HKED	
N#Cc1cc(NC(=O)CCc2cscn2)ccc1Oc1ccc(C(F)(F)F)cc1	464298881	WRXAFMRIYBOMNL-UHFFFAOYSA-N	417.412	5.397	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1cc(C(F)(F)F)ccn1	464423675	DTFKNINPUXMPNK-SFHVURJKSA-N	415.415	5.109	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2cc3ccccc3o2)cc1C	465463333	UUOBRQQAOLWZPA-UHFFFAOYSA-N	412.493	5.099	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1	470060763	ZPINCGIJGSKXGS-XZOQPEGZSA-N	415.497	5.161	30	20	HKED	
CCn1c(S[C@@H](C)CCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12	470452573	PPRCTBXVVPPTFS-KRWDZBQOSA-N	413.550	5.965	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1Cl	471205513	VGDKTDIOTKNCDL-YLJYHZDGSA-N	421.888	5.214	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1	474478683	ASTYBLGADGADSM-NRFANRHFSA-N	403.461	5.155	30	20	HKED	
CCc1cnc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	474905169	FWHIAZYHLYAJLQ-UHFFFAOYSA-N	407.564	5.142	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	476116385	BKBFKRXUCAIXQQ-UHFFFAOYSA-N	424.500	5.591	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1nc(C)c(C)s1	478566468	FQBUKAJHRGJQTA-UHFFFAOYSA-N	406.511	5.097	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1Br	478739685	LMERGHNWKCNWMS-QAPCUYQASA-N	418.722	5.406	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(F)c3)o2)nnc1-c1ccccc1C	481391604	QKPPKRBWHCRBLZ-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C(F)(F)F)ccc2C#N)c(Cl)c1	488787947	RVWAKOVXEVRUAL-NSHDSACASA-N	413.852	5.362	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H](c1ccccc1)c1ncc[nH]1	492995951	UPOQOSJHPFZPSJ-HSZRJFAPSA-N	424.529	5.294	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(Cl)c1	493920797	ROCFTRZQVPVLQG-CQSZACIVSA-N	419.737	5.238	30	20	HKED	
Cc1cscc1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496375927	ITGPNMQBDBFNKL-UHFFFAOYSA-N	422.457	5.638	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](c3ccccc3F)C2)cc1	500096221	HUEPCGYRBXJYSN-HXUWFJFHSA-N	416.521	5.619	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1	502401952	WEUJCKMNBZEZMP-QGZVFWFLSA-N	422.495	5.374	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503458854	HDYRFQYHMMOXPP-KRWDZBQOSA-N	402.523	5.131	30	20	HKED	
C=CCOc1ccc(C(=O)c2ccccc2)c(OCc2csc([C@H](C)OC)n2)c1	506673203	FYYYOVHMFLHWEO-INIZCTEOSA-N	409.507	5.225	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3SCCC#N)c2c1	507711261	XZERINZVEDRECV-UHFFFAOYSA-N	403.507	5.379	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(F)cc1Cl	510209098	NTVLVMNYUDYAHN-ZDUSSCGKSA-N	411.889	5.532	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)c2ccccc21	513231241	TWQACGDLLOFKEX-HSZRJFAPSA-N	409.892	5.309	30	20	HKED	
C=CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514301797	ULSBDNONKDUNPY-MRXNPFEDSA-N	423.494	5.013	30	20	HKED	
CCOc1ccccc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N	518147405	MSYOPLMGZZRMLF-INIZCTEOSA-N	400.569	5.351	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCSc1ccc(F)cc1	518751965	BPJCXSGSTBXTDA-HNNXBMFYSA-N	403.548	5.524	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	518849295	ZBFRBMYWWJZGMM-UXLLHSPISA-N	413.226	5.497	30	20	HKED	
Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(C#Cc3ccccc3)cc2)n1	520421664	ZYOGJOSUOILSGJ-UHFFFAOYSA-N	400.425	5.060	30	20	HKED	
CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	520924183	MQURNGNSLJRDOW-QGZVFWFLSA-N	409.555	5.205	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1c(F)cccc1Cl	521731378	VHUFGNRUHYLSHN-ZDUSSCGKSA-N	408.951	5.603	30	20	HKED	
N#Cc1cc(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)ccc1OCC(F)(F)F	522431955	VMQXIRKKQXDXFP-UHFFFAOYSA-N	421.394	5.083	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCCC[C@@H]3c3ncc(-c4cccc(F)c4)[nH]3)cc2)CC1	530564252	YUUOXIMRHUMWCQ-JOCHJYFZSA-N	414.484	5.138	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccc(F)cc2)CCCC1	533051368	GMGOGPXDENKUNP-KRWDZBQOSA-N	411.546	5.075	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C1CC1	533597642	ZCRFMMHLJAIKSC-ZDUSSCGKSA-N	404.392	5.049	30	20	HKED	
COc1ccc([C@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1	537293886	KOWAOZSVVFRYJH-VOIUYBSRSA-N	406.913	5.669	30	20	HKED	
C=CCN(C(=O)[C@H]1CCO[C@@H](C)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	537348943	GAFSXXRHPLAVBD-AVRDEDQJSA-N	418.562	5.811	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1	540098387	AWPWEDHHMNWZEC-HNNXBMFYSA-N	423.398	5.079	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(F)cc1	542021254	ASKVLXCBVLRIFJ-INIZCTEOSA-N	404.470	5.064	30	20	HKED	
N#Cc1ccc(CN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)C2CC2)cc1	542296411	HQRQTOWZBHOKAA-OTXOEQGISA-N	402.460	5.198	30	20	HKED	
CC(=O)N1CCc2c(sc3nc(-c4ccc(C#N)cc4)cc(-c4ccc(C)cc4)c23)C1	542514125	WDSDSLPHFGYNNJ-UHFFFAOYSA-N	423.541	5.715	30	20	HKED	
N#CCC1CCN(C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1	542908563	OIQKGRYKPGPSSQ-UHFFFAOYSA-N	413.477	5.432	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(-c2cccc(C#N)c2)cc1	542923293	CYMDUSFJSZLRLI-SFHVURJKSA-N	424.504	5.235	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C	544316145	UTKWIOROFGTGGD-UHFFFAOYSA-N	402.498	5.185	30	20	HKED	
CO[C@@H](c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1)c1ccccc1Cl	545107642	YYZZOLXIMGKKPX-HXUWFJFHSA-N	421.840	5.169	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](CCCC#N)c1ccccc1	550830964	NZIAZCFLLNFVIH-UZLBHIALSA-N	414.347	5.191	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)n1	552172634	KOWZQZZEEZGRBB-VIFPVBQESA-N	417.815	5.192	30	20	HKED	
Fc1cc(C(F)(F)F)c(F)cc1CN[C@@H]1CCCc2ncc(C(F)(F)F)cc21	554088332	MYDHKEZLQJRIJQ-OAHLLOKOSA-N	410.308	5.565	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1	554962476	UGDWEIXOEAPOLO-SCLBCKFNSA-N	403.309	5.317	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)n(C2CCCC2)c1C	558176927	UQWVWKCPBKEOKX-CALCHBBNSA-N	424.511	5.083	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cnc1C(F)(F)F	560148990	NMHPMLAYGWKXAW-UHFFFAOYSA-N	413.403	5.148	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	588994186	JQMLMGMZXMOAAV-GOSISDBHSA-N	421.419	5.123	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3CCCC[C@@H]3C(F)(F)F)cc2)ccn1	589363664	SBLLXKWWJLPHMA-LIRRHRJNSA-N	418.419	5.236	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cl)o2)cc1Cl	603747910	ZLIUOGLSBKZKAP-QGZVFWFLSA-N	400.265	5.564	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)c2)c1	603756757	KGFDDEUCETWFDZ-ROUUACIJSA-N	402.416	5.444	30	20	HKED	
Cc1nnc(Sc2ccc(NC(=O)c3cc4ccccc4n3CC#N)c(C)c2)s1	609169359	SHZSGTXHGIUABH-UHFFFAOYSA-N	419.535	5.037	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	609213496	PWUMSXVIYKPWIR-FQEVSTJZSA-N	420.513	5.040	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1	609378775	QPMRGVBQVSCILX-UHFFFAOYSA-N	413.955	5.650	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc2ccccc12	609436397	NATFLJFVKZADKN-SJORKVTESA-N	417.534	5.050	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	609570824	NRHZQDKLJGSPMP-NXEZZACHSA-N	423.307	5.706	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(Cl)cccc2s1)c1ccc(Br)cc1	609588735	FFZYCIHYTKOFJJ-AWEZNQCLSA-N	405.704	5.312	30	20	HKED	
CC(C)c1ccc(SCC(=O)N[C@@H](C#N)c2ccccc2Br)cc1	609593165	QHJWOMCWUDWFRT-SFHVURJKSA-N	403.345	5.046	30	20	HKED	
CC(C)c1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)on1	609626517	HFPCCOKZNGCGJG-UHFFFAOYSA-N	410.861	5.437	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H]1OCCc2ccccc21	609644113	WXLKEMWPBZALCW-VWLOTQADSA-N	412.489	5.088	30	20	HKED	
N#CCN(C(=O)c1oc2ccccc2c1COc1ccccc1Cl)C1CCCC1	609976748	PWBCZCGTBZNVGX-UHFFFAOYSA-N	408.885	5.574	30	20	HKED	
CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1S[C@H](C)CC#N	610674406	LIBFBKTVMBYDEV-MJGOQNOKSA-N	408.571	5.343	30	20	HKED	
N#Cc1ccc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)s1	611271533	PRISZYOVFSUSGX-HSZRJFAPSA-N	422.598	5.308	30	20	HKED	
C[C@H](Cc1nnc(SCc2ccc(C#N)cc2Br)o1)c1ccccc1	611491460	PNLWVOIXOHDXIV-CYBMUJFWSA-N	414.328	5.342	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(OCCC)c(OC)c1	615676002	YBKAUYFFGHXCGQ-KRWDZBQOSA-N	400.494	5.082	30	20	HKED	
O=C(NC1CC(C(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1	622602206	XUCVPFYCKBRWQZ-UHFFFAOYSA-N	405.313	5.582	30	20	HKED	
Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)cc1F	672777175	KKXDBBBGDRDHIB-RKDXNWHRSA-N	406.729	5.382	30	20	HKED	
O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(C(F)F)cc1	678331775	FQNGWRLRJSVOJO-UHFFFAOYSA-N	405.273	5.407	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1cccc(Cl)c1	679092774	SMVSQQMZJRVXQX-OAHLLOKOSA-N	410.861	5.073	30	20	HKED	
CC(C)[C@@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	727233107	FXTLYZWCVKDGMI-DNVCBOLYSA-N	400.956	5.943	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4ccccc4)CC3)cn2)cc1	727589237	PBPRZUNBVHWCKL-NRFANRHFSA-N	412.493	5.547	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1Cl	727627865	MVXFHCOXLHAPFU-YBHKSSGVSA-N	420.868	5.406	30	20	HKED	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727727846	KMYMKJNDRJWEII-BWKNWUBXSA-N	421.541	5.364	30	20	HKED	
N#Cc1cc(NCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)ccc1F	728202205	VYOYPBNUNPELFQ-UHFFFAOYSA-N	407.059	5.362	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(F)c1F	730727261	NZMDTYJXDMHPDQ-UHFFFAOYSA-N	415.852	5.247	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)sc21	733254591	YUDXZHZAIDRIMU-INIZCTEOSA-N	424.323	5.150	30	20	HKED	
N#CCOc1cccc(NC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c1	733623126	VSUNYOVZWRYPKN-UHFFFAOYSA-N	406.873	5.498	30	20	HKED	
CCc1ccc([C@@H](NC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)C(C)C)cc1	733639133	BPTOFCMPULRYNP-QPPBQGQZSA-N	423.557	5.135	30	20	HKED	
N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1	734082381	BMQYARBGTNLFGQ-QFIPXVFZSA-N	409.514	5.604	30	20	HKED	
CN(c1ccc(NC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1F)C1CCCCC1	734089093	HCTWGBZKEKDRMG-QGZVFWFLSA-N	422.529	5.450	30	20	HKED	
C=CC[C@H](NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1)c1ccncc1	734509681	ORKDPYJNRCWACR-QFIPXVFZSA-N	408.929	5.730	30	20	HKED	
COc1ccccc1-c1ccc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)cc1	741469345	QSSKPXBKLNBILJ-LTGZKZEYSA-N	409.441	5.105	30	20	HKED	
Cc1ncsc1/C=C1/CN([C@@H]2CCCC[C@@H]2C)C/C(=C\c2scnc2C)C1=O	742435049	RCMSFEIKKVBEBE-GVIAXHIQSA-N	413.612	5.147	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	747789929	SFPXEAZXLVAYRT-HNNXBMFYSA-N	423.284	5.263	30	20	HKED	
C[C@H](ON=Cc1ccc(Br)cc1)c1nnc(-c2cccc(Cl)c2)o1	747828208	QXHPNXMXHOGFEO-NSHDSACASA-N	406.667	5.264	30	20	HKED	
C=CCC[C@H](NC(=S)Nc1ccc(NC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	749745553	OMHPTCBXDNXKLP-IBGZPJMESA-N	421.488	5.658	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccccc2Cl)cc1	751012983	APBYGXRLIGGLRO-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	754476545	YJBPVUAGMNWIBU-UHFFFAOYSA-N	411.502	5.229	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c(Br)n1	756570258	AMRHPXGKFHQNTM-UHFFFAOYSA-N	424.323	5.104	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1Br)c1cccc(Cl)c1Cl	760558778	DEPKJXZNNLYYLL-ZDUSSCGKSA-N	418.505	5.404	30	20	HKED	
N#CCCSc1ccccc1NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F	762205833	BBTVEDCCQHGVBM-QINSGFPZSA-N	410.848	5.930	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)C	769123590	XCRRUDSLJPRMIU-NHCUHLMSSA-N	421.541	5.220	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)Cc1ccc(Cl)cc1	772642599	YUPGYVBPFMXNPX-CZUORRHYSA-N	401.844	5.530	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)CCC3)cc1	772960830	WRZACUYMQBYKPV-HRAATJIYSA-N	419.550	5.449	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1OC	779102226	SGPVGRYYBFOFHP-QFIPXVFZSA-N	422.475	5.534	30	20	HKED	
Cc1ccccc1-n1c(C)cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1C	779197970	AYTYIBYFELNTNM-HXUWFJFHSA-N	412.518	5.411	30	20	HKED	
CCCCc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	782825531	IYIWNWULZVKWOU-XMMPIXPASA-N	411.505	5.262	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1	788744769	WJEKLOLWIPWUNW-ZDUSSCGKSA-N	410.380	5.087	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CO[C@H]3CCCc4ccccc43)n2)cc1	797549425	JHUVLZVVRJZQBS-OFNKIYASSA-N	402.519	5.389	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)n1	802031471	FKZLUEYPEIPLBR-IEBWSBKVSA-N	417.317	5.755	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1O	811596232	FPASNAUVCCSFPZ-UHFFFAOYSA-N	416.477	5.428	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2)cc1	916901375	GKWHMASLDZSNRN-IBGZPJMESA-N	418.880	5.285	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cc3ccccc3)n2)cc1	916948598	IBOCPKOWCVUVGH-JXFKEZNVSA-N	417.534	5.209	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc(F)cc1F)c1nc2cc(Cl)ccc2s1	917046858	UZWIWNZICFXXJA-CYBMUJFWSA-N	404.825	5.067	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(OC)c(F)c4)c23)cc1	917573793	ADGJZAPOLMENTI-UHFFFAOYSA-N	422.485	5.351	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(CC(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1	917610114	PKIHLLVEPKXBQM-UHFFFAOYSA-O	423.646	5.847	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1coc(-c2cccc(Cl)c2)n1	918775580	PYLQMDJJBCMCDM-FQEVSTJZSA-N	410.857	5.013	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Br)c1	920102589	WZTOXIWJJKFQNN-FVNWOWOISA-N	421.294	5.152	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)OC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	920265557	QOTBVDJSTHGTFR-KRWDZBQOSA-N	414.461	5.014	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CCC1	1789733897	WJEAFUCBXYNHFJ-HXUWFJFHSA-N	423.944	5.251	30	20	HKED	
Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CC(C)(C)C)CCC3)cc2)c1	1790796700	AVMNZSBDVLEMIK-UHFFFAOYSA-N	403.526	5.051	30	20	HKED	
C=C[n+]1ccn(CCCCCCn2cc[n+](CCCCCCCCCCCC)c2)c1	2382215037	ZHOUEOCZHQSCBY-UHFFFAOYSA-N	414.682	6.147	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cccc(C)c1C	10167703	AIJHRBKNWAKPAF-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C(C)C)cc2)c1	23603556	IBVLRCQWCGZGFU-UHFFFAOYSA-O	406.575	5.402	30	20	HKED	
C=CCN(CC=C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	29519444	XAXREKPZQLWSKO-SDXDJHTJSA-N	419.506	5.336	30	20	HKED	
C[C@H](Nc1snc(Cl)c1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1	54125139	PABUEDDUQAEHDW-NSHDSACASA-N	400.866	5.233	30	20	HKED	
N#CCCN(CCC#N)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1	109286922	MYXCTONNYMSERS-UHFFFAOYSA-N	418.349	5.555	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21	431183726	QOWKTKKMOGGJRP-JTSKRJEESA-N	405.567	6.012	30	20	HKED	
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(C)c1	432790318	BYWUOWDAMOZDQB-AWEZNQCLSA-N	405.523	5.170	30	20	HKED	
CC1(C)CCCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)[C@@H]1C#N	434031588	NYZHONKDWFDHTQ-LJQANCHMSA-N	418.472	5.061	30	20	HKED	
COc1ccc([C@H](NCc2cc(C#N)ccc2OC)c2ccccc2Cl)c(OC)c1	434888698	RXJXQCICKVAUNJ-XMMPIXPASA-N	422.912	5.117	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O	436822460	PBPBUZYBMAXQFJ-OAHLLOKOSA-N	419.308	5.132	30	20	HKED	
CC[C@H](N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1)c1ccc(C#N)cc1	447537663	XPHKRBITPBBKSI-BJKOFHAPSA-N	400.522	5.600	30	20	HKED	
CCN(C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@H]1CCOC(C)(C)C1	460878699	FOISSZLXHOLKCG-JPYJTQIMSA-N	405.542	5.275	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	462253662	AFCDJANDQVHFFF-XUZZJYLKSA-N	413.477	5.392	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1	463061389	OOMNXSVYOVMEER-LBPRGKRZSA-N	410.355	5.434	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)Nc1ccccc1SC[C@H](C)C#N	463208310	WYNMSLNPQKVQMO-HZPDHXFCSA-N	400.569	5.380	30	20	HKED	
CCCn1c(C)c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c2cc(OC)ccc21	464475078	UHQBVGUJHOKWDQ-QGZVFWFLSA-N	415.415	5.272	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c[nH]nc3-c3ccc(F)cc3)n2)cc1	464520293	JELSVHWCJLDBKU-KRWDZBQOSA-N	402.454	5.138	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)ccc1F	464863382	RPIYAGRIYGDHPM-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	464944861	YSEWSEVFFZKFAE-UXHICEINSA-N	405.498	5.170	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	467169514	MKXDUKCZEQOLHE-NRFANRHFSA-N	421.541	5.002	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	467526656	DUJASNUTYUJYCI-UHFFFAOYSA-N	402.494	5.412	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccccc1	475525750	DQDGKFUNCFODGP-MRXNPFEDSA-N	413.308	5.264	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C)cc1N1CCOCC1	475559485	OZGVRZOLBIKVTI-UHFFFAOYSA-N	407.558	5.005	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1nc([C@H](C)SCC)no1	475574630	WQZWSIKKQVUBRG-HNNXBMFYSA-N	402.564	5.400	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1	476083976	MCRXMEXEKUPMIN-UHFFFAOYSA-N	404.579	6.460	30	20	HKED	
C=C(C)[C@@H](NCc1ncc(-c2ccc(Br)cc2)o1)c1ccc(F)c(F)c1	481611503	RGSMEVHWIQNZNG-HXUWFJFHSA-N	419.269	5.789	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	485225286	GSRVXQYQKJJKAP-OAHLLOKOSA-N	408.317	5.290	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccccc1	487154782	JQFKJEUZMDSHNW-GMAHTHKFSA-N	404.558	5.045	30	20	HKED	
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)o1	487222971	SGCPUVOESPNBCO-OAHLLOKOSA-N	424.551	5.170	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCC[C@H](C)C1	488106546	SYTQUXZPXTXTAP-IPMKNSEASA-N	415.603	5.227	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nnc(-c2cccc(Cl)c2)o1	488771442	VEZHJJHLKZAOJV-VIFPVBQESA-N	410.808	5.529	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1ccccc1	488978403	KBTCNQCOGZLJHW-HSZRJFAPSA-N	421.518	5.181	30	20	HKED	
C[C@@H]1CCc2nc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)sc2C1	490767921	ILKSFKRNQCJWLA-OAHLLOKOSA-N	419.575	5.684	30	20	HKED	
N#Cc1cccc(CNC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1	496687871	FDTBUMBRFIXCRA-UHFFFAOYSA-N	412.514	5.668	30	20	HKED	
N#C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1	499409150	SKOIIMDRTPUFOO-QFIPXVFZSA-N	419.322	5.352	30	20	HKED	
C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nnc(-c2cccs2)o1	501055809	GRUFWLYREQMTDV-GFCCVEGCSA-N	420.519	5.667	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1cccc(C(F)(F)F)c1	505955810	ZYFSWDOJEHSZHW-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
COc1ccc(Oc2cc(CNC3CCC(C#N)(c4ccccc4)CC3)ccn2)cc1	507621115	MXTKXFWUGBLGFP-UHFFFAOYSA-N	413.521	5.376	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	511016245	PASAIZJGSGTZJZ-MRXNPFEDSA-N	422.554	5.010	30	20	HKED	
C[C@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(C#N)cc1F	512655170	SAUWEQFIMSXNEF-IBGZPJMESA-N	410.496	5.460	30	20	HKED	
N#C[C@H](C(=O)c1cc2sc3ccccc3c2s1)c1ccc(C(F)(F)F)cn1	513167019	UFSALUYSPKXNAE-LBPRGKRZSA-N	402.422	6.020	30	20	HKED	
CCCCOc1ccc(-c2nnc(CSc3nc4c(c(C)c3C#N)CCC4)o2)cc1	514434612	YTVOQVQYZXIVTP-UHFFFAOYSA-N	420.538	5.272	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	518175578	ZFNAMZVJFVPCDK-QGZVFWFLSA-N	405.866	5.609	30	20	HKED	
COc1ccccc1C1(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1	520326649	DLUKZMSAMWFDHH-UHFFFAOYSA-N	412.489	5.015	30	20	HKED	
C=CCOc1cccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1	520959554	RMQJZOVXSMBTJL-DEOSSOPVSA-N	401.485	5.271	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)nc1	521107841	IBVOBPXURKVCLI-UHFFFAOYSA-N	419.484	5.588	30	20	HKED	
Cc1nc2ccccc2n1CCCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521963390	WTNOYPZANVBTAN-UHFFFAOYSA-N	424.504	5.023	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1	522021203	WZLCVTBQRJYFDW-UHFFFAOYSA-N	402.932	5.010	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1csc(C(F)(F)F)n1	526995389	NKTIIFVZGMIVLL-UHFFFAOYSA-N	419.403	5.328	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c1	530913377	XCKBEUPYPDYKTL-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
C[C@H]1CCCN(Cc2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)cc2)C1	533212205	GEAOAQGTVILPJF-NRFANRHFSA-N	413.569	5.308	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1	533908148	ZMHFGPRLGZFGMJ-IBGZPJMESA-N	402.469	5.305	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1	534055735	RQGKOLPFLJNSEJ-UHFFFAOYSA-N	420.372	5.136	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1	535170110	ZDPSKNZOCKUPKI-UHFFFAOYSA-N	418.566	5.358	30	20	HKED	
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	537442549	SFKBMCQLSGLHBV-SFTDATJTSA-N	412.455	5.669	30	20	HKED	
COc1ccc(CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C2CCCCC2)cc1OC	537688573	UNFWGXHZDGOZJQ-GOSISDBHSA-N	421.541	5.181	30	20	HKED	
CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc21	538047814	QCNNRFUGJDLKML-UHFFFAOYSA-N	409.489	5.167	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1	542282655	UHLJLXSTJBSATR-INIZCTEOSA-N	419.435	5.060	30	20	HKED	
O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@H](c2ccccc2C(F)(F)F)C1	542913417	KVBCVLGRNIDESB-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	543915809	TZWSTODZBUQGFS-GOSISDBHSA-N	414.530	5.019	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	546710697	XHIPVEOBFVWYCD-UHFFFAOYSA-N	411.483	5.010	30	20	HKED	
N#Cc1nnc2ccccc2c1N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	557671606	XDVUXGHKLCDRQL-FQEVSTJZSA-N	412.415	5.100	30	20	HKED	
C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1	562260412	UAVWMDPIANEGJN-CQSZACIVSA-N	400.313	5.039	30	20	HKED	
COc1ccc(CN2CCC(c3cccc(F)c3F)CC2)cc1OCCCC#N	562303941	DCXZQBHSIXPPRG-UHFFFAOYSA-N	400.469	5.036	30	20	HKED	
CC(C)(C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1cc(F)cc(C#N)c1	569613242	KPLPDNYGEYPQCT-UHFFFAOYSA-N	407.464	5.002	30	20	HKED	
C[C@H](NCc1ccc(Br)cc1C#N)c1ccc(OCc2cccnc2)cc1	571429643	HBZBAEXQCQPAQE-INIZCTEOSA-N	422.326	5.146	30	20	HKED	
Cc1nc(NC(=O)CCCCCC#N)sc1-c1nc2ccccc2n1C(F)F	588269844	AGDHUXHIBNGBLV-UHFFFAOYSA-N	403.458	5.276	30	20	HKED	
N#CCCCCCC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	588347938	DJIHXWUUIZVAQB-UHFFFAOYSA-N	403.404	5.370	30	20	HKED	
C[C@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)c1ccccc1	589975355	WZAIVKRKWOCABR-HNNXBMFYSA-N	411.914	5.422	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603828921	DUAPUYZVAHNDAH-AWEZNQCLSA-N	408.408	5.249	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)cc1	603950542	QTRPZPIKOCKLPR-QFIPXVFZSA-N	416.477	5.106	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608110282	KNZMHBDFJPNGHA-MRVWCRGKSA-N	413.377	5.420	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1c[nH]c2ccccc12	609079079	ZLWRWCZWIREPDA-UHFFFAOYSA-N	424.504	5.291	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2)cc1	609175906	OBQSLKJDHGMUEQ-DEOSSOPVSA-N	414.461	5.161	30	20	HKED	
CC(C)(C)c1ccc(SCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1	609184860	DLHGPLTYTBWUEQ-UHFFFAOYSA-N	408.567	5.018	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	609231960	VWUOYIHJZGMRHN-UHFFFAOYSA-N	416.546	5.521	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1	609434713	KIUCSINYNNHFIZ-AWEZNQCLSA-N	407.461	5.764	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl	609556006	RDBIKLKOBDJBAY-UHFFFAOYSA-N	413.783	5.487	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1Cl	609807430	SUKTYSNVISXMSW-TZIWHRDSSA-N	419.937	5.964	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3csc(Nc4ccccn4)n3)cc2)cc1	609874589	QHIXQKJXQVMUFR-UHFFFAOYSA-N	413.462	5.198	30	20	HKED	
CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	610083692	GCHVZKVLNQBWBK-UHFFFAOYSA-N	416.852	5.082	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2c1	610090130	RGCZKNIMTLRMSH-SFHVURJKSA-N	413.477	5.679	30	20	HKED	
COc1ccc(Br)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N	610174905	LRZNHGLWTMWSHX-GFCCVEGCSA-N	405.317	5.104	30	20	HKED	
COc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	610359818	OVDVZFAPZKNAHY-MRXNPFEDSA-N	420.896	5.290	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(Cc3ccccc3)C2)cc1Cl	610629252	SCZPRIBWAVPAOZ-HSZRJFAPSA-N	415.924	5.702	30	20	HKED	
C[C@H](c1ccc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1)C(F)(F)F	622355144	RRSRVXWHUMMLGQ-SNVBAGLBSA-N	424.316	5.279	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc(F)c(C(F)(F)F)cc1F	622600710	AIPVLJAKWSJAKM-GFCCVEGCSA-N	411.292	5.336	30	20	HKED	
N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)c1	726801042	CSZVAXBKTUESCL-WQRHYEAKSA-N	416.474	5.053	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](Cc1ccccc1)C1CCCCC1	727235057	NGDCBNWFJZTYQB-XMMPIXPASA-N	407.558	5.081	30	20	HKED	
C=C(Br)CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	729682772	JJQSTBODFMGDIR-UHFFFAOYSA-N	414.130	5.244	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc2cc(F)ccc2s1	730421613	LUFXILNJAXVXBM-HNNXBMFYSA-N	414.552	5.794	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)c(Cl)c1OC	730433741	IYYBRTWTQYTWLZ-WEVVVXLNSA-N	400.780	5.194	30	20	HKED	
C#CCOc1ccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1	730981053	BIZWKAAOTNCWFC-UHFFFAOYSA-N	424.909	5.227	30	20	HKED	
Fc1ccccc1-c1nc2c(s1)C(=NNc1ncccc1C(F)(F)F)CCC2	731925870	ZUXMTCYATGGWKU-UHFFFAOYSA-N	406.408	5.516	30	20	HKED	
Cc1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccc(F)cc2Cl)cc1	731991480	QWYSNTLVLRYDDY-DEOSSOPVSA-N	422.887	5.138	30	20	HKED	
CC(C)n1cc(/C=C2/CC(c3ccccc3)C/C(=C\c3cnn(C(C)C)c3)C2=O)cn1	732714188	TWIXDPZWUCGLAG-KDWDADFLSA-N	414.553	5.855	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c1	733802083	WJXYGZWVAMWRTC-XJKSGUPXSA-N	406.313	5.235	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	742733559	CMQLMGZRRIEKIN-DUXPYHPUSA-N	416.296	5.065	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc2ccccc2c1	744038301	PSUFGQSENDPOJU-SFHVURJKSA-N	403.432	5.739	30	20	HKED	
FC(F)Oc1cccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1	747042126	JUWYGGWPUOQIHA-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1nnc(-c2ccc(Cl)cc2Cl)o1	758060595	RNNXQIVNWUJXMI-QMMMGPOBSA-N	424.190	5.111	30	20	HKED	
N#CCOc1cccc(CC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)c1	760457593	YAWNBRPPQZHLSV-MHZLTWQESA-N	406.485	5.190	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccncc1	766685826	UNGTZLPVABLZJC-OAQYLSRUSA-N	402.885	5.121	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)c1	772985780	YUEZNKBODLOSOX-UNMCSNQZSA-N	417.578	5.967	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1Cl	777489866	OUVPZJXWJGBZAN-LBPRGKRZSA-N	422.337	5.089	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	780158431	BDMOWMBRYCYJJG-OJYSUCSVSA-N	417.347	5.040	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)s1	780576124	JCIWPCMKVQHAPD-HOCLYGCPSA-N	407.499	5.015	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1	780684307	NLZKNPHPHDVZGC-AWEZNQCLSA-N	403.404	5.193	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2c(Cl)ccc3cccnc23)SC1=S	781101888	XHCZNOHJKKPFCI-LICLKQGHSA-N	407.907	5.166	30	20	HKED	
O=C(/C=C\c1ccncn1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	781445035	VYOCLXAJCQSGQV-KTKRTIGZSA-N	414.515	5.110	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)c1cc(Oc2cccc(Br)c2)ccn1	784615613	YCXQVQKDUAWZSD-HXUWFJFHSA-N	420.303	5.022	30	20	HKED	
CC(C)Oc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1Cl	793547736	MSEBPSNDISKJMN-INIZCTEOSA-N	413.949	5.133	30	20	HKED	
CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc21	796614357	NYTUFFBIPBTLMW-UHFFFAOYSA-N	411.889	5.004	30	20	HKED	
N#CC1(CCCOC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CCOCC1	800165468	PJJMOSIJSCXCSQ-BJKOFHAPSA-N	419.521	5.013	30	20	HKED	
CC(=NNc1ccnc(Br)c1)c1sc(-c2ccccc2F)nc1C	814905894	XFMHJOTWAGRYFQ-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cs2)cc1	915086883	OBNLEAXKGUUXRR-XMMPIXPASA-N	423.541	5.955	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(F)cccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	916977005	ZLYOBGZIZSSLSK-AWEZNQCLSA-N	412.898	6.307	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	918487984	TYULTONJDUFZOR-AWEZNQCLSA-N	415.301	5.683	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C(F)(F)F)cc3)n2)cc1	920138308	DEQZXUBQYXYFLK-KRWDZBQOSA-N	416.424	5.256	30	20	HKED	
Cc1sc2ncn(N=Cc3ccccc3OCC3CC3)c(=O)c2c1-c1ccccc1	920364422	VSYZPLBXPHDHHL-UHFFFAOYSA-N	415.518	5.104	30	20	HKED	
CC[C@@H](C)[C@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1ccccc1	1787886165	IRUIAFIKTDLRQE-DVECYGJZSA-N	417.553	5.254	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(C)c(C)c1	11160446	XXZIOTVTQYCVIY-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CC(C)c1nnc(SCc2ccc(-c3ccccc3C#N)cc2)n1Cc1ccco1	22417384	BONAOCOGTOKEPH-UHFFFAOYSA-N	414.534	5.874	30	20	HKED	
CCCOc1c(Cl)cc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1OCC	23218715	QPJFCYQVCYKXAN-ATVHPVEESA-N	408.951	5.030	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1c(C)cccc1C	23603154	OCXVANYKEOXHDP-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2cccc(C#N)c2)cc1Cl	26323783	KVKRNXOXJLYVQN-QHCPKHFHSA-N	419.912	5.032	30	20	HKED	
O/C(CN[C@H](c1ccccc1)c1ccccn1)=N\c1nc(-c2ccc(F)cc2)cs1	29119690	KFCKNVBWSFLQLF-JOCHJYFZSA-N	418.497	5.311	30	20	HKED	
Cc1ccc(OCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1C	47974633	DIAPDAOJVUOVMA-UHFFFAOYSA-N	401.466	5.078	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCSc2ccc(F)cc21	58304473	LPWUZLOTUDEZER-IBGZPJMESA-N	420.534	5.815	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)cs1	253480370	WKLRSPDLGKWKBN-UHFFFAOYSA-N	408.552	5.041	30	20	HKED	
C[C@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(NC(=O)Cc2ccccc2F)c1	301170166	JUPCGUMMZSVDEY-AWEZNQCLSA-N	408.864	5.100	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(F)c1	303013222	KBDBYFGPXHHZGK-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1	303066492	WAZZIGMFLCLCBT-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1	303355293	ZHINBBMDXDUWOI-UHFFFAOYSA-N	402.422	5.166	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1	303558293	KURPUTYMACHZPS-UHFFFAOYSA-N	416.477	5.185	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(Cl)c(Br)c1	315177979	YXYCVXHPQVNUIZ-UHFFFAOYSA-N	406.132	5.041	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c1	409929610	AVXINUIJRNJYCS-VQTJNVASSA-N	415.320	5.039	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccnn1Cc1cccc2ccccc12)c1ccccc1	429742690	ZOQWLXQTBNKJEY-HSZRJFAPSA-N	409.493	5.251	30	20	HKED	
C[C@@H]1CCCN(Cc2ccccc2CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1	431810079	NNRXODDMDVMBFY-PXDATVDWSA-N	418.585	5.153	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)nc2ccccc21	435478056	RWDTZVCACFCIRE-QGZVFWFLSA-N	400.869	5.142	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H](CCC#N)c3ccccc3)s2)cc1	438842295	RILYVJSWSAMUHY-GHTZIAJQSA-N	418.566	5.832	30	20	HKED	
CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	439643911	HBPFJGAWDYOPOO-HNNXBMFYSA-N	417.440	5.131	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cc2ccccc2nc1O)c1ccc(C(F)(F)F)cc1	441538911	GETVALYYYDPYGC-GOSISDBHSA-N	400.400	5.397	30	20	HKED	
Cc1cccc2nc(C3CCN(C(=O)Nc4ccc(OC(C)C)c(C#N)c4)CC3)oc12	444870012	FZPZLSBXHAJMGN-UHFFFAOYSA-N	418.497	5.207	30	20	HKED	
Cc1cc(Cl)c2ccccc2c1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	462213819	MMMKMTDJWPPVDW-UHFFFAOYSA-N	419.912	5.467	30	20	HKED	
N#CCCCC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1	464129417	CKPLFBMOKWIOIY-UHFFFAOYSA-N	400.301	5.358	30	20	HKED	
C[C@@H](NC(=O)N1Cc2ccc(O)cc2C2(CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	464325398	SBCLHIGOKAXIKL-GOSISDBHSA-N	423.516	5.249	30	20	HKED	
CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@@H]1CCOC(C)(C)C1	464684723	HRLOZDNEDKWUGO-QGZVFWFLSA-N	412.917	5.424	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	465125696	HBUPCDSHFOHHPL-CPJSRVTESA-N	414.505	5.052	30	20	HKED	
C=C(C)C[C@H](C)C(=O)Nc1ccc(N(C)C(=O)[C@@H](C)CC(=C)C)c(Br)c1	466870110	IZBXSQYRZZXIFI-HOTGVXAUSA-N	421.379	5.555	30	20	HKED	
CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	467021641	GKHKUZYINYOZFC-JTHBVZDNSA-N	423.582	5.470	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	467906223	OOBPOKOIDVKPFZ-PMERELPUSA-N	418.562	5.605	30	20	HKED	
O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F	468535050	FPQCFGZDWXUPQJ-RYUDHWBXSA-N	407.276	5.152	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(Oc4ccccc4)o3)ccc21	468828115	CUIYWOZJOGGHSA-UHFFFAOYSA-N	401.466	5.267	30	20	HKED	
CCCCC1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1	470537758	LYYPEOONGNDYIN-UHFFFAOYSA-N	410.562	5.140	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@]1(CO)CC(C)C	474502844	PEVZDTQZGXVMSA-DEOSSOPVSA-N	407.514	5.064	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(c1cccc(N)c1)C1CCCC1	475186004	RBLPLJHPJWTNDR-UHFFFAOYSA-N	405.542	5.035	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)C[C@H](CC#N)c1ccccc1	475253058	LKNKLZNFZZJUFB-FPOVZHCZSA-N	403.526	5.036	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccnc(OCc2ccccc2)c1	475568595	ODDSLINZAXJJIJ-UHFFFAOYSA-N	415.537	5.834	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	476124324	TZUCMKGZXPSRDC-MRXNPFEDSA-N	414.908	5.323	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1	476930501	SDRIUTTVPCWQRP-SFHVURJKSA-N	424.545	5.458	30	20	HKED	
C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	479364256	RKTMKNZDHZPMQI-ZDUSSCGKSA-N	407.461	5.440	30	20	HKED	
CCOc1nc(C)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	485519950	LZZJRLSWSXOFIX-UHFFFAOYSA-N	409.433	5.066	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C/C=C/c2cccc(F)c2)cc1	486663406	CTBYPHJALLDRGL-GQCTYLIASA-N	400.453	5.513	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCC[C@@H](C)C1	488106544	SYTQUXZPXTXTAP-GUDVDZBRSA-N	415.603	5.227	30	20	HKED	
COc1cc(C)cc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C	488344428	FWAWQJNJSIRKDB-UHFFFAOYSA-N	414.465	5.080	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	489141428	YQOFYFBRGFYNAF-VFIGECHUSA-N	410.945	5.918	30	20	HKED	
C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3o2)nnc1-c1cccs1	489427991	OBWJGQKHUQFNDD-UHFFFAOYSA-N	422.457	5.645	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3[C@H]4CCC[C@H]3CC4)s2)c(C(F)(F)F)c1	496315072	RHIAFLGDXOACSY-GJZGRUSLSA-N	420.460	5.173	30	20	HKED	
Cc1c(C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)sc2ccc(C#N)cc12	498747136	OQMZAIZTADZMRM-LJQANCHMSA-N	404.539	5.200	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1	499246214	BMWRRSWMJPFONE-UHFFFAOYSA-N	415.346	5.350	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1	501093536	BDGXBTASKUFXGD-XMMPIXPASA-N	417.557	5.045	30	20	HKED	
Cc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(OCC(F)(F)F)c1	503625365	NCSUEUDKXQROMS-UHFFFAOYSA-N	415.415	5.129	30	20	HKED	
Cn1c(SC[C@@H](C#N)CCC#N)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2	508484773	BGAHWJRNVGELJW-ZBFHGGJFSA-N	413.616	5.230	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1	510676518	YXLBEGDUHIKHJJ-SFHVURJKSA-N	403.482	5.108	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510906138	KGUWSCINYVOMQP-UHFFFAOYSA-N	415.493	5.722	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)n1	511185051	ISNNXZSSTZTALE-AWEZNQCLSA-N	418.547	5.801	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(OC(F)F)cc3F)c2)c1	512499535	OCXOJEPZCSCJDG-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
CNC(=O)Nc1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	512869043	MMOVKSRHRHMTNL-UHFFFAOYSA-N	409.305	5.227	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	515626286	XYINFFGEOFUEEU-CQSZACIVSA-N	420.559	5.513	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H](C)c3ccc(C#N)cc3)s2)cc1	517418299	YMCUOEWODQIJRZ-RDJZCZTQSA-N	404.539	5.420	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2c1	517800689	BFWQEGZIGAEIKR-HXUWFJFHSA-N	408.486	5.337	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518255441	DGYJDSVWXPHVJZ-UHFFFAOYSA-N	423.419	5.616	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c(Cl)cccc21	518754493	OSRVUMGLEMGGST-XJKSGUPXSA-N	401.919	5.380	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2CN2CCCC2)cc1Cl	519186645	KTSZHCXVKVFDCA-UNMCSNQZSA-N	422.960	5.088	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2)c1	519508775	LRSRMOBYWLMUTB-UHFFFAOYSA-N	417.515	5.717	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)cc1	519515434	IRTNLVZZCIARKR-HNNXBMFYSA-N	404.491	5.796	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1	521120050	GFIZTUSMNAEUNE-CPJSRVTESA-N	417.553	5.874	30	20	HKED	
Cc1cccc(OCCN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	521811004	NYOOAVLUXZXLJI-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
CC[C@@](C)(C#N)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1	522205788	GFTMVEPZCXMAKI-IBGZPJMESA-N	421.353	5.183	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1Oc1ccncc1	522389584	CUYYQDPJYOGRFF-SFHVURJKSA-N	412.276	5.484	30	20	HKED	
Cc1sc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C#N)c1C	523882341	JPJSWBRWWGQUCX-UHFFFAOYSA-N	407.882	5.806	30	20	HKED	
CC(C)n1cc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2n1	525376111	BUCGIXQTPQHIGE-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
Cc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	526101502	DHVNZZQGCHXNPX-HXUWFJFHSA-N	417.896	5.190	30	20	HKED	
COc1ccc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1OCCCC#N	535807271	CDTZHGOGBPWCKL-GOSISDBHSA-N	423.488	5.038	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C	538234361	KVGSKEXOQOIPMW-KSFYIVLOSA-N	413.562	5.535	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1F	539249086	FYKADLSOAIOQKZ-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
CCC[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1F	539324720	FGUDAVDFWKSJPD-HNAYVOBHSA-N	417.525	5.286	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1	541177430	ODGOTCRMHYFEJC-DLBZAZTESA-N	422.525	5.180	30	20	HKED	
C[C@H](NCc1nc(CCc2ccccc2)no1)c1ccc(-c2cccc(C#N)c2)cc1	542017407	BPKLKLNZJVCEJI-IBGZPJMESA-N	408.505	5.244	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(Br)c(Cl)c3Cl)CC2)c1	542561010	PVLCCQSVXOMTAG-UHFFFAOYSA-N	410.098	5.298	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	544656921	QALYSVVYHVSTSD-QGZVFWFLSA-N	421.460	5.146	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C	554438319	CQYRJSOMIWVVPC-GFCCVEGCSA-N	410.465	5.439	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)CC1CCOCC1	555256459	WDIMMBFMAUNECF-IBGZPJMESA-N	420.557	5.010	30	20	HKED	
O=C(O)C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	556320797	DRODYLYVZMTATP-HNNXBMFYSA-N	409.301	5.169	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)s1	556940395	XZVQAOLDPQNTSG-FQEVSTJZSA-N	411.530	6.146	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2ccc(C)cc2C)n1	557608803	GIVMLRJUHBOQDT-UHFFFAOYSA-N	408.571	5.423	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC2CCC2)c(F)c1	558353952	TYJNHNWUXROYDF-UHFFFAOYSA-N	400.498	5.145	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc3ccc(O)cc23)cc1	564029847	PZHYIEZLZIPMLK-UHFFFAOYSA-N	410.498	5.962	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3c4ccccc4CC34CCOCC4)c2)cc1	570735289	IMPXEZLUQXZANS-RUZDIDTESA-N	424.500	5.175	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1CC#N	573955838	LWBCKPJRKWXDBT-UHFFFAOYSA-N	409.898	5.281	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	577834968	FXCQMSHIBXSLPJ-UHFFFAOYSA-N	410.499	5.043	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1csc(C)n1	580485122	PXVGPOBNGGBDTE-YLJYHZDGSA-N	423.586	5.327	30	20	HKED	
Cc1nc([C@@H](C)N(C)CCOCc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	582248876	VRTJWUWRVSWZEB-QGZVFWFLSA-N	409.917	5.385	30	20	HKED	
N#CC[C@@H](Cc1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1)c1ccccc1	589143007	NBQNAOFORQPKJZ-ZDUSSCGKSA-N	408.235	5.756	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(C#N)c(Cl)c3)c2C2CC2)cc1Cl	603563695	XMWCILBSALPMHI-UHFFFAOYSA-N	411.292	5.489	30	20	HKED	
CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603692513	ZWGXOGPZEUYANV-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1C#N	604244599	WJNVRINIWLCLBL-QGZVFWFLSA-N	416.550	5.054	30	20	HKED	
C=CCN(CC=C)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12	606168657	JEDWELLCWLXWKL-UHFFFAOYSA-N	401.388	5.031	30	20	HKED	
COc1cccc([C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609061323	ZYQADKZNZNQCLZ-GOSISDBHSA-N	400.478	5.197	30	20	HKED	
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2SCCC#N)CC1=O	609378782	RZJASNNQYCLPHD-QZTJIDSGSA-N	421.566	5.197	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1ccc(C#N)cn1	610234838	JVHBRUKJBUEGQT-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(C#N)c1	610320959	WUOPJWUXSLKABT-OPAMFIHVSA-N	414.896	5.750	30	20	HKED	
C[C@H](Nc1nc(CN(C)C)nc2scc(-c3ccccc3)c12)c1cccc(C#N)c1	610340187	AETUWXUNARBCSU-INIZCTEOSA-N	413.550	5.465	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)c1cccc(C#N)c1	610348215	LPJMZWCWJXAYOR-XOBRGWDASA-N	412.331	5.222	30	20	HKED	
C[C@@H](NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cccc(C#N)c1	610362961	IBFNFLRZWNLSOH-QRQCRPRQSA-N	408.473	5.547	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cccc(Oc4nccs4)c3)n2)c1	611052307	PTVMQILLZFOZOH-UHFFFAOYSA-N	404.476	5.183	30	20	HKED	
CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cn1	613394117	DMJLLJTZAXIAOK-NGOBRMJYSA-N	408.571	5.052	30	20	HKED	
CC(C)(C#N)c1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1	618546516	ASSXGPBNWIXBIL-UHFFFAOYSA-N	402.460	5.302	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	678970347	QQTWYIWNIRWXCM-CQSZACIVSA-N	420.460	5.671	30	20	HKED	
Cc1oc2ccccc2c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	681041720	DSGOJIORIGBXPL-CYBMUJFWSA-N	400.381	5.860	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c2o1	682400064	DZBQGOBAJGQBFL-MRXNPFEDSA-N	405.251	5.542	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)sc1-c1ccc(F)cc1	726732851	LHNCPHRIUJFLOS-QGZVFWFLSA-N	412.873	5.477	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c3ccccc3n(C)c2s1	726755839	ZCWYGSFMZBJPQE-UHFFFAOYSA-N	410.502	5.142	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1Cl	727628065	RTJAVFTXEDFDAY-ZHZWZMEUSA-N	407.684	5.398	30	20	HKED	
CCOC(=O)N(C)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	728470287	IMIHPFDCZGTLJZ-UHFFFAOYSA-N	415.449	5.196	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@@H](c2cccc(F)c2)c2ccccn2)cc1OC	729193388	LIDBKKCWYWPFGB-BVYAJCBJSA-N	419.452	5.140	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc2c(c1)CCC2	730996747	ZEOVYEUKMQKFPA-UHFFFAOYSA-N	420.456	5.217	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c1	733771449	RPVUHUQMPZBFSZ-HNAYVOBHSA-N	404.432	5.196	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3nc(C)cs3)c2)cc1	740536304	RGGRNJDPMYQADI-VFNWGFHPSA-N	417.534	5.593	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)ccc1OC	741851600	AZYVEXHICPMVNQ-UEOUDEGLSA-N	415.493	5.134	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C/c1csc(COc3ccc(Cl)cc3)n1)C2=O	742436389	BFAIPGUELMZCHE-YBEGLDIGSA-N	406.894	5.460	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	744016416	MZBUZRQUOHXLRX-KZNAEPCWSA-N	411.288	5.478	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744036129	VXLAUHCHSAEFQG-KOTGUFOOSA-N	420.843	6.248	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Br)s1	744064516	XNXCEFQPJRAWEH-JQWIXIFHSA-N	418.341	5.009	30	20	HKED	
COc1sc(/C=C/C(=O)c2sccc2Br)cc1Br	746520079	JPSMCUIYGSFNDG-NSCUHMNNSA-N	408.136	5.239	30	20	HKED	
C[C@H](C#N)CN(C)Cn1nc(SCc2cccc3ccccc23)sc1=S	746706612	ZEKLVVXNFWZECR-CQSZACIVSA-N	400.598	5.169	30	20	HKED	
N#CCC[C@H](/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1	747690975	RRIRNQLBLUQALW-XYHOIZSOSA-N	422.120	5.381	30	20	HKED	
COc1ccccc1C1(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CC1	749338887	IGQTXDYBOCQFRY-ZDUSSCGKSA-N	410.445	5.005	30	20	HKED	
Cc1cccc2sc(C(=O)NC3CCN(c4ccccc4C#N)CC3)c(Cl)c12	749529888	INZJBNHTARJVMR-UHFFFAOYSA-N	409.942	5.134	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3ccncc3)cc2F)cc1	751535498	NTMUTPQTJQFEMN-TWGQIWQCSA-N	413.452	5.096	30	20	HKED	
N#CC1CCC(COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1	755977031	NDXOQUDLYMNJAS-RWWKDMOOSA-N	424.928	5.074	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNCc2cccc(Cl)c2)cs1	756833044	ZKUMDEUEBJFLNR-UHFFFAOYSA-N	412.946	5.222	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1	761663860	CPKJQPOVFHXEKQ-OAQYLSRUSA-N	409.848	5.293	30	20	HKED	
CCCOc1cccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1	763004650	LEZCKLRSCXIBHO-HXUWFJFHSA-N	406.507	5.026	30	20	HKED	
Cc1nc([C@H](C)ON=CC(=O)Nc2ccc(F)cc2F)oc1-c1ccc(Cl)cc1	763178644	DLQKKUWXWYSNDG-LBPRGKRZSA-N	419.815	5.284	30	20	HKED	
CC[C@@H]1CCCC[C@@H]1OCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	766851014	AXFHPOQKXYIVKW-LPMFXHHGSA-N	404.482	5.250	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1	767836297	PJHSKCVKRXOBIH-SFHVURJKSA-N	405.882	5.095	30	20	HKED	
N#C[C@@H]1C(CN2CCC[C@@H]2CCC2CCCCC2)=CC(=O)n2c1nc1ccccc12	767902012	KPVRZPHHFFETSN-NHCUHLMSSA-N	402.542	5.049	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCSc3ccc(Br)cc32)c1	772983906	NEELZANDMARCQU-LPHOPBHVSA-N	417.372	5.457	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)s1	773973070	BXVJFYIZEPVHCR-KRWDZBQOSA-N	409.898	5.042	30	20	HKED	
N#C[C@H]1C(CN[C@@H](CC2CCCC2)c2ccccc2)=CC(=O)n2c1nc1ccccc12	775550688	LGKJAWZBQWVWHI-GMAHTHKFSA-N	410.521	5.135	30	20	HKED	
N#C[C@H](C(=O)CN1CCC(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1	775824650	UFFPTVMZVMNQFP-GOSISDBHSA-N	409.942	5.006	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)n2)cc1	776732186	QSPNRTBUROEVPQ-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)cc1	776750283	PGCDMXCDELFXJD-UHFFFAOYSA-N	410.473	5.046	30	20	HKED	
CCCOc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1OCCC	778103001	FWIDGFBGCPYPOI-UHFFFAOYSA-N	404.514	5.148	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc12	780160825	GOANCYPBTGXUIT-ZDUSSCGKSA-N	420.469	5.078	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	780676890	AAOZLTCMJADTPY-ZWKOTPCHSA-N	415.493	5.536	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	781555523	KFLNEJFQPXIZRK-ZHACJKMWSA-N	416.424	5.683	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccn2)nc2ccccc12	790813586	QLMVWUNCFRIDPD-GJZUVCINSA-N	418.500	5.209	30	20	HKED	
FC(F)Oc1ccccc1[C@@H](NC(=S)NCCCCC(F)(F)F)C(F)(F)F	794988684	KHOKJRHUSQKXDW-LLVKDONJSA-N	424.357	5.088	30	20	HKED	
C=CC[C@H](OC(=O)CCc1nc(CSC)no1)c1ccc(Cl)c(Cl)c1	797554595	MFLTWUDZWJZUHS-AWEZNQCLSA-N	401.315	5.033	30	20	HKED	
N#CCc1ccccc1CC(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	804576384	INKQUCCDAODPRY-IBGZPJMESA-N	420.727	5.004	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c1	809128589	YMMPPMUOZCPPPW-OAHLLOKOSA-N	423.284	5.263	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C2=CCCC2)cc1	811257316	CDNLFMIOVIIGLI-KRWDZBQOSA-N	420.534	5.444	30	20	HKED	
CC(C)COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813212069	WVMNCTDBHNWUFQ-GOSISDBHSA-N	404.432	5.289	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccccc1	814636245	CQVHKPCLTCXZNW-IBGZPJMESA-N	421.888	5.479	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1	915086071	GBQLCAJWIVDCOG-LJQANCHMSA-N	409.258	5.496	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	915102317	WMIKYKKNRUWZKL-INIZCTEOSA-N	402.903	5.571	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccs1	916158987	BRXVWYTXNDCQFR-OAQYLSRUSA-N	406.482	5.154	30	20	HKED	
CCOc1cc(C=Nn2c(C)nnc2C)ccc1OCc1ccc(C(C)(C)C)cc1	916349298	VCCCWMWUKVJXFE-UHFFFAOYSA-N	406.530	5.052	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)CSc1nc2ccccc2s1	917713904	MNEBJKWQUMDAJZ-UHFFFAOYSA-N	407.545	5.627	30	20	HKED	
CCCCCCC[C@@H](C)CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1	918380568	FOXHKFCHUWEHIR-MRXNPFEDSA-N	413.027	5.367	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(C)c4)CCC3)n2)cc1	920141852	IERCNJASWCIGLZ-FQEVSTJZSA-N	402.519	5.425	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C(F)(F)c3ccc(F)cc3)c2)cc1	920846479	VOHCHNFRWHJISJ-UHFFFAOYSA-N	410.395	5.201	30	20	HKED	
Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	921289757	VEWTXKDIXZMOMZ-SFHVURJKSA-N	402.519	5.215	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3coc(Cl)n3)cc2)CCC1	1787109810	WWBDPLKGCSNCNZ-UHFFFAOYSA-N	415.921	5.068	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1	1790957247	ZZBALTDYOWGABZ-KRWDZBQOSA-N	402.494	5.393	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3ccc(C)cc3s2)C1	1845673404	OIFPDNXTMZWKSH-UHFFFAOYSA-N	410.583	5.019	30	20	HKED	
C=CCn1c(SCCC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12	4788104	UVQDFDHBNHWYEL-UHFFFAOYSA-N	411.534	5.661	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(F)cc2)cc1	10829777	GUCQNJQBAQBRKS-UHFFFAOYSA-O	421.561	5.850	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1	11082872	QQMMGAAHYYWDFI-UHFFFAOYSA-O	421.561	5.652	30	20	HKED	
Cc1cc(C)cc(-c2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)o2)c1	19392445	HQGTWUAAOIIHEL-UHFFFAOYSA-N	401.495	5.012	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1	22041642	VFLZCFLKJHVYDB-ZDUSSCGKSA-N	401.894	5.287	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccc(CC#N)cc3)cc12	28670142	UFMQZLJHHZOXJH-UHFFFAOYSA-N	406.898	5.367	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)C2CC2)cc1	48161691	CDPNIOJUKYEWFA-RUZDIDTESA-N	411.505	5.604	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)sc2c1CCCC2	63890839	ZJEOZMHMVIMGCY-UHFFFAOYSA-N	413.546	5.314	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1	65775989	XOMVXVQDLJNCPR-UHFFFAOYSA-N	402.972	5.325	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3C)n2)nnc1-c1ccncc1	103971714	VELNYOFVDWZEDW-UHFFFAOYSA-N	420.567	5.327	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NCc2ccc(O[C@@H](C)C#N)cc2)cc1	237346758	QSYOACOJAWQNHF-BVZFJXPGSA-N	404.485	5.199	30	20	HKED	
COc1cccc(C(Nc2nc(C(F)(F)F)ccc2C#N)c2cccc(OC)c2)c1	301477536	BUEMKLMBNGJRDR-UHFFFAOYSA-N	413.399	5.191	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2C(C)C)cc1	303297397	NWONFVVPTZIRBG-SFHVURJKSA-N	418.566	5.808	30	20	HKED	
COc1ccc(Br)cc1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	304093880	XKWXOTUZCDHOJF-ZDUSSCGKSA-N	419.344	5.033	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cc(Cl)ccc1I	410346987	XTROPZHQVOYXQP-UHFFFAOYSA-N	411.670	5.316	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1	437894984	JODGZDXHIZATBD-RCZVLFRGSA-N	411.505	5.084	30	20	HKED	
CSc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl	439316733	NRLCXWUPXVKRJT-GFCCVEGCSA-N	419.959	5.033	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(-n2cccn2)cc1	440608279	DBHLGUZJIMHBDQ-LJQANCHMSA-N	422.488	5.222	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	442810486	NEDJBYBIAXGQNX-MNOVXSKESA-N	419.478	5.132	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	443874880	CRDXTXJBLFRMMX-UHFFFAOYSA-N	409.795	5.077	30	20	HKED	
C=C[C@H](Cc1nc(CC(=O)Nc2ccc(Cl)cc2Cl)no1)c1ccccc1	445362520	CIBRJQRAEUDTFB-CYBMUJFWSA-N	402.281	5.070	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1ccc(COC)o1	460585386	PUSWJMCHMMREKX-OAQYLSRUSA-N	417.513	5.083	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	463142724	FNZKNEOVNKBMLD-INIZCTEOSA-N	402.425	5.337	30	20	HKED	
N#C[C@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1c(Cl)cccc1Cl	464399036	QJAAWIJVOHIKEB-LBPRGKRZSA-N	409.141	5.285	30	20	HKED	
CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1	466591984	CIUCFQBKCCATAV-OAHLLOKOSA-N	420.435	5.398	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)c(F)cc1F	466674400	ZXFQEIHHXUZUPO-UHFFFAOYSA-N	408.246	5.041	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCCc4sccc43)c2)c1	467163170	BSXNLUWYDNYERE-FQEVSTJZSA-N	416.506	5.071	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2cccs2)cc1	469158988	VJQDIWYIYZLGBC-GOSISDBHSA-N	415.562	6.171	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC12CCCCC2	470536014	AJIPXSWFWKFEPQ-LJQANCHMSA-N	422.573	5.094	30	20	HKED	
COc1ccccc1[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)OC(C)C	471575789	VVULQLSBFHEIQS-RUZDIDTESA-N	414.505	5.130	30	20	HKED	
CC(C)(C)OCc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)no1	471755984	HFIHHHBPSGYKBK-LJQANCHMSA-N	423.900	5.551	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccccc1C	471827593	QMPLPTBKRHPFFV-INIZCTEOSA-N	404.539	5.247	30	20	HKED	
Cc1ccc(F)cc1-c1nnc(NC(=O)c2cn(CCCC#N)c3ccccc23)s1	473407435	NCQXRLLRVAKROC-UHFFFAOYSA-N	419.485	5.163	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	474960646	PLISEXAQIZIAAC-UHFFFAOYSA-N	414.490	5.130	30	20	HKED	
COc1ccccc1Oc1ccc(CNC(=O)C[C@H](CC#N)c2ccccc2)cc1	475915654	DSXWUNWWRBGVGO-NRFANRHFSA-N	400.478	5.191	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1csc(I)c1	476117903	KQTIYEQHYPCIGN-UHFFFAOYSA-N	411.308	5.457	30	20	HKED	
C[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccc(C#N)cc1	476325841	SHIFTLJOYJUDBR-OPAMFIHVSA-N	417.488	5.085	30	20	HKED	
N#CC1(F)CCN(C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1	482397619	URQCJAPNSWFNOD-UHFFFAOYSA-N	407.367	5.357	30	20	HKED	
CCCc1c(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)cnn1-c1cccc(C#N)c1	482523544	GETUWHGEWYKQGE-HOYKHHGWSA-N	413.525	5.311	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1C(C)C	482578130	FTBZZOQZEKKMQW-INIZCTEOSA-N	412.415	5.208	30	20	HKED	
Cc1nc2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)ccc2n1-c1ccccc1	483211268	NYDVGPAGOKEBSD-JOCHJYFZSA-N	402.457	5.372	30	20	HKED	
Cc1nc(-c2ccccc2)ncc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	483435757	CWDBZCIPKLMZPU-HNNXBMFYSA-N	404.882	5.205	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)C[C@@H](CC#N)c2ccccc2)n1	483825226	VLANRJHYHZYDLJ-QGZVFWFLSA-N	422.916	5.615	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	487324261	PEQABSLBLFSLCK-INIZCTEOSA-N	421.522	5.170	30	20	HKED	
N#Cc1c(F)cccc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	488862291	VGVRBHYJQLKOHL-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	494344612	BWFPCKBPOMHIFM-UEXNTNOUSA-N	419.550	5.244	30	20	HKED	
O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1C(F)(F)F	499349012	KZBMPGZRLFWIQC-ZDUSSCGKSA-N	413.264	5.340	30	20	HKED	
CC(C)c1ccc(SCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1	499411086	HAQATEPMFTVVCH-SFHVURJKSA-N	403.345	5.046	30	20	HKED	
COc1ccccc1C1(CNCc2cn(CCC#N)nc2-c2ccccc2)CCCC1	500135357	GMJSHGWSZDDWDR-UHFFFAOYSA-N	414.553	5.074	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)cc1Cl	500994153	FYQCVBGEJWMAQW-IBGZPJMESA-N	421.888	5.411	30	20	HKED	
COCCOc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	503202511	TXORRQUIMRYSAD-UHFFFAOYSA-N	403.438	5.020	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1	503367703	PCAHCEFJKRUBKH-UHFFFAOYSA-N	406.486	5.089	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1	503641102	CCDNKVZTYUZKMN-UHFFFAOYSA-N	403.816	5.134	30	20	HKED	
N#C[C@@H](NC(=O)c1occc1CSc1ccccc1)c1cccc(Cl)c1Cl	505339600	WDSZZNSGHWEOLJ-QGZVFWFLSA-N	417.317	5.873	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)nn1-c1cccc(C#N)c1	505805915	ZOKDBQUBLWDFDA-LJQANCHMSA-N	421.504	5.478	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)cc1	506458608	FBPFHXLSMJKLHB-UHFFFAOYSA-N	408.929	5.145	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	511321217	JMXKVWOUBQPHAN-UYOCQKMUSA-N	403.526	5.278	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@@H]1C[C@@H]1c1cccc(F)c1F	511706494	ZHLGWFUFKQFAIE-XJKCOSOUSA-N	421.312	5.090	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	511841804	FVXGVZUDYOUQGJ-UHFFFAOYSA-N	413.477	5.085	30	20	HKED	
Cc1ccc(/C=C/c2cc(C(=O)N[C@@H](C)CC#N)c3cc(Br)ccc3n2)o1	512010483	PSYYDSCRQFUCBW-IYNGYCSASA-N	424.298	5.101	30	20	HKED	
CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccccc2s1	514501991	VKYDKCCCDNTYNM-UHFFFAOYSA-N	413.502	5.414	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc2cc(Cl)ccc2s1	515539169	NQOKTIJQSBEUJK-KRWDZBQOSA-N	424.934	6.080	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cc3c2C1	517520355	AUJFSRUNCHRNLM-JKSUJKDBSA-N	403.551	5.939	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1	518046228	KTFFNXVLLKYOHD-JOCHJYFZSA-N	402.494	5.407	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	518660360	SRTOGCFUMJXCAL-SFHVURJKSA-N	408.567	5.738	30	20	HKED	
Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1	518683381	TXNLREYJVKVUIV-GOSISDBHSA-N	423.582	5.631	30	20	HKED	
CCCN(CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H](C)c1ccccc1OC	521819745	FQJBCTGZTIJPMC-OAQYLSRUSA-N	407.558	5.032	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCNc1ccccc1	521855611	RQPHMUPEWYTVBF-UHFFFAOYSA-N	414.509	5.069	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523421006	KWMUGVGGNAMVBI-XMMPIXPASA-N	414.509	5.342	30	20	HKED	
CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1cccnc1	523768336	NZXLJFIBCVBUPY-JTSKRJEESA-N	418.928	6.005	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)c1nc(-c2ccncc2)cs1	524441295	VXSMHDONDPPHNY-IBGZPJMESA-N	412.518	5.445	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cnccc3Oc3ccccc3)c2)c1	524505456	BNHIVKDJLNNMFE-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
COc1cc(Br)c(CNc2ccccc2S[C@@H](C)CC#N)cc1OC	530913903	CZESOOHBPYPAEI-ZDUSSCGKSA-N	421.360	5.473	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccccc2Cl)nc1	531307644	YFWQVGARPLAKQM-HNNXBMFYSA-N	423.925	6.174	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(Cl)c1Cl	532723440	JPUXZMQUYWEUPZ-ZDUSSCGKSA-N	408.354	5.909	30	20	HKED	
C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1-c1ccc(Cl)cc1	537114287	IIIIZGSSMMAFSZ-OAHLLOKOSA-N	409.942	5.620	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccccc3Oc3ncc(Cl)cc3Cl)cc2)CC1	537433594	CRKPCHUHKGRNCP-UHFFFAOYSA-N	424.287	5.988	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1	537902419	BRJZIGWVTVAKLW-XUZZJYLKSA-N	414.530	5.217	30	20	HKED	
C[C@H](Sc1cccc(Cl)c1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	540042763	REKOVNNJFOEGAV-JTQLQIEISA-N	413.911	6.035	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCCn2ccnc2)CC1	543965859	OBZUVDDWAXZYQG-GOSISDBHSA-N	411.575	5.002	30	20	HKED	
Cc1nc(C2CC2)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	546070751	JIIQAXYNNPVRLV-UHFFFAOYSA-N	407.857	5.217	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	552187452	YCFROXZBOAXZJU-OAHLLOKOSA-N	420.740	5.654	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H]1c1cccs1	554392105	DQJOGLOPPDKMMF-MRXNPFEDSA-N	409.433	5.176	30	20	HKED	
CC(C)(C)N1CC[C@H](NCCCC2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1	558894374	IOTXRTKFGAXWCN-SFTDATJTSA-N	421.988	5.083	30	20	HKED	
C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2cccs2)C1	561008383	SPHHZYFVFRDJMJ-PMACEKPBSA-N	408.571	5.036	30	20	HKED	
N#Cc1ccc(CNCC2(c3ccc(Cl)cc3)CCOCC2)c(C(F)(F)F)c1	563753774	GVLUGBHXIMBRLR-UHFFFAOYSA-N	408.851	5.068	30	20	HKED	
C=C[C@](C)(CCOC)c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1	564685587	HWPPYBWFTUXKAT-HXUWFJFHSA-N	419.403	5.423	30	20	HKED	
CCCN(C(=O)Cc1c(F)cccc1C#N)[C@H](c1cccnc1)c1ccc(F)c(C)c1	570479096	AEFMBMUMZBKEAT-VWLOTQADSA-N	419.475	5.111	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)c1C#N	570587320	DUYJVIPRIBHIPC-UHFFFAOYSA-N	417.962	5.059	30	20	HKED	
CC(C)(c1noc(-c2cnc(C(F)(F)F)c(C#N)c2)n1)c1cccc2ccccc12	574766281	IJLPPNZQUWBZSE-UHFFFAOYSA-N	408.383	5.501	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)ccn1	577251808	BAGNGSLSTDSYKO-UHFFFAOYSA-N	405.841	5.001	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cc2)cs1	589846000	SNVQWQPUPXWXQJ-ROUUACIJSA-N	418.566	5.105	30	20	HKED	
COc1ccc(COCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	603785156	WJGPSKPRHANQGI-QFIPXVFZSA-N	420.896	5.159	30	20	HKED	
C=CCc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc(OC)c1OC	603968943	OKHXFKJGGAONMR-UHFFFAOYSA-N	404.491	5.285	30	20	HKED	
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	604044604	YCHDAQUDWLVFJJ-PMACEKPBSA-N	413.521	5.124	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)s3)[nH]c12	605363052	FGDKINKNTKUARI-ZDUSSCGKSA-N	414.515	5.700	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1occc1COc1cccc(C#N)c1	608804701	GFPYUQLQOUOOSA-UHFFFAOYSA-N	414.383	5.021	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccsc1	609079104	ITFURWRNQVMVLR-QHCPKHFHSA-N	417.534	5.876	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n[nH]1	609549013	VOBOUURTJMMWAS-UHFFFAOYSA-N	424.460	5.196	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)cc2)cc1	609929014	VGYPRNOIXNZWBE-HXUWFJFHSA-N	415.468	5.586	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	609931183	IDQXTNACLAYWRZ-UHFFFAOYSA-N	405.885	5.455	30	20	HKED	
COC(=O)C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(C(C)(C)C)cc1	610014632	IDTWBBRCLXRVGN-NRFANRHFSA-N	421.541	5.211	30	20	HKED	
C[C@@H](CC(=O)NCCSCc1ccccc1C#N)c1ccccc1C(F)(F)F	610169050	QBDOUNRKNRJETM-HNNXBMFYSA-N	406.473	5.120	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1cccc(Br)c1	610760737	UMABTAVSGKZBRM-LEWJYISDSA-N	411.343	5.070	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc4c(cnn4C(F)F)c3)c2)c1	610959400	WNMTUEBXYZVZGB-UHFFFAOYSA-N	404.420	5.494	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc4c(cnn4C(F)F)c3)cn2)cc1	610962482	OROICWIEHMNNNA-UHFFFAOYSA-N	420.379	5.134	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1	611051329	LXFNUIVTPWLEBS-UHFFFAOYSA-N	414.852	5.128	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1nc(-c2ccccc2)cs1	611094358	GCSLTYCNCIXDOT-NSHDSACASA-N	402.306	5.480	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C	615971736	SCBLDKZTKBMEPZ-UHFFFAOYSA-N	411.908	5.039	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)o1	623329830	YHBGQSOCVWPMTH-AWEZNQCLSA-N	402.516	5.238	30	20	HKED	
C=C(C)[C@@H](CO)Sc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1CC	677131189	NCDXFJGTCNZKKQ-JOCHJYFZSA-N	416.550	5.209	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1-c1ccccn1	677258604	PHUKXCXDHSJEOU-INIZCTEOSA-N	419.893	5.510	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(F)c(F)c1	681328326	HYFHVBNLRYBATM-IERDGZPVSA-N	411.452	5.312	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)N[C@H](C)c1cccs1	727978800	MRBDBKJYURDODN-MRXNPFEDSA-N	407.564	5.555	30	20	HKED	
Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	728440697	RUEURHCFHKCQHT-IHWYPQMZSA-N	417.136	5.661	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=S)Nc3ccc(Cl)cc3Cl)c2)cc1	729159976	FFAGSYVMAPJTRV-UHFFFAOYSA-N	414.317	6.466	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc2cc(F)ccc2s1	730422490	SGPUCFUEGSLDRW-GJSZBTHVSA-N	424.806	5.997	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)nc(N4CCCC4)c3)n2)cc1	733052476	KLLIVSYCLDOTMI-KRWDZBQOSA-N	422.941	5.257	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2C)c1	733845745	XCKRCRITGTXVAN-HXUWFJFHSA-N	415.493	5.790	30	20	HKED	
C=CC[C@H](NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1)c1ccncc1	734234608	RRNIDKAVGUZXQH-FQEVSTJZSA-N	420.513	5.036	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1ccncc1	734237807	UZWHMMSWHQHQHV-JOCHJYFZSA-N	410.477	5.154	30	20	HKED	
COC(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(Cl)c1	735508027	RRYSAGMBQIDTGP-JOCHJYFZSA-N	424.859	5.256	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN(CC)[C@@H](CC)c2ccncc2)c1=S	739888396	TYUKAPKTQACGAX-NRFANRHFSA-N	407.587	5.017	30	20	HKED	
COc1ccc([C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C2CC2)cc1	740025508	HJJXIMZPTLMVKK-QHCPKHFHSA-N	417.534	5.246	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1C(F)(F)F	744371179	NCPDBYYXIIPDOA-UHFFFAOYSA-N	424.304	5.034	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccc2ccc(Cl)cc2n1	745058737	OJHPDCGXIVXKNC-KHPPLWFESA-N	407.857	5.024	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(C)c(-c2ccccc2)s1	745260872	IZMHVOXFCYWAFF-UHFFFAOYSA-N	408.483	5.247	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2)cc1	746890008	GBRQSGIJQUJGQF-UHFFFAOYSA-N	424.913	5.313	30	20	HKED	
COc1cc(F)c([N+](=O)[O-])c(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	747204685	ZXELPHMLFGYJSH-HTQZYQBOSA-N	404.282	5.064	30	20	HKED	
CCOCc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)ccc1OC	747612554	FUYPIQCEGMVZFY-ONNFQVAWSA-N	406.434	5.086	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1OC	748754843	HMDJEBVWTQZNNV-UHFFFAOYSA-N	420.534	5.137	30	20	HKED	
C[C@@H](CCC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	750312958	LVPWJGMBIOUDNB-YOEHRIQHSA-N	405.523	5.036	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](c1ccccc1)n1cccn1)c1nc(-c2ccc(Cl)cc2)cs1	750668179	PAIVLXUWYUEZGD-AZUAARDMSA-N	418.909	5.126	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1C#N	752303277	OESHCMQWACAVBA-UHFFFAOYSA-N	421.284	5.097	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1)c1ccccc1	757039292	NQEGRIKRVKGUKS-JBACZVJFSA-N	415.578	5.029	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)c2ccccc2SCC#N)c1C	759842178	HKOWBLPJRFDSFD-UHFFFAOYSA-N	418.518	5.451	30	20	HKED	
C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761064905	LGFBCAAREFDWSY-LBPRGKRZSA-N	416.264	5.152	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	761665891	ZXKOCQAXKRXEIX-GOSISDBHSA-N	421.394	5.506	30	20	HKED	
N#CCOc1cccc(Cc2nc(-c3ccc(Oc4ccccc4F)c(F)c3)no2)c1	762234697	MFZFZMISURKDIO-UHFFFAOYSA-N	419.387	5.300	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	772669251	FADNNHVYVKZZLR-SJKOYZFVSA-N	409.338	5.450	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)c4ncc(C#N)cc4Cl)cc3C2)cc1	772893357	WCTBEZMGDULJSG-UHFFFAOYSA-N	416.912	5.503	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1	775470882	WOMJYDOJTSKLRG-UHFFFAOYSA-N	424.353	5.402	30	20	HKED	
Fc1ccccc1-c1ccc(C=Nn2c(S)nnc2CSc2ccccc2)o1	782245158	NYQRQDSXNHOYDD-UHFFFAOYSA-N	410.499	5.140	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccccc2Br)CC1)c1cc(C(F)(F)F)ccn1	797287650	UHDXZOCZEFJOOC-CQSZACIVSA-N	423.232	5.062	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)OC(C)(C)C	797572540	BVMJBTDEGPPULV-OAHLLOKOSA-N	413.543	5.586	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	799602108	HHOCZYLBJRCSTM-OAQYLSRUSA-N	412.489	5.176	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	799908595	YJBGTBBCXNRLNG-UHFFFAOYSA-N	418.474	5.173	30	20	HKED	
O=C(c1ccnc(C(F)(F)F)c1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	808423823	WLTKQBFAKQTZMF-UHFFFAOYSA-N	420.328	5.220	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@H]1CC[C@@H](C#N)CC1	809091752	LSNKLOLHGLDSJY-OAGGEKHMSA-N	418.946	5.490	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc(Cl)cc1	810186408	VCLYFPJEYHWDBM-KPURRNSFSA-N	422.937	5.144	30	20	HKED	
O=C(OCc1nc2ccccc2n1C(F)F)c1c(F)cc(C(F)(F)F)cc1F	811417287	WAEHPLVYNYCUGX-UHFFFAOYSA-N	406.257	5.085	30	20	HKED	
CC(F)(F)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	816050198	IOJHTDRMOLWMHE-MRVPVSSYSA-N	403.191	5.099	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1c(Cl)ccc(Cl)c1Cl)CCCC3	818209183	RNDPFEVOYSLXBD-UHFFFAOYSA-N	412.729	5.179	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1	915293414	LESMVCQDQJJOKX-XMMPIXPASA-N	421.500	5.958	30	20	HKED	
Cc1nc(NC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)sc1SCC#N	916088363	HPGBVKUZLLXPDQ-DJWKRKHSSA-N	417.865	5.391	30	20	HKED	
COc1cccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)C(=O)c2ccccc2)c1	916156048	BCPIKKBMWKXAEN-KGENOOAVSA-N	423.415	5.202	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1[C@H](C)c1ccccc1	916884811	HEWGDFSPZXMLHP-OPAMFIHVSA-N	419.912	5.329	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(F)c(-c2cccs2)c1	917542648	JSQRIKUDFNMDJL-UHFFFAOYSA-N	424.526	5.382	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(F)cccc3Cl)n2)cc1	920138370	FVNHIDDPOFOYJY-HNNXBMFYSA-N	400.862	5.030	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccccn3)CCC2)cc1	1789624278	TWBPZNOBOHZJHU-UHFFFAOYSA-N	419.569	5.141	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(C)cc3s1)C2	1798338203	XQGCEDUAXPAOOL-PLACYPQZSA-N	422.594	5.230	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2cccc(Cl)c2)c1	22730603	JOJTWEFBIMXWLA-UHFFFAOYSA-O	401.964	5.357	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccco1	29547848	UPMFQMWAVFPSLU-UHFFFAOYSA-N	424.570	5.702	30	20	HKED	
COc1ccc(SCCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	32289935	HXBLPIAPRGOPTF-UHFFFAOYSA-N	418.518	5.267	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	56470509	MTQSMJVRRYCZMI-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
COc1cc(OC)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl	59994488	HWPQHULCYJNCRI-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1SCC(F)(F)F	63390330	LTGOJFKQLIILKK-UHFFFAOYSA-N	405.445	5.433	30	20	HKED	
CCCC(=O)Nc1cccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	97547320	ZMOPFNGYFIYGBG-UHFFFAOYSA-N	413.477	5.019	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccccc1Cl	303382219	MUDUUEBRCQYBRX-HOTGVXAUSA-N	401.963	5.223	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1	303677088	QSKYREKLLIXDTC-UUOWRZLLSA-N	402.469	5.279	30	20	HKED	
C=CCn1c(SCc2ccccc2OC(C)C)nnc1[C@@H]1COc2ccccc2O1	409990831	GFQHPDLHGJCANQ-NRFANRHFSA-N	423.538	5.056	30	20	HKED	
CC(C)N(CC#Cc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(F)(F)F	427023832	SHHTZRBLHQEINW-UHFFFAOYSA-N	408.851	5.059	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1	429799526	DYKYFQLHMBQDAG-UHFFFAOYSA-N	418.956	5.211	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cn(CCCC#N)c3ccccc23)C2CC2)o1	434971028	GQQXPIATPROASA-DYESRHJHSA-N	401.510	5.466	30	20	HKED	
CC(=O)Nc1ccccc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	435565050	JGOTVZTYJKGCLE-OAQYLSRUSA-N	417.896	5.135	30	20	HKED	
CCc1ccnc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	436340730	UWXQMSXAFJSGEW-OAQYLSRUSA-N	404.901	5.275	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1	436977218	DFAFVXHPFMTMFM-QGZVFWFLSA-N	413.502	5.695	30	20	HKED	
N#Cc1cccc(NC(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1	437659909	YUJWAADKOQLXEH-UHFFFAOYSA-N	404.297	5.188	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	437750845	JYBPHRJENUHVPN-RPWUZVMVSA-N	424.504	5.243	30	20	HKED	
CN(CCc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	437983090	DQSWYKSPADUUDW-UHFFFAOYSA-N	409.486	5.044	30	20	HKED	
CCCc1c(NC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cnn1-c1cccc(C#N)c1	439684048	VWWWKTMOMBCPFC-RXVVDRJESA-N	413.525	5.106	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1C(F)(F)F	443881001	RHPCFSCWQFKFHK-UHFFFAOYSA-N	421.831	5.535	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	444000750	FPNWYKXKEPSHIF-HNNXBMFYSA-N	413.502	5.328	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)s1	444104154	JTZGXKFKBUYGKE-ZDUSSCGKSA-N	406.349	5.065	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCSc2ccccc21	460173087	YPJAJLXZRAKHHN-JOCHJYFZSA-N	414.530	5.664	30	20	HKED	
N#Cc1ccc(CN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C2CC2)cc1	461900472	KSKRDAGBMMNVSG-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cncc3ccccc23)cc1	462440744	MCVCEPORSSZLFT-UHFFFAOYSA-N	421.500	5.451	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1C1CC1	466742125	DVSXGKDOYNUWIC-SNVBAGLBSA-N	422.341	5.552	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)C1(C#N)CCCC1	466911450	SMLOOANVSMOFOM-CYBMUJFWSA-N	418.360	5.142	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c2ccccc21	467884182	YIKFZMTXDBDCTO-UHFFFAOYSA-N	423.919	5.699	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)cc1	468318767	VHSRCVUPNFHWCO-SFHVURJKSA-N	421.545	5.325	30	20	HKED	
COc1ccc(-c2nc(CSCc3cc(F)ccc3C#N)cs2)c(OC)c1	469327524	YPRODLBETYGPOJ-UHFFFAOYSA-N	400.500	5.271	30	20	HKED	
CC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nc1	469412981	ZKIUYQUFCGEUQP-UHFFFAOYSA-N	409.433	5.146	30	20	HKED	
C=CCN(C(=O)c1nccc(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	470737638	PQUPDEZWAWFUFD-UHFFFAOYSA-N	412.518	5.408	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(Oc2cccc(Br)c2)ccn1	471169360	ODLLXNGKCBZTJR-UHFFFAOYSA-N	416.319	5.181	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	471272866	MSOFSQXJTKZZHY-CXAGYDPISA-N	421.394	5.081	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1	473553267	NKNCSPPWNVNUBA-OAHLLOKOSA-N	405.498	5.038	30	20	HKED	
CC(C)n1c([C@@H]2CCCN2C(=O)C[C@H](CC#N)c2ccccc2)nc2ccccc21	476155213	OQQYSNHHWKYNCX-REWPJTCUSA-N	400.526	5.368	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1	478660382	MVVABAUMNHOTGM-INIZCTEOSA-N	406.448	5.043	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1c1ccccc1	480281902	GTMJQCXNZJBSAE-UZUQRXQVSA-N	410.477	5.035	30	20	HKED	
Cc1cccc(C)c1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	480795549	NGHVJQDUYXSCTE-FQEVSTJZSA-N	417.896	5.190	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)c2)cc1	482072810	GRHZOWFANBTGJT-UHFFFAOYSA-N	423.428	5.448	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	487638165	QQBRAJROSRTNCJ-LJQANCHMSA-N	420.563	5.391	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	489788300	GZSMXFWMJSGWCI-INIZCTEOSA-N	409.511	5.038	30	20	HKED	
CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CC1	496311863	NOKGKFHQVBGFDL-UHFFFAOYSA-N	408.449	5.031	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cccc(Br)c3)n2)cc1	505751628	VASZEXFHCDYUPJ-INIZCTEOSA-N	412.312	5.127	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1csc2ccccc12	506722108	NRYWRBWXOOLGLC-UHFFFAOYSA-N	421.503	5.070	30	20	HKED	
Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	508098489	WUYQHKWNZJOTHY-UHFFFAOYSA-N	401.514	5.226	30	20	HKED	
CN(CC(F)F)C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F	508645106	KFFNCBZTUGZAMQ-UHFFFAOYSA-N	424.316	5.182	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	510289454	XPJZLSDWHMYOET-GFCCVEGCSA-N	411.811	5.378	30	20	HKED	
Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	511270653	ZYAYNLKCXRQLIE-OAQYLSRUSA-N	402.523	5.283	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1Cl	511512110	JSXAJYKIMMEIQA-HNNXBMFYSA-N	418.884	5.347	30	20	HKED	
C[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1F	512647300	HKIBWXMZZIKTOL-GFCCVEGCSA-N	405.420	5.690	30	20	HKED	
N#Cc1cccc(NC(=O)CNc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1	515445399	RJUUMZDBLCDWAG-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(OCc4cccnc4)c3)cc2)c1	517510941	BENZRKQGUGOVBD-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)s1	517529949	LGCVTLORTVDCNO-LLVKDONJSA-N	410.362	5.227	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	517531462	GWGFBNVEMYAGTJ-MRXNPFEDSA-N	405.523	5.564	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1	517964447	KFPOLATYTPVYCQ-UHFFFAOYSA-N	402.376	5.026	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)cc2)c1	518256193	PPWYELUEJQIBED-BJKOFHAPSA-N	413.477	5.392	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	518651702	AIQAZEGROOYVDK-UHFFFAOYSA-N	420.460	5.315	30	20	HKED	
COc1cc(C)c(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	518754481	OGYLJCAUJAOHHB-INIZCTEOSA-N	413.543	5.070	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(C)o4)n3)n2)cc1	518798704	PSHBNIKYBBZIOW-HNNXBMFYSA-N	405.504	5.634	30	20	HKED	
CCOc1ccc(-c2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cs2)cc1OC	520173747	YZOBRYZHTXHJLL-UHFFFAOYSA-N	421.566	5.500	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1	520476388	MVAGRUPEYNUYCV-XMMPIXPASA-N	417.940	5.921	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	521746279	FCOATJOPUGZLQH-HTAPYJJXSA-N	418.566	6.179	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	523154969	PRLNUSLZHPYTIQ-UHFFFAOYSA-N	404.857	5.166	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F	525044075	ZZIYDICTZRNGBW-IRLDBZIGSA-N	420.434	5.621	30	20	HKED	
N#CCCCOc1cccc(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)c1	532895961	ZPKPWMXZXJKVTH-GDLZYMKVSA-N	410.583	5.563	30	20	HKED	
CC(=O)N(c1nc(CN(CCC#N)Cc2ccco2)cs1)c1c(C)cc(C)cc1C	533763081	WVXWLXACDILMEU-UHFFFAOYSA-N	422.554	5.262	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCC(F)(F)CC2)cc1Cl	534896594	HOYITIGTJAOUOK-GOSISDBHSA-N	403.860	5.695	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)CC2)cc1Cl	536399905	KHLNQVWOZONLIO-HXUWFJFHSA-N	423.944	5.094	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1cccc(Cl)c1	537114441	QXHDTQMAOVPJBS-HNNXBMFYSA-N	401.963	5.055	30	20	HKED	
C=CCC[C@H](NCc1csc(N(C(C)=O)c2ccccc2OC)n1)c1ccccc1	537155807	FIRQPDRFVBWYHH-NRFANRHFSA-N	421.566	5.633	30	20	HKED	
Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n(-c2cccc(C(F)(F)F)c2)n1	537397532	ACKXYCFJPVVQTM-UHFFFAOYSA-N	410.399	5.007	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	540377320	MCPPPTLUMLMKMJ-INIZCTEOSA-N	408.552	5.508	30	20	HKED	
O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@@H](c1cccc(F)c1F)C(F)(F)F	542389077	DXWNPODPKHXLME-ZDUSSCGKSA-N	420.288	5.204	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)C2CC2)cc1	542409686	YJIPDVOMMFUCPU-HSZRJFAPSA-N	416.912	5.070	30	20	HKED	
COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	543961440	JSQDCRJTRJSRTH-DLBZAZTESA-N	404.485	5.793	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1	544379902	PNJZHQGHXCZNGE-OWWUNANSSA-N	401.485	5.162	30	20	HKED	
CO[C@H](c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1)c1ccccc1Cl	545811498	VRPBOOVXLGALAH-FQEVSTJZSA-N	418.840	5.185	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1	554486132	ZLBDQJYGBRSLJR-UHFFFAOYSA-N	411.346	5.098	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	564171502	YFLHSIYNHZIXQQ-HNNXBMFYSA-N	407.775	5.627	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C1CC1	564441074	KWIITTBHPVGZCR-OAHLLOKOSA-N	416.485	5.434	30	20	HKED	
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	570992953	FXTIUNFUZIIIJS-IBGZPJMESA-N	415.493	5.156	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccccc1	571485701	RURQEXYQDBOZPR-LJQANCHMSA-N	406.555	5.107	30	20	HKED	
C=C(C)COc1cccc(N[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1	589633141	IWPVJUTZZMRONC-DEOSSOPVSA-N	402.494	5.442	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c3c2CCCC3)cc1	595127371	OEWWFHVBMJJAJI-NRFANRHFSA-N	406.489	5.098	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	601888427	PUZGMPXHHRNSCS-GJZGRUSLSA-N	414.434	5.674	30	20	HKED	
COc1cc(C)ccc1OCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603758842	KZPFMAVMMMHOJL-FQEVSTJZSA-N	420.896	5.330	30	20	HKED	
N#Cc1c(SCc2nc(-c3ccccc3)no2)nc2c(c1-c1ccco1)CCC2	603818654	YDGRTKUHGMMNCN-UHFFFAOYSA-N	400.463	5.044	30	20	HKED	
C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	604312963	UIUXVRPHJRPKPD-LJQANCHMSA-N	421.610	5.091	30	20	HKED	
N#Cc1c(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)sc2c1CCCCC2	609215561	NGXJYZQPFMVGQA-UHFFFAOYSA-N	411.914	5.378	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	609261832	BTYRFEGRJHIWAN-NRFANRHFSA-N	410.445	5.317	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1	609315918	RAKRAFMQROVOTB-DZGCQCFKSA-N	424.957	5.321	30	20	HKED	
N#CCc1cccc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1	609455605	JBTWZCDOKILVGA-UHFFFAOYSA-N	415.537	5.255	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1	609712500	SJQCJUXQBDTYEL-INIZCTEOSA-N	423.872	5.135	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(Oc4nccs4)c3)cc2)c1	609907554	IGLSJEIFQHADBY-UHFFFAOYSA-N	413.458	5.852	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F	610240150	IDLOSMHXMZDZDK-HWPZZCPQSA-N	401.215	5.497	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)c1cccc(C#N)c1	610348213	LPJMZWCWJXAYOR-VBKZILBWSA-N	412.331	5.222	30	20	HKED	
C[C@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1cccc(C#N)c1	610361017	NDRACTWXWZNWOL-JTQLQIEISA-N	408.832	5.936	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)C1	612307452	IYCWASKKCAQIAF-LJQANCHMSA-N	422.382	5.189	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc(-c2ccccc2)cs1	613392536	SCHNUUBUIKDDOC-QGZVFWFLSA-N	404.491	6.168	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	613407312	QIKNBCIMCVXMJG-LJQANCHMSA-N	413.889	5.978	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2o1	614439805	LHGKCCAIFDULBZ-LJQANCHMSA-N	404.429	5.171	30	20	HKED	
O=C(NCc1c(F)cccc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	621421784	IMTXNXTZYBDTMK-IUCAKERBSA-N	420.756	5.188	30	20	HKED	
COC[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F	672601576	LZNALWYHYXOSMN-RULNRJAQSA-N	421.784	5.666	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCOC[C@@H]1c1ccco1)c1ccc(C(F)(F)F)cc1	676727757	ZIGOCTSIQAXYMU-ZWKOTPCHSA-N	408.420	5.089	30	20	HKED	
COc1cccc2c1OCC(C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)=C2	726321514	IMPSVRZECNWFOT-QGZVFWFLSA-N	422.893	5.124	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2C#N)cc1Cl	726485899	XEMJFTXTVZLZIA-UHFFFAOYSA-N	402.910	5.487	30	20	HKED	
CCc1ccccc1N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S	726802050	REKXLUMIIRFSHO-HMMYKYKNSA-N	408.548	5.337	30	20	HKED	
CCN(CC)Cc1cc(C(C)=NNc2ccc(OCC(F)(F)F)cc2)ccc1O	727262413	PGMGMGGQOHAUNU-UHFFFAOYSA-N	409.452	5.011	30	20	HKED	
COc1cc(/C=C2\CCc3nc(-c4ccc(C)cc4)sc3C2=O)ccc1OCC#N	727655000	RAWMRWZKORKKMV-QGOAFFKASA-N	416.502	5.242	30	20	HKED	
Cc1ccc(F)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	727978719	LWUSSJFCGADUDC-UHFFFAOYSA-N	405.498	5.702	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1c(Cl)nc(Cl)n1C	728440757	TZOAOFPGUASTCT-FPLPWBNLSA-N	412.729	5.708	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1	730171805	BAIPTFMAOGUHHD-UHFFFAOYSA-N	400.406	5.171	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl	730688557	ZBRKNHZURCQHNZ-RISCZKNCSA-N	409.700	5.173	30	20	HKED	
N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2ccccc2s1	730917731	QFLQNGNEIFWZMA-SFHVURJKSA-N	414.486	5.131	30	20	HKED	
C#CCOc1cccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	730977781	CFCMHQVRNFYFKG-UHFFFAOYSA-N	416.424	5.022	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCCC4)c(F)c3)cc2)cc1	731975432	ABILLGIDYRSMIX-UHFFFAOYSA-N	415.468	5.537	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nc2cc(Cl)ccc2s1	733052505	LCLBWKLYVHVWDE-ZDUSSCGKSA-N	417.321	5.088	30	20	HKED	
C#CC[C@H](OC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccccn1	733692008	DVMKZMQUGBRAGT-QHCPKHFHSA-N	405.881	5.164	30	20	HKED	
C#CC[C@@H](OC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1ccccn1	733693157	VHEDPIGOVBFBIT-JOCHJYFZSA-N	409.445	5.028	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1	734240330	MPDMKZBBFGUHSC-HYBUGGRVSA-N	413.562	5.011	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cc1	734348262	OFNDZJBGUKCHNM-UHFFFAOYSA-N	409.445	5.111	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)c1ccncc1	734660334	PIKFJDFPTBGDHT-PMACEKPBSA-N	414.347	5.302	30	20	HKED	
Cc1cc(F)ccc1N1CCC[C@H](SCc2cc(Cl)ccc2OCC#N)C1=O	735319801	DGLQAIRTTFMXRP-FQEVSTJZSA-N	418.921	5.119	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)Cc2csc(-c3ccoc3)n2)cc1	738849267	BMWJFXLZLZXGQZ-UHFFFAOYSA-N	400.459	5.228	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	744025985	QPTNLKSCPOXNNA-UGSOOPFHSA-N	420.456	5.057	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2F)cs1)c1ccc(F)cc1F	745999117	ZRFYAOVQHVQCJZ-VQHVLOKHSA-N	402.397	5.141	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3nc(S)oc3c2)cc1	746017898	OUEVTVWEOJISBB-UHFFFAOYSA-N	415.474	5.014	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)O[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	748416667	RUTXUJNRNATNKN-NSHDSACASA-N	402.237	5.142	30	20	HKED	
COc1cc(C=NOCc2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1OC(F)F	759110501	JYWYWYPUGAGUQC-UHFFFAOYSA-N	422.815	5.464	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCC(F)(F)F)c2)cc1	770148417	YUENZNASAPPALR-NRFANRHFSA-N	410.395	5.535	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)c1	776516825	NZNPQSCQVBRLTE-HXUWFJFHSA-N	402.450	5.040	30	20	HKED	
CC(=O)N1C/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)c2ccccc2C1	778520090	NWHMHLSYLXVXKV-HYARGMPZSA-N	415.464	5.033	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(C(c3ccccc3)c3ccccc3)no2)cc1	782226414	ODVOXWZSJZRPRM-HSZRJFAPSA-N	406.489	5.463	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)n1	790110405	RPAWBSKJBRBKHA-JOCHJYFZSA-N	423.969	5.052	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nccc4ccccc34)c2c1C	792095746	LXWZLYWJZQOEBI-KRWDZBQOSA-N	418.547	5.215	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3ccc(C(F)F)cc3)SC2=S)cc1Cl	794859563	WTBBADALMSABGN-VIZOYTHASA-N	406.866	5.555	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)s1	797572429	ZNYOGUGXVCEJMK-CQSZACIVSA-N	410.436	5.507	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl	804464998	YWEYTBWXFQGLOR-FPYGCLRLSA-N	413.823	5.062	30	20	HKED	
N#Cc1c(NC(=O)c2cnn(Cc3ccccc3)c2Cl)sc2c1CCCCC2	807943759	KHEJCVKHBUIYGZ-UHFFFAOYSA-N	410.930	5.039	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc3cc(O)ccc3c2)cc(OC)c1OCC(F)F	809156440	BOOVXRJDALNDFX-BAQGIRSFSA-N	414.404	5.103	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1ccc(C#N)o1	815696104	XRVWRZMFIOLGJW-UHFFFAOYSA-N	402.429	5.449	30	20	HKED	
C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)nc1Cl	817871583	ZENGEAFOTUKKMW-ZETCQYMHSA-N	414.708	5.403	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc1	904480538	VDIICARBCAWYFX-UHFFFAOYSA-N	419.488	5.603	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)o2)cc1	915085369	AWEBUUOFIXZCRS-XMMPIXPASA-N	420.468	6.057	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(OC(F)F)cc3)n2)cc1	915099893	FWJUGGODNIRUCT-GOSISDBHSA-N	412.461	5.529	30	20	HKED	
O=S(=O)(Nc1ccccc1)c1cccc(N=Cc2c(O)ccc3ccccc23)c1	915271274	QWVJAPWZAKPBJT-UHFFFAOYSA-N	402.475	5.097	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)on2)cc1	915282152	HBQPIPBCYBPTOM-QGZVFWFLSA-N	419.893	5.964	30	20	HKED	
CC(C)c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1	916312788	OSJIPJCQOKRSJB-UHFFFAOYSA-N	422.945	5.079	30	20	HKED	
COc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(Cl)cc1	916546364	NHKUVELVMUTBQC-UHFFFAOYSA-N	408.914	5.268	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1	916844635	RXRXXFKUNCMRPI-GJBLVYBDSA-N	423.316	5.490	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12	916916437	SRONKFWYDPHICK-LJQANCHMSA-N	408.910	5.074	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc(Cl)cc2)cc1	916948028	RCQWUMOTSJSCAJ-YWZLYKJASA-N	410.901	5.164	30	20	HKED	
C=CCSc1nc2ccccc2n1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	918735389	MMKZXVJANWCSCQ-STQMWFEESA-N	423.426	5.335	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C(C)C)cc3)n2)cc1	920138139	AREDWAVBARGRBY-FQEVSTJZSA-N	406.507	5.197	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(F)cc2)cs1	920361442	NVGMCEGXPINZQC-UHFFFAOYSA-N	422.407	5.432	30	20	HKED	
CSc1nc(O)c(C(=O)N(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)cc1C#N	1533451302	UHKWBMRIOQCTGW-AZUAARDMSA-N	413.587	5.124	30	20	HKED	
CC(C)c1sc(NC(=O)CN[C@H](C)c2cccc(C#N)c2)nc1-c1ccccc1	1644466618	ZNUFXBQFNOQRTN-MRXNPFEDSA-N	404.539	5.094	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5o4)CCC3)cc2)C1	1785807409	ARKDLLWTGNVUQI-UHFFFAOYSA-N	400.478	5.147	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC(F)(F)F)CCC2)cc1	1789453333	WLQFJPZTSYAWEU-LJQANCHMSA-N	422.491	5.622	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1	1791587829	PITZRJPUITYRFV-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1	11164613	ZXIDQNGWAKCEIU-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CN(CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1	30014741	TYXUOVOHQJSZSW-UHFFFAOYSA-N	415.562	5.107	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)c3ccccc3C2=O)cc1	72235931	TYYFUENSFGPGMS-BWAHOGKJSA-N	421.500	5.073	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccccc2OCc2ccccn2)cc1Br	96942842	PELSQSCNSDQBBW-LUAWRHEFSA-N	424.294	5.328	30	20	HKED	
C=CCn1c(SCc2ccc(OC)c(Br)c2)nnc1-c1ccoc1C	247993399	BSRDRMGXPGNNCX-UHFFFAOYSA-N	420.332	5.096	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cccc2ccccc12	303367625	JBEVUQMBCNTIKY-SFHVURJKSA-N	403.551	5.305	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cnccc2-c2ccccc2)cc1	429223363	VVWFEQZQVRNSIM-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	429683215	KOHIWQRAHWGRJD-DGCLKSJQSA-N	417.943	5.099	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c(Cl)c1	430372728	SJSUNYHOAYETQV-UHFFFAOYSA-N	418.909	5.404	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H]1c1nc2ccccc2s1	433948906	OCTVBTHAQSXWNQ-VQIMIIECSA-N	411.596	5.098	30	20	HKED	
CCCCCn1nc(C)cc1NC(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC	439339151	YOVXGEZPPHHMRA-UHFFFAOYSA-N	419.533	5.036	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1	442068743	URGTVZCMRBMBGY-GFCCVEGCSA-N	406.255	5.146	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2c1	443576304	JYBPSKAFTNUUFS-RCZVLFRGSA-N	411.505	5.033	30	20	HKED	
CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	443581124	UGEIVWSZNYBDME-UHFFFAOYSA-N	416.403	5.035	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)s1	443796907	BXAVFZZPJKNUBA-OLZOCXBDSA-N	417.600	5.577	30	20	HKED	
Cc1sc(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c(C#N)c1C	443824392	PFKYFFBCPPFDJY-UHFFFAOYSA-N	418.453	5.345	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(Cl)cc2-c2ccccc2Cl)c(Cl)c1	447626433	KQXXLTBFYCHEMJ-UHFFFAOYSA-N	402.668	5.833	30	20	HKED	
CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1	461491869	WNCLYLWFLSTSNO-RTBURBONSA-N	423.611	5.037	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1cccc(C#N)c1	462253974	GGKBPHDTFUANDN-CYBMUJFWSA-N	412.276	5.795	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1SCCc2ccccc21	463486309	YTYVAEDEOJCIBZ-DEOSSOPVSA-N	414.530	5.415	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCn4c(cc5ccccc54)C3)cc2)c1	463758833	CTDRHWJINVRFEU-UHFFFAOYSA-N	408.461	5.353	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	463777644	VCEFUAPYVKAOCM-QGZVFWFLSA-N	419.699	5.136	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2)c1	464429438	VPWFYEJLYUEZNB-HXUWFJFHSA-N	421.378	5.041	30	20	HKED	
C=CCN1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)CC1	465132704	RYQMXFPPBUIDKO-UHFFFAOYSA-N	405.325	5.166	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1	468875502	GCZRLDXMFHNSIL-DOTOQJQBSA-N	404.539	5.454	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(F)c(C(F)(F)F)c3)ccc21	468896483	JFYCFLAXQGNBBZ-UHFFFAOYSA-N	405.395	5.040	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4c(Cl)cc(Cl)cc43)ccc21	469284917	UJKYMJTVIMDQHV-FQEVSTJZSA-N	414.336	5.676	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H](c2ccsc2)O1	470600979	NKARCQYSTBWAHR-IIDMSEBBSA-N	401.557	5.136	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1	475175215	PUPDJSCEXHMFOG-CQSZACIVSA-N	422.381	5.316	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc(F)c(F)c1	477747921	VKJMKPIVUJIARK-NRFANRHFSA-N	422.422	5.113	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1	479666714	NONFAOMSVFDOHY-ZDUSSCGKSA-N	406.349	5.017	30	20	HKED	
C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	480117290	AJVAXBGMMAGRSO-OXJNMPFZSA-N	404.901	5.615	30	20	HKED	
COCCNc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	480791562	SJKWIKNZMAEUJK-UHFFFAOYSA-N	421.884	5.315	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)ccc1OCc1ccccc1	481708591	BHSRGCCVQXKXEA-INIZCTEOSA-N	419.456	5.168	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	483331565	SGWUXJXMILUSAZ-QGZVFWFLSA-N	401.466	5.151	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccccc1Sc1ccccc1C#N	484607788	REVDZTLRMRHBPJ-YOEHRIQHSA-N	404.457	5.512	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cs1	486583863	FDMIZMHXNKVIHL-UHFFFAOYSA-N	405.567	5.443	30	20	HKED	
N#CCCC[C@H](NC(=O)CCSc1ccccc1Br)c1ccccc1	487456305	SVNHEABINJXQLC-SFHVURJKSA-N	417.372	5.483	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	489021563	YUWHGAXRBAGPKY-FYBSXPHGSA-N	417.574	5.824	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CC1	489574654	ZWXRVVYWRYUJBP-NRFANRHFSA-N	402.523	5.187	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2COc3ccc(Cl)cc32)cc1	489919430	BUMDVFYDOIXLSZ-OAQYLSRUSA-N	418.880	5.100	30	20	HKED	
C[C@H]1CCCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496316802	XQYQZJHCZRUSHU-LBPRGKRZSA-N	408.449	5.031	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1	499061032	YCWLCIZDYBITHB-UHFFFAOYSA-N	402.519	5.432	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	500242661	AOWYYDIIKUKAAC-IBGZPJMESA-N	424.394	5.071	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(F)c1F	501314356	CRTJMTJZWRYCPP-INIZCTEOSA-N	423.438	5.449	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503465302	DYXFDVJWZDMIIS-UHFFFAOYSA-N	423.516	5.767	30	20	HKED	
Cc1cc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nn1CCC#N	504085584	GIBGUVYAPSTFPU-UHFFFAOYSA-N	413.717	5.532	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(-c3ccco3)s2)sc2c1-c1ccccc1CC2	504298572	HKMAKDPRSWBUNU-UHFFFAOYSA-N	403.488	5.354	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1	505825729	KNFFGIDQMDTRKO-IBGZPJMESA-N	422.916	5.001	30	20	HKED	
N#C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1	505941543	CCXLAESFGXDGIG-MRXNPFEDSA-N	404.322	5.307	30	20	HKED	
N#Cc1c(F)cccc1Sc1nnc(Cc2cccs2)n1CCc1ccccc1	506800262	SYJGVYOVVPBBHC-UHFFFAOYSA-N	420.538	5.335	30	20	HKED	
CCN(Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H](C)c1ccc(C#N)cc1	508604790	OAUKJPUBELZGHM-HXUWFJFHSA-N	407.521	5.389	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1oc2ccccc2c1CSc1ccccc1Cl	509717235	UGQSVAFMHOFRSK-HNNXBMFYSA-N	412.942	6.000	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3C3CCCCC3)c2)cc1	509912750	PWMSYRANPMQKGF-VWLOTQADSA-N	417.553	5.908	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510008930	ASSZFLNYVRPGMJ-KSFYIVLOSA-N	421.903	6.359	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSCc2ccccc2)n1	513672159	OOCXXQFQHDRCBS-SFHVURJKSA-N	418.543	6.121	30	20	HKED	
COc1ccc(OC)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	515130289	AYYDTTTWTRSZCI-FQEVSTJZSA-N	406.869	5.265	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1	516270307	RKJRJULFJCLQTG-INIZCTEOSA-N	413.380	5.070	30	20	HKED	
N#Cc1ccsc1NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	520636583	JBVAZFYJLXVNJL-UHFFFAOYSA-N	408.479	6.050	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1	524673661	FDMJYJZZDPZTPN-HOTGVXAUSA-N	401.329	5.197	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2cccc(N3CCCCCC3)c2)cc(OC)c1OC	524933952	GTGSZHZOGRXJGP-UHFFFAOYSA-N	423.557	5.134	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1Cl	525044879	IZMXCDLKXQWSLG-INIZCTEOSA-N	400.787	5.665	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)cc1	526939254	XHZRGYSQFNAOQH-RTBURBONSA-N	415.320	5.039	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)N(CCC#N)CCC(C)C)c2C)c1	533775270	QRPNLLMXAAKDBZ-UHFFFAOYSA-N	409.530	5.376	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(Cc3cccnc3)Cc3ccco3)cc2)cc1	533802981	WAJZHEQLPPOCQN-UHFFFAOYSA-N	423.472	5.376	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)cc1Cl	534401954	BQXFEPPDFLKXLM-YLJYHZDGSA-N	423.925	5.556	30	20	HKED	
CC(C)C[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	537495283	MRAOKDJQCGYMAY-NHCUHLMSSA-N	408.567	5.174	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCOc2c(Cl)cccc21	539461881	UEXPVMGSHHHJNT-RHSMWYFYSA-N	415.946	5.770	30	20	HKED	
C=CCC[C@@H](NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1	540457179	WBGAWBWPCJDURY-OAQYLSRUSA-N	412.580	5.011	30	20	HKED	
Cc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1	540606724	QPMUOBUDLPAGEU-DFBJGRDBSA-N	418.562	5.019	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3)n2)c(Cl)c1	541100069	AQSSVHVWDOODFW-IBGZPJMESA-N	423.879	5.296	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	544741645	KRPUOLCCQCXKMH-JOCHJYFZSA-N	406.526	5.117	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)N[C@@H](c1c(F)cccc1F)C(F)(F)F	549043059	MUYSEMFTRRKFJT-ZDUSSCGKSA-N	414.252	5.130	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)sc2ccc(C#N)cc12	550379748	AVPSTDUETHHUHG-UHFFFAOYSA-N	423.925	5.223	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1	551592356	FFBVLJNPIUFJSQ-DLBZAZTESA-N	412.534	5.010	30	20	HKED	
C=CC1CCN(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1	554238578	LMRCTWZJTWIXHM-UHFFFAOYSA-N	417.431	5.388	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCCCC(F)(F)C2)cc1C	557320814	YPAFCUAOMJGKNI-SFHVURJKSA-N	414.500	5.026	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cc1	558744037	JRZMOFZDLRULSI-NRFANRHFSA-N	419.422	5.609	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2)cn1	558847161	NYBDGBBTLQEMBF-UHFFFAOYSA-N	412.493	5.134	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCc1ncc(-c2ccccc2)o1	561241935	XYOXMDUDJWCCGC-UHFFFAOYSA-N	406.530	5.047	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1N(C)Cc1ccccc1	562136079	CIHDQXMKWYAHPW-UHFFFAOYSA-N	419.525	5.019	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	563760717	WUYBKTNASBXHEG-SJLPKXTDSA-N	413.521	5.295	30	20	HKED	
N#Cc1ccc(N2CC[C@H](c3nc(CSc4ccc(Cl)cc4)no3)C2)c(F)c1	570968424	GQBNACORFSMMJY-AWEZNQCLSA-N	414.893	5.020	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)cc1	571206272	PMBRHNDOIHCKOA-UHFFFAOYSA-N	415.280	5.026	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ncsc1C(C)C	582205324	HSMGJJPBZWPLBD-UHFFFAOYSA-N	412.328	5.388	30	20	HKED	
CCO[C@@H](c1noc(/C=C\c2ccccc2C#N)n1)c1ccc(F)cc1C(F)(F)F	589155330	OIVBTJORKHEWNM-JNLAIUADSA-N	417.362	5.395	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc(C)cs3)c2)cc1	589830411	IERFDSNGTYDAHE-JOCHJYFZSA-N	418.518	5.042	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(SCCOC(c2ccccc2)c2ccccc2)n1	591615487	NVIPOQAODBETEK-UHFFFAOYSA-N	418.518	5.028	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OC4CCCC4)c3)n2)cc1	595869330	KIABJYVZINAXAY-NRFANRHFSA-N	418.518	5.630	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H](c2ccc(Cl)cc2)C1	601187202	CHXPONSBUSHONI-HXUWFJFHSA-N	401.897	5.156	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1	603643717	HNVCXQMCMAMHJV-UHFFFAOYSA-N	421.545	5.025	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	603995568	NCNDPNZDROVIRH-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1	604365105	OUECUPHXKNUXPE-DEOSSOPVSA-N	411.505	6.274	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4nccs4)c3)n2)cc1	606145724	JZAIPRHQZJLPNJ-GOSISDBHSA-N	417.515	5.857	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	609027970	KBTPBOYDLVHCCX-FQEVSTJZSA-N	419.550	5.323	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(C)nc3ccc(Br)cc23)c1C#N	609031318	JSPQYQRPRQZBAU-UHFFFAOYSA-N	414.328	5.362	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609058525	ZYHWZXUUQYHVQV-UHFFFAOYSA-N	410.857	5.425	30	20	HKED	
CC(C)CN(C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C#N)cc1	609298008	UBGCDBVNLTZAFC-UHFFFAOYSA-N	413.308	5.354	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)cc2)c1	609433855	NDZSJALWAROLOP-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1ccccc1	609438242	HMQUZJWFHBAEDD-RTBURBONSA-N	423.582	5.409	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1	609735752	RYLLOYCGDIOCGZ-HFJWLAOPSA-N	415.537	5.365	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	611630922	KIPXNIHHPOYJNT-QFIPXVFZSA-N	415.562	5.759	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](CC(F)(F)F)c1ccc(Br)cc1	612574880	PANDYCQWEZKXFU-MOPGFXCFSA-N	423.276	5.981	30	20	HKED	
COc1cc(F)c([C@H](C)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC	675737860	KDCNCZZKJFPKRI-HBNTYKKESA-N	417.365	5.403	30	20	HKED	
Cn1ccnc1[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1	679580350	HBRVOYFXGBVFSJ-BFJAYTPKSA-N	423.376	5.148	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)N[C@@H](C)c1cccs1	726485386	OZUNWIXPHHYKCZ-INIZCTEOSA-N	409.555	5.710	30	20	HKED	
C(=NOCc1csc(Cc2ccccc2)n1)c1cccc(OCc2ccncc2)c1	727433873	DFLQTPPWLRPDKN-UHFFFAOYSA-N	415.518	5.259	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc2cc(Cl)ccc2s1	727954724	SPUBJKOGUUCEPD-LJQANCHMSA-N	424.953	6.080	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1OC	728417547	GFWGYTQOJXBQFO-CHFKYBQCSA-N	401.462	5.001	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1	728482510	VAUILTAGHSVJBV-UHFFFAOYSA-N	414.534	5.307	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc34)n2)cc1	730922994	SFPHZHOPPMEXHL-DNVJHFABSA-N	424.525	5.952	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccncc1	734667810	PWQSKIMZIUCQGN-KOSHJBKYSA-N	419.500	5.477	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccc(F)cc2)C2CC2)cc1	735171824	MNBMCWSHRINOMK-RUZDIDTESA-N	413.496	5.720	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)/C=C/c2ccccc2C#N)c1C	735460387	KHIZRUPRRWUUPY-JXMROGBWSA-N	411.292	5.320	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	740445730	ZDZCEYJQMBGWIR-UHFFFAOYSA-N	424.913	5.220	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744062740	KAUBCGFRWVCWSE-QSOAKEGCSA-N	413.424	5.504	30	20	HKED	
Cc1cccc(F)c1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	745889974	NCOXTEJZPAVCIE-UHFFFAOYSA-N	405.448	5.057	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12	746588421	LRLZZBZJZKFZQU-HNNXBMFYSA-N	400.507	5.133	30	20	HKED	
N#Cc1cccc(C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1	748256638	ASQBCVLGTBKGBT-UHFFFAOYSA-N	417.273	5.028	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)c(Cl)c1	749045974	ROKXFLFYEYDPEH-LJQANCHMSA-N	413.905	5.462	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccsc2)ccc1OCC(=O)Nc1ccccc1	749101130	ADPAWOOHFKVHON-NTMALXAHSA-N	407.491	5.060	30	20	HKED	
C=CCC[C@@H](NCc1cc2c(C)nn(C)c2nc1Cl)c1ccc(C(F)(F)F)cc1	749836386	QUVJJYXJDYEBML-GOSISDBHSA-N	422.882	5.746	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccco3)cc2)cc1	758588799	KFKHEUDFXWNYAL-SIKLNZKXSA-N	417.465	5.064	30	20	HKED	
Cc1cc(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1	763479029	SNNFQPGVIPWSPJ-IBGZPJMESA-N	404.853	5.402	30	20	HKED	
C=CCOc1c(Br)cc(CN2CCC[C@@H]2c2cc(C)on2)cc1OCC	768427521	CGEAJYWGDLWPJF-GOSISDBHSA-N	421.335	5.046	30	20	HKED	
COC[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nccs1	774676475	ULEDVRLCJARPLL-GOSISDBHSA-N	414.870	5.005	30	20	HKED	
C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nc2cc(C(F)(F)F)ccc2n1C	777094042	LEFNTMNXIOPQLE-ZDUSSCGKSA-N	413.399	5.065	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782755289	QWRSZVHKUKHSJM-YVHKJVDXSA-N	419.550	5.159	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2cccc(Cl)c2o1	783076167	FSNPLASGRGQWBI-GFCCVEGCSA-N	417.248	5.018	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1c[nH]c2ccccc12	786311398	RIMWLAXYRHUUBN-SJKOYZFVSA-N	414.292	5.316	30	20	HKED	
O=C(/C=C/c1ncc(I)s1)c1cc2cc(Cl)ccc2o1	794696525	GASLKTYNZHSHHT-DUXPYHPUSA-N	415.639	5.043	30	20	HKED	
C#CC[C@H](Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	795335009	SRNXTABJFOHEGA-RHSMWYFYSA-N	400.309	5.329	30	20	HKED	
N#CC1CCC(CNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1	799388102	RGLHZGSUCXOGBN-UHFFFAOYSA-N	421.591	5.648	30	20	HKED	
Cc1ccc(-n2c(N(C)C)nc(CN[C@H](CCC#N)c3ccccc3)c2Cl)cc1	802648270	WFOFNHMKKXNJJC-HXUWFJFHSA-N	407.949	5.035	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	805877441	HRCLBXKHZXBCQB-MRXNPFEDSA-N	406.438	5.112	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccc(Cl)cc1F	806273531	CQSIDWXFQFQGPR-VKGTZQKMSA-N	420.937	5.022	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)c1ccc(F)c(F)c1	811155048	GXANDHIPGFATQT-GOSISDBHSA-N	422.497	5.445	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	812581825	OIWCCOLTBMJCAH-GOSISDBHSA-N	417.550	5.243	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCC[C@@H]4CCCO)c23)cc1	814761762	WVKWFKMBRYGUNH-MRXNPFEDSA-N	410.543	5.098	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	915105033	YHSXAKCVGNEQEI-AWEZNQCLSA-N	402.397	5.154	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1OC(C)C	916310697	DUFZPNUPEMWMFJ-UHFFFAOYSA-N	403.507	5.103	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)c2)c(C)c1	916898510	BWPHIKIOOILNLR-JOCHJYFZSA-N	414.530	5.557	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1	916916352	XLDNKTFFTTYPPS-LJQANCHMSA-N	408.546	5.065	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COc2c(Cl)cccc2Cl)cc1	916955580	RUMKQRBYGVIYPR-BBRMVZONSA-N	419.308	5.233	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	918491517	BINASTBXRCFEOE-MGPUTAFESA-N	409.898	5.101	30	20	HKED	
C=CCN(C(=O)c1ccc(SC(F)F)cc1)c1nc(-c2ccccc2)cs1	918551319	ANNNCSOBQSJSTB-UHFFFAOYSA-N	402.491	5.958	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)Cc2ccccc2Cl)cc1C	920855165	YANCBYAZDRJSCZ-SFHVURJKSA-N	420.944	5.095	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc2nc(O)oc2c1	1534333768	IWBCUAAAHRZWFJ-AWEZNQCLSA-N	415.474	5.047	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1	1786913424	YTPNMLRHMRBQPQ-DGXIYAMASA-N	404.510	5.195	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1	1789291512	BDNZCHQWKPIEMS-UHFFFAOYSA-N	408.498	5.364	30	20	HKED	
C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2	1801643269	FTYAZXAKRCMRAI-OKYOBFRVSA-N	416.521	5.050	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cscc2C)n[nH]1	1818237682	SUSHLDRLLRNWLW-SFHVURJKSA-N	414.575	5.078	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C)c2C)c1	10167868	KZMRZNXUPRFMJW-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(CC)c2)cc1	10174863	PUCKIWPTDTYFHT-UHFFFAOYSA-O	423.627	5.828	30	20	HKED	
COc1cc2c(cc1NCC(=O)Nc1ccccc1SCC#N)oc1ccccc12	11619391	DEGMJFIEKLYCNL-UHFFFAOYSA-N	417.490	5.261	30	20	HKED	
C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1OC(F)F	15336686	IZXWUFZUEQYHMJ-HNNXBMFYSA-N	408.404	5.233	30	20	HKED	
C=CCc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(OC)c1OC	16224959	AYRVCWXSJMNGBR-KRWDZBQOSA-N	422.550	5.062	30	20	HKED	
Cc1cc(C)c(C#N)c(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)n1	17143806	VRIHHHCMWZFCHW-UHFFFAOYSA-N	424.576	5.197	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3	20048502	PUFGNVLHLZRBBM-UHFFFAOYSA-N	413.593	5.189	30	20	HKED	
C=CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1cccc(C)c1	22872650	FELLGCDFOMEFMM-UHFFFAOYSA-N	406.555	5.168	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccco3)n2)nc2cc(Cl)ccc2c1=O	25434301	GEVBFAUFVCTOIW-UHFFFAOYSA-N	415.927	5.245	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	32290225	KCSGPQJAFKCVLQ-UHFFFAOYSA-N	423.472	5.282	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)sc2Cl)cc1	55823737	VBPMAZIHTSJFPG-UHFFFAOYSA-N	417.317	5.952	30	20	HKED	
C=CCn1c(S[C@@H](C)CCc2ccccc2)nnc1[C@H]1COc2ccccc2O1	59739592	WORBSZASIJQGTH-LAUBAEHRSA-N	407.539	5.090	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2s1	64461478	NWFLZNGMPPALJR-LLVKDONJSA-N	424.473	5.108	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1	146775730	KOGMGELALOKHQX-PMACEKPBSA-N	403.869	5.450	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1F	195568881	ALZJNOIWDXOVEC-CYBMUJFWSA-N	416.909	5.043	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	303533641	RUZBEUVLQIDQGW-RTWAWAEBSA-N	404.416	5.679	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCOC2(CCCCC2)C1	426084458	LEUQLNRIINCXNA-FQEVSTJZSA-N	419.525	5.662	30	20	HKED	
CCCN(C(=O)c1cccs1)C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1	432075894	KLEMFDZMOOMLPB-UHFFFAOYSA-N	421.488	5.160	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)sc2ccc(C#N)cc12	433242256	QNCYNJPJLTXUAP-UHFFFAOYSA-N	411.486	5.586	30	20	HKED	
CC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	435499219	DLXYAOWZTXACHV-UHFFFAOYSA-N	419.868	5.144	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](c2cccnc2)C(C)C)cc1	435686259	SHDINOLYIJTQBQ-HSZRJFAPSA-N	401.466	5.132	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(O)c(OC)c3)n2)nc2ccccc21	436792701	PFMUIGGJQKHTPF-UHFFFAOYSA-N	409.536	5.352	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	439121672	ZIGGJVZZWGCAAS-RTWAWAEBSA-N	402.519	5.444	30	20	HKED	
C[C@@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)N(CCC#N)c1ccccc1	439617089	YACKTRKBKKVFFW-OAQYLSRUSA-N	413.521	5.151	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1	460794431	PWVCVUKVFYNRET-UHFFFAOYSA-N	412.541	5.021	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2)cc1	462262966	MXKXUPQEHBORTO-QPPBQGQZSA-N	413.477	5.392	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)cc1	463507699	RKIQBVIKHCHVLE-HXUWFJFHSA-N	413.521	5.398	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1NC(=O)c1ccccc1	464409715	VARCEMGZVLWBMK-SFHVURJKSA-N	423.394	5.151	30	20	HKED	
CCOCc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	464988262	VMQYVORDEBZACW-UHFFFAOYSA-N	406.869	5.793	30	20	HKED	
C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](c2ccco2)C1	465882278	WJTCQECAXQUKJM-GHOZHQTGSA-N	407.514	5.024	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1	466060946	DRKHVHSDNJUXJX-HYBUGGRVSA-N	413.477	5.250	30	20	HKED	
COCCc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	466633254	MIYIXPTWSCEBBX-UHFFFAOYSA-N	406.869	5.445	30	20	HKED	
CC(C)CCOc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1	467338394	JWXFODCHNMSXLW-UHFFFAOYSA-N	407.514	5.058	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)CCC[C@@]12CCCCO2	468634947	KEKAQXFMMFCICJ-GGAORHGYSA-N	412.892	5.214	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cn(CCCC#N)c2ccccc12	470310583	VVAMIQUTPWMUBO-HXUWFJFHSA-N	413.443	5.677	30	20	HKED	
C=CCN(C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1nc2c(s1)CCCC2	471139681	MEEUALSKBINUNM-UHFFFAOYSA-N	422.554	5.025	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3cc(Cl)ccc3Oc3ccccc3)o2)cc1	471607971	AITRANOZKVXWAD-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
Cc1cc(Br)c(F)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	473856051	UOFWRHOQEQKPAU-DNVCBOLYSA-N	416.294	5.200	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cn1	474867019	FFSPXXSUJJRKNU-UHFFFAOYSA-N	401.466	5.244	30	20	HKED	
CN(c1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C1CCCC1	475037996	IOWCTTSKKYOPDW-UHFFFAOYSA-N	418.541	5.012	30	20	HKED	
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C[C@@H](CC#N)c1ccccc1	476530281	FMAUOUAUCIJIOF-GOSISDBHSA-N	422.916	5.215	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3csc(-c4ccco4)n3)c2)cc1	478674778	USEGUERKQWFPGO-UHFFFAOYSA-N	416.462	5.389	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nnc1-c1ccc(C)cc1	481346971	UUGNIEXDRMSZHH-OAHLLOKOSA-N	400.573	5.286	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1	481920582	JQYKHJOXMUUKIZ-UHFFFAOYSA-N	408.911	5.279	30	20	HKED	
Cc1nc2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)ccc2n1Cc1ccsc1	483233562	ITVYCOHJTDZIDZ-NRFANRHFSA-N	422.513	5.493	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)s1	487075351	HOCYCXBWXKBIBF-MRXNPFEDSA-N	423.513	5.325	30	20	HKED	
N#C[C@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1c(Cl)cccc1Cl	499831218	GCCIYAZJAGUKSY-HNNXBMFYSA-N	420.296	5.174	30	20	HKED	
N#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cccc(Cl)c1Cl	505314702	PRQUJIGPYZPMLQ-SFHVURJKSA-N	411.292	5.051	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	505320926	NVAKNAXVLHTCCG-FQEVSTJZSA-N	406.272	5.527	30	20	HKED	
CCN(C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	505340289	SSZHXPILBDZWOD-INIZCTEOSA-N	404.901	5.200	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1c(Cl)cccc1Cl	505507089	PZMVSVCUJCGFDH-INIZCTEOSA-N	420.296	5.180	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	505964268	AJSQKUDMAFLICU-INIZCTEOSA-N	419.790	5.317	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc(-c2cccc(SCC#N)c2)n1	508644216	BFLLDEFOIJPBDH-LJQANCHMSA-N	413.930	5.564	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N1CCC[C@@H]1c1cccs1	510203941	QANYGRBCMSXJRB-OXQOHEQNSA-N	419.575	5.526	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2)c1	511694824	HFFCNAORTNSLPD-KRWDZBQOSA-N	415.518	5.585	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)o1	512372666	XIDZPWKAHVJXQS-HSZRJFAPSA-N	424.859	5.095	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)C(F)(F)F)c1	512853222	VDJRLFNOYJRLKM-KDOFPFPSSA-N	407.461	5.672	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)Cc2c(F)cccc2C#N)C(C)C)cc1	513461934	RGLJHZBNOFSDJA-UHFFFAOYSA-N	416.496	5.353	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Sc1ccc(Br)cc1	515647693	RUQIJHVDMWPUNE-HNNXBMFYSA-N	417.372	5.239	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCOc1cccc2ccccc12	518140380	NONFKBMDVPMTJZ-GOSISDBHSA-N	404.535	5.889	30	20	HKED	
COc1cccc2c1N(C(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CCC2	521244630	VUTLJBHQMYRBHW-UHFFFAOYSA-N	402.425	5.091	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1	521841134	UFZWWDUVGMFDND-CQSZACIVSA-N	405.420	5.589	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	524565665	CNHYPPXCIUXHFQ-HNNXBMFYSA-N	422.579	5.692	30	20	HKED	
C=CCC[C@H](NCc1noc(-c2ccc(OC)cc2)n1)c1ccc(C(F)(F)F)cc1	537132942	XBYVPXHSXJUZIL-IBGZPJMESA-N	417.431	5.561	30	20	HKED	
COC[C@H](N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	540163002	IRXDWNXEGTZCFB-IRXDYDNUSA-N	409.345	5.815	30	20	HKED	
C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2ccc(Cl)cc2)s1	541702906	AFCPYADUYIUXAM-CQSZACIVSA-N	420.925	5.841	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc2c(c1)CCCC2	544881700	MVNHJLPYQOHRLB-ZWKOTPCHSA-N	407.583	5.249	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1	546754589	UFQSUCUKVVCAHK-WMZOPIPTSA-N	408.926	5.159	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](c2ccccc2)c2ccc3ccccc3c2)c1	553917771	XJBMDXUSUNZDMW-NDEPHWFRSA-N	406.529	6.402	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	554900904	IQUCWVLKWWYGLD-ZIAGYGMSSA-N	412.349	5.035	30	20	HKED	
C[C@](C#N)(NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)C1CCCCC1	571221125	KHQLHHOSGBBHJY-HXUWFJFHSA-N	419.312	5.168	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cccc(OC)c1	583662232	USIQFOSBNIBNOK-JTSKRJEESA-N	422.504	5.093	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCCCCC#N	588254045	VSZCFOAVXBLMAT-UHFFFAOYSA-N	420.944	5.625	30	20	HKED	
N#Cc1c(NC(=O)c2cccnc2SCc2ccc(F)cc2)sc2c1CCCC2	603727641	HXJJAEGLEKJRHI-UHFFFAOYSA-N	423.538	5.577	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1Cl	603758720	CKDQGDCXHNXOPX-KRWDZBQOSA-N	415.802	5.662	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Cl	603873179	PIQYZTNDWKJZNG-UHFFFAOYSA-N	410.857	5.423	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)s1	604028840	UKDAYEGBXRXGTB-UHFFFAOYSA-N	418.547	5.374	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1C	609058710	MLMFAUNNIHWJND-HSZRJFAPSA-N	400.478	5.324	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3sccc3OC(F)F)c2)c1	609163214	GBJZDPIUUVKBBX-UHFFFAOYSA-N	400.406	5.052	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1	609205467	YJBWSOKAQBLIGG-UHFFFAOYSA-N	423.822	5.306	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	609377815	GXLVIEURRVYWCH-ZDUSSCGKSA-N	411.914	5.808	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4ccc(F)c(F)c4)CC3)cc2)nc1	609504751	BLBKNZHPIZQYNL-UHFFFAOYSA-N	419.431	5.044	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)c(F)c1	609557115	LGCIHPMIDPBGTI-RUZDIDTESA-N	409.464	5.439	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	609601370	KVWHORHPXJNVIJ-UHFFFAOYSA-N	413.437	5.072	30	20	HKED	
N#C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc(F)cc1	609601868	UYPMVCMRTKMZJV-HSZRJFAPSA-N	415.443	5.427	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	609694662	WXYQZXAQOWYWRA-DLBZAZTESA-N	405.404	5.074	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ncoc3-c3ccccc3Cl)cn2)cc1	610224309	YHTBSWNOEBMETM-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
Cc1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	610225535	HHVVUIPVJMVWTG-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)s2)c(C)c1	610598555	UBWCSUOFRAICSZ-RTWAWAEBSA-N	401.535	5.339	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)ccn1	610957156	YMZBUUIYXOPLOE-UHFFFAOYSA-N	417.925	5.206	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)c1ccccc1C#N	611072015	UOBIVCOLOIAIKH-UHFFFAOYSA-N	401.413	5.286	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1sc2cc(C)ccc2c1Cl	612208098	WFLOKJZQRWUMAH-UHFFFAOYSA-N	400.887	5.012	30	20	HKED	
C=CCn1c(SCc2nc3cc(Cl)ccc3n2C)nnc1-c1cccc(C)c1	613930181	GWQIOOPLGDXQPW-UHFFFAOYSA-N	409.946	5.272	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C(C)C	616760947	RGVODGPOEHFXQB-UHFFFAOYSA-N	418.501	5.510	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NCc1csc(-c2cccc(Br)c2)n1	618743185	ZJOVWCAEJHHXGS-LJQANCHMSA-N	410.340	5.221	30	20	HKED	
CC(C)(C)n1cc(CNCc2ccc(C#N)c(Cl)c2)c(-c2ccccc2Cl)n1	619748846	QMPYAAKHNJNJFV-UHFFFAOYSA-N	413.352	5.773	30	20	HKED	
N#Cc1ccc(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1Cl	619780557	TUEVSAXBHJYFQD-UHFFFAOYSA-N	423.097	5.039	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC2(CCOCC2)CC1)c1ccc(C(F)(F)F)cc1	671209648	LMRJVHPBMTYKAZ-LJQANCHMSA-N	410.480	5.315	30	20	HKED	
CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674501513	OOCMSLWEBOLULK-YNEHKIRRSA-N	421.303	5.398	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](Cc2ccncc2)C1)c1ccc(C(F)(F)F)cc1	679874213	ZXDGEMXNOVCZCB-NQIIRXRSSA-N	417.475	5.382	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730421877	QZRPFHYHVBSDEA-JQWIXIFHSA-N	408.376	5.098	30	20	HKED	
Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2c(C)cccc12	731074412	QNXQNAJMYMVTEK-HNNXBMFYSA-N	422.506	5.239	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)c1ccc2ccccc2n1	731768389	IEDFOYDQLSTACZ-KGXYIWNSSA-N	407.473	5.461	30	20	HKED	
Fc1ccccc1-c1nc2c(s1)C(=NNc1ccc(C(F)(F)F)cn1)CCC2	731923440	LJWCYGXJJLMIQF-UHFFFAOYSA-N	406.408	5.516	30	20	HKED	
C=CC1CCN(Cn2nc(Nc3ccc(SC(F)F)cc3)sc2=S)CC1	732181512	WZTKEGFBWQEOCJ-UHFFFAOYSA-N	414.572	5.588	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c1	733843222	LSMBYMSMYCWSDV-IBGZPJMESA-N	423.513	5.019	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)c1ccncc1	734237527	PZOVNWVOQNLRJL-OAQYLSRUSA-N	422.912	5.370	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)c1	735579432	DUFDFNHHCRQURJ-ISKFKSNPSA-N	405.542	5.503	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	739157401	VYZWELLNOKWMSX-INIZCTEOSA-N	403.438	5.403	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N	739306877	VXVGFMWLHQQOTE-LSDHHAIUSA-N	410.470	5.201	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(-c2ccccc2)n([C@H](C)c2ccccc2)c1=S	739841714	PAXGVWWWSDQMSM-LJQANCHMSA-N	405.571	5.272	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccnc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	741111236	IRASWYFJNADYHP-YERXGYGTSA-N	423.419	5.753	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c12	744034643	JNYXVSMHFIYLKE-IBGZPJMESA-N	419.937	6.062	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc(-c2ccccc2)cs1	744036671	GRLXSRDKOKNCBF-RCCFBDPRSA-N	413.329	6.097	30	20	HKED	
C#CC[C@@H](OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccccn1	744101211	SWDMPXIMEUWXJR-QGZVFWFLSA-N	413.260	5.497	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2scnc2C)cc1OCC	745626745	QIWUMDLKZKYOFT-SREVYHEPSA-N	410.333	5.298	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1cccc(C)c1C	745724428	QSAWVFRABSWIBJ-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	746137336	OXBJTTRJSHTJEV-BBRMVZONSA-N	417.456	5.184	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Cl)c2Cl)cc1	746659511	KDVKXEPLYNJYLO-IBGZPJMESA-N	410.304	5.971	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2[C@H](CC)c2ccccc2)c1=S	746709669	ASHCNKOBTIJLOA-YADHBBJMSA-N	419.598	5.278	30	20	HKED	
COc1cc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CCC2)ccc1C	750396182	UROAJLZBGNBMLQ-HXUWFJFHSA-N	416.546	5.734	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(F)c1F)c1nc2cc(C(F)(F)F)ccc2s1	750397049	JSYKWAMPMZEXLH-LBPRGKRZSA-N	410.367	5.402	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)/C=C\c2ccc(C)cc2)cc1	751280175	CSRQITGTBKRFKC-YPKPFQOOSA-N	420.490	5.080	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(CCC(F)(F)F)cc1	752476713	AXSUTLLFUNZUFI-IBGZPJMESA-N	410.395	5.296	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cs1	759116644	DDFYGUWWTIDLHH-NHDPSOOVSA-N	404.491	5.369	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cccc([N+](=O)[O-])c1	763946031	WFXLKFLPDYPIIH-PXAZEXFGSA-N	411.870	5.352	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1ccc(N2CCCCC2)cc1	774116173	REWPAVKEKGBXCS-KAMYIIQDSA-N	417.958	5.020	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(C3CCCCC3)n2)cc1	776515738	JOSXPIVONYZYKN-IERDGZPVSA-N	406.530	5.171	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1F	780017179	WXEJLZLDAWZQGT-AWEZNQCLSA-N	410.474	5.116	30	20	HKED	
CC(C)(C#N)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	781466844	OVUYCGSOZZLJLN-CPLVZERVSA-N	411.386	5.202	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccnc(Cl)c2)cs1	782183765	DIUJYVRNCYNNHJ-DAXSKMNVSA-N	418.305	5.426	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	786148681	CLKVHPVPXDJTPN-QGZVFWFLSA-N	418.419	5.152	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(OC(F)F)c(Cl)c2)c2ncc[nH]2)c1	787167902	GGSLLPIHVIIZHU-DHDCSXOGSA-N	404.800	5.097	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	789334965	BYCAYJNFWMTIEH-GOSISDBHSA-N	406.507	5.315	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccc(OC(F)(F)F)cc1	789337717	YDNSKJGSJYEOOE-AWEZNQCLSA-N	404.413	5.349	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	789891071	UYNHDIBNGONZJS-HXUWFJFHSA-N	412.574	5.514	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccncc1	806821192	RJMCHJSMIYITMG-MOPGFXCFSA-N	405.420	5.048	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1	809435189	QUNLDFMTWIEIGY-UHFFFAOYSA-N	414.377	5.006	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1Cl	811709469	WRQVTBICNJKSDS-UHFFFAOYSA-N	410.886	5.216	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Oc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	813218369	VFZDCPNTRBNRRL-IBGZPJMESA-N	412.367	5.148	30	20	HKED	
C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(F)c(C(F)(F)F)c1	815993130	IWHKHNBPMCOZBZ-MRVPVSSYSA-N	406.257	5.048	30	20	HKED	
C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccccc1F	825111331	GZNPWSPTLSJNDO-UHFFFAOYSA-N	415.362	5.258	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(OC(F)F)c3cccnc23)c1	864026639	UNPUIYMRJMTKIH-UHFFFAOYSA-N	404.214	5.082	30	20	HKED	
CCOc1ccccc1CCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915103855	GVMWWGPIZOQMJX-OAHLLOKOSA-N	418.440	5.523	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccccn3)n2)CCOc2cc(Br)ccc21	915987077	QYKCFQVBSBGDMF-FMIVXFBMSA-N	413.296	5.016	30	20	HKED	
O=C(/C=C\c1cc(Br)c(O)c(Br)c1)c1ccc(F)c(F)c1	916127521	CLHSAPCSKIXVFK-RJRFIUFISA-N	418.031	5.092	30	20	HKED	
COc1cccc(-c2nc(/C=C\C(=O)c3cc(Cl)c(OC)cc3OC)cs2)c1	916154532	JNPRKESDRKUMJQ-FPLPWBNLSA-N	415.898	5.385	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2ccccc2s1	916904437	CVLMCBQMTOTONZ-GOSISDBHSA-N	412.470	5.655	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	916932126	PXIAOZCXIBNJGT-IMXKFXGHSA-N	401.293	5.279	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)OCc1cccc(C(=O)N2CCCCC2)c1	917963501	XFZCABGHCHUNIU-UHFFFAOYSA-N	424.500	5.208	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc4c(c3)CCCC4)n2)cc1	920138263	BXWXKMCYRMSBQH-OAQYLSRUSA-N	402.519	5.116	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1	1785801441	JDXRZSXHPCJSGQ-QGZVFWFLSA-N	418.528	5.548	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1814827571	ZASFOZHBBKHWSF-OAQYLSRUSA-N	412.578	5.141	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1	1824243981	YRCFQIUFUDBZBB-FTBPSBKWSA-N	424.629	5.258	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828410469	SCKFPMQUANQGKF-VXKWHMMOSA-N	418.597	5.047	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1	1831376967	XWPPLDIUSPJAMC-GCJKJVERSA-N	416.993	5.094	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)cc1	7611176	HHNJLLFEYNAWII-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(CC#N)cc2)cc1	61058809	WZDCNMRFTKPEHK-UHFFFAOYSA-N	415.518	5.044	30	20	HKED	
CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	64714634	HIOGSNFXOCHXAN-INIZCTEOSA-N	412.461	5.613	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2occc2CSc2ccccc2)cc1	97061717	TYBLHJVXFILPAM-UHFFFAOYSA-N	407.495	5.132	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	303295573	BQRKAQBKBUPJGL-GFCCVEGCSA-N	419.428	5.571	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	303354116	FVDMYXURLDCFOL-SJORKVTESA-N	407.539	5.316	30	20	HKED	
N#C[C@@H]1CC[C@H](Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)C1	430136528	TUQOHXLLSIBTSH-DOMZBBRYSA-N	416.337	5.420	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	431404111	NWSYLYKSNCVMDR-UHFFFAOYSA-N	420.538	5.153	30	20	HKED	
C[C@H]1CCCCN1Cc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	431815181	VEDAEFMGRUVPGT-SQJMNOBHSA-N	418.585	5.295	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2cccc(Cl)c2)CC1	432073367	BWNRGEJQWQTVCE-MRXNPFEDSA-N	411.958	6.055	30	20	HKED	
CC(F)(F)c1ccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	432634277	RRWDIFFXECEYNS-UHFFFAOYSA-N	412.465	5.039	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1	432678887	NLXZORFPUGZZOW-INIZCTEOSA-N	415.518	5.330	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4ccc(Cl)cc4n3)n2)cc1	437358174	XIHJRRMMEZZCRW-QGZVFWFLSA-N	414.877	5.373	30	20	HKED	
COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	437605202	OZUQAECHYOMPMV-SFHVURJKSA-N	415.493	5.244	30	20	HKED	
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438642171	PDTZAZZEJHOODF-UHFFFAOYSA-N	417.309	5.140	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OC1CCCC1	438853304	OSJZJYBDCKEHEZ-XMSQKQJNSA-N	421.541	5.422	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	441292695	BLVAAAUJJAPQMP-QGZVFWFLSA-N	423.881	5.394	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1CCC(C)C	442095016	YLIFQKMAKINCMB-CQSZACIVSA-N	414.481	5.129	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2)no1	442614593	HNAPMYPFPRKDKF-MRXNPFEDSA-N	416.506	5.425	30	20	HKED	
Cc1nc(C)c(-c2csc(NC(=O)c3cn(CCCC#N)c4ccccc34)n2)s1	444192244	YMZXCGPFBJYOFO-UHFFFAOYSA-N	421.551	5.394	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1)c1ccccc1	447452414	SLRCIPAYLJGAAU-QGZVFWFLSA-N	408.461	5.639	30	20	HKED	
CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1	461491867	WNCLYLWFLSTSNO-OALUTQOASA-N	423.611	5.037	30	20	HKED	
COc1ccc(-n2c(SCCC(C)(C)C#N)nc3ccccc3c2=O)cc1Cl	463029156	CNQSSGLKMJECGL-UHFFFAOYSA-N	413.930	5.080	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464480619	ZDQHFTZTDLGASW-GOSISDBHSA-N	423.394	5.151	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Oc4ccccn4)c3)o2)cc1	464884831	JLBIKXCNLZEAFO-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1	465531000	WFYWFMDUEZQKOQ-OAQYLSRUSA-N	411.839	5.079	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N(c1ccc(OCC)cc1)C1CCN(CC(F)(F)F)CC1	466432116	UNUCEWNDAVPQMO-KRWDZBQOSA-N	412.496	5.047	30	20	HKED	
N#C[C@H]1N(C(=O)CCCCc2ccc(Cl)c(Cl)c2)CCC[C@@]12CCCCO2	468653485	WBXIGZUTUBZOOP-CTNGQTDRSA-N	409.357	5.160	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Cl	473778733	MPDGSKAJAXHURH-PSBKLILYSA-N	409.917	5.075	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1ccccc1	474794068	ZMBZRHXQRJDGAU-MRXNPFEDSA-N	407.857	5.211	30	20	HKED	
CN(Cc1ccccc1CNC(=O)C[C@H](CC#N)c1ccccc1)C1CCCCC1	475114637	XOESPIWNNJSCEB-QFIPXVFZSA-N	403.570	5.155	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1	476124494	VNVTWTNRPBFDOL-QFIPXVFZSA-N	404.554	5.338	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	480255680	BHYFXBMFSJCVNL-YWZLYKJASA-N	405.889	5.012	30	20	HKED	
C=C(C)[C@@H](NCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccc(F)c(F)c1	481589268	ZMMFXOQNTYLQEC-OAQYLSRUSA-N	422.435	5.385	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(Cc1ccco1)c1ccccc1C#N	482188777	XEBMJXSDUGTBDV-AWEZNQCLSA-N	415.276	5.459	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@@H](C#N)c1nccc2ccccc12	483204751	SPZKEMVRXHOIHW-SFHVURJKSA-N	420.394	5.442	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cnn1-c1ccccc1Cl	483219015	JFSILPGSBOWPJN-HNNXBMFYSA-N	415.884	5.082	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCc1ccccc1Cl)c1cnc2ccccc2n1	483226377	AQDMORWIDUGVJK-GOSISDBHSA-N	413.864	5.352	30	20	HKED	
N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1nccc2ccccc12	483227871	LZAXWGHEINBPLB-QGZVFWFLSA-N	421.378	5.214	30	20	HKED	
CSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	492065508	JEKMCEPVJDXQQI-LLVKDONJSA-N	409.319	5.922	30	20	HKED	
COc1ccc(CN(CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@H]2C)cc1OC	499603693	RZJPKSQQVXOIBG-IFMALSPDSA-N	414.590	5.185	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCCc1nc2ccccc2s1	500996743	LIIMUDFTIKOPID-UHFFFAOYSA-N	401.491	5.317	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1	504158748	ZJPZDRWHADCRMS-UHFFFAOYSA-N	422.916	5.271	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)c1ccc(Br)s1	505540365	NMWMDXGSEKROAM-KWQFWETISA-N	418.143	5.302	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c1	513279000	JWPISVXQWHZZMA-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)CCC1(F)F	514851888	ALOIOWMSGSCOIF-VIFPVBQESA-N	418.378	5.572	30	20	HKED	
CCc1ccccc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	518147376	MGJZNOJGSGOEDU-CQSZACIVSA-N	421.488	5.713	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1	518516450	DJDQXFCOCWJJAR-FQEVSTJZSA-N	406.507	5.344	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OCC	519927094	MGRKZVDAGGCXBS-LJQANCHMSA-N	423.557	5.284	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1	521727549	WVMMEVCCMTUEGD-UHFFFAOYSA-N	417.534	5.322	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nccs1	523455161	CVRAFSWMTFPLMP-SFHVURJKSA-N	410.474	5.006	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1Oc1ccncc1	523797329	XIZBOQNZHYDEEN-IBGZPJMESA-N	412.474	5.191	30	20	HKED	
COc1ccc(Br)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	525796132	GCDWLLZBLSZUAN-LBPRGKRZSA-N	421.703	5.211	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	530898155	BADWKNOQRIOEQC-UHFFFAOYSA-N	414.758	5.492	30	20	HKED	
CC[C@H](c1nnc(S[C@@H](C)c2ccc(C#N)cc2)n1-c1ccc(OC)cc1)N(C)C	531409030	GPGGBGXCJBZGPU-HRAATJIYSA-N	421.570	5.014	30	20	HKED	
Cc1ccc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1[N+](=O)[O-]	531445103	YPBWKYPAOOESNT-SFHVURJKSA-N	401.466	5.205	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1	531463627	HXAHHJQTOYNNEB-KRWDZBQOSA-N	407.539	5.268	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](C3CCOCC3)C2)cc1Cl	532852298	KFWAJGBFUSAERC-DENIHFKCSA-N	423.944	5.276	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	533241671	YVWDCNMTMJYMDG-CVEARBPZSA-N	401.963	5.366	30	20	HKED	
CCN(C(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccc(C#N)c(Cl)c1	539173241	CAHDJOCLPSVOQO-UHFFFAOYSA-N	416.706	5.051	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nc2ccccc2o1	539759502	RWRQCTVLIGBWAK-AWEZNQCLSA-N	410.474	5.177	30	20	HKED	
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Oc2ccccc2C#N)c1	539776005	BBNWUGMEMKBAFR-UHFFFAOYSA-N	419.868	5.605	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1	540875596	GXVDFSROWFOBMU-UHFFFAOYSA-N	423.428	5.448	30	20	HKED	
N#CCC1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1	542912339	WXWQMUPVEAXVDU-UHFFFAOYSA-N	419.377	6.052	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@@H](c2cccnc2)c2ccc(F)cc2F)cc1	543424022	IFEBVLGNUIKAGL-SANMLTNESA-N	411.455	5.778	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@@H](CC)c1nc(C(F)(F)F)cs1	544459082	YCGSOTLQWZBWGG-LBPRGKRZSA-N	415.506	5.119	30	20	HKED	
Cc1ccc(C(C)(C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1	546838034	SWOLLGAIXFIMMZ-OAQYLSRUSA-N	418.928	5.756	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c(F)c2)cc1C	548774596	HJIFBSKYEOAWJA-UHFFFAOYSA-N	413.496	5.202	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1	549294727	HKFIUKFQWFQEMY-ABVOBTCJSA-N	406.570	5.340	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	554446660	KLTDUAHLKILMNA-UHFFFAOYSA-N	410.905	5.242	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1Oc1ccncc1)c1nc2ccccc2n1C(F)F	555074575	BQUHXLGACMQWMX-MRXNPFEDSA-N	404.376	5.109	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1OCCc2sccc21	561838385	WXWHCRBLRHZZID-NYHFZMIOSA-N	420.559	5.203	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1	575160391	CAHWRZNXFOWOBI-IBGZPJMESA-N	421.497	5.005	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2)cc1	592974598	VAZAPBREISHLBU-LJQANCHMSA-N	413.433	5.589	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(OC(F)F)cc1	603533273	YZRWDOOWBOWZPM-UHFFFAOYSA-N	424.422	5.383	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)COc3ccccc3-c3ccccc3)cn2)c1	603622343	TVKXEYPQJGSRRD-UHFFFAOYSA-N	421.456	5.430	30	20	HKED	
COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2C2CCCCC2)cc1	603982754	GCCOLRWYUYFSJZ-QFIPXVFZSA-N	418.566	5.686	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cn2)cc1	604470436	YWGUATBDUQLJON-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1	606766826	KXZAWROAPYCKBL-UHFFFAOYSA-N	413.399	5.288	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2)cc1	609175907	OBQSLKJDHGMUEQ-XMMPIXPASA-N	414.461	5.161	30	20	HKED	
C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(OC(F)F)cc1	609221889	IRKFAVCGNIVZEH-HNNXBMFYSA-N	423.419	5.391	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCO[C@@H](c2ccccc2)C1	609230583	MKMWBHSRYFEEMY-JOCHJYFZSA-N	414.530	5.313	30	20	HKED	
CC(C)CN(CCc1ccc(F)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	609398340	VJTBHNWBZZRHLP-GOSISDBHSA-N	413.562	5.810	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2OC(F)F)c1	610174000	BATLYYHYFLGRRH-UHFFFAOYSA-N	421.831	5.050	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3OC3CCCC3)cc2)nc1	610912311	XKRJWKVCFFOLGE-UHFFFAOYSA-N	417.440	5.458	30	20	HKED	
Cc1ccccc1[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC(C)CC1	611393477	KUIZPVUQTUOSEQ-KGGRFHARSA-N	400.526	5.574	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3coc(-c4ccccc4Cl)n3)cn2)c1	611445520	ZSNWYEHQANNEPL-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1Cl	611871735	ANPNBWDOXSWPKO-SFHVURJKSA-N	408.910	5.659	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(-c4cccnc4)c3)cn2)c1	613460911	YFOALNRGFVXMRU-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccnc2)nc2sc(-c3ccccc3)cc2c1=O	618426827	BTGDEGJPKNMZFH-OAHLLOKOSA-N	405.548	5.559	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(Cl)cccc4s3)n2)cc1	619756453	OHHUAEYQQOZDDS-HNNXBMFYSA-N	424.934	6.177	30	20	HKED	
CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726073381	AHRHWNRUINLTTJ-DNQXCXABSA-N	411.505	5.550	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1	726733159	QJEALYXRVPQQKB-GOSISDBHSA-N	424.909	5.347	30	20	HKED	
N#CCCCOc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	726743345	DLYOIMPEOFRIEW-ZHACJKMWSA-N	418.474	5.902	30	20	HKED	
COc1ccccc1/C(C)=C\C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	727629125	RURQPYGLJUPFMV-LMRWQKIVSA-N	416.424	5.603	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc2cc(Cl)ccc2s1	728765618	NDHWQZOJYVMIKB-KBPBESRZSA-N	408.832	5.862	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccccc1	730685511	JGDGYWQYBODLPB-NTKDMRAZSA-N	412.514	5.855	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1	730936503	HEUFRQBHKZJPIP-LJQANCHMSA-N	424.545	5.099	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1cccc(Cl)c1Cl	731195231	BHOIMMOUFXWWPM-ZDUSSCGKSA-N	418.505	5.404	30	20	HKED	
C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc2ccccc2c1	731257214	SQVBHDCBYOSYSK-LJQANCHMSA-N	400.478	5.171	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3ccccc3Cl)n2)c1	733771035	JHMAFVCYDVXDHC-HNNXBMFYSA-N	411.914	5.074	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)c1	733787640	SWWWLIDDAXXRNW-CVDCTZTESA-N	415.537	5.325	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccco1	743294494	LIEZRSAXNAPASO-DHIUTWEWSA-N	416.525	5.140	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)Sc1ccc(Br)cc1)c1cccc(C#N)c1	743776695	FEWKYWDZAOEWIA-CYBMUJFWSA-N	403.345	5.069	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)cc1	747138002	ATKBNJKKPQOYBK-CXUHLZMHSA-N	407.857	5.399	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(C#N)cs1)C(=O)c1ccccc1	748440551	NAOHNHIWHYTREY-HYARGMPZSA-N	414.530	5.650	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cccc(C=NOc3ccccc3C(F)(F)F)c21	754708668	AIRZPLOJZJCWTA-UHFFFAOYSA-N	420.431	5.806	30	20	HKED	
N#Cc1ccccc1/C=C(\Cl)c1nnc(C(=O)Nc2ccc(Cl)cc2)s1	755583195	CLNBWRSXDNVMOJ-DHDCSXOGSA-N	401.278	5.052	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](OC(=O)c3occc3COc3cccc(C#N)c3)CCO2)cc1	757513159	QUALVZDOKHJCMC-PKTZIBPZSA-N	417.461	5.116	30	20	HKED	
Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(C(F)(F)F)cc2C#N)c(C)c1	758118169	ATYAEDKVKFDNOM-UHFFFAOYSA-N	418.415	5.078	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)nc1-c1ccccc1	763560797	OXYOGSLHTUDEAA-FGZHOGPDSA-N	401.510	5.207	30	20	HKED	
C[C@@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	765137150	BDCBCBUMVURPDI-ISKFKSNPSA-N	419.912	5.025	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)cs1	766507781	XYIAJDGUBXBUEW-CXSSSTRGSA-N	416.546	6.156	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1O[C@H](C)C#N	780681751	PANJDFGKSQPQJG-XLIONFOSSA-N	405.523	5.453	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2cnc(-c3ccc(C)cc3)s2)c2ncc[nH]2)c1	787170593	YCVIVHMAZHZLEN-MOSHPQCFSA-N	401.491	5.274	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc3c(=O)[nH]ccc3c2)cc1	789077472	TXRJLKMGPKZAER-UHFFFAOYSA-N	419.488	5.135	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1)c1ccccc1	793198754	LVOUAVLBIZVASY-CTNGQTDRSA-N	411.343	5.070	30	20	HKED	
CC(C)(C)OC(=O)N(CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1	797567801	LZRXWQFMQCXUTR-MRXNPFEDSA-N	413.543	5.059	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C(C)(C)c2cccc(Br)c2)s1	797572403	ZGCRZDUXRUZMNM-CQSZACIVSA-N	405.361	5.357	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](c2ccccn2)C1)c1ccc(C(F)(F)F)cc1	798443313	DEEIQFNWJIYBIQ-PXNSSMCTSA-N	403.448	5.307	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1coc(C2CCCC2)n1	802042416	FDJGCMBDWLETGL-SFHVURJKSA-N	415.449	5.086	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1	802824145	SUUDVLLBQYTSQA-UHFFFAOYSA-N	405.866	5.446	30	20	HKED	
N#CCCCC(=O)O[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	812617188	HRVGALZTRFDXCX-SFHVURJKSA-N	424.806	5.276	30	20	HKED	
Cc1ccc(SCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915353752	WTESSBSRGPMDJW-HSZRJFAPSA-N	401.535	5.564	30	20	HKED	
COc1ccc(C(C)=NNc2nccc3sccc23)cc1CSc1ncccn1	915979832	KRZMQEJYLSLIHL-UHFFFAOYSA-N	421.551	5.223	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN=Cc1c(Cl)cccc1Cl	916240907	VASGLNXNFGFLJM-UHFFFAOYSA-N	423.134	5.275	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C	916903599	PQIVIRBIVJGZHK-LJQANCHMSA-N	417.534	5.205	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccccc2)n1	916944619	JGWXCHVJMNAZAN-OAHLLOKOSA-N	416.289	5.078	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917043940	PIAQPCPSRNYQOM-HNNXBMFYSA-N	413.424	5.455	30	20	HKED	
CC(C)(Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917047541	ZQPISNQJZLXVSM-CQSZACIVSA-N	405.306	5.637	30	20	HKED	
Cc1nn(C(F)F)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	920875270	UXOBVLKAEDMWIM-HNNXBMFYSA-N	420.872	5.091	30	20	HKED	
C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1	1822393984	LEABAGWOXZADHD-FQEVSTJZSA-N	414.594	5.202	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(C)c2C)cc1	10168262	BHGKBNXANPPPLF-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
C[C@@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	11185881	USOAIAHBVYJTEI-XUIVZRPNSA-N	423.683	5.102	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCSc2ccccc2)cc1	15136696	ILBFKKOANHBRPL-UHFFFAOYSA-N	404.560	5.373	30	20	HKED	
C=CCN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1	18973526	JXPHRALKXXLQAF-UHFFFAOYSA-N	422.554	5.355	30	20	HKED	
COc1ccc(Cc2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cc1	22414146	QEBZTUXULPUFBK-UHFFFAOYSA-N	413.502	5.500	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2C2CCCC2)cc1	56638983	FUQLGILINKYAGQ-XMMPIXPASA-N	403.526	5.518	30	20	HKED	
COc1ccccc1C(C)(C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	58684410	AKGUXPUCHIFPMD-UHFFFAOYSA-N	400.478	5.062	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCOc4c(Cl)cccc43)c2)c1	108978914	HGIQKMBYHVQUPR-QHCPKHFHSA-N	404.897	5.404	30	20	HKED	
Cc1cccc(C)c1NC(=O)CN(C)CCC(C#N)(c1ccccc1)c1ccccc1	216476467	QGWZLQHBIISMDY-UHFFFAOYSA-N	411.549	5.074	30	20	HKED	
C=CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	302924453	AKIOACAZRCXOKM-UHFFFAOYSA-N	401.293	5.800	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccccc1C(F)(F)F	303419968	YAMCBZLOIJHPCV-HNNXBMFYSA-N	421.488	5.028	30	20	HKED	
C=C(C)[C@H](NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1)c1ccc(F)c(F)c1	426137410	GVKVTTISOCOIKR-QFIPXVFZSA-N	418.459	5.112	30	20	HKED	
Cc1nc(CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1	426709853	FZEGAFLRLPJYKK-UHFFFAOYSA-N	409.486	5.003	30	20	HKED	
Cc1c(C(=O)N(C)c2ccc(Br)cc2F)sc2ccc(C#N)cc12	429890373	XFUFGHQDRVXEAR-UHFFFAOYSA-N	403.276	5.260	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1ccc(C#N)cc1	430195849	KWGWXPCRAVAOQW-ORAYPTAESA-N	416.294	5.068	30	20	HKED	
CCCn1ccnc1CCCN(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1	430503663	DQFNPVUGVGNWFH-UHFFFAOYSA-N	418.566	5.021	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc3sc(N4CCCC4)nc3s2)s1	430589393	AHKSQDNFUNEGST-NSHDSACASA-N	416.597	5.202	30	20	HKED	
C[C@@H](c1ccc(C#N)cc1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	430732070	YPTBTMIBAYOACB-HXPMCKFVSA-N	414.292	5.094	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ncc(Cc2cccc(F)c2)s1)c1ccccc1	431701245	BMRHXRUTLODYHU-HXUWFJFHSA-N	408.502	5.430	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	433696923	LWDWMAXQRPGKCK-IVCWUUCSSA-N	404.476	5.444	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1F	434136092	CVYAJXWAKOFCFB-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3	434825986	KRRBXVDAEWDJLT-CVEARBPZSA-N	418.566	5.143	30	20	HKED	
N#C[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1ccc(OCc2ccccc2)cc1	436018312	CKKPDQSMPIBVKB-GZNCHQMQSA-N	416.443	5.315	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Br)c1	437263389	ARXBZKKBCBZUGU-ZWKOTPCHSA-N	403.707	5.014	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccccc1	439309002	BZDJDGWLGOLCIB-LJQANCHMSA-N	404.495	5.167	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@H](CCC#N)c3ccccc3)c3c(C)noc3n2)c(C)o1	439661598	ACYZKFLZJPYUPG-HXUWFJFHSA-N	414.465	5.183	30	20	HKED	
CCCc1c(NC(=O)Nc2c(C)cccc2SC)cnn1-c1cccc(C#N)c1	439700025	ZTAFDWRCLRMYTI-UHFFFAOYSA-N	405.527	5.371	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(CCC(F)(F)F)c1	441106674	YYWZTBNKEXGZKT-VQTJNVASSA-N	401.432	5.485	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	446895870	GFTUJWQPCNTFEG-QHAWAJNXSA-N	415.459	5.470	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	460543732	CNKUCRZXSPZNIP-CRAIPNDOSA-N	407.345	5.006	30	20	HKED	
Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)[C@H](C)c1cccc(C#N)c1	464320213	LVTWSYCCSWWATF-CQSZACIVSA-N	421.285	5.339	30	20	HKED	
CCO[C@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1=CCCC1	465034142	ZOZACLXLFPQOHS-XMMPIXPASA-N	406.501	5.132	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-c2cccc(OC)c2)cc1	466125215	TUTFVHVVWYOWBD-UHFFFAOYSA-N	411.505	5.132	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc1	467072754	OKBWKTUIUBZWTH-QFIPXVFZSA-N	420.497	5.542	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C	468026763	ANAOIEUIOMCKHI-UHFFFAOYSA-N	421.444	5.230	30	20	HKED	
COc1ccc(Nc2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1	469321810	QBBPZDCGFHFMOZ-AWEZNQCLSA-N	424.551	5.542	30	20	HKED	
CC(C)[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2ccccc2o1	469339249	FSBLVJBJZUCEPX-RUZDIDTESA-N	401.510	5.825	30	20	HKED	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	470524542	WTKATCMOJCTBLJ-INIZCTEOSA-N	415.921	5.068	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC1CCN(c2ccncc2)CC1	475579408	HFIVSDZYKSLERB-UHFFFAOYSA-N	406.574	5.314	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSCC(=O)c1ccc(Cl)cc1	476145931	LHRBGWYGNZCVAV-UHFFFAOYSA-N	401.959	5.747	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)cc1	477785913	DSCNDJVUZHYPFE-FQEVSTJZSA-N	421.378	5.449	30	20	HKED	
Cn1cc(CNc2ccc(COCc3ccccc3)cc2)c(-c2ccc(C#N)cc2)n1	478220547	AMZZBLSIZBDCCN-UHFFFAOYSA-N	408.505	5.288	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2ccncc2)n1-c1ccccc1	479216071	XRGBFGLEWWILCP-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
Cc1c(C(=O)N(C)c2cc(Cl)ccc2C#N)sc2nc(C(F)(F)F)ccc12	479564776	HKENLHIPVDVOPI-UHFFFAOYSA-N	409.820	5.425	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1cccs1	481392789	VUUWYTCNCSTNGM-HNNXBMFYSA-N	412.584	5.435	30	20	HKED	
CN(C[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	481691975	AJTQUGXMJSTFQK-UCNVEGJOSA-N	411.933	5.010	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(OC(F)F)c4cccnc34)CC2)cc1	482064582	BHGBOBOKESMURW-UHFFFAOYSA-N	420.419	5.029	30	20	HKED	
CN(CC1CC1)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	482312466	AGONDOCDQWTZMH-LBPRGKRZSA-N	422.291	5.379	30	20	HKED	
CCc1ccc([C@@H]2CN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CCO2)cc1	484149038	WBMFIBBSQNKKAQ-UTKZUKDTSA-N	409.555	5.249	30	20	HKED	
CCc1ccc([C@H]2CN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CCO2)cc1	484156335	GZGXFNVWEMLEHO-LAUBAEHRSA-N	409.555	5.106	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1nc(-c2cc(F)c(F)c(F)c2)no1	486441359	ZOIPKROHAPJSEA-LLVKDONJSA-N	404.417	5.018	30	20	HKED	
Fc1ccc2cc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)[nH]c2c1	486722361	OMMPZEFWNHRASD-QGZVFWFLSA-N	404.329	6.109	30	20	HKED	
C=C(C)COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OC	488009011	STPCJVOPAOROPV-HSZRJFAPSA-N	404.466	5.010	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOc2ccc(F)cc2C1	488380946	REESFAHSUUVDOY-UHFFFAOYSA-N	417.440	5.225	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccncc1	489402801	ZWAXVEBZLINUPN-MRXNPFEDSA-N	403.511	5.425	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(F)cc2F)nnc1-c1cccc(Cl)c1	489629147	AWKGOOROMFHWQC-UHFFFAOYSA-N	405.857	5.038	30	20	HKED	
CN(Cc1ccccc1NCc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCCC1	490357006	ZXDYYEUEJDPTQO-UHFFFAOYSA-N	413.569	5.335	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(OC(F)F)c1	491410742	RDUSRANQIDXDKO-OAHLLOKOSA-N	422.300	5.154	30	20	HKED	
C=CCc1cc(CN[C@H]2CCOc3c(-c4ccccc4)cccc32)cc(OC)c1O	500889685	JSWRNQKQJAUINO-QHCPKHFHSA-N	401.506	5.410	30	20	HKED	
N#C[C@@H](NC(=O)c1occc1COc1ccccc1)c1cccc(Cl)c1Cl	505313641	HPQRUYHKPKSQFY-QGZVFWFLSA-N	401.249	5.160	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(-n2cccn2)c(F)c1	505344092	PKBDPYXQKVEGGE-QGZVFWFLSA-N	410.452	5.041	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505831868	OBICPWDLHBMWLR-UHFFFAOYSA-N	421.394	5.249	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	506234682	SEAPBAZHHBZFFE-HNNXBMFYSA-N	423.494	5.050	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N[C@@H](C)c1ccc(F)cc1	510184657	XTCIWYMZYUEMCS-HOTGVXAUSA-N	405.498	5.117	30	20	HKED	
CC(C)[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1	510812519	PMBNWNZOGYZWOQ-QFIPXVFZSA-N	411.933	5.162	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1c(F)cccc1Cl	510907342	VLMACLYIELDOMI-UHFFFAOYSA-N	423.875	6.115	30	20	HKED	
C=CCCc1ccccc1NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1	512779104	NNBAFESOUGDDNK-UHFFFAOYSA-N	409.917	5.455	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1CCC(F)(F)F	513280681	CSUDEWQFPBOEOI-MRXNPFEDSA-N	407.329	5.744	30	20	HKED	
Cc1sc(NC(=O)c2cccc(CC#N)c2)nc1-c1ccc(Br)cc1	514424514	MQBQIZCQFSKXOM-UHFFFAOYSA-N	412.312	5.199	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCOc3ccccc32)cc1	519488151	WHKYXAMPRVKFMY-HXUWFJFHSA-N	414.530	5.147	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	520316049	ZLQZHUSHBDUBDF-VHDGCEQUSA-N	405.350	5.987	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C	520809005	AHXIUDMEHNDSNW-LJQANCHMSA-N	423.532	5.369	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)oc12	521153131	PIMPBWCQFJYECV-SFHVURJKSA-N	419.525	5.632	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1	522233116	ATOAUJBKFPPAED-MGPUTAFESA-N	417.465	5.397	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1occc1COc1cccc(C#N)c1	522482428	LERXIVYBOHUPJW-UHFFFAOYSA-N	412.898	5.274	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCOC2CCCCCC2)cc1	522793599	VXUKYULRTLFDMO-UHFFFAOYSA-N	408.567	5.320	30	20	HKED	
CCC(CC)N(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	526118059	SHBWHZAZMWURJL-NRFANRHFSA-N	423.944	5.114	30	20	HKED	
N#Cc1ncccc1Oc1ncnc2scc(-c3ccc(Br)cc3)c12	530377815	AQKDFTQDUZKTML-UHFFFAOYSA-N	409.268	5.180	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1	534137032	LNNFFCGSZZJFQH-HXUWFJFHSA-N	410.517	5.330	30	20	HKED	
N#Cc1ccc(OC2CCC(NCc3csc(-c4ccc(Cl)cc4)n3)CC2)nc1	536637562	JBGQEFCGZPBLIG-UHFFFAOYSA-N	424.957	5.210	30	20	HKED	
C=CCCOCCCCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C	539520046	KGGAUKLRMOCHEL-HDICACEKSA-N	420.981	5.445	30	20	HKED	
CS(=O)(=O)c1ccc(-c2nc(CSc3cccc(Cl)c3C#N)cs2)cc1	542101633	GGIAPJIUTPLPQG-UHFFFAOYSA-N	420.968	5.031	30	20	HKED	
CC(=O)N1CCc2c(sc3nc(-c4cccc(C#N)c4)cc(-c4ccc(C)cc4)c23)C1	542514313	FQRQMVMYCHIVFS-UHFFFAOYSA-N	423.541	5.715	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4cccs4)o3)n2)cc1	543059034	MTWXFXGNCGNXHM-HNNXBMFYSA-N	406.488	5.630	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Oc4nncc5ccccc45)cc3)cc2)CC1	543103186	DOBRTAOEEBOUQU-UHFFFAOYSA-N	406.445	5.230	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccn(C)c2C2CCC2)cc1	559396163	DVWMAISGCNGDTQ-UHFFFAOYSA-N	401.466	5.217	30	20	HKED	
N#CCCC[C@@H](NCc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1	560561928	MLQYRBJSHAYJGM-OAQYLSRUSA-N	411.958	5.900	30	20	HKED	
C[C@H](N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(-c2cccc(C#N)c2)cc1	563646672	UDYSDNRVNPHRAI-DLBZAZTESA-N	416.475	6.382	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@H]3c3ccccc3)c2)c1	568811940	KNBVMQDNZUVICM-DEOSSOPVSA-N	424.504	5.570	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H](c4c(F)cccc4F)C3)cc2)ccn1	577151807	RRBVWBVFAZEKHG-OAHLLOKOSA-N	420.419	5.045	30	20	HKED	
C=CCN(C(=O)CCc1ccccc1OC(F)(F)F)c1nc2c(s1)CCCC2	589289606	RCDFWLLQGYADAL-UHFFFAOYSA-N	410.461	5.072	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	601888428	PUZGMPXHHRNSCS-HUUCEWRRSA-N	414.434	5.674	30	20	HKED	
COc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc(Cl)c1OCC(C)C	603527674	VVKKWFQTTIHWAL-UHFFFAOYSA-N	414.933	5.306	30	20	HKED	
COc1cccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2-c2ccccc2)c1	604044397	KWBUNSBGGJMYNQ-JOCHJYFZSA-N	412.518	5.170	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2C)cc1	604096742	BRZZGPLRYSCUHQ-DEOSSOPVSA-N	417.553	5.048	30	20	HKED	
Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1	604500172	KCSNINXQFRTNDO-HNNXBMFYSA-N	405.420	5.341	30	20	HKED	
CC(C)CCc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1	604537985	ZCRLKLWYUQZWKY-UHFFFAOYSA-N	418.541	5.029	30	20	HKED	
COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c(Br)c1	604566832	ISARYWWIGCLWRB-UHFFFAOYSA-N	413.296	5.310	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	609213497	PWUMSXVIYKPWIR-HXUWFJFHSA-N	420.513	5.040	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	609401954	MZHBSYRHXVVDRF-CYBMUJFWSA-N	408.354	5.909	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2)CC1	609439069	WCPGENITPSAJBJ-LJQANCHMSA-N	422.598	5.115	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	609573087	ZPTLHCNNGFNWTL-JOCHJYFZSA-N	418.928	5.833	30	20	HKED	
Cc1ccc(C[C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	610027237	YHDMEPVRCPFBML-QGZVFWFLSA-N	421.541	5.410	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1	610174908	LTVBTSBLAZFZMD-QGZVFWFLSA-N	423.582	5.309	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1	611183683	YUZJVLDOSDEDHD-UHFFFAOYSA-N	413.449	5.683	30	20	HKED	
COc1ccc(-c2nc(CNc3ncc(Cc4ccc(C#N)cc4)s3)cs2)cc1	612624974	AGEBVKAGGYFFOM-UHFFFAOYSA-N	418.547	5.350	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(F)ccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	613319140	QMWYSRHOVRFANN-OAHLLOKOSA-N	412.898	6.307	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)nc1)c1nc2cc(C(F)(F)F)ccc2s1	613403227	CCBBMLMIPRLOBV-JTQLQIEISA-N	415.318	5.219	30	20	HKED	
CC(=O)N1CCCCC[C@@H]1C1CCN(c2c(C#N)cnc3ccc(C(C)C)cc23)CC1	618584148	GTWPTHJWNWBAHM-RUZDIDTESA-N	418.585	5.237	30	20	HKED	
N#Cc1ccc(CCC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)cc1	619123256	WLKVCACEAQQQKG-UHFFFAOYSA-N	417.921	6.119	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H](C)c1cccc(C#N)c1	619529191	VKNYWOUBTAUHOI-LLVKDONJSA-N	400.265	5.320	30	20	HKED	
Cc1cnc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc1-c1ccccc1F	645033559	VJRQRVNHKAGUDD-RYUDHWBXSA-N	407.333	5.158	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1	669727675	CPINZHAJGOLWDB-UHFFFAOYSA-N	402.498	5.267	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678769249	QKJGTQSASSAKKX-KNVOCYPGSA-N	410.692	5.213	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)s1	681356610	GKYAIIKHMJWQCN-HNNXBMFYSA-N	407.495	5.666	30	20	HKED	
CC(C)(C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1F	682711226	ATUCBZLIOHITSX-UWVGGRQHSA-N	419.768	5.346	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=S)NC1CCN(c2ccc(C#N)cn2)CC1	727289299	LKIOLVYKQQCXRS-UHFFFAOYSA-N	421.614	5.155	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(Cc2ccccc2)CC(C)(C)C)c1=S	728902080	DAFMBUXLAPQCDS-UHFFFAOYSA-N	407.587	5.168	30	20	HKED	
CC1(c2ccccc2)CC(=NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1	729639036	RQYGFDIEENNBQG-UHFFFAOYSA-N	405.523	5.007	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccccn1	730395178	CNZNLPMJEGTKCZ-IERDGZPVSA-N	413.329	6.098	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1	730398599	KZFFHCZUHOZUQC-WZONZLPQSA-N	416.864	5.786	30	20	HKED	
N#C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1	731646168	YWRVTGXVLQVIGV-CQSZACIVSA-N	404.080	5.060	30	20	HKED	
Cc1ccccc1[C@H](C)CC(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N	734909231	SSWDIXFJASOJMR-QZTJIDSGSA-N	410.539	5.065	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cs1	736829779	UXRPUUUDQZUOKI-MRXNPFEDSA-N	422.506	5.048	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3csc(COc4ccccc4)n3)c2)s1	740011187	JWYSPPQDQSQTSS-UHFFFAOYSA-N	417.559	5.612	30	20	HKED	
Fc1cc(F)c(NN=Cc2ccccc2OCc2ccccn2)c(Br)c1	741772269	RCEVTLRLHVVQNQ-UHFFFAOYSA-N	418.241	5.147	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)C3(Cc4cccc(Cl)c4)CCCC3)o2)c1	745165950	UVWHIOOMCALOCG-UHFFFAOYSA-N	421.884	5.108	30	20	HKED	
COc1cccc(-c2n[nH]cc2/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)c1	746347078	XHVGJQJHZXFFPR-SOFGYWHQSA-N	416.449	5.305	30	20	HKED	
COc1ccc(CNCc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1C#N	746740542	FUGVCYNYVKIVIE-UHFFFAOYSA-N	408.933	5.129	30	20	HKED	
COc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OCCCC#N	747362687	AFAUHZKRGGUPNE-HMMYKYKNSA-N	418.493	5.020	30	20	HKED	
N#Cc1ccc(O)c(NC(=O)c2sc3cc(Br)ccc3c2Cl)c1	748410991	RRIPCLKYDYBZGJ-UHFFFAOYSA-N	407.676	5.147	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccccc1CC	749101979	JQDYQWMOKUJLQC-UHFFFAOYSA-N	407.352	5.536	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1N1CCSCC1	750317712	APHNJSIVYNVNRU-UHFFFAOYSA-N	422.598	5.110	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	756232323	SOTFJXNOVHOBAC-ZDUSSCGKSA-N	423.271	5.814	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	757758980	BEDQMGQCSRLMIJ-DEOSSOPVSA-N	409.489	5.218	30	20	HKED	
CCCOc1ccc(C=NO[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC	758410928	OFOXQTZTOIMVII-QGZVFWFLSA-N	409.486	5.263	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ncc(C#N)s3)c2c1C	759630146	CCRYLMMDBMSDQS-UHFFFAOYSA-N	423.548	5.040	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1	760786582	VKPMHNBPPNAMBW-UHFFFAOYSA-N	418.396	5.310	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc3ccc(Cl)cc23)c(Cl)c([N+](=O)[O-])c1	764301508	BWKKNFGROIHJST-UHFFFAOYSA-N	406.250	5.169	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1sc(-c2ccccc2)nc1C(F)F	774303580	XWGBDTVAVSEWRW-CQSZACIVSA-N	420.387	5.318	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	775235164	SOJUFDUDVOJRQW-KRWDZBQOSA-N	405.523	5.494	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1	777566508	VOCIZNKAMAMSQR-XZOQPEGZSA-N	415.468	5.517	30	20	HKED	
C[C@H](N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(OCC#N)cc1	779082799	RDDOMFLTNBXOSM-GAJHUEQPSA-N	421.541	5.664	30	20	HKED	
C=CCCN(OCc1ccccc1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1	782448130	CQLFQJYRRJWDMM-UHFFFAOYSA-N	400.404	5.072	30	20	HKED	
C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(-c2cccc(C#N)c2)cc1	782524075	PGJWJTRRIZYDKW-QGZVFWFLSA-N	401.897	5.632	30	20	HKED	
Cc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Cl)c1C	783274494	TVOQRDGNYQMNCN-CQSZACIVSA-N	416.930	5.147	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(Cl)c1	783982790	POJZZGDKYOVOLT-UHFFFAOYSA-N	417.925	5.206	30	20	HKED	
Cc1ccncc1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	784834166	XSOPNOBPWKNSKL-ASKPUQFJSA-N	414.317	5.710	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(C)c(Br)s2)ccc1OC	796305228	NIZACKIRCLHHJE-ZFWWWQNUSA-N	423.376	5.359	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1	798816106	HKKVCBCOBPDPHA-KUHUBIRLSA-N	416.443	5.281	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc(C(=O)C(C)C)cc3)n2)cc1	802043745	OUKBFZQSYOLMRN-UWJYYQICSA-N	416.546	5.937	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Cl)cc1	810153718	KAFVRPWRQVADNE-GOSISDBHSA-N	409.898	5.150	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl	815908196	VMXLTQAZIFRRCM-KRWDZBQOSA-N	420.852	5.102	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2[nH]1	916844714	YCDDZUBKZSDAMC-SLWQEBJJSA-N	403.894	5.834	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1Cl	916886507	HGVFDRMREFSCFN-MRXNPFEDSA-N	422.884	5.243	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1	916907672	ZOUIRNOLARGVMC-QHCPKHFHSA-N	424.500	5.248	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C	916907962	OLDFMYMFDORGQU-XMSQKQJNSA-N	420.553	5.358	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc2c(c1)-c1ccccc1C2	916938427	KMNSZHKEYVZVTP-LJQANCHMSA-N	404.828	5.011	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3ccccc3C2(C)C)cs1	920070379	QDQNYFVOAFORBG-NDENLUEZSA-N	422.937	6.039	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccc(C)c(C)c3)n2)cc1	920143475	QDUHAXDCCVHSDW-HXUWFJFHSA-N	422.575	5.794	30	20	HKED	
CC(C)Oc1cccc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	921137261	XYMLGPXKNFCWQW-INIZCTEOSA-N	412.461	5.294	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)nc3C)cc2)CCC1	1789918631	AMHNCIGBRILNMX-HXUWFJFHSA-N	421.516	5.045	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1823752386	RNABSYFTYBNNCO-XZOQPEGZSA-N	414.634	5.345	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1	1829065177	UVSVIGWHYLOMKK-UXHICEINSA-N	424.576	5.034	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1	6071445	QZABMZWKFHSCAS-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
N#Cc1cccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1	15644245	QMAUZXLJUYLKGL-UHFFFAOYSA-N	401.516	5.591	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2C)c1	32290622	AIAKSCUXNZFOCK-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
CC(C)(C)c1ccccc1NC(=O)CNc1ccccc1Oc1ncccc1C#N	55844401	VHTBPCLVMKFYCE-UHFFFAOYSA-N	400.482	5.094	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12	62905275	ZHFSNCCBIJMJTI-UHFFFAOYSA-N	422.488	5.207	30	20	HKED	
C=CCc1cc(CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc(OC)c1OC	65064330	MOTZFZBVVDAHRC-KRWDZBQOSA-N	419.521	5.014	30	20	HKED	
Cc1ccc(C#Cc2nc3ccc(Br)cc3nc2-c2ccc(C)cc2)cc1	98177959	ROMLCMXFOPGAMP-UHFFFAOYSA-N	413.318	6.076	30	20	HKED	
C[C@H](Sc1ccnc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2	111217069	KAGMXDMATCJDJE-AWEZNQCLSA-N	407.564	5.556	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303708658	TUWTYRCWVHAPDP-UHFFFAOYSA-N	412.333	5.182	30	20	HKED	
C=CCCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC	410375834	ZRVXBRKXSRJVIF-UHFFFAOYSA-N	406.555	5.123	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)nc1-c1ccccc1	427002403	OPDITINUIDEVTH-NRFANRHFSA-N	414.509	5.112	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1-c1ccccc1	429984438	LUPMGOBRFDZFAX-UHFFFAOYSA-N	407.477	5.460	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C#N)cc2Cl)c2cc(Br)ccc2n1	430371945	QXVAMJMCLUFKLX-UHFFFAOYSA-N	400.663	5.083	30	20	HKED	
O=C(NC[C@H]1CCC(F)(F)C1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	430971825	PPAMDPPGDOVRJL-GWCFXTLKSA-N	418.328	5.434	30	20	HKED	
CCN(CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	431218883	XCZKAYLFINTVBH-GBESFXJTSA-N	402.608	5.103	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431854131	MNNUZILASLCKQW-NQIIRXRSSA-N	418.566	5.914	30	20	HKED	
N#CC(CCSc1nnc(-c2cccs2)o1)(c1ccccc1)c1ccccc1	434641906	ALZODCFPGKDQPW-UHFFFAOYSA-N	403.532	5.790	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)CC2)c1	435148344	NHWSCJSPIYARBF-UHFFFAOYSA-N	409.514	5.429	30	20	HKED	
N#Cc1cccnc1OC1CCC(N[C@H](c2cccnc2)c2cc3ccccc3o2)CC1	437095126	WONRUBWOWBRYIP-XUNZJTMSSA-N	424.504	5.164	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC1CCC(Oc2ncccc2C#N)CC1	437108716	OTFQSADWZUCXQW-YMTQGWHGSA-N	418.566	5.426	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)Cc1nnc(-c2cccc(C#N)c2)o1	441279267	SVBMXIOVHWXYLS-UHFFFAOYSA-N	400.404	5.038	30	20	HKED	
C[C@@H](C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1cccc(C#N)c1	463941899	FOLMMXYNDOCREZ-FZKQIMNGSA-N	415.356	5.120	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1Br	467124483	CYBFVRAGXOONLO-UHFFFAOYSA-N	422.282	5.263	30	20	HKED	
Cc1c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cnn1C1CCCC1	470175556	ZTJPCKDYTRUQCH-UHFFFAOYSA-N	400.482	5.010	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C4CCCCC4)CC3)cc2)cc1	473631083	KKFOUFGVGUESQT-UHFFFAOYSA-N	418.541	5.269	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccccc1	473780766	KHWWQTWQGZNINQ-QGZVFWFLSA-N	413.403	5.058	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccnc1C(F)(F)F	475496148	VEKONNANUZBBFX-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)n1	475512132	NEHGCYSZWXSGPL-CYBMUJFWSA-N	404.413	6.035	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	475616293	FVDZNHVGOFRRLL-BRWVUGGUSA-N	415.990	6.390	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1	476855966	UFAYDTFLEZJLJA-LJQANCHMSA-N	412.917	5.341	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](c1ccccn1)c1ccccc1OC)c1ccc(F)c(F)c1	477757847	XHJNJKALADXZFT-GOTSBHOMSA-N	423.463	5.074	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2)[nH]1)c1nc(-c2c(F)cccc2F)cs1	477847186	QIBLMTXQBRYXCJ-CQSZACIVSA-N	405.429	5.573	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)c1	479744077	JWLGTLXDUXKTBY-RBUKOAKNSA-N	404.388	5.010	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)nc1-c1ccccc1	481051812	CRPNRUGDDXGNDD-OAQYLSRUSA-N	414.509	5.383	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	481625918	MVQAQUNSVOYYOU-SFHVURJKSA-N	417.484	5.810	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(C#N)cc2)nc1-c1ccccc1	481721029	HHRSRLKMSZJLCL-HXUWFJFHSA-N	400.482	5.706	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2cncnc2)cc1F	484058572	XIWUVOIPRNWFEA-UHFFFAOYSA-N	400.438	5.135	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1Cl	484164883	SLGXOCARKYASMU-QGZVFWFLSA-N	419.699	5.136	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	484169971	AZJUZOLHZVGHMI-YWZLYKJASA-N	421.932	6.115	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(F)cc1Br	485463241	HZFUZUKBDDJJFL-LBPRGKRZSA-N	407.308	5.021	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12	487959147	QOZSCBGFFORRCJ-UHFFFAOYSA-N	410.852	5.495	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccccc1	489210389	BAFYSMJDRWQUCS-GOSISDBHSA-N	408.408	5.319	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(Cl)cc2)nnc1[C@@H]1COc2ccccc2O1	498732190	AVJVCJDTXAKBSH-KUHUBIRLSA-N	413.930	5.483	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	500242662	AOWYYDIIKUKAAC-LJQANCHMSA-N	424.394	5.071	30	20	HKED	
CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1C	502654262	OKLZBZVOGBUFER-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCC1)c1ccccc1	503682438	SDEAYVDAPVIEDX-OAQYLSRUSA-N	421.566	5.069	30	20	HKED	
C=CCN(C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC)c1ccccc1	504282916	XVLMHCHLWPZAPP-GOSISDBHSA-N	406.555	5.227	30	20	HKED	
Cc1noc(-c2ccccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1	505439921	KCHNMTPGJUMIQT-KRWDZBQOSA-N	420.881	5.312	30	20	HKED	
CCOc1ccc([C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1	505564016	CCUUQMSPISNQGT-XMMPIXPASA-N	413.521	5.798	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cccc(C)c2)cc1	507846019	UKOLJIYDEKZJLJ-QGZVFWFLSA-N	401.466	5.107	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1OC	510298697	NFOFUJAQEDZECN-OAHLLOKOSA-N	406.507	5.121	30	20	HKED	
CCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(C#N)cc1	510380314	RWVXMZKVXZPLIC-UHFFFAOYSA-N	412.518	5.165	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc2c(c1)OCO2	510536723	FADPLFABALGDBM-MRXNPFEDSA-N	415.449	5.270	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccnc(Oc4ccccc4)c3)o2)cc1	511332276	HKZPXBUXDBWCHH-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1OC(F)F	511580552	XGWQCUICBGFFPH-UHFFFAOYSA-N	424.403	5.521	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1CCC[C@@H](C(F)(F)F)C1	511701730	LLLWSDCCMIRTHX-DMDPSCGWSA-N	419.312	5.376	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCC(OC(F)F)CC1	511962062	WJGBTIRVTUZZFS-UHFFFAOYSA-N	416.443	5.337	30	20	HKED	
CCN(C(=O)NCC(C)(C)CCC#N)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1	513112813	FSISBQODODUVPB-LJQANCHMSA-N	407.558	5.785	30	20	HKED	
Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	514574861	COKQCCRQORYJFW-UTKZUKDTSA-N	406.917	5.399	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)N[C@H](C)c4ccc(C#N)cc4)CC3)c[nH]c12	516380491	PGLTXUHNOBEMMI-QGZVFWFLSA-N	400.526	5.252	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1Oc1ccncc1	523797330	XIZBOQNZHYDEEN-LJQANCHMSA-N	412.474	5.191	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2scnc2-c2ccccc2)cc1	524378412	RSNACNLNWIMPFA-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
CCN(C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)[C@@H](C)c1ccc(C#N)cc1	525046763	LZJCHXQPLSSEAN-KRWDZBQOSA-N	416.525	5.420	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1	525532040	WQXNSDGUJRKGIQ-MOPGFXCFSA-N	414.505	5.221	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1cccc(Br)c1	530591557	GPVAEJRZHSHKQK-AWEZNQCLSA-N	403.345	5.272	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1cccnc1)C1CC1	535483371	CFLWJPLDGYJECH-XMMPIXPASA-N	412.493	5.114	30	20	HKED	
N#C[C@H](C(=O)c1cnc([C@@H]2CCCO2)s1)c1nc(-c2ccc(Cl)cc2)cs1	536349015	HPXRDSDVXKOODM-HIFRSBDPSA-N	415.927	5.262	30	20	HKED	
C=CCCOCCCCC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@@H]1C	537314432	MMKPVESYSKKBJL-NRFANRHFSA-N	420.553	5.108	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl	538187531	JPOVBDFGUDBOJR-AOMKIAJQSA-N	415.990	5.517	30	20	HKED	
C=CCC[C@H](NCc1nc(O)c2c(C)c(C)sc2n1)c1ccc(C(F)(F)F)cc1	538231130	YRPYUDVGEWARJM-INIZCTEOSA-N	421.488	5.830	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1nc2ccccc2[nH]1	540946906	PWTBIGCETMTPFF-IBGZPJMESA-N	406.420	5.407	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)C2CC2)cc1	542409687	YJIPDVOMMFUCPU-QHCPKHFHSA-N	416.912	5.070	30	20	HKED	
CSc1cccc([C@H](NC(=O)N2CCC(CC#N)CC2)c2cc(F)ccc2F)c1	543824735	OSUXBQDUGQNORK-NRFANRHFSA-N	415.509	5.111	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc(C)c(-c2ccc(Cl)cc2)o1	549198083	DBWUQIIUIYRBSM-UHFFFAOYSA-N	424.287	5.500	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl	554246596	UPYMRGQFYHQTGL-XLIONFOSSA-N	419.916	5.130	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC[C@@H]2CCCO[C@H]2c2ccccc2)c1	557716650	YFPBASBAQUTCGC-IGKIAQTJSA-N	412.533	5.395	30	20	HKED	
CSc1c(F)cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F	558250529	VGMLXXVDMJXVSM-UHFFFAOYSA-N	408.314	5.035	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1	562146426	DJWHPPAUPNURRE-LJQANCHMSA-N	421.394	5.253	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ncsc3Br)c2C#N)C1	577374267	SVQNTXWNPXTIAQ-VIFPVBQESA-N	424.389	5.242	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(C(F)(F)F)s3)c2)c1	586749965	BNUHACXUBNVZIB-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
N#Cc1ccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1	589308822	JNIGFGQXSSSVQB-RYUDHWBXSA-N	418.303	5.576	30	20	HKED	
COC(=O)CCSc1cc(Cl)ccc1NCc1ccc(C(C)(C)C#N)cc1	600849972	KFQGHOHPFKQFNO-UHFFFAOYSA-N	402.947	5.408	30	20	HKED	
COc1ccccc1NC(=O)[C@H](Sc1nc(C)cc(C(F)(F)F)c1C#N)C(C)C	602756596	VXNSQARCLNCUAV-QGZVFWFLSA-N	423.460	5.045	30	20	HKED	
N#Cc1ccc(NC(=O)CSCc2csc(Cc3ccc(Cl)cc3)n2)cc1	604062890	XELZJXJGKVVEKL-UHFFFAOYSA-N	413.955	5.131	30	20	HKED	
N#Cc1ccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cn1	604690912	NZAZFKVJRBPJHV-UHFFFAOYSA-N	412.499	5.187	30	20	HKED	
CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1	607455204	MVUNMQNJQBUJOK-UHFFFAOYSA-N	416.546	5.015	30	20	HKED	
COc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	608785270	ITGUVLXAIDAGFC-HXUWFJFHSA-N	415.449	5.004	30	20	HKED	
CC(C)(C)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1C1CC1	609063592	FLWPAGNHEVZPBT-UHFFFAOYSA-N	414.509	5.218	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434544	WRLVXMQDLRRRTC-NRFANRHFSA-N	403.507	5.953	30	20	HKED	
COc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)cc1	610090087	LTEBAMBTYABTQB-WAIKUNEKSA-N	419.912	5.370	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nccs1	610094534	NJXZCNOWMWBHLT-JOCHJYFZSA-N	406.511	5.562	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)sc2c1-c1ccccc1CC2	610172218	FMPBSDUAJXFHDV-HZPDHXFCSA-N	406.457	5.406	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccc(C#N)cc1	610210618	AUZRSCZVUVKJPF-UHFFFAOYSA-N	412.468	5.856	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCC(F)(F)C3)cc2Cl)c1	610792542	KODAAXMRXNPTDT-MRXNPFEDSA-N	405.832	5.100	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(Br)c1	611111164	TWJUQGFWLWOHPK-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@H]1F	611503458	FKADSJKBPZPVDT-AUUYWEPGSA-N	401.869	5.002	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H]1F	611503460	FKADSJKBPZPVDT-KUHUBIRLSA-N	401.869	5.002	30	20	HKED	
CC(C)Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	613404277	OVRYUTVPXLFBQG-HNNXBMFYSA-N	404.413	5.592	30	20	HKED	
Cc1c(C(=O)N(C)c2ccc(C#N)cc2F)oc2c(C)cc(Br)cc12	614481196	LXJPNJDZLWLERX-UHFFFAOYSA-N	401.235	5.100	30	20	HKED	
CC(C)c1sc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nc1-c1ccccc1	614815017	QMGLOZWPFXFZNF-UHFFFAOYSA-N	416.333	6.364	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1cccc(C)c1	644492677	MEFAAXFGFHFCSY-UHFFFAOYSA-N	412.946	5.214	30	20	HKED	
Fc1ccc2c(c1)[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CCS2	675739511	XZSBRYBWSUQIDI-SVBLFDIKSA-N	401.391	5.862	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C\C(=O)c3ccc(OC)c(NC(C)=O)c3)ccc21	726429030	RIGSIWQEZUTWHC-RAXLEYEMSA-N	412.489	5.678	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)c1	726468735	GUUQELRXNXSBAP-GOSISDBHSA-N	416.546	5.303	30	20	HKED	
C[C@](CC(=O)O)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCCCC1	726603951	CSFAKVQRUMQLME-WIOPSUGQSA-N	404.510	5.342	30	20	HKED	
C=CCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1Cl	727253197	DQPPOWZOTVIVAG-UHFFFAOYSA-N	419.337	5.324	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2ccccc2OCC#N)cc1Cl)c1ccccc1	728024912	JLTLPJOHNKMJNZ-INIZCTEOSA-N	405.885	5.668	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2/COc3c(Br)cc(Cl)cc3C2=O)cc1	728697632	UJXHFQWZEDYWMH-PZHUPROXSA-N	418.674	5.052	30	20	HKED	
N#CCCSc1ccccc1NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl	730982531	SNNMCEDYNMPLIN-TWGQIWQCSA-N	410.848	6.016	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1	731991816	WCNIUUZPMYIWMI-UHFFFAOYSA-N	409.486	5.093	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2o1	732596527	WMLMGWKIWGOVLH-BHIFYINESA-N	408.457	5.387	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3c4ccccc4n(C)c3s2)c1	733775503	XRBLDTILFZWMED-MRXNPFEDSA-N	403.507	5.004	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)ccc1OC	737552966	FYWZTSDGFPFSMK-XMSQKQJNSA-N	408.542	5.310	30	20	HKED	
Cc1ncsc1/C=C1\CN([C@@H]2CCCC[C@@H]2C)C/C(=C\c2scnc2C)C1=O	742435053	RCMSFEIKKVBEBE-TXGQQKGLSA-N	413.612	5.147	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(N[C@H](C)C(C)C)c2C)ccc1OC	743409691	OLQXCZQOFCJAMB-UYAOXDASSA-N	423.557	5.071	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cn1ncn([C@@H](C)c2ccccc2)c1=S	746055831	HHMYZKLMAXKELQ-IBGZPJMESA-N	405.571	5.011	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2ncc(CC)s2)c1=S	747472338	GTTJUKPYFRSGHQ-UHFFFAOYSA-N	420.007	5.029	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1cc2cc(Br)ccc2o1	753142526	QZOKHNRFTRMGRC-AATRIKPKSA-N	411.280	5.610	30	20	HKED	
N#C[C@@H]1C(CN2CCCCC[C@H]2/C=C/c2ccccc2)=CC(=O)n2c1nc1ccccc12	753859911	BBSVITVNDCWHAE-GZDQNMDPSA-N	422.532	5.182	30	20	HKED	
C=CCn1c(SCOC)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12	755409704	WFPGGQHLMXVZDG-UHFFFAOYSA-N	402.523	5.351	30	20	HKED	
C/C(=C\c1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	756503359	GFTYJNQOMMSPJD-HBIYDYFMSA-N	423.925	5.209	30	20	HKED	
C#CC[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1	756997560	XMMDWPNMYMNFCS-QHCPKHFHSA-N	423.343	6.100	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)CCO2)cc1	757520706	NWGOVCRMWDUFTF-URXFXBBRSA-N	417.461	5.116	30	20	HKED	
N#CCCn1ncc(C(=O)OCc2csc(-c3ccsc3)n2)c1-c1ccccc1	759072323	ZWANEXONGZYUBI-UHFFFAOYSA-N	420.519	5.006	30	20	HKED	
COC1CCN(c2ccc(NCc3ccc(C#N)c(C)c3)cc2C(F)(F)F)CC1	767685942	MHMWULCXIYJJMK-UHFFFAOYSA-N	403.448	5.113	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(Br)ccc2F)cc1	771248301	BVDHEQFGXPXYBK-HXUWFJFHSA-N	423.285	5.425	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1	772981794	BECREWBUEOEWIP-JYFHCDHNSA-N	418.512	5.589	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)CCSc1ccnc2cc(Cl)ccc12	780156870	GRYCMNSPPTXEDP-CQSZACIVSA-N	411.914	5.300	30	20	HKED	
COc1ccc(-c2nc(/C=C\C(=O)c3ccc([N+](=O)[O-])cc3Cl)cs2)cc1	782191031	JMKWFSCQDJPCBK-WTKPLQERSA-N	400.843	5.276	30	20	HKED	
C[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccccc1	785489097	SAECJJSYEGXHKV-XXBNENTESA-N	418.500	5.491	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1	789453115	ZFQOVEHQOFCFCU-UHFFFAOYSA-N	401.551	5.013	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)on2)c1	789929364	NWAKGDOIOBRNTD-IBGZPJMESA-N	411.383	5.209	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2c(Br)c(C)nn2C)cc1	790600772	NOFDPRRUMQODOF-OUKQBFOZSA-N	411.299	5.063	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1ccccc1Cl)CC1CC1)c1nc2ccccc2s1	796260718	OSALKVOSJRZVFZ-KRWDZBQOSA-N	409.942	5.038	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C	798054953	GUZMJHMKZCLVHP-UHFFFAOYSA-N	400.438	5.041	30	20	HKED	
N#Cc1c(Cl)nsc1N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	804713622	YZJILDQPASZCNQ-CQSZACIVSA-N	401.841	5.267	30	20	HKED	
CC(=NNc1nc(-c2cccnc2)no1)c1sc(-c2ccc(Cl)cc2)nc1C	814950365	COAILMAQOGOWMT-UHFFFAOYSA-N	410.890	5.053	30	20	HKED	
COc1ccc2nc(C)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2c1	915086420	JKDANGQJLMUMTO-DEOSSOPVSA-N	407.473	5.460	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2C)cc1	916846409	TZNGMNCSIZDENB-IBGZPJMESA-N	401.491	5.203	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(F)c(Cl)c3)n2)cc1	916974957	SMFWEKOPPZLPAX-OAHLLOKOSA-N	400.862	5.166	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3ccc(C)cc3C2=O)cs1	917564114	XADKIXJVCDFJQU-AQTBWJFISA-N	418.518	5.493	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	918711851	CPODBPWICZEAGB-MDZDMXLPSA-N	417.408	5.352	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920142518	KSOXPUNCQITEBP-NRFANRHFSA-N	415.518	5.416	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCCC4(F)F)CCC3)cc2)C1	1785807709	NBQYIGHAMGMWDB-QFIPXVFZSA-N	420.475	5.004	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCS3)cc2)CCC1	1792009694	SEYQHXDAAYUAFY-LJQANCHMSA-N	400.588	5.009	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(CC=C)CC=C)CC1	1824137313	GDKZSITWTAKMSI-DEOSSOPVSA-N	412.618	5.143	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2c(C)cccc2C)cc1	23603130	IUSPXABFYNBHNU-UHFFFAOYSA-O	420.602	5.539	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ccoc3)n2)cc1	303337134	XSQPXOCZPJNMBL-UHFFFAOYSA-N	415.474	5.300	30	20	HKED	
CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	303683634	JVNMBQDNCKXREH-UHFFFAOYSA-N	410.857	5.423	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Br)cc1	327059862	BIRBKDFDRJUSDV-UHFFFAOYSA-N	411.221	5.521	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1	410206769	LNYLQECJSCCWOA-UHFFFAOYSA-N	414.908	5.248	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2ccccc2n1CC(F)(F)F	426671631	MZKNMHWPJPBDGD-UYAOXDASSA-N	411.427	5.116	30	20	HKED	
CN(C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1cc(Cl)ccc1C#N	429867770	MVFWINDALXHXJH-UHFFFAOYSA-N	417.612	5.270	30	20	HKED	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)CCO2	437658141	SZXSCZKHYXMRGR-QHCPKHFHSA-N	413.477	5.125	30	20	HKED	
COc1ccc([C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccc(F)cc2)cc1	438837561	AUOXIKQGSRUMDW-RPWUZVMVSA-N	417.484	5.268	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccccc1	439480667	WFOCNEYBRXUHKL-NRFANRHFSA-N	410.477	5.585	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccccc1F)c1ccccc1	440239993	KKJWVESONRKYHN-XMMPIXPASA-N	401.485	5.583	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@H](CC)c1ccncc1)c1ccc(C(F)(F)F)cc1	441538966	XFCADGMFQXJZDP-WOJBJXKFSA-N	405.464	5.900	30	20	HKED	
C=CCC[C@H](NC(=O)c1sc([C@H](C)OC)nc1C)c1ccc(C(F)(F)F)cc1	441554866	WSKXBPVOJFAUTG-BBRMVZONSA-N	412.477	5.615	30	20	HKED	
C=CCC[C@H](NC(=O)C[C@H](NC(C)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1	441576295	QOJSNUOHTJOUBT-SFTDATJTSA-N	418.459	5.096	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCCC[C@H]2c2ccncc2)ccc1OC(F)(F)F	442183639	VEISTRWOBRHFRP-KRWDZBQOSA-N	404.392	5.001	30	20	HKED	
C[C@H](S[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	443133851	NQUHWTODQWBQRE-RYUDHWBXSA-N	412.864	6.052	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl	443471124	YDLYZAIEQSJKGM-UHFFFAOYSA-N	420.865	5.165	30	20	HKED	
CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1C	444038856	ZVDNAQVLEOMBBU-AGHHOFFYSA-N	424.976	5.332	30	20	HKED	
Cc1cc(C)n([C@@H](C)CC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)n1	460341976	DSOHBAXQLZQGES-SFHVURJKSA-N	406.917	5.210	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1	460376903	QRNBDTASIACWKS-LJQANCHMSA-N	412.921	5.256	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2SCC)cc1	460735131	LGQSQRDZURHOAP-UHFFFAOYSA-N	414.958	5.519	30	20	HKED	
C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccs1	461324825	PNGNCTKBAYDNES-GFCCVEGCSA-N	406.342	5.100	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3csc(-c4ccsc4)n3)c2)c1	462220358	DQNSXUAIHWZMPK-UHFFFAOYSA-N	403.532	5.934	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1-c1ccccc1	464467294	NAQRMSVGBHDROX-QGZVFWFLSA-N	412.415	5.110	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)c1	464947689	CFAAEPKKPUZJLQ-UIOOFZCWSA-N	421.500	5.049	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(=Cc2ccccc2F)CC1	465248538	AFINWIZEMVYGAL-KRWDZBQOSA-N	409.530	5.789	30	20	HKED	
CC[C@@H](C)[C@@H](NC(=O)N(CCOC)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	466067547	NILSIFGNTZRUHT-VGOFRKELSA-N	413.949	5.157	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c(Cl)c1	467444386	OMKJKTXYDNZLAQ-QGZVFWFLSA-N	422.685	5.482	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(OCCCC#N)c1	467827362	XKAMAVJJEOPSGJ-UHFFFAOYSA-N	402.498	5.105	30	20	HKED	
Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1Oc1ncccc1Br	468612634	ZSVBPYKEDQLOFR-UHFFFAOYSA-N	414.303	5.357	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)CC2	469413162	BNOUJAMXVVDNFW-MRXNPFEDSA-N	420.456	5.388	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccoc1Br)c1ccc(C(F)(F)F)cc1	469689381	GVRUCBMNXQTQMF-CQSZACIVSA-N	402.210	5.498	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1	471586970	TZLVVAOBNAPINB-UHFFFAOYSA-N	404.297	5.078	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3ccccc3)c3ccc4ccccc4c3)o2)cc1	471666602	CANHDUHCVYGKNT-AREMUKBSSA-N	416.484	5.641	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(F)c(Br)cc2Cl)c1	474962038	APEGEFIDKUBVIV-UHFFFAOYSA-N	411.658	5.176	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1F	475173529	STISRSQGVGPKPO-SFHVURJKSA-N	404.441	5.653	30	20	HKED	
COCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1	475382500	RQKORAIBQUZDKT-XLIONFOSSA-N	418.459	5.329	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1	480647964	WMUNBSZDCQDFNH-MRXNPFEDSA-N	412.396	5.060	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482427942	RRUYEBHLKLBYKI-BJZITVGISA-N	423.385	5.050	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	482642846	CUDJSKAQDMWBNZ-UHFFFAOYSA-N	408.232	5.035	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483207731	GRBQSPBGEQUTBT-QGZVFWFLSA-N	414.490	5.017	30	20	HKED	
CCCc1nc(C)c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)s1	486687848	WIZRGSPXDPTAQD-UHFFFAOYSA-N	407.543	5.050	30	20	HKED	
Cc1cc(C)c(-c2nnc(SCC(=O)Nc3ccccc3SCC#N)o2)c(C)c1	488803804	PQZCMWRJBSZKIO-UHFFFAOYSA-N	424.551	5.008	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	496592569	MZMLWKXJTBTVOQ-CQSZACIVSA-N	421.428	5.542	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1	497432029	DESHQUVNRCGBFR-UHFFFAOYSA-N	405.267	5.002	30	20	HKED	
CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	499319472	GYVGPOSHCXOELM-QHCPKHFHSA-N	419.912	5.868	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)c1C	499723841	GMJUMFOKMAEYKA-MRXNPFEDSA-N	418.566	5.698	30	20	HKED	
N#Cc1ccccc1OCC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	500352493	DFFHDPGZIRNEJN-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
C[C@H](SCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)c1nc2ccccc2[nH]1	505355408	IAYVWDFSBQGGEO-MEDUHNTESA-N	419.337	5.045	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)C(C)(C)c4cc(F)cc(C#N)c4)CC3)c[nH]c2c1	506368252	HLTMMKOAUGJYKC-UHFFFAOYSA-N	401.485	5.081	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](c2nccs2)C1	508996239	FMUQXBYSQQJUCR-CYBMUJFWSA-N	420.369	5.278	30	20	HKED	
CCN(C(=O)Cc1c(C)[nH]c2ccc(Br)cc12)[C@H](C)c1ccc(C#N)cc1	509584490	NMEMEIKPUIDLBB-OAHLLOKOSA-N	424.342	5.263	30	20	HKED	
Cc1c(C#N)cccc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	510380893	VEBSYUARSGTDDV-INIZCTEOSA-N	400.322	5.309	30	20	HKED	
N#CC1(F)CCN([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1	510921885	PQLAXJGRFAMGQV-GOSISDBHSA-N	406.288	5.001	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc(C#N)ccc3Cl)s2)cc1	512916753	LVHOXVUMUGVTRP-LBPRGKRZSA-N	411.914	5.143	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)cs1	513655856	UZTXEKSXKZREMO-QGZVFWFLSA-N	421.572	5.844	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5[nH]4)cc3)o2)cc1	513672915	VUNMKUCGKKZBRF-IBGZPJMESA-N	419.444	5.078	30	20	HKED	
COc1cccc2c1OCC(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)=C2	513764653	RFCYUYREWQEQNK-UHFFFAOYSA-N	412.445	5.082	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	517386178	HUZBQRIWACMTIG-KRWDZBQOSA-N	413.433	5.589	30	20	HKED	
C[C@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)c1ccc(C#N)cc1	520712401	ZWPPVZPOHANCSQ-HNNXBMFYSA-N	418.543	6.149	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc21	520813345	AYOJCVNDEBWROE-MRXNPFEDSA-N	422.579	5.347	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2)cc1	521092860	FVFZZYCPBBEISW-UHFFFAOYSA-N	412.474	5.316	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1	521811588	MMZRMAGIHKKFAG-UONOGXRCSA-N	422.381	6.613	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccco1	521811916	YQUDOWMRHYUZHS-QFIPXVFZSA-N	419.481	5.479	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)cc1	523135631	SBOSUKXPFDVNIW-UHFFFAOYSA-N	421.504	5.198	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3-c3cccs3)c2)cc1	524490456	ROMSFJGQWZHBFB-UHFFFAOYSA-N	410.498	6.118	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F	525558411	MHWRKIUOKLJMKJ-SFTDATJTSA-N	420.434	5.621	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](c1ccccc1)C(F)(F)F	535796629	GDCYRSFMWPGQGM-LSDHHAIUSA-N	408.317	5.422	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccccn4)s3)n2)cc1	536204805	QQLYWBCYFNAMJE-OAHLLOKOSA-N	402.504	5.127	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)cc1	541421854	OOSKPONFIWGNKO-UHFFFAOYSA-N	408.461	5.419	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1Cl	542931618	HFMQUOFVEGKIIY-VIFPVBQESA-N	402.800	5.489	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F	543892363	PBSPVBVWGSGOFJ-YLJYHZDGSA-N	413.468	5.446	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NCc2cnc3ccc(C#N)cn23)c2cccs2)cc1	551529933	LFPIRPPFSWSAMG-XDHUDOTRSA-N	400.551	5.660	30	20	HKED	
CC(C)C[C@@](C)(NCc1cnc2ccc(C#N)cn12)c1cccc(Br)c1	551821218	IMBLFZRQQMXZLO-OAQYLSRUSA-N	411.347	5.020	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Sc2ccccc2C#N)cc1	553085143	PTLXVQNLWZCSHB-UHFFFAOYSA-N	418.518	5.013	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(Br)c(CC)s2)cc1	555847507	OCRFYPOPSAUMBD-UHFFFAOYSA-N	407.333	5.032	30	20	HKED	
Cc1nc2cc(C(=O)N(CCC#N)c3ccc(F)cc3)ccc2n1Cc1ccsc1	558564213	STEXAVYKESYJJF-UHFFFAOYSA-N	418.497	5.154	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nccn1-c1ccccc1	561434044	GPIFUQBCYBEURY-GOSISDBHSA-N	401.539	5.094	30	20	HKED	
N#Cc1ccc(CNCc2nc(-c3cc4ccccc4o3)cs2)c(C(F)(F)F)c1	576990267	MSDXKFURIMRJTN-UHFFFAOYSA-N	413.424	5.737	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCc4cccc(O)c43)cc2Cl)c1	581621339	MEFPNHRTYFZWFI-IBGZPJMESA-N	418.880	5.165	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(F)c2)nc1-c1ccccc1	583054711	VSSBUKPCBSFSOK-FQEVSTJZSA-N	418.472	5.845	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)c1	589382407	CIYYSZJGIGESNN-UHFFFAOYSA-N	424.497	5.655	30	20	HKED	
COc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	603995320	BSYDCWNZMOGECN-UHFFFAOYSA-N	421.456	5.225	30	20	HKED	
Cc1ccccc1-n1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2c1CCC2	609427828	ROURSLUQWLYJFQ-QGZVFWFLSA-N	416.550	5.316	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1	609430754	VRROVMJEHZBPEV-ZDUSSCGKSA-N	413.955	6.110	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@@](C)(C#N)C3CCCCC3)cc12	609640971	TUEDWBQBWDUHKM-QHCPKHFHSA-N	406.555	5.047	30	20	HKED	
C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(Cc2ccc(Cl)cc2)no1	610167329	DAJMXHVXIGBWRX-ZDUSSCGKSA-N	410.930	5.313	30	20	HKED	
CCOC(=O)c1sc(NC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c(C#N)c1C	610167991	IIQRETIIFCKJFB-NSHDSACASA-N	424.444	5.256	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c1C	610233493	YNYQHVZHYZBHGI-AWEZNQCLSA-N	412.415	5.122	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c(Cl)c1	619729514	YPUHSGODOJPWFT-UHFFFAOYSA-N	407.150	5.198	30	20	HKED	
CC1CCN(c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)CC1	726498913	UHXNIBWSUMDHOI-UHFFFAOYSA-N	415.493	5.219	30	20	HKED	
C[C@@H](OC(=O)CSc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1	728676538	WAPNOPYCMYKFGN-QGZVFWFLSA-N	416.502	5.207	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(S[C@H](C)CC)cc2C(F)(F)F)CC1	730382507	FUYLRTGICMVJGM-CQSZACIVSA-N	415.525	5.368	30	20	HKED	
Cc1cc2oc(=O)cc(CNc3ccccc3SC[C@H](C)C#N)c2cc1C(C)C	731028734	OSHWIGRMSUFBJM-MRXNPFEDSA-N	406.551	6.089	30	20	HKED	
N#Cc1ccsc1C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1	731993902	KXTHHGMMYUREFH-GFCCVEGCSA-N	404.207	5.233	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1	733905901	VEMXKOWTQDROHY-UHFFFAOYSA-N	413.424	5.683	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1)c1ccncc1	734665340	MBVVFSBOMWTPCY-PKTZIBPZSA-N	405.929	5.635	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c1	737564766	BPKAOUSLGJXPGP-KXBFYZLASA-N	404.432	5.196	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1C	739668651	HWNBUSTYWQTNRF-UHFFFAOYSA-N	406.898	5.481	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(SCC(F)F)cc3)c(Cl)nc21	741847202	LRHUMRABJICQJS-VMPITWQZSA-N	421.900	5.919	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3cc(C#N)ccc3C2=O)cs1	742436995	IAKUZZPOAAUQPQ-BOPFTXTBSA-N	417.465	5.051	30	20	HKED	
N#CCN(Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S)C1CC1	747789263	LIVOUUWTAFNVMW-UHFFFAOYSA-N	409.540	5.155	30	20	HKED	
C[C@@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	750313964	YCIJOPQUXJSNJK-KBXCAEBGSA-N	402.466	5.233	30	20	HKED	
CCCN(C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@@H]1CCc2ccccc21	752298319	CGZSKCYNFALOFX-OAQYLSRUSA-N	406.486	5.058	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CCC(F)(F)F)c2)c1	753894813	WHTRSBRZFKXXEO-GOSISDBHSA-N	405.420	5.184	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1csc2ccccc12	754736066	JRVRVKASDOZGCG-CVEARBPZSA-N	409.580	5.442	30	20	HKED	
C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1csc2ccccc12	758302610	NUFUTRHUEIWGSU-MRXNPFEDSA-N	400.507	5.169	30	20	HKED	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	758534757	CTMQMZJMVZVQJX-QMHKHESXSA-N	417.459	5.771	30	20	HKED	
N#CCOc1ccc(COC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1	761625201	GAYXHXKLAAEXET-UHFFFAOYSA-N	400.406	5.007	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CC2	763945526	SURSJHPOEPDRSX-HKUYNNGSSA-N	408.910	5.378	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(F)F)ccc2Cl)ccc1OC	769012729	VLHHZZYISPHATI-AWEZNQCLSA-N	423.847	5.289	30	20	HKED	
CCOc1ccc(-c2nc(CON=Cc3ccccc3Br)co2)cc1	772877767	XPZXYAOGQSCPTQ-UHFFFAOYSA-N	401.260	5.054	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3ccc(C(C)C)cc32)ccc1OC	772987118	SMESHCSOOFAOTP-IRLDBZIGSA-N	408.542	5.503	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1C#N	776827803	ZHNSSFOZCMUXHV-UHFFFAOYSA-N	411.527	5.041	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(CNCc3ccc(C#N)cn3)cc2[N+](=O)[O-])cc1	780555707	JPOJOOPUQAEZBN-UHFFFAOYSA-N	416.481	5.241	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccc(Cl)nc2C(F)(F)F)n1	786773069	OUPHCMBIKSVRIP-UHFFFAOYSA-N	412.202	5.077	30	20	HKED	
C#CCn1ccc(CN(CC)[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1	789331699	FZAUECYYJBQOON-CQSZACIVSA-N	403.313	5.061	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=S)N[C@H](C)c1ccc(Cl)cc1Cl	795129970	CBOUUQPTZLMGPK-CYBMUJFWSA-N	413.370	5.093	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)Sc1nc2ccccc2s1	804560075	QXCYLLILGRQIHL-MRXNPFEDSA-N	414.600	5.159	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	806217222	HDYJLMVGRDIXGP-ZDUSSCGKSA-N	400.375	5.424	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H](O)c2ccccc2C)CC1	806451487	HKDFJRHCVANUKW-VWLOTQADSA-N	406.570	5.824	30	20	HKED	
Fc1cc(C(F)(F)F)c(F)cc1CNC(=S)Nc1ccc(OC(F)F)cc1	806596311	XZLIJXCDRAMNAX-UHFFFAOYSA-N	412.330	5.072	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)c3ccccc3n2)cc1NC(=O)OC(C)(C)C	809078898	XCQUKOQSUQOKEL-UHFFFAOYSA-N	402.454	5.014	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	810532022	QXUAZFJBSNKKFL-AWEZNQCLSA-N	409.700	5.317	30	20	HKED	
C=C(C)CN1C(=O)/C(=C/c2ccc(OCc3cccs3)c(OC)c2)SC1=S	814292188	PPPAIYWHGZCKSR-ZDLGFXPLSA-N	417.577	5.113	30	20	HKED	
Cc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c(C)n1C1CC1	916310384	ZHKJDDLIDQQUNS-UHFFFAOYSA-N	402.523	5.069	30	20	HKED	
CC(=O)N(c1nc(C=NNc2cc(C)ccc2C)cs1)c1ccc(F)cc1F	916345949	QSGVBIIJQXWUCV-UHFFFAOYSA-N	400.454	5.169	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C)cc1	916914661	QLYITRWVRDMPSG-HXUWFJFHSA-N	417.534	5.422	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2cccs2)n1	916927723	CBDVHPIWOWEIPY-SNVBAGLBSA-N	422.318	5.140	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CCCCCCC2)cc1Cl	918237760	KQIZJENJDBSJPT-OAQYLSRUSA-N	423.944	5.163	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N	919772151	RWYATZXPOZBITG-CQSZACIVSA-N	416.506	5.173	30	20	HKED	
Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)coc2c1	920805969	HOSGIYZKGXURSA-OAHLLOKOSA-N	408.429	5.562	30	20	HKED	
C[C@@H](Cc1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	921130777	CQEHLPNRVVCVKS-LAUBAEHRSA-N	416.452	5.144	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)Oc3ccccc3)CCC2)cc1	1791253324	BUMIQWYRPLBWCN-WOJBJXKFSA-N	420.553	5.190	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]1	1815332557	PNVZQUWIWFCALK-INIZCTEOSA-N	424.536	5.076	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1828828335	JBLOCPUQLGBTOQ-VXKWHMMOSA-N	418.597	5.047	30	20	HKED	
O=C(/C(=C(/S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1cc(F)ccc1F	22799956	NXFQUZDHSRBQHF-UHFFFAOYSA-O	421.851	5.096	30	20	HKED	
Cc1cccc(-n2c(SC[C@@H](C#N)CCC#N)nc3sc(C)c(C)c3c2=O)c1C	24097088	CLPVSXFFYJSNDS-QGZVFWFLSA-N	422.579	5.217	30	20	HKED	
Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c(C#N)c1C	28886384	CFSLLRVNIWXAJI-UHFFFAOYSA-N	409.492	5.548	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(C(C)C)c(C)c1	46667904	XKQHUTFPNHFCPY-UHFFFAOYSA-N	415.493	5.503	30	20	HKED	
C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48126208	RMHLZAINTXDNOG-INIZCTEOSA-N	416.456	5.175	30	20	HKED	
C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	54443935	XPICNLHKBXQQMJ-SFHVURJKSA-N	417.484	5.223	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3)nc2)cc1	54761855	ZQQCELFLZNORLZ-UHFFFAOYSA-N	414.534	5.098	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)sc2c1CCCCC2	60666756	KCESDVCAUDWPTO-UHFFFAOYSA-N	421.547	5.455	30	20	HKED	
CC(C)OCc1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	63638048	UJPSIVRZYGZGLT-INIZCTEOSA-N	411.571	5.253	30	20	HKED	
C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1	71964523	IPDMZUIAGPQAGR-CQSZACIVSA-N	404.401	5.031	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1	111020533	DCDONZFEFLPSSK-UHFFFAOYSA-N	423.516	5.649	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cccc(Cl)c2)cc1	117562197	RJGUVMPKSQQJIO-UHFFFAOYSA-N	404.897	5.556	30	20	HKED	
C=CCn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccccc1F	195571951	AOPKIEQMKPZCAX-UHFFFAOYSA-N	422.554	5.610	30	20	HKED	
N#CCCn1cc(CNCc2cc(Cl)ccc2OC(F)F)c(-c2ccccc2)n1	237812652	UZEOKJKXYGYSCA-UHFFFAOYSA-N	416.859	5.008	30	20	HKED	
COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	302967608	HMSFEBZLBZBHGI-SFHVURJKSA-N	416.477	5.211	30	20	HKED	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1occc1COc1cccc(C#N)c1	303107550	FIGXDUVBXBQLDG-FQEVSTJZSA-N	404.466	5.075	30	20	HKED	
CSc1ccc(C)c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1	303240471	JGDDBMVIYZRJQH-HSZRJFAPSA-N	402.519	5.291	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1	426139174	MXMUNNUADOAVPH-KRWDZBQOSA-N	400.269	5.110	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(OCc2ccccn2)c1	426150569	RULFCNAOEPFSMT-HNNXBMFYSA-N	406.873	5.068	30	20	HKED	
CCc1nn(C)cc1-c1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	426585679	GQOJYKBSMVOFMC-UHFFFAOYSA-N	405.845	5.017	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(NC(=O)N(CCC#N)CCC(C)C)cc2)cc1	429222512	RTGXCAQHASKXET-UHFFFAOYSA-N	422.529	5.131	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3ccc(CC)cc3)C2)cc1	432763184	ATYMJBCAUBWHMQ-QHCPKHFHSA-N	417.553	5.085	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1	432838234	BXKPNCQAASEQDT-UHFFFAOYSA-N	410.399	5.201	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)cc1	435104264	QEFQNZJVZQBHPK-ZDUSSCGKSA-N	418.324	5.060	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(C2CC2)nn1-c1ccccc1	436158221	SPYANMNZLQVRBE-FYYLOGMGSA-N	411.509	5.053	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	436329597	BQFFHORCORTWQQ-XJABCFGWSA-N	409.917	5.098	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1	437058726	XPYKJQSPCYZPNG-UHFFFAOYSA-N	407.514	5.193	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	437549228	OEUWAWSHUPJRGR-PMACEKPBSA-N	403.482	5.032	30	20	HKED	
CCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCSc2ccc(Br)cc21	437556590	JGBDOTFMXRWRFD-CQSZACIVSA-N	407.358	5.081	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(COC2CCCCC2)c1	438228466	GUEAWUQELMGKOF-LOSJGSFVSA-N	417.553	5.840	30	20	HKED	
COc1ccc([C@@H](NC(=O)NCC2CCC(C#N)CC2)c2ccccc2Cl)cc1	441001350	SQPSLHNICUZIII-CNXQINBVSA-N	411.933	5.067	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc3[nH]ccc3c2)cc1	443002269	OXWHTVJMOGDYEQ-UHFFFAOYSA-N	411.530	5.304	30	20	HKED	
C=CCn1c(S[C@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccccc1F	446054209	OABUJUNKRPVKDQ-CQSZACIVSA-N	407.474	5.174	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1	461547082	SBCRDSWPAUEDMZ-UHFFFAOYSA-N	413.481	5.037	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ncc(-c2ccc(C)cc2)o1	463260902	CZHLYAHJERWTTH-UHFFFAOYSA-N	402.523	5.311	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc12	463748808	LNJOQOOBALYYLE-AWEZNQCLSA-N	405.498	5.898	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1	464176800	PKZHATSRLSBZHE-UHFFFAOYSA-N	407.832	5.050	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c2cnn(C(C)C)c2n1	464421514	MMTUYEHHTJAVBH-HNNXBMFYSA-N	415.419	5.039	30	20	HKED	
N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1cc(C(F)(F)F)ccn1	464465385	JHSLZUKROCODJO-IBGZPJMESA-N	419.406	5.593	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	472436167	URRCQPBDWJKAIQ-GMAHTHKFSA-N	414.461	5.110	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1nc(C(F)(F)F)cs1	472748719	IQPZFCZXDDOYDV-LLVKDONJSA-N	414.478	5.220	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	475548465	RAKVXZYJPWDHIA-LJQANCHMSA-N	411.615	5.634	30	20	HKED	
CC(C)c1ccc(N(C(=O)c2cnn(C)c2C#N)c2nc3ccccc3s2)cc1	483080537	UMBSZNXJOJLWDX-UHFFFAOYSA-N	401.495	5.003	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	484338498	VXKPXQILCKLMJG-QGZVFWFLSA-N	418.468	5.417	30	20	HKED	
CC(=O)N(c1nc(COc2cc(Cl)cc(C#N)c2)cs1)c1ccc(C)cc1C	487454159	HTMPGXISQSRBLP-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccccc1	487501404	LVBYMWCIJOPFNS-ZCNNSNEGSA-N	402.416	5.240	30	20	HKED	
N#Cc1ccc(SCC(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)cc1	489032318	FXYJRZRBAORWAY-UHFFFAOYSA-N	403.891	5.264	30	20	HKED	
C=C[C@@H]1CCCCN1Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1	489477192	OEVFCBHWOOVKSX-OAHLLOKOSA-N	410.370	5.675	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCC[C@H]1Cc1ccccc1	493504693	SQBOQMZMUWJMNJ-GIVPXCGWSA-N	407.583	5.020	30	20	HKED	
C=CCc1cc(CNC(=O)c2occc2CSc2ccccc2)cc(OC)c1OC	497325393	CHQCHXDCLIPTEM-UHFFFAOYSA-N	423.534	5.248	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CSCc1ccc(C#N)cc1	500437480	AFHHHBWBYVXUAR-SFHVURJKSA-N	406.576	5.643	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C	505201197	NINPFDWMBJZDGD-UHFFFAOYSA-N	403.530	5.081	30	20	HKED	
COCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	506361993	GTXGEPIBQAXGFS-TZIWHRDSSA-N	423.900	5.488	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(CC#N)cc3)s2)cc1	506747647	IPIPDHBTZKTJHT-HNNXBMFYSA-N	406.511	5.076	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1	508147653	MMJSPFKFBDRZOA-UHFFFAOYSA-N	421.884	5.062	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1	509198904	ZYJRDUKXEXJCNU-CYBMUJFWSA-N	404.333	5.224	30	20	HKED	
CC1(C#N)CCN(C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CC1	509410594	KIDWABZAVGBNEG-LJQANCHMSA-N	403.309	5.266	30	20	HKED	
N#Cc1cccc(OC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1	511442865	GAALBOANPFDJBP-UHFFFAOYSA-N	412.518	5.278	30	20	HKED	
Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	512551061	AZEGAYWSDZGHNJ-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
Cc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)s1	514244078	BXBWLVQXMYURPH-KRWDZBQOSA-N	421.541	5.849	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ccccc1Br	515636761	HLVCMGLBBBEURJ-UHFFFAOYSA-N	409.283	5.080	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Br)cc1F	517626928	MWLHMFYRWRJTEK-LBPRGKRZSA-N	404.283	5.272	30	20	HKED	
CCc1nc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1	517874817	JEASQMVITNSZIH-UHFFFAOYSA-N	420.538	5.014	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)oc12	518169914	VGPUYQMXZDODAT-HZPDHXFCSA-N	423.538	5.966	30	20	HKED	
Cc1cccc(-c2cccc(CNCc3cn(CCC#N)nc3-c3ccccc3)c2)c1	520694251	DRWXQMFQHOXLIV-UHFFFAOYSA-N	406.533	5.729	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cc(Br)sc2Br)c1	522634360	WFQCQCJOEFVZRZ-UHFFFAOYSA-N	417.122	5.090	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1	523349896	RSHUHKPGPAEWOP-UHFFFAOYSA-N	404.445	5.136	30	20	HKED	
C=CCN(C(=O)c1ccncc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	524915678	JVPAHSBMJQTTTH-UHFFFAOYSA-N	415.493	5.844	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nnc1-c1ccc(Cl)cc1	525111054	FZHJOKUYTDJLJU-CYBMUJFWSA-N	420.991	5.631	30	20	HKED	
Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CO2	531670382	KDNOLWOKDZKEHP-HSZRJFAPSA-N	413.477	5.009	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2c(c1)OCO2	534457587	NCWNUKLVADCTTP-UHFFFAOYSA-N	406.825	5.009	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCc1cc(Br)ccc1F	535469813	WXRVNNYNMYCOJZ-UHFFFAOYSA-N	407.308	5.165	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2F)c1	538517744	RCGDVVZOMLBFDS-UHFFFAOYSA-N	411.436	5.084	30	20	HKED	
N#CCCCOc1cccc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1	538724173	WLSQHSODRDUHHP-INIZCTEOSA-N	409.477	5.224	30	20	HKED	
Cc1nc(COc2ccc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)no1	541089120	JJIRZVSZLJGLPJ-GOSISDBHSA-N	424.504	5.347	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	541158582	HVMRNMMYWNGBPQ-CYFREDJKSA-N	405.542	5.277	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cc1nnc(C(=O)Nc2ccc(C)cc2)s1	541872591	QYDASEZBPRAJTG-UHFFFAOYSA-N	418.975	5.002	30	20	HKED	
C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2cccc(C#N)c2)cc1	543855968	AYIRSSAQGLPFGM-INIZCTEOSA-N	424.460	5.035	30	20	HKED	
CN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	544037010	RCUFQUZKHSVHBF-GOSISDBHSA-N	414.349	5.272	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(Cc3ccc(C(F)(F)F)cn3)no2)c2ccccc21	545001970	CYADEKYBOMNXRA-RMKNXTFCSA-N	423.398	5.113	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1	549262784	PHTQOEGUOSKGMM-UHFFFAOYSA-N	418.541	5.139	30	20	HKED	
C[C@H]1[C@H](N2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	562132260	MXCVPWIKFDBDGC-HRAATJIYSA-N	424.932	5.094	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cn1)c1ccccc1	571835742	MPQOZJSUAPAKAO-CRAIPNDOSA-N	405.523	5.466	30	20	HKED	
CCCCn1ccnc1-c1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1	574026364	IHNAUOIZTKSCHR-UHFFFAOYSA-N	402.473	5.031	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cc(F)cc(C#N)c1	583743964	DTQOWBBYOHJCQB-UHFFFAOYSA-N	409.848	5.454	30	20	HKED	
Cc1cc(N[C@H]2CCOC3(CCCC3)C2)c(C#N)c(N[C@@H]2CCOC3(CCCC3)C2)n1	590587185	XACDQCMCVCOOQR-VQTJNVASSA-N	424.589	5.069	30	20	HKED	
CCc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609079031	XXAZOSLVCKRTQC-UHFFFAOYSA-N	413.521	5.672	30	20	HKED	
CCCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](C)c1ccccc1OC	609080041	AHPMKIHKLXRLLZ-CQSZACIVSA-N	403.429	5.173	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3c(-c4ccccc4)ncn3C3CC3)cc2)nc1	609502986	SZVFMKKKMKXGEI-UHFFFAOYSA-N	421.460	5.196	30	20	HKED	
N#Cc1ccc([C@@H](Sc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C(N)=O)cc1	609648429	GZTQMFGFYTWCEU-GOSISDBHSA-N	422.560	5.057	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc2c(cc1OCC)C[C@@H](C)O2	611744808	NIDLBNRVLLXWEE-CQSZACIVSA-N	420.962	5.021	30	20	HKED	
N#C[C@]1(F)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)C1	615661534	IECFITXPDPIEAP-ODTUPPAISA-N	417.509	5.251	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(Br)cc1C(F)(F)F	618750017	QQOZFRWVPLXVFW-HNNXBMFYSA-N	424.220	5.149	30	20	HKED	
N#Cc1ccc(CNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cc1Cl	619780299	IKYQKNNOMHYCKV-UHFFFAOYSA-N	404.684	5.444	30	20	HKED	
Cc1c(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cccc1OCC(F)(F)F	622350942	XGQKWIGCKUCIIE-UHFFFAOYSA-N	413.264	5.485	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccccc12	642281743	HWZFPTNLCPXULF-INIZCTEOSA-N	422.893	5.846	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1ccc(O)cc1	642726876	DZAMZTSKMYAELU-QFIPXVFZSA-N	411.509	5.117	30	20	HKED	
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1	670198773	MIGJUPSPSCRTEO-SFHVURJKSA-N	419.554	5.032	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	681492163	NLJIGRBCQLMEKY-LLVKDONJSA-N	410.280	5.293	30	20	HKED	
CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726073383	AHRHWNRUINLTTJ-ZEQRLZLVSA-N	411.505	5.550	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1SC(F)F	726079480	XTMABSAYHHHSEY-UHFFFAOYSA-N	407.873	5.746	30	20	HKED	
O=C(O)C(=O)/C(=C/c1ccc(-c2ccccc2Cl)s1)c1ccc2ccccc2n1	728156259	DNJGSALUWXHNGV-GHRIWEEISA-N	419.889	5.811	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12	729091037	XIQPVNSQFMSMQX-AWEZNQCLSA-N	407.445	5.297	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2c(Cl)cccc2Cl)nc(-c2cccnc2)n1	733080606	SEVGPSXXZAGAMY-UHFFFAOYSA-N	412.202	5.310	30	20	HKED	
N#CCOc1ccc(COC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)cc1	733489689	KDAUSYGKKOPZBU-QFIPXVFZSA-N	407.466	5.305	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1	733845481	RZDVQXUAYBAGAF-AWEZNQCLSA-N	411.811	5.361	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccc(C(F)(F)F)cc1	735320499	VGONIYJWMYVQQF-UHFFFAOYSA-N	414.836	5.133	30	20	HKED	
Cc1cccc(-c2nnc(COC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)o2)c1	741115827	ZFYKBFYYHBBJDN-UHFFFAOYSA-N	410.433	5.017	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)Nc3cccc(OCC#N)c3)cn2)cc1	741180416	SKFDMCJKQCLWCU-UHFFFAOYSA-N	401.466	5.326	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(Br)cc2Cl)S1	742346498	LUSPAKJOGIFYDB-NVNXTCNLSA-N	421.747	5.611	30	20	HKED	
Cc1cc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1-n1cncn1	742434859	OXWZFAJOUUIRBB-WMZJFQQLSA-N	404.470	5.043	30	20	HKED	
O=C(Nc1cccc(/C=C2\CCc3c(O)cccc3C2=O)c1)c1ccccc1Cl	742435651	WNENIZYBYRNZAW-DTQAZKPQSA-N	403.865	5.510	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1cccc(Cl)c1	743093285	QOQASEMKNSFGCS-SBUREZEXSA-N	419.912	5.584	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)ccc1OCC(F)(F)F	745990107	KBOIZDFVVUOPFM-KRXBUXKQSA-N	413.395	5.594	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cnn(-c4ccccc4)c3)c2)cc1	746348730	PTRKXSYYDRYKRY-GDNBJRDFSA-N	423.472	5.029	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)n1	747193084	DMDFRBHXHCJUFA-WIYYLYMNSA-N	410.539	6.115	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOCc2ccc(Cl)cc2)cc1	754406159	NRAARJVAOYMKBO-QHCPKHFHSA-N	419.912	5.334	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc(Cl)nc1	759040665	JQIFUYNSASRARQ-UXBLZVDNSA-N	405.860	5.301	30	20	HKED	
N#CCOc1cccc(CC(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)c1	760457574	YAWNBRPPQZHLSV-HHHXNRCGSA-N	406.485	5.190	30	20	HKED	
N#CCc1ccccc1CC(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1	761127062	TYNCDSOJJRCVRN-QFIPXVFZSA-N	410.395	5.042	30	20	HKED	
N#Cc1cccnc1-n1cc(NCc2sc(Sc3ccccc3)nc2Cl)cn1	763468727	SPLVFLRLQPRLBO-UHFFFAOYSA-N	424.942	5.012	30	20	HKED	
CCOc1c(Cl)cc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1Cl	767189905	KAFGRAGFOCYCOQ-UHFFFAOYSA-N	401.297	5.276	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1	768153858	MZWOMYKUYXOSOT-HXUWFJFHSA-N	420.944	5.185	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(Br)ccc2F)ccc1OC	772980479	PGJYSMDHUHGVDB-CJNGLKHVSA-N	421.310	5.129	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cc3cc(Br)ccc3o2)c1	776165631	TVOKOIOJIBIUJS-KBXCAEBGSA-N	413.315	5.727	30	20	HKED	
N#CC1(c2ccc(C(=O)OCc3ncc(-c4ccc(Br)cc4)o3)cc2)CC1	777172398	RCVOBJMMGJRYRH-UHFFFAOYSA-N	423.266	5.016	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2ccc(Oc3ccccc3)o2)cc1	779762504	ZCVUJAYVIHGGSR-UHFFFAOYSA-N	410.886	5.491	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1	780671393	WYTLICFKTVWVBX-CABCVRRESA-N	405.420	5.312	30	20	HKED	
CCN(C(=O)Cc1sc(SC(F)(F)F)nc1C)[C@H](C)c1ccc(C#N)cc1	798283939	PCGNEAPCFFLBLM-GFCCVEGCSA-N	413.490	5.087	30	20	HKED	
Cc1ccc(C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)cc1C#N	799341144	PYMMXWCCBVRJMG-UHFFFAOYSA-N	419.525	5.009	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3ccc(Br)cc3o2)cc1	812248192	GMLCXQUQHFZLKI-OXFWXOROSA-N	403.663	5.618	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(COCc2ccc(OC)cc2)c1)c1ccc(F)cc1	812927760	BPBJPWJCXPVQLH-DEOSSOPVSA-N	418.468	5.047	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)on1	813212576	DTBQSIUIAXQXPB-MRXNPFEDSA-N	417.412	5.179	30	20	HKED	
C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1O	815556078	NPFRMGCLJXWCDR-UKKRHICBSA-N	423.319	5.971	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915087514	VMRNSVMZELXDRS-LJQANCHMSA-N	415.543	6.088	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Cl)c(Cl)c1	916309169	ARRCSEFGTYJXFJ-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
CC(C)(C)[C@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2C1	916908137	YRGFLUGRHSPWDB-LSDHHAIUSA-N	414.958	5.514	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1c[nH]c2cc(Cl)ccc12)CCCCC3	918709368	GIMPKMXLXOJJJO-UHFFFAOYSA-N	410.930	5.052	30	20	HKED	
Cc1ccc(C)c(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920140442	HDSIBLGHMJRYSB-FQEVSTJZSA-N	413.502	5.138	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3nc(C(C)C)cs3)cc2)CCC1	1787005639	RLSPIUHOCULZHE-UHFFFAOYSA-N	423.582	5.208	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)[nH]n1	1821918054	FXARQLNLGHUXAQ-QTGUNEKASA-N	422.573	5.054	30	20	HKED	
C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1	1831859748	JHQPHLCHFBPQNS-LJQANCHMSA-N	423.384	5.111	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1ccccc1CC	10174262	QIXKZTDSTHUHHD-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
Cc1c(Cl)cccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1ccncc1	10318082	DTSZXKDUYBKQFF-UHFFFAOYSA-N	417.925	5.455	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2ccccc2[nH]1	46706362	ICDOQYQIZKBVMJ-FQEVSTJZSA-N	407.429	5.378	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1	59799195	IBDXTSYIEFZYHI-UHFFFAOYSA-N	411.288	5.891	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	65749470	LPHOGUZCRXXBFN-UHFFFAOYSA-N	400.503	5.668	30	20	HKED	
Cc1ccc(NC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1	108351972	UQPMRNDDKITMPY-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1	116160681	XFPFOSFMCSNISO-XZOQPEGZSA-N	414.505	5.529	30	20	HKED	
C=CCc1cc(CN[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc(OC)c1O	237266091	OWNSUCHKJGAFLX-DEOSSOPVSA-N	407.485	5.156	30	20	HKED	
COC1CCN(c2ccc(Nc3c(F)c(F)nc(F)c3F)cc2C(F)(F)F)CC1	301600509	INPORQCIUMQNMO-UHFFFAOYSA-N	423.332	5.016	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N	301652760	QTGGZBAXQTVPOE-CQSZACIVSA-N	411.859	5.128	30	20	HKED	
CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)nc2ccccc21	303176676	WODZJGRSAWHMOK-NRFANRHFSA-N	401.514	5.226	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1	303183012	YTHFIQHPUBVDCC-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)n[nH]2)c(C)c1	426521373	HBURCZFVKUTCSZ-LJQANCHMSA-N	423.501	5.179	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1	428705754	CBUVIGAXDWQXDM-SFHVURJKSA-N	418.566	5.455	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)c1-c1ccccc1	429036285	RWBRFQJHJINEGR-RYQLBKOJSA-N	417.538	5.076	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(c2ccccc2)C2CCCC2)nnc1-c1ccco1	429267140	ZTFJBZPTZNJYQU-UHFFFAOYSA-N	422.554	5.182	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3sc4cc(Cl)ccc4c3Cl)nc12	429582620	DMVOEWYJLGYRSZ-NSHDSACASA-N	401.278	5.278	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCC(F)(F)C2)cc1Cl	431113202	SGNQHXDQARSUKZ-KDOFPFPSSA-N	403.860	5.552	30	20	HKED	
COc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OCC(F)(F)F	432708256	FVAATIILLGAKQZ-KRWDZBQOSA-N	421.419	5.193	30	20	HKED	
Cc1cccc2oc(CCNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)nc12	438037396	RWJFXUPTINZKPS-UHFFFAOYSA-N	412.449	5.164	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1	438493978	DHBBPRRQQDTOMU-UHFFFAOYSA-N	412.465	5.099	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439367177	CWMPVRIYSNGSHF-XXBNENTESA-N	418.541	5.176	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1	439548354	IVOUKFBGBXGJAT-SFHVURJKSA-N	403.457	5.365	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](CCC#N)c1ccccc1	439667925	MCYPISZASYIESA-IBGZPJMESA-N	421.497	5.223	30	20	HKED	
N#CC1CCC(CNC(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)CC1	441008637	KVCBELUZZXRBQX-KJBLDROHSA-N	413.871	5.439	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1	443937990	IQPUQGVJKNVSOV-JKSUJKDBSA-N	415.946	5.419	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c2ccccc21	444176463	OYPPPWGOXYHMFY-SFHVURJKSA-N	411.292	5.247	30	20	HKED	
Cc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c(OCC2CC2)c1	447063408	LWLYPIVDRAFKDS-QGZVFWFLSA-N	409.555	5.500	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	447552477	NKCOPHOPGKORLQ-QGZVFWFLSA-N	400.482	5.153	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1sccc1C#N	460336825	UJASCWSXASKHMI-UHFFFAOYSA-N	418.497	5.917	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3nc(C)c(C#N)cc3Cl)CC2)n1	461938861	DTLKBVZKPKHPLA-UHFFFAOYSA-N	424.957	5.431	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N(C)c1ccc(NC(=O)[C@H](C)CC(=C)C)cc1Br	466870109	IZBXSQYRZZXIFI-CVEARBPZSA-N	421.379	5.555	30	20	HKED	
O=C(c1cc(Cl)cc(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F	468548967	SRQSLULRARVGCZ-UHFFFAOYSA-N	401.656	5.316	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469745281	PLRODBUPJUNPCB-LRDDRELGSA-N	409.370	5.226	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c1	471439938	KCEKROHJKDGPJU-UHFFFAOYSA-N	402.523	5.093	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(C)nc1-c1ccc(Cl)s1	475507182	KTUCVNRPTGGAIK-LBPRGKRZSA-N	416.959	5.306	30	20	HKED	
C=C(C)[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)c(F)c1	478917727	PIQITCJLMVTYPO-OAQYLSRUSA-N	402.441	5.204	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	480268886	UYSJLRJEUSDEHZ-GOSISDBHSA-N	423.904	5.021	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3COc4ccc(Cl)cc43)c2)cc1	486029844	PQPCXMFWJNQYFH-JOCHJYFZSA-N	418.880	5.100	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccccc3Nc3c(F)cccc3F)o2)cc1	486144741	HCRUOEKPIKREGP-UHFFFAOYSA-N	403.392	5.242	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	486260856	RIAAFCRWJOGAMA-UHFFFAOYSA-N	410.926	5.844	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](CCCC#N)c1ccccc1	487293527	BRPXTVVYEDELBS-KXBFYZLASA-N	417.372	5.481	30	20	HKED	
COc1cc(SC)ccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	487486234	OUMHAXJWSWIFJA-UHFFFAOYSA-N	404.491	5.120	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2csc3ccccc23)cc1C	490259214	NCOSMVRIYGRBSR-UHFFFAOYSA-N	400.507	5.548	30	20	HKED	
C=CCc1cc(CN[C@@H](COc2ccccc2F)c2ccccc2)cc(OC)c1O	500110066	NSVVPZSPQIMITC-QFIPXVFZSA-N	407.485	5.178	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)cc1C#N	501336252	CTSVZCPNPZNGDN-GOSISDBHSA-N	411.506	5.001	30	20	HKED	
C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	501853836	IVFZOEVFJQOCJA-GOSISDBHSA-N	406.489	5.146	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	507909208	PYGNGYMDLKOOQO-AOMKIAJQSA-N	411.461	5.197	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(C4CCCCC4)c3C)n2)cc1	512720589	MGFVIDJNMKKXDI-LJQANCHMSA-N	404.539	5.619	30	20	HKED	
CCCc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513932715	ABIKUIAQWWLHHP-UHFFFAOYSA-N	401.485	5.884	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)c1	517079730	JLBDPEYFDDIZJO-MOPGFXCFSA-N	415.320	5.039	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	517800743	FZNXCCJVVUDXLW-HXUWFJFHSA-N	406.507	5.488	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCn2cnc3ccccc32)cc1Cl	517824591	UURDXKHBCNPWNH-FQEVSTJZSA-N	414.896	5.374	30	20	HKED	
C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	518743005	IETWUIUTNKONAX-OLZOCXBDSA-N	409.338	5.794	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	520924166	LWPXSXOJMKLQHM-INIZCTEOSA-N	422.506	5.514	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCCc2ccccc2)CC1	522654059	HDLBEBBYLMDAJL-IBGZPJMESA-N	423.582	5.336	30	20	HKED	
CN(C)CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl	523976644	RFLWUIOUIJEOOD-UHFFFAOYSA-N	419.912	5.071	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)cc1	525143750	AXHWPPSWDKABKX-AWEZNQCLSA-N	408.404	5.380	30	20	HKED	
CCc1nnc(-c2cccc(NCc3cccc(OCc4cccc(C#N)c4)c3)c2)o1	532743529	XTXLPOBIHFMVJO-UHFFFAOYSA-N	410.477	5.362	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C[C@@H](C)C#N)C3CC3)c3cnn(C(C)C)c3n2)c(C)s1	532819887	ROTOYMQQMRIEIV-AWEZNQCLSA-N	421.570	5.122	30	20	HKED	
Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	534820908	USSCNGFPHXAFNU-UHFFFAOYSA-N	415.375	5.353	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1COc2ccccc21	535102352	WXJYDNXSIYEXRG-UZLBHIALSA-N	400.503	5.004	30	20	HKED	
COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	535611841	HWQBXMVBXSZDSC-QZTJIDSGSA-N	411.571	5.432	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1	537157406	DVWLQFADTBZMMB-OAQYLSRUSA-N	409.530	5.764	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(C)o2)nc2scc(-c3cccs3)c2c1=O	537794722	DHYXMSZFURTUJH-LBPRGKRZSA-N	415.565	5.522	30	20	HKED	
CCCC[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1	539497792	XXZFBNAIEKGDNV-CYFREDJKSA-N	404.558	5.007	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(F)cc3-c3nc4ccccc4s3)cc2)CC1	540722371	YZNGDCNTMQPMIY-UHFFFAOYSA-N	413.477	5.910	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)CC1	541042190	PDIJMMCCQKNSPF-UHFFFAOYSA-N	404.445	5.324	30	20	HKED	
C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2C)c1ccc(-c2cccc(C#N)c2)cc1	541094300	KHQWHTZLPQKAOF-KRWDZBQOSA-N	424.504	5.017	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N[C@@H](c1cccc(F)c1F)C(F)(F)F	542399837	AUYVSHNORHBINK-AWEZNQCLSA-N	412.280	5.495	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	543886487	RCXXZBIBWNTNQI-VBKZILBWSA-N	423.879	5.151	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccccc1C#N	544468273	DJSHZEMWXKCURR-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
C[C@@]1(CCCO)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	544534766	MRRFNDMDVYNEEV-REWPJTCUSA-N	411.933	5.154	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(Cl)c(OCCC)c(OC)c1	553437306	UBNQLCAXPFKCHW-UHFFFAOYSA-N	419.953	5.133	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	557013566	WABIHHBVKKBTSR-UHFFFAOYSA-N	407.533	5.628	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(-c4ccccc4F)s3)cc2)nc1	558825841	YXFPBRFLXFRGTI-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3nccn3-c3ccccc3)o2)cc1	572169653	DGGOKOOCXOYUGM-MRXNPFEDSA-N	404.495	5.340	30	20	HKED	
N#Cc1ccc(CNc2cc(Cl)ccc2OC[C@H]2CCOC2)c(C(F)(F)F)c1	578475153	WSDFUJFLWYNXBN-AWEZNQCLSA-N	410.823	5.258	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	582977647	PPTMOYDFSHXPKJ-YJYMSZOUSA-N	403.309	5.317	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@@H](Sc1cccc(F)c1C#N)c1ccccc1	583484036	CIYWZRTUBBKUME-QFIPXVFZSA-N	406.482	5.487	30	20	HKED	
Fc1ccccc1-c1nc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cs1	590599514	ZTLRQVBPWUXTNL-QWRGUYRKSA-N	412.374	5.512	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(F)c1	598583753	QMVXAESMYIGVKD-AWEZNQCLSA-N	421.497	5.269	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	604487882	ZTQCFMMBUMRYBG-CQSZACIVSA-N	407.392	5.072	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2c(s1)CCCC2	607289226	FBTOIVTYNKHRML-CABCVRRESA-N	422.472	5.243	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc2ccccc2c1	609061695	GYTTXNCODIRJLK-UHFFFAOYSA-N	406.485	5.780	30	20	HKED	
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1cc2ccccc2n1CC#N	609215717	LBYPHJCCMKWEBS-KRWDZBQOSA-N	401.510	5.496	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccccc2)cc1C	609444507	BIWVQKZZCQRPBM-UHFFFAOYSA-N	416.477	5.465	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	609643855	XRSJBLBYWLDOHG-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1	609735753	RYLLOYCGDIOCGZ-QYBDOPJKSA-N	415.537	5.365	30	20	HKED	
N#CCn1c(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc2ccccc21	611572430	ZQDUBDDSHIZBPA-UHFFFAOYSA-N	410.304	5.401	30	20	HKED	
CCCCN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H](C)c1ccc(C)o1	611600473	GYKJGBGIQPFAHH-INIZCTEOSA-N	409.465	5.180	30	20	HKED	
N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccc2ccccc2n1	613292571	OSRXTNNWRRQKBL-GOSISDBHSA-N	421.485	5.034	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)NCc3ccc(C#N)c(Cl)c3)cc2)cs1	619764650	CMNYYEBFUGBKBQ-UHFFFAOYSA-N	413.955	5.199	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2COCc2ccccc2)cc1OC	642810092	VSFIJUBVELPFGU-UHFFFAOYSA-N	403.478	5.229	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2cc(Br)ccc2o1	672239567	CQFZHWGHZLLXCJ-UHFFFAOYSA-N	416.319	5.191	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc(C(F)(F)F)c1	683089511	MWTMACVBZXKGGQ-PHIMTYICSA-N	408.264	5.218	30	20	HKED	
CCOc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1	683196900	XPLQMHBTNIGDHC-UHFFFAOYSA-N	413.264	5.653	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCc3sccc3[C@H]2c2cccs2)cc1Cl	726450483	UWVOYQSHSYLVBO-SFHVURJKSA-N	415.996	5.679	30	20	HKED	
C[C@H](NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccs1	726469149	NRFJYKDCUTWBJU-INIZCTEOSA-N	407.564	5.441	30	20	HKED	
CCCc1ccc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1	727844899	SSQFEKVXYHUHJZ-HSZRJFAPSA-N	419.550	5.192	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1	727954253	XTBGGRJJXCGULL-HXUWFJFHSA-N	407.901	5.054	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)NC34CC5CC(CC(C5)C3)C4)cc2)c1	727980415	KGKOJBZYBZWTFT-UHFFFAOYSA-N	417.578	5.392	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3coc(-c4cccs4)n3)n2)cc1	730070939	CRDRSVAWFPFPHQ-INIZCTEOSA-N	405.504	5.254	30	20	HKED	
C#CCOc1cccc(NC(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)c1	731111253	KXTXQLQUQOYFKN-UHFFFAOYSA-N	417.509	5.230	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(C(F)(F)F)nc1O	731564672	OPUAMWBXGUPDAB-YRNVUSSQSA-N	417.358	5.420	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)ccc21	731564763	SOFTUVLCHWJMQY-DHZHZOJOSA-N	410.395	5.830	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	733622592	VQQKZZNYFAGHQI-NRFANRHFSA-N	400.438	5.164	30	20	HKED	
N#Cc1ccc(CSCC(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc1	733948790	YLRCCGNSYGQGBP-KRWDZBQOSA-N	413.848	5.162	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCCC[C@@H]2[C@H](C)CC)c1=S	738058818	VOXSFHKGLDTHCB-IEBWSBKVSA-N	400.592	5.134	30	20	HKED	
CSc1cccc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2ccc(F)c(F)c2)c1	742384465	DHLHJXCNLIUXSE-UPCLLVRISA-N	424.516	5.857	30	20	HKED	
Oc1nncc(NN=C(CCCc2ccccc2)Cc2ccc(Cl)cc2)c1Cl	743434151	SXRIMLWVLVJBJU-UHFFFAOYSA-N	415.324	5.523	30	20	HKED	
CC(=NNc1oc(CC(C)C)nc1C#N)c1cc2cc(Br)ccc2o1	745612961	HZILBCAXQAKXMF-UHFFFAOYSA-N	401.264	5.090	30	20	HKED	
COc1ccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)cc1	746345313	DALUCNMHSRGORI-UITAMQMPSA-N	416.449	5.305	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CC[C@@H](c3ccccc3)[C@@H](CC)C2)c1=S	746384543	ZAFMOPTYXUOEQN-SIKLNZKXSA-N	419.598	5.135	30	20	HKED	
C[C@H](C#N)CN(C)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C2CCCC2)c1=S	746705918	FQFWXCZSSGXDKH-QGZVFWFLSA-N	411.619	5.543	30	20	HKED	
N#Cc1cccc(C(=O)COC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1	748262122	PUJIJYMWKPUZCO-UHFFFAOYSA-N	417.273	5.028	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CSc3cccc4cccc(Cl)c34)nc12	750723349	HZNABFPOLONXFR-AWEZNQCLSA-N	406.898	5.042	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1C#N	752286144	KRGIBCSGWSPYSG-UHFFFAOYSA-N	419.441	5.043	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1	752674109	FEQYBXVAEALIRB-RTWAWAEBSA-N	420.513	5.337	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)s1	752806406	PPHDOZOILIUEAT-GXTWGEPZSA-N	420.332	5.170	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)n1	754544592	CTXULLIPDLRKBZ-CYBMUJFWSA-N	409.338	5.803	30	20	HKED	
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)CCC2=O)cc1C	760453791	TWUIXXCQPACJNR-RTBURBONSA-N	421.566	5.079	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)CCN1c2ccccc2Sc2ccccc21	760797094	HJUDRNSUWXFTOZ-UHFFFAOYSA-N	419.481	5.360	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2[nH]ccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	765915803	MSVIPUVJHSNVKD-PRSOIBJXSA-N	411.408	5.686	30	20	HKED	
Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1[C@H]1CCO[C@H](C2CC2)C1	771901482	BDGCRURVVLKSNY-RXVVDRJESA-N	420.538	5.056	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	775228033	RUCYBKSAZHIENL-LJQANCHMSA-N	417.534	5.614	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2ccccc2Oc2ccccc2C#N)cs1	778181955	VQTVZGFZXBSXRO-OAHLLOKOSA-N	408.479	5.262	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N	780679209	AHUNXDRSKCSLID-DZGCQCFKSA-N	424.501	5.431	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	789457126	SQYGAMRCGGTMCD-RBUKOAKNSA-N	415.578	5.496	30	20	HKED	
COc1cccc(C(=O)CCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	794223197	WEIASSAHJXYBDF-XMMPIXPASA-N	412.489	5.342	30	20	HKED	
C#Cc1ccccc1CC(=O)N(CC)[C@H](c1cccnc1)c1csc2ccccc12	812992860	CNYAJPFTSTYPAC-AREMUKBSSA-N	410.542	5.458	30	20	HKED	
Cc1cccc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c(Cl)nc12	813394465	IPJHOEUNFIUUFB-UHFFFAOYSA-N	418.909	5.368	30	20	HKED	
CC1CCN(c2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1	814298034	OAYKDJCRZOPASS-DEOSSOPVSA-N	404.558	5.157	30	20	HKED	
C=CCCC[C@@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	883978605	RHAGHIYVDFCSIS-VSZNYVQBSA-N	421.425	6.152	30	20	HKED	
CC(C)Cc1ccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2cccs2)cc1	915710507	JBKILXQXHNXTRJ-HSZRJFAPSA-N	419.550	5.760	30	20	HKED	
N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc2ccccc2[nH]1	916844721	YTCLOUPTJXKWJT-FQEVSTJZSA-N	422.463	5.659	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccc2ccccc2n1	916849564	XXFGYLGMPXAJLF-LJQANCHMSA-N	419.322	5.686	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)sc2C)cc1	916885040	LEPXFBOEZLWEBM-LJQANCHMSA-N	424.909	5.347	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)c1	916897813	OSPJSOAABHDCIC-KQQSKNTNSA-N	406.791	5.028	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(SC(F)F)cc1	916944531	HAUGZNUHQIQEOS-CQSZACIVSA-N	415.248	5.269	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccccc2)[C@@H](C)CC)c1=S	917455329	SXJHAEXYTXEBAX-IBGZPJMESA-N	422.598	5.534	30	20	HKED	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)OCC#Cc1ccccc1	917950868	JNTIIOZHTPEAFU-UHFFFAOYSA-N	400.261	5.176	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(C)ccc3C(C)C)n2)cc1	920138806	JYWVLQADTUGMOE-HXUWFJFHSA-N	420.534	5.506	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1)C(F)(F)F	1791980865	LMTTYVNTMDSZDQ-UHFFFAOYSA-N	420.475	5.209	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826527435	RXYLQXODUZDHTE-DACFSCGWSA-N	420.597	5.088	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1	1827980526	QPOAKCHKWOMUDC-SFHVURJKSA-N	420.981	5.159	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1	4285792	LSPFQBLFRAWITQ-KRWDZBQOSA-N	414.534	5.404	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1	4285808	VSAQSYUTFZQRFE-SFHVURJKSA-N	420.582	5.682	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(C)c1	10174357	GMTQCEBFJCRCHH-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2Cl)c1	10826351	XFOTWFURADJMOY-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1	41516728	GPSOQMWFFFHTLN-HNNXBMFYSA-N	408.870	5.041	30	20	HKED	
C=CCOc1cccc(NC(=O)N(CC)Cc2cc(Br)ccc2F)c1	58432627	XQNRSKRAJHSWCA-UHFFFAOYSA-N	407.283	5.207	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1	58451787	QQOPWTSFWQFGFZ-UHFFFAOYSA-N	401.514	5.134	30	20	HKED	
CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#C[Si](C)(C)C)cc2)[nH]1	201691221	XOQOVIBGNCRUGH-FQEVSTJZSA-N	409.606	5.378	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2cccc(F)c2)n1	301752013	WGNQGNLRYUKAAR-UHFFFAOYSA-N	406.935	5.421	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)C(C)C)cc1	302631693	CGACTRFVYQQTNU-UPCLLVRISA-N	407.558	5.235	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	303507385	NINNZZWVLXQDRW-SFHVURJKSA-N	417.534	5.427	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1	388622427	ZVPUNPSFMGUCNL-UHFFFAOYSA-N	422.120	5.265	30	20	HKED	
CC[C@]1(CO)CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	429170188	JZWSTBZUSVKYKX-REWPJTCUSA-N	411.933	5.012	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)o1	430595635	YDIFCFCLWDEETD-HNNXBMFYSA-N	410.495	5.111	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1	432809808	YOAQJRRKFPNKHD-UHFFFAOYSA-N	403.404	5.218	30	20	HKED	
CCCOc1ccc(Br)cc1C[S@@](=O)CCCCC(C)(C)C#N	436087030	JOUHAYIFQAQZPG-QHCPKHFHSA-N	400.382	5.207	30	20	HKED	
C[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	437743947	IRSIGKPBXMQMJD-LJQANCHMSA-N	411.505	5.310	30	20	HKED	
CN(C)CCc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	438565131	BJTDZTRFMIKYEU-UHFFFAOYSA-N	419.912	5.360	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C	439850966	KMNPBOSSOSLUQK-IYBDPMFKSA-N	409.917	5.176	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1cccc(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	440810603	POXYKJJSEDWIOQ-FQEVSTJZSA-N	419.447	5.171	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	442201996	QSUHGDDPJHSNSN-IBGZPJMESA-N	405.420	5.493	30	20	HKED	
C=CCn1c(SCc2nc(C3CCCC3)no2)nnc1-c1ccc(Cl)cc1	443454172	MGHBSJFZSIVGDD-UHFFFAOYSA-N	401.923	5.117	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(Cl)c1	445026253	YFURIRXUXUAGBZ-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2c(F)cc(C#N)cc2F)cc1	446032914	GPJZBEIRINJWRV-OAHLLOKOSA-N	406.432	5.345	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc2c(cc1Br)CCC2	446430695	XLUMYGDHPHFEMT-NQIIRXRSSA-N	424.342	5.241	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	446487477	BFXRWYRRQMBBJK-CMPLNLGQSA-N	422.316	5.168	30	20	HKED	
Cc1cc(F)ccc1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	446525799	BHQGQYVKWJWCDI-UHFFFAOYSA-N	404.510	5.271	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1Cl	461327455	YLZWCUFLONCXMM-FCHUYYIVSA-N	422.912	5.178	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	463820981	PRAYDSFKVXERGD-SBUREZEXSA-N	403.913	5.348	30	20	HKED	
C[C@@H](C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1cccc(C#N)c1	464270178	ZDHRKVOVCRXLPN-QGZVFWFLSA-N	423.438	5.305	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Sc1ccccc1	464293979	HYDJIYTUHRTKPL-SFHVURJKSA-N	418.587	5.761	30	20	HKED	
CC(C)(C#N)CCCN1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469449558	DEDIHNFVLYGNRK-MRXNPFEDSA-N	408.386	5.427	30	20	HKED	
COCCC1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCCC1	473791301	YFJADXXXZDXCIA-UHFFFAOYSA-N	421.541	5.164	30	20	HKED	
CCCOc1cc(OC)ccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	474964035	FTYWKROYRIKJRY-HNNXBMFYSA-N	400.887	5.237	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1	475563124	QBDUGOZXUZDSRA-KRWDZBQOSA-N	404.514	5.395	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	475616296	FVDZNHVGOFRRLL-ZACQAIPSSA-N	415.990	6.390	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1	476057961	AUIXOUTXSISJAU-NRFANRHFSA-N	418.928	5.509	30	20	HKED	
CC1(C#N)CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)CC1	476677029	WXJGGEALBYGCLT-UHFFFAOYSA-N	423.727	6.205	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cn(-c2ccccc2)nc1-c1ccncc1	481927984	ZUIFTEQRRUGPQQ-SANMLTNESA-N	419.532	5.363	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc3ccccc23)n1)c1cnc2ccccc2n1	483216661	LCLLEENRLYBNQB-SFHVURJKSA-N	406.470	5.397	30	20	HKED	
N#Cc1cc(Cl)ccc1CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1	484546790	OVHDQUUSJOIODM-JOCHJYFZSA-N	404.876	5.232	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC1CC(OC(C)(C)C)C1	485781140	DTNUYJMKNALDHG-UHFFFAOYSA-N	406.526	5.368	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1c[nH]c2ccccc12	495096868	DCENKEDYRKTRAC-QGZVFWFLSA-N	422.488	5.424	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccccc1OC(F)F	500430985	WGEGPBNMBFVWBM-LBPRGKRZSA-N	400.878	5.462	30	20	HKED	
Cc1cc(C)cc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	500910972	LLCNWRGICMBMQI-FQEVSTJZSA-N	400.526	5.188	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1	503174491	JPXPKTRLDTVTSL-UHFFFAOYSA-N	401.466	5.689	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccnc1	503711747	AUEKUSZPZYRGDG-CYBMUJFWSA-N	424.917	5.083	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl	503769130	ZWOSVKVFTJGUKG-LJQANCHMSA-N	400.309	5.250	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc2)cs1	505803229	RPIYFVACTVWLKR-LJQANCHMSA-N	413.955	5.392	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	505834570	UGNZXDUPCZJVCA-QFIPXVFZSA-N	410.477	5.038	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510185805	NRQNUUNCGOJSBD-KRWDZBQOSA-N	419.575	5.377	30	20	HKED	
Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	512339043	POOYTGLKARNYKB-XMMPIXPASA-N	407.533	5.078	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1C1CCCCC1	512973538	AHFIUEVQGLKGIO-FQEVSTJZSA-N	404.539	5.619	30	20	HKED	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	515190687	NBVUMCXPPBPVOS-DEOSSOPVSA-N	412.493	5.731	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-]	515546832	FFYAPTJHCUCEPV-ZDUSSCGKSA-N	413.886	5.645	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	515613828	WJJNITBGKZSOGC-UHFFFAOYSA-N	416.321	5.659	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N1CCc2ccccc2C1	517530577	XPROIQGHPDTYOM-RXVVDRJESA-N	422.598	5.039	30	20	HKED	
COCCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	521151934	QLBWRCRPYGQABB-JKSUJKDBSA-N	419.447	5.057	30	20	HKED	
N#Cc1ccc(CCC(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)cc1	525349516	JXXHTIWEFRJWSC-UHFFFAOYSA-N	404.579	5.550	30	20	HKED	
CC(=O)c1csc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1	525447091	OUCSBWSBDZCIJB-LEJIWSMMSA-N	410.564	5.365	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCSc4ccccc43)c2)c1	525658931	XPTONPYYXBBOLG-JOCHJYFZSA-N	400.503	5.355	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C	531076088	VZKQXUBHSWPEKM-HNAYVOBHSA-N	416.978	5.159	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1	531648136	FNCHCRDOZVAQSQ-JOCHJYFZSA-N	409.942	5.037	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	532225827	XYOVPFJSFUSQLQ-NRFANRHFSA-N	416.456	5.562	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)N(C)Cc3cccc(C#N)c3)c2C)c1	535223220	YSLTUXSXLQCNRH-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
CCC(CC)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C	536071069	OOPJOKYRPXLORQ-KRWDZBQOSA-N	412.946	5.820	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1	537099642	KLSNJLJYKYAZTC-WNYOCNMUSA-N	415.946	5.243	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1[C@@H](C)C1CC1	537478130	PSGUVBHGNMTBJM-SUMWQHHRSA-N	410.930	5.430	30	20	HKED	
CCN(C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccc(C#N)c(Cl)c1	539172748	LBMMBALBMMJJGM-UHFFFAOYSA-N	407.857	5.032	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)NCc2ccc(F)c(C#N)c2)cc1OC	540377100	VRLRAABVLZMHQD-QHCPKHFHSA-N	404.485	5.097	30	20	HKED	
C[C@H]1N(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCC12CCOCC2	544532564	JWXLHCQWKQAGPG-MRXNPFEDSA-N	410.901	5.035	30	20	HKED	
Cc1nc(C2CC2)oc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	545449520	YYKURONPAJWKQH-ZDUSSCGKSA-N	418.305	5.781	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cccc(OCc2cccnc2)c1	551699891	VYCJHAJHTLIEGP-UHFFFAOYSA-N	419.484	5.379	30	20	HKED	
CCOC1CC2(CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)C1	567224751	WQPWPRQZQAEARX-MMPATGFWSA-N	423.944	5.418	30	20	HKED	
COc1cc(C[S@](=O)Cc2cc(C)ccc2C)ccc1OCc1cccc(C#N)c1	570545963	BZWYBKGNOZCYMZ-PMERELPUSA-N	419.546	5.212	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNc1nc2c(cc1C#N)CCC2	603867066	GVPPQMUESYSQCU-UHFFFAOYSA-N	400.482	5.030	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1sccc1C#N	603945775	OJAWPOFJKDLDEV-UHFFFAOYSA-N	419.890	5.287	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)cn2)c1	604100522	DDAYCRSMTJEVFL-UHFFFAOYSA-N	406.804	5.272	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)cc1	604461326	AMZMALOTVCUMSI-HSZRJFAPSA-N	401.441	5.859	30	20	HKED	
COc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	608785386	WCHNIYKIKGXBBF-OAQYLSRUSA-N	415.449	5.004	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2C)c1	609064966	PJXGJYHVBSTFOX-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCc1ccco1	609377415	FFMNXGSKSZKXCL-INIZCTEOSA-N	408.548	6.076	30	20	HKED	
CC(C)OCc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1	609643115	QFPPCWJPYYVQNP-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
N#CCCn1ccc(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)n1	609790021	VTTULDYOMMDBLT-UHFFFAOYSA-N	408.527	5.361	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(Cl)c1Cl	609811204	UAQWSTWRQILOCH-QWHCGFSZSA-N	408.354	6.128	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3nnc(-c4ccsc4)s3)c2)cc1	610011033	FEWSFHDCSWUSSN-UHFFFAOYSA-N	403.492	5.134	30	20	HKED	
C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1-c1ccc(Cl)cc1	610086972	IANRBIBWUPITQN-MRXNPFEDSA-N	410.926	5.059	30	20	HKED	
COc1ccc(NC(=O)[C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Cl	610346280	RPHCCXGXXJAATE-HJPURHCSSA-N	419.912	5.251	30	20	HKED	
CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1cc(Cl)ccc1C#N	610793999	PHLRKXQLZJAEEL-UHFFFAOYSA-N	421.831	5.631	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)C1	612310205	KDKAMCGWEFTVOU-MRXNPFEDSA-N	407.408	5.220	30	20	HKED	
N#Cc1ccc(CN2CCC(Nc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)cc1	613667604	QOYFTXQOZRLNRZ-UHFFFAOYSA-N	409.402	5.289	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[C@H]1C(F)(F)F	616760872	MTIKSZXSWPDGFZ-QGZVFWFLSA-N	418.419	5.188	30	20	HKED	
N#CCCCn1cc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)c2ccccc21	618199315	ZFPXXBRQVPKOSD-UHFFFAOYSA-N	404.901	5.052	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	619727148	PZFJLCIUXJJMOM-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
N#Cc1ccc(CNC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1Cl	619821647	MYYSYBCRSXOAOT-UHFFFAOYSA-N	422.897	5.081	30	20	HKED	
Cc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)o1	681128050	AHGOYWXHTUWEHJ-YUMQZZPRSA-N	411.264	5.246	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	682988412	FKPFCXWNWCVMRX-MFKMUULPSA-N	406.433	5.281	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1Cl	726487060	XRFDEWHUAFCGEF-KRWDZBQOSA-N	407.873	5.177	30	20	HKED	
CCn1c([C@H]2CCCN2C(=S)Nc2ccc(C#N)c(Cl)c2)nc2ccccc21	726489561	PHVJQGDPOVCEID-LJQANCHMSA-N	409.946	5.115	30	20	HKED	
Cc1cc(/C=C\C(=O)Nc2ncccc2OCCCC#N)c(C)n1C1CCCCC1	726958107	QXLBZQFFMAYYJY-SEYXRHQNSA-N	406.530	5.340	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2ccccc2SCC#N)cc1Cl)c1ccccc1	728023880	BHCNKAVDABMGSJ-INIZCTEOSA-N	421.953	6.381	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1	729947174	MYPSKOQDWQCHIZ-NRFANRHFSA-N	410.445	5.339	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3SCCC#N)cs2)cc1	730981988	GNVBKMODMJNXJF-UHFFFAOYSA-N	421.591	6.120	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccc(C(F)(F)F)nc1O	731564352	BMCHNQJSVHAASC-VMPITWQZSA-N	409.816	6.084	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(OC3CCCC3)c2)ccc1OC	733620086	PPNABUXKHGDUKL-IBGZPJMESA-N	423.513	5.019	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CSc2ccccc21	735770646	WCYYNJVNKGOHEH-RBUKOAKNSA-N	414.486	5.016	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	739179456	DNVKJNQMRHHQQR-ABAIWWIYSA-N	406.404	5.509	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cnc(-c2ccncc2)s1	741517483	JNXQJLOAZXFZAK-UHFFFAOYSA-N	422.579	5.595	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ncoc2-c2ccccc2Cl)cc1	741900834	BYCOZFMSWGLWQE-HXUWFJFHSA-N	413.864	5.903	30	20	HKED	
CCC(CC)c1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)on1	743093833	YIOXLRBHQNDUAK-QFIPXVFZSA-N	402.498	5.555	30	20	HKED	
Cc1ccc(Oc2ccc(N[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)nc1	743477890	VBSHKFCNEAHTCH-SFHVURJKSA-N	418.472	5.069	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)ccc1OC(C)C	744443959	PUYCNOJJKRDNPT-CQSZACIVSA-N	415.877	5.298	30	20	HKED	
COc1cc(C(=O)/C=C/c2cc(Br)c(OC)s2)ccc1OC(F)F	746523796	YELQAYUMLHPFJJ-SNAWJCMRSA-N	419.243	5.025	30	20	HKED	
CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)c1sccc1C#N	748053295	AGZPPVSKYIXFNY-UHFFFAOYSA-N	402.522	5.147	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1	752376296	NQXIYJMVPWQPQJ-UHFFFAOYSA-N	420.494	5.281	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1OC(F)F	753395799	PQSWOQJORUXVOS-RXHHAWBHSA-N	420.415	5.192	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@@H](c2cccc(Br)c2)C(F)(F)F)c(F)c1	755378223	DTNJLCHYMBZKGF-AWEZNQCLSA-N	420.131	5.059	30	20	HKED	
COc1cccc2c1C/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O	759653321	PFUFHZKDOCMUCV-UVTDQMKNSA-N	424.909	5.312	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1	761661733	LDGUTRBVMARXBU-OAQYLSRUSA-N	409.848	5.293	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)s2)cs1	762446146	DMYOGFRQKZKMIF-XBXARRHUSA-N	413.911	5.310	30	20	HKED	
C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1cccc(OCc2ccccc2)c1	766967554	YYPNICSHGPHADS-LJQANCHMSA-N	401.462	5.015	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc21	767599215	VNMJXJMJURJVQL-DEOSSOPVSA-N	418.500	5.853	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(Br)cc2Br)cc1	768945507	UZYULQOPWGNIFC-UHFFFAOYSA-N	422.120	5.081	30	20	HKED	
COc1ccc(-n2nc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2C)cc1	770645458	UHOHAPKXLBESPK-DEOSSOPVSA-N	422.488	5.097	30	20	HKED	
C=CCC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(C(F)(F)F)cc1	775037976	QUJUKUQJPFWTKW-MRXNPFEDSA-N	410.392	5.125	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCO1	781797528	OKVDDEUGQLCRAR-LPMFXHHGSA-N	404.482	5.106	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCCN1c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	786311720	MJLBWZPSOWYPHW-UYAOXDASSA-N	407.926	5.309	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nccc4ccccc34)c2c1C	792095751	LXWZLYWJZQOEBI-QGZVFWFLSA-N	418.547	5.215	30	20	HKED	
C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)[C@H]1c1ccccc1	797549460	KKUVCVCESXKSHP-AOYRSGHYSA-N	400.425	5.541	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(Br)ccc1O	806451679	KPXDWXCOQPIBGW-UHFFFAOYSA-N	403.320	5.328	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1	812982240	ITHZWCAZZWZFPD-DEOSSOPVSA-N	408.542	5.181	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1	917517480	GPTPBOYDXUBNHF-ZRDIBKRKSA-N	402.425	5.294	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3S)CCC2)cc1	1785843195	HIIFMAPSFTZULX-UHFFFAOYSA-N	423.582	5.110	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cccnc3)cc2)CCC1	1788274482	DVQLREMAFRRQCE-UHFFFAOYSA-N	419.569	5.141	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1828828333	JBLOCPUQLGBTOQ-FCHUYYIVSA-N	418.597	5.047	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccccc1	8573680	BZPJJZLPNWUBMX-GHTZIAJQSA-N	420.582	5.269	30	20	HKED	
C[C@@H](C#N)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1	23563660	DGDMLMVCXVKBGA-AWEZNQCLSA-N	423.592	5.233	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(C(C)C)cc3)no2)nnc1-c1ccoc1C	24703607	QEBOWAYCSUINMC-UHFFFAOYSA-N	421.526	5.498	30	20	HKED	
Cc1nc(-c2ccccc2)sc1/C(O)=N/c1nc(CN2CCCCCC2)cs1	29637322	ATIGZJZDSKBUPQ-UHFFFAOYSA-N	412.584	5.587	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	39776264	TZKCWOSDCVRVGV-GFCCVEGCSA-N	415.223	6.112	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Br)ccc1Cl	46538148	WAMVTUHLGRVPNP-UHFFFAOYSA-N	411.686	5.150	30	20	HKED	
COc1cccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	48161471	VGJCUKPDVMFXPF-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1	57083992	DSELBZKPASKGJB-UHFFFAOYSA-N	402.841	5.441	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	65839625	ADDPXTSTVBPJHF-UHFFFAOYSA-N	414.465	5.242	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCCC2)cc1	71843579	LVTGUPDOTRXRQA-FQEVSTJZSA-N	424.614	5.741	30	20	HKED	
C[C@@H](c1nnc(S[C@H](C)c2ccc(C#N)cc2)n1-c1ccc(Cl)cc1)N(C)C	261477103	YCDGHLBCQYXWBK-LSDHHAIUSA-N	411.962	5.268	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)Oc1cccc(Cl)c1	303458291	FIGQELATLNTPQS-UHFFFAOYSA-N	421.884	5.504	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)CNc2cccc(C#N)c2)nc1-c1ccccc1	426856966	DZRFGPCCAOCSTK-OAQYLSRUSA-N	414.509	5.112	30	20	HKED	
CCSc1ccc([C@@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1	428710853	PFFDYGQIEDHCSW-QGZVFWFLSA-N	404.539	5.067	30	20	HKED	
Cc1cnc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	429060122	KYYYMDGLUZGBNM-MRXNPFEDSA-N	406.511	5.093	30	20	HKED	
Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2)cs1	430580944	GRDDSXMZKSLUKW-KRWDZBQOSA-N	411.552	5.275	30	20	HKED	
CSc1nnc(CCCNc2ccc(C(F)(F)F)c(C#N)c2)n1C1CCCC1	433799458	AKNYBIUMLOTSQY-UHFFFAOYSA-N	409.481	5.050	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc2ccccc2s1	434621162	PSXGSWXUUAVGOY-CQSZACIVSA-N	407.401	5.252	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C3(c4cccc(C#N)c4)CC3)s2)cc1	435013213	WNACBOULSORRKR-KRWDZBQOSA-N	401.535	5.208	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1ccccc1	435362815	QPIKDUAEQOAVLW-KRWDZBQOSA-N	404.539	5.500	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(-c2cccs2)no1	439643181	FQCORMYJQRYKPS-ZDUSSCGKSA-N	406.442	5.774	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1	442286883	VUJKRMZUWSLBFO-LEWJYISDSA-N	423.523	5.373	30	20	HKED	
CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	442742203	XCVLEKXDNUTQPL-MPIRFRCKSA-N	407.480	5.313	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1	443670558	VWMJCISHPMLVDS-UHFFFAOYSA-N	420.900	5.065	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(C(F)(F)F)cc2)nnc1-c1cccs1	460871405	BYHAWXZRACZYHT-UHFFFAOYSA-N	409.458	5.186	30	20	HKED	
C=CCc1ccc(OCc2ncc(-c3ccccc3Br)o2)c(OC)c1	462548444	CPARSECCVAAUDI-UHFFFAOYSA-N	400.272	5.420	30	20	HKED	
N#Cc1cc(NC(=O)C2CCSCC2)ccc1Oc1ccc(C(F)(F)F)cc1	464293268	IECBWHUYRMCIAU-UHFFFAOYSA-N	406.429	5.451	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c2ccccc21	468932537	JBYFEWZTFVOFHU-UHFFFAOYSA-N	415.443	6.143	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1	475548845	OVTZWMIYQAWILZ-UHFFFAOYSA-N	423.557	5.175	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1	476115223	YCBWOJQCHMAVGD-UHFFFAOYSA-N	407.489	5.607	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1	480740975	XTBMVOVDTCKGGA-UHFFFAOYSA-N	417.962	5.133	30	20	HKED	
N#Cc1cc(Cl)ccc1CN[C@H](CC(F)(F)F)c1ccc(Br)cc1	481184275	BCDTVTVPOATJOK-MRXNPFEDSA-N	417.656	5.757	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NCC(C)(C)CCC#N	481283729	KOCOZGZYWVYZMN-UHFFFAOYSA-N	412.921	5.352	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2CC)nnc1-c1ccc(C)cc1	481368381	JRFKYVYPNYJMSU-KRWDZBQOSA-N	406.555	5.121	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	483434425	WAJMSCCXXZPNHA-CQSZACIVSA-N	405.763	5.207	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](C)c1ccccc1OC	483696752	IQIMWCAOYKMVJA-OAHLLOKOSA-N	420.322	5.305	30	20	HKED	
CSc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1[N+](=O)[O-]	486994752	GFSYYAWWMFPTAK-NSHDSACASA-N	403.872	5.070	30	20	HKED	
CSc1cc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)ccc1NC(C)=O	490477712	FMEOYXNJRYKFNH-UHFFFAOYSA-N	417.490	5.283	30	20	HKED	
Cn1cc(CNc2cc(F)ccc2SCC(F)F)c(-c2ccc(C#N)cc2)n1	491034376	SCQWUKOZGMNNML-UHFFFAOYSA-N	402.445	5.067	30	20	HKED	
CC(C)(NCc1cccc(OCc2ccccc2C#N)c1)c1cc(C(F)(F)F)on1	492193242	NRHZVPQQTCPBCB-UHFFFAOYSA-N	415.415	5.169	30	20	HKED	
CCOc1ccccc1-c1nnc(SCc2cc(C#N)ccc2Br)o1	492212139	WYOQWSNIIDMPBN-UHFFFAOYSA-N	416.300	5.062	30	20	HKED	
CCN(C(=O)COc1ccc(C#N)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	496519933	UAICKPDBZXQSDG-SANMLTNESA-N	413.521	5.094	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)cc1	498538648	FVDLWQGORLRUBO-AWEZNQCLSA-N	407.297	5.106	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)c2)cc1	501453930	WTMXEGOMSQURJN-UHFFFAOYSA-N	416.908	5.655	30	20	HKED	
CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	501712048	UKYKIZWZFOHXCV-IBGZPJMESA-N	403.507	5.046	30	20	HKED	
C[C@H](NC(=O)N1CCC(CC(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1	501874651	UGIQWNJTNDKKLP-INIZCTEOSA-N	415.459	5.660	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(Br)c1Cl	506699407	BHXBUDRKMWBQOX-WBVHZDCISA-N	403.707	5.014	30	20	HKED	
CCN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21	508268579	ZCMZPJKDPKZIJE-KRWDZBQOSA-N	416.344	5.412	30	20	HKED	
CSc1cccc([C@H](NC(=O)N2CCC(C)(C#N)CC2)c2ccc(F)c(F)c2)c1	508345881	XMVOVXZGTJSLMD-FQEVSTJZSA-N	415.509	5.111	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2cccc3ccccc23)CC1	508902658	LKMUAMNWICKFDH-FDDCHVKYSA-N	402.542	5.099	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccccc2Cl)CC1	510123835	LXVJEKJNVKRLSK-INIZCTEOSA-N	411.958	5.913	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(OC(F)F)cc2F)c1	512442880	UVISAMWTFJSVAU-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N	513104343	HCVJHACCWDWRGT-KRWDZBQOSA-N	423.541	6.148	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1	513301719	NQULQCZHZRLHNM-NRFANRHFSA-N	418.880	5.044	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cs2)cc1	514495351	JPBZHSPFHUCXPN-UHFFFAOYSA-N	403.551	5.224	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1	516269940	GCTJJLWJWCQWLS-INIZCTEOSA-N	413.296	5.071	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nc2c(s1)CCCC2	518169669	KSVVGTDOMSMPQW-LSDHHAIUSA-N	406.473	5.363	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)nc(C)n1	518175533	DBJGRSMIRQIGDA-CYBMUJFWSA-N	402.306	5.619	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	518649069	MWFCCJPQLDNPBZ-UHFFFAOYSA-N	418.478	5.596	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3Cl)cc2)nc1	518924833	ICJBOGYLDVIALO-FQEVSTJZSA-N	417.896	5.246	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)o2)cc1	519515435	IRTNLVZZCIARKR-OAHLLOKOSA-N	404.491	5.796	30	20	HKED	
CCc1nc2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccc2o1	521300942	WWKGCZIMVMLBEZ-UHFFFAOYSA-N	413.481	5.037	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1OCc1ccccc1	521417719	NKHXUDVIKVBQPT-UHFFFAOYSA-N	413.521	5.257	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(COc2ccccc2)CC1	521810916	JSPGRTMKJAFAIV-GOSISDBHSA-N	409.555	5.404	30	20	HKED	
C[C@@H](Nc1nc(CN(C)C)nc2scc(-c3ccccc3)c12)c1ccc(C#N)cc1	522742547	PMZLXVXMAXRNIS-MRXNPFEDSA-N	413.550	5.465	30	20	HKED	
CC[C@](C)(C#N)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1	523670278	NJZDYWQKKNIMGA-LJQANCHMSA-N	421.353	5.183	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1	523884681	XPSBYULKZWCRSK-NRFANRHFSA-N	403.869	5.376	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCSC[C@@H]3c3ccccc3)c2)c1	524529268	CHUTYRDFMIKRKG-XMMPIXPASA-N	414.530	5.068	30	20	HKED	
COc1ccccc1CCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	524658379	XAKRTMACWMFBAB-UHFFFAOYSA-N	401.466	5.066	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	525457965	LYWLAWYANHOQCS-UXHICEINSA-N	416.443	5.245	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2c(F)cccc2F)c1)c1ccc(C(F)(F)F)cn1	534583097	SWVQFYOZOPNPKL-OAHLLOKOSA-N	402.322	5.536	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1	537009417	QUWHTIWUQPWUEL-SANMLTNESA-N	418.500	5.209	30	20	HKED	
Cc1coc(-c2cccc(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)c2)n1	538044928	GERJZDQZHHAALQ-UHFFFAOYSA-N	408.461	5.510	30	20	HKED	
CCC(CC)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C	539541030	ZALICKIYVUTUFY-UHFFFAOYSA-N	420.488	5.395	30	20	HKED	
N#C[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1cccc(Cl)c1Cl	543432019	DMDWZCCCSCXABY-HNNXBMFYSA-N	420.296	5.180	30	20	HKED	
C=C(C)[C@H](Cc1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1)OCC	545839828	ABLXOTRZWZTHOB-INIZCTEOSA-N	420.296	5.754	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)n1	549867117	OUGCHUCIGBBBCB-UHFFFAOYSA-N	420.441	5.141	30	20	HKED	
C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cccs2)CC1	549951443	FLYJAVIZVHYKJX-UHFFFAOYSA-N	424.570	5.007	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCNc1ccccn1	552306343	VSQXNIRMPDRQJH-UHFFFAOYSA-N	415.497	5.068	30	20	HKED	
C[C@H](NC(=O)c1cscc1Br)c1ccc(-c2cccc(C#N)c2)cc1	552415374	FSMBIOYSUUMYHZ-ZDUSSCGKSA-N	411.324	5.540	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCN(c4ccccc4)CC3)c2)cc1	576059886	XCISBVKOHZZSEY-UHFFFAOYSA-N	412.493	5.095	30	20	HKED	
C[C@H]1C[C@H](CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H](C)O1	580965002	RDWYZSWFPACWPY-CEQLMSFQSA-N	421.541	5.047	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F	584684467	IPGZJXJKTWYBRV-HNNXBMFYSA-N	405.420	5.332	30	20	HKED	
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	590257920	QFNOOHMDUMDPGA-NGYIFUPDSA-N	410.533	5.859	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1F	590325281	GXAHUGCUHSVDJW-SNVBAGLBSA-N	408.317	6.088	30	20	HKED	
Cc1ccc(C(=O)C2CCN(c3c(C#N)cnc4c(F)cc(F)cc34)CC2)c(C)c1	602229647	OQDZCIMFGHIIHV-UHFFFAOYSA-N	405.448	5.101	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)cn2)cc1	603829208	NYQQENRKHARZFX-UHFFFAOYSA-N	418.884	5.595	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCc3ccccc3Br)cn2)c1	603960558	ZIVOBNQHZRKDCC-UHFFFAOYSA-N	422.282	5.079	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1cccnc1	607759216	SZEAHAMFMYYLII-OAQYLSRUSA-N	402.498	5.547	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccn1Cc1cccs1	608869116	PTHMHKRISOJXHY-UHFFFAOYSA-N	414.490	5.218	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1	609317819	FTDUVTCPKQZDPB-AWEZNQCLSA-N	407.499	5.044	30	20	HKED	
Cc1ncsc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	609422325	LGBCVXSBFZQNQI-UHFFFAOYSA-N	412.902	5.433	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)CC1CCOCC1	609555927	LYOLLRHKJNCLAA-IBGZPJMESA-N	423.582	5.542	30	20	HKED	
CCOc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OCC	609640813	WZTZRMAIMMHYEU-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1Cl	609990087	HIFDZCVSCCRMCJ-UHFFFAOYSA-N	404.857	5.166	30	20	HKED	
C=C[C@H](CC(=O)N1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1)c1ccccc1	611146143	DSJNTFOIUSPOKM-PXDATVDWSA-N	419.565	5.322	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC(c4nc(-c5ccccc5)cs4)CC3)cc2)CC1	611478139	RLAPSMFOIOKCRN-UHFFFAOYSA-N	413.546	5.385	30	20	HKED	
CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	615497088	HJHKVVHNXLCGQY-UHFFFAOYSA-N	411.465	5.281	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H](C)c1cccc(C#N)c1	619529192	VKNYWOUBTAUHOI-NSHDSACASA-N	400.265	5.320	30	20	HKED	
Cn1c(Cc2cccs2)nc2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)ccc21	672579958	FLPZFFUEHFZVMX-IBGZPJMESA-N	422.513	5.264	30	20	HKED	
Fc1ccc([C@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccn2)cc1	680336542	IQUJSZOGJARIPW-MMNPAVHPSA-N	420.372	5.809	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1F	726858310	HURAPJAPCMFQPL-BXUZGUMPSA-N	406.404	5.824	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cccc(O[C@@H](C)C(=O)O)c1	727267838	STFPECUEUISEDO-KGBIHWOQSA-N	411.454	5.006	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(SC(F)F)c2)c1	727344592	GNAKJPPEZQVTPX-UHFFFAOYSA-N	400.406	5.297	30	20	HKED	
N#C[C@H](COC(=O)c1csc(-c2ccccc2Cl)n1)Cc1ccc(F)cc1	727631454	GNNNATQLKWNHOD-CQSZACIVSA-N	400.862	5.142	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)OCc3csc(-c4cccs4)n3)o2)cc1	728110697	QITDJAVCHYEAED-UHFFFAOYSA-N	422.487	5.272	30	20	HKED	
Cc1oc2c(CN(CCC#N)CCC(C)C)c(O)ccc2c(=O)c1-c1ccccc1	728901348	GBYAIMKGUZHXFT-UHFFFAOYSA-N	404.510	5.236	30	20	HKED	
Cc1cccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)[C@@H](C)CC#N)c2=S)c1	728902913	YCAWBABBORUPHQ-INIZCTEOSA-N	411.962	5.224	30	20	HKED	
N#CCOc1ccc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1	729241117	LKMITBWSRZIPDY-UHFFFAOYSA-N	405.957	5.511	30	20	HKED	
CC(=NOCc1nnc(-c2ccccc2)o1)c1ccc(OCc2ccc(F)cc2)cc1	729675789	SYPQLLCXYSGALU-UHFFFAOYSA-N	417.440	5.396	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc2ccccc2s1	730165343	HAAIWJBFIMSNRM-UHFFFAOYSA-N	403.438	5.376	30	20	HKED	
CO[C@](C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	730398193	GACCNZOWMXPMQS-KUHUBIRLSA-N	404.413	5.053	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc2ccccc12	731071463	OIBMFFKTPIXIMN-AWEZNQCLSA-N	410.520	5.091	30	20	HKED	
N#CCOc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)cc1	731987629	ZBCRLINJACGSLP-HSZRJFAPSA-N	410.945	5.093	30	20	HKED	
C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	732016495	BADSOELAAQKXQT-WYEJZRMESA-N	412.489	5.341	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1c(Cl)cccc1Cl	733258614	GQCNOLPPNRLFLD-CYBMUJFWSA-N	418.505	5.404	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1	734643903	JVFVEPIJVLIWBB-RUZDIDTESA-N	413.496	5.925	30	20	HKED	
C/C(=C\C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1C(F)(F)F	741926001	ZOBKUNUCYNNHEW-DTQAZKPQSA-N	414.427	5.050	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2c(C)cccc2F)cc1OCC	742379882	CEOPESYJUXWNGT-UHFFFAOYSA-N	408.311	5.150	30	20	HKED	
C#CCCCNC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	743138514	PNAASVHHDMZWOU-UHFFFAOYSA-N	409.873	5.109	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@](C)(CCC)C2)c1=S	743405236	FLQZNZDWWSWBRQ-QFIPXVFZSA-N	400.592	5.135	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc(F)c2F)cs1	743443094	QFTOUUVCOIQBJB-UHFFFAOYSA-N	406.845	5.205	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1nc(C(C)C)cs1	747192808	AWVXTRONSPGUNH-ZDUSSCGKSA-N	409.374	5.306	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)c1	750683516	GODWWDAROBOEKR-KSSFIOAISA-N	423.925	5.025	30	20	HKED	
CCCCN(C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@H](C)c1ccc(C)o1	752306547	YCVZOLXBJNHEPF-MRXNPFEDSA-N	412.490	5.423	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC(Oc3ccccc3Cl)CC2)cc1Cl	753891126	KQFOFLRSMMXJHR-UHFFFAOYSA-N	406.338	5.105	30	20	HKED	
CC(C)c1nc(C#N)c(NN=Cc2c(C(C)C)nn(Cc3ccccc3)c2Cl)o1	754706597	NCOFFGQILHSUSC-UHFFFAOYSA-N	410.909	5.137	30	20	HKED	
C[C@H](O)C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	759495282	NMQSZNYXIZZTQQ-QXWFJRNPSA-N	413.521	5.018	30	20	HKED	
C=CC[C@@H](N[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1	766019251	LCFRQRVZWURSFW-FZKQIMNGSA-N	411.855	5.378	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)ccc2c1	770857088	CQGFKIWEZPHEAB-ORAYPTAESA-N	404.466	5.577	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1	774023800	PTEKPHANDNOFRO-DCLXLUIPSA-N	403.526	5.013	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)n1C(C)C	787048785	IDSQOSABSAPISY-SCLBCKFNSA-N	420.340	5.193	30	20	HKED	
N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nccc2ccccc12	792091851	NQYCTEDUJQBLHL-JOCHJYFZSA-N	408.457	5.069	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)c(Cl)cc2OC)c1	792453676	MHRTYACSPWRRFV-ZDUSSCGKSA-N	408.285	5.005	30	20	HKED	
CN(C)Cc1cnc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1	794709020	WXEGPAUDMHHXOW-ARJAWSKDSA-N	408.367	5.138	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)O[C@@H](C)C2	797573336	QUNPVYAJINGFFO-QXRTWZOPSA-N	424.566	5.143	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C/Sc1cc(F)ccc1F	797830354	LAJPGWPNDSWNSQ-CSKARUKUSA-N	423.444	5.577	30	20	HKED	
CCOc1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1	801666229	RZSSCUZMSXYYJQ-HNNXBMFYSA-N	409.301	5.772	30	20	HKED	
C[C@H](N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)cc1	810258644	XUFYUKVRGAALCH-KKSFZXQISA-N	421.541	5.858	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccccc1	814633041	HJEQFRGEXAWAAI-HSZRJFAPSA-N	400.482	5.217	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cnc([C@@H]3CCCO3)s2)cc(C(F)(F)F)c1	814948783	FPAHIDMFPCVMPB-ZDUSSCGKSA-N	409.355	5.478	30	20	HKED	
C=CCOc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1	913368415	UAMVJGHQNKGPHQ-IBGZPJMESA-N	415.489	5.026	30	20	HKED	
Cc1cc(C)n(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	915102973	MFHSWXKKCWMYSQ-OAHLLOKOSA-N	419.337	5.197	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1Cl	916056834	JGQJTOGKRLOJDD-INIZCTEOSA-N	416.695	5.950	30	20	HKED	
COc1ccc2cc(C(=O)/C=C/c3cc4ccccc4nc3N3CCOCC3)ccc2c1	916136930	GNFAGQVKIHQPKP-PKNBQFBNSA-N	424.500	5.129	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	916907283	LSHIOHSCGCEEIQ-VGOFRKELSA-N	420.553	5.224	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)o1	916927161	DPEKTLSLWLNHJN-CQSZACIVSA-N	417.223	5.354	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Oc3ccccc3)c3ccccc3)n2)cc1	916975020	UZFXZDHWKZIWMG-RDGATRHJSA-N	424.525	6.115	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2csc(-c3ccccc3)n2)SC1=S	917644385	CRDORYXPBZYBFU-LICLKQGHSA-N	405.529	5.088	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1	918368898	KFYMYRHHDUIJEM-UHFFFAOYSA-N	412.493	5.060	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(Cl)cc3)n2)cc1	920139219	OYEQYIUWLVGGSN-SFHVURJKSA-N	424.909	5.311	30	20	HKED	
C=CCCC[C@@H](NC(=O)N1CCc2c(ncn2-c2ccccc2)C1)c1ccccc1	929084089	NIDUDKJAJNMHFU-JOCHJYFZSA-N	400.526	5.038	30	20	HKED	
N#Cc1ccc(CN(CCSC2CCCCC2)c2ccc3nc(O)[nH]c3c2)cc1	1191781615	RCBVKRGIIXWMBM-UHFFFAOYSA-N	406.555	5.213	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1	1791253293	ALOAUGSJTLTGRE-QGZVFWFLSA-N	402.494	5.393	30	20	HKED	
C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1-c1ccc(C)cc1)C2	1801640572	LLYAHSYWLXKTLD-SNJCGAMXSA-N	416.565	5.126	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1	1830059365	FCRNEERNXKFKFK-YKSBVNFPSA-N	410.602	5.256	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CCC)cc2)CC1	1830105619	MSXPEZWLIJDNJI-VWLOTQADSA-N	422.613	5.066	30	20	HKED	
N#Cc1ccc(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1	18476534	FQOWQLUDFDTVFT-UHFFFAOYSA-N	403.941	5.163	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1	20969928	USWOVMDSCOSYQS-UHFFFAOYSA-N	422.579	5.224	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccc(Oc2ccccc2)cc1	23303598	MJDJTVBOHOUIMA-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)cs1	48855977	UYNINYOCGIHEMK-HXUWFJFHSA-N	415.543	5.782	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F	55823808	VNYSEKQFECUOAU-UHFFFAOYSA-N	418.468	5.051	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1	57282410	FJKXSQYAIHCMKN-MRXNPFEDSA-N	417.490	5.250	30	20	HKED	
COc1cc(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)ccc1OC(F)F	71813577	VKYUDTZPOZWSAQ-BQYQJAHWSA-N	405.397	5.455	30	20	HKED	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	107830985	CFIXOQMVYGTNPG-CYBMUJFWSA-N	412.864	5.283	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(CN2CCSCC2)c1	138631211	ICAWMKRVGGNMAX-UHFFFAOYSA-N	413.546	5.026	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(OCc2ccccc2C#N)c1	302961259	GLLMEKWAYAKHAQ-UHFFFAOYSA-N	422.431	5.011	30	20	HKED	
N#Cc1c(F)cccc1CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1	428433223	BJEPTAYSQYAFGO-INIZCTEOSA-N	401.201	5.243	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1	430529638	IQZCXIHWBCSRSQ-GFCCVEGCSA-N	412.232	5.588	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1Cl	432174781	HMTMQXZFSQFVNB-ZDUSSCGKSA-N	404.297	5.459	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	432670855	PFGIBDYPWDQVTD-HSZRJFAPSA-N	415.541	5.611	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1Cl	434147193	CQEHYCOVCIWTHS-KSSFIOAISA-N	421.850	5.802	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1	436072747	CHAMIMYRLWIRHA-UHFFFAOYSA-N	401.466	5.262	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437478472	RUVTUIATHHWZFZ-UHFFFAOYSA-N	415.346	5.464	30	20	HKED	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)CCO2	437673042	JZPHEEBZMXRRPQ-QHCPKHFHSA-N	413.477	5.125	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(Cl)cc2Cl)c(OC(F)F)c1	439545252	TWNHPMFDBFRULG-UHFFFAOYSA-N	417.264	5.338	30	20	HKED	
C[C@@H](Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C#N)cc1	439608176	UOTXJYDRWCHATF-MRXNPFEDSA-N	423.438	5.680	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1	440238178	HRVJAWLWIPKAOP-XLIONFOSSA-N	407.905	5.108	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1C	442529933	RSOSTHNVAIPKMW-SNVBAGLBSA-N	424.270	5.362	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	443877674	KUEWZOQCZPXPTF-UHFFFAOYSA-N	419.403	5.324	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C1CC1)[C@@H](C)c1ccco1	444384352	RHQWFNXYDIQEKR-KRWDZBQOSA-N	401.466	6.010	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCn2c(cc3c(Cl)cccc32)C1	444895425	JUIGNADKMBNUJF-OAHLLOKOSA-N	424.957	5.737	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCCC1(C)C	444897240	NJLXLXVFJISXCH-QFIPXVFZSA-N	423.532	5.606	30	20	HKED	
C=CCN(C(=O)c1cnc(Cc2ccccc2)s1)c1nc(-c2ccccc2)cs1	445665082	OTMBDSFHTSTXCM-UHFFFAOYSA-N	417.559	5.690	30	20	HKED	
COc1cc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC	445795030	MWPDMKOWNWFKNS-UHFFFAOYSA-N	424.444	5.289	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1	446025348	DDOLXXTZTMPDKV-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
CC(C)(C#N)CC(=O)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F	447346532	XJMXRMUMQKQMHT-UHFFFAOYSA-N	407.258	5.200	30	20	HKED	
CC(C)(C)c1csc(-c2cccc(OCc3nnc(-c4ccc(C#N)cc4)o3)c2)n1	462639480	JCAUUZMBCASQIQ-UHFFFAOYSA-N	416.506	5.608	30	20	HKED	
CN(C(=O)Nc1cc(F)c(OC(F)F)cc1F)[C@H]1CCCC[C@H]1C(F)(F)F	463699435	ZHKMGFIMGUFAQI-PELKAZGASA-N	402.310	5.151	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cs1	463747756	WFNMSCYXRYTSBE-INIZCTEOSA-N	402.306	5.420	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2cccc(CC#N)c2)c2ccccc2Cl)c(C)c1	464629665	KYYGOOJLZLHTSR-HSZRJFAPSA-N	404.897	5.243	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1	465429095	GYRSMZBQTXEKGD-RYGJVYDSSA-N	401.432	5.248	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1nc(-c2ccccc2)cs1	465909104	WPHQHUKDFSZHIL-UCNVEGJOSA-N	416.550	5.352	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2nnc(-c3ccccc3)s2)cc1F	467253530	JRZDZHLJZRSOAT-UHFFFAOYSA-N	402.454	5.620	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	470356998	WNQCGMGCRVVPKM-GOSISDBHSA-N	403.404	5.545	30	20	HKED	
Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c(Br)s1	471389558	BCLSGDKCQWYSIF-UHFFFAOYSA-N	403.326	5.672	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)CC1(O)CCCC1	474636493	USWCLFSVRMRAFI-LJQANCHMSA-N	423.582	5.420	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c(Cl)c1	474671440	HKIJQMYIZANGLI-HXUWFJFHSA-N	423.879	5.500	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)cc1	474902826	ZVGKZXAFNKVBBQ-RUZDIDTESA-N	416.565	5.394	30	20	HKED	
Cc1nc(CC2CC2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	475256446	BAAIGOIWXMEYMO-UHFFFAOYSA-N	417.534	5.301	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccccc1	475525749	DQDGKFUNCFODGP-INIZCTEOSA-N	413.308	5.264	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1	476155871	PUSQSEFODPMORS-UHFFFAOYSA-N	412.533	6.067	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(I)c(O)c1	476790287	QNFASQYQCOOYFA-UHFFFAOYSA-N	421.278	5.101	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1	477608553	MMUPCNGUMJIZLH-UHFFFAOYSA-N	402.344	5.175	30	20	HKED	
O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc(F)cc1-c1ccc(F)cc1	480172473	TUSOHCSSZRRSPT-UHFFFAOYSA-N	409.301	5.175	30	20	HKED	
CCCCn1ncc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C(C)C	482740607	IYXDUNFDAARBEE-UHFFFAOYSA-N	416.525	5.510	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2	483074830	OCEXZYVSLSOVHH-UHFFFAOYSA-N	411.914	5.622	30	20	HKED	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	485974320	CTAVIKLBLACCHC-QUCCMNQESA-N	415.537	5.198	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc(C(C)=O)ccc3OCC)o2)cc1	489799071	SLKDMMZKGPIADY-UHFFFAOYSA-N	410.495	5.195	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1c[nH]c(C#N)c1	489890559	ZKCXKSDISNNWNZ-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OCC(C)C)c2)cc1C	498632855	VNUYACBQJPUUIT-UHFFFAOYSA-N	416.525	5.368	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	503196236	GLIGXPUGJDKLIM-UHFFFAOYSA-N	403.438	5.020	30	20	HKED	
CCCc1noc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)n1	504570316	IMDSVTMJDGKXAZ-UHFFFAOYSA-N	408.405	5.168	30	20	HKED	
Cn1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c(-c2ccccc2Cl)n1	505327877	ZVIFEXBHNLGJKD-MRXNPFEDSA-N	419.699	5.042	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](COc4ccccc4)C3)cc2)c1	506644673	WATPLDAHNREZKZ-FQEVSTJZSA-N	413.477	5.283	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C3CCC(OC(F)F)CC3)cc2Cl)cc1	507768540	HKKZPJZESYITMG-UHFFFAOYSA-N	420.843	5.740	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	509201046	AYWVQJCQQWGBAF-UHFFFAOYSA-N	422.916	5.023	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(SCC)cc2)cc1	509232059	BZSZZKCNNQVZGN-GOSISDBHSA-N	423.582	5.496	30	20	HKED	
O=C(Nc1ccc(CC(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510105858	PMHFSCVKLZLFCX-OAHLLOKOSA-N	408.317	5.746	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)c1ccccc1	514028085	ZMQOCBAUKHCHJF-NQIIRXRSSA-N	411.933	5.185	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c2ccccc21	515121474	AWDCWLHRWBLSPF-HSZRJFAPSA-N	417.509	5.665	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CC3CCC(C(F)(F)F)CC3)cc2)ccn1	515465709	JPNJBLRARJDPBQ-UHFFFAOYSA-N	403.404	5.443	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1	516761199	MVFIQRNNPUIRDH-MRXNPFEDSA-N	419.447	5.182	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccccc3SC[C@H](C)C#N)CCCC2)ccc1C	517461599	YFWUNQYVTKGNSZ-QGZVFWFLSA-N	408.567	5.706	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	517478172	ICIZLCRNGHDYPO-MOPGFXCFSA-N	403.309	5.442	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	518738889	CXTCOPODIPWGQL-CQSZACIVSA-N	418.946	5.784	30	20	HKED	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(F)c(F)cc1F	520636095	MCDSBVISBRESKG-UHFFFAOYSA-N	417.227	5.159	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	521016098	GWQFVVKMFCABPL-VLIAUNLRSA-N	403.309	5.193	30	20	HKED	
CN(C(=O)c1oc2ccccc2c1CSCc1ccccc1)c1cccc(C#N)c1	521202232	CECYUDZQGGQDBS-UHFFFAOYSA-N	412.514	6.014	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	522305354	HKJBQQOGRHZYSF-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
COc1ccc(-c2nnc(S[C@H](C#N)C3CCCCC3)n2Cc2ccco2)cc1	524534916	JUMVJNNCXGUAQG-HXUWFJFHSA-N	408.527	5.160	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSC2CCCC2)c1	525447649	ROHHZXTUPBXHCC-UHFFFAOYSA-N	407.583	6.177	30	20	HKED	
CS(=O)(=O)c1ccc(-c2nc(CSc3ccc(C#N)cc3Cl)cs2)cc1	533636522	DDIMQWCYNFABMJ-UHFFFAOYSA-N	420.968	5.031	30	20	HKED	
C=CCCC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	534980464	NQPIYVDLFWIRQU-UHFFFAOYSA-N	423.252	5.068	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Sc4nncs4)c(Cl)c3)cc2)CC1	537416922	QVDNYFQJPWECBC-UHFFFAOYSA-N	412.927	5.150	30	20	HKED	
C=CCNc1nnc(SCc2cc(-c3c(OC)ccc4ccccc34)no2)s1	538660772	WYONWWVVXJVXKU-UHFFFAOYSA-N	410.524	5.245	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(OCC3CCCC3)CC2)cc1	539210393	HXIJAZBAKMUTLA-UHFFFAOYSA-N	417.553	5.106	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CC3CCC(C(F)(F)F)CC3)s2)cc1	541181848	BAOZWALJOKYRAW-UHFFFAOYSA-N	407.461	5.303	30	20	HKED	
CCSc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1	543573615	DQMJEINSTQJVOL-LBPRGKRZSA-N	401.463	5.085	30	20	HKED	
Cc1sc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)nc1-c1ccc(Cl)cc1	544471275	NINNZRHLJOPRSR-KBPBESRZSA-N	424.957	5.321	30	20	HKED	
Cc1cccc([C@H]2CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)c1	553124597	PZAPHDGJFHGNSX-FQEVSTJZSA-N	421.972	5.143	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC=C(c3ccco3)C2)cc1	554174151	YOEUEQADMVEIDI-UHFFFAOYSA-N	415.449	5.273	30	20	HKED	
N#CCCN(C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1ccc(F)cc1	558052215	WDMPJUFUPUJJOO-UHFFFAOYSA-N	415.443	5.528	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2nc(C3CC3)sc2c1	562137798	UDYUYHNTJOFVAT-UHFFFAOYSA-N	409.559	5.561	30	20	HKED	
C=CCC[C@@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1	571692631	KGVZPSVPNKVNFX-VQTJNVASSA-N	401.428	5.589	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)c(F)c1	573588649	NQKYMZVDRQRVRW-UHFFFAOYSA-N	407.823	5.143	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1	579163809	BHVADVIBBYLESG-FGZHOGPDSA-N	405.498	5.080	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc3nc(O)oc23)c1	579300191	ZEAMQJUQBUOXTD-UHFFFAOYSA-N	405.797	5.103	30	20	HKED	
C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	580646350	LMSSSNLUZIMEJR-VWLOTQADSA-N	412.493	5.331	30	20	HKED	
Cc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2ccc(C#N)cc12	590033160	MMIMHUYANYYESV-VXGBXAGGSA-N	420.378	5.284	30	20	HKED	
C=CCN(C(=O)c1cc(CC)c(C)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603459267	ICSYJOAUWYWNGI-UHFFFAOYSA-N	413.524	5.483	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(-c3nc(C)cs3)c2)c1C#N	608819776	GCCDQUDWUIFUEM-UHFFFAOYSA-N	406.536	5.237	30	20	HKED	
C=CCN(C(=O)c1cccc(C(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609149172	SHZCIVMFQVBNSS-UHFFFAOYSA-N	415.421	5.489	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1csc(-c2ccccc2)n1	609682472	KFMCNEHFRJOIPY-OAHLLOKOSA-N	408.552	5.384	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1	609729560	KMJPBBRDAFSFGL-HSZRJFAPSA-N	418.880	5.218	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1	609932735	FSRTXJKRMZCXKX-UHFFFAOYSA-N	421.488	5.964	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nccs1	610018346	AHDSYCNOFJIVSO-IBGZPJMESA-N	406.511	5.175	30	20	HKED	
CC[C@@H](C)Oc1cc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1OC	615728717	ZTMVXKAUBKHOEW-GOSISDBHSA-N	421.541	5.068	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1	615971915	ZZUZMJKVIWWVEX-UHFFFAOYSA-N	407.489	5.147	30	20	HKED	
C[C@H](C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1ccccc1C(F)(F)F	669691296	KVRYTLYYJNILDC-NSHDSACASA-N	423.328	5.918	30	20	HKED	
C=CCN(C(=O)c1ccnn1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	681549188	KVYBIXDCZOWRSC-UHFFFAOYSA-N	407.326	5.166	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCCCC(=O)c3ccc(F)cc3)cn2)cc1	681669031	IEZIQLOHLJSSPX-UHFFFAOYSA-N	417.440	5.266	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cnc2ccccc2n1	682993924	CSBXPLYIAXKAFH-CYBMUJFWSA-N	406.417	5.181	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2cccs2)c2ccc(F)cc2F)cc1Cl	726473806	QQZSPOOZXOYXDM-UHFFFAOYSA-N	419.909	5.955	30	20	HKED	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727727847	KMYMKJNDRJWEII-OFVILXPXSA-N	421.541	5.364	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1cccc2ccccc12	727954241	XNBWLZFVZYAEQA-URYZVYFESA-N	424.500	5.522	30	20	HKED	
CCc1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	727954517	QSQXKRINXKEHFO-BLLLJJGKSA-N	402.441	5.857	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1nc2ccccc2s1	730071395	LNVLZBLICPMMLR-OPAMFIHVSA-N	418.518	6.145	30	20	HKED	
Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2ccc(-c3ccccc3F)o2)c1	730564772	GGKKJDQMPYEWNN-UHFFFAOYSA-N	422.485	5.044	30	20	HKED	
COc1ccccc1C[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	730688470	XPQUSRCWATZROF-BEFAXECRSA-N	424.953	5.917	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3ccc(C)cc3C2=O)cs1	730948810	LUOOJEKARVUOAD-WJDWOHSUSA-N	408.910	5.612	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	731114301	NBIRSWLOJAFDMM-IBGZPJMESA-N	422.598	5.593	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2Sc2ccccc2)cc1	731958516	RJQCCRVKHGVPBE-UHFFFAOYSA-N	408.910	5.575	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCC(=O)c3c[nH]c4ccccc34)cc2)cc1	732377859	XWKKTWJFXSYKHA-UHFFFAOYSA-N	410.429	5.066	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1	733679518	JOXSBWMYQCYCQZ-PMUMKWKESA-N	416.880	5.107	30	20	HKED	
CN(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)n1	733680105	VKAAWZGCPZJIKA-CQSZACIVSA-N	417.321	5.068	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	738749874	SLVIKHGOOQEGRM-GOSISDBHSA-N	413.477	5.103	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(c2ccccc2)C(=S)N[C@@H]1c1scnc1C	743739684	YBSPFMSZPPNOJY-IBGZPJMESA-N	423.538	5.027	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc1	744027890	DVBFALWUHOWVOC-FFWXCITRSA-N	400.400	5.019	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	744027973	FVGCHOCAJLAFKG-GOSISDBHSA-N	403.507	5.224	30	20	HKED	
N#CCn1cc(Nc2nc(-c3ccsc3)nc3scc(-c4ccccc4)c23)cn1	748079112	OGUQFVAWJOCIMW-UHFFFAOYSA-N	414.519	5.550	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(OCC(F)F)cc2)cc1	748941013	HQMLVWUWPIOZGX-NRFANRHFSA-N	407.420	5.630	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccco2)nc2ccccc12	749360950	BGRUXOKNOPTOQL-UHFFFAOYSA-N	418.456	5.244	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccn3)s2)CCc2sc(Br)cc21	754687878	OBFAAWFIQLSXHS-YFHOEESVSA-N	403.326	5.242	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1	761654430	BZENGMQRPCEBHZ-LJQANCHMSA-N	415.877	5.354	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(CCC)Cc2ccccc2F)c1=S	764938214	DRNMBATYKLONGX-UHFFFAOYSA-N	411.550	5.061	30	20	HKED	
N#CC(CCN1CCC[C@@H]1C[C@@H](O)c1ccco1)(c1ccccc1)c1ccccc1	769726775	CFSXNLNIQYWBIB-DNQXCXABSA-N	400.522	5.067	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c1	772983414	KDZHRLKSGXVWJG-IERDGZPVSA-N	408.933	5.366	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1	772984343	NCUYKHXAHSWLOG-DYESRHJHSA-N	405.567	5.959	30	20	HKED	
COc1cc(C=NOCc2cccc(NC(=O)OC(C)(C)C)c2)cc(Cl)c1OC	775676989	FOWZBIMSUWDREU-UHFFFAOYSA-N	420.893	5.255	30	20	HKED	
CCOc1ccc(Oc2cc(CN[C@H](C)c3ccc(OCC#N)cc3)ccn2)cc1	776159962	YDBTWTLNTNZWOU-GOSISDBHSA-N	403.482	5.026	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2coc(-c3ccccc3Cl)n2)cc1	776517412	RAIQIBZRMPXYRC-RDTXWAMCSA-N	421.884	5.470	30	20	HKED	
CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1Oc1ccccc1C#N	778177135	FQJHONSCHLHNHL-KRWDZBQOSA-N	414.461	5.097	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1	779103925	GGTIPRKJCRUQTA-RCZVLFRGSA-N	404.485	5.394	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccccc1O[C@H](C)C#N	780166346	VSMHPXXUHPUNLY-GOSISDBHSA-N	421.500	5.682	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1	780676399	MWAGHDLNRBIGON-HNNXBMFYSA-N	415.946	5.419	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1	780676873	SEKJGWWQLWBDCO-SFHVURJKSA-N	412.493	5.236	30	20	HKED	
COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	783358116	XVMZESICVONCIS-GOSISDBHSA-N	424.909	5.311	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)n1	785554275	HQSDUSPHWTWAJE-FQEVSTJZSA-N	405.548	5.033	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N[C@@H](CCC#N)c3ccccc3)ccc21	793713126	KVAOXODKIKFWMM-NRFANRHFSA-N	419.525	5.149	30	20	HKED	
C=CC[C@@H](OC(=O)CCc1nc(O)c2ccccc2n1)c1ccc(Cl)c(Cl)c1	797554755	YBHGLPYRPLZTJL-GOSISDBHSA-N	417.292	5.435	30	20	HKED	
COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F	797614902	GGBLHDIYMYSXQR-MRXNPFEDSA-N	414.889	5.420	30	20	HKED	
CC(=C/c1ccccc1C(F)(F)F)/C=C/C(=O)c1ccc(N2CCC(O)CC2)cc1	799891749	CCVMWKLWXKSMQM-DJFOPYSZSA-N	415.455	5.509	30	20	HKED	
N#CC1(CCCOC(=O)c2ccccc2Cc2nc3ccccc3s2)CCOCC1	800102054	BZLNSNACXZZJTM-UHFFFAOYSA-N	420.534	5.144	30	20	HKED	
N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(/C=C3/Cc4ccc(C#N)cc4C3=O)cc1)C2	811696511	UCLOZEXNRIEIGD-RJVPWCEXSA-N	412.448	5.075	30	20	HKED	
O[C@H](c1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(F)(F)F	864042704	AWPFSNQVWKYDDB-CQSZACIVSA-N	417.271	5.932	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1	915086456	KYIIDXAUOICLHJ-QFIPXVFZSA-N	406.938	5.867	30	20	HKED	
Cc1cc(OCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1Cl	915106497	CAOQTOLWTMVEKP-HNNXBMFYSA-N	417.843	5.429	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(OC(F)F)cc2)cc1	915352815	NEWNLKHVRNQCMF-QFIPXVFZSA-N	421.447	5.308	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1	916882728	BLUWYRHBKGSDET-ZAFLOJKISA-N	406.841	5.015	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cccc(C)c3)c2)cc1	916913988	SZXWUWMZDWJRFU-XMMPIXPASA-N	412.489	5.098	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1	918775586	PYMXYCFMPPPWBQ-NRFANRHFSA-N	410.857	5.013	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3coc4cc(C)c(C)cc34)n2)cc1	920138789	JOYMGNZDIKREDT-FQEVSTJZSA-N	416.502	5.601	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)cc3Cl)n2)cc1	920141633	KTEYTNBSRBUYMQ-INIZCTEOSA-N	412.301	5.408	30	20	HKED	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)c(Cl)c1	1792234422	TTXQVCSOKFDNCW-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)[nH]n1	1819557844	YWDWMQPIVJJDCD-WIYYLYMNSA-N	422.573	5.198	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccncc1	6907794	NWAAWBZBKBNFKQ-IRXDYDNUSA-N	421.570	5.159	30	20	HKED	
N#CCSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl	9456811	MGSHCKYHYPNPHB-UVTDQMKNSA-N	422.724	5.647	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccccc1OC	10242800	WYUWCLKKIHASPV-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccc(OC)cc1	10405995	PQDFPLXVUVJJGB-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)cc1	11328873	XSMWFHXVOLIXST-UHFFFAOYSA-N	412.420	5.558	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1cccc(C)c1	20067895	HXKFFLNGPGLINX-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C(C)C)cc2)cc1	22728708	MDQHQUMUXSOGLS-UHFFFAOYSA-O	423.627	6.081	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)c12	23503252	TVXIZXIVYUDEJM-UHFFFAOYSA-N	409.445	5.304	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S	23840590	JDPPFYRFCPMIPF-UHFFFAOYSA-N	417.991	5.172	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccco1	28503204	PEBYQXPLMYZJTP-NRFANRHFSA-N	401.491	5.440	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1	32339974	GJNUNWDDFFURAT-QFIPXVFZSA-N	400.503	5.104	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)n1	41519798	MFDFCEWIDQFJPI-OAHLLOKOSA-N	412.927	5.304	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3cccnc3OC3CCCC3)c2)c1	60976142	IGARAROYAFBGPO-UHFFFAOYSA-N	413.521	5.143	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)ccc3OC(C)C)s2)cc1	65839635	IGRKVFSWPJZYIJ-UHFFFAOYSA-N	421.522	5.428	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1	65869900	PZTSBOBYYUDSTB-UHFFFAOYSA-N	413.521	5.067	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)c2)c1	107926034	NDEKSTWDSOSOBE-UXHICEINSA-N	402.416	5.444	30	20	HKED	
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1	116160677	XFPFOSFMCSNISO-GOTSBHOMSA-N	414.505	5.529	30	20	HKED	
CCN(C(=O)c1sc(COc2ccc(F)cc2)nc1C)[C@H](C)c1ccc(C#N)cc1	220107341	AIHOZIFRJPKAMN-MRXNPFEDSA-N	423.513	5.265	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1	301767973	YYIPTXRDWPQNSJ-CQSZACIVSA-N	400.912	5.364	30	20	HKED	
Cc1cc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2ccccc12	303263418	FRTIIIPXFSGHRX-OAHLLOKOSA-N	407.564	5.526	30	20	HKED	
CC(C)c1ccc(N2CC[C@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)C2=O)cc1	303848447	FGFIIZQZQGDJEP-YLJYHZDGSA-N	421.566	5.053	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1	410183516	BKNAJRJVZLQXPV-HNNXBMFYSA-N	405.420	5.140	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC	410360538	ARICAKZUHLTFEQ-KRWDZBQOSA-N	417.596	5.108	30	20	HKED	
CCc1cc(O)nc(-c2cccc(NC(=O)c3sc4ccc(C#N)cc4c3C)c2)n1	428170040	JCTGLAJRYIRSQX-UHFFFAOYSA-N	414.490	5.059	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)sc2nc(C(F)(F)F)ccc12	430584645	PIRQAFQHCUHXQC-NSHDSACASA-N	423.485	5.868	30	20	HKED	
CSC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	432766384	CEBZEUDFEZWQEA-MRXNPFEDSA-N	415.946	5.611	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1	433219062	IOSGXRLHZVBVML-UHFFFAOYSA-N	406.273	5.113	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1	435289154	MSJJDLIWDWEYPE-LJQANCHMSA-N	401.466	5.239	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)CC(F)F)cc2)cc1	437167772	UPFGNAJHADXTNI-UHFFFAOYSA-N	406.432	5.452	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	437549230	OEUWAWSHUPJRGR-UXHICEINSA-N	403.482	5.032	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H](CCC#N)c3ccccc3)s2)cc1	438842300	RILYVJSWSAMUHY-WIYYLYMNSA-N	418.566	5.832	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](CCC#N)c4ccccc4)cc3)o2)cc1	439680050	ZZVJVRIJILXEQC-QHCPKHFHSA-N	422.488	5.487	30	20	HKED	
N#CCC[C@H](NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1)c1ccccc1	440257185	PBLQIPNDFQJVEI-DEOSSOPVSA-N	416.500	5.020	30	20	HKED	
CCCc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	442671395	KVFIECOOVAAWAU-LBPRGKRZSA-N	422.362	6.016	30	20	HKED	
COc1cc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	445824426	FDLYIPHIJXBFMZ-HXUWFJFHSA-N	420.896	5.573	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)c3c(F)cc(C#N)cc3F)s2)cc1	446044625	OQIJNSGSGLYCAD-CQSZACIVSA-N	411.477	5.410	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCSc1ccccn1	446063204	PZBGEOJQQHYOOI-UHFFFAOYSA-N	405.498	5.116	30	20	HKED	
Cc1cc(C)c(Br)c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1	461106027	COYPKKKSYWZUQR-HNNXBMFYSA-N	411.221	5.079	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1	464141058	LFSCPTWZUKKJBG-UHFFFAOYSA-N	409.898	5.271	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(OCCC)c1	464414909	PURMOJPAOPQJDP-KRWDZBQOSA-N	406.404	5.168	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccccc2-c2ccccc2C#N)cc1	464894101	NOPYFXXMBPDENJ-BKMJKUGQSA-N	410.517	5.431	30	20	HKED	
CC(C)c1ccc(/C=C\CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	470841728	PKJXFVKJPFFTLT-WAYWQWQTSA-N	415.537	5.435	30	20	HKED	
N#CCCSc1ccccc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1	471685816	QCJRFXHWNLQXBK-UHFFFAOYSA-N	405.310	5.661	30	20	HKED	
C=CCc1cc(CNC(=O)c2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC	471800861	XYDPLFBNEHQAOJ-UHFFFAOYSA-N	413.823	5.035	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1Cc2ccccc2[C@@H](C(=O)OCC)C1	475565585	XDUXHWUFTNYWLP-QFIPXVFZSA-N	406.526	5.233	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Br)cc1C(C)C	479015763	LLKKZCRHEZICIY-UHFFFAOYSA-N	421.335	5.268	30	20	HKED	
O=C(CCOCC(F)(F)C(F)F)N1CCCC[C@H]1c1ccccc1C(F)(F)F	480047054	ILVAHZWCELZEKV-AWEZNQCLSA-N	415.349	5.066	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Oc4ccncc4)c3)cc2)nc1	482766164	XMEWSPLMTKUHGX-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1	483291921	CNGIHHVGJMHIBX-OAQYLSRUSA-N	403.448	5.007	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	483529592	INSMHPYNHOZCQG-UHFFFAOYSA-N	410.436	5.222	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)sc2nccn12	484390149	YNPPKXSPLSAVGJ-UHFFFAOYSA-N	408.870	5.274	30	20	HKED	
N#Cc1cccc(C2(NC(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)CC2)c1	484920994	XWNKHHFHPUEROX-HXUWFJFHSA-N	407.926	5.351	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	487157900	PJIMXRGVWCXPEL-HNNXBMFYSA-N	408.317	5.290	30	20	HKED	
CC(C)(CCC#N)CN[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	487994739	QPERBPYKPCPNGJ-IBGZPJMESA-N	403.448	5.305	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccccc1C	488882635	QMJKPRXCMDPOPM-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
C=C(C)Cn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1-c1ccncc1	489443546	CLDVXGHMZMFPPL-UHFFFAOYSA-N	423.929	5.517	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3occc3COc3cccc(C#N)c3)C2)cc1	489996738	YGBLBRNWOFBNKR-XMSQKQJNSA-N	400.478	5.057	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)on1	495431325	CCRBIMOFACIMFJ-HNNXBMFYSA-N	401.441	5.365	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)cc2)nc1	500591367	RIQQECBOTYGUCF-DHIUTWEWSA-N	407.473	5.206	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1	503469600	ZHTFTJJAUXUPML-UHFFFAOYSA-N	409.489	5.555	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1cc2ccccc2nc1O	503535387	JQAXRIPOKKZRHN-UHFFFAOYSA-N	423.472	5.484	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1F	505339723	WQYRCTJKPBJKDG-KRWDZBQOSA-N	422.287	5.112	30	20	HKED	
COc1ccccc1Nc1ccccc1C(=O)Nc1nc(C)c(SCC#N)s1	506121175	WSSXNXIKKOCOIS-UHFFFAOYSA-N	410.524	5.072	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2cccs2)C2CC2)cc1	508269087	STAGOBDFCVHJKM-QFIPXVFZSA-N	419.506	5.693	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cccc(C#N)c2C)c1	509132461	PAHKSEGVAUHTSO-IBGZPJMESA-N	411.505	5.229	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	510208245	HYAYGPGYOHTGSQ-OAHLLOKOSA-N	423.567	5.235	30	20	HKED	
Cc1nn(-c2ccccc2)cc1CNC(=O)c1ccccc1Sc1ccccc1C#N	510959245	CYFJRVKAGOZTKF-UHFFFAOYSA-N	424.529	5.134	30	20	HKED	
C=CCN(C(=O)c1csc(Cc2ccc(C)cc2)n1)c1nc2c(s1)CCCC2	511081718	OOIAPIXAJNAKCT-UHFFFAOYSA-N	409.580	5.210	30	20	HKED	
O=C(NCC#Cc1cccc(F)c1)c1ccccc1CSc1nc2ccccc2o1	513916434	HSZGTAZYFBGNCD-UHFFFAOYSA-N	416.477	5.041	30	20	HKED	
N#CCCCOc1cccc(NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1	515660624	PBJGDYOEQSVMBT-UHFFFAOYSA-N	411.811	5.092	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4[nH]c5ccccc5c4C3)c2)cc1	517125783	LJBQBFOYHASYMR-UHFFFAOYSA-N	408.461	5.422	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1	517531372	CFTQVMBJFIPHNF-KXBFYZLASA-N	415.946	5.340	30	20	HKED	
Cn1c([C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)nc2ccccc21	518472849	BTIIXPGNXVBETI-QHCPKHFHSA-N	423.520	5.286	30	20	HKED	
CC(C)N(C)Cc1ccccc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	519452275	WPTOWXJFKPGSOW-SFHVURJKSA-N	410.587	5.100	30	20	HKED	
CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H]1CCOC(C)(C)C1	519673254	VIZYKBMXNUZIDT-NRFANRHFSA-N	421.541	5.257	30	20	HKED	
CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	520141795	ARWUAHPNDSKZKQ-QGZVFWFLSA-N	418.518	5.214	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2)nc1	520323537	JOIQIKUQUNXNND-UHFFFAOYSA-N	409.445	5.181	30	20	HKED	
N#CCSCC(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl	521110652	SDFWSSDAFYHZAN-UHFFFAOYSA-N	401.702	5.634	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1	522640395	GCRDEHPSERNANV-UHFFFAOYSA-N	407.882	5.752	30	20	HKED	
C[C@H](Cc1ccsc1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	523202582	UIQIYVQKWMCHGY-QGZVFWFLSA-N	407.514	5.102	30	20	HKED	
CC(C)[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1Cl	523764413	VIGYDTSZQYCVLI-JOCHJYFZSA-N	411.933	5.162	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C1	524200353	HKUBOJQZPXSSHG-ZUOKHONESA-N	406.313	5.170	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	536568063	YOAFEAGHUNYGTF-MWTRTKDXSA-N	420.509	5.355	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N(CCC(F)(F)F)CC2CC2)cc1	538111161	ZCBRTLNZQKLMJD-UHFFFAOYSA-N	401.432	5.099	30	20	HKED	
C=CCCC[C@@H](C)NCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1	538451105	CFMDRPFTRDBVPB-CQSZACIVSA-N	411.493	5.681	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1Cl	539313524	BUTPDPVVATUFNZ-KGLIPLIRSA-N	422.381	5.534	30	20	HKED	
C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-c2cccc(C#N)c2)cc1	542945251	NTIFYTIIVQIYFQ-MRXNPFEDSA-N	414.896	5.779	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(-n4ncc5ccccc54)cc3)CC2)cc1	543310193	QAGPAMVMNZNRLM-UHFFFAOYSA-N	419.488	5.218	30	20	HKED	
COc1ccc(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)s2)cc1	543365524	YNKOOXRLBHCYGR-UHFFFAOYSA-N	417.534	5.170	30	20	HKED	
C[C@@H](NC(=O)c1cc(O)nc2ccc(F)cc12)c1ccc(-c2cccc(C#N)c2)cc1	543856905	OWEUXXOUQIGEOQ-OAHLLOKOSA-N	411.436	5.109	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	543886489	RCXXZBIBWNTNQI-XOBRGWDASA-N	423.879	5.151	30	20	HKED	
FC(F)(F)c1cc([C@H](NCc2nccs2)C(F)(F)F)cc(C(F)(F)F)c1	543981231	KTQWQRHVYNVBCH-NSHDSACASA-N	408.289	5.574	30	20	HKED	
COCCOc1ccc(C#N)cc1N[C@H](C)c1sc(Cc2ccccc2)nc1C	544374308	HEEAPOLPZXFEHC-MRXNPFEDSA-N	407.539	5.112	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)s1	544746017	KTVIAGNNBMKSAX-NSHDSACASA-N	422.316	5.882	30	20	HKED	
COC1(c2noc(-c3sc(-c4ccc(OCC(C)C)c(C#N)c4)nc3C)n2)CCC1	545810262	HEEFFTHVORRDBF-UHFFFAOYSA-N	424.526	5.101	30	20	HKED	
O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	552211738	BRZKXBXJHGALFA-CHWSQXEVSA-N	411.361	5.471	30	20	HKED	
Cc1ccccc1Cn1c(NC(=O)c2cc(C#N)ccc2Cl)nc2ccccc21	552394680	AMAVTGAUDMSASX-UHFFFAOYSA-N	400.869	5.170	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	553121084	LBJIUPRCWYRXBK-RTBURBONSA-N	405.464	5.191	30	20	HKED	
C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@H]1C	564624258	UNUAAIQURFQCHK-LJQANCHMSA-N	402.542	5.070	30	20	HKED	
CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F	574479236	PFVAUEMFJFSZKT-OAHLLOKOSA-N	413.861	5.051	30	20	HKED	
N#CCCN(C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1	575032688	YOYMOJVMSITTIA-UHFFFAOYSA-N	400.453	5.402	30	20	HKED	
N#CCn1c(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc2ccccc21	586834685	VRLXANUADOVSPM-UHFFFAOYSA-N	411.530	5.036	30	20	HKED	
COc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)c2c[nH]c3ccccc23)cc1	603650922	NKQYNXKTXQFIPQ-QHCPKHFHSA-N	424.504	5.196	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Cc1cccc(F)c1	609060502	GJEMECKBWBLPRA-GOSISDBHSA-N	402.469	5.402	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2ccccc2n1CC#N	609167065	TZJVGNNBSZDGBE-UHFFFAOYSA-N	406.445	5.390	30	20	HKED	
N#Cc1ccccc1/C=C\c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	609475555	ISRVCXPCJOPWPM-YPKPFQOOSA-N	403.445	5.177	30	20	HKED	
CC(C)CC[C@](C)(O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610141396	DVYGUTQQAFMSBU-REWPJTCUSA-N	413.949	5.304	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1	610166706	KDWHUNIKYMXFJQ-GOSISDBHSA-N	408.571	5.355	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	610166732	MIQMFOJRMOMFHU-SFHVURJKSA-N	408.571	5.498	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C)c1cccc(C#N)c1	610361593	HJDQLPMXEBBGGP-NSHDSACASA-N	400.265	5.320	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	642636598	SNLDDUXUWFVCDH-UXCLJVHYSA-N	418.328	5.235	30	20	HKED	
O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	669904329	OEOZFUKQCRJWJW-GFCCVEGCSA-N	401.297	5.178	30	20	HKED	
C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1	675739168	UYKJXMBVHFBGMD-MVWJERBFSA-N	405.329	5.848	30	20	HKED	
N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccc2ccccc2n1	726319152	ZUQSNSZHGPAYIW-LZBANZJXSA-N	417.553	5.056	30	20	HKED	
C#Cc1cccc(NC(=S)N(CCC)[C@H](C)c2ccccc2Br)c1	726475314	REJGBUDBMOPVIM-OAHLLOKOSA-N	401.373	5.600	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1	728479039	CUJIQBWURMCRBH-UHFFFAOYSA-N	402.542	5.266	30	20	HKED	
C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1cccc(NC(=O)c2ccccc2)c1	729767086	UQKWZCHOSGESOR-SFHVURJKSA-N	423.472	5.335	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3cccc(OC(F)(F)F)c3)c(Cl)nc21	730949487	XAPMHZJAGXXCDO-VOTSOKGWSA-N	409.795	5.460	30	20	HKED	
N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2ccccc2[nH]1	731136947	YIBPMXOOYUQYAR-HNNXBMFYSA-N	414.328	5.074	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)NCCc1ccc(Cl)cc1Cl	731321275	PVYAAOYWFMEMKO-CYBMUJFWSA-N	424.422	5.917	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOc3ccc(F)cc32)cc1	731752449	GPLOBPSBLNKCOQ-YADHBBJMSA-N	401.441	5.126	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)c1nc2ccccc2s1	731768822	RVKDZGHBLSAFBS-IENJSVCTSA-N	413.502	5.523	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	732496507	XCOXVRGNNOIMDC-KBXCAEBGSA-N	412.967	6.068	30	20	HKED	
N#CCOc1ccc(COC(=O)CCN2c3ccccc3Sc3ccccc32)cc1	733382242	NNRRZZXDGSPSFY-UHFFFAOYSA-N	416.502	5.325	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1	733771996	VHVZHWZYDZPKCO-FQEVSTJZSA-N	406.432	5.243	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c(C)n1-c1ccc(C#N)cc1	733782189	RGXLIBMISDAXIS-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3csc(C)n3)cc2)c1	733843424	OWPHHZHJRLCKCX-IBGZPJMESA-N	406.511	5.121	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1	734082121	XIRPSGLWUXKFRC-QGZVFWFLSA-N	420.494	5.042	30	20	HKED	
COc1ccc(OCc2nc(/C=C/C(=O)c3c[nH]c4ccc(OC)cc34)cs2)cc1	734306564	GNCIYQQWSTYZLC-XCVCLJGOSA-N	420.490	5.117	30	20	HKED	
CCCCCCCCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1	734778986	BGNPOMVDYHDBRF-UHFFFAOYSA-N	423.344	5.725	30	20	HKED	
CCCCCCCC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	735014650	AFARVXMPDXMFRO-UHFFFAOYSA-N	408.329	5.940	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CSc3cccc4cccc(Cl)c34)[nH]c12	735793627	WOMGMDDXBRVDJB-OAHLLOKOSA-N	405.910	5.647	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1Cl)c1ccncc1	740481510	YOFSYSABMPNIRE-PKTZIBPZSA-N	421.928	5.450	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1ncc(-c2ccccc2Br)o1	742350897	GBIAGTMDGVTLKF-UHFFFAOYSA-N	423.213	5.256	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S	745437251	BWAZWKOPTKSNAQ-UHFFFAOYSA-N	411.962	5.305	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccoc1C	745956472	BHYJWBQRKKULTG-OAHLLOKOSA-N	407.499	5.244	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2c(F)cccc2C1	757883421	REMPLTAFQOBFOH-UHFFFAOYSA-N	415.468	5.175	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl	764300987	ACQLELSJZLUFAU-UHFFFAOYSA-N	413.842	5.109	30	20	HKED	
N#Cc1cc(NC(=O)CCc2ccc(-c3ccccc3F)o2)c(Cl)c([N+](=O)[O-])c1	764311177	OCQSHWHZHDZRRG-UHFFFAOYSA-N	413.792	5.090	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cccc(C=NNCc3cnc4ccccc4c3)c21	764790256	ZNFZAIUDWKNQHY-UHFFFAOYSA-N	416.525	5.046	30	20	HKED	
CC(=O)Nc1ccc(C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F	764839099	FHGYKKSYCJBQIG-OAHLLOKOSA-N	423.284	5.263	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(C)Cc2c(Cl)cccc2Cl)c1=S	764933040	NHOBOCZCUMOEIL-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
CC(C)(C)CN(CCC#N)Cn1nc(-c2cccs2)n(Cc2ccco2)c1=S	764976200	NUNIWACQLCXQOD-UHFFFAOYSA-N	415.588	5.003	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(-c3cccnc3)c2)cc1	767584725	POYGKOBWAJOXDK-AREMUKBSSA-N	418.500	5.726	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccn2)n1)c1nc(-c2ccc(Cl)cc2)cs1	768780786	BWCWZLOBUFMPLT-CQSZACIVSA-N	422.922	5.472	30	20	HKED	
Fc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc(C(F)(F)F)c1	772838063	CUWGHAAAJGPNPE-UHFFFAOYSA-N	414.815	5.264	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc2nc(Cl)sc2c1	772864691	OOCSXCJEUICAIO-LLVKDONJSA-N	423.972	5.145	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)[C@@H](C)c2nc3ccccc3s2)ccc1OC	772979045	KFOPDJCBDVGXHW-JFIYKMOQSA-N	409.555	5.268	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2O[C@H](C)C#N)oc2c(C)cc(Br)cc12	777781102	NTIXKMWWDNAFLT-GFCCVEGCSA-N	413.271	5.355	30	20	HKED	
Cc1ccc(-n2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c(-c3ccccc3)n2)cc1	780161255	ULKFJMMUMLPGBI-LJQANCHMSA-N	422.488	5.391	30	20	HKED	
CC1(C#N)CCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1	780780227	MCQKOIQXJUVATI-UHFFFAOYSA-N	407.564	5.354	30	20	HKED	
CC1(C#N)CCN(C(=O)NCCCN2c3ccccc3Sc3ccccc32)CC1	780821276	SHJVCNAAANUAJZ-UHFFFAOYSA-N	406.555	5.015	30	20	HKED	
Cc1cnc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	787448065	IXTMULPVBNOKEA-UHFFFAOYSA-N	408.864	5.289	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1=S	789475889	BEYSBTOJLVDRTL-APWZRJJASA-N	423.413	5.049	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1	789720528	NNYJDLKTEXMSOS-UHFFFAOYSA-N	411.445	5.084	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2CCC2)cc1	791771278	HTYSVJLWSYWMDA-SFHVURJKSA-N	400.450	5.230	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nccc2ccccc12	792105951	OIYKQGWKIWZNEG-XMMPIXPASA-N	408.457	5.069	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C\c3cnc(-c4ccccc4OC)nc3)oc12	792866150	LCXCREQPWBTWGD-QXMHVHEDSA-N	400.434	5.193	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1=S	794654544	CVMYGDPKKURJCE-IUODEOHRSA-N	416.900	5.151	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)c1	796746832	PDDLLOJHPVKRRB-KRWDZBQOSA-N	424.909	5.428	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCO2	796761820	HNZJRGNQBAMOQJ-WBMJQRKESA-N	410.882	5.172	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Nc1ccc(NC(=O)CC(F)(F)F)cc1	804698204	TWDRMFOYJLBFLR-UHFFFAOYSA-N	424.304	5.158	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1	809432243	HBQULCNMRCFKDM-UHFFFAOYSA-N	418.497	5.476	30	20	HKED	
C#Cc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	810533068	ULAWYWIAMGOOIT-KRWDZBQOSA-N	411.313	5.517	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2s1)c1csc(-c2ccccc2F)n1	815899496	SRFZBWUIHCLUER-AWEZNQCLSA-N	421.522	5.713	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1	915087510	UOMUHSWVXFTVBA-SFHVURJKSA-N	411.288	5.666	30	20	HKED	
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915087568	VIGBWLALQVBOIS-QFIPXVFZSA-N	404.897	5.792	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2c(s1)-c1ccccc1CC2	916883972	XCGFDXNTLZQDHN-SFHVURJKSA-N	406.894	5.128	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1Cc1ccccc1	917043012	FSLHGTGGUUALIT-IBGZPJMESA-N	419.937	5.906	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc2cc(Cl)ccc2s1	917045400	ZCAYSROGGIENIU-CQSZACIVSA-N	416.980	5.918	30	20	HKED	
CCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1	917559882	OGEHPKDZNMXWIU-MDWZMJQESA-N	424.497	5.652	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccsc3)CCC2)cc1	1791728721	ASUOKRBBYVLGAS-MDWZMJQESA-N	406.551	5.089	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822958907	YPHWOSSSWNFEFP-BAMNPNLJSA-N	424.589	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@H]2C)CC1	1828482849	NKHFYGFENFMJKG-HJNYFJLDSA-N	402.623	5.035	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1	6071519	QLGFZHOLOBTLOV-UHFFFAOYSA-N	408.914	5.732	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1	7917201	WZJHWSDCUXEMGB-UHFFFAOYSA-N	423.607	5.393	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1	11089480	RCRVPYMEIWRXMT-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)nnc1C1CC1	20972574	CIDMTNWFYPRTLC-JOCHJYFZSA-N	403.551	5.675	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12	21861070	MYRFUZTVOCWQEV-MRXNPFEDSA-N	409.530	5.341	30	20	HKED	
C=CCn1c(SCc2nc(C(C)C)no2)nc2scc(-c3ccccc3)c2c1=O	29145461	CBCGDXNCKHRFLQ-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1	48117567	AGRBKZOQQRUBCZ-UHFFFAOYSA-N	413.521	5.112	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1Oc1cccnc1)c1nc2ccccc2n1C(F)F	52367917	GENUHILHXOBODF-MRXNPFEDSA-N	404.376	5.109	30	20	HKED	
C=C(C)COc1cc(CNCc2ccc(Oc3cccnc3)c(F)c2)ccc1OC	60949268	JZZCFQMPLKKPDQ-UHFFFAOYSA-N	408.473	5.266	30	20	HKED	
Cn1cc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc21	65852064	KGEHVSIJEPKESA-UHFFFAOYSA-N	409.489	5.005	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCCc4ccccc43)c2)c1	71944197	RVJKPCVLEHGSOL-QHCPKHFHSA-N	410.477	5.010	30	20	HKED	
CCOC(=O)c1c(CN(CC)C[C@H](C)C#N)nc2ccccc2c1-c1ccccc1	108975760	KNUDWXOYIBSKAP-GOSISDBHSA-N	401.510	5.060	30	20	HKED	
Cc1ccccc1OCCCC(=O)Nc1ccc(CNCc2cc(C#N)cs2)cc1	237554658	KNOYJBWDUSLHMT-UHFFFAOYSA-N	419.550	5.016	30	20	HKED	
COC(=O)c1ccc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	255949053	BPIJQQQMOGJIMI-UHFFFAOYSA-N	416.502	5.198	30	20	HKED	
CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1C	303588430	LVOPCEHHPFLKOB-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3CC(F)(F)F)c2)c1	304119212	ZVTAYGYPHJKOLJ-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2Br)ccc1Cl	322306984	AXOFIDMLQHEMLE-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)oc2c(C)cc(Br)cc12	426497495	DHOOLPQRBOSLEW-AWEZNQCLSA-N	409.239	5.443	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2cccc(OCCCC#N)c2)c1-c1ccccc1	428229613	NMRRORSBVYOXBT-UHFFFAOYSA-N	402.498	5.141	30	20	HKED	
CN(Cc1cccc(Cl)c1Cl)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428336193	BTHDWHUIEPCFKX-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1	432757130	KRXGQWNYUPXDTA-XMMPIXPASA-N	410.477	5.907	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCCc3cc4ccccc4[nH]3)c2)cc1	433989281	DFDZZKLOALTUIH-UHFFFAOYSA-N	424.504	5.177	30	20	HKED	
O=C(NCc1cccc(F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	435857177	RJPUFSZBEQOADC-OAHLLOKOSA-N	408.317	5.337	30	20	HKED	
CN(Cc1csc(Br)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438638188	RHHVXVJCJAVFHH-UHFFFAOYSA-N	418.238	5.065	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCCC[C@H]3c3ccccc3C(F)(F)F)o2)cc1	439796696	VPMNAGGAORLITH-IBGZPJMESA-N	412.415	5.354	30	20	HKED	
CCC[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nnc2ccccn12	444673212	GXWYOWDGMFHJMV-QHCPKHFHSA-N	409.537	5.060	30	20	HKED	
Fc1cc(CN(CCC(F)(F)F)CC(F)(F)F)ccc1OCC(F)(F)F	448376452	PVBMTOQDNAVGHI-UHFFFAOYSA-N	401.244	5.084	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)[C@H](C)c3cccc(C#N)c3)s2)cc1	462117979	AWEBTRHHYSCBSY-SJLPKXTDSA-N	403.551	5.622	30	20	HKED	
C[C@H](c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2OC(F)F)no1	463051095	HVVWPGIFEISDGM-SNVBAGLBSA-N	420.213	5.124	30	20	HKED	
CN(C(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	464025629	XEMQFACGZNNWAI-OCCSQVGLSA-N	400.338	5.107	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccc(C#N)cc1	465650677	DVFJOOVEQRLIBB-OAHLLOKOSA-N	407.420	5.189	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1c(F)cccc1F)C1CCCC1	466610502	XYLSKONPYXXQBC-UHFFFAOYSA-N	414.456	5.019	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(CCO)CCCC2)cc1Cl	467610755	NKDSIKSQLWRJNO-FQEVSTJZSA-N	411.933	5.060	30	20	HKED	
Cc1cccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1Br	470362943	MHRLCSIDAGMPNP-ZDUSSCGKSA-N	418.360	5.331	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2(C)CCC(OC)CC2)cc1	471291051	BIKOZZXCFAQLOK-UHFFFAOYSA-N	423.513	5.076	30	20	HKED	
Cc1cc(CN(C)C(=O)C[C@@H](CC#N)c2ccccc2)cc(C)c1OCC(F)(F)F	475017598	OWMWCQVJHBMRKE-HXUWFJFHSA-N	418.459	5.291	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	479599176	NOKGHSCBNMPQAR-FQEVSTJZSA-N	414.530	5.348	30	20	HKED	
Cc1cccc(C)c1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	480795552	NGHVJQDUYXSCTE-HXUWFJFHSA-N	417.896	5.190	30	20	HKED	
C=C(C)CN(CC)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	481200176	PJCWENKKQWYJFT-XYUDRNGQSA-N	411.430	5.533	30	20	HKED	
CCN(Cc1ccc(OC)cc1OC)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	482405675	DGKWKSBRDNDAFG-UHFFFAOYSA-N	416.477	5.030	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3ccc4ccccc4n3)c2)cc1	485784422	JWXLSKXCCVQTQO-UHFFFAOYSA-N	421.500	5.451	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1	486202333	BZHUJPQOVLMCDI-QGZVFWFLSA-N	417.534	5.103	30	20	HKED	
COc1cc(SC)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	487498545	KQYIFYZGVPXEGL-UHFFFAOYSA-N	404.491	5.120	30	20	HKED	
C=CCC[C@@H](C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	487570964	IXYQGYHHANJRNV-GOSISDBHSA-N	418.459	5.242	30	20	HKED	
COc1ccc(CCCN(C)C(=O)c2ccccc2Sc2ccccc2C#N)cc1	490766212	ADMFMPJAYFYACG-UHFFFAOYSA-N	416.546	5.423	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2sccc2C#N)cc1	497991449	XQDOIECRMFWJTD-UHFFFAOYSA-N	403.507	5.422	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C(C)C	499208749	CGRNRMMXLIIEFJ-UHFFFAOYSA-N	423.439	5.119	30	20	HKED	
N#CC1(CCCOc2ccc(Oc3ccc(Br)cn3)cc2)CCOCC1	499992261	XPJCVFQSMNHLSY-UHFFFAOYSA-N	417.303	5.116	30	20	HKED	
COc1cc(C#N)ccc1CS[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1	500845718	FENYLBDAHIBUHP-GFCCVEGCSA-N	423.519	5.532	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	501552076	HZIBCSOYVGFTFT-INIZCTEOSA-N	401.860	5.439	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1	505004506	DLFBCNHGGKFNAA-QHCPKHFHSA-N	419.569	5.112	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CCC[C@]12CCCCO2	505839965	VNFYUCUKUXUNEX-SIKLNZKXSA-N	423.563	5.092	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	506631198	CIMCOVSFCOWXMO-ZDUSSCGKSA-N	424.888	5.534	30	20	HKED	
CN(CCOc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510007518	VTVQYLRLMCAEJJ-QFIPXVFZSA-N	419.912	5.538	30	20	HKED	
C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510023650	OBLDBNIUOPRTDG-HTAPYJJXSA-N	403.913	6.220	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc2ccccc2s1	510740150	VLYSTGJPYMDIHK-UHFFFAOYSA-N	414.490	5.590	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cc(Br)ccc2n1	510780723	LBUQVENUTCOVTH-UHFFFAOYSA-N	408.299	5.359	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	517335231	JZSKPJKZDRSRFV-RPWUZVMVSA-N	412.489	5.197	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(C(C)(C)C)n1	517450382	ATKGWLCPFQFNHN-AWEZNQCLSA-N	419.641	5.707	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1N[C@@H](C(=O)NC1CC1)c1ccccc1	518147835	VQBHCSVNCBCKPI-LJQANCHMSA-N	419.472	5.143	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1	519250144	YXKQLLFXCYNFLI-UHFFFAOYSA-N	422.550	5.694	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)c1cccc(Cl)c1Cl	519485374	WYPQGBAQWVSWMT-CYBMUJFWSA-N	423.097	5.232	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1cc(Cl)ccc1F	519996686	WUJQGDCCHRQJIY-AWEZNQCLSA-N	409.848	5.582	30	20	HKED	
Cc1sc(NC(=O)CCOc2ccc(Cl)cc2Br)c(C#N)c1C	520691487	XCEMQJUEPMTUFM-UHFFFAOYSA-N	413.724	5.060	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2cc(Br)cs2)cc1	521293193	ILHZVOYRFSIESD-KRWDZBQOSA-N	405.361	5.122	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)cc2)c1	521810858	HKTHTOJCSPQYNH-DEOSSOPVSA-N	409.445	5.855	30	20	HKED	
CCN(C(=O)Nc1ccc(Br)cc1Cl)[C@@H](C)c1ccc(C#N)cc1	525778323	GPVZZFRPPMQGBF-LBPRGKRZSA-N	406.711	5.589	30	20	HKED	
COC[C@H](C)n1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	527082192	RPZYDHAIOHEBNR-HNAYVOBHSA-N	423.904	5.043	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	535175896	VKJGQEQJKJDNIW-MRXNPFEDSA-N	423.538	5.452	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cccc1-c1ccccn1	535876071	LCBRRLXQDKKECL-UHFFFAOYSA-N	409.411	5.133	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC12CCC2	538947900	IELMBVAEDQNIKC-IBGZPJMESA-N	403.526	5.376	30	20	HKED	
COc1ccc([C@@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1F	539241487	DCFSNZCIWZSVOX-QGZVFWFLSA-N	420.484	5.144	30	20	HKED	
Cc1cc(NC(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)nn1CCC#N	539718547	VBZALYOXIKLCBH-MRXNPFEDSA-N	407.905	5.308	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1	540194174	CMPOXKYJDZRJDM-UHFFFAOYSA-N	407.473	5.048	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541075500	CWTPAJSTUTZCBT-RTBURBONSA-N	413.521	5.302	30	20	HKED	
Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	543288217	IFBUZDCJKFVQMB-UHFFFAOYSA-N	422.916	5.303	30	20	HKED	
Cc1c(C(=O)N2CCC(CN(C)Cc3ccccc3)CC2)sc2ccc(C#N)cc12	550179052	HVVQRHQZGXIERP-UHFFFAOYSA-N	417.578	5.066	30	20	HKED	
CC(C)(C(=O)N1CCC([C@H](F)c2ccccc2F)CC1)c1cc(F)cc(C#N)c1	553143164	ZTRFQXRVAWCATL-NRFANRHFSA-N	400.444	5.063	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	555882087	DTTRRCCVQGSUTK-KRWDZBQOSA-N	419.506	5.262	30	20	HKED	
CCCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)co1	558902574	RIUNKTWPLRMTCF-GFCCVEGCSA-N	406.294	5.547	30	20	HKED	
COc1ccc([C@@H](CCC#N)NCc2ccc(Oc3ccccc3F)c(F)c2)cc1	559984274	FCPNPFXSYAIBAS-JOCHJYFZSA-N	408.448	5.900	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1	567315166	FGHVFFDAXCBJGS-DHIUTWEWSA-N	417.509	5.224	30	20	HKED	
C=CCN(C(=O)c1ccc(Cl)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603459214	BACJZEATYULRFW-UHFFFAOYSA-N	405.888	5.266	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccc(F)cc2)o1	603530256	BWUSUJQJGCHXGY-UHFFFAOYSA-N	406.457	5.168	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)cn2)c1	603692959	QPNZMXRHPFUWOY-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccc(Br)cc1	603968434	REWCNCHHYQCZLM-UHFFFAOYSA-N	413.296	5.067	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)sc2ccc(F)cc12	604335885	CMUSLGXIFWSJIT-UHFFFAOYSA-N	403.438	5.660	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)cs1	605362973	BOGOPRAFJCVTED-GOSISDBHSA-N	418.547	5.419	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)o2)cc1	609069911	LMNKHUMOFNFFCJ-UHFFFAOYSA-N	423.472	5.141	30	20	HKED	
CN(C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1ccc(C#N)cc1F	609216386	IWCUWWYVRULRRJ-UHFFFAOYSA-N	405.281	6.009	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(Br)cc1	609370938	KSVHQNGQZSOBKN-CYBMUJFWSA-N	421.385	5.574	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	609388087	ZYUBFJFLNJOFIM-OLZOCXBDSA-N	408.354	5.684	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@H](CC)c1ccccc1	609637148	APPCEKKTFOVRFG-JOCHJYFZSA-N	421.541	5.064	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	609662369	XUNPHONKYUQAHJ-UHFFFAOYSA-N	408.468	5.428	30	20	HKED	
C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(F)c1	609694720	ZMZIEJUJGXAJDD-SFHVURJKSA-N	404.460	5.559	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1ccc(C#N)cn1	610235207	MHWTXSCEXQXHDU-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(Br)cc1Br	610829718	GOEARSDTMIOCFI-NEPJUHHUSA-N	408.137	5.495	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(Cl)c1	611093437	SYHCPFDNUBAAOV-CYBMUJFWSA-N	400.265	5.026	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(C(C)(C)C#N)cc3)s2)cc1	614185232	YSEQQJIINUDLST-INIZCTEOSA-N	405.567	5.779	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1	615002043	UMKKXWILJDRZEQ-LBPRGKRZSA-N	409.338	5.029	30	20	HKED	
Cc1csc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1Br	616923262	UXDRKQGAOPIXRX-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#CCn1c(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cc2ccccc21	617983044	PLHRSPCSYXOGTD-UHFFFAOYSA-N	420.310	5.009	30	20	HKED	
N#Cc1ccc(CNC(=O)CCSc2ccnc3cc(Cl)ccc23)cc1Cl	619767473	YPVOXWIUBCBOEG-UHFFFAOYSA-N	416.333	5.212	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12	620593426	KQHNQZZPBBRYNK-UHFFFAOYSA-N	409.433	5.067	30	20	HKED	
C=CCC[C@H](C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccccc1	681658469	OHOQUKWWFBYNIL-QFIPXVFZSA-N	401.510	5.193	30	20	HKED	
Cc1ccnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1	683021656	HNWQWUZVCUCVGW-AWEZNQCLSA-N	416.287	5.821	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684254237	YPBOHQMDINXGMP-FVQHAEBGSA-N	422.413	5.684	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)CCCCCc2cc(-c3ccccc3)no2)c1	726490502	ZXTVYFWVLZKLGW-UHFFFAOYSA-N	403.551	5.365	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(OCc3cccc(Cl)c3)cc2C)c1	727978615	JUFPQILMYDVAAV-UHFFFAOYSA-N	406.938	6.018	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1	728298125	AXNQGYWVSALUKV-SFHVURJKSA-N	417.484	5.332	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1	728466375	SITUKIVSUYXAJF-VXKWHMMOSA-N	408.423	6.017	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1	729347145	NAKQRWCCMKLFSC-JOCHJYFZSA-N	421.541	5.288	30	20	HKED	
CN(Cc1ccc(C#N)cc1)Cn1cc(-c2ccccc2)n(CC(F)(F)F)c1=S	729462210	ADUUBCTYVJEJKR-UHFFFAOYSA-N	416.472	5.210	30	20	HKED	
Cc1oc2c(CN(CCC#N)CC(C)(C)C)c(O)ccc2c(=O)c1-c1ccccc1	729468206	PLTQXCCITKKBNX-UHFFFAOYSA-N	404.510	5.236	30	20	HKED	
COc1ccccc1C[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	730688473	XPQUSRCWATZROF-DNVCBOLYSA-N	424.953	5.917	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)OCc2csc(-c3ccc(F)cc3)n2)c1	732398285	DHWSXIQFIDOALO-UHFFFAOYSA-N	410.470	5.113	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	733034561	ZQPXPJORLALMAY-AUUYWEPGSA-N	401.482	5.586	30	20	HKED	
C[C@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C2CC2)no1	735165810	QYWSFPVKOZLKPE-LBPRGKRZSA-N	409.829	5.182	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)n1cccc1	735207941	UPRIQAWQMDKRDW-DOMZBBRYSA-N	404.322	5.746	30	20	HKED	
COCCn1c(SCc2cc(Cl)ccc2OCC#N)nc2cc(Cl)ccc21	735230127	CTWKQCBIIDMQRE-UHFFFAOYSA-N	422.337	5.184	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C/c1csc(-c2ccc(Cl)cc2)n1	741841555	LZPISOSHKJSKHO-MDZDMXLPSA-N	417.889	5.524	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744028487	LDKFTBXQJMPLHI-ZDRDQBANSA-N	422.406	5.609	30	20	HKED	
C=C(Br)CNC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1	745782411	ZCIZZDFMQUYOIR-UHFFFAOYSA-N	405.258	5.068	30	20	HKED	
N#Cc1csc(/C=C2\SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)c1	748661827	NWTNMJVVELEEPD-NVNXTCNLSA-N	423.009	5.267	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1csc2ccccc12	756232865	HKISPXQVKLZMBA-NRFANRHFSA-N	418.562	5.696	30	20	HKED	
CCOc1ccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1	761084867	IOMNBXWLXXVASW-UHFFFAOYSA-N	419.550	5.154	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cs1	763289831	NXBCWIGJYQGSFY-CCULFSDZSA-N	414.530	5.836	30	20	HKED	
N#Cc1cc(NC(=O)C2(c3c(Cl)cccc3Cl)CC2)c(Cl)c([N+](=O)[O-])c1	764305638	KRLGEKGXDMCWFY-UHFFFAOYSA-N	410.644	5.097	30	20	HKED	
CCSc1cccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1	769778724	VESLJLMPFGWYAR-UHFFFAOYSA-N	405.548	5.428	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccc(C)cc2)cc1	780671238	VMIUOFVNSLEAIB-MHECFPHRSA-N	415.493	5.206	30	20	HKED	
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCCCC(C)(C)C#N	781821994	BUDHZLNQXLGOBR-QGZVFWFLSA-N	413.345	5.011	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(Br)cnc1Cl	787956324	VNXPQMUTDOVGRE-UHFFFAOYSA-N	412.674	5.288	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3ncc(C(F)(F)F)s3)s2)cc1	788356849	WLQUYYGRVIQXIP-BQYQJAHWSA-N	410.442	5.499	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2c(cccc2N2CCOC2=O)C1	789449237	FEWIJXSTSUFYBZ-UHFFFAOYSA-N	419.525	5.085	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1	793584679	GXRQXWSVEUGLBY-PXNSSMCTSA-N	407.514	5.298	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	805859962	WKSAJLIIJTWNGO-SCLBCKFNSA-N	405.910	5.553	30	20	HKED	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C/C(=O)c1ccc(S(C)(=O)=O)c(F)c1	806573516	LQTSFJSXSUBPJQ-DEOSACLMSA-N	412.404	5.090	30	20	HKED	
Cc1csc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c1C#N	809005064	KLAMVONCJNIVRV-UHFFFAOYSA-N	411.733	5.811	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)c1	810330070	LRYMHXLAOVDNIL-UHFFFAOYSA-N	402.516	5.327	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4nc(C#N)cs4)nc(O)c23)cc1	811686706	GRPLAQKGHFNFOF-NSIKDUERSA-N	410.911	5.437	30	20	HKED	
CC(=NNc1ccc(Br)cn1)c1sc(-c2ccccc2F)nc1C	814832695	VAXVQEPTEMCJTA-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
C#Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)c2cccs2)c1	915743490	OVHZMWNJHOLGAS-SBUREZEXSA-N	416.546	5.087	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2cccnc2)n(CC=C)c1=S	916567674	GRXWNUAEZXVHID-UHFFFAOYSA-N	417.991	5.023	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1	916679473	PDYIMWVFDWQBQE-RPBOFIJWSA-N	413.496	5.720	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)NCc1ccccc1	916885840	BTMDMHQWRUQVDW-RDELFYGPSA-N	420.921	5.107	30	20	HKED	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)n2)c(C)c1	917845826	CNUYSNYCNIABAM-UHFFFAOYSA-N	417.943	5.061	30	20	HKED	
CC(C)CN(C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1	919998851	NDOMUGSTTMRUAK-UHFFFAOYSA-N	412.415	5.066	30	20	HKED	
N#CCCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(F)cc1	920968600	UYLACALNEGNUEH-UHFFFAOYSA-N	401.466	5.663	30	20	HKED	
N#Cc1ccc(F)c(COC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1	921226959	ZBIMWZRAJXNIET-UHFFFAOYSA-N	407.253	5.485	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccoc45)CCC3)cc2)C1	1785810502	WLYVIMOXMHAGGU-UHFFFAOYSA-N	400.478	5.147	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4)cc3)CCC2)c1	1790216188	NEHFHYFVCFXLSF-IBGZPJMESA-N	423.516	5.375	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1	1791248632	AGUVDTPUZGDZDT-MRXNPFEDSA-N	419.500	5.267	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1824139913	SLTXZSDDGKYXHT-FQEVSTJZSA-N	424.576	5.056	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)CCCCC)CC1	1831448254	NBFNCQJEYSHBHO-UYAOXDASSA-N	412.565	5.034	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1	7773377	MTYKWPBBUGOQLH-CYBMUJFWSA-N	400.891	5.546	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(CC)cc2)cc1	10174407	NDNICWIBMRDFOR-UHFFFAOYSA-O	417.598	5.712	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	25841915	NYCJDHYMIPZTIC-UHFFFAOYSA-N	414.292	6.010	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)ccc1Cl	58566406	SIDHNTKLJLYZFS-UHFFFAOYSA-N	418.909	5.404	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1cccc2ncccc12	60127430	RYEQPKRRDVPADV-QGZVFWFLSA-N	408.461	5.338	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	64455897	UVNWHCDOKIWDIC-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
C=CCN(C(=O)c1cnn(CC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	79309375	JASFAWKHJMMDKJ-UHFFFAOYSA-N	407.326	5.166	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3cccs3)n[nH]2)cc1	108690272	GMDGSHBIRYGBGK-UHFFFAOYSA-N	414.490	5.036	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccnc2ccccc12)c1nc(-c2ccccc2)cs1	110657655	JRERHNZTLWOTLO-KRWDZBQOSA-N	401.516	5.327	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc21	303258419	DSEVZGOKDWHIMA-INIZCTEOSA-N	421.566	5.409	30	20	HKED	
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	303377581	LRZBLEDSHYPZQV-DLBZAZTESA-N	424.570	5.245	30	20	HKED	
Cc1ccc(CN2CCCC2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	427495488	OLLRAJYLFHIJTQ-UHFFFAOYSA-N	411.505	5.507	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1	428610641	DRADWXJPJGQDOW-GFCCVEGCSA-N	416.428	5.268	30	20	HKED	
FC(F)Oc1ccc([C@@H](NCc2ncccc2C(F)(F)F)C(F)(F)F)cc1	429327695	BSIFJNPRGDSXHE-CYBMUJFWSA-N	400.269	5.095	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3cccc(C#N)c3C)s2)cc1	431744740	OFKJARFEBKGPOY-KRWDZBQOSA-N	404.539	5.832	30	20	HKED	
N#CCCC[C@H](NCc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1	433041060	VCZIUQGIDZNLEI-QHCPKHFHSA-N	405.929	5.839	30	20	HKED	
Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2s1	433141064	LVDSOOJNCABVLJ-INIZCTEOSA-N	400.488	5.090	30	20	HKED	
Cn1cc(C#N)cc1C(=O)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1	433522658	VKKQWMQWJCVHTD-UHFFFAOYSA-N	406.898	5.007	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1cccc2ccccc12	435557162	HMUGMJYKEJSVFH-SFHVURJKSA-N	423.472	5.613	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	436344365	OQVOCKRWRBYMQD-RPWUZVMVSA-N	424.504	5.243	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	437499085	OXTHQYXEUIMCEP-UHFFFAOYSA-N	402.425	5.400	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	437907560	JOSLKASBWCZKML-QGZVFWFLSA-N	410.949	5.052	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cs1	438051556	POHIDOAFAWQELQ-HUUCEWRRSA-N	418.588	5.299	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)s1	438074020	MFOWDIYKYDHHTP-QGZVFWFLSA-N	404.539	5.034	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)cc1	438224054	JAKFRVNGVORNMO-RPBOFIJWSA-N	422.488	5.654	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	439367083	DXORLVSVGJIYPB-SHTZXODSSA-N	419.312	5.139	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cnccc2-c2cccc(F)c2)c1	439675633	UEDNMWRHGFGKCN-UHFFFAOYSA-N	423.447	5.591	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1C	460341695	OUBNNTNNNVYSQY-QGZVFWFLSA-N	409.505	5.651	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nccc(-c3ccco3)n2)c1	464457015	USKXGSGZOHFIQL-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	464568139	JLTOJWJTQBJNMC-ZDUSSCGKSA-N	408.395	5.638	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCC(c2cccc3ccccc23)CC1	466606611	JBFGCZBGXDRXEE-UHFFFAOYSA-N	414.509	5.329	30	20	HKED	
CCCn1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C	470375852	OWBRXQDJWCVUHY-UHFFFAOYSA-N	422.916	5.266	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(O)nc(C4CC4)c3)cc2Cl)cc1	473830905	QJVAKYSRECVPCM-UHFFFAOYSA-N	405.841	5.234	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)n1	474440520	YHWOCVYJWHHQGK-GFCCVEGCSA-N	409.561	6.095	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1	475577154	ZRENAPNECUVYGV-HSZRJFAPSA-N	419.613	5.914	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1	476122492	KJSULPKTXMNZBU-BGYRXZFFSA-N	406.570	5.400	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(CNc4ccccc4)cc3)cc2)nc1	480037045	NJZUALUUVVSVME-UHFFFAOYSA-N	420.472	5.610	30	20	HKED	
N#CC1(F)CCN(C(=O)Nc2ccc3nc(-c4cccc(Cl)c4)sc3c2)CC1	482247646	WPZRIKZKUYHTPG-UHFFFAOYSA-N	414.893	5.476	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nccc2ccccc12	483207800	WJWSAVMAZAXXIC-QGZVFWFLSA-N	407.260	5.217	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3nccc4ccccc34)c2)c1	483217286	DHVGKOLASVGHCC-XMMPIXPASA-N	403.441	5.176	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F	489685707	LUXKICNIGDKJBZ-UHFFFAOYSA-N	402.800	5.054	30	20	HKED	
C=CCC(C)(C)CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F	490092438	VRFVJZDSKOTXJY-UHFFFAOYSA-N	419.369	5.242	30	20	HKED	
C=C(CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1	490144236	OOZXDUFGFUFIFA-HSZRJFAPSA-N	411.954	5.136	30	20	HKED	
Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	491481713	NDAHHSGBFJAZJW-NQIIRXRSSA-N	423.582	5.231	30	20	HKED	
CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	499530289	SFTLIWDWLWLDNQ-HXUWFJFHSA-N	403.404	5.083	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cnn1-c1ccc(Cl)cc1	499813509	PFBPPQFPYCSRIH-QGZVFWFLSA-N	419.699	5.136	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cnc4ccccc4c3C(F)(F)F)CC2)cc1	503956438	UAVCSUOCNUAMJF-UHFFFAOYSA-N	407.395	5.055	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	504440937	CSYFJWOQAVWRDJ-QGZVFWFLSA-N	404.539	5.363	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(C#N)cc1	506890391	CEFUPFRORNLDNZ-ZBEGNZNMSA-N	415.337	5.241	30	20	HKED	
Cc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F	509906400	YHDQONMTWXCPNZ-UHFFFAOYSA-N	403.457	5.101	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	511912712	WGEZCMLQTCCKNI-UYAOXDASSA-N	401.432	5.055	30	20	HKED	
C=CCOc1cccc(N[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)c1	513188975	TXFHIDYRLONMJF-DEOSSOPVSA-N	402.494	5.442	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccccc2Br)nnc1-c1cccnc1	513242723	XEQPMPBUHQJNFH-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
Cc1nc(SCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2c(C)c(C)sc2n1	514495335	FEVPICMTKDVEBJ-UHFFFAOYSA-N	424.595	5.018	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	515666662	CVPCTIZJXAMOOI-UHFFFAOYSA-N	405.498	5.061	30	20	HKED	
N#C[C@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl	517492244	PRJRPWWOUCZHBX-AWEZNQCLSA-N	419.255	5.485	30	20	HKED	
CC(C)CN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@@H](C)c1ccccc1Cl	519778655	TYGFYQYFILVSBT-AWEZNQCLSA-N	418.324	5.049	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2nc(C)cc(C)c2C#N)C3)cc1	520243576	VJQAENAJLVTSBY-UHFFFAOYSA-N	411.509	5.085	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	520713214	HXKCCNJJLYILOB-BJKOFHAPSA-N	414.480	5.351	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	522455067	OCBPPGDITUPIGF-UHFFFAOYSA-N	418.884	5.128	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)o1	523458069	PPZPJESSMPPRFD-KRWDZBQOSA-N	421.419	5.550	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	524336330	OHHRTANCSBQRLG-VGSWGCGISA-N	420.896	5.067	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2C#N)C1	524421546	ZUVFCBJJTQFBAT-AWEZNQCLSA-N	417.490	5.041	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)s2)cc1	530964949	GNKGNGNGDODBIG-RTWAWAEBSA-N	417.534	5.039	30	20	HKED	
Cc1cnc(CCN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1	534369034	FDBKYVHKXAEOGC-UHFFFAOYSA-N	411.914	5.084	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1	534778404	UNPLBTJAQISZBQ-UHFFFAOYSA-N	424.957	5.629	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)c1nc(-c2ccccc2)no1	535537721	IKWXSJJQLNEPRN-HOTGVXAUSA-N	421.526	5.056	30	20	HKED	
CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccccc1Oc1ccccc1C#N	540859877	YZAQXTQPEYVCOL-UHFFFAOYSA-N	417.412	5.098	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CSc2cccc(Cl)c2C#N)cs1	542103481	XRHDPLOWXCBKDB-UHFFFAOYSA-N	413.955	5.954	30	20	HKED	
N#CCC1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1	542905290	JBMVOEHGJQCDJG-UHFFFAOYSA-N	408.498	5.630	30	20	HKED	
C[C@]1(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO[C@@H]1C1CC1	543292310	FIWRGMWHERYDIV-WPYKKVEZSA-N	409.917	5.075	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	544742004	NRENKKPOMZARON-SFHVURJKSA-N	408.567	6.017	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)c1ccncn1	546858888	QHTMXMTWWWMSBV-IBGZPJMESA-N	411.486	5.274	30	20	HKED	
C[C@H]1C[C@H](CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H](C)O1	549231477	NZVIEXXYPADCJG-CEQLMSFQSA-N	421.541	5.047	30	20	HKED	
C=CCC[C@@H](NC(=O)C1CCC(OC(F)F)CC1)c1ccc(C(F)(F)F)cc1	556940382	XGMIUENEEFHRBX-BDVYOWHSSA-N	405.407	5.627	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccccc1OC	563780779	OAGLDNMSIJPYLS-DYESRHJHSA-N	422.504	5.093	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](Sc1ccccc1)c1ccccc1	583195645	MHLFUXPDZNADAF-HSZRJFAPSA-N	407.535	5.210	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCSc4ccc(F)cc43)s2)cc1	603650414	YLJZPFBMYZJAKX-GOSISDBHSA-N	424.526	5.103	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1Cl	604475221	ZYGZTUYSKFFNBH-HXUWFJFHSA-N	420.856	5.225	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1	608994337	JMHYQUIYKGGQSV-UHFFFAOYSA-N	401.432	5.360	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1	609438539	JRTSXPWXYAHGRN-RFWXGWTQSA-N	423.582	5.712	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1	609438562	KCGUBQJNSFWPHE-YOEHRIQHSA-N	407.461	5.896	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1	609459518	AVCAFHSOEHVNBH-GOSISDBHSA-N	423.944	5.119	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(COC3CCCC3)cc2)c1C#N	610070930	OPNYTWFTOVTPQS-UHFFFAOYSA-N	407.539	5.264	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccc(C#N)c1	610361455	DOUJDAUFUAZXOS-AWEZNQCLSA-N	421.840	5.403	30	20	HKED	
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	610674439	PLTMVHSTRQVXGU-PKOBYXMFSA-N	408.571	5.201	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2ccccn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	611854263	KUCCBWVURURACT-IBGZPJMESA-N	410.521	5.270	30	20	HKED	
O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OC(F)F)c1	612778478	DFRWHYJNXMGDNE-BRPSZJMVSA-N	422.272	5.518	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c2C(F)(F)F)cc1	613292830	YSKVZBOGNRPKCD-QGZVFWFLSA-N	420.394	5.238	30	20	HKED	
CCSc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613403157	BXGNRPWKRHMTNK-CYBMUJFWSA-N	406.454	5.917	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2nc1O)c1nc2cc(C(F)(F)F)ccc2s1	613404138	JZVQEAWZBSINDK-CYBMUJFWSA-N	413.380	5.059	30	20	HKED	
CCCN(Cc1ccc(C(C)(C)C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1	614173043	FYNRVROWIJQRKV-UHFFFAOYSA-N	403.570	5.005	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1	614999791	BEKCFXGUSWBRTO-UHFFFAOYSA-N	424.422	5.541	30	20	HKED	
CC(C)(C)n1ncc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1C(F)(F)F	615402899	VHOIMHUKUMVBCX-UHFFFAOYSA-N	417.456	5.371	30	20	HKED	
C[C@H](c1cccc(C#N)c1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	617676402	BOBOGPOQSIPNRE-CWTRNNRKSA-N	414.292	5.094	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1	618891469	AAMXGYYVDOIJOQ-NRFANRHFSA-N	424.529	5.144	30	20	HKED	
CC(C)(C)c1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	620058223	MFMRGRBQSQVLEK-SNVBAGLBSA-N	409.458	5.559	30	20	HKED	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	674784336	GGWAPFVNGJPUGI-AOOOYVTPSA-N	411.239	5.047	30	20	HKED	
C=CCC[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cc1	676725632	PSOMZYFFJSJIQN-OAQYLSRUSA-N	402.460	5.395	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	679522880	GUSKBBGFXCFUQH-PSASIEDQSA-N	407.276	5.527	30	20	HKED	
CC(C)Oc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1	726464233	JJDISGDIWWRMJZ-UHFFFAOYSA-N	407.461	5.107	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1	727978231	DTZCMPVFQOBDLS-UHFFFAOYSA-N	401.535	5.871	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(C#N)cc2F)c(C(F)(F)F)c1	729675682	ONNXWOQKQHVKQR-UHFFFAOYSA-N	409.383	5.675	30	20	HKED	
O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1c[nH]c2cc(Br)ccc12	729937451	SAORFORTWMHFEW-HYXAFXHYSA-N	400.663	5.128	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2ccccc2-c2ccccc2)nc(-c2cccnc2)n1	733080251	TYBRSOIRYMILGT-UHFFFAOYSA-N	419.410	5.670	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCOc2cccc(Cl)c2Cl)c1	733770826	KOWZSWQHTBSTMT-INIZCTEOSA-N	421.324	5.150	30	20	HKED	
CS[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	740539856	WCHLGVVLLYFMPI-ORAYPTAESA-N	400.475	5.369	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4c(C)cccc34)n2)cc1	741437251	GZOSGUGIALDQPG-IBGZPJMESA-N	401.491	5.027	30	20	HKED	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1ccc(CC#N)cc1	742487651	AIAOXFTYPHAGHG-UHFFFAOYSA-N	415.877	5.014	30	20	HKED	
CCCN(C(=O)NCc1cc(C#N)ccc1F)[C@@H](C)c1ccc(Cl)c(Cl)c1	745893342	RVOKJYNAZRGBTL-ZDUSSCGKSA-N	408.304	5.687	30	20	HKED	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	748939829	GGJQVBITELMCSK-DEOSSOPVSA-N	415.493	5.246	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2SCC)cc1C#N	752198388	KOAGXMJOWIZKMP-UHFFFAOYSA-N	403.891	5.144	30	20	HKED	
C[C@H](Cc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	754527747	FXQKWAYCFNLFGJ-KDOFPFPSSA-N	405.910	5.390	30	20	HKED	
Cn1cc(CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21	756258406	SUGGAVISAKOSTA-MRXNPFEDSA-N	421.472	5.389	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)CCCc3cc(Cl)sc3Cl)o2)cc1	756511429	HHOKHAHGBVNILK-UHFFFAOYSA-N	422.293	5.043	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Br)c2F)cc1	757838932	XBWOLQJKDHIBQP-GOSISDBHSA-N	409.258	5.496	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc2cccnc12)c1nc(-c2ccc(Cl)cc2)cs1	772641083	OSZDQIYMQDSNRY-GOSISDBHSA-N	403.894	5.431	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCSc3ccc(Br)cc32)c1	772983904	NEELZANDMARCQU-APWZRJJASA-N	417.372	5.457	30	20	HKED	
N#C[C@H](C(=O)C1CCC(C(F)(F)F)CC1)c1nc2cc(C(F)(F)F)ccc2s1	774053234	IOMBLVFYEXTOMR-RTYFJBAXSA-N	420.378	5.860	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	776081701	PGLVROSYNGEFPN-LJQANCHMSA-N	403.432	5.784	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	781134721	GBXWXTHGJUYQOH-MBSDFSHPSA-N	414.505	5.177	30	20	HKED	
C[C@]1(C#N)CCCN(Cn2nc(Cc3ccccc3)n(C3CCCCC3)c2=S)C1	784014298	MHUXMEVHGSLNPS-HSZRJFAPSA-N	409.603	5.093	30	20	HKED	
Cc1c(C(=O)/C=C/c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cnn1C(C)(C)C	787186577	LGXOLHKJDCJCMG-JXMROGBWSA-N	416.447	5.106	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=NNc2nnc(-c4ccccn4)s2)CCC3)cc1	788028302	VOIOBAOTHNNDJP-UHFFFAOYSA-N	418.551	5.185	30	20	HKED	
CC(C)Sc1cccc(Cl)c1/C=C1/CCc2c(cnn2-c2ncccn2)C1=O	792898576	DHKNFHKOYWFZBG-KAMYIIQDSA-N	410.930	5.029	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	793045334	ZNHOXUYCWKWBSB-QHCPKHFHSA-N	407.473	5.866	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	793469423	UHKVJCJOGSZKAK-JTQLQIEISA-N	413.540	5.342	30	20	HKED	
C[C@H](Oc1ccc(C=O)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	795250051	GFAGUQUPIWDTBM-KSFYIVLOSA-N	418.880	5.214	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC	800156686	HAJWCEHXMMPHID-OAQYLSRUSA-N	410.514	5.018	30	20	HKED	
COc1ccc([C@@H](NCC(C)(C)CCC#N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1	806175836	GFZVWWMGHSPMNH-NHCUHLMSSA-N	415.578	5.055	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCCCCC2)cc1	806503888	VVEXFUBFUSDRGI-UHFFFAOYSA-N	409.578	5.455	30	20	HKED	
N#Cc1cccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)c1	834790694	UXLLRNHRHQBQKV-RQZCQDPDSA-N	424.312	6.326	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@@H](c2ccccc2)c2ccccn2)cc1OC	861241374	CVFAUNFQNPCLKI-RIMHDXITSA-N	401.462	5.001	30	20	HKED	
CC(=NOCc1coc(-c2cccc(Cl)c2)n1)c1nc2ccccc2n1C(F)F	914572357	RQDXKFUEQGEFIP-UHFFFAOYSA-N	416.815	5.681	30	20	HKED	
N#CCOc1cccc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	915741286	PACOUXFNUZTEIR-PLNGDYQASA-N	414.305	5.278	30	20	HKED	
FC(F)(F)c1cnc(NN=Cc2ccccc2OCc2cccnc2)c(Cl)c1	915940296	ZWEBXVYMADVAQN-UHFFFAOYSA-N	406.795	5.174	30	20	HKED	
CC(=NNc1ccc([N+](=O)[O-])cn1)c1ccc(-c2ccccc2Br)s1	915969685	WBSLZTOODQUIDZ-UHFFFAOYSA-N	417.288	5.317	30	20	HKED	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	916383695	ONLABLKVPDOSTG-LAUBAEHRSA-N	404.897	5.710	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)nc2ccccc21	916627399	RPMNACSPBAHXTE-FDWYHIAWSA-N	401.466	5.191	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(Cl)cc3)n2)cc1	916972178	KMBFZDMLODISAZ-GOSISDBHSA-N	412.967	5.882	30	20	HKED	
Fc1ccc2c(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)c[nH]c2c1	917538477	JJAHWGLJVICHGC-UHFFFAOYSA-N	406.273	5.043	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccccc1F)c1nc2cc(C(F)(F)F)ccc2s1	918491884	KOXHCURNHXDMNL-ZDUSSCGKSA-N	422.403	5.490	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccccc1OCC#N	920014393	XNDCGUPUNFZHIA-UHFFFAOYSA-N	408.498	5.507	30	20	HKED	
Cc1ccccc1Nc1nc2sc(C(=O)Nc3cccc(OCC#N)c3)cc2s1	920037094	XCFZYXJXZQOOQZ-UHFFFAOYSA-N	420.519	5.565	30	20	HKED	
CC(=O)Nc1ccc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)cc1	920385739	WVOWHRXNXUSQRQ-UHFFFAOYSA-N	402.951	5.130	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3F)n2)cc1	920792677	WOKRKOJAMGYSOV-GOSISDBHSA-N	421.497	5.253	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1	1787134592	NSWKSYHSRRZXQW-UHFFFAOYSA-N	417.484	5.145	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCS3)cc2)CCC1	1792011124	IGAJEMMOOLHZMF-IBGZPJMESA-N	400.588	5.009	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]2C)CC1	1828478463	IPYKCTXSAKFRSX-NNWRFLSQSA-N	402.623	5.035	30	20	HKED	
CC(C)CCn1c(SCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12	4876421	HYBVTTUMPJIOMK-UHFFFAOYSA-N	413.550	5.822	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1cc(C)cc(C)c1	10172613	UHLNHZQGAZNPEF-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1Cl	16095837	PZJDPMQQMUEUTQ-LJQANCHMSA-N	418.852	5.074	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(CC(F)(F)F)c3C)n2)cc1	51153841	DWGUNCVPTNFCAW-KRWDZBQOSA-N	417.456	5.589	30	20	HKED	
N#CCCCOc1cccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1	55876934	YTDBZOWSBVTQMI-UHFFFAOYSA-N	411.811	5.092	30	20	HKED	
C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NC1(C#N)CCCCC1	60383573	GLGLFUKWSUZIOZ-OAHLLOKOSA-N	422.579	5.182	30	20	HKED	
C=C(C)COc1cc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC	60822110	YLXCUYFIPOHBOP-VMPITWQZSA-N	404.409	5.156	30	20	HKED	
CCO[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	195655192	VZICWXLZKXPYJX-FYYLOGMGSA-N	404.897	5.712	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)cc2F)cs1)c1ccc(F)cc1F	211968424	VLCPMTLRRHXMOM-DAXSKMNVSA-N	420.387	5.280	30	20	HKED	
COc1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc2ccccc12	303236047	ZKIUNXOBEGGYRF-UHFFFAOYSA-N	423.472	5.255	30	20	HKED	
Cc1cc(CCC(=O)Nc2ccccc2SCCC#N)ccc1Br	434016702	JEHSSWIDLVEYJT-UHFFFAOYSA-N	403.345	5.335	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cnn1-c1ccccc1	435379143	HVTSUEAVBHNCSS-UHFFFAOYSA-N	408.461	5.291	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1C#N	435540920	FCEJPOCKGGZFAR-JOCHJYFZSA-N	402.498	5.586	30	20	HKED	
N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	436709912	XMHKWPOTFNZQQE-KRWDZBQOSA-N	413.502	5.380	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	438055185	XRLRFCAMYKVSQI-QFUCXCTJSA-N	404.539	5.385	30	20	HKED	
N#CCC[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	439661744	OOTICWOARRZRIG-MRXNPFEDSA-N	417.456	5.409	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1CCC(C)C	440795923	VZHBAQZXGIIEST-UHFFFAOYSA-N	416.525	5.135	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCC1CCC(C#N)CC1	442155792	NAEALDFFYSBVNJ-QQFBHYJXSA-N	416.978	5.462	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ncoc3-c3ccc(C)cc3)n2)cc1	442857994	HIBNCBMZNXBIRK-SFHVURJKSA-N	415.474	5.272	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)c2ccccc21	443908304	NUHRQEFLRLBQRK-UHFFFAOYSA-N	419.378	5.278	30	20	HKED	
CCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccccc1C	444404207	RIRUQKWXMHLWHF-UHFFFAOYSA-N	411.509	5.254	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(CC(F)(F)F)CC1	460778796	ANXNVSGMNBKVBV-UHFFFAOYSA-N	415.463	5.238	30	20	HKED	
Cc1ccc(O[C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	463902476	DRJMZJNINPGZAT-IBGZPJMESA-N	416.546	5.356	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	464954467	RYKLUJVCUYZNGG-CZAAIQMYSA-N	400.444	5.182	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSC[C@@H]1CCC2(CCCCC2)O1	466755634	PIKLKRYMTFHXDO-ROUUACIJSA-N	418.628	5.634	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1	466951024	ZIMGNKLWURMATQ-LOSJGSFVSA-N	419.569	5.202	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c2)cc1	468526471	CZPUYLPMBBHNOB-UHFFFAOYSA-N	416.321	5.307	30	20	HKED	
CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	471094527	HLTSBISJCSRWKY-INIZCTEOSA-N	415.449	5.023	30	20	HKED	
N#Cc1cnc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c(Cl)c1	473413480	ROIWJAAEGIMVEN-UHFFFAOYSA-N	419.655	5.353	30	20	HKED	
CC(C)(C)c1ncsc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	473470846	GDDSFXQWJDGABD-UHFFFAOYSA-N	405.523	5.338	30	20	HKED	
COc1ccc(CCNC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Cl)c1	473818572	DBEHYASXJIHLHU-CQSZACIVSA-N	403.935	5.107	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	475000654	MFXKCENYTKQGGQ-GOSISDBHSA-N	407.493	5.546	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1	475547139	IUDLWTDRJPOVIQ-UHFFFAOYSA-N	406.570	6.231	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1	476437632	NYDCCPIAXDLUFN-JOCHJYFZSA-N	411.505	5.353	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2ccncc2)n1C1CCCCC1	479111231	YKXGTCQPLXOVQF-UHFFFAOYSA-N	409.946	5.663	30	20	HKED	
C=C(C)[C@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1	481591115	JRQBKUUIMUGPCO-SFHVURJKSA-N	418.793	5.483	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1F	481595475	JDMKEDKWJVFXLP-UHFFFAOYSA-N	407.420	5.046	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c1	483238800	RNWQLJIYAHRIHG-VWLOTQADSA-N	405.501	5.357	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(C(F)(F)F)c1	483436433	SWANQLISVJRNKF-RDJZCZTQSA-N	420.500	6.622	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C	484513299	CDFSQOUIYZYSQZ-CQSZACIVSA-N	407.449	5.610	30	20	HKED	
Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1	487358184	XKWXRPJNGWPGNA-UHFFFAOYSA-N	401.413	5.185	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	490269266	DDWAGCOPVBFFAH-UHFFFAOYSA-N	420.456	5.222	30	20	HKED	
Cc1nc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)cs1	495448184	PWAPEWVDSMDZFG-UHFFFAOYSA-N	412.540	5.042	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1	498142406	SEKRLWNOSKWIER-OAQYLSRUSA-N	404.938	5.300	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)sc2ccc(F)cc12	499413079	LRXNSDWEAQNEGD-OAHLLOKOSA-N	403.276	5.106	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCc3ccccc3C2)cc1	499612473	ZXEDTDWBQDFPTM-UHFFFAOYSA-N	413.477	5.339	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)COC(c1ccccc1)c1ccccc1	501020786	MPWQRUGAIVFNJT-UHFFFAOYSA-N	422.484	5.491	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1	502088213	APIHBDBNUXRTFQ-AVRWGWEMSA-N	411.505	5.033	30	20	HKED	
CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1C	502621338	SUKPUBKVGRIXGL-UHFFFAOYSA-N	414.465	5.570	30	20	HKED	
O=C(N[C@@H](C1CC1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	502680033	PXHVDTFGYCXGGP-NEPJUHHUSA-N	422.291	5.339	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)CC2)cc1	504013719	RSDJUZWOTRHVEP-UHFFFAOYSA-N	422.488	5.132	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccc(Br)cc3)n2)cc1	505746196	SUUKIIVPXIFRES-MRXNPFEDSA-N	412.312	5.127	30	20	HKED	
N#C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1	505977920	XFLOGVCTBKVUBN-CZUORRHYSA-N	401.215	5.410	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccccc1Oc1ccccc1	506166979	SDLLATNSRQKEHJ-GOSISDBHSA-N	416.525	5.016	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1Cl	506708379	ZPMWFFSWOVMTIU-LJQANCHMSA-N	416.868	5.134	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCc2cccc(NC(=O)C3CCCC3)c2)CC1	507618409	CELCDPMKVCHUGW-UHFFFAOYSA-N	401.554	5.309	30	20	HKED	
CCN(CC)[C@@H](C(=O)Nc1sc(C)c(C)c1C#N)c1cccc(C(F)(F)F)c1	509797638	YCQYSXGQKWNQAN-QGZVFWFLSA-N	409.477	5.277	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1Cl	510007205	SZUALHOYCIHMGN-IFMALSPDSA-N	421.953	6.426	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H]3CCC[C@@H]3c3cccc(C(F)(F)F)c3)o2)cc1	511810257	TYBJFQDYOSFGDV-MOPGFXCFSA-N	412.415	5.053	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1	512961289	QPBFPNGZIZYWBS-UHFFFAOYSA-N	410.395	5.096	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c(Br)c1	513127024	BKJOTOJFGQOXPF-KRWDZBQOSA-N	408.221	5.195	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccccc3SC[C@H](C)C#N)[nH]c2c1	517472867	CZHMWLBDVKJHSY-UZLBHIALSA-N	419.554	5.492	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)c(Cl)c1	518136678	SPAMVFYZRJDDCI-ZIAGYGMSSA-N	422.978	6.306	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CC=C(c2ccccc2Cl)CC1	518841556	WGLVUGNFPAKNSR-UHFFFAOYSA-N	420.944	5.128	30	20	HKED	
Cc1cc(C)c(-c2nnc(SCc3ccc(Br)cc3C#N)o2)c(C)c1	519014676	GPLWSTISLWBAAT-UHFFFAOYSA-N	414.328	5.588	30	20	HKED	
COc1nc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc2ccccc12	520100347	YZMJHVKASSHOLO-UHFFFAOYSA-N	411.486	5.194	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1cccc(Oc2ccccc2)c1	520826251	HZIKLAJKEGKWHH-SFHVURJKSA-N	417.534	5.781	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	521640918	FZHUDUNNTHQJAK-OAQYLSRUSA-N	410.445	5.317	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccc2oc3ccccc3c2c1)c1ccccc1	521788106	GJZCNOJMZHUJIA-UHFFFAOYSA-N	411.461	5.252	30	20	HKED	
Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1Cl	542994222	LMYNVXMUVIVNRJ-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3ccccc3CN3CCCC3)no2)c2ccccc21	546941228	BHUPIUBVSMNMLL-OUKQBFOZSA-N	423.520	5.371	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(F)(F)F	554763460	ZKIVJGAPMDDBCC-IEZWGBDMSA-N	417.431	5.320	30	20	HKED	
COc1ccccc1-c1csc(NC(=O)c2sc3ccc(C#N)cc3c2C)n1	555964042	GGXPXZKBZZLNPI-UHFFFAOYSA-N	405.504	5.466	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSCc2nc3ccccc3[nH]2)n(C2CCCCC2)c1C	560900179	QDFDOQFCYBINBW-UHFFFAOYSA-N	421.570	5.230	30	20	HKED	
CC(C)(C#N)CCCCN1CCCC2(CCCN(CCCCC(C)(C)C#N)C2)C1	571843619	BXQATRIIEDOYME-UHFFFAOYSA-N	400.655	5.605	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@H](N[C@@H]1CCc3ccc(C#N)cc31)c1ccc(Cl)cc1)C2	577548237	ZHBZSBFVKLXKSP-ZCAIMPEWSA-N	405.973	5.403	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1ccc(Cl)cc1	582205239	DFVLAKLUPOLKPD-UHFFFAOYSA-N	407.905	5.148	30	20	HKED	
N#Cc1cc([N+](=O)[O-])c(NCc2ccc(Cl)o2)cc1NCc1ccc(Cl)o1	587010192	MMQKKTNAFVLDCY-UHFFFAOYSA-N	407.213	5.183	30	20	HKED	
C=CCOc1ccc(C(=O)N(CCC)[C@@H](c2ccc(F)cc2)c2cccnc2)cc1	599353720	JWYFCPWOMHQOIX-DEOSSOPVSA-N	404.485	5.427	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1	603828682	VCHLNVKLAKSFRV-HXOBKFHXSA-N	415.493	5.370	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccc2F)cc1	608916286	VRYIUBWGVMTNNZ-UHFFFAOYSA-N	417.484	5.719	30	20	HKED	
N#Cc1ccccc1OCC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	609032921	HJZIIMCGXAOITP-UHFFFAOYSA-N	413.408	5.055	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)cn2)c1	609139226	GMGXMDIHNVJFIJ-XMMPIXPASA-N	421.460	5.052	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccn1	609208399	HWLBEVXKTWPJCN-QFIPXVFZSA-N	418.472	5.334	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	609384966	ZLLLMGFJPDMWFC-ZWKOTPCHSA-N	407.583	5.106	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccccc3S[C@H](C)CC#N)[nH]c2c1	609434996	JMWVUUKBRIIBHQ-UZLBHIALSA-N	419.554	5.635	30	20	HKED	
N#Cc1ccc(NC(=O)CCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1Cl	609540685	CORGSAVXJTYOAJ-UHFFFAOYSA-N	424.907	5.040	30	20	HKED	
CC(C)n1cc2cc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)ccc2n1	609835933	SXYMMOKQDBKXQR-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](c3ccccc3)c3nccs3)c2)cc1	609988236	RIQXGEJQRGZWJP-QFIPXVFZSA-N	410.502	5.278	30	20	HKED	
Cc1cc(O[C@H](C)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)ccc1C(C)C	610053633	OTNOJCOYFBHYGL-LJQANCHMSA-N	416.525	5.199	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc2c(cnn2C(F)F)c1	610962861	AWDOTZNZWADYOD-GFCCVEGCSA-N	401.442	5.327	30	20	HKED	
COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)N1CCC[C@](C)(C#N)C1	612318453	DPISMUGNENERSD-HXUWFJFHSA-N	417.918	5.013	30	20	HKED	
CSc1cccc([C@@H](NC(=O)N2CCC[C@](C)(C#N)C2)c2cc(F)ccc2F)c1	612375272	MHARQFSNGXVBOO-IFMALSPDSA-N	415.509	5.111	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCC[C@](C)(C#N)C3)c2c1C	612397498	XDGBIKGVKRQGHJ-JOCHJYFZSA-N	422.579	5.225	30	20	HKED	
CN1[C@H]2CC[C@H]1CC(c1noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n1)C2	612954666	MQGOCFVFCCUWMW-ROUUACIJSA-N	420.900	5.394	30	20	HKED	
Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)C	619847889	XBPTWHBQSLVLMX-HSZRJFAPSA-N	420.586	5.163	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1C(C)(C)C	620304566	NWAPJACWBHSOLO-LBPRGKRZSA-N	414.481	5.092	30	20	HKED	
C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674423051	QAWGDEUOFXCALT-FXAINCCUSA-N	422.291	5.149	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1ccc2ccccc2n1	683372490	LYZWYVMYFUXBDC-HSZRJFAPSA-N	401.469	5.728	30	20	HKED	
COc1ccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F	726467778	BFTMWDHMDWHJJN-UHFFFAOYSA-N	421.497	5.288	30	20	HKED	
Cc1cc(CC(=O)Nc2ncccc2OCCCC#N)c(C)n1-c1ccc(Cl)cc1	726957347	CVXBZUTYHNPEDG-UHFFFAOYSA-N	422.916	5.006	30	20	HKED	
Cc1ccccc1-c1cc(NC(=O)c2ccccc2OCC#N)n(Cc2ccccc2)n1	727311934	MONKWSCSEWGSQY-UHFFFAOYSA-N	422.488	5.062	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727791915	VUAZXNFGYLTXEG-DLBZAZTESA-N	410.304	5.232	30	20	HKED	
CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728470434	KNVKFQQJLFQQAX-UHFFFAOYSA-N	413.477	5.085	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	728770776	WZHYORXKSYTLDJ-KXBFYZLASA-N	401.491	5.060	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2Cl)C2CCCC2)cc1Cl	729157877	FHVWYSIFSNGHTI-UHFFFAOYSA-N	404.366	6.007	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@H](C#N)c1nc3ccccc3s1)oc1ccccc12	730110023	LHANLVDHSBSYEM-HNNXBMFYSA-N	413.458	5.450	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccccc1C#N	730995782	TYMZUGZEPHQIIX-RMKNXTFCSA-N	401.413	5.235	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	731280527	NCMKQCOPMAXSDV-IBVKSMDESA-N	409.533	6.175	30	20	HKED	
CCCCCCN(C(=O)Cc1ccc(OCC#N)cc1)c1nc2ccccc2s1	731957181	TWYSFFWDXGLYNX-UHFFFAOYSA-N	407.539	5.355	30	20	HKED	
C[C@H](OC(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)Nc1ccccc1C#N	732407546	RLFCSIIZAHLOSA-HNNXBMFYSA-N	404.853	5.063	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nc(C)cs3)cc2)c1	733844813	VTMZTUSQHBTSDM-LJQANCHMSA-N	406.511	5.121	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	735039302	NGPISUZMHVQJOF-UHFFFAOYSA-N	415.880	5.873	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1	735068344	VRKSBRXETDRFSX-NDEPHWFRSA-N	412.580	5.136	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCc2sccc2[C@H]1c1cccs1	735306785	USHGKVFUPNDCQI-FQEVSTJZSA-N	400.956	5.513	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1	735309678	JOWMZWINVIJXPA-LJQANCHMSA-N	408.889	5.020	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1	748719153	YLVBCMPWYUUFIX-UHFFFAOYSA-N	403.526	5.300	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)cn1	756129293	VJKFBKOEEWLHBG-UHFFFAOYSA-N	420.538	5.319	30	20	HKED	
N#Cc1c(F)ccc(/C=C(/Cl)c2nc(O)c3c4c(sc3n2)CCCC4)c1Cl	761480206	ZWWOTBAYLNESLK-KPKJPENVSA-N	420.296	5.677	30	20	HKED	
C=CCn1c(SCc2nc(Cl)ccc2Cl)nnc1-c1cccc(OC)c1	762479042	JKUUYEJFMIWNDK-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H]2c2ccc(Cl)cc2)c1=S	764880628	XCYXJFCDIPOVDO-IBGZPJMESA-N	411.962	5.110	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c(F)c2)cs1	765612892	MFSLJPJLOAVMSJ-UITAMQMPSA-N	418.852	5.655	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Oc2c(Cl)cccc2Cl)nnc1-c1ccco1	769617573	YLJYIAYPQBLOJN-UHFFFAOYSA-N	424.309	5.119	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1	772982363	GNTMGFYNNHIUMC-FOIQADDNSA-N	409.530	5.789	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)c(Cl)cc1O	774375895	RXLFZTXMBLJTCX-ZDUSSCGKSA-N	418.324	5.455	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1	778982863	FBNVEQYYEQTBCN-KRWDZBQOSA-N	405.329	5.003	30	20	HKED	
C[C@@H]1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCC1=O	783354826	IEEPWCSFMGVBHU-UHIISALHSA-N	407.322	5.298	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccco3)s2)CC/C1=C\c1cnc(-c2ccco2)s1	789127923	PGZYUYBHUONDAY-ZKLMZBBOSA-N	406.488	5.950	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2cc3c(ccc4ccccc43)o2)cn1	792868493	FPOLOBYWJQJPDM-ZRDIBKRKSA-N	406.441	5.948	30	20	HKED	
CO[C@@H]1CCC[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	796642307	AVFKGISIEUFKEH-JGGQBBKZSA-N	423.365	5.888	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H]2CC23CCC(C(C)(C)CC)CC3)n1	796895308	BFNFDXOFBSVBCY-OJLPUSQMSA-N	402.560	5.129	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1Br)c1cc(F)c(C(F)(F)F)cc1F	808594617	PMVUBNCQCOHKGQ-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
C#C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1	812941348	HLFGGGKYCBCHCU-NRFANRHFSA-N	421.859	5.227	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813212707	GCVLCQNVBHIAAA-NQIIRXRSSA-N	412.436	5.810	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813214222	USMCGSPRVDMFJS-MWLCHTKSSA-N	403.187	5.051	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	814949065	RXDQXJYUJRBMMT-UHFFFAOYSA-N	412.765	5.681	30	20	HKED	
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cc(Br)cc(Cl)c1O	815636059	OCHAWQRLWWLXTL-FZKQIMNGSA-N	407.739	5.894	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)sc2C)cc1	916885039	LEPXFBOEZLWEBM-IBGZPJMESA-N	424.909	5.347	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1	916915149	DZUZULHYGHUAGA-GOSISDBHSA-N	420.900	5.034	30	20	HKED	
N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl	916927598	MENXNJNCTQTVBU-INIZCTEOSA-N	414.292	5.145	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	917498964	OMTGGYIRFGJEOL-UHFFFAOYSA-N	408.889	5.146	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccccc2C(F)(F)F)nnc1-c1ccccc1F	918748233	PJCXBHLXICPUPB-QGZVFWFLSA-N	423.435	5.115	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3oc4ccccc4c3C)cs2)cc1	920066165	SOKIRNBVWDCNGG-GHXNOFRVSA-N	405.475	5.681	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3csc(-c4ccccn4)n3)c2C#N)C1	921001248	QUQMVCZVUPDAGG-CYBMUJFWSA-N	422.579	5.542	30	20	HKED	
COc1ccc(COCc2cccc(NC(=S)Nc3ccccc3C#N)c2)cc1	921142133	IAMFHLYPZCORJW-UHFFFAOYSA-N	403.507	5.093	30	20	HKED	
N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4=CCCC4)cc3)CCC2)c(Cl)c1	1787623022	GVCCQEAWBSJXDM-UHFFFAOYSA-N	419.912	5.070	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1	1792126848	NCEFFBXNBTWSHO-OALUTQOASA-N	415.537	5.274	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)C1	1804858867	RHZGOTJWPUKMSB-UHFFFAOYSA-N	422.569	5.270	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccccc2CC)cc1	10174412	PBGVCJDSGFITRF-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C#N)cc3)[C@H]2c2cccs2)cc1	14908403	DTFWMCFBBTYJTL-OFNKIYASSA-N	415.518	5.051	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CC1	21143735	RJTGKVXAYGWZLC-INIZCTEOSA-N	420.538	5.253	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1cc2ccccc2o1)[n+]1ccc(C(C)(C)C)cc1	27311636	LXTOHCMNCDSURH-UHFFFAOYSA-O	407.559	5.122	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccc1	28186644	BOMZRNRQEAMCKW-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc2ccccc2n1	48857337	PQCISIYZPATQFM-NRFANRHFSA-N	409.420	5.116	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1nc2ccccc2[nH]1	56562966	ADXRHYLOYWRWFY-MRXNPFEDSA-N	411.465	5.418	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C#N)cc3)c3ccccc3C2=O)c1	110971993	HPYIAWPMCGPFSE-BEXDPUPVSA-N	408.457	5.014	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)c1cccc(N2CCOC2=O)c1	208087335	BKEXJAHRZWXYTL-NTMALXAHSA-N	409.894	5.921	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)CSc1ccccc1	261463002	QMLVAKJCBNJVAB-KRWDZBQOSA-N	403.507	5.421	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(Cl)cc1	303270304	HCTVOHSSCKULOC-LSDHHAIUSA-N	404.988	6.025	30	20	HKED	
CCCOc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1OCC	303408987	UEHZBWNKHWURQU-INIZCTEOSA-N	407.297	5.176	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3c(C)ccnc3[nH]2)sc1-c1cccc(Cl)c1	429577896	KZBZVEPHVVHBCF-HNNXBMFYSA-N	406.898	5.447	30	20	HKED	
COc1cc([C@@H](C)NC(=O)c2cccc(SCC#N)c2)ccc1OCCC(C)C	429872821	OXQRNYOHERWZPZ-QGZVFWFLSA-N	412.555	5.227	30	20	HKED	
N#CCCC[C@@H](NCC(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1	433018924	KMKDYGHTIHCXJB-XMMPIXPASA-N	409.533	5.475	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)Nc1ccccc1SCC#N	433301101	FREHSOFRTQEQJF-ZDUSSCGKSA-N	408.354	5.241	30	20	HKED	
COc1ccc(C#N)cc1CSc1nnc(-c2ccoc2C)n1Cc1ccccc1	435145467	RGBMDMLDTVHTJD-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NCC(=O)Nc2ccc(CC#N)cc2)cc1	439545014	CPWAKNUVOXPKIF-SFHVURJKSA-N	401.535	5.657	30	20	HKED	
Cc1nc(-c2ccc(N[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cs1	439558985	ZYNXBLICOVLWLB-OAHLLOKOSA-N	408.502	5.005	30	20	HKED	
C=CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c1cccs1)c1ccc(C(F)(F)F)cc1	441540394	BQFNRBAODSXWIZ-QZTJIDSGSA-N	424.488	5.158	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1	447099649	RXQQERBSVFSKEK-SFHVURJKSA-N	407.514	5.209	30	20	HKED	
CCNC(=O)Nc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C	447654688	ZQVRSSUSSCSODA-UHFFFAOYSA-N	413.481	5.004	30	20	HKED	
C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1	448342355	QHIGHCBBJLCXEJ-CYBMUJFWSA-N	409.898	5.255	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CNc2c(C)cccc2C)cc1	460909583	ZQVKUCSBKLJIAO-UHFFFAOYSA-N	401.466	5.027	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ncc(-c2ccc(Cl)cc2)s1	461099859	UWWLXDDVIXSAMT-UHFFFAOYSA-N	424.913	5.083	30	20	HKED	
Cc1nnc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)o1	465446467	DSMAWEKJAMHLLI-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1	467612174	YDTZLRCLCNAHOR-XZOQPEGZSA-N	401.897	5.314	30	20	HKED	
N#Cc1cc(CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)ccc1F	467763374	IDKCPRFBEXNJKJ-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
Cc1cc(F)c(Br)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	475043025	SEFLTKPORFGKMX-DNVCBOLYSA-N	416.294	5.200	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1	475553610	YZRKDMITWBJCJM-UHFFFAOYSA-N	409.549	5.417	30	20	HKED	
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	477978278	YQHHOWYYGYJPKL-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N)CCC2	478782537	BDWVKENOUFTUMH-YOEHRIQHSA-N	414.600	5.499	30	20	HKED	
CCN(C(=O)Cc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1csc2ccccc12	480937691	FWCGXFDYQCVIIX-VWLOTQADSA-N	411.530	5.349	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cn(Cc3ccccc3)nc2C(C)(C)C)cc1	482622629	FKLCBCVZXPKYAH-UHFFFAOYSA-N	417.557	5.149	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1NC(=O)c1ccccc1	483198564	QWVIIAGOYDUIEF-QFIPXVFZSA-N	405.457	5.286	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)[C@H]1CCCc2nc(CC)sc21)c1ccc(F)c(F)c1	483316535	URTWKELQEUKQDX-PKOBYXMFSA-N	405.514	5.320	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	483439637	OVOQGSFDUMIHGP-IBGZPJMESA-N	414.505	5.473	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)N[C@H](CCC#N)c3ccccc3)c2C(C)C)cc1	484853603	SLXDNRBUPMIJBN-OAQYLSRUSA-N	401.514	5.471	30	20	HKED	
O=C(CCCC(F)(F)F)Nc1cc(F)cc(NC(=O)CCCC(F)(F)F)c1	485175846	BNKBGIFYVANPML-UHFFFAOYSA-N	402.310	5.168	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	485496526	WIMKHMDMIMIWKH-LJAQVGFWSA-N	421.587	5.666	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccnc1OCc1ccccc1F	485525800	VMLKTYIFRSBYJJ-INIZCTEOSA-N	421.497	5.446	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1	488874523	VEOBLLFSZQYYOO-HSZRJFAPSA-N	411.567	5.233	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)o2)cc1	489756826	FMFNVYXIYMAVJQ-UHFFFAOYSA-N	423.538	5.330	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)Cc1cc(C#N)ccc1Br	491720171	MDVYFSACSOWCEY-STFLBKPXSA-N	417.155	5.637	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(SCc2cc(C#N)ccc2Br)o1	492078198	FGVLVXYURPYLTF-MRXNPFEDSA-N	414.328	5.538	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	495143149	URYIARJCSFWGAB-UHFFFAOYSA-N	416.506	5.428	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccnn1-c1ccc(C#N)cc1	497938244	NOTVLBVILFRMOX-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1	504664740	BQHKGDGNSFXVFG-SANMLTNESA-N	423.516	5.155	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1	505044435	BAXMRYJVXNCQCI-NRFANRHFSA-N	402.498	5.614	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1	505309413	CDKBCTGEANJRSW-ROUUACIJSA-N	423.586	5.025	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](COc4ccccc4)C3)cc2)cc1	506901630	VDHFKEOKBKDARA-FQEVSTJZSA-N	413.477	5.283	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1	510641678	SQUWIQXTDIYVSC-MRXNPFEDSA-N	416.437	5.450	30	20	HKED	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	510853397	QUXSUKZASGBMAA-MRXNPFEDSA-N	404.432	5.594	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C)(c3ccccc3)CC2)cc1	510855614	YEAUJWIKZHYEDV-UHFFFAOYSA-N	417.553	5.086	30	20	HKED	
Cc1ccccc1C1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCOCC1	512782033	BSEILMXMRLMYPV-UHFFFAOYSA-N	412.489	5.346	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(F)(F)F)c1	512849682	AZTFWEYRGHRZQT-KSSFIOAISA-N	407.461	5.814	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc2ccccc2s1	513053623	XCHDJEORVJDNNQ-OAHLLOKOSA-N	405.866	5.627	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1-c1ccccc1F	514526658	ZFYKMFLVTOBQBV-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3sccc3Br)c2C#N)C1	514561655	RYWIHDNUQQLZFH-JTQLQIEISA-N	423.401	5.847	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Br)c3)n2)cc1	517800904	OAFPNHOUJQZHLW-CYBMUJFWSA-N	419.325	5.133	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H]2CCOc3c(Cl)cccc32)c1	520944896	QKLCRJGERIZDGY-QHCPKHFHSA-N	404.897	5.404	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1	521282598	PUUYVQHLSQKJMU-FGZHOGPDSA-N	408.423	5.406	30	20	HKED	
C=CCCCN(C)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	523015880	LBDFGJPIORRMJV-UHFFFAOYSA-N	417.387	5.567	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Sc1ccccc1	525137496	PSKSNGPKPQHFIK-KRWDZBQOSA-N	404.560	6.342	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)cc1OC	525236776	MISCFMSXKWFLKL-UHFFFAOYSA-N	413.477	5.066	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nnc1-c1cccc(C)c1	525624407	XWSMXMRKBTYQDZ-OAHLLOKOSA-N	400.573	5.286	30	20	HKED	
COc1cccc(-c2nn(C(C)(C)C)cc2CNc2cccc(OCCCC#N)c2)c1	532107682	CWXMRSGPEMJVJU-UHFFFAOYSA-N	418.541	5.608	30	20	HKED	
CC(C)(CO)[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	532617835	QSNDIJYWWJLJAR-AREMUKBSSA-N	414.549	5.029	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	533299860	NRHUGWHLEXSLKB-VAMGGRTRSA-N	407.583	5.206	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1F	534769676	PHJVTNBZZBLMQN-UHFFFAOYSA-N	408.404	5.588	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1Cl	536329541	OJYCZADNOKJICG-PKOBYXMFSA-N	423.925	5.556	30	20	HKED	
CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(C#N)c(Cl)c1	536971767	DGIOZMBSBCHSTB-UHFFFAOYSA-N	415.880	5.329	30	20	HKED	
C[C@@H](SCc1cccc(C#N)c1F)c1nc(O)c2c(-c3ccco3)csc2n1	538147961	SCXWKEXXMTYPLO-LLVKDONJSA-N	411.483	5.662	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cccc(COCCOc4ccccc4)c3)cc2)CC1	538583682	MHHDGLZDCNUXNL-UHFFFAOYSA-N	412.489	5.090	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1	539617328	SZJZXLTYXGEKKY-UHFFFAOYSA-N	400.453	5.521	30	20	HKED	
C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(C(=O)c2ccccc2)c1	541366139	FUERARPCSUSKQZ-LJQANCHMSA-N	408.501	5.084	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N	543478106	MDPFQAYLHZJCEN-UWJYYQICSA-N	413.562	5.015	30	20	HKED	
N#Cc1ccc(CNCc2cccc(NC(=O)C3CCCCC3)c2)c(C(F)(F)F)c1	554969863	ZXTKDFAQKVZGJE-UHFFFAOYSA-N	415.459	5.386	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1N1CCCCCC1	558296276	UUFBDEUGEBJTRI-UHFFFAOYSA-N	409.578	5.455	30	20	HKED	
N#Cc1ccc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc1C#N	558623185	USKBTWSQGHDSFH-UHFFFAOYSA-N	405.788	5.569	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1	559313014	URPKWQMJSMXYPZ-MRXNPFEDSA-N	405.885	5.525	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CN[C@H](C)c4ccc(C#N)cc4)nc(O)c23)cc1	576010360	JPDILDOYIHRMAV-OAHLLOKOSA-N	414.534	5.403	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	577992574	UFHAHMYELCJYBO-UHFFFAOYSA-N	413.477	5.436	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1	588934166	GXAHTEQMUDMBAK-IRXDYDNUSA-N	406.835	5.723	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1	603457951	CJWPVBQRNABJGE-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2c(F)cccc2c1C	603600820	AJSFNNGVBXJZNY-UHFFFAOYSA-N	401.397	5.500	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c4c(nc5ccccc35)CCC4)cn2)c1	603622284	QSULVBXZVHNADG-UHFFFAOYSA-N	406.445	5.035	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	603995926	VZYGBQFNPJGUNN-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	604395435	DMKDEJDWCUWIME-UHFFFAOYSA-N	401.466	5.242	30	20	HKED	
CSCc1c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)oc2ccccc12	604545475	DNMDRIAVXQKTFG-INIZCTEOSA-N	415.312	5.053	30	20	HKED	
COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OC1CCCC1	608918106	DUOUWLYVIPOQLZ-UHFFFAOYSA-N	421.541	5.008	30	20	HKED	
C[C@@H](CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1	608965797	MNXAYRIXTSUAIV-IBGZPJMESA-N	400.547	5.726	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1	609079388	AVGKRSCESSBGCH-QGZVFWFLSA-N	403.457	5.468	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	609082540	QCSWKEQNANWQPU-UHFFFAOYSA-N	424.451	5.361	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N3CCCN(c4ccccc4C#N)CC3)sc2c1	609163247	HASHFQGRRMXRNG-UHFFFAOYSA-N	409.942	5.087	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)CCn3c4ccccc4c4ccccc43)CC2)c1	609185066	QWERPTMPPVKVRA-UHFFFAOYSA-N	423.516	5.126	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C2CC2)no1	609434330	UUFLQXYMCBFJPW-FQEVSTJZSA-N	417.469	5.130	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1Oc1ccncc1	609642535	PUJYZFUDQGVGKE-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccn(C(C)C)n3)n2)o1	609722094	CYRYFLVYOIOHMQ-UHFFFAOYSA-N	406.433	5.610	30	20	HKED	
N#Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCCC2	609784597	DTTYMHSETBTQNZ-UHFFFAOYSA-N	403.891	5.022	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)CCc1ccc(C#N)cc1	609980519	MCPMMRBWXCXURQ-UHFFFAOYSA-N	412.468	5.131	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@H](C)Oc3ccccc3C#N)cc2c1	610070478	CHMAMBUWAREFDE-SFHVURJKSA-N	414.461	5.202	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCc3sc(Br)cc3C2)c1	676443470	BMIPBPCEJHXCRN-UHFFFAOYSA-N	407.333	5.056	30	20	HKED	
C=CCCOCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	679995480	YQDQRGMUHJRVIA-CYBMUJFWSA-N	423.275	5.037	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2c(F)cccc2[N+](=O)[O-])cc1OCC	728910445	KDGFTKRIEIJPEE-UHFFFAOYSA-N	410.829	5.126	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1C#N	730843965	QGYCGWOCOJIYEB-UHFFFAOYSA-N	412.946	5.058	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1Cl	731064120	VPKDPSFUEUOBGN-GFCCVEGCSA-N	423.321	5.183	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1	733805416	BMBKHVNPDUUNKU-SQJMNOBHSA-N	413.521	5.567	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc2ccccc12)c1nc(-c2ccncc2)cs1	734081275	HTYLPNZKTBFNBI-HXUWFJFHSA-N	413.502	5.394	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N	735251810	RKDIYHGSZUQDGK-UHFFFAOYSA-N	411.461	5.390	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccncc1	742076889	QBXRVUOJBDHJGN-HNNXBMFYSA-N	415.280	5.018	30	20	HKED	
CC(C)c1ccc2c(c1)C(=NNc1nc3cc(C(F)(F)F)ccc3s1)C(=O)N2	743445501	XTPVOMDECFDPIB-UHFFFAOYSA-N	404.417	5.207	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)s1	744034615	CSKBPDRCMQZWSD-GFUIURDCSA-N	401.944	5.593	30	20	HKED	
O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1cccc(N2CCOC2=O)c1	745626417	OPYVNWJWHQXMNM-CLFYSBASSA-N	420.446	5.176	30	20	HKED	
N#C[C@H](C(=O)CCCc1cc(F)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1	762039040	LBYLXYVRLPUWFC-CQSZACIVSA-N	424.394	5.792	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1	765353415	KXFARIJLRXXEHR-SJORKVTESA-N	400.906	5.186	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)o1	767332887	SAHKBLFQOCVLMQ-HXUWFJFHSA-N	421.522	5.073	30	20	HKED	
Cc1cc(NC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)nn1CCC#N	767934467	UGEOYRPGKUJPCY-ZHZULCJRSA-N	408.864	5.077	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1ccncc1	768366266	WLLHGAQHXGNYCP-OALUTQOASA-N	418.310	5.147	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc(=O)oc4cc(CC)ccc34)o2)cc1	768460982	FTDTWSJNCAMZBS-UHFFFAOYSA-N	420.490	5.263	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CC=C(c3cc(C)cc(C)c3)CC2)c1=S	769654195	MXCADWWWZJXPMS-UHFFFAOYSA-N	417.582	5.026	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccnc(Cl)c2)cc1	770410377	JZDIAMLTUROEDS-YFHOEESVSA-N	403.869	5.032	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)n1C	773258579	CBAQEPDKFJZHIF-QHCPKHFHSA-N	422.492	5.090	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NCc3ccc(OC)c(O[C@H](C#N)CC)c3)oc12	776164877	KYOOGHDEBDTMJP-APWZRJJASA-N	408.498	5.372	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccccc1O[C@H](C)C#N	780167258	ZEQGCDKROAILNA-SNVBAGLBSA-N	403.916	5.377	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc([C@H]3CCCOC3)cc2)cc1	780310357	YTUQBTWVNYVILB-HYVJGQCMSA-N	404.510	5.055	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl	787051909	VRMDVGRAIDZPRK-PEBVRCNWSA-N	423.727	5.337	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cn1	792865065	BATWXBLZTIGDJJ-XNTDXEJSSA-N	413.521	5.429	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)O[C@H](C)C2	797573330	QUNPVYAJINGFFO-HUHSQHJXSA-N	424.566	5.143	30	20	HKED	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3SCC#N)cc2Cl)C1	800572016	SERFEKUBGUKNDD-INIZCTEOSA-N	413.974	5.122	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	806368662	ZPPHFJYLHLVJPT-IBGZPJMESA-N	407.514	5.098	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Cl)cc1	810153727	KAFVRPWRQVADNE-SFHVURJKSA-N	409.898	5.150	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2C)no1	915199838	NOUGESRZFCARJD-HSZRJFAPSA-N	410.477	5.298	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1	916884343	BSEIIPAHBHTZTP-INIZCTEOSA-N	415.301	5.683	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(F)cc2)n1	916916491	UNRWANLENPBWRE-GOSISDBHSA-N	415.449	5.064	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(C)c(C)c3)n2)cc1	916975356	YLQDLLNZOHIWIR-HXUWFJFHSA-N	402.519	5.575	30	20	HKED	
CCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917025150	FIXKRMNBKVMFKZ-HXUWFJFHSA-N	402.519	5.602	30	20	HKED	
Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	917046116	FTRYTCIELVGJLB-DGCLKSJQSA-N	405.306	5.555	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccccc2Cl)c1=S	917484243	ZQTZOVGSDCKVRQ-IBGZPJMESA-N	411.962	5.110	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCC2CCCCC2)cc1	920111194	YPGZROJDDOMYCE-NRFANRHFSA-N	420.509	5.006	30	20	HKED	
Cc1cccc2[nH]cc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)c12	920367610	GBRAMZLRXQTGRO-UHFFFAOYSA-N	402.310	5.213	30	20	HKED	
Cc1ccc(CCn2c(CC3CCCC3)nnc2N2CCC(C)(C#N)CC2)c(C)c1	1361245380	NJAZDUWFYNYVET-UHFFFAOYSA-N	405.590	5.000	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1	1790205644	DFQIELLCKQUDTQ-UHFFFAOYSA-N	414.933	5.673	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sccc3OCC)CCC2)cc1	1791244533	UUVHCYBQTXXURE-INIZCTEOSA-N	412.555	5.107	30	20	HKED	
O=C(/C(=C(/S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccc(F)cc1F	10760454	FCXKRTMRINNZJN-UHFFFAOYSA-O	421.851	5.096	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(C(CC)CC)cc1	22797450	UDJRLINFHHONHK-UHFFFAOYSA-O	417.545	5.260	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccc(Cc2ccccc2)cc1	22805128	FXIURBULABKWLN-UHFFFAOYSA-O	417.598	5.120	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2cccc(Cl)c2)cc1	60705071	RUGDHTGBLSXZGH-UHFFFAOYSA-N	422.937	5.313	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1	110657538	XQDPBBLYPKRHNA-UYPHOHSBSA-N	422.513	6.052	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1	116859502	UWWCQOWZWLMQNE-HUUCEWRRSA-N	402.416	5.097	30	20	HKED	
Cc1csc(C2(NCc3cccc(OCc4cccc(C#N)c4)c3)CCCC2)n1	237939897	FGCAJEYGYRRNRC-UHFFFAOYSA-N	403.551	5.461	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1	303401103	RADBXNUEXFRWQV-PMACEKPBSA-N	402.416	5.154	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CSc2ccccc21	303674407	HJHPKEPOLHIWAK-NRFANRHFSA-N	400.503	5.274	30	20	HKED	
CN(CCCC1(C#N)CCOCC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1	410316951	PXDJWRUQWHJKAT-UHFFFAOYSA-N	414.553	5.072	30	20	HKED	
C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-c2ccncc2)cc1	428616628	AVRSRXPVHZIHJC-IBGZPJMESA-N	421.504	5.017	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(CC#N)cc1	430125783	UPHDHDFSPZRICE-UHFFFAOYSA-N	414.292	6.090	30	20	HKED	
COc1ccc(-c2nnc(S[C@H]3CC[C@@H](C#N)C3)n2C2CCCCC2)cc1OC	430132900	MXQFWXCKUFWKAZ-QAPCUYQASA-N	412.559	5.252	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c12	430629738	WXCIAZFSFYSMBP-AWEZNQCLSA-N	408.527	5.468	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	432304096	UZECAPQJSHCHDN-UHFFFAOYSA-N	424.426	5.515	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	432670858	PFGIBDYPWDQVTD-QHCPKHFHSA-N	415.541	5.611	30	20	HKED	
CC(C)(C#N)CCCCSCc1noc(Cc2ccc(Br)cc2)n1	435885560	LPNKRATXFHPFHA-UHFFFAOYSA-N	408.365	5.376	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C1CCCCC1	438051281	UZYPIRPZDHASLZ-IBGZPJMESA-N	407.583	6.448	30	20	HKED	
Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	438637737	BLDWLHRCKNXCSA-UHFFFAOYSA-N	424.426	5.688	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4cscn4)c3)n2)cc1	442867833	ZQDFMLRCWHRABP-SFHVURJKSA-N	417.515	5.432	30	20	HKED	
CN(C(=O)c1occc1COc1cccc(C#N)c1)c1nc2ccc(Cl)cc2s1	443858001	KGVSYCHSOFLDAN-UHFFFAOYSA-N	423.881	5.270	30	20	HKED	
Cc1oc(-c2ccccc2)c(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1C	446020988	NWMBOWVCODLVMF-GOSISDBHSA-N	409.283	5.321	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)CSCc1ccccc1	448372567	PEYNRQRRZVFSDA-GOSISDBHSA-N	417.534	5.562	30	20	HKED	
C[C@@H](C(=O)Nc1nc(-c2sccc2Br)cs1)c1cccc(C#N)c1	461951894	DGKZLECQSMMJML-SNVBAGLBSA-N	418.341	5.248	30	20	HKED	
CC(C)O[C@@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1(C)C	463961895	RBKAFADLVWCERF-XZOQPEGZSA-N	421.541	5.045	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2ccccc12	464803235	WXJAJLGOPMUGAS-HNNXBMFYSA-N	421.478	5.017	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Oc4ccccc4)ccn3)n2)cc1	466978319	YDCHXPHAODFDGG-FQEVSTJZSA-N	422.469	5.359	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c2ccccc21	469048770	QSBXRZKDDBXDGI-IBGZPJMESA-N	405.929	5.446	30	20	HKED	
Cc1cc2cc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)oc2cc1C	469356579	RVHNVMZTZDPCMW-GOSISDBHSA-N	401.510	5.806	30	20	HKED	
CCCc1sc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1CC	469950460	MTDOJHNTGGJPTO-UHFFFAOYSA-N	409.555	5.098	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(OCC(F)F)c(C(F)(F)F)c3)cc2)CC1	470217148	DZPBNHXCHQKWHI-UHFFFAOYSA-N	410.342	5.157	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3CC3CCCCC3)ccc21	470541407	HSDIUXNJLZDNLZ-QFIPXVFZSA-N	422.573	5.236	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H](c2ccsc2)O1	470792742	KQBXIQYUJMTCDS-ZHRRBRCNSA-N	419.506	5.406	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)cc1	470893900	ZGZCHKJXIVNVBX-IBGZPJMESA-N	413.502	5.039	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	471692568	LCXUEIFEUVJWAJ-NRFANRHFSA-N	415.537	5.510	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Cl)c1	471791878	WDMXWIPPUGSUGO-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1Cl	474974704	VOLMFWKXUMJTJS-UHFFFAOYSA-N	411.933	5.312	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)NCCc1cccc(Cl)c1Cl	476370201	PVGIVERMEJUREP-AWEZNQCLSA-N	422.381	5.158	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(c2nc3ccccc3s2)C1	477716341	KIKRKFAIAPPOJX-UHFFFAOYSA-N	418.440	5.120	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2ccc(C#N)c(F)c2)n1Cc1ccco1	478539623	GGDBVVRFZIZWEZ-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1	484974001	RDHXJPWPHLLSLE-UHFFFAOYSA-N	421.541	5.548	30	20	HKED	
N#CCCC[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccccc1	487450401	UJWGTXCKPVKDPH-OAQYLSRUSA-N	405.523	5.126	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1Br	487937594	ZDOLSPUQQSZULX-UHFFFAOYSA-N	421.298	5.123	30	20	HKED	
Cc1cnc([C@@H](C)Sc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)cn1	488245477	GFBKYSJVNGKKDZ-GFCCVEGCSA-N	404.417	5.492	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c1C#N	491016971	DCPXVJYVFHHVJD-QGZVFWFLSA-N	419.472	5.019	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	501619050	PIZICUMFMKTCAW-IIBYNOLFSA-N	419.550	5.271	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Oc2ccccn2)cc1	505238915	MZXMGTOAJXCZNW-UHFFFAOYSA-N	423.497	6.149	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	505450187	ZEIDUBOTTLTIBR-HNNXBMFYSA-N	418.305	5.371	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1sc2ccc(C#N)cc2c1C	505734993	ZAOGHDRBQQUKOW-INIZCTEOSA-N	400.507	5.448	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@@H](CC(F)(F)F)c1ccccc1	506904079	SPSDZJDWTPPZNG-AWEZNQCLSA-N	424.316	5.582	30	20	HKED	
C[C@H]1c2cccc(Br)c2CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C	507579303	KAVXXBQTGIRBMP-ZDUSSCGKSA-N	415.335	5.028	30	20	HKED	
N#CC1(CCCSCc2ccc(Oc3ccccc3F)c(F)c2)CCOCC1	507708497	MTSOBMVYPNDVRD-UHFFFAOYSA-N	403.494	6.091	30	20	HKED	
C=C(C)CCc1noc(CCc2nc(C)c(-c3ccc(Br)cc3)o2)n1	508614365	JXUXRJUAUJOXSL-UHFFFAOYSA-N	402.292	5.089	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCc2ccccc21	510022495	DESKQHCAJUCEOQ-VWNXMTODSA-N	415.924	6.147	30	20	HKED	
CCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N	510173275	SPIINFZEDHGVLZ-UHFFFAOYSA-N	401.535	5.476	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)cc1	510492626	RQYVXFSTVVUNSI-QHCPKHFHSA-N	421.541	5.028	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COc2cccc(F)c2)c1	510879348	QGJUNQSRODPOOJ-QGZVFWFLSA-N	420.509	6.051	30	20	HKED	
COc1cc(OC)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1Cl	513412479	AHPPIQULLSUMHV-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
N#Cc1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc2c1-c1ccccc1CC2	515622512	VZYRRNKHBKCGQS-UHFFFAOYSA-N	402.372	5.194	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1C(C)(C)C	516713805	KAZAUHUYKIBLFW-KRWDZBQOSA-N	417.538	5.247	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)n1	517346507	UOHPLCLDJQURCJ-UHFFFAOYSA-N	424.435	5.507	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	517604502	AVUWQLMCAMSKGN-QGZVFWFLSA-N	407.297	5.031	30	20	HKED	
Cc1c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)oc2ccc(Br)cc12	518123890	PEFQQDTTZLDXEM-UHFFFAOYSA-N	400.276	5.184	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccnc(-c3ccccc3)c2)cc1C	521156875	DNOOAAYTWNQJEI-UHFFFAOYSA-N	421.504	5.395	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc(C)nc21	522486870	YATIAFYEFDMACQ-CRAIPNDOSA-N	415.522	5.324	30	20	HKED	
CS[C@H]1CCC[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	522704676	KYSHLZZTJFTXAQ-UNMCSNQZSA-N	409.555	5.127	30	20	HKED	
C[S@](=O)Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1Cl	524545312	UKPKBKZLKCYYOW-NDEPHWFRSA-N	408.910	5.009	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)s1	524566299	QNTLYGVOKPLCCN-LLVKDONJSA-N	410.362	5.084	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	525538584	LUOBANIELSENJJ-UXHICEINSA-N	404.416	5.679	30	20	HKED	
C[C@H](C#N)CNC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1	532566546	MXHRSFSZQVFNNK-LLVKDONJSA-N	415.316	5.007	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1	533510628	KPSBTVPKIMIVSC-RTBURBONSA-N	404.539	5.230	30	20	HKED	
Cc1nc(NC(=O)CCCn2ccc3cc(Cl)ccc32)sc1SCC#N	535528663	MIQBPUQSSWTVMK-UHFFFAOYSA-N	404.948	5.094	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	535971596	GNOXVIURSODSAB-HOCLYGCPSA-N	416.616	6.194	30	20	HKED	
Cn1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(-c2ccccc2)n1	538033623	SJYGOKLLAIIRQB-UHFFFAOYSA-N	408.461	5.198	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	543473736	MDZVDAGDQONHGO-NVXWUHKLSA-N	404.539	5.154	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1	543886877	ZZDUTZZHSJWYQT-LJQANCHMSA-N	405.889	5.075	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc3c(c2)COC3)cc1Cl	544432049	XGWMSMPHKSMTAF-QFIPXVFZSA-N	402.881	5.207	30	20	HKED	
C=CCn1c(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)nnc1-c1ccco1	549623125	KVFNGYYISCGFRS-LJQANCHMSA-N	415.946	5.638	30	20	HKED	
CCCCOc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	551779334	ZLPICCYUQRFYAV-IBGZPJMESA-N	405.542	5.622	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N(CCC#N)c3ccc(F)cc3)c12	558139416	VDQFNADFNUWLBO-UHFFFAOYSA-N	420.488	5.388	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cnc1C(F)(F)F	559715009	UHIFTHKLJYUZPH-UHFFFAOYSA-N	405.376	5.020	30	20	HKED	
C=C[C@](C)(O)CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	564005266	DMHNIJFYATXHIS-VGSWGCGISA-N	417.336	5.050	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)N(Cc1ccccc1)c1ccccc1C#N	564061089	NAHUZQMILIDBDJ-HXUWFJFHSA-N	405.501	5.518	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCSCc1ccc(Br)cc1C#N	564103008	QUUMUSCWLLKKFZ-UHFFFAOYSA-N	417.372	5.590	30	20	HKED	
Cc1ccc(N(C)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)nc1	567198834	DZYBNVFCHGMLRP-UHFFFAOYSA-N	420.538	5.005	30	20	HKED	
C=CCCOCCCCC(=O)N1CCCC[C@@H]1Cc1ccccc1Br	567423088	AROFHYBHUASISL-LJQANCHMSA-N	408.380	5.136	30	20	HKED	
N#Cc1cc(F)cc(C2(c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)CC2)c1	577102718	WMACZBHNPNSJJT-MRXNPFEDSA-N	405.326	5.238	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1)c1ccccc1	584436052	NWJRBHWQGNOPDR-KRWDZBQOSA-N	416.868	5.817	30	20	HKED	
N#CCCCCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	588295298	YVUAFGHLHRDTMM-UHFFFAOYSA-N	406.433	5.037	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)cc1	603691059	XKPYJIPTRGNADA-QHCPKHFHSA-N	414.465	5.027	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1	603732861	BGUUKNGFHJCNBK-UHFFFAOYSA-N	401.413	5.071	30	20	HKED	
Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603764231	IYUFFXPBQGVODQ-UHFFFAOYSA-N	408.461	5.092	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccccc1C#N	609067405	YUHLACRAHPQCNW-OALUTQOASA-N	400.478	5.413	30	20	HKED	
C[C@@H](OCCCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1	609514393	VIRDYYHIDSTKOS-HXUWFJFHSA-N	414.505	5.443	30	20	HKED	
N#Cc1c(NC(=O)Cc2c[nH]c3ccc(F)cc23)sc2c1-c1ccccc1CC2	609642345	RPIXCCDSQSZNHH-UHFFFAOYSA-N	401.466	5.187	30	20	HKED	
CC(C)N(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(F)cc1Cl	609815618	YTCPTURDSKZGIF-UHFFFAOYSA-N	412.848	5.578	30	20	HKED	
CCN(c1ccccc1)S(=O)(=O)c1ccc(S[C@H](C)c2ccc(C#N)cc2)nc1	609825812	VARUNHFFBWFTJJ-QGZVFWFLSA-N	423.563	5.022	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1C(F)(F)F	610331156	PZRPEZPEQOCJRP-INIZCTEOSA-N	412.415	5.470	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C	611738114	SWOCLDQVOGUUSF-HXUWFJFHSA-N	420.962	5.268	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613347241	XUZMMUGSDDCLNW-LBPRGKRZSA-N	409.244	5.885	30	20	HKED	
CCc1nc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2nc1CC	613402884	JTIFAPPSYGVMAB-AWEZNQCLSA-N	420.925	5.508	30	20	HKED	
CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1	642281524	OGBNYUWJXIJCAX-ZDCBYCKXSA-N	419.550	5.059	30	20	HKED	
O=C(Nc1cc(Cl)ccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642436096	NCUZIAXNFRVWBD-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
CN(c1ccccc1)c1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cn1	679369327	UKDMWIMQCGOTGJ-KRWDZBQOSA-N	402.454	5.088	30	20	HKED	
O=C(/C=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccc(N2CCOC2=O)cc1	726743817	QBMGJLKJUXUSSE-LZCJLJQNSA-N	416.260	5.165	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1	728014574	PYDZGBPNWNQCRJ-UHFFFAOYSA-N	421.428	5.689	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1	728462724	RTCUFVOZOUZYQN-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)cc1	728767081	UNUQRDADOUADLC-MSOLQXFVSA-N	414.452	6.031	30	20	HKED	
CCOC(=O)c1ccc(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	729160584	WRBIURJUPVRYCW-UHFFFAOYSA-N	417.490	5.336	30	20	HKED	
N#Cc1cc(NC(=O)c2sc3cc(Br)ccc3c2Cl)ccc1F	729831087	QUYFZERCCPEUKO-UHFFFAOYSA-N	409.667	5.580	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)c1	730172115	KAZIXQJBGGTMDW-UHFFFAOYSA-N	418.396	5.468	30	20	HKED	
N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc2cc(F)ccc2s1	730420793	GLFMYIYDRXATHA-LLVKDONJSA-N	411.310	5.711	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1	731195553	KUYMCGMLQAXOIQ-MRXNPFEDSA-N	420.296	5.335	30	20	HKED	
C[C@@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	734698884	QQIUZQDJPYPWRU-YADARESESA-N	417.553	5.146	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(-c2ccncc2)c1	741474651	XXJHEYMSPNUZMN-FPLPWBNLSA-N	413.458	5.676	30	20	HKED	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	743124359	OGAGVBUWTFOXFI-UHFFFAOYSA-N	415.493	5.809	30	20	HKED	
CCCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	744030449	CFQIXYMCTAFCAT-OAQYLSRUSA-N	404.535	5.716	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1	744034018	YECSPFDMBJPYNK-MBVDDHJVSA-N	422.337	5.108	30	20	HKED	
CC(C)c1ncc(Cl)c(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)n1	744683876	SSMROMIALKAACV-UHFFFAOYSA-N	419.912	5.310	30	20	HKED	
Cc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c(C)c1	745724916	ZPHMSQPSMLQPSH-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	750679613	CPKTUHLNTKKBJO-KDOFPFPSSA-N	417.921	5.793	30	20	HKED	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	752208042	YAGARYXEHMAADB-HNAYVOBHSA-N	407.495	5.046	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	754296578	HNXUSJODRVTLAI-GOSISDBHSA-N	402.494	5.228	30	20	HKED	
Fc1cccc(Cl)c1CCC=Nn1cnnc1SCc1ccc(Cl)cc1	755592927	KQEAXQYRWNGRMS-UHFFFAOYSA-N	409.317	5.483	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)C1CCCC1	756545798	ACXPVXNOERMRML-UHFFFAOYSA-N	422.381	5.512	30	20	HKED	
Oc1nc(NN=C2CCC(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc12	761809437	DQKLXSIXPZZMLT-UHFFFAOYSA-N	400.404	5.480	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)cc1	772613007	USIYNJVUVZCAQU-UHFFFAOYSA-N	413.399	5.045	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1	773287937	WCLAMSVYZZPKBV-UHFFFAOYSA-N	419.909	5.170	30	20	HKED	
Cc1c([C@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C(C)C)oc2ccccc12	775410522	SHWOFNDFCWEDIO-YADARESESA-N	424.504	5.265	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1NCc1ccccc1)c1nc2ccccc2n1C(F)F	776081713	PJNBHRLQYIYPHU-SFHVURJKSA-N	416.431	5.534	30	20	HKED	
CSc1cccc([C@H](NC(=O)Cc2ccccc2CC#N)c2cc(F)ccc2F)c1	776964848	RCVSFIBWRPJBIR-DEOSSOPVSA-N	422.500	5.201	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Br)c(C)cc2C)c1	777001616	MSFYIEFOLWPGKV-INIZCTEOSA-N	416.319	5.069	30	20	HKED	
Cc1ccc(-n2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c(C(C)(C)C)n2)cc1	780153384	XIXIVYBVJRJMIM-QGZVFWFLSA-N	402.498	5.021	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN1CCC(C)(C#N)CC1	780782857	YFNKBRKIHNVNJS-UHFFFAOYSA-N	411.764	5.326	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NC(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CCC2	781050393	XJQXORBPFNJIKO-OAQYLSRUSA-N	418.472	5.074	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	784392230	MOARLECISXAMHU-AZUAARDMSA-N	401.432	5.249	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nccc2ccccc12	792093062	HJNCQLXJCWSQFJ-IBGZPJMESA-N	410.395	5.333	30	20	HKED	
N#C[C@H](C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)c1nccc2ccccc12	792107115	UOETWNCRWPUAIB-MBSDFSHPSA-N	421.903	5.431	30	20	HKED	
CC(C)(C)OC(=O)N1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)c2ccccc21	793552248	UNMXXHFDTHXHSS-FQEVSTJZSA-N	419.525	5.252	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C2(c3cc(F)cc(Br)c3)CC2)n1	797093938	MTMOUOMPUUXPSX-AWEZNQCLSA-N	407.308	5.076	30	20	HKED	
COc1cc(C)ccc1C(=O)/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1	797292567	QBBOJYJVXOIAAS-ACCUITESSA-N	405.881	5.805	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1C	798051008	XOINUMWCLJSEGZ-UHFFFAOYSA-N	415.449	5.398	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1	809257407	DDCCLXBCDKGFCE-LJQANCHMSA-N	413.905	5.244	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1	810222605	WZVADOUJRJKNEX-KPKJPENVSA-N	402.416	5.074	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc(Cl)sc2[nH]1	810533840	XHDCIMHLBALZGY-LLVKDONJSA-N	412.685	5.151	30	20	HKED	
C#C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1	812941350	HLFGGGKYCBCHCU-OAQYLSRUSA-N	421.859	5.227	30	20	HKED	
O=C(Nc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccs1	881450575	IHNRDILAPJOSMY-UHFFFAOYSA-N	423.497	5.048	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1	915086945	YPMYOELCUKFEPQ-RPBOFIJWSA-N	412.489	5.152	30	20	HKED	
C=CCN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(C)C	915148155	YPSJWLREIKTEGI-JXAWBTAJSA-N	421.522	5.558	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCOc2ccccc2F)cc1	915352273	GQJHLSXWELFEKG-OAQYLSRUSA-N	403.457	5.072	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc4ccccc4c3)c2)cc1	916025574	DAEBXHZLWVUHSQ-UHFFFAOYSA-N	423.541	6.294	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2ccc(F)cc2s1	916887532	PIEIMTIKZSXWNM-CQSZACIVSA-N	420.437	5.316	30	20	HKED	
N#C[C@H](C(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	916907632	ZISCCDXHJHLEDB-OAQYLSRUSA-N	423.472	5.240	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)o2)cc1	916915226	AJKVOTCOQVXQLW-OAQYLSRUSA-N	422.440	5.264	30	20	HKED	
C[C@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)N(CCC#N)c1ccccc1	917240677	OEDUATATCXMTPQ-INIZCTEOSA-N	422.868	5.092	30	20	HKED	
C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1	919064715	CTDTZWHKBFQCCW-UHFFFAOYSA-N	422.506	5.058	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3C(C)C)n2)cc1	920139319	RBMHISRSVUQMDQ-IBGZPJMESA-N	406.507	5.197	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806407	KTQMFKNKADZQQY-VXGBXAGGSA-N	418.852	5.385	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)cc3F)CCC2)cc1	1789457960	IFHOUYOPJNJBDU-HXUWFJFHSA-N	422.500	5.047	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1	1789730317	JFKPQGGBXNQJDW-LJQANCHMSA-N	423.944	5.251	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1	1790956468	IQWTWPCCKHLUGJ-UHFFFAOYSA-N	424.447	5.392	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S	23840596	GEZHCTJZWQGOLM-UHFFFAOYSA-N	417.991	5.172	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	32289339	AYKQGIPAODLNJL-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CC=C(c3cccc4ccccc34)CC2)cc1	58428358	PIQSJBKOGBWBQB-UHFFFAOYSA-N	411.505	5.077	30	20	HKED	
COc1cc(C(=O)/C=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)cc(OC)c1OC	60330725	STUISSUVEALKQC-SNAWJCMRSA-N	421.276	5.234	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1sc(-c2ccc(Cl)s2)nc1C	62905672	ROTFOEUSYYWFKA-UHFFFAOYSA-N	413.955	5.534	30	20	HKED	
C=CCc1cc(CNC(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)cc(OC)c1OC	65389249	FGKBFLUURSPDFU-KRWDZBQOSA-N	422.525	5.471	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)cc(Br)cc1OC	65798774	UHUOWZZTTYVVTR-UHFFFAOYSA-N	416.319	5.082	30	20	HKED	
Cn1cc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21	65851378	GNCNORODDNDEEQ-JOCHJYFZSA-N	413.908	5.668	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	78506197	LARDCNKNJCAWKA-UHFFFAOYSA-N	413.477	5.825	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1	303050461	XZIUBMZHMNTMEY-UHFFFAOYSA-N	401.304	5.290	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(OCc2ccccc2)cc1	303284646	VNTJLSQRXGMXAQ-FQEVSTJZSA-N	411.288	5.567	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccccc2Oc2cccc(F)c2)c1	303457086	KXMLTFYRHGBROJ-UHFFFAOYSA-N	404.441	5.677	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	303746313	ZVEDMHSJVMVSHM-SSEXGKCCSA-N	418.562	5.257	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F	429057132	WYWUPNXHEGVBQT-UHFFFAOYSA-N	403.404	5.655	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)c(C#N)c1	430529405	OBNXZILFXSKPCE-UHFFFAOYSA-N	418.255	6.035	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1nc(-c2ccccc2F)cs1)c1ccccc1	431926602	RZBNPLWUGVICEN-IBGZPJMESA-N	408.502	5.184	30	20	HKED	
N#CCCC[C@H](NCc1nc(-c2ccc(Br)s2)no1)c1ccccc1	433013396	XOLPRXZMGISJDG-AWEZNQCLSA-N	417.332	5.085	30	20	HKED	
CC1(C)CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[C@@H]1C#N	434028934	ZJQYBOATQXWSHL-QGZVFWFLSA-N	406.313	5.122	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	437786407	CEQFTHREQJRHDB-FGZHOGPDSA-N	416.456	5.317	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(F)ccc1Cl	437932013	ZJRLYVILBBPMJR-CYBMUJFWSA-N	408.951	5.745	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	445052689	HLISIICSRGORJG-LLVKDONJSA-N	407.927	5.095	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cccc(SCC#N)c3)n2)cc1	445275736	XUPFVKAOKJOPEP-HNNXBMFYSA-N	406.511	5.047	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1cc(Cl)sc1Cl	446089765	IFSFLHSPVJIIDX-UHFFFAOYSA-N	409.338	5.327	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N(Cc1ccc(F)cc1)CC(F)(F)F	460470757	JVGDIQDLJLZMAC-IAGOWNOFSA-N	419.340	5.539	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1cccc(F)c1	460960412	ROJMHBWVZLBSHH-HXUWFJFHSA-N	422.504	5.019	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)c1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1	463056662	VNIKXFKKUUPJLP-KRWDZBQOSA-N	424.460	5.067	30	20	HKED	
CCOc1c(F)cccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	463120184	OJHFEVDGBXIUTQ-UHFFFAOYSA-N	404.441	5.122	30	20	HKED	
Cn1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C2CC2)n1	463502536	RJIAXANTQRIKNK-UHFFFAOYSA-N	407.861	5.259	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464462850	POUDUGLKBFQTPH-NRFANRHFSA-N	423.438	5.222	30	20	HKED	
Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	464924298	CSJDHMSEGPGEQG-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
Cc1ccc(C[C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c2ccccn2)cc1	466021906	LJFZESFAHZONAU-RNXOBYDBSA-N	424.548	5.155	30	20	HKED	
COc1cc(CSCc2nnc(C(C)C)o2)ccc1OCc1cccc(C#N)c1	469042743	SFSFBIKIPVBJTG-UHFFFAOYSA-N	409.511	5.086	30	20	HKED	
C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1-c1ccc(Cl)cc1	470981543	CZVRZYXBWZUFFR-DYESRHJHSA-N	413.908	5.438	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1c(Cl)cccc1Cl	472345030	DMGQBIZZWRGXHE-CYBMUJFWSA-N	407.606	5.660	30	20	HKED	
Cc1nc(C2(NCCC(C#N)(c3ccccc3)c3ccccc3)CCCCC2)no1	472590107	DUOIBTBMJCYJAB-UHFFFAOYSA-N	400.526	5.027	30	20	HKED	
C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1(C)C	473622059	FYUPVXGVEKVMAD-KXBFYZLASA-N	424.928	5.371	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(COc2cc(Cl)ccc2C#N)cs1	474397233	PSCORBHGTQCTPB-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC	475551664	LDSGWSGWAWSWCJ-QFIPXVFZSA-N	408.542	5.925	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(-n2ccnc2C)c(F)c1	475554602	YAFOYAOEIAZKLV-UHFFFAOYSA-N	406.505	5.493	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	477699679	IORQPMUGQJAISY-GFCCVEGCSA-N	417.412	5.107	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1	478342306	MYHAUOPJZFTULD-CYBMUJFWSA-N	401.507	6.095	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cc(Cl)ccc1C#N	479579358	NABBAXPMFMVIKI-UHFFFAOYSA-N	401.853	5.347	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	480255679	BHYFXBMFSJCVNL-QRWLVFNGSA-N	405.889	5.012	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1	480557663	WTWAENVVDMCMFQ-MRXNPFEDSA-N	419.978	5.015	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)sc21	483482644	CHJJKUMFRNNXQN-GFCCVEGCSA-N	414.462	5.186	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1CN(C)c1ccccc1	483800646	HGHUFIDWDVDEQD-UHFFFAOYSA-N	419.525	5.019	30	20	HKED	
CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)Cc1cc(F)c(C(F)(F)F)cc1F	488866661	WLTZILFBIAZSDC-INIZCTEOSA-N	414.342	5.328	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	490293395	YQLRZHQUZWDCTR-UHFFFAOYSA-N	419.308	5.431	30	20	HKED	
CCn1c(SCC2(C#N)CC2)nnc1-c1cc(-c2ccccc2)nc2ccccc12	500772120	YCQSYTKAXULPRF-UHFFFAOYSA-N	411.534	5.576	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)s2)c(F)c1	501561343	KUKIVMSZVYCQGK-AWEZNQCLSA-N	415.515	5.336	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)n1	501579042	PKDXQGJUNOVRFI-SNVBAGLBSA-N	424.835	5.837	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	503196943	GTBPWCBUXYEITQ-HNNXBMFYSA-N	409.515	5.032	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	504561152	OIAURBIKOGDTRY-AWEZNQCLSA-N	408.832	5.935	30	20	HKED	
COCc1c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)sc2cccc(F)c12	505540663	QQUIEQUQUXJIBU-AWEZNQCLSA-N	423.296	5.488	30	20	HKED	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	505992507	QUEUNDRRDHVWED-CQSZACIVSA-N	423.369	5.106	30	20	HKED	
CN(C)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	510010379	PNLPOTOWPWROAX-CTNGQTDRSA-N	422.916	5.013	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2cccs2)C2CC2)cc1	511389798	FTODJYPPUNNMOP-HSZRJFAPSA-N	417.534	5.666	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1	513676541	GURLARXZQSRPPZ-AWEZNQCLSA-N	409.923	5.872	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	515133828	YVTYKVHVKGVBSE-QHCPKHFHSA-N	401.535	5.604	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CCc2ccccc2)CC1	518683220	MWFXQQWNFGJULQ-LJQANCHMSA-N	407.583	5.815	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1	521016069	DVHVYHKZRXLISV-HNNXBMFYSA-N	417.214	5.206	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(CC)o2)nc2scc(-c3ccccc3)c2c1=O	521959734	ROHIVDMQRCWQIC-ZDUSSCGKSA-N	424.551	5.110	30	20	HKED	
CCN(C)Cc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	522085413	HJOHMYQLQYNDBR-UHFFFAOYSA-N	414.509	5.124	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)Nc3nc4n(c3C#N)CCS4)c2)c(C)c1	522816946	HNFQBVADCQXVTL-UHFFFAOYSA-N	420.563	5.022	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)c2)cc1	523026747	IUZDYUXROFDJNQ-JOCHJYFZSA-N	401.466	6.093	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	523094234	BAFVTKJLGKYAKZ-OAHLLOKOSA-N	406.404	5.322	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)c2c(c1)OCO2	524388994	IQAQYLDUDXNLRZ-UHFFFAOYSA-N	420.852	5.080	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1	524665706	YSUUMEMBEUNRES-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
CC(C)c1ccc(-c2ncc(Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)s2)cc1	525629282	RFZAWWQAELSOQH-UHFFFAOYSA-N	419.937	5.822	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ncsc3-c3ccccc3)n2)cc1	527101122	CVFJIKMCMSVZKV-KRWDZBQOSA-N	417.515	5.432	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1F	534035761	XWZCPVKRLVWTIN-UHFFFAOYSA-N	408.404	5.474	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)c1ccc(Cl)cc1	537342169	CWCYGBICRHNJRT-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
CCCOc1ccccc1[C@@H](CC(C)C)NCc1nnc(-c2cccc(C#N)c2)o1	539378768	GSSOQBFKIHWZJQ-OAQYLSRUSA-N	404.514	5.274	30	20	HKED	
CCN(CCc1nccs1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541158728	KLTXMBAUBOUSHO-QGZVFWFLSA-N	404.539	5.017	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(-c2nc(Cc3c[nH]c4ncccc34)no2)cc1	545003085	GXHATITUPHNBLE-UHFFFAOYSA-N	411.396	5.007	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1Cc1ccncc1	546562728	HCSDVIYKCLNUFD-MRXNPFEDSA-N	404.539	5.052	30	20	HKED	
Cc1ccc(CN2CCSCC2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C	555657346	HUMJZEYKUFAJSP-UHFFFAOYSA-N	421.591	5.191	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(CC#N)cc1	560158630	YHSLBUXWRYNPLH-UHFFFAOYSA-N	400.322	5.062	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c2ccccc21	561038690	AYJLXJNRNRQKRN-DEOSSOPVSA-N	421.491	5.647	30	20	HKED	
Cc1noc(C)c1C(C)(C)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	561461221	LOKMHERMFJAWDQ-UHFFFAOYSA-N	409.873	5.274	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(C)c1	562108867	LTGZTZGHPSTTMN-SFHVURJKSA-N	400.482	5.587	30	20	HKED	
N#CCCC[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccccc1	569679605	OQZDUEPOOKWOLG-DEOSSOPVSA-N	417.940	6.117	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCc3cccc(OC)c32)cc1	575076340	ODNUWJFPAXHHOY-HXUWFJFHSA-N	414.461	5.036	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(F)(F)F	589008561	LIXDVSMIOJVIHB-HNNXBMFYSA-N	415.415	5.209	30	20	HKED	
C[C@H](c1ccccc1)n1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1	590411484	MNICHWAKBFSXLN-GOSISDBHSA-N	424.529	5.401	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CC1	601182543	UEBZALBFPOWTDD-HSZRJFAPSA-N	403.526	5.094	30	20	HKED	
Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cnn1-c1ccc(F)cc1F	603968580	CWKUWTJUJSOEHS-UHFFFAOYSA-N	420.444	5.311	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)c1	603972324	MXGUBZXTXHLVPN-UHFFFAOYSA-N	422.488	5.474	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)Nc4ccc(C(C)(C)C#N)cc4)CC3)c[nH]c12	604084915	PRGDKVJOHMJHRT-UHFFFAOYSA-N	414.553	5.943	30	20	HKED	
CC(C)(C)[C@H]1CCc2sc(-c3nnc(SC[C@H](C#N)CCC#N)o3)cc2C1	608861739	OURQYBNCHKDIMU-ZFWWWQNUSA-N	400.573	5.485	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCc2ccccc21	609056894	WQWFKDNKMZMOJZ-HSZRJFAPSA-N	400.478	5.270	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)cn2)cc1	609139295	VZQUHXJIQHFLIT-XMMPIXPASA-N	421.460	5.052	30	20	HKED	
CCCCOc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1	609206923	BALHELDMLNNRGR-UHFFFAOYSA-N	407.514	5.121	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2cccc(Cl)c2)CCOCC1	609376668	GKULBGSZBICSOH-INIZCTEOSA-N	414.958	5.279	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2ncccc12	609378476	KQTNXPPUOOYVAA-UHFFFAOYSA-N	401.413	5.512	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	609435254	ASRHCTUZOURGLM-ZIAGYGMSSA-N	407.461	5.982	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C#N	609504099	UKTZVKQJCSBUHT-UHFFFAOYSA-N	401.491	5.601	30	20	HKED	
CC1CCC(OC2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)CC1	609989668	UDJCKLPZYDFQOP-UHFFFAOYSA-N	417.553	5.502	30	20	HKED	
C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1cccc(C#N)c1	610362460	DBRXRXDTYYXPKV-KRWDZBQOSA-N	411.480	5.656	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)c1	611802129	JDPJWUPENACDOX-SFHVURJKSA-N	417.896	5.104	30	20	HKED	
CC(=O)c1cccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	611871749	BTMPZHZDOPEWIY-QFIPXVFZSA-N	418.880	5.216	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)c(F)c1	612606710	TUQUSZXVCJHINK-UHFFFAOYSA-N	417.065	5.088	30	20	HKED	
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1	613848519	JJSMSZRKPHXBIN-GOSISDBHSA-N	415.493	5.386	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)sc2nc(C(F)(F)F)ccc12	614381662	UOKBWSJBUGUKPF-LLVKDONJSA-N	417.437	5.723	30	20	HKED	
Cn1c(COc2ccccc2Cl)nnc1S[C@@H](C#N)c1ccc(Cl)cc1	619863807	GQECDVPZULWNPJ-INIZCTEOSA-N	405.310	5.058	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1C(C)(C)C	672758965	NOGFNOLLGQSIMQ-UHFFFAOYSA-N	402.970	6.025	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccccc1	676472876	KUPUHCTZKWOBCQ-JOCHJYFZSA-N	416.525	5.333	30	20	HKED	
Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1C	726571118	DXRITDBZWLBDLP-UHFFFAOYSA-O	420.945	5.439	30	20	HKED	
CSc1cc(C2=NNC(=Nc3ccccc3C(C)C)SC2)ccc1NC(C)=O	727172000	GWAZJPVFGRCNSJ-UHFFFAOYSA-N	412.584	5.219	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)ccc1SC	728156619	KMIHWKRICSFXAN-XVNBXDOJSA-N	416.392	5.516	30	20	HKED	
COc1cc(CNCc2ccc(OCC#N)cc2)ccc1OCc1ccc(Cl)cc1	729685443	URRXKHMFIWUUII-UHFFFAOYSA-N	422.912	5.120	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccc2c(c1)OCO2	730994670	LBJQLXOJYSAYCI-CLTKARDFSA-N	420.412	5.092	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	733622724	YDXOUYPARCTKLN-JOCHJYFZSA-N	414.465	5.554	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(F)cc3Cl)n2)cc1	733680314	ZPNRRYNEVQDQRT-XJKSGUPXSA-N	414.889	5.555	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2sccc2C)cs1)c1ccc(F)cc1F	733749800	ZPFIDKHNTBSABS-GQCTYLIASA-N	404.463	5.372	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1	733793360	XJWPNSXWQACQKS-HXUWFJFHSA-N	415.449	5.119	30	20	HKED	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1ccc(SCC(F)(F)F)cc1	741843771	PZEYROFPJGNHDC-KMKOMSMNSA-N	407.457	5.074	30	20	HKED	
Cc1csc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)n1	743092808	DQBUXDGTHWDVRZ-SFTDATJTSA-N	402.523	5.380	30	20	HKED	
CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Nc2ccccc2)cc1	744401210	AWIINKOVIAUDGG-UHFFFAOYSA-N	409.493	5.767	30	20	HKED	
Cc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1F	745724765	WLRAFXGZIQIPQX-UHFFFAOYSA-N	407.489	5.857	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Oc3ccccc3)ccn2)cc1	745948257	YFLMOSLKEADVCI-HTAPYJJXSA-N	413.477	5.349	30	20	HKED	
CCCCOc1ccc(C=NOCc2coc(-c3ccc(Cl)cc3)n2)cc1OC	749256719	YLWLERCZASIARS-UHFFFAOYSA-N	414.889	5.733	30	20	HKED	
N#Cc1ccccc1N1CCC(NC(=O)CC2CCC(c3ccccc3)CC2)CC1	749529217	AJULLEKSRZFJEW-UHFFFAOYSA-N	401.554	5.007	30	20	HKED	
C/C(=C/C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccccc1OC(F)F	753198043	UYOUOLVOYWMQIL-UVTDQMKNSA-N	424.369	5.154	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccccc4C#N)nc(O)c23)cc1	755578502	DYJRTUJSISLVOA-ZDLGFXPLSA-N	403.894	5.981	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)n2)cc1	755633615	DAWWAMNGFYLZTE-KWRJMZDGSA-N	419.462	5.007	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1OC	756113911	IHUFTNXVTUKPKC-JICACKBISA-N	414.571	5.381	30	20	HKED	
C#CC[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)c1ccccc1	756776379	OKXBMHGSUNVMPA-SJCJKPOMSA-N	423.148	5.332	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21	758240908	DFCLVVXFFBJXCX-LPHOPBHVSA-N	407.539	5.649	30	20	HKED	
Cn1cc(-c2ccccc2CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cn1	759623494	WRQNSHGGABOJCQ-RUZDIDTESA-N	421.504	5.064	30	20	HKED	
CC[C@@H](OC1CCCCC1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	761047944	LCFTVZKSLIDXIY-GOEBONIOSA-N	410.461	5.619	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1noc(-c2ccccc2)n1	761617376	DTZHAFOMQAGZBG-VGOFRKELSA-N	423.476	5.275	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2csc(Cl)c2Cl)cc1	761778520	VCBOTAUCJTUFEE-UHFFFAOYSA-N	403.747	5.474	30	20	HKED	
O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc(Br)ncc1F	762424674	IXGBYNSMHDVDKR-XQRVVYSFSA-N	417.190	5.048	30	20	HKED	
CC(C)(C)CC[C@@H]1NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O	771814943	BXQOGBFEIAVBJD-QUCCMNQESA-N	409.917	5.247	30	20	HKED	
N#C[C@H]1C(CN[C@H](c2ccc(Cl)cc2)C2CCC2)=CC(=O)n2c1nc1ccccc12	775377980	HBCHLPMAFPQTMT-CVDCTZTESA-N	416.912	5.008	30	20	HKED	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	775986432	RRENJHCVYPHBGF-BSDZUQITSA-N	417.484	5.379	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1Br	780156902	GXYJOTMQIAUGIX-JTQLQIEISA-N	413.193	5.011	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Cl)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	780314078	VMKZQOYBTXPFPD-LLVKDONJSA-N	408.697	5.655	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1)c1ccccc1	788352941	WOSXYDXIWQLCHI-UZLBHIALSA-N	418.880	5.441	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)s1	790004569	AFVYXCHPLSAPAG-UHFFFAOYSA-N	420.888	5.761	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccccc1	799379065	AWMLZSZSFODMTO-TZIWHRDSSA-N	415.578	5.030	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	801644640	FPRULALNKIOXRC-JLTOFOAXSA-N	421.394	5.099	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1	801665149	HUKCKROLQNCUKC-IBGZPJMESA-N	420.406	5.169	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	802042498	RUQJHSDEJUHCCT-IUKKYPGJSA-N	418.537	5.490	30	20	HKED	
Fc1ccc(NN=Cc2ccccc2OCc2ccncc2)c(Br)c1	914695488	XSYZQBIXIMBWDV-UHFFFAOYSA-N	400.251	5.008	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC3CCC3)C2=O)c1	915116772	OXGNILZFLPVSSF-NRFANRHFSA-N	421.566	5.064	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1	915200323	YUBUENANMVGFEF-JOCHJYFZSA-N	402.881	5.597	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1F	915353939	ZUGSFQDTJNLMOO-KKSFZXQISA-N	403.457	5.372	30	20	HKED	
Fc1ccc(CNN=Cc2cn(Cc3ccccc3)nc2-c2cccs2)cc1F	915975359	SVJSEFPIXDXGKZ-UHFFFAOYSA-N	408.477	5.062	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccccc2OC(F)F)cc(Br)c1O	916140314	LPDHQRYNZIGLIS-BQYQJAHWSA-N	413.214	5.051	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2)c(OC)c1OC	916153582	UMCAXAKERQWUJQ-PTNGSMBKSA-N	404.462	5.188	30	20	HKED	
CCCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2cccs2)cc1OCC	916313936	HZQVLTXUVPSODD-UHFFFAOYSA-N	422.963	5.018	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1	917042183	DEDITLQFVCTYEV-ZDUSSCGKSA-N	408.832	5.778	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917045215	WUXHQEHBSBCADU-PWSUYJOCSA-N	424.234	5.382	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=S)Nc1ccc(Oc2ccccc2)cc1	917594334	NQQVEEQEUVWJHR-UHFFFAOYSA-N	404.535	5.873	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	920782593	BEMSFUHMPMFWSV-DEOSSOPVSA-N	413.521	5.841	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccccn3)CCC2)cc1	1789455457	UJCWWWQKTMLHLY-KNQAVFIVSA-N	417.553	5.088	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3(C(C)C)CCC3)CC2)C1	1804865974	DJZNRMCIUWPYMK-UHFFFAOYSA-N	402.623	5.036	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1824140695	DDKFHAZIOJLIAJ-OAQYLSRUSA-N	414.615	5.058	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1	1831367127	FPNVAWJZJLCLHQ-PGRDOPGGSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(SCC(=O)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1	6071347	CFWJSLOUVJXFII-UHFFFAOYSA-N	405.857	5.038	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1OC(F)F	25791311	PTTZWAMKQXGFAU-OAHLLOKOSA-N	424.472	5.802	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1	46244282	PKDZWWNVWIEVBU-UHFFFAOYSA-N	418.456	5.125	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	55823981	LRTYGPGEBNPMCB-IEBWSBKVSA-N	416.443	5.639	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3cc(C)cc(C)c3C2=O)cs1	63411770	QHJIVDXQTLKPCP-WQRHYEAKSA-N	418.518	5.412	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(C)Cc2cc(Cl)cc(Cl)c2)c1=S	97507014	QNRJVTVVEJCEKG-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	149520383	FCMRLQSWWQZJSI-SFHVURJKSA-N	402.469	5.288	30	20	HKED	
COc1ccc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)cc1OCCCC#N	237295953	RAEWQXVNOBFZSN-KRWDZBQOSA-N	407.539	5.352	30	20	HKED	
C[C@@H](NCc1cccc(OCCCC#N)c1)c1cccc(NC(=O)c2ccccc2)c1	237334902	QFGFBKQGGMYCBR-HXUWFJFHSA-N	413.521	5.472	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2ccccc2Cl)n1	303106082	AAANKXHVMRWACT-UHFFFAOYSA-N	413.886	5.200	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCSc1ccccc1	303197761	NQCFBDFFLRDPFK-UHFFFAOYSA-N	417.534	5.360	30	20	HKED	
CC(C)(C#N)CCCCN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1	428805683	NSVQIGDITVHQIE-VWLOTQADSA-N	404.602	5.268	30	20	HKED	
N#CCSc1cccc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c1	429864763	WSUBEJSSUIBJTN-UTTDKNERSA-N	410.542	5.329	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	429943248	FPYRPWGZGWDFDC-OAQYLSRUSA-N	417.921	5.863	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c(Cl)cc(F)cc2Cl)cc1F	431814838	ZBGWLOMLTQOAQH-UHFFFAOYSA-N	419.214	6.188	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1	432768047	JPSLHNXOPBAUDF-HSZRJFAPSA-N	418.541	5.306	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1	433975441	GHPGGXZSDHBJIF-AWEZNQCLSA-N	406.473	6.173	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@](C)(CCc2ccccc2)C1	435133510	BOZJIPHSNGUOHC-CYFREDJKSA-N	407.583	5.815	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1	437416112	WFJYHKVLYGTDOO-AQYVVDRMSA-N	416.521	5.666	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1[N+](=O)[O-]	437463482	SZPSXPNLAKZFKV-UHFFFAOYSA-N	421.384	5.049	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCCCC(F)(F)F)cc2Cl)c1	437950342	FEXMVKZURZGFIX-UHFFFAOYSA-N	411.811	5.255	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(N(C)c2ccccc2)CC1	438640892	IYMGWWJGZJCHCW-SFHVURJKSA-N	408.571	5.214	30	20	HKED	
Cc1nc(NC(=O)c2ncc(C#N)cc2Cl)sc1Cc1cccc(Cl)c1F	447186546	NGRPNPPHCWBPLY-UHFFFAOYSA-N	421.284	5.007	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1	465429093	GYRSMZBQTXEKGD-BEVDRBHNSA-N	401.432	5.248	30	20	HKED	
N#C[C@H](C(=O)c1cc(Oc2ccccc2)ccn1)c1nc2cc(Cl)ccc2s1	466987339	QEEMMPDLFVGCOS-MRXNPFEDSA-N	405.866	5.627	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1	471176097	FFKDQUXHGLNJFY-UHFFFAOYSA-N	412.555	5.013	30	20	HKED	
Cc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccn2)cc1	471283543	SLEDMSKOYLNTML-MBSDFSHPSA-N	416.550	5.553	30	20	HKED	
Cc1c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cccc1NC(=O)N(C)C	471334971	GHSFHFVKFGSFGW-UHFFFAOYSA-N	414.465	5.005	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)o2)c1	471635214	NDIVBOHCJBRLIH-UHFFFAOYSA-N	411.396	5.023	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1	475570990	KQVHVYXVZPCPBR-NRFANRHFSA-N	400.563	5.121	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	475599198	BBJIBEONWJBLRA-DEOSSOPVSA-N	409.489	5.061	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(COc2ccc(C)nc2)c1	476124381	YPCIAKJITHSCOE-UHFFFAOYSA-N	400.522	6.073	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(-c2cccnc2)cc1	476458300	MBGXIFPKJHUEIE-PNTFMKQHSA-N	410.521	5.291	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1F	478730762	DCGCWAZNULHCCK-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1	479709645	WLRLURQMGYVMSV-QGZVFWFLSA-N	413.587	5.453	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OC3CCC3)c(F)c2)c1	480160348	GIGYXWWGOPYXIK-UHFFFAOYSA-N	406.413	5.053	30	20	HKED	
C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(Br)cn1	482966402	VUIJTEXUQUXIDX-SFHVURJKSA-N	420.354	5.395	30	20	HKED	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	483444783	XQLMQFIEXRACQQ-QGZVFWFLSA-N	413.477	5.131	30	20	HKED	
Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)C[C@H](CC#N)c3ccccc3)c12	484208581	YTBYEHFFVHLMQE-QFIPXVFZSA-N	423.520	5.123	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1nn(-c2ccccc2)c2c1CCC2	486124011	NVPKSRZXLDGGOD-UHFFFAOYSA-N	407.477	5.032	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3NCC(F)(F)F)c2)cc1	486137678	XRCVUNCLRGMUQC-UHFFFAOYSA-N	411.383	5.577	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc3c(F)cccc3[nH]2)cc1	488029495	UQEWCIQYFKWADH-UHFFFAOYSA-N	401.416	5.160	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccccn1	488908835	LGIJYIUTWSEQMW-IAGOWNOFSA-N	421.570	5.159	30	20	HKED	
N#CCc1ccc(NC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1	494783175	FSBJVJITUZYUAS-QHCPKHFHSA-N	419.912	5.486	30	20	HKED	
N#C[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1c(Cl)cccc1Cl	499836673	VNPLQAKVXPMJDJ-LJQANCHMSA-N	411.288	5.491	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1c(Cl)cccc1Cl	499865063	VDJCYFUKZBKJAB-ZDUSSCGKSA-N	406.250	5.111	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1	500218990	KFVBLEAVWHHSEU-UHFFFAOYSA-N	413.264	5.567	30	20	HKED	
CC(C)[C@](C)(C#N)NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1Cl	501532168	MQYOCQCVPNVPLB-NRFANRHFSA-N	413.930	5.050	30	20	HKED	
CC1CCN([C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)CC1	502912522	CSOJJFZKJDFBCK-QHCPKHFHSA-N	404.558	5.082	30	20	HKED	
C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1	503955467	GJEIOPJUYSNUMA-FQEVSTJZSA-N	420.512	5.209	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	505455585	NTTKNWUTCYBPCB-LBPRGKRZSA-N	408.335	5.733	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	506234684	SEAPBAZHHBZFFE-OAHLLOKOSA-N	423.494	5.050	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)c4ncccc34)s2)cc1	509133379	XYFUZQGTEKISTQ-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)cc2s1	509555574	ALJMQDNUQXKSCQ-CQSZACIVSA-N	412.584	5.299	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C#N)c3ccc(F)cc3)cc12	511710678	VOTYJEKAPWRGSJ-GOSISDBHSA-N	424.888	5.183	30	20	HKED	
F[C@H](c1ccc(C(F)(F)F)cc1)c1noc(C[C@H](c2ccccc2)C(F)(F)F)n1	512056521	IXRYWSFZAVRWLW-GDBMZVCRSA-N	418.312	6.036	30	20	HKED	
COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccccc1Sc1ccccc1C#N	512351640	CQLJDBFNBSNNMV-FQEVSTJZSA-N	418.493	5.274	30	20	HKED	
C[C@H](NCc1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1F	512649870	VGDKCOMZTSXJJR-JTQLQIEISA-N	401.201	5.329	30	20	HKED	
Cc1cc(OC(F)F)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	512943192	LYWTXVWUUWBOHB-LBPRGKRZSA-N	424.881	5.925	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1	518239953	OXPWZGAGDFPVOA-OAHLLOKOSA-N	423.563	5.855	30	20	HKED	
Cc1cc(OCCCC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1Cl	518661838	IAGUZPIHVKBUNU-HNNXBMFYSA-N	402.947	5.698	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCCSCc1ccccc1C#N	520154285	RMPZNQJJQRWXBE-HNNXBMFYSA-N	421.488	5.213	30	20	HKED	
CCC(=O)Nc1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1	521207772	MTNVJIARJXNEFX-UHFFFAOYSA-N	412.921	5.250	30	20	HKED	
CC(C)Cc1ccc([C@@H](C)NC(=O)CNc2ccccc2SC[C@H](C)C#N)cc1	521726753	NXELUJFMZZNROS-RTBURBONSA-N	409.599	5.426	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	521953583	HVIZOSQCYVNBAB-QGZVFWFLSA-N	401.466	5.024	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1	537156033	PZFXHCZEKFOYIZ-SJORKVTESA-N	417.509	5.122	30	20	HKED	
COc1ccc(CNc2nc3ccccc3n2C2CCCC2)cc1OCCCC#N	538610131	KLUKSAZTQDCNJN-UHFFFAOYSA-N	404.514	5.455	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccccc1CCC(F)(F)F	538661834	LQUDCFRHXHESPS-UHFFFAOYSA-N	410.395	6.098	30	20	HKED	
N#CC1(CCCSc2nnc(Cc3ccccc3)n2C2CCCCC2)CCOCC1	539709612	IDXQSGCMSYRYKC-UHFFFAOYSA-N	424.614	5.567	30	20	HKED	
CC[C@@H](C)Cc1c(C)sc2nc(SCCCC3(C#N)CCOCC3)nc(O)c12	539713502	CXAYBKBWBICXSX-CQSZACIVSA-N	419.616	5.487	30	20	HKED	
CC(C)COc1ncc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1Cl	541200528	RRNUBCBTMNUIMQ-ZDUSSCGKSA-N	418.831	5.005	30	20	HKED	
Cc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542018480	YFPXFMLRSFLHLK-OALUTQOASA-N	408.505	5.996	30	20	HKED	
COc1ccc(-c2ocnc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	558238898	LNLSROQUZNYFKH-AWEZNQCLSA-N	409.854	5.103	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	560641232	SINGUFPIEIFGMJ-UHFFFAOYSA-N	423.532	5.258	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C	561031771	PCKBBWWIDRQQTG-UHFFFAOYSA-N	411.461	5.141	30	20	HKED	
N#CC1(CNC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1	562395917	LESIXAWCYMIAMN-UHFFFAOYSA-N	402.317	5.026	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1	566822588	QWAHFPGTCCPSPR-IFMALSPDSA-N	414.530	5.360	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1	573945370	AQKMNFYPUMYFMK-UHFFFAOYSA-N	406.482	5.483	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](Sc3nnc(-c4ccccc4)c4ccccc34)C2=O)cc1	589722523	PDYYJMFRZYHMTC-JOCHJYFZSA-N	422.513	5.066	30	20	HKED	
Cc1c(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)sc2ccc(C#N)cc12	590033327	XWXZALZEQPJHHM-UGKGYDQZSA-N	404.535	5.321	30	20	HKED	
C=CCOc1cccc(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1	592849392	IVXOSCIQIDDGHS-UHFFFAOYSA-N	413.543	5.016	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2cc(F)ccc2s1	592974128	OMFAJMNFESOQSM-SFHVURJKSA-N	421.497	5.444	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)c1	603727185	WKJOHMZAUFTTGH-UHFFFAOYSA-N	424.323	5.260	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	603968650	HGVVUXLVHCOYQP-UHFFFAOYSA-N	423.563	5.894	30	20	HKED	
O=C(Nc1ccc(F)cc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608330999	SKVVHNCRYFYYMV-YUMQZZPRSA-N	424.263	5.022	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c4c(cccc24)CC3)cc1C	608878552	YHVUQOCXNJPOMX-UHFFFAOYSA-N	420.516	5.585	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cccnc2SCc2c(C)noc2C)c1C#N	609032802	GWFHXSVVGKSOKT-UHFFFAOYSA-N	412.540	5.035	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2c(c1)CCC2	609378505	LPYOMUQHECWFNO-UHFFFAOYSA-N	404.457	5.381	30	20	HKED	
N#C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1Br	609593882	LSGYWWOMKSMWMZ-JOCHJYFZSA-N	419.322	5.352	30	20	HKED	
C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(C#N)cc1	609813598	PGPJSJJIXMZFJN-IBGZPJMESA-N	417.582	5.037	30	20	HKED	
C[C@@H](c1nnc(S[C@H](C)c2ccc(C#N)cc2)n1-c1ccccc1)N1CCCCC1	609813824	WDNKKIJMVGYPJE-RBUKOAKNSA-N	417.582	5.539	30	20	HKED	
N#Cc1c(NC(=O)c2cc(O)nc3ccc(F)cc23)sc2c1-c1ccccc1CC2	609968934	CKWKHGJZSXPGGI-UHFFFAOYSA-N	415.449	5.031	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CCO)c3ccccc3)cc2Cl)cc1	610141025	CBNQYJSLDSZRLF-OAQYLSRUSA-N	421.884	5.249	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2Cl)cc1	610225336	MYEBYIGCYSIQSA-UHFFFAOYSA-N	407.813	5.093	30	20	HKED	
Cc1cccc2c(=NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(C#N)c[nH]c12	610246262	YFSQVYZHBRFGDU-STQMWFEESA-N	401.354	5.158	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(CCCO)c2)cc1Cl	611618885	UGCFRNOJTRNTDH-UHFFFAOYSA-N	406.869	5.181	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(Cc3ccc4ccccc4n3)no2)c2ccccc21	612894139	RXGPHQZJQYCESG-QBFSEMIESA-N	405.461	5.247	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(C)C	612894631	CQBYUMWWCUJKQJ-LJQANCHMSA-N	420.534	5.652	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCC	613392533	SBQXCHXRGMWGFC-GOSISDBHSA-N	406.507	5.488	30	20	HKED	
CCCc1c(NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)cnn1-c1cccc(C#N)c1	615270666	XBQYJGFJDWAGPI-QHCPKHFHSA-N	413.525	5.311	30	20	HKED	
O=C(N[C@H]1CCc2cc(F)ccc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	619388807	IWMQGZKINVTZQG-MDHDOXDCSA-N	412.349	5.022	30	20	HKED	
N#CC1(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CCCC1	670845069	OMCRDPGQRXGXCS-UHFFFAOYSA-N	412.514	5.096	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nc2ccccc2o1	673812220	RVKBJXPBMPROOP-CYBMUJFWSA-N	413.380	5.460	30	20	HKED	
Fc1cccc(Br)c1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684367582	RUEBGLAOJSPHAS-MYJAWHEDSA-N	422.182	5.587	30	20	HKED	
COc1cc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)ccc1SC(F)F	727267280	SALOJCMERMNQPY-HJWRWDBZSA-N	403.475	6.030	30	20	HKED	
N#CCOc1ccc(CNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc1	727677082	MWJNWZBFWXBGGM-UHFFFAOYSA-N	424.831	5.406	30	20	HKED	
Cc1ccc(C)c(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	728052379	CNHWXSRSBXCYBF-UHFFFAOYSA-N	419.912	5.458	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)c(Cl)c1OC	730433740	IYYBRTWTQYTWLZ-UITAMQMPSA-N	400.780	5.194	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1sccc1SC(F)F	730495463	PZTJPRJHMPYKKN-UHFFFAOYSA-N	403.344	5.969	30	20	HKED	
N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2ccccc2o1	731137050	XVHOQFJMZXNLAF-HNNXBMFYSA-N	415.312	5.339	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC	733229648	FTSLDSLDYRAPAT-QFIPXVFZSA-N	406.526	5.354	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)NCc3cccc(O[C@H](C#N)CC)c3)oc12	733800187	UWTBGXNTULYDRI-APWZRJJASA-N	421.497	5.073	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc(-c2ccncc2)cs1	734083383	OMANEOLDSGDHNI-OAQYLSRUSA-N	417.534	5.336	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)c1ccncc1	734678162	FDCZCISSDUJCOK-RBUKOAKNSA-N	400.320	5.008	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1	735438463	ZYDJZPZZQLZKON-QPEQYQDCSA-N	421.456	5.559	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C	737001272	YJBUKZLBUPZQNP-UHFFFAOYSA-N	409.530	5.274	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cs1	738752060	ABNHNLXSTCVYQC-OAHLLOKOSA-N	407.495	5.213	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1F	743036963	PGHYBBXOSPOWIH-UHFFFAOYSA-N	407.426	5.027	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)c1	744027304	PKLOMAPPCVKQRY-HXUWFJFHSA-N	416.477	5.214	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	747107315	BWLMSORUMATSEX-GOSISDBHSA-N	408.816	5.233	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	748833467	CGXMJQIGYAKBRA-IPMKNSEASA-N	416.502	5.300	30	20	HKED	
Cc1noc(C)c1[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	750397567	OIHSAPDOGWFCPM-LKFCYVNXSA-N	420.321	5.702	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1ccc2ccc(Cl)cc2n1	752039637	QRXBCUJHKJTXMA-YZYJIWTQSA-N	401.897	5.200	30	20	HKED	
CC(=O)Nc1ccc(C(C)=NOCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1	755817415	YEXKUOUVUQZPGD-UHFFFAOYSA-N	417.387	5.260	30	20	HKED	
C#CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1	757779953	YZBRCKQIEPJAPI-VWLOTQADSA-N	411.480	5.174	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2nnc(-c3cccc(F)c3)o2)cc1F	760455934	FYAZXTKNEYYTSA-UHFFFAOYSA-N	404.376	5.291	30	20	HKED	
N#Cc1ccc(CN[C@@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)cc1	765011420	MITXRGVAJQOTOE-GOSISDBHSA-N	424.367	5.611	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)n1	766385335	WBSVGEBCIAADEK-NVXWUHKLSA-N	419.591	5.116	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)cc1	766843885	MTCAINUFAQXESP-BZUAXINKSA-N	423.419	5.079	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(OCC#N)cc1	772957868	CBGWFMTUJGJQKO-RTBURBONSA-N	404.485	5.719	30	20	HKED	
CSc1cccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2cc(F)ccc2F)c1	776163959	XDBVKYVQWILIBD-FYSMJZIKSA-N	424.516	6.029	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1cc(F)cc(Br)c1	776959330	WZWKMHGBHCZKPI-MLGOLLRUSA-N	420.282	5.152	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1	777323818	MWNHHLRETWWXLM-DLBZAZTESA-N	413.543	5.099	30	20	HKED	
N#Cc1cc(Cl)ccc1COC(=O)COc1ccc(C2SCCCS2)cc1	780040019	RLCUJHXHLFSUKV-UHFFFAOYSA-N	419.955	5.203	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccc(F)cc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	783071104	ZMLWOVVPBVEGAB-HNNXBMFYSA-N	418.415	5.653	30	20	HKED	
C=CC[C@H](NC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1)c1ccncc1	786768233	NLSUZTGGRWGYLP-LIRRHRJNSA-N	408.329	5.115	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1	791202425	UKEDBUYJRCSIRD-PZJWPPBQSA-N	415.320	5.315	30	20	HKED	
N#C[C@H](C(=O)CC(Cc1ccccc1)Cc1ccccc1)c1cnc2ccccc2n1	792109182	GUGHWCGZPXCRGN-QHCPKHFHSA-N	405.501	5.298	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CO[C@H]3CCCc4ccccc43)n2)cc1	797552010	ZJCKVECGIANWSE-OFNKIYASSA-N	418.518	5.089	30	20	HKED	
COc1ccccc1CONC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	798536851	USKDRUSWVNHYJV-HXUWFJFHSA-N	421.884	5.257	30	20	HKED	
C=CC[C@H](CC)NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	799213707	YVJHZYIEALAOML-LBPRGKRZSA-N	401.429	5.529	30	20	HKED	
C[C@@H]1[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1	807620116	DOCMJEXGTKJSLL-VANUSSGQSA-N	424.548	5.127	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccccc1	809128129	OIJQOJARWKDWGN-MAUKXSAKSA-N	415.333	5.940	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	877880747	REIJWFWSJVWDIA-ZDUSSCGKSA-N	424.957	5.204	30	20	HKED	
O=C(c1ccccc1SCc1cscn1)N(O)Cc1cccc2ccccc12	901370128	AAFJZFVDSFHWBB-UHFFFAOYSA-N	406.532	5.620	30	20	HKED	
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(C(F)(F)F)s2)no1	904964346	JHPRLCNJWOFALH-SECBINFHSA-N	423.844	5.525	30	20	HKED	
N#C[C@H](C(=O)Cc1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	915101979	PCIXKEQTGZQCNM-LJQANCHMSA-N	418.909	5.068	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	915991177	XYIPWCZFPDFELQ-AWNIVKPZSA-N	419.864	5.116	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(Cl)cc2)cs1	917530339	FQLZOTBVSMMARP-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
Cc1ccccc1C1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCOCC1	920112735	IXEGILZYWUPTSO-MRXNPFEDSA-N	410.926	5.183	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(C)ccc3Cl)n2)cc1	920139147	NXTKDEFGKZFXSW-MRXNPFEDSA-N	412.898	5.036	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3cccc(C)c3C)n2)cc1	920139836	ZCZVFCMUHCHKRF-LJQANCHMSA-N	406.507	5.081	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(CC(C)C)cc3)n2)cc1	920141596	FUNDJKSMXXECBF-NRFANRHFSA-N	404.535	5.436	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	920804746	YAZXBFSGMGDWDI-LLVKDONJSA-N	423.271	5.814	30	20	HKED	
CSc1nc(O)c(C(=O)OCc2ccccc2SCc2ccccc2)cc1C#N	1436513331	VBALCRJTXMTDOH-UHFFFAOYSA-N	422.531	5.030	30	20	HKED	
Cc1cccc(C)c1CCn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1	1542519817	HSXNLDDBZPJKBK-VWLOTQADSA-N	405.590	5.000	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1	1789456435	UHCWRUPMVQWHLR-IBGZPJMESA-N	423.944	5.251	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c(CC)noc3C)cc2)CCC1	1789812277	TUQDIFHSTUIWDV-UHFFFAOYSA-N	421.541	5.062	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1	1831367121	FPNVAWJZJLCLHQ-AVRDEDQJSA-N	416.993	5.094	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C#N)C1	5901769	KWIFSAKZEROPPB-CQSZACIVSA-N	406.507	5.129	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)c1	10174727	BZPHFKASXBBYTI-UHFFFAOYSA-O	403.571	5.711	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCSc2ccccc2)cc1	31547961	CWTZVLLVLPBEHV-UHFFFAOYSA-N	418.587	5.763	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)n1	41516749	PDXGVBUXAFQFBZ-OAHLLOKOSA-N	408.870	5.041	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1coc(-c2ccc(Br)cc2)n1	64508416	DOPKIMVOLZOOSD-UHFFFAOYSA-N	410.315	5.388	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cc(Cl)ccc3o2)cc1	108371722	HMSNJAJVXCSPIK-UHFFFAOYSA-N	416.864	5.984	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)Nc3cccc(OCCCC#N)c3)cs2)cc1	109837124	ZEQUAMGCQLEPMM-UHFFFAOYSA-N	421.522	5.532	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3C)n2)nnc1-c1ccoc1C	255931108	UHXXXNPFYJKTPH-UHFFFAOYSA-N	423.567	5.833	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	303498812	XYQDWROQRPPUCU-OAHLLOKOSA-N	424.472	6.261	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCOC2(CCCC2)C1	426089804	HXQMZEAQYDDWJI-LJQANCHMSA-N	405.498	5.272	30	20	HKED	
O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccc(F)cc1C(F)(F)F	429590562	HHNHZIZUIQBPIP-UHFFFAOYSA-N	413.292	6.181	30	20	HKED	
O=C(NC[C@@H]1CCC(F)(F)C1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	430971831	PPAMDPPGDOVRJL-ZWNOBZJWSA-N	418.328	5.434	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	432071627	KVXXMFCQISFMTE-RPVQJOFSSA-N	417.481	5.360	30	20	HKED	
CC(C)(C)c1ccc([C@@H]2CCCN2Cc2cn(CCC#N)nc2-c2ccncc2)cc1	435132210	VWYIPDQWSXEQDC-DEOSSOPVSA-N	413.569	5.493	30	20	HKED	
Cc1nccn1CCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	437383993	IRDOHZHIWSTUJC-UHFFFAOYSA-N	423.904	5.063	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	437549235	OEUWAWSHUPJRGR-WOJBJXKFSA-N	403.482	5.032	30	20	HKED	
COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1	437617886	BZQRMCZEMQYSCW-HXUWFJFHSA-N	413.521	5.427	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	437859939	GLGIUMCGCLIIEV-LJQANCHMSA-N	417.431	5.567	30	20	HKED	
C=CC[C@@H](CC)NC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	439501896	OREMOXILUJMWGQ-CYBMUJFWSA-N	407.301	5.117	30	20	HKED	
COc1cc(C(=O)N(C)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	439932934	MZQZNMRVRGGNRI-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Nc1ccc(Br)cc1Cl	440584062	URQNUTBJHMZDKS-UHFFFAOYSA-N	410.724	5.752	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(F)cc1Br	440790836	MLLJFNVXHIALTQ-SNVBAGLBSA-N	411.271	5.374	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)s1	443415163	KIQWCYMGQXFLQW-UHFFFAOYSA-N	401.488	5.014	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c2ccccc21	443915367	VUMPSSBWJLYRKQ-UHFFFAOYSA-N	410.521	5.446	30	20	HKED	
CCCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccccc1	444365037	TYHDFWHFVOGQJY-UHFFFAOYSA-N	411.509	5.336	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC(=O)c1csc2ccccc12	446233321	GRFAKXBRDSTDDE-TZIWHRDSSA-N	402.519	5.163	30	20	HKED	
Cc1ccc(-c2ncccc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)s1	446591297	HLBXRLDHNMKPPK-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
CCCc1c(NCc2nnc(-c3ccccc3Cl)o2)cnn1-c1cccc(C#N)c1	447886251	OZJAJUILLDOQGI-UHFFFAOYSA-N	418.888	5.012	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	464395645	BVZZHCOHNGSXNE-MRXNPFEDSA-N	400.322	5.038	30	20	HKED	
C=CCOCCCC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466914853	BLSUITBVQKVEMI-CYBMUJFWSA-N	423.376	5.041	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	472831424	GMLPMUKFBGMXPE-SFHVURJKSA-N	423.476	5.112	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1	473760177	JLRAKBFKMYZUCU-UHFFFAOYSA-N	418.324	5.273	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1)c1ccc(F)c(F)c1	474650928	MLKOBDWKPPWQJV-QHCPKHFHSA-N	424.495	5.287	30	20	HKED	
CN(c1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCC1	475027182	FULHFYUISUGSRB-UHFFFAOYSA-N	418.541	5.012	30	20	HKED	
COC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1	475985020	AFCJVNOLEGBLND-IBGZPJMESA-N	422.843	5.173	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1	476656726	IDONGVINYHDKLF-INIZCTEOSA-N	412.358	5.123	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	476795945	WKMUJBCWEJSPKB-MRXNPFEDSA-N	416.456	5.141	30	20	HKED	
COC(=O)c1csc(-c2cccc(CNc3ccc(C#N)c(C(F)(F)F)c3)c2)n1	477805663	HEGJXHYQZMYDMV-UHFFFAOYSA-N	417.412	5.099	30	20	HKED	
CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N)CCC2	478808116	YTHIOWBHQAVTFM-RHSMWYFYSA-N	414.600	5.641	30	20	HKED	
Cc1cccc([C@H](NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C(F)(F)F)c1	482041035	VZXJLXGKBBCPGG-NSHDSACASA-N	422.291	5.125	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nccc2ccccc12	483220060	NEOSRZIMUIHXDI-QFIPXVFZSA-N	410.860	5.609	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1	486117935	GPFLCKMPKDWSGB-UHFFFAOYSA-N	407.495	5.132	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1cccc(OC)c1	488902004	PYZSDVZHLLHWGY-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
C=C(C)Cn1c(SCc2csc(Br)c2)nnc1-c1ccncc1	489421742	DJINSCNOVVNHFH-UHFFFAOYSA-N	407.362	5.033	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccs1	489422623	GEQZDGUSNLBJKE-NSHDSACASA-N	422.938	5.104	30	20	HKED	
CC[C@H](C)Oc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	495241133	FAGNWYQMQBMPEI-AWEZNQCLSA-N	424.551	5.132	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCCCC1(C#N)CCOCC1	499624984	JVQKUJONZZMIJH-OAHLLOKOSA-N	403.979	5.523	30	20	HKED	
COc1cc(Br)cc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	499888855	PMWJFSNHPNOOFZ-GFCCVEGCSA-N	420.332	5.496	30	20	HKED	
CN(C)CCCC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	501633572	WMSHZWDXDDVWKE-UHFFFAOYSA-N	421.610	5.045	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1	504730357	MHGYIGCVIABHPO-KRWDZBQOSA-N	420.534	5.722	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1	505677170	HVWUVDZLNOXXQJ-UHFFFAOYSA-N	416.330	5.168	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1nc2ccccc2o1	510135898	PGWYNFYNEPEUPW-SFHVURJKSA-N	402.837	5.550	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)ccc1OCc1ccccc1Cl	511730099	PDKOJIACWXMPHJ-HXUWFJFHSA-N	424.859	5.061	30	20	HKED	
Cc1sc2nc(CN3CCCC3)nc(Nc3cccc(OCCCC#N)c3)c2c1C	515501648	MTLMATUILYEDSF-UHFFFAOYSA-N	421.570	5.330	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2o1	517800956	SAFDPPBAGXLIHH-IBGZPJMESA-N	402.837	5.550	30	20	HKED	
Cc1ccc(C)c2c(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)oc12	517801034	WBNCBQMZZORUEH-GOSISDBHSA-N	411.486	5.843	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1OC(F)F	518165512	HKVZDJRGLRSYME-GDBMZVCRSA-N	419.497	5.813	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl	518649605	DJHZUMJKTAPVKN-VIFPVBQESA-N	407.369	5.107	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COC(C)(C)C)c1	519449655	ILYSLMDYPKCGTI-KRWDZBQOSA-N	411.571	5.575	30	20	HKED	
C=CCOc1cccc(CN[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1	520950477	XKIDJPNWWJPZMO-IBGZPJMESA-N	418.512	5.423	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1	521470373	NOTULPHNYBQZHB-OAQYLSRUSA-N	412.445	5.058	30	20	HKED	
N#CC1(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CCCC1	521480516	IVCPFECVCIJPQW-UHFFFAOYSA-N	405.929	5.228	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)nsc1NC1CC1	522018379	VTWWWNLYAZEDAR-UHFFFAOYSA-N	418.522	5.037	30	20	HKED	
C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	523423018	GPBAYDLOMLKYFU-INIZCTEOSA-N	401.441	5.641	30	20	HKED	
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	523628574	VZJSOQBHPZEBDH-IQGLISFBSA-N	411.505	5.387	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CCCCc2nc3ccccc3s2)c1	524381974	CHQJYQUGMQDCHM-UHFFFAOYSA-N	401.438	5.121	30	20	HKED	
N#C[C@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C1CCCCC1	524534986	LVBCMKFQTXOMAC-NRFANRHFSA-N	422.623	5.738	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(COC2CCCC2)cc1	524831609	CDDPLBZVYFPHDU-QGZVFWFLSA-N	409.555	6.042	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N(C)Cc1cccc(C#N)c1)c(C)n2C1CCCC1	525581178	LKEHXDDSJGQLEM-UHFFFAOYSA-N	401.510	5.217	30	20	HKED	
CCCn1c(-c2csc(N(C(C)=O)c3ccc(C)cc3)n2)nc2cc(C#N)ccc21	534629017	FNGPLYJDMPMOTJ-UHFFFAOYSA-N	415.522	5.435	30	20	HKED	
N#CCCSc1ccccc1NCc1coc(-c2ccc(C(F)(F)F)cc2)n1	535137886	OGBDFSYQJJSTJZ-UHFFFAOYSA-N	403.429	5.978	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H](C)c2sc(C(C)C)nc2C)c1C	535215952	JFTDMYQVNJRUGE-LJQANCHMSA-N	412.603	5.131	30	20	HKED	
CC(C)c1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1ccccc1	535778486	AKGUXNSTCXBHGG-SFHVURJKSA-N	413.308	5.297	30	20	HKED	
COc1cc([C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1OC1CCCC1	537434792	QPRDIYXAQSVGAV-QGZVFWFLSA-N	404.510	5.063	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1	537928250	JVBTZCDEABKJMC-YKSBVNFPSA-N	413.477	5.250	30	20	HKED	
Cc1cc(NC(=O)N(C)Cc2cccc(C#N)c2)nn1-c1ccc(Cl)cc1Cl	538633861	ZNWYXMUWHGBXIJ-UHFFFAOYSA-N	414.296	5.023	30	20	HKED	
C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1	539685460	OEVUMXQGOVQFHV-SFHVURJKSA-N	424.504	5.377	30	20	HKED	
COc1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2	541065840	YRDCDVDFRWVJOE-UHFFFAOYSA-N	413.477	5.258	30	20	HKED	
N#CCC1CCN(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1	543835428	ANKMEWQLQHULJT-UHFFFAOYSA-N	419.956	5.428	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C1CC1	551829746	MWSADZFIVZDTAP-MRXNPFEDSA-N	415.497	6.039	30	20	HKED	
N#Cc1cc(Br)ccc1CSc1nnc(-c2ccc(Cl)cc2)o1	553705873	BUOTXSUTLMAEKX-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1	557609278	SCZQIELYBJDQJR-UHFFFAOYSA-N	404.436	5.183	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	558321466	FWYPZJZZCUANFD-QGZVFWFLSA-N	402.560	5.581	30	20	HKED	
C[C@H]1C[C@H](CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@@H](C)O1	558974243	ZTYLCJYYKONKAP-HATOLVCRSA-N	423.532	5.003	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2	574182582	YDDZSZPYRAPIIC-LPHOPBHVSA-N	423.538	5.221	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccoc2)cc1Cl	576784558	LQHLYQVHVDSYMO-SFHVURJKSA-N	402.841	5.231	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@H](N[C@H]1CCc3ccc(C#N)cc31)c1ccc(Cl)cc1)C2	577548235	ZHBZSBFVKLXKSP-OPBMBUAESA-N	405.973	5.403	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c12	587988734	MERPUHFYKUFGJR-IBGZPJMESA-N	404.429	5.237	30	20	HKED	
Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)CCCCCC#N)cc3s2)s1	588886662	LHESMAYCUAIBCX-UHFFFAOYSA-N	412.540	5.331	30	20	HKED	
N#C[C@@H](C(=O)c1sccc1OC(F)F)c1nc2cc(C(F)(F)F)ccc2s1	591862285	NMMLPAHNBJUGNG-QMMMGPOBSA-N	418.368	5.468	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603623149	FOCLCUNHLFTJCW-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccc(C(C)(C)C#N)cc3)cn2c1	603670481	UAFJPWUDISMVPN-UHFFFAOYSA-N	424.504	5.275	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N	609067409	YUHLACRAHPQCNW-RTBURBONSA-N	400.478	5.413	30	20	HKED	
COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2cc(C#N)ccc2C)cc1	609208021	WYTNKVWRCFUMKE-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(Oc2ccccc2)c(F)c1	609240205	TWCBLSGZUIPHHC-HNNXBMFYSA-N	407.420	5.189	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](Cc4ccccc4)C3)s2)cc1	609279489	XIPFVNRYHDCGOB-NRFANRHFSA-N	416.550	5.092	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12	609377319	SJNAALHTANMFEU-AWEZNQCLSA-N	420.538	5.728	30	20	HKED	
COCc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)sc2cccc(F)c12	609427506	GCHIDTZFNHCLFV-ZDUSSCGKSA-N	414.527	5.833	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1	609433364	VZLZFOQKCTYYOQ-IZZNHLLZSA-N	416.496	5.286	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1	609807589	CJBYDLVOEOPPBD-IBGZPJMESA-N	417.490	5.328	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc(-c2c(F)cccc2F)cs1	609959866	XIPKSJMNHUYXAN-GFCCVEGCSA-N	419.796	5.140	30	20	HKED	
CC1CCN(c2cccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)CC1	610049432	VQBIQUAXCDNJBM-UHFFFAOYSA-N	415.493	5.219	30	20	HKED	
COc1cc(C[S@@](=O)CCC2CCCCC2)ccc1OCc1cccc(C#N)c1	610284985	BZGZVRADAYOHOL-LJAQVGFWSA-N	411.567	5.365	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)c1cccc(O)c1	610320053	OUBWERPVEUXGQP-MRXNPFEDSA-N	402.454	5.066	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(C#N)cc1Cl	610896630	AQGCTJVVSQPGIT-UHFFFAOYSA-N	421.831	5.915	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl	611096890	QJWWKBCDZJIWQA-LLVKDONJSA-N	416.333	5.788	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cccc1-c1ccccn1	611109091	VCPZJYBPQXWSFH-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
C=CCc1ccccc1OC[C@H](O)CSc1nnc(-c2ccc3ccccc3c2)o1	613368937	AHKKVELMMZPUSQ-NRFANRHFSA-N	418.518	5.150	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1	614896556	HQENMJBIRIWOTH-UHFFFAOYSA-N	413.226	5.345	30	20	HKED	
N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1ccc2ccccc2n1	678572431	XAWLEQZBNRAAHK-MRXNPFEDSA-N	421.378	5.214	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc2cc(F)ccc2s1	679541361	SQQOECAIJBPRND-LLVKDONJSA-N	415.421	5.327	30	20	HKED	
CCS[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(C)C	727626641	DXCJXKHXZHFCJV-GUYCJALGSA-N	413.395	6.071	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1Cl	727631383	FBQZSDDJPJZMGI-UQTJOTSZSA-N	414.864	6.021	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OCc3ccc(F)cc3)cc2)ccc1OCC#N	727685539	QXTUDLUSAYUFSK-UUILKARUSA-N	417.436	5.212	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncc[nH]2)c1	729240396	LJUJWWDONUNGCR-ZHZULCJRSA-N	415.405	5.010	30	20	HKED	
COc1cc(/C=C\C(=O)c2csc(C(=O)O)c2)ccc1OCc1ccc(F)cc1	730149477	ISPQNHWGZVYNNY-YWEYNIOJSA-N	412.438	5.069	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730686940	QHKHFFGAJDVSQS-PMPSAXMXSA-N	407.684	5.098	30	20	HKED	
Cc1cc(C(=O)N2CCC(OC3CCC(C)CC3)CC2)c(C)n1-c1ccc(C#N)cc1	731010875	HWCBJWROXJQPNM-UHFFFAOYSA-N	419.569	5.166	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	731400855	VVIWZHMSKIUKAL-JTSKRJEESA-N	409.555	5.058	30	20	HKED	
CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1	731565492	QVLCHKYPHHZCJG-WMZJFQQLSA-N	417.836	5.017	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(Br)nc1	732711519	CHXOFSBXFHONPS-UHFFFAOYSA-N	418.726	5.253	30	20	HKED	
C#CCN(Cc1ncc(-c2ccccc2)o1)[C@@H]1CCOc2ccc(Br)cc21	733195834	WNPQJDLUAXRMKB-LJQANCHMSA-N	423.310	5.063	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Oc3ccccc3)cc2)c1	733801816	YWNZAHVYOCLNER-NRFANRHFSA-N	415.493	5.159	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc2ccccc2s1	734205484	IFHUAZGLCFXKMH-AWEZNQCLSA-N	415.478	5.238	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1	734934100	CXLZCAUBLXKHFA-JXFKEZNVSA-N	411.571	5.091	30	20	HKED	
COCC(=NNc1ncc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1	735609763	ZLSYYHILHUBIHD-UHFFFAOYSA-N	411.733	5.235	30	20	HKED	
CC(C)CN(C(=S)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(C#N)cc1	735624680	YOLAWRPSVHUBIO-UHFFFAOYSA-N	409.889	5.672	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cc(-c2ccccc2)on1	736005819	HLADDVGNLHBMLY-UHFFFAOYSA-N	409.445	5.495	30	20	HKED	
Fc1ccc([C@H]2CCCC2=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	741164375	IUHXKALLTGAMCZ-MRXNPFEDSA-N	415.394	5.432	30	20	HKED	
COc1cc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)c(SC)cc1OC	741165767	RTIXZQOWFDKUMC-QXMHVHEDSA-N	408.523	5.124	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1	741682080	VZGVZXSIZKGEJG-UHFFFAOYSA-N	412.921	5.129	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)on1	746091318	WCZBIALUQXYQHU-UHFFFAOYSA-N	409.536	5.340	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1	747197674	MHPNEISPOQFOLZ-TZIWHRDSSA-N	416.502	5.211	30	20	HKED	
CC(=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1sc(-c2cccnc2)nc1C	747601700	FWAWKXSFTYENJZ-UHFFFAOYSA-N	421.404	5.277	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1	748009324	FXAOHWIWJCAADO-QGZVFWFLSA-N	421.909	5.371	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2)cs1	750395905	UCOFKAVCNDGPJJ-HNNXBMFYSA-N	402.853	5.551	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)c1	750683517	GODWWDAROBOEKR-RDTXWAMCSA-N	423.925	5.025	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2ccccc2n1)c1nc(-c2c(F)cccc2F)cs1	752181045	MJVUWCPUQBFMPH-BLIJAFNYSA-N	417.440	5.526	30	20	HKED	
CC(=O)CC(C)(C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	755750149	FIWKLUDCOXUKBR-AWEZNQCLSA-N	409.338	5.689	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(-c2c(F)cccc2F)c1	757409577	NVJSLEHHVGRJKA-OAHLLOKOSA-N	410.807	5.246	30	20	HKED	
C=C[C@H](CC(=O)O[C@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1ccccc1	758915444	ZOIFHTPVIHBZLU-QZTJIDSGSA-N	412.555	5.100	30	20	HKED	
C[C@H](Oc1ccccc1C#N)c1nc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)no1	762287704	GXEOOKOQDJVGBC-HNNXBMFYSA-N	420.469	5.019	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc4cc(Br)ccc4c3)o2)cc1	763242045	IMHLRYIXYNXMCZ-UHFFFAOYSA-N	405.255	5.136	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccncc1	768075603	APKSTIPREJAHEI-UNMCSNQZSA-N	406.917	5.030	30	20	HKED	
N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccc2ccccc2n1	769786366	AJPVNSXYPOTONN-FEEIMYBTSA-N	400.787	5.710	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)ccc1OC	772979052	KFOPDJCBDVGXHW-XYJFISCASA-N	409.555	5.268	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CCOCC1)c1ccc(F)c(F)c1	773288332	AMZNSOYGYHIJIJ-YADHBBJMSA-N	400.469	5.049	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)ccc1OC	774447251	GBVSTBOSLCURHC-KNQAVFIVSA-N	418.459	5.636	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2csc(-c3ccccc3F)n2)cc1	774584485	CTENXFGDTPDKAQ-UHFFFAOYSA-N	410.470	5.211	30	20	HKED	
C=CCC[C@H](NCc1cn(Cc2ccccc2)nn1)c1ccc(C(F)(F)F)cc1	775656260	ZPRUMAIESPCPAP-NRFANRHFSA-N	400.448	5.142	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccccc1	777289874	BLIUWNVNNHUTOX-SJLPKXTDSA-N	421.522	5.129	30	20	HKED	
O=C(/C=C\c1cccc(Br)n1)c1ccc(Br)cc1Cl	777921249	UYYJLTBUNRQFJO-ALCCZGGFSA-N	401.485	5.156	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)ccc1OC	779103556	ZKDZNRSUNCUWGU-RCZVLFRGSA-N	420.940	5.909	30	20	HKED	
O=C(/C=C\c1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1)c1ccnc(Cl)c1	779459557	BVBBJCPZYKLCQC-XGXWUAJZSA-N	409.272	5.576	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12	780149427	OXOASVJJOOJZIX-MRXNPFEDSA-N	411.436	5.584	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc2)cc1	780160373	PQMNTXGMEBQGPP-MRXNPFEDSA-N	400.434	5.225	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H](C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)C1(C)C	781313848	IOYCADPQPBVHRX-KNQAVFIVSA-N	403.522	5.071	30	20	HKED	
FC(F)Sc1ccc(C=Nn2c(S)nnc2CSc2ccccc2)cc1	782246280	WQPHBVDOAFEJPF-UHFFFAOYSA-N	408.524	5.056	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1	789718554	IEZJXBTWVNDWLL-UHFFFAOYSA-N	408.542	6.446	30	20	HKED	
O=C1COc2ccc(/C=C3\CCc4nc(-c5ccc(Cl)cc5)sc4C3=O)cc2N1	794935445	RKJKZIZLJPBZTE-NTEUORMPSA-N	422.893	5.007	30	20	HKED	
N#CC[C@H](CC(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1	795990421	KLDXYULBOFQFKU-HYBUGGRVSA-N	416.452	5.136	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)c2)c1	796749991	XTAIQBYUOWLWTQ-GOSISDBHSA-N	410.882	5.038	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccnc(C(F)(F)F)c1	808422054	FHWNAXJSAIBZAQ-UHFFFAOYSA-N	414.252	5.015	30	20	HKED	
C#C[C@H](N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1F	809700075	XETLMBQPQQTOMG-SJCJKPOMSA-N	412.814	5.179	30	20	HKED	
C[C@@H](CC(C)(C)c1c[nH]c2ccccc12)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	812727593	SUPJIZLXYLTJTF-SFHVURJKSA-N	416.569	5.169	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)sc21	917047140	RSIRVZCBYLMROD-AWEZNQCLSA-N	421.934	6.146	30	20	HKED	
CN(CCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	919773646	WJFWBHZAZKTFOO-VWLOTQADSA-N	412.537	5.380	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1	920105992	PYFKOPHRRKCZLI-LJQANCHMSA-N	413.502	5.043	30	20	HKED	
CC(C)c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141942	NVSLSAPKPDLAQH-FQEVSTJZSA-N	401.491	5.060	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C4CC4)cc3)CCC2)cc1	1786679147	IMKDBSLZDANLFD-UHFFFAOYSA-N	420.578	5.231	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1	1791587958	XQDQSJBVCYLNKO-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
N#Cc1ccc(OCCSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1	10345421	JHTTUWUWKALXRM-UHFFFAOYSA-N	418.547	5.098	30	20	HKED	
Cc1c(/C(O)=N/c2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)sc2cccc(F)c12	22302018	FKUXXAWMKBKDNA-RYUDHWBXSA-N	419.547	5.051	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1sc2ccccc2c1C)[n+]1ccccc1CC	27310240	CGDHWYGMCDXTNI-UHFFFAOYSA-O	409.600	5.164	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccccc1OC	53048253	ZPOGZQSXGKHDIN-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(N2CCCCC2)CC1	56800417	ZGOVNZMEMLDSED-UHFFFAOYSA-N	418.541	5.141	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(C3CC3)nc3ccccc23)ccc1OCC(F)(F)F	60461663	LCFHCMRDKNVDBF-UHFFFAOYSA-N	411.383	5.177	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	66025461	FCMRLQSWWQZJSI-GOSISDBHSA-N	402.469	5.288	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(CNc3cccc(OCCCC#N)c3)c2)cc1	237474962	BLNYBDDHXUKYCH-UHFFFAOYSA-N	415.493	5.242	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1-c1ccccc1	428528709	QPNODTBBLIHQIO-UHFFFAOYSA-N	412.415	5.211	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(COC2CCOCC2)c1	429002911	CEUIEQPDJLLPAF-UHFFFAOYSA-N	418.518	5.235	30	20	HKED	
C[C@H](C1CC1)n1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1	429363489	JSLAGSCLUYHQDC-QGZVFWFLSA-N	415.497	5.143	30	20	HKED	
C[C@H]1Sc2ccccc2N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1C	430656512	TWYSYJKTXBNEQR-HZPDHXFCSA-N	401.491	5.275	30	20	HKED	
CC(=O)N1CCCc2cc(NCc3cccc(OCc4cccc(C#N)c4)c3)ccc21	432636064	AODKPHYMFFZLAQ-UHFFFAOYSA-N	411.505	5.048	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1	432765003	LLABGWJIDPCGED-IBGZPJMESA-N	417.431	5.270	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCOc3c(F)cccc3C2)cc1F	433015729	YILISPPGGYBIML-UHFFFAOYSA-N	421.403	5.055	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(F)cc3C#N)c3cnn(C(C)C)c3n2)c(C)o1	433986920	ZENKIZKYCDHNDO-UHFFFAOYSA-N	417.444	5.152	30	20	HKED	
CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)C2	434222014	DLDWVUXTVATUGP-UHFFFAOYSA-N	413.477	5.339	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1Cl	436097545	CKGKUEPJXJMYNK-SFHVURJKSA-N	418.909	5.699	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1	439308491	WEINRQDMTLFKQB-SFHVURJKSA-N	423.410	5.270	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccncc1Oc1ccccc1	440746526	JOBNPWOMYADIOW-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
C=CCC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	441539697	IVVTXPPOMRFHIM-HXUWFJFHSA-N	404.432	5.030	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC2CCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	442687504	MUVGLSVMOMLFIA-IBGZPJMESA-N	408.910	5.885	30	20	HKED	
CCCN(C(=O)NCC1CCC(C#N)CC1)[C@@H](C)c1ccccc1Br	442716649	CKWNFSPCRHRMPX-GTPINHCMSA-N	406.368	5.262	30	20	HKED	
N#CCCCn1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c2ccccc21	443938604	JJHWJXBSNLHOCE-UHFFFAOYSA-N	403.379	5.033	30	20	HKED	
CC(C)(C)c1noc(CCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)n1	460342382	GXYFFLOBXYOUDX-UHFFFAOYSA-N	422.916	5.058	30	20	HKED	
CSCc1cccnc1C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	463342618	IFLVCOREEOVZSR-UHFFFAOYSA-N	405.498	5.111	30	20	HKED	
COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CCO2	467154062	XMNRFVYBGAWEKV-QFIPXVFZSA-N	415.449	5.004	30	20	HKED	
CO[C@@H]1CCOc2c(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cccc21	468697469	SBAZGZGDJAQQIJ-JOCHJYFZSA-N	400.434	5.073	30	20	HKED	
O=C(c1ccccc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469743727	HDHBVIMGAMLWBC-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)cc2)nc1	475169295	CYBFLLNVDYHVLD-OAQYLSRUSA-N	424.460	5.254	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](CN(CC)CC(F)(F)F)C1	475550077	NLBXZVBWXQZNPQ-KRWDZBQOSA-N	411.512	5.277	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c(Cl)c1	476478721	BXWGXWNSTDHFPT-UHFFFAOYSA-N	403.656	5.228	30	20	HKED	
FC(F)COc1ncccc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	480056380	GEEFSBHWXBNDFS-UHFFFAOYSA-N	414.296	5.053	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccc(F)c(F)c1	480574206	DHOBIQDMFOBKNX-WRONEBCDSA-N	420.525	5.451	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(NC(=O)c2ccc(F)cc2)c1	481917506	HRVNJYRTSANNHC-VWLOTQADSA-N	413.496	5.507	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccccc2C)c1)c1nc(-c2ccccc2)cs1	481943167	LITFDXNGEMDCLO-UHFFFAOYSA-N	400.507	5.137	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482456054	QWIKTUXQTLPUJH-GOSISDBHSA-N	411.374	5.062	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(SCc2ccc(F)cc2C#N)s1	483158533	ZAKMBAXCYJCJRL-UHFFFAOYSA-N	416.503	5.144	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cc2ccccc12)c1nccc2ccccc12	483206898	YEIMGMIUJSXJOD-HXUWFJFHSA-N	401.263	5.641	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc3sc(N4CCCC4)nc3s2)n1	483706210	BPCMJAIRAIXXOK-LLVKDONJSA-N	402.570	5.028	30	20	HKED	
Cc1cccc(Oc2ccccc2NC(=O)CCc2c(C)nn(CCC#N)c2C)c1	486028084	QHNPGTCUWXCBOA-UHFFFAOYSA-N	402.498	5.086	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)s1	487467333	LANQBJRJQJGVML-GFCCVEGCSA-N	409.536	5.110	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccccc1C	488893648	BCTBGZVVWZFJEH-CQSZACIVSA-N	409.540	5.404	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c3ccncc23)o1	490623163	DXYNYQFNRKWSMG-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[C@H](C)c2ccccc2)cc1C	499609014	LXEWYRCTZZEJKI-IBGZPJMESA-N	400.526	5.004	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ccc2c(c1)OCCO2	500757074	GVNZBVPQYAGZRZ-UHFFFAOYSA-N	414.461	5.002	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501425479	RTJFOQCNBJOKSF-KRWDZBQOSA-N	420.896	5.391	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1	511332180	HNSMTWMZPNQQMW-QFIPXVFZSA-N	419.912	5.167	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(C#N)cc1F	512662496	XVUPHMASNFFLFV-SJORKVTESA-N	419.475	5.429	30	20	HKED	
COC(=O)c1c(F)ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C	515173222	ONEPUXQAVJKIGO-UHFFFAOYSA-N	420.465	5.196	30	20	HKED	
Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	515736468	JHSRPHANYXQAGN-MRXNPFEDSA-N	405.885	5.752	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	517508977	UUNSDTUEOXWBTK-WAIKUNEKSA-N	411.461	5.197	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4F)o3)n2)cc1	517800684	BBHDHORAFADBQX-KRWDZBQOSA-N	418.449	5.708	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C1(c2ccccc2Cl)CCOCC1	518075002	ICHZALPYHCZUOI-UHFFFAOYSA-N	410.366	5.318	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12	519902328	QOWLAOTVPXUKTA-UHFFFAOYSA-N	404.407	5.484	30	20	HKED	
COCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	519945848	UJGRYIHQPBNTAH-NSHDSACASA-N	424.334	5.210	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1	520178788	ZPXYDHUCLYDYHP-CQSZACIVSA-N	405.420	5.589	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1OC(F)F	520195180	XFKKNRQRGSYBBT-KGLIPLIRSA-N	405.470	5.565	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	521748140	MVMCQJHYPWLZKP-GCJKJVERSA-N	421.610	6.605	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1	522571747	LGWSFULUGWLQKP-KRWDZBQOSA-N	404.466	5.008	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCc1nnc(-c2c(Cl)cccc2Cl)o1	522617678	PNBWSVKUCGWARO-UHFFFAOYSA-N	410.644	5.156	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)NCc3ccc(-c4ccncc4)cc3)c2)c1	523511649	QVNWZKDKLOVALI-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2ccncc2)C2CC2)c1	523945419	BKVWWXLWHNVXFF-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
COc1ccc(N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1OC	523955929	QNTMIJMFHDQBLG-UHFFFAOYSA-N	422.868	5.298	30	20	HKED	
CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	524128676	YKQMFFHRBOOTDV-CYFREDJKSA-N	405.542	5.764	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c(F)c1	525176202	RGIUKDNMQYRZRW-HSZRJFAPSA-N	408.860	5.001	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1	533510625	KPSBTVPKIMIVSC-MOPGFXCFSA-N	404.539	5.230	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	534018031	KAYRODJXHLREDO-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(CC)[C@@H](c1cccnc1)c1csc2ccccc12)OCC	535212745	VXNFXMGLMVVSHX-QPPBQGQZSA-N	408.567	5.606	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C	535790665	HJTBSPKTHHUIAS-BRWVUGGUSA-N	411.546	5.024	30	20	HKED	
C[C@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(C(=O)c2ccccc2)c1	536416896	UQBQHSPGOUYVRB-HNNXBMFYSA-N	420.415	5.133	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@@H](C#N)CCc1ccccc1	537241006	KTZLLYDVCCBMOO-DNVCBOLYSA-N	407.514	5.207	30	20	HKED	
N#Cc1c(Cl)cccc1SCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1	538944568	AEKXOZPLFSNXGT-FQEVSTJZSA-N	416.930	5.410	30	20	HKED	
Cc1csc([C@@H](NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)n1	541156061	VXMYKHHIRSDMPJ-ZHRRBRCNSA-N	416.550	5.502	30	20	HKED	
CC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1C	541994411	SYUXVFJERDLQOT-QGZVFWFLSA-N	412.493	5.375	30	20	HKED	
C[C@H](NC(=O)NCc1nc2ccccc2s1)c1ccc(-c2cccc(C#N)c2)cc1	542079664	MWQNIISHUPKKNY-INIZCTEOSA-N	412.518	5.395	30	20	HKED	
C=CCC[C@H](NCc1ncc(Br)s1)c1ccc(C(F)(F)F)cc1	543852081	HZSWPJOACVGIKO-ZDUSSCGKSA-N	405.283	5.722	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(C(F)F)sc2c1	552379332	KVIHEGMHNRSTMF-QGZVFWFLSA-N	401.438	5.148	30	20	HKED	
CC[C@H](C)[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	554597896	JJWQYEZVYABALJ-LAUBAEHRSA-N	410.949	5.089	30	20	HKED	
N#Cc1ccc2ncc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2c1	560255986	ASZNFDSIHDWYHQ-INIZCTEOSA-N	412.337	5.008	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCN4c5ccccc5C[C@@H]4C3)cc2)c1	562023049	SXGPLEAHBGQAQN-JOCHJYFZSA-N	424.504	5.019	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2noc3ccccc23)c1	570854603	GFOJFBGEEJQJKL-UHFFFAOYSA-N	403.825	5.075	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(Br)c2Cl)c1	573936971	XKERANRCVOEACQ-UHFFFAOYSA-N	408.683	5.429	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ccc(OCC(F)(F)F)c(F)c3)cc2)ccn1	583901891	YPWMCIIVPDGTRB-UHFFFAOYSA-N	417.362	5.438	30	20	HKED	
N#CCc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	588988408	YZTHFVZDFYWISP-UHFFFAOYSA-N	402.306	5.364	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	603737345	AYYNMNHXSNEMPI-UHFFFAOYSA-N	416.525	5.036	30	20	HKED	
Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603765920	DCJJNAOUGNOPND-JOCHJYFZSA-N	413.908	5.966	30	20	HKED	
Cc1csc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	604089520	CGITVRFRLIVLAH-UHFFFAOYSA-N	412.902	5.133	30	20	HKED	
CC(C)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604499908	QBOAWKQUPCJMPS-UHFFFAOYSA-N	400.482	5.436	30	20	HKED	
Cc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	609381643	CMSRQFRABABTSW-UHFFFAOYSA-N	410.486	5.750	30	20	HKED	
N#C[C@H](NC(=O)CCc1cccc(Br)c1)c1cccc(Cl)c1Cl	609414551	ZBUZRTPNINVDEA-HNNXBMFYSA-N	412.114	5.070	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2)c1	609433856	NDZSJALWAROLOP-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
Cc1ccc(C2(C(=O)Nc3sc4c(c3C#N)CCCCCC4)CCOCC2)cc1	609504440	VPBSNGXPGVCKLN-UHFFFAOYSA-N	408.567	5.274	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1ccccc1Br	609590982	IGBAEQKJVDVOEH-SBHAEUEKSA-N	405.295	5.087	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1	609712769	NELKUOAJTXVPPO-AEFFLSMTSA-N	412.534	5.010	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C1CC1	611168234	PSBCSNIIMTZGIQ-HNNXBMFYSA-N	401.470	5.043	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3-c3ccccc3C#N)n2)cc1	613318035	HOVKTZFPOAYVIH-QHCPKHFHSA-N	419.509	6.147	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H]3CCc4cc(C#N)ccc43)s2)cc1	618812695	WVPUELXPUDXBPD-IERDGZPVSA-N	416.550	5.346	30	20	HKED	
N#CCCn1cc(/C=C\c2nc3cc(-c4ccccc4)ccc3o2)c(-c2ccncc2)n1	618942116	SWJLLNRQIXYWFI-NTMALXAHSA-N	417.472	5.837	30	20	HKED	
C=CCN(C(=O)c1cc(C)on1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	641891484	RIXPWJRBXKWVJT-UHFFFAOYSA-N	401.491	5.606	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)N(CCC#N)c3ccc(C)cc3)cs2)cc1	726940544	XMQBNCSCYHBTIP-UHFFFAOYSA-N	405.523	5.468	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cc(Cl)c1O	728441754	PHPFWSLLCMFQTB-FPLPWBNLSA-N	403.862	5.521	30	20	HKED	
CC[C@H]1CCc2sc(-c3nnc(SCc4ccc(OCC#N)cc4)n3C)cc2C1	729242628	XDRJLPFWOGECSH-HNNXBMFYSA-N	424.595	5.253	30	20	HKED	
COc1ccc(N=C2NN=C(c3c[nH]c4ccccc34)[C@H](c3ccccc3)S2)cn1	729674225	JGWKIXBJZJSABO-QFIPXVFZSA-N	413.506	5.041	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2n1	730395270	SPXBXFWNRVRPCJ-BWKNWUBXSA-N	412.489	6.084	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1	730954577	DHRFVYROVIQEFZ-CQSZACIVSA-N	422.044	5.670	30	20	HKED	
CCOc1ccc(OCC)c(NC(=S)Nc2ccccc2SC[C@@H](C)C#N)c1	730954686	HPRYMLLPMOXFTN-HNNXBMFYSA-N	415.584	5.545	30	20	HKED	
O=C1/C(=C\c2coc(-c3ccccc3)n2)CCC/C1=C/c1coc(-c2ccccc2)n1	731835438	CWAHCPRTXKRFSI-SIBCGJTDSA-N	408.457	6.217	30	20	HKED	
CC(C)C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1cccc(C(F)(F)F)c1	731986289	LINSPDAZYYNKDD-FQEVSTJZSA-N	404.432	5.054	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)cc2)nc1	731990581	GGGBDMJXAABHHW-UHFFFAOYSA-N	418.884	5.251	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(C)(C)C)no1	732377156	BFHHMXJDVYWTTM-HNNXBMFYSA-N	405.454	5.143	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccncc1	734361040	RDPPGAZJVHQWBO-IBGZPJMESA-N	424.298	5.079	30	20	HKED	
Cc1ccc([C@@H](NC(=O)CSCc2cc(Cl)ccc2OCC#N)C2CC2)cc1	735319991	HUTIJDLXXLEAIY-JOCHJYFZSA-N	414.958	5.052	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCCC2)n1	743093341	RYPMXMHCSOAHQW-NRFANRHFSA-N	416.550	5.698	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2cccc(C)c2C)c1=S	743390022	ZDSWYHJOXJWYII-QFIPXVFZSA-N	419.598	5.464	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1nc(-c2c(F)cccc2F)cs1	744073231	BNVXLOGYJKUXNT-FPMFFAJLSA-N	416.399	5.346	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1NC(=O)OC(C)(C)C	744161349	SUARQPBXQLHNTG-INIZCTEOSA-N	404.470	5.017	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1	746260121	BPXDCNBOXIABMP-OFVILXPXSA-N	414.480	5.093	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1	748297238	QUSAVQIYNCNQTG-UHFFFAOYSA-N	403.463	5.140	30	20	HKED	
O=C(/C=C\c1ccc(Cl)nc1)c1ccc(Br)cc1Br	748994590	PCCZSBKQOUBUMB-KTAJNNJTSA-N	401.485	5.156	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccnc(O)c1	752875425	GWIWNUHFZPLARC-KHPPLWFESA-N	407.429	5.282	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	760786426	SXRZBQXKZBLYLT-UHFFFAOYSA-N	421.375	5.123	30	20	HKED	
C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccccc1SC[C@H](C)C#N	762534846	YGBIVBOYQBIBDJ-KGLIPLIRSA-N	413.593	5.667	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccccc1Br)c1nc2cc(F)ccc2s1	766352299	WKUAFEVDPZEABJ-CQSZACIVSA-N	417.303	5.397	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1	769449726	JEADGAGDTQVLEI-GCJKJVERSA-N	402.519	5.015	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCC(F)(F)F)c2)cc1	769943823	BJVZSWQVSDHXJA-IFXJQAMLSA-N	418.415	5.102	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1	770562432	DHJYNEDDGVCWFS-KRWDZBQOSA-N	407.514	5.277	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cccc(-c3ccccc3)c2)ccc1OC	772985007	IFIORBQYYYDFEN-NTKDMRAZSA-N	400.522	5.894	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(SC(F)F)cc2)ccc1OC	772987431	VDPZVYILWOQWAJ-RHSMWYFYSA-N	406.498	5.542	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	773771731	TZFABTCCFFDIHO-AUSIDOKSSA-N	421.500	5.406	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)c(F)c1	774020324	CCOBTBOWFXOHQN-OFNKIYASSA-N	421.447	5.129	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2coc(-c3ccccc3Cl)n2)cc1	774570092	RRGADDCZKGJIOT-UHFFFAOYSA-N	410.857	5.257	30	20	HKED	
CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccc(Cl)c(Cl)c1O	775521309	UXFQTJCOXNHJLS-PBHICJAKSA-N	423.340	5.629	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cscn1	776192292	NXSOQXCTBUONEW-QPJJXVBHSA-N	403.290	5.598	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc(F)c(Cl)cc1Cl	777114250	HRLSOCUYPSHMSJ-GFCCVEGCSA-N	408.304	5.138	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1	778534723	HXTKILHBTRLHEQ-SECBINFHSA-N	422.655	5.486	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2O[C@H](C)C#N)sc2nc(C(F)(F)F)ccc12	780149490	CNXWSHNGUZCREY-SNVBAGLBSA-N	405.401	5.167	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)CC1	780779081	MVYRVHHFVMDOCK-UHFFFAOYSA-N	412.518	5.277	30	20	HKED	
CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	782818863	ZCSOKNJGRTVXJM-QHCPKHFHSA-N	411.505	5.217	30	20	HKED	
CO[C@@H]1Cc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2C1	784224782	ORZDVYYRYPYSBE-HXUWFJFHSA-N	400.503	5.075	30	20	HKED	
C#Cc1cccc(N(C)C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1	786889120	PBCHIYGWDBAHAM-UHFFFAOYSA-N	414.292	5.010	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1ccccc1	793123232	JVSDOJOZDGLZDJ-IAGOWNOFSA-N	419.377	5.999	30	20	HKED	
CC(C)[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccnc1	797943767	WKMJRFGIJHZTSH-RHSMWYFYSA-N	403.429	5.326	30	20	HKED	
Cc1cccc(-c2nnc(Sc3nc(Cl)c(C#N)s3)n2Cc2ccco2)c1	804338256	KRHIPANNZSEYJH-UHFFFAOYSA-N	413.915	5.028	30	20	HKED	
Cc1c(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)cccc1OCC(F)(F)F	804342252	WDKQSHHUZUEWGK-UHFFFAOYSA-N	413.264	5.485	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@@H](C#N)c2nc3ccccc3o2)cs1	810536857	VDGIJBXRACNWNQ-MRXNPFEDSA-N	419.481	5.553	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)cs1)c1sc(-c2ccccc2F)nc1C	814867573	KGTMJAGKAXXDQE-UHFFFAOYSA-N	400.426	5.569	30	20	HKED	
O=C(Nc1ccc(C(=O)N(O)Cc2cccc3ccccc23)cc1)c1cccs1	901371941	YBFDINKTJBAMMU-UHFFFAOYSA-N	402.475	5.185	30	20	HKED	
O=C(/C=C/c1c(Cl)nc2sccn12)c1cc2cc(Br)ccc2o1	916130123	IPTGBJHGDWGDTH-NSCUHMNNSA-N	407.676	5.454	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2nc3ccccc3s2)cs1	917559215	GDHSGXMUGTVGQQ-FLIBITNWSA-N	423.494	5.473	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@@H](c1ccc(Br)cc1)C1CCC1	917595119	RUCVYRHKIYLPGX-GOSISDBHSA-N	400.345	5.149	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccccc2OC)on1)c1nc(-c2ccccc2)cs1	918146282	RZBVQTLCEHQEBG-UHFFFAOYSA-N	417.490	5.307	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(Cl)nc4ccccn34)cc2Cl)cc1	918382323	VLISCDJPJYITRI-UHFFFAOYSA-N	423.259	5.557	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1	919809291	MHSYYHNZAZERFH-UHFFFAOYSA-N	408.404	5.033	30	20	HKED	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@@H](C#N)c5nc6ccccc6o5)(C4)C2)C3)cc1	920113071	QSLCPICQKKBOGK-NQFOFQKFSA-N	410.517	5.851	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Cl)s3)n2)cc1	920140683	AWBBHNGMXFUHJE-PMGBHYCQSA-N	400.912	5.423	30	20	HKED	
FC(F)(F)c1ccccc1C=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1	920398845	FDOBZLZPXCXZIS-UHFFFAOYSA-N	416.186	5.613	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cccc(Cl)c2)nc1O	1524959697	WMQNILVJHUWRAB-UHFFFAOYSA-N	405.885	5.032	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ccoc5c4)CCC3)cc2)C1	1785810461	UAWCCCXSILUULN-UHFFFAOYSA-N	400.478	5.147	30	20	HKED	
CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1)c1ccccc1	1787645581	ZSJSLBDEXWQCJV-JOCHJYFZSA-N	415.537	5.008	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(C)C	46443246	APMPRAZPGDCXIV-GOSISDBHSA-N	406.507	5.404	30	20	HKED	
Cc1ccc(CN(CCC(=O)Nc2ccccc2C#N)CCc2ccccc2)s1	58491078	PUVBOVIZFWQUGU-UHFFFAOYSA-N	403.551	5.002	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1	63392566	RDAFZSWFXXTNPR-UHFFFAOYSA-N	424.504	5.055	30	20	HKED	
COc1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)cc1OCCCC#N	147204867	QPPLNLQIGQQLNG-SFHVURJKSA-N	402.947	5.358	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1	302892797	ILNFVFUYUHGWAW-UHFFFAOYSA-N	412.312	5.016	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F	303805478	AXBVCRASQSVXHQ-IEBWSBKVSA-N	405.404	5.074	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)c1	303966113	CZRXIPYDPLRXKS-RTWAWAEBSA-N	415.320	5.039	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2CC(=O)Nc2sccc2C#N)nc1-c1ccccc1	427005346	RCTRAPMSHQPJQY-GOSISDBHSA-N	420.538	5.174	30	20	HKED	
C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-c2cccnc2)cc1	428649108	JSZDKIQXMMJTCD-LJQANCHMSA-N	421.504	5.017	30	20	HKED	
N#CCSc1cccc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)c1	429941896	HSKRXEYTIKYGJK-UHFFFAOYSA-N	419.319	5.009	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1F	430600302	HGQFJTWENQQFQL-CQSZACIVSA-N	401.507	5.054	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(CN[C@@H](C)c2ccc(C#N)cc2)c1	432777146	CEAQAMQSXVLWBL-PMACEKPBSA-N	424.548	5.140	30	20	HKED	
CCNC(=O)Nc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1C	433192123	JPYLQXKSUPUELA-UHFFFAOYSA-N	414.509	5.199	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccco3)nc2O)cc1F	437477574	XLWIXFHCUUQKHT-UHFFFAOYSA-N	415.380	5.103	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cc(C#N)cs1	437702488	INEXVFUJEZEEPA-UHFFFAOYSA-N	418.497	5.917	30	20	HKED	
C[C@@H](c1nnc(S[C@H](C)c2cccc(C#N)c2)n1-c1ccc(Cl)cc1)N(C)C	442908850	OXHFTTGEAIABHN-LSDHHAIUSA-N	411.962	5.268	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2occc2-c2ccc(F)cc2)cc1	443542469	QCWQKTKHDDRGGP-UHFFFAOYSA-N	404.441	5.152	30	20	HKED	
C=C(C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)c(F)c1	444331060	UPBPVDHUCWUGFF-QFIPXVFZSA-N	404.416	5.007	30	20	HKED	
Cc1cc(F)cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	446861677	NHNKWKWGPCVZSS-UHFFFAOYSA-N	423.831	5.029	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)[C@H](C)c2cccc(C#N)c2)nc1-c1ccccc1	462132874	SFVYKWQOMLVJSW-GCJKJVERSA-N	413.521	5.804	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(Oc3ccccn3)c2)c1	464906225	MLTIDRVXGAOAEE-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1	464930897	IUHLJGOZCJBLKV-IBGZPJMESA-N	403.507	5.135	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1	469159657	YQGOJYLTTRAAEK-GFCCVEGCSA-N	400.265	5.353	30	20	HKED	
CC[C@@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC[C@H]1c1ccccc1	470010961	DRDMQDORDLNNOZ-VQIMIIECSA-N	405.567	5.208	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	471788742	QBZOVAWRRWMVIV-HXUWFJFHSA-N	415.880	5.112	30	20	HKED	
Cc1nnc(-c2cc(F)ccc2NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1	475356705	NBHJLPKAYCUAIU-UHFFFAOYSA-N	419.300	5.834	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1nc([C@@H](C)SCC)no1	475574631	WQZWSIKKQVUBRG-OAHLLOKOSA-N	402.564	5.400	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	475740626	SSTYWVWHWUTVIQ-UHFFFAOYSA-N	417.962	5.555	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	477545637	WQTUMZRPDDCFOW-HNAYVOBHSA-N	421.488	5.766	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(-c2ccncc2)no1	478674293	ZYONIBDVMQVZLC-UHFFFAOYSA-N	417.494	5.137	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	479599177	NOKGHSCBNMPQAR-HXUWFJFHSA-N	414.530	5.348	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc(-c2ccc(C)cc2)no1	481332285	MHELGAKPOFTYDJ-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nccc4ccccc34)c3c2CCC3)c(C)c1	483212572	SBONOODJVVYJMP-OAQYLSRUSA-N	406.489	5.016	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)ccc21	483221619	RTXYTHPFQHHPPX-QGZVFWFLSA-N	422.410	5.674	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	483972452	BVOHFHHMGHCHPQ-HNNXBMFYSA-N	400.265	5.205	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1	485034861	OWUHMXRXIIUWPO-UHFFFAOYSA-N	409.530	5.269	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	500306554	PUFIAKKIZUSBJO-UXHICEINSA-N	400.444	5.365	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)c1	501141375	KEVMPGWKMRLAQR-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
Cc1noc(C)c1C(C)(C)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	501854006	JWJACKGEHRVWQK-OAHLLOKOSA-N	402.498	5.126	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nc(-c2ccccc2)cs1	503562138	ICUSFKWYCQWRRD-NRFANRHFSA-N	411.486	5.274	30	20	HKED	
CCc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	507823008	DNYSGRNUDIUEEU-QGZVFWFLSA-N	415.493	5.361	30	20	HKED	
CCc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)s1	508244505	ZFPWMNFKYUQSKH-UHFFFAOYSA-N	407.495	5.305	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(Cl)c1	511515309	VIWPSPBCDMUCLD-HNNXBMFYSA-N	418.884	5.347	30	20	HKED	
C=CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)c1nc(-c2ccccc2)cs1	512153518	JGLKQHPNSPSUGG-UHFFFAOYSA-N	421.547	5.976	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	513686955	IXZJSWCITQOTAO-CQSZACIVSA-N	409.923	5.872	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(Cl)cc2F)cc1	513960615	LHSQKZXAQAYLQG-UHFFFAOYSA-N	411.839	5.724	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc1	514559833	PASAHUONHHNBNJ-UHFFFAOYSA-N	405.498	5.566	30	20	HKED	
N#CCc1ccnc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1	517065253	MGQLXCHJMDGLDV-JOCHJYFZSA-N	407.926	5.262	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc4oc5ccccc5c4c3)CC2)c1	517120995	ZGHABMOEDIGBQR-UHFFFAOYSA-N	411.461	5.533	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2cccnc2)on1	517461864	ROHPCCLXATXBRC-UHFFFAOYSA-N	418.400	5.013	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1	517511514	WJIQPQDITHMCFC-UHFFFAOYSA-N	424.460	5.776	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)cc1	518026962	BCRYZHHCJURUIP-QFIPXVFZSA-N	404.510	6.099	30	20	HKED	
CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	518361044	CVRDAHJZWWVJGP-UHFFFAOYSA-N	404.432	5.596	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c2[nH]c(C)c(C)c2c1	518683066	HHLXVRPCHDUTIA-OAHLLOKOSA-N	406.555	5.667	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)cc1	519057155	FXEKLNNPUCBHBU-UHFFFAOYSA-N	424.460	5.362	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(Cl)s1)c1ccc(OCc2ccccc2)cc1	519129403	WNHPLLOBXDEMOX-FQEVSTJZSA-N	410.926	5.294	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	521077033	UDQWEAAZNCZERR-CQSZACIVSA-N	424.513	6.078	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1	522576824	GBODJKNSFVRCBL-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
COc1cc(C2(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)CCC2)ccc1C	523344511	IDGPAGMMXUSFNV-UHFFFAOYSA-N	403.507	5.059	30	20	HKED	
COc1cc(OC)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1Cl	523708361	YZMZZSMPBZVOPC-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
Cc1cc(C(=O)N(C)C[C@@H](C)C#N)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl	524973536	ALYNBQGBHWYTIR-ZFWWWQNUSA-N	404.341	5.707	30	20	HKED	
Cc1ccc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc2n1	534692291	SJAGDVRQVYEJJK-GOSISDBHSA-N	403.894	5.810	30	20	HKED	
CCc1noc(-c2ccc(C)c(NC(=O)c3ccccc3Oc3ccccc3C#N)c2)n1	537558021	XKYKSHXSYSLYQQ-UHFFFAOYSA-N	424.460	5.524	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	538130604	FMAFCCWMEVRVBW-QAPCUYQASA-N	401.963	5.271	30	20	HKED	
CCOc1cccc([C@@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1	538180378	OCQSCHHNCXTYKO-LJQANCHMSA-N	416.521	5.395	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccccc3SC[C@H](C)C#N)CCCC2)cc1OC	539623320	SIDMNHRRPJTLHM-QGZVFWFLSA-N	424.566	5.406	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1	539628800	NTYXANXWQOFIBW-KRWDZBQOSA-N	400.482	5.387	30	20	HKED	
C[C@H](NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1ccc(C#N)cc1	539795580	ZYQPUJQDKMWOCC-HNNXBMFYSA-N	419.422	5.308	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1	540089624	ORVBYKWPYSAWOV-RCZVLFRGSA-N	412.489	5.167	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1	540106328	MAGDFIXDUNPDSJ-UHFFFAOYSA-N	422.350	5.232	30	20	HKED	
COc1ccc([C@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Br	540608417	RHUUUWCHWIVOBH-QMHKHESXSA-N	421.338	5.770	30	20	HKED	
CCCc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnn1C1CCCC1	543127866	YDALPYGPGPWVNE-QGZVFWFLSA-N	405.329	5.252	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(COCc3ccccc3)cc2)C2CC2)cc1	544274147	UNSDFHYLNAROLP-UHFFFAOYSA-N	411.505	5.472	30	20	HKED	
N#CCCOCCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1	549019173	MIYSTBPHSLAROL-UHFFFAOYSA-N	405.445	5.126	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCOc1ccc(F)cc1	553404288	VVMAVARBZFIVJF-MRXNPFEDSA-N	401.507	5.010	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccccc1OCc1cccc(Br)c1	554638859	BPGKIFVDDFRABQ-UHFFFAOYSA-N	415.331	5.088	30	20	HKED	
COc1cc(C)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C)c1C	557984762	TZGWDAYTGNQVLQ-UHFFFAOYSA-N	400.478	5.323	30	20	HKED	
N#Cc1ccc(N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1[N+](=O)[O-]	569163612	KISFPXCHDOYWQA-LJQANCHMSA-N	423.270	5.020	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(-c2ncon2)cc1	572387024	GMSXLXPFCUDKET-UHFFFAOYSA-N	411.421	5.353	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c1	576542652	MYUIZUGOBJBBDQ-QFIPXVFZSA-N	422.912	5.035	30	20	HKED	
Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C(F)(F)F)c(C#N)c(C)c1C	579640955	TZTWUZGGTTZNOX-UHFFFAOYSA-N	413.852	5.282	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N[C@@H](C)c1cccc(C#N)c1	589368329	LUYPAURKTBFEOX-LBPRGKRZSA-N	404.333	5.315	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nc2cc(F)ccc2s1	602493474	NNGMUFMHJJOLEC-INIZCTEOSA-N	424.403	5.996	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1sc(C)c(C)c1C#N	603444811	ASLJENVFIMBDIO-UHFFFAOYSA-N	412.518	5.650	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(C)C)cc1	603705760	SXPUHADOWJXMJF-YCRPNKLZSA-N	411.933	5.177	30	20	HKED	
COc1ccc(C)cc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603758784	HNNGPXYROOCERA-NRFANRHFSA-N	404.897	5.494	30	20	HKED	
Cc1cc(C)c(C#N)c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)n1	603898249	YVVIDRLZEQNMSF-SFHVURJKSA-N	420.365	5.333	30	20	HKED	
CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	603961322	GLFQRPVOUMKVCU-SFHVURJKSA-N	402.498	5.193	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1	609281756	YEIDZZPKBROTMG-UHFFFAOYSA-N	411.933	5.011	30	20	HKED	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	609376859	KPKMPTAUUGLBNV-CABCVRRESA-N	413.568	5.016	30	20	HKED	
Cc1ccc(OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1	609384471	GSVQZLFLCGATSM-AWEZNQCLSA-N	419.344	5.169	30	20	HKED	
CC(C)Oc1ccccc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N	609389709	JKCMNWLTXFGXLW-KRWDZBQOSA-N	414.596	5.740	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(C(F)(F)F)c1	609434653	GRBIAGZNJMQUIK-AWEZNQCLSA-N	407.461	5.764	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1C(F)(F)F	609501242	BMJSMDFAWFQKOI-CQSZACIVSA-N	411.383	5.255	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1)C1CC1	609929676	JNPFKJHYQWHZSG-INIZCTEOSA-N	422.554	5.236	30	20	HKED	
O=[N+]([O-])c1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC(F)F	610273322	VJBWWBWMKGDAGR-YUMQZZPRSA-N	422.272	5.518	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(COCCOc2ccccc2)c1)c1cccc(C#N)c1	610321473	ACHCTCMIEKRXAU-LJQANCHMSA-N	415.493	5.037	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	610387302	PHTJCURVTXAWPK-GFCCVEGCSA-N	405.357	5.022	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccncc1	610530720	YGGDWIDQIPZIGR-OAHLLOKOSA-N	406.873	5.324	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]1c1cccc(F)c1	611049025	ATLKJBUKKXYBHK-XMMPIXPASA-N	415.468	5.564	30	20	HKED	
COc1cccc(CC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)c1	618224394	FSPFWOXSXLOWOO-UHFFFAOYSA-N	415.537	5.049	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(n1)CCCC2)c1nc2cc(C(F)(F)F)ccc2s1	676772003	UGAUCSBBCHARTA-ZDUSSCGKSA-N	401.413	5.079	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)sc1-c1ccc(F)cc1	726729535	HGSASAVAJMOKSD-SFHVURJKSA-N	416.477	5.858	30	20	HKED	
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S	726802101	SUZCFNCFUSOVCY-GRXRTFJCSA-N	400.569	5.149	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1Cl	727627862	MVXFHCOXLHAPFU-TYZQSYOASA-N	420.868	5.406	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1cnc(N2CCCC2)nc1	727654337	LGUMHQDZAMPCPU-RUDMXATFSA-N	410.930	5.058	30	20	HKED	
C#CC[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1	727772848	IIHAVJLWZLCRJA-KRWDZBQOSA-N	403.290	5.433	30	20	HKED	
Cc1cc(COc2ccc(/C=C\C(=O)c3cc4ccccc4o3)cc2)oc1C(=O)O	729937417	QZHISIIREJRGDY-FLIBITNWSA-N	402.402	5.508	30	20	HKED	
Cc1csc(-c2cccc(OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)n1	731986343	ODOFTNDHXLATOG-UHFFFAOYSA-N	413.458	5.397	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@@H]2c2ccccc2)ccc1OC	733654193	PUAOLQSFUMJZAQ-FGZHOGPDSA-N	421.541	5.203	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2Oc2cccc(F)c2)c1	733843454	IUVGTTSBKIAAIU-IBGZPJMESA-N	419.456	5.621	30	20	HKED	
Cc1sc(NS(=O)(=O)c2cccc(Cl)c2C#N)nc1-c1cccc(Cl)c1	733869485	VFQQUXODKOLZMA-UHFFFAOYSA-N	424.334	5.098	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cnccn2)ccc1OCc1c(F)cccc1Cl	734752859	KNXQPCOSDRPHEC-VURMDHGXSA-N	412.848	5.143	30	20	HKED	
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	735320023	IUAYEBUJJGPCPH-JKSUJKDBSA-N	402.947	5.050	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1	736989830	TWIQJGJOAVTFAK-UHFFFAOYSA-N	422.529	5.027	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(-c2nc3ccccc3s2)o1	741843036	XOWJKLVVCHBSPN-LUAWRHEFSA-N	423.465	5.617	30	20	HKED	
N#CCOc1ccccc1C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	750204762	LKIPPJYVJWCIFR-OAHLLOKOSA-N	403.278	5.068	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1	751099138	WBOQLLSXQUXUNR-QPPBQGQZSA-N	403.526	5.119	30	20	HKED	
COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	752165052	SSQGIHDGRPFPDA-GFCCVEGCSA-N	404.278	5.011	30	20	HKED	
CN(c1ccccc1)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	752636232	JLXXAEDXJZARBV-SANMLTNESA-N	424.548	5.475	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)c2ccccc2SCC#N)cc1	752763995	HFIHXPISZWCLAL-KRWDZBQOSA-N	404.560	6.408	30	20	HKED	
Cc1ccc(-c2cc(-c3ccc(OCC#N)cc3)nc3sc4c(c23)CCOC4)cc1	753917975	YCZNGAHDTZXIPY-UHFFFAOYSA-N	412.514	5.914	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1	753921097	ONEDBABLQZVAGC-QWFMPGPPSA-N	402.947	5.624	30	20	HKED	
N#CC1CCC(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1	755973031	FSDOUNKUGKFJPO-UHFFFAOYSA-N	407.297	5.454	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	756644644	LEIVAILCKWNIMK-LSDHHAIUSA-N	412.584	5.054	30	20	HKED	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	757656763	CGENPGAAJHSTPV-DLBZAZTESA-N	400.478	5.129	30	20	HKED	
C=C[C@H](CC(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1	758909501	CWQOSJBHKGLBEV-CYBMUJFWSA-N	403.265	5.447	30	20	HKED	
C=C[C@@H](CC(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1	758912124	DVDQOBKUBWGNSR-ZDUSSCGKSA-N	411.807	5.200	30	20	HKED	
C[C@H](Oc1cccc2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	774065790	SWLJSPRMFRMWKS-HRAATJIYSA-N	423.497	5.479	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	777248817	VXGLWUGTZNDFNZ-UHFFFAOYSA-N	402.491	5.703	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)c1	779105373	XDNPMDWPTWBASX-NLFFAJNJSA-N	420.940	5.909	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)sc21	780179339	XQKRNTRZIJGWNA-OAHLLOKOSA-N	416.506	5.247	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cc3ccccc3s2)ccc1O[C@H](C)C(=O)N(C)C	780188520	LQCOEQPXRYKFQG-UILAEWCASA-N	423.534	5.052	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nc(Br)cs1	792269925	ZCDRYBOJOPEXQD-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
C[C@H]1C[C@@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1C(=O)OC(C)(C)C	793465464	BKGPNUMLZZCCLR-BBWFWOEESA-N	417.575	5.055	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2ccnn2C(C)C)C(=O)c2ccccc2)c(Cl)c1	794936639	CRVFFZAZLRTBSM-ZHZULCJRSA-N	421.928	5.639	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc(C[C@@H](CC#N)c2ccccc2)n1	795765456	FVCIKWUYLGMLQS-RTBURBONSA-N	410.518	5.162	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1	798019758	JMDNCIUKFAZWEG-QRTARXTBSA-N	403.404	5.064	30	20	HKED	
Cn1nc(-c2ccccc2)c(C=NNc2ccc(C#N)cc2C(F)(F)F)c1Cl	799491912	ICSKCSJUZKDTCQ-UHFFFAOYSA-N	403.795	5.077	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1	806270403	ZELILDACWDGMSG-UHFFFAOYSA-N	419.529	5.570	30	20	HKED	
COc1cc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(OC)c1O	809635256	DSKLHQYFKMJWDB-UHFFFAOYSA-N	424.884	5.126	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccc2)c(OC)c1	914482177	MJWPNEFZFXXXGM-UHFFFAOYSA-N	414.505	5.198	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1	916844041	TWFCSKAYUGKGHX-OAHLLOKOSA-N	422.506	5.874	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)s1	916902997	JVEHOJYJWCCRJZ-IBGZPJMESA-N	420.509	5.640	30	20	HKED	
CCOc1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1	916954489	IIFARWLCGLOPFI-KKSFZXQISA-N	410.539	5.038	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1	920106104	KQCAGYXTHGPVFQ-QFIPXVFZSA-N	424.525	5.974	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CCCCCC(C)(C)C)C3)c1	1846828494	GNUMWNMFZYMFOH-HXUWFJFHSA-N	423.601	5.127	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccc(Cl)cc1	6071958	ZBCYJVRKFPPSBN-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(C)cc2C)cc1	10168363	NYIRWRKNAMFSRR-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)/C=C/c2ccccc2C#N)c2ccccc2)c1	11183820	ZIQDBQPWFQNBLQ-MIFWMJNYSA-N	410.473	5.112	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(C)c1	16862918	PVESDZLNUNWEOP-GOSISDBHSA-N	420.582	5.682	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	41549371	LTWRMHFNPAQYRN-GFCCVEGCSA-N	412.339	5.407	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)[C@@H](C)c1ccc(C#N)cc1	45500018	OHYPDWICXXIAKU-INIZCTEOSA-N	403.507	5.095	30	20	HKED	
COc1ccc2oc([C@@H](C)NCc3ccc(OC)c(OCCCC#N)c3)c(C)c2c1	237320047	YSVVWOBRBXDMAT-QGZVFWFLSA-N	408.498	5.292	30	20	HKED	
CC[C@H](Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1ccc(C#N)cc1	426315102	SRSPRWQBBOJGRN-QHCPKHFHSA-N	405.523	5.063	30	20	HKED	
CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	428714355	ZDVIYRPQQVCRNE-LBPRGKRZSA-N	409.433	5.003	30	20	HKED	
Cc1cc([C@@H]2CCCN2Cc2nnc(-c3cccc(C#N)c3)o2)ccc1Br	430213010	ADZQHFKHWUDWOG-IBGZPJMESA-N	423.314	5.016	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](c1ccccc1)c1ncc[nH]1	433141771	BIBTXCKAFRLDLI-UZLBHIALSA-N	405.527	5.057	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)[C@H](C#N)CCc3ccccc3)C2)nc2ccccc21	433343144	MDPPVQWUGAYWQB-VXKWHMMOSA-N	414.553	5.096	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1)c1ccccc1	433746370	DXQURDYTEKQVDF-IBGZPJMESA-N	408.408	5.319	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C	437475940	CZRIPIRKCASKOC-BFUOFWGJSA-N	423.340	5.483	30	20	HKED	
C[C@H](Nc1cccc(CSC2CCCC2)c1)C(=O)N(CCC#N)c1ccccc1	439595575	MHPXLMZSXKPHKT-IBGZPJMESA-N	407.583	5.610	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@@H](c3cccc(C)c3)C2)cnn1-c1cccc(C#N)c1	439685114	XOBHXDWWZIXCLV-OAQYLSRUSA-N	413.525	5.026	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1	440321773	AATUKRVFPKAFHM-UHFFFAOYSA-N	423.451	5.134	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@H]1CCN(CC)[C@H](C)C1)c1ccc(C(F)(F)F)cc1	442286276	SWZHJABPPYUJGC-UXPWSPDFSA-N	411.512	5.227	30	20	HKED	
CC(F)(F)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	444444054	YMQXZCWOBSQOMO-UHFFFAOYSA-N	408.473	6.215	30	20	HKED	
COc1cc(CN[C@@H](CC(F)(F)F)C(C)C)ccc1OCc1cccc(C#N)c1	445880063	KNPLESCEWMEMSX-IBGZPJMESA-N	406.448	5.212	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)c1ccc(F)c(F)c1	460168720	RQHLMJCUBFSANJ-MRXNPFEDSA-N	406.432	5.466	30	20	HKED	
C[C@@H](CCc1cccn1C)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	460471602	VCICLCJMDIQUEV-INIZCTEOSA-N	407.901	5.094	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21	460566018	JMCCQEKCMKGHTC-RBZQAINGSA-N	413.569	5.003	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1	461202103	RABPRLXWUYRNMS-UHFFFAOYSA-N	422.513	5.096	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)sc2C)cc1	464408428	DIGNIRNPIJECQO-KRWDZBQOSA-N	416.424	5.636	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OCCC(C)C)CC2)cc1	464919249	SFDWWPYUJPPNKY-UHFFFAOYSA-N	406.526	5.326	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cl)ccc2Cl)cc1C	465446462	DRRBRXBGTYFZHA-UHFFFAOYSA-N	413.308	5.640	30	20	HKED	
CC[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1nc(C(F)(F)F)cs1	466692602	CLBIRAURCLITOA-JYJNAYRXSA-N	422.476	5.094	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	473799774	UYXNDNJOIACMIL-QFIPXVFZSA-N	420.900	5.305	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(Oc2ccccc2)nc1	475569502	AHGRXJXBVHMSIZ-UHFFFAOYSA-N	401.510	6.048	30	20	HKED	
C=CCCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)CC1	475895389	CEDMWSFITIPHFF-UHFFFAOYSA-N	407.489	5.101	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(Sc2ccc(Cl)cc2)o1	476107072	CZNPAKSPBPSNDD-UHFFFAOYSA-N	413.886	5.414	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1	476344137	WIAQKOJWABQHPL-QGZVFWFLSA-N	403.309	5.088	30	20	HKED	
C[C@H]1CCN(c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccn2)C1	478091325	VQRWDKWPCFBLJH-KSSFIOAISA-N	422.941	5.195	30	20	HKED	
CCOc1c(Cl)cccc1CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	478687015	LLGSGEFCEXMKEF-UHFFFAOYSA-N	421.884	5.287	30	20	HKED	
CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(F)c1	480824195	YNWJPZMJWKOMPT-WIYYLYMNSA-N	423.488	5.085	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2CCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	482555949	JRCABNONTGNVDI-QGZVFWFLSA-N	403.507	5.033	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	482653118	WSDCDAGEDSZYPZ-UHFFFAOYSA-N	422.350	5.232	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1)c1ccc(F)c(F)c1	483124838	VFJXLNOUOJVKLR-FZKQIMNGSA-N	404.461	5.073	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)Oc1ccccc1F	483619129	GLNPUDSAHFMUPC-HOTGVXAUSA-N	401.507	5.057	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC(F)(F)F)cc1	484157979	JMGKOPSRBVRDNA-KGLIPLIRSA-N	423.460	5.720	30	20	HKED	
C=CCN(C(=O)c1ccc(C#N)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	487213346	XQKUTKFPNSCPAJ-UHFFFAOYSA-N	420.346	5.883	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4nccc(C)c4c3C)n2)cc1	490735712	VRGOMAFHYZOFIG-INIZCTEOSA-N	419.531	5.535	30	20	HKED	
N#Cc1cccc(-c2cnc(CNC(=O)c3cc(-c4ccccc4)ccc3Cl)[nH]2)c1	493962378	ZLLHCUJQYUVNEH-UHFFFAOYSA-N	412.880	5.199	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	495445407	UWQXMUSXBKXEOB-SFHVURJKSA-N	423.586	5.436	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccc(Br)cc1	499381365	IBGYKXBFHUPBLJ-LJQANCHMSA-N	409.283	5.023	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N(Cc1ccco1)c1ccccc1C#N	501002197	UEYLGTWQMNDLAE-UHFFFAOYSA-N	405.504	5.492	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c(C)c2c1	502305829	QUSMTNSCBYEUIV-QGZVFWFLSA-N	415.493	5.181	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)Nc1ccccc1CCC(F)(F)F	504971839	XMSMSPSXEYVHQD-UHFFFAOYSA-N	424.316	5.906	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1	505022348	CZJLMOVMNUUQFF-FQEVSTJZSA-N	402.441	5.012	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)CC(C)C	505954699	PMDMPLVVHVPUHT-LJQANCHMSA-N	418.324	5.281	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](CO)c1ccc(Cl)cc1	506790744	SSWCVGFUGDCYOX-OAQYLSRUSA-N	406.869	5.027	30	20	HKED	
Cn1cc(Oc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cn1	509471517	OLADENJRYUEWHA-UHFFFAOYSA-N	410.433	5.129	30	20	HKED	
Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510023245	KQZHJSWNFAJHNZ-OFNKIYASSA-N	418.928	5.703	30	20	HKED	
CC[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(C)cc1	510238723	ANXNRQIHGSQHLJ-SFHVURJKSA-N	423.567	5.283	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	514149064	YHMXQVNVCVGZMW-IBGZPJMESA-N	412.493	5.204	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)cc1Cl	517517865	KYOGUHCBYRZBQN-NSHDSACASA-N	409.736	5.749	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccccn1	517530220	PZABHYYXEWABSW-JTSKRJEESA-N	402.523	5.387	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	518175570	ZFNAMZVJFVPCDK-KRWDZBQOSA-N	405.866	5.609	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccc4ccccc4c3)C3CC3)cc2)nc1	521954492	QLHFFSPTXMQUPK-UHFFFAOYSA-N	419.484	5.704	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1	522389693	HKZCSEPUHNPVJZ-DEOSSOPVSA-N	412.489	5.123	30	20	HKED	
C=CCN(C(=O)c1ncoc1CC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	523510699	XAGXRMRBEOROJU-UHFFFAOYSA-N	415.518	5.860	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](Cc1ccccc1)c1cccs1	524205200	WSXHDSPSLJNDRE-OAQYLSRUSA-N	421.522	5.338	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)cc2)c1	524831099	QLWNXHLGKYQXNN-HSZRJFAPSA-N	415.449	5.162	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(N4CCCCCC4)c3)CC2)c1	524936521	MQDRYYZQJIESNY-UHFFFAOYSA-N	418.541	5.014	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)nc(C)n1	525000721	WYCZRFMCLBWAJS-FQEVSTJZSA-N	400.482	5.068	30	20	HKED	
COc1cc(C#N)cc(Br)c1OCc1ncc(-c2ccc(Cl)cc2)o1	531931883	ZIMNJEQIHKFTJY-UHFFFAOYSA-N	419.662	5.217	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccccc2SCCC#N)cc1	536177998	MJSUFLNCCXXEJG-OAQYLSRUSA-N	421.566	5.118	30	20	HKED	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	536913692	FMFSQLYEQVVMAD-UHFFFAOYSA-N	424.504	5.204	30	20	HKED	
CC(C)C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1	538616863	BELHEVHTJBLFKE-OALUTQOASA-N	411.477	5.205	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1	541358274	YSJHCCMXDRFWTG-QHCPKHFHSA-N	418.518	5.056	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1	541424075	YLTUQAVCNTZETK-IEBWSBKVSA-N	422.598	5.526	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC2CCC(OC)CC2)cc1	541746504	XVLSWYXNEISZAB-UHFFFAOYSA-N	423.513	5.076	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N(C[C@@H](C)C#N)C1CC1	542391101	NQURHDGKLOVODN-ZDUSSCGKSA-N	408.502	5.567	30	20	HKED	
N#CCC1CCN(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)CC1	543820556	YFKMDOJRMSRRID-UHFFFAOYSA-N	410.223	5.092	30	20	HKED	
N#C[C@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccccc1Cl	544058613	FDTGMLFLJMYOHQ-HNNXBMFYSA-N	405.763	5.008	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	548955624	LKLJSDVQPZYUMG-YOEHRIQHSA-N	411.493	5.667	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1Cl)CC1CC1	554447314	LBYIYKFJRQDARA-INIZCTEOSA-N	413.974	6.178	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	554997433	WDVLTZNSFDQADY-UHFFFAOYSA-N	411.465	5.061	30	20	HKED	
CN(Cc1cccc(Cl)c1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	557349439	HRMJAMMLISVVMP-UHFFFAOYSA-N	416.352	5.130	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)c1ccccc1C#N	561506856	CIAXOKDGYVECQW-KRWDZBQOSA-N	417.490	5.180	30	20	HKED	
Cc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571769176	RIRNPBLGKPLCCP-GOSISDBHSA-N	400.482	5.149	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@](C)(C#N)C1CCCCC1	579213870	LGIJHICMSPNWNI-JOCHJYFZSA-N	413.518	5.040	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)o2)c(C)c1	589276464	NNGGTXRPAPQTRN-UHFFFAOYSA-N	416.506	5.197	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)sc2c1CCC2	602755151	WSWFYUSCEUYCBK-UHFFFAOYSA-N	414.486	5.686	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1	603739344	SABIWDMSWMEUJX-UHFFFAOYSA-N	400.494	5.041	30	20	HKED	
CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	603969839	YCPUROQOHAWCMP-CQSZACIVSA-N	421.547	5.364	30	20	HKED	
N#C[C@@H](C(=O)c1cnn2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	604929783	UTLMMUBACGGUBU-ZDUSSCGKSA-N	413.289	5.255	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC[C@H](COCc2ccccc2)C1	608273014	AQZNKEFAXYXOKU-QFIPXVFZSA-N	416.546	5.219	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	608915589	OFUHXEMGEJVFRD-UHFFFAOYSA-N	412.493	5.253	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(F)c(Cl)c1	609080430	XEFSWKLOQBUBPI-UHFFFAOYSA-N	423.875	5.560	30	20	HKED	
C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609123761	WXTKWJQYLNFTGI-HNNXBMFYSA-N	409.486	5.091	30	20	HKED	
Cc1ccc(Cc2sc(NC(=O)c3cc4ccccc4n3CC#N)nc2C)cc1	609165043	NIWMRHNSJQPSDJ-UHFFFAOYSA-N	400.507	5.081	30	20	HKED	
CN(C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(C#N)cc1F	609261853	FBRVOBJDPOPGHJ-UHFFFAOYSA-N	408.860	5.135	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)oc1-c1ccccc1	609297815	GUPQZUIXHHCVMU-UHFFFAOYSA-N	424.460	5.280	30	20	HKED	
COCCOc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c1	609298448	PCYDUKHVFLJZIZ-UHFFFAOYSA-N	420.440	5.076	30	20	HKED	
CC[C@@H](C)N(Cc1ccccc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	609747472	XYRDYXSJKJIMLZ-YUVSOPLDSA-N	405.542	5.259	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1Cl	609807427	SUKTYSNVISXMSW-CTNGQTDRSA-N	419.937	5.964	30	20	HKED	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	610014608	FUDWZHCLFNAUSW-RDJZCZTQSA-N	417.431	5.218	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)c2c(Cl)cccc2Cl)c1C	610053430	AYOKUAKEMMCKHQ-ZDUSSCGKSA-N	413.308	5.410	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	613290309	BZODIYUYYAVCHR-QGZVFWFLSA-N	403.894	5.810	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1Cc2cccc(Br)c2C1	613769044	BNIKKCZLRCGTBT-CYBMUJFWSA-N	416.344	5.249	30	20	HKED	
C[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cccc(C#N)c1	614843890	KTBIMIYTLACECY-CYBMUJFWSA-N	400.356	5.208	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccccc2SCC(F)(F)F)c(OC)c1	644621305	FBBMFLKCWXWFGN-UHFFFAOYSA-N	411.445	5.096	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccco2)s1)c1nc(O)c2c3c(sc2n1)CCCC3	675907392	XBHQUGPTQBUVKP-LBPRGKRZSA-N	421.503	5.087	30	20	HKED	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1	726626691	JPOJLYJSTKJQGO-RQZCQDPDSA-N	400.912	5.016	30	20	HKED	
COc1cc(C=NOCc2nc(-c3ccc(C(C)C)cc3)no2)cc(Cl)c1OC	727470006	VXGFIBODTUFKPL-UHFFFAOYSA-N	415.877	5.081	30	20	HKED	
Cc1cc(C)c(Nc2nn(CN(CCC#N)CC3CC3)c(=S)s2)c(Cl)c1	728904635	NYJGBGUNCXUPPE-UHFFFAOYSA-N	407.996	5.271	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c(Cl)c1OC	730435198	ZKCUNUNSHMWOTP-VQHVLOKHSA-N	412.825	5.212	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1	731195552	KUYMCGMLQAXOIQ-INIZCTEOSA-N	420.296	5.335	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2C)cc1	731349830	SWUHKPPOOSZBTI-KRWDZBQOSA-N	419.550	5.749	30	20	HKED	
CCc1cccc2c(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c12	731769204	LUCQVJCGZCOXNM-INIZCTEOSA-N	421.472	5.551	30	20	HKED	
COc1cc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cc(Cl)c1O	731937604	KCQBSEXMFFRTRQ-XYOKQWHBSA-N	415.873	5.529	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	732496990	JOMVPOPDEMHFRL-QUCCMNQESA-N	408.548	5.566	30	20	HKED	
C#CCOc1ccccc1CNC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1	734171262	GXDKYHDKYPLMCI-LJQANCHMSA-N	404.535	5.233	30	20	HKED	
C=CC[C@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccncc1	734456459	ZSZYLDTVPLVXKU-QHCPKHFHSA-N	406.913	5.290	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(OCc2cc(Cl)ccc2OCC#N)cc1	742363256	YIRKWNUBESSANE-UHFFFAOYSA-N	402.878	5.193	30	20	HKED	
O=C(/C=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)c1c(Cl)nc2sccn12	743055685	ITCZWRIJTRZCFA-PKXJPQMGSA-N	423.321	5.157	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1	744028583	KJWUJRDLTXPFHV-GOSISDBHSA-N	408.379	5.041	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744073838	HAPVKWMZTYDIMP-BBRMVZONSA-N	414.452	5.673	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccccc1Cl	745724218	MZTHSSQIEVXRDM-UHFFFAOYSA-N	409.917	6.063	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC)c1ccncc1	745827246	HYIRDSPINNXVPI-GMAHTHKFSA-N	421.928	5.450	30	20	HKED	
COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2C)cc1C#N	746742147	PGPSKAYIIAJGAV-UHFFFAOYSA-N	408.505	5.018	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N2CCCSC2=Nc2ccccc2)cs1	746759262	FFKUZXRHQAYYSD-UHFFFAOYSA-N	409.536	5.086	30	20	HKED	
CCOCc1cc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)ccc1OC	747612556	FUYPIQCEGMVZFY-WMZJFQQLSA-N	406.434	5.086	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccnc1Br)c1ccc(C(F)(F)F)cc1	749942716	CUVSKJVEUCXYMY-OAHLLOKOSA-N	413.237	5.300	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1	751005481	SUMKYRWHOOCVGI-JFIYKMOQSA-N	415.584	5.262	30	20	HKED	
CN(C)C(=O)Sc1cccc(CNc2cccc(OCc3cccc(C#N)c3)c2)c1	753121548	FDZDYBRYHYMEAF-UHFFFAOYSA-N	417.534	5.523	30	20	HKED	
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	754112074	CLNBGUPLLNGQQV-FOWTUZBSSA-N	414.421	5.004	30	20	HKED	
C=C(C)[C@H](C)OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	755987972	IADZHNGDQWWNSY-UONOGXRCSA-N	414.552	5.193	30	20	HKED	
CC(C)CC1(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCC1	756569173	FTRZOUVDBRMDOF-KRWDZBQOSA-N	402.560	5.169	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C/c3csc(-c4ccc(Cl)cc4)n3)cc2N1	758024263	BUMPXNRLJPKHHH-AATRIKPKSA-N	418.952	5.465	30	20	HKED	
O=C(/C=C\c1ccc(C(F)(F)F)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	761477908	BPEWYFYSGVSKQS-XFFZJAGNSA-N	414.470	5.379	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nn(CN2[C@H]3CC[C@H]2c2ccccc23)c1=S	765027262	WVSATLSVSZDDDW-VXKWHMMOSA-N	418.566	5.337	30	20	HKED	
C=CCn1c(SCCSc2cc(Cl)ccc2Cl)nnc1-c1cnccn1	765358525	HLKZESIFZKVKHH-UHFFFAOYSA-N	424.382	5.112	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN(Cc1cccc(-c2cccnc2)c1)C1CC1	767432191	XQNWDIXQWBCLSH-UHFFFAOYSA-N	403.913	5.469	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(OCCCC)cc1Cl	769907748	JOEPDMNWNDTOBE-UHFFFAOYSA-N	407.901	5.268	30	20	HKED	
O=C(CCCC(F)(F)F)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F	770751514	XNFZODVTZRRJED-NSHDSACASA-N	411.111	5.467	30	20	HKED	
Cc1cc2c(cc1C)[C@H](C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CO2	770841558	NSHKWPRAEVRQCR-LSDHHAIUSA-N	416.424	5.284	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)Cc2csc(-c3cccs3)n2)cc1	774576172	ABRUWYDNDQGDGX-UHFFFAOYSA-N	412.536	5.062	30	20	HKED	
C=CC[C@H](NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccncc1	776150527	PTPFPEPGLZQDEW-KRWDZBQOSA-N	404.495	5.068	30	20	HKED	
COc1ccccc1[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl	776164662	VSJOCECULKVMGO-XDHUDOTRSA-N	406.913	5.691	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1	779103093	AHESLYRISSRAIC-ISKFKSNPSA-N	401.466	5.155	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=S)Nc1ccc(Oc2ccccc2)cc1	783789733	QZPVRHOURPOKEH-UHFFFAOYSA-N	419.506	5.185	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc(C(F)(F)F)c1F	785879573	CMTVUTZKXNEXJA-INIZCTEOSA-N	414.358	5.267	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC=C(c3ccccc3)C2)c1=S	789546570	RXHRBLZGHPEHAA-UHFFFAOYSA-N	418.566	5.022	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(OC(C)C)c(Cl)c2)ccc1OC	793541178	PVDXJMFLRYEMJP-APWZRJJASA-N	416.949	5.668	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)s1	797572116	YWRZSTLGKFZSCM-HUUCEWRRSA-N	424.595	5.143	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccc(F)cc1OCC#N	798213800	QZGSWUUSVZSVBH-UHFFFAOYSA-N	420.227	5.251	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3cccs3)n2)s1	800411619	MIHVUQYKZYDFJE-GFCCVEGCSA-N	415.609	5.780	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1sc2cc(Br)ccc2c1Cl	803299398	KJCHLFCACCHWSE-UHFFFAOYSA-N	420.719	5.483	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1	808839471	PRUOXYVNOGKHME-UHFFFAOYSA-N	422.287	5.446	30	20	HKED	
Cc1oc(-c2ccccc2)nc1Cc1noc(-c2cn(CCCC#N)c3ccccc23)n1	809276275	LQYOJSGDRRUDDH-UHFFFAOYSA-N	423.476	5.549	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)[C@H](C)c1ccc(C#N)cc1	914509110	BYCJGXVTUWBDRZ-CJAUYULYSA-N	424.500	5.236	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915351744	BYBAQRSRVAARIJ-OSPHWJPCSA-N	412.493	5.183	30	20	HKED	
Cc1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916905081	MBGXCEVRXCSMCN-HXUWFJFHSA-N	416.502	5.227	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ncc(Cl)cc2Cl)cs1	917538802	TUZSJNWYXZHIMN-UHFFFAOYSA-N	420.325	5.284	30	20	HKED	
Cc1cc(NN=C2CCC3(CC2)C(=O)Nc2ccccc23)nc2ccc(Cl)cc12	917542824	SRWJCTYCWUMMIK-UHFFFAOYSA-N	404.901	5.429	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCC	920106754	ZVBJXZAYDGLHQG-IBGZPJMESA-N	418.493	5.259	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(SC)cc4)CCC3)cc2)C1	1785810462	LYXOWZSZEPKUAV-UHFFFAOYSA-N	420.578	5.051	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1	1808946946	WUSPPEHRTIOUMW-UHFFFAOYSA-N	402.623	5.180	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(C)c1	10241325	LDWOHKBCEBKHPE-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
C=CCn1c(S[C@@H]2CCCc3ccccc32)nnc1[C@H]1COc2ccccc2O1	117204708	PXCMICCYHQLPBS-NHCUHLMSSA-N	405.523	5.146	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)c1	211778557	BHMGBHWZLAGRMK-QXMHVHEDSA-N	407.901	5.056	30	20	HKED	
C[C@H](Nc1nc(N[C@H](C)c2cccc(C#N)c2)sc1[N+](=O)[O-])c1cccc(C#N)c1	301441572	MMCVZIZCZHXTGI-UONOGXRCSA-N	418.482	5.141	30	20	HKED	
COc1ccc(-c2nc(CSc3nc4c(cc3C#N)CCCC4)cs2)cc1OC	302937683	IWHNBFDPWVCTII-UHFFFAOYSA-N	423.563	5.265	30	20	HKED	
COC(=O)C12CCC(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)(CC1)C2	428180944	ZQTLGFFUGQIQJG-NNAHLOSHSA-N	422.912	5.057	30	20	HKED	
C[C@@H]1CCCN(Cc2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)C1	431825511	TUNXLZJBCKXWTB-PXDATVDWSA-N	418.585	5.153	30	20	HKED	
CC[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccccc1OC(F)F	431841627	COCAABCUILHEOR-MOPGFXCFSA-N	401.457	5.473	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1	431986846	NZGDCENEJQSCHG-IRXDYDNUSA-N	404.297	5.161	30	20	HKED	
Cc1ccc2c(c1)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)C2	432079913	SZFXVXICIFQOIQ-UHFFFAOYSA-N	417.896	5.647	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@](C)(CCc2ccccc2)C1	435135353	OSLXKEXGLLINSF-CYFREDJKSA-N	407.583	5.958	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)on1	438663640	FGMPUIJVISVOBO-GOSISDBHSA-N	406.417	5.155	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1	438852459	BCDOGJLZGNSBPY-JOCHJYFZSA-N	400.526	5.410	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2o1	443528096	CVKMSKVJROGQPL-CYBMUJFWSA-N	411.280	5.604	30	20	HKED	
FC(F)n1ccnc1CNc1cc(C(F)(F)F)ccc1SCC(F)(F)F	443537194	ILVOZSFVUFLPPI-UHFFFAOYSA-N	405.314	5.564	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)s1	443873335	CJSYZSRPRWHVPH-LBPRGKRZSA-N	409.536	5.192	30	20	HKED	
C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OCc2ccccc2)c1	444692478	BVMPIJCOKTXCLR-SFHVURJKSA-N	410.477	5.038	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1CCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1	446589657	LSWMDOBMTWCEGA-IBGZPJMESA-N	412.537	5.212	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)n1C	448402030	ATCXYEOOIZDMCV-UHFFFAOYSA-N	424.464	5.099	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	460677957	OFTKAYWQAJDLAX-QZTJIDSGSA-N	404.297	5.043	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@H](C)c1cccc(C#N)c1	462135261	PNTQNBMCQXXALY-MRXNPFEDSA-N	412.468	5.302	30	20	HKED	
CC(C)(C)c1nc2ccc(NCC(=O)Nc3ccccc3SCC#N)cc2s1	462175063	JIJVIUCCFQIIET-UHFFFAOYSA-N	410.568	5.260	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC(c4ccccc4F)C3)c2)cc1	463484676	NQFHZKGEBFJENU-UHFFFAOYSA-N	415.468	5.102	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1cc(C(F)(F)F)ccn1	464418549	SEQKNFSJFOABNT-ZDUSSCGKSA-N	407.804	5.367	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1cc(C(F)(F)F)ccn1	464420787	ZKGYDRSJGHLSOC-INIZCTEOSA-N	418.321	5.661	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C2CCCCC2)no1	464702371	HXGYHGSQQJWWOS-MRXNPFEDSA-N	416.481	5.272	30	20	HKED	
Cc1cnc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)s1	466115910	KWOWPUCGXUJMTD-NRFANRHFSA-N	418.522	5.697	30	20	HKED	
CCCc1c(NC(=O)Nc2cc(Cl)c(Cl)cn2)cnn1-c1cccc(C#N)c1	466655103	DJXQVSRTGNGAPU-UHFFFAOYSA-N	415.284	5.042	30	20	HKED	
N#Cc1ccc(NCc2ncc(-c3ccc(Br)cc3)o2)cc1C(F)(F)F	467269439	SASMGYOSUPTGCQ-UHFFFAOYSA-N	422.204	5.607	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	470627375	PSDLZQDPRPPTEB-SJKOYZFVSA-N	408.807	5.417	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)o1	472687579	RBIHXPHJLHVDBM-PZJWPPBQSA-N	423.900	5.406	30	20	HKED	
COc1csc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	473948252	KDYNKNHSZNABHP-GFCCVEGCSA-N	409.319	5.677	30	20	HKED	
N#CC[C@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1	474952623	JIWKGEQGTNVPLC-XMMPIXPASA-N	411.480	5.314	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1	475563126	QBDUGOZXUZDSRA-QGZVFWFLSA-N	404.514	5.395	30	20	HKED	
CC(C)(C#N)CCCSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2	476475431	FCRFHUDMPLKYIR-UHFFFAOYSA-N	420.538	5.144	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1cc(C#N)c[nH]1	479829395	MJVXAAYEPBDDFF-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
Cc1c(Br)cccc1CC(=O)Nc1ccccc1SC[C@H](C)C#N	480105517	BIKHBVZOLWQILW-CYBMUJFWSA-N	403.345	5.191	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F	480740204	LMVHIBIJJOPUKC-UHFFFAOYSA-N	411.477	5.095	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H]1CCc2ccc(F)cc21	481364965	BNHXJDBQEOLEIC-LIRRHRJNSA-N	400.544	5.437	30	20	HKED	
CN(C(=O)NCc1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	483678276	JKNSIMOTHSTTAG-JOCHJYFZSA-N	407.876	5.282	30	20	HKED	
C=CCCCN(C)C(=O)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	483824496	TYXRGCVMBNQDKQ-UHFFFAOYSA-N	423.900	5.044	30	20	HKED	
CC(C)CN(CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1	485052563	LAXCQZZHBOZTMM-UHFFFAOYSA-N	403.448	5.064	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(Cl)c3Br)CC2)cc1	485240293	USHCLMSYYURSNH-UHFFFAOYSA-N	416.706	5.295	30	20	HKED	
Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)sc2cccc(F)c12	487326267	SMOUULJQHNXJOD-UHFFFAOYSA-N	407.495	5.520	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1cc(Oc2ccc(F)cc2)ccn1	488274840	VUBSXOHDXNJUGS-UHFFFAOYSA-N	406.367	5.323	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	489090340	JGLHMOWQSAJQKS-UHFFFAOYSA-N	421.419	5.787	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4ccccc4)o3)o2)cc1	489783229	KIZAWYGHRIKZRJ-CQSZACIVSA-N	406.467	5.205	30	20	HKED	
C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1	490976210	RARCTLOWGALBOK-AWEZNQCLSA-N	406.873	5.424	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1	494168465	NDGNEJOFACAITN-UHFFFAOYSA-N	411.571	5.111	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1	498416370	ZKMAIEFKPWMMET-UHFFFAOYSA-N	422.916	5.142	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)c1c(Cl)cccc1Cl	499857641	AFFSLNPSVRCGPY-CQSZACIVSA-N	410.207	5.071	30	20	HKED	
C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nnc(-c2cccs2)o1	501055820	GRUFWLYREQMTDV-LBPRGKRZSA-N	420.519	5.667	30	20	HKED	
N#C[C@H](C(=O)c1c2c(nc3ccccc13)CCC2)c1nc2cc(Cl)ccc2s1	505438715	CDHLXCLRGJBZDK-OAHLLOKOSA-N	403.894	5.477	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccccc1Cl	505701004	TUXFYAKJYLYSRH-MRXNPFEDSA-N	410.886	5.040	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	506478906	CKJBPKZNYNQMQQ-FQEVSTJZSA-N	403.844	5.187	30	20	HKED	
CC(C)c1ncc(CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cn1	508316359	LPFUDUHZVPZNJB-UHFFFAOYSA-N	420.900	5.190	30	20	HKED	
N#Cc1c(NC(=O)Cc2cccc(Br)c2)sc2c1-c1ccccc1CC2	508974538	DGSDMGSCZLCQPB-UHFFFAOYSA-N	423.335	5.329	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511546988	RRZQCWBYIBLRGX-AQNXPRMDSA-N	419.422	5.301	30	20	HKED	
N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc2ccccc2s1	513687729	YXUVCNCUMNTGIK-IBGZPJMESA-N	407.498	5.789	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nc2ccccc2s1	513734043	ZICRCKCEHLEWJR-SECBINFHSA-N	409.667	5.341	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2C)c1C	515172181	UVTCGUFCVDWLBH-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cnn1C(C)(C)C	515713088	HFPAYHDDGVIIMI-UHFFFAOYSA-N	422.916	5.770	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1OCC	521826563	IWHLPCFZLCMOBT-PBHICJAKSA-N	420.347	5.419	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	524622834	NFDKGQVIOOSXEE-UXHICEINSA-N	422.598	5.209	30	20	HKED	
COc1cccc(Oc2ncccc2CNc2c(C#N)cnc3c(F)cc(F)cc23)c1	525461749	HYFXMACFDXFPLP-UHFFFAOYSA-N	418.403	5.193	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cnc(-c3ccccc3)s2)c1	535076183	JRLGNXIOFVMDAC-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
COc1ccc(CSCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C#N	536191850	KRNAGRNTYBZOQE-UHFFFAOYSA-N	406.294	5.357	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccccc1	537078697	OMXNCEJHZYABGW-MAUKXSAKSA-N	421.488	5.303	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cc3)cc2)CC1	538560508	JCZZLYKREVLFLW-UHFFFAOYSA-N	414.415	5.316	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C3)cs1	538963141	IWFWSRRHBKXIJC-UHFFFAOYSA-N	414.943	5.295	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	539317740	YJINJBDXCFWUGA-LJQANCHMSA-N	419.460	5.199	30	20	HKED	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1Cl	542993341	CYDLLROACIFWLQ-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)cc1	543228773	AOWDKCKIEOPJNS-UHFFFAOYSA-N	410.473	5.358	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)cc1	543468555	LIKNZTKSIMCWQU-UHFFFAOYSA-N	406.869	5.189	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F	544403370	NLGLLLPZYFMNFB-UHFFFAOYSA-N	414.431	5.154	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2ccc(C#N)c(Cl)c2)cc1	548612359	PMRZKQBTKDQDAU-HSZRJFAPSA-N	403.913	5.421	30	20	HKED	
Cc1cc(C#N)cnc1-c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1	551381664	VAJYCDDOQQLORE-UHFFFAOYSA-N	423.354	5.185	30	20	HKED	
N#Cc1ccncc1C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1	553949104	HHQYUWWDHVORGP-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
COc1ccc([C@H](C)CCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	568936489	DNAQWAQUHBBZRM-QGZVFWFLSA-N	416.481	5.069	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c2ccccc21	572203028	JOHQJPNYJLIFII-UHFFFAOYSA-N	409.873	5.012	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)ccn1	574369395	HQXWMTAMXIUZQK-RPWUZVMVSA-N	423.476	5.049	30	20	HKED	
N#Cc1ccc2ncc(CN(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)n2c1	580603382	WYORDGNXBFMHPW-UHFFFAOYSA-N	422.319	5.110	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	580679963	YIIITGFUNYWUGP-RPWUZVMVSA-N	417.597	5.524	30	20	HKED	
N#CC[C@H](Cc1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1)c1ccccc1	589143004	NBQNAOFORQPKJZ-CYBMUJFWSA-N	408.235	5.756	30	20	HKED	
Cc1nc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	591618612	IDDUQZBXRNPNFQ-MSKUQQPNSA-N	416.635	5.032	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)COc3cc(Cl)ccc3Cl)cn2)cc1	603764737	KTQMZVMFMKDOJT-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
CC(C)c1ccc(OC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cc1	603828031	VCHDNQJWSGDJAB-UHFFFAOYSA-N	405.542	5.686	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3CCc3ccccc3)cn2)cc1	603828947	GBDDIEBATPTBHS-QFIPXVFZSA-N	412.493	5.375	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(OC(C)C)c(Cl)c1	603960335	KICICYUPFRYPEX-UHFFFAOYSA-N	422.872	5.142	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	608918076	KQTBZSQIRBSNGT-JOCHJYFZSA-N	423.969	5.983	30	20	HKED	
CCC(CC)(CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)O	609076312	XUJRDCIMJRXIOH-UHFFFAOYSA-N	414.889	5.010	30	20	HKED	
C[C@H](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccccc1F	609174574	ODZBJEIQQSAGBH-KOSHJBKYSA-N	402.469	5.279	30	20	HKED	
CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609339306	CMFJIVGTISDUQG-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cn1	609370728	RVKATVBYKHVRHY-LBPRGKRZSA-N	411.474	5.225	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1Cl	609378336	FEGZKUNMASKVRR-UHFFFAOYSA-N	419.255	6.270	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCOc1cccc(C(F)(F)F)c1	609398221	KWGJLCQHVCJXGD-AWEZNQCLSA-N	423.460	5.158	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Sc2ccccc2)c1	609398475	VZPWQZHEJLQEHQ-UHFFFAOYSA-N	417.534	5.390	30	20	HKED	
C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609436576	ASOFWMFADJYUJL-LJQANCHMSA-N	406.530	5.127	30	20	HKED	
COCCOc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609725204	MYZMSWLPYJTMOK-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCS[C@H](c4ccccc4)C3)cn2)c1	609807331	NUZFUDMSNAULNO-NRFANRHFSA-N	416.506	5.068	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1	610355816	DHJCOHUKYUSXLV-MOPGFXCFSA-N	413.521	5.697	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc(COCCc2ccccc2)c1	618751472	XZOKYUUTNLSEOK-VWLOTQADSA-N	411.505	5.127	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@@H]1CCc2cc(C#N)ccc21	619554601	XVSDJXFZCDKUCB-GOSISDBHSA-N	412.276	5.246	30	20	HKED	
CN(C)Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	622703565	JWEIBROEMDBWOD-UHFFFAOYSA-N	408.317	5.177	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(C)C	642281838	SOMINXNDBHDNCX-GOSISDBHSA-N	406.507	5.344	30	20	HKED	
Cc1cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)cc1F	672777166	BPTGKGANALKGKM-RKDXNWHRSA-N	420.756	5.819	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674446734	VSKARFBDVKYBPG-OASPWFOLSA-N	421.303	5.083	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(O)ccc1C(F)(F)F	684387400	JPCNBRAHDJHOTJ-YUMQZZPRSA-N	423.275	5.050	30	20	HKED	
CCN(C(=S)NCCc1ccc(Cl)cc1Cl)[C@H](C)c1ccc(C#N)cc1	726480957	PLQCLIVNGJBQMT-CQSZACIVSA-N	406.382	5.365	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1	729658374	XLHGSJQVVJUYBP-UHFFFAOYSA-N	405.376	5.176	30	20	HKED	
COC(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	730995409	QVSGOZHZIGEWLK-UHFFFAOYSA-N	423.416	5.142	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	731139332	QTCIENIMYOMXPC-WBVHZDCISA-N	408.473	5.775	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1	731644961	CXCKKIZBNVHDNA-QGZVFWFLSA-N	419.403	5.047	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC	733615803	XUOMJFCJAVCMBO-IBGZPJMESA-N	423.557	5.945	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cccc(OCc3ccccc3)c2)cs1)C1CC1	734304177	FTOWLVXRXKZXKX-RAXLEYEMSA-N	418.518	5.134	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3cc(F)ccc3C2=O)cs1	734305424	UXBAJXSHNBYDKT-UVTDQMKNSA-N	412.873	5.443	30	20	HKED	
Cc1ccc(-c2ncc(/C=C/C(=O)c3ccc(NC(=O)NC(C)C)cc3)s2)cc1	734306056	KKKPIGSQFMQYKJ-OUKQBFOZSA-N	405.523	5.545	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(SC(F)F)cc2)cc1OCCCC#N	734981770	TTYFEKGVSVMZQU-WMZJFQQLSA-N	403.450	5.589	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2cc(O)nc3cc(F)ccc23)s1	739503881	UQAJYELPINNGEU-UHFFFAOYSA-N	402.495	5.086	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740063671	FIURPJKDKPDLTB-UHFFFAOYSA-N	415.971	5.733	30	20	HKED	
CCOc1c(Cl)cc(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc1OC	741852772	RWELTOBYUBBPNF-YFHOEESVSA-N	421.884	5.009	30	20	HKED	
N#CCOc1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1	742260114	IHMFQANJAKSYQC-QFIPXVFZSA-N	407.311	5.231	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037925	JFQOTYZTBIDJBR-UTXMOHQDSA-N	424.488	5.865	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746439889	RLJZGUGFLIYCQY-BDJLRTHQSA-N	417.305	5.191	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1	747358827	JMJNXXPNLHEOIE-JWQCQUIFSA-N	413.496	5.084	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	747399331	RZMNQWISZPBLJS-UHFFFAOYSA-N	413.864	5.688	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	748326785	ICTGCUIFOBBHRU-UHFFFAOYSA-N	412.465	5.119	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)Cc3csc(-c4ccoc4)n3)cc2)cc1	748688067	NEMGQQODICEZOG-UHFFFAOYSA-N	402.431	5.215	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC4CCC(C#N)CC4)cc3)o2)cc1	755969006	HIZRKOKSAHFRMT-UHFFFAOYSA-N	401.466	5.199	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(F)c1	756589581	LPXZGNPFQHAEQS-QHCPKHFHSA-N	416.383	5.099	30	20	HKED	
Cc1cc([C@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccccc2Cl)ccc1F	760490071	FVQRIVOWSNLVIF-DEOSSOPVSA-N	422.887	5.138	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NCc2ccco2)cc1	763799551	BNUDXMOLKPJQJC-XMMPIXPASA-N	407.473	5.799	30	20	HKED	
Cc1cccc([C@@H](O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	768965068	HGFOXWIEHZEXTR-GMAHTHKFSA-N	419.912	5.159	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccccc4F)sc32)c1	772983496	KMPCCMFBPRVTLR-UWJYYQICSA-N	421.541	5.797	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCC2	780484890	GLWKYAWGJJIGHW-XZOQPEGZSA-N	413.525	5.319	30	20	HKED	
CCc1cnc(/C=C/C(=O)c2sc(/C=C/c3ncc(CC)s3)nc2C)s1	783705149	HVGKJHJKJXUPLT-BLHCBFLLSA-N	401.582	5.556	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccccc2F)CC1)c1nc(-c2c(F)cccc2F)cs1	785884025	FAZCEYKMQCBCAE-AWEZNQCLSA-N	412.436	5.427	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1	789451710	MHJCUVZIQABSJE-KRWDZBQOSA-N	407.514	5.378	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCc3ccccc3NC(=O)OC(C)(C)C)[nH]c12	790775629	BDGFHENTQBADKY-KRWDZBQOSA-N	418.497	5.027	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)c1nccc2ccccc12	792105244	LZCCBFQDUBKKOT-LJQANCHMSA-N	401.466	5.001	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)oc1-c1ccc(Cl)cc1	795981548	CTEPDSOFFRHIIK-APWZRJJASA-N	408.885	5.995	30	20	HKED	
Cc1ccc(C(=O)N(C)c2ccc(OC(=O)C[C@H](CC#N)c3ccccc3)cc2)cc1	796539513	WBAPWJDIDCQZFH-QFIPXVFZSA-N	412.489	5.265	30	20	HKED	
CC(C)(C)OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	796800708	YATXIYTYVNKVOA-CQSZACIVSA-N	411.354	5.888	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)s1	797573716	VEXMTQCQEHSLBI-LLVKDONJSA-N	422.000	5.698	30	20	HKED	
Cc1cc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)cc(C)c1OCc1ccccn1	806563012	QQIPYOSBZNKVMG-FOYGFLCZSA-N	413.473	5.116	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccnc2)CCCC1)c1nc2cc(C(F)(F)F)ccc2s1	808978946	RIZLTZJTFSNAQZ-HNNXBMFYSA-N	415.440	5.398	30	20	HKED	
CC[C@@H]1[C@H](C(=O)Nc2ccccc2S[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C	810370242	CKNVJZUFAIWXEU-LZLYRXPVSA-N	417.575	5.055	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](C=NOCc1ccc(C(F)(F)F)cc1)CC(F)(F)F	814881996	FCTUMUKFUYMJAI-CYBMUJFWSA-N	414.346	5.054	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1ccc(C#N)o1	815699892	NIPAZPWVPLPHMC-UHFFFAOYSA-N	402.429	5.449	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(N3CCSCC3)c(Cl)c2)c1	864009589	WFBHSERDJUUJIN-UHFFFAOYSA-N	422.779	5.139	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cc(F)ccc2SCC(F)F)c1	864012704	YFJJMXPNLKTSSO-UHFFFAOYSA-N	401.251	5.429	30	20	HKED	
N#C[C@@H](C(=O)Cc1c(F)cccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1	915103654	AGKMAJLAYKTDMD-NSHDSACASA-N	412.795	5.527	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OC(F)F)cc1	915353436	NIKPMRASJPQUBD-ZHRRBRCNSA-N	421.447	5.826	30	20	HKED	
CC(=NNc1cccc2ncccc12)c1ccc(OCC(=O)Nc2ccccc2)cc1	915964792	OPHXPTREPUAJRX-UHFFFAOYSA-N	410.477	5.088	30	20	HKED	
COc1ccc2c(ccn2CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916975945	GTRPSXGQEDDGCJ-GOSISDBHSA-N	421.909	5.303	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(C2SCCCS2)cc1	917713101	FKWUAEGSFOYQDK-UHFFFAOYSA-N	422.600	6.408	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1	920805923	HHECNKQTHAHWRY-SFHVURJKSA-N	418.468	6.051	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1	1789626123	KALMKDUTWRLIPY-UHFFFAOYSA-N	410.480	5.455	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)CCC1	1791534304	RZNQNLCJTJSQJI-NHCUHLMSSA-N	424.491	5.136	30	20	HKED	
C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCCCC(C)(C)C)[nH]n2)C1	1814397543	PXKCBLMLUQQJJM-HXUWFJFHSA-N	414.594	5.365	30	20	HKED	
COc1ccc(Cl)cc1-n1c(S[C@H](C)C#N)nnc1-c1cccc(Cl)c1	4254251	HDBMSMXRYIWRQA-LLVKDONJSA-N	405.310	5.254	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccoc1C	7172220	KMNGZYHRZFVYHI-AWEZNQCLSA-N	416.934	5.114	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C)cc2C)cc1	10168779	DWSXDDBQYQEHPY-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccccc2C)cc1	11166474	TYAQJRPWSCNHDX-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)c1	23603600	XYKNUYQJICDUSA-UHFFFAOYSA-O	420.602	5.576	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)n1	41519790	GGUDPTXRXNXLRQ-CYBMUJFWSA-N	412.927	5.304	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(-n2cccc2)cc1	49723945	STTXKDKJHIUDDR-UHFFFAOYSA-N	408.461	5.026	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(OC(F)F)cc1	71851249	JLEDBEYNLUZRHO-HNNXBMFYSA-N	424.472	5.802	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCc3occc32)cc1	97463760	SXKGIQBQFOYDON-QFIPXVFZSA-N	401.466	5.124	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1F	116552994	STXGLRSKUZVDBP-UHFFFAOYSA-N	420.440	5.078	30	20	HKED	
N#Cc1ccc2nc(N3CCC[C@@H](c4nc(-c5ccc(Cl)cc5)no4)C3)ccc2c1	302031820	IPRIDDHIIAKYSE-GOSISDBHSA-N	415.884	5.194	30	20	HKED	
COc1ccc(NC(=O)[C@@H](Nc2cccc(OCCCC#N)c2)c2ccccc2)cc1	302973602	OOGQANGMUUTYNL-DEOSSOPVSA-N	415.493	5.170	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3occc3COc3ccccc3)cc2)c1	303331890	JSWJXXRAEHYYCS-UHFFFAOYSA-N	410.429	5.775	30	20	HKED	
N#CCSc1cccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1	429951235	PHVMQTTWXNOFHB-JOCHJYFZSA-N	411.530	5.345	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C)cs1	438064005	IOOUXXTZPCGMOZ-JOCHJYFZSA-N	406.511	5.562	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)NCC2CCC(C#N)CC2)c2cnn(C(C)C)c2n1	441137190	SAMSIRILBIHRBB-UHFFFAOYSA-N	415.541	5.047	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc(-c2ccccc2)cs1	442668091	BOYVFNIGCDZJGY-SFHVURJKSA-N	412.474	5.228	30	20	HKED	
C=CC[C@@H]1N(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CCCC1(C)C	443858407	KITBEMIODCZAMF-INIZCTEOSA-N	405.951	5.075	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	444267080	TXTVLRZWAMQASQ-UHFFFAOYSA-N	416.525	5.490	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N(C)[C@H](C)CC#N	444388950	HTCYIDMLBDXPOT-MRXNPFEDSA-N	407.493	5.498	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1ccc(C#N)nc1	460330889	JRKSSOPFZFCWPR-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1	461346738	LJHDSANNHLOIIT-SFHVURJKSA-N	401.853	5.325	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)c2c(C#N)cnc3c(F)ccc(Cl)c23)cs1	463078453	RWQGEQGPPFCONI-LLVKDONJSA-N	404.898	5.089	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	464479755	XOHQXWIZMUVLPZ-IBGZPJMESA-N	421.378	5.563	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cl)c(Cl)cn2)cc1C	465462601	FUZLONRPSWARKI-UHFFFAOYSA-N	414.296	5.035	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(F)c(Cl)c1	468635676	RVPKLSILWIZMMS-ZDUSSCGKSA-N	408.951	5.745	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCCc3ccc(O)c(F)c3)c2)cc1	469342931	OAOFSPNUTYZSJQ-UHFFFAOYSA-N	418.468	5.138	30	20	HKED	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	470524543	WTKATCMOJCTBLJ-MRXNPFEDSA-N	415.921	5.068	30	20	HKED	
CCOc1ccc(Oc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)cc1	470744492	GZMVYRXZFPEWFR-FQEVSTJZSA-N	411.461	5.070	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NCc2nnc(-c3cccc(C#N)c3)o2)cc1	471682169	FPRVESPLXFWFIU-KRWDZBQOSA-N	412.518	6.074	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	474418222	RYQTXSJFSPXBFE-UHFFFAOYSA-N	409.939	5.203	30	20	HKED	
CO[C@H](C)c1nc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1	476938818	IFASCWDGBLHOFF-UONOGXRCSA-N	421.613	5.117	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	480093717	GUPXLHVHXVBEMQ-FQEVSTJZSA-N	422.495	5.115	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(F)c(F)c1	483306537	UPKRAWINRZXOSA-LEWJYISDSA-N	410.468	5.313	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(-c3cncnc3)cc2F)sc2c1CCCCCC2	484082369	RBKZLQONOFGROG-UHFFFAOYSA-N	406.486	5.127	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(CCC(F)(F)F)Cc1ccccc1	484160045	LJSIOCDIYAYHOS-MRXNPFEDSA-N	421.488	5.925	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccccc1Cl	485517882	IWINQAWUAGGNIB-HNNXBMFYSA-N	424.957	5.592	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)o2)cc1	489796117	YSLAMRFKVZGTJH-KRWDZBQOSA-N	423.538	5.346	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ncc(-c4ccccc4F)o3)o2)cc1	489807672	KEJWWEOIYZJCFK-UHFFFAOYSA-N	409.442	5.388	30	20	HKED	
COc1cccc(C[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	494299898	GYBGKJDIRXQBOE-GOSISDBHSA-N	416.546	5.220	30	20	HKED	
C=CCN(CC(=O)Nc1cccc(CSc2ccccn2)c1)Cc1cccs1	496170142	OYRWBBMRWKESAO-UHFFFAOYSA-N	409.580	5.062	30	20	HKED	
COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	497760816	BPMSDUCHTDBTHB-QGZVFWFLSA-N	401.466	5.112	30	20	HKED	
N#CC1(CCCN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)CCOCC1	499623703	DNLPZNMJAPXSGY-INIZCTEOSA-N	419.285	5.133	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N(Cc1csc(Br)c1)C1CC1	502876218	HSKLNQRCOLOFNV-UHFFFAOYSA-N	421.364	5.135	30	20	HKED	
CCC[C@H]1C[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1	503020325	PQGNHVZRGKKPHG-QUCCMNQESA-N	412.917	5.324	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2cccc3ccccc23)cc1	503175978	XPFNTIYMYRPYLM-VXKWHMMOSA-N	408.423	5.406	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)ccc21	503579395	MPYLZIMJZJGPRV-SFHVURJKSA-N	403.507	5.004	30	20	HKED	
C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C	504038419	SEEMIOBQTASKGU-MRXNPFEDSA-N	419.550	5.053	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)cc2)nc1	504170035	YUBNUSXCLDRGEQ-UHFFFAOYSA-N	415.783	5.253	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1	504795583	UYZOKKCKUJBADT-FQEVSTJZSA-N	421.566	5.754	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2ccc(C#N)cc2)cc1	505065066	KXSKKJNWHYOQRS-UHFFFAOYSA-N	411.505	5.289	30	20	HKED	
C=CCn1c(CCCc2cccs2)nnc1N1CCC(OC2CCCCC2)CC1	508956559	QXYHNJCHSIGKDV-UHFFFAOYSA-N	414.619	5.019	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1Cl	510004658	KEAWNVGYRJBNID-OAQYLSRUSA-N	421.953	6.253	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1	510861249	XCKYGSADBVXWLR-UHFFFAOYSA-N	405.672	5.016	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c1	513724506	KOEQNGWZMOJMGY-DEOSSOPVSA-N	414.480	5.124	30	20	HKED	
Cc1nc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2o1	513932973	CTCAHPRRCSESLM-UHFFFAOYSA-N	414.440	5.381	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	514223821	TXIWNJDZTAIYAI-YOEHRIQHSA-N	414.493	5.491	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl	518148633	YVXNCUPPJMBZLB-CHWSQXEVSA-N	408.354	5.684	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)cc2)cc1	518902284	ZXSRJNUAGHDMNY-UHFFFAOYSA-N	411.461	5.146	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	519401191	NBKPIOPOYRGZHZ-MRXNPFEDSA-N	420.559	5.310	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	520246545	SVYKAQXLLIRSGA-UHFFFAOYSA-N	415.946	5.118	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1	520715396	VYLQITJXPYKIOM-UHFFFAOYSA-N	415.449	5.865	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1	520797829	PMTNJNIUTVRWLP-UHFFFAOYSA-N	409.436	5.050	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCc2ccccc2)CC1	521811192	XARUSUAKWKUGED-SFHVURJKSA-N	409.555	5.294	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	523780951	PURNXZKTZVLPRI-GDLZYMKVSA-N	410.583	5.595	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1Oc1ccncc1	523797144	OTRUXDCHFIHASZ-FQEVSTJZSA-N	411.486	5.796	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2ccc(COC3CCCC3)cc2)cc(OC)c1OC	524797630	MDKOGZKESORMQN-UHFFFAOYSA-N	424.541	5.213	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1	532695380	NHOHSQFGORJWKJ-WSQGFLFRSA-N	418.512	5.579	30	20	HKED	
COc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1-c1ccccn1	533669070	UZOFTNLHNWOUOV-UHFFFAOYSA-N	412.474	5.005	30	20	HKED	
CCc1cccc(C)c1Nc1nnc(SCCCC2(C#N)CCOCC2)s1	537467416	NQFKPPNXWHWAKD-UHFFFAOYSA-N	402.589	5.345	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)cc2)cc1	539029860	ZYCCSEFQTSBNJX-YKSBVNFPSA-N	413.477	5.250	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CC1	541970570	QIPYRVMLSJCVBF-UHFFFAOYSA-N	403.404	5.655	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc2[nH]c(-c3cccs3)nc12	545384566	IDTIXMIEHVMULQ-QUCCMNQESA-N	412.518	5.203	30	20	HKED	
CC(C)(C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(-c2ccccc2)cc1	548840838	RGGWDEFHEKLGBN-UHFFFAOYSA-N	409.533	5.110	30	20	HKED	
Cc1c(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)sc2ccc(C#N)cc12	557198898	ZBYDCHKNDWPLJX-INIZCTEOSA-N	402.441	5.232	30	20	HKED	
CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1C(F)(F)F	558326829	XXUXFCGDJIBBEA-UHFFFAOYSA-N	424.316	5.450	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(F)(F)F	558747301	SKDGPVUXAJKYRT-INIZCTEOSA-N	409.839	5.705	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	558978029	INVOTRFVAVIQRS-SECBINFHSA-N	402.203	5.112	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1cccc(-n2nccc2C(F)(F)F)c1	590253275	JKVPMVCXAXNXKU-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
Cc1ccc2nc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)sc2c1	597684362	QHFGEUPTLIAXQF-UHFFFAOYSA-N	415.543	6.021	30	20	HKED	
Cc1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2	603818314	AJSRXPUFNJYDPY-HNNXBMFYSA-N	403.507	5.130	30	20	HKED	
C=CCN(C(=O)[C@@H](C)SCCCC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	604110732	YUIKNYXOCAVMFD-CQSZACIVSA-N	405.545	5.159	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	604317381	VNROZAOGAINOEX-LJQANCHMSA-N	402.498	5.238	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c1	609182999	HCYNYONKQBAHTE-UHFFFAOYSA-N	422.431	5.028	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccccc3N3CCCC3)c2)cc1	609208934	QVGHZHWGKTZKSK-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
CCCn1c(C)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cc(OC)ccc21	609376761	IVCQBQAKMUVTBU-MRXNPFEDSA-N	421.566	5.872	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1	609384765	RIULFVDQTPUSGR-LJQANCHMSA-N	415.562	5.580	30	20	HKED	
N#CC1CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1	609401386	LYCNBSQKNJQJDK-FQEVSTJZSA-N	420.315	5.361	30	20	HKED	
N#C[C@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	609460781	LPUROBKRNIZGOO-INIZCTEOSA-N	417.214	5.162	30	20	HKED	
COc1ccc(Cl)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	609581685	WVPPINCTIOEHDE-UHFFFAOYSA-N	408.910	5.765	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CCN(C)C)C(C)(C)C	609711550	AEBXYGHHUYLFEB-JOCHJYFZSA-N	408.546	5.147	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(-n4ccnc4)c3)cc2Cl)cc1	609784598	DUPROOADMRLYDF-UHFFFAOYSA-N	414.852	5.442	30	20	HKED	
CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	609986511	AQDGDNZIDVISCO-UHFFFAOYSA-N	416.424	5.069	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ncc(-c2ccccc2)o1	610095306	PQNHEMVJLLANHH-KRWDZBQOSA-N	424.460	5.888	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc(SCc2csc(C)n2)cc1	615971913	ZRYHTDJIXMQDLG-UHFFFAOYSA-N	412.555	5.711	30	20	HKED	
N#C[C@H](C(=O)c1cnc(Cc2ccccc2F)s1)c1nc2cc(F)ccc2s1	681357107	XOHPVEKEABSNPQ-CYBMUJFWSA-N	411.458	5.112	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F	685695960	MPIBALHDBDHBJJ-UHFFFAOYSA-N	418.394	5.250	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C=NNc3ccc(OC(F)F)cc3)c2Cl)cc1	726426800	IBNXSELASRMXEE-UHFFFAOYSA-N	404.848	5.249	30	20	HKED	
COC(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1	728459001	HSVSDGMQNJPXNW-AWEZNQCLSA-N	411.527	5.201	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1[N+](=O)[O-]	730151957	VORHSUPMCVGKKR-VURMDHGXSA-N	410.407	5.136	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C	731070984	ZOIUKSJMIFHDKY-SCOAYWHSSA-N	422.550	5.059	30	20	HKED	
Cc1ncc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	732901362	OWKTXVXXPVIAMH-PKXJPQMGSA-N	420.346	5.772	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	733034567	ZQPXPJORLALMAY-KUHUBIRLSA-N	401.482	5.586	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1Cl)c1ccncc1	740481509	YOFSYSABMPNIRE-GOTSBHOMSA-N	421.928	5.450	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1C#N	740782919	FRUBVVRQTDYFRA-UHFFFAOYSA-N	419.934	5.743	30	20	HKED	
Cc1cccc(C2(O)CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1C	743145742	DWIGNMSCCUBQSU-GOSISDBHSA-N	423.582	5.213	30	20	HKED	
COc1ccc(CCC(C)=NOCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1	744184585	GHVIHLUAMHSYAA-UHFFFAOYSA-N	410.558	5.906	30	20	HKED	
CCCOc1ccc(C=NO[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC	744444185	SFRQXYYRMDUGAQ-OAHLLOKOSA-N	413.449	5.093	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N(C)C)c(C)c1	749333103	SVWMELDNPMPJRI-UHFFFAOYSA-N	420.326	5.183	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OC	749454051	VIRNRPCCCYENAJ-SDSFWRRZSA-N	410.514	5.299	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-n3ccnc3C)cc2)ccc1OCC(F)(F)F	751517249	KNEQLLMSRVFUNI-OQFOIZHKSA-N	416.399	5.027	30	20	HKED	
C[C@](O)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	754837112	NGNLVODIZNOXGA-FYYLOGMGSA-N	424.422	5.207	30	20	HKED	
N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(Cl)c([N+](=O)[O-])c1	764300804	DNMUTOLDXGFHAZ-STQMWFEESA-N	410.644	5.169	30	20	HKED	
C#CCC(C)(C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1	767076197	QURHMGZPUMPKDT-UHFFFAOYSA-N	416.396	5.001	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc(C3(C#N)CC3)cc2)cc1	767077125	BEKXRSLNRQZFAL-MRXNPFEDSA-N	406.482	5.047	30	20	HKED	
C[C@H](NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccc(OCC#N)cc1	776164421	QXVOVGAYOZHKOH-NSHDSACASA-N	401.240	5.348	30	20	HKED	
C#CCSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1	776232958	VMIZYQDVCOKLHZ-LDADJPATSA-N	401.318	5.412	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cccc(C(=O)OC(C)(C)C)c2)S1	777869041	DXLCTOFUVWKCNE-AQTBWJFISA-N	408.523	5.150	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1	780145968	IXYRKARIOBVEFV-ZDUSSCGKSA-N	405.504	5.568	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1	780668938	GGPHPJDGMUVGBP-QZTJIDSGSA-N	405.523	5.834	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(SC(F)F)cc2)SC1=S	781550221	OMRYTJJTTITWRH-DHDCSXOGSA-N	404.488	5.279	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C	781562386	UAWMIRQEMCCSFU-UHFFFAOYSA-N	403.221	5.056	30	20	HKED	
CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2s1	786447035	HUJVTMCPSORCSN-HNNXBMFYSA-N	402.441	5.760	30	20	HKED	
CC(C)(C)c1cnc(/C=C2\COC/C(=C\c3ncc(C(C)(C)C)s3)C2=O)s1	790600961	PIBVNCYWZIKDEM-FNCQTZNRSA-N	402.585	5.261	30	20	HKED	
CC[C@@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	801678822	MIYCFDKFNNFADW-ZYHUDNBSSA-N	414.346	5.459	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)nc1	801796067	DKPWQDGJNMEGKJ-HXUWFJFHSA-N	416.447	5.093	30	20	HKED	
Cc1ccc2nc(C3CC3)cc(C(=O)Nc3c(C)c(C#N)nn3-c3ccccc3)c2c1	821634305	BCKSGXJDPCTALU-UHFFFAOYSA-N	407.477	5.039	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccnc(C(F)(F)F)c1	857480593	MHZQFSBAFBNYDR-LBPRGKRZSA-N	416.243	5.153	30	20	HKED	
C=CCn1c(SCC(=O)OC2CCCC2)nnc1-c1ccc(Cl)cc1Cl	875953732	XNNDCSQFBZUZID-UHFFFAOYSA-N	412.342	5.016	30	20	HKED	
O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1	915983194	SQLHJDVIISDGBB-UHFFFAOYSA-N	404.209	5.545	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1cc2cc(Br)ccc2o1	915984676	BEPLJLBRAZDGRI-AATRIKPKSA-N	411.280	5.610	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2ccc(Cl)cc12	916927049	DHXLTYKTGRFXBN-ZDUSSCGKSA-N	421.667	5.663	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc(F)ccc2s1	916928354	YZMVECYFTUAPOM-GFCCVEGCSA-N	407.253	5.308	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1	916931601	UDBNXARWDAAILC-OAHLLOKOSA-N	410.882	5.038	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(C)c(C)c3)n2)cc1	916975355	YLQDLLNZOHIWIR-FQEVSTJZSA-N	402.519	5.575	30	20	HKED	
C[C@@H](Oc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997145	RSHRHZFYJFMBLW-WBMJQRKESA-N	417.317	5.761	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1-c1ccccn1	917045389	ZAVPDNHEKRUQCX-INIZCTEOSA-N	406.898	5.242	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141900	NGEAHCKCRXDVOA-IFXJQAMLSA-N	419.531	5.047	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)n2)cc1	920142584	QUUXZYHIGOKOAH-ARFHVFGLSA-N	403.429	5.227	30	20	HKED	
Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccccc1OCC1CC1	920369109	SLRSQMAKRMPVRD-UHFFFAOYSA-N	419.337	5.212	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@@H](C)c4ccccc4)CCC3)cc2)C1	1785810452	LKLSBHAHSANOHP-LJQANCHMSA-N	402.538	5.281	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccco3)cc2)CCC1	1791910377	GEGWQQVAPMYOBO-AUSIDOKSSA-N	420.553	5.361	30	20	HKED	
C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1822581781	YDZOSNVCESDAPZ-JOCHJYFZSA-N	420.557	5.033	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830750701	JARVKQZQAMMWJW-NTKDMRAZSA-N	408.586	5.010	30	20	HKED	
C=CCn1c(C)cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c1C	6280685	DFJHZXZBZRESNG-UHFFFAOYSA-N	401.582	5.243	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)c1	7744145	BHMGBHWZLAGRMK-VAWYXSNFSA-N	407.901	5.056	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2SCC#N)n(C2CCCCC2)c1C	22216391	SXWVLYAJNYUSJL-UHFFFAOYSA-N	414.600	5.352	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(C)c2C)cc1	23603651	FWACBSLFDKJMSX-UHFFFAOYSA-O	420.602	5.539	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1	25437968	VRMOYGJDPUTNGD-UHFFFAOYSA-N	404.491	5.240	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)c3cccnc23)nnc1-c1ccc(OC)cc1	31651179	DVJXOQDHADLTJC-UHFFFAOYSA-N	422.941	5.634	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccc(Cl)cc2)no1	32786837	UBENFJLWYIPEBK-UHFFFAOYSA-N	423.929	5.051	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Cc1c(C)[nH]c2ccc(Br)cc12	32946217	XUNFSSUUPARXMV-UHFFFAOYSA-N	403.345	5.058	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1	48160209	XAFFNJKOWQIJCY-CYBMUJFWSA-N	406.313	5.134	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2ccc(C#N)cc2)cs1	52888391	MWDOTKDFLNHOEZ-UHFFFAOYSA-N	417.412	5.297	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Sc2ccccc2)cc1C	63394386	UBHRRFBEKCWKLM-UHFFFAOYSA-N	413.546	6.238	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCC(=O)Nc1ccccc1Oc1ccccc1	63469638	PLPIFROONPFZKZ-UHFFFAOYSA-N	401.466	5.188	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)c1	303236031	ZJRAJMTXLGGHLP-UHFFFAOYSA-N	409.489	5.580	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2OC(F)F)c1	303945298	GTSLFOWILBZOBE-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccccc1	432818884	MBDFDCDQWIZWFU-OAHLLOKOSA-N	402.376	5.403	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(c2ncc3n2CCCC3)CC1	432902781	LQWMZYYRIHMPMB-UHFFFAOYSA-N	424.548	5.031	30	20	HKED	
CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	434614708	JGRAXJCMSVJTKK-GAJHUEQPSA-N	413.562	5.345	30	20	HKED	
CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	437101425	XMKVYZJGWHEPAZ-UXHICEINSA-N	410.608	5.597	30	20	HKED	
O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc(F)cc1C(F)(F)F	437522326	FPWQZQRSKNUOOA-YEORSEQZSA-N	405.313	5.539	30	20	HKED	
N#CCC[C@@H](NC(=O)NCc1cccc(COCc2ccccc2)c1)c1ccccc1	438852902	SOWLJNUFZCGTLE-RUZDIDTESA-N	413.521	5.248	30	20	HKED	
COc1cc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C#N	442348373	JKRWQIWLXUSYRE-MLPAPPSSSA-N	418.396	5.211	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cs1	442507209	BHJFWFUFODHOND-QGZVFWFLSA-N	402.504	5.127	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CCCC1(C)C	445239482	RVANUGWOQXFRCF-LJQANCHMSA-N	415.921	5.784	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3F)s2)c(F)c1	446152414	UCNCHIKNJQGMSJ-UHFFFAOYSA-N	413.424	5.153	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1	447586181	MRKXJFMYJFHISS-JDFRZJQESA-N	404.377	5.614	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@@]12CCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	460798773	WYZDYSCAHQFPOO-ORAYPTAESA-N	409.338	5.063	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ncc(-c2ccccc2)cn1	461189034	HQFHKHIJCDWVHR-UHFFFAOYSA-N	422.513	5.096	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nc(O)c(C)c(-c2ccccc2)n1	467209002	YRXKKIGWQPHLAJ-UHFFFAOYSA-N	423.563	5.167	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)c1	467398992	MNVBJUUCHKOHNR-QGZVFWFLSA-N	402.498	5.069	30	20	HKED	
CN(Cc1ccccc1NCc1ccc(F)c(C#N)c1)C(=O)c1cc2ccccc2o1	467776460	LTDFBKVELYXRKG-UHFFFAOYSA-N	413.452	5.328	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccccn1	467842255	XQAVFQURJAFZFD-INIZCTEOSA-N	409.854	5.284	30	20	HKED	
CO[C@H]1CCOc2c(NC(=O)c3ccccc3Oc3ccccc3C#N)cccc21	468683977	IPEZXTXHEYJCLX-NRFANRHFSA-N	400.434	5.073	30	20	HKED	
C[C@@H](c1ccccc1Br)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	468897297	ILXSMNHQXYMXEK-INIZCTEOSA-N	424.342	5.541	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n[nH]1	470563072	FTXAXSZYWGAQEB-KRWDZBQOSA-N	419.897	5.047	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	475002064	QKYJJXLCIYHDOB-AWEZNQCLSA-N	419.407	5.163	30	20	HKED	
C=CCNC(=O)Nc1ccc(N[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc1	477576528	OJMJUEBBNCFDEV-OAHLLOKOSA-N	410.905	5.784	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(Cl)c1)c1nc(-c2ccncc2)cs1	477843554	SSIGOKNFKFFLFW-GFCCVEGCSA-N	418.703	5.111	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccc(F)c(F)c1	480373529	WMERWFDOYYQZKV-HXUWFJFHSA-N	401.457	5.307	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4cccc(F)c4)n3)n2)cc1	480920963	LNQYZMNIDAYJHI-LJQANCHMSA-N	416.481	5.242	30	20	HKED	
CN(Cc1ccccc1F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482331108	VVBIQXIDKCPNOB-HNNXBMFYSA-N	408.317	5.290	30	20	HKED	
C=CCN(C(=O)c1ccc(OC2CC2)cc1OC)c1nc(-c2ccccc2)cs1	485616902	BYSSZTQDMBMWKB-UHFFFAOYSA-N	406.507	5.193	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1cccc2ccccc12	486454266	YMBSWJRYNVQSBB-SFHVURJKSA-N	422.488	5.188	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)c2ccc(C#N)s2)n(-c2ccc(C)cc2)n1	487340425	ZFNLROPEPRNHSB-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
COc1ccc([C@H](NCc2cc(C#N)ccc2F)c2ccccc2Cl)c(OC)c1	487368167	QEHHPTPWWGBVMT-HSZRJFAPSA-N	410.876	5.247	30	20	HKED	
Cc1cc(C)c(-c2nnc(SCc3cc(C#N)ccc3Br)o2)c(C)c1	492127011	FPARIDUFWSZQMA-UHFFFAOYSA-N	414.328	5.588	30	20	HKED	
C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1	497823775	BSVUIKWGAJOBPP-SFHVURJKSA-N	424.504	5.111	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	500752482	GGMQJWRALAOUAI-IRXDYDNUSA-N	402.416	5.966	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1	500897040	KPZOWEZSMDXCKF-FQEVSTJZSA-N	401.470	5.066	30	20	HKED	
C[C@H]1C[C@]1(NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	503371599	SUNVSMZPLWALIY-WJONJSRFSA-N	413.974	5.198	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	505476510	MANADUQIBSAEQN-UNMCSNQZSA-N	406.407	5.530	30	20	HKED	
COc1ccc2cc(CN(C)Cc3ccc(OC)c(OCCCC#N)c3)ccc2c1	506022030	ONLMQIOFNVDMEA-UHFFFAOYSA-N	404.510	5.172	30	20	HKED	
N#CC1CCC(CNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)CC1	508362365	NYDGQGCOSNCYEE-CPAJTMIGSA-N	400.494	5.244	30	20	HKED	
CN1CCC2(CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	509733206	FHNYBFFPTYIVEL-UHFFFAOYSA-N	424.932	5.096	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2[nH]c(C)cc2c1	509931272	PENZZMJUWHWIDU-UHFFFAOYSA-N	416.294	5.598	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCOc1ccccc1	510860117	QBIWNKXHESEEDL-UHFFFAOYSA-N	415.493	5.592	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1	510861429	YUCPPQPYUQQJTB-QZTJIDSGSA-N	402.416	5.363	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1	511722199	VGLIUCHIKQRPRF-JOCHJYFZSA-N	422.488	5.096	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2	511856690	ZCHHJTQLEZLHPE-UHFFFAOYSA-N	413.955	5.836	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC)c2ccc(Cl)s2)cc1	512544210	KSVKCSMJOZBRHC-QGZVFWFLSA-N	417.962	5.489	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1ccc(C(F)(F)F)cn1	513202971	VWOBPLAYVISMHM-CQSZACIVSA-N	406.816	5.972	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CCC3)cc1	515565358	ONOSNCJAMBGZFT-KRWDZBQOSA-N	406.467	5.088	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)n2)cc1	517544145	IPODIVAYAXFOPG-QGZVFWFLSA-N	422.554	5.384	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)CCCCOc3cccc(C#N)c3)c(C)c2c1	517646239	UQQLGPJIACYGMH-KRWDZBQOSA-N	406.482	5.048	30	20	HKED	
C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccc(C)c1	518036833	CPORHVMUZUGBRT-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C[C@H]1CCc2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2C1	518515487	QJZWLNNHGGDOFX-GUYCJALGSA-N	403.532	5.358	30	20	HKED	
C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	518812205	GPCFYYCDIAWHOV-GOSISDBHSA-N	415.493	5.262	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1S[C@H](C)CC#N)N1CCC(Cc2ccccc2)CC1	518940926	BDNBFVWQGBVPCC-UXHICEINSA-N	421.610	5.363	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	521293501	VJVMOXVDIGALRX-HNNXBMFYSA-N	420.296	5.559	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1	521730968	TVYJOWGMGOWQMV-MRXNPFEDSA-N	407.564	5.552	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCO1	525103820	RZXFKSQAULPWLW-XMMPIXPASA-N	416.452	5.012	30	20	HKED	
Cc1ccc(Nc2nnc(SCc3nnc(-c4ccc(C#N)cc4)o3)s2)cc1C	525625188	CHVIVBQVERNKMN-UHFFFAOYSA-N	420.523	5.113	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C(F)F	534121830	BQHGRPVWMLQYPW-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	534438237	HIAGFCYXEVODPH-INIZCTEOSA-N	423.538	5.452	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1-c1ccccc1C	535264871	MHRXBSQWLYYDQB-UHFFFAOYSA-N	402.523	5.695	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CCCCC2)[nH]n1	535372953	XPMIVAXERHQKJW-UHFFFAOYSA-N	401.470	5.077	30	20	HKED	
Cn1cc(-c2ccccc2CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cn1	535487874	DRBLPVPROIYOHN-UHFFFAOYSA-N	423.476	5.073	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2C)c1	538543412	RJRLENINTQUEEH-UHFFFAOYSA-N	412.489	5.390	30	20	HKED	
Cc1nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cs1	541193329	GYZHQAWTRLQZDG-GFCCVEGCSA-N	422.316	5.882	30	20	HKED	
COc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1OC1CCCC1	543127608	IWXQQYMPCXWWAS-GOSISDBHSA-N	418.415	5.030	30	20	HKED	
C[C@@H](N[C@H](C)c1nc(-c2ccccc2)cs1)C(=O)Nc1ccc(C#N)c(Cl)c1	544486595	LQOSPPQXNJDNRO-ZIAGYGMSSA-N	410.930	5.013	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1OC	552923613	PDOSXCYDFJKNBL-UHFFFAOYSA-N	403.910	5.208	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1cc(C#N)c2ccccc2n1	554775743	MQMJWGAATPDLLO-UHFFFAOYSA-N	422.366	5.341	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)cc2)cc1	557217636	XZCKBIDFBRQNQL-DHLKQENFSA-N	412.489	5.053	30	20	HKED	
Cc1cc(C(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)nn1-c1cccc(C#N)c1	572162532	ZSMVVUKZRBXZIZ-UHFFFAOYSA-N	418.806	5.001	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	575604551	XRNDJRQBKRGQMM-XFQXTVEOSA-N	413.518	5.262	30	20	HKED	
Cc1ccc(C[C@H]2CCCN(C(=O)c3occc3COc3cccc(C#N)c3)C2)cc1	583218610	FAVVUOHJNQFGDL-JOCHJYFZSA-N	414.505	5.134	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc2cc(F)ccc2s1	592974502	SJYZVSAEXLYLQN-KRWDZBQOSA-N	408.479	5.566	30	20	HKED	
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	604142936	ACLPWOZGESQWKC-BUVFEPMLSA-N	423.944	5.019	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2ccsc2c1)c1nc2cc(C(F)(F)F)ccc2s1	608552860	HESAZRHZNNKXNJ-NSHDSACASA-N	403.410	5.415	30	20	HKED	
CCSc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1	609032042	MUAAJDLTKKXRGR-UHFFFAOYSA-N	403.507	5.091	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	609221827	BCUVMSWKHBYSBR-SFHVURJKSA-N	413.521	5.914	30	20	HKED	
C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609377868	ICVLFEYUBNOPDG-GFCCVEGCSA-N	412.408	5.256	30	20	HKED	
Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccccc2SCCC#N)c1Cl	609379937	ZEESBRUXZIOTGI-UHFFFAOYSA-N	415.367	5.417	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1	609428710	WGYRZIBWIKIFMK-GOSISDBHSA-N	402.519	5.912	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1	609509046	LFMSCLKMLCPRGO-UHFFFAOYSA-N	420.553	5.231	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCSC[C@H]2c2ccccc2)cc1	609682938	GWSVBNVCPCRIEF-QFIPXVFZSA-N	415.518	5.673	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(NC(=O)CC(C)(C)C)cc3)c2C#N)C1	610167960	GVUIGSMQPDFDQK-HNNXBMFYSA-N	423.582	5.300	30	20	HKED	
COc1cccc([C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c1	610355040	FUKXGUPTDNYPLI-QMHKHESXSA-N	419.912	5.370	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H](c1ccccc1)C2	610732569	BEWWUVYFJRBKFD-AVRWGWEMSA-N	411.505	5.137	30	20	HKED	
COc1ccc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1OCCCC#N	611259269	CSXYRPZTTMJRSI-OAQYLSRUSA-N	403.526	5.239	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1	611376275	LLQXYZFTWUODAK-LSDHHAIUSA-N	421.488	5.246	30	20	HKED	
N#Cc1ccc(NCc2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cc1	612906026	SAPXRCWNFYESFM-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
C[C@@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1cccc(C#N)c1	618102811	FHCOPNRQKYVEBX-OAHLLOKOSA-N	400.869	5.042	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)cc1Cl	619755627	NQFJGVWAQIYBNM-DEOSSOPVSA-N	401.872	5.778	30	20	HKED	
C=CCN(C(=O)c1ccc(OCCCC)c(OC)c1)c1nc2c(s1)CCCC2	623331822	TVGFKGRLTUAOIY-UHFFFAOYSA-N	400.544	5.042	30	20	HKED	
FC(F)(F)c1ccc(C#CCN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	674249328	OYOQFFKXVWYNIY-KBPBESRZSA-N	403.288	5.120	30	20	HKED	
O=C(c1ccccc1CCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	677520826	HLTVZUVXUKZPJG-RYUDHWBXSA-N	421.303	5.384	30	20	HKED	
COC[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1	678766124	FAPUTZIYWDFDGM-OXJKWZBOSA-N	405.329	5.151	30	20	HKED	
CC(C)COc1ncc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1Cl	679980695	UVWXZOHUWYZALK-ZDUSSCGKSA-N	403.866	5.009	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccccc2Cl)n1	727628267	SZRHGKNLSMEINJ-LBPRGKRZSA-N	416.289	5.078	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C\c1cccc(OC2CCCC2)c1	727952642	NZJIZZJHFKPUKS-MBWOQUJGSA-N	412.489	5.403	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	727978634	KOJGPOVOVBFKOM-MRXNPFEDSA-N	421.953	5.838	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(Cl)nc1	728120157	VLXAXOMITGUNME-UHFFFAOYSA-N	420.900	5.158	30	20	HKED	
C[C@@H](CC#N)N(C)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2F)c1=S	728902600	TXUQJPQZYNAQHO-AWEZNQCLSA-N	415.925	5.054	30	20	HKED	
Cc1occc1-c1nn(CN(CCC#N)CC(C)(C)C)c(=S)n1Cc1ccccc1	729468030	LTEXCMODRUXGHY-UHFFFAOYSA-N	423.586	5.250	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1csc(C(=O)O)c1	730149060	AUZMMAIADGKQKB-WAYWQWQTSA-N	409.410	5.485	30	20	HKED	
CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(Cl)c(Cl)c1	731975248	APRQUVBGWHQDGY-HNNXBMFYSA-N	405.325	5.438	30	20	HKED	
CCCCN(Cc1ccccc1Cl)C(=O)NCc1cccc(O[C@H](C#N)CC)c1	733804852	JZGADOAEHMSMJE-FQEVSTJZSA-N	413.949	5.533	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1	733842615	ZGOCDWBXYQGPAG-AWEZNQCLSA-N	411.811	5.361	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1	735033028	DJBXRWFENFXIIH-HXUWFJFHSA-N	407.857	5.278	30	20	HKED	
C#CC[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccn1	735210610	BKJLUXPLQWSDBI-JOCHJYFZSA-N	402.837	5.320	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2nccs2)c1	737317319	WCJHYEWXDGCZCF-IBGZPJMESA-N	419.506	5.021	30	20	HKED	
CCOc1ccc(-n2c(-c3ccccc3)nn(CN(CCC#N)C(C)C)c2=S)cc1	739841602	LRBBFVZTTJKBGO-UHFFFAOYSA-N	421.570	5.051	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2)o1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741840945	CEHVOUIUIAZELC-XYOKQWHBSA-N	420.408	5.179	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Cl)c1	744034473	IUWCFDABWZWNRL-PXAZEXFGSA-N	401.318	6.097	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cc(C#N)cs3)s2)cc1	748440732	QZIFFIUDYSCVNQ-NVNXTCNLSA-N	400.916	5.023	30	20	HKED	
CC[C@H](C(=O)N1CCC(/N=C\c2c(O)ccc3ccccc23)CC1)c1ccccc1	749105720	XMIFUOLUMFSDNC-IVKFTBJLSA-N	400.522	5.149	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2cccc(Cl)c2)cc1C#N	752294948	OKOORYGCQKBTSA-CYBMUJFWSA-N	400.866	5.005	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)nc1Cl	752996638	AEQGFEJSDSVATA-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)c2ccccc2OCC#N)nc1-c1ccc(Cl)cc1	755623914	ZDKFBFBSTYBFNM-CYBMUJFWSA-N	411.914	5.165	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)c2ccc(Br)nc2)cc1	756952696	AOBOKDVMXOZDMK-UHFFFAOYSA-N	422.282	5.093	30	20	HKED	
C#CC[C@@H](NC(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C)c1ccccc1	757029758	CKUHLPFLVCJPHL-DYESRHJHSA-N	419.550	5.252	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NOCc2ccc(F)cc2)cs1	758143560	ONJOQDZGWASPEQ-UHFFFAOYSA-N	403.866	5.171	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)ON=Cc3ccccc3Br)o2)cc1C	758409821	CRPFEQPQENMKKM-AWEZNQCLSA-N	400.276	5.228	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	760183304	KVOZTXOOVDJZQS-YWZLYKJASA-N	418.880	5.050	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C1CC1	762984935	QWJXYPPMZLJOCU-OAHLLOKOSA-N	419.554	5.653	30	20	HKED	
N#Cc1ccc([C@H](O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1	763225027	JAUCJXJELBARCA-HXUWFJFHSA-N	424.957	5.411	30	20	HKED	
N#Cc1cc(NC(=O)Cc2coc3ccc4ccccc4c23)c(Cl)c([N+](=O)[O-])c1	764310446	JPVLQBXFWNQUEP-UHFFFAOYSA-N	405.797	5.200	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1	765353410	KXFARIJLRXXEHR-IAGOWNOFSA-N	400.906	5.186	30	20	HKED	
N#Cc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)ccc1F	770566800	QLSIJYJJLUROJD-CXUHLZMHSA-N	407.857	5.812	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)ccc1OC	772980949	WNMMYTFCFFVMRE-VQIMIIECSA-N	420.431	5.052	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3ccc(Cl)cc32)ccc1OC	772986625	PNPBOVFCGLWSHG-IEBWSBKVSA-N	400.906	5.033	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2ccc(F)cc2)s1	777117376	YKQJMFMWAIHGDM-INIZCTEOSA-N	421.541	5.560	30	20	HKED	
Cc1cc2ccc(Cl)cc2nc1NN=C1CCC2(CC1)C(=O)Nc1ccccc12	778553024	MQHXJTDDURLUNR-UHFFFAOYSA-N	404.901	5.429	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc4ccccc4c3)cc2)cc1	782804474	PFTLMUJGJXNVGU-UHFFFAOYSA-N	407.429	5.081	30	20	HKED	
COC(=O)[C@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	782898147	GCMCKRJCUTYAJE-IFMALSPDSA-N	424.422	5.687	30	20	HKED	
C[C@]12CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C[C@@H]1C2(Cl)Cl	791185867	UENUKBMOWXQCCC-ICSRJNTNSA-N	419.283	5.146	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)c1nccc2ccccc12	792099021	GJRVAFPQMWDTHW-GJCOWUBNSA-N	407.473	5.461	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1NCc1ccccc1Cl)c1cnc2ccccc2n1	792110601	SJXBMPYDAJDHQD-SFHVURJKSA-N	412.880	5.385	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C3/CCc4c(cnn4-c4ncccn4)C3=O)ccc21	792907484	XTJUQTKYUKKUIS-JXAWBTAJSA-N	419.488	5.003	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(C)c(Br)s2)ccc1OC	796305126	NIZACKIRCLHHJE-HIFRSBDPSA-N	423.376	5.359	30	20	HKED	
COc1ccc(-c2nc(/C=C/C(=O)c3cc(Cl)c(OC)cc3OC)cs2)cc1	797106733	FNYGCTJCMPCXFS-RMKNXTFCSA-N	415.898	5.385	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1CN1CCC(C#N)(c2ccccn2)CC1	800528875	XDDHVRHFXOAZIH-UHFFFAOYSA-N	419.960	5.101	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1	803833615	YMWBNTRSQVVELB-UHFFFAOYSA-N	406.747	5.242	30	20	HKED	
C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc(F)cc2F)cc1OC	810227792	JNEQCFYLDOODEL-DAXSKMNVSA-N	409.226	5.197	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cscc3Br)n2)cc1	815910847	JNGIKRJTBLZDLY-AWEZNQCLSA-N	417.353	5.362	30	20	HKED	
N#C[C@@H](C(=O)CCn1ccc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	915104582	SNBSLGABCVNATI-HNNXBMFYSA-N	413.424	5.536	30	20	HKED	
CC(C)N1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1	916135805	UXBCPRXYUQIAPK-QTCLYGBFSA-N	419.528	5.543	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(C(C)C)cc1	916902636	HUIPVGLMMRTAGT-SFHVURJKSA-N	412.917	5.061	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc2ccccc2c1Cl	916915068	CDTCINQGDLOHJA-MRXNPFEDSA-N	404.878	5.669	30	20	HKED	
N#C[C@@H](C(=O)c1sc2ccccc2c1Cl)c1nc2cc(Cl)ccc2s1	917043555	JRAGFZMRHKQVIU-NSHDSACASA-N	403.315	6.308	30	20	HKED	
COc1cccc([C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	920112929	NIWDWQSTKKOBDH-ABAIWWIYSA-N	404.413	5.304	30	20	HKED	
Cc1cc(C)c(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)c(O)n1	1142402706	UZZXQDXTAMDTEI-UHFFFAOYSA-N	409.898	5.333	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3coc(Cl)n3)cc2)CCC1	1787106441	IATAMUFAQIWWRL-UHFFFAOYSA-N	415.921	5.068	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cccnc34)cc2)CCC1	1788913063	JHRVKGCZVZELRY-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CC)c3ccccc3)C2)CC1	1809013859	YBMBBYDCSWKYOV-HSZRJFAPSA-N	424.629	5.404	30	20	HKED	
Cc1c(C#N)c(NC(=O)COC(=O)c2ccc3ccccc3c2)n(C2CCCC2)c1C	12258841	MTTAEMVWPQDJCM-UHFFFAOYSA-N	415.493	5.040	30	20	HKED	
N#CCC[C@H](C#N)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1	15234569	DEFNMQSRBYZDGS-OAHLLOKOSA-N	407.524	5.610	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1	17342041	VCBMTAZNYVMESN-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1F	22732175	GIGCLLDCHNORDY-UHFFFAOYSA-O	423.533	5.302	30	20	HKED	
CCn1ncc2c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc(-c3ccccc3)nc21	25840385	RSNARIDVNSAOOG-UHFFFAOYSA-N	409.493	5.172	30	20	HKED	
C=CCn1c(SCC(=O)N[C@H](C)c2ccc(C)c(C)c2)nnc1-c1cccc(C)c1	29830546	ISZXHNYJNLXAQI-LJQANCHMSA-N	420.582	5.026	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Cl)cc1	41520216	HRNYQNFZCQCYRA-QGZVFWFLSA-N	412.898	5.183	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)o1	41547225	NKJZTBCLVCWJCD-QGZVFWFLSA-N	408.417	5.072	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3sccc3C2)cc1Cl	47565598	CKSSBNXRYYTVHZ-IBGZPJMESA-N	407.926	5.647	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OC1CCCC1	49330555	PRSIJZIYEOWXAH-IRXDYDNUSA-N	407.514	5.010	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1	57594752	MUUUDYYKXMQBBG-UHFFFAOYSA-N	410.477	5.202	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1OC	213993287	JGQOHSDLJYFXED-JYRVWZFOSA-N	417.505	5.094	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NCc2ccc(O[C@H](C)C#N)cc2)cc1	237346790	QSYOACOJAWQNHF-CJAUYULYSA-N	404.485	5.199	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(OCc3ccccc3C#N)c1)CCC2	303508652	OCSPWKWQIZUWPW-JOCHJYFZSA-N	417.534	5.052	30	20	HKED	
Cc1cc(-c2noc([C@@H](C)N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2)ccc1F	303705647	SKPAJMRJQJDMIH-SNVBAGLBSA-N	411.321	5.062	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	429068619	MUYUWGASAACRBV-UHFFFAOYSA-N	404.445	5.324	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1	429167706	MAXPQQXUNMDTJV-UHFFFAOYSA-N	420.513	5.532	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2cc[nH]n2)s1	431474143	SVGKKJYUNWXXPG-UHFFFAOYSA-N	400.463	5.363	30	20	HKED	
Cc1cnc(C2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)s1	432482209	YNLRWZWYOZTEPG-UHFFFAOYSA-N	421.497	5.274	30	20	HKED	
COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	438060682	XGTZMEXWZLAOPJ-AZUAARDMSA-N	423.582	5.576	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	439524002	YDVKESAURVGKFS-BMZZKGLRSA-N	419.525	5.144	30	20	HKED	
Cc1ccc(-c2cc(C(=O)NCC3CCC(C#N)CC3)c3cnn(C(C)C)c3n2)cc1	441132225	CUCXFSVQUUHGHD-UHFFFAOYSA-N	415.541	5.047	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2c(F)cc(C#N)cc2F)c1C	446178195	BJMLREKQPWTKMX-UHFFFAOYSA-N	421.234	5.198	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@H](C)c1sc(-c2ccccc2)nc1C	460371489	BRBSCEVIERADSY-MJGOQNOKSA-N	423.586	5.335	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	461119093	SRUWMVPHVWWFSW-UHFFFAOYSA-N	421.328	5.368	30	20	HKED	
COc1cccc([C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c1	462140825	NKDVMUDHVYOVGQ-QMHKHESXSA-N	404.897	5.230	30	20	HKED	
CC(C)c1noc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	462190546	QQCYEKLAGJUXNM-UHFFFAOYSA-N	402.376	5.488	30	20	HKED	
CC(C)c1ccccc1NC(=O)CNc1ccc(Oc2ccccc2C#N)c(F)c1	463224402	UNPDUKYPLIKSRD-UHFFFAOYSA-N	403.457	5.664	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cc(Cl)cc(C(F)(F)F)c3)ccc21	469247147	WHMOBRGIPRPHPJ-UHFFFAOYSA-N	421.850	5.554	30	20	HKED	
CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470530701	ISFDEXKQPHZHPU-NRFANRHFSA-N	410.562	5.092	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccccc1	473780765	KHWWQTWQGZNINQ-KRWDZBQOSA-N	413.403	5.058	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	475615417	KDSWAKWLNXTGHG-ROUUACIJSA-N	416.550	6.026	30	20	HKED	
CCc1cnc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	475790807	NBBJCADHLCMLIC-UHFFFAOYSA-N	410.474	5.172	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-]	476125710	ADLRUTCPGABMDE-UHFFFAOYSA-N	400.500	5.430	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1)c1ccccc1	476749282	RRWHKCFVNZLIEC-NQIIRXRSSA-N	400.444	5.847	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccncc3)cc2F)c1	481712788	NXGMJYYPAQKZEB-QFIPXVFZSA-N	416.456	5.040	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	482383649	ZEWHRHXGUSLGJT-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	483997148	XTGJJKXISHPNST-MRXNPFEDSA-N	420.683	5.605	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)Cc2ccc3ccccc3n2)nnc1-c1ccncc1	489448628	MRVRPHUGAMJQRN-KRWDZBQOSA-N	401.539	5.188	30	20	HKED	
COc1cccc(CSCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1	494083593	PLPAOGRHVBWFNW-CQSZACIVSA-N	400.569	5.015	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	495157214	JMBDQENGGMIMPQ-UHFFFAOYSA-N	405.298	5.265	30	20	HKED	
COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)c1sccc1C#N	497990061	DJJAYQRHALGGIG-UHFFFAOYSA-N	402.884	5.041	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C1CC1	498291297	PCLYPWBOBTZLIN-UHFFFAOYSA-N	418.472	5.183	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1	502310854	QTAYKXHLOBIGJH-LBPRGKRZSA-N	400.878	5.462	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1	502578164	WOKBTTVEMLLKOO-UHFFFAOYSA-N	410.502	5.493	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	503889987	FPFJJKNFWOBWIJ-WKILWMFISA-N	423.340	5.113	30	20	HKED	
O=C(NC[C@@H]1CCCC(F)(F)C1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	504762126	KIJKTPKNYGCPJT-MFKMUULPSA-N	416.337	5.016	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N(CCC#N)CCC(C)C)c2cnn(C(C)C)c2n1	505213035	GSXONUCKNDOIHW-UHFFFAOYSA-N	417.557	5.390	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1	505355888	OCSUNNCKMGZDGX-HJPURHCSSA-N	406.432	5.028	30	20	HKED	
CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H](C)c1ccc(C#N)cc1	509571786	MRWAQUSCYFZVCX-IBGZPJMESA-N	409.489	5.232	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)CCC3)cc1	512628084	CUJQALMBDCALHC-XOBRGWDASA-N	407.514	5.558	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	513454816	LOMZBOYZCUANRU-UHFFFAOYSA-N	408.505	5.492	30	20	HKED	
C[C@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)n1cccc1	517080926	QNJJPXLHQPOJAD-CYBMUJFWSA-N	418.444	5.016	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1cc2c(cc1Br)OCO2	517455401	GENFVHKENMISIV-GFCCVEGCSA-N	405.317	5.042	30	20	HKED	
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	517902332	PPGBAISHTSOMNS-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
N#CCCSc1ccccc1NCc1nc(-c2cc(Br)cs2)no1	518140462	SMRWHQHFRMMCQN-UHFFFAOYSA-N	421.345	5.178	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	518755814	OABRODDRCKZXQH-QGZVFWFLSA-N	420.538	5.028	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1	521606201	VUXQUVLQWPKPRK-QGZVFWFLSA-N	406.448	5.129	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc(C)nc21	523379477	CKPUFZMVLRVLEG-TZMCWYRMSA-N	407.543	5.021	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1F	523586846	ALAYKAZJIDFOSP-UHFFFAOYSA-N	404.283	5.150	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1C#N	523744616	DIQDHUKVZHMSNK-UHFFFAOYSA-N	424.526	5.376	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cnn(C(C)(C)C)c1	524441252	ZWWPXFKIVYBPMA-UHFFFAOYSA-N	403.486	5.041	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)s1	525048679	BULMMAUDLRVVRV-KRWDZBQOSA-N	419.550	5.298	30	20	HKED	
C=C(C)COc1cc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)ccc1OC	532748908	MZLSBYVNKWRBFV-SSEXGKCCSA-N	421.562	5.570	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H]1c1ccccn1)c1ccc(C(F)(F)F)cc1	532761327	UIGRHFMPRUZFEX-QUCCMNQESA-N	403.448	5.654	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1	532911179	LRCBSULFRIFDAQ-AWEZNQCLSA-N	422.381	5.458	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1	534230519	XHWPASDQFQKYNF-UHFFFAOYSA-N	416.569	5.008	30	20	HKED	
N#C[C@@H](C(=O)c1cnc([C@@H]2CCCO2)s1)c1nc(-c2ccc(Cl)cc2)cs1	536349019	HPXRDSDVXKOODM-ZFWWWQNUSA-N	415.927	5.262	30	20	HKED	
CN(Cc1cccc(OCc2ccccc2C#N)c1)Cc1nc(C(F)(F)F)cs1	538721326	BYYCLUVDWXYAEP-UHFFFAOYSA-N	417.456	5.245	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1	541044362	ZXCSHCUYCLXWDX-CJAUYULYSA-N	403.526	5.490	30	20	HKED	
C=CCN(C(=O)N(c1ccccc1)c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1	541117838	QFRXHUFVSYDEIP-HXUWFJFHSA-N	424.508	5.170	30	20	HKED	
COc1ccc(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	541999192	RIKYRGZKBZSMMX-GOSISDBHSA-N	414.505	5.052	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)ccc1Cl	543456427	HJWCHGWKMNXWDQ-UHFFFAOYSA-N	419.584	5.125	30	20	HKED	
COc1cc(C(=O)N2CCc3ccc(C#N)cc32)ccc1OCc1ccc(Cl)cc1	550519718	BMLDCQAYLNBNPV-UHFFFAOYSA-N	418.880	5.002	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](c2ccccc2)c2ccc3ccccc3c2)c1	553917766	XJBMDXUSUNZDMW-MUUNZHRXSA-N	406.529	6.402	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cnc1C(F)(F)F	558979451	VKZSBCKPSUQHCV-UHFFFAOYSA-N	414.214	5.084	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC(C)(C)CCC#N	561730419	AOLCCNSEEQQJGN-AWEZNQCLSA-N	405.951	5.063	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc2n[nH]cc2c1	562122862	JAASXIPOBKEKHD-MRXNPFEDSA-N	411.465	5.418	30	20	HKED	
CCc1nc2ccccc2n1C1CCN(Cc2cccc(OCCCC#N)c2)CC1	571691986	WBDJRIURGWWQTP-UHFFFAOYSA-N	402.542	5.118	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)s1	573650092	GZUUHEUKHGCTLJ-NSHDSACASA-N	405.932	5.086	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](CC(F)(F)F)C1	581561274	OBOVTAFJLDOOSB-INIZCTEOSA-N	415.463	5.157	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccoc3)[nH]n2)cc1Cl	609164405	MXMMNQCASWJQGA-SFHVURJKSA-N	402.841	5.231	30	20	HKED	
COc1cccc(-c2c[nH]cc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609176345	HUDWGJFGJHURFB-UHFFFAOYSA-N	409.445	5.607	30	20	HKED	
CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)N3CCC(C#N)CC3)cc2)CC1	609212832	ATUPWPAYTUZTLL-UHFFFAOYSA-N	424.589	5.067	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl	609811205	UAQWSTWRQILOCH-STQMWFEESA-N	408.354	6.128	30	20	HKED	
CCn1nc(C)cc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	610296164	KPFMVMDODLATTH-UHFFFAOYSA-N	414.387	5.147	30	20	HKED	
C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1	610362563	PUFCJYGSBUTWIN-CYBMUJFWSA-N	414.292	5.330	30	20	HKED	
C[C@H](NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cccc(C#N)c1	610362960	IBFNFLRZWNLSOH-OYHNWAKOSA-N	408.473	5.547	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cn2)cc1	610753890	RRVDIDUYVRBYBR-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	611261033	UEZFLOPTXRUHEJ-NRFANRHFSA-N	418.928	5.490	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)n2)cc1	613318800	GGSBOFKJGZWQPM-QGZVFWFLSA-N	406.555	5.684	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C(C)C	616761863	HRBOSVBEPSLNHD-UHFFFAOYSA-N	418.501	5.510	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccc(C#N)c(Cl)c1	619775255	YBUIEPZDYIDDDG-UHFFFAOYSA-N	411.914	5.039	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	622585454	ZQBGZKAOEJQGJV-QGZVFWFLSA-N	421.312	5.141	30	20	HKED	
Cc1ccc2oc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2n1	677559977	VIAVWSPJIZPHNJ-NSHDSACASA-N	401.369	5.255	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)c1Br	682991311	ZSMIYWDPCOHYPV-HNNXBMFYSA-N	412.312	5.075	30	20	HKED	
O=C(c1c(Cl)cc(F)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683306176	AFIBRBPMNJITML-KNVOCYPGSA-N	412.132	5.335	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)c1	726573351	XXAZHHAXFNIEIZ-UHFFFAOYSA-O	411.550	5.076	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1oc2c(ccc3ccccc32)c1C	726755483	OURUPPWIKPZGSY-UHFFFAOYSA-N	405.457	5.643	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)OCc3csc(C4CCCC4)n3)o2)cc1	728109748	SBWKUUOCZMUGDY-UHFFFAOYSA-N	408.479	5.201	30	20	HKED	
N#CCOc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1	729241768	AMWKAHMVXCTVLF-UHFFFAOYSA-N	418.547	5.250	30	20	HKED	
Cc1ccc(C2CC(=Nn3c(S)nnc3-c3ccccc3Br)C2)cc1	729816603	KZGLZIJAFKAKBE-UHFFFAOYSA-N	413.344	5.086	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3cccc4ccccc34)n2)cc1	730922696	HITDMBSCXKHFNX-XPWALMASSA-N	419.509	5.815	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	731288110	PQNCPNQEJJOYRJ-HJOGWXRNSA-N	404.469	5.444	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc1	733245619	PEYCWWKYYSJYNQ-UHFFFAOYSA-N	409.445	5.111	30	20	HKED	
C#CCCOc1ccc(CN[C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cc1	733328285	QHGFRZDTIJQPFF-QFIPXVFZSA-N	418.562	5.388	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1	733773207	VIVSMBWWIORRNG-NXHRZFHOSA-N	403.309	5.094	30	20	HKED	
O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(-c2c(F)cccc2F)o1	734363181	WOEMOYVMQQXWFV-UHFFFAOYSA-N	402.356	5.008	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1	739304888	QGKDVDSNZAYFOA-CABCVRRESA-N	410.470	5.201	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)cnn1-c1cccc(Cl)c1	743056192	QSVCWZIICXDFPV-YFHOEESVSA-N	416.868	5.313	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Br)ccc2C)cc1	744028460	KYVYLZJHEMGYED-LJQANCHMSA-N	413.315	5.061	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	745949812	BPNLLWNTGSWCBM-GDBMZVCRSA-N	412.461	5.370	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(Cc2cccc(C)c2)CC(C)C)c1=S	746053149	FDCPBJQCRXWRTK-UHFFFAOYSA-N	407.587	5.086	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCCOCc2ccccc2)cc1	747976107	QDLZKTNWULONGK-RUZDIDTESA-N	413.521	5.461	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(Sc3ccccc3)cc2)ccc1OC	754061949	ZTCPOOYKVVPYAR-OAQYLSRUSA-N	418.562	5.817	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1Cl	757185534	YBCONLFMPXIETM-FQEVSTJZSA-N	411.914	5.041	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)nc1C(F)(F)F)c1ccc(Cl)c(Cl)c1	766854480	JMKGXKBYYOUBPI-LLVKDONJSA-N	408.594	5.055	30	20	HKED	
CC(=O)N1C/C(=C\c2ccc(SCc3ccccc3)cc2)C(=O)c2ccccc2C1	778520470	YNELFRYPAHUNHG-HZHRSRAPSA-N	413.542	5.607	30	20	HKED	
C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782828432	DUTSHWCTYBGXOB-WAIKUNEKSA-N	404.897	5.180	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4cnn(C(C)C)c4C)c23)cc1	787152659	JZNMZLXFSVSBBD-UHFFFAOYSA-N	420.542	5.289	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)n2)cc1	789406546	VTTJZSWARAZMDN-CTWPCTMYSA-N	423.582	5.016	30	20	HKED	
N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nccc2ccccc12	792105586	MRRFVFWMYDYQMS-GOSISDBHSA-N	401.853	5.352	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1cnc2ccccc2n1	792108511	CSWSKRJKMCTAPQ-CZUORRHYSA-N	418.909	5.188	30	20	HKED	
CN(Cc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1)C(=O)OC(C)(C)C	793038621	TVOXZFXKIFODEE-HXUWFJFHSA-N	407.514	5.080	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C[C@@H](CC#N)c1ccccc1)CC2	793855216	LQXJPLVABUFUQQ-LJQANCHMSA-N	405.498	5.010	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCO2	796761818	HNZJRGNQBAMOQJ-MLGOLLRUSA-N	410.882	5.172	30	20	HKED	
COc1ccccc1CON=Cc1cnc(-c2ccc(Br)cc2)s1	799118605	NALJAMJENZLIAK-UHFFFAOYSA-N	403.301	5.132	30	20	HKED	
Cc1cc(/C=C\C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)n1C1CCCCC1	800111371	LKLVUBFCTKZWJN-QXMHVHEDSA-N	416.569	5.102	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	800386339	JKSQBMYAQKLUMZ-GOSISDBHSA-N	406.463	5.144	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccccc2)c(Br)c1)c1ccnc(O)c1	806556747	ZCMCVKAPUAIUCN-VURMDHGXSA-N	410.267	5.025	30	20	HKED	
CC(C)(C)Sc1ccc(-c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)nc1	809446904	CEBJHJJBCFBDTF-HNNXBMFYSA-N	423.517	5.027	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)n1	810606152	SLKHTUXGEKSRRY-GFCCVEGCSA-N	405.545	5.189	30	20	HKED	
N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1cc(C(F)(F)F)ccn1	813218183	MODRPZMYHCEUQL-IAOKNECISA-N	418.724	5.576	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc3cc(Br)ccc3c2)cnc1C(F)(F)F	815820220	FNHQKXHUIQSVFL-UHFFFAOYSA-N	420.188	5.140	30	20	HKED	
CO[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	815911544	FHVDTUALIXTVOE-CKEIUWERSA-N	409.338	5.498	30	20	HKED	
C=CCOc1ccccc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	913366372	GLKAYLKNCNJPNN-UHFFFAOYSA-N	414.672	5.007	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1	916883874	VTVKHBOFQBIRPM-CQSZACIVSA-N	421.865	5.171	30	20	HKED	
N#C[C@H](C(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1)c1nc2ccccc2s1	917094235	NDRSELDPDCJTGF-FGZHOGPDSA-N	423.541	5.120	30	20	HKED	
CC(=NOCc1c(Cl)ccc2cccnc12)c1nc2ccccc2n1C(F)F	917396879	NOXZDMRASHSJSR-UHFFFAOYSA-N	400.816	5.574	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(F)cc4)CCOCC3)n2)cc1	920110495	MMMXFYGGQZAKFA-FQEVSTJZSA-N	420.509	5.182	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccccc1F)c1nc(-c2c(F)cccc2F)cs1	920804986	CNIRWNKABIOEOA-CYBMUJFWSA-N	416.424	5.263	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccnn3C(C)C)CCC2)cc1	1785843410	YKOYMRBDULJDFJ-UHFFFAOYSA-N	422.573	5.204	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1	1788990119	CUMUBMFDBCJYSJ-UHFFFAOYSA-N	419.912	5.212	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C(=C)C(F)(F)F)cc2)CCC1	1791302546	REEJUQAHDXQVLA-UHFFFAOYSA-N	406.448	5.007	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1	1799621409	QWVHYSDEJVQNRQ-BJWYYQGGSA-N	423.384	5.238	30	20	HKED	
C=CCn1c(SCc2cc(C)on2)nc2scc(-c3ccc(C)cc3)c2c1=O	5313129	DCTRLUBJJNLKFN-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc2c(c1)CCC2	11127325	IAKJFKOKSRLGQL-UHFFFAOYSA-O	423.561	5.667	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccccc2)cc1	22730390	KMZBACQEUWHAIY-UHFFFAOYSA-O	411.934	5.077	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)n1	32321468	IEFYTYZWTWWMLV-QGZVFWFLSA-N	407.461	5.344	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161977	SYNJDUFWBJXZSY-GOSISDBHSA-N	417.484	5.696	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccccc2CSc2nc3ccccc3o2)n1	48787074	YXNYWASZSQUZGS-MRXNPFEDSA-N	405.504	5.375	30	20	HKED	
CCc1nc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1	146881298	FWCWWPVIYFRMCJ-UHFFFAOYSA-N	406.511	5.342	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCC(C)C	195664159	PVMXMMCPCXTKJX-OAHLLOKOSA-N	414.914	5.483	30	20	HKED	
CN(C)c1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	211392815	NSJMMJKQXRGHMC-GDNBJRDFSA-N	404.897	5.554	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNCc2ccc(OC(C)(C)C)cc2C(F)(F)F)cc1	237577718	UUSNGRARPVRLME-OAHLLOKOSA-N	406.448	5.463	30	20	HKED	
N#CCCCOc1cccc(NCc2csc(COc3ccc(Cl)cc3)n2)c1	237767289	VHDRPSOCFKOYHV-UHFFFAOYSA-N	413.930	5.670	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cnc1Cl	303291498	MNBAXRWPJBDFEG-SNVBAGLBSA-N	410.724	5.002	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1	303305510	PNYCHFOMRNCEHV-STQMWFEESA-N	409.338	5.651	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1	428137193	FBMIBGGDFADKDG-UHFFFAOYSA-N	405.523	5.252	30	20	HKED	
CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1	429260774	NYBWOJOMJKSEIX-OAQYLSRUSA-N	419.916	5.184	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cccc(SCC#N)c1	429933823	OOEKYQLYNIAQRB-UHFFFAOYSA-N	403.345	5.116	30	20	HKED	
C=CCN(C(=O)CC[C@H]1CCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	433495816	BVYOVZZEXXXSTF-ZDUSSCGKSA-N	411.354	5.453	30	20	HKED	
CC(C)Oc1ccc(NC(=O)Nc2cccc(COCc3ccco3)c2)cc1C#N	435546212	PRDOTFXNFVDXIL-UHFFFAOYSA-N	405.454	5.299	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1	435651376	SALCLJDSCOJWMR-SFHVURJKSA-N	405.420	5.493	30	20	HKED	
CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccnc1	435687119	ZELUTCIBZRIZOO-HSZRJFAPSA-N	403.457	5.050	30	20	HKED	
CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nc2cc(Cl)ccc2s1	435971330	LOLWDFSXSJMXDA-UHFFFAOYSA-N	421.913	5.003	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nn1-c1ccccc1	437489693	IZJVPZVSLKFSSN-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCOC[C@H]2c2ccccc2)cc1F	438667612	BZDYAMBLKJHASP-NRFANRHFSA-N	417.440	5.095	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1ccccc1	438867098	REQJJWKHMVSNSE-FPOVZHCZSA-N	409.942	5.835	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cc1Cl	439301484	HCCMCOIOLLTXBT-XQBPLPMBSA-N	423.944	5.276	30	20	HKED	
C=CCNC(=O)Nc1ccc(N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1	439553527	UQJGQGDXAXKSAD-SFHVURJKSA-N	414.509	5.420	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cc(NC(C)=O)ccc1C)c1ccc(C(F)(F)F)cc1	442209350	OOFZZEWEZCWJQE-LJQANCHMSA-N	419.447	5.801	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1	443515956	MEMAKUHXEHBYSG-AWEZNQCLSA-N	423.929	5.688	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H](C)c1cccc(O)c1	460377987	VMXNDBLNFQBQDO-DLBZAZTESA-N	410.493	5.036	30	20	HKED	
C[C@@H](C(=O)N(Cc1cccnc1)c1ccc(Br)cc1)c1cccc(C#N)c1	463467920	YQOCRDUACSUKNH-MRXNPFEDSA-N	420.310	5.053	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1	464814165	LDOZAJRJBDAPLV-RTBURBONSA-N	412.415	5.027	30	20	HKED	
Cc1ccc(OC(F)F)c([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1	468949661	ITRJAURAVGZQBO-MRXNPFEDSA-N	413.468	5.353	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	474436832	WEDWCASRQQLOJH-OAHLLOKOSA-N	415.515	5.240	30	20	HKED	
COc1cc([C@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1OC1CCCC1	474908779	OPNGMRVGRYKWBS-GHTZIAJQSA-N	406.526	5.281	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1c1nc2ccccc2o1	475555541	XKYWDANSPLJKHU-NRFANRHFSA-N	403.526	6.439	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cs1	475864717	IDPJOILXQADZQS-HXUWFJFHSA-N	423.925	5.746	30	20	HKED	
CC(C)CN(C(=O)CCCCOc1cccc(C#N)c1)[C@H]1CCCc2cccnc21	475974859	IBDARUALRYAFIS-QHCPKHFHSA-N	405.542	5.065	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCc3c(O)cccc32)cc1	476063157	LQSIHMZCTTWMBW-QHCPKHFHSA-N	412.489	5.096	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)o1	477388155	ODTUVLZRQSCNQE-UHFFFAOYSA-N	418.880	5.313	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2csc(-c3ccco3)n2)cc1	478582326	QOMQXPAAZRNBCI-UHFFFAOYSA-N	416.462	5.389	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CSc1cccs1	482659806	KXCXIPFMEVYZAZ-UHFFFAOYSA-N	424.469	5.705	30	20	HKED	
CCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1ccccc1C	482696531	ICANVZMAQBVLNK-UHFFFAOYSA-N	423.476	5.054	30	20	HKED	
C=CCSc1ccccc1C(=O)NCCCCc1nc(-c2cccnc2)cs1	486206701	XCFPUUYRKLRXCW-UHFFFAOYSA-N	409.580	5.236	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccc(COCC(F)(F)F)cc1	488296618	UTBMVFDKWCFOLH-UHFFFAOYSA-N	407.342	5.076	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1	488380852	QLZYXEBHNOCDKC-NRFANRHFSA-N	402.469	5.305	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2cccs2)n1Cc1ccco1	489439957	PXZFWKLWVIWMBK-UHFFFAOYSA-N	420.563	5.741	30	20	HKED	
C=CC[C@H](C(=O)Nc1cc(Br)cc(C(=O)OC)c1Cl)c1ccccc1	489729709	VBQDNQSPPKVDFP-AWEZNQCLSA-N	422.706	5.188	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1C	491490408	MJRPOHVMOBQOOD-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
COc1cc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(OC)c1C(C)C	491981974	VRKHHPNXUZGNJP-HNNXBMFYSA-N	413.543	5.723	30	20	HKED	
CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](c1ccc(Cl)cc1)C1CCCC1	499912857	QFUHWKMSWKHESP-JOCHJYFZSA-N	406.917	5.625	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccc(F)cc2Cl)cc1C	500897595	ZRGVKNYULQZWCI-UHFFFAOYSA-N	424.907	5.145	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1c(Cl)cccc1Cl	505511426	DGNLZOMWPNLEAL-HNNXBMFYSA-N	401.215	5.483	30	20	HKED	
Fc1ccc(-c2nc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)co2)cc1	505861950	GYXBHANZFYDOKQ-MRXNPFEDSA-N	418.312	5.893	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1cn(C)c2ccccc12	506628742	VJTJXJHSTFVBEN-KRWDZBQOSA-N	410.477	5.288	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc(CSc2ccc(C#N)cc2)n1	508667224	SIHQSBCIBVOCPE-LJQANCHMSA-N	413.930	5.445	30	20	HKED	
Cc1[nH]nc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)c1C#N	508752256	BNRRZZNEGWRVSI-UHFFFAOYSA-N	406.442	5.020	30	20	HKED	
C=CCn1c(Cc2ccsc2)nnc1N1CCC(c2nc3ccccc3s2)CC1	509000276	JGUSOIQEYNIMLU-UHFFFAOYSA-N	421.595	5.110	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CSCc1cccnc1	509953241	RLUOGPJOIVPNRU-UHFFFAOYSA-N	407.926	5.073	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1	511332179	HNSMTWMZPNQQMW-JOCHJYFZSA-N	419.912	5.167	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(Br)c1)c1ccc(C(F)(F)F)cn1	511926414	QDGNVADYERYJSD-SNVBAGLBSA-N	403.585	5.006	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C(C)C	512257833	NCLFOUOUNQFTJD-UHFFFAOYSA-N	415.493	5.352	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	513107313	FEUFPSKMMMFDHJ-UHFFFAOYSA-N	412.361	5.014	30	20	HKED	
CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	513997638	ULCMSMUUYLOUOP-UHFFFAOYSA-N	409.383	5.081	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Cl	518137377	CXUKPELOTQCPFM-CYBMUJFWSA-N	409.338	5.653	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2	521798036	ZBMJBIXRGGDVHJ-MRXNPFEDSA-N	402.523	5.008	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCSC[C@H]2c2ccccc2)c1	522344019	XAYGHSUTJGEQRM-QHCPKHFHSA-N	414.530	5.068	30	20	HKED	
COc1ccc(-c2nnc(S[C@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)cc1	522822142	FNUJHCFHBRDKEN-MRXNPFEDSA-N	416.506	5.320	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccc(F)cc1Cl	522897486	KNUIDFFCTDZBAJ-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
COC(=O)[C@H](Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1	524012780	LPHFNRLAFWVTRL-HSZRJFAPSA-N	420.896	5.311	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	524105392	AVGBTMIJZFZZRA-QZTJIDSGSA-N	411.288	5.795	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(F)c(C#N)c3)c2)cc1	524456867	PSJZHUOCJCHPOL-UHFFFAOYSA-N	416.452	5.050	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(C(F)(F)F)c1	524565967	LBGUIYUQNZFSNL-CQSZACIVSA-N	407.461	5.621	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCCOc1cccc(Cl)c1Cl	524674585	QLRVIBKKQDMVFP-UHFFFAOYSA-N	409.338	5.797	30	20	HKED	
COc1ccc(CSc2nnc(-c3ccc(C)cc3)n2Cc2ccco2)cc1C#N	533009746	SSVGMMODVSYCMM-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534137595	RUDLNDHFHFATJE-UHFFFAOYSA-N	401.853	5.148	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3ccccc3)[C@H]3CCCc4ccccc43)o2)c1	538228169	PDHXUVYPAWLGKT-AHWVRZQESA-N	420.516	5.559	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(S(C)(=O)=O)c(F)c1	541177433	ODGOTCRMHYFEJC-SJORKVTESA-N	422.525	5.180	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543873659	ADUAAJKEROGQCM-INIZCTEOSA-N	419.912	5.177	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ncc(-c2ccccc2)[nH]1	543880874	VCMSLOLWKWTDJU-SJLPKXTDSA-N	419.554	5.744	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1	546790987	BVGHLAPXPQPPGV-SFHVURJKSA-N	419.308	5.126	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1	558760330	YUVQMXRVTAKNSR-BTYIYWSLSA-N	417.937	5.837	30	20	HKED	
C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C[C@H](CC#N)c1ccccc1	561067234	IXBQQCXJKJWQJS-MMOPVJDHSA-N	416.443	5.081	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)s2)cc1	562067302	HRGBNHXIPBWJBL-UHFFFAOYSA-N	423.366	5.155	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](COC(F)F)C2)cc1Cl	562100512	RSFRGCMMGKHIHE-KSSFIOAISA-N	419.859	5.088	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1	569377807	RMDGSJYCHIDVPD-GOSISDBHSA-N	402.425	5.246	30	20	HKED	
CC(C)c1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n(-c2ccccc2)n1	570090252	JNBYQRHSBHEWSZ-FYYLOGMGSA-N	413.525	5.299	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCC1(F)F	577639834	UOBKGMXHLGQJTB-KSSFIOAISA-N	403.860	5.504	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1Br	589009527	RLQSCZHKNDMXOS-UHFFFAOYSA-N	413.296	5.458	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccnc3Sc3ccccc3)cn2)c1	603622132	LMXBMGFWJGHKDT-UHFFFAOYSA-N	424.485	5.544	30	20	HKED	
CCOc1ccc(CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cc1	603656329	LQLDSSGPXMTYEF-UHFFFAOYSA-N	419.569	5.763	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nn1C(C)(C)C	603763970	DZZVNGRMOSMMHX-UHFFFAOYSA-N	403.486	5.073	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)c1	604003552	MIQDGQIANYSEHH-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1Oc1cccnc1	608916279	VJQQPFCAYGLVQS-UHFFFAOYSA-N	400.482	5.497	30	20	HKED	
COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)C2	609137866	PIBZMJYFWRLPJD-UHFFFAOYSA-N	413.477	5.339	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cc2ccccc2o1	609378600	QZMPGHYOTFVWJP-UHFFFAOYSA-N	404.413	5.639	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1	609402809	BDPDTNGKCXSQJM-IRXDYDNUSA-N	415.584	5.213	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccccc2)Cc2ccccc2F)c1	609520683	VUPQHSUYEJEJPR-UHFFFAOYSA-N	416.496	5.475	30	20	HKED	
CCOc1ccc(-n2c(S[C@@H](C#N)C3CCCCC3)nnc2-c2cccnc2)cc1	609648601	SSLOVYRROHJHOJ-NRFANRHFSA-N	419.554	5.293	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCS[C@@H](c4ccccc4)C3)c2)cc1	609789954	OMLYAUBWYONCEU-HSZRJFAPSA-N	400.503	5.281	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCS[C@@H](c4ccccc4)C3)cc2)cc1	609791293	FOHJFDGEWAZPDJ-XMMPIXPASA-N	414.530	5.475	30	20	HKED	
Cc1sc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)c(C#N)c1C	610221004	UBKKEHIBUQSDGM-UHFFFAOYSA-N	403.935	5.517	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	610632023	NAHUYUJDHLVELI-ZWKOTPCHSA-N	423.385	5.644	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(-c4ccccn4)c3)cn2)cc1	610972836	MWPBVODUBQFWTK-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
CC1CCN([C@@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)c2cccs2)CC1	611092899	UBSOVIVTNDFMPV-KRWDZBQOSA-N	422.381	5.130	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c(Cl)c1	611488321	IIBASPSMVMENTB-UHFFFAOYSA-N	408.248	5.056	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1ccc2ccccc2n1	613292449	KKZVWLBOACSIAO-OAQYLSRUSA-N	419.459	5.867	30	20	HKED	
CC(C)(C)n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C1CC1	613319624	JBHZVOWJXMFHJE-MRXNPFEDSA-N	424.957	5.782	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc1	616096757	RUEQVJYLBVIKNV-OAQYLSRUSA-N	404.901	5.363	30	20	HKED	
C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618449223	DKZLAZOOQVVVGW-VWYCJHECSA-N	415.328	5.555	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc(F)c(C)c2)cc1OCC	672818309	AOWBWIQYMKJAMY-UHFFFAOYSA-N	408.311	5.150	30	20	HKED	
C[C@H](CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	674443951	FMXJAYWRHPLIDU-ICCXJUOJSA-N	421.303	5.398	30	20	HKED	
Fc1cc(-c2noc(CNc3ccc(C(F)(F)C(F)(F)F)cc3)n2)cc(F)c1F	676029026	QENYHAFNWSPQSJ-UHFFFAOYSA-N	423.263	5.420	30	20	HKED	
CCN(CC)C(=O)Nc1ccc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cc1	678593913	BMUVZYRFMLYUHY-QGZVFWFLSA-N	417.475	5.281	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)N(C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	679993771	JIXAALKEDQNKIU-GFCCVEGCSA-N	416.268	5.315	30	20	HKED	
C#Cc1cccc(NC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)c1	729033603	PPYUUZHNCNOPMV-QGZVFWFLSA-N	401.329	5.131	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1ccc2ccccc2n1	730071126	GXUAVYQUJIJFHE-DFBJGRDBSA-N	412.489	6.084	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1	730393716	AQBJWROXEIPIEN-KXBFYZLASA-N	416.930	5.954	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	730687909	QIGMKHUGDHRODU-KZNAEPCWSA-N	401.293	5.007	30	20	HKED	
Cc1cc(C)cc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	730955347	YSGYOXUMZIFSRG-UHFFFAOYSA-N	409.502	6.137	30	20	HKED	
CC(C)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)Cc1ccc(Cl)cc1Cl	732644675	ZTQOLBBXMQHXIZ-SFHVURJKSA-N	419.352	5.069	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1	733030629	GWPVPPSKLZGMAK-XUZZJYLKSA-N	417.459	5.989	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(NCc2ccc(F)cc2)s1	735230301	JKMHIOWAWZPFQN-UHFFFAOYSA-N	420.922	5.137	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cs1	736829778	UXRPUUUDQZUOKI-INIZCTEOSA-N	422.506	5.048	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	739179458	DNVKJNQMRHHQQR-NHYWBVRUSA-N	406.404	5.509	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1	739423726	CBPMZNPNOHPLAU-BENRWUELSA-N	420.852	5.705	30	20	HKED	
CC(C)Oc1cccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	740034339	CHMOOFPGXKDNBA-UHFFFAOYSA-N	405.523	5.073	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)n2)cc1	744061155	HNCOBQCSPFRSIG-RYQLBKOJSA-N	410.445	5.077	30	20	HKED	
CC(=O)c1cccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	745313515	OSYMLAIKBUPMKN-IFXJQAMLSA-N	424.909	5.310	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1	747109354	PTMOVPIYMSOCHA-CXAGYDPISA-N	411.288	5.598	30	20	HKED	
Cc1cc(/C=C\C(=O)c2cnn(-c3ccccn3)c2C)cc(C)c1OCc1ccccn1	748442213	QSOTWGMWNJXMSX-KHPPLWFESA-N	424.504	5.063	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	751152247	MOTLBUUERGUVKT-QGZVFWFLSA-N	405.281	5.132	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)cc1C#N	752303365	OSMCEJWTVFGFGQ-IBGZPJMESA-N	410.474	5.177	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	757758990	BEDQMGQCSRLMIJ-XMMPIXPASA-N	409.489	5.218	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccco2)s1	766256938	WUNUPVLRBIXHGO-ZDUSSCGKSA-N	418.446	5.284	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1	766622556	JPXUXSDOYXVKKV-AHRSYUTCSA-N	404.938	5.143	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c1	770396714	YFLZSXQARCTPKD-GCJKJVERSA-N	413.468	5.083	30	20	HKED	
CN1C(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(=O)[C@@H]1c1ccccc1	771817319	IVKPMZZXMOCGJI-UNMCSNQZSA-N	415.880	5.135	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3c(F)cc(Br)cc32)c1	772985950	VJUSYPMRNPAABP-YWZLYKJASA-N	403.295	5.046	30	20	HKED	
CC[C@@H](Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccc(C#N)cc1	774349888	DTFBAZCWZHVQPB-OAQYLSRUSA-N	417.475	5.755	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC2CCC(O)(c3ccc(C(C)C)cc3)CC2)c1	781905356	NGUBQJWXRIAYEH-MYIFBMMKSA-N	406.570	5.411	30	20	HKED	
Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)cn1	782235528	WGPGJXVTJUPNEG-HSZRJFAPSA-N	410.452	5.134	30	20	HKED	
N#Cc1cccnc1OC1CCC(NC(=O)c2c(Cl)ccc(Cl)c2Cl)CC1	782936636	GGYFLKNECYGQOS-UHFFFAOYSA-N	424.715	5.033	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1	787045256	IPDISHSPUGVYAX-QZTJIDSGSA-N	423.925	5.053	30	20	HKED	
Cc1c(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cnn1C(C)(C)C	787187221	RUAFAODTWUPBNG-SEYXRHQNSA-N	411.509	5.090	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	796628566	KHWVTQHOQHHEQP-MRXNPFEDSA-N	407.495	5.442	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	797942415	FAMQAKNFWUJPOI-GWCFXTLKSA-N	415.292	6.119	30	20	HKED	
C=C(C)Cn1c(C2CCCC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	802551379	SZZGXKWEVCGYRU-NRFANRHFSA-N	414.981	5.115	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Br)c(F)c1)c1nc2cc(Cl)ccc2s1	810535219	HQVPCOGFIRCLQL-LLVKDONJSA-N	423.694	5.270	30	20	HKED	
Cc1ccc(-c2cc(C(=O)OCCCC#N)c3sc(N4CCCCC4)nc3n2)cc1	913271821	YYBMPDDMMXLGSB-UHFFFAOYSA-N	420.538	5.118	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1	915353809	XSLUFXMQXPONCZ-AHWVRZQESA-N	418.500	5.648	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3ccco3)sc2C)cc1	916915456	JRFZBPCOSPALOS-QGZVFWFLSA-N	407.495	5.015	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916972196	KTBPJJIUKRUFRI-FQEVSTJZSA-N	402.519	5.520	30	20	HKED	
CCCN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)[C@@H](C)c1cc2ccccc2o1	919723643	GKVIOWDCBTVQRO-FXAWDEMLSA-N	424.504	5.443	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OCC(F)(F)F	921261523	GVQCODPVASJBMD-VOTSOKGWSA-N	421.327	5.187	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)CCC1	1786290410	QXVNBKOLHDRENT-LJQANCHMSA-N	420.578	5.105	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccnn3C(C)C)cc2)CCC1	1789799540	GSALBRRGKSTGFY-UHFFFAOYSA-N	422.573	5.204	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C#N)cc1)C(=O)c1ccccc1	7912920	FQJJEJOFWGVEMB-JJIBRWJFSA-N	408.501	5.588	30	20	HKED	
C=CCN(C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1nc(-c2ccccc2)cs1	14723512	MLSUQKBPHVEPFG-AWEZNQCLSA-N	421.547	5.076	30	20	HKED	
C[C@H]1CN(Cc2csc(/N=C(\O)c3sccc3-c3ccccc3)n2)C[C@@H](C)O1	22297034	AIUAPHITLDPSDX-GASCZTMLSA-N	413.568	5.117	30	20	HKED	
COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(C)cc1	29831928	CCIQHVHWZKDXOG-UHFFFAOYSA-N	412.518	5.415	30	20	HKED	
Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2)cs1	32289479	SRWHBXZQZUANPD-UHFFFAOYSA-N	414.490	5.150	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1csc(C(C)(C)C)n1	48053365	ILZWYEHFWVBZKV-UHFFFAOYSA-N	418.563	5.229	30	20	HKED	
C[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161655	SPWXFUCQSWKPBM-KRWDZBQOSA-N	417.534	5.544	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(N3CCCC3)n2-c2ccccc2Cl)cc1	61153097	LZBSMGQFUJIVIC-SFHVURJKSA-N	423.973	5.056	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCC)cc1C(F)(F)F	63394593	XHVYQADZPCEOBV-UHFFFAOYSA-N	423.391	5.232	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCCc4ccccc43)c2)c1	71944198	RVJKPCVLEHGSOL-HSZRJFAPSA-N	410.477	5.010	30	20	HKED	
CCn1c([C@@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21	97547858	GILVSGGKTKOFQT-QGZVFWFLSA-N	410.477	5.211	30	20	HKED	
COCCOc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	303622834	DLXKEUXYGSQNFW-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2-c2ccccc2C#N)CCN1Cc1ccccc1	303781774	SOUGUAMFIPZONV-QPPBQGQZSA-N	423.560	5.350	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c12	430588693	AFMLGYPHMOIAMD-AWEZNQCLSA-N	408.527	5.297	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)c1ccco1	430619448	BEQMEKUMQOQUEL-OAHLLOKOSA-N	407.495	5.084	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2	431616482	GTVOHWUTUYBAEE-QHCPKHFHSA-N	412.489	5.123	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1	432276367	XKFXTYLCBXDFRN-UHFFFAOYSA-N	401.514	5.134	30	20	HKED	
Cc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(OCC(F)(F)F)c1	432763726	DEPRODGTWONOIR-KRWDZBQOSA-N	405.420	5.493	30	20	HKED	
N#CCCC[C@H](NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccccc1	433031284	IJZIJYTVRKAHKZ-SXOMAYOGSA-N	423.560	5.185	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(OCCCC#N)c1	435553170	BDZKNGTVLWYWDQ-UHFFFAOYSA-N	414.461	5.075	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1C#N	435555336	XPIAEKQVXGRPRI-INIZCTEOSA-N	424.570	5.092	30	20	HKED	
FC(F)Oc1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	436404498	FFIHEVVBPWBQLT-OAHLLOKOSA-N	413.308	6.090	30	20	HKED	
Cc1cnc([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)s1	438050783	AYZPXCAIDRECDP-FQEVSTJZSA-N	404.495	5.388	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](CCC#N)c3ccccc3)c12	439656179	QQFWVVWRKTWRCC-FQEVSTJZSA-N	415.541	5.147	30	20	HKED	
CCCc1c(NC(=O)N(Cc2cccc(F)c2)C2CC2)cnn1-c1cccc(C#N)c1	439701873	LNMATTHGQNZRIC-UHFFFAOYSA-N	417.488	5.032	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1	441117054	CYIIMGLPCGIGOX-UONOGXRCSA-N	423.460	5.720	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1ncc(-c2cccc(Br)c2)o1	441187673	HLUPSKCXYHWJPT-UHFFFAOYSA-N	410.315	5.388	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)s1	442077006	JISJJBGQBFJGGV-LLVKDONJSA-N	412.437	5.009	30	20	HKED	
C=C(C)Cn1c(SCc2cccc(C(=O)OC(C)(C)C)c2)nnc1-c1ccncc1	443480161	AFVXIYNKTSPBHW-UHFFFAOYSA-N	422.554	5.164	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(Nc2ncccn2)cc1	444617421	GVRPZELEMICHNS-UHFFFAOYSA-N	407.433	5.136	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccs1	460371404	UYFPWZDPZSFSFS-ONTIZHBOSA-N	420.582	5.502	30	20	HKED	
CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	464711180	OHQGIEPVZGWSSJ-MRXNPFEDSA-N	403.891	5.067	30	20	HKED	
CSc1cccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2cc(F)ccc2F)c1	466248772	LADMPJMRTUWIEY-JOCHJYFZSA-N	423.488	5.664	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc(F)ccc2SCC(F)F)c2ccccc21	469464115	DWJSELXMXOERID-UHFFFAOYSA-N	417.456	5.694	30	20	HKED	
COc1ccc(-c2ccc(NC(=O)c3cccc(SCC#N)c3)nc2)cc1Cl	469895523	BMVNHQWCQBCORW-UHFFFAOYSA-N	409.898	5.279	30	20	HKED	
N#CC[C@H](CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1	474295172	XKCPDFBEUKTMFV-HSZRJFAPSA-N	420.516	5.243	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(CC2CC2)nc1C	475491346	IDANXFNBPIMSDB-UHFFFAOYSA-N	417.534	5.415	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1	475546996	MLQLALDQAUOHHP-HXUWFJFHSA-N	421.585	5.458	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccn(Cc2ccc(OC)cc2)n1	475566468	HNADSKCFPIUUKD-UHFFFAOYSA-N	404.514	5.436	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	475986152	OTAUVPGOFMDAQT-JTHBVZDNSA-N	405.542	5.614	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1coc2cc(F)ccc12	480732466	YWSURPDNOIMZEV-UHFFFAOYSA-N	401.397	5.121	30	20	HKED	
C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	486140304	AISFVQVAWQTGHK-LJQANCHMSA-N	420.516	5.041	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1	487477508	VMUHMSDNBJVYRQ-FQEVSTJZSA-N	403.507	5.165	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CC1CC(OC(C)(C)C)C1	489280373	UAQKPTDVLQTIHG-UHFFFAOYSA-N	408.517	5.523	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccccc1	490752736	ANUCUEQPZOSDSJ-HKUYNNGSSA-N	400.404	5.116	30	20	HKED	
COc1cccc(C[C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	497501570	QBVAVISIVDMBES-KRWDZBQOSA-N	401.466	5.112	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)s2)c(C)c1	498015508	OMJZBHUFBLELLX-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ncc(Cc2ccccc2F)s1	500311568	AUVFNLXSMYDETR-UHFFFAOYSA-N	413.477	5.664	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503449183	BZDZQIYKHWOKDQ-UHFFFAOYSA-N	423.516	5.767	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N(C)CCc2cccc3ccccc23)c1C#N	505101289	RXCGIDSQKQEYRL-UHFFFAOYSA-N	401.535	5.020	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2OC(F)F)cc1	508456745	MRYQAVCWQXLMDK-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510031528	WATALYCKVDXULU-OAHLLOKOSA-N	408.317	5.746	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cnn1C(C)(C)C	512864483	MTYBBWONJYSGTP-UHFFFAOYSA-N	402.498	5.425	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c(Cl)c1	513202208	UENQIBYFELPNSJ-KRWDZBQOSA-N	419.912	6.060	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](COc2ccccc2Cl)C1	513857079	GPBNYLRRDGXEPH-INIZCTEOSA-N	414.937	5.091	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1	517363100	BVFBKPWBPNONGJ-UHFFFAOYSA-N	415.449	5.865	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)c3ccncc3)cc2)cc1	517655527	HOEMYXAMBSMHNG-AREMUKBSSA-N	419.484	5.459	30	20	HKED	
C=CCOc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1OC	520212256	WQWVGWQCCMGFSD-VWLOTQADSA-N	407.485	5.287	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCc3cc(F)ccc32)cc1	523191134	RKEXZLPGGSKVPJ-DEOSSOPVSA-N	417.459	5.236	30	20	HKED	
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	525284703	BDHKTUWWGDUEAU-DNQXCXABSA-N	411.505	5.544	30	20	HKED	
Cc1ccccc1NC(=O)Cc1nc(CSc2ccc(C#N)cc2Cl)cs1	532856029	MHDSPRZQCMMLRX-UHFFFAOYSA-N	413.955	5.450	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1	534737011	LEUKQYAKYFOYLV-UHFFFAOYSA-N	423.394	5.276	30	20	HKED	
COc1cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)ccc1OCc1ccccc1	537052426	FHHCCHKNYKSEFF-HXUWFJFHSA-N	414.549	5.926	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	539048304	DHUHWKLISXSFKZ-MGPUTAFESA-N	420.475	6.031	30	20	HKED	
CN1CCC(N(C)c2ccccc2CNCc2ccc(-c3ccccc3C#N)cc2)CC1	540203294	ZPHLPFPSEOYYPQ-UHFFFAOYSA-N	424.592	5.045	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3)n2)c(Cl)c1	541100073	AQSSVHVWDOODFW-LJQANCHMSA-N	423.879	5.296	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)cc1	544221188	NZPHLPMVHQTNOC-NZQKXSOJSA-N	418.585	5.172	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cnc2ccc(Cl)cc2c1	550991242	XGKUNQDYABDXPA-CQSZACIVSA-N	411.914	5.300	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)c1	551822641	IAJBGWXHBQGMLM-UHFFFAOYSA-N	411.505	5.184	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(C#N)ccc1NC1CC1	557062511	WVHZBOHUHRPKQM-UHFFFAOYSA-N	410.449	5.095	30	20	HKED	
N#C[C@@H](NC(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(OC(F)(F)F)cc1	562412770	DGWPVMNHDMAVAZ-CYBMUJFWSA-N	407.150	5.026	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	565859530	DYTLXJLUUOHWHX-AUUYWEPGSA-N	424.957	5.686	30	20	HKED	
C=CCC[C@@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1	571692633	KGVZPSVPNKVNFX-WOJBJXKFSA-N	401.428	5.589	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)cc2)nc1	572202223	HAMLLIYSTLEMSE-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	575771323	LHSABJLAGPFZLY-UHFFFAOYSA-N	423.454	5.258	30	20	HKED	
CCOc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cc(Cl)c1OC	583901580	ILJXVXZBOHINDW-UHFFFAOYSA-N	409.873	5.418	30	20	HKED	
C=CCOc1c(Br)cc(CNc2ccnn2[C@@H](C)C2CC2)cc1OCC	589649380	DRGCEIPFKQDGLI-AWEZNQCLSA-N	420.351	5.192	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	598192174	BZTBBSJMLOFXTR-NXEZZACHSA-N	420.300	5.191	30	20	HKED	
CC(C)c1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2cnn(C(C)C)c2n1	603527545	MMHRUWAPIXNILG-UHFFFAOYSA-N	403.530	5.058	30	20	HKED	
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	603601221	UNGMNJQMBSZJCV-UHFFFAOYSA-N	415.493	5.503	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2nc(-c3ccco3)cs2)cc1	603672337	GYKSNAUOAUBILX-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccccc3)cn2)cc1	603829159	LKUUQMAQYJKAQK-HSZRJFAPSA-N	412.493	5.895	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1	606322487	FSNQPVDDBPYOKI-UHFFFAOYSA-N	420.896	5.434	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3ncon3)cc2)cc1	608883602	PPKBKZURZMXHLH-UHFFFAOYSA-N	412.474	5.153	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)o1	609414892	BMOFIUXMWGBKMN-HXUWFJFHSA-N	418.493	5.159	30	20	HKED	
C[C@H](SCc1noc(Cc2ccc(Br)cc2)n1)c1ccc(C#N)cc1	609825710	OGZXCAIVAIEPQA-ZDUSSCGKSA-N	414.328	5.289	30	20	HKED	
COc1ccc([C@H](C)CCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	610185712	PHIPYUFIBSQRBJ-GOSISDBHSA-N	416.546	5.642	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	610331098	SRBQSCGZPDWYKS-GOSISDBHSA-N	403.404	5.345	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610422282	QCYAZHHGFAOGBS-HNNXBMFYSA-N	401.800	5.482	30	20	HKED	
CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C	610489937	NNYXGVOVKIYVFZ-UHFFFAOYSA-N	415.518	5.537	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@H]2[C@@H]3C(F)(F)F)c1	610494588	HPYIIAZLSNVUHM-VHSSKADRSA-N	406.791	5.027	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(C)(C)[C@H]1CCCCO1	610718086	JEPJECBEMGUYGO-HSZRJFAPSA-N	421.541	5.163	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c(Cl)c1	611197844	JGTREIQKHGYBPW-UHFFFAOYSA-N	424.287	5.047	30	20	HKED	
N#CCCn1cc(CNc2ccccc2SCC(F)(F)F)c(-c2ccccc2)n1	611287923	YFTQYSRSJLSOTQ-UHFFFAOYSA-N	416.472	5.730	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2c1C	613318760	CUUOICKDBIDRSD-GOSISDBHSA-N	405.910	6.052	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c3ccccc3n2)o1	643777989	MNIZPZYLAXYZLY-KRWDZBQOSA-N	421.378	5.707	30	20	HKED	
Cc1nc(CC2CC2)oc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	682766443	WDZMQXPANZYMPY-LBPRGKRZSA-N	405.401	5.054	30	20	HKED	
C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@]2(CCCOC2)C1	685549616	JLLOOKJEYNNUJO-OAQYLSRUSA-N	414.962	5.006	30	20	HKED	
CS(=O)(=O)c1ccc(Oc2ccc(N=Cc3c(O)ccc4ccccc34)cc2)cc1	726427565	OYZFLDYOBZJYQP-UHFFFAOYSA-N	417.486	5.492	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccc(F)cc2)s1	726755592	RJZXQUAKRUPJJJ-UHFFFAOYSA-N	401.466	5.303	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc(-c2ccccc2)cs1	727954733	TUBQKABXZXQHCI-QFIPXVFZSA-N	416.546	5.941	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cccc(O[C@@H](C)C(=O)O)c1	728441724	OXPLNKZZAVCOTF-BMSUMIBZSA-N	411.454	5.006	30	20	HKED	
N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc2cc(F)ccc2s1	730422064	SPMXPIZOTYQTPI-OAHLLOKOSA-N	411.458	5.117	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	731287995	MICVXFABZLCAAN-QRVBRYPASA-N	423.299	5.598	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)[nH]c1C	732062540	RVELSFNCBWKBIN-UHFFFAOYSA-N	422.488	5.804	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](Cc2ccccc2)c2ccccc2)ccc1OC	733324240	XQMQKGXPCUZAMS-BJKOFHAPSA-N	400.522	5.450	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1	733800172	UNJLVNSWONMZMI-JSGCOSHPSA-N	424.303	5.374	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)nc2ccccc21	735764648	CWALUZVLJHAZOH-FTWJINIUSA-N	417.940	5.452	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	738895269	IQAUNHALQOZJRS-RPWUZVMVSA-N	413.521	6.393	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCCCC[C@@H]3c3ccncc3)c2)s1	740484201	JIFMMNNOTGUMMY-JOCHJYFZSA-N	416.550	5.509	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C	743093393	TVKUNIRXUUOSPF-IZZNHLLZSA-N	409.533	6.328	30	20	HKED	
CCN(Cc1cccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1)C(=O)OC(C)(C)C	743161347	GRKCDQYROIDTGT-KRWDZBQOSA-N	422.529	5.198	30	20	HKED	
C[C@@H](Nc1ccc(N(C)Cc2ccccc2)cc1)C(=O)N(CCC#N)c1ccccc1	743472595	PVGWBUXCULZGFE-OAQYLSRUSA-N	412.537	5.070	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1scnc1C	743741311	CYFSYZNZMHWLBA-LJQANCHMSA-N	423.563	5.088	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3cnc(C(C)(C)C)s3)n2)cc1	744032633	UXNRGSACDRJSOE-DOOKAGJSSA-N	407.564	5.762	30	20	HKED	
Cc1nsc(N(C)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1C#N	748234069	CRGPHBMJDCXWED-UHFFFAOYSA-N	416.742	5.775	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-]	750179225	GNSFOPRGYXEVRY-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)c(C)cc2F)[n+]2ccc(C)cc2)c1	753975135	UXUNSLUQCSRHLX-UHFFFAOYSA-O	421.492	5.174	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2C#N)c(Cl)c1	758122185	NVOBSFYOUNQXQX-LBPRGKRZSA-N	424.806	5.031	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3ccc(Cl)nc3)s2)c(C(F)(F)F)c1	758451544	IAFYGRLPXICUKM-UHFFFAOYSA-N	408.836	5.285	30	20	HKED	
N#C[C@@H](C(=O)/C=C\SCc1ccco1)c1nc2cc(C(F)(F)F)ccc2s1	759819723	MAOIPGKZUNTAAY-VGVVRCBHSA-N	408.426	5.531	30	20	HKED	
O=C(CSCC(F)(F)F)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	761760941	MLXOHJNZWUUJGS-JTQLQIEISA-N	400.262	5.148	30	20	HKED	
N#CCOc1ccccc1C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1	763715662	IXTHSBFBMDACIH-UHFFFAOYSA-N	401.293	5.215	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	766619734	OJKPZUQPWLXYKT-HNNXBMFYSA-N	421.570	5.107	30	20	HKED	
Cc1sc2ncn(N=CC3CCC(C(F)(F)F)CC3)c(=O)c2c1-c1ccccc1	767363344	VNCKAVGSBGDAEQ-UHFFFAOYSA-N	419.472	5.636	30	20	HKED	
CCN(Cc1ccccc1NCc1ccc(O[C@@H](C)C#N)cc1)C(=O)OC(C)(C)C	770528983	KPMPXRHYDOXHKR-SFHVURJKSA-N	409.530	5.347	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F	770651298	CFCXSYLJFQVAJU-QFYYESIMSA-N	415.774	5.195	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Br)c(F)c2)ccc1OC	772987401	UCNQQFZLWGWZGC-CZUORRHYSA-N	421.310	5.129	30	20	HKED	
C#CCCCCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1	773357154	SWXSPCRGTGDXIX-UHFFFAOYSA-N	416.396	5.145	30	20	HKED	
CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1C#N	778177136	FQJHONSCHLHNHL-QGZVFWFLSA-N	414.461	5.097	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Br	780676126	JKNFQFJMEWCKIU-RDTXWAMCSA-N	414.303	5.109	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	780677128	HDSVCOAZFVTJNH-ACJLOTCBSA-N	404.297	5.653	30	20	HKED	
FC(F)C(F)(F)COCCSc1ncc(-c2ccccc2)n1CC(F)(F)F	786724386	XSCRFBMAXFYBKO-UHFFFAOYSA-N	416.362	5.122	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	797173293	XOEQXWMAILDPKM-UHFFFAOYSA-N	414.893	5.243	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	799215416	NBFVVNXJEJGNDM-NTKDMRAZSA-N	422.598	5.115	30	20	HKED	
N#CC1(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)CCCC1	806584404	FNTBZOCAZJIMAN-UHFFFAOYSA-N	408.502	5.161	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC	813222070	ZRYVSYUGTFXHBL-UXHICEINSA-N	400.563	5.513	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915351541	DSFKJKUATUDZKY-FQEVSTJZSA-N	412.518	5.616	30	20	HKED	
O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1)c1ccc(F)cc1F	916127569	KGNVQWNWBNBSTR-CBIKUMSCSA-N	410.366	6.035	30	20	HKED	
Sc1nnc(-c2cccs2)n1N=Cc1c(-c2ccccc2)[nH]c2ccccc12	916604321	GCOXTWFXEXQZJC-UHFFFAOYSA-N	401.520	5.326	30	20	HKED	
Cc1cc(OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1C(C)C	916852934	BIRPUWJQYUMOOO-UHFFFAOYSA-N	419.481	5.060	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1	916973992	BXFQAJKNWGJXGS-IBGZPJMESA-N	410.926	5.807	30	20	HKED	
N#C[C@H](C(=O)CCOCC(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995642	ANZHEDHHVMHPDL-LLVKDONJSA-N	423.243	5.262	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997312	VFEZXWUTLXWSMY-NVXWUHKLSA-N	415.345	6.487	30	20	HKED	
CCCCCCC[C@H](C)CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1	918380564	FOXHKFCHUWEHIR-INIZCTEOSA-N	413.027	5.367	30	20	HKED	
O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1	918714189	WADAFVUFFQOTPL-TWGQIWQCSA-N	400.843	5.180	30	20	HKED	
Cc1c(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cnn1C(C)(C)C	919194204	VXBWQKNVXDVSCV-UHFFFAOYSA-N	401.510	5.003	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)c1cccc(Cl)c1	921006761	HNMHIXLJZOMXED-UWVGGRQHSA-N	409.704	5.021	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1	1792126846	NCEFFBXNBTWSHO-MOPGFXCFSA-N	415.537	5.274	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1	1819554965	UVKGOUSWPXHMBD-AZUAARDMSA-N	412.578	5.141	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)cc1	4840832	CEBHVJKGDSRUBO-MOSHPQCFSA-N	405.523	5.018	30	20	HKED	
C[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2	6034687	NKDNSMKZSQLQNE-YSKWHIJTSA-N	413.433	5.089	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccccc2CC)c1	10174516	VEOGCFDDUYGPTJ-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1OC(F)F	25791316	PTTZWAMKQXGFAU-HNNXBMFYSA-N	424.472	5.802	30	20	HKED	
CCN1C/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)C1	33764004	GTMASLQXBKMFQK-GJHDBBOXSA-N	415.621	6.653	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)[C@@H](C)c1ccc(C#N)cc1	57386195	ULRSDBMCGRRDIW-ZDUSSCGKSA-N	415.971	5.549	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cs2)cc1	60949478	YZMHMSWVXYEXCA-AWEZNQCLSA-N	407.564	5.358	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1Cl	63339287	QAQJYRUIYAGHFJ-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
CC(C)Cc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1	64101531	DQEKLIDIAKEFQC-AWEZNQCLSA-N	401.944	5.609	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12	65774426	GOYIJKIHTVNXGU-UHFFFAOYSA-N	415.468	5.208	30	20	HKED	
N#CCOc1cccc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1	107752005	BFTOBQYHNTZQGU-UHFFFAOYSA-N	412.367	5.652	30	20	HKED	
Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C	303917724	NZVARYPBSZZOCM-JTSKRJEESA-N	407.583	5.331	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	303939115	YMHVTURMXMXLOU-CABCVRRESA-N	406.473	5.917	30	20	HKED	
CCCCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1CC	428705432	BZTKKQVNFBXOPU-UHFFFAOYSA-N	420.488	5.088	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)oc12	431775646	YOWINSALFRSIGH-XLIONFOSSA-N	405.498	5.627	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1OCCc2sccc21	432896552	HQIFJIATTLOUBB-NYHFZMIOSA-N	404.491	5.301	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1	433017126	ADCBAIZSCKGTRZ-QGZVFWFLSA-N	409.839	5.322	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1	433022242	UKDYRGLSGMDMLG-JOCHJYFZSA-N	415.562	5.801	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cn(CCC#N)nc1-c1ccncc1	435127195	VGTGUNRADIMWOY-OAHLLOKOSA-N	414.340	5.359	30	20	HKED	
COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	437612156	IDTCEXKQYKCJFP-GOSISDBHSA-N	415.493	5.358	30	20	HKED	
O=C(Nc1cccc(CC(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	438526970	BBPCQNMAPPITBC-UHFFFAOYSA-N	408.264	5.140	30	20	HKED	
COc1cccc(Oc2ccc(N[C@H](C)C(=O)N(CCC#N)c3ccccc3)cc2)c1	439575543	RVEHELIDVYPYTI-LJQANCHMSA-N	415.493	5.235	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1	443875955	HJKJKSZQJBDIGC-UHFFFAOYSA-N	423.394	5.390	30	20	HKED	
CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H](C)Cc1ccc(OC)cc1	444185476	QQJLILGOFGFQQT-IBGZPJMESA-N	403.526	5.047	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc3cc(C)c(C)cc3o2)c1C#N	445566772	ZUKHJKLCEBMGOI-UHFFFAOYSA-N	402.479	5.081	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	447552476	NKCOPHOPGKORLQ-KRWDZBQOSA-N	400.482	5.153	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1C	460342971	KBVMWTOSZVSHEK-UHFFFAOYSA-N	405.885	5.206	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1)c1ccccc1	460387712	QBDAYLSSBOMRHV-DLBZAZTESA-N	422.451	5.119	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C	460955532	YBTMBVJUHRXFBJ-UGSOOPFHSA-N	407.345	5.136	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1)c1cccc(C#N)c1	462234760	SGGNCWUNMYSROZ-CYBMUJFWSA-N	402.404	5.122	30	20	HKED	
Cc1ccc(C[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c2ccccn2)cc1	466021748	LJFZESFAHZONAU-AYRHNUGRSA-N	424.548	5.155	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1F	466201337	XVKVTMBQFDILPA-UHFFFAOYSA-N	423.419	5.268	30	20	HKED	
CCOc1c(Cl)cc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1Cl	466283719	SUDUZUFFSGFGOK-UHFFFAOYSA-N	415.280	5.010	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	471462481	NLWBZSNEQFUGOF-WMLDXEAASA-N	419.472	5.175	30	20	HKED	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	471781171	OYRYOEHQVGEDDP-ZDUSSCGKSA-N	414.600	5.309	30	20	HKED	
C=CCN(C(=O)c1ccncc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	472544326	VMJPPVGWDCFCQE-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
N#CCc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	474276925	RGRMFLQRSNBCFP-MRXNPFEDSA-N	400.322	5.195	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F	475578234	NIPVLAVOPYKRQB-HXUWFJFHSA-N	406.448	5.972	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C[C@H](CC#N)c1ccccc1	475584580	IEWYQEDPPHVWGC-NRFANRHFSA-N	402.469	5.739	30	20	HKED	
CC(C)(C#N)CCCSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1	475958918	OWYNINYYIQPNFR-MRXNPFEDSA-N	409.559	5.027	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)c1	477285928	FRORIHMEQQOIHI-GOSISDBHSA-N	419.319	5.085	30	20	HKED	
Cc1ccc2c(N3C[C@@H](C)C[C@H]3c3cccnc3)c(C#N)cnc2c1Br	480113254	BWNQTOBUMOVRFW-UGSOOPFHSA-N	407.315	5.160	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-]	483221272	YOKBCPMAMBSPLI-INIZCTEOSA-N	420.494	5.166	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c(F)cccc2Br)cc1	486659591	SBNPGZKUOQQLKG-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccccc2Br)nnc1-c1ccccn1	488927586	DMBHEGUWDINWFD-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1)c1ccccc1	488982535	PVLFCVPPCGLAAG-NRFANRHFSA-N	406.526	5.512	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(Br)c(F)c2)nnc1-c1ccncc1	489421055	BJHYXECJEHVDEW-UHFFFAOYSA-N	419.323	5.110	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F	490812853	MBXMBOSVMQPIAA-FQEVSTJZSA-N	414.431	5.263	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1	493113777	OFJPVQPIJLAMIB-UHFFFAOYSA-N	412.558	6.029	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(C)c2)c1	503068565	LFKOATOGXXPOQB-RUZDIDTESA-N	422.525	5.083	30	20	HKED	
Cc1nc(NC(=O)c2cc3sc4ccccc4c3s2)sc1SCC#N	504684493	KHHTZTGURBWMKU-UHFFFAOYSA-N	401.563	5.749	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(Br)s1	505938609	OGNMTOUGMXINPT-JOYOIKCWSA-N	417.250	5.014	30	20	HKED	
N#C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1	505975925	IMBMNNIRLUYBNR-HZPDHXFCSA-N	400.322	5.122	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(Cl)c(Cl)c1	505982180	QARDVFWYVJZXTC-WWGRRREGSA-N	411.235	5.079	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)n1	511868073	NKTOSJWEBDZZEF-LBPRGKRZSA-N	404.278	5.436	30	20	HKED	
C[C@H](N[C@H]1c2cc(Br)ccc2SC[C@@H]1C)c1ccc(C#N)cc1F	512626297	SZUXBHFBWGBWMQ-SYTFOFBDSA-N	405.336	5.594	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)coc2c1	515676262	AEPYLEBKSSDRPZ-UHFFFAOYSA-N	409.445	5.046	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCC2CCCCC2)cc1)c1ccc(C(F)(F)F)cn1	517795600	HJWGAXVHNZUANK-LJQANCHMSA-N	402.416	5.550	30	20	HKED	
Cc1cc(CSc2ncccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)no1	518150559	GBVHMGNIRCXSAO-CQSZACIVSA-N	424.551	5.174	30	20	HKED	
CC(C)COC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	520052057	VYRBRFIMZQFMBC-UHFFFAOYSA-N	421.541	5.001	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12	520454784	MLBUCVSRIANOGW-UHFFFAOYSA-N	406.486	5.292	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(Br)c1	520940326	NTZUIDNEKHZZSS-AWEZNQCLSA-N	418.360	5.507	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl	520940365	PCHVRSFXVIFKBC-UONOGXRCSA-N	422.381	6.613	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCC3CC3)n2)cc1	523230829	SDULPAHVHYTDGH-IBGZPJMESA-N	404.491	5.098	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2c(F)cccc2F)cs1	523371983	PDPYENBFKOVKBW-HNNXBMFYSA-N	418.428	5.035	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(CCc3ccccc3)CC2)c1	523952307	XXZCZBZBVAUCRI-UHFFFAOYSA-N	414.505	5.215	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1F	525224343	GSCUFTBNFSBWOZ-UHFFFAOYSA-N	416.368	5.131	30	20	HKED	
Cc1cccc2c(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c[nH]c12	525455336	RDYKPFMXQDLAKD-JOCHJYFZSA-N	413.908	5.966	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1)OCC	535126609	XVBQPDBWTYFEPJ-HXUWFJFHSA-N	406.954	5.055	30	20	HKED	
Cc1cccc(C)c1OC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1	539325010	LEVZQZKIVZCMEB-QHCPKHFHSA-N	424.504	5.135	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1	539664869	RDDXHTFYTPSFJT-KRWDZBQOSA-N	401.535	5.507	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1	541074028	LSULOPPFQQBKIO-UHFFFAOYSA-N	419.472	5.217	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541158719	KBKXZIXQNJSCMA-QMHKHESXSA-N	413.525	5.173	30	20	HKED	
CC(C)Oc1c(F)cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1F	541276668	XWSVFZBEYOQWIT-UHFFFAOYSA-N	412.392	5.048	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c(Cl)c1	541598241	FPVLMACWAFCRJZ-UHFFFAOYSA-N	415.902	5.654	30	20	HKED	
N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cccc(C(F)F)c3Cl)C2)c(F)c1	541794564	LQFNJMXSDROJIT-ZDUSSCGKSA-N	422.838	5.079	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542987375	DXBWDILGIOMCKJ-SFHVURJKSA-N	424.504	5.235	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](c3ccccc3)C3(CO)CCC3)c2)c1	552085996	UMGDCILMPPMQLU-SANMLTNESA-N	412.533	5.131	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)C1	552142304	SPPKZTQOEIXVDU-HOSYDEDBSA-N	423.275	5.283	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2	553802085	YIRPYDWFBPVOLE-CYBMUJFWSA-N	421.488	5.149	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(OCC(F)(F)F)c1C	554430494	RQMHYCXZJVJVDP-UHFFFAOYSA-N	424.467	5.324	30	20	HKED	
C=CCn1c(SCc2c(Cl)cccc2OC)nnc1-c1ccccc1OC	555468753	DBKAYKYOMOWDQX-UHFFFAOYSA-N	401.919	5.094	30	20	HKED	
Cc1ccccc1[C@@H](C)N(Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)C	560267289	VUYZPNBHMPQNQC-OAQYLSRUSA-N	401.558	5.386	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c1	569367128	CYPMACAQUWOFMP-UHFFFAOYSA-N	408.795	5.285	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC=C(c4ccco4)C3)cc2F)c1	573872339	OBQMDFQXBGLRDO-UHFFFAOYSA-N	417.440	5.191	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)CCC1(F)F	574003485	ZEKGXNOQOFXYEN-SECBINFHSA-N	420.300	5.156	30	20	HKED	
C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1	581039303	BJSGREDIEVTVQL-NHCUHLMSSA-N	406.530	5.087	30	20	HKED	
C=CCn1c(SCc2nnc(C(C)C)o2)nc2cc(-c3ccccc3)sc2c1=O	588784935	SOSSROPDXVASAP-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cccnc2SCc2c(C)noc2C)c1	589382686	XPZJHJUSDYRGDK-UHFFFAOYSA-N	409.511	5.186	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)cc1	602126529	GKOHGINHIGFIMG-QGZVFWFLSA-N	414.461	5.207	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)Nc2sc(C)c(C)c2C#N)c1C(F)(F)F	603564450	JLQXDKOXIRQNDI-UHFFFAOYSA-N	404.417	5.002	30	20	HKED	
CCOc1ccccc1OCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603673262	ULLXTOJWONUURQ-FQEVSTJZSA-N	420.896	5.412	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)NC1(c2cccc(F)c2)CCOCC1	608273189	KTSOGDQUTOPXCR-UHFFFAOYSA-N	420.509	5.114	30	20	HKED	
CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	608784957	KLPNLHPCYPYYAQ-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
COc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	608785269	ITGUVLXAIDAGFC-FQEVSTJZSA-N	415.449	5.004	30	20	HKED	
COc1cc([C@@H](C)NC(=O)c2cc3ccccc3n2CC#N)ccc1OCCC(C)C	609165490	KGGMBRLIWQLEFP-GOSISDBHSA-N	419.525	5.089	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(OCc2ccccc2)cc1	609172082	OABRUIIZUWWFCB-OAQYLSRUSA-N	421.294	5.023	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)CSc1ncnc2scc(-c3ccccc3)c12	609191364	HSGJGRRODXPCMS-UHFFFAOYSA-N	424.595	5.239	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl	609428121	AKGSZQZAYJPSSE-KBPBESRZSA-N	407.366	6.205	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccco3)C2)cc1Cl	609553629	FEZXFWCGQZNFFO-FXAWDEMLSA-N	405.885	5.610	30	20	HKED	
Cc1cc(Br)cc(C)c1CNCc1cn(CCC#N)nc1-c1ccccc1	609598721	WHWCHXQCGXQZKO-UHFFFAOYSA-N	423.358	5.133	30	20	HKED	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609644143	KERYTCBOMUXNFM-MRXNPFEDSA-N	404.432	5.186	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(CCc3cccc(F)c3)C3CC3)c2)cc1	609648060	JVPRCFJCUMSKTP-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1NC(=O)Nc1ccccc1	610154272	OGSNJKHPHJLURF-UHFFFAOYSA-N	404.857	5.416	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(C#N)c1	610320957	WUOPJWUXSLKABT-AOMKIAJQSA-N	414.896	5.750	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1cccc(C#N)c1	610364451	SYBCRLWUMYFZLV-MRXNPFEDSA-N	412.518	5.218	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	611109600	WIJDHUJUEOHOMC-MZYLBHOOSA-N	417.509	5.128	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc2ccccc2n1	613290512	DXALWQLGMXPQSZ-HNNXBMFYSA-N	411.511	6.063	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1	615695291	GLAJSKJIGKCRAZ-XMMPIXPASA-N	404.485	5.322	30	20	HKED	
FC(F)(F)c1cnc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)c1	618438399	ZGGUQIDVEVNTTR-OCAPTIKFSA-N	400.672	5.321	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1F	677780543	KXUOYCCGNCPKHB-OCAPTIKFSA-N	424.719	5.521	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1)C(F)(F)F	683689673	HOVDBKLLRQBTFC-AWEZNQCLSA-N	406.404	5.765	30	20	HKED	
C=CCOc1ccc(/C=C(/Cl)c2nc(O)c3ccc(Cl)cc3n2)cc1Cl	727264720	VTNKYQALFGEJJW-OQLLNIDSSA-N	407.684	5.944	30	20	HKED	
C#CC[C@H](OC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccn1	727775175	APJKLHYPPOIPEL-SFHVURJKSA-N	416.424	5.074	30	20	HKED	
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728062574	PAKONGVHNXPHDZ-PMACEKPBSA-N	413.521	5.124	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nnc(-c2ccccc2)o1	728299301	QLPLNVYSKJNDQL-INIZCTEOSA-N	414.440	5.499	30	20	HKED	
CC(C)n1ncc2cc(/C=C3/Cc4c(ccc(Cl)c4Cl)C3=O)c(Cl)nc21	729151292	QHLMJLGZAKYSSF-YHYXMXQVSA-N	406.700	5.795	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	730921067	UYNQRGPBJZGQAQ-QRVBRYPASA-N	406.844	5.083	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1	733775515	YHUIOIXSJCRRGT-HXUWFJFHSA-N	404.441	5.229	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	734080938	ATUIVPOPDMIAJP-WRKUDEPPSA-N	403.507	5.272	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccc(-c2ccc(F)cc2C)o1	734415172	UVQIHYFEDGXYQJ-JOCHJYFZSA-N	424.472	5.052	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)[nH]c12	735790591	NSQYEXPNHCYFPR-OAQYLSRUSA-N	407.473	5.378	30	20	HKED	
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	735820890	LKVHYMGGXSVNLR-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
CC(=NNc1cccc(C(F)(F)F)n1)c1sc(-c2ccc(Cl)cc2)nc1C	739421041	BXDIPVIZLVQMCA-UHFFFAOYSA-N	410.852	6.022	30	20	HKED	
C/C(=C/C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1	739668626	GYDGRNPLFGZODW-OWBHPGMISA-N	424.426	5.422	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)c1	742989853	JHHNJKSMMHMUIG-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(CC(F)(F)F)c3)c2)s1	743221683	CRKOXEOYWHNSTJ-UHFFFAOYSA-N	415.440	5.713	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2cccc(O[C@H](C#N)CC)c2)o1	745820888	MHXCUVJERBKSAG-XJABCFGWSA-N	409.530	5.206	30	20	HKED	
COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)ccc1OC(F)F	747116073	GTISKJWVJDWFFQ-MDZDMXLPSA-N	416.399	5.134	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(Cl)nc2)cc1	750700883	AROWEHDTEFOABH-UHFFFAOYSA-N	422.872	5.071	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3NCc3cccnc3)c2)s1	751392573	OAORJEFXFHCNFS-UHFFFAOYSA-N	424.529	5.224	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C3CCOCC3)CC2)cc1	752190391	URXKAKRUDKYWQN-XMMPIXPASA-N	403.526	5.013	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccccc2SCC=C(C)C)cc1C#N	752203954	KFJOQRYLLGLWPN-UHFFFAOYSA-N	409.511	5.437	30	20	HKED	
C[C@H](Cc1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	754530270	DYEOENQXCSIUFW-BXUZGUMPSA-N	409.700	5.173	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)nc2)cs1)c1ccc(F)cc1F	759084267	ZORCOOPHRNVULN-GQCTYLIASA-N	419.840	5.050	30	20	HKED	
N#CC(CCOC(=O)c1cnc([C@H]2CCCO2)s1)(c1ccccc1)c1ccccc1	760669539	IQXNIRYOMFSKHS-HXUWFJFHSA-N	418.518	5.051	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCc2ccc(Cl)nc2)c1	760683579	JZONRIKASUSMGW-UHFFFAOYSA-N	412.276	5.025	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3ccc(F)cc3OCC#N)cc2)cs1	760786862	ZFDQOERLEXJDPZ-UHFFFAOYSA-N	413.499	5.038	30	20	HKED	
COc1ccc(-c2nc(/C=C/C(=O)c3cc(Br)ncc3F)cs2)cc1	762428145	WCIVFJNEESGCKF-QPJJXVBHSA-N	419.275	5.011	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc(OCC#N)cc1	766332253	ZDXROPVOPMXHTJ-HNNXBMFYSA-N	423.875	5.807	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnc(Cl)c(Br)c1	767911393	GAPGCZCKZQRKLC-UHFFFAOYSA-N	421.726	5.059	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(F)cc2C(F)(F)F)cc1	771858808	LRBOSPSRBXSPFQ-WEVVVXLNSA-N	404.363	5.053	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NCc2cc(Cl)ccc2OCC#N)cc1	775456969	DRYQRLJGKKJYGB-KRWDZBQOSA-N	406.913	5.769	30	20	HKED	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	775984495	JLLBGHJEIVYNTF-CCDWMCETSA-N	411.505	5.418	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)c1	778295730	SGYLBVDWZHRRFS-NRFANRHFSA-N	420.852	5.102	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	780149413	IJJZOUAGLOPJRM-MRXNPFEDSA-N	422.937	6.175	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccnc(Oc2ccccc2Cl)c1	780582215	HYKBKTHKXQLWSH-AWEZNQCLSA-N	408.845	5.462	30	20	HKED	
Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1sccc1Cl	782184667	KWWUMLCKGXJJMT-UHFFFAOYSA-N	419.746	5.050	30	20	HKED	
COc1ccc(OC)c(NC(=S)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782206863	YQFVDKKRJUBFMP-INIZCTEOSA-N	417.534	5.290	30	20	HKED	
COc1cc(C=NOCc2cncc(OCc3ccccc3)c2)ccc1OC(C)C	783007621	WVZALIKAJQDLEO-UHFFFAOYSA-N	406.482	5.007	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C/c1csc(-c3ccc(C(F)(F)F)cc3)n1)C2=O	788356796	PBKHDHNOWHTVSP-NVNXTCNLSA-N	411.408	5.308	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCO2	796760632	DHYFJGAAOMRLLD-INIZCTEOSA-N	424.909	5.346	30	20	HKED	
N#CC1(COC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)CCOCC1	796824824	VXYPASPILLEOIH-UHFFFAOYSA-N	420.292	5.050	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCc2ccc(Br)s2)s1	797566989	WXDZPXCMYDYICX-LBPRGKRZSA-N	411.390	5.464	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	799215418	NBFVVNXJEJGNDM-YADARESESA-N	422.598	5.115	30	20	HKED	
C[C@H](C#N)OCCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1	801652036	IPZSFMCFROQYMN-GOSISDBHSA-N	420.582	5.312	30	20	HKED	
COc1ccc(/C=C\C(=O)c2csc(-c3ccccc3F)n2)cc1OCCCC#N	812245630	WDKJFJGLOTUSAJ-NTMALXAHSA-N	422.481	5.536	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	814634010	QNFHPCUPALSEHM-HXUWFJFHSA-N	408.502	5.590	30	20	HKED	
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N(O)Cc1cccc2ccccc12	901370001	NZBBWFOXVJAQAZ-UHFFFAOYSA-N	421.884	5.284	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1nc2cc(F)c(F)cc2[nH]1	914560312	XXYITOGKRZFZSL-UHFFFAOYSA-N	414.847	5.250	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(Br)s3)cc2c1C	914773286	BPNYAVLIXGHRBN-HWKANZROSA-N	422.325	5.111	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1	915086292	ITMTVQVPFAEDHF-LJQANCHMSA-N	411.288	5.666	30	20	HKED	
O=C(/C=C\c1cc(Br)c(O)c(Br)c1)c1ccc(F)cc1F	916127600	QIVQQLWMAVZGKT-RJRFIUFISA-N	418.031	5.092	30	20	HKED	
C=CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C(C)C	916706601	AUMVYGUXKNTJJJ-UHFFFAOYSA-N	405.420	5.386	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916931375	JVMPPWLYVCYWAU-HNNXBMFYSA-N	407.322	5.455	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2c1O[C@H](C)C2	916977038	HMBVMLOOPBJNEN-SJKOYZFVSA-N	424.909	5.286	30	20	HKED	
C=CCN(Cc1ccccc1F)Cn1nc(-c2cccs2)n(C2CC2)c1=S	918180678	CKAIZJCZWAOILD-UHFFFAOYSA-N	400.548	5.262	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	920105879	HKFXSWYUFYFROZ-NRFANRHFSA-N	413.452	5.228	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C\C(=O)c3cccc(N4CCOC4=O)c3)ccc21	920749790	QJPAWIOJSRJWKX-QBFSEMIESA-N	410.473	5.667	30	20	HKED	
C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(C3SCCCS3)cc2)c1C	921179566	VPLMCDBTACFHBS-UHFFFAOYSA-N	415.580	5.199	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1	1785966950	QCCAHULBHUVEPW-UHFFFAOYSA-N	421.541	5.292	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC3(F)F)CCC2)cc1	1789628755	ZWGGDSSJQDNVMZ-NRFANRHFSA-N	404.501	5.158	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)C1	1823703020	KYVDZDNFMIMXLB-SSPYTLHUSA-N	414.634	5.179	30	20	HKED	
N#CCCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1	5535641	UMSWXYKXRRTWKX-UHFFFAOYSA-N	403.338	5.696	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccccc1F	11169702	BHWHXLWCMZGCJF-UHFFFAOYSA-O	407.534	5.343	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	16749291	SGSYPALQVIMZDF-CYBMUJFWSA-N	424.551	5.058	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2C)cc1	32290610	RXTGTFUQNQUCRI-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	51285699	HJIYYKDDTFIJTF-AWEZNQCLSA-N	419.337	5.558	30	20	HKED	
CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(Br)cc1	55570386	MZDPRRIIKGELDA-UHFFFAOYSA-N	401.304	5.048	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1	56652340	HMNGVUPDDQONRG-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCSc3ccccc32)cc1	60672635	HGGWRXCFJSREHX-NRFANRHFSA-N	416.571	5.817	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c12	66037429	SOXWHDFQZZWLLN-UHFFFAOYSA-N	410.433	5.325	30	20	HKED	
Cc1ccc(-n2ncc(N[C@H](CCC#N)c3ccccc3)c(Cl)c2=O)cc1Cl	301812661	YRTUJCOEVUIKRE-GOSISDBHSA-N	413.308	5.305	30	20	HKED	
CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccccc1-c1ccccc1C#N	303095391	FLYLABQHXIEHAY-UHFFFAOYSA-N	421.500	5.585	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(NC(=O)c2ccccc2)c1	426146985	BOESTJDNPWGDEC-HNNXBMFYSA-N	418.884	5.347	30	20	HKED	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCC(=O)Nc1ccccc1C#N	432484133	SRCOPZKFDSHLMU-UHFFFAOYSA-N	418.324	5.023	30	20	HKED	
CSC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	432682898	VLOYMTXREWKNBD-UZLBHIALSA-N	413.974	5.602	30	20	HKED	
Cc1cnc(C2CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC2)s1	433394870	NXHFEJOFHDSGFH-UHFFFAOYSA-N	416.550	5.079	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1	436354677	WIYKYNKHIVVVSN-IEBWSBKVSA-N	413.502	5.468	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CSCc3cscn3)cc2Cl)cc1	437142126	AFMHGXIFDXTOOE-UHFFFAOYSA-N	415.927	5.332	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCc2cscn2)cc1Cl	437278136	ZGKYZLPXLOFALH-SFHVURJKSA-N	413.955	5.324	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1	439312422	DZIMAWSTJJDCAB-HNNXBMFYSA-N	411.811	5.448	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cs1	443886337	SNPNUTVMPYJXGB-UHFFFAOYSA-N	417.412	5.173	30	20	HKED	
COc1cc(CNC(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N	462471218	FPXMOZSLDJDEON-AWEZNQCLSA-N	417.431	5.021	30	20	HKED	
CCOc1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C(F)(F)F)c1	463541511	HEFITVSLAPALPM-UHFFFAOYSA-N	413.264	5.653	30	20	HKED	
Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	463713911	UFGXCSWVKZRPLI-OAHLLOKOSA-N	422.579	5.384	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccs2)c1)c1cc(C(F)(F)F)ccn1	464408400	IJWGZDLSYKTRGM-KRWDZBQOSA-N	402.397	5.231	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1ccc(Br)s1	464933152	FWVZQVVIURUSED-ROUUACIJSA-N	417.372	5.132	30	20	HKED	
COc1cccc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)c1	466048928	KHWSZESVLMKRTB-QFIPXVFZSA-N	405.885	5.326	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccc(F)cc3)c3ccccn3)ccc21	469262442	TWNFMQAMTIWHLC-VWLOTQADSA-N	414.484	5.005	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3ncc(Cl)s3)s2)c(C(F)(F)F)c1	471482884	FOPZCPWORNLONP-UHFFFAOYSA-N	414.865	5.346	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c3c(C)noc3n2)c(C)o1	474436735	VVFVYYAHWQTBRX-INIZCTEOSA-N	420.494	5.478	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1	477701451	YCGQORHQPXZTAY-UHFFFAOYSA-N	419.453	5.697	30	20	HKED	
Cc1ccc2c(N3C[C@H](C)C[C@@H]3c3cccnc3)c(C#N)cnc2c1Br	480113249	BWNQTOBUMOVRFW-FZKQIMNGSA-N	407.315	5.160	30	20	HKED	
C=C(C)[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)c(F)c1	481619459	GNIZQLVCMXXRAZ-QGZVFWFLSA-N	419.686	5.771	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)C(=O)c2ccc(C(C)C)cc2)nnc1-c1ccncc1	489428886	CYDDDFIURACMKB-QGZVFWFLSA-N	406.555	5.403	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)on3)CC2)cc1	489546084	WKVLFUPVFRXVAX-UHFFFAOYSA-N	404.857	5.188	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C	496224435	SWRNUZZPVHHPOC-QFIPXVFZSA-N	410.514	5.312	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)oc2ccc(Cl)cc12	499433653	XJQNTPQWLLYQHX-HNNXBMFYSA-N	403.663	5.152	30	20	HKED	
CCCN(C(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccccc1Br	500242695	ACGGKJGTAZTJJE-OAHLLOKOSA-N	400.320	5.004	30	20	HKED	
C=CCN(C(=O)c1c(CC)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	502956723	LVZNBZBBWPJUFF-UHFFFAOYSA-N	422.337	5.809	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc(-c2ccc(C3(C#N)CC3)cc2)n1	508663685	HGZNDXWKJRJDKP-HXUWFJFHSA-N	407.901	5.504	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1	510506239	OEGUYRHJNFYARG-GOSISDBHSA-N	415.493	5.386	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cc1	512464871	ZMVBCQCETOUREJ-UHFFFAOYSA-N	414.383	5.416	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	512533083	ZJMWREXIAXRBFC-NRFANRHFSA-N	401.470	5.060	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	512763140	YXRFWEPIQKFPKH-UHFFFAOYSA-N	420.472	5.292	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	513218579	KISNWGXHVGXMIS-UHFFFAOYSA-N	411.383	5.122	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1OCC	515588026	NYEDNBVUOOGFFA-UHFFFAOYSA-N	403.910	5.208	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Sc1ccccc1Cl	515650705	LDYDFJWYCYFPFN-OAHLLOKOSA-N	423.925	5.827	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)c(Cl)c1	518136677	SPAMVFYZRJDDCI-UONOGXRCSA-N	422.978	6.306	30	20	HKED	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1SC[C@H](C)C#N	522596967	PGBDBUHVSGOLME-CRAIPNDOSA-N	401.963	5.735	30	20	HKED	
COc1cc2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[nH]c2cc1OC	522818520	BCVDMKXMQVUUIZ-UHFFFAOYSA-N	413.433	5.101	30	20	HKED	
COc1ccc(OC)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	523879619	VVXRJMAAWGOKCB-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCCCc2ccc(Br)cc2F)cc1	523913961	KAKWDVDGCWIZHR-UHFFFAOYSA-N	418.310	5.144	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCC#Cc3ccccc3)s2)cc1	524150167	URGZCFDGDQVEDD-LJQANCHMSA-N	403.551	5.181	30	20	HKED	
C=CCOc1cccc(CN[C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)c1	524687775	AUAKQRNUXKHPCS-NRFANRHFSA-N	406.551	5.551	30	20	HKED	
C=CCN(C(=O)c1cc(C)nc2ccc(OC)cc12)c1nc(-c2ccccc2)cs1	525006441	RKUAPIYOVYFDCK-UHFFFAOYSA-N	415.518	5.508	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1	530908746	IMPRARFBVNKCGO-UHFFFAOYSA-N	415.346	5.085	30	20	HKED	
N#CCc1ccnc(NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)c1	531674990	SQWUJKMZWBMPHB-HXUWFJFHSA-N	412.276	5.213	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](c1ccccn1)c1ccccc1OC)c1ccccc1	534058998	KSVSCIXUMVSBDE-ZJSXRUAMSA-N	401.510	5.186	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)CNc1ccc(Oc2ccccc2C#N)c(F)c1	534506559	YASWBOPQBRVMDS-UHFFFAOYSA-N	409.848	5.502	30	20	HKED	
CCN(C(=O)c1cc(Br)cc2cccnc12)[C@@H](C)c1ccc(C#N)cc1	536160714	MPGRWWRYOZNRIY-AWEZNQCLSA-N	408.299	5.092	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1c(F)cccc1Cl	537174434	LYMPSEDNIOUOIV-UONOGXRCSA-N	405.926	5.020	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ncc(-c2ccccc2)o1	540264958	GVEMNSYSIXFNJO-SFHVURJKSA-N	422.488	5.441	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C	542007109	OLFSYAQBRVHJMZ-UHFFFAOYSA-N	415.371	5.192	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(C2CC2)cs1	542225182	IFOXMXMUNWKLHE-CYBMUJFWSA-N	403.598	5.144	30	20	HKED	
COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC(C)C	545456042	JRTWVFLAVXTZSC-UHFFFAOYSA-N	418.518	5.758	30	20	HKED	
CC(C)c1ccc(C2(C(=O)N3CCC(C#N)(c4ccccn4)CC3)CCCC2)cc1	548841265	XSJBBCCYCQNZDJ-UHFFFAOYSA-N	401.554	5.101	30	20	HKED	
CC(C)c1ccc2occ(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2c1	553551543	WRBMCYVZHBWTIP-UHFFFAOYSA-N	406.457	5.251	30	20	HKED	
COc1ccc(CCCCCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1	557900556	JHTGVGNVJNVNOQ-FQEVSTJZSA-N	404.432	5.198	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1	576235970	PYAVLWJTAHARST-OAQYLSRUSA-N	411.288	5.567	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C(=O)c1ccc(Cl)cc1	589042669	CZYRUPKJUWELFB-UHFFFAOYSA-N	406.844	5.075	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)c2cc(O)cc(C#N)c2)nc1-c1ccccc1	589183739	LVLSDEXRGGZJBM-FQEVSTJZSA-N	401.466	5.020	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)cc2)ccn1	589362449	BYMGRQLOYQEYQG-DHIUTWEWSA-N	422.488	5.598	30	20	HKED	
Cc1nc(OCc2nc(-c3c(F)cccc3F)cs2)c(Br)cc1C#N	590587492	SEQJNXKBWDWQHN-UHFFFAOYSA-N	422.254	5.005	30	20	HKED	
COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1OC(F)F	603969355	NGWBTNJONPBMOU-UHFFFAOYSA-N	400.406	5.149	30	20	HKED	
CCOc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OCC	609125527	WPOHOZLBIPUXPW-UHFFFAOYSA-N	402.450	5.400	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)oc2c(F)cccc12	609171829	FHUIIXNBILAOBM-JOCHJYFZSA-N	414.436	5.454	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)COCc3nc4ccccc4s3)c2)cc1	609177013	YYZBHVAGNDPFIW-UHFFFAOYSA-N	415.474	5.116	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)c3ccco3)c2)cc1	609208598	WUELFMVAEQINIG-XMMPIXPASA-N	409.445	5.855	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc2ccccc21	609215795	XHHKDFKNSIWRIE-UHFFFAOYSA-N	408.486	5.694	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1SCCC#N)O[C@@H](C)C2	609375931	NHEZLPVKAKHKMM-IEZWGBDMSA-N	422.550	5.157	30	20	HKED	
Cc1nc2ccccc2nc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N	609387438	CWNACRIAHOPOSP-HNNXBMFYSA-N	422.579	5.062	30	20	HKED	
N#CC1CCN(C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1	609401391	LYCNBSQKNJQJDK-HXUWFJFHSA-N	420.315	5.361	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1ccccc1OC	609401894	IBKWPBCWBWXFCV-QZTJIDSGSA-N	411.571	5.952	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)oc12	609435306	FNRVICCRDHLKLG-HOTGVXAUSA-N	423.538	6.108	30	20	HKED	
Cc1ccccc1C1(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)CCOCC1	609435526	UTVKQALHMZMHRA-LJQANCHMSA-N	423.582	5.259	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc2ccccc2n1	609638790	HRLXHBDYSGNPOL-UHFFFAOYSA-N	408.461	5.529	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	609722672	SQFNLPFRPYSGIJ-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCO1	610204444	GVBMMQJVBALGLN-RUZDIDTESA-N	412.489	5.067	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)nc2ccccc21	613286925	MIOOJUIVRZTLDU-JTQLQIEISA-N	400.290	5.585	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccccc2)cc1	672649156	UNQBCXIWCGGZRQ-IBGZPJMESA-N	403.526	5.258	30	20	HKED	
CC(=O)c1sc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nc1-c1ccccc1	681631302	PTCCCVGSVQKPNQ-UHFFFAOYSA-N	416.289	5.443	30	20	HKED	
C=CCC[C@@H](C(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1)c1ccccc1	681709618	KSALPUUVJOEENZ-JOCHJYFZSA-N	423.553	5.168	30	20	HKED	
C(=NNc1ncnc2c1oc1ccccc12)c1c(-c2ccccc2)nc2sccn12	725845028	GUKICAPDANZGLM-UHFFFAOYSA-N	410.462	5.198	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3ccccc3)cc2F)c1	726500814	NTXLWLMLFHGRCS-UHFFFAOYSA-N	412.420	5.789	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCc1ccc(Cl)c(Cl)c1	726754357	DRHCWLWZTNEOQT-UHFFFAOYSA-N	412.320	5.452	30	20	HKED	
CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SC[C@H](C#N)CCC#N	726860808	VTTXCHBWWIRPIK-HNNXBMFYSA-N	417.376	5.504	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N(CCC#N)c3ccc(C)cc3)s2)cc1OC	726940352	GCWSCPDTAHQVSE-UHFFFAOYSA-N	421.522	5.005	30	20	HKED	
N#CCOc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1	727675078	OARZLMSFMULSNU-UHFFFAOYSA-N	417.317	5.554	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)cc1	729578883	ZVEMYEPUMIJZJY-MRXNPFEDSA-N	420.513	5.129	30	20	HKED	
CCN1C/C(=C/c2ccnc3ccccc23)C(=O)/C(=C\c2ccnc3ccccc23)C1	731835976	XQSMDFYINRWESY-BMJUYKDLSA-N	405.501	5.155	30	20	HKED	
CC(=NNc1nc(-c2ccc(Cl)cc2)no1)c1sc2nc(C)nc(C)c2c1C	732925534	NJPGWEFHDXJFAH-UHFFFAOYSA-N	412.906	5.156	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=S)Nc3ccccc3C#N)s2)cc1	733755539	UPWVJMRLRKIHQJ-CQSZACIVSA-N	408.552	5.046	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1)C1CC1	734305460	ABUARSQDCPXQNF-TWGQIWQCSA-N	412.511	5.422	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccncc1	734663446	MPLVWMZNZKDILT-XZOQPEGZSA-N	407.464	5.260	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccncc1	734669504	QLUBFCKIVOGHIZ-ZCYQVOJMSA-N	413.521	5.113	30	20	HKED	
COc1cc(COC(=O)c2nccc3ccccc23)ccc1OCc1cccc(C#N)c1	735137269	UUYGWCNRSAKKSP-UHFFFAOYSA-N	424.456	5.051	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	738749878	SLVIKHGOOQEGRM-SFHVURJKSA-N	413.477	5.103	30	20	HKED	
N#C[C@@H](C(=O)CC/C=C/c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	739154875	MLLBTTSFDKLKSK-PTHHNIJRSA-N	410.473	5.620	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(SC)cc3)n2)cc1	741113546	SUWJCOOXUGXFDS-AUUYWEPGSA-N	424.547	5.184	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1	742723407	KIXRRYGMWOMGMT-DEOSSOPVSA-N	407.920	5.708	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc1O	743055601	GPCHOHXYISYKMZ-XVNBXDOJSA-N	403.265	5.098	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(F)c(Br)c2)cc1	744033979	XDRPYMSLXBAJLV-WBMJQRKESA-N	417.278	5.063	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)NCc1ccc(Br)cc1	747649082	ACEYEQXZIFIOOW-ZDUSSCGKSA-N	420.401	5.187	30	20	HKED	
N#Cc1ccc(C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1	748257541	HBJUEHUBNCFQJV-UHFFFAOYSA-N	417.273	5.028	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)/C=C/c3cc(C)n(C4CCCCC4)c3C)nc12	750724112	MFHIIOIAXFQXMY-XTXLJPNXSA-N	401.514	5.080	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C/c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)c1C	750912135	CKVYMXUMSVVXLL-ZHACJKMWSA-N	403.313	5.217	30	20	HKED	
COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)C2	752486059	UWOAXXSPMSUJNW-ILBGXUMGSA-N	411.505	5.030	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1F	756970852	FZCLNGJJPGGQIC-UHFFFAOYSA-N	420.415	5.260	30	20	HKED	
C[C@@H](OC(=O)c1cccc(CC#N)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1	758001332	XPMATSCQLFOPPO-LLVKDONJSA-N	402.237	5.027	30	20	HKED	
C=CC[C@@H](c1ccncc1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	761265841	DFSURAKRGYYEAZ-OALUTQOASA-N	416.308	5.174	30	20	HKED	
N#CCOc1ccc(Cc2nc(C(F)(F)c3ccc(Cl)c(Cl)c3)no2)cc1	762410927	UGLDWEQWFGHASM-UHFFFAOYSA-N	410.207	5.010	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1cccc(C(F)(F)F)c1	766840612	KYELILXORFBKFJ-LJQANCHMSA-N	416.443	5.110	30	20	HKED	
C#CCCCCCC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	769398757	JQVOLMDSHWXJIL-QGZVFWFLSA-N	421.381	5.208	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1)c1ccccc1	772626328	QZWMXYJRSKKXAE-PKTZIBPZSA-N	404.510	5.232	30	20	HKED	
CSc1cccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2cc(F)ccc2F)c1	776163968	XDBVKYVQWILIBD-VOIUYBSRSA-N	424.516	6.029	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)c(C)c2)n1	780542491	ZGEOTYHSQVESCS-OAHLLOKOSA-N	424.551	5.846	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1	780666608	AGFZSIZEBFHFHN-OPAMFIHVSA-N	420.900	5.279	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccnc(Cl)c2)cc(Br)c1OC(F)F	782194077	MEPPAOLKFRBZSO-IHWYPQMZSA-N	418.621	5.004	30	20	HKED	
COC(=O)[C@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1c(F)cccc1Cl	784068677	UCXIAXJITPGGDX-PGRDOPGGSA-N	408.860	5.461	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1nc(-c2c(F)cccc2F)cs1	786377414	URFFYTPVPWRBLF-GMTAPVOTSA-N	420.893	5.783	30	20	HKED	
COc1ccccc1-c1ccc(C(C)=NNc2nnc(-c3ccccn3)s2)cc1	788031431	YXLVFGSNJATXMQ-UHFFFAOYSA-N	401.495	5.112	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccc(Nc4ccccc4)cc3)CC2)c(F)c1	795018995	FYEZEISAKQABIW-UHFFFAOYSA-N	414.484	5.296	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc3nc(C(F)F)sc3c2)cc1	795344116	SIGARMJNBFMIFM-AWEZNQCLSA-N	414.481	5.290	30	20	HKED	
N#CC1(CCCOC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CCOCC1	800109462	OIUIYWWOTNMUBA-GORDUTHDSA-N	401.812	5.016	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1	800519110	KRVSLUODIFOPLV-PFBJBMPXSA-N	419.528	6.194	30	20	HKED	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	802040096	GCVHVUTZICLQEH-IPMKNSEASA-N	414.477	5.015	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Cl)s1)C(=O)Nc1ccccc1Oc1ccccc1	802042869	LIFMNRPCWNWSCA-INIZCTEOSA-N	410.882	5.084	30	20	HKED	
O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N(O)Cc1ccc(F)cc1	901375739	LLEXTHAYKOMKTK-UHFFFAOYSA-N	406.388	5.318	30	20	HKED	
COc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1-c1ccccn1	901379384	WVHJXQMSXJSLOY-UHFFFAOYSA-N	403.265	5.096	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1	915353876	RECCRJXLFQWJHJ-IFMALSPDSA-N	417.509	5.840	30	20	HKED	
Cc1cccc(-c2nn(CN(CCC#N)CCC#N)c(=S)n2[C@@H]2CCCC[C@@H]2C)c1	915794561	UYRUHOFXENZMHS-PZJWPPBQSA-N	422.602	5.228	30	20	HKED	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)n2)c(C)c1	917846099	JESQXATUTPZEJW-UHFFFAOYSA-N	417.943	5.061	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(-c4ccccc4)o3)n2)cc1	920141527	JIUVAOUEGLUKMZ-NRFANRHFSA-N	423.497	5.751	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1	1785841960	HDHIITRSTMQWKB-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1	1790953713	ZFGPZHMXWHXFQX-NRFANRHFSA-N	422.550	5.135	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1	1792264067	ZLWUNFSRDWVUMQ-UHFFFAOYSA-N	408.548	5.124	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCc1ccccc1)Cc1cccnc1	54538290	NLMOABHXJFIAPI-UHFFFAOYSA-N	414.509	5.017	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	55428902	RRULUEMEKQPYJQ-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	63394383	NLJCMZSOGGMRSI-UHFFFAOYSA-N	422.488	5.751	30	20	HKED	
Cn1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc(Cl)c1Cl	108739503	DXKDTBUNYCXAGO-UHFFFAOYSA-N	416.283	5.185	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1	224948859	XURMRPZUXKCABJ-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
N#CCCCOc1cccc(NCc2nc(-c3cccc(Br)c3)c[nH]2)c1	236577932	QYHACPXPWSVOHF-UHFFFAOYSA-N	411.303	5.134	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H]2CCc3ccccc32)cc1	303137697	QNPWPVYQOLZAMG-JOCHJYFZSA-N	413.477	5.510	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	303343207	YZXBTYOAJCRXTA-OLZOCXBDSA-N	409.338	5.651	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1CCOc2ccccc21	303642476	BPJLRGZSZUITGU-HNNXBMFYSA-N	418.306	5.059	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1	429075297	DPAIYXIWBLPHGV-DNQXCXABSA-N	411.505	5.521	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1	431139855	OZFWCDWFIYJBIX-SFHVURJKSA-N	419.319	5.181	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1OC(C)C	431813443	WHZUUTFLEWLCRS-RXVVDRJESA-N	409.530	5.278	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SCC#N)Cc1ccc(Cl)c(Cl)c1	434782276	CQMMAPJZHGGTJW-UHFFFAOYSA-N	408.354	5.070	30	20	HKED	
CCSCC[C@H](C)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	437739869	AUJMHIPGPXSEIN-SFHVURJKSA-N	411.571	5.327	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1	437831690	CKRTWGPNIQSMET-GBXCKJPGSA-N	417.553	5.158	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1	438049929	CHGDJIGBXJYOSI-VNZMSGEBSA-N	408.542	5.046	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nccs1	438670999	MHEVUVFOXHGGHH-OAQYLSRUSA-N	410.474	5.393	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	438993294	JTDWPEZYGBHZIT-DEOSSOPVSA-N	409.489	5.096	30	20	HKED	
COc1cccc(C2(F)CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)c1	439447186	DVNDZJRJUDSWEP-UHFFFAOYSA-N	421.394	5.078	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2c2ccsc2)cnn1-c1cccc(C#N)c1	439700079	FTSBCCNBKKOHCX-FQEVSTJZSA-N	405.527	5.127	30	20	HKED	
Cc1ccc(-c2cc(C(=O)NCC3CCC(C#N)CC3)c3cnn(C(C)C)c3n2)s1	441145176	KYKIRPXGEDZFON-UHFFFAOYSA-N	421.570	5.109	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1	441612713	RUSGZHDEQQBYJI-IBGZPJMESA-N	419.447	5.236	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)n1	442599737	NPKCPNPLTDFUDV-GFCCVEGCSA-N	404.278	5.436	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(C(C)C)nn(C)c4s3)n2)cc1	442685295	UUETXQDBCCDKSW-INIZCTEOSA-N	420.563	5.680	30	20	HKED	
C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)CCCC1(C)C	444787669	YFXNTSLHFWRGCH-QFIPXVFZSA-N	411.615	6.011	30	20	HKED	
COc1c(F)ccc(F)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	445828597	VUTXZNPUGWNHRE-INIZCTEOSA-N	412.823	5.535	30	20	HKED	
Cn1ncc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C(F)(F)F	446374265	HTQWRHORAXDNLQ-UHFFFAOYSA-N	420.778	5.009	30	20	HKED	
Cc1oc2ccccc2c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	464451446	SWPXPURBMRBCOC-UHFFFAOYSA-N	410.473	5.568	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	464841429	WZRKWDRQVCTWAT-KPFFTGBYSA-N	411.571	5.394	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CCCC1	465269555	VYEJQARIKQFMOO-KRWDZBQOSA-N	411.546	6.054	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1	466609629	UKGKHVQMIXTDRX-JTQLQIEISA-N	424.835	5.837	30	20	HKED	
O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F	468535048	FPQCFGZDWXUPQJ-NEPJUHHUSA-N	407.276	5.152	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccccc3Oc3cc(F)cc(F)c3)o2)cc1	471665298	YHLWSRAVDXDXGZ-UHFFFAOYSA-N	404.376	5.291	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ncoc3-c3ccc(F)cc3)cc2)c1	471777849	BLIUVPISRGHDIX-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)n1	474445382	MDQVFWVYAZRIPU-MRXNPFEDSA-N	408.527	5.395	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C[C@H](CC#N)c1ccccc1)C1CC1	475122932	XLFPEPONFABWNH-APWZRJJASA-N	400.444	5.845	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1	476055549	MGHBMEHQLWKGRS-GOSISDBHSA-N	417.896	5.618	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	480583531	RRHBUOKESAAUTM-UHFFFAOYSA-N	419.978	5.915	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1C	480826268	HFGIRPHFONSZCK-HNNXBMFYSA-N	419.978	5.458	30	20	HKED	
C[C@H](Sc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccc(C#N)cc1	481369907	KIPGSGFURPTWRY-KRWDZBQOSA-N	416.506	5.223	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nccc2ccccc12	483193851	GIUXBYOZGWNDJE-FQEVSTJZSA-N	420.497	5.639	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(F)c(F)c1	483297408	OOANBTSYBRJNHF-AZUAARDMSA-N	413.493	5.738	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1ccccc1Cl	483338597	INUZKTUHJPWKOL-CABCVRRESA-N	403.935	5.181	30	20	HKED	
COc1cccc2[nH]cc(CC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c12	487116948	OAYLQUHTJDPHLY-UHFFFAOYSA-N	415.424	5.161	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3coc(-c4ccc(F)cc4)n3)o2)cc1	489777519	FOLKVKGALRKVKW-UHFFFAOYSA-N	409.442	5.388	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc2ccccc2s1	492260748	SYCWISRMGGWIHB-GFCCVEGCSA-N	422.922	5.381	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	496707976	PORIDHCCBVSOMJ-UHFFFAOYSA-N	416.399	5.357	30	20	HKED	
N#CC1(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CCCCC1	499217565	VLONIQHNGINGHF-UHFFFAOYSA-N	407.367	5.444	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCOc2cc(O)ccc2C1)c1ccc(C(F)(F)F)cc1	500102863	PKVBILKIQBJSHY-LJQANCHMSA-N	420.431	5.023	30	20	HKED	
C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	500277232	LVWVNOIGKXTBRC-CQSZACIVSA-N	423.410	5.033	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)cnc1C(F)(F)F	501656692	RWQMQBSODWOELM-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
CC1(C#N)CCN(C(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1	504410142	CSJGBFPHNZJWKG-UHFFFAOYSA-N	418.324	5.621	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	505911689	DYGLYGBWXQCILB-GOSISDBHSA-N	401.413	5.132	30	20	HKED	
CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl	510968786	IIXYFQMLRWNYSC-UHFFFAOYSA-N	418.324	5.045	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)cc1	511005168	ZLANWEKBKBDFNN-FQEVSTJZSA-N	405.542	5.343	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC1CC(C(F)(F)F)C1	513338593	ATXHCGMMNOGNNS-UHFFFAOYSA-N	422.291	5.207	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2cccc(OC)c2)cc1OCC	513638690	UPSXTAQKQJXKJJ-OAHLLOKOSA-N	420.347	5.272	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2ccccc2o1	515597572	PBVRXMIBCKUMAJ-CYBMUJFWSA-N	421.865	5.285	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1cccs1)N(C)C	517684597	OXQZUUOCNQBWSD-OAQYLSRUSA-N	420.538	5.145	30	20	HKED	
C[C@@H](NC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1Cl	517924317	WYIQWZHRPWLZDH-MRXNPFEDSA-N	405.885	5.293	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Br	518739185	SDKBNZSRAOGJQZ-LBPRGKRZSA-N	405.317	5.104	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Cc2cccc(F)c2)CC1	518753096	GYTFIBQZLXGIJN-QGZVFWFLSA-N	411.546	5.707	30	20	HKED	
Cc1ccccc1Nc1nc2sc(C(=O)N(C)c3cccc(C#N)c3)cc2s1	520370557	BEEBQBGEBLACFH-UHFFFAOYSA-N	404.520	5.558	30	20	HKED	
N#Cc1ccc(CNC(c2ccc(F)cc2)c2ccc(F)cc2)c(OC(F)F)c1	530994876	FDGRJTXJPHSUGL-UHFFFAOYSA-N	400.375	5.317	30	20	HKED	
CCN(C(C)=O)c1nc(CN(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cs1	533064647	CXHCTZBMAREAKU-UHFFFAOYSA-N	422.529	5.042	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(F)cc1OCC(F)F	538049226	WOAZWZOZGKACRV-GFCCVEGCSA-N	409.433	5.508	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1C1CCOCC1)c1ccc(C(F)(F)F)cc1	538665458	GMWXPFRRTNJYKW-WOJBJXKFSA-N	410.480	5.313	30	20	HKED	
CSc1cccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C	539301995	VPKWYAAGLKAOEC-UHFFFAOYSA-N	416.506	5.485	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(C#N)s1	539525643	COMZCFPRBLLWIR-LLVKDONJSA-N	418.385	5.665	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)C1CCC(F)(F)CC1	542037537	HLJYVWQAGUKYSS-GFCCVEGCSA-N	405.285	5.130	30	20	HKED	
Cc1[nH]ccc1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	544028077	BXSDZGHUSLJAIG-GFCCVEGCSA-N	418.259	5.394	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c1	544073013	MZKMTDTXKNPLNA-UHFFFAOYSA-N	415.371	5.295	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)c1ccncn1	544814821	JZDPUBOMSBAWQA-MRXNPFEDSA-N	414.317	5.566	30	20	HKED	
CC[C@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1Cc1ccccc1	546834615	XMKXUDCPXSJRSB-CTNGQTDRSA-N	422.598	5.209	30	20	HKED	
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(OC2CCC(C)CC2)CC1	549262299	LLWCNZFUBBTWNW-UHFFFAOYSA-N	414.619	5.071	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC2CCCC2)CC1	549320120	JMESCZBTEHTPLA-UHFFFAOYSA-N	400.954	5.103	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	552271507	JPZWYUQLIHQJIZ-VQTJNVASSA-N	400.444	5.499	30	20	HKED	
Cc1ccc(OCCC(=O)Nc2ccccc2SCCC#N)c(Br)c1	552998495	FVVYAIBIDXGWHI-UHFFFAOYSA-N	419.344	5.171	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)CC1	558619671	HQFIFCRYRGVHIP-UHFFFAOYSA-N	418.447	5.116	30	20	HKED	
CCc1nc2ccccc2n1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	558713673	DMLLMPXUOQIOFE-UHFFFAOYSA-N	410.477	5.210	30	20	HKED	
CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	560078141	NICFLJJYSUHFAU-HSZRJFAPSA-N	405.448	5.182	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Br)ccc1C	562101668	PJPWTPJJIOYAFK-UHFFFAOYSA-N	405.340	5.145	30	20	HKED	
CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	565741785	FDQUHUIHJHTOJA-BGYRXZFFSA-N	416.443	5.330	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC(F)(c4ccccc4)CC3)cc2)ccn1	566039597	YTWDJGZKFWWVJK-UHFFFAOYSA-N	416.456	5.238	30	20	HKED	
COc1ccc(-c2csc(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)cc1	568374200	DPAIGGSKTYPAES-UHFFFAOYSA-N	408.498	5.028	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)NC1(c2cccc(C#N)c2)CC1	569220790	DZWVHYLDKUEMGY-UHFFFAOYSA-N	416.344	5.244	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1c1cccs1	584378953	FXCUASCZLSJAMA-MRXNPFEDSA-N	400.935	5.196	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c3ccccc3)cc2)cs1	589845998	SNVQWQPUPXWXQJ-QZTJIDSGSA-N	418.566	5.105	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc(OC)c1OC	590077752	ROAFUVSQNXFPIX-UHFFFAOYSA-N	421.497	5.026	30	20	HKED	
N#Cc1c(NC(=O)c2cnc3ccccc3c2C(F)(F)F)sc2c1CCCC2	591888848	AJUAOSRZMYBLHX-UHFFFAOYSA-N	401.413	5.318	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)C3(c4cccc(Br)c4)CC3)n2)cc1	603463921	LBEIHWUYXMRWLF-UHFFFAOYSA-N	424.323	5.115	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)ccc1OCC(F)(F)F	603667558	RIGPBIWGIQNZNJ-UHFFFAOYSA-N	407.150	5.198	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1S[C@@H](C#N)Cc1ccccc1	604070731	YLGYITAMUOZJBW-OAQYLSRUSA-N	406.555	5.130	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc3c2OCCO3)cc1Cl	604469427	XQCHRXSJYGDIFH-LJQANCHMSA-N	404.853	5.019	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(F)cc1Br	606771199	SNADIJRDRIRJNE-UHFFFAOYSA-N	418.184	5.424	30	20	HKED	
CSCCc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	609018043	NKAKFRVOUMIBPH-UHFFFAOYSA-N	418.566	5.238	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc2ccccc2c1	609062003	QQHVHWSBYLSCGZ-UHFFFAOYSA-N	422.484	5.616	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1cccn1C	609078801	OTKCYXXNIUOPJO-DEOSSOPVSA-N	414.509	5.153	30	20	HKED	
CN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609079752	HRIARJAVTRPXAY-UHFFFAOYSA-N	411.914	5.516	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)cn2)c1	609163690	NWWWEZHFPDHIFZ-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3cccc(OC(F)F)c3)cc2)cc1	609502511	AXFHEKCPRAAWGS-UHFFFAOYSA-N	408.404	5.076	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1	609742606	IPOUIFJZVFZLTH-JOCHJYFZSA-N	418.880	5.687	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)C1(C#N)CCCC1	610052097	LTFHMOCSUDBZCT-ZDUSSCGKSA-N	418.360	5.142	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)c1cccc(C#N)c1	610326621	IITUGWPSOJMTGU-LLVKDONJSA-N	413.852	5.749	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	610929953	YMYLWNWHQBLKQV-SNVBAGLBSA-N	424.398	5.244	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1	611205454	NFMFPJDWXQGZNU-UHFFFAOYSA-N	411.483	5.152	30	20	HKED	
Cc1ccc(-c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)c(Br)c1	615133267	VNOMQVBMHGYAJE-SFHVURJKSA-N	409.287	5.021	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c3c(cccc13)CC2)c1nc(-c2c(F)cccc2F)cs1	620304531	JPPBKJWIHDQSPK-QGZVFWFLSA-N	416.452	5.830	30	20	HKED	
CC1(C)CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F	622553009	HFTXHXZMTZTQCX-LBPRGKRZSA-N	421.303	5.775	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)c1Br	682990031	QGOXOWUCSWVCHM-ZDUSSCGKSA-N	418.241	5.301	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2)c2ccc(Cl)cc2)cc1Cl	726468386	CYGIENLJZOANAE-UHFFFAOYSA-N	412.345	6.269	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1	726940157	LFPJICURHSIHQF-UHFFFAOYSA-N	416.333	5.986	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)c(Cl)nc1Cl	727746814	VMVDZFGDIKCTSC-UHFFFAOYSA-N	421.099	5.817	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)c2ccc(OC)cc2)cc1	728713165	QCNWJYAZTZLGMX-NIYFSFCBSA-N	416.521	5.068	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3sccc3SC(F)F)cn2)cc1	730478731	SZZKWRGYFYDFFR-UHFFFAOYSA-N	403.435	5.374	30	20	HKED	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	731400241	MIHMPKOZFONRDW-GOSISDBHSA-N	410.587	5.591	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3cc(Cl)cc4cccnc34)cc2)nc1	732399660	TUHXZKWVCBFWMF-UHFFFAOYSA-N	415.836	5.304	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	733845857	ZYMBJECGRROJNV-SJLPKXTDSA-N	408.527	5.084	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc1	742040124	CQBZBWHFPOZBMN-YPKPFQOOSA-N	403.404	5.055	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1	742633994	JLDQVNCHNFOLBH-UHFFFAOYSA-N	411.436	5.191	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@](C)(CCC)C2)c1=S	743405235	FLQZNZDWWSWBRQ-JOCHJYFZSA-N	400.592	5.135	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccccc1C(F)(F)F	744016502	NSZMJZGQSHFUNF-SUMWQHHRSA-N	412.411	5.581	30	20	HKED	
C[C@@]1(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCc2ccccc2C1	744038446	VBMPEUKXHBDPER-IIBYNOLFSA-N	414.452	5.687	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccco1	750691934	VEZJWCONNMLOBG-XZOQPEGZSA-N	417.509	5.470	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2csc3ccccc23)cc1C#N	752309088	XQRYNVVJVWBFKW-ZDUSSCGKSA-N	408.483	5.224	30	20	HKED	
Cc1sc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1-c1ccc(F)cc1	755407813	RVOXKJKNSREMOU-UHFFFAOYSA-N	419.525	5.133	30	20	HKED	
N#C[C@H](C(=O)Cc1cc(Br)ccc1F)c1nc2cc(Cl)ccc2s1	763274589	SSTYYPJDVPGDBL-GFCCVEGCSA-N	423.694	5.270	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CC2	763945967	VXTRVAYTYUALBL-GDBMZVCRSA-N	416.424	5.230	30	20	HKED	
Cc1sc(-c2ccco2)nc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764752733	UJWVLGFTMKVAMO-UHFFFAOYSA-N	423.281	5.039	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(Cl)nc(Cl)c1	768401511	HEOPNPWEHQFAAJ-UHFFFAOYSA-N	421.353	5.346	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccccc4F)sc32)c1	772983489	KMPCCMFBPRVTLR-DYESRHJHSA-N	421.541	5.797	30	20	HKED	
COc1cccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2cc(F)ccc2OC)c1	776163157	PTMWYNLDBHDUNZ-CRICUBBOSA-N	420.484	5.185	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2coc(-c3ccccc3Cl)n2)cc1	776517409	RAIQIBZRMPXYRC-KBXCAEBGSA-N	421.884	5.470	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)C(=O)c1ccc(Cl)cc1	777303470	APCQORFHTFIASC-SWLSCSKDSA-N	415.827	5.170	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[C@](C)(O)c1ccccc1	779409857	BVWCGPAQSIQHRO-VWLOTQADSA-N	415.493	5.078	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1	780166860	MSFKKSURFFUWNO-CQSZACIVSA-N	410.832	5.815	30	20	HKED	
O=C(/C=C/c1cc(-n2ccnc2)cs1)c1ccc(OC(F)F)cc1OC(F)F	783698349	ZUZZBQINNISSCA-DUXPYHPUSA-N	412.364	5.033	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1Br	791767867	WFUBJOCMWASFCB-MRXNPFEDSA-N	409.283	5.061	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2ccc(Oc3ccccc3F)c(F)c2)cc1	795819189	ISBRTNCFOZWCDT-IBGZPJMESA-N	418.399	5.054	30	20	HKED	
C=CCNC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	796634076	HNLVRPFEQCANAH-LBPRGKRZSA-N	423.683	5.064	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1	796749445	VBFTZUQOILZQIM-LJQANCHMSA-N	404.491	5.103	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCO2	796761816	HNZJRGNQBAMOQJ-BLLLJJGKSA-N	410.882	5.172	30	20	HKED	
CC(C)O[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	796805750	APVWKUYCIBGSIA-YCRPNKLZSA-N	412.461	5.431	30	20	HKED	
CC[C@@](O)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	800415273	NBXUKQXRCHGTOD-UPVQGACJSA-N	404.897	5.232	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)O[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1	803833444	VKKWVBXMVGFXHW-FQEVSTJZSA-N	415.836	5.208	30	20	HKED	
O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1sccc1SC(F)F	805257123	RGFLPBLNHBZQJE-UHFFFAOYSA-N	403.344	5.290	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccc(Cl)cc1	810186606	VTQIQDYXRJJEJQ-NRFANRHFSA-N	414.958	5.248	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1	810196499	YYWGAYBQQCANGL-OAQYLSRUSA-N	422.529	5.034	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nc2cc(Cl)ccc2s1	810536631	QZYGEWNXAWQESD-OCCSQVGLSA-N	416.333	5.306	30	20	HKED	
C#Cc1ccccc1CC(=O)N(c1ccc(OCC)cc1)c1nc2ccccc2s1	812826177	GCBGVIHXPYWRDW-UHFFFAOYSA-N	412.514	5.584	30	20	HKED	
C=CCOc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)c1	844255490	DNJLXESZDIWBLV-AQTBWJFISA-N	411.914	5.401	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)c(C)n1C1CC1	916321164	SRXSABSXYNQOAR-UHFFFAOYSA-N	423.586	5.079	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2ccc(Cl)c(Cl)c2)cc1	916914124	VRNKMSJGZUSYHQ-QGZVFWFLSA-N	403.309	5.226	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)sc21	916919199	TYUANIJMWXJWOR-LJQANCHMSA-N	423.497	5.507	30	20	HKED	
C[C@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)csc2C1	916943269	UQXOQHHAIOQSKJ-BONVTDFDSA-N	407.322	5.141	30	20	HKED	
N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc2ccccc2n1C(F)F	917042583	GJTOZWBEVYGPAG-MRXNPFEDSA-N	420.419	5.286	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)c1	917046589	MKICUYAWMXEMRW-KRWDZBQOSA-N	424.953	6.104	30	20	HKED	
Cc1ccc(C)c2c(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)oc12	920110550	RWXWCQNVBARXDZ-CQSZACIVSA-N	415.276	5.626	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N(CCC#N)c2ccc(C)cc2)cc1OC	920970235	BDGUSONCDMIJTI-UHFFFAOYSA-N	400.906	5.396	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C)n3)cc2)CCC1	1787075979	OJZMMKIYERYGIV-HXUWFJFHSA-N	421.516	5.045	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cscc3OC)cc2)CCC1	1788827096	USIUFENBLFKMLU-IBGZPJMESA-N	424.566	5.273	30	20	HKED	
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	16062857	ISGYSNHMZBNUGC-JTQLQIEISA-N	419.293	5.034	30	20	HKED	
Cc1sc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c(C#N)c1C	60550518	MVUGBWFLFNBNIM-UHFFFAOYSA-N	417.465	5.950	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	108374975	HEEACSLJHLRLLJ-UHFFFAOYSA-N	405.523	5.472	30	20	HKED	
CC(C)C(=O)Nc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1	236842290	BWBYWPSPIXXFLN-UHFFFAOYSA-N	413.521	5.022	30	20	HKED	
N#CCCCOc1cccc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1	237728805	ONYOSVZBBMZZEJ-UHFFFAOYSA-N	417.484	5.050	30	20	HKED	
C[C@H](NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc(C#N)cc1	409786031	GYWTUNYQCDVKCC-NYHFZMIOSA-N	408.860	5.348	30	20	HKED	
Cc1ccc(C)c(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	429474552	YWTMKLQXBHIXJQ-UHFFFAOYSA-N	413.521	5.612	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1OC1CCOCC1	432952880	BCTIUIUUNCUKCO-QFIPXVFZSA-N	407.514	5.110	30	20	HKED	
O=C(Nc1ccc(CCC(F)(F)F)cc1)N[C@@H](c1cc(F)ccc1F)C(F)F	433591877	DXAMWGFSACFMPX-HNNXBMFYSA-N	408.317	5.588	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3	434825991	KRRBXVDAEWDJLT-HZPDHXFCSA-N	418.566	5.143	30	20	HKED	
CCn1nc(C)c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	437783045	WUBJXTGWDZCMCE-IBGZPJMESA-N	407.905	5.473	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1	437793735	CMFISFBTEHKCIK-OAHLLOKOSA-N	410.499	5.043	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1F	438671019	MJQFRMPUVZTXHV-SFHVURJKSA-N	407.470	5.920	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)Nc3cccc(OCCCC#N)c3)ccc2C)c1	438699211	SCAPKWHNKMDVLR-UHFFFAOYSA-N	416.481	5.817	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1C	439111634	XEDQXUHEPZFYRN-UHFFFAOYSA-N	416.264	5.480	30	20	HKED	
N#CC1CCC(CNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CC1	441138598	IBSXECVIFJDNJY-UHFFFAOYSA-N	421.591	5.527	30	20	HKED	
CC(C)(C#N)CCCCN1CCC[C@H]1c1nc(-c2ccccc2Br)no1	444687908	WYEBVCUNZUHSBA-KRWDZBQOSA-N	417.351	5.356	30	20	HKED	
C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1cccc(Br)c1	460943006	HCOBMMKUUSIVHB-LJQANCHMSA-N	424.346	5.020	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3SCCc4sccc43)c2)c1	463387654	BFRWUVNISQKSFX-NRFANRHFSA-N	406.532	5.168	30	20	HKED	
N#Cc1cc(NC(=O)CCc2nccs2)ccc1Oc1ccc(C(F)(F)F)cc1	464298512	VWPUKTYKVPCQLR-UHFFFAOYSA-N	417.412	5.397	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1ccc(C#N)cc1	466593415	PPPRDNGZJPAJHV-DJJJIMSYSA-N	416.294	5.068	30	20	HKED	
CCCCN(C(=O)c1cn(CCCC#N)c2ccccc12)C1CC(C)(C)NC(C)(C)C1	469383516	JPIPRSSUSUJASL-UHFFFAOYSA-N	422.617	5.497	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(Br)s1	475560464	UOSHRYSIEBQQOS-UHFFFAOYSA-N	407.377	6.026	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1Cl	479513840	NKVRTNBPODWLRJ-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1cccs1	481391088	NUMRPIHYSYIZSJ-AWEZNQCLSA-N	409.540	5.020	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C)c1ccc(F)c(F)c1	481467576	PVQKWGWGCFWWIA-FQEVSTJZSA-N	424.451	5.640	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccnn1C1CCCC1	481512545	WTNREYCKDFLLTK-UHFFFAOYSA-N	400.482	5.010	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1	481673197	TWBNIWKIPPLWIR-VWLOTQADSA-N	413.496	5.507	30	20	HKED	
C[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cc2ccccc2o1	482118040	BRBPDKOQIMZOJI-ZDUSSCGKSA-N	420.519	5.190	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(F)c(F)c1	483277269	CUXULOOJPYJMGP-RTWAWAEBSA-N	414.500	5.270	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc4nc([C@H]5CCCO5)[nH]c4c3)c2)cc1	483356007	SSVLSHXRNCDPKO-HSZRJFAPSA-N	424.460	5.331	30	20	HKED	
C[C@@H]1CC[C@H](N(CCO)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	486232910	PDPACBVEXKRTFP-LKUPVBHCSA-N	411.933	5.010	30	20	HKED	
CC(C)S(=O)(=O)Cc1cccc(NCc2ccc(-c3ccccc3C#N)cc2)c1	487394283	KJOWFRWMELOARX-UHFFFAOYSA-N	404.535	5.161	30	20	HKED	
C=CCn1c(SCc2cnc3c(cnn3C(C)C)c2)nnc1-c1cccc(Cl)c1	489623889	NOSXLSZFZNBULV-UHFFFAOYSA-N	424.961	5.402	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cs2)cc1	499860415	JEIBEZSHLLBXHK-KRWDZBQOSA-N	416.333	5.349	30	20	HKED	
N#CC1CCC(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1	508349630	ATQYMIRXMUJDTB-UHFFFAOYSA-N	406.313	5.027	30	20	HKED	
C=C(C)Cn1c(SCc2nc([C@@H]3C[C@H]3c3ccccc3)no2)nnc1-c1ccco1	512058144	NWHDWFPNUMRRMT-DLBZAZTESA-N	419.510	5.061	30	20	HKED	
C=CCC[C@@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccco1	513713099	KFPQOVVGAINLNU-OAQYLSRUSA-N	414.502	5.017	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3C[C@@H]4CCCN4c4ccccc43)cc2)cc1	517652509	ZCDURJWSUYNTMC-NRFANRHFSA-N	409.489	5.174	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl	520475583	IHNJELCTCWBFDC-CYBMUJFWSA-N	408.304	5.685	30	20	HKED	
Cc1nnc(SC[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C	520490639	GFZDRMPLDOAQTH-YJBOKZPZSA-N	407.461	5.244	30	20	HKED	
CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	520924182	MQURNGNSLJRDOW-KRWDZBQOSA-N	409.555	5.205	30	20	HKED	
N#Cc1ccc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1C(F)(F)F	521931107	QPWHXGBZXAJDSO-HNNXBMFYSA-N	416.378	5.150	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl	522458558	OPVUWZPNONWNBQ-FOIQADDNSA-N	401.963	6.111	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H]2CCOc3ccccc32)cc1	522743602	BHQZIEHABFLQAR-HXUWFJFHSA-N	412.489	5.227	30	20	HKED	
Cc1ccccc1CN1CCC(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1	523123225	XPVYBFPDMSUGMR-UHFFFAOYSA-N	424.548	5.005	30	20	HKED	
C[C@@H](Cc1ccsc1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	523202581	UIQIYVQKWMCHGY-KRWDZBQOSA-N	407.514	5.102	30	20	HKED	
N#Cc1ccsc1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12	523307248	MTGNVQSLTIAEDL-QGZVFWFLSA-N	405.910	5.316	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)n(CCC#N)n1	525036128	RUCHMZVNIZODRC-UHFFFAOYSA-N	415.280	5.457	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F	525558277	DVYXZIPQFONITG-IRLDBZIGSA-N	420.434	5.621	30	20	HKED	
O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(O)ccc1C(F)(F)F	527257287	KBZOJAZWXKVYKQ-UHFFFAOYSA-N	421.312	5.031	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1	532661814	USQVQRRDJMCSJS-JKSUJKDBSA-N	424.595	5.180	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1C1CC1	536516064	STEMYNRTLCPEJV-DZIBYMRMSA-N	421.545	5.115	30	20	HKED	
N#CC1(CCCSc2nnc(Cc3ccccc3)n2-c2ccccc2)CCOCC1	537504842	VYGIWDWJRPZLLB-UHFFFAOYSA-N	418.566	5.051	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3cc(C(C)(C)C)sc3C#N)cc(C3CC3)nc21	538072903	XVLZUZWAEVOPQU-UHFFFAOYSA-N	407.543	5.373	30	20	HKED	
CC(C)(C)OC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	540022646	ZPJYNGHPZXFYKO-SFHVURJKSA-N	404.491	5.255	30	20	HKED	
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	541705054	QDWNKMZTKABJIB-VGSWGCGISA-N	424.976	5.189	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1	542106368	LTKWBZMECITPQJ-QZTJIDSGSA-N	409.533	5.867	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc([N+](=O)[O-])cc1F	544433211	NSOWVAGKTIDCGX-AWEZNQCLSA-N	405.385	5.140	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3cc(OC4CCC4)ccn3)no2)c2ccccc21	545096944	FVQIVPAWQNPSMI-MDZDMXLPSA-N	411.465	5.102	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1ccon1	546837886	MMLSIKKLEYZYPE-GFCCVEGCSA-N	416.359	5.240	30	20	HKED	
CN(CCC(F)(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	548365395	IEOLQXPIWSVTSW-NSHDSACASA-N	410.280	5.293	30	20	HKED	
N#CCC1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	548695180	SNOFYTXCCLEKQI-HNNXBMFYSA-N	407.358	5.034	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1Cl	550222483	MGVIZVHZRBLZNX-FGZHOGPDSA-N	414.892	5.694	30	20	HKED	
CC(C)Oc1cccc([C@H](NC2CCC(Oc3ncccc3C#N)CC2)C(F)F)c1	550911162	LSLYPAJWJJDOET-GRERDSQWSA-N	415.484	5.026	30	20	HKED	
N#Cc1cnccc1NC(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	554752719	GHMCWRSOAWMNPI-UHFFFAOYSA-N	414.317	5.805	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(-c2ccccc2OC)c1	558343625	PAFMDCDVZOQPMK-UHFFFAOYSA-N	418.541	5.750	30	20	HKED	
C=CCCOCCCCC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21	563566568	YXFMOUHHRKJSEY-IBGZPJMESA-N	419.363	5.187	30	20	HKED	
N#Cc1ccc(CNCC2(c3cccc(Cl)c3)CCOCC2)c(C(F)(F)F)c1	567284719	YKXALEQHOYQOOF-UHFFFAOYSA-N	408.851	5.068	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1C[C@H](c2ccccc2)C[C@H]1C	572207089	RFYMEFHDRCMRFF-UYAOXDASSA-N	420.582	5.147	30	20	HKED	
Cc1cc(N[C@H]2CCOC3(CCCC3)C2)c(C#N)c(N[C@H]2CCOC3(CCCC3)C2)n1	590587183	XACDQCMCVCOOQR-PMACEKPBSA-N	424.589	5.069	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1Cl	603766659	SBYMVHDLOIYZGT-OAQYLSRUSA-N	412.880	5.433	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)s2)cc1	604083598	OFOQNQLQUUMOGR-FQEVSTJZSA-N	406.486	5.114	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604089590	GMQXPEUXMRODNW-UHFFFAOYSA-N	416.868	5.540	30	20	HKED	
N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc1	604465491	DEMIZYJWTACKMG-UHFFFAOYSA-N	418.396	5.170	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCCC4)s2)cc1	604514002	RFWMKBJPECQUNA-UHFFFAOYSA-N	423.563	5.582	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1	604673260	OXVCKHGFQQEOES-GOSISDBHSA-N	420.534	5.041	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4ccccc4)s3)cc2)nc1	609497295	BCQKOJBNXGXRKV-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H](C)c1cccnc1	609682201	QFNKCDKFBLAUSR-QGZVFWFLSA-N	416.481	5.369	30	20	HKED	
CC(C)COC[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccco1	609990189	GVJOGIWOJLBNCS-JOCHJYFZSA-N	403.482	5.039	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1C	610054561	TYRAMMDSCUHLDZ-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)sc2c1CCC2	610433783	BSYBPUSYZSBMSM-UHFFFAOYSA-N	419.453	5.503	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1	613404040	ZFAPIBQSZYQJLP-KRWDZBQOSA-N	406.898	5.242	30	20	HKED	
CCN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@@H](C)c1cccc(C(F)(F)F)c1	618847998	SFKJWLTYHFWOLX-XOBRGWDASA-N	401.432	5.357	30	20	HKED	
C=CCN(C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1	641900824	YPYVOQSPEJVHJY-UHFFFAOYSA-N	413.340	5.334	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2ccccc2)C(C)C)nnc1-c1ccc(OC)cc1	643094005	NTZHVTAFNHZQJS-OAQYLSRUSA-N	407.539	5.139	30	20	HKED	
C[C@H](c1cccs1)N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S	726801653	JCOHTNAQHHPPPX-VVTMIQRTSA-N	414.577	5.393	30	20	HKED	
CCc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728298578	GRKSLKRTEWUAFW-KRWDZBQOSA-N	417.484	5.278	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Oc3c(Cl)cccc3C2=O)cs1	729151539	SYIWDVIVCXNQRZ-ZDLGFXPLSA-N	410.882	5.406	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3sccc3-c3ccc(F)cc3)CC2)c1	729417782	PJKYZTKTMVUCPO-UHFFFAOYSA-N	406.482	5.109	30	20	HKED	
COc1ccccc1C/C(C)=C/C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	730170569	DJGLSCLWTFGEPS-XMHGGMMESA-N	412.489	5.273	30	20	HKED	
N#C[C@@H](NC(=O)COc1c(Cl)cccc1Cl)c1cccc(Cl)c1Cl	731195242	BSUXGBUNSFJZGI-CYBMUJFWSA-N	404.080	5.060	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(OC2CCCC2)c1	731287657	HOQMPADHFRHJSA-IBGZPJMESA-N	417.292	5.276	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2F)n1	732633555	LWVPWGYTLUBHKM-HSZRJFAPSA-N	424.479	5.536	30	20	HKED	
O=C1/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCc2[nH]c3ccc(F)cc3c21	733083882	SWXUZHFYFLTZKO-XYOKQWHBSA-N	419.437	5.551	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)c1	739436424	CDYVAKYSZRYPOD-UHFFFAOYSA-N	400.503	5.715	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1	740329848	WSCXBGDPCZXKQC-ZDUSSCGKSA-N	418.371	5.238	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3OC)cc2)cc1NC(C)=O	741467413	NSNCFZMMQRTTOW-GXDHUFHOSA-N	401.462	5.225	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H](C)[C@H]2CCC)c1=S	743380547	JFNVQPFCUSBJON-PKOBYXMFSA-N	400.592	5.134	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cnccc2Oc2ccccc2)cc1OC	748639962	FWHMIJPAXPOXPA-ZRDIBKRKSA-N	402.450	5.099	30	20	HKED	
Clc1ccc(Cl)c(-c2csc(C=Nn3cnnc3-c3ccccc3)n2)c1	755617884	RLIFGFGYVYPBQU-UHFFFAOYSA-N	400.294	5.258	30	20	HKED	
CC(C)c1ncc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)s1	758426240	HTJZLLJPMVTZMJ-OUKQBFOZSA-N	406.507	5.180	30	20	HKED	
C[C@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1ccccc1Sc1ccccc1	760218748	CCXKUDNLXXTZSS-INIZCTEOSA-N	421.497	5.318	30	20	HKED	
CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl	764302973	ULLJRVYVQJCBFC-QGZVFWFLSA-N	401.850	5.039	30	20	HKED	
Cc1cccc2sc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c(Cl)c12	764303812	QQAFFHVPTPVKDT-UHFFFAOYSA-N	406.250	5.549	30	20	HKED	
CCOc1cc(/C=C2\CSc3c(F)cccc3C2=O)cc(Br)c1O	767912658	PTSGURXYOMPIHP-IZZDOVSWSA-N	409.276	5.065	30	20	HKED	
CC(C)Cc1ncc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)s1	772837361	RUGYRBQBUDLNAM-UHFFFAOYSA-N	412.371	5.078	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Br)cc1Br	773030883	WWNWOPBKXCBASF-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cn(C)c2ccccc12	774018317	SLWKHFBVDGLJJT-ZFWWWQNUSA-N	421.472	5.560	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc2[nH]ccc2c1)c1nc(-c2c(F)cccc2F)cs1	776083817	CDIUOMFJXGLUNQ-HNNXBMFYSA-N	407.445	5.379	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc(CSc2ccc(C#N)cc2)n1	779591569	VFJILMBSVFHOMD-KRWDZBQOSA-N	414.531	5.086	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(CSC2CCOCC2)c1	780579564	OEZCTCQVRZILSH-INIZCTEOSA-N	411.527	5.034	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780606602	WAKUZVHJDWOMAQ-HNNXBMFYSA-N	410.474	5.277	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1	780669549	DAISCSMARLSICX-ZHRRBRCNSA-N	421.447	5.361	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCO1	781770006	JXCPMMKLMPHCGG-JDFRZJQESA-N	410.461	5.333	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](CSC)c2ccc(C(F)(F)F)cc2)c1	781905371	NUXZWYKLANHUOG-QUCCMNQESA-N	408.489	5.580	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccc(Br)s2)C2CC2)c1	784042808	NMBZEWHNVHACJT-HNAYVOBHSA-N	405.361	5.432	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(F)c3ccccc23)c1	806806612	DRGLYSBLURNWQA-WMZOPIPTSA-N	405.473	5.220	30	20	HKED	
C#C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(Cl)cc1	810474873	XRZVAGROPOMKQV-OAQYLSRUSA-N	416.868	5.185	30	20	HKED	
CC(=NNc1ccc(Cl)nn1)c1sc(-c2ccc(Br)cc2)nc1C	814697786	CMIGDZVILDRHAO-UHFFFAOYSA-N	422.739	5.161	30	20	HKED	
C=CCn1c(SCc2ccnc(Br)c2)nnc1-c1cccc(Cl)c1	814753652	UCKKLSFNMCZGBP-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)sc2ccc(Br)cc12	815897639	CJHOGKMSJZRKSU-CYBMUJFWSA-N	410.296	5.339	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c(C)nc2c1	915087904	XXUNOVONKVHQHG-DEOSSOPVSA-N	407.473	5.460	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCSc2ccc(Cl)cc2)cc1	916911910	HWNOZFFYMYIFIP-IBGZPJMESA-N	400.931	5.122	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1cccc2ccccc12	916915647	GRFBAADXUHYPFT-JOCHJYFZSA-N	408.457	5.380	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl	916925329	IUYCVVBEOFTDEY-ZDUSSCGKSA-N	412.898	5.223	30	20	HKED	
N#C[C@@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2ccccc2)cs1	917026761	OMKFHDPJNVDNAK-HNNXBMFYSA-N	420.519	5.121	30	20	HKED	
Cc1oc(-c2cccs2)nc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	917774404	LUPKITZMJQQMBI-UHFFFAOYSA-N	417.515	5.663	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2cccc(OCC(F)(F)F)c2)cc1OC	918185568	GXLMHRQXSZGZFX-UHFFFAOYSA-N	417.811	5.239	30	20	HKED	
Cc1ccc(-c2nc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)cs2)cc1	918782316	GFCLCKSCTGIUIN-VCHYOVAHSA-N	419.556	5.396	30	20	HKED	
COc1cc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)ccc1OCc1ccccc1	920066121	RERFSAKVMVGZET-LDADJPATSA-N	418.445	5.086	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C	920101905	MWJLDKZOQRWZFA-HXUWFJFHSA-N	406.441	5.890	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1	920819820	KRVFECDCHVJSNV-UHFFFAOYSA-N	423.394	5.276	30	20	HKED	
CC(C)Oc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1	921254802	DGTGARFVHOYCAJ-UHFFFAOYSA-N	407.326	5.210	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)cc3)CCC2)C1	1786023921	HZYMTUPRNJDSDL-XZOQPEGZSA-N	418.512	5.030	30	20	HKED	
CCCCC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1	1791314291	NBDVZHPHERECKE-VKELSTCCSA-N	423.557	5.049	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCn3cccc3)cc2)CCC1	1791901122	RRWRRPHPGGWEFV-HSZRJFAPSA-N	419.569	5.171	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(C)(C)CC1)C2	1792573152	LHJKWBBXBSATRW-WKCHPHFGSA-N	402.623	5.224	30	20	HKED	
C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)CC1	1831562454	PFADLYIDJFIQOL-XWGVYQGASA-N	414.634	5.016	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccccc2)cc1	7034151	ODGFTSALAVWURB-GOSISDBHSA-N	415.566	5.767	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(CC)cc2)cc1	10172692	GZLKQRHLPZQNCB-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Cl)c2)c1	10830464	VKQNOLWJJAUOQR-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
O=C1/C(=C/c2cnn(Cc3ccccc3)c2)CC/C1=C\c1cnn(Cc2ccccc2)c1	27121473	PCUVXPDNITZSCB-BKHCZYBLSA-N	420.516	5.006	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	28934810	GKELGMKWKHYARJ-JXMROGBWSA-N	412.927	5.007	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2ccccc2s1	41499521	SAQAQKFQGHULAS-GOSISDBHSA-N	400.434	5.156	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)n1	41521607	SLOCZQZWPSJMQA-OAHLLOKOSA-N	412.927	5.304	30	20	HKED	
COc1cccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	47570335	LFVFQEFSFSBFSI-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1	58883757	KQEYLNOGMKAZIU-ZVDOUQERSA-N	419.594	5.187	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCCOc1ccccc1-c1ccccc1	63404004	OOBZTEXGGNXJJE-UHFFFAOYSA-N	411.505	5.002	30	20	HKED	
C=CCN(Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)Cc1cccs1	98080722	ZIEQMYRTPQHUIR-UHFFFAOYSA-N	411.596	5.191	30	20	HKED	
CN(C)Cc1nc(Oc2cccc(F)c2C#N)c2c(-c3ccccc3)csc2n1	301876601	YKFSQCYXDPUGFX-UHFFFAOYSA-N	404.470	5.223	30	20	HKED	
Cc1ccc(C)c(CSCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1	303311119	PBCDNBOGLWYOKI-UHFFFAOYSA-N	407.539	5.107	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	303568643	BFJKPVCVUGKCBK-UHFFFAOYSA-N	416.477	5.185	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	429033669	YPJUVQIIOVZVLX-UHFFFAOYSA-N	418.969	5.196	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1	429927097	RBRPWNQSGDRKKN-UHFFFAOYSA-N	417.321	5.106	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccc(C#N)cc1Cl	430348828	CDVXZTBJIUXJNP-NSHDSACASA-N	402.306	5.533	30	20	HKED	
Cc1nc(CCC(=O)Nc2cccc(C#N)c2C)oc1-c1ccc(Br)cc1	431827897	KBUDZVKOJPLWMV-UHFFFAOYSA-N	424.298	5.164	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1	432765886	DZVJHXCJNGCGOO-HSZRJFAPSA-N	412.493	5.496	30	20	HKED	
O=C(NCCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	438292953	UXCZPUVRMFCXPV-UHFFFAOYSA-N	414.293	5.434	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(C#N)cc2Cl)ccc1OCc1ccncc1	439439265	FSBHEJQYHNRFBO-INIZCTEOSA-N	407.901	5.045	30	20	HKED	
CCCc1c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cnn1-c1cccc(C#N)c1	440083656	UDRKXRTZPHMOHO-HOTGVXAUSA-N	404.436	5.004	30	20	HKED	
Cc1nc(-c2ccc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)cc2)cs1	440474398	BQVNRJNTOGWJQH-UHFFFAOYSA-N	417.534	5.110	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCC1CCC(C#N)CC1	441142459	FWMUSQUTETYHQQ-UHFFFAOYSA-N	415.946	5.022	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	443886792	UMOPJYRRLSJJIN-UHFFFAOYSA-N	419.384	5.045	30	20	HKED	
Cc1ccccc1O[C@@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	461356379	VZFPRMIJGUKODS-IBGZPJMESA-N	416.546	5.356	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2Cc2cccs2)c1	461501155	YOAJBACOAMXCIA-LJQANCHMSA-N	417.563	5.330	30	20	HKED	
O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccoc1C(F)(F)F	464314469	BLMRXRCKIXNJOH-JTQLQIEISA-N	421.215	5.230	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1	464940523	LFAVEEQYNCZCFQ-ICSRJNTNSA-N	407.926	5.375	30	20	HKED	
Cc1ccc2c(CCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c[nH]c2c1	465131125	XGXNUQKOSQDOBU-AREMUKBSSA-N	423.516	5.369	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1	466317927	OOXLONSUODZTQR-ZDUSSCGKSA-N	417.296	5.899	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	466895304	YUQFBJOFEVDNIJ-NQIIRXRSSA-N	400.478	5.139	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccccc4)cc3F)ccc21	469237454	ZIOIYFUVTJDMTF-UHFFFAOYSA-N	413.496	5.688	30	20	HKED	
CCC1CCC(N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C2CC2)CC1	470566441	PQSUQZLVECJOEI-UHFFFAOYSA-N	422.573	5.235	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1	474858793	LALGKPPKTONYPZ-UHFFFAOYSA-N	404.457	5.341	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCc4c(O)cccc43)cc2F)c1	476019356	LOFRHQHESLPFJK-OAQYLSRUSA-N	416.452	5.041	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccn(-c2cccc(Br)c2)n1	476138901	HLXPMQVGVWTFHW-UHFFFAOYSA-N	424.342	5.739	30	20	HKED	
CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C[C@H](CC#N)c1ccccc1	477094033	ANIFBKGKNCLGFK-HKUYNNGSSA-N	411.343	5.200	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)nc1	477824397	MAQDVZISKXJGQL-HXUWFJFHSA-N	422.469	5.359	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(COCc2ccco2)c1	480386120	JQQVKCCDFUUNEW-UHFFFAOYSA-N	416.930	5.931	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)c1	480625512	KZVFMZLNBAKHJX-HXUWFJFHSA-N	412.603	5.200	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1ccncc1	481343871	SSIQRSVKNHTUGD-UHFFFAOYSA-N	409.540	5.233	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	482812689	NCNCHQKHYKEBSD-VGSWGCGISA-N	418.924	6.136	30	20	HKED	
CCC1(CO)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	482962953	WZMGIDYOZAAQTE-UHFFFAOYSA-N	413.905	5.020	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2ccc(F)cc2C#N)n1Cc1ccco1	483154679	RFBPUJVNHQXTKS-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCc3csc(-c4ccccc4)n3)c2)cc1	484982761	FMCVMTXSAUCMCT-UHFFFAOYSA-N	411.486	5.404	30	20	HKED	
Cc1sc(NC(=O)C2(c3cccc(C#N)c3)CC2)nc1-c1c(F)cc(F)cc1F	486230030	SFPLSWRPJVAAFY-UHFFFAOYSA-N	413.424	5.078	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3nc(CN4CCCCC4)cs3)c2)cc1	486954734	LCRFGXYLGZIBBW-UHFFFAOYSA-N	418.522	5.045	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1	502401951	WEUJCKMNBZEZMP-KRWDZBQOSA-N	422.495	5.374	30	20	HKED	
O=C(NC[C@@H]1CCCC(F)(F)C1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	504762127	KIJKTPKNYGCPJT-ZWNOBZJWSA-N	416.337	5.016	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	505315120	VBSZRUJUZVPSGW-DVECYGJZSA-N	414.505	5.149	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1	505834501	SVZIIEPNOVMMHC-LJQANCHMSA-N	422.916	5.001	30	20	HKED	
C=C(C)COc1cc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1OC	506753509	SCLXRUFDWCMRSE-UHFFFAOYSA-N	423.340	5.027	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1	507844036	IYSCPZWRSFEAAI-INIZCTEOSA-N	419.456	5.246	30	20	HKED	
CC(C)c1ncc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cn1	508290785	XMPPLXVLPKATCC-UHFFFAOYSA-N	420.900	5.190	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccco2)C(C)C)cc1	509959084	WEVQDYKEPOCGKL-UHFFFAOYSA-N	405.454	5.395	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1	511971447	HFPHQQVXPYLXDU-MSOLQXFVSA-N	404.407	5.518	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c1	512145814	NYXDRCBXNRBBBE-UHFFFAOYSA-N	411.792	5.015	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](c2ccccc2)c2cccc3ccccc23)c1	517711537	LFQQVCFPPKAERB-NDEPHWFRSA-N	406.529	6.402	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1	518454069	XGDPFLYEAYTZCH-YADHBBJMSA-N	422.912	5.178	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4cccc(F)c4)cs3)cc2)nc1	521090202	BICRYKCOFAAZOS-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	521605722	ASISIECEYLCNRT-YTFSRNRJSA-N	416.908	5.746	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnc2ccccc2c1C(F)(F)F	524390872	HSDFFZZMTCRUIZ-UHFFFAOYSA-N	402.269	5.664	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(C#N)cc1	531810911	HFJGHNVOEZLJDD-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccncc2)s1)c1nc(-c2c(F)cccc2F)cs1	536438347	BDEKEVYIBGMVDR-LBPRGKRZSA-N	424.457	5.097	30	20	HKED	
C=CCC[C@@H](NCc1nc(O)c2c(C)c(C)sc2n1)c1ccc(C(F)(F)F)cc1	538231131	YRPYUDVGEWARJM-MRXNPFEDSA-N	421.488	5.830	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3nc4ccc(OCC(F)(F)F)cc4s3)cc2)CC1	539635058	NUFQZMCYHFEZHK-UHFFFAOYSA-N	417.412	5.045	30	20	HKED	
N#CC1(CCCNc2ccc(Oc3ncc(Cl)cc3Cl)cc2)CCOCC1	539709877	CCNOFKLORFZAHH-UHFFFAOYSA-N	406.313	5.693	30	20	HKED	
C=CCC[C@H](NCc1csc(-c2ncccn2)n1)c1ccc(C(F)(F)F)cc1	540434433	LOOIYAZKGHCGAN-KRWDZBQOSA-N	404.461	5.416	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)CC2)c1	542032040	GCUPYHNPMUJVTR-UHFFFAOYSA-N	410.543	5.138	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1	542962284	PRRAQSMETLXBDM-IBGZPJMESA-N	405.889	5.075	30	20	HKED	
C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(-c2cccc(C#N)c2)cc1	543859007	HAUATYLCEILZEB-KRWDZBQOSA-N	424.529	5.164	30	20	HKED	
COc1cc(NC(C)=O)ccc1[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543961306	IHPGSVKUOZCQMF-MSOLQXFVSA-N	413.521	5.604	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@@H]1c1ccnn1C)c1ccc(C(F)(F)F)cc1	543999199	XQUHIFUQKUIVTI-AZUAARDMSA-N	420.479	5.383	30	20	HKED	
CO[C@H](c1noc(-c2ccc(COc3ccccc3C#N)o2)n1)c1ccccc1Cl	546518047	MHKIUAWRGQOMCI-FQEVSTJZSA-N	421.840	5.169	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1Cl	548618774	MFWLEGZNTNCAPF-MHZLTWQESA-N	400.931	5.045	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1	553205378	FRMLBFSFCWFXLQ-UHFFFAOYSA-N	420.509	5.418	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1	555259330	ZPBNEGGWCDZKGU-IERDGZPVSA-N	419.554	5.030	30	20	HKED	
Cc1csc(CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1	555558760	UGPAWWORNNOXQU-UHFFFAOYSA-N	405.523	5.172	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)nc1	563669061	SECJGSIKOXGTLL-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
N#CCCn1cc(CN2CCC([C@H](F)c3ccccc3F)CC2)c(-c2ccccc2)n1	563915987	GZNJIFSLVIPWMQ-DEOSSOPVSA-N	420.507	5.526	30	20	HKED	
C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)c2ccccc12	567419949	ZRYWIHBZJFRCKC-NSHDSACASA-N	422.344	5.566	30	20	HKED	
C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@H](OC1CCOCC1)c1ccccc1	569163400	FEKWEPCHXKFYEU-BTYIYWSLSA-N	404.432	5.314	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC=C(c3ccccn3)C2)c1	571572708	IUSGCCXJCCYRBJ-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1	573781348	SFPVTKXOLOFEEL-UFYCRDLUSA-N	412.331	5.039	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1CNC1(c2cccc(C#N)c2)CC1	579099689	CKRWLCGESGOYLA-UHFFFAOYSA-N	404.517	5.498	30	20	HKED	
COc1ccc([C@@H](NC(=O)CCCCCC#N)c2ccccc2Cl)c(OC)c1	588625150	SVFCVSBANVFIPP-QFIPXVFZSA-N	400.906	5.037	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	589017669	WCVOXNUJORXEOX-QGZVFWFLSA-N	414.474	5.079	30	20	HKED	
O=C(NCCOc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1C(F)(F)F	590337178	ZZNXOPVCSQVFCJ-UHFFFAOYSA-N	410.289	5.064	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)Oc1cccc(F)c1	603532943	HYNYZMDEPTXAKJ-KRWDZBQOSA-N	406.432	5.146	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1oc2c(F)cccc2c1C	609061400	BPBFGIFWEQZKBE-UHFFFAOYSA-N	414.436	5.892	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3Cc3ccccc3)cn2)cc1	609139309	YTNMLMBRMGSXDW-JOCHJYFZSA-N	412.493	5.375	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(Br)cc3ccccc23)c1	609298574	YVUNJYJKECTWRF-UHFFFAOYSA-N	409.283	5.537	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCCOc1ccc(F)cc1	609438946	PHGCZOWUXVVOBL-INIZCTEOSA-N	401.507	5.201	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)c1	610203583	KLVOMBKLIBJJPE-UHFFFAOYSA-N	417.852	5.141	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)cc2)cc1	610323854	JRTDRABTUXIANG-INIZCTEOSA-N	403.507	5.601	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)cc2)cc1	610323855	JRTDRABTUXIANG-MRXNPFEDSA-N	403.507	5.601	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(CC1)OCc1ccccc12	610744855	MMVOYZFOPZJKSA-QGZVFWFLSA-N	407.539	5.134	30	20	HKED	
N#Cc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1C(F)(F)F	611186196	JTRDXUBHFMXBKG-UHFFFAOYSA-N	423.366	5.890	30	20	HKED	
N#CCCn1cc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c(-c2ccccc2)n1	611259264	BRJJMFGNCOINFS-JOCHJYFZSA-N	409.537	5.325	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	619752443	IYNWKMVRGIYWHC-QGZVFWFLSA-N	409.283	5.275	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1Oc1cccnc1)c1nc2cc(Cl)ccc2s1	623036513	RXZJQXRCFAEEGK-MRXNPFEDSA-N	405.866	5.627	30	20	HKED	
O=C(c1c[nH]cc1-c1ccccc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683828924	ZJPLAPFZCWCAOS-GHMZBOCLSA-N	408.317	5.024	30	20	HKED	
Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2)c1	726571042	CSNSLOYYTQTIKJ-UHFFFAOYSA-O	406.918	5.131	30	20	HKED	
Cc1cc(C)cc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)c1	726802131	UBPXILAYLSYAET-XSFVSMFZSA-N	408.548	5.392	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCC[C@@H]1c1ccccc1C(F)(F)F	728121330	FYUBVWDBPWNHKI-MRXNPFEDSA-N	420.328	6.232	30	20	HKED	
COc1ccc(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl	729160639	ZHAKEXVBRYXQKI-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
CCN(C)c1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	730240365	HVYFBJIKNKBBIL-UHFFFAOYSA-N	401.535	5.096	30	20	HKED	
C#CCOc1ccc([C@H](C)OC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1	730430337	RIWMKKTYXYPNEV-INIZCTEOSA-N	409.869	5.244	30	20	HKED	
COc1cc(Cl)ccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	730895908	MIHBSLBFMMUEDB-NRFANRHFSA-N	405.885	5.326	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@@H]1CCCc2ccccc21	731096296	CKEPQBAFSPOWIS-MJGOQNOKSA-N	422.550	5.073	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)cc2)nc1	732967384	AEKKHIFXJRVZDX-OAQYLSRUSA-N	405.404	5.001	30	20	HKED	
COc1cc(C=NOCc2cc(Br)ccc2Cl)ccc1OC(F)F	732983470	AIUYHQLPKMCPKS-UHFFFAOYSA-N	420.637	5.263	30	20	HKED	
Cc1ccc(-c2ncc(/C=C/C(=O)c3ccc(OCc4nccn4C)cc3)s2)cc1	734304361	HSDHQYWDDNFPOE-VAWYXSNFSA-N	415.518	5.327	30	20	HKED	
CCCCOc1ccc(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc1OC	741842824	CKCKCZCMVVNIMR-WQLSENKSSA-N	415.493	5.136	30	20	HKED	
O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CCOc2c(Br)cccc21	743055443	CYMALXJYNNWHBR-QINSGFPZSA-N	423.266	5.080	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)s2)cc1	743811914	ITPZPVDPJFVREP-LJQANCHMSA-N	408.914	5.238	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1nc(-c2c(F)cccc2F)cs1	744074233	KBLDDQGHZGKDGF-KKAKJJSRSA-N	406.457	5.169	30	20	HKED	
C[C@H](Oc1cccc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)c1)C(=O)O	745022349	ZXOGINMUSKJTOZ-XPSMFNQNSA-N	413.882	5.212	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c[nH]c4ccc(C)cc34)n2)cc1	747109997	LERAMYFMQUZNGP-HXUWFJFHSA-N	415.518	5.418	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1sc(C(C)C)nc1C	751132740	HTARSVHBIIOGKA-UHFFFAOYSA-N	420.464	5.282	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NCCNc2ccc(C#N)cn2)cc1	752714394	ARGQLALUYYNXQA-QGZVFWFLSA-N	417.538	5.040	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1C#N	752795272	CFOAHOYBEQBWAJ-GFCCVEGCSA-N	411.849	5.003	30	20	HKED	
C[C@H](OC(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F	756636073	LEBJCWXNVIZDJE-VIFPVBQESA-N	423.284	5.047	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)c1ccccc1	757913827	LCQWYKUYAYBAST-UWJYYQICSA-N	407.514	5.158	30	20	HKED	
O=C(/C=C\c1ccc(OC(F)F)c(Cl)c1)c1cc(Br)ncc1F	762421771	KONVPDNKDLVTQU-IWQZZHSRSA-N	406.585	5.134	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	766275843	QNYMKJMGDVVDIW-MRXNPFEDSA-N	417.292	5.002	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21	769542289	FAIAWKNMOWQZOY-UHFFFAOYSA-N	420.856	5.005	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)Cc1csc(-c2ccc(Cl)s2)n1	774318164	CXJWDRLYNUDLMC-ZDUSSCGKSA-N	424.881	5.024	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CCC2	780414047	PBRQLZUHAXNIEY-NRFANRHFSA-N	415.497	5.327	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1	780669336	CAHIBHYPFSZTNL-HNNXBMFYSA-N	415.415	5.317	30	20	HKED	
CC(C)(C#N)CCOC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12	785756795	NHDODLAWCCPCKV-UHFFFAOYSA-N	424.298	5.156	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@H](C#N)c2nccc3ccccc23)c1	792089864	ATLOHPPRFVLBTA-FQEVSTJZSA-N	401.466	5.001	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc5n[nH]cc5c4)c23)cc1	794880869	STYFLTGMBGACBL-UHFFFAOYSA-N	414.494	5.079	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1	798815843	BGDFGGHIJRDEHF-GUYCJALGSA-N	400.425	5.809	30	20	HKED	
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cnn(C2CCCC2)c1	799898204	ZTVBFZCNVXJSQF-OUKQBFOZSA-N	423.520	5.201	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)OCc2ccc(C#N)cc2Br)cc1	801907980	ORHACMRLAXMZBO-CQSZACIVSA-N	414.299	5.006	30	20	HKED	
CC(C)c1ccc(OCc2nnc(S)n2N=Cc2csc3ccccc23)cc1	812450559	MJBBWEICSYEVPP-UHFFFAOYSA-N	408.552	5.366	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(Br)c1	813060683	GXJJQQWIQLZGSA-QMTHXVAHSA-N	419.731	5.692	30	20	HKED	
CC(=NNc1nc(C)cc(C)n1)c1sc(-c2ccc(Br)cc2)nc1C	814681559	RIRMTSNRVBOMLS-UHFFFAOYSA-N	416.348	5.124	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814926636	CBDPNAQFDAYSLT-CVEARBPZSA-N	420.435	5.087	30	20	HKED	
C[C@H](Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(CN(C)C)c1	864018526	JDYXHMWEODGCRQ-ZDUSSCGKSA-N	422.388	6.211	30	20	HKED	
CCOc1ccc(-c2nc(NC(=O)c3ccccc3SCC#N)sc2C)cc1	878278633	SZVSIDMMTNXVNU-UHFFFAOYSA-N	409.536	5.385	30	20	HKED	
CCCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2cccc(C#N)c2)c1=S	914783409	NNCLPWMLQAOWFP-UHFFFAOYSA-N	411.962	5.106	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915103398	VTPRANSKOFDIGB-AWEZNQCLSA-N	407.347	5.987	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2c(C)cc(Br)cc2C)cc1OC	916405808	ZARTVOBBCZVCCS-CLFYSBASSA-N	416.315	5.291	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1	916912311	JACRLKVCBKCLPV-INIZCTEOSA-N	404.516	5.640	30	20	HKED	
N#C[C@H](C(=O)COc1c(Cl)cccc1Cl)c1nc2cc(Cl)ccc2s1	917046002	FEZUGDVYZOYFAQ-SNVBAGLBSA-N	411.697	5.512	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CCCCCCC2)cc1Cl	918237759	KQIZJENJDBSJPT-NRFANRHFSA-N	423.944	5.163	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1	1791325658	RZMDBRNUUYBLGJ-HKBOAZHASA-N	406.570	5.140	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4occc4c3)CC2)C1	1804858611	KQMLXDRSWJWYHR-UHFFFAOYSA-N	422.569	5.270	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CC(=C)C)n[nH]1	1819554806	PUICRDFPWYYDJS-AZUAARDMSA-N	412.578	5.163	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2F)CC1	1824725227	PGJXLZIMDYCXMY-LJQANCHMSA-N	420.594	5.113	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCCC2)CC1	1829065779	BBQNZNNEUGPGQD-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccccc1F	11170360	SSELZVDJCBYLLZ-UHFFFAOYSA-O	421.561	5.652	30	20	HKED	
C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1	26125681	HKPLUOBQZYFKTC-CYBMUJFWSA-N	414.292	5.330	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1	29153081	BTAQVXOCIAOHFV-UHFFFAOYSA-N	403.532	6.078	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(Br)c1	54864719	BZAIJKNQNBWVOW-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CC(C)OCCOCc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1	65785056	QDLKHOMAXJJMSB-UHFFFAOYSA-N	414.505	5.419	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1F	216103711	SLNIWUZNUJVPTB-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
C[S@@](=O)Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1Cl	303624152	NNYJWVPMOCNYTI-GDLZYMKVSA-N	424.909	5.135	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	426229942	JEXXCBKSMZSBAM-OTYXRUKQSA-N	405.392	5.118	30	20	HKED	
Cc1sc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1	429081555	UCFALVDGTQUNSZ-IBGZPJMESA-N	424.957	5.616	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	430644332	NDMUMRGNTPYLGO-UHFFFAOYSA-N	410.473	5.149	30	20	HKED	
C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(F)c(C#N)c1	430720848	NKZRJIGQJKTGOK-KBPBESRZSA-N	413.880	5.006	30	20	HKED	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	433148376	AMFIDGHXMMYQFJ-LGGPFLRQSA-N	411.571	5.290	30	20	HKED	
CN(C)[C@@H]1CCOc2c(NCc3cccc(OCc4ccccc4C#N)c3)cccc21	433178277	FOCYXCNAZUJSLH-RUZDIDTESA-N	413.521	5.135	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	433471611	RKSKZKXXHMHRAI-UHFFFAOYSA-N	407.514	5.456	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Br)cc1Cl	436147421	DAKQAZXZNVWDLF-CRAIPNDOSA-N	418.722	5.406	30	20	HKED	
CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	437485732	SADJCJOSMOQYCN-VGOFRKELSA-N	415.493	5.514	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC3(CCCCC3)C2)cc1	437900638	YAVPGBIWECFULN-UHFFFAOYSA-N	403.526	5.520	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	439016176	WRVTXNQIEMALBW-FGZHOGPDSA-N	404.510	5.400	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc3cc(OC)ccc3c2)nnc1-c1ccoc1C	439280989	FGBCAHRZUWRGDP-MRXNPFEDSA-N	405.523	6.048	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	439431039	OQOLLBCDMVWOSJ-UHFFFAOYSA-N	405.395	5.378	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@@H](CC)c1ccncc1)c1ccc(C(F)(F)F)cc1	441538963	XFCADGMFQXJZDP-PMACEKPBSA-N	405.464	5.900	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cc(C(=O)NC)ccc1C)c1ccc(C(F)(F)F)cc1	442201986	QQWGBVKISVMEQB-SFHVURJKSA-N	419.447	5.202	30	20	HKED	
CC(C)(C(=O)Nc1sc2c(c1C#N)CCCC2)c1csc(-c2cccs2)n1	443458445	WIESNLFCJWNWJT-UHFFFAOYSA-N	413.593	5.600	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]1Cc1ccccc1	443849201	BOCVCOZIKJIZCM-QHCPKHFHSA-N	411.505	5.295	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cnn(C2CCCC2)c1C	445240595	PLEDRDSHHKJYML-UHFFFAOYSA-N	415.497	5.923	30	20	HKED	
Cc1ccc(-c2ncccc2NC(=O)CSc2nc(C)c(C)c(C)c2C#N)s1	446605368	LYPAXXVBRKCALL-UHFFFAOYSA-N	408.552	5.041	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1	446852982	RZLKKWZSBBAMBP-ROUUACIJSA-N	408.571	5.421	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1	462121989	QWXMCPOOINCOJG-INIZCTEOSA-N	412.468	5.302	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1	463256812	GACVAIOEIWNZMO-NSHDSACASA-N	407.695	5.115	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	464228425	CJCXTYPQRSOHJB-AOMKIAJQSA-N	404.441	5.093	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CCC[C@@]12CCCCO2	468642763	LZANLCCLNHLFQH-RXVVDRJESA-N	416.930	5.152	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2cccs2)cc1	469159353	VJQDIWYIYZLGBC-SFHVURJKSA-N	415.562	6.171	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C	476079424	JUNLKZYYGWKXTH-UHFFFAOYSA-N	421.972	6.176	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1c(Cl)cccc1Cl	479945823	CPCWELHEAHNBEO-ZDUSSCGKSA-N	409.338	5.429	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3ccc(C#N)cc3F)CC2)n1	483491085	OHUOWEOZNJWSTR-UHFFFAOYSA-N	407.514	5.209	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CSc1ccc(C#N)cc1	484413570	DIEOCVWHOIBBGK-GOSISDBHSA-N	402.519	5.738	30	20	HKED	
CC(=O)N(c1nc(CSc2ccc(C#N)cn2)cs1)c1c(C)cc(C)cc1C	495278930	XTQDAHQKNIBZCV-UHFFFAOYSA-N	408.552	5.312	30	20	HKED	
CCCc1c(NC(=O)c2sc3ccc(C#N)cc3c2C)cnn1-c1cc(C)ccn1	499827554	KDNZVJUAHXXEGM-UHFFFAOYSA-N	415.522	5.175	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	501021277	VXDBFLFMLRISIS-UXHICEINSA-N	410.395	5.507	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc2ccc(Cl)cc12	502050673	NWZNRSOKPHNGNA-ZDUSSCGKSA-N	400.956	5.988	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(Cc2ccccc2)c1	502746581	HOPSNQGDIRNNEO-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	503225507	MODDZJZVLOMAFS-UHFFFAOYSA-N	403.438	5.320	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C#N)cc1	505326964	YFIORJRDBHKKIJ-AOMKIAJQSA-N	414.896	5.750	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCOc2ccccc2)cc1	505617306	FAJLTLJYZQEBHX-UHFFFAOYSA-N	402.450	5.157	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1NC(=O)Nc1ccccc1	505658147	FYXPEMYWEMUAPW-OAQYLSRUSA-N	418.884	5.287	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN(CCC#N)Cc1cccnc1	505873001	UIENBBBLDAAMNS-UHFFFAOYSA-N	407.949	5.134	30	20	HKED	
N#C[C@H](NC(=O)CCCCc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1	505959022	DAHJWODKOQXXOV-KRWDZBQOSA-N	417.456	5.409	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	506637793	VHLDKTPOUYDSJP-UHFFFAOYSA-N	403.457	5.298	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C)c1c(C)noc1C	506655566	XXHOWBBUZXXBNX-HNNXBMFYSA-N	404.470	5.189	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccco1	508270809	YETBKIAPBIMMPR-QFIPXVFZSA-N	419.481	5.479	30	20	HKED	
C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@@H](c2nccs2)C1	508467026	WQJCIHNGEYNREK-OAQYLSRUSA-N	415.566	5.049	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1Br)[C@H](C)c1ccc(C#N)cc1	509563491	HITXRNOHPUAQPJ-HZPDHXFCSA-N	415.331	5.006	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	511748850	VJPFVTGYPWRZIP-CQSZACIVSA-N	423.419	5.508	30	20	HKED	
Cc1cc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)n1CC(F)(F)F	512249941	AJFODDMNQGSVCZ-UHFFFAOYSA-N	412.411	5.468	30	20	HKED	
C=CCc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(OC)cc2)c(OC)c1	514475550	RNJZEEXCDOYSRR-UHFFFAOYSA-N	423.534	5.106	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc2c(s1)CCCC2	514484452	QAKLFIYOPDQGDN-UHFFFAOYSA-N	415.971	5.632	30	20	HKED	
CC[C@@H]1CCCCN1C(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	517460785	VKBLMXMWTUEWMI-GDBMZVCRSA-N	413.509	5.303	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3-c3ccccc3)n2)cc1	517800810	JYEDSNXTMDOLTL-LJQANCHMSA-N	400.459	5.569	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C	521441013	VMOJCHSLPMXUBL-HXUWFJFHSA-N	405.542	5.230	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1	522591466	KBONKVURXPWYBP-UHFFFAOYSA-N	415.474	5.470	30	20	HKED	
N#Cc1c(NC(=O)CCc2ccnc3ccccc23)sc2c1-c1ccccc1CC2	522966762	YSDCEXUZGFVPGN-UHFFFAOYSA-N	409.514	5.505	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	524131180	HBROXCGLBCVUIV-HSZRJFAPSA-N	400.482	5.669	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1	524380792	YODUPWMJEDSXRK-MOPGFXCFSA-N	400.478	5.413	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	525133098	FZUIGXHPXYMFJZ-CSMYWGQOSA-N	405.350	6.130	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cnc(C4CCCCC4)s3)ccc21	527043576	SSKCLSNJVZHXIS-UHFFFAOYSA-N	408.571	5.386	30	20	HKED	
Cc1ccc(OCCCC(=O)Nc2ccc(CNCc3cc(C#N)cs3)cc2)cc1	531356388	FIPDCGOXZYSJKA-UHFFFAOYSA-N	419.550	5.016	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1	533920524	KRPNXMLNJPZIIE-LJQANCHMSA-N	420.534	5.094	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(C#N)c(Cl)c1	535121580	MYMFMSYNFZDMQV-UHFFFAOYSA-N	402.306	5.655	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	537564545	YSAHRRYSPRRXLK-HNNXBMFYSA-N	408.317	5.078	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1	539600886	SFZADEKDEUMCRF-OAQYLSRUSA-N	402.586	5.009	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)n1	540745221	MEOIJFFYOLOITG-QGZVFWFLSA-N	419.510	5.144	30	20	HKED	
C[C@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541998518	SSJLVOMERRJQCC-YCRPNKLZSA-N	403.507	5.024	30	20	HKED	
Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	553393350	MSXUYSFCIIZGCE-IBGZPJMESA-N	422.872	5.063	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(F)ccc1Oc1ccccc1	554429356	FOONEEHSLGKFBN-UHFFFAOYSA-N	410.445	5.314	30	20	HKED	
Cc1ccccc1C(NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1C	554595943	IJBJCACBVYCBBB-UHFFFAOYSA-N	424.548	5.055	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccc(Cl)cc1Cl	556191329	YGBZWGAGQPEPLM-JTQLQIEISA-N	424.353	5.040	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)c1	589738928	FIOCSQDZZUNUBZ-UHFFFAOYSA-N	417.509	5.453	30	20	HKED	
N#Cc1ccc(Sc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)nc1	602374653	RHMQIZFEKFBJBY-UHFFFAOYSA-N	407.861	5.145	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC	603622242	PCIOOYFYZMWYNN-UHFFFAOYSA-N	417.465	5.185	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccc(C(C)C)cc3)o2)c1C#N	608930155	OKSVKAUGHMCFMA-UHFFFAOYSA-N	415.522	5.518	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)Nc3sc(C)c(CC)c3C#N)cs2)cc1	609032622	VTJOIIZMURLOGD-UHFFFAOYSA-N	411.552	5.194	30	20	HKED	
CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c(C#N)c1C	609033589	TULCRIDJWAZZLH-RYUDHWBXSA-N	423.321	5.154	30	20	HKED	
N#Cc1cccc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)c1	609063136	ZZQVFOKDTOHSNA-UHFFFAOYSA-N	420.394	5.227	30	20	HKED	
Cn1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C2CCCCC2)n1	609176761	XWHHBZCVPNCMPS-UHFFFAOYSA-N	400.482	5.384	30	20	HKED	
COC(=O)[C@H](Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccc(Cl)c1	609804072	BBDFLGXRFFVWMY-JOCHJYFZSA-N	422.868	5.339	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H](CN4CCCCCC4)C3)c2)cc1	609988081	JDBXMRWFIRSZDB-JOCHJYFZSA-N	416.569	5.030	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610094063	FRPBKRSOFVTAKK-OAQYLSRUSA-N	401.470	5.146	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)C1	612318021	FZXPNNNYSGZAAN-JOCHJYFZSA-N	421.888	5.233	30	20	HKED	
CN1[C@H]2CC[C@H]1CC(c1noc(-c3ccc(Sc4ccccc4C#N)cc3)n1)C2	612954139	CDOYLPAUMKMKPV-OALUTQOASA-N	402.523	5.100	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(OCC)cc2)cc1OC	672818108	NYHTXJQXHAPYOI-OAHLLOKOSA-N	420.347	5.272	30	20	HKED	
Fc1ccc([C@H](NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cnccn2)cc1	680337638	YVSDUBVZPYYIGD-XNJGSVPQSA-N	421.360	5.204	30	20	HKED	
C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nc2ccccc21	682116323	KTPHQHXSNQOVPR-UHFFFAOYSA-N	416.428	5.182	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1nc2ccccc2n1C(F)F	726449681	BHQAYZPMFLNGKN-SNVBAGLBSA-N	405.861	5.004	30	20	HKED	
C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(-c3cccc(Cl)c3)cc2C)c1	726848356	IQDCJYJMRVCROF-UHFFFAOYSA-N	417.896	5.057	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ccc(-n2cncn2)cc1	727655287	VBGIWBDMKKBOAS-WCIBSUBMSA-N	406.898	5.249	30	20	HKED	
Cc1cccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C	728052825	OFRDSIKNDKMWCU-UHFFFAOYSA-N	419.912	5.458	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)sc2c1	729187561	FCVDDNGDOLJFLJ-KRWDZBQOSA-N	418.905	5.978	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1csc2ccccc12	729962131	ROJDJFDHWBKJAU-HNNXBMFYSA-N	402.475	5.436	30	20	HKED	
N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1nc2cc(F)ccc2s1	730420850	HNASXQJNKLQJKI-LBPRGKRZSA-N	413.524	5.404	30	20	HKED	
COc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	730954528	BIVOMZWGVJJJSV-UHFFFAOYSA-N	411.474	5.529	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3ccccc3SCCC#N)c(F)c2)cc1	730982025	HVBAYNKQGSOXNB-UHFFFAOYSA-N	406.482	5.759	30	20	HKED	
COc1ccc(O)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	734063094	WKKAZLYOEGPDPA-HXUWFJFHSA-N	421.884	5.031	30	20	HKED	
C[C@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nnc(-c2cccs2)o1	738750129	VRJMGPADPHQJQR-AWEZNQCLSA-N	416.462	5.331	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1	740435227	MLBVDWYFFYUSOM-BJKOFHAPSA-N	413.477	5.154	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	744027620	AEBJGKRPJKIHJY-KFWWJZLASA-N	407.684	5.098	30	20	HKED	
CC#CCOC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1	744553634	OTKFVECYWKTNKZ-UHFFFAOYSA-N	412.561	5.136	30	20	HKED	
C[C@H](Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1)C(=O)O	746684522	RTIUOKGEMYWUKI-HBWSCVEGSA-N	423.446	5.071	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCCOc2ccccc2Br)n1	747199646	ZOZJFWPSNCMXMX-CYBMUJFWSA-N	407.333	5.064	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(C)cc(C(F)(F)F)c2)ccc1OC	753237266	AONVKQVKLMBMBA-QGZVFWFLSA-N	421.419	5.025	30	20	HKED	
N#Cc1c(F)ccc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCCC4)c1Cl	761480204	ZWWOTBAYLNESLK-GHXNOFRVSA-N	420.296	5.677	30	20	HKED	
CC(C)CN(Cc1ccccc1Br)C(=S)Nc1ccccc1C#N	764526017	KKRPGVBVJCKFTP-UHFFFAOYSA-N	402.361	5.176	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c(F)cccc1F	764563251	XJUTVOYFFVTRAA-KOLCDFICSA-N	410.367	5.573	30	20	HKED	
FC(F)(F)C1CCC(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)CC1	767366013	CXRYCZAPJNJAKH-UHFFFAOYSA-N	423.291	5.743	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](c4c(F)cccc4F)C3)cn2)cc1	769227733	JDRXREFJMIBVIV-INIZCTEOSA-N	420.419	5.045	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)nn1-c1ccccc1	772552518	WQMXSCGWHQILHQ-OAQYLSRUSA-N	422.488	5.110	30	20	HKED	
N#C[C@@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F	778606332	GCJDCVUQPMNACE-INIZCTEOSA-N	413.399	5.190	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(C#N)cc2F)cc1OC	781106397	BGEGDMJGXJSDLG-ALCCZGGFSA-N	418.262	5.153	30	20	HKED	
CC(C)(C#N)CNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1	782102223	XWEIREWQCMXQQM-UHFFFAOYSA-N	413.477	5.011	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCC=CO1	783635278	FBFZXTIGHXPBEU-NEPJUHHUSA-N	421.259	5.137	30	20	HKED	
CC[C@@H](CC#N)OC(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12	787089960	TYDBPRJVMKFBTR-INIZCTEOSA-N	406.482	5.020	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1	788744768	WJEKLOLWIPWUNW-CYBMUJFWSA-N	410.380	5.087	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	789458092	YJQUXUZWFWAYHW-UHFFFAOYSA-N	415.578	5.307	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\C(=O)c3cccc(Br)c3[C@@H]2C)cn1	792882821	AZWGTTZKEBNGOE-OMJMQIJPSA-N	421.294	5.298	30	20	HKED	
C[C@H](Oc1ccc(C=O)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	795250041	GFAGUQUPIWDTBM-AOMKIAJQSA-N	418.880	5.214	30	20	HKED	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)cc1Cl	795921516	HTARUOCXDZWDKZ-ZDUSSCGKSA-N	416.930	5.004	30	20	HKED	
COc1cc2c(cc1F)C/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O	798371114	HOACHSCSZBAIHH-SXGWCWSVSA-N	422.481	5.106	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCCCC3(C#N)CCOCC3)c2c1	800112062	ZUBJMUDYRSIVRU-UHFFFAOYSA-N	414.505	5.468	30	20	HKED	
C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(F)(F)CC1	800776939	FFXTUKADLSDUPO-HNNXBMFYSA-N	410.896	5.110	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C)(C#N)CC1	802563093	IZLRNBKZOXBCFM-UHFFFAOYSA-N	414.557	5.059	30	20	HKED	
N#CCc1cccc(C(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c1	804576574	NAAPGPFNIRCHQJ-QGZVFWFLSA-N	406.700	5.075	30	20	HKED	
N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cc(C(F)(F)F)ccn1	813218254	NBJUQFPUCNSFLH-CQSZACIVSA-N	419.790	5.218	30	20	HKED	
CC(=NOCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2n1C(F)F	813876816	ZGGRHYPITQKCDQ-UHFFFAOYSA-N	416.815	5.681	30	20	HKED	
N#CCCC[C@@H](NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1	814209394	AEVMXGKHLKWHCA-HSZRJFAPSA-N	401.535	6.200	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2ncc(-c3ccccc3)o2)cc1OCC	826122008	WTEACZGMTNTDNM-UHFFFAOYSA-N	414.889	5.733	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(OC(F)(F)F)cc2)cc1	914773671	QBISYIHQANKYPB-UHFFFAOYSA-N	408.424	5.295	30	20	HKED	
Cc1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C)c1OC(F)F	914796223	ZADANSLAHKBDOU-CHWSQXEVSA-N	419.356	5.904	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2C)c1	915085117	GNHOMMUEDWRNMB-XMMPIXPASA-N	406.489	5.397	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2c1C	916942376	KGNSIZHDOOPQGF-QGZVFWFLSA-N	400.265	5.053	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1-c1ccc(F)cc1	917039806	DKKIIUSESNAMRI-GOSISDBHSA-N	422.410	5.468	30	20	HKED	
Cc1ccccc1OCCCN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	918035914	OBLKXUCIIHQBNN-XMMPIXPASA-N	413.521	5.583	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)c1	920105320	BIPBKINHSHDEKG-LJQANCHMSA-N	413.502	5.043	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3coc4cc(C)c(C)cc34)n2)cc1	920138790	JOYMGNZDIKREDT-HXUWFJFHSA-N	416.502	5.601	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)CC1	1826316732	LHUVZFPMYNUOKH-NKKJXINNSA-N	410.602	5.012	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccc1	7439773	JUKSZQLIMXKGIJ-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1F	23273022	LZLDKDMOMHTYOC-PKNBQFBNSA-N	413.452	5.037	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	41497942	QBLOVAYFWCRADI-OAHLLOKOSA-N	407.495	5.281	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	55312785	YBSMERMOANIROO-UHFFFAOYSA-N	411.461	5.072	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	55327240	OWACLSQFDKOEAE-INIZCTEOSA-N	419.506	5.182	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	56913008	MHVTZCYFDCPXAW-IBGZPJMESA-N	419.500	5.259	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cc1	58535494	SVHFEDOJGCJKGK-UHFFFAOYSA-N	403.526	5.078	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc2ccccc2o1	63236145	IOQCISLIRDKZGM-HXUWFJFHSA-N	404.429	5.171	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2sc3cc(F)ccc3c2Cl)cc1	104861639	PRTVWUCJLXSGGB-UHFFFAOYSA-N	402.878	5.653	30	20	HKED	
N#Cc1ccc(OCC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1	107651427	ULTUUCWINLQFOR-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1	303288887	AKFAZHLDBKCSAY-UHFFFAOYSA-N	418.497	5.183	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	303847269	MWCBSDNGAASBMF-HUUCEWRRSA-N	406.473	5.774	30	20	HKED	
Cc1c(-c2nc([C@@H](NC(=O)c3ccccc3)C(C)C)no2)sc2ccc(C#N)cc12	426593396	NKMYKRJBFAFTHP-IBGZPJMESA-N	416.506	5.259	30	20	HKED	
Cc1cc(CN(C(=O)c2cccc(SCC#N)c2)C2CCCC2)c2ccccc2n1	431025430	SULYCRUHVBTZSM-UHFFFAOYSA-N	415.562	5.744	30	20	HKED	
C=CCC(C)(C)C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12	431682898	BHPJBMUGYBGSLG-HXUWFJFHSA-N	420.553	5.426	30	20	HKED	
COc1ccc(C#N)cc1CSc1nnc(-c2ccccc2C)n1Cc1ccco1	435129927	NLRXEYUBTIQTRQ-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	435996007	OMBBNKHBUBDVCA-NRFANRHFSA-N	416.550	5.293	30	20	HKED	
N#Cc1cc(N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)nc2ccc([N+](=O)[O-])cc12	439132879	QPGWNOLOIVGCGR-QFIPXVFZSA-N	424.464	5.136	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1C	440451828	MJOCDQCDCHRKMT-UHFFFAOYSA-N	409.374	5.582	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccc(C(F)(F)F)cc1	442269383	FWQYGYVXKIJSOG-FQEVSTJZSA-N	405.464	5.728	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Br)s1	443313793	JTZGXKFKBUYGKE-CYBMUJFWSA-N	406.349	5.065	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)s2)cc1	443856964	OHOKQNSYUBKSPP-UHFFFAOYSA-N	417.515	5.671	30	20	HKED	
CC1CCN(C2CCC(NC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)CC1	443946792	ZDLKDWNMIOLIJR-XEVCZEQESA-N	414.619	5.245	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl	447317143	BOPZNUFVQQKIGT-ZIAGYGMSSA-N	422.381	5.534	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(c3ncc(C#N)cc3Cl)C2)n1	447690790	LLJFCHKTFVQLDK-HNNXBMFYSA-N	410.930	5.123	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCSc4ccccc43)cc2)c1	460177892	UIVYDVKVJNYORA-QFIPXVFZSA-N	400.503	5.355	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccsc1	460552275	AAJBHUQJYLJBFD-BDTNDASRSA-N	420.582	5.502	30	20	HKED	
CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	463578809	QVPWTYFIYOIBEE-YKSBVNFPSA-N	406.526	5.256	30	20	HKED	
C[C@H](C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1cccc(C#N)c1	463941900	FOLMMXYNDOCREZ-SCLBCKFNSA-N	415.356	5.120	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	464657465	CEEUZVRZPFBUOI-UHFFFAOYSA-N	411.383	5.520	30	20	HKED	
COc1ccc2ccccc2c1CN(C(=O)NCc1cccc(C#N)c1)C1CCCC1	465519288	KEBMHSHHZJNYNV-UHFFFAOYSA-N	413.521	5.374	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccncc1	466608628	PVECGVXZEXBWOK-CYBMUJFWSA-N	424.917	5.083	30	20	HKED	
CC[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1nc(C(F)(F)F)cs1	466692601	CLBIRAURCLITOA-HRCADAONSA-N	422.476	5.094	30	20	HKED	
Cc1ccc(C)c([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	474223176	MPIYKXAXDKZERH-XMSQKQJNSA-N	407.583	5.331	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(Br)cn1	475247505	OYJWAVBQNTUWRX-LLVKDONJSA-N	414.756	5.018	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1Br	478739683	LMERGHNWKCNWMS-CRAIPNDOSA-N	418.722	5.406	30	20	HKED	
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	480124628	HEXLWLQYLACMRX-HNNXBMFYSA-N	406.873	5.624	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccc(Cl)c1	481365956	BBBFCHNOUZHXFP-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482387591	CQTGJFYWAFXZBD-SFHVURJKSA-N	411.374	5.060	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cc2ccccc12)c1cnc2ccccc2n1	483192717	DTLKJPLMNKIZSN-KRWDZBQOSA-N	402.251	5.036	30	20	HKED	
CC(C)COC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccco1	483673663	SBWQMTSBUXXQTF-QFIPXVFZSA-N	404.466	5.087	30	20	HKED	
Fc1ccc([C@@H](NCc2nc(-c3cccc(C(F)(F)F)c3)no2)C(F)(F)F)cc1	484878926	UXWCYAKDYQJGEA-OAHLLOKOSA-N	419.300	5.288	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c(F)cccc2F)CC1	486495671	FIPWXUVLHSELER-HNNXBMFYSA-N	415.509	5.771	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)s1	487227801	HYQKQTKUAKDPKS-QWHCGFSZSA-N	417.600	5.495	30	20	HKED	
COc1cc(C)cnc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	488225217	VIEUWVSOPDQNIS-CYBMUJFWSA-N	418.305	5.319	30	20	HKED	
C=CCn1c(SCc2cnc3c(cnn3C(C)C)c2)nnc1-c1ccccc1C	488888366	YAPIKYXLURRVEL-UHFFFAOYSA-N	404.543	5.057	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccs1	489435328	UFJONQCLFUFBTR-UHFFFAOYSA-N	422.938	5.106	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1	489827590	MTVUTERYTKVZBX-UHFFFAOYSA-N	412.799	5.310	30	20	HKED	
C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1	489974267	WVTHQXBSPCSSTO-HOYKHHGWSA-N	410.521	5.474	30	20	HKED	
O=C(NCC1CC(F)(F)C1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	490166598	ZIWFBXSZCVUBGD-GFCCVEGCSA-N	404.301	5.043	30	20	HKED	
Cc1[nH]c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2c1C	490652151	USPXROJCXGBDPM-UHFFFAOYSA-N	409.489	5.682	30	20	HKED	
C=CCn1c(SCc2cc(Br)ccc2Cl)nnc1-c1ccncc1	495882034	AVJJCVXXZLVABS-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nc1	497443762	OLCXOSRYBROHOF-ZDUSSCGKSA-N	413.449	5.151	30	20	HKED	
CC[C@H](C)c1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1	502818346	PQVBLKQEPFBGPO-AWEZNQCLSA-N	423.310	5.032	30	20	HKED	
COc1ccc(CNc2cnc(N3CCCC[C@H]3C)c(C)c2)cc1OCCCC#N	502883194	MWFFDFPVAYUPEY-LJQANCHMSA-N	408.546	5.072	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccncc1)Cc1cccnc1	503215483	HSJDDNQQCZYWEE-GOSISDBHSA-N	417.538	5.105	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3csc(-c4ccc(Cl)s4)n3)CC2)cc1	503979975	MFLZYHUTDCGFRP-UHFFFAOYSA-N	411.939	5.326	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	505001101	OJHILLKFNBGZDW-GOSISDBHSA-N	424.520	5.010	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(Cl)c1Cl	505307468	FVFBTNOYDBUQHR-HNNXBMFYSA-N	401.215	5.483	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccnc2ccccc12)c1ccc(OCc2ccccc2)cc1	505336177	AFEZZMBSNHCNRH-SANMLTNESA-N	421.500	5.127	30	20	HKED	
N#CC1(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)CCCCC1	505391540	HEGIYMAIXUPLOK-UHFFFAOYSA-N	406.873	5.488	30	20	HKED	
COCc1c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)sc2cccc(F)c12	505540664	QQUIEQUQUXJIBU-CQSZACIVSA-N	423.296	5.488	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(Cl)c(Cl)c1	505934421	ZGONMMANYXXHHW-MRXNPFEDSA-N	401.215	5.483	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCc1nc(COc2ccc(F)cc2)no1	510208516	NGTDBKQWHVQVPE-UHFFFAOYSA-N	418.453	5.014	30	20	HKED	
COc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	510692781	ILUJMRMXCVBONJ-UHFFFAOYSA-N	415.493	5.456	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1	511694820	HDHWIOLRICGXMI-SFHVURJKSA-N	423.541	6.548	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](C)c1c(C)noc1C	513778654	QUZNLTUFLPSBHI-INIZCTEOSA-N	403.482	5.183	30	20	HKED	
Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	515709278	KEGBFTDNYZIIGQ-UHFFFAOYSA-N	408.889	5.287	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1cccc(Oc2ccccc2)c1	518263014	ILTSOISVFWCFRM-GOSISDBHSA-N	417.534	5.924	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1	518753716	ZCSUJHGWPROMNO-AEFFLSMTSA-N	414.600	5.101	30	20	HKED	
Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)c1Cl	519401006	AHKSPRQXYHNJRA-NSHDSACASA-N	415.367	5.354	30	20	HKED	
Cn1cc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21	520959155	GNCNORODDNDEEQ-QFIPXVFZSA-N	413.908	5.668	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	521326633	AQGYEIGLFABAOO-KBPBESRZSA-N	401.513	5.108	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4[nH]c(-c5ccco5)nc4c3)cc2)nc1	521370681	CRJXPGLSWCTOOG-UHFFFAOYSA-N	421.416	5.134	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	521733519	HWLVOEWCXSGQMY-UONOGXRCSA-N	423.460	5.276	30	20	HKED	
CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	522308124	ZMCNUWJELARDRZ-NSHDSACASA-N	417.745	5.290	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1	522779173	QBCBKFAJOJUNIA-UHFFFAOYSA-N	404.514	5.731	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1	530343691	QDXXGPRRDJNGGU-UHFFFAOYSA-N	416.197	5.009	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)c1cnn(C(C)C)c1)c1ccc(C(F)(F)F)cc1	532726042	MUFDERSQMDOWBP-KXBFYZLASA-N	408.468	5.551	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	535210594	IRDNHPDIBRHSRB-SFHVURJKSA-N	418.566	5.595	30	20	HKED	
CCSc1ccc([C@@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	538202236	WMGLANAPMOMVRU-IAGOWNOFSA-N	413.612	5.482	30	20	HKED	
COCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	538535638	TWAMGIDSDYIGBB-INIZCTEOSA-N	416.443	5.110	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2ccccc2OCc2ccncc2)cc1	539105650	SGEQZYRELKSPMQ-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	539282394	ONYGXCZFSBLQCQ-AWEZNQCLSA-N	414.481	5.734	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCO[C@@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	539552737	RXPDTZIZEHDBPN-GXTWGEPZSA-N	411.354	5.451	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2ccc(CC#N)cc2)c1	542360907	NVRGUALREJBIQZ-LOSJGSFVSA-N	411.505	5.524	30	20	HKED	
C[C@@H](NC(=O)CCSCc1ccccn1)c1ccc(-c2cccc(C#N)c2)cc1	542989167	OSNSWYXECRAQIS-GOSISDBHSA-N	401.535	5.121	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)c1	543618831	XIFMGUCRNSMMQQ-AHWVRZQESA-N	416.496	5.286	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)s1	544221186	NYXYMISBUSPMFF-CQSZACIVSA-N	420.332	5.150	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	549047723	CNBUZDLNHCFDAU-VGSWGCGISA-N	415.493	5.370	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21	553665090	JLJQCTJSIZUGJH-CZUORRHYSA-N	417.987	6.093	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2ccccc2)cc1C	554118518	UBEBXJCKLYWDSF-UHFFFAOYSA-N	402.542	6.050	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4nc(C(F)F)sc4c3)cc2)nc1	560790205	QWQNEGWIGOIVPO-UHFFFAOYSA-N	422.416	5.545	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)o1	562108266	DQHZPSBRVAJSLS-ZHRRBRCNSA-N	416.481	5.652	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1	564545318	KSEXUPFQCFFYFZ-YKSBVNFPSA-N	414.530	5.217	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3nc(-c4ccc(Cl)cc4)no3)cc2)ccn1	568703065	JCYKQLDZKXCDIY-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1cccc(Cl)c1	579649830	KFUCWEJPAITFAT-LJQANCHMSA-N	424.932	5.143	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1	582838422	LLRIDSMJOKREOI-UHFFFAOYSA-N	402.328	5.223	30	20	HKED	
O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)Nc1cccnc1C(F)(F)F	583717122	FICFEJHYHAFCPO-UHFFFAOYSA-N	421.316	5.112	30	20	HKED	
CC(C)C[C@H](C#N)NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	588952565	SWIXRMKLUNDSPI-GFCCVEGCSA-N	410.370	5.449	30	20	HKED	
CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	594418291	VJIOWTRFQCMASQ-AWEZNQCLSA-N	416.930	5.344	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	598773382	QALVFTGUXVPJIW-HNNXBMFYSA-N	403.507	5.340	30	20	HKED	
Cc1ccc(F)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	603758599	SZHNRNBLTPXFSD-UHFFFAOYSA-N	419.403	5.324	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOC2CCCCC2)cc1Cl	604084732	GDODPCYYTQWTOY-NRFANRHFSA-N	411.933	5.466	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2c(F)cccc12	609378589	XIUMORCRAARGOO-UHFFFAOYSA-N	422.403	6.157	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1	609402042	WPDZDDFTGYCTHH-KRWDZBQOSA-N	416.550	5.741	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1N1CCCC1	609439088	XXBIXGJYFFCPEV-GOSISDBHSA-N	408.571	5.345	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1	609498992	GHIAROLTLNMISB-UHFFFAOYSA-N	401.466	5.278	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(F)(F)F)cc3)n2)cc1	613317994	CMGQQTGUGSHKJA-KRWDZBQOSA-N	416.424	5.550	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1	616129733	HOXQHCFOMVKKDT-UHFFFAOYSA-N	423.538	5.232	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)c2ccccc2c1)c1cnc2ccccc2n1	645972816	MBPCCHQPWOKETE-MRXNPFEDSA-N	402.251	5.036	30	20	HKED	
CC(C)(C)c1ccc(N2CCC(NCc3cccc(OCCCC#N)c3)CC2)cc1	726797055	XRSPMCVIPXAYPA-UHFFFAOYSA-N	405.586	5.425	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccc(OC(F)F)cc1OC(F)F	728157035	RFMADJSIBWDICG-TWGQIWQCSA-N	418.346	5.243	30	20	HKED	
O=C1/C(=C/c2csc(-c3cccs3)n2)COc2ccc(Br)cc21	728440719	SPRPERZSTFACNI-UXBLZVDNSA-N	404.310	5.293	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](c3ccccc3)C(C)C)n2)cc1	728769743	JFLYXQYSXYJIRW-RTWAWAEBSA-N	404.535	5.825	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cnn2ccccc12	730149453	XHDOKQAOEVASSK-MDZDMXLPSA-N	424.323	5.425	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2SC(F)F)ccc1OC	733615710	BFGGFGWZVPKJGM-AWEZNQCLSA-N	421.469	5.013	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)ccc1OC	733657677	XTRHIERODCMWIL-SFTDATJTSA-N	413.562	5.021	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1	739155498	QUTYCQADNPDEGN-DOMZBBRYSA-N	408.807	5.200	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)ccc1OCC#N	741841996	IZMLLOHHUQFQRK-KRXBUXKQSA-N	407.413	5.148	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1C(F)(F)F	741924063	BMWKVKHNCOHSEL-SEWDUPMJSA-N	404.457	6.142	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	743093574	VWSOLJJECLWJLG-MQVPCNEGSA-N	413.496	6.096	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCCOc2cccc(Cl)c2Cl)cc1	743449805	VBGSZQIXANCRCM-MRXNPFEDSA-N	419.308	5.062	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	747843115	LXYHYUAQEHULMY-DAYGRLMNSA-N	411.958	5.250	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)ccc1OCC(F)(F)F	750908418	GLADFRCMIMYXTC-CSKARUKUSA-N	416.399	5.108	30	20	HKED	
Cc1c(C(=O)/C=C\c2cnc(-c3ccncc3)s2)cnn1-c1cccc(Cl)c1	753142871	AVGXKMINAUWTNM-WAYWQWQTSA-N	406.898	5.249	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C(C)=C/c1cccc(Cl)c1	759206289	LVANCXMIGVWPOZ-UDYBNVKDSA-N	417.292	5.061	30	20	HKED	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC(CC(F)(F)F)C1	760081317	ZFPINUWFZCNVQN-OWOJBTEDSA-N	405.260	5.148	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3cc(C)n(CCC#N)n3)c3ccccc3n2)c(C)c1	768052197	AOFBWEDKKDULAW-UHFFFAOYSA-N	409.493	5.190	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc(=O)oc4c(C)c(C)ccc34)o2)cc1	768460383	ATKVZQWBFCCCLA-UHFFFAOYSA-N	420.490	5.317	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Cl)c1	769861390	ACWRQOQKYWKZKH-JOCHJYFZSA-N	420.896	5.273	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2cccc(Br)c2)ccc1OC	772987869	YSFHKRIFUQYXCD-RBUKOAKNSA-N	417.347	5.380	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1cccc(-c2ccncc2)c1	774129282	DTJNWGSGGWXSOP-KTKRTIGZSA-N	411.910	5.092	30	20	HKED	
C=C[C@@H](CC)OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	776104180	MVLXCJWBMZSPTR-ZFWWWQNUSA-N	414.552	5.193	30	20	HKED	
C#CCSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1	776232961	VMIZYQDVCOKLHZ-PDGQHHTCSA-N	401.318	5.412	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2ccccc2F)s1	777115834	RMHUYLYPMFMLNP-MRXNPFEDSA-N	421.541	5.560	30	20	HKED	
Cn1cc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(-c2ccccc2)n1	779595222	FTNNWDCIWPJZQR-UHFFFAOYSA-N	412.468	5.289	30	20	HKED	
CCN(CC)[C@H](C(=O)Nc1ccccc1O[C@H](C)C#N)c1cccc(C(F)(F)F)c1	780179465	ZFQYOTXLEYJRSF-QRWLVFNGSA-N	419.447	5.018	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OC1CCCC1	780671970	XXMCXFKWTQJAJR-IRXDYDNUSA-N	423.513	5.190	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N	780679219	AHUNXDRSKCSLID-UKRRQHHQSA-N	424.501	5.431	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1CN(C)C1CCCCC1	780681899	RTTVWGJFYABDQH-IBGZPJMESA-N	420.557	5.064	30	20	HKED	
Cc1cccc(Cl)c1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	790767676	IFXBGCWOODGFEW-CYBMUJFWSA-N	402.853	5.469	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)cc1	796801211	WDSVPXPTKBHPIK-XMMPIXPASA-N	419.484	5.425	30	20	HKED	
N#CC1(CCCOC(=O)c2ccccc2OCc2ccc(Cl)cc2)CCOCC1	800081837	OTUTWGLRDORSEC-UHFFFAOYSA-N	413.901	5.176	30	20	HKED	
N#CC1(CCCOC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCOCC1	800096784	HNJMIEMTXSQMGJ-UHFFFAOYSA-N	417.427	5.630	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	806204481	LMCVKCIIWWISDJ-HSZRJFAPSA-N	411.505	5.003	30	20	HKED	
CC(C)n1cc(/C=C\C(=O)c2ccc(-c3ccccc3Br)s2)nn1	806571325	GZVVUNDMYWZGJH-FPLPWBNLSA-N	402.317	5.246	30	20	HKED	
C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)c1nc2cc(C(F)(F)F)ccc2n1C	808659624	SVVZFNRMFGKVEU-SNVBAGLBSA-N	407.779	5.035	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1c(Cl)nc(Cl)n1-c1ccccc1	814888444	ZZGPQYKUAKLWME-UHFFFAOYSA-N	400.187	5.611	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)n1	817319235	MGSMLZNATORPCH-OAQYLSRUSA-N	421.591	5.909	30	20	HKED	
Cc1ccc(-n2c(=S)n(CN(CCC#N)Cc3cccnc3)c3ccccc32)cc1	915794863	PLAUFEQMKGYUPX-UHFFFAOYSA-N	413.550	5.238	30	20	HKED	
Sc1nnc(-c2cccs2)n1N=Cc1ccc(-c2nc3ccccc3s2)o1	916314291	UFVKDAJKPQGRIQ-UHFFFAOYSA-N	409.521	5.047	30	20	HKED	
CC(C)NC(=O)[C@H](C#N)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1	916945361	OUYYOSCSSITJHA-MRXNPFEDSA-N	421.349	5.133	30	20	HKED	
CCCCOc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC	917644829	MSMWRYNBRZNGGU-MOSHPQCFSA-N	424.547	5.152	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	918492111	MFWYTYWYNCYXAS-NHYWBVRUSA-N	406.404	5.824	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccccc3Cl)n2)cc1	920141851	MTJFZFAAPBVUFM-HNNXBMFYSA-N	409.923	5.304	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3CC)CCC2)cc1	1789452907	FHGALXJRPMTBDE-OAQYLSRUSA-N	417.553	5.160	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1	1826279040	ARHHGFHKTKFPEQ-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2C)CC1	1827806403	TZXURQMSWLXEHL-NRFANRHFSA-N	416.631	5.282	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1828823638	VXALDVOYMUYJCR-JWQCQUIFSA-N	422.613	5.007	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3)o2)nc2sc(C)c(C)c2c1=O	6111420	FCUHRIZWTCVIPH-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(F)cc1	7737012	AAIQYYBYPFUKLA-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccccc2)cc1	10832699	MDMKLCGBQRYULU-UHFFFAOYSA-O	409.962	5.802	30	20	HKED	
Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(C#N)c3)[C@H]2c2cccs2)cc1	15644160	JXBWBXKGABCUAP-REWPJTCUSA-N	415.518	5.051	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1cc(C)ccc1C	22729858	KCTUWHWFQYPTRY-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(C(CC)CC)cc1	22797160	SDOPJYVBUBMQBT-UHFFFAOYSA-O	423.646	5.907	30	20	HKED	
COc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc(Cl)c1OCC(C)C	29151868	PZKDWNHQFZIDKM-UHFFFAOYSA-N	400.906	5.437	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc(-c3cccs3)nc21	33179878	ATPROCRKGODIPU-HNNXBMFYSA-N	415.522	5.103	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	55570304	JDPYZBANDXIOCH-UHFFFAOYSA-N	411.461	5.072	30	20	HKED	
COc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	63641473	NDFQYJVDVDJCFX-KRWDZBQOSA-N	401.466	5.107	30	20	HKED	
COCCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	65104667	KRTXXLZBZYCWPN-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cccc(OCC(F)(F)F)c1	71996711	WTHKIYBKHXTAJE-UHFFFAOYSA-N	419.472	5.288	30	20	HKED	
Cc1sc2nc([C@@H](C)Nc3ccc(Oc4ccccc4C#N)cc3)[nH]c(=O)c2c1C	72030862	HPLKKBRQHPCOBX-CQSZACIVSA-N	416.506	5.439	30	20	HKED	
COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2OCCCC#N)cc1Cl	98070088	PLMCHVDHUDTZLM-UHFFFAOYSA-N	424.884	5.445	30	20	HKED	
COc1ccccc1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	107876199	QUPWJTNNQCJSMG-NRFANRHFSA-N	404.897	5.575	30	20	HKED	
COc1cccc(C[C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	261483972	YSBHADURDIJJQK-QGZVFWFLSA-N	402.519	5.079	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1	303083434	AGTNEIKYVWSASF-UHFFFAOYSA-N	401.397	5.232	30	20	HKED	
COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	427245256	YVKXXTIGBVNTSB-IBGZPJMESA-N	421.840	5.165	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)N[C@H](CCCC#N)c3ccccc3)c2C)c1	433258689	HGZVHRDYXKCBQA-OAQYLSRUSA-N	401.514	5.354	30	20	HKED	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	435104696	SAECEARILQOALW-FPGHNAPASA-N	403.526	5.517	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)Cc1cn(CCC#N)nc1-c1ccncc1	435126795	QYIJMQDTXSJUHC-ROUUACIJSA-N	407.949	5.136	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1	437914131	IOBVWEXIUCSZJC-UHFFFAOYSA-N	419.525	5.583	30	20	HKED	
CCCc1c(NC(=O)c2cc3cc(C)ccc3nc2C)cnn1-c1cccc(C#N)c1	440092878	AIMZCIBBMLEANK-UHFFFAOYSA-N	409.493	5.114	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@H](CCC#N)c1ccccc1)C1CC1	440258545	UQUYFSTWSIQARK-IIBYNOLFSA-N	415.459	5.985	30	20	HKED	
N#Cc1cccc(-c2nnc(CN(Cc3ccccc3F)c3ccc(F)cc3)o2)c1	440322420	CFGPJDCICBEUHK-UHFFFAOYSA-N	402.404	5.093	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1nc(COC)sc1-c1ccccc1	441007981	YARHDTAIKQSKCX-UHFFFAOYSA-N	421.566	5.244	30	20	HKED	
N#CC1CCC(CNC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)CC1	441019432	JTAXXZMVNBUWTH-UHFFFAOYSA-N	411.443	5.006	30	20	HKED	
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	443812804	GDEKMTCIGVMPTH-MMOPVJDHSA-N	423.944	5.019	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1C(F)(F)F	443886361	STSQROQILOLKPF-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Br)cc1	444895582	KHQMWAGXRBOCFA-KGLIPLIRSA-N	418.360	5.584	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)s1	460552841	GXIDFYRNRXEPCP-HXUWFJFHSA-N	408.571	5.282	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1	462243161	AXUHHPGRDOPRMC-CQSZACIVSA-N	411.383	5.507	30	20	HKED	
CCOc1ccc(-n2c(SCCCSCC#N)nnc2-c2cccc(C)c2)cc1	466618657	UJXWLAWQECUHJH-UHFFFAOYSA-N	424.595	5.380	30	20	HKED	
Cn1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccc(F)cc21	468668974	QRYHYXIWFMGTHY-UHFFFAOYSA-N	416.481	5.129	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	468987131	OZJVBUSDINGALW-UHFFFAOYSA-N	424.451	5.055	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(C(F)(F)F)c1	471263098	PMSCLWMYSXLGRV-LBPRGKRZSA-N	421.444	5.310	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc2)c1	473673862	FODKMIHYKQSILT-VWLOTQADSA-N	411.461	5.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](CO)Cc1c(F)cccc1Cl	475547636	KIHUGLUPJPKCFX-MRXNPFEDSA-N	418.940	5.304	30	20	HKED	
CCc1cnc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	475666114	HHCAZIXLUNUPMJ-LJQANCHMSA-N	424.957	5.678	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1	482763105	PUWSDUWPZFEQJL-UHFFFAOYSA-N	400.526	5.143	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12	483198536	MVCQPZHEKPURKO-MRXNPFEDSA-N	405.429	5.435	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1	487214454	ZFLWSAPUYCVEQQ-VWLOTQADSA-N	409.489	5.710	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2nc(C)c(-c3ccccc3)[nH]2)c1C	488251876	RWRLLWGJUFFNNF-UHFFFAOYSA-N	404.539	5.041	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1cccs1	489446933	JCEDPCOZTWUELP-NSHDSACASA-N	401.542	5.157	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C	491023495	QXPMBUAHSNFUOO-FQEVSTJZSA-N	424.463	5.276	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1ccc(F)cc1F)C(C)C	499743681	QIEZOCXAKSKSFH-NRFANRHFSA-N	404.505	5.227	30	20	HKED	
CCSc1ccc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1	504720607	KETZDWRAGGQFIS-INIZCTEOSA-N	406.507	5.333	30	20	HKED	
COC(=O)c1ccc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	505844990	JHQDVRMCHXZIRS-HNNXBMFYSA-N	409.301	5.024	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2cccc(CSc3ccccn3)c2)c(OC)c1	512602961	SPAQSURVQAKGFE-UHFFFAOYSA-N	420.534	5.129	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc(C)cs2)c(C)c1	513676522	GLAQMFQHNPXTIJ-FQEVSTJZSA-N	412.518	5.411	30	20	HKED	
Cc1cc(C)cc(OCc2noc(CNc3ccccc3SC[C@H](C)C#N)n2)c1	513785297	JVYLMRAVHJHERW-QGZVFWFLSA-N	408.527	5.129	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc(-c2ccncc2)cs1	516767827	HQEKAJKMPILEOL-AWEZNQCLSA-N	424.279	5.204	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)s1	518054714	ANIVXPBHQOVQOC-HNNXBMFYSA-N	406.511	5.649	30	20	HKED	
Cc1cc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc12	518653010	PYMJZNPGZMLMOJ-MRXNPFEDSA-N	407.564	5.668	30	20	HKED	
Cc1cc(Br)oc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	520427624	RGTKXQIYGHWAKY-VIFPVBQESA-N	423.238	5.242	30	20	HKED	
Cc1nc(CCC(=O)Nc2sc(-c3ccccc3)cc2C#N)oc1-c1ccccc1	521244229	ITRHJLYHEXWODO-UHFFFAOYSA-N	413.502	5.822	30	20	HKED	
CCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC	521385386	ULRPUPYSPYKWNN-UHFFFAOYSA-N	418.518	5.510	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCc4cc(F)c(F)cc43)cc2)cc1	521951218	SZDRQBRIHHUMDM-UHFFFAOYSA-N	404.416	5.416	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)cc1	522965324	SDJSSUTZYBGFOH-UHFFFAOYSA-N	400.869	5.326	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1	532701837	ZOLGRXLZCSSXCN-WAIKUNEKSA-N	411.546	5.289	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C(F)F	534130420	JTTCWWDBUVZNKY-UHFFFAOYSA-N	410.424	5.393	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCC2)cc1OC	539623319	SIDMNHRRPJTLHM-KRWDZBQOSA-N	424.566	5.406	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1	541198730	BIPGERIISLWQDS-SFHVURJKSA-N	416.889	5.671	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C)c2nc(-c3ccccc3)cs2)c1	542589911	IECJQRKRPIBTFS-LJQANCHMSA-N	418.566	5.024	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)c(Cl)c1	543860628	BTJBWLHJXZMTDP-GFCCVEGCSA-N	412.864	5.967	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)CCc2ccc(C#N)cc2)c1	544243054	RXXGHFRSUNSIDQ-VPUSJEBWSA-N	410.517	5.257	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCCCC(C)(C)C#N	544462248	XXQFPKZAFIWXEC-ZDUSSCGKSA-N	406.393	5.862	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(N2CCCCCC2)nc1)c1nc2cc(Cl)ccc2s1	544815764	WQUAMARGKMYVPS-INIZCTEOSA-N	410.930	5.215	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1Cl	547955299	MTCMYNSXVNONCX-UHFFFAOYSA-N	407.857	5.880	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	548587695	LUMCPGSMGBKQRR-SFHVURJKSA-N	404.535	5.430	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1	557554107	PSNFYQCMOKRYBB-IAGOWNOFSA-N	407.539	5.459	30	20	HKED	
C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(OC2CCCCC2)CC1	558991546	MXHAXYBGBISCOV-UHFFFAOYSA-N	408.590	5.072	30	20	HKED	
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	565767373	PXXSLNALBALZCI-KRWDZBQOSA-N	412.493	5.082	30	20	HKED	
C[C@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F	573008871	FMBYELPSIPWYCC-QMMMGPOBSA-N	419.300	5.219	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	580126176	UJADLBMXLXNVIE-KDURUIRLSA-N	416.443	5.738	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CCC(=O)c2ccccc21	581360667	UEYASMQNPQORSL-QFIPXVFZSA-N	414.892	5.505	30	20	HKED	
C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccccc1-c1ccccc1	585688332	KWMGLCVUWBPPHL-KRWDZBQOSA-N	413.546	5.618	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(Cl)c(C#N)c3)c3c(C)noc3n2)c(C)o1	591351924	FHZVKUVRRITZME-UHFFFAOYSA-N	406.829	5.185	30	20	HKED	
CCc1cc(C#N)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)s1	604028663	CUSOIVPNLAVMSF-VIFPVBQESA-N	413.724	5.004	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2F)c1	609104649	KHHQAILZKHSOFS-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](Cc4ccccc4)C3)cn2)cc1	609281517	NMVLJNOGOHCYTC-NRFANRHFSA-N	412.493	5.232	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2	609377523	HXMXHVOREFMUQP-AWEZNQCLSA-N	406.532	5.812	30	20	HKED	
CC[C@H](NC(=O)CNc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	609384734	NURCAHVDGOZQRM-QAPCUYQASA-N	401.963	5.271	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(Cl)c(Cl)c1	609460576	UXJBBCOTWPQTBF-AWEZNQCLSA-N	406.250	5.111	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1Br	609593609	ZAWHHUJRARICQT-ZQIUZPCESA-N	424.125	5.240	30	20	HKED	
COc1ccc(C)c2c1N(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CCC2	609643739	IJUIQDHFQCADDN-UHFFFAOYSA-N	412.489	5.047	30	20	HKED	
N#Cc1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1	609961206	AEWQTRWVWVHXMY-UWVGGRQHSA-N	404.276	5.898	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H](N3CCCC3)CC2)c1	609977477	MQBJCEKEYLBYSL-NRFANRHFSA-N	423.944	5.094	30	20	HKED	
Cc1cccc2c(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c[nH]c12	610172394	YMTKCLFLUHMWRZ-UHFFFAOYSA-N	423.516	5.693	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)CSc2ccc(C#N)cc2)cc1	610189156	NVMISDMRNZZZBK-KRWDZBQOSA-N	402.519	5.203	30	20	HKED	
N#C[C@]1(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCSC1	610196901	LQTXENWRLQUZNR-LJQANCHMSA-N	423.390	5.415	30	20	HKED	
CCCCCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1OC	610348055	VFDPPMKYNJMCCF-MSOLQXFVSA-N	409.530	5.257	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](OC(F)F)C3)cc2Cl)cc1	611595454	KUIBSSMXRYHUMN-MRXNPFEDSA-N	421.831	5.239	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1ccc(Br)c(Cl)c1	615761408	ZJFUFLWXKQBZPG-UHFFFAOYSA-N	409.736	5.289	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)o1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618298637	SOMCXMPDWFLHQS-TXEJJXNPSA-N	409.301	5.289	30	20	HKED	
C[C@H]1CCCCN1CCOc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1	672579978	JKMNTQSHKXTFBG-HKUYNNGSSA-N	419.550	5.040	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	679562436	OEFMZCSHPYIQCW-KOLCDFICSA-N	404.301	5.535	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)cc1NC(C)=O	726429089	RYDZWQMRWBYIAA-UVTDQMKNSA-N	401.462	5.129	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3nc(-c4ccsc4)oc3C)n2)cc1	727039398	XFEKLELBTUZQQF-QGZVFWFLSA-N	419.531	5.562	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1	728536491	HPKBMQWLONBIFL-UHFFFAOYSA-N	410.473	5.282	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2c1	730988722	BPFZNXMDDKHBGO-UEOUDEGLSA-N	402.519	5.752	30	20	HKED	
C[C@@H](OC(=O)CSCC#N)c1ccc(Oc2ccc(Br)cc2)cc1	732520294	BSJOSMBFDRCAQC-CYBMUJFWSA-N	406.301	5.102	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1C	733628662	RMHRFKJSSZTIEG-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(SCc3ccccc3)cc2)c1	733772628	AYYLNSKFRXGDSS-JOCHJYFZSA-N	416.546	5.590	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	740647089	BTHYUOPCBNYXQP-GAJHUEQPSA-N	402.519	5.470	30	20	HKED	
C#CCCN1CCC(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1	740735375	CFWAHJHDMHUIOJ-UHFFFAOYSA-N	415.773	5.079	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1	741506065	AUSMRVXWOYUMDI-GOSISDBHSA-N	400.547	5.733	30	20	HKED	
CC(=NNc1c(Cl)cc(Br)cc1Cl)c1ccc2c(c1)CC(=O)N2	741843174	JPYSYHKBEDBNFZ-UHFFFAOYSA-N	413.102	5.087	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1	742546728	SQOKRQFZUWOZEF-MDZDMXLPSA-N	404.495	5.151	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2ccccc2o1	750689888	MVVWENUHGCCCAH-IUODEOHRSA-N	407.882	5.386	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)/C=C/c3ccc(-c4ccccc4Cl)s3)nc12	750722226	BHBIXOLZDLYMRG-BVBGJJFLSA-N	418.909	5.538	30	20	HKED	
Cc1cc(F)cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1[N+](=O)[O-]	758504701	LTAQKYAACADJQF-UHFFFAOYSA-N	409.348	5.098	30	20	HKED	
CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	761845597	LUGVAIQPGZQPMB-IBGZPJMESA-N	415.946	5.318	30	20	HKED	
Cc1cc(Cl)ncc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	766242770	HCKMPGMNJPGXRE-UHFFFAOYSA-N	408.864	5.289	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3ccc(OC)cc3nc2C)cc1	770105393	APDXFCFSEPIBDM-NYHFZMIOSA-N	415.493	5.027	30	20	HKED	
COc1ccc([C@H](NCc2ccc(OCC#N)cc2)c2ccccc2Cl)cc1OC	779093980	UGXMHLRZBZZWQV-DEOSSOPVSA-N	422.912	5.139	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3c(C4CC4)nc4sccn34)cc2F)c1	779594973	BHLCKKJNYAKAII-UHFFFAOYSA-N	418.497	5.475	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	780589993	OREVIAYQGKYRMG-INIZCTEOSA-N	406.486	5.140	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)ncc1Cl	780632866	PXZHTIABSLYLGZ-UHFFFAOYSA-N	420.243	5.665	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nc2ccccc2o1	781451926	NALMHOCNMLMCRM-GFCCVEGCSA-N	404.775	5.408	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)c1csc(-c2ccc(Br)s2)n1	784630864	YRYLEFJJXZDWTD-INIZCTEOSA-N	416.362	5.020	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCCN1c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	786311718	MJLBWZPSOWYPHW-QUCCMNQESA-N	407.926	5.309	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1	789449596	HVCAEKLSFLNBOQ-LJQANCHMSA-N	406.448	5.412	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	789456377	PKRFLUBAIFOGKF-HKUYNNGSSA-N	415.578	5.306	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	789457470	TWHWYHFQSWZIBX-LJQANCHMSA-N	407.341	5.700	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC(C)(C)[C@H]2c2cccnc2)c1=S	793574334	RLADRXIJTFFKPN-HXUWFJFHSA-N	405.571	5.011	30	20	HKED	
N#CC[C@H](CC(=O)OCc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1	795990896	MOWUENIATQAGDV-HXUWFJFHSA-N	420.896	5.445	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)sc2ccc(C#N)cc12	796749298	YQHUNHJJHHYLEM-IBGZPJMESA-N	409.470	5.196	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	802045119	FUSNQXLAPRUIAT-DYVFJYSZSA-N	410.926	5.768	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(C(F)(F)F)cc1	810823159	JYUOUBSIFMDTIZ-CQSZACIVSA-N	411.383	5.507	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	814576705	GRCGMKOJXLFZSC-DQEYMECFSA-N	408.505	5.899	30	20	HKED	
CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353769	QLIMYCXRUGCMDA-SANMLTNESA-N	405.501	6.159	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OC(F)F)c1	915359424	SVZBGFXZUMIUOC-KSFYIVLOSA-N	421.447	5.826	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)nc(Cl)c3)c2)cc1	916449590	HFIONCDOHBLOBE-UHFFFAOYSA-N	412.276	5.286	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)c2ccccc2F)cc1	916592922	FMMHCKIQIPRHGX-UHFFFAOYSA-N	405.450	5.029	30	20	HKED	
N#C[C@@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc2ccccc2s1	916627280	KFTHFEHOZQBVKP-MOKGIYGOSA-N	404.491	5.914	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2s1	916627442	VLHLBTVZZIRAKF-AVRDEDQJSA-N	400.528	6.006	30	20	HKED	
CC(C)(C)c1ccc(OCCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1	916904946	GICWICOLBDACBL-GOSISDBHSA-N	412.917	5.144	30	20	HKED	
Cc1c(N=Cc2cc(Br)ccc2O)cccc1NC(=O)c1ccccc1	917557837	WYEJYKFOAFOORQ-UHFFFAOYSA-N	409.283	5.466	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)c2ccccc2OCC#N)c2cccs2)cc1	919990493	YFNNYPSMDZRYSO-GAJHUEQPSA-N	404.535	5.683	30	20	HKED	
COc1ccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)cc1Cl	1644837623	NKBVUETZKITTEZ-UHFFFAOYSA-N	418.884	5.009	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OCC)CCC2)cc1	1791593355	NTIPLOPYGBJBKI-UHFFFAOYSA-N	412.917	5.063	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1828821686	PXDIHVFWGMUWJX-UXHICEINSA-N	424.576	5.056	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)CCCCC)CC1	1832033783	CIWDNGJNAKBLSO-GGAORHGYSA-N	402.623	5.016	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN2CCc3sccc3[C@H]2C)c1=S	8187239	CSVFUXKDEAHOOC-CQSZACIVSA-N	400.548	5.044	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSCc2ccccc2)n(Cc2ccc(F)cc2)c1C	8337507	QNYWKSRGTILZCP-UHFFFAOYSA-N	407.514	5.036	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1NC(=O)c1ccccc1F	54735698	QORVHGMJKFIXLS-KRWDZBQOSA-N	413.408	5.018	30	20	HKED	
Cc1ccccc1SCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	55823489	BRZFEJUBMXMCKZ-UHFFFAOYSA-N	402.519	5.371	30	20	HKED	
CCOc1ccccc1OCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	60722046	ULLXTOJWONUURQ-HXUWFJFHSA-N	420.896	5.412	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1OCCOCC	63397459	XSRICKYOPIWSDA-UHFFFAOYSA-N	406.885	5.115	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CCC2	71837094	YSEOBXKRAZBGJE-FBMGVBCBSA-N	415.924	5.751	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	138866213	CTXHHWMZRMTGGD-LBPRGKRZSA-N	416.289	5.078	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	221700559	DOIWXEISSVSGMO-KVPUOBJLSA-N	421.934	5.963	30	20	HKED	
C[C@H]1C[C@H](C)CN(Cc2ccccc2CNCc2cccc(OCCCC#N)c2)C1	237708374	MZMUJZUENFTHQN-VXKWHMMOSA-N	405.586	5.137	30	20	HKED	
C=CCCN(CCCCCCCCC)C(=O)OCC1c2ccccc2-c2ccccc21	261508070	PKTCSRLBSVSANZ-UHFFFAOYSA-N	419.609	7.564	30	20	HKED	
CC1CCN(C(=O)c2ccc(NCc3cccc(-c4ccc(C#N)s4)c3)nc2)CC1	301389430	YCBVAJFAAOPBNI-UHFFFAOYSA-N	416.550	5.166	30	20	HKED	
CN(CCOc1ccccc1F)C(=O)c1ccccc1SCc1ccc(C#N)cc1	302801207	XPIKZUCEMJUPFF-UHFFFAOYSA-N	420.509	5.141	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)oc1C	303634186	PFPCNZYGTSZACJ-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
C=CCN(C(=O)c1cc(Br)ccc1F)c1nc(-c2ccccc2)cs1	392263683	KNPNCRPTVWGNCJ-UHFFFAOYSA-N	417.303	5.545	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc2Cl)cc1	410080253	CHRNEDWIUBZEII-UHFFFAOYSA-N	415.836	5.098	30	20	HKED	
C=CCCc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1	410369142	AFXREKVTKLCBOK-UHFFFAOYSA-N	414.343	5.255	30	20	HKED	
Cc1ccc(CCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	429850828	WGKMPKJNBMAFHI-UHFFFAOYSA-N	404.535	5.663	30	20	HKED	
Cc1c(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)sc2ccc(C#N)cc12	431348408	FFIWZPSSPHAWNI-UHFFFAOYSA-N	403.429	5.419	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cc(Cl)ccc1Br	433753168	GWJKGZTUUGICSM-LBPRGKRZSA-N	423.763	5.535	30	20	HKED	
CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	437101426	XMKVYZJGWHEPAZ-VQTJNVASSA-N	410.608	5.597	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1	438641333	LNVOYMQAPUWTOS-LJQANCHMSA-N	422.598	5.209	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCc3cc(OC(F)F)ccc32)c2ccccc21	444017344	DXDWMABADHBCBS-UHFFFAOYSA-N	409.436	5.139	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(F)cc(C(F)(F)F)c3)n2)cc1	447113147	XYZFTMIFUNRCBA-INIZCTEOSA-N	420.387	5.467	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)CNc1ccc(Oc2ccccc2C#N)c(F)c1	463238165	ZMBDESLEPSKVET-UHFFFAOYSA-N	409.848	5.502	30	20	HKED	
CCn1cnnc1-c1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	464851826	BLKCZNMMYPZZHD-UHFFFAOYSA-N	423.476	5.190	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(Oc4ccccn4)c3)c2)cc1	464901219	ODQHFWXVFKOTCX-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
CO[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1	465385170	CBWOAAOUPUIICX-QFIPXVFZSA-N	420.509	5.107	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ncccc3OCCCC#N)cc2)cs1	466622303	YCKQHDFTHOICQN-OAHLLOKOSA-N	421.526	5.079	30	20	HKED	
N#Cc1cc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)ccc1F	467774209	XNISQULHEXBBNK-HSZRJFAPSA-N	408.860	5.001	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccco1	468656681	YUMYBROYGWTMPE-OAHLLOKOSA-N	407.499	5.244	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cs1	474426851	MCRUKAQBNQFPKE-INIZCTEOSA-N	413.593	5.814	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)cc1OC	474870127	RTTDWTIZIUVKRU-UHFFFAOYSA-N	413.395	5.597	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccccc1	474910370	RLGYSQRDQIKYCS-LJQANCHMSA-N	407.489	5.371	30	20	HKED	
N#Cc1cc(NC(=O)c2c[nH]nc2C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1	476264489	WNXHOOMSPAYJRU-UHFFFAOYSA-N	412.371	5.222	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4c(F)cccc4F)CC3)o2)cc1	485556658	ACDAZKBWOSCNLV-UHFFFAOYSA-N	422.431	5.028	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4ccccc4)on3)c2)cc1	485991760	STYUSQATSKPSOU-UHFFFAOYSA-N	409.445	5.239	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C	486245991	SXKUMDXSDQNIPD-GOSISDBHSA-N	408.567	5.540	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1	487881847	ZNSUTKMRCXJIGC-UHFFFAOYSA-N	404.445	5.136	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1Cl	494199646	XMZJPIGPEZOVLI-PZJWPPBQSA-N	423.944	5.609	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H](C#N)c3ccccc3Cl)c12	499967230	FQYARHZDCMYXDG-LJQANCHMSA-N	423.948	5.266	30	20	HKED	
CCSc1ccc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1	504751472	USCJUUXPKCUZJY-INIZCTEOSA-N	406.507	5.333	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)cc1	505596051	HNIUJCUMZXMRRL-UHFFFAOYSA-N	401.432	5.359	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1	510874879	QZBXYVGXKZDEBJ-DEOSSOPVSA-N	415.468	6.167	30	20	HKED	
CCOCCOc1ccc(Br)cc1N[C@H](C)c1ccc(C#N)cc1F	512289100	QQZQVRFDFSCMOZ-CYBMUJFWSA-N	407.283	5.048	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2ccccc2[nH]1	513665612	GIDVJSINSBPOPO-CYBMUJFWSA-N	420.881	5.020	30	20	HKED	
C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Oc2cccnc2)cc1	514166115	ZLAVRJQFUGNHFI-LJQANCHMSA-N	424.504	5.305	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccnc2C(F)(F)F)cc1	514886976	KMGSLKOZQCHTFE-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1	515202299	DDGHQSLBGMEJRX-UHFFFAOYSA-N	403.526	5.128	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl	517517985	NNARSOXLQFYDHH-CHWSQXEVSA-N	409.338	5.794	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2ccccc12	518147684	HDUIYYJRGIOTHF-UHFFFAOYSA-N	400.425	6.117	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(C)C)c3)n2)cc1	518516602	MXPSZZFOEUFDLL-HXUWFJFHSA-N	406.507	5.344	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cc(Br)ccc2o1)c1cccc(C(F)(F)F)c1	518848903	JCQPSWLXOPQLRM-AWEZNQCLSA-N	423.188	5.209	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl	519425190	XWPRXJFRJBEYKM-CQSZACIVSA-N	423.365	6.043	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)[C@@H]2CCc3ccccc32)cc1	521208165	GENKZBXOSSROMN-XMMPIXPASA-N	417.553	5.432	30	20	HKED	
CC[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C)cs1	521489692	SRQNBJSPKQTWSJ-IBGZPJMESA-N	407.564	5.497	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3csc(Cc4ccc(F)cc4)n3)n2)cc1	524018859	XOQUNELRUXUKNU-UHFFFAOYSA-N	420.494	5.120	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(OCC(F)(F)F)c1C	524372087	IPFNZDUUBPXSEK-UHFFFAOYSA-N	408.420	5.165	30	20	HKED	
C[C@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1	530435762	NIDIAJNOTOVCPH-AOMKIAJQSA-N	406.327	5.350	30	20	HKED	
C[C@@H](C#N)CNC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1	532566619	MXHRSFSZQVFNNK-NSHDSACASA-N	415.316	5.007	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C)c1ccccc1	534605930	QZPOKNBZPBFMQD-IBGZPJMESA-N	400.526	5.278	30	20	HKED	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	536419651	GONLCZWEDZJRHB-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
CN(C(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1)c1ccccc1	536972150	BFKWXNGSRQNJHX-UHFFFAOYSA-N	417.534	5.446	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)c1ccccc1	538325137	QPZXMSYKLURLPY-XMSQKQJNSA-N	409.599	5.223	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1	539495069	CQKYYHWLYDEFBH-KGLIPLIRSA-N	412.356	5.856	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1	540456562	KJJFUCJXSQZWOZ-UHFFFAOYSA-N	422.834	5.425	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ncccc1Br	543173926	GOFACEYSBWOMHN-UHFFFAOYSA-N	424.323	5.144	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1	560743883	OIFDFXLZWMXTGV-QHCPKHFHSA-N	421.516	5.303	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1scc(C)c1C#N	565837679	GDRXUBPHUBHVDY-UHFFFAOYSA-N	415.927	5.456	30	20	HKED	
Cc1cc(Br)ccc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	583595909	NSYXHUFQRLMQAZ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc(C)c1OCc1cccnc1	603627834	ZXLUZDJRDHKQOI-QFIPXVFZSA-N	407.473	5.316	30	20	HKED	
CC(C)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604499746	MVJIIOAEYKQXGQ-UHFFFAOYSA-N	400.482	5.436	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1	604505051	UBYDBVIHORXTFJ-QFIPXVFZSA-N	411.521	5.033	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)o1	604539487	QXTZNOBUEGQAMS-UHFFFAOYSA-N	415.493	5.727	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OC2CCCCC2)c1)c1nc(-c2ccncc2)cs1	606752808	CUJBPUJYGQTVEE-HXUWFJFHSA-N	403.507	5.407	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1cccc(OCCCC#N)c1	609101766	BUEMJQGFVMFVQX-FQEVSTJZSA-N	414.505	5.366	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4oc5ccccc5c4c3)CC2)cc1	609147462	SRPVYXRUBBMTRA-UHFFFAOYSA-N	411.461	5.533	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)NCc3ccc(C#N)cc3F)oc2c1	609229476	TZDCGBDNDILVKD-UHFFFAOYSA-N	400.409	5.049	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c(F)c1	609252669	FOAJHYDJHDXOIV-OAQYLSRUSA-N	411.839	5.079	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(-c2ccccc2)n1	609389678	XWMWATQCIGDFGL-QGZVFWFLSA-N	422.579	5.138	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cccc(Br)c1)c1cccc(Cl)c1Cl	609414559	ZBUZRTPNINVDEA-OAHLLOKOSA-N	412.114	5.070	30	20	HKED	
CCCCOc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1OC	609414740	SBAOQOSKTLXFHR-MRXNPFEDSA-N	407.297	5.176	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609427390	LFGXXAPZADRWCB-OAHLLOKOSA-N	419.462	5.378	30	20	HKED	
C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609436573	ASOFWMFADJYUJL-IBGZPJMESA-N	406.530	5.127	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	609504438	VADYWAUXLIFMET-KRWDZBQOSA-N	415.518	5.177	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCCCN2CCCCC2)cc1	609530552	KBPMGKJZFIQIGC-UHFFFAOYSA-N	421.610	5.237	30	20	HKED	
CN(C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(C#N)cc1F	609558532	JTOWIWHRMDCHFQ-YADHBBJMSA-N	400.453	5.043	30	20	HKED	
Cc1[nH]nc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1-c1ccccc1	609634932	BJYAXERFAVRVDT-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1	609906760	MVVHLWMDWKSIGX-UHFFFAOYSA-N	413.458	5.852	30	20	HKED	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	610017284	NXPRHHNZSCCZJI-MRXNPFEDSA-N	401.441	5.641	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccccc1Br	611402821	ZXOMYDPEMCFGNX-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
N#CC1(c2ccc(-c3nc(C(F)(F)c4ccc(Cl)c(Cl)c4)no3)cc2)CC1	612992096	YPIRIELLLGELNY-UHFFFAOYSA-N	406.219	5.739	30	20	HKED	
C[C@H](c1ccc(OC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	619726819	BWZXOALHESZZMB-YUSALJHKSA-N	409.292	5.709	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)o1	642156532	BRFVAYQRNOYKSH-IMRBUKKESA-N	423.328	5.725	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CC(F)(c2ccccc2F)C1	645003502	FFIOUQBVFJZJLE-UHFFFAOYSA-N	406.301	5.192	30	20	HKED	
COc1cc(C)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC	674894314	JPOWYEHZUGNSSH-CYBMUJFWSA-N	420.412	5.131	30	20	HKED	
C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@]2(CCCOC2)C1	685549615	JLLOOKJEYNNUJO-NRFANRHFSA-N	414.962	5.006	30	20	HKED	
C[C@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CC#N)c2C1	725712853	INLBCTIWPWWCQY-CIJMEZBMSA-N	424.548	5.019	30	20	HKED	
N#CCOc1ccc(CNC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1	727844644	DVSYWVMZLOWHPS-HSZRJFAPSA-N	419.912	5.026	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1	728481635	PSWMSFQDFCHUTR-UHFFFAOYSA-N	407.469	5.416	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(C)n1Cc1ccccc1	730422594	ZEOKDISYODGSQY-IBGZPJMESA-N	403.482	5.392	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCCCc2nc3ccccc3s2)c1	733773078	NZWMHWFVXAQNNY-GOSISDBHSA-N	407.539	5.006	30	20	HKED	
C=CC[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccncc1	734455850	OJBILDZGEXDQEG-OAHLLOKOSA-N	405.445	5.076	30	20	HKED	
CC(C)(C(=O)OCc1cc(Cl)ccc1OCC#N)c1cccc(C(F)(F)F)c1	735350052	SMVWCJLJMKSDDK-UHFFFAOYSA-N	411.807	5.282	30	20	HKED	
COc1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2ccccc2C)cc1	741455679	LWBFRQNEGCGXQK-UHFFFAOYSA-N	400.507	5.100	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccn1	742653286	JCBKKTWTJWGCCL-QGZVFWFLSA-N	403.507	5.307	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)on1	744370969	KQZOZRAIXJOMHP-UHFFFAOYSA-N	417.412	5.418	30	20	HKED	
C[C@@H](C#N)CN(C)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccco2)c1=S	746705309	ATBKRSCMTPTTOX-KRWDZBQOSA-N	423.586	5.069	30	20	HKED	
Cc1nc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1	750687086	KGBKGKDNGZKCTB-MRXNPFEDSA-N	401.944	5.428	30	20	HKED	
C/C(=C/c1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	750689918	NUSHAIHAGNOIMO-QIENPNARSA-N	404.388	5.734	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F	750894943	CIRJYTSTVWQNBP-VMPITWQZSA-N	409.360	5.139	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cn1nc(NC2CCCCC2)sc1=S	751930133	CNPZUZMJJBVMBB-RBUKOAKNSA-N	413.616	5.148	30	20	HKED	
C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1ccccc1	753062193	UGLNMEHCGQRFLG-UHFFFAOYSA-N	410.568	5.197	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccn3)s2)CCc2nc(-c3ccccc3F)sc21	753144159	KHIUSXAZHVATEB-ACCUITESSA-N	419.506	5.680	30	20	HKED	
CC[C@H](/N=C\c1cc(Br)cc(Br)c1O)c1c(C)noc1C	756848328	ZNIDOPDPKIDTTR-CZVDMKNNSA-N	416.113	5.092	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1	756864641	VEEHFQGSXZRFND-UHFFFAOYSA-N	423.875	5.289	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccc(Cl)cc2Cl)nnc1-c1ccoc1C	759063432	FZWKIGFOIQGXJA-INIZCTEOSA-N	410.326	5.165	30	20	HKED	
C#CCCCCNC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	759096256	ZCTYEGWOZHFQFY-CYVLTUHYSA-N	404.535	5.155	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3cc(F)ccc3F)n2)cc1	762053174	YGJKZODEAQHBSW-GOSISDBHSA-N	412.461	5.296	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(C#N)cc1Cl	769731373	UGRMBKWOERVGJR-UHFFFAOYSA-N	419.699	5.324	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3c2ccc(Cl)c3Cl)c1	772984267	PJGRCGRHYVWROU-DNVCBOLYSA-N	405.325	5.678	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1ccccc1SCc1cscn1	774345983	YPKIMNTYHYAUCW-MRXNPFEDSA-N	416.474	5.005	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2ccccc2F)s1	777115799	RMHUYLYPMFMLNP-INIZCTEOSA-N	421.541	5.560	30	20	HKED	
COc1cc2c(cc1F)CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CC2	777567089	YAIXTDJAEDWTRO-JOCHJYFZSA-N	415.468	5.080	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1	780156262	BLQDQJWGEYSPGB-QGZVFWFLSA-N	412.445	5.555	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780497160	URLNIDAQJANLQP-QGZVFWFLSA-N	414.465	5.182	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1	780780747	CQEXQVLHOMSTIW-SFHVURJKSA-N	412.468	5.581	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@@H](C)CC(=O)Nc2ccccc2C(C)C)cc1C#N	783589535	MEFAXYVYNVNLAI-INIZCTEOSA-N	408.502	5.079	30	20	HKED	
CCCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1C1CCCC1	783895303	SNWWYDOXYBKHNA-QHCPKHFHSA-N	412.537	5.858	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccn(Cc3ccccc3)n2)cc1	787400170	GTQPNMKJKHEJQD-QHCPKHFHSA-N	407.477	5.231	30	20	HKED	
COc1ccc(/C=C/c2ccc(OC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)cc1	813315859	VEUVPWHVVQUPGJ-XFBYCMBJSA-N	408.457	5.025	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(Cl)c(N)c1	814850336	JORFAKRSBFQZAO-UHFFFAOYSA-N	420.826	5.019	30	20	HKED	
C=CCCC[C@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1	883978421	NHPNGHVBJGCQRD-ULQDDVLXSA-N	407.398	5.716	30	20	HKED	
CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccc(Cl)cc2)s1	914835558	KNTBBPCMJFJGFV-UHFFFAOYSA-N	404.944	5.308	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353949	RNQFIXWGDXTTHQ-DEOSSOPVSA-N	421.500	5.826	30	20	HKED	
CCOc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916628248	OEGAQGPNFPFLGY-NRFANRHFSA-N	420.534	5.553	30	20	HKED	
Cc1cccc(CSCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916976481	PIMXNVMYNVULGS-GOSISDBHSA-N	412.967	5.882	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)SCc3ccccc3)n2)cc1	920138314	DIMYEOSREQJHTK-HNAYVOBHSA-N	408.548	5.317	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4ccc(F)cc4c3C)n2)cc1	920142330	BSCLJTJLBXZLOE-KRWDZBQOSA-N	422.506	5.971	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C(C)(C)CC(=C)C)CCC2)cc1	1786367033	SZXPBXYEUSLORP-UHFFFAOYSA-N	412.574	5.096	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(CC)ccc23)nnc1-c1ccccc1	4285702	MBJXUIKZFJWHGZ-UHFFFAOYSA-N	403.507	5.092	30	20	HKED	
O=C(Nc1cccc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F	24255243	WEJGUDJPWAFMEE-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
C[C@@H]1CCCCN1CCCCNC(=O)c1ccccc1Sc1ccccc1C#N	46988679	HPNRENZQQSPNGQ-LJQANCHMSA-N	407.583	5.094	30	20	HKED	
Cc1cccc(OCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	49723991	SGBKBTJUOZAYQJ-UHFFFAOYSA-N	401.466	5.160	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	59799202	DANFBHRDLSQOBN-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OCC(C)C)c1	107806375	OPVUGXAZXUJDDY-UHFFFAOYSA-N	401.466	5.341	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)ccc3Br)cc2)cc1	303042490	QBXSJFKGTZMNKI-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CSCc1ccc(C#N)cc1	303864083	PMNRVZZJEJQRFY-OAQYLSRUSA-N	406.576	5.262	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1-c1ccccc1	428188473	XCHLSGSUIYOYAA-UHFFFAOYSA-N	406.445	5.615	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1	431867451	ZIKRNBWXJXYMBQ-QFIPXVFZSA-N	417.896	5.020	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl	432082122	SIQJFPAEYHOUCI-MLGOLLRUSA-N	424.353	5.243	30	20	HKED	
Cc1c(C(=O)Nc2nc(CN3CCCCCC3)cs2)sc2ccc(C#N)cc12	432411876	CEMKIFSURUEBNO-UHFFFAOYSA-N	410.568	5.166	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1	435096441	MPNFCEKMKQDICZ-HSZRJFAPSA-N	406.526	5.007	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccccc1	435097234	GCFFKHADQOUGJJ-QFIPXVFZSA-N	412.480	5.277	30	20	HKED	
CCN(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)[C@H](C)c1ccc(C#N)cc1	436431038	KEZMBHZOFLVMDY-OAHLLOKOSA-N	407.420	5.247	30	20	HKED	
Cc1ccc(C)c(OCc2nnc(SCc3ccc(C#N)cc3OC(F)F)o2)c1	439542165	OXYJJPMOAMLVKL-UHFFFAOYSA-N	417.437	5.031	30	20	HKED	
Cc1nc(-c2ccc(N[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cs1	439558984	ZYNXBLICOVLWLB-HNNXBMFYSA-N	408.502	5.005	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cc3ccccc3o2)n(C2CCCC2)c1C	442884003	RFKNSDULKMZYGJ-MRXNPFEDSA-N	404.514	5.127	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCSc1ccccn1	446058303	AROVLTYZVQKOJS-UHFFFAOYSA-N	405.498	5.116	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1	460859507	DHGDUVVHHKZHJU-GAJHUEQPSA-N	404.897	5.404	30	20	HKED	
N#Cc1cc(NC(=O)c2sc3ccccc3c2Br)nc2ccccc12	464564365	VDEKMCCCTLBUBG-UHFFFAOYSA-N	408.280	5.336	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)CSCc1ccc(C#N)cc1	464712447	QKMNBISTBJUETR-UHFFFAOYSA-N	421.385	5.305	30	20	HKED	
COc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c1	465661376	PTCIFVVESDTQSZ-WAIKUNEKSA-N	419.912	5.370	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1C(F)(F)F	465760187	WMORGDILEOGWHW-ZAAXVRCTSA-N	401.432	5.248	30	20	HKED	
Cc1ncc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(C2CC2)n1	466436564	MWSGIUCMODRNOD-UHFFFAOYSA-N	404.857	5.232	30	20	HKED	
C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Nc1ncccc1OCCCC#N	466606206	GUCRQNHXEVBKAV-ZDUSSCGKSA-N	419.312	5.222	30	20	HKED	
CC(C)(COCC(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	469135211	WOCMYNDJKSWAPS-KRWDZBQOSA-N	406.860	5.242	30	20	HKED	
C[C@H](O)C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1	469683576	MHDFGVIADIEEBQ-RXVVDRJESA-N	415.493	5.027	30	20	HKED	
C[C@H](Cc1ccccc1Br)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	470794380	PRDHLWWDYYVTHA-CQSZACIVSA-N	400.320	5.003	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(CSC3CCCCC3)c2)cc1	470989652	TWBLVRZCNLYJLR-OAQYLSRUSA-N	403.551	5.445	30	20	HKED	
CCC1(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCCC1	473367424	GNADFRHKULKYKZ-HXUWFJFHSA-N	423.944	5.021	30	20	HKED	
CCc1cnc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	475666112	HHCAZIXLUNUPMJ-IBGZPJMESA-N	424.957	5.678	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	476538739	DBURDBCACVPNSE-NFBKMPQASA-N	403.913	5.223	30	20	HKED	
C=CCc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc(OC)c1OC	477933975	GPCRDPPEQDAGBZ-UHFFFAOYSA-N	405.416	5.044	30	20	HKED	
COCCC[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1	478175286	XTVGTAABWAJHAD-INIZCTEOSA-N	406.313	5.197	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	482050417	PNQIXFQKOJCENH-WXFUMESZSA-N	404.554	5.575	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482325563	XKAXABSCHKTEMT-MRXNPFEDSA-N	415.337	5.022	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(F)c(F)c1	483286284	QEFFVAZWCPTDTE-OXJNMPFZSA-N	406.498	5.034	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H](CCCC#N)c1ccccc1	487422968	YEJVLAVDGNBEQR-YWZLYKJASA-N	417.322	5.318	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1N[C@@H]1CCN(c2ccccc2F)C1=O	489142010	UJQIPXUGLROKDD-OAHLLOKOSA-N	423.435	5.068	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)cc2)c1	489826453	DRNAGLUIMUZQES-GBXCKJPGSA-N	413.477	5.250	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2coc(-c3cccs3)n2)cc1	494683935	XJIDLOYMNOKERN-UHFFFAOYSA-N	420.515	5.057	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	496646380	BYSPCEBVKCDHSI-UHFFFAOYSA-N	405.454	5.070	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nccn1Cc1ccccc1	498018735	IQMQAXFCZAMQIO-UHFFFAOYSA-N	410.502	5.207	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)n1	499455681	PLLIWYRFXNHLOR-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cs2)cc1	502751580	BABLAFGWGHNKMV-INIZCTEOSA-N	419.531	5.697	30	20	HKED	
CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	503224793	HHWFYCBZVPPKEQ-KKSFZXQISA-N	415.990	6.453	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1F	505514481	RJDKWPFMJVVMHS-KRWDZBQOSA-N	422.287	5.112	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1	505832055	KEZLTBGHVOJWIB-OAQYLSRUSA-N	413.864	5.657	30	20	HKED	
C=CCC[C@H](NC(=O)NC[C@H]1CCCn2cc(C)nc21)c1ccc(C(F)(F)F)cc1	506094484	VRLYEOTVZNMZEA-MJGOQNOKSA-N	420.479	5.094	30	20	HKED	
N#Cc1cc(NC(=O)c2ncoc2-c2ccccc2Cl)ccc1OC(F)(F)F	508212790	VWHWLGGDWMIXMF-UHFFFAOYSA-N	407.735	5.018	30	20	HKED	
CC(C)[C@H]1C[C@H](CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	513684507	GWJYNACVDAFXHC-HYBUGGRVSA-N	406.526	5.111	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCSc2ccccc2)cc1	513727724	NTCHGMYWBCJADT-UHFFFAOYSA-N	404.491	5.480	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2ccc(Cl)cc12	516714100	PQOWNOOFXKNISG-QGZVFWFLSA-N	417.877	5.880	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2ccccc2n1	517461484	JDCAOSSPEHXHQP-UHFFFAOYSA-N	401.413	5.512	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1	518803919	RNSWJASTZOTUSF-QFIPXVFZSA-N	413.546	5.177	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c(Cl)c1	519419846	PXLPCKBMTDTRFQ-KGLIPLIRSA-N	422.978	6.164	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OC4CCCC4)CC3)cc2)c1	520194960	NIJYADOWIRUXDV-UHFFFAOYSA-N	405.498	5.306	30	20	HKED	
Cc1c(C#N)c(NC(=O)CS[C@H](C)c2ccc(F)cc2)n(Cc2ccco2)c1C	521612490	MXJDSGWVNUHNJW-MRXNPFEDSA-N	411.502	5.190	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	521748142	MVMCQJHYPWLZKP-XMSQKQJNSA-N	421.610	6.605	30	20	HKED	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	521885393	IBKGBQKNCKDADU-VLIAUNLRSA-N	406.917	5.088	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2cc(F)ccc12	523381285	MRMZFHYPGVLYEQ-UHFFFAOYSA-N	415.443	5.402	30	20	HKED	
N#CC1(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)CCCC1	523855051	YWHOWSXFELXTJH-UHFFFAOYSA-N	419.472	5.653	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N(C)C[C@H](C)C#N	525506657	DUPNMAGMQHSEMS-OAHLLOKOSA-N	407.493	5.355	30	20	HKED	
N#CCc1ccnc(NC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)c1	531925242	OQDCNZMGKXYIRX-FQEVSTJZSA-N	411.889	5.412	30	20	HKED	
Cc1cccn2cc(COc3ccc(CN[C@@H](CCC#N)c4ccccc4)cc3)nc12	533037715	YQFQTXCKKUDPLX-VWLOTQADSA-N	410.521	5.356	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CN(CCC#N)CCC(C)C)cs1	534470966	WUSYXHKZROFEMG-UHFFFAOYSA-N	404.967	5.243	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OC4CCC4)cc3Cl)s2)cc1	535352669	AHKZKSXPBMOVHD-UHFFFAOYSA-N	423.925	5.443	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1	536201327	OQZZQVOCHSMLQP-YLJYHZDGSA-N	421.928	5.456	30	20	HKED	
Fc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c2ncccc2c1	538323572	QLPQUBKKWPJUHL-QGZVFWFLSA-N	402.313	5.786	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(C#N)c(Cl)c1	539175350	HGEISJANJGQKBC-UHFFFAOYSA-N	418.884	5.522	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NCc1cn(CCC#N)nc1-c1ccccc1	539921011	VNNNDFXDHRHIOV-UHFFFAOYSA-N	402.542	5.699	30	20	HKED	
N#Cc1cc(NC(=O)N[C@@H]2CCCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1	540637655	GTVBCWXNMYCLFC-MRXNPFEDSA-N	419.403	5.060	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1	541044360	ZXCSHCUYCLXWDX-AVRWGWEMSA-N	403.526	5.490	30	20	HKED	
N#Cc1ccc(CN(C(=O)NCc2cccc(COc3ccccc3)c2)C2CC2)cc1	543354958	DWZFLQWSVIPWMV-UHFFFAOYSA-N	411.505	5.011	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1	545378600	QNASSJFVRHETIE-UHFFFAOYSA-N	418.537	5.116	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nc2ccccc2n1C1CC1	548956243	YNXDPQAXIMRVEN-HNNXBMFYSA-N	405.527	5.087	30	20	HKED	
Cc1c(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)sc2ccc(C#N)cc12	551288887	BDLIANOHLMOXHN-PMACEKPBSA-N	406.507	5.016	30	20	HKED	
Cc1cc(C)cc(-c2nnc(Sc3c(C#N)cnc4c(F)c(F)c(F)cc34)o2)c1	557476260	JAFXLFLFINKLSI-UHFFFAOYSA-N	412.396	5.342	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1	557583693	UIQWBVAVVKEFTN-CQSZACIVSA-N	421.488	6.014	30	20	HKED	
O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F	558210443	RYIWSSGVGAVEPG-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	561238381	QHWYYZKOGWZFQQ-UHFFFAOYSA-N	424.932	5.523	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](COC(F)F)C2)cc1Cl	562100513	RSFRGCMMGKHIHE-RDTXWAMCSA-N	419.859	5.088	30	20	HKED	
C=CCn1c(SCC(=O)N2C[C@@H](C)c3ccccc32)nnc1-c1ccc(Cl)cc1	581268587	AMHMOVFPJYOVID-OAHLLOKOSA-N	424.957	5.027	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1	589739934	CNIDEHBOALKPNU-KRWDZBQOSA-N	407.539	5.663	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(C4CC4)nc4ccccc34)cn2)cc1	604241759	LWPIGUQAPZYHSJ-UHFFFAOYSA-N	406.445	5.423	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608110285	KNZMHBDFJPNGHA-XBFCOCLRSA-N	413.377	5.420	30	20	HKED	
CC[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCc1ccccc1	609387320	XJGSLCISYPJZEA-KRWDZBQOSA-N	421.488	5.218	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12	609430429	DMIBRVUWQQTTHW-INIZCTEOSA-N	413.506	5.043	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c(Cl)c1	611094850	AGZKBCSPOQPQMH-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C(C)C	611226919	ZGYLNPUFVVHVAR-UHFFFAOYSA-N	418.501	5.365	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)cc1	611548478	YKDBTXBJUNIVHX-CRAIPNDOSA-N	402.416	5.462	30	20	HKED	
COCCOc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	611815929	CIARFMYGSGRPQK-GOSISDBHSA-N	415.493	5.133	30	20	HKED	
Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	618540686	XGJBOOMOHFSSDL-NXEZZACHSA-N	422.291	5.608	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)NCc3ccc(C#N)c(Cl)c3)c2C(C)C)cc1	619801046	DXAUJDNXXMLHRZ-UHFFFAOYSA-N	407.905	5.151	30	20	HKED	
O=C(Nc1cc(F)cc(F)c1Br)c1c(F)cc(C(F)(F)F)cc1F	637899388	FKBSZNOIVVVIKJ-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)c(F)cc1Cl	642158794	YXPNVGHUNDWFIY-BQBZGAKWSA-N	409.704	5.258	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc(-c2ccc(OC)cc2)no1	642252158	IBEOQTMKYMHRMN-UHFFFAOYSA-N	418.522	5.011	30	20	HKED	
C=CCn1c(SCc2ccncc2)nc2scc(-c3ccc(C)cc3)c2c1=O	643090047	RAOYONYEZXLYAR-UHFFFAOYSA-N	405.548	5.307	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc2ccccc12	726319875	OPPCARSBXNCRNI-KRWDZBQOSA-N	411.288	5.427	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)c1occc1COc1cccc(C#N)c1	726509245	NOQVLRBFYGKURT-UHFFFAOYSA-N	420.534	6.182	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1	726525214	XFKCQXJQZQGOFA-UHFFFAOYSA-N	409.445	5.726	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3nc(-c4ccccc4)cs3)cc2c1C	726875324	VOTBUTOLSRNYHF-CMDGGOBGSA-N	420.515	5.411	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2csc(-c3ccccc3OC)n2)c1	728182418	OUTYOPNWYGFTFA-UHFFFAOYSA-N	414.486	5.240	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12	728873926	DWTBTAHBFDHKHF-AWEZNQCLSA-N	408.299	5.038	30	20	HKED	
O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(OC(F)F)cc1	730950564	GARRLZQXJHQCDQ-KMKOMSMNSA-N	414.360	5.054	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(Cl)sc1Cl	733083472	JUWXZNKNQKVVNI-PLNGDYQASA-N	411.291	5.983	30	20	HKED	
CCCN(C(=O)NCc1cccc(O[C@H](C#N)CC)c1)[C@@H](C)c1cc2ccccc2o1	733806083	XDTILLXSHPQWOA-RXVVDRJESA-N	419.525	5.797	30	20	HKED	
CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	735040733	SDLLKGZFANLCHP-NRFANRHFSA-N	422.916	5.045	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccnc4ccccc34)n2)cc1	741113285	PEPNHEKKZTUSNC-SQUSKLHYSA-N	406.470	5.120	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1c(Cl)nc2sccn12	741843497	GPSLYPAEVWRSFH-ALCCZGGFSA-N	415.883	5.582	30	20	HKED	
COc1ccc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3)c3ccccc3n2)cc1OC	742223081	KOFQQSPTPSFJJI-UHFFFAOYSA-N	423.472	5.067	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)OC(C)(C)C	744016330	LAITXMCIOAAALL-GOSISDBHSA-N	401.466	5.380	30	20	HKED	
CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccc(C(F)(F)F)cc1	746138000	JGAKNQYIXIWPIC-MRXNPFEDSA-N	417.456	5.013	30	20	HKED	
CCSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1	755607328	YABLBERKAQHRPC-NTEUORMPSA-N	422.575	6.144	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2ccc(Cl)c3cccnc23)cc1	760241164	JTPASQSCIFDRPM-UHFFFAOYSA-N	414.321	5.308	30	20	HKED	
O=C(/C=C/c1cccc(/C=C/C(=O)c2c[nH]c3ncccc23)c1)c1c[nH]c2ncccc12	761813907	XUARVVHHQZXERS-GFULKKFKSA-N	418.456	5.231	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1cccc(C(=O)c2ccccc2)c1	762019304	UJWGJVKOINAEIZ-JPYJTQIMSA-N	404.469	5.446	30	20	HKED	
CC(=NOCc1ccc(C(F)F)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C	763425284	ZJHVQFPHCCADJB-UHFFFAOYSA-N	424.373	5.473	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@H]2c2cc(C)no2)c1=S	764898325	NGFAXTYDMPTAEP-KRWDZBQOSA-N	415.950	5.012	30	20	HKED	
CCCCc1oc2ccccc2c1C=Nn1cnc2ccc(Br)cc2c1=O	767306973	AOSKFLQMRXHNCE-UHFFFAOYSA-N	424.298	5.130	30	20	HKED	
Cc1ccc(-c2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)c(O)n1	771118829	XMPWMSHTSLJPFP-UHFFFAOYSA-N	404.813	5.130	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCCc2sccc21)c1nc(-c2c(F)cccc2F)cs1	771593540	BKNCLBUXTUDSHT-CHWSQXEVSA-N	400.475	5.446	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)Cc1ccc(Cl)cc1	772647444	YPWXRDOXRVCHSZ-MGPUTAFESA-N	419.937	5.780	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3cccnc3)nc2C)ccc1OC	772986244	OOTUNCPAEMWEND-DNVCBOLYSA-N	422.554	5.054	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Cl)ccc2OC(F)F)ccc1OC	772987102	RUJYFDVMDBRYDS-BBRMVZONSA-N	424.875	5.482	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCC(C(F)(F)F)CC1	774053085	NRZOJSRMCDBGID-CBINBANVSA-N	407.219	5.009	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc2)c1	777172568	LDUGHUVZEYWAFO-XMMPIXPASA-N	424.500	5.395	30	20	HKED	
C=CCN(CCc1ccco1)Cn1nc(-c2ccccc2)n(Cc2ccco2)c1=S	778589901	VWFLFRVXLBYTPD-UHFFFAOYSA-N	420.538	5.004	30	20	HKED	
C#CCOc1ccc([C@H](C)NCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1	779177868	LUJJFWVBEIJLQE-SFHVURJKSA-N	412.489	5.366	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CSCCS1)c1nc(-c2ccc(Cl)cc2Cl)cs1	780313353	OYMLRCLRZCXBKO-SMDDNHRTSA-N	415.392	5.142	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3cc(F)ccc3C2=O)cs1	781553586	BNEBQDKXDVFSJU-LFIBNONCSA-N	422.481	5.324	30	20	HKED	
N#C[C@@H](C(=O)CCCCC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl	783353657	YFDFSMKJJGHVHO-INIZCTEOSA-N	417.292	5.084	30	20	HKED	
N#C[C@H](COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Cc1cccs1	783423012	WIBZGXMGPFOSGL-OAHLLOKOSA-N	409.894	5.172	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(C(F)(F)F)cc1	786870025	HTHNGALMMQLQHY-KKSFZXQISA-N	417.475	5.593	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3cc(Br)ccc3[nH]2)cc1	787184605	RFAKUALSKLFDCW-OXFWXOROSA-N	402.679	5.353	30	20	HKED	
CC(C)n1ncc2cc(/C=C3\C(=O)c4cc([N+](=O)[O-])ccc4C3(C)C)c(Cl)nc21	788361724	GPUBFIFETOVAMA-CAOOACKPSA-N	410.861	5.131	30	20	HKED	
C=CCNC(=O)c1ccccc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	799540835	WCDDCUTZYLFPDE-UHFFFAOYSA-N	414.292	5.157	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)OCc2cccc(SCc3ccccc3)c2)cc1	805549390	DJYCKKABSDTFJC-HSZRJFAPSA-N	412.514	5.276	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1	808447125	NTTCGJJBUBGBTF-LHSJRXKWSA-N	424.342	5.388	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813217913	QHFCYRKNPGTZMX-XHDPSFHLSA-N	400.322	5.174	30	20	HKED	
CCn1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c2ccccc21	915047913	IFCHALFKLAPFLP-UHFFFAOYSA-N	412.518	5.290	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc(Cl)c(C(F)(F)F)c1	915826262	QGQSZVZHAUNYNV-UHFFFAOYSA-N	413.779	5.004	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc2c1CCCC2	916905980	QZANOHAYFDFZBX-SFHVURJKSA-N	416.502	5.380	30	20	HKED	
Cc1cc(C)cc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1	917043821	OLOPDOZXCMGEPU-INIZCTEOSA-N	414.452	5.840	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1OCC#N	919986480	NWADCFMUUVUGRL-QGZVFWFLSA-N	424.953	5.577	30	20	HKED	
CSCc1c(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)oc2ccccc12	920102360	SFFJAEUMYFHKTL-INIZCTEOSA-N	402.475	5.291	30	20	HKED	
N#CCOc1ccccc1C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	920113621	IJVVFQFQXBIVSP-FOGJEEJESA-N	417.534	5.003	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)c1cccc(Cl)c1	921006756	HNMHIXLJZOMXED-AOOOYVTPSA-N	409.704	5.021	30	20	HKED	
O=C1/C(=C/c2csc(COc3ccc(Cl)cc3)n2)COc2c(F)cccc21	921266230	LJABUKRXOAXNKL-XYOKQWHBSA-N	401.846	5.173	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)SCc1ccccc1	44518967	FGDHBXPGONRHAJ-KRWDZBQOSA-N	403.507	5.314	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3	62410806	RCMIRKVPJRGXII-WHSGIHJSSA-N	401.510	5.701	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCOc2c(Cl)cccc21	72023583	NKDFZEGKDMUZPW-IBGZPJMESA-N	420.921	5.616	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C)c(C)c2)cs1)c1ccc(F)cc1F	98000603	MRHTVMZTBSVFRW-CLFYSBASSA-N	412.461	5.619	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C#N)cc1)C(=O)c1ccccc1	213678267	FQJJEJOFWGVEMB-ULJHMMPZSA-N	408.501	5.588	30	20	HKED	
C=CCn1c(Sc2cc(C)nc(-c3cccnc3)n2)nnc1-c1cccc(Cl)c1	301706535	ILJYUUBIGAXJJF-UHFFFAOYSA-N	420.929	5.096	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1	303343209	YZXBTYOAJCRXTA-STQMWFEESA-N	409.338	5.651	30	20	HKED	
C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cc(Cl)ccc1Cl	428297989	ALKMVTLZBQFAJI-CQSZACIVSA-N	413.308	5.262	30	20	HKED	
FC(F)Oc1ccccc1[C@@H](NCc1ncccc1C(F)(F)F)C(F)(F)F	429336179	PXQZASKRDLOPCI-CYBMUJFWSA-N	400.269	5.095	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(SCC#N)c1	429923953	KJKSLNWDJPUPHI-UHFFFAOYSA-N	415.493	5.468	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(SCC#N)c1	429958849	BHJYWFRWHGAFKA-UHFFFAOYSA-N	401.491	5.115	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccccc1	430002395	OGPCCRMMFJXQSQ-LJQANCHMSA-N	418.459	5.289	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	433989695	ZURYWCKKPNGADP-UHFFFAOYSA-N	405.376	5.021	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C	437519738	PDTVIHYMVHNDHS-QFIPXVFZSA-N	416.550	5.591	30	20	HKED	
CCN(CCc1cccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438654746	JPQUOSUFORXIHF-UHFFFAOYSA-N	409.486	5.648	30	20	HKED	
C[C@H](Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C#N)cc1	439608175	UOTXJYDRWCHATF-INIZCTEOSA-N	423.438	5.680	30	20	HKED	
C[C@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)c1cccc(C#N)c1	442905934	FECYABGZIQNXOO-OALUTQOASA-N	417.582	5.539	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N(C)[C@@H](C)CC#N	444388949	HTCYIDMLBDXPOT-INIZCTEOSA-N	407.493	5.498	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c(C)c2)n1	445615936	NHONLGLAQBUQDJ-UHFFFAOYSA-N	405.548	5.453	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccccc1	460787455	QUEZTPJHOOHSNL-FQEVSTJZSA-N	420.582	5.497	30	20	HKED	
Cc1nc(Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(Cl)cc1C#N	461740169	SUCFFBPJVDUMBE-UHFFFAOYSA-N	406.902	5.141	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1sccc1Br	463443672	PHNWNNMPXQWNKX-UHFFFAOYSA-N	422.373	5.159	30	20	HKED	
CSc1ccc(F)cc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	465207302	PUUBPXHUHLBJTQ-UHFFFAOYSA-N	422.550	5.642	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	467930059	OSSIGLFZKGFWPY-DOMZBBRYSA-N	407.367	5.294	30	20	HKED	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470560729	MNXICDAFPRHINK-DEOSSOPVSA-N	418.541	5.131	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)nnc1C1CC1	471212163	NGUOIDUQOOKTSL-JTQLQIEISA-N	422.341	5.552	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3ccccc3)c3cccc(Cl)c3)o2)cc1	471622987	WEHLUIGNWAUGCR-QFIPXVFZSA-N	400.869	5.141	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ncoc3-c3ccc(F)cc3)n2)cc1	473477367	GIAKEGKXCUCTMG-KRWDZBQOSA-N	419.437	5.103	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1	474430308	HGMHTISPSVDVPC-IBGZPJMESA-N	413.502	6.079	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1	475564609	MVBMXSWQOXVMFK-UHFFFAOYSA-N	423.532	5.560	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1	475586000	WICJMGJLFAIGDT-UHFFFAOYSA-N	418.537	5.631	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1	476121428	XUHHKGKXRMBADM-UHFFFAOYSA-N	410.970	6.497	30	20	HKED	
Cc1sc(NC(=O)C[C@@H](CC#N)c2ccccc2)nc1-c1c[nH]c2ncccc12	476523797	JVVDGPCFHYRXPH-MRXNPFEDSA-N	401.495	5.021	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nc2cc(F)c(Br)cc2s1)c1ccccc1	477023822	XLZNICXJRNTCRK-LBPRGKRZSA-N	418.291	5.224	30	20	HKED	
C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	480117291	AJVAXBGMMAGRSO-OXQOHEQNSA-N	404.901	5.615	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@@H]3c3ccco3)c2)c1	480285887	OLUPZGFXEKMHKU-OAQYLSRUSA-N	414.465	5.163	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nccc2ccccc12	483212283	JKPBFFUHKGVRPK-KRWDZBQOSA-N	424.357	5.068	30	20	HKED	
Cc1cc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)nn1-c1cccc(C#N)c1	484951568	IVLKAUSQAUCACB-UHFFFAOYSA-N	424.426	5.128	30	20	HKED	
CC(C)C[C@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccccc1	486452943	SSDKQDCBPLGPOJ-QFIPXVFZSA-N	414.509	5.061	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(C4CC4)nn3-c3ccccc3)o2)cc1	486502652	YYRUKZLDPHXEGC-UHFFFAOYSA-N	424.460	5.046	30	20	HKED	
CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1	487970125	JQCIZVSZAIJDLO-UHFFFAOYSA-N	402.450	5.211	30	20	HKED	
Cc1c(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cccc1-c1ncco1	493954237	ZNPHOWBQYKAVBA-UHFFFAOYSA-N	415.478	5.213	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	494343238	LWNUMYGOJDPXRO-UHFFFAOYSA-N	408.329	5.369	30	20	HKED	
N#CCN(C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccccc1	495550370	ZGZWOZNBDYTMHZ-UHFFFAOYSA-N	416.477	6.035	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	498472068	RQUBMCHGWVXMCR-YGRLFVJLSA-N	417.214	5.161	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(CCC(F)(F)F)cc1	500215011	ASDSQYBPLDSHJX-UHFFFAOYSA-N	423.328	5.904	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	500692107	ZIOFDAGXBJZWQW-UHFFFAOYSA-N	411.493	5.426	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(Cl)c3Cl)c2)cc1	501446653	BVTSIRYBKVWKSN-UHFFFAOYSA-N	411.288	5.891	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)cc1C	501660292	XTFKGSOFLVBVRH-OZXSUGGESA-N	412.537	5.004	30	20	HKED	
CCO[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccc1	505642942	DDLVNFVZLYJAJW-HSZRJFAPSA-N	402.450	5.075	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1	505839024	QBVJLOPAWLJNOT-FQEVSTJZSA-N	411.933	5.227	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C#N)c3ccccc3F)o2)cc1	505975318	DBYAUPGDRDCNJP-QFIPXVFZSA-N	411.436	5.451	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N(CCC#N)c1ccccc1	510180755	MXTZEQSBKXNKOC-SFHVURJKSA-N	412.518	5.048	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCSc2ccc(Cl)cc2)cc1	510959228	FZWLGTDDNDQISV-UHFFFAOYSA-N	412.864	5.285	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	512865344	SHLFELOACPFXRW-OALUTQOASA-N	402.416	5.966	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)oc2c1ccc1ccccc12	518849253	WKIIRWLJGCXFNU-IBGZPJMESA-N	408.379	5.908	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OC(F)F)c1nc(-c2c(F)cccc2F)cs1	518870980	OZIIHWVAXJDXMB-NSHDSACASA-N	406.360	5.180	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1	521264173	YEEZCGGDZNRESO-MRXNPFEDSA-N	420.444	5.073	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)C3CC(c4cccc(F)c4)C3)c2)c1	522214446	UWZOGGVXFAODKN-UHFFFAOYSA-N	400.453	5.409	30	20	HKED	
CC(C)CCc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	527366918	GSKLJQSSZRZJAP-KRWDZBQOSA-N	409.555	5.247	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2ccccc2)[C@@H](C)C1	532972032	LAMGKZBNEDYTGX-ZVDOUQERSA-N	407.583	5.145	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1)C[C@H](C)C#N	533718744	NVPABBBQHNQKEU-CQSZACIVSA-N	404.967	5.080	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1CCC(F)(F)F)c1nc2ccccc2n1C(F)F	533955379	JGFMRJHYJPMRJE-CQSZACIVSA-N	407.342	5.416	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1	535618056	SAUMFPVADHQEQC-IBGZPJMESA-N	412.917	5.425	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cnc(-c4cccnc4)s3)c2C#N)C1	536423907	JGYMRJILMGTLHK-AWEZNQCLSA-N	422.579	5.542	30	20	HKED	
COC[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)c(F)c1	536913767	FGZSDVZINBAJIY-QFIPXVFZSA-N	423.419	5.138	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c1	540579399	QBECRQQJHUORLO-FQEVSTJZSA-N	422.868	5.027	30	20	HKED	
COC(=O)C(C)(C)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1	540859558	WVEQEEIHLPZAPM-UHFFFAOYSA-N	414.461	5.053	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(-c2ccccc2)cs1	544486593	LQOSPPQXNJDNRO-KGLIPLIRSA-N	410.930	5.013	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1	546088849	UWJZGBLVJWMLEZ-GOSISDBHSA-N	419.308	5.126	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOCC3(CCC3)C2)cc1Cl	546130056	NWURWWDROMROBI-HXUWFJFHSA-N	409.917	5.030	30	20	HKED	
C=CCn1c(SCc2nc([C@H]3C[C@H]3C)no2)nnc1-c1ccc(Cl)cc1Cl	546478101	IJCOCUJALUHFGN-MFKMUULPSA-N	422.341	5.237	30	20	HKED	
N#Cc1cccc(C2(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)c1	551581751	QVVROXKPRWUDBH-UHFFFAOYSA-N	403.413	5.177	30	20	HKED	
C[C@@H](Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1	568924127	WJSXJVWOYZQSTP-MRXNPFEDSA-N	405.885	5.402	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3cccc(OCc4cccnc4)c3)no2)cc1	572193846	SXARSBARAXWJLF-UHFFFAOYSA-N	414.490	5.016	30	20	HKED	
C=C[C@H](CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1	583581106	ZAGSGYVULVQQDL-HXOBKFHXSA-N	417.471	5.649	30	20	HKED	
Cc1ccc2snc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2c1	590153685	RIWXSGCCJKXSLJ-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cn1)c1ccccc1	592973698	IVYHKYFVZFRZBS-RDTXWAMCSA-N	417.465	5.460	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	601618184	ITNWJCCHVCXWAL-ZDUSSCGKSA-N	407.401	5.233	30	20	HKED	
COCc1c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)sc2cccc(F)c12	604480374	UPSLEJFEXKAMBG-UHFFFAOYSA-N	423.494	5.434	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCC(=O)Nc3cc(Cl)ccc3Cl)c2)cc1	609220701	JESSGKCJCGJUOQ-UHFFFAOYSA-N	412.276	5.708	30	20	HKED	
CC(C)COC[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccco1	609298384	CFXIHCLSUNXNOY-NRFANRHFSA-N	422.456	5.226	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2cccs2)c1	609377894	QRIRKIYVVGSDRA-MRXNPFEDSA-N	408.548	5.831	30	20	HKED	
N#CCCSc1ccccc1NCCOc1ccc(Cl)cc1Br	609385679	ADIBNTOUHFLDHL-UHFFFAOYSA-N	411.752	5.599	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	609387029	GZCLVMREFKOGII-KGLIPLIRSA-N	409.471	5.070	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc2c3c(cccc13)CC2	609427540	IPWYLLMYFVIZDD-MRXNPFEDSA-N	418.587	6.063	30	20	HKED	
CN(CCOc1ccccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434475	OMNMHKWDSLDXPB-UHFFFAOYSA-N	405.429	5.032	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3SC3CCCC3)cc2)nc1	609499467	GMDLTJGLDVBHQZ-UHFFFAOYSA-N	415.518	6.033	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CSc2ccccc21	609815067	LKGLQEWNLNWLLC-NRFANRHFSA-N	402.494	5.429	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nn1C1CCCCC1	611445600	GEVWBUHHMCVYDY-UHFFFAOYSA-N	401.470	5.008	30	20	HKED	
CC(C)(C#N)c1ccc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1	614173429	RIMVPVCDIDKVKW-IBGZPJMESA-N	404.489	5.056	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1	614401975	FSYNNJXIEIJHNA-UHFFFAOYSA-N	406.294	5.428	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	618730896	LKWOKWOPZRICEH-KRWDZBQOSA-N	412.367	5.134	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCc1ccc(C#N)c(Cl)c1	619765396	JVOPCZNTWPJOBG-UHFFFAOYSA-N	420.683	5.412	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2sc(-c3ccccc3)nc2C)ccc1OC	622267273	WWALOCHHKYIIHA-QGZVFWFLSA-N	408.567	5.933	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)c(F)c1	681330256	WQPDWQYROLAPHN-AJSBUHFISA-N	414.496	5.391	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C)CCC2CCCCC2)c1=S	725786493	XFNSEEQQHQDEFJ-UHFFFAOYSA-N	400.592	5.135	30	20	HKED	
O=C(/C=C\c1cnc(N2CCOCC2)s1)c1ccc(-c2ccccc2Cl)s1	727974624	ODVFXPAXPOEAEZ-WAYWQWQTSA-N	416.955	5.258	30	20	HKED	
C=CCN(C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(C)C	729041887	QBDZBCBZRFSXRQ-UHFFFAOYSA-N	405.420	5.386	30	20	HKED	
N#C[C@@H](NC(=O)/C=C\c1ccc2ccccc2n1)c1ccc(OCc2ccccc2)cc1	729370801	WXAIDDJNQFQGEP-XEFLPFGXSA-N	419.484	5.208	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(CC2CC2)C(=O)N[C@@H]1c1ccc2ncccc2c1	730453350	ZOATYFLMSBNKBY-XMMPIXPASA-N	411.505	5.020	30	20	HKED	
C#CC[C@@H](OC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccn1	733692377	MDQUVKFSNJUQAY-LJQANCHMSA-N	412.367	5.209	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccncc1	734361279	SERJKCXJNNMQJG-LJQANCHMSA-N	418.884	5.228	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	739155725	TYBWSVSCDMZLCU-PXNSSMCTSA-N	416.452	5.144	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1scnc1C	743738317	FBVVRZOXSYEGBA-NRFANRHFSA-N	417.534	5.027	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@]34CCCc3ccccc34)n2)cc1	744063152	YIXHFBATQHSYRR-FZOAFFARSA-N	409.514	5.152	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	744371402	PQPQQFQIFIZBAV-UHFFFAOYSA-N	419.403	5.105	30	20	HKED	
Cc1cc2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)oc2cc1C	745584808	WLOFRVXAJRSADR-AWEZNQCLSA-N	422.506	5.097	30	20	HKED	
Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	746129004	WNFFGVHTXHGOGR-HNNXBMFYSA-N	419.790	5.563	30	20	HKED	
N#C[C@H](C(=O)CSCc1cscn1)c1nc(-c2ccc(Cl)cc2)cs1	747204730	KVKNMDRAMUHZPD-CQSZACIVSA-N	405.957	5.030	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cc(F)c(F)c(F)c2)cs1	747641961	HYFUZKQEJBJABC-UHFFFAOYSA-N	424.835	5.344	30	20	HKED	
Cc1nc(CCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1	750691170	WOJHULZPKPMDKJ-ZDUSSCGKSA-N	409.458	5.279	30	20	HKED	
CCOc1c(OC)cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)cc1OC	750909241	KEMDDWRUJZWQAR-SOFGYWHQSA-N	424.465	5.322	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccn3)s2)CSc2ccc(Br)cc21	753142787	RODNKYLCMHQPTM-XFFZJAGNSA-N	415.337	5.340	30	20	HKED	
CC(C)(C)SCCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	754530148	CHLWQNVHPCRHGG-LBPRGKRZSA-N	400.491	5.803	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)CC(F)F)cc1	759496010	QNZWFJZGPLYRDD-QFIPXVFZSA-N	405.448	5.641	30	20	HKED	
C[C@@H](OC(=O)c1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F	768096061	RYQZQQGIFNBLKD-SECBINFHSA-N	423.284	5.047	30	20	HKED	
CN1C(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(=O)[C@H]1c1ccccc1	771817310	IVKPMZZXMOCGJI-IFMALSPDSA-N	415.880	5.135	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)c2Cl)cc1	772148955	WEDGIPZERHVRDM-UHFFFAOYSA-N	422.916	5.113	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](Cc2ccccc2)c2sccc2C)ccc1OC	772986219	NZKWYQBVRYQVRE-YADHBBJMSA-N	420.578	5.820	30	20	HKED	
N#Cc1cc(N[C@H]2CCCc3c(Cl)sc(Cl)c32)ccc1N1CCC(O)CC1	777119055	YRRNGANFBVNDAZ-INIZCTEOSA-N	422.381	5.377	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	780166711	SYTMMQQCEZAEGJ-OAHLLOKOSA-N	419.462	5.289	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)c2c1	780306427	XLSOOGDRHYAREK-QFIPXVFZSA-N	405.457	5.171	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(-c2cccc(C#N)c2)cc1	782589985	YGTXFKWTGFATOV-INIZCTEOSA-N	414.440	5.149	30	20	HKED	
CCCCOc1ccc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc1OC	787170460	WICHCIFQPDPGIZ-ZHZULCJRSA-N	406.482	5.029	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	791821480	BTZNRQQSUDXUPU-UHFFFAOYSA-N	408.889	5.533	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](c2cncc(Br)c2)C2CC2)cc1	793574070	YHLJJAXOKWLZPM-XOBRGWDASA-N	421.766	5.777	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1ccc(SC(F)F)cc1	795141184	XEKWEZCDUNDFQW-UHFFFAOYSA-N	410.559	5.554	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(Cc2ccccc2)c1Cl)c1nc(-c2ccccc2)cs1	796810753	MEBZNYJCIZQOCZ-KRWDZBQOSA-N	418.909	5.198	30	20	HKED	
O=C(O)C(=O)/C(=C/c1ccc(SC(F)(F)F)cc1)c1ccc2ccccc2n1	797006273	JKZAEHCLKJOYKO-RVDMUPIBSA-N	403.381	5.041	30	20	HKED	
COc1cc(/C=C2/SC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OCC#N	799204831	JOLQPPZTJYIBHN-DEDYPNTBSA-N	424.547	5.127	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)cc1	805918800	CBBBWLZYWHENNE-UHFFFAOYSA-N	419.477	5.134	30	20	HKED	
Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc(C#N)ccc3Cl)cc2)cc1	808027690	MFIHRSAPBSYWLQ-UHFFFAOYSA-N	404.853	5.016	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)n1	817319233	MGSMLZNATORPCH-NRFANRHFSA-N	421.591	5.909	30	20	HKED	
Cc1c(CNc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cccc1[N+](=O)[O-]	864030583	MZGFPUPWHBUHBN-UHFFFAOYSA-N	410.289	5.805	30	20	HKED	
N#CC(CCOC(=O)c1ccc(C(F)(F)F)cn1)(c1ccccc1)c1ccccc1	914890583	YMXKORPQZZXNCB-UHFFFAOYSA-N	410.395	5.157	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)no1	916683813	LHPAQWUALNGUFM-DENIHFKCSA-N	420.900	5.661	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2s1	916846135	IHWRJPUNVJQZTG-FPISAVPCSA-N	404.491	6.054	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1[C@@H](C)c1ccccc1	916913284	WAUHBMZKDSYJLX-OXJNMPFZSA-N	419.912	5.329	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C(F)(F)F)cc3)n2)cc1	916974169	FPONFBGMYDTYGS-QGZVFWFLSA-N	416.424	5.393	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)ccc2c1	917026140	WUVMFTUTQJYXFC-QWDXWUACSA-N	410.498	5.862	30	20	HKED	
N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	918487395	NJUMFOGQVWAZKK-AWEZNQCLSA-N	421.349	5.493	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1	919980207	FSQDTTKIPRJMIS-XMMPIXPASA-N	414.480	5.168	30	20	HKED	
COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(C)cc2)s1	920482177	HNJLJDGXERAWAH-UHFFFAOYSA-N	406.536	5.162	30	20	HKED	
CCCN(C(=O)c1cc(C#N)c(SC)nc1O)[C@H](C)c1ccc(Cl)c(Cl)c1	1355002800	IWSZCUDESZREPW-LLVKDONJSA-N	424.353	5.301	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)c2ccc(-c3ccco3)nc2O)cc1	1640748867	JXADQXPNKWSXFH-UHFFFAOYSA-N	413.458	5.322	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1	1789449818	XDZHIMBKZVPKGG-FXAWDEMLSA-N	416.512	5.324	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)[nH]n1	1821918056	FXARQLNLGHUXAQ-ZEYPLWLESA-N	422.573	5.054	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1OC	11599810	VUFKKCIGOIYHAC-UHFFFAOYSA-N	406.507	5.200	30	20	HKED	
Cc1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c(C#N)c1C	24590170	OIJAVVYJGGPEGT-SECBINFHSA-N	413.724	5.059	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)OCc2csc(-c3ccsc3)n2)c1C#N	26985427	KWPAWCNDORQACR-UHFFFAOYSA-N	413.549	5.095	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2OCc2cccnc2)nnc1C1CC1	54203252	XDSGDYSIEQSUDO-UHFFFAOYSA-N	412.946	5.261	30	20	HKED	
Cc1cccc(OC[C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	64768740	GKFSEORWCWCRTP-SFHVURJKSA-N	402.519	5.215	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	65104664	MNYLOPVHBRGEPO-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
C=CCN(C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1nc(-c2ccccc2)cs1	106196764	ODGAALHNHPKXTJ-OXQOHEQNSA-N	417.534	5.237	30	20	HKED	
CCN(C(=O)c1ccc(CSc2nc(C)cs2)cc1)[C@@H](C)c1ccc(C#N)cc1	108878187	FIXJUNWDSQTQIO-KRWDZBQOSA-N	421.591	5.839	30	20	HKED	
C[C@@H](Nc1ccc(CC#N)cc1)c1nc2cc(Cl)ccc2n1Cc1ccccc1	248277996	ZMOPQQNWUOQLKO-QGZVFWFLSA-N	400.913	5.977	30	20	HKED	
Cc1cccc(-c2nnc(Sc3snc(Cl)c3C#N)n2Cc2ccco2)c1	301921002	FGLCTQDAFWBKOM-UHFFFAOYSA-N	413.915	5.028	30	20	HKED	
Cc1nc(CN(C(=O)CCCCOc2cccc(C#N)c2)c2ccc(F)cc2)cs1	303496588	QTBCTONJCCCSSB-UHFFFAOYSA-N	423.513	5.245	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)cc1	409944624	BBDIOCPNUQTFQY-PMACEKPBSA-N	415.320	5.039	30	20	HKED	
CC(C)N(CCCC1(C#N)CCOCC1)Cc1ccc(-c2ccc(F)cc2)s1	410341586	AFEUIDFUPRNSCH-UHFFFAOYSA-N	400.563	5.865	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCc2sc(Cl)cc21	426048038	IDWHIGGAWVPCRT-KRWDZBQOSA-N	406.983	5.344	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(F)(F)F)c3)n2)cc1	431169578	MHFKBXDLILSSCO-KRWDZBQOSA-N	416.424	5.550	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H](c1ccccc1)c1ncc[nH]1	432756674	ZKFMNTZLVZBAOC-QHCPKHFHSA-N	423.476	5.327	30	20	HKED	
C=CCN(C(=O)c1cc(C#N)cn1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	433496185	DHRHJKNUQCNLPJ-UHFFFAOYSA-N	417.321	5.160	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2nc(CCc3ccccc3)no2)cc1F	437522042	HDVKIHRTBSSLJK-UHFFFAOYSA-N	414.440	5.270	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1Cl	437740563	YTKUNEDIKABSSZ-GOSISDBHSA-N	421.850	5.802	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOC[C@H]1c1ccccc1	437838622	LLLIKQZFHDWAIV-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)s1	438214830	LCFXGBLIMGFFGA-INIZCTEOSA-N	420.538	5.903	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1OCC(F)(F)F	438337383	YHZXXPRZYJVPHN-RTBURBONSA-N	417.431	5.240	30	20	HKED	
C=CCn1c(SCc2ccc(C#N)cc2OC(F)F)nnc1-c1ccccc1F	439542425	AUVWWJXWRRKGQV-UHFFFAOYSA-N	416.428	5.036	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(CNc3ccccc3)cc2)c2ccccc21	444795872	NGTHNXFIJAVEAS-UHFFFAOYSA-N	408.505	5.809	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	447609131	JEIDPKXLWGRBGR-LJQANCHMSA-N	404.491	5.210	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccoc2C(F)(F)F)cc1	463472323	VIISCXAWXUJXHM-UHFFFAOYSA-N	402.347	5.152	30	20	HKED	
Cn1c(C(=O)Nc2ccccc2SCCC#N)cc2cc(C(F)(F)F)ccc21	463797825	RKWQSJKIHLJRTC-UHFFFAOYSA-N	403.429	5.455	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCCCC[C@H]1/C=C\c1cccs1	466617909	KMRIBGDFDFVLSB-JYBLJSLWSA-N	410.543	5.316	30	20	HKED	
C[C@@H](c1nnc(SCc2cc(F)ccc2C#N)n1-c1ccccc1)N1CCCCC1	469038388	UEHVWZISDABNCX-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
CC[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[C@@H]1c1ccccc1	470019742	HWKFYXUJEIGDKF-CVDCTZTESA-N	414.505	5.386	30	20	HKED	
Cc1cnc(C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)s1	470109205	IVZYMDIHYFKHEY-UHFFFAOYSA-N	419.575	5.494	30	20	HKED	
C[C@@]12CC3CC(C(=O)Nc4ccc5c(c4)CCC(=O)N5CCCC#N)(C1)C[C@](C)(C3)C2	470773484	OKBBLFWKLLFZJF-WNPZUFKQSA-N	419.569	5.205	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	471165374	NYOKNWDXHIRIAW-UHFFFAOYSA-N	406.461	5.087	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3ccccc3)c3ccc4ccccc4c3)o2)c1	471669241	PLMQEWMCNKMHNR-AREMUKBSSA-N	416.484	5.641	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	472816358	UXQXNXZCVHNNJQ-IEBWSBKVSA-N	404.491	5.046	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2)cs1	474443449	CZJKSDRAASCSNM-KRWDZBQOSA-N	413.593	5.814	30	20	HKED	
C=C(C)[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(F)c(F)c1	477740957	DDFLAQYHEKCMQQ-NDXORKPFSA-N	419.541	5.026	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2)cc1	480402548	GVWPGBSIKGOEIH-QGZVFWFLSA-N	401.466	5.584	30	20	HKED	
C=CCn1c(S[C@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1ccccc1C	481341388	MTUYFGKMNFFWDA-NRFANRHFSA-N	420.582	5.141	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1cccs1	481368937	GQYXDZAOVDOUMF-UHFFFAOYSA-N	416.478	5.418	30	20	HKED	
C=CCn1c(SCc2cc(F)cc3c2OCOC3)nnc1-c1cccc(Cl)c1	481376173	UWLUQEXPCWVXMD-UHFFFAOYSA-N	417.893	5.082	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)s1	481648494	XTLWIEUHEPBZFF-UHFFFAOYSA-N	416.531	5.674	30	20	HKED	
N#CC1(F)CCN(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)CC1	483788817	SXOPQUPDQXJUFT-UHFFFAOYSA-N	409.248	5.040	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	485496525	WIMKHMDMIMIWKH-GDLZYMKVSA-N	421.587	5.666	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)NC12CCC(C(F)(F)F)(CC1)CC2	488252270	QSNCUXJKGOGVHU-UHFFFAOYSA-N	413.443	5.258	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F	489653644	NUCODNFOODWQEA-UHFFFAOYSA-N	413.783	5.487	30	20	HKED	
C[C@H](Sc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	489688185	QPRCXWZRIJZUAC-NSHDSACASA-N	424.869	5.127	30	20	HKED	
Cc1c(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)sc2ccc(C#N)cc12	494518862	HYOOMSMUOSZTBT-OAQYLSRUSA-N	401.466	5.135	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(OC2CCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	496570501	IUXXBFQVLXIGQI-QGZVFWFLSA-N	409.898	5.280	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1	497808463	PLBJITIURXPEJV-VXKWHMMOSA-N	418.443	5.352	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@@H](c2cccnc2)c2cc3ccccc3o2)CC1	498801032	OOWCXXXLYUSZFI-GMKWRKAISA-N	423.516	5.769	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)[C@H]1CCC[C@H](C)C1	499312250	KMXNYFOFVUVYGI-HBTLOVQCSA-N	420.601	5.338	30	20	HKED	
N#Cc1c(NC(=O)c2cccc([C@H]3CCCOC3)c2)sc2c1-c1ccccc1CC2	499630233	FNDDZFVGOOUZEV-IBGZPJMESA-N	414.530	5.532	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	499887055	ODUKMXSVCYLXSU-JOCHJYFZSA-N	408.860	5.129	30	20	HKED	
COCCN(C(=O)c1cc(F)c(F)c(F)c1F)[C@H](C)c1cccc(C(F)(F)F)c1	500319775	COAWFJUHCMERPL-SNVBAGLBSA-N	423.328	5.112	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2)cc1	503549258	BISOILQVNVQWEY-LJQANCHMSA-N	407.351	5.254	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	506633144	IGTICBQBKDLIRW-UHFFFAOYSA-N	412.493	5.255	30	20	HKED	
CC(C)c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C(C)C)c1	509572659	CIHPWHDTQRLGOJ-UHFFFAOYSA-N	405.542	5.880	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1	510673722	FFLXPVRGPVUFEJ-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCc2ccccc2)nc1)c1nc2cc(Cl)ccc2s1	511698845	CXDDPVQIJYPHQM-QGZVFWFLSA-N	419.893	5.414	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1cccc(Cl)c1Cl	512101023	RTHFINJIDFBVQL-LJQANCHMSA-N	424.287	5.240	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(C)nc1-c1cccs1	512786602	CGCXYNNJLKJIRX-UHFFFAOYSA-N	414.490	5.373	30	20	HKED	
COc1cc(CN(CCC#N)Cc2ccccn2)ccc1OCc1ccc(Cl)cc1	513742583	YYNYHEYUOJSOBW-UHFFFAOYSA-N	421.928	5.238	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1	517437385	FITPQSFESLUTHO-OAHLLOKOSA-N	422.531	5.639	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)c1	519221003	DNDASLDMQUYDBX-RUZDIDTESA-N	411.505	5.112	30	20	HKED	
CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2-c2ccccc2C#N)c1	521238548	IYVGGCUZPNZAEO-UHFFFAOYSA-N	411.505	5.140	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1	521726258	PAYCSANEFIVGCQ-CYBMUJFWSA-N	413.955	5.968	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1	524386774	VHYSUXOCLCUUNV-UHFFFAOYSA-N	402.397	5.470	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc2ccccc2s1	525952393	XLADDLWRFMHAFF-CVEARBPZSA-N	409.580	5.585	30	20	HKED	
COC[C@H](C)n1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	527082193	RPZYDHAIOHEBNR-KXBFYZLASA-N	423.904	5.043	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)c1ccncn1	527349099	BUKZQJWUKBHJCU-KRWDZBQOSA-N	419.893	5.659	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccn(CC(F)(F)F)n2)cc1Cl	534152169	DCUDNGKPNYVWRH-UHFFFAOYSA-N	420.778	5.015	30	20	HKED	
C=CCCC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1	534242229	KGGMIKQZWXWYKO-UHFFFAOYSA-N	415.559	5.095	30	20	HKED	
COc1ccc(Cl)cc1[C@H](CC(C)C)NCc1nnc(-c2ccc(C#N)cc2)o1	537113047	VRMRLKLBLZEFNS-IBGZPJMESA-N	410.905	5.147	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2cccc(F)c2)c2cccc(Br)c2)s1	537319915	WJFXCSSKHDYUKD-LJQANCHMSA-N	401.304	5.401	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@@H]3CCCc4nc(-c5ccc(F)cc5)sc43)cc2)CC1	540722763	UHDQLDGIPVZKTH-LJQANCHMSA-N	417.509	5.312	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1	541653384	MXEDBIUJQULLAL-ZDUSSCGKSA-N	411.914	5.302	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)c(Cl)c1	542038170	QRKMQBJOAJCOMC-UHFFFAOYSA-N	423.863	5.188	30	20	HKED	
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)sc1C#N	556425273	CCDYKIZUHPXNKV-UHFFFAOYSA-N	422.304	5.149	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1	557605522	AFBHQHVPEBCVMB-KRWDZBQOSA-N	407.480	5.581	30	20	HKED	
C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1	558982392	MMAHAZFZCCARLK-UHFFFAOYSA-N	423.904	5.293	30	20	HKED	
COc1cc(Br)ccc1CNc1ccc(Oc2ccnc(C#N)c2)cc1	561401386	RBHYVMWUVPFXNX-UHFFFAOYSA-N	410.271	5.129	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cc2)ccn1	569281062	JYMNXZXRDJRVJU-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCC(F)(F)CC1	569374139	QDYWKFCDMGSVJL-LJQANCHMSA-N	417.887	6.037	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)nc1	571595555	WSPDYHIMVUQKLH-UHFFFAOYSA-N	417.925	5.206	30	20	HKED	
C[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	573874079	QDSPKCWZAJIEOP-QVKFZJNVSA-N	419.868	5.646	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	576321276	CITPSGOXJOAFCP-HNNXBMFYSA-N	406.873	5.147	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1	576810962	JMZZXIVLTGINEE-UHFFFAOYSA-N	412.436	5.327	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccccc1C(C)(C)C	603600813	AFBUHVMPFMWCDC-UHFFFAOYSA-N	415.493	5.369	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C	608843384	LCRWYUOOCKFVAM-OAQYLSRUSA-N	415.459	5.672	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)s1	609020119	KHUKCBFUCZALFV-UHFFFAOYSA-N	406.467	5.354	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F	609066484	LFTTULYKMWEKRZ-UHFFFAOYSA-N	419.840	5.497	30	20	HKED	
Cc1cc(C)c(-c2csc(NC(=O)c3cc4ccccc4n3CC#N)n2)c(C)c1	609200445	FABXCTWLAFMCIN-UHFFFAOYSA-N	400.507	5.466	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209079	QUPVRWKEKMBTBV-KRWDZBQOSA-N	411.461	6.322	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1	609297615	UGLVWYPCNDWNNU-UHFFFAOYSA-N	403.438	5.164	30	20	HKED	
N#C[C@H](NC(=O)CCOc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	609462421	HEXUHNONZYQWNC-HNNXBMFYSA-N	417.214	5.162	30	20	HKED	
Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1Oc1ccncc1	609642037	UCORNELOUVQGOB-UHFFFAOYSA-N	409.445	5.494	30	20	HKED	
C[C@H](C1CC1)n1nccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609723364	KCDYKUDEWZRHBA-CQSZACIVSA-N	406.873	5.424	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1)c1ccc(C#N)cc1	609813720	IRXRQFYHEFUVAN-OALUTQOASA-N	410.546	6.279	30	20	HKED	
COc1ccccc1CS[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	609852799	QNXWYDAGFAUJLP-AWEZNQCLSA-N	400.569	5.158	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1	609930313	ZNQNJBMCKKHXBN-JTSKRJEESA-N	402.523	5.244	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609981566	MWNMPJAEXGAEQN-NRFANRHFSA-N	405.885	5.622	30	20	HKED	
COc1cc(C#N)ccc1OCCSCc1ccc(C(=O)Nc2ccccc2)cc1	610139976	KTHODDGDBOKGSB-UHFFFAOYSA-N	418.518	5.131	30	20	HKED	
N#Cc1ccc(-c2nnc(COc3ccc4ccccc4c3Br)o2)cc1	610218339	BRIPCVMNPOGMFR-UHFFFAOYSA-N	406.239	5.103	30	20	HKED	
Cc1cccc2c(N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c(C#N)cnc12	610276010	WCQOYPUBERPAPG-NRFANRHFSA-N	416.912	5.021	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)c(C)c2)n1	610323453	QDHULASLIXCTNT-HNNXBMFYSA-N	408.552	5.666	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccccc1Br	610674080	MMUKIKCZRXZKMX-SFHVURJKSA-N	414.303	5.088	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1C	611996433	WOPXZKIYPDCKHM-UHFFFAOYSA-N	421.547	5.167	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)c1ccccn1	613296574	KUPQSGZNNXKACK-FQEVSTJZSA-N	410.498	5.879	30	20	HKED	
CCOc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346720	ORMSJSFDPFDUJM-OAHLLOKOSA-N	417.317	6.006	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2cc(Cl)ccc2s1	613402498	CESYIPRRGCKBLR-CYBMUJFWSA-N	413.886	5.702	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c2ccccc21	618180302	VJTOPKHAGRAIEE-SFHVURJKSA-N	412.493	5.106	30	20	HKED	
Cc1nc2ccccc2n1C1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1	619450676	XGRRATYISUZCSR-UHFFFAOYSA-N	413.308	5.001	30	20	HKED	
CCCCn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1	681173478	ANTUDOIPBYBMCT-CYBMUJFWSA-N	406.433	5.110	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cc(Cl)cc(Br)c2OCC)c1	726454206	VMRUIZKXHKNXBE-UHFFFAOYSA-N	409.736	5.291	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	727627599	HRUYDGHJWZOITK-NRFANRHFSA-N	404.535	5.798	30	20	HKED	
COc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	727979029	UBSWJDDMDMHUDT-UHFFFAOYSA-N	403.507	5.263	30	20	HKED	
CSc1cccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728200902	RZOGGEOCRBBJFQ-UHFFFAOYSA-N	421.497	5.049	30	20	HKED	
CC/C(=C/C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	728800492	CMMRSJHZHGIVAV-ATVHPVEESA-N	406.536	5.134	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)on1	730990454	WTQSKXTZWMDRHY-HNNXBMFYSA-N	423.563	5.779	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1	731062837	MCYRJLULGJSTNY-INIZCTEOSA-N	410.539	5.174	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1	731976909	CYEOVJGCMGSOKY-OBGWFSINSA-N	400.453	5.513	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1	732056368	CMDCYLWWBBVPRA-UHFFFAOYSA-N	411.505	5.075	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OC(F)F)cc1	732398200	AEIIWHUJRGQLQE-CQSZACIVSA-N	410.376	5.265	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(-c3c(F)cccc3F)o2)S1	734366926	DPAOLHLNVZZJAL-WQRHYEAKSA-N	410.445	5.733	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccncc1	734459297	GGMFPZFWGKUJTD-KRWDZBQOSA-N	400.450	5.459	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CSc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	735770603	UKMZJOAWEDJRKX-STQMWFEESA-N	404.438	5.381	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740060682	XBFILYKARIAFIA-UHFFFAOYSA-N	414.534	5.280	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(-c2cnn(C)c2)c1	741547376	GFTGIXUZBFPQNW-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccccc2OCC(F)(F)F)S1	741853288	VCTSDYHHIYDBFG-MHWRWJLKSA-N	406.429	5.136	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12	751339042	ZSFPJDXHNYFQDF-OAHLLOKOSA-N	422.326	5.286	30	20	HKED	
C/C(=C/c1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	759267118	GINUGWMUNDLWBZ-SZJVNEJHSA-N	403.894	5.615	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccc(F)cc3OCC#N)cc2)cs1	761667723	DCSWSKYFMGSTDW-CYBMUJFWSA-N	410.474	5.043	30	20	HKED	
N#C[C@H](C(=O)[C@H](c1ccccc1)C1CC1)c1nc2cc(C(F)(F)F)ccc2s1	765915105	JJXKBQZBCXAOSR-CRAIPNDOSA-N	400.425	5.685	30	20	HKED	
Cc1nn2c(C=NNc3ccc(Br)cc3Cl)c(C(C)C)nc2s1	766715097	LOTWUOUENSZYEC-UHFFFAOYSA-N	412.744	5.085	30	20	HKED	
Cn1c(C(C)(C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc2ccccc21	771114606	LTEKFCRLYFVYHG-NRFANRHFSA-N	423.520	5.286	30	20	HKED	
C=CC[C@H](NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccncc1	771324703	QTDUADVCFWFDHY-RBUKOAKNSA-N	421.488	5.217	30	20	HKED	
C[C@@H](CSCc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	772972710	VYXPLUHGFIVUIH-XJKSGUPXSA-N	421.349	5.210	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2sccc2Br)ccc1OC	772984436	FOOYYLVVDRKIKI-JSGCOSHPSA-N	409.349	5.051	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	775489652	WPEKVIFKIIMOIW-NWVWQQAFSA-N	413.521	6.249	30	20	HKED	
C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN2CCC(CC#N)CC2)c1=S	781571093	FWQAYZSASMLQAW-LJQANCHMSA-N	417.582	5.274	30	20	HKED	
C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782524212	QFSMEKVSHMCNGV-SFHVURJKSA-N	415.562	5.850	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	782550723	XWLGCMJMUURICK-UHFFFAOYSA-N	422.569	5.006	30	20	HKED	
Cc1ccncc1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	784834167	XSOPNOBPWKNSKL-AUYOJAJCSA-N	414.317	5.710	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C(F)(F)C3CCOCC3)cc2Cl)cc1	790468705	SNBOQNMHAOIOHE-UHFFFAOYSA-N	406.816	5.004	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1)c1ccccc1	796793362	PGVYAQOVTHATKQ-FDDCHVKYSA-N	424.422	5.821	30	20	HKED	
N#CC1(CCCOC(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)CCOCC1	800169945	IGOXDAFDOWBBSS-MZLICYQSSA-N	415.961	5.333	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1	802043528	FITXCRLNQFIWFT-AEFFLSMTSA-N	418.415	6.024	30	20	HKED	
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccnc(O)c1	806555494	FAIUAVDSZJIZCU-FLIBITNWSA-N	415.880	5.249	30	20	HKED	
N#CCCCCCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1	808304802	RTALRUPSMULWRJ-UHFFFAOYSA-N	403.404	5.370	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)c1	863939719	KMFNNXNRASITOG-MRXNPFEDSA-N	416.502	5.131	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(Br)cc2)cc1	914773312	DVXPSHCITFVTQX-UHFFFAOYSA-N	403.324	5.159	30	20	HKED	
Cc1cc(C)c(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1	916000830	WCBCOLXTJYGGTA-UHFFFAOYSA-N	421.953	6.216	30	20	HKED	
C=CCOc1ccc(/C=C(/Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc1	916127791	HTCYBKCCEWFIEE-MHWRWJLKSA-N	406.791	5.244	30	20	HKED	
N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccccc1	916899084	LFVWGXWNEGDBHX-GOSISDBHSA-N	413.502	5.027	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1C(C)(C)C	916930885	HOULZFUBESQLPM-ZDUSSCGKSA-N	421.328	5.029	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997869	ZDPSKUUYKSHQCT-GUYCJALGSA-N	415.345	6.487	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1	917047498	YRONGNGLAFSCDC-PGRDOPGGSA-N	418.905	5.946	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccc(Cl)c(Cl)c2)cs1	917530796	BXFHPYLZXMVQJY-UHFFFAOYSA-N	423.300	5.720	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)CCC1	1790284382	RFVPRMQLHYBNPJ-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1	1791251897	XZBHGJKEDPTZQE-MWTRTKDXSA-N	402.485	5.078	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1	1792126854	NCEFFBXNBTWSHO-RTBURBONSA-N	415.537	5.274	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/Sc3ccc(C)cc3)CCC2)cc1	1792264787	FMPSZGUVAMQTRF-OBGWFSINSA-N	418.562	5.148	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1	1830059968	IQAHDHPOMKILSW-RUZDIDTESA-N	422.613	5.237	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)CCCCC)CC1	1831464744	FBOCIIPOQNINMP-ICSRJNTNSA-N	412.565	5.034	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832372082	QBUQHSNJWJQLLY-MSNJVRRCSA-N	414.634	5.201	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccccc1)[C@H](C)CC	1847263394	HEPKRXRBSMNUEP-SWUCNREESA-N	410.602	5.011	30	20	HKED	
C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(Br)cc1	10611060	DITCLBBETCORKO-UHFFFAOYSA-N	411.328	5.058	30	20	HKED	
Cc1sc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c(C#N)c1C	22134384	MUYWZLSABJHHGT-UHFFFAOYSA-N	421.551	5.543	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(C)c2C)cc1	22729426	RSHASQOGIPEQRS-UHFFFAOYSA-O	423.627	5.964	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1	32052084	BWDBUSZPJXCPEX-RUZDIDTESA-N	412.489	5.123	30	20	HKED	
CC(C)OCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	41548572	YNHVGWNZHCYSKK-MRXNPFEDSA-N	418.440	5.730	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1	55722669	VSNXCSGMNPDPOJ-UHFFFAOYSA-N	412.898	5.471	30	20	HKED	
N#CCN(C(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccccc1	58117831	IERUGFMITAQPJP-UHFFFAOYSA-N	416.531	5.007	30	20	HKED	
Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c(C)n1-c1cccc(Cl)c1	72087443	HDQLXRMGSYIKJC-UHFFFAOYSA-N	408.889	5.077	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCOc2cccc(Cl)c2Cl)cc1	111183623	RKKWFRSDIFOTIF-UHFFFAOYSA-N	407.297	5.108	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1	195662818	YITXLEVPBYDPFC-GUYCJALGSA-N	415.440	5.594	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1cnn(-c2ccc(F)cc2)c1C	214113573	QKKSIKUYNQBWEK-YPKPFQOOSA-N	400.457	5.018	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1	255935138	FYISOWJKDOVROG-UHFFFAOYSA-N	415.518	5.158	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	303449677	JEJCFHIFUUEKEA-JKSUJKDBSA-N	412.238	5.284	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1	303772324	JLQCJYNNCIEQPR-UHFFFAOYSA-N	408.567	5.403	30	20	HKED	
C=CCCc1ccccc1NC(=O)CCC[S@](=O)c1ccc(Br)cc1	410351977	GXOFEILQBXLUKV-VWLOTQADSA-N	420.372	5.094	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1	426116472	YCDUVPMKJMZHEW-MRXNPFEDSA-N	401.413	5.059	30	20	HKED	
O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc(C(F)(F)F)c1F	429795488	YKPXCKIPDMNBFE-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1F	430600301	HGQFJTWENQQFQL-AWEZNQCLSA-N	401.507	5.054	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCc3cc(OCc4ccccc4)ccc32)c1	430950976	TXKBHKHFNLGPHA-UHFFFAOYSA-N	414.530	5.474	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431473563	SZEHGPIXVRYTTR-JXFKEZNVSA-N	403.448	5.371	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1OCCc2sccc21	432759391	RQWHWEXBWXUKJH-QRQCRPRQSA-N	419.506	5.236	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433129377	DFBRITZCGNHNKM-HXUWFJFHSA-N	406.530	5.536	30	20	HKED	
CCCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](C)c1cc2ccccc2o1	435126745	QITVBEXUZUIVOJ-LJQANCHMSA-N	413.525	5.578	30	20	HKED	
N#CCCn1cc(-c2csc(N[C@H]3CCOc4ccccc43)n2)c2ccccc21	437663403	WURWULHHPPGALG-IBGZPJMESA-N	400.507	5.614	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C)cc1	438186219	GABPWVCLWISGQR-QGZVFWFLSA-N	413.477	5.338	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C	438224264	PAXGYSZDOITPEK-SIKLNZKXSA-N	404.514	5.037	30	20	HKED	
Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c(-c2nc(C3CC3)no2)c1	439481453	ZMBVOVIUAMWHGC-LJQANCHMSA-N	401.470	5.089	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1ccc(C#N)cc1OC(F)F	439558069	XNLNGBJBQWSIQT-INIZCTEOSA-N	413.468	5.095	30	20	HKED	
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CCC#N)c1ccccc1	439676971	YYXKUBHPQXGOBM-GUYCJALGSA-N	421.722	5.031	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)c3ccc(C#N)cc3)cc12	439937309	XUONPIRMVPLWCP-UHFFFAOYSA-N	406.898	5.197	30	20	HKED	
N#CCC[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccccc1	440396663	HIJILRFUKQYZJB-KRWDZBQOSA-N	414.383	5.620	30	20	HKED	
O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CCC(C(F)(F)F)CC1	446369929	OZMVIOOHMYLGJO-LBPRGKRZSA-N	406.729	5.066	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2cccc(C3CCC3)c2)nnc1-c1ccco1	462385021	TYTQXQCXMMKPRP-UHFFFAOYSA-N	408.527	5.113	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1Cl	463374972	KQPGGXFBQDPHEQ-GMAHTHKFSA-N	418.949	5.965	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)s1	463748267	JUSDILGTDXHNFY-VXGBXAGGSA-N	409.374	5.647	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)c1ccc(Cl)cn1	469506344	FZKQNDRLEMHAFB-UHFFFAOYSA-N	419.868	5.309	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccn(C3CCCCC3)n2)cc1	470824788	AHFIHDXAHRHISK-UHFFFAOYSA-N	414.509	5.286	30	20	HKED	
Cc1ccc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccn2)cc1	471275853	DIRBBQHSVZWLBB-JPYJTQIMSA-N	416.550	5.695	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1cccc(Br)c1	476131412	DOVCGGQYVSIIMT-UHFFFAOYSA-N	404.373	6.032	30	20	HKED	
N#CC[C@H](CC(=O)N1CCc2c(Br)ccc(Cl)c2C1)c1ccccc1	476694870	SWVWLNRHPSTTLG-OAHLLOKOSA-N	417.734	5.075	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1nc(-c2cccs2)oc1C	481389184	HOXWNVFNKTWFBQ-UHFFFAOYSA-N	424.551	5.360	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NC3CC(F)(c4cccc(Cl)c4)C3)cc2)nc1	483013294	LFAMTYDDKSRJAD-UHFFFAOYSA-N	421.859	5.156	30	20	HKED	
CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)Cc1ccccc1C(F)(F)F	483415823	WQAXJSAKADRECZ-HNNXBMFYSA-N	414.431	5.080	30	20	HKED	
CC(C)c1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccccc1	486894752	CECAIJWFZVESSN-UHFFFAOYSA-N	411.509	5.189	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@H](CCCC#N)c1ccccc1	487293520	BRPXTVVYEDELBS-DNVCBOLYSA-N	417.372	5.481	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1csc(-c2cc(Br)cs2)n1	490290616	SPXVSMZZPHIKQW-UHFFFAOYSA-N	423.357	5.098	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	494173822	UXVGRVMEFIBJAL-UHFFFAOYSA-N	417.840	5.535	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)ccc1Cl	494722793	GYNMARKARFZRTA-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)c2ccccn2)c1	499863180	MGGRJKADUIDRTM-AREMUKBSSA-N	418.500	5.096	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)o2)cc1	500329831	KMHCBLOMCQNLIL-UHFFFAOYSA-N	401.510	5.139	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	501441372	GEZZZEUSCLREKH-UHFFFAOYSA-N	410.395	5.603	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1	502596981	RWKYNDDIUSWGKN-IBGZPJMESA-N	408.542	5.475	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	503343630	LGVZZFRLFGYMIJ-UHFFFAOYSA-N	406.574	5.401	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CC1	506658686	DEEMCWBSBSVRPE-UHFFFAOYSA-N	422.382	5.189	30	20	HKED	
O=C(NCc1c(F)cccc1OC(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509212981	SRAIHRWMMXEKRP-AWEZNQCLSA-N	424.316	5.059	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1	510373282	GNHDWDMZJJSPTG-UHFFFAOYSA-N	416.333	5.584	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(-c4ccccc4)noc3C)n2)cc1	512508150	FPLAQSJWGJSKJE-SFHVURJKSA-N	415.474	5.272	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCCN(C2CCC2)C1	512913690	WXAWNJAXBQMVEI-AZUAARDMSA-N	418.541	5.125	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C)cc3OC(F)F)n2)cc1	512943664	RSWCZJCBZXHWQD-ZDUSSCGKSA-N	404.463	5.580	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	513139990	AMSMYOLITPXIOF-UHFFFAOYSA-N	419.356	5.430	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1	513232640	PYEWSOFILAIFNN-SFHVURJKSA-N	417.484	5.396	30	20	HKED	
Cc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c2ncccc2c1	513275460	FNHDRWYBUMUYQQ-UHFFFAOYSA-N	409.493	5.190	30	20	HKED	
C=CCOc1cccc(CNC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1	513631708	GHKDDFBUGJAIGI-UHFFFAOYSA-N	404.476	5.024	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cs1	513667119	RMLKOPLVXIHOFD-QGZVFWFLSA-N	418.547	5.121	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)Oc1ccc(F)cc1	514495852	PPSLMBLLQUZDPH-KRWDZBQOSA-N	406.432	5.146	30	20	HKED	
CCc1ccc(N(C(=O)COc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1	515320988	HFQSSLMMVFZTPV-UHFFFAOYSA-N	413.502	5.474	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518371584	YIYNTYKGTFVTPO-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2[N+](=O)[O-])C1	519402362	JQNVAKGOSPGTRT-MRXNPFEDSA-N	424.526	5.089	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1Oc1cccnc1	519913102	GHUSQJFJUANFQC-UHFFFAOYSA-N	414.509	5.744	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cnn(-c3ccccc3)c2)cc1	519977743	RCMFTBOZSKDHGY-UHFFFAOYSA-N	410.502	5.289	30	20	HKED	
COc1ccc2oc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)c2c1	520429160	IOYIHWVAXYGUIT-AWEZNQCLSA-N	424.428	5.642	30	20	HKED	
CCCC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OC)cc1	521075665	HXSOZAFLOJGRPK-HSZRJFAPSA-N	415.493	5.415	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H]1c1nc2ccccc2s1	523590826	FMJTUQODNYNCDI-QFIPXVFZSA-N	424.529	5.460	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c(F)c1	525629341	XQLDNVWJAZVSFM-QFIPXVFZSA-N	408.523	5.025	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c(F)c1	531032810	SZBOBECWNHKKHG-UHFFFAOYSA-N	408.795	5.285	30	20	HKED	
COC(=O)c1cccc(CN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c1C#N	535895429	XHJIZIIIEDTWLV-QFIPXVFZSA-N	408.860	5.017	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1Cl	536414441	NKPCTSUOWFMWHF-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(OCc2nccn2C)cc1	538114822	SQHOIKJCYCECTD-HXUWFJFHSA-N	422.532	5.389	30	20	HKED	
Fc1cccc(-c2nc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)co2)c1	539421589	OZMWIZSZXPXGEQ-INIZCTEOSA-N	418.312	5.893	30	20	HKED	
C[C@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	541995226	KGCCCTHURAYFPX-IBGZPJMESA-N	406.489	5.658	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N[C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)s2)cc1	543516667	KHWZBUUIVIJRFE-HOCLYGCPSA-N	422.554	5.186	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCO)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	543880554	BHZZDEMJQDKJJF-UQBPGWFLSA-N	413.521	5.099	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1C1CC1	543890580	WFTYUSLDGNKOES-CYBMUJFWSA-N	423.908	5.086	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2	550112020	KLDCNPKLFXARDG-UHFFFAOYSA-N	423.925	5.395	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1OCCc2ccccc21	561608440	VOTORGVGMOABSV-GOSISDBHSA-N	420.456	5.354	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C	569669356	OJGKKOQHMDXREQ-MRVPVSSYSA-N	409.374	5.438	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(-c2ccc(Cl)cc2)no1	573853581	OAGODJDDFFUYDQ-AWEZNQCLSA-N	417.856	5.622	30	20	HKED	
CC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1O	576622953	AXDUVSAEJCVQOU-UHFFFAOYSA-N	402.475	5.011	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)c2cc(C#N)ccc2Cl)nc1-c1ccc(Cl)cc1	579863678	HSWHSVNCWMNOEJ-LLVKDONJSA-N	416.333	5.788	30	20	HKED	
C=CC1CCN(c2nnc([C@H]3OCC[C@H]3c3ccccc3)n2Cc2cccs2)CC1	582254631	KSERINNNZPPRGX-VXKWHMMOSA-N	420.582	5.036	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1	592973613	IETUUNQPGALEMC-SFHVURJKSA-N	423.513	5.188	30	20	HKED	
N#C[C@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1Cl	595471240	MJNDVHWDFNEDBA-IBGZPJMESA-N	411.288	5.491	30	20	HKED	
COc1ccc(-c2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)co2)cc1	602218586	QHQNDLUDBJLDKM-UHFFFAOYSA-N	405.401	5.236	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)C2CCCCC2)cc1Cl	604566637	NMROMEMCADZLER-NRFANRHFSA-N	423.944	5.021	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)oc2c(F)cccc12	609064728	GAHSXZOWEXXBEJ-UHFFFAOYSA-N	400.409	5.583	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSCc2ccccc2)c1	609713554	CSMIPFVMGXMACV-UHFFFAOYSA-N	401.535	5.656	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCC(F)(F)F	610019773	RMAJWFBYPZNZLZ-UHFFFAOYSA-N	405.420	5.250	30	20	HKED	
CC[C@](C)(NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C)cs1	610184768	LVFQSXUBDRVYPM-QFIPXVFZSA-N	409.486	5.310	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	611095320	PVOCYFSPDQWQLE-UHFFFAOYSA-N	406.511	5.292	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1	614888524	ASGHLKHIJNLBOD-UHFFFAOYSA-N	400.906	5.076	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(NC(=O)c2ccccc2Cl)c1	618741396	FRGRWPYAKRZMTE-QHCPKHFHSA-N	401.897	5.241	30	20	HKED	
CC(C)C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	642281795	LFGUADNIGXVOJW-SFHVURJKSA-N	423.925	5.548	30	20	HKED	
COc1cc(C)c(Br)cc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	671764183	JWEYCBBFLCCJHC-LBPRGKRZSA-N	419.275	5.005	30	20	HKED	
O=C(Nc1cc(C(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	676136050	YAJXMPLYRBIALW-OCAPTIKFSA-N	410.692	5.482	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccc2ccccc2n1	677557016	AWJHPVYWQQXEIO-FQEVSTJZSA-N	400.441	5.335	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	679979008	CZOXGPDGJHJRBI-IBGZPJMESA-N	414.461	5.465	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3ccccc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727267873	UZQSCKGUGCESJO-HJWRWDBZSA-N	409.423	5.139	30	20	HKED	
C=CCOc1c(Br)cc(CNC(C)(C)c2ccc(F)cc2)cc1OC	728594937	WKSGCCFWKJQXCW-UHFFFAOYSA-N	408.311	5.187	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc2cc(F)ccc2s1	730416514	DXJCIRIBFUVEHG-CQSZACIVSA-N	400.525	5.404	30	20	HKED	
Cc1c(C(=O)/C=C/c2c(Cl)nc3sccn23)cnn1-c1cccc(Cl)c1	731565484	QSOIPWZEKHERKM-AATRIKPKSA-N	403.294	5.093	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1	731646186	ZFAXMPNQOCITTQ-KRWDZBQOSA-N	420.296	5.335	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc2ccccc2s1	734205033	AXZGUKOZBKHNLJ-UZLBHIALSA-N	412.518	5.834	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1cccc(Br)c1)C(C)C)c1ccncc1	734681796	ZHADMLKQZGCSPN-LJQANCHMSA-N	402.336	5.082	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1ccc2ccccc2n1	735395776	CEDGIBCZCQPVSY-QFBILLFUSA-N	407.311	5.442	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1ccnc2ccccc12	735439776	VFDASZUKLPWJTE-XFXZXTDPSA-N	419.484	5.646	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	741059133	MRRQAGLMQRAVLP-VWLOTQADSA-N	408.505	5.040	30	20	HKED	
Cc1cccc2c(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c12	741438596	RGLOTYIWNHSLQV-OAHLLOKOSA-N	407.445	5.297	30	20	HKED	
Oc1nncc(NN=C(CCSc2ccc(F)cc2)c2ccc(F)cc2)c1Cl	741462181	KKZXVPDAQCNLNG-UHFFFAOYSA-N	420.872	5.112	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	741647043	UNYMUCCPLUVIPS-UHFFFAOYSA-N	418.852	5.090	30	20	HKED	
Cc1ccc([C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	744034446	CJOHPZWBTDMUOB-FZMZJTMJSA-N	405.306	5.998	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2cccc(Cl)c2)n1	744100090	MNZMOHWHAVGDAN-UHFFFAOYSA-N	405.262	5.216	30	20	HKED	
COc1cccc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)c2cc(F)ccc2OC)c1	747099741	JZTYNBVAZOOBIY-NSYGIPOTSA-N	420.484	5.013	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H]1CCCc2nc(C)ncc21)c1ccc(C(F)(F)F)cc1	749868952	CYLQXZMBTQEHOT-QUCCMNQESA-N	418.463	5.188	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	750591322	XZWQCBUMTZRJOB-HNNXBMFYSA-N	414.402	5.766	30	20	HKED	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	752279388	JZNJOIXYBVGGOJ-JXFKEZNVSA-N	422.575	5.154	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(F)cc1F)c1nc(-c2c(F)cccc2F)cs1	752486694	BWEGOMXPNBNRDY-ZDUSSCGKSA-N	404.388	5.176	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C(C)C	753602254	UDAQSYCXIGBZTJ-UHFFFAOYSA-N	405.523	5.179	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(F)c2)C2CCCC2)c1	757207728	FDNFJROPTVKRDI-JOCHJYFZSA-N	409.505	5.161	30	20	HKED	
C=CCn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nnc1-c1ccccn1	760313764	AIHZDTXHAXMFGF-UHFFFAOYSA-N	423.542	5.165	30	20	HKED	
CC[C@H](OC1CCCCC1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	761108970	QTCGZXBILGXIIB-KSSFIOAISA-N	404.482	5.392	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)cc1	761620162	URFRCDLFDQUSHJ-LEWJYISDSA-N	403.507	5.009	30	20	HKED	
CC(C)Sc1c(Cl)cccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	761875185	SYSNLUMGNJTFMQ-IBGZPJMESA-N	415.946	5.318	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1cccc(C#N)c1	767335972	KJWOIQJOFLRWQL-UHFFFAOYSA-N	403.795	5.171	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(CC)cc2)c1	772647209	WKDUFWHEOSCKCU-HSZRJFAPSA-N	412.489	5.276	30	20	HKED	
CC12CC3(C)CC(C)(C1)CC(C(=O)OCc1nnc(-c4cccc(C#N)c4)o1)(C2)C3	772802912	AVFVUQQGAOILIM-UHFFFAOYSA-N	405.498	5.038	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	773799703	YQGHRNMUVKGZBT-CRAIPNDOSA-N	403.482	5.531	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccccc1	777289875	BLIUWNVNNHUTOX-WMZOPIPTSA-N	421.522	5.129	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1csc(Cc2cccc(F)c2)n1	779744263	UXIARRQEQNLNJL-UHFFFAOYSA-N	416.861	5.016	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1NC(=O)Nc1ccccc1	780148715	MKKHJFWGFGQPQY-KRWDZBQOSA-N	414.465	5.182	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1	780161683	UHNNAWGAXOJPGR-AOMKIAJQSA-N	422.937	6.103	30	20	HKED	
N#Cc1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1	781450330	HDJPCTMQBRWTLY-HNNXBMFYSA-N	411.408	5.095	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccnc(Cl)c2)cs1	782183766	DIUJYVRNCYNNHJ-QPJJXVBHSA-N	418.305	5.426	30	20	HKED	
CCc1cnc(/C=C\C(=O)c2sc(/C=C/c3ncc(CC)s3)nc2C)s1	783705154	HVGKJHJKJXUPLT-NMMTYZSQSA-N	401.582	5.556	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3ccc(Cl)cc3C2=O)cs1	783714911	OUIUXLFEMQCIMQ-OQLLNIDSSA-N	424.909	5.448	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1c(F)cccc1Cl	807972333	BRZPOEXVCPVBDS-UHFFFAOYSA-N	409.774	5.186	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1C(F)(F)F	813027219	VBDDDSALZQFGBF-UHFFFAOYSA-N	404.131	5.044	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1csc(-c2cccs2)n1	813213668	KQIXMVLHDFUQON-GFCCVEGCSA-N	421.469	5.439	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1	814577787	RPZHGGBOLNRKII-RPBOFIJWSA-N	407.517	6.101	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1	916051490	PFKVUNZNLDBPQU-AREMUKBSSA-N	419.484	5.568	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)nc2ccccc21	916843385	FAEUJERGMOYQGJ-PIZKADEWSA-N	403.791	5.135	30	20	HKED	
CCCC1(Cn2c(CCOc3ccccc3)nnc2N2CCC(C)(C#N)CC2)CCC1	1546935169	RQASRYGZVCLWTI-UHFFFAOYSA-N	421.589	5.000	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CSC3CCCC3)cc2)CCC1	1786349549	ANEHVQUMMYUQNZ-QGZVFWFLSA-N	400.588	5.009	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC(C)(C)C2)CC1	1831929497	YXMYQWHANIJKTM-OAQYLSRUSA-N	402.623	5.035	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)COc3ccccc3-c3ccccc3)n2)cc1	14497767	VFCXWRVPLOXCDX-UHFFFAOYSA-N	411.486	5.366	30	20	HKED	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(CC#N)cc2)cc1	15030159	BKLIMXNBSIRYID-UHFFFAOYSA-N	410.452	5.305	30	20	HKED	
Cc1ccc(CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Cl	46879847	SIIMIJOEQCYULG-UHFFFAOYSA-N	405.885	5.587	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	51677881	JQTDIJLBGSELCQ-NSHDSACASA-N	409.458	5.523	30	20	HKED	
C[C@H]1CCCCN1CCCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	63758098	DBHHBLSZQBWQDS-FQEVSTJZSA-N	421.610	5.235	30	20	HKED	
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccccc2Cl)c1	97637666	IBWDSYJUIUBHHA-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
N#Cc1ccc(CCC(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1	247644519	JHTIPNDCANSEKS-UHFFFAOYSA-N	411.530	5.376	30	20	HKED	
COc1ccccc1[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1Cl	303904754	QKCOBTKLYCYQIB-XMMPIXPASA-N	404.897	5.059	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	303939125	YMHVTURMXMXLOU-LSDHHAIUSA-N	406.473	5.917	30	20	HKED	
CCCN(C(=O)c1cccs1)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1	432052070	XIAGRBHYAHRCCT-UHFFFAOYSA-N	421.488	5.160	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1	432756733	ZWWXRRAUKVRFLY-HSZRJFAPSA-N	410.477	5.907	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(COCc2ccccc2)cc1)c1ccccc1	432956937	BMHRPWCDPBOSKT-VWLOTQADSA-N	413.521	5.960	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1F	437486794	QXXLOCKHNPLBHN-UHFFFAOYSA-N	416.368	5.131	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)c[nH]c2c1	438644112	VWNJPWIVYMYUMY-UHFFFAOYSA-N	424.426	5.688	30	20	HKED	
C=CCn1c(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccco1	438888533	VLWHQXKUNYTZDY-HNNXBMFYSA-N	424.309	5.037	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnnn1-c1ccccc1	439559070	AWAISLJJUBDBBB-OAHLLOKOSA-N	416.872	5.153	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1NC(=O)c1ccccc1F	439676516	XBTFAJDOGFLESS-QFIPXVFZSA-N	415.468	5.161	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	440331116	ZOBIYSQSTISXIA-RXVVDRJESA-N	421.566	5.082	30	20	HKED	
N#Cc1ccc(NC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)cc1C#N	443897853	HUNPZXJZWAEJIR-UHFFFAOYSA-N	408.244	5.781	30	20	HKED	
Cc1ccc(-c2nsc(NC(=O)c3cn(CCCC#N)c4ccccc34)n2)s1	444173269	CKHUETGYKLBRDA-UHFFFAOYSA-N	407.524	5.086	30	20	HKED	
C=CCN(C(=O)CCCc1csc2ccccc12)c1nc(C(=O)OCC)cs1	445914018	XMJXMHVKTWZUNC-UHFFFAOYSA-N	414.552	5.076	30	20	HKED	
CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)[C@H](C)c1cccc(C#N)c1	462079998	JDFICZFTPLLHIQ-CYBMUJFWSA-N	423.314	5.015	30	20	HKED	
Cc1ccc(-c2csc3nc(SCCCSCC#N)n(C)c(=O)c23)cc1C	466614045	NLQAHDNZQRCHNN-UHFFFAOYSA-N	415.609	5.018	30	20	HKED	
COc1cc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1SC	469338152	XERHTPWLELMPLY-INIZCTEOSA-N	409.555	5.173	30	20	HKED	
C[C@@H](O)C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	469691301	DERLMKZJLOTEDN-NQIIRXRSSA-N	415.493	5.027	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)o1	471143171	JQFPODCEMNWNDO-UHFFFAOYSA-N	407.857	5.210	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	475582020	LUBCSOKSRJKUKR-FQEVSTJZSA-N	424.520	5.106	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)C[C@@H](CC#N)c2ccccc2)cc1	475898241	HSZAKRVUKZVKAJ-SQHAQQRYSA-N	411.549	5.669	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)N1CCSc2ccccc21	476093554	WXNCMPVNJMUWRP-UHFFFAOYSA-N	408.567	5.396	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1	476134803	FNZMZCRIBWTQDJ-UHFFFAOYSA-N	411.395	5.994	30	20	HKED	
C=CCCCN(C)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	477090472	PFBYLPFQODXQGJ-UKHBAXEESA-N	411.430	5.533	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)c1	477408227	RAGJHOOJCYZMLX-UHFFFAOYSA-N	411.505	5.376	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccccc1	481972357	WCUOVMAFPLZZLT-LJQANCHMSA-N	413.403	5.058	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCC[C@@H](C)C1	488096404	FMTOLMLWQDKPCM-QRVBRYPASA-N	415.603	5.084	30	20	HKED	
N#CCSCCCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1	489781419	IMTDYXXHLOSABO-UHFFFAOYSA-N	400.960	5.327	30	20	HKED	
FC(F)Oc1ccccc1[C@H](NCc1nc2ccccc2n1C(F)F)C(F)(F)F	491272654	USVOHBWUSZOSDL-HNNXBMFYSA-N	421.316	5.426	30	20	HKED	
COc1ccccc1-c1ncc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1	491307117	FQMHZMZLWWYPNH-IBGZPJMESA-N	420.516	5.542	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1	493965160	MRARPUUXNWNELN-DHIUTWEWSA-N	416.908	5.727	30	20	HKED	
CCCc1nc(C)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1	494803509	FZKZUESPNNNIBQ-UHFFFAOYSA-N	424.888	5.575	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1c(Cl)cccc1Cl	499810056	SHXRZVMGGXONEM-HSMVNMDESA-N	413.226	5.497	30	20	HKED	
N#CCCn1cc(CNCC2(c3ccc(F)cc3)CCCC2)c(-c2ccccc2)n1	500271513	XPYXVMNSCPSJLG-UHFFFAOYSA-N	402.517	5.204	30	20	HKED	
CCOc1ccc([C@H](NC(=O)NCC(C)(C)CCC#N)c2cccc(Cl)c2)cc1	500605911	TZCQNBFBAGYJLC-NRFANRHFSA-N	413.949	5.457	30	20	HKED	
COc1cccc(C2=CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)c1	501635756	CRJQFSGFPPUVSD-UHFFFAOYSA-N	414.436	5.038	30	20	HKED	
COc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c(OC)c1	502496834	VUKSBSQACDVUIZ-UHFFFAOYSA-N	419.437	5.020	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)cc1	503337019	LATJZDUFVQDPPQ-RPBOFIJWSA-N	410.517	5.396	30	20	HKED	
CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(C#N)s1	506808333	YGOMMSRQPZPXSI-UHFFFAOYSA-N	415.868	5.141	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cc3ccccc3[nH]2)cc1	508277850	IRWBPZNKZNAPMD-UHFFFAOYSA-N	412.449	5.162	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cc1c(F)cccc1C#N	510667013	VHCQYLQYSSTJPC-LBPRGKRZSA-N	413.905	5.203	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc3c(Cl)cccc3n2CC(F)(F)F)c1	511555428	CBURQZSKWBRUSZ-UHFFFAOYSA-N	424.835	5.120	30	20	HKED	
Cc1cccc([C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C(F)(F)F)c1	511823446	GWZUJLMGCOVRKD-FQEVSTJZSA-N	411.383	5.087	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H](C)c2c(C)noc2C)cc1	513822539	DTGWLGPENWOFQN-CQSZACIVSA-N	405.454	5.096	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C	515125795	PRSNAJNNJAHBQG-UHFFFAOYSA-N	414.552	5.026	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)Cc1cnc2ccccc2n1	515664659	YGCNVXWVUZMUMS-SFHVURJKSA-N	422.488	5.420	30	20	HKED	
COc1cc(CNc2cccc(OCc3cccc(C#N)c3)c2)ccc1OC(F)F	515665435	JNOQVKNSAWDILP-UHFFFAOYSA-N	410.420	5.359	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1	515690452	VYCZEDTXYZHVGM-UHFFFAOYSA-N	414.505	5.099	30	20	HKED	
N#Cc1cc(NC(=O)c2cnc(-c3ccccc3F)s2)ccc1OCC(F)(F)F	517874716	ALXFPJPWUYONQD-UHFFFAOYSA-N	421.375	5.014	30	20	HKED	
C[C@@H](NC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccc(C#N)cc1	517977303	WJWGEYYQIHWPEH-IAGOWNOFSA-N	403.457	5.611	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1	520596464	LVYRZSGUSCJRBO-UHFFFAOYSA-N	420.557	5.326	30	20	HKED	
CCOc1ccc(CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)cc1	520856785	RBZBFBULRCVFAQ-GOSISDBHSA-N	411.571	5.780	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2cccc(Br)c2)CC1	521735049	WQLSGENESLZVOR-CQSZACIVSA-N	415.356	5.371	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)on1	521800831	RELNGEQLVDQVQO-LLVKDONJSA-N	403.916	5.703	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)c2)cc1	523122745	SQVSUAIOOHUBDE-UHFFFAOYSA-N	406.445	5.741	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cccc3cccnc23)c1	523948952	DWVMFNLZFDYUOA-UHFFFAOYSA-N	413.864	5.482	30	20	HKED	
C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524442015	MGFKHPHXKIYQBA-MRXNPFEDSA-N	420.900	5.411	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CSc2ccc(C#N)cc2Cl)cs1	533628748	YDMSCWVTHIVUCN-UHFFFAOYSA-N	413.955	5.954	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1Cl	534157862	MEZKYNBDNZZYFW-UHFFFAOYSA-N	417.852	5.141	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CC1	541969971	CQXZDLHTQXVBEA-UHFFFAOYSA-N	404.392	5.050	30	20	HKED	
N#CCc1ccnc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c1	545931703	YFFPBTOLDSEHBX-UHFFFAOYSA-N	424.869	5.113	30	20	HKED	
C[C@@]12CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C[C@@H]1C2(F)F	552964777	VVLOGFDOFYFBEM-AZUAARDMSA-N	402.828	5.121	30	20	HKED	
C=CCC[C@@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1	558723423	DOYJJNLYHPWFDF-PGRDOPGGSA-N	416.487	5.465	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)N1CCCCO1	564474052	XBWUSFSCAKKXME-LLVKDONJSA-N	424.263	5.065	30	20	HKED	
Cc1cccnc1C(C)(C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	581517957	FPHZIKRVNARGSK-UHFFFAOYSA-N	400.482	5.153	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Cc1cncc2ccccc12	583586100	CUWTXZMBMVFORL-GOSISDBHSA-N	422.488	5.420	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](c2ccco2)C1	589365285	DYLXWKPRFCXVMD-HRAATJIYSA-N	402.454	5.344	30	20	HKED	
C[C@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1)c1cccc(C#N)c1	590034768	QAWZXPNZTUGZLI-ZDUSSCGKSA-N	411.477	5.115	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc2cc(F)ccc2s1	592974233	PSGUFSSVKRACCR-GOSISDBHSA-N	415.449	5.178	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCCc1nnc(-c2ccccc2)o1	604241173	XVPYEIGTKIDPCL-UHFFFAOYSA-N	422.488	5.164	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1	607403612	RMUWWKOBWQXAAQ-UHFFFAOYSA-N	424.541	5.029	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)c2)cc1	608890317	PSAFQCCOHSVYSS-UHFFFAOYSA-N	415.880	5.719	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)Cc1ccsc1	609079331	WVPWKHKCRXTXOS-KRWDZBQOSA-N	405.523	5.260	30	20	HKED	
Cc1ccc(Cn2nccc2NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	609345801	CXMATBUGLQKHMU-UHFFFAOYSA-N	424.529	5.515	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCOc1ccccc1	609378484	NZYNCBBVAZAYGN-UHFFFAOYSA-N	408.445	5.509	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	609402866	FZLPJARUXVMAGK-CABCVRRESA-N	410.568	5.773	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1	609436023	FFRUZBRRQLILBR-AWEZNQCLSA-N	424.957	5.806	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	609643956	BKTVGFWODHCSDM-UHFFFAOYSA-N	413.502	5.395	30	20	HKED	
COC(=O)c1ccc(F)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	609723107	YEJMCRDZUBQREP-UHFFFAOYSA-N	424.815	5.182	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc2ccccc21	610313476	BMXGRVWKDSNVBF-UHFFFAOYSA-N	410.408	5.220	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(C#N)c1	610321661	QPVDXPSIYXDEDB-SFHVURJKSA-N	410.477	5.086	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1	610599165	WDVOLJUXQBVQQT-ZWKOTPCHSA-N	407.564	5.021	30	20	HKED	
CC(C)c1ccccc1-n1c(SCc2ccnc(C#N)c2)nnc1-c1cccnc1	610957026	LFDGSVSUBKGGGB-UHFFFAOYSA-N	412.522	5.012	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Br)cc1Cl)c1nc2cc(F)ccc2s1	611249155	SOIFARXBPAVENT-SNVBAGLBSA-N	424.682	5.097	30	20	HKED	
CC(C)C[C@@H](C#N)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	611250520	FSJAWURIAPEBOR-QQQXLFEASA-N	424.429	5.163	30	20	HKED	
COc1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)ccc1OCc1ccncc1	611391105	SXFYYGUPQZMHJR-MHECFPHRSA-N	413.521	5.269	30	20	HKED	
CCCc1c(NC(=O)N2CCc3ccccc3[C@H]2CC)cnn1-c1cccc(C#N)c1	615271608	ORRHPRUJXQMPNV-HSZRJFAPSA-N	413.525	5.238	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3c(Cl)ccc(Cl)c3Cl)ccc21	615728687	QQGYVHBUFAULLU-UHFFFAOYSA-N	422.743	5.842	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)o2)cc1	639391027	SYVWRSZJYQKCNM-UHFFFAOYSA-N	413.458	5.397	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157693	MKBBYNCQGVMRAO-PJXYFTJBSA-N	415.349	5.009	30	20	HKED	
Fc1ccc([C@H](NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccccn2)cc1	680336540	IQUJSZOGJARIPW-DEYYWGMASA-N	420.372	5.809	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)CCCCC2=O)c1nc(-c2ccc(Cl)cc2)cs1	685784675	XZMUOKJSXVAZDB-IBGZPJMESA-N	420.921	5.863	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(CCC)[C@@H]2CCc3ccccc32)c1=S	726588809	MWVAWRAYZQIXSX-OAQYLSRUSA-N	405.571	5.019	30	20	HKED	
CC(=NOCc1nnc(-c2c(Cl)cccc2Cl)o1)c1cc2ccccc2o1	726594724	OAQIJXDCKIHRNP-UHFFFAOYSA-N	402.237	5.730	30	20	HKED	
CC(C)c1ccc(C=NOCc2nnc(-c3ccc(Br)s3)o2)cc1	727483369	HRJXYUAVWLXDQW-UHFFFAOYSA-N	406.305	5.235	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728299454	RTVRIBFNLCXWLJ-GOSISDBHSA-N	417.484	5.332	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4cccc(C)c34)n2)cc1	729081912	MDZQPPMQCXKOTB-GOSISDBHSA-N	401.491	5.027	30	20	HKED	
CCCC[C@@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)Nc1cc(C)on1	732916584	UZQNLPMCCRRVEO-FGZHOGPDSA-N	402.498	5.248	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1cccc(OCC(=O)O)c1	733206283	FVBSIDUVIOCMFM-YHYXMXQVSA-N	413.882	5.131	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OC	733231116	YEHAMNWGMZIEPP-QFIPXVFZSA-N	420.553	5.203	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2ncnc3sc4c(c23)CC[C@H](C)C4)ccc1OC	733301824	DSXOQORYOYFLMA-HOCLYGCPSA-N	422.554	5.118	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	733842472	WNWYLSQAAJSICU-AWEZNQCLSA-N	411.811	5.361	30	20	HKED	
Cc1ccc(-c2ncc(/C=C/C(=O)c3ccc(OCCCC(=O)O)cc3)s2)cc1	734306123	LHJNONJRNUFXEK-OUKQBFOZSA-N	407.491	5.258	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(Oc3ccccn3)c2)c(C)n1-c1ccc(C#N)cc1	742963921	WUDJSVCLUNTYQV-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)N[C@@H]2CCOc3ccccc32)cc1F	743036153	LCHYHVKINSPZDF-LJQANCHMSA-N	419.481	5.300	30	20	HKED	
C[C@H]1/C(=C\c2ccc(Oc3cnccn3)cc2)C(=O)c2cccc(Br)c21	743055655	IDWNBSASENNPHL-HNEYUBDGSA-N	407.267	5.415	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)s2)c(C)c1	747112083	OTKKACCFNBIRNA-QGZVFWFLSA-N	409.898	5.042	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)ccc1OCC(F)(F)F	750909747	NSBDLNJKWZTIAL-CLFYSBASSA-N	410.436	5.317	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1cc2ccccc2o1)[n+]1ccc(C(CC)CC)cc1	759063896	RDJRNYBUMHRZTK-UHFFFAOYSA-O	405.543	5.058	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccncc2)cc1F)c1ccc(N2CCOCC2)cc1Cl	762440309	XOVJJMCXVWXLPZ-UTCJRWHESA-N	422.887	5.274	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1	765353412	KXFARIJLRXXEHR-IRXDYDNUSA-N	400.906	5.186	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1	769222439	MCDZKQKWNWTLIC-PZJWPPBQSA-N	417.459	5.642	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CC3(CCCCC3)Oc3ccccc32)ccc1OC	772978338	FHPLOVHVNBPIDJ-UNMCSNQZSA-N	420.553	5.692	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ncc(C2(O)CCCCC2)s1	773196203	MMEXOPDWKJVYBT-UHFFFAOYSA-N	403.507	5.086	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2)nc1C	780306055	SFLLKANTWXRESA-QFIPXVFZSA-N	411.505	5.143	30	20	HKED	
COc1cc2c(cc1NC(=O)COc1ccc(C#N)c(Cl)c1)oc1ccccc12	783985475	CONLNCXRTXCSKZ-UHFFFAOYSA-N	406.825	5.137	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1	787034582	ALRUNULONYJNDX-MJGOQNOKSA-N	406.869	5.190	30	20	HKED	
C=CC[C@]1(C(=O)Nc2cnn([C@H](C)CC)c2C2CC2)CCCN1C(=O)OC(C)(C)C	790835587	JTRGNSLHPYZZJE-WAIKUNEKSA-N	416.566	5.016	30	20	HKED	
O=C(O[C@H](Cc1ccc(F)cc1)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl	791003979	KFGFRIYAAHDWAI-GFCCVEGCSA-N	415.692	5.223	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1	791829106	VDOWESQWDRURQF-UHFFFAOYSA-N	409.530	5.322	30	20	HKED	
N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nccc2ccccc12	792093573	KAFKDFYLDKBMEN-CYBMUJFWSA-N	405.668	5.450	30	20	HKED	
N#CC1(CCCOC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CCOCC1	800160902	ATLZEMTVGOPHCF-UHFFFAOYSA-N	413.901	5.176	30	20	HKED	
N#CC[C@H](CC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccccc1	809128130	OIJQOJARWKDWGN-QAPCUYQASA-N	415.333	5.940	30	20	HKED	
N#CCCC[C@@H](NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1	817319133	KPJXNWISQWFIIR-YWXUCKCNSA-N	406.835	5.837	30	20	HKED	
N#C[C@@H](CCc1ccccc1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	904508218	RYGBVXQWRHOGMO-QGZVFWFLSA-N	400.413	5.303	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N	916084673	SZJJHTXBSHPXSA-UHFFFAOYSA-N	424.460	5.063	30	20	HKED	
CC[C@@H](C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)S2)cc1	916232713	OARUEPOAGNYNCN-FZKQIMNGSA-N	415.946	5.101	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	916905083	MFJDBJAJQZNEEQ-LJQANCHMSA-N	418.880	5.412	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)cc1	916913731	RLELBQUEIZMFNS-MHECFPHRSA-N	413.521	5.238	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(OCc2ccccc2)cc1	916919748	ZQAMUXFVCFMRLG-DEOSSOPVSA-N	420.468	5.380	30	20	HKED	
CC(C)c1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1	916937723	GQZAINALDKHIKZ-MRXNPFEDSA-N	404.894	5.042	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996072	JVSKOKWFMAPMFX-KXQLTZBTSA-N	405.331	6.068	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@H]2c2ccc(Br)cc2)c1=S	917486975	NTBZIMLSBWRCKS-KRWDZBQOSA-N	419.392	5.035	30	20	HKED	
N#C[C@H]1C(CN(Cc2ccc3ccccc3c2)C2CC2)=CC(=O)n2c1nc1ccccc12	920088706	HXPNUWYKWLYSES-QHCPKHFHSA-N	418.500	5.041	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)c3sc(N4CCCC4)nc3Cl)cc2)cc1	920753461	ISLUTLRJOOMVDR-UHFFFAOYSA-N	409.898	5.155	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3sccc3OC)cc2)CCC1	1789932784	DDGZCFPLDKFEHL-IBGZPJMESA-N	424.566	5.273	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4n3C)CCC2)cc1	1791248249	XKUXUAFDRQVVOX-GOSISDBHSA-N	415.537	5.138	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CCC2)cc1	1792263888	GMTLMLFEYMJEHA-WTIAFYNJSA-N	406.570	5.140	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)C)s1	1797150822	NJVBRZNFTDJBJM-REPLKXPHSA-N	414.615	5.066	30	20	HKED	
CCC[C@@H](NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1	10399243	HVYSZVAFNXXLNX-KBXCAEBGSA-N	421.488	5.419	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(O)c2)c(C)s1	10831477	AXSJRRHECYELJD-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
Cc1sc(NC(=O)CCc2ccc(C#N)cc2)nc1-c1ccc(OC(F)F)cc1	10957494	OXPORAOPAWVHRM-UHFFFAOYSA-N	413.449	5.163	30	20	HKED	
C=CCn1c(S[C@@H]2CCCCCC2=O)nc2scc(-c3ccccc3)c2c1=O	29381702	PVUIXCJXMDICKI-GOSISDBHSA-N	410.564	5.305	30	20	HKED	
N#CCN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1	36822251	LRLOKRASNSXGKI-UHFFFAOYSA-N	416.531	5.007	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl	55385956	IMDHRIGHYVPCJO-GOSISDBHSA-N	409.804	5.295	30	20	HKED	
C[C@@H](NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(C#N)cc1	60977743	BHUKXVDYUCADOZ-WZONZLPQSA-N	408.505	5.232	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1	108370034	KUAQPFBAXQQSHQ-VXKWHMMOSA-N	416.908	5.727	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1	111020784	NXAZIBGTTZUDIP-UHFFFAOYSA-N	423.513	5.141	30	20	HKED	
N#Cc1csc(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)c1	237707743	VOAGKEKLFBXREZ-LJQANCHMSA-N	401.304	5.401	30	20	HKED	
C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cccc(Cl)c1	302973577	OMMXJCSLYBSBNH-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Nc3ccccc3C(F)(F)F)c2)c1	303014466	LAFUKUWZNWEZQU-UHFFFAOYSA-N	411.383	5.800	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1cc(Br)cs1	303272717	HXUIEVBSOPZVIK-GFCCVEGCSA-N	409.374	5.334	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCSc4ccccc43)cc2)c1	303320873	HQXGJEDADULOCX-OAQYLSRUSA-N	401.491	5.709	30	20	HKED	
O=C(Nc1ccc(F)cn1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	409470325	PVDXCMDSSWQKSN-KWEADSPHSA-N	424.360	5.282	30	20	HKED	
C=CCCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)n1CC	410350185	IMICGAZYQDCQBP-UHFFFAOYSA-N	406.555	5.123	30	20	HKED	
COc1ccc(-n2c(S[C@H]3CC[C@H](C#N)C3)nnc2-c2ccccc2Cl)cc1	430099310	DYVOEHIUUIZIQM-YOEHRIQHSA-N	410.930	5.381	30	20	HKED	
Cc1ccc(Oc2ccccc2NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1	433028731	PSDPDNNQCXOKMF-QHCPKHFHSA-N	413.521	5.751	30	20	HKED	
CCCCn1ccnc1-c1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	433265189	HKMLICFFENEWPD-HSZRJFAPSA-N	415.541	5.907	30	20	HKED	
N#CCCn1cc(CNCC2(Cc3ccccc3)CCCCC2)c(-c2ccncc2)n1	433317997	KJBGYQPLFPUKBK-UHFFFAOYSA-N	413.569	5.142	30	20	HKED	
Cn1cnc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c21	439253262	BPLGFXWHCFNEOK-IBGZPJMESA-N	400.869	5.134	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(F)(c2cccc(OC)c2)CC1	439378142	IOBZQPMVQCOJCY-UHFFFAOYSA-N	410.533	6.040	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CCC#N)c2ccccc2)c1	439664549	VJJQTKUZCYWKOK-HXUWFJFHSA-N	411.933	5.490	30	20	HKED	
Cc1nc(SCC(=O)Nc2cccc(CCC(F)(F)F)c2)c(C#N)c(C)c1C	440708864	AHTGQPHZMAZJDA-UHFFFAOYSA-N	407.461	5.104	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1C	442511849	IQGQLBDFNIPQLZ-LBPRGKRZSA-N	418.341	5.136	30	20	HKED	
CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C	443527781	JNOUBYQTTHFZNZ-QGZVFWFLSA-N	409.898	5.220	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)c2ccccc21	444035323	JLSSBWQFZNFTOG-UHFFFAOYSA-N	400.507	5.245	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)o2)cc1	445999728	XTKZGWRKCYKOSQ-OALUTQOASA-N	412.415	5.053	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2Sc2ccccc2)CC1	460710282	AQORPGFWLNEKKJ-UHFFFAOYSA-N	413.546	5.062	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(OC)CC1	460793229	NGELBYPKKARTPJ-HYBUGGRVSA-N	412.578	5.006	30	20	HKED	
O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(F)cc1C(F)(F)F	461222086	OLFSPGGZTBJVJT-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
C[C@H](c1cccc(C#N)c1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	461799318	YGXOVXAXUFYFAH-QGZVFWFLSA-N	405.461	5.158	30	20	HKED	
N#CCCn1ncc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1-c1ccccc1	463286069	KKQXUSMXAZWTQZ-LJQANCHMSA-N	422.941	5.084	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)o2)cc1C	467404649	CFBANYRKPRQRNQ-LJQANCHMSA-N	424.504	5.977	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1NC(=O)c1ccccc1	474436424	WZXJFRWJPCWYFG-SFHVURJKSA-N	403.507	5.317	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	475525396	JSIOVFAXLPQUJR-WMZHIEFXSA-N	416.500	5.357	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1	475580785	LNQSGTVCDMXNBF-HXUWFJFHSA-N	422.569	5.584	30	20	HKED	
CCc1nc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1	479165060	MTKPSLAJUSVFDZ-INIZCTEOSA-N	422.529	5.189	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)no2)nnc1-c1cccc(OC)c1	481340787	CLZDEIIRLYOODE-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(C)cc1	481369123	HFPORMUDKZWLFV-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1cccc(OC)c1	481391902	RKWUTJRESYDBEG-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C=CCn1c(SCc2ccc(SC)c(OC)c2)nnc1-c1cccc(OC)c1	481406118	VZBQPYRRVHCYON-UHFFFAOYSA-N	413.568	5.163	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[C@@H]1C(F)(F)F	482059218	FPQHWMYLYORIDK-FQEVSTJZSA-N	416.443	5.188	30	20	HKED	
C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1cccc(OCCCC#N)c1	482979645	CAXJAKCKOCXFJC-GOSISDBHSA-N	415.493	5.166	30	20	HKED	
O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	486440994	DHLHZASSSGZOKN-HOTGVXAUSA-N	422.344	5.465	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)cc1	487215034	AAPFZYNGDIHICE-UHFFFAOYSA-N	400.331	5.761	30	20	HKED	
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1	489410276	QXGQZOCLOQRQIP-CAPFRKAQSA-N	423.516	5.106	30	20	HKED	
CCSc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	490723055	YSZASSHYXJHLCY-AWEZNQCLSA-N	400.475	5.690	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F	490769112	MFEOUZNNCRTTHB-LJQANCHMSA-N	405.395	5.308	30	20	HKED	
COc1ccc([C@@H](NCc2cccc(C#N)c2F)c2ccc(C(F)(F)F)cc2)cc1	492517958	ZDSCEIHAIOUKGL-QFIPXVFZSA-N	414.402	5.604	30	20	HKED	
C=CCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1	499737317	BDSWZAYGLIUTTH-UHFFFAOYSA-N	417.490	5.332	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OC[C@H]3CCCO3)n2)cc1	509535850	GSMSRLIUZLMVTQ-QUCCMNQESA-N	418.518	5.166	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1CCCN(C2CCC2)C1	511284449	DFRIELOYVOPAGX-AZUAARDMSA-N	419.594	5.092	30	20	HKED	
CN(Cc1c(F)cccc1Cl)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	514503944	WLFIPQJRPBKEKD-UHFFFAOYSA-N	414.893	5.062	30	20	HKED	
COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1OC(F)F	515448225	WXOAJWZDNLWCKZ-UHFFFAOYSA-N	406.454	5.141	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl	517518671	RAHXJCVIUWJYBD-LLVKDONJSA-N	401.340	5.188	30	20	HKED	
CCCc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1	518320201	ACIAJBXZBLLWOQ-IBGZPJMESA-N	402.416	5.002	30	20	HKED	
COCCN(C(=O)Nc1ccc(CC#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	520172046	QDAUNQUNKKOZDQ-HNNXBMFYSA-N	405.420	5.013	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4F)n3)n2)cc1	520432692	KVYOHCABBOFVLT-INIZCTEOSA-N	419.506	5.871	30	20	HKED	
C=CCOc1ccc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1Cl	520944588	BQSOATYTIYSLHQ-UHFFFAOYSA-N	424.903	5.586	30	20	HKED	
Cc1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)oc2c1ccc1ccccc12	521511629	VHIKTRSVULLGEQ-UHFFFAOYSA-N	410.473	5.450	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H]1c1ccc(Cl)cc1	523585652	UCYGJRJWIHWFRH-QHCPKHFHSA-N	401.897	5.504	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	524279211	YYXFPYGJBAVVHJ-GFCCVEGCSA-N	417.412	5.107	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Nc4ccccc4)c3)n2)cc1	525447132	RHUCVILWCZBKOJ-QFIPXVFZSA-N	420.497	5.915	30	20	HKED	
CC(C)(C)C1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	530356991	ZKHZURZSKRVQKK-UHFFFAOYSA-N	405.542	5.622	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(-c2ccccn2)ccc1Cl	534357106	LIMHIYAXOBMRHA-UHFFFAOYSA-N	414.814	5.202	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1COc2ccccc21	535102350	WXJYDNXSIYEXRG-OXQOHEQNSA-N	400.503	5.004	30	20	HKED	
C[C@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	540048493	XJSBHCMFNLINAD-VIFPVBQESA-N	419.255	6.003	30	20	HKED	
Cn1nc(C2CCCC2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	541022278	XQJVIWYLENVYRR-UHFFFAOYSA-N	416.550	5.494	30	20	HKED	
CS[C@@H](C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	541226972	FVLLDOMUVIXREV-QUBYGPBYSA-N	413.305	5.195	30	20	HKED	
Fc1ccc(-c2nc(CN[C@@H](c3cccc(F)c3F)C(F)(F)F)co2)cc1F	541332351	QCSUGRGJBBGLPO-INIZCTEOSA-N	404.285	5.291	30	20	HKED	
CCOC(=O)c1c(NC(=O)N2CCC(CC#N)CC2)sc(-c2ccccc2)c1C	541971322	GVNOVLMLXBOFBR-UHFFFAOYSA-N	411.527	5.058	30	20	HKED	
N#C[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)c(Cl)c1	542501857	BAZJQGGQJKGSLO-MRXNPFEDSA-N	420.296	5.180	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1	544148569	JZJHEYDVRFUHJL-CYBMUJFWSA-N	413.380	5.460	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3coc(C4CCCCC4)n3)c2)c1	548259060	DTTWEHCIASWJBA-UHFFFAOYSA-N	414.465	5.099	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@H](CCCC#N)c2ccccc2)CCC3)cc1	551208587	OBOUQIDXESFGQT-YADHBBJMSA-N	417.578	6.221	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccc(F)c1	554931475	DCZCNBSELDOSLD-ZRBLBEILSA-N	418.516	5.190	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1)c1nc(-c2ccc(Cl)cc2)cs1	558457697	UVLDHLQQQFQAOA-INIZCTEOSA-N	422.872	5.278	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(c3nccc(C#N)c3Cl)C2)n1	561326342	UHZBSRZPQCCPBU-OAHLLOKOSA-N	410.930	5.123	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc(CC(=O)Nc2ccc([C@H](C)CC)cc2)no1	570127495	PSUNATXGJLVOEA-MRXNPFEDSA-N	421.497	5.005	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N[C@H](CCC#N)c1ccccc1	570251107	MIRBCGFLCFTVQM-MRXNPFEDSA-N	418.360	5.728	30	20	HKED	
N#Cc1cc(C(=O)Nc2cccc(Cl)c2SCC(F)F)cnc1C(F)(F)F	578148297	DOUUFSRCSBBZPB-UHFFFAOYSA-N	421.778	5.235	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1OC	582317835	LOVASOTYZVKPIW-UHFFFAOYSA-N	416.477	5.024	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C	584104737	DMMDUOWAHDCMSB-UHFFFAOYSA-N	409.578	5.497	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	588235711	KSSFGBWWDNEBEU-OAQYLSRUSA-N	416.481	5.369	30	20	HKED	
CC(C)(C(=O)Nc1ccccc1COCc1ccccc1)c1cc(F)cc(C#N)c1	588882323	UFAOGLVWCUJHSZ-UHFFFAOYSA-N	402.469	5.330	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1	590335818	FHTOZRRAYYGGES-JTQLQIEISA-N	424.316	5.668	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc2cc(F)ccc2s1	592973264	BOYWLADRFYNUAK-CQSZACIVSA-N	406.463	5.546	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc2cc(F)ccc2s1	592974783	ZHMGJSJCOCEVJN-GFCCVEGCSA-N	415.243	5.434	30	20	HKED	
CN(C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1cccc(C#N)c1	604463943	ZQSLBPZUIMZOEV-UHFFFAOYSA-N	416.477	6.012	30	20	HKED	
O=C(Nc1cccc(CC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608334621	AZFUFDSXBZPJKR-QWRGUYRKSA-N	422.291	5.386	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	608915767	URLQGUIXDQMTRJ-UHFFFAOYSA-N	400.320	5.380	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc1	609100421	SHOOMRIPOQSHII-NRFANRHFSA-N	418.884	5.006	30	20	HKED	
N#CCn1c(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc2ccccc21	609160656	CKXOXUNHILUUGS-UHFFFAOYSA-N	407.779	5.012	30	20	HKED	
CCOc1ccc([C@H](NC(=O)c2cc3ccccc3n2CC#N)c2ccccc2)cc1	609163917	VAHSHBYLLHLMAO-RUZDIDTESA-N	409.489	5.083	30	20	HKED	
N#CCn1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc2ccccc21	609217021	ZTLOHOJPVMGOSQ-UHFFFAOYSA-N	408.486	5.116	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	609398264	OWOIQSIQJRDFMX-KGLIPLIRSA-N	422.381	6.470	30	20	HKED	
COc1ccc(Br)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	609427633	VPLHZZMDAMVXRW-GFCCVEGCSA-N	405.317	5.104	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1	609431599	QIEHTTMWEPDLAB-LBPRGKRZSA-N	405.317	5.104	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1C	609727280	HNQKCMQZVJQFCQ-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)nc2n1CCS2	609814353	BIDFFDAWYSIMFY-UHFFFAOYSA-N	421.334	5.148	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(-c3ccncc3)cc2)c1	610089145	DATBVBZZMLGASW-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(F)cc1C#N	610577726	NVVAJVNFLTWAQC-UHFFFAOYSA-N	405.376	5.400	30	20	HKED	
CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)N1CCC(CC#N)CC1	611621590	YMYKZZLWNOYRSU-UHFFFAOYSA-N	417.556	5.119	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613319439	DURQOEDDFLOQQQ-QGZVFWFLSA-N	418.909	5.652	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@@H]1CCc2cc(C#N)ccc21	619554567	DSNCIGHXGHMPEC-GOSISDBHSA-N	412.276	5.246	30	20	HKED	
C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	674443957	FMXJAYWRHPLIDU-WQAKAFBOSA-N	421.303	5.398	30	20	HKED	
FC(F)Oc1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1	726429934	UFCLWKTWWDIEAS-UHFFFAOYSA-N	419.435	5.041	30	20	HKED	
CC(=NNc1oc(C(C)(C)C)nc1C#N)c1sc(-c2ccc(Cl)cc2)nc1C	727651141	JSKDBKRJIDGXLG-UHFFFAOYSA-N	413.934	5.765	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ccc(OCC(=O)O)cc1	727654177	ILKMPKLTSZOXLG-WCIBSUBMSA-N	413.882	5.131	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccccc1-n1cncn1	727655303	VGBIWKOJRJBCAA-DHZHZOJOSA-N	406.898	5.249	30	20	HKED	
Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728062985	YOTYERFMLFCTAN-QGZVFWFLSA-N	419.912	5.538	30	20	HKED	
C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1cccc(NC(=O)c2ccccc2)c1	729767085	UQKWZCHOSGESOR-GOSISDBHSA-N	423.472	5.335	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	729891450	IUVDLXJUCMEABA-YKMGAGOLSA-N	410.926	6.017	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCCC[C@H]2c2ccccc2OC)c1=S	729989860	ZYBWVGBOFQKIFN-SFHVURJKSA-N	410.543	5.053	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)sc21	730420390	DBFUUZZFHNYTQU-CQSZACIVSA-N	405.479	5.632	30	20	HKED	
N#C[C@H](C(=O)CCCCCc1cccs1)c1nc2cc(C(F)(F)F)ccc2s1	731546130	KDZVSBUCKCVTPE-OAHLLOKOSA-N	422.497	6.356	30	20	HKED	
CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1	731565491	QVLCHKYPHHZCJG-ONNFQVAWSA-N	417.836	5.017	30	20	HKED	
COc1cc(C(C)=NNc2ccc(Br)nc2)ccc1SC(F)F	732712608	CHQKIHIIFMRRHS-UHFFFAOYSA-N	402.264	5.004	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc([C@H]3C[C@H]3C)o2)c1	732766855	ZKJUDBCYTXAXJG-QAPCUYQASA-N	410.543	5.176	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](Cc2ccccc2)c2ccccc2)ccc1OC	733324242	XQMQKGXPCUZAMS-RPWUZVMVSA-N	400.522	5.450	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)C)c2cccs2)ccc1OC	733646471	LWDOBYKEOYWVBL-ZWKOTPCHSA-N	415.559	5.024	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccccc3)nc2)cc1	733678725	HDVLAEMDVRDLBF-JOCHJYFZSA-N	413.477	5.178	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCCCC3)cc2)c1	733851563	CXSSERMAXGBYGU-JOCHJYFZSA-N	406.530	5.070	30	20	HKED	
C[C@](O)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1	734061393	UUNDQLVQLZBRND-QHCPKHFHSA-N	421.884	5.033	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc(-c2ccncc2)cs1	734081797	RRXVYIFMGCELDU-SHBDEGQCSA-N	415.518	5.416	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)[nH]c12	735789051	JBPCWPXRHQBLMW-GPAKFWEMSA-N	403.791	5.433	30	20	HKED	
C#Cc1ccc(C(=O)Nc2c(C)cccc2-c2nc3ccc(F)cc3n2C(C)C)nc1	741969412	BFWCJVIBIZWYEV-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(CC)[C@H](CC)Cc2ccc(C)cc2)c1=S	742176970	AALWSQAKFOAQTG-JOCHJYFZSA-N	421.614	5.271	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCNc2ccc3ccccc3n2)cc1	743092757	CMFZEJCKSFLGQN-QHCPKHFHSA-N	421.504	5.124	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3sccc3-c3ccc(F)cc3)cn2)cc1	743862112	BYPISBWFEAEYBE-UHFFFAOYSA-N	415.449	5.865	30	20	HKED	
CCCCCCCCCN(C)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1	747537363	FWFFXXLHVCSSNZ-UHFFFAOYSA-N	405.608	5.090	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	749464415	WGOHOBUMKSTTHC-GFCCVEGCSA-N	415.868	5.097	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C[C@H](C)c3ccccc3C2=O)cs1	751534246	CHARSZURUSQGLS-HZGBGQKMSA-N	402.519	5.910	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(F)cc1F	752482434	HRDPEDMANMJKDW-FZKQIMNGSA-N	407.445	5.330	30	20	HKED	
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	752634694	AWFLOXQHBSXGFG-QFQXNSOFSA-N	424.548	5.080	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NOc2ccccc2C(F)(F)F)cs1	754722275	AKJOTXLIAPLVOI-UHFFFAOYSA-N	405.401	5.259	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)c(Cl)c1	754740513	IACIQWMYEWHHPW-ZDUSSCGKSA-N	416.091	5.425	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC=C(C(F)(F)F)CC2)c1=S	756911181	PQOIRZHEDXDDOB-UHFFFAOYSA-N	414.884	5.072	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1	758597678	MULYSYAFHRAUJP-QFIPXVFZSA-N	423.513	5.091	30	20	HKED	
C=C[C@H](CC(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	758913428	RSSSHSGWDXLRKL-CYBMUJFWSA-N	403.265	5.447	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1noc(-c2ccccc2)n1	761617377	DTZHAFOMQAGZBG-VGSWGCGISA-N	423.476	5.275	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@H]2c2cccc(F)c2)c1=S	765038082	LDODYYMKYJUMHC-NRFANRHFSA-N	424.545	5.031	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)nc1-c1ccccc1	769468102	AFPUDOGKWNZLIB-XXBNENTESA-N	415.537	6.093	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(F)c(Cl)cc2Cl)ccc1OC	772978032	DIBYTXORIBAMOV-TZMCWYRMSA-N	411.304	5.673	30	20	HKED	
COC(=O)[C@@H](N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccc(C#N)cc1	776034065	PBSGWTYIYIVBLE-OALUTQOASA-N	422.834	5.185	30	20	HKED	
COc1ccc([C@@H](CCC(C)C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777112735	HCEVCBAGFNFMRJ-XMMPIXPASA-N	407.558	5.117	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H](CC2CC2)c2cc(F)cc(Br)c2)cc1	778218993	XURWMXVFASZJSX-LHSJRXKWSA-N	417.322	5.510	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	780154578	VWFXJTHEOYISQE-IVZQSRNASA-N	424.472	5.728	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCCCC(C)(C)C#N	783175671	OJIOHOJTMROSRV-AWEZNQCLSA-N	406.935	5.490	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(Cc4ccccc4Cl)CC3)n2)cc1	784501127	XOMDIZGRQVJEKX-SFHVURJKSA-N	422.937	5.671	30	20	HKED	
C=C[C@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	785754477	RIOGMUDBTWZMPC-OAQYLSRUSA-N	420.962	5.743	30	20	HKED	
O=C1/C(=C\c2ncc(C(F)(F)F)s2)CCC/C1=C\c1ncc(C(F)(F)F)s1	788345550	NZPMKZTVRBIFGL-MVTUOISNSA-N	424.391	5.857	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1	792098908	FUMJSPUAYPGKET-UUOWRZLLSA-N	404.469	5.446	30	20	HKED	
N#CC[C@H](CC(=O)Oc1c(Br)cccc1Br)c1ccccc1	796610625	ZUORIUWVDTWQBV-CYBMUJFWSA-N	423.104	5.205	30	20	HKED	
C[C@@H](NC(=O)[C@H](C#N)C(=O)c1coc2cc(F)ccc12)c1ccc(Cl)cc1Cl	796892182	IXDJGNBLKVWOIG-MEBBXXQBSA-N	419.239	5.079	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	797662998	IOEOKXRCLLYCBV-SNVBAGLBSA-N	415.318	5.242	30	20	HKED	
COc1ccccc1-n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C	798394450	IXYDSQMWPGSOMX-QFIPXVFZSA-N	422.488	5.097	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cc1	804204077	ORTAMTWOPBQAGM-HJOGWXRNSA-N	407.473	5.014	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@H]1CC[C@@H](C#N)CC1	809091751	LSNKLOLHGLDSJY-HRCADAONSA-N	418.946	5.490	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1=S	915208869	IXLLYUQHTMKBGD-CMKODMSKSA-N	412.603	5.134	30	20	HKED	
O=C(/C=C/c1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1)c1ccc(F)cc1F	916127676	SVHXITOTNOBAJK-ZVSIBQGLSA-N	410.366	6.035	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(O)cc1	916134918	XNXGLEYOUOPANB-NYYWCZLTSA-N	412.272	5.847	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(F)cccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3	916847134	MJDXKXNDGOQQOD-GFCCVEGCSA-N	423.494	5.120	30	20	HKED	
CC(C)c1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916888200	TUQPZEUVKYWSKR-IBGZPJMESA-N	416.493	5.405	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccs3)n2)cc1	916951584	ZDZBNYDLFORMSF-BBRMVZONSA-N	409.536	5.346	30	20	HKED	
COc1ccc2oc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1	916975914	GLOIFWCLPJRSQC-QGZVFWFLSA-N	422.893	6.017	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(F)c(Br)c1)c1nc2cc(Cl)ccc2s1	917431162	ZMJCFPSJRNHAPD-LLVKDONJSA-N	423.694	5.270	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(-n3cnc4ccccc43)cc2)S1	917598359	FPXWJJVTWRNCSC-HMAPJEAMSA-N	424.529	5.534	30	20	HKED	
Cn1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(Cl)c1Cl	917806174	VTOJZVXIOXNAPW-UHFFFAOYSA-N	414.292	5.229	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2ccccc2o1)c1nc(-c2c(F)cccc2F)cs1	920803767	BUCOXPBZBFMWTR-LBPRGKRZSA-N	409.417	5.039	30	20	HKED	
COc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	921263450	DMZKZEXEZINDBX-BOPFTXTBSA-N	419.408	5.144	30	20	HKED	
Cc1ccc(CCn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)c(C)c1	1761770121	SBGLIWKASGMQQX-RUZDIDTESA-N	405.590	5.000	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3sccc3OC)cc2)CCC1	1789932785	DDGZCFPLDKFEHL-LJQANCHMSA-N	424.566	5.273	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CSC3CCCC3)CCC2)cc1	1791244436	SXDCMOBOAZMOEP-KRWDZBQOSA-N	400.588	5.009	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3C3CC3)CC2)C1	1804868876	UIZQXPXDQHPKKA-UHFFFAOYSA-N	422.613	5.401	30	20	HKED	
C[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2	6034690	NKDNSMKZSQLQNE-YHZJOHHESA-N	413.433	5.089	30	20	HKED	
COc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)cc1	15242481	IJQLYVBYKZOQKB-HNNXBMFYSA-N	423.929	5.132	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1	18890388	JTCAJENSELKVBD-UHFFFAOYSA-N	416.999	5.899	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cc(C)ccc2C)cc1	22729751	AVICJDNNCAFJCH-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
COc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2C#N)ccc1OC(F)F	27402619	FSVPEZVACUKRRK-UHFFFAOYSA-N	422.431	5.107	30	20	HKED	
C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47580619	WLRQQHGVGIEQDS-SFHVURJKSA-N	417.484	5.696	30	20	HKED	
C=CCc1cc(CNC(=O)NC(c2ccccc2)c2ccccc2)cc(OC)c1OC	65388809	CJBNOCINOCKQPX-UHFFFAOYSA-N	416.521	5.021	30	20	HKED	
C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1	108733295	UHTYXCUCSUQIDN-SFHVURJKSA-N	404.460	5.559	30	20	HKED	
COc1ccccc1[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	303148887	FSYXXGMYTJDHFL-HXUWFJFHSA-N	423.582	5.063	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)c1	303966114	CZRXIPYDPLRXKS-SFTDATJTSA-N	415.320	5.039	30	20	HKED	
COc1ccc([C@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(C)cc2)cc1	429829716	QENIGZXQUUFEQR-HSZRJFAPSA-N	402.519	5.139	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)s1	430612202	QRFOUVWMYZXSGE-AWEZNQCLSA-N	418.444	5.135	30	20	HKED	
C=CCn1c(SCC(=O)C2CCC(F)(F)CC2)nnc1-c1ccc(Cl)cc1	432730520	UZBUMZHRISNTKB-UHFFFAOYSA-N	411.905	5.271	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1Cl	437726824	LCWVVXBLULVXOL-MAUKXSAKSA-N	407.823	5.662	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1	437980647	USEMMLRKXQRBMV-WIOPSUGQSA-N	411.505	5.198	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H](c2ccc(F)cc2)O1	438079839	YJORLKGRCGIFHM-JXXFODFXSA-N	413.518	5.214	30	20	HKED	
CN(C(=O)c1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1)c1ccccc1	439296353	MBVGRSKTSDPGNS-QHCPKHFHSA-N	412.493	5.130	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCC3CCC(C#N)CC3)cc2Cl)cc1	440927312	KKWXQGJHXJWWTJ-UHFFFAOYSA-N	408.889	5.455	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1	442081993	SIPPGKMIRISTNY-HNNXBMFYSA-N	419.481	5.128	30	20	HKED	
Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	443902860	CYTPOINDQXSWQQ-UHFFFAOYSA-N	424.426	5.515	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C	446856465	NZELMQWPBZWFKU-FQEVSTJZSA-N	403.448	5.482	30	20	HKED	
N#Cc1ccc(/C=C(/CC(=O)O)c2nc3cc(Br)ccc3s2)c(F)c1	448112311	DBILLXKTZCKMRO-SDQBBNPISA-N	417.259	5.085	30	20	HKED	
CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1	460906961	SJAKMLYTJVLSNC-SFHVURJKSA-N	417.479	5.032	30	20	HKED	
Cc1cc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c(C(F)(F)F)o1	464723032	LDTIKRPTBRBPQC-UHFFFAOYSA-N	421.272	5.203	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](c2ccsc2)O1	470792741	KQBXIQYUJMTCDS-OPAMFIHVSA-N	419.506	5.406	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(C2CCCCC2)n1	470887150	AZLKWCSODQQCGE-UHFFFAOYSA-N	422.476	5.665	30	20	HKED	
C=CCN(C(=O)c1cc2ccc(Br)cc2[nH]1)c1nc2c(s1)CCCC2	471137348	OZVAWGGBCGSPPJ-UHFFFAOYSA-N	416.344	5.099	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)n1	474431320	HEONSQOZEXZYKN-MRXNPFEDSA-N	419.535	5.066	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OCC(F)(F)F)cc1	475552368	LSQWCFGGAVSGJZ-UHFFFAOYSA-N	406.448	5.801	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)nc2ccccc21	475910503	IZJPZLCDJJPMKA-VXKWHMMOSA-N	414.553	5.411	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](c2ccco2)C1	479969785	WBUNRUUWRZEXIO-HNAYVOBHSA-N	406.511	5.204	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1	480633429	FZTNTBABZHTMDQ-MZNJEOGPSA-N	413.477	5.584	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483202867	RPYJWERGGHQWMU-NSHDSACASA-N	410.911	5.267	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	483490528	ZZJHFTZVRZRIGT-MRXNPFEDSA-N	402.397	5.337	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1	485350540	SVSWRYPSZRWODP-UHFFFAOYSA-N	405.542	5.563	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1	485466057	OLXQLUDJBRASHC-UHFFFAOYSA-N	406.507	5.200	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](CCCC#N)c3ccccc3)c12	487602970	LLSSXPDKDDYWBH-OAQYLSRUSA-N	410.477	5.363	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccccc2Br)o1	487956695	WDFVFSGCLWUPSQ-UHFFFAOYSA-N	414.328	5.593	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2cccc(F)c2C#N)n1Cc1ccco1	488250864	PZZTWZPWKBSPLQ-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1	489070075	GPPCLCBGJVAWGK-HXUWFJFHSA-N	406.551	5.321	30	20	HKED	
Cc1cccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)(C)C)c1	494046836	HAFOAWJETOEJHO-UTKZUKDTSA-N	423.582	5.089	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c1	496672633	VBLVZMOKYNUFGJ-GOSISDBHSA-N	406.869	5.013	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl	497482252	XOWXYTOYUPLQAV-IBGZPJMESA-N	421.372	5.546	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	497573959	CAJIVWUQNLQDGF-AWEZNQCLSA-N	408.914	5.444	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)CCCOc2ccc(C#N)cc2OC)c(C)c1	499741068	FRKUTYOWODGQRU-QGZVFWFLSA-N	412.555	5.564	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3cccc(F)c3)cc2F)c1	502858636	WRSSFALRYBEXRA-UHFFFAOYSA-N	420.415	5.017	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)c1ccccn1	505306872	YBYODIRYJJGTMC-KRWDZBQOSA-N	406.470	5.397	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1F	505339725	WQYRCTJKPBJKDG-QGZVFWFLSA-N	422.287	5.112	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](C#N)c2ccccc2F)c1	505953948	KRVGYZLYUSUBCG-FQEVSTJZSA-N	405.816	5.138	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)n1	505978158	ZDJOIHJELDLDPB-KRWDZBQOSA-N	415.280	5.161	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1	509126550	VPWLTGGQWQXSCZ-UHFFFAOYSA-N	424.382	5.129	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)n1	509962733	YUHBXXGQJUEILW-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
F[C@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2ccc(OCC(F)(F)F)nc2)n1	512070333	CRGWISGEMVRUTR-CYBMUJFWSA-N	421.272	5.150	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1	512961152	PYUJGEFSLQPEOL-UHFFFAOYSA-N	400.906	5.370	30	20	HKED	
N#Cc1cccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1F	513235756	FDHFLCHLHKNWJK-UHFFFAOYSA-N	414.893	5.148	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccc(COC4CCCC4)cc3)CC2)c(F)c1	513287885	WJVICMQIJOEUKD-UHFFFAOYSA-N	421.516	5.012	30	20	HKED	
CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	513507771	QXCZLUQKTLOINS-SFHVURJKSA-N	402.498	5.193	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccccn3)cc2Cl)cc1	515149676	HUQCIIGXUWROFG-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
C=CCN(C(=O)c1cnc2onc(C(C)(C)C)c2c1)c1nc(-c2ccccc2)cs1	516054959	DYTBWFCMPXURBT-UHFFFAOYSA-N	418.522	5.477	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1	517132228	PWZRQAFDESVKRS-UHFFFAOYSA-N	420.557	5.326	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C2CC2)o1	518902176	UNSMHROVMCSOKE-AOMKIAJQSA-N	413.477	5.267	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1	519011835	ZJMUXNHVQIHFOG-KRWDZBQOSA-N	420.538	5.367	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)c(Cl)c1	519419848	PXLPCKBMTDTRFQ-ZIAGYGMSSA-N	422.978	6.164	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c([N+](=O)[O-])c1	522572384	SPEDFKPYASPYRU-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
N#Cc1cn(CC/C=C/c2ccc(Br)cc2)c2ccc(Cl)cc2c1=O	522685460	FCVOIBMPMIIQAF-HNQUOIGGSA-N	413.702	5.393	30	20	HKED	
N#C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C1CCCCC1	524534273	KMHVKYXNJCBXGA-SFHVURJKSA-N	402.951	5.410	30	20	HKED	
Cn1c([C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)nc2ccccc21	524698977	NGGRKVOBMHFTRM-OAQYLSRUSA-N	415.884	5.009	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cc(C#N)ccc3C)c2)cc1	531310117	LSLAZWGURSHEHR-UHFFFAOYSA-N	412.489	5.220	30	20	HKED	
CCOc1cc(Br)ccc1NCc1ccc(OC)c(OCCCC#N)c1	531908559	DMTJUOINLDSKHS-UHFFFAOYSA-N	419.319	5.151	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1	532762002	GDOONJODLVUVJB-IBGZPJMESA-N	419.550	5.315	30	20	HKED	
C=C[C@@H](CC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccccc1	536132360	XAGCKKRIMAGKIJ-QHCPKHFHSA-N	421.544	5.575	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)Cc2csc(Cc3ccccc3)n2)cc1	540200018	ZOWWBIJKCMIYCE-UHFFFAOYSA-N	423.541	5.131	30	20	HKED	
C[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(C#N)c(F)c1	540707641	LXERSDAZURSELF-HNNXBMFYSA-N	406.423	5.115	30	20	HKED	
Cc1nccn1CCN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543052923	QRKCILQBYZGGJD-ZDUSSCGKSA-N	419.291	5.122	30	20	HKED	
CC1CCN(c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cn2)CC1	545449588	ZMNDOKXUCUBOGY-INIZCTEOSA-N	410.930	5.071	30	20	HKED	
CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1	549420795	WVAHEXRAQMDCGE-UHFFFAOYSA-N	403.983	5.010	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	557581908	KLGVRZVEDYXYEG-JKSUJKDBSA-N	413.543	5.228	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCOc1cc(Cl)ccc1Cl	577297753	FXMQJLDJCRBWIK-UHFFFAOYSA-N	407.684	5.221	30	20	HKED	
C=CCc1cc(/C=C(/CC(=O)O)c2nc3cc(Cl)ccc3s2)cc(OC)c1O	592981788	CITVUGPZEQZZAA-ZSOIEALJSA-N	415.898	5.408	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)Oc1ccccc1F	603533209	SYAXBGTWINKXCG-KRWDZBQOSA-N	406.432	5.146	30	20	HKED	
C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603766911	ZRSSLUYHTMLBQG-DNVCBOLYSA-N	408.860	5.541	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccccc3)cn2)c1	603829164	LNULMPKEBZYPQG-HSZRJFAPSA-N	412.493	5.895	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCOc4c(Cl)cccc43)cn2)cc1	604362115	JRLRHNLMSNQMPX-IBGZPJMESA-N	420.856	5.044	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1Cl)c1ccccc1	604512995	KTKXJBWQAGSJJG-MRXNPFEDSA-N	404.901	5.435	30	20	HKED	
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1Cc2ccccc2-c2ccccc2C1	608788781	AKCBIPBSOAKJND-LJQANCHMSA-N	413.496	5.144	30	20	HKED	
CCN(Cc1nnc(-c2c(Cl)cccc2Cl)o1)[C@@H](C)c1ccc(C#N)cc1	608832368	IVQJHUKWKILEOW-ZDUSSCGKSA-N	401.297	5.498	30	20	HKED	
COc1ccccc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609078824	QNVBDGRRVJBRKG-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
CCCOc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	609399342	OVHIIMVQGZBBOK-INIZCTEOSA-N	413.543	5.057	30	20	HKED	
Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	609435005	KDEBUIZHZDNOEP-IBGZPJMESA-N	423.582	5.773	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N)CCC2	609555406	JEZGQSKPASQILP-CXAGYDPISA-N	400.573	5.245	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)[C@@H](C)Oc3ccc(C#N)cc3)s2)cc1	610050625	FNVAIXMMIATDKY-QZTJIDSGSA-N	419.550	5.286	30	20	HKED	
COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	610182462	VTFINFLNHFQYSV-AHWVRZQESA-N	412.489	5.014	30	20	HKED	
COc1cccc2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)oc12	620304576	PEEKRUZVWXQOHG-GFCCVEGCSA-N	410.401	5.333	30	20	HKED	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622477559	DFWHYXXBFCNOSZ-BZNIZROVSA-N	423.328	5.422	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c(F)c2)cc1	730349268	FEZQQTRWGBCALM-UHFFFAOYSA-N	422.843	5.122	30	20	HKED	
C#CCOc1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1	730979135	NXIVWAIXORTCAD-UHFFFAOYSA-N	412.367	5.157	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(c2cccc(C)c2)C(=S)N[C@H]1c1cscn1	731421819	CPMOFIGQAVAJTE-FQEVSTJZSA-N	423.538	5.027	30	20	HKED	
C[C@@H](C#N)CNC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1	732112173	RPKHYKZKXDSWCH-OVBDPADQSA-N	402.519	5.144	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	732499176	LTIDNSWIJLLFDU-KDOFPFPSSA-N	414.502	5.835	30	20	HKED	
C=CCCO[C@@H](C)C(=O)O[C@@H](c1c(F)cncc1Br)C1CCCCC1	732524164	QIWORMVAZVNBAN-SCLBCKFNSA-N	414.315	5.129	30	20	HKED	
O=[N+]([O-])c1cccc(-c2nc(C=NNc3ccc(OCC(F)(F)F)cc3)cs2)c1	733076547	SOZRLYBOKVORLB-UHFFFAOYSA-N	422.388	5.105	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1c(Cl)cccc1Cl	733258615	GQCNOLPPNRLFLD-ZDUSSCGKSA-N	418.505	5.404	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(COc2cccc(F)c2)c1	734078951	GRWLJCRYJRZKFQ-LJQANCHMSA-N	422.843	5.019	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)c1ccncc1	734234208	JMMKBFVFJARXRQ-IBGZPJMESA-N	405.546	5.060	30	20	HKED	
C=CC[C@@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccncc1	734456738	BSVSQLYBTZPWDA-MRXNPFEDSA-N	403.429	5.271	30	20	HKED	
C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(CC#N)C2CCCC2)c1=S	738256624	ORSKIGICMMZSHN-IBGZPJMESA-N	417.582	5.416	30	20	HKED	
CCCCCCOc1cccc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)c1	742386019	YXRDABNMXWBPDU-UHFFFAOYSA-N	407.558	5.091	30	20	HKED	
CC[C@](C)(CCCNC(=O)c1ccccc1Sc1ccccc1C#N)C1OCCO1	746005684	TUOWGLAZMRVYPR-XMMPIXPASA-N	424.566	5.009	30	20	HKED	
Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1coc2ccccc12	746563490	DGIWNTMYVHPHNJ-UHFFFAOYSA-N	419.293	5.081	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1)c1ccccc1	749221143	HOBKNNFEBGPMED-YADHBBJMSA-N	419.550	5.038	30	20	HKED	
COc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)ccc1OCC(F)(F)F	750904119	FGYFAKHYGDPDAZ-CSKARUKUSA-N	416.399	5.027	30	20	HKED	
CSCc1cc(F)ccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	755776516	OKGXLQGEGYOHDV-HSZRJFAPSA-N	419.525	5.666	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2c2ccccc2Br)c1=S	755925612	SNUFQCFLYTYVLA-QGZVFWFLSA-N	419.392	5.035	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(OCC(F)(F)F)c(F)c2)S1	757920950	UMMPPGVNLURPBB-CXUHLZMHSA-N	424.419	5.275	30	20	HKED	
CC(C)(O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	760901798	SRFAIVLIFLIVNL-UHFFFAOYSA-N	402.519	5.330	30	20	HKED	
O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771099345	QXAFREYRJHPVEZ-CTDFXDFQSA-N	407.441	5.325	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)ccc1OC	772980932	WNMMYTFCFFVMRE-APWZRJJASA-N	420.431	5.052	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3[C@H](O)C(F)(F)F)c2)cc1	777832792	DHIBEHDEPMSYKL-FQEVSTJZSA-N	412.367	5.199	30	20	HKED	
C#CCCCCCC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	779954096	KQBJXFFYTNVDRY-UHFFFAOYSA-N	402.494	5.227	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl	780675625	RWGRWERSQBKRMA-CABCVRRESA-N	401.869	5.009	30	20	HKED	
N#Cc1cccc([C@@H](NCc2ccc(Br)cc2Cl)C(F)(F)F)c1	783670212	IEJJZYOTTBDJPT-OAHLLOKOSA-N	403.629	5.367	30	20	HKED	
N#C[C@@]1(F)CCN(Cn2nc(SCc3cccc4ccccc34)sc2=S)C1	786105711	GBOFLNQFDYEXOJ-IBGZPJMESA-N	416.572	5.015	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Br)cs2)ccc1OC	786854424	NQJWHSZIZIOJNC-WFASDCNBSA-N	409.349	5.051	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@H](C#N)c1nccc2ccccc12	792099747	JDYSIWPKHPDBPF-LJQANCHMSA-N	413.546	6.070	30	20	HKED	
O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ncsc1C(F)(F)F	801678240	GBZNEQHKZAGQPK-VIFPVBQESA-N	423.256	5.641	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1	810147194	GVGAKLDXIHLQPD-CQSZACIVSA-N	419.447	5.775	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nccc2ccccc12)c1ccc(F)c(Br)c1	813089771	HLWGEIBOAIGGGV-GUYCJALGSA-N	411.274	5.506	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1	915085107	GFRCDRXKJJUVHQ-SANMLTNESA-N	416.480	5.825	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1	915087166	QWTBQRXBXUHJSS-DEOSSOPVSA-N	408.457	5.766	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2CCC(c3ccccc3)CC2)c1=S	915202996	JBCYBMBNCXTRPP-UHFFFAOYSA-N	404.583	5.028	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	916932124	PXIAOZCXIBNJGT-BBOMDTFKSA-N	401.293	5.279	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2)cs1	916975885	GFTJADWPJQLELP-CQSZACIVSA-N	407.347	5.987	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	917045681	ZSVCYIVGBCFXOD-KRWDZBQOSA-N	410.420	5.887	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	920113100	PUUKQMIFGZFCJS-CRAIPNDOSA-N	409.436	5.126	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](CCc1ccccc1)c1ccccc1	920877867	PCNPMNYGSSLYMM-XMMPIXPASA-N	414.505	5.126	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1	1789015302	OHHOEZHVAYZCLK-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C)cc4)cc3)CCC2)C1	1791338355	UZRWCRWYUNBNPL-UHFFFAOYSA-N	402.538	5.028	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C(C)(C)CC(=C)C)CC2)C1	1804862239	OJKUSLVZIKNUFF-UHFFFAOYSA-N	402.623	5.202	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CC=C)C(=C)C)[nH]n1	1814442935	BDRHRPKCTMMFMS-ICSRJNTNSA-N	412.578	5.163	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)c1	11126900	QVDHDTFCFYZQIO-UHFFFAOYSA-O	411.550	5.795	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccc(OC)cc1	12477522	XKKJVUBNJBCCBN-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
C=CCn1c(SCc2c(C(=O)OCC)sc3cccc(F)c23)nnc1C1CC1	25060387	LFMZRPXEMIOOFP-UHFFFAOYSA-N	417.531	5.164	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	60016462	PPZRCLQJUZZZAJ-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1	165117830	VJZHUCPIBCWIQK-RVDMUPIBSA-N	415.489	5.307	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)C1CC1	303381120	MOLUKFBXNWJRDF-MRXNPFEDSA-N	413.974	5.195	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(-c3cccnc3)nc3ccccc23)s1	430622875	GAEZWWTXWQCUCK-SFHVURJKSA-N	412.518	5.541	30	20	HKED	
N#CCCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1	431642100	ZJFRTTBNWLIDBH-MRXNPFEDSA-N	416.852	5.072	30	20	HKED	
O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	434121563	SEEYTYPFSWIZTR-DSNUTCFNSA-N	423.372	5.694	30	20	HKED	
CCN(C(=O)c1cc(C#N)oc1C)[C@@H](c1cccnc1)c1csc2ccccc12	435448833	KZERORVJWKDCIJ-QFIPXVFZSA-N	401.491	5.321	30	20	HKED	
C[C@@H](c1ccccc1)n1c(SCC(=O)c2cccc(C#N)c2)nnc1-c1ccccc1	439047251	OXCPJVFVAINCKN-SFHVURJKSA-N	424.529	5.401	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@H](C#N)c1ccccc1Cl	439082251	BQNDWJCFKBWHAU-MRXNPFEDSA-N	420.683	5.605	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cs2)c1	443885937	RCQXCYJJTOTISG-UHFFFAOYSA-N	401.413	5.190	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(OCc3ccccc3)c2)c(C#N)c1C	444732001	PJRJTPRCJPRTOI-ROUUACIJSA-N	417.509	5.025	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccsc1Cl)c1ccc(C(F)(F)F)cc1	445922384	VZWIVOJMENZLAW-CYBMUJFWSA-N	416.852	5.183	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(Cc3ccc(F)cc3)no2)n1	447346042	BDGNFKGQCMEWBR-LLVKDONJSA-N	422.407	5.247	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cccc(-n2cccn2)c1	465206397	LSTCJFVBXVDCHI-LJQANCHMSA-N	422.488	5.222	30	20	HKED	
CCS(=O)(=O)c1ccccc1Oc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1	465402910	LKJAAXOEZGEZBG-QGZVFWFLSA-N	406.507	5.317	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(F)ccc2OC(F)F)c1	470145651	XKZRYOOANKBKOM-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1	472883598	UOGIMQMXQKIJOI-UHFFFAOYSA-N	406.461	5.016	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](OCCCc2ccccc2)C1	475548483	REEDSYYHCAUGJX-QHCPKHFHSA-N	406.570	5.794	30	20	HKED	
C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1	476399473	SAFVTHSUCQUNAK-WVBUVRCRSA-N	400.444	5.702	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(Br)s1)c1ccccc1	476674089	RIHBQIBZKKPYSW-JKSUJKDBSA-N	403.345	5.262	30	20	HKED	
Cn1cc(CNc2cccc(OCc3cccc(F)c3)c2)c(-c2ccc(C#N)cc2)n1	479928121	RUILRBVBBRPFJX-UHFFFAOYSA-N	412.468	5.289	30	20	HKED	
C[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1	480885991	QHZXZFCTMOVBTE-HNNXBMFYSA-N	407.876	5.454	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCCN(Cc4ccccc4)c4ccccc43)o2)cc1	483055803	CAWCOQDQULMHTQ-UHFFFAOYSA-N	421.504	5.025	30	20	HKED	
Cc1ccc2c(c1)CCN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)C2	484178966	PQBDOFYZZBPJRH-UHFFFAOYSA-N	411.505	5.230	30	20	HKED	
C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2ncsc2c1	485828600	ACLNXSNAFCDCKI-AWEZNQCLSA-N	424.595	5.178	30	20	HKED	
CCO[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1	486893589	FIYAFVOYSTYJHX-OAQYLSRUSA-N	402.519	5.217	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	497834397	RESOOFWMGMGDCT-MRXNPFEDSA-N	420.509	5.489	30	20	HKED	
C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1ccccc1C	498020918	WOUMAAVTMLCDKR-UHFFFAOYSA-N	415.522	5.314	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OC(F)F)cc3)c2)cc1	501448500	HMBWHENEKSQFFE-UHFFFAOYSA-N	408.404	5.185	30	20	HKED	
N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)c1	501743883	FPSJFEWOSBNSLA-UHFFFAOYSA-N	415.537	5.097	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(CCC(F)(F)F)cc3)s2)cc1	503367231	ASQLGLRWKJUSQV-UHFFFAOYSA-N	415.440	5.353	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1	503838552	FLYWEDKFMQNFCO-UHFFFAOYSA-N	419.937	5.194	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCc1nc(-c2cccc(Oc3ccccc3)c2)no1	504617634	BBUWGVSJEBTFLT-UHFFFAOYSA-N	413.481	5.041	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C(F)(F)F)cc1	506681747	LQKRAHURVPJVAA-UGSOOPFHSA-N	423.460	5.372	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(OCC(C)C)CC2)cc1	508275182	OUZCWMBVSNWYPC-UHFFFAOYSA-N	423.513	5.028	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](COCC)C1	508463495	GZQPNKFRSLJTKC-PMACEKPBSA-N	420.557	5.010	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(SCC)cc2)cc1	509232060	BZSZZKCNNQVZGN-SFHVURJKSA-N	423.582	5.496	30	20	HKED	
Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(-c2cccs2)n1	509897798	HOPJIRSICOIGTF-AWEZNQCLSA-N	424.938	5.416	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510809951	HTICGFBETDHLGD-UHFFFAOYSA-N	423.856	5.264	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1C1CCCCC1	515540312	NAVLOMYAXDSFHI-GOSISDBHSA-N	410.468	5.845	30	20	HKED	
CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	517844122	HZJOICDYQJZOGJ-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1cccc(Cl)c1Cl	518207462	LQAZPVUJCZXNKC-KRWDZBQOSA-N	414.317	5.534	30	20	HKED	
Cc1ccccc1CNC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	518667718	KCSGXATZIMCTBP-HNNXBMFYSA-N	421.488	5.136	30	20	HKED	
CC(C)(C)n1nc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1C1CC1	518728326	IZIJLRWGOKELPD-UHFFFAOYSA-N	400.482	5.432	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	521952059	AJWXLMHCVWPCHK-SJORKVTESA-N	405.350	5.018	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1	523420837	CHHRBUMXMALJTK-UNMCSNQZSA-N	417.553	5.219	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)CC1	523522097	VVFCHVLSJKPFPP-SFHVURJKSA-N	411.977	5.408	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C(C)(C)C)cs1	524489234	ZKFMZYVGOZTSAO-INIZCTEOSA-N	419.550	5.382	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cnc(-c4ccncc4)s3)c2C#N)C1	525004977	LTHXBQVNHZLXNJ-CQSZACIVSA-N	422.579	5.542	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)c1ccc(F)c(F)c1	525155709	YBIHZJVNIXJKBX-GFCCVEGCSA-N	412.249	5.185	30	20	HKED	
CC(C)OC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	531184406	JIQCSXVMWWHYEO-NRFANRHFSA-N	411.933	5.417	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(C#N)s1	533808202	JBBOZBCLBYTBSZ-UHFFFAOYSA-N	415.465	5.422	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCOc2c(Cl)cccc21	537255384	TZWYTPYTCOMPJQ-WMLDXEAASA-N	415.946	5.627	30	20	HKED	
Cc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1	537477374	IBPNKLQTPHHWHK-ZDUSSCGKSA-N	403.294	5.014	30	20	HKED	
N#CCCCOc1cccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1	538724174	WLSQHSODRDUHHP-MRXNPFEDSA-N	409.477	5.224	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1	539098573	HWOKSERWSYGZEJ-UHFFFAOYSA-N	421.456	5.001	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)c(C#N)s1	540272268	FLODPPHVLJGIFD-UHFFFAOYSA-N	403.507	5.166	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2)o1	542000911	XGXZZBTXUKBOQB-INIZCTEOSA-N	408.461	5.075	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1	544030252	DNZGGDZDDLYGJK-UHFFFAOYSA-N	424.460	5.090	30	20	HKED	
CCC(CC)n1ncc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C	550154366	KGQORVZABZHQEP-XMMPIXPASA-N	416.525	5.126	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1	553613828	RMNVZPDAOVYPHP-CYBMUJFWSA-N	423.519	5.185	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C(F)(F)F)cn1	556337567	WDRQFGBDDYIIRQ-UHFFFAOYSA-N	420.460	5.058	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C	558853573	JVPZOMZZDKDDIU-UHFFFAOYSA-N	405.473	5.425	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc1Cl	559822099	ZAGLRFBLXFSQSP-JTHBVZDNSA-N	416.912	5.663	30	20	HKED	
CC(C)(C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc(F)cc(C#N)c1	560567227	VBIJJBMARRNAED-UHFFFAOYSA-N	407.489	5.132	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)ccn1	563846300	HCQUUHCYAHTTLX-UHFFFAOYSA-N	424.460	5.362	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1	576434724	LHUBMWXVAJGOOO-HTAPYJJXSA-N	422.504	5.093	30	20	HKED	
N#CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2Cc2cccs2)CC1	577071091	DMYSECDCHIYENN-UHFFFAOYSA-N	423.611	5.125	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	588343312	XJLRSQVPJRIUMI-KRWDZBQOSA-N	408.461	5.111	30	20	HKED	
N#CCCCCCC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21	588924838	IIEWLIMRWVPSJG-UHFFFAOYSA-N	408.477	5.223	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	590208884	INDXXRQYDHPINU-LBPRGKRZSA-N	417.506	5.542	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc1	604084823	ADOFCLMYCYWNKD-IBGZPJMESA-N	412.331	5.619	30	20	HKED	
COc1ccc(C(C)(C)C)cc1NC(=O)c1occc1COc1cccc(C#N)c1	608802611	IOCFYLFFUDXEPR-UHFFFAOYSA-N	404.466	5.289	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1cc(C#N)ccc1OC(C)C	608995176	AHKSPCXHYJSESG-UHFFFAOYSA-N	406.511	5.099	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c1	609700182	JKDIBCRYCRCKKT-OAQYLSRUSA-N	414.958	5.077	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCc3ccc(C#N)cc3F)s2)cc1	610100817	JSIVMHJKYWPPIX-INIZCTEOSA-N	422.529	5.340	30	20	HKED	
CN(C)CCn1ccc2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc21	610112929	XBYCCVBIHOMQEQ-UHFFFAOYSA-N	424.504	5.119	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1	611357555	CILIVMBFBATDPX-RTWAWAEBSA-N	419.525	5.330	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4ccco4)sc3C)n2)cc1	613318136	LWVGXNNZQRURJT-HNNXBMFYSA-N	405.504	5.634	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccc(Oc4cccnc4)cc3)no2)cc1	615132038	XDZPIIHUJNAWFL-QFIPXVFZSA-N	409.449	5.137	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc3cnncc23)cc1Cl	617149276	XUQPRBWAEHAMEP-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1NC(=O)Nc1ccccc1	619763633	NESHOQUOCOMQIC-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c3ccccc3n2)o1	642281323	ZUJCMCQKNHCNNA-GOSISDBHSA-N	406.445	5.180	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C#Cc2ccccc2)cc1)c1nc2ccccc2n1C(F)F	642282342	FTAHGOOYRPBDNY-FQEVSTJZSA-N	411.411	5.321	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc2ccccc2n1	673812283	SQKJBDOFCMDJBQ-MRXNPFEDSA-N	423.419	5.867	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727086584	LLYGAEJBWSPXFV-OXJNMPFZSA-N	424.422	5.767	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727086586	LLYGAEJBWSPXFV-UZLBHIALSA-N	424.422	5.767	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)[nH]c1C	728517777	KRHJMHWVYXFKCR-UHFFFAOYSA-N	408.461	5.610	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	728697874	YPNBYMMGZAYUDB-RPTYSRGTSA-N	413.317	5.911	30	20	HKED	
CCOc1cccc(/C=N/Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1O	728785755	PPSPYPVAGKANHQ-OGLMXYFKSA-N	411.505	5.322	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)c1	731319920	SGRMTATVBNCRNW-GDNBJRDFSA-N	422.484	5.160	30	20	HKED	
CC(C)COc1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	731411732	GUJRZYIDLHYOHO-HNNXBMFYSA-N	412.461	5.613	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)co1	731966473	KFAYKBDXJWYOFA-UHFFFAOYSA-N	409.445	5.761	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1C(F)(F)F	733081260	SISZQFDXCKOSAX-HJWRWDBZSA-N	404.369	5.633	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(NCCc2cccs2)s1	735230578	NDINGXLGJQWEQQ-UHFFFAOYSA-N	422.988	5.102	30	20	HKED	
CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN(CCC#N)C(C)C)c1=S	739840912	ABHRLBUGNAALJI-UHFFFAOYSA-N	420.586	5.170	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1c(Cl)nc2sccn12	741843475	GMVJPSZHNPCKBE-FPLPWBNLSA-N	403.294	5.093	30	20	HKED	
CC(=NOCc1nnc(-c2cccc(F)c2)o1)c1ccc(-c2ccc(F)cc2)s1	742354800	NYWATVLOPDBGKW-UHFFFAOYSA-N	411.433	5.684	30	20	HKED	
CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccccc2C(F)(F)F)cc1	744806168	IGMDSEHQQHXDCP-UHFFFAOYSA-N	420.460	5.170	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1	744845036	GTGNRKAXHSLLLH-INIZCTEOSA-N	407.514	5.164	30	20	HKED	
COc1ccc(-c2cc(C(=O)N(CC#N)c3ccccc3)c3ccccc3n2)cc1OC	745353701	HUXHHNWEGZNLJE-UHFFFAOYSA-N	423.472	5.089	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)c1cccc(F)c1	746126343	WZYIMLBMOYYDOW-GAJHUEQPSA-N	400.453	5.329	30	20	HKED	
C=C(C)COc1cc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC	747064583	YLXCUYFIPOHBOP-YVMONPNESA-N	404.409	5.156	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(CCC(F)(F)F)CC3CC3)c2)s1	752381545	XCQVOARCSZUWHA-UHFFFAOYSA-N	407.461	5.161	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2nnc(-c3ccccc3Cl)s2)ccc1OC	760539261	CNWXMKRKBURDAZ-CQSZACIVSA-N	414.918	5.160	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl	764054068	PGAJGOJMIGOLBZ-FYYLOGMGSA-N	419.912	5.505	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@@H]2c2ccccn2)c1=S	764910684	WMCSMBBPCVFZIQ-LJQANCHMSA-N	411.962	5.110	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccncc1	768075596	APKSTIPREJAHEI-IFMALSPDSA-N	406.917	5.030	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(CC)o2)cc1C#N	775688040	GDTSDGRGSABXFT-QRWLVFNGSA-N	424.501	5.287	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(F)cc2F)CCC1)c1nc2cc(Cl)ccc2s1	777303788	FVNANIOHGHDUIW-ZDUSSCGKSA-N	402.853	5.526	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1ccc(C#N)cc1F	781108797	SVLCMKZFJRAPFH-KTKRTIGZSA-N	424.273	5.159	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)F)cc1)c1ccc(Cl)cc1Cl	787050231	BZGVIDYCODKNFQ-BONVTDFDSA-N	411.235	5.131	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c(-c2ccncc2)n1	788348887	FMOJDOSUFKLIRH-FMIVXFBMSA-N	420.472	5.547	30	20	HKED	
Cc1cc2oc(=O)cc(COC(=O)C[C@@H](CC#N)c3ccccc3)c2cc1C(C)C	795981107	LIUQYBOHUROVKB-LJQANCHMSA-N	403.478	5.356	30	20	HKED	
C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)[C@@H]1c1ccccc1	797549463	KKUVCVCESXKSHP-RQXAQYCVSA-N	400.425	5.541	30	20	HKED	
C=CC[C@@H](OC(=O)c1nc(-c2cnn(C)c2)oc1C)c1ccc(Cl)c(Cl)c1	797553774	KPRJNAWYAWLMGB-MRXNPFEDSA-N	406.269	5.165	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	802036437	XDIVUYJMVXMSDQ-YJBOKZPZSA-N	402.347	5.098	30	20	HKED	
CC1(C(=O)N2Cc3cccc(Cl)c3C2)CCN(c2ccc(Cl)cc2C#N)CC1	807718336	VNTFGPXSRGLNQQ-UHFFFAOYSA-N	414.336	5.014	30	20	HKED	
N#Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(/C=C3/Cc4ccc(C#N)cc4C3=O)c1)C2	811693548	JCBBVUDPIHTUJK-RJVPWCEXSA-N	412.448	5.075	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813212709	GCVLCQNVBHIAAA-WIYYLYMNSA-N	412.436	5.810	30	20	HKED	
CC(=NNc1ccc(F)cn1)c1sc(-c2ccccc2Br)nc1C	814842671	NNECGOAVQWRGMP-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(F)c3)n2)cc1	815910669	DHKDYARJYLLBDV-OAHLLOKOSA-N	400.862	5.166	30	20	HKED	
C=C(C)CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S	913514745	AKJSRFMPBZQRJN-SXGWCWSVSA-N	402.522	5.101	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(-c3ccccc3)cc2Cl)c1	916897048	SNSFUDPAVYWWEL-HXUWFJFHSA-N	418.880	5.042	30	20	HKED	
CN1c2ccccc2C(=O)N(c2ccccc2Cl)[C@@H]1c1cccc(OCC#N)c1	917503771	WYDJUQWVDJJFKW-JOCHJYFZSA-N	403.869	5.038	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)c2ccccc2OCC#N)c2cccs2)cc1	919990495	YFNNYPSMDZRYSO-SBUREZEXSA-N	404.535	5.683	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1	920013239	QNWOSIOQLZGDQM-NVNXTCNLSA-N	415.880	5.140	30	20	HKED	
COc1cc(/C=C2\Cc3c(F)cccc3C2=O)cc(Br)c1OC(F)F	921263468	DRQDBBLBDPSXIE-BJMVGYQFSA-N	413.189	5.021	30	20	HKED	
N#Cc1ccc(CN(Cc2cc(F)ccc2Cl)c2ccc3nc(O)[nH]c3c2)cc1	1644837549	LNXFGLOIBIZONY-UHFFFAOYSA-N	406.848	5.139	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1	1791589274	ROWPDMNQSCBKGC-UHFFFAOYSA-N	424.500	5.910	30	20	HKED	
Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(C#N)c3)[C@H]2c2cccs2)cc1	15644164	JXBWBXKGABCUAP-OFNKIYASSA-N	415.518	5.051	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2o1	41540202	NTRVSOIIMUXRIC-NSHDSACASA-N	412.232	5.588	30	20	HKED	
CN(C)Cc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	47538247	ANGUEHXDGGBUDS-UHFFFAOYSA-N	401.535	5.164	30	20	HKED	
N#CCCn1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21	57759318	OWJBOVHOVMUMNB-UHFFFAOYSA-N	422.897	5.233	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OC(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	60477540	YWYHZPUZGBKIGV-HNNXBMFYSA-N	404.825	5.555	30	20	HKED	
C=CCn1c(Sc2nc(C3CC3)nc3sc4c(c23)CCCC4)nnc1C1CC1	60858574	FSQOTQCNWOFFAP-UHFFFAOYSA-N	409.584	5.254	30	20	HKED	
C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C)c1ccccc1	61338864	OVIKMHBLCFYGIA-UHFFFAOYSA-N	424.957	5.096	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3nnco3)cc2)cc1	63820525	QJXNLCPFLPVEBL-UHFFFAOYSA-N	412.474	5.153	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCCc4occc43)c2)cc1	97438330	DMBXLSPPBAHWEG-QFIPXVFZSA-N	401.466	5.124	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)c(Br)cc1O	195713835	UHCKGNLEAVQEMJ-NSCUHMNNSA-N	408.100	5.428	30	20	HKED	
C=CCc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc(OC)c1OC	247911530	KQEAEBJKKZFENW-UHFFFAOYSA-N	413.564	5.398	30	20	HKED	
CCn1cc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc21	303067272	WFBSZXAJMXAQMI-UHFFFAOYSA-N	423.516	5.487	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)cc1	303570059	IZAUCGOGKJEAOU-XMMPIXPASA-N	417.553	5.048	30	20	HKED	
Cc1ccoc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	432850514	GQGRTEOHZZOJAX-UHFFFAOYSA-N	409.873	5.356	30	20	HKED	
CN(Cc1ccccc1NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1	435053039	LRHKDCBGFWKBOE-UHFFFAOYSA-N	407.521	5.207	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	436151338	LLLLKHBTHTYQBT-UHFFFAOYSA-N	404.813	5.101	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Br	436331783	OEGKFWPALIZJDM-FUHWJXTLSA-N	403.707	5.014	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(N2CCCCCC2)c1	438269421	IIMFXHOXEBLHNY-ZEQRLZLVSA-N	402.542	5.371	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCOc3ccccc32)c1	460336476	ALHFISWGXNITEN-QFIPXVFZSA-N	402.881	5.311	30	20	HKED	
COc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1	461721754	FRHVZHRSSMYGJD-UUOWRZLLSA-N	423.516	5.100	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc1OC	462763430	OPXOOOTUCQMKDS-IBGZPJMESA-N	403.522	5.786	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc3c2CC(=O)CC3)cc1Cl	463590601	NSUKMWCGGJJJIX-QHCPKHFHSA-N	414.892	5.306	30	20	HKED	
CC#CCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	464447027	QRKWMJHOKNZCPI-UHFFFAOYSA-N	406.379	5.229	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCCc1nc2ccccc2s1	464939729	YIXUVFMMJZAHEL-CTNGQTDRSA-N	403.551	5.307	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1Cl	465662217	MRUZSQFYWJHWDL-WAIKUNEKSA-N	419.912	5.370	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(NC(C)=O)c1C)c1ccc(C(F)(F)F)cc1	467965238	YBWCXGJLYYCLSY-FQEVSTJZSA-N	404.432	5.410	30	20	HKED	
CC1(c2ccc(Cl)cc2)CCN(C(=O)Nc2ncccc2OCCCC#N)CC1	468005985	RIXSMHLSQCGZTM-UHFFFAOYSA-N	412.921	5.003	30	20	HKED	
C=CCN(Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)Cc1ccccc1F	470961392	XQXUMCRLCMXUCU-UHFFFAOYSA-N	423.557	5.268	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C[C@@H](CC#N)c3ccccc3)s2)cc1	476061883	OBSSMXFLQWTAOQ-OXQOHEQNSA-N	419.550	5.392	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(F)c(F)c1	476748331	RZVUMQYCXJVMHT-XIKOKIGWSA-N	420.410	5.387	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccccc1SCC#N	476997175	TZACLANNRKVSNL-HOTGVXAUSA-N	401.963	5.018	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C)ccc1Oc1ccccc1	477137470	VKTVSBFZLNZIJJ-UHFFFAOYSA-N	406.482	5.483	30	20	HKED	
C[C@@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(-c2cccc(C#N)c2)cc1	477924996	GWOVWOQXOGXOQU-QGZVFWFLSA-N	422.463	5.312	30	20	HKED	
O=C(CCOCC(F)(F)C(F)F)Nc1ccccc1-c1cc(F)c(F)c(F)c1	479900225	KMSZZMPQYVEWLY-UHFFFAOYSA-N	409.301	5.017	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C)c1C(=O)N1CCCC1	480116476	HXPVIFFBTIHREJ-UHFFFAOYSA-N	417.962	5.166	30	20	HKED	
C=CCN(C(=O)c1cc(C2CC2)nc2ccccc12)c1nc(-c2ccccc2)cs1	483322485	HMXYMQKBOBNMME-UHFFFAOYSA-N	411.530	6.069	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	485332542	HIYSIQRXIZNWLV-IAGOWNOFSA-N	401.514	5.584	30	20	HKED	
CCc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1C	485345166	SHLNNOXWZSXYHB-HYBUGGRVSA-N	413.525	5.047	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(-c3cncnc3)cc2F)ccc1Oc1ccccc1	490477827	FUVFADJCJDIKIR-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCOC2CCCC2)cc1Cl	490652068	YXGQKEKRLAYGEH-NRFANRHFSA-N	411.933	5.466	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1	494995185	GJVGSUVYBJDUHK-JOCHJYFZSA-N	420.534	5.094	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1	496269055	WRTHMWJVAUZRRX-KRWDZBQOSA-N	422.495	5.202	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1cccnc1	496572338	LYGGFWXFYQQWEG-UZUQRXQVSA-N	419.912	5.012	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C	501842464	OYHSDVDJVOBHAL-FQEVSTJZSA-N	408.901	5.049	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	503011947	ADDQBRJYPOKARS-AVRWGWEMSA-N	422.525	5.335	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	505433329	OWKRWXBNCAQJJM-CYBMUJFWSA-N	422.724	6.016	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)c1C#N	506087249	BBVNLVWYCQWVFN-UHFFFAOYSA-N	406.536	5.237	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCCC[C@H]3c3ccccc3)s2)cc1	509651504	MSCGWOJCTROHBF-QFIPXVFZSA-N	416.550	5.755	30	20	HKED	
C=CCOc1c(Br)cc(CN2CCC[C@H]2c2cc(C)no2)cc1OCC	509764133	DXHDOWFEEXQCAH-KRWDZBQOSA-N	421.335	5.046	30	20	HKED	
CCN(Cc1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510024495	TXJJVCYCCZJEEE-HXUWFJFHSA-N	409.942	6.111	30	20	HKED	
CCN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H](C)c1cc2ccccc2o1	513109347	YAMMJGCIQORLHX-OAHLLOKOSA-N	417.444	5.244	30	20	HKED	
Cc1nc(-c2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2)cs1	517669377	ZBUJWRDNUOXIKM-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2sccc2-c2ccccc2)CC1	518395476	LCQQRSVAROFZKG-UHFFFAOYSA-N	402.519	5.407	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)c1ccccc1SCc1ccc(C#N)cc1	518796592	RBQXPWAKTINLPM-UHFFFAOYSA-N	408.473	5.401	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1OC	520228672	DIWXOVHMUCRAKV-KRWDZBQOSA-N	408.567	5.851	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)CC1CCOCC1	523594556	UMNKWFYEKMGBNO-LJQANCHMSA-N	423.582	5.399	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H](C)c1cccnc1	534151461	OMOABPZQYHVIRJ-MRXNPFEDSA-N	405.885	5.622	30	20	HKED	
CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n[nH]1	535681496	PCVHGYFICNBSBY-ZDUSSCGKSA-N	424.892	5.128	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2-c2nc[nH]n2)c1	536559953	DPEBAGAYLMDJAB-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1	537722842	QJJCSXYLQMXQMM-UHFFFAOYSA-N	413.506	5.021	30	20	HKED	
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)C2(C#N)CCC2)cc1	541967925	ZNPUJKPZBGXFTH-MNDPQUGUSA-N	423.516	5.248	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nccs1	542350508	UVRQSCYPCKYYGV-KRWDZBQOSA-N	420.538	5.056	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)Nc1cc(F)ccc1OCC(F)(F)F	543095905	SRNUDBVFKDMRLP-UHFFFAOYSA-N	401.322	5.464	30	20	HKED	
C[C@H](NCc1nc2ccccc2n1C(F)F)c1ccc(-c2cccc(C#N)c2)cc1	543873497	ZOTMGKJNKYFFDE-INIZCTEOSA-N	402.448	5.821	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1)C2	554886958	KIECLECCTQZFLE-ONTIZHBOSA-N	410.905	5.146	30	20	HKED	
C[C@]12CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@@H]1C2(F)F	557301382	PSPUWRDPTMMRRX-ICSRJNTNSA-N	402.828	5.121	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1C	558638737	GJGXQYDFPUIGRA-UHFFFAOYSA-N	420.557	5.185	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](COC)C1	558981746	KHKIHHYWKFTIIL-VQTJNVASSA-N	420.557	5.010	30	20	HKED	
C[C@H](C#N)CN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1	560572837	DGOBTEHLYJQECN-CQSZACIVSA-N	402.325	5.370	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cccc1[N+](=O)[O-]	561149673	JNKHPIHQJRLJON-UHFFFAOYSA-N	409.389	5.180	30	20	HKED	
CCc1c(C)sc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1C#N	568524584	ZQLIDLHLFONFRZ-UHFFFAOYSA-N	419.535	5.052	30	20	HKED	
Cc1nn(C)c2sc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc12	590615071	TUPDFLXUIDAQLF-GFCCVEGCSA-N	412.584	5.280	30	20	HKED	
N#CCn1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc2ccccc21	591862297	NZCRKEDNQMMNDG-AWEZNQCLSA-N	418.428	5.057	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1OC(F)F	603689423	LHKREETWIZUSEB-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)o1	604071731	WTKKALUVZOVTAG-UHFFFAOYSA-N	423.472	5.141	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1cc2ccccc2n1CC#N	609172387	AGRLOZVNDWDWPF-UHFFFAOYSA-N	413.452	5.444	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1nc(-c2cccs2)no1	609428353	BARPBJWPISLKTN-CQSZACIVSA-N	412.540	5.154	30	20	HKED	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	609556020	RTQBYYXTAGITNL-QZTJIDSGSA-N	402.608	5.103	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3c(F)cccc3N3CCCC3)c2)c1	609643719	FXQGQFIQXVBKFI-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C[C@H]3CCOc4ccccc43)cc2F)c1	609785289	XFMZDYXYGVKAEY-LJQANCHMSA-N	416.452	5.171	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1	609909457	JQCLCRTYUNTINO-MBSDFSHPSA-N	414.480	5.295	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1	609914876	NAXDTOOZFGEYRJ-UHFFFAOYSA-N	413.852	5.225	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)CCSc1ccc2c(c1)OCCO2	609968458	IFNQPHRUEDXYRP-UHFFFAOYSA-N	422.531	5.179	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(COC3CCCC3)cc2)c1	610054339	KEAPBRBXVVDUAW-UHFFFAOYSA-N	416.477	5.442	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1ccccc1Br	610293792	BKFVQPDFMQBXAU-HXUWFJFHSA-N	424.273	5.008	30	20	HKED	
C[C@H](N[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1)c1cccc(C#N)c1	610346093	KHVIQKXWGBDQGC-ZWKOTPCHSA-N	414.940	6.021	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1	611665762	DCAXDEZRNMQPOM-LBPRGKRZSA-N	402.869	5.879	30	20	HKED	
Fc1ccc(-c2nc(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cs2)cc1	618449949	IBIVIMFBQPLCCU-VXGBXAGGSA-N	412.374	5.512	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccn3Cc3ccccc3)n2)cc1	619756462	SKTGBLDRZVYPSE-HXUWFJFHSA-N	413.502	5.159	30	20	HKED	
O=C(c1c[nH]cc1-c1ccccc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683828928	ZJPLAPFZCWCAOS-PHIMTYICSA-N	408.317	5.024	30	20	HKED	
COc1cc(C=NOCc2ncc(-c3cccc(Cl)c3)o2)cc(Cl)c1OC	727469957	SAWPIPQJVFWSOB-UHFFFAOYSA-N	407.253	5.216	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1nc2ccccc2n1CCCc1ccccc1	728227797	BOXSRUSOWNIUHR-UHFFFAOYSA-N	411.534	5.350	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)c2ccccc2)c1	730686793	POMTYOCIFXKPOO-BKMJKUGQSA-N	423.516	5.693	30	20	HKED	
CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1cccc(C#Cc2ccccc2)c1	731001101	XTJYUHPJMGZTEG-UHFFFAOYSA-N	420.468	5.208	30	20	HKED	
C[C@@H](C#N)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1	731298505	JOHRNJDSMNSVAZ-NYHFZMIOSA-N	403.869	5.402	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	731400073	KXXWRYPJGXFVMD-QGZVFWFLSA-N	408.571	5.343	30	20	HKED	
CCc1nc([C@H](C)/N=C/c2cc(Br)cc(Br)c2O)cs1	731938639	WDARIGJRXHTESF-INAZWQERSA-N	418.154	5.116	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc2)nc1	732055864	FPBWGNYFWNJZOK-UHFFFAOYSA-N	406.445	5.741	30	20	HKED	
Cc1ccc(-c2ncc(/C=C3\SC(=Nc4c(C)cccc4C)NC3=O)s2)cc1	734306534	PWGIHWFUTHRLIZ-WQRHYEAKSA-N	405.548	5.627	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)co1	734317515	VMXSGRSENJFRLV-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)c1cnccn1	734751245	KIRDKTDCSVFNNR-ZHACJKMWSA-N	406.445	5.031	30	20	HKED	
CC(C)(C)c1ccccc1NC(=O)CSCc1cc(Cl)ccc1OCC#N	735320239	NQGWONPKWMQMTF-UHFFFAOYSA-N	402.947	5.412	30	20	HKED	
CC(C)(CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)NC(=O)OC(C)(C)C	739155684	KMLRAHHTGSHSEH-INIZCTEOSA-N	413.543	5.070	30	20	HKED	
O=C(/C=C\C1=Cc2cc(Br)ccc2OC1)c1c(Cl)nc2sccn12	741843557	HWFKZVACIXOOFX-IWQZZHSRSA-N	421.703	5.027	30	20	HKED	
COc1ccc(-c2nc(/C=C/C(=O)c3c(Cl)nc4sccn34)cs2)cc1	741845373	VIOYHSHCKJQDIT-QPJJXVBHSA-N	401.900	5.077	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2cccc(O[C@H](C#N)CC)c2)o1	745820884	MHXCUVJERBKSAG-AGHHOFFYSA-N	409.530	5.206	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1cnn(-c2ccccc2)c1	746346658	GIBVBTQOOZUHPU-VAWYXSNFSA-N	417.472	5.016	30	20	HKED	
C=CC[C@@H](NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccncc1	746601963	KNBJGAFDOWPVCX-MRXNPFEDSA-N	403.429	5.271	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1	748843370	VBJGOBSLLKGWSC-HSZRJFAPSA-N	419.488	5.257	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2c(C)cccc2C)cc1	751015866	YICBNKVWPKEAEK-UHFFFAOYSA-N	403.507	5.785	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C\SCc2ccco2)cc1	753993857	VMBWULNGFFYMQM-BENRWUELSA-N	406.463	5.338	30	20	HKED	
Cc1noc(C)c1-c1ccc(OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	759899084	JAMOVAWYVSLONT-UHFFFAOYSA-N	414.417	5.221	30	20	HKED	
COc1cccc(/C=C/C(=O)c2cc(Br)ccc2F)c1OC(F)F	763123030	XYGDWKRZHATHSC-VMPITWQZSA-N	401.178	5.094	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccccc1OCC#N	766857013	OOCFLKGPHFTHMT-UHFFFAOYSA-N	419.868	5.055	30	20	HKED	
CC(C)n1c([C@@H]2CCCN2Cc2ccc(N(C)CCC#N)cc2)nc2ccccc21	769405401	VEFHNJUXNGERGQ-DEOSSOPVSA-N	401.558	5.304	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CN(c2ccc(C(C)C)cc2)C3)CC1	772585129	IWDJKBHFJPAVRH-UHFFFAOYSA-N	418.585	5.102	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1	775372937	XSIROOCEMVLYKA-XCLFUZPHSA-N	403.295	5.120	30	20	HKED	
C#CCCOc1ccc(CNCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1	778122356	GHTMAJZOCLBTIS-UHFFFAOYSA-N	412.489	5.195	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccc(CC#N)cc1	779393888	SYNFHDXQQLBGNP-OAQYLSRUSA-N	420.513	5.299	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1Br	780156919	GXYJOTMQIAUGIX-SNVBAGLBSA-N	413.193	5.011	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccccc1F)c1ccccc1	780158248	LJJNMPLGVVBLEO-OPAMFIHVSA-N	406.482	5.589	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1	780675208	OFALXDPLMJLFMC-AWEZNQCLSA-N	403.404	5.197	30	20	HKED	
COc1ccc(-c2ccc(CNC(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1	780677290	DMLXONSWBYVOET-OAHLLOKOSA-N	407.495	5.036	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)c3ccc(C#N)cc3F)cc2)c(F)c1	781111558	PPLFTEJINLKSLF-NTLHZVPKSA-N	424.406	5.500	30	20	HKED	
CC(C)N1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C\c2ccc3cnccc3c2)C1	782302616	RETQDLKTODTKHX-IFADSCNNSA-N	419.528	5.543	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Sc3ccccc3)cc2C)n1	788577008	KWASTTNPVPWUSD-UHFFFAOYSA-N	404.539	5.030	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1)c1ccccc1	793198761	LVOUAVLBIZVASY-PZJWPPBQSA-N	411.343	5.070	30	20	HKED	
CC(C)(C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cc(F)cc(C#N)c1	797088818	PFJLDKJXWPNMJP-DEOSSOPVSA-N	416.496	5.280	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1	799207006	CHOBSQTVCMNEDP-UHFFFAOYSA-N	421.394	5.100	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3csc(C)n3)cc2)cc1	799602175	JQQZPTPAGRBDIN-NRFANRHFSA-N	417.534	5.422	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	800579054	XXKSXPFJKCISIH-UHFFFAOYSA-N	415.484	5.197	30	20	HKED	
C[C@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1	803063752	VOIOIISWUNQPHJ-ZDUSSCGKSA-N	416.355	5.062	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	805865227	WHOVHJVJSADVSG-OPAMFIHVSA-N	422.513	5.285	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(-c3ccccc3)c2)ccc1OC	806758663	BCZZUTMFNNKGGE-QFIPXVFZSA-N	415.493	5.365	30	20	HKED	
C#CCOc1ccccc1-c1noc(-c2c(-c3ccccc3Cl)noc2CC)n1	809395913	UTDBGESYBGXIDY-UHFFFAOYSA-N	405.841	5.286	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1	915087496	VJXXMZBTRPLHAS-IBGZPJMESA-N	409.258	5.496	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1	915352137	FMEDYTQGQGRGDL-IZZNHLLZSA-N	424.548	5.301	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc(F)ccc2s1	916944817	NVHMNECEEJYDPL-CQSZACIVSA-N	407.253	5.308	30	20	HKED	
C[C@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920143506	XAOFCGLXYXTHBX-XJKSGUPXSA-N	423.950	5.692	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)CSc2nc(-c3cccs3)nc3ccccc23)n1	921249111	PSAPPEHWBOAXCV-AWEZNQCLSA-N	422.560	5.092	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)nc3C)CCC2)cc1	1789456371	RYEMQBYQOXTENB-HXUWFJFHSA-N	421.516	5.045	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)[nH]n1	1819556974	QQRYWAVGYWOJAN-QWFCFKBJSA-N	414.594	5.221	30	20	HKED	
C=C(C)CNC(=S)Nc1ccc(-c2ccc(NC(=S)NCC(=C)C)cc2)cc1	1515766	XDMUXJKXIIIYCN-UHFFFAOYSA-N	410.612	5.079	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(C)c(F)c1	22732205	CZMPMXZPBUZUHS-UHFFFAOYSA-O	413.563	5.405	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccccc2Cl)cc1	23604000	ZZNZVZJGIALEHF-UHFFFAOYSA-O	412.966	5.186	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	31776611	XDBXGFVWUHHWBO-UHFFFAOYSA-N	419.462	5.020	30	20	HKED	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1SCc1ccc(C#N)cc1	47492354	AKNIEDCEUAOPFZ-UHFFFAOYSA-N	417.490	5.031	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	61139447	UQYPTOQUTXIYLU-UHFFFAOYSA-N	416.333	5.190	30	20	HKED	
Cn1ccnc1-c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	71938065	JABAGLZGEZXQNX-UHFFFAOYSA-N	410.502	5.362	30	20	HKED	
C=CCn1c(S[C@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1cccc(C)c1	96946711	PJBMAKAMDRFEPS-NRFANRHFSA-N	420.582	5.141	30	20	HKED	
C=CCN(C(=O)c1cnc(CC)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	115938151	XTXYOJZUJSUKCY-UHFFFAOYSA-N	424.378	5.969	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(N2CCCC2)c1	237454281	MIJDBKVAYGRJCQ-OAQYLSRUSA-N	411.549	5.588	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1-c1nccs1	261371933	WZWOWCCGYYIUJL-CQSZACIVSA-N	412.927	5.304	30	20	HKED	
CC(=O)c1ccc(C#N)cc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	302082064	CLNQTLXAWHZLJB-UHFFFAOYSA-N	403.309	5.253	30	20	HKED	
Cc1cc(C)cc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1	303298037	MCMBALCBAITXQY-OAHLLOKOSA-N	423.567	5.202	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(COCCOc3ccccc3)c2)c1	430055265	YHBZCLHIGXENGD-UHFFFAOYSA-N	418.518	5.150	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc12	430632522	XQAFKQGGDBGTHR-MRXNPFEDSA-N	420.563	5.640	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1F)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	430692682	UVTOKIYXUKFLHP-HNNXBMFYSA-N	421.312	5.077	30	20	HKED	
Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H](CCCC#N)c1ccccc1	431869189	PFYLAYFBAMZNGM-FQEVSTJZSA-N	414.347	5.300	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1	433727787	JMURTPZDCNBYPZ-ZDUSSCGKSA-N	408.807	5.418	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccncc1	435126796	QYIJMQDTXSJUHC-ZWKOTPCHSA-N	407.949	5.136	30	20	HKED	
N#Cc1cccc(C2(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)c1	435175132	ZIANEMGQSRVZKE-QHCPKHFHSA-N	405.501	5.019	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Sc4ccncc4)cc3)cc2)nc1	435376294	QLEZADVGAQYKML-UHFFFAOYSA-N	424.485	5.544	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(CC(F)(F)F)c2)CC1	438562360	HNIJILLZNPHVHG-UHFFFAOYSA-N	417.431	5.175	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC2CCC3(CCOCC3)CC2)cc1	438918408	KQNJDWUMIXVJLL-UHFFFAOYSA-N	420.578	5.320	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2c2cccs2)cnn1-c1cccc(C#N)c1	439686279	YFCIXBNZHRMNLD-HXUWFJFHSA-N	405.527	5.127	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)o1	440594551	IMMDJPQLADKYAZ-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
CC[C@H](C)n1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1-c1ccccc1	443517436	PNZKLOLSOSSZIQ-LBPRGKRZSA-N	403.433	5.353	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)Nc1ccccc1S[C@H](C)CC#N	444903886	ZAKDCZZJPDFULB-CRAIPNDOSA-N	421.488	6.205	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)s2)o1	460473854	VJMUUWDONFHQAX-UHFFFAOYSA-N	409.555	5.345	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1C#N	468966525	MMQVNICTPPRANN-OAHLLOKOSA-N	424.595	5.300	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3c3cccc(C(F)(F)F)c3)o2)cc1	469531235	OJFWNBCDDIONJV-LJQANCHMSA-N	412.415	5.354	30	20	HKED	
C[C@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1	474075304	OAGIRYSYWIVUHR-OYHNWAKOSA-N	424.317	5.489	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C[C@H](CC#N)c3ccccc3)c2)cc1	474902320	YIBKHIPEJBUBHO-QHCPKHFHSA-N	409.489	5.358	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cc2cccc(F)c2o1	475069871	RYKGJTHLUDLUEU-CQSZACIVSA-N	401.397	5.122	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1	476172741	ZJZFMOYLRCLITE-UHFFFAOYSA-N	402.494	5.945	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1ccccc1	476692871	CTEKVCXPCGGRGT-JXFKEZNVSA-N	415.306	5.339	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	477953358	DELNRBMNKZUORJ-QUCCMNQESA-N	412.331	5.315	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CSc1ccc(C#N)cc1)C1CC1	482544306	PSVHRSYFGGLKJK-AWEZNQCLSA-N	404.457	5.421	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1	483617829	COEBXTWQYXANJK-LIRRHRJNSA-N	412.415	5.210	30	20	HKED	
N#Cc1ccc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1F	483948913	BCFPUQWGFUNNCC-UHFFFAOYSA-N	418.447	5.039	30	20	HKED	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	485974318	CTAVIKLBLACCHC-AZUAARDMSA-N	415.537	5.198	30	20	HKED	
N#CCCC[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1	487178220	TVKRDTWAYMLGJT-KRWDZBQOSA-N	411.716	5.577	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCc1ccc(OCc2cccnc2)cc1	488771928	WCRGKPZYACSTRQ-UHFFFAOYSA-N	401.413	5.238	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCc1ccc(F)c(F)c1	489587120	PKLYXIGEVNKZQR-CQSZACIVSA-N	406.523	5.273	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1Cl	494197471	FTGWZQGSPIAVOR-FUHWJXTLSA-N	403.860	5.695	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2F)s1	496345172	LSWINHYSHREITD-CTNGQTDRSA-N	420.513	5.177	30	20	HKED	
C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	500277231	LVWVNOIGKXTBRC-AWEZNQCLSA-N	423.410	5.033	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	500452303	RMASMQJCRXQTTG-QUCCMNQESA-N	422.937	5.848	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc([C@@H]4CCCOC4)c3)n2)cc1	500467841	XWBZOLRGSSASLJ-CTNGQTDRSA-N	418.518	5.203	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1	500749770	NAVWBBORGYQXEW-NRFANRHFSA-N	412.967	5.412	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(COC(C)C)c2)cc1C	502054757	NXFWXCUXJNPBSW-UHFFFAOYSA-N	416.525	5.258	30	20	HKED	
C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	507195937	WBVVEPUEOHTHJP-HXUWFJFHSA-N	423.516	5.561	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1	508668390	XSDMDUJASQGGDU-QRWLVFNGSA-N	411.889	5.293	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1Cl	509725465	BCXSBTJVKVGQPG-JOCHJYFZSA-N	419.887	5.725	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cc2cc3c(ccc4ccccc43)o2)c1C	510216690	OUJSLHNWCLUNIZ-UHFFFAOYSA-N	420.472	5.441	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)cc12	511710679	VOTYJEKAPWRGSJ-SFHVURJKSA-N	424.888	5.183	30	20	HKED	
CCOCCOc1ccc(Br)cc1N[C@@H](C)c1ccc(C#N)cc1F	512289101	QQZQVRFDFSCMOZ-ZDUSSCGKSA-N	407.283	5.048	30	20	HKED	
Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	512339039	POOYTGLKARNYKB-DEOSSOPVSA-N	407.533	5.078	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C2CCC(OC(F)F)CC2)cc1F	513655159	LPIFUPTVXIEBMP-UHFFFAOYSA-N	404.388	5.226	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)sc2C)cc1	513676947	NGUFWOFLSSNKGU-SFHVURJKSA-N	401.491	5.109	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	515460261	XEEQVOCKLJFFQG-UHFFFAOYSA-N	400.906	5.360	30	20	HKED	
COc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1OC(F)F	517841147	IPCHLAGUOBIXHA-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1	518756060	XALDCFYKQITRQY-LZNRXBQRSA-N	409.555	5.370	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccc(Cl)s2)on1)c1cccc(C(F)(F)F)c1	518849284	YTCGHTNKZBKEAJ-GFCCVEGCSA-N	411.792	5.070	30	20	HKED	
COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc(OC)c1C	519434201	RZJPIUIBGNVGTD-UHFFFAOYSA-N	424.444	5.289	30	20	HKED	
CN1CCC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)[C@@H]1c1ccc(C(F)(F)F)cc1	519573430	XAQLBGBLUJWEFD-PTUXOGIPSA-N	413.487	5.237	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCCSCc1ccccc1C#N	521153114	OMLWWQHDFDRSIQ-OAHLLOKOSA-N	421.488	5.213	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCc2ccccc2)CC1	521811191	XARUSUAKWKUGED-GOSISDBHSA-N	409.555	5.294	30	20	HKED	
C[C@@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	525061176	WWWIKRNPIKFJLS-YVEFUNNKSA-N	414.349	5.599	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OC(F)(F)F	537094663	REHCFMAZNCJUHK-UHFFFAOYSA-N	413.355	5.205	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1[C@@H](C)C1CC1	538516962	ZYZKMZFTDBHSGQ-INIZCTEOSA-N	418.472	5.005	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1	539869375	YDGKUTVAONBKRR-MRXNPFEDSA-N	400.507	5.144	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1[C@@H](C)C1CC1	540729478	MJTOCEZHVXTQCF-SFHVURJKSA-N	416.500	5.016	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)cc1	542565178	MJEVTSFDVRGBDT-URXFXBBRSA-N	416.452	5.140	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	546222591	QGBDTSGFWIIVNZ-QGZVFWFLSA-N	405.420	5.298	30	20	HKED	
CCc1nc(C(C)C)ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	555416252	HVFYDLWBFBRDNW-UHFFFAOYSA-N	412.493	5.144	30	20	HKED	
Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1-c1ncco1	573348637	GRSRESANUUSILC-UHFFFAOYSA-N	408.461	5.510	30	20	HKED	
Cc1csc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1C#N	583657909	GMLWMKOWUPZLSC-UHFFFAOYSA-N	418.453	5.400	30	20	HKED	
CCOC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	584441689	ZZRBAOKFKOGLIV-QGZVFWFLSA-N	410.882	5.130	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCSc4ccccc43)cn2)c1	603691395	FWFGNEHUEHMHNR-LJQANCHMSA-N	402.479	5.104	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc(Cl)cc2)cc1	604003896	QJSBUVUHXQUZNQ-UHFFFAOYSA-N	404.897	5.556	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3cc4ccccc4s3)cn2)c1	604444150	YJBZMEBOLSTDIB-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(OCc3cccs3)c2)c1	609067220	XYJHAUJXBYSAJK-UHFFFAOYSA-N	400.406	5.052	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)cc1	609377409	FBCJGUZUHHRFHT-KRWDZBQOSA-N	405.523	5.473	30	20	HKED	
Cc1cc(-c2noc(CCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)ccc1F	609377537	WUMQIGSWMDOIJB-AWEZNQCLSA-N	424.501	5.007	30	20	HKED	
N#CCCn1cc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)c(-c2ccccc2)n1	610910239	XXQAZFFUBSRUGR-UHFFFAOYSA-N	409.493	5.608	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(C)=O)c(SC)c1)c1nc(-c2ccccc2)cs1	612012251	KNIQXPXCFADESC-UHFFFAOYSA-N	423.563	5.323	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H](CC(F)(F)F)c1ccccc1	615819140	WLWLVUICRMTNIR-QGZVFWFLSA-N	414.349	5.050	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c3c(cccc13)CC2)c1nc(-c2c(F)cccc2F)cs1	620304530	JPPBKJWIHDQSPK-KRWDZBQOSA-N	416.452	5.830	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622477961	QQEWVBDPKALEMI-YVEFUNNKSA-N	421.356	5.833	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1)c1ccccc1	676422239	OCZBDEPYYYEDBG-GOSISDBHSA-N	404.457	5.146	30	20	HKED	
N#CCCCOc1cccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	726743344	DLYOIMPEOFRIEW-KHPPLWFESA-N	418.474	5.902	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3sccc3C2=O)cs1	726892528	MUNFWNRBWYRFFW-JLHYYAGUSA-N	414.939	5.755	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccccc2)cs1	728765768	QVAARLOJFHGSAL-IRXDYDNUSA-N	400.425	5.723	30	20	HKED	
Cc1cc(COc2ccc(/C=C/C(=O)c3cc4ccccc4o3)cc2)oc1C(=O)O	729937416	QZHISIIREJRGDY-DHZHZOJOSA-N	402.402	5.508	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cc1	731192785	NXKXPKKIRBAXNY-JYRVWZFOSA-N	405.885	5.247	30	20	HKED	
CCCN(C(=O)/C=C\c1ccccc1C#N)[C@H](c1cccnc1)c1ccc(F)cc1F	732096158	DHPPUGLDZMUUTP-CNPINADKSA-N	417.459	5.273	30	20	HKED	
Cc1ccc(-c2nc(COC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cs2)o1	732401615	IPZFEWGAFZRMLD-UHFFFAOYSA-N	417.446	5.128	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	732494834	OIDCWVKGDIUXCY-CXAGYDPISA-N	420.506	5.077	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=S)Nc2ccccc2Oc2ccccc2)c1	733754617	IXLJIFHZJBLLDQ-LJQANCHMSA-N	417.534	5.646	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1	733807310	UPRJARGJANRVRG-WMLDXEAASA-N	420.340	5.577	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1nc(-c2ccc(Cl)cc2)cs1	734706691	RPODNZHUCPRTAO-KRWDZBQOSA-N	409.873	5.503	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccc(F)cc3F)C3CC3)c2)s1	740482994	KIJGGPYRFFLVMJ-UHFFFAOYSA-N	423.488	5.439	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@@H](OCC)C12CCCCC2	741508347	CQOXLDSRJPGJCH-WOJBJXKFSA-N	420.022	5.748	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cnc(-c4ccccc4)[nH]3)c12	742431293	GUFUPSCVSMTBQY-BUHFOSPRSA-N	407.477	5.070	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	744061477	LHFBQWLYYMIMEB-QRWLVFNGSA-N	403.482	5.266	30	20	HKED	
COc1sc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1Br	746521094	DBRDOKYBARUYIY-MDWZMJQESA-N	423.357	5.028	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(C#N)s4)nc(O)c23)cc1	748997783	HFXMUNRBKVIDSD-PXNMLYILSA-N	409.923	6.042	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccc2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1	749006177	SFSBWZUTTOBMGW-NTCAYCPXSA-N	423.559	5.423	30	20	HKED	
CCc1ccccc1NC(=S)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	751014833	SDHVAYFHHIZZOB-UHFFFAOYSA-N	403.507	5.730	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)c1	751825836	CILTUFVEWULLPQ-SFHVURJKSA-N	423.925	5.026	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CCC(F)(F)F)cc2)cc1	752476892	FGSXAYZUAVVPBQ-FOIQADDNSA-N	416.443	5.656	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cnoc3-c3ccco3)cc2Cl)c1	753902473	PLCMVCFJZLYPPJ-UHFFFAOYSA-N	405.841	5.651	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1OCC#N	761662184	AXJAPEVDIFEHJJ-GOSISDBHSA-N	403.457	5.523	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2cc(C)ccc2C)ccc1OC	762296135	YCSYFXDCHVXSIQ-UNMCSNQZSA-N	421.541	5.040	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc2ccsc12	767961720	ZSHOAKIVYDRPEJ-IBGZPJMESA-N	412.470	5.655	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F	768902678	LLSPZBWQBXPKJM-RDJZCZTQSA-N	421.394	5.205	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2csc(-c3ccsc3)n2)c2ccccc21	769545400	UVUUCFUFRFCKOR-UHFFFAOYSA-N	407.520	5.487	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1	770524958	WFSGSSBCTDTCAQ-UHFFFAOYSA-N	417.513	5.423	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771097554	JRRPUHZNLLPOLY-FKVRIVCVSA-N	418.468	5.127	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1Cl	772592916	IIUGDLROTXQFOF-RBBKRZOGSA-N	408.860	5.197	30	20	HKED	
CC(C)(C)C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(F)cc1	775140166	YJHPZMIUYKNDFU-PZJWPPBQSA-N	416.500	5.130	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(SCC(F)F)cc1	777117962	PTFWFVYGYIDWQI-HNNXBMFYSA-N	417.525	5.050	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC2CCC2)c2ccccc2)ccc1OC	779350883	GZEYNFUTXLADJM-VXKWHMMOSA-N	421.541	5.107	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cs2)cc1	780149472	PQRWFLUBVQPPQG-HNNXBMFYSA-N	407.495	5.142	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	780164658	NIXQRAVQNJPOAA-QRQCRPRQSA-N	424.472	5.728	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1	780668944	GGPHPJDGMUVGBP-ZWKOTPCHSA-N	405.523	5.834	30	20	HKED	
N#CCC1CCN(C(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)CC1	782133180	WZABAFXZFKUYRF-UHFFFAOYSA-N	405.501	5.821	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(C(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	790766779	GGNRNARWKVUYJR-INIZCTEOSA-N	402.853	5.820	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)cc1	795205995	TVMLGDPYGKWMJQ-SFTDATJTSA-N	410.395	5.033	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc(C)c(-c2ccccc2)s1	796618806	HQVDDSPZKNDXCE-UHFFFAOYSA-N	409.559	5.506	30	20	HKED	
N#CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	796634118	RBCUQIAPKDUISS-RBBKRZOGSA-N	423.472	5.214	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1	796738575	CVWABICXQXIMNX-RXVVDRJESA-N	413.901	5.029	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C	798053932	BBIKGJQBLQIGCF-UHFFFAOYSA-N	401.422	5.090	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1	798815841	BGDFGGHIJRDEHF-DYVFJYSZSA-N	400.425	5.809	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)OC2)c1ccc(C(F)(F)F)cc1	808895480	MNTBZGXDOVRDMT-SFHVURJKSA-N	404.388	5.205	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(OC(F)(F)F)cc1	813213636	KFLPCZIINZKUKI-CQSZACIVSA-N	416.321	5.153	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915087299	RZCLXOOPKCETRX-FTJBHMTQSA-N	421.500	5.245	30	20	HKED	
C=CCN(C(=O)c1nc(-c2cccs2)oc1C)c1nc(-c2ccccc2)cs1	915814515	VXFREKHFHWSMLR-UHFFFAOYSA-N	407.520	5.668	30	20	HKED	
CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc1[N+](=O)[O-]	916151742	AONMTRHQVARHSU-RIYZIHGNSA-N	413.433	5.161	30	20	HKED	
Sc1nnc([C@H]2CCCO2)n1N=Cc1c2ccccc2c(Cl)c2ccccc12	916368057	VTUFANSLZPJWAZ-GOSISDBHSA-N	408.914	5.260	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cc1	916882671	JHXBQGHXUKYUAG-SINXNMPMSA-N	424.884	5.568	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SC(F)F)cc2)cc1	916914292	KDMAKOZJVUOJTM-SFHVURJKSA-N	402.466	5.305	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccs3)n2)cc1	916951589	ZDZBNYDLFORMSF-XJKSGUPXSA-N	409.536	5.346	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc(-c2ccccc2)cs1	917025834	QIRAPWMNTARQRR-NRFANRHFSA-N	414.530	5.528	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cnc2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1	917043743	OGYDLVYKIVIDQP-PSKZRQQASA-N	424.407	5.148	30	20	HKED	
N#CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c1	917501825	QQXCSAWPKIUPKH-NRFANRHFSA-N	407.832	5.153	30	20	HKED	
CCCOc1cccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1	917538756	OCHRRMBWSROKEQ-UHFFFAOYSA-N	403.507	5.104	30	20	HKED	
N#CCOc1ccccc1C(=O)NCCCN1c2ccccc2Sc2ccccc21	919812400	BJEQMCTYNKIATJ-UHFFFAOYSA-N	415.518	5.012	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	920102119	PKPVCVYWFKPXEQ-SFHVURJKSA-N	417.465	5.029	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)n2)cc1	920143804	SWEGJFQUVSNDCY-KOAYOYMMSA-N	420.578	5.992	30	20	HKED	
Cc1ccc(OCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)c1	920806773	POVLNTCAOZAZQO-HNNXBMFYSA-N	412.461	5.351	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1Cl	920819504	QFXVDBYDRFRORN-NFBKMPQASA-N	415.880	5.452	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1	1789049254	HXNISKPUNZUXSG-KRWDZBQOSA-N	402.494	5.393	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1828829570	DTSAUELXJXZPNZ-PKTZIBPZSA-N	414.634	5.345	30	20	HKED	
C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCCCCCCCc2ccccc2)C1	1847226811	NBDVPBDODUUHAI-DQEYMECFSA-N	422.613	5.128	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)s1	22730100	JUOOUOMZAOHMFL-UHFFFAOYSA-O	409.600	5.692	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(C(CC)CC)cc1	22798442	WBNMGDYUEORARH-UHFFFAOYSA-O	415.648	5.661	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccoc1C	29382818	NQBHWWNEEKKBKE-UHFFFAOYSA-N	413.890	5.028	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1	48857930	ODMVFBJAAXVEGF-HSZRJFAPSA-N	403.441	5.176	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1OCC	60488205	XYSUVMNRNNKUST-OAHLLOKOSA-N	411.889	5.284	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	64715363	LLYMEGLFTXQZBK-HNNXBMFYSA-N	414.502	6.079	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1	195630596	DOIOKAZZCNGTLX-UHFFFAOYSA-N	421.884	5.062	30	20	HKED	
N#CC1(c2ccccc2)C/C(=C/c2cccc(O)c2)C(=O)/C(=C\c2cccc(O)c2)C1	208140657	PLPPWRDABORKAO-HDSGJDLKSA-N	407.469	5.389	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](c2ccccc2)c2nccs2)c1	237839887	IBLUELCTVVVJAB-DEOSSOPVSA-N	411.530	5.473	30	20	HKED	
C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	303683508	NDVCNMDTYOCXLF-VIFPVBQESA-N	422.291	5.293	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	409527805	IFSBSTZJDNUFQE-FYYLOGMGSA-N	414.461	5.110	30	20	HKED	
Cc1nc(CCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1	426168967	WXAPHLWTRJVZGO-HXUWFJFHSA-N	409.942	5.722	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)cc3Cl)c12	430366306	IEEJVSWCVJWREM-UHFFFAOYSA-N	407.905	5.150	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2SCc2cscn2)s1	430611700	POZOZSOMDLHBHP-OAHLLOKOSA-N	413.593	5.679	30	20	HKED	
C[C@H]1CCCCN1Cc1ccccc1CNC(=O)N[C@H](CCCC#N)c1ccccc1	431808465	BTVCQNFOLZLQOG-SQJMNOBHSA-N	418.585	5.295	30	20	HKED	
Cc1ccc([C@@H](NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c2cccs2)cc1	433029473	SBRVTSDXXVEWSX-WIOPSUGQSA-N	417.578	5.287	30	20	HKED	
N#C[C@H](C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	434617232	SHVLRXBSYDLYAX-RTBURBONSA-N	424.909	5.121	30	20	HKED	
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	435104695	SAECEARILQOALW-DRMXPCRNSA-N	403.526	5.517	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1	436349911	DYGMMKDVYUVIJE-XAYKYTGQSA-N	403.910	5.408	30	20	HKED	
CN(CCc1cccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	437736037	MBLBBNSCINENEN-UHFFFAOYSA-N	405.523	5.100	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C	438901209	ORGQEKNRJHLFEX-UHFFFAOYSA-N	401.422	5.057	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@H](C#N)c1ccccc1F	439086521	PFHAQLLYTGTARS-MRXNPFEDSA-N	404.228	5.091	30	20	HKED	
O=C(COc1ccc(C(F)(F)F)cc1F)Nc1ccc(Cl)cc1C(F)(F)F	439282482	XVJGVENRCOVQJA-UHFFFAOYSA-N	415.692	5.534	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	439491421	KETNIHPUVBCTRK-WFBMQCHUSA-N	419.525	5.144	30	20	HKED	
CSc1nc(O)c(C(=O)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)cc1C#N	439731880	ZYYWYBOGLBKFAB-OAQYLSRUSA-N	423.582	5.556	30	20	HKED	
CCCc1c(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cnn1-c1cccc(C#N)c1	440073546	FBGAQPSXRDPEJQ-UHFFFAOYSA-N	418.545	5.024	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(Br)cc1Cl	440577961	DAHARJOWWCXSLY-NSHDSACASA-N	424.751	6.141	30	20	HKED	
Cc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)c1C#N	442061419	IVRNOXNRIHFZIW-KRWDZBQOSA-N	415.518	5.297	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1	442103234	PDNBDKWFGPMQKB-KKSFZXQISA-N	423.944	5.019	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nc2ccccc2s1	442619802	UZFFUHFPTIPCHO-OAHLLOKOSA-N	408.404	5.871	30	20	HKED	
CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1ccc(Cl)cc1)C(F)(F)F	448194164	RIFCRFVZQLKXBX-GOSISDBHSA-N	419.790	5.242	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cc2c(s1)CCOC2	460150858	OCSJNKBQDDUHNN-UHFFFAOYSA-N	408.910	5.193	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1	460336626	CUUWZCBTDQFQLB-KRWDZBQOSA-N	415.880	5.084	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccsc1	460373009	CVWINZAQKPLTPV-APWZRJJASA-N	412.534	5.536	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	463653870	CMLIXTDVWNGQKC-MRXNPFEDSA-N	402.425	5.337	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3cccc(C(F)F)c3)c2)cc1	468270270	LVKFNOVYZPGKRQ-UHFFFAOYSA-N	406.432	5.450	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)s2)o1	470771140	CTXLSPWKHPJKHK-UHFFFAOYSA-N	419.506	5.152	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccccc1	471322670	RYYJAWXLDIWXMR-INIZCTEOSA-N	415.881	5.164	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cccc(CSC(C)C)c3C)C2)n1	471412601	SGAYLYAUBQGXKZ-FQEVSTJZSA-N	422.598	5.067	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	472443979	YBUVBQSMMQPUSH-UNMCSNQZSA-N	414.461	5.110	30	20	HKED	
COc1cccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1F	474266682	QKJPYGVSALPVLB-ZDUSSCGKSA-N	409.301	5.277	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1Cl	474976768	ZFBDZAMVQJBIKW-QGZVFWFLSA-N	411.933	5.284	30	20	HKED	
Cc1ccc([C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccccn2)cc1	475336188	JLWHNIRPNBKCKJ-MUUNZHRXSA-N	419.528	5.720	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C1CC1	477236898	UASYZIUCUDZGSV-QGZVFWFLSA-N	414.509	5.842	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)o1	477609116	YMWPLEFIHWTRFD-UHFFFAOYSA-N	410.477	5.593	30	20	HKED	
C=C(C)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)c(F)c1	479389921	IEUCSUZIDKBNKX-IBGZPJMESA-N	401.438	5.404	30	20	HKED	
C=CCOCCCSCc1nc(O)c2c(-c3ccc(C)cc3)c(C)sc2n1	479623703	ZXECFFMVQOALBZ-UHFFFAOYSA-N	400.569	5.507	30	20	HKED	
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(Cl)cc1C#N	480863492	FTKDVYJMJUSDAL-UHFFFAOYSA-N	401.297	5.326	30	20	HKED	
C=C(C)[C@H](NCc1csc(N(C(C)=O)c2ccccc2)n1)c1ccc(F)c(F)c1	481577436	YSZTZKOEYCOVNI-NRFANRHFSA-N	413.493	5.513	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482396214	LGQXZIQDPJTICW-GOSISDBHSA-N	411.374	5.060	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)cc1	483435677	HKFUCDIZNPLJAT-BJKOFHAPSA-N	416.452	5.140	30	20	HKED	
CC(C)C[C@@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccccc1	486452941	SSDKQDCBPLGPOJ-JOCHJYFZSA-N	414.509	5.061	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCc3sc(C)nc32)cc1	486540751	PLXPBGNRORCTRS-SFHVURJKSA-N	419.506	5.183	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCc1cc(F)ccc1Br)c1ccccc1	487214472	ZILQLRBOXQXAQS-LJQANCHMSA-N	403.295	5.072	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1C	488879589	KTHYFRFQTLTTSV-UHFFFAOYSA-N	415.465	5.016	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccc(CC#N)cc1	492354626	PTBHFSBTHOOUEX-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	494867627	FJVGVWBLTUUZMB-UHFFFAOYSA-N	413.120	5.481	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)c1ccccc1	498253524	RAIIKZNOGJCGLL-SFTDATJTSA-N	416.468	5.078	30	20	HKED	
CC(C)c1nc(C(=O)[C@H](C#N)c2nc3ccccc3s2)nn1-c1ccccc1Cl	499184280	FMQYGFRZQFRKAO-ZDUSSCGKSA-N	421.913	5.144	30	20	HKED	
N#Cc1ccc(C2=CCN(Cc3nc(O)c4cc(-c5ccccc5)sc4n3)CC2)cc1	502531432	VLZNPBCYALVADH-UHFFFAOYSA-N	424.529	5.225	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)nn1CCC#N	504251045	AMOBWVREBJAXHQ-UHFFFAOYSA-N	417.271	5.470	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2	504449435	RZIMKRAUMFSSCD-XMMPIXPASA-N	418.562	5.560	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1	505240986	VSLYXNMBMVTKQC-AWEZNQCLSA-N	408.951	5.268	30	20	HKED	
C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1	507646825	LRIWVZZHIBOZMR-DBXWQHBBSA-N	421.566	5.019	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1	508086699	JJVVQZFVFYUHCC-QGZVFWFLSA-N	415.335	5.246	30	20	HKED	
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cn(CCCC#N)c2ccccc12	508687304	CPKARMMSODWXAJ-UHFFFAOYSA-N	417.900	5.345	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1	512843308	GDJZGEVNDIBGJE-UHFFFAOYSA-N	414.490	5.123	30	20	HKED	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc(COc2ccccc2C#N)c1	513299401	DUPZSUXCMKJCEV-MRXNPFEDSA-N	404.432	5.186	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc2ccccc2[nH]1	513672739	USDNWZKJZPKJBA-GOSISDBHSA-N	421.378	5.864	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1	517355617	TVQTYPXFRDOXTN-UHFFFAOYSA-N	403.457	5.361	30	20	HKED	
CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OCC	517800766	GQGMZVHLTMZTAA-GOSISDBHSA-N	422.506	5.106	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)CC1	518004306	FIRJOPKNZPZFCY-FQEVSTJZSA-N	407.558	5.297	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)c1cccc(C(F)(F)F)c1	518320722	XPCYAIRUJUUURL-LJQANCHMSA-N	416.424	5.341	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	518373349	SWRVDFHDNBKWQZ-LJQANCHMSA-N	416.546	5.699	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(OCc3ccccc3Cl)cc2)CC1	518513616	HLIKGVXHSSYJGQ-UHFFFAOYSA-N	413.949	5.081	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12	519734152	YCUMTSYGXRLBRQ-QFZRFWILSA-N	415.537	5.026	30	20	HKED	
CCOc1ccccc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N	520834012	QPKCDQBCBLSLFD-MRXNPFEDSA-N	400.569	5.209	30	20	HKED	
CSc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-]	520915877	CUBIBDKNHOZGPZ-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1	521326710	CZKYVDMCMHJCGS-GOSISDBHSA-N	418.587	6.625	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1	521377300	DAZFAKXDUVJNLY-UHFFFAOYSA-N	404.297	5.377	30	20	HKED	
CC(C)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1	521555533	LFRPLKLEDHWEMX-GFCCVEGCSA-N	416.978	5.590	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	524679998	DRCLYMGOLVXWSS-RPWUZVMVSA-N	419.484	5.949	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)cc2)c1	531505722	NFRREGHPTSAMTQ-UHFFFAOYSA-N	420.415	5.017	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)ccc1Cl	537581654	ARHACTAZTXRIPC-UHFFFAOYSA-N	407.307	5.120	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1	539338653	YYIQYPLBEMULGD-DHIUTWEWSA-N	402.881	5.139	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	541279546	XAVFNKLMYDENSC-UHFFFAOYSA-N	414.509	5.400	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)N2CCC(CC#N)CC2)c2cccc(Cl)c2)cc1	541945737	VRZLMOYKAGEOBU-JOCHJYFZSA-N	411.933	5.163	30	20	HKED	
C[C@H](CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nccs1	543378122	GUVHBTQEUPVTKC-MRXNPFEDSA-N	407.564	5.183	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)c2)c1	551105316	AMTBXMGFDSQJAD-RTWAWAEBSA-N	415.880	5.206	30	20	HKED	
N#CCCN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccc(F)cc1	554283830	ZBNCFJQQNMVBTM-UHFFFAOYSA-N	416.424	5.716	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	560549444	XOQGEQNERNLEMX-UHFFFAOYSA-N	423.532	5.176	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C1CC1	564441073	KWIITTBHPVGZCR-HNNXBMFYSA-N	416.485	5.434	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Oc2cccnc2)cc1	574078660	VDEKRGBSRJUMNQ-UHFFFAOYSA-N	423.497	6.149	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC=C(c2ccncc2)C1	574781082	KQIDJWBWTPIBRR-UHFFFAOYSA-N	410.477	5.375	30	20	HKED	
Cc1ccc([C@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	577919642	IXQOUQISVQCRJZ-HXUWFJFHSA-N	413.521	5.565	30	20	HKED	
COc1ccc(Br)cc1CNc1ccc(Oc2ccnc(C#N)c2)cc1	583841600	CIUHLZYMNTUNGZ-UHFFFAOYSA-N	410.271	5.129	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4ccc(NC(=O)Nc5ccccc5)cc4)no3)CC2)cc1	589082479	AVBYIHCRONEARD-UHFFFAOYSA-N	421.460	5.332	30	20	HKED	
N#Cc1c[nH]c2c(F)ccc(Cl)c2c1=NCc1cccc(COCc2ccco2)c1	603854858	PKDRGEQJSOMJBN-UHFFFAOYSA-N	421.859	5.243	30	20	HKED	
N#CCCCOc1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1	603971044	BDIPFMHNOYKVTE-UHFFFAOYSA-N	413.688	5.347	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OC4CCCCC4)CC3)cn2)cc1	604522915	WDDLAPUENZPSHN-UHFFFAOYSA-N	420.513	5.091	30	20	HKED	
Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609064691	DPCJRVCRJYEWGA-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1ccccc1-n1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2c1CCC2	609376463	CDYUISJFSGAQKM-INIZCTEOSA-N	416.550	5.174	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1SCCC#N)c1ccc(Cl)cc1Cl	609385838	OIJVIBQJELSYRH-ZDUSSCGKSA-N	408.354	5.288	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2cccc(F)c2)CC1	609644106	VYDBSZXTXHLSFP-UHFFFAOYSA-N	400.453	5.255	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)c1nnc(-c2cccc(Cl)c2)o1	609782892	QMRDPDDSSGPXHW-CQSZACIVSA-N	418.909	6.177	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)c2)c1	610171288	GNSBQVUAZMQZPB-IRLDBZIGSA-N	404.416	5.158	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(c4c(C#N)cnc5c(F)ccc(F)c45)CC3)c2c1	610274029	AQSAIVQYCHRCQD-UHFFFAOYSA-N	418.447	5.259	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	610331127	FSTKYJHJIPIQMO-UHFFFAOYSA-N	401.310	5.260	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccccc3Cl)cn2)cc1	610666060	NKAJFEJOXOGYRP-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CCc1c(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1C(CC)CC	616761980	WJDFROAXLMYKHY-UHFFFAOYSA-N	418.501	5.510	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1	619579381	ZWBCLIJKPQITHE-DUPGQGGVSA-N	418.537	5.142	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1Cl	619780079	CLJJOMVSIWVCMW-IAGOWNOFSA-N	407.926	5.188	30	20	HKED	
C[C@]1(C#N)CCCN(c2nnc(-c3cccc4ccccc34)n2Cc2cccs2)C1	619855092	OQWYJXPHEYGGMZ-XMMPIXPASA-N	413.550	5.338	30	20	HKED	
Fc1cccnc1-n1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	677520743	DMJGGEQUPQYOML-UHFFFAOYSA-N	404.289	5.056	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(Br)c1)c1nc2cc(Cl)ccc2s1	726322934	RLNYBXZGJVNBNP-ZDUSSCGKSA-N	405.704	5.131	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)sc1-c1ccc(F)cc1	726732849	LHNCPHRIUJFLOS-KRWDZBQOSA-N	412.873	5.477	30	20	HKED	
CCOc1cccc(C=Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c1O	727972916	LFQKJIWQHREOOV-UHFFFAOYSA-N	422.447	5.176	30	20	HKED	
COc1ccc(-c2csc(=Nc3cccc(NC(C)=O)c3)n2CCCCC#N)cc1	728776269	NYEZLNBTEKQVAD-UHFFFAOYSA-N	420.538	5.110	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1Cl	729319239	IRBODIAJXIQNPY-IBGZPJMESA-N	413.864	5.089	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN(C)Cc2ccc(F)cc2Cl)c1=S	730451209	GXGRNJQSCZHTMW-UHFFFAOYSA-N	416.953	5.073	30	20	HKED	
O=C(/C=C/c1ccc(Oc2cc(F)cc(F)c2)cc1)c1ccc(C(F)(F)F)nc1O	731564787	TXHTVZKEGBWYQO-XVNBXDOJSA-N	421.321	5.773	30	20	HKED	
COc1cc(/C=C/C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc(Cl)c1O	731565108	DZTMKIPXUYWEHL-VOTSOKGWSA-N	403.265	5.098	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(Oc3ccncc3)c2)c(C)n1-c1ccc(C#N)cc1	732661252	DJUANRCTHMAFSA-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
O=C(CSC(F)(F)F)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	733234418	VRKYBPWEDSEJCM-UHFFFAOYSA-N	414.302	5.223	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)CCC(=O)c1ccc2ccccc2c1	735335563	XOCXRTJJEBFEGY-UHFFFAOYSA-N	407.853	5.102	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	739143606	RQXWGNVMNXMFHS-UGSOOPFHSA-N	412.411	5.266	30	20	HKED	
C=C(C)COc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC	740014664	UNOBRVAXOAHVDY-UHFFFAOYSA-N	404.535	5.540	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740060883	YKUHODPSBDDYCC-INIZCTEOSA-N	415.518	5.936	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21	741196022	VDJWJQNHTAKMFM-QRWLVFNGSA-N	404.491	5.070	30	20	HKED	
CN1CCCc2cc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc21	746763384	IIMIBRXQGMFIAK-DEOSSOPVSA-N	410.521	5.046	30	20	HKED	
CCN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12	752816768	XGDOSCWIOJSDNW-UHFFFAOYSA-N	408.299	5.040	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NCc2cc(C#N)ccc2Br)cc1	754886508	XCCGQNILNLVUTP-UHFFFAOYSA-N	402.292	5.280	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)Cc2cccc(OCC#N)c2)oc1-c1ccc(Cl)cc1	760632768	MJIDACMFRAJQRK-OAHLLOKOSA-N	410.857	5.053	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)c1nc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)no1	762290943	WCSSCBCUYQNCFO-HNNXBMFYSA-N	420.469	5.019	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2csc(-c3ccco3)n2)cc1	764047768	BTLZBWQTWJMANO-HXUWFJFHSA-N	414.490	5.380	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	771852239	YUQMLLPSOTZZTR-QPEQYQDCSA-N	408.367	5.227	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OC	772986611	PEVGMVTVECISHF-KDOFPFPSSA-N	405.325	5.460	30	20	HKED	
N#CC1(COC(=O)c2oc3ccccc3c2CSC2CCCCC2)CCOCC1	780539388	WWSGHHVWHKBKCC-UHFFFAOYSA-N	413.539	5.476	30	20	HKED	
COc1cccc(-c2nc(/C=C\C(=O)c3ccc([N+](=O)[O-])cc3Cl)cs2)c1	782188035	HDNAVPXJBMVNPN-YVMONPNESA-N	400.843	5.276	30	20	HKED	
Cc1cccnc1C(F)(F)C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783928737	ROPBXEFGNVBNRQ-ZDUSSCGKSA-N	413.264	5.347	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(-c3ccccc3OC)cc2)c2ncc[nH]2)c1	787168287	HEJPYZFJJGGFAL-KQWNVCNZSA-N	410.473	5.517	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cnn(C(C)(C)C)c2C)cs1	787186829	OAMLMCVSZIDIFL-XFXZXTDPSA-N	422.554	5.292	30	20	HKED	
CCCCc1ccc(NC(=S)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	787196854	KGZGWCMQZSILGW-UHFFFAOYSA-N	420.582	5.421	30	20	HKED	
Cc1c(C(=O)/C=C\c2cnc(-c3ccc(Cl)cc3)s2)cnn1-c1ccccn1	789143266	PJVDDEWAVDRSLZ-KTKRTIGZSA-N	406.898	5.249	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1nccc2ccccc12	792092795	DVLXHVGACRVRNJ-GUYCJALGSA-N	411.274	5.191	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@@H](C#N)c1nccc2ccccc12	792099746	JDYSIWPKHPDBPF-IBGZPJMESA-N	413.546	6.070	30	20	HKED	
CCCOc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)c(OC2CCCC2)c1	792538244	DLUJRUMQWVDFQT-UHFFFAOYSA-N	412.461	5.091	30	20	HKED	
C[C@H](Oc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	796649273	FMKWMKHSZPFBDZ-KSSFIOAISA-N	405.404	5.228	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C/c2ccc(-c3ccncc3)cc2F)C(=O)c2ccccc21	802707010	CNVDJCJBYSDCSN-QUYTYNJFSA-N	401.437	5.204	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)ccc1OC	806806966	RPQWGQPAACTNTJ-BWAGFHJFSA-N	421.541	5.059	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1cc(C(F)(F)F)ccn1	813217547	MKVCVCRURABHJT-RRROIERXSA-N	418.724	5.662	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc(Cl)c(C#N)s1	813369661	PPUMVCWKWJNXQE-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1Cl	814302477	FQIYEQPBCHAAKO-MRXNPFEDSA-N	400.906	5.102	30	20	HKED	
Brc1ccc(-c2ccc(C=Nn3cnnc3-c3ccccc3)s2)cc1	863967843	ZNULCNCORJARJV-UHFFFAOYSA-N	409.312	5.318	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1F	901377868	ARVWQWJKLNOZMX-UHFFFAOYSA-N	413.276	5.149	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1F	916135934	ZFVWUVPMFQHECC-TWGQIWQCSA-N	416.202	5.653	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916627947	FFGNGGWNRKDDCW-SFHVURJKSA-N	421.909	5.080	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COc1ccccc1Cc1ccccc1	920105889	HPZSJZJTBNBDEQ-JOCHJYFZSA-N	422.484	5.038	30	20	HKED	
CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1	1786259089	HVLKZLSMBRCYGC-OALUTQOASA-N	417.553	5.498	30	20	HKED	
N#CCC(=O)Nc1ccc(C2(NC(=O)c3sc4ccccc4c3Cl)CCC2)cc1	1787648919	UCOKHUNGYGLKIR-UHFFFAOYSA-N	423.925	5.216	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)s2)[nH]n1	1819553446	HVHGETUKEJTCOV-KRWDZBQOSA-N	414.575	5.078	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1824140723	GQEHAPMJOMIDCW-VWLOTQADSA-N	422.613	5.007	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1829067079	BRIFIJWEXQNLSS-DEOSSOPVSA-N	424.629	5.231	30	20	HKED	
Cc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccccc2C(C)C)cc1	15234318	KENHBUSYPKQGIH-IBGZPJMESA-N	415.566	5.902	30	20	HKED	
C[C@@H](Cc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)o1)c1ccccc1	23453976	ROHMXESLJXTPLY-SFHVURJKSA-N	411.530	6.247	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1	24707466	BTWNSOYQRVVVBZ-NRFANRHFSA-N	414.534	5.430	30	20	HKED	
COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2C2CCCCC2)cc1	24710998	NLZVGYLEHIDWBO-UHFFFAOYSA-N	404.539	5.623	30	20	HKED	
C=CCN(C(=O)C1CCOCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	60667685	OQSJTEXEJGMCHY-UHFFFAOYSA-N	404.535	5.423	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1coc(-c2ccc(Br)cc2)n1	63388163	FBVNUMJCIVLUFB-UHFFFAOYSA-N	408.299	5.164	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	108373911	FMIXUKOOTGEJDF-QGZVFWFLSA-N	420.896	5.391	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)C(C)C)cc1	302631686	CGACTRFVYQQTNU-GYCJOSAFSA-N	407.558	5.235	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccccc1	432793115	OGJCPQMJHWONQQ-HSZRJFAPSA-N	400.482	5.217	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1	435739709	HIFAVIBWIVCKBD-INIZCTEOSA-N	419.435	5.231	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CC)Cc2cccc(-c3ccncc3)c2)c1	438125630	IQOPQSXYZNBMCT-UHFFFAOYSA-N	401.510	5.758	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@@H]3C)o2)cnn1-c1cccc(C#N)c1	440072664	NXCPSVZBQAZTAN-MVJPYGJCSA-N	414.509	5.155	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1N[C@H]1CCO[C@H](c2ccccc2)C1	440681628	UGVVQFAEXNZWFS-LPHOPBHVSA-N	408.299	5.201	30	20	HKED	
C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1cccc(C#N)c1	442915581	XJVXLKDODWFFTB-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccn1	443516291	FXGJRJJYBGKISV-AWEZNQCLSA-N	423.929	5.688	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(F)c(Br)c1	443852947	HPCMZXBCWFJDLK-UHFFFAOYSA-N	401.260	5.441	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C	446000394	BXVARMFZJCJHEI-SOVGHPHASA-N	419.447	5.040	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2ccco2)cc1F	447981432	YSUQMLNPJSINCR-OAHLLOKOSA-N	409.486	5.802	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C[C@H](Cc1ccccc1)c1ccccc1	460175663	SLUYHZHQVWMQJJ-QFIPXVFZSA-N	400.547	6.047	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2cccc(-c3cccnc3)c2)c1	463750492	QEVVNJFPIAKQCA-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)cc1	464423003	YBYCWVOUTYZADO-HXUWFJFHSA-N	421.378	5.449	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1cnc2ccccc2c1	470877736	NVPFBBDGPUWBSF-UHFFFAOYSA-N	421.500	5.565	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nc[nH]n3)cc2)cc1Cl	473708172	BHQQWLMKAGUZES-FQEVSTJZSA-N	413.868	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1noc(C)n1)c1ccccc1OC	475570118	RUUOKRWOXJHOHW-JOCHJYFZSA-N	420.513	5.150	30	20	HKED	
CCN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H](C)c1cccc(OC)c1	479167037	PANUROUSKNTAFQ-OSFYOIPJSA-N	421.541	5.050	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2nc(C)ccc2c1	479405677	HVXFYTOGDJTOIQ-QGZVFWFLSA-N	405.523	5.263	30	20	HKED	
COCCNc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	480815344	FZLSSOVKZYAMRH-UHFFFAOYSA-N	403.507	5.020	30	20	HKED	
C=C(C)Cn1c(SCc2c(C)cc(C)c(C(C)=O)c2C)nnc1-c1ccncc1	481342733	IPJVKQBXDYWPOP-UHFFFAOYSA-N	406.555	5.336	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3c(Cl)ccc4c3CCO4)cc2)cc1	484596395	QPYWGDAKNKEJOH-UHFFFAOYSA-N	404.853	5.386	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN(C(=O)c4sc5ccc(C#N)cc5c4C)C3)[nH]c2c1	486948438	YXZYELZGGIVIGL-QGZVFWFLSA-N	414.534	5.286	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(C)sc2-c2ccccc2)cc1	487644544	IQCUXIRAYPOAMZ-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
C=CC[C@H](C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl)c1ccccc1	488990592	WKDWFKCIJVNPGK-NRFANRHFSA-N	418.924	5.915	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1	494746309	OXMORKCKYAGFQI-HNNXBMFYSA-N	424.957	5.594	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2CCCC2(C#N)CCOCC2)c1	499625425	LWCMMGZHPFVHGE-RPBOFIJWSA-N	404.554	5.326	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC	500736967	ACDRTORZJHYIDR-UHFFFAOYSA-N	416.477	5.248	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1	501140016	CZYXXDKXGPRNPV-UHFFFAOYSA-N	407.445	5.200	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCC)cc1	502613659	HXKZMTZTIXJBAB-UHFFFAOYSA-N	422.407	5.056	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1c(Cl)cccc1Cl	505513302	NDOWVQQQICDTRB-CYBMUJFWSA-N	408.335	5.102	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)n1	506000608	CDQRLRZVELMLCE-CQSZACIVSA-N	420.494	5.676	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510172764	NQYJFNUBKKHMHZ-CQSZACIVSA-N	423.925	5.402	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H](c2cccc3ccccc23)C(F)(F)F)c1	511707101	LRBYHBLFHJWKHO-LJQANCHMSA-N	400.425	5.489	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccc(F)cc1	511727400	BFCIJIAVLVFGSB-LBPRGKRZSA-N	413.688	5.995	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@]4(CC=CCC4)C3)cc2F)c1	512548337	AQQKZRFQIRTNMW-RUZDIDTESA-N	419.500	5.631	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccc(Br)cc1)C(C)C	513863268	GENKTOZRLYXDGD-UHFFFAOYSA-N	416.319	5.162	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1[nH]c2ccc(Cl)cc2c1Cl	515744354	FPDVHCVEPSIXLU-UHFFFAOYSA-N	411.210	5.275	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Br)cc1	517460816	XRDZEFDQGRGVCG-ZIAGYGMSSA-N	418.360	5.140	30	20	HKED	
Cc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	517461970	WEAQIWDVDBWYQJ-UHFFFAOYSA-N	410.486	5.750	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCCc1ccc(-c2csc(C)n2)s1	518998297	FBPDFEYPZLTWSJ-UHFFFAOYSA-N	415.559	5.259	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1	519450302	ZVCSYODVEVPCEV-CVDCTZTESA-N	415.562	6.044	30	20	HKED	
COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)cc1	519515783	WNEDOCAMZMWZRF-INIZCTEOSA-N	421.522	5.316	30	20	HKED	
N#C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1	520019079	KXMLGHWZDQQBIH-OAHLLOKOSA-N	406.269	5.251	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cccnc1N1CCCC1	521041854	WUJXPJOPOURNDO-UHFFFAOYSA-N	413.481	5.298	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)CCC2CCCC2)cc1Cl	521472087	HKBSXYBEQAJBQE-NRFANRHFSA-N	423.944	5.021	30	20	HKED	
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	523628571	VZJSOQBHPZEBDH-AVRWGWEMSA-N	411.505	5.387	30	20	HKED	
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	523628573	VZJSOQBHPZEBDH-CJAUYULYSA-N	411.505	5.387	30	20	HKED	
Cn1ccnc1SCc1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1	524572882	ZQBRMGGXTNUNCF-OAQYLSRUSA-N	418.566	5.005	30	20	HKED	
Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4cccc(C#N)c4)o3)c2n1	525622951	REBRVDIVFVTKQO-UHFFFAOYSA-N	411.248	5.351	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)C1CC1	532817709	JLAQGTCVSYCYSL-HNNXBMFYSA-N	404.445	5.322	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(C)o2)nc2scc(-c3ccccc3)c2c1=O	536540296	JSGSFIUYSJUBAR-AWEZNQCLSA-N	409.536	5.461	30	20	HKED	
CC(C)C[C@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	537512070	LTMJPWXZLHUEIP-VWNXMTODSA-N	421.541	5.047	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C	537707739	KSZVWRNMZPHGNW-UHFFFAOYSA-N	416.437	5.140	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)NCc2cccc(C#N)c2)c1	541335930	GEFBSAQHNHQIEF-JWQCQUIFSA-N	411.505	5.007	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)C1(C)C	545378495	IQAHJOMSNWNOFO-IRLDBZIGSA-N	406.501	5.180	30	20	HKED	
N#CCCC[C@H](N[C@H]1CCc2c(Cl)cc(Br)cc21)c1ccccc1	550827936	STLPRCCZBQMTTH-PMACEKPBSA-N	403.751	6.115	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccccc3)C3CCCC3)CC2)c1	552306324	UMMYBKWFWUEYIE-XMMPIXPASA-N	403.526	5.043	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)N(c3ccccc3F)C3CCCC3)CC2)c(F)c1	554725828	GPVORHBUMKZLQT-UHFFFAOYSA-N	409.480	5.029	30	20	HKED	
N#CCc1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1	559235730	MRBXCRMSTXVZCJ-UHFFFAOYSA-N	402.841	5.104	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(-c4cccs4)c3)CC2)c(F)c1	563738945	OJBINQXWLNCPJL-UHFFFAOYSA-N	421.497	5.501	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccc(C#N)c([N+](=O)[O-])c2)cc1	567157014	JAKMWXUPILHGBF-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2cccs2)cc1	570870629	ZBGJQZUPWNXEST-UHFFFAOYSA-N	419.598	5.482	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(-c2cncnc2)cc1F	575698234	XZGVSUWJKSRTNU-UHFFFAOYSA-N	408.436	5.001	30	20	HKED	
O=C(N1CCC[C@H]1CF)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	578092755	DTSSKQNXNUQTGF-CJTLSQLKSA-N	415.393	5.069	30	20	HKED	
C=CCN(C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C)C1CC1	582317142	DMJNKMTVACLJOO-CYBMUJFWSA-N	420.376	5.302	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3occc3COc3ccccc3)n2)cc1	590613287	LYBWTUOGWGHVMS-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)COc3c(Cl)cccc3Cl)cn2)c1	603622326	SJTCVVXIGVUAQI-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cn2)c1	603627276	YLJHJRWKNVKATA-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1	605412701	PLYSBNWRENZNJT-HXUWFJFHSA-N	404.470	5.061	30	20	HKED	
CC[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	606706114	BTFJENGWBNPMRS-RULNRJAQSA-N	418.328	5.188	30	20	HKED	
Cc1ccccc1SCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	609028641	KRMGPJTUEVUWFH-JOCHJYFZSA-N	402.519	5.047	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cc2ccccc2o1)c1ccc(OCc2ccccc2)cc1	609173319	OIIFHEZWVHRUTL-XMMPIXPASA-N	410.473	5.325	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCc4ccc(F)cc43)cc2F)c1	609322534	RJWPDDSMTIQBGB-JOCHJYFZSA-N	419.431	5.224	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)c(C)c1	609376810	JYJCPKBMDSUHSF-OAHLLOKOSA-N	407.564	5.931	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccccc1SC[C@@H](C)C#N	609387669	CAEGKVPSKGIBQB-ZFWWWQNUSA-N	417.962	5.348	30	20	HKED	
C=CCN(C(=O)CCCSC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	609853946	UTNRZGXGKSNHKE-UHFFFAOYSA-N	401.384	5.779	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	609929742	LNNORMKXFPCZFI-CVEARBPZSA-N	401.963	5.687	30	20	HKED	
COc1cc(C#N)ccc1OCCSCc1csc(-c2ccc(F)cc2)n1	610136708	GXRFMUKTOTZUAA-UHFFFAOYSA-N	400.500	5.142	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccc(C#N)cc2F)cs1	610164620	IAKIRLDXBCIRHQ-UHFFFAOYSA-N	411.527	5.748	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1C(F)(F)F	610240111	XXRDRTIOJBWBPI-ZBEGNZNMSA-N	416.321	5.089	30	20	HKED	
C[C@H](NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1	610408188	MRAVMOFYGJQZRT-MGPUTAFESA-N	401.432	5.575	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)c(O)c(Cl)c1	622485558	QUJHUILGATUCLB-CYBMUJFWSA-N	415.692	5.237	30	20	HKED	
C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1	669817013	DJMNZTDYEYLCOO-QGZVFWFLSA-N	424.508	5.138	30	20	HKED	
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1	670198772	MIGJUPSPSCRTEO-GOSISDBHSA-N	419.554	5.032	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674444429	YKLPCUSLQIYERE-OASPWFOLSA-N	421.303	5.083	30	20	HKED	
CCCCCCCCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1	726152536	UOPKXXAMLHCJSO-UHFFFAOYSA-N	423.395	5.377	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cccc(COCCOc3ccccc3)c2)c1	726468061	QOTJWQJXJDLIOU-UHFFFAOYSA-N	402.519	5.072	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1	726733002	OHLOMLQMENRTGM-INIZCTEOSA-N	424.909	5.347	30	20	HKED	
N#C[C@@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc2ccccc2n1C(F)F	727038030	CLTPILNIROUTRL-LAUBAEHRSA-N	409.436	5.308	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cccc(O[C@@H](C)C(=O)O)c2)CC3)cc1	727654267	KHDPAMHRCJBRNB-BRFSQIRFSA-N	419.502	5.183	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2sc(C)nc2-c2cccs2)c1	728185131	GQLLWTKPZVMBKJ-UHFFFAOYSA-N	418.543	5.530	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OC(F)F)cc1	732398199	AEIIWHUJRGQLQE-AWEZNQCLSA-N	410.376	5.265	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)o1	732769846	PXCWEHIRKQXCKQ-ZYHUDNBSSA-N	423.325	5.051	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cs1)C1CC1	734307112	VKJLYPFXKBBATC-KAMYIIQDSA-N	418.518	5.134	30	20	HKED	
C=CCN(C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C)C(C)C	740485861	MOORYPPUHMEMOT-CQSZACIVSA-N	422.392	5.548	30	20	HKED	
O=C(/C=C/c1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)C2CCCC2)cc1	741448391	XPCWCGSZUSATSX-CCEZHUSRSA-N	423.559	5.423	30	20	HKED	
CC(=NNc1c(Cl)cc(Br)cc1Cl)c1c(C)nn(C(C)C)c1C	741843848	MPVCPHBALMQDMA-UHFFFAOYSA-N	418.166	5.986	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(OC(F)F)c(Cl)c2)cnn1-c1ccc(C#N)cc1	741852041	IHIDFFKXMUPXIH-XBXARRHUSA-N	413.811	5.203	30	20	HKED	
O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)COC2	742436117	GHYAGTNCTZLBGS-OQYWKCLKSA-N	405.381	5.453	30	20	HKED	
N#Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12	742712282	GDVBIGQWNJTKCP-GOSISDBHSA-N	417.856	5.240	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1	744032972	PUIYCQJRHDKJMZ-GOSISDBHSA-N	416.477	5.214	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1nc(-c2c(F)cccc2F)cs1	744073297	CRNSSTPUFZMDQA-FRRDWIJNSA-N	416.399	5.346	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)n1	747124506	UTCHWZUJZMNARM-AREMUKBSSA-N	420.516	5.456	30	20	HKED	
Cc1sc2nc(/C(Cl)=C/c3ccc(C#N)s3)nc(O)c2c1-c1ccccc1	748998539	MCUMUOGDCGCWCH-DHDCSXOGSA-N	409.923	6.042	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)s1	750684217	NPQBNQWKDLAMIA-GDBMZVCRSA-N	424.909	5.645	30	20	HKED	
CC(=NOCc1ncc(-c2cccc(F)c2)o1)c1nc2ccccc2n1C(F)F	754276596	OVOVXAISNJOACT-UHFFFAOYSA-N	400.360	5.166	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1cc(Br)c2c(c1)OCCCO2	754712199	FXKNHSJBBXUXFK-UHFFFAOYSA-N	416.193	5.042	30	20	HKED	
Cc1ccc(-c2csc3ncnc(NN=Cc4cnc([C@@H]5CCCO5)s4)c23)cc1	755591202	ASZUYPRWOZTOML-KRWDZBQOSA-N	421.551	5.421	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(F)cc(F)c2)cs1	755706199	UUVIZTYCOCBJQE-DAXSKMNVSA-N	418.852	5.655	30	20	HKED	
Cc1cccnc1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	760185168	YRYNMKQIVXSHSL-IDTUSYRASA-N	414.317	5.710	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	760205260	TXXPZUDERYRQRR-KRWDZBQOSA-N	424.497	5.310	30	20	HKED	
Cn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1=S	765046961	IPZZXCVBKVPRMU-PMACEKPBSA-N	423.973	5.001	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1	766015918	DSDIAFHVFLZEOF-UHFFFAOYSA-N	423.900	5.522	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)nc1C(F)(F)F)c1cccc(Cl)c1Cl	766857922	PEDRDPPSPFYHJC-SNVBAGLBSA-N	408.594	5.055	30	20	HKED	
FC(F)(F)C1CCC(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)CC1	767368744	YFSANVDCJOHPFU-UHFFFAOYSA-N	423.291	5.743	30	20	HKED	
N#Cc1ccc(OC2CCC(NC(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)nc1	769154568	PFZYUSUCJFGNNZ-UHFFFAOYSA-N	424.715	5.033	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)ccc2c1	770844290	YQHPGKAFIOFLHJ-OYHNWAKOSA-N	410.473	5.333	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](c2ccccc2)N2CCc3ccccc32)n1	772674269	BPWDQOKBFOPPEX-UGKGYDQZSA-N	401.535	5.247	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	772984272	PKEXWXPZJLFYSB-SJLPKXTDSA-N	421.522	5.855	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)C(=O)c1ccc(Cl)cc1	777303469	APCQORFHTFIASC-IUODEOHRSA-N	415.827	5.170	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C)c1ccncc1	777741487	QXMBUTXCWITKAQ-YADHBBJMSA-N	407.558	5.257	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1	780159887	PZIKGCHWVQFZJP-MRXNPFEDSA-N	414.490	5.144	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	780671358	WIVIHVWYYWQBAP-IBGZPJMESA-N	415.493	5.220	30	20	HKED	
CC(C)(C#N)CCCOC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1	780852014	UPRAZYMXGSZGAI-HXUWFJFHSA-N	412.917	5.074	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1cccc(OCC#N)c1	781604957	XFDBRIDCFADUQW-UHFFFAOYSA-N	402.237	5.112	30	20	HKED	
CC(C)c1ccc(NC(=S)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	787199463	RRIUVUWWMFTBQM-UHFFFAOYSA-N	406.555	5.202	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccccc1O[C@H](C)C#N	792546976	GYJZZXLQRKMADU-GFCCVEGCSA-N	415.371	5.212	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	793572957	XFKOGMUQKHNXNV-IBGZPJMESA-N	414.977	5.142	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)COC(c2ccccc2)c2ccccc2)s1	797568751	VRRYWINBXYUTOO-LJQANCHMSA-N	404.535	5.423	30	20	HKED	
CCc1cc(C)cc(CC)c1NC(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1	797682958	DDAMTNZYHWEUCK-FQEVSTJZSA-N	409.530	5.131	30	20	HKED	
N#C[C@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	802045525	OGYIHDDGUVOLBT-IUODEOHRSA-N	412.795	5.856	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2coc(C(C)C)n2)cs1	806557580	DQIQXHSAKXVZHY-RMKNXTFCSA-N	415.902	5.489	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1O	811593380	DSBLDHHWCULTJL-UHFFFAOYSA-N	416.477	5.020	30	20	HKED	
CC(=NNc1nc(C)cc(C)n1)c1sc(-c2ccccc2Br)nc1C	814681453	MZTPFXJUVHEAIZ-UHFFFAOYSA-N	416.348	5.124	30	20	HKED	
O=C(OC(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1)C1CC(F)(F)C1	816477435	ZEKFMWQSALLMTN-UHFFFAOYSA-N	410.260	5.199	30	20	HKED	
C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	857314337	WDPKAULGWOQCSA-INIZCTEOSA-N	417.534	5.127	30	20	HKED	
Cc1c(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)sc2ccc(C#N)cc12	904427898	IJHGXPROLDGSSP-UHFFFAOYSA-N	401.495	5.184	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)c1	915101766	ICUUXOUBHHOHAO-LJQANCHMSA-N	415.543	5.661	30	20	HKED	
CC(C)Oc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1	915945788	YYZNRPNMQFLALZ-UHFFFAOYSA-N	407.326	5.210	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2nc(-c3ccccc3)cs2)cs1	916545267	DNTSOXIPFSJILT-UHFFFAOYSA-N	419.535	5.397	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2c1C	916906467	UBHUDALDDLGREF-NRFANRHFSA-N	423.472	5.538	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc(Cl)ccc2o1	916927851	DCJJXACTWYLXMI-GFCCVEGCSA-N	407.640	5.354	30	20	HKED	
CCCCOc1ccc(-c2nnc(CON=C(C)c3cc4ccccc4o3)o2)cc1	917395569	RJQYZNWTWFGWQH-UHFFFAOYSA-N	405.454	5.603	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cs1	917559487	JQQCSVRYZXVRBN-NTEUORMPSA-N	420.534	5.819	30	20	HKED	
COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)no1	918170798	ZYPLQCWDCKANQE-UHFFFAOYSA-N	407.495	5.195	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)c(OC)c1	918712449	AEWFGXSLSOIAGU-YHYXMXQVSA-N	415.898	5.289	30	20	HKED	
CCCCC1CCC(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	920322346	GSHMKWITONZTJH-HTIOENIKSA-N	417.553	5.146	30	20	HKED	
Cc1ncc(CO)c(C=Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)c1O	920833793	PYSMHZPOPCJRPV-UHFFFAOYSA-N	420.362	5.289	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2Cl)c2ccc3nc(O)[nH]c3c2)cc1	1615984362	PZWZDSKZDGGDMM-UHFFFAOYSA-N	406.848	5.139	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1	1788727174	MXZFPAILHSTIHY-CQSZACIVSA-N	420.431	5.258	30	20	HKED	
N#CC1(c2ccccc2)C/C(=C\c2ccc(O)cc2)C(=O)/C(=C/c2ccc(O)cc2)C1	6432853	YLSGSHNBZZKGIP-NNFYUIBOSA-N	407.469	5.389	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cccc(C)c1	10167622	FOPZPMJLJKQPLQ-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	26175911	RZCPFAPWSXTMIK-INIZCTEOSA-N	418.518	5.218	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCC2)c(F)c1	71981449	BNCDHGOMZVDQTG-UHFFFAOYSA-N	417.509	5.701	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1C#N	108944282	ISSMLBJESUGKOX-UHFFFAOYSA-N	416.506	5.301	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	303587594	LQIQWYGCSRHLDD-UONOGXRCSA-N	421.312	5.528	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](CC(=O)O)c2cccc(Cl)c2)c1	426821252	RFYYDQWQMNPHIP-HSZRJFAPSA-N	420.896	5.096	30	20	HKED	
COc1cc(Cl)cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	431356677	MZFGRFFRGMJBLO-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
CN(C(=O)Nc1ccccc1C#Cc1ccccc1)[C@@H](c1ccccc1)c1ncc[nH]1	433003575	ADMJTIANGPABSN-DEOSSOPVSA-N	406.489	5.063	30	20	HKED	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	434009688	BKJRLQUNSQTFLF-HRAATJIYSA-N	402.523	5.015	30	20	HKED	
COc1ccc(C#N)cc1CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	434878694	DZLWYUMFMIYEOG-UHFFFAOYSA-N	415.371	5.043	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(-c3cscn3)c2)cc1F	437456976	CHLGTRBGWQZFNG-UHFFFAOYSA-N	415.449	5.865	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NCC(=O)NCc2ccc(C#N)cc2)cc1	439543367	ABCZXLZRRRTJGS-SFHVURJKSA-N	401.535	5.140	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccsc3)c3cccnc3)o2)cc1	440725971	GZYXIWVDQACANF-UHFFFAOYSA-N	415.474	5.034	30	20	HKED	
COc1ccc(CNCc2sc3ccc(Cl)cc3c2C)cc1OCCCC#N	441355879	LEMCNUNLIUKAFR-UHFFFAOYSA-N	414.958	5.844	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	443861298	WPJAIOOFQAQQHI-UHFFFAOYSA-N	417.368	5.466	30	20	HKED	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1	460213106	DABIWRQZLLQZNS-LJQANCHMSA-N	411.505	5.012	30	20	HKED	
Cn1cc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C(F)F)n1	461208956	LCUATWHYJMOSAX-UHFFFAOYSA-N	422.357	5.653	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1	463758579	YURKGVHQWKYHGC-AWEZNQCLSA-N	409.536	5.465	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)oc12	464397861	JRISWWGFMWGWFB-ZDUSSCGKSA-N	423.188	5.408	30	20	HKED	
Cc1ccc2c(CCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c[nH]c2c1	465131130	XGXNUQKOSQDOBU-SANMLTNESA-N	423.516	5.369	30	20	HKED	
Cc1ccccc1-n1c(SCCCSCC#N)nc2cc(Cl)ccc2c1=O	466616802	GFBLQKYZTLZJQC-UHFFFAOYSA-N	415.971	5.087	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	467331843	NIPLODQMZHAIRX-INIZCTEOSA-N	417.513	5.493	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	473582466	LHMGBBHSSXWITP-UONOGXRCSA-N	408.445	5.363	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)c1occc1COc1cccc(C#N)c1	474777429	VSKXGTRVDRDCOG-UHFFFAOYSA-N	418.493	5.606	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1	475553375	UPUDIAXIUQYZHO-OAHLLOKOSA-N	424.932	6.125	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCc4c(O)cccc43)cc2F)c1	476019355	LOFRHQHESLPFJK-NRFANRHFSA-N	416.452	5.041	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccccc1	476853508	QZSOIYFFFLGCAB-QUCCMNQESA-N	412.917	5.314	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	481458876	JUUBTDYMNSTXGW-UHFFFAOYSA-N	409.530	5.208	30	20	HKED	
CCS[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	483444025	MTLJSQPWIIADGA-VXKWHMMOSA-N	409.555	5.127	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3)s2)cc1	483853110	NKCSXECPDSZFAO-OAQYLSRUSA-N	420.513	5.504	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1	484071643	HAIJIKVXUWGWAN-UHFFFAOYSA-N	412.114	5.809	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1	485730354	FGYSSMPBZWPCRC-UHFFFAOYSA-N	412.530	5.875	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	486463624	DHZQOYFXAFADBB-QGZVFWFLSA-N	423.513	5.174	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1	486676927	OBSDOXUVJMYQDI-KRWDZBQOSA-N	402.441	5.536	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1	486726179	UVXWYBAQCCENFB-UHFFFAOYSA-N	417.578	5.670	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)Nc3cccc(OCCCC#N)c3)cc2)n1	502526310	CIQWGQJPSZDUSU-UHFFFAOYSA-N	405.458	5.187	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	502656718	NWFXAJWGRZJKKE-HXUWFJFHSA-N	414.553	5.567	30	20	HKED	
Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)nn1CCC#N	504244754	AVYKAFHCEWVQDZ-UHFFFAOYSA-N	405.310	5.393	30	20	HKED	
COCCSc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1	504741602	MBBREAFBSWVBTN-SFHVURJKSA-N	416.546	5.455	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nc(C(C)C)ncc2Cl)cc1	505618159	HKXUJACMGOMMPM-UHFFFAOYSA-N	422.872	5.178	30	20	HKED	
CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	508366740	WJLKYTNUTCIIGQ-UHFFFAOYSA-N	402.498	5.239	30	20	HKED	
Cc1cc(CNC(=O)NCCCCC#N)ccc1Oc1ccc(Cl)cc1Cl	509439080	VBZOPNNKONSTSV-UHFFFAOYSA-N	406.313	5.587	30	20	HKED	
N#Cc1cc(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)cnc1C(F)(F)F	510119682	KRPGRYNRVAVSDT-UHFFFAOYSA-N	401.775	5.545	30	20	HKED	
C[C@H](NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(C#N)cc1F	512655203	SFLKYXGICSQFIM-AWEZNQCLSA-N	415.390	5.754	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1	512823020	JCOIJEOVPFQKRS-KRWDZBQOSA-N	404.510	5.523	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1F	513909018	HWXRRPVRVYJKHP-MRXNPFEDSA-N	423.438	5.449	30	20	HKED	
CC(C)N(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	513988291	WMHVVXJSOFYZSK-UHFFFAOYSA-N	412.493	5.253	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12	514489812	ZVPCDGZIZGLUPP-UHFFFAOYSA-N	414.490	5.263	30	20	HKED	
C=CCn1c(N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)nnc1C(C)(C)C	514971643	BNWLRPBNKULLKR-GOSISDBHSA-N	406.578	5.076	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COCCOc2ccccc2)cc1Cl	519105393	OGMMBNGNOWDGOW-QFIPXVFZSA-N	420.896	5.030	30	20	HKED	
CC(C)(C)n1nc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C1CC1	519122498	IRYLRLPBFHNZRI-UHFFFAOYSA-N	400.482	5.432	30	20	HKED	
Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)c1Cl	519401005	AHKSPRQXYHNJRA-LLVKDONJSA-N	415.367	5.354	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1	520679066	KTQGTGFOFLDSCV-OAQYLSRUSA-N	408.910	5.692	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1	521736559	NPGZLXFHOBRXQA-IBGZPJMESA-N	421.541	5.060	30	20	HKED	
COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OC(C)C	521783541	UZWPYGMGNMNMKW-IBGZPJMESA-N	423.557	5.283	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(OC(F)F)cc1	522304082	NZRDRNKLTREZLO-INIZCTEOSA-N	422.431	5.230	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCOCc1ccccc1	523301534	XNMYYNMDPCGRPP-UHFFFAOYSA-N	416.496	5.536	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	524566339	RTWSSLOLJJZLAA-MRXNPFEDSA-N	407.539	5.911	30	20	HKED	
CC(C)c1ccc(Nc2nnc(Sc3c(C#N)nnc4ccccc34)s2)cc1	524843025	XKWKACUXZRFETF-UHFFFAOYSA-N	404.524	5.371	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F	525050439	XMOBQYYYRSWHPZ-HUUCEWRRSA-N	406.473	6.232	30	20	HKED	
C[C@H](NC(=O)c1ncsc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	527173742	XXGLIAKWQVEBQZ-LBPRGKRZSA-N	401.413	5.192	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1	533965181	IYBDBTILRBGYCP-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c(C#N)s1	534520153	IBIYBFTZFLHYNG-UHFFFAOYSA-N	414.918	5.192	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NCc3nnc(-c4ccc(C#N)cc4)o3)cc2)c1	537101511	PNPBDMPXARZYOF-IBGZPJMESA-N	424.504	5.347	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c(C)c2)n1	538532015	MMNGCNAQWIATJR-UHFFFAOYSA-N	405.548	5.719	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3C(F)(F)F)cc2)CC1	538534793	XNJNTVXLKMHZDK-UHFFFAOYSA-N	422.406	6.305	30	20	HKED	
CCN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1ccc(C#N)c(Cl)c1	540273418	GVLOAMCKDLOLCS-UHFFFAOYSA-N	403.841	5.280	30	20	HKED	
CCc1ccc(OCc2nnc(SCC3(C#N)CC3)n2[C@H](C)c2ccccc2)cc1	540859548	WTMWIVWPUWCHIQ-GOSISDBHSA-N	418.566	5.425	30	20	HKED	
C=CCOc1c(Br)cc(CN(C)[C@H](C)c2cccnc2)cc1OCC	541763464	NHGCHODXTNLGBH-OAHLLOKOSA-N	405.336	5.001	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1	542002961	MCXUTSPDSYSPCR-ZDUSSCGKSA-N	406.473	5.821	30	20	HKED	
C[C@H](C#N)CNC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C	543805307	MAKYKJOKTKGGAI-RKVPGOIHSA-N	406.917	5.199	30	20	HKED	
C[C@H](C#N)CNC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C	543805309	MAKYKJOKTKGGAI-VKJFTORMSA-N	406.917	5.199	30	20	HKED	
N#CCCC[C@H](NCc1ccc(I)cc1Cl)c1ccccc1	552312007	LXVIXZDWIPKXLE-SFHVURJKSA-N	424.713	5.469	30	20	HKED	
COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	553070897	CJPHUNRQENYCDZ-PKOBYXMFSA-N	409.555	5.186	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	557727510	GQYHCUBYYNABKI-KRWDZBQOSA-N	420.538	5.028	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CNC2(c3cccc(C#N)c3)CC2)cs1	560175255	PKIWHTNXJRHLKY-UHFFFAOYSA-N	422.941	5.132	30	20	HKED	
Cc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(-c2nc3ccccc3[nH]2)c1	562626817	FGSVFSICRGLFLZ-UHFFFAOYSA-N	419.444	5.317	30	20	HKED	
Cc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccc(Cl)cc1	567080898	GCAHJIPHOKECJV-UHFFFAOYSA-N	417.900	5.027	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cn2)c1	603624308	ZWGFZTNEMCUCAE-UHFFFAOYSA-N	421.460	5.061	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1	603658249	VSPIMRKXUHESPI-NRFANRHFSA-N	410.949	5.100	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1F)c1ccccc1	603739384	WPPNBBOUCUEGQG-UHFFFAOYSA-N	418.468	5.098	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	604044378	IYUXNEKQXBWDKM-QGZVFWFLSA-N	419.912	5.538	30	20	HKED	
Cc1[nH]c2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc2c1C	604182216	YRKKGUWSOUAMGA-UHFFFAOYSA-N	408.461	5.161	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1	604940654	FSDXWDORCTWSNN-UHFFFAOYSA-N	424.547	5.296	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	609377216	RVDGABCGBKLPBB-RTBURBONSA-N	416.546	6.011	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	609434684	IWRDEVCRJDOKTA-IEBWSBKVSA-N	418.566	5.974	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	609642997	SIIMEWNQVILMLQ-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(COc4ccccc4)CC3)c2)cc1	609988629	QRCMKBXJTUCJNJ-UHFFFAOYSA-N	411.505	5.233	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Cl	610346320	TVQNBONQPRZECF-SBUREZEXSA-N	403.913	5.551	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](OC(F)F)C2)cc1Cl	611595199	WKQHNVLWQDWJRO-SJLPKXTDSA-N	419.859	5.231	30	20	HKED	
CCCc1c(NC(=O)c2cc3ccccc3cc2OC)cnn1-c1cccc(C#N)c1	615290538	KOMCBUNDOBLVGL-UHFFFAOYSA-N	410.477	5.111	30	20	HKED	
N#C[C@H](Sc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1	619863489	TYKPPQVYIABZNC-AWEZNQCLSA-N	406.692	5.509	30	20	HKED	
CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1-c1ccccc1	725804688	AZSRUZNXEXMXSZ-QHCPKHFHSA-N	418.500	5.023	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	730418495	WDNSNRYAEVBYMQ-IYNGYCSASA-N	406.360	5.224	30	20	HKED	
CC(=NNc1nc(-c2ccc(Cl)cc2)no1)c1sc(-c2cccnc2)nc1C	732924984	DUCFLVXHBDALOO-UHFFFAOYSA-N	410.890	5.053	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	738896307	NTWXSXFPPGRKAL-URXFXBBRSA-N	411.505	5.372	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN(Cc1ccc(F)cc1)C1CCCCC1	739839867	UZJGZSUPTAWNMZ-UHFFFAOYSA-N	403.505	5.057	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Oc3ccccc3)ccn2)cc1	745947979	QUWMRKZISBTNMD-JOCHJYFZSA-N	413.477	5.178	30	20	HKED	
Clc1cccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)co2)c1	746330818	NHGYSKULPQELQJ-UHFFFAOYSA-N	419.868	5.520	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cnc(-c2ccccc2Cl)s1	748003713	HXDBFLJRASBGRW-CQSZACIVSA-N	416.289	5.078	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1	748620642	SLOGRHRIXHHEKJ-LAUBAEHRSA-N	422.529	5.439	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCC2)n1	751542647	HFXQGJGFFYYIBO-FQEVSTJZSA-N	402.523	5.308	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc1C#N	752297127	JPNKVNPEPNHSKW-AUUYWEPGSA-N	422.485	5.040	30	20	HKED	
C/C(=C/C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1OC(F)F	753232017	OZBHOTLIJBRRRN-NTMALXAHSA-N	417.296	5.035	30	20	HKED	
CCCCCCCCn1c(S[C@@H]2CCOC2=O)nnc1-c1ccc(Cl)cc1	753420555	VOSGNSSJFVTBDP-QGZVFWFLSA-N	407.967	5.367	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1	762635932	LUWSQMMSESABOA-LADGPHEKSA-N	424.504	5.297	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(C)cc1	765334060	WISBXJNIISFFCK-KRWDZBQOSA-N	417.538	5.651	30	20	HKED	
C#CCCCSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	766278109	VXGYXOXMUFQIHR-LGMDPLHJSA-N	416.955	5.300	30	20	HKED	
N#C[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl	772658714	KASGFCTXBKLFBT-LSDHHAIUSA-N	418.107	5.105	30	20	HKED	
CN1C(=O)CCc2cc(/C=C/C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])s3)ccc21	774119134	LGGRCJBVJFHQJS-JXMROGBWSA-N	418.474	5.128	30	20	HKED	
N#CCOc1cccc(NCc2cn(Cc3ccccc3)nc2-c2cccs2)c1	779586392	UATNUAANXRSORU-UHFFFAOYSA-N	400.507	5.174	30	20	HKED	
CCOc1cccc2[nH]cc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12	782279539	CDZPLBQCHRUIDJ-JOCHJYFZSA-N	409.489	5.403	30	20	HKED	
Cc1cc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)s1	783361549	QLTPJPRZVLYANX-SFHVURJKSA-N	419.531	5.200	30	20	HKED	
Cc1ccncc1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	784834169	XSOPNOBPWKNSKL-SVERHTFXSA-N	414.317	5.710	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)[C@@H](C)Oc1ccc(Cl)cc1Cl	788028190	KHQFPCGEOCZPGH-LLVKDONJSA-N	408.314	5.162	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C2CCC2)cc1	791617908	AQGJPGVSEXOYMN-MRXNPFEDSA-N	408.523	5.144	30	20	HKED	
C#CCC1(C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)CCCCC1	791952317	LBWPPDMVJGOICA-UHFFFAOYSA-N	422.594	5.499	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1	795765454	FVCIKWUYLGMLQS-OALUTQOASA-N	410.518	5.162	30	20	HKED	
N#CC[C@H](CC(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	795980570	HPKMMTRREXUZTE-CQSZACIVSA-N	416.264	5.174	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)C[C@@H](CC#N)c1ccccc1	795980962	GMCAWQFFNBFXSQ-HXUWFJFHSA-N	406.526	5.503	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccccc2Br)CC1)c1nc2ccccc2s1	796716429	YBWBELXNVVWZPW-CQSZACIVSA-N	411.324	5.258	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(C)o2)c1	797199734	YZIQJTXTXVDUGK-BENRWUELSA-N	414.461	5.354	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	804458829	HTJLEESXCATTAQ-HKBOAZHASA-N	400.547	5.097	30	20	HKED	
C[C@@H]1[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1	807620113	DOCMJEXGTKJSLL-BQQUOAEZSA-N	424.548	5.127	30	20	HKED	
O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1ccc2ccccc2c1OC(F)F	844240000	SKMALIZYWZRTIX-UXBLZVDNSA-N	409.367	5.057	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2cnn(Cc3ccccc3Cl)c2)cc1	915114394	LYZOOJVAVRXSNA-GHXNOFRVSA-N	422.916	5.011	30	20	HKED	
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cc2ccccc2o1	916138366	HIPGXVBULRKORX-OUKQBFOZSA-N	405.457	5.636	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccncc2)n(CC=C)c1=S	916567663	BTYRSBBHHJRPKR-UHFFFAOYSA-N	417.991	5.023	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	917047226	UIPAAAVCNIQIFN-CYBMUJFWSA-N	410.804	5.267	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccnc3S)cc2)cc1	917119625	PJHFQABTEOJUTQ-JOCHJYFZSA-N	410.502	5.069	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1ccc(C#N)cc1	917143172	DMLKGFTZFILASM-VAWYXSNFSA-N	406.283	5.019	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(F)cc3)n2)cc1	920139300	QSFHFZHVDYSEIM-SFHVURJKSA-N	412.511	5.067	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccc4c(c3)CCC4)n2)cc1	920144050	WZUYOFOVGRTIAF-FQEVSTJZSA-N	420.559	5.276	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820906136	MYIOIPZNPLNOBN-CMXLANDRSA-N	424.589	5.307	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc2ccccc2s1	1036935	ALANGDHTTGSNBJ-NSHDSACASA-N	403.315	6.308	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(Cc2ccc(OC)cc2)C2CC2)c1=S	8148423	YDNMVHAGKOYXLZ-UHFFFAOYSA-N	424.545	5.037	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(C)cc1	10173189	WHDIVWPIEJVPNG-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2ccccn2)n1)c1nc(-c2ccccc2)cs1	22558916	LJTDCWTXJYNZIG-UHFFFAOYSA-N	418.547	5.090	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)s1	22695272	NDWZRUJSLDVXSR-UHFFFAOYSA-O	422.382	5.702	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1	25466335	LYVSHBRBFCLMRG-UHFFFAOYSA-N	419.575	5.517	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(C#N)cc1	26123643	WLQJCYLTCOOEOQ-CQSZACIVSA-N	411.383	5.255	30	20	HKED	
COc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	31436446	FCLJTQMEZKZQAJ-MRXNPFEDSA-N	420.896	5.290	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(OCC)cc2)n1	45405392	WBTUTEKGJKKRJQ-UHFFFAOYSA-N	419.550	5.062	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1	65451845	ZAHMDTZMBKXHMM-NRFANRHFSA-N	420.310	5.426	30	20	HKED	
C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1	65959277	UXCIQKWXECETNK-UHFFFAOYSA-N	405.567	5.367	30	20	HKED	
CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	72030848	SXWJSTPXRHFPOY-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)ccc1Br	217047175	ONZYOURFDQMBTE-LLVKDONJSA-N	409.736	5.749	30	20	HKED	
CCc1cc(O)nc(-c2ccc(NCc3cccc(-c4ccc(C#N)s4)c3)nc2)n1	301363136	MWDVENYTBDCHPQ-UHFFFAOYSA-N	413.506	5.019	30	20	HKED	
C[C@H](Nc1ccc(C#N)cc1Br)c1ccc(NC(=O)c2ccncc2)cc1	301883804	YIJAHAUIKSQIMX-AWEZNQCLSA-N	421.298	5.141	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCOc1ccc(F)c(F)c1	303322126	RNPINDISHANMQF-UHFFFAOYSA-N	423.419	5.138	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCOc2ccc(Cl)cc2Cl)cc1	303349484	DUSMASSREKNHOR-UHFFFAOYSA-N	407.297	5.108	30	20	HKED	
O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)cc1C(F)(F)F	426440180	OIQKXZWFMMNSCO-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	429014321	WEGKWGXJIFNBGG-UHFFFAOYSA-N	421.909	5.249	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1	429075298	DPAIYXIWBLPHGV-RPWUZVMVSA-N	411.505	5.521	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(-n3cnc4ccccc43)cc2)s1	430630706	SEPSYZOHMFGGPZ-QGZVFWFLSA-N	400.507	5.270	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccccc1	431317571	YVYAXTIUONYPBT-FQEVSTJZSA-N	424.957	5.698	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccccc1	431876150	AAOFWOYGFHYQJH-JOCHJYFZSA-N	418.472	5.247	30	20	HKED	
N#Cc1cc(NCc2cnc3cnccn23)ccc1Oc1ccc(C(F)(F)F)cc1	432426745	UTLOBJADFPTHBJ-UHFFFAOYSA-N	409.371	5.024	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	433224313	YQGNHVMIDWQQRC-WCBMZHEXSA-N	420.300	5.502	30	20	HKED	
COc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1O	436352566	NWFFRMJNAVIYAZ-UHFFFAOYSA-N	423.856	5.149	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC1CCC(Oc2ncccc2C#N)CC1	437108712	OTFQSADWZUCXQW-ATIQYGATSA-N	418.566	5.426	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F	437483504	MJESPKWLLPYYGB-DZGCQCFKSA-N	406.379	5.797	30	20	HKED	
CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	438690155	HSVOYMSEMFKCGV-UHFFFAOYSA-N	420.538	5.008	30	20	HKED	
COc1ccc2cc([C@@H](C)SCC(=O)Nc3cc(Cl)ccc3C#N)ccc2c1	438791805	HEIWKVKAUKUKJV-CQSZACIVSA-N	410.926	5.806	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccccc1Cl	441288274	BDZGOPCFXLFVLJ-QGZVFWFLSA-N	423.881	5.394	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1C	442511848	IQGQLBDFNIPQLZ-GFCCVEGCSA-N	418.341	5.136	30	20	HKED	
CC(C)c1ncc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1	442641190	AEEDNBMJEWNNEN-GOSISDBHSA-N	413.525	5.041	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCc3cc(Br)ccc32)c2ccccc21	443985823	ZTANIRRZBXWPEH-UHFFFAOYSA-N	422.326	5.301	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NCC(=O)N(CCC#N)c1cccc(C)c1C	444776828	CSCSGEIWZWVCIN-FQEVSTJZSA-N	417.475	5.142	30	20	HKED	
C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CCCC1(C)C	444778132	HQAJCVNGKOKOCU-HXUWFJFHSA-N	401.551	5.534	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2oc3c(C)cccc3c2C)c1C#N	445567818	USAJKGFBZCVZKM-UHFFFAOYSA-N	402.479	5.081	30	20	HKED	
Cc1nc(C(F)(F)F)sc1-c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1	463047181	CGBWTPYMVRSBJC-VIFPVBQESA-N	411.302	5.598	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	463095677	FIQJKSIHDOEKFY-UNMCSNQZSA-N	414.530	5.360	30	20	HKED	
C[C@@H](C(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@H]1C)c1cccc(C#N)c1	464047944	YSPIZGUCQGGMIS-WOJBJXKFSA-N	423.516	5.020	30	20	HKED	
CC(C)(C)[C@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	464159238	LXQVWYXPYCUJPF-QFIPXVFZSA-N	409.580	5.526	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464411157	LALPBSXZJJMIKP-ZDUSSCGKSA-N	405.763	5.207	30	20	HKED	
CO[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cccc(Cl)c1	464598330	UBXSAMYKCDZVLV-QHCPKHFHSA-N	420.896	5.316	30	20	HKED	
COCc1c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)sc2cccc(F)c12	464937004	DKTXJKSIJXEYGB-APWZRJJASA-N	408.498	5.099	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCCCC2)no1	465253607	NJUBXHCXOPUZBV-OAHLLOKOSA-N	413.547	5.144	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1cccc(C#N)c1	465513053	IGUJKKFKNHRHRS-QGZVFWFLSA-N	423.969	5.616	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1	467155629	RCNMEUWGORIRAP-HXUWFJFHSA-N	407.514	5.330	30	20	HKED	
CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1C	467756307	GBKBRFLDECVKMC-FQEVSTJZSA-N	420.557	5.098	30	20	HKED	
Cc1ccc([C@H]2CSCCN2C(=O)c2cn(CCCC#N)c3ccccc23)cc1	469432562	STXILGOBSSJGCU-HSZRJFAPSA-N	403.551	5.184	30	20	HKED	
CC[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[C@H]1c1ccccc1	470022662	PKCQWRNCGQGFNU-GBXCKJPGSA-N	411.505	5.401	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1F	473130371	BLUZFBDRCNIDOQ-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1	473756577	XZTSOXHYAOXEIT-UHFFFAOYSA-N	406.873	5.475	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)C[C@H](CC#N)c3ccccc3)s2)cc1	476095050	JEFQXVDCHBFGKP-UGKGYDQZSA-N	417.578	6.034	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@H]1c1ccc(Br)s1)c1ccccc1	476674079	RIHBQIBZKKPYSW-CVEARBPZSA-N	403.345	5.262	30	20	HKED	
Cc1c(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)oc2c1ccc1ccccc12	477879112	OBCZNUFJNRETGB-UHFFFAOYSA-N	406.445	5.086	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	480257624	CVKFGTNQCGHPHR-FOIQADDNSA-N	405.889	5.012	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1	482371004	SLIQGFMFEVMDFF-UHFFFAOYSA-N	409.392	5.087	30	20	HKED	
Cn1c([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21	483638417	WEQMEKLGKMYRKA-DEOSSOPVSA-N	422.488	5.215	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCO)CC1CCCCC1	486503997	BBSNIWXKNCJLST-UHFFFAOYSA-N	407.514	5.066	30	20	HKED	
N#CCCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2	486557952	IQKUXNFLYLDFGI-MYZSEDEFSA-N	404.476	5.434	30	20	HKED	
CN(Cc1ccccc1NCc1ccccc1C(C)(C)C#N)C(=O)c1cccs1	486562056	QBHJOGZVMKZZCD-UHFFFAOYSA-N	403.551	5.434	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccccc1	487802205	SYZLRNNOSNEPNA-IBGZPJMESA-N	404.489	5.109	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	488326850	LKKJMJYIYRWXDC-CQSZACIVSA-N	415.971	6.016	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccccc1-c1ccc(Cl)cc1	490613137	IPUXABMBJFNUIT-UHFFFAOYSA-N	424.928	5.380	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOC3(CCC3)C2)cc1Cl	494197616	HEBVEFLWKGVNBZ-AZUAARDMSA-N	409.917	5.219	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC34CCC4)s2)c(C(F)(F)F)c1	496384789	ZIHAWAZGQXNNQH-UHFFFAOYSA-N	420.460	5.175	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C	496691335	URTQMJJFHJQUKB-UHFFFAOYSA-N	420.538	5.205	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ccc(-c2ccccc2F)o1	500993585	DMYNXIRLVOZEQQ-UHFFFAOYSA-N	414.436	5.716	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12	502189013	UDLUVTGJZGOQJU-INIZCTEOSA-N	412.917	5.427	30	20	HKED	
CCN(C(=O)c1nn(-c2ccccc2)cc1OCC(C)C)[C@@H](C)c1ccc(C#N)cc1	503176377	HLSSIHGIFRTQPO-IBGZPJMESA-N	416.525	5.002	30	20	HKED	
Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1F	504292777	DKIHCIXSUAAKLT-UHFFFAOYSA-N	419.403	5.324	30	20	HKED	
N#Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)cc1	505078833	VCZVMBQFDIPJJZ-UHFFFAOYSA-N	401.466	5.083	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1	505826338	MMBHLOPLDGBOHL-HXUWFJFHSA-N	417.534	5.293	30	20	HKED	
N#CC1CCC(CNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1	508352809	PTOZCTXMZOUKLS-CPAJTMIGSA-N	400.494	5.244	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nc3ccccc3s2)cc1	510348346	XRTOZIDSXLNROD-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H](c1cccnc1)c1ccc(F)cc1F	512294300	WUZMHCJVHGUWLP-NRFANRHFSA-N	411.839	5.137	30	20	HKED	
C[C@H](N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(C#N)cc1F	512633668	AOZISROBWWWZGH-QMHKHESXSA-N	402.448	5.278	30	20	HKED	
CC1(c2nc3ccccc3s2)CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	513562653	CZTDDHWELMEPPP-UHFFFAOYSA-N	421.570	5.310	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc([C@H]2C[C@H]2C)o1	516641485	TYAONTFLQLKWLW-VFNWGFHPSA-N	401.466	5.697	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1	517461064	NBZBWZMUSOQGSQ-CQSZACIVSA-N	404.457	5.627	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519992026	FWKGVONHAAHLHV-UHFFFAOYSA-N	402.498	5.001	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc2cccnc12	520135945	BGFMCJQKGYRNEW-UHFFFAOYSA-N	408.461	5.529	30	20	HKED	
C[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(C#N)cc1	520961205	DRSIEULXIFUCPN-HNNXBMFYSA-N	407.857	5.763	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12	521326035	DEALGKJQDJCMII-MRXNPFEDSA-N	400.503	6.161	30	20	HKED	
CCOc1ccc(NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	521537656	MUOYLVJCNNRHDH-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)cc2)cc1	522959892	SRWUJQXZNHMARA-OAQYLSRUSA-N	414.480	5.389	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2ccc(N[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)c1	523387982	QRLWEJKFEGGJNU-VWLOTQADSA-N	413.521	5.208	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1Cl	524441464	JPSTXADWDXTQLS-UHFFFAOYSA-N	405.885	5.421	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1	524605286	HMOQZIMEFSSAEM-UHFFFAOYSA-N	413.408	5.325	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	532760189	FXHQAIWGDVNQGA-AOMKIAJQSA-N	415.990	5.660	30	20	HKED	
C[C@@H](C#N)CN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C1CC1	533142405	ZVMGDBXCEJIMAU-ZDUSSCGKSA-N	417.278	5.145	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	533299858	NRHUGWHLEXSLKB-HSALFYBXSA-N	407.583	5.206	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1	535242526	KKJWQNLNGXIBEE-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1CCC(F)(F)F)c1nc2cc(Cl)ccc2s1	536204787	RHKLWBFKHJSHSL-AWEZNQCLSA-N	408.832	5.935	30	20	HKED	
CCc1nc2ccccc2n1C1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1	537877312	ZRTDYWPYKIXEHO-UHFFFAOYSA-N	417.463	5.138	30	20	HKED	
C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)c2ccncc2)cc1	540390864	XCIODMVBMQRANU-KRWDZBQOSA-N	423.438	5.055	30	20	HKED	
Cc1cc(NC(=O)N(Cc2cccc3ccccc23)C2CCCC2)nn1CCC#N	540817092	GUGXCUFPMAHDAC-UHFFFAOYSA-N	401.514	5.235	30	20	HKED	
Cc1ccccc1C1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1	542669458	IAFUZJGDPLSCKX-UHFFFAOYSA-N	400.478	5.059	30	20	HKED	
Cc1c(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)sc2ccc(C#N)cc12	551761302	FQEVJJFKIXAWQV-LBPRGKRZSA-N	422.897	5.276	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1	554110596	NJUIFMHPSDOALK-UHFFFAOYSA-N	410.465	5.204	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	554348536	ITUMBSJJGNJFLP-UHFFFAOYSA-N	412.868	5.329	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1	556460205	QFQAAVZCKVXIDU-UHFFFAOYSA-N	424.957	5.457	30	20	HKED	
N#Cc1cccc(CNCc2cc(Br)ccc2OCc2ccccc2)c1	559737438	JFENFUQSRMEZQB-UHFFFAOYSA-N	407.311	5.190	30	20	HKED	
COc1ccc2c(c1)c(C(=O)NCC(C)(C)CCC#N)c(C)n2Cc1ccccc1	581032482	KIKXDRJOWXALBU-UHFFFAOYSA-N	403.526	5.066	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CCc3ccc(C)cc32)cc1OC	592461437	MLKXEHNHZLUHRA-IBGZPJMESA-N	402.332	5.108	30	20	HKED	
COc1ccc(SCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	603533245	WNCCZFRITBDCBA-UHFFFAOYSA-N	420.509	5.340	30	20	HKED	
CSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-]	603825411	HMOHIDNRHBRTAE-OAHLLOKOSA-N	409.492	5.239	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](c3ccccc3)C(F)(F)F)s2)cc1	604455495	KYIIOPWHCLSQSW-KRWDZBQOSA-N	416.428	5.031	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	604573258	YNYGDSGFWPSGDR-UHFFFAOYSA-N	414.509	5.230	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1	608838539	UOGYMVMHVJWPRS-IBGZPJMESA-N	424.909	5.351	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H](C)c1ccccc1	609080406	WVGVALUHFFJJQR-FQEVSTJZSA-N	413.521	5.713	30	20	HKED	
CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1	609104597	INQAEAOOQZQHNI-UHFFFAOYSA-N	424.863	5.095	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCc3ccnc(Oc4ccccc4)c3)c2)cc1	609126322	UNJZKHSZFCJMKK-UHFFFAOYSA-N	421.456	5.468	30	20	HKED	
C[C@@H]1Sc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2NC1=O	609175821	HCYXQLTXIOXDPA-AWEZNQCLSA-N	415.474	5.036	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)NCc3ccc(C#N)cc3F)cc2)c1	609240541	NVTRXIUORBPQPK-GOSISDBHSA-N	417.484	5.145	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)coc2c1	609378383	FKZHJDHJJFSYHB-UHFFFAOYSA-N	418.440	5.947	30	20	HKED	
COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	609436694	CUGHYWLPWPQLHY-MJGOQNOKSA-N	409.555	5.328	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NCC(=O)Nc1ccccc1SCC#N	609450831	WJTCMUAHRXKQEV-UHFFFAOYSA-N	403.507	5.454	30	20	HKED	
COc1cc(CSCc2noc3c2CCCC3)ccc1OCc1cccc(C#N)c1	609741232	WZZCRDIQRFATKP-UHFFFAOYSA-N	420.534	5.446	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(OCc4ccccc4)CC3)c2)cc1	609990071	GYFVZXVFNPCPON-UHFFFAOYSA-N	411.505	5.123	30	20	HKED	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	620696898	WDXZQWBMUGGWEG-RKDXNWHRSA-N	411.239	5.047	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1SCc1ccco1	672239065	XCSMUGNZSWACRQ-UHFFFAOYSA-N	409.555	5.568	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc(OC(F)F)cc2)cs1	726426977	OQCNLZCVLHREBN-UHFFFAOYSA-N	416.453	5.184	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3cccc4cccnc34)SC2=S)cc1Cl	726626439	GMRLORYAIISOCM-MFOYZWKCSA-N	407.907	5.166	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1cnc(N2CCCC2)nc1	727654338	LGUMHQDZAMPCPU-WTKPLQERSA-N	410.930	5.058	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)c1ccccc1SCC#N	728029173	JVXNUDRUHSACDE-UHFFFAOYSA-N	422.937	6.095	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CON=Cc1ccc(C(C)(C)C)cc1	731030471	QYVKIPDCKIDHOO-KRWDZBQOSA-N	409.555	5.368	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)o1	734306708	QLXYUEWTPODRHK-NDENLUEZSA-N	406.482	5.903	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(F)c2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	734706801	XMIAAQKBXULSHK-CQSZACIVSA-N	404.388	5.362	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)nn1	736069608	RJOTZDVHFXEKBY-DEOSSOPVSA-N	419.488	5.436	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1ccc(F)c(Cl)c1)[n+]1ccc(C(CC)CC)cc1	736273904	GVBAAKTVXVYODK-UHFFFAOYSA-O	419.973	5.657	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1	736812857	KFLYNNXPHGOXAC-OAHLLOKOSA-N	408.479	5.262	30	20	HKED	
COc1cc(/C=C\C(=O)c2c(Cl)nc3sccn23)ccc1OCc1ccccc1	741843890	JIMCSJQHROJQQL-CLFYSBASSA-N	424.909	5.533	30	20	HKED	
N#C[C@]1(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCSC1	746017699	XLNTWIPFKLPECI-RUZDIDTESA-N	412.514	5.062	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	748183090	GGAGKQGHVRRKCA-ARJAWSKDSA-N	407.276	5.538	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(-c4cccc(F)c4)c(F)c3)CCO2)c1	753049807	JSSWXVMTCZTYSZ-HSZRJFAPSA-N	419.431	5.109	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](OC(=O)c3occc3COc3cccc(C#N)c3)CCO2)cc1	757513163	QUALVZDOKHJCMC-XZOQPEGZSA-N	417.461	5.116	30	20	HKED	
C#CC[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	757582114	ZIOKEHBULMZZBD-MRXNPFEDSA-N	402.441	5.129	30	20	HKED	
C/C(=C/c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	759204527	AYNLRQZSHQATEG-XSLBHYSZSA-N	420.868	5.406	30	20	HKED	
C#Cc1ccc(-c2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)cn1	762344451	ZSBOCJJGFPQJCJ-UHFFFAOYSA-N	409.232	5.274	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C/C=C\c2ccc(C(C)C)cc2)ccc1OC	764237233	JXJYXHSLVYQSML-ICTHTSFCSA-N	406.526	5.219	30	20	HKED	
CC(=O)Nc1ccc(C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F	764839097	FHGYKKSYCJBQIG-HNNXBMFYSA-N	423.284	5.263	30	20	HKED	
CC(C)(C)OC(=O)NCc1cc(NCc2cc(C#N)cs2)cc(C(F)(F)F)c1	785548794	UJRKZQABMATBCR-UHFFFAOYSA-N	411.449	5.275	30	20	HKED	
CC(=NOCc1nnc(-c2ccccc2Cl)o1)c1ccc(Br)cc1F	795246803	VEYJPGVVBLVVAU-UHFFFAOYSA-N	424.657	5.232	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc(OCc2noc(C3CC3)n2)cc1	795811521	YWZVGOYJBDRXMS-JOCHJYFZSA-N	400.482	5.277	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CSCc2ccc(Br)cc2)s1	797567660	AAADGAPRJSAJQZ-CQSZACIVSA-N	423.401	5.313	30	20	HKED	
N#CC1(CCCOC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)CCOCC1	800149419	MMBUXNJIHSIZSR-UHFFFAOYSA-N	418.493	5.004	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CCOCC1	800177974	PSFCSZJPUFOVLX-UHFFFAOYSA-N	417.864	5.529	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	805164198	KOBRXORAADIOCH-XMMPIXPASA-N	422.484	5.781	30	20	HKED	
CC(C)(O)c1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	806255838	GKDMFKKLXZZHLV-UHFFFAOYSA-N	419.456	5.148	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2OC)c1	806808577	IGJPRUMAGSDNCO-NOXFTYBFSA-N	421.541	5.059	30	20	HKED	
Cc1cc(CN[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1C#N	810173986	MJNOYBVNXXYPOA-OAQYLSRUSA-N	421.541	5.606	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(Br)nc1)c1ccc(-c2cccc(C#N)c2)cc1	810234446	COXNBIHVYBYNDP-HZPDHXFCSA-N	406.327	5.795	30	20	HKED	
O=C(/C=C\c1cn2ccc(Br)cc2n1)c1ccc(-c2ccncc2)cc1	811691114	JOOGEOMJKDXNQB-WAYWQWQTSA-N	404.267	5.055	30	20	HKED	
O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1	816063197	FZKHKDYPUQNGAV-KBPBESRZSA-N	421.268	5.704	30	20	HKED	
CC(=NOCc1nc(-c2ccc(Cl)cc2)no1)c1nc2ccccc2n1C(F)F	836977956	QGBHYHQEYJASQK-UHFFFAOYSA-N	417.803	5.076	30	20	HKED	
Cc1ccc(Nc2nn(CN(C)Cc3ccc(C#N)cc3)c(=S)s2)cc1Cl	914783345	XOEDMRAAAWDCSU-UHFFFAOYSA-N	415.975	5.341	30	20	HKED	
Cc1ncsc1C(=O)/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	915054298	WPCAKDKLEDSGPO-UTCJRWHESA-N	419.256	5.278	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)sc2cccc(F)c12	915102170	OACSVWJYBVGXPT-CQSZACIVSA-N	422.506	5.800	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1ccc(F)cc1F	916128326	ZDSZXYVCPMTIHF-ALCCZGGFSA-N	406.251	5.747	30	20	HKED	
CC(C)c1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917042953	JMOKYKWWAARXKH-MRXNPFEDSA-N	418.440	5.694	30	20	HKED	
CCCCC[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	918239690	QLFCCVWADSJHDA-OXJNMPFZSA-N	411.933	5.019	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc4ccccc4s3)c2c1C	920106629	VAYZDJSNISPSCM-ZDUSSCGKSA-N	424.576	5.277	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1	1791250615	XAHYCRBFRZOLSI-HNNXBMFYSA-N	407.539	5.189	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ccoc34)CC2)C1	1804866499	ALFHKNYIKOAWJH-UHFFFAOYSA-N	422.569	5.270	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830254229	XOCNBANZXVGNBN-GOTSBHOMSA-N	400.607	5.121	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C	10170558	BPSFORRDLJZZGH-UHFFFAOYSA-O	420.602	5.278	30	20	HKED	
N#CCSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1	15222854	UAYLPRYKFQSEFT-UHFFFAOYSA-N	413.692	5.649	30	20	HKED	
C=CCn1c(SCc2cc(F)cc3c2OCOC3)nnc1-c1ccc(Cl)cc1	16253714	ZIWBXRGEVVVFSQ-UHFFFAOYSA-N	417.893	5.082	30	20	HKED	
COc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(Cc4ccccc4)s3)s2)cc1	21565170	DQDOXELKKAZWJM-UHFFFAOYSA-N	422.535	5.206	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(c2ccccc2)c2nc(C)cs2)cc1OC	22884034	CIONIZPQPPOFEN-ACCUITESSA-N	406.507	5.403	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	41557425	VJBCIQPHRDPFJY-IBGZPJMESA-N	412.399	5.460	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)o1	55869690	NSCUOZSFWYADQZ-SFHVURJKSA-N	414.383	5.154	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1	63962299	CTIQZLOEVGWSDM-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CC(C)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc([N+](=O)[O-])cc1	236704184	IIZBPHIWOZQPEB-UHFFFAOYSA-N	401.466	5.070	30	20	HKED	
C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(NC(=O)Cc2ccccc2F)c1	301170167	JUPCGUMMZSVDEY-CQSZACIVSA-N	408.864	5.100	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl	303414173	VRTWFUADRDJFAK-NSHDSACASA-N	404.322	5.979	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccc(C#N)cc1	303720906	RRVKBGFEMIQHAQ-QGZVFWFLSA-N	414.509	5.857	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303933087	XMXDZUVMYRCMHX-JTQLQIEISA-N	421.303	5.227	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1	431769199	BESNARJSXYKUEM-DNVCBOLYSA-N	400.320	5.244	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)cc1	434068137	MGLJDIXZDKEEQH-UHFFFAOYSA-N	405.420	5.086	30	20	HKED	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	435675491	WJTYMNQZDXBKLZ-JOCHJYFZSA-N	415.493	5.156	30	20	HKED	
C[C@@H](S[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(C#N)cc1	437276135	MWNYRTKORDYUJC-KUHUBIRLSA-N	402.466	5.149	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](CCCO)c2ccccc2)cc1F	438663486	IAEMSEHPHFYKME-OAQYLSRUSA-N	419.456	5.125	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2SC)cc1	440934706	UAHIUTLEKTYSPG-KRWDZBQOSA-N	409.555	5.105	30	20	HKED	
N#CCCCn1cc(C(=O)NCc2ccc(Oc3ccccc3)nc2)c2ccccc21	444144386	VMFBMXUVFMPMBY-UHFFFAOYSA-N	410.477	5.062	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)c1ccc(Br)s1	463461718	QARYZKDSMXRPHG-JTQLQIEISA-N	404.782	5.544	30	20	HKED	
COc1cc(C#N)ccc1CNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	464088402	GCNGQHBDNMKPGQ-UHFFFAOYSA-N	409.848	5.224	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1C(F)(F)F	465760184	WMORGDILEOGWHW-CVAIRZPRSA-N	401.432	5.248	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)o1	465894141	UEMSUBGFSJMLLN-CBNMVNINSA-N	407.514	5.087	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cncc(-c3ccc(C)cc3)c2)cc1	466311102	HDGSXYVBOQSQEB-UHFFFAOYSA-N	411.505	5.124	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)Nc1ncccc1OCCCC#N	466603779	FZHRVVSMOWSNDJ-UHFFFAOYSA-N	416.481	5.296	30	20	HKED	
CC(C)Cn1c(SCCCSCC#N)nnc1-c1ccc(Cl)cc1Cl	466624083	ATSLWKOKBWBEHY-UHFFFAOYSA-N	415.415	5.647	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@]2(C)Cc2ccccc2)cc1	467170642	IPDFAOYUYPGUOJ-SANMLTNESA-N	417.553	5.130	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)cc(Cl)c1	468828268	CXBXHNIZSAHUHY-CQSZACIVSA-N	402.325	5.749	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1	476601938	LJNADRFFSJIJHT-RDTXWAMCSA-N	414.349	5.513	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1cnc2ccccc2n1	483232801	HOMXVPVHZKOLRM-LJQANCHMSA-N	413.864	5.352	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1	484309054	PKRXYUXXTAUHEE-IBGZPJMESA-N	404.457	5.423	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	484566984	NKYXECRYLRATRX-GOSISDBHSA-N	423.419	5.613	30	20	HKED	
COc1cccc(C(NCc2ccccc2C(C)(C)C#N)c2cccc(OC)c2)c1	486579157	XJPJNSZLXXPLHU-UHFFFAOYSA-N	400.522	5.384	30	20	HKED	
Cc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1NC(=O)c1ccco1	487598259	XHFJQYGGDGVPAC-HXUWFJFHSA-N	401.466	5.005	30	20	HKED	
C[C@@H](SCc1ccc(F)cc1C#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	488492613	LZYOKGLRQBCZFI-SNVBAGLBSA-N	416.827	5.630	30	20	HKED	
C=CC[C@H](C(=O)Nc1cc(Br)ccc1OCCOCC)c1ccccc1	489438458	HJDRPHCTIRTZRB-SFHVURJKSA-N	418.331	5.163	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)N[C@H](c3c[nH]c4ccccc34)C(F)(F)F)CC2)cc1	490787373	ZURNHDWIGLEOIA-OAQYLSRUSA-N	424.426	5.142	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	498957777	LGKDESBKFUQPCN-MRXNPFEDSA-N	402.585	5.100	30	20	HKED	
C=CCN(C(=O)c1snnc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	502946724	NJTAJKJXAWDAJN-UHFFFAOYSA-N	411.339	5.110	30	20	HKED	
N#C[C@@H](NC(=O)c1occc1COc1ccccc1)c1ccc(Cl)c(Cl)c1	505911777	GDJGDSCGOXZISO-GOSISDBHSA-N	401.249	5.160	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1	511150714	PNMFAKJASRPMOM-UHFFFAOYSA-N	421.884	5.486	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c(F)cccc1F	511392337	VFBLZIVSVMXLRH-MRXNPFEDSA-N	421.447	5.493	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccco2)C2CCCC2)c1	513515333	UMMMBHZAKVGWDZ-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
CSC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1COc1ccccc1Cl	515404408	JZRSZPONWMMJEU-NRFANRHFSA-N	414.914	5.040	30	20	HKED	
C=CCN(C(=O)CCc1ccc(OC)c(Cl)c1)c1nc(-c2ccccc2)cs1	516462842	GKIDLEHGFZKNFZ-UHFFFAOYSA-N	412.942	5.624	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1	519426230	KBXOKJBFBDYXHZ-CQSZACIVSA-N	423.563	5.631	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	522192162	IYYBDTXVIMFDIF-UHFFFAOYSA-N	412.820	5.723	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	524387474	GTYZAAUIKZRRCB-UHFFFAOYSA-N	400.478	5.106	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1	524565590	AFVVOVSIVZNIMK-GOSISDBHSA-N	421.566	5.374	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1c(C)noc1C	533855870	WMGDNLUJGDCESJ-NRFANRHFSA-N	418.497	5.323	30	20	HKED	
CC(=O)N(C)c1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	535600201	WSFSBTMRMPIRBI-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
Cc1ccc(-n2nc(C)c(NC(=O)CSc3cccc(Cl)c3C#N)c2C)cc1	540046347	JTOHVMAXVPGKSS-UHFFFAOYSA-N	410.930	5.053	30	20	HKED	
C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542926909	AWDFSKZJPZIRFS-GOSISDBHSA-N	411.530	5.208	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)n1	543873982	BXGNSUYSHIYLNG-UHFFFAOYSA-N	409.635	5.096	30	20	HKED	
C[C@@](C#N)(NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C1CCCCC1	550351339	XTWFGXWPYSXRBL-IBGZPJMESA-N	409.477	5.226	30	20	HKED	
C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	550847544	GVDWFRAOQJVCMG-QMMMGPOBSA-N	409.305	5.527	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)[C@@H]1CC[C@H](C(F)(F)F)C1	552142306	SPPKZTQOEIXVDU-JFGNBEQYSA-N	423.275	5.283	30	20	HKED	
CCSCc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1	558374948	WJLCNYCLJKKKBC-UHFFFAOYSA-N	413.518	5.026	30	20	HKED	
N#C[C@H](C(=O)c1scnc1C1CCCC1)c1nc(-c2ccc(Cl)cc2)cs1	558526219	JCZZNNVRVDMXGK-OAHLLOKOSA-N	413.955	6.068	30	20	HKED	
CCOc1ccc(Br)cc1-c1noc(C[C@@H](CC#N)c2ccccc2)n1	561880555	NHLKBNVHIUQLBR-OAHLLOKOSA-N	412.287	5.138	30	20	HKED	
CCCc1c(NC(=O)N(C)c2ccc(OC)c(Cl)c2)cnn1-c1cccc(C#N)c1	562537621	YHJVCAZZMDKEMK-UHFFFAOYSA-N	423.904	5.027	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H](c1ccccc1)C2	564260637	ZHDQAPJPESDBAV-QHCPKHFHSA-N	401.441	5.037	30	20	HKED	
N#Cc1cc(F)c(Sc2nnc(-c3ccccc3Cl)o2)cc1Br	584198156	WGVVOMOWCQTSLC-UHFFFAOYSA-N	410.655	5.314	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc(C2(c3ccc(C#N)cc3)CC2)n1	589153473	WAYOKKWYMCNJIC-FQEVSTJZSA-N	407.901	5.233	30	20	HKED	
N#Cc1ccc(CNCc2ccnc(Oc3ccccc3F)c2)c(C(F)(F)F)c1	589317598	XNXNVPMVIKBGKM-UHFFFAOYSA-N	401.363	5.193	30	20	HKED	
CC(C)n1ncc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cnc21	589634080	BFPCRHOMONVVLI-INIZCTEOSA-N	421.570	5.349	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1	603971091	KKNLYHVWRRYKOM-UHFFFAOYSA-N	402.519	5.914	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c2ccccc12	609371049	VRYMSVIWBKKCSO-OAHLLOKOSA-N	410.926	5.905	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)c(C)c1	609427874	ZGFDBPZHMOIFOQ-MRXNPFEDSA-N	407.564	6.074	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1	609521877	URBSETLYTVRMAB-UHFFFAOYSA-N	419.575	5.180	30	20	HKED	
CC[C@@H]1c2ccccc2CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609626342	DEZDBBANNZJYRN-OAQYLSRUSA-N	402.523	5.147	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2Cl)cc1	609638695	BFAQMILETSWRAO-INIZCTEOSA-N	421.888	5.139	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F	610240152	IDLOSMHXMZDZDK-QFYYESIMSA-N	401.215	5.497	30	20	HKED	
COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	610324212	UIHHCXHNJQRPOP-JOCHJYFZSA-N	415.449	5.004	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1C(F)(F)F	610331014	LQXSVIBSGWINBJ-UHFFFAOYSA-N	417.431	5.159	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)cc1	613319244	WXOGHTRMTNEGRB-FQEVSTJZSA-N	424.529	5.672	30	20	HKED	
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cnn(CCC#N)c1-c1ccccc1	617446301	VPKQNVSJYQTLRG-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
FC(F)Oc1ccc(NN=Cc2cc(Cl)ccc2OCc2cccnc2)cc1	726426941	NWQXKQOEAOLZBD-UHFFFAOYSA-N	403.816	5.361	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=S)Nc1ccc(C#N)c(Cl)c1	726478031	DZGNGHFGYIIQFG-UHFFFAOYSA-N	422.779	5.582	30	20	HKED	
COCCOc1cccc(/C=C/C(=O)c2sc(-c3ccc(OC)cc3)nc2C)c1	727976023	ZYLQARLIRQMGQP-KPKJPENVSA-N	409.507	5.048	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)NCc3ccc(OCC#N)cc3)cc2)cc1	728393318	TWRSWEVLPGVJRT-UHFFFAOYSA-N	419.506	5.070	30	20	HKED	
COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	729534913	FRHLUOKLIBKZAX-INIZCTEOSA-N	418.518	5.056	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1	729568485	RDUULZGHXJBTHJ-UHFFFAOYSA-N	409.555	5.524	30	20	HKED	
N#CCOc1ccc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1	729685263	BAHGDGKIMSXMBO-UHFFFAOYSA-N	423.856	5.233	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2csc3ccccc23)cc1	730062030	FKHXZCORKGWEEK-KRWDZBQOSA-N	419.550	5.598	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc34)n2)cc1	730922684	HITDMBSCXKHFNX-DNVJHFABSA-N	419.509	5.815	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@@H]2c2ccccc2)ccc1OC	733654192	PUAOLQSFUMJZAQ-FCHUYYIVSA-N	421.541	5.203	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc(Cl)c1OC	741852109	JRBPSAPGYOFMLN-YFHOEESVSA-N	421.884	5.009	30	20	HKED	
O=C(/C=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1c(Cl)nc2ccccn12	743056111	POPISBJCFPCFSU-IOBAAEILSA-N	417.292	5.095	30	20	HKED	
C#CCOc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc1	743152132	LJPYOJRGMYYHDH-IBGZPJMESA-N	414.505	5.599	30	20	HKED	
CC(=NNc1cnnc2ccccc12)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743440381	KSHSQTRWLQQMNO-UHFFFAOYSA-N	411.296	5.267	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@]3(C)CCc4ccccc4C3)n2)cc1	744063180	YVRGOMAMTIKJPX-GBXCKJPGSA-N	402.519	5.190	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)c3ccc(OC)cc3)n2)cc1	750690106	BVZCEWIBCRKGFC-FOIQADDNSA-N	406.507	5.197	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4ccccc4n3)n2)cc1	752173457	DQXPZTQZTVYNHY-DUQGCJEPSA-N	406.470	5.120	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])s3)ccc21	754689725	MQEYJRCETGOJKC-DHZHZOJOSA-N	418.474	5.128	30	20	HKED	
COc1c(F)cc(F)cc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	761688669	XLDVBNLJHFYKJP-HTQZYQBOSA-N	420.300	5.004	30	20	HKED	
COc1cc(/C=C(\Cl)c2nc3cc(C(F)(F)F)ccc3o2)ccc1OCC#N	764434770	ZEOLZDWQGKDMOX-JYRVWZFOSA-N	408.763	5.494	30	20	HKED	
CC#CCCSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	764953626	FPCQRGVRKUGAJJ-GHRIWEEISA-N	416.955	5.300	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)O[C@H](c2ccccc2)c2nccs2)o1	770191745	LAFXIBWTUGECFJ-OAQYLSRUSA-N	416.458	5.133	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1	770338240	UXYSMLYZIPUTEE-OXJNMPFZSA-N	400.954	5.129	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cscc2Cl)c1	771884878	OGTXHAOUSPKLAA-UHFFFAOYSA-N	406.964	5.175	30	20	HKED	
Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1ccccc1-c1ccccc1C#N	773617892	CNTXFEVCIUICKO-SANMLTNESA-N	419.484	5.263	30	20	HKED	
N#Cc1cc(NC(=S)Nc2ccc3c(c2)OCCCO3)ccc1Oc1ccccc1	777477942	ZNIFJOBVASDUJK-UHFFFAOYSA-N	417.490	5.321	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2SCC#N)nn1-c1ccc(Cl)cc1Cl	777485389	VWRHUINJMUQORK-UHFFFAOYSA-N	417.321	5.356	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNc2ccc(F)cc2OCC#N)on1	777939942	IUMKEOOBRIXXIL-UHFFFAOYSA-N	403.413	5.157	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCC2	780484887	GLWKYAWGJJIGHW-DHIUTWEWSA-N	413.525	5.319	30	20	HKED	
N#Cc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1	781447066	CACUGYUNUNUOEE-SFHVURJKSA-N	403.894	5.243	30	20	HKED	
CC(=O)Nc1ccc(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)cc1	781579419	VBZUGGVOIADJSN-UHFFFAOYSA-N	401.495	5.153	30	20	HKED	
CC(C)(CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)Cc1ccc(Cl)cc1	783077661	WOCWPQBVLGAXLF-MRXNPFEDSA-N	403.309	5.300	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)n1	788855084	LQMBYVBYQOOOQG-QHCPKHFHSA-N	420.582	5.022	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccccc1Br)c1nccc2ccccc12	792094558	FWOFUYPHGQTKAF-INIZCTEOSA-N	411.324	5.356	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1C=NNc1cc(C)c2cc(Cl)ccc2n1	794889363	ZASRGHAKFXSOPO-UHFFFAOYSA-N	411.296	5.185	30	20	HKED	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	795250059	GFAGUQUPIWDTBM-ZHRRBRCNSA-N	418.880	5.214	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1	797567142	DMLMDLSLHAOLGE-IAERKFLBSA-N	416.546	5.866	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCSc2ccc(Br)cc2)s1	797568636	KLMGURRYEIHONV-CQSZACIVSA-N	423.401	5.562	30	20	HKED	
C=CC[C@H](CC)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl	798554375	PGIRXSKGSUIJHP-NSHDSACASA-N	421.797	5.264	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3cccc(Cl)c3)n2)cc1	808980788	OULXJWQJXTYZLB-GOSISDBHSA-N	423.950	5.694	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccccc1	814659863	QHHVQMGPGZFLPB-DEOSSOPVSA-N	404.558	5.030	30	20	HKED	
COc1ccccc1C1(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)CCCCC1	816093597	SMDNLLKLYMEAPF-INIZCTEOSA-N	402.416	5.187	30	20	HKED	
CC(C)(c1ccc(C#N)cc1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	904506340	KKLQTLGUKVWQGH-UHFFFAOYSA-N	400.413	5.261	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(-c2noc([C@H](C#N)CCc3ccccc3)n2)cc1	904719273	RHVVHYVAHQZCQF-FQEVSTJZSA-N	418.497	5.001	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1ccc2ccccc2n1	916848689	GGBKVYUEAAHQJW-DHINHOHASA-N	400.787	5.797	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccccc3)n2)cc1	916956398	ZZEYLDDGDBCLNV-HRAATJIYSA-N	417.534	5.214	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	920144078	XILZBNYTCCYENL-JXFKEZNVSA-N	420.534	5.587	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828344148	NAGOESZHPHEQNZ-ZEQRLZLVSA-N	412.618	5.121	30	20	HKED	
N#Cc1ccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1	6128978	PEYVDOBPQWPDIF-UHFFFAOYSA-N	416.481	5.149	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2OC)nnc1-c1ccccc1OC	7773823	TVAVNVQQEDVUJW-UHFFFAOYSA-N	401.919	5.094	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccccc2)c(C)s1	10832951	LQJYIHVKPHJYMC-UHFFFAOYSA-O	401.964	5.357	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2cccc(Cl)c2)cc1	22730561	XGNXHLREJRGLHW-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)o2)cc1C	24783337	ZIAJFBLGGIQNOC-UHFFFAOYSA-N	420.538	5.009	30	20	HKED	
Cc1cccn2cc(COc3ccc(C(=O)Nc4ccc(C(C)(C)C#N)cc4)cc3)nc12	29153329	QTGREJZVQFAJLA-UHFFFAOYSA-N	424.504	5.275	30	20	HKED	
C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3ccc4ccccc4c3)nnc12	59833208	BIVIUWZMRWBCTM-MRXNPFEDSA-N	412.518	5.237	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)s2)c(C)c1	64100336	JFZFWNYMUJMTRF-MRXNPFEDSA-N	403.532	5.835	30	20	HKED	
N#C[C@@H](C(=O)c1csc2c1CCCC2)c1nc(-c2c(F)cccc2F)cs1	64714520	BZOZJFHVNLJETA-LBPRGKRZSA-N	400.475	5.519	30	20	HKED	
C=C(Br)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1	96401826	YOADOFQSEXLEEX-GZTJUZNOSA-N	417.303	5.211	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(CC2CCCC2)CC1	109372507	MDCYSMIYFWVOCM-UHFFFAOYSA-N	419.594	5.094	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCSc3ccccc32)cc1C	150335419	DXBSETRWCCSYOU-NRFANRHFSA-N	416.550	5.048	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](c2ccccc2)c2ccccn2)c1	237840225	CFOIWJQEHQBPJB-HHHXNRCGSA-N	405.501	5.411	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c1	303285652	JRRUNMGADHMGJZ-UHFFFAOYSA-N	402.454	5.296	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1	303734321	WHQNIQHLXBNLBR-LJQANCHMSA-N	402.475	5.187	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cc(Cl)ccc1Cl	426749022	BYHLATNZSPSRPI-UONOGXRCSA-N	422.381	5.677	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cs1	433799903	TXYYUNRYCOTEQT-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
COc1ccc(-c2ccn(-c3ccc(S[C@@H](C)c4ccc(C#N)cc4)nn3)n2)cc1	436246935	RQMRFSHKEOFYNF-INIZCTEOSA-N	413.506	5.063	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1	436328810	JWJSKXJEJNGTKW-UIOOFZCWSA-N	421.500	5.049	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(N2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1	442285192	PKKGREOBGGLXQA-OAQYLSRUSA-N	423.523	5.373	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccoc1C(F)(F)F	463704359	DCRXRGQIZJQYLL-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F	463953548	WKUDQGHRNQFBGG-SNVBAGLBSA-N	400.372	5.488	30	20	HKED	
CCSCC[C@H](C)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	465103349	ONVBQOFSIQYQNC-HNNXBMFYSA-N	402.947	5.608	30	20	HKED	
COc1cccc([C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccccc2Cl)c1	466045719	WAXDEIYTEFFFPY-QHCPKHFHSA-N	419.912	5.151	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1OC	467480930	LHIZQTAFQKFXGD-OAQYLSRUSA-N	419.525	5.168	30	20	HKED	
C=CCN(C(=O)CC1CCC(=O)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	475468009	LRNLCETXUJFXNU-UHFFFAOYSA-N	423.365	5.785	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](c3ccccc3)C2)cc1	476437633	NYDCCPIAXDLUFN-QFIPXVFZSA-N	411.505	5.353	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(CCC(F)(F)F)c1	477186597	JXSFFBBOLSDXAO-UHFFFAOYSA-N	408.468	5.569	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C1c2ccccc2-c2ccccc21	477777168	YFJKXTCWESWIBP-KRWDZBQOSA-N	413.546	6.315	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1csc(C(C)C)n1	481336620	GPNLMTLDICPIIJ-UHFFFAOYSA-N	400.573	5.224	30	20	HKED	
CC(C)Oc1cncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	481795507	LRFBRISBAOJTMZ-UHFFFAOYSA-N	409.433	5.146	30	20	HKED	
COc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccc1OCC(F)(F)F	481913586	OUILQHAARCVFCC-LJQANCHMSA-N	404.432	5.065	30	20	HKED	
N#Cc1cnc(C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)c(Cl)c1	485776303	VHLFVAAXBKQSCE-HXUWFJFHSA-N	407.926	5.066	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](CCCC#N)c1ccccc1)O[C@H](C)C2	487456603	VBKANDRDRLSDTG-XEDHWARRSA-N	418.537	5.064	30	20	HKED	
N#Cc1cc(F)ccc1CSCC(=O)Nc1c(Cl)cccc1C(F)(F)F	488587087	NWKYBXMYIAXXGJ-UHFFFAOYSA-N	402.800	5.241	30	20	HKED	
COc1ccc([C@H](NCc2cccc(C#N)c2F)c2ccc(C(F)(F)F)cc2)cc1	492517957	ZDSCEIHAIOUKGL-JOCHJYFZSA-N	414.402	5.604	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)sc2c1CCCC2	499328982	UOLDXFMAIIRJMM-LSDHHAIUSA-N	401.329	5.003	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(C(F)(F)F)cc1	500237694	LTSFIYLXOCQMOD-LLVKDONJSA-N	423.328	5.918	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1NC(=O)Nc1ccccc1	505658142	FYXPEMYWEMUAPW-NRFANRHFSA-N	418.884	5.287	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1	506071166	OWMPYDFDYISHMR-UHFFFAOYSA-N	416.521	5.016	30	20	HKED	
Cc1cc(Cl)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C	510300294	VIFYGMXHSJUELJ-UHFFFAOYSA-N	404.897	5.854	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)n1	510428739	YKDBPORGEAYAAH-UHFFFAOYSA-N	416.268	5.082	30	20	HKED	
Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1C	510760765	FJCJWUACWHWBRA-UHFFFAOYSA-N	415.541	5.263	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1	510982643	GHGWOHOQVLDCND-QHCPKHFHSA-N	418.541	5.045	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2)c1	511871456	CZGMACWOARFUNZ-QGZVFWFLSA-N	415.518	5.443	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCCc2ccc(Br)s2)c1	515616002	JWAMJSIIZUYNDU-UHFFFAOYSA-N	407.333	5.155	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12	517455429	IDHPLJQTHHOJEK-CQSZACIVSA-N	420.538	5.557	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C	518030936	XSQBVQWFIAMHPW-KRWDZBQOSA-N	405.498	5.304	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	518738951	GWMHTIICOUJPIX-HUUCEWRRSA-N	406.473	6.232	30	20	HKED	
CCOCc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	519053736	QLOGEYQUKDUCSI-UHFFFAOYSA-N	401.466	5.209	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(OCc4cccnc4)c3)cc2)cc1	519992084	JMZHSZOADWBVIQ-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(CCc3ccc(F)cc3)C3CC3)cc2)cc1	522581388	IKDFRDKZYCTRMP-UHFFFAOYSA-N	414.480	5.531	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(Oc3cnccn3)c2)sc2c1CCCCCC2	524242307	KVXUAHBEAYLHOF-UHFFFAOYSA-N	404.495	5.113	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ncc(-c2ccc(F)cc2)o1	532629732	XBZVVIRFULMIDM-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)c1ccc(Br)cc1	533883890	FJXDXSLUWLPJBK-SFHVURJKSA-N	419.706	5.028	30	20	HKED	
Cc1cc(NCCCC2(C#N)CCOCC2)ccc1-c1ccc(Br)cc1	540810724	ZXNJAGCFWJOCRP-UHFFFAOYSA-N	413.359	5.937	30	20	HKED	
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2cccc(Cl)c2C#N)o1	541172647	AGGZRCOUHGMKQE-UHFFFAOYSA-N	408.870	5.517	30	20	HKED	
COc1ccc2c(c1)C[C@H](C)N(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]2C	542878243	FSLHMOWFNUCFBE-KSZLIROESA-N	423.582	5.036	30	20	HKED	
N#Cc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)ccc1Cl	543437837	ZHCLQHYDEKECLM-UHFFFAOYSA-N	416.333	5.495	30	20	HKED	
FC(F)(F)c1cc([C@@H](NCc2nccs2)C(F)(F)F)cc(C(F)(F)F)c1	543981230	KTQWQRHVYNVBCH-LLVKDONJSA-N	408.289	5.574	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)sc2ccc(C#N)cc12	555979575	ZUDVHEIWPWFBNI-OAHLLOKOSA-N	400.290	5.383	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1F	558501847	PYQBBTDENRYFDH-QGZVFWFLSA-N	409.408	5.038	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	561886789	NHWWZLPZBIHRGS-UHFFFAOYSA-N	401.510	5.088	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)c1cccs1	564143260	FIJYEXWXTYDZBN-QFIPXVFZSA-N	403.551	5.525	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cc(F)c(F)cc2N2CCCCC2)C2CC2)cc1	571813237	XSEDHTUPKOHSDC-UHFFFAOYSA-N	410.468	5.023	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3)cc2)ccn1	578054626	CIWQTLZKYJUTKX-HSZRJFAPSA-N	416.456	5.644	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(c3cccc(Cl)c3)CC2)cc1	580367396	UMJMHAGVKLUECC-UHFFFAOYSA-N	423.944	5.008	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1	589319175	ABHFRQDNAMBPRT-HNNXBMFYSA-N	401.432	5.204	30	20	HKED	
CCOc1cc(CNc2cc(F)cc(C#N)c2)cc(Br)c1OC(F)F	600862514	XIODQOVJLVAQJS-UHFFFAOYSA-N	415.209	5.072	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603689240	DNCSQHLSHOIBHF-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603766276	PWTBDWYHOAGQCH-SFHVURJKSA-N	409.942	6.136	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc(-c3ccccc3)nc21	603872695	DVMICIRFUKCHMI-UHFFFAOYSA-N	423.520	5.733	30	20	HKED	
Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	604027187	MLKLBHXQHVMBSZ-INIZCTEOSA-N	408.889	5.407	30	20	HKED	
C[C@@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	606168294	CVFIHAFAEVIKRZ-AWEZNQCLSA-N	413.361	5.386	30	20	HKED	
N#CCSCC(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1	609374257	XYENMSBWFUKCGI-UHFFFAOYSA-N	411.708	5.090	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)Sc1ccccc1	610320100	QTQLDYOZPMGNPI-INIZCTEOSA-N	404.495	5.048	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1c(C)nn(-c2ccccc2)c1C	611737123	YIRICSZCQFPCOO-UHFFFAOYSA-N	414.962	5.102	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	612314687	YYFXSSHWBQJABG-OAHLLOKOSA-N	400.400	5.206	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(F)(F)F)cc3)n2)cc1	613317995	CMGQQTGUGSHKJA-QGZVFWFLSA-N	416.424	5.550	30	20	HKED	
N#C[C@H](C(=O)c1occc1CSc1ccccc1)c1nc2ccccc2n1C(F)F	613404611	UIMHMTVNZFTHMK-MRXNPFEDSA-N	423.444	5.807	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3cc4ccccc4o3)cn2)cc1	614808564	LQPXRTMSJUEVNZ-UHFFFAOYSA-N	421.416	5.134	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(-c3cccnc3Oc3ccccc3)no2)cc1	614970084	USCOYNPLBPFLJW-NRFANRHFSA-N	409.449	5.137	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OCC)CC1	670199418	CMSMLXCVIPBYBY-IBGZPJMESA-N	420.557	5.153	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674445536	PBXWXQXJTCBHEV-VXGBXAGGSA-N	411.342	5.367	30	20	HKED	
COCc1cc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2cc(F)ccc2n1	685904658	FIWPOPBOENEMAV-QWRGUYRKSA-N	410.333	5.087	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1Cl	726901141	ABFKEFHAYQLILR-UHFFFAOYSA-N	423.925	6.130	30	20	HKED	
C#Cc1cccc(NC(=S)N(CCc2ccc(OC)cc2)Cc2ccccc2)c1	727086702	RCVWMTHBLJSEME-UHFFFAOYSA-N	400.547	5.118	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	729320069	ULXZPMUHXFRBFX-FQEVSTJZSA-N	417.921	5.863	30	20	HKED	
COc1cc(Cl)ccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	730895910	MIHBSLBFMMUEDB-OAQYLSRUSA-N	405.885	5.326	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc(C)c1OC(F)F	730920600	PMFMZJIIPZRBBL-GOSISDBHSA-N	408.404	5.019	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2cc3ccccc3s2)ccc1OC	733648299	NXQPRRJWGDPUQJ-CRAIPNDOSA-N	423.538	5.151	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F)c1ccncc1	734661707	PWFLLDJSLBRGPM-RTBURBONSA-N	405.464	5.599	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(C)cc1	739159899	OSDDQQZNFATNLO-UTKZUKDTSA-N	404.535	5.887	30	20	HKED	
CCOc1c(Cl)cc(CNCc2cccc(-c3ccc(C#N)s3)c2)cc1OC	740010442	CQMKDFIFCAQQFH-UHFFFAOYSA-N	412.942	5.637	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3c(O)cccc3C2=O)cs1	742435346	TYYSXSFSYPUSPI-KAMYIIQDSA-N	424.909	5.399	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)/C=C/c3ccc(Oc4cnccn4)cc3)c2C)c1	743056262	SONPCOSLNDTZAY-DHZHZOJOSA-N	410.477	5.276	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCSc4ccccc43)n2)cc1	744061463	LGWHALUQTSILSY-QZTJIDSGSA-N	406.532	5.275	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1)c1ccncc1	745828334	SBSQZCSYGDORSB-WZONZLPQSA-N	401.510	5.435	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1	747196953	RBDWWRSVTXUNOJ-KKSFZXQISA-N	412.461	5.541	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)c1	747562322	SOGPJHLQXGPNOX-RUZDIDTESA-N	408.501	5.237	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1	755881988	KADIUAXXEHLGDV-NRFANRHFSA-N	421.541	5.255	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCSc2nccs2)cc1	758536045	ORVVBBCDSZEQGA-IBGZPJMESA-N	408.552	5.102	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(OCC(F)(F)F)nc2)cc1	764927225	NNFALATXNOAFMJ-CQSZACIVSA-N	400.828	5.005	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Br)cc2F)cc1OC(F)F	767738388	VSASHTZRETWMMI-KXFIGUGUSA-N	401.178	5.094	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCCc2sccc21)c1nc(-c2c(F)cccc2F)cs1	771593546	BKNCLBUXTUDSHT-OLZOCXBDSA-N	400.475	5.446	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(Br)cc(Br)c2)cc1	773292921	SFPQHZJHQFNHPL-UHFFFAOYSA-N	422.120	5.081	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ccc(N(C)C)cc2)CC1	775615040	QBKAHCLPNMLDHH-GOSISDBHSA-N	422.598	5.558	30	20	HKED	
N#C[C@@H](OC(=O)c1csc(-c2cc(Br)cs2)n1)C1CCCCC1	776379886	CHJZTBFRQLELAT-CYBMUJFWSA-N	411.346	5.263	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)CCCCc1ccc(Br)cc1	780162009	VTFNGSCHWXGRSA-OAHLLOKOSA-N	401.304	5.091	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)s1	780576123	JCIWPCMKVQHAPD-GOEBONIOSA-N	407.499	5.015	30	20	HKED	
C[C@@H](OC(=O)CCC(C)(C)C(=O)O[C@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1	783989520	UZXDEPKNYKCDNX-QZTJIDSGSA-N	418.493	5.145	30	20	HKED	
C[C@@H](CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1c[nH]c2ccccc12	786473518	MXJRLPIQTMVXPN-VIFPVBQESA-N	417.296	5.376	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(Br)cs2)ccc1OC	786854420	NQJWHSZIZIOJNC-IUODEOHRSA-N	409.349	5.051	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NCc1cn(CCC#N)nc1-c1ccncc1	789748147	VUFIRIZOTRLDPW-UHFFFAOYSA-N	405.571	5.670	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	791142934	UYOQRJUDULLNRV-UHFFFAOYSA-N	422.484	5.113	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2C1	793479390	HCEZOZHLGKNEIT-FQEVSTJZSA-N	419.525	5.006	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	801894774	BATXBUFRGOCBFH-MRXNPFEDSA-N	401.743	5.015	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	810202485	BZUZQSBZCOZPMX-MBSDFSHPSA-N	415.493	5.092	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)ncc1Br	812986146	QPWJOWGDCKGIBS-SNVBAGLBSA-N	410.724	5.002	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(Br)c1	813060301	VAVYBUSABGZKLA-LIRRHRJNSA-N	421.294	5.053	30	20	HKED	
C=CCc1cc(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)cc(OC)c1O	864003178	HTUVLDPFRALWAN-UHFFFAOYSA-N	414.933	5.021	30	20	HKED	
CC(C)[C@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1Cl	915384764	LMNLWSXABOQTAP-SONCPKABSA-N	417.292	5.085	30	20	HKED	
FC(F)Oc1ccc(Cl)cc1C=Nn1c(S)nnc1-c1ccccc1Cl	915944476	KFQTTWUYDLTARG-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cc2)CCC1	1789188667	BBUKILXQNDFCQA-YUXAGFNASA-N	407.558	5.031	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3)CCC2)cc1	1791247126	LDQCUQWMFHRRRO-SFHVURJKSA-N	408.567	5.125	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cccc4OC)cc3)CCC2)C1	1792144523	LGZDWNNWVCZFAI-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1	1831373842	IDRINXDTTDGZIY-GHTZIAJQSA-N	416.993	5.094	30	20	HKED	
Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c1	10167498	PZRQZJYECJVGKA-UHFFFAOYSA-O	405.543	5.162	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1cccc(O)c1	10174281	PDHXTECNBRPUQE-UHFFFAOYSA-O	417.963	5.008	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(-c2ccccc2)cs1	24013022	YKRCCHREBFPYRU-MRXNPFEDSA-N	423.563	5.246	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	108050110	CBHYICRXZZSQGQ-UHFFFAOYSA-N	410.411	5.324	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(C)c(SCC#N)s3)s2)c(C)c1	109402420	GLPWGCSYZWMMBZ-UHFFFAOYSA-N	414.581	5.368	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncccc1C(F)(F)F	428089678	IPVBDJPGVNOPAJ-UHFFFAOYSA-N	420.460	5.058	30	20	HKED	
COc1ccc(Oc2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cn2)cc1	432954837	JVMOGUNKEALIRU-QFIPXVFZSA-N	416.481	5.439	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(CO)CC3(CCC3)C2)cc1Cl	433250069	YLNALNFBDWFXOR-HXUWFJFHSA-N	423.944	5.060	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)oc2c1C(=O)CCC2	437459974	FMZXUCWUXLATOY-UHFFFAOYSA-N	404.397	5.162	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1F	437489386	HCKIVQOUBCKPME-UHFFFAOYSA-N	417.352	5.396	30	20	HKED	
CCCCOC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1	437964147	ORWRTOJVEXMGSH-UHFFFAOYSA-N	421.541	5.259	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2cccnc2)cc1	438053743	VBFWOAUGQWACER-KRWDZBQOSA-N	402.523	5.465	30	20	HKED	
CC(F)(F)c1cccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	439394846	HSDSOYCDCDXOKU-UHFFFAOYSA-N	421.403	5.039	30	20	HKED	
N#Cc1ccc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)c(OC(F)F)c1	442122211	FGQZLXCLFBNIJF-GDLZYMKVSA-N	412.461	5.080	30	20	HKED	
COc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1	442670563	JBPXZBYDPRGWLY-KRWDZBQOSA-N	417.515	5.432	30	20	HKED	
O=C(CCC(F)(F)F)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	443884484	WLPFSSJOCPXLSH-UHFFFAOYSA-N	422.300	5.378	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)CC3	444355582	HAIZQTCUGFSTOM-SFHVURJKSA-N	410.521	5.022	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)CCCC1(C)C	444840473	SVVWDOOYFQWVIT-JOCHJYFZSA-N	409.530	5.268	30	20	HKED	
Cc1cc(CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)ccc1C#N	447314665	VSBDBQTTWWFQJK-UHFFFAOYSA-N	400.507	5.367	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)cc1	460149651	IMLYGXZBMCUOBV-SFTDATJTSA-N	415.320	5.039	30	20	HKED	
C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc(C)s1	460776102	BNXOZCVWEYNHMI-YLJYHZDGSA-N	422.554	5.078	30	20	HKED	
C[C@@H](C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1cccc(C#N)c1	462244574	HLYQBSIKLRFALR-OAHLLOKOSA-N	417.336	5.176	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1	462798329	NMJFIPBIOYCRSZ-IBGZPJMESA-N	402.256	5.130	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1	463616011	YSABAJYYSSWESS-HSZRJFAPSA-N	416.502	5.328	30	20	HKED	
CSc1cccc([C@H](NC(=O)c2sccc2C#N)c2cc(F)ccc2F)c1	464125272	DNGLJTKUCDNSQX-SFHVURJKSA-N	400.475	5.139	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc3cc[nH]c23)cc1	466854310	HVNCIDQFGJSACG-UHFFFAOYSA-N	412.468	5.091	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1Cl	469822927	WJKJJXJEGVXQHO-GOSISDBHSA-N	422.872	5.144	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccccc3O[C@H]3CCOC3)cc2)c1	470600687	MOKPUJAPAKCIDO-NRFANRHFSA-N	415.449	5.162	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(I)c1	476085246	QQHPOKXQQNINKM-UHFFFAOYSA-N	405.279	5.395	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)o1	481270792	BFXIKHZRTXDADS-QRWLVFNGSA-N	421.476	5.044	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1ccccc1Cl	482199188	KCIXQUMTMUVZHX-CQSZACIVSA-N	410.930	5.481	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)[C@H](C#N)c3cnc4ccccc4n3)oc2c1	483230919	QNHZLVLRGWEWSS-LJQANCHMSA-N	419.440	5.542	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)c2o1	483239226	SAGWMTMURAXOOJ-QGZVFWFLSA-N	405.251	5.542	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(CCc1ccccc1)Cc1ccncc1)c1ccc(F)c(F)c1	483303941	IAXCKMNYOMBTTB-XMMPIXPASA-N	421.491	5.432	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1Cl	483654354	PFFNLYUJKXEXKS-CQSZACIVSA-N	401.869	5.253	30	20	HKED	
Cc1c(C(=O)N[C@@H](CCCC#N)c2ccccc2)sc2nc(C(F)(F)F)ccc12	487519388	ZLLRGGWLRBOBSZ-INIZCTEOSA-N	417.456	5.789	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)c2cccc(SCC#N)c2)ccc1Cl)C(C)C	487660126	UGAKQDNOFRDYAE-UHFFFAOYSA-N	415.946	5.078	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]4CCC[C@@H]43)s2)c(C(F)(F)F)c1	496312439	NVXNOGJGTALYRY-GUYCJALGSA-N	420.460	5.031	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N(Cc3ccco3)c3ccccc3C#N)cs2)cc1	500996345	JVYPLDQESQAARF-UHFFFAOYSA-N	413.502	5.359	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCC[C@H]2OC(F)F)cc1Cl	502175431	VVSLYXNTVCSBRW-QXAKKESOSA-N	419.859	5.277	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)cc1	503874028	NNIUJCYBWCXUGK-UHFFFAOYSA-N	421.525	5.511	30	20	HKED	
Cc1cccc(C2(NCC(=O)Nc3ccccc3SC[C@H](C)C#N)CCCC2)c1	506450971	ANKNJGPFBPOSOO-LJQANCHMSA-N	407.583	5.244	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCC(OC(F)F)CC2)cc1	509035544	CQBRFJPXKGOOQV-UHFFFAOYSA-N	416.424	5.096	30	20	HKED	
Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cccc(C#N)c1C	509301875	CZJNPVGBGIIVOG-UHFFFAOYSA-N	407.258	5.158	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1cccc(C#N)c1	509346950	ZGBZTBQPRWZSJW-UHFFFAOYSA-N	407.514	5.546	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1	510031032	ZSAMSGJMSPRJEX-RUZDIDTESA-N	411.505	5.290	30	20	HKED	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cccc(OCc2ccccc2C#N)c1	510822613	WETQZHFIJQKMSF-INIZCTEOSA-N	404.432	5.186	30	20	HKED	
O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	512376434	IOUQQBUUVPPTLN-IFIJOSMWSA-N	411.361	5.471	30	20	HKED	
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1sc2ccc(C#N)cc2c1C	512383729	DOLYIFHIJKVFJJ-UHFFFAOYSA-N	406.898	5.481	30	20	HKED	
C=CCn1c(SCCCCC#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	514298038	UHBLHGRVJRJLPQ-UHFFFAOYSA-N	413.543	5.545	30	20	HKED	
O=C(CSCc1cc(F)c(C(F)(F)F)cc1F)N1CCC[C@@H](C(F)(F)F)C1	514812698	PCFWBAWQMNOZFP-SNVBAGLBSA-N	421.353	5.018	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Br)c1	515195672	QAGQGOLRAKEFSN-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccncc5)cs4)cc3c2C1	516331467	SVRSAJFFPCRJBM-KUHUBIRLSA-N	412.518	5.301	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	519997002	NVZVONMNRJPVLL-HNNXBMFYSA-N	416.868	5.315	30	20	HKED	
CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Cl)cc1	523254025	JUQINRRSUWTQAS-UHFFFAOYSA-N	408.885	5.091	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(-n2ccnc2)c1	523768500	SCSQNDCUIOWIHS-UHFFFAOYSA-N	423.476	5.166	30	20	HKED	
COc1cc(CSCc2nc(C(C)C)no2)ccc1OCc1cccc(C#N)c1	523940142	XLPSNHZNVGAHCM-UHFFFAOYSA-N	409.511	5.086	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1	524707197	BZOOOUWTCROJAG-HXUWFJFHSA-N	415.880	5.738	30	20	HKED	
Cc1ccsc1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	525019860	DLDLBQACKMKNEB-QGZVFWFLSA-N	402.928	5.166	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(CCC)[C@@H](c1cccnc1)c1ccc(F)cc1F)OCC	533762009	DQDIRCRIIBQMKD-GGAORHGYSA-N	402.485	5.059	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)c1cccc(C(F)(F)F)c1	534676479	JBAAJFGADYNIJA-SFHVURJKSA-N	408.807	5.285	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	537007118	KJHUDZRBJPMSCP-UHFFFAOYSA-N	412.518	5.177	30	20	HKED	
C=CCN(C(=O)[C@@H](C)CCCOC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	537586452	LCEFZAXZZUHOIY-ZDUSSCGKSA-N	413.370	5.699	30	20	HKED	
CCN(C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1ccc(C#N)c(Cl)c1	539175053	WUZSLZXBXHFPEP-LWYUSKRHSA-N	410.867	5.713	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1OC	542017119	JLFJHPLIRSEANU-QGZVFWFLSA-N	402.494	5.102	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Cl)cc2-c2ccccc2)CC1	548808546	WIQLWZWXFZWMJX-UHFFFAOYSA-N	416.912	5.491	30	20	HKED	
CN(C(=O)c1ccc(F)c(C#N)c1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	551267462	ZBCPLPAGPSUTTP-OAHLLOKOSA-N	404.285	5.092	30	20	HKED	
Cc1ccccc1-n1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2c1CCC2	552694561	HCSYOYNMLPHKOK-IBGZPJMESA-N	424.529	5.283	30	20	HKED	
N#Cc1ccc(-c2nnc(CS[C@H](c3ccccc3)c3ccc(F)cc3)o2)cc1	554874245	HIJBQXAQHKMXQM-JOCHJYFZSA-N	401.466	5.770	30	20	HKED	
C[C@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)N(CCC#N)c1ccccc1	556961090	INSIQLMETZAGAT-KBPBESRZSA-N	408.304	5.118	30	20	HKED	
O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F	558490338	LQKCEQPWNBHIJB-GFCCVEGCSA-N	408.317	5.387	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccc(F)c(C#N)c1	560118924	HWEBBVZIMIYPBA-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
C[C@@H](N[C@H](C)c1ncc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1	569757516	QXQAHKBLCNQERF-HUUCEWRRSA-N	407.315	5.190	30	20	HKED	
C[C@@H](Sc1cccc(F)c1C#N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	580150622	QOTPROABSDQJIP-MRVPVSSYSA-N	403.693	5.777	30	20	HKED	
N#C[C@H](C(=O)c1conc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	580652751	GZMQRQWSSDFOOQ-GFCCVEGCSA-N	404.278	5.472	30	20	HKED	
C=CCN(C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc2c(s1)CCCC2	588785742	UTSIHEKJQBXNON-UHFFFAOYSA-N	413.543	5.041	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)C[C@H](c3cccs3)n3cccc3)cc2)ccn1	589543570	VIMLRURHVCTRDF-OAQYLSRUSA-N	414.490	5.227	30	20	HKED	
C=CCOc1ccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	589639054	PGFSUOUHVOBXMH-WDNDVIMCSA-N	415.805	5.904	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)cn2)cc1	603689970	GRIOUQOZUMEJMJ-NRFANRHFSA-N	402.429	5.254	30	20	HKED	
CCCCOc1ccc(-c2nnc(CSc3nc4c(cc3C#N)CCCC4)o2)cc1	603724414	TXJMOPIFUMCXLK-UHFFFAOYSA-N	420.538	5.353	30	20	HKED	
C[C@H](SCc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	603819832	BZEHJLJPZUBHIL-NSHDSACASA-N	421.385	5.131	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-]	603835656	DXXMGYWRWUAYLA-SFHVURJKSA-N	419.506	5.771	30	20	HKED	
Cc1sc(NC(=O)c2ccc(COc3ccccc3C#N)o2)nc1-c1ccccc1	603835720	PTWNTXKSFZRNPF-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1-c1ccccc1CC2	603991934	HTSPJNMTJBMNBF-UHFFFAOYSA-N	405.331	6.006	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cn(Cc3ccccc3)c3ccccc23)cc1	604068539	ZHBOBMHEOSYVHW-UHFFFAOYSA-N	410.521	5.609	30	20	HKED	
C=CC[C@H](C)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	604905423	SSIZYFHKHMJTJY-LBPRGKRZSA-N	409.383	5.183	30	20	HKED	
CC[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)noc1C	608937494	BBZOHULHEKAXEF-AZUAARDMSA-N	407.901	5.733	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(OCc2ccccc2)cc1	609028814	RBWNWKVPBAHBJC-OAQYLSRUSA-N	411.288	5.567	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccn1	609208462	XYBVGEAGQVIOKW-OAQYLSRUSA-N	416.481	5.417	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	609389512	VBUCUDSXUFZRRQ-DNVCBOLYSA-N	419.015	6.557	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(Oc2ccccc2)c1	609435564	XHHVUZHZLRZOKG-QGZVFWFLSA-N	418.522	5.590	30	20	HKED	
CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	609437678	JZJUUDJEUNXMKW-VGSWGCGISA-N	423.582	5.313	30	20	HKED	
C[C@H](Oc1ccccc1C#N)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	609475561	IUJUHWDSXYAMFF-KRWDZBQOSA-N	421.460	5.146	30	20	HKED	
N#CCn1c(-c2nc(-c3ccccc3OCc3ccccc3)no2)cc2ccccc21	609475673	SMOYDINGULELEZ-UHFFFAOYSA-N	406.445	5.461	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccnc(SCC(F)(F)F)c3)c2C#N)C1	609575834	GTOPXXZHZLGQIY-SNVBAGLBSA-N	411.474	5.046	30	20	HKED	
CSCCc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1	609643852	XMDKPQICLJNDHV-UHFFFAOYSA-N	402.519	5.295	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)c1ccccc1Sc1ccccc1	610221281	DBSSRSWBXMTADX-UHFFFAOYSA-N	404.560	5.373	30	20	HKED	
C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1C(F)(F)F	610223144	SGOSFUVZJIUAIN-ZDUSSCGKSA-N	415.440	5.367	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)n(-c2ccccc2)c1C	611467559	RCYKSDFUVOUTOX-UHFFFAOYSA-N	405.408	5.032	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1Cc2cccc(Br)c2C1	613768984	AIDUVBFQWPCYFX-CYBMUJFWSA-N	416.344	5.391	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3Oc3ccncc3)cn2)c1	619744481	XQIUHYMNFUDARM-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NCc1ccc(C#N)c(Cl)c1	619763786	BGYXSIVPBDLCJL-LBPRGKRZSA-N	416.333	5.210	30	20	HKED	
COCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	642281685	OWXXXQUILGCIDW-ZDUSSCGKSA-N	407.278	5.346	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(C2CCCC2)n1)c1nc2cc(C(F)(F)F)ccc2s1	675643646	UHVHEPMARXCVAO-ZDUSSCGKSA-N	404.417	5.117	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc(-c4ccc(OC)cc4)no3)o2)cc1	676074944	MKKRRBITAMRZSM-UHFFFAOYSA-N	421.478	5.257	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC=C(c2ccccc2)C1	685547045	XTGJVAMANFXWTG-ZEQRLZLVSA-N	412.537	5.003	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1NC(C)=O	726428338	KEQLGYPBQYISDH-CLFYSBASSA-N	422.462	5.186	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1	728014075	KRDHFOZUFSQOGP-UHFFFAOYSA-N	416.387	5.022	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1	728248149	GOTSDVAYUVIMSJ-HHHXNRCGSA-N	420.512	5.165	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c1	730181476	RKTVFUJELSATCA-UHFFFAOYSA-N	416.786	5.871	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1F	731411043	QFDBYFMSLBKTMR-IAQYHMDHSA-N	419.308	6.236	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(S[C@@H](C)CC)cc2C)c1	733843772	AMDBOVZQZYGFNG-HKUYNNGSSA-N	411.571	5.888	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccncc2)cs1	734082756	GVHUVALYMVAISE-HOTGVXAUSA-N	401.413	5.118	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)CCc3ccc(OC(F)F)cc3)c2)s1	739596085	QJKDBFTUJYEGCX-UHFFFAOYSA-N	412.461	5.137	30	20	HKED	
C=C(C)CNC(=S)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C	743017860	JECUDJFGIILVEQ-UHFFFAOYSA-N	421.404	5.142	30	20	HKED	
Cc1cccc(F)c1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	743113216	ACGDLUOHBHEUCW-UHFFFAOYSA-N	403.457	5.101	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(Cc2ccc(F)cc2F)C2CCCC2)c1=S	746065576	ZUYACIHQDLWMSR-UHFFFAOYSA-N	404.530	5.158	30	20	HKED	
CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	746658695	GFJHFGQCIQZFOB-XMMPIXPASA-N	401.485	5.925	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2C(F)(F)F)cc1	746660147	MTTVBKAOIWPBPT-HXUWFJFHSA-N	409.411	5.683	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(OC)cc1	752482805	JSHGYNZIHVVTBV-IERDGZPVSA-N	420.534	5.587	30	20	HKED	
COc1ccc(CN[C@@H]2CCOc3c2ccc(Cl)c3Cl)cc1OCCCC#N	752983606	MVVNKTSDUHYDDS-QGZVFWFLSA-N	421.324	5.298	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCCCOc2ccc(Cl)cc2Cl)c(Cl)c1	754413085	URFIOLHJEYDYRS-UHFFFAOYSA-N	418.107	5.371	30	20	HKED	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN(CCC#N)CC(C)C)cs1	755669933	DDPBBQKYJZRCPX-UHFFFAOYSA-N	424.492	5.218	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(N2CCCC2)c1	755775186	GNPCQLFYQWYAOX-RXFWQSSRSA-N	424.548	5.825	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccccc3)s2)ccc1OC	756703361	BSHCXWXTWFLWEP-YLJYHZDGSA-N	406.551	5.955	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1F	756927023	ZCSPTWFSESBODJ-FQEVSTJZSA-N	420.871	5.980	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C)c1ccccc1	757880834	OODIBLWPVCZWRZ-NRFANRHFSA-N	421.541	5.330	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C(C)=C\c1ccc(Cl)cc1	759208399	YDJGRZGISGGMKD-RQPMMQJISA-N	417.292	5.061	30	20	HKED	
N#Cc1cc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)c(Cl)c([N+](=O)[O-])c1	764301222	LBYAQFIKFPWAAB-UHFFFAOYSA-N	419.249	5.149	30	20	HKED	
N#Cc1ccc(C(F)(F)F)c(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1	764915330	WKOHQYXTWAFFTG-UHFFFAOYSA-N	414.349	5.084	30	20	HKED	
N#Cc1cccc(COc2cccc(CN3CCC([C@H](O)c4ccccc4)CC3)c2)c1	768228908	LSBLACQMXRFHDM-HHHXNRCGSA-N	412.533	5.083	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccccc1C	768411757	NVWFVAWITGYOQC-UHFFFAOYSA-N	410.930	5.288	30	20	HKED	
COc1ccc2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2c1	770110324	KIVGTBPVGOIXTE-MRXNPFEDSA-N	407.882	5.305	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)N[C@@H](C)c3ccc(OCC#N)cc3)s2)cc1	772959388	LKTCWSYVWBPYBS-HOTGVXAUSA-N	407.539	5.441	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)CCC3)cc1	772960852	WRZACUYMQBYKPV-KKSFZXQISA-N	419.550	5.449	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1	780684304	NLWKUAVPIOYIQW-ZDUSSCGKSA-N	404.297	5.481	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	781348705	LMIJUMSXLKGPMH-MRXNPFEDSA-N	420.765	5.237	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccnc2-c2csc(C)c2)c1	782894367	SDZAPCUKVTWISA-SFHVURJKSA-N	406.511	5.121	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1F	783084124	DSEQYOAMRULEAJ-UHFFFAOYSA-N	421.453	5.279	30	20	HKED	
CSCc1ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	787050719	LNJFDAYRPFHGAQ-SJCJKPOMSA-N	421.349	5.056	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1CNCc1ccc(-c2ccccc2C#N)cc1	796343993	FFAASNLZGAWFMV-UHFFFAOYSA-N	413.912	5.058	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)s1	797570932	KPPPLWHSQZBBRX-CQSZACIVSA-N	420.494	5.046	30	20	HKED	
CCc1cccc(C)c1NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1	799494178	CVTZHCPTSBZFHE-UHFFFAOYSA-N	414.481	5.423	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)OCCCC1(C#N)CCOCC1	800135003	XGOXYEHGNLBRRK-UHFFFAOYSA-N	414.571	5.289	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1	801655453	ZTSWPWXGCAKCCA-HNNXBMFYSA-N	422.300	5.332	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cn3ccccc3n2)cs1	806555791	YALLKZMNONDTJW-YFHOEESVSA-N	422.897	5.025	30	20	HKED	
CC(=O)N(c1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1)C1CC1	815160848	OWIWLBCNGGAIPC-UHFFFAOYSA-N	411.505	5.265	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1	815948050	XXLHYKRLJIRAGR-LBPRGKRZSA-N	417.412	5.322	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccccc2OCc2cccnc2)cc1Br	915986180	YYKBBSFBSWENPO-CSKARUKUSA-N	424.294	5.328	30	20	HKED	
N#CCCn1cc(C=NNc2ccnc3cc(Cl)ccc23)c(-c2ccccc2)n1	916269488	RYRHKXAFODAPNW-UHFFFAOYSA-N	400.873	5.111	30	20	HKED	
CCc1cccc2c(C=Nn3c(S)nnc3Cc3cccc4ccccc34)c[nH]c12	916278144	CBLNMYLVQCJGHZ-UHFFFAOYSA-N	411.534	5.237	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OC(C)C)c(OC)c1	916394088	ZTJVMZUFQSLDOO-UHFFFAOYSA-N	408.951	5.095	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1	916679472	PDYIMWVFDWQBQE-LOSJGSFVSA-N	413.496	5.720	30	20	HKED	
Cc1cccc(C)c1OCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917044418	TUJJXXNPRAKQQS-HNNXBMFYSA-N	418.440	5.577	30	20	HKED	
N#CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c1	917501832	QQXCSAWPKIUPKH-OAQYLSRUSA-N	407.832	5.153	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1	920013240	QNWOSIOQLZGDQM-OVCLIPMQSA-N	415.880	5.140	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(-c4ccccc4)cc3)n2)cc1	920143573	RNLFVTVCXKVKTK-HSZRJFAPSA-N	424.525	5.905	30	20	HKED	
CC(C)Oc1cccc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	921132343	PUQPNSAJSFSYLT-MRXNPFEDSA-N	418.440	5.521	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1	935499728	ZTVLJFUJLZTGGJ-UHFFFAOYSA-N	403.551	5.174	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)C[C@H]1CCCO1	1507858669	HIVSXAQVEONLBQ-LJQANCHMSA-N	402.970	5.000	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C)n3)CCC2)cc1	1789451219	BERCWSSOVWBHGQ-JOCHJYFZSA-N	417.553	5.215	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C)c3)CCC2)cc1	1789626427	NRZVGWDCYILSIF-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCCC3)cc2)CCC1	1790516967	UPEQXWUKICKROC-NTEUORMPSA-N	412.599	5.176	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1	1791249874	CMLHXCIELAIQAC-QGZVFWFLSA-N	402.494	5.393	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(C)cc2s1	1801084434	ZMAYVLLLRZNDDZ-ACDBMABISA-N	424.610	5.454	30	20	HKED	
CCn1c(SCc2ccccc2C#N)nc2scc(-c3cccs3)c2c1=O	5230929	PSKSNXXCMHFNRB-UHFFFAOYSA-N	409.561	5.370	30	20	HKED	
CCc1cccc(C)c1Nc1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)s1	10345938	WHYZLPXJTQQGSB-CQSZACIVSA-N	423.567	5.144	30	20	HKED	
COc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccccc2)cc1Cl	15237294	BRDGWBQOYZUEIB-HNNXBMFYSA-N	423.929	5.132	30	20	HKED	
C=CCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccc(C(C)(C)C)cc1	24046187	XPUFPHZTLJEIRA-UHFFFAOYSA-N	411.575	5.401	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48125659	JZYLQYUSBXZERP-UHFFFAOYSA-N	416.506	5.092	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2-c2cccs2)CC1	58536732	ZQYWKGDMXYCESC-UHFFFAOYSA-N	402.523	5.031	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2ccccc2c1C=O	97553771	LRMPEBVGAGUPKO-MRXNPFEDSA-N	404.491	5.064	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3c(s2)CCCC3)cc1	108377223	UNEPAAREHIEDIE-UHFFFAOYSA-N	402.519	5.524	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cc(C)c(OCc3ccccn3)c(C)c2)cc1OC	206514897	BLZRZZVXOJHRCP-NTMALXAHSA-N	403.478	5.191	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cc1	303150033	VPCUZGJGLCYYLU-UHFFFAOYSA-N	422.282	5.079	30	20	HKED	
CCc1nc(C)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1	425937255	LTJHWBVEIZKISH-GOSISDBHSA-N	408.889	5.176	30	20	HKED	
CCN(CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N	431218874	XCZKAYLFINTVBH-CEXWTWQISA-N	402.608	5.103	30	20	HKED	
CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433022344	JXRBMNAAKRXOQT-FQEVSTJZSA-N	402.502	5.083	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1	435101827	RIKWZUCOESZNLD-SJORKVTESA-N	423.504	5.758	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cs1	438040701	JNTISOFZJQQRID-HUUCEWRRSA-N	418.588	5.156	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1Oc1cccnc1	438234383	KZTCFZJGGFVNAR-GOTSBHOMSA-N	412.493	5.486	30	20	HKED	
C=CC[C@H](CC)NC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	439582417	TUOAEJIDDOWGMM-IBGZPJMESA-N	405.498	5.181	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@@H](CCC#N)c1ccccc1	440253490	IGXLMQNABLTMDT-FQEVSTJZSA-N	414.347	5.414	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1ncc(-c2ccc(Br)cc2)o1	441180619	GHIMOXFZLAKFAU-UHFFFAOYSA-N	410.315	5.388	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1C	442503486	CUROTKRCSHDCGN-CYBMUJFWSA-N	417.353	5.741	30	20	HKED	
C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)CCCC1(C)C	444787668	YFXNTSLHFWRGCH-JOCHJYFZSA-N	411.615	6.011	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1	460342810	JXBRXIKUKKHJNB-ROUUACIJSA-N	420.862	6.114	30	20	HKED	
Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	461290804	QSMBEDKJEUKGDL-OAQYLSRUSA-N	414.553	5.058	30	20	HKED	
N#C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1ccc(Br)cc1	463305030	GNADQZKUOZUFNY-FQEVSTJZSA-N	424.273	5.008	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	465956019	NYKRYCVRAIKKQN-IFMALSPDSA-N	404.901	5.663	30	20	HKED	
N#CCc1ccc(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	467044260	IJPHMUURPKLQQZ-UHFFFAOYSA-N	416.428	5.217	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1c(F)cccc1F	469065365	XBIPLBUWYMAULO-OAHLLOKOSA-N	420.444	5.073	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCCC[C@H]3c3cccc(C(F)(F)F)c3)o2)c1	469512910	YOZIVINXVIBPOV-IBGZPJMESA-N	412.415	5.354	30	20	HKED	
C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-c2ccncc2)cc1	470472926	JALJNLXLEQUWOU-QGZVFWFLSA-N	423.438	5.179	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1	475005959	BSBHXVLPVFBKAW-CTNGQTDRSA-N	422.598	5.067	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(-c2nnc(CCOC)o2)c1	476168202	WQQSPIMQWMDRBL-UHFFFAOYSA-N	405.498	5.030	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl	476785257	INNGPNUYRYURSW-CQSZACIVSA-N	419.352	5.602	30	20	HKED	
O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cc(F)c(F)c(F)c1F	477711719	BKOVFZZFMSWKDH-UHFFFAOYSA-N	420.309	5.638	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc(Cc2ccccc2)cs1	480348025	LUQYZNCIJUFKPC-UHFFFAOYSA-N	409.559	5.122	30	20	HKED	
O=C(N[C@H]1CCCC(F)(F)C1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482309643	BXFKSCOTRWLNKC-NWDGAFQWSA-N	404.301	5.186	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1cnc2ccccc2n1	483209702	ZFABYTOBXNYIMF-IBGZPJMESA-N	420.447	5.262	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	483218623	QDEWBKAVCXQFBZ-FOIQADDNSA-N	401.432	5.098	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccccc1	483710760	MIRAIUSRWBPNTD-INIZCTEOSA-N	406.873	5.293	30	20	HKED	
COc1ccccc1-c1csc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)n1	485126797	JHLFMQDJHZAMAS-KRWDZBQOSA-N	403.551	5.631	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1	487503289	PXHLJSZKJSROPV-HXUWFJFHSA-N	407.901	5.479	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1	494699224	ZFLGSKKNPGJRTD-OAHLLOKOSA-N	420.513	5.179	30	20	HKED	
Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	497866913	FZOQZDGEDRVTMO-UHFFFAOYSA-N	402.788	5.225	30	20	HKED	
Cc1c(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)sc2ccc(C#N)cc12	504396506	ZYAAHYBKXCRADO-UHFFFAOYSA-N	415.518	5.551	30	20	HKED	
CC(C)(C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc(F)cc(C#N)c1	509498372	GHVGHSNOIPMIEW-UHFFFAOYSA-N	422.504	5.022	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	515282369	UCUMRUGCZWWJOU-UHFFFAOYSA-N	402.498	5.148	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccccc3SC[C@@H](C)C#N)[nH]c2c1	517472864	CZHMWLBDVKJHSY-JXFKEZNVSA-N	419.554	5.492	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1cc(F)ccc1F	518010698	UFWGTSXODOPHGU-HNNXBMFYSA-N	407.420	5.376	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1[N+](=O)[O-]	518668620	HRJIBLPKJDQWPK-UHFFFAOYSA-N	409.389	5.180	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](C)c1ccc2ccccc2c1	518758898	MAWMIKHYINUNGC-ROUUACIJSA-N	403.551	5.523	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1	520323781	XSMBTWMNGOLTPL-UHFFFAOYSA-N	410.420	5.212	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1	520855653	WQPCJNIAIKQYAF-BEFAXECRSA-N	415.946	5.197	30	20	HKED	
CCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	521208024	BPSBOSADUCQCAX-UHFFFAOYSA-N	412.493	5.173	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C	521246316	YWDXVTGPSBJCJF-QGZVFWFLSA-N	408.498	5.217	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1	523601194	YZBUYKIVUOGUJA-KMFTYDHNSA-N	421.541	5.096	30	20	HKED	
N#Cc1ccc([C@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)C(N)=O)cc1	524535122	QANLUOJXQNKBGM-QFIPXVFZSA-N	411.486	5.199	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)n1	525327072	BDFTWPLROUMVRS-OAHLLOKOSA-N	409.923	5.872	30	20	HKED	
CCc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	525844252	CGYDYIXCJAHKHM-NRFANRHFSA-N	417.896	5.135	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)c1cccc(Cl)c1	533241672	YVWDCNMTMJYMDG-HOTGVXAUSA-N	401.963	5.366	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)CC1CCCCC1	534471658	WXZYUMOKBIELQE-UHFFFAOYSA-N	418.006	6.049	30	20	HKED	
C=C[C@@H](CC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1	535397600	FBNPGZGFVCPWJL-KRWDZBQOSA-N	409.917	5.489	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(Cc4cccnc4)CC3)c2)cc1	536737438	GJSGLUSPUHPSAF-UHFFFAOYSA-N	412.493	5.232	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2)cc1	537165930	DPPNJRZWQWGHHS-UHFFFAOYSA-N	419.868	5.115	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2)cs1	539499971	OAZNLJCYYJQYQZ-GOSISDBHSA-N	416.594	5.305	30	20	HKED	
CCN(CCc1nccs1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541158727	KLTXMBAUBOUSHO-KRWDZBQOSA-N	404.539	5.017	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cnn1C1CCCC1	541399349	XOLPQAFZVCIPQW-UHFFFAOYSA-N	420.435	5.016	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1cc(F)ccc1F	542004903	UBPIECNDTDYCKO-HZPDHXFCSA-N	405.448	5.181	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N1CCC[C@H]1c1cccs1	543862943	YCGZEWGIMYTZRL-WBMJQRKESA-N	410.486	5.483	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(Cc3c[nH]c4cc(F)ccc34)no2)c2ccccc21	547092057	RJRLIWBGHGOMOW-RMKNXTFCSA-N	411.440	5.320	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@H]1CC[C@H](C(F)(F)F)C1	552186705	QSAAJXZDMYTCJM-WCFLWFBJSA-N	421.303	5.794	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc(-c2ccc(Cl)s2)nc1C	557586925	BZEIRPFOGRCHRL-UHFFFAOYSA-N	422.959	5.137	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC4(CCC4)[C@H]3C3CC3)c2)cc1	567033727	APOHPXAUJHNBMZ-HSZRJFAPSA-N	401.510	5.128	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1	569377808	RMDGSJYCHIDVPD-SFHVURJKSA-N	402.425	5.246	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Br)cc1C	578219003	XUMMLHJCDIQNGZ-UHFFFAOYSA-N	405.340	5.145	30	20	HKED	
C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1	579220423	AZIJDRQTTIKHCU-SFHVURJKSA-N	416.529	5.039	30	20	HKED	
N#Cc1c(NC(=O)CCN2CCC[C@H]2c2cccc3ccccc23)sc2c1CCC2	581147353	ABKOLLJKZVIWCE-QFIPXVFZSA-N	415.562	5.427	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1sc2c(c1C#N)CCCC2	600841637	LXLJHJHUMJWQLY-UHFFFAOYSA-N	424.957	5.266	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1	603639140	ZKZHOCSUCJDERX-UHFFFAOYSA-N	419.484	5.375	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1F	604500239	QBCNCLJJQSSSRG-UHFFFAOYSA-N	403.457	5.045	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)c1	605920445	MRHCUZKMIQVRSQ-UHFFFAOYSA-N	424.501	5.085	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1	609375722	SKFPNRZGKPZRFK-UHFFFAOYSA-N	407.520	5.258	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1cccc(C#N)c1	610359107	FEVBFJBKBRYDKJ-INIZCTEOSA-N	411.436	5.510	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N[C@H](C#N)CC(C)C)c2nc3ccccc3s2)c1	611250552	GULPUVJEFDPVEF-GQEMFKIVSA-N	419.550	5.290	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@H](C)c1ccc(C#N)cc1	611669256	QWMLKTTYZMHSHV-MRXNPFEDSA-N	414.347	5.007	30	20	HKED	
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN2CCC[C@](C)(C#N)C2)cs1	612161272	RCJAPOUKCOUGST-LJQANCHMSA-N	423.369	5.260	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N1CCC[C@](C)(C#N)C1	612372433	WOUADEIXYXDOKJ-VBKZILBWSA-N	402.951	5.168	30	20	HKED	
C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	619755439	JOSFWEINGQUXQK-BEFAXECRSA-N	402.897	5.149	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1cccc(C)c1	639426697	HWVAHLLKUWTMCM-HXUWFJFHSA-N	424.545	5.334	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2OCCN2CCCC[C@H]2C)n1	672586271	RACGGZKNKRRYQG-IEBWSBKVSA-N	411.571	5.010	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)n1	677790743	AWYNJIPWRHEEBT-LBPRGKRZSA-N	403.479	5.818	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1c(Cl)nc(Cl)n1C	728440756	TZOAOFPGUASTCT-BQYQJAHWSA-N	412.729	5.708	30	20	HKED	
N#CCOc1ccc(CNCc2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1	729685386	PPKSYZCEDVQIGC-UHFFFAOYSA-N	402.441	5.626	30	20	HKED	
Cc1ccc(Cn2nc(C)c(CCC(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2C)cc1	730394669	LANNJDKNNGFDTG-DEOSSOPVSA-N	422.532	5.214	30	20	HKED	
Cc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)c(O)c(Br)c1)C2	730948200	BZJZILNDGROIDS-LFYBBSHMSA-N	408.089	5.048	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3cccc(OC(F)(F)F)c3)c(Cl)nc21	730949485	XAPMHZJAGXXCDO-SREVYHEPSA-N	409.795	5.460	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)c(C#N)c2n1CCC2	731937542	IWWQCVJOUSATLH-RMKNXTFCSA-N	423.925	5.199	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](O)c1ccc(F)cc1	732412941	FEKYIMWLGDIJIB-VFZGTOFNSA-N	424.316	5.107	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	733640714	SDJFBXUZRWMCNM-UHFFFAOYSA-N	400.891	5.204	30	20	HKED	
Cc1ccc(-c2ncc(C=Nn3c(S)nnc3-c3ccccc3Cl)s2)cc1	734295276	VOYIQYVAOGRFTO-UHFFFAOYSA-N	411.943	5.201	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	739153916	ADBWYUNOAICWEU-XHDPSFHLSA-N	422.859	6.339	30	20	HKED	
COCCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H](C)c1ccccc1	740064432	NAQKPZUQSKLGDZ-SFHVURJKSA-N	419.550	5.206	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(F)(F)F)c1	744063398	MUYAETDVBLJGMP-JZUUQJBKSA-N	413.424	5.504	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	744841337	WWDGXEMNCWSZIV-BSRJHKFKSA-N	422.525	5.046	30	20	HKED	
Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccccc3-c3ccccc3C#N)o2)c1	746244764	FMRVLFZDGPWWEW-KRWDZBQOSA-N	409.445	5.502	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2coc3ccccc23)cs1	747706281	SXWBGAQFZALCTJ-DHZHZOJOSA-N	422.893	6.123	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2Cc2ccco2)cc1	765332892	CUYLALDEFSTVSS-UHFFFAOYSA-N	416.506	5.090	30	20	HKED	
CC(C)Oc1ccc2ccccc2c1CNC(=O)Nc1ccccc1O[C@@H](C)C#N	767884627	UQEDBLXVVLBMHZ-KRWDZBQOSA-N	403.482	5.240	30	20	HKED	
CC12CC3(C)CC(C)(C1)CC(C(=O)OCc1nnc(-c4ccc(C#N)cc4)o1)(C2)C3	772808170	SYYQFMDBFFXOOE-UHFFFAOYSA-N	405.498	5.038	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccccc2OC(F)(F)F)ccc1OC	772985046	IWUUEYAQRQJGTI-GOEBONIOSA-N	408.420	5.126	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)c1	776142907	CIGFRCQIDZYOLA-FYYLOGMGSA-N	420.557	5.008	30	20	HKED	
N#Cc1cc(N[C@@H](CCc2ccccc2)c2ccccc2)ccc1N1CCC(O)CC1	777113974	GCOUKPHSYWCFFE-SANMLTNESA-N	411.549	5.305	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F	780579484	ZYDLYHFMUKUNJS-LLVKDONJSA-N	413.783	5.216	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl	780675629	RWGRWERSQBKRMA-LSDHHAIUSA-N	401.869	5.009	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(SC(F)F)cc2)cc1	781545231	CHHQPTZZGLUVHH-NYYWCZLTSA-N	400.450	5.210	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	789457555	IRBWGXRPUPCPJK-UHFFFAOYSA-N	407.558	5.338	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1cc(C#N)cn1C(C)(C)C	790860093	MNBLKDMIIDFIJT-UHFFFAOYSA-N	410.518	5.033	30	20	HKED	
Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1nccc2ccccc12	792096071	ZGMJSLIPZYIEKA-SFHVURJKSA-N	418.294	5.137	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1cnc2ccccc2n1	792114934	OKCZJLMZABKGOG-IKGGRYGDSA-N	410.502	5.166	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(Br)cc2F)C2CC2)c1	794808852	CRJZNPOUFUKEEH-DYESRHJHSA-N	417.322	5.510	30	20	HKED	
N#CC[C@H](CC(=O)OCc1csc(Cc2ccc(Cl)cc2)n1)c1ccccc1	795982118	QLJUXFZLUAAERF-GOSISDBHSA-N	410.926	5.518	30	20	HKED	
Cc1ccc2c(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)csc2c1	796355113	DPJDXIHTQIZAAB-HNNXBMFYSA-N	424.547	5.257	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)c1	812922759	JSXUQZJFXQRZQW-UHFFFAOYSA-N	404.297	5.307	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(F)c3)n2)cc1	815910668	DHKDYARJYLLBDV-HNNXBMFYSA-N	400.862	5.166	30	20	HKED	
O=C(Nc1cccc(C=NNc2ncccc2C(F)(F)F)c1)c1ccccc1Cl	915050391	NDBCMBSAQKUWDT-UHFFFAOYSA-N	418.806	5.452	30	20	HKED	
CCOc1cccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1	915943734	KMRLXUNXDNBPIN-UHFFFAOYSA-N	423.925	5.368	30	20	HKED	
Sc1nnc(-c2ccccc2Br)n1N=Cc1ccc2ccccc2c1	916346116	MVGLKLFLHROUPQ-UHFFFAOYSA-N	409.312	5.032	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916681597	UKSMKPUWSDZZQJ-JTSKRJEESA-N	403.913	6.220	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C	916845209	QNXUSUCRMCKUNM-DGCLKSJQSA-N	404.322	5.237	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccc(OC)c(Cl)c2)cc1	916947706	ANBFKRUWCOBYLQ-DNVCBOLYSA-N	412.917	5.142	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1	916948745	XLENIFJOMAPLIH-FZKQIMNGSA-N	404.388	5.060	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(Oc2ccccc2)c(F)c1	917144384	JQBHHBKHBJGFKH-KHPPLWFESA-N	402.450	6.033	30	20	HKED	
O=C1/C(=C/c2csc(COc3ccc(Cl)cc3)n2)CCOc2ccc(F)cc21	918711780	AGQOZBLWRRWKBY-UKTHLTGXSA-N	415.873	5.563	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C(F)(F)F)cc3)n2)cc1	920138309	DEQZXUBQYXYFLK-QGZVFWFLSA-N	416.424	5.256	30	20	HKED	
C=C(Br)COC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	920672408	RXEOXSJAYOQMAH-NSHDSACASA-N	416.724	5.069	30	20	HKED	
N#C[C@@H](COC(=O)Cc1csc(-c2ccc(Cl)s2)n1)Cc1ccc(F)cc1	920877413	IPQLYLGSHBEKTE-ZDUSSCGKSA-N	420.918	5.132	30	20	HKED	
Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)C[C@@H](C)C#N)c2=S)cc1	921031153	YSDAATBVCHBNPC-INIZCTEOSA-N	411.962	5.081	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CCC1	1788915008	LUDCSKBNPGYNEB-UHFFFAOYSA-N	413.521	5.109	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)CC=C)CCC2)cc1	1789457995	JGXFBGSXLVMTIC-IBGZPJMESA-N	402.485	5.100	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCSC3)cc2)CCC1	1792283501	QJCBZLXCOLWYIY-IBGZPJMESA-N	412.599	5.032	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(OC)c2)[n+]2ccccc2CC)cc1	11262158	JUVXEJRTQIXJNF-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nc3scc(-c4ccccc4)c3c(=O)n2C)cc1	24703765	HGOJBAXXFGKFMM-GOSISDBHSA-N	417.559	5.197	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc(-c2ccccc2)cs1	41533135	CLNQIPXPWRAXQH-SFHVURJKSA-N	418.909	5.198	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1	58028476	NYULBYAKYOPTJM-PMACEKPBSA-N	405.542	5.025	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1	58451270	DERUBXYKNBYAIS-UHFFFAOYSA-N	403.526	5.192	30	20	HKED	
N#CCc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1	61133605	WQDALBRSHCGGLO-UHFFFAOYSA-N	402.306	5.364	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2ccc(C)cc2C)n1	63947195	LVRQNSFFQBKYIR-UHFFFAOYSA-N	407.495	5.164	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc12	64715042	INWWYTYOPILBFR-MRXNPFEDSA-N	420.440	5.740	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)cc1	207260309	BTNFJPYMDOFOMY-QXMHVHEDSA-N	409.486	5.375	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)cc(Br)c1O	212699264	DJKKRCHLFKBNRL-SREVYHEPSA-N	410.333	5.122	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1c(Br)cccc1Br	410362272	UVTSMHDTHBMELO-UHFFFAOYSA-N	409.121	5.583	30	20	HKED	
CCCc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(F)cc1	429633078	HEYKCRONJAHEPN-UHFFFAOYSA-N	421.476	5.290	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	430026296	LHXWINLQPJDLLF-UHFFFAOYSA-N	413.502	5.200	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1c(F)cc(F)c(F)c1F	430959191	XAUBHERHVMVEDJ-SECBINFHSA-N	408.317	5.164	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2	435458205	IGFBWUVYPPBGED-UHFFFAOYSA-N	405.504	5.539	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C2CC2)cc1	438435493	NDDDAIQGVDWAAY-KESTWPANSA-N	413.443	5.197	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	438640864	IRKAKGLSQNRQPV-IBGZPJMESA-N	403.404	5.345	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1NCc1ncoc1-c1ccccc1	440669581	MMDKVZPDLNWFAS-UHFFFAOYSA-N	405.255	5.136	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@]2(C[C@H]3CC[C@H]2C3)C1	440936797	NBIJGGAOJCSOFX-RLSLOFABSA-N	417.509	5.082	30	20	HKED	
COCCCOc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	442684545	XHPICIDGKQETDU-FQEVSTJZSA-N	406.507	5.024	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4cscn4)c3)n2)cc1	442872070	IZMJPAMUFLDNHV-SFHVURJKSA-N	412.499	5.295	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)cc2OC(F)F)c2ccccc2OC)cc1	443469726	YBRINPRJZQVZKM-HSZRJFAPSA-N	424.447	5.056	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(OCc3ccccn3)c2)c2ccccc21	443942822	ALTLUHXBOUKTBL-UHFFFAOYSA-N	410.477	5.171	30	20	HKED	
CC[C@@H](N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	447542806	KENIDPZZHOAQFC-RPBOFIJWSA-N	418.562	5.101	30	20	HKED	
COc1cc(C[S@@](=O)[C@H](C)c2cccc(C)c2)ccc1OCc1cccc(C#N)c1	462991731	OBBPUWDRUOPAMN-HZAQMHFWSA-N	419.546	5.464	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1cccc(C#N)c1	463815950	RSENJVRMJVPUBF-OAHLLOKOSA-N	403.869	5.206	30	20	HKED	
CN(CCOCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	465160515	ZVFJWQDTTNAJNW-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	474478864	QEHUPKRBXGQZER-QFIPXVFZSA-N	415.493	5.072	30	20	HKED	
Cc1sc(CNC(=O)C[C@@H](CC#N)c2ccccc2)nc1-c1ccc(Cl)cc1	475123296	VSQJDFQYXGVHAW-GOSISDBHSA-N	409.942	5.476	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	475292403	FTUVDOSGPUAHJZ-UHFFFAOYSA-N	420.900	5.189	30	20	HKED	
CN(Cc1cc(Br)ccc1Cl)C(=O)C[C@@H](CC#N)c1ccccc1	477094255	AZKTWOBZQMNSRY-OAHLLOKOSA-N	405.723	5.148	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(C#N)c(F)c3)n2Cc2ccco2)cc1	478721595	LKBWKYWOQFIENC-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(COCc2ccco2)c1)c1ccc(F)c(F)c1	480396953	WAAYTYSSYNBEEF-JOCHJYFZSA-N	412.436	5.714	30	20	HKED	
Cc1csc(C2(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)CCC2)n1	480859940	ZVDUUBBFHVAQSH-UHFFFAOYSA-N	405.548	5.284	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1C(F)(F)F	481248921	FAMYKICUQRAOSY-QGZVFWFLSA-N	414.387	5.477	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1ccccc1Br	481781238	MPHUYJOTLHKVOO-HNNXBMFYSA-N	417.372	5.805	30	20	HKED	
COc1cc(OC2CC2)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	482552938	GGSITNONBKRGEA-LJQANCHMSA-N	404.491	5.158	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nccc2ccccc12	483212575	SCSRNFGHSXSLCY-HXUWFJFHSA-N	413.502	5.622	30	20	HKED	
CCCN1CCC(N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	483471792	ROPGPKKMDMKRDJ-QFIPXVFZSA-N	424.976	5.334	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2c(CC)cc(C)cc2CC)nnc1-c1ccco1	484856195	JAJSYPPVRWDHCI-UHFFFAOYSA-N	424.570	5.278	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1cccc(-c2ccc(Br)cc2)c1	486534517	IVJRVIBIBXQURT-UHFFFAOYSA-N	424.298	5.657	30	20	HKED	
CC(C)c1c(NC(=O)c2c(F)cc(C#N)cc2F)cnn1-c1ccc(Cl)cc1	486851073	DVOCLHWTJWGLPG-UHFFFAOYSA-N	400.816	5.051	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)s1	486861767	AGIPXIUACVMMIF-UHFFFAOYSA-N	421.909	5.005	30	20	HKED	
COc1ccc(-c2nc(CSCc3ccc(F)cc3C#N)cs2)cc1OC	488477925	AVLKFMQSMODESX-UHFFFAOYSA-N	400.500	5.271	30	20	HKED	
CSc1ccc(N(C)C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	495151105	ZRLRGTPVMJPEPW-UHFFFAOYSA-N	404.539	5.079	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	497801357	OKEOZCZQCPMZCW-UHFFFAOYSA-N	415.377	5.049	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)cc2)cc1	499591392	XSNZHILMJCRHPU-UHFFFAOYSA-N	413.408	5.326	30	20	HKED	
N#C[C@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	499835877	FNTLHNIBSOVPHX-QFIPXVFZSA-N	402.881	5.351	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1	502877627	OUINPALKNKSQFU-CABCVRRESA-N	402.416	5.097	30	20	HKED	
N#C[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1c(Cl)cccc1Cl	505540095	LHYUGQZLBYDYPX-INIZCTEOSA-N	420.683	5.225	30	20	HKED	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510646294	PGGQLGLHCIBKNB-UHFFFAOYSA-N	423.476	5.200	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCN1CCC[C@@H](C)C1	510875609	ZORQDJRMRGSTSU-LJQANCHMSA-N	420.557	5.293	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1	510988088	UJIADZDWAHFKOX-QHCPKHFHSA-N	403.526	5.178	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1	512563623	FSRPWGIPGGMNFE-UHFFFAOYSA-N	419.451	5.111	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1	512868790	IQLVAJVNHRFNHK-UHFFFAOYSA-N	421.500	5.662	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1ccc(C(F)(F)F)cn1	513201341	GZRIPEDODIZVOY-LJQANCHMSA-N	412.436	5.883	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC	513774442	ZGNSCBGROKNXMW-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513960230	CQJLUIOQUUKTJD-UHFFFAOYSA-N	415.512	6.364	30	20	HKED	
Cc1nc(SCC(=O)Nc2sccc2C#N)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	514931462	XHDYXXPPUNDXLU-CVYDXHPNSA-N	414.600	5.161	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	515436372	QDCNWMSBOJMGKL-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccccc1	517467162	NWSXYJBEGGEAOF-FXAWDEMLSA-N	423.582	5.171	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	518170106	YJGYLVXOFLOGBF-CABCVRRESA-N	421.488	6.182	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(N2CCCCC2)CCCCC1	519449972	QLZWBZRQGQTDET-IBGZPJMESA-N	414.619	5.249	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H]2CCCc3ccccc32)cc1	520805627	PEQINSLRMRKGIP-QFIPXVFZSA-N	410.517	5.780	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(OC[C@@H]2CCCO2)c1	521839998	UDERWHLKAXNQRR-QFIPXVFZSA-N	421.541	5.115	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	525369130	MWMVWAQNYZVXCC-NSHDSACASA-N	414.836	5.272	30	20	HKED	
C=CCN(C(=O)c1cnc(-c2ccncc2)s1)c1nc(-c2ccccc2)cs1	525521226	NJVZQFHJWJZRJS-UHFFFAOYSA-N	404.520	5.161	30	20	HKED	
Cn1cc(Nc2cccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)cn1	532667151	VTQQRAAHSLPUOV-UHFFFAOYSA-N	409.449	5.080	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2cccnc2)C2CC2)cc1	534777975	TZOAQFCVDUKKDF-QHCPKHFHSA-N	414.465	5.027	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1)c1nnc2n1CCCCC2	538045037	HOSVEBABOPSYCX-IBGZPJMESA-N	422.941	5.299	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3cccnc3)Cc3ccco3)c2)cc1	539030117	SIKWVIOPNILWSG-UHFFFAOYSA-N	424.460	5.573	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1c(F)cccc1Cl	540475029	KJARXHTYTSHNBS-ZIAGYGMSSA-N	405.926	5.163	30	20	HKED	
C[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)c1ccc(-c2cccc(C#N)c2)cc1	541130456	GIFIZTDPERHEML-MSOLQXFVSA-N	414.480	5.451	30	20	HKED	
CCN(CC(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	542579620	GQBMPFZEMWHIBH-FUCUVXDHSA-N	421.372	5.222	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	543944094	ZXBNVDICJDSCMO-UQBPGWFLSA-N	410.521	5.536	30	20	HKED	
Cc1cc(F)ccc1-n1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)n1	543986161	NQFIRFVPCUPIIN-CQSZACIVSA-N	410.861	5.073	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)nc2ccccc21	548634665	IEYWVJGUHICVNK-GOSISDBHSA-N	406.917	5.162	30	20	HKED	
Cc1cccc(C(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c2cccc(C)c2)c1	548827578	CNBFWJDAJMIZEN-UHFFFAOYSA-N	424.548	5.055	30	20	HKED	
COc1cccc2c1[C@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2	557060388	OALLEPNUXBLRQM-JOCHJYFZSA-N	412.489	5.123	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccccc1	558773250	XOMQVLHXGKIKLI-VQTJNVASSA-N	401.432	5.501	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3ccc(CC#N)cc3)ccc2OC(F)F)cc1	559648263	AKHMUFOFPWMKLN-UHFFFAOYSA-N	408.404	5.282	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCSc4ccccc43)cc2)ccn1	564432728	GMMLYTALMQTNLO-HXUWFJFHSA-N	402.479	5.104	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C1CC1	570503859	FSJUDONHIHAWTR-UHFFFAOYSA-N	414.509	5.119	30	20	HKED	
C=CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2	573349142	DXKRSSVALGMTCH-CZIZESTLSA-N	423.516	5.272	30	20	HKED	
Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	574480480	YTBGASWHEMCLSW-SFHVURJKSA-N	405.841	5.464	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1Cl	603673162	BATOOGCOPKXPIH-OAHLLOKOSA-N	415.674	5.603	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCSc4ccccc43)cn2)cc1	603689287	GMHYWGJWTPNFPI-IBGZPJMESA-N	402.479	5.104	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCc1ccccc1C#N	604448351	QUYXDVOLJHJLGS-UHFFFAOYSA-N	409.411	5.750	30	20	HKED	
N#CC1(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)CCCC1	609062761	GGTGERZERYEZNP-UHFFFAOYSA-N	412.415	5.126	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1F	609378653	VWRFFZJDEQDGCD-UHFFFAOYSA-N	402.800	5.756	30	20	HKED	
COc1ccc([C@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(F)cc2)cc1	609669892	HVEMLBLSBXQHHX-LJQANCHMSA-N	401.363	5.321	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	609793023	HDBSVKXAMSJKRY-LBPRGKRZSA-N	405.285	5.012	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1	610090741	HMTCZFVNNKEFSH-SFHVURJKSA-N	402.498	5.142	30	20	HKED	
CC[C@](C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nccs1	610093665	QQQWBJNEMPKRSA-QHCPKHFHSA-N	420.538	5.235	30	20	HKED	
CCC[C@@H](C)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n[nH]1	610352250	UVPDGXSHVSSJGR-MRXNPFEDSA-N	404.539	5.730	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1	611073602	NEPMBDXFSZDKNG-UHFFFAOYSA-N	415.440	5.296	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	618789868	QYAJOXALPWDTTD-BFUOFWGJSA-N	407.926	5.044	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCc2sccc2[C@@H]1c1cccs1	618842203	JMHHHYNBGYLAPK-GHTZIAJQSA-N	405.548	5.026	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1Cl	619828028	JFCRBKCSSSTBIL-LJQANCHMSA-N	413.955	5.192	30	20	HKED	
CC(F)(F)c1cccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	682055552	QCOAOFHKKQQFMH-QWRGUYRKSA-N	404.301	5.393	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	684671907	DOYXFHIJIIVJMM-HNNXBMFYSA-N	422.271	5.995	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc([N+](=O)[O-])cc1	725840058	UJTAJLMOEKXAEB-UHFFFAOYSA-N	407.430	5.242	30	20	HKED	
N#Cc1ccc(NN=Cc2csc(COc3ccccc3)n2)cc1C(F)(F)F	726426181	QOMJWULPRGBKDH-UHFFFAOYSA-N	402.401	5.059	30	20	HKED	
CN(CCC#N)c1ccc(CNC2(c3ccc(Br)cc3)CCCC2)cc1	726607937	YGNBFIRMHIIEQH-UHFFFAOYSA-N	412.375	5.358	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1	727330416	IHEIDZDEHGZHJS-UHFFFAOYSA-N	409.917	5.409	30	20	HKED	
Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(C)n1-c1ccc(C(C)C)cc1	728704753	KUCPJTHBVSSZOT-UHFFFAOYSA-N	423.516	5.287	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	728768705	KBOACFNBDBFCNN-ZFWWWQNUSA-N	412.461	5.467	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	730994631	KONKWOTZTVYKAY-HNNXBMFYSA-N	411.527	5.538	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)c(Cl)c1	731646129	XZEKETAILBTSBG-AWEZNQCLSA-N	418.505	5.404	30	20	HKED	
C=CC[C@H](NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccncc1	734361369	UATHYIXMWHJJFH-QHCPKHFHSA-N	413.496	5.735	30	20	HKED	
COc1ccccc1C(C)(C)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740478182	ITKCCIAGGKJVKR-UHFFFAOYSA-N	405.523	5.030	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCS[C@H](c4ccccc4)C3)c2)s1	740483726	VTEVPYKUHAPWOI-QFIPXVFZSA-N	419.575	5.286	30	20	HKED	
CC(C)[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	740540045	XQMJYNPFTHLKGO-SJORKVTESA-N	410.489	5.779	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(N3CCCCCC3)c2)c1	741072597	ZCZATJMCCOXPMP-QFIPXVFZSA-N	406.530	5.070	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ncc(-c2ccccc2)o1	741323784	YXLBEWSBOQNHEA-INIZCTEOSA-N	411.417	5.319	30	20	HKED	
N#C[C@H](C(=O)[C@H]1SCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	744034297	GGBGQRFZXRAQMR-XLIONFOSSA-N	410.951	5.670	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)O[C@@H](c3ccccn3)C(F)(F)F)cc2)cc1	747359507	YPAPBQFMODEMMT-FQEVSTJZSA-N	412.367	5.400	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccc(-c2ccc(C(=O)O)o2)cc1	753142065	NTFDZONCMVOAGV-CMDGGOBGSA-N	402.431	5.059	30	20	HKED	
COc1cc(C=NOCc2csc(CCc3ccccc3)n2)ccc1OC(F)F	753169220	CKNPCMWKIMHSFS-UHFFFAOYSA-N	418.465	5.089	30	20	HKED	
COc1cccc([C@H](C)CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	753400454	NQMIQBSJJPCASU-MLGOLLRUSA-N	418.440	5.694	30	20	HKED	
COc1ccc(OCc2ccccn2)c(C=NOc2ccccc2C(F)(F)F)c1	754709125	KCAFZMRRFCFYOJ-UHFFFAOYSA-N	402.372	5.101	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c1	756073960	RYKDIVAHTBTRIW-SJLPKXTDSA-N	414.575	5.159	30	20	HKED	
C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1)c1ccccc1	758911406	ATZHSNFXURPYRD-SFHVURJKSA-N	406.507	5.231	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Br)ccc1F)c1nc2ccccc2s1	759187774	OLDMTFLRDJOXTE-CYBMUJFWSA-N	403.276	5.007	30	20	HKED	
CC(=NNc1ccc(Cl)c(F)c1)c1ccc(CNC(=O)OC(C)(C)C)nc1C	760250280	XMVRZOQJDJUWSP-UHFFFAOYSA-N	406.889	5.043	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@H]2c2cccc(C)n2)c1=S	765116388	LBIOCDPOZXPSNH-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(Br)c1	768184423	HKKYOHDBRAYMJD-ZDUSSCGKSA-N	415.234	5.056	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2cc(Cl)ccc2OC)ccc1OC	772987125	STHLQETZFSEYMZ-HKUYNNGSSA-N	402.922	5.279	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	773316119	JMUVCUYRZMBOJU-CXAGYDPISA-N	407.461	5.159	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	775488610	PIMINMICBOEYEW-YSGRDPCXSA-N	401.432	5.537	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1coc(-c2ccccc2Cl)n1	776518714	VORZDXCOPQDDQX-QGZVFWFLSA-N	421.884	5.081	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	780584406	NIESNEFHGQIHOO-JKSUJKDBSA-N	424.501	5.207	30	20	HKED	
CCN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1	780671291	UAUSOXIKYXMJBT-LSDHHAIUSA-N	405.420	5.611	30	20	HKED	
C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(Cl)c(Cl)c1O	783329865	KFAUZXRHQFZATK-LRVUVFPRSA-N	406.313	5.006	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1	789453073	XQSBRPSOYYHZIU-SFHVURJKSA-N	401.551	5.012	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	789456380	PKRFLUBAIFOGKF-IEBWSBKVSA-N	415.578	5.306	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)[C@@H](O)c3cccc(C(F)(F)F)c3)c2)cc1	796153451	WGNJXUNBCQOKIZ-FQEVSTJZSA-N	412.367	5.041	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)Nc2nc(Cl)c(C#N)s2)c(C)c1	813370636	XWOFZZATIKFIQB-UHFFFAOYSA-N	400.916	5.084	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)s1	813522132	UIEXWVDBXHPSST-UHFFFAOYSA-N	419.591	5.348	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2coc(-c3ccccc3)n2)cc1OCC	826123380	LZJFVKVFBWXYFM-UHFFFAOYSA-N	414.889	5.733	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1OC	839303717	QTTGVSAXZOEMMG-PKNBQFBNSA-N	416.521	5.161	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1	839385576	VHXXUUBVERBDFE-UHFFFAOYSA-O	421.973	5.205	30	20	HKED	
O=C(Nc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccsc1	880591955	MDFYXSANNMQIFF-UHFFFAOYSA-N	423.497	5.048	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(-c4ccccc4)n3)cc2c1C	914773338	GDADNTMLUYTBSJ-HJWRWDBZSA-N	420.515	5.411	30	20	HKED	
Oc1ccc(Br)cc1/C=N\Cc1cccc(COCc2ccco2)c1	915113355	VCMHMCQFLCLPFH-UUYOSTAYSA-N	400.272	5.084	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OC(F)F)cc1	915353434	NIKPMRASJPQUBD-OPAMFIHVSA-N	421.447	5.826	30	20	HKED	
FC(F)(F)c1ccc(CNN=Cc2c(-c3ccccc3)nc3sccn23)cc1	915973011	YURQVGQLICYEFN-UHFFFAOYSA-N	400.429	5.205	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1OC	916627297	LMQMRFDDROOBES-QGZVFWFLSA-N	408.523	5.754	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	916913298	WEQBOUCGDICFDM-CYBMUJFWSA-N	409.700	5.317	30	20	HKED	
Cc1ccc(C(C)C)c(OCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	916927238	GYAFUFOVTXJUHS-INIZCTEOSA-N	419.308	5.152	30	20	HKED	
Cc1cccc(C)c1OCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916975793	FPWZPJYJTAFAOU-SFHVURJKSA-N	410.926	5.726	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]2c2cccc(F)c2)c1=S	917485548	ABBGOXLGDWCWFW-FQEVSTJZSA-N	412.509	5.340	30	20	HKED	
COc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	921266631	PVXSXGNGXZNKCG-BOPFTXTBSA-N	419.408	5.144	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2cc(O)n[nH]2)cc1	1540813480	SCJPZVGGCFVCJR-UHFFFAOYSA-N	412.474	5.057	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)c1ccc(Cl)cc1	1792816945	CYGAPSDSEMPLAO-DVWBAYGPSA-N	416.993	5.074	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830750697	JARVKQZQAMMWJW-DVECYGJZSA-N	408.586	5.010	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2SCCC#N)cc1	8750862	FVEJTWKRSUWWKU-LDADJPATSA-N	416.333	5.692	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1	10172632	FXKXKVDJOAOBFO-UHFFFAOYSA-O	417.598	6.074	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1Br	58850252	ZRJOUZPTXLYLNN-UHFFFAOYSA-N	424.136	5.432	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cnn1-c1ccc(F)cc1	65680280	SADCMHKNYRAVKJ-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N(C)CC(C)C)cc1	116098826	XAXNQIMHOATWMT-UHFFFAOYSA-N	414.509	5.399	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1F	216104533	CIBLDGLYZUCLFS-MRXNPFEDSA-N	424.545	5.513	30	20	HKED	
COc1cccc([C@H](CNc2cccc(F)c2C#N)c2c[nH]c3ccccc23)c1OC	302598879	JUXUJPUUNUZHKG-FQEVSTJZSA-N	415.468	5.440	30	20	HKED	
C=CCc1cc(C(=O)Nc2c(C)cc(Br)cc2Cl)cc(OC)c1OC	302988551	WXOOGMIUULNNEJ-UHFFFAOYSA-N	424.722	5.409	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	303303464	DDTVBXBDLOKSKK-QHCPKHFHSA-N	421.541	5.145	30	20	HKED	
CCCn1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nc2cc(Cl)ccc21	303934665	RJZCZGMXPULMEW-UHFFFAOYSA-N	409.902	5.314	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c(Cl)c1	430358352	UNENNTBDLPWKRU-UHFFFAOYSA-N	417.827	5.925	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccccc1	430899653	JGHHZHFRAXJUFN-QHCPKHFHSA-N	422.960	5.493	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3c(Cl)cc(F)cc3Cl)c2)cc1	431617240	MDKGYLMHWGBUDZ-UHFFFAOYSA-N	401.224	6.049	30	20	HKED	
C[C@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	436420390	FFGAMRNEHADSEI-KCJUWKMLSA-N	410.280	5.197	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)c2)cc1	437740057	AZAZQBXKHZQOFY-RCZVLFRGSA-N	411.505	5.084	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)cc1	437833930	MPLJOSKSEQLSKI-XMMPIXPASA-N	417.553	5.568	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)cc1	437836171	HPDFHWOTDVWYRP-DEOSSOPVSA-N	419.569	5.294	30	20	HKED	
Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1	437977503	MVVPEDMARRDRLS-GOSISDBHSA-N	417.509	5.490	30	20	HKED	
N#C[C@@]1(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CCc2ccccc2C1	442750527	GMLAIDXSFIIRRO-JOCHJYFZSA-N	410.304	5.170	30	20	HKED	
CC[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	446108550	MYKFUCXQYBCVIQ-JTQLQIEISA-N	400.319	5.201	30	20	HKED	
CCC(CC)c1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)on1	460326916	FBKYNXUHSHWEJK-UHFFFAOYSA-N	405.523	5.531	30	20	HKED	
Cc1cccc([C@@H]2CCCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)c1C	464596154	CJQCHAYLDWOXPV-DEOSSOPVSA-N	417.553	5.084	30	20	HKED	
CCCCOC1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1	465089998	KGCOSTLTFQPBPR-UHFFFAOYSA-N	412.917	5.425	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	465244767	ODARBVAXZGQHJG-UHFFFAOYSA-N	422.291	5.530	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccccc3O[C@@H]3CCOC3)cc2)cc1	470794218	AQJABIIHHCPQOL-OAQYLSRUSA-N	415.449	5.162	30	20	HKED	
CC(C)CN(C(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccc(C#N)cc1	475379810	KPYMZQKBRYDGRG-UHFFFAOYSA-N	410.568	5.132	30	20	HKED	
CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	475597762	AYIYHPCBKIHNTK-JXFKEZNVSA-N	412.917	5.324	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	475616294	FVDZNHVGOFRRLL-IKGGRYGDSA-N	415.990	6.390	30	20	HKED	
C=C(C)[C@H](NC(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1)c1ccc(F)c(F)c1	476878977	KNZVWAZAWZEZBX-VFNWGFHPSA-N	415.484	5.066	30	20	HKED	
CC[C@H](C)n1nc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C	480615717	STBJDFWBUZPNEW-HNNXBMFYSA-N	421.476	5.396	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	482050416	PNQIXFQKOJCENH-TZRRMPRUSA-N	404.554	5.575	30	20	HKED	
Cc1cc(-c2noc([C@@H](C)NC3CCC(C#N)(c4ccccc4)CC3)n2)ccc1F	483657303	SJOPBZVYQRZWBJ-RAMCEHFNSA-N	404.489	5.239	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(Cl)c1Br	485244431	ZCDBMSQZERPEGX-UHFFFAOYSA-N	409.711	5.331	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(C(=O)OC)o2)nnc1-c1cccc(Cl)c1	489630642	REBAZWXAQRDQFS-LBPRGKRZSA-N	403.891	5.017	30	20	HKED	
COc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)cc(OC)c1C(C)C	494524764	XPVDFIJOJWACOC-UHFFFAOYSA-N	420.465	5.123	30	20	HKED	
CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1CCCC1(C#N)CCOCC1	499613166	VPEZIRBTYOQXGH-NRFANRHFSA-N	423.523	5.097	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)c(F)c1	500247884	ZQPKOLPKBARVGP-UHFFFAOYSA-N	406.417	5.003	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2cccc(OCCCC#N)c2)s1	503199541	MMSYQZQSIAAVQC-IBGZPJMESA-N	421.526	5.407	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(COCc2ccco2)c1	503215037	FLTDILZVGKXJIN-KRWDZBQOSA-N	421.522	6.035	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCCC[C@H]3C)n2)o1	504493119	OHZNGBLGGOZTGA-GFCCVEGCSA-N	423.460	5.034	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	505163721	GLVZXHGLMHGJSW-UHFFFAOYSA-N	407.564	5.233	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1	505355889	OCSUNNCKMGZDGX-MWTRTKDXSA-N	406.432	5.028	30	20	HKED	
N#C[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)c(Cl)c1	505922583	JGNFMZBESOYXQB-KRWDZBQOSA-N	420.683	5.225	30	20	HKED	
C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccccc4)csc3n2)c1C	507698015	MRESXCWXKJJQEL-UHFFFAOYSA-N	403.507	5.094	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	511510119	YSCSBVGWWXXBPU-GOSISDBHSA-N	412.493	5.344	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	512307042	YAHYEPVZIJCOHK-OAQYLSRUSA-N	411.839	5.137	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	512363952	XILDNKDJLNWGEI-KRWDZBQOSA-N	420.328	5.139	30	20	HKED	
COc1cc(C)c(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	518754482	OGYLJCAUJAOHHB-MRXNPFEDSA-N	413.543	5.070	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1C	518827986	DZKCPTOCWWWKLP-JOCHJYFZSA-N	416.550	5.591	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(=Cc2cccc(F)c2)CC1	520856722	OQQUVRGLAVNOIP-QGZVFWFLSA-N	409.530	5.789	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	522010906	BINMMHCWXTYORW-UHFFFAOYSA-N	414.480	5.511	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccc(O)c3)CC3CC3)cc2)cc1	522845647	XLUFJADETVZXHZ-UHFFFAOYSA-N	413.477	5.500	30	20	HKED	
COc1cccc(NC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1	523006441	CPWBWNQJWDLSIY-QGZVFWFLSA-N	424.570	5.055	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N	523010825	WWRKDTXMSDKCFH-SXGZJXTBSA-N	417.962	5.632	30	20	HKED	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1S[C@H](C)CC#N	523909259	MXAPFLQHUAKEGP-CRAIPNDOSA-N	401.963	5.877	30	20	HKED	
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	525425438	XIMJUUNMPWZBLQ-BLIXFSHQSA-N	423.944	5.019	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(c1ccc(OCC)cc1)c1nc2ccccc2s1)OCC	533751961	ZJVQQHNLXFAXHV-HXUWFJFHSA-N	410.539	5.731	30	20	HKED	
C=C(C)[C@H](CC(=O)N(CCC)[C@@H](c1cccnc1)c1ccc(F)cc1F)OCC	533762010	DQDIRCRIIBQMKD-GMAHTHKFSA-N	402.485	5.059	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1	536088472	XIVONEBTTXGTNS-UHFFFAOYSA-N	417.534	5.233	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1	538507411	CZISHHRAHMGLOX-IAGOWNOFSA-N	419.475	5.429	30	20	HKED	
C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCO1	540657202	CUWWZXNMDYHGKF-ZIAGYGMSSA-N	404.388	5.123	30	20	HKED	
C[C@H](NC(=O)NCc1ncc(-c2ccccc2)o1)c1ccc(-c2cccc(C#N)c2)cc1	541093021	LGRSAVXWZYXKQP-SFHVURJKSA-N	422.488	5.441	30	20	HKED	
CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1C	541994402	SYUXVFJERDLQOT-KRWDZBQOSA-N	412.493	5.375	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc([N+](=O)[O-])cc1F	542551621	NOAPGALUNQXPOE-CQSZACIVSA-N	405.385	5.140	30	20	HKED	
CC(C)OCc1ccccc1-c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1	546355300	FZRSYNJXYILQEL-OUKQBFOZSA-N	412.493	5.700	30	20	HKED	
C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1	552838957	IXFJCWODXSFBAF-QRWLVFNGSA-N	416.443	5.109	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccc(Cl)s2)on1	553450563	GHJAGEQBKBJVOL-UHFFFAOYSA-N	404.923	5.052	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)n1	553912095	FKOXMXUHNIYVDI-HNNXBMFYSA-N	421.551	5.304	30	20	HKED	
CC(C)(CCC#N)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	554719991	QAWRTKSJZPIXEN-UHFFFAOYSA-N	406.280	5.037	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1	561797175	MGXDJBUIHXJOGC-HRCADAONSA-N	413.509	5.072	30	20	HKED	
CCOc1cc(CNC2CCC(Oc3ccccc3C#N)CC2)cc(Cl)c1OC	562074294	IEOUXVSLGLCJHW-UHFFFAOYSA-N	414.933	5.099	30	20	HKED	
CC(C)(C(=O)NCc1cccc(C#N)c1)c1csc(-c2c(F)cccc2Cl)n1	564397537	NWNBBKVBLDLLPY-UHFFFAOYSA-N	413.905	5.068	30	20	HKED	
CC[C@@](C)(C#N)c1nc(-c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)no1	570364347	UYZLLXQAIMASRT-DEOSSOPVSA-N	418.497	5.034	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccccc2C)n1)c1nc(-c2ccccc2)cs1	589287300	HZOYFDLOHFTOBV-UHFFFAOYSA-N	417.559	6.075	30	20	HKED	
Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603962260	QMLMZLFEBISXOF-GOSISDBHSA-N	406.917	5.279	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)on2)cc1	603995792	LBIQUTCNGDQUSF-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1	603996618	YATRMPLCVQOEIT-UHFFFAOYSA-N	401.513	5.161	30	20	HKED	
Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	604027188	MLKLBHXQHVMBSZ-MRXNPFEDSA-N	408.889	5.407	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	604486124	SEFXZERQYAGUFW-UHFFFAOYSA-N	415.562	5.562	30	20	HKED	
CCOC(=O)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1Cl	604502428	GEUKKXKQVXRSNX-UHFFFAOYSA-N	413.905	5.078	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	609572987	JVZLRQPXLKTACW-UHFFFAOYSA-N	414.509	5.169	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccccc1SCc1ccc(C#N)cc1	609665248	DYLJHXUHDRMQSJ-AUSIDOKSSA-N	412.558	5.869	30	20	HKED	
CC(C)n1cc2cc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)ccc2n1	609880519	KPSZHSUKZJDHDO-UHFFFAOYSA-N	414.440	5.673	30	20	HKED	
N#Cc1cc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c2ccccc2n1	610277326	RSYWMMSPBIAHBV-HXUWFJFHSA-N	402.256	5.130	30	20	HKED	
CC1CCN([C@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)c2cccs2)CC1	611092903	UBSOVIVTNDFMPV-QGZVFWFLSA-N	422.381	5.130	30	20	HKED	
CC[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1nc(C(F)(F)F)cs1	611095141	WONXYZQYIKZVKF-JTQLQIEISA-N	408.232	5.221	30	20	HKED	
N#C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc(Cl)cc1	611185896	ADHMTZGXQDALRE-AWEZNQCLSA-N	403.841	5.396	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc2ccccc2n1	677557010	ALMKOUZQAOZFPX-NRFANRHFSA-N	400.441	5.335	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](Cc1nccn1C)c1ccccc1	682778048	XDBSCJOLTFEELQ-QFIPXVFZSA-N	402.542	5.378	30	20	HKED	
N#Cc1ccc(NC(=S)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1Cl	726462368	KJFUHVMAOVUSBX-UHFFFAOYSA-N	410.905	5.318	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C)c(-c2ccc(F)cc2)s1	726755785	IBXGUZVYGZWPSN-UHFFFAOYSA-N	415.493	5.612	30	20	HKED	
N#CCCCOc1cccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1	727685701	XHMVKEBBNCLSKL-NBVRZTHBSA-N	418.493	5.844	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Br)c2O)cc1	730276791	RUQVWRCNNQJWJP-GOSISDBHSA-N	407.267	5.062	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730696186	REHLHRQXRPBKQX-QMTHXVAHSA-N	407.297	5.797	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	730920304	JKTGQBHSCSGWSR-SMIHKQSGSA-N	404.469	5.444	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Br)cc1Cl)c1cccc(Cl)c1Cl	731195506	IUIURRJJLJVTQG-CYBMUJFWSA-N	418.505	5.404	30	20	HKED	
COCCOc1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3C#N)c2)cc1	731320318	VGMRTTBFANXILK-ZROIWOOFSA-N	413.473	5.059	30	20	HKED	
C[C@H](Oc1cccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)c1)C(=O)O	731936986	FKODIYYRUOMBLX-JMRXEAOASA-N	423.465	5.014	30	20	HKED	
COc1ccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cc1[N+](=O)[O-]	731938613	QQWDFGWFRBPBPA-JLHYYAGUSA-N	410.426	5.079	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1	732593819	UDEKQCPRHGORCQ-DSNGMDLFSA-N	424.500	5.025	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c1	732708023	JRTUARQQNRPRIY-IBGZPJMESA-N	406.388	5.027	30	20	HKED	
CCN(CCc1ccccn1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	735040915	YZOBOODEGIUABX-UHFFFAOYSA-N	405.885	5.104	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(-c2cccs2)n1C1CC1	735230813	RLFGBMAUQQKXEA-UHFFFAOYSA-N	402.932	5.190	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC)c1ccncc1	739021082	UPBMBTGOBWXPTP-VQTJNVASSA-N	401.938	5.447	30	20	HKED	
COC(=O)[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)c1ccc(C#N)cc1	741737211	SINYSMVLQPUVHI-LJQANCHMSA-N	417.515	5.236	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cnc(C(C)(C)C)s2)cc1	744027765	CQPMTVOEYVRNTL-HSNDNRACSA-N	409.555	5.144	30	20	HKED	
CC/C(=C/C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1)c1cccc(Cl)c1	744510636	MMTFZEWNJZSXGW-QUHSPFQSSA-N	412.917	5.139	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@H](O)c1cccc(F)c1	752652070	CXEHAKKOSIHMTD-MWTRTKDXSA-N	419.456	5.042	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1ccccc1	757913826	LCQWYKUYAYBAST-UTKZUKDTSA-N	407.514	5.158	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21	758240906	DFCLVVXFFBJXCX-APWZRJJASA-N	407.539	5.649	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccnc(Cl)c3F)cc2Cl)cc1	763971809	OCGWXVKRSGCAJS-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1coc(-c2ccc(Br)cc2F)n1	768841095	IBJZBJALQLZLJM-UHFFFAOYSA-N	409.255	5.120	30	20	HKED	
N#C[C@H](C(=O)[C@@H](F)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	769296755	XRKNEIVBKZPMPS-PBHICJAKSA-N	405.281	6.004	30	20	HKED	
N#C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1	772671685	JQWLSKSJMZHNAB-HOTGVXAUSA-N	418.107	5.105	30	20	HKED	
N#C[C@H](COC(=O)Cc1csc(-c2ccc(Cl)s2)n1)Cc1cccs1	772735002	RVFMISVNQCDNFB-LLVKDONJSA-N	408.957	5.055	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)/C=C\c2ccccc2C#N)c2ccccc2)c1	775065675	ZIQDBQPWFQNBLQ-LAUMOQQDSA-N	410.473	5.112	30	20	HKED	
COc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1	776162447	HJBZWTHMSBTWMB-CJAUYULYSA-N	420.940	6.000	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1	780506425	FPALVBCKNKAFEW-UHFFFAOYSA-N	414.383	5.714	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	780671111	PALMAYQKANGKLJ-XOBRGWDASA-N	411.914	5.603	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1	787042816	YXCFHBDOZRXUFJ-VQTJNVASSA-N	424.591	5.145	30	20	HKED	
CC(=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl)c1cnn(C(C)(C)C)c1C	787150827	GNHRZJMPQMNYRU-UHFFFAOYSA-N	423.373	5.073	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1	787301115	CALSDEUEAOMLJT-OAQYLSRUSA-N	412.533	5.128	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccc(OC(F)(F)F)c(Br)c2)cc1	793220228	AXXLKSFSWPUNTL-LLVKDONJSA-N	415.209	5.251	30	20	HKED	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	802040097	GCVHVUTZICLQEH-OTWHNJEPSA-N	414.477	5.015	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1	802042986	NKHQXXQLKAOYGW-VGSWGCGISA-N	418.537	5.101	30	20	HKED	
N#Cc1c(F)cccc1/C=C(/Cl)c1nnc(C(=O)Nc2ccc(Cl)cc2)s1	811689316	YYWDPIYHOCKJAG-RIYZIHGNSA-N	419.268	5.191	30	20	HKED	
Cn1cc(/C=C/C(=O)c2ccc(Br)cc2C(F)(F)F)c(C(F)F)n1	812242429	QFKOTFYKTZFTES-GORDUTHDSA-N	409.152	5.035	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1	814577785	RPZHGGBOLNRKII-JWQCQUIFSA-N	407.517	6.101	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccccc2OC(F)F)cc(Br)c1O	916140315	LPDHQRYNZIGLIS-FPLPWBNLSA-N	413.214	5.051	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1	916931599	UDBNXARWDAAILC-HNNXBMFYSA-N	410.882	5.038	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc2ccc(F)cc12	916944509	GPEYEHBFQUZTBV-OAHLLOKOSA-N	405.212	5.148	30	20	HKED	
Cc1ccc(SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917044202	RCSQRFKPIIIYPB-AWEZNQCLSA-N	406.454	5.592	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2oc3ccccc3c2C)cs1	917559482	JNFQEMATPOUXOP-XFXZXTDPSA-N	420.465	5.918	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(SC(F)F)cc2)cc1	917804211	MDFFVCJVEJPPOE-UHFFFAOYSA-N	424.472	5.899	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccccc2OCC#N)cc1	919981948	YVWRFKJEJYAXGJ-UHFFFAOYSA-N	408.841	5.296	30	20	HKED	
Cn1cc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)c(-c2ccncc2)n1	920065296	KVFXZKCQFHBBMN-CLFYSBASSA-N	405.404	5.133	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3	920106586	TXEHYGUGWTVWGX-XOBRGWDASA-N	409.489	5.288	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3c(C)cccc3C)n2)cc1	920138123	AGDNGZYSXFPPNO-LJQANCHMSA-N	406.507	5.081	30	20	HKED	
COc1ccc(Cc2nnc(S)n2N=Cc2ccc(-c3ccc(C)cc3)s2)cc1	920481824	ADRNVGXDEICTFX-UHFFFAOYSA-N	420.563	5.085	30	20	HKED	
Cc1ncc(CO)c(C=Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)c1O	920990892	IDVHKTCRQNLSKZ-UHFFFAOYSA-N	402.372	5.150	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1	1791587693	GCUPXFUFZWMXTQ-NHCUHLMSSA-N	408.929	5.154	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](CC)c3ccccc3)C2)CC1	1809013862	YBMBBYDCSWKYOV-QHCPKHFHSA-N	424.629	5.404	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1	1814443021	HWFUFVLLLOENPH-UYAOXDASSA-N	412.578	5.141	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(O)c2)cc1C	10830386	NNRIHRKJQHUTDQ-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc(C)nc2sc(C)c(C)c12	22168406	AWGIOBMRWPKGTC-AWEZNQCLSA-N	417.625	5.373	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2cccc3ccccc23)n1	24284335	BYSIXWLIOQCFLY-CYBMUJFWSA-N	415.440	5.553	30	20	HKED	
Cc1c(C#N)c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2c1CCC2	24851531	ISCHQHWFZHEOIA-LLVKDONJSA-N	406.338	5.177	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1	41500571	KIHYKAPSZCXZCY-INIZCTEOSA-N	419.531	5.684	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(CCC(=O)Nc1sccc1C#N)C1CC1	54396475	RGEWMMGNATVNLO-CYBMUJFWSA-N	407.461	5.193	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2sc(Cc3ccccc3)nc2C)cc1	111018989	RZLFHDGNWPTIPF-UHFFFAOYSA-N	405.523	5.002	30	20	HKED	
C=CCn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccoc1C	301099809	QYNXHBCCMRRKIR-UHFFFAOYSA-N	400.813	5.251	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)cc1Cl	303234790	YXVLMHYVRRQGKN-UHFFFAOYSA-N	411.288	6.005	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)n1-c1nccs1	303316573	GYVMGHFKMKXKER-UHFFFAOYSA-N	414.490	5.467	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1	303804720	ASMVSJGHBCMSBC-OALUTQOASA-N	420.415	5.380	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Nc1ccc(C#N)cc1Cl	426162056	OOICVTCHDDNLBW-CQSZACIVSA-N	410.930	5.869	30	20	HKED	
C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(NC(=O)c2ccccc2)c1	429963382	DTUMHIUVPHESQN-KRWDZBQOSA-N	415.518	5.046	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	430910469	UQGAMMLKHKGDJB-QFIPXVFZSA-N	421.953	5.602	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	432327433	SRSGUBIPVQQATF-AWEZNQCLSA-N	411.914	5.436	30	20	HKED	
C=CCc1cc(C(=O)Nc2c(C)cc(C)cc2Br)cc(OC)c1OC	432520943	UWHZDWRYMATZEM-UHFFFAOYSA-N	404.304	5.064	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]1c1nc2ccccc2s1	433948904	OCTVBTHAQSXWNQ-LPHOPBHVSA-N	411.596	5.098	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1OC	435689671	CAHCDUWKNSFHCH-UHFFFAOYSA-N	420.563	5.556	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436389104	NEBBIQIPLIIWFI-NEPJUHHUSA-N	424.307	5.729	30	20	HKED	
CSc1ccc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	437515529	QAOYSOJXPKYCIK-UHFFFAOYSA-N	418.587	5.545	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(N(C)c2ccccc2)CC1	438668987	QDXWVWFICQVULP-SFHVURJKSA-N	408.571	5.071	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3csc4ccccc34)cc2)c1	440487002	KJPDJEJHYVGREF-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)sc2c1CCCCC2	443819201	VEICOTHDPIUENF-UHFFFAOYSA-N	404.495	5.068	30	20	HKED	
C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1C#N)c1ccc(Br)s1	443855450	LQMODWXYMSJALV-NSHDSACASA-N	417.353	5.853	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NCc1ccc(OCC(F)(F)F)c(F)c1	444009778	OFAZYSFZVACZJJ-MRXNPFEDSA-N	409.345	5.859	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cccc(SCC#N)c3)n2)cc1	445275737	XUPFVKAOKJOPEP-OAHLLOKOSA-N	406.511	5.047	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(C#N)c1C	445996822	SISZDRUUAZEJTK-CRFBAAHOSA-N	419.447	5.040	30	20	HKED	
CC[C@H](N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	447542798	KENIDPZZHOAQFC-DQEYMECFSA-N	418.562	5.101	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccccc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O	463033803	MJPBJOMUYYXVOC-CYBMUJFWSA-N	401.513	5.022	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3SCCc4ccccc43)cc2)c1	463480202	DUKDCHYVRMXNCZ-QHCPKHFHSA-N	400.503	5.106	30	20	HKED	
CO[C@@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(Cl)c1	464595957	KLTNAXZSWDKKBA-QFIPXVFZSA-N	406.869	5.121	30	20	HKED	
COc1ccc(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cc1	466233212	GWDNKCRDWGOZRO-UHFFFAOYSA-N	413.521	5.354	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2sc([C@@H](C)OC)nc2C)C(C)(C)C)cc1	467886140	MTXZKQUHTHUDFB-MRXNPFEDSA-N	402.560	5.165	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	468936143	LLZZGIKDKGVUFU-INIZCTEOSA-N	413.443	5.797	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2c(Cl)cccc2Cl)CC1	469478372	REGFSMLCWHPOBB-CYBMUJFWSA-N	405.350	5.915	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	470827194	LZFLDYKSXXEWNB-ZDUSSCGKSA-N	418.349	5.835	30	20	HKED	
N#CC[C@@H](CC(=O)NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccc1	474690194	JHNUBOWSPSGWQU-QFIPXVFZSA-N	402.469	5.108	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1	475546409	IHXXGNKASRTKHU-UHFFFAOYSA-N	419.500	6.187	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	476124891	YYYBHBWTMDVCHL-FQEVSTJZSA-N	408.517	5.169	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	476160590	SPFQUMRTKOZHMN-UHFFFAOYSA-N	422.403	5.640	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)C[C@@H](c3cccs3)n3cccc3)s2)cc1	478595483	WSOPWGVRVJCKBQ-IBGZPJMESA-N	418.547	5.087	30	20	HKED	
C=C(C)Cn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1ccncc1	481360519	UKJDISUXQKHROI-UHFFFAOYSA-N	407.474	5.003	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nc(C2CC2)cs1	483350012	YEPQUBWMWLYCCL-UHFFFAOYSA-N	418.522	5.101	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC	486419784	RGWVEIQGELETBZ-UHFFFAOYSA-N	424.566	5.242	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1	486868813	LKXSVUWQEYBQOU-GHTZIAJQSA-N	424.932	5.382	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	488784952	QDPGQWJAZFGDSF-SNVBAGLBSA-N	419.293	5.034	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4ccccc4c(O)n3)cc2Cl)cc1	490994744	MEEVZZCSHIIKCO-UHFFFAOYSA-N	415.836	5.510	30	20	HKED	
C[C@H](C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(F)c(F)c1	493506912	OJVSBENXPJKFGN-VFZGTOFNSA-N	409.301	5.090	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)CCCc1ccccc1	495860797	CYWFVLYYUVFSKG-UHFFFAOYSA-N	413.521	6.042	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	496190017	QUIALXVOCBEJNR-QETWGEEDSA-N	421.541	5.050	30	20	HKED	
CC(C)[C@H](c1ccccc1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	497717997	XCEBNCYZOCQLKB-UBVWURDFSA-N	405.542	5.287	30	20	HKED	
C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	498094171	IOLJTUSTECUKRK-CZUORRHYSA-N	400.466	5.245	30	20	HKED	
C=CCN(Cc1nnc(-c2ccc(C)cc2)o1)Cc1cc(Br)ccc1F	502197654	SMRHBFPRWRCTLK-UHFFFAOYSA-N	416.294	5.135	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3nc(C(C)C)sc3c2)cc1	502596085	NOVBTGFOVADEHS-UHFFFAOYSA-N	409.515	5.371	30	20	HKED	
C[C@@H](Cc1cccs1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	502990321	OBRWOAPPGVKRRB-MGPUTAFESA-N	409.942	5.810	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(OCc2ccccn2)cc1	503010475	CHVWLKKVNKZULG-SFHVURJKSA-N	417.534	5.236	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccnc2)C2CC2)cc1Cl	503287790	ZUEJBOQOUBZVAQ-QFIPXVFZSA-N	416.912	5.587	30	20	HKED	
N#CCCN(CC1CC1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	505201302	QGBMLCAZRMDJAH-UHFFFAOYSA-N	416.308	5.012	30	20	HKED	
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(SC2CCCC2)cc1	506238682	QTQMWNNSDQXCCI-UHFFFAOYSA-N	422.598	5.189	30	20	HKED	
O=[N+]([O-])c1cc(F)c(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	509006618	KSQQWFGVVLSQOZ-AWEZNQCLSA-N	414.252	5.285	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCc2ccccc21	510022494	DESKQHCAJUCEOQ-UPVQGACJSA-N	415.924	6.147	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Br)c1	510466225	VNZXVXJNLAWEMG-MAUKXSAKSA-N	403.707	5.014	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)c4ccccc34)n2)cc1	512504958	VRASQPBDDWWHKU-HXUWFJFHSA-N	414.486	5.471	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCC(C)(C)CCC#N	513118975	RUBMDKYPILWCRV-UHFFFAOYSA-N	409.374	5.196	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C(C)C)n1	513467482	ALVPIONXQMIYJB-LJQANCHMSA-N	404.901	5.470	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c2cc(Br)ccc2n1	513747919	XWHBRTMCLASPOB-UHFFFAOYSA-N	400.663	5.083	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1	516641483	TYAONTFLQLKWLW-BTYIYWSLSA-N	401.466	5.697	30	20	HKED	
CCOc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1	516838624	QFRONZXQGWJGMU-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Sc2ccccn2)cc1	517518633	OWUXXEJOKUWJBH-MRXNPFEDSA-N	405.548	5.879	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccccc2NC(=O)c2cccs2)c1	517646095	PTFDNEDNKBXJNS-UHFFFAOYSA-N	419.506	5.060	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	518030478	WLDCHHYYAVROEV-JWQCQUIFSA-N	414.480	5.038	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl	518649604	DJHZUMJKTAPVKN-SECBINFHSA-N	407.369	5.107	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)cc2)ccn1	521450318	SZXCQLVYJPJMHF-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2)nc1	521953659	MEFUGSHRWCRYDA-IBGZPJMESA-N	411.383	5.169	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1	524382241	SEKWDTPNTYCFBW-UHFFFAOYSA-N	419.840	5.118	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)c1cnn(C(C)C)c1)c1ccc(C(F)(F)F)cc1	532726039	MUFDERSQMDOWBP-BEFAXECRSA-N	408.468	5.551	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(C#N)c(Cl)c1	535876601	PFQHGHRXBNQZLG-UHFFFAOYSA-N	416.333	5.584	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1	537148952	HVAQLMZWLZECLZ-UHFFFAOYSA-N	420.494	5.201	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F	537419972	GOQSFNCTWAMAOC-QHCPKHFHSA-N	417.459	5.167	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Oc4ncc(Cl)cc4Cl)cc3)cc2)CC1	537433874	VETKTJRWYZKZBV-UHFFFAOYSA-N	424.287	5.988	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccccc1Nc1ccccc1)c1ccccc1	539706862	NWHQXHBKPFSUTF-UHFFFAOYSA-N	412.493	5.096	30	20	HKED	
CCN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccc(C#N)c(Cl)c1	540274191	GUSGEJXTUSPQPD-UHFFFAOYSA-N	407.905	5.081	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(OCc2cccnc2)c1	540877082	UCORFZNQAVGVNG-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	542178771	GOPQDSVTXUNLHJ-OAHLLOKOSA-N	422.275	5.231	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	544235777	JEWGRLGEGPKSNY-KXBFYZLASA-N	424.957	5.719	30	20	HKED	
C[S@](=O)Cc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	545819085	VXEKFLPVTHVRPW-LJAQVGFWSA-N	424.909	5.135	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	549063125	DXKXJBVAFCTWHU-UHFFFAOYSA-N	412.537	5.543	30	20	HKED	
COc1cc(CN[C@H](C)c2cc(F)ccc2OC)ccc1OCc1cccc(C#N)c1	552919704	FXMBVSQWZRQQLN-QGZVFWFLSA-N	420.484	5.144	30	20	HKED	
CCc1sc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Br	559682045	SUEYDIPUJXNQLR-NSHDSACASA-N	409.374	5.720	30	20	HKED	
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	559861734	DGNVNMRNHRIMDG-KUHUBIRLSA-N	414.393	6.810	30	20	HKED	
C[C@@H](CNc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1	567965172	URYMLWBQAQOJMJ-INIZCTEOSA-N	415.459	5.504	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1nc2cc(Cl)ccc2s1	569936722	BEXVEAAICPEIAN-GOSISDBHSA-N	409.942	5.426	30	20	HKED	
COc1ccc(C2(c3noc(C[C@@H](CC#N)c4ccccc4)n3)CCCC2)cc1OC	571482437	SQZLQTJJHBKIJI-LJQANCHMSA-N	417.509	5.187	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(F)c1Cl	572192033	UHTYWSFJDSAXGH-ZDUSSCGKSA-N	408.951	5.603	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N(CC3CC3)c3cccc(C(F)(F)F)c3)on2)c1	574094697	CRDYMLVKTHLDJW-UHFFFAOYSA-N	411.383	5.289	30	20	HKED	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	576676072	BFJFJIFNQNPUBV-MWTRTKDXSA-N	400.503	5.103	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)n1	580655663	DEMFIIVUHKHESQ-MRXNPFEDSA-N	420.563	5.296	30	20	HKED	
CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)[nH]c(C)c1C(C)=O	590235106	QOTGXKUNUAICKZ-UHFFFAOYSA-N	415.493	5.100	30	20	HKED	
CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1)c1ccccc1	591862514	TZFLFGCMXJXTIG-QFIPXVFZSA-N	405.457	5.001	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3cc(-c4ccccc4)n(-c4ccccc4)n3)[nH]c12	605362386	DUBRQPLJZQCLLU-HXUWFJFHSA-N	417.472	5.214	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	606916238	FDHCFPHCIAQVJR-UHFFFAOYSA-N	423.435	5.761	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](Sc1ccccc1)C(C)C	608897117	NRCOXEPMZOGLDU-QFIPXVFZSA-N	417.534	5.809	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccc(C(F)(F)F)c1	609460571	AQROZJAOXLXHTJ-MRXNPFEDSA-N	405.763	5.008	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Oc1ccncc1	609644378	PKDQFSTYBPIOHN-MRXNPFEDSA-N	403.507	5.686	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2s1	613289625	XAGDBRXYVOISGA-LJQANCHMSA-N	420.497	5.639	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C)nn1C(C)(C)C	623734665	RHNPFUMXYDUKAU-UHFFFAOYSA-N	423.330	5.068	30	20	HKED	
C=CCn1c(S[C@H](C(=O)N(C)C2CCCCC2)C(C)C)nnc1-c1ccccc1	637752105	FHKVVXCJRGXVEC-FQEVSTJZSA-N	412.603	5.039	30	20	HKED	
FC(F)c1cc(N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c2cc(Cl)ccc2n1	673438248	IMWDZZPOJBBSHU-UWVGGRQHSA-N	418.715	6.003	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccccc1Cl	678970356	QTTLGSVSYMAUOP-CYBMUJFWSA-N	410.861	5.073	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)coc12	681173524	DXISEHQCXQTVSW-INIZCTEOSA-N	405.251	5.542	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1c(Cl)cccc1Cl	726321937	CGVUZGOSFCAZGN-ONGXEEELSA-N	409.725	6.236	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2cccnc2Oc2cccc(F)c2)cc1Cl	726460677	HLGLOCCHLCOXGT-UHFFFAOYSA-N	412.877	5.025	30	20	HKED	
Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2C)c1	726571333	TVAHIDKCBZNDRS-UHFFFAOYSA-O	420.945	5.439	30	20	HKED	
N#CCCCOc1cccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)c1	726741824	HLGOIMIHRMUZFA-SOFGYWHQSA-N	410.267	5.774	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1c(C)cccc1C	728062545	MLEAPCCNKJBHAJ-FQEVSTJZSA-N	413.521	5.502	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1	728738272	NRDYANCETVQSGW-FTJBHMTQSA-N	409.533	5.971	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	729066737	BGLVRTFEKWDEIG-YOEHRIQHSA-N	405.523	5.036	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)ccc2c1	730416126	ASMRKCXEJZRIJF-UVLQEVCMSA-N	402.450	5.487	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OCc3occc3C(=O)O)cc2)ccc1SC	730948808	LSXNMXVGCAIYJN-WEVVVXLNSA-N	424.474	5.183	30	20	HKED	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1F	731400852	VMDBWINIHMTMNK-INIZCTEOSA-N	414.550	5.245	30	20	HKED	
Cn1c(CC(=NOCc2ccc(OC(F)F)cc2)c2ccccc2)nc2ccccc21	731664771	WAYSYNHRPYNMFZ-UHFFFAOYSA-N	421.447	5.338	30	20	HKED	
C=CCCO[C@H](C)C(=O)O[C@H](c1c(F)cncc1Br)C1CCCCC1	732524162	QIWORMVAZVNBAN-ACJLOTCBSA-N	414.315	5.129	30	20	HKED	
CCN(C(=O)Cc1ccc(Cl)cc1Br)[C@H](C)c1ccc(C#N)cc1	733218520	OOTMWCBUZLBZFJ-CYBMUJFWSA-N	405.723	5.126	30	20	HKED	
CN(C)Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2ccccc12	733920759	LDQDXBBUDBFDKS-QFIPXVFZSA-N	409.489	5.402	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1ccncc1	734237900	VYQRWBBXXVKVJE-JOCHJYFZSA-N	411.509	5.121	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	735309825	UYZFRNGAWGJGFA-IBGZPJMESA-N	411.716	5.123	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c2)[nH]c1C	737805449	FPELDYKHFPWSCW-UHFFFAOYSA-N	407.477	5.561	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OCC1CCOCC1	741166847	CCQVGCSDSIDDDT-UHFFFAOYSA-N	415.946	5.134	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	744062630	TZIPRCFYIIYNAI-KXBFYZLASA-N	403.482	5.266	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	747843121	LXYHYUAQEHULMY-RLFYNMQTSA-N	411.958	5.250	30	20	HKED	
N#Cc1csc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)c1	748662511	SQTGCCJCINUOGS-MLPAPPSSSA-N	410.517	5.340	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)n1	752487396	IOHKTXLVDIIPSN-IBGZPJMESA-N	418.518	5.141	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H]1C[C@H](C)c2c(C)cccc21	753912924	HAOVSUSPDGWMOM-UCNVEGJOSA-N	402.538	5.448	30	20	HKED	
O=C(/C=C\c1cccnc1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	759181970	RHDQBHQNTPQBPL-QXMHVHEDSA-N	413.527	5.715	30	20	HKED	
O=C1/C(=C/c2coc(-c3ccccc3)n2)COC/C1=C\c1coc(-c2ccccc2)n1	759611277	CBWQMINNAHMSBO-AYKLPDECSA-N	410.429	5.063	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F	761665588	RZBAXPNBAQEDOV-UHFFFAOYSA-N	407.420	5.101	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	763470499	RNNWPZUURHETPW-HOJAQTOUSA-N	421.541	5.084	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](O)c2ccccc2Cl)cc1Cl	764836278	BRLMYGMNUVUJLR-GHTZIAJQSA-N	411.288	5.321	30	20	HKED	
COc1ccc([C@H](OC(=O)Cc2ccc(OCC#N)cc2)c2ccc(Cl)cc2)cc1	766514722	KPCPLELFKLRCGU-XMMPIXPASA-N	421.880	5.126	30	20	HKED	
Cc1nc(CON=CC(=O)Nc2ccc(F)cc2Cl)oc1-c1ccc(Cl)cc1	768518454	QRSFEHXEBFPHND-UHFFFAOYSA-N	422.243	5.237	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCOc3ccc(Br)cc32)c1	772982061	CXVLZBCVJQXMRA-XLIONFOSSA-N	415.331	5.134	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2csc(-c3ccc(OC)cc3)n2)cc1	774581667	XDAYTZUHPUUDIS-UHFFFAOYSA-N	422.506	5.080	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	780470969	GCURCZROVVSIFV-INIZCTEOSA-N	415.453	5.265	30	20	HKED	
CCCc1c(NC(=O)Nc2ccnn2C2CCCCC2)cnn1-c1cccc(C#N)c1	784433603	WWXSGFCWYAQSAZ-UHFFFAOYSA-N	417.517	5.042	30	20	HKED	
C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Cl)c(C(F)(F)F)c1	791672828	RWGWIPXLSJISFK-WBMJQRKESA-N	406.791	5.217	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccccc2Br)CC1)c1cc(C(F)(F)F)ccn1	797287648	UHDXZOCZEFJOOC-AWEZNQCLSA-N	423.232	5.062	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)s1	797569899	ZGUUDUVKIQXUJB-BZUAXINKSA-N	421.591	5.977	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1	797668361	SIMUELFAJRVQJE-UHFFFAOYSA-N	402.401	5.022	30	20	HKED	
CCN(C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)[C@H](C)c1ccc(C#N)cc1	810438365	TZGUHRPVABPBKX-OAHLLOKOSA-N	413.543	5.214	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1Cl	814302475	FQIYEQPBCHAAKO-INIZCTEOSA-N	400.906	5.102	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1ccc(Cl)cc1Cl	815908611	FWUDXTFYGIFASG-LBPRGKRZSA-N	420.683	5.018	30	20	HKED	
CCCCSc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1	857317017	BJWLMCCYEZSZGD-OAHLLOKOSA-N	420.629	5.166	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)ccc2N1	915993287	MWBCJPWSKZKLGA-YFHOEESVSA-N	404.447	5.104	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1c(-c2ccccc2)[nH]c2ccccc12)CCCC3	916288900	ZZXJPKIKTHYSAL-UHFFFAOYSA-N	424.529	5.367	30	20	HKED	
Cn1c([C@H](C#N)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc21	916844063	UIDDLGQDIBATKN-OAQYLSRUSA-N	407.473	5.080	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)c(Cl)c1	916942165	HMRVELHHYTZGSK-LBPRGKRZSA-N	402.064	5.261	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2c(F)cccc2s1	916945228	STFDYRXBUDAKEN-CYBMUJFWSA-N	407.253	5.308	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3C(F)(F)F)n2)cc1	916974772	PQIMUWFOOLKMOC-OAHLLOKOSA-N	416.424	5.393	30	20	HKED	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917040263	JDTKPMZQIDIZLP-WMLDXEAASA-N	411.452	5.373	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc(CC(C)C)cc1	920105650	JTWNCVULJJMUNT-NRFANRHFSA-N	414.505	5.230	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1	1790954356	FXPOFXBZGAFTSK-UHFFFAOYSA-N	414.505	5.374	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2	1798592039	BPOLJTICWYGFBW-BJWYYQGGSA-N	423.384	5.238	30	20	HKED	
N#CCc1ccc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)cc1	11001003	TWBFNWLAAWALSY-UHFFFAOYSA-N	416.477	5.938	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1cccc(OC)c1	11261116	JPWZSWSUZISGNI-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1	14670804	PXGSGWVQAGEMHL-SFHVURJKSA-N	409.580	5.350	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2cc(F)ccc2F)n(Cc2ccccc2)c1C	15028316	HDDCZMRRWNYXJN-UHFFFAOYSA-N	411.477	5.034	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccccc2CC)c1	22732419	GHLNSUWNLWYXAA-UHFFFAOYSA-O	409.600	5.520	30	20	HKED	
Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2ccc(F)cc12	32040734	UYWFITOZUUNMGN-NXEZZACHSA-N	411.317	5.520	30	20	HKED	
N#CC1(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CCCC1	52773456	IJVBLTXBIPYZNP-UHFFFAOYSA-N	413.355	5.160	30	20	HKED	
COc1ccc(Cl)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	55823485	XKXFOAIGDDWDCC-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COc2cccc(F)c2)c1	63391163	SSRIGCBLAWRAFW-UHFFFAOYSA-N	415.468	5.496	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	63962538	AVYFSEJYGPAVIH-AWEZNQCLSA-N	411.914	5.436	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)ccc1Cl	105414865	LEKTYHNKGJXLEO-UHFFFAOYSA-N	418.305	5.082	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1	108846024	SAONTJPCLZOHQN-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
COc1cc([C@H](C)Nc2ccc3cc(C#N)ccc3n2)ccc1OCc1ccncc1	301984436	SCTMQRNTWVBVNH-KRWDZBQOSA-N	410.477	5.262	30	20	HKED	
C=CCOc1c(Br)cc(CN2CC(C)(C)[C@H]2c2cccnc2)cc1OC	430110345	HVIGFECFZNJKPX-HXUWFJFHSA-N	417.347	5.001	30	20	HKED	
CN(C(=O)c1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1)c1ccccc1	430604163	PGVQJTCWHIYFEA-IBGZPJMESA-N	417.534	5.207	30	20	HKED	
CC(C)[C@H]1N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC12CCC2	432924680	ZNXPZNXHQPOWNT-HSZRJFAPSA-N	403.526	5.374	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4cnc[nH]4)CC3)cc2Cl)cc1	435098625	ZRFUCHMPFFKQOS-UHFFFAOYSA-N	421.888	5.139	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(Br)c(Cl)c3F)CC2)cc1	436046350	QQCNDLCVKXMLAD-UHFFFAOYSA-N	419.681	5.043	30	20	HKED	
C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1	436109138	XTTNXPXXPHJLRB-SFHVURJKSA-N	424.504	5.111	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccccc3)CC(F)F)c2)c1	437171813	OTPWSXHMHFPSFA-UHFFFAOYSA-N	406.432	5.045	30	20	HKED	
CC[C@@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1	437556995	MHJIRTGQVHEUEL-WMLDXEAASA-N	406.473	6.089	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(Cl)c1	438888846	XHRKCUKPQKDNPQ-UHFFFAOYSA-N	406.898	5.404	30	20	HKED	
N#Cc1cccc(CCNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1	439421257	NJZSQEOSCAIYFU-UHFFFAOYSA-N	416.428	5.065	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2cscn2)c1)c1nc(-c2c(F)cccc2F)cs1	442808661	IGIMYAQVBVDDFU-AWEZNQCLSA-N	423.469	5.702	30	20	HKED	
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(C)c1	444051059	RKSZOTMTIAHULQ-SFHVURJKSA-N	416.525	5.034	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1ccsc1)c1nc(-c2ccc(Cl)cc2)cs1	444456452	DODVXDXBXDOURK-AWEZNQCLSA-N	410.911	5.405	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	446872896	MYEUCORFXBFVPS-HXUWFJFHSA-N	401.432	5.234	30	20	HKED	
O=S(=O)(Cc1cccc(NCC#Cc2cccc(Cl)c2)c1)C1CCCCC1	448064799	PWOHBVLTYOVZQI-UHFFFAOYSA-N	401.959	5.051	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1c(F)cccc1Sc1ccccc1	464166682	FXRBUVAJWKOQJO-UHFFFAOYSA-N	422.481	5.126	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464462511	ABULYNMTVJTCSW-OAHLLOKOSA-N	419.403	5.085	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)n1	466721774	GODWUXWTQIKJMC-NSHDSACASA-N	405.310	5.780	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1c(F)cccc1OC(F)F	467704422	DWTQLKFKQKBFGR-GFCCVEGCSA-N	409.433	5.143	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(-c4ccco4)cc3F)cc2)nc1	468375417	SVEJWVJSBOJLFV-UHFFFAOYSA-N	413.408	5.075	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	474902296	YDGZEEXINSBFNB-NFBKMPQASA-N	413.908	6.022	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1	480890242	CZIPFNVJFMGFMA-LBPRGKRZSA-N	411.458	5.497	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1	482927119	JDSKWAOFINZVOZ-LAUBAEHRSA-N	411.546	5.243	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1	483000300	ZWWUXQNAPWVVCJ-QGZVFWFLSA-N	414.349	5.185	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)cc1F	483223882	BWADUMOMHLPPSD-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
Cc1cc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)ccc1C#N	489019716	ZMOWCDWHTWPKJA-JOCHJYFZSA-N	406.327	5.098	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1cccc(Cl)c1	489628371	MYDRXVOLJHJNNH-CQSZACIVSA-N	423.929	5.688	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(C(F)(F)F)cn1	495299182	LKNDCKVNCLSUPK-AWEZNQCLSA-N	424.300	5.869	30	20	HKED	
CCCC[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cc(C)on1	495549286	VLZIVRCYOKEXQW-HXUWFJFHSA-N	404.470	5.256	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)c(F)c1	495588800	BUDHAEMSBMEKQH-UHFFFAOYSA-N	415.468	5.440	30	20	HKED	
CC(C)CN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1ccc(C#N)cc1	499330977	WMOHNWXUJNNYLH-UHFFFAOYSA-N	403.530	5.310	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)c1	500236895	ICTDUXRKYBSKHY-HSZRJFAPSA-N	401.535	5.087	30	20	HKED	
Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)no1	501367271	YGLGMJZSHDNRBG-OAQYLSRUSA-N	417.469	5.191	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4nc(O)oc34)cc2Cl)cc1	503397206	ZQUUZXNHKAHPIJ-UHFFFAOYSA-N	405.797	5.103	30	20	HKED	
Cc1ccc(S[C@H](C(=O)Nc2cc(C)n(CCC#N)n2)c2ccccc2)c(C)c1	504099355	GGFJXPXJCCYNFA-QFIPXVFZSA-N	404.539	5.194	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCCSc3ccc(Cl)cc3)CC2)cc1	504711847	KZEZKHRLRKCVMC-UHFFFAOYSA-N	414.958	5.154	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1	505004505	DLFBCNHGGKFNAA-HSZRJFAPSA-N	419.569	5.112	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)N[C@H](C)c2ccc(C#N)cc2)s1	505364367	OYYVWSYSINTEFS-LJQANCHMSA-N	403.551	5.444	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](c1cncc(Br)c1)C1CC1	505373455	SMQNOACIDGRAPH-FQEVSTJZSA-N	414.347	5.083	30	20	HKED	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1	505504297	CAXFFZQATZIUPF-UHFFFAOYSA-N	408.461	5.046	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@]2(CC=CCC2)C1	512560598	SBMDANVVBYNJAJ-AREMUKBSSA-N	415.537	5.800	30	20	HKED	
Cc1c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)cccc1[N+](=O)[O-]	513202800	YJCJTSMTPCBGSB-MRXNPFEDSA-N	416.437	5.006	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1C	514822357	VOWFSWUHFZWWJH-CQSZACIVSA-N	404.322	5.508	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1	514913528	VCAMRUVCBMIPOR-HSZRJFAPSA-N	410.546	5.394	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1	518256571	GJNFENQSFZKLFS-IRXDYDNUSA-N	415.584	5.355	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	518373348	SWRVDFHDNBKWQZ-IBGZPJMESA-N	416.546	5.699	30	20	HKED	
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	519957611	IOFWZBIHHCVEIS-CYBMUJFWSA-N	420.529	5.160	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H](CC)c1ccccc1	520840908	WCCPWOZZVNPYPO-FQEVSTJZSA-N	409.555	5.021	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2ccccc2)n1	521726067	LIVNCWINFIUIPN-MRXNPFEDSA-N	423.563	5.465	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccco2)nc1C	523867209	ZGHRRSRUBVNEMM-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1	524565591	AFVVOVSIVZNIMK-SFHVURJKSA-N	421.566	5.374	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccc2ccccc2c1	524614129	SZKFQNKKEIRFMX-ROUUACIJSA-N	420.603	6.667	30	20	HKED	
Cc1cc(C(=O)NCCCCC#N)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl	524973773	JDKGYVZWZBRODA-HNNXBMFYSA-N	404.341	5.899	30	20	HKED	
CN(C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)C1(C#N)CCC1	525067841	UXVWJNNFGSYXNY-UHFFFAOYSA-N	405.350	5.804	30	20	HKED	
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	531314697	KTFLOBYAESUXDM-SYYKKAFVSA-N	407.583	6.128	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1Cl	533466226	BWVJLDRJDZGAHV-MHECFPHRSA-N	415.961	5.320	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCC(F)(F)CC2)cc1Cl	534896595	HOYITIGTJAOUOK-SFHVURJKSA-N	403.860	5.695	30	20	HKED	
COc1ccc2nc(C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2c1	536714175	FFDOYUWFCVJWOK-HXUWFJFHSA-N	413.502	5.474	30	20	HKED	
Cc1ccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2Cc2ccco2)cc1	537506093	DBMRLCBWOXOFIY-UHFFFAOYSA-N	422.554	5.088	30	20	HKED	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccccc1Oc1ccccc1C#N	539777731	ZJJOMXZOFCXFNX-UHFFFAOYSA-N	413.477	5.506	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2cc(C)oc2C)o1)c1ccc(C(F)(F)F)cc1	540434838	UZSDGLBTNZVYIZ-GOSISDBHSA-N	405.420	5.762	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)cc2)CC1	540730769	REKDYVXPXSDOJV-UHFFFAOYSA-N	409.205	5.275	30	20	HKED	
Cc1csc([C@H](NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)n1	541156060	VXMYKHHIRSDMPJ-OPAMFIHVSA-N	416.550	5.502	30	20	HKED	
COC(=O)[C@H](C)Oc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541211963	CTGIXDFRNXQGEG-MOPGFXCFSA-N	414.505	5.016	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	543563569	MTZMGNVTWWJUKH-HNNXBMFYSA-N	406.511	5.349	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1CCc1ccccc1	543593619	BAVJWSHAJBYVIP-TZIWHRDSSA-N	407.583	5.958	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(F)(c2cccc(Cl)c2)CC1	549677093	QORNCYQHMFEEBI-QFBILLFUSA-N	418.944	5.070	30	20	HKED	
N#CCCC[C@H](N[C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1ccccc1	550827130	KNEAMSHEDFOVNE-IMSXRSKXSA-N	415.537	5.009	30	20	HKED	
Cc1cc([C@@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2Cl)ccc1F	551804709	IPQSBVDBJFFIDF-HSZRJFAPSA-N	404.876	5.186	30	20	HKED	
CC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1F	552287471	IFBZPDOHANAMNJ-UHFFFAOYSA-N	408.816	5.598	30	20	HKED	
C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1	558457171	UROVMJSTWQRAPN-IBGZPJMESA-N	419.529	5.145	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nccn1-c1ccccc1	561434045	GPIFUQBCYBEURY-SFHVURJKSA-N	401.539	5.094	30	20	HKED	
Cc1noc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	562133199	ZWPSKROFLFTVPC-SFHVURJKSA-N	423.860	5.064	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2cccnc2)CCCC1	573520857	DXNSEUZSQTXFAJ-UHFFFAOYSA-N	411.505	5.291	30	20	HKED	
N#CCCN(C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccc(F)cc1	581982241	QAHFBIAWVYYXEP-UHFFFAOYSA-N	402.256	5.688	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	588349121	XEUVTQMITQVAGF-CQSZACIVSA-N	423.271	6.545	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1	599424824	XWWAWQSEWGAKGO-UHFFFAOYSA-N	409.505	5.108	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccnc(Oc4ccccc4)c3)cn2)c1	604535165	FZZMDTWEUYEZJD-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1ccc2c(c1)[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CC2	609296345	LQSZLOATKMHWAQ-RUZDIDTESA-N	413.496	5.405	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	609297369	NQHUGMCMGSLLSU-QFIPXVFZSA-N	408.473	5.328	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1	609377938	LNCWLYDDQQMUGJ-MRXNPFEDSA-N	406.482	6.122	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCOCc1ccccc1	609378520	MRGKXTLBVMKWBA-UHFFFAOYSA-N	408.445	5.257	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)c(F)c1	609389256	GPWGLXCXLLGKKQ-ZIAGYGMSSA-N	406.523	5.792	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1	610142631	DYQJWPPKYOPJDH-RBUKOAKNSA-N	407.583	6.334	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610321184	KIGOKLFFXSGPSG-ZHRRBRCNSA-N	416.456	5.500	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(C#N)c1	610408455	XICFZVBQHHZHRM-SFHVURJKSA-N	412.468	5.042	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc(OC)c1C(C)C	611568013	RJURYIRKVKFXFQ-UHFFFAOYSA-N	417.465	5.138	30	20	HKED	
CSc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1NC(C)=O	613407614	ZQKWXUCBOTXSLH-CYBMUJFWSA-N	415.927	5.120	30	20	HKED	
CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	620304262	OZUOIVKSQSTSIK-MRXNPFEDSA-N	412.461	5.613	30	20	HKED	
C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F	642636595	SNLDDUXUWFVCDH-GUBZILKMSA-N	418.328	5.235	30	20	HKED	
COCCC[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	669613217	RGUAXOIXZLYDAO-YQFWSFKMSA-N	415.393	5.793	30	20	HKED	
CC(C)(C)c1nc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cs1	726687182	VHFDJIWSYPCIOV-UHFFFAOYSA-N	404.535	5.497	30	20	HKED	
CCn1c(/C(Cl)=C/c2ccc(OC)c(OCCCC#N)c2)nc2cc(F)ccc21	727267765	PURJXDJUXLFBPI-ATVHPVEESA-N	413.880	5.623	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C	727978969	QYOHYUFPPCBQGZ-UHFFFAOYSA-N	401.535	5.871	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1cccnc1Cl)C(=O)c1ccccc1	728698099	CMLQRMLNOYWWNL-PGMHBOJBSA-N	418.924	5.765	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@@H](c2cccc(F)c2)c2ccccn2)cc1OC	729193393	LIDBKKCWYWPFGB-RCZVZRIZSA-N	419.452	5.140	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1	731063888	UTSHMKXBRAALLJ-GFCCVEGCSA-N	423.321	5.183	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)c1	733774192	CEHFZSZUWJJVCP-HXUWFJFHSA-N	418.468	5.112	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	739142262	IFXRITQWYWYIMR-SCLBCKFNSA-N	412.411	5.266	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(C#N)cc1	739304890	QGKDVDSNZAYFOA-HUUCEWRRSA-N	410.470	5.201	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1SC	741447256	KCKZOGJCMOOTBY-NTUHNPAUSA-N	416.564	5.030	30	20	HKED	
O=C(/C=C/c1cc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)CC(F)F)cc1	741852782	SHKCYWQQBPWKEK-DHZHZOJOSA-N	418.486	5.350	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1	743093272	QKQJWYWBPNTGHC-DHIUTWEWSA-N	419.912	5.505	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037922	JFQOTYZTBIDJBR-CRNXPOROSA-N	424.488	5.865	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1)c1ccccc1	749221854	PWEDUWVBOFLURV-XZOQPEGZSA-N	419.550	5.038	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2cc(C)ccc2F)cc1	751014605	QHENFXRORRGYQZ-UHFFFAOYSA-N	407.470	5.616	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1ccc(C#N)cc1OC(F)F	753907858	FDROFFNCIGTGJG-UHFFFAOYSA-N	403.429	5.427	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1C#N	754885490	ZQLPBNFEBJFCGC-UHFFFAOYSA-N	420.856	5.094	30	20	HKED	
Cc1nc(NN=Cc2cnc([C@@H]3CCCO3)s2)c2cc(-c3ccccc3)sc2n1	755521458	QJLWRYOTNRIGIH-KRWDZBQOSA-N	421.551	5.421	30	20	HKED	
Cc1nc2sccc2c(=O)n1N=Cc1nc(-c2cc(Cl)ccc2Cl)cs1	755603651	GTMPQQUUHWGQBM-UHFFFAOYSA-N	421.334	5.079	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1CCC(C)C	756650062	CUMCHAPLHKTBBE-QFIPXVFZSA-N	400.526	5.399	30	20	HKED	
C#CC[C@@H](NC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C)c1ccccc1	757064710	MZEYHFMDXUYOFW-GHTZIAJQSA-N	403.551	5.586	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)cc2)c1	759845200	OZSDAOBFBVTYDF-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c1	760482419	MHVFIFQCHQXNBH-UHFFFAOYSA-N	414.836	5.078	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccccc2C(F)(F)F)nnc1-c1cccs1	764690888	USIDNNAVURLRLW-AWEZNQCLSA-N	411.474	5.037	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccco2)s1	766254577	LZZVGCMNGNBALF-NSHDSACASA-N	405.262	5.276	30	20	HKED	
Cc1c(C(=O)/C=C\c2cccc(-c3cccnc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	768489705	FVNSUOARAFNPGE-HJWRWDBZSA-N	403.394	5.078	30	20	HKED	
O=C(/C=C\c1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)cc1Cl	768849998	VVADZVLHFNDTBD-HJWRWDBZSA-N	410.926	5.196	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@H](O)c1ccccc1	775562277	MPOGQBRACWHFHU-ISKFKSNPSA-N	415.493	5.293	30	20	HKED	
C[C@H](NCc1ccc(Br)cc1C(F)(F)F)c1ccc(OCC#N)cc1	776170049	HRGYJKIYHGXBSE-LBPRGKRZSA-N	413.237	5.221	30	20	HKED	
CCN(Cc1ccccc1NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)OC(C)(C)C	776818157	OMYRNKBGIGMQOM-UHFFFAOYSA-N	419.525	5.251	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NC(=O)c1ccc(Sc3ccccc3C#N)cc1)CCC2	781053684	JIRCUBNLFIMJPH-OAQYLSRUSA-N	416.550	5.294	30	20	HKED	
COc1cccc(/C=N\C[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1O	790573062	BZEFAINIRSHTKX-VXHGTMSESA-N	414.855	5.099	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)cc2)cc1	792926437	QHNGKWMSHQYUGM-CXUHLZMHSA-N	403.453	5.003	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1	803243189	MGHWCDYJNLAESX-UHFFFAOYSA-N	416.908	5.002	30	20	HKED	
Cc1ccccc1-c1nnc(C)n1-c1ccc(Oc2nc(Cl)c(C#N)s2)cc1	804561192	WXPDWCIKWPYMAB-UHFFFAOYSA-N	407.886	5.325	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](CCCC#N)c1ccccc1	814597853	HIHJQPAHSXGCDW-SFHVURJKSA-N	400.320	5.623	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(SC(F)(F)F)c1	863996096	PBPWHSPNVYGQLG-AWEZNQCLSA-N	421.488	5.304	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3sccc3Br)no2)c1C#N	904893785	VPFSVBDDPWZFDG-UHFFFAOYSA-N	419.329	5.094	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)cc1	915353883	RECCRJXLFQWJHJ-UNMCSNQZSA-N	417.509	5.840	30	20	HKED	
CC(C)[C@@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1Cl	915384762	LMNLWSXABOQTAP-JRMCHAMMSA-N	417.292	5.085	30	20	HKED	
FC(F)(F)c1ccc(CNN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1	915972819	VXKGMFPNZAWDCU-UHFFFAOYSA-N	421.426	5.077	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc(C#N)c2)cc1	916097143	ZMMIJPARGSHWBD-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1ccccc1Cl	916906104	REAPRCQOQJMZMU-RHSMWYFYSA-N	414.958	5.293	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccc(F)cc2)o1	916944865	OSXVDXFLGVTXNE-MRXNPFEDSA-N	417.223	5.354	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1	1789452936	GJHFAEALNNGDBH-TWLJRWAQSA-N	404.510	5.195	30	20	HKED	
CCCCSc1nnc(SCc2c(C#N)c(C)nn2-c2ccccc2)s1	24145672	OXEFRRDSUKLZGW-UHFFFAOYSA-N	401.586	5.088	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	54507125	OKFZFCYABAKLQM-UHFFFAOYSA-N	418.884	5.128	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1	54538072	KFRFKESSKIOMFO-SFHVURJKSA-N	406.511	5.324	30	20	HKED	
C=C(C)COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OC	60791247	STPCJVOPAOROPV-QHCPKHFHSA-N	404.466	5.010	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1	105555135	RQTTWIALZAIQFF-UHFFFAOYSA-N	424.526	5.025	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2c2ccc(OCC)cc2)cc1OC	210926053	PVSSUHGHLQQEGL-BQEXRTDESA-N	407.510	5.036	30	20	HKED	
Cc1cc(CNc2cccc(OCCCC#N)c2)cc(C)c1OCc1ccccn1	237645588	XMNMCPOOBJVUPE-UHFFFAOYSA-N	401.510	5.572	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1	303357998	PGGKTJVSABIENH-CYBMUJFWSA-N	418.444	5.762	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc1	303527368	RBFLSDIAIBIFND-WOJBJXKFSA-N	402.416	5.154	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1	303752956	MHKLJNYBKHRHCM-INIZCTEOSA-N	404.432	5.545	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CSCc3cccnc3)cc2Cl)cc1	410081539	IRQPACWFMLCDNW-UHFFFAOYSA-N	409.898	5.271	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](OCCCc2ccccc2)C1	431180522	PVAYJVQEWHHEFX-FPOVZHCZSA-N	423.582	5.194	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CNc2ccc(Cl)c(C#N)c2)cs1	432411699	ADWYEAFCRCRCNY-UHFFFAOYSA-N	400.866	5.104	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	433012555	LBCVZYVTXNFYCX-KRWDZBQOSA-N	410.732	5.610	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c2cnn(C(C)C)c2n1	434025824	QBBWRCOAWNAHBS-QFIPXVFZSA-N	415.541	5.142	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c(Cl)c1	435270176	RFXBDTNMLUGQDH-UHFFFAOYSA-N	422.655	5.338	30	20	HKED	
COc1cc(C#N)cc(Br)c1OCc1nc(-c2ccccc2)cs1	435792974	YEFYHCSFZGSKCC-UHFFFAOYSA-N	401.285	5.032	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1c(F)cc(Br)cc1F	438638638	YPRYPRQLIJIMJE-WMLDXEAASA-N	420.257	5.031	30	20	HKED	
C=CCn1c(SCc2csc(CCc3ccccc3)n2)nnc1-c1cccnc1	440207055	KVUWKPGMORXZSL-UHFFFAOYSA-N	419.579	5.060	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1ccc2[nH]ccc2c1	440973698	HXTIUHRLPNYCMM-UHFFFAOYSA-N	424.504	5.291	30	20	HKED	
N#CC1CCC(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CC1	441139543	ICUJCOWHFTVXMK-UHFFFAOYSA-N	403.501	5.353	30	20	HKED	
C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(Br)s1	444291504	LQVMAUKTYXWADU-ZDUSSCGKSA-N	416.344	5.260	30	20	HKED	
N#Cc1ccc(CN(Cc2ccc(C(F)F)cc2)c2ccc3nc(O)[nH]c3c2)cc1	461374794	LBTXSGNJRVOMNA-UHFFFAOYSA-N	404.420	5.285	30	20	HKED	
N#Cc1ccc(NCc2ncc(-c3ccccc3Br)o2)cc1C(F)(F)F	462175466	JWTWRACVLXRCBB-UHFFFAOYSA-N	422.204	5.607	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	463750326	LMWKYZCWMAFJDZ-AWEZNQCLSA-N	410.930	5.338	30	20	HKED	
CN(CCOCc1ccccc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	465057537	JGOSGKHZDHSYTL-UHFFFAOYSA-N	416.546	5.139	30	20	HKED	
CC(C)(C)C1CCC(C#N)(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1	470205084	XYUXQIYLVHDQLC-UHFFFAOYSA-N	415.484	5.167	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	470252420	QECLNTAXQVIRQS-RPBOFIJWSA-N	412.489	5.309	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccnc2-c2ccc(Cl)s2)c1	474525958	XPQGHSZSDTZXCB-UHFFFAOYSA-N	411.914	5.523	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cn1	474873456	REZMMYQSAHSEBE-IBGZPJMESA-N	401.466	5.217	30	20	HKED	
COC1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCC(C)CC1	474998263	LNUZRROBDNQZHO-UHFFFAOYSA-N	421.541	5.048	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)cc1Cl	475342907	MLGFKUCBQGVNRG-RTWAWAEBSA-N	400.865	5.304	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ncoc3-c3ccccc3)c2)cc1	478673395	QJVJUZAOJYXEIQ-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Br	478736645	JURAFOVUOJKLSH-UHFFFAOYSA-N	424.682	5.231	30	20	HKED	
CCSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	481007711	HFFLDPNCVPXXKP-CQSZACIVSA-N	400.475	5.690	30	20	HKED	
N#Cc1ccc(SCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)cc1	482517433	BGUAVUFNHIILJU-UHFFFAOYSA-N	406.551	5.241	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)n1	482957149	KJBXLDXZUYXKLQ-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)[C@H](C#N)c2nccc3ccccc23)c1	483194672	ITGOBRXMFRLRMI-LJQANCHMSA-N	409.283	5.275	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)Nc1ccccc1CCC(F)(F)F	491371955	FWFSWNGRFTUJCQ-UHFFFAOYSA-N	410.289	5.705	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cnccc2Oc2ccccc2)c1	499623076	URQXNZDZWIXVPX-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1	499805901	XIIBLIDOFWBQNW-SFHVURJKSA-N	419.308	5.126	30	20	HKED	
COc1ccc(Oc2cc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)ccn2)cc1	500142333	WBGIGVNVEPYMMG-UHFFFAOYSA-N	416.481	5.005	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCOC)Cc1ccc(Br)s1	505030445	WBHCWENXRSXSNK-UHFFFAOYSA-N	423.376	5.310	30	20	HKED	
O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccccc1CCC(F)(F)F	505446600	VFUNMFVNQLAYMC-HNNXBMFYSA-N	411.292	5.493	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCc3c(Cl)cccc32)cc1	509105835	BOPPIFCOBRWEAK-JOCHJYFZSA-N	418.949	5.921	30	20	HKED	
Cc1sc2nc(CSc3nc(-c4ccccc4)ccc3C#N)nc(N)c2c1C	510184784	JLBUTQUQZLZVNO-UHFFFAOYSA-N	403.536	5.116	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1	512718826	UDKRJURMCXXGRR-LJQANCHMSA-N	411.292	5.232	30	20	HKED	
Cc1ccc(-n2c(Sc3ncc(C#N)cc3Cl)nnc2-c2ccccn2)c(C)c1	513621813	YURBMSPXDUOOKV-UHFFFAOYSA-N	418.913	5.017	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	513740293	SSKDEDAUPXBGGN-NTKDMRAZSA-N	406.526	5.226	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc2ccccc12	518169710	SUWSERXDDWELTO-WZONZLPQSA-N	415.562	6.461	30	20	HKED	
CCN(CCc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	521840648	FEPUZVIKWBXLQN-UHFFFAOYSA-N	405.523	5.817	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H](C)S1	525221630	IGJLYHDONQXPMD-OKILXGFUSA-N	401.919	5.362	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccccc1F	525431589	QNOXDYSGLIOUAL-OAHLLOKOSA-N	406.486	5.779	30	20	HKED	
COC[C@@H](C)n1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	527082191	RPZYDHAIOHEBNR-DNVCBOLYSA-N	423.904	5.043	30	20	HKED	
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2Cl)n1	538633359	ABLQUTUFZWPZGW-DLBZAZTESA-N	421.932	5.398	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)cc1	539633226	QQCJVWILFJTFKJ-MRXNPFEDSA-N	416.481	5.087	30	20	HKED	
COc1cc([C@H](C)NCc2ccccc2C(C)(C)C#N)ccc1OCc1ccncc1	540351436	NHPRUPGRIJQZLX-IBGZPJMESA-N	415.537	5.321	30	20	HKED	
N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)n2)c1	540602988	PJXCZEQTBIYBND-UHFFFAOYSA-N	421.485	5.273	30	20	HKED	
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	542178765	GOPQDSVTXUNLHJ-HNNXBMFYSA-N	422.275	5.231	30	20	HKED	
COc1cc(C[S@@](=O)Cc2ccc(F)cc2C)ccc1OCc1cccc(C#N)c1	547809987	YXQYQDOBSITDAW-SSEXGKCCSA-N	423.509	5.042	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1C(F)(F)F	548957152	LSQNHHBPWHRMLR-CQSZACIVSA-N	405.342	5.163	30	20	HKED	
Cc1c(C(=O)Nc2nccn2Cc2ccccc2Cl)sc2ccc(C#N)cc12	550813938	XDRMFTVSBDZTEH-UHFFFAOYSA-N	406.898	5.232	30	20	HKED	
N#CCCC[C@@H](N[C@H]1CCc2c(Cl)cc(Br)cc21)c1ccccc1	550827937	STLPRCCZBQMTTH-UXHICEINSA-N	403.751	6.115	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2F)C1	551592359	FFBVLJNPIUFJSQ-SJORKVTESA-N	412.534	5.010	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1	554704513	FQEPDNROYUTXFR-UHFFFAOYSA-N	424.287	5.394	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(OC)cc1	558448201	RWCFHJLCDUXOFR-LAUBAEHRSA-N	422.504	5.093	30	20	HKED	
C[C@@H]1CC(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@@H](C)O1	558974247	ZTYLCJYYKONKAP-RTBURBONSA-N	423.532	5.003	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(CC#N)ccn1	562388983	TZEZCIJJXVJIFL-UHFFFAOYSA-N	415.280	5.485	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1cccc(C)c1	574866627	VWBRTAMPDHHHNB-QGZVFWFLSA-N	417.538	5.267	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1cccc(F)c1	578750590	QFBCODLNMPDMGK-WAIKUNEKSA-N	416.456	5.500	30	20	HKED	
Cc1csc(NC(=O)c2oc3ccccc3c2CSc2cccs2)c1C#N	584137730	BGQKCGGRYNQWNW-UHFFFAOYSA-N	410.545	6.281	30	20	HKED	
Cc1nc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)sc1SCC#N	603775878	SWJOBTXRUULACV-UHFFFAOYSA-N	422.894	5.075	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	604461933	WVXIIOGCMGTYCS-MRXNPFEDSA-N	417.465	5.250	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cs2)cc1	604533708	DVNTXRNHSHIGIZ-UHFFFAOYSA-N	419.550	5.520	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCOc3ccccc32)cc1Cl	609102243	QAJKHPNAHQJPHP-LEWJYISDSA-N	402.881	5.500	30	20	HKED	
N#CCc1ccc(NC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)cc1	609296966	OXPTWQBWAHUITI-OAQYLSRUSA-N	411.288	5.818	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1SCCC#N)O[C@@H](C)C2	609375933	NHEZLPVKAKHKMM-VDZJLULYSA-N	422.550	5.157	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	609985232	BRRWJWQTGIEKFP-UHFFFAOYSA-N	401.466	5.352	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1	610009219	WSUDEDNLYRJZPK-KXBFYZLASA-N	402.560	5.900	30	20	HKED	
C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610015895	UJSBRQBPAZLKGD-OAHLLOKOSA-N	402.429	5.036	30	20	HKED	
C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ncc(-c2ccccc2)o1	610067928	AOGWAXSWYFVPNB-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
CC1CCC(N(C(=O)c2cccc(CC#N)c2)c2cccc(N3CCCC3)c2)CC1	610109007	WHMFURYNYBGMSO-UHFFFAOYSA-N	401.554	5.578	30	20	HKED	
C[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)c(F)c1	610224428	QFPGRFQWJJLFPU-KUHUBIRLSA-N	410.851	6.016	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cn2)cc1	610880750	QAOGDIKWBQEELD-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)sc2nc(C(F)(F)F)ccc12	614381650	SUAAWISWSVHVMS-CQSZACIVSA-N	411.408	5.662	30	20	HKED	
O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCC1	618295329	LQAKMDVVJVHDHB-ZIAGYGMSSA-N	411.361	5.227	30	20	HKED	
O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)s1	643845001	GCQDPBANNLOOAP-UHFFFAOYSA-N	423.313	5.363	30	20	HKED	
Cc1cc(F)ccc1CN(C)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	683093590	NCJUSQUYJFVWKF-STQMWFEESA-N	414.365	5.185	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	683634008	QUOQGZBHZULTQY-UHFFFAOYSA-N	408.289	5.156	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)cc2F)[n+]2ccc(CC)cc2)c1	726572659	HSFQNPRKIDNJQQ-UHFFFAOYSA-O	421.492	5.119	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1F	726860027	WRJQHOHQSACIEO-JSGCOSHPSA-N	400.425	5.597	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1	726940504	MBIYOTZQHRDSJL-UHFFFAOYSA-N	415.541	5.241	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727223003	MZZXXFVCMNQGQG-VWLOTQADSA-N	408.505	5.656	30	20	HKED	
N#C[C@@H](COC(=O)c1csc(-c2ccccc2Cl)n1)Cc1ccc(F)cc1	727631453	GNNNATQLKWNHOD-AWEZNQCLSA-N	400.862	5.142	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1	728871506	UVBGMVSGIOPVEH-ZRDIBKRKSA-N	407.926	5.419	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3SC(F)(F)F)CC2)c1	729560034	SUDSOKFLOKPZTC-UHFFFAOYSA-N	421.444	5.245	30	20	HKED	
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	730528193	XOXZDSJALDQFQQ-VXKWHMMOSA-N	419.525	5.070	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccccc2SCCC#N)cc1	730981944	FESCJVBJBGJAQW-UHFFFAOYSA-N	411.527	5.221	30	20	HKED	
CCCCc1noc([C@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	732377770	UTURNFLQABEYOK-INIZCTEOSA-N	405.454	5.189	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)cc1	740434233	BPNQXWGJXQEYJX-QFIPXVFZSA-N	401.897	5.586	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1	745109887	GERMMIXUCROUFA-UHFFFAOYSA-N	405.479	5.024	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	752178984	USSPSZVWABFQOZ-CABCVRRESA-N	406.404	5.824	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	753396094	SCRVZTIXVKBULV-IFXJQAMLSA-N	410.926	5.842	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ncnc3ccccc23)n(C2CCCCC2)c1C	758035182	ZTZVVRVODRTXNE-UHFFFAOYSA-N	419.554	5.156	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cccc([C@H]4CCCOC4)c3)c2)s1	766444993	LHDCTOJOHYQOFM-NRFANRHFSA-N	402.519	5.111	30	20	HKED	
Cc1ccc(OCc2nc(CC(=O)OCc3ccccc3C(C)(C)C#N)cs2)cc1	767997263	QMXXOAUFAZFCKR-UHFFFAOYSA-N	420.534	5.118	30	20	HKED	
CCCN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	770118807	KIIKDNOLMFSOSE-FQEVSTJZSA-N	400.507	5.018	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](c3ccc4ccccc4c3)C2=O)cc1	771908259	XBCBYBGYRJDDOB-RPBOFIJWSA-N	417.468	5.293	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)ccc1OC	772986004	MNIZIYBUTNWUKH-LPHOPBHVSA-N	407.539	5.350	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)Cc4ccccc4CC#N)cc3C2)cc1	776986852	OBAKAXMVDJWULN-UHFFFAOYSA-N	409.533	5.577	30	20	HKED	
O[C@H](Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)c1cccc(F)c1	777718061	KJVCMNMZOKMIQM-CQSZACIVSA-N	420.284	5.189	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	780163549	IAAQMVVONTYFOS-IVZQSRNASA-N	424.859	5.529	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2cc(Cl)c(OC)cc2Cl)c2ncc[nH]2)c1	787168406	HZXDIGREWXUFBY-OQLLNIDSSA-N	403.265	5.157	30	20	HKED	
C#CCn1ccc(CN(CC)[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1	789331695	FZAUECYYJBQOON-AWEZNQCLSA-N	403.313	5.061	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C[C@@H]1C2(Cl)Cl	791247913	IRUFMDFNRVQUGQ-AZUAARDMSA-N	401.293	5.006	30	20	HKED	
O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)c1ccnc(O)c1	791434181	VYCYOITVDYTJJB-SOFGYWHQSA-N	410.267	5.025	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/C(=O)c3cccc(Br)c3[C@@H]2C)cn1	792882823	AZWGTTZKEBNGOE-VGSSETLESA-N	421.294	5.298	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1ccccc1Oc1ccccc1	795140104	RGQWRROAQQJZFP-UHFFFAOYSA-N	420.582	6.031	30	20	HKED	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)cc1Cl	795936515	URGLACAHKRBYAX-OAHLLOKOSA-N	416.930	5.147	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCNC2=O)cc1)=C\c1ccccc1C(F)(F)F	799892788	PJKLSPXXSPQPFW-DBLDUACQSA-N	400.400	5.077	30	20	HKED	
CCSCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1	807971336	RKVQFBOSYSUGRZ-UHFFFAOYSA-N	417.460	5.127	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	810957707	KQOYTWIPDCWJGL-MAUKXSAKSA-N	402.535	5.354	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc3ccc(Br)cc3o2)cc1	812248193	GMLCXQUQHFZLKI-SHLUWWQESA-N	403.663	5.618	30	20	HKED	
COc1ccc([C@@H](O)C2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc34)CC2)cc1	812481480	ZZNFXWGGMLHFJZ-XMMPIXPASA-N	421.928	5.027	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1cc(C(F)(F)F)ccn1	813216471	SLMZYMHYWIDDOA-CQSZACIVSA-N	403.429	5.299	30	20	HKED	
CCN(CC)c1ccc2nc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)sc2c1	813853323	DZFUEHXLGOZFQK-UHFFFAOYSA-N	419.337	5.573	30	20	HKED	
COc1cccc(C=NOCc2cn(-c3ccccc3)nc2-c2ccccc2)c1OC	824206464	VCQBHTADGUNFOG-UHFFFAOYSA-N	413.477	5.107	30	20	HKED	
CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	857436154	RQXGNLPPMPDWTK-OAHLLOKOSA-N	409.301	5.273	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2ccc([C@H](O)C(F)(F)F)cc2)c1	864044077	RPAYMPFYEWQPPA-QFIPXVFZSA-N	412.411	5.345	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccs4)n3)n2)cc1	915099997	JSHGZYCJEXZBLN-MRXNPFEDSA-N	421.572	5.723	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nc(-c2ccccc2)cs1	915102244	QHKGXOUMKXETCS-HXUWFJFHSA-N	400.503	5.138	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3cccs3)nc2C)cc1	916954099	FTZMQAXYELWSFP-DYVFJYSZSA-N	423.563	5.655	30	20	HKED	
CCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917025149	FIXKRMNBKVMFKZ-FQEVSTJZSA-N	402.519	5.602	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@@H]2C)cs1	917559326	ICDRJZVMYBGTON-OMJMQIJPSA-N	422.481	5.364	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1	918127882	PIDWTZIMVIMJNB-IBGZPJMESA-N	403.844	5.868	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1OC	918606429	AMCKYMWBFAGMJW-JNSUZQQQSA-N	416.521	5.161	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)cc1	920061833	JUADISGURXDDNW-UHFFFAOYSA-N	408.457	5.558	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	920101595	FXQAFLBOCCLEOF-KRWDZBQOSA-N	417.465	5.253	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CCC1(C)CC1	1510255492	HFVMNWZGYCFAKA-HZPDHXFCSA-N	401.942	5.000	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(Cl)c2)cc1	10830299	YTEHEWOCZQGAFG-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1C1CC1	20969852	BXUGJZDCCNSCHH-UHFFFAOYSA-N	417.749	5.033	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(Cl)c2)cc1	22730612	JGJNZNMHSYLUJN-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	63394220	ZNHKURCFFKNWBR-UHFFFAOYSA-N	408.461	5.442	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cnn(Cc3ccccc3)c2)cc1	64301047	FJLBRKKMIWFFNP-UHFFFAOYSA-N	424.529	5.348	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C	64456750	KHOFKPYHTISSBW-UHFFFAOYSA-N	422.488	5.289	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1	65869927	XXXYPYOTQHAFOJ-UHFFFAOYSA-N	402.494	5.045	30	20	HKED	
CCOc1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	108863851	FOOWVNNVNYOOBR-UHFFFAOYSA-N	416.496	5.258	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1	109329467	UKXBRACEJWDXPJ-UHFFFAOYSA-N	416.496	5.257	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)OCCO2	209993664	QSUVCDVNFSULQB-NTMALXAHSA-N	419.864	5.260	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1OC	210973866	DIVKOSYIVRLDIW-QXFGJRORSA-N	420.534	5.247	30	20	HKED	
COc1cccc([C@H](CNc2ccc(C)c(C#N)n2)c2c[nH]c3ccccc23)c1OC	302718447	OACHBBHMAVBBBU-FQEVSTJZSA-N	412.493	5.004	30	20	HKED	
CCn1cc(CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c2ccccc21	303244891	LKAMLWDHTJVRTQ-RUZDIDTESA-N	423.516	5.164	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C	303297242	CBBQKNGNBKRJFY-AOMKIAJQSA-N	413.562	5.393	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)n1Cc1ccccn1	303394933	YTZPVGNEIFHMAT-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	303429922	FMJXQCMNYBRCKX-IAGOWNOFSA-N	405.281	5.220	30	20	HKED	
CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@H](C)c1ccc(C#N)cc1	303812232	CUDNUWVJGJYZIL-NIKGAXFTSA-N	402.416	5.170	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1	431586499	RRMNMLJXVKOFMK-GOSISDBHSA-N	402.267	5.023	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)CCSc1ccnc2cc(Cl)ccc12	433420742	MCNBLBVNSKNKKC-UHFFFAOYSA-N	411.914	5.279	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cc(F)ccc1Br	433777092	ZSCLYDIJOPSICV-GFCCVEGCSA-N	407.308	5.164	30	20	HKED	
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437496289	NDKUKIGKBYOLJU-INIZCTEOSA-N	418.424	5.098	30	20	HKED	
CC1CCC(N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	438070219	WMKKOAXYWVNLPX-NBDWZHNGSA-N	415.603	5.530	30	20	HKED	
C[C@H](Nc1cccc(OCc2cccc(F)c2)c1)C(=O)N(CCC#N)c1ccccc1	439567141	VZKXBYMYXBTYFH-IBGZPJMESA-N	417.484	5.152	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1	441529743	AVWIDUATFKUSKI-IBGZPJMESA-N	412.496	5.702	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc12	443857628	OVAKHYWWELLKGY-UHFFFAOYSA-N	406.536	5.611	30	20	HKED	
N#Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1C(F)(F)F	443881240	PSNXRYRSDFMNDH-UHFFFAOYSA-N	409.205	5.010	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C	446875013	YMRHYEVWYGLCAA-FQEVSTJZSA-N	401.432	5.258	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1	460567449	OMSQVYDRTDRBPA-VXNXHJTFSA-N	414.553	5.441	30	20	HKED	
C[C@H](C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl)c1cccc(C#N)c1	464529419	PNRMRWNPABIBQS-ZDUSSCGKSA-N	412.276	5.795	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c(C)cccc2OC(F)F)cc1	464926945	QHLLPIALNVNSNF-UHFFFAOYSA-N	408.404	5.821	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	464943515	ZSYDHOBKQIONNX-SFTDATJTSA-N	419.525	5.093	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1	464971520	HXQZJPVYZKCLKL-RDGATRHJSA-N	412.489	5.167	30	20	HKED	
C=CCn1c(SCCCSCC#N)nc2cc(-c3ccccc3)sc2c1=O	466611219	SYOJFQBPASGPGA-UHFFFAOYSA-N	413.593	5.050	30	20	HKED	
CCOc1c(Cl)cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1Cl	467764388	PIGSFBLDPKPFHY-UHFFFAOYSA-N	416.308	5.585	30	20	HKED	
CC(C)CO[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	469511622	FDAALMQVTBNHRB-PZJWPPBQSA-N	411.933	5.274	30	20	HKED	
Cc1cnc(C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)s1	470072895	QQXGSKXTADKKRT-UHFFFAOYSA-N	403.507	5.135	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccccc1-n1cccn1	470597750	CDDUBAQDSKCZKR-DLBZAZTESA-N	405.527	5.149	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1	471734229	DDHMOXBWDTUSEH-UHFFFAOYSA-N	405.473	5.301	30	20	HKED	
COc1cccc(C=C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	473824219	OFUHGLIVMHXESU-GOSISDBHSA-N	421.566	5.801	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ncccc1Br	475185492	PIQUKJYIQUHWDH-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1	475253059	LKNKLZNFZZJUFB-PZJWPPBQSA-N	403.526	5.036	30	20	HKED	
COCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)o1	477486855	UZGRFFYCKLCNHW-QFIPXVFZSA-N	419.481	5.460	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1	477534831	ABUKKPUECCUSSA-ROUUACIJSA-N	411.546	6.022	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cs1	479282317	ILLUSQLMMYGYML-OAQYLSRUSA-N	403.507	5.401	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(F)c(F)c1	479951668	BMIBNLAYPIRFKX-NRFANRHFSA-N	413.468	5.030	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481680845	ASXAUASGTAGTJR-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	481902530	UILOZCHCYPFMOV-MRXNPFEDSA-N	413.502	5.793	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1	483447169	JCERFMFFFRRYPT-FQEVSTJZSA-N	415.497	5.297	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(C4CCCCC4)n3)n2)cc1	483473276	LDRHJGBQOLZHSZ-GOSISDBHSA-N	406.511	5.010	30	20	HKED	
N#CCCN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2	486563116	GJIFCLHBGSHBCO-ODWSQRDSSA-N	414.496	5.103	30	20	HKED	
C[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1	487604277	OZCLMJQFGMNKJA-CJFMBICVSA-N	410.517	5.572	30	20	HKED	
O=[S@](Cc1cc(F)c(C(F)(F)F)cc1F)Cc1ccccc1C(F)(F)F	488742490	STBHFVJCJCVXFF-SANMLTNESA-N	402.306	5.451	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1cccs1	489426086	LFRZIJLLOUKIQR-LBPRGKRZSA-N	417.510	5.791	30	20	HKED	
C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1	491285771	UJBZJAYASNTXKW-UHFFFAOYSA-N	409.555	5.268	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccco1	494051607	VPMVUGOVSIUXSL-OPAMFIHVSA-N	421.522	5.451	30	20	HKED	
CN(Cc1cccc2[nH]ccc12)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494544991	FGBSLRGMVBLELL-UHFFFAOYSA-N	424.504	5.477	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	494635222	IZQWJLOOXVGAAG-CABZTGNLSA-N	422.316	5.312	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	497512205	OIPVIJZMLCSNOZ-IBGZPJMESA-N	420.900	5.321	30	20	HKED	
Cc1cccc([C@@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccccn2)c1	498361340	AFWJGRLPHBZVKM-MUUNZHRXSA-N	419.528	5.720	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1ccc(Br)cc1	499439683	WRLWSIWVRUCONO-HBMCJLEFSA-N	405.295	5.087	30	20	HKED	
CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1C	499582895	FGRPDJUXPOPCPK-UHFFFAOYSA-N	400.478	5.405	30	20	HKED	
N#CC1(CCCN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCOCC1	499702992	GGDDPQNMLUIRMO-INIZCTEOSA-N	408.386	5.389	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	499857167	AIDOQDLFMVVNIM-LBPRGKRZSA-N	408.335	5.482	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2OCCC)cc1	502238037	WTFWLPDNBLWWIN-UHFFFAOYSA-N	402.882	5.080	30	20	HKED	
COCc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)sc2cccc(F)c12	502459163	CWUAETHAYKILFJ-UHFFFAOYSA-N	423.494	5.434	30	20	HKED	
O=C(c1ccc(CCC(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	503490015	UNOCYJSGDVSDBC-UHFFFAOYSA-N	407.276	5.138	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)c1c[nH]c2ncccc12	504387405	JCDIJVSSQMYWCY-LBPRGKRZSA-N	418.444	5.271	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)cs1	505232116	VLCWLAZMXIRZGD-AWEZNQCLSA-N	407.514	5.284	30	20	HKED	
C[C@H](SCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)c1nc2ccccc2[nH]1	505355409	IAYVWDFSBQGGEO-ZBEGNZNMSA-N	419.337	5.045	30	20	HKED	
Cc1ccccc1NC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	505772702	UWGBQIVNOCLJAN-AWEZNQCLSA-N	402.306	5.671	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCCOc1cc(Cl)ccc1Cl	507186989	BCFUWGXZDLUGKF-UHFFFAOYSA-N	415.729	5.269	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2c1	507693585	LFNAPYWREPNXEB-OAHLLOKOSA-N	417.534	5.767	30	20	HKED	
CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	508242401	LZSQSPGLXZWWJJ-UHFFFAOYSA-N	419.456	5.552	30	20	HKED	
Cn1c(SC[C@@H](C#N)CCC#N)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	508484770	BGAHWJRNVGELJW-GDBMZVCRSA-N	413.616	5.230	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2	509224471	MWXFLVJHXUKMFD-CCEZHUSRSA-N	419.887	5.500	30	20	HKED	
Cc1ccc(NC(=O)[C@H](Sc2ccc(C#N)cc2)c2ccccc2)c([N+](=O)[O-])c1	509648773	BDFATWGFBCDAGB-OAQYLSRUSA-N	403.463	5.247	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	509922226	AVXFQLJDXGOZKS-FPOVZHCZSA-N	415.459	5.301	30	20	HKED	
Cc1ccsc1CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510023663	ODHOBINRTLKCFB-LJQANCHMSA-N	409.942	6.029	30	20	HKED	
N#Cc1cccc(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1	510302894	HHCUWRDVEBMRRR-UHFFFAOYSA-N	424.382	5.473	30	20	HKED	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cc2ccccc2s1	510663871	GWGGHFQUDOQHIQ-HNNXBMFYSA-N	407.514	5.006	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1ccsc1)N(C)C	510746481	FZDAIHFYXGFFCL-QFIPXVFZSA-N	420.538	5.145	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](c3cccs3)C3CC3)c2)c1	511465858	YGKHTBFJSILYNS-OAQYLSRUSA-N	416.506	5.145	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc(C)cs2)c(C)c1	513676523	GLAQMFQHNPXTIJ-HXUWFJFHSA-N	412.518	5.411	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1	515619922	ZUGJWVUPWDVKCA-UHFFFAOYSA-N	412.449	5.067	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	515716207	FRKKZECDXCECDD-SJLPKXTDSA-N	416.456	5.295	30	20	HKED	
Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1	517518181	XZVGKYCTYCYRAF-MRXNPFEDSA-N	410.568	5.126	30	20	HKED	
CN(C(=O)Cc1c(F)cccc1C#N)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	518828616	NTLZFEQECQKFAC-KRWDZBQOSA-N	418.312	5.021	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1	520855654	WQPCJNIAIKQYAF-DNVCBOLYSA-N	415.946	5.197	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	521289323	FEDMVPKVZBRASJ-KRWDZBQOSA-N	407.480	5.266	30	20	HKED	
COc1ccc(CCN(CC(C)C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC	522465139	IHCYTAVVHQVMOR-UHFFFAOYSA-N	423.557	5.238	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1	523955917	PWEOZGHVLGNDAR-IBGZPJMESA-N	406.873	5.094	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CSc2ccccc21	524560220	ZIIVPIXYSRRDTA-NRFANRHFSA-N	401.491	5.628	30	20	HKED	
Cc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C	532483740	UDZKLLBOVNZAKD-UGKGYDQZSA-N	407.583	5.473	30	20	HKED	
Cc1cnc(CCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	533170745	TXQOKZOELVUGJR-UHFFFAOYSA-N	406.511	5.130	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	533425714	YDGYUYGUUPJCMY-AZUAARDMSA-N	411.571	5.538	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	533765946	HAZCBTPKFVOJTJ-GDBMZVCRSA-N	416.616	6.052	30	20	HKED	
C=CCCC(=O)CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1	534244522	SOVLCXPFLDKQFN-UHFFFAOYSA-N	413.930	5.127	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1c(F)cccc1Cl	537174432	LYMPSEDNIOUOIV-KBPBESRZSA-N	405.926	5.020	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1	538626546	WNZAGYZMCPNNPM-UHFFFAOYSA-N	411.465	5.206	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCCc2cccs2)cc1	538785398	PUYBSCVJZWHKSB-UHFFFAOYSA-N	405.523	5.147	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1	539716616	IQCALIMHMKXQJY-KNQAVFIVSA-N	407.514	5.374	30	20	HKED	
FC(F)(F)c1cccc([C@@H](NCc2nc(C(F)(F)F)cs2)C(F)(F)F)c1	540522295	SZCWPSWDXYJKRX-LLVKDONJSA-N	408.289	5.574	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	541638045	FXFHGXJPZNFETQ-FXAWDEMLSA-N	423.406	5.059	30	20	HKED	
N#CCC1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1	541920890	QTHWCPBJGQSUTP-UHFFFAOYSA-N	402.325	5.371	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)CC1	541969596	IQHABKFOARPRCP-UHFFFAOYSA-N	413.909	5.205	30	20	HKED	
CC(C)OC(=O)Cc1nc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	542942117	MIALNZXEDPPOMB-KRWDZBQOSA-N	419.550	5.027	30	20	HKED	
CCOc1cc(Br)c(NC(=O)c2ccc(Cl)c(C#N)c2)cc1OCC	543468537	KKDGZGJDFKYSTO-UHFFFAOYSA-N	423.694	5.024	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543943076	CROSSQCCNQRIJS-INIZCTEOSA-N	404.539	5.286	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)sc2ccc(C#N)cc12	551621408	CAQHZIBIWOQGJI-UHFFFAOYSA-N	406.507	5.218	30	20	HKED	
COc1cccc(-c2nc(Cn3cc(C#N)c(=O)c4cc(C)cc(Cl)c43)cs2)c1	554871467	VHQFOTVNJHPITI-UHFFFAOYSA-N	421.909	5.015	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)c1ccc(Cl)cc1	558176739	QHNZGFRNSMFDIO-LSDHHAIUSA-N	400.931	5.582	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccccc1	567066657	WYHXTHLHWAYHIE-OAQYLSRUSA-N	412.961	5.440	30	20	HKED	
C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@@H](OC1CCOCC1)c1ccccc1	569163405	FEKWEPCHXKFYEU-YCRPNKLZSA-N	404.432	5.314	30	20	HKED	
N#CC[C@H](CC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccccc1	569401694	BNSVEHHCKSTYIA-QGZVFWFLSA-N	421.953	5.436	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nc(Sc2ccccc2)ns1	577836641	IJHWZRYICZTCRJ-UHFFFAOYSA-N	409.540	5.003	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](CC(F)(F)F)C1	579499212	GEVKRVJBUURFHA-MRXNPFEDSA-N	410.509	5.234	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	580169263	LIGHICWLOYMVPN-CYBMUJFWSA-N	409.305	5.363	30	20	HKED	
CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	583293120	UFJXWALZVPKRHW-OAQYLSRUSA-N	400.482	5.231	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C2CC2)nc2onc(CCC)c12	583582167	WVSIJKARDYFLDZ-UHFFFAOYSA-N	421.545	5.049	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)cc4cccnc34)cn2)c1	603960168	CRGVEKPILYHXBC-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	604536329	MIHRQEVHXFIXJH-AWEZNQCLSA-N	402.325	5.277	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)nc2ccccc21	607433272	ODOOCCWYFUCTDM-HXUWFJFHSA-N	424.504	5.548	30	20	HKED	
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	607892550	VYDYRUOLKWRXHO-VXGBXAGGSA-N	408.317	5.024	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	609297308	FLBUVLRIHMKFHO-JOCHJYFZSA-N	408.473	5.328	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(C(C)(C)C)cs1	609303892	HUGOAIRIAFBAQJ-HNNXBMFYSA-N	421.591	5.954	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)cc1Cl	609384891	PVYZABPRWKRWIB-AWEZNQCLSA-N	422.381	5.458	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1	609398728	MQCQNUSFYHSALQ-LSDHHAIUSA-N	421.488	6.182	30	20	HKED	
COc1cc(C[S@@](=O)[C@H](C)c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1	609742952	DRZZFFYNNWSINM-BJLXPSRBSA-N	423.509	5.295	30	20	HKED	
CC(C)(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc([N+](=O)[O-])cc1	610044769	RDWHYQJMCHJORH-UHFFFAOYSA-N	401.422	5.175	30	20	HKED	
COc1ccccc1-c1nnc(SCCC(C)(C)C#N)n1CCc1ccccc1	610165788	RUXAHPIBWHYRQV-UHFFFAOYSA-N	406.555	5.228	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1)c1ccccc1	613290564	GIPNRLKPFXXDNA-KSSFIOAISA-N	411.383	5.125	30	20	HKED	
C[C@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)c1cccc(C#N)c1	616044550	YHGFXBBCZQXQMK-HNNXBMFYSA-N	412.331	5.004	30	20	HKED	
COc1ccc(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1Cl	726899348	PCOARLLVHJCPSC-UHFFFAOYSA-N	423.925	5.608	30	20	HKED	
N#CCOc1ccc(CNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)cc1	730218520	NJRGVLONXDIOAU-JOCHJYFZSA-N	424.472	5.017	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCCOc2cccc(Cl)c2Cl)c1	733770830	KOWZSWQHTBSTMT-MRXNPFEDSA-N	421.324	5.150	30	20	HKED	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	734081552	MVLJGNZVDBQGPW-BEFAXECRSA-N	405.523	5.146	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	735320218	NCENZXIZNHETIW-ZDUSSCGKSA-N	409.338	5.465	30	20	HKED	
COC(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	735507615	MIERMCKSQZZMNG-JOCHJYFZSA-N	406.869	5.117	30	20	HKED	
CCO[C@@H](C)c1nc(CON=C(C)c2ccc(-c3ccc(F)cc3)s2)cs1	736609098	UMDBGZKRRRLFHP-AWEZNQCLSA-N	404.532	6.049	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N	739306875	VXVGFMWLHQQOTE-HUUCEWRRSA-N	410.470	5.201	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1	742653257	HKVUIYHTKNIECI-ZQHYZAEZSA-N	404.457	6.142	30	20	HKED	
Cc1ccc(CCN(Cc2ccco2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1	743019665	GYRKBSAURFCNPD-UHFFFAOYSA-N	409.942	5.555	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(C)nn(-c3ccc(F)cc3)c2C)S1	744845180	LQFBMQZLIMPLGN-NDENLUEZSA-N	420.513	5.137	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@H](C#N)c3nc(C(C)C)cs3)c2)c1	747197555	HXAABCHJVBVJKI-NRFANRHFSA-N	404.535	5.573	30	20	HKED	
C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(SC3CCCCC3)cc2C)c1	748447203	HRNBVYVZLHBTMM-UHFFFAOYSA-N	421.566	5.161	30	20	HKED	
COc1ccc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)c(OC)c1OC	750917948	ZKYHDDFGJLEFOW-JLHYYAGUSA-N	406.450	5.240	30	20	HKED	
Cn1c(-c2ccccc2Cl)nn(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1=S	751932261	OANUVAKHMXPTOG-ICSRJNTNSA-N	423.973	5.001	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1nc(-c2cccc(Br)c2)c[nH]1	754712219	GQHJGZRXHOAXEP-UHFFFAOYSA-N	410.193	5.271	30	20	HKED	
FC(F)(F)c1cc(Br)ccc1NN=Cc1cnc([C@@H]2CCCO2)s1	755707643	WJDKAXRDQLZFDZ-ZDUSSCGKSA-N	420.254	5.222	30	20	HKED	
CC(C)(C)N1C/C(=C/c2nc(Cl)cs2)C(=O)/C(=C\c2nc(Cl)cs2)C1	759077118	QENFTTVIXCTLJP-GGXLTUIBSA-N	414.383	5.057	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1cnc(-c2ccccc2Cl)s1	774313983	WVHYMYBYSKVHCF-ZDUSSCGKSA-N	404.825	5.033	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cn1	780492695	VUHABAFHSMKDOB-MRXNPFEDSA-N	418.453	5.126	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1C=Nn1c(S)nnc1CSc1ccccc1	785462176	RRKOLYDXSVNGEU-UHFFFAOYSA-N	408.474	5.069	30	20	HKED	
C[C@]12CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C[C@@H]1C2(Cl)Cl	790732628	SOLHBFFGRXXYCA-HKUYNNGSSA-N	420.365	5.012	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1	793651754	ZBTUHQPWGNQIDZ-IBGZPJMESA-N	412.965	5.279	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc(CC(C)C)c2)cs1	794724313	PIAOHHZRHSLEPP-FMIVXFBMSA-N	422.525	6.061	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)Cc2ccccc2C(F)(F)F)ccc1OC	795802694	JUPPANHJFGDKFN-CRAIPNDOSA-N	406.448	5.116	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)Nc1sc2c(c1C#N)CCCCC2	796518332	XNBIIUMSDOAADK-UHFFFAOYSA-N	413.540	5.150	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(C(F)(F)F)cc1	798816417	KSJFXHXYAIDXLV-QMTHXVAHSA-N	408.832	5.948	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1csc(C)n1	804453400	XPCQIFMFWLFPEQ-LJQANCHMSA-N	406.576	5.108	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C	806452278	UXUSMPRQNHKJBO-LPHOPBHVSA-N	401.551	5.058	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C\C(=O)c2c(F)cccc2Cl)cc1	809159353	NSYBKBZXPSIDMH-TWGQIWQCSA-N	400.789	5.245	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccnc1Cl	810298653	OSKPTLBDONJGQZ-UHFFFAOYSA-N	408.864	5.289	30	20	HKED	
CCOc1ccc(OCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915086877	NLFMOJMGIRLEOZ-RUZDIDTESA-N	414.505	5.538	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	916900257	XFTCBLVWRYGRBM-FQEVSTJZSA-N	424.378	5.459	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCSc2ccc(OC)cc2)cc1	916955086	MJMDBTTZNKNBAP-HRAATJIYSA-N	410.539	5.038	30	20	HKED	
CN(CCC#N)c1ccc(CNC2CCN(c3ccc(C(C)(C)C)cc3)CC2)cc1	920181232	MZIAJYYQPPEHAW-UHFFFAOYSA-N	404.602	5.093	30	20	HKED	
Cc1ccc(-c2ccc(C=Nn3cnc4ccc(Br)cc4c3=O)s2)cc1	920478527	AJVGXYUBYPEFGH-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1	920806354	VOXJIUZUCRGSSD-SWLSCSKDSA-N	400.425	5.597	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CCCc3nc(O)ccc32)cc1	1624849221	NPXQZJBHHMJHPV-FQEVSTJZSA-N	416.506	5.009	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)c(C)c3)cc2)CCC1	1787007620	XVICCTFYUKQPEI-UHFFFAOYSA-N	417.553	5.215	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cccnc3)cc2)CCC1	1788279875	ZCMSLZGOKDHFRI-UHFFFAOYSA-N	419.569	5.141	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3OCC)CCC2)cc1	1791248962	HLGWTSCPYMRBMN-SFHVURJKSA-N	406.526	5.045	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cccs3)CCC2)cc1	1791728885	PYHIVYHYDUWWPJ-UHFFFAOYSA-N	408.567	5.008	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1	1824347953	BHQRTVSPYLGACR-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824671656	CMSOSPQLQNRBPT-NRFANRHFSA-N	414.615	5.058	30	20	HKED	
COc1cc(/C=C/c2cc(Cl)n3c(nc4ccccc43)c2C#N)ccc1OCC#N	7132924	ASYNCNYAMWSPQH-SOFGYWHQSA-N	414.852	5.094	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1	7632589	NNEFCDWEPIHTKZ-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
C=CCn1c(=O)c2ccccc2n2c(SC(c3ccccc3)c3ccccc3)nnc12	12427362	YMLAFRNCYGPSDW-UHFFFAOYSA-N	424.529	5.112	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)cc1	20834510	XSIMOMGUZLOHQY-UHFFFAOYSA-O	403.571	5.631	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1C1CC1	20981298	JGTUJZGZSGUXRC-INIZCTEOSA-N	404.539	5.128	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccccc2)cc1	22729390	XHSLLGZHBKGFKQ-UHFFFAOYSA-O	405.543	5.041	30	20	HKED	
CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@H](C)c1cc2ccccc2o1	60012205	VFZFEOCMFUDPFS-QGZVFWFLSA-N	406.482	5.082	30	20	HKED	
CCN(C(=O)c1sc(COc2ccc(F)cc2)nc1C)[C@@H](C)c1ccc(C#N)cc1	220107274	AIHOZIFRJPKAMN-INIZCTEOSA-N	423.513	5.265	30	20	HKED	
N#Cc1c(NC(=O)Cc2cccc(OC(F)F)c2)sc2c1-c1ccccc1CC2	409838623	JSKBLYZCHGUSIZ-UHFFFAOYSA-N	410.445	5.168	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	426295598	NZALVYYTZGPMDB-HXUWFJFHSA-N	419.525	5.424	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(F)c(O)c(Cl)c2)cc1	436969308	YWSWXLNCCNJHAH-UHFFFAOYSA-N	412.804	5.110	30	20	HKED	
CN(CCc1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437770776	GLPKSIUYLPAQJK-HXUWFJFHSA-N	409.942	5.763	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1Cl	439232916	XSEDZUMYUYSWHC-GMAHTHKFSA-N	423.944	5.418	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccccc1CN1CCc2ccccc21)c1ccccc1	439316870	RSGTYOGLNCIKFU-QHCPKHFHSA-N	410.521	5.416	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1	440290558	ISGRBVFAKWCKLU-UHFFFAOYSA-N	406.408	5.133	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1C(F)(F)F	443880389	OGIROHDCXSSCOQ-UHFFFAOYSA-N	405.763	5.067	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCCC1(C)C	444901178	KFWHWKTXSXOJDM-IBGZPJMESA-N	410.518	5.125	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1	460749829	BJGNBXQMYSKCIT-ULQDDVLXSA-N	424.125	5.240	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3)s2)nnc1-c1ccccc1F	463785415	WMBMXUNTQCPABY-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
C[C@H](C(=O)N(CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1	463875477	XQJWIRISWJYMBW-LBPRGKRZSA-N	411.221	5.020	30	20	HKED	
Cc1c(F)ccc2sc(NC(=O)c3occc3COc3cccc(C#N)c3)nc12	465272102	JJAJLCKJXUUGNY-UHFFFAOYSA-N	407.426	5.040	30	20	HKED	
Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	471952420	GXSZHGONEUVESB-UHFFFAOYSA-N	418.566	5.425	30	20	HKED	
Cc1sc(NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)c(C#N)c1C	472809103	FPHVCBOYRHVWIU-UHFFFAOYSA-N	406.536	5.257	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2c(F)cccc2F)CC1	473674760	IYWGSYSYXYGUIR-OAHLLOKOSA-N	413.493	5.680	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)cc3OC(C)C)n2)cc1	474967450	FMLAXTFIKOWZHY-IBGZPJMESA-N	422.506	5.105	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc(-n4ccnc4)cc3C)o2)cc1	475876601	YTKNRJJAKUBWDC-UHFFFAOYSA-N	404.495	5.088	30	20	HKED	
CC[C@H](C)n1nc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C	480600546	IZFKPRMXYGECGD-KRWDZBQOSA-N	417.513	5.566	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ncccn2)cc1C	480835758	CPTFZTPJMKFUML-UHFFFAOYSA-N	414.918	5.512	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1cccc(Cl)c1	483190984	DMWKLTLPMQGGHU-IBGZPJMESA-N	400.869	5.126	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)Oc1ccccc1Cl	483323930	JSAROTHOLPDISB-CABCVRRESA-N	403.935	5.323	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C(F)(F)F)c1	483436430	SWANQLISVJRNKF-NVXWUHKLSA-N	420.500	6.622	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(Oc4ccccc4)nc3)c2)cc1	483495929	OFJPJGXZYRQTQK-UHFFFAOYSA-N	421.456	5.468	30	20	HKED	
Cc1c(C(=O)N[C@@H](CCCC#N)c2ccccc2)oc2c(Br)cccc12	487427272	IQQXJKPFWBJKSX-SFHVURJKSA-N	411.299	5.669	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccncc1	489451465	YXGREVXEMUNSKH-MRXNPFEDSA-N	418.526	5.128	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1	499897384	UFKFPMSUXBHWQU-AOMKIAJQSA-N	420.513	5.384	30	20	HKED	
N#CC1(CCCOc2ccc(-c3nc4ccccc4s3)cc2Cl)CCOCC1	499913943	QZMKMCCVYRYDMM-UHFFFAOYSA-N	412.942	6.096	30	20	HKED	
Cc1ccccc1Oc1ccccc1CNCc1cn(CCC#N)nc1-c1ccccc1	500884108	AEUWJBXQJADOTK-UHFFFAOYSA-N	422.532	5.854	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cs2)cc1	507005312	HTAHPCUQESBRHU-INIZCTEOSA-N	403.463	5.230	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1CCc2ccccc2C1	510727368	PQYZNNJKDOYIPW-HXUWFJFHSA-N	400.453	5.119	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H](CCC#N)c1ccccc1	512044560	GCXPXCMAJSZJNA-KSSFIOAISA-N	423.866	5.711	30	20	HKED	
CC[C@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CSCC#N)sc2c1	512190892	CUHVDMFREJAVPT-INIZCTEOSA-N	409.580	5.600	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccncc1	513273804	ZXOXRIJVBLIKHG-CYBMUJFWSA-N	406.433	5.278	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	515756253	TYMOXRQHWQTRFH-QGZVFWFLSA-N	417.534	5.298	30	20	HKED	
CCOc1ccc(N(C(=O)c2cccc(CC#N)c2)c2nc3ccccc3s2)cc1	517303961	JBZUUYBBNQEDHV-UHFFFAOYSA-N	413.502	5.740	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1cc(F)ccc1F	517451791	VQDJCDYPAZPQTI-UONOGXRCSA-N	406.523	5.792	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)s1	518041237	NZPUDQWRKNLAEW-INIZCTEOSA-N	405.523	5.044	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2)cc1	520612169	IWBXDPOXODAAFX-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
C=CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc(OC)c1OC	520877593	MLCKBZMPNOQKQY-PKTZIBPZSA-N	401.506	5.005	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2cccs2)c2ccc(F)cc2)c1	521089718	WLQXOFVGDQEWDH-UHFFFAOYSA-N	408.498	5.541	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3sccc3OC(F)F)c2)cc1	521474949	JHQZJTUGBSLMIA-UHFFFAOYSA-N	414.433	5.247	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[nH]c(C)c1C(C)=O	521792399	NOIPRWSUKDGZCE-UHFFFAOYSA-N	401.466	5.395	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1c(Cl)cccc1Cl	521811261	ADPXBVFXINTPGR-CYBMUJFWSA-N	408.354	6.052	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	522529980	KWAPIPFRRQXNHA-WOJBJXKFSA-N	418.443	5.466	30	20	HKED	
CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	522705586	PUFTYPHABRZPCP-POAQFYNOSA-N	413.974	5.791	30	20	HKED	
CC(C)CN(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1	523114107	KWWODJMFGFCLDL-UHFFFAOYSA-N	412.415	5.066	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	524438213	VKJIWIDVVXCPOL-UHFFFAOYSA-N	415.493	5.166	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)COc2ccccc2C#N)nc1-c1ccccc1	524814205	GJLKDBRJOYTFDF-FQEVSTJZSA-N	415.493	5.079	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1	525392309	FQHCURVGCIUCCG-NRFANRHFSA-N	418.368	5.032	30	20	HKED	
N#C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1	530877108	CSICNDVGFMWBPT-AWEZNQCLSA-N	407.150	5.026	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	532229576	YNVRRQDOKVSIJQ-XMMPIXPASA-N	412.493	5.731	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	533076112	HJUNKNJQOXITCZ-IBGZPJMESA-N	404.432	5.410	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1Cl	534928782	TZWOKWWUGIQEQL-MRXNPFEDSA-N	412.836	5.370	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1-c1ccccn1	535096239	NDMALCMFVQEFTN-INIZCTEOSA-N	403.507	5.261	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)c1ccccc1	537223005	DSRITNFSTAJQSD-GCJKJVERSA-N	409.599	5.365	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1[C@H](C)C1CC1	537477101	ZOPPUVAEFIGWRD-TZMCWYRMSA-N	412.465	5.054	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	538341990	SIOKVZPBUCNESV-CYBMUJFWSA-N	409.408	5.417	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1	540149738	YWGNHMGYUYUZJR-QRWLVFNGSA-N	411.489	5.467	30	20	HKED	
COc1ccc(Cl)cc1[C@@H](CC(C)C)NCc1nnc(-c2cccc(C#N)c2)o1	540414242	MKDOMUSDRFLSJN-LJQANCHMSA-N	410.905	5.147	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	549387687	WSYGEJCCCDCTLL-UHFFFAOYSA-N	416.500	5.758	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1	550281855	MHDXSENTTXPPDD-QGZVFWFLSA-N	404.882	5.139	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(Cl)c1SC(C)C	554466869	PITRCYUJEOJYSH-UHFFFAOYSA-N	408.951	5.536	30	20	HKED	
N#CCc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)cc1	554750177	AOZOXVZUGNYROI-UHFFFAOYSA-N	407.267	5.560	30	20	HKED	
C=CCC[C@H](NCc1cnc(-c2ccncc2)s1)c1ccc(C(F)(F)F)cc1	561565999	KTVRRTOACSLVJG-IBGZPJMESA-N	403.473	6.021	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	576783498	FNJCDQSPVMHKSQ-UHFFFAOYSA-N	423.516	5.206	30	20	HKED	
N#Cc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)c1	580906760	MJDATYVGKKNIBO-UHFFFAOYSA-N	418.500	5.506	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1	588665513	IKRGDSIAVXMGLE-NRFANRHFSA-N	413.443	5.186	30	20	HKED	
C=C1CCN(C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)CC1	594859998	KVPZIKCOVDNWOO-UHFFFAOYSA-N	406.309	5.373	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1C	598583529	OJSUXRGQUNYPKS-INIZCTEOSA-N	417.534	5.438	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	603872845	WBELQYJSLZVYIA-ZDUSSCGKSA-N	403.345	5.370	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c12	603996197	FKHLDRWCVVGGGP-UHFFFAOYSA-N	406.511	5.253	30	20	HKED	
CCSCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	604444964	GTSKFOZAOCRSPF-OAHLLOKOSA-N	414.502	5.831	30	20	HKED	
CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccccc1SCc1ccc(C#N)cc1	608971492	BLZHEKKHBVMIKD-UHFFFAOYSA-N	424.566	5.044	30	20	HKED	
CCCCOc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C)c1	609060167	VABLFHJYZLPNSZ-UHFFFAOYSA-N	404.466	5.470	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1Cl	609164697	UJBZNQSBVZZODJ-GOSISDBHSA-N	420.299	6.382	30	20	HKED	
CSc1ccc(-c2csc(NC(=O)c3cc4ccccc4n3CC#N)n2)cc1	609200532	KTMOQFHKVWQEDZ-UHFFFAOYSA-N	404.520	5.263	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)Nc2nc(C)c(SCC#N)s2)c1	609262241	XQSUAPQYZRLXFW-UHFFFAOYSA-N	423.563	5.136	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](NC(=O)Nc2ccc(CC#N)cc2)CCC3)cc1	609469271	RNCWNDWQPDBLGW-HXUWFJFHSA-N	418.522	5.084	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1Br	609590061	BECCCGFGUQUTHG-LJQANCHMSA-N	409.283	5.023	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CSc2ccccc21	609815966	DGSBYLWUNVDJSL-CQSZACIVSA-N	408.470	5.539	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c3c(C)noc3n2)c(C)o1	613290981	QLUXHYYDOVDEKD-IBGZPJMESA-N	422.444	5.446	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(CC(F)(F)F)c2)cc1Cl	615699431	FGFYJZBFILULAT-KRWDZBQOSA-N	418.806	5.007	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)c2C(C)C)cc1	616564246	HCWQAPKNICJVJY-UHFFFAOYSA-N	413.308	5.735	30	20	HKED	
C=C[C@H](CC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1)c1ccccc1	677524205	YIZCDIFEJVORRF-OAHLLOKOSA-N	409.327	5.175	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)(F)F	678749062	YLTJOZQPKZPJPW-MYJAWHEDSA-N	423.275	5.225	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(Cl)c1F	680621025	HFVUFXMMERLJQI-BQBZGAKWSA-N	409.704	5.258	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1cccc(F)c1	728061882	AXICAKBYCXINRW-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)OCc4ccc(F)cc4C#N)cc3)o2)cc1	728614848	JVQMGRKLNMTOLJ-UHFFFAOYSA-N	413.408	5.080	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F	731146179	FNISMTHGLCXGKX-CGQZWFTASA-N	410.189	5.181	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCCc3cccs3)n2)cc1	731547617	OQEBVLHKUVTCKM-IBGZPJMESA-N	405.548	5.723	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C)Cc2c(CC)oc3ccccc23)c1=S	732550808	QQAMBPIWSUUPOR-UHFFFAOYSA-N	419.554	5.060	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc2ccccc12)c1nc(-c2ccncc2)cs1	734081274	HTYLPNZKTBFNBI-FQEVSTJZSA-N	413.502	5.394	30	20	HKED	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cnccn2)cc1	734751674	WFQOJGHHNCLYPO-RAXLEYEMSA-N	410.477	5.013	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)cc1	735317925	HKFAEOOFVRIXDY-UONOGXRCSA-N	423.365	5.395	30	20	HKED	
C=C(Cl)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	736245166	KMHIATMXDGQFRG-UHFFFAOYSA-N	416.808	5.247	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739590299	IWPBBGSXOOYVSY-UHFFFAOYSA-N	413.502	5.109	30	20	HKED	
O=C(/C=C\c1ccc(Br)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	741447174	IGMTUPRSQGJMBK-AUWJEWJLSA-N	419.340	5.062	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC[C@H]1c1ccccc1	743092741	CGLONJDRZSMAPG-VANUSSGQSA-N	409.533	6.000	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	744028002	GQJHSGYKRXEHMR-GBESFXJTSA-N	401.293	5.007	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(F)cc2OC(F)F)cc1OCCCC#N	748441298	XCHUKEQGQTXBGY-YWEYNIOJSA-N	405.372	5.014	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CON=C(c1ccccc1)C(F)(F)F	751964633	BYWUHRZDLFWTDP-CQSZACIVSA-N	421.444	5.003	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	752635255	CWZCXQLZAVZHBN-OZOXKJRCSA-N	415.459	5.832	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1	752636394	KZMIHCXUEBRFOM-HXUWFJFHSA-N	403.432	5.210	30	20	HKED	
Cc1nnc(-c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)cc2)o1	756942306	DFMZGSQBMWGFCY-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2COC(C)(C)CC)c1	758286832	XZFUVOHHWYUFSO-FQEVSTJZSA-N	409.530	5.394	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	759431630	MIESQPAPDKONEK-KMJQGLECSA-N	410.533	5.157	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	761852417	ZFHIHTVDSBEXHA-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2[nH]ccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	765914593	DKTYHXQZPFJPLK-QUZHSLKNSA-N	403.894	5.834	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	766843108	FGZXQXHWXHWCDZ-LMRWQKIVSA-N	414.317	5.792	30	20	HKED	
N#CCOc1ccc(CNC(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)cc1	769504603	YFDJOVITTXDZKB-FQEVSTJZSA-N	417.431	5.045	30	20	HKED	
COCCc1nc(C)c(C(C)=NNc2nc3cc(C(F)(F)F)ccc3s2)s1	770605650	QXMQMMVALQMVTG-UHFFFAOYSA-N	414.478	5.105	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(Cl)cc(C)cc32)ccc1OC	772987086	RLQJUVXHYJDNCB-FXAWDEMLSA-N	414.933	5.342	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	780158078	FRQVMYDDVHHRPR-INIZCTEOSA-N	406.869	5.462	30	20	HKED	
CN(C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)C1(C#N)CCC1	781800716	ZTQGHRLVKURLIB-UHFFFAOYSA-N	420.310	5.183	30	20	HKED	
COC[C@H](C#N)OC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	785035573	MROOMEWVMLUBHQ-AWEZNQCLSA-N	401.871	5.074	30	20	HKED	
N#Cc1cccc(OCC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c1	791883203	QTABEFLVDFPELH-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
N#CC1(CCCOC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CCOCC1	800151242	IFWFBKJPEQPYGJ-UHFFFAOYSA-N	417.864	5.529	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl	801613636	VZAHJXYCXVPYNG-NRFANRHFSA-N	400.869	5.189	30	20	HKED	
C[C@H](NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)cc1F	806182455	ZJXOSCKEIYQMLK-INIZCTEOSA-N	409.505	5.236	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1	806400310	GMDCXZQNNOZBQM-HNNXBMFYSA-N	406.461	5.009	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(Cl)c1F)c1nc2cc(C(F)(F)F)ccc2s1	810536105	JCALTNCNUKYOTM-LLVKDONJSA-N	412.795	5.527	30	20	HKED	
CC(/C=C/C(=O)c1cc(Br)ncc1F)=C\c1ccccc1OC(F)F	811694042	PECDXXDAONWHIS-HRCSPUOPSA-N	412.205	5.427	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=S)Nc3ccc(OC(F)F)cc3)cc2)ccn1	811708463	ZBKLMZCJGOSGNL-UHFFFAOYSA-N	412.421	5.156	30	20	HKED	
FC(F)(F)Oc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1	812461509	YDORUVXZAPUXTB-UHFFFAOYSA-N	423.398	5.279	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)on1	813212574	DTBQSIUIAXQXPB-INIZCTEOSA-N	417.412	5.179	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1	916136542	PENRAAWFIGHKMC-GHXNOFRVSA-N	406.825	5.397	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1cccc(Oc2ccccc2)c1)CCCC3	916288480	GMBFDLZLQLIDRC-UHFFFAOYSA-N	401.491	5.011	30	20	HKED	
N#C[C@@H](C(=O)/C=C/Sc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	916904327	AINXMJJMENGRCF-APHAIJBRSA-N	414.486	5.432	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)s1)C(=O)Nc1ccccc1Oc1ccccc1	916907155	VABMFGVTPGFSGT-KRWDZBQOSA-N	424.909	5.474	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2nc3ccccc3s2)cc1	916947631	OXUIPBDXCIDVBB-HMRVGZCKSA-N	403.507	5.171	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc2ccc(OC)cc2)cc1	916949928	QHCAXFOFTUOMEH-CKJXQJPGSA-N	410.539	5.037	30	20	HKED	
C[C@@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917046488	DSSVNARSFHZVCA-ZYHUDNBSSA-N	407.347	5.960	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nnc2n1CCCCC2	917505281	NMMQMWYBQOEZQO-QXLXQBSBSA-N	422.941	5.276	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	920103874	FSQFYDCMNMKIIG-SCLBCKFNSA-N	412.411	5.581	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c[nH]c3cccc(C)c23)c1	920368493	AKMXWAXQAPHRKL-UHFFFAOYSA-N	419.554	5.250	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2)cc1	920998470	WZOZMBZVLUUIAI-UHFFFAOYSA-N	414.317	6.466	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)C)C4)ccc12	1523678967	LWUGPTLMMQRZBN-AWEZNQCLSA-N	405.523	5.195	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)CCC1	1791336617	VSNBXHFIQKGLSK-LJQANCHMSA-N	422.594	5.234	30	20	HKED	
C=CCn1c(S[C@H]2CCCCC2=O)nc2scc(-c3ccc(C)cc3)c2c1=O	4286278	CLTJAIPLRKPRNN-SFHVURJKSA-N	410.564	5.223	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccoc1C	7426971	YZBWUWVPEGKENK-UHFFFAOYSA-N	413.890	5.028	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1C#N	24732700	RCQRGZQEQUYWKX-UHFFFAOYSA-N	406.338	5.132	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2cccc(C)c2)cc1	28780133	AHMOTSMFHQSIRO-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=CCn1c(SCc2cnn(-c3ccccc3)c2)nnc1-c1ccc(Cl)cc1	29829725	SJUXTCRNUZRJCJ-UHFFFAOYSA-N	407.930	5.263	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(Cc1ccco1)Cc1cccs1	45611925	WTMQKWFMUXOODW-UHFFFAOYSA-N	418.440	5.123	30	20	HKED	
CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccc(C#N)c(C)n1	72029064	KPLWFXPFISRLFY-QHCPKHFHSA-N	405.448	5.334	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	115886145	CKZNPSDMEGUQAB-UHFFFAOYSA-N	411.811	5.068	30	20	HKED	
COc1ccc(CN[C@H](c2oc3ccccc3c2C)C(C)C)cc1OCCCC#N	237283081	ALSYYYZPWDWVRC-DEOSSOPVSA-N	406.526	5.919	30	20	HKED	
C=CCn1c(SCCCO)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12	255927675	HKEKEJLVEVTRLE-UHFFFAOYSA-N	416.550	5.129	30	20	HKED	
Cc1ccc(C)c(OCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	301760652	IYYQMPQYUGKTPR-GOSISDBHSA-N	410.926	5.726	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1	431703244	QDOYAPNYGQCPMV-UHFFFAOYSA-N	402.498	5.398	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1nc(-c2ccccc2)cs1	431939291	RAYMMEOGEIJNMT-XLIONFOSSA-N	404.539	5.605	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)cc2)nc1	434241215	ADNOWYWVESXRMO-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(-c2ccccc2)oc(C)c1C	436109962	WIEGTZSTWUBHMS-UHFFFAOYSA-N	423.472	6.183	30	20	HKED	
COc1ccc(-c2nc(SCCCCC(C)(C)C#N)n[nH]2)cc1Br	436265017	XDXYGQGREDJILJ-UHFFFAOYSA-N	409.353	5.055	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cc1	437675132	OPPLAIVTRPMXCC-UHFFFAOYSA-N	404.297	5.188	30	20	HKED	
CC[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCS1	437955552	OTPWTNMVZSVNLM-SFHVURJKSA-N	415.946	5.150	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Nc2ccc(F)c(C#N)c2)cc1	437986552	MXSNJKWZNGFXAD-MRXNPFEDSA-N	403.457	5.598	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1cccc(Cl)c1	438069766	CMZJLTVIPZYGEI-GJZGRUSLSA-N	403.935	5.323	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCc3c(O)cccc32)cc1F	438661027	MJIZBEIQVFXJAU-LJQANCHMSA-N	403.413	5.004	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1	439381409	CRJYPDRDIWJPNW-DJUQAAIZSA-N	417.534	5.161	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)N(CCC#N)c1ccccc1	439571434	LOMBUYKCMTYKLJ-SFHVURJKSA-N	403.457	5.365	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1	441470394	JKXZHBSTBKBYQC-GOSISDBHSA-N	424.504	5.477	30	20	HKED	
N#Cc1cccc(/C=C/c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)c1	445314088	FSXANGHQEPDDEP-BUHFOSPRSA-N	422.444	5.085	30	20	HKED	
Cc1cc(C)c(NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1	463220429	BYIPLOXYZSAOQF-UHFFFAOYSA-N	403.457	5.466	30	20	HKED	
COc1ccc([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2Cl)c(C)c1	464627935	HJTZLFMBAWQJHU-RUZDIDTESA-N	418.924	5.367	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	464918558	QRFOOXQGDPIYAN-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
C[C@H](CCc1cccn1C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	466131660	RKERLCQZIBAXTP-VGSWGCGISA-N	420.944	5.477	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C	467557811	OAKCKJLGMQVFCE-ZIAGYGMSSA-N	401.482	5.510	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	468548900	QXPLBUJDMUHHRZ-WDEREUQCSA-N	423.275	5.032	30	20	HKED	
Cc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cccc1OCC(F)(F)F	469033747	OUBVQRROVCNQAP-UHFFFAOYSA-N	415.415	5.447	30	20	HKED	
COc1cccc2cc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)oc12	469218487	MUYWJYYCMZHPKJ-INIZCTEOSA-N	403.482	5.197	30	20	HKED	
O=C(CSCC(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474272097	KEMBUUKDFHPEBV-JTQLQIEISA-N	413.305	5.111	30	20	HKED	
CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cccc(SCC#N)c1	476801143	ZOLXQPSZMPPIPY-QGZVFWFLSA-N	417.372	5.158	30	20	HKED	
C=CCCCN(C)C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1	478088157	RBDWANROWWPUKT-CYBMUJFWSA-N	408.365	5.241	30	20	HKED	
CC(C)CN(Cc1ccccc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479188849	GZVDCSGHXHVPFT-UHFFFAOYSA-N	405.542	5.116	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	480385311	PTMSMUYIPWYEEL-QGZVFWFLSA-N	406.935	5.179	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2CC)nnc1-c1ccc(C)cc1	481368383	JRFKYVYPNYJMSU-QGZVFWFLSA-N	406.555	5.121	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1noc(C)n1	482171715	VQZNXFLLWVGMPW-NRFANRHFSA-N	424.932	5.794	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)oc12	483188465	AWLVLDOBCXOLKL-KRWDZBQOSA-N	405.251	5.542	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c2)cs1	486565816	MFZKJFLBGOTGMQ-UHFFFAOYSA-N	405.567	5.443	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)cs1	487275272	WWEQVVKVBMJNFK-JOCHJYFZSA-N	421.591	5.909	30	20	HKED	
N#CCCC[C@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1ccccc1	487350742	FDLBOAPFNDQZIE-QHCPKHFHSA-N	422.532	5.509	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)N[C@@H](c3c[nH]c4ccccc34)C(F)(F)F)CC2)cc1	490787372	ZURNHDWIGLEOIA-NRFANRHFSA-N	424.426	5.142	30	20	HKED	
N#C[C@@H](NC(=O)c1ccnc(SCC(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	496535751	NNSHJHQPZPTJKK-CYBMUJFWSA-N	420.243	5.037	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)cc2)c1	499342105	SSRCPKLAJOJJMO-UHFFFAOYSA-N	413.408	5.326	30	20	HKED	
Cc1sc([C@H](C)NCCCC2(C#N)CCOCC2)nc1-c1ccc(Cl)cc1	499628254	WSYQGRCQMWJXDE-HNNXBMFYSA-N	403.979	5.523	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3nc(-c4cccc(C#N)c4)cs3)o2)cc1	501106335	LTIUITOFVDALAM-UHFFFAOYSA-N	414.490	5.217	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CC[C@@H]1C(F)(F)F	504924998	PKFIAMWYHKAWPZ-ZDUSSCGKSA-N	416.337	5.209	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OCCC(C)C	505365008	YLVZTVGZPYCOEE-QZTJIDSGSA-N	409.530	5.113	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc(-c2ccccc2)cs1	505426325	AKXOCKMKUJTBLG-AWEZNQCLSA-N	423.469	5.702	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)c1ccc(Br)s1	505540364	NMWMDXGSEKROAM-KCJUWKMLSA-N	418.143	5.302	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1	506812835	DGSPMLRINQTLME-IBGZPJMESA-N	420.557	5.173	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OC(C)(C)C)CC1	508949916	JCAOHUNIPFPUHR-UHFFFAOYSA-N	409.361	5.222	30	20	HKED	
N#Cc1c(NC(=O)Cc2c[nH]c3cc(F)ccc23)sc2c1-c1ccccc1CC2	508978076	LJQWICBEJPFWIO-UHFFFAOYSA-N	401.466	5.187	30	20	HKED	
COc1cc(C)c(Br)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	511862621	XPAFPAMDRSDZEM-LBPRGKRZSA-N	419.344	5.270	30	20	HKED	
CN(C(=O)NCC(C)(C)CCC#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	513147297	HQYJAISRMHVAFU-FQEVSTJZSA-N	401.913	5.540	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)nnc1-c1ccco1	514117615	YXHDSDIOOXBCKX-OAHLLOKOSA-N	424.309	5.037	30	20	HKED	
CSC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1COc1ccccc1Cl	515404409	JZRSZPONWMMJEU-OAQYLSRUSA-N	414.914	5.040	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1ccccc1CC#N)c(C)n2Cc1ccccc1	516508989	FGLQZBPQWNCPTI-UHFFFAOYSA-N	409.489	5.325	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1	517604921	YTTDPVTZYFCSBU-KEYYUXOJSA-N	424.125	5.240	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccccc1-c1ccccc1	518241093	VLHXJHGYSWQJJO-IBGZPJMESA-N	416.546	6.155	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCSc1ccc(Cl)cc1	519422863	RBJFMHUSSMBOKH-OAHLLOKOSA-N	404.988	6.103	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)N[C@H](C)c2ccc(C#N)cc2)cc1OC	522840892	ABCSJJCJPCYVCN-DVECYGJZSA-N	400.522	5.519	30	20	HKED	
CCC(CC)(CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)N[C@@H](C)c1ccccc1	524151052	NPMTYFLNOGVAPO-IBGZPJMESA-N	406.574	5.519	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1C#N	524330238	BSVGELGPJROJNE-UHFFFAOYSA-N	403.507	5.304	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNc1c(C#N)nnc2ccccc12	524846287	JUUHUOBWJCREEY-UHFFFAOYSA-N	411.465	5.090	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@@H](C)Oc2ccccc2C#N)cc1	525018704	IKDVVMTZTGKGDI-RTBURBONSA-N	414.505	5.221	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	525558208	AJLGESVHVYQRER-RTWAWAEBSA-N	420.434	5.621	30	20	HKED	
COc1c(Br)cc(Cl)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	525980507	IUSBMRBFKIEMCL-UHFFFAOYSA-N	407.695	5.165	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cccc2cccnc12	532016647	NEMAFAPEYHZHTM-UHFFFAOYSA-N	402.523	5.192	30	20	HKED	
Cc1cnccc1CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	533634033	NVEYFVNJWPXCDW-OAQYLSRUSA-N	404.901	5.063	30	20	HKED	
Cc1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(C)n1Cc1ccccn1	537997254	FZMAJXODACQVTP-UHFFFAOYSA-N	420.516	5.017	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1	538824972	CGXFYMFLWMDJIF-UHFFFAOYSA-N	408.461	5.483	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)cc1	540456499	VOPLAXAFVAHUPQ-MRXNPFEDSA-N	419.550	5.202	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)nc4c3cnn4C(C)C)n2)cc1	540778582	LBCDMTSVYOYMPG-GOSISDBHSA-N	415.522	5.243	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)cc1	544221189	NZPHLPMVHQTNOC-OFNKIYASSA-N	418.585	5.172	30	20	HKED	
N#CC1(c2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)CCCC1	545764313	MAVDCXZYJLRVPM-UHFFFAOYSA-N	400.360	5.278	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1Cl	548618773	MFWLEGZNTNCAPF-HHHXNRCGSA-N	400.931	5.045	30	20	HKED	
Cc1cccn2cc(COc3ccc(CN[C@@H](CCCC#N)c4ccccc4)cc3)nc12	552312248	ZQNNFBNFHBYHCB-SANMLTNESA-N	424.548	5.747	30	20	HKED	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCC(C)(C)CCC#N)CCO2	574190511	BODZZWISGUFKDT-QFIPXVFZSA-N	421.541	5.061	30	20	HKED	
COc1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1C#N	576195063	WCQRHXNOQHYOLY-UHFFFAOYSA-N	411.427	5.183	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)n2)cc1	589196620	OVRJQYCLHVVKPC-SJORKVTESA-N	413.424	5.443	30	20	HKED	
C=CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccncc1	591591498	JOYYGTVQFVNMRV-UHFFFAOYSA-N	409.518	5.357	30	20	HKED	
Cc1sc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(C#N)c1C	603445208	UVYYEYCUEODUMK-UHFFFAOYSA-N	418.547	5.462	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1	603705688	CJMBPRCBRSLHSB-WZONZLPQSA-N	419.569	5.453	30	20	HKED	
N#Cc1ccc(CCC(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1	603991820	SENQOOPZKRDBBA-UHFFFAOYSA-N	414.471	5.381	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(F)ccc2SCC(F)F)cc1	606586328	QJZFNEJTIWESCD-UHFFFAOYSA-N	424.448	5.134	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2Cl)c1	609072991	QDSFYYNNBJQALO-UHFFFAOYSA-N	407.882	5.586	30	20	HKED	
COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609209138	ZASXKTKJNJLIMN-INIZCTEOSA-N	417.465	5.250	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCOc1ccc(F)cc1	609434743	NDCBWFIFIKVXHF-INIZCTEOSA-N	401.507	5.153	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCN1CC1CCCCC1	609452152	USDAMLCYJLJBJP-AZUAARDMSA-N	414.619	5.105	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	609669340	MGAVFIGBFBFCPI-IUCAKERBSA-N	405.264	5.293	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1	609695179	DDUAOGZHODHDSA-SSEXGKCCSA-N	415.558	5.386	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1	609757566	JYRNQHGYHXFQFA-NRFANRHFSA-N	411.933	5.006	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)ccc2o1	609808851	JGDKULPCAJJQSS-UHFFFAOYSA-N	418.497	5.072	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cnc4ccsc4c3)cc2F)c1	610227228	MOKKDLJLYAIOQN-UHFFFAOYSA-N	403.438	5.138	30	20	HKED	
C=CCN(C(=O)c1cc2c(C)cc(C)nc2s1)c1nc(-c2ccccc2)cs1	613297337	XKFYALUHUSJTFT-UHFFFAOYSA-N	405.548	5.869	30	20	HKED	
Cc1ccc(-n2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c(-c3ccccc3)n2)cc1	614439586	ATGIQKCUBCPOJY-FQEVSTJZSA-N	418.456	5.479	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)cc2nccnc12	614492847	UCNCPUBXCZNCHX-UHFFFAOYSA-N	403.257	5.059	30	20	HKED	
CC(C)(CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(C(F)(F)F)cc1	615852560	PMUGYVZGSVCPCQ-UHFFFAOYSA-N	415.242	5.591	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)oc2c1	620304378	WUFZOSVHLZFUOL-NRFANRHFSA-N	418.452	6.147	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F	642282678	UULHPMHTLQLNQR-IBGZPJMESA-N	417.415	5.500	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	684695758	GQPWSVCYWSUGRY-BDAKNGLRSA-N	420.300	5.502	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1	725722693	TWYCCJJFIYFMEV-UHFFFAOYSA-N	402.237	5.246	30	20	HKED	
CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1ccccn1	725855086	SQZDFWOKQOUGIT-UHFFFAOYSA-N	424.327	5.352	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	729888560	IFXLXAWLHCMZRU-LLVKDONJSA-N	423.708	5.823	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F	731025834	OMANBSFMFAXUKR-PLSXKVAHSA-N	406.429	5.489	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1	731288377	RMMFHCFENSWQDP-GUDVDZBRSA-N	402.906	6.083	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1	733634051	VXLKPPFYHGZJGC-UHFFFAOYSA-N	410.474	5.360	30	20	HKED	
O=[S@@](Cc1ccccc1)Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1	734753364	TUFSAVDWZBPSRO-MHZLTWQESA-N	418.345	5.899	30	20	HKED	
C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccc(F)cc1Cl	735318958	SRIIZZFFWIEJOA-NSHDSACASA-N	413.301	5.295	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	739142260	IFXRITQWYWYIMR-FZKQIMNGSA-N	412.411	5.266	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccsc1	739156713	PQGDXIVREVYSEC-HZMBPMFUSA-N	407.347	6.158	30	20	HKED	
Cc1cc(OC(F)F)c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)s1	739594335	IZYUELYZMISJKT-UHFFFAOYSA-N	404.463	5.188	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCS[C@@H](c4ccccc4)C3)c2)s1	740483723	VTEVPYKUHAPWOI-JOCHJYFZSA-N	419.575	5.286	30	20	HKED	
O=C(/C=C/c1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1)c1ccc2c(c1)COC2	742436998	PKCKKGLHECXDRW-ZVSIBQGLSA-N	422.480	5.539	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744029816	WNUPKTLFRYGPEM-HNAYVOBHSA-N	424.422	5.700	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@]12CCc1ccccc12)c1nc(-c2c(F)cccc2F)cs1	744074235	KBLDDQGHZGKDGF-WREIHNQOSA-N	406.457	5.169	30	20	HKED	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744936168	NCPAVYYVIPCWCC-ABAIWWIYSA-N	418.852	5.385	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1	745820179	IBSIZGNMPHHDRK-HSZRJFAPSA-N	423.532	5.551	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(C)Cc2c(Cl)cccc2Cl)c1=S	746029177	OHJVWGTXHUXQCP-UHFFFAOYSA-N	409.342	5.256	30	20	HKED	
COc1cc(/C=C2/CCc3cc(SC)ccc3C2=O)cc(Br)c1O	748148097	QMPZCFSJOLKWQN-QPEQYQDCSA-N	405.313	5.098	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)CCCCc2ccc(Cl)c(Cl)c2)c1OC	753561136	CFMHONDMSFANNP-GOSISDBHSA-N	421.324	5.104	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1nc2ccccc2n1C	754706662	NZXIZPJLJYYTFO-UHFFFAOYSA-N	406.921	5.041	30	20	HKED	
Cc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1-c1ccc(F)cc1	756234240	UKOGGQWTHQEIDV-GOSISDBHSA-N	412.873	5.477	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc(-c2ccccc2)cs1	759216822	GMXIZZURGYNLLT-OEIFXAAASA-N	415.905	5.901	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)c1c(C(F)(F)F)ccnc1Cl	759407439	AHDGLDYUUSSSQG-UHFFFAOYSA-N	400.787	5.406	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)c1=S	765034394	ANRHGXYHNIOGFO-UTKZUKDTSA-N	423.561	5.232	30	20	HKED	
C=CC[C@H](NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccncc1	769509541	JWGUZGXBBBVQLP-VQTJNVASSA-N	403.448	5.654	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cs1	773317429	OMXCJOOEZNDZQC-LJQANCHMSA-N	408.552	5.098	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccccc2OC)C2CCCC2)ccc1OC	774450871	VLGYWVWEOYJJMZ-NBGIEHNGSA-N	408.542	5.406	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C	778736005	YDBLPUYQSZPLQX-UHFFFAOYSA-N	413.562	5.166	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	779713138	PDFLIPPWTAXEMR-NWDGAFQWSA-N	411.811	5.089	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1	780668941	GGPHPJDGMUVGBP-ROUUACIJSA-N	405.523	5.834	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1	782803791	XRMSSHMUKVWYIR-XMMPIXPASA-N	405.457	5.072	30	20	HKED	
Cc1cnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1	783012348	FHCBMAXIIYGVCT-LBPRGKRZSA-N	422.316	5.882	30	20	HKED	
C/C(C=Nn1cnnc1SCc1ccc(Cl)cc1)=C\c1cccc([N+](=O)[O-])c1	787151969	CLAIODCRRWYBEJ-BJSHFWDCSA-N	413.890	5.069	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc3cc(Br)cnc23)cc1Cl	795108604	VAVOXJJAWWDJSV-UHFFFAOYSA-N	417.719	5.331	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)N[C@H](C)c1ccc2ccccc2c1	795989941	IFNBBIUNSVKEJI-YDIMBITNSA-N	414.505	5.036	30	20	HKED	
C=CC[C@H](OC(=O)c1csc(-c2cnccn2)n1)c1ccc(Cl)c(Cl)c1	797554540	VFTYLLIAAUDGEQ-INIZCTEOSA-N	406.294	5.381	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC(C)(C)CCC#N	798878511	IUWRTOZTEMHQFR-CQSZACIVSA-N	406.935	5.490	30	20	HKED	
N#CC1(CCCOC(=O)c2cc(-c3cccs3)nc3ccccc23)CCOCC1	800097722	ZZDLBFUCVZSIGM-UHFFFAOYSA-N	406.507	5.221	30	20	HKED	
COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	810456115	IBTRBNNABCLTRG-UHFFFAOYSA-N	424.815	5.182	30	20	HKED	
Cc1c(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)cnn1-c1ccccc1	913617652	QIKAZINVJYRNKB-KTKRTIGZSA-N	405.889	5.056	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)cc1	915353879	RECCRJXLFQWJHJ-IRLDBZIGSA-N	417.509	5.840	30	20	HKED	
COc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c2ccccc12	915944626	LKZUPBVWZXRJBG-UHFFFAOYSA-N	424.529	5.355	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)CC1=O	916846103	HWMPONNEZAZAEN-JZXOWHBKSA-N	417.534	5.039	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(SCc2ccccc2)cc1	916883457	KPJPNILWEBUTBY-NRFANRHFSA-N	420.921	5.593	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12	916903129	LHIWPJILULVTPV-QFIPXVFZSA-N	424.500	5.601	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995405	FLHQAKYRUIAGPL-HNNXBMFYSA-N	421.374	6.378	30	20	HKED	
O=C(Nc1ccc(C(=O)N2CCCSC2=Nc2ccccc2)cc1)c1cccs1	917510312	BCBDKPHMSFFFCQ-UHFFFAOYSA-N	421.547	5.267	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(CC(C)C)cc2)cs1	917564058	VRYJSRQRXHSEKS-RAXLEYEMSA-N	422.525	6.061	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)n1	919864147	IZQIZHRCJFLETR-UHFFFAOYSA-N	423.563	5.655	30	20	HKED	
CC(C)CN(CCC#N)Cn1nc(-c2ccc(F)cc2)n(Cc2ccccc2)c1=S	919945240	YSQZRGSJDIJBNZ-UHFFFAOYSA-N	423.561	5.098	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	920110806	WGJSXIJBDHEDGY-AUSIDOKSSA-N	412.489	5.006	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1	1791945327	ZSVILRFKDAJGMS-UHFFFAOYSA-N	408.542	5.257	30	20	HKED	
C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1	1831857020	SIVDFIWZXYMDEE-XRODADMRSA-N	410.602	5.012	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2)cc1	10170767	WTMHNTBBIBEXFV-UHFFFAOYSA-O	415.582	5.466	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2cccc(C)c2)c1	28780867	VUXNCVDRSLOSKE-UHFFFAOYSA-O	403.571	5.567	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1COc1ccccc1)c1nc2ccccc2n1C(F)F	41557284	AQIZWSLWCZMHPY-IBGZPJMESA-N	417.415	5.500	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1Cl	46861738	KQTHTBQBNRFTHC-LJQANCHMSA-N	412.823	5.849	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1	53743620	OKISVYWBUUXBHR-QFIPXVFZSA-N	411.534	5.173	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1	303354114	FVDMYXURLDCFOL-IAGOWNOFSA-N	407.539	5.316	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1	303504184	RYHAGGLYLKZCPV-XOKHGSTOSA-N	404.457	5.699	30	20	HKED	
COc1ccccc1-c1nnc(S[C@@H]2CC[C@H](C#N)C2)n1-c1ccc(Cl)cc1	430146040	IFSQHXJRTGYPMA-WMLDXEAASA-N	410.930	5.381	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C	431364326	URRMBYKJNWASIE-UWJYYQICSA-N	423.582	5.231	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccccc3NCc3ccco3)n2)c1	432685632	OYRUUUSGIZIFRZ-UHFFFAOYSA-N	400.463	5.139	30	20	HKED	
CC(C)c1ccc(-c2ncc(CS(=O)(=O)CCCCC(C)(C)C#N)s2)cc1	436086139	HMZNJZXCSAXKRV-UHFFFAOYSA-N	404.601	5.568	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C	437871237	UOLKPEZDSICPRI-IBGZPJMESA-N	417.431	5.485	30	20	HKED	
CCOc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C(F)(F)F)c1	438214981	KZXLIABXMPQDNH-FXAWDEMLSA-N	417.431	5.408	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)N[C@H](CCC#N)c3ccccc3)cc2)cs1	438856700	LNWYOSMNGJOACM-IIBYNOLFSA-N	404.539	5.524	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(F)cc2)C2CC2)cnn1-c1cccc(C#N)c1	439667052	QSGBROXRIPNBBQ-UHFFFAOYSA-N	417.488	5.032	30	20	HKED	
Cc1nc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)oc1-c1ccc(Cl)cc1	440226868	MYNCWDMKMVKETD-IBGZPJMESA-N	408.889	5.148	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1C	441278742	APIKBHOTTIAIOF-NSHDSACASA-N	418.143	5.429	30	20	HKED	
Fc1cc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc(C(F)(F)F)c1	446845002	KGOOCGFDEZTLIX-UHFFFAOYSA-N	421.356	5.659	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CN[C@H](CC)c1ccc(C#N)cc1	447529781	LAFVBAVDZKHZOL-JOCHJYFZSA-N	401.510	5.775	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc(Cl)c1O	460126680	HCLFFJNSXRCYFZ-UHFFFAOYSA-N	412.804	5.110	30	20	HKED	
N#Cc1ccc(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c([N+](=O)[O-])c1	463068003	PAKLSSKBJZKKFR-UHFFFAOYSA-N	404.373	5.221	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)oc12	464397859	JRISWWGFMWGWFB-CYBMUJFWSA-N	423.188	5.408	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464472576	PNQBAHMKWIYRNC-MRXNPFEDSA-N	412.415	5.074	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nnc(-c2c(Cl)cccc2Cl)o1	464821011	GECLFRJXGXXWMA-MAUKXSAKSA-N	413.308	5.315	30	20	HKED	
O=C(NCC1CCC(C(F)(F)F)CC1)N[C@H](c1ccc(F)cc1)C(F)(F)F	465973791	RYKCZTPVWASOLG-MMWSSPAHSA-N	400.338	5.097	30	20	HKED	
CCC(CC)c1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)on1	466117854	SAHDRWAQGPRDMB-UHFFFAOYSA-N	404.470	5.564	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	466592064	XSZCNNKZNZDZSK-ZDUSSCGKSA-N	407.461	5.587	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1Cl	473629633	DLWCWBIQXVYRJN-XUZZJYLKSA-N	423.944	5.420	30	20	HKED	
Cc1ccc(C)c([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	474223174	MPIYKXAXDKZERH-GCJKJVERSA-N	407.583	5.331	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1	478081057	DBDLNYHNUYJOKX-GOSISDBHSA-N	415.543	6.041	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1c(F)cccc1Cl	478379830	PZSWNOFODPAGIV-MRVPVSSYSA-N	406.729	5.066	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479181182	BWVWUWNYWKQSCW-RPCJCACASA-N	417.509	5.397	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1	481540006	FRPCEVDPGVYLQH-ROUUACIJSA-N	423.929	5.162	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccco1)c1ccccc1C#N	482155227	SFLMAUJGGWBQBN-AWEZNQCLSA-N	415.276	5.459	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C	482588942	RKIPNGACXRQVDA-DGCLKSJQSA-N	400.454	5.054	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1	483021474	GWYMEBDJUNYSSZ-QPPBQGQZSA-N	416.569	5.006	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	483319226	BCBBBSYERCLFEI-QGZVFWFLSA-N	401.466	5.151	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	483478261	SPUKEVILTJPIFW-ZDUSSCGKSA-N	411.914	5.808	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	486528104	JCFQGCRRTOKGKY-FQEVSTJZSA-N	417.534	5.269	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccccc1	487457086	XKIAAJXIDJALFX-IBGZPJMESA-N	418.518	5.351	30	20	HKED	
C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1	489974268	WVTHQXBSPCSSTO-KOSHJBKYSA-N	410.521	5.474	30	20	HKED	
CCN(Cc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1)C(C)C	499835571	DOWZHWMFCGCGIO-IBGZPJMESA-N	404.341	5.218	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cs2)cc1	502758737	CLTRZOZSWVRRRS-MRXNPFEDSA-N	403.463	5.229	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1	505246459	GQHZUVCYEVUONL-QGZVFWFLSA-N	402.560	5.250	30	20	HKED	
CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21	508265429	NJFNPNSLMRYZLG-KRWDZBQOSA-N	416.344	5.412	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1	508577431	HFIXGIBFJJUNGA-IBGZPJMESA-N	422.598	5.042	30	20	HKED	
COc1ccc(F)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	510282378	OIIKQJICHIPTFO-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
Cn1cnc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc21	510635819	XAXXWXBZWOZIKX-LJQANCHMSA-N	400.869	5.134	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1	512917879	VHMXVICMOWDPGI-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1	513466918	MPVMTKXQVYUBCE-KRWDZBQOSA-N	414.480	5.282	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	513674973	MRRQAECUGKJEPE-RDPSFJRHSA-N	406.526	5.111	30	20	HKED	
C[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)c2cc(C(F)(F)F)ccc2S1	515701567	POXOANVENHEHDP-AWEZNQCLSA-N	404.457	5.427	30	20	HKED	
C[S@@](=O)Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	516002895	ZBQKRBIALOCZPC-GDLZYMKVSA-N	424.909	5.135	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2ccccc12	518169709	SUWSERXDDWELTO-MBSDFSHPSA-N	415.562	6.461	30	20	HKED	
CCCN(CCC)C(=O)CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	518303288	LTBQYUASCPUEOI-UHFFFAOYSA-N	407.514	5.026	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	518756149	CWOJUWMLZHPAQK-QGZVFWFLSA-N	402.519	5.350	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1	519179498	PJXNKJHJBTXJEF-OAQYLSRUSA-N	412.493	5.377	30	20	HKED	
C[C@H](OCCCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1	522320527	YYKVIODWODESGE-FQEVSTJZSA-N	414.505	5.035	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1	523016351	KGKBPHAYDZYTHZ-GHTZIAJQSA-N	421.516	5.050	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1	524198980	GJZONMBNVRGKHU-HJPURHCSSA-N	404.539	5.057	30	20	HKED	
CSc1cccc([C@H](NC(=O)Cc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1	530915406	YAWCKEZMXFCJHI-QHCPKHFHSA-N	408.473	5.007	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1Cl	534874312	ZKYJJLKJZCGYCM-FQEVSTJZSA-N	403.869	5.376	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1C(F)(F)F	535500421	BQKNVZLXKPILPY-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1	536232241	JFBYHXLWKFHILF-UHFFFAOYSA-N	414.852	5.394	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(OC2CCCCC2)c1)c1nc2ccccc2n1C(F)F	536766046	CQQUYBIGIDUSNH-INIZCTEOSA-N	410.424	5.028	30	20	HKED	
COCCOc1c(Cl)cc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1Cl	539131837	UXPIJVRXTKTYIR-GOSISDBHSA-N	422.312	5.185	30	20	HKED	
CC(C)[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccc2nc(O)oc2c1	540315805	NJDMZDBKLHJYEU-MTNXOHHFSA-N	405.498	5.082	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F	542538146	MFSQLQAWPHITBI-HNNXBMFYSA-N	419.412	5.449	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	542584751	LNFFVBMNJHDAPW-CYBMUJFWSA-N	411.914	5.302	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)c1	543618837	XIFMGUCRNSMMQQ-RSXGOPAZSA-N	416.496	5.286	30	20	HKED	
N#CC1(c2ccc(-c3nc(Cc4c[nH]c5cccc(Br)c45)no3)cc2)CC1	545778257	IPLVZSJPDNWEBG-UHFFFAOYSA-N	419.282	5.126	30	20	HKED	
CC(=O)c1ccc(F)cc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	550998528	DOALKECNYRWXTG-UHFFFAOYSA-N	423.284	5.083	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nc(-c2c(F)cccc2F)cs1	552976631	GOPHLKMZNBRUII-ZDUSSCGKSA-N	424.407	5.108	30	20	HKED	
C[C@](C#N)(NC(=O)c1oc2ccccc2c1CSc1ncccn1)C1CCCCC1	555905041	SYQAITUVFSJDNG-HSZRJFAPSA-N	420.538	5.107	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1ccc(Cl)cc1	560207327	ZHFLUJIVMGXHDQ-OAHLLOKOSA-N	401.963	5.055	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	563999854	NPBUHPODSKIJNE-UHFFFAOYSA-N	419.447	5.079	30	20	HKED	
C=C(C)C[C@H](C)c1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1	569888242	PMERVPJHJSMWDC-LBPRGKRZSA-N	402.907	5.097	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1cccs1)C(C)C	572388099	KQLMTNIJHRIJDO-SFTDATJTSA-N	408.571	5.186	30	20	HKED	
Cc1ccc(S[C@H](C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	603995733	WYZJHSHBSBPIJB-QGZVFWFLSA-N	415.518	5.238	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)c(C)c1	604526213	QTZIQDJKFAZVCD-SFHVURJKSA-N	411.571	5.438	30	20	HKED	
COc1cc(CSCc2ncc(C(C)(C)C)o2)ccc1OCc1cccc(C#N)c1	609741147	ONDVAYAKGYBUTA-UHFFFAOYSA-N	422.550	5.865	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)NC(c2cccs2)c2cccs2)o1	609978424	MCXCGVAFUYUIRG-UHFFFAOYSA-N	420.515	5.373	30	20	HKED	
CCOC(=O)[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Br)cc1F	610087510	GGLAHMNLEHHYNJ-SFHVURJKSA-N	419.294	5.106	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1	610319480	BADRYQTWABRSHJ-OAHLLOKOSA-N	421.526	5.298	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccncc1	610558669	FBJULIJVXYEZRL-INIZCTEOSA-N	420.900	5.111	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1cccc(C#N)c1	611349339	CRKDLUZLGUHNHT-OAHLLOKOSA-N	401.432	5.227	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(CN(CC)CC)cc1	612208166	URSLSZCBVMPFFK-UHFFFAOYSA-N	405.995	5.141	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	612894890	WWBZNKFNLPFXPQ-QGZVFWFLSA-N	419.893	5.917	30	20	HKED	
CSc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1NC(C)=O	613319146	QUMBMGFHHBSAJF-KRWDZBQOSA-N	421.547	5.289	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)c2c(Cl)cccc2Cl)cc1	624889771	BXVLAAQBNWJCBW-HNNXBMFYSA-N	417.336	5.550	30	20	HKED	
CC(C)[C@H](C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	677298912	BKLDHOSTYJSDBQ-IOASZLSFSA-N	413.377	5.591	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc2ccc(F)cc2c1	677515245	RDWAKILOLBXCJX-IMRBUKKESA-N	408.317	5.013	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	678572182	GWVAECKETBLOJW-KRWDZBQOSA-N	420.394	5.442	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	682053167	PFUFBHJCZPXDAQ-JTQLQIEISA-N	410.280	5.339	30	20	HKED	
O=C(Nc1ccc(-c2ccco2)cc1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	683811769	NLXSQMCYEBYYRT-QWRGUYRKSA-N	410.289	5.290	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)cn2)c1	726913916	VFVJXKZCBWNFLB-DEOSSOPVSA-N	413.477	5.385	30	20	HKED	
CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCCC1	727134569	ZYTXOOLXPYWMIC-NRFANRHFSA-N	419.525	5.118	30	20	HKED	
N#Cc1ccccc1NC(=S)N(Cc1ccccc1C(F)(F)F)C1CCCC1	729158059	JLRPCOMJBZUWTQ-UHFFFAOYSA-N	403.473	5.719	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2)C2CCCC2)ccc1OC	733644723	GGPWQMQGYUIJRK-QPPBQGQZSA-N	421.541	5.107	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3nccn3Cc3ccccc3)s2)cc1	734096018	VEUCDFKPAVJDDS-SEYXRHQNSA-N	415.518	5.268	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3Cc3ccccc3)[nH]c12	735787724	DUVSRYWLKJPURN-GHTZIAJQSA-N	409.489	5.106	30	20	HKED	
CCCOc1c(Cl)cc(/C=C/C(=O)c2c(Cl)nc3ccccn23)cc1OC	737448866	KEULEZOSFUKZBE-BQYQJAHWSA-N	405.281	5.335	30	20	HKED	
CN(C)C(=O)Sc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	737844959	VEBMIKNUUFLFDT-UHFFFAOYSA-N	416.506	5.328	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21	741194824	OOQORVRZZLTCIF-MGPUTAFESA-N	404.491	5.070	30	20	HKED	
Fc1ccc2oc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)cc2c1	741758904	NTGKZRDDWKWKHR-UHFFFAOYSA-N	402.454	5.078	30	20	HKED	
Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1	743093469	VLIHLEZKPWPTLL-RSXGOPAZSA-N	424.548	5.441	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1	743877321	OUGNOMQLDGOIIN-SYVPYPDPSA-N	416.546	5.486	30	20	HKED	
CCCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	744060999	DVBMGALUQIRBGE-NRFANRHFSA-N	420.534	5.417	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1C(F)(F)F	744117088	UCLKRONEFUQTNK-BMGYJQCNSA-N	404.388	5.734	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@H](c2ccccc2)c2ccncc2)cc1OC	744963021	RZJPUCVUJXHBPP-MYHFBWBUSA-N	401.462	5.001	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc([S@@](C)=O)cc1	746369228	UQUQOJWNUWWVSD-GDLZYMKVSA-N	424.526	5.071	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C2SCCS2)c1	746660282	NYXMEFHYRJSLLW-UHFFFAOYSA-N	411.596	5.727	30	20	HKED	
O=C(/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2s1)c1ccccc1	748146877	BPKMZGOZCZWXBC-VBKFSLOCSA-N	402.431	5.334	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)/C=C\c3cc(C)n(C4CCCCC4)c3C)nc12	750724081	MFHIIOIAXFQXMY-GDCKJWNLSA-N	401.514	5.080	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)nc2ccccc21	751823885	VXLVTFQDZXQOAI-INIZCTEOSA-N	420.925	5.134	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1	752011494	BUDYCWCWNANCGT-OAQYLSRUSA-N	409.917	5.020	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2cccc2)nc1)c1nc(-c2ccc(Cl)cc2)cs1	753394849	NBKKPHQDKSEWOA-QGZVFWFLSA-N	404.882	5.139	30	20	HKED	
Cc1ccc(-c2csc3ncnc(NN=Cc4cnc([C@H]5CCCO5)s4)c23)cc1	755591222	ASZUYPRWOZTOML-QGZVFWFLSA-N	421.551	5.421	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccncc1	757212738	XNPNDOQUESMWAS-OAHLLOKOSA-N	416.255	5.106	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)cc2)cc1	758588795	KFKHEUDFXWNYAL-DENIHFKCSA-N	417.465	5.064	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccncc1	759216304	ABCPGIKUKWJKOU-GBHQCPNNSA-N	405.567	5.376	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1	759589127	RLFWSVGHJRXPSO-GMAFFVFYSA-N	408.379	5.318	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C(F)F	760737180	TVWZCLYXGAGQMY-LJQANCHMSA-N	423.467	5.776	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	761664534	MCSVEKUNQJCSJQ-KRWDZBQOSA-N	407.367	5.116	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)[C@@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CC2	763953220	TWPYRLOYLZQAOB-GOEBONIOSA-N	410.445	5.003	30	20	HKED	
Cc1oc2ccccc2c1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	767965181	CUXHPVPNDMLYQQ-HNNXBMFYSA-N	408.429	5.562	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](Cc2ccccc2)c2sccc2C)ccc1OC	772986192	NZKWYQBVRYQVRE-FCHUYYIVSA-N	420.578	5.820	30	20	HKED	
CN1C(=O)CCc2cc(/C=C/C(=O)c3ccc(SCC(F)(F)F)cc3)ccc21	774129390	FESCDJDBCIYXEG-XCVCLJGOSA-N	405.441	5.146	30	20	HKED	
C[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782828429	DUTSHWCTYBGXOB-HJPURHCSSA-N	404.897	5.180	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Cl)ccc1Br)c1nccc2ccccc12	792092532	CRCRGGCPDWFEIN-KRWDZBQOSA-N	413.702	5.460	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)c1nccc2ccccc12	792099027	GJRVAFPQMWDTHW-LEQVUBRHSA-N	407.473	5.461	30	20	HKED	
CCc1c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cnn1-c1ccc(Cl)cc1	792485799	FUVOBVXIISMNGT-CQSZACIVSA-N	409.877	5.023	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cc(-c2ccccc2Br)no1)c1ccccc1	795094468	ZPLFJXLMTIXIEZ-HNNXBMFYSA-N	410.271	5.130	30	20	HKED	
N#C[C@H](C(=O)Cc1csc2ccc(Br)cc12)c1cnc2ccccc2n1	796899279	JJEYNRSJWNPUBM-HNNXBMFYSA-N	422.307	5.026	30	20	HKED	
CCN(C(=O)c1ccc(C)c(C#N)c1)[C@H](c1cccnc1)c1csc2ccccc12	799336200	JWJALUXJBRKTKN-XMMPIXPASA-N	411.530	5.728	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl	800576559	PSBDAWRYNDMVPO-HXUWFJFHSA-N	414.981	5.989	30	20	HKED	
C=CCCc1ccccc1NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F	800592537	UHOZRBQNRLBAAU-FQEVSTJZSA-N	420.456	5.194	30	20	HKED	
COc1ccc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)cc1OCc1ccccc1	806563396	WCPWXRPBNQEILH-DUBROFONSA-N	414.457	5.112	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2=CCCC2)cc1	810529958	RUZJOHKZMCLSQL-LJQANCHMSA-N	412.461	5.530	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(Br)c1	813060300	VAVYBUSABGZKLA-KUHUBIRLSA-N	421.294	5.053	30	20	HKED	
CC1(C)CN(c2nc(Cl)c(C#N)s2)C[C@H](c2cccc(C(F)(F)F)c2)O1	814374056	BPMMNWZMVHQPCA-GFCCVEGCSA-N	401.841	5.043	30	20	HKED	
CCN(C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)[C@H](C)c1ccc(C#N)cc1	914509584	RTVYFQTYLZWDNI-VVAUGKOFSA-N	415.375	5.202	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1OC	915086447	JRDGMOSUSSHKSV-QHCPKHFHSA-N	412.489	5.340	30	20	HKED	
C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915359726	ZJCWOGKOJZCYIE-HYBUGGRVSA-N	404.558	5.118	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2c(F)cccc2F)cc1OC	916838108	IZDKCBWKZBGPKC-LBPRGKRZSA-N	412.274	5.152	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1	917044716	UWPOYKQUVDPPOD-IYNGYCSASA-N	406.816	5.858	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1	919904202	AVOJGCQKAKVADK-DEOSSOPVSA-N	415.493	5.023	30	20	HKED	
COc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920140294	AWGKMIJXFXCPCB-IBGZPJMESA-N	419.531	5.049	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1c(C)cccc1C	11153236	NIYSAJSLDIZSFZ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
C=CCn1c(SCc2c(C)noc2C)nc2cc(-c3ccccc3)sc2c1=O	24090790	DIESPYXGGJHKDX-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
CCN(CC)c1ccc(-c2nnc(SCc3ccc(C#N)cc3F)n2CC)cc1	29618308	SGZAPDTTZPFJIE-UHFFFAOYSA-N	409.534	5.114	30	20	HKED	
C=CCn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccoc1C	31649717	MPHUQWPDGNGFNR-UHFFFAOYSA-N	408.552	5.372	30	20	HKED	
CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H](C)c1ccc(C#N)cc1	42742080	HNNIXAYCPKTTSA-CYBMUJFWSA-N	409.839	5.252	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1	46879905	KSGQSXTXCRDLQB-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	48161466	PRTDMRXDYCFVGJ-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
N#CCCCOc1cccc(NCc2nc(-c3ccc(Br)cc3)c[nH]2)c1	236750422	XXEAUHFMMYVCGL-UHFFFAOYSA-N	411.303	5.134	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2cnc3cc(Cl)c(Cl)cc3n2)ccc1OC	302089879	LTRHACITHQZNHK-ZDUSSCGKSA-N	417.296	5.238	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1	303729323	DDDDALBFSPKBEQ-INIZCTEOSA-N	404.432	5.230	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1	303804726	ASMVSJGHBCMSBC-RTBURBONSA-N	420.415	5.380	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl	303929526	ZUDGRDKOUXEEHD-DLBZAZTESA-N	421.859	5.589	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4ncon4)cc3)cc2Cl)cc1	409846688	ZOXSANZUPGBKNF-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(Cl)s1	426276647	GYICGAHFUZBIMI-SNVBAGLBSA-N	418.893	6.168	30	20	HKED	
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1Cl	427276882	QJPMNQRYQFQLPG-GFCCVEGCSA-N	424.715	5.061	30	20	HKED	
COc1cc(COc2cc(F)cc(F)c2C(C)=O)ccc1OCc1cccc(C#N)c1	428013206	XGXOWWDETZULQA-UHFFFAOYSA-N	423.415	5.206	30	20	HKED	
N#CCCn1ncc(C(=O)NCC2(c3cccs3)CCCCC2)c1-c1ccccc1	428657994	VSYCOALXKVKWAE-UHFFFAOYSA-N	418.566	5.157	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccccc1	432762469	GXEXTYQBTMGGSP-SFTDATJTSA-N	407.514	5.191	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cc([C@H]2CCCO2)nn1C)c1ccc(C(F)(F)F)cc1	433440249	RKRHUVQNXTUQDZ-FUHWJXTLSA-N	422.451	5.119	30	20	HKED	
O=C(Nc1ccc(CCC(F)(F)F)cc1)N[C@H](c1cc(F)ccc1F)C(F)F	433591879	DXAMWGFSACFMPX-OAHLLOKOSA-N	408.317	5.588	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(CCCO)Cc1cccc(Cl)c1	434205960	MMKNANJODSHTEI-MRXNPFEDSA-N	417.962	5.008	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1	435133466	BIPFMVFCOOEEBY-INIZCTEOSA-N	411.958	5.913	30	20	HKED	
COc1ccc(CN[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1OCCCC#N	435744902	HQZSTPPCGJOLNM-KESTWPANSA-N	418.459	5.432	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	438649772	OCWOQPLXQOIZQB-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
Cc1csc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)n1	438675165	YXFIYRJEZBMQEY-HXUWFJFHSA-N	422.485	5.527	30	20	HKED	
C[C@@H](SCc1ccc(C#N)cc1OC(F)F)c1nc(Cc2ccccc2)no1	439552740	WCQCXIWECVRWQQ-CYBMUJFWSA-N	401.438	5.128	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cnn1-c1cccc(C#N)c1	439670026	DPIXFEGZDMVPBZ-HNNXBMFYSA-N	423.467	5.200	30	20	HKED	
C[C@H](Sc1ccccc1C#N)C(=O)Nc1cccc(CSc2ccccn2)c1	439708025	LFGCASMTERYOFG-INIZCTEOSA-N	405.548	5.365	30	20	HKED	
Cc1ccc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	442877627	XEPGWEMAWSLYCW-KRWDZBQOSA-N	422.307	5.243	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1	444387793	INLRQBISOMPXEZ-LBPRGKRZSA-N	422.710	5.661	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2ccc(F)c(F)c2)cc1	446003151	IROHIHJWTSNRPC-UHFFFAOYSA-N	420.459	5.571	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(C)c1Cc1ccccc1	447395732	UDIQRHSIJIEXPL-UHFFFAOYSA-N	422.488	5.236	30	20	HKED	
COc1ccccc1OCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1	460341949	DIGGEBUFBAADSU-UHFFFAOYSA-N	420.896	5.223	30	20	HKED	
Cc1sc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1-c1ccc(F)cc1	464396127	CZFIPSUCKNTBKQ-INIZCTEOSA-N	404.388	5.767	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1cc(C(F)(F)F)ccn1	464416188	GZUREIFJKYXKAR-LBPRGKRZSA-N	407.804	5.367	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(C#N)ccc3F)cc2Cl)cc1	466201556	QAJUAEWXMRIHSE-UHFFFAOYSA-N	420.831	5.336	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN(CC2CCCC2)C1	466289560	VTFXFTMSVAJJHI-NRFANRHFSA-N	418.541	5.045	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(-n2cccn2)c1	467705852	SGWZITBHLCZYGV-SJORKVTESA-N	405.527	5.149	30	20	HKED	
N#Cc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)ccc1F	467774210	XNISQULHEXBBNK-QHCPKHFHSA-N	408.860	5.001	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C	468316912	OTRRUDOFOLZWKY-FQEVSTJZSA-N	404.558	5.690	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1	469117166	RRZLWIVJXUWRDK-HNNXBMFYSA-N	401.432	5.461	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	472748363	IQBHASVVKISZAY-CTNGQTDRSA-N	422.598	5.209	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ncoc3-c3ccc(F)cc3)n2)cc1	473486577	HLRQUKGBLQCASW-KRWDZBQOSA-N	403.438	5.403	30	20	HKED	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	474881856	JONFNBUJLDVNQE-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	474893768	OQTMFTMZGHQTBK-AUSIDOKSSA-N	411.505	5.204	30	20	HKED	
Cc1nc(CC2CC2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	475021819	CYXYDFLZQIYRSW-OAHLLOKOSA-N	413.955	5.671	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(F)cc1)c1ccn(C)n1	475573221	KXRSRJJKWWXVQK-QHCPKHFHSA-N	406.505	5.322	30	20	HKED	
CC(C)(C#N)CCC[S@@](=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	476898727	ASSJGHNEGAXANX-AREMUKBSSA-N	400.491	5.408	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3ccc(Br)o3)no2)c2ccccc21	477186051	JTTHXIOKQSALTL-TWGQIWQCSA-N	409.243	5.131	30	20	HKED	
CC(C)c1csc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	478717793	MQCVOEZNTLYOCT-UHFFFAOYSA-N	410.474	5.391	30	20	HKED	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	480828475	NTKVEKOKCPRQFL-QFIPXVFZSA-N	407.514	5.472	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1	481672936	TWBNIWKIPPLWIR-RUZDIDTESA-N	413.496	5.507	30	20	HKED	
Cc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)n(-c2cccc(C(F)(F)F)c2)n1	481742545	LVXQKGFYKPRWJU-UHFFFAOYSA-N	417.284	5.008	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1ncc(-c2ccccc2)o1	489690542	LXURTECATLZGDM-QGZVFWFLSA-N	418.522	5.551	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1	495092472	IBAAWQSLLIHGSE-FQRUVTKNSA-N	400.497	5.622	30	20	HKED	
CCC[C@@H](CNC(=O)CSc1ccc(C#N)cn1)c1ccc(Cl)cc1Cl	498146739	QGFPRNVKCWGNFN-AWEZNQCLSA-N	408.354	5.052	30	20	HKED	
COCc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	500875517	LOKNJUOHNNSYCW-QFIPXVFZSA-N	419.912	5.464	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1	504272684	WRALDHRYKFCCML-UHFFFAOYSA-N	402.494	5.430	30	20	HKED	
CC[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1c(C)noc1C	505692555	WKPXIVFJTDZSIV-LJQANCHMSA-N	405.454	5.096	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)o2)cc1	505831453	HZUORUFRFALAPJ-OAQYLSRUSA-N	401.510	5.261	30	20	HKED	
N#C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccc(Cl)c(Cl)c1	505992752	RQELOPHZCRNDSA-CYBMUJFWSA-N	420.040	5.029	30	20	HKED	
CCN(Cc1ccc(OCc2ccncc2)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1	508667547	TWJUNMQCXYDXJT-IBGZPJMESA-N	401.510	5.124	30	20	HKED	
CCCCOc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1	509195743	LNYFPQUBOJXIOU-UHFFFAOYSA-N	407.514	5.121	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	509546741	WRGZTXPMODRIRP-UHFFFAOYSA-N	417.509	5.188	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)[C@@H](C)c1ccc(C#N)cc1	509587866	MWHLETSMAULXPG-KRWDZBQOSA-N	415.468	5.173	30	20	HKED	
CCOc1ccc(C2=CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1	510077147	BGJRZKGZCVGZBP-SFHVURJKSA-N	421.566	5.801	30	20	HKED	
CC[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(C)cc1	510238722	ANXNRQIHGSQHLJ-GOSISDBHSA-N	423.567	5.283	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccccc3)C3CC3)c2)c1	511475792	PYMCTLQYKUCFCB-UHFFFAOYSA-N	410.477	5.007	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccnc(OCc2ccccc2)c1	512766695	KPTJMRMMGGMZQW-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
Cc1oc(C2CC2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	513616434	ARSMGHIXNDTMMV-ZDUSSCGKSA-N	418.305	5.781	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(CC#N)cc2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	514343540	KHRVPFMSXUEGIV-WCCBULMPSA-N	422.598	5.294	30	20	HKED	
CCc1nc2cc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)ccc2o1	515715540	DPJYYUZYVSLCGC-CYBMUJFWSA-N	408.527	5.031	30	20	HKED	
CN(C(=O)Cc1c(F)cccc1C#N)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	518828617	NTLZFEQECQKFAC-QGZVFWFLSA-N	418.312	5.021	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(F)c1)c1nc2cc(Cl)ccc2s1	519317951	OXPRTMATFKMPGJ-JTQLQIEISA-N	409.667	5.341	30	20	HKED	
CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)CC1	520197294	BYGAHDRCJKMZQO-PMACEKPBSA-N	414.619	5.057	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Cc2ccc(F)cc2)CC1	520941532	QLNOEVTWLJMRBH-KRWDZBQOSA-N	411.546	5.707	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2sccc2[C@H]1C	524442496	NJBHKBHGCRFSPP-QGZVFWFLSA-N	417.534	5.658	30	20	HKED	
CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	524519223	GDUJNLSNBGWDFQ-LBPRGKRZSA-N	416.852	5.002	30	20	HKED	
COc1ccccc1N(C(C)=O)c1nc(CSc2ccc(C#N)cc2F)cs1	525504003	VKYNIJBZPKEZNO-UHFFFAOYSA-N	413.499	5.139	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c(F)c1	531022520	POQFNXULYLZTNY-UHFFFAOYSA-N	423.366	5.155	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(Oc4ccccc4)cn3)n2)cc1	536933597	FOYJXTXFAWIUSA-SFHVURJKSA-N	412.474	5.191	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	538824735	HIIHXGATQHOHIS-UHFFFAOYSA-N	401.253	5.123	30	20	HKED	
CC[C@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1nc(C)cs1	541628269	JXVZIIUSIPONED-FQEVSTJZSA-N	407.539	5.152	30	20	HKED	
COCCc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543033867	QWVPANPSQFCJPV-DLBZAZTESA-N	405.567	5.591	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1	543890033	JAYVOUACUDRNRR-ZWKOTPCHSA-N	401.514	5.124	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@H](C)c1nc(-c2ccccc2)cs1	544486126	JLWFERJNBZHURT-MRXNPFEDSA-N	409.580	5.378	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	546795521	YDNHNIXDGCMVEP-SFHVURJKSA-N	408.567	5.875	30	20	HKED	
CC(=O)N(c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1)c1cccc(C)c1C	549161339	CMLDJRBCOVCKRM-KRWDZBQOSA-N	404.539	5.167	30	20	HKED	
CC(C)(C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc(C#N)c1	552564526	NEPQKERROCHZPB-RHDGDCLCSA-N	404.407	5.056	30	20	HKED	
COc1cc(CN[C@@H](C)c2cc(F)ccc2OC)ccc1OCc1cccc(C#N)c1	552919702	FXMBVSQWZRQQLN-KRWDZBQOSA-N	420.484	5.144	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)NCC(C)(C)CCC#N)cc1Cl)C1CCCCC1	554147220	RJPKXELQWKRLMX-UHFFFAOYSA-N	418.969	5.196	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ncsc2C(F)(F)F)cc1	554969865	AAJFWCWPMKDCNI-UHFFFAOYSA-N	419.384	5.087	30	20	HKED	
C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	556559381	NEJZPWUQKFHRIL-SECBINFHSA-N	414.214	5.038	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)cs1	557203510	IWAPDPOHVDLEFM-UHFFFAOYSA-N	405.548	5.035	30	20	HKED	
C=CCN1C(=O)N(c2ccc(-c3ccc(Cl)s3)nc2)C(=O)[C@H]1Cc1ccccc1	561054907	KPDNLRFNMGIDMW-GOSISDBHSA-N	423.925	5.029	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2ccc(SCc3csc(C)n3)cc2)cc1	561863167	DWNZHFQLIGWQJO-OAQYLSRUSA-N	407.564	5.301	30	20	HKED	
CC(C)(C#N)c1ccccc1CNC1(c2cccc(C(F)(F)F)c2)CCOCC1	562594000	CEVZZEBPJFQLKY-UHFFFAOYSA-N	402.460	5.302	30	20	HKED	
CC[C@@H](NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1	580087762	ABUMJDLSSPDBRE-HHHXNRCGSA-N	406.533	5.711	30	20	HKED	
CC[C@H](NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1	580087763	ABUMJDLSSPDBRE-MHZLTWQESA-N	406.533	5.711	30	20	HKED	
CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1)C1CC1	587988690	GLSBIIRGSYPWTH-GOSISDBHSA-N	409.942	5.424	30	20	HKED	
C=CCN1CCC(NC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1	592765378	JPVQVZSNIDOQOL-NRFANRHFSA-N	418.965	5.079	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	601186418	OZSYUPQXGYKMID-UHFFFAOYSA-N	409.411	5.164	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1cccc(C#N)c1	603645313	DVQVEPAXGTZSDZ-UHFFFAOYSA-N	421.522	5.261	30	20	HKED	
CCn1nc(C(C)C)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604027165	LAAQYTLHAFGGRA-UHFFFAOYSA-N	408.889	5.596	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1	605079758	ISLYNUFVIGVUOG-UHFFFAOYSA-N	418.925	5.073	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	606548734	QWRXEQLQVSHAMI-LJQANCHMSA-N	402.519	5.178	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2ccc3ccccc3c2)n1	608867536	YTLLTIZTRLEIOB-UHFFFAOYSA-N	422.488	5.062	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1	609371772	WYHFIFPVNRHHGV-HNNXBMFYSA-N	408.552	5.202	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1	609434714	KIUCSINYNNHFIZ-CQSZACIVSA-N	407.461	5.764	30	20	HKED	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	609436724	DEZKCAMSLFDNBP-CQSZACIVSA-N	422.381	6.442	30	20	HKED	
C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1c(Cl)cccc1Cl	609579697	ODOLVQARAQTBAV-LBPRGKRZSA-N	415.242	5.560	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)sc2c1	609588806	VCNVQUNRWFMTRE-AWEZNQCLSA-N	419.731	5.620	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	609970820	LDWBEWWCOVFPCF-HUUCEWRRSA-N	406.473	6.232	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	610142715	LDDVYSXOOLKLLY-WOJBJXKFSA-N	422.598	5.067	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)c1ccccc1C(F)(F)F	610240104	XRWFDJQSGAZGLP-BMIGLBTASA-N	401.215	5.497	30	20	HKED	
N#Cc1c[nH]c2ccc(Cl)cc2c1=NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	610246214	QSBQKJFSUFQSFZ-GHMZBOCLSA-N	421.772	5.503	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(C4CC4)nc4ccc(F)cc34)cn2)cc1	610290586	FFWDKJOGZYMKQQ-UHFFFAOYSA-N	424.435	5.563	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1	611386027	ARADKDOBXSPWGJ-AWEZNQCLSA-N	410.930	5.204	30	20	HKED	
CC(=O)N(c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1C	611389342	STYXECJRZYVPOR-SFHVURJKSA-N	418.566	5.475	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2Br)cc2ccccc21	611474632	WLYDORWXNIPSRT-UHFFFAOYSA-N	422.204	5.198	30	20	HKED	
C[C@@H](NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2cccc(C#N)c2)cc1	611807231	YTDMKEVRRXTPAO-MRXNPFEDSA-N	414.896	5.779	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4nc(C)cc4C)cc3)n2)cc1	612894856	RCSIEIFNDCFVJD-NRFANRHFSA-N	412.518	5.411	30	20	HKED	
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1	614439814	LKPWKOZLZJCXHF-HXUWFJFHSA-N	418.456	5.479	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(COCc2ccccc2)c1	615668424	SWBZMFZGZVPMHG-UHFFFAOYSA-N	418.512	5.440	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	678919425	CFLAOEMRQYDZKQ-CQSZACIVSA-N	420.460	5.671	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1	682777226	IJTCKFBQHUYPFS-WIOPSUGQSA-N	406.570	6.170	30	20	HKED	
Clc1cccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)c1	725855781	GOAZHOCYVUVWKQ-UHFFFAOYSA-N	424.895	5.333	30	20	HKED	
Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c2c1	726329633	VFGJNXKTFHJKJZ-OAHLLOKOSA-N	407.445	5.297	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1	726445769	ZIFXPXCZMKCCTP-UHFFFAOYSA-N	422.557	5.349	30	20	HKED	
COc1cc([C@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OC(C)C	726459478	KQIJWOWHWXZXCU-ZDUSSCGKSA-N	403.935	5.055	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=S)Nc1ccc(C#N)c(Cl)c1	726468732	GUBXZKITGGKBJS-UHFFFAOYSA-N	412.773	6.126	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cn(C)c4ccccc34)c2)cc1	726740694	ORXWUELMKVBZBG-GDNBJRDFSA-N	410.473	5.335	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)s2)cc1	726911036	FPEYECFLVLQILG-JOCHJYFZSA-N	417.534	5.245	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	727627885	IVDHZDLTQJQKRI-AWEZNQCLSA-N	423.341	5.139	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)/C=C\c1cccc(OC2CCCC2)c1	727665357	KAAAYEQBIKSCID-NXVVXOECSA-N	411.505	5.157	30	20	HKED	
N#C[C@H](NC(=O)/C=C\c1ccc(Cl)s1)c1ccc(OCc2ccccc2)cc1	729369490	GMEPSSPJHOJYSM-ZQGDAAQZSA-N	408.910	5.375	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2o1	730689264	CYQSNQGIYJLPSB-AOMKIAJQSA-N	404.372	5.103	30	20	HKED	
COc1cc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)cc(Br)c1O	732570591	DVXHTTHHZAIUPP-BQYQJAHWSA-N	416.296	5.183	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(OC(C)C)cc1	733079623	GJRIEYJVDZCULR-UHFFFAOYSA-N	415.419	5.181	30	20	HKED	
CC[C@@H](OC1CCCC1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	733679477	IWMYDLACTZXXIZ-MAUKXSAKSA-N	423.365	6.031	30	20	HKED	
O=S(=O)(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(F)cc1Cl	734154230	WXKGUZYESCHDDX-CQSZACIVSA-N	417.207	5.011	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1	735396058	LOISPFZUYSXBNI-GDBMZVCRSA-N	413.340	5.504	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(OC3CCCCC3)cc2)ccc1OC	735441823	XTRAGOMMLWIJTB-HXUWFJFHSA-N	422.525	5.018	30	20	HKED	
CC(=NOCc1nc(-c2cc(Br)cs2)no1)c1cc2ccccc2o1	736297183	RGMVSNZNUDPABN-UHFFFAOYSA-N	418.272	5.248	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(CC)[C@H](CC)c2ccncc2)c1=S	739888722	VFIQCDMMODWDDL-HXUWFJFHSA-N	411.550	5.232	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2ccsc2c1	744027997	GLAKXXONMHMGJQ-KRWDZBQOSA-N	413.458	5.050	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccoc1C	745956471	BHYJWBQRKKULTG-HNNXBMFYSA-N	407.499	5.244	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2[C@H](CC)c2ccccc2)c1=S	746713230	STJFHVOXLOZCLY-FGZHOGPDSA-N	419.598	5.278	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1	747108843	KSCOJJYFCIRAKV-JOYOIKCWSA-N	413.663	5.237	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc(C(C)C)cs1	747194386	ZFYYDCNJIQQJOX-HOCLYGCPSA-N	405.361	5.474	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2	747441074	RAVMPMMGDOJABH-GZTJUZNOSA-N	403.865	5.423	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Cl)c1	750683680	ICFNRWNSILZNAX-XLNAKTSKSA-N	420.868	5.406	30	20	HKED	
N#Cc1csc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)c1	752282462	UABZOTHPZCDBMO-UHFFFAOYSA-N	413.842	5.013	30	20	HKED	
CC[C@H](C)c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	756223856	HHWJLAYBYCNAHX-GUYCJALGSA-N	405.523	5.279	30	20	HKED	
N#Cc1cc(F)c(C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1	756588954	IKIKZEDEYBXTNS-UHFFFAOYSA-N	424.350	5.336	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1cc2ccccc2s1	758244256	YQQLNPDZSZNFLM-RHSMWYFYSA-N	411.552	5.151	30	20	HKED	
N#CCOc1cccc(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)c1	764996116	ZQSTZZUOJIQHLE-UHFFFAOYSA-N	412.873	5.785	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nc1Cl	766840828	JOPIAMDTSUNFHH-LBPRGKRZSA-N	404.278	5.011	30	20	HKED	
CCc1nn(C)c(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	767256182	WMPWLDWHSPHXAO-INIZCTEOSA-N	413.308	5.197	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1	770420989	MQYIGZKERNAJIG-UHFFFAOYSA-N	414.509	5.342	30	20	HKED	
COc1ccc(CN(C(=S)Nc2ccccc2C#N)[C@H]2CCCC[C@@H]2C)cc1OC	771542440	XTXCFHNORRWWSY-UWJYYQICSA-N	423.582	5.353	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1	772034541	VPZNMTJLACUBCH-GIVPXCGWSA-N	415.578	5.029	30	20	HKED	
CCOc1ccc(-c2nc(CON=Cc3ccc(Br)cc3)co2)cc1	772877765	XLWSBYJBVAWCFD-UHFFFAOYSA-N	401.260	5.054	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3cc(Cl)c(N)c(Cl)c3)c(Cl)nc21	773160828	PIVOOUJOLLGDSP-ARJAWSKDSA-N	409.704	5.451	30	20	HKED	
C#CCCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	773314856	QWTDQYWUOVHNNF-ZDUSSCGKSA-N	405.361	5.252	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc2c1	775493807	AFSNASGPYKEYFV-INIZCTEOSA-N	420.683	5.198	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)ncc1Cl	779583324	IUHAHENUPDBMHH-UHFFFAOYSA-N	406.132	5.041	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ccc(N4CCCC4)nc3)cc2Cl)c1	779595025	CDISPRQLCJTACM-UHFFFAOYSA-N	418.928	5.398	30	20	HKED	
Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)cn1	782235531	WGPGJXVTJUPNEG-QHCPKHFHSA-N	410.452	5.134	30	20	HKED	
Cc1cccnc1C(F)(F)C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783928732	ROPBXEFGNVBNRQ-CYBMUJFWSA-N	413.264	5.347	30	20	HKED	
O=C(OCC1(F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	789587029	OGJMAGIAGPEZBC-MWENRILCSA-N	402.350	5.154	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cc(Br)c(Cl)s2)cc1NC(C)=O	790216331	RDNNGDLUPORTLQ-PLNGDYQASA-N	414.708	5.027	30	20	HKED	
Cc1cc(C)c2cccc(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2n1	792734851	KZKAJUKCSLFPQI-QGZVFWFLSA-N	405.523	5.263	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCC2(C)CCCC2)cs1	793083755	GNNBPUGQLWLBGQ-UHFFFAOYSA-N	424.492	5.350	30	20	HKED	
C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1coc2cc(F)ccc12)c1ccc(Cl)cc1Cl	796892180	IXDJGNBLKVWOIG-BMIGLBTASA-N	419.239	5.079	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccccc1O[C@H](C)C#N	797479231	YDIMEFMHXGKOCN-LLVKDONJSA-N	416.264	5.500	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C	798032834	WDXNYOFPAZKCMV-UHFFFAOYSA-N	420.494	5.095	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	802043143	RISJPWNUJMCBKS-JTSKRJEESA-N	412.489	5.130	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C[C@H](C)c2ccc(F)c(Br)c2)n1	813073040	RJQYKFCEMAIPSX-AAEUAGOBSA-N	409.324	5.538	30	20	HKED	
COc1ccccc1-c1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1	904267066	HIGLSRXUKKDJHK-UHFFFAOYSA-N	420.284	5.702	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](CC)c2ccccc2OC)cc1OC	915228567	GZBNZRCSBOCCFN-SFHVURJKSA-N	420.347	5.272	30	20	HKED	
CCOc1ccc(-c2csc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)n2)cc1	916405587	GGMAUTBVADAHFQ-UHFFFAOYSA-N	418.478	5.025	30	20	HKED	
Cc1cc(CC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1	916844415	HMSJWYYOQOSTNC-LJQANCHMSA-N	402.885	5.043	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2ccc(Cl)cc12	916927046	DHXLTYKTGRFXBN-CYBMUJFWSA-N	421.667	5.663	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2cc(C)ccc2C)cc1	916954631	JMUXLEPSUYVDHP-VGSWGCGISA-N	404.510	5.127	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccs3)cc2)CCC1	1788165762	ZDBPZUDZVDMXSB-ZHACJKMWSA-N	416.493	5.107	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C(C)(C)CC(=C)C)cc2)CCC1	1789624308	WHFJINHBHMBORJ-UHFFFAOYSA-N	412.574	5.096	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)C1	1823702938	GCTWLNXIHPKBRX-SSPYTLHUSA-N	414.634	5.035	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826268646	JSXSXNCWGYHBQC-BJKOFHAPSA-N	414.634	5.345	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccccc2F)cc1OCc1ccc([N+](=O)[O-])cc1	8053964	TVFPWWYDFIDPPZ-XYOKQWHBSA-N	407.397	5.218	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(CC)cc2)cc1	11168947	GBGANJHIRUOVEY-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	31817355	PFGYTEQIUNJWQI-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1	32059440	BXZXOIRNTOZKAM-UHFFFAOYSA-N	408.498	5.276	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2ccccc2s1	41504089	XLRWCZRKCHVOPX-LBPRGKRZSA-N	401.472	5.656	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3ccccc3)CC2)cc1	48161688	CNSVTDGILBGGIK-UHFFFAOYSA-N	411.505	5.185	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCOc1ccc(F)cc1	60206525	LGQQKRVJKMVYMC-UHFFFAOYSA-N	406.482	5.047	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	62393116	GLPHACJELTVDSL-UHFFFAOYSA-N	413.521	5.510	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccccc1Cl	63641512	SIYWPUYZYAZVRX-INIZCTEOSA-N	405.885	5.752	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1	109386697	OGGRDNNYBPDIRL-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc21	195743386	ILOZFHDEXCYNBY-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
CC[C@@H](C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	255949593	MQXGVOKBTGUARJ-DNVCBOLYSA-N	422.579	5.470	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSCC(=O)c1ccccc1	303023845	NPMZYAFRWRXIJX-UHFFFAOYSA-N	416.502	5.214	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2ccc(OC)c(Br)c2)cc1Cl	303161222	HQNMHAROIFPPAK-ZDUSSCGKSA-N	410.739	5.527	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1	303936261	XXBSSQWOPDFHNT-CABCVRRESA-N	406.473	6.089	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc1	429730347	ZWEGFRPLKDQQRQ-UHFFFAOYSA-N	420.435	5.478	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C	431367301	BVLQODIUXSQOSM-IERDGZPVSA-N	423.582	5.089	30	20	HKED	
Cc1c(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)sc2ccc(C#N)cc12	431671692	UXYNWYOAZLSWLG-GFCCVEGCSA-N	410.449	5.317	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	431677904	XVISXVBEEORHDV-HKUYNNGSSA-N	418.006	5.152	30	20	HKED	
CC(C)c1[nH]nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-]	434227568	KGJZHPPXKLSTEV-MRXNPFEDSA-N	423.860	5.002	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1C#N	435555465	YDZPCEJVCMNBBT-GOSISDBHSA-N	406.511	5.324	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1	437831692	CKRTWGPNIQSMET-HYBUGGRVSA-N	417.553	5.158	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]1Cc1ccccc1	443849200	BOCVCOZIKJIZCM-HSZRJFAPSA-N	411.505	5.295	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)CC2)cc1	444021094	HQPVSQJZSABGRV-UHFFFAOYSA-N	415.880	5.134	30	20	HKED	
C=CCN(C(=O)c1cccc2ccsc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	464556919	LYGVTILSAGYTBX-UHFFFAOYSA-N	421.503	5.766	30	20	HKED	
C=CCC(CC=C)C(=O)N(CC)[C@@H](c1ccc(Br)cc1)c1cccnc1	467538447	VMCQMCDSEGEAKK-NRFANRHFSA-N	413.359	5.550	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)c(F)c1C	468119547	IMTNDQYDXMKLFZ-UHFFFAOYSA-N	422.300	5.382	30	20	HKED	
CN(Cc1cnn(CC(F)(F)F)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	468542074	JMWMLVNNWPJDCH-ZDUSSCGKSA-N	419.291	5.200	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(-c2nc(C3CC3)no2)c1	472837513	UMNJCJDSRXWSOZ-UHFFFAOYSA-N	415.497	5.237	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	473944830	MFWFIYQDKCBWKE-OAHLLOKOSA-N	415.312	5.336	30	20	HKED	
Cc1sc([C@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)nc1-c1ccc(Cl)cc1	473949931	KFTZGVUKUZCRJN-AWEZNQCLSA-N	421.953	5.553	30	20	HKED	
Cc1occc1C(=O)Nc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1F	474911509	PHXZQXPVAHULAV-QGZVFWFLSA-N	405.429	5.006	30	20	HKED	
C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@@H](C)c1nc2ccccc2s1	475089364	GUWPTJCRKIDBHI-JLJREYHVSA-N	406.555	5.035	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)C[C@H](CC#N)c2ccccc2)cc1	475898233	HSZAKRVUKZVKAJ-IGKIAQTJSA-N	411.549	5.669	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)o1	480207837	GSTSUBTXJZFZLG-MRXNPFEDSA-N	407.392	5.160	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(Cc2ccc(F)cc2F)c1C	480525813	HMVCDXXZKCZRCJ-UHFFFAOYSA-N	410.468	5.017	30	20	HKED	
Cc1c(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)sc2ccc(C#N)cc12	481481323	NXLOWPNRVKRIQU-INIZCTEOSA-N	421.591	5.437	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	481625917	MVQAQUNSVOYYOU-GOSISDBHSA-N	417.484	5.810	30	20	HKED	
C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481682008	DSGLVNUZPLAQLV-KRWDZBQOSA-N	403.457	5.501	30	20	HKED	
C=CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc2c(s1)CCCC2	482174092	AEKWYJUURDSBLV-UHFFFAOYSA-N	415.518	5.519	30	20	HKED	
N#Cc1cc(Cl)ccc1CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1	484546791	OVHDQUUSJOIODM-QFIPXVFZSA-N	404.876	5.232	30	20	HKED	
C[C@@H](C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(F)c(F)c1	493506910	OJVSBENXPJKFGN-PSLIRLAXSA-N	409.301	5.090	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1cccc(Cl)c1Cl	497840995	CKJPCNUBHNEXFA-OAHLLOKOSA-N	409.361	5.620	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1csc(C(C)(C)C)n1	499900243	RCEAQDYYAYDEFY-AWEZNQCLSA-N	402.589	5.057	30	20	HKED	
N#C[C@@H](C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	505440122	MMKFKKOFVJGICP-QUCCMNQESA-N	422.937	5.848	30	20	HKED	
CCN(Cc1nc(O)c2c(-c3ccccc3)csc2n1)[C@@H](C)c1ccc(C#N)cc1	505791905	ZEQDKGIGUFHDMT-INIZCTEOSA-N	414.534	5.519	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1	509339745	DFFUIKHHWCLSTO-LJQANCHMSA-N	408.395	5.056	30	20	HKED	
CCN(C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1)[C@@H](C)c1ccc(C#N)cc1	509573643	GEUWJPMEXMFFTL-FQEVSTJZSA-N	413.521	5.372	30	20	HKED	
C=C(C)CN(CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1cnn(C(C)C)c1	512507204	WABFJPNJLSWRSH-UHFFFAOYSA-N	409.361	5.178	30	20	HKED	
Cc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C	514578207	BNCRKDLCSBOEJL-UHFFFAOYSA-N	415.440	5.494	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)o1	515453558	FACPVVICIRHMIY-HXUWFJFHSA-N	406.869	5.361	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c(C)c2c1	517349932	XQNLTTHXUCEVDG-KRWDZBQOSA-N	405.498	5.303	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CCc3ccc(F)cc32)cc1OCC	517561433	MSGGLDOGYJOSBT-IBGZPJMESA-N	420.322	5.329	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(=O)c2ccccc2)CC1	518169072	MMXNBVYDDSSOBW-KRWDZBQOSA-N	407.539	5.065	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1	518666559	FAEBIWOVCVIMCG-ZIAGYGMSSA-N	407.461	5.396	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	518755813	OABRODDRCKZXQH-KRWDZBQOSA-N	420.538	5.028	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccc(C#N)cc1	518829314	OUUDLINGKOIWRA-OAHLLOKOSA-N	405.477	5.063	30	20	HKED	
N#CCCN(CCC#N)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	519283069	LJTZDXWUAPMNIC-UHFFFAOYSA-N	418.349	5.555	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	520324519	BMDJAISMRSSQPG-UHFFFAOYSA-N	411.461	5.326	30	20	HKED	
CCCN(CC)c1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	521049924	CPVCBUSECWFECX-UHFFFAOYSA-N	414.509	5.543	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1	521326712	CZKYVDMCMHJCGS-SFHVURJKSA-N	418.587	6.625	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)oc12	521416604	IRRVQGXEXPVHMY-QGZVFWFLSA-N	405.498	5.384	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	521495442	ZTXLZSKKAAJZQE-UHFFFAOYSA-N	402.498	5.001	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1	521734439	OJLIIHOYNCYXJA-MRXNPFEDSA-N	402.523	5.254	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)NCc2ccc(C#N)cc2)C(C)C)s1	523005435	WITJEKLMTASGHU-UHFFFAOYSA-N	403.551	5.715	30	20	HKED	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1occc1COc1cccc(C#N)c1	523847334	VMXHNYOSUHYLGK-FQEVSTJZSA-N	408.885	5.135	30	20	HKED	
C=CCN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc2c(s1)CCCC2	523864785	CCAQMZKQKNWECI-UHFFFAOYSA-N	417.506	5.256	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc(-c2ccccc2)oc1C	524389466	HYESSHHFDSYUOV-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C1CC1	535533986	PXSHEDDOXWPRKL-INIZCTEOSA-N	400.482	5.648	30	20	HKED	
N#CCCn1ccc(NC(=O)N[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)n1	539010789	OSBZPUHUUNOPII-WMZOPIPTSA-N	419.451	5.054	30	20	HKED	
CCN(C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)c1ccc(C#N)c(Cl)c1	539174545	ZFMWXWGPRAJPKW-UHFFFAOYSA-N	423.847	5.815	30	20	HKED	
C=CCCOCCCCC(=O)N(c1nc2ccccc2s1)c1ccc(C)cc1C	539501843	ADGIEMWZBRPYBP-UHFFFAOYSA-N	408.567	6.341	30	20	HKED	
Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)cn1	541079273	ZUQZJCVWEOPBHI-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1ccc(SCc2ccccc2)cc1	541372144	NJQTZOMBOHEZDT-UHFFFAOYSA-N	418.518	5.128	30	20	HKED	
Cc1ccc([C@@H]2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)C2)cc1	541506180	STVPISACUDABJR-HSZRJFAPSA-N	412.537	5.019	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4cccc(CN5CCCC5)c4)no3)cc2)nc1	547091683	LHYDJXJAUQQWSH-UHFFFAOYSA-N	423.476	5.058	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)c2)c1	551105317	AMTBXMGFDSQJAD-SFTDATJTSA-N	415.880	5.206	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC(c3ccc(F)cc3C)CC2)c1C#N	552625802	SEXXMQUKYZLJGG-UHFFFAOYSA-N	409.530	5.020	30	20	HKED	
Cc1cc2cc[nH]c2cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	553187364	BJOWSOLJSGLXPM-UHFFFAOYSA-N	406.917	5.247	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1ccc(Cl)cc1	556521471	STJOCGISEQXMOD-HNNXBMFYSA-N	401.963	5.198	30	20	HKED	
C[C@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)N(CCC#N)c1ccccc1	556961091	INSIQLMETZAGAT-KGLIPLIRSA-N	408.304	5.118	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1	558370142	FKIGYPFUNLQLDG-HUUCEWRRSA-N	421.488	5.710	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1	559454622	BRJICVRLFIUVGL-UHFFFAOYSA-N	408.914	5.092	30	20	HKED	
CC(C)(c1cc(F)cc(C#N)c1)c1nc(Cc2csc(-c3ccccc3)n2)no1	564210455	UYYTZHVODOAHAZ-UHFFFAOYSA-N	404.470	5.121	30	20	HKED	
C[C@@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F	573008870	FMBYELPSIPWYCC-MRVPVSSYSA-N	419.300	5.219	30	20	HKED	
Cc1sc(NC(=O)COc2ccc3ccccc3c2Br)c(C#N)c1C	594763236	YQPLBSRNJMUVNS-UHFFFAOYSA-N	415.312	5.170	30	20	HKED	
N#Cc1ccc(OCCNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)cc1	604007840	MAVDASSEMSSEGZ-UHFFFAOYSA-N	409.848	5.094	30	20	HKED	
O=C(Nc1cccc(CC(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608334619	AZFUFDSXBZPJKR-GHMZBOCLSA-N	422.291	5.386	30	20	HKED	
N#CCn1c(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc2ccccc21	609160935	RIZMCYLAXNGDQY-NRFANRHFSA-N	403.532	5.076	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)cc1	609297740	BTDYMYJKIVHCMM-GOSISDBHSA-N	413.452	5.119	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccc(F)c(F)c1	609389253	GPWGLXCXLLGKKQ-KBPBESRZSA-N	406.523	5.792	30	20	HKED	
CC(C)CN(CCc1ccc(F)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	609398344	VJTBHNWBZZRHLP-SFHVURJKSA-N	413.562	5.810	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1csc(Br)c1	609438074	AYCQTAPAVZUIFP-GFCCVEGCSA-N	424.389	5.569	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2ccc3ccccc3n2)c1	609727742	WDIGFZBTMRMBQY-UHFFFAOYSA-N	413.864	5.482	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3ccccc3F)CC2)cc1	609864159	LGXNRKAVNDJKLD-UHFFFAOYSA-N	414.480	5.296	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	610017279	NGWUTZHSMZBXOV-LJQANCHMSA-N	413.477	5.381	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1-c1ccccn1	611111168	YPUDYYOYLFSEED-UHFFFAOYSA-N	422.444	5.068	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)nc2ccccc21	611211876	CCJBCVRLGQHJIM-KRWDZBQOSA-N	420.494	5.006	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)C1	612321255	UHYKLMVDMFKOST-OAHLLOKOSA-N	410.223	5.092	30	20	HKED	
N#C[C@@]1(F)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CCC3)C1	615661533	IECFITXPDPIEAP-LXGWOEDASA-N	417.509	5.251	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1	618815794	RCHQUPLTNLNDSD-MZNJEOGPSA-N	411.505	5.282	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](NCc2ccc(C#N)c(Cl)c2)CCC3)cc1	619754563	DEMUNPOQQBJSOS-IBGZPJMESA-N	409.942	5.511	30	20	HKED	
O=C(CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683195607	KYIMROAGMYYEOZ-ILVOLAIISA-N	415.393	5.274	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccc(C)cc3)n2)nnc1-c1ccco1	685351069	PNZIGPSJTADHRP-UHFFFAOYSA-N	409.540	5.525	30	20	HKED	
COc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CCC2)cc1	726322396	SVSPPUSUVHGVPD-LJQANCHMSA-N	422.937	5.770	30	20	HKED	
CCCCCN(Cc1ccc(Cl)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726445244	NMJPKOIDYIXPKQ-UHFFFAOYSA-N	406.382	6.254	30	20	HKED	
CC(C)C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1cccc(C(F)(F)F)c1	727844630	CSARHENUFBAFBF-HXUWFJFHSA-N	419.447	5.194	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1OC	729430416	WFOWMBNXUDOCSB-CYBMUJFWSA-N	421.305	5.220	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)CC2CCC(c3ccccc3)CC2)ccc1OC	733228767	PKIVSOUEAOIEFJ-ZUEZHPSSSA-N	420.553	5.356	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)c1	733771323	RXGJRNOUPCBYCT-CZUORRHYSA-N	423.365	5.471	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4CCCCC4)c3)c2)s1	740443047	IWLSZGLODZCXDP-UHFFFAOYSA-N	416.550	5.599	30	20	HKED	
CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cc3cc(F)ccc3o2)cc1	741757568	CAGVEGDMCBDERZ-UHFFFAOYSA-N	424.501	5.211	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)s1	744036748	HYUUJGXZEIYTEW-DGCLKSJQSA-N	417.353	5.614	30	20	HKED	
C=CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)C(C)C	744805829	FMHKKSPKULJEMG-UHFFFAOYSA-N	411.933	5.248	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cs1	746346302	OUICDHNFPLMCFN-XFXZXTDPSA-N	422.554	5.426	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)n1	749042166	XHTFGTMWYYOQEE-NPYXIHBLSA-N	417.575	5.011	30	20	HKED	
N#Cc1ccccc1N1CCC(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)CC1	749531547	WFIZRLAKKGKAHY-VWLOTQADSA-N	423.560	5.060	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C[C@@H](C)c3ccccc3C2=O)cs1	751537763	ZOOHUDMHIYSATH-RGHBXIHOSA-N	422.937	6.255	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1	752210867	QXKVXYHKYLWLPN-QHCPKHFHSA-N	417.896	6.291	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	752375559	BNYMSMSFWZQYNJ-UHFFFAOYSA-N	404.426	5.037	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@H](C)C(C)(C)C#N)c(OC)c1	753629469	TWJZGOLEGRANGT-MRXNPFEDSA-N	420.509	5.266	30	20	HKED	
N#C[C@@H](C(=O)CCCc1csc2ccccc12)c1nc2ccccc2n1C(F)F	756243358	RJLFAERKALEBPD-INIZCTEOSA-N	409.461	5.845	30	20	HKED	
N#C[C@@H](COC(=O)CCC(=O)c1cc(Cl)sc1Cl)Cc1ccc(F)cc1	756255487	HFGKIQJZHPPJSY-LBPRGKRZSA-N	414.285	5.083	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1ccnc(Cl)c1	757935451	ABBAEAQGPKDUKC-YVMONPNESA-N	403.869	5.146	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C(F)F	758409065	HANIKILBHHFHLP-LJQANCHMSA-N	408.452	5.384	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2c[nH]c3ncccc23)cs1	761810193	QZPZNDBEWLAIGW-RMKNXTFCSA-N	422.897	5.254	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccncc2)cc1F)c1cc(Br)ncc1F	762419623	BEQICWOKEWXJMH-ARJAWSKDSA-N	401.210	5.080	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C(C)C	766335753	IJGWPKOMVFQDMC-JOCHJYFZSA-N	415.541	5.962	30	20	HKED	
CCCN(Cc1ccc(O[C@@H](C)C#N)cc1)Cc1nnc(-c2ccccc2Cl)o1	768187329	TUAVIUZOLSNKPX-INIZCTEOSA-N	410.905	5.093	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3ccc(Cl)cc32)ccc1OC	772986623	PNPBOVFCGLWSHG-HKUYNNGSSA-N	400.906	5.033	30	20	HKED	
CCOc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1	776167700	HCDXAMBTTMHEAO-CJAUYULYSA-N	420.940	6.081	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1cccc(Cl)c1Cl	779628159	RRAKIBMZJNNLTB-LLVKDONJSA-N	408.594	5.055	30	20	HKED	
Cc1cccn2cc(COc3ccc(CNc4ccccc4O[C@@H](C)C#N)cc3)nc12	779993919	PBJKPJZRDDJOBM-IBGZPJMESA-N	412.493	5.125	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(Br)n1	782488640	ZEZMQWSFMGHHOE-HNNXBMFYSA-N	420.310	5.182	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1	783739095	USXGCIRXUADMEV-GFCCVEGCSA-N	411.474	5.788	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	786907314	JDYRTGVMCIPZQO-OALUTQOASA-N	410.521	5.167	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1	789450719	PLKXTXRZAJFFKU-UHFFFAOYSA-N	415.578	5.307	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)c1=S	789475890	BEYSBTOJLVDRTL-LPHOPBHVSA-N	423.413	5.049	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(C(F)(F)F)cnc1Cl	790974185	VJBHOELCZCRRKL-LBPRGKRZSA-N	414.708	5.316	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1nc(O)c2c3c(sc2n1)CCCC3	796752819	JUIQAPURYXDOKN-JYYAWHABSA-N	409.555	5.058	30	20	HKED	
CCc1ccc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1	796793944	QYKCZZCVPVWXGP-CQSZACIVSA-N	401.249	5.263	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	804458837	HTJLEESXCATTAQ-NJYVYQBISA-N	400.547	5.097	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	812987274	IWHMHGXBABDOEY-SNVBAGLBSA-N	410.282	5.548	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(CC[C@@H](O)c3ccccc3)cc2)c1	864036907	IEVPFJJQMMVJFS-HSZRJFAPSA-N	421.338	5.599	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cc3ccccc3nc2Cl)cc1	916546536	XBPIKJDSZLYZRJ-UHFFFAOYSA-N	414.321	5.308	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3s2)c1C	916846170	JLUIPJJOUJHVBE-INIZCTEOSA-N	418.547	5.067	30	20	HKED	
C[C@@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)csc2C1	916884447	XWMBTVMCDLVRTC-ABAIWWIYSA-N	420.506	5.149	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCOc2ccc(Cl)cc2Cl)cc1	916913191	OACZYBAVFQQXMJ-KRWDZBQOSA-N	419.308	5.062	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(Cl)c3)n2)cc1	916975193	WBLHEWXJWCOLBQ-HNNXBMFYSA-N	417.317	5.681	30	20	HKED	
N#C[C@H](C(=O)CSc1ccncc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995224	CMFOOYJUKDBOJN-CQSZACIVSA-N	420.346	5.480	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996074	JVSKOKWFMAPMFX-YVARQFDVSA-N	405.331	6.068	30	20	HKED	
N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1	917025792	PDUULAGLWRILDQ-GOSISDBHSA-N	412.967	6.212	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1	917026184	AEAIHJWVTALEEL-INIZCTEOSA-N	401.318	5.926	30	20	HKED	
Cc1cc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1Cl	920266078	XDMXGCFFLGCMOT-KRWDZBQOSA-N	411.914	5.202	30	20	HKED	
CC(=NOCc1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F	920759903	KIFAPTOCBAFSSK-UHFFFAOYSA-N	416.428	5.635	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1	1787389408	LFOALLBGGSDKOI-UHFFFAOYSA-N	406.526	5.047	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1	1788880192	ZOPLLHCIQZOQSY-UHFFFAOYSA-N	414.933	5.673	30	20	HKED	
COc1ccc(CSc2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)s2)cc1	7441239	GBWDBRDOYUKLMD-GOSISDBHSA-N	413.593	5.374	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)cc1	22730939	NDEVFXUFHHGOIY-UHFFFAOYSA-O	423.627	6.001	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(CC)cc2)cc1	22730984	JFQGZEFTHALRHP-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
N#C[C@H](C(=O)c1cc(C2CC2)[nH]n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	41537851	OSAUYQYIYFJDIM-GFCCVEGCSA-N	403.294	5.207	30	20	HKED	
N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C(F)(F)F)cn1	47371831	GLQCYFYWJSDFNF-LJQANCHMSA-N	419.406	5.593	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c(ccc4ccccc43)[nH]2)cc1	65870041	RVURKOXINUQUEC-UHFFFAOYSA-N	409.489	5.388	30	20	HKED	
COc1cc(C(=O)/C=C\c2cccc(OC)c2OC(C)C)ccc1SC(F)F	214926919	IZALBGPAPWSVEO-NTMALXAHSA-N	408.466	5.702	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F	430906275	JPSMQNYMDRUDHK-QFIPXVFZSA-N	423.488	5.227	30	20	HKED	
N#Cc1cnc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c(Cl)c1	431590402	RXDYJIPOJGNQMS-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
N#CCCn1cc(CN2C[C@@H](c3ccccc3)c3ccccc32)c(-c2ccncc2)n1	434985540	BJUXVZDHZXHDGG-DEOSSOPVSA-N	405.505	5.011	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@H](C)c1ccc(C#N)cc1	436071165	XINYUGYLDXAYGP-LLVKDONJSA-N	400.265	5.320	30	20	HKED	
C=CCn1c(S[C@H](Cc2ccc(Cl)cc2F)C(C)=O)nnc1-c1ccoc1C	436125023	BXTWKBPXIGZQNV-GOSISDBHSA-N	419.909	5.117	30	20	HKED	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	437491847	HSIZNCDAHIOCPT-IIBYNOLFSA-N	401.466	5.260	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1	438218583	XKZZFNWPNGTCJZ-KRWDZBQOSA-N	415.493	5.467	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	438662350	XPQCEAWUIKHVHC-LJQANCHMSA-N	411.477	5.303	30	20	HKED	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	439016177	WRVTXNQIEMALBW-VXKWHMMOSA-N	404.510	5.400	30	20	HKED	
C[C@H](CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	441296570	XHUXZGSPJIUERS-OAHLLOKOSA-N	408.552	5.224	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1	442087559	ZXMMGVMHKVNHOP-LBPRGKRZSA-N	406.255	5.146	30	20	HKED	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC(C#N)(c1ccccc1)c1ccccc1	444650254	LZJNWHYIEAZZLF-JRPXNJEYSA-N	416.590	5.317	30	20	HKED	
Cc1ccc2c(CCNC(=O)Nc3ccccc3SC[C@H](C)C#N)cn(C)c2c1	444819571	SEUGJRUQRCDTQM-QGZVFWFLSA-N	406.555	5.103	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1	446159325	AUMKNMCPLGMQAW-OAHLLOKOSA-N	424.957	5.594	30	20	HKED	
CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	448409635	HUVRKEWIKWHBTL-INIZCTEOSA-N	409.555	5.346	30	20	HKED	
COCc1nc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)ccc2o1	464747733	SHROYTDBQMHROX-UHFFFAOYSA-N	413.433	5.199	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	464954469	RYKLUJVCUYZNGG-MAODMQOUSA-N	400.444	5.182	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1	466350278	QBJUNZARJLULJS-HNNXBMFYSA-N	407.926	5.906	30	20	HKED	
CC#CCCCC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466642235	ARDPQZJYHUNWSS-CYBMUJFWSA-N	405.361	5.252	30	20	HKED	
O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N(CCC(F)(F)F)CC(F)(F)F	468527179	HVNYXKLCFBNPSJ-UHFFFAOYSA-N	406.248	5.144	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n[nH]1	470563073	FTXAXSZYWGAQEB-QGZVFWFLSA-N	419.897	5.047	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSCc1ccccc1	470808715	SQMKLHBTDBEECD-UHFFFAOYSA-N	403.507	5.316	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C	476151604	OCEGGAPFVGDKGW-UHFFFAOYSA-N	412.505	6.501	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc(F)c(F)c1	476748328	RZVUMQYCXJVMHT-KPZWWZAWSA-N	420.410	5.387	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)csc1Br	478081284	IGHWZSPCTMCTRO-GFCCVEGCSA-N	403.326	5.433	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483227593	LNWUOUBRZDTZEO-FQEVSTJZSA-N	411.530	5.816	30	20	HKED	
COCCCOc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	483370025	FAEYAXCJPZWZEG-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1	484289124	YBNUJLPBRKQOPG-IBGZPJMESA-N	408.468	5.245	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl	486898115	FEXZEOOAPPEQDM-UHFFFAOYSA-N	415.921	5.307	30	20	HKED	
N#Cc1cscc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	487326572	YOYOAINTZNECTN-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@@H]1C[C@H]1c1cccc(F)c1F	493536779	MLLVZEXMTRGBEG-HWWQOWPSSA-N	421.312	5.090	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(Cl)c3OCC(F)F)CC2)cc1	497639462	PKRFZUQLCJVUJX-UHFFFAOYSA-N	417.843	5.177	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	500306780	QBEABGKWVPOIGP-UHFFFAOYSA-N	421.928	5.484	30	20	HKED	
N#CC1CCC(CNC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1	508374474	GUQMZTRGSAVNEW-CPAJTMIGSA-N	400.881	5.045	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1C	511761887	OJSOQLYPLAKSJF-VWLOTQADSA-N	402.542	5.043	30	20	HKED	
CC(C)N(Cc1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	513982594	FWZFGSSAHFTYNU-OAQYLSRUSA-N	423.969	6.499	30	20	HKED	
Cc1cccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	515773826	FIDGTUFAMSHHIP-JOCHJYFZSA-N	403.913	5.968	30	20	HKED	
CCOc1ccc2nc(-c3ccc(NC(=O)N4CCC(C#N)CC4)cc3)sc2c1	519191827	TUWPAALHPKLQFR-UHFFFAOYSA-N	406.511	5.129	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4nccs4)c3)cc2)cc1	520324120	CRJPTBKLSWSBLB-UHFFFAOYSA-N	411.486	5.921	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	521223346	RAJDGDQDRMYVQC-UHFFFAOYSA-N	423.847	5.525	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2cccnc12	521733890	KCWOQZIUGNZVLO-UHFFFAOYSA-N	401.413	5.512	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3nccnc3c2)c1	522641334	AYJANYXDRBFMLP-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C[C@H](SCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccc(C#N)cc1	522840621	VXINHHJGUFXIOG-AWEZNQCLSA-N	414.577	5.080	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	532979816	BCTUARXOHYDJHW-YQVWRLOYSA-N	411.546	5.036	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)OCC	534420653	FESADCIHMJJVRM-QGZVFWFLSA-N	412.383	5.342	30	20	HKED	
Cc1c(NCc2cn(CCC#N)nc2-c2ccccc2)cccc1OCC(F)(F)F	536101891	BCXZCJYXLSTGRE-UHFFFAOYSA-N	414.431	5.325	30	20	HKED	
CC(C)(C)C1=CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	536281035	QSJODQJOKYDNGU-UHFFFAOYSA-N	403.526	5.542	30	20	HKED	
C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)c1ccccc1C(F)(F)F	539508288	LJIQWTTYDKYOSQ-ZWKOTPCHSA-N	415.503	5.323	30	20	HKED	
CC[C@H](C)n1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C	539777628	UDECJLGIZRMOSH-MGPUTAFESA-N	406.917	5.724	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1	542006476	DZDIJYAUKDPKNS-ZDUSSCGKSA-N	418.353	5.438	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1nc2ccccc2s1	542128066	HMEURRDGKLGNDS-MRXNPFEDSA-N	418.424	5.296	30	20	HKED	
C[C@@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2cccc(C#N)c2)cc1	542947159	SKLCVIXTIJUIMK-MRXNPFEDSA-N	414.896	5.779	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)N3CCCCC[C@H]3c3ccco3)n2)c(Cl)c1	542960458	BSLDTZNAYLOZQW-SFHVURJKSA-N	409.877	5.140	30	20	HKED	
C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1	543515670	HHGGPLBTICCTIY-MRXNPFEDSA-N	424.957	5.061	30	20	HKED	
Cc1ccc(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)c(Sc2ccccc2)c1	544271345	SSNAMASZHXZYHT-UHFFFAOYSA-N	424.529	5.338	30	20	HKED	
C[S@](=O)Cc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	545813340	BRBVNZSNBCPIHW-LJAQVGFWSA-N	424.909	5.135	30	20	HKED	
CCC[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccn1	550143741	HZEVBIFPXUSYRF-FQEVSTJZSA-N	401.466	5.277	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1cc(C#N)cs1	553850508	JVTRKIAQKKMLCV-NSHDSACASA-N	418.385	5.665	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC(C)C)c(Cl)c1	554104589	ZLBFDWZGCNUDGK-UHFFFAOYSA-N	404.942	5.515	30	20	HKED	
C=CCOc1ccc(CNCc2cnc(-c3ccc(Cl)cc3)s2)cc1OC	556431830	GDYUJNCASPNGQS-UHFFFAOYSA-N	400.931	5.327	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1c(F)cncc1F	557785142	AQLFQWLWFFKFMY-GFCCVEGCSA-N	413.811	5.168	30	20	HKED	
C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1	579295780	RQKHOIQKGZYBBK-AWEZNQCLSA-N	414.383	5.240	30	20	HKED	
C=CCn1c(SCCCCCO)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	588011281	DJQHYOKMXFVHBX-UHFFFAOYSA-N	418.559	5.013	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1)c1ccccc1	589155111	GYHWKIWKWXHCQY-HNNXBMFYSA-N	424.382	5.650	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1COc1ccccc1)c1nc2cc(F)ccc2s1	592973241	BGHCSTMZBBREGT-IBGZPJMESA-N	402.450	5.504	30	20	HKED	
Cc1nc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)c(C#N)c(C)c1C	603578406	UIDLMGIPZSEQOH-QHCPKHFHSA-N	419.525	5.016	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-]	603613694	NJYZXQOPQLCJHZ-OAHLLOKOSA-N	409.467	5.364	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)cc1	603692859	PGCBLTFGHYQCPZ-QHCPKHFHSA-N	414.465	5.027	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C2CC2)o1	603877460	JZOYVUFQJNWEKF-KKSFZXQISA-N	416.477	5.251	30	20	HKED	
COc1ccc(Br)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1	603996077	GMAZJHGRYARAPI-UHFFFAOYSA-N	419.344	5.302	30	20	HKED	
C=CCN(CC=C)C(=O)[C@@H](C)SCc1csc(Cc2ccc(Cl)cc2)n1	604062557	PSGDTLIKUUHPHS-OAHLLOKOSA-N	407.004	5.210	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cs1	604503039	NEPSLNODXZGEGL-GFCCVEGCSA-N	409.536	5.129	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccncc2)nc2sc(-c3ccccc3)cc2c1=O	605076289	VYIHNPNLWTVTGW-HNNXBMFYSA-N	405.548	5.559	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1C(F)(F)F	608334383	RVKIIWIKMDZQQG-UWVGGRQHSA-N	422.291	5.608	30	20	HKED	
COCCN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)c1ccccc1	609209911	VKYDASUKQFVGNV-IBGZPJMESA-N	415.493	5.592	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	609402913	HYJZSLQLOHOGIU-HKUYNNGSSA-N	418.566	5.831	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1ccc(Cl)c(Cl)c1	609427635	VTVBYCXRVYOVNZ-AWEZNQCLSA-N	407.366	6.349	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl	609439104	YYHLBKMXMWKPOS-SJLPKXTDSA-N	413.974	5.973	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)cc1	609791340	GTMYRVWSPJIQOH-XMMPIXPASA-N	414.530	5.068	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc2)cc1	609969318	MLCKDXAEUGRDTC-UHFFFAOYSA-N	401.447	5.248	30	20	HKED	
C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610015894	UJSBRQBPAZLKGD-HNNXBMFYSA-N	402.429	5.036	30	20	HKED	
CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	610016704	NIZYBZPCRKBDOF-JTSKRJEESA-N	404.514	5.243	30	20	HKED	
CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	610016705	NIZYBZPCRKBDOF-VGOFRKELSA-N	404.514	5.243	30	20	HKED	
CC(C)(C)OCc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1	610624728	ZMVICKOAMKKZHA-UHFFFAOYSA-N	404.466	5.298	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC3CCN(c4ccc(C#N)cn4)CC3)s2)cc1	610809932	PSSPNWOMCRIPIV-QGZVFWFLSA-N	417.582	5.013	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc(OC)c1C(C)C	611568014	SZDMVGBPLAJVNC-UHFFFAOYSA-N	417.465	5.138	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	613407073	HIRUPLXYWROXIM-CYBMUJFWSA-N	410.804	5.381	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	613407513	WKCJCCIKUDWEHM-INIZCTEOSA-N	406.898	5.242	30	20	HKED	
Cc1ccc(F)cc1-c1nnc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)s1	619420819	KGPNWAHOFCNAEX-UHFFFAOYSA-N	407.257	5.083	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cccc(CSc3ccccn3)c2)cc1Cl	619787903	VBEVCENJVFPKEQ-UHFFFAOYSA-N	408.914	5.221	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2C(C)(C)C)cc1	670054112	XATMLMRKCACGKX-UHFFFAOYSA-N	400.910	5.589	30	20	HKED	
Cc1nc2c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cccc2o1	672581846	FVBVLUZTFFWNIA-GFCCVEGCSA-N	401.369	5.255	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CNc1ccc(C(F)(F)C(F)(F)F)cc1	675618365	HOBIMWNNFXVGDS-LLVKDONJSA-N	422.344	5.250	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	675740136	MECBCZCWQMIAHB-JLPCPHJNSA-N	415.393	5.321	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCc3sccc3[C@@H]2c2cccs2)cc1Cl	726450479	UWVOYQSHSYLVBO-GOSISDBHSA-N	415.996	5.679	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	726471957	ILLIKJUGAUEOCZ-UHFFFAOYSA-N	403.894	5.794	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)cn2)cc1	726913671	NBXGCIDHEQIFFU-DEOSSOPVSA-N	413.477	5.385	30	20	HKED	
CC(C)(C)c1ccc(C=NOCc2nnc(-c3ccc(Br)s3)o2)cc1	727437358	LEEPJFPFUMEYKH-UHFFFAOYSA-N	420.332	5.409	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1	728466376	SITUKIVSUYXAJF-YADHBBJMSA-N	408.423	6.017	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	728770919	YWKNOQIYXSXSAD-MRXNPFEDSA-N	400.434	5.227	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc3cc(F)ccc3s1)O[C@H](C)C2	730418747	ZFOOVQFXMXJOEA-HUIAQSGMSA-N	422.481	5.047	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)c(F)c2)cc1C	730630059	DTVFHDJLIDWLLJ-KRWDZBQOSA-N	416.452	5.165	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1nc2ccccc2n1C(F)F	730922464	RHIXSOUAJZRYKJ-GUDVDZBRSA-N	401.416	5.565	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc1OC	732542715	PDYDXRRCVLJDLH-JLHYYAGUSA-N	422.525	5.205	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC	733230626	PGJGXSULFZSGMP-HXUWFJFHSA-N	416.477	5.098	30	20	HKED	
N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	734082913	INYRRPFKVPRCFG-OAHLLOKOSA-N	419.453	5.192	30	20	HKED	
Oc1ccc(Br)cc1C=Nc1cccc(CSC2CCOCC2)c1	734753247	PUVQECIYNCGNMG-UHFFFAOYSA-N	406.345	5.318	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1	734934205	FMYBLMFLKRUQJH-JXFKEZNVSA-N	411.571	5.233	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(CC)[C@@H](CC)c2ccncc2)c1=S	739888833	WJWASRYRKCMJGW-FQEVSTJZSA-N	411.550	5.232	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)cc2-n2cccc2)c1	740454904	VMFDAOWXUHVIFF-SFHVURJKSA-N	408.889	5.133	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1	746388961	KITMODFVNNKJSM-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1c(C)nn(C(C)C)c1C	746487240	VWDTYFVODTYNGD-UHFFFAOYSA-N	404.543	5.589	30	20	HKED	
N#Cc1ccc(CN2C/C(=C\c3cccs3)C(=O)/C(=C/c3cccs3)C2)cc1	749454118	WHIWZAFLNWXVDR-AYKLPDECSA-N	402.544	5.233	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccco1	750691922	VEZJWCONNMLOBG-DHIUTWEWSA-N	417.509	5.470	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CC2(CCC2)c2cc(Br)ccc21	765116748	WONWDVRWLUOUAG-UHFFFAOYSA-N	413.340	5.147	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(F)cc2Br)S1	767718256	SGIYOILDEBXLPH-NVNXTCNLSA-N	405.292	5.097	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)C1CCN(c2nc3ccccc3s2)CC1	768017633	JXCCDOSQJJIYRA-UHFFFAOYSA-N	419.550	5.057	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2ccccc2SCc2cccs2)c1OC	768156525	LSNFANPFMBFTNC-SFHVURJKSA-N	424.547	5.052	30	20	HKED	
Cc1cc(C(=O)COC(=O)/C=C\c2ccccc2C#N)c(C)n1[C@@H](C)c1ccccc1	775082178	GRNARDUJLQGVDX-QQBSYFJQSA-N	412.489	5.025	30	20	HKED	
CSc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1[N+](=O)[O-]	776781286	AGSVYXGBJVKRQN-IBGZPJMESA-N	403.463	5.224	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)OCc3ccc(C4(C#N)CC4)cc3)cs2)cc1	777144165	JURXJAMXIJKKTB-UHFFFAOYSA-N	418.518	5.050	30	20	HKED	
COc1ccc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)cc1OCCCC#N	777466721	FNKNLUHAAJIHHE-GDNBJRDFSA-N	416.399	5.004	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1	777943032	PCDJHZJYCGDYEA-UHFFFAOYSA-N	401.422	5.171	30	20	HKED	
C=CC[C@@H](NC(=O)Cc1csc2ccc(Br)cc12)c1ccncc1	791595967	WMQOKIDQPXOECK-QGZVFWFLSA-N	401.329	5.035	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)s1	797570694	JAAIPMNNFYXSPK-ABPVARSCSA-N	410.539	6.058	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1Cl	799900854	QVLDHMAULBEDRP-UHFFFAOYSA-N	420.243	5.615	30	20	HKED	
N#CC1(CCCOC(=O)c2cccc(OCc3cccc(Cl)c3)c2)CCOCC1	800147594	QWWIKKIJMJYYRT-UHFFFAOYSA-N	413.901	5.176	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	805165027	UHELHJKAWIURBT-SIBVEZHUSA-N	405.501	5.708	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1	815636368	TZFLNZUXERRARR-ZWKOTPCHSA-N	414.933	5.576	30	20	HKED	
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(C(F)(F)F)s2)no1	904964347	JHPRLCNJWOFALH-VIFPVBQESA-N	423.844	5.525	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)[C@@H](C)c1ccc(C#N)cc1	914509107	BYCJGXVTUWBDRZ-AVRWGWEMSA-N	424.500	5.236	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccccc2)cs1	915102398	RXBIMSGOUUQQFJ-SFHVURJKSA-N	422.600	6.169	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1	916151833	FLRQXZXROOHIOH-SSZFMOIBSA-N	419.484	5.397	30	20	HKED	
Cc1ccc(C(C)C)c(OCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	916927239	GYAFUFOVTXJUHS-MRXNPFEDSA-N	419.308	5.152	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)ccc2c1	918627473	SDXNMXOIUMGAIT-XFFZJAGNSA-N	424.422	5.324	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)o2)cc1	920102122	PRZPOBWVSUUJSP-IBGZPJMESA-N	410.429	5.144	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc4ccccc34)n2)cc1	920143887	UFCJFNHIBHTNDR-SFHVURJKSA-N	404.516	5.452	30	20	HKED	
Oc1c(Cl)cc(Cl)cc1C=Nc1cccc(-c2nnc3n2CCCCC3)c1	920943280	VMPHMYKHMONPEC-UHFFFAOYSA-N	401.297	5.435	30	20	HKED	
C=C(Br)CNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	921043401	XWCIPYGOOAQUBZ-UHFFFAOYSA-N	419.369	5.227	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCCO1	1286622700	KINSRKMKOSZQPJ-LJQANCHMSA-N	402.970	5.000	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3CC)CCC2)cc1	1786102576	QAXRFRXLBKQBLS-UHFFFAOYSA-N	417.553	5.160	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC)cc3)CCC2)cc1	1786103971	YMXJISABLUBREK-UHFFFAOYSA-N	417.553	5.244	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCC1	1790222890	SKNXOFXUWCJILB-UHFFFAOYSA-N	414.958	5.007	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CCC2)cc1	1791730145	KDEPNTRABIYQRA-DNQXCXABSA-N	414.549	5.118	30	20	HKED	
C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1OC	4197245	DAAXOLWYIREPBB-UHFFFAOYSA-N	405.445	5.451	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1	10756267	ADHFCJDXEUGWEJ-UHFFFAOYSA-O	413.925	5.380	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1cccc(C)c1	16862974	ZXQQWNNNWHTZLM-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
Cc1cc(C)c2c(c1)/C(=N\Nc1nc(C)nc3sc(-c4ccccc4)cc13)C(O)=N2	24037947	MWMHJDHTTFJTFG-UHFFFAOYSA-N	413.506	5.701	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1	29202424	SIJZUBSWVRLXDT-UHFFFAOYSA-N	403.866	5.254	30	20	HKED	
C=CCN(C(=O)c1csc(Cc2ccccc2)n1)c1nc(-c2ccccc2)cs1	33153200	ZQEJPFZMQNWTBU-UHFFFAOYSA-N	417.559	5.690	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1OC	46539099	GSHBSOOPQQHWLJ-UHFFFAOYSA-N	408.542	5.277	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1c[nH]c2ccccc12	46879919	UYFIMUGQHONNEA-UHFFFAOYSA-N	410.477	5.497	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)c1	60265344	IBMLKMKZNAQWEU-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3csc(-c4ccccc4F)n3)n2)cc1	64778489	STUFOKHHORRCCH-UHFFFAOYSA-N	406.467	5.197	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	65518530	IWVYCPLOFBVSTB-IBGZPJMESA-N	418.006	5.011	30	20	HKED	
CCn1cc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2ccccc21	97542548	MMBHPHRXLOZHJC-UHFFFAOYSA-N	423.516	5.602	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3ccc(F)c(C#N)c3)oc3ccccc23)s1	97544203	DIPLHOFUKZPSQL-UHFFFAOYSA-N	424.482	5.148	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1	111020507	IUWILOCALLYVOW-UHFFFAOYSA-N	409.486	5.217	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC(F)F)cc1	303367605	JARDGOHNSNTRDI-KGLIPLIRSA-N	405.470	5.422	30	20	HKED	
CCCOc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1OCC	303408988	UEHZBWNKHWURQU-MRXNPFEDSA-N	407.297	5.176	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	303475829	NVIGHFKPDKNKIJ-CWAQXLGLSA-N	421.544	5.151	30	20	HKED	
Cc1nc(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)sc1SCC#N	303960767	BTBDRLABCOJYRX-UHFFFAOYSA-N	419.453	5.404	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1nc2ccccc2o1	426190624	QICKLLXGPXSUSI-SNVBAGLBSA-N	409.161	5.099	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c1	430620049	HDBVXRBGYRVPGP-UHFFFAOYSA-N	413.546	5.359	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1	430954625	JWGBGJWFFHTOOD-UHFFFAOYSA-N	402.454	5.237	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NCC1(CC#N)CC1	432131990	YBHJZXQGSZDVSA-UHFFFAOYSA-N	419.504	5.547	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@@H](c1cc(F)ccc1F)C(F)F	433621676	LGXDORAWSPZCBN-GJZGRUSLSA-N	408.317	5.264	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[nH]c(C)c1C(C)=O	437471346	WLFPAYNVHBSCMK-UHFFFAOYSA-N	405.429	5.144	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1F	437476886	SFWZIGRTCAOQMD-UHFFFAOYSA-N	401.224	6.049	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(COCc2ccccc2)cc1	438403009	UEJKEUANPSQPFV-UHFFFAOYSA-N	416.521	5.632	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)NCCc3cccc(C#N)c3)c(C)c2)n1	439490758	BXLMIYDNXLIXIN-UHFFFAOYSA-N	408.552	5.147	30	20	HKED	
CSc1ccccc1[C@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	440614312	NEEBKOQVWXUOSL-INIZCTEOSA-N	410.587	5.103	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(-c2cccs2)c1	446862327	QEWVMBROTZYFKS-OAHLLOKOSA-N	421.547	5.244	30	20	HKED	
CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F	448194165	RIFCRFVZQLKXBX-SFHVURJKSA-N	419.790	5.242	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@]12CCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	460798772	WYZDYSCAHQFPOO-DJJJIMSYSA-N	409.338	5.063	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H]1c1cccs1	460950644	GUKKMPPMHRDIMG-SFHVURJKSA-N	424.570	5.235	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Br)cc1F	461793429	CJXAORNSHJLMIH-CQSZACIVSA-N	418.310	5.141	30	20	HKED	
CCc1cccc(C)c1NC(=O)CNc1ccc(Oc2ccccc2C#N)c(F)c1	463228672	VWSMULPKOBPHJU-UHFFFAOYSA-N	403.457	5.411	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)CNc1ccc(Oc2ccccc2C#N)c(F)c1	463231305	WRRCRYHLMRNPTQ-UHFFFAOYSA-N	409.848	5.502	30	20	HKED	
C[C@H](C(=O)N(Cc1cccnc1)c1ccc(Br)cc1)c1cccc(C#N)c1	463467919	YQOCRDUACSUKNH-INIZCTEOSA-N	420.310	5.053	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cc1C	465464351	FVHMMKXUPZNWFT-NFBKMPQASA-N	412.537	5.099	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)on2)c1	468255333	MXDCJYWGXKTTFK-NRFANRHFSA-N	417.515	5.124	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)s1	468788514	BIEFRWVUKLOFMN-CYBMUJFWSA-N	418.360	5.267	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCCC[C@H]3c3cccc(C(F)(F)F)c3)o2)cc1	469531234	OJFWNBCDDIONJV-IBGZPJMESA-N	412.415	5.354	30	20	HKED	
C[C@H](NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccc(C#N)cc1	472851006	OXPAYYOKXPTDED-LBPRGKRZSA-N	407.861	5.022	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	476162624	RATLOAURJANMIS-UHFFFAOYSA-N	405.586	5.321	30	20	HKED	
Cc1cnc([C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C2CC2)s1	479855673	YPRIWRBKWOCKQN-HXUWFJFHSA-N	405.548	5.356	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1cnc2ccccc2n1	483220405	WQXGHRVOLWVXDF-LJQANCHMSA-N	411.848	5.004	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	483467547	ZJRFHKYTDVATPA-QWHCGFSZSA-N	407.285	5.485	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1	485545510	OWLMWBDVJYMSIS-UHFFFAOYSA-N	417.918	5.159	30	20	HKED	
CC(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)nc1C	487004474	DBSRDBSPKSFIPJ-SFHVURJKSA-N	409.898	5.168	30	20	HKED	
N#CCCC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1	487450002	SRRJTOUBCSWVEF-IBGZPJMESA-N	417.372	5.234	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccc(-c3ccccc3)o2)cc1	487873014	LLMOITOWTWUZNN-UHFFFAOYSA-N	412.411	5.342	30	20	HKED	
C=CCn1c(SCc2ccccc2C(C)(C)C#N)nnc1-c1ccccc1OC	488129970	RPMAUZUOHXYTDB-UHFFFAOYSA-N	404.539	5.233	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	489053195	WBAKMGNTINRLCJ-LJQANCHMSA-N	410.901	5.226	30	20	HKED	
N#Cc1ccc(F)c(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1	494018661	FBYOCKLVPWOSOO-QHCPKHFHSA-N	408.860	5.001	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccco1	494081246	XXKLNEQTZILCRJ-OPAMFIHVSA-N	421.522	5.594	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCc1ccc(Br)s1	500310601	BUTPDDLZQYVVTJ-UHFFFAOYSA-N	419.388	5.390	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Nc3cccc4[nH]ccc34)cc2F)c1	502466468	GJGSEPWVGXQXEK-UHFFFAOYSA-N	400.413	5.402	30	20	HKED	
C=CCc1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)cc(OC)c1OC	503323854	NAWNGDGVHFMBTJ-XZOQPEGZSA-N	401.506	5.005	30	20	HKED	
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503955856	NCKIWUIUOOEIQC-IBGZPJMESA-N	423.516	5.032	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cccc1Oc1ccccc1	504153462	FOVOCWXMTSHNFF-UHFFFAOYSA-N	403.457	5.932	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNC(=O)Nc2ccc(CC#N)cc2)cc1	505112928	IHEACYZFMZAVTH-UHFFFAOYSA-N	416.481	5.050	30	20	HKED	
N#C[C@H](C(=O)Nc1nc2c(s1)CCCC2)c1nc(-c2ccc(Cl)cc2)cs1	505449415	OJQWXJIJCRPOBG-CYBMUJFWSA-N	414.943	5.045	30	20	HKED	
CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509903699	YHHVTRINFDITFJ-UHFFFAOYSA-N	419.912	5.649	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1	511023566	ALIBQWMSYATCMV-XMMPIXPASA-N	417.553	5.650	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(OCc2cccnc2)c1	511133365	YWXPRIRVDUTKTA-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc2cc(Cl)ccc2s1	511340139	BWXQAYHCUWGTGH-CQSZACIVSA-N	413.289	5.279	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C(C)C	512270821	OAOIKBHBAYAABQ-UHFFFAOYSA-N	415.493	5.874	30	20	HKED	
CCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)o1	513617321	PUBAIJNUAUKTOD-LBPRGKRZSA-N	406.294	5.466	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccs1)C(C)C	513877373	YKUWRQGRAFMRJA-UHFFFAOYSA-N	405.523	6.163	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1	514813969	MWZYZFOFIFXXMU-RDTXWAMCSA-N	403.935	5.101	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2ccc(C#N)cn2)cs1	515605486	FXYDLYZNHVKSJV-UHFFFAOYSA-N	400.916	5.040	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)cc3)n2)cc1	516713664	GEJANERYYMPKPF-MRXNPFEDSA-N	402.397	5.328	30	20	HKED	
CCc1noc2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc12	517283316	VPGHAODCHARELD-LJQANCHMSA-N	416.868	5.346	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	517655770	VMCLGOWUZNARES-UHFFFAOYSA-N	423.472	5.490	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1	517777747	MEGILBGTRQSMOK-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	518259071	CSFYOEYVGFGJSQ-MRXNPFEDSA-N	410.499	5.209	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccccc1Cl	518656057	AXNJLRKSAPSEKK-LSDHHAIUSA-N	404.988	6.025	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1c[nH]c2ccccc12	520837230	OIMYFKCWLMGXNA-UHFFFAOYSA-N	403.429	5.374	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1	520923222	FQJGPNSASGWVHY-HNNXBMFYSA-N	421.547	5.647	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	521797350	OHMVBLSWQLGQJB-MRXNPFEDSA-N	417.490	5.377	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)on1	522635234	AZJHTWUGKGQKOY-IBGZPJMESA-N	407.857	5.278	30	20	HKED	
COC(=O)[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(Cl)c1	522752558	HFGRYZJIOFMWEQ-JOCHJYFZSA-N	406.869	5.117	30	20	HKED	
CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)c1ccc(C#N)cn1	524507567	GKEPFPQHEPJXHL-UHFFFAOYSA-N	413.521	5.120	30	20	HKED	
CC(C)CN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1	525458595	NQRDOMIRXLSVFC-MOPGFXCFSA-N	402.416	5.250	30	20	HKED	
CCn1c(-c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)nc2cc(C#N)ccc21	533908577	IHJRAUAJHQDYGC-UHFFFAOYSA-N	423.448	5.014	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(C#N)c(Cl)c1	536973224	SHLVBCXHXWGXIA-UHFFFAOYSA-N	409.917	5.397	30	20	HKED	
C=CCCOCCCCC(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C	538301870	PREFIYOLUSLRHF-AUUYWEPGSA-N	412.393	5.111	30	20	HKED	
C=CCN(C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)C1CC1	539028112	QIWWUHVJCDMWPH-UHFFFAOYSA-N	417.431	5.448	30	20	HKED	
C=CCC[C@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccccc1	539358644	WWHNUCHERPKVPF-KRWDZBQOSA-N	421.854	5.132	30	20	HKED	
N#CCC1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CC1	541049216	MYZNJODGKLVTFQ-UHFFFAOYSA-N	417.278	5.146	30	20	HKED	
C[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(-c2cccc(C#N)c2)cc1	542001034	VUVUWNMDZASVMJ-MGPUTAFESA-N	403.507	5.024	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccncc2N2CCCC2)cc1Cl	542500171	KQTHFUJYWHPNAK-OAQYLSRUSA-N	416.912	5.243	30	20	HKED	
CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)CC1	543751293	DLYIKJFXGAMESA-BMRADRMJSA-N	413.546	5.549	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1	545316325	VEMGSAMEABEUGP-AWEZNQCLSA-N	422.712	5.252	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(Cl)cc2)CCC1	551465596	MZFQGNFLWNQBTC-INIZCTEOSA-N	413.974	5.342	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(SCc2ccccc2)cc1	557587675	LNCWLMUVZHKNGP-UHFFFAOYSA-N	407.535	5.283	30	20	HKED	
CC1(C(=O)N2CCC(c3ccccc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1	561029571	VAIBDPKGWNZQJT-UHFFFAOYSA-N	421.972	5.224	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](c4ccccc4F)C3)cc2)cc1	561847516	OVZGWHWKXMYLFB-FQEVSTJZSA-N	400.453	5.314	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCn4c(cc5ccccc54)C3)cc2)c1	562168401	MLLSVILUKFBWCL-UHFFFAOYSA-N	422.488	5.743	30	20	HKED	
CCOc1ccccc1Oc1ccc(CNc2nc3cc(Cl)ccn3c2C#N)cn1	582079572	NYELINZEPWSNCB-UHFFFAOYSA-N	419.872	5.057	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	582516472	HPMNMEJKHPZRBD-DEOSSOPVSA-N	412.493	5.813	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC2(C#N)CCCCC2)cc1	585719424	SATVPFQCBPCERM-UHFFFAOYSA-N	401.510	5.119	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc2cc(F)ccc2s1	592973837	JCKLBWDSPXGISO-NSHDSACASA-N	421.305	6.447	30	20	HKED	
C=CC1CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CC1	599676863	BPBXESJIDLMYTP-UHFFFAOYSA-N	423.866	5.071	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2	603593678	BSTGKGFUGWIGFF-UHFFFAOYSA-N	412.537	5.201	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)c2C#N)C1	603819852	JEFUPOUGFLFQLN-GFCCVEGCSA-N	411.527	5.188	30	20	HKED	
CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1	608882181	JNASOHAKFWOGNK-UHFFFAOYSA-N	414.509	5.043	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1cc(F)cc(F)c1	609079730	JTQXPGXJVIOWPH-UHFFFAOYSA-N	421.447	5.088	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1	609376706	IPKGGVFURPFLEM-SFHVURJKSA-N	402.519	5.770	30	20	HKED	
COCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)sc2cccc(F)c12	609378166	YSTPSCADOITQBF-CYBMUJFWSA-N	414.527	5.691	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1nc2cc(Cl)ccc2s1	609378184	SVBMCRGLFLWWHF-ZDUSSCGKSA-N	415.971	5.773	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434155	YKMWBSQTTAQIKI-UHFFFAOYSA-N	424.504	5.912	30	20	HKED	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609578785	LOMBPNNNMAJVLD-QHCPKHFHSA-N	400.482	5.607	30	20	HKED	
COCc1ccccc1CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609723276	ZWGYNVHKEBLWLZ-UHFFFAOYSA-N	406.869	5.080	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](C)c1cccc(C#N)c1	610365001	ZGRFZMHBOQBNKJ-GFCCVEGCSA-N	415.440	5.500	30	20	HKED	
COc1ccc(-c2nc(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)cs2)cc1	611765817	SUQIVTKFSVRMRT-UHFFFAOYSA-N	421.913	5.142	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccc1	613407518	WSDHWCHLWNXXEO-OAHLLOKOSA-N	406.898	5.188	30	20	HKED	
Cc1nc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)sc1Cc1cccc(F)c1	618445234	XTRQPBAZXKJMAN-UHFFFAOYSA-N	420.296	5.612	30	20	HKED	
Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2ccc(F)cc12	618668562	SSSXLZVLVDNMAA-UWVGGRQHSA-N	413.358	5.552	30	20	HKED	
Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)c2cc3ccccc3n2CC#N)c1	619608808	MJRWLOQCDIZUQX-UHFFFAOYSA-N	414.896	5.369	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCCC[C@@H]1c1ccncc1	642523469	VJAVIMKXQLMCBW-HSZRJFAPSA-N	401.535	5.692	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(SC)cc1	645079375	LRMZGUPFHUBZOB-UHFFFAOYSA-N	401.532	5.196	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(C2SCCCS2)cc1	726754664	PNRCSNBXCDHUAC-UHFFFAOYSA-N	419.575	5.304	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1C	728269325	IFVONXOERBISCB-UHFFFAOYSA-N	414.509	5.265	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1	729040707	XPUSGMCILHIZAU-UHFFFAOYSA-N	409.555	5.524	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	729160433	QEULDMDDHYPJOY-UHFFFAOYSA-N	402.479	5.118	30	20	HKED	
Cc1cc(COc2ccc(/C=C\C(=O)c3ccc(Cl)s3)cc2)oc1C(=O)O	729937390	QIQQGVVZFPVUJO-DAXSKMNVSA-N	402.855	5.476	30	20	HKED	
Cc1cc(COc2ccc(/C=C3\CSc4ccccc4C3=O)cc2)oc1C(=O)O	729937572	WJNNKGDQWKIZMD-LFIBNONCSA-N	406.459	5.237	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1csc2ccccc12	730060690	DONMHTPLBYJXPK-VGOFRKELSA-N	411.530	6.439	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C2\CSc3c(F)cccc3C2=O)cc1	730949089	RPFQOTPHNQJKIJ-GXDHUFHOSA-N	410.422	5.068	30	20	HKED	
N#C[C@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1cccc(Cl)c1Cl	731195895	PIHDXZHAHCDNPM-GIFJBRJJSA-N	416.695	5.589	30	20	HKED	
Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)c2cn(CCC#N)c3ccccc23)n1	731937892	PAFDKGPQSXSTLW-UHFFFAOYSA-N	419.488	5.158	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2SCC#N)c1	733146755	SNGYJLVKMKJLEG-UHFFFAOYSA-N	401.463	5.041	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC	733230625	PGJGXSULFZSGMP-FQEVSTJZSA-N	416.477	5.098	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)c1ccncc1	734234209	JMMKBFVFJARXRQ-LJQANCHMSA-N	405.546	5.060	30	20	HKED	
C=CC[C@H](NC(=O)c1csc(-c2cc(Br)cs2)n1)c1ccncc1	734360786	LWMCHTWYOZLWHC-ZDUSSCGKSA-N	420.357	5.076	30	20	HKED	
Cn1c(CSc2nc3ccccc3s2)nnc1S[C@@H](C#N)C1CCCCC1	734368416	UFFYOWMAOJWYRX-INIZCTEOSA-N	415.613	5.282	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(SC(F)F)cc1	734980188	IGNHPCNDAGMMRS-RUDMXATFSA-N	401.356	5.398	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(OCCc3ccccc3)nc2)cc1Cl	736442432	FIBWGMPIEDBLQB-UHFFFAOYSA-N	408.914	5.037	30	20	HKED	
Cc1ccc(-c2ncc(CNCc3cccc(-c4ccc(C#N)s4)c3)s2)cc1	740011661	QJUCDTWIUBNDDA-UHFFFAOYSA-N	401.560	6.009	30	20	HKED	
N#CCOc1cccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)c1	743102423	HIWOESZIGXPAHA-UHFFFAOYSA-N	417.431	5.589	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	743471949	GPZBXKOPJPGBFD-HXUWFJFHSA-N	424.504	5.406	30	20	HKED	
N#Cc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1C(F)(F)F	744371680	YMNZCZYZSNHEBD-UHFFFAOYSA-N	421.375	5.004	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	746126152	RWNWYDGDDHOOMV-BBRMVZONSA-N	417.456	5.184	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1=S	746706286	KDMITMXKXRXXCB-UHFFFAOYSA-N	409.386	5.406	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C	753908732	LSTNARWAIHWGDA-UHFFFAOYSA-N	421.541	5.247	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2cc(-c3ccccc3)ccc2OC)ccc1OC	756898687	VGTWYNAAVHCIDO-QHCPKHFHSA-N	416.521	5.342	30	20	HKED	
O=C(/C=C\c1ccc(OCC(F)(F)F)c(F)c1)c1c(Cl)nc2sccn12	758063123	RGRGJSNTAOUIAC-IWQZZHSRSA-N	404.772	5.026	30	20	HKED	
N#C[C@H](C(=O)c1sc(N2CCCC2)nc1Cl)c1nc2cc(Cl)ccc2s1	764756048	MBDNNFDTTXNENO-SNVBAGLBSA-N	423.350	5.150	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1=S	765034392	ANRHGXYHNIOGFO-DYESRHJHSA-N	423.561	5.232	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1)c1ccc(F)c(F)c1	773473401	BZZDFZCPJLBOHI-HXUWFJFHSA-N	403.860	5.129	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C(C)C)ccc1OC	774447466	HOGOIRNPOHVHIL-UGKGYDQZSA-N	420.475	5.882	30	20	HKED	
COc1ccc(CN[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1C#N	778217054	DOJSOXBGLULYAU-OAQYLSRUSA-N	407.514	5.081	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccc2ccccc2n1	781444348	JESWGYPOOIBPKO-HNNXBMFYSA-N	414.814	5.815	30	20	HKED	
CCc1c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1-c1ccc(Cl)cc1	792485798	FUVOBVXIISMNGT-AWEZNQCLSA-N	409.877	5.023	30	20	HKED	
CN(Cc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)OC(C)(C)C	793246417	HEZPYOPFJYZGAK-UHFFFAOYSA-N	407.514	5.107	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2c(Cl)nc3cc(Cl)ccn23)cc1	795796570	CLUSMNSDWISFKW-UHFFFAOYSA-N	415.324	5.067	30	20	HKED	
N#C[C@H](C(=O)C(F)(F)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	796634654	MJDKGLCOUUTXJB-MRXNPFEDSA-N	402.853	5.518	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1	808447127	NTTCGJJBUBGBTF-QKKBWIMNSA-N	424.342	5.388	30	20	HKED	
C=CCCC[C@H](C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1	883978602	RHAGHIYVDFCSIS-BQFCYCMXSA-N	421.425	6.152	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)ccc1OC(F)F	915041119	KQIXJYINRFFNAA-XBXARRHUSA-N	411.404	5.167	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(-c2ccccc2)cs1	915102522	VVDBSSVKUOLPQH-KRWDZBQOSA-N	422.531	5.060	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1	915352967	KQHHOUNZKPOACX-JOCHJYFZSA-N	406.489	5.414	30	20	HKED	
CN(CCOc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353185	RGIBXQPVZZQGLT-QHCPKHFHSA-N	403.457	5.024	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Oc2cccc(Oc3ccccn3)c2)o1	916862492	KLDVAGGRVBNMQK-UHFFFAOYSA-N	412.401	5.137	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4cccs4)oc3C)n2)cc1	916974206	GQYTYIQJCNAGLJ-HNNXBMFYSA-N	405.504	5.634	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1	917043865	ORDPUEWNBHPFAV-JRBALWBOSA-N	412.845	5.920	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2nc3ccccc3s2)cs1	917530689	VXURVNGLSOBKBQ-UHFFFAOYSA-N	407.524	5.192	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)o1	917632785	MJCGYJSRURLLMX-XMMPIXPASA-N	410.429	5.072	30	20	HKED	
CN(CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1F	918034481	QRIJFNLESGFNRS-JOCHJYFZSA-N	416.500	5.129	30	20	HKED	
Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CC(F)(F)F	918555765	ALAHWDYLLHDVBL-INIZCTEOSA-N	423.416	5.160	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3c[nH]c4ccccc34)n2)cc1	920139772	YTCHZPYGZMCXIY-FQEVSTJZSA-N	415.518	5.499	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1	920807011	VNPQMEDBMOMZIC-AWEZNQCLSA-N	402.853	5.551	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCCO3)CCC2)cc1	1785840817	ITIYQWGJWUWHTD-NRFANRHFSA-N	412.574	5.072	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)CCC1	1787384219	VDYIRRLDSDEJRX-HXUWFJFHSA-N	423.944	5.251	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)CCC1	1789721485	MXCLRGCNPFNRNV-HXUWFJFHSA-N	423.944	5.251	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(SC)cc4)cc3)CCC2)C1	1791732261	GCSBLBNHRBZPBA-UHFFFAOYSA-N	420.578	5.051	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2c(C)cccc2C)c1	11153610	RQJIQQNFUNOXDE-UHFFFAOYSA-O	417.598	6.074	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1	32162661	YNJZBJSBARDNTN-UHFFFAOYSA-N	412.445	5.166	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)C2(C#N)CCCC2)cc1C	32462026	YNSMJTYOESHCOG-UHFFFAOYSA-N	412.537	5.199	30	20	HKED	
COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	60477713	SIFSMEZEWKBYCK-OAHLLOKOSA-N	403.290	5.616	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(OC(F)F)cc1	60973339	WUHMXKVFFSNWOB-QGZVFWFLSA-N	408.448	5.589	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1	65087947	IEUYWOJESCHRCE-UHFFFAOYSA-N	406.489	5.121	30	20	HKED	
Cc1ccc(C)c(OC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)c1	65742382	VSMGTSBXFWYXLS-UHFFFAOYSA-N	410.517	5.526	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1OC	65871309	ZFLFXYOPAMHORS-JXMROGBWSA-N	421.415	5.161	30	20	HKED	
O=C(O)CCCOc1ccc(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)cc1	71813566	UEQOWCQOUZNRDA-FMIVXFBMSA-N	411.454	5.089	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	303746312	ZVEDMHSJVMVSHM-PMERELPUSA-N	418.562	5.257	30	20	HKED	
CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1Br	409476102	QJWLHHJNDZTXCB-UHFFFAOYSA-N	401.304	5.048	30	20	HKED	
Cc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)sc2ccc(C#N)cc12	430895628	CRRAOAPZFSBRAT-UHFFFAOYSA-N	417.559	5.711	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	431815180	VEDAEFMGRUVPGT-PXDATVDWSA-N	418.585	5.295	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1	433268362	KYSGOTOWUHGYFG-LADGPHEKSA-N	415.468	5.148	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cs1	433792914	PSBWSNGTPZRFDA-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2cccc(F)c2)s1	436150347	JIUBOTYIEALPQM-SFTDATJTSA-N	420.513	5.177	30	20	HKED	
C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1nc(-c2ccccc2)cs1	437108568	NWPQMNCNOGSUAG-DZIBYMRMSA-N	404.539	5.118	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	437491842	HSIZNCDAHIOCPT-HRAATJIYSA-N	401.466	5.260	30	20	HKED	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	439121673	ZIGGJVZZWGCAAS-SFTDATJTSA-N	402.519	5.444	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	439491416	KETNIHPUVBCTRK-GMWXCSQMSA-N	419.525	5.144	30	20	HKED	
CCCc1c(NC(=O)c2cccc(Oc3ccncc3)c2)cnn1-c1cccc(C#N)c1	440071494	OGPNKXOASXAQGM-UHFFFAOYSA-N	423.476	5.136	30	20	HKED	
CC[C@H](CN(CC)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	441933237	KUNHWAHEPQLNLS-RTBURBONSA-N	423.582	5.062	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	461708303	XJQNLZSGEFYZBQ-UHFFFAOYSA-N	408.889	5.260	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c12	464957380	YMUPPPBEKKEXNF-TZIWHRDSSA-N	414.509	5.136	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3CCC(F)(F)F)o2)cc1	465121175	LZTJAGPFGWPVHM-UHFFFAOYSA-N	414.383	5.477	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3cc(Cl)ccc3SCC(F)(F)F)o2)cc1	471655331	GXOSKLCABQOIDP-UHFFFAOYSA-N	424.835	5.528	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cccc(COc3ccccc3C#N)c2)n1	474448510	SMECCMIDYWRVGK-LJQANCHMSA-N	401.491	5.207	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)CC2CCCC2)CC1	475565957	YBPBEWFBUVLFLR-UHFFFAOYSA-N	411.590	5.185	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCC(C)CC2)nc1	475567217	CODUXDOVWFDAMX-UHFFFAOYSA-N	406.574	5.492	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1C#N	480959859	JEUPYDFMSWOGBX-LJQANCHMSA-N	404.470	5.246	30	20	HKED	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	481954062	TUJNZFNRSVIGNM-UHFFFAOYSA-N	416.477	5.030	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1	482564695	KWRAXNUKOMHPPY-CQSZACIVSA-N	403.294	5.387	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)ccc1NC(=O)c1cccs1	483201304	QFTSIUHQFPNSRT-IBGZPJMESA-N	411.486	5.347	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nccc2ccccc12	483215954	JHUAQANHIDWUOY-HXUWFJFHSA-N	404.429	5.171	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nccc2ccccc12	483228524	CVSHGVIBQZVLGK-LJQANCHMSA-N	405.479	5.381	30	20	HKED	
CC(=O)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1F	486793867	HJQREJQFHBMMRA-UHFFFAOYSA-N	419.431	5.273	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	487559084	MACZTBWUNGFLME-CYBMUJFWSA-N	411.458	5.214	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1OC	487596414	RJQVGFFKASSPCI-LJQANCHMSA-N	400.906	5.302	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	488015147	QLQPOWJJCZGJPJ-LJQANCHMSA-N	402.469	5.002	30	20	HKED	
N#Cc1c(F)cccc1CSc1nnc(COc2ccccc2Cl)n1C1CC1	488264315	PABBKOBQSLLOKC-UHFFFAOYSA-N	414.893	5.148	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)cc1	490625092	CUMOBWDIXQNXHL-UHFFFAOYSA-N	410.395	5.603	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1Cl	491844545	GQXQOTPGNHMTJM-PWDRSHDSSA-N	423.944	5.058	30	20	HKED	
CCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	496094433	SIERGXPAGHLAQL-GFCCVEGCSA-N	406.294	5.466	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	496190016	QUIALXVOCBEJNR-AOMIVXANSA-N	421.541	5.050	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1	500693780	DNECXUOTMSRJQJ-SFHVURJKSA-N	411.506	5.001	30	20	HKED	
CC1=NN(c2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)CC1	501466010	HPNKMOOXJRWJIM-UHFFFAOYSA-N	424.504	5.170	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C	502311613	PBCREQUCKNVYFR-AWEZNQCLSA-N	408.951	5.186	30	20	HKED	
COc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1	502619224	CEOJZJMPFNQELE-UHFFFAOYSA-N	403.438	5.320	30	20	HKED	
C=CCOc1ccc(CN(Cc2csc(N(C(C)=O)C3CC3)n2)C(C)(C)C)cc1	506041196	SIOZCWYGDUYSJW-UHFFFAOYSA-N	413.587	5.024	30	20	HKED	
N#CC1CCC(CNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1	508349452	OWDZDVJBYWZFCQ-BUNACBEFSA-N	400.881	5.045	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cc1	512392644	LOEJFJPAWOFTSX-NRFANRHFSA-N	404.407	5.217	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)cs1	513655855	UZTXEKSXKZREMO-KRWDZBQOSA-N	421.572	5.844	30	20	HKED	
N#Cc1ccc(NC(=O)CNc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1	515445050	DPBIUFDFBRAPAO-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1cccc(OCCCC#N)c1	515612400	ABLFFRDRCWDIMG-CYBMUJFWSA-N	409.338	5.795	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccc(OC)cc1	516261382	XWFFGQOJWSKLPL-XMMPIXPASA-N	404.485	5.322	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	517127971	ITUIUVCBBSILNG-UHFFFAOYSA-N	401.441	5.710	30	20	HKED	
CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	518137383	DENRSVROENNAHO-KRWDZBQOSA-N	420.538	5.165	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cnn(C(C)C)c2n1	518143387	INSXNONSZQVZNE-INIZCTEOSA-N	421.570	5.640	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3OC(F)(F)F)cc2)cc1	518390841	PESKCJRHGBNVPQ-UHFFFAOYSA-N	412.367	5.696	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	519401190	NBKPIOPOYRGZHZ-INIZCTEOSA-N	420.559	5.310	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CCOc2ccccc21	522958199	KZHSWOGHESYOTI-NRFANRHFSA-N	402.881	5.311	30	20	HKED	
C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	523628572	VZJSOQBHPZEBDH-BVZFJXPGSA-N	411.505	5.387	30	20	HKED	
N#Cc1ccc(-c2nnc(CSc3nnc(-c4cccc5ccccc45)o3)o2)cc1	525116975	ZTKPNJPTMRDDBQ-UHFFFAOYSA-N	411.446	5.104	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	525652692	DDBXIJQBRFXOPR-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
Cc1nccn1-c1ccc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1	531018278	VYXPVJFUNLBNNG-HXUWFJFHSA-N	422.532	5.482	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1	534167703	VKWVCXGBOPWDGN-AOMKIAJQSA-N	402.881	5.056	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cccc1-c1ccccn1	535095211	NLIPQWLICBQUTO-UHFFFAOYSA-N	419.484	5.760	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1	537418575	GVFMHIQZYBVGLD-UHFFFAOYSA-N	424.479	5.495	30	20	HKED	
COc1ccc2nc(C)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2c1	537666592	UGGKDXXNTZLKMX-INIZCTEOSA-N	407.882	5.305	30	20	HKED	
COc1cccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)[nH]2)c1	540079579	JNXBAGMXOBZNBN-SFHVURJKSA-N	414.490	5.007	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3nc(-c4ccccc4)c(Br)s3)cc2)CC1	540820861	FEVXKVRZARFMMT-UHFFFAOYSA-N	424.323	5.380	30	20	HKED	
CC(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	541203542	UGIYSHFISGJSKV-INIZCTEOSA-N	415.301	5.810	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1	554110675	PRTFKUVUCGXOGU-UHFFFAOYSA-N	410.465	5.204	30	20	HKED	
C=C[C@@](C)(CCOC)c1nc([C@H](Oc2ccc(Br)cc2)C(C)C)no1	554833226	OASYYXKDDMGALS-APWZRJJASA-N	409.324	5.088	30	20	HKED	
CC1(C2CC2)CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	554975916	MTBZWDHNBOBHAJ-UHFFFAOYSA-N	403.526	5.376	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCC(=O)c4ccccc43)cc2Cl)cc1	555787293	PQEGSGBRBYGMOJ-FQEVSTJZSA-N	416.864	5.703	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1	557728212	QQDWQVZMLHSBSA-QGZVFWFLSA-N	416.550	5.883	30	20	HKED	
N#CC1CCN(c2nnc(-c3ccc4ccccc4c3)n2CCc2ccccc2)CC1	558945508	WQWXATQJYIFIPH-UHFFFAOYSA-N	407.521	5.081	30	20	HKED	
CCCOc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	561408479	QCARYBROQFPVMA-INIZCTEOSA-N	413.543	5.200	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N[C@@H](CCC#N)c1ccccc1	570251104	MIRBCGFLCFTVQM-INIZCTEOSA-N	418.360	5.728	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(OCc2cccnc2)cc1	589504892	WZWIPLXMGLSBLC-MRXNPFEDSA-N	411.427	5.402	30	20	HKED	
CCc1cccc2c(C(=O)[C@@H](NCc3ccc(C#N)cc3F)c3ccccc3)c[nH]c12	591820001	RMHDWFVIINWLFD-VWLOTQADSA-N	411.480	5.455	30	20	HKED	
Cc1cc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C)c1OC(F)F	593661806	AQUVSFQPSMLXBV-VXGBXAGGSA-N	419.312	5.108	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CCC4)c12	603727455	RLSXXWGFIGFCRM-UHFFFAOYSA-N	420.538	5.363	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2OC2CCCC2)o1	603964260	OGSPATFOXBSMQM-UHFFFAOYSA-N	402.450	5.304	30	20	HKED	
CC(C)(C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	604027273	SPOTWZDHNOZRAH-UHFFFAOYSA-N	424.888	5.256	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4nccs4)c3)n2)cc1	606145725	JZAIPRHQZJLPNJ-SFHVURJKSA-N	417.515	5.857	30	20	HKED	
CC(C)c1ccc([C@@H](NCc2cccc(OCCCC#N)c2)c2cccs2)cc1	608860448	MCXGMERKPAHIKC-RUZDIDTESA-N	404.579	6.433	30	20	HKED	
COc1cccc(CN(CC(C)C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1	609056742	SSQPWGSPGWJEAJ-UHFFFAOYSA-N	418.493	5.037	30	20	HKED	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cc(C#N)ccc1OC(F)F	609066373	IBUSKAMSLQMCLL-HNNXBMFYSA-N	408.404	5.233	30	20	HKED	
CN(CCc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609079515	BJTBJXXFYGHRNE-UHFFFAOYSA-N	419.912	5.497	30	20	HKED	
CCN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1	609166499	DWTXAUOHTLJXAR-IBGZPJMESA-N	411.505	5.058	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	609463574	KGLAXSSEJKYGSC-QGZVFWFLSA-N	416.333	5.344	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2c(O)n1	609526287	NQHSORHGHBHFFQ-UHFFFAOYSA-N	411.436	5.107	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(F)cc1F	610015933	WAQUROWSGNXEEN-HXUWFJFHSA-N	408.408	5.297	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)[C@H](C)c1ccc(C#N)cc1	610170745	AVXHNQOKMWXWDK-MRXNPFEDSA-N	411.933	5.420	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccccc12	642281744	HWZFPTNLCPXULF-MRXNPFEDSA-N	422.893	5.846	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	679522881	GUSKBBGFXCFUQH-SCZZXKLOSA-N	407.276	5.527	30	20	HKED	
CCc1noc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1	679951574	POXSXQSMHBGXLI-GFCCVEGCSA-N	421.263	5.063	30	20	HKED	
Fc1cccc(F)c1-c1csc(CN2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)n1	681403722	CVBNEDHSCICOFB-RKDXNWHRSA-N	416.337	5.261	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	730421253	JMXYABXSNJCJMP-OAHLLOKOSA-N	411.458	5.272	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCc3nc(-c4cccs4)no3)cc2)cc1	732377539	QAGVFMOFELUBOY-UHFFFAOYSA-N	417.446	5.013	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Br)cc1Cl)c1c(Cl)cccc1Cl	733258690	ILICRRWVBWRHQT-ZDUSSCGKSA-N	418.505	5.404	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccncc1	734660057	KMJXWDBCSKVQTH-FCHUYYIVSA-N	409.892	5.580	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCS[C@H](c3ccccc3)C2)cc1	735567327	MBPZOXXVZIQIOL-RPWUZVMVSA-N	413.546	5.664	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCOc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	735592632	CGMHMTUUCJUKBU-IUODEOHRSA-N	416.424	5.448	30	20	HKED	
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	736159096	BDSSRHLZJYMHFP-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
C=C(Cl)CNC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	736970157	UQRFTLYPYIPHAH-UHFFFAOYSA-N	412.799	5.223	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)CC(F)F)cc1	741851993	HNSHLCDBOYIOBU-NVNXTCNLSA-N	412.457	5.289	30	20	HKED	
Cc1ccccc1C1CC(=NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1	743438686	ORPPDHQMJIXLET-UHFFFAOYSA-N	405.523	5.141	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c[nH]c4cc(C)ccc34)n2)cc1	745949732	WKJPGMSWNNTLIO-FQEVSTJZSA-N	415.518	5.418	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1	748725061	XDSHVVIOKYISPN-LUAWRHEFSA-N	407.926	5.419	30	20	HKED	
N#CCC[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1	748798806	BGUAIFBLQPESIB-QFIPXVFZSA-N	411.465	5.202	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c1cccc(Cl)c1	750683511	GNJKZESXLLENAS-LJEUOOAZSA-N	417.292	5.061	30	20	HKED	
CCSc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	752487748	KOHLHSCKPIRAPG-HNNXBMFYSA-N	414.502	5.619	30	20	HKED	
CC(C)COc1cccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	752814873	XANGTKZKTQHPIP-VWLOTQADSA-N	414.505	5.394	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NOc1ccccc1C(F)(F)F	754709014	HSGJSDFHHVMKFT-UHFFFAOYSA-N	411.786	5.464	30	20	HKED	
CCOc1cc(C=NOc2ccccc2C(F)(F)F)cc(Br)c1OC	754712771	SQUUSYAVKGPKOW-UHFFFAOYSA-N	418.209	5.288	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	759278161	BRZBXODUCDFHDL-CZUORRHYSA-N	412.461	5.152	30	20	HKED	
C#CCOc1ccc(NC(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1	759498208	OZLOPOGGTXFIFH-KRWDZBQOSA-N	405.523	5.355	30	20	HKED	
C=CC[C@@H](NC(=O)N1Cc2cccc(Br)c2C[C@@H]1CC)c1ccncc1	770625321	KPKVSLYESVMWSF-FXAWDEMLSA-N	414.347	5.008	30	20	HKED	
CCOc1ccc(-c2nc(CON=C(C)c3ccc(NC(=O)C4CC4)cc3)co2)cc1	772882750	JRZAABQSZHUCGB-UHFFFAOYSA-N	419.481	5.030	30	20	HKED	
C[C@@H](NCc1nc2cc(F)ccc2n1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	772995812	FFNJXRSVAOLUAD-SNVBAGLBSA-N	419.344	5.601	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(COc3ccccc3)cc2)c1	774140482	NUMQVBZJTLSONT-QFIPXVFZSA-N	415.493	5.268	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)C(c1ccccc1)c1ccccc1	777113549	CXDXCEZWVJNQKS-FQEVSTJZSA-N	411.549	5.152	30	20	HKED	
COc1cc(C[S@](=O)Cc2ccc(CF)cc2)ccc1OCc1cccc(C#N)c1	777545219	WSDUGKLUKJJANF-SSEXGKCCSA-N	423.509	5.064	30	20	HKED	
CCOCCOc1ccc(Br)cc1N[C@@H](C)c1ccc(C#N)c(F)c1	779183671	GBIHYSKSGKQAEQ-ZDUSSCGKSA-N	407.283	5.048	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1	780673672	YPNNLFAHXMBSKZ-RDTXWAMCSA-N	414.303	5.109	30	20	HKED	
Cc1cccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)c1	782523401	KENBQKXWYPBDKD-MOPGFXCFSA-N	408.505	5.996	30	20	HKED	
COCc1cc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC	782776961	DJQZJHJEPMIVFR-RTBURBONSA-N	400.522	5.792	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c[nH]c2ccccc12	786378362	WSXACYXNRWNUKX-ZFWWWQNUSA-N	421.472	5.940	30	20	HKED	
Cc1c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cnn1C(C)(C)C	787186911	PSYMBYVUXUXBNB-ZHACJKMWSA-N	411.509	5.090	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)cc1	796796084	GKIOIVPXCROQNP-LJQANCHMSA-N	403.482	5.283	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC=C(Br)C2)cc1Cl	799391889	BNWHBTBGEMKLLO-UHFFFAOYSA-N	417.690	5.129	30	20	HKED	
C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)nc1	803059623	UPFKEAJHTSNNSV-ZDUSSCGKSA-N	416.355	5.062	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3ccc(C#N)c(Cl)c3)n2)cc1	809432747	QCNUCQRCMXCANY-UHFFFAOYSA-N	410.861	5.199	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)cc1	809872706	LOYPJJOFDYLCIE-SHQCIBLASA-N	423.516	5.344	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1	810115345	WJTKQYVZKZXXBZ-QGZVFWFLSA-N	416.349	5.891	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1)c1cccc(Cl)c1	813220464	JFSHZLJLSXWWBS-QHCPKHFHSA-N	420.896	5.195	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@H]3OC(=O)c4ccccc43)c2C#N)C1	875452438	ZAUIGOUTWMUZCT-SCLBCKFNSA-N	408.523	5.011	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CSc3nc4ccccc4s3)cn2)c1	915174880	FWUPXDKDXLRWEK-UHFFFAOYSA-N	418.503	5.086	30	20	HKED	
N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)c1nc2ccccc2s1	916847948	YESCWRVUJQGOID-MRXNPFEDSA-N	413.340	5.648	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)sc21	916885284	RRYDITLAOVHOFI-MRXNPFEDSA-N	407.882	5.008	30	20	HKED	
C=CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916908707	NPNXTJUCAGGOQO-OAQYLSRUSA-N	412.445	5.005	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12	916915777	JHHMHCNBWJPDQK-QHCPKHFHSA-N	420.468	5.303	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1	917027133	XDURMGFVWWERMZ-SNGWPZLWSA-N	414.408	5.598	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(CC(C)C)cc2)cs1	917563927	SUXXVYPKHNIWSZ-KAMYIIQDSA-N	418.562	6.231	30	20	HKED	
C[C@@]1(C#N)CCCN(c2nnc(CCOc3ccccc3)n2CCCC2CCCC2)C1	1288982222	RWUNKSJRDQUOMK-VWLOTQADSA-N	421.589	5.000	30	20	HKED	
N#Cc1ccc(N(C(=O)c2ccc(-c3cccc(Cl)c3)nc2O)C2CCC2)cc1	1588021903	KWOPVTXLDLAMQW-UHFFFAOYSA-N	403.869	5.179	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1	1792174413	SLWCBDOTDIAOQA-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)C2	1792573157	BIAUETQXSJGYRV-JIKXHTODSA-N	414.634	5.224	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)CCCCC)CC1	1831468486	PFITUFDVFKRVFU-JTHBVZDNSA-N	402.623	5.016	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	25839476	RNARSNSPWYOKEV-UHFFFAOYSA-N	406.917	5.255	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c1	26142541	ALBVDKPMVAACSE-LLVKDONJSA-N	411.474	5.122	30	20	HKED	
C=CCn1c(SCc2cccc(OCC(F)(F)F)c2)nnc1-c1ccoc1C	59832600	JTODFOBKSVDFJR-UHFFFAOYSA-N	409.433	5.266	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	65680190	RGUYXXPLVYGWKH-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1F	97543255	DISZTCNFLMZQAE-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(NC(=O)c3cccs3)c2)sc2c1CCCC2	104878954	XMPXDROJQRUXKD-UHFFFAOYSA-N	407.520	5.065	30	20	HKED	
C[C@H](NC(=O)/C=C/c1ccccc1C#N)c1ccc(NC(=O)Nc2ccccc2)cc1	108607543	FPJAZUUVSRSXEK-QCUIPMNBSA-N	410.477	5.093	30	20	HKED	
COc1ccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)coc2c1	301764708	RKPIQPVPNWWFLW-SFHVURJKSA-N	422.893	5.637	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1[C@H](C)c1ccccc1	303398956	ZPDZALMIQOSVEM-RTBURBONSA-N	417.578	6.361	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1	303437951	GSLXLCUQVBLXGK-GOSISDBHSA-N	422.529	5.371	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)sc2ccc(C#N)cc12	428131696	YPTFEKMCFBWYMZ-HNNXBMFYSA-N	417.534	5.348	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)C2CC2)cc1	433745123	OJXSEGLVVJSMFI-UHFFFAOYSA-N	420.419	5.220	30	20	HKED	
Cc1c(-c2ccccc2)sc(NC(=O)NCCCCC#N)c1C(=O)N1CCCCC1	434113625	IUPIFRUHPJIQEF-UHFFFAOYSA-N	424.570	5.165	30	20	HKED	
CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)C2	434206864	BRZJAFBJKJLNQX-UHFFFAOYSA-N	413.477	5.339	30	20	HKED	
N#Cc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)c1	435997782	DCPFTPXSXSXUTC-SAPNQHFASA-N	406.445	5.224	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1	436348994	BKDSEAUHCIMIFJ-FPOVZHCZSA-N	421.953	5.304	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC4(CCCCC4)C3)cc2F)c1	437954187	MNWSIOSAEIUFNI-UHFFFAOYSA-N	407.489	5.464	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1F	438655890	MBJPWYRCNCKZGB-FQEVSTJZSA-N	419.456	6.232	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H](COCc1ccccc1)c1ccccc1)c1ccccc1	438862504	WYONJNBAUJXNOE-JWQCQUIFSA-N	413.521	5.289	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)c1	439688448	QTLINOSCTFYSBE-UHFFFAOYSA-N	406.873	5.366	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)o2)c1	439948981	HPCSTSFFEISWLZ-IBGZPJMESA-N	412.415	5.354	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c2ccccc21	443903831	UJAHZTOESHVLLA-UHFFFAOYSA-N	412.449	5.043	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444024931	SXJDQRJYEYPHDP-MRXNPFEDSA-N	422.344	5.680	30	20	HKED	
Cc1ccc2c(CCNC(=O)Nc3ccccc3SC[C@@H](C)C#N)cn(C)c2c1	444819570	SEUGJRUQRCDTQM-KRWDZBQOSA-N	406.555	5.103	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C	462241003	YCRROHCLMBJELA-KRWDZBQOSA-N	413.562	5.317	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCC(c2ccccc2)CC1	463109727	XIPGGYVAGHPDCD-UHFFFAOYSA-N	411.505	5.967	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2cc1OC(F)F)c1cc(C(F)(F)F)ccn1	464411233	YLUPZEVDSBJUSY-OAHLLOKOSA-N	406.310	5.345	30	20	HKED	
COc1cccc([C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c1	465661374	PTCIFVVESDTQSZ-MWTRTKDXSA-N	419.912	5.370	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C	466868944	UXEDGUOBLXLOIU-CYBMUJFWSA-N	404.860	5.137	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1	467041451	UKGJLGSJNYAPAD-ZDUSSCGKSA-N	408.955	5.291	30	20	HKED	
O=C(c1cc(C2CC2)nc2ccc(F)cc12)N(CCC(F)(F)F)CC(F)(F)F	468535584	IVPLBWPXLZBOHK-UHFFFAOYSA-N	408.317	5.208	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccccc4F)o3)ccc21	469173315	KPAPWUYVZNWBHL-UHFFFAOYSA-N	403.457	5.281	30	20	HKED	
CC(C)CCn1ncc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1C(C)C	469860806	UMSHJIRPKBZPMU-UHFFFAOYSA-N	405.546	5.563	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(F)ccc1Br	473765419	OIEHAUWPCRQCIB-UHFFFAOYSA-N	412.324	5.241	30	20	HKED	
O=C(Cc1ccc(F)cc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474261732	BZRSQDRNVPETLL-HNNXBMFYSA-N	411.292	5.336	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC(=O)OCC)c1ccc(F)cc1	475554774	JXINVVMWPKJILL-OAQYLSRUSA-N	412.505	5.494	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2	476095658	NOCKIUYTFMJSAN-UHFFFAOYSA-N	423.601	5.135	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	477755133	NYWSNKGSJZXEBA-HIFRSBDPSA-N	419.419	5.508	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(-c2ncc[nH]2)ccc1C	478011318	XTRQKHOJIZAIQY-UHFFFAOYSA-N	401.388	5.221	30	20	HKED	
CC(C)CN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1	480011609	QNFLTWGXVBOVRQ-SFHVURJKSA-N	420.513	5.006	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cccc(OCCCC#N)c1	480528849	SDITVZTWAKLBLI-CQSZACIVSA-N	419.294	5.088	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCc2cccnc21	480543733	XMKCWBZCSNMMFP-PXNSSMCTSA-N	408.571	5.655	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccccc1C	481373929	NXVYFKQNLPFPAL-INIZCTEOSA-N	424.595	5.281	30	20	HKED	
COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	482023109	AQMDCHKXCNYVMA-UHFFFAOYSA-N	406.825	5.043	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ncc(-c4ccccc4)cn3)cc2)cc1	484682092	SHJJQSDXEDLWIU-UHFFFAOYSA-N	406.445	5.254	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)N[C@H](CCCC#N)c3ccccc3)c2)c1C	487469817	GQXFBZDGSODUJW-XMMPIXPASA-N	400.526	5.217	30	20	HKED	
COc1ccc(-c2noc([C@H](C)Nc3ccc(Oc4cccc(C#N)c4)cc3)n2)cc1	489707651	AQEVYZLQSPONFD-INIZCTEOSA-N	412.449	5.582	30	20	HKED	
COc1ccc(CNCc2ccc(-c3ccccc3)c(C)c2)cc1OCCCC#N	494259012	GOFCPFFWWFSMPN-UHFFFAOYSA-N	400.522	5.643	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1cccc(NC(=O)c2ccccc2)c1	495546126	HJQLIOPQYWGHSI-GOSISDBHSA-N	419.550	5.016	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(F)F)c(F)c3)n2)cc1	497369011	ZFGOBYOEDREWFO-AWEZNQCLSA-N	418.396	5.049	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(C(C)C)no3)n2)o1	504563538	NRYPTHMHFRRYJS-UHFFFAOYSA-N	408.405	5.339	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccnc1	505455207	ICFFLSONMATUGC-UHFFFAOYSA-N	405.552	5.250	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)n2)cc1	505466271	DZXRVWLISXMPAW-CQSZACIVSA-N	402.306	5.671	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)o2)cc1	505987326	QOYUQOXTLUMEIC-GOSISDBHSA-N	412.367	5.163	30	20	HKED	
C[C@H](CNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N)c1ccccc1	510174935	ZGDVJZJURWXWNL-QZTJIDSGSA-N	401.535	5.021	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(COc2cccc(F)c2)c1	510484092	WGSNXJQYADVCID-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)ccc1OCC(F)(F)F	511620400	NTJDUDQUDSHUER-QGZVFWFLSA-N	423.822	5.522	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1	511893565	ZFBIRKDDSAOZNW-WDEREUQCSA-N	410.383	5.628	30	20	HKED	
CN(C(=O)c1cccc(CC#N)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	513401934	JOXYKFLOWOHIMP-UHFFFAOYSA-N	411.383	5.235	30	20	HKED	
CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)s1	515719510	QIUBYXCQPPQDBW-UHFFFAOYSA-N	420.519	5.116	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1	517493321	BAQGQNFRKRVPJX-HXUWFJFHSA-N	407.901	5.216	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)cc2)c1	517511863	VNWKOGRSZVVUEQ-XMMPIXPASA-N	414.461	5.161	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1	518140420	POZVKBFDIOQDRE-ZDUSSCGKSA-N	418.444	5.619	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	518239615	HWKVYDJUKSLRFR-ZDUSSCGKSA-N	424.507	5.365	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2cccnc2OC2CCCC2)c1	518265549	ZKBHMYBUTZWWON-UHFFFAOYSA-N	413.521	5.143	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H]4CCCN4Cc4ccccc43)cc2)cc1	518373614	SRMUBJJYTRHTPZ-HSZRJFAPSA-N	423.516	5.170	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519026779	YOOLGWTXUBFFSL-OAHLLOKOSA-N	419.462	5.378	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(OC(F)(F)F)cc3)c2)c1	520297434	CRMZIYUHXSMSJJ-UHFFFAOYSA-N	412.411	5.326	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C12CC3CC(CC(C3)C1)C2	524421449	VJTQAESDMWGZNJ-UHFFFAOYSA-N	404.510	5.161	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2F)c1	524459722	QZGCGURHKDMOLO-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccc(F)cc2)O1	525093166	WUVIEYVHVVXPRG-BXKMTCNYSA-N	416.452	5.092	30	20	HKED	
Cc1csc(N(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C2CC2)n1	534172331	WNMOFXHDQGONOL-UHFFFAOYSA-N	409.898	5.578	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)OCC	534420648	FESADCIHMJJVRM-KRWDZBQOSA-N	412.383	5.342	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	537436247	ZCIPYVWTMNIUCU-SCLBCKFNSA-N	403.910	5.091	30	20	HKED	
CC(C)[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C(F)(F)F)cc1	540424920	HWYIRNHLYKJYOY-LJQANCHMSA-N	400.404	5.114	30	20	HKED	
C[C@@]1(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCCO1	542159424	DWOOUDOTYGOHIN-AAEUAGOBSA-N	423.275	5.013	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)NCc2ccc(C#N)cc2)c1	542415979	MQGPWUMEAKRAHK-DQEYMECFSA-N	411.505	5.007	30	20	HKED	
COc1cc(Br)ccc1CCC(=O)Nc1ccccc1SCCC#N	543899906	AEHSBGXLBHUTLN-UHFFFAOYSA-N	419.344	5.035	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ncsc2C(F)(F)F)cc1	548952148	GHGDTKVNYLAZIP-UHFFFAOYSA-N	417.412	5.059	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	554179202	HPPLKGPIJNDKHU-UHFFFAOYSA-N	421.423	5.234	30	20	HKED	
N#CC[C@H](Cc1nc(-c2ccc(COCC(F)(F)F)cc2)no1)c1ccccc1	554790401	GRHNDGUKDBMVFA-GOSISDBHSA-N	401.388	5.055	30	20	HKED	
CCCCc1ccc(NC(=O)Cc2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1	582990074	JKDPTGPUTPUCIM-UHFFFAOYSA-N	402.498	5.062	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)OCc1ccccc1	603618957	BXNTWOJVZPOXNP-IBGZPJMESA-N	402.469	5.144	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)COc2ccc(Cl)c(C(F)(F)F)c2)c1C	603905310	CEXIKKHYSJHIBA-UHFFFAOYSA-N	410.823	5.301	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H]1c1c(F)cccc1F	604699461	SWRGPFAMXOCYJB-KNZXXDILSA-N	415.324	5.094	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(c2c[nH]c3ncccc23)CC1	605408531	SOFRJRXQTXEBKZ-UHFFFAOYSA-N	420.516	5.374	30	20	HKED	
O=C(Nc1cc(F)c(F)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	607401619	KQNWTFSPIQMGEI-BQBZGAKWSA-N	408.264	5.135	30	20	HKED	
CCCCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC	608918498	NRDXFLPCIITYHI-LJQANCHMSA-N	423.557	5.427	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C2CC2)o1	609057527	JMELAKIWMBBKCP-ZHRRBRCNSA-N	416.477	5.251	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)on1	609079161	NLBMXBNYPDSFEN-JOCHJYFZSA-N	416.481	5.111	30	20	HKED	
CO[C@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1	609729531	IOTWLGDJFZWDDN-JOCHJYFZSA-N	406.869	5.121	30	20	HKED	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)Cc1cc(C#N)ccc1F)CCO2	610215960	RKKSGWVTGWQLHQ-XMMPIXPASA-N	402.469	5.232	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	613291192	WCXVGJJMEGMSDC-QHCPKHFHSA-N	404.469	5.573	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OC(C)C	613402855	JFDLWAGMUNLSCF-CQSZACIVSA-N	400.887	5.236	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c2ccccc21	618188082	DJIDTWZBHWZDSY-HXUWFJFHSA-N	410.521	5.446	30	20	HKED	
O=C(NCc1ccnc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	622637602	BADBYHTYBDKMST-UHFFFAOYSA-N	416.243	5.068	30	20	HKED	
CCN(C(=O)c1oc2ccc(CCC(C)=O)cc2c1C)[C@@H](C)c1ccc(C#N)cc1	642066443	CGRUDGQSQPJEOB-SFHVURJKSA-N	402.494	5.358	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc(-c3ccccc3)nc21	642281671	ZTMGILZVPMQWQI-GOSISDBHSA-N	421.460	5.310	30	20	HKED	
CN(C(=O)[C@@H]1Cc2ccc(F)cc21)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	684637778	WVXNILLSGZMYNN-HZPDHXFCSA-N	405.313	5.246	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1	727305479	OVWWHHCQUQGSTG-JOCHJYFZSA-N	420.434	6.031	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl	728766755	JCSLKUVRTSFWSD-GOSISDBHSA-N	404.853	5.402	30	20	HKED	
CCOc1ccc(OCC)c(NC(=S)Nc2ccccc2S[C@H](C)CC#N)c1	731318907	FNOPMQOZOIWOGO-OAHLLOKOSA-N	415.584	5.687	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	732494836	OIDCWVKGDIUXCY-GUYCJALGSA-N	420.506	5.077	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	732495083	POGYUMLXKXMNLR-DEOSSOPVSA-N	423.472	5.069	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cnn(C(C)C)c1	732713688	FJDRZELSVHSHLS-HJWRWDBZSA-N	416.344	5.555	30	20	HKED	
C=C(C)COc1cc(/C=C2\SC(=S)N(C(C3CC3)C3CC3)C2=O)ccc1OC	734880754	RKVXOMFRQSRYCS-ODLFYWEKSA-N	415.580	5.040	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(F)c1	734964496	AZPUWOHPWPURGG-ABAIWWIYSA-N	406.404	5.824	30	20	HKED	
C=CCCCN(C)Cn1nc(-c2cccnc2)n(-c2ccccc2C(C)C)c1=S	736582908	KZKUEWLXLFVKHQ-UHFFFAOYSA-N	407.587	5.444	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	738896308	NTWXSXFPPGRKAL-XUZZJYLKSA-N	411.505	5.372	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(C)cc1	739143536	QONCUMXBPUPXGU-YJBOKZPZSA-N	419.550	5.344	30	20	HKED	
CC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(OC)cc1	740060614	VVLUOAKVYSGPLM-OAQYLSRUSA-N	405.523	5.246	30	20	HKED	
O=C(/C=C/c1cc2c(cc1Br)OCO2)c1ccc(-c2ccncc2)cc1	745990525	SECKTGJQBNBTQG-AATRIKPKSA-N	408.251	5.136	30	20	HKED	
Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1nc(C(C)C)cs1	747196948	QYYZKNIUHFKJSO-AWEZNQCLSA-N	416.344	5.169	30	20	HKED	
Oc1ccc(-c2ccccc2)cc1C=Nn1c(S)nnc1SCc1ccccc1	749443937	LFLSQLLULGWDBY-UHFFFAOYSA-N	418.547	5.114	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)nc12	750725381	SQIMXNSIHBXQCR-JKNJVXJCSA-N	402.454	5.024	30	20	HKED	
COc1cc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)c([N+](=O)[O-])cc1OC	750917187	RKNINOAYFKRSQQ-GHXNOFRVSA-N	421.421	5.139	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Cc2ccccc2CC#N)c1	752920593	XRWZTUBHPAGJOR-AHKZPQOWSA-N	410.517	5.061	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2ccc(Cl)c(Cl)c2)cc1	753538191	IJGGZHVSAZXIJW-KRWDZBQOSA-N	419.308	5.062	30	20	HKED	
N#CCOc1cccc(CC(=O)Oc2ccccc2-c2nc3ccccc3s2)c1	760356165	BNQJXZSUAJGEHM-UHFFFAOYSA-N	400.459	5.014	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccc(C)cc2)c1=S	764877959	PMGKEEZYWPZVHA-NRFANRHFSA-N	405.571	5.155	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@@H](CC(F)(F)F)C2)c1=S	766114266	BTODTKMEANSTBV-ZDUSSCGKSA-N	416.900	5.152	30	20	HKED	
N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nccc2ccccc12	792094161	DGPVRPFHBMEVAP-LVSMMTLPSA-N	400.787	5.710	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1cnc2ccccc2n1	792114937	OKCZJLMZABKGOG-ZACQAIPSSA-N	410.502	5.166	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)cc1	795501897	BXIVXUNCKPRHGR-HXUWFJFHSA-N	412.367	5.041	30	20	HKED	
CCOc1ccc(-c2nc(COC(=O)C[C@@H](CC#N)c3ccccc3)cs2)cc1	795984787	ZCNBBTGGQRBYER-LJQANCHMSA-N	406.507	5.340	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	796466148	MPFLONKGUGZWDA-HSZRJFAPSA-N	421.500	5.513	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1	796797172	LJYMNIRHXWJVBA-GOSISDBHSA-N	421.884	5.382	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(C#N)cc2C(F)(F)F)cc1	799492111	MSZPRSUNBHUSFT-UHFFFAOYSA-N	417.435	5.287	30	20	HKED	
COc1cc(COC(=O)[C@@H]2CCCC(F)(F)C2)ccc1OCc1cccc(C#N)c1	800284510	ILHHEAHKLBSZOR-LJQANCHMSA-N	415.436	5.015	30	20	HKED	
CC[C@@H]1[C@@H](C(=O)Nc2ccccc2S[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C	810370244	CKNVJZUFAIWXEU-XYJFISCASA-N	417.575	5.055	30	20	HKED	
O=C(Nc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1)c1ccccc1Cl	915917918	VAQGFOPPJWHPCN-UHFFFAOYSA-N	418.806	5.452	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1	916955539	ROXWHKYKDPRJPP-MGPUTAFESA-N	404.441	5.560	30	20	HKED	
C=C(C)CN1C(=O)/C(=C\c2csc(COc3ccc(Cl)cc3)n2)SC1=S	918783267	XVQBPHULVDCVAG-VIZOYTHASA-N	422.984	5.153	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1	919868673	XFXSRJUSCAPYDN-UHFFFAOYSA-N	420.456	5.365	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1	921282793	OIEXEHUMWGCRDQ-VLGSPTGOSA-N	400.453	5.513	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COC3CCCCC3)CCC2)cc1	1789449413	QEVPQSJQOZJFIK-HSZRJFAPSA-N	424.585	5.238	30	20	HKED	
C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCCCC(C)(C)C)[nH]n2)C1	1814397542	PXKCBLMLUQQJJM-FQEVSTJZSA-N	414.594	5.365	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2)CC1	1823753849	KJRAGSBJUAGVNN-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1	1831376301	NTILHARZAWBSCM-XMSQKQJNSA-N	416.993	5.094	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(OC)c2)cc1	11259444	XFIFNWDHUAWJEV-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccccc2Cl)cc1	22730356	VINJZVMSFNRQRJ-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
COc1ccc(NC(=O)[C@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Cl	30449730	SSIGQPHJFCGHKD-QMHKHESXSA-N	419.912	5.251	30	20	HKED	
N#CCCN(C(=O)CSc1nc2cc(Cl)ccc2o1)c1cccc(Cl)c1	61420024	SMJZZZWQIJQFAY-UHFFFAOYSA-N	406.294	5.174	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)oc2c1	64682971	WBFZDIYDPRHIPU-GOSISDBHSA-N	408.413	5.740	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1	96995006	LICOMUVKWMZLLA-UHFFFAOYSA-N	420.563	5.265	30	20	HKED	
Cc1ccc(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c(C)c1	115427341	PDPCSFANNTTXOF-UHFFFAOYSA-N	407.539	5.356	30	20	HKED	
N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](Cc1ccccn1)c1ccc(Br)cc1	302688696	RBXQMFNOPNHIIB-FQEVSTJZSA-N	423.270	5.020	30	20	HKED	
N#Cc1c(F)cccc1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	303123200	MVGSUGGLRQRJOH-UHFFFAOYSA-N	407.861	5.145	30	20	HKED	
C[C@H](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1	303677086	QSKYREKLLIXDTC-KOSHJBKYSA-N	402.469	5.279	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F	303818263	DJALEKUOTYAWAA-LSDHHAIUSA-N	406.473	6.089	30	20	HKED	
C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ncc(Br)cc1F	427524781	LTGYARGMCQTJCF-CQSZACIVSA-N	410.290	5.373	30	20	HKED	
COc1cccc(C(=O)c2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2)c1	430588458	DVWMBWXCICTYET-LJQANCHMSA-N	418.518	5.170	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1	431386146	XZOLUSSWCVWVQW-CYFREDJKSA-N	414.509	5.669	30	20	HKED	
N#Cc1c(F)ccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)c1Cl	431557008	LTAZTRDKMNHQGA-YRNVUSSQSA-N	419.765	5.024	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccccc1	431876151	AAOFWOYGFHYQJH-QFIPXVFZSA-N	418.472	5.247	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1	436345274	YLLTUSWECLINFL-DDUZABMNSA-N	401.482	5.427	30	20	HKED	
CCS[C@H]1CC[C@H](N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	437101354	XMKVYZJGWHEPAZ-PMACEKPBSA-N	410.608	5.597	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NCc1cc(C#N)ccc1F	437957596	QTGQGEKDBAKKSE-UHFFFAOYSA-N	423.875	5.560	30	20	HKED	
COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1	438045382	BEDCJVIGBIOZQX-AZUAARDMSA-N	423.582	5.434	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	438633040	FNSKGYUTPHQBBO-SNVBAGLBSA-N	423.345	5.205	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1C	442037632	XUDHAVMLUWLXFG-JTQLQIEISA-N	403.223	5.031	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c2ccccc21	444266668	JFOGQKXKSFQXDL-NRFANRHFSA-N	413.443	5.239	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccccc1	446366451	JRQGARKEQRGHKZ-SJORKVTESA-N	413.802	5.427	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3cc4cc(Br)cc(C)c4o3)[nH]c12	446768657	ZETJQAFWUIUQSA-AWEZNQCLSA-N	408.255	5.179	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1	462135259	PNTQNBMCQXXALY-INIZCTEOSA-N	412.468	5.302	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@@H](C)c2cccc(C#N)c2)c1	462596970	XJLWQSRASMPIIB-AFWDCEBSSA-N	410.517	5.428	30	20	HKED	
C=CCc1cc(CN[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc(OC)c1O	463711467	RNYFDAZMFDTCLD-LJQANCHMSA-N	424.541	5.559	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccc(C#N)cc1	465650676	DVFJOOVEQRLIBB-HNNXBMFYSA-N	407.420	5.189	30	20	HKED	
CCc1ccc([C@H](COC)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1	466075801	YIECJMDZGREQME-FQEVSTJZSA-N	405.454	5.015	30	20	HKED	
Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1ncccc1OCCCC#N	466606234	GXECAWCLOBGWHD-UHFFFAOYSA-N	414.509	5.307	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccn2)cc1	467963756	OYEFHBPUGJITHR-HXUWFJFHSA-N	410.399	5.192	30	20	HKED	
Cc1cc2c(cc1C)[C@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCS2	469289270	UOUFYJXMZJYNDR-OAQYLSRUSA-N	405.567	5.535	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)c(N)c3Cl)c2)c1	469507302	VDROQGIGBAHQHI-UHFFFAOYSA-N	412.276	5.279	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CCCCOc1cccc(C#N)c1	470308882	NWFTYQJKNJXPIS-HXUWFJFHSA-N	404.432	5.226	30	20	HKED	
COc1cc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC	470337106	MXQGMKBUAGEYJH-UHFFFAOYSA-N	406.413	5.068	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3cccc(F)c3)c3cccc(Cl)c3)o2)cc1	471647602	QOQXNWNUJOXIOS-QFIPXVFZSA-N	418.859	5.280	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1	475580421	BYVIZKMVHMHYFE-UHFFFAOYSA-N	409.549	5.464	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1	476170688	XMLUSWRYKKMINS-UHFFFAOYSA-N	414.431	5.390	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccccc1	476704402	SLOIMWOUQKLLRH-ICSRJNTNSA-N	419.525	5.530	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1	476792096	ASAFHNGZSDDYCD-OAQYLSRUSA-N	405.586	5.984	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cc1	480633428	FZTNTBABZHTMDQ-BXKMTCNYSA-N	413.477	5.584	30	20	HKED	
CC(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	481507901	JOALMLLSZLXOQA-UHFFFAOYSA-N	404.853	5.246	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(F)c(F)c1	483277270	CUXULOOJPYJMGP-SFTDATJTSA-N	414.500	5.270	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Br)c(C)c1F	483770272	CAKVIYBQPFVSNH-UHFFFAOYSA-N	423.330	5.284	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@H](c1ccc(F)cc1)C(F)(F)F	485223988	BOJDXFZUPMUIPA-LSDHHAIUSA-N	408.317	5.422	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(F)cc1Br	497450676	MHPMNHYSWUJJQH-HNAYVOBHSA-N	416.294	5.200	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	497512206	OIPVIJZMLCSNOZ-LJQANCHMSA-N	420.900	5.321	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1	499408496	PXVFAMCWNGIXSF-OAQYLSRUSA-N	421.294	5.023	30	20	HKED	
CCOc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1	503492000	IFTAGSJAWKTPCS-UHFFFAOYSA-N	415.415	5.297	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	503579882	SRJINGRWCUJLTN-GOSISDBHSA-N	405.523	5.049	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cn3ccsc3n2)cc1Cl	503960990	DPYSNBWWSRTTPG-GOSISDBHSA-N	421.913	5.026	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1	505010331	FNZWSBOCHAQYJS-UHFFFAOYSA-N	403.570	5.325	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1	505626131	OSFKJPPPRUEAPP-INIZCTEOSA-N	404.491	5.478	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	505938351	LSXHXXUUIHEZIT-KRWDZBQOSA-N	415.440	5.056	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1C(F)(F)F	506576930	KUNRPYUTSZNRLF-GOSISDBHSA-N	417.435	5.088	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC1	506660717	KGEIJXBOVCKWNW-UHFFFAOYSA-N	404.392	5.050	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F	506899979	SXYVOIPUAUNUFP-UHFFFAOYSA-N	404.841	5.563	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1	507832310	ZQDJTQLLZAVGBH-AWEZNQCLSA-N	423.419	5.076	30	20	HKED	
Cc1c(C#N)cccc1C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1	509925029	JIPHDSPPLZCAEB-UHFFFAOYSA-N	405.473	5.146	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C(C)C	511497978	MDUVLEAQYPVRQB-UHFFFAOYSA-N	401.466	5.565	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cccnc1Sc1ccc(C)cc1C	512852632	WSWNOBHOLMOXJC-UHFFFAOYSA-N	403.507	5.372	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(CCc2cccc(F)c2)C2CC2)c1	513258336	ZBIQZQWSPVXCNU-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
N#CCc1ccc(NC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)cc1	517355506	MTINILRSLFEQBW-NRFANRHFSA-N	410.901	6.017	30	20	HKED	
C=CCOc1ccc(CNCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1Cl	517534544	YOWQYLRBFFMTAO-UHFFFAOYSA-N	420.940	5.755	30	20	HKED	
Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccoc2)n1	518074685	UBAPWUHBRBDOST-IBGZPJMESA-N	416.868	5.241	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1	518239951	OXPWZGAGDFPVOA-HNNXBMFYSA-N	423.563	5.855	30	20	HKED	
CCCCCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	518754108	DEHFWXMAZDYGRT-GOSISDBHSA-N	413.562	6.444	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c12	521719699	JKPWSNBLKQXVJX-UHFFFAOYSA-N	417.469	5.116	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c1	522695542	SZWDHEUTKOHIGB-GOSISDBHSA-N	412.836	5.370	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1	522746878	ZKSKWUXWXJQZHA-UHFFFAOYSA-N	402.381	5.497	30	20	HKED	
COc1ccccc1C1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	522840717	CIGPFDAZXUOHSJ-FQEVSTJZSA-N	416.908	5.674	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1	523611026	WEXMFUULHDDRDU-UHFFFAOYSA-N	404.297	5.242	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	524127190	HNQKCSYGXVMULL-HKUYNNGSSA-N	410.930	5.725	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1[nH]c2ccccc2c1Cl	524141386	LORLZSUFYWFTBB-UHFFFAOYSA-N	415.880	5.833	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCCc4cc(F)cc(F)c43)c2)c1	524505679	KALJNYVIJICFLI-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	524706703	FBHJRQAHYLEGCQ-HXUWFJFHSA-N	421.859	5.345	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c(F)c1	531024693	UKYHDZILHFUJIV-UHFFFAOYSA-N	423.366	5.155	30	20	HKED	
COc1ccc(CNc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OCCCC#N	532890568	KXYZZSRRRGQFKB-HXUWFJFHSA-N	407.558	5.222	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	534021432	YTEADRKEKGTJFH-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cnc([C@H]2CCCO2)s1	536324687	MJPAUSGTSPPJLQ-LJQANCHMSA-N	423.925	5.367	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccc(C(F)(F)F)cc1	536842277	YSSVULBMJCRZSO-QVKFZJNVSA-N	420.475	6.031	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1	538982183	NURYBPSVDKVGHB-LJQANCHMSA-N	410.395	5.656	30	20	HKED	
Fc1cccc(-c2nc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)co2)c1	539421592	OZMWIZSZXPXGEQ-MRXNPFEDSA-N	418.312	5.893	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1	539755628	YODMAMRYTBSVCO-PXDATVDWSA-N	412.489	5.248	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	541099521	XDOZBHGCUVEZGR-UHFFFAOYSA-N	421.476	5.151	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N3CCc4ccc(C#N)cc43)c3cnn(C(C)C)c3n2)cc1	550520148	JKJBRGXHWVSXON-UHFFFAOYSA-N	421.504	5.062	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC(=O)c2ccccc21	550707601	SKDNGTOAUNYGQF-QHCPKHFHSA-N	412.464	5.299	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1SC[C@H](C)C#N	558338941	IJHLTBWJADDCGP-OPYAIIAOSA-N	423.582	5.952	30	20	HKED	
N#CC1(N(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C2CC2)CCC1	560099811	DJWWSSLXQNRFGO-UHFFFAOYSA-N	411.845	5.091	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)c(Br)c1	562880788	RNOAIUVSTBTPBT-UHFFFAOYSA-N	405.340	5.145	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCc3c(OC(F)F)cccc32)c2ccccc21	570312332	YDZOJIKGOKHJPG-UHFFFAOYSA-N	409.436	5.139	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)s1	577028632	GTEQASVXVDXMMH-UHFFFAOYSA-N	407.495	5.249	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2csc(-c3ccccc3)n2)c1	588079960	WHWCJEUQOIBJPR-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnn(C(C)(C)C)c1C	603755077	OEZTZMDIKDLGST-UHFFFAOYSA-N	404.489	5.113	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)ccc21	604690826	GENOSVOYSWIDPQ-INIZCTEOSA-N	422.410	5.674	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)cn2)cc1	609126379	TYLHVUHIPSIUQC-LJQANCHMSA-N	411.383	5.420	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(OC(F)F)c(F)c3)cc2)cc1	609501477	SBPXGLYBDAWQFB-UHFFFAOYSA-N	412.367	5.538	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1	609507887	JGRZASKYUIMHHM-GOSISDBHSA-N	406.869	5.013	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1(c2ccccc2F)CC1	609929118	VWSUCXQBFMUBBZ-UHFFFAOYSA-N	415.468	5.396	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(-c4ccncc4)cc3)c2)c1	610089325	NBRYLUBVLRYXKX-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H](C)c1cccc(C#N)c1	610359399	INSBRRKJTSOQCV-IBGZPJMESA-N	406.489	5.210	30	20	HKED	
N#Cc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(Cl)c1	610877551	UHPFHUPPYLYMNC-UWVGGRQHSA-N	413.749	5.243	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(-c2ccccc2)cs1	613391975	AUPLQRBPHZYAIR-QGZVFWFLSA-N	414.511	5.921	30	20	HKED	
Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	614407197	HRXVEDHKKOVRRN-SFHVURJKSA-N	401.485	5.038	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cc2c(C(F)(F)F)cc(O)nc2o1	641907112	CIXBSWFZOWOAET-UHFFFAOYSA-N	422.362	5.204	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2n1C(F)F	642282467	UPOXKLDAUBKCSQ-CQSZACIVSA-N	411.408	5.789	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1F	726860028	WRJQHOHQSACIEO-OCCSQVGLSA-N	400.425	5.597	30	20	HKED	
COc1ccc2c(c1)CCCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)C2	728687784	MMHOXPVPICGBFQ-RUZDIDTESA-N	411.505	5.331	30	20	HKED	
CCc1cccc2c(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c[nH]c12	732418374	RLAAXNHLZOFZCO-VWLOTQADSA-N	422.532	5.750	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(Cc2ccc(OC)cc2)C2CC2)c1=S	732472875	JQWGKDJUBKSVOA-UHFFFAOYSA-N	424.545	5.037	30	20	HKED	
Cn1nc(-c2ccccc2)c(C=NNc2ccc(C#N)c(C(F)(F)F)c2)c1Cl	734748745	UAKCOJDTZJHBTD-UHFFFAOYSA-N	403.795	5.077	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740058661	ADLYTKBSCFSTCN-OAQYLSRUSA-N	417.534	5.342	30	20	HKED	
Fc1cccc(-c2nnc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1	741845779	FDOHZPBHQJWPGF-UHFFFAOYSA-N	406.257	5.492	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3ccc4ccccc4n3)SC2=S)cc1Cl	743283326	ZNHPOYDWKIHFCM-NVMNQCDNSA-N	407.907	5.166	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc(F)cc1F)c1nc2cc(Cl)ccc2s1	743447230	LOFVSOYZQIRHTF-CYBMUJFWSA-N	406.841	5.263	30	20	HKED	
CCOc1cccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1	743538214	JQZPVUHFHKFASZ-RAXLEYEMSA-N	406.507	5.431	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)C3(c4ccc(Cl)cc4)CCCCC3)o2)c1	744912494	PUMRVPFVWDTSDK-UHFFFAOYSA-N	421.884	5.207	30	20	HKED	
C=C(C)COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC	747033455	GCKWRQPFPBQIRR-UDWIEESQSA-N	408.523	5.159	30	20	HKED	
CC[C@@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	749025432	MOOSEGUPKOUMTK-IUODEOHRSA-N	422.403	5.488	30	20	HKED	
CCOc1cc(C=NOc2ccccc2C(F)(F)F)ccc1OCC(F)(F)F	754712853	VSTFABCVUYVRJK-UHFFFAOYSA-N	407.310	5.458	30	20	HKED	
C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)c1	756588994	IAVDRMDCDFCYNW-UHFFFAOYSA-N	403.551	5.452	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	758041142	OHLAGRXHANQTAJ-UHFFFAOYSA-N	406.489	5.692	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnc(Cl)c1Br	760049568	BPFJJHKZFPTTBY-UHFFFAOYSA-N	421.726	5.120	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Br)c(Cl)c1	763469299	DIBUAVQRWTUEPA-ZDUSSCGKSA-N	415.674	5.098	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)[nH]c12	770541828	GZQIRHGGJGMKGX-UWZYDCLUSA-N	403.791	5.347	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)Nc2ccc(OC(C)C)c(C#N)c2)on1	772149394	ZQMBFSFOEHWPRC-UHFFFAOYSA-N	407.495	5.187	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)C1(C)C	772662673	YMAKJKUITGUXFF-PKTZIBPZSA-N	403.522	5.071	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(OC)c3ccccc23)ccc1OC	772977815	CIGXQLYNZYCIHD-HKUYNNGSSA-N	404.510	5.389	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ncc(Br)cc1F	777422693	GZEIZLHMCDLRHQ-UHFFFAOYSA-N	412.477	5.175	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(Br)s2)C2CC2)c1	784042801	NMBZEWHNVHACJT-BEFAXECRSA-N	405.361	5.432	30	20	HKED	
N#CCC[C@H](NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	784392236	MOARLECISXAMHU-QUCCMNQESA-N	401.432	5.249	30	20	HKED	
O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1NC(=O)c1cccs1	790564636	IJUYCXNGLGKURW-UHFFFAOYSA-N	414.408	5.009	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@@H](C#N)c1nccc2ccccc12)c1ccccc1	792095058	UGOOZWPAJRUIAB-ICBIFTLVSA-N	404.469	5.660	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)s1	797573356	RFDOZVYQERJURB-AWEZNQCLSA-N	413.930	5.558	30	20	HKED	
CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1cc(Cl)cc(Cl)c1O	806146154	KQUCXHCEFWUGRV-QAPCUYQASA-N	423.340	5.629	30	20	HKED	
CC(=O)N(c1nc(/C=C2/C(=O)c3ccccc3[C@H]2C)cs1)c1ccc(F)cc1F	809159313	NIMGOHGXUGZMNZ-SGEFVQMOSA-N	410.445	5.489	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1	813217857	JXEZFWUEHRDXFZ-ACSPXDACSA-N	422.406	5.526	30	20	HKED	
CC(C)(C)OC(=O)N1CC[C@@H](NC2CCC(C#N)(c3ccccc3)CC2)CC12CCC2	813882386	XVJNBFVXBXCWKP-SMCIBBBJSA-N	423.601	5.302	30	20	HKED	
CO[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	815911547	FHVDTUALIXTVOE-JKIFEVAISA-N	409.338	5.498	30	20	HKED	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N(O)Cc1cccc2ccccc12	901370331	DXADZUDJXKLRBQ-UHFFFAOYSA-N	406.869	5.499	30	20	HKED	
CCOc1cc(CN(C)Cc2c(F)c(F)c(F)c(F)c2F)ccc1OC(F)F	914789715	FIWBZEUHLZXJQD-UHFFFAOYSA-N	411.317	5.014	30	20	HKED	
C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)C(C)C	915284522	PJCIECRHYKTBIZ-UHFFFAOYSA-N	415.331	5.046	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccc3ccccc3c2)cc1	915350303	QIFSNSYAUYCCRF-SANMLTNESA-N	421.500	5.696	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915359013	HXTMCFMBZMWZAS-KBMIEXCESA-N	413.521	6.012	30	20	HKED	
Cc1ccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C	916026308	WOBWBKBWMMAOEK-UHFFFAOYSA-N	401.535	5.757	30	20	HKED	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1Br	916140194	FNMMIKGICYBCAE-QPJJXVBHSA-N	411.049	5.016	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)C(=O)Nc1ccccc1	916900578	RIUCHGHWWVZTBD-HXUWFJFHSA-N	410.901	5.114	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C2CCCCC2)cc1	916902260	XATPLGYSFZDNEF-LJQANCHMSA-N	424.928	5.666	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917042424	CAYBLGWEZJRJGG-AWEZNQCLSA-N	408.832	5.778	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1	917044723	UWPOYKQUVDPPOD-VGVVRCBHSA-N	406.816	5.858	30	20	HKED	
CC(C)(C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920141064	HBEGJVRXPFOHKK-GOSISDBHSA-N	415.518	5.235	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1	920880102	XJLUHJHAIRSYDP-AWEZNQCLSA-N	416.811	5.121	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)C1	1828006160	LNXGZXOXQXJCEQ-VWLOTQADSA-N	416.565	5.039	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(F)cc1	24014535	FHWDSDOHWGIZJU-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
C=CCN(C(=O)c1cc2cc(OC)ccc2nc1C)c1nc(-c2ccccc2)cs1	25802411	LGTRJLCEUIEXLM-UHFFFAOYSA-N	415.518	5.508	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	29013319	RWFBYOCQQWGRIP-LBPRGKRZSA-N	417.412	5.107	30	20	HKED	
Cc1cc(CN(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F	56881770	CBSADDBJFIEDDG-MRXNPFEDSA-N	419.447	5.019	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-n3cccn3)c2)cc1	63805247	DRWCIWIBCYCXBW-UHFFFAOYSA-N	410.502	5.289	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1	149512848	PXRXRZKPSXHGQV-UHFFFAOYSA-N	417.943	5.002	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1	195662819	YITXLEVPBYDPFC-DYVFJYSZSA-N	415.440	5.594	30	20	HKED	
N#CCCCOc1cccc(CNCc2ccc(-c3nc4ccccc4s3)o2)c1	237827906	ATLMLUMKGLYEAW-UHFFFAOYSA-N	403.507	5.529	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)cc1	426458213	HRQJHGRISJOQSZ-UHFFFAOYSA-N	415.415	5.163	30	20	HKED	
CC(C)(C)Oc1ccc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)nc1	426570260	JPAIJLQZAYHOGN-UHFFFAOYSA-N	401.470	5.234	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1	429930122	HKEZQBJEOCOTAR-UHFFFAOYSA-N	409.414	5.063	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430611871	PWIPVJQMZWGYCD-CQSZACIVSA-N	403.529	5.339	30	20	HKED	
C[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1OCCc2sccc21	431999594	QMNBJXWEGVIAGF-QMHKHESXSA-N	418.518	5.087	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1	432721336	VPIIGTJTYYTSRU-SFHVURJKSA-N	416.403	5.056	30	20	HKED	
C=CCN(C(=O)CC[C@@H]1CCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	433495815	BVYOVZZEXXXSTF-CYBMUJFWSA-N	411.354	5.453	30	20	HKED	
COC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	434740228	VRERSOXLSONLKA-OAQYLSRUSA-N	414.914	5.037	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1	438049930	CHGDJIGBXJYOSI-XZOYJPPVSA-N	408.542	5.046	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl	438062640	NVCMWENNOMLAIU-IAQYHMDHSA-N	422.337	5.500	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C2CC2)cc1	438640815	JGRAARDXBHMLOV-CQSZACIVSA-N	417.431	5.418	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3OCCc4ccccc43)cc2Cl)c1	440780494	JRCLMYBLMSHZSN-HSZRJFAPSA-N	418.880	5.043	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(OC(F)(F)F)c1	441100427	YXALTFXFRZUNBZ-KGLIPLIRSA-N	423.460	5.862	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2ncc[nH]2)CC1)c1ccc(C(F)(F)F)cc1	441539598	YXBAZLHICFVVOC-SFHVURJKSA-N	406.452	5.025	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCOc2c(F)cccc21	443356933	KIXZPINGXLBCQG-QFIPXVFZSA-N	417.440	5.443	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)N(CCC#N)CCCN(C)C	444397062	MENNQAFLXBRIFC-UHFFFAOYSA-N	402.608	5.119	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@]1(O)CCO[C@H]1C	448068852	XTTMIBMUXAKEDW-RXFWQSSRSA-N	422.569	5.113	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2CC(F)(F)F)c1	460469748	HKIPIQZHTGWGAD-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCOc2cccnc2)cc1Cl	463396981	YKXQUEXRRPNARD-NRFANRHFSA-N	405.885	5.188	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1	463532921	OWUCIBTUHGHFSB-MOPGFXCFSA-N	423.479	5.086	30	20	HKED	
Cc1ccc(O[C@H](C)CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	463904128	DFQXWURFCJGYLM-GOSISDBHSA-N	402.519	5.215	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccoc1C(F)(F)F	463925009	LLMBKOAIZYSNOZ-UHFFFAOYSA-N	421.215	5.511	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nnnn2C2CCCCC2)cc1	469078950	SJYPICWBXCRQPC-MRXNPFEDSA-N	418.501	5.024	30	20	HKED	
Cc1nc2cc(C(=O)N[C@@H](CCC#N)c3ccccc3)ccc2n1Cc1ccsc1	472568909	WKHICEXVELZRQV-NRFANRHFSA-N	414.534	5.229	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)c1	473553407	PPWWDOVPSMPTCY-HSZRJFAPSA-N	410.901	5.037	30	20	HKED	
C=CCN(C(=O)CCCCOC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	476359159	YLJAXBWBMYJLGD-UHFFFAOYSA-N	406.551	5.813	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCc2ccccc2F)cc1	478124898	OOUXIJUHPQMWNL-UHFFFAOYSA-N	404.510	5.352	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)oc2c(Br)cccc12	483244112	ZKQCLDKIRNTLCB-INIZCTEOSA-N	405.251	5.542	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(Cc1cccnc1)Cc1ccccc1C)c1ccc(F)c(F)c1	483303434	FWCPPLLLHVVOOS-XMMPIXPASA-N	421.491	5.697	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)c1ccccc1	483514075	HTCPZGMQTVTMRU-QGZVFWFLSA-N	414.896	5.909	30	20	HKED	
Cc1nnc(N(CCC(C)C)C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc12	483976513	HSLKPNVXGPJTHB-UHFFFAOYSA-N	400.526	5.432	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1C	488882148	USPKUMCGVHSYED-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1	489968284	WTIOCEJIKOIZQQ-LJQANCHMSA-N	420.509	5.413	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C	490553768	CVFZVEOCLHPTKP-UHFFFAOYSA-N	413.934	5.118	30	20	HKED	
CCSc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	490723056	YSZASSHYXJHLCY-CQSZACIVSA-N	400.475	5.690	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1ccc(F)cc1	497656271	MGGPYNVUWUVFDP-UHFFFAOYSA-N	408.473	5.470	30	20	HKED	
CCn1c(SCCCCC#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	498568076	ADKZFOKSLFIOFA-UHFFFAOYSA-N	401.532	5.378	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1c(Cl)cccc1Cl	499865058	VDJCYFUKZBKJAB-CYBMUJFWSA-N	406.250	5.111	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4s3)s2)c(F)c1	501355463	BVSCERRYTHJOGQ-AWEZNQCLSA-N	423.494	5.366	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC(c2ccc(F)c(Cl)c2)C1	503893277	MYLZMHHDVDHRKZ-UHFFFAOYSA-N	418.944	5.290	30	20	HKED	
C[C@H](SCCOc1cccc(C#N)c1)c1nc(O)c2c(-c3ccco3)csc2n1	504434255	MCDIXPLBZRJLKJ-ZDUSSCGKSA-N	423.519	5.402	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cc2ccccc2s1	504474175	AYWBXIPIWMOGSZ-MRXNPFEDSA-N	405.523	5.087	30	20	HKED	
CC(C)(C(=O)N1CCC(C#N)CC1)c1csc(-c2c(Cl)cccc2Cl)n1	509855521	ZBQDQARUGHGMLQ-UHFFFAOYSA-N	408.354	5.157	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(C4CCCCC4)c3C)n2)cc1	512720588	MGFVIDJNMKKXDI-IBGZPJMESA-N	404.539	5.619	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	515283786	MZPQKWJBGPGZQN-FRGLQRNOSA-N	421.541	5.470	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4cccc(Cl)c4)c3)n2)cc1	516465188	NTXYYDWIXCLONG-LJQANCHMSA-N	418.909	5.448	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1cccs1)N(C)C	517684596	OXQZUUOCNQBWSD-NRFANRHFSA-N	420.538	5.145	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1	518165655	OQJIIPGRJYCFOB-HNNXBMFYSA-N	424.501	5.097	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(=Cc2cccc(F)c2)CC1	518755933	SCBZSQFVBUNTTM-QGZVFWFLSA-N	409.530	5.931	30	20	HKED	
CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	518848081	XHROLHBKEGOTMV-IBGZPJMESA-N	419.308	5.126	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc([N+](=O)[O-])c1	520599665	DJDXFVYDVVRIPE-OAHLLOKOSA-N	402.410	5.141	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1	521768349	FWDIMKAADJCWMI-FQEVSTJZSA-N	407.514	5.170	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C#N	522311774	KKORCYKUNDTRLT-UHFFFAOYSA-N	401.491	5.194	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1csc(Cc2ccccc2F)n1	522745804	RZDVOKLWLAUMQQ-UHFFFAOYSA-N	407.514	5.043	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nc2cc(Cl)ccc2s1	536071488	VZERRICIVQRLNZ-CQSZACIVSA-N	413.289	5.279	30	20	HKED	
Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2cccs2)cc1	540808611	BASLLFFGYBNRBH-UHFFFAOYSA-N	424.595	5.497	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2/C=C/c2cccs2)cc1	543037517	XXGONYAAWQGFBF-AIGDTVQASA-N	409.555	5.154	30	20	HKED	
CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)CC1	543751294	DLYIKJFXGAMESA-ICFOKQHNSA-N	413.546	5.549	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1	544148577	JZJHEYDVRFUHJL-ZDUSSCGKSA-N	413.380	5.460	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	549063086	CIZIEOKONMLZGV-ILBGXUMGSA-N	410.521	5.285	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N1C(=O)CN([C@H](C)c2ccccc2)C1=O	553129674	MBMZDLIXXHTOTH-GOSISDBHSA-N	411.461	5.189	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2)ccn1	555008111	PAWXYKFMQNVDGQ-DEOSSOPVSA-N	421.460	5.052	30	20	HKED	
C=CCN(C(=O)[C@H]1CCC(=O)C[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	561572854	JBIUKZWALBEVAR-DOMZBBRYSA-N	423.365	5.641	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1F	564428462	SWTBZBGHETVTNJ-IBGZPJMESA-N	421.394	5.006	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	565859533	DYTLXJLUUOHWHX-IFXJQAMLSA-N	424.957	5.686	30	20	HKED	
C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccc(Br)cc1	566931693	XQBVYISKIGOGQY-UHFFFAOYSA-N	416.344	5.195	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	577236958	BEBMCDFTJCGYOX-WOJBJXKFSA-N	422.550	5.036	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1	589830539	MHKVNQGZDQPCNC-OAHLLOKOSA-N	421.934	6.077	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3oc(CO)cc3c2)cc1	590564137	YSUMOJDYVPZOHT-UHFFFAOYSA-N	414.486	5.341	30	20	HKED	
C=CCN(C(=O)CCCc1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603459219	BKEFFKFINNOVNA-UHFFFAOYSA-N	413.524	5.322	30	20	HKED	
Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	604003886	PEHLFCNNXFVXFW-LJQANCHMSA-N	416.546	5.759	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)cc1Cl	604528303	VDNNBNAXJAHHRS-UXHICEINSA-N	415.880	5.060	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCSc1ccc(OC)c(OC)c1	607062075	JBUGOITXQIHXPE-UHFFFAOYSA-N	411.976	5.116	30	20	HKED	
C[S@](=O)Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	609164391	MGHZOUUMXBFKQN-PBBNMVCDSA-N	422.937	5.126	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nccs1	609437123	QFXLBLLOSFANEG-KXBFYZLASA-N	408.552	5.448	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1	609573002	LNXHMTHMHYGBPY-KKSFZXQISA-N	421.932	5.656	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1	609723765	AKKJPBVSCVUZPO-LJQANCHMSA-N	423.944	5.094	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)c1ccc(Cl)c(Cl)c1	609911734	RTERHCIGMHMUNB-MRXNPFEDSA-N	404.278	5.237	30	20	HKED	
CCCN(C(=O)Nc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1Br	610013955	KGWUBNBNNYPRKH-HNNXBMFYSA-N	400.320	5.520	30	20	HKED	
Cc1ccc(C[C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	610016749	RAQAQXODDJZOHY-KRWDZBQOSA-N	419.550	5.454	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccccc1Sc1ccccc1C#N	611549751	ZDKMCRWAUZBJMP-HOCLYGCPSA-N	404.457	5.512	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(COCC(F)(F)F)no2)c1	612873859	AGDKWLXKGFOXEC-UHFFFAOYSA-N	409.751	5.133	30	20	HKED	
CCCc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n[nH]1	613346908	RQABRNMGGUJNSI-ZDUSSCGKSA-N	405.310	5.283	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1	680581302	URUWYMVFEFTRBM-YUMQZZPRSA-N	400.310	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1	682777528	LYJVVKXOYNFKLI-UHFFFAOYSA-N	416.487	6.264	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccc2ccccc2n1	684674466	VVPFXHIEOMWOFG-OAHLLOKOSA-N	407.260	5.217	30	20	HKED	
Cc1nc(NC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)sc1SCC#N	725717766	BJKGWXYAKDJHGE-OAHLLOKOSA-N	410.568	5.347	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1	728033840	RAFNOZQQOCXTHP-LJQANCHMSA-N	404.457	5.174	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1sc(N2CCCC2)nc1Cl	728164661	GDBVABRULCINAN-UHFFFAOYSA-N	414.943	5.249	30	20	HKED	
N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1	730422360	WXTIUWPOQKJNSU-CYBMUJFWSA-N	410.417	5.423	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc([C@@H]3C[C@H]3C)o2)c1	732766853	ZKJUDBCYTXAXJG-CRAIPNDOSA-N	410.543	5.176	30	20	HKED	
N#Cc1cnc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c(Cl)c1	734142468	YJRWJGGXIIVEJG-UHFFFAOYSA-N	419.780	5.081	30	20	HKED	
C=CC[C@H](NCc1ccc(OCc2ccccc2)c(Br)c1)c1ccncc1	734510115	QRAKDWHFHSAMQK-QFIPXVFZSA-N	423.354	5.830	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1)c1ccncc1	734665339	MBVVFSBOMWTPCY-GOTSBHOMSA-N	405.929	5.635	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SC(F)F)cc2)cc(Br)c1O	734979329	CATJCVFEFGCNQA-FARCUNLSSA-N	415.255	5.374	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cc1OC	735823575	IXZYWBKBACPGCB-RXXLQFRUSA-N	419.525	5.081	30	20	HKED	
Fc1ccc(NC(=S)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1	735985607	ZTFFJZUOCDFUCZ-UHFFFAOYSA-N	412.330	5.595	30	20	HKED	
Cc1cccnc1[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(C)C	740063172	ZTMWAPWSLYWSQZ-OAQYLSRUSA-N	404.539	5.187	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1cccc(C#N)c1	743150256	QLUGLIYNMJBRBY-MRXNPFEDSA-N	420.513	5.129	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c12	744073218	BDRNSAGGBVABPN-INIZCTEOSA-N	421.472	5.687	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc(C(C)C)cs3)c2c1C	747196039	GDXMKRJXWHKRMS-ZDUSSCGKSA-N	416.597	5.247	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1	751142662	PSUNFCJFTZMGEC-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C[C@@H](C)c3ccccc3C2=O)cs1	751534247	CHARSZURUSQGLS-OKSBFYSISA-N	402.519	5.910	30	20	HKED	
Cc1ccc(Cl)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	753532228	IVMCACKTDBZVPG-LJQANCHMSA-N	404.853	5.402	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1	756240114	FHRKNCNOWZPZCR-CYBMUJFWSA-N	424.394	5.792	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1	763814608	LAVPSDPLXIDOJW-UHFFFAOYSA-N	402.441	5.251	30	20	HKED	
C[C@@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F	766290647	CJLKVGCXOQOYBB-SECBINFHSA-N	424.316	5.067	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1	767857590	KASHPTNEHZGAAD-SFHVURJKSA-N	409.958	5.168	30	20	HKED	
CCSc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)c1	769740512	GLTXWIAJQADMNW-IZZDOVSWSA-N	414.470	5.031	30	20	HKED	
C=C[C@@H](Cc1nc(CC(=O)Nc2ccc(SC(F)F)cc2)no1)c1ccccc1	770936023	DJGQCPCQWXLOLU-AWEZNQCLSA-N	415.465	5.078	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	773767402	CPVGFSZJJKJYAN-YJBOKZPZSA-N	423.875	5.045	30	20	HKED	
N#C[C@H](COC(=O)C1CCC(C(F)(F)F)CC1)Cc1cccc(Br)c1	774391829	INLZUKRKPBNIEH-WLYUNCDWSA-N	418.253	5.043	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)CCN1c2ccccc2Sc2ccccc21	780159539	JMRHDDSOZHDFNF-KRWDZBQOSA-N	415.518	5.609	30	20	HKED	
C[C@@H](OC(=O)CCC(C)(C)C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	783987843	JDQZCJUYDKHLAI-QZTJIDSGSA-N	418.493	5.145	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc(OCc3cccc(F)c3)cc2)cc1	792917646	OYDLTNKKRRCMGL-NVNXTCNLSA-N	403.453	5.003	30	20	HKED	
CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc2ccccc2c1	795853796	BYNIRZNRMUTSHB-UHFFFAOYSA-N	401.485	5.120	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc2ccccc2c1	796632269	JPYSFWSLCIGFCD-GAJHUEQPSA-N	414.505	5.079	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	802036434	XDIVUYJMVXMSDQ-CRAIPNDOSA-N	402.347	5.098	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c1	806808575	IGJPRUMAGSDNCO-JXHRLWIKSA-N	421.541	5.059	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C2CCCC2)cc1	810529252	CGABLBQUIFRNME-SFHVURJKSA-N	410.901	5.276	30	20	HKED	
CC(C)(C)c1ccc(C=NOCc2nnc(-c3ccccc3Br)o2)cc1	849382255	RZZCKUANRHBJJE-UHFFFAOYSA-N	414.303	5.347	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NCc2cc(C#N)ccc2Br)c1	864011782	CNLUNPHTOGQTEX-UHFFFAOYSA-N	409.331	5.301	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C/c3ccc4ccccc4n3)c2)cc1	916452386	ZKTSMWAIPSVFJX-NTCAYCPXSA-N	419.484	5.532	30	20	HKED	
N#C[C@H](C(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	916907241	XFURLOWBGAEMDC-QGZVFWFLSA-N	422.843	5.161	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1cccc2ccccc12	916917797	JRLVSILPZQPVBG-MENFKHAKSA-N	424.378	5.099	30	20	HKED	
CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(C)n1	916973452	XSZWGJNWIYUDET-SFHVURJKSA-N	422.579	5.056	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(C)cc1	917610139	ROYJROLSELPDHW-UHFFFAOYSA-O	413.566	5.231	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(COc2ccccc2)c1	918049815	FTALISNMUKKNDL-UHFFFAOYSA-N	402.494	5.494	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3ccsc3)n2)nnn1-c1cccc(Cl)c1	920389219	MNXGPHZSMYCVRE-WAYWQWQTSA-N	412.927	5.310	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5scnc5c4)CCC3)cc2)C1	1785807734	OOFQGZGRXOTXBV-UHFFFAOYSA-N	417.534	5.010	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc(Cl)c4)CCC3)cc2)C1	1785808796	GQFVHUZACLQXIS-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccccc2)cc1	6515581	USKVHEIRNKSSGG-UHFFFAOYSA-O	423.989	5.976	30	20	HKED	
N#Cc1ccc(COC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1	9248283	IBNWDQAZLCWYQU-UHFFFAOYSA-N	417.515	5.065	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)Cc1ccc(C#N)cc1F	11436063	YCAOMWDNDMZJGD-UHFFFAOYSA-N	410.514	5.369	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1	23604018	UMBUQEZXEGAYCB-UHFFFAOYSA-O	424.565	5.407	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1	23724233	RGVWZDIKLHVUSH-XDHOZWIPSA-N	419.462	5.363	30	20	HKED	
C=CCN(C(=O)Cc1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	26769976	FNTDJSNBZWILQZ-UHFFFAOYSA-N	422.337	5.483	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(Oc2cnccn2)c1	33137684	UNFAFYFRDTYURX-UHFFFAOYSA-N	424.485	5.544	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	45036722	ARZHLWCDDBHMMY-SJORKVTESA-N	403.404	5.361	30	20	HKED	
Cc1cccc(C)c1OCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	60705947	BWKKJYRDLDPFDX-UHFFFAOYSA-N	416.546	5.276	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)C1(C#N)CCCC1	149063041	VEGSFTVYYGFXCG-UHFFFAOYSA-N	415.415	5.289	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(SC)c(OC)c2)cc(Br)c1O	207746149	DGWLWPLTFGZQQR-ALCCZGGFSA-N	423.328	5.180	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	237611673	FSBISDIRGYMGOF-IQGLISFBSA-N	402.563	5.797	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)C1(C#N)CCCC1	248096793	GSOFXIKUMQANDP-UHFFFAOYSA-N	418.928	5.235	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(Cc2ccccc2F)n1	303658821	GWZZQWRZVWLRGI-AWEZNQCLSA-N	411.527	5.520	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	429682409	NPENDRVNTUKYOA-INIZCTEOSA-N	402.853	6.065	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	429720642	FLDHBQRXNZGUTG-GHMZBOCLSA-N	419.478	5.051	30	20	HKED	
COCc1nc2cc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)ccc2o1	431391403	NLQPOWOLLQRRNY-UHFFFAOYSA-N	414.421	5.282	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)NCC[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1	432463564	KVCKIDGNSKNXJU-NRFANRHFSA-N	413.443	5.093	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1OCCc2sccc21	432805169	NHWLNOJDHCYALY-NYHFZMIOSA-N	404.491	5.301	30	20	HKED	
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433648956	KTNYFSPEUJQRIZ-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1C#N	435562433	FTRCHJVSFHJTKS-UHFFFAOYSA-N	402.498	5.238	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccccc1	435620114	ZJRQHRAHTYGDPN-NRFANRHFSA-N	414.571	5.229	30	20	HKED	
CCOCc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	437734953	JASVUXSXCCUULQ-JOCHJYFZSA-N	419.912	6.176	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl	438040817	KJBJTTTWSUIEJC-JKSUJKDBSA-N	413.974	6.492	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1nc(C2CC2)no1	439646116	LWNWCDYIDNEYHX-LBPRGKRZSA-N	414.387	5.803	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)C[C@H](Cc3ccccc3)c3ccccc3)CC2)c1	460151592	QBGIWMYXMFJABV-VWLOTQADSA-N	424.544	5.345	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464403214	FRKHQUAEGRAHON-SFHVURJKSA-N	418.378	5.201	30	20	HKED	
CCCCOc1ccc(-c2nnc(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)o2)cc1	464825697	XZNOPWISQCKRSJ-DHIUTWEWSA-N	416.525	5.187	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Cl)c1	465390213	XCOXWGQCKFXQFD-UHFFFAOYSA-N	405.228	5.615	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccoc1C	466609151	KOVABHLPHJSVGE-HNNXBMFYSA-N	407.499	5.244	30	20	HKED	
Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1	467240664	GBUVBBQNSFLLHM-UHFFFAOYSA-N	401.514	5.053	30	20	HKED	
C=CCCN(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	468185757	HRMITVMBMPZKFW-SAPNQHFASA-N	407.495	5.170	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2	468461347	QSIYZLAUJLKAOZ-GOSISDBHSA-N	423.607	5.375	30	20	HKED	
CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470775781	ZNQQGAJFEBGRIR-HSZRJFAPSA-N	421.566	5.025	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1	471175447	BBYXRAVPUIRVSD-UHFFFAOYSA-N	408.420	5.247	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	474529514	ZFCURKIGXHIQRE-QHCPKHFHSA-N	405.929	5.265	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccccc2)CCCCC1	477645460	PZUBKAYQLDBLQL-IBGZPJMESA-N	407.583	5.326	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1nc2ccccc2o1	478092984	SBRAFXHEVIYFQX-NSHDSACASA-N	409.161	5.099	30	20	HKED	
CCS[C@@H]1CCC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	482230502	RZUOXXAYLBTGPE-WOJBJXKFSA-N	410.608	5.645	30	20	HKED	
Cc1c([C@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2ccccc12	485025298	KDDKYQMCFDOVCA-RDJZCZTQSA-N	407.539	5.425	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1	486904061	WNNCYSKRWJQBRQ-UHFFFAOYSA-N	412.921	5.393	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1nc2c(s1)CCCC2	494057677	VUDWFGJFBNBCJY-HOTGVXAUSA-N	417.372	5.107	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2ccc(Cl)cc2)cs1	496025973	ANUWKCLTQVLAAB-GOSISDBHSA-N	406.894	5.473	30	20	HKED	
COc1cc(C#N)ccc1CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1	499319829	NJHBRRJNUZEKLM-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1	499884940	DOVBBLLUGCHCBA-ZHRRBRCNSA-N	420.513	5.526	30	20	HKED	
CC1(C)Oc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2O1	500476380	SRUJWGJWFNRWHN-UHFFFAOYSA-N	402.475	5.469	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	500759606	PYUMNKKIRLOZNB-QGZVFWFLSA-N	418.518	5.787	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	502387260	IIBSZIBFGDTREQ-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
Cc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cccc1OCC(F)(F)F	502519913	NOWOGKOEMGCMNG-UHFFFAOYSA-N	407.392	5.263	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Nc1cccc(OCCCC#N)c1	503223353	YYBBDYJGRVHSOR-UHFFFAOYSA-N	408.502	5.306	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cccc(Br)c3)n2)cc1	505751629	VASZEXFHCDYUPJ-MRXNPFEDSA-N	412.312	5.127	30	20	HKED	
C=CCN(C(=O)c1cc(CC)nc2onc(C(C)C)c12)c1nc2c(s1)CCCC2	509026988	RPBKBQUMWVLHLZ-UHFFFAOYSA-N	410.543	5.077	30	20	HKED	
CN(CCc1nccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510674609	JGKJJKRQGKQJCB-SFHVURJKSA-N	410.930	5.158	30	20	HKED	
C[C@@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccc(C(F)(F)F)cc1	512951510	RMWOALRECZAXDU-INIZCTEOSA-N	412.411	5.897	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	513199809	DCOQHPDEHUDSEC-INIZCTEOSA-N	403.507	5.512	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)CCCSc3ccc(Cl)cc3)CC2)c1	517082727	ZCGQAYMKRJGCIW-UHFFFAOYSA-N	414.958	5.154	30	20	HKED	
CC(C)(C)n1ccnc1SCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	517841478	PYIOQJPBFDNYQV-UHFFFAOYSA-N	406.511	5.033	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1	518758909	MXKONMCLQNOFHF-UZUQRXQVSA-N	421.591	5.460	30	20	HKED	
C=C1CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	521271406	HRCQMQZGMHOTBA-UHFFFAOYSA-N	422.428	5.557	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(C#N)cc1	521272964	ZKOCXFGNXQKXBS-OAHLLOKOSA-N	416.868	5.758	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(OC(F)F)cc1	521326595	YYKYUKSTJTVJNX-OAHLLOKOSA-N	423.419	5.391	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	523614641	ITWIPGGHTKDMFE-UHFFFAOYSA-N	400.413	5.169	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)sc2c1CCCC2	525429479	BNFAVFGMFPYEIY-KGLIPLIRSA-N	406.429	5.139	30	20	HKED	
N#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)nc1	531070008	ITDYBWSPPSCPJY-UHFFFAOYSA-N	404.882	5.063	30	20	HKED	
C[C@@H](C#N)CN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CC1	533142057	CMVQSOGNOJSLBJ-ZDUSSCGKSA-N	416.308	5.010	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](c1cccnc1)C1CC1)c1ccc(C(F)(F)F)cc1	534702299	PBPOKOAKPGZMNW-UXHICEINSA-N	403.448	5.558	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1C(F)(F)F	537158409	AAVFFWMZTLNYNF-CABCVRRESA-N	421.488	5.389	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)c3ccc(C4(C#N)CC4)cc3)s2)cc1	537465485	GFFYHARIXFIFKM-GOSISDBHSA-N	415.562	5.815	30	20	HKED	
CCN(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)c(Cl)c1	538072576	JDJHXBLWUFBDEU-UHFFFAOYSA-N	418.806	5.083	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	539128190	XEEQVESZVBVRCB-SFHVURJKSA-N	414.509	5.172	30	20	HKED	
CC[C@H](C)n1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1C	540855349	QCJNZIPBUVINJM-HNNXBMFYSA-N	404.470	5.087	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541075497	CWTPAJSTUTZCBT-MOPGFXCFSA-N	413.521	5.302	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4CCC(CC#N)CC4)cc3)sc2c1	542882268	WFGKUUFDQZDLOH-KRWDZBQOSA-N	418.566	5.224	30	20	HKED	
CC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl	543087502	SKQLTFOQQSXIDW-UHFFFAOYSA-N	420.900	5.189	30	20	HKED	
Cc1cccc([C@H]2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)C2)c1	543365317	ALMAWKLQTSMSDJ-QHCPKHFHSA-N	412.537	5.019	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1	546857322	BMKGTRJBDRDGJM-UHFFFAOYSA-N	419.506	5.072	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1CCCC(F)(F)C1	551382664	NAIWZPXNXVLEMK-LLVKDONJSA-N	403.313	5.508	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@H]1CC[C@@H](C(F)(F)F)C1	552186702	QSAAJXZDMYTCJM-CYZMBNFOSA-N	421.303	5.794	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccccc3SCCC#N)cc(C3CC3)nc21	553329379	GDRMXVAVURBLHD-UHFFFAOYSA-N	405.527	5.148	30	20	HKED	
C=CCn1c(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)nnc1-c1ccoc1C	558806662	DHOZLYPUQIZGLK-UHFFFAOYSA-N	424.404	5.252	30	20	HKED	
FC(F)Oc1ccccc1[C@@H](NCc1ccc(C(F)(F)F)cn1)C(F)(F)F	560165019	XUZTYJGEDRSJPD-CYBMUJFWSA-N	400.269	5.095	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	569391562	SLUHRQGQPOTIPE-UHFFFAOYSA-N	410.477	5.261	30	20	HKED	
CCOc1ccccc1-c1nnc(SCc2ccc(Br)cc2C#N)o1	574027540	YESSNZZUAQIXJB-UHFFFAOYSA-N	416.300	5.062	30	20	HKED	
Cc1cccnc1C(C)(C)CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	574370354	ZXUQJFBAJFGEMS-UHFFFAOYSA-N	400.482	5.153	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3ccc4nc(C)sc4c3)no2)c1C#N	579645575	PGXKXMGQXOPLAD-UHFFFAOYSA-N	405.508	5.188	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(F)cc2F)cc1	582864166	ZOTJSEVXHCDYPF-UHFFFAOYSA-N	408.473	5.101	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)sc1-c1cccc(Cl)c1	588348522	PHHXGWAJQPEBFK-OAHLLOKOSA-N	420.843	6.281	30	20	HKED	
N#Cc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1	589497371	QQNSIFMYFRCFMK-RYUDHWBXSA-N	404.276	5.140	30	20	HKED	
C[C@@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccc(C#N)cc1	603568750	ONXUOMIGYHLLBI-SNVBAGLBSA-N	408.832	5.936	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690512	KSRIVLCAVOAUFL-UHFFFAOYSA-N	415.478	5.019	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	603995132	WGZFCWUBOLPWDH-KRWDZBQOSA-N	415.518	5.071	30	20	HKED	
Cc1occc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609080566	OGEZWHVDNLKHIS-UHFFFAOYSA-N	409.873	5.356	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)c2)cc1	609209155	ZGEFSRUONNXSNR-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609928371	TWSBKKUBGCABKP-INIZCTEOSA-N	420.900	5.494	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1C#N	610109415	NWDDKOXIDPAGNH-UHFFFAOYSA-N	408.436	5.289	30	20	HKED	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)Cc1cc(C#N)ccc1F)CCO2	610215959	RKKSGWVTGWQLHQ-DEOSSOPVSA-N	402.469	5.232	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(CC3CC3)c2)cc1Cl	610584151	KQFUPJPWCYETNU-FQEVSTJZSA-N	405.889	5.246	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](OC(F)F)C2)cc1Cl	611595200	WKQHNVLWQDWJRO-WMZOPIPTSA-N	419.859	5.231	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1	612478028	GQMXNZVULYFCBV-UHFFFAOYSA-N	407.539	5.450	30	20	HKED	
Fc1ccc(-c2ccc(CNC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)o2)cc1	642197974	LCWSXWRJGNTMNN-STQMWFEESA-N	409.345	6.085	30	20	HKED	
CCn1c(C)cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1C	728225587	VDHUBXYOUYHYTG-UHFFFAOYSA-N	424.957	5.407	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Br)cc2)cc1	730130104	BKEWRBFAEZIZAT-NRFANRHFSA-N	420.310	5.426	30	20	HKED	
O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccccc1C(F)(F)F	730950277	CKQADWHHEBHMDR-JXMROGBWSA-N	416.351	5.472	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccccc1SCCC#N	730981864	CPFJOBMDQAKJNB-UHFFFAOYSA-N	410.930	5.151	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	731280528	NCMKQCOPMAXSDV-RXFWQSSRSA-N	409.533	6.175	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	731288413	URLSJCHRDXWNIR-RBZQAINGSA-N	410.517	5.416	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1	731332322	IVECCDVBZWBCMQ-SAYIFAPPSA-N	402.519	5.895	30	20	HKED	
Cc1ccc(N2CCCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1	731400804	USVFDYBFYHKUGH-IBGZPJMESA-N	408.571	5.134	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2Oc2ccccc2)ccc1OC	733229340	AKEHLIICTJLGSL-LJQANCHMSA-N	416.477	5.098	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2csc(-c3ccccc3)n2)cc1	734644566	RPXVBAZMBGVCLW-QHCPKHFHSA-N	424.529	5.787	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1	734963569	JKMKLGMUFVYNIS-DYESRHJHSA-N	416.452	5.459	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1)c1ccc(C#N)cc1	739991326	WJNISYKLRZHBDY-QHCPKHFHSA-N	420.440	5.133	30	20	HKED	
CCC(CC)(C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1	744934042	DAACSRZAXJFUOB-UHFFFAOYSA-N	409.873	5.063	30	20	HKED	
CC(=O)c1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	745724189	MCNLCEAJOPNJEN-UHFFFAOYSA-N	417.509	5.612	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2ccc(C)cc2)c1=S	746028919	LTXQAQBBGWVLBJ-UHFFFAOYSA-N	408.571	5.064	30	20	HKED	
COc1sc(CNCc2cccc(-c3ccc(C#N)s3)c2)cc1Br	746729692	DHAUAGBBBWOTBQ-UHFFFAOYSA-N	419.369	5.409	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1	753300251	SUIUUKSYSOQOJN-SHQCIBLASA-N	423.516	5.048	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)n1	754544594	CTXULLIPDLRKBZ-ZDUSSCGKSA-N	409.338	5.803	30	20	HKED	
C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)c1	756589816	MVDPIKRZKFAPNP-UHFFFAOYSA-N	417.578	5.761	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)ccc1F	756963538	QRTHLIVHYCHAOD-UHFFFAOYSA-N	418.424	5.343	30	20	HKED	
C=C[C@@H](CC(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	758911465	BLPIRQGQEIJCOL-LBPRGKRZSA-N	412.700	5.488	30	20	HKED	
N#CCOc1cccc(NC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)c1	758952511	XHYYPAFJUFUVNC-UHFFFAOYSA-N	412.873	5.785	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2cc(C)ccc2F)cs1	759667728	YTPNDVJEKWQTHE-UHFFFAOYSA-N	402.882	5.375	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1	760009049	PVKJIXLYNJJUAX-FGZHOGPDSA-N	413.477	5.154	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cnc(-c2cccnc2)s1	761492603	VAFSKOBKFIUNGX-UHFFFAOYSA-N	414.943	5.044	30	20	HKED	
N#CC(CCn1ccnc1[C@H](O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1	766068089	OASFWGVHQDNZNF-XMMPIXPASA-N	411.480	5.004	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	768175817	XFJYRBVNAGTVQM-INIZCTEOSA-N	404.228	5.091	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)cc2)cs1	772637906	AJJBOCXNLAXIMH-OXAMMDBCSA-N	400.290	5.402	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC=C(c4ccc(Cl)nc4)CC3)c2)cc1	773811394	FMQNCLUNYZPLCK-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCc4c(Cl)cccc43)n2)cc1	776084655	SECYZAVMQWWDGT-ROUUACIJSA-N	408.910	5.378	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C)c1ccncc1	777741485	QXMBUTXCWITKAQ-FGZHOGPDSA-N	407.558	5.257	30	20	HKED	
N#C[C@H](C(=O)[C@@H](F)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	778299530	XOKLUFVKZAGGAV-WBVHZDCISA-N	419.308	5.874	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(F)c(F)c2)n1	780301459	IMNXYJQEZMSQHT-CQSZACIVSA-N	421.428	5.083	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2)o1	784832009	XDISIMAXHFGXSA-FQEVSTJZSA-N	422.440	5.700	30	20	HKED	
C#Cc1cccc(NC(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1	792223308	FGPMNAYYMXMZLB-UHFFFAOYSA-N	417.534	5.212	30	20	HKED	
Cc1c(-c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)sc2ccc(C#N)cc12	794077669	YTCVGSBYSICVSI-UHFFFAOYSA-N	410.499	5.035	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc3cc(Br)ccc3o2)cc1	794739056	OSJXCAPBFBMBCZ-SHLUWWQESA-N	403.663	5.618	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1ccc(Oc2ccccc2)cc1	795138663	GTVFBOBDPXGZNH-UHFFFAOYSA-N	420.582	6.031	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(C2CCC2)c1	798817516	YUAFVIJAVAJBID-SFHVURJKSA-N	400.450	5.230	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	800385375	AWCIVMPIIJXCIN-MFKMUULPSA-N	415.292	6.119	30	20	HKED	
N#CCc1ccccc1CC(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	804576385	INKQUCCDAODPRY-LJQANCHMSA-N	420.727	5.004	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(Br)c1	813060681	GXJJQQWIQLZGSA-HZMBPMFUSA-N	419.731	5.692	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)CSc2ncnc3sccc23)cc1	818023884	BGWUPUFNHWAGOF-UHFFFAOYSA-N	417.515	5.065	30	20	HKED	
C=CCOc1ccccc1-c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	904490688	WOKBFIFHUOUXHS-UHFFFAOYSA-N	408.461	5.366	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2ccc(Br)s2)c(-c2ccccc2)n1	916134130	CLYUBKDQYRIRRS-BQYQJAHWSA-N	412.312	5.184	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12	916919270	VIFSROBMAGREQV-HSZRJFAPSA-N	422.484	5.500	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(Cl)cccc3s2)cc1Cl	916941379	UGOFBGZVKVBJGM-LBPRGKRZSA-N	419.289	5.178	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2C)no1	917025998	VDHISJPKCWAYMO-GOSISDBHSA-N	402.479	5.004	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	920110807	WGJSXIJBDHEDGY-CVDCTZTESA-N	412.489	5.006	30	20	HKED	
Cc1cccc2[nH]cc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)c12	920365186	PMHCTFFBGNMMQW-UHFFFAOYSA-N	402.310	5.213	30	20	HKED	
Cc1ccc(C2=CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)cc1	920851282	FYUBVIFBYHZANK-UHFFFAOYSA-N	424.548	5.319	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592060	PYOAHOKHCSQVRQ-QFIPXVFZSA-N	420.557	5.033	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cc(C)cc(C)c1	10172523	LCRQKNHZDXYNCA-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cc(C)cc(C)c1	10172687	UIHBIZVFQQUORV-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccccc2CC)cc1	10173450	WTLPMWMSVITBEK-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1	16151295	MGAGPLIEMONMDF-GOSISDBHSA-N	417.559	5.139	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1	17672323	ZMBQTWAEASNAIH-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccccc1	21755312	BDTFPQVDBXRJPP-SJLPKXTDSA-N	424.595	5.037	30	20	HKED	
CCOc1ccc(-c2nc(CSc3nc(C)cc(C)c3C#N)cs2)cc1OC	23884847	CVKDVMXGXRVXBB-UHFFFAOYSA-N	411.552	5.393	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	32289872	JXRPOWHOOYDFOE-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	47565615	CZQNFTVCJCGEMY-QFIPXVFZSA-N	414.896	5.531	30	20	HKED	
O=C(CC/C(O)=N/c1nnc(SCc2ccccc2)s1)c1ccc(F)cc1F	50884623	WAYKPSJZPBFGET-UHFFFAOYSA-N	419.478	5.360	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)c1	63441049	MTANUBKQMJOKEB-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc21	96966206	VZHXJYWAJIBCRP-OAQYLSRUSA-N	414.534	5.184	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1csc(-c2ccc(OC)cc2OC)n1	108081206	JJGRGTQGQVSFEP-UHFFFAOYSA-N	407.539	5.111	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NCc3ccc(O[C@H](C)C#N)cc3)cc2)c1	237606122	JARJHISIEGMUTM-NHCUHLMSSA-N	400.522	5.716	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc(C)c(F)c2)cc1OCC	302903085	YDYISYDODCQUPE-UHFFFAOYSA-N	408.311	5.150	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1F	426085336	OWMDTFWUCDTFSF-UHFFFAOYSA-N	423.444	5.476	30	20	HKED	
C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(Cl)cc1Cl	428341467	OUMKMDRDNOXEQT-CQSZACIVSA-N	413.308	5.262	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2ccncc2)CC1)c1ccc(C(F)(F)F)cc1	428955856	WLLOXEHSXFDOGH-NRFANRHFSA-N	417.475	5.697	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	429682410	NPENDRVNTUKYOA-MRXNPFEDSA-N	402.853	6.065	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	431966937	QHLVUTUGZFSHKI-NRFANRHFSA-N	415.497	5.326	30	20	HKED	
FC(F)C(F)(F)COCc1cccc(NCc2ncc(C(F)(F)F)s2)c1	433306372	SDPWUYUXFVMBSU-UHFFFAOYSA-N	402.335	5.191	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c3cnn(C(C)C)c3n2)s1	434021736	MHNMRUGLLIZSKB-HXUWFJFHSA-N	421.570	5.204	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1	435114612	UQOSBZIPUJMJFD-SFTDATJTSA-N	408.933	5.170	30	20	HKED	
COc1ccc([C@H](C)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	437045931	PSNSVVDOPPCMMI-MEDUHNTESA-N	409.345	6.197	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)Nc2ccc(F)c(C#N)c2)C(C)C)cc1	437997550	LYQGAAFWEPXPKD-UHFFFAOYSA-N	417.484	5.815	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1	438042177	OSKRIFGAWVAJDS-IAGOWNOFSA-N	405.527	5.007	30	20	HKED	
COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	438060683	XGTZMEXWZLAOPJ-ICSRJNTNSA-N	423.582	5.576	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1OCC(F)(F)F	438337352	YHZXXPRZYJVPHN-MOPGFXCFSA-N	417.431	5.240	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1OC(C)C	438641771	NSBWZIJGEHQKIE-CYBMUJFWSA-N	421.419	5.256	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3coc4ccc(OC)cc34)n2)cc1	442503569	DNCKAKCWLKVZOP-KRWDZBQOSA-N	404.447	5.064	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1	461682581	HAJVDZFLJIAUOZ-UHFFFAOYSA-N	412.493	5.193	30	20	HKED	
FC(F)CN1CCC(N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	463267612	PYDDKNXWGKNKGP-AWEZNQCLSA-N	404.345	5.018	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	463277658	DURNETNEQCTSIE-UHFFFAOYSA-N	407.461	5.186	30	20	HKED	
O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1c(F)cc(C(F)(F)F)cc1F	463725047	CAQAATJDYWDNDL-UHFFFAOYSA-N	419.256	5.224	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1	467927240	NFSKGDCFOWDEQS-UHFFFAOYSA-N	418.497	5.212	30	20	HKED	
N#Cc1cccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1	471585206	JXQCDODLGPPYDX-UHFFFAOYSA-N	404.297	5.078	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NCc2nnc(-c3ccc(C#N)cc3)o2)c1	471678334	KJIRYYMTLWJVCW-UHFFFAOYSA-N	404.417	5.183	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)n2)c1	472358724	CHKOVMZVHGSOEB-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
COc1ccc(CC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	474268713	XPPUNIOHNBDBEE-HNNXBMFYSA-N	423.328	5.206	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cnn1-c1cccc(C(F)(F)F)c1	474445274	LHEAHRGHNXIWKQ-HNNXBMFYSA-N	418.444	5.270	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccnc1Oc1cccc(F)c1	475573519	SJBDRPBCMHQIEU-UHFFFAOYSA-N	419.500	6.187	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	475900281	OLLZQCNHKCLHAB-QHCPKHFHSA-N	417.940	5.788	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(C(C)(C)C)o2)nc2cc(Cl)ccc2c1=O	476493232	JYQGDELYJCMGHK-LBPRGKRZSA-N	403.935	5.375	30	20	HKED	
C=CCC1(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCC1	478550822	CYZVUUOFUDQCON-NRFANRHFSA-N	418.537	5.180	30	20	HKED	
CC[C@@H](C)n1nc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C	480600547	IZFKPRMXYGECGD-QGZVFWFLSA-N	417.513	5.566	30	20	HKED	
C=CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1cccs1	481378319	UPBAHQJKQYYWNA-IBGZPJMESA-N	424.595	5.039	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1ccccc1C	481405037	STRUMJAJHWHMEE-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	483817464	MZMLNAJEADJEKU-FPOVZHCZSA-N	407.562	5.063	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1	498650441	ZKCOWINCDJJUFS-UHFFFAOYSA-N	413.315	5.242	30	20	HKED	
COc1cc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCCC(C)C	499626298	PJZXVHNLQJIURJ-UHFFFAOYSA-N	409.530	5.243	30	20	HKED	
COc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc(OC)c1	502477841	OEINIPXYMLWDHP-UHFFFAOYSA-N	419.437	5.020	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C	503696470	MVBFGPHTHGMDQM-SFHVURJKSA-N	402.951	5.373	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccco2)s1	504373123	ZJIRTYURMUIVJN-UHFFFAOYSA-N	417.465	5.569	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	506478472	AJKSRRQVAPQDKF-LJQANCHMSA-N	406.272	5.773	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)C1	507719743	TXOOTXZPBXQUIT-RYUDHWBXSA-N	401.322	5.021	30	20	HKED	
C=CCOc1cccc(NC(=O)NCc2ccc(Oc3ccccc3OCC)nc2)c1	510647717	JWKMVKDHBMLQEX-UHFFFAOYSA-N	419.481	5.159	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(-c2ccncc2)cs1	512964066	LQVPLCJOMHBMTM-CQSZACIVSA-N	422.922	5.472	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1csc(Cc2ccccc2)n1	514499989	ITHCZQYDGHLAAX-UHFFFAOYSA-N	418.591	5.395	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c(C)c2c1	517656385	IYEOQWVBTNFDFO-UHFFFAOYSA-N	404.466	5.174	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1	518377298	FSCFFPPRNVDUOK-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC(C)C	519978107	DHFKAAWLMXCUGE-UHFFFAOYSA-N	402.450	5.399	30	20	HKED	
COCCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	521151933	QLBWRCRPYGQABB-HZPDHXFCSA-N	419.447	5.057	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)n1	522314719	QAROECMQBQRCED-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
C=CCn1c(Sc2cnc3cc(F)c(F)cc3n2)nnc1-c1ccc(Cl)cc1	522932658	FAUCLUUQVJLMLI-UHFFFAOYSA-N	415.856	5.157	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	524699763	RGUAVUJUCIESGO-HNNXBMFYSA-N	417.490	5.173	30	20	HKED	
CC(C)c1ccc(-n2ccnc2SCc2nnc(-c3ccc(C#N)cc3)o2)cc1	525624945	HWAMEPRJOOBYQL-UHFFFAOYSA-N	401.495	5.210	30	20	HKED	
CC(C)Oc1cccc(CN(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	533742758	ZSVXXCVTEAXKAH-UHFFFAOYSA-N	420.538	5.057	30	20	HKED	
CCCN(C(=O)c1ccc(CC#N)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F	535445650	IIAITRSRYCRMAS-QHCPKHFHSA-N	405.448	5.068	30	20	HKED	
CCN(CC)C(=O)Nc1ccc([C@H](C)NCCSCc2ccccc2C#N)cc1	536865456	ZVNYWCYZVDVECK-SFHVURJKSA-N	410.587	5.016	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	537253688	IRUGJLIVYRWRCO-ZDUSSCGKSA-N	416.243	5.548	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(-c2ccccc2)n1	537900623	CWHLSNZTNPPQFB-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
N#CCCn1cc(CNc2cc(F)ccc2SCC(F)F)c(-c2ccccc2)n1	538832805	MSCOKLHLIGRJMR-UHFFFAOYSA-N	416.472	5.572	30	20	HKED	
CSc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	540723314	LGYMJEHWPZAJOW-UHFFFAOYSA-N	410.486	5.614	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@]2(CC[C@H](C)C2)C1	541044361	ZXCSHCUYCLXWDX-BVZFJXPGSA-N	403.526	5.490	30	20	HKED	
CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F	541996699	NDFZLIDYAGDOJP-HNNXBMFYSA-N	416.456	5.205	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1	544555209	ZRNUYBODGXBXLS-MRXNPFEDSA-N	401.513	5.132	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccccc3CN3CCCCC3)no2)cc1	546405317	QXCLZEMPGUCVRG-UHFFFAOYSA-N	404.539	5.028	30	20	HKED	
CCCc1ccc(-c2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)cc1	548811086	JMNYCRPJACJYCQ-UHFFFAOYSA-N	424.548	5.790	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	554008020	SQFWALPTPWCGBU-NRFANRHFSA-N	403.551	5.450	30	20	HKED	
N#Cc1c(F)ccc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1Cl	559999007	KFAPZSKIKXQQPD-UHFFFAOYSA-N	406.288	5.242	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC(C)(C)[C@H]2c2cccs2)cc1	562154732	WSKQUDQDWGAYBR-HXUWFJFHSA-N	409.555	5.177	30	20	HKED	
Cc1ccc(I)c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1	565615658	MTPBVSBDMYHLIY-UHFFFAOYSA-N	424.307	5.083	30	20	HKED	
C=CCCOCCNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	573708288	OYYBGYYKYIIJAI-UHFFFAOYSA-N	413.370	5.103	30	20	HKED	
COc1ccc(-c2ccc(-c3noc([C@H](C#N)Cc4ccc(C#N)cc4)n3)cc2)cc1	574000751	JQLWFUVBNGRRGN-QFIPXVFZSA-N	406.445	5.134	30	20	HKED	
N#CC1(CC(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CC1	590319051	BZKBJTJMHMSIMX-KRWDZBQOSA-N	412.320	5.417	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)nc(C)n1	592975500	HGRSIXWZFBKDHR-OAHLLOKOSA-N	417.412	5.211	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3-c3ccccc3C#N)s2)cc1	602228914	JHMFFVCPELOXHD-UHFFFAOYSA-N	420.497	5.397	30	20	HKED	
Cn1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(Cl)c2ccccc21	604100732	NSTRBLVRCZTYGJ-UHFFFAOYSA-N	402.841	5.143	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccncc1	607757677	USUYXYLDUAOYEW-OAQYLSRUSA-N	402.498	5.547	30	20	HKED	
N#Cc1c(NC(=O)C2CCN(Cc3ccccc3)CC2)sc2c1CCCCCC2	608939739	KDBYEKRDCRJFLN-UHFFFAOYSA-N	407.583	5.129	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](c2ccccc2)O1	609516409	HQZQUDILIBTPQC-DFBJGRDBSA-N	412.489	5.147	30	20	HKED	
C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	610163652	HESPZTLKEZTVST-QGZVFWFLSA-N	420.896	5.027	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cccc(C#N)c1	610404807	NGMHFTDETKOAAX-VBKZILBWSA-N	420.513	5.259	30	20	HKED	
CSc1cccc([C@@H](NC(=O)N2CCC[C@](C)(C#N)C2)c2ccc(F)c(F)c2)c1	612375540	YEPPPSNWLYRVMO-IFMALSPDSA-N	415.509	5.111	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC	613392594	VEEIVCCPPIOULO-SFHVURJKSA-N	406.507	5.488	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)cc2cccnc12	678066663	LOOLJSDZWZHCOT-GHMZBOCLSA-N	408.317	5.013	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1-c1ccc(Br)cc1	726322827	ONGALIMIMWJWLR-OAHLLOKOSA-N	420.266	5.086	30	20	HKED	
N#C[C@@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccn1	728148282	YVKZHQZZRYFSGR-JOCHJYFZSA-N	413.908	5.547	30	20	HKED	
COc1ccc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)c(Cl)c1OC	730435791	CHNDKJWOAFQLQK-BJMVGYQFSA-N	411.654	5.081	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(NCCc2ccccc2)cc1	731809582	MDIBSGITBBWGFM-UHFFFAOYSA-N	410.477	5.157	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)ccc1OC	733324064	WFJLBNKZOWJTEE-YOEHRIQHSA-N	408.420	5.126	30	20	HKED	
COc1cc(C(=O)/C=C/c2cnc(-c3ccc(C)cc3)s2)ccc1OC(F)F	734306042	KFFYZFQYFZNFGR-CMDGGOBGSA-N	401.434	5.625	30	20	HKED	
N#Cc1c(NC(=O)Cc2cc(-c3ccccc3)on2)sc2c1-c1ccccc1CC2	736004734	QRGMOFFLJBVIFJ-UHFFFAOYSA-N	411.486	5.222	30	20	HKED	
COc1cccc2cc(/C=C3/COC/C(=C/c4cc5cccc(OC)c5o4)C3=O)oc12	741447219	JARWBEBVMHJZQV-WHYMJUELSA-N	416.429	5.263	30	20	HKED	
N#Cc1ccc(F)c(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1	742382002	WYHLJMASYRDHJC-UHFFFAOYSA-N	411.820	5.341	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c[nH]c3cc(C)ccc23)cc1	745948237	XSENEBDSANEXHB-VGOFRKELSA-N	401.510	5.270	30	20	HKED	
FC(F)Oc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1	747045637	HSGBOZGUMNGXRG-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)ON=Cc1ccccc1C(F)(F)F	749352753	MXFZDWXQNZWMRA-GFCCVEGCSA-N	414.811	5.054	30	20	HKED	
CC(C)(C)n1ccnc1SCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	749570029	CYICQMNNEGEGFG-HXUWFJFHSA-N	404.539	5.024	30	20	HKED	
CCN(CC)c1ccc2cc(C(=O)/C=C/c3coc(-c4ccccc4)n3)c(=O)oc2c1	749890998	GFAUWGOIEXJFJR-ACCUITESSA-N	414.461	5.190	30	20	HKED	
COc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	751014751	RPHBJIGHFAJNRY-UHFFFAOYSA-N	405.479	5.177	30	20	HKED	
CSc1cc(Br)ccc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1	755701637	VIRBEFGRPJCESJ-UITAMQMPSA-N	418.312	5.024	30	20	HKED	
CC(=O)C(C)(C)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	755750182	GQAHFPWRSGZVRQ-CQSZACIVSA-N	409.338	5.689	30	20	HKED	
C[C@@H](Cc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756527218	JEAPADBEBJGVQP-IFXJQAMLSA-N	405.910	5.390	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1	758236772	ZQMDXKGWEKOEFE-UHFFFAOYSA-N	404.539	5.607	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(C(C)C)cc1)[n+]1ccc(C(CC)CC)cc1	759053653	DOKVLWLZAPVRMC-UHFFFAOYSA-O	407.603	5.435	30	20	HKED	
C#CCCCCNC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	759096258	ZCTYEGWOZHFQFY-XDJHFCHBSA-N	404.535	5.155	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(COC4CCCCC4)c3)CCO2)c1	761843607	SVMQHIPDRKZIBO-DEOSSOPVSA-N	419.525	5.013	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CSCc3ccccc3)n2)cc1	772976583	ZBKDOAFLHOJYDF-OXQOHEQNSA-N	422.575	5.564	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)ccc1OC	772981009	XHMVIASPKVGVEH-MBSDFSHPSA-N	401.510	5.289	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C23CC(C(F)(F)F)(C2)C3)cc1	776644595	OFDIBESSZILRSI-UHFFFAOYSA-N	402.372	5.030	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1	776751447	WZCFVWPZNPVIHW-UHFFFAOYSA-N	418.566	5.592	30	20	HKED	
Fc1cccc(-c2nnc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)c1	780393062	VFFPUXCLQKMULF-OAHLLOKOSA-N	419.300	5.288	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(C3CCCCC3)c2C)cc1	781449152	RZAYJPIIOLCILF-KKSFZXQISA-N	406.530	5.171	30	20	HKED	
N#CC1(c2ccc(COC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)cc2)CC1	784104529	QBGURFFIEVTJET-UHFFFAOYSA-N	412.367	5.273	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1	795020521	USMKHKHISVLTLE-UHFFFAOYSA-N	403.454	5.619	30	20	HKED	
COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	796798902	RZJFDUJXCJWYAK-OXQOHEQNSA-N	418.518	5.213	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1C#N	799339851	WTLQUIPXYADWBP-UHFFFAOYSA-N	403.869	5.049	30	20	HKED	
CCO[C@H](c1noc(-c2ccc(C)c(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	809533212	XAOOKPFECIWYED-KRWDZBQOSA-N	405.351	5.201	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC(F)(c3ccccc3F)C2)cc1	814578113	WDSBOGDENQHUKQ-FQEVSTJZSA-N	403.432	5.194	30	20	HKED	
Cc1nc(NC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)sc1SCC#N	916088364	HPGBVKUZLLXPDQ-GORDUTHDSA-N	417.865	5.391	30	20	HKED	
O=C(/C=C/c1cccc(/C=C/C(=O)c2cc(F)ccc2F)c1)c1cc(F)ccc1F	916133450	PQPWMXHUPLEWJP-ZVSIBQGLSA-N	410.366	6.035	30	20	HKED	
CC(C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916654337	XZMSSAHJBURTBE-SFHVURJKSA-N	410.926	5.842	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COc2ccc3ccccc3c2)cc1	916954302	HLGZIRSHJDDBKS-UZUQRXQVSA-N	400.478	5.080	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(-c4ccccc4)o3)c(=O)c2c1-c1ccccc1	917538473	JHJYIBOTLWXEEE-UHFFFAOYSA-N	411.486	5.576	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1CC2	920102774	YQYIAVLYIJHCCY-LJQANCHMSA-N	410.498	5.509	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920142580	QTQVBGTZANYSQC-HNAYVOBHSA-N	403.532	5.180	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3)CCC2)cc1	1785840802	HHJZDHUNANGWFQ-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1	1789257291	SVGMTSFZBDRPPQ-UHFFFAOYSA-N	422.575	5.514	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(C)c(OC)c(C)c4)cc3)CCC2)C1	1790735195	KCFXTXXYGOOUEC-UHFFFAOYSA-N	418.537	5.026	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(F)cc1	7736963	XUDIABGZHHRQBP-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)cc1	10173282	PVYSECDOJJUSOG-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(OC)c2)[n+]2ccc(CC)cc2)cc1	11262129	DVQTZBSTIIUNME-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1Br	41534147	HXOQLUZTTMYOIC-CQSZACIVSA-N	413.296	5.071	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1	62375223	NJKSQLNDCNQOFA-UHFFFAOYSA-N	410.568	5.093	30	20	HKED	
CCc1nc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1	63112071	GJDVKSYHRSKDIR-UHFFFAOYSA-N	407.564	5.142	30	20	HKED	
Cc1cc(C)c(-c2csc(NC(=O)CCc3c(C)nn(CCC#N)c3C)n2)cc1C	105755051	QIBDUNFXHKOHIV-UHFFFAOYSA-N	421.570	5.034	30	20	HKED	
COCCOc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1	107842392	ZDNPXNNEYSHOQB-MDWZMJQESA-N	413.473	5.059	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C	409668262	XVYJGDGFRCLBDZ-LBPRGKRZSA-N	400.454	5.157	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnc3ccccc3c2C(F)(F)F)s1	430616155	FBSJMLMEGZKWTN-LBPRGKRZSA-N	403.429	5.498	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(C)(C#N)CC1	432317182	GFHDTBVBXUIMHX-UHFFFAOYSA-N	406.313	5.538	30	20	HKED	
C[C@]12CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C[C@H]1C2(F)F	432682123	PLIRKYGPHWIFFL-QFUCXCTJSA-N	415.871	5.504	30	20	HKED	
C=CCN(C(=O)c1sccc1C1CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	432712389	CNALEHBVCXVJLF-UHFFFAOYSA-N	411.508	5.490	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	433728129	LGCPSTFQIONFIK-KBXCAEBGSA-N	419.472	5.317	30	20	HKED	
FC(F)(F)C[C@@H](NCc1nccn1CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436404024	CGBKTOWZVYEFQO-GFCCVEGCSA-N	419.291	5.248	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(N[C@H](C)C(=O)Nc2ccccc2C#N)cc1	437153310	VXKDGPCPFDPKLL-MSOLQXFVSA-N	401.535	5.851	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)cc1	438500711	KDIOWPGUNMMBDL-UHFFFAOYSA-N	419.485	5.417	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1F	438666887	JBXQTXMGSMTHLC-KRWDZBQOSA-N	419.431	5.650	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	439662008	CBKCMERTHDWYNE-KRWDZBQOSA-N	403.457	5.546	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC2CCC2)cc1)c1nc(-c2c(F)cccc2F)cs1	442808676	IGWZEATUQSXTPM-INIZCTEOSA-N	410.445	5.510	30	20	HKED	
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NCc3ccc(C#N)c(C)c3)cc2Cl)n1	443995334	QOXVQOONWCBCDV-QGZVFWFLSA-N	421.932	5.145	30	20	HKED	
O=C([C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N(Cc1ccc(F)cc1)CC(F)(F)F	460458544	HCJWKOIFOMDEGI-SJORKVTESA-N	419.340	5.539	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1	460778205	KSSGHXBVVCXFNM-INIZCTEOSA-N	415.463	5.056	30	20	HKED	
CC(C)O[C@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1(C)C	463961893	RBKAFADLVWCERF-PKTZIBPZSA-N	421.541	5.045	30	20	HKED	
N#C[C@@H](C(=O)c1occc1CSc1ccccc1)c1cc(C(F)(F)F)ccn1	464412684	UIAIHAICDFYGBT-MRXNPFEDSA-N	402.397	5.476	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nc2ccccc2n1C(F)F	467071210	YQBVQMUTHYJQHC-KRWDZBQOSA-N	422.822	5.637	30	20	HKED	
N#CCc1cccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1	468253980	ZADPWNFYLCEDEW-UHFFFAOYSA-N	409.411	5.009	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473450365	AVCYAIYONOZGNN-CXAGYDPISA-N	420.365	5.463	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(NC(=O)CC(C)C)c1	475554567	SRWVWIVMJPPQNG-UHFFFAOYSA-N	407.558	5.845	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1ccc(-c2nc(CC)no2)cc1	475555391	LMYVJEKAOKLJJM-UHFFFAOYSA-N	418.541	5.515	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](c1ccccc1)C1CCCC1	476370346	QOQZMYXUAZOYPS-UUOWRZLLSA-N	407.583	5.540	30	20	HKED	
N#CC[C@@H](CC(=O)NCc1ccc(OCc2ccccc2F)cc1)c1ccccc1	476681416	AIFHYDNOKUFLCH-NRFANRHFSA-N	402.469	5.108	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(F)c(F)c1	477732112	QRKASJATDCOQST-OAQYLSRUSA-N	410.468	5.048	30	20	HKED	
Cc1cccc(-c2nnc(SCc3ccc(C#N)c(F)c3)n2Cc2ccco2)c1	478514740	FUCABYMYURQERV-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N[C@H](c2ccccc2)C(C)(C)C)nnc1-c1ccco1	480503613	TXNRJFBTJVDCFJ-HXUWFJFHSA-N	424.570	5.110	30	20	HKED	
C=C(C)[C@@H](N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)c(F)c1	481601216	CIUTVZHPUPTCAM-BBATYDOGSA-N	424.278	6.290	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1	482927118	JDSKWAOFINZVOZ-DYESRHJHSA-N	411.546	5.243	30	20	HKED	
N#C[C@@H](C(=O)c1ccnn1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	483466112	ZPJBBSCRONTLST-KRWDZBQOSA-N	404.882	5.139	30	20	HKED	
C[C@@H](Nc1cc(OC(F)F)n(C)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	488142098	QGSXDNCRRFHVNQ-SSDOTTSWSA-N	403.273	5.232	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1cccc(OC)c1	488897471	IEQOGDKJYOWSKF-MRXNPFEDSA-N	418.522	5.648	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1OCC(F)F	497530833	FPMCANHEPYHADF-MAUKXSAKSA-N	419.859	5.288	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1	497880370	GVMMWQJLQOSZHZ-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cs2)c1	501142146	MYPJRRMIXWFQBK-UHFFFAOYSA-N	416.531	5.295	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@@H](C)c2cc3ccccc3o2)cc1	507761580	XGLCSTFGUUDMPQ-KRWDZBQOSA-N	405.498	5.354	30	20	HKED	
CCN(C(=O)CSCc1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1	509561344	QORSCUHTXAUZSH-HNNXBMFYSA-N	417.372	5.164	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	509844494	NUWJYGZCHFVTEE-QUCCMNQESA-N	401.432	5.055	30	20	HKED	
CCN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510005229	MJZOLTQBMHOPLQ-JOCHJYFZSA-N	403.913	6.049	30	20	HKED	
C[C@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccc(C(F)(F)F)cc1	512951511	RMWOALRECZAXDU-MRXNPFEDSA-N	412.411	5.897	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(OC(F)F)cc1	513135622	MCEJIQZAINXYCR-INIZCTEOSA-N	422.431	5.230	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2)C(C)C)cc1	513866124	NYXIVHQGOHGHNW-UHFFFAOYSA-N	415.493	5.802	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1	518207453	LERVYIXLJKLRMQ-OAQYLSRUSA-N	421.541	5.094	30	20	HKED	
C[C@H]1CCCN(c2ccccc2OCC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	518338687	ONBGSKFEFGOKGB-RBUKOAKNSA-N	423.582	5.335	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1C(CC)CC	518508590	CDJUNHAOLYUZDR-UHFFFAOYSA-N	403.486	5.118	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2-c2ccccc2C1	518751239	LIHMFQLBAMLVOQ-SFHVURJKSA-N	413.546	6.296	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)n1	519032896	FGNYHJGXAVBAKI-UHFFFAOYSA-N	422.488	5.334	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4c3OCCO4)cc2Cl)cc1	519070615	PGFLPHDILMDSBJ-UHFFFAOYSA-N	406.825	5.027	30	20	HKED	
Cc1ccccc1-c1csc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1	521086374	TVMQIGQSVZGSAG-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1cccc(Cl)c1	521799559	AGQCJSZCXPUXII-AWEZNQCLSA-N	410.930	5.481	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1	522637831	PDIPXILZHNAGOZ-FQEVSTJZSA-N	412.917	5.425	30	20	HKED	
C=CC[C@H](C)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	522656926	UBBJZQMGJPLCQO-AWEZNQCLSA-N	405.420	5.352	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1Cl	524492320	SRLCOESEINIPJI-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cc1	525030184	LBTPBPJANIWEJN-UHFFFAOYSA-N	414.399	5.506	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCSc4ccccc43)c2)c1	525134661	CHWNNQNZGVHTTH-OAQYLSRUSA-N	413.502	5.029	30	20	HKED	
CSc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	525891184	OUCDOWFGAHBTAI-UHFFFAOYSA-N	419.525	5.331	30	20	HKED	
COc1cc(CN[C@H](CCC#N)c2ccccc2)ccc1OCc1ccc(F)cc1	533037932	JPRSHCHZKGPNSV-HSZRJFAPSA-N	404.485	5.548	30	20	HKED	
N#CCCCOc1cccc(CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1	533210631	BVFAXNQYZMUMRT-FQEVSTJZSA-N	400.906	5.192	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)cc1F	535158629	GJCXDOMRRKZLRI-IBGZPJMESA-N	409.442	5.050	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	535211808	MXFKIINYMADQQM-GFCCVEGCSA-N	408.474	5.273	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C#N)s1	535255556	VLTXSYQVYYJQSX-UHFFFAOYSA-N	409.536	5.483	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1	535419421	JLTSNHZFHWDLFA-GOSISDBHSA-N	400.478	5.246	30	20	HKED	
C=CCCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1	537189015	AVWIJIVKOBFXLE-AWEZNQCLSA-N	412.361	5.098	30	20	HKED	
C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(-c2cccc(C#N)c2)cc1	542001035	VUVUWNMDZASVMJ-QRWLVFNGSA-N	403.507	5.024	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1ccco1	542523492	YAJOCNCYRWUXNQ-UHFFFAOYSA-N	424.570	5.034	30	20	HKED	
COc1cc(CSc2cccc(Cl)c2C#N)c([N+](=O)[O-])cc1OC(F)F	543031915	AMOJVONSKDGJPA-UHFFFAOYSA-N	400.790	5.022	30	20	HKED	
Cc1nc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2[nH]1	548977859	BMFAAXHQFUUVST-IBGZPJMESA-N	400.869	5.433	30	20	HKED	
C[C@@H]1CC(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H](C)O1	549231479	NZVIEXXYPADCJG-RTBURBONSA-N	421.541	5.047	30	20	HKED	
Cc1c(C(=O)Nc2cc(F)ccc2Sc2nccn2C)sc2ccc(C#N)cc12	550344147	NUGHRGAGDJFKTO-UHFFFAOYSA-N	422.510	5.358	30	20	HKED	
N#CCCN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(F)cc1	554012844	IFLNMJYNMWPLHJ-UHFFFAOYSA-N	407.495	5.724	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN4CCCCC4)cc3)n2)cc1	558733001	ZALRXWFXPHTYEZ-JOCHJYFZSA-N	415.562	5.595	30	20	HKED	
CC1(C(=O)N2[C@H]3CC[C@H]2c2ccccc23)CCN(c2ccc(Cl)cc2C#N)CC1	561171482	HXTUPQMZMFTZMV-VXKWHMMOSA-N	405.929	5.237	30	20	HKED	
Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N)N(C)C	562878964	PDBIBPIBAORSLR-CECAUBDESA-N	410.587	5.060	30	20	HKED	
Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(-c4ccccc4)ccc3Cl)CC2)o1	571184471	AZBCCTUSXKPLCZ-UHFFFAOYSA-N	420.900	5.030	30	20	HKED	
C[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	576448300	OZFGJWYUJWQMPW-SSDOTTSWSA-N	422.316	6.050	30	20	HKED	
C[C@H](NCc1ccc(Br)cc1C#N)c1cccc(OCc2ccccn2)c1	583517707	IUNUFGGZSDBFRU-INIZCTEOSA-N	422.326	5.146	30	20	HKED	
N#CC1(CC(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)CC1	590201034	COLNJBOPUNCHMK-UHFFFAOYSA-N	410.342	5.086	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	601618183	ITNWJCCHVCXWAL-CYBMUJFWSA-N	407.401	5.233	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c2C)c1	603992511	XDFAQZSSRXEVBM-UHFFFAOYSA-N	424.529	5.440	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1	603995738	XUOLIEKETVNIRF-AOMKIAJQSA-N	413.477	5.098	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2)cn1	604005612	ZYNFXQOPKGFNCS-LJQANCHMSA-N	417.465	5.208	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1	604506142	JVTFBTDPJVIBRG-UHFFFAOYSA-N	423.900	5.691	30	20	HKED	
CC[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	606706111	BTFJENGWBNPMRS-ISTVAULSSA-N	418.328	5.188	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609057072	BAAAMUMOOZPWOP-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
COc1ccc(Cl)cc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N	609388116	INKGMSUVVKDSDH-AWEZNQCLSA-N	420.987	5.472	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609427318	WLCONIUTODSAPE-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)NCc1ccccc1Cl	609432403	JJEILBJSSHWTNJ-INIZCTEOSA-N	405.885	5.121	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1	609432755	PCHCVZDPFIVXLP-HXUWFJFHSA-N	400.522	5.775	30	20	HKED	
Cc1ccccc1CN1CCCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	609436700	CUZQERHPRBUQLL-FQEVSTJZSA-N	422.598	5.129	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	609460616	FFURUUPFWVJPHJ-INIZCTEOSA-N	401.215	5.326	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	609572955	CDTDGDLLHBQHKE-UHFFFAOYSA-N	414.509	5.169	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC3(c4ccc(F)cc4)CCOCC3)c2)c1	609620519	OWBZDSBUOOQHNX-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c3ccc(C#N)cc3)s2)cc1	610090072	KOYLUWHXKWLHOI-AEFFLSMTSA-N	418.566	5.762	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ncc(-c2ccccc2)o1	610094759	YNWAAFVGLDCAHN-QGZVFWFLSA-N	424.460	5.888	30	20	HKED	
COC(=O)c1c(CN[C@@H](C)c2cccc(C#N)c2)nc2ccccc2c1-c1ccccc1	610343180	AGWGRBASUUABOF-SFHVURJKSA-N	421.500	5.411	30	20	HKED	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1C	614397581	GJYWBSYCLXJBJZ-MRXNPFEDSA-N	403.448	5.125	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	616140755	PORJULHYPQMCFU-FQEVSTJZSA-N	401.510	5.119	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@H]1CCc2cc(C#N)ccc21	619554568	DSNCIGHXGHMPEC-SFHVURJKSA-N	412.276	5.246	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1ccc(C(F)(F)F)cc1	676760624	KGKNLTZHCVZQJH-AEFFLSMTSA-N	406.452	5.025	30	20	HKED	
Cn1cc([C@H](NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccc(F)c2)cn1	679331899	QKFWVPZPDGMSHH-CKEIUWERSA-N	423.376	5.148	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	732499178	LTIDNSWIJLLFDU-RDTXWAMCSA-N	414.502	5.835	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1	733031053	HVKQTSFEFZFOPX-QFIPXVFZSA-N	419.431	5.998	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)c([N+](=O)[O-])c1	733081403	XOAYDEQEDJMMPD-FNORWQNLSA-N	415.814	5.176	30	20	HKED	
COCCOCc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	733622715	YCHNGVBVYIMHDC-XMMPIXPASA-N	415.493	5.149	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=S)Nc2ccc(Oc3ccccc3)cc2)c1	733755571	VMLVLOYEYBUTIA-FQEVSTJZSA-N	417.534	5.646	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(Br)cc3ccccc23)c1	733772111	ZYVBQLAZSCJKKA-SFHVURJKSA-N	423.310	5.213	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccncc1	734235599	JYALALFCGWKRGD-LJQANCHMSA-N	418.884	5.228	30	20	HKED	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(C#N)nc4)n3)c2C)cc1	734314437	LXPSRIRNTGXLLK-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2nccc3ccccc23)cc1)Nc1ccccc1	740764167	NAXZPFPCGMUSGG-PFONDFGASA-N	408.457	5.148	30	20	HKED	
C[C@H](Oc1cccc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)c1)C(=O)O	741843797	QLMLRAXGJIFFPX-KADSFNECSA-N	410.413	5.089	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	744027619	AEBJGKRPJKIHJY-ILXRZTDVSA-N	407.684	5.098	30	20	HKED	
N#C[C@@H](C(=O)CSCc1cscn1)c1nc(-c2ccc(Cl)cc2)cs1	747204729	KVKNMDRAMUHZPD-AWEZNQCLSA-N	405.957	5.030	30	20	HKED	
CC(C)(C#N)CCCSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1	747805704	ZWXCGLCBYDHPFX-HMMYKYKNSA-N	407.514	5.633	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	750219736	UMVSVYAALTZSMV-NSHDSACASA-N	403.225	5.400	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)C	769123585	XCRRUDSLJPRMIU-LEWJYISDSA-N	421.541	5.220	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)c(Cl)c1	769730723	NEBQOBWLYRJFKF-UHFFFAOYSA-N	406.269	5.464	30	20	HKED	
C=CCNc1ncc(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)s1	771023465	AKKMHSUHXSGSEW-MRXNPFEDSA-N	407.539	5.250	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(OC)c(C(C)C)c(OC)c2)cc1	781449793	VTPAFHPWBYEFKO-FQEVSTJZSA-N	422.525	5.131	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc(OCC#N)c1	783587121	GIQSCLZBUKUFBC-LBPRGKRZSA-N	411.811	5.090	30	20	HKED	
Cc1cc(C)c(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1	784491757	ZGQLTKYGCQUIER-JOCHJYFZSA-N	412.489	5.294	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1NC(=O)OC(C)(C)C	797567796	LWZSKAUVOAQFCO-HNNXBMFYSA-N	413.543	5.586	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCSc2nc3ccccc3s2)s1	797568444	RPMQSSOKQPQWOG-LBPRGKRZSA-N	401.582	5.409	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)N3CCC(C#N)(c4ccccn4)CC3)sc2c1	800120297	POGKBQNBVZINBA-UHFFFAOYSA-N	423.969	5.771	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Cc3cncc4ccccc34)n2)cc1	805856216	WFZPJNOYRVFRBY-VGOFRKELSA-N	411.530	5.722	30	20	HKED	
CC(C)(C)Sc1ccc(-c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)cn1	809439607	CNTVUNGJSYGZFU-INIZCTEOSA-N	423.517	5.027	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1	810529872	QCQQXNKBMXSGTO-QGZVFWFLSA-N	422.843	5.161	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)C[C@H](C)c3ccc(F)c(Br)c3)[nH]c12	813070607	UWXQAPSZAGQZJM-GXTWGEPZSA-N	414.278	5.143	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccccc1OCc1ccccn1	819840724	WHOZNLRMEXFCOD-UHFFFAOYSA-N	416.359	5.034	30	20	HKED	
CC(C)n1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c(C2CCOCC2)n1	856598129	QLHNIWPZQSTEOM-UHFFFAOYSA-N	419.550	5.072	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)c1nc(-c2ccccc2OCc2ccccc2)no1	904466989	SOPKAZIDIWTDCD-UHFFFAOYSA-N	411.461	5.501	30	20	HKED	
Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c1	916212776	YCMXQPCOQVWYFR-OAQYLSRUSA-N	421.566	5.043	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916681846	ZXTVMICCNNUYEI-AOMKIAJQSA-N	405.448	5.845	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	917119388	BVDSZUHOPQWSDG-QHCPKHFHSA-N	412.493	5.124	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)C[C@@H]1CCCO1	1507858662	HIVSXAQVEONLBQ-IBGZPJMESA-N	402.970	5.000	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1	1789093604	XBIIVKURTWGXKM-UHFFFAOYSA-N	423.463	5.127	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1	1791244579	VSPPHICEAKYLTB-INIZCTEOSA-N	404.501	5.158	30	20	HKED	
C=CCn1c(C)cc(C(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)c1C	7106774	PTAQKFGTWIVXBJ-UHFFFAOYSA-N	414.914	5.108	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1	17897996	QAWJRQIFZCCIMO-UHFFFAOYSA-N	422.531	5.135	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(F)cc1	24014734	MFQIUXJWQPSROV-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
CC(=O)c1sc(/N=C(\O)c2sc(-c3ccc(C)o3)nc2C)nc1-c1ccccc1	33151801	ZDLOLYRCMSHHFN-UHFFFAOYSA-N	423.519	5.982	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	64743074	UIZXCSSCWFGNSJ-FQEVSTJZSA-N	410.477	5.002	30	20	HKED	
C=CCc1cc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc(OC)c1OC	78655187	YZWHRLGDAFHWPU-HNNXBMFYSA-N	408.523	5.047	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1	78720105	WDZMBRSLWYLFTI-XYPHTWIQSA-N	415.356	5.586	30	20	HKED	
C=CCc1ccc(OCC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)c(OC)c1	303036173	VCXCAPWMMOVJKG-INIZCTEOSA-N	422.550	5.112	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C	303297246	CBBQKNGNBKRJFY-OPAMFIHVSA-N	413.562	5.393	30	20	HKED	
Cn1nc(-c2ccsc2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	428065830	WVLCIGHYJWKBLM-UHFFFAOYSA-N	416.531	5.424	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(NC(=O)c3cccs3)cc2)s1	430614589	ZLNQUSZGPNSRQU-OAHLLOKOSA-N	409.536	5.244	30	20	HKED	
Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	432763132	AIKSFYYOGNRDML-JOCHJYFZSA-N	408.571	5.105	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	434123847	FLEVXOKXIBULHY-UVQFAXKASA-N	422.516	6.168	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1nn([C@H](C)c2ccccc2)cc1C	434183602	OQXDECPSGNTPFM-LJQANCHMSA-N	402.542	6.297	30	20	HKED	
C=CCC[C@@H](NC(=O)N(CC)CC1CCN(c2ccccn2)CC1)c1ccccc1	435101202	AQJLSIVSHWCNQH-HSZRJFAPSA-N	406.574	5.037	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1	435101826	RIKWZUCOESZNLD-IRXDYDNUSA-N	423.504	5.758	30	20	HKED	
CN(C(=O)c1ccccc1-c1ccccc1C#N)c1nc2cccc(Cl)c2s1	436382029	CDNGXGMTHPLMAV-UHFFFAOYSA-N	403.894	5.765	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1	437498268	PQXGNKUKGGBBMW-CVDCTZTESA-N	402.494	5.028	30	20	HKED	
CCc1ccc([C@@H](COC)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1	438227659	RLRUPADKOQXUEZ-OAQYLSRUSA-N	405.454	5.015	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1	438853434	DKPGZFNQNDSHFT-IRLDBZIGSA-N	404.901	5.169	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)C1CCN(CCC)CC1)c1ccc(C(F)(F)F)cc1	442281976	ZCWQKYVAXVTHCN-HXUWFJFHSA-N	411.512	5.229	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1C#N	445556138	FCFAVVWFEBZLBS-UHFFFAOYSA-N	421.284	5.164	30	20	HKED	
Cc1ccc(Br)cc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N	447790340	XJVBMGRSJMWAPO-CQSZACIVSA-N	419.344	5.169	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1	462923067	KFLREFZTHUNBCR-DHLKQENFSA-N	412.489	5.309	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2ccc(F)c(F)c2)nnc1-c1ccncc1	463028714	OPSXFNBNNIGKIX-NRFANRHFSA-N	420.488	5.686	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C	463757324	VADJWDZVORQEPF-ZDUSSCGKSA-N	417.456	5.844	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccccc2-c2ccccc2C#N)cs1	463973069	LODHOKPSVDDVFO-INIZCTEOSA-N	405.523	5.051	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32	464247942	BLBYFOZGTHMRFO-QGZVFWFLSA-N	410.498	5.430	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nc2cc(Cl)ccc2s1	464518529	ZUJGSZWMSHAZKF-JTQLQIEISA-N	414.824	5.108	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	467155593	QTKBFGTYOUPKAB-INIZCTEOSA-N	417.513	5.493	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccccc3OC3CCCC3)ccc21	469150102	JNCANUAPGPMBEO-UHFFFAOYSA-N	403.526	5.203	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1F	469773301	XBFFSPXHQJTMHP-UHFFFAOYSA-N	411.452	5.653	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C(F)(F)F)o1	471784013	ZHEGTNURXIOYCX-UHFFFAOYSA-N	414.383	5.618	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)n1	474430455	FNLGMLQQKIQASN-OAHLLOKOSA-N	419.535	5.066	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)cc1F	475903577	XEMYAKBESBXHEI-CLOONOSVSA-N	419.475	5.385	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)COc1ccc(Br)cc1Cl	476077626	FIJULQIEQHHQPR-UHFFFAOYSA-N	422.750	5.972	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1	476253563	WFTFJXSEGBYSDC-DNQXCXABSA-N	418.537	5.127	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1	476855947	UFAYDTFLEZJLJA-IBGZPJMESA-N	412.917	5.341	30	20	HKED	
CCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1C(CC)CC	482711692	UOPCHCGEWVVJBC-UHFFFAOYSA-N	403.486	5.118	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C#N)cc3)n2)cc1[N+](=O)[O-]	483132201	DLDXUWGMGNHCPA-UHFFFAOYSA-N	406.467	5.080	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](c2ccncc2)C(C)C)cc1	493975964	FNNROGVIGZFTHU-HSZRJFAPSA-N	401.466	5.132	30	20	HKED	
Cc1cccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)(C)C)c1	494046834	HAFOAWJETOEJHO-DYESRHJHSA-N	423.582	5.089	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cc(Cl)ccc1Cl	498343395	GNQWNFWLJBSXPS-UHFFFAOYSA-N	412.276	5.542	30	20	HKED	
N#C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(Br)cc1	499390084	RXBLGIRHEDMLAB-LJQANCHMSA-N	411.324	5.075	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(C(C)C)c1C1CC1	499625518	IHDBYSGHJRRQHX-UHFFFAOYSA-N	400.482	5.566	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(F)c(Cl)c3)c2)cc1	501446072	APQAKWWKLARJKN-UHFFFAOYSA-N	424.859	5.142	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nccc4ccccc34)s2)c(F)c1	502740589	MQQKTCAQVQACDO-SFHVURJKSA-N	417.465	5.305	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	503188322	ISURFZCRWXQSFD-RPWUZVMVSA-N	419.484	5.949	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3cccc(F)c3C2)cc1	503629990	UFTTUFCSLVJPQX-UHFFFAOYSA-N	415.468	5.061	30	20	HKED	
N#Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1	504813289	LTFNBKGEWBSIDL-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510522537	QFTCICQNIDSAST-KRWDZBQOSA-N	401.466	5.199	30	20	HKED	
C=CCOc1ccc(CNCc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)cc1	512562196	QXYKVSAZADJYBJ-UHFFFAOYSA-N	405.542	5.168	30	20	HKED	
CC[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(Cl)s1	512575987	CVRDQTSKSDENRU-JCYILVPMSA-N	417.962	5.414	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1	519070059	KROUAHNOFJCHII-IBGZPJMESA-N	406.551	5.367	30	20	HKED	
N#C[C@H](C(=O)c1csc2c1CCCC2)c1nc(-c2c(F)cccc2F)cs1	520431273	BZOZJFHVNLJETA-GFCCVEGCSA-N	400.475	5.519	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccccc1)c1ccccc1	521733188	AMTPXPIAAVRHTO-WZONZLPQSA-N	402.519	5.697	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	521768299	BKODVIYDFSHRCJ-IFXJQAMLSA-N	403.309	5.193	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1	521886125	LJVMZZBWVOJREF-LJQANCHMSA-N	404.432	5.252	30	20	HKED	
CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccc(OC)c1	523879285	AQQDHOZQMNEDDB-UHFFFAOYSA-N	406.869	5.679	30	20	HKED	
Cc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C	527343165	MZVAQMJOYSKOFA-UHFFFAOYSA-N	419.868	5.198	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1C1CC1	534839436	LNFCFOZQWQJRHX-QAPCUYQASA-N	404.539	5.654	30	20	HKED	
C=CCN(C(=O)c1c[nH]c2cccc(Br)c12)c1nc2c(s1)CCCC2	536908746	HUHONTBKNMOWPN-UHFFFAOYSA-N	416.344	5.099	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(C)ccc2SC2CCCC2)n1	537381615	IDWPICBQHUGCEG-MRXNPFEDSA-N	414.552	5.153	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(Oc3ccccc3)cn2)sc2c1-c1ccccc1CC2	539152862	FLLLDPBLLQEYFU-UHFFFAOYSA-N	424.485	5.220	30	20	HKED	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1	541054639	PXLHNTYENKRVOZ-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C(C)(C)C)no1	542077209	HUGPGPNYLKVWOG-CVEARBPZSA-N	417.513	5.027	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl	544303241	WNERGGJNSKKPHM-ZDUSSCGKSA-N	422.312	5.115	30	20	HKED	
C[C@H]1N(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCC12CCOCC2	544466715	HJKDKRXTALBIQM-MRXNPFEDSA-N	410.901	5.035	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(CNc3ccncn3)c2)cc1	544509262	OZTONHAOZTVYRZ-UHFFFAOYSA-N	421.460	5.005	30	20	HKED	
CO[C@H](c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1)c1ccccc1Cl	546518288	WDHLTUBRTBJXMK-GJCOWUBNSA-N	418.884	5.498	30	20	HKED	
C=CCn1c(S[C@H](C)c2nccn2-c2ccccc2)nnc1-c1ccccc1OC	553378337	QGKVPAOHSMSUKV-QGZVFWFLSA-N	417.538	5.179	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2ccc(Oc3cccnc3)nc2)c1	554030737	LWADBBIPFOMZLS-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H]1OCCc2sccc21	558078640	LYKRCPYCPYOHKW-MWTRTKDXSA-N	418.518	5.039	30	20	HKED	
CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	572009214	BSIJRVUUHGDURG-UHFFFAOYSA-N	416.325	5.065	30	20	HKED	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)c1nc(COCC(F)(F)C(F)F)no1	575162237	UIQZGHLNDSCJGW-NSHDSACASA-N	414.321	5.242	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1)c1ccccc1	580360141	KBJCOPFIJFUDEH-ZWKOTPCHSA-N	420.479	5.035	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1	591687128	IMABOEIAMQEKQP-UHFFFAOYSA-N	423.497	5.791	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1	603996852	ZNKBOXQBHCXQMS-RDTXWAMCSA-N	407.539	5.126	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	608869000	ZSARCNNOHFQDFP-UHFFFAOYSA-N	417.309	5.054	30	20	HKED	
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609055025	ONOJYCLBRVGARY-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
CN(C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1ccc(C#N)cc1F	609217623	LSYQKECGUQHJKX-UHFFFAOYSA-N	415.287	5.465	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609299277	CBCLIDMZCBUUHD-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1SCCC#N	609375462	ACNMWZYUJNVRGV-UHFFFAOYSA-N	420.538	5.165	30	20	HKED	
Cc1cccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	609378405	KLNRCFYSHDTKRG-CQSZACIVSA-N	408.445	5.426	30	20	HKED	
COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccccc1SC[C@H](C)C#N	609398003	ASISHLKKQAGAKV-GOSISDBHSA-N	411.571	5.236	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1	609402867	FZLPJARUXVMAGK-GJZGRUSLSA-N	410.568	5.773	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)c1	609432642	CFQZLXUNBTZMNL-FQEVSTJZSA-N	400.522	5.775	30	20	HKED	
COc1ccc2cc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1	609433006	KMCDUZHMPLPSAR-MRXNPFEDSA-N	405.523	5.564	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(COC3CCCC3)cc2)o1	610054493	LWEAKYSWFXHKQI-UHFFFAOYSA-N	416.477	5.442	30	20	HKED	
CC(C)CC[C@@](C)(O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610141391	DVYGUTQQAFMSBU-NZQKXSOJSA-N	413.949	5.304	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)c2)c1	610171601	OHJAAEONCYUVLJ-RTWAWAEBSA-N	404.416	5.158	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21	618783903	MIBXMGWKULMDRH-AREMUKBSSA-N	417.512	5.428	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	684254243	YPBOHQMDINXGMP-HOTGVXAUSA-N	422.413	5.684	30	20	HKED	
CN(CC#CCN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1	685054734	IBKQCYBCMUUBCU-BALXVJCKSA-N	412.462	5.096	30	20	HKED	
N#C[C@@H](C(=O)CN1Cc2ccccc2-c2ccccc2C1)c1nc2ccccc2s1	726184016	ISPVSGVSNKSLJY-NRFANRHFSA-N	409.514	5.155	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2ccc(C(C)(C)C)cc2)c1	727039364	WMQITCVLQMHSJI-QFIPXVFZSA-N	406.526	5.053	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3C(F)(F)F)n2)cc1	729892889	PAKHEWRALHDUQX-MRXNPFEDSA-N	411.408	5.120	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1ccccc1OCC#N	730201893	DVONSMUFLDYAFC-ZDUSSCGKSA-N	411.914	5.165	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	730483878	YUXUJNJYXHXYSZ-UHFFFAOYSA-N	402.441	5.140	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1Cl	731941903	CQGNFQPLTQBMDI-UHFFFAOYSA-N	412.921	5.408	30	20	HKED	
N#Cc1ccc(CC(=O)O[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1	731994157	LRBOSJXWINAUQG-INIZCTEOSA-N	412.205	5.100	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1ccc(N2CCc3sccc3C2)cc1	732428989	DEDZSGOHKCOEAI-UHFFFAOYSA-N	419.550	5.197	30	20	HKED	
COc1ccccc1-c1nc(CSCc2cc(Cl)ccc2OCC#N)cs1	735319194	VYZQLTBJYJCMKC-UHFFFAOYSA-N	416.955	5.808	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3ccccc3F)oc2C)cc1	739156479	XWSGVUVSYAJZGC-KUHUBIRLSA-N	419.456	5.264	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	739160729	MRPHUODGTKOGIU-GUYCJALGSA-N	415.440	5.279	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCOc4c(Cl)cccc43)c2)s1	740061804	QHNPOHGDDIVVCH-LJQANCHMSA-N	423.925	5.263	30	20	HKED	
C#CCOc1ccc(C(=O)N(CCC)[C@@H](c2cccnc2)c2ccc(F)cc2F)cc1	741686134	FCQLBNBFJHYVSM-DEOSSOPVSA-N	420.459	5.014	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c[nH]c12	744030544	HINNRIWRFUDTNK-MRXNPFEDSA-N	414.292	5.063	30	20	HKED	
COc1ccc(CCC(C)=NOCC(=O)Nc2ccccc2-c2ccccc2)cc1	744179246	IBCUYFUSWRMUBO-UHFFFAOYSA-N	402.494	5.326	30	20	HKED	
COc1sc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc1Br	746520233	MWTBKCWDRSSMTO-SREVYHEPSA-N	400.297	5.477	30	20	HKED	
CCCCCOc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OC	748583343	AKZAYUPKWQDNHI-WUXMJOGZSA-N	409.482	5.117	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)c1ccncc1	748973339	VLNWCEMNCLEVKP-DHIUTWEWSA-N	423.919	5.922	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(F)c1F)C(=O)Nc1ccccc1Oc1ccccc1	750392105	MLHDXSRSJXYJMH-SFHVURJKSA-N	420.415	5.037	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CCC2	751109274	QCQOHHKTJLYWCD-CZIZESTLSA-N	424.548	5.163	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)o2)cc1C	758468398	ZWGMTIHAXKZTHE-IBGZPJMESA-N	424.504	5.977	30	20	HKED	
COc1cc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1F	765617473	PNQIREYAKVOYSN-FMIVXFBMSA-N	409.844	5.636	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1	768017825	RXLSITMFZJRZGF-UHFFFAOYSA-N	412.461	5.175	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c1	769228122	PJGWKQABYGDQJF-IBGZPJMESA-N	403.404	5.367	30	20	HKED	
O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(OC(F)F)cn1	774130692	MXTOVPADLULLHT-GFCCVEGCSA-N	415.236	5.162	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@H](C#N)c2nc3ccccc3s2)c1	777289852	BBQLUYLRFFQACV-INIZCTEOSA-N	407.495	5.062	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)C2(c3cccc(Br)c3)CCCCC2)n1	779189313	OMYOSVRLSTVEAU-INIZCTEOSA-N	403.345	5.292	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	780022556	FNFFAQIXQOTVJB-CJNGLKHVSA-N	407.461	5.159	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Br)c1Cl)c1ccc(Cl)c(Cl)c1	780023741	NIFUFCQRXUAHIV-ZDUSSCGKSA-N	418.505	5.404	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c3c(C)noc3n2)cc1	780150825	WRVTYABJHDKFPJ-HNNXBMFYSA-N	412.449	5.050	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(C)o2)s1	781762625	DKRRJRISNLRVMH-QGZVFWFLSA-N	406.507	5.403	30	20	HKED	
Fc1ccccc1-c1nc2c(s1)C(=NNc1nnc(-c3ccccn3)s1)CCC2	788029321	UIGHWHGQSQBANI-UHFFFAOYSA-N	422.514	5.015	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2ccc(SCC(F)F)cc2)c(-c2ccncc2)n1	788355908	QDCOQWMEKDKIGL-DAXSKMNVSA-N	424.476	5.112	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc(Br)c(Cl)c1	790465435	UUBOFKGRFHQQHQ-SNVBAGLBSA-N	410.724	5.144	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)n1	790785640	NKLHUPBWNFQAKW-MRXNPFEDSA-N	413.543	5.423	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C[C@@H](CC#N)c2ccccc2)C1	793512410	KYOYHPHQISDFNI-LJQANCHMSA-N	419.525	5.006	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)cc(F)c(F)c2F)cc1	797520441	FUPPPVZSZMQOLW-INIZCTEOSA-N	413.374	5.220	30	20	HKED	
CC(/C=C\C(=O)c1cccc(N2CCOC2=O)c1)=C\c1ccccc1C(F)(F)F	799893581	SOWXNJCZUXRIIW-JZZUDSPYSA-N	401.384	5.504	30	20	HKED	
COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)CCCCCC#N	805852986	JOQJTXGNCDCICU-UHFFFAOYSA-N	416.477	5.480	30	20	HKED	
CC(=NNc1cc(C)ccn1)c1sc(-c2ccccc2Br)nc1C	814868143	VMZOHKIPUVRIQE-UHFFFAOYSA-N	401.333	5.421	30	20	HKED	
CC(=NNc1nccnc1C1CCC1)c1ccc(Br)cc1Br	814931980	JMVBZULQBVRYMR-UHFFFAOYSA-N	424.140	5.105	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1F	817319169	LQUIMLWHXQRSGL-IBGZPJMESA-N	411.477	5.338	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)nc2ccccc21	916843574	NUOVVZBVUPQGIE-KSEUIEODSA-N	401.466	5.331	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C3SCCS3)cc2)cc1	916914715	RWKVHLUPOPPFIZ-HXUWFJFHSA-N	424.591	5.469	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2ccccc2Cl)o1	916936287	GMFCHWHJVMEXCG-CYBMUJFWSA-N	417.223	5.354	30	20	HKED	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917040704	NKJIARUSXKKEOX-DICRZQGBSA-N	403.473	5.085	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(C(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	917047148	SAPBLMOYBSANLZ-CYBMUJFWSA-N	410.804	5.224	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	917119822	YADMZZRDHDAJPU-GAJHUEQPSA-N	402.519	5.470	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1cc2cc(Br)ccc2o1	917142355	ARGGGKNPVUBQEU-VURMDHGXSA-N	405.251	5.548	30	20	HKED	
C[C@H](OC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)Nc1ccccc1C#N	917323790	QRHJJGZAFUTBQX-KRWDZBQOSA-N	416.502	5.035	30	20	HKED	
C[C@H](COc1cccc(F)c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	918548254	QYORLOUWRLQAHQ-HXOBKFHXSA-N	403.457	5.070	30	20	HKED	
O=C1/C(=C/c2ccccc2OCc2cccnc2)COc2c(Br)cccc21	920067177	UCXPWULSHIMFSQ-GZTJUZNOSA-N	422.278	5.082	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C4CC4)cc3)CC2)C1	1804866850	PORIAINBRNLXQA-UHFFFAOYSA-N	422.613	5.401	30	20	HKED	
COc1ccc(-c2nc(/C=C3\S/C(=N\c4c(C)cccc4C)NC3=O)cs2)cc1	17699219	LOYRPBXXHDGSAK-WQRHYEAKSA-N	421.547	5.327	30	20	HKED	
N#Cc1ccc(CCC(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cc1	24698990	JQWKANXUHGEDRS-QPJJXVBHSA-N	424.500	5.009	30	20	HKED	
COc1cccc(NC(=O)[C@@H](Nc2cccc(OCCCC#N)c2)c2ccccc2)c1	56199950	ICKFFPIFSMDNHW-DEOSSOPVSA-N	415.493	5.170	30	20	HKED	
C=C(C)COc1cc(CNCc2ccc(Oc3ccc(F)cc3)nc2)ccc1OC	60948308	CAMZQUXRZIGZRF-UHFFFAOYSA-N	408.473	5.266	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1N1CCc2ccccc21	63391098	SWTHGNWCTDBEEP-UHFFFAOYSA-N	408.505	5.473	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1	64456189	BBRUXBQCYZDBPG-UHFFFAOYSA-N	411.486	5.610	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(OCC)c(OCC)cc2Br)cc1	65871984	BULQJEMWKZEWCB-UHFFFAOYSA-N	420.303	5.064	30	20	HKED	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C1	117122025	FMVZSTIOMIQNCK-WOJBJXKFSA-N	421.610	5.197	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cccc(F)c2)cs1)c1ccc(F)cc1F	208326101	BYONGNBAAMXFOV-VURMDHGXSA-N	402.397	5.141	30	20	HKED	
N#Cc1ccc(CCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1	303022166	PAVGVVVLEBBAHG-UHFFFAOYSA-N	400.444	5.138	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CC)c1cccs1	409535404	NWZDBQHQQFXDJP-MRXNPFEDSA-N	411.340	5.499	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	430926872	PFHVRNKEXOGVNS-SFHVURJKSA-N	423.538	5.372	30	20	HKED	
CSC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	432766383	CEBZEUDFEZWQEA-INIZCTEOSA-N	415.946	5.611	30	20	HKED	
COc1ccc(C#N)cc1CNc1cc(C(=O)N(C)c2ccccc2)ccc1Cl	434890272	VLNAGMDCRUTZQC-UHFFFAOYSA-N	405.885	5.109	30	20	HKED	
CC(C)C[C@@H]1COCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437737606	PBNLQMZFCYIWLS-TZIWHRDSSA-N	411.933	5.274	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@@H](C)c2c(F)cccc2F)cnn1-c1cccc(C#N)c1	439697440	SSAHIXFENRFZBI-HNNXBMFYSA-N	423.467	5.200	30	20	HKED	
Cc1ccc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	442877628	XEPGWEMAWSLYCW-QGZVFWFLSA-N	422.307	5.243	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(C(F)(F)F)cs2)cc1	443602753	KNGPPBARDNSXLV-UHFFFAOYSA-N	405.420	5.375	30	20	HKED	
N#Cc1ccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1C(F)(F)F	462174751	IORLPVRVLKDYRW-UHFFFAOYSA-N	412.293	5.258	30	20	HKED	
C=CCn1c(SCc2ccccc2OCC(F)(F)F)nnc1-c1ccoc1C	463036281	JZFMLMFPWKGJPK-UHFFFAOYSA-N	409.433	5.266	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC(c3ccccc3F)C2)cc1Cl	463488416	CZKMHJHSPPQFNW-NRFANRHFSA-N	419.887	5.766	30	20	HKED	
C=CCCN(C)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	466569797	JZOXBVLOZQYFPW-UHFFFAOYSA-N	411.889	5.614	30	20	HKED	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	467578222	NCOXACXCZYNZQY-KGLIPLIRSA-N	401.482	5.368	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN2Cc2ccccc2)cc1Cl	468412574	UWCPLLRWBQMYBE-ISKFKSNPSA-N	415.924	5.208	30	20	HKED	
C[C@H](c1nnc(SCc2cc(F)ccc2C#N)n1-c1ccccc1)N1CCCCC1	469038640	UEHVWZISDABNCX-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	475601640	NSKNOWAQQYOMED-ZACQAIPSSA-N	415.990	6.248	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)c1ccccc1	476665925	IHDJKQKMKRBWIJ-YADHBBJMSA-N	414.509	5.268	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(Cl)c(C#N)c3)c12	478111950	OBOAHEWTTDHDIQ-UHFFFAOYSA-N	409.921	5.396	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCCOc4c(F)cccc43)c2)c1	478273765	KUXFXFUCTPSNQB-XMMPIXPASA-N	402.469	5.280	30	20	HKED	
N#Cc1ccc(-n2ccc(NCc3nc(-c4ccccc4Cl)cs3)n2)c(F)c1	478378467	NBOHVOYRJOZVDN-UHFFFAOYSA-N	409.877	5.272	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)cc1	483804679	XZDSOZOIWWTSEO-UHFFFAOYSA-N	411.221	5.521	30	20	HKED	
CCCc1nc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	485708631	HWTSBROXOVOXTI-UHFFFAOYSA-N	407.564	5.820	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12)c1ccccc1	487596979	TZSVOWJASMWUMM-FUDKSRODSA-N	423.354	5.204	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1cnccn1	488883090	WIILYURXNGGWQY-HXUWFJFHSA-N	419.941	5.456	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1	490685547	RPNPCGCZAWYAQP-UHFFFAOYSA-N	423.520	5.207	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC3	492183010	XODNWIUZOUZQLS-DLBZAZTESA-N	418.566	5.550	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1Br)c1ccc(OCC2CC2)c(F)c1	492770089	LIEFBKUHDGYREC-CYBMUJFWSA-N	403.295	5.099	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H](c1ccccc1)c1ncc[nH]1	492995952	UPOQOSJHPFZPSJ-QHCPKHFHSA-N	424.529	5.294	30	20	HKED	
C=CCN(C(=O)Nc1cccc(-c2ccccc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1	495459597	GBKPXYBJPCQZEW-LJQANCHMSA-N	424.508	5.110	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1C(F)(F)F	499349009	KZBMPGZRLFWIQC-CYBMUJFWSA-N	413.264	5.340	30	20	HKED	
N#C[C@@H](NC(=O)CCCCOc1ccc(Br)cc1)c1ccc(Cl)cc1	499833932	MUSXOESAIDNFDW-GOSISDBHSA-N	421.722	5.033	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C(C)C	501617537	HPAYLWFPQTWKRQ-UHFFFAOYSA-N	416.525	5.773	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(OC)cc1OC)CC1CC1	504791955	BUVKUOGTLAQNNW-UHFFFAOYSA-N	422.569	6.000	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](c3ccccc3C)C2)cc1C	504888973	MEXAMRICUFCKRE-QFIPXVFZSA-N	412.537	5.019	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCOc1ccccc1	510519933	JLLLRZIVMNSETG-UHFFFAOYSA-N	401.466	5.250	30	20	HKED	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	510609094	OYTCCFJGXMYBDL-VWLOTQADSA-N	411.505	5.449	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	511748849	VJPFVTGYPWRZIP-AWEZNQCLSA-N	423.419	5.508	30	20	HKED	
Cn1c(SCc2cccc(C#N)c2F)nc2scc(-c3cccs3)c2c1=O	513251674	DDVJRRVOCPMVPA-UHFFFAOYSA-N	413.524	5.027	30	20	HKED	
N#Cc1ccc(CSCc2coc(-c3ccc(Br)cc3)n2)c(F)c1	516381273	MIQFKVNEZRXBGS-UHFFFAOYSA-N	403.276	5.548	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCC1	517532799	MDPWWDBGSCQUBT-VGSWGCGISA-N	421.566	5.067	30	20	HKED	
COc1ccc(CNC[C@H](C)c2c(Cl)cccc2Cl)cc1OCCCC#N	517550578	FEBHNQPJQDXUJM-HNNXBMFYSA-N	407.341	5.578	30	20	HKED	
CCc1ccsc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	517793084	HKDNUIZJYQTNFS-CYBMUJFWSA-N	407.347	6.231	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CS[C@@H](C)c2ccc(Cl)cc2)cc1	521614964	JIWASVWSUDCLOJ-INIZCTEOSA-N	402.947	5.480	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C(C)(C)C)cs1	522304119	QYEUWGNSQICLQA-INIZCTEOSA-N	419.550	5.382	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	522471519	WMORJJQOGFUKSR-GOSISDBHSA-N	417.484	5.179	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1	522590236	LVCBAOKHVCJWAS-UHFFFAOYSA-N	405.267	5.145	30	20	HKED	
Cc1ccc(C)n1C1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1	523745004	YLEOKYFLCOCEKW-UHFFFAOYSA-N	413.521	5.033	30	20	HKED	
Cc1cc(Cl)ccc1Oc1ccc(CS(=O)(=O)Cc2ccccc2C#N)cc1	523918102	JDMRLTFJEZEZDL-UHFFFAOYSA-N	411.910	5.427	30	20	HKED	
Cc1ccc(-c2cnc(S[C@@H](C(N)=O)c3ccc(C#N)cc3)n2-c2ccccc2)cc1	524534990	LZGZTXZTPBNJRX-HSZRJFAPSA-N	424.529	5.038	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	525743356	JTPQBWSUVGADSJ-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1	535537724	IKWXSJJQLNEPRN-HZPDHXFCSA-N	421.526	5.056	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1F	535696334	QAWBEQICXQEEBN-UHFFFAOYSA-N	416.368	5.131	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(Oc4ccccc4)cn3)n2)cc1	536933596	FOYJXTXFAWIUSA-GOSISDBHSA-N	412.474	5.191	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1cccnc1	538728308	LCGPOKKYHVXKSD-UIOOFZCWSA-N	419.532	5.206	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2cccc3c2CN(c2nccs2)C3)CC1	539520262	CENPCRDPPKPFCE-UHFFFAOYSA-N	400.551	5.479	30	20	HKED	
CCCOc1ccc(CN(CCC)C(=O)c2ccc(C3(C#N)CC3)cc2)cc1OC	539592696	QBBJCSMCCDAFSE-UHFFFAOYSA-N	406.526	5.092	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	541201134	UJDPHENBDMZCHX-LJQANCHMSA-N	408.379	5.130	30	20	HKED	
N#CCCN(C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(Cl)c1	542933124	RUSQUBRKZFCMHT-UHFFFAOYSA-N	423.847	5.269	30	20	HKED	
C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-c2cccc(C#N)c2)cc1	542943357	KWBNGNWYQJWWQW-MRXNPFEDSA-N	414.896	5.040	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1	543070399	YXSHJFIHZGPRFI-SFHVURJKSA-N	408.461	5.136	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c(Cl)c1	549195163	YOEHZPOYJFPRAS-GOSISDBHSA-N	411.786	5.333	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CN4CCCC4)cc3)n2)cc1	554320114	SPFVATBBDYQSHT-NRFANRHFSA-N	401.535	5.204	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)Cc1ccc(Br)cc1	557425668	TVXDQQOCIITWLQ-KRWDZBQOSA-N	418.379	5.010	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	568653005	VFXCLPDMKGGZLT-QGZVFWFLSA-N	406.301	5.225	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Cl)c(C)cc1Br	568896854	SGTXEQUCUUSWBW-UHFFFAOYSA-N	406.751	6.515	30	20	HKED	
COc1ccc([C@@H](C)NCc2ccc(C#N)cc2C(F)(F)F)cc1Br	570370297	KYAYVEIQGVJJAU-LLVKDONJSA-N	413.237	5.199	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cs1	571092732	VEZDCFZLJXOPHI-HNNXBMFYSA-N	407.514	5.284	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCCc4c(F)cc(F)cc43)c2)c1	571314610	RESUWAQOFPLXCA-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(c2c[nH]c3ccccc23)CC1	576844596	GKUIASGEUJABTL-UHFFFAOYSA-N	412.541	5.090	30	20	HKED	
N#Cc1cccc(C2(NCc3cccc(NC(=O)c4ccccc4Cl)c3)CC2)c1	582196086	HYTIZYUMBQWOOH-UHFFFAOYSA-N	401.897	5.243	30	20	HKED	
COC(=O)c1c(CSc2ccc(C#N)cn2)nc2ccccc2c1-c1ccccc1	603496662	OPYGWQIAXSUHGF-UHFFFAOYSA-N	411.486	5.247	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)Cc3cccc(C#N)c3)c3c(C)noc3n2)c(C)s1	603522356	ZMGPQYTYUOPCTN-UHFFFAOYSA-N	416.506	5.020	30	20	HKED	
Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603623262	QFROKTQGVZWSCR-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cn2)cc1	603764937	PLPLOZGLEXOJAI-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cc3cccc(F)c3)cn2)cc1	603828959	GSOGXFHNUYHNRO-OAQYLSRUSA-N	416.456	5.124	30	20	HKED	
CC(C)c1c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cnn1-c1ccccn1	603996149	BWZNKRVHBHDVTL-UHFFFAOYSA-N	419.554	5.235	30	20	HKED	
COc1cc2ccccc2cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604003427	AQXLCPMWRUZNJP-UHFFFAOYSA-N	422.484	5.746	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnc(-c2ccccc2)o1	604047344	PIBQJJHDIJNONE-HNNXBMFYSA-N	416.868	6.227	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1	605030900	ZQIYBYFIKNAZJF-NRFANRHFSA-N	411.933	5.405	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3csc(-c4ccc(OC(C)C)cc4)n3)[nH]c12	605363574	KQWGRANJTBXSDN-QGZVFWFLSA-N	416.506	5.272	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	608965763	GADHYJIAWGDWJH-UHFFFAOYSA-N	414.530	6.058	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCOc4ccccc43)cc2Cl)cc1	609102134	DQIRZCVLVVJREQ-LJQANCHMSA-N	404.853	5.509	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)oc12	609435308	FNRVICCRDHLKLG-JKSUJKDBSA-N	423.538	6.108	30	20	HKED	
CCOc1ccccc1Oc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cn1	609448885	QJUYYCMCVBKCPH-UHFFFAOYSA-N	413.399	5.775	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)cc2)nc1	609497601	NEGKVUKPIVXEAA-JOCHJYFZSA-N	403.869	5.280	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1	609929745	LNNORMKXFPCZFI-JKSUJKDBSA-N	401.963	5.687	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	610017278	NGWUTZHSMZBXOV-IBGZPJMESA-N	413.477	5.381	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1C	610053798	WXJOQBDCLDUUDB-UHFFFAOYSA-N	406.489	5.131	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(C#N)c1	610321897	OODCXFUCVFOTFR-GOSISDBHSA-N	410.477	5.086	30	20	HKED	
CN(C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1cc(Cl)ccc1C#N	610794113	IYSNAPPBJDDYOI-UHFFFAOYSA-N	404.901	5.078	30	20	HKED	
Cn1cc(CNc2ccccc2SCC(F)(F)F)c(-c2ccc(C#N)cc2)n1	611519157	QSLZKZTUXDBDQH-UHFFFAOYSA-N	402.445	5.225	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@@H](C)c1ccc(C#N)cc1	611669254	QWMLKTTYZMHSHV-INIZCTEOSA-N	414.347	5.007	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccc(F)cc2s1)c1nc(O)c2c3c(sc2n1)CCCC3	613289928	YBVOTSUGRWDCDH-CYBMUJFWSA-N	423.494	5.120	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(Cl)ccc2o1)c1nc2cc(C(F)(F)F)ccc2s1	613404991	SBGGCZIPMGOXMU-LBPRGKRZSA-N	420.799	6.205	30	20	HKED	
O=C(c1[nH]c2ccc(F)cc2c1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618366219	ZIKSSGSKHFMPKR-HTQZYQBOSA-N	416.724	5.163	30	20	HKED	
C[C@@H](NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1cccc(C#N)c1	619591047	ASXWNVFHQOCIHE-OAHLLOKOSA-N	419.422	5.308	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1Cl	619780081	CLJJOMVSIWVCMW-SJORKVTESA-N	407.926	5.188	30	20	HKED	
Cc1ccc(CCN(Cc2ccco2)C(=O)NCc2ccc(C#N)c(Cl)c2)cc1	619827027	RBWBQRICNFCRMK-UHFFFAOYSA-N	407.901	5.068	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccncc1	648079554	HZBUHKCICSQFAJ-ZDUSSCGKSA-N	412.469	5.124	30	20	HKED	
N#C[C@H](C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1nc2cc(F)ccc2s1	671764200	OQOXGHVESZNAOQ-GOSISDBHSA-N	415.449	5.178	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	681496154	NCMOCLNRUDUIMM-LLVKDONJSA-N	410.280	5.293	30	20	HKED	
CC(=O)N(c1nc(/C=C2\CCc3sccc3C2=O)cs1)c1ccc(F)cc1F	726894210	WHYPQAMKGHSEJU-XYOKQWHBSA-N	416.474	5.380	30	20	HKED	
CCS[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(C)C	727626640	DXCJXKHXZHFCJV-DYVFJYSZSA-N	413.395	6.071	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C/C(=O)c1sc(-c2ccccc2F)nc1C	728442065	VEFBEYRQRBPRLT-MDZDMXLPSA-N	413.470	5.180	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2csc(-c3cccs3)n2)SC1=S	728610982	QQLUUZSXXUXQSP-NVNXTCNLSA-N	411.558	5.149	30	20	HKED	
CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN(C)[C@@H](C)CC#N)c1=S	728901995	HCMDNJCHJAVPQA-KRWDZBQOSA-N	410.591	5.334	30	20	HKED	
Cc1nc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)sc1-c1ccccc1	729494672	CQBOUVCZGUOIHW-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
C[C@@H](NC(=O)c1ccsc1NC(=O)c1ccccc1Cl)c1ccc(C#N)cc1	730209874	DKZQLTTUCNRICU-CYBMUJFWSA-N	409.898	5.016	30	20	HKED	
Cc1nc2c(s1)[C@@H](OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)CCC2	733069056	KUHBPQZZAMIANC-FQEVSTJZSA-N	420.538	5.080	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)Nc1ccc2c(c1)OCO2	735237772	HTTGHCSTPRCOCF-UHFFFAOYSA-N	403.463	5.197	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)/C=C/c2ccnc3ccccc23)cc1	735434579	XDISALWYGAHOJN-OUKQBFOZSA-N	421.475	5.488	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(Nc3ccccn3)n2)cc1	736070461	ZVAVDWPCPHVJLT-IBGZPJMESA-N	411.490	5.189	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)c2cccc(F)c2)cc1	741822121	ZOBLKIAUTSHWAU-UHFFFAOYSA-N	405.450	5.029	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2coc3ccccc23)cs1	747705414	NUQIIEQXFGGBCS-XFXZXTDPSA-N	402.475	5.778	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(C(C)=O)cc1	749102822	SPYUTWYDDFWHSR-UHFFFAOYSA-N	421.335	5.176	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(O)c([N+](=O)[O-])c1	749586084	APBZQDCXPQVYIB-NTMALXAHSA-N	422.824	5.102	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1	750394882	IUHYNUBGCJLHGY-NRFANRHFSA-N	420.852	5.102	30	20	HKED	
CN(C)Cc1ccc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)cc1	750586046	BJYGOKIWFZZTHP-UHFFFAOYSA-N	415.562	5.043	30	20	HKED	
CCOc1ccc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)c2cccc(Cl)c2)cc1	752104347	LHTUZHQDQDVEAZ-CJAUYULYSA-N	420.940	5.909	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1	756234949	ZTSKEJOCXPASOG-SFHVURJKSA-N	422.481	5.223	30	20	HKED	
Cc1ccc([C@H]2C[C@H](OC(=O)c3occc3COc3cccc(C#N)c3)CCO2)cc1	757513149	QUALVZDOKHJCMC-DHIUTWEWSA-N	417.461	5.116	30	20	HKED	
COC(=O)Nc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc(C(F)(F)F)c1	763345080	VIOWJFQXLAMLOG-UHFFFAOYSA-N	424.272	5.294	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2Br)cc1	763549621	SSOSMJCTCRTPCW-IBGZPJMESA-N	421.294	5.122	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	768137167	LIYDAMOCANBLKU-OAHLLOKOSA-N	419.699	5.136	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCC(F)(F)F)c2)cc1	769943827	BJVZSWQVSDHXJA-LIRRHRJNSA-N	418.415	5.102	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1	770379273	DIMDIKQHJRAMCR-TZIWHRDSSA-N	422.573	5.253	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1cccc2ccccc12	774042744	KDWNTHGODAYKMC-JTSKRJEESA-N	414.505	5.079	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(F)cc4F)CCC3)n2)cc1	777308967	IBSJQGUJXPPXAF-QGZVFWFLSA-N	424.472	5.395	30	20	HKED	
CC[C@@H]1C[C@H](C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)CCO1	779760432	WZLYKJBXBQZBCE-RHSMWYFYSA-N	415.946	5.126	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCSc3ccc(OC)cc32)ccc1OC	783251843	MHZCLSFGBYMBFT-XLIONFOSSA-N	412.555	5.102	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1NC(=O)OC(C)(C)C	792095278	KDZZKGUZUTWHKX-LJQANCHMSA-N	401.466	5.380	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1	799225764	OUESTQCVULUNCE-OAHLLOKOSA-N	401.869	5.124	30	20	HKED	
C/C(=C/c1ccccc1C(F)(F)F)CNc1ccc(N2CCC(O)CC2)c(C#N)c1	800243733	YBYBUMVCGGIUHC-VBKFSLOCSA-N	415.459	5.054	30	20	HKED	
CC(=NNc1ccc(Cl)nn1)c1sc(-c2ccccc2Br)nc1C	814698326	ZJYCHXLBOYAHGW-UHFFFAOYSA-N	422.739	5.161	30	20	HKED	
CC(=O)Nc1cccc(OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	904709142	SGNHCALFNKTYPI-UHFFFAOYSA-N	402.475	5.028	30	20	HKED	
CC(=NNc1oc(C)nc1C#N)c1ccc(-c2ccccc2Br)s1	917554477	QCJWSGLPZWOJOR-UHFFFAOYSA-N	401.289	5.182	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1	1785802027	QIURLLMUEMDPQB-YLJYHZDGSA-N	416.512	5.324	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1	1791247677	FXIGIPRIPVONSL-KRWDZBQOSA-N	402.494	5.393	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)CC4)CCC2)cc1	1791587280	KRIUUPABPUQJHZ-UHFFFAOYSA-N	418.537	5.114	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@]3(F)Cl)cc2)CCC1	1791675269	VPULBLWHRXUZBK-HTAPYJJXSA-N	406.929	5.037	30	20	HKED	
CC(=O)N(c1nc(/C=C2\CCc3ccccc3C2=O)cs1)c1ccc(F)cc1F	12868194	PNFGILIPRFKFGU-XNTDXEJSSA-N	410.445	5.318	30	20	HKED	
Brc1ccc(-c2nnc(CON=C3c4ccccc4-c4ccccc43)o2)o1	14354331	ZBKLEJUOBDXPMI-UHFFFAOYSA-N	422.238	5.042	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1ncnc2sc(C)c(C)c12	18774114	KRRBLGXEVWIGIE-UHFFFAOYSA-N	424.016	5.330	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccoc1C	21140637	MJRTZSQVQDJZNG-MRXNPFEDSA-N	418.522	5.305	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1	24706623	LMANQCWGLLYAIW-NRFANRHFSA-N	411.534	5.173	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1	41497945	QBLOVAYFWCRADI-HNNXBMFYSA-N	407.495	5.281	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(C#N)cc1	47052427	QXLKINIKACGBCP-GOSISDBHSA-N	410.477	5.086	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CCCc3occc32)cc1OCC	236911350	MNYLCGDACXCYCH-KRWDZBQOSA-N	406.320	5.173	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3C)n2Cc2ccco2)cc1	302108984	PBUYKXZHEBFWLZ-OAQYLSRUSA-N	414.534	5.430	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc(Cl)s2)n1	303273815	IDDAZONOJXMYRS-LLVKDONJSA-N	419.984	6.029	30	20	HKED	
C[C@H]1CCCN(Cc2ccccc2CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	410350073	HSDOORCPWFAJMC-IBGZPJMESA-N	404.558	5.041	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2noc(-c3ccsc3)n2)cc1	428818888	FSEXOTDEVRPRLE-UHFFFAOYSA-N	404.470	5.011	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1	434333276	JLKAZQGSSVVMBI-HSZRJFAPSA-N	412.965	5.047	30	20	HKED	
C[C@H](Nc1ccc([C@@H](C)Sc2ccccc2)cc1)C(=O)Nc1ccccc1C#N	437153318	VXKDGPCPFDPKLL-ZWKOTPCHSA-N	401.535	5.851	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	437391751	YALKWMDHOFABTQ-GFCCVEGCSA-N	407.804	5.367	30	20	HKED	
CCc1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cs1	438670612	LHFYXQYCXFWAKM-ZDUSSCGKSA-N	410.474	5.391	30	20	HKED	
C[C@@H](Nc1cccc(OCc2cccc(F)c2)c1)C(=O)N(CCC#N)c1ccccc1	439567142	VZKXBYMYXBTYFH-LJQANCHMSA-N	417.484	5.152	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cnn1-c1cccc(C#N)c1	439670916	GNXYUQGAZROAHJ-INIZCTEOSA-N	405.477	5.060	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1	447770214	RWRLXDKNNTWYEU-FCHUYYIVSA-N	402.494	5.276	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F	460469395	JNOUZEPVXCLYOX-JKSUJKDBSA-N	419.340	5.539	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C	460780383	RBNLIEHNRULYIU-GUYCJALGSA-N	407.345	5.136	30	20	HKED	
N#Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C(F)(F)F	462183394	SHYDMDDLNDKAPY-UHFFFAOYSA-N	421.728	5.300	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2ccc(O)c(F)c2)cc1	468656387	VNYUOXYJBUYGJK-UHFFFAOYSA-N	418.468	5.138	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3cc(Br)cc(C(F)(F)F)c3)o2)cc1	471637316	VYMBGFLFSPFSEX-UHFFFAOYSA-N	423.192	5.002	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1	475651685	QFMSGPIFKZIUQG-HNAYVOBHSA-N	407.514	5.522	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1	477705133	SDWOLFLRSWHSKH-UHFFFAOYSA-N	415.440	5.882	30	20	HKED	
COc1cccc([C@@H](NCc2ccc(Cl)cc2C#N)c2cc(F)ccc2OC)c1	478387430	JWJYRZLLFBYXDX-HSZRJFAPSA-N	410.876	5.247	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(F)c(F)c1	478919749	BRVZYOITSQXQLS-JOCHJYFZSA-N	405.404	5.071	30	20	HKED	
COc1ccc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl	479218434	GFXCJCFXGJVRIK-CQSZACIVSA-N	420.987	5.615	30	20	HKED	
COc1ccc(-c2csc(NC(=O)CSc3ccc(C#N)cc3)n2)cc1Cl	481917855	HUGQYISJBATDFH-UHFFFAOYSA-N	415.927	5.075	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1	486250389	LEGDZUQKSMSYQP-UHFFFAOYSA-N	423.925	5.518	30	20	HKED	
Cc1ccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1	487447415	RTPUELPOSRQJHR-UHFFFAOYSA-N	415.440	5.114	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c1	487541074	LERJEBQDRQCJNA-HSZRJFAPSA-N	403.482	5.035	30	20	HKED	
N#CCCC[C@H](NC(=O)CCc1cc(Cl)ccc1Br)c1ccccc1	487577811	VMQOEWMQVLDHTJ-IBGZPJMESA-N	419.750	5.586	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1	488312435	UXPJFJUDXHQDPQ-GHMZBOCLSA-N	414.478	5.296	30	20	HKED	
Cc1ccc(OCc2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)cc1	488739946	XJZONIZGGAACFO-UHFFFAOYSA-N	421.469	5.608	30	20	HKED	
O=[S@@](Cc1cc(F)c(C(F)(F)F)cc1F)Cc1ccccc1OC(F)F	488800230	BYHLYZSZORRFFI-AREMUKBSSA-N	400.315	5.034	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1	497351854	CDOLZQYOXLUJMK-UHFFFAOYSA-N	403.891	5.021	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	500626469	YYODURZTZLXATO-UHFFFAOYSA-N	402.294	5.247	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	500760693	XXMADVGWKJLUBE-UHFFFAOYSA-N	404.491	5.631	30	20	HKED	
Cc1ccc(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	501448100	KMHQLQFVXOTLKL-UHFFFAOYSA-N	402.519	5.371	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(CCc3cccc(F)c3)C3CC3)cc2)cc1	505195256	DUJIZBXCDHMEOV-UHFFFAOYSA-N	414.480	5.531	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	505207721	URNPSVQLHBPCPA-UHFFFAOYSA-N	417.321	5.068	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1	506255179	RLPNYFQKSLWKJQ-SFHVURJKSA-N	416.525	5.016	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)c1ccccc1	507470972	OHCHEYLWDYLKSP-UYAOXDASSA-N	407.539	5.087	30	20	HKED	
Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2)cs1	507909509	RGYSZPRMPNBBHC-UHFFFAOYSA-N	400.463	5.363	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)[C@H](C)c1ccc(C#N)cc1	509572675	COEJPJUEVAPTLL-GOSISDBHSA-N	423.520	5.039	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCOc1ccccc1-c1ccccc1	509578714	JBULDKBLJYCTNX-UHFFFAOYSA-N	400.478	5.420	30	20	HKED	
CCCN(C(=O)c1cc(C#N)ccc1Cl)[C@H](c1ccc(F)cc1)c1cccnc1	510718410	ZNLKGHZPMJYRNX-JOCHJYFZSA-N	407.876	5.388	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccccc1Cl	510907531	XNMUKJZOQLTJBD-UHFFFAOYSA-N	405.885	5.976	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C	516132825	YFMKPWXORPLMKM-UHFFFAOYSA-N	421.372	5.090	30	20	HKED	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1SCCC#N	517439964	ALFUXVWJMMVRGW-GOSISDBHSA-N	402.519	5.765	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(F)cc1	518147737	IRHPLUDHPLWUJX-OAHLLOKOSA-N	408.502	5.078	30	20	HKED	
N#Cc1c(NC(=O)CCc2nc3cc(Cl)ccc3s2)sc2c1CCCC2	518602924	SFCLPLFNLNJRBK-UHFFFAOYSA-N	401.944	5.333	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1	518662035	SPMXECUJAIIBBX-SFHVURJKSA-N	417.534	5.781	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1nc2cc(Cl)ccc2s1	520154393	WQTXBFZNSGOUPL-UHFFFAOYSA-N	412.946	5.189	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3cccc(F)c3F)CC2)c1	521140629	ZFHZWZLZEILACM-UHFFFAOYSA-N	422.431	5.028	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCSc2ccc(F)cc21	521748531	VUGPWHFUWFFXJD-BBRMVZONSA-N	401.532	5.436	30	20	HKED	
N#Cc1cccc(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	521819443	HYEIMAFIFWZYBB-UHFFFAOYSA-N	410.304	5.407	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)CC1CCOCC1	523594555	UMNKWFYEKMGBNO-IBGZPJMESA-N	423.582	5.399	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1ccc(C#N)cc1	523678112	GENHYGMRXBYTLH-SFHVURJKSA-N	411.505	5.111	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1	525558956	QNWBUYMIPVYZBA-GMAHTHKFSA-N	420.434	5.308	30	20	HKED	
COc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1-c1ccccn1	534358854	OCVGUSUOVDJWJH-GOSISDBHSA-N	412.276	5.059	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@@H](C#N)CCc1ccccc1	537241007	KTZLLYDVCCBMOO-HNAYVOBHSA-N	407.514	5.207	30	20	HKED	
N#CCCSc1ccccc1N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	537550839	OQJSDGCOVGNQGB-QGZVFWFLSA-N	406.338	5.217	30	20	HKED	
Cc1cc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)nn1CCC#N	540816208	HVKVXTWDWYTULT-UHFFFAOYSA-N	419.451	5.105	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(-c2ncco2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542031937	CLVFAWYOYXMTQC-KRWDZBQOSA-N	408.461	5.763	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	544273653	USMQVKPYYGBCIM-LJQANCHMSA-N	402.542	5.442	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3ccccc3OCc3cccnc3)s2)cc1	544666107	RCMZIXMZUPHRGV-UHFFFAOYSA-N	412.518	5.192	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)Cc1csc([C@@H](C)OCC)n1	549279758	MGTXSYAMFZQFHK-QGZVFWFLSA-N	411.575	5.020	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](c4ccccc4)CC3)cc2)ccn1	555007481	KTVMIDQTHLYNMI-FQEVSTJZSA-N	412.493	5.547	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)cc1	556321174	VPSYZINSNVWRRD-IZZNHLLZSA-N	424.500	5.593	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c1	558326678	VMLOKAKRATXHMY-INIZCTEOSA-N	424.329	5.066	30	20	HKED	
CC[C@@](C)(C#N)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	561722927	HSCDIECDPGKCNA-FQEVSTJZSA-N	403.404	5.145	30	20	HKED	
N#CCCC[C@@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccccc1	569679618	OQZDUEPOOKWOLG-XMMPIXPASA-N	417.940	6.117	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCC1C[C@@H](C)O[C@H](C)C1	574502423	XOSYSISZDAUOJL-RTBURBONSA-N	421.541	5.161	30	20	HKED	
C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1	583643540	NMPBSIAJBGRFIC-UHFFFAOYSA-N	415.541	5.098	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)cc1	589293527	AFPVLJYQSFGDGS-UHFFFAOYSA-N	412.489	5.106	30	20	HKED	
CC(C)n1ncnc1CNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	589561915	HNXOMYRBOMFOCS-UHFFFAOYSA-N	401.392	5.154	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1ccccc1	592974176	PEQLDUDJDIVCJM-INIZCTEOSA-N	404.470	5.235	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4CCCC4)nc3)cc2Cl)cc1	608903396	DRVJCEIGGHSMDU-UHFFFAOYSA-N	418.884	5.251	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc1	609100431	SHOOMRIPOQSHII-OAQYLSRUSA-N	418.884	5.006	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609176292	DEYZMEXHPSACAX-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3cccc(CN4CCCCC4)c3)no2)cc1	609475243	UJBQODRASFIWLX-UHFFFAOYSA-N	404.539	5.028	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ncc(-c2ccccc2)o1	610068317	DLOSCGZLEOHRKI-SFHVURJKSA-N	423.472	5.691	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1	610168274	RYRLODAPSMPREM-UHFFFAOYSA-N	424.913	5.182	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1cccc(Br)c1	610760739	UMABTAVSGKZBRM-NHCUHLMSSA-N	411.343	5.070	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCc3cc(C#N)ccc32)cs1	618783006	MZJHHCUIXCRZSQ-FQEVSTJZSA-N	405.548	5.033	30	20	HKED	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1	619519581	FJFXPYCZFSLUEY-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
O=C(CCCc1cccc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	681136746	BRZMTIHHWKRMIT-STQMWFEESA-N	421.303	5.227	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(Cc2ccccc2F)CC1	682371841	DQZPSZHECQJAHC-WDNDVIMCSA-N	411.361	5.174	30	20	HKED	
CCCCn1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1CC	683220605	BUBAWWQFVFUWSP-CYBMUJFWSA-N	420.460	5.364	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1c(C)cccc1C	727979252	VXPCXOFPLBTSML-UHFFFAOYSA-N	401.535	5.871	30	20	HKED	
Cc1ccc(-c2nc(COC(=O)c3ccc(COc4ccc(C#N)cc4)o3)co2)cc1	728110566	PBAOAUOAUIEALC-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2F)c1	728175086	HZCCNZKQPQQMDQ-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1	728698671	PDXYQBTVQJGJHO-IQGJIOQQSA-N	420.921	5.967	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc2c(c1)OC(F)(F)O2	731319983	JEOIALKBANXIGQ-NSHDSACASA-N	407.467	5.211	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	731969497	LJRNPKMEQKSMAI-UHFFFAOYSA-N	405.457	5.973	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3nc(-c4ccccc4)cs3)cc2)nc1	732497827	SSDUCUBCGMMJLX-UHFFFAOYSA-N	413.458	5.226	30	20	HKED	
CCN(C(=O)/C=C/c1ccccc1C#N)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	732962563	IIKGUUZMPQLNBD-QLWPUQSHSA-N	409.533	5.728	30	20	HKED	
C#CCCOc1ccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1	733326869	HQLHGLQZPFSDRL-VWLOTQADSA-N	413.496	5.109	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)c1	733801214	MVNUUCXBHIDWPP-FXAWDEMLSA-N	411.571	5.428	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(N4CCCC4)c(F)c3)c2)c1	734319925	GNSNPSYZEHHSKW-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
Cc1cc(C=Nn2cnc3ccccc3c2=O)cc(C)c1OCc1ccccc1Cl	734745433	MTELCIDQORYDCS-UHFFFAOYSA-N	417.896	5.128	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3ccc(OCc4ccccc4)cc3)[nH]c12	735792061	GWVVJBMXIHUNTM-DNVJHFABSA-N	421.500	5.430	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1	740435235	MLBVDWYFFYUSOM-ZEQRLZLVSA-N	413.477	5.154	30	20	HKED	
C#CC[C@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)c1ccccn1	741115256	WYLWWLHTHMKYNX-SFHVURJKSA-N	400.862	5.003	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1cc(Cl)cc(Cl)c1	745707968	YFVZKWCTTGVDHP-UHFFFAOYSA-N	412.345	6.269	30	20	HKED	
Cc1cc(C)n(N=Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)c(=O)c1C#N	745985616	OZUZZNMIULUEGX-UHFFFAOYSA-N	411.383	5.030	30	20	HKED	
CC[C@@H]1CN(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)CC[C@H]1c1ccccc1	746417931	MQUAWFIWNJIAFU-KIFXHHALSA-N	405.542	5.093	30	20	HKED	
C=CC[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc(CCC)cc2)cc1)c1ccncc1	749726681	RUHBHIHPIXOTCY-DEOSSOPVSA-N	413.521	5.073	30	20	HKED	
CCOc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	751013548	ICKVSNXKHRHUEW-UHFFFAOYSA-N	419.506	5.567	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1	752375185	XKVMKZADNHDESG-UHFFFAOYSA-N	420.494	5.281	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1	753300244	SUIUUKSYSOQOJN-IGKIAQTJSA-N	423.516	5.048	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1cn(-c2ccccc2)nc1-c1ccncc1	754710051	QDCKPXJNHKGZIP-UHFFFAOYSA-N	408.383	5.366	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2	755190481	YDKYRKJLFRSXNI-INIZCTEOSA-N	405.548	5.284	30	20	HKED	
CC(C)(c1ccc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1)C(F)(F)F	764858225	QBHLNAMRFTYEDA-UHFFFAOYSA-N	411.767	5.212	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2CCc2ccccc2)c1=S	764900930	XAOQFFCMEDURSR-JOCHJYFZSA-N	419.598	5.107	30	20	HKED	
C[C@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F	766290651	CJLKVGCXOQOYBB-VIFPVBQESA-N	424.316	5.067	30	20	HKED	
Cc1cc2c(cc1C)[C@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CO2	770846390	IJYNQMVDIRJZER-QZTJIDSGSA-N	408.910	5.433	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1	776182979	RBURFUYTVROHJM-BWAGFHJFSA-N	418.459	5.019	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1O[C@@H](C)C#N	780168691	CPBXUMJPJRVJAG-NSHDSACASA-N	416.264	5.500	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2ccccc2F)cc1	780534198	PGSGATPEWLQSNX-INIZCTEOSA-N	405.429	5.340	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1	780674919	JIKBYWXWSWULKN-QGZVFWFLSA-N	421.497	5.073	30	20	HKED	
C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	796639189	IWNVPWSEGLEOPJ-UHFFFAOYSA-N	409.942	5.117	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	798489233	ZLYZTVLHRDLYRB-ZBEGNZNMSA-N	416.321	5.089	30	20	HKED	
Cc1oc(C(C)C)cc1C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	802800328	QBDVYMYANVHLIQ-ZBEGNZNMSA-N	407.297	5.218	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OC[C@H]1CC[C@@H](C#N)CC1	809089319	YIMXIRPVNZRQPZ-KDURUIRLSA-N	418.493	5.510	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCn3c(cc4ccccc43)C2)cc1	812920696	ZNNZHQIPSHQTCM-XMMPIXPASA-N	406.489	5.344	30	20	HKED	
CC(=NOCc1ncc(-c2ccc(F)cc2)o1)c1nc2ccccc2n1C(F)F	836979379	XRANANYDYQSVJK-UHFFFAOYSA-N	400.360	5.166	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1Cc2ccccc2S1)c1nc2cc(C(F)(F)F)ccc2s1	915103682	BOCMXNGLUOKUCJ-LRDDRELGSA-N	404.438	5.208	30	20	HKED	
O=C(Nc1cccc(C=NNc2ncnc3sccc23)c1)c1ccccc1Cl	916368492	QYDXRGZUCBDLGM-UHFFFAOYSA-N	407.886	5.043	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916904754	IMFMJGCISXHTDQ-NRFANRHFSA-N	412.489	5.738	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1	917045295	XQGQVECRQJDVTN-AWEZNQCLSA-N	407.347	5.962	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc(C)c1OC(F)F	917517432	FUTBDJCBAKZYNZ-RUDMXATFSA-N	412.436	5.113	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(CC(C)C)cc2)cs1	917564057	VRYJSRQRXHSEKS-JLHYYAGUSA-N	422.525	6.061	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Cl)cc2)CC1)c1nc(-c2c(F)cccc2F)cs1	920805939	HLUIVZVXEXNMAZ-CQSZACIVSA-N	414.864	5.650	30	20	HKED	
Fc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1Cl	921254953	GXUFOMSUIJAMNV-UHFFFAOYSA-N	401.681	5.215	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1	1786679251	UHMVWSCURBVNMP-UHFFFAOYSA-N	420.534	5.100	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C)cc3C)cc2)CCC1	1790252261	IDYNOQUHMBTHGK-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1828829673	KXVFZVLPSDAGKQ-PLXFJCCSSA-N	412.618	5.121	30	20	HKED	
N#CCCn1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)c(-c2ccccc2)n1	7746259	MXUOQBOZACAMDP-JXMROGBWSA-N	401.451	5.152	30	20	HKED	
CCCOc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1OCC	14497164	AHTKUPHYKYVEIL-UHFFFAOYSA-N	407.495	5.122	30	20	HKED	
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12	15216036	LRYZMDSDXSWBMU-ZWKOTPCHSA-N	404.462	5.593	30	20	HKED	biogenic
N#CC1(c2ccccc2)C/C(=C\c2cccc(O)c2)C(=O)/C(=C/c2cccc(O)c2)C1	20916633	PLPPWRDABORKAO-ADYPVIEZSA-N	407.469	5.389	30	20	HKED	
C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc(C#N)cc1	26121016	GVWWHSLOYRUICV-KRWDZBQOSA-N	412.518	5.023	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(C#N)cc1	47052426	QXLKINIKACGBCP-SFHVURJKSA-N	410.477	5.086	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47580620	WLRQQHGVGIEQDS-GOSISDBHSA-N	417.484	5.696	30	20	HKED	
N#CC1(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCC1	56325960	SPZPYZZSXCYFDY-UHFFFAOYSA-N	416.403	5.372	30	20	HKED	
COCCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1F	72024081	GXEPTKKRNOMGMG-UHFFFAOYSA-N	422.481	5.126	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1cccc(C)c1C	107806996	MJSHMWPZUGJOSX-UHFFFAOYSA-N	401.466	5.078	30	20	HKED	
C=CCn1c(-c2sc(NC(=O)[C@H](CCC)c3ccccc3)nc2C)n[nH]c1=S	111199484	MGDKIWHCXZXVFR-OAHLLOKOSA-N	413.572	5.081	30	20	HKED	
CCOc1ccc(-n2c(SCCCCC#N)nnc2-c2ccc(OC)cc2)cc1	195562755	RUNHTMWEPFFTFW-UHFFFAOYSA-N	408.527	5.128	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2ccc(O[C@H](C)C#N)cc2)cc1	237249720	QSYOACOJAWQNHF-IQGLISFBSA-N	404.485	5.199	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(OCc4ccccn4)c3)c2)cc1	303126811	ALRVZKZUZDERIU-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
COc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	303198649	NUSFJYQYYHUADU-UHFFFAOYSA-N	421.884	5.121	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCSc1ccc(F)cc1	303229389	XIFKLHQWRAMVBI-UHFFFAOYSA-N	420.509	5.706	30	20	HKED	
C[C@H](Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(OCC#N)cc1	327621018	NAFXZUVVFBXTDZ-NSHDSACASA-N	415.209	5.423	30	20	HKED	
Cc1c(-c2nc([C@@H](NC(=O)c3ccccc3)C3CC3)no2)sc2ccc(C#N)cc12	426604478	UOJOAMZZRQPZMO-IBGZPJMESA-N	414.490	5.013	30	20	HKED	
CC(C)Oc1ccc(-c2csc(NC(=O)c3cccc(SCC#N)c3)n2)cc1	429858675	JRGFAYWNAGDLJX-UHFFFAOYSA-N	409.536	5.465	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccc(OC(F)(F)F)c1	431284690	WDLATBXPUUWSLS-DNVCBOLYSA-N	405.420	5.381	30	20	HKED	
CCCN(CCCC(C)(C)C#N)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	433614847	HBXCXHNVQIXQKA-UHFFFAOYSA-N	410.889	5.089	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@](C)(CCc2ccccc2)C1	435135355	OSLXKEXGLLINSF-NTKDMRAZSA-N	407.583	5.958	30	20	HKED	
COc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-]	435566644	OJTMFCYCOHJOQC-GOSISDBHSA-N	421.840	5.165	30	20	HKED	
C=CCc1cc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc(OC)c1O	436937205	DUBXKWOYDSGAOK-LGMDPLHJSA-N	409.507	5.535	30	20	HKED	
CCSCC[C@@H](C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	437894239	HLFYHQKPKMYAIX-GOSISDBHSA-N	411.571	5.327	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1	438090555	BXYWHONOOMIJLR-UYAOXDASSA-N	402.523	5.477	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(Br)c1	438587083	VVFOTYGFLVWNII-UHFFFAOYSA-N	404.283	5.150	30	20	HKED	
C=C[C@@](C)(CC)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	442899811	LPUBZETUDVXHNG-CPJSRVTESA-N	406.526	5.036	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C	460371482	BRBSCEVIERADSY-HKUYNNGSSA-N	423.586	5.335	30	20	HKED	
C=C(C)Cn1c(-c2cccnc2)nnc1N(Cc1ccco1)Cc1ccc(C)s1	460940062	OUDYAWFYCPBLRO-UHFFFAOYSA-N	405.527	5.086	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Sc2ccccc2Cl)nn1	462122722	LKZSHCDNNAKQLV-UHFFFAOYSA-N	422.941	5.205	30	20	HKED	
C[C@@H](C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	462600335	VINBSIFVTFQPRT-BZNIZROVSA-N	400.322	5.100	30	20	HKED	
COc1ccc(C#N)cc1CNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	464095899	PJFATWJBDKWPHN-UHFFFAOYSA-N	409.848	5.224	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2cc(Br)ccc2CO)c1	466396849	SRORAZMJXMNGMB-UHFFFAOYSA-N	423.310	5.004	30	20	HKED	
C[C@H](CC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	467392128	UWTGSTXRGBKJAK-GFCCVEGCSA-N	411.811	5.253	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1	470582534	JXURECONQPJPNV-LBPRGKRZSA-N	417.412	5.317	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@]3(CCCOC3)C2)c1	473553408	PPWWDOVPSMPTCY-QHCPKHFHSA-N	410.901	5.037	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccccc1	474969706	KSPZMLNJQPOJCZ-HXUWFJFHSA-N	414.461	5.020	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cn(C)c2ccccc12	475618254	APNSIKCTSQSTCK-QGZVFWFLSA-N	422.488	5.044	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C[C@H](CC#N)c1ccccc1	475747024	BLUDTQCDDJJHAJ-KXBFYZLASA-N	423.969	6.037	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	480546208	AOOWBTNRPWQKEN-UWVAXJGDSA-N	411.571	6.099	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	480584730	XTGXGAIWOJVKDL-AVYPCKFXSA-N	417.962	5.632	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)c(Br)cc1C	481359025	KNAOAHRCQFSIQH-UHFFFAOYSA-N	423.330	5.284	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(CCCC)no2)nnc1-c1cccc(Cl)c1	481386200	HNBORQDXCSZQRC-CYBMUJFWSA-N	403.939	5.363	30	20	HKED	
CC(C)[C@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	482129884	FYAAWLROHZAZOK-IBGZPJMESA-N	422.579	5.470	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2o1	483239223	SAGWMTMURAXOOJ-KRWDZBQOSA-N	405.251	5.542	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1	483361516	UZDBSZIHTWWRCO-ZDUSSCGKSA-N	420.365	5.835	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C	484478075	ZGCKWQVZZADZRG-UHFFFAOYSA-N	405.951	5.228	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1	485381387	IESVZVNAPFRXHW-UHFFFAOYSA-N	419.569	5.492	30	20	HKED	
CCCc1nc(C)c(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1	489999755	SFKITVNAOXVRHI-INIZCTEOSA-N	402.498	5.035	30	20	HKED	
CC1=NN(c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)CC1	490648629	MSABIGQYILHSRN-UHFFFAOYSA-N	424.504	5.170	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1cc(C#N)ccn1	499247622	FQDQHQVBALQFPL-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
Cc1cc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c2[nH]c(C)c(C)c2c1	499453381	MTIVMGVEEPMNJS-UHFFFAOYSA-N	413.477	5.067	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(OC2CCCC2)c1	499793133	HNOAEIAKURXNDI-UHFFFAOYSA-N	405.951	5.016	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cn(CCCC#N)c2ccccc12	505603263	COBAMYSWDPFCSW-QHCPKHFHSA-N	401.510	5.103	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cccc(OC(C)C)c2)cc1	505618214	HSXWWXIERTYESZ-UHFFFAOYSA-N	416.477	5.328	30	20	HKED	
Cc1nc(CCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)oc1-c1ccccc1	505825000	HMCLZVWWFXDHLR-OAQYLSRUSA-N	401.510	5.261	30	20	HKED	
Fc1cc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2ncccc2c1	505838502	IGOVTQBIWMNMPI-QGZVFWFLSA-N	402.313	5.786	30	20	HKED	
COCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	506361990	GTXGEPIBQAXGFS-CTNGQTDRSA-N	423.900	5.488	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(F)c(C#N)c3)s2)cc1	506778032	MWOMKHRDDVFWSW-CYBMUJFWSA-N	410.474	5.021	30	20	HKED	
Cc1[nH]nc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1C#N	508761263	FZZDXEMASBCKGK-UHFFFAOYSA-N	402.479	5.022	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1Cl	510046732	XIORLEUOYFZELN-JOCHJYFZSA-N	419.912	5.022	30	20	HKED	
Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510187952	VAGNSWQZTRDNNW-SFHVURJKSA-N	401.535	5.068	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3cccc4ccccc34)C(F)(F)F)o2)cc1	510456145	OSKBEJAWGDILKH-HXUWFJFHSA-N	408.383	5.155	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)c1ccco1	510524642	YFWOVFNLVUIFCZ-VWLOTQADSA-N	423.472	6.163	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)c1	512366281	ISJFDVDBVNBYSD-HSZRJFAPSA-N	424.859	5.095	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc3cccnc3s2)cc1Cl	513198045	YNYASUGGUVEEKB-INIZCTEOSA-N	404.882	5.252	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ncc(-c2ccccc2)[nH]1	517661338	VGFHRERQJURYAD-OAQYLSRUSA-N	423.476	5.017	30	20	HKED	
C[C@H](Nc1ccccc1NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1	520459176	TUZCSMHFAAJPJQ-SFHVURJKSA-N	401.535	5.603	30	20	HKED	
COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)C2	520666549	DPRZAZIPEQGGLK-MRXNPFEDSA-N	407.539	5.026	30	20	HKED	
N#C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(Cl)c1Cl	520889530	LCQWVZIHBIDWPL-AWEZNQCLSA-N	424.740	5.570	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1OC	521335018	KHUMSQXPBALWOF-XJKSGUPXSA-N	406.320	5.029	30	20	HKED	
C[C@@H](OCCCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1	522320528	YYKVIODWODESGE-HXUWFJFHSA-N	414.505	5.035	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)CC)cc1	522654999	ROBUNSCTKUTHEM-HXUWFJFHSA-N	405.542	5.333	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)cc1	523152910	GFHAIZKCUNCQEV-INIZCTEOSA-N	404.432	5.230	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1	530500180	KAZZGXIOUUQHMU-GOSISDBHSA-N	400.563	5.514	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1c(C)cccc1-c1nc2ccc(F)cc2n1C(C)C)OCC	534474531	MRASVFGCKQMGAT-QFIPXVFZSA-N	423.532	6.042	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc2ccccc2n1	534914289	IOTNXMAKXXONFE-UHFFFAOYSA-N	413.864	5.829	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H](CCCO)c2ccccc2)cc1Cl	535613498	QGHAHRLCYPHLAG-NRFANRHFSA-N	420.896	5.248	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	537152498	YNOLIVGGXQOTAL-MRXNPFEDSA-N	423.416	5.109	30	20	HKED	
COc1sc(CNCc2ccc(-c3ccccc3C#N)cc2)cc1Br	537508554	TUGIJTNKYYIVNU-UHFFFAOYSA-N	413.340	5.348	30	20	HKED	
Fc1ccc([C@@H](CC(F)(F)F)NCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1	540380694	OLJXRYRCFFTSGH-CQSZACIVSA-N	419.300	5.076	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1CCc1ccccc1	541735918	JULNNEZQYPOQMT-PZJWPPBQSA-N	407.583	6.100	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2nc(-c3ccco3)cs2)cc1C(F)(F)F	543860080	GHIVZSPPKJDMTK-UHFFFAOYSA-N	409.414	5.024	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	545506695	WCDFHBZEWKNGLK-KRWDZBQOSA-N	405.420	5.184	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	548612285	PNYRJVAUKOMBIR-QFIPXVFZSA-N	407.876	5.306	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1	553002222	KYSGOTOWUHGYFG-ISKFKSNPSA-N	415.468	5.148	30	20	HKED	
CC(F)(F)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	555958554	JGOFRBKPWNLENL-UHFFFAOYSA-N	414.399	6.075	30	20	HKED	
CC[C@@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1	556608181	GBLNOLHDGBLNFN-YADHBBJMSA-N	402.460	5.786	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)cc1	570328252	ORPSVJKTCDJLAG-HSZRJFAPSA-N	403.526	5.260	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1nc2cc(F)ccc2s1	592973901	LBTYSPAZHYNBGO-SFHVURJKSA-N	420.440	5.644	30	20	HKED	
CCn1nc(C(C)C)cc1C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	603569286	GEOGTGNGHKCNJN-UHFFFAOYSA-N	404.489	5.193	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn2)c1	603624172	ULZDZPMTFXCRBJ-UHFFFAOYSA-N	416.418	5.121	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690024	JBRYWYQCGOBOQK-CQSZACIVSA-N	408.408	5.249	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)cn2)cc1	603690093	ICDHWWOAMLGXRM-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1	604021768	QRBQONCUJBOASH-FQEVSTJZSA-N	420.925	5.467	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3ccccc3C2)cc1Cl	604084949	MRTLJEAYVRUSDG-NRFANRHFSA-N	417.896	5.422	30	20	HKED	
CC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1F	607252353	WEWMXNPFSNGFJT-RBZYPMLTSA-N	418.328	5.188	30	20	HKED	
C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1	608802457	JZGPTCZRBLPAEH-CQSZACIVSA-N	414.383	5.240	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cs1	608918847	ZLCRYLJAFONARS-QGZVFWFLSA-N	418.566	5.671	30	20	HKED	
CSCc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	608971026	PIOPLJYYDDVWRH-UHFFFAOYSA-N	404.560	5.966	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc12	609287141	DEYRVEMFAJSDOK-GOSISDBHSA-N	424.888	5.183	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2ccccc2SCCC#N)cc1OCC	609375681	MADXIZDWYWYMDB-UHFFFAOYSA-N	418.946	5.786	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1occc1CSc1ccccc1	609377509	WNFPFZZRDSOHGZ-INIZCTEOSA-N	408.548	6.076	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	609378254	YQDRGGRXJJEDKL-INIZCTEOSA-N	422.506	5.371	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1Br	609399321	NECSDSLRRKCUEL-ZDUSSCGKSA-N	404.333	5.023	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)n1	609428584	QESDZIQFKXPPSE-GOSISDBHSA-N	404.539	5.195	30	20	HKED	
CCCCN(CCOC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	609469430	UWBRCZBKKJMNOD-UHFFFAOYSA-N	401.894	5.284	30	20	HKED	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	609509091	OIQBBFRZASOURG-MNNVXMFVSA-N	414.958	5.199	30	20	HKED	
COc1cc2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[nH]c2cc1OC	609820793	GPZXXQLBQZOMQC-UHFFFAOYSA-N	413.433	5.101	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)cs1	610290709	ZCOOWRXYMHKQAO-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
COc1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)ccc1OCc1ccncc1	611391103	SXFYYGUPQZMHJR-HOYKHHGWSA-N	413.521	5.269	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1cccc(C)c1	617936734	XECXLBLKQUBMEH-MRXNPFEDSA-N	424.595	5.281	30	20	HKED	
CCN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@H](C)c1cccc(C(F)(F)F)c1	618847990	SFKJWLTYHFWOLX-JLTOFOAXSA-N	401.432	5.357	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ncccc3OCCCC#N)c3ccccc3n2)o1	726958085	QEPVQBCWWJOIKM-UHFFFAOYSA-N	412.449	5.133	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3SC(F)F)o2)cc1	727984049	KUFMWJSUUMZIMX-UHFFFAOYSA-N	400.406	5.297	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2csc(-c3cccnc3)n2)c1	728181579	PUQBMUXMKOONJQ-UHFFFAOYSA-N	415.543	5.024	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	728272719	FMSGCJYTRDLZQH-UHFFFAOYSA-N	406.489	5.589	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@H](C)c2csc3ccccc23)cc(OC)c1OC	730030559	PRYBXUNZILJOJZ-OAHLLOKOSA-N	410.539	5.207	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1ccc2ccccc2n1	730071128	GXUAVYQUJIJFHE-UQBPGWFLSA-N	412.489	6.084	30	20	HKED	
O=C(O)CCCOc1ccc(C(=O)/C=C/c2ccc(OC(F)F)c(Cl)c2)cc1	731489724	KVRCTXITALLZAG-YCRREMRBSA-N	410.800	5.081	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccccc2F)n1C1CC1	735231094	PJALKSBXNQWXBX-UHFFFAOYSA-N	414.893	5.267	30	20	HKED	
N#CCCn1ccc(NC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)n1	735453549	FSXLXRVORRUNPX-UHFFFAOYSA-N	417.472	5.417	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	737529862	ONUDZSDPBKZDJY-MRXNPFEDSA-N	411.427	5.334	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	739157854	XXKMFYDXTDQKNG-IAQYHMDHSA-N	422.859	6.024	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C\c1csc(-c2ccc(Cl)cc2)n1	741841553	LZPISOSHKJSKHO-KTKRTIGZSA-N	417.889	5.524	30	20	HKED	
CC(=NN=Cc1sc(Nc2ccc(C)c(Cl)c2)nc1Cl)c1cnccn1	745201924	NQNNKLVKKHHOTA-UHFFFAOYSA-N	405.314	5.135	30	20	HKED	
CC(C)n1cc(C(=O)/C=C\c2ccc(/C=C/C(=O)c3cnn(C(C)C)c3)cc2)cn1	746686723	JNSBSLXIUWBWSR-DSOJMZEYSA-N	402.498	5.034	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	748183093	GGAGKQGHVRRKCA-ONEGZZNKSA-N	407.276	5.538	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccco1	750691929	VEZJWCONNMLOBG-PKTZIBPZSA-N	417.509	5.470	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1	752638027	WICVVOLKRODCFN-DQEYMECFSA-N	413.496	6.240	30	20	HKED	
C/C(=C\C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccccc1OC(F)F	753198034	UYOUOLVOYWMQIL-GXDHUFHOSA-N	424.369	5.154	30	20	HKED	
C[C@@H](Cc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	754527739	FXQKWAYCFNLFGJ-KBXCAEBGSA-N	405.910	5.390	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(O)c(F)c1)C(=O)c1ccccc1	755580869	GKXFPQHMOVGUEG-QNGOZBTKSA-N	417.480	5.561	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1	759037896	LHOWUOMNZXAIGO-IRXDYDNUSA-N	417.575	5.057	30	20	HKED	
Cc1noc(C)c1-c1ccc(OC(=O)c2occc2COc2cccc(C#N)c2)cc1	759895219	MRPMCRGSSNVKLA-UHFFFAOYSA-N	414.417	5.221	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764753189	IAEHJLBUJHKDCW-VIFPVBQESA-N	410.326	5.023	30	20	HKED	
Cc1nc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)sc1-c1ccccc1	767820802	PXBPWIRVZVEJFC-UHFFFAOYSA-N	400.507	5.311	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(SC(F)F)c(OC)c2)c1	772985770	YLTZEJMFPAVPGC-RHSMWYFYSA-N	406.498	5.542	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2csc(-c3ccc(F)cc3)n2)cc1	774580561	AZHUSRVVRBLEMK-UHFFFAOYSA-N	410.470	5.211	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2cc(C)ccc2SC2CCCC2)c1OC	776346147	FDGZLSLPQHVAQU-IBGZPJMESA-N	410.539	5.042	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1O[C@@H](C)C#N	780671114	PANUSIQZHKDJKA-HNNXBMFYSA-N	405.420	5.439	30	20	HKED	
CCC(CC)(CNC(=O)Nc1ccccc1O[C@H](C)C#N)N[C@@H](C)c1ccccc1	780673046	NFFDZXDIZYTHOT-MOPGFXCFSA-N	408.546	5.009	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	780678023	JWCNXBKKZVRSMX-KXBFYZLASA-N	417.431	5.755	30	20	HKED	
N#CCC1CCN(C(=O)NCCCN2c3ccccc3Sc3ccccc32)CC1	781929534	RTJVRQIZUXESGO-UHFFFAOYSA-N	406.555	5.015	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1=CCCCO1	783558110	WHABKMSZYXCZRP-LBPRGKRZSA-N	421.259	5.138	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787054361	UFVYDKVMOPBZFO-YGRLFVJLSA-N	424.353	5.082	30	20	HKED	
O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1csc(C(F)(F)F)n1	790800402	NOVFWMQXYXFESV-SECBINFHSA-N	423.256	5.641	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(F)c3F)o2)ccc1OC	790962028	XZYRRKKNXIGXBA-MRXNPFEDSA-N	412.436	5.204	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)ccc21	798447906	ZHDRFYXRZZYPRQ-UHFFFAOYSA-N	422.460	5.041	30	20	HKED	
N#CC1(CCCOC(=O)CCN2c3ccccc3Sc3ccccc32)CCOCC1	800081245	GESWQCMLIQUYAZ-UHFFFAOYSA-N	422.550	5.323	30	20	HKED	
N#CCCC[C@@H](NC(=S)Nc1ccccc1Oc1ccccc1)c1ccccc1	814210689	RTHKRLQUPSVSJU-OAQYLSRUSA-N	401.535	6.200	30	20	HKED	
Fc1ccccc1NN=Cc1cc(Br)ccc1OCc1ccccn1	818274502	IYEZWMWCOZZGNW-UHFFFAOYSA-N	400.251	5.008	30	20	HKED	
CC(C)n1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c(C2CCOCC2)n1	856597250	VPTGYPJVYJUCQS-UHFFFAOYSA-N	413.521	5.010	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)c(-c2ccccc2)n1	916130060	GOOVBHAREHABBK-CLFYSBASSA-N	401.853	5.759	30	20	HKED	
COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c(F)c1	916141455	LEVBTUAQPQLOKL-MDZDMXLPSA-N	402.828	5.076	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2cccc(Cl)c2)n1	916884292	AHATXJFDKYJTQN-HNNXBMFYSA-N	416.289	5.078	30	20	HKED	
C=CC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	917674067	LCIWFGYMXSKPLE-OAQYLSRUSA-N	415.880	5.372	30	20	HKED	
COC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	919893230	BQFDXQQDJMHLGD-UHFFFAOYSA-N	401.422	5.090	30	20	HKED	
N#CCOc1ccccc1C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1	919991190	WANXFWQGYFDPSI-QHCPKHFHSA-N	402.519	5.049	30	20	HKED	
CC(C)c1sc(NC(=O)CN2CCCc3cc(C#N)ccc32)nc1-c1ccccc1	1654579672	XWTGIZKVDVYTBB-UHFFFAOYSA-N	416.550	5.196	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2	1792570954	HKHSJDDBFHUCEJ-REPLKXPHSA-N	414.590	5.130	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1	1828129385	KDZLHFDYDAAEFO-GCJKJVERSA-N	422.569	5.187	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccoc1C	6912246	VACSRMJTTPKNEO-HNNXBMFYSA-N	410.543	5.277	30	20	HKED	
C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1-c1ccccc1	9448899	BSIJXCLQWFZMBS-UHFFFAOYSA-N	420.563	5.556	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccccc2CC)cc1	10173424	OHACXUJLNUOKOW-UHFFFAOYSA-O	407.534	5.289	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ncc(Cc2ccccc2Cl)s1	10973194	IAUPJNXMWFZKEP-UHFFFAOYSA-N	422.897	5.203	30	20	HKED	
C=CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)nc2-c2cccs2)SC1=S	16408029	VGLJAWHWWZQMOP-LDADJPATSA-N	423.588	5.047	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(C(CC)CC)cc1	22798064	OGQMGEXFSVDLET-UHFFFAOYSA-O	423.646	6.106	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1	23973925	VPSWCTQFGFGDKN-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1/C(O)=N/c1nnc(C(F)(F)F)s1	31565234	KNVAAPPEMUMEHR-UHFFFAOYSA-N	404.826	5.279	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)ccc1OCC(F)(F)F	56613180	GPKOVYMXXLBSHO-KRWDZBQOSA-N	407.367	5.007	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)c3cccc(C#N)c3)cc12	63325110	MLFBXJOEUBNEPO-UHFFFAOYSA-N	420.925	5.256	30	20	HKED	
COc1cc(Br)cc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	63777104	ZKLTZUKGBVURHL-UHFFFAOYSA-N	416.319	5.080	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ccccc2Br)cc1	71843743	KBWZJXXLGDTAMW-OAHLLOKOSA-N	403.345	5.185	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	71854094	SRMAMDMOUHZNMT-UHFFFAOYSA-N	403.221	5.056	30	20	HKED	
N#CCN(C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1ccccc1	215736944	LQPNEBCIIGGXFK-UHFFFAOYSA-N	416.477	6.035	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2ccco2)nc1C	303121383	MKJDIBPUUWDPPQ-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccoc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	303375763	LGDIZYRITNHIBM-AWEZNQCLSA-N	411.895	5.670	30	20	HKED	
C[C@@H](CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	303679355	LXBNJKDPGLZTQN-JTQLQIEISA-N	421.303	5.542	30	20	HKED	
N#C[C@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(-c2c(F)cccc2F)cs1	429692983	YAVYCAQANIDDSD-CYBMUJFWSA-N	409.392	5.266	30	20	HKED	
N#CCSc1cccc(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c1	430447608	FWVQQVRRCYBWCB-UHFFFAOYSA-N	415.729	5.071	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)c(Cl)c1	432502483	SZXOVCVDGRLOSL-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1cccc(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C	432918754	UAGBTWXHSDIHDH-UHFFFAOYSA-N	412.493	5.091	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1	433261468	WIOLCENVVGMVCX-IBGZPJMESA-N	417.431	5.270	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCCC(C)(C)[C@H]1C#N	434031188	MANBZBMEJNMRLL-MRXNPFEDSA-N	415.946	5.117	30	20	HKED	
Cn1cc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	434613314	ABCLSHXGBUZCOA-CYBMUJFWSA-N	420.719	5.055	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2o1	435770916	IRCFFINDHRONJG-ZDUSSCGKSA-N	412.232	5.588	30	20	HKED	
CCCc1c(NC(=O)c2ccc(Oc3cccnc3)cc2)cnn1-c1cccc(C#N)c1	440076437	SSVDUXLTTCDESK-UHFFFAOYSA-N	423.476	5.136	30	20	HKED	
CCCc1c(NC(=O)c2ccc(OC)c3ccccc23)cnn1-c1cccc(C#N)c1	440082220	VLPHREZRTQUSGD-UHFFFAOYSA-N	410.477	5.111	30	20	HKED	
CC[C@@H](CN(CC)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	441933232	KUNHWAHEPQLNLS-OALUTQOASA-N	423.582	5.062	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1nc2ccccc2o1	442670479	DFUVKZNUYHDXMW-GOSISDBHSA-N	424.391	5.174	30	20	HKED	
Cn1c(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc2cc(C(F)(F)F)ccc21	443906230	ZCOCDHNGFZNVOC-UHFFFAOYSA-N	404.285	5.607	30	20	HKED	
C[C@H](CC(F)(F)F)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444035829	SKOYXIRYSDAWBZ-KCJUWKMLSA-N	410.280	5.339	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	444170048	SZMAFJIONYLOOA-FVJLSDCUSA-N	411.546	5.099	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1C	445243845	YDRDGPHLLDNRHX-UHFFFAOYSA-N	414.465	5.080	30	20	HKED	
C=CCOc1cccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1	445246570	XZJNCSYSNJAALN-UHFFFAOYSA-N	420.431	5.098	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1cccc(C)c1	460797669	KFKDKAIOKLWTHQ-QHCPKHFHSA-N	402.542	5.221	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H](c2ccc(F)cc2)C[C@@H]1C	460808956	KQOXRVSKDXUVNT-SIKLNZKXSA-N	420.532	5.093	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2SCCc3ccccc32)cc1	463286859	LWMFOYDFPDURDN-XMMPIXPASA-N	414.530	5.301	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)o2)cc1	464083695	VKEMXZICJRZGKC-UHFFFAOYSA-N	410.477	5.436	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)c(C)c1	466368602	MNQWFDOYSYCLNJ-QHCPKHFHSA-N	419.912	5.634	30	20	HKED	
N#C[C@@H](C(=O)c1ccoc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	467191129	NBXXCCKIMISUIG-AWEZNQCLSA-N	403.290	6.077	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	467906224	OOBPOKOIDVKPFZ-SSEXGKCCSA-N	418.562	5.605	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)ccc1F	468636132	XLNGTTBHVDGXRZ-CYBMUJFWSA-N	408.951	5.603	30	20	HKED	
Fc1ccc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nc1	469765552	BGWUTFUQAJSJJH-ZDUSSCGKSA-N	420.250	5.652	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C(F)(F)F)o1	471748665	YQEXZDHUSCHPLQ-UHFFFAOYSA-N	400.356	5.832	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1c(Cl)cccc1Cl	472345049	DMGQBIZZWRGXHE-ZDUSSCGKSA-N	407.606	5.660	30	20	HKED	
CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CC2	476669558	LUPGKYPLALANHY-HTAPYJJXSA-N	412.537	5.054	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N	480584746	XTGXGAIWOJVKDL-SIFCLUCFSA-N	417.962	5.632	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN(Cc2ccc(C#N)cc2)C2CC2)on1	480748939	MTDQBAOVKNLCEH-UHFFFAOYSA-N	409.489	5.540	30	20	HKED	
Cc1ccccc1N(C(=O)CSc1ccc(C#N)cc1)c1nc2ccccc2s1	482206308	CRORHJYPLFVUOH-UHFFFAOYSA-N	415.543	5.933	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCCC[C@@H]1C=C)(C3)C2	488873160	SUXCJPVRLINJRH-KNBCLTASSA-N	424.629	5.097	30	20	HKED	
CCCCc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n[nH]1	494547153	JQRLPVLDZKCZDA-UHFFFAOYSA-N	403.486	5.041	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	495469278	DTKCHZPXWNVLLN-KRWDZBQOSA-N	413.587	5.056	30	20	HKED	
CCN(CC(=O)N[C@H](c1ccc(C)cc1)c1cccs1)[C@H](C)c1ccc(C#N)cc1	497618397	OAOLWODHYRQQPR-KBMIEXCESA-N	417.578	5.217	30	20	HKED	
C[C@H](NC(=O)[C@H](C)Cc1cnc2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	498949973	XXNPOBLOAXIDTE-MOPGFXCFSA-N	420.516	5.224	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(OC(F)F)c3ncccc23)c1	502618989	BWGUJORQTFYIDS-UHFFFAOYSA-N	412.396	5.163	30	20	HKED	
COc1cc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc(OC)c1OC	503225954	OTVDFTBRGBAQNX-UHFFFAOYSA-N	419.437	5.020	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCc3cccc(OC4CCCC4)c3)CC2)cc1	504006468	SBJKMJKNZMUANR-UHFFFAOYSA-N	400.522	5.128	30	20	HKED	
Cc1ccc(C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccn2)cc1	504023573	JQPFUEXWTTZRHB-AREMUKBSSA-N	422.532	5.044	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	506583107	FOIMVVRUIZLCFM-MRXNPFEDSA-N	404.539	5.802	30	20	HKED	
C=CCn1c(SCc2cc(C)nc3ccccc23)nnc1-c1ccccc1OC	509954708	DNXFYZIFOLANAU-UHFFFAOYSA-N	402.523	5.289	30	20	HKED	
N#CCCCOc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1	515631325	VNPYQUMSOMFZNR-UHFFFAOYSA-N	419.717	5.130	30	20	HKED	
C[C@@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccc2ccccc2c1	515669719	VXCIUSOGMNPILV-GOSISDBHSA-N	422.488	5.188	30	20	HKED	
N#Cc1cccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c1	517315060	CKTVDDADGBWJQW-UHFFFAOYSA-N	410.296	5.119	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCc2ccccc2)CC1	517474085	MHIJSFFGOIDYTN-GOSISDBHSA-N	409.555	5.151	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2	518683095	ILXODYNFXPDEKF-YJBOKZPZSA-N	409.511	5.036	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	520712794	YPAAFTCEIZHOPJ-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	521963014	ATSGWNYLLQMJSY-OYRHEFFESA-N	419.569	5.033	30	20	HKED	
Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	523585147	SDEGFUHKWVPHBM-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
Cc1ccc(C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccn2)cc1	523770244	ONYATOLAKWXXPX-RUZDIDTESA-N	412.537	5.166	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	524831092	JCZVLOIAZLMOTQ-XMMPIXPASA-N	414.509	6.059	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2nc1C	525737156	OVMFDNCHDOJQPE-UHFFFAOYSA-N	412.424	5.302	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)c2)c1	535421711	JOYQMCWIZWVCAM-UHFFFAOYSA-N	418.403	5.203	30	20	HKED	
N#Cc1ccc(-c2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)s1	535959019	JTUSAAITIUNPHB-UHFFFAOYSA-N	413.487	5.522	30	20	HKED	
C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1	536834327	UQHCHZGNYPUVKN-CPJSRVTESA-N	410.521	5.609	30	20	HKED	
C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1	536834341	UQHCHZGNYPUVKN-NLFFAJNJSA-N	410.521	5.609	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1C1CCCCC1	538483558	RQGPPTXHVYXFOE-LJQANCHMSA-N	415.522	5.182	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3ccccc3)o2)cc1	542215562	QNNVXSLDTZDGIW-UHFFFAOYSA-N	408.457	5.844	30	20	HKED	
Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N	542314213	NBUQOIBBPYNSNT-UHFFFAOYSA-N	420.472	5.713	30	20	HKED	
CCCN(CCC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1	542349401	HFGHLTRXJLIGBB-UHFFFAOYSA-N	418.541	5.017	30	20	HKED	
COc1cc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC	543962766	ITTBPCPTSBSIJI-ZWKOTPCHSA-N	416.521	5.663	30	20	HKED	
Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4cscc4C#N)cc3s2)s1	550099528	YOVGNAGWWLJOCM-UHFFFAOYSA-N	424.532	5.104	30	20	HKED	
CC[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(Cl)c1	553446035	NECZCCJDROOYHI-FQEVSTJZSA-N	415.896	5.055	30	20	HKED	
Cc1nc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)oc1-c1ccc(Cl)cc1	555126691	FXIQGBDQYDIHNQ-UHFFFAOYSA-N	416.868	5.975	30	20	HKED	
Cc1cccc(Oc2ncccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1C	555413579	URSCLBYLIKTKBK-UHFFFAOYSA-N	412.371	5.029	30	20	HKED	
N#Cc1cc(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)ccc1F	558190783	ZUUNDFYNVJHREF-UHFFFAOYSA-N	412.877	5.064	30	20	HKED	
CC1(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1cccs1	562026465	SIKCGHMXKDDDNZ-SFHVURJKSA-N	408.552	5.282	30	20	HKED	
C=CCC[C@@H](NC(=O)CCCn1c(C)cc(=O)cc1C)c1ccc(C(F)(F)F)cc1	564513023	GQERIORHAPLFKB-OAQYLSRUSA-N	420.475	5.088	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCc1cccc(F)c1F	579937228	LGHUQQSCPMUWAJ-AWEZNQCLSA-N	406.523	5.273	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCC[C@H](CCOC)C1	580500553	RLJPJSMLGGZYOG-QGZVFWFLSA-N	421.010	5.053	30	20	HKED	
C=CCN(C(=O)Cc1cccnc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	599469513	MTGZZYFFMVHVOF-UHFFFAOYSA-N	411.530	5.634	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nn1C(C)(C)C	604027119	GSTJAVRUNKCKJW-UHFFFAOYSA-N	408.889	5.516	30	20	HKED	
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604027147	JALLSPQGYSVUNU-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	604044613	YCHDAQUDWLVFJJ-UXHICEINSA-N	413.521	5.124	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)cn2)c1	604408183	SFPZQQWUWATAJE-UHFFFAOYSA-N	420.881	5.708	30	20	HKED	
CCCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](C)c1ccc(C)o1	604495024	BWSDETBDYWFIDP-QGZVFWFLSA-N	422.554	5.902	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2nc(C)c(C)nc2c1	609061430	BYFRDLMLAGPQAP-UHFFFAOYSA-N	422.488	5.258	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	609164507	PJGGSZJBRKFTLQ-FQEVSTJZSA-N	420.944	5.816	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCCc3sccc3C2)cc1	609332412	XUCSDKGHIVEXJK-UHFFFAOYSA-N	404.560	5.501	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1	609377418	UQQZVIALBDOHNJ-IBGZPJMESA-N	400.547	6.099	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl	609428125	AKGSZQZAYJPSSE-KGLIPLIRSA-N	407.366	6.205	30	20	HKED	
CC(C)(CNC(=O)CCCCOc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1	609503622	FTGSKZSIUZCXRG-UHFFFAOYSA-N	418.459	5.220	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(ccc3ccccc32)[nH]1)c1ccccc1Br	609591519	ORVPULMYVGJIDV-FQEVSTJZSA-N	404.267	5.078	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N(CC#N)c1ccccc1)c(C)n2Cc1ccccc1	609969268	KUIHSUOCALTHEK-UHFFFAOYSA-N	409.489	5.177	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c(Cl)c1	610891225	ZWCIWJUGOKHAGW-UHFFFAOYSA-N	423.712	5.213	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	610901100	RGYJSWDHXNQPNC-UHFFFAOYSA-N	401.413	5.190	30	20	HKED	
CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)N[C@H](CCC#N)c1ccccc1	610972485	AMFQFDSRZXWJSC-JOCHJYFZSA-N	420.488	5.100	30	20	HKED	
COc1ccc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1OC1CCCC1	611094283	BSTDCRRHLZRWMF-UHFFFAOYSA-N	419.308	5.125	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1noc(-c2ccc(Cl)cc2)n1	611215754	YIRIUYFTWSQDHQ-VIFPVBQESA-N	421.671	5.059	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(C#N)c(Cl)c2)c1	619765166	ZBHXKENQXGMVIA-UHFFFAOYSA-N	418.324	5.170	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1	639431437	KOIKZZIVQLQUES-ZDUSSCGKSA-N	404.491	5.459	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1OC1CCCC1	680168084	LHIUINPBRDCECZ-MRXNPFEDSA-N	410.470	5.255	30	20	HKED	
CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCC1	727148242	NKUIAUDIMAIUKK-UHFFFAOYSA-N	421.497	5.127	30	20	HKED	
CCOC(=O)CCOc1ccc(C(=O)/C=C\c2csc(-c3cccs3)n2)cc1	728440677	RHADWDMPAPGEQH-YFHOEESVSA-N	413.520	5.100	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	728668557	YGAZPNGTKPXMAB-SFHVURJKSA-N	414.461	5.151	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1	730219729	ILHDDWFBHWWEDF-UHFFFAOYSA-N	403.482	5.014	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1	731038695	QNCSCKDJHFLSOP-SANMLTNESA-N	400.497	5.310	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc3c4ccccc4n(C)c3s2)cc1	731192981	WVLNVRIVXYQKMP-UHFFFAOYSA-N	403.507	5.352	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)C12CC3CC(CC(C3)C1)C2	733081223	RHKALRFGUPQJQX-UHFFFAOYSA-N	415.463	5.562	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)C)c2ccccc2C)ccc1OC	733649737	DCDSHALPOAXLTB-UNMCSNQZSA-N	423.557	5.271	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)ccc1OC	733657676	XTRHIERODCMWIL-RTWAWAEBSA-N	413.562	5.021	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1C	739829701	IQUDEZVXMQKNRB-OAHLLOKOSA-N	423.520	5.219	30	20	HKED	
CCCCCC[C@@](C)(CCC)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	742605347	QYFUSIHKGJNIGL-RUZDIDTESA-N	411.590	5.512	30	20	HKED	
CCc1ccc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1	743093176	NXCROBGVGJSNLZ-AREMUKBSSA-N	424.548	5.259	30	20	HKED	
C=CC[C@H](NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccncc1	746601962	KNBJGAFDOWPVCX-INIZCTEOSA-N	403.429	5.271	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCOc2ccc(F)cc2)cc1	746659633	MPRZTJRJWXJEGE-HSZRJFAPSA-N	403.457	5.072	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)n1	747197672	MHPNEISPOQFOLZ-FPOVZHCZSA-N	416.502	5.211	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3cc4ccccc4n3CC#N)n2)c1	747867624	MAZSLRLHCHSMKL-UHFFFAOYSA-N	415.453	5.229	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(s1)-c1ccccc1OC2	749361155	IRBIFEMWFNSVAJ-UHFFFAOYSA-N	411.486	5.057	30	20	HKED	
COc1ccc([C@H](C)CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	750689385	LVOVSPMONXJXEU-MLGOLLRUSA-N	418.440	5.694	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2cccc(F)c2)s1)CCCC3	750918064	PEENKPQAYSXQAR-UHFFFAOYSA-N	409.511	5.087	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCc2cc(Cl)ccc2Br)n1	751177173	FDNBOXYRCYLHHD-ZDUSSCGKSA-N	411.752	5.491	30	20	HKED	
C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1)c1ccccc1	758911404	ATZHSNFXURPYRD-GOSISDBHSA-N	406.507	5.231	30	20	HKED	
CC(C)Oc1cc(O)ccc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	763720943	AVMCHBLFKAHJIN-OAQYLSRUSA-N	401.466	5.479	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c1	770396710	YFLZSXQARCTPKD-AVRDEDQJSA-N	413.468	5.083	30	20	HKED	
Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1[C@H]1CCOC2(CCC2)C1	771905146	TWNUVVSSFJFGTG-SFHVURJKSA-N	420.538	5.200	30	20	HKED	
N#CCSc1ccccc1C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1	772751141	JAVCISUYBVPBKS-UHFFFAOYSA-N	405.350	5.461	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(OC)cc1	776085194	YYUZQXFCNDQTFZ-CVEARBPZSA-N	412.461	5.467	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)c1ccc(Cl)cc1	777303452	ACZPRJFALHMFAU-XHDPSFHLSA-N	417.317	5.688	30	20	HKED	
COc1cccc2[nH]cc(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12	778256187	IJRYAXUAERBXPR-JOCHJYFZSA-N	424.504	5.196	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1N(C)Cc1ccccc1	780534938	XDPDURMOYGTMHH-SFHVURJKSA-N	400.482	5.258	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	780671107	PALMAYQKANGKLJ-VLIAUNLRSA-N	411.914	5.603	30	20	HKED	
COc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)cc1OCc1cn2ccccc2n1	781420716	COVXZLXEOCZGGX-INIZCTEOSA-N	416.456	5.106	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2sccc2SC(F)F)c1C#N	782227146	JGFPWEYTTMELPI-UHFFFAOYSA-N	422.507	5.094	30	20	HKED	
C=CCCN(Cc1nnc(-c2ccccc2Br)o1)OCc1ccccc1	782669665	QLZJDRVJHUITAH-UHFFFAOYSA-N	414.303	5.009	30	20	HKED	
N#CCOc1cccc(CC(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1	791906227	KFIRAWMKYDBLOK-NRFANRHFSA-N	416.443	5.294	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc2c(c1)OCO2	796756720	OAFSOFBTTQVVKV-MFKMUULPSA-N	418.396	5.024	30	20	HKED	
CCOc1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1	801666230	RZSSCUZMSXYYJQ-OAHLLOKOSA-N	409.301	5.772	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1Br	808870984	XHVHTXHVRNYTGP-UHFFFAOYSA-N	419.369	5.442	30	20	HKED	
O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F	808913066	HQLGWSCSUONZBK-UHFFFAOYSA-N	403.656	5.908	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CC(C)(C)[C@@H]2c2ccncc2)c1=S	814230112	JRGHEFZCFFQTKZ-FQEVSTJZSA-N	405.571	5.011	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1cnc2ccccc2n1)c1csc(-c2ccccc2F)n1	816045195	FFRBHOLXBWGEBZ-OAHLLOKOSA-N	416.481	5.046	30	20	HKED	
Cc1cc(CC(C)(C)C(=O)[C@@H](C#N)c2cnc3ccccc3n2)ccc1Br	816045663	SJYVBHFJBDXINL-INIZCTEOSA-N	422.326	5.146	30	20	HKED	
CN(C)c1ccc(C#N)cc1CNc1ccccc1SC[C@H]1CC1(Cl)Cl	864025505	JCMXRTMWURCKSE-MRXNPFEDSA-N	406.382	5.522	30	20	HKED	
N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2ccccc2)cs1	915102472	UFTGUVLKGAVFQZ-KRWDZBQOSA-N	417.465	5.413	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(C)C)cc1	915351876	HLPGBQDGLVPZKH-DQEYMECFSA-N	413.521	5.869	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)oc2ccc(Cl)cc12	916936422	KFXKDASCHDNALY-ZDUSSCGKSA-N	405.212	5.148	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3)n2)cc1	916954558	IZYWNTZRYDAUAM-BEFAXECRSA-N	403.507	5.285	30	20	HKED	
CCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)s1	917560405	XGEWTUYUIXOJNW-UXBLZVDNSA-N	400.500	5.487	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1OC	917774605	NXCHCLXSKYDYHO-QPEQYQDCSA-N	418.468	5.041	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)s1	920102168	QVDAIVRPGQNKFO-QGZVFWFLSA-N	402.450	5.549	30	20	HKED	
CC(C)(C)c1ccc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1	920399752	YZOMBPZMCKMABB-UHFFFAOYSA-N	404.297	5.892	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1	1819556876	PMWSDTJYRVYYEM-DVECYGJZSA-N	412.578	5.141	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1	11160065	PXPZIDISRSDCGF-UHFFFAOYSA-O	407.534	5.343	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12	26041130	VSKKFYSLSAHMHI-UHFFFAOYSA-N	420.563	5.200	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1	35562981	LNZZJTQHIXBJIL-UHFFFAOYSA-N	421.334	5.261	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OC(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	41549101	IZMXHUYQJKVKGM-LBPRGKRZSA-N	412.339	5.407	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1ccc2ccccc2n1	48856116	NVSMJONQDIVUTI-GOSISDBHSA-N	401.516	5.474	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccccn3)c2)cc1	56661950	YIJYPYIWZVBOMH-XMMPIXPASA-N	412.493	5.096	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4)n3)n2)cc1	60043753	CIAHKKACWVRGFB-QGZVFWFLSA-N	412.499	5.295	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1F	216103962	YLDHBHJECSIBJY-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2ccc(C)cc2)cc1	303097521	GGNIQWJQANIDDA-GOSISDBHSA-N	415.493	5.893	30	20	HKED	
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	303377584	LRZBLEDSHYPZQV-SJORKVTESA-N	424.570	5.245	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)cc1F	435989314	CCBSSLKUFVMTOI-CYBMUJFWSA-N	408.951	5.745	30	20	HKED	
CCCCCn1c(=O)c2ccccc2n2c(SCCCCC(C)(C)C#N)nnc12	436120906	BHPIHQQHRISHGG-UHFFFAOYSA-N	411.575	5.047	30	20	HKED	
CCO[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C12CCCC2	437123690	FNSWWKXQBGPQMT-PKTZIBPZSA-N	420.578	5.318	30	20	HKED	
COc1cc(NC(=O)CCS[C@@H](C)c2ccc(C#N)cc2)c(OC)cc1Cl	437278427	SXMCWKYSZLSATK-ZDUSSCGKSA-N	404.919	5.052	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(F)(F)F)c(F)c1	439135899	POMOWQJKWJUXMU-UHFFFAOYSA-N	415.346	5.464	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	443878154	AMEXFTVISRYEMY-GFCCVEGCSA-N	408.383	5.049	30	20	HKED	
Fc1ccc([C@@H](NCc2ccc(OCC(F)(F)F)nc2)C(F)(F)F)cc1Cl	444819675	SYMKERMJJOOFMB-CQSZACIVSA-N	416.724	5.208	30	20	HKED	
CCCCn1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C	448311857	QYCMPPLOXNICRK-UHFFFAOYSA-N	408.889	5.561	30	20	HKED	
CCCCn1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C	448426810	UYSCTTZVFJDTMP-UHFFFAOYSA-N	404.539	5.408	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1	464814720	NHBOCMODTVJXOD-HKUYNNGSSA-N	413.308	5.315	30	20	HKED	
C=CCOc1ccc(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1OC	466451426	IRNCBNLRHAOPQH-HXUWFJFHSA-N	420.578	5.279	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1cccc(F)c1	472764066	GYHKJNGVFRYLSH-QVKFZJNVSA-N	420.513	5.360	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)NCc2cccc(C#N)c2)nc1-c1ccccc1	481064349	WJYKNBOFQCSNMZ-OAQYLSRUSA-N	414.509	5.383	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	483996661	VMJUZIZUKUUMEY-INIZCTEOSA-N	400.265	5.205	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(-c4ccccc4)no3)o2)cc1	489816277	ZLKOZKQPCJJZLV-AWEZNQCLSA-N	406.467	5.205	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc2cccc(C)c2[nH]1	495242964	KDZBUCUOIQHVOC-UHFFFAOYSA-N	410.477	5.415	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1	499884929	DOVBBLLUGCHCBA-KSFYIVLOSA-N	420.513	5.526	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	501130048	BYKXOYYRLGLAIL-UHFFFAOYSA-N	408.533	5.428	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Br)cc2Cl)cc1	502700799	RVOFUHKQQCYNOU-UHFFFAOYSA-N	423.698	5.054	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)Nc2ccccc2CCC=C)O1	504288943	IRCRFHZYJDLKMM-DNQXCXABSA-N	418.537	5.049	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(Cl)c(Cl)c1	505982179	QARDVFWYVJZXTC-IOASZLSFSA-N	411.235	5.079	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1	506598007	XBWNHQVXBMTYPM-UHFFFAOYSA-N	424.953	5.791	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1cn(C)c2ccccc12	506628743	VJTJXJHSTFVBEN-QGZVFWFLSA-N	410.477	5.288	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cccc(F)c2)cc1	508288795	NQFXOEWMFUBGPS-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1nc(-c2ccccc2)cs1	508333728	SRTHABNUNCXYQY-UHFFFAOYSA-N	401.491	5.606	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	509668661	XRYFUKZYSDNHIH-AWEZNQCLSA-N	410.930	5.484	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1	512512732	ZFTIGCVAUJAPPD-OAHLLOKOSA-N	408.502	5.032	30	20	HKED	
CCSc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	515677715	UTRYLWQRPXEKTE-UHFFFAOYSA-N	401.491	5.175	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1	515927322	OWSWYZNVIQTKAH-UHFFFAOYSA-N	407.495	5.249	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(Oc4ccccc4)c3)n2)cc1	516331680	NSBKCDSJEGKCJN-FQEVSTJZSA-N	411.486	5.796	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)nn1-c1ccc(Cl)c(Cl)c1	516437880	COVMQRPEOASNSO-ZDUSSCGKSA-N	419.337	5.558	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)cc(Cl)c3)n2)cc1	516714213	VJUCUAOJMUMLKQ-INIZCTEOSA-N	403.290	5.616	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	517137831	ITFPJHKKPRCZFA-NRFANRHFSA-N	421.541	5.724	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1OC(F)(F)F	517473741	RVIKKCVNTVHRHG-ZDUSSCGKSA-N	409.433	5.159	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccccc1	518421228	PUFPUBPZEBALSD-UHFFFAOYSA-N	400.453	5.202	30	20	HKED	
Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	519558701	LVUHMDKUFOWBJP-SIKLNZKXSA-N	407.583	6.539	30	20	HKED	
N#CCc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc3ccccc3c2)cc1	520270312	FSCISFUGZOPQBA-MHZLTWQESA-N	405.501	5.224	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)cc1	520835376	LOMFZJQGBUHOKZ-UHFFFAOYSA-N	418.362	5.982	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	520939232	NXVHSUHKTXMBPC-GHTZIAJQSA-N	410.587	5.285	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2)nc1	521093205	WXUSDCYNQIRERO-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cs1	521885225	MNCJODFLDPKTJS-MRXNPFEDSA-N	401.413	5.132	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(CC)o2)nc2sc(-c3ccccc3)cc2c1=O	521957953	HOLOTBNCSHGKKL-CYBMUJFWSA-N	424.551	5.110	30	20	HKED	
COc1cccc(N(CC(C)C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1	524381516	HCEIZRRZWBEHKK-UHFFFAOYSA-N	404.466	5.042	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc(Cl)c(C#N)c3)ccc21	524539186	WTMFNJCMSZAKFS-UHFFFAOYSA-N	406.795	5.413	30	20	HKED	
CC(C)OC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	531184407	JIQCSXVMWWHYEO-OAQYLSRUSA-N	411.933	5.417	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1	534046729	RQOLWGZUTMESSB-XMMPIXPASA-N	417.553	5.201	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)cc1	535679711	KLQHUAMQWMQQAF-KRWDZBQOSA-N	421.545	5.190	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	535971350	VAYSNLVWMFEROM-HNNXBMFYSA-N	423.504	5.348	30	20	HKED	
Cc1cc(-c2nnc(CN(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)o2)c(C)o1	536349692	RECFMTRKOSEMNT-UHFFFAOYSA-N	416.456	5.160	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1ccccc1Cl	540639227	GKCNDPHBNACSPP-AWEZNQCLSA-N	410.930	5.338	30	20	HKED	
C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2cc(C(F)(F)F)ccc2S1	540735053	MMJDDIKQSSBDGT-AWEZNQCLSA-N	416.468	5.792	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)s1)c1ccccc1	541342004	IHNSFFXSSYAVFR-HZPDHXFCSA-N	418.360	5.402	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@@H]3OCCc4ccccc43)no2)cc1	545709403	NELSETRUWKNAHV-JOCHJYFZSA-N	413.408	5.202	30	20	HKED	
C=CCn1c(SCc2cc(OC)ccc2Br)nnc1-c1ccoc1C	550013040	KNZNFDDUQHIRBG-UHFFFAOYSA-N	420.332	5.096	30	20	HKED	
N#C[C@@]1(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)CCc2ccccc2C1	552169809	KLTJRHKPEREEIL-HHHXNRCGSA-N	403.485	5.083	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)sc2ccc(C#N)cc12	552546966	LLOVIAPONPYPKK-LBPRGKRZSA-N	404.413	5.663	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c2ccccc21	553909911	VUJIJIZSLXCOJA-LJQANCHMSA-N	423.969	5.605	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc2ccccc2[nH]1	557495913	CPKUWHSXOUCVNB-AWEZNQCLSA-N	416.868	5.371	30	20	HKED	
Cc1ccccc1-c1nnc(C)n1-c1ccc(Oc2nccc(C#N)c2Cl)cc1	561261442	SVPZBKOPZHNLBF-UHFFFAOYSA-N	401.857	5.264	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564259248	BYQRVBYXJQKMDR-UHFFFAOYSA-N	418.503	5.491	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC(OC4CCCCC4)CC3)cc2)ccn1	564498075	OFUGHVQDPJNHFV-UHFFFAOYSA-N	420.513	5.091	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N	575772726	HZFRNWUYWAOIRN-JWUVWSEFSA-N	423.582	5.554	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1cccs1	589018983	ZIHQSQAABZNEBH-FQEVSTJZSA-N	416.593	5.552	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)o2)cc1	604044209	BXKTVNFYAJAVEK-SFHVURJKSA-N	410.477	5.669	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(Cc2ccccc2)CC1	608938095	BXFOXZUMKXKOKH-UHFFFAOYSA-N	401.535	5.137	30	20	HKED	
COc1ccccc1C1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1	609060366	ACYSYYKOVQXVNM-UHFFFAOYSA-N	412.489	5.125	30	20	HKED	
N#CCn1c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc2ccccc21	609161166	CDOPUGRWURKIPD-UHFFFAOYSA-N	409.449	5.061	30	20	HKED	
N#CCn1c(C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc2ccccc21	609171396	VDHKBMQODCVTEB-LJQANCHMSA-N	411.427	5.551	30	20	HKED	
Cc1cccc2sc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c(Cl)c12	609377385	UYMXYMNKFXZEOT-LBPRGKRZSA-N	400.956	6.367	30	20	HKED	
COC(=O)c1ccsc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609723583	ISGANBJPAFGVQW-UHFFFAOYSA-N	412.854	5.104	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3ccc(F)cc3)C3CC3)cn2)cc1	609743661	GULWINJFASMVOM-UHFFFAOYSA-N	416.456	5.124	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(Nc3ccc(C#N)cc3)c1)CCC2	609989110	AMMWMIZHIYTGSI-OAQYLSRUSA-N	402.523	5.216	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)N(CCC#N)Cc3ccccn3)c2)c1	610197197	FXNJWIOORXKXNL-UHFFFAOYSA-N	415.562	5.547	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21	618752370	SGJPAURZGOJBLT-VWLOTQADSA-N	422.488	5.126	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674572297	HVIHGWUJYYCZAH-NXEZZACHSA-N	408.264	5.218	30	20	HKED	
COc1c(C)cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1C	726073434	BUZKYPVPSCSSNT-DEOSSOPVSA-N	413.521	5.631	30	20	HKED	
Cc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c(C)n1-c1ccc(C#N)cc1	728265297	KBKSTHBMMNDWTI-KRWDZBQOSA-N	414.534	5.409	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1	728913505	AACLYUCQDQHRGV-KDOFPFPSSA-N	409.942	5.352	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	729176940	NVRFTHJBQHWCHF-DEOSSOPVSA-N	411.505	5.076	30	20	HKED	
COc1cccc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCCC2)c1	731166577	SJOVDDKTYVJFBE-RUZDIDTESA-N	410.517	5.801	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOc3ccc(F)cc32)cc1	731752448	GPLOBPSBLNKCOQ-VXKWHMMOSA-N	401.441	5.126	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3ccccc3C)CCCCC2)ccc1OC	733231955	LKCVDHUTRZMVGV-OAQYLSRUSA-N	420.553	5.203	30	20	HKED	
C=CC[C@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccncc1	734510178	SMIXUIUEBQORSA-DLBZAZTESA-N	404.354	5.361	30	20	HKED	
Cc1ccc(-c2csc3ncnc(NN=C4CCC(O)(C(F)(F)F)CC4)c23)cc1	734745054	HHINCCLSUZFHSB-UHFFFAOYSA-N	420.460	5.302	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(Nc3ccccc3)c2)ccc1OC	735658370	DRBWERPIYHHKOV-QFIPXVFZSA-N	415.493	5.050	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(F)(F)F)c1	739161886	UYSOOYUAXWLUNT-CXAGYDPISA-N	415.440	5.594	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)CCCOc3ccc(F)cc3F)c2)s1	739599898	PYHFXSYLJBJBGI-UHFFFAOYSA-N	412.461	5.040	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCSc4ccccc43)c2)s1	740027339	NUBMOGXTVLSASQ-IBGZPJMESA-N	405.548	5.323	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)c3ccco3)c2)s1	740468087	PHNNWSVVAIMKND-HSZRJFAPSA-N	413.502	5.469	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C=NNc1c(Cl)cc(Br)cc1Cl	741845359	SYEGHIKFIQFATQ-UHFFFAOYSA-N	424.557	5.712	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1ccc(Oc2cnccn2)cc1	743056531	XLDOESSCEWOIES-DHZHZOJOSA-N	417.465	5.736	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1	743125857	YETNFUASKZCEGN-JKSUJKDBSA-N	408.502	5.027	30	20	HKED	
C=CCn1c(SCc2cccc(Cl)n2)nnc1-c1ccc(Br)cc1	743246255	DABIKYLQDOLQJK-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1	743465637	OVSVOEXJNLXSRH-IBGZPJMESA-N	419.525	5.174	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	744028003	GQJHSGYKRXEHMR-GUDVDZBRSA-N	401.293	5.007	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1	745406715	UAYKREHDKHAKFH-UHFFFAOYSA-N	423.925	5.523	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(-c4cccc(F)c4)c(F)c3)CCO2)c1	753049814	JSSWXVMTCZTYSZ-QHCPKHFHSA-N	419.431	5.109	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	754473576	YOZQSEOKPIMKTD-UHFFFAOYSA-N	422.529	5.658	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(N2CCCC2)c1	755775181	GNPCQLFYQWYAOX-FQRUVTKNSA-N	424.548	5.825	30	20	HKED	
N#C[C@@H](C(=O)C1(c2c(Cl)cccc2Cl)CC1)c1nc2cc(F)ccc2s1	759552061	WTNOLMWSAXICJR-NSHDSACASA-N	405.281	5.650	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2Br)cc1	763549631	SSOSMJCTCRTPCW-LJQANCHMSA-N	421.294	5.122	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	766843121	FGZXQXHWXHWCDZ-SAAWKEMMSA-N	414.317	5.792	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)ccc1OC	774450900	VRCBTOHDVKQMQU-WFASDCNBSA-N	408.329	5.116	30	20	HKED	
COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCc2ccc(OCC#N)cc2)c1	775459831	PIXGLGHGAWPKHW-AREMUKBSSA-N	400.522	5.288	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)Cc2c(C)nc3ccccc3c2C)cc1	776390897	XQINHYPFQOBYEK-UHFFFAOYSA-N	402.494	5.042	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CSCCS1)c1nc(-c2ccc(Cl)cc2Cl)cs1	780313351	OYMLRCLRZCXBKO-FZMZJTMJSA-N	415.392	5.142	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1	782778011	NNTBWKYSRBNZHS-LJAQVGFWSA-N	414.571	5.276	30	20	HKED	
C=CCCN(C)Cn1nc(-c2ccc(OC)c(OC)c2)n(C2CCCCC2)c1=S	786100833	AYMLACDNIAFCJM-UHFFFAOYSA-N	416.591	5.069	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccc(F)c(Br)c1	813058576	ZYIQDKDRHBCSSL-BBRMVZONSA-N	411.274	5.506	30	20	HKED	
CC(=NNc1ccc(C)cn1)c1sc(-c2ccccc2Br)nc1C	814831946	YHSXZYBTXUNILM-UHFFFAOYSA-N	401.333	5.421	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353656	VWZLNQKUCINFCR-QFIPXVFZSA-N	421.447	5.607	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(SC(C)C)cc1	916898906	GEFVWEBSTDYAME-INIZCTEOSA-N	416.930	5.119	30	20	HKED	
CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920143441	ZVECWFJESQIEPC-CDDKBXLESA-N	411.530	5.869	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2sccc2s1	1798029544	RHSTWMMKOGXYIS-MUJYYYPQSA-N	416.612	5.207	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1829068577	FTNWOTNWUXBJOC-OTOIZHKDSA-N	414.634	5.345	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830346775	OOUQEHZVOBUPMM-DKUDOZJNSA-N	412.618	5.121	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1	8244076	VWSXBRAFFSBGMB-UHFFFAOYSA-N	409.338	5.010	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(CC)cc2)cc1	10173775	JRUIXKBLWNKOQF-UHFFFAOYSA-O	423.533	5.125	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(CC)c2)cc1	10174448	NMEYDFJZDOUHCH-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(F)cc1	24014733	MFQIUXJWQPSROV-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
CCC(CC)n1c(COc2ccccc2Cl)nnc1Sc1ccc(C#N)cn1	42848224	QKMQIRKHTLIMMO-UHFFFAOYSA-N	413.934	5.289	30	20	HKED	
C=CCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1	58642214	UAEXKCAHMYLHQI-UHFFFAOYSA-N	423.866	5.189	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2cccc(O)c2)C(=O)c2ccccc2)c(Cl)c1	213691234	RZKIEDBNILHXAM-ZHZULCJRSA-N	405.881	5.567	30	20	HKED	
C=CCN(C(=O)CCSc1ccc(OC)cc1)c1nc(-c2ccccc2)cs1	302902070	ZWXZQRDQXDEKOP-UHFFFAOYSA-N	410.564	5.520	30	20	HKED	
CCN(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1	303405987	PZXPLAUVBPRMLE-RUZDIDTESA-N	413.521	5.077	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)o1	303427213	ZWVYKOBYXUYMQE-FUHIMQAGSA-N	423.582	5.258	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1	303668462	YCMIRRBBMOVUPZ-UHFFFAOYSA-N	422.431	5.011	30	20	HKED	
CCC1(CC)Oc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2O1	430335663	XEZKTJSRSDQVMN-UHFFFAOYSA-N	416.481	5.004	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)CC2	431626773	XLXGEOAPEFXFGX-OAQYLSRUSA-N	414.461	5.036	30	20	HKED	
O=C(N[C@H]1CCCC(F)(F)C1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436383850	CWTUFNPGDDJCLM-QWHCGFSZSA-N	418.328	5.576	30	20	HKED	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)CCO2	437673041	JZPHEEBZMXRRPQ-HSZRJFAPSA-N	413.477	5.125	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	438040387	IKFCVFBXGGKGTM-INIZCTEOSA-N	413.612	6.532	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	438056799	SCNVVAYKZCHTHM-UTKZUKDTSA-N	413.562	5.951	30	20	HKED	
Cc1cncc(N(Cc2ccccc2Br)C(=O)c2cccc(CC#N)c2)c1	441430564	RXHUIYFFPDDTLN-UHFFFAOYSA-N	420.310	5.066	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1	441530507	QZZDBTDNQDYELN-KRWDZBQOSA-N	400.507	5.433	30	20	HKED	
C[C@H](c1ccco1)N(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	444381849	JHCRLYWLTLFLRQ-IIBYNOLFSA-N	419.912	6.346	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2ccco2)cc1F	447981431	YSUQMLNPJSINCR-HNNXBMFYSA-N	409.486	5.802	30	20	HKED	
N#Cc1ccc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)c(F)c1	448120632	YYFXNPYMAZBQGP-SDQBBNPISA-N	406.360	5.341	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	460418046	HFXRIQBILCRBLC-OAQYLSRUSA-N	402.494	5.132	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@H]1C	460955530	YBTMBVJUHRXFBJ-FZKQIMNGSA-N	407.345	5.136	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccccc2)ns1)c1nc(-c2ccccc2)cs1	462113014	QVGNVULRRKORMA-UHFFFAOYSA-N	403.532	5.766	30	20	HKED	
N#Cc1ccc(NC(=O)CNc2ccc(Oc3ccc(Cl)cn3)cc2)cc1Cl	462192203	PGWWAYSAAWQZHD-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	464226907	LABMJLZFRUUBNJ-INIZCTEOSA-N	418.566	5.460	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1	464369554	RXUXEAFALOTVJZ-IBGZPJMESA-N	413.521	5.095	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccccc1	466611764	VOEXSTBJJZWULE-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C	468167122	DTFQBUGHMVFEBF-LJQANCHMSA-N	421.541	5.052	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccco1	468656680	YUMYBROYGWTMPE-HNNXBMFYSA-N	407.499	5.244	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3CC3CCCCC3)ccc21	470541406	HSDIUXNJLZDNLZ-JOCHJYFZSA-N	422.573	5.236	30	20	HKED	
C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1c1cccc(F)c1	472053848	RHPZWIBRVQXPQX-WAIKUNEKSA-N	401.441	5.108	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccnc(OCC(F)(F)F)c1	475571439	MJIPLBNJSZTCTN-UHFFFAOYSA-N	407.436	5.196	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)NCc1ccccc1OC1CCCC1	476369600	MBURDLCECHKDKD-GOSISDBHSA-N	423.582	5.131	30	20	HKED	
COc1ccc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Cl	479249263	HSIWNKORBZSDON-AWEZNQCLSA-N	420.987	5.472	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	480257625	CVKFGTNQCGHPHR-MGPUTAFESA-N	405.889	5.012	30	20	HKED	
CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	482125382	UXYIWLBDOMZEAW-HXUWFJFHSA-N	421.884	5.504	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2F)n1	482216559	WBIBUBFPJHAMDJ-INIZCTEOSA-N	408.502	5.275	30	20	HKED	
O=C(N[C@H](C1CCCCC1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	482279846	WWAGABVPONYBCK-SNVBAGLBSA-N	414.312	5.024	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482411518	JLFVNUWECYTDML-JDNHERCYSA-N	408.317	5.249	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1Br	486329692	ZHPWGELZUCYVND-FXAWDEMLSA-N	412.331	5.370	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1	487697654	AKWUIPKXYVXPLZ-UHFFFAOYSA-N	402.306	5.359	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)sc2c1CCCC2	494111081	DIKISIDYPOPIHB-CABCVRRESA-N	401.329	5.003	30	20	HKED	
COc1ccc(-c2nc(CSCc3ccc(C#N)cc3OC)cs2)c(OC)c1	500867963	OWZVOENONHMSGW-UHFFFAOYSA-N	412.536	5.141	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1cc2sc(Nc3ccccc3)nc2s1	502530139	XATGXJXXTQYKNU-UHFFFAOYSA-N	408.508	5.250	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC)c1ccccc1OC(F)F	502630826	OLENHQIWHFDZRH-LJQANCHMSA-N	401.457	5.233	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2)cc1	503259536	LPTJFEPEUUZBAZ-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c(F)c(F)cc(F)c1F	505408361	KSZXSWSKFDIJKE-CYBMUJFWSA-N	419.218	5.295	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	505449682	SJVWGULDESWSIJ-HNNXBMFYSA-N	418.305	5.371	30	20	HKED	
N#C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1	505977919	XFLOGVCTBKVUBN-CJNGLKHVSA-N	401.215	5.410	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2cccs2)cc1	508247402	HHEJXDFONZGUJI-OAHLLOKOSA-N	407.495	5.646	30	20	HKED	
O=C(Nc1cccc(OCC(F)(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509736598	SFRXPWGXCZFLJS-HNNXBMFYSA-N	424.316	5.582	30	20	HKED	
O=C(CC(F)(F)F)Nc1ccc(NCc2ccc(OCC(F)(F)F)c(F)c2)cc1	509979489	MWKJDYCVQUPDCR-UHFFFAOYSA-N	424.316	5.270	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCOc1ccc(F)cc1	510859371	JXFYFLTVTFMLDJ-UHFFFAOYSA-N	419.456	5.341	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1	510861424	YUCPPQPYUQQJTB-MSOLQXFVSA-N	402.416	5.363	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)sc2C)cc1	513192105	ZMKGNRSPLWUSRT-KRWDZBQOSA-N	416.424	5.636	30	20	HKED	
CCN(CCc1nccs1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	513842682	MTOITPYLCWRFRD-UHFFFAOYSA-N	411.914	5.165	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(F)ccc1Br	515451742	KTVPDNFVMZRGLY-UHFFFAOYSA-N	401.260	5.441	30	20	HKED	
C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2cccs2)no1	515517960	MVGIGOQPPJKSFU-HNNXBMFYSA-N	402.479	5.422	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1	518266247	PNUXFXDVGURWTL-FQEVSTJZSA-N	400.522	5.775	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3SCCC#N)c2)c1	518648363	AHLCVOVIQUYEDN-UHFFFAOYSA-N	416.546	5.761	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1	521258474	XVVUMIODZMQSPI-FQEVSTJZSA-N	415.562	6.173	30	20	HKED	
CCCCN1CCCC[C@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	522205397	PELCRPZOQWUTET-QFIPXVFZSA-N	421.610	5.235	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1C	523528009	CZLOLVXHSGQNRM-VQTJNVASSA-N	424.426	5.122	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H]1c1nc2ccccc2s1	523590825	FMJTUQODNYNCDI-JOCHJYFZSA-N	424.529	5.460	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)on1	523947803	FAJVWSDNRMDGRS-IBGZPJMESA-N	407.857	5.278	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1	532504856	LZLHIWFCZYGISP-GOSISDBHSA-N	400.478	5.068	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)CC1CCCCC1	532975536	GOXXCPXYOGARNL-UHFFFAOYSA-N	401.551	5.535	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(-c2ccccn2)ccc1Cl	535097247	XMYYXVYNMGESRM-UHFFFAOYSA-N	414.814	5.202	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cnc([C@@H]2CCCO2)s1	536324685	MJPAUSGTSPPJLQ-IBGZPJMESA-N	423.925	5.367	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)c1ccccc1	538325130	QPZXMSYKLURLPY-AVRDEDQJSA-N	409.599	5.223	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](Cc3ccccc3Cl)c3ccccc3)o2)c1	539310985	VNYFYIAEIVTPIX-JOCHJYFZSA-N	414.896	5.335	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	539354860	PCCVUTRNAJIPRO-INIZCTEOSA-N	424.309	5.397	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1	540722174	PEAOMLSOVFPYLG-CQSZACIVSA-N	405.498	5.304	30	20	HKED	
N#CCc1ccc(CSCc2nc(-c3ccc(Br)s3)no2)cc1	541295853	JGQRFEXFZXMWFL-UHFFFAOYSA-N	406.330	5.060	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCCC(=O)Nc3sccc3C#N)s2)cc1	541662017	GQCGIAPNRTUGCW-AWEZNQCLSA-N	410.568	5.040	30	20	HKED	
C[C@@H](CN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nccs1	543335771	MUKKYSCIDNSZGJ-IRXDYDNUSA-N	404.539	5.188	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCC1	546127700	PBXGFBUBULWSLK-KRWDZBQOSA-N	409.555	5.190	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	549604215	JQPVSHQOQBXUNY-SECBINFHSA-N	402.203	5.112	30	20	HKED	
N#Cc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(Cl)c1	551418996	JMUQLMLFTTUEFL-FQEVSTJZSA-N	408.851	5.488	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	555594141	UDDRSVDXTPEHAY-UHFFFAOYSA-N	415.337	5.042	30	20	HKED	
COc1ccc([C@H](CCC#N)NCc2ccc(-c3nc4ccccc4s3)o2)cc1	562593394	KXDVHEZVZXDIGD-IBGZPJMESA-N	403.507	5.700	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)C2(c3ccccc3)CC2)nnc1-c1ccc(F)cc1	563763692	YWMVLWGNPCQSRK-INIZCTEOSA-N	407.514	5.052	30	20	HKED	
CSCc1cccnc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	571967476	DBUCWEZQPXYHPW-UHFFFAOYSA-N	411.474	5.221	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1Cc2ccccc2-c2ccccc2C1	579895949	WMQHUTGODFCCLF-UHFFFAOYSA-N	422.532	5.368	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)CC3	604461868	LOJZOKFGYVWLST-UHFFFAOYSA-N	422.488	5.731	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1F	608847611	STYQNUGFRUZGOO-MRXNPFEDSA-N	401.441	5.082	30	20	HKED	
CCCN1Cc2cccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c2C1	608981571	BUJZXWHCYLQPEZ-MRXNPFEDSA-N	422.598	5.053	30	20	HKED	
Cc1nc(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)sc1SCC#N	609101777	CPYYSUWCNUMPQD-INIZCTEOSA-N	423.563	5.064	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cs1	609377256	SHGASVLIRNIBKS-CQSZACIVSA-N	409.536	5.323	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2SCCC#N)CC1=O	609378784	RZJASNNQYCLPHD-ZWKOTPCHSA-N	421.566	5.197	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(-c2ccncc2)cc1	610052648	LJOUDJIJVLYIDX-UHFFFAOYSA-N	421.525	5.701	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	610224388	OMCVQDHGVOQGFI-IBGZPJMESA-N	405.841	5.464	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1	610341480	VBOQOLNOMFLLGQ-IEBWSBKVSA-N	418.566	5.105	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1nnc(SCc2ccccc2)s1	615474308	LDGGECJCKLOHDG-UHFFFAOYSA-N	414.531	5.190	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@@](C)(C#N)C1	619537565	BEHSIARQAWMJDY-FQEVSTJZSA-N	406.313	5.538	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1Cl	619826793	JPLFMYWENYRHOO-UHFFFAOYSA-N	407.823	5.105	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)c1nc2ccc(OCC)cc2s1	620569229	WWKRJMLFWPQYDP-KRWDZBQOSA-N	410.539	5.209	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2C)c1	676472480	WSBBCAPFPKWJEA-MRXNPFEDSA-N	404.470	5.036	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	681402992	AVORIKGRQLRWJH-SKDRFNHKSA-N	404.301	5.535	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2ccccc2C)CC1	682777512	LNQLMRIDLQRBSA-UHFFFAOYSA-N	405.586	5.587	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1)C(F)(F)F	683689674	HOVDBKLLRQBTFC-CQSZACIVSA-N	406.404	5.765	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Oc2ccc(Oc3ccccn3)cc2)c1	726501339	SFDUDDNATBORFS-UHFFFAOYSA-N	412.401	5.137	30	20	HKED	
N#CCC[C@@H](C#N)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1	726851499	QZDVTTTZLRNWEK-SFHVURJKSA-N	406.942	5.787	30	20	HKED	
FC(F)(F)COc1ccc(NN=Cc2ccccc2OCc2ccncc2)cc1	727262416	PHYFBFWGGLEADD-UHFFFAOYSA-N	401.388	5.048	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(/Br)c2ncc(-c3ccc(F)cc3)o2)cc1	728699659	HNQWSKMRDKNOAU-HVOBPNNYSA-N	413.246	5.665	30	20	HKED	
C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1csc2ccccc12	729957701	KDWKLCYIPUXGBX-OAHLLOKOSA-N	402.475	5.436	30	20	HKED	
N#C[C@@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc2cc(F)ccc2s1	730421212	JIPOEETVGVPWAL-IBGZPJMESA-N	416.477	5.281	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)Nc1cccc(Br)c1	730954736	JGNSYHFLPOTZDL-GFCCVEGCSA-N	406.374	5.510	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2)nc1	733234506	HQMRPYCLWZOGLC-HSZRJFAPSA-N	401.466	5.096	30	20	HKED	
O=C(/C=C\c1ccc(-c2c(F)cccc2F)o1)c1ccc(N2CCC(O)CC2)cc1	734368661	WUZVFCFNNZPUDL-NTMALXAHSA-N	409.432	5.082	30	20	HKED	
FC(F)(F)c1cccc(NC(=S)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1	735247915	ZJSUOFZEAGPHQT-UHFFFAOYSA-N	410.305	5.219	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2c(Cl)nc3ccccn23)ccc1OCC(F)(F)F	737447749	AWQRPCNBIIOWRP-SOFGYWHQSA-N	424.806	5.224	30	20	HKED	
COCCCC(=NNc1cccc(C(F)(F)F)n1)c1ccc(Br)cc1	739421295	IMYHBOHJNZBZHC-UHFFFAOYSA-N	416.241	5.106	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccnc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	741111234	IRASWYFJNADYHP-WRLNGNIRSA-N	423.419	5.753	30	20	HKED	
CC(=NNc1c(F)cc(F)cc1Br)c1sc(-c2cccnc2)nc1C	741772315	RYSWWMBTDZVPTJ-UHFFFAOYSA-N	423.286	5.390	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)ccc1OC	745818847	FPFYYZPSEZCLSJ-FCHUYYIVSA-N	421.541	5.121	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)n1	747196959	RFESXPZCZOQVHO-NSHDSACASA-N	416.856	5.012	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC	749969435	GOBOTRMEBHSMND-PVGUKEHMSA-N	424.547	5.150	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1OCC#N	760784185	RFHPYUOMTRICPS-UHFFFAOYSA-N	420.227	5.251	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)Nc2ccc(F)cc2OCC#N)n1	760791443	CLJUNKIGHUENMN-UHFFFAOYSA-N	413.499	5.038	30	20	HKED	
O=C(/C=C\c1cccc(-c2cccnc2)c1)c1ccc(N2CCOCC2)cc1Cl	762438014	JUZOEURHNZTTJG-TWGQIWQCSA-N	404.897	5.135	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c(F)cccc1F	764563257	XJUTVOYFFVTRAA-ONGXEEELSA-N	410.367	5.573	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc([C@H]3CCCOC3)c2)cc1	766622273	FKHCLQZWLNSZHF-JWNTYJGQSA-N	404.510	5.055	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C	773037308	NZAKLHYBRCLJNI-OAQYLSRUSA-N	421.463	5.306	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1)C(F)(F)F	774056778	YSGWEGPLUZENCG-IBGZPJMESA-N	424.422	5.641	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	775488603	PIMINMICBOEYEW-CDHQVMDDSA-N	401.432	5.537	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](CC)c2cc(F)cc(Br)c2)c1	776163685	CLLCDTSKFKROQI-ICSRJNTNSA-N	405.311	5.510	30	20	HKED	
N#C[C@H](NC(=O)c1c(C(F)(F)F)ccnc1Cl)c1cccc(Cl)c1Cl	776880440	AGTWGXVPEWCCKA-JTQLQIEISA-N	408.594	5.055	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CON=Cc2c(C)nc3sccn23)on1	778033868	XNTFWRIDKCAOSQ-UHFFFAOYSA-N	418.478	5.072	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1	780535493	ONIQWQOMHRVMIC-INIZCTEOSA-N	418.522	5.246	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1COCc1ccccc1	780672149	ZPGACOGAPPLWJA-LJQANCHMSA-N	415.493	5.016	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC[C@H](C#N)Cc1cccs1	781826771	QRZALTWULASGQT-LBPRGKRZSA-N	421.305	5.558	30	20	HKED	
Cc1ccc(-c2ncc(C=Nn3c(S)nnc3CSc3ccccc3)s2)cc1	782245108	MTGLTYUTSBNSEV-UHFFFAOYSA-N	423.592	5.173	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3sc4ccccc4c3Cl)n2)c(Cl)c1	782522227	AXSBRQHDWUXNCG-UHFFFAOYSA-N	413.289	5.518	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cnn(Cc3ccccc3)c2Cl)S1	789131474	YFFJRSPGFZAZKX-WQRHYEAKSA-N	422.941	5.093	30	20	HKED	
Cc1ccccc1[C@@H](C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)CC(C)C	792923809	CUFUSVFPXDRGDJ-DENIHFKCSA-N	412.537	5.251	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc3cc(Br)ccc3o2)cc1	794739049	OSJXCAPBFBMBCZ-LWHXSLQUSA-N	403.663	5.618	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)c2)c1	796749992	XTAIQBYUOWLWTQ-SFHVURJKSA-N	410.882	5.038	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCCCCC2)cc1	801776020	FZRNIMNGHHKFSC-ZEQRLZLVSA-N	402.542	5.371	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3ccc(Br)cc3o2)cc1	812248194	GMLCXQUQHFZLKI-UXYFDLPDSA-N	403.663	5.618	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(C(C)C)n(Cc2ccco2)c1=S	813036600	LQGLZIIKZZRKRC-UHFFFAOYSA-N	423.007	5.539	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2C)cc1	915086911	YFKSXYWTNOVEFK-XMMPIXPASA-N	406.489	5.397	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1	915281145	QQROQEOTGQCXBT-UHFFFAOYSA-N	400.482	5.091	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915350255	ONHBQAHMWJNMSV-VXKWHMMOSA-N	401.535	5.945	30	20	HKED	
O=C1Nc2ccc(-c3ccccc3)cc2C1=NNc1nc(Cl)c(Cl)cc1Cl	915946958	XGOUGMAXYOVKBH-UHFFFAOYSA-N	417.683	5.477	30	20	HKED	
Cn1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(Cl)c1Cl	916449836	PIFHJKOQEXRXLA-UHFFFAOYSA-N	414.292	5.229	30	20	HKED	
CC(C)c1ccc(Nc2nnc(SCC(=O)[C@H](C#N)c3ccccc3)s2)cc1	916623040	YPKAWZMGPKJIAY-GOSISDBHSA-N	408.552	5.374	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1	916912334	YWZKZZHLXIQTIO-SFHVURJKSA-N	423.925	5.296	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2c(Cl)c3ccccc3n2C)cc1	916948479	GWVXBSTZWUCDJW-KDOFPFPSSA-N	407.901	5.306	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917044915	VTLBPBBUZSONFY-AWEZNQCLSA-N	424.444	5.813	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1	1786464883	LILILUGGZFJYFM-APWZRJJASA-N	404.501	5.158	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CC3)CCC2)cc1	1791589064	DTMRGRXKXWCMON-UHFFFAOYSA-N	408.929	5.082	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2cc(Br)ccc2F)S1	7165114	PLHDBPLQGSRAJF-OQLLNIDSSA-N	405.292	5.097	30	20	HKED	
Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1C	11262888	AWHCNXJOQKTSRT-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccoc1C	14063897	UZCYDSGSDPQMEX-UHFFFAOYSA-N	423.325	5.070	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)nnc1C1CC1	20972579	CIDMTNWFYPRTLC-QFIPXVFZSA-N	403.551	5.675	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)c2)cc1	65412357	XIKLKDWEASCUSE-ZEQRLZLVSA-N	415.468	5.148	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3cc4cccc(OC)c4o3)cc2c1C	71886918	DAPWXCLIDOQSMI-BQYQJAHWSA-N	407.447	5.042	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)c(C#N)c3)cc(-c3ccco3)nc21	105401186	BPYJUXKAEMOCRG-UHFFFAOYSA-N	405.845	5.050	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1	236666292	KCLHFOXLLZPOAC-UHFFFAOYSA-N	412.493	5.057	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(F)cc2C(F)(F)F)sc2c1-c1ccccc1CC2	428995620	CQAMWYXYJURQAG-UHFFFAOYSA-N	416.399	5.796	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cccc(SCC#N)c3)s2)cc1	430698600	FVFPYMKWPKYQJY-OAHLLOKOSA-N	407.564	5.534	30	20	HKED	
COc1cc(NC(=O)CCS[C@H](C)c2ccc(C#N)cc2)c(OC)cc1Cl	437278426	SXMCWKYSZLSATK-CYBMUJFWSA-N	404.919	5.052	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	437786409	CEQFTHREQJRHDB-VXKWHMMOSA-N	416.456	5.317	30	20	HKED	
COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	438060685	XGTZMEXWZLAOPJ-UYAOXDASSA-N	423.582	5.576	30	20	HKED	
N#CCC[C@@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)c1ccccc1	440051254	ZXTPVTIGYDSCNS-HSZRJFAPSA-N	410.473	5.787	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1ccc(NC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	440818915	KWHLFTGMHCATML-FQEVSTJZSA-N	419.447	5.171	30	20	HKED	
C=CCn1c(SCc2nc(C)sc2C)nnc1-c1ccc(Br)cc1	443431548	RPQDWDWRORWGHZ-UHFFFAOYSA-N	421.389	5.259	30	20	HKED	
CC(=O)N(c1nc(CN2CCCC(C)(C)[C@@H]2C#N)cs1)c1c(C)cc(C)cc1C	444726922	CWWSBBXGUMDHEH-FQEVSTJZSA-N	410.587	5.267	30	20	HKED	
CC(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1C	447478038	AOBLFRQEVNFKGS-UHFFFAOYSA-N	402.425	5.040	30	20	HKED	
CC[C@@H](N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1)c1ccc(C#N)cc1	447537664	XPHKRBITPBBKSI-DNQXCXABSA-N	400.522	5.600	30	20	HKED	
N#Cc1ccc(C2=CCN(c3nnc(-c4ccccc4)n3Cc3cccs3)CC2)cc1	461025456	QZZMTVUHFNKJAZ-UHFFFAOYSA-N	423.545	5.220	30	20	HKED	
C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccs1	461324826	PNGNCTKBAYDNES-LBPRGKRZSA-N	406.342	5.100	30	20	HKED	
Cc1nc(NC(=O)[C@H](C)c2cccc(C#N)c2)sc1Cc1ccc(F)c(F)c1F	462325357	GHMKOZLUUBPHFG-LLVKDONJSA-N	415.440	5.074	30	20	HKED	
CCCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](c1ccc(F)cc1)c1cccnc1	464053045	RAHGQRXXIWVPLZ-HOYKHHGWSA-N	401.485	5.224	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	471977380	LUEXWXFJOMZJGB-RHSMWYFYSA-N	419.472	5.317	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCCc2cccnc21	475940087	QBIUAADWQFRNFJ-OAQYLSRUSA-N	415.493	5.055	30	20	HKED	
N#CC[C@H](CC(=O)N1CC=C(c2cccc(Br)c2)CC1)c1ccccc1	476687716	KJWJDORGFFTPOP-HXUWFJFHSA-N	409.327	5.152	30	20	HKED	
C[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H]1c1ccccc1	480388162	XQGUFNCNMSRDOG-DFBJGRDBSA-N	411.505	5.557	30	20	HKED	
CN(C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C1CCC(F)(F)CC1	483487335	JXMGZDHYUPTBLG-UHFFFAOYSA-N	416.337	5.391	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccco1	484502473	KJNKZAAYBKWAAA-GFCCVEGCSA-N	413.503	5.235	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1	485453594	KQNFJSXDUHSBHZ-UHFFFAOYSA-N	402.519	5.494	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1	486248009	BWFAVJMDKSASGB-UHFFFAOYSA-N	402.519	5.147	30	20	HKED	
C=CCC[C@H](NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(C(F)(F)F)cc1	486924026	BJCOGMPYMWFNMU-MJJKQBDBSA-N	421.503	5.550	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OC)n2)nnc1-c1cccc(Cl)c1	489632229	JIPRKDHAUQXWFD-LBPRGKRZSA-N	406.964	5.241	30	20	HKED	
N#Cc1ccc(Br)c(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c1	492697142	QWRKWCUUBMMWGF-FQEVSTJZSA-N	412.718	5.248	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1	494020363	MUHMDASQQKBFLK-WOJBJXKFSA-N	421.294	5.251	30	20	HKED	
COc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C	494832485	KEBPGHWNZXTRQN-UHFFFAOYSA-N	424.444	5.046	30	20	HKED	
COc1cc(C#N)ccc1CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1	499316597	MPEUIKSTMFPBIE-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	499769777	AHYRLTRZGABQBG-UHFFFAOYSA-N	402.519	5.354	30	20	HKED	
Cc1cc(NCc2cccc(OCc3ccccc3C#N)c2)ccc1C(=O)NC(C)C	500772855	NMQGBTWDZYZDSQ-UHFFFAOYSA-N	413.521	5.196	30	20	HKED	
CCCCCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1OC	503122475	PQYLUTXEDRZFLJ-MSOLQXFVSA-N	409.530	5.257	30	20	HKED	
COc1cc(C(=O)N(CCC#N)CCC(C)C)ccc1OCc1ccccc1Cl	505207172	LQIGPCNUSQCVHI-UHFFFAOYSA-N	414.933	5.330	30	20	HKED	
N#Cc1c(F)cccc1Sc1nnc(COc2ccccc2F)n1-c1ccccc1	506805376	ICRZMCMWRDUXAT-UHFFFAOYSA-N	420.444	5.147	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2coc3ccccc23)cc1	512902539	PIXUIVHFZNRRSA-UHFFFAOYSA-N	413.452	5.356	30	20	HKED	
CC(C)c1nc(C2CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)no1	513035624	IBIWPPLIKGXRIT-UHFFFAOYSA-N	416.525	5.023	30	20	HKED	
C[C@@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1c(F)cncc1F	513039649	CBTTVBBWQMYBQF-PSLIRLAXSA-N	414.296	5.083	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccco2)Cc2ccco2)c1	513123472	LNSWHQMQBJFWRQ-UHFFFAOYSA-N	412.445	5.166	30	20	HKED	
Cc1cc(C)cc(OCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	515157212	MWILWRHMQMKPQC-UHFFFAOYSA-N	401.466	5.078	30	20	HKED	
C=CCn1c(C2CCCC2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1	516666694	AFOSJQPWHIMPKG-UHFFFAOYSA-N	411.937	5.300	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NCc1cn(CCC#N)nc1-c1ccccc1	516997834	KDMZNNCXWAXAIM-UHFFFAOYSA-N	413.569	5.765	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)oc12	518169912	VGPUYQMXZDODAT-CVEARBPZSA-N	423.538	5.966	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1	518256572	GJNFENQSFZKLFS-SJORKVTESA-N	415.584	5.355	30	20	HKED	
CCOc1ccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	518257056	ZARHILRUFBYMSQ-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	518746563	HVNNKDZAWJSJTA-KRWDZBQOSA-N	416.550	5.438	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1	518850267	VKHVPBFPHUEFDP-HHHXNRCGSA-N	422.484	5.005	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](CN2CCCCCC2)C1	519450325	AHXDEXORAGDYDR-PMACEKPBSA-N	414.619	5.058	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccc(C(F)(F)F)c1	521352773	OLXSSJWPZHJNML-MRXNPFEDSA-N	405.763	5.008	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCOc2c(Cl)cccc21	521748079	KYAAOSXDMNNSCN-XJKSGUPXSA-N	401.919	5.237	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	523003153	KGYOJPMAVYHIBO-HSZRJFAPSA-N	417.578	5.832	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)c2)cc1	523131239	PXTBAUXRCHEIDK-UHFFFAOYSA-N	418.500	5.713	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c2)oc1C	523158186	PXYGSAUFXAELJZ-UHFFFAOYSA-N	408.461	5.826	30	20	HKED	
CN(CCc1cccc2ccccc12)C(=O)c1occc1COc1cccc(C#N)c1	523279588	AJNDVRYCPIQSPB-UHFFFAOYSA-N	410.473	5.198	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1)C(C)C	523983583	MVHNQVNDFZNDCL-KRWDZBQOSA-N	424.570	5.482	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2F)c1	530861836	UYQDCVQOQXBBFR-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
N#Cc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1	532019201	LUSMQHQWKMWTRF-UHFFFAOYSA-N	416.550	5.221	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc2c1CN(c1nccs1)C2)c1ccccc1	534759844	CRZDSGVZNKFPHR-FQEVSTJZSA-N	404.539	5.492	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)cc1OC	535876906	WYYVOQCDAZNGGC-UHFFFAOYSA-N	407.297	5.329	30	20	HKED	
O[C@@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1	538174741	FSQVIRXFNFKVQS-SJORKVTESA-N	409.345	5.031	30	20	HKED	
C[C@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(C#N)cc1	538395795	FYCIYPVGSOWJTC-UPCLLVRISA-N	404.897	5.423	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1OCC(F)(F)F	541445134	KIMYTDPEEPVDHU-UHFFFAOYSA-N	403.404	5.004	30	20	HKED	
N#CCC1CCN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CC1	543834395	XAUOHFIEERWHQO-UHFFFAOYSA-N	419.377	6.052	30	20	HKED	
Cc1ccc(-c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)c(OC2CCCC2)c1	556302074	ZBLGISZROYVCPS-UHFFFAOYSA-N	414.387	5.319	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1ccc(Cl)c(Cl)c1	558754769	IWGLKTRRDFNSFE-UHFFFAOYSA-N	405.668	5.025	30	20	HKED	
COc1ccc([C@@H](CCC#N)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc1	560266560	IOTOKWYNQDDVHQ-GOSISDBHSA-N	403.498	5.329	30	20	HKED	
N#Cc1cccc(C2(NCc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)CC2)c1	560287009	ABMWXJJDFHLVHY-UHFFFAOYSA-N	408.480	5.329	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Cl)c(Br)c1	565850388	LJCAWAQIFWTCSQ-UHFFFAOYSA-N	410.743	5.098	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)N[C@@H]2CCc3ccc(C#N)cc32)cc1OC	568524798	LFRVVAKKFKKXME-JWQCQUIFSA-N	412.533	5.445	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	569387508	YBCQOVPAGLCFJZ-HNNXBMFYSA-N	406.882	5.339	30	20	HKED	
CCOc1c(Cl)cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC	573231671	OPDLXMBWYGXWOE-UHFFFAOYSA-N	409.873	5.418	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1	577664521	XJLYVGPQTWDVHA-OAQYLSRUSA-N	408.933	5.176	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2nncc3ccccc23)n(C2CCCCC2)c1C	603460483	OELZCQNJSWOEGA-UHFFFAOYSA-N	419.554	5.156	30	20	HKED	
Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)s1	603672776	RCXMWNLYJZEKMZ-UHFFFAOYSA-N	421.469	5.555	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(Oc2ccc(F)cc2F)CC1	603866635	GCOQFRKWEDQKHF-UHFFFAOYSA-N	417.818	5.225	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1	604569102	SZWHOAZPPLVLLL-UHFFFAOYSA-N	414.417	5.366	30	20	HKED	
C[C@H](NC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1	609221322	RXLJZKJIQQTPAF-INIZCTEOSA-N	405.885	5.293	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cc(Br)cs1	609398204	KKVXVSFFZRKMDU-GFCCVEGCSA-N	424.389	5.426	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1c[nH]c2cc(Cl)ccc12	609439026	SQLXMZZXYCZENI-AWEZNQCLSA-N	412.946	5.580	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609909719	RNPSGQVMUNNJDN-GCJKJVERSA-N	414.480	5.702	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccs1	610016363	VOVVFKUXOGVQPF-KRWDZBQOSA-N	412.902	5.733	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C3CCCC3)CC2)cc1	610321862	DMYWCGAQABMUCZ-UHFFFAOYSA-N	417.553	5.766	30	20	HKED	
C[C@@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1cccc(C#N)c1	610345288	ZUXGKAOGPSERRO-PXAZEXFGSA-N	402.338	5.281	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCC[C@@H](C(F)(F)F)C1	611829162	KNEKHUURUNNXND-RNWYCLNJSA-N	413.324	5.381	30	20	HKED	
CCn1c(C)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C	613346656	MWZBMUDWKLTPHU-INIZCTEOSA-N	418.349	6.045	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)c1C#N	619144620	SSGNZUVSGVDCQC-UHFFFAOYSA-N	412.565	5.298	30	20	HKED	
CC(C)Cn1ccc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cccc21	683689819	OWIOZYFTJFAVST-KRWDZBQOSA-N	406.436	5.532	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(Br)c3)n2)cc1	726322683	WALAMIZCWPQPPE-KRWDZBQOSA-N	411.324	5.300	30	20	HKED	
O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1ccc(OCc2ccc(F)cc2)cc1	727685651	VPRYITKZWZQKDP-UUILKARUSA-N	417.415	5.021	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1	728200593	KKUVWVRFYHNQJU-UHFFFAOYSA-N	423.875	5.289	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@@H](c2ccncc2)c2ccc(F)cc2)cc1OC	728415559	JOAIFDJNPPXRIE-PSNUSJGWSA-N	419.452	5.140	30	20	HKED	
CC(C)n1ncc2c(C(=O)OCc3ccc(F)cc3C#N)cc(-c3cccs3)nc21	728617813	PZYWLYARKIJYMF-UHFFFAOYSA-N	420.469	5.108	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	729319714	NYNOHFYDDJUZAE-OAQYLSRUSA-N	403.869	5.228	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)CCCCc2ccc(C(C)(C)C)cc2)c1OC	729431743	GIQQWJZXMMKFAD-NRFANRHFSA-N	408.542	5.095	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F	731348995	FQUIZZUCXVPVFY-VNDWYCCKSA-N	406.429	5.631	30	20	HKED	
N#CCc1cccc(C(=O)O[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c1	731993457	AWDYZPIVSRBUHX-INIZCTEOSA-N	412.205	5.366	30	20	HKED	
Cc1nc(COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc12	732377927	ZLBQNRAEIAWOEC-UHFFFAOYSA-N	409.445	5.154	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1ccc(Cl)cc1Br	733219087	ROVOLYNBYJIYPL-UHFFFAOYSA-N	409.736	5.289	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(NCCc2ccccc2)s1	735230215	GZBHDQAZQNXDGT-UHFFFAOYSA-N	416.959	5.041	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccncc1	740480811	HPFAMYPBVYFLBW-GAJHUEQPSA-N	405.929	6.080	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc(CC(F)(F)F)c2)cc1	743092737	CFZXQJBHVYDHQY-OAQYLSRUSA-N	409.411	6.091	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Br)c2C)cc1	744027702	BLERJUDLDSFCJN-SFHVURJKSA-N	413.315	5.061	30	20	HKED	
CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1sc(-c2cccnc2)nc1C	747602867	RVWBHTHBYBRBQT-UHFFFAOYSA-N	411.840	5.417	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1	748947100	FYPCEIDGCUKVBP-QFIPXVFZSA-N	423.875	5.139	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccsc1	749105730	XMZXEYLKZBTMOJ-GORDUTHDSA-N	404.241	5.575	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCc3cc(Cl)ccc3Br)[nH]c12	751173376	UGJYXWPALYOMFL-AWEZNQCLSA-N	416.706	5.096	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c(C)n1-c1ccc(C#N)cc1	755704223	IXBORVWTGBZNBI-UHFFFAOYSA-N	423.476	5.146	30	20	HKED	
C#CCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCCC#C)c(C)c2)cc1C	758527434	MFWGQSVXSWQPBV-UHFFFAOYSA-N	400.522	5.454	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNCc1cnc2ccccc2c1	764777458	BXOWKNGRLQQPCQ-UHFFFAOYSA-N	424.335	5.219	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1=S	765000240	HQKGVWADGUINHL-XLIONFOSSA-N	423.561	5.027	30	20	HKED	
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	766037115	JDCXPJAJBLOBOR-QMHKHESXSA-N	419.456	5.123	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)c1	767606708	DGBAQIHXXRAHRV-QGZVFWFLSA-N	405.523	5.290	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c(Cl)c1	768996298	SUKBUPAUYWRUJM-HXUWFJFHSA-N	411.914	5.041	30	20	HKED	
N#C[C@@H](C(=O)[C@H](F)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	769296759	XRKNEIVBKZPMPS-WMLDXEAASA-N	405.281	6.004	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccco2)c1	769771683	RSETZLCMSBGZEW-ZRDIBKRKSA-N	400.434	5.046	30	20	HKED	
C=CC[C@H](NC(=O)N1Cc2cccc(Br)c2C[C@H]1CC)c1ccncc1	770625323	KPKVSLYESVMWSF-XLIONFOSSA-N	414.347	5.008	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771100140	WPGGBGHLJXLXHX-QWNKOJSDSA-N	424.497	5.188	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)OC[C@H](C#N)Cc3cccs3)c12	780469791	GAOHBMWPIODXKT-AWEZNQCLSA-N	421.478	5.207	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1F	780522518	NKBMCWKTDXLKNF-OAHLLOKOSA-N	421.428	5.561	30	20	HKED	
CC(=O)Nc1ccc(NC(=S)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	782206842	XVOUVGKQYQRXJG-MRXNPFEDSA-N	414.534	5.231	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](O)c1ccccc1	791753268	ZQCVWBIVBKRHTO-DSNGMDLFSA-N	413.521	5.366	30	20	HKED	
C[C@H](Cn1ncc2ccccc21)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	793122475	AWDBDHAWTPWOJZ-KDOFPFPSSA-N	420.925	5.326	30	20	HKED	
Cc1ccc(NC(=O)[C@H](OC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)cc1	795988629	ZJMOPJHNDKSWFS-RCZVLFRGSA-N	412.489	5.306	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)c1	796742572	BXSPUYWNTOMNGJ-MRXNPFEDSA-N	410.882	5.038	30	20	HKED	
Cc1c(C(=O)OCc2ccccc2NC(=O)c2ccco2)sc2ccc(C#N)cc12	796922355	MBTPCGWHDUCDML-UHFFFAOYSA-N	416.458	5.284	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C(C)(C)c2ccccc2Br)s1	798865509	XCJJWSOQJPTPOS-GFCCVEGCSA-N	405.361	5.357	30	20	HKED	
CC(C)(C(=O)OC[C@@H](C#N)Cc1cccs1)c1csc(-c2cccs2)n1	800402670	NLIOYKGRZFWTLN-CYBMUJFWSA-N	402.566	5.136	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)OCc2ccc(C#N)cc2Br)cc1	801907979	ORHACMRLAXMZBO-AWEZNQCLSA-N	414.299	5.006	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C	804463776	YCJBUSCFBOLLML-IBGZPJMESA-N	406.526	5.018	30	20	HKED	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	815010074	GVGIMEDXXACUDA-MBSDFSHPSA-N	406.489	5.103	30	20	HKED	
Cc1csc(SCc2c(C(=O)NCC#Cc3ccccc3)oc3ccccc23)n1	818076768	LMAGIIAWFDTHPC-UHFFFAOYSA-N	418.543	5.272	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(C)c1	839407252	TYFMDMPYEBDNIU-UHFFFAOYSA-O	401.555	5.326	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(SC(F)F)cc1	915860237	PDWORRBYOSUAJV-UHFFFAOYSA-N	411.433	5.621	30	20	HKED	
CC(=O)N(c1nc(C=NNc2ccccc2Cl)cs1)c1ccc(F)cc1F	916262427	FNVPKCWFXZSWSV-UHFFFAOYSA-N	406.845	5.205	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC1(Cl)Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996743	PLWTWHIRVYMEMK-NXEZZACHSA-N	406.121	5.487	30	20	HKED	
Cc1cccc(CSCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917044887	VOKCTDIZSKRDDM-HNNXBMFYSA-N	420.481	5.733	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1=S	917477467	LQGSMKHUMFHVBM-QGZVFWFLSA-N	409.386	5.579	30	20	HKED	
CC(C)(C)c1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	920267946	LUQLYMVWVYREJC-FQEVSTJZSA-N	419.550	5.538	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccc(C)c(C)c2)c1=S	920486529	JAUKRNDRPXEUBQ-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
C=C(Br)CNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1	921043678	PFNXBEGZFNHAHF-UHFFFAOYSA-N	423.357	5.128	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccsc3)CCC2)cc1	1791727928	KIRGQXKUBHXLHF-UHFFFAOYSA-N	408.567	5.008	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816691844	LCGMNQLLECDLMF-TZIWHRDSSA-N	412.578	5.141	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2C)CC1	1825783640	LMLJELHZBSUJRE-RTWAWAEBSA-N	414.615	5.058	30	20	HKED	
O=C1C(c2nc3ccccc3s2)=C(OCc2ccccc2[N+](=O)[O-])c2ccccc21	1857776827	MLWDHCQSLIOTES-UHFFFAOYSA-N	414.442	5.486	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccco1	11309217	ZXVXQMAYQHLOET-LLVKDONJSA-N	423.325	5.150	30	20	HKED	
Cc1ccc(-c2csc3ncnc(SCC(=O)NC4(C#N)CCCCC4)c23)cc1	29842885	FSWBNDBWIZTNCH-UHFFFAOYSA-N	422.579	5.102	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1	41516773	WGLONJVUZBBMJZ-ZDUSSCGKSA-N	407.442	5.392	30	20	HKED	
C=CCN(C(=O)c1csc(-c2cc(Br)cs2)n1)c1ccccc1	58090996	QFLBPWLZQWGLMX-UHFFFAOYSA-N	405.342	5.467	30	20	HKED	
N#CCCCOc1cccc(NC(=O)COc2ccc3oc4ccccc4c3c2)c1	59770202	VANFCGIEAUNEJH-UHFFFAOYSA-N	400.434	5.286	30	20	HKED	
CN(CCc1ccc(F)cc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	65667163	ZCEUERJXLNOLQT-UHFFFAOYSA-N	404.510	5.304	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cc1	71801984	PSNXEYKVRNDIOA-HXUWFJFHSA-N	423.973	5.056	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1	303436948	AASRPDUMQMLQOE-GOTSBHOMSA-N	420.434	5.308	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1cccc(C)c1	303954298	ZXSZTOYVEFZLMV-QGZVFWFLSA-N	402.523	5.948	30	20	HKED	
CCOc1ccc(Oc2cc(CNC(=O)Nc3ccc(C#N)cc3Cl)ccn2)cc1	426154402	RCKIJKIHNKJJDE-UHFFFAOYSA-N	422.872	5.119	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(CCC#N)CC3CC3)cc2Cl)n1	429080447	YJUCQMDYZKEKSV-UHFFFAOYSA-N	406.964	5.414	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C(/Cc3ccccc3)c3nc(=O)cc[nH]3)c2)c1	432706599	LUZNXKUQUWKUMA-JLPGSUDCSA-N	419.484	5.004	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)o1	432980155	RTDFUUZOIYYSRS-UHFFFAOYSA-N	415.493	5.510	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1	438064296	JIFMBQTWWMABND-HUUCEWRRSA-N	413.547	5.252	30	20	HKED	
Cc1cc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)ccc1C#N	447299264	PFGNQPVXSSOZEL-UHFFFAOYSA-N	410.930	5.318	30	20	HKED	
CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)[C@@H](C)c1cccc(C#N)c1	462079999	JDFICZFTPLLHIQ-ZDUSSCGKSA-N	423.314	5.015	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SCC#N)c1ccc(Cl)c(Cl)c1	463193521	PEDUIEYULBLIAK-LBPRGKRZSA-N	411.379	6.042	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)cc1	463507698	RKIQBVIKHCHVLE-FQEVSTJZSA-N	413.521	5.398	30	20	HKED	
Cc1ncsc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	464303434	ZXRMDSBLKZZBQC-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
N#C[C@H](C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1cc(C(F)(F)F)ccn1	464426737	KLSTXYCCQWWSLO-INIZCTEOSA-N	415.802	5.669	30	20	HKED	
CC(C)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1	470775086	XUYORNGBFJONRK-QHCPKHFHSA-N	423.944	5.301	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	471272868	MSOFSQXJTKZZHY-GUYCJALGSA-N	421.394	5.081	30	20	HKED	
CC(C)(c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C(F)(F)F	473443101	STMREEYRFFJRSP-UHFFFAOYSA-N	416.443	5.082	30	20	HKED	
CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	475597768	AYIYHPCBKIHNTK-OXQOHEQNSA-N	412.917	5.324	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	482376278	MEHMLRKDLCVRBY-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc2)cc1	483191258	DXNBCNBYKIBLQB-OAQYLSRUSA-N	407.429	5.115	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)sc2nc(C(F)(F)F)ccc12	483229342	KNNRPCMJNCNJPH-LBPRGKRZSA-N	412.396	5.057	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	485470115	XIHGBHODXZLHHM-CYBMUJFWSA-N	412.502	5.460	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1	485742353	IDMICCALOUNYJU-UHFFFAOYSA-N	418.518	5.478	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1	499207396	DIQRRQQGICCJPM-UHFFFAOYSA-N	417.578	5.710	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(F)c(F)c(F)c3F)c2)cc1	501466069	IBEHVNNCOJECEB-UHFFFAOYSA-N	414.358	5.140	30	20	HKED	
C[C@@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Br)cc1	504015016	ZUZFHLBRNNCKAO-INIZCTEOSA-N	409.327	5.130	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)o1	504177578	VBGMENSJCLCMIB-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1c(Cl)cccc1Cl	505533502	QSMHDVLVCVISIR-HNNXBMFYSA-N	401.215	5.483	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2csc3ccccc23)cc1	511002504	SRGBGKAQSRCWID-UHFFFAOYSA-N	419.550	5.379	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(C(F)(F)F)cn1	513029414	LKXLLJHXOXSCAP-HNNXBMFYSA-N	417.774	5.431	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F	514849667	MISQIXARFRPZRZ-GFCCVEGCSA-N	402.869	5.436	30	20	HKED	
Cc1cccc(CSCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	515825490	LBRUFBVPPMSQGJ-UHFFFAOYSA-N	403.507	5.234	30	20	HKED	
COc1cccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1OC	516237319	FBDHPNZPDAOBLZ-UHFFFAOYSA-N	416.477	5.248	30	20	HKED	
Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	518117375	QEWXVPMLQJXWMP-UHFFFAOYSA-N	414.474	5.129	30	20	HKED	
CCN(C(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1	518148315	QTQOWKUCGPFIGF-OAHLLOKOSA-N	421.488	5.565	30	20	HKED	
COc1ccc(C(=O)CCCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	519124404	BWWMTHAZAJMABV-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2c(s1)CCOC2	519432908	GSXCIHZOFZJSNB-UHFFFAOYSA-N	412.458	5.098	30	20	HKED	
Cc1ccc(Cn2nccc2NCc2cccc(OCc3cccc(C#N)c3)c2)s1	520219925	OBRACPPMTBLKQQ-UHFFFAOYSA-N	414.534	5.364	30	20	HKED	
N#CCCN(C(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)c1ccccc1	521034992	DCKUSUWNXOFMMW-UHFFFAOYSA-N	422.488	5.283	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)o1	524831775	GLOODUZBLFROQA-YLJYHZDGSA-N	411.571	6.385	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1	525647164	WZTWNHAERNAGAX-UONOGXRCSA-N	419.344	5.249	30	20	HKED	
Cc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C	532483739	UDZKLLBOVNZAKD-SIKLNZKXSA-N	407.583	5.473	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(-c2nnc(C)o2)c1)c1ccc(C(F)(F)F)cc1	533076716	PRDWWKMJIJEKIV-LJQANCHMSA-N	415.415	5.501	30	20	HKED	
CC(C)C[C@](C)(C#N)NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	535324085	DOMVURWWFHFWAV-JLTOFOAXSA-N	405.951	5.061	30	20	HKED	
CS[C@@H](C)CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	536901893	YALUGDIOKRUUKD-NSHDSACASA-N	413.490	5.095	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541089083	IEKVVFOFEUCMRY-SFHVURJKSA-N	424.504	5.024	30	20	HKED	
C[C@H](N[C@H](Cc1ccccc1)c1cccs1)C(=O)N(CCC#N)c1ccc(F)cc1	541596667	CTYWPUMJGBSNCS-PGRDOPGGSA-N	421.541	5.096	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1	543070395	YXSHJFIHZGPRFI-GOSISDBHSA-N	408.461	5.136	30	20	HKED	
CN(C(=O)c1ccc(CC#N)cc1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	543108158	HUSFCESXMRPRFY-INIZCTEOSA-N	400.322	5.147	30	20	HKED	
C[C@H](NCc1ccc(F)cc1C#N)c1nc(-c2ccc(Br)cc2)cs1	543498838	QQXPOHHHYNBILP-LBPRGKRZSA-N	416.319	5.434	30	20	HKED	
C[C@@H](NCc1nc(O)c2ccc(Cl)cc2n1)c1ccc(-c2cccc(C#N)c2)cc1	543870512	BLFMVXOOJPNIPO-OAHLLOKOSA-N	414.896	5.378	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	543943974	VJHNQRLZKMVCLW-FDDCHVKYSA-N	403.526	5.077	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	548612284	PNYRJVAUKOMBIR-JOCHJYFZSA-N	407.876	5.306	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(F)cc1Br	548651388	LQGQGDKGOYIITG-LBPRGKRZSA-N	422.323	5.304	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OC(C)C)CC1	555265908	RIMQWSTZQHMJKB-FQEVSTJZSA-N	412.578	5.005	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ncsc1C(F)(F)F	558759368	AGBGFIYQSVEDGD-UHFFFAOYSA-N	419.403	5.328	30	20	HKED	
CNC(=O)c1cc(Oc2ccc(N[C@H](C)c3ccc(C#N)cc3Cl)cc2F)ccn1	564439766	VAVYUHQNHYIKHH-CYBMUJFWSA-N	424.863	5.071	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	568809547	TVORBRGMXFWNTM-KRWDZBQOSA-N	415.276	5.174	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1Cl	571903119	ZHFWSKUHKUFJRD-UHFFFAOYSA-N	413.949	5.553	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](OCCC)CC1	576987286	MKHFXQLMDFKQMZ-PKOBYXMFSA-N	418.969	5.043	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)N(c3ccsc3)C3CCCCC3)CC2)c(F)c1	580240138	DMUVFNAOSQNTMS-UHFFFAOYSA-N	411.546	5.341	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)N(Cc1ccccc1)c1ccccc1C#N	582624804	IJLULACTCCJSMN-UHFFFAOYSA-N	409.493	5.039	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1	583402998	GRCVKSFRTFDSDQ-KRWDZBQOSA-N	402.951	5.090	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccccc1SCC(F)(F)F)c1ccccc1	590104338	AMRYEAUVIXRZTO-INIZCTEOSA-N	407.461	5.898	30	20	HKED	
COc1cc(CC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)ccc1C	603532690	KWSNDOUGLILOCV-UHFFFAOYSA-N	402.469	5.099	30	20	HKED	
CCc1nc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2nc1CC	603765094	TUGBGOCDUVXZKG-UHFFFAOYSA-N	423.476	5.066	30	20	HKED	
Cc1cccc(C2(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CCC2)c1	603995967	VHMLPKSZNYKVDW-UHFFFAOYSA-N	409.489	5.179	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)cc2)cc1	604456976	GUXUFUXTGBQQPR-DEOSSOPVSA-N	414.461	5.161	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Br)c1	604567573	RNCONTZJEJSUPZ-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c1	604929758	SCHQBZHANNNTDP-QGZVFWFLSA-N	412.836	5.370	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(SCc2ccc(OCc3ccccc3)cc2)n1	608929416	BMBVSKBRNNRUQC-UHFFFAOYSA-N	404.491	5.001	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)o2)cc1	609054794	JZBUWOZCZCJLQU-JOCHJYFZSA-N	406.869	5.265	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609176550	MZMJSFWNXIXESB-UHFFFAOYSA-N	422.488	5.334	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1	609185342	VCBSHEKVWRDMKG-UHFFFAOYSA-N	402.519	5.279	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1cccc(Cl)c1	609401934	LKEAPIVCWNJAQJ-OAHLLOKOSA-N	403.935	5.134	30	20	HKED	
CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccccc1S[C@H](C)CC#N	609435148	RWTNJQCCUMWKMT-MRXNPFEDSA-N	413.543	5.152	30	20	HKED	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCCOc1cccc(C#N)c1	609504446	WADPTFOAKJGEHQ-UHFFFAOYSA-N	405.325	5.463	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1	609555885	KBBPETVKLSZPKY-CABCVRRESA-N	421.488	5.852	30	20	HKED	
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	609617257	YTJLVPXUYVAQCT-BFUOFWGJSA-N	408.889	5.483	30	20	HKED	
CN1CCC[C@H](CNc2ncc(C#N)cc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1	609797594	GDXIWGGZMKMPSI-CRAIPNDOSA-N	408.855	5.120	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1C(F)(F)F	610223882	ONWXBGKPNLFDBV-CQSZACIVSA-N	411.383	5.507	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccc(C#N)c1	610334983	DBIRFGQMWVGKKP-OAHLLOKOSA-N	400.413	5.244	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C	613346009	BCXVXJDGQFKBIO-OAHLLOKOSA-N	417.317	5.924	30	20	HKED	
CC(=O)c1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	615200671	GIXWVDIMFJWCJW-UHFFFAOYSA-N	404.853	5.388	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1	626581315	RNTWGJSVGLJMJT-UHFFFAOYSA-N	405.498	5.353	30	20	HKED	
Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1C(F)(F)F	674553759	PVSIYULROHPVDA-GHMZBOCLSA-N	408.264	5.218	30	20	HKED	
CC(=NNc1nc(-c2ccncc2)no1)c1sc(-c2ccc(Cl)cc2)nc1C	727651083	HMAJVHDUVOSGFQ-UHFFFAOYSA-N	410.890	5.053	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1	728468304	DYIYOGSDGQRYAP-CQSZACIVSA-N	423.390	5.575	30	20	HKED	
COc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1[N+](=O)[O-]	730148215	ZXXAKVUSFPZKEZ-GHRIWEEISA-N	416.458	5.637	30	20	HKED	
CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	730665239	VFKPIAZFJKVBKD-NRFANRHFSA-N	407.876	5.798	30	20	HKED	
N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1ccc2ccccc2n1	731288641	YVCJFEWXVHJUQP-LJQANCHMSA-N	423.310	5.423	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)cc1F	732434816	HIKTZJKSTCQQLU-GFCCVEGCSA-N	422.323	5.162	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)s1	734083017	KUZLXVCGAXWPQY-AWEZNQCLSA-N	422.560	5.118	30	20	HKED	
C=CC[C@H](NC(=O)N(CCC)[C@H](C)c1ccccc1Br)c1ccncc1	734683054	LRIDASNCCPLTRN-UZLBHIALSA-N	416.363	5.644	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3csc(Br)c3)c2)s1	739600208	SVLNZSQNGZKWDP-UHFFFAOYSA-N	403.326	5.041	30	20	HKED	
COc1cc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCCO3)ccc1OC(F)F	747116706	WRTSFRZZJNGNDM-HYXAFXHYSA-N	410.800	5.007	30	20	HKED	
CC(C)[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Cl)c1	750689895	NAGSPGRWAQGIOW-CRAIPNDOSA-N	401.844	5.701	30	20	HKED	
O=C(O)CCOc1cccc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)c1	750917386	TXBVQJQXDNLGMU-XNTDXEJSSA-N	404.434	5.067	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1F	752487172	HKKDABKOJMENIM-SMDDNHRTSA-N	418.415	5.737	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccn3)s2)CCc2nc(-c3ccccc3F)sc21	753144160	KHIUSXAZHVATEB-QBFSEMIESA-N	419.506	5.680	30	20	HKED	
CCOc1c(Br)cc(C=NOc2ccccc2C(F)(F)F)cc1OC	754724041	MGEWFOQAGQCRFB-UHFFFAOYSA-N	418.209	5.288	30	20	HKED	
C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)c1ccc(Oc2ccccc2)cc1	756590809	IACYYUNMROOHSL-AWEZNQCLSA-N	407.372	5.057	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3c(Cl)cccc3C2=O)cs1	758039264	IYQZXGSULJAAMK-FOWTUZBSSA-N	422.937	6.002	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)ON=Cc3ccc(Br)cc3)o2)cc1C	758410529	NAEZLRMHABCEJD-AWEZNQCLSA-N	400.276	5.228	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)c1	760019260	FMQCEORAPIJXMT-IBGZPJMESA-N	416.953	5.435	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	760195159	IRAOXDBYBAPKJU-IUODEOHRSA-N	415.827	5.170	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)Cc1cccc(OCC#N)c1	760576947	KRQKWSXDKYKSHS-UHFFFAOYSA-N	418.518	5.071	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Cc3ccc(Cl)cc3C2=O)cs1	762446523	JHBPHLCDIAUALQ-YBEGLDIGSA-N	408.910	5.612	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1Cl	772592910	IIUGDLROTXQFOF-IFMALSPDSA-N	408.860	5.197	30	20	HKED	
C=CCC[C@@H](NC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21)c1ccccc1	772625152	NBUGQGNQVKWFMG-JTHBVZDNSA-N	417.553	5.020	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1Cl	772820681	WGPQNXFLLHMPRW-UHFFFAOYSA-N	401.116	5.436	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cc3cc(Br)ccc3o2)c1	776165633	TVOKOIOJIBIUJS-KSSFIOAISA-N	413.315	5.727	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1	780675176	URQLNDZMIGCORU-GOSISDBHSA-N	403.457	5.351	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)CCC2	780789241	JWGADGHCJGSBIM-HXUWFJFHSA-N	419.575	5.423	30	20	HKED	
COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1cc2cnn(C(C)C)c2nc1Cl	787182102	AIWTYAQNVADMJU-QPJJXVBHSA-N	418.280	5.002	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3)-c3ccccc3C4)ccc21	787353263	XKDIIKIGIKOSHT-UHFFFAOYSA-N	421.500	5.093	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	789449643	IKSUSUAJVRJBGP-IBGZPJMESA-N	407.558	5.258	30	20	HKED	
C=CCN(CCC#N)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12	793566049	HFCJJHIQQRCXMX-UHFFFAOYSA-N	408.885	5.029	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1	796632740	ARBLXRVDZGQBPZ-FQEVSTJZSA-N	409.445	5.018	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(C(F)(F)F)s1	797193303	MAOHXTHGKDZUHG-UHFFFAOYSA-N	410.204	5.095	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](c4ccccn4)C3)cc2Cl)cc1	799207352	CXLCDFXUSBTHFC-QGZVFWFLSA-N	418.884	5.420	30	20	HKED	
CCc1ccc2occ(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2c1	803819315	UKBCWLXHEMRBTG-HNNXBMFYSA-N	422.506	5.042	30	20	HKED	
CCc1ccc2occ(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2c1	803819316	UKBCWLXHEMRBTG-OAHLLOKOSA-N	422.506	5.042	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccncc1	806819704	RISYLJHZWQCNMX-ICSRJNTNSA-N	403.448	5.307	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc2ccccc2[nH]1	915352294	GSCMVWXBNULKOC-XUZZJYLKSA-N	423.520	5.737	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2[nH]1	916844715	YCDDZUBKZSDAMC-SOGBHIHOSA-N	403.894	5.834	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SC(F)F)cc3)n2)cc1	916971514	BITUFQXFIMPDPR-INIZCTEOSA-N	400.475	5.923	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1	1786103835	HGVKYYYUOMHYEH-UHFFFAOYSA-N	423.582	5.276	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=C(C)CC3)cc2)CCC1	1789115057	QCQGSWNWMTUTEM-KRWDZBQOSA-N	402.485	5.078	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncsc45)cc3)CCC2)C1	1789342587	ZGDIEJRGKUOLFT-UHFFFAOYSA-N	417.534	5.010	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824632825	XHFWJTZMLQJNRG-PMACEKPBSA-N	424.576	5.056	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccncc1	6907793	NWAAWBZBKBNFKQ-SJORKVTESA-N	421.570	5.159	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(C)c1	10241307	XELVWIDYMCYSKQ-LJQANCHMSA-N	420.582	5.484	30	20	HKED	
Cc1ccc(-c2csc(/N=C(\O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1	29144566	FYUIMWORHVVCJO-UHFFFAOYSA-N	416.506	5.392	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C2CC2)[nH]n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	41537847	OSAUYQYIYFJDIM-LBPRGKRZSA-N	403.294	5.207	30	20	HKED	
CC(C)OCc1c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)oc2ccccc12	43483520	IHXPPMHYSNDNCN-UHFFFAOYSA-N	410.473	5.405	30	20	HKED	
C[C@@H](Nc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl)c1ccc(C#N)cc1	51964518	PAOSBABTYZFIOX-LLVKDONJSA-N	419.699	5.237	30	20	HKED	
C=CCc1cc(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc(OC)c1OC	78655195	YZWHRLGDAFHWPU-OAHLLOKOSA-N	408.523	5.047	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(CN(C)C)c1	79305549	QRKGWZMHTPOQMI-UHFFFAOYSA-N	403.457	5.112	30	20	HKED	
CCO[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	141712268	DUMOQHCNZYPSNM-DEOSSOPVSA-N	400.478	5.048	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)cc2)cc1	303069713	WRDQJEJUKJAHMP-XMMPIXPASA-N	412.493	5.895	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4ccc(Cl)cc4n3)cc2)nc1	410394403	AOXBKYRUDKTMTF-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C/C(=C\c1ccccc1)CN(C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	427204912	PTICFPFYSPPEBT-XDJHFCHBSA-N	412.537	5.256	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(-c3ncco3)c2C)c1	427454712	CTSXTHOEGBTCIX-IBGZPJMESA-N	402.498	5.014	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1F	429082011	HIDKMEFBPMAXJX-UHFFFAOYSA-N	424.451	5.172	30	20	HKED	
CC(C)c1nn(C)cc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	431979101	BITGNNJQKYQTKB-UHFFFAOYSA-N	409.877	5.505	30	20	HKED	
Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1	432003544	RHXCSBXUDJALNX-SFHVURJKSA-N	406.489	5.210	30	20	HKED	
CC1(C)CCCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@@H]1C#N	434022137	NTCLQDPTEGNURN-QGZVFWFLSA-N	403.404	5.047	30	20	HKED	
O=C(NCc1ccc(F)cc1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	435854353	DBNNUHRGRJOHDM-OAHLLOKOSA-N	408.317	5.337	30	20	HKED	
CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	437912329	WLNHHJOTXXXKCK-YADARESESA-N	405.542	5.764	30	20	HKED	
CCc1ccc([C@@H](COC)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1	438667209	BELXINSGHDZJJE-LJQANCHMSA-N	423.444	5.154	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@H]1c1cccc(Br)c1)c1ccccc1	438848765	QIQGHUUHMMEOMI-UXHICEINSA-N	412.331	5.341	30	20	HKED	
Cc1ccc(Br)cc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	439339001	HHMNJLWQABTRTD-CQSZACIVSA-N	418.360	5.474	30	20	HKED	
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](CCC#N)c1ccccc1	439676969	YYXKUBHPQXGOBM-CXAGYDPISA-N	421.722	5.031	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1)c1ccccn1	442654625	PZABEUWYOYCATI-LJQANCHMSA-N	413.329	6.171	30	20	HKED	
Cc1c(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cnn1C1CCCC1	444893981	HEIXOIOLANDPSS-UHFFFAOYSA-N	401.470	5.615	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1	460749827	BJGNBXQMYSKCIT-IKGGRYGDSA-N	424.125	5.240	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](OCCC)CC1	460953270	TVMULEOWWYDEAJ-HXUWFJFHSA-N	419.573	5.163	30	20	HKED	
CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1	461503195	PKOHKSNPNDIXQB-IBGZPJMESA-N	423.611	5.039	30	20	HKED	
C[C@H](C(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C)c1cccc(C#N)c1	462177055	QSMJWRRCKGQLGM-QHRIQVFBSA-N	415.356	5.024	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cncc2ccccc12)c1ccc(OCc2ccccc2)cc1	462605631	NOMRAIXNKCWFGT-AREMUKBSSA-N	421.500	5.127	30	20	HKED	
C[C@@H](C(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1)c1cccc(C#N)c1	464197771	XEXYJLGFJKGTSV-QGZVFWFLSA-N	406.530	5.068	30	20	HKED	
CCn1ncc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C(F)(F)F	466499567	MOHNBERWSNRXNU-UHFFFAOYSA-N	416.428	5.197	30	20	HKED	
N#CCCCOc1cccnc1NCc1csc(COc2ccc(Cl)cc2)n1	466635047	VVRUIOCRJQBVRS-UHFFFAOYSA-N	414.918	5.065	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1	468204223	ABAGEVOJXJJLQF-QWRGUYRKSA-N	407.285	5.327	30	20	HKED	
C=CCCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	468379355	LSCYRNUYCUWFRR-SAPNQHFASA-N	407.495	5.218	30	20	HKED	
Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc2ccc(Cl)cc12	469950346	LPZJLXNYYYGMKV-UHFFFAOYSA-N	421.884	5.230	30	20	HKED	
CC(C)(C)C1CCC(C#N)(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1	470191687	XWNIEFUJSKIJCW-UHFFFAOYSA-N	413.949	5.542	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc3n[nH]cc3c2)cc1Cl	474902465	VBLVXEFGBAMZGL-HXUWFJFHSA-N	400.869	5.053	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1	474959649	IHVLHZNNVYMELS-UHFFFAOYSA-N	415.468	5.060	30	20	HKED	
COc1ccc(CS(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)cc1Cl	478704506	OWPWVLSZWPTXJF-UHFFFAOYSA-N	411.910	5.002	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4cccc(F)c4)n3)n2)cc1	480920961	LNQYZMNIDAYJHI-IBGZPJMESA-N	416.481	5.242	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1Br	486336727	CJKBYVRZJNYFSB-UHFFFAOYSA-N	410.315	5.259	30	20	HKED	
Cc1ccccc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	487418452	OTDIMNROHDHHML-UHFFFAOYSA-N	415.440	5.114	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3cc(Cl)ccc3Cl)c2)c1	498372334	HATQHVOWTATZOR-UHFFFAOYSA-N	424.287	5.299	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	502656716	NWFXAJWGRZJKKE-FQEVSTJZSA-N	414.553	5.567	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C	505777561	PPOQKOVGXDGOJY-HNNXBMFYSA-N	416.333	5.980	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1	506953854	QOXSNWBJVPABAL-SKELBMGJSA-N	415.537	5.211	30	20	HKED	
O=C(Nc1ccccc1OCC(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509729691	QDBWPMZBHVOPET-CQSZACIVSA-N	424.316	5.582	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1F)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	512851765	KWIFLVILCAITGX-CYBMUJFWSA-N	414.252	5.130	30	20	HKED	
C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(Oc2ccccc2)c(F)c1	518263364	JAVOANNLRWCZTC-IBGZPJMESA-N	404.485	6.151	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCOc1ccccc1F	518946309	OLKKGICOCALOSQ-UHFFFAOYSA-N	406.432	5.147	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3cccnc3)c2)c1	522302536	DSFGMFWOZRVTCK-SANMLTNESA-N	419.484	5.052	30	20	HKED	
Cc1ccc(-n2c(S[C@@H](C#N)C3CCCCC3)nnc2-c2ccncc2)cc1C	522333119	FNQLYVLFTXRTFL-NRFANRHFSA-N	403.555	5.511	30	20	HKED	
Fc1ccc(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(C(F)(F)F)c1	522646989	OTSIRRSQTLIUKL-UHFFFAOYSA-N	416.300	5.327	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	523879569	SKVYDPDGCOBEHB-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1	525320296	DBLZUZQJDAPGIS-CQSZACIVSA-N	401.919	5.515	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1	525521287	QHTHELOITKRLJJ-UHFFFAOYSA-N	418.990	5.534	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4ccccc4Cl)nc3)[nH]c12	530858250	QKWUKESJBIHIRU-OAHLLOKOSA-N	402.841	5.202	30	20	HKED	
N#CCC[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	533038390	NGBGFDVYZDEGKQ-IBGZPJMESA-N	401.457	5.964	30	20	HKED	
Cc1cnccc1CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	533634032	NVEYFVNJWPXCDW-NRFANRHFSA-N	404.901	5.063	30	20	HKED	
N#Cc1cnc(C(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c(Cl)c1	536887441	WVGPMXKMMMEUBX-OAHLLOKOSA-N	414.214	5.160	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1	536972363	OQEXRMBNNCTCRU-UHFFFAOYSA-N	417.962	5.808	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	540329827	IBFCXMDSCAMUAQ-CRAIPNDOSA-N	401.963	5.414	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SCCC#N)oc2c(Br)cccc12	542041558	BHUNLKCYGHPEEG-UHFFFAOYSA-N	415.312	5.762	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)ccc1Cl	542552947	YTWSBMKJWJIUMM-UHFFFAOYSA-N	407.857	5.880	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1CCc1ccccc1	543593617	BAVJWSHAJBYVIP-PZJWPPBQSA-N	407.583	5.958	30	20	HKED	
C=CCCO[C@H](C)c1nc(-c2cnc(Oc3ccc(Cl)c(CC)c3)cn2)no1	545097036	SNSGTSDLMURPCX-CYBMUJFWSA-N	400.866	5.188	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	554877214	XUQPVKSSQISOSN-YOEHRIQHSA-N	411.493	5.525	30	20	HKED	
C[C@@](C#N)(NC(=O)c1oc2ccccc2c1CSc1ncccn1)C1CCCCC1	555905270	SYQAITUVFSJDNG-QHCPKHFHSA-N	420.538	5.107	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N(CCC#N)Cc1ccco1	567799889	KDOIXSFPFSTHDJ-UHFFFAOYSA-N	408.321	5.102	30	20	HKED	
N#Cc1c(NC(=O)c2scnc2C2CCCC2)sc2c1-c1ccccc1CC2	573170046	DRMLHGVRIWPGRL-UHFFFAOYSA-N	405.548	5.752	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC1CCCC1	581334066	GYSFYJRUADCIKA-UHFFFAOYSA-N	409.555	5.273	30	20	HKED	
N#Cc1cccc(-c2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)n1	589367218	LQJOHSCSYXCHMT-UHFFFAOYSA-N	410.220	5.164	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CC1(C#N)CC1	590140222	IEMAKECYJZRYSF-MAUKXSAKSA-N	403.913	5.550	30	20	HKED	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	594362944	KSZKDMCGIGLGBI-QGZVFWFLSA-N	416.506	5.007	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1	602228104	AJXRJFJGPGWXHK-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)cn2)c1	603693549	YOVDWPPFXHIJRT-DEOSSOPVSA-N	421.460	5.052	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	609435253	ASRHCTUZOURGLM-UONOGXRCSA-N	407.461	5.982	30	20	HKED	
CCOc1ccc(C(F)(F)F)cc1NC(=O)CCCCOc1cccc(C#N)c1	609501785	ILBIQRNUOYDFPD-UHFFFAOYSA-N	406.404	5.164	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609919237	RNXGRJBUOOESCN-OAHLLOKOSA-N	424.957	5.354	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)c1	609981807	IAPPOAJFOQKPMK-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)[C@@H](C)c3ccc(Br)s3)c2C#N)C1	610387545	FVOCBHUZFRJXKA-UWVGGRQHSA-N	409.374	5.311	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC(Cc4ccccc4)C3)c2)cc1	610629255	SZBUMOLAJDTJHS-UHFFFAOYSA-N	411.505	5.038	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	611557078	XYXUXBZJYXEKSG-GOEBONIOSA-N	403.404	5.545	30	20	HKED	
N#Cc1c(SCc2noc(-c3cccs3)n2)nc2c(c1-c1ccco1)CCC2	612213924	ZKCVOPKGYRBCBU-UHFFFAOYSA-N	406.492	5.106	30	20	HKED	
O=C(Nc1cccc(OC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618540578	UKZYCQZSWDDQGQ-IUCAKERBSA-N	424.263	5.180	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@H](C)c1cccc(C#N)c1	619551804	DYZBDBSLNWINRE-LLVKDONJSA-N	400.265	5.320	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1cnc2ccccc2n1	682995165	PLEDCCHCVZSPAK-HXUWFJFHSA-N	413.864	5.352	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12	684562894	DERLATWSRLBWHR-QWRGUYRKSA-N	407.329	5.618	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)cc2)cc1NC(C)=O	726428268	IXBVNBZGFRNMPV-XYOKQWHBSA-N	419.452	5.268	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1	727588479	PPUOXWGSCPRIPV-QFIPXVFZSA-N	424.472	5.032	30	20	HKED	
COc1ccccc1/C(C)=C\C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	727632188	SGBHYECQXYASOI-WVUXNXBLSA-N	410.445	5.377	30	20	HKED	
CCC[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)c(Cl)c1	727844674	GLZYDCMBOZLRLN-LJQANCHMSA-N	406.313	5.236	30	20	HKED	
CC(C)N(C(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(C)C	728062803	ULXKHSQCASDEJZ-KRWDZBQOSA-N	413.949	5.236	30	20	HKED	
O=C1/C(=C/c2ccc(-n3cncn3)cc2)CCc2nc(-c3ccc(Cl)cc3)sc21	728439318	ZOTJPOYDBSXQMW-LFIBNONCSA-N	418.909	5.257	30	20	HKED	
N#Cc1ccc(N2CC[C@H](Sc3nc4cc(C(F)(F)F)ccc4s3)C2=O)cc1	730441014	PODZNNTULFRZHL-INIZCTEOSA-N	419.453	5.084	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1	731399944	JNXWNKUUMVEKJJ-IAGOWNOFSA-N	422.554	5.090	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cc1	731938577	QLHPEIQPQJXSDH-AOHITCTBSA-N	404.466	5.453	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Oc3cccc(NC(=O)C4CC4)c3)cc2)cc1	731975001	OAJJOOANZDJAFD-UHFFFAOYSA-N	412.445	5.113	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)c1	733807309	UPRJARGJANRVRG-RHSMWYFYSA-N	420.340	5.577	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(S[C@H](C)CC)cc2C)c1	733843780	AMDBOVZQZYGFNG-MJGOQNOKSA-N	411.571	5.888	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3c[nH]c4ccc(OC)cc34)cs2)cc1	734306561	GNCIYQQWSTYZLC-KMKOMSMNSA-N	420.490	5.117	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc(-c2ccccc2F)s1)C(C)C)c1ccncc1	734684090	SCIUXWJAEZKBQK-QFIPXVFZSA-N	423.557	6.187	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=S)Nc2ccccc2C#N)C(C)C)cc1	741502423	LZNJEZSNLHVBGJ-UHFFFAOYSA-N	415.562	5.841	30	20	HKED	
Cc1ccc(-c2ccc(/C=C\C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)o2)cc1	741852428	NYXVEBSHXVVYLU-WQLSENKSSA-N	416.445	5.190	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C/c1cccc(OCc3ccccc3C(=O)O)c1)C2=O	742437326	LLPLUTXBZASNDY-NDENLUEZSA-N	409.441	5.048	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1	743478349	WHHJRAQZBMBYKH-LJQANCHMSA-N	420.557	5.035	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCSc4ccccc43)n2)cc1	744061460	LGWHALUQTSILSY-MSOLQXFVSA-N	406.532	5.275	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)c1cccc(F)c1	747106216	NUZGOEYBIVVJNB-ABAIWWIYSA-N	400.862	5.174	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccsc2)cc(Br)c1OC(F)F	750907738	AZJPXMFDURETBK-ARJAWSKDSA-N	403.244	5.407	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C\SCc3ccco3)c2)cc1	754222950	CVKOHMKFOHYJRA-KAMYIIQDSA-N	404.491	5.310	30	20	HKED	
COc1ccccc1-c1ccc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)cc1	764436202	QWNYJBLQWQJCCF-KAMYIIQDSA-N	417.480	5.234	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1	766616910	LGGHOMGOVVLFDH-QMTHXVAHSA-N	419.731	5.692	30	20	HKED	
C#CCCN(Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S)CC(F)(F)F	767501371	KYFQPOOPMNHZBC-UHFFFAOYSA-N	412.481	5.024	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1ncc(-c2ccccc2)s1)C(=O)c1ccccc1	770570980	MDLBWRMSBBOOOI-XSFVSMFZSA-N	411.486	5.110	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1	775227184	MJFSOFUFFAPMHW-MRXNPFEDSA-N	401.919	5.114	30	20	HKED	
C/C(=C\c1ccc(C)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	779197615	YMGPTJMTBAOVRM-BENYOCTQSA-N	410.473	5.538	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)NCc2ccc(C#N)cn2)C(C)C)s1	780652350	YNCZCWIVCYQPNX-UHFFFAOYSA-N	404.539	5.110	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC[C@@H](C#N)Cc1cccs1	781826770	QRZALTWULASGQT-GFCCVEGCSA-N	421.305	5.558	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Br)cc2F)ccc1OC	783252784	VNLPTUVAZNDALE-CJNGLKHVSA-N	421.310	5.129	30	20	HKED	
O=C(Oc1c(F)c(F)cc(F)c1F)c1ncoc1-c1cccc(C(F)(F)F)c1	784834883	WCHIFTHMRZSRCT-UHFFFAOYSA-N	405.225	5.136	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12	785856568	KJEGBRZODCDQIU-KRWDZBQOSA-N	422.326	5.240	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)nc2C(F)(F)F)nnc1-c1ccoc1C	786706054	BHFZLGSWFXCILY-UHFFFAOYSA-N	414.840	5.392	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1	787045262	IPDISHSPUGVYAX-ZWKOTPCHSA-N	423.925	5.053	30	20	HKED	
C#CCC1(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCCCC1	788217781	KCNMLXNIJHIQRC-UHFFFAOYSA-N	402.705	5.102	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	796644312	VIPVPALWMRCCAN-WDMOLILDSA-N	407.322	5.298	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1	797568703	LJIPSSJPMYYFFX-INIZCTEOSA-N	413.543	5.207	30	20	HKED	
CCc1cccc(C)c1NN=Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1	799493909	VETWDRJVPFGFIX-UHFFFAOYSA-N	408.527	5.153	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3c(Cl)nc4sccn34)no2)c2ccccc21	809473082	JOVPYNGVXLJRDN-UHFFFAOYSA-N	408.874	5.025	30	20	HKED	
N#Cc1c(F)cccc1/C=C(\Cl)c1nc(O)c2c(-c3cccs3)csc2n1	811687814	RDVOQCTUSRQWRE-QPEQYQDCSA-N	413.886	5.873	30	20	HKED	
Oc1c(CNc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)ccc(F)c1F	864040688	URWSOCUQMFYMAU-UHFFFAOYSA-N	403.244	5.572	30	20	HKED	
C=CCOc1cccc(/C=C(/Cl)c2nc(O)c3ccc(C(F)(F)F)cc3n2)c1	916128375	ZGEMQDWCABGZOW-MHWRWJLKSA-N	406.791	5.656	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccccc3OC(F)F)c2)cc1	916140262	IIIMBIYCXCOZRE-ZROIWOOFSA-N	423.415	5.445	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(F)cc2)cc1	916915377	CGTNLOWENRSMPL-HSZRJFAPSA-N	424.431	5.732	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995227	CORJQGHWVDYJPF-AWEZNQCLSA-N	405.281	5.675	30	20	HKED	
CCc1ccccc1NC(=S)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	917599967	FLVQTVZIULWWNO-UHFFFAOYSA-N	407.926	6.375	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)cnn1-c1ccc(F)cc1	920991428	HGUVOFQQEZXNSM-WCIBSUBMSA-N	413.452	5.190	30	20	HKED	
CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1	1792123245	PEKOBMXYVJQXLE-RBUKOAKNSA-N	417.553	5.498	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)s2)n[nH]1	1816351764	LQICGNBPJOFQSA-QGZVFWFLSA-N	414.575	5.078	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC)cc2)n[nH]1	1820606371	INKIDJHXNCOFDI-RBBKRZOGSA-N	420.557	5.046	30	20	HKED	
CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	1831467565	RSRZXLIKGRYWLT-YKSBVNFPSA-N	423.601	5.008	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1	60451197	LRSQIWPRKUPYJG-CYBMUJFWSA-N	405.976	5.287	30	20	HKED	
C=CCn1c(SCc2nc(C)c(C)o2)nc2cc(-c3ccccc3)sc2c1=O	63533290	HICNERMEKWIFGT-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
CC(C)Cc1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1	64101787	SPYXLTQSDKQVCF-NSHDSACASA-N	409.458	5.460	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(Cl)ccc2o1)c1nc(-c2c(F)cccc2F)cs1	64715064	LYJNQJHYIAOZFX-LBPRGKRZSA-N	414.820	5.978	30	20	HKED	
CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)[C@H](C)c1ccc(C#N)cc1	107793230	KIEIRYGYKZLAFL-QGZVFWFLSA-N	420.944	5.166	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cnc(-c3ccccc3F)s2)cc1	109032210	PXZJSKGKEVYOAY-UHFFFAOYSA-N	419.403	5.026	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(SCc2csc(C)n2)cc1	109329969	JFXBFCDPSBDGDE-UHFFFAOYSA-N	410.539	5.159	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c(OC)c1	209989410	DMEIYWBNOJBUFX-RAXLEYEMSA-N	421.880	5.506	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC3(c4ccccc4F)CC3)c2)cc1	303774445	JWMCHVPUXGKFOE-UHFFFAOYSA-N	415.468	5.282	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)cc1F	431801824	SYEXKJFXFQVQDP-UHFFFAOYSA-N	419.460	5.123	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	433008834	FEAKTKQAOQEUQT-GOSISDBHSA-N	409.839	5.322	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccc2ccccc12	434712835	DTFPTKIKIAWRIG-JOCHJYFZSA-N	401.535	5.231	30	20	HKED	
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)[C@H](C)c1ccc(Cl)c(Cl)c1	437383742	YCAQUBOTPJRFJI-CQSZACIVSA-N	418.324	5.112	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437496976	MEIZWJLRPXRYIR-PMACEKPBSA-N	402.425	5.240	30	20	HKED	
Cn1cnc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c21	439253266	BPLGFXWHCFNEOK-LJQANCHMSA-N	400.869	5.134	30	20	HKED	
C[C@H](Nc1ccc2oc(CC(C)(C)C)nc2c1)C(=O)N(CCC#N)c1ccccc1	439592471	HUTGBAPJOSRSMZ-KRWDZBQOSA-N	404.514	5.164	30	20	HKED	
CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1ccc(C#N)cc1	439920141	GAXXYCISSZBXMH-UHFFFAOYSA-N	415.543	5.616	30	20	HKED	
COCc1nc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c(-c2ccccc2)s1	441317711	LPGRCMTYPOIOQE-UHFFFAOYSA-N	420.538	5.079	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)c1ccc(C(F)(F)F)cc1	442282730	IZPIXSBKPITDIZ-UXPWSPDFSA-N	420.479	5.202	30	20	HKED	
C[C@@H](SCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccc(C#N)c1	443143582	JCSPAPCCVNFCMZ-CQSZACIVSA-N	414.577	5.080	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(Cl)c1O	443343863	NJPAKHHRFUSAGN-UHFFFAOYSA-N	408.841	5.279	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	444972172	BAXOSNSRMXKNPX-GFCCVEGCSA-N	400.891	5.508	30	20	HKED	
C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1	446214873	GOEKIPITLUUGQI-ZWKOTPCHSA-N	413.587	5.453	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(Oc4cccnn4)c3)c2)cc1	461560512	RJVZZLVLXCNYRP-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccc(OCc2ccccc2)cc1	463541941	HOPZCUJVQXZBEC-RUZDIDTESA-N	412.489	5.192	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	466625855	IRKHMXZUACJWKG-QGZVFWFLSA-N	419.312	5.440	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1	469515127	HGWUWVVGMZZYIP-QGZVFWFLSA-N	418.566	6.145	30	20	HKED	
C=CCN(Cc1ccccc1)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1	470977504	WRPACMOJJACZMX-UHFFFAOYSA-N	405.567	5.129	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Cl)c1	471824190	FXEVZIHJJAXRFF-HNNXBMFYSA-N	402.947	6.023	30	20	HKED	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c12	474449834	VYYDQUHAYONTGF-CQSZACIVSA-N	421.551	5.075	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H](CC#N)c2ccccc2)cc1	475020163	YHJRMGJPUVEVDA-JOCHJYFZSA-N	409.489	5.358	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2OCC(F)F)cc1	475409655	ARKLRHBSFSTSIS-UHFFFAOYSA-N	412.367	5.386	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1	475557050	VZINFYFOUKQJEP-FQEVSTJZSA-N	420.557	5.125	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(Cl)c1	477706221	VLZFSKIXHMKARA-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
C=CCN(C(=O)c1cccc(Cl)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	478735599	RQDKUIQGAZAVRI-UHFFFAOYSA-N	417.849	5.344	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1	480147188	AJHKRHNYMWZAHZ-UHFFFAOYSA-N	422.529	5.501	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl	485360042	QTZOUIABNGBPHV-UHFFFAOYSA-N	405.970	5.421	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(C)cc1	489632495	WDWXKZBVHQVDJJ-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	491470188	QKKNBQRAMYAJFJ-DYESRHJHSA-N	423.582	5.089	30	20	HKED	
C[C@H](C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1c(F)cccc1F	493381984	CFYCCDYMQSXDIF-VFZGTOFNSA-N	409.301	5.090	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1OCC(F)F	497535185	CTTJLBKVXJQMJN-UHFFFAOYSA-N	407.848	5.300	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1	500902219	RSVWRAGYSSEYQK-SFHVURJKSA-N	422.500	5.427	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCOC)Cc1sccc1Br	505011079	PSONVFOZNUMSDQ-UHFFFAOYSA-N	423.376	5.310	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1	509112823	RNYPFUINBCGKGF-UHFFFAOYSA-N	420.534	5.527	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1ccccc1SCc1ccc(Br)cc1	509722746	UKRGFXTZXLBTCA-HNNXBMFYSA-N	417.372	5.363	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1	510533791	MKMRZKWDNOYZNN-HSZRJFAPSA-N	401.466	5.168	30	20	HKED	
C=C(C)CN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1cnn(C(C)C)c1	512506914	RPOZOVBHCNWDBF-UHFFFAOYSA-N	402.542	5.148	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccccc1SC[C@@H](C)C#N	513214723	ZMVUJAGHTQWGKP-HNNXBMFYSA-N	406.507	5.377	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(CC#N)cc2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	514343535	KHRVPFMSXUEGIV-IWLVTHKOSA-N	422.598	5.294	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc(C)nc21	519424938	MOYHXAZNVIWVOF-GOEBONIOSA-N	407.543	5.215	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	520821643	QNIQIZWOIWMZJC-KXBFYZLASA-N	419.015	6.415	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccccc2Cl)n1	520825059	UADAEQUCOUZYJP-ZDUSSCGKSA-N	413.955	5.968	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC4(CCCCC4)C3)c2)c1	522090527	KFQWCQUGXBTSDS-UHFFFAOYSA-N	416.525	5.389	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc3ccccc3n2)cc1	522307475	XYCUOBNFEHMDME-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccsc1	523115132	VFKZHRBFKOCNFQ-NSHDSACASA-N	421.469	5.428	30	20	HKED	
Cc1ccc(NC(=O)[C@H](Sc2ccccc2C#N)c2ccccc2)c([N+](=O)[O-])c1	525083180	KVMOINRNCNKPAA-OAQYLSRUSA-N	403.463	5.247	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Br)c1	535094660	LHLOJFIHJAJYNG-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	537259045	SYCIOVUASZLWLA-GOSISDBHSA-N	419.525	5.571	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1	537902420	BRJZIGWVTVAKLW-ZJSXRUAMSA-N	414.530	5.217	30	20	HKED	
Cc1c([C@@H](C)N[C@H](CCC#N)c2ccccc2)nnn1-c1cccc(Br)c1	540147974	RAMVZXPAFZPYRW-FOIQADDNSA-N	424.346	5.034	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	542025873	IHQGINDWYSIDPL-BEFAXECRSA-N	411.575	5.428	30	20	HKED	
Cc1cc(-c2noc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)ccc1F	542946611	WFQHYXQTALWTFR-QGZVFWFLSA-N	412.468	5.574	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)cc1	543608300	DTNKAHZOQHFYMM-DNQXCXABSA-N	415.468	5.091	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1SC1CCCC1	544152153	VEWPCFRSCQSIDJ-UHFFFAOYSA-N	410.539	5.179	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)Cc1csc([C@H](C)OCC)n1	549279757	MGTXSYAMFZQFHK-KRWDZBQOSA-N	411.575	5.020	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2cccc(Cl)c2)o1	552686909	MADSJGXCCVZPEJ-UHFFFAOYSA-N	423.929	5.051	30	20	HKED	
N#Cc1c(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)sc2c1CCC2	559272074	HTIQPQHCVJIWQY-UHFFFAOYSA-N	401.702	5.086	30	20	HKED	
Cc1sc([C@@H](C)NCc2cnc3ccc(C#N)cn23)nc1-c1ccc(Cl)cc1	560256066	BELFWRGTLRPMLI-CYBMUJFWSA-N	407.930	5.142	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(OCc2ccccc2)cc1	569775539	LQLLVBMPNFUPNH-FUDKSRODSA-N	418.443	5.028	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1	574228483	SHWBSDHSRYGAKM-UZLBHIALSA-N	403.448	5.323	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1cccc(C)c1	580616772	NZAMPWSTZVKJLG-KRWDZBQOSA-N	412.415	5.037	30	20	HKED	
O=C(Cc1ccccc1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	591129311	HJJHHNLFIQLSFM-QWRGUYRKSA-N	421.303	5.274	30	20	HKED	
CCc1nc2ccccc2c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C	603764616	KMZVSMSCAOSSSQ-UHFFFAOYSA-N	408.461	5.417	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	604085019	UJCKFPRTGYOGRW-GOSISDBHSA-N	415.493	5.223	30	20	HKED	
C=CCCCN(C)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F	605958487	VPSKXTXXLWENRK-LJQANCHMSA-N	405.311	5.285	30	20	HKED	
N#Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c(F)c1	609229466	SKYUOVRAQIPGHD-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)c(F)c1	609299420	SXZNPSPLYQZKJB-NRFANRHFSA-N	412.436	5.125	30	20	HKED	
CC(C)c1nc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2s1	609502177	JSRFTDXRGXVQGT-UHFFFAOYSA-N	414.490	5.731	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccc1Cl	609643223	HLYIUTOAODGQJA-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
CCO[C@H](C)c1nc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)cs1	609754306	KICXXTPJZUMPJY-CYBMUJFWSA-N	403.573	5.014	30	20	HKED	
C[C@H](SCc1nc(Cc2cccc(Br)c2)no1)c1ccc(C#N)cc1	609825742	QQKYJHUQBSGONG-ZDUSSCGKSA-N	414.328	5.289	30	20	HKED	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	610010454	ZPWCSHOIDUHGPF-PXNSSMCTSA-N	416.550	5.324	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	611557079	XYXUXBZJYXEKSG-HOCLYGCPSA-N	403.404	5.545	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1	613392665	YGVPDVOMZZQELA-INIZCTEOSA-N	405.479	5.563	30	20	HKED	
C=CCN(C(=O)c1ccc(N2CCCCCC2)nc1)c1nc(-c2ccccc2)cs1	617943923	WVHWNFMGSYQWCF-UHFFFAOYSA-N	418.566	5.418	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3sc(C)c(C)c3C#N)c2C(F)(F)F)cc1	619674815	SWKHODTTWQUKMJ-UHFFFAOYSA-N	404.417	5.002	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(-c2ccccc2F)on1	642230387	RICRPZCLWAQVIP-URLYPYJESA-N	424.316	5.120	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(C)C	642281839	SOMINXNDBHDNCX-SFHVURJKSA-N	406.507	5.344	30	20	HKED	
C=C(CNC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1	672483248	XXTUVENYATULJA-UHFFFAOYSA-N	419.369	5.006	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1=S	725772049	QJWPJHHILRBIKC-JOCHJYFZSA-N	417.582	5.162	30	20	HKED	
CC(=NNc1ccc(Br)cn1)c1sc(-c2ccc(C)cc2)nc1C	727647972	PYKMJEPQUHLELO-UHFFFAOYSA-N	401.333	5.421	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2cnc(-c3ccccn3)s2)s1	727662342	KLGRTBJKKSUSEK-UHFFFAOYSA-N	401.561	5.212	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Oc3ccc(NC(=O)c4ccco4)cc3)c2)cc1	728767115	VKHCICPZRTYQCR-UHFFFAOYSA-N	424.412	5.415	30	20	HKED	
CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccccc1Oc1ccccc1	729473229	STJBVUIUKZOIFB-FQEVSTJZSA-N	420.472	5.152	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1	730954576	DHRFVYROVIQEFZ-AWEZNQCLSA-N	422.044	5.670	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1=NO[C@@H](c2ccccc2)C1	730996156	VYXDUVDPIRJEBF-QGZVFWFLSA-N	419.428	5.167	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	731114079	FHBWMNYAQHFHOP-QGZVFWFLSA-N	421.522	5.471	30	20	HKED	
N#CCOc1ccc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1	731156307	OATXPLKWEXRZTL-UHFFFAOYSA-N	416.481	5.268	30	20	HKED	
CC(C)(C)n1cc(C(=O)OCc2ccc(OCC#N)cc2)c(-c2ccccc2Cl)n1	733493609	YHNRWFLUNCEDHW-UHFFFAOYSA-N	423.900	5.218	30	20	HKED	
C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc(NC(=O)c2ccncc2)cc1	733750237	QSXGYAWRJDGFGE-QOWQLIIWSA-N	414.292	5.526	30	20	HKED	
CCCN(C(=O)NCc1cccc(O[C@@H](C#N)CC)c1)[C@@H](C)c1cc2ccccc2o1	733806081	XDTILLXSHPQWOA-GHTZIAJQSA-N	419.525	5.797	30	20	HKED	
Cc1cccc(COc2c(C)cc(C=Nn3c(C)nc4sccc4c3=O)cc2C)c1	734362709	BRBQHSQXPNQUCQ-UHFFFAOYSA-N	417.534	5.153	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F	738897954	XREFDPAAUMEOLT-JTHBVZDNSA-N	405.448	5.893	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc3c(c2)-c2ccccc2C3)c1C	739669133	PBLGWOWRPMKKFK-UHFFFAOYSA-N	404.473	5.184	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1	742537457	KDFKNLDJAUQHMN-SFHVURJKSA-N	409.258	5.496	30	20	HKED	
CCOc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	742993645	JFXDTKMKISOLPO-UHFFFAOYSA-N	417.534	5.653	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H](C)[C@H]2CCC)c1=S	743380544	JFNVQPFCUSBJON-IEBWSBKVSA-N	400.592	5.134	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	744026023	RGHYGUNYUXULCU-REWPJTCUSA-N	416.908	5.404	30	20	HKED	
Cc1ccc(N(CC(=O)Nc2ccccc2SCC#N)Cc2cccs2)cc1	744396298	GNXOHPXPPZAPIP-UHFFFAOYSA-N	407.564	5.318	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccccc1Cl	745724394	QEEGCSOJKJNAKE-UHFFFAOYSA-N	409.917	6.063	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	746126153	RWNWYDGDDHOOMV-CJNGLKHVSA-N	417.456	5.184	30	20	HKED	
CN(C(=S)Nc1ccccc1C#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	749007755	RFTNXBXQFSMWEI-OAQYLSRUSA-N	409.917	5.769	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1C	750914283	VEEAAZXSGALVOD-MDWZMJQESA-N	407.901	5.322	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C1\CCc2cc(SC(F)F)ccc2C1=O	750915035	BUVRIHPSVCEPQD-MDWZMJQESA-N	406.450	5.240	30	20	HKED	
O=C1/C(=C\c2ccc(Cl)nc2)CC2(CCOCC2)C/C1=C/c1ccc(Cl)nc1	751516602	DTMPGMPWZPPHLV-XFQWXJFMSA-N	415.320	5.410	30	20	HKED	
Cc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-]	752636247	JOURWIVBNDNZDC-HTAPYJJXSA-N	414.465	5.441	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cs1	758028148	CKDUCCSKXGXCCA-NVMNQCDNSA-N	412.417	5.031	30	20	HKED	
N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1	758117033	SLZXGIBVDVKKJG-UHFFFAOYSA-N	424.378	5.040	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2c(C(F)(F)F)ccnc2Cl)s1	759573339	DYDBVLLELYVCAP-UHFFFAOYSA-N	420.888	5.761	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccncn1	760333944	MUXNDHZOTNJHMQ-FOIQADDNSA-N	414.317	5.493	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccc(F)cc1OCC#N	761663206	KOBIYASKSABGPT-AWEZNQCLSA-N	410.474	5.043	30	20	HKED	
N#Cc1cc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c(Cl)c([N+](=O)[O-])c1	764307535	RQUUSXCFJVZIMU-UHFFFAOYSA-N	405.024	5.332	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(c3ccc(F)cc3)CC2)c1=S	765069674	BPZBGCKTVOLXCB-UHFFFAOYSA-N	423.561	5.028	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccncc1	776148364	CNUCPCUCYLAZQT-RBUKOAKNSA-N	418.310	5.051	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2cc(Cl)cc(C(F)(F)F)c2)ccc1OC	780531440	BFBMWRMHELPRLQ-QGZVFWFLSA-N	412.839	5.338	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1O[C@H](C)C#N	780671833	WBRQAQVMBXIPFT-CQSZACIVSA-N	406.313	5.727	30	20	HKED	
Cc1ccc(C)c(Oc2ccc(CNC(=O)Nc3ccccc3O[C@@H](C)C#N)cn2)c1	780676610	PQRMOSMVBCJHAG-SFHVURJKSA-N	416.481	5.103	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)c1=S	782951128	BYBKFLCESMMNHD-UGKGYDQZSA-N	419.598	5.196	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)Nc1ccc(Br)cc1	783736529	YJYNTTZUKKUYSB-GFCCVEGCSA-N	406.374	5.510	30	20	HKED	
Cc1cccnc1C(F)(F)C(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	784018563	POHGRVMJDKWKGP-ZDUSSCGKSA-N	413.264	5.347	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC3(CCCCC3)CC2)ccc1OC	786761456	RCUORZKWMQCITB-FQEVSTJZSA-N	413.562	5.022	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccc(Cl)cc2)s1)c1cc(Br)ncc1F	789146745	CDBHLPQFIHUSDX-AATRIKPKSA-N	423.694	5.656	30	20	HKED	
COc1cc(C(=O)/C=C\c2cc(Br)c(Cl)s2)cc(OC)c1OC	790209529	RXDUSQXRDQMINS-PLNGDYQASA-N	417.708	5.086	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cnn(C2CCCC2)c1	799898635	XFWJIKKPOVQFES-OUKQBFOZSA-N	419.912	5.800	30	20	HKED	
C=CCn1c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nnc1-c1cccnc1	809954459	ZCSCXKFFTXNPJY-UHFFFAOYSA-N	422.297	5.033	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(OC(F)F)cc3)c2)cc1	916137806	ZUAUTESOEKYFTG-RZNTYIFUSA-N	423.415	5.445	30	20	HKED	
COc1ccccc1CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1	916679914	AZUFLMGTQCXNOE-DEOSSOPVSA-N	411.505	5.547	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(C(C)(C)C)cc1	916904030	ZMTVFYSWIRKRTK-IBWPDUFMSA-N	424.928	5.315	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)C(=O)Nc4cccc5ccccc45)cc3c2C1	916917535	HOCOQYIAWFYLBC-AOMKIAJQSA-N	421.500	5.407	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1	917026915	SMFWYIWAIKFXNL-FXAWDEMLSA-N	404.535	5.886	30	20	HKED	
N#C[C@@H](C(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1)c1nc2ccccc2s1	917094234	NDRSELDPDCJTGF-FCHUYYIVSA-N	423.541	5.120	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@H]2C)cs1	917559328	ICDRJZVMYBGTON-VZWMTCDZSA-N	422.481	5.364	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1	919982330	RXFHFQGJVWZVQG-UHFFFAOYSA-N	404.278	5.272	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CCC1	1788906965	PLCOBEPDULSNQC-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2	1798592179	JLUMJMUAQRUQDO-MUJYYYPQSA-N	423.384	5.238	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CC=C)C(=C)C)n[nH]1	1819301667	OCBNALJGFFBGAT-ICSRJNTNSA-N	412.578	5.163	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)s2)CC1	1825347323	ZJHIKNHPDNZWGQ-SFHVURJKSA-N	420.594	5.113	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826367993	LXRQLXFXQPHUJR-LOSJGSFVSA-N	422.613	5.007	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1828821415	NFSVXUCZDGKEEM-RTWAWAEBSA-N	414.615	5.058	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C#N)C1	5902660	KWIFSAKZEROPPB-AWEZNQCLSA-N	406.507	5.129	30	20	HKED	
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3C#N)c2n1	9704446	WAUBVOFHTRGHLX-UHFFFAOYSA-N	420.683	5.393	30	20	HKED	
C=CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1	14723821	UEWYVLQSFILWTC-UHFFFAOYSA-N	411.508	5.030	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1	17897777	KBSNEDATOWSDAH-UHFFFAOYSA-N	410.882	5.044	30	20	HKED	
CCOc1cccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	60183367	NPEVDNZTXDLGCO-QGZVFWFLSA-N	402.519	5.599	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c(C#N)c1C	60538192	FRRSICRPEQADPL-UHFFFAOYSA-N	414.483	5.225	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21	60603280	RQSVOXNBHKQHDP-NRFANRHFSA-N	413.468	5.159	30	20	HKED	
COc1ccc(-c2nc(CSc3nc4c(c(C)c3C#N)CCC4)cs2)c(OC)c1	60716280	AWFLGNSIBVZIKV-UHFFFAOYSA-N	423.563	5.183	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3cc(F)ccc3F)c2)cc1	65073027	NNBLWZIUMDSKJA-UHFFFAOYSA-N	406.432	5.181	30	20	HKED	
CC(C)Oc1cccc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	66023931	UFVIQEYSBYSXHN-UHFFFAOYSA-N	414.505	5.300	30	20	HKED	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	97577525	VRQIKUMFHXOFNY-UHFFFAOYSA-N	401.466	5.500	30	20	HKED	
N#CCCSc1ccccc1NC(=O)COC(c1ccccc1)c1ccccc1	303279603	JQVCTJLSIZLRPB-UHFFFAOYSA-N	402.519	5.437	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H](C#N)c1ccccc1Cl	430806342	IARQPOBIZDHRFO-HNNXBMFYSA-N	420.683	5.605	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1	436328807	JWJSKXJEJNGTKW-IZZNHLLZSA-N	421.500	5.049	30	20	HKED	
Cc1cc(C(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)nn1-c1cccc(C#N)c1	439113761	DBRPITZOKATKCR-UHFFFAOYSA-N	418.806	5.001	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)o1	444260579	OTYDDJLEWDUZTQ-UHFFFAOYSA-N	412.493	5.976	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](COCc4ccccc4)C3)c2)cc1	460523562	WLLLMUUAACFBPT-JOCHJYFZSA-N	412.489	5.029	30	20	HKED	
C[C@H](C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1)c1cccc(C#N)c1	462039859	PBGDSNROAOVSDB-IBGZPJMESA-N	401.510	5.188	30	20	HKED	
CO[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(Cl)c1	464597836	YANRPQQVDYITBP-HXUWFJFHSA-N	422.937	5.480	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	468325730	DMKDQWFZZXRSPT-ZWSUVBHBSA-N	416.569	5.678	30	20	HKED	
C[C@@H](O)C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1	469512446	RPEPZHQLNFGUAJ-NQIIRXRSSA-N	415.493	5.027	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(C)c1	470536387	CFDCWCWEMALHIT-LJQANCHMSA-N	418.541	5.111	30	20	HKED	
C=CCN(C(=O)CCc1nnc(C2CCCC2)o1)c1nc(-c2ccccc2)cs1	471106890	LLUCANBBUDVTTK-UHFFFAOYSA-N	408.527	5.003	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1cccc(Cl)c1F	473428922	SCROAPYMTUKQBI-CQSZACIVSA-N	419.953	5.337	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	475567954	DWLWYCVVIRRLGN-GGAORHGYSA-N	413.512	5.384	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1Br	479936527	AJKXFSMCARCDBY-CQSZACIVSA-N	419.344	5.169	30	20	HKED	
CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1	480580612	ARQFRRPLHSKRAV-QFIPXVFZSA-N	417.465	5.111	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@@H]1CCc2ccc(F)cc21	481364960	BNHXJDBQEOLEIC-AUUYWEPGSA-N	400.544	5.437	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(F)c(C#N)c1	481688118	VOMWEHNQFFYMBX-UHFFFAOYSA-N	423.467	5.103	30	20	HKED	
Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cnn1-c1ccccc1Cl	482235179	ZXTPABWOVIQQEU-UHFFFAOYSA-N	418.909	5.687	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1	486489129	FJMVMUDDBPJHSZ-UHFFFAOYSA-N	409.555	5.625	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc(Cl)cc(Br)c1F)c1ccccc1	487358468	TTWHVRFEDLWSOL-INIZCTEOSA-N	409.686	5.407	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccccc1	487362814	WZSGOKWPKQVYNE-FQEVSTJZSA-N	407.420	5.317	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)cc1	488504451	LIURAGJERUQOGQ-HNNXBMFYSA-N	424.551	5.028	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3c(C(=O)OC)oc4ccccc34)o2)cc1	489748027	SVBLOCIHNABVAJ-UHFFFAOYSA-N	422.462	5.127	30	20	HKED	
CC(C)CC[C@@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	494214661	CBOAJFRPLZDGPX-KRWDZBQOSA-N	415.588	5.135	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)cc3Cl)cc(-c3ccco3)nc21	494633917	HCGKHDRSAMFSES-UHFFFAOYSA-N	405.845	5.050	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc2oc(C(F)(F)F)nc12	494668807	NCAPQVPSYIRVBF-UHFFFAOYSA-N	407.351	5.638	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)c1	500749897	ALADWYWBXBTYPT-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505871227	IYRSCSBLNGKKFK-UHFFFAOYSA-N	424.316	5.238	30	20	HKED	
CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cccc2ccccc12	509853084	KSOLAPVBIIFSPH-UHFFFAOYSA-N	401.485	5.120	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N	510179203	DAEUCUUTKJULPZ-UHFFFAOYSA-N	423.925	5.322	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510734437	UZYQKGVOLKYLHJ-MRXNPFEDSA-N	419.456	5.689	30	20	HKED	
N#CCCn1cc(/C=C/c2nc([C@@H](F)c3ccc(Cl)cc3)no2)c2ccccc21	512018486	YDWOMHCTTZSPPE-MAIVGLDJSA-N	406.848	5.821	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCC(C)(C)CCC#N	513109041	VSFAUHWOGUCNFA-KRWDZBQOSA-N	418.006	5.874	30	20	HKED	
C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cc(Cl)ccc1F	515757511	MGHKKQJQUXYVTL-OAHLLOKOSA-N	423.875	5.369	30	20	HKED	
Cc1ncc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	515795281	IBKPKPLBSUWZRY-UHFFFAOYSA-N	412.902	5.433	30	20	HKED	
CCN(C(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2s1	516459592	JHPKKYZDCJXHNL-UHFFFAOYSA-N	415.543	5.986	30	20	HKED	
Cc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(C)c(C)c1O	517344475	IAWPAWPYYDLJQQ-UHFFFAOYSA-N	411.933	5.088	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c1	518759847	UFKFCUVSMYVISN-VWLOTQADSA-N	404.941	6.096	30	20	HKED	
C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	521385107	HMZOAROOBREQDH-CQSZACIVSA-N	411.914	6.290	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccccc1)c1ccccc1	521733181	AMTPXPIAAVRHTO-FDDCHVKYSA-N	402.519	5.697	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)c1occc1COc1cccc(C#N)c1	522573224	ZDCQDCBUGFLDLZ-UHFFFAOYSA-N	420.465	5.170	30	20	HKED	
CC[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1c(C)noc1C	524460474	KYCBNEVXMNLWDL-IBGZPJMESA-N	407.445	5.014	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(C(F)(F)F)c1	524565966	LBGUIYUQNZFSNL-AWEZNQCLSA-N	407.461	5.621	30	20	HKED	
N#CC1(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCSCC1	535199263	CYIFNAWQWVSSHS-FQEVSTJZSA-N	416.999	5.068	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CCCCC4)[nH]n3)n2)cc1	535406698	FTFDYDHCWVSMGU-QGZVFWFLSA-N	406.511	5.080	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1	539127876	WLWLUVTVAKLGFU-UHFFFAOYSA-N	418.884	5.159	30	20	HKED	
Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1	539175818	VSDPAFRPHHJVBC-UHFFFAOYSA-N	423.538	5.282	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F	543892360	PBSPVBVWGSGOFJ-FXAWDEMLSA-N	413.468	5.446	30	20	HKED	
Cc1csc(Oc2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2F)n1	548387875	VKEGPWQFDSUFFS-UHFFFAOYSA-N	411.458	5.051	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1	549234487	IYYWNERUUILXOO-KXBFYZLASA-N	416.978	5.016	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C1CC1	551829745	MWSADZFIVZDTAP-INIZCTEOSA-N	415.497	6.039	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	553116443	WOVPZVDCIGSVFE-UHFFFAOYSA-N	422.577	5.132	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1F	554949927	KDYAQRHMKBVOND-LBPRGKRZSA-N	412.408	5.114	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)ccc1F	556446036	HCRASGQZVFOJKO-UHFFFAOYSA-N	410.836	5.311	30	20	HKED	
CCc1noc(-c2ccc(C)c(NC(=O)c3sc4ccc(C#N)cc4c3C)c2)n1	556559295	MRTDRPCIUKYKSH-UHFFFAOYSA-N	402.479	5.255	30	20	HKED	
N#Cc1ccc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)c(C(F)(F)F)c1	564410960	HZIOEZWTFANLFR-UHFFFAOYSA-N	416.447	5.597	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCC(C)(C)CCC#N	567098961	IXFWBXYPBOBGHM-ZDUSSCGKSA-N	406.393	5.862	30	20	HKED	
CCC[C@@]1(CO)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	571917067	GJXQWAPZLXZXGX-NFBKMPQASA-N	411.933	5.012	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2)o1	582199860	CFEYNLZATKEEMV-UHFFFAOYSA-N	407.473	5.379	30	20	HKED	
C[C@@H](OCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1	603689740	CUFUMKKWFMWUCJ-GOSISDBHSA-N	416.481	5.035	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690023	JBRYWYQCGOBOQK-AWEZNQCLSA-N	408.408	5.249	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C2CC2)o1	603877458	JZOYVUFQJNWEKF-IERDGZPVSA-N	416.477	5.251	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	604044303	GKODWFOJDQFFIJ-IBGZPJMESA-N	415.493	5.601	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2)cc1	608995796	HXTICYWJHJCUBV-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1Cl	609097242	VNDOPYHWZWTLAL-QFIPXVFZSA-N	412.880	5.433	30	20	HKED	
Cc1nn(-c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c(C)c1Cl	609376585	FYAXLOYEKYTJPU-CQSZACIVSA-N	424.957	5.647	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1N(C)c1ccccc1	609376920	LVGXELRFHRCOBA-GOSISDBHSA-N	401.535	5.959	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(Cl)c1Cl	609417015	AHCOZSSGDNCPPB-LBPRGKRZSA-N	413.688	5.995	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1	609573000	LNXHMTHMHYGBPY-IERDGZPVSA-N	421.932	5.656	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)NC(c3cccs3)c3cccs3)o2)cc1	609978571	PQAYLVMXQLNUTR-UHFFFAOYSA-N	420.515	5.373	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c[nH]c2c(C)cccc12	610153785	VHLMHMVVUZWCDM-UHFFFAOYSA-N	409.489	5.417	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C(C)C	611226810	NPVCJYBJQPRXIR-UHFFFAOYSA-N	418.501	5.365	30	20	HKED	
N#CC1(c2ccccc2)CCC(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1	611255109	SLRBBAGBSQTYDR-ZRLYVQOUSA-N	418.425	5.890	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccc2ccccc2n1	613292461	KUMXZDIGITWGPW-GOSISDBHSA-N	421.481	6.108	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)oc2c1C(=O)CCC2	614919704	AVSLIDNYNYQAFB-UHFFFAOYSA-N	402.475	5.058	30	20	HKED	
Fc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CCS2	675739507	XZSBRYBWSUQIDI-IUCKATPISA-N	401.391	5.862	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(F)c(F)c1	678659790	AFZWRTLGUCFHFO-HNNXBMFYSA-N	424.316	5.128	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	678768566	AMYRWDBMRJITOD-BQBZGAKWSA-N	424.719	5.649	30	20	HKED	
Cc1nn(C(C)(C)C)cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	680168300	ACEQSIDBWWBCOK-LBPRGKRZSA-N	406.433	5.065	30	20	HKED	
COc1cc2c(N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)ncnc2cc1F	681378255	TUSXYGRFGAOOTB-MYJAWHEDSA-N	411.321	5.099	30	20	HKED	
C[C@]1(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCCc2ccccc21	726327443	ALXLVPPIDYNSFA-WNSKOXEYSA-N	408.473	5.559	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(OC)c(NC(C)=O)c3)ccc21	726429018	RIGSIWQEZUTWHC-JLHYYAGUSA-N	412.489	5.678	30	20	HKED	
CC(=NNc1ccc(OCC(F)(F)F)cc1)c1c(C)nn(-c2ccccc2)c1C	727258210	YSKCBEVKDMVRIN-UHFFFAOYSA-N	402.420	5.266	30	20	HKED	
COc1cc(C=NOCc2ncc(-c3cccc(Cl)c3)o2)ccc1OC(F)F	727411188	ABLLOYVHXKQVMK-UHFFFAOYSA-N	408.788	5.156	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	727627609	HSAWQNGYMJNLSY-GOSISDBHSA-N	412.942	5.938	30	20	HKED	
C[C@@H](C#N)Oc1ccc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)cc1	727684746	LUVWPSAGJTYTHL-HNNXBMFYSA-N	414.962	5.462	30	20	HKED	
N#Cc1ccccc1NC(=S)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@H]21	727702277	ALIHBVBJSQSRNO-LPTQZCDUSA-N	401.539	5.137	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)NCc1ccc(OCC#N)cc1	727844846	PZFQSFDCJFGRTA-SFHVURJKSA-N	405.523	5.123	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CC3(Cl)Cl)cc2Cl)c1	728122053	VPBRVGXLOQOJLO-CQSZACIVSA-N	424.715	5.106	30	20	HKED	
C#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)nc1	728801099	MLOXBOLZRWMONC-UHFFFAOYSA-N	413.477	5.173	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3sccc3-c3ccc(F)cc3)CC2)cc1	728835351	ONUNGTVWQIUANX-UHFFFAOYSA-N	406.482	5.109	30	20	HKED	
Cc1cccc2c1CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C2	729559836	QNTNUQQHUATLKH-UHFFFAOYSA-N	411.505	5.230	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1	730080091	HGQPQCRFZKUEAP-SFHVURJKSA-N	402.404	5.408	30	20	HKED	
Cc1ccc(C)c(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	730955018	RYNWYHKUYQTUOB-UHFFFAOYSA-N	409.502	6.137	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCCCOCc3ccccc3)cc2)c1	731399966	JTXMZUQIASXFJH-UHFFFAOYSA-N	401.466	5.079	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)Cc1ccc(OCC#N)cc1	731980427	MQARKTKDHWSTLH-UHFFFAOYSA-N	420.440	5.019	30	20	HKED	
Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	734205199	CVDNXKFLOJSRAT-IZZNHLLZSA-N	409.533	5.890	30	20	HKED	
COc1cccc([C@@H](NC(=O)/C=C\c2ccccc2C#N)c2ccccc2Cl)c1	741605908	NJPIITQMYGXNSD-QDGLUTFLSA-N	402.881	5.139	30	20	HKED	
CCOc1cc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cc(Br)c1O	742438041	ZFLXBAOSTYZQQJ-DAVUEJTQSA-N	411.342	5.375	30	20	HKED	
COc1cc(/C=C/C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)ccc1O	743055567	FXZCQOHEQPHYNT-XVNBXDOJSA-N	403.265	5.098	30	20	HKED	
N#CCOc1cccc(NC(=O)NCc2ccccc2COc2ccccc2Cl)c1	743102227	DSVIVDKNMGZBDR-UHFFFAOYSA-N	421.884	5.143	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(OC3CCCC3)c(F)c2)cc1	743484960	UQTCANJLALZFIX-SFHVURJKSA-N	409.505	5.203	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H](C)c3cccc(C#N)c3)cccc2c1=O	743777742	YHRYBHBKFYFHMH-KRWDZBQOSA-N	408.457	5.131	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1F	743810642	GCFRVLNBNXQXDC-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)c(Br)cc1O	745990147	LUULKMZWGAUEGZ-SREVYHEPSA-N	410.267	5.121	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNc1oc(C(C)(C)C)nc1C#N	746497184	BPVIOLYVDQVISG-UHFFFAOYSA-N	417.300	5.091	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OC	746522947	NYLTYRMBQNHZPB-CJNGLKHVSA-N	421.324	5.103	30	20	HKED	
CN(Cc1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1)C(=O)OC(C)(C)C	748610298	JQAJDKVYHSFZTM-NRFANRHFSA-N	422.529	5.220	30	20	HKED	
Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1NC(=O)c1ccccc1F	748676874	DXPLNEUZLVFBJD-MRXNPFEDSA-N	402.425	5.176	30	20	HKED	
CC(C)Cc1ccc([C@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C2CC2)cc1	750880825	XSXLKCJQQCHKSN-GJZUVCINSA-N	424.548	5.163	30	20	HKED	
O=C(O)CCOc1ccc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cc1	750916994	QPEAQIKWSUGPLY-PTNGSMBKSA-N	404.434	5.067	30	20	HKED	
O=C1/C(=C/c2ccc(Cl)nc2)CC2(CCOCC2)C/C1=C\c1ccc(Cl)nc1	751516593	DTMPGMPWZPPHLV-BEQMOXJMSA-N	415.320	5.410	30	20	HKED	
C#CC[C@@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1	757059395	RERNBNDYMYGLKK-YADARESESA-N	411.505	5.064	30	20	HKED	
C=CC[C@@H](NC(=O)C[C@@]1(CC)OCCc2c1[nH]c1c(CC)cccc21)c1ccncc1	759113584	LATXKHYMYZPIPZ-ATIYNZHBSA-N	417.553	5.127	30	20	HKED	
Cc1nc([C@H](C)OC(=O)Cc2cccc(OCC#N)c2)oc1-c1ccc(Cl)cc1	760632763	MJIDACMFRAJQRK-HNNXBMFYSA-N	410.857	5.053	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1	762994062	LNPWWGZUMBTUGE-XMMPIXPASA-N	414.505	5.021	30	20	HKED	
Cc1sc(NC(=O)c2ccccc2SCC#N)nc1-c1ccc2c(c1)CCC2	763078325	YCATYYPWPPRKLA-UHFFFAOYSA-N	405.548	5.475	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)c2cc3ccccc3n2CC#N)oc1-c1ccc(Cl)cc1	763965224	HCVLLXAHLCLWRA-OAHLLOKOSA-N	419.868	5.700	30	20	HKED	
COc1ccc(/C=C2\N=C(SCC3(C#N)CC3)N(c3cc(C)cc(C)c3)C2=O)cc1	766782834	MOOFMPTVBMYJKF-BKUYFWCQSA-N	417.534	5.093	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccncc1	768365375	VRHMPUGWPZJKTK-OALUTQOASA-N	422.529	5.338	30	20	HKED	
Cc1cc(Br)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1	773026532	WANIPYQAYDCVOQ-UHFFFAOYSA-N	421.751	5.177	30	20	HKED	
COc1ccc(-c2ccncc2)cc1/C=C1/SC(=Nc2c(C)cccc2C)NC1=O	773905732	CLYCKMRTOQRUOJ-KGENOOAVSA-N	415.518	5.266	30	20	HKED	
CCC(CC)[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cccs1	775210558	HHIIAJCLBIOMDR-VGOFRKELSA-N	404.539	5.052	30	20	HKED	
COc1cc(Oc2ccccc2)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780604822	OVRFXQNTGSJQPU-MRXNPFEDSA-N	403.438	5.422	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782488196	RPDLBLMRSILXOU-HNNXBMFYSA-N	406.917	5.227	30	20	HKED	
Cc1cccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)c1	782523407	KENBQKXWYPBDKD-RTBURBONSA-N	408.505	5.996	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc2occc2s1)c1ccc(Cl)cc1Cl	787049269	KYDKWSVTWDBLLI-CABZTGNLSA-N	407.278	5.001	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	788092672	NFHDTSUETBFTOL-OEMFJLHTSA-N	412.489	5.101	30	20	HKED	
C=CCC1(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)CCC1	791562081	HUBPMJNAPURHDB-UHFFFAOYSA-N	411.112	5.528	30	20	HKED	
C#C[C@H](CCC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	791742955	XZMSGBZPFLINJD-YGAHKIJPSA-N	409.414	5.027	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c1	795363770	JRIQUJABJIKJJC-LBPRGKRZSA-N	411.741	5.750	30	20	HKED	
N#C[C@@H](C(=O)CN1CCC(c2cccc(Cl)c2)CC1)c1nc2ccccc2s1	796532808	GMEWVNGLDNTWNH-SFHVURJKSA-N	409.942	5.006	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c1C	798446730	ATBUKOULMVQFFV-CQSZACIVSA-N	412.415	5.122	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCCCCC2)cc1	801776019	FZRNIMNGHHKFSC-RPWUZVMVSA-N	402.542	5.371	30	20	HKED	
COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccn3)c2C)ccc1SC(F)F	802704644	ORKJJRRSRAAWTM-CMDGGOBGSA-N	415.465	5.104	30	20	HKED	
N#CCOc1cccc(NC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)c1	806211987	QNQUVKNVKLHTJI-UHFFFAOYSA-N	403.404	5.052	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)c(C(F)(F)F)c1	811624897	VUZMBUYYQBXKOQ-AUWJEWJLSA-N	410.467	5.040	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1F	812310769	CXHXBRVKHRDBIW-QGZVFWFLSA-N	423.435	5.115	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1F	817319170	LQUIMLWHXQRSGL-LJQANCHMSA-N	411.477	5.338	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc(-c3ncc4n3CCCC4)c2)c1	864026746	ARSTZRAIFRQDLG-UHFFFAOYSA-N	407.315	5.133	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	915105885	JFMPSJGRNRGZQA-RAXLEYEMSA-N	419.864	5.116	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cc1	916882670	JHXBQGHXUKYUAG-JQYPEGPJSA-N	424.884	5.568	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(CSc2ccccc2)cc1	916912250	ZRBMTKRRKCHCMK-IBGZPJMESA-N	420.921	5.593	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)ccc2c1	916915529	FCDSILRGNVINOW-ONDWKUSTSA-N	420.468	5.362	30	20	HKED	
CC(C)c1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928590	OHGCMNBLRKUNHJ-KRWDZBQOSA-N	403.309	5.397	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC2CCCC2)cc1	916930633	FBRLBGXGKCSCQY-QGZVFWFLSA-N	417.292	5.276	30	20	HKED	
FC(F)Oc1ccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	918721167	FDNRGSQCFGMCBB-IUCAKERBSA-N	422.341	5.048	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2ccccc2n1	920106074	JUDYDMHFAMAAPV-MRXNPFEDSA-N	401.318	5.651	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1	1787335655	XVXZNQRRTVMAQW-HXUWFJFHSA-N	423.582	5.276	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C4CC4)cc3)cc2)CCC1	1790784605	OYHFACFZWPEGJO-UHFFFAOYSA-N	400.522	5.115	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3CCC(F)(F)CC3)C2)CC1	1805751891	XCJZYLRZCVYCFT-UHFFFAOYSA-N	424.576	5.036	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1829068771	PKVXHCFFGOLUAI-QFIPXVFZSA-N	402.623	5.345	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC(C)C)cc3)CC2)C1	1830692802	NIYMMJDFEOUEQR-VWLOTQADSA-N	422.613	5.085	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2ccccc2)nnc1-c1cccnc1	8472235	NJHSOJHIHSZYEE-UHFFFAOYSA-N	400.507	5.611	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1cc(C)cc(C)c1	10172582	IQYLKKBWHVFRKI-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O	10310731	YLCWNQPXIPENBT-IBGZPJMESA-N	420.559	5.137	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1cc(C)ccc1C	22729647	RVAHVRLTZNTBSA-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(-c4ccccc4F)on3)c2)c1	32291314	CQIFJZRNFHXMBG-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccc(Cl)cc1	32857136	XEKFIPCMHOSPRI-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	47185046	BJUYFVWXMARQBW-UHFFFAOYSA-N	413.477	5.047	30	20	HKED	
COc1ccc(CN[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1OCCCC#N	64614571	FAVUHARMYIJOCE-VWLOTQADSA-N	420.940	5.910	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)c1C#N	65874487	UYWQIKZMYPLWKJ-LLVKDONJSA-N	405.445	5.062	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCc3occc32)cc1	97463759	SXKGIQBQFOYDON-JOCHJYFZSA-N	401.466	5.124	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)cc2)c2ccccc2)cc1Br	237358587	MLLTWVIMFRQRLH-JOCHJYFZSA-N	407.311	5.209	30	20	HKED	
C[C@H](Nc1ncc(Cl)c(N[C@H](C)c2ccc(C#N)cc2)n1)c1ccc(C#N)cc1	301692656	LIZOLVNKKGNFMG-CABCVRRESA-N	402.889	5.220	30	20	HKED	
CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	303377428	UZMHESZRFYLGRF-QZTJIDSGSA-N	410.539	5.008	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H]2CN2CCCCC2)c1	303683293	SNFPIJKAHGEZOQ-IBGZPJMESA-N	423.944	5.094	30	20	HKED	
Cc1nc(SCC(=O)Nc2c(F)cccc2Oc2ccccc2)c(C#N)c(C)c1C	410032213	AWRZVAKIHDVENY-UHFFFAOYSA-N	421.497	5.541	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)c(C)c2c1	431927328	QUXFTVGAWHRVEW-LAUBAEHRSA-N	405.498	5.545	30	20	HKED	
CN(Cc1cc(F)cc(F)c1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	434166725	FNTOLJUMCLWDTN-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)n1	435138545	KKIIOELFOUAHRV-UHFFFAOYSA-N	413.525	5.129	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCc4cccnc43)cc2Cl)cc1	435500828	MJHBVQDUFNZNTC-LJQANCHMSA-N	403.869	5.458	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1	438218586	XKZZFNWPNGTCJZ-QGZVFWFLSA-N	415.493	5.467	30	20	HKED	
Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438666667	VLNSSCDZLQXOQT-FQEVSTJZSA-N	404.445	5.197	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1	438689969	YPLTVENDMLVWRK-UHFFFAOYSA-N	419.431	5.335	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC(=O)c1cc(Cl)sc1Cl	446236362	VNERUYICEJTTAQ-JKSUJKDBSA-N	421.349	5.316	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3c(O)c(Cl)cc(Cl)c3Cl)on2)c1	447564627	YHRKIHIRRCCLNH-UHFFFAOYSA-N	408.628	5.131	30	20	HKED	
Cc1sc(NC(=O)[C@@H](C)c2cccc(C#N)c2)nc1-c1ccc(OC(F)F)cc1	461798571	OADCRVQSDYQAFK-LBPRGKRZSA-N	413.449	5.334	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccccn3)no2)cc1Cl	462110847	JUNOXSYLJPQRNH-SFHVURJKSA-N	414.852	5.298	30	20	HKED	
C=CCN(C(=O)c1ccc(C(C)C)cn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	463100370	VGCOFSVMSIIRCG-UHFFFAOYSA-N	408.483	5.070	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H](C)c1cccc(C#N)c1	463256811	GACVAIOEIWNZMO-LLVKDONJSA-N	407.695	5.115	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(CSc3ccccc3)cc2)CCC[C@]12CCCCO2	468663071	VLZWKIFBNPNLPW-LADGPHEKSA-N	406.551	5.046	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCCc3sccc32)cc1	468731071	YXPDUNSMNUHXMA-FQEVSTJZSA-N	404.560	5.719	30	20	HKED	
C[C@H](N[C@H](C)c1nnnn1C1CCCCC1)c1ccc(-c2cccc(C#N)c2)cc1	469240914	LNPYNDMUGHUOQY-ZWKOTPCHSA-N	400.530	5.129	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)cc1	469463455	VXCFHKLWMKCMKU-FQEVSTJZSA-N	415.459	6.266	30	20	HKED	
CCC1(CC)Oc2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2O1	470571288	XCXXLQBSHLMXGH-UHFFFAOYSA-N	403.482	5.167	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C	471158440	YZSVMMDVIJDXEV-UHFFFAOYSA-N	403.530	5.224	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NC(=O)N(C)C)c1C	471342886	ZWPISXWTADKFFV-UHFFFAOYSA-N	406.939	5.024	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(-c2ccncc2)cc1	472729084	QIBYJHDDSIDMTH-AWEZNQCLSA-N	408.408	5.104	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccccc1N1CCOCC1	475543306	COOBATQFXRVOCN-UHFFFAOYSA-N	407.558	5.039	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccc(CC)cc2)CC1	475572334	IVRTVVNVOQSGBO-UHFFFAOYSA-N	419.569	5.091	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)CNc1ccccc1	476634281	LCARTDRQPIJXPW-LJQANCHMSA-N	414.509	5.068	30	20	HKED	
CN(Cc1ccc2ccccc2c1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479150298	BYLYSOCBVNUTMV-UHFFFAOYSA-N	413.521	5.243	30	20	HKED	
CN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1cc(Cl)ccc1C#N	479577354	TUXGEYQEDWDLPN-UHFFFAOYSA-N	408.335	5.256	30	20	HKED	
C=CCn1c(SCc2noc(Cc3ccccc3C)n2)nnc1-c1ccc(C)cc1	481393746	ZOEBLEUWHGPSMD-UHFFFAOYSA-N	417.538	5.014	30	20	HKED	
Cc1c(C(=O)Nc2nc3c(cc2C#N)CCCC3)sc2nc(C(F)(F)F)ccc12	484156343	GZYIPBHWCGAXIW-UHFFFAOYSA-N	416.428	5.021	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4ccsc4)CC3)c2)cc1	485701414	JUTMUFDTCDWVJA-UHFFFAOYSA-N	402.519	5.219	30	20	HKED	
CSc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1[N+](=O)[O-]	486209826	KRDDNWFPZOHTBR-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cc(C#N)ccc5OC)(C4)C2)C3)cc1	494139231	ALUNBUDUTPAWRM-JKRLWXMKSA-N	416.521	5.052	30	20	HKED	
Cc1cc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C)s1	498045856	IVFOCPQFKPPHFK-QGZVFWFLSA-N	406.555	5.250	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	498138220	RTBAVKLIJRXKER-LJQANCHMSA-N	417.509	5.033	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1c[nH]c2ccccc12	500121160	JXPMSCFSRXMHKP-UHFFFAOYSA-N	415.306	5.217	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)CCCc3nc4ccccc4s3)n2)c1	501133462	VZJFJUJPMQMSTQ-UHFFFAOYSA-N	404.520	5.253	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4cccc(Br)c4)no3)cc2)nc1	505055603	QYJCQDARNQPYCD-UHFFFAOYSA-N	419.238	5.225	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1OCc1cscn1)c1cccc(Cl)c1Cl	505346361	VZEAGNDSVOLDNS-MRXNPFEDSA-N	418.305	5.024	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-n3ccc(C)n3)cc2)cc1	505702627	CKEGRCDVSPKGNV-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CCC[C@@]12CCCCO2	505839964	VNFYUCUKUXUNEX-KNQAVFIVSA-N	423.563	5.092	30	20	HKED	
N#C[C@@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)c1ccccc1F	505932842	BTDVFFOVFBLOPX-GOSISDBHSA-N	422.506	5.920	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCc4c3cccc4[N+](=O)[O-])cc2)cc1	513838158	LYDSUJBOLWFJHY-UHFFFAOYSA-N	413.433	5.046	30	20	HKED	
CCO[C@@H](c1noc(CCc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F	516115871	GOUBXGDPTZVVDI-LJQANCHMSA-N	419.378	5.010	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	518738950	GWMHTIICOUJPIX-GJZGRUSLSA-N	406.473	6.232	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1	521153665	HEWWQYMZSGQOPM-OAHLLOKOSA-N	416.955	5.225	30	20	HKED	
COc1cc(CSCC(=O)Nc2ccccc2)ccc1OCc1cccc(C#N)c1	522629423	MMSAZGQNMPFXLR-UHFFFAOYSA-N	418.518	5.018	30	20	HKED	
CCc1c(C)sc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1C#N	524105417	CBFKRYLOEWHVBN-UHFFFAOYSA-N	401.944	5.828	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	525457964	LYWLAWYANHOQCS-PMACEKPBSA-N	416.443	5.245	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](C3CCOCC3)C2)cc1Cl	532852300	KFWAJGBFUSAERC-SIKLNZKXSA-N	423.944	5.276	30	20	HKED	
C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1	533532329	FVDSSRFEDLQCBD-AWEZNQCLSA-N	402.325	5.277	30	20	HKED	
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(C(=O)c2ccccc2)c1	534176749	WETLBBJLSCYKRE-OAHLLOKOSA-N	400.503	5.082	30	20	HKED	
COc1cccc(OC)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	536419519	IPKBHHLHGLLVEC-GOSISDBHSA-N	406.869	5.265	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(OC2CCCCC2)c1)c1nc2ccccc2n1C(F)F	536766072	CQQUYBIGIDUSNH-MRXNPFEDSA-N	410.424	5.028	30	20	HKED	
CCCc1nc2ccccc2n1CCC(=O)Nc1ccccc1S[C@H](C)CC#N	537641937	INWNZPPYBZHTEP-QGZVFWFLSA-N	406.555	5.412	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(-c2ccccc2C#N)cc1	540809175	SYFOIIFQDYELQP-UHFFFAOYSA-N	406.533	5.377	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nn1[C@H](C)C1CC1	543156320	WWKYBTHUVIPGDH-OAHLLOKOSA-N	404.445	5.218	30	20	HKED	
C=C(C)[C@@H](Cc1nc(-c2cnc(Oc3ccc(Cl)c(CC)c3)cn2)no1)OCC	547219445	BFQLKKFSKKTPTC-GOSISDBHSA-N	414.893	5.058	30	20	HKED	
Cc1c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)csc1Br	547865635	AELMVPJATXDPMW-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCc1ccccc1Br	548949989	BNITYESKMGFTJL-UHFFFAOYSA-N	415.718	5.230	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	548955622	LKLJSDVQPZYUMG-RHSMWYFYSA-N	411.493	5.667	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1	554165681	KBZPAIUECGFLFZ-UHFFFAOYSA-N	419.529	5.570	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1	554837020	KPQBURKVRNIPFE-PZJWPPBQSA-N	420.900	5.003	30	20	HKED	
C=CCOc1ccc(CNc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)cc1OC	556338303	LUUOMPSRHVYBQN-UHFFFAOYSA-N	416.949	5.444	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccc([N+](=O)[O-])c1	559374601	BSCSUPDQYMMRRM-AWEZNQCLSA-N	405.385	5.140	30	20	HKED	
C=CCN(Cc1nc(O)c2cc(-c3ccccc3)sc2n1)Cc1ccccc1F	560064445	GSHWTRXBDOZTJE-UHFFFAOYSA-N	405.498	5.391	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl	561161802	JRSFGKPPVSOBOG-UONOGXRCSA-N	422.381	5.534	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(COC2CCCCC2)c1	562122379	XNEBZFGLUZPYMB-UHFFFAOYSA-N	424.589	5.924	30	20	HKED	
CC(C)(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cn1	576375158	SKFJNSXRRKGYFB-UHFFFAOYSA-N	408.449	5.051	30	20	HKED	
C[C@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccccc1	582579351	ADEXHXOEGAVHRR-MRXNPFEDSA-N	411.962	5.010	30	20	HKED	
N#CCn1c(C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc2ccccc21	586866661	ZBSAGSJRWYFWQZ-UHFFFAOYSA-N	411.427	5.236	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1	586916278	RMHTUNAOECQKJL-QHCPKHFHSA-N	412.493	5.049	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(Oc2cccnc2)cc1	589940094	USAULBCCXZFOIN-ZDUSSCGKSA-N	412.276	5.543	30	20	HKED	
C=CCOc1ccccc1CN[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1	600796850	CATYKVFFQUGHKV-RUZDIDTESA-N	416.521	5.038	30	20	HKED	
C[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	603656371	QHZSRLLKGQFEQN-QGZVFWFLSA-N	410.949	5.052	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(Cl)c(OC)cc1OC	606758018	UTGTZYCPFFSMJK-UHFFFAOYSA-N	415.795	5.193	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	607064321	NTGLAEVXHATSRB-JTQLQIEISA-N	401.372	5.280	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1	608920193	CWICNXYICXHGPN-UHFFFAOYSA-N	423.520	5.017	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)o2)cc1	609054591	ZPFODKNZYMMRAU-UHFFFAOYSA-N	408.457	5.573	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1	609507442	JHNNYKXXGSZICN-UHFFFAOYSA-N	403.438	5.236	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl	609816357	IYNNONXVBPBVJF-ZDUSSCGKSA-N	408.285	5.360	30	20	HKED	
C[C@H](S[C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(Br)cc1	609825764	SCQVJBPMJCTNJA-GJZGRUSLSA-N	417.372	5.162	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[C@@H]1c1ccccc1	610320276	VLNUXBCCXHVRSC-JPYJTQIMSA-N	412.493	5.403	30	20	HKED	
COc1ccc(NC(=O)[C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Cl	610346281	RPHCCXGXXJAATE-MWTRTKDXSA-N	419.912	5.251	30	20	HKED	
Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	611301625	HIDZFJWMACFNLV-UZLBHIALSA-N	404.901	5.582	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1	611502296	KRZDEBVBXMBGFA-IBGZPJMESA-N	423.472	5.512	30	20	HKED	
CC1=NN(c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)CC1	613320081	UVPPABTYDFJXNB-IBGZPJMESA-N	420.925	5.540	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)cc(Br)c1)c1nc2cc(Cl)ccc2s1	613407367	RQVREDALQAMQIK-GFCCVEGCSA-N	409.667	5.341	30	20	HKED	
COc1ccc2occ(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1	669600326	FLSQOQJSLPXHJS-ZDUSSCGKSA-N	416.380	5.560	30	20	HKED	
C#Cc1cccc(N2C(=O)/C(=C\c3csc(-c4ccsc4)n3)SC2=S)c1	726626874	MARSYQAERRVNDY-CXUHLZMHSA-N	410.570	5.259	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CSc1ccc(C#N)cc1	728679475	DYEAARKIMATDLL-UHFFFAOYSA-N	410.539	5.079	30	20	HKED	
Cc1nc(/C=C2\COc3ccc(F)cc32)sc1C(=O)/C=C1/COc2ccc(F)cc21	729149517	ISMKQJANJCEKTN-SBLPDQQFSA-N	423.440	5.321	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730417684	PKBQRNBXVNYVPP-ONGXEEELSA-N	409.269	5.386	30	20	HKED	
CC(C)(C)CN(CCC#N)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	731848886	XIYRUUQNLWJOCL-UHFFFAOYSA-N	411.160	5.500	30	20	HKED	
N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc(-c2ccncc2)cs1	734081791	RPJNTFWYVHGSQN-ZDUSSCGKSA-N	420.346	5.480	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccncc1	734459299	GGMFPZFWGKUJTD-QGZVFWFLSA-N	400.450	5.459	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	735001461	XDRMRMIQRINPNF-UHFFFAOYSA-N	421.840	5.435	30	20	HKED	
O=C1/C(=C/c2nccs2)CCc2nc(-c3ccccc3Br)sc21	735232354	NBPJWZAOJDKPOG-MDZDMXLPSA-N	403.326	5.242	30	20	HKED	
C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1-c1ccc(Cl)cc1	739629766	IVFSLCUZWWJJBJ-KRWDZBQOSA-N	404.897	5.329	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=S)Nc2ccccc2C#N)cc1	741506247	CDTGKGDWYHWCSV-QGZVFWFLSA-N	401.535	5.624	30	20	HKED	
Cc1cccc(C2(O)CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1C	743145743	DWIGNMSCCUBQSU-SFHVURJKSA-N	423.582	5.213	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1	744034017	YECSPFDMBJPYNK-FOSCPCJNSA-N	422.337	5.108	30	20	HKED	
COc1ccc2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c(C)c2c1	744038150	NZSXBCFBPDCOMO-AWEZNQCLSA-N	411.433	5.453	30	20	HKED	
CC(C)(C)c1nc(C#N)c(NN=Cc2cccc(NC(=O)c3ccccc3Cl)c2)o1	746497800	MDSTUHUQMBGKIZ-UHFFFAOYSA-N	421.888	5.195	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2[C@@H](CC)c2ccccc2)c1=S	746709663	ASHCNKOBTIJLOA-FCHUYYIVSA-N	419.598	5.278	30	20	HKED	
C/C(=C/c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	759214595	YVAAVBVKNACOCR-QIENPNARSA-N	407.684	5.398	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	760195161	IRAOXDBYBAPKJU-WFASDCNBSA-N	415.827	5.170	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(C)c1	761850743	NSTVTJYKVTUFRP-VGSWGCGISA-N	409.555	5.363	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1	762213712	JZIXEVPKBOESRQ-NHCUHLMSSA-N	403.869	5.251	30	20	HKED	
O=C(/C=C/c1cc(Cl)ccc1OC(F)F)c1cc(Br)ncc1F	762424254	GJSCIJSNTWAWIE-HNQUOIGGSA-N	406.585	5.134	30	20	HKED	
Fc1ccc(Oc2ccccc2C=Nn2c(S)nnc2C(F)(F)F)c(Cl)c1	763406723	HPDNJCRPMQEDSD-UHFFFAOYSA-N	416.787	5.053	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1	766376502	WQJCHYUMHRHZPP-DOMZBBRYSA-N	404.885	6.095	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)C1	766636937	IQZOMYGESXKGAQ-NJAFHUGGSA-N	402.535	5.767	30	20	HKED	
O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)cn1	774131234	PIIGDHVZSBVKLY-LBPRGKRZSA-N	415.236	5.162	30	20	HKED	
C#CCOc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	775938705	CRZTUMVEYJPJCQ-UHFFFAOYSA-N	416.424	5.022	30	20	HKED	
COc1ccc(-c2cc(C(=O)OCCC(C)(C)C#N)c3ccccc3n2)cc1OC	776356578	JKZQIFURGPUBOS-UHFFFAOYSA-N	404.466	5.016	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)C1(c2cccc(Br)c2)CCCC1	780149000	NIZLIYWYLBQXAZ-HNNXBMFYSA-N	413.315	5.190	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1	781033879	CLFBZYXWFZEZSH-ZDUSSCGKSA-N	405.281	5.276	30	20	HKED	
Cc1nn(C)c2nc(Cl)c(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc12	782382560	DOWMOEFPKCWXJZ-OAHLLOKOSA-N	415.928	5.320	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1	787045341	IZEWRBQADIKPSW-VXKWHMMOSA-N	410.473	5.105	30	20	HKED	
COc1cc(C(=O)/C=C/c2c(Cl)cccc2SC(C)C)ccc1S(C)(=O)=O	787479045	QBRQKECAHGKAPR-MDZDMXLPSA-N	424.971	5.149	30	20	HKED	
CC(C)CCOc1ccc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccncc2)cc1	788348866	DOWTXVAQASCHEX-TWGQIWQCSA-N	414.509	5.180	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CCC(CC(F)(F)F)CC2)c1=S	789528300	DCFHJDBYPUGEBE-UHFFFAOYSA-N	410.509	5.197	30	20	HKED	
CC(C)O[C@H](C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1	793004852	PHHXYKXCCCIDKV-HSZRJFAPSA-N	423.538	5.051	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	796633892	QEJFLZSDEPIKOG-OAQYLSRUSA-N	423.472	5.241	30	20	HKED	
Cn1cc(Oc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cn1	800843626	CJVPJGFQNBTULU-HSZRJFAPSA-N	408.461	5.120	30	20	HKED	
C[C@H](NC(=O)c1cc(F)c(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F	804194647	UNSPFDVWHDTWAE-QMMMGPOBSA-N	419.300	5.219	30	20	HKED	
C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccccc1-c1ccccc1C#N	814135831	PKVJYMXHKYTXAL-SFHVURJKSA-N	421.541	5.039	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4cccc(Cl)c34)n2)cc1	815911080	QOGYKUNNRZUGLD-MRXNPFEDSA-N	405.910	5.672	30	20	HKED	
C=CCCC[C@@H](C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1	883982968	REZSUAYHQNQGPS-XVAXZDLZSA-N	408.508	5.048	30	20	HKED	
CN(Cc1ccc(Br)o1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915354252	YIPNJWHTGULHCB-LJQANCHMSA-N	424.298	5.361	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNc1ccc(C(F)(F)F)cn1	915918319	JRKNIZMBOSXEFP-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc(Cl)cc3)c2)cc1	916025803	JFGQOLQRFOFTSM-UHFFFAOYSA-N	407.926	5.794	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1F	916136390	LLBFBEOOXQZKTN-DHZHZOJOSA-N	414.263	6.281	30	20	HKED	
CN(Cc1cccc2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916678921	FNLNZNKCHWWJBT-SANMLTNESA-N	405.501	6.159	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC(F)F)cc1	916905324	NAMQODAEXFKTTJ-GOSISDBHSA-N	422.387	5.041	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2c1C	916906470	UBHUDALDDLGREF-OAQYLSRUSA-N	423.472	5.538	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1	916913113	MXLIPUFICGKSTG-DEOSSOPVSA-N	424.500	5.226	30	20	HKED	
N#C[C@@H](C(=O)CSCc1cccc(Cl)c1)c1nc2cc(Cl)ccc2s1	917043054	GGYAXFGNCKTTEH-AWEZNQCLSA-N	407.347	5.713	30	20	HKED	
O=C(/C(=C\c1cnc(-c2ccccc2)nc1)c1nc2ccccc2s1)c1ccccc1	917143113	BNYGHPONCZVJJT-RCCKNPSSSA-N	419.509	6.177	30	20	HKED	
FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2cc(Cl)cc(Cl)c2)cc1	917537713	PIUFWSWRYAXZHR-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccccc1-c1ccccc1	917878695	AIMBHDSQOJLNAJ-HSZRJFAPSA-N	402.494	5.012	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCSc1ccc(Cl)cc1	920106716	YUEKTPOCGMQFGF-GOSISDBHSA-N	410.926	5.594	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1	1785842451	SZICMUOYTHFBIB-UHFFFAOYSA-N	408.542	5.257	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C)cc2)CCC1	1787342599	VRGGQHUANSZRJG-UHFFFAOYSA-N	406.526	5.413	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1828829572	DTSAUELXJXZPNZ-XZOQPEGZSA-N	414.634	5.345	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1	1830424265	YONMYQHJQNPAKU-NZQKXSOJSA-N	416.650	5.425	30	20	HKED	
Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1[N+](=O)[O-]	16408879	BWCIBUPSEAFSIM-ZRDIBKRKSA-N	420.852	5.705	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(CC)cc2)cc1	22696277	IDRNVCFJXXACGF-UHFFFAOYSA-O	423.533	5.125	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1	41542029	UWYBRWWSDLHXBK-IBGZPJMESA-N	409.470	5.482	30	20	HKED	
Cc1ccnn1-c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	64714764	JEDKLQFGGWUPNE-MRXNPFEDSA-N	420.444	5.073	30	20	HKED	
CCn1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c2ccccc21	65504426	KRDNXMIIFMBNCG-UHFFFAOYSA-N	408.461	5.037	30	20	HKED	
N#CCCn1cc(CN[C@H]2CCCc3cc(OC(F)F)ccc32)c(-c2ccccc2)n1	237919217	RCXGJAGYSXAOQY-QFIPXVFZSA-N	422.479	5.232	30	20	HKED	
N#CCCn1cc(C(=O)COc2ccc(Cl)cc2Br)c2ccccc21	255940898	ZSBQARXHRNYMSK-UHFFFAOYSA-N	417.690	5.233	30	20	HKED	
CN(CCOc1ccccc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	301199137	QBXCUGWPVYMUMN-UHFFFAOYSA-N	402.519	5.002	30	20	HKED	
COc1cc(OC)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1Cl	303648182	SSCDETUSDWKVMX-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)Nc1ccc(C#N)cc1Cl	426149287	NCRKDFVBNVISER-UHFFFAOYSA-N	411.914	5.516	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)n1	430518167	CIZKZPYZKAAZKF-NSHDSACASA-N	420.321	6.027	30	20	HKED	
COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1	430714989	NUNQZMRCFHGSBN-INIZCTEOSA-N	414.958	5.059	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1	431219732	YNBGEQSPWMGNQH-WBVHZDCISA-N	414.962	5.135	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCO1	438525163	YHMCCAOKPQUQAY-UHFFFAOYSA-N	419.403	5.012	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](CCC#N)c3ccccc3)c12	439656180	QQFWVVWRKTWRCC-HXUWFJFHSA-N	415.541	5.147	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccccc2)C(C)C)cnn1-c1cccc(C#N)c1	439669159	OVWGTMSPVFWPCT-UHFFFAOYSA-N	401.514	5.139	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc(C(F)(F)F)cc1	441534016	JIJWSNJTANPJGI-VQTJNVASSA-N	403.448	5.654	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1	441541845	LHYUSIDMOFWBOE-HXUWFJFHSA-N	401.432	5.426	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1	446625264	QYFKLFNRLLKSSN-PGRDOPGGSA-N	423.582	5.113	30	20	HKED	
CSCc1cc(F)ccc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	446853931	XTHVUYIDJIZJGW-AWEZNQCLSA-N	403.548	5.262	30	20	HKED	
CCN(C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@@H]1CCOC(C)(C)C1	460878701	FOISSZLXHOLKCG-WZONZLPQSA-N	405.542	5.275	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(N4CCC[C@H](C)C4)c3)n2)cc1	464191952	KOLKCEOJSVPAOH-PXNSSMCTSA-N	416.550	5.240	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)c(C)c1	464411634	QJFJVNKXDGSTQV-OAHLLOKOSA-N	401.413	5.331	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C)Oc1ccccc1F	466167183	OENHZGNEPFBTKX-KRWDZBQOSA-N	419.456	5.387	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O	466619077	WADXXVYUPCEDOJ-CYBMUJFWSA-N	424.913	5.139	30	20	HKED	
O=C(NCC1(C(F)F)CC1)Nc1cc(C(F)(F)F)ccc1SCC(F)F	467935144	JOTAPWXQWPWLAA-UHFFFAOYSA-N	404.351	5.229	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	471380145	DGCOMCAWQDOZGA-GFCCVEGCSA-N	417.296	5.875	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1	472046438	DIVMAQDYHARJKV-UHFFFAOYSA-N	409.917	5.591	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C)[C@H]1c1cccc(F)c1	472311885	BBUWYWGUMSKRBV-QZMQVMSPSA-N	411.546	5.099	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cn(C)c2ccccc12	475606343	KIZKIXIQJOKYNP-IBGZPJMESA-N	423.516	5.566	30	20	HKED	
C=C(C)[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(F)c(F)c1	475689284	HWXJXOKUOQCANF-QFIPXVFZSA-N	416.855	5.639	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1c[nH]c2cccc(Br)c12	476131402	CTZXQRXWERSKOC-UHFFFAOYSA-N	411.343	5.964	30	20	HKED	
C=CCn1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccccc1OC	477434216	SPGSNSUDNOAFIS-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
C=CCn1c(SCC(=O)c2c(C)noc2C)nnc1-c1ccc(C(C)(C)C)cc1	479207505	DTWAJXZWQPFTGM-UHFFFAOYSA-N	410.543	5.008	30	20	HKED	
CC(C)c1csc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	479685033	KTAAZYMWQWUOBI-UHFFFAOYSA-N	422.529	5.189	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C	480045061	NUHVHBHQJRRKII-HNNXBMFYSA-N	404.470	5.087	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N	480541252	OVTZMRATNMJEEV-SIFCLUCFSA-N	417.962	5.489	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1	480559927	UHZRVVAGKBSZSO-UHFFFAOYSA-N	405.951	5.068	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1	481116672	WLMSBGUXGWHRMV-HXUWFJFHSA-N	418.537	5.080	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccccc3)n2)nnc1-c1cccc(OC)c1	481394140	TVACYXIHGDNKQG-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1	481682120	FDHBNTJLPUENCQ-UHFFFAOYSA-N	409.486	5.310	30	20	HKED	
Cc1c(C(=O)N(Cc2ccco2)c2ccccc2C#N)cnn1-c1ccccc1Cl	482370591	QMLHHEMRXLMLIO-UHFFFAOYSA-N	416.868	5.146	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2csc3cc(C)ccc23)c1C#N	483125600	AFXPUTJYPFWYKI-UHFFFAOYSA-N	404.520	5.241	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)c2)cc1	486477550	ZSEFCEDOHBIBOZ-JOCHJYFZSA-N	412.445	5.057	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	488014196	LYCIUKDXBKARNA-VQTJNVASSA-N	418.434	5.595	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(O)c3ccccc3n2)nnc1-c1cccc(Cl)c1	489641546	NWDFESFZHOOQEW-CYBMUJFWSA-N	423.929	5.287	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cnc2ccccc2c1C(F)(F)F	490283820	FRHQHRHTNFJKQS-UHFFFAOYSA-N	418.268	5.386	30	20	HKED	
COc1ccccc1-c1ncc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1	491307120	FQMHZMZLWWYPNH-LJQANCHMSA-N	420.516	5.542	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1	495546127	HJQLIOPQYWGHSI-SFHVURJKSA-N	419.550	5.016	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccc(C)cc2)o1	497488185	DUVZLRWACCPFCG-UHFFFAOYSA-N	400.931	5.512	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1	498290287	ZDHDTGNKCKIGNU-UHFFFAOYSA-N	415.946	5.039	30	20	HKED	
N#C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1	499405465	FTCIAZGWPWHFQT-OAQYLSRUSA-N	405.295	5.040	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Br)cc1	499441416	GOVMTWCGAKHJEJ-OAQYLSRUSA-N	403.279	5.015	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OCCC)c(OC)c1	502670974	RGCDYWPTKCQLMI-OAHLLOKOSA-N	422.978	5.658	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1	505185909	SSCHFZWVGZYCCR-LOSJGSFVSA-N	412.489	5.160	30	20	HKED	
COc1cccc(C2(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)c1	506633927	YTIGUKYQEUUVFO-UHFFFAOYSA-N	412.489	5.011	30	20	HKED	
CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1ccccc1C#N	508077777	JOFKKPNJSWTJJQ-UHFFFAOYSA-N	415.543	5.616	30	20	HKED	
COc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c(C(F)(F)F)c1	509725701	BVEJPGKEDAVWJW-HNNXBMFYSA-N	424.316	5.668	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCCCCC4)cs2)o1	515448543	BJAKHWXJCZBOEH-UHFFFAOYSA-N	411.552	5.485	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc3c2OCO3)cc1Cl	516470092	YHGIFXXCFZJJSA-LJQANCHMSA-N	419.868	5.046	30	20	HKED	
C=CCn1c(SCC(=O)N(C(CC)CC)C2CC2)nnc1-c1ccc(Cl)cc1	517452559	BSHKWUWESCFVJH-UHFFFAOYSA-N	418.994	5.056	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-]	518740257	RIIWYPFAVPXCDH-QWHCGFSZSA-N	419.890	5.048	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1	520324163	GMHGKDVIOQRMRA-INIZCTEOSA-N	417.896	5.765	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	521068859	ODXVJPDXFMGRCE-OAQYLSRUSA-N	415.537	5.162	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1Br	521811260	ACVMFLOEZHTZMG-ZDUSSCGKSA-N	404.333	5.165	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)c2)cc1	523128450	XTZOTFGVRKIRKP-DEOSSOPVSA-N	413.477	5.112	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)c(C#N)c3)c12	524316050	IUAOMROJXGOBDC-UHFFFAOYSA-N	406.829	5.384	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccc(F)cc1	525004087	VMNCQGNMPDWWQS-HNNXBMFYSA-N	421.501	5.097	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21	533487555	FOXDGDKSRBDQOE-HTAPYJJXSA-N	405.567	5.171	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)Cc1ccccc1F	534488352	ITFJGKWYFUZSHZ-UHFFFAOYSA-N	423.557	5.717	30	20	HKED	
CC[C@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1ccc(OC)cc1	537041201	UHUXKXCFPSUSIS-DEOSSOPVSA-N	416.521	5.395	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1	542135358	OKBQSBLNBOWVIA-QRQCRPRQSA-N	413.974	5.271	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4CCC(CC#N)CC4)cc3)sc2c1	542882269	WFGKUUFDQZDLOH-QGZVFWFLSA-N	418.566	5.224	30	20	HKED	
COc1cc(C[S@](=O)Cc2ccc(F)cc2C)ccc1OCc1cccc(C#N)c1	547809986	YXQYQDOBSITDAW-PMERELPUSA-N	423.509	5.042	30	20	HKED	
CCc1ccc(C2=CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1	552526840	NGSDGRPDDDLIHC-GOSISDBHSA-N	405.567	5.964	30	20	HKED	
N#CCCC[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)c1ccccc1	559363128	TWPNWQUERRYQEB-NRFANRHFSA-N	404.491	5.299	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2ccc(Cl)s2)n1	561233676	RVTSYOQZUGPVES-UHFFFAOYSA-N	420.991	5.521	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C3CC3)C3(C#N)CCC3)cc12	570064724	ISHJSEJEGUPKIW-UHFFFAOYSA-N	410.930	5.100	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)no1)c1ccccc1	578916552	ZDEJEUYGTSLZHL-FQEVSTJZSA-N	405.461	5.520	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3[C@H]4CC[C@H]3c3ccccc34)cc2F)c1	581280011	OIVQECBEVLTMOH-GOTSBHOMSA-N	413.452	5.700	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2sccc2C#N)cc1	581420046	OODSMDXDQJRHJW-CQSZACIVSA-N	407.520	5.050	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1sc2c(c1C#N)CCCC2	589191068	IOIPFHORAJRUHP-UHFFFAOYSA-N	401.557	5.105	30	20	HKED	
CCc1ccc(OCc2nnc(S[C@@H](C#N)Cc3ccccc3)n2CC(C)C)cc1	603997392	ZCTXFSWPMCXZRR-JOCHJYFZSA-N	420.582	5.302	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)sc2c1	604005453	PJYXHRPRRVEKDL-AWEZNQCLSA-N	409.923	5.872	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c1C#N	609032656	YHSCJLYAEVPWPE-UHFFFAOYSA-N	421.551	5.062	30	20	HKED	
CCCN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1cc(Cl)ccc1C#N	609286239	PAWUUPHQBHLHGR-UHFFFAOYSA-N	423.948	5.717	30	20	HKED	
COc1ccc(CCCN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1	609298279	KZUKBZXUNOLTRO-UHFFFAOYSA-N	418.468	5.203	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	609376582	DCLKVXYPVOJGHS-GOSISDBHSA-N	423.582	5.453	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl	609682274	HBSSTHSPERESOA-FOIQADDNSA-N	401.963	6.253	30	20	HKED	
N#Cc1cc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)nc2ccccc12	609893193	ODSLULLKPZRCAD-LJQANCHMSA-N	402.256	5.130	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1	610350611	ROSSYTUIHLFOOA-ZFWWWQNUSA-N	408.502	5.251	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	610587729	VUZAJTJGCKUAJW-RKDXNWHRSA-N	411.708	5.076	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	611854994	HFFRYPBTNIYPGV-ILWGZMRPSA-N	417.553	5.134	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nc1	616096506	GUYBADIPMUDFOQ-UHFFFAOYSA-N	406.873	5.371	30	20	HKED	
CCCCn1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	676458450	GSZVEXZZARPEKZ-CYBMUJFWSA-N	406.433	5.110	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@H]2CCCc3ccccc32)c1=S	725772050	QJWPJHHILRBIKC-QFIPXVFZSA-N	417.582	5.162	30	20	HKED	
Cc1cc(C)c(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1	729159707	DATPIKINAXBXBM-UHFFFAOYSA-N	407.926	6.430	30	20	HKED	
CN(C(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(C#N)cc1F	729827556	JIKHAKJQHVUHHW-UHFFFAOYSA-N	423.694	5.605	30	20	HKED	
N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	729891113	CBSXHFFKOOJHLF-SNVBAGLBSA-N	415.729	5.243	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1	730384198	BCEOHPBMAHMNHA-UHFFFAOYSA-N	402.454	5.296	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	731287558	FPHSEMLLTPSCOE-QYZOEREBSA-N	406.844	5.083	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2c3ccccc3n(C)c2s1	731332420	LHBKRNCYFUFJME-CQSZACIVSA-N	405.548	6.040	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)(C)C)c2ccccc2)ccc1OC	733643060	DREATHABRQSGOO-LEWJYISDSA-N	423.557	5.353	30	20	HKED	
C#CC[C@@H](OC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccn1	733692366	DPQNBGMRIOKIJM-IWAYRVGRSA-N	413.317	5.440	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccncc1	734360256	GVNSJFLQPDZABQ-HXUWFJFHSA-N	414.534	5.297	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740061019	ZRQQRVXGDBCGFB-INIZCTEOSA-N	405.523	5.198	30	20	HKED	
CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740482933	JCOQEIBAHVBRSM-UHFFFAOYSA-N	407.514	5.546	30	20	HKED	
C#CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1	741561184	LSTXDHPBEDTBAA-UHFFFAOYSA-N	402.450	5.367	30	20	HKED	
CCOc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	742987507	CQWXOIBXCBTZGW-UHFFFAOYSA-N	423.925	6.212	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1nc(-c2c(F)cccc2F)cs1	744073237	BNVXLOGYJKUXNT-IACUBPJLSA-N	416.399	5.346	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ncnc2c1oc1ccccc12	744788392	HUDCWZQIBLOGDW-UHFFFAOYSA-N	416.872	5.029	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1	748053602	QBJJXQZHMOXHOY-UHFFFAOYSA-N	413.842	5.013	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	748833466	CGXMJQIGYAKBRA-GUDVDZBRSA-N	416.502	5.300	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2COC(C)C)cc1C#N	752197901	DEMHGKMMPNJCMV-UHFFFAOYSA-N	421.453	5.050	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)s1	752660416	OSJCCTCWWICZGO-CQSZACIVSA-N	423.307	5.031	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)cc1	752878166	RTJAQQRCNQLLLU-UHFFFAOYSA-N	409.848	5.306	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1cc(F)c(C)cc1F)[n+]1ccc(C(CC)CC)cc1	753976184	OGIFJPGLEZKRCV-UHFFFAOYSA-O	417.545	5.451	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755451691	LHUBCUODWWUITR-YJBOKZPZSA-N	401.963	5.610	30	20	HKED	
CC(C)(C)N(N=Cc1cnc([C@@H]2CCCO2)s1)C(=S)Nc1cccc(Cl)c1	755665675	YJZBLSLKJJQOID-INIZCTEOSA-N	423.007	5.479	30	20	HKED	
N#C[C@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1ccc2ccccc2n1	762019257	RNAXAYPREYCQQZ-FQEVSTJZSA-N	408.505	5.509	30	20	HKED	
CCOc1cc(Br)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1	763169259	OWTCWDMZGCDFPI-UHFFFAOYSA-N	410.724	5.182	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1	764948711	YNTCNZXPZQIGBL-HZPDHXFCSA-N	405.922	5.256	30	20	HKED	
Cc1cc(OC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1C#N	765094504	LJLSVQBVRGJPRX-UHFFFAOYSA-N	416.264	5.152	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2[nH]ccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	765914595	DKTYHXQZPFJPLK-ZHLNUILUSA-N	403.894	5.834	30	20	HKED	
C[C@H](Oc1cccnc1NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1	771820110	KFUGBIBSCXOPBO-SJORKVTESA-N	402.454	5.156	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2cc(F)cc(C(F)(F)F)c2)cc1	772804219	CETUUBNVXTYQIY-UQCOIBPSSA-N	404.363	5.053	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	773982332	FUPOCWHEOMHNRL-MLGOLLRUSA-N	401.318	6.097	30	20	HKED	
N#CCCCn1cc(C(=O)Oc2ccc(OCc3ccncc3)cc2)c2ccccc21	774036988	IZVLSATUYLWGRZ-UHFFFAOYSA-N	411.461	5.138	30	20	HKED	
N#Cc1cc(N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)ccc1N1CCC(O)CC1	777115148	ODUQSTRAMCROIQ-QFIPXVFZSA-N	415.459	5.101	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1	778263243	VMHQVIXDGAMQMJ-CGQZWFTASA-N	423.232	5.144	30	20	HKED	
CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)Cc1ccsc1	779397219	RXUXSQOQCPNRBO-JPYJTQIMSA-N	403.551	5.889	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	780584405	NIESNEFHGQIHOO-HZPDHXFCSA-N	424.501	5.207	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl	780675626	RWGRWERSQBKRMA-GJZGRUSLSA-N	401.869	5.009	30	20	HKED	
C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1	782777003	FEVNSSFAEXNOPR-OALUTQOASA-N	411.505	5.594	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)n1	788598178	JXTOGMCLWSLPJP-FQEVSTJZSA-N	416.525	5.019	30	20	HKED	
N#Cc1ccc([C@H](O)C(=O)Nc2ccc(Cl)cc2-c2cccc3ccccc23)cc1	790091327	UGNYAOPOFFYGCJ-DEOSSOPVSA-N	412.876	5.704	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCC2)s1	797568313	HLIKZMHFVNNTQL-HNNXBMFYSA-N	417.372	5.501	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1CSCCCC1(C#N)CCOCC1	798400320	ATUXRYIWARRVDK-UHFFFAOYSA-N	403.979	5.227	30	20	HKED	
COc1ccc(CSCCCC2(C#N)CCOCC2)cc1SC(F)(F)F	798400565	JVTFCSORHMXMRF-UHFFFAOYSA-N	405.507	5.641	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)nc2Cl)nnc1-c1cccc(OC)c1	799887914	GGCGLBAVCHNMPJ-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
CCCCCCOc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)cc1OC	800528222	KSSAKUONYIUHIL-UHFFFAOYSA-N	407.558	5.107	30	20	HKED	
Cc1cc(C)nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	802044622	XVJVNFUWTOCPNQ-CQSZACIVSA-N	402.306	5.619	30	20	HKED	
C[C@H](OC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(Cl)cn1	805923719	NLMBAMIIASPTNZ-AWEZNQCLSA-N	418.324	5.171	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1	806400894	LFFKJQNIYAYTRW-DOTOQJQBSA-N	417.431	5.408	30	20	HKED	
CC(CCCCNC(=O)OC(C)(C)C)=NNc1ncc(C(F)(F)F)cc1Cl	811630345	YZNSUIBZKAEDCL-UHFFFAOYSA-N	408.852	5.237	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	815925513	HLIOULKMOTWLJE-NSHDSACASA-N	422.815	5.136	30	20	HKED	
Cc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1	912787292	BLGSFIRQKBTGMA-UHFFFAOYSA-N	421.507	5.061	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1ccc(-c2ccccc2)cc1Cl	914838678	KEIDZDCSYXQVRT-UHFFFAOYSA-N	407.901	5.272	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccccn1	915085084	FTPGYWCGVWSOPN-QFIPXVFZSA-N	421.504	5.298	30	20	HKED	
O=[N+]([O-])c1ccc(-c2ccc(C=NNCc3cccc4cccnc34)o2)c(Cl)c1	915963445	YFJSDRBJPJGMPJ-UHFFFAOYSA-N	406.829	5.180	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)nc2ccccc21	916845018	NQPNBIOFSDKEJP-GVDBMIGSSA-N	412.518	5.109	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1	1788984689	SMIBBWYBJKAZFP-UHFFFAOYSA-N	421.497	5.092	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)C1	1804866018	HYBBAKZZYUSYKL-FSSWDIPSSA-N	414.634	5.036	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1	1821925964	FDYFLXCWNFKEJZ-ANTGDGSKSA-N	414.594	5.076	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1	1832603674	RDKBHCGOXPXSFL-NQIIRXRSSA-N	416.993	5.094	30	20	HKED	
COc1ccc(-c2nnc(SCCCC#N)n2-c2cccc(C(F)(F)F)c2)cc1	8931450	HNENDTMZASXWLB-UHFFFAOYSA-N	418.444	5.358	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1Cl	16095852	TXKQBUDXXHHYAP-HNNXBMFYSA-N	423.346	5.511	30	20	HKED	
CCN(C(=O)Cc1csc(COc2ccc(C)cc2)n1)[C@H](C)c1ccc(C#N)cc1	45500626	KYEZZKDQNSCPKU-GOSISDBHSA-N	419.550	5.054	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CCC(C)C)c1ccc(Cl)cc1	46750958	NTQFINJOLWIPNC-JOCHJYFZSA-N	414.981	5.293	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2c(C#N)cnc3ccc(Cl)cc23)ccc1OC	301391451	HFCLCDTVPDSRGE-KRWDZBQOSA-N	406.873	5.062	30	20	HKED	
COc1cc(CCC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCC(F)(F)F	303129582	ROFTYBIQKXHCBV-UHFFFAOYSA-N	420.431	5.009	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1	303256078	DGEURTHJAIKAFK-GFCCVEGCSA-N	416.959	5.199	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1	303436952	AASRPDUMQMLQOE-XZOQPEGZSA-N	420.434	5.308	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)cc1	303557314	WLZXQWMSIBNDQR-UHFFFAOYSA-N	422.431	5.716	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	303700382	BAOKVXIVCKBSBL-CQSZACIVSA-N	413.361	5.071	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(CC(F)(F)F)cc3)c2)c1	303919359	SPOJRIOTQOELSY-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cccc(SCC#N)c2)C1	409965249	IAUOBQPZDCLTHE-IFXJQAMLSA-N	404.457	5.544	30	20	HKED	
COc1ccc(-c2noc([C@@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)n2)cc1	426888038	CGZCPRWLVWHJIN-LLVKDONJSA-N	420.416	5.192	30	20	HKED	
N#C[C@H](NC(=O)CCCCC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1	427005994	WVCFUOMULCTQKC-SFHVURJKSA-N	407.272	5.257	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)c2)n1	429686428	NHBYHVTYSSGBDC-AWEZNQCLSA-N	416.911	5.192	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)s1	430607564	ZADOTBZQJUIVEI-CYBMUJFWSA-N	419.337	5.423	30	20	HKED	
N#CCCC[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1	431642846	IOACKHNBYWQOGS-MRXNPFEDSA-N	416.852	5.072	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1	432766537	QGIARPYCSUACIJ-HSZRJFAPSA-N	415.537	5.260	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1	433811930	MDAKVNPOJNTWMF-UHFFFAOYSA-N	420.391	5.161	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1ccccc1	438867096	REQJJWKHMVSNSE-CTNGQTDRSA-N	409.942	5.835	30	20	HKED	
COc1cccc([C@H](C)CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	439803804	GMRFVZODSAGPAP-LJQANCHMSA-N	414.505	5.473	30	20	HKED	
O=C(CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccccc1F	444737544	QXCGDWKOMRZITR-OAHLLOKOSA-N	408.317	5.066	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1	460175662	SLUYHZHQVWMQJJ-JOCHJYFZSA-N	400.547	6.047	30	20	HKED	
Cc1ccccc1O[C@@H](C)CNC(=O)c1ccccc1Sc1ccccc1C#N	460412107	LHRMUBCHSCPOEY-SFHVURJKSA-N	402.519	5.215	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1cccc(F)c1	460563960	LHBACJNQMWMFOU-JOCHJYFZSA-N	406.505	5.052	30	20	HKED	
C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]1c1ccsc1	460951308	KEWURATYUQTLKF-OAQYLSRUSA-N	403.555	5.260	30	20	HKED	
C[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)Nc2ccccc2)cc1	461903384	PUKOIVYJKQVFMV-QZTJIDSGSA-N	412.493	5.183	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464395525	BAGYYEYESOUNJO-CQSZACIVSA-N	402.397	5.328	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1	466519528	RBCQTLLVXVOEMU-UHFFFAOYSA-N	407.539	5.450	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccc(F)cc3)C3CCCC3)ccc21	469341325	ZGCOTVDTIIOCCI-RUZDIDTESA-N	405.517	5.752	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	470366567	YNHOBZAVMPAWCC-GOSISDBHSA-N	403.404	5.545	30	20	HKED	
CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	480882717	ZUMZQYFPTYOYTK-UHFFFAOYSA-N	401.491	5.229	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)nnc1-c1ccccc1C	481334550	BADFDKVDOXGNGI-RBUKOAKNSA-N	420.582	5.106	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	483989678	VYCYBQMTSGASEJ-MRXNPFEDSA-N	419.790	5.317	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccccc1	487287626	PRBFJYWQFIFMCG-IBGZPJMESA-N	413.308	5.344	30	20	HKED	
CCN(C(=O)c1ccc(C#N)s1)[C@H]1CCSc2ccc(Br)cc21	487323849	MXGDFEBKITZMTG-AWEZNQCLSA-N	407.358	5.081	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(C(C)(C)C)o2)nnc1-c1cccc(Cl)c1	489642662	YXMYILFPRVXPPT-ZDUSSCGKSA-N	402.951	5.923	30	20	HKED	
CC(C)(C)[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	490790137	DMYCBOBIXZUHTM-DHIUTWEWSA-N	423.532	5.003	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(Oc4ccncc4)c3)c2)cc1	493460303	GJXMCXAWORRNHU-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(C(C)C)c1C1CC1	498265122	LZSVMPYVAHCGNA-UHFFFAOYSA-N	414.509	5.353	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1	498842412	ZKUANHWHNUEWDI-LJQANCHMSA-N	424.614	5.353	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1	501035226	GQWGDCOJGKRMGB-IBGZPJMESA-N	421.969	5.075	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCC2CCC(F)(F)CC2)cc1	502163229	SIQVAPVXVXJJTO-UHFFFAOYSA-N	413.468	5.279	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2)cc1	504541458	IDUKUBBUPCQJFN-UHFFFAOYSA-N	419.868	5.115	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc2)cc1	505837022	FMEBYOSGCNSEBC-JOCHJYFZSA-N	401.853	5.193	30	20	HKED	
C=CCOc1ccc(CN(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC	506312110	WWBBCZHYHFEPPA-UHFFFAOYSA-N	423.340	5.027	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	508273606	AZWKNKDPADQADF-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)CC1	509364179	KDLRZJHCTGCYQC-FBMGVBCBSA-N	411.505	5.471	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCN1CCC(C)CC1	510756434	XXLZHJNDGYDYLX-UHFFFAOYSA-N	420.557	5.293	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1	510851548	HFMIAZMSBJOCFF-SFHVURJKSA-N	421.545	5.174	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(Br)c1	512379628	MFBSHDFHVFKIIV-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(Cl)c1	513958956	BKNZXISOHFAQQG-UHFFFAOYSA-N	407.876	5.894	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)s1	514514408	LEKZYFNIAZMWEL-UHFFFAOYSA-N	417.578	6.135	30	20	HKED	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	517442460	UGFZMBZXKUXQSN-CQSZACIVSA-N	420.419	5.175	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1	517454744	HMPAWPQUGSNLKQ-COXVUDFISA-N	415.356	5.443	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1	520407115	JGLHVJQVDBIXMA-UHFFFAOYSA-N	410.502	5.493	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1	524197490	OPCFTZQSBASUOE-DYZYQPBXSA-N	400.853	5.776	30	20	HKED	
Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	524435574	YLRGJNQKEDGHDB-UHFFFAOYSA-N	400.478	5.485	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	525054228	HSKAXCVSWXSNDV-UHFFFAOYSA-N	406.313	5.583	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(-c2ccccc2)cc1	525202179	ACWRBQAWEWZNDH-UHFFFAOYSA-N	408.457	5.674	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	525538585	LUOBANIELSENJJ-VQTJNVASSA-N	404.416	5.679	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCOCC4)cc3)cc2)cc1	525657793	AMJMMPGPVYDJQV-UHFFFAOYSA-N	414.461	5.161	30	20	HKED	
OC1(C(F)(F)F)CCC(N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	525858604	LPMJGWMJCJXENX-ROKHWSDSSA-N	423.319	5.525	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)c1C	536254820	QGJTYJMIUKIKMR-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1	538232147	QVFJYXLUGALJRN-RBUKOAKNSA-N	405.567	5.064	30	20	HKED	
C=CCN(C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C)C1CC1	540127183	JLGVSXOFVGPIKZ-CYBMUJFWSA-N	420.376	5.302	30	20	HKED	
CC(C)NC(=O)Nc1ccc([C@@H](C)NC2CCC(Oc3ccccc3C#N)CC2)cc1	540178580	JDDVIOXUHJKGOG-FBHNJWQJSA-N	420.557	5.129	30	20	HKED	
N#Cc1ccc(OC2CCC(NC(=O)N(c3ccccc3)c3ccccc3)CC2)nc1	542985888	QRWPRWHTWXBLEP-UHFFFAOYSA-N	412.493	5.191	30	20	HKED	
C=CCC(C)(C)c1noc(CCc2nc(C)c(-c3ccc(Br)cc3)o2)n1	551135308	CIMGGYYSSXDFTA-UHFFFAOYSA-N	416.319	5.434	30	20	HKED	
CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	553044472	SQUBUQNZMXXWIA-UHFFFAOYSA-N	416.352	5.130	30	20	HKED	
CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC(CC#N)CC1	555066222	MZDLOMASNJNICG-UHFFFAOYSA-N	422.536	5.310	30	20	HKED	
Cc1c(C(=O)Nc2ccc(F)cc2OC2CCOCC2)sc2ccc(C#N)cc12	556936096	RTXFCNGNTYNLRL-UHFFFAOYSA-N	410.470	5.031	30	20	HKED	
CCC(CC)n1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C	557923347	MOHJXJGXRBAVAB-UHFFFAOYSA-N	424.492	5.830	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(C)c(F)cc2Cl)cc1C	558211483	VFGPTGHNOHRICC-UHFFFAOYSA-N	410.880	5.434	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1	562195106	XCHAWVOQZYPVPV-UHFFFAOYSA-N	422.533	5.248	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1	569058694	PQZFDTVJVNEGCK-INIZCTEOSA-N	420.900	5.030	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3ccccc3CC#N)oc3ccccc23)s1	575199184	LTLYXXXKRLHFDA-UHFFFAOYSA-N	420.519	5.203	30	20	HKED	
O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccc(F)cc1C(F)(F)F	576262703	QNEYUNPFZUROLN-OAHLLOKOSA-N	404.285	5.359	30	20	HKED	
CN(C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	582324836	KNHSYXREBICAEJ-ISTVAULSSA-N	418.328	5.331	30	20	HKED	
CC1(C(=O)Nc2cccc3ccncc23)CCN(c2ccc(Cl)cc2C#N)CC1	584136311	UEODSDXCLNFQKY-UHFFFAOYSA-N	404.901	5.005	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)cn2)cc1	589755079	DRQNDGFTQHRDOI-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1	590238838	AIZUCVUBMBZJFZ-HNNXBMFYSA-N	417.431	5.023	30	20	HKED	
Cc1cc(-c2ncco2)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	590558910	LARQXUYVYFDODW-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccccc2)n1Cc1ccco1	604076565	TZVIRWGWHQGVRI-FQEVSTJZSA-N	400.507	5.122	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609422394	QAKRHFPPMVGVJN-GOSISDBHSA-N	412.493	5.578	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)CC3CC3)cn2)cc1	609682883	YCOOTJPESCJBLL-UHFFFAOYSA-N	416.456	5.329	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nnc(C(F)(F)F)s2)c1	609723076	KOMIIHYHWRGBKS-UHFFFAOYSA-N	424.791	5.127	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1	609811304	YURBMQOQOKVBCW-UTKZUKDTSA-N	408.571	5.373	30	20	HKED	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609987210	LPMFMHVJCCJLET-UHFFFAOYSA-N	412.493	5.001	30	20	HKED	
CC1(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCOCC1	610296166	LQRFYJTVCICXPU-UHFFFAOYSA-N	404.388	5.125	30	20	HKED	
CC(C)C[C@@H](C#N)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	613402094	VPTCTHKHKGFQBV-AWEZNQCLSA-N	403.891	5.067	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@H](CC(F)(F)F)c1ccccc1	615397955	FXUUQKPYVRQJFA-OAHLLOKOSA-N	408.317	5.337	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](c2ccccc2)C1	669807196	IBJPXBIKZPJCRF-UTKZUKDTSA-N	424.545	5.038	30	20	HKED	
CN(C(=O)c1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1)c1ccccc1	677467932	PSRFCCXUPDSRHR-QFIPXVFZSA-N	405.457	5.001	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1ccc(Cl)cc1Cl	727953274	CNMQUVJXVYNRDI-CQSZACIVSA-N	420.683	5.018	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1F	727978809	MRJRNWMKRNOCSF-UHFFFAOYSA-N	421.497	5.402	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1cnc2ccccc2n1	727996218	HBARELFNQJZXAU-XFXZXTDPSA-N	420.472	5.041	30	20	HKED	
CC(C)CCO[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	729068875	BEBYQJTUMXNZCU-IUODEOHRSA-N	411.354	5.744	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	729652029	UPWWVOIJTPQQHW-UHFFFAOYSA-N	417.248	5.067	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1ccc2ccccc2n1	730687403	UYJABZSHGCSAEN-DFBJGRDBSA-N	414.411	5.510	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCSc1nc2ccccc2s1	731349349	KQQGARBINMQBKZ-AWEZNQCLSA-N	413.593	5.811	30	20	HKED	
Cc1nc2c(s1)[C@H](OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)CCC2	733069059	KUHBPQZZAMIANC-HXUWFJFHSA-N	420.538	5.080	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1OC	733230769	ULCXINZFBKOKIF-OQHXPNFOSA-N	406.526	5.003	30	20	HKED	
N#CCCCOc1cccc(/C=C2\CCOc3c(Br)cccc3C2=O)c1	733748783	JJYATDWRFJRDHU-DTQAZKPQSA-N	412.283	5.180	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CSc2cc(Cl)ccc2Cl)c1	733775467	WDWXVKJVWKXOAY-OAHLLOKOSA-N	409.338	5.083	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	735578456	ILEIPAYSENAGPG-UHFFFAOYSA-N	413.493	5.435	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCOc4c(Cl)cccc43)c2)s1	740061803	QHNPOHGDDIVVCH-IBGZPJMESA-N	423.925	5.263	30	20	HKED	
Cc1cccc([C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	740535313	MAYHWSMYZASXBY-GUYCJALGSA-N	415.345	6.405	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=S)N[C@@H]3CCOc4ccccc43)c2)cc1	741485184	KHIYPYKVPXNCKF-OAQYLSRUSA-N	401.491	5.161	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccc3)[nH]2)CSC/C1=C/c1cnc(-c2ccccc2)[nH]1	741736880	VBRNZALXUXAZKO-UHWBUFEVSA-N	424.529	5.250	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)ccc1OC	743409678	OLQXCZQOFCJAMB-AZUAARDMSA-N	423.557	5.071	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3csc(C)n3)c2)cc1	744027613	AAPMACFVFSKTSL-NRFANRHFSA-N	417.534	5.422	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1	747197673	MHPNEISPOQFOLZ-PZJWPPBQSA-N	416.502	5.211	30	20	HKED	
O=C(O)CCCOc1ccc(C(=O)/C=C\c2ccc(-c3ccncc3)cc2F)cc1	751524410	CWAYMHDAWWXWLM-YFHOEESVSA-N	405.425	5.027	30	20	HKED	
CN(C)C(=O)Sc1ccc(CSCc2cc(Cl)ccc2OCC#N)cc1	753125331	GXHQOJHIDIGNPI-UHFFFAOYSA-N	406.960	5.449	30	20	HKED	
C[C@@H](OC(=O)Cc1cccc(C#N)c1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753384246	YUODNOAPZAHVGN-GFCCVEGCSA-N	401.249	5.367	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCCc1ccc(Cl)c(Cl)c1	753534057	SCULBESSPYDDGE-HNNXBMFYSA-N	419.308	5.062	30	20	HKED	
CCCCCCOCc1cccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1	761843780	UZUCCSIKAXGVSJ-XMMPIXPASA-N	421.541	5.261	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)c1nc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)no1	762290944	WCSSCBCUYQNCFO-OAHLLOKOSA-N	420.469	5.019	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2cccc(C)c2C)c1=S	765028045	IJGJGTSPQOPDOD-JOCHJYFZSA-N	419.598	5.464	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cccc(F)c1)c1nc(-c2c(F)cccc2F)cs1	767444470	LJWGXNNYDBFJRI-CQSZACIVSA-N	414.408	5.067	30	20	HKED	
CC(C)Oc1ccc2ccccc2c1CNC(=O)Nc1ccccc1O[C@H](C)C#N	767884790	UQEDBLXVVLBMHZ-QGZVFWFLSA-N	403.482	5.240	30	20	HKED	
C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1ccc(C)cc1	768403152	PCKFOEAXGSFTQI-UHFFFAOYSA-N	424.595	5.506	30	20	HKED	
N#C[C@@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1nccc2ccccc12	774271653	STOGLTDUDZYPHN-IBGZPJMESA-N	421.294	5.227	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1NCc1ccccc1)c1nc2ccccc2n1C(F)F	776081707	PJNBHRLQYIYPHU-GOSISDBHSA-N	416.431	5.534	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1	777477776	WTHXEWUJCFWWQH-UHFFFAOYSA-N	402.479	5.118	30	20	HKED	
Cn1cc(CNc2cccc(CC[C@H](O)c3ccccc3)c2)c(-c2ccc(C#N)cc2)n1	778102258	BYFBNSOOCFAVIJ-SANMLTNESA-N	422.532	5.237	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)cc2F)cs1	781106371	ALGIFGAOTCLDLI-UXBLZVDNSA-N	405.454	5.043	30	20	HKED	
C#CC[C@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)C(C)(C)C	786975909	DEQVJSZJCQLYBQ-INIZCTEOSA-N	409.313	5.347	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)O[C@@H]([C@@H]3CCCOC3)C(F)(F)F)cc2)cc1	789645700	NEWODUJHIUQCPL-XLIONFOSSA-N	419.399	5.059	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C\c2cccc(OCc3ccc(F)cc3)c2)cc1	792924424	CJYDORUASZRNJC-NVNXTCNLSA-N	403.453	5.003	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1cccc(Br)c1OC(F)F)c1ccccc1	795984424	ZJIYWANRSCLAQG-AWEZNQCLSA-N	424.241	5.181	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	797942416	FAMQAKNFWUJPOI-GXFFZTMASA-N	415.292	6.119	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCCCC2(C#N)CCOCC2)c1	800169596	WDKKIWGJMXNYCB-UHFFFAOYSA-N	424.884	5.261	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H](O)c2ccccc2C)CC1	806451486	HKDFJRHCVANUKW-RUZDIDTESA-N	406.570	5.824	30	20	HKED	
C#CCC1(c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)CCCCC1	809460946	RFBGWVYEZWFTEM-UHFFFAOYSA-N	415.493	5.268	30	20	HKED	
C[C@H](c1cccs1)N1C(=O)/C(=C\c2ccc(C#N)cc2C(F)(F)F)SC1=S	811624634	LOSUBVGMMVPVBH-XBLUXWHVSA-N	424.494	5.601	30	20	HKED	
N#Cc1ccc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nc1	913615216	FGHISHGHECHKCS-UHFFFAOYSA-N	409.923	5.528	30	20	HKED	
CC[C@@H](C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)S2)cc1	916232709	OARUEPOAGNYNCN-ACJLOTCBSA-N	415.946	5.101	30	20	HKED	
N#C[C@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc2ccccc2s1	916627281	KFTHFEHOZQBVKP-NWNNTGRJSA-N	404.491	5.914	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C	916888278	UONLMNDSNVIYKL-QFXLTXBMSA-N	414.477	5.287	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccccc3)cc2)cc1	916912416	JRZFWNZOIZJDRO-QHCPKHFHSA-N	414.530	5.502	30	20	HKED	
N#C[C@H](C(=O)/C=C/Sc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	917043271	JURTUKJJIZBFGG-MYSGNRETSA-N	404.438	5.797	30	20	HKED	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917043494	JEKLUXQCHUXFGN-QMTHXVAHSA-N	407.347	5.960	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920140320	BRGUBXBEWKQBFJ-FQEVSTJZSA-N	413.502	5.084	30	20	HKED	
C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1	1831857019	SIVDFIWZXYMDEE-QUURXOELSA-N	410.602	5.012	30	20	HKED	
C[C@H](C#N)OC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1	6430021	OSFRBELNVURHFX-CYBMUJFWSA-N	413.549	5.024	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccco3)n2Cc2ccccc2)cc1	7426700	OCMCCXMNKZOFIQ-HXUWFJFHSA-N	400.507	5.122	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2cc(F)ccc2s1	33196241	XVDQPDMGQUDBDA-UWVGGRQHSA-N	413.358	5.680	30	20	HKED	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	58696516	NBRIPBDRGLLATQ-CYBMUJFWSA-N	408.889	5.097	30	20	HKED	
Cc1cc(Sc2ccccc2)ccc1NCC(=O)Nc1ccccc1SCC#N	63472155	XQLFAOMCXWKOMG-UHFFFAOYSA-N	419.575	5.813	30	20	HKED	
CC(C)(C)n1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1C1CC1	66037288	DYWQQSKQSHXRQU-UHFFFAOYSA-N	400.482	5.432	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(OCCCC#N)c1	108293574	AQQDUDSYBZOLGX-UHFFFAOYSA-N	411.914	5.707	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCc1ccc(-c2ccccc2F)o1	113283592	FCWARGSRVIOJOO-IBGZPJMESA-N	414.436	5.400	30	20	HKED	
O=C(/C(=C\c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1)c1ccccc1	210952248	ZITOOMYBEIYJKG-PXLXIMEGSA-N	421.525	5.965	30	20	HKED	
C=CCn1c(SCc2nc3c(F)cccc3n2CC)nnc1-c1cccc(C)c1	303172594	JBPOFFPTCNZXEB-UHFFFAOYSA-N	407.518	5.241	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1	303645513	SCBJEGKNTIATQJ-DEOSSOPVSA-N	412.489	5.123	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(c2ncccc2Cl)CC1)c1ccc(F)c(F)c1	428991714	IWEMDCATQNHQKL-LJQANCHMSA-N	405.876	5.220	30	20	HKED	
CCCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1ccc(F)cc1)c1cccnc1	430595268	TVVYTBPCZZEZQJ-HSZRJFAPSA-N	419.525	5.478	30	20	HKED	
C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(F)c(C#N)c1	430720849	NKZRJIGQJKTGOK-OKILXGFUSA-N	413.880	5.006	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1OCCc2sccc21	432805168	NHWLNOJDHCYALY-IVZQSRNASA-N	404.491	5.301	30	20	HKED	
CCCN(CCCC(C)(C)C#N)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	433617462	PMOJHHGMSUKCTL-UHFFFAOYSA-N	410.889	5.089	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1	436195070	CKKXNPYKRKMWNC-UHFFFAOYSA-N	411.962	5.795	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	438633292	BTEZVCCXAPUYSO-UHFFFAOYSA-N	413.449	5.275	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2	438974685	BZOXUCNCCMAFAX-UHFFFAOYSA-N	415.543	5.946	30	20	HKED	
Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1CCC(C)C	441570471	UEAOXGKTKVQYKF-UHFFFAOYSA-N	418.566	5.654	30	20	HKED	
COc1cc([C@@H](C)Nc2nc(C)c(C#N)cc2Cl)ccc1OCc1ccncc1	461787417	PBGBLGTXFVMPBM-CQSZACIVSA-N	408.889	5.071	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	461916973	BFHAZGJHGUMIAW-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
C[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1cccc(C#N)c1	462146051	KLTLSQZLQNVIMK-VFNWGFHPSA-N	404.901	5.069	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3SCCc4ccccc43)c2)cc1	463120817	SWUMHYNQPQYNFY-XMMPIXPASA-N	414.530	5.301	30	20	HKED	
Cc1cc(C)c2c(c1)[C@@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCO2	469178458	HYNCDGNLCMXQPI-QFIPXVFZSA-N	403.526	5.212	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(Br)s1	473762189	FJUUTHNFDVXLHA-UHFFFAOYSA-N	400.363	5.163	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1	474660252	LWSBDRFKIVZMRT-NRFANRHFSA-N	403.461	5.155	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)cc3OC(C)C)n2)cc1	474967451	FMLAXTFIKOWZHY-LJQANCHMSA-N	422.506	5.105	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	475545359	JHXXUEHBVSZQFI-XMMPIXPASA-N	401.554	6.779	30	20	HKED	
C=C(C)[C@H](NCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccc(F)c(F)c1	479415683	RKLDDTAYIFIBHD-IBGZPJMESA-N	401.375	5.322	30	20	HKED	
Cc1cc(C)cc(-c2nnc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)s2)c1	481959641	BBNWBFSYEGNABX-UHFFFAOYSA-N	415.522	5.015	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc2ncsc2c1	485636761	QQVXMUXIQNYCBM-HNNXBMFYSA-N	415.543	5.810	30	20	HKED	
C[C@@H](OCCCNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1	497594421	YKABEKYBANOOSP-HXUWFJFHSA-N	414.505	5.035	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	498472066	RQUBMCHGWVXMCR-IINYFYTJSA-N	417.214	5.161	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1	499257398	VNLRNBFGKHLAJJ-QGZVFWFLSA-N	409.445	5.305	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc(-c2c(F)cccc2F)cs1	500461131	GUMCTRYIUDXKQL-IAGOWNOFSA-N	424.472	5.472	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2c[nH]c3ncccc23)nnc1-c1ccc(Cl)cc1	502141310	ZGOYTANROSKMTF-ZDUSSCGKSA-N	423.929	5.024	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1Cl	502318187	MTQXWMQUALBDTC-IBGZPJMESA-N	400.869	6.121	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503498274	KRKFWPQESBWCCI-QGZVFWFLSA-N	402.523	5.274	30	20	HKED	
Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	505155937	BFMYNJKLXXYBOH-UHFFFAOYSA-N	403.457	5.425	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc12	505540122	LNAYOVYHHOKAKX-CYBMUJFWSA-N	407.326	5.060	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2c(F)cccc2F)cc1	508265651	CJNQNKMYODWMTL-CQSZACIVSA-N	423.419	5.520	30	20	HKED	
COc1ccccc1CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC1	510670772	XVNNVZFBWAPNBE-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2coc3ccccc23)cc1	512721492	VACYORQEXYWHOY-UHFFFAOYSA-N	411.461	5.400	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	512888319	HYUNRFUMVCNXBI-CYBMUJFWSA-N	414.252	5.130	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-n2cccc2)ccn1	513198556	FHLDPHHZQQHUDH-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cs2)cc1	513672120	OICJWUFOATVCSB-QGZVFWFLSA-N	400.507	5.310	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc2cc(Cl)ccc2s1	515539273	QACUIBMMVSCYDR-GFCCVEGCSA-N	413.289	5.483	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)sc2c1CCCCCC2	515676396	CAIVCLJXKXGVIN-UHFFFAOYSA-N	419.506	5.376	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cnn1-c1cccc(Cl)c1	517344051	YKEXVUJUUSOODK-KRWDZBQOSA-N	419.699	5.136	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1	517517827	KLWZEHRRMSMUEP-KRWDZBQOSA-N	423.582	5.137	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCOc1cccc(Cl)c1	517530204	KXXLBHRXQLZDTA-MRXNPFEDSA-N	417.962	5.667	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccc(F)cc1	521617562	ZDKTXJRUWWLSRI-INIZCTEOSA-N	402.397	5.150	30	20	HKED	
COc1cc(C)c([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	523588021	MWVCUNVBVVAIJC-JKSUJKDBSA-N	413.543	5.289	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	524596497	GWLMIJWVUZEKPL-FQEVSTJZSA-N	420.538	5.656	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	525133099	FZUIGXHPXYMFJZ-DQYPLSBCSA-N	405.350	6.130	30	20	HKED	
COc1ccc2sc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)c(C)c2c1	525649160	FJAYCSRAMMAJAK-UHFFFAOYSA-N	420.534	5.210	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1	532911180	LRCBSULFRIFDAQ-CQSZACIVSA-N	422.381	5.458	30	20	HKED	
CC[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1c(C)nn(C)c1C	536395097	NFXVABQLRFKGOM-IBGZPJMESA-N	422.916	5.235	30	20	HKED	
N#Cc1cccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1F	536994225	IZJSSPRDWZZJMR-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
Fc1ccc([C@@H](CC(F)(F)F)NCc2nc3cc(C(F)(F)F)ccc3o2)cc1	539279644	QPQFQCPHKUUILB-CQSZACIVSA-N	406.301	5.769	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1	540127294	KJRZMNDDHJYPQH-UHFFFAOYSA-N	424.551	5.041	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	540874482	QUOMWPZVZVYNDR-UHFFFAOYSA-N	422.488	5.247	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	541088581	CVYWPRIBIXHGCB-INIZCTEOSA-N	423.438	5.533	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ncc(-c4ccccc4)[nH]3)cc2)c1	542951642	NGZSVFPVYFMJDK-UHFFFAOYSA-N	409.449	5.062	30	20	HKED	
N#CCc1ccc(C[S@@](=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	543117638	WWUKAVMHEAOECA-MUUNZHRXSA-N	420.481	5.344	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C(F)F)c1Cl	544473416	KWUSKDMLQFVPRR-UHFFFAOYSA-N	414.864	6.553	30	20	HKED	
CCCCSc1ccc(C(=O)N(CCC#N)Cc2ccccn2)cc1C(F)(F)F	545517492	SIAFDNDSIDNDDT-UHFFFAOYSA-N	421.488	5.549	30	20	HKED	
CNC(=O)Nc1cc(N[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	552319501	LZVCWSICUHYHNL-VIFPVBQESA-N	423.332	5.788	30	20	HKED	
CO[C@@H](c1ccc(F)cc1)c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1	555136059	MZDIVQZQLFNCFQ-NRFANRHFSA-N	401.397	5.275	30	20	HKED	
CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	558803097	MOBZHMBOVGYRFO-MRXNPFEDSA-N	415.449	5.023	30	20	HKED	
Cc1cc(C#N)nc(N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)n1	571427561	FKKFJQVTJCCJOR-GFCCVEGCSA-N	414.332	5.024	30	20	HKED	
CC[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(C#N)cc1	574393494	YTWDTTOONPWUGZ-NRFANRHFSA-N	402.460	5.366	30	20	HKED	
C=C[C@@](C)(CCOC)c1nc(-c2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)no1	576383747	BPSDXNALXGTLLP-FQEVSTJZSA-N	420.435	5.038	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC4(CCC4(F)F)C3)cc2Cl)c1	578472243	KTXKBTUJABQQME-UHFFFAOYSA-N	417.843	5.054	30	20	HKED	
CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	581518574	IYPGSHSQLNDKBQ-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	589740994	PDLAARUERRTHCR-CHWSQXEVSA-N	424.385	5.673	30	20	HKED	
CCOc1ccc(N(C(=O)c2ccc(C#N)c(C)n2)c2nc3ccccc3s2)cc1	603564703	XADFQNFBQAPIGM-UHFFFAOYSA-N	414.490	5.249	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)cc4cccnc34)cn2)cc1	603962072	XWFLWSIHYWCCSV-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F	604488276	NIFWUPAAXJTPFP-AWEZNQCLSA-N	407.392	5.072	30	20	HKED	
O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1	604962043	DBUJAAVCPSXSGZ-UHFFFAOYSA-N	411.361	5.371	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	606938481	ZBEALECQFOMMKC-UHFFFAOYSA-N	423.435	5.761	30	20	HKED	
O=C(Nc1ccc(CC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608320587	QHHCNHULZZRNOU-PHIMTYICSA-N	422.291	5.386	30	20	HKED	
CC(C)c1nc2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc2o1	609071071	XHSDBUZVNDJOBI-UHFFFAOYSA-N	401.422	5.247	30	20	HKED	
C[C@@H](C1CC1)N(C(=O)c1cc2ccccc2n1CC#N)c1cccc(C(F)(F)F)c1	609216194	FERZPTXMEBVXCK-HNNXBMFYSA-N	411.427	5.629	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1	609815418	HGXJROURAFTSAY-UHFFFAOYSA-N	424.403	5.142	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H](N3CCCC3)CC2)c1	609977478	MQBJCEKEYLBYSL-OAQYLSRUSA-N	423.944	5.094	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)N[C@H](C)c4cccc(C#N)c4)CC3)c[nH]c12	610356739	YZIOUJMUEYVSBY-QGZVFWFLSA-N	400.526	5.252	30	20	HKED	
C[C@H](C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)s1	610387566	SJWYJKVXGHGGMG-JTQLQIEISA-N	418.341	5.248	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)CCCN(CCC#N)CC(C)(C)C	611662324	LRGVQRFEMSPJBR-UHFFFAOYSA-N	408.384	5.046	30	20	HKED	
CSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	613346925	SHXYDQSKOMZQMO-OAHLLOKOSA-N	419.358	6.329	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)csc1Br	613889351	BYTXRXTVFYMVIW-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1Br	616326022	VUYMRYKBTBVXNE-LBPRGKRZSA-N	403.345	5.570	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccc(F)cc4s3)n2)cc1	619756450	LFOLWHZGXPFOIO-MRXNPFEDSA-N	408.479	5.663	30	20	HKED	
CN(Cc1ccccc1NC(=O)NCc1ccc(C#N)c(Cl)c1)C1CCCCC1	619786327	SMHOHZHOLKPVKP-UHFFFAOYSA-N	410.949	5.298	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(Cl)c1)c1nc2cc(F)ccc2s1	675643576	BSVCAQZZNYAZBH-SNVBAGLBSA-N	409.667	5.341	30	20	HKED	
CC[C@@H](C)c1ccc(-c2cc(C(=O)[C@@H](C#N)c3ccncn3)c3ccccc3n2)cc1	680617522	SQBWNTXQJJHONS-VGSWGCGISA-N	406.489	5.695	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1)c1ccc(F)c(F)c1	681407357	GIRJDHQZXXVPQZ-OAQYLSRUSA-N	410.424	5.294	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccccc1Cl	682988835	HVRPAXOWUOADAC-INIZCTEOSA-N	400.869	5.126	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1F	726858315	HURAPJAPCMFQPL-SMDDNHRTSA-N	406.404	5.824	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1	727267299	SGBNGBLLRKZCGU-VAWYXSNFSA-N	401.491	5.019	30	20	HKED	
COc1ccc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)cc1OCCCC#N	727781698	VPOHSYYAXQZYCF-BENRWUELSA-N	418.518	5.706	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cc1	728329282	UVYPEGWILVBDGB-CQSZACIVSA-N	407.388	5.049	30	20	HKED	
COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	730171124	QDTVVLDNBGUFBG-SAPNQHFASA-N	413.477	5.190	30	20	HKED	
CCCN(C(=O)/C=C\c1ccccc1C#N)[C@@H](c1cccnc1)c1ccc(F)cc1F	732096161	DHPPUGLDZMUUTP-VDUBTBKOSA-N	417.459	5.273	30	20	HKED	
CCn1cc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cn1	732531306	XDBPUVJPBIALOX-UKTHLTGXSA-N	414.328	5.002	30	20	HKED	
CCc1oc2ccccc2c1C=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	733080264	IFAOHBYXLNZTJI-UHFFFAOYSA-N	411.387	5.312	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1OC(F)F	733084060	WHWWGQIMMRJYMS-HJWRWDBZSA-N	402.378	5.216	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)sc21	734083753	RGUOSAMDIGOZNQ-INIZCTEOSA-N	414.515	5.402	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1	734240329	MPDMKZBBFGUHSC-GBXCKJPGSA-N	413.562	5.011	30	20	HKED	
CN(C(=O)CSCc1cc(Cl)ccc1OCC#N)[C@H]1CCCc2ccccc21	735319944	GALWVBIAAPLILP-FQEVSTJZSA-N	414.958	5.012	30	20	HKED	
COc1cc(/C=C\C(=O)c2cncs2)ccc1OCc1cccc(C(F)(F)F)c1	735792841	MIHGULDIDYBGTI-ALCCZGGFSA-N	419.424	5.646	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)/C=C\c2ccccc2C#N)C(C)C)cc1	741640746	RIHPVOBOGNXEMH-MSUUIHNZSA-N	410.517	5.684	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1	742723412	KIXRRYGMWOMGMT-XMMPIXPASA-N	407.920	5.708	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	743447583	PVCQICORQJHBRM-QIENPNARSA-N	404.388	5.734	30	20	HKED	
COc1ccc(Cl)cc1NCCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	744034910	FZUAQNJNJVFNCU-CYBMUJFWSA-N	420.321	5.290	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c[nH]c3ccc(F)cc23)c1	747041761	KAIMSOCFGDVMCY-UHFFFAOYSA-N	423.517	5.080	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2coc3ccccc23)cs1)c1ccc(F)cc1F	747706306	UHWAGOPNFYMJLR-VQHVLOKHSA-N	424.428	5.748	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Br)cc1)c1nc2cc(F)ccc2s1	749032404	GDLUDUGVRCEPNO-AWEZNQCLSA-N	403.276	5.007	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(F)cc1F	752477426	QBJOBYADRFRTHV-MEDUHNTESA-N	424.419	5.121	30	20	HKED	
CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	753105312	KJUNVXNCFFJJHL-UHFFFAOYSA-N	423.419	5.183	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2-c2nncn2C(C)C)c(C)n1-c1ccc(C#N)cc1	753324933	HEIKAXNNDVGBCP-UHFFFAOYSA-N	424.508	5.058	30	20	HKED	
Clc1ccc(CSc2nncn2N=CCCCCOc2ccccc2)cc1	753953828	AAGGDYBJQUSCIN-UHFFFAOYSA-N	400.935	5.307	30	20	HKED	
C[C@@H](Cc1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	756516081	QNYSNAXRBPYXJH-NHYWBVRUSA-N	409.700	5.173	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc(Cl)ccc2O)cs1	757468891	VLEKVRLYFPYTNV-UITAMQMPSA-N	416.861	5.222	30	20	HKED	
CC(C)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F	762437348	HYWKQMCQWGVTNM-HXUWFJFHSA-N	417.440	5.306	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)/C=C/c1ccccc1C#N	766568673	FGNYENMEXZJNGX-FMIVXFBMSA-N	415.880	5.424	30	20	HKED	
CSc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1F	766623532	SNLNUHDEYVKXKT-KRWDZBQOSA-N	420.465	5.301	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(Cl)cccc32)ccc1OC	772986704	QIVOQAXMIHUVCF-QFBILLFUSA-N	400.906	5.033	30	20	HKED	
CCOc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1	776167703	HCDXAMBTTMHEAO-IQGLISFBSA-N	420.940	6.081	30	20	HKED	
Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(C#N)c(Cl)c3)cc2)cc1	777437120	GFLALSFWLBXTSS-UHFFFAOYSA-N	404.853	5.016	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)CCSc1ccnc2cc(Cl)ccc12	780156868	GRYCMNSPPTXEDP-AWEZNQCLSA-N	411.914	5.300	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1	780164375	KHFPHDZKHLRUHE-QGZVFWFLSA-N	420.896	5.391	30	20	HKED	
Cc1cccc(C(=O)OCc2ccc(Cl)cc2C#N)c1NC(=O)c1ccoc1C	780493881	BUROEVIEWZQIOH-UHFFFAOYSA-N	408.841	5.031	30	20	HKED	
COc1cc(Oc2ccccc2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780604820	OVRFXQNTGSJQPU-INIZCTEOSA-N	403.438	5.422	30	20	HKED	
O=S(=O)(c1ccc(NN=C2CC(c3ccc(C(F)(F)F)cc3)C2)cc1)C(F)F	781591449	GQWIRWGLCRFPJK-UHFFFAOYSA-N	418.387	5.047	30	20	HKED	
CCn1c(NN=Cc2c(Cl)cccc2SC(C)C)nc2ccccc2c1=O	786038553	QTGADFAGHDVUHU-UHFFFAOYSA-N	400.935	5.016	30	20	HKED	
Cc1ccc(C)c(-n2cnc3cc(C(=O)Nc4ccccc4O[C@@H](C)C#N)ccc32)c1	788459763	CCGRWRITSSWKEM-SFHVURJKSA-N	410.477	5.186	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)cc1	789649944	NTFZJNLCAOWSNV-YLJYHZDGSA-N	419.399	5.173	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1=S	790458538	BMECLNCWYVEJQF-CQSZACIVSA-N	416.538	5.196	30	20	HKED	
CCCCCCC[C@@H](C)CNC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	812011076	PVXBWASJEMTUHK-CEXWTWQISA-N	406.571	5.154	30	20	HKED	
CCCn1c(C)cc(-c2csc(NC(=O)c3ccccc3SCC#N)n2)c1C	857342537	TWOFBKXNWAOYNQ-UHFFFAOYSA-N	410.568	5.506	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1	915102358	XXFWRIHOISVEJG-KDOFPFPSSA-N	423.519	5.384	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCc2cccnc2)cc1Cl	915985782	XFPOSYYTHLSYSE-MDZDMXLPSA-N	409.869	5.227	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1Cl	916057285	MPRCTPZMSXFHSB-OAQYLSRUSA-N	402.881	5.112	30	20	HKED	
CCCc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc1C	916882687	ALBDWQQLTNOAMH-HNNXBMFYSA-N	408.495	5.285	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)c4c(c3)OCCO4)n2)cc1	916973539	ZZHCLUDGWGRQNV-OAHLLOKOSA-N	410.882	5.033	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917045926	CVMVZIWFBOGYCJ-CQSZACIVSA-N	411.845	5.542	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1	917798194	RRVUAJXTEHMEPC-UHFFFAOYSA-N	413.502	5.131	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1828823107	PGESBWWHXMOEOS-RPWUZVMVSA-N	414.634	5.345	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831376656	QMXQSDQCEVPAFC-OHUMZHCVSA-N	402.623	5.035	30	20	HKED	
C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nnc1-c1ccccc1	7393356	VFUVTVUZZJFAOG-UHFFFAOYSA-N	403.454	5.033	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccccc2F)cc1	11169669	DQAOFFSETQMHCN-UHFFFAOYSA-O	407.534	5.343	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(C)c2)c1	11258319	NROZEHRXMKLSJV-UHFFFAOYSA-O	423.989	5.912	30	20	HKED	
CC(C)Cn1c(SC[C@H](C#N)CCC#N)nnc1-c1ccc(Cl)cc1Cl	15244652	AOQYEFXKNSWONF-ZDUSSCGKSA-N	408.358	5.444	30	20	HKED	
CCCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H](C)c1cc2ccccc2o1	53371366	OVZAYPQAKDYWIO-LJQANCHMSA-N	406.530	5.092	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1COc1ccccc1	62888797	HPASKACUGSDDRK-UHFFFAOYSA-N	402.450	5.002	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1nc(C)c(C)s1	63641470	JDAWAXACKSUGLK-HNNXBMFYSA-N	406.511	5.171	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)c1	63641517	HPLLLJNLZHLWQT-HXUWFJFHSA-N	413.521	6.023	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)sc2ccc(F)cc12	64720164	FSKHANAIWBMPJC-UHFFFAOYSA-N	408.376	5.414	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3cccc(OCC#N)c3)c3ccccc3n2)cc1	107965828	MEGNFMWKWOVWOQ-UHFFFAOYSA-N	409.445	5.065	30	20	HKED	
COc1ccc(OC)c([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)c1	237415045	OTNGYXABXQVDFD-SFHVURJKSA-N	402.494	5.005	30	20	HKED	
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	303206597	PSOPXNYQYNDPMR-MRXNPFEDSA-N	406.869	5.197	30	20	HKED	
C=CCN(C(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nc(-c2ccccc2)cs1	303500184	MFRHANGTWYHBSO-UHFFFAOYSA-N	424.957	5.292	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	303571480	JCCKZOOPOITVPK-UHFFFAOYSA-N	414.465	5.048	30	20	HKED	
N#Cc1nc(N2CCC[C@@H]2c2ccc(Br)s2)ccc1C(F)(F)F	409722059	VBCPRIGZOAEHKL-LLVKDONJSA-N	402.239	5.138	30	20	HKED	
C=CCCc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	410343060	BJOFZGCFSCBXME-UHFFFAOYSA-N	415.518	5.739	30	20	HKED	
COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc(OCCCC#N)c1	428228627	MLHREHSCZYTKPN-UHFFFAOYSA-N	423.694	5.046	30	20	HKED	
N#Cc1cn(Cc2csc(-c3ccc(Cl)cc3)n2)c2ccc(Cl)cc2c1=O	428325877	HTRUMUINPVKKPW-UHFFFAOYSA-N	412.301	5.352	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1	432738274	QDLXSSPEPIXNRO-UHFFFAOYSA-N	400.276	5.175	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@H](C)c1ccc(C#N)cc1	436072272	ZTYUUQPFMPIUAM-LLVKDONJSA-N	400.265	5.320	30	20	HKED	
N#C[C@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1nc2ccccc2s1	437547461	JBHQLZZVKPQBRM-QGZVFWFLSA-N	413.433	5.734	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1	440258546	UQUYFSTWSIQARK-KKSFZXQISA-N	415.459	5.985	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	442693776	PXNGHOUSBIHVGJ-RISCZKNCSA-N	417.943	5.508	30	20	HKED	
C=CCN(CC(=O)N(CC)c1nc2ccccc2s1)Cc1ccc(Cl)s1	444042763	COFFLDBAVYALCP-UHFFFAOYSA-N	405.976	5.052	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c2ccccc21	444139339	GNBQHFAOOMCVTA-YLJYHZDGSA-N	411.427	5.250	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	446861908	NYGWINITNXJMSS-OAQYLSRUSA-N	413.443	5.359	30	20	HKED	
CCCc1c(NCc2nnc(-c3cccc(Cl)c3)o2)cnn1-c1cccc(C#N)c1	447886890	WUYZADKWOHSIKT-UHFFFAOYSA-N	418.888	5.012	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCOc4c(F)ccc(F)c43)c2)c1	463038302	PIOYDRYCBUWRDH-JOCHJYFZSA-N	406.432	5.029	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N	463751882	XCDPZDBJCLOAFW-CYBMUJFWSA-N	406.349	5.478	30	20	HKED	
CC(C)CO[C@@H](C)c1noc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)n1	466609797	MYPNWCMYRMXNSU-AWEZNQCLSA-N	424.526	5.111	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1	466699650	KKDAOQPNGNBUDV-OAHLLOKOSA-N	410.465	5.106	30	20	HKED	
CCc1c(NC(=O)c2cccc(COc3ccccc3C#N)c2)cnn1-c1ccccc1	468185796	IFEKVVDDWHGGBF-UHFFFAOYSA-N	422.488	5.138	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1	469228964	JKEPWWDDJJBMQV-HNNXBMFYSA-N	401.432	5.461	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccc(F)cc3)c3cccnc3)ccc21	469306402	YNYDLSIMQGZLKL-RUZDIDTESA-N	414.484	5.005	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	473582467	LHMGBBHSSXWITP-ZIAGYGMSSA-N	408.445	5.363	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F)c1ccccc1	475594229	FCBZCLHEPONRLL-NQIIRXRSSA-N	400.444	5.847	30	20	HKED	
COC(=O)c1csc(-c2cccc(CNc3ccc(C(F)(F)F)cc3C#N)c2)n1	477806514	NMRLGJODBBUPQI-UHFFFAOYSA-N	417.412	5.099	30	20	HKED	
C[C@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	481291564	CTLFCHJXTMMMEH-WDEREUQCSA-N	422.335	5.259	30	20	HKED	
C=C(C)[C@@H](NCc1nnc(-c2ccccc2Br)o1)c1ccc(F)c(F)c1	481580628	TUZSRTMPTZKWGE-GOSISDBHSA-N	420.257	5.184	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1	486419900	ZXGCWWLMSCGMHM-FDDCHVKYSA-N	411.567	5.020	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC(C(=O)c2ccc(Cl)cc2)CC1	488305457	KKROOFZIWBBBLE-UHFFFAOYSA-N	411.839	5.137	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1S[C@@H](C(=O)Nc1ccccc1)c1ccccc1	488735530	NZAFEIBJVUDAFX-GOSISDBHSA-N	413.424	5.444	30	20	HKED	
N#CCCCn1cc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c2ccccc21	490960015	HVMZKBQDOMIPDN-HXUWFJFHSA-N	413.443	5.411	30	20	HKED	
CCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)[C@H](C)c1ccc(C#N)cc1	497593994	NOOBBTTXNCEGOP-MRXNPFEDSA-N	404.539	5.012	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501470935	ASGOQQOSTLKAPP-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
N#Cc1ccccc1-c1ccc(COc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc1	504446039	MYYCWEHBRBUNMF-XMMPIXPASA-N	423.472	5.706	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)n1	505825937	LJMYTHXTWGPOLU-FQEVSTJZSA-N	402.498	5.152	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1cccc(C(F)(F)F)c1	505922705	KTNXJXZBFPWUNX-INIZCTEOSA-N	400.322	5.195	30	20	HKED	
N#CC1(CCCSCc2nc(-c3cccc(C(F)(F)F)c3)no2)CCOCC1	507711750	YWZICAODLKGJOK-UHFFFAOYSA-N	411.449	5.089	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1	508668388	XSDMDUJASQGGDU-FOIQADDNSA-N	411.889	5.293	30	20	HKED	
C=CCN(C(=O)c1cc2cc(Br)ccc2o1)c1nc2c(s1)CCCC2	512176469	AUZUEXJWEFWQGL-UHFFFAOYSA-N	417.328	5.363	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccccc2)C2CC2)cc1	514055507	LAZUUBMWWDCXJV-RUZDIDTESA-N	413.496	5.560	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C	517779247	SRJXSQWNUGAPCD-UHFFFAOYSA-N	407.905	5.150	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518377383	AKTDYLFAPZVYAV-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	518740071	GMUZXUOJWNEAHH-DAXOMENPSA-N	405.350	6.130	30	20	HKED	
CC(C)c1ccc(CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)cc1	518753545	SBZDPVUKRHDTML-SFHVURJKSA-N	407.583	6.401	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1	524439042	DFQKTYUBIXDLOY-UHFFFAOYSA-N	403.482	5.028	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	524503446	QEGXHNISWJAVPE-UHFFFAOYSA-N	411.461	5.072	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1	531648139	FNCHCRDOZVAQSQ-QFIPXVFZSA-N	409.942	5.037	30	20	HKED	
C=CCc1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc(OC)c1OC	533724268	PWGJORGUYQFJOS-HNNXBMFYSA-N	402.560	5.154	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	536239755	QALCPSRRAACVHB-AVRDEDQJSA-N	407.583	6.573	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C(C)C	536604619	FYGBBVODIOFNQF-CQSZACIVSA-N	419.337	5.693	30	20	HKED	
C=CCC[C@H](NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)c1ccccc1	537158467	CLLMWTCLCZNKFS-QFIPXVFZSA-N	419.594	5.738	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)c1ccccc1	537223011	DSRITNFSTAJQSD-PGRDOPGGSA-N	409.599	5.365	30	20	HKED	
Cc1ccc(-c2csc3ncnc(SCCCC4(C#N)CCOCC4)c23)cc1	539669155	LTEBRPAYLYOEMO-UHFFFAOYSA-N	409.580	5.859	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3ccc(Br)cc3)C3CCC3)o2)cc1	540376963	KKJTXFPRBTXHEN-FQEVSTJZSA-N	423.314	5.002	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3cnc(-c4ccccc4)nc3)no2)c2ccccc21	544565001	YWSNKHCMPKBZSN-QXMHVHEDSA-N	418.460	5.232	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccc1F	549401257	UWSSHKKXYDBEIL-CYBMUJFWSA-N	410.861	5.073	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2ccc(-c3csc(C)n3)cc2)ccc1OC	550844782	XTYJDYOKMDAQSD-QGZVFWFLSA-N	408.567	5.933	30	20	HKED	
C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H](c2cccc(C(F)(F)F)c2)O1	553718254	XCTFCMBJAIQUMW-HGHGUNKESA-N	416.443	5.081	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)c3ccccc3n2)c1	558245421	DLODGKUBBGFZOR-UHFFFAOYSA-N	420.900	5.387	30	20	HKED	
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1I	581325154	JYFPKMNFZXIIDU-BEFAXECRSA-N	404.295	5.377	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Br)n2)cc1	582461047	OZMHCCBPTCINPW-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@H]1c1cccc(F)c1	583231718	NCGMRHTYDJFLMS-FIRPJDEBSA-N	412.553	5.109	30	20	HKED	
N#Cc1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)c(C(F)(F)F)c1	589508055	ZFAAXGFYFCJQIB-HXUWFJFHSA-N	401.819	5.505	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3ccccc3C)CC2)cc1	592904828	HBOSZBVDXVSPQS-UHFFFAOYSA-N	417.553	5.221	30	20	HKED	
CC(C)Oc1ncc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1Cl	603992686	UYGDCFPOTPKPHO-UHFFFAOYSA-N	423.925	5.473	30	20	HKED	
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	604044615	YCHDAQUDWLVFJJ-VQTJNVASSA-N	413.521	5.124	30	20	HKED	
COc1c(F)cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	604192395	LGMNAOQUXRUSIN-UHFFFAOYSA-N	410.445	5.390	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(-c4ccccc4F)s3)cn2)cc1	604430443	FVAIROOHJJTVKK-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F	608945608	RVYAVZYBYYMCDO-BEFAXECRSA-N	402.416	5.098	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	608966155	WFGLVNMGHLBGIM-UHFFFAOYSA-N	414.509	5.288	30	20	HKED	
CCO[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1	609061100	RKOQJPYCQWSWGX-DEOSSOPVSA-N	400.478	5.162	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1ccc(F)c(F)c1	609061701	HEEWFTWUJNQMRN-UHFFFAOYSA-N	424.472	5.455	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1cccn1C	609078802	OTKCYXXNIUOPJO-XMMPIXPASA-N	414.509	5.153	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	609097896	MQVHJFLDYSNVCW-VWLOTQADSA-N	422.488	5.138	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl	609375507	HSKHMWZLVUHAAS-UHFFFAOYSA-N	411.379	5.871	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1	609517964	JYXHSRRVQSZPIS-QZTJIDSGSA-N	403.309	5.442	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cnn(C(C)C)c1	609572962	DRFVAERCOKMPRZ-SFHVURJKSA-N	417.513	5.106	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	609682253	FLKKQRLNOJFWLE-UHFFFAOYSA-N	418.884	5.128	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1	609722518	ZSOFORIWLDZKIF-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	609774004	NZOYYBRMQBBLAH-UHFFFAOYSA-N	413.521	5.888	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609912061	MWFSUOGFRXVUKB-INIZCTEOSA-N	405.885	5.102	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1	609927981	CDLXMTRAUOCOSM-NRFANRHFSA-N	401.466	6.093	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ncc(-c2ccccc2)o1	610095260	MHWNAZWUYATMAS-CVEARBPZSA-N	406.511	5.476	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726143120	YMCUOSDUWPTDEI-HSZRJFAPSA-N	409.514	6.026	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)c1	726443858	LBTRWPZFUCPKEU-UHFFFAOYSA-N	424.472	5.754	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1	727325772	XKTKFRGXRHPSAY-UHFFFAOYSA-N	402.841	5.038	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OCc3ccccc3C)cc2)ccc1OCC#N	727781871	ZGJNYYRDZZZAEL-NTUHNPAUSA-N	413.473	5.381	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc(-c2ccccc2)cs1	727954732	TUBQKABXZXQHCI-JOCHJYFZSA-N	416.546	5.941	30	20	HKED	
O=C(/C=C/c1nccn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	728697533	RGWWWFLRPMTCRY-OWOJBTEDSA-N	416.243	5.379	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)cc2C)cs1)c1ccc(F)cc1F	731322450	YSGPQLPULHUKTK-YVMONPNESA-N	416.424	5.450	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccc(Cl)c(Cl)c1	731644462	RIQHHUWDDYIEFE-CQSZACIVSA-N	413.091	5.776	30	20	HKED	
N#C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1c(Cl)cccc1Cl	733259541	YWZBYURUKVQODU-BLGFXRMMSA-N	416.695	5.589	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)ccc1OC	733656429	KUTFTXHJALOEOH-LPHOPBHVSA-N	421.497	5.025	30	20	HKED	
O=[S@@](Cc1cccc(N=Cc2cc(Br)ccc2O)c1)c1ccccc1	734365999	AUCWQHQHBVGJHN-VWLOTQADSA-N	414.324	5.213	30	20	HKED	
N#CCOc1ccc(Cl)cc1CNC1(c2ccc(Br)cc2)CCC1	735308642	MHHDVFIDOJDDOS-UHFFFAOYSA-N	405.723	5.174	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1	740819847	HBRYDARCAVGUQP-UHFFFAOYSA-N	413.905	5.556	30	20	HKED	
N#Cc1ccccc1NC(=S)N(CCSc1ccc(F)cc1)c1ccccc1	741876312	ZSIUVXZZHJKJJM-UHFFFAOYSA-N	407.539	5.693	30	20	HKED	
C[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	741902598	NUYARVGMZNKLMI-IIBYNOLFSA-N	408.423	6.103	30	20	HKED	
CCOc1cccc(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	742992167	JTJOJFSHFLMJGU-UHFFFAOYSA-N	419.525	5.495	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1	743475892	WWHQSTLZBOTDRU-RTBURBONSA-N	418.566	5.105	30	20	HKED	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CC#N)C2CC2)c1=S	747789532	HAHVDEQGYHJQOM-OVWQWFNUSA-N	413.616	5.085	30	20	HKED	
CC(=NNc1nc(-c2ccncc2)no1)c1ccc2c(c1)Nc1ccccc1S2	750948589	MWAPLQHVEYXPEL-UHFFFAOYSA-N	400.467	5.176	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(OC)cc1	752477298	NLPGXTBBTZRYQE-GUYCJALGSA-N	419.308	5.233	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1OCC#N	761662187	AXJAPEVDIFEHJJ-SFHVURJKSA-N	403.457	5.523	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1cccc(C(=O)c2ccccc2)c1	762019303	UJWGJVKOINAEIZ-FDDCHVKYSA-N	404.469	5.446	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CCO2)c1	762293192	DOBUOFWRQMHDDX-MRXNPFEDSA-N	417.317	5.293	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc([C@@H]3CCCOC3)c2)cc1	766622270	FKHCLQZWLNSZHF-AMHTUMDSSA-N	404.510	5.055	30	20	HKED	
N#C[C@H](C(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl	770845495	BPBCQAHYBHHPHU-OAHLLOKOSA-N	408.807	5.029	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1ccc(F)cc1OCC#N)c(C)n2C1CCCC1	771425419	HCELCEKKYZVLAW-UHFFFAOYSA-N	421.472	5.367	30	20	HKED	
N#Cc1ccc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)c(F)c1	772797876	QKJSXKUYLCEVNZ-SXGWCWSVSA-N	407.857	5.812	30	20	HKED	
N#CCc1ccccc1CC(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1	777168032	WCHKXOWLKODLDO-UHFFFAOYSA-N	416.424	5.181	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	780022562	FNFFAQIXQOTVJB-XJKSGUPXSA-N	407.461	5.159	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1	780673081	NLAWJINEJAMSCB-WBVHZDCISA-N	420.538	5.601	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl	781034235	JCZQPSQKMDGEMO-SNVBAGLBSA-N	418.678	5.127	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1cccnc1Oc1ccc(F)cc1Br	783046318	LCLLQAZLOACWIK-UHFFFAOYSA-N	421.266	5.262	30	20	HKED	
COc1ccc2c(c1)CCCN2C(=O)c1ccccc1Sc1ccccc1C#N	791029031	OCIVMKMBZFYWMB-UHFFFAOYSA-N	400.503	5.311	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1	792098906	FUMJSPUAYPGKET-KOSHJBKYSA-N	404.469	5.446	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2ccc(C#N)cc2c1C	796746503	LBWXLVXZGNEAPS-LJQANCHMSA-N	415.518	5.167	30	20	HKED	
C[C@@H]1[C@H](C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)[C@H]1c1ccccc1	797548879	RFMJKHAXRFAWMZ-OZEXIGSWSA-N	410.473	5.176	30	20	HKED	
C=CCc1cc(C(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)cc(OC)c1OC	798239565	DSFGGMWCRKHGFG-SFHVURJKSA-N	421.371	5.034	30	20	HKED	
Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	800151558	OCDSYFZPAARKHR-UHFFFAOYSA-N	410.245	5.332	30	20	HKED	
C=CCCc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1	800627909	RFPDPEIAEKRLHB-LJQANCHMSA-N	413.521	5.120	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1	804197586	FCJVXKQKDBVZGE-MRXNPFEDSA-N	404.457	5.341	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCCC[C@H]3[C@@H]3CCOC3)nn2)c1	814926785	JYLULKFBUZDFPH-WBVHZDCISA-N	404.436	5.157	30	20	HKED	
Cc1cc(CC(C)(C)C(=O)[C@H](C#N)c2cnc3ccccc3n2)ccc1Br	816045664	SJYVBHFJBDXINL-MRXNPFEDSA-N	422.326	5.146	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)nc1	832003198	IHDPZJUAULZKKH-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	906585205	XKGBMIZPPAPPLE-UHFFFAOYSA-N	411.527	5.027	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1	915085739	AUGDNIWRRIIIOH-VWLOTQADSA-N	408.501	5.432	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1sc(C)nc1-c1cccs1	916559486	YIEQPBLGJBPEQZ-UHFFFAOYSA-N	418.927	5.252	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916590719	IZOBVHJFRMRYCC-OPAMFIHVSA-N	403.457	5.372	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccccc3F)o2)cc1	916955129	MYDGVCFKTSEQMJ-DNVCBOLYSA-N	404.441	5.560	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3csc(-c4ccccn4)n3)c2C#N)C1	921001249	QUQMVCZVUPDAGG-ZDUSSCGKSA-N	422.579	5.542	30	20	HKED	
Cc1cc(C)cc(CCn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)c1	1742104097	NDIAJNRUNBVRFY-UHFFFAOYSA-N	405.590	5.000	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CCC2)cc1	1791300787	CRVLTYVCPKGRAK-NHCUHLMSSA-N	424.491	5.136	30	20	HKED	
Cc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccccc2C(C)C)cc1	15234319	KENHBUSYPKQGIH-LJQANCHMSA-N	415.566	5.902	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1	56756835	RTYOJLHIRVRAKK-JOCHJYFZSA-N	407.489	5.009	30	20	HKED	
N#Cc1cc(NC(=O)CCCc2nc3ccccc3s2)ccc1OCC(F)(F)F	60461656	QHZWIVOYPSJDAW-UHFFFAOYSA-N	419.428	5.070	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1	63287249	SHOCUVWWYWVJJX-UHFFFAOYSA-N	419.268	5.140	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1	111018916	QYTRYSCMEATUMK-INIZCTEOSA-N	404.432	5.545	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(N2CCC(O)CC2)cc1	209880829	RKMRSPQUSDIFPW-NVNXTCNLSA-N	413.517	5.123	30	20	HKED	
CC(=O)Nc1cccc(C(C)=NNc2nc(C)nc3sc(-c4ccccc4)cc23)c1	254569071	KANAZHRWEVTHLT-UHFFFAOYSA-N	415.522	5.461	30	20	HKED	
CCc1c(C)sc(NC(=O)COc2ccccc2OCc2ccccc2)c1C#N	409763420	HFXARYUNRUSCRJ-UHFFFAOYSA-N	406.507	5.087	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F	410354272	OKVPCCUGQWMYLN-UHFFFAOYSA-N	402.832	5.229	30	20	HKED	
CS[C@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1	435601064	IXGRWXKWXGBWGK-IBGZPJMESA-N	413.518	5.026	30	20	HKED	
Cc1cccc([C@H]2CCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1C	438056193	QNWPNWHHYKRQEV-XMSQKQJNSA-N	407.583	6.457	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	439524008	YDVKESAURVGKFS-WFBMQCHUSA-N	419.525	5.144	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1C1CC1	442199321	IMNOWAKELXKRAU-LLVKDONJSA-N	407.396	5.146	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c2ccccc21	443976381	DGDMUQHBXLONQD-UHFFFAOYSA-N	423.520	5.397	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c2ccccc21	444267114	PCGMBTUADWYHAD-UHFFFAOYSA-N	421.928	5.282	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3SCCc4ccccc43)c2)c1	463392135	LWTRUOXEOMPUPE-HSZRJFAPSA-N	400.503	5.106	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1Cl	477317767	FVTCWLFWKOVWPO-IBGZPJMESA-N	423.831	5.224	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1ccccc1C	481396384	FVEJKBBADOFTFI-UHFFFAOYSA-N	408.552	5.757	30	20	HKED	
N#CC1CCN(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)CC1	483972808	CLKLYNBCIBGBBE-UHFFFAOYSA-N	406.873	5.448	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c2)cc1	484426696	QXSITIBBXXIUCA-UHFFFAOYSA-N	405.360	5.076	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1	488968484	AQLMVEVGFZJJIU-OUTSHDOLSA-N	403.547	5.683	30	20	HKED	
CCCCC[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494238351	QJZJOOTUWAQUBJ-QFIPXVFZSA-N	405.542	5.908	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	496569859	HWKUEHWZRMMWBR-KRWDZBQOSA-N	419.893	5.917	30	20	HKED	
C=CCN(C(=O)Cc1c[nH]c2cccc(OC)c12)c1nc(-c2ccccc2)cs1	498245408	XFLHMUGHBYTXMH-UHFFFAOYSA-N	403.507	5.062	30	20	HKED	
CC(C)(C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc(F)cc(C#N)c1	505302177	RMLHESXCMQUWIA-UHFFFAOYSA-N	423.875	5.241	30	20	HKED	
Cc1c(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)sc2ccc(C#N)cc12	506850871	IXILGTPWDYFDKW-UHFFFAOYSA-N	400.507	5.643	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N1CCC[C@H]1c1cccs1	510203939	QANYGRBCMSXJRB-JXFKEZNVSA-N	419.575	5.526	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2	511321215	JMXKVWOUBQPHAN-QUZFRVLNSA-N	403.526	5.278	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccnc(Oc4ccccc4)c3)cc2)nc1	511329835	WRBFKSOEZCUDGT-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1ccnc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc12	511894492	SKSKSXLNDWOJST-UHFFFAOYSA-N	415.440	5.820	30	20	HKED	
C[C@H](Cc1cccs1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	514127529	WDWHAHMYLOGSCF-QGZVFWFLSA-N	407.514	5.102	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)C(=O)Nc1ccccc1C#N	515715693	HLDTVISZNJDTQE-IRXDYDNUSA-N	403.457	5.167	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1	516270308	RKJRJULFJCLQTG-MRXNPFEDSA-N	413.380	5.070	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1	517726154	LQJBRLUWIMNIEZ-OALUTQOASA-N	423.532	5.164	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC	517781246	ZILFMIRGDBYTGD-SFHVURJKSA-N	409.530	5.037	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1	517901299	WBOPGCSCNVLSRJ-UHFFFAOYSA-N	400.276	5.009	30	20	HKED	
COCC[C@@](C)(C#N)NC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1	518611287	VZRCBRFGEXMTFQ-FQEVSTJZSA-N	423.365	5.334	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1	521102216	PVCOSRJUZZSUQC-NRFANRHFSA-N	417.336	5.778	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N(Cc1ccc(O)cc1)Cc1ccco1	522070728	HECNAEFOTQWKFK-UHFFFAOYSA-N	423.472	5.014	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C2CC2)o1	524437044	VRHNLHOVGIZSMF-MLGOLLRUSA-N	401.413	5.073	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1(c2cccc(F)c2)CC1	524828637	MCVMIHWIUKDAIG-UHFFFAOYSA-N	415.468	5.396	30	20	HKED	
C=C[C@@H](CC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	530511569	VNJISJJERHOOHY-MBSDFSHPSA-N	403.501	5.629	30	20	HKED	
CC(C)(C)c1nc(CS(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)cs1	531167278	YBFJEQBSHBQROI-UHFFFAOYSA-N	410.564	5.094	30	20	HKED	
C[C@@]1(c2ccccc2)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1	532362088	WADPDXFXRHXBPR-VWLOTQADSA-N	413.477	5.130	30	20	HKED	
COc1ccc(CNc2ccc(N3CCCC[C@@H]3C)cc2C)cc1OCCCC#N	532744711	NVXMJWKISZURHU-FQEVSTJZSA-N	407.558	5.677	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	533870989	SGWKJTNXGNQBTI-LRAJWGHMSA-N	417.962	5.205	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC)c1ccccc1	533961079	KYALFWFGKZNCBL-IBGZPJMESA-N	406.526	5.010	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1c(C)noc1C	534569424	ICHOFJNGSHNNQS-GOSISDBHSA-N	408.433	5.367	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nc2cc(Cl)ccc2s1	536071480	VZERRICIVQRLNZ-AWEZNQCLSA-N	413.289	5.279	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1	538858960	ZHMBDNUHIFKAPS-OAHLLOKOSA-N	402.338	5.557	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(-c4ccccc4C#N)cc3)o2)cc1	540198933	SIGROFQDNKPXIE-UHFFFAOYSA-N	421.500	5.438	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	544460579	PWDDWTTTXFMLHR-HYBUGGRVSA-N	400.453	5.014	30	20	HKED	
N#Cc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1Cl	548607676	UFHPFIMPJLGRAA-UHFFFAOYSA-N	416.333	5.495	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)ccc2C)c1	551488665	FPWNCHYIKHLJLY-UHFFFAOYSA-N	412.371	5.029	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3c(Cl)cccc3n2)c1	553131860	JMKPJJXRPLFOJD-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1	577297956	JSHKSHUFQNPTJA-FQEVSTJZSA-N	422.271	5.652	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3ccc(F)cc3OCCC(F)(F)F)CC2)cc1	584020724	PIOXISARPHKDBU-UHFFFAOYSA-N	407.411	5.109	30	20	HKED	
Cc1ccc(NC(=O)CCCCCC#N)cc1Oc1ncccc1Br	588165777	UVLFBVYMUKPGEC-UHFFFAOYSA-N	402.292	5.357	30	20	HKED	
CCOc1ccccc1OCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	603532765	RFGPEIGHWSEPEO-UHFFFAOYSA-N	418.468	5.017	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c12	603727299	MHJKSRVRDMLSOS-LBPRGKRZSA-N	420.538	5.534	30	20	HKED	
CCCc1ccc([C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)cc1	603796207	VCBPNPDPKZYAPR-HSZRJFAPSA-N	403.551	5.503	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](C)c1ccccc1OC	603956979	WURBKQBTPKCTTF-SFHVURJKSA-N	418.493	5.352	30	20	HKED	
CC(C)Sc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	603994708	HXRPUVDKDNARPK-UHFFFAOYSA-N	415.518	5.563	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(F)ccc2N2CCCCC2)o1	608874775	VCYKUSFIGFPBAN-UHFFFAOYSA-N	419.456	5.112	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccccc3SCc3ccco3)CC2)cc1	609141356	KBXFXPFXBGTRHC-UHFFFAOYSA-N	418.518	5.127	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)cc1	609498712	AFTIRNSCTULCBG-UHFFFAOYSA-N	419.484	5.783	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1	609556357	AMNZMICRGBZLQZ-MRXNPFEDSA-N	420.538	5.347	30	20	HKED	
N#CC1(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)CCC1	609857087	AUGMMMZKARXHFX-UHFFFAOYSA-N	405.445	5.262	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1csc(-c2ccc(Br)s2)n1	609988121	LRXFLCWODZMHIT-UHFFFAOYSA-N	412.378	5.036	30	20	HKED	
Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	610016020	ZICFBGWNURHKQL-SFHVURJKSA-N	400.482	5.149	30	20	HKED	
Cc1cccc2c(=N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(C#N)c[nH]c12	610246263	YFSQVYZHBRFGDU-WDNDVIMCSA-N	401.354	5.158	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	610387303	PHTJCURVTXAWPK-LBPRGKRZSA-N	405.357	5.022	30	20	HKED	
N#CCn1c(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)cc2ccccc21	610435639	CRIGRUZJWAAYTO-UHFFFAOYSA-N	416.868	5.045	30	20	HKED	
Cn1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(-c2ccccc2)n1	611815980	OAJDDKBTQLQBGZ-UHFFFAOYSA-N	423.476	5.073	30	20	HKED	
O=C(Nc1cccc(OC(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642634365	AQFCPRCSVNNGFI-RKDXNWHRSA-N	420.300	5.319	30	20	HKED	
C=CCn1c(SCC(=O)c2sc3ccccc3c2C)nnc1-c1ccncc1	677835354	RFPOLYVOOSATSF-UHFFFAOYSA-N	406.536	5.024	30	20	HKED	
O=C(CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683195612	KYIMROAGMYYEOZ-WJETXHTCSA-N	415.393	5.274	30	20	HKED	
COc1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2C#N)cc1Cl	726905774	UKOXSJRYQSUVTF-UHFFFAOYSA-N	407.926	5.624	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)o2)c(C)c1	727268795	SNVLIRPKNQFHOB-UHFFFAOYSA-N	420.538	5.009	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc1	727764244	XDWOYCCKUPDGLA-XMMPIXPASA-N	416.546	5.096	30	20	HKED	
O=C(O)C(=O)/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2n1	728157528	YPXMIKVIFINKAF-UKTHLTGXSA-N	405.759	5.101	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)cc1	728767082	UNUQRDADOUADLC-QZTJIDSGSA-N	414.452	6.031	30	20	HKED	
N#Cc1ccc(CNC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	729830394	RIDRMJJSNVQAHQ-UHFFFAOYSA-N	405.704	5.119	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	731332072	CJJBTZJAUUNRHU-OAHLLOKOSA-N	411.527	5.680	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	732497036	KBGOQYUYPSIFMK-KXBFYZLASA-N	403.532	5.286	30	20	HKED	
N#CCOc1ccc(COC(=O)[C@H](Sc2ccccc2F)c2ccccc2)cc1	733489685	KDAUSYGKKOPZBU-JOCHJYFZSA-N	407.466	5.305	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)O[C@@H](C)CC#N)cc12	733711989	RACOHDNBYBDMBG-JTQLQIEISA-N	408.310	5.220	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2C[C@@H](c3ccccc3)C[C@H]2C)c1=S	734477606	RSWGUELLLXCRAA-KNQAVFIVSA-N	404.583	5.026	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1)c1ccncc1	734679732	JQLJCECLJPAUKX-DEOSSOPVSA-N	401.510	5.119	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(C2CC2)n1Cc1ccccc1	735230450	BZBWKAIWMLDSCK-UHFFFAOYSA-N	410.930	5.052	30	20	HKED	
COc1cc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)[nH]c2cc1OC	735650880	WKNDUMGUCBYPQG-HXUWFJFHSA-N	411.461	5.093	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC)c1ccncc1	739021075	UPBMBTGOBWXPTP-PMACEKPBSA-N	401.938	5.447	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C)cc1	739145013	ZMIORCCEEWHDJQ-KXBFYZLASA-N	416.493	5.541	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2ccc(C#N)cc2F)c(Cl)c1	741053145	QUPBXHNMIYAVEL-UHFFFAOYSA-N	404.825	5.055	30	20	HKED	
CCCOc1c(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cccc1OCC	741842637	AQJLJDWPEOCRIJ-KAMYIIQDSA-N	415.493	5.136	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	743202717	SCHCGPMRDIFHEH-SFHVURJKSA-N	406.379	5.226	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1	743467517	CPXYNCPSFBEOMT-QGZVFWFLSA-N	404.514	5.181	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Cl)c1	744024981	FSHWIANURSPVOC-MEDUHNTESA-N	408.857	5.106	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	744027694	BJICZELDXHUFGY-AQNXPRMDSA-N	423.299	5.598	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744073839	HAPVKWMZTYDIMP-CJNGLKHVSA-N	414.452	5.673	30	20	HKED	
C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1)C(=O)O	745022091	WFOPDDUVKNBRPW-FPAJZGIOSA-N	423.446	5.071	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc21	754522998	BZFNKOVUOGXUPA-AWEZNQCLSA-N	414.292	5.110	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cn(Cc3ccccc3)nc2C(C)(C)C)c1	763472628	HXHUNPCJBNQUIL-QHCPKHFHSA-N	416.569	5.200	30	20	HKED	
C=CCn1c(SC[C@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1cccs1	764689636	CVIAPULTSUJEGI-AWEZNQCLSA-N	411.474	5.037	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)c1	772985779	YUEZNKBODLOSOX-RBBKRZOGSA-N	417.578	5.967	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)Nc2ccccc2O[C@@H](C)C#N)n1	780159227	IDKMNPUYAGRELC-HNNXBMFYSA-N	409.536	5.287	30	20	HKED	
C[C@@](O)(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	780892847	ORWYAQHAQAAMLK-XUZZJYLKSA-N	404.897	5.232	30	20	HKED	
N#CCOc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)cc1	781423020	OLTMSGBTTSCTNF-JOCHJYFZSA-N	414.402	5.626	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)nc1	782047161	FCAMIBNIBOGVGV-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
Cc1cc(COc2ccc(/C=C/C(=O)c3cnn(C(C)(C)C)c3C)cc2)oc1C(=O)O	787185965	DOFODYMAKFWLRA-DHZHZOJOSA-N	422.481	5.021	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(C4CC4)cnc3Cl)c2)c1	793058319	JJTZYWBXGMFAKZ-UHFFFAOYSA-N	403.869	5.315	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C\C(=O)c1ccc(Br)cc1F	794702805	PXOSLFBOIPDOEA-FPLPWBNLSA-N	420.669	5.027	30	20	HKED	
Cc1cc(C(=O)COC(=O)C[C@H](CC#N)c2ccccc2)c(C)n1Cc1cccs1	795980448	JEQUOHAFLJFIGB-FQEVSTJZSA-N	420.534	5.028	30	20	HKED	
CC(/C=C\C(=O)c1ccc(S(C)(=O)=O)c(F)c1)=C\c1cccc(C(F)(F)F)c1	806573518	LQTSFJSXSUBPJQ-WLPHGBIISA-N	412.404	5.090	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cscc2C(F)(F)F)nc(-c2ccccn2)n1	811643936	PBUZPXMGMWRCRM-UHFFFAOYSA-N	417.338	5.084	30	20	HKED	
FC(F)(F)c1ccc(Br)c(C=NNCc2cnc3ccccc3c2)c1	811644869	OFAJSFITWMDXMV-UHFFFAOYSA-N	408.221	5.140	30	20	HKED	
CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	814270513	MUDYTWFPHDQVKG-AQTBWJFISA-N	413.955	5.096	30	20	HKED	
CC(C)(c1ccc(C#N)cc1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	904493894	SOQPVJUPNLRBII-UHFFFAOYSA-N	419.488	5.332	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)c2c1	915101158	PSSVIHQJVDGZHJ-NRFANRHFSA-N	421.504	5.018	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	915103671	BFNBXIFSAGPHTO-AWEZNQCLSA-N	420.843	5.877	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=S)NCCSc1ccc(Cl)cc1	916006056	RKILIUCVDFTION-UHFFFAOYSA-N	404.004	5.090	30	20	HKED	
O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc(OC(F)F)cc1OC(F)F	916140318	LZYPSSKHGWMIEU-ARJAWSKDSA-N	420.771	5.148	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	916914222	XGSVHLPJZMDMOT-HNNXBMFYSA-N	417.317	5.732	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12	916915776	JHHMHCNBWJPDQK-HSZRJFAPSA-N	420.468	5.303	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(F)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	916976981	YWJDVDYAKWSAKD-AWEZNQCLSA-N	421.280	5.511	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c(OC)c1	917557917	ITRNSKCXHZHPGU-GHXNOFRVSA-N	422.506	5.049	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(Cc2ccccn2)c2ccc(F)cc2)cc1OC	917790937	FEKUYGATAKWEAX-RIYZIHGNSA-N	418.468	5.041	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)s1	918713700	UAOGWLXIMVIMBB-ZZXKWVIFSA-N	405.884	5.031	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccccc2OCC#N)cc1F	919894411	IZDSQZWKGFJYPF-UHFFFAOYSA-N	406.413	5.090	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2)cc1	920105688	CRPYCLIOGPTCGX-QFIPXVFZSA-N	408.457	5.261	30	20	HKED	
CC(C)(C)c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141574	KAYCZQDGAFXLRP-HXUWFJFHSA-N	415.518	5.235	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(OCC(F)(F)F)cc3)c(Cl)nc21	920480567	IIADCBMFEBSFRM-VMPITWQZSA-N	423.822	5.503	30	20	HKED	
Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	921289756	VEWTXKDIXZMOMZ-GOSISDBHSA-N	402.519	5.215	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)[nH]n1	1819556973	QQRYWAVGYWOJAN-BJLQDIEVSA-N	414.594	5.221	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cccc(C)c1	22729056	ABQZWMNTGKQZKB-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
C[C@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(C#N)cc1	31437606	RFGZAGLRUJRGNI-INIZCTEOSA-N	412.518	5.218	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	31776959	PURBSBISRZTFDX-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1C1CC1	36799975	PEZRSSVNUHWFDL-OAQYLSRUSA-N	418.566	5.430	30	20	HKED	
COc1ccc(-c2cnc(CSc3nc(C)cc(C(F)(F)F)c3C#N)o2)cc1	65279618	NCVQIDKBMOPFPB-UHFFFAOYSA-N	405.401	5.236	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)C(CC)(CC)Cc2nc3ccccc3s2)cc1	65654033	AEMBEPGARKNDGO-UHFFFAOYSA-N	421.566	5.200	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1	65680215	YJXZJJCOIZJRHI-UHFFFAOYSA-N	401.447	5.223	30	20	HKED	
COc1ccc(Cl)cc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	195679259	JZFZDIYJPAEOEE-UHFFFAOYSA-N	422.937	5.443	30	20	HKED	
COc1cc(F)c([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1OC	237250497	PLAPPNPQMVIDAJ-KRWDZBQOSA-N	420.484	5.144	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1OC	237477224	PDQMZZKFNWKSCF-INIZCTEOSA-N	424.566	5.551	30	20	HKED	
N#Cc1cccc(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1	237701493	OUCQCFAJHLMNQP-UHFFFAOYSA-N	411.820	5.341	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)n1	301945559	LBPMNUDMYLDHDT-CQSZACIVSA-N	421.488	5.832	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1	303365084	QYMKQZZJEWRVOE-CYBMUJFWSA-N	409.433	5.030	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1	303465884	MLFFDCQIADXISF-MRXNPFEDSA-N	420.538	5.233	30	20	HKED	
C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccccc1-c1ccccc1C#N	303577430	ZPORXFOWEDIHEZ-XDHUDOTRSA-N	416.908	5.481	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)c2)c1	303583988	FOOAEFOZSCGEGA-JOCHJYFZSA-N	418.880	5.044	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1	303643139	IOCGXFMMMQGNOA-GOSISDBHSA-N	412.917	5.425	30	20	HKED	
C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(Cl)c1Cl	428734309	ABHWACQOFOGEME-AWEZNQCLSA-N	413.308	5.262	30	20	HKED	
Cn1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c(-c2ccc(Cl)s2)n1	430602583	WMCDGLFZMRAYLP-JTQLQIEISA-N	404.948	5.046	30	20	HKED	
CCN(CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	431218880	XCZKAYLFINTVBH-FHWLQOOXSA-N	402.608	5.103	30	20	HKED	
N#CCCC[C@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1	431367749	DEZLGCIBRJZQNO-ZCYQVOJMSA-N	418.585	5.023	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1	431977809	PZNHAUVNBKLWOV-FQEVSTJZSA-N	415.468	5.820	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1	431986847	NZGDCENEJQSCHG-SJORKVTESA-N	404.297	5.161	30	20	HKED	
Cc1ccncc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	432069111	JQUPHGNALCDCMK-UHFFFAOYSA-N	420.900	5.158	30	20	HKED	
Cc1onc(-c2ccccc2)c1-c1nnc(CN[C@H](CCCC#N)c2ccccc2)o1	433011525	GEZNDGQZLAZKEK-HXUWFJFHSA-N	413.481	5.225	30	20	HKED	
N#CCCC[C@H](NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccccc1	433031283	IJZIJYTVRKAHKZ-SVBPBHIXSA-N	423.560	5.185	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	438055697	YNZUVFOCHKPTGT-UXHICEINSA-N	422.598	5.209	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1C#N)CCCCCC2	439099713	KWMMNXSVZDYNTL-UHFFFAOYSA-N	403.891	5.401	30	20	HKED	
CC(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-]	439653606	YHOKEGFPIOOVMN-GOSISDBHSA-N	416.462	5.203	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1C(F)(F)F	443883405	LNIVSMSSOXEQSS-UHFFFAOYSA-N	424.304	5.034	30	20	HKED	
C[C@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Br)s1	443892398	VHBBOOUHYANZDC-QMMMGPOBSA-N	403.223	5.143	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(Br)s1	444097144	AEFVXVNQFFMLDG-CWRNSKLLSA-N	418.360	5.053	30	20	HKED	
N#C[C@H](C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2ccccc2)cs1	444455377	SQMMIDKIETVCJH-LJQANCHMSA-N	421.481	5.295	30	20	HKED	
Cc1cc(C)c(Br)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	461008924	UFVKWPWEZUJLAQ-ZDUSSCGKSA-N	403.345	5.570	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ncc(-c4ccccc4)s3)ccc21	469017318	QTYXZGHEYUZZEU-UHFFFAOYSA-N	402.523	5.005	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@]3(CCCOC3)C2)cc1Cl	473629632	DLWCWBIQXVYRJN-URXFXBBRSA-N	423.944	5.420	30	20	HKED	
C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	474893773	OQTMFTMZGHQTBK-XXBNENTESA-N	411.505	5.204	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(C(=O)c2ccccc2F)CC1	475571429	MLYSVVHVPGVPAR-UHFFFAOYSA-N	423.532	5.104	30	20	HKED	
CC(C)c1c(NC(=O)C[C@H](CC#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	477016203	CSMWPYQZWPEXKG-SFHVURJKSA-N	406.917	5.675	30	20	HKED	
CC(C)c1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccccc1Cl	478845167	MWLWTUUYBAEGJE-UHFFFAOYSA-N	422.916	5.584	30	20	HKED	
CCc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccccc1Cl	478846408	ZEJBNQILBMNVSI-UHFFFAOYSA-N	408.889	5.023	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	479516739	VWNLXRZAOVBCTJ-INIZCTEOSA-N	415.518	5.159	30	20	HKED	
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccco1)c1ccc(C#N)cc1	481343008	SPPCYFKJEDKQJB-HNNXBMFYSA-N	404.470	5.450	30	20	HKED	
O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N(Cc1ccc(F)cc1F)C1CC1	482401335	OLJHKRXTKRBYMM-KRWDZBQOSA-N	420.328	5.221	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1cccc(C)c1	483084645	GKRVJBHXVSCYCH-UHFFFAOYSA-N	424.476	5.665	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c4ccccc34)n2)cc1	483516824	YLANPMSTCDYORC-IBGZPJMESA-N	402.450	5.601	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1	483580942	CSIGBUKBIYSLPX-JOCHJYFZSA-N	408.473	5.029	30	20	HKED	
Cc1nnc(N(CCC(C)C)C(=O)C[C@H](CC#N)c2ccccc2)c2ccccc12	483989298	UXWDDZBXDPLNIZ-NRFANRHFSA-N	400.526	5.405	30	20	HKED	
Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc(C)c1Cl	484482891	AWEQLQGGWVAGTL-UHFFFAOYSA-N	401.869	5.043	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)cc1	485356824	KSUDTFZBAMTOQA-UHFFFAOYSA-N	400.265	5.896	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccncc1	489451464	YXGREVXEMUNSKH-INIZCTEOSA-N	418.526	5.128	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	490403191	RBJMMICPUASHSV-UHFFFAOYSA-N	415.493	5.187	30	20	HKED	
CC(C)n1cccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	490722588	RDTXIMCOKGNXCV-CQSZACIVSA-N	404.322	5.989	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	494100507	XZMFYWFKVHRADK-UHFFFAOYSA-N	422.872	5.133	30	20	HKED	
C=CCN(C(=O)c1ccn(C(C)C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	497582622	ORYGGDMQLOCDGE-UHFFFAOYSA-N	421.353	5.727	30	20	HKED	
Cc1c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1CC(C)C	499592010	OUIOFHSRKSLTGJ-FQEVSTJZSA-N	421.932	5.800	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc(C)nc21	499841181	TVSVMFOMAVNZJG-PXAZEXFGSA-N	416.312	5.012	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1OC	499849497	WBBDZHLPCLWXGB-KRWDZBQOSA-N	407.297	5.176	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)cc1	505363504	CKOQXFJCMQMAMY-LJQANCHMSA-N	417.553	5.122	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cc(-c2ccccc2Cl)on1	506682351	NEWJOSZKZNZBLM-UHFFFAOYSA-N	403.825	5.307	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C1CC1	506961229	FYEZDCJPWJAGRV-UHFFFAOYSA-N	414.509	5.119	30	20	HKED	
CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)[C@@H](C)c1ccc(C#N)cc1	509578701	JAYAHSUEPFLMPI-INIZCTEOSA-N	421.591	5.839	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1)c1ccccc1	510020783	VFNQMRALMPELRT-QGZVFWFLSA-N	401.485	5.787	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc(-c2ccccc2)ccc1C#N	510188470	AQGIMZIQDGNMEJ-INIZCTEOSA-N	405.498	5.071	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2ccc(NC(=O)CC(F)(F)F)cc2)CC1	511054253	JYCUZQXWSNSEPH-UHFFFAOYSA-N	401.432	5.394	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2nccc3ccccc23)cc1	511390721	KQVCODXASIRLTC-UHFFFAOYSA-N	422.488	5.202	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)N(Cc3cccc(F)c3)C3CCCC3)CC2)c(F)c1	511724961	ZYZCZUNLVOFHGE-UHFFFAOYSA-N	423.507	5.024	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@H]3c3cccc(C(F)(F)F)c3)o2)cc1	511810259	TYBJFQDYOSFGDV-RBUKOAKNSA-N	412.415	5.053	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2ccc(F)cc12	516270317	RNHUHKBWGGJOBL-QGZVFWFLSA-N	401.422	5.366	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Cn4cccn4)cc3)cc2)cc1	517654913	MWYLNEWXNJDRHB-UHFFFAOYSA-N	408.461	5.042	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	518148298	QHNOHPGIECPEHF-KBPBESRZSA-N	407.461	5.396	30	20	HKED	
Cc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1NC(=O)c1ccccc1F	518502280	HHVPYMUNQVRQMO-KRWDZBQOSA-N	413.408	5.018	30	20	HKED	
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	518753513	QGZLUYHRLYIWBE-IRXDYDNUSA-N	424.570	5.387	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	519069934	WHOPRZZXLTWLQR-UHFFFAOYSA-N	405.498	5.432	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1	520855347	JOSZIEAKFPPTNW-QGZVFWFLSA-N	418.566	5.831	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	521746282	FCOATJOPUGZLQH-VGSWGCGISA-N	418.566	6.179	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H](C)C(=O)N(CCC#N)c1ccccc1	522985891	SBIUEMXLGYOAMZ-NFBKMPQASA-N	417.578	5.265	30	20	HKED	
CCOc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	523129557	GPUARTDJLLZGNY-UHFFFAOYSA-N	417.484	5.008	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H](N3CCCC3)CC2)c1	523163943	JGEALHSXNBTMEG-LJQANCHMSA-N	423.944	5.094	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)c1	524388113	JVBKGQOIOXFUDH-UHFFFAOYSA-N	421.294	5.081	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1F)c1nc(O)c2c(-c3ccccc3)csc2n1	525118650	XFKKTPMIMKWDEA-GFCCVEGCSA-N	407.495	5.928	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c(F)c1	531505896	PETZNBNREOQAET-UHFFFAOYSA-N	420.202	5.583	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccccc1Cl	533245116	FSZXIUWZXIXBAT-INIZCTEOSA-N	401.963	5.195	30	20	HKED	
CC(C)(C)OC1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1	534886386	GDWWHFMLFAZBGV-UHFFFAOYSA-N	412.917	5.424	30	20	HKED	
C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2ccccc2OC)n1	535980253	HRQHJAGWZFXCOJ-UHFFFAOYSA-N	421.566	5.067	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N	537022617	RRMTWYGKQFAARI-ZWKOTPCHSA-N	411.571	5.157	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1	537396547	KFAOJSVICUUZNE-UHFFFAOYSA-N	419.706	5.309	30	20	HKED	
C=CCN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1	537933478	ZPXFJHYEVQBBCR-VKAVYKQESA-N	419.506	5.312	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1	538055999	HRNHDRIKGSIXJP-UHFFFAOYSA-N	404.457	5.075	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NCc2ccc(C#N)cc2OC(F)F)cc1	538256927	RUZSUEQJLXJRBB-INIZCTEOSA-N	408.448	5.686	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3coc(-c4ccccc4Cl)n3)s2)cc1	539560208	FPDZCXAGBGWBRH-UHFFFAOYSA-N	420.881	5.166	30	20	HKED	
N#CC1(CCCNc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CCOCC1	539709899	CPKXBPDAGYVINC-UHFFFAOYSA-N	405.420	5.405	30	20	HKED	
COCC1(C)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	540225197	IIIOGVFEJGVOFM-HXUWFJFHSA-N	411.933	5.276	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1	541516018	ADKBNXFHMOKHTE-IBGZPJMESA-N	402.325	5.418	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(Cc4ccccc4)cs3)cc2)nc1	542278696	HUXXPCYUHASWRT-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)cc1	543608302	DTNKAHZOQHFYMM-ZEQRLZLVSA-N	415.468	5.091	30	20	HKED	
C[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	543871178	QEROZDMFQJSERI-OAHLLOKOSA-N	407.876	5.307	30	20	HKED	
COC1CCC(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1	544584533	ZJZFZEZUWHVBGF-UHFFFAOYSA-N	421.541	5.163	30	20	HKED	
N#Cc1cc(C(=O)Nc2cccc(Cl)c2Oc2cccnc2)cnc1C(F)(F)F	549943768	LWKRJXDDCUXJFW-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
C=CCn1c(SCCOC(C)(C)C)nc2scc(-c3cccs3)c2c1=O	552083063	PPYUMURXYZZEDT-UHFFFAOYSA-N	406.598	5.280	30	20	HKED	
CSC[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1	558135482	RTRXPHISCCTZCZ-OAHLLOKOSA-N	400.931	5.219	30	20	HKED	
N#Cc1cc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)ccc1F	560100077	XAGWWKOPZFAEIO-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
Cc1c(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(C#N)cc12	569679743	HWZQTUCDFNOUFL-UHFFFAOYSA-N	419.481	5.382	30	20	HKED	
CSc1cc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)ccc1NC(C)=O	569953262	LADMQOVWFOXNOW-UHFFFAOYSA-N	415.518	5.086	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)cc1	570353789	BIAGEFWNCAYUBN-NRFANRHFSA-N	411.505	5.149	30	20	HKED	
Cc1csc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1C#N	574721198	FRUDIBVVMBIHLZ-UHFFFAOYSA-N	424.370	5.057	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)c1ccccc1	582054625	OUWFMRMRQPLWSX-HXUWFJFHSA-N	405.885	5.692	30	20	HKED	
C[C@@](Cc1cccc(Br)c1)(NCc1nc(C#N)cs1)c1ccccc1	584558767	IRBZPZZHOQRWLC-FQEVSTJZSA-N	412.356	5.025	30	20	HKED	
CC(C)(C#N)c1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)cc1	602759389	TZXFFVOOUSQZSG-NRFANRHFSA-N	402.885	5.307	30	20	HKED	
Cc1nc(SCC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c(C#N)c(C)c1C	603578148	HWRICDRYAMIDKA-HNNXBMFYSA-N	421.488	5.209	30	20	HKED	
Cc1ccc(C)n1-c1nc(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)cs1	603968897	JQEWUDZRARRTQN-UHFFFAOYSA-N	418.547	5.332	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(OCc4cccnc4)cc3)cc2)cc1	604456695	DNRHFXPGNYSNHR-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=CCN(C(=O)C[C@@H]1CCOC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	606757406	LIJHFCXMZGNKHL-SFHVURJKSA-N	404.535	5.423	30	20	HKED	
C=CCCCCCN(C)C(=O)Cc1csc(-c2cccc(Br)c2)n1	606814439	KNLJUPSMBYWMCW-UHFFFAOYSA-N	407.377	5.320	30	20	HKED	
C=CCCCN(C)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606929300	MVYYYDMZVOGRQQ-AWEZNQCLSA-N	422.392	5.550	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(C)c(C)c2)C2CC2)cc1	607202418	WPWJSOFQJODQEW-UHFFFAOYSA-N	417.553	5.314	30	20	HKED	
Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609062213	GHDFJDLBVJNWRY-CYBMUJFWSA-N	409.873	5.138	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)o1	609079300	VDZFQEYQPNOJEU-UHFFFAOYSA-N	415.493	5.544	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2ncccn2)cc1C	609207575	LOFOCFMLZGNMMH-UHFFFAOYSA-N	417.538	5.252	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	609376445	AJZQZLUYEUMUIG-ZDUSSCGKSA-N	400.573	5.134	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cs1	609414710	LTBCSWIINVHXQS-CQSZACIVSA-N	418.305	5.120	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCCc3cccc4cccnc34)cc2)c1	609436709	DDUWJQOXYHYGOU-UHFFFAOYSA-N	408.461	5.263	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)c1	609789907	KSQQJUDCUPXKDS-XMMPIXPASA-N	414.530	5.068	30	20	HKED	
CS[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	610047573	HAGAMUIVBWBEQI-QFIPXVFZSA-N	406.482	5.319	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)N(CCC#N)Cc3ccccn3)cn2)cc1	610159136	VHDIIFHWASTODH-UHFFFAOYSA-N	414.509	5.122	30	20	HKED	
C[C@H](N=c1cc(C#N)[nH]c2ccccc12)c1cccc(NC(=O)Cc2ccccc2F)c1	610273473	UDNRCTPSWXLGOG-KRWDZBQOSA-N	424.479	5.022	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCC	613392534	SBQXCHXRGMWGFC-SFHVURJKSA-N	406.507	5.488	30	20	HKED	
O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674430609	HDEPFZLUPGDYEW-QLFBSQMISA-N	412.349	5.049	30	20	HKED	
CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726073817	HXNPYGOVKCMOCV-DQEYMECFSA-N	411.505	5.120	30	20	HKED	
C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(OCc2ccccn2)c1	726470269	UFLNLNRIRQOHHU-HNNXBMFYSA-N	422.941	5.233	30	20	HKED	
FC(F)(F)c1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)ccc1Cl	727257273	XVANGXSGLJFBFT-UHFFFAOYSA-N	417.243	5.442	30	20	HKED	
C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1Cl	727491369	QKGYDBMDYWVMAT-WQRHYEAKSA-N	412.923	5.182	30	20	HKED	
Cc1ccc(Cl)c(NC(=S)Nc2ccccc2SC[C@@H](C)C#N)c1Cl	730955276	XDTHRQMJYJSYAI-NSHDSACASA-N	410.395	6.363	30	20	HKED	
CCCc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)sc1C	731060948	NQWLJAMKFJNILR-AWEZNQCLSA-N	416.568	5.056	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1	731349196	IVIIDFHPSJXIPN-INIZCTEOSA-N	417.575	5.057	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cc1	731938579	QLHPEIQPQJXSDH-IZCBMXNHSA-N	404.466	5.453	30	20	HKED	
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(O[C@@H](C#N)CC)c1	733804891	KVHUQLZMAWJGNJ-YFNKSVMNSA-N	405.542	5.235	30	20	HKED	
CC(=O)Nc1ccc(/C=C2/CC(C)(C)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1	736434430	SGDNZIZRMFSJFD-VOKWCDJLSA-N	416.521	5.460	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1nc(-c2c(F)cccc2F)cs1	744073299	CRNSSTPUFZMDQA-RWMBFGLXSA-N	416.399	5.346	30	20	HKED	
Cc1cccc([C@@H]2CCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)c1C	744418589	AHSCCIPLMKFNTE-GGAORHGYSA-N	410.521	5.068	30	20	HKED	
CCCOc1ccc(C=NO[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC	744443206	IDSWVWJBFYLZSP-CQSZACIVSA-N	415.877	5.299	30	20	HKED	
Cc1nc2ccccc2c(=O)n1N=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1	745983835	GKUOQKSVYAEHAO-UHFFFAOYSA-N	423.394	5.398	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H](c3ccc(OC)cc3)C2)c1=S	749883767	DZROWTTUPYTYRD-NRFANRHFSA-N	420.582	5.031	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1	750396275	VPTWRMDIMITYLT-LJQANCHMSA-N	420.852	5.102	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1cn(-c2cccc(Cl)c2Cl)nn1	755817200	VPDNRSZVFCCIEG-UHFFFAOYSA-N	401.175	5.006	30	20	HKED	
C#CCCCC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	760068018	IXQVQCNCCNRNKO-UHFFFAOYSA-N	405.929	5.014	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)n1	762076684	LTGZAVDRLWLHBQ-OXJNMPFZSA-N	402.519	5.477	30	20	HKED	
C[C@H](N[C@@H](C)c1cc(Br)ncc1F)c1ccc(-c2cccc(C#N)c2)cc1	762777672	HHFBNPDNADEWFQ-GJZGRUSLSA-N	424.317	5.934	30	20	HKED	
Fc1cccc2c1SCC[C@@H]2NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	764775025	SQSGMBMQMLYXEA-RULNRJAQSA-N	401.391	5.862	30	20	HKED	
C#CCC(C)(C)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	767091337	JFBLHWHVTMCLBL-ZDUSSCGKSA-N	405.361	5.108	30	20	HKED	
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	770110110	IZQACVFVEMVATH-KXBFYZLASA-N	417.843	5.365	30	20	HKED	
C=C(C)COc1cc(CNc2ccc(N3CCC(CN(C)C)CC3)cc2)ccc1OC	770595246	TVIMLKVUKGLDKN-UHFFFAOYSA-N	423.601	5.040	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	776206662	ZFPYBGKHMNTUNC-AWEZNQCLSA-N	403.351	5.167	30	20	HKED	
Cc1ccccc1-n1c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c1C	779197650	ZOXDUHRVMZGTQB-GOSISDBHSA-N	405.885	5.017	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc3ccccc3s2)cs1	780189118	TVIYMFWPPNBFMD-FLIBITNWSA-N	422.506	6.078	30	20	HKED	
O=S(=O)(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cccc(C(F)F)c1	780777061	PYXJCOQDWWFGSB-AWEZNQCLSA-N	414.779	5.157	30	20	HKED	
CC(=O)[C@@H](C)CCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	783070876	YAYHQRNWMNCMRU-BLLLJJGKSA-N	423.365	6.079	30	20	HKED	
CC(C)(CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)Cc1ccc(Cl)cc1	783072032	NRYCECHSRXLJJC-SFHVURJKSA-N	409.942	5.694	30	20	HKED	
CCOCOc1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	783586953	DSQKAOSJNUTLDZ-UHFFFAOYSA-N	406.457	5.261	30	20	HKED	
CCCc1c(NC(=S)N[C@@H](CC)c2cccs2)cnn1-c1cccc(C#N)c1	783950717	DLACIDKHMGGMJP-KRWDZBQOSA-N	409.584	5.196	30	20	HKED	
CC(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl	786446920	FDFPHPUKUWJZRA-AWEZNQCLSA-N	409.700	5.731	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)nc1C(F)(F)F	786716915	DHRFEARWDBGYIE-UHFFFAOYSA-N	424.879	5.414	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	789458330	LOGIIOAQIINIAW-UHFFFAOYSA-N	411.521	5.040	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1	796797174	LJYMNIRHXWJVBA-SFHVURJKSA-N	421.884	5.382	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)Cc2cccc(C(F)(F)F)c2)ccc1OC	798930490	RPDHACMDNOLXIY-BEFAXECRSA-N	406.448	5.116	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Cc2cncc3ccccc23)cc1	805856130	RTKBADIDZIOKBP-HOYKHHGWSA-N	413.521	5.104	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccnc(O)c1	806556108	MPMHUFXLNPIRRE-FLIBITNWSA-N	401.853	5.189	30	20	HKED	
C=CCC[C@@H](C(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1)c1ccccc1	812662624	KJIXKCHBAMWZBV-RPBOFIJWSA-N	407.554	5.107	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)c2ccccc12)c1cc(C(F)(F)F)ccn1	813214043	OJVFOANIJHLEAU-OAHLLOKOSA-N	404.775	5.162	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCC[C@H]4[C@H]4CCOC4)c23)cc1	814761835	XKIOTHOGZYXEKQ-WMZOPIPTSA-N	422.554	5.362	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1cnc2ccccc2n1)c1csc(-c2ccccc2F)n1	816045194	FFRBHOLXBWGEBZ-HNNXBMFYSA-N	416.481	5.046	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cccs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	915102728	FWIBWXIXYHSQKK-OQLYILNASA-N	424.591	5.512	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915102928	LIIRQERAQDRVDK-AWEZNQCLSA-N	407.347	5.987	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc(C)n1	915103246	NKVBNZWCXAOGBF-REWPJTCUSA-N	421.953	5.446	30	20	HKED	
Oc1nc2ccccc2cc1/C=N/C[C@@H](c1ccccc1)N1CCc2sccc2C1	915980208	YQNJDHFZPVDXOY-XQQQEEOESA-N	413.546	5.220	30	20	HKED	
CC(=NNc1ccc2ccccc2n1)c1ccc(OCC(=O)Nc2ccccc2)cc1	916286922	ZIQVBQGYFZINSQ-UHFFFAOYSA-N	410.477	5.088	30	20	HKED	
Cc1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)c1	916888339	WADAQSPCEPRGIV-INIZCTEOSA-N	420.506	5.058	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1	916951274	XZNFHWXRDXQOOE-LPHOPBHVSA-N	408.546	5.236	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)c1	917047075	QPBMDGOZONAHGD-INIZCTEOSA-N	423.950	5.801	30	20	HKED	
Cc1sc2ncn(N=Cc3cc(Cl)cc(Cl)c3)c(=O)c2c1-c1ccccc1	917538446	JBRRQWJLPWPMGK-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1-c1ccccc1CC2	917775060	WCVYLJKGPPRLTA-UHFFFAOYSA-N	409.854	5.199	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	918491519	BINASTBXRCFEOE-YWZLYKJASA-N	409.898	5.101	30	20	HKED	
Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(OCCCC(=O)O)cc3)cs2)cc1	918711773	ADRBXZSKSZCWGE-RAXLEYEMSA-N	407.491	5.258	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3cccc(Cl)c3)n2)cc1	920140468	CQFXBQJFKGUVJQ-GOSISDBHSA-N	423.950	5.445	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(CC)noc3C)cc2)CCC1	1789814804	LXSADEXPPCPSQK-FQEVSTJZSA-N	421.541	5.062	30	20	HKED	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1	1790707921	VMHOSNRBOPHJCB-UHFFFAOYSA-N	423.516	5.123	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2	1792572984	XTDWDVBTBUNYQA-MUJYYYPQSA-N	423.384	5.238	30	20	HKED	
N#Cc1ccc(-c2ccc3c(c2)C(=O)c2ccc(-c4ccc(C#N)cc4)cc2C3=O)cc1	1857776087	GVORIHHAFDWFLF-UHFFFAOYSA-N	410.432	5.539	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(CC)cc2)cc1	10827705	CDSPQRJLZZHBJB-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N	11461053	OZSDOABQTFDYBF-KRWDZBQOSA-N	416.502	5.202	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)Nc1ccc(OC(F)(F)F)cc1	18141099	LNSMGNAIBLHDJO-UHFFFAOYSA-N	406.882	5.685	30	20	HKED	
N#CCSc1ccccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1	39571630	KSLRIQKAPMRPBL-UHFFFAOYSA-N	416.877	5.705	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1cc(Br)ccc1F	105913149	UOSNWWZGAWSBSK-UHFFFAOYSA-N	409.258	5.057	30	20	HKED	
CC[C@@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	303387877	XQBVEGCBMUTFGU-CRAIPNDOSA-N	401.963	5.414	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1Cl	427241577	JSBQMCBUGTXQQV-LLVKDONJSA-N	424.715	5.013	30	20	HKED	
CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	427695116	LOHAYMYOINPYKC-XMMPIXPASA-N	414.505	5.436	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1	429077422	KSERGKLYELGKBY-UHFFFAOYSA-N	406.486	5.153	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cccc(N(C)C)c1	431540495	BPBWIDAGHMJORD-UHFFFAOYSA-N	414.509	5.389	30	20	HKED	
C=CCN(C(=O)c1cc(C#N)oc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	439148430	SFMLJXBLQXAUDM-UHFFFAOYSA-N	418.305	5.723	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1	439647239	LZPQUSRCBXEDBV-OAHLLOKOSA-N	407.420	5.376	30	20	HKED	
N#Cc1ccc(CN(Cc2ncc(-c3ccccc3)o2)c2ccc3nc(O)[nH]c3c2)cc1	440727984	SHXMXCNISJTCEG-UHFFFAOYSA-N	421.460	5.002	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)ccc1C#N	440801516	ASQBNRCHRLWJCY-GOSISDBHSA-N	402.494	5.005	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1nc2ccccc2o1	442685021	YCFGXLTWHPLESA-CYBMUJFWSA-N	424.243	5.812	30	20	HKED	
Cc1ccc(C)c([C@@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@@H](C)CO2)c1	444243860	IVLCUBRLAJFWCV-CPJSRVTESA-N	415.537	5.164	30	20	HKED	
CN(C)Cc1ccsc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	446961218	VXUCCAPOPFUAOX-UHFFFAOYSA-N	411.914	5.379	30	20	HKED	
Cc1ccccc1CNc1ccccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	447547915	FWXYFSBNAGHVLU-UHFFFAOYSA-N	408.461	5.386	30	20	HKED	
C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1	460926980	LZWPMFCJDBNNSY-IBGZPJMESA-N	412.921	5.256	30	20	HKED	
C=CCOc1ccc(-c2nnc(SC[C@@H](C)C(=O)c3ccc(F)c(F)c3)o2)cc1	462398064	PUUBOAQAESKVHH-CYBMUJFWSA-N	416.449	5.191	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	463817432	WVWLIDBNMNAMFM-IBVKSMDESA-N	411.549	5.818	30	20	HKED	
Cc1noc(C)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	464293869	HFTHZLBQGBEQOB-UHFFFAOYSA-N	401.344	5.227	30	20	HKED	
O=C(Nc1cc(F)cc(Br)c1F)c1c(F)cc(C(F)(F)F)cc1F	464522275	KXNSIUBSMLXDTR-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1CCC(F)(F)F	465245406	XSXCLQRFADEGSD-UYAOXDASSA-N	401.432	5.485	30	20	HKED	
CCOc1ccc(Oc2ccc(NC(=O)NCc3cc(C#N)ccc3F)cc2)cc1	466193607	GKQYHYDHBQSWCG-UHFFFAOYSA-N	405.429	5.210	30	20	HKED	
Cc1c(Cl)cccc1-n1c(SCCCSCC#N)nnc1-c1ccncc1	466609282	RUYMTEOVTCBWSV-UHFFFAOYSA-N	415.975	5.030	30	20	HKED	
C=CCOc1ccc(CN(C(=O)Cc2nc(-c3ccsc3)oc2C)C(C)(C)C)cc1	467882604	GLDGVKFIWJBVFH-UHFFFAOYSA-N	424.566	5.646	30	20	HKED	
Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(OC[C@H]2CCCO2)c1	469018531	QRPSNXARYPKNHX-LJQANCHMSA-N	417.509	5.064	30	20	HKED	
CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2c(c1)CCCO2	469171505	FUBXHRCQGWRSAW-JOCHJYFZSA-N	403.526	5.158	30	20	HKED	
C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccsc2)O1	470586407	DDIILPZYHGUQLW-KSFYIVLOSA-N	419.506	5.406	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)c1	471913908	ZYQKBXMSNNWYSF-WIYYLYMNSA-N	422.912	5.368	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	473433153	HURJNJOQABYKTE-UHFFFAOYSA-N	400.931	5.007	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Br	473930323	ZJVFQVNRNFUZFT-INIZCTEOSA-N	422.307	5.243	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	475573606	LXJOVGBHCLCEAW-UHFFFAOYSA-N	403.526	5.485	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cc(NC(=O)CC)ccc1Cl)c1ccc(F)c(F)c1	480338870	SSLIFUOVUCMBAA-LJQANCHMSA-N	407.848	5.406	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	480555184	NGYNZQIIJYEPKE-KUHUBIRLSA-N	403.404	5.545	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)Nc1ccc(F)c(C#N)c1	481598875	QVPVNIAWEWOVAX-UHFFFAOYSA-N	424.451	5.368	30	20	HKED	
N#Cc1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)ccc1OCC(F)(F)F	481853209	NOLVQGLQGSJMKP-UHFFFAOYSA-N	421.375	5.014	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482411519	JLFVNUWECYTDML-XXFAHNHDSA-N	408.317	5.249	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1ccc(F)c(F)c1	483124840	VFJXLNOUOJVKLR-UGSOOPFHSA-N	404.461	5.073	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1nccc2ccccc12	483192807	HLJBWJZLTINRDT-FQEVSTJZSA-N	412.395	5.234	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nccc2ccccc12	483231364	DODCUYLGVBMOAS-NRFANRHFSA-N	400.441	5.335	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnn([C@@H](C)CC)c1C	485335066	XZOONGQZLUVENU-ZDUSSCGKSA-N	423.330	5.284	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	485762344	IGKPMZZXOCGMCP-UHFFFAOYSA-N	402.519	5.778	30	20	HKED	
C=CCN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1nc(-c2ccccc2)cs1	499307927	NWYNGAFIFUZOMW-UHFFFAOYSA-N	421.909	5.951	30	20	HKED	
CC(C)(C)Oc1cc(F)ccc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	500046812	BBOMYOFSYISLQC-UHFFFAOYSA-N	416.337	5.352	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC1CCC(F)(F)CC1	500335259	XVQBKNXBSZCFOD-UHFFFAOYSA-N	418.328	5.444	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1	503150011	FRGBOTGYVLXLNP-GFCCVEGCSA-N	415.490	5.735	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ncccc3-c3ccccc3)cc2)cc1	504531977	FNEZLOMNHUMMLO-UHFFFAOYSA-N	405.457	5.859	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	505174384	DUBMKYDSXFDCTM-MRXNPFEDSA-N	419.978	5.405	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@H](C#N)c3ccccc3Cl)c3c(C)noc3n2)c(C)o1	505694305	LUWFFMXMLGZHNG-IBGZPJMESA-N	420.856	5.056	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	505770235	DJILURZSUQWVHS-JTQLQIEISA-N	407.804	5.127	30	20	HKED	
N#C[C@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1cccc(C(F)(F)F)c1	505928158	KDPQMPVJANEJMA-PMACEKPBSA-N	402.416	5.087	30	20	HKED	
CCN(C(=O)c1sc(Cc2ccc(F)cc2)nc1C)[C@@H](C)c1ccc(C#N)cc1	509577683	CZDDAPFCNBUAJZ-INIZCTEOSA-N	407.514	5.276	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3)n2[C@H](C)c2ccccc2)cc1	510233468	LKBTUPCBSYFZJT-YKSBVNFPSA-N	424.573	6.090	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(Br)c1	510515172	PNRGHSVETZVLHN-LLVKDONJSA-N	409.736	5.749	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2csc3ccccc23)cc1	510628554	HXBOTIBUZFAKAR-UHFFFAOYSA-N	419.550	5.080	30	20	HKED	
CCOc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC	510764572	OUVNCHZCLMKNIH-UHFFFAOYSA-N	418.518	5.047	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2	511321218	JMXKVWOUBQPHAN-XDTJVVMOSA-N	403.526	5.278	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C	511976584	IKDNQEBTDSKEAZ-QHCPKHFHSA-N	407.558	5.019	30	20	HKED	
COc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	515628897	REKOKQDWYKURPJ-UHFFFAOYSA-N	418.518	5.192	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(-c2cccs2)n1	517287172	MPZNNJLUHPPHLP-UHFFFAOYSA-N	405.957	5.269	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1	517288157	KPQXDOQSNQANST-NRFANRHFSA-N	423.944	5.127	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21	518758986	PXKJMYCBGNBKDB-IAGOWNOFSA-N	411.596	5.410	30	20	HKED	
COc1ccc(CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C2CC2)cc1	521090401	KIXIYEAUQVKLBB-UHFFFAOYSA-N	412.489	5.358	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)c1	524554717	XCTBNAPMFMINPN-UHFFFAOYSA-N	406.869	5.155	30	20	HKED	
Cc1ccc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C2CC2)cc1C	524840907	WJDLRSKKVMLNQJ-UHFFFAOYSA-N	400.478	5.152	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(F)cc2F)CCC1	535679369	HNSNHIGXCCKWMR-CQSZACIVSA-N	401.482	5.560	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(CC(C)C)c3C(F)F)n2)cc1	536205631	WXWYPEGZPVWKSS-HNNXBMFYSA-N	414.481	5.399	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1	536381634	IIARQLKXEBZEJH-FQEVSTJZSA-N	414.461	5.115	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1c(F)cccc1Cl	540475027	KJARXHTYTSHNBS-KGLIPLIRSA-N	405.926	5.163	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N1CCC(CC#N)CC1	541463300	TXUIFGMFNCKOEW-UHFFFAOYSA-N	408.502	5.568	30	20	HKED	
CO[C@@H](c1cccc(Cl)c1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1	545741552	UOSJDUNDCTXSTI-NEQMZLFVSA-N	418.884	5.498	30	20	HKED	
N#Cc1cc(-c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)cnc1C(F)(F)F	551442095	KFMIOPKDGINCBL-LBPRGKRZSA-N	416.256	5.100	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)Cc2c(F)cccc2C#N)nc1-c1ccc(Cl)cc1	552092897	NBOFKIBCGSUXOX-GFCCVEGCSA-N	413.905	5.203	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCCc3ccc4ccccc4c3)CC2)c(F)c1	552345991	UJDCKFQDFXBECQ-UHFFFAOYSA-N	416.496	5.243	30	20	HKED	
Cc1ccc(Oc2ccc(NC[C@H](C#N)CCC#N)cc2Cl)c(Br)c1	554551421	AYNQEFCKBCXTBO-AWEZNQCLSA-N	418.722	6.059	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(SC2CCCC2)cc1	568438489	WGNAMIGJYBWZGW-UHFFFAOYSA-N	409.555	5.273	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](c3nc(CSc4ccc(Cl)cc4)no3)C2)c(F)c1	570968428	GQBNACORFSMMJY-CQSZACIVSA-N	414.893	5.020	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccc(Br)cc1C#N	573394857	LLRLMBIGDPKMHD-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Br)ccc1F	574164014	AEVAGVPFKHNVMO-LBPRGKRZSA-N	422.323	5.162	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F	574841489	YDQRNRWIXFPZCK-HNNXBMFYSA-N	403.404	5.108	30	20	HKED	
N#Cc1ccc(CNc2cccc(C(=O)NCc3ccccc3)c2)c(C(F)(F)F)c1	575790718	RUFJVJBABOUBEB-UHFFFAOYSA-N	409.411	5.119	30	20	HKED	
N#CC[C@H](Cc1nc(-c2cccc(Oc3ccc(Cl)cc3)n2)no1)c1ccccc1	583228546	CSJDQPHLAPPWMM-QGZVFWFLSA-N	416.868	5.817	30	20	HKED	
N#Cc1cc(Br)ccc1CSc1nnc(-c2ccccc2Cl)o1	588103629	UJMRMODUUYLTOE-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
Cc1sc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C#N)c1C	594668804	KVLXEMMJHAMCQE-UHFFFAOYSA-N	422.350	5.292	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	603647304	IIRSDMJDZCJUDH-IAZYJMLFSA-N	413.749	5.243	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)sc2C)cc1	603971098	NFMHWYIOVVKDFD-UHFFFAOYSA-N	406.507	5.667	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)s2)cc1	604083599	OFOQNQLQUUMOGR-HXUWFJFHSA-N	406.486	5.114	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4cccnc4)cc3)cn2)c1	604434264	YPIBAKIJPWHBHF-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1cc(F)c(F)c(F)c1F	605105907	OPZDBHZGAQCPRZ-UHFFFAOYSA-N	420.309	5.638	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(OC3CCCC3)c2)c1	608803510	LTNFQGFQQOHONI-UHFFFAOYSA-N	402.450	5.304	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSC[C@H]3CCCCO3)c2C#N)C1	608932234	GRECDPYBJFJBOR-HUUCEWRRSA-N	406.617	5.012	30	20	HKED	
COc1ccc(CCCCCC(=O)N(Cc2ccco2)c2ccccc2C#N)cc1	608935850	HNVIWSYCKFEYOO-UHFFFAOYSA-N	402.494	5.496	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1nc2cc(Cl)ccc2s1	609378177	SVBMCRGLFLWWHF-CYBMUJFWSA-N	415.971	5.773	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC2CCOCC2)cc1	610224735	KTCNBLYDSYOKLV-UHFFFAOYSA-N	404.491	5.097	30	20	HKED	
CCN(CC)C(=O)c1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1Cl	611093486	ZQUFFQRXFHYUAH-UHFFFAOYSA-N	424.715	5.253	30	20	HKED	
N#CCCn1cc(CNc2ccc(C(F)(F)C(F)(F)F)cc2)c(-c2ccccc2)n1	613657758	MRFBYOUDQJHVMW-UHFFFAOYSA-N	420.385	5.730	30	20	HKED	
CC(C)(C#N)CCCCN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	618281332	KCXCOQXBKZKMMK-XMMPIXPASA-N	424.633	5.895	30	20	HKED	
CC(=O)N1CCCCC[C@@H]1C1CCN(c2c(C#N)cnc3c(Cl)cc(C)cc23)CC1	619792415	OAKFNCZVECPNPR-JOCHJYFZSA-N	424.976	5.076	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc1	726940203	NPHAEPOKQXJKRK-UHFFFAOYSA-N	422.326	5.324	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	729069312	IBOKMYAICMJZHH-UGKGYDQZSA-N	412.489	5.710	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)ccc1OC	733656427	KUTFTXHJALOEOH-APWZRJJASA-N	421.497	5.025	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)c1	733775535	ZFYIMDGHFNIVKO-LJQANCHMSA-N	408.498	5.474	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)s1	734060167	PSFQJUWDXHTMIQ-MOPGFXCFSA-N	409.942	6.330	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(F)c1	734964499	AZPUWOHPWPURGG-XHDPSFHLSA-N	406.404	5.824	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(Cl)c2)[n+]2ccccc2)c1	736268382	DVMFXYORFZZMAA-UHFFFAOYSA-O	409.893	5.071	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)OCCCCC#N)c12	738701776	JNTUGCHLEBPKNO-UHFFFAOYSA-N	403.360	5.068	30	20	HKED	
Cn1ccnc1-c1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	740450444	SDTHPNAOXVHZGI-UHFFFAOYSA-N	413.506	5.009	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3c[nH]cc3-c3ccc(F)cc3)c2)s1	742079105	YSZCVBFQSFBIOC-UHFFFAOYSA-N	401.466	5.351	30	20	HKED	
COCc1cccc(/C=C\C(=O)c2ccc(Br)cc2Br)c1	742429292	KSAMYHOVRXIOHX-YVMONPNESA-N	410.105	5.254	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	742537238	JGBHLZKLTDATBQ-FQEVSTJZSA-N	422.326	5.739	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1cccc(Cl)c1	743093286	QOQASEMKNSFGCS-UZUQRXQVSA-N	419.912	5.584	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCSc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	744034671	JTVALBZRRJTVDJ-IRXDYDNUSA-N	410.951	5.919	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)n1	747192798	ALJVCVMVIOFRAX-LBPRGKRZSA-N	423.485	5.704	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)nc12	750725378	SQIMXNSIHBXQCR-DBWMJRBXSA-N	402.454	5.024	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCC5(CCOCC5)CC4)c23)cc1	751523302	YERNCJDKHMPSEM-UHFFFAOYSA-N	422.554	5.506	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C2SCCS2)c1	752623857	BLZMKFSBUGJJCH-VQTJNVASSA-N	409.580	5.469	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl	752680348	WFZOJCRMAXJPLA-VPZZIHKRSA-N	421.925	5.117	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	755379215	ONJXDFCVJQYNCA-CQSZACIVSA-N	409.232	5.316	30	20	HKED	
CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(F)cc2OCC#N)cc1	760800617	GIAMGSGHYLBVHA-UHFFFAOYSA-N	403.457	5.007	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cccc(OCc3ccc(F)cc3)c2)c1	766468698	IGYVABFDIZIBNC-QHCPKHFHSA-N	404.485	5.375	30	20	HKED	
Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=NOCc1cccnc1	766718069	YAKSIYJIGSPMIL-UHFFFAOYSA-N	402.429	5.058	30	20	HKED	
Sc1nnc([C@H]2CCCCO2)n1N=Cc1c(Cl)cccc1Oc1ccccc1	769586106	OOIOLLHFLICPHX-GOSISDBHSA-N	414.918	5.136	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1	780678702	WBMBWSYUVIZNFL-GOSISDBHSA-N	420.557	5.065	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2	782743534	HOMBXMKFCHVTQD-IVZQSRNASA-N	416.550	5.428	30	20	HKED	
C=CCN(C(=O)CC1OCCCO1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	790114623	PARXMWDZUBGKNT-UHFFFAOYSA-N	420.534	5.149	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccc(Br)cc2F)C2CC2)c1	794808854	CRJZNPOUFUKEEH-LAUBAEHRSA-N	417.322	5.510	30	20	HKED	
N#CC[C@@H](CC(=O)OCC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	795981631	DIAGZXKSKBFNRD-FQEVSTJZSA-N	414.461	5.048	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1	796719337	MNYSZVSDEVZPCB-KRWDZBQOSA-N	404.470	5.017	30	20	HKED	
Cc1ccc([C@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)s1	804289846	YJGATDGGDZWDFJ-HNNXBMFYSA-N	401.963	5.066	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1	808057204	MKFYUVIXSRWRFY-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
C=CCC[C@H](NC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)c1ccc(C(F)(F)F)cc1	809733114	WLFJIXMLQNIOOV-SLFFLAALSA-N	417.427	5.133	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=S)NC34CC5CC(CC(C5)C3)C4)cc2)ccn1	811707482	CLGJNAMMKQLJCS-UHFFFAOYSA-N	404.539	5.001	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(C)s1)[n+]1cc(O)cc(-c2ccccc2)c1	811724040	XRVCLFTVQVTFQT-UHFFFAOYSA-O	423.583	5.094	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](Nc1snc(Cl)c1C#N)c1ccccc1	811869438	NVQZCVIHUMJFOJ-HNNXBMFYSA-N	406.939	5.126	30	20	HKED	
C#Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	813044561	IVCQJAYHVVCNEU-UHFFFAOYSA-N	405.885	5.210	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1ccc(SCc2csc(C)n2)cc1	818033968	SSPGSDVVPYBKDL-UHFFFAOYSA-N	410.520	5.233	30	20	HKED	
CCN(C(=O)c1ccc(OCc2ccccc2)c(OC)c1)[C@H](C)c1ccc(C#N)cc1	914509084	ATODUXYHMNMILB-LJQANCHMSA-N	414.505	5.369	30	20	HKED	
FC(F)(F)c1cccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c1	916278154	CSXNAOFRFCRILH-UHFFFAOYSA-N	412.440	5.212	30	20	HKED	
CCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916628326	RLQKSOMIAYSDMX-NRFANRHFSA-N	416.546	5.910	30	20	HKED	
N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc2ccccc2n1	916849720	YSVNKZVUAOOLJR-QRWBLDLWSA-N	409.327	5.145	30	20	HKED	
CC(C)Cc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916927683	BHCFIYIMPGQEKW-QGZVFWFLSA-N	403.309	5.082	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C)o3)n2)cc1	916951242	XYPXZUFMESXTGD-KUHUBIRLSA-N	421.522	5.115	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)o2)c(C)c1	920108116	AEPQADNJNFIXQC-QGZVFWFLSA-N	422.868	5.090	30	20	HKED	
CC(C)c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	920804579	VYISFLVGHVRYNA-INIZCTEOSA-N	412.461	5.467	30	20	HKED	
COc1cc2c(cc1NC(=O)Nc1cccc(OCCCC#N)c1)oc1ccccc12	920939346	YNRJYVLAFGUBCD-UHFFFAOYSA-N	415.449	5.921	30	20	HKED	
CC(C)Oc1cccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	921131355	IZURWDAMUHKAAB-LJQANCHMSA-N	410.926	5.670	30	20	HKED	
CSc1nc(O)c(C(=O)O[C@H](c2cc(Cl)cc(Cl)c2)C(C)C)cc1C#N	1584500653	JTHDJSQTAGRDII-HNNXBMFYSA-N	411.310	5.242	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCSCC3)CCC2)cc1	1789455100	JQQBZNKUDVFJQJ-NRFANRHFSA-N	412.599	5.032	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)c3ccccc3)CCC2)cc1	1791583758	HRYBKCIYQHTHKS-HXUWFJFHSA-N	402.538	5.118	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl	1799547348	TZJDWDHDTNHFIG-YYIAUSFCSA-N	421.368	5.014	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832403847	BMPRPCWRIBUTKF-NVQXNPDNSA-N	414.634	5.345	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1	10170619	UBQQWDAYQANXQB-UHFFFAOYSA-O	417.598	5.939	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(CC)cc2)cc1	10174893	DMNLTVYJNMTRBX-UHFFFAOYSA-O	417.598	5.712	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)o1	25437877	TYAFVMUCFWIYTL-UHFFFAOYSA-N	410.477	5.494	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C	32291156	PHPIGGZLUAZWCN-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
C[C@@](Cc1nc2ccccc2s1)(C(=O)Nc1ccc(CC#N)cc1)c1ccccc1	57978136	TXYFMBUBOSSBQF-VWLOTQADSA-N	411.530	5.501	30	20	HKED	
N#CC1CCN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)CC1	60874533	GDXKYABHBMQZEJ-UHFFFAOYSA-N	402.548	5.827	30	20	HKED	
Cc1ccccc1N(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1nc2ccccc2s1	69088905	GYXBSYFJGTVPFM-KRWDZBQOSA-N	413.502	5.609	30	20	HKED	
C=CCn1c(SCc2cnc(C)s2)nc2scc(-c3cccs3)c2c1=O	195595152	FQCSVBHGKKVFJA-UHFFFAOYSA-N	417.606	5.430	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cc(OC)c1OC	213501715	ZVWCICOLYAVQFH-DAXSKMNVSA-N	401.673	5.569	30	20	HKED	
Cc1sc2nc(/C(Cl)=C\c3ccc(C#N)cc3)[nH]c(=O)c2c1-c1ccccc1	229928068	QPJHXFPHWXPBFG-GZTJUZNOSA-N	403.894	5.569	30	20	HKED	
CC(C)(C)c1nc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1	303096748	ARIBVCWPTYATAO-LJQANCHMSA-N	423.969	5.931	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1	303419192	XUIITZAWHGHHAT-LJQANCHMSA-N	419.550	5.172	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)c2)cc1	303565360	ATVSCXMVFZBWHT-UHFFFAOYSA-N	400.453	5.081	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	303568668	BFRIPRWGEQTHFL-UHFFFAOYSA-N	416.477	5.185	30	20	HKED	
C=CCC[C@H](C(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1)c1ccccc1	427811183	LJVMHUYCKJLMDY-IBGZPJMESA-N	405.523	5.457	30	20	HKED	
Cc1cc([C@H]2CCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1Br	430226121	LXTSCJYMSJJDEY-LJQANCHMSA-N	423.314	5.016	30	20	HKED	
CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](c1ccccc1)c1ncc[nH]1	432795166	DRBOGPMBJSYVQJ-QHCPKHFHSA-N	423.476	5.327	30	20	HKED	
N#CCCn1cc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c(-c2ccncc2)n1	434982798	NERLNBDNZZODNA-SDHSZQHLSA-N	411.553	5.017	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CSCc1cscn1	437364007	NLXSSJGLAWZNSR-UHFFFAOYSA-N	413.955	5.135	30	20	HKED	
COc1ccccc1C1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	437493357	DZVRRXSLIHSUIJ-UHFFFAOYSA-N	402.425	5.169	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(CCOCC3)C2)cc1Cl	437734624	IYTGZBDYLGODFP-FQEVSTJZSA-N	409.917	5.030	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(COC2CCCCC2)c1	438228746	GUEAWUQELMGKOF-RPBOFIJWSA-N	417.553	5.840	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cc1)c1ccccc1	438854830	XIXOPHQSRNQMFF-PMACEKPBSA-N	412.331	5.341	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1Cl)c1cccc(NC(=O)Cc2ccccc2F)c1	439429939	HESNBTFYMHOZIQ-MRXNPFEDSA-N	421.903	5.383	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(Br)s1	444097146	AEFVXVNQFFMLDG-NUEKZKHPSA-N	418.360	5.053	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1cc(Cl)sc1Cl	445752077	PMVOZXMXEKTBFG-UHFFFAOYSA-N	409.338	5.328	30	20	HKED	
CC(C)c1ccc2ncc(C#N)c(N3CCC(n4cc(Br)cn4)CC3)c2c1	447683020	MHIZGACYRQTHGN-UHFFFAOYSA-N	424.346	5.030	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)CC1	460574759	FVCHNWKBPGUQMW-JTSKRJEESA-N	418.969	5.043	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	460946903	DHWVBPLWXIDQQN-LZQZEXGQSA-N	420.479	5.312	30	20	HKED	
Cc1oc2ccccc2c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	464557911	OVTXJBBIABDSEF-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
Cc1cc(C2CC2)nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1	464593340	MRSNHMFSLBRHSA-UHFFFAOYSA-N	404.857	5.232	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N[C@@H](C#N)C(C)(C)C)c2nc3ccccc3s2)c1	464706272	BSUULXUUQTWUOG-RKCQOLGWSA-N	419.550	5.290	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSC[C@H]1CCC2(CCCCC2)O1	466755635	PIKLKRYMTFHXDO-ZWKOTPCHSA-N	418.628	5.634	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1	466831236	LNGLMPSVPUCGFT-KRWDZBQOSA-N	412.917	5.283	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccccc1-n1cccn1	470597752	CDDUBAQDSKCZKR-IRXDYDNUSA-N	405.527	5.149	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)c1cccc(SCC#N)c1	470878952	DCBJECQEPBYESQ-UHFFFAOYSA-N	408.548	5.215	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc3ncccc3c2)cc1	472534531	HLYSOBNEJWLLLZ-UHFFFAOYSA-N	424.479	5.158	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	473799773	UYXNDNJOIACMIL-JOCHJYFZSA-N	420.900	5.305	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccccc1F	476633059	BVOLCBCZGPSSQQ-NSHDSACASA-N	421.419	5.051	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)cc2)nc1	478557038	CABKSAQTSQGZQG-KESTWPANSA-N	403.869	5.075	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(CNc3ccccc3)cc2)c1	478806032	NPTUVMCRWSIRNE-UHFFFAOYSA-N	423.472	5.595	30	20	HKED	
CCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)[C@@H](C)c1ccc(C#N)cc1	480118263	LMQAFMFDVDLVLR-PNHOKKKMSA-N	402.416	5.170	30	20	HKED	
C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(NC(=O)c2ccccc2)c1	481921657	NPVYFRYMDMGDGD-AFMDSPMNSA-N	409.533	5.929	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	482435697	NBGULZNGJUIZNO-OAHLLOKOSA-N	420.403	5.351	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCc3csc(Br)c3)c2)cc1	482753734	PQAXGYKYMVPJEE-UHFFFAOYSA-N	413.296	5.105	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1csc(-c2ccccc2)n1	483342302	PHRAJHNYBCWQHB-MRXNPFEDSA-N	422.579	5.426	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SCC#N)c1cccc(Br)c1	487933484	URTLMGDPLMSGIN-ZDUSSCGKSA-N	421.385	5.498	30	20	HKED	
COc1ccc(CSc2nnc(SCc3cccc(F)c3C#N)s2)cc1	488214844	FCVYILROHNTCCH-UHFFFAOYSA-N	403.529	5.142	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccs1	489444492	YTAHNJPJFLBOOE-INIZCTEOSA-N	412.584	5.237	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4ccccc4)o3)o2)cc1	489783228	KIZAWYGHRIKZRJ-AWEZNQCLSA-N	406.467	5.205	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1Cl	495307668	GBEFUGUEIMCAGO-KRWDZBQOSA-N	415.802	5.662	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Cc1ccc(Br)cc1	498298042	OKTNIAZTAFIKRY-HUUCEWRRSA-N	417.372	5.661	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCCCc2ccccc2)cc1C	498614805	KSBVMAGRQIHKTJ-UHFFFAOYSA-N	414.553	5.176	30	20	HKED	
C=C[C@H](Cc1nc(-c2ccc(NC(C)=O)c(C(F)(F)F)c2)no1)c1ccccc1	499625882	NHGURNYTNAGQMP-CQSZACIVSA-N	401.388	5.226	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1	504664736	BQHKGDGNSFXVFG-AREMUKBSSA-N	423.516	5.155	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4CCC(C)(C#N)CC4)cc3)sc2c1	506026934	JEFUXUUGIWEDFO-QGZVFWFLSA-N	418.566	5.224	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CCC[C@]12CCCCO2	509659536	URLJEPLUKGJWHQ-PZJWPPBQSA-N	418.415	5.033	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	510999887	PHBFWLYSWYAMOR-UHFFFAOYSA-N	415.440	5.195	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	513209481	CNJPAMBWXPBIGT-LLVKDONJSA-N	423.753	5.346	30	20	HKED	
Cc1oc(C2CC2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	513616433	ARSMGHIXNDTMMV-CYBMUJFWSA-N	418.305	5.781	30	20	HKED	
CC[C@]1(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)OCCc2ccccc21	514818541	MWWKPLAGWXRZMQ-UZUQRXQVSA-N	409.555	5.081	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1	518743007	IETWUIUTNKONAX-STQMWFEESA-N	409.338	5.794	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCSc2c(F)cccc21	518752875	BFRAAYRMMTWOTQ-CJNGLKHVSA-N	401.532	5.579	30	20	HKED	
Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	519558552	LVUHMDKUFOWBJP-DENIHFKCSA-N	407.583	6.539	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc(-c2c(F)cccc2F)cs1	520431525	QVACTSAWPFMLHZ-AWEZNQCLSA-N	424.403	5.977	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1	520856693	NLVZECVLXKXCGW-SFGWALBWSA-N	409.555	5.228	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1	520924289	STESUYDIELDQFQ-CQSZACIVSA-N	423.563	5.774	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1	521717471	YHAGMPLWGOBLHH-JKSUJKDBSA-N	401.329	5.197	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OCC(F)(F)F	523446123	LGOIJGUYMDZKAI-UHFFFAOYSA-N	419.447	5.498	30	20	HKED	
N#Cc1c(NC(=O)c2ncoc2-c2ccccc2Cl)sc2c1CCCCCC2	525647334	GZRGJPKTOIRNGR-UHFFFAOYSA-N	411.914	5.839	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)CCC(=O)Nc3ccccc3C#N)s2)cc1	533425760	ZZYRYNFLGRQNSH-SFHVURJKSA-N	418.566	5.320	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc2c(c1)OCO2	535610164	ARKOGTHPPLNTMI-UHFFFAOYSA-N	406.825	5.009	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2c(F)cc(Cl)cc2F)CC1	538209086	YSIVLADJAAETHC-UHFFFAOYSA-N	405.832	5.002	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(C#N)cc2OC(F)F)ccc1OCC(C)C	539266784	AWMCHMQULLSYAH-OAHLLOKOSA-N	404.457	5.054	30	20	HKED	
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1Cl	542993351	CYDLLROACIFWLQ-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cnn(-c2cccc(F)c2)c1CCC	543366476	OMLLGTVIKHPMMI-UHFFFAOYSA-N	417.488	5.056	30	20	HKED	
Cc1ccc(C(C)(C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1	546838033	SWOLLGAIXFIMMZ-NRFANRHFSA-N	418.928	5.756	30	20	HKED	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCOCCC#N)nnc1-c1cccs1	549013569	ZDRUUMZAYNJZGR-LUKYLMHMSA-N	402.589	5.026	30	20	HKED	
N#Cc1ccccc1NC(=O)CCN1CCCC[C@H]1c1ccccc1C(F)(F)F	550629137	QBRCORBHYADGJI-FQEVSTJZSA-N	401.432	5.133	30	20	HKED	
CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1	553520907	RXBWAYLTWWOWAD-SFHVURJKSA-N	419.308	5.126	30	20	HKED	
Cc1ccc(-c2noc([C@H](C)NCc3ccc(-c4ccccc4C#N)cc3)n2)cc1F	557311475	ZHTFLVYWDIYDGE-KRWDZBQOSA-N	412.468	5.574	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)c2ccccc21	581360666	UEYASMQNPQORSL-JOCHJYFZSA-N	414.892	5.505	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1nc2cc(Cl)ccc2s1	582377480	KFQVEXWOVXGNMD-UHFFFAOYSA-N	416.978	5.265	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F	583845265	FGTAWIZCYUHPDC-OAQYLSRUSA-N	417.475	5.147	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1	588635264	VULAAXYTBBZGBQ-UHFFFAOYSA-N	411.303	5.405	30	20	HKED	
CC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	591930707	DUXDLRRSBGGRNQ-UHFFFAOYSA-N	423.284	5.083	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434545	WRLVXMQDLRRRTC-OAQYLSRUSA-N	403.507	5.953	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCc2ccccc2)CC1	609434589	AYBNCRIMXAHVPE-IBGZPJMESA-N	407.583	5.958	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCCCCN3CCCCC3)cc2)cc1	609553159	QNNLKJKGALRTNH-UHFFFAOYSA-N	406.530	5.128	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1	609742616	IUIUPBRAXAQQGM-JOCHJYFZSA-N	418.880	5.687	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	609792682	PVFWDUUSHQUSHJ-CYBMUJFWSA-N	419.312	5.259	30	20	HKED	
Cc1nc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)ccc1C#N	610112914	SXNVTSNBPGUKBB-HXUWFJFHSA-N	400.482	5.017	30	20	HKED	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NCc1cccc(OCCCC#N)c1	610909766	GPBZBHAFYZBHEA-UHFFFAOYSA-N	415.541	5.275	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	669729488	VKHOUYYPXMAPDZ-QWRGUYRKSA-N	416.337	5.352	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccc2ccccc2n1	677377707	SGJTUBCWTDQNHO-HNNXBMFYSA-N	419.200	5.506	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F	681491370	HXSSYUWUPDGQJO-XFWSIPNHSA-N	416.328	5.172	30	20	HKED	
CCOC(=O)CCOc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)cc1	727975960	YOHKJXMTNNLAQD-OUKQBFOZSA-N	407.491	5.038	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C(C)C)c1	728248007	YFCQMBYPBRCRKA-UHFFFAOYSA-N	422.937	5.690	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3c(C)cccc3C2=O)cs1	729151128	PNQPSEFLFLQLNI-XNTDXEJSSA-N	408.910	5.612	30	20	HKED	
CCOc1ccc(-c2nc(COC(=O)c3cc4ccccc4n3CC#N)cs2)cc1	729651610	DPEPFIZPEOBMLT-UHFFFAOYSA-N	417.490	5.044	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc2cc(F)ccc2s1	730422558	YPFDMEFHMOHJDN-GFCCVEGCSA-N	423.296	5.778	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCCC2=O)cc1	730579508	TVEMLZBMWMGQND-FMIVXFBMSA-N	408.910	5.486	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)Nc1ccccc1Oc1ccccc1	730954556	CPKLRJWKKLBNDR-KRWDZBQOSA-N	419.575	6.540	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](O)c3ccc4ccccc4c3)cc2)cc1	732290885	HIESXJHTOAWBBF-SANMLTNESA-N	422.484	5.162	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(S[C@H](C)CC)cc2C)c1	733843777	AMDBOVZQZYGFNG-IEBWSBKVSA-N	411.571	5.888	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2C[C@@H](c3ccccc3)C[C@@H]2C)c1=S	734477608	RSWGUELLLXCRAA-UGKGYDQZSA-N	404.583	5.026	30	20	HKED	
CCCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1cccc(C)c1	735230527	MOAYIFSXZZNASS-UHFFFAOYSA-N	412.946	5.512	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	736955483	LAHNDKSFGYWRSI-MHECFPHRSA-N	417.940	6.090	30	20	HKED	
CC(C)=CCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	744031162	RSOILCXGKZMFDH-QGZVFWFLSA-N	417.292	5.300	30	20	HKED	
CC(=NNc1c(Cl)cc(Br)cc1Cl)c1ccc([S@@](C)=O)cc1	746371412	BHEJVZOABNPMLI-JOCHJYFZSA-N	420.159	5.329	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1	750677808	ISYJHOAFNQNPQM-IUODEOHRSA-N	406.898	5.122	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Cl)ccc1Br)c1nc2ccccc2s1	751151940	IIDQDNVJBAQQQT-ZDUSSCGKSA-N	419.731	5.521	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1F	752038565	GPQXRSMAOHNDLD-NQIIRXRSSA-N	423.488	5.085	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1coc(-c2c(F)cccc2F)n1	752808990	LQEMLSWEURWOSY-UHFFFAOYSA-N	406.841	5.609	30	20	HKED	
O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl	752831647	NIUAJNYQVSUHMT-NSHDSACASA-N	418.671	5.065	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(Cl)cc3c2OCC3)cc1	754109866	QEGFHONBNXEGHP-QFIPXVFZSA-N	402.881	5.112	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	754430512	DRZIFAJMQYHJJX-NRFANRHFSA-N	423.513	5.256	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NOc2ccccc2C(F)(F)F)cs1	754712860	VYWBEACMLFNRST-UHFFFAOYSA-N	419.428	5.568	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nn(-c3ccccc3)c(=S)s2)c1	754888258	VAXPYVCHNVXVIE-UHFFFAOYSA-N	420.382	5.590	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3cccc4ccccc34)C2)c1	758495150	MBIPMOHLOCRSRO-QFIPXVFZSA-N	411.505	5.130	30	20	HKED	
CC[C@@](C)(CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1OCCO1	758536316	VEMVAMIIWYUQDE-RDGATRHJSA-N	421.541	5.033	30	20	HKED	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	765969935	YMXFHLRNSZAPGN-OPAMFIHVSA-N	419.456	5.123	30	20	HKED	
CC(=NNc1cccc(S(C)(=O)=O)c1)c1sc(-c2ccc(Cl)cc2)nc1C	776264651	YRVSDNIMFLUQEH-UHFFFAOYSA-N	419.959	5.012	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1	777239332	STELEFHYTBGJOF-SFHVURJKSA-N	421.928	5.316	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccc(OC)cc2)c2ccccc2Cl)c1	779105372	XDNPMDWPTWBASX-NBGIEHNGSA-N	420.940	5.909	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1ccccc1O[C@@H](C)C#N)c(C)n2C1CCCC1	780166951	USWUPXUSVFGZON-INIZCTEOSA-N	417.509	5.617	30	20	HKED	
CO[C@H](C)c1nc(COC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cs1	784103249	JWYLRPQTCHKXTH-OAHLLOKOSA-N	408.479	5.180	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(I)c1O	789891472	XHVVODOJJOBFAL-UHFFFAOYSA-N	421.278	5.101	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nccc2ccccc12	792105950	OIYKQGWKIWZNEG-DEOSSOPVSA-N	408.457	5.069	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1	793309761	QTPBKMNVHCDAIY-LJQANCHMSA-N	401.535	5.337	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(OC(C)C)c(Cl)c2)ccc1OC	793541184	PVDXJMFLRYEMJP-LPHOPBHVSA-N	416.949	5.668	30	20	HKED	
C#CCCCCCC(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1	799504999	DEOYJEXMEYVUPH-UHFFFAOYSA-N	403.295	5.100	30	20	HKED	
CC[C@@](C)(C#N)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	803783811	FDRPEUYTJOIGGF-FQEVSTJZSA-N	419.934	5.081	30	20	HKED	
CSc1cc(Br)ccc1/C=C1\C[C@@H](C(=O)O)c2ccccc2C1=O	806561973	FISKTPGPRCKHBF-OQRGYWNNSA-N	403.297	5.009	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc2cnn(C(C)C)c2nc1Cl	809705628	WYNZOGXRVBTWSM-UHFFFAOYSA-N	400.958	5.021	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C2CCCC2)cc1	810529251	CGABLBQUIFRNME-GOSISDBHSA-N	410.901	5.276	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC(c3noc4cc(F)ccc34)CC2)cc1Cl	811706470	GVARWLFWJXWTRM-UHFFFAOYSA-N	414.893	5.068	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCC[C@H]4CCCO)c23)cc1	814761752	WVKWFKMBRYGUNH-INIZCTEOSA-N	410.543	5.098	30	20	HKED	
C=CCN(Cc1ccccc1)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O	914570598	URWSKBLMTGOTNJ-UHFFFAOYSA-N	409.533	5.326	30	20	HKED	
Fc1ccc(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	914707431	WBTIWNMYYLUBQW-MBTKJCJQSA-N	422.797	5.675	30	20	HKED	
CC(C)N1C/C(=C\c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1	916135804	UXBCPRXYUQIAPK-FEZYOMQXSA-N	419.528	5.543	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)OC)o1	916135849	XJMQDSHKOHVWMY-NYYWCZLTSA-N	424.424	5.079	30	20	HKED	
Cc1cc(C)nc(NN=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)n1	916241889	KZDVNYLMPFJVAX-UHFFFAOYSA-N	414.296	5.099	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(C)o2)nc1C	916904856	JRFZLFCLMJBXBB-QGZVFWFLSA-N	421.522	5.106	30	20	HKED	
Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920140309	BIBBXROMAZVCRN-RHSMWYFYSA-N	421.909	5.287	30	20	HKED	
O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1cccc(F)c1	920383328	DQYMVIJUPYFXGA-UHFFFAOYSA-N	424.435	5.231	30	20	HKED	
Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)Nc2ccc(CC#N)cc2)c(O)n1	1440647119	QCUHLKLJYYOIRQ-UHFFFAOYSA-N	412.493	5.036	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(CC)CCC2)CC1	1829066477	GCEUVOJKIAWXID-NRFANRHFSA-N	402.623	5.179	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccccc1)[C@H](C)CC	1847263397	HEPKRXRBSMNUEP-YPIGPJMWSA-N	410.602	5.011	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)nnc1-c1cccc(C)c1	16862955	NGTPHQCHTAPRLU-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3sccc3C#N)c3cnn(C(C)C)c3n2)c(C)s1	21893542	QOKCJDMAORLFLN-UHFFFAOYSA-N	421.551	5.543	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nnc1-c1cccc(C)c1	22093405	VETVHNHIURMVNI-MRXNPFEDSA-N	424.595	5.281	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3sccc3C#N)cc12	28605186	DOPMMZGKBTZHRD-UHFFFAOYSA-N	412.927	5.293	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1	32052079	BWDBUSZPJXCPEX-VWLOTQADSA-N	412.489	5.123	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	46648245	UGIRYSMIHSLUCV-GOSISDBHSA-N	407.539	5.181	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc2ccccc2n1	48854465	DYXKIXBFUPAKBI-NRFANRHFSA-N	406.445	5.369	30	20	HKED	
CCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)[C@H](C)c1ccc(C#N)cc1	54340666	HRMFDTMKXNJZMJ-MRXNPFEDSA-N	413.481	5.155	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c1	55724724	SCOKDJUXDWOLAC-UHFFFAOYSA-N	404.441	5.204	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(COCCc2ccccc2)c1	65479110	QXBHCTWKALQNED-UHFFFAOYSA-N	406.551	5.728	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1	108439323	ZVRRPQVABHBPKC-SFHVURJKSA-N	402.469	5.603	30	20	HKED	
N#Cc1c(Cl)nsc1N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	301970817	FEURGWWHSWKDGJ-UHFFFAOYSA-N	408.836	5.289	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(F)c(Cl)c3)c2)cc1	303138438	PRAKVBSUGWQDDD-UHFFFAOYSA-N	423.875	5.446	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	303217391	QSYHVLUTSXHZQK-UHFFFAOYSA-N	404.341	6.237	30	20	HKED	
N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c(Cl)c1	430365840	GWJNZQXNULVLON-UHFFFAOYSA-N	420.881	5.292	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)s1	430609632	HXWQMKZXBIREBF-OAHLLOKOSA-N	411.914	5.771	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2NC(=O)c2ccccc2)sc2ccc(C#N)cc12	431951252	HNSVZBBRZVKTJX-UHFFFAOYSA-N	411.486	5.586	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1	432701343	YJADPSFECHCZJX-OAQYLSRUSA-N	410.477	6.051	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN(c2ccccc2)C1	432869303	VKQXCNSTWQAMAB-RTBURBONSA-N	408.571	5.119	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2[nH]nnc2-c2ccccc2)cc1Cl	435528422	VRBSOHHQYGKBAV-IBGZPJMESA-N	413.868	5.033	30	20	HKED	
CCn1c([C@H]2CCCN2C(=O)Nc2ccc(OC(C)C)c(C#N)c2)nc2ccccc21	435535949	IDGWDXMZECKRLZ-OAQYLSRUSA-N	417.513	5.084	30	20	HKED	
O=C(NCc1ccc(O)c(F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436271917	RDBAGOSBFBCEHP-AWEZNQCLSA-N	424.316	5.043	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)Nc1ccccc1SC[C@H](C)C#N	438040391	IKFCVFBXGGKGTM-MRXNPFEDSA-N	413.612	6.532	30	20	HKED	
CN(Cc1cccc(OCCCC#N)c1)[C@H]1CCOc2ccc(Br)cc21	438492553	JXQJYTTWVOEGON-FQEVSTJZSA-N	415.331	5.087	30	20	HKED	
CC[C@H](N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1	447595092	LAAMTPHKRPRUBE-ZWKOTPCHSA-N	400.366	6.311	30	20	HKED	
C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccsc1	460383714	COFXWTXJICDOMB-INIZCTEOSA-N	418.364	5.015	30	20	HKED	
CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	461464953	SEAZKZJWVFBZRE-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1F	463031226	FDJRIJPKPCWRJZ-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	463743514	CKEYQJVPEZUWEV-AWEZNQCLSA-N	413.518	5.314	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464414880	PLQUADQUBZXSIL-MRXNPFEDSA-N	407.351	5.399	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1Cl	464952407	NHNDHPLHFGYBQW-SJLPKXTDSA-N	403.707	5.014	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1	466904267	HDXLXDPQSMBZCR-AZUAARDMSA-N	400.478	5.139	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cc1oc(-c2ccccc2)nc1C(=O)OCC	467197398	TYFYPBYILGAQDW-UHFFFAOYSA-N	416.930	5.421	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1	467700448	KSTJXKGTHBKQMR-VIFPVBQESA-N	415.334	5.593	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F	470153551	TZTDLGWKJRYQQT-VFWDIBGWSA-N	406.729	5.065	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H](c2ccsc2)O1	470597179	CWMQUZCPLQTGLB-ZHRRBRCNSA-N	419.506	5.406	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	471193035	AKSLLCHWDJQPST-UHFFFAOYSA-N	413.521	5.858	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	472742706	AAMBBGXSWBLEKO-CTNGQTDRSA-N	422.598	5.067	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)C(C)(C)C	474155341	RXPSZAFRSPCDLM-KRWDZBQOSA-N	413.562	5.459	30	20	HKED	
COCCOc1c(Cl)cc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1Cl	476593471	BTBOVAGHADFPGO-HNNXBMFYSA-N	407.297	5.045	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc(C(C)C)cs1	478571359	HLELWHZKOZCUHC-UHFFFAOYSA-N	406.511	5.561	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)N(C)c3cc(Cl)ccc3C#N)cs2)cc1	479568104	QAINSAKZOBUHFN-UHFFFAOYSA-N	411.914	5.399	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)cc1	479575424	OVPUJKSZNZJEHT-UHFFFAOYSA-N	413.546	5.108	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccc(F)c(F)c1	480574203	DHOBIQDMFOBKNX-AFJIDDCJSA-N	420.525	5.451	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	480794826	CPGQOGMIEFKXBC-AUUYWEPGSA-N	403.404	5.545	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	482509017	TWYFNNSMNLFSQN-GOSISDBHSA-N	416.496	5.741	30	20	HKED	
CCc1c(NC(=O)c2cccc(COc3ccccc3C#N)c2)cnn1C(CC)CC	482686905	BBKAWVZKTCYDBI-UHFFFAOYSA-N	416.525	5.510	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1	482960896	IJCKIHMNLZMZSX-XMSQKQJNSA-N	423.513	5.074	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)c1ccccc1	483277244	CLPJEIVQTCLKQB-GOSISDBHSA-N	417.896	5.618	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3	495285562	SWZCSDBBUCKDNO-INIZCTEOSA-N	417.465	5.058	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(C)cc1OC(C)(C)C	499311193	WBEMIMKILDRXKJ-UHFFFAOYSA-N	412.578	5.238	30	20	HKED	
N#Cc1ccsc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	499609436	IOWDYAUOASCLQF-UHFFFAOYSA-N	402.306	5.164	30	20	HKED	
C=CCn1c(SCCOc2cc(Cl)ccc2Cl)nnc1-c1cccnc1	503743895	CZUKKUZHNWSKIB-UHFFFAOYSA-N	407.326	5.004	30	20	HKED	
C=CCn1c(SCc2cccc(C(=O)NC)c2)nnc1-c1ccc(C(C)(C)C)cc1	504563847	QPMQTJPRMOTIQL-UHFFFAOYSA-N	420.582	5.081	30	20	HKED	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)N(C)[C@H](C)CC#N	506936384	GXOJUTNJPSLJJM-GFCCVEGCSA-N	405.907	5.011	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	507767963	SAKGLYMYYWQCJI-UHFFFAOYSA-N	407.533	5.799	30	20	HKED	
CC[C@](C)(C#N)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	507787864	VPBJMAFBSSDLKN-OAHLLOKOSA-N	401.344	5.016	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3coc(C4CCOCC4)n3)cc2Cl)cc1	509570688	PVOSOTJLRKOGBH-UHFFFAOYSA-N	423.856	5.138	30	20	HKED	
Cc1c(C#N)c(SCc2csc(COc3ccc(F)cc3)n2)nc2c1CCC2	513569576	UQHSLOQUGAAGKV-UHFFFAOYSA-N	411.527	5.217	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	515541831	DBNRPWRSOSBLIJ-KRWDZBQOSA-N	401.516	5.732	30	20	HKED	
CC[C@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)cc1	515670928	CQTJLVLDIJHOOS-IBGZPJMESA-N	420.900	5.078	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1	515914561	NRZQFXUFSFUPNT-HSZRJFAPSA-N	403.913	5.337	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sccc3-c3ccccc3)n2)cc1	517801185	ZTCWVRMFTUXHOK-IBGZPJMESA-N	416.527	6.037	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(N4CCCC4)c(F)c3)cc2)c1	518016910	UGCFJCFERCKZBS-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1	518240215	UXQDJZZZMBPWJC-INIZCTEOSA-N	416.502	5.998	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](CN2CCCC2)c2ccccc2)c1	518772464	DIKVIZBEHRRFMX-HHHXNRCGSA-N	411.549	5.064	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCc4cc(C(F)(F)F)ccc43)cc2)nc1	518907072	KHJBHKZZVBVAIA-UHFFFAOYSA-N	423.394	5.357	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2c(F)cccc2F)n1	519515465	JLQCOOSWFUZVFG-GFCCVEGCSA-N	415.490	5.735	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(F)cc1F	520835650	RLKBUNHTYNWSEY-UHFFFAOYSA-N	416.371	5.007	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(CC2CCCCC2)CC1	520941259	HMARXUZETYEXOD-LJQANCHMSA-N	414.619	5.201	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	521277127	MDOVFHJEVHDVBP-MRXNPFEDSA-N	424.888	5.381	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1	521734434	OJLIIHOYNCYXJA-INIZCTEOSA-N	402.523	5.254	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCc2c(ccc(Cl)c2Cl)C1	522073374	GWHWRWXGBQBDFN-UHFFFAOYSA-N	422.315	5.378	30	20	HKED	
CSc1cccc(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1	522222901	NPIDISIPGWWIIN-UHFFFAOYSA-N	413.553	5.068	30	20	HKED	
COCCCn1c(S[C@H](C#N)C2CCCCC2)nnc1-c1ccccc1Cl	522331919	LDRXZOJXZNWVPQ-GOSISDBHSA-N	404.967	5.200	30	20	HKED	
CN(C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C1(C#N)CCC1	524417300	VYOPPBBETICZJG-UHFFFAOYSA-N	405.929	5.180	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3ccccn3)c2)c1	524505534	GUDYJCUIQJSNGX-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
N#Cc1cccc(OC2CCN(Cc3csc(Cc4ccc(Cl)cc4)n3)CC2)c1	524666059	NPSZKFBUWHOCPI-UHFFFAOYSA-N	423.969	5.302	30	20	HKED	
C=C(C)[C@@H](Cc1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1)OCC	533752877	LDDHUYPBCQMCHC-HXUWFJFHSA-N	418.522	5.446	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	533938217	DQYYWNHONCYTDL-QGZVFWFLSA-N	418.378	5.201	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cnc2ccccc2c1	538567741	GVCQASPNYLYIHB-UHFFFAOYSA-N	406.486	5.023	30	20	HKED	
Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2OCc2ccccc2)c(C#N)c1C	539330232	DYNVMXHQFCVYLJ-QZTJIDSGSA-N	417.509	5.025	30	20	HKED	
CC(=O)N1CCc2cc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc21	542925087	VWFQBPHRDVTDHS-QGZVFWFLSA-N	424.504	5.017	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc1C#N	544084338	FSIPRTORPJLSPC-UHFFFAOYSA-N	415.371	5.272	30	20	HKED	
N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1)c1ccccc1	551830251	KQLPEVBFRCJAAI-JOCHJYFZSA-N	421.566	5.211	30	20	HKED	
C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2cccs2)C1	561008387	SPHHZYFVFRDJMJ-UXHICEINSA-N	408.571	5.036	30	20	HKED	
CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)Cc2ccccc21	566846512	XZCGZTSECGPPII-UHFFFAOYSA-N	424.504	5.136	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3cccc(F)c3F)CC2)o1	571225592	FHLJOOOFRFCLPW-UHFFFAOYSA-N	422.431	5.028	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)C3CCC(OC[C@H]4CCCO4)CC3)c2)cc1	571348873	RPVQXALSACBXOU-NFDBJIOVSA-N	420.509	5.043	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	579381038	BVXSWGKEYRWWEK-UHFFFAOYSA-N	415.371	5.295	30	20	HKED	
N#Cc1ccc(CN[C@H]2CSc3ccc(Br)cc32)c(C(F)(F)F)c1	581064111	APSYXBHQBPCGGJ-HNNXBMFYSA-N	413.262	5.276	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C#N)c2ccccc2n1	584137740	CDJJWPAGZOEINZ-UHFFFAOYSA-N	402.841	5.230	30	20	HKED	
CSCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)oc2ccccc12	603836908	FZVWBLNAIRHWKE-QGZVFWFLSA-N	418.543	6.218	30	20	HKED	
CC[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc2c(c1)OCCO2	609433343	VHNAPZAMVQZUNW-DEOSSOPVSA-N	414.505	5.149	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1	609535148	MWEZJWFLZSHSAZ-UPVQGACJSA-N	412.558	5.917	30	20	HKED	
Cc1ccc(-n2c(-c3ccccc3)cnc2S[C@H](C(N)=O)c2ccc(C#N)cc2)cc1	609648531	FFBKVPCTRPLBFT-QHCPKHFHSA-N	424.529	5.038	30	20	HKED	
COc1cccc(-c2nnc(S[C@H](C#N)C3CCCCC3)n2Cc2ccco2)c1	609648670	NDJAQLNSIYVXPS-HXUWFJFHSA-N	408.527	5.160	30	20	HKED	
COc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc(OC)c1	609722526	IYOCBMCXJOZPPO-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	609736764	PDDXMFPLVJXYBL-BLVKFPJESA-N	407.461	5.340	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CNc1cccc(Cl)c1SCC(F)F	609915262	FQMXVGOVSDDIJR-UHFFFAOYSA-N	416.280	5.273	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1	609927982	CDLXMTRAUOCOSM-OAQYLSRUSA-N	401.466	6.093	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(NC(=O)C(C)C)ccc1Cl	610170831	BXGVSQYOWZXKOL-UHFFFAOYSA-N	411.933	5.105	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CCO1	610209708	XHMJHXGRNPJEOM-QFIPXVFZSA-N	414.530	5.232	30	20	HKED	
Cc1ccc(CN(C(=O)N[C@@H](C)c2cccc(C#N)c2)[C@H]2CCc3ccccc32)cc1	610406891	MIYIECGKWWSQOZ-FNZWTVRRSA-N	409.533	5.827	30	20	HKED	
COCCCn1c(SCc2ccc(C#N)cc2C)nnc1-c1ccccc1Cl	614396871	VQTBVHIOZFVKFH-UHFFFAOYSA-N	412.946	5.107	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cc(CCc2ccccc2)[nH]n1	617273277	RNESGNMGPLVNOP-MRXNPFEDSA-N	405.527	5.233	30	20	HKED	
N#CC(CCN1CCCC[C@@H]1c1noc(C2CC2)n1)(c1ccccc1)c1ccccc1	618275960	XEPFUXPSWLEHCV-HSZRJFAPSA-N	412.537	5.374	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1)C2	619816504	YAYQZDQTPLQJGI-SDHOMARFSA-N	422.016	5.845	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1	727589172	LSFBJMZNARXUAX-RPWUZVMVSA-N	415.468	5.087	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1	727589662	YJAZZGNEZYXSIK-ISKFKSNPSA-N	415.468	5.087	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)Nc1c(Cl)ccc(C)c1Cl	728443781	CNFTVSPMINWEKY-UHFFFAOYSA-N	410.326	5.595	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccccc1Cl)c1ccccc1)c1nc2ccccc2o1	730071899	UDMAFVNSBNPIBA-OPAMFIHVSA-N	418.905	6.191	30	20	HKED	
N#C[C@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1cccc(C(F)(F)F)c1	731645713	QWTWPPFTAJMGRF-QWUACUGRSA-N	415.802	5.301	30	20	HKED	
CSc1nc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2s1	731956760	IGRZPJXHHRFSDH-UHFFFAOYSA-N	418.503	5.329	30	20	HKED	
CC(C)(C)c1ccc(-c2csc(NC(=O)Cc3ccc(OCC#N)cc3)n2)cc1	731957351	XKJLZVBBSPYPJK-UHFFFAOYSA-N	405.523	5.191	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc1OC	732542717	PDYDXRRCVLJDLH-RAXLEYEMSA-N	422.525	5.205	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1	733805819	FSUHIKLHAWMQDE-WMLDXEAASA-N	420.340	5.577	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2C)c1	733844369	KPNYDWXRZLXFQZ-SFHVURJKSA-N	411.571	5.888	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1)c1ccncc1	734667244	BRSYQKAXCMDKIB-NBGIEHNGSA-N	415.537	5.647	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cc(O)nc2ccc(F)cc12	737469776	RGHPMRLECHPORS-UHFFFAOYSA-N	423.513	5.470	30	20	HKED	
O=C(/C=C/c1cncc(F)c1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	740786788	XAVDRAZNKZQRHR-DAFODLJHSA-N	424.341	5.546	30	20	HKED	
Cn1cc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)c(-c2ccncc2)n1	741843851	QZRFIDUJOXGQBZ-QPJJXVBHSA-N	403.429	5.033	30	20	HKED	
N#Cc1c(Cl)nsc1N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl	742423157	ZRHVBCBHXGJASJ-KRWDZBQOSA-N	418.305	5.294	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	742954317	KLTQLDHMIHBBHT-YFHOEESVSA-N	413.424	5.030	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Br)s1	744064527	XNXCEFQPJRAWEH-PWSUYJOCSA-N	418.341	5.009	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2cccc(C)c2C)ccc1OC	745819985	QUXYCJSWLLNPSD-IRLDBZIGSA-N	421.541	5.040	30	20	HKED	
COc1sc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)cc1Br	746521093	DBRDOKYBARUYIY-JYRVWZFOSA-N	423.357	5.028	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OC1CCCC1	746660743	ULZNCJBGYARFJH-UHFFFAOYSA-N	421.541	5.578	30	20	HKED	
Cc1ccccc1[C@@H](OC(=O)CCc1c(C)nn(CCC#N)c1C)c1cccs1	748503216	NFLVXBQABIXSPU-HSZRJFAPSA-N	407.539	5.049	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2)n1	749034675	LTBRLZBZQVHXGV-HXUWFJFHSA-N	407.564	5.519	30	20	HKED	
C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1cccc(C)c1	753060285	FJLUVYUKSYUGPG-UHFFFAOYSA-N	424.595	5.506	30	20	HKED	
N#C[C@H](C(=O)CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc2ccccc2n1C(F)F	759440879	NOEJCNASDJEIOF-ZHPNZGNWSA-N	401.432	5.306	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1	759910282	HGSTVIHUBYCIPN-HSZRJFAPSA-N	406.489	5.414	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNCc2ccc(Br)cc2C(F)(F)F)cc1	763534572	HOZSNHSEBWHRHV-GFCCVEGCSA-N	413.237	5.049	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	768175819	XFJYRBVNAGTVQM-MRXNPFEDSA-N	404.228	5.091	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3c(F)cc(Br)cc32)c1	772985947	VJUSYPMRNPAABP-FOIQADDNSA-N	403.295	5.046	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1ccc(F)nc1	777467581	NRQADNIZNIXQBS-SOFGYWHQSA-N	403.276	5.311	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)OC2CCC(Nc3ccc(C#N)cc3C)CC2)s1	779235509	PTSWKQCPYVIPDS-ZLPCBKJTSA-N	413.543	5.001	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	780147660	DEZAHSNXTCOMLO-NSHDSACASA-N	418.305	5.660	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1ccc(Oc2cccc(Br)c2)nc1	782897275	GOVVABYSVWVSOB-UHFFFAOYSA-N	403.276	5.123	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Cl)cc4c3OCC4)n2)cc1	784493179	SKDJVGVERRXBJE-GOSISDBHSA-N	408.910	5.126	30	20	HKED	
Fc1cccc([C@H](NCc2ccc(Cl)nc2C(F)(F)F)C(F)(F)F)c1F	787292491	HFLZEWUZZGJSMI-ZDUSSCGKSA-N	404.688	5.425	30	20	HKED	
C#CCC1(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CCCCC1	787664620	KZTNBYSMRGMEGE-UHFFFAOYSA-N	401.550	5.137	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1	789449185	CWVWMJJRLBWACE-UHFFFAOYSA-N	415.578	5.402	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	789722192	SNRUGKRBMJCOLF-JOCHJYFZSA-N	422.569	6.133	30	20	HKED	
C/C(=C/C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1ccccc1OC(F)F	791117813	UFKWDNMTIHAYLM-NTMALXAHSA-N	405.285	5.035	30	20	HKED	
Cc1cc(C(C)(C)C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1Br	810521758	RAJICQAFIXQWJC-QGZVFWFLSA-N	407.311	5.460	30	20	HKED	
N#C[C@H](C(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc(C(F)(F)F)ccn1	813215564	IMZULYOBUNKCLH-NRFANRHFSA-N	408.423	5.378	30	20	HKED	
CSc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)s1	814748712	LIULEEDUOLPBSM-UHFFFAOYSA-N	401.369	5.206	30	20	HKED	
COCc1nc(Cl)cc(NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)n1	814975253	ZLACGCMOPAAKLU-UHFFFAOYSA-N	411.918	5.321	30	20	HKED	
N#CCCn1ncc(-c2nc(-c3ccsc3C(F)(F)F)no2)c1-c1ccccc1	904921485	KNPYXEBIXLUMPK-UHFFFAOYSA-N	415.400	5.261	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc2ccccc2[nH]1	916845401	WFALMNWRIUYVJB-QGZVFWFLSA-N	401.853	5.139	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	916883833	PEHFZQVHUXJYQJ-LJQANCHMSA-N	405.885	5.051	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccccc3)cc2)cc1	916912410	JRZFWNZOIZJDRO-HSZRJFAPSA-N	414.530	5.502	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917043036	GFWNOEMJTTWSMF-HZMBPMFUSA-N	417.899	5.215	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)c2ccccc21	917239567	GDQGRZHFGOWDGO-UHFFFAOYSA-N	423.472	5.020	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3nc4ccccc4s3)n2)cc1	920140459	CMZIYWPBMPOIEC-ZNFPLGDCSA-N	412.499	5.181	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1	1787619535	MZEKUYKORZULGS-UHFFFAOYSA-N	404.501	5.302	30	20	HKED	
N#CCC(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cccc4s3)cc2)CCC1	1789092456	DWTOMWHQAPOXSR-UHFFFAOYSA-N	423.925	5.216	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1	1791008319	FVSBMJNIIVFOFU-UHFFFAOYSA-N	424.500	5.910	30	20	HKED	
CC(C)/C=C/C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1	1792123706	BMIWRMJFRRUYRR-CWRQFWGNSA-N	415.537	5.274	30	20	HKED	
C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(CCCCC)cc2)C1	1792965343	ARIXYXHOMJHXRC-DTFQXJCCSA-N	420.597	5.037	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2)n[nH]1	1816961642	AQVZZKGKIQSSCX-ARKBFRDHSA-N	420.557	5.108	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1823753855	KMYTTWZGZSOPGX-JOCHJYFZSA-N	402.623	5.345	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1	2452948	VISTWVYVLTWZDA-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1cccc(C)c1	22045004	OXLVDPSRFATOLW-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(C(C)(C)C)cc1	22803351	DDFNALKCFBLXMY-UHFFFAOYSA-O	424.417	5.517	30	20	HKED	
CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1	42742077	HNNIXAYCPKTTSA-ZDUSSCGKSA-N	409.839	5.252	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1	48117467	XTNLBIYZIKMVIK-UHFFFAOYSA-N	419.550	5.174	30	20	HKED	
C[C@H](NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)c1ccc(C#N)cc1	52548378	QTZJAJZRDHWBSF-IBGZPJMESA-N	415.541	5.064	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3	58451413	XNMYPAKQDBCPLD-KRWDZBQOSA-N	417.509	5.058	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C	62906050	YPTIIAJGZZEEJG-UHFFFAOYSA-N	415.440	5.324	30	20	HKED	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)c(C)c1	66034824	HQYBBSYADHGBGN-GOSISDBHSA-N	411.505	5.314	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(-c2ccccc2)nc1C	97542487	PMLKHAFCBUUASG-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1	195635670	KBQHUVRPFXFOSU-UHFFFAOYSA-N	412.493	5.095	30	20	HKED	
C=CCn1c(Sc2ccc([N+](=O)[O-])c3cnccc23)nnc1-c1ccccc1C	301659719	CEKVJSPWAIUJCD-UHFFFAOYSA-N	403.467	5.047	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccc(OC)cc2)n1	302687487	LYIDRKKUVMDXIF-UHFFFAOYSA-N	404.944	5.362	30	20	HKED	
CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	427988417	OLIYGLGQVZCYIG-UHFFFAOYSA-N	413.481	5.004	30	20	HKED	
Cc1c(C(=O)Nc2cccc(COCCOC(C)C)c2)sc2ccc(C#N)cc12	428181196	HHQNZPJCJSOIMA-UHFFFAOYSA-N	408.523	5.275	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1nc2ccccc2s1	430525745	PJMMYOXWPGXOON-LBPRGKRZSA-N	413.289	5.279	30	20	HKED	
CC1CCN(Cc2cccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)CC1	431896982	WDLZHGQLHYLCSE-VWLOTQADSA-N	418.585	5.153	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	433023784	AABUUTBTXAXTRD-QHCPKHFHSA-N	418.541	5.762	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	434159520	LLIROLDSLKJXTC-FUHWJXTLSA-N	419.554	5.697	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)cc2)nc1	437334051	DHBPMRBCGZGKFH-BJKOFHAPSA-N	405.457	5.185	30	20	HKED	
CN(CCc1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437770775	GLPKSIUYLPAQJK-FQEVSTJZSA-N	409.942	5.763	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4csc(C)n4)c3)n2)cc1	442672069	IBCCCNSWMFEITF-LJQANCHMSA-N	415.543	6.041	30	20	HKED	
C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccc(Br)s1	443836990	NBYOREDXGSOUDQ-CYBMUJFWSA-N	415.312	5.312	30	20	HKED	
CCOc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc(OCC)c1OCC	443874267	AWSUFGXSVYAHGT-UHFFFAOYSA-N	422.403	5.025	30	20	HKED	
COCCCn1c(SCc2ccc(C#N)c(C)c2)nnc1-c1ccccc1Cl	447302718	BXFVZRSYQLNIRB-UHFFFAOYSA-N	412.946	5.107	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	460657484	QSNPLQNFXHRKIT-QGZVFWFLSA-N	409.505	5.651	30	20	HKED	
N#Cc1cc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)nc2ccc([N+](=O)[O-])cc12	462848184	NKRAUADDLAXZRW-UHFFFAOYSA-N	415.428	5.019	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(-c2ccccc2)c1	468964897	KXFOGVYXDDZYIL-HXUWFJFHSA-N	409.533	6.110	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12	469411864	LDJKDSKKIGYALE-QGZVFWFLSA-N	402.523	5.449	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3cccc4ccccc34)ccc21	469957730	XLFHPGQNUHICFQ-RPWUZVMVSA-N	423.516	5.165	30	20	HKED	
CC[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[C@@H]1c1ccccc1	470022664	PKCQWRNCGQGFNU-RDPSFJRHSA-N	411.505	5.401	30	20	HKED	
COC(=O)C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc2ccccc2c1	473633676	KSOIBNHEDCZGRF-QFIPXVFZSA-N	415.493	5.067	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2o1	474211743	MTVIJSOQHPFQCU-LJQANCHMSA-N	407.539	5.272	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)n1	474446237	NZHXGENZLVLDGE-FQEVSTJZSA-N	416.502	6.082	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1	475563633	RGDWLOHMKYYKSC-UHFFFAOYSA-N	400.563	5.561	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(-n2nc(C)cc2C)nc1	475584094	ODMXKPVTTISYFW-UHFFFAOYSA-N	403.530	5.058	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	476531104	GQXZJQZXIXZLKL-UHFFFAOYSA-N	417.896	5.359	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)c(F)c2)c2ccc(C(F)(F)F)cc2)cc1	479483847	OUTIQPMTXMLCGB-JOCHJYFZSA-N	414.402	5.604	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1ccccc1F	483623890	KINUJPKESJTXDZ-HOTGVXAUSA-N	401.507	5.199	30	20	HKED	
N#CCCN(C(=O)c1csc(Cc2ccc(F)cc2)n1)C12CC3CC(CC(C3)C1)C2	486558145	JKZAEJMTDYPSPR-UHFFFAOYSA-N	423.557	5.198	30	20	HKED	
CCN(Cc1ccccc1C(C)(C)C#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1	487396945	HHLYJNKXBCDPFI-UHFFFAOYSA-N	419.617	5.201	30	20	HKED	
COc1cc([C@@H](C)NCc2cc(C#N)ccc2Br)ccc1OCC(C)C	492579531	AIEGRYVNIYCWNB-OAHLLOKOSA-N	417.347	5.215	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	497352852	UHPLBCABTJOMIZ-UHFFFAOYSA-N	410.370	5.403	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C(F)(F)F)c1	499563925	VYMIVUOBSNDHPQ-UONOGXRCSA-N	422.472	5.874	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1	501174855	BMSDKRXWPKBBFG-UHFFFAOYSA-N	421.806	5.362	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1ccc(Cl)c(Cl)c1	503065717	AHCUGIODPAZHLL-UHFFFAOYSA-N	401.249	5.070	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1)c1ccccc1	505805120	LPBJGQVVSOIHFT-XDHUDOTRSA-N	407.514	5.060	30	20	HKED	
CSc1cccc([C@@H](NC(=O)N2CCC(C)(C#N)CC2)c2cc(F)ccc2F)c1	508347606	YSCRCYKGKMXUMI-HXUWFJFHSA-N	415.509	5.111	30	20	HKED	
F[C@@H](c1ccc(C(F)(F)F)cc1)c1noc(C[C@@H](c2ccccc2)C(F)(F)F)n1	512056526	IXRYWSFZAVRWLW-HOCLYGCPSA-N	418.312	6.036	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	513677467	XHSSYTNIVQVRTP-HNNXBMFYSA-N	408.483	5.099	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1ccccc1F	514634825	LQBFVZRPSBSNHJ-XJABCFGWSA-N	406.505	5.046	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1	515002957	TYGHBGVFIRGQJC-HCPAQRILSA-N	420.509	5.043	30	20	HKED	
CSc1ccsc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	517461536	LCAWMZJJJWWMCZ-UHFFFAOYSA-N	402.488	5.747	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)c1nc(-c2cccs2)no1	518005556	WLGVSUKLHICMRG-HNNXBMFYSA-N	402.479	5.944	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccccc2)no1	518147195	CJWDVRNFLVLKKW-MRXNPFEDSA-N	423.563	5.608	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	518493521	LLDLFINYZXHCRS-JOCHJYFZSA-N	408.473	5.328	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3ccccc3F)CC2)c1	522897008	MSYMUBOOCPDOLU-UHFFFAOYSA-N	414.480	5.296	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)c2)cc1	523128451	XTZOTFGVRKIRKP-XMMPIXPASA-N	413.477	5.112	30	20	HKED	
N#Cc1cc(NC(=O)CCc2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1	525714184	JYRLSKNXNYGOOH-UHFFFAOYSA-N	411.383	5.336	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cccc1-c1ccccn1	532852080	QGLSCBAXZAWVKF-QGZVFWFLSA-N	402.404	5.292	30	20	HKED	
COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1-c1ccccn1	534355213	ONYSVEASDMGUMW-AWEZNQCLSA-N	403.507	5.067	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1F	538227470	WTJZVZDMGATFQT-NYHFZMIOSA-N	417.525	5.142	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1	539229088	BZHPAYAIXIYPNS-QAPCUYQASA-N	401.963	5.271	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCCN(Cc4ccccc4)c4ccccc43)cc2)CC1	539673033	RJJJJFDQVGSVAM-UHFFFAOYSA-N	407.517	5.299	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	539679381	IWWHIJFBUZOKMA-OAHLLOKOSA-N	403.529	5.557	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H]2C2CCOCC2)c1	540801345	WJQJDKDWSLFPMU-NRFANRHFSA-N	410.901	5.035	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1	541066176	ZWDCYFJZQWDHBJ-SFHVURJKSA-N	424.504	5.235	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1	542004298	GFNNVZYVVQAJJO-RTBURBONSA-N	408.505	5.996	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(-c2cccc(C#N)c2)cc1	543114742	PZWLIJNZEDLQME-NRFANRHFSA-N	419.528	6.050	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	552895664	QHHGLSPYLVQXKW-UHFFFAOYSA-N	415.562	5.340	30	20	HKED	
C=CCn1c(SCc2ccc(C(C)C)nc2C)nnc1[C@@H]1COc2ccccc2O1	554969460	PEQRXQUUVJRLKK-NRFANRHFSA-N	422.554	5.096	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NCc3ccc(Br)cc3C#N)cc2)cs1	558096686	IVFXMOCABLIUIY-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)c1cccc(Cl)c1Cl	565098948	VHOWUSGOLBAOQN-CQSZACIVSA-N	417.214	5.206	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3/C=C\c3ccccc3)cc2)ccn1	569747255	SYMKEDNEYUSZHL-KKCDMYQCSA-N	410.477	5.455	30	20	HKED	
N#Cc1cc(Br)ccc1CN[C@H](c1ccc(F)cc1)c1cccs1	570968321	BYITVXAPUMQZEH-LJQANCHMSA-N	401.304	5.401	30	20	HKED	
N#CCn1c(C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)cc2ccccc21	589098428	SCGVCOJJAOGQAA-UHFFFAOYSA-N	412.320	5.491	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)CC2	589343911	GIELPGXPLMTTSV-ROUUACIJSA-N	409.249	5.591	30	20	HKED	
C=C(C)COc1cccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1	589385151	ZIEDBKODVQATKE-UHFFFAOYSA-N	406.482	5.007	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	590208819	BZMZVUIXESTOSN-MRXNPFEDSA-N	406.536	5.135	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCc2ccc(F)cc21	592494606	MIBJCGTZQYQHKH-UEKVPHQBSA-N	412.349	5.022	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCSc4c(F)cccc43)cn2)c1	603691734	BANMTEBZHMCJMY-IBGZPJMESA-N	420.469	5.243	30	20	HKED	
C=CCc1cc(CN[C@H](c2ccc(OC)cc2)c2ccccc2Cl)cc(OC)c1O	606913967	DLSKBTQMSHJCSC-XMMPIXPASA-N	423.940	5.671	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1	607447067	HDYSVVKJVDUIGH-UHFFFAOYSA-N	418.990	5.348	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl	609387832	JNIYKSLLGFFUQW-VXGBXAGGSA-N	409.342	5.079	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1C(F)(F)F	609398025	BPPANJSYERHHDI-AWEZNQCLSA-N	407.461	5.621	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	609505445	JCEMWGCTIGONAE-YUELXQCFSA-N	405.350	6.130	30	20	HKED	
COCCCn1c(S[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1Cl	609813496	CKSQIZIJGTUHJV-HNNXBMFYSA-N	412.946	5.360	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CCO1	610209698	XHMJHXGRNPJEOM-JOCHJYFZSA-N	414.530	5.232	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(C#N)c1	610321898	OODCXFUCVFOTFR-SFHVURJKSA-N	410.477	5.086	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cc2ccccc2n1CC#N	610728361	OPNAGGXMPHIHTA-KRWDZBQOSA-N	414.534	5.430	30	20	HKED	
CC[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1nc(C(F)(F)F)cs1	611095142	WONXYZQYIKZVKF-SNVBAGLBSA-N	408.232	5.221	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1	630032974	DHSCFBAIPOFEJM-UHFFFAOYSA-N	423.563	5.600	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccco1	645087319	CMUGMFNDYOJCNF-ZDUSSCGKSA-N	411.462	5.075	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1	678603747	GLYMEGPQTATDLU-MGPUTAFESA-N	401.436	5.039	30	20	HKED	
CCSc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1	680451769	LOXVIPBRPKABHR-LBPRGKRZSA-N	407.442	5.312	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)s2)cc1	727655539	XVNMLWGUHGALKJ-KPKJPENVSA-N	404.535	5.160	30	20	HKED	
CC(C)CCO[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	729068873	BEBYQJTUMXNZCU-DOMZBBRYSA-N	411.354	5.744	30	20	HKED	
CCCc1nc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)cs1	730100522	MILVETBWWHULST-UHFFFAOYSA-N	404.539	5.146	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	730839692	NZZNJBMMWBWSDC-UHFFFAOYSA-N	401.897	5.731	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c[nH]c2c1	730994650	KUJJZLRBCOKGQH-UHFFFAOYSA-N	417.456	5.682	30	20	HKED	
CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	731463985	QAFGJWOLTRNECK-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)nc1	733238408	XUTSEOUUEMYUOB-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
O=C(/C=C/c1ccc(-c2cccc(F)c2)s1)c1ccc(N2CCC(O)CC2)cc1	734235311	KYSAPRLEYKRLFR-CSKARUKUSA-N	407.510	5.411	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(CSC3CCOCC3)c2)cc1Cl	734766391	VMZMHLPGCITOGJ-UHFFFAOYSA-N	417.987	5.433	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccccc1-c1ccc(Cl)cc1	740437421	OUGXBKTTWWKQTB-MRXNPFEDSA-N	405.885	5.792	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1OC	742437733	WSNJGAZKPYQBMV-DAXSKMNVSA-N	417.299	5.173	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	743137867	GHKNZANDYOHQSG-UHFFFAOYSA-N	424.570	5.054	30	20	HKED	
C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1Sc1ccccc1	743489880	HERMRFUPZRPGOC-QZTJIDSGSA-N	401.535	5.387	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(CCC)Cc2ccccc2Br)c1=S	746042884	KPERQEMCPAKPHQ-UHFFFAOYSA-N	421.408	5.110	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(C3SCCCS3)cc2)c(Cl)c([N+](=O)[O-])c1	746482538	ULHWXSKEQDYMIN-UHFFFAOYSA-N	419.915	5.241	30	20	HKED	
C[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc2ccccc2o1	748407177	TUBMSEYOVAKOIE-MRXNPFEDSA-N	413.502	5.384	30	20	HKED	
N#Cc1ccccc1NC(=S)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1	753675897	LJTZGXXSDHSXCQ-QGZVFWFLSA-N	423.586	5.031	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2COC(C)(C)CC)c1	758286835	XZFUVOHHWYUFSO-HXUWFJFHSA-N	409.530	5.394	30	20	HKED	
CCS[C@H](C)c1noc(COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	767348704	YNSXQAAXPAXNEH-OAHLLOKOSA-N	423.494	5.099	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1	782729396	HQJJVYXQMWEEPV-UHFFFAOYSA-N	415.921	5.022	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OC(F)F)c1	789620038	BQESWALSTYTWQY-HXUWFJFHSA-N	408.404	5.204	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C2CCC2)cc1	791771112	JNPVTCCUEODNAY-JOCHJYFZSA-N	410.473	5.708	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1	793649000	IYZBKPTWELZLTM-WOJBJXKFSA-N	412.965	5.252	30	20	HKED	
N#CC[C@H](CC(=O)OCC(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1	795992710	RDKWPQQDULEQTE-HSZRJFAPSA-N	424.500	5.081	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	796627569	BYCNCKYSLJBFEQ-IBGZPJMESA-N	401.466	5.380	30	20	HKED	
C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1C	796806170	UHZWPLBDZYZIKQ-ZBFHGGJFSA-N	415.415	5.284	30	20	HKED	
N#CC1(CCCOC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)CCOCC1	800164027	WUILCNDDJBJTNK-NRFANRHFSA-N	413.514	5.303	30	20	HKED	
O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	801674601	ORCJKWMNWITMMN-JTQLQIEISA-N	411.239	5.059	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCCC2)cc1	801777122	TVJACLIAUSXHQA-UHFFFAOYSA-N	408.502	5.195	30	20	HKED	
Cc1ccccc1[C@H](O)C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	804512343	OYQCXSUNIMFCAG-AREMUKBSSA-N	410.517	5.120	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2cccc(C)c2s1	808979319	HQNLVCZKUITGSI-CQSZACIVSA-N	412.898	5.141	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C/C(C)=C\c1ccccc1OC(F)F	811692371	FAWZNYRLUNBPRR-FENWIEIGSA-N	401.409	5.097	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ncc(Cl)s1	814729319	LCDDTYUKWQBOLZ-UHFFFAOYSA-N	421.334	5.079	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)O[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	815340799	OURXLFVWPGUOPX-SNVBAGLBSA-N	402.294	5.217	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccccc2SCc2ccccc2)cc1	915695551	PZZBGADKDHOESG-UHFFFAOYSA-N	404.560	5.722	30	20	HKED	
C=CCN(C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1)C(C)C	916713215	RZBGDOCSTTXRTM-UHFFFAOYSA-N	417.387	5.566	30	20	HKED	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1	916881910	SBAZBUKAGUNEFM-INIZCTEOSA-N	416.502	5.270	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)sc21	916885283	RRYDITLAOVHOFI-INIZCTEOSA-N	407.882	5.008	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2c1C	916927054	DKHQIMGGQUEOCE-HNNXBMFYSA-N	400.265	5.053	30	20	HKED	
CCCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1	916940919	XBZLWZXODOXXLT-KRWDZBQOSA-N	402.853	5.009	30	20	HKED	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1OC	917644159	AJOLBGUAKSJLKU-MOSHPQCFSA-N	424.547	5.152	30	20	HKED	
CC(C)Cc1ccc([C@@H](NC(=O)c2ccccc2OCC#N)c2cccs2)cc1	919987713	PMQLHKHSRLFQPU-HSZRJFAPSA-N	404.535	5.368	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(F)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1	920113440	WQQSMZOITYLTLD-CYBMUJFWSA-N	410.367	5.402	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C(C)C)c(C)c3)n2)cc1	920139156	OCANOGDNBDOJPD-NRFANRHFSA-N	420.534	5.506	30	20	HKED	
Cc1oc(-c2cccs2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920142342	OQKGTBLKOVSFNM-HNNXBMFYSA-N	416.487	5.197	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(C)c2)cs1	920357978	ZPNLCVWZZJDDOX-UHFFFAOYSA-N	418.444	5.601	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C)c(C)c3)C2)CC1	1806635499	YYCJFFLFHONSFZ-UHFFFAOYSA-N	424.629	5.070	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1828823640	VXALDVOYMUYJCR-RPBOFIJWSA-N	422.613	5.007	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nc2ccccc2c1=O	8282440	STDXRQZDZONASQ-IRXDYDNUSA-N	421.566	5.215	30	20	HKED	
C=CCc1cc(C(=O)Nc2cccc(C3SCCS3)c2)cc(OC)c1OC	16235099	OMGKTWOKJUDHDG-UHFFFAOYSA-N	401.553	5.163	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(C)cccc3C2=O)cs1	63411667	OJHXSDVLEGGDSW-BOPFTXTBSA-N	404.491	5.103	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1C1CC1	63846492	AVQDIKHOJFQHKH-UHFFFAOYSA-N	417.332	5.051	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(CN2CCCC2)c1	64027959	TXUMFWIOUZQCRA-UHFFFAOYSA-N	411.505	5.507	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccccc1OC(F)(F)F	78720029	KHAPBHHRKMUJSW-CQSZACIVSA-N	408.445	5.551	30	20	HKED	
N#CCCN(Cc1ccco1)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1	96970558	LSINFARBQYBDSI-UHFFFAOYSA-N	404.901	5.247	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	112528672	VCXJMGFBGKJUBS-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc3ccccc3o2)cs1)c1ccc(F)cc1F	208895148	CGOHJHTTWIMTCU-CLFYSBASSA-N	424.428	5.748	30	20	HKED	
Cc1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1ccccc1C(C)C	303288280	LWDWCGKMVLLOOI-MRXNPFEDSA-N	419.554	5.203	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)cc2)ccn1	427031353	QNAPNFMITXKIOB-UHFFFAOYSA-N	423.259	5.786	30	20	HKED	
Cc1ccc(C)c(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	429466003	HGMAYCTXQJMHMZ-UHFFFAOYSA-N	412.493	5.091	30	20	HKED	
CN(Cc1cccc(N(C)C)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	431549611	XZQMRXAEGBNHIN-UHFFFAOYSA-N	400.482	5.080	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3	434825989	KRRBXVDAEWDJLT-HOTGVXAUSA-N	418.566	5.143	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2cc(Cl)ccc2s1	435966522	LFURZXWOEAPRPQ-UHFFFAOYSA-N	420.881	5.285	30	20	HKED	
N#Cc1ccc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)cc1C(F)(F)F	438649964	WHVSKZKPQUAIEB-UHFFFAOYSA-N	424.426	5.249	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1F	438663500	IFSBZAHIOAOHKA-AWEZNQCLSA-N	423.419	5.520	30	20	HKED	
N#Cc1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(OC(F)F)c1	441073873	YBVQEEUUPFSDFX-ZDUSSCGKSA-N	417.403	5.015	30	20	HKED	
N#CC1CCC(CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)CC1	441149459	QDMWZDTYYUOFCI-UHFFFAOYSA-N	422.525	5.924	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc(C(F)(F)F)cc1	441536844	BPAQVGLXTUNQOL-NSHGMRRFSA-N	410.480	5.171	30	20	HKED	
Cc1nc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)sc1SCC#N	445818353	JYZBTGLAICUISB-UHFFFAOYSA-N	403.529	5.496	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C[C@@H](O)COc1ccccc1)C(C)C	446268820	HHWZSVMLHRHJCK-OAQYLSRUSA-N	410.558	5.221	30	20	HKED	
Fc1ccc(C(F)(F)F)cc1CNC1(c2cccc(C(F)(F)F)c2)CCOCC1	446848920	KPIALAIKIJDHMK-UHFFFAOYSA-N	421.356	5.659	30	20	HKED	
COc1ccc(CNCC(C)(C)c2c(F)cccc2Cl)cc1OCCCC#N	462732669	CKNRARFMCPQWRC-UHFFFAOYSA-N	404.913	5.238	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cc1C	465464354	FVHMMKXUPZNWFT-REWPJTCUSA-N	412.537	5.099	30	20	HKED	
C[C@H](NC(=O)NCc1ccccc1COc1ccccc1Cl)c1ccc(C#N)cc1	465656483	FEPPJFGMPDRZJS-KRWDZBQOSA-N	419.912	5.351	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1	468809736	DFCBRSRDYXAGNR-INIZCTEOSA-N	417.822	5.357	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cn(CCCC#N)c3ccccc23)cc1	469486616	XAEOFXZKEWUJBS-BWKNWUBXSA-N	415.537	5.151	30	20	HKED	
C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1c1cccc(F)c1	472053847	RHPZWIBRVQXPQX-QMHKHESXSA-N	401.441	5.108	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)cc1	472107248	AVOKQOCRWBIHNG-GOSISDBHSA-N	423.588	5.096	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nc2cc(Cl)ccc2s1	473485581	BMJLQHGKULEJHU-OAHLLOKOSA-N	419.897	5.102	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1	475060982	FMWJVAVWYAFMDO-UHFFFAOYSA-N	415.472	5.194	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1	475581113	NJUSEIUAEAKLIK-HXUWFJFHSA-N	408.517	5.804	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CC(=O)c3ccccc32)c1	475935571	VUYGGDKEOHROAE-QFIPXVFZSA-N	400.865	5.115	30	20	HKED	
CCN(Cc1cccc(Br)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	477514029	WVXSEVPHCKSQMT-UHFFFAOYSA-N	400.320	5.304	30	20	HKED	
CC(C)[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(C2CC2)no1	479685895	MPQYKEIEHSKAEE-HXUWFJFHSA-N	418.522	5.097	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC2CC(c3ccccc3)C2)cc1	480154459	QPEKNJWEZSNCQW-UHFFFAOYSA-N	411.505	5.399	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C	482805752	WOLCGAMHAMIMOM-CQSZACIVSA-N	408.889	5.732	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cs2)cc1	483225876	FVICBOLLXDHQCS-FQEVSTJZSA-N	413.502	5.636	30	20	HKED	
Cc1cc(Br)ccc1N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	483345909	GTQZJZWPZMWAJW-UHFFFAOYSA-N	421.294	5.698	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1Br	485216581	ZWLGEWCFNLVKAK-UHFFFAOYSA-N	406.711	5.418	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	485478051	SBHPYDZYEWUQLF-NDEPHWFRSA-N	407.560	5.525	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(-c3ccsc3)s2)sc2c1-c1ccccc1CC2	487086078	GDZGWCQTFSWOOR-UHFFFAOYSA-N	419.556	5.823	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)cc1	489461789	WZLGMEGPNBMWLZ-NRFANRHFSA-N	418.497	5.261	30	20	HKED	
C=CC[C@H](C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)c1ccccc1	489677193	NPJKEOGRKBPJHG-NRFANRHFSA-N	406.526	5.010	30	20	HKED	
C[C@@H](C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(F)c(F)c1	493506911	OJVSBENXPJKFGN-RFAUZJTJSA-N	409.301	5.090	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3ccccc3)cn2)cc1C	499591072	RVOFNUNVUBHVSD-UHFFFAOYSA-N	421.504	5.395	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	500293359	BFBCOSOJLAZYMV-KSSFIOAISA-N	419.472	5.175	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)s2)o1	501152335	YAIUJHLKUKVLOY-UHFFFAOYSA-N	406.492	5.267	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1F	501174319	MVAWPJWGWPKPRK-UHFFFAOYSA-N	422.485	5.058	30	20	HKED	
N#Cc1ccc(C2=CCN(Cc3csc(COc4ccc(F)cc4)n3)CC2)cc1	502532287	XXNPEQAXLYQZSW-UHFFFAOYSA-N	405.498	5.022	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccccc2)cc1Cl	504907560	FXGSZZFMAREYSR-OAQYLSRUSA-N	405.885	5.196	30	20	HKED	
CCCc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)s1	505709835	XDHCZFCGYLPHLA-UHFFFAOYSA-N	407.495	5.329	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1	510717632	MSPOUCVKCUFBQM-QFIPXVFZSA-N	423.944	5.427	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	512539569	FMPXOXMIZVWFFC-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)o3)n2)cc1	514219751	VDFOFCWMPDDNSY-SFHVURJKSA-N	402.450	6.008	30	20	HKED	
CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1)c1ccccc1	517281579	PZINUELAYYVRSV-LJQANCHMSA-N	411.486	5.063	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl	522171837	AWALJWGXLRPNPO-CHWSQXEVSA-N	409.338	5.651	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)c1C#N	523207793	YTKXEYUPIWNYRE-UHFFFAOYSA-N	418.349	5.058	30	20	HKED	
N#C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C1CCCCC1	524534272	KMHVKYXNJCBXGA-GOSISDBHSA-N	402.951	5.410	30	20	HKED	
COc1cccc(NCc2nnc(SCCC(C)(C)C#N)n2C2CCCCC2)c1	524987808	MNXFBJPVNBZDCZ-UHFFFAOYSA-N	413.591	5.436	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	525482836	NCENDOOSNWGPJR-KRWDZBQOSA-N	409.505	5.651	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Cc1cccc(Cl)c1	534400565	YZJGSQYHXGRXJC-MRXNPFEDSA-N	405.885	5.525	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2cc1OC(F)F)c1ccc(C(F)(F)F)cn1	535641821	UMEKVKACGZZEHJ-HNNXBMFYSA-N	406.310	5.345	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc(Cl)c(Cl)c1	535854245	HFMRPVUXCUQCLJ-IBGZPJMESA-N	416.695	5.703	30	20	HKED	
Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(-c2ccccc2)n1	538980602	HGSDCLCGIAMKCI-KRWDZBQOSA-N	418.909	5.354	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccccc3C(C)(C)C#N)s2)cc1	542569028	LZDMXODEDAMBDB-MRXNPFEDSA-N	405.567	5.779	30	20	HKED	
CC[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2cccc(Cl)c2O1	543193440	AVSJGUJVURJXDM-KRWDZBQOSA-N	419.868	5.217	30	20	HKED	
C[C@H](NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1	547451060	YRCCNNDZMOEIMN-IFXJQAMLSA-N	419.472	5.138	30	20	HKED	
N#Cc1cc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cnc1C(F)(F)F	550453251	SEBOVDLMJNZMCG-UHFFFAOYSA-N	418.378	5.440	30	20	HKED	
C[C@](C#N)(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1	550747472	DWWRIMQSKNZGSS-OAQYLSRUSA-N	420.340	5.560	30	20	HKED	
Cc1c(C(=O)NCCc2csc(-c3ccccc3)n2)sc2ccc(C#N)cc12	551546273	OJYXMLOWUHIKOY-UHFFFAOYSA-N	403.532	5.177	30	20	HKED	
O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCCC[C@H]1c1nnc(C2CCC2)o1	557509362	YRMIJFZLMVESCO-QHCPKHFHSA-N	411.505	5.104	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Oc2ccncc2)c1	558338524	CTIFBUKRQKBTCT-UHFFFAOYSA-N	405.502	5.262	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2nccc3sccc23)CC1	571201432	QKWGDZJCEPASAG-UHFFFAOYSA-N	420.582	5.502	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571815806	UNCQKOKBEHBRQQ-HNNXBMFYSA-N	419.868	5.247	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4(c5cccc(C#N)c5)CC4)cc3)o2)cc1	573618615	GTPWMEJNPKFIQR-UHFFFAOYSA-N	420.472	5.003	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC)C1CCC(C(=O)OCC)CC1	574102493	KKKFVZQVZXIBGY-UHFFFAOYSA-N	400.563	5.514	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)s2)cc1	577717619	AWXXPDZITGCGSJ-OAHLLOKOSA-N	417.412	5.031	30	20	HKED	
N#Cc1cc(Br)ccc1CSCc1nnc(-c2ccccc2)s1	577894624	UGYDQSNUHXGSOA-UHFFFAOYSA-N	402.342	5.273	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc2ncsc2c1	603532788	TVFXTSPJHFWXRC-UHFFFAOYSA-N	401.466	5.463	30	20	HKED	
CCCc1ccc([C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)cc1	603796208	VCBPNPDPKZYAPR-QHCPKHFHSA-N	403.551	5.503	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(F)ccc1SCC(F)F	606585969	NTMKZODXHLIPJR-UHFFFAOYSA-N	410.461	5.412	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1	609398321	USXKTKDMJROKJI-CQSZACIVSA-N	424.957	5.663	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(CCc3ccccc3)C3CCCC3)cc2)nc1	609499358	MSGBCCRGGKWGLF-UHFFFAOYSA-N	411.505	5.373	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3nc(-c4ccco4)cs3)c2)c1	609643489	SYIZJRTZOAJPTC-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H]1CCOc2ccccc21	609784132	AREGRKWFKZGIFH-OAQYLSRUSA-N	414.480	5.495	30	20	HKED	
CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	610331088	RBSRHBUWJKXAOZ-XLIONFOSSA-N	417.431	5.209	30	20	HKED	
CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccc(C(C)(C)C#N)cc1	614058675	MVSGKUHIQOICKS-UHFFFAOYSA-N	405.542	5.125	30	20	HKED	
O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCCc2cc(OC(F)F)ccc21	622325720	MBKMRTUHXVJDKH-UHFFFAOYSA-N	407.285	5.178	30	20	HKED	
O=C(CCC(F)F)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	684476208	OQTOQUKSBXSNDR-NSHDSACASA-N	417.218	5.489	30	20	HKED	
N#Cc1c(NC(=O)c2sccc2SC(F)F)sc2c1-c1ccccc1CC2	730481254	FVFYSJUNACCBHK-UHFFFAOYSA-N	418.515	6.014	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)NCc2ccc(OCC#N)cc2)c2ccccc2)c1	730544056	UCDFTMRWARWVIW-VWLOTQADSA-N	414.505	5.149	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	730996759	ZLNAVLAHHAPPLD-RUDMXATFSA-N	421.400	5.271	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1-c1ccc(C#N)cc1	731025807	NWNYLUQKRKBJOD-INIZCTEOSA-N	414.534	5.470	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2Oc2ccccc2)c1	733841938	MVHWGLSDHPHDPT-IBGZPJMESA-N	401.466	5.482	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2cccc(F)c2C)o1	734296102	GPKGVBDFARSNMX-UHFFFAOYSA-N	422.485	5.222	30	20	HKED	
COc1cc(COC(=O)[C@H](C)c2ccccc2F)ccc1OCc1cccc(C#N)c1	735144596	RFDMPNJRNXDPEB-QGZVFWFLSA-N	419.452	5.132	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1ncc(-c2cccc(Cl)c2)o1	735319741	AHRMPRLJQQAAQH-UHFFFAOYSA-N	405.306	5.984	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)c1	735396504	PHUNJOKEHSKEFS-NRFANRHFSA-N	404.416	5.210	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	739153440	BYTFNDZCIRSCLK-QRWLVFNGSA-N	424.422	5.385	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1cccc(C(F)(F)F)n1	739421953	QUAHOZYSOGOBEI-UHFFFAOYSA-N	407.827	5.509	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)ccc2c1	739668431	DMUDXVAGJIKBTC-QPEQYQDCSA-N	422.488	5.175	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2nccc3ccccc23)cc1)Nc1ccccc1	740764166	NAXZPFPCGMUSGG-CCEZHUSRSA-N	408.457	5.148	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(OC)c(C#N)c2)c2ccccc2Cl)c(C)c1	742388780	SENUWBZKMRUARX-XMMPIXPASA-N	406.913	5.417	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)c2)c1	744028410	HZTJWNQKBVIJRK-QFIPXVFZSA-N	414.530	5.557	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1	744038421	UKYQJCUAXYUMOS-IACUBPJLSA-N	422.378	5.573	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1	746125546	JJQPKEICLVXMLZ-GGAORHGYSA-N	423.438	5.174	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1	748649513	FUVWXGJFASNHQI-UHFFFAOYSA-N	419.575	5.054	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	750600861	BOTDWHYOOJIRDS-QGZVFWFLSA-N	402.539	5.066	30	20	HKED	
CC(C)Cc1ccc([C@@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C2CC2)cc1	750880814	XSXLKCJQQCHKSN-ATIYNZHBSA-N	424.548	5.163	30	20	HKED	
Cc1c(C(=O)/C=C/c2cnc(-c3cccs3)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	751515062	YTBFGPWQZBMFFH-AATRIKPKSA-N	415.452	5.201	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(N2CCCC2)c1	755775183	GNPCQLFYQWYAOX-IBVKSMDESA-N	424.548	5.825	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)cc1	761663843	NILMJDSLKIMKBG-MRXNPFEDSA-N	419.456	5.286	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3ccccc3Cl)CC2)c1	768728577	LQVFOPJBEZEUQX-LJQANCHMSA-N	409.917	5.020	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc2cccnc12)c1nc(-c2c(F)cccc2F)cs1	772651877	IWFCDECVCMMZLZ-HNNXBMFYSA-N	405.429	5.055	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)ccc1OC	774446868	DYBDXRUDTWVGPL-DENIHFKCSA-N	420.475	5.882	30	20	HKED	
CCC(CC)[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cccs1	775210560	HHIIAJCLBIOMDR-VGSWGCGISA-N	404.539	5.052	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1	778263248	VMHQVIXDGAMQMJ-PYUISTEWSA-N	423.232	5.144	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCCCC(C)(C)C#N	782929245	ICAMVXXAWYGHOK-UHFFFAOYSA-N	422.909	5.588	30	20	HKED	
N#CCCn1cc(/C=C2\Cc3cc(Br)ccc3C2=O)c(-c2ccccc2)n1	788353643	ICVZPIISOQHKHW-SFQUDFHCSA-N	418.294	5.049	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2-c2ccccc2Cl)cc1	790088865	FYIIXMUGBCJOBM-UHFFFAOYSA-N	411.288	5.744	30	20	HKED	
C[C@]12CCN(C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]1C2(F)F	794549312	VWHZYQHMBKIPAH-FCKJXPIPSA-N	413.308	5.241	30	20	HKED	
C=CC[C@H](N[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1	796308542	QMXBWYVASAIQFW-GUYCJALGSA-N	411.855	5.378	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)n1	796708288	UJXQLPFWQIHAGP-NSHDSACASA-N	403.479	5.007	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCC[C@H]([C@@H]5CCOC5)C4)c23)cc1	799108584	YHPLSZNAJYYETA-DLBZAZTESA-N	422.554	5.362	30	20	HKED	
C=CCN(C(=O)c1cc(Cl)c(Cl)nc1C)c1nc(-c2ccccc2)cs1	807963834	LWNHUZLSOFKYGI-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
Cc1c(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)sc2ccc(C#N)cc12	817863213	XOTPDTGZEJWRSE-SNVBAGLBSA-N	423.847	5.640	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc(NC(=O)C3CCCCC3)c2)c1	864018094	RKDCEYLHJKHRTJ-UHFFFAOYSA-N	412.331	5.452	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(Br)c3)cc2c1C	914773768	VSWUNBWPLBLLLP-ARJAWSKDSA-N	422.325	5.111	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1OCc1ccc(C(=O)OC)o1	916134374	LFFAAZBSMCOADW-JXMROGBWSA-N	424.424	5.079	30	20	HKED	
N#C[C@@H](C(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	916907630	ZISCCDXHJHLEDB-NRFANRHFSA-N	423.472	5.240	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2c(Cl)c3ccccc3n2C)cc1	916948482	GWVXBSTZWUCDJW-KSSFIOAISA-N	407.901	5.306	30	20	HKED	
COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl	920142847	WSXSYQPFVXITRE-QGZVFWFLSA-N	421.909	5.153	30	20	HKED	
CCOc1ccccc1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	920144206	YTALFXQBSAAOSN-LJQANCHMSA-N	406.507	5.026	30	20	HKED	
CCCOc1ccc(C=NOCc2csc(-c3ccc(F)cc3)n2)cc1OC	920759868	JLBOPHVBYSGKNU-UHFFFAOYSA-N	400.475	5.297	30	20	HKED	
C=C(Br)CNC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	921115757	JLLRUIQAWZTFLI-SNVBAGLBSA-N	410.164	5.003	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCC4)CCC3)cc2)c1	1792122905	UVZPQRZEULHOGE-GOSISDBHSA-N	413.521	5.172	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nnc(-c2ccc(C)cc2)o1	32786724	IXMFEKHDKJNCDF-KRWDZBQOSA-N	417.538	5.267	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1	41558012	PXOKRAMULFVDJK-CQSZACIVSA-N	408.433	5.353	30	20	HKED	
CCN(C(=O)Cc1sc(C)nc1-c1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1	45499318	FHCZSSSHMXXGGI-QGZVFWFLSA-N	403.551	5.451	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1Cc1ccccn1	51533643	FIWSNPPWVUAGFQ-NRFANRHFSA-N	412.518	5.162	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1	54734355	FHJYNYZGMBILPA-KRWDZBQOSA-N	415.836	5.224	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N(C)c1ccccc1	60647090	CBYMFIVKEXQNAL-IBGZPJMESA-N	415.562	5.105	30	20	HKED	
CC(C)N(C)Cc1ccccc1CNCc1cccc(OCc2cccc(C#N)c2)c1	60975971	HHRSVMVJOJZRSF-UHFFFAOYSA-N	413.565	5.267	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)c3cccc(C#N)c3)cc12	63324765	WRYUNWWKNBHTCM-UHFFFAOYSA-N	406.898	5.197	30	20	HKED	
C=CCn1c(SCc2nc(C)c(C)o2)nc2scc(-c3cccs3)c2c1=O	72014603	RDMOOSHXMTWTOF-UHFFFAOYSA-N	415.565	5.270	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1cccc(C)c1	96979277	NIHYSAFBIGZDPS-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
CCN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)[C@@H](C)c1ccc(C#N)cc1	105904701	RDNFPUAKPPMCSS-IBGZPJMESA-N	421.504	5.029	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	108373908	FMIXUKOOTGEJDF-KRWDZBQOSA-N	420.896	5.391	30	20	HKED	
C[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2	207147189	NKDNSMKZSQLQNE-UHVIJJLKSA-N	413.433	5.089	30	20	HKED	
C=CCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nnc1-c1ccccc1F	217155067	LIHREQOBELCPBD-UHFFFAOYSA-N	410.518	5.124	30	20	HKED	
C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)C1	253603975	QELMZFJTOQCNHL-QGZVFWFLSA-N	416.550	5.166	30	20	HKED	
CSC[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	426080895	YYWTUBVVXLUFIV-SFHVURJKSA-N	415.946	5.150	30	20	HKED	
CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	429048192	MJMWCISZHQUHOB-XZOQPEGZSA-N	423.582	5.517	30	20	HKED	
O=C(NC1CC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	430360078	REJOJURRGJJDID-UULPXSQISA-N	419.356	5.023	30	20	HKED	
Cc1ccc(-c2cccc(CNCc3cn(CCC#N)nc3-c3ccncc3)c2)cc1	433310978	KGARBBVSKQARNX-UHFFFAOYSA-N	407.521	5.124	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1F	437468427	PGDBDZNNCOVAJY-UHFFFAOYSA-N	412.367	5.272	30	20	HKED	
N#CCC[C@H](NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1	438938646	PFODGMVWLKSYHS-IBGZPJMESA-N	402.416	5.069	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c2o1	443535958	WEASPXWOLKXNPW-CYBMUJFWSA-N	403.301	5.574	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	445695620	WOTDBGRYCDCFLT-ZIAGYGMSSA-N	424.957	5.765	30	20	HKED	
N#Cc1ccc(CCC(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)cc1	446434686	NFNSTKCUAHMIGA-XMMPIXPASA-N	400.909	5.470	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2sc(C(C)(C)OC)nc2C)C(C)(C)C)cc1	464427278	LMSLUIQXEHSMTO-UHFFFAOYSA-N	416.587	5.339	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(-n2cccn2)c1	465218814	KPYDKMQWFRBOSV-SFHVURJKSA-N	424.529	5.386	30	20	HKED	
CN(Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1	466006465	PEMNHYCIVXQNSB-UHFFFAOYSA-N	416.525	5.034	30	20	HKED	
CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C12CCC2	466041831	SAODCWSILBTCAJ-YADHBBJMSA-N	405.498	5.128	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2coc(-c3ccccc3)n2)cc1	466064200	FPUDJBZKNLWDAB-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2	468461348	QSIYZLAUJLKAOZ-SFHVURJKSA-N	423.607	5.375	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(-c2nc(C)co2)ccc1C	470259842	UNOAMISHEAVXNP-UHFFFAOYSA-N	406.442	5.087	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3ccccc3)c3cccc4ccccc34)o2)c1	471649130	OCIFXNKFUWWPMY-AREMUKBSSA-N	416.484	5.641	30	20	HKED	
O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1c(F)c(F)cc(F)c1F	477704816	SWMMBQVYTZBJIV-UHFFFAOYSA-N	420.309	5.638	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	480943739	WFBUIPWLSZRISA-GFCCVEGCSA-N	403.479	5.467	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCCc1ccccc1Br	481824145	YWFBXLWPDNRJPB-UHFFFAOYSA-N	403.345	5.416	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccncc3)c2)cc1	481993612	SOCOUPBHNMKYEW-VWLOTQADSA-N	405.457	5.265	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	483996662	VMJUZIZUKUUMEY-MRXNPFEDSA-N	400.265	5.205	30	20	HKED	
COCCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CC[C@H](C)C1	484183234	XHNXNVJBYINBJJ-CVDCTZTESA-N	421.541	5.001	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1	486239870	NLSUPJRZDRKKNB-UHFFFAOYSA-N	421.566	5.040	30	20	HKED	
Cc1ccnc2sc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c(C)c12	487358167	XGFBRMQRPZNMOL-UHFFFAOYSA-N	404.520	5.084	30	20	HKED	
C=CC[C@@H](C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1	488718272	MLDBFQVLISPKDB-OAQYLSRUSA-N	417.471	5.230	30	20	HKED	
N#Cc1ccc(C2=CCN(Cc3nnc(-c4c(Cl)cccc4Cl)o3)CC2)cc1	502518251	WBUQZEQKRPNPAN-UHFFFAOYSA-N	411.292	5.204	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1	502932038	WLYHOJNWUPUTMQ-UHFFFAOYSA-N	404.445	5.136	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1nc(-c2ccccc2)cs1	504476161	VMKXDIINYCLTCX-INIZCTEOSA-N	402.523	5.117	30	20	HKED	
Cc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)s1	504548655	XSVGVVRTWHEQCT-LBPRGKRZSA-N	408.335	5.680	30	20	HKED	
C=CCOc1ccccc1C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C	505135802	OMSZMJCFUWEPBG-HNNXBMFYSA-N	408.523	5.183	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(F)cc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449404	OGLFYVVGBFWRFP-CQSZACIVSA-N	424.259	5.641	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([C@@H]4CCCOC4)cc3)n2)cc1	505716378	HIUQMHKROYIRLH-TZIWHRDSSA-N	418.518	5.203	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	505819247	FRZZLUYPBRAECQ-IBGZPJMESA-N	403.894	5.358	30	20	HKED	
C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1	505834369	WUTOOUZIZJZITG-MRXNPFEDSA-N	419.550	5.053	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)Oc1ccccc1	506725181	ORFHCGOBYHXAAK-GOSISDBHSA-N	401.466	5.248	30	20	HKED	
C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(OC2CCCC2)CC1	508834187	SMGCEFSGXVRKBW-UHFFFAOYSA-N	402.542	5.212	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2	509223320	GZTSHQBDTDTUSV-ICFOKQHNSA-N	401.897	5.361	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3coc(C4CCCC4)n3)c2)cc1	510515108	PYSNJNVFBDUOGS-UHFFFAOYSA-N	401.466	5.230	30	20	HKED	
C=CCN(C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccccc1	510688210	ZJURHFGWQAZXJS-UHFFFAOYSA-N	410.926	5.795	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	513153155	FJDXNCHESNUOQF-CQSZACIVSA-N	421.831	5.676	30	20	HKED	
C[C@@H](c1ccccc1)n1c(Sc2ncc(C#N)cc2Cl)nnc1-c1ccccc1	513650687	QEODFNFYWMNUJE-HNNXBMFYSA-N	417.925	5.626	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F	515526406	FFECRXYCJCMCAF-NRFANRHFSA-N	408.423	5.828	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1C)c1nc2c(s1)CCCC2	516462214	PHIDOTJQHADPQI-UHFFFAOYSA-N	412.946	5.002	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	517345469	JNMKWDUBEVBUSF-JOCHJYFZSA-N	424.472	5.707	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2	518683093	ILXODYNFXPDEKF-MAUKXSAKSA-N	409.511	5.036	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(F)cc21	520195733	JENXPORLCJQTRO-CZUORRHYSA-N	401.532	5.579	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1ccc(Cl)c(Cl)c1	520271383	ISYHRLMYMSOVPV-OAHLLOKOSA-N	406.269	5.251	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)cc2)ccn1	520822197	FTKUFJXFSOASAU-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@@H](C)c1cccc2ccccc12	520832848	VEJBGRDLTRMJPB-QYZOEREBSA-N	417.578	5.769	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Br)s1	520939222	NULKKVHKKKPFLZ-GFCCVEGCSA-N	424.389	5.569	30	20	HKED	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	521551641	MJWNIJXNRSMEAG-MRXNPFEDSA-N	422.431	5.016	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCOc2c(Cl)cccc21	521748076	KYAAOSXDMNNSCN-BBRMVZONSA-N	401.919	5.237	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOc1cccc(Cl)c1Cl	521810625	WQQGNDDILSESEM-CYBMUJFWSA-N	424.353	5.588	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cc2)cc1	521967781	BLYMRTJSRIEMPT-QHCPKHFHSA-N	414.480	5.531	30	20	HKED	
COCCN(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	524599265	FOBYTDPQJLROJL-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
CC(C)Oc1ccccc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N	524613738	HHCZHQTTZWJGTQ-QGZVFWFLSA-N	414.596	5.597	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1Cl	534162402	LPLDYDRHLAKUIL-HXUWFJFHSA-N	424.909	5.279	30	20	HKED	
C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534873236	IAESAVZWTSBLRV-AWEZNQCLSA-N	406.873	5.424	30	20	HKED	
COc1ccc(N(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(OC)c1	534891451	MTOSGKHYEUQSHS-UHFFFAOYSA-N	422.868	5.298	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(C#N)c(Cl)c1	535877029	ZHSBTUUNCKGFIH-UHFFFAOYSA-N	403.869	5.131	30	20	HKED	
C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	537951620	VRWJUCMTQAGQHV-QMMMGPOBSA-N	419.291	5.327	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	538617718	YKCWYHCPIPQKEV-UHFFFAOYSA-N	411.383	5.432	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)NCc1nnc(-c2cccc(C#N)c2)o1	542521421	MBCXUWWDHOBRNR-HXUWFJFHSA-N	400.507	5.052	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542987374	DXBWDILGIOMCKJ-GOSISDBHSA-N	424.504	5.235	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4cccs4)o3)s2)cc1	543041021	MLENNWLYSANUSY-UHFFFAOYSA-N	424.532	5.276	30	20	HKED	
C[C@H](NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543942282	CMVFCYNWVCYSTK-OALUTQOASA-N	413.521	5.264	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1Cl	544229143	IYKAOSGRXRJNOU-ZDUSSCGKSA-N	410.724	5.405	30	20	HKED	
C=CCNC(=O)c1cccc(-c2noc(C(F)(F)c3ccc(Cl)c(Cl)c3)n2)c1	546368690	HIZGNGQOLWKPOD-UHFFFAOYSA-N	424.234	5.099	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c1	552842179	ZLYZHHNDTWXSOJ-FQEVSTJZSA-N	406.873	5.094	30	20	HKED	
Cc1cc2cc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2[nH]1	553406094	LPBBDUZIZSSENC-UHFFFAOYSA-N	411.530	5.570	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCn2c(cc3ccccc32)C1	554206793	RFQPXOLSJDCHDD-QGZVFWFLSA-N	404.539	5.331	30	20	HKED	
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)cc1	558055709	WVNXPFPQBQMHEW-ZIAGYGMSSA-N	421.488	5.201	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)c(Br)c(Cl)c1	560550012	SOAJFYDBXSIUMT-YOEHRIQHSA-N	421.697	5.154	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1-c1ccccc1	562226711	BPCZVPCVEZJFOW-UHFFFAOYSA-N	423.476	5.307	30	20	HKED	
Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCC(C)(C)CCC#N	564224055	WBTBMIRGUOPPGO-UHFFFAOYSA-N	414.347	5.243	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564549530	AKIGKMBPXPEGCY-UHFFFAOYSA-N	420.450	5.018	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)n1	572668592	FAFSOKIXSDOHPM-HNNXBMFYSA-N	407.461	5.376	30	20	HKED	
Cc1c(C(=O)N2CCC(OCc3ccccc3F)CC2)sc2ccc(C#N)cc12	590320444	ZHUNJQLLNJMZED-UHFFFAOYSA-N	408.498	5.042	30	20	HKED	
N#C[C@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc2cc(F)ccc2s1	592973945	LPAYLVYHMZKEIE-CQSZACIVSA-N	411.458	5.112	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccnc3Oc3ccccc3)cc2)nc1	609499534	DZQSZYFTRRMBJM-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1	609526763	XVAMQBKDERXKLP-XMMPIXPASA-N	400.478	5.276	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1Cl	609639247	TWPSUUBLDXVNIF-PXNSSMCTSA-N	419.916	5.130	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1	609722644	POGGFWCPLPDQBM-UHFFFAOYSA-N	416.786	6.275	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C	610053502	ILUUFHYKHYAPJX-SFHVURJKSA-N	416.525	5.064	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)CSc2ccc(C#N)cc2)cc1	610191516	QCJBYINUBKWINF-SFHVURJKSA-N	416.546	5.546	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1	610341481	VBOQOLNOMFLLGQ-MJGOQNOKSA-N	418.566	5.105	30	20	HKED	
Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2)n1	611165793	QHUIDMRHWFEFFT-CQSZACIVSA-N	413.308	5.159	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	611549579	WFYNOYJJDJVGAG-RHSMWYFYSA-N	404.457	5.512	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)cc2cccnc12	678066667	LOOLJSDZWZHCOT-QWRGUYRKSA-N	408.317	5.013	30	20	HKED	
CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	679353611	GBZAUWQSQZTOMX-PHIMTYICSA-N	416.337	5.208	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	680470151	RCGAPQLEHVRGNM-UHFFFAOYSA-N	418.440	5.783	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1SCc1c(Cl)cccc1Cl	684254223	SLTJEOVNJIWCHF-UHFFFAOYSA-N	411.402	5.092	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3cccc(C(F)(F)F)c3)SC2=S)cc1Cl	726627873	VRUSVAQLZITLCE-CHHVJCJISA-N	424.856	5.636	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1Cl	727629281	QIIHFAPPYBJLQF-PABFRNLHSA-N	423.925	5.209	30	20	HKED	
COc1ccc(/C=C(/Cl)c2nc3cc(Cl)ccc3n2C)cc1OCCCC#N	728440091	IPQSHOFNCAXTGP-LFIBNONCSA-N	416.308	5.655	30	20	HKED	
COc1ccc2c(c1)CCCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)C2	728687785	MMHOXPVPICGBFQ-VWLOTQADSA-N	411.505	5.331	30	20	HKED	
N#CC(CCOC(=O)c1cnc(-c2ccco2)s1)(c1ccccc1)c1ccccc1	729025215	XIOJDHMZBRZWGO-UHFFFAOYSA-N	414.486	5.460	30	20	HKED	
N#CCOc1cccc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)c1	730151594	NRWHDESFNSVTQA-LDADJPATSA-N	419.893	5.703	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1	730988636	AFGIOUOQIRWCTI-XFNCEPBJSA-N	404.457	5.999	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1	730990013	RCAZSLMQEGXMMK-GOSISDBHSA-N	402.519	5.623	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1cccc(C(F)(F)F)c1	731646122	XXWVHZBRFVBTCV-KRWDZBQOSA-N	422.497	5.569	30	20	HKED	
C#CC[C@H](OC(=O)CCCSc1ccc(Br)cc1)c1ccccn1	733691398	NTLQUMNPPVSIBO-SFHVURJKSA-N	404.329	5.024	30	20	HKED	
C=CC[C@H](NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)c1ccncc1	734359793	BHGCSCJFCHFUJM-SFHVURJKSA-N	422.941	5.491	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)c1ccncc1	734457792	OYPKIPVVFHXALS-LJQANCHMSA-N	418.522	5.319	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)C1CCOCC1	734650956	VJCNBXQXUYIOAE-HTAPYJJXSA-N	409.555	5.370	30	20	HKED	
CC(=O)Nc1ccsc1C=NN(C(=S)Nc1cccc(Cl)c1)C(C)(C)C	735406620	JFBSDJBNBSOUMS-UHFFFAOYSA-N	408.980	5.191	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	737529807	LFYRTJKXMDPUAN-MRXNPFEDSA-N	411.427	5.019	30	20	HKED	
COc1cc(C=NNc2cccc(C(F)(F)F)n2)c(-c2ccccc2)cc1OC	739422152	PZKQASCWQZKEFL-UHFFFAOYSA-N	401.388	5.231	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	743475423	QUDUGYRLCDOQFT-HXUWFJFHSA-N	424.504	5.406	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	744016415	MZBUZRQUOHXLRX-FGTMMUONSA-N	411.288	5.478	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)o2)cc1	744028464	LALLSSGIQOHRHU-QGZVFWFLSA-N	420.896	5.859	30	20	HKED	
CCCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	744061000	DVBMGALUQIRBGE-OAQYLSRUSA-N	420.534	5.417	30	20	HKED	
Cc1sc2ncn(N=Cc3cccc(-c4ccccn4)c3)c(=O)c2c1-c1ccccc1	747747907	YDKNFXQXOAINKC-UHFFFAOYSA-N	422.513	5.378	30	20	HKED	
C=CCOc1c(Br)cc(/C=C\C(=O)c2coc(C(C)C)n2)cc1OC	752886180	IDOUWEFKXKPXOO-SREVYHEPSA-N	406.276	5.030	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C/C(=O)c2cc(Br)ncc2F)ccc1OC	762426503	PSHCSZWPDQUNHT-PZBABLGHSA-N	408.267	5.065	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C(C)=C\c1c(Cl)cccc1Cl	766843610	YOXPPIQTROIMEX-BMOGTNHUSA-N	417.292	5.143	30	20	HKED	
Cc1nn(C)c(Cl)c1Cc1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1	771765001	HXICLEPJHORGEU-UHFFFAOYSA-N	421.913	5.046	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	772453939	RJARHGZFDRBBMV-IEBWSBKVSA-N	415.578	5.448	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)ccc1OC	774234878	DNDKGDRHDJAPIA-JSGCOSHPSA-N	409.313	5.239	30	20	HKED	
Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cnn1C	778517401	LHBCLWMAFYINJG-RMKNXTFCSA-N	414.292	5.184	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)C2(c3ccc(Cl)cc3)CCCCC2)n1	779198014	BWMZPFRKNMOUCF-MRXNPFEDSA-N	416.930	5.052	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1	780674982	KWMVRCUINNCQJR-LSDHHAIUSA-N	417.431	5.754	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3nccc(C)c3c2C)cc1	786316536	SUUBOOKURVSMIG-FZKQIMNGSA-N	405.523	5.388	30	20	HKED	
N#Cc1cc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)ccc1Cl	787667343	ZCBXPKJTYUIQPL-UHFFFAOYSA-N	416.908	5.002	30	20	HKED	
N#C[C@H](C(=O)c1nc(Cl)cs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	789404217	DGWURZQOSZLHNF-SECBINFHSA-N	414.726	5.717	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)[C@H](O)c1c(F)cccc1F	789454820	FYEFUIKLEPJFIW-UGKGYDQZSA-N	402.485	5.450	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nccc3ccccc23)cc1C	792104833	RSYCPHUEWQFWAI-OAQYLSRUSA-N	412.518	5.006	30	20	HKED	
N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1cnc2ccccc2n1	792109861	VZTRQMWYSFTTAX-AHSSXEFNSA-N	401.775	5.105	30	20	HKED	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl	793127889	ZRCFFGSSHBUFCY-GOEBONIOSA-N	422.834	5.275	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc(OC)c1	794726942	FQNKKWKYZPNMPT-NSHDSACASA-N	422.268	5.172	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)Cc2csc3ccc(Br)cc23)n1	796749101	UQBSJHKQWVHRFM-CQSZACIVSA-N	419.369	5.663	30	20	HKED	
C[C@H](C#N)OCCSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1	801655364	XLKYUFIEQQUEGN-CYBMUJFWSA-N	419.337	5.262	30	20	HKED	
C#C[C@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc(Cl)cc1F	805779039	OQJIGYWQABYXLJ-IBGZPJMESA-N	402.878	5.220	30	20	HKED	
O=C1/C(=C/c2c(Cl)nc(Cl)n2-c2ccccc2)C[C@H](C(=O)O)c2ccccc21	806561312	TWDKBCDPKYTMSQ-PCUGXKRQSA-N	413.260	5.017	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3cccc(Cl)c3)n2)cc1	808980789	OULXJWQJXTYZLB-SFHVURJKSA-N	423.950	5.694	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1	915199793	MGOKBSCVYSOTJO-DEOSSOPVSA-N	403.485	6.020	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2c1O[C@H](C)C2	916977036	HMBVMLOOPBJNEN-PXAZEXFGSA-N	424.909	5.286	30	20	HKED	
CC(C)(C)c1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920143443	ZVECWFJESQIEPC-LUTRRODMSA-N	411.530	5.869	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1	1785843620	UKQKEVUKORBHSM-KRWDZBQOSA-N	418.528	5.548	30	20	HKED	
N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(C5CC5)cc4)cc3)CCC2)CCC1	1790784639	QGUCQMFFEXRSAZ-UHFFFAOYSA-N	413.521	5.006	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)CC1	1828824992	QXAFOSPRUGADJA-DNQXCXABSA-N	412.618	5.143	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1	1832478986	XNMAHUFPDUFERU-QFIPXVFZSA-N	414.634	5.179	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832556127	QZVGQIWXHONHCH-NTKDMRAZSA-N	408.586	5.010	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(C)cc1	10173257	KESWASVTRFQWCD-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
Cc1cccc(C)c1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(O)c1	11153630	WSOZVXVLGLAREG-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
CC(C)c1ccc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2cccs2)cc1	24083691	UORFRIKBOKECRW-RUZDIDTESA-N	403.595	6.101	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1	63962470	VRGQTLBXZYRKFJ-UHFFFAOYSA-N	403.507	5.142	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2F)o1)c1nc(-c2c(F)cccc2F)cs1	64714678	CFOCBYUJPKPHPG-ZDUSSCGKSA-N	424.403	5.977	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1ccncc1	97175397	LBOVQNNFQPJORW-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C#N)cc3)c3ccccc3C2=O)c1	208270284	HPYIAWPMCGPFSE-WORIPGKHSA-N	408.457	5.014	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3c(F)cccc3OC(F)F)c2)c1	237831714	VVSAAFVJCPSDEZ-UHFFFAOYSA-N	412.411	5.168	30	20	HKED	
C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	303206596	PSOPXNYQYNDPMR-INIZCTEOSA-N	406.869	5.197	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	303361292	ZSEJXYBZFHKKSW-KRWDZBQOSA-N	404.539	5.365	30	20	HKED	
O=C(c1ncccc1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	410101487	NMFFQOVHCYYQBJ-UHFFFAOYSA-N	420.328	5.220	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ncc(F)cc1F	428652137	RERJFCLGUYPGKH-UHFFFAOYSA-N	416.293	5.285	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1cccc(SCC#N)c1	429959982	WRASLUHUILSDOY-UHFFFAOYSA-N	421.335	5.255	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCC(F)(F)F)c1)c1nc(-c2ccccc2)cs1	431164250	UQKWFLPXMKRMGZ-MRXNPFEDSA-N	402.397	5.241	30	20	HKED	
N#CCCC[C@H](NCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccccc1	433019525	KCYRHYMCQGWZMF-URXFXBBRSA-N	421.541	5.118	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](c2cccnc2)C(C)C)cc1	435686260	SHDINOLYIJTQBQ-QHCPKHFHSA-N	401.466	5.132	30	20	HKED	
COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	437601182	FQUROECDGGMUNX-KRWDZBQOSA-N	417.534	5.409	30	20	HKED	
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(C#N)cc1Cl	439429118	DRNOXYXJRRQCPK-UHFFFAOYSA-N	401.297	5.326	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(CCC(F)(F)F)c2)c1	440692122	JFRUOGWSMJODNK-UHFFFAOYSA-N	414.383	5.477	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc([C@H]4CSc5ccccc5O4)no3)cc2)nc1	446016719	UMPZUHOTQRDUDS-GOSISDBHSA-N	414.446	5.021	30	20	HKED	
C=C(C)Cn1c(C(C)C)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1	460396117	XCSURVBJNZTOMZ-UHFFFAOYSA-N	414.941	5.098	30	20	HKED	
C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(Cl)c2ccccc12	462838601	KTYHTTPRNDXPQF-MRXNPFEDSA-N	419.912	5.351	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	463120233	UNSOUHNDHYKSHN-MRXNPFEDSA-N	421.522	5.138	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c([N+](=O)[O-])cc1F	464478169	DTSIJQYDUWGLON-OAHLLOKOSA-N	405.429	5.132	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1C	465463204	RMSDXBXPNDPUTR-VQTJNVASSA-N	400.526	5.003	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1noc(-c2ccccc2)n1	472669450	CWGJEQJBWTUQID-QGZVFWFLSA-N	424.460	5.086	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl	473469354	HMEHLWUVMCAQHU-SNVBAGLBSA-N	419.330	5.185	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1	475543004	BNIQLQJVIHLWMD-UHFFFAOYSA-N	411.590	5.185	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1	475564452	BBKDSVBYBGFDCT-UHFFFAOYSA-N	401.554	6.431	30	20	HKED	
C=C(C)[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)c(F)c1	476843807	JYUCGLPLUSWBFH-NYVOZVTQSA-N	400.469	5.049	30	20	HKED	
C=CCC1(C(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)CCC1	479633676	GMJYUGBGPHKWTI-UHFFFAOYSA-N	409.486	5.033	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1	485799599	RNVFURDUFOHVDP-UHFFFAOYSA-N	410.489	5.199	30	20	HKED	
C[C@@H]1CSCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	486953054	FAVNUYDJJXHMER-HNNXBMFYSA-N	415.946	5.007	30	20	HKED	
C=CCC[C@H](C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccccc1	489707724	YHBYIQSGJLHPBU-YNJKOYDBSA-N	407.554	5.178	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1	495047315	OJVDRCXWEAFWHI-XPIGMRSASA-N	408.517	5.145	30	20	HKED	
N#Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1	499654889	BYMHEPAAELJCHC-UHFFFAOYSA-N	424.331	5.422	30	20	HKED	
Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)sc2ccc(C#N)cc12	501159187	UVKQLULPDRCFHJ-UHFFFAOYSA-N	415.518	5.023	30	20	HKED	
CSc1ccccc1[C@@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	501515074	NEEBKOQVWXUOSL-MRXNPFEDSA-N	410.587	5.103	30	20	HKED	
C=C[C@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1)c1ccccc1	501833387	XLBSXFQVCYEEQJ-XMSQKQJNSA-N	419.500	5.679	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NCCCCC#N)cc12	505056671	VLLFCKJXKSKMNQ-UHFFFAOYSA-N	421.353	5.185	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c(Cl)c1	509190162	MZXQXYQVQWUEOW-UHFFFAOYSA-N	419.584	5.125	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c12	514421310	NGUAWKHDHXXGSL-UHFFFAOYSA-N	402.498	5.146	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)Cc1ccc(OC)cc1	517532082	JWGXTFDBMIVQEP-MSOLQXFVSA-N	411.571	5.432	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)c1cccc(Cl)c1	518164546	FTJKHAMHGBSACN-HNNXBMFYSA-N	401.963	5.691	30	20	HKED	
C[C@@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc(C#N)cc1	518277377	HXLSPIXSGBEQMA-PXAZEXFGSA-N	402.338	5.281	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nccs1	521747762	YNQHHTPDORZXDD-DNVCBOLYSA-N	408.552	5.306	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)sc1C	522949983	BCMFFEFWYMMQEK-UHFFFAOYSA-N	409.486	5.228	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccn(-c2cccc(C(F)(F)F)c2)n1	523153018	NCDYUXBHPRFAPY-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
Cc1csc(CCCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1	524664208	JDDAEDMENCBMBY-UHFFFAOYSA-N	406.511	5.260	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1OCCCC#N	530631008	GXKAWVNDRWVAQC-IBGZPJMESA-N	401.510	5.291	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1csc([C@H]2CCCO2)n1	533709804	KXYXDEFVGXJLCC-OAQYLSRUSA-N	421.497	5.161	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534870979	SMEQXFYDDAAYRH-UHFFFAOYSA-N	403.825	5.137	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)c2)n1	539124143	CGZBHCYLMBOMTL-UHFFFAOYSA-N	423.476	5.214	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(Oc2cccnc2)c1	539757469	YEPRKIWBYYZVEH-QGZVFWFLSA-N	419.506	5.286	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)cc2)CC1	540692473	VZLGVEJCJHJKLA-UHFFFAOYSA-N	401.447	5.471	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	542370561	UMPHPWYSWFJSAN-QGZVFWFLSA-N	416.550	5.425	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1	543278967	KDXMVHBWHNXPQA-HKUYNNGSSA-N	422.598	5.384	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1	543278970	KDXMVHBWHNXPQA-PKOBYXMFSA-N	422.598	5.384	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)c2)nc1-c1ccccc1	547977037	PCWKAOJWXWKQLO-FQEVSTJZSA-N	419.912	5.967	30	20	HKED	
Fc1cccc(OC(F)(F)F)c1CNCc1cccc(COCC(F)(F)F)c1	551238514	JEFWPMIKXNFINH-UHFFFAOYSA-N	411.317	5.093	30	20	HKED	
CN(C(=O)Cc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1)c1ccccc1	569277153	OWSQRPBVMMNIEQ-UHFFFAOYSA-N	423.438	5.395	30	20	HKED	
Cc1sc(C2(NC(=O)c3cccc(CC#N)c3)CCC2)nc1-c1ccccc1F	577912769	KPFKHWAXSNANIA-UHFFFAOYSA-N	405.498	5.133	30	20	HKED	
O[C@@]1(C(F)(F)F)CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	582090013	GWTOVMNPBZAODZ-ZDUSSCGKSA-N	409.292	5.004	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1	583336379	KCXGCKLAWSZOFG-CQSZACIVSA-N	411.383	5.364	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)c2c(Br)cc(Cl)cc2C#N)cs1	587987138	PXWAMWZGJXEVSN-SNVBAGLBSA-N	414.756	5.165	30	20	HKED	
C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589364104	GUWKEBCDCOBZSJ-OAHLLOKOSA-N	402.429	5.036	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2csc(-c3ccccc3Cl)n2)cc1	589447705	JVJMBPLOVKQODO-UHFFFAOYSA-N	412.902	5.023	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2)CC1	591561673	DMUTYYKYXYNQJT-RYUDHWBXSA-N	412.349	5.024	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc2cc(F)ccc2s1	592974590	UXWFGIZOCHVXSV-LBPRGKRZSA-N	413.886	5.702	30	20	HKED	
COc1cccc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)oc12	604003114	CJKXHLNQYDZTQH-UHFFFAOYSA-N	412.445	5.339	30	20	HKED	
COc1ccc2c(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)coc2c1	609064110	ITEGDJQOZWSWEX-UHFFFAOYSA-N	412.445	5.073	30	20	HKED	
C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609079958	OMBFSYBBGRDWGB-HNNXBMFYSA-N	409.873	5.609	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	609318683	YSJISBDUKLJPSI-UHFFFAOYSA-N	402.376	5.161	30	20	HKED	
Cc1ccccc1OCCN(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609497844	OAGBDTNJEGMWGA-UHFFFAOYSA-N	400.478	5.004	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N[C@H](C#N)c3ccc(Br)cc3)sc2c1	609588808	VCNVQUNRWFMTRE-CQSZACIVSA-N	419.731	5.620	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	609912104	PJMWRLWVKVARPQ-INIZCTEOSA-N	408.885	5.087	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(COCc4ccco4)c3)c2)cc1	609991553	VBUAGOIJMINHAH-UHFFFAOYSA-N	423.472	5.864	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc2ccccc2n1	618608803	UVBHMPFDJPYAHK-LJQANCHMSA-N	420.497	5.639	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1	619758787	JMQDKHOTMFFJKG-INIZCTEOSA-N	419.912	5.448	30	20	HKED	
CC(=O)N1CCCCC[C@H]1C1CCN(c2c(C#N)cnc3c(Cl)cc(C)cc23)CC1	619792416	OAKFNCZVECPNPR-QFIPXVFZSA-N	424.976	5.076	30	20	HKED	
O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642389935	DTHJBAXMZAFGOK-IAZYJMLFSA-N	422.291	5.736	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC2(CCOCC2)[C@H]1C)c1ccc(C(F)(F)F)cc1	680388613	UVUPHNAHFKMXRM-VQIMIIECSA-N	410.480	5.313	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1c1ccsc1	685543744	RBJRMAWKLVXYPV-KRWDZBQOSA-N	400.935	5.196	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCOc3ccccc3C2=O)cs1	728441412	JNDLYAJWTXVBQW-QINSGFPZSA-N	424.909	5.530	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	730685585	AJFSNOADKILLBB-IHRRRGAJSA-N	407.684	5.098	30	20	HKED	
C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cn1	732027297	CVSAKNBZTJDCEU-UHFFFAOYSA-N	401.516	5.142	30	20	HKED	
CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	732935173	YOKNSYCPLBPDMF-JOCHJYFZSA-N	404.897	5.792	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Br)cc1Cl)c1c(Cl)cccc1Cl	733258689	ILICRRWVBWRHQT-CYBMUJFWSA-N	418.505	5.404	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)c1	733807018	PVXYWLKJJJSPSM-UPVQGACJSA-N	417.484	5.095	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(C)c2)Cc2ccco2)c1	733851530	BWYSNWPGQWNAQH-QFIPXVFZSA-N	417.509	5.181	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	739157853	XXKMFYDXTDQKNG-ABAIWWIYSA-N	422.859	6.024	30	20	HKED	
COc1ccc(-c2nn(CN(CCC#N)C(C)C)c(=S)n2C2CCCCC2)cc1	739841238	FHWCVADQYNINMV-UHFFFAOYSA-N	413.591	5.176	30	20	HKED	
O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1cccc(-c2ccncc2)c1	741474730	YRZLTFQZPVLLNO-HJWRWDBZSA-N	421.500	5.030	30	20	HKED	
O=C(/C=C/c1csc2ccccc12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741845251	YUVPVYXSENEEPA-JXMROGBWSA-N	410.438	5.133	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C\c1cn(Cc3ccccc3)nc1-c1cccnc1)C2=O	742436963	HNPNSFIBGGBDRZ-HYARGMPZSA-N	416.484	5.078	30	20	HKED	
Cc1ccc([C@@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)o1	742555693	JFAQTNMBJNMVIR-GFCCVEGCSA-N	419.428	5.268	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1	742649857	RTQHMKUXRXEANO-GWQWUEFDSA-N	404.457	5.999	30	20	HKED	
Cc1ccc(F)c(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	743566028	LTTPXICCACJXAW-URLYPYJESA-N	402.379	5.330	30	20	HKED	
COc1ccc(OCc2ccccn2)c(C=NOCc2ccc(C(F)(F)F)cc2)c1	746577742	YPAAXFDYYHITET-UHFFFAOYSA-N	416.399	5.239	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1	747108725	QFNQVEYYJYFFIA-CXAGYDPISA-N	417.336	5.569	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(C#N)cc4)nc(O)c23)s1	747168089	KPJHBQRYHDORDV-OVCLIPMQSA-N	409.923	6.042	30	20	HKED	
C=CC[C@@H](NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1)c1ccncc1	749723385	BEMUUSJFVAELKC-JOCHJYFZSA-N	423.582	5.020	30	20	HKED	
C[C@H](Oc1cccc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)c1)C(=O)O	750916700	OLGWRHGNOKPLJL-ZENNRRHLSA-N	404.434	5.066	30	20	HKED	
CN(c1ccccc1)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	752636227	JLXXAEDXJZARBV-AREMUKBSSA-N	424.548	5.475	30	20	HKED	
CCCCCCCC(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1	755209870	JSFWCEPWSXOSFC-INIZCTEOSA-N	408.589	5.087	30	20	HKED	
COc1ccc(/C=C(/C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1F	755608886	AZJUOAWESGCWOQ-BXBOZWQASA-N	406.482	5.546	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc1Cl	755752241	WRCUALVNDPULRE-IBGZPJMESA-N	411.914	5.041	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](C)c2nc3ccccc3o2)cc1	756958064	OUOYQENLXCGQOR-KRWDZBQOSA-N	411.461	5.334	30	20	HKED	
Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cnc(C2CCC2)s1	760232892	NBRHLAWWLSHZTE-UHFFFAOYSA-N	410.355	5.147	30	20	HKED	
Cc1ccc(Oc2ccccc2NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1	761817745	SKXJDUOCTHEISM-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
Cc1sc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1-c1ccc(F)cc1	764302899	XVSVJLVDRUQDON-UHFFFAOYSA-N	415.833	5.548	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C2CC2)[C@H]2CCc3ccccc32)c1=S	764909862	KLWMONLSQGPEJW-QFIPXVFZSA-N	417.582	5.162	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	766845937	HKJYQVVSIHYLBA-FUWURINLSA-N	420.246	6.018	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)cc1Cl	768849010	PEIDKOZPZQYDBM-VQHVLOKHSA-N	410.926	5.196	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C1\CCc2nc(O)ccc2C1=O	769613779	DIOYZTIVEAYSCC-FOWTUZBSSA-N	407.901	5.021	30	20	HKED	
Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1[C@@H]1CCO[C@@H](C2CC2)C1	771901483	BDGCRURVVLKSNY-WIYYLYMNSA-N	420.538	5.056	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(SCC(F)(F)F)cc2)c1	772986493	XOVWIPSXSQVHAH-YJBOKZPZSA-N	408.489	5.873	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1cc(F)cc(Br)c1	776959329	WZWKMHGBHCZKPI-LRDDRELGSA-N	420.282	5.152	30	20	HKED	
C=CCC[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1	778613817	JNALSQZPMZRNES-LEWJYISDSA-N	402.519	5.745	30	20	HKED	
COc1ccc2cccc(CC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2c1	780315398	QYVXMHGHBXKCGI-SFHVURJKSA-N	405.404	5.012	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CCC2	780523200	WFJAIGSUVITKCJ-NRFANRHFSA-N	418.522	5.623	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3c[nH]nc3-c3ccsc3)cc2F)c1	783659633	ITEUMWZKVCFWFD-UHFFFAOYSA-N	404.470	5.340	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)N[C@H](C)c1ccc2ccccc2c1	795989936	IFNBBIUNSVKEJI-IMWIBFENSA-N	414.505	5.036	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cnn(C2CCCC2)c1	799898636	XFWJIKKPOVQFES-SEYXRHQNSA-N	419.912	5.800	30	20	HKED	
Cc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(Cl)n1	808259849	GPCVLGCEAYVHJF-LJQANCHMSA-N	410.304	5.534	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)o2)cc1	916915973	MGLDOANLDJDRAS-OAQYLSRUSA-N	423.472	5.083	30	20	HKED	
Cc1cc(O[C@H](C)C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1C(C)C	917039592	APCBIKGOBDBDSQ-QAPCUYQASA-N	411.452	5.507	30	20	HKED	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920143723	ZOIUCXGYQXAJNV-FZKQIMNGSA-N	423.950	5.692	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3C3CC3)CCC2)cc1	1786679610	AFPOFTKYPOAIEN-UHFFFAOYSA-N	420.578	5.231	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(C)cc3s1)C2	1798338204	XQGCEDUAXPAOOL-WOZUAGRISA-N	422.594	5.230	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCCC2)CC1	1823750387	IJYUJGRTSNYTKI-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(C)c(F)c2)c1	14872492	KOJBTNRADCYWHK-UHFFFAOYSA-O	421.561	5.706	30	20	HKED	
CCOc1cc(C#N)cc(Br)c1OC(=O)c1cc(Cl)sc1Cl	24072598	LTSSPXSYWDNROR-UHFFFAOYSA-N	421.099	5.307	30	20	HKED	
COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1	41533801	HSDLUARIAZIHEG-QGZVFWFLSA-N	417.515	5.432	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21	60603139	VNVSURYSKNWPDN-NRFANRHFSA-N	416.468	5.072	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	61190255	DOKDEGWKNKJWIS-UHFFFAOYSA-N	409.260	5.236	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(CC)n1	97055259	YRPJPJVAULKEGE-UHFFFAOYSA-N	406.964	5.008	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCOc4c(Cl)cccc43)c2)c1	108978912	HGIQKMBYHVQUPR-HSZRJFAPSA-N	404.897	5.404	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(-n2cccn2)cc1	237456708	LWNQVGCRHZEKBW-HXUWFJFHSA-N	408.505	5.174	30	20	HKED	
COc1cccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	410334265	CNDSAFLWHFSUDB-JOCHJYFZSA-N	419.912	5.368	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCC#N)CCC(C)C	429083475	USLALBVUUPQSEL-UHFFFAOYSA-N	404.514	5.239	30	20	HKED	
CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430616206	FRBVPQNZVMPNCJ-OAHLLOKOSA-N	423.563	5.269	30	20	HKED	
COc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(Br)c1	432838299	COXUPQGJQYSPAJ-KRWDZBQOSA-N	402.292	5.014	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N(C)CC(C)(C)C#N	432958113	GARBBTJTCLETGK-UHFFFAOYSA-N	421.520	5.745	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C	436345628	MRFYOOCHSGTGBE-YJBOKZPZSA-N	403.573	5.014	30	20	HKED	
CCCc1c(NC(=O)c2cc(Cl)cc3cccnc23)cnn1-c1cccc(C#N)c1	440083365	UALLQQWQFFOPOE-UHFFFAOYSA-N	415.884	5.150	30	20	HKED	
COc1ccc2occ(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1	442517682	ZLGWHIFOCVHCRM-CYBMUJFWSA-N	410.401	5.333	30	20	HKED	
C=CC[C@@H]1N(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCC1(C)C	443868265	NEYNXQJGWNKLFN-JTSKRJEESA-N	422.529	5.370	30	20	HKED	
CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1	443883518	WFUZBPYPPNUQPF-UHFFFAOYSA-N	414.387	5.177	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1C(F)(F)F	443885813	QJQNQIMONOPKCO-UHFFFAOYSA-N	405.376	5.021	30	20	HKED	
Cc1cccc2nc(C3CCN(Cc4ccc(C#N)cc4Br)CC3)oc12	444761084	LXKSSWFOZUVQFO-UHFFFAOYSA-N	410.315	5.150	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2sc(C3CCCC3)nc2C)c1C#N	445570104	DAOIMBKEILZTCQ-UHFFFAOYSA-N	423.567	5.141	30	20	HKED	
CC[C@@H](c1ccccc1)N1CC(=O)N(c2cccc(Oc3ccc(C#N)cc3)c2)C1=O	445958945	YZFNKWJQQXKDMY-QHCPKHFHSA-N	411.461	5.270	30	20	HKED	
N#C[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cc1	446053331	LKDLTKXGPVJVLR-LBPRGKRZSA-N	401.702	5.052	30	20	HKED	
C=CCNC(=O)c1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	448549639	DTQNKDYOTHDZIG-UHFFFAOYSA-N	402.338	5.252	30	20	HKED	
C[C@@H](C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cccc(C#N)c1	462029325	SUUVLNUJJNGFQC-AUUYWEPGSA-N	405.498	5.118	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(C2CCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3	467189371	ALACTGDFSAVSTO-KRWDZBQOSA-N	403.507	5.033	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)cs1	468233955	IYKXASMGDBFELR-CQSZACIVSA-N	414.490	5.136	30	20	HKED	
N#C[C@H]1N(C(=O)c2csc(-c3cccc4ccccc34)n2)CCC[C@]12CCCCO2	468660496	MIDOEZDDUVGMJX-ZJSXRUAMSA-N	417.534	5.031	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)cc1	471057614	XRHUKYZBPWITKW-OAQYLSRUSA-N	417.871	5.016	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(C(F)(F)F)c1	471102319	XEVBAHUKAYXIFN-UHFFFAOYSA-N	421.444	5.118	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc([N+](=O)[O-])c1C	480067094	FPLFKBSOPHZJGT-UHFFFAOYSA-N	416.437	5.197	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3cc4c(Cl)cc(Cl)cc4[nH]3)CC2)c1	480146640	VMXVAUIMBPZBCU-UHFFFAOYSA-N	414.292	5.030	30	20	HKED	
Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	482596610	YJNHCHZVPFCCKR-UHFFFAOYSA-N	401.535	5.332	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](CCCC#N)c1ccccc1	487512916	IPRSXGSUEZGVMX-QHCPKHFHSA-N	420.944	5.236	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)c3cc(C)n(C4CC4)c3C)o2)cc1	489793485	CNKIVSXQOYFJBI-UHFFFAOYSA-N	409.511	5.030	30	20	HKED	
CC(=O)N(C)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	494326915	GYHYDYPVJGSIED-JOCHJYFZSA-N	417.896	5.230	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1	494995186	GJVGSUVYBJDUHK-QFIPXVFZSA-N	420.534	5.094	30	20	HKED	
CCn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1-c1ccccc1	495193338	MMUGTKRVPXXRDP-IBGZPJMESA-N	412.518	5.492	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc(Oc4ccccc4)nn3)o2)cc1	498028542	BPKHTSLCMKSOFL-UHFFFAOYSA-N	418.478	5.176	30	20	HKED	
COCc1nc(N(C)Cc2cccc(C#N)c2)c2c(-c3ccccc3)csc2n1	498689354	LNFSRLMHADCERG-UHFFFAOYSA-N	400.507	5.013	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(-n2cccn2)cc1	500741489	HBXRZMTXVSTYQL-UHFFFAOYSA-N	408.461	5.026	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)Cc1nccn1Cc1ccccc1	502198998	VEFJHYNAXJWPLP-UHFFFAOYSA-N	414.322	5.021	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c(C)c1	503362572	ZQPDMJACIVDNCX-LJQANCHMSA-N	422.598	5.502	30	20	HKED	
O=C(Nc1ccc(F)cc1OC(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510104870	YFDFTADSBXJQGC-ZDUSSCGKSA-N	410.289	5.381	30	20	HKED	
N#Cc1cccc(-c2nnc(CN(Cc3ccccc3C(F)(F)F)CC3CC3)o2)c1	511075112	XUPBAJNTQVSPPZ-UHFFFAOYSA-N	412.415	5.039	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F	511912710	WGEZCMLQTCCKNI-ICSRJNTNSA-N	401.432	5.055	30	20	HKED	
C[C@@H](Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(C#N)cc1F	512292389	AYSIMTIDYYXUCC-CQSZACIVSA-N	413.294	5.072	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)Cc1ccc(C#N)cc1	514165005	OKGOKZNFVQPQFS-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccc(Cl)cc4c3C)n2)cc1	516714196	UEFBHMSVSLIUQC-KRWDZBQOSA-N	422.893	6.017	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)[C@H](Oc4ccccc4C#N)C(C)C)CC3)c[nH]c2c1	518065683	WKSBPQOFTISZRI-RUZDIDTESA-N	413.521	5.067	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCCOc1cccc(C#N)c1	518376585	ZIIRCYWGVMDWJU-INIZCTEOSA-N	404.432	5.346	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccco1	518681010	IIIMKFZJVSAFGG-SFHVURJKSA-N	405.523	5.766	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1	518803918	RNSWJASTZOTUSF-JOCHJYFZSA-N	413.546	5.177	30	20	HKED	
Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)c1	519860388	OFUZUZJZWOSIEB-LJQANCHMSA-N	412.493	5.384	30	20	HKED	
N#C[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)c1cccc(C(F)(F)F)c1	520271456	PQWXMYZRJTWVNQ-NRFANRHFSA-N	416.443	5.340	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	521086897	BTHHINGWGINIBC-OAHLLOKOSA-N	414.490	5.188	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1	521733518	HWLVOEWCXSGQMY-KGLIPLIRSA-N	423.460	5.276	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H]1c1cccc(Cl)c1	522071523	TUDMTXOFNRJOEM-HSZRJFAPSA-N	401.897	5.504	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2)nn1	522883028	GBUZRYGCOBUEKS-UHFFFAOYSA-N	421.460	5.445	30	20	HKED	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	523121729	RLELIOQHYKOXTJ-UHFFFAOYSA-N	412.493	5.457	30	20	HKED	
N#Cc1cccc(-c2nnc(COc3ccc4cc(Br)ccc4c3)o2)c1	525111037	FJCBCQGEWVMQQX-UHFFFAOYSA-N	406.239	5.103	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1	532762003	GDOONJODLVUVJB-LJQANCHMSA-N	419.550	5.315	30	20	HKED	
C=C[C@@H](CC(=O)N(c1ccccc1)c1nc(C)c(C(=O)OCC)s1)c1ccccc1	534025857	SVRVYONTLHIOSP-SFHVURJKSA-N	420.534	5.653	30	20	HKED	
N#Cc1ccc(SCC(=O)N(c2ccccc2)c2ncccc2Br)cc1	539174604	CZQKOGXUOGBEBM-UHFFFAOYSA-N	424.323	5.173	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@H](CC(C)C)C1	539716618	IQCALIMHMKXQJY-SIKLNZKXSA-N	407.514	5.374	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C1CC1	540254043	TZPVQHCAWOMZCY-KRWDZBQOSA-N	413.525	5.592	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccnn3Cc3c(Cl)cccc3Cl)cc2)CC1	540737995	TWYRFMBCKHKAOG-UHFFFAOYSA-N	411.292	5.046	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(-c3ccc(Br)s3)s2)nc(C)n1	542022281	OEMDRZMVPGVQJS-NSHDSACASA-N	418.341	5.136	30	20	HKED	
C[C@@H](c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1)c1c(F)cccc1F	545717549	DKBQGKWYPVDGDT-CYBMUJFWSA-N	404.376	5.226	30	20	HKED	
C=CCCO[C@@H](C)c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1	546460378	ALOMWJLMKSHYAS-ZDUSSCGKSA-N	405.376	5.596	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1	554559134	MGWVHIQGYPHZBJ-UHFFFAOYSA-N	412.320	5.706	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1)c1ccccc1	555696737	DKQLYNOABODKCC-CQSZACIVSA-N	410.399	5.397	30	20	HKED	
N#Cc1cc(-c2nc(-c3ccccc3OCC3CCCC3)no2)cnc1C(F)(F)F	556307672	FONAWCHZNSWMTC-UHFFFAOYSA-N	414.387	5.258	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc2ccccc12	557728151	PFIJFAOBGXKFQV-FDDCHVKYSA-N	415.562	6.603	30	20	HKED	
Cc1nc(NC(=O)c2sc3ccccc3c2Br)sc1SCC#N	570731254	KHYKWHFGSGNMDU-UHFFFAOYSA-N	424.370	5.297	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cc(C#N)cn1C(C)(C)C	582862819	KLQPVJUVYZKTHP-UHFFFAOYSA-N	424.501	5.128	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c(Cl)c1	590416848	RZFULWYMTXFVSS-UHFFFAOYSA-N	423.303	5.075	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)cn2)c1	603691977	MNVVBWYDFVGIKI-QFIPXVFZSA-N	413.481	5.290	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3Cl)n2)cc1	603946485	KUUDTJGRCSXHDZ-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc2cc(F)ccc2s1	604005591	LXKMLLCBONCFDS-OAHLLOKOSA-N	423.856	5.766	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)nn1	606145686	JDXLRQBEQPNFTH-LJQANCHMSA-N	411.490	5.142	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc(-c2ccccc2)cs1	606146766	PASYEHPIJATLOI-QGZVFWFLSA-N	403.488	5.549	30	20	HKED	
Cc1sc(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)c(C#N)c1C	609018571	FTMZRIBYWKRGKT-UHFFFAOYSA-N	406.467	5.409	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccccc1F	609174579	ODZBJEIQQSAGBH-UUOWRZLLSA-N	402.469	5.279	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](n3ccnc3)C2)cc1Cl	609554055	RGPWDSGGJCMEKN-PZJWPPBQSA-N	419.916	5.061	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3ccccc3F)CC2)cc1	609928163	ZICMADUOTGZATR-UHFFFAOYSA-N	415.468	5.282	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)c2)c1	610171276	GNSBQVUAZMQZPB-IFMALSPDSA-N	404.416	5.158	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccc(C#N)c1	610358059	XZFKPMPKITUDGB-IVZQSRNASA-N	407.876	5.501	30	20	HKED	
Cc1cccc2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c(Cl)c12	613404496	SNKMWOLCLKKNHA-NSHDSACASA-N	415.852	6.098	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@@H]2c2ccco2)cc1Cl	614138908	CKYQCNTXFXIETN-TZIWHRDSSA-N	421.884	5.194	30	20	HKED	
N#CC1CCN(c2nnc(Cc3ccc4ccccc4c3)n2CCc2ccccc2)CC1	619824148	NOAFLWBNERPZDX-UHFFFAOYSA-N	421.548	5.005	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(C#Cc3ccccn3)c2)s1	640537353	VZQKIDCAVYUAER-UHFFFAOYSA-N	415.543	5.156	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cc1	726913549	JIALULMIUOKAMZ-UIOOFZCWSA-N	410.517	5.981	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nc(-c4ccco4)no3)cc2Cl)c1	728051753	HVJSSIXZYXFUER-UHFFFAOYSA-N	406.829	5.046	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	730417484	NSYVFFZXPCKEMM-SFHVURJKSA-N	408.498	5.473	30	20	HKED	
N#CCOc1cccc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)c1	730437161	PVJZASPQLSFTJT-JYRVWZFOSA-N	418.396	5.233	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1	733843992	XJWKAXZBFJEHNY-LJQANCHMSA-N	420.444	5.016	30	20	HKED	
O=C1/C(=C/c2nccn2Cc2ccccc2)CSc2ccc(Br)cc21	734096264	YASHLDFXWNGHLJ-XNTDXEJSSA-N	411.324	5.066	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1	734452644	JNNPCWLFOMXMQA-UHFFFAOYSA-N	411.486	5.895	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	737844686	RHLHMDQWUAGLDA-OAHLLOKOSA-N	404.228	5.091	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(-c2cccc3ccccc23)o1	741472538	JRXIIMGKMKOSMG-UHFFFAOYSA-N	407.882	5.738	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(C3CCCC3)nc2C)cc1	744032277	CRJYDWCYIKGPEP-AUUYWEPGSA-N	409.555	5.584	30	20	HKED	
CCn1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1Cl	744034250	DQORWAMQBYENKV-ZDUSSCGKSA-N	405.310	5.132	30	20	HKED	
C[C@@H](OC(=O)C1(C#N)CCCCC1)C(=O)N1c2ccccc2Sc2ccccc21	744863283	PPTWPQREEUTJOG-MRXNPFEDSA-N	406.507	5.222	30	20	HKED	
Cc1cc2cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)oc2cc1C	745583262	LOOPREAAVOLLGZ-MRXNPFEDSA-N	422.506	5.239	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(CCCC)Cc2ccccc2F)c1=S	746066267	RSVCHQLDYRYYOV-UHFFFAOYSA-N	411.550	5.061	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1	747107721	AQTGPULRGGBVCM-IBGZPJMESA-N	420.852	5.102	30	20	HKED	
CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN(CC#N)C2CC2)c1=S	747789285	NMCOUDIAJVOPNQ-UHFFFAOYSA-N	408.575	5.088	30	20	HKED	
Cc1ccsc1CCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	748834505	OBMGBGJBDBPKAK-ZDUSSCGKSA-N	408.470	5.884	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)c1ccc(Cl)s1	750548919	QRKKDXOCXOZKNT-STQMWFEESA-N	422.959	5.081	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	754532813	DIERJBIDKZOYGA-GWCFXTLKSA-N	401.438	5.063	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCc1cccc(Br)c1	761000263	AISWDWOEQJFIJD-SFHVURJKSA-N	423.310	5.153	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(CSc3ccccc3)cc2)c(Cl)c([N+](=O)[O-])c1	764301209	KLCHTQOOEMNSHT-UHFFFAOYSA-N	423.881	5.664	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(OCc3cn4ccccc4n3)cc2)c1	770563221	JFKGNSAFHCNLNA-UHFFFAOYSA-N	412.493	5.208	30	20	HKED	
N#CCSc1ccccc1C(=O)NCc1nc(-c2cc3ccccc3o2)cs1	772458968	DZEXQIMGSSTUMU-UHFFFAOYSA-N	405.504	5.102	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(OCc3ccccc3)c2)c1	772984813	QHBLVXBVKOOVEQ-YKSBVNFPSA-N	400.522	5.797	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3cc(F)ccc3C2=O)cs1	773169921	BFQAQZPSBVZMMT-GIJQJNRQSA-N	414.845	5.236	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CCC2	780005172	AQQWDBONLYBDRA-IBGZPJMESA-N	407.470	5.062	30	20	HKED	
N#CCC1CCN(Cn2nc(-c3ccccc3Cl)n(-c3ccccc3)c2=S)CC1	781572760	VUFBRQKRAIIHEJ-UHFFFAOYSA-N	423.973	5.307	30	20	HKED	
FC(F)(F)CCCCNC(=S)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	794974698	RFQQPNINYXEBAN-IUCAKERBSA-N	418.369	5.093	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	797942417	FAMQAKNFWUJPOI-MFKMUULPSA-N	415.292	6.119	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1	813214915	RZRLSNCNJDEEHH-OAQYLSRUSA-N	424.422	5.407	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc2ccccc2c1O	814728902	QDULGUYFQYTHQT-UHFFFAOYSA-N	411.486	5.174	30	20	HKED	
Brc1cccc(-c2ccc(C=Nn3cnnc3-c3ccccc3)s2)c1	914599698	KLZBTTLUBRMOEQ-UHFFFAOYSA-N	409.312	5.318	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1F	915353931	ZUGSFQDTJNLMOO-HRAATJIYSA-N	403.457	5.372	30	20	HKED	
CCCCCCCC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F	916069983	YCXFLURCEMHTDA-QGZVFWFLSA-N	400.441	5.122	30	20	HKED	
N#Cc1ccc(CN(Cc2cnc(-c3ccccc3)nc2)Cc2cccc(F)c2)cc1	920087416	UJSZKUWORMXNDU-UHFFFAOYSA-N	408.480	5.357	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2ccccc2n1	920106070	JUDYDMHFAMAAPV-INIZCTEOSA-N	401.318	5.651	30	20	HKED	
CCc1nc(CC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cs1	920114005	WSDLMVZGVSJQQO-DCJJRUGTSA-N	411.596	5.049	30	20	HKED	
CCOc1ccc(C=NOCc2coc(-c3ccc(Br)cc3)n2)cc1	920486280	WQRPIZDPZJSTOJ-UHFFFAOYSA-N	401.260	5.054	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	920806925	STDNHXYFMOHCLO-AWEZNQCLSA-N	402.853	5.551	30	20	HKED	
CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1	1785933507	MEWKJQMFFRXEJI-UHFFFAOYSA-N	423.563	5.260	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1	1786103250	UJAWQGQXRIPOOR-SFHVURJKSA-N	416.512	5.324	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825785309	IVKVYYRQBJSKGC-NRFANRHFSA-N	414.615	5.058	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1	1831371955	PUNDEWGBXULNSG-OYDLWJJNSA-N	410.602	5.012	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1)=C(/S)Nc1ccc(Cl)cc1	10831714	QKURDDQQVROPGY-UHFFFAOYSA-O	413.925	5.380	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3C)o2)c1	22283969	UCCRCTUZOSQDJU-SFHVURJKSA-N	420.538	5.089	30	20	HKED	
C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc(C#N)c(Cl)c1	25217003	PPGNLXWUSRXTOL-DIFFPNOSSA-N	406.338	5.019	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C	46634476	SXSJTKUOCMUDSO-DEOSSOPVSA-N	408.590	5.157	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CC=C(c2cccc3ccccc23)CC1	63762589	PDFAZABAUQPMMY-UHFFFAOYSA-N	413.546	5.183	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)o1	302700014	XCOSLDUQHSBEHQ-INIZCTEOSA-N	417.450	5.091	30	20	HKED	
C=CCn1c(SCc2noc(C(C)C)n2)nc2sc(-c3ccccc3)cc2c1=O	303024290	RTJRERSNLANYLC-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1cccc(Cl)c1	303361585	HKMVDZSJLQOQMD-INIZCTEOSA-N	401.963	5.052	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1	303729325	DDDDALBFSPKBEQ-MRXNPFEDSA-N	404.432	5.230	30	20	HKED	
Cc1ccc2c(c1)CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2	431903936	QKGWMSVGFMDDPO-QFIPXVFZSA-N	401.897	5.852	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl	432082123	SIQJFPAEYHOUCI-WBMJQRKESA-N	424.353	5.243	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1OCCc2sccc21	432896551	HQIFJIATTLOUBB-IVZQSRNASA-N	404.491	5.301	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	433277394	XIWNNSRUWZRRDF-UHFFFAOYSA-N	409.877	5.089	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1F	434227724	LESNRYRLFXOUDO-CYBMUJFWSA-N	407.367	5.296	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1F	437206462	DDZCOYLKHMBCCC-INIZCTEOSA-N	422.500	5.662	30	20	HKED	
CCOCc1ccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	437741689	DLFNWUVKSPBUSY-UHFFFAOYSA-N	415.493	5.512	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1	438066597	LTSNTRAFFPLJMX-JXXFODFXSA-N	413.518	5.071	30	20	HKED	
C=CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1	441545731	SGSCYIXRINNADS-HKUYNNGSSA-N	424.507	5.114	30	20	HKED	
COc1cc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C#N	442348371	JKRWQIWLXUSYRE-AWNIVKPZSA-N	418.396	5.211	30	20	HKED	
C[C@@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)c1cccc(C#N)c1	442905938	FECYABGZIQNXOO-RTBURBONSA-N	417.582	5.539	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc(C3CC3)nc21	443884055	WMXLPIVBCYFPTL-UHFFFAOYSA-N	413.403	5.032	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)cc1	460149649	IMLYGXZBMCUOBV-NHCUHLMSSA-N	415.320	5.039	30	20	HKED	
C[C@@H]1c2ccccc2CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1	461519630	MYMLGXYUGPPXPN-QGZVFWFLSA-N	411.534	5.050	30	20	HKED	
N#Cc1ccc(Sc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)c(F)c1	462893615	DEIFSLXFTVZBAO-UHFFFAOYSA-N	419.510	5.189	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cc2)cc1	462923049	JYVAYXCWALQHPD-WIOPSUGQSA-N	412.489	5.195	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(-c4cscn4)c3)c2)c1	463270590	DGLNSRUBMYZKTN-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2cccc(C(F)(F)F)c2)cc1	463589950	IQAYHQFHKSENQO-UHFFFAOYSA-N	414.349	5.101	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	463768512	QAJAUKAPSSKBIS-AWEZNQCLSA-N	415.118	5.133	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl)c1cccc(C#N)c1	464050896	MLCMYRXXLXSCRY-MRXNPFEDSA-N	417.896	5.230	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1	465427227	YFINVOAISMFCQU-FQEVSTJZSA-N	406.445	5.334	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	466625840	IRKHMXZUACJWKG-KRWDZBQOSA-N	419.312	5.440	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	468936347	LLZZGIKDKGVUFU-MRXNPFEDSA-N	413.443	5.797	30	20	HKED	
CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	469695267	LCAWPNSIXKRAJZ-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4sccc4c3)s2)cc1	471085948	POELFJBOYUIVST-UHFFFAOYSA-N	408.533	5.169	30	20	HKED	
CSc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Cl)cc1Cl	471274896	ZTGCXGNPTWFLME-NSHDSACASA-N	411.379	6.219	30	20	HKED	
CC(=O)CCCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	473128766	OUGSQYWBWLGPCJ-ZDUSSCGKSA-N	423.275	5.203	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccc4nc(-c5ccccc5)oc4c3)CC2)c1	475653400	VSVNMIXTXSCYIN-UHFFFAOYSA-N	423.472	5.050	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC=C(c4cccc(Cl)c4)CC3)cc2)nc1	477358006	VEMPSAGAFWROCN-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
COCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(C)o1	477512611	TXCDAZXPGUKFSS-FQEVSTJZSA-N	405.454	5.151	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C1CC1	478503898	FKWKPRPMIRHPOU-MRXNPFEDSA-N	400.482	5.648	30	20	HKED	
C=C(C)[C@H](NC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)c1ccc(F)c(F)c1	478927279	XVAVWTVYKWAPMO-FQEVSTJZSA-N	415.484	5.240	30	20	HKED	
C[C@@H](NCc1ccc(Cl)cc1-n1cncn1)c1ccc(-c2cccc(C#N)c2)cc1	482826919	YFEYPFPGMOZZNH-QGZVFWFLSA-N	413.912	5.310	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccccc1Sc1ccccc1C#N	484607787	REVDZTLRMRHBPJ-WMLDXEAASA-N	404.457	5.512	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCc3sc(C)nc32)cc1	486540750	PLXPBGNRORCTRS-GOSISDBHSA-N	419.506	5.183	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cc(F)cc1Br	487196873	RXUINPSZAPVMAI-UHFFFAOYSA-N	408.246	5.041	30	20	HKED	
CCCc1c(NC(=O)c2c(C)cccc2Br)cnn1-c1cccc(C#N)c1	487365130	LLFNMUFCKKNGTQ-UHFFFAOYSA-N	423.314	5.020	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1)c1ccc(F)c(F)c1	489111565	MPRMJNYCNFGSLW-NRFANRHFSA-N	415.484	5.193	30	20	HKED	
CCOc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1C	499410758	DGUPJHQCNCNTTF-UHFFFAOYSA-N	400.478	5.291	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1	500300346	XMRODGMYTZQENJ-UHFFFAOYSA-N	417.509	5.041	30	20	HKED	
CCCCCc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1	502668461	ZJQJWCJODIMVDT-UHFFFAOYSA-N	418.541	5.174	30	20	HKED	
C=CCN(C(=O)c1ccc(-n2nccc2C)cc1)c1nc(-c2ccccc2)cs1	502958465	SQIYEXQYBZLOLP-UHFFFAOYSA-N	400.507	5.137	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl	503222007	DKGQREYRENYVLJ-MLGOLLRUSA-N	420.365	6.197	30	20	HKED	
O=C(NCC1CCC(F)(F)CC1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	504803163	WZLKNQOLZFMEDW-CYBMUJFWSA-N	416.337	5.016	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	505023155	JYMWJZKTVIUOQH-HXUWFJFHSA-N	404.432	5.429	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	505315119	VBSZRUJUZVPSGW-CYFREDJKSA-N	414.505	5.149	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1cccc(Cl)c1Cl	505330660	LPFQQHQAACNWDN-OAHLLOKOSA-N	401.215	5.483	30	20	HKED	
CC(C)(c1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1)C(F)(F)F	507318571	MRRRCXKLYVPAEO-UHFFFAOYSA-N	401.310	5.064	30	20	HKED	
C=CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC(C#N)CC1	508730294	OGOGTDKDPXCDKF-UHFFFAOYSA-N	420.520	5.086	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(C)nc3-c3cccs3)n2)cc1	509899415	LJRDQIRSYSNJKC-HNNXBMFYSA-N	404.520	5.071	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	511885166	OURBVULJQKKEJQ-HIFRSBDPSA-N	400.338	5.017	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCC(OC(F)F)CC1	511993867	YNUKRKDHLAXJNA-UHFFFAOYSA-N	416.443	5.337	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(C(F)(F)F)cs1	512377328	HLHCGZPUDGOLEW-UHFFFAOYSA-N	405.426	5.437	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(CC)no2)nc2scc(-c3ccccc3)c2c1=O	513955593	HILNSWBVTGPWIP-ZDUSSCGKSA-N	424.551	5.110	30	20	HKED	
Cc1cc(C)n(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2F)n1	520179228	VNXSRXDHLCIAGK-UHFFFAOYSA-N	419.504	5.190	30	20	HKED	
C=CCc1cc(CNC(=O)N(Cc2cccc(Cl)c2)C(C)C)cc(OC)c1OC	522407774	PFCOTKOBRZJRQF-UHFFFAOYSA-N	416.949	5.206	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(NC(=O)C(C)C)ccc1C	523501059	GDKJTWDEGUADCF-UHFFFAOYSA-N	420.431	5.425	30	20	HKED	
C=CCn1c(SCc2ccc3oc(C(=O)OC)cc3c2)nnc1-c1ccc(F)cc1	525520298	AKHZBVVEKAJXJW-UHFFFAOYSA-N	423.469	5.095	30	20	HKED	
Cc1cc(C)c(C[C@@H](C(=O)Nc2ncccc2OCCCC#N)C(F)(F)F)c(C)c1	535127535	IOEZPYUIPMWGAZ-SFHVURJKSA-N	419.447	5.049	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	536912439	VKAPDBMDCZDATO-GOSISDBHSA-N	414.509	5.286	30	20	HKED	
Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2Cl)n1	538635060	OCLQNIFHZBISES-SJORKVTESA-N	421.932	5.398	30	20	HKED	
Cc1nccn1CCN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543052922	QRKCILQBYZGGJD-CYBMUJFWSA-N	419.291	5.122	30	20	HKED	
N#CCc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1	543143918	OYGJTLPVRKLVED-UHFFFAOYSA-N	420.925	5.598	30	20	HKED	
N#Cc1cccc(CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c1F	543167083	XWZDFIQKVWOAAZ-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
CCN(Cc1ccccc1Br)C(=O)N[C@H](CCC#N)c1ccccc1	543997063	PCZAEYNBCFNJGC-LJQANCHMSA-N	400.320	5.026	30	20	HKED	
CO[C@@H](c1ccc(F)cc1)c1noc(-c2cccc(COc3ccccc3C#N)c2)n1	545098040	OKGPQCHYPDKFAI-QFIPXVFZSA-N	415.424	5.062	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ncsc3C(F)(F)F)c2C#N)C1	548957660	BYSPWYOOJXHEBC-SECBINFHSA-N	413.490	5.498	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc2c(F)ccc(F)c2c1	549338438	SJUSRHOLSOUKEL-UHFFFAOYSA-N	416.387	5.133	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1	549558698	DCOCDHQIYVWTEP-QHCPKHFHSA-N	413.569	5.193	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3ccc(F)c(C#N)c3)ccc2OC(F)F)cc1	551636973	QMNFVICRXKFWCT-UHFFFAOYSA-N	412.367	5.227	30	20	HKED	
N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H]3c3cccc4ccccc34)C2)c(F)c1	557455477	ZTNCXZWEZXBIPR-GBXCKJPGSA-N	413.496	5.041	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1c(F)cncc1F	558383116	VFIMNDXRHUNRPM-LBPRGKRZSA-N	412.371	5.046	30	20	HKED	
COc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl	560060095	GCJQTMOBVBWQPF-UHFFFAOYSA-N	415.824	5.020	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCC2CCCCC2)CC1	567011911	QIAKCNMGPQLAFG-GOSISDBHSA-N	415.603	5.674	30	20	HKED	
CC(C)Cn1ccc2c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cccc21	572569905	NAKQMBFLNYGVPR-LJQANCHMSA-N	400.507	5.306	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(C(F)(F)F)cc3)cc2)ccn1	582875088	IOGDGFXZUHPARD-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
N#CCCCn1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc21	584271484	GRIMGBQCCOADMQ-MRXNPFEDSA-N	418.909	5.698	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3sc4ccc(C#N)cc4c3C)cc2)nn1	589984345	LGRRTQTZCCOQDU-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CCC)c1ccccn1	591605279	OCYGZMZWNBKZTD-IBGZPJMESA-N	420.326	5.222	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)nc2ccccc21	596533243	BMCHPPIRWARGGN-LJQANCHMSA-N	418.456	5.385	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)n1	600819911	PDXYKTDEEUZONW-GFCCVEGCSA-N	419.535	5.196	30	20	HKED	
CN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCCC1	604164722	VGKUGNFGSFKODF-NRFANRHFSA-N	423.944	5.115	30	20	HKED	
N#C[C@H](C(=O)c1coc(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1	606753488	JTSJHSNXFUCOQW-CYBMUJFWSA-N	407.401	5.233	30	20	HKED	
COc1cccc(CN(CC(C)C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	609499439	QQNIPONXDHSTLQ-UHFFFAOYSA-N	415.493	5.053	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc3ccccc3n2)cc1	609640176	ZFHDVMKMYAMUQU-UHFFFAOYSA-N	424.479	5.158	30	20	HKED	
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2ccccc2Cl)s1	610809999	YSFWKJCHSIYNAJ-MRXNPFEDSA-N	422.985	5.655	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)c1ccc(C#N)cc1F	611073179	IFYULRPSGDHVFR-UHFFFAOYSA-N	416.239	5.468	30	20	HKED	
Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c(C#N)c1C	611203879	MFPZWTILXDXTIB-UHFFFAOYSA-N	401.513	5.432	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H]1F	611503461	FKADSJKBPZPVDT-LIRRHRJNSA-N	401.869	5.002	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)cc1	614890200	XOFFUEQVQVRNOP-INIZCTEOSA-N	412.917	5.172	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H](CC(F)(F)F)c1ccccc1	615819134	WLWLVUICRMTNIR-KRWDZBQOSA-N	414.349	5.050	30	20	HKED	
N#C[C@@H](C(=O)c1cccn1Cc1ccncc1)c1nc(-c2ccc(Cl)cc2)cs1	726321206	CQKAMCUNAFDSQW-SFHVURJKSA-N	418.909	5.198	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	726460431	BLGWBKAKHGSMGO-QHCPKHFHSA-N	401.535	5.938	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1Cl	726477279	PSOFNCIQNLPNHT-UHFFFAOYSA-N	412.946	5.083	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=S)NCCc1ccc(Cl)cc1Cl	726485433	ZBNLGOFOVAMMCL-UHFFFAOYSA-N	406.382	5.193	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cc(F)c(Cl)nc1Cl	728809175	WFZUQEDSRSSSGV-UHFFFAOYSA-N	400.240	5.246	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1Cc1ccccc1	734081319	ITMAAQVOOJSGLH-OAQYLSRUSA-N	412.518	5.162	30	20	HKED	
CCOc1cccc([C@@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	740047190	WLVQNSFGNLXKRH-MRXNPFEDSA-N	405.523	5.246	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C	741638706	SOOOFFRJZTUTGR-UHFFFAOYSA-N	422.504	5.022	30	20	HKED	
CCc1nn(C)c(Cl)c1C=NNc1c(Cl)cc(Br)cc1Cl	741844946	RFNBTCHBDRIGEE-UHFFFAOYSA-N	410.530	5.151	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Cc3cc(Cl)ccc3C2=O)cs1	742437814	ROESZOVFJSGXIJ-LFIBNONCSA-N	408.910	5.612	30	20	HKED	
Cc1csc([C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C2CC2)n1	743625762	OJSGLQQZQLODFH-LJQANCHMSA-N	408.552	5.002	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	744032751	IFZWYXDZBOEGLV-OAHLLOKOSA-N	422.337	5.377	30	20	HKED	
N#C[C@@H](C(=O)CCCOCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	748003590	FMKDFYIEPKMXHQ-IBGZPJMESA-N	410.926	5.637	30	20	HKED	
O=C(Nc1cccc(/C=C\C(=O)c2cc(F)ccc2[N+](=O)[O-])c1)c1ccccc1Cl	752875740	UODXQMKQNLRKFM-FLIBITNWSA-N	424.815	5.536	30	20	HKED	
C#CC[C@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C)c1ccccc1	757029761	CKUHLPFLVCJPHL-UWJYYQICSA-N	419.550	5.252	30	20	HKED	
C=C[C@H](CC(=O)O[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1ccccc1	758915449	ZOIFHTPVIHBZLU-ZWKOTPCHSA-N	412.555	5.100	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1	762534849	YGBIVBOYQBIBDJ-ZIAGYGMSSA-N	413.593	5.667	30	20	HKED	
C=CCC[C@@H](C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccccc1	765099328	BPCNVAQOOLRGJX-LJQANCHMSA-N	417.471	5.265	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CC1(CSc2ccccc2)CC1	770844209	VGVNQOWKAIMWHU-IBGZPJMESA-N	402.519	5.331	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1	774025220	ZXQMDAULJGXHKW-GOSISDBHSA-N	423.822	5.534	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](CC)c1cc(F)cc(Br)c1)c1ccncc1	777243628	RVSLTAJYQFYZHY-MSOLQXFVSA-N	406.299	5.051	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	779595649	KNHXCILJWJSDKE-QGZVFWFLSA-N	417.896	5.694	30	20	HKED	
COc1ccc(OCc2nc(CNc3ccc(OC(C)C)c(C#N)c3)cs2)cc1	779604791	HSGKNAWQKMVLLX-UHFFFAOYSA-N	409.511	5.002	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1C(C)C	781134678	DMTRATPWHFVJPZ-QFIPXVFZSA-N	414.505	5.735	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)cc1	789299773	CLSBUWMFCQLXPO-UHFFFAOYSA-N	412.276	5.139	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc(C(F)(F)F)cnc1Cl	790904224	GMTALLHMZKLXRW-UHFFFAOYSA-N	418.671	5.660	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1	793572546	ASWJRZWGMRAHQI-IAGOWNOFSA-N	407.963	5.023	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2sc3nc(C)nc(C)c3c2C)cc1	798082096	IOAXOAXSDFHMAS-UHFFFAOYSA-N	406.555	5.043	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(C(F)(F)F)cc1	798816416	KSJFXHXYAIDXLV-IINYFYTJSA-N	408.832	5.948	30	20	HKED	
N#CC1(CCCOC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)CCOCC1	800176472	HBDMQYOWUVAQQN-UHFFFAOYSA-N	424.444	5.086	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1	800578897	FBTLHRUTZHFCHB-UHFFFAOYSA-N	415.578	5.306	30	20	HKED	
CC(C)c1nc(C(=O)OC[C@H]2CC[C@@H](C#N)CC2)nn1-c1c(Cl)cccc1Cl	809088312	XVVBTRNESMDHRA-OKILXGFUSA-N	421.328	5.184	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1	828597587	JAWVCVKRBWEVEW-VXKWHMMOSA-N	403.551	5.265	30	20	HKED	
Cc1cc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)ccc1NC(=O)CC(C)C	901379125	WKGBVEFUKNESNL-UHFFFAOYSA-N	409.313	5.318	30	20	HKED	
C[C@H]1Sc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2NC1=O	915087830	AORAOZHBKCESIM-FOIQADDNSA-N	413.502	5.027	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(-c2ccccc2)cs1	915102523	VVDBSSVKUOLPQH-QGZVFWFLSA-N	422.531	5.060	30	20	HKED	
N#C[C@H](C(=O)c1coc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1	915104980	QDCGOLKGPORQOQ-SECBINFHSA-N	415.190	5.161	30	20	HKED	
CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915350586	YVTZOHITNAXGNP-XMMPIXPASA-N	417.484	5.414	30	20	HKED	
CCCCOc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1	916309853	NTHDWYXKHISSGV-UHFFFAOYSA-N	417.534	5.495	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C\c3ccc4ccccc4n3)c2)cc1	916452389	ZKTSMWAIPSVFJX-QINSGFPZSA-N	419.484	5.532	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1	916708204	NLOMRLKWVYSIFA-VWNXMTODSA-N	415.924	6.364	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN[C@@H](c2ccccc2)C(C)(C)C)c1=S	917432993	SGBSUBXNQIBFQR-NRFANRHFSA-N	422.598	5.610	30	20	HKED	
COc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920138777	JFDLZARLXYJCBF-IBGZPJMESA-N	424.547	5.186	30	20	HKED	
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(CCC#N)c3ccccc3)c2n1	16206951	IOJMRUJPOFIIHR-UHFFFAOYSA-N	414.292	5.176	30	20	HKED	
CCOc1ccc(Oc2ccc(N[C@H](C)C(=O)NC3(C#N)CCCCC3)cc2)cc1	21820202	BDWUAXQRAJZOSY-GOSISDBHSA-N	407.514	5.021	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(F)cc1	21996279	IJVFJWCQDBSTHI-ZDUSSCGKSA-N	401.894	5.287	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	32051944	KVHOWDNSKXOVGF-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
COc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	32615159	BRPJONYGTKFVBG-UHFFFAOYSA-N	420.896	5.071	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(-n2nc(C)cc2C)cc1	32785265	KYJRWGREPDGFNH-UHFFFAOYSA-N	415.566	5.150	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	41521874	VULDDVULFRQXLT-MRXNPFEDSA-N	402.397	5.241	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1	60354660	QSGCTMYZMBWMIN-UHFFFAOYSA-N	403.482	5.611	30	20	HKED	
COc1cccc(-c2nc(CSCCOc3cccc(C#N)c3)cs2)c1OC	60515463	CCJHSPJPKPTBAM-UHFFFAOYSA-N	412.536	5.011	30	20	HKED	
C[C@H](C#CC(O)(c1ccccc1)c1ccccc1)c1ccc2cc3ccccc3cc2c1	98178411	ITVMIASCSFHJJJ-HSZRJFAPSA-N	412.532	7.036	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)nc2ccccc21	215642606	HXXVGNDWJBHSRG-QHCPKHFHSA-N	405.501	5.344	30	20	HKED	
C=CCn1c(Sc2nn3cc(C4CCCC4)nc3s2)nnc1-c1cccs1	302569139	YEPWWXCWGIWQKP-UHFFFAOYSA-N	414.585	5.106	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](C)c1cc2ccccc2o1	303030445	TZXFQOVAIQCVKU-KRWDZBQOSA-N	414.461	5.700	30	20	HKED	
N#Cc1cccc(CNCc2ccc(OCc3ccccc3)c(Br)c2)c1	303132175	CBNPIPORFXTUTH-UHFFFAOYSA-N	407.311	5.190	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1	303273004	GMWNVHBZHHIFRS-OAHLLOKOSA-N	424.957	5.546	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(COCc3ccccc3)cc2)cc1	303935188	QKNPYXIMMOHAJF-UHFFFAOYSA-N	402.519	5.147	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]cc3-c3ccccc3F)cc2)c1	426459336	KEWVCFCIEBJFAC-UHFFFAOYSA-N	411.436	5.524	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1	432666758	KKMXATLJLIYMRY-OAQYLSRUSA-N	404.445	5.570	30	20	HKED	
CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	435592160	GKWRTPCSMPWQNV-QFIPXVFZSA-N	415.493	5.156	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCOC[C@H]1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	435664591	MYIKKDLGOLCMBA-XMSQKQJNSA-N	418.562	5.669	30	20	HKED	
O=C1CCc2cc(NCc3cc(C(F)(F)F)ccc3F)ccc2N1CC(F)(F)F	436412896	PUBNRGFISHFLJI-UHFFFAOYSA-N	420.328	5.298	30	20	HKED	
CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	440092531	PFUWSWUVNYGFPI-UHFFFAOYSA-N	422.492	5.394	30	20	HKED	
CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C	443527779	JNOUBYQTTHFZNZ-KRWDZBQOSA-N	409.898	5.220	30	20	HKED	
CC[C@@H](N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1)c1ccc(C#N)cc1	447537665	XPHKRBITPBBKSI-RPWUZVMVSA-N	400.522	5.600	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	461309725	PMDOBLKHAFHAHI-KSFYIVLOSA-N	404.441	5.093	30	20	HKED	
N#CCCCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	462587052	CBTVYVJIMPOBBG-LBPRGKRZSA-N	406.248	5.138	30	20	HKED	
CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1-c1ccccc1	464415386	WHYHTUXCLRPRTB-MRXNPFEDSA-N	412.415	5.209	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	465127982	NSXSCZAFUNFHDT-HNNXBMFYSA-N	422.472	5.755	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(Oc4ccc(C#N)cc4)cc3)o2)cc1C	467417441	JXEWHXFDMDXLPY-GOSISDBHSA-N	410.477	6.191	30	20	HKED	
CC(C)[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1F	468508840	XPQGRFSUMZQWGL-ZDUSSCGKSA-N	418.328	5.188	30	20	HKED	
COCc1ccc([C@H]2CCCN2Cc2cccc(OCc3cccc(C#N)c3)c2)o1	468697864	ZPXFTVVCAOMQQA-XMMPIXPASA-N	402.494	5.214	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1	469415136	ALBMYPKLYCRHCQ-KRWDZBQOSA-N	409.505	5.169	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccccc1-n1cccn1	470591137	OYPBZRMUHYCJGO-IRXDYDNUSA-N	405.527	5.007	30	20	HKED	
C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](c2ccsc2)O1	470695520	CCFIKQXUTIZLAE-OXJNMPFZSA-N	420.559	5.373	30	20	HKED	
CC(C)(C#N)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1	471840704	UDTLHZPVEUMOSO-UHFFFAOYSA-N	400.301	5.214	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c1	472283255	ZGDKOAHECXUMGE-GOSISDBHSA-N	422.497	5.251	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](CO)Cc1c(F)cccc1Cl	475547635	KIHUGLUPJPKCFX-INIZCTEOSA-N	418.940	5.304	30	20	HKED	
C=CCCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)CC1	475768719	ILZBBOOCXQXURM-UHFFFAOYSA-N	403.526	5.270	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(C)c(SCC#N)s1	479717258	KUEHCRAOQSSQMN-UHFFFAOYSA-N	418.931	5.190	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCC)c2cccnc12	481283745	KTMSBZABSBJKEU-UHFFFAOYSA-N	407.518	5.021	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1csc(-c2ccco2)n1	481371492	MYOLSVSYWUFFOC-UHFFFAOYSA-N	424.551	5.360	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	482517818	CCGWZCHNPRBMQM-SFHVURJKSA-N	416.496	5.741	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	483463619	SSISUMHBCDKIKS-GOSISDBHSA-N	405.910	5.755	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1	486220359	UCIPJZWMPGQXSR-UHFFFAOYSA-N	414.486	5.018	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccccc1	487531091	DGHDBPADRDOOLW-IBGZPJMESA-N	412.415	5.056	30	20	HKED	
Cc1sc2nc([C@H](C)Sc3nc(C(F)(F)F)ccc3C#N)nc(O)c2c1C	488788690	YFJAOZZWOMCOPA-VIFPVBQESA-N	410.446	5.153	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	489420398	YMYMODVHDUDRDT-NOZRDPDXSA-N	416.569	5.679	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(C)cc(C)c3)o2)cc1	489810054	QEAYXNRPECVRAT-MRXNPFEDSA-N	409.511	5.038	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	500253923	ZHBOMWDSJAVMTE-RYUDHWBXSA-N	421.312	5.316	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2coc(C3CCCC3)n2)cc1	509538172	HUKFUGAAJYMNHA-UHFFFAOYSA-N	403.457	5.186	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1	510842207	JGNPTPKVCPLNAH-IBGZPJMESA-N	421.545	5.174	30	20	HKED	
Cc1nnc(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)c(C#N)c1C	511885685	FDQUFIFUALLABI-UHFFFAOYSA-N	419.941	5.309	30	20	HKED	
F[C@@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2ccc(OCC(F)(F)F)nc2)n1	512070334	CRGWISGEMVRUTR-ZDUSSCGKSA-N	421.272	5.150	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3COc3ccccc3)cc2)ccn1	514698165	AHTSKGBFEMNXEM-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1	515792982	UMKPYPSWCPDRNR-MRXNPFEDSA-N	409.530	5.716	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCN(C)c1ccccc1	517420036	FYXDEXKCQQJTEP-UHFFFAOYSA-N	414.509	5.259	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1cccs1	518147527	DBRQDNNFPPXULD-INIZCTEOSA-N	408.548	5.831	30	20	HKED	
C=CCn1c(SCCCOc2cccc(C(F)(F)F)c2)nnc1-c1ccncc1	519106156	SJWUCCXDXMKKCI-UHFFFAOYSA-N	420.460	5.106	30	20	HKED	
CN(CCCOc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519989248	JTFSMMXQLJUVOU-UHFFFAOYSA-N	401.466	5.283	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)cc1	521089677	VMFKFTKJTBVGMX-UHFFFAOYSA-N	411.486	5.921	30	20	HKED	
CC(C)Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1	521795612	DQEKLIDIAKEFQC-CQSZACIVSA-N	401.944	5.609	30	20	HKED	
CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)NCCCCC#N	522445617	NDAXEXUNURJAMG-UHFFFAOYSA-N	407.558	5.416	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c1C	523536845	QQLRNYIBUFZJBQ-VQTJNVASSA-N	424.426	5.122	30	20	HKED	
C[C@H](Cc1ccccc1F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	523903165	ZFXJGCMAGUYRDK-GOSISDBHSA-N	419.475	5.179	30	20	HKED	
C=CC[C@@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1	523968288	JPSJNYNSJHPTAK-CYBMUJFWSA-N	423.365	5.419	30	20	HKED	
N#Cc1ccc(-c2nnc(CSc3nnc(-c4ccc5ccccc5c4)o3)o2)cc1	525628813	HVSPBQJFBQZQRR-UHFFFAOYSA-N	411.446	5.104	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCc2ccccc21	533256616	YXUNGFUQCZAYKV-GCJKJVERSA-N	407.583	5.276	30	20	HKED	
CCc1nc(CN(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cs1	534908364	AELMOXCXLYKZEE-UHFFFAOYSA-N	411.914	5.295	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCSCc1ccccc1C#N	535188509	YZMZXBSJHKMIHX-INIZCTEOSA-N	416.616	5.082	30	20	HKED	
Cc1ccc(Br)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1	536407833	KZMLTSKBYCIYRE-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C(F)(F)F)cc1	538229778	BVBUTEAZPBEPMH-LJQANCHMSA-N	412.415	5.424	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1	539172913	OJXSRJWUDQNWTD-SFHVURJKSA-N	407.823	5.181	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(COc2ccccc2C#N)c1	542206570	ZAIDEKNZSSYEDO-UHFFFAOYSA-N	414.509	5.400	30	20	HKED	
Cc1ccccc1C1(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCOCC1	543917335	CWDFNZBXSANIRX-OAQYLSRUSA-N	424.544	5.459	30	20	HKED	
C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	544480776	AVYFMBAKCSIDGO-KSFYIVLOSA-N	401.441	5.108	30	20	HKED	
C[C@@H]1CCCN(Cc2ccccc2CNCc2ccc(C#N)cc2C(F)(F)F)C1	562068516	VCKPFOGTEBYJBO-QGZVFWFLSA-N	401.476	5.099	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2Cc2ccccc2)cc1	579783163	XDIMHSCXGASVGP-NRFANRHFSA-N	411.534	5.268	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)n2)cc1	589196616	OVRJQYCLHVVKPC-IAGOWNOFSA-N	413.424	5.443	30	20	HKED	
N#Cc1ccc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)c(C(F)(F)F)c1	589509539	XSSUOMWRKLFHSY-NRFANRHFSA-N	409.411	5.047	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCC#Cc1ccccc1	592480342	XNTFFKQWONVDDJ-INIZCTEOSA-N	409.942	5.184	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC	595002198	DZAZCVHBVFPKFS-VWLOTQADSA-N	416.521	5.191	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)cc1	601432836	DGTOBHWCLRFPFS-HSZRJFAPSA-N	403.441	5.583	30	20	HKED	
CSCc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)oc2ccccc12	603613664	JYRXQHHGDVOKPI-INIZCTEOSA-N	404.516	5.909	30	20	HKED	
C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cccc2ncccc12	604044249	HBMGGPYMJBTATD-SFHVURJKSA-N	422.488	5.125	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCOCc2ccccc2)cc1Cl	604113127	SUROWNZDAMHOOR-QFIPXVFZSA-N	404.897	5.541	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)c1	609515893	QPCJXZISTGZYBB-UHFFFAOYSA-N	414.509	5.015	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1	609736956	VCVYYCHRAHBNFV-QMHKHESXSA-N	421.591	5.670	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C	610053955	BQVIFGUDNBNNIX-OAHLLOKOSA-N	410.930	5.134	30	20	HKED	
CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610321552	XDSPTCCDOZCLDN-OAQYLSRUSA-N	400.482	5.231	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(Oc2ccccc2)c(F)c1	610348141	POAAPUPYGIVWHY-SJORKVTESA-N	403.457	5.611	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(C#N)cc1Cl	611103412	MHCAVLRTUCSMKY-ZDUSSCGKSA-N	401.944	5.337	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(OCc2ccccc2F)CC1	611262095	WWMNPHBXRZGKGD-UHFFFAOYSA-N	414.480	5.186	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1Cl	611356403	ZUPDLFZCYQUSRW-QZTJIDSGSA-N	424.928	5.283	30	20	HKED	
Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nn1-c1cccc(Cl)c1	611480190	MDYCZHOGDKNAHL-UHFFFAOYSA-N	405.672	5.265	30	20	HKED	
C=CCc1ccccc1OC[C@@H](O)CSc1nnc(-c2ccc3ccccc3c2)o1	613368940	AHKKVELMMZPUSQ-OAQYLSRUSA-N	418.518	5.150	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)CCCC2)c1nc2cc(C(F)(F)F)ccc2s1	613403497	GZEVZKYQTXGVSF-INIZCTEOSA-N	400.425	5.684	30	20	HKED	
C=CCOc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613403994	IROMJULSRDMPNM-AWEZNQCLSA-N	402.397	5.370	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F	615638630	DVDHVLDKKFWQJG-CQSZACIVSA-N	402.420	5.029	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1C(CC)CC	616233265	DCGUEDSMUVXKSO-UHFFFAOYSA-N	403.486	5.118	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCc1ccc(C#N)c(Cl)c1	619756629	BETGEQZYBLHXSX-AWEZNQCLSA-N	410.930	5.204	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1	680099973	VTMDUWWIXJWOMN-UYAOXDASSA-N	410.480	5.171	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1ccc(F)c(F)c1	681328739	JGZDSVOPCUIGEJ-QFIPXVFZSA-N	418.459	5.112	30	20	HKED	
COC(=O)c1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)sc2c1CCCCC2	726440409	JNDSLSGIKAALIJ-UHFFFAOYSA-N	419.959	5.138	30	20	HKED	
N#Cc1ccc(NC(=S)N(CCc2ccccc2)Cc2cccnc2)cc1Cl	726473919	XGPWRNKYBBXLEZ-UHFFFAOYSA-N	406.942	5.048	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	728770775	WZHYORXKSYTLDJ-HNAYVOBHSA-N	401.491	5.060	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](C)c1nc(-c2ccccc2)cs1	730085208	KECXNDFBBMZKIZ-INIZCTEOSA-N	422.506	5.154	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2C)cc1	730421670	NEFWCIAUYVYYPT-IBGZPJMESA-N	419.481	5.342	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1	730688552	YWJMFEQKQGRLEC-IXDOHACOSA-N	413.329	6.097	30	20	HKED	
N#C[C@@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cccc(Cl)c1Cl	731195894	PIHDXZHAHCDNPM-GFOMBABLSA-N	416.695	5.589	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccccc1Br	733266646	LJCWNHZUEDAMSN-AWEZNQCLSA-N	415.234	5.056	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)c1	733775364	SRNXZAWBUPGHRF-CYBMUJFWSA-N	417.943	5.136	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2cccc3ccccc23)c1	733805409	BMBKHVNPDUUNKU-BWKNWUBXSA-N	413.521	5.567	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2c(C)nn(-c3cc(C)ccc3C)c2Cl)cc1	734157850	YTSBMIYLAYPCPF-UHFFFAOYSA-N	423.948	5.371	30	20	HKED	
COCCOc1ccc(C(=O)/C=C\c2cnc(-c3ccc(C)cc3)s2)cc1OC	734304785	WLTMFTGRFDFFFL-KTKRTIGZSA-N	409.507	5.048	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1ccncc1	734665724	QHJROXCYKFFHTE-XMMPIXPASA-N	413.521	5.190	30	20	HKED	
COc1cccc2cc(/C=C3\COC/C(=C\c4cc5cccc(OC)c5o4)C3=O)oc12	741447216	JARWBEBVMHJZQV-JYFOCSDGSA-N	416.429	5.263	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3SCCc4ccccc43)n2)cc1	744062131	QEBPPKRFZKTEDK-WIYYLYMNSA-N	406.532	5.026	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C	744857799	YSNLIELTMVLFPW-KRWDZBQOSA-N	407.514	5.164	30	20	HKED	
CC(C)n1c([C@H]2CCCN2Cc2cc(Cl)ccc2OCC#N)nc2ccccc21	746498159	XJUXKJVVHMRWFX-OAQYLSRUSA-N	408.933	5.510	30	20	HKED	
COc1cc(C=NNc2cccc3ccccc23)ccc1OCc1c(C)noc1C	747060587	YVRIWKJUPLPCAN-UHFFFAOYSA-N	401.466	5.478	30	20	HKED	
COc1ccc2cc(-c3cc(C(=O)N(CC#N)C4CC4)c4ccccc4n3)ccc2c1	747650104	VEAJSCLGIDXYLV-UHFFFAOYSA-N	407.473	5.192	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C2SCCCS2)cc1	752038617	JKPIAWSCDDGCOK-LEWJYISDSA-N	408.592	5.467	30	20	HKED	
Cc1sc([C@H](C)NC(=S)Nc2ccccc2C#N)nc1-c1ccc(Cl)cc1	755735582	LIOYXJLZBXLKHD-LBPRGKRZSA-N	412.971	5.691	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)C(=O)[C@H](C#N)c1nc(C(C)C)cs1	757902807	JYLVLWJRYNOALR-ZFWWWQNUSA-N	405.361	5.474	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3cc(C)ccc3C2=O)cs1	763115572	AEKVJJKGKCXGGV-VBKFSLOCSA-N	422.481	5.324	30	20	HKED	
N#Cc1cc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)ccc1F	770570973	MDDQGUDSFRKVHN-CXUHLZMHSA-N	407.857	5.812	30	20	HKED	
CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	772416408	HOJKCZNJPHVQJT-DQEYMECFSA-N	413.521	5.147	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)cc(Cl)n2)cc1	777851581	SMIXJHCCUTVZTM-UHFFFAOYSA-N	412.276	5.286	30	20	HKED	
C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN2CCC(C)(C#N)CC2)c1=S	779878462	AKXXMSGIUCHGKM-LJQANCHMSA-N	417.582	5.274	30	20	HKED	
Fc1cccc(-c2nnc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)c1	780393051	VFFPUXCLQKMULF-HNNXBMFYSA-N	419.300	5.288	30	20	HKED	
N#Cc1cccc(COc2ccc(NC3CCN(c4ccccn4)CC3)cc2Cl)c1	781529142	HBUCACDMFDQBBE-UHFFFAOYSA-N	418.928	5.267	30	20	HKED	
Cc1[nH]c2ccc(F)cc2c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O	782223025	MWEGKDYKYNGTKU-UHFFFAOYSA-N	416.481	5.244	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCc2nnc(-c3ccco3)o2)c1	783703130	GCQAOXKXERZSKH-UHFFFAOYSA-N	421.796	5.004	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2C)n1	788596781	RNRXWNNHHVOOCM-UHFFFAOYSA-N	406.917	5.199	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2)c1	790090052	NVKUUTUYAIFXCR-UHFFFAOYSA-N	411.288	5.744	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)cnc1Cl	793037773	KTXVHPSSFYKJJS-UHFFFAOYSA-N	404.857	5.232	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1	796038702	GJZXYMRQTZCOBW-UHFFFAOYSA-N	414.461	5.076	30	20	HKED	
N#CC1(CCCOC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CCOCC1	800217577	GIARRPMHHUWRFZ-NRFANRHFSA-N	413.514	5.303	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3cccs3)n2)n1	800396412	GGMFZSKGANLBJA-LBPRGKRZSA-N	401.582	5.606	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1	810261160	BJZLLUMIGIQXSO-RPWUZVMVSA-N	419.569	5.571	30	20	HKED	
O=C(/C=C/c1cn2ccc(Br)cc2n1)c1cccc(-c2ccncc2)c1	811692099	UTBUUSBSEROYSR-SNAWJCMRSA-N	404.267	5.055	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	812309699	JBXHXCMDIMCUNN-ZDUSSCGKSA-N	409.338	5.465	30	20	HKED	
CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2cccc(Nc3ccc(C#N)cc3)c2)n1	904763200	BAJIZCGYSQHUHJ-UHFFFAOYSA-N	419.485	5.112	30	20	HKED	
CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1	913459196	SRWCIWOWISHLGY-QHCPKHFHSA-N	423.520	5.059	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F	915353311	MSVFTIDSKCYICM-KKSFZXQISA-N	421.447	5.826	30	20	HKED	
COCCOc1ccc(C(C)=NNc2cc(C)c3cc(Cl)ccc3n2)cc1OC	915955657	IGCSZMKOEKEDMO-UHFFFAOYSA-N	413.905	5.067	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)cc1	917119474	HIUBZNFZLWBDOO-NRFANRHFSA-N	404.416	5.222	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@@H](c2ccccc2)O1	920234899	MFMZMHKTRKLPET-WVQWTBLQSA-N	411.505	5.336	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	920807034	WFLICVOSHUAAHP-OAHLLOKOSA-N	416.424	5.263	30	20	HKED	
CCc1cnc(O)c(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)c1	1630155134	ZVOOXOZFQIPERP-UHFFFAOYSA-N	409.898	5.278	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c(C(C)(C)C)c4)cc3)CCC2)C1	1787039388	XHPSDCYBCRGLTB-UHFFFAOYSA-N	405.542	5.026	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@H](C)c4ccccc4)cc3)CCC2)C1	1791336503	PAYUTXGNAPPACO-IBGZPJMESA-N	402.538	5.281	30	20	HKED	
C=CCn1c(SCc2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1	8205173	GCGVSGZZUZWHCL-UHFFFAOYSA-N	401.919	5.094	30	20	HKED	
C=CCn1c(SCc2csc(-c3cccs3)n2)nc2sccc2c1=O	18779819	WRAJMBNIOULMPZ-UHFFFAOYSA-N	403.579	5.121	30	20	HKED	
C=CCn1c(SCc2nnsc2Cl)nnc1-c1ccc(C(C)(C)C)cc1	23281193	WTXBZGNENFGZPQ-UHFFFAOYSA-N	405.980	5.226	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1	29674989	KGJHRXGSRGMGMH-HNNXBMFYSA-N	420.563	5.236	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)C(C)C)cc3)n2)cc1	41511305	WUWLXXUUQAZOFW-IBGZPJMESA-N	403.507	5.203	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C	44401955	KDVUAKKPUJRBCW-RUZDIDTESA-N	408.590	5.058	30	20	HKED	
CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161491	PNJUBFABYGTAPU-UHFFFAOYSA-N	419.912	5.649	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)on2)cc1	49723827	PGKNJBWNQWDCEH-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1cccc(Cl)c1	60423878	PYLWZZSEQFNKPF-AWEZNQCLSA-N	403.910	5.689	30	20	HKED	
CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(C2CCCCC2)cc1	61972173	IJYYONLNRQUHAL-QHCPKHFHSA-N	403.526	5.058	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccn(Cc2ccccc2)n1	71936170	LOTCVUJQHKZNOQ-UHFFFAOYSA-N	410.502	5.207	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(C)[nH]c2ccccc12	109904492	PRTDZWHEVQLXMT-UHFFFAOYSA-N	415.306	5.135	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2	115935268	LRXYVKZCXAUMQQ-BALBBAFXSA-N	415.537	5.345	30	20	HKED	
Cc1sc(CNC(=O)N[C@H](CCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1	429081558	UCFALVDGTQUNSZ-LJQANCHMSA-N	424.957	5.616	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H]1c1cccc2ccccc12	432483570	PVPOKPXFSUMDSM-DEOSSOPVSA-N	411.505	5.184	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2cccc(OC(F)F)c2)cc1F	437459212	IMYPWPROXAJIPK-UHFFFAOYSA-N	412.367	5.272	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(F)(F)F)CC3)cc2F)c1	437956225	RYJRCCBUUAWFDX-UHFFFAOYSA-N	421.394	5.083	30	20	HKED	
C=CCC[C@@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)c1ccc(C(F)(F)F)cc1	441591612	PQZFHSPVIATNTB-JLTOFOAXSA-N	407.480	5.058	30	20	HKED	
Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1C1CC1	441791973	DWNIHXXIPWBYJD-UHFFFAOYSA-N	411.461	5.114	30	20	HKED	
COc1ccc(C2(c3noc(CSc4ccc(C#N)cc4)n3)CCCC2)cc1OC	445855544	KLNMKBKVJRYKRH-UHFFFAOYSA-N	421.522	5.111	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)o2)cc1	445999729	XTKZGWRKCYKOSQ-RBUKOAKNSA-N	412.415	5.053	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1csc2ccccc12	446050935	GRMTWFDYQUPPTI-OAHLLOKOSA-N	408.548	5.897	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(Cc2ccc(F)cc2)no1	447402092	GFKOYQWZEMPXPI-INIZCTEOSA-N	414.440	5.637	30	20	HKED	
CC(C)N(C(=O)c1ccc(COc2ccccc2C#N)o1)c1cnc2ccccc2c1	448460662	DUCJZRWYZAAAFB-UHFFFAOYSA-N	411.461	5.334	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	464228431	CJCXTYPQRSOHJB-OPAMFIHVSA-N	404.441	5.093	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c[nH]nc3-c3ccc(F)cc3)n2)cc1	464520294	JELSVHWCJLDBKU-QGZVFWFLSA-N	402.454	5.138	30	20	HKED	
O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1CCC[C@@H](C(F)(F)F)C1	464724062	PKWLACACAZCJDW-WDEREUQCSA-N	423.332	5.337	30	20	HKED	
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCCSCC#N)c(C)c1	466621682	ZJUXYQJFYBHOCX-UHFFFAOYSA-N	408.596	5.214	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCCc1cccc(C#N)c1)C1CC1	466819244	KVXIODJFGGYRFC-OAHLLOKOSA-N	401.432	5.055	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)ccc1F	468641662	MAHVEDOSEWNWOK-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccccc1-n1cccn1	470591136	OYPBZRMUHYCJGO-IAGOWNOFSA-N	405.527	5.007	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1	472311887	BBUWYWGUMSKRBV-SEPYTNNBSA-N	411.546	5.099	30	20	HKED	
CCn1ncc2c(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc(-c3ccccc3)nc21	474434304	RZTYDMBRRVETQB-KRWDZBQOSA-N	415.522	5.188	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1cccc(C(F)(F)F)c1	474552500	UJKIAFWBOGFJNZ-SFTDATJTSA-N	400.444	5.326	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CCSC)c1nnc2ccccn12	475552700	CXMNZLRXCMHUNO-LJQANCHMSA-N	423.586	5.197	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1	476118155	AYLALUZUHDKOKN-GOSISDBHSA-N	408.567	5.252	30	20	HKED	
N#CCCn1cc(C(=O)CN(CCC(F)(F)F)Cc2ccccc2)c2ccccc21	484802931	DIHSPWVFFJWVBQ-UHFFFAOYSA-N	413.443	5.192	30	20	HKED	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	491138072	RCZOJPVBLSRDFL-XMMPIXPASA-N	405.542	5.207	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1	493965162	MRARPUUXNWNELN-PKTZIBPZSA-N	416.908	5.727	30	20	HKED	
N#CCCn1cc(CNCC2(c3c(F)cccc3F)CCCC2)c(-c2ccccc2)n1	500142521	JCRPTWTVKKEIRD-UHFFFAOYSA-N	420.507	5.344	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	501446044	ACRACLYVAUWSMP-LJQANCHMSA-N	400.478	5.046	30	20	HKED	
C=CCN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc(-c2ccccc2)cs1	502560263	JWFIQTZCGHATNH-OAQYLSRUSA-N	404.535	5.537	30	20	HKED	
CCC[C@H]1C[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1	503020323	PQGNHVZRGKKPHG-ICSRJNTNSA-N	412.917	5.324	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)n1-c1nccs1	507907719	WGVZDNYGJDVYMF-UHFFFAOYSA-N	414.490	5.467	30	20	HKED	
CCN(C(=O)CCc1nc2ccccc2n1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1	509559011	KCOMYBZVJATLRL-HXUWFJFHSA-N	422.532	5.439	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	512363953	XILDNKDJLNWGEI-QGZVFWFLSA-N	420.328	5.139	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(F)c1	513213256	TXAAKYCMJRIARH-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	513281750	UDSCWDQUDWKVMZ-CYBMUJFWSA-N	424.272	5.176	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Oc2ccccc2)c(F)c1	515715690	HLDTVISZNJDTQE-DLBZAZTESA-N	403.457	5.167	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	517474192	YEPUIWDHQSLFJI-JKSUJKDBSA-N	422.579	5.945	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCCC2	517520469	HESZDOLFCZYUBW-QGZVFWFLSA-N	406.551	5.561	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C	517874008	WIVVWARJMNHIKS-UHFFFAOYSA-N	411.594	5.410	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CC1	518496304	TYNTZRNIYBFHCQ-UHFFFAOYSA-N	416.896	5.344	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)c1ccc(C#N)cc1	518704811	NNAYFKNHMRDALX-VBKZILBWSA-N	412.331	5.222	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1OC(F)F	518737286	PVYDENMKWZMZLQ-HNNXBMFYSA-N	423.419	5.391	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(F)cc1	520321817	KDDCELZIDOODBE-QFIPXVFZSA-N	403.457	5.402	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N[C@@H]1CCCC[C@@H]1C	521733098	CCFHBRSGLMRWKV-OFQRWUPVSA-N	413.509	5.206	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCSCc1ccccc1C#N	521809315	AEAJFIKZVXGLIY-INIZCTEOSA-N	410.568	5.007	30	20	HKED	
N#Cc1cn(CC/C=C\c2ccc(Br)cc2)c2ccc(Cl)cc2c1=O	522685461	FCVOIBMPMIIQAF-IWQZZHSRSA-N	413.702	5.393	30	20	HKED	
COc1cc([C@@H](C)Nc2cc(C#N)c3ccccc3n2)ccc1OCc1ccncc1	522936192	NEMNYJLBEKIJHW-QGZVFWFLSA-N	410.477	5.262	30	20	HKED	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	523909262	MXAPFLQHUAKEGP-YJBOKZPZSA-N	401.963	5.877	30	20	HKED	
COCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	524140990	BPFWYTRDOAPNQT-UHFFFAOYSA-N	406.869	5.189	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C	524413461	GKWLRIQPRBCGRM-GOSISDBHSA-N	416.477	5.033	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1	531080662	SUWCTBYCRSMTJM-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1-c1ccccc1	531400971	GZBBFHHDKMJJNM-UHFFFAOYSA-N	421.456	5.679	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)o1	531865720	XWXMJJPHUIWXFJ-KRWDZBQOSA-N	420.881	5.312	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nc2ccccc2s1	535385970	YUQCIVUESHZJSC-QGZVFWFLSA-N	406.470	5.397	30	20	HKED	
CC(C)(C)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C#N)s1	536010603	JHBSSURXQIOLGW-UHFFFAOYSA-N	415.518	5.024	30	20	HKED	
CCCCn1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C	536433040	KTTROOMEBHNVFT-UHFFFAOYSA-N	408.889	5.561	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2OCc2ccccc2)c(C#N)c1C	539330230	DYNVMXHQFCVYLJ-MSOLQXFVSA-N	417.509	5.025	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nn1-c1ccccc1Cl	539731378	FPIGSTGLSHAQBR-UHFFFAOYSA-N	407.905	5.148	30	20	HKED	
C=CCN(C(=O)c1coc(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1	540664271	PYHDJAKFJCPXOA-UHFFFAOYSA-N	421.909	5.951	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1	542358168	KOXBKCLFKXEEAB-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1	544151770	AWSNLQZHWSJZRO-UHFFFAOYSA-N	422.431	5.089	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)c1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1	545141272	JGXKDBJPJWPKNJ-SNVBAGLBSA-N	410.207	5.528	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1	547418497	XKXPLYKSIXAADU-QGZVFWFLSA-N	415.493	5.467	30	20	HKED	
COc1cc(C)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C)c1C	554080477	HDMFOFLTTXPNDC-UHFFFAOYSA-N	400.478	5.323	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(C3CCOCC3)CC2)c1	554553804	CVORQTYJZGVUGJ-UHFFFAOYSA-N	424.928	5.283	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1)[C@@H]1C[C@@H]1C	554661020	XGTZNOCQMXPXJM-SSOJOUAXSA-N	424.504	5.315	30	20	HKED	
CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	554810415	BZIZZPLPCQMVKM-BGYRXZFFSA-N	416.443	5.330	30	20	HKED	
CC(C)(c1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)C(F)(F)F	561309833	XESYPSGYYDFEIF-OAHLLOKOSA-N	419.422	5.002	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4ccccc4F)CC3)cc2)ccn1	564444125	XNJRRSYQAODWNM-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1	567315169	FGHVFFDAXCBJGS-XZOQPEGZSA-N	417.509	5.224	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1	591776580	JMWPIDZXQXNIGT-QHCPKHFHSA-N	418.562	5.133	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccccc2)nc1C	603601362	WXZVNOOCVOSCQR-UHFFFAOYSA-N	420.472	5.677	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-]	603843499	FIMPSFXTCAAWIF-INIZCTEOSA-N	405.479	5.506	30	20	HKED	
COc1cc(C(=O)N(CCC#N)C(C)C)ccc1OCc1ccc(Cl)cc1Cl	608813846	JNTLEWOVNGHXLZ-UHFFFAOYSA-N	421.324	5.345	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H]2CCCOc3ccc(F)cc32)c1	609433216	KKQZXNBBMTYCJH-DEOSSOPVSA-N	402.469	5.280	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1	609460659	PFTBLSBMGBZQFV-NRFANRHFSA-N	410.395	5.279	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)c2C#N)C1	609620708	GVQVJDAEGUGLTG-CYBMUJFWSA-N	423.925	5.838	30	20	HKED	
CC[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C)cs1	609724124	VPTYAQTVIZFGIW-GOSISDBHSA-N	411.914	5.650	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	609755557	NAGWOFCRSPMDPB-RUZDIDTESA-N	411.505	5.053	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610015288	DDJUXGWKKWMSET-UYAOXDASSA-N	412.493	5.464	30	20	HKED	
C[C@H](NC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1	611844435	UJTLUUCSXLDCTH-IRXDYDNUSA-N	409.493	5.223	30	20	HKED	
N#C[C@@H](C(=O)c1cc2sccc2s1)c1nc2cc(C(F)(F)F)ccc2s1	617898180	ZNHOAVBOXLUHER-VIFPVBQESA-N	408.451	6.081	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)nc2ccccc21	677792317	CHOFCPOMELTELA-ZDUSSCGKSA-N	408.433	5.124	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	680213811	PTXBRRCHXDJKLG-CQSZACIVSA-N	410.289	5.300	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1NC(C)=O	726430429	YVFUVDLHNYDPKD-GXDHUFHOSA-N	415.489	5.437	30	20	HKED	
CCOC(=O)c1c(C2CC2)csc1NC(=S)Nc1ccc(C#N)c(Cl)c1	726438772	XBMQQVFLRDPISP-UHFFFAOYSA-N	405.932	5.136	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)c1	730173097	VCSYQMAENDEYBC-OAQYLSRUSA-N	410.445	5.339	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc2cc(F)ccc2s1	730416081	ACMZOXMKMXKQQQ-AWEZNQCLSA-N	415.287	5.106	30	20	HKED	
N#CCOc1cccc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)c1	730437162	PVJZASPQLSFTJT-MDWZMJQESA-N	418.396	5.233	30	20	HKED	
CC(C)(C)n1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)c(-c2ccccc2Cl)n1	731156673	JILAPBKYIRFRJV-JLHYYAGUSA-N	419.912	5.757	30	20	HKED	
O=C1/C(=C/c2csc(COc3ccc(Cl)cc3)n2)COc2ccc(F)cc21	731565393	NMYIRWKVQXRYCD-KPKJPENVSA-N	401.846	5.173	30	20	HKED	
N#CCCCOc1cccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)c1	731938441	QGBFBSLRTJJPNX-VKAVYKQESA-N	418.493	5.844	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCc2ccccc2C1)C(=O)Nc1ccccc1Oc1ccccc1	732596321	PSSKLJBTKFHGSW-WMZHIEFXSA-N	424.500	5.321	30	20	HKED	
COCCOc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	733621078	HQBIABUHJYVLRY-HSZRJFAPSA-N	401.466	5.011	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1	733843060	JSIZYVDSYYZRJJ-FQEVSTJZSA-N	416.481	5.185	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	735014746	FEGYMSYTTMURKC-UHFFFAOYSA-N	424.287	5.299	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1F	741840872	GPJGEMJHPSFADX-CLFYSBASSA-N	420.914	5.507	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1	741841154	KURFDTSTDKRMFK-VURMDHGXSA-N	402.771	5.419	30	20	HKED	
COc1ccc([C@@H](C)CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	743093381	SYIVNZYXINNBRD-UQBPGWFLSA-N	413.521	5.666	30	20	HKED	
C=CCC[C@H](NC(=O)N(CC)CCc1ccccn1)c1ccc(C(F)(F)F)cc1	750440574	CJZUXUIQMJHCLI-FQEVSTJZSA-N	405.464	5.382	30	20	HKED	
CCC(=O)c1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F	756923700	JDZBAZLEFJMHNB-QWRGUYRKSA-N	413.333	5.058	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)C[C@H]2c2ccccc2F)c1=S	765042637	ZYXWQQXJPZAIGQ-UTKZUKDTSA-N	423.561	5.232	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	766469289	QOGUTGPKHYAAOY-FOIQADDNSA-N	407.514	5.407	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)cs1	766507786	XYIAJDGUBXBUEW-YQZDYSOMSA-N	416.546	6.156	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1cc(Br)sc1Br	768713821	DLCQCGBNKSOCAZ-UHFFFAOYSA-N	409.143	5.150	30	20	HKED	
N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1ccc2ccccc2n1	769786367	AJPVNSXYPOTONN-KTZOAPACSA-N	400.787	5.710	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](CC)c2cc(F)cc(Br)c2)c1	776163684	CLLCDTSKFKROQI-AZUAARDMSA-N	405.311	5.510	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(C)cc(Br)cc2Cl)c1	778001031	SOWXGOXXELPPSB-HNNXBMFYSA-N	421.722	5.022	30	20	HKED	
COc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12	779195300	WAFSHROGEACEEY-MRXNPFEDSA-N	421.909	5.372	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	780677135	HDSVCOAZFVTJNH-FZKQIMNGSA-N	404.297	5.653	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccnc(F)c1	794719577	MUVZYIYUVKQXJF-DJWKRKHSSA-N	417.190	5.048	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2)c1	796906479	WLSSOAKMRMYSRL-OAHLLOKOSA-N	423.419	5.007	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C(C)(C)c2ccc(Br)cc2)s1	797566485	LEFCVRMQDPTEKV-CQSZACIVSA-N	405.361	5.357	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N	804344696	YPQWHTRUTNCFTG-UHFFFAOYSA-N	402.498	5.192	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1coc2ccc(C(C)C)cc12	805853411	IWORKHMLXKBNSV-MRXNPFEDSA-N	424.884	5.488	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)s1	810521121	KZRHSSOQQIXRSL-HNNXBMFYSA-N	407.495	5.158	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)s1	812829587	VKSBAEPSXAAMIU-UHFFFAOYSA-N	423.991	5.172	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)c1	863939718	KMFNNXNRASITOG-INIZCTEOSA-N	416.502	5.131	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(C(F)(F)F)cn1	914554178	DSZGTBSOCCHHKQ-UHFFFAOYSA-N	407.827	5.509	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C\c2ccccc2OCc2cccnc2)cc1Cl	915985780	XFPOSYYTHLSYSE-KTKRTIGZSA-N	409.869	5.227	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(C)n(Cc2ccccc2)c1=S	916567721	WNLKKPQPEOTGCW-UHFFFAOYSA-N	404.992	5.131	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2ccccc2s1	916846473	WPPNYUVYOYJPNQ-FPOVZHCZSA-N	424.481	5.241	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccccc2)cc1	916883553	MHVVTXDUSWWZFX-FQEVSTJZSA-N	422.456	5.629	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)c1	916897815	OSPJSOAABHDCIC-SBSDFTTDSA-N	406.791	5.028	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3)o2)cc1	916955986	WJVWLKIXFMDUGE-UTKZUKDTSA-N	415.493	5.135	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1	917045298	XQGQVECRQJDVTN-CQSZACIVSA-N	407.347	5.962	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccccc2C(F)(F)F)cc1	919773771	XHKFZUKWKCKWEN-NRFANRHFSA-N	423.438	5.725	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@@H](c1ccccc1)c1ccc(Br)cc1	920864648	HTJVKIXCMQJOTG-FQEVSTJZSA-N	422.351	5.397	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1	920936818	FBDUNQQCMILTNB-UHFFFAOYSA-N	402.401	5.022	30	20	HKED	
C=C(Br)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	921115963	LXMUXKLTMUDXIQ-UHFFFAOYSA-N	406.667	5.034	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1	1787424354	YRDZATKFPDBGDX-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)c(C)c3)CCC2)cc1	1789624022	AYZFAHUCTKCSHX-UHFFFAOYSA-N	419.569	5.439	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]c(C)cc5c4)cc3)CCC2)C1	1790986995	KPSQVGSIRDVSHG-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC)c2ccccc2)CC1	1831371957	PUNDEWGBXULNSG-ZTCOLXNVSA-N	410.602	5.012	30	20	HKED	
CCOc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc(Cl)c1OC	6880958	JTXFRDWQGHZPPI-BOPFTXTBSA-N	416.930	5.256	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1	21754686	FUJNERKDABSLST-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(C)cc1C	22729554	BAAWIXONALAWPU-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(O)c2)c1	22729579	NJXBCLBHJDMQGZ-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
C=CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2ccccc2)cs1	23123719	MZGYMLQAPUYDSQ-UHFFFAOYSA-N	421.503	5.766	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)c(C)[nH]1	23604697	JVPZDZCKEVSZPV-UHFFFAOYSA-O	419.357	5.277	30	20	HKED	
COc1cc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(F)F	23609048	MIVONXKUHCWNTL-KAVGSWPWSA-N	401.365	5.035	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1ncc(-c2cccc(Cl)c2)o1	55844340	VKPVWMITSRNFNC-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	110595656	RULWVSSGFHYRIE-UHFFFAOYSA-N	418.522	5.026	30	20	HKED	
COc1ccc(Br)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	303135090	BXIBXQLCSZLQPV-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(COc2ccccc2C#N)o1	303207918	QIGWJNYXBXFBJD-UHFFFAOYSA-N	408.885	5.135	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1	409799733	XPIWZCLDOSZGGY-DILOTOHQSA-N	413.477	5.513	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1ccc(Cl)cc1	429735788	GMPFSKCQCZEWQI-CABCVRRESA-N	403.935	5.181	30	20	HKED	
N#C[C@@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nc2cc(Cl)ccc2s1	429887613	QTKWCOLEZBTUEN-ZDUSSCGKSA-N	410.911	5.319	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1ccc(C#N)cc1	430195851	KWGWXPCRAVAOQW-YJYMSZOUSA-N	416.294	5.068	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)n1	430508816	HICJBGKMECEEJM-GFCCVEGCSA-N	405.310	5.249	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1F	431334381	YGWJJJXYMJOOCX-LIRRHRJNSA-N	418.310	5.384	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)o1	433180823	YXPDNHJECOGMRS-NRFANRHFSA-N	402.498	6.022	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1	435096442	MPNFCEKMKQDICZ-QHCPKHFHSA-N	406.526	5.007	30	20	HKED	
N#CCCn1cc(CN(Cc2cc(F)ccc2F)C2CCCC2)c(-c2ccncc2)n1	435126978	SWPILHOWVBSWAJ-UHFFFAOYSA-N	421.495	5.082	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCC4CCCC4)CC3)cc2)c1	435131733	FHECQTAYVICDDF-UHFFFAOYSA-N	419.525	5.554	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)c3cc(Cl)ccc3C#N)c3c(C)noc3n2)c(C)o1	436001477	OENSLPGKBXGNKJ-UHFFFAOYSA-N	420.856	5.210	30	20	HKED	
CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	436141133	MWMBQFVIICAQLN-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cccnc1C(F)(F)F	436284389	YXPXGJIMSSQSPJ-UHFFFAOYSA-N	414.252	5.015	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1N1CCCCCC1	437687120	PCAUXIUEDXBYPY-GGAORHGYSA-N	402.542	5.371	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)s1	438039021	PBQGNECPQCBKCR-UKRRQHHQSA-N	402.589	5.633	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)cc1	438542401	TYIWCIRJOBLESL-SFHVURJKSA-N	405.420	5.145	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(Br)cc1Cl	440577958	DAHARJOWWCXSLY-LLVKDONJSA-N	424.751	6.141	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cs1	442533392	XDLOMWXQAJLQGT-HNNXBMFYSA-N	408.433	5.353	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccco1)c1cccc(C#N)c1	442905552	ZXMKOXGPTVDQRP-OAHLLOKOSA-N	404.470	5.450	30	20	HKED	
N#Cc1cccnc1OC1CCC(NC(=O)N(c2ccccc2)c2ccccc2)CC1	445696862	LAEJDICAIWEXJK-UHFFFAOYSA-N	412.493	5.191	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(F)c1F	461116885	ZONZFOGINPFAMQ-UHFFFAOYSA-N	424.378	5.009	30	20	HKED	
Cc1c(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)cccc1OCC(F)(F)F	463684190	KGHGDJHPIMHNJL-UHFFFAOYSA-N	413.264	5.485	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2sccc2OC(F)F)cc1F	467511230	BWIGBFAFKBSVBS-UHFFFAOYSA-N	404.369	5.405	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CCC[C@@]12CCCCO2	468646351	CUMHSUXYZQCPMP-GMAHTHKFSA-N	410.901	5.200	30	20	HKED	
Cn1cc(Nc2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)cn1	468994301	OWATYKJQLSGRBT-UHFFFAOYSA-N	423.476	5.274	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(c3ccncc3)CC2)c1	469972905	ANPWMJROPZUXRD-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	471977379	LUEXWXFJOMZJGB-PBHICJAKSA-N	419.472	5.317	30	20	HKED	
Cc1ccc(C)c([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	474234852	UFTZVOZMGLHOPC-KNQAVFIVSA-N	407.583	5.473	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1ccc(Cl)cc1)c1ccccn1	475933893	PSCFTEIBRZCPOV-SQJMNOBHSA-N	417.940	5.760	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCCc2cccnc21	475976488	YMTVMPNAYOCRAT-QFIPXVFZSA-N	415.493	5.055	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(-c2ccncc2)cc1	491195413	JAFWMUGNZMHAMF-IBGZPJMESA-N	403.485	5.778	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1	502514992	HGYBUEPAPBDBQO-UHFFFAOYSA-N	404.348	5.173	30	20	HKED	
N#Cc1cc(F)c(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c(F)c1	505605287	FUWBUTXNWZZUTA-UHFFFAOYSA-N	400.432	5.360	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCCO[C@H]1CCCc2ccccc21	506838884	MUVZVMKCKFBCRQ-GCJKJVERSA-N	423.582	5.544	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(COc2cccc(F)c2)c1	510772394	HTSWAPDILNFZDW-UHFFFAOYSA-N	400.453	5.105	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nccn1-c1ccccc1	512792098	HJFIPXQVDTZJBW-HNNXBMFYSA-N	400.935	5.046	30	20	HKED	
N#Cc1ccc(CN2CCC(Nc3cccc(CSc4ccccn4)c3)CC2)cc1	512822705	WWLKRLVWTXWJQQ-UHFFFAOYSA-N	414.578	5.322	30	20	HKED	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SC[C@@H](C#N)CCC#N)nnc1-c1cccs1	514613057	INKZDCMFQNJJFF-MDMSPXHWSA-N	411.600	5.539	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2ccc(CC)cc2)n1	515665871	LXLIWZBEELVFOL-UHFFFAOYSA-N	406.551	5.138	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC(F)F)c2ncccc12	516071278	DLHWBVPOFZMYOV-UHFFFAOYSA-N	401.388	5.195	30	20	HKED	
Cc1ccccc1C1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	516883951	OIQLLLAGSWNPGE-IBGZPJMESA-N	407.583	5.207	30	20	HKED	
CC(C)c1noc(Cc2ccc(NC(=O)Nc3cccc(OCCCC#N)c3)cc2)n1	519641859	ALEFSPQMAKHVFP-UHFFFAOYSA-N	419.485	5.110	30	20	HKED	
C[C@H](CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)CO)c1ccccc1	520444374	YDURKRWYUMSRAT-CEXWTWQISA-N	411.571	5.099	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H]2CCOc3c(Cl)cccc32)c1	520944895	QKLCRJGERIZDGY-HSZRJFAPSA-N	404.897	5.404	30	20	HKED	
C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	521114691	GALWYHGCSSJMEU-VIZSFHNOSA-N	417.553	5.022	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1C(C)(C)C	521473914	ZVOATIIHVAPBBY-LJQANCHMSA-N	406.917	5.508	30	20	HKED	
Cc1cccnc1[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)C	523768405	PUHJRBHVWLANIQ-JOCHJYFZSA-N	400.482	5.573	30	20	HKED	
CC[C@@H](c1nnc(S[C@H](C)c2ccc(C#N)cc2)n1-c1ccc(OC)cc1)N(C)C	531409032	GPGGBGXCJBZGPU-IERDGZPVSA-N	421.570	5.014	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)cc1Cl	534401952	BQXFEPPDFLKXLM-PXNSSMCTSA-N	423.925	5.556	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)cc1	536275970	RGBGTWWLVWEVCS-UHFFFAOYSA-N	402.475	5.356	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCn1c(C2CC2)nc2ccccc21	537643469	WIIAVKMUCPPSLS-INIZCTEOSA-N	404.539	5.194	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1-c1cccc(Cl)c1	538631938	TYRLGUZESDMXBP-RTWAWAEBSA-N	419.916	5.138	30	20	HKED	
C[C@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2cccc(C#N)c2)cc1	541091281	UUZRAPWAJXWYBO-INIZCTEOSA-N	414.896	5.779	30	20	HKED	
C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2ccc(Cl)cc2)s1	541701668	VPIFSUQRHSZBMW-CQSZACIVSA-N	420.925	5.841	30	20	HKED	
C[C@]1(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO[C@H]1C1CC1	543292308	FIWRGMWHERYDIV-NWSQWKLXSA-N	409.917	5.075	30	20	HKED	
CCN1C(=O)CCc2cc(NCc3cccc(OCc4ccccc4C#N)c3)ccc21	545350100	PWYWLWANQSXAAB-UHFFFAOYSA-N	411.505	5.048	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)c1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1	547260389	LSFUZIZHAGVJTN-JTQLQIEISA-N	410.207	5.528	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)N1CCCC1	548183783	NICBFCMAZWKTCB-NSHDSACASA-N	408.264	5.133	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1cc(Cl)ccc1Cl	550676514	ZYUHDIXVFNQHNM-JTQLQIEISA-N	424.353	5.040	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(-c2c(F)cccc2F)cs1	551706588	LPPQUVDQDGKRJD-HOTGVXAUSA-N	410.445	5.082	30	20	HKED	
CSC[C@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	554279857	WMILGOQPKYQAHU-HNNXBMFYSA-N	400.931	5.219	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@](F)(c2ccccc2F)C1	554908039	IZPBLPBXTNKMJZ-YCRPNKLZSA-N	401.482	5.180	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)c1nc2ccccc2[nH]1	558176121	ZQGYTZOMXCVJIM-KRWDZBQOSA-N	411.852	5.045	30	20	HKED	
N#C[C@H](C(=O)c1coc(C2CCCCC2)n1)c1nc(-c2c(F)cccc2F)cs1	558865070	DGINSSYZCMEGDC-CYBMUJFWSA-N	413.449	5.614	30	20	HKED	
C[C@](C#N)(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCCCC1	559597528	XQYLXFXHAAOFDO-XMMPIXPASA-N	418.566	5.219	30	20	HKED	
Cc1cc(C)n(-c2ccc(CN[C@H]3CCc4ccc(C#N)cc43)c(C(F)(F)F)c2)n1	564432583	UMMUDQCFZSOZJF-QFIPXVFZSA-N	410.443	5.157	30	20	HKED	
N#CCc1ccccc1NC(=O)c1ccc(-c2ccc(Br)s2)s1	566879456	MRDHMGRNXDNILI-UHFFFAOYSA-N	403.326	5.557	30	20	HKED	
CC(C)Cn1ccc2c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cccc21	572569904	NAKQMBFLNYGVPR-IBGZPJMESA-N	400.507	5.306	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2CC#N)cc1	580470059	VZXZVHXZESLEBT-UHFFFAOYSA-N	409.489	5.481	30	20	HKED	
COc1ccc(-c2ccc(CN[C@H](CCCC#N)c3ccccc3)o2)c([N+](=O)[O-])c1	580543292	VBGGJJPEHOQDSO-OAQYLSRUSA-N	405.454	5.388	30	20	HKED	
C[C@]1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)OCCc2sccc21	589326102	SKCQNPKWKYTCNH-HSZRJFAPSA-N	419.506	5.022	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2nc3ccccc3n2C(F)F)ccc1OC	589842340	NORHAYWNQPGWIF-OAHLLOKOSA-N	401.457	5.246	30	20	HKED	
COc1ccc2oc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c(C)c2c1	603739804	FOUUIZFQUWZMGA-UHFFFAOYSA-N	413.433	5.370	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)CSCc3coc(-c4ccccc4)n3)c2C#N)C1	603749863	DOQSOJYPCWFBGV-CQSZACIVSA-N	423.563	5.271	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)n1	608841328	NFLPWKDZGYFMJB-UHFFFAOYSA-N	404.539	5.680	30	20	HKED	
CC(=O)Nc1cccc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1	609151814	MMILYCMFQDHCHS-UHFFFAOYSA-N	403.869	5.017	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F	609212800	YGBFZYKGZSSRAO-UHFFFAOYSA-N	419.447	5.808	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1	609429164	IYYXNHFKJAASJV-NSHDSACASA-N	418.437	5.040	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	609585080	BZCMYGMSOBQIPZ-KRWDZBQOSA-N	404.539	5.119	30	20	HKED	
CCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-]	610468032	IVROAWUNQKSNOX-CYBMUJFWSA-N	419.384	5.276	30	20	HKED	
COCCOCc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	610489971	CKIYQEZYUQWJRF-UHFFFAOYSA-N	418.518	5.125	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)cc1	615131099	DSIVONJQHLTWND-FQEVSTJZSA-N	403.873	5.008	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)o1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618298636	SOMCXMPDWFLHQS-RYUDHWBXSA-N	409.301	5.289	30	20	HKED	
CCC[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	675204038	ZBGFRERVFCMOKF-OBJOEFQTSA-N	418.328	5.188	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc2ccccc2n1	682002837	QHZRAJGYIDTMIF-INIZCTEOSA-N	422.362	5.883	30	20	HKED	
N#Cc1ccc(NC(=S)N(CCc2ccccc2)Cc2ccccc2)cc1Cl	726437668	GCUWDXGLESWGKZ-UHFFFAOYSA-N	405.954	5.653	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(C(=S)Nc4ccc(C#N)c(Cl)c4)CC3)c2c1	726477283	SEKQLAKCHUALRV-UHFFFAOYSA-N	424.957	5.278	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nc3ccccc3s2)c1	728185578	LUIODBYTGKXUIB-UHFFFAOYSA-N	404.516	5.196	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@H](c2ccncc2)c2ccc(F)cc2)cc1OC	728415560	JOAIFDJNPPXRIE-YBDDICJNSA-N	419.452	5.140	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1	729411315	NHOPUBLQIDFISS-UHFFFAOYSA-N	408.498	5.191	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(C3SCCCS3)cc2)cc1	731198006	CNVRWDDJCFEFEZ-HXUWFJFHSA-N	410.608	5.847	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1	732427888	LYNHFEVRJZDGRO-QMHKHESXSA-N	419.456	5.042	30	20	HKED	
CCCC[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cc(C)on1	732919812	XZVJPSGWTZJASP-JOCHJYFZSA-N	418.497	5.043	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(C)cc1	739159896	OSDDQQZNFATNLO-LAUBAEHRSA-N	404.535	5.887	30	20	HKED	
COc1ccc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc1C#N	741849194	URTMLOZOYMAHFQ-LICLKQGHSA-N	419.893	5.681	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	745268148	QANJLQWOQKYWIH-RUZDIDTESA-N	406.489	5.434	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	746139666	ZLPIXLZMWSOESE-TZMCWYRMSA-N	418.349	5.472	30	20	HKED	
N#Cc1ccc(/C=C2/CN(C3CCCCC3)C/C(=C\c3ccc(C#N)s3)C2=O)s1	748998498	QGKQSSZCAJOFAH-VRNBXGKJSA-N	419.575	5.237	30	20	HKED	
COc1ccc(C(=O)N2CCCCCC2)cc1N=Cc1c(O)ccc2ccccc12	749105558	VEYZZDVVWYQMIX-UHFFFAOYSA-N	402.494	5.321	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCCCC[C@H]1C[C@H](O)c1cccs1	750840406	ZZZMWCNMLDMZMP-OALUTQOASA-N	404.963	5.172	30	20	HKED	
CC(C)CN(CCC#N)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	751373783	HGRJTUJCTFLJFF-HNNXBMFYSA-N	405.951	5.015	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cc(Cl)sc1Cl)c1nc(-c2ccncc2)cs1	756246797	ZDMZTBTWLJKUNL-ZDUSSCGKSA-N	422.362	5.773	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	759334188	UIANZMYBLSPFTN-GGAORHGYSA-N	410.521	5.184	30	20	HKED	
Cc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c(C)n1-c1ccc(C#N)cc1	759745795	FWFGZEHGUSGCCU-UHFFFAOYSA-N	405.408	5.032	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1	760372718	SPLIZQSHRBCAOX-UHFFFAOYSA-N	424.334	5.262	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(C#N)s2)cc1OC	762448720	YSDPVBNEZFFPKC-GQCTYLIASA-N	406.301	5.076	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2csc3ccccc23)c1=S	764888766	KDRNGFULJKQZOD-UHFFFAOYSA-N	421.595	5.356	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN(C)Cc2ncc(CC)s2)c1=S	765050748	ILYVMBAJMPKOBX-UHFFFAOYSA-N	420.007	5.029	30	20	HKED	
Cc1cc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c(C)n1-c1ccc(C#N)cc1	766004603	XSEDWASERHJPMG-VWLOTQADSA-N	424.479	5.019	30	20	HKED	
N#CCCCn1cc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c2ccccc21	768205722	BWNWGVQLJMAVRC-SANMLTNESA-N	423.516	5.075	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccnc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	771260678	JOZJRUIORGHCSJ-BIVBXWGWSA-N	407.804	5.253	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3cccs3)cc2)ccc1OC	772977923	DAIIESBTTRPUTQ-UTKZUKDTSA-N	406.551	5.955	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1	781554972	BJFGNLQDLOUCKX-OUKQBFOZSA-N	407.901	5.056	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782753659	LQKRABNEKMWZEF-IBGZPJMESA-N	412.537	5.194	30	20	HKED	
CC(C)N1C(=O)C[C@H](/N=C/c2cc(Cl)ccc2O)[C@@H]1c1ccc(Cl)c(F)c1	782881685	XNVZVQZZTSDRDL-FKPTZYIHSA-N	409.288	5.008	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(=O)NCCCCCC)C1	789461385	YCUOCHJKVHXJRD-OAQYLSRUSA-N	413.606	5.479	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCc3c(Br)cccc3C2=O)cn1	792891901	XTRRQTLWLFBKFQ-PTNGSMBKSA-N	421.294	5.127	30	20	HKED	
CC(C)O[C@@H](C=Nn1cnnc1SCc1ccc(Cl)cc1)c1ccccc1	792941805	ROSGDUZIZNKQPQ-IBGZPJMESA-N	400.935	5.224	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C\C(=O)c1cccc(-c2ccncc2)c1	794700356	JAECQJVDHBWXMV-HJWRWDBZSA-N	400.869	5.187	30	20	HKED	
C[C@@]12CC[C@H]3[C@H](CC=C4C[C@H](OC(=O)c5ccnc(C#N)c5)CC[C@@]43C)[C@@H]1CCC2=O	796736183	PAWCCKPWTVSANG-BJDQZLKVSA-N	418.537	5.011	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CSCc2cc(-c3cccs3)on2)s1	797568296	HEGCIBXRKKIZFV-ZDUSSCGKSA-N	417.581	5.267	30	20	HKED	
CN(c1ccccc1)c1ccc(/C=C/C(=O)c2cc(Br)ncc2F)cn1	797789518	RVONHKBXIDOSQG-VQHVLOKHSA-N	412.262	5.042	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC=C(Br)C2)cc1F	799404243	VEVVUIPPDGRCOJ-UHFFFAOYSA-N	416.250	5.006	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCOC2=O)cc1)=C\c1ccccc1C(F)(F)F	799892538	JTTAHZDOLCMZKA-DBLDUACQSA-N	401.384	5.504	30	20	HKED	
O=C(Nc1cc(F)cc(Br)c1F)c1cc(F)c(C(F)(F)F)cc1F	808783132	KMRGLOBSQFEEKT-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
N#CCCC[C@H](NC(=S)Nc1ccccc1Oc1ccccc1)c1ccccc1	814210688	RTHKRLQUPSVSJU-NRFANRHFSA-N	401.535	6.200	30	20	HKED	
CC(=NNc1cncc(Cl)n1)c1sc(-c2ccc(Br)cc2)nc1C	814797294	FRWSXCMYRXMFFH-UHFFFAOYSA-N	422.739	5.161	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)s1	817320121	YDULYIPPEALOAX-QGZVFWFLSA-N	413.543	5.284	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2ccccc2s1	916846468	WPPNYUVYOYJPNQ-CTNGQTDRSA-N	424.481	5.241	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)o1	916904032	VIAIGAKWYOGEDR-LJQANCHMSA-N	404.441	5.172	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2cccc(C(F)(F)F)c2)cs1	917532808	SALUGFBIUJFFME-UHFFFAOYSA-N	422.407	5.432	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1	917728503	VAQHYURPAXFARW-UHFFFAOYSA-N	422.488	5.474	30	20	HKED	
O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1	918713030	IXNHDILJXUGULS-YHYXMXQVSA-N	400.843	5.180	30	20	HKED	
CC1(C)CCc2nc(O)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2C1	1340854000	FAEQEVCVWUCUKY-JOCHJYFZSA-N	411.505	5.210	30	20	HKED	
CC1(C)CCC(CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)CC1	1790570023	ZNIQJOLVDDEWPX-UHFFFAOYSA-N	409.574	5.277	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCC2)CC1	1823750683	DWBYTUWGXCDSKC-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
N#CCc1ccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1	15499078	PKFVZJMKXVIBJA-NRFANRHFSA-N	409.411	5.563	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(Br)c1	16028377	FRJPXKDEVCOIEQ-UHFFFAOYSA-N	409.308	5.724	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1	22415331	FTTLRJVIBDWOLH-UHFFFAOYSA-N	408.486	6.049	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1cccc(Cl)c1C	22728159	LUNQSTBCYYVWNQ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	56744626	BXRTWCGPFVKYPB-UHFFFAOYSA-N	414.490	5.624	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N2CCCC[C@H]2CC)nnc1-c1ccc(Cl)cc1	104577952	FXBSLEQJTKQJMQ-CRAIPNDOSA-N	418.994	5.056	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(C)c1	111198237	FCKOLFLGOWROTJ-LJQANCHMSA-N	423.582	5.551	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	147851226	MJMUFQUQWQWSNK-HXUWFJFHSA-N	409.470	5.237	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2Br)cc1	303102339	IFCUKHSHSSRCBR-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC(F)F	303634910	ZJGQFINKACYIND-UHFFFAOYSA-N	410.445	5.872	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)cc2)c1	303642907	HXHBPYKRUYDIEA-WOJBJXKFSA-N	404.416	5.158	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1	303832586	HOFZJNDIEMBLAV-QZTJIDSGSA-N	404.388	5.010	30	20	HKED	
C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ncc(Br)cc1F	427524780	LTGYARGMCQTJCF-AWEZNQCLSA-N	410.290	5.373	30	20	HKED	
COC1CCC(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	429095159	GQTOFHOKFRPYJM-VFIGECHUSA-N	411.933	5.322	30	20	HKED	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(F)c(C#N)c1	430720850	NKZRJIGQJKTGOK-ZIAGYGMSSA-N	413.880	5.006	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433171313	DILYZYTZFZWTAZ-RUZDIDTESA-N	413.521	6.131	30	20	HKED	
N#CCCn1cc(CN2C[C@H](c3ccccc3)c3ccccc32)c(-c2ccncc2)n1	434985541	BJUXVZDHZXHDGG-XMMPIXPASA-N	405.505	5.011	30	20	HKED	
CC(C)(C#N)CCCC[S@](=O)Cc1coc(-c2ccc(Br)cc2)n1	436108477	WTGIPJUWFJYGKL-DEOSSOPVSA-N	409.349	5.073	30	20	HKED	
CCC[C@@]1(C)CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	437899996	YCQCAPMYAYPGNL-VWLOTQADSA-N	405.542	5.766	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccncc1	437964746	SOFANZWCQGECBN-JOCHJYFZSA-N	400.482	5.114	30	20	HKED	
CCCc1c(NC(=O)N(Cc2cccs2)C(C)C)cnn1-c1cccc(C#N)c1	439698198	VKXMUKGNJATOEY-UHFFFAOYSA-N	407.543	5.200	30	20	HKED	
N#CC1CCC(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	441029005	AGZBPAQAALJZRC-ZUEPYMLJSA-N	421.385	5.328	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1	445173714	NMMVUQXLVBDQIA-FGTMMUONSA-N	415.603	5.131	30	20	HKED	
COc1cccc([C@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2Cl)c1	446040212	WHGWQKXAALCIGL-NRFANRHFSA-N	412.823	5.018	30	20	HKED	
Cc1cc2c(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)ncnc2s1	447328610	AQHALYAVMRFZDW-UHFFFAOYSA-N	416.959	5.001	30	20	HKED	
CO[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(Cl)cc1	460317040	LOONLCRRXWGSQP-HSZRJFAPSA-N	420.896	5.316	30	20	HKED	
C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H]1c1ccc(Br)s1	460949070	LCUIQSHMIBTMGH-AWEZNQCLSA-N	419.348	5.280	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1	467152773	RTGZNEIJHXOWMH-JOCHJYFZSA-N	417.465	5.459	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@]2(C)Cc2ccccc2)cc1	467170640	IPDFAOYUYPGUOJ-AREMUKBSSA-N	417.553	5.130	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	467346054	ISLZRJDIFMYKOS-KRWDZBQOSA-N	411.477	5.160	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C	467557810	OAKCKJLGMQVFCE-UONOGXRCSA-N	401.482	5.510	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)sc1Cl	468852553	FELHTSKGCAGEGJ-LBPRGKRZSA-N	408.354	5.811	30	20	HKED	
Cc1nc(CC2CC2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	475021813	CYXYDFLZQIYRSW-HNNXBMFYSA-N	413.955	5.671	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)cc1Cl	475342906	MLGFKUCBQGVNRG-NHCUHLMSSA-N	400.865	5.304	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC	475578165	MQAGGGLQQNBAAM-QHCPKHFHSA-N	416.569	6.277	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1	476124323	YIYUQYIOABRMPL-UHFFFAOYSA-N	404.554	5.597	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1	476373099	IBDVNTVAZOGMPR-FQEVSTJZSA-N	416.546	6.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1	476800908	YJXNCVZGWHHNSG-UHFFFAOYSA-N	407.554	6.175	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1C1CC1	477556833	ANSBBSJJCAYOOZ-ZDUSSCGKSA-N	400.935	5.812	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1	479793316	CBIUYJVDZXCEOK-HNNXBMFYSA-N	405.420	5.138	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	480563223	LAKUYPQKIRHMLM-AWEZNQCLSA-N	405.976	6.016	30	20	HKED	
CC(C)C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccs1	484131847	KTNIKMAJVVSRHU-LJQANCHMSA-N	415.534	5.099	30	20	HKED	
COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N[C@@H](C)CC#N)cc1	484799336	QETKOHDXZCAZQV-PJCCXHTNSA-N	411.505	5.152	30	20	HKED	
N#CCCC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1	487450003	SRRJTOUBCSWVEF-LJQANCHMSA-N	417.372	5.234	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)[nH]c1-c1ccccc1	488228217	CPDCHGKQZRFTPL-OAHLLOKOSA-N	422.579	5.368	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c(Cl)c1	494616291	YBVWOCHIYYPAMR-UHFFFAOYSA-N	401.278	5.059	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC4(CCCC4)C3)s2)c(C(F)(F)F)c1	496315893	UNBDUGIXBGMXBJ-UHFFFAOYSA-N	420.460	5.032	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1	500299496	TXOZFDQUROPWEA-LEWJYISDSA-N	411.343	5.109	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(Br)s2)n1)c1ccc(C#N)cc1	510396697	RDPQMDSPRYMEFX-UHFFFAOYSA-N	418.341	5.172	30	20	HKED	
Cn1cc(CN2CCC([C@H](F)c3ccccc3F)CC2)c(-c2ccc(C#N)cc2)n1	511088461	CFIHKMDWGKFQLB-QHCPKHFHSA-N	406.480	5.021	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(F)cccc1F	511583576	AKETZZYZVTUALI-INIZCTEOSA-N	421.447	5.493	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1NC(=O)c1ccco1	514471873	KDYXCKDYJOJLRH-ZDUSSCGKSA-N	419.506	5.151	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1sc(C)c(C)c1C#N	515322617	HKUOCNAUMJQHMY-UHFFFAOYSA-N	411.530	5.941	30	20	HKED	
COc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1	515366055	HUYJIPSGLSYLOA-JOCHJYFZSA-N	410.477	5.002	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCSCc1ccccc1F	518169506	QTDWNMYRORNTCG-HNNXBMFYSA-N	403.548	5.132	30	20	HKED	
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518256135	NJCAPLNOKAFKFL-UHFFFAOYSA-N	415.449	5.133	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc(-c2ccncc2)cs1	518641981	GGRWCCHIQLGDBA-IBGZPJMESA-N	417.515	5.336	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1	518648929	CJOJXNPGCWPMCV-UHFFFAOYSA-N	418.478	5.060	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(Cl)c1Cl	519485399	YHFYYKLMVNGULX-ZDUSSCGKSA-N	406.250	5.111	30	20	HKED	
COc1ccc(CN2CCC([C@@H](F)c3ccccc3F)CC2)cc1OCCCC#N	519535588	ANLCAYGFWRHGAM-XMMPIXPASA-N	414.496	5.440	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1	520098174	OGZVHEDHPPMOGX-UHFFFAOYSA-N	423.925	5.058	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2oc3ccccc3c2CSc2cccs2)s1	520638978	LQDHABOYPMSKIR-UHFFFAOYSA-N	424.572	6.534	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	521749145	KQBKMHPFCOEPIU-INIZCTEOSA-N	419.554	5.226	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCSCc1ccccc1C#N	521809316	AEAJFIKZVXGLIY-MRXNPFEDSA-N	410.568	5.007	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1	522830703	QWRSXVXKAAUDQG-OAHLLOKOSA-N	406.898	5.447	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](c2ccccc2)CC1	533263089	JQARFALNEVWDOC-TZIWHRDSSA-N	407.583	5.289	30	20	HKED	
CCCN(C(=O)c1cccs1)C1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1	535335267	FGGORROHDFMJCL-UHFFFAOYSA-N	421.488	5.160	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(OCc2ccccn2)c1	538671972	NQYFODCHZOSKKU-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1	538687008	JZFLLMBLALVJKA-UHFFFAOYSA-N	408.929	5.145	30	20	HKED	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1	542759755	FFYTXJPMSPGOOK-MPCDZSKCSA-N	410.521	5.474	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(Cl)c1	542838338	DGVRXFQXEDKCCO-AWEZNQCLSA-N	419.737	5.238	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543852220	MNMPBZUWEIUCSO-QGZVFWFLSA-N	424.504	5.456	30	20	HKED	
N#CCCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(F)cc1	558137693	GCSCPWSHLBEDLX-UHFFFAOYSA-N	403.388	5.189	30	20	HKED	
COc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1OC	561243117	WFXMGTMWWKJYQL-QGZVFWFLSA-N	400.478	5.042	30	20	HKED	
CN(C(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1	565801589	QWHATNALZANGPX-CALCHBBNSA-N	418.484	5.903	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	569387509	YBCQOVPAGLCFJZ-OAHLLOKOSA-N	406.882	5.339	30	20	HKED	
F[C@@H](c1ccc(C(F)(F)F)cc1)c1nc(-c2ccnc(OCC(F)(F)F)c2)no1	570432205	HZOUBHDYYFGBQE-ZDUSSCGKSA-N	421.272	5.150	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccccn1	587988662	ATISEYXMOHCRBM-GOSISDBHSA-N	402.450	5.749	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1OCC	592973374	FCIWJEOEYATRBT-MRXNPFEDSA-N	412.486	5.503	30	20	HKED	
CC(C)OCc1cccc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	604455256	CABMQRJRHGHDND-UHFFFAOYSA-N	406.511	5.175	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3ccc(Cl)cc3s2)c1	608802630	KMFRXWHALQYMII-UHFFFAOYSA-N	409.854	5.246	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	609205618	KMJNOXBRIWZWPE-OAHLLOKOSA-N	422.529	5.942	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	609385932	UHFSTVJSJMUKHX-UHFFFAOYSA-N	413.852	5.415	30	20	HKED	
CC(C)c1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)on1	609626624	NKDZOJBRJDIFQD-LJQANCHMSA-N	408.889	5.429	30	20	HKED	
COc1cc(CSCc2ccn(C(C)C)n2)ccc1OCc1cccc(C#N)c1	609741210	UXZXLNQHXVEPCR-UHFFFAOYSA-N	407.539	5.357	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1	609757567	JYRNQHGYHXFQFA-OAQYLSRUSA-N	411.933	5.006	30	20	HKED	
C[C@@H]1SCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@H]1c1ccccc1	609819977	WSTPOEOXLRPFAG-GAJHUEQPSA-N	418.518	5.049	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccc1	613407517	WSDHWCHLWNXXEO-HNNXBMFYSA-N	406.898	5.188	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3c(Cl)ccc4cccnc34)ccc21	615728672	NYUKSGKXHCXXTA-UHFFFAOYSA-N	404.901	5.083	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1	669727823	UZKGSKJEXHLAKL-UHFFFAOYSA-N	407.489	5.696	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(Cl)ccc2N2CCCCC2)cc1Cl	726440008	PLBHDLZNUAJYHB-UHFFFAOYSA-N	405.354	5.664	30	20	HKED	
CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCC1	729375265	BLBZCKWFTDAYLL-UHFFFAOYSA-N	421.497	5.127	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc34)CC2)c1	729416592	QLWJIOJOWONDNL-UHFFFAOYSA-N	423.472	5.050	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cc2ccccc2nc1N1CCOCC1	730435042	WEXQVLFYRYDKEB-KTKRTIGZSA-N	421.566	5.030	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	732497034	KBGOQYUYPSIFMK-HNAYVOBHSA-N	403.532	5.286	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)o1	732764235	NHURLCXUXLFSIP-KSSFIOAISA-N	410.543	5.042	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(COc3ccc(C)cc3C)o2)c1	733774211	CXXDITSPGBMGHP-HXUWFJFHSA-N	418.493	5.086	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1	735981948	LKPTWJTWTMXDJS-UHFFFAOYSA-N	418.362	5.437	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)/C=C/c3nc4ccccc4s3)c2)s1	739599548	NFAYCDMURCBYHQ-ZHACJKMWSA-N	401.516	5.226	30	20	HKED	
CC(=NOCc1ccc(OCC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	742352768	CCCTZVHMCMOYAG-UHFFFAOYSA-N	413.346	5.313	30	20	HKED	
CCOc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1	743538493	MBBNOHWCHTYUIZ-YPKPFQOOSA-N	405.881	5.887	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2[C@@H](CC)c2ccccc2)c1=S	746713222	STJFHVOXLOZCLY-FCHUYYIVSA-N	419.598	5.278	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1	748843371	VBJGOBSLLKGWSC-QHCPKHFHSA-N	419.488	5.257	30	20	HKED	
Cc1c(C(=O)/C=C/c2cnc(-c3cccs3)s2)cnn1-c1ccc(C#N)cc1	751512903	HOFWZSDJWSLLGA-CMDGGOBGSA-N	402.504	5.134	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	752638138	XBOALEXSHORSSX-ZNZIZOMTSA-N	420.516	5.646	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cccc1-c1ccccn1	754875713	FEMUPZRPAIOVJF-RUZDIDTESA-N	403.485	5.965	30	20	HKED	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNC2CCOCC2)cc1	757589040	CLFAITGSYRKDQA-UHFFFAOYSA-N	420.582	5.144	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(OC(C)(C)C)CC2)c1=S	759136605	PGKAOAJBRLDVPZ-UHFFFAOYSA-N	421.010	5.157	30	20	HKED	
N#Cc1cc(NC(=O)C2(Sc3ccccc3)CCCC2)c(Cl)c([N+](=O)[O-])c1	764307589	UGLBEIFAUKQHCC-UHFFFAOYSA-N	401.875	5.163	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCc1ccccc1Br	766236022	BZKKNVDULDGNDM-QGZVFWFLSA-N	423.310	5.153	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc([C@@H]3CCCOC3)c2)cc1	766622274	FKHCLQZWLNSZHF-LXBDKUERSA-N	404.510	5.055	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1	768873725	VRGJJDHSURHBLN-IEBWSBKVSA-N	403.404	5.066	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1Cl	771746099	QQFCOSMJEYZOOO-UHFFFAOYSA-N	418.671	5.660	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)Cc1ccc(Cl)cc1	772642587	YUPGYVBPFMXNPX-BBRMVZONSA-N	401.844	5.530	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccn1[C@@H](C)Cc1ccccc1	773760161	LEAFFYXPRLCHSJ-UWJYYQICSA-N	409.489	5.287	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1	774118518	JGWPOGWQJSBTLW-DHZHZOJOSA-N	402.821	5.049	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(C2CCCCC2)nc1C	775227029	MEAOLFDFUCIVDG-LJQANCHMSA-N	423.582	5.585	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1nc(-c2cc(Cl)ccc2Cl)cs1	779988162	APMOUALIAAUYLT-GFCCVEGCSA-N	404.322	6.020	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1cccc(OCC#N)c1)[C@@H](C1CCCCC1)C2	787403232	OFLBCUXVZITMTQ-XMMPIXPASA-N	419.525	5.137	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl	789458176	ZCJBGBCYJQADFO-SPLOXXLWSA-N	404.913	5.575	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2Cl)cc1	792101284	GLCMCEMPCQJPAL-FQEVSTJZSA-N	414.896	5.240	30	20	HKED	
O=C(/C(=C/c1cnnn1Cc1ccccc1)c1nc2ccccc2s1)c1ccccc1	792860771	XYNZTPZDJHOTBP-QNGOZBTKSA-N	422.513	5.360	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C#N)ccc1O	797748153	HMWCDEMXHYSRND-UHFFFAOYSA-N	416.264	5.601	30	20	HKED	
Cc1nn(C(C)C)cc1/C=C/C(=O)c1sc(/C=C/c2cn(C(C)C)nc2C)nc1C	798370237	HKZIYRCEQBSMFL-GFULKKFKSA-N	423.586	5.690	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1	801775516	MNUJBWNXAPVFNP-UHFFFAOYSA-N	407.518	5.019	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	805856924	HMFYVMOSMRAFOW-IBGZPJMESA-N	414.486	5.486	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccncc1	806820501	XLIBDMBHORGLJN-HSZRJFAPSA-N	403.551	5.140	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	808978796	ONFYMSBLWFAEFU-JTQLQIEISA-N	415.318	5.219	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	815271499	CMNKUPTUDFEQGL-UHFFFAOYSA-N	418.827	5.724	30	20	HKED	
Cc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc(C)c1OCc1cccnc1	817319129	KOXRRZQOKWTIRZ-DEOSSOPVSA-N	413.521	5.442	30	20	HKED	
Cc1c(C(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)sc2ccc(C#N)cc12	858020480	PGVHXSFDYRFADS-IBGZPJMESA-N	417.534	5.037	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccccc1OCc1cccnc1	915938990	GOQCQIAZOYPWBN-UHFFFAOYSA-N	416.359	5.034	30	20	HKED	
N#Cc1cccc(OCC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)c1	916094021	CLAHTDZGWLBXRR-UHFFFAOYSA-N	419.893	5.565	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCCC2)nc2ccccc21	916844787	BWPJWTIVTYYLKT-KRWDZBQOSA-N	422.326	5.024	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C	916907957	OLDFMYMFDORGQU-GCJKJVERSA-N	420.553	5.358	30	20	HKED	
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc2ccccc12	916915705	NYTGQPALQPSJRR-RUZDIDTESA-N	418.496	5.709	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	917096944	LEHKIUAZRVNZQH-DOMZBBRYSA-N	418.349	5.472	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	917509750	PAXSQYDADSZMGW-AWEZNQCLSA-N	416.289	5.078	30	20	HKED	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806231	IXVGNZFERGRDLI-GUYCJALGSA-N	424.472	5.221	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2C)no1	921035482	UMZPOGOLRHQYTJ-UHFFFAOYSA-N	412.449	5.307	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ccccc5c4)CCC3)cc2)C1	1785807497	TVUGVFAWQYKLBJ-UHFFFAOYSA-N	424.544	5.483	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1	1789680776	YRHNESQFMKAHGK-LJQANCHMSA-N	423.944	5.251	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1	1791589328	YEUCXPTVSXJJAB-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)[nH]n1	1814440651	YFFPCYFLNXVQED-MRXNPFEDSA-N	424.536	5.076	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)c(F)c2)c1	11083160	GGXOCIYKVLVXJB-UHFFFAOYSA-O	419.545	5.270	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O	20066587	KPTZEXTWRJCAOU-ZDUSSCGKSA-N	424.913	5.139	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cc(C)ccc2C)cc1	22729714	DPPCJHDZQJJAMZ-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1	23603580	PDLKCKGJNXXPFH-UHFFFAOYSA-O	420.602	5.656	30	20	HKED	
C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc(C#N)c(Cl)c1	25216989	PPGNLXWUSRXTOL-PIGZYNQJSA-N	406.338	5.019	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1OC	25839703	LAKZSZRZFOTXAH-UHFFFAOYSA-N	421.522	5.189	30	20	HKED	
CCSc1nnc(/N=C(\O)c2sc3nc(C(F)(F)F)ccc3c2C)s1	29783963	QARNUSKQJZVRIK-UHFFFAOYSA-N	404.464	5.223	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	46879945	IGENAADSYDMILG-KRWDZBQOSA-N	415.493	5.585	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(-c2ccco2)s1	53208420	DPLDCMWYDSFXLZ-UHFFFAOYSA-N	404.476	5.073	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12	64455990	HUSVTDGPMNSKJN-UHFFFAOYSA-N	413.452	5.426	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)cc2Cl)cs1)c1cccc(C)c1C	104999269	FWHUIDQFGKAINO-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(F)cccc4s3)n2)cc1	108977881	JPMVLADVGOBHGF-OAHLLOKOSA-N	408.479	5.663	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1	236666248	COHHNZZQGRTVSE-UHFFFAOYSA-N	412.493	5.057	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1	303832587	HOFZJNDIEMBLAV-ROUUACIJSA-N	404.388	5.010	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3Cl)c2C#N)C1	322418820	YJDHOBMEBBWWNF-SECBINFHSA-N	409.736	5.413	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)nc1-c1ccccc1	427002404	OPDITINUIDEVTH-OAQYLSRUSA-N	414.509	5.112	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	429116192	QDRCQTYRCMTLDM-OAQYLSRUSA-N	408.933	5.789	30	20	HKED	
C=CCN(CCc1ccccc1)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1	430055588	DILXBIBRLJESNR-UHFFFAOYSA-N	419.594	5.172	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2)cn1	430612695	TVJDPWIYSPNJNR-IBGZPJMESA-N	405.523	5.213	30	20	HKED	
C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](CCCC#N)c1ccccc1	431870607	TWZXYURHRXAQOE-OXQOHEQNSA-N	414.347	5.114	30	20	HKED	
COc1ccc(Br)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	432912142	ARTLAPLYPAKJCF-INIZCTEOSA-N	402.292	5.014	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433000940	XVZSLQYZIZBJRG-RUZDIDTESA-N	413.521	6.131	30	20	HKED	
O=C(Nc1cccc(CCC(F)(F)F)c1)N[C@@H](c1cc(F)ccc1F)C(F)F	433576145	QZQKIFWAWCVUDZ-HNNXBMFYSA-N	408.317	5.588	30	20	HKED	
CC(C)(C#N)CCCCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1	436092413	XGNAXNOHIYWJRB-UHFFFAOYSA-N	421.566	5.174	30	20	HKED	
N#Cc1cccnc1OC1CCC(NC2CC(c3ccc(C(F)(F)F)cc3)C2)CC1	437109953	KIHJYYHYFMCXDV-UHFFFAOYSA-N	415.459	5.198	30	20	HKED	
CC(C)c1noc2ncc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc12	437458903	HDAYQPJBDGJTJU-UHFFFAOYSA-N	416.412	5.402	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](CSc2ccccc2)C1	438051243	QKVMLSLECXILES-QZTJIDSGSA-N	411.596	5.584	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N(C)C[C@@H](C)C#N	438625694	QMRIDCPETGVBHF-HNNXBMFYSA-N	407.493	5.355	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2OCCc3ccccc32)cc1Cl	440782287	JTVMGSXPMDKMTI-JTHBVZDNSA-N	402.881	5.248	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	445829870	MOHOCGHJSFHDJQ-CYBMUJFWSA-N	422.447	5.767	30	20	HKED	
N#C[C@@H]1N(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CCC[C@]12CCCCO2	448278973	QJSBSFNKVLJSQS-AZUAARDMSA-N	422.381	5.544	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(C(F)F)cc2)cc1	462260077	FJVVRBNCEKDWDB-UHFFFAOYSA-N	423.419	5.618	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(Cl)c(Cl)c1	463205904	VWUSVXJMVLEZHN-GFCCVEGCSA-N	411.379	6.118	30	20	HKED	
CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	464927900	DDJFREZJCUFKLT-UHFFFAOYSA-N	421.403	5.148	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	466833464	GDAAQAXTYWUHRB-ZDUSSCGKSA-N	403.891	5.021	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1	467332116	NXQPSGKITNOXJA-JOCHJYFZSA-N	417.465	5.459	30	20	HKED	
C=CCOc1ccc(CN(C(=O)CCc2nnc(C3CCCC3)o2)C(C)(C)C)cc1	467873901	ZIRQDVRDQWHRMW-UHFFFAOYSA-N	411.546	5.052	30	20	HKED	
C=CCCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	468379356	LSCYRNUYCUWFRR-VKAVYKQESA-N	407.495	5.218	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CSCc1ccc(C#N)cc1	468808551	CIAHCCHFKYPONI-QGZVFWFLSA-N	421.591	5.443	30	20	HKED	
CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1	469311890	YFJYHXLFAMRDAB-UHFFFAOYSA-N	419.525	5.010	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Cl)cc1F	470473696	AWWIHYOBIWDANT-UHFFFAOYSA-N	416.827	6.064	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NCc2nnc(-c3cccc(C#N)c3)o2)cc1	471682170	FPRVESPLXFWFIU-QGZVFWFLSA-N	412.518	6.074	30	20	HKED	
Cc1nc(NC(=O)c2coc3c(C)cc(Br)cc23)sc1SCC#N	471758443	LKVYVKLPHBPVBJ-UHFFFAOYSA-N	422.329	5.137	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1	473088179	LJMZGMGUEZRKHI-DNQXCXABSA-N	418.537	5.127	30	20	HKED	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)C[C@H](CC#N)c1ccccc1	474969013	PQMQKOREPHQVQW-JQVVWYNYSA-N	417.553	5.139	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	477482564	LMDWEQSFZNJHGT-GOSISDBHSA-N	403.551	6.345	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(-c4csc(C(F)(F)F)n4)cc3)CC2)c1	477677863	UDOVWWONWPBWMP-UHFFFAOYSA-N	413.424	5.371	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nccc2ccccc12	483200503	VMWRJIUHTCBYIB-LJQANCHMSA-N	402.375	5.809	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1ccccc1Cl	483221881	AQABNGYRYSPFIH-SFHVURJKSA-N	414.896	5.687	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccccc1	483870259	MTOUHWLLRWMFHY-JOCHJYFZSA-N	421.504	5.019	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2cc(C#N)ccc2n1CC	483963591	NLMLXAXHLGEAMG-UHFFFAOYSA-N	419.872	5.051	30	20	HKED	
CCn1ncc2c(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc(-c3ccccc3)nc21	487345787	NLQABNVLMCSTLV-QHCPKHFHSA-N	423.520	5.283	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccccc1	487802722	SYZLRNNOSNEPNA-LJQANCHMSA-N	404.489	5.109	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	489522407	QQQDEORPKSWBKL-XLIONFOSSA-N	418.006	5.010	30	20	HKED	
C=CCn1cccc1C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21	490028605	UPIQYOUMCPKVJG-UHFFFAOYSA-N	418.472	5.050	30	20	HKED	
C=CCN(C(=O)CCCCc1nc2ccccc2s1)c1nc2c(s1)CCCC2	492505918	CGCSYSFAFVHYQB-UHFFFAOYSA-N	411.596	5.564	30	20	HKED	
CCN(CC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1)[C@H](C)c1ccc(C#N)cc1	497618386	OAOLWODHYRQQPR-CLOONOSVSA-N	417.578	5.217	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	498624152	QBTPIJPTERFULO-HXUWFJFHSA-N	417.557	5.375	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1noc2c1CCCC2)c1ccc(C(F)(F)F)cc1	500101317	WIYSLCAZKSRADZ-KRWDZBQOSA-N	407.436	5.079	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N[C@@H](CC(F)(F)F)c1ccccc1	504907537	FPFGXXUXGOLZRG-AWEZNQCLSA-N	424.316	5.582	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1	505207528	REAPOMCHMMYMIP-UHFFFAOYSA-N	406.555	5.029	30	20	HKED	
Cn1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c(-c2ccccc2Cl)n1	505327876	ZVIFEXBHNLGJKD-INIZCTEOSA-N	419.699	5.042	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccccc1F	505928599	QUVULFRXAGKXLJ-FQEVSTJZSA-N	417.465	5.254	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	505964278	ALGHADVQRSSWMS-ZACQAIPSSA-N	412.333	5.209	30	20	HKED	
N#CC1(CCCSCc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCOCC1	507725707	RCIYSQWCMPSPFS-UHFFFAOYSA-N	411.449	5.089	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1	508081531	QFEXSHWBHJQTBT-UHFFFAOYSA-N	407.543	5.136	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](c2nccs2)C1	508866454	ZYWZBWQNWTXCDR-RBUKOAKNSA-N	423.586	5.061	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(Cl)cc2)cc1	511412650	FPAKBDQSSOGJEA-UHFFFAOYSA-N	419.912	5.349	30	20	HKED	
N#CC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1	512710435	SJTITGPORFHTGN-UHFFFAOYSA-N	421.342	5.037	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12	513672109	OBSVWQKFKFSXQB-MRXNPFEDSA-N	414.515	5.495	30	20	HKED	
CC(C)N(Cc1cccs1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	513996944	NCZOSJGZFTZRSH-UHFFFAOYSA-N	418.522	5.315	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	515628297	HGQUILDXOYNBBF-UHFFFAOYSA-N	406.482	5.321	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F	517892057	JLPIDCPYIYGFAS-UHFFFAOYSA-N	410.411	5.852	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3cccc(C(F)(F)F)c3)n2)cc1	518907036	IRDMNEMOIBWXBJ-IRXDYDNUSA-N	413.424	5.443	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1Oc1cccc(C)c1	519069427	WIYRJHNBAQBVLQ-UHFFFAOYSA-N	406.507	5.002	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1cc(Br)cs1	519515662	QHVAKVAAFDJFEB-LBPRGKRZSA-N	409.374	5.476	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)c2)cc1	522531551	UUIIELAJVBVUFE-LEWJYISDSA-N	418.443	5.352	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(-c3nnco3)c2)c1	522572447	XWNQNLXDVCBYSN-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C#N)c3)c3cnn(C(C)C)c3n2)cc1	524460357	JBNISWGQYHMXBK-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#CCc1ccc(NC(=O)CNc2cc(Cl)ccc2SCC(F)(F)F)cc1	524839438	MDOLSOHFGWACEL-UHFFFAOYSA-N	413.852	5.111	30	20	HKED	
Cc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C	532483737	UDZKLLBOVNZAKD-DENIHFKCSA-N	407.583	5.473	30	20	HKED	
CN(C)Cc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	533253262	UVSDDCUEWLPUAV-UHFFFAOYSA-N	408.361	5.215	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	539754749	JHUQVVPELHINMV-STQMWFEESA-N	424.492	5.199	30	20	HKED	
CN(C(=O)c1ccccc1Oc1ccccc1C#N)c1ccc(-c2ccccc2)nn1	539761402	OUMKGRZRMDDARO-UHFFFAOYSA-N	406.445	5.084	30	20	HKED	
COc1ccc([C@H](NCc2cccc(C#N)c2F)c2ccccc2Cl)c(OC)c1	541293209	ZBOJLYQQPZIXFZ-HSZRJFAPSA-N	410.876	5.247	30	20	HKED	
Cc1c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1CC(C)C	542028117	NGQDYBUGWNQCSX-KRWDZBQOSA-N	401.514	5.269	30	20	HKED	
Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	543362928	AKTKRRGEGSKGHQ-UHFFFAOYSA-N	415.497	5.237	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)N[C@H](C#N)c3cccc(Br)c3)ccc2c1	545317188	ILRYAJZGKKBRLD-LHSJRXKWSA-N	423.310	5.095	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2	556608627	JJURKYWZSVRTAJ-GOSISDBHSA-N	413.493	5.142	30	20	HKED	
N#C[C@H](C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)c1nc2ccccc2[nH]1	558176122	ZQGYTZOMXCVJIM-QGZVFWFLSA-N	411.852	5.045	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1	559169895	VHUCOJIQVBEPLH-HXUWFJFHSA-N	405.571	5.060	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(OC2CCCCC2)CC1	561205418	AVBKZCPDDQDAFE-QGZVFWFLSA-N	401.576	5.284	30	20	HKED	
Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)sc2cc(F)ccc12	561614546	NSWQZZGKJNAFJK-UHFFFAOYSA-N	421.497	5.184	30	20	HKED	
COc1cccc(-c2nc(COc3c(Br)cccc3CC#N)cs2)c1	563878691	ULUOFXNGMCMPQC-UHFFFAOYSA-N	415.312	5.226	30	20	HKED	
C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]1c1cccc(OC)c1	565076187	IWSHRFGQVGGSKI-HSZRJFAPSA-N	411.509	5.029	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	573097439	GRPKCYQTMQKRSS-LIRRHRJNSA-N	424.957	5.686	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(SCc4ccccc4)cn3)CC2)c1	577637926	CLQMXPIGIKRGED-UHFFFAOYSA-N	403.482	5.055	30	20	HKED	
N#CCCCCCC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	588895232	DKKHKBQIQOMELZ-UHFFFAOYSA-N	418.419	5.762	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2)CC1	591561679	DMUTYYKYXYNQJT-VXGBXAGGSA-N	412.349	5.024	30	20	HKED	
O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C1(C(F)(F)F)CC1	603457603	HWYIJHHWWRAFIQ-UHFFFAOYSA-N	408.273	5.313	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cs2)cc1	603527582	RWUUAGAKFWOMNN-UHFFFAOYSA-N	419.550	5.060	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccn(-c2cccc(C(F)(F)F)c2)n1	606189495	CANMAMYOXBFCPU-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(C(F)(F)F)cc1	609398231	LWCUBAOUKVBWAH-AWEZNQCLSA-N	407.461	5.321	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccccc1C(F)(F)F	609435176	WFETYBQUYRQDHT-CQSZACIVSA-N	423.460	5.300	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cccc(C)c2C)cc1C	609667987	CEUIQTIQZWHNGC-FQEVSTJZSA-N	400.526	5.188	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	609990696	UNJDMMUXRYHKNS-UHFFFAOYSA-N	412.493	5.539	30	20	HKED	
CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	610016706	NIZYBZPCRKBDOF-VGSWGCGISA-N	404.514	5.243	30	20	HKED	
CS[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	610040405	OZGJCLLTRXLOJW-RBBKRZOGSA-N	406.938	6.038	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CSc2ccc(C(C)C)cc2)c1C	610053530	AILBBUPTCILJSS-UHFFFAOYSA-N	404.539	5.215	30	20	HKED	
N#Cc1cc(CSCc2csc(-c3ccc(Br)cc3)n2)ccn1	610954144	SGJRXDIUGMMTKW-UHFFFAOYSA-N	402.342	5.273	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c2)c(C)c1	614439796	KSKGEJDVNBAVNN-FQEVSTJZSA-N	412.514	6.227	30	20	HKED	
C[C@H](CC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc(C(F)(F)F)cc1	622566638	TTXRFMSEDCFJPM-BMLIUANNSA-N	407.329	5.600	30	20	HKED	
C=CCn1c(SCc2ccc3ccccc3c2)nnc1[C@H]1COc2ccccc2O1	671801148	PSNOOOXXRBJWAJ-JOCHJYFZSA-N	415.518	5.422	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674442177	GAKFYZHMBALKSY-QNWHQSFQSA-N	419.287	5.008	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1	726469653	QAEHCWZKAOXTBA-UHFFFAOYSA-N	409.946	5.389	30	20	HKED	
C[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)CC(C)(C)C1	727628028	GAWUCCDVNLZNRG-FMKPAKJESA-N	411.571	5.304	30	20	HKED	
N#CCOc1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1	727675748	FUHZZGKRUMLJTB-UHFFFAOYSA-N	410.832	5.104	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C2CC2)no1	727934330	FLEXRTUUONTUHJ-SFTDATJTSA-N	415.497	5.121	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)c1ccccc1OCC#N	728000152	WFIKVJWVHJZNDP-UHFFFAOYSA-N	406.869	5.382	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1	730214235	YARDDUOSQBAUKJ-UHFFFAOYSA-N	412.898	5.471	30	20	HKED	
CN(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)n1	733680095	VKAAWZGCPZJIKA-AWEZNQCLSA-N	417.321	5.068	30	20	HKED	
Cc1ncccc1/C=C1/CN([C@@H]2CCCC[C@@H]2C)C/C(=C/c2cccnc2C)C1=O	734094368	CNKRMSKMCAYJEI-GMWQLKEDSA-N	401.554	5.024	30	20	HKED	
O=C(/C=C/c1nccn1Cc1ccccc1)c1ccc2ccccc2c1OC(F)F	734096234	LIPBASDABOBKTD-OUKQBFOZSA-N	404.416	5.582	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c(Cl)c1	740823357	SMIQCSPTEVHYSG-KRWDZBQOSA-N	420.296	5.335	30	20	HKED	
N#CCn1cc(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)cn1	741680014	SQXQHBBGFVYULF-UHFFFAOYSA-N	417.321	5.258	30	20	HKED	
O=C(/C=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1c(Cl)nc2sccn12	743055682	ITCZWRIJTRZCFA-KQIUPUNMSA-N	423.321	5.157	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1ccc(OC(F)F)cc1	745723520	ANEKXKSNNINANZ-UHFFFAOYSA-N	409.461	5.563	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1cccc(C(F)(F)F)c1	745723970	HPDXCLLFAXCQOS-UHFFFAOYSA-N	411.452	5.981	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccncc1	745827176	HCYLVEYBCHUORI-HXUWFJFHSA-N	409.436	5.269	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl)c1ccncc1	745827755	NECUFBJHDXIBAS-PKTZIBPZSA-N	421.928	5.450	30	20	HKED	
Cc1ccc(-c2nn(CN(C)C[C@@H](C)C#N)c(=S)n2-c2ccc(Cl)cc2)cc1	746706958	SELIUVDHRPLUND-INIZCTEOSA-N	411.962	5.081	30	20	HKED	
CN(C(=O)C(F)(F)c1nccs1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	756747124	JVOBDAGIGJLSNH-SNVBAGLBSA-N	418.309	5.016	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1ccc(CC#N)cc1)C(F)(F)F	759887093	CERHXEWHOVHKTI-HXUWFJFHSA-N	413.399	5.016	30	20	HKED	
COC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	762557692	MFOYNFOVLFYTFA-UHFFFAOYSA-N	420.465	5.029	30	20	HKED	
Fc1cccc2c1SCC[C@@H]2N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	764775022	SQSGMBMQMLYXEA-OXIWPEFWSA-N	401.391	5.862	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F	770045626	OETRKBKFWYXUSO-INIZCTEOSA-N	407.194	5.428	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(C(C)(C)O)cc1	775562810	RAGGEKHICFDREU-UHFFFAOYSA-N	415.493	5.208	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSCc1ccc(C#N)cc1	777822665	JNUNKQFNKHEOES-LJQANCHMSA-N	416.546	5.287	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1csc(COc2ccc(Cl)cc2)n1	779609760	WNPKWBURSTXPLY-UHFFFAOYSA-N	403.866	5.029	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)c3ccccc3n2)c(C)c1	780305851	OLETYPBPFQJWTO-HSZRJFAPSA-N	419.484	5.480	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	781448135	MJLKKCYKXHHSEV-VQIMIIECSA-N	420.534	5.191	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccccc1	785489093	SAECJJSYEGXHKV-WMZHIEFXSA-N	418.500	5.491	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1	786472899	HLFFOYJTBRFVMV-PHDIDXHHSA-N	416.717	5.219	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1	787034578	ALRUNULONYJNDX-IEBWSBKVSA-N	406.869	5.190	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1	787301114	CALSDEUEAOMLJT-NRFANRHFSA-N	412.533	5.128	30	20	HKED	
CCOC1CC(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	789349418	XOZSHAJBRDEPMC-HGMXIMQMSA-N	409.338	5.498	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(F)cc2)n1)c1nc(Br)ccc1F	794973608	XFOPMXHBCQRALL-ALCCZGGFSA-N	407.239	5.142	30	20	HKED	
N#CC[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	796634114	RBCUQIAPKDUISS-IRLDBZIGSA-N	423.472	5.214	30	20	HKED	
O=C(/C=C/Sc1cc(F)ccc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	797836887	AYEBJWFIEROWRI-LDYOUVJNSA-N	419.337	5.160	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(C)c(C#N)c3)C2)n1	799374745	MCKILMBXXRMVIH-GOSISDBHSA-N	417.534	5.019	30	20	HKED	
CC(C)n1cc(/C=C/C(=O)c2ccc(-c3ccccc3Br)s2)nn1	806571324	GZVVUNDMYWZGJH-BQYQJAHWSA-N	402.317	5.246	30	20	HKED	
C[C@@H](CO)n1c(C(F)(F)F)nc2cc(NCc3ccccc3C(C)(C)C#N)ccc21	864040023	OLIRVEVOKNWRHJ-AWEZNQCLSA-N	416.447	5.022	30	20	HKED	
Cc1ccc(Sc2ccc(NC(=O)c3ccccc3SCC#N)cc2)cc1C	901547421	IPYZWLYZOFXZTP-UHFFFAOYSA-N	404.560	6.323	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1	915190624	CUMXHFNJDRIJJL-DEOSSOPVSA-N	400.503	5.071	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(C)o2)nc1C	916904854	JRFZLFCLMJBXBB-KRWDZBQOSA-N	421.522	5.106	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2ccc(F)cc2s1	916944662	KMKMGZDOZHMMOL-AWEZNQCLSA-N	407.253	5.308	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c[nH]c3cc(C)ccc23)c1	917541794	QBVDHFDWUNZQPN-UHFFFAOYSA-N	419.554	5.250	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-n2c(C)cnc2O)cc1	919993532	VAGXHUOETVPVIT-UHFFFAOYSA-N	424.460	5.111	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(C)ccc4[nH]3)cc2)CCC1	1788966012	HOLDODIPFLZVOQ-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1	9788676	LOILXZAAVVOHJH-UHFFFAOYSA-N	424.595	5.272	30	20	HKED	
C[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(C#N)cc1	26133980	OCRMTRBYMUYKKX-ZDUSSCGKSA-N	409.898	5.016	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2cc3ccccc3o2)cc1OC	26313305	DBNRWMUHNWJQBD-CQSZACIVSA-N	416.315	5.620	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1	28373690	ZHTWZXBDCRATJX-XMMPIXPASA-N	413.521	5.678	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1	72087477	POHTWXILGLLWKB-ZRDIBKRKSA-N	407.470	5.284	30	20	HKED	
C=CCc1cc(CNCc2ccc(Oc3cccnc3)c(C)c2)cc(OC)c1OC	237260196	HLHYMKIKTQFUDO-UHFFFAOYSA-N	404.510	5.218	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	303270301	HCTVOHSSCKULOC-CABCVRRESA-N	404.988	6.025	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1	303299333	OGELAVHOSVLUDL-XOKHGSTOSA-N	415.356	5.443	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1	410346586	KCLJBYWGKHHCPM-NRFANRHFSA-N	418.585	5.054	30	20	HKED	
C=C1CCN(C(=O)C/C(=C/c2cccc(OC)c2)c2nc3ccccc3s2)CC1	426496280	OETUMEGVEXTYLM-RGEXLXHISA-N	404.535	5.414	30	20	HKED	
COc1ccc([C@H](NCc2cccc(F)c2C#N)c2ccccc2Cl)c(OC)c1	427425099	TUNWNBNPGHGXTI-HSZRJFAPSA-N	410.876	5.247	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nnn1C(C)C	429682389	NJDGHQJDRAISTJ-ZDUSSCGKSA-N	420.325	5.088	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CC[C@H](CC(F)(F)F)C1	434162386	HYYUOJIBWUIWLV-BXKDBHETSA-N	422.291	5.293	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](Cc2ccccc2)C1	437838318	FWPVDMYEAFJSMK-JOCHJYFZSA-N	411.505	5.756	30	20	HKED	
Cc1nc(-c2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2)cs1	441297470	QNNYJIPICIMLQW-QGZVFWFLSA-N	401.413	5.132	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc(-c2ccccc2)cs1	442668089	BOYVFNIGCDZJGY-GOSISDBHSA-N	412.474	5.228	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1c[nH]c2ccccc12	442881894	BQQZJEMPAJTNAY-KRWDZBQOSA-N	406.555	5.023	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(c3ccc(Cl)c(C#N)n3)C2)n1	447670896	OHWFHVPYCIDPLS-AWEZNQCLSA-N	410.930	5.123	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	460258124	REJHKEBAUHITIL-UHFFFAOYSA-N	417.534	5.948	30	20	HKED	
CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1	461303246	VXMXDXSFYYXHBI-RBUKOAKNSA-N	423.611	5.037	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(Cl)ccc1Cl	462695639	OGVJMFVQUGXFBL-UHFFFAOYSA-N	411.402	5.092	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1cc(C(F)(F)F)ccn1	464429507	WJANXGWRGJPDKK-GFCCVEGCSA-N	409.289	5.157	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(OC(C)C)c1	464465143	FQYCXEOWGAYKIH-KRWDZBQOSA-N	406.404	5.166	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	467369367	KHQVZXVUXIVRSA-FQEVSTJZSA-N	421.541	5.116	30	20	HKED	
C[C@H]1SCCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@H]1c1ccccc1	469413877	KPUZNPPFPJFMOL-WZONZLPQSA-N	403.551	5.264	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(Cl)c1	473485633	ARPVAPBUVOVDAM-KRWDZBQOSA-N	411.914	5.527	30	20	HKED	
Cc1cc2occ(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2cc1C	473488347	JIDWLSHBNSDNNE-OAHLLOKOSA-N	417.490	5.129	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)nc1-c1ccc(Cl)cc1	473949932	KFTZGVUKUZCRJN-CQSZACIVSA-N	421.953	5.553	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2	476092209	WEGKKWXXPWMPRE-AMHTUMDSSA-N	419.565	6.003	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(OCCOC)c2ccccc2n1	476132929	DNAPWBLSDMWYHH-UHFFFAOYSA-N	404.510	5.364	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1	480835740	CKWCLYDTPWQIDK-WIYYLYMNSA-N	407.514	5.099	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)nc1-c1ccccc1	481051807	CRPNRUGDDXGNDD-NRFANRHFSA-N	414.509	5.383	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	481486573	QKGMEFAACCICBA-UHFFFAOYSA-N	406.530	5.295	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c12	483194381	HJHKKUVKDBLGSW-HNNXBMFYSA-N	423.432	5.039	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccccc1C#N	484636843	IERHZAXFVAVQMY-UHFFFAOYSA-N	416.506	5.149	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nc(-c2ccc(Cl)cc2)no1	488783068	MVMKQUBWORBQJT-VIFPVBQESA-N	410.808	5.529	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(Cl)c(F)cc2Cl)n1	498981980	CRJCCVSTGOYMOJ-UHFFFAOYSA-N	409.635	5.096	30	20	HKED	
N#C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1	499405464	FTCIAZGWPWHFQT-NRFANRHFSA-N	405.295	5.040	30	20	HKED	
N#C[C@H](C(=O)c1cnccc1Oc1ccccc1)c1nc2cc(Cl)ccc2s1	501329842	OYKUYQCXCOCDPE-OAHLLOKOSA-N	405.866	5.627	30	20	HKED	
Cc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccccc1	503972043	HHBLGCGIKKALAB-UHFFFAOYSA-N	421.500	5.049	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)cc2)cc1	504178669	ZSIABJILMOUQFH-UHFFFAOYSA-N	421.456	5.985	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc(-c2ccncc2)cs1	505702120	VSVIBMWOCMLBJU-ZDUSSCGKSA-N	424.457	5.097	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	505912011	IGWOLXGMPPSIRG-MRXNPFEDSA-N	401.413	5.132	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2NCCCc2ccccc2)cnc1C(F)(F)F	506088483	YZALJVZZZZIBPA-UHFFFAOYSA-N	424.426	5.269	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	506657179	PTSDICNCGIHKNP-UHFFFAOYSA-N	410.477	5.031	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2cccc(Cl)c2)cc1	511322092	QLSPCLKLFHMSOL-UHFFFAOYSA-N	419.912	5.349	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccccc2Oc2cccc(Br)c2)n1	513666380	MARRYYVDOOPPMP-INIZCTEOSA-N	413.296	5.496	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1	516112299	ZMBOPBXVNHKKIG-LJQANCHMSA-N	423.314	5.196	30	20	HKED	
C=CCN(C(=O)[C@H](C)n1cccn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	518171584	AYZYFFBLHATSDB-SFHVURJKSA-N	414.534	5.454	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518742110	UYJFMLKRDXCNQY-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C[C@H](CNCc1cccc(OCCCC#N)c1)Sc1ccc(Br)cc1	518819156	ANTSLOGFXVRAQD-MRXNPFEDSA-N	419.388	5.402	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccccc1OC(F)F	519889941	XHMJLOGGRDUPIQ-MRXNPFEDSA-N	401.457	5.088	30	20	HKED	
CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)cc1C(F)(F)F	524438375	BUUPTYZYPHGYSL-UHFFFAOYSA-N	410.289	5.407	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1	530876899	RWVNDJIUMZWEAJ-SFHVURJKSA-N	417.412	5.012	30	20	HKED	
C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	531733652	GCFJNVFEOMJUAS-SECBINFHSA-N	419.291	5.334	30	20	HKED	
Cc1nc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)sc1SCC#N	535096661	QELPGHNGQBFAII-UHFFFAOYSA-N	400.916	5.035	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccccc1C(F)(F)F	537158411	AAVFFWMZTLNYNF-HUUCEWRRSA-N	421.488	5.389	30	20	HKED	
CN(C(=O)c1ncc(C#N)cc1Cl)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	538478458	WVROQHCUQMAWSE-RDJZCZTQSA-N	407.823	5.034	30	20	HKED	
N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)CC1	541984646	NRUQTHKKQWHGIC-DYTRJAOYSA-N	407.517	5.487	30	20	HKED	
N#C[C@@H](C(=O)c1cccnc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	542283749	FFHOOQUQFPZLQA-HNNXBMFYSA-N	414.317	5.879	30	20	HKED	
CC(=O)c1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	542943019	DTBHFCGHYOBJAI-MSOLQXFVSA-N	411.505	5.106	30	20	HKED	
Cc1ccnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1	543053007	UJQPWDKKXUNBPT-CYBMUJFWSA-N	417.275	5.216	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1	558743741	ZTEDYHVCSALHJA-INIZCTEOSA-N	404.539	5.113	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1)C(F)(F)F	564813461	RRUSHWHCRUSNOF-INIZCTEOSA-N	415.440	5.535	30	20	HKED	
CCCCSc1nnc(Sc2c(C#N)cnc3c(OC)cc(OC)cc23)s1	568427559	CNVJKMDQJHBQTM-UHFFFAOYSA-N	418.569	5.019	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F	576625890	MTMKPBDSKLVNHS-DOTOQJQBSA-N	421.488	5.481	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12	582922670	ILKCBXAFFWBSIX-UHFFFAOYSA-N	416.531	5.269	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c1	589740910	JOTHRBDTDWIOBM-CQSZACIVSA-N	400.429	5.269	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1nc2cc(F)ccc2s1	592973233	AYDFJVAXBMZSJB-GOSISDBHSA-N	406.413	5.857	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccccc4Cl)on3)s2)cc1	603589304	QWJIYSQINRXJJG-UHFFFAOYSA-N	420.881	5.166	30	20	HKED	
N#CC1(C(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CCCC1	603987543	NENGZWXNMZTLMD-UHFFFAOYSA-N	413.477	5.366	30	20	HKED	
CCc1c(C)sc(NC(=O)CCCOc2ccccc2Br)c1C#N	609032461	IUXBDAOZQUCDRL-UHFFFAOYSA-N	407.333	5.051	30	20	HKED	
C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609378638	ZTMKMRXAKMGVPG-GFCCVEGCSA-N	412.408	5.256	30	20	HKED	
Cc1cc(C)cc(OCCSCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	609388152	NGTBOSULZSCGNU-GOSISDBHSA-N	414.596	5.306	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(Br)cc2)c1	609433210	JVTHAWQDQRBDLA-UHFFFAOYSA-N	407.311	5.190	30	20	HKED	
Cc1cc(Br)ccc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	609555593	VGXAIVGYNCQVHJ-ZDUSSCGKSA-N	418.360	5.331	30	20	HKED	
CCC[C@@H](C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	609792775	CHKPBRAOMAIVPC-HNNXBMFYSA-N	405.285	5.059	30	20	HKED	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	610323966	ADBZPTOWHFJXKU-QFIPXVFZSA-N	415.449	5.004	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)CC1	619728876	QHRPMNJMZOWKNI-UHFFFAOYSA-N	416.912	5.491	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	672658358	XFKGJTBJIZJIOS-UHFFFAOYSA-N	418.362	5.036	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1	681327948	LBTIWPSSERZMMS-JOCHJYFZSA-N	418.459	5.112	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc2ccccc2s1	728410587	YLVWHCCSFNRSKL-XLIONFOSSA-N	412.514	5.531	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)cc1Br	728439140	FPCSALOAKCVTBF-AATRIKPKSA-N	406.326	5.539	30	20	HKED	
Cc1ccc(Cn2nc(C)c(CCC(=O)[C@H](C#N)c3ccc4ccccc4n3)c2C)cc1	730394670	LANNJDKNNGFDTG-XMMPIXPASA-N	422.532	5.214	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	730921066	UYNQRGPBJZGQAQ-OTWHNJEPSA-N	406.844	5.083	30	20	HKED	
COc1ccc(N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC(C)C)cc1	731030080	BVXDCMBLSILIKI-GOSISDBHSA-N	411.571	5.048	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	731332159	FBFWXZFTAUVAKS-LUJNMSEFSA-N	408.523	5.306	30	20	HKED	
CCN1C/C(=C/c2ccnc3ccccc23)C(=O)/C(=C/c2ccnc3ccccc23)C1	731835977	XQSMDFYINRWESY-KBNZVFGVSA-N	405.501	5.155	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@H](C)c2cc3ccccc3o2)c1	733806761	LZAGDFVYSQRNTL-YLJYHZDGSA-N	405.498	5.406	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCCCC3)cc2)c1	733851564	CXSSERMAXGBYGU-QFIPXVFZSA-N	406.530	5.070	30	20	HKED	
CC[C@@H](NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccs1	734376734	YORJGKIRPPYIEA-OAQYLSRUSA-N	421.591	5.831	30	20	HKED	
O=C(O)CCOc1ccc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)cc1	741844419	UXRJRJXTPHNYPL-KMKOMSMNSA-N	410.413	5.091	30	20	HKED	
CSc1cccc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)c2cc(F)ccc2F)c1	742384553	IAMCGDRTPHZIIV-VOIUYBSRSA-N	424.516	5.857	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C3/CCc4cc(C#N)ccc4C3=O)c2)cc1	742437160	RQRHRLYMRIPOFO-BKUYFWCQSA-N	408.457	5.032	30	20	HKED	
CCOc1cc(/C=C2\CCc3cc(C#N)ccc3C2=O)ccc1OCC(F)(F)F	742438182	TVZDAKMSOHOKPJ-RQZCQDPDSA-N	401.384	5.111	30	20	HKED	
CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	745550552	YFUHAIRLZFJGHI-HTAPYJJXSA-N	410.539	5.002	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3cc(F)ccc3C2=O)cs1	747440566	RECJXQXIYJJWBK-PTNGSMBKSA-N	410.445	5.318	30	20	HKED	
O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CCc2sc(Br)cc21	754689878	VUJHDDCHJHPNCA-UKTHLTGXSA-N	413.296	5.305	30	20	HKED	
C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1nnc(-c2ccc(Cl)cc2Cl)o1	758060591	RNNXQIVNWUJXMI-MRVPVSSYSA-N	424.190	5.111	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccccc2)[C@@H](C)C2CC2)c1=S	764884373	JWJUKAJCGTVCAW-IBGZPJMESA-N	419.598	5.310	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1	764986919	IDZXHBFIIJAYTA-IRXDYDNUSA-N	413.949	5.514	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2ccc(OCc3ccccc3F)cc2)cc1	766467970	LQAQHJFRYYDORG-UHFFFAOYSA-N	403.501	5.044	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc2ccsc12	767631063	SNVBNSDGQPBFHB-AWEZNQCLSA-N	410.520	5.091	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccc(-c4ccccc4)cc3)n2)cc1	768127249	OZCSWOPLMDWBQU-JOCHJYFZSA-N	420.497	5.595	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	772452302	GPUCTAATXSLGCN-IBGZPJMESA-N	415.578	5.402	30	20	HKED	
C=CCC[C@H](NCc1cc(=O)oc2cc(NC(=O)OCC)ccc12)c1ccccc1	775464919	UVZDQYIWYIBSKZ-NRFANRHFSA-N	406.482	5.159	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H](O)c1cc2ccccc2s1	778326307	WEKMSPKBLKIPAF-LJQANCHMSA-N	414.486	5.029	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	780391961	HZIWEBLLYNLJCO-INIZCTEOSA-N	422.756	5.654	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1	781445078	FKLMLFOSLBAWHQ-UHFFFAOYSA-N	420.271	5.356	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1	782780423	JHXINWGYABQVJL-UHFFFAOYSA-N	410.514	5.095	30	20	HKED	
COc1ccc(-c2cc(NCCCC3(C#N)CCOCC3)ccc2OC(F)F)cc1	798390224	MKISIFMHJOLWDE-UHFFFAOYSA-N	416.468	5.476	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)n1	799373953	ONTMHJUQAMPMOW-UHFFFAOYSA-N	417.534	5.019	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Cc2cncc3ccccc23)cc1	805855658	LQEXJVMNMATHQJ-LLJLJFOGSA-N	413.521	5.274	30	20	HKED	
N#Cc1cc(F)c(C(=O)Oc2c(Cl)cc(Cl)cc2Br)c(F)c1	809260643	GTEBUPDRISZDCQ-UHFFFAOYSA-N	406.997	5.125	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1	809889077	QHYHIMDADZNJJY-HXPMCKFVSA-N	404.297	5.557	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813216762	YKQBAOUKJLCGRG-CABZTGNLSA-N	403.187	5.051	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(Br)c2)cc1	915085981	GPQRCGMXIXYDAX-OAQYLSRUSA-N	421.294	5.122	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1	915124701	UQRTZHDQNSIISH-FQEVSTJZSA-N	412.345	6.458	30	20	HKED	
Cc1cc(CNCCSCc2ccccc2C#N)cc(C)c1OCc1ccccn1	915223821	MOBAOUGQZPYYDU-UHFFFAOYSA-N	417.578	5.172	30	20	HKED	
C=CCN(C(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1)C(C)C	916713186	QZXFZGVYEBNYFV-UHFFFAOYSA-N	413.949	5.431	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(SCc2ccccc2)cc1	916910263	GTYJJRRSQXTNFQ-IBGZPJMESA-N	420.921	5.593	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	916945971	GYHPCNPHLYTLOQ-BHDSKKPTSA-N	407.219	5.009	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046821	RBTHIAAQRPVLAS-IAQYHMDHSA-N	402.928	5.315	30	20	HKED	
FC(F)(F)c1cccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	918722002	RKEWSMCRFQCKFL-UWVGGRQHSA-N	424.332	5.465	30	20	HKED	
C[C@@H](NCc1nc(O)c2cc(Cl)ccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	1473374156	IKYHOAWHYVWHQW-OAHLLOKOSA-N	414.896	5.378	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1	1789451665	QNUZZTVAKPYZAT-GOSISDBHSA-N	408.464	5.231	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828349441	CXLUVCGACSOIHT-DHIUTWEWSA-N	414.634	5.345	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccoc1C	7172219	KMNGZYHRZFVYHI-CQSZACIVSA-N	416.934	5.114	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccccc1	8573678	BZPJJZLPNWUBMX-WIYYLYMNSA-N	420.582	5.269	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1	11083359	MUEXZRAQBYVXJD-UHFFFAOYSA-O	423.533	5.044	30	20	HKED	
N#Cc1ccc(CSc2nnc(SCc3ccc(C#N)cc3F)s2)c(F)c1	11148046	VJRUVHVFOUBCEY-UHFFFAOYSA-N	416.503	5.144	30	20	HKED	
COc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1cccc(C#N)c1	14344541	FVJVBIZFFVGJBZ-UHFFFAOYSA-N	408.457	5.551	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)cc2)cc1	22730948	RYFIVJSRGXACRH-UHFFFAOYSA-O	409.600	5.656	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	46647860	LNOPPTVVYJDTNU-FQEVSTJZSA-N	401.510	5.119	30	20	HKED	
Cc1occc1-c1nnc(SCc2cc(C#N)ccc2F)n1Cc1ccccc1	53942536	KECZWOWHXLLVDT-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	60625956	VSMFIVHTGFLONG-UHFFFAOYSA-N	410.926	5.781	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3nnco3)c2)cc1	63761207	QPYPLTCKCMAAGY-UHFFFAOYSA-N	412.474	5.153	30	20	HKED	
CN(CCC#N)C(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1	71838478	WAXQTFRUMUCJOQ-OQKWZONESA-N	402.519	5.240	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	72041273	PFLRKXQUKODZKO-DEOSSOPVSA-N	413.477	5.728	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[nH]c2c1C(=O)CC(C)(C)C2	195706248	UMDAZZPUGKBJMJ-UHFFFAOYSA-N	413.477	5.395	30	20	HKED	
N#Cc1c(Cl)nsc1N[C@H](Cc1ccccn1)c1ccc(Br)cc1	302718259	YZHSKGGPBYIWIU-OAHLLOKOSA-N	419.735	5.222	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1CCc1ccccc1	303367561	IYYMCPWIUPUAJB-TZIWHRDSSA-N	407.583	5.117	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	303568757	YARRARGVIULOIL-RBUKOAKNSA-N	405.404	5.074	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)s1	430622126	FCNXJUOFFUFCBA-GFCCVEGCSA-N	419.337	5.423	30	20	HKED	
CC(F)(F)c1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	431352453	SEDZRALOUWDCLI-UHFFFAOYSA-N	405.404	5.175	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[C@H]1CCCC[C@H]1O	431541556	AQYMGGBFRNUAGT-AUSIDOKSSA-N	407.514	5.112	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	432061735	KEKQYBLMBUJYLF-QFIPXVFZSA-N	415.497	5.326	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1Oc1cccc(F)c1	432467961	DADKODNGPVTORC-UHFFFAOYSA-N	417.440	5.237	30	20	HKED	
CC1(C)CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCS1	433214663	USLHYFZFFHTHIT-UHFFFAOYSA-N	413.518	5.026	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	433226581	NYLPWORIOLJZRZ-IONNQARKSA-N	406.273	5.111	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccccc1	433289330	UEYDYRBFSCSQNW-IBGZPJMESA-N	420.900	5.456	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1	434842126	OMTBCUHBIIZTJU-HNNXBMFYSA-N	421.488	5.343	30	20	HKED	
O=C(NC1CCC(F)(F)CC1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436346267	WNNQRTZBFVWFET-CYBMUJFWSA-N	418.328	5.576	30	20	HKED	
CC(C)[C@H](c1ccccc1Cl)N(C)CC(=O)Nc1ccccc1SCC#N	436413306	OVXRSSBNMGQTFB-OAQYLSRUSA-N	401.963	5.223	30	20	HKED	
Cc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cccc1OCC(F)(F)F	437948212	BOGLRSQBHRQKLL-IEBWSBKVSA-N	417.431	5.240	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1	438686433	KECADROPVABEBV-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1Br	439024917	FQVYVORGHXYIIG-UHFFFAOYSA-N	416.197	5.009	30	20	HKED	
C[C@@H](Nc1ccc(CC(F)(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	439598032	SEIWFHOHGABUEV-CYBMUJFWSA-N	421.488	5.433	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C	439951383	DTMZXZIZJCNTLJ-UHFFFAOYSA-N	418.806	5.192	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1C#N	439990076	OKUPKLDTKOYUMS-UHFFFAOYSA-N	405.445	5.300	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1nc(-c2ccoc2)no1)c1ccc(C(F)(F)F)cc1	441571441	MCLNBSZOHNIXMH-QGZVFWFLSA-N	419.403	5.105	30	20	HKED	
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C2	463749268	MFGQLNPSYWDQGH-SFHVURJKSA-N	420.456	5.270	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccccc2)cc1	469276484	FPGPBXJCDGBCNL-FQEVSTJZSA-N	409.533	6.110	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	471169678	NJFXGJHYSHJCGJ-UHFFFAOYSA-N	410.370	5.590	30	20	HKED	
CCOc1ccc(Oc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)cc1	473675366	IOQMBDHNQNJEFM-UHFFFAOYSA-N	416.481	5.220	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(COc2ccc(C)cc2)n1	476123556	POFAYFMCVIFVJZ-UHFFFAOYSA-N	420.578	6.064	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3ccc(Sc4ccc(Cl)cc4)o3)CCO2)c1	477617029	PMULGTGTNYXMLQ-HXUWFJFHSA-N	424.909	5.170	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)Cc1ccc(Br)s1)c1ccc(F)c(F)c1	477738493	IIWOZVVGRVUVMT-INIZCTEOSA-N	415.303	5.248	30	20	HKED	
COc1ccc(CNc2cnn(-c3cc(C)ccc3C)c2C)cc1OCCCC#N	478300329	GLQSPEYLPYHYFT-UHFFFAOYSA-N	404.514	5.101	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1Cc2ccccc2C2(CC2)C1	480603014	RCYODFYULJOKHF-UHFFFAOYSA-N	423.516	5.525	30	20	HKED	
C=CCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1nc2c(s1)CCCC2	482368739	VRHNPYHEPYZQRG-UHFFFAOYSA-N	423.582	5.073	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1nccc2ccccc12	483227951	CQYLYTZFUHLYNG-FQEVSTJZSA-N	420.497	5.639	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cnn1-c1ccc(Cl)cc1	483234708	MMVZJQZLTNEXIK-QGZVFWFLSA-N	415.884	5.082	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1	483453509	HFWUKBHUSHMGTQ-QFIPXVFZSA-N	420.900	5.259	30	20	HKED	
N#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1F	483681374	IPKYQWQNUNAUPK-MRXNPFEDSA-N	401.201	5.243	30	20	HKED	
CCN(C(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccc(C#N)c(Cl)c1	483791901	ZIBRJNZOBIDXIP-UHFFFAOYSA-N	416.959	5.150	30	20	HKED	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	484890058	DUEAJSZTEMPGFA-CQSZACIVSA-N	422.916	5.263	30	20	HKED	
COc1ccccc1-c1csc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)n1	485126798	JHLFMQDJHZAMAS-QGZVFWFLSA-N	403.551	5.631	30	20	HKED	
C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCC1=O	487238042	VLJFUKRMMQLHRW-ZIAGYGMSSA-N	416.399	5.313	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	489838465	IYPFHZGGPARUPL-MSOLQXFVSA-N	417.484	5.398	30	20	HKED	
C=CCc1cc(C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC	498977218	YMMFQSPJIOHTSR-AWEZNQCLSA-N	407.432	5.284	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1	499467379	BCRYQQTVVMSKFC-CQSZACIVSA-N	406.473	6.128	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)c(F)c1	500499269	DJAKOUPKTRFROK-UHFFFAOYSA-N	409.486	5.320	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1Br)c1ccc(OCc2ccccc2)cc1	505321806	YXFVQTPMUKRWCC-NRFANRHFSA-N	421.294	5.023	30	20	HKED	
CC[C@@](C)(C#N)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	506769057	YHCHFHPVIBIQNL-IBGZPJMESA-N	404.392	5.228	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccn2)cc1	506854162	BFAMVIZQPSHXKR-UHFFFAOYSA-N	400.482	5.436	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)c3ccccc3C#N)cc12	508088598	OQOJZLHVGHBBBK-UHFFFAOYSA-N	420.925	5.256	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)C[C@@H](C)C2	509710210	CKFMFIZSMFYNMY-UEJLOKKHSA-N	413.521	5.572	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)s3)n2)cc1	512508548	IGYGXSDUBPVDFM-LBPRGKRZSA-N	419.325	5.133	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl	512557339	PJVDXFDLFJPJNX-SFHVURJKSA-N	402.970	5.140	30	20	HKED	
Cc1nc2cc(C(=O)Nc3ccccc3SCCC#N)ccc2n1-c1ccccc1	518122978	HAOPFNDYMGGVIS-UHFFFAOYSA-N	412.518	5.592	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3c(ccc4ccccc43)c2C)n1	518669472	FJTYDPDXFFTXEI-MRXNPFEDSA-N	404.447	5.018	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1	518676754	PNOALOPYXDNSFM-QFIPXVFZSA-N	423.582	5.268	30	20	HKED	
N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)nc1	518895085	AMSXOMLUIOLHCH-UHFFFAOYSA-N	403.438	5.383	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)CSc1ccc(C#N)cc1	519136053	NOEHSSMMEZRITA-ZDUSSCGKSA-N	411.527	5.099	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(C(F)(F)F)cc2Br)c1	519562899	PSNSORQDOZGCKX-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1nc2ccccc2n1-c1ccccc1	521135299	LOYBDITZIRRQNL-UHFFFAOYSA-N	422.532	5.267	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1)C(C)C	522654623	BUUSATVAUOEBKO-KRWDZBQOSA-N	424.570	5.339	30	20	HKED	
N#Cc1c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)sc2c1CCCCC2	533641639	AZABGCAPNSIQII-UHFFFAOYSA-N	407.926	5.856	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1-c1ccc(F)cc1	533816537	WFBNZCHBJLCIEB-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1c(C)cccc1-c1nc2ccc(F)cc2n1C(C)C)OCC	534474527	MRASVFGCKQMGAT-JOCHJYFZSA-N	423.532	6.042	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)cc1Cl	534908773	SDAAUVDXGNHWMX-UHFFFAOYSA-N	420.778	5.015	30	20	HKED	
N#CCCCOc1cccc(NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1	535139477	XRRGVXKAMWLQFR-UHFFFAOYSA-N	401.388	5.655	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1	536195163	FTWXYYZHNCFYGU-UHFFFAOYSA-N	415.346	5.350	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SCCC#N)ccc1NC(=O)c1cccs1	536269831	XATOMMQYLHVOMN-UHFFFAOYSA-N	421.547	5.567	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(COc2ccccc2)cc1	538032982	VFOPKRWONJRVGI-DQEYMECFSA-N	411.505	5.569	30	20	HKED	
N#CC1(c2ccc(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)cc2)CC1	538493466	KDHALVUNSCDKMP-QHCPKHFHSA-N	405.501	5.285	30	20	HKED	
CC[C@H](C)Cc1c(C)sc2nc(SCCCC3(C#N)CCOCC3)nc(O)c12	539713501	CXAYBKBWBICXSX-AWEZNQCLSA-N	419.616	5.487	30	20	HKED	
CCC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C(F)(F)F)c1	540363472	XQQJJPXPWIANTI-GOSISDBHSA-N	400.404	5.258	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C(C)C)s1	541104924	FZEWFOUODCBYFN-UHFFFAOYSA-N	413.934	5.210	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(C(F)(F)c3ccc(F)cc3)no2)c2ccccc21	544489331	ITQUIIYBWPESQW-IZZDOVSWSA-N	408.383	5.388	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3cnc(C4CC4)s3)s2)c(C(F)(F)F)c1	544677325	GUYBVFRUJKLYCV-UHFFFAOYSA-N	420.485	5.570	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	546800534	LFPQYZZBWUVCSF-ZDUSSCGKSA-N	401.457	5.860	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)CC1	548906560	YVSWGLYNGBWUCA-HSZRJFAPSA-N	416.569	5.360	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	548955227	ZNCCTYHUBNWCJR-FQEVSTJZSA-N	413.443	5.068	30	20	HKED	
Cc1c(C(=O)N(Cc2ccccc2)CC2CCOCC2)sc2ccc(C#N)cc12	550961732	HJLWZCORGCEDRF-UHFFFAOYSA-N	404.535	5.150	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccsc1	554931999	NNZPVWWYLUXXST-GOSISDBHSA-N	400.935	5.100	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F	561821323	VCGRMFMOTKNLPQ-AWEZNQCLSA-N	423.391	5.145	30	20	HKED	
CO[C@H]1CCOc2c(NCc3cccc(OCc4ccccc4C#N)c3)cccc21	571985527	PGEVMTLZMSLSPA-DEOSSOPVSA-N	400.478	5.219	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c2)o1	575920992	JOXIZELVUUWGEG-INIZCTEOSA-N	420.538	5.382	30	20	HKED	
N#Cc1cccc(C2(N[C@@H]3CCCc4c3[nH]c3ccc(Br)cc43)CC2)c1	581195994	AUYHHMCZYPEYDZ-HXUWFJFHSA-N	406.327	5.458	30	20	HKED	
CC(C)c1ccc([C@@H](CNC[C@H](C#N)CCC#N)N2CCc3sccc3C2)cc1	581655060	NZKOFPLIYDLLMA-WMZHIEFXSA-N	406.599	5.004	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	588993430	IKHMFTNQHFRQDV-JOCHJYFZSA-N	416.481	5.369	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1	589739539	SQGPAXQJOXHPQK-UHFFFAOYSA-N	412.917	5.422	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)c1ccco1	592975516	IFVPENXUKLWWJV-OAHLLOKOSA-N	419.437	5.079	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604003434	DSWNESMPTJBOGY-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
COc1cc(Br)cc(C)c1NC(=O)Nc1cccc(OCCCC#N)c1	604456340	RPZWRPLGEMHIBF-UHFFFAOYSA-N	418.291	5.093	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c1	608812334	MDKZGAJAEKFHDW-UHFFFAOYSA-N	424.416	5.119	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609061968	NMDICSWTINPFLU-LJQANCHMSA-N	400.478	5.160	30	20	HKED	
N#CCn1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc2ccccc21	609165795	UODFBWLWMANJRC-NRFANRHFSA-N	405.910	5.399	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1	609204803	KSXJMWHXGIGCAO-UHFFFAOYSA-N	405.885	5.455	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)nc1	609378347	GBRSDHZIOAOPFN-UHFFFAOYSA-N	419.350	5.377	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Oc2ccccn2)cc1	609384546	NYNRZZWRRDREQZ-QGZVFWFLSA-N	419.506	5.286	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	609434683	IWRDEVCRJDOKTA-HKUYNNGSSA-N	418.566	5.974	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1	609435044	MSSJGULVKDEMGU-GJZGRUSLSA-N	421.488	6.325	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4F)C3)cc2)c1	609436993	JAVNUZPBNTUYHX-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC(F)F	609636087	NUTIMQGYYLZBKB-UHFFFAOYSA-N	410.380	5.299	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2OCC2CC2)cc1	610122986	YSYLZNODRRAYMG-UHFFFAOYSA-N	402.425	5.531	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(Cc2ccccc2)n1C1CCCCC1	610863370	YZHBBEOGIFGEJU-QFIPXVFZSA-N	402.567	5.601	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1	611355895	LMYLYTMKLWUYPC-YADHBBJMSA-N	420.578	5.129	30	20	HKED	
N#C[C@@H](C(=O)c1occc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	613320417	YNPDQUDDXQEKEW-SFHVURJKSA-N	404.878	6.214	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCC1	618295312	KHZUBCWGOZWDCF-OKILXGFUSA-N	411.361	5.227	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc(CSc2ccccn2)c1	618752485	BLDYTACFGOKDHB-NRFANRHFSA-N	400.507	5.055	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1	682778205	ZOWGGBUTVBIRSO-UHFFFAOYSA-N	406.526	5.371	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)o1	726627902	VTPCAGPNYSXGLQ-QBXHWNAFSA-N	400.912	5.334	30	20	HKED	
COc1cc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc(Cl)c1O	727685738	YSWOAKFAQRYGEZ-JYRVWZFOSA-N	415.873	5.529	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	727996782	MYJGQEGBBXQWMY-KPKJPENVSA-N	413.433	5.006	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	728014582	QBBBIQVUACZSNL-UHFFFAOYSA-N	405.360	5.220	30	20	HKED	
O=C(NCC#Cc1ccccc1)c1sc2cc(Br)ccc2c1Cl	729838705	SUMPNNOCQMLBBC-UHFFFAOYSA-N	404.716	5.099	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1C#N	729850973	ZUOXODZWMRUGDJ-SFHVURJKSA-N	412.489	5.533	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	730471576	QVDPSSFMOSHFED-UHFFFAOYSA-N	411.477	5.095	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)O[C@H](C)CC#N)cc12	733708217	OAIYPWIXYLAQPC-SNVBAGLBSA-N	408.310	5.220	30	20	HKED	
Cc1ncccc1/C=C1/CN([C@@H]2CCCC[C@H]2C)C/C(=C/c2cccnc2C)C1=O	734094372	CNKRMSKMCAYJEI-VVPXPUBZSA-N	401.554	5.024	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1nccn1Cc1ccccc1	734095602	QWNJMWDZZXFYPV-VAWYXSNFSA-N	403.482	5.399	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	739156270	MKWCSNXISORNQC-KSSFIOAISA-N	414.452	5.884	30	20	HKED	
CCOc1ccccc1OCCCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739596069	PVXVHCQGWMQWQF-UHFFFAOYSA-N	420.534	5.161	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740059976	NMTMGSRGDQQVQX-CQSZACIVSA-N	411.477	5.468	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3nnc(-c4ccsc4)s3)c2)s1	740445170	TUSKTBCOXFYZRX-UHFFFAOYSA-N	423.548	5.188	30	20	HKED	
CCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H](C)c1ccc(F)cc1	740483911	ZGGJQYBOZAOEQK-MRXNPFEDSA-N	407.514	5.719	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)c1ccncc1	740825399	LKHHHJLDAGRQPR-SFHVURJKSA-N	401.894	5.129	30	20	HKED	
CC(=NNc1nc(C)nc2sc3c(c12)CCCC3)c1c(Cl)nc2sccn12	741838731	XQOAMGHSZMPDAI-UHFFFAOYSA-N	416.963	5.077	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cnc(-c4ccccc4)[nH]2)CC3)cc1	742434442	IXHMUMBTNOTJPE-GHRIWEEISA-N	413.502	5.421	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cnc(C(C)(C)C)s3)n2)cc1	744062664	UTCKPWDYNQIFJV-FVNWOWOISA-N	423.563	5.462	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1	747358830	JMJNXXPNLHEOIE-LOSJGSFVSA-N	413.496	5.084	30	20	HKED	
COc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	748532484	YYKOQFVSMCPQKA-SFHVURJKSA-N	424.501	5.209	30	20	HKED	
C=C(C)CN(CC)C(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12	749315845	JMKYYQDCFKOIPQ-UHFFFAOYSA-N	410.315	5.098	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	750203533	JFPRNBHUNKRBBX-LLVKDONJSA-N	403.225	5.400	30	20	HKED	
O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1nc(Cl)ccc1F	759889499	HUKGZKMRODIHJE-GFCCVEGCSA-N	401.665	5.353	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3ccc(SCc4ccccc4)cc3)CCO2)c1	762310884	WGRSNXZJBHKZTI-XMMPIXPASA-N	414.530	5.064	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC(C)(C)[C@@H]2c2ccccc2)c1=S	764909183	NIRSNJBBORLMID-FQEVSTJZSA-N	405.571	5.093	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2n1	766615554	FDLNQGVBYMSIBM-DEOSSOPVSA-N	405.501	5.113	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1	769274189	HEYPFXMOKIELOA-UHFFFAOYSA-N	409.445	5.092	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CC1(CSc2ccccc2)CC1	770844210	VGVNQOWKAIMWHU-LJQANCHMSA-N	402.519	5.331	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(COC(=O)c2c(F)cc(C#N)cc2F)on1	778131279	WQSRMXVZUPOGSO-UHFFFAOYSA-N	420.371	5.010	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc1	778218996	XURWMXVFASZJSX-SZNDQCEHSA-N	417.322	5.510	30	20	HKED	
Fc1ccc(NC(=S)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(F)c1	778533370	UILKYAJSJAUELG-ZDUSSCGKSA-N	412.330	5.156	30	20	HKED	
CC(C)[C@](C)(NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(Br)cc1	790994726	CPVKYAJXWOFBEK-KKSFZXQISA-N	401.348	5.401	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1	794701284	LKYBZGBIONVWTN-NDCSFFLDSA-N	402.446	5.110	30	20	HKED	
CC(=O)Nc1cccc(N=c2scc(-c3cc(C)[nH]c3C)n2CC2(CC#N)CC2)c1	797422336	VUWULMFTMTXDSO-UHFFFAOYSA-N	419.554	5.046	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Cc3cncc4ccccc34)n2)cc1	805856214	WFZPJNOYRVFRBY-HTAPYJJXSA-N	411.530	5.722	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1	805859087	XTKAJBOTWVJFRA-LBPRGKRZSA-N	421.444	5.410	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1	806171911	BLJBUROFZNYQDH-KRWDZBQOSA-N	421.715	5.467	30	20	HKED	
Cc1nc(Cl)c(Cl)cc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	808284396	DLNDQWXRDGDKRG-UHFFFAOYSA-N	414.317	5.648	30	20	HKED	
COc1cccc2c1[C@H](C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CC2	815912919	CTMIEVVKAWTKBX-KGLIPLIRSA-N	416.424	5.230	30	20	HKED	
C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	857314338	WDPKAULGWOQCSA-MRXNPFEDSA-N	417.534	5.127	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccccc3OCc3ccccc3)no2)cc1	904463200	GBDDPYNBBYQMDR-QHCPKHFHSA-N	422.488	5.529	30	20	HKED	
COc1cc(C=NNc2cccc(C(F)(F)F)c2)ccc1OCc1ccncc1	912777900	XUCVMBANKXKTSX-UHFFFAOYSA-N	401.388	5.134	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OC)c1	915085970	GKXGVUMSFPNHLH-HSZRJFAPSA-N	412.489	5.097	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1	915860399	UZCYZYCNUSUQBF-UHFFFAOYSA-N	405.457	5.973	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1	915862048	IPWZXLSFTZHPBW-KAYWLYCHSA-N	418.496	6.101	30	20	HKED	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccccc1C#N	915995227	LYGRRWCMLPTISZ-UHFFFAOYSA-N	407.520	5.272	30	20	HKED	
Cc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(Cl)cc3)n2)cc1	916306374	IPOLILYPQQGREE-UHFFFAOYSA-N	411.943	5.201	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	917043873	PRRLTXJBTYCCBF-QGZVFWFLSA-N	410.420	5.887	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1	917044720	UWPOYKQUVDPPOD-SCXUMTSISA-N	406.816	5.858	30	20	HKED	
C=CCN(Cn1nc(Nc2ccc(OC(F)(F)F)cc2)sc1=S)C(C)C	917481697	VZJNBQPOFJCTIU-UHFFFAOYSA-N	404.483	5.170	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2nccc3sccc23)cs1	917545666	WMBDBXFUTXCILE-UHFFFAOYSA-N	407.524	5.192	30	20	HKED	
CC(C)CN(CCC#N)Cn1nc(-c2ccc(F)cc2)n(-c2ccccc2)c1=S	919942807	CKFKTJCKEOFZLN-UHFFFAOYSA-N	409.534	5.039	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C34CC(C(F)(F)F)(C3)C4)cc2)CCC1	1786461600	QIAPOARIPCZMLI-TVRCVXMWSA-N	420.475	5.065	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1	1787597517	ZZKYUXVDENGYFR-UHFFFAOYSA-N	421.541	5.292	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)C1	1792122821	YLUBDIQIDRBKLH-SFHVURJKSA-N	413.521	5.028	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cs2)n[nH]1	1815380269	YLRJBTRKCSEJGD-QGZVFWFLSA-N	414.575	5.078	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1	1820800477	RQOSKNWMWUFAMA-IBGZPJMESA-N	400.567	5.141	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1828823611	VLPOQGLROWVKGL-RTWAWAEBSA-N	414.615	5.058	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)c1ccc(OCc2ccccc2C#N)cc1	33221268	LTSUOROEIBTSCW-UHFFFAOYSA-N	413.502	5.019	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)NC(C)(C)C)cc1	55014583	KBYNUEGKMAHMES-UHFFFAOYSA-O	400.612	5.150	30	20	HKED	
N#Cc1ccc(-c2ccc(OCc3nnc(-c4ccc(Cl)cc4Cl)o3)cc2)cc1	63414922	RNZJHPYMSNFIAK-UHFFFAOYSA-N	422.271	6.161	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1	63469739	SZDZOTBYAZFFBZ-UHFFFAOYSA-N	402.376	5.026	30	20	HKED	
Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2c(C)cccc12	64680418	GIINGIFVRSMQFZ-UHFFFAOYSA-N	420.519	5.317	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOc1ccccc1Cl	64908992	QPDYWFBOXMYIMV-UHFFFAOYSA-N	421.884	5.505	30	20	HKED	
Cc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n(C2CCCCC2)c1C	71798082	MTFQDENIALNYFD-IBGZPJMESA-N	410.587	5.433	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1OC	72051698	UKSUIZGQUDDRBJ-UHFFFAOYSA-N	416.477	5.073	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccccc2Cl)o1)CCCC3	254433086	ZKUYOSLYTLOORW-UHFFFAOYSA-N	409.898	5.132	30	20	HKED	
CC(C)Cc1nnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	255945793	QSCXYZXNDSOIKV-UHFFFAOYSA-N	408.552	5.153	30	20	HKED	
COc1ccc([C@@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccccc2OC)cc1	301764194	FRLAJDIIYQCSLG-HXUWFJFHSA-N	413.399	5.191	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(C(=O)c2ccc(F)cc2)CC1	302861443	PWQRKCHVDQBMGZ-UHFFFAOYSA-N	411.839	5.137	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc(C(F)(F)F)cs1	303931493	XCZWBJMJLFHGQO-UHFFFAOYSA-N	419.453	5.115	30	20	HKED	
C=CCN(C(=O)c1cc(F)ccc1Br)c1nc(-c2ccccc2)cs1	327032111	RPGQOQPKQZEKQN-UHFFFAOYSA-N	417.303	5.545	30	20	HKED	
O=C(CNc1ccc(F)cc1OCCC(F)(F)F)Nc1ccccc1C(F)(F)F	409857432	ZCIKODKZYXPXES-UHFFFAOYSA-N	424.316	5.226	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	430810148	SNWNKFBXWUVXFB-OAHLLOKOSA-N	420.683	5.605	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1	435023402	JZCWXPYLOYQIFS-HNNXBMFYSA-N	421.953	5.553	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)nc2ccccc21	435478055	RWDTZVCACFCIRE-KRWDZBQOSA-N	400.869	5.142	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1	438042586	GMPFSKCQCZEWQI-HUUCEWRRSA-N	403.935	5.181	30	20	HKED	
Cc1cc(NC(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)nn1CCC#N	446318260	HMYSUSBVWQXIBE-QGZVFWFLSA-N	405.527	5.603	30	20	HKED	
C=CCN(C(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1)C1CC1	448067149	OOFBWYHDMGDMPV-UHFFFAOYSA-N	402.292	5.127	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	463747621	TVDPEEFWAIFXSI-CYBMUJFWSA-N	415.118	5.133	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc12	463750234	XOBLMFSJYYCOFY-CQSZACIVSA-N	405.498	5.755	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	464234318	WXCPBFGVVZMMBX-SFHVURJKSA-N	423.538	5.107	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	465570805	MOQSFUPCJWUKCK-RYGJVYDSSA-N	401.432	5.248	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1	466094554	DIEXILQAMODELL-UPVQGACJSA-N	403.526	5.422	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	467331844	NIPLODQMZHAIRX-MRXNPFEDSA-N	417.513	5.493	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3csc(-c4ccccc4)n3)ccc21	469184595	FPNYVZLLXJWSDV-UHFFFAOYSA-N	402.523	5.005	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCOCC1	470025805	ALGNMBMRYILOBF-IFMALSPDSA-N	411.933	5.322	30	20	HKED	
Cc1c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cnn1C1CCCC1	470177667	SZKXETVHMRDTAN-UHFFFAOYSA-N	400.482	5.010	30	20	HKED	
COc1cc(F)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	470339854	DROKPKMBIWIAGS-GOSISDBHSA-N	424.859	5.404	30	20	HKED	
CC[C@@H](C)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470844755	OKNROLKEBQAPRM-KOSHJBKYSA-N	403.526	5.038	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1	471167954	GQSIQWUVOPCMCW-UHFFFAOYSA-N	411.571	5.254	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1	473637909	DHBPKTUTBCNVKD-GKWFENNMSA-N	415.584	5.043	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	474432785	LFAKTVJVXOAZEF-IBGZPJMESA-N	417.559	5.921	30	20	HKED	
Cc1cc(F)c(Br)cc1NC(=O)Nc1cccc(OCCCC#N)c1	474971827	INDKSRIZZBLGBD-UHFFFAOYSA-N	406.255	5.223	30	20	HKED	
COc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1NC(=O)C1CCCCC1	476059132	AEMBAEAVGJLBFC-HXUWFJFHSA-N	419.525	5.240	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C	476823773	HKBOIVRLVKLDPA-HNNXBMFYSA-N	405.564	5.103	30	20	HKED	
N#Cc1cc(F)ccc1CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1	477633780	RQONYYYIOPBLAF-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
C=CCn1c(SCc2nc([C@H](C)SCC)no2)nnc1-c1ccc(Cl)cc1	481372471	OVJPQNIASOZZFX-LBPRGKRZSA-N	421.979	5.274	30	20	HKED	
CN(C(=O)NCc1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	483678279	JKNSIMOTHSTTAG-QFIPXVFZSA-N	407.876	5.282	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	483971562	AHAVGHDBLHZTAB-INIZCTEOSA-N	400.265	5.260	30	20	HKED	
CN(C(=O)c1ccc(C#N)s1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	487036848	KNFBLGAENWHEGZ-UHFFFAOYSA-N	403.385	5.102	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C(F)(F)F)c1	499563926	VYMIVUOBSNDHPQ-ZIAGYGMSSA-N	422.472	5.874	30	20	HKED	
COc1ccc(OCc2nc(CNc3cc(C#N)ccc3OC(C)C)cs2)cc1	500994861	CSGQBWWRDDTECN-UHFFFAOYSA-N	409.511	5.002	30	20	HKED	
CCN(C(=O)c1nn(-c2ccccc2)cc1OCC(C)C)[C@H](C)c1ccc(C#N)cc1	503176378	HLSSIHGIFRTQPO-LJQANCHMSA-N	416.525	5.002	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(OC(F)(F)F)cc1	508872052	QRUFXTGHBRTDOE-UHFFFAOYSA-N	405.445	5.246	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1coc(C2CCCC2)n1	509480563	RYIUTKBWLAQQAS-UHFFFAOYSA-N	409.433	5.609	30	20	HKED	
CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	511502803	FTEWMNSPIQBBRK-UHFFFAOYSA-N	418.884	5.128	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1	512516455	GQYKTVZCVAVZAD-OAQYLSRUSA-N	416.569	5.536	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2C(C)C)cc1	513654889	NTSJAULLEKVKAA-QGZVFWFLSA-N	400.507	5.404	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc2ccccc2s1	513665498	FHWYXFYJDWHKBI-LJQANCHMSA-N	400.528	6.079	30	20	HKED	
N#Cc1c(NC(=O)CCc2cnn(-c3ccccc3)c2)sc2c1-c1ccccc1CC2	515626396	DJMACKKAOOCQOK-UHFFFAOYSA-N	424.529	5.142	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1coc(-c2ccc(F)c(F)c2)n1	517178307	YOUUROHELASJTB-UHFFFAOYSA-N	419.840	5.017	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1	517347187	XTVKOKLWBNQIOQ-UHFFFAOYSA-N	416.706	5.637	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1	518055350	MIBJQMMTDPKHMM-UHFFFAOYSA-N	419.447	5.270	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1	518170155	YWSOKSIPOSXKCU-MSOLQXFVSA-N	421.566	6.690	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C	518451671	CSEZSUAYXHSQFM-GOSISDBHSA-N	418.566	5.673	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccc(F)cc1	518946089	DLTVAEQRBCXMBD-UHFFFAOYSA-N	418.443	5.341	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)CC1	519286030	SQEKHUOSNVBNET-AREMUKBSSA-N	417.597	5.235	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)cc2)cc1	520326743	JNBSOZZQWYEZIQ-JWQCQUIFSA-N	412.489	5.195	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	520387920	VCNURDOWDZTJMW-UHFFFAOYSA-N	422.937	5.959	30	20	HKED	
N#CCCN(C(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccccc1	522748953	GYMOGLARWWZUPD-XMMPIXPASA-N	423.944	5.024	30	20	HKED	
C[C@H](CCC(C)(C)C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1	522913078	ZHBBMQJRKIGISU-QGZVFWFLSA-N	423.582	5.234	30	20	HKED	
COc1cc(CS[C@@H](C)c2nc(C3CC3)no2)ccc1OCc1cccc(C#N)c1	523936084	SZZZTUJSXCCPGS-HNNXBMFYSA-N	421.522	5.401	30	20	HKED	
CCOC(=O)CCc1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	525348229	PRXHVVCCOODMKQ-INIZCTEOSA-N	411.527	5.221	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2)cc1	525427777	NOEDUIODBVGLTO-IBGZPJMESA-N	406.367	5.206	30	20	HKED	
Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C	532972644	UBAPYHJOHNJASF-GCJKJVERSA-N	407.583	5.473	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1F)c1nc(-c2ccc(Br)cc2)cs1	532987278	MABZFCMOOMSXLG-LBPRGKRZSA-N	416.319	5.434	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1csc([C@H]2CCCO2)n1	535123364	GRXNMSTVEPCJKY-HXUWFJFHSA-N	405.479	5.219	30	20	HKED	
C=CCCOCCCCC(=O)Nc1nc(-c2ccccc2)c(Br)s1	537312230	SLZCGJMDMNVAHI-UHFFFAOYSA-N	409.349	5.274	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(-c3csnn3)cc2)cc1	539127523	ROBSKDNRXIQQTI-UHFFFAOYSA-N	411.490	5.065	30	20	HKED	
CC[C@@H](C)Oc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1	539679079	OPWNMKKQKNJQNJ-OCCSQVGLSA-N	413.449	5.151	30	20	HKED	
C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1	543293973	WEURGYZHKUAGIQ-WWMYMODYSA-N	411.933	5.322	30	20	HKED	
C[C@H]1N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCC12CCOCC2	543561842	CGSLAJNXEKAWJP-DYESRHJHSA-N	423.944	5.418	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	546922058	XUUIHBBRMIPUOZ-PBHICJAKSA-N	409.839	5.848	30	20	HKED	
O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)c1	549544960	RVJWTDMIOQNEPW-AWEZNQCLSA-N	414.252	5.285	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3c(s2)CSCC3)cc1	552966371	YYMOYAKPUFFSMQ-UHFFFAOYSA-N	423.588	5.349	30	20	HKED	
Cc1ccccc1C1=CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1	557616142	JUKLDDNIZNOXHG-UHFFFAOYSA-N	419.956	5.052	30	20	HKED	
COc1ccc(C)c2c1N(C(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)CCC2	561844154	DFXFQJWDZLNBDT-UHFFFAOYSA-N	412.489	5.455	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)CC2	566944578	UBNKEUNUWSCPLT-XZOQPEGZSA-N	418.338	5.277	30	20	HKED	
Cc1occc1-c1nnc(SCCCC2(C#N)CCOCC2)n1-c1ccccc1	567458370	ZZYARCRGMYHPRN-UHFFFAOYSA-N	408.527	5.028	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3c(c2)CCCC3=O)cc1	575885612	UWAHDGKFVGETMJ-UHFFFAOYSA-N	410.473	5.103	30	20	HKED	
COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)C2	578561443	FASDGCSZSLMKNO-INIZCTEOSA-N	407.539	5.169	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1[C@@H]1CCCO1	584021694	FZDGSOKUFADJII-BAGYTPMASA-N	423.944	5.417	30	20	HKED	
C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	589561993	MOWWRMNVLXJFQD-CQSZACIVSA-N	404.401	5.031	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	590016510	QTRXRYWBLVIYNC-CVEARBPZSA-N	412.238	5.284	30	20	HKED	
C=CCN(CCC#N)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	590408755	UUKGKEJXTBXLID-UKHBAXEESA-N	422.413	5.037	30	20	HKED	
N#Cc1cc2c(nc1SCc1nc(-c3ccc(C(F)(F)F)cc3)no1)CCCC2	591886528	UIZWKSHUNGMVGE-UHFFFAOYSA-N	416.428	5.193	30	20	HKED	
N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c(C(F)(F)F)c1	602758180	JGIBSXHCBGXJHQ-NRFANRHFSA-N	407.395	5.344	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1	603618906	UYVCXYVTLYFJRM-UHFFFAOYSA-N	423.969	5.239	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	603846984	VFMOOZWERDIVEM-GFCCVEGCSA-N	403.872	5.070	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccc(Br)s2)n1)c1ccccc1	606168214	AGTZNLRSUSMUAH-UHFFFAOYSA-N	405.342	5.467	30	20	HKED	
N#CCCCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1	608860440	LPVLJGKYCYTDEF-HSZRJFAPSA-N	401.441	5.279	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2F)c1	609109798	AZTRKFRHNJKXTA-UHFFFAOYSA-N	403.388	5.149	30	20	HKED	
N#CCn1c(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc2ccccc21	609215637	HCBSCTLDESSCOA-UHFFFAOYSA-N	400.385	5.046	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCCOc1ccccc1Br	609375973	RKCLRQYXQJMWFI-UHFFFAOYSA-N	419.344	5.253	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(O)nc2ccccc12	609381729	REPHUYLIHLNUHH-UHFFFAOYSA-N	417.412	5.217	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC3	609401856	CEVQXRSLUPEJLD-INIZCTEOSA-N	404.539	5.318	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1	609435153	SNJAFSRFENQAKT-IRXDYDNUSA-N	420.538	5.634	30	20	HKED	
N#C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccccc1Br	609590159	DJCZBSJXZJKIOL-LJQANCHMSA-N	411.324	5.075	30	20	HKED	
Cc1cc(Cl)cc2nc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)oc12	609750789	DXXQGRNBSYIRTN-JTQLQIEISA-N	417.943	5.331	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c3c2CCC3)cc1	613391792	BTUULLIEFLQWJV-FQEVSTJZSA-N	424.529	5.283	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	618758407	DMSFZWZIBCSJHK-HXUWFJFHSA-N	404.857	5.208	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCc2sccc2[C@H]1c1cccs1	618842205	JMHHHYNBGYLAPK-RXVVDRJESA-N	405.548	5.026	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	670062802	IONBVAZBUSIKPP-YUMQZZPRSA-N	424.263	5.022	30	20	HKED	
COc1ccc([C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)cc1	726442881	DFACXMBVDWZHOR-NRFANRHFSA-N	407.926	5.296	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cc(Cl)c(O)c(OC)c3)s2)cc1	727975131	QDVXRMKXIXIUIK-RUDMXATFSA-N	415.898	5.391	30	20	HKED	
C[C@@H](CC#N)N(C)Cn1nc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n(C)c1=S	728902274	NBFGGZRLMWLYBC-HOCLYGCPSA-N	417.648	5.022	30	20	HKED	
CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCC1	731345282	KXVIMQJZHPSHCF-UHFFFAOYSA-N	421.497	5.127	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1	731846461	ZVPPWTBRXGBJQY-SFHVURJKSA-N	423.582	5.027	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2cccc3ccccc23)ccc1OC	733639566	FXXRNFAOLDBREY-FXAWDEMLSA-N	417.509	5.090	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](c3ccccc3)C3CCOCC3)c2)c1	734508827	JUJDUIPMXLUSQX-MHZLTWQESA-N	412.533	5.395	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc(-c2ccc(F)cc2)s1)C(C)C)c1ccncc1	734684091	SCZUUYXLZFXJHW-JOCHJYFZSA-N	423.557	6.187	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)c2)s1	739594250	FYYWFPNTCMUBQL-UHFFFAOYSA-N	400.425	5.164	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(-c2cnn(C)c2)c1	741554819	LWLLXBBWCFYKGA-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
N#Cc1cc(NC(=O)/C=C\C2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1	742784945	NNEBYJBKNIQZRT-QPIMQUGISA-N	416.399	5.291	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccccc2SCC#N)cc1	742894175	WTSWAZRMIDIIKU-HNNXBMFYSA-N	411.527	5.140	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C(F)F	744038439	UVMIISQMUVSMBV-RRFJBIMHSA-N	420.246	5.718	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1	747196951	RBDWWRSVTXUNOJ-IERDGZPVSA-N	412.461	5.541	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccccc2)n([C@@H](C)CC)c1=S	749885664	UUXCYWNVYIIVQX-IBGZPJMESA-N	417.582	5.569	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)n1	750677668	HDQOZHKFWHCODR-WBVHZDCISA-N	405.361	5.295	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)cc1C#N	752304923	KPYJYBPASNXSJD-OAQYLSRUSA-N	406.486	5.113	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(C#N)cs2)c(C(F)(F)F)c1	752311204	RNNQJMDKOPMFOX-UHFFFAOYSA-N	411.405	5.238	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1F	752487161	HKKDABKOJMENIM-FZMZJTMJSA-N	418.415	5.737	30	20	HKED	
C[C@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccccc1C#N	753855569	YKBYNASQSWMJLY-JTQLQIEISA-N	407.442	5.306	30	20	HKED	
FC(F)(F)c1cc(Br)ccc1NN=Cc1cnc([C@H]2CCCO2)s1	755707641	WJDKAXRDQLZFDZ-CYBMUJFWSA-N	420.254	5.222	30	20	HKED	
CC(C)(C)c1ncc(/C=C2/COC/C(=C/c3cnc(C(C)(C)C)s3)C2=O)s1	759611810	GCVSIYKCNTUROZ-PVRNWPCDSA-N	402.585	5.261	30	20	HKED	
CCCn1ccnc1CCCN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	760050542	ZNIWNVZKXJNHPW-QHCPKHFHSA-N	415.541	5.045	30	20	HKED	
COc1ccc(COCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	760351664	RLWKIKAUSMQVRS-RUZDIDTESA-N	414.505	5.286	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1	760971317	OZLREPFITFWRQA-UHFFFAOYSA-N	415.424	5.041	30	20	HKED	
Cc1cc(Br)ccc1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	762994379	IMZAMPCCHUFDFL-QGZVFWFLSA-N	411.324	5.300	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	768146084	HXBZSEXUBXCFAZ-FQEVSTJZSA-N	415.921	5.502	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12	769543996	LJZCUVZTLWKISI-MRXNPFEDSA-N	423.900	5.091	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1/C=C1/CCc2nc(O)ccc2C1=O	769611411	ZJZYMFGTNCDTIV-YPKPFQOOSA-N	407.901	5.136	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)[C@@H]3C[C@H](C4CCCCC4)CN3C2=O)cc1	771907794	UOZDBWAHIRQRAL-QTJGBDASSA-N	413.521	5.079	30	20	HKED	
Cc1ccc(SC2CCCC2)c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1	776705724	HHVOLSHWXZNLPZ-UHFFFAOYSA-N	419.594	5.300	30	20	HKED	
CC(=NNc1nc2ccccc2cc1C)c1ccc(CNC(=O)OC(C)(C)C)nc1C	776783284	SHVYHTBYPORWDE-UHFFFAOYSA-N	419.529	5.107	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccsc3)CC2)cc1	776903691	NMHNKSAJIVCKQD-QHCPKHFHSA-N	401.535	5.815	30	20	HKED	
N#Cc1c(Cl)cccc1SCc1nnc(-c2ccc(Br)s2)o1	782918078	JULLESVCTYSWQH-UHFFFAOYSA-N	412.721	5.378	30	20	HKED	
CCc1cccc(CC)c1NC(=S)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	787195067	CQWLUXCXMXYYOM-UHFFFAOYSA-N	420.582	5.203	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1	787431564	DOAKVAAQOZHQTI-ZIAGYGMSSA-N	422.312	5.215	30	20	HKED	
O=C1/C(=C\c2ncc(C(F)(F)F)s2)CC/C1=C/c1ncc(C(F)(F)F)s1	788343570	GKBVYVVQTFWFMZ-VHOZIDCHSA-N	410.364	5.467	30	20	HKED	
N#CCOc1cccc(/C=C\C(=O)c2ccc(Br)cc2C(F)(F)F)c1	790226989	CGYRDJHCGPLFRE-DAXSKMNVSA-N	410.189	5.266	30	20	HKED	
CCc1c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cnn1C(CC)CC	791617107	SCJCNTMKDHCUMY-UHFFFAOYSA-N	403.530	5.338	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	793665660	VCRZOLCGTROSSG-KRWDZBQOSA-N	421.541	5.003	30	20	HKED	
O=C(/C=C/c1ncc(I)s1)c1cc(Cl)sc1Cl	794700114	VWTZRJALMDPFOY-OWOJBTEDSA-N	416.092	5.012	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)cc1	795770564	YTLSQIFNGMYYDO-FQEVSTJZSA-N	418.497	5.001	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSCc3ccccc3)n2)cc1	796660165	BOHSWUFXSAQMLP-IBGZPJMESA-N	403.532	5.182	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)sc2ccc(C#N)cc12	796749303	YQHUNHJJHHYLEM-LJQANCHMSA-N	409.470	5.196	30	20	HKED	
C=CC[C@H](OC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(Cl)c(Cl)c1	797553642	KEUFJAFWINPRHR-IBGZPJMESA-N	419.308	5.376	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1	798816104	HKKVCBCOBPDPHA-AUUYWEPGSA-N	416.443	5.281	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1	800577550	RBKWXVYIEMZLTK-UHFFFAOYSA-N	401.551	5.105	30	20	HKED	
Cc1oc(C(C)C)cc1C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	802800327	QBDVYMYANVHLIQ-MEDUHNTESA-N	407.297	5.218	30	20	HKED	
C#C[C@H](N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1F	809700074	XETLMBQPQQTOMG-PXAZEXFGSA-N	412.814	5.179	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(=O)c2ccccc2)c1	813217973	KYZPRZPKZZWIDE-YWZLYKJASA-N	422.406	5.311	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1	814307521	LWDGYGTUSTXWBR-BEFAXECRSA-N	423.904	5.185	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C3OCCO3)c2)cc1	819531663	GCOUBPVXIVDLRO-UHFFFAOYSA-N	416.502	5.148	30	20	HKED	
O=C(O)c1cc(NN=Cc2cc(Cl)ccc2OCc2cccnc2)ccc1Cl	914693599	ZRLQXVMOYDGLKL-UHFFFAOYSA-N	416.264	5.112	30	20	HKED	
CCOc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)ccc1O	916138374	HLYSHYKPTUFEQE-NBVRZTHBSA-N	401.487	5.824	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccco2)cc1	916208727	RCAKKKWDICTHBB-UKILVPOCSA-N	407.473	5.846	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)c1	916896978	RXSCYDFACRZDIJ-LJQANCHMSA-N	421.547	5.013	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917044231	ROOYCZIEKIBPFP-INIZCTEOSA-N	418.440	5.659	30	20	HKED	
CC(=NNc1oc(C)nc1C#N)c1ccc(-c2ccc(Br)cc2)s1	917554481	QKKQNLMVLUOWAW-UHFFFAOYSA-N	401.289	5.182	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3cccc(C(C)C)c3)n2)cc1	920138939	LYNZXOMTILBYOM-IERDGZPVSA-N	420.534	5.586	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(C(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1	920804112	LJXJYXAHVDLZOG-CYBMUJFWSA-N	422.378	5.526	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCC3)cc2)CCC1	1790514670	XZJGPOBTZSEXRS-MDWZMJQESA-N	402.485	5.078	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)C3(C)CCCCC3)cc2)CCC1	1791531351	IIBNJNQHDAAQHU-UHFFFAOYSA-N	400.588	5.010	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)C1	1823697555	AYCLDSBUPLIAHZ-RPBOFIJWSA-N	422.613	5.012	30	20	HKED	
Cc1ccccc1-n1c(SC[C@@H](C#N)CCC#N)nnc1-c1c[nH]c2ccccc12	15234456	KTZUQQKNDQLXTJ-QGZVFWFLSA-N	412.522	5.260	30	20	HKED	
O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cc(F)c(F)c(F)c1F	18235213	OODMWWXODVLPBL-UHFFFAOYSA-N	410.270	5.004	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc(-c3ccccc3)nc21	26122836	CKLAYNUXOZLNPU-QGZVFWFLSA-N	409.493	5.042	30	20	HKED	
Cc1c(C#N)c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nc2c1CCC2	45795651	KPAXRHFZYJLTEO-UHFFFAOYSA-N	416.428	5.112	30	20	HKED	
C[C@H](Nc1snc(Cl)c1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1	52314194	PKEIDSHDXQPEFH-LBPRGKRZSA-N	414.893	5.162	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)Nc1ccc(C#N)cc1	63785485	ORQNUOSIKQRQHL-UHFFFAOYSA-N	406.461	5.229	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc2cc(Cl)ccc2s1	64792071	IRUKWXKKQWFMDK-CYBMUJFWSA-N	413.289	5.279	30	20	HKED	
COc1cc(CN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1SC	97547909	ULKSWVIESQLTAP-UHFFFAOYSA-N	418.518	5.353	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1F	215716474	FYSDKIINLBSMND-HNNXBMFYSA-N	421.501	5.482	30	20	HKED	
COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)cc1OC	254350143	ORMYSUGOEIYAKT-UHFFFAOYSA-N	416.506	5.174	30	20	HKED	
CCN(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1	303405988	PZXPLAUVBPRMLE-VWLOTQADSA-N	413.521	5.077	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(-c2ccoc2)n1	303883037	RDCXCPILHCRJAP-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
Cc1c([C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C(C)C)oc2ccccc12	432492499	GOJGXKYPPOKOLW-XMMPIXPASA-N	417.509	5.235	30	20	HKED	
N#CCSc1cccc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)c1	433730790	MYXGUWDTCNUQSK-UHFFFAOYSA-N	413.340	5.147	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cc(C#N)cn1C	434120071	SCRHWHKMVZKRBD-UHFFFAOYSA-N	415.472	5.194	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1F	434227725	LESNRYRLFXOUDO-ZDUSSCGKSA-N	407.367	5.296	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cc3)CC2)c1	435267951	LIMHMYRFAPRZRT-UHFFFAOYSA-N	414.415	5.050	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1	435657802	YICQECASRPRGRN-CYBMUJFWSA-N	411.449	5.138	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C	437475947	CZRIPIRKCASKOC-YJYMSZOUSA-N	423.340	5.483	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	443938176	AJWWPCXRPGZBMD-UHFFFAOYSA-N	421.888	5.233	30	20	HKED	
COc1ccc(SCCCC(=O)N(Cc2ccco2)c2ccccc2C#N)cc1	445591397	HOGZAKJOSFQRSY-UHFFFAOYSA-N	406.507	5.266	30	20	HKED	
Cc1cccnc1C(C)(C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	461453087	MAWHRTAUCGYFGG-UHFFFAOYSA-N	415.562	5.262	30	20	HKED	
CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCCCSCC#N)o3)cc2C1	466604275	MQGVVTIDTGBHHC-AWEZNQCLSA-N	407.630	5.688	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	466895305	YUQFBJOFEVDNIJ-RXVVDRJESA-N	400.478	5.139	30	20	HKED	
N#C[C@H]1N(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CCC[C@@]12CCCCO2	468657919	DZUAHJHVHKOIRW-GGAORHGYSA-N	410.901	5.200	30	20	HKED	
COc1ccc2[nH]c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2c1	469350392	SRMUBHRCLDQMFT-UHFFFAOYSA-N	411.461	5.074	30	20	HKED	
C[C@H](CN(C)C(=O)c1ccc(C2(C#N)CC2)cc1)Oc1ccc(Cl)c(Cl)c1	469526981	IURWJVCITRRSBZ-CQSZACIVSA-N	403.309	5.088	30	20	HKED	
COc1cccc2c1CC[C@@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1	470715476	ZZGYVUPIVTURSV-QFIPXVFZSA-N	414.530	5.276	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c(C)c2)c1	470903802	MHPIEPLICAKUQA-QHCPKHFHSA-N	409.489	5.075	30	20	HKED	
Cc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccccn2)cc1	472500418	MYLYSBCPQKPBTL-RUZDIDTESA-N	412.537	5.219	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl	477475222	XNLXIJAWDVWWRK-UHFFFAOYSA-N	424.932	5.029	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)cc1	477913015	QPSHVRAMOGTMGY-FQEVSTJZSA-N	409.470	5.645	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1	479666713	NONFAOMSVFDOHY-CYBMUJFWSA-N	406.349	5.017	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)o1	480563406	LZUKMYKZTADBMA-QKLQHJQFSA-N	411.571	6.241	30	20	HKED	
CCN(C(=O)Cc1ccc(C#N)cc1)[C@H](c1cccnc1)c1csc2ccccc12	480937689	FWCGXFDYQCVIIX-RUZDIDTESA-N	411.530	5.349	30	20	HKED	
CC(C)CN(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@@H]1CCCc2cccnc21	480979495	MOVCOQZLKFWKDZ-OAQYLSRUSA-N	406.530	5.308	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CSc2ccccn2)c1	481212176	WTBPRGDZXFBLID-UHFFFAOYSA-N	403.507	5.042	30	20	HKED	
C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(NC(=O)c2ccncc2)cc1	481661218	RZBMJWXMGCLYOK-IQGLISFBSA-N	410.521	5.324	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc(-c3ccco3)nc21	483198333	LMDSTVKUCKZEGE-IBGZPJMESA-N	421.460	5.310	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1ccccc1	483796218	CTWCKVIPEBFKNC-CYBMUJFWSA-N	411.221	5.494	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	483910060	CVDCNVZOTCQXIB-HXUWFJFHSA-N	407.558	5.500	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1	485462504	DULNESJFVWHHAY-UHFFFAOYSA-N	407.495	5.116	30	20	HKED	
CC(C)Cn1ncc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C1CC1	497653631	ZMGAGZJPEXMAER-UHFFFAOYSA-N	413.525	5.277	30	20	HKED	
C=CCn1c(SCc2nc(C)c(C)o2)nc2scc(-c3ccccc3)c2c1=O	498067526	LVDONCZQRAPJGH-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1C	502665744	HLCBNCPQBFGQJI-UHFFFAOYSA-N	422.254	5.025	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	503188320	ISURFZCRWXQSFD-BJKOFHAPSA-N	419.484	5.949	30	20	HKED	
N#C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1cccc(Cl)c1Cl	505302791	ZJBVMVIELXQCHK-HNNXBMFYSA-N	404.322	5.307	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1Br)c1ccc(OCc2ccccc2)cc1	505321807	YXFVQTPMUKRWCC-OAQYLSRUSA-N	421.294	5.023	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1Cl	505627680	AACVMMBRDMZRRW-KRWDZBQOSA-N	402.306	5.040	30	20	HKED	
CCSc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	505759411	ZMHSWBKXDWPGRB-UHFFFAOYSA-N	404.539	5.445	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1	505833828	QOBSNMMVONTAFO-HXUWFJFHSA-N	405.473	5.092	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cccc3[nH]ccc23)cc1	506243717	NAWVDRAVTSUQDS-UHFFFAOYSA-N	411.530	5.304	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1	507893588	YIIBCQZCKRSPQA-QHCPKHFHSA-N	414.461	5.161	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1	508275624	QFRCDSUJOFEQMO-LJQANCHMSA-N	403.438	5.151	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2cc(F)ccc2C1	510102245	GEHXZSRADWYFRA-UHFFFAOYSA-N	415.468	5.175	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(F)cc2)cc1	513061900	DGGDUSTWBWTBLY-HSZRJFAPSA-N	417.484	5.547	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C(C)(C)C)cs1	513238995	STEBKHPOLQOXCF-INIZCTEOSA-N	419.550	5.382	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	515133814	YVTYKVHVKGVBSE-HSZRJFAPSA-N	401.535	5.604	30	20	HKED	
N#CC1CCN(c2nnc(Cc3cccc4ccccc34)n2CCc2ccccc2)CC1	515358071	NCDBHHRNGDBULU-UHFFFAOYSA-N	421.548	5.005	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1ccccc1	519450301	ZVCSYODVEVPCEV-AUSIDOKSSA-N	415.562	6.044	30	20	HKED	
COc1ccc(COCc2cccc(Nc3nc(C(F)(F)F)ccc3C#N)c2)cc1	522416086	SXEXKSMEIKNCJH-UHFFFAOYSA-N	413.399	5.441	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccccc1C	532634373	KSTJSRGZURZXSV-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1	533294749	DDASLWOAWHQCBG-HOCLYGCPSA-N	416.616	5.040	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C(F)F	534642506	LDYBSDJEFJYNIF-UHFFFAOYSA-N	410.424	5.393	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl)c1ccccc1	536244795	RWTKRFRUYZOJLI-SFHVURJKSA-N	418.924	5.915	30	20	HKED	
CC(C)c1cccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)o2)c1	537383953	OXXIRWMBRYMPEL-LJQANCHMSA-N	413.502	6.079	30	20	HKED	
COC(=O)[C@H](N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1cccc(C#N)c1	538322020	JWFYRYRTWOJJSE-RBUKOAKNSA-N	422.834	5.185	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ncccc1C(F)(F)F	539940913	SOTVENWDLOEDEE-UHFFFAOYSA-N	419.350	5.377	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc(F)ccc1F	540460313	INCYZXREPCXYJH-KDOFPFPSSA-N	403.498	5.038	30	20	HKED	
N#C[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)c(Cl)c1	542501856	BAZJQGGQJKGSLO-INIZCTEOSA-N	420.296	5.180	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1	543210855	NYGLMXCJVSBXPI-OAQYLSRUSA-N	423.438	5.222	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	546929906	PAPLEFNJNJJFKC-ZETCQYMHSA-N	418.288	5.070	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@](F)(c2ccccc2F)C1	554909325	CFNREYLFZMYJFU-YCRPNKLZSA-N	401.482	5.323	30	20	HKED	
N#CCCC[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	560564714	MXXSCJNJQGMJAK-FQEVSTJZSA-N	415.484	6.354	30	20	HKED	
CCc1c(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1C(CC)CC	568687049	JFEPVTVVQCWYJG-UHFFFAOYSA-N	418.501	5.510	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	569275148	AFJYKWRUYHEUIA-BEFAXECRSA-N	413.447	5.132	30	20	HKED	
Cc1nc(-c2cccc(-c3noc(CSCc4ccc(C#N)cc4)n3)c2)cs1	574562774	DWZWIQAZLURUHO-UHFFFAOYSA-N	404.520	5.474	30	20	HKED	
N#CC[C@H](Cc1nc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)no1)c1ccccc1	578916553	ZDEJEUYGTSLZHL-HXUWFJFHSA-N	405.461	5.520	30	20	HKED	
Cc1sc(C2(N[C@H](C)c3ccc(C#N)c(F)c3)CCC2)nc1-c1ccccc1F	583684060	BEYUMGFWSRZKCI-CQSZACIVSA-N	409.505	5.998	30	20	HKED	
CCOc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1OC(F)F	589323646	ORPGVSNJECHSIA-UHFFFAOYSA-N	411.408	5.358	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccccc1	590476548	ZNJGLXKIGSVKQL-QGZVFWFLSA-N	411.477	5.913	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1	603733593	DRKDCWHXLYLEDD-UHFFFAOYSA-N	404.491	5.231	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CC#N)c1ccccc1	604489162	CDOCWOCWPVZUTF-UHFFFAOYSA-N	401.413	5.308	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)c1occc1COc1cccc(C#N)c1	608804580	BFNXZJNAGLYAAN-UHFFFAOYSA-N	410.857	5.425	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1cccs1)C1CC1	609077989	AGCUQSAPSJBPPK-HSZRJFAPSA-N	417.534	5.780	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1	609434888	XKFHVOQJXIZNPT-MDZRGWNJSA-N	409.555	5.994	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1	609552409	XTRAOGNHZOWGAX-UHFFFAOYSA-N	419.569	6.317	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CSC2CCOCC2)c1	609715258	RMTDRLCRIGUMML-UHFFFAOYSA-N	421.566	5.191	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[C@@H](c2nc3ccccc3s2)C1	610246737	VFENHSVFSSQEJO-CYBMUJFWSA-N	406.461	5.378	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2cccc3ccccc23)C2CCCC2)c(F)c1	610402117	AAEHKRCHAWVVPZ-UHFFFAOYSA-N	401.485	5.505	30	20	HKED	
CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	610674433	PLTMVHSTRQVXGU-HKUYNNGSSA-N	408.571	5.201	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ncc(Cc3ccccc3F)s2)c(Cl)c1	611093503	JHKCOKRKUCCKQD-UHFFFAOYSA-N	406.269	5.304	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	611384955	CFYZANNHGMQDJA-CQSZACIVSA-N	415.471	5.334	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	618852558	HBYLSUWCVRPWFK-HXUWFJFHSA-N	401.432	5.185	30	20	HKED	
C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@]2(CCOC2)C1	670201628	YZNUQOACFGQRAC-OAQYLSRUSA-N	414.962	5.006	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)cc1NC(C)=O	726428102	FBSWZZBEBICOAM-NTMALXAHSA-N	418.474	5.419	30	20	HKED	
Fc1ccc(-c2nc3c(s2)C(=NNc2ccc(C(F)(F)F)cn2)CCC3)cc1	727684642	VXHAWWSSLFFWMN-UHFFFAOYSA-N	406.408	5.516	30	20	HKED	
N#CCCN(CC1CC1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1	728870278	ADBJOMGBZWUUIK-UHFFFAOYSA-N	407.564	5.354	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1	730061424	UKXKPVFFSFZWEZ-NVQXNPDNSA-N	409.533	5.829	30	20	HKED	
N#C[C@@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc2cc(F)ccc2s1	730416148	BACIHDXRFMJLHB-KGZWWPETSA-N	422.481	6.053	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)NCc1cccc(C(F)(F)F)c1	731321741	RFPBRJQOXHTDSB-CYBMUJFWSA-N	409.502	5.586	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCc3sccc3[C@H]2C)c1=S	732526937	ZYPRNIDDDFJNIP-CQSZACIVSA-N	400.548	5.044	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)nc2ccccc21	732594056	ZEDSLMYHCDZMDZ-DNVJHFABSA-N	421.500	5.132	30	20	HKED	
CC(C)(Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	733052556	LWABJNUEZJKNOQ-CQSZACIVSA-N	405.306	5.637	30	20	HKED	
C=CCn1c(SCc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(F)cc1	735415937	UJAXXPMGLOEOCP-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cc(Br)ccc3F)c2)s1	739594090	CYHQSOVCRYGFHT-UHFFFAOYSA-N	415.287	5.118	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(C4SCCS4)cc3)c2)s1	739597677	BYDHQRIKRHXYEP-UHFFFAOYSA-N	422.600	5.695	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1c(F)cccc1N1CCOCC1	741448197	SGXOBKAZRBDTNA-SDNWHVSQSA-N	417.480	5.137	30	20	HKED	
Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(S(C)(=O)=O)c(F)c3)cc2)cc1	741846891	IUBSNXDYGUFOBG-UKTHLTGXSA-N	424.493	5.013	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)c2sc3cc(Br)ccc3c2Cl)c1	742733586	DUPMPORKWPPLEU-UHFFFAOYSA-N	423.694	5.258	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)/C=C\c2cnc3ccccc3n2)cc1F	742962711	OVFDQONTUOQLRX-BENRWUELSA-N	410.408	5.085	30	20	HKED	
Cc1ncsc1C(=O)/C=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	745626059	ICJOULNROPPOQO-VURMDHGXSA-N	400.843	5.702	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccccc2Cl)cc1	747109596	XZBSFXOLRUYIQN-QGZVFWFLSA-N	420.852	5.102	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2ccnc3cc(C(F)(F)F)ccc23)ccc1OC	751888264	DCHXDVWMSIJJFM-MRXNPFEDSA-N	415.415	5.555	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccn3)s2)CCOc2cc(Br)ccc21	753144328	ZDXLFRVQYCUEIK-FMIVXFBMSA-N	413.296	5.016	30	20	HKED	
O=C(/C=C\c1ccc(OC(F)F)c(F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	754686889	WQKPEGWWJKPJGF-WZUFQYTHSA-N	424.440	5.040	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2N(C)C2CCCC2)c1	762226685	UPMDYOJMNACTIU-HXUWFJFHSA-N	406.530	5.068	30	20	HKED	
N#CCc1ccnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1	764205213	FUAFOWUMKSANGB-UHFFFAOYSA-N	404.882	5.330	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	767165579	BFPMECKNCZCFPA-UHFFFAOYSA-N	407.244	5.145	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(SC(F)F)cc2)c1C(F)F	769029732	ZCYFMRVRXFUCEA-UHFFFAOYSA-N	415.334	5.426	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cccc(F)c2F)cs1)c1ccc(F)cc1F	776268982	XZQXJKKNFGYMNX-SOFGYWHQSA-N	420.387	5.280	30	20	HKED	
C[C@H](N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)cc1F	779082228	KLUGSHRPWVPVFX-OYHNWAKOSA-N	409.505	5.773	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	780162810	JDQGMUKKKVSGEM-SNVBAGLBSA-N	424.831	6.117	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2ccc(Cl)cn2)cc1C	781607124	HJFPCKPJYSEKSS-INIZCTEOSA-N	408.889	5.047	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(Cl)c(C#N)c3)cccc2c1=O	787093902	PUUJKEQXIWYSMR-UHFFFAOYSA-N	414.848	5.546	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccccc1OC)c1nccn1C	789454838	GMEMBSXKDGNLLB-QHCPKHFHSA-N	418.541	5.192	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1nccc2ccccc12	792100275	DIGLREYXZNSRCP-NLFFAJNJSA-N	412.489	6.084	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1nc2ccccc2s1	796752500	IAZNHRVJVMDOMM-CQSZACIVSA-N	415.287	5.106	30	20	HKED	
C#CCOc1ccccc1-c1noc(-c2ncoc2-c2cccc(C(F)(F)F)c2)n1	809395178	CZIPZCSQUJRROX-UHFFFAOYSA-N	411.339	5.089	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1	809889074	QHYHIMDADZNJJY-BLVKFPJESA-N	404.297	5.557	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1	915352236	GJCLSJAXTGTRGA-JOCHJYFZSA-N	423.438	5.725	30	20	HKED	
CC(C)(C)SCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	915650086	OOKWFJKYEGHLKJ-UHFFFAOYSA-N	413.490	5.095	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1	916626556	RTQGXJMCYFUZKK-QFIPXVFZSA-N	408.461	5.319	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C	916899017	HPGDKWPBWHLFRC-QFIPXVFZSA-N	424.500	5.980	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COc2cccc3ccccc23)cc1	916952990	AAWUBNSMABNTKW-HTAPYJJXSA-N	400.478	5.080	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(C)n(C2CCCCC2)c1C	917029777	MMOAVZRTRVKFLR-UHFFFAOYSA-N	423.586	5.438	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)ccc2c1	917042649	CQAKCMNMBHHQSK-DPAQFELZSA-N	418.905	6.001	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	919904400	KRCXBLMLYBFLEL-IERDGZPVSA-N	423.438	6.244	30	20	HKED	
CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)c1cc2ccccc2o1	919904469	ODECRGNGFFXFGF-YADARESESA-N	423.516	6.703	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COC(c1ccccc1)c1ccccc1	920106083	RIHSTLXVOIMBTH-JOCHJYFZSA-N	422.484	5.174	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCSC3)CCC2)cc1	1789455649	YYHPORKBSJZFAY-NQIIRXRSSA-N	412.599	5.032	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3sccc3OC)CCC2)cc1	1789456411	SWRNUEWNPUWOIZ-IBGZPJMESA-N	424.566	5.273	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccnn3C(C)C)cc2)CCC1	1789797947	YBYXNWAWBIYWMG-UHFFFAOYSA-N	422.573	5.204	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1	1822104233	HJRNQVSAEQQQOQ-ANTGDGSKSA-N	414.594	5.076	30	20	HKED	
C=C1C[C@@]23CC[C@H]4[C@@](C)(CC[C@@H](OC(=O)/C(C)=C\C)[C@@]4(C)C(=O)O)[C@@H]2CC[C@H]1C3	1857791572	HCVOJPQEMAKKFV-NJZODYAQSA-N	400.559	5.528	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1	5497705	AGTDDVPODPNJDL-UHFFFAOYSA-N	400.689	5.401	30	20	HKED	
C=CCn1c(SCc2ccccc2OC(F)F)nnc1-c1ccc(OC)cc1	11009042	XMHFMEMQKHXGDR-UHFFFAOYSA-N	403.454	5.033	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccccc2CC)cc1	11083344	INVMFWCHRIVBCV-UHFFFAOYSA-O	421.561	5.597	30	20	HKED	
Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3s2)n(C2CCCC2)c1C	12480592	ZIIYGVKZVUJKOI-UHFFFAOYSA-N	421.522	5.102	30	20	HKED	
C#Cc1cccc(NC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)c1	25960658	UOQNVKVODDGGGE-UHFFFAOYSA-N	404.516	5.724	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1	58451861	IGEMIKKQFDLVGP-UHFFFAOYSA-N	405.420	5.089	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(OC(F)F)c3)cc2)cc1	65374840	PIXIZGCRWOEIGZ-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1Cl	105559441	LBERUUMBKCPFPD-UHFFFAOYSA-N	421.831	5.535	30	20	HKED	
COc1ccc(/C=C2/N=C(SCCCCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1	195552641	DECXIPQDGQYNKG-CJLVFECKSA-N	419.550	5.483	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1occc1COc1cccc(C#N)c1	303130135	KDQGQFRWRYGASR-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
CN(C)Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)oc2ccccc12	303592940	VPGKHTIUOSPEHY-UHFFFAOYSA-N	411.461	5.411	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3Cc3cccc(F)c3)c2)c1	303646756	SKDROCXDHFROGQ-DEOSSOPVSA-N	414.480	5.124	30	20	HKED	
Cc1ccc([C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	303781893	SQQOSUXKFSMGIH-IBGZPJMESA-N	400.547	5.693	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3CC(F)(F)F)c2)cc1	303955743	APCLGQAWGIHNRB-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)c(Cl)c1	426126234	GWFHGOBGBCWTFM-KRWDZBQOSA-N	404.695	5.343	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2ccccc2n1CC(F)(F)F	426671629	MZKNMHWPJPBDGD-QUCCMNQESA-N	411.427	5.116	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(Oc4ccccn4)c3)c2)cc1	437461802	WONILUAPLDORCZ-UHFFFAOYSA-N	406.445	5.741	30	20	HKED	
CN(C)CCc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	438556400	ZAUOVSCXHSQDCZ-UHFFFAOYSA-N	401.535	5.066	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2ccccn2)c1	439400335	ZGCUGJPICIUGEA-QGZVFWFLSA-N	402.523	5.465	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	441542665	FLZQOBPJZZNFHZ-SFHVURJKSA-N	408.395	5.240	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc(C(F)(F)F)c1F	443533755	PWJFMBGXHHASDS-LLVKDONJSA-N	411.305	5.388	30	20	HKED	
C[C@@H](C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(C#N)c1	462593826	OKLJOAIGWSNOIE-BDJLRTHQSA-N	400.322	5.100	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2SCCc3sccc32)cc1	463289686	SYYDJDZTFXEZJP-JOCHJYFZSA-N	422.550	5.318	30	20	HKED	
CCOc1c(F)cccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	463377068	SBKFWBXPQFMKDZ-LJQANCHMSA-N	408.860	5.786	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	463462225	UYBRKFKZTLAJSP-UHFFFAOYSA-N	408.926	5.354	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464409313	GJDAKJCZAPKTCF-AWEZNQCLSA-N	405.763	5.207	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464463515	RHAPVYDSHPUMDQ-LJQANCHMSA-N	424.378	5.044	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1OC	465586997	BBBSQDKJJTVAIM-BWAGFHJFSA-N	421.541	5.026	30	20	HKED	
C=C(C)C[C@H](C)C(=O)Nc1ccc(N(C)C(=O)[C@H](C)CC(=C)C)c(Br)c1	466870112	IZBXSQYRZZXIFI-JKSUJKDBSA-N	421.379	5.555	30	20	HKED	
CC(C)(C)OC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	469698099	OFFFVEGWSZXLCI-UHFFFAOYSA-N	411.477	5.301	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc4nccnc4cc3F)c2C#N)C1	470748402	WGWKFNANDNXUOT-GFCCVEGCSA-N	408.502	5.105	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1CCN(c2ccccc2)CC1	471278644	UOZMVKUBPKCYPR-SFHVURJKSA-N	408.571	5.119	30	20	HKED	
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	474975206	XTQKIFASNVAIAZ-QZTJIDSGSA-N	417.553	5.167	30	20	HKED	
CN(Cc1ccc(Br)cc1Cl)C(=O)C[C@@H](CC#N)c1ccccc1	477025210	MQNUGUIBWCLZFV-OAHLLOKOSA-N	405.723	5.148	30	20	HKED	
CN(Cc1ccccc1NCc1ccc(C#N)c(F)c1)C(=O)c1cc2ccccc2o1	479481603	QPWQVNFQVCLZCG-UHFFFAOYSA-N	413.452	5.328	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1cccs1	481401006	NSTKGISARVMIEY-ZDUSSCGKSA-N	416.597	5.034	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482454032	XJSXGDRYKVVIBF-SUMDDJOVSA-N	423.385	5.050	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2F)n1	483218522	DSCKGPCWBWFTTO-SFHVURJKSA-N	416.481	5.242	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)c1	483709417	JOOINSPMYQPDRI-UHFFFAOYSA-N	413.346	5.146	30	20	HKED	
CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n[nH]1	486139638	VTTYCCPDKZXGNB-ZBFHGGJFSA-N	418.501	5.173	30	20	HKED	
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1C(C)(C)C#N	487406042	DWPLBJQMANPJBL-UHFFFAOYSA-N	417.475	5.356	30	20	HKED	
COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	488312861	LUVDCLLIXMOTKI-KXBFYZLASA-N	417.962	5.443	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccccc1	488346127	KNMBRNGRMVDMCQ-LJQANCHMSA-N	405.885	5.286	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)c4ccncc34)cc2)nc1	490607049	YTUJYKQFDWIZJL-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C=CCN(C(=O)c1ccnn1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	499315901	YWHDSIXISVZKKD-UHFFFAOYSA-N	400.507	5.043	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1	505046282	RGYIFKFGRQZQJW-UHFFFAOYSA-N	404.457	5.469	30	20	HKED	
CCCn1nccc1C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	505324334	GECHOHKNSNWYGY-KRWDZBQOSA-N	411.575	5.099	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1	507787857	VMRDGJJPOXINIJ-UHFFFAOYSA-N	418.394	5.250	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1C(F)(F)F	511725010	QEQMDMMTNYNXML-CYBMUJFWSA-N	413.264	5.340	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2oc3ccccc3c2c1	514428274	FJAKMYZIJCDZCE-UHFFFAOYSA-N	400.434	5.264	30	20	HKED	
O=C(N[C@H]1CCC[C@H]1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	514884262	ITIUOVLJVRBOGG-QVKDUERDSA-N	415.393	5.116	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1	515282166	NBGWKLNCNZADAJ-UHFFFAOYSA-N	404.457	5.001	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C	517353932	XGWKXMNOXXXBBX-UHFFFAOYSA-N	407.583	5.066	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Br)c3)n2)cc1	517800905	OAFPNHOUJQZHLW-ZDUSSCGKSA-N	419.325	5.133	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1	518241047	STDCXOQEIMGWEJ-HNNXBMFYSA-N	424.501	5.231	30	20	HKED	
COc1cc(CS[C@H](C)c2nc(C(C)C)no2)ccc1OCc1cccc(C#N)c1	519845234	LQVWMNMHEBFEDQ-MRXNPFEDSA-N	423.538	5.647	30	20	HKED	
N#CCc1ccc(NC(=O)CN[C@H](c2ccccc2)c2ccc3ccccc3c2)cc1	520270311	FSCISFUGZOPQBA-HHHXNRCGSA-N	405.501	5.224	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)nc2ccccc21	520750349	YHXLCOSJVFCDNJ-HNNXBMFYSA-N	423.444	5.393	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)n1	521797616	RBJZYJSJQKRZKA-SFHVURJKSA-N	404.539	5.065	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCCOC3CCCCCC3)c2)cc1	522838948	AUMCIEHQQYHUBR-UHFFFAOYSA-N	421.541	5.193	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	523516804	YZRXBIDBCIICGR-JOCHJYFZSA-N	415.493	5.658	30	20	HKED	
CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	524378232	KTWNDPWZCHPDQH-NRFANRHFSA-N	404.466	5.010	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[nH]c2c1	524498272	SQQMQXDVLKYGTR-UHFFFAOYSA-N	415.424	5.019	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c(F)c1	525176203	RGIUKDNMQYRZRW-QHCPKHFHSA-N	408.860	5.001	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	525339377	RATWEQHQSDGGGU-QGZVFWFLSA-N	418.518	5.265	30	20	HKED	
Cc1ccc([C@@H](CCn2cncn2)NCc2ccc(-c3ccccc3C#N)cc2)cc1	526117904	NATBPVTVBJHIDW-AREMUKBSSA-N	407.521	5.046	30	20	HKED	
Cc1ccc([C@H](CCn2cncn2)NCc2ccc(-c3ccccc3C#N)cc2)cc1	526117905	NATBPVTVBJHIDW-SANMLTNESA-N	407.521	5.046	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@](C)(C#N)CC(C)C	533877641	BGJLAMVYMFDCAU-FQEVSTJZSA-N	403.935	5.020	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)N(CCC#N)Cc2ccco2)c1C	534014302	SPMRYQVMAWWYCR-UHFFFAOYSA-N	419.481	5.123	30	20	HKED	
COc1ccc(CNc2ccc3c(c2)nc(C(C)(C)C)n3C)cc1OCCCC#N	534095360	ZNHVWIJCLKMZSB-UHFFFAOYSA-N	406.530	5.174	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	536912448	VKAPDBMDCZDATO-SFHVURJKSA-N	414.509	5.286	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl	538187555	JPOVBDFGUDBOJR-ZHRRBRCNSA-N	415.990	5.517	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12	545297868	HOHSDVUCIRAHKM-UHFFFAOYSA-N	418.478	5.009	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)c(F)c1	552684922	YYBZGAWALFPIRO-UHFFFAOYSA-N	416.452	5.173	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3cccc4ccccc34)CC2)c(F)c1	552687394	JNOGHQLNMACNBF-PKTZIBPZSA-N	414.480	5.024	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)N(CCC#N)c2ccc(F)cc2)c1	554286449	HSRCYVGYADMNHE-UHFFFAOYSA-N	402.469	5.203	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)N[C@@H](c1cccc(F)c1F)C(F)(F)F	555021758	JFTSXWHFXHJPSL-ZDUSSCGKSA-N	414.252	5.130	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(F)c1Cl	560837575	TULSWGIOLRTNDG-CYBMUJFWSA-N	408.951	5.745	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl	561161803	JRSFGKPPVSOBOG-ZIAGYGMSSA-N	422.381	5.534	30	20	HKED	
C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	562132264	MXCVPWIKFDBDGC-KKSFZXQISA-N	424.932	5.094	30	20	HKED	
Cc1cc(Cl)c2ccccc2c1NC(=O)N(C)CCOCc1ccc(C#N)cc1	569502698	PDNDZTQSXZZARG-UHFFFAOYSA-N	407.901	5.354	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	581779076	LMSJPVZKTWLIHZ-INIZCTEOSA-N	418.312	5.069	30	20	HKED	
Cc1cc(Cl)c2ncc(C#N)c(NCc3ccc(COC4CCOCC4)cc3)c2c1	583512092	OHCHYEIZQBYCKS-UHFFFAOYSA-N	421.928	5.376	30	20	HKED	
N#CCc1ccccc1NC(=O)c1ccc(COc2ccccc2Br)cc1	588988376	GMQTXUMLKGGSFT-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
N#Cc1ccc(Sc2ncc(-c3ccccc3)n2Cc2ccco2)c([N+](=O)[O-])c1	590829928	KATZYNFMISQQIR-UHFFFAOYSA-N	402.435	5.122	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(-c2ccc(OC)cc2)nc1C	603519081	SZKKHBLEKXBZTQ-UHFFFAOYSA-N	405.523	5.051	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)sc2cccc(F)c12	603624110	RUILKCXKAPFZCY-UHFFFAOYSA-N	403.438	5.660	30	20	HKED	
C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(F)cc1Cl	604044391	KOZYCCPVECGPJV-HNNXBMFYSA-N	423.875	5.369	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)n(-c4ccccc4)n3)[nH]c12	605362385	DUBRQPLJZQCLLU-FQEVSTJZSA-N	417.472	5.214	30	20	HKED	
CCc1c(C)sc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1C#N	609033218	VRFAJTIZXWYXSC-UHFFFAOYSA-N	403.866	5.499	30	20	HKED	
CC(C)CN(CCc1ccc(F)cc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056123	AZPMCEIVGHLBFP-UHFFFAOYSA-N	420.484	5.210	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)cc4nc[nH]c34)cc2Cl)c1	609072995	QMUDWUVTCYYHMP-UHFFFAOYSA-N	420.831	5.058	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c1	609082477	LXUDEMKRSUJHPI-CYBMUJFWSA-N	423.822	5.191	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1COc1ccccc1	609377590	XMXYNVHQICHYRQ-GOSISDBHSA-N	402.519	5.770	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(Cl)c1Cl	609435101	PAJNYCKYWAUJEQ-CYBMUJFWSA-N	408.354	6.052	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1	609552489	DZJSYHCKAASRMB-UHFFFAOYSA-N	416.481	5.089	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCc2ccccc21	609556407	GKGPOIDXZDDNEQ-JOCHJYFZSA-N	411.505	5.297	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1Oc1ccncc1	609663024	QGBIYELCDHTGLA-IBGZPJMESA-N	412.276	5.484	30	20	HKED	
C[S@@](=O)Cc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	609724582	BWUAHHITSPIACZ-GDLZYMKVSA-N	424.909	5.135	30	20	HKED	
CCOC(=O)Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	609982814	IHQQGZBXVXFANE-UHFFFAOYSA-N	416.502	5.067	30	20	HKED	
CS[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	610040406	OZGJCLLTRXLOJW-UNMCSNQZSA-N	406.938	6.038	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1cccc(C#N)c1	610348138	POAAPUPYGIVWHY-DLBZAZTESA-N	403.457	5.611	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@H]2[C@@H]3C(F)(F)F)c1	610494703	MMXORLBXEOZSRP-JQHSSLGASA-N	406.791	5.027	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1C(C)(C)C	613407521	XBTJNVMAXKHJLS-CYBMUJFWSA-N	400.935	5.515	30	20	HKED	
COc1ccc2cccc(Cc3noc([C@@H]4CCCN4c4ccc(C#N)cc4)n3)c2c1	615133130	MNMRYJLSHXKYRH-QHCPKHFHSA-N	410.477	5.035	30	20	HKED	
Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2ccc(F)cc12	642158430	UYWFITOZUUNMGN-IAZYJMLFSA-N	411.317	5.520	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F	642474553	QIQIHSYJAVFKOM-UHFFFAOYSA-N	423.460	5.336	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](c2cccs2)C2CC2)cc1OCC	642972738	INCWMTCHGAHRSP-LJQANCHMSA-N	422.388	5.715	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1oc2ccccc2c1CS(C)(=O)=O	682803892	XZJQSVUTFFGIRJ-UHFFFAOYSA-N	411.523	5.082	30	20	HKED	
COc1cc(F)c(F)cc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	685675817	WAIDFUSQFANCNS-HTQZYQBOSA-N	420.300	5.004	30	20	HKED	
CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2)cc1	726572355	ZRQQJLYYASAHSI-UHFFFAOYSA-O	420.945	5.385	30	20	HKED	
C#Cc1cccc(N(C)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1	728481414	DZBVDPSGOBLCCP-HNNXBMFYSA-N	410.926	5.261	30	20	HKED	
N#CCOc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1	729240742	JOFVXCAGEJRRNO-UHFFFAOYSA-N	412.518	5.053	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccccc1C#N	730954894	NRMJOMGFCHTBHU-UHFFFAOYSA-N	406.458	5.392	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccoc1COc1ccc(C=O)cc1	731599912	OEULYMGRRPNQKZ-UHFFFAOYSA-N	415.898	5.214	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NC2(c3ccc(Cl)cc3)CCCC2)c1	733847174	KHVPFOMHBJKIPW-HXUWFJFHSA-N	411.933	5.290	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(CSCc2ccccc2)c1	734818363	YQAXVWXKJTUVBT-UHFFFAOYSA-N	404.560	5.988	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCOc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	735597146	XOXMSGIXINBULJ-UKRRQHHQSA-N	410.445	5.221	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1	739154617	LFMPKEFVQPDBMQ-RDTXWAMCSA-N	412.917	5.061	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=S)Nc3ccc(OC(F)F)cc3)c2)s1	739436373	ADGGBIXCSZDCCK-UHFFFAOYSA-N	415.490	5.375	30	20	HKED	
CC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1OC	740052471	QKODAGYVLZRDIA-HXUWFJFHSA-N	405.523	5.246	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1F	741846494	GSWQHCYJQSARPS-CLFYSBASSA-N	404.846	5.039	30	20	HKED	
CC(=NNc1ccc(Br)c(C)c1)c1sc(-c2cccnc2)nc1C	747611598	VMHKGUFVJVWSMS-UHFFFAOYSA-N	401.333	5.421	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2ccccc2OCC#N)c(C(F)(F)F)c1	748655718	DHVFCPSEQNNEHC-ZDUSSCGKSA-N	408.445	5.751	30	20	HKED	
C/C(=C\c1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	750683534	GXHBRUBSRGVQKC-RLHAVTDZSA-N	414.436	5.369	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1cc2cc(Br)ccc2o1	753140545	CJEPENWWCJNQEM-IHWYPQMZSA-N	411.280	5.610	30	20	HKED	
O=C(/C=C/c1ccc(OCC(F)(F)F)c(F)c1)c1c(Cl)nc2sccn12	758063122	RGRGJSNTAOUIAC-HNQUOIGGSA-N	404.772	5.026	30	20	HKED	
N#CCCCOc1cccc(/C=C2/Cc3c(F)ccc(Br)c3C2=O)c1	759090598	JHJABHLDHQAYGC-UVTDQMKNSA-N	400.247	5.093	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)c1	759217426	AZMXHAZHWOVHIA-OAHLLOKOSA-N	403.309	5.022	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2cccc(CSCc3ccccc3)c2)c1	760386494	SUIQPCZZCUYSHD-UHFFFAOYSA-N	402.519	5.204	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1Br)c1c(Cl)cccc1Cl	760544131	CGNIBDIXUZUBGU-ZDUSSCGKSA-N	418.505	5.404	30	20	HKED	
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	768742474	XXCOUOHFVNZXOW-OAHLLOKOSA-N	424.316	5.269	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)ccc1Oc1ccccc1	779204400	RLCZFGNUPPGADB-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CC(C)c1ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	787054081	RVJAVXLQWRACSB-SCLBCKFNSA-N	403.309	5.317	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@@H](CCC#N)c1ccccc1	790901831	RGYMEQJWNOOHDO-FQEVSTJZSA-N	407.514	5.127	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1ccnn1C(C)C	794942159	JLLWFLSICNPDCM-CMDGGOBGSA-N	416.344	5.555	30	20	HKED	
CC(C)O[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	796757351	WOTFAALLNHITPU-KXBFYZLASA-N	418.440	5.658	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(F)c(Br)cc1Cl	798530679	GPSPYCLCMDBQCV-UHFFFAOYSA-N	422.641	5.058	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)n1	802031470	FKZLUEYPEIPLBR-HKUYNNGSSA-N	417.317	5.755	30	20	HKED	
N#CCc1ccc(C(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1	804578852	IRFXFBYIYPTNRB-KRWDZBQOSA-N	406.700	5.075	30	20	HKED	
C#C[C@H](NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1	811859811	AUSGQWRYVPYWAK-SBUREZEXSA-N	419.912	5.049	30	20	HKED	
CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1	813378491	VUQSFLMXHRKGTP-RPBOFIJWSA-N	424.500	5.040	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc3c(c2)N(CC(F)F)CCS3)c1	864027918	MRYUUBWOQXVKKD-UHFFFAOYSA-N	424.314	5.110	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1Cl	916056638	FWQYTKWAFBLRCU-IRLDBZIGSA-N	416.864	5.236	30	20	HKED	
Cc1sc2ncn(N=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)c2c1C	916310626	AEAUFVJCXOGEFB-UHFFFAOYSA-N	411.571	5.258	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2c[nH]c3ccccc23)cc1	916947148	FLFBXXQMGBAHGC-JTSKRJEESA-N	401.510	5.352	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C	916975800	FWHAQIVBZKVTNS-IBGZPJMESA-N	422.937	5.920	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141895	NGEAHCKCRXDVOA-AUUYWEPGSA-N	419.531	5.047	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)nc3C)CCC2)cc1	1786102910	DWIMBHDXBLXTPB-UHFFFAOYSA-N	421.516	5.045	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3)cc2)CCC1	1787774848	QDEFGDWGUANRTD-SFHVURJKSA-N	408.567	5.125	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1	1787888532	VZEFURWLNXZJJF-UHFFFAOYSA-N	416.308	5.045	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1	1791250505	RWCDOHNBSOECNP-MRXNPFEDSA-N	419.500	5.267	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3F)CCC2)cc1	1791580868	MVNABLGCAFKHDF-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1	1830598582	FYNSTZJWPDXGSF-GHTZIAJQSA-N	416.993	5.094	30	20	HKED	
C=CCNc1nnc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)s1	5782662	KHQNUMTYSXVGEX-SFHVURJKSA-N	410.568	5.225	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)n1	18535784	MEIZIKYMNKMBNR-LLVKDONJSA-N	413.852	5.362	30	20	HKED	
CC(C)OCc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	63816279	HEWLIMFESXPDJQ-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccoc1C	72031384	VVQYCRXOQFDHAQ-ZDUSSCGKSA-N	409.433	5.784	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(F)c1F	302844104	DFNQOBZJIJUVQX-UHFFFAOYSA-N	407.873	5.267	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1cccc(Cl)c1	303416548	WRMWRUGBGOABFA-HOTGVXAUSA-N	401.963	5.223	30	20	HKED	
Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	409789890	DVNHXOBZEBNFOM-UHFFFAOYSA-N	415.493	5.387	30	20	HKED	
CN(CCCC1(C#N)CCOCC1)[C@@H]1CCSc2ccc(Br)cc21	410365590	DRXTWIDJXDKWBJ-QGZVFWFLSA-N	409.393	5.018	30	20	HKED	
COc1ccc2c(c1)[C@@H](N(CCCC1(C#N)CCOCC1)Cc1ccccc1)CCO2	410382146	NNZLDHRAJSOIJK-DEOSSOPVSA-N	420.553	5.122	30	20	HKED	
Cc1cn2c(-c3noc(/C=C/c4cn(CCC#N)c5ccccc45)n3)c(C)nc2s1	426583486	HKHORPINPQMVPO-CMDGGOBGSA-N	414.494	5.101	30	20	HKED	
CC(C)(c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1)C(F)(F)F	429675729	OJRAEOIRJQHZDU-WOJBJXKFSA-N	415.459	5.830	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1	431219729	YNBGEQSPWMGNQH-RDJZCZTQSA-N	414.962	5.135	30	20	HKED	
COc1cc(Br)cc(C)c1NC(=O)N[C@@H](CCCC#N)c1ccccc1	431694417	WNYQYDKEIHQWEP-KRWDZBQOSA-N	416.319	5.323	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21	432267487	AFOALQKJUXWXHP-QGZVFWFLSA-N	416.344	5.330	30	20	HKED	
Cc1cccc(Cc2cnc(NC(=O)CN[C@@H](CCCC#N)c3ccccc3)s2)c1	433030032	IPZXPHJXXNCQEB-QFIPXVFZSA-N	418.566	5.006	30	20	HKED	
COc1cc(C(C)=O)c(OC)cc1OCCC(C#N)(c1ccccc1)c1ccccc1	434649822	DOFKIVRCSBFUOT-UHFFFAOYSA-N	415.489	5.185	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3cccnc3Oc3ccccc3)no2)c2ccccc21	436109695	LJFLHOMFGSIVQA-UHFFFAOYSA-N	421.460	5.849	30	20	HKED	
O=C(NCc1ccc(O)c(F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436271919	RDBAGOSBFBCEHP-CQSZACIVSA-N	424.316	5.043	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2ccnc3ccccc23)cc1F	437480837	LSVOEKBJOZMBJK-UHFFFAOYSA-N	411.436	5.609	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)Cc1cccs1	437963438	OMCGAIBPNIZDAK-KRWDZBQOSA-N	419.550	5.508	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1	439368434	CUSFPGGABMZWOE-NRFANRHFSA-N	420.900	5.481	30	20	HKED	
N#Cc1cccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	444029660	YYXXKVLQYGEKNZ-HNNXBMFYSA-N	401.310	5.392	30	20	HKED	
Cc1oc(-c2ccccc2)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1C	444448077	BEXDWZJMOIKCSZ-INIZCTEOSA-N	405.404	5.798	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CC1	444942462	AHUQNKRHHKFNMH-UHFFFAOYSA-N	412.902	5.509	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3ccc(F)cc3C#N)C2)n1	447392280	BCGAQXHUYRHMMW-QGZVFWFLSA-N	407.514	5.209	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cnc(C(F)(F)F)s2)cc1	447729525	HLEAYUBLWSXQMZ-UHFFFAOYSA-N	405.420	5.375	30	20	HKED	
C=C(C)Cn1c(-c2ncccc2C)nnc1N(Cc1ccco1)Cc1cccs1	460371765	CPSVFYMACDVKMY-UHFFFAOYSA-N	405.527	5.086	30	20	HKED	
CN(CCc1cccc(Br)c1)C(=O)c1cn(CCCC#N)c2ccccc12	462847166	WJMNVFHQCYFOJX-UHFFFAOYSA-N	424.342	5.022	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F	463466227	IMBKMXJGRBOBNP-UHFFFAOYSA-N	408.351	5.836	30	20	HKED	
COCc1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1	464298617	UFZGDFAIPLSCBU-UHFFFAOYSA-N	416.355	5.361	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(Cl)c1)c1cc(C(F)(F)F)ccn1	464474888	LPXJHBLDNQDJRL-JTQLQIEISA-N	403.585	5.006	30	20	HKED	
CSc1cccc([C@@H](NC(=O)NCc2cccc(C#N)c2)c2cc(F)ccc2F)c1	465519919	RQTJJJOMRUHMJY-JOCHJYFZSA-N	423.488	5.147	30	20	HKED	
C[C@@H](O)C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1	469512448	RPEPZHQLNFGUAJ-WIYYLYMNSA-N	415.493	5.027	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c1C#N	470210035	QSYVNLUHLZZYNF-OAHLLOKOSA-N	414.534	5.106	30	20	HKED	
Cc1c(S(=O)(=O)Nc2ccccc2SCCC#N)oc2ccc(Cl)cc12	470444871	QSYISBMWRJJFIM-UHFFFAOYSA-N	406.916	5.201	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	474433941	OGUVUVKSFUMVDZ-JTQLQIEISA-N	407.973	5.903	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1ccccc1SC[C@H](C)C#N	475599399	IAWXMWFEFOGCTC-MRXNPFEDSA-N	411.571	6.206	30	20	HKED	
CC(C)Oc1cc(F)ccc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N	479414163	PWUXZOLAKJHHHC-OAHLLOKOSA-N	402.491	5.025	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C	481043559	UZIYAXRRQBVWEA-UHFFFAOYSA-N	401.923	5.024	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NCc3ccc(C#N)cc3Br)cc2)cs1	481235779	KSTUXBXOLSQJLT-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H]1CCc2ccc(F)cc21	481364962	BNHXJDBQEOLEIC-IFXJQAMLSA-N	400.544	5.437	30	20	HKED	
C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@@H](OC1CCOCC1)c1ccccc1	481648771	ZQDBMHCARLVGQI-AFWDCEBSSA-N	404.554	5.241	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	482158475	KYWXIJDSJMMOAR-MHZLTWQESA-N	417.597	5.668	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482373879	VBOSRZKDVZNZTC-OAHLLOKOSA-N	408.317	5.290	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)ccc1Br	483308495	JGVXZWFGELXICA-UHFFFAOYSA-N	406.246	5.262	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	484977192	AVMNGNUVMOSIHI-KDOFPFPSSA-N	404.297	5.306	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CC2CC(OC(C)(C)C)C2)cc1	485789516	FRAPDRUOHQPCBB-UHFFFAOYSA-N	408.498	5.281	30	20	HKED	
CC(C)(C#N)c1ccccc1CNC1(c2ccc(Br)cc2)CCOCC1	487426409	HCLLHTNYTQLUGV-UHFFFAOYSA-N	413.359	5.046	30	20	HKED	
CSc1cnn(-c2ccccc2)c1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	494188024	GISMDKOBPIDXJR-UHFFFAOYSA-N	419.554	5.156	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCS1	494579708	QASVUSZOWXSDPF-AWEZNQCLSA-N	401.919	5.363	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F	494680185	RZOZEXYFCHPURD-ZHRRBRCNSA-N	406.432	5.028	30	20	HKED	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	498949977	XXNPOBLOAXIDTE-RBUKOAKNSA-N	420.516	5.224	30	20	HKED	
N#C[C@H](C(=O)c1cn2ccccc2n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	499590279	LQLTWPHBARUYTE-CYBMUJFWSA-N	413.289	5.255	30	20	HKED	
C=CCc1cc(CNC2(c3ccc(Br)cc3)CCC2)cc(OC)c1O	500141988	DSAYUCCFDAPKOG-UHFFFAOYSA-N	402.332	5.061	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1Cl	504290978	XBUPVYVQYGNUFU-CTNGQTDRSA-N	405.885	5.788	30	20	HKED	
N#C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1c(Cl)cccc1Cl	505482424	YORNUTHXXMTGAB-IUODEOHRSA-N	401.215	5.410	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1	510152683	XCZWVBPIVACTRC-INIZCTEOSA-N	419.487	5.732	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	512842079	WJKONOBWTGQTAU-UHFFFAOYSA-N	421.504	5.010	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(CC)no2)nc2sc(-c3ccccc3)cc2c1=O	513956412	AVXRFGUIXCCWCD-ZDUSSCGKSA-N	424.551	5.110	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4ccccc4)nc3O)c2)c1	515420919	JABWUEDCEFFRGI-UHFFFAOYSA-N	421.456	5.157	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	517466789	VDOUCFLIGLAWNF-ORAYPTAESA-N	408.304	5.217	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccsc1	518255426	CUNQZQRSPMBWKB-VQIMIIECSA-N	416.616	5.347	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N(C)Cc1cccc(C#N)c1	518571113	HQCKCPZAXSRSLE-OAHLLOKOSA-N	424.957	5.546	30	20	HKED	
Cc1c(C#N)c(NC(=O)CS[C@H]2CCCc3ccccc32)n(Cc2ccco2)c1C	518844386	GNGUKZZFHGBDOD-QFIPXVFZSA-N	419.550	5.367	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)no1)c1ccccc1	520384860	CCUZHZJOWRHZTR-NRFANRHFSA-N	414.509	5.495	30	20	HKED	
C=C[C@](C)(CC)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	520456520	IRQDXLCGJVFITE-RUZDIDTESA-N	401.510	5.380	30	20	HKED	
C=CCOc1ccc(/C=C(\CC(=O)O)c2nc3cc(Cl)ccc3s2)cc1OC	520764025	NOEMWOZSFMEDKV-NTEUORMPSA-N	415.898	5.538	30	20	HKED	
CC(C)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)n1	521554822	SWCZZGUGCULIJZ-UHFFFAOYSA-N	408.914	5.204	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c(C)c2c1	524768694	YUHFNEUPIMCHFH-UHFFFAOYSA-N	414.383	5.406	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1	530447276	GPLZQXUSBSYZEX-LJQANCHMSA-N	419.594	6.560	30	20	HKED	
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([C@@H](O)C(F)(F)F)CC1	531731722	BEMQYCNCRQYOBU-LKFCYVNXSA-N	423.319	5.420	30	20	HKED	
COc1ccc(CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1OCCCC#N	531817954	JJQDYBVMMPMLSC-QFIPXVFZSA-N	402.485	5.533	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1C(F)F	534854410	WJXKEBWXVAUVNG-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1	536383520	UPLLIKSHXDYZHL-GOSISDBHSA-N	412.489	5.319	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4cccnc4)s3)n2)cc1	536441064	BOFNVZFQWPEQHE-INIZCTEOSA-N	402.504	5.127	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)c1ccc(Cl)cc1	537342172	CWCYGBICRHNJRT-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
CCC[C@@H](C#N)NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	537724806	HGTIKALGXNSDCQ-WQJNHMDYSA-N	405.523	5.044	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1	537928249	JVBTZCDEABKJMC-RDPSFJRHSA-N	413.477	5.250	30	20	HKED	
N#CC1(CCCSc2nnc(-c3ccncc3)n2C2CCCCC2)CCOCC1	539709239	MBLJZXPYZXWDQK-UHFFFAOYSA-N	411.575	5.038	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2c(F)cccc2Br)cc1	540198086	CAWZNKOZNYCLCV-UHFFFAOYSA-N	409.258	5.057	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SC2CC2)cc1)c1nc(-c2c(F)cccc2F)cs1	543057559	FLPHCDDGSVXFLF-HNNXBMFYSA-N	412.486	5.833	30	20	HKED	
CC(C)n1cc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1	543692299	ZUVXOVPEWGJUSV-UHFFFAOYSA-N	405.449	5.014	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1ccc(C#N)cc1Cl	543817911	ULYRIUXJOBBMSL-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
COc1cc(C)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	543856481	INMUBBWBPSRHAW-KRWDZBQOSA-N	400.478	5.042	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(Cc4c[nH]c5ccc(F)cc45)no3)cc2)nc1	545752926	VNFGSAMZYSYTIV-UHFFFAOYSA-N	411.396	5.007	30	20	HKED	
CC[C@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CCN1Cc1ccccc1	546834619	XMKXUDCPXSJRSB-FPOVZHCZSA-N	422.598	5.209	30	20	HKED	
C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	550847540	GVDWFRAOQJVCMG-MRVPVSSYSA-N	409.305	5.527	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1nccn1-c1ccccc1	554211175	IBDTZUMIRDRSRK-IRXDYDNUSA-N	405.527	5.149	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C(C)C)cc1	558512349	UOOYFWNNNMIKGP-QHCPKHFHSA-N	416.481	5.273	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	560351180	JDWPCYCPMCHDEN-AWEZNQCLSA-N	413.289	5.182	30	20	HKED	
C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C[C@@H](CC#N)c1ccccc1	561067231	IXBQQCXJKJWQJS-HGHGUNKESA-N	416.443	5.081	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1	569015413	IDCSYPUAJISTAW-CTNGQTDRSA-N	407.583	5.733	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1cccc2ccccc12	570442041	CNRVWRAKPSQVRB-QGZVFWFLSA-N	408.461	5.338	30	20	HKED	
CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F	574479235	PFVAUEMFJFSZKT-HNNXBMFYSA-N	413.861	5.051	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)cc2)ccn1	578055040	YBLSESYARMYZCQ-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	579779801	ODBCRHHISJVBII-WAIKUNEKSA-N	416.456	5.500	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccccc1OC	583662058	NPIBTPRCFOPKSI-XLIONFOSSA-N	422.504	5.093	30	20	HKED	
N#CC1(CC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1	590324696	NOLAXNKUQHQMRY-GFCCVEGCSA-N	418.259	5.138	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)n2)cc1	602732540	RNXYZBINDLNSTN-UHFFFAOYSA-N	415.499	5.555	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(NC(=O)c2ccco2)c1	603969757	GMTAFQQTNQFSRX-UHFFFAOYSA-N	413.458	5.384	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC	604461352	HXBSBFJIZIZHCZ-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC)c2ccc(F)cc2F)cc1	606558502	BRNPYVBTWTWSCC-OAQYLSRUSA-N	413.468	5.052	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2C)cc1	609064908	NYGFCRISZOONSY-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1	609123997	MKJNKYWKKSOPQN-MGPUTAFESA-N	419.456	5.314	30	20	HKED	
N#Cc1c(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)sc2c1CCCCCC2	609298568	YKOZIKAJSWASLI-UHFFFAOYSA-N	400.454	5.345	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCOc1cccc(Cl)c1	609399229	ITHIUSKKBNJAKB-INIZCTEOSA-N	417.962	5.525	30	20	HKED	
Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1cccc(CC#N)c1	609453051	MBZKMTSRDHOKMT-UHFFFAOYSA-N	418.806	5.078	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1	610174818	FDSIYEMRRUYNAM-KRWDZBQOSA-N	423.582	5.451	30	20	HKED	
C[C@H](Nc1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl)c1cccc(C#N)c1	610340267	HIWIRLUKAQMPOW-NSHDSACASA-N	419.699	5.237	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cccc(C#N)c1	610404806	NGMHFTDETKOAAX-JLTOFOAXSA-N	420.513	5.259	30	20	HKED	
Cc1cc(C#N)ccc1CN[C@H](Cc1ccccn1)c1ccc(Br)cc1	616121261	VFOXQTBVNGKSBR-JOCHJYFZSA-N	406.327	5.098	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccncc1	648079553	HZBUHKCICSQFAJ-CYBMUJFWSA-N	412.469	5.124	30	20	HKED	
CC(F)(F)c1cccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	682055580	RWMZQURIRQIIAC-PJXYFTJBSA-N	418.328	5.829	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	685545151	JAOKOMXIUAFSGE-SFHVURJKSA-N	400.313	5.174	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OCc3cccc(C)c3)cc2)ccc1OCC#N	727655624	ZAUXCWILJXWOKF-WUXMJOGZSA-N	413.473	5.381	30	20	HKED	
O=C1/C(=C/c2cccnc2Cl)CN(c2ccccc2)C/C1=C\c1cccnc1Cl	728697208	KPPUDVJJADVGQY-KLCVKJMQSA-N	422.315	5.340	30	20	HKED	
N#CCCSc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1	730953445	ZLSUGAUMKFJOEQ-UHFFFAOYSA-N	408.017	5.424	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(OCC#N)cc2)cc1	731962936	WSUDIWSBIUWQHN-UHFFFAOYSA-N	422.868	5.224	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2s1	734111099	PGYKPEBXTVUNDN-OAHLLOKOSA-N	415.543	5.810	30	20	HKED	
N#CCOc1ccc(Cl)cc1COc1ccc([N+](=O)[O-])cc1-c1cccs1	735302576	ABLYOTMHKFEMPR-UHFFFAOYSA-N	400.843	5.458	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2cccc(COc3cccc(C#N)c3)c2)cs1	736829336	QFHSVJVONQLWDX-INIZCTEOSA-N	422.506	5.048	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccncc1	740480814	HPFAMYPBVYFLBW-UZUQRXQVSA-N	405.929	6.080	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1c(Cl)nc2sccn12	741843409	GDGYFXGSLKGXAK-SREVYHEPSA-N	421.284	5.232	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Cl	744029267	RQTKPBPTYCJBQC-RTWAWAEBSA-N	416.908	5.404	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	746126155	RWNWYDGDDHOOMV-XJKSGUPXSA-N	417.456	5.184	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1OC	746339707	CCPFNAXFZPHUDZ-KMDKVFFASA-N	414.505	5.213	30	20	HKED	
N#Cc1ccc(/C=C2\CN(c3ccccc3)C/C(=C\c3ccc(C#N)s3)C2=O)s1	748996855	BKHUJFNTGJRQKO-OTYYAQKOSA-N	413.527	5.109	30	20	HKED	
CN(CCc1cccc2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	750689478	HXFULGBEMFKIFN-MHZLTWQESA-N	419.528	6.202	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	760786815	XUDXGJQKQYXKKH-FGZHOGPDSA-N	416.452	5.049	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(CC)Cc2ccccc2Cl)c1=S	764883045	DGYWGDRZTOXRHM-UHFFFAOYSA-N	413.978	5.185	30	20	HKED	
N#C[C@H](C(=O)C=C1CCSCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	772642917	ZUKLLVHLBXTGNW-CQSZACIVSA-N	409.363	5.747	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	774088685	FVXDIYFZEACANA-AWEZNQCLSA-N	411.458	5.272	30	20	HKED	
C[C@@H](N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(OCC#N)cc1	779082800	RDDOMFLTNBXOSM-HXOBKFHXSA-N	421.541	5.664	30	20	HKED	
CCOC(=O)Nc1ccc(NCc2ccc(Oc3cccnc3)c(C)c2)cc1C#N	779603115	HFHYLJPTYQEJHL-UHFFFAOYSA-N	402.454	5.235	30	20	HKED	
C[C@H]1C(=O)CC[C@H](C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)C1(C)C	781313850	IOYCADPQPBVHRX-SIKLNZKXSA-N	403.522	5.071	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)OCCCC(C)(C)C#N	782891992	BLEIRWQRXJGOGU-UHFFFAOYSA-N	408.329	5.212	30	20	HKED	
CC(C)(C#N)CCCOC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1	783085776	WCGILKZDILAPSO-ISKFKSNPSA-N	418.537	5.040	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1cc(Oc2cccc(Br)c2)ccn1	784159777	RDYDBSBXXMYIPO-UHFFFAOYSA-N	403.276	5.123	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1cnc2ccccc2n1	792113377	GKOWYIQOISPOMI-OAQYLSRUSA-N	405.457	5.136	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC1CCN(c2ccc(C#N)cc2)CC1	796891848	LOISDZOINJCPFU-UHFFFAOYSA-N	406.530	5.295	30	20	HKED	
COc1cccc(C2(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2)c1	796902320	BJZCZDBEUKKVDD-HNNXBMFYSA-N	410.445	5.005	30	20	HKED	
C#C[C@@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1ccc(Cl)cc1F	804420669	CSPDLTRHQHOAJH-MRXNPFEDSA-N	406.766	5.150	30	20	HKED	
C[C@@H](NCc1cc(C(F)(F)F)ccc1Br)c1ccc(OCC#N)cc1	810143291	DLFAUNBFWZLXJT-GFCCVEGCSA-N	413.237	5.221	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813214193	UFXPDGWOJNQFDJ-MRXNPFEDSA-N	415.440	5.260	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(=O)c2ccccc2)c1	813217967	KYZPRZPKZZWIDE-FOIQADDNSA-N	422.406	5.311	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc(CC[C@@H](O)c3ccccc3)c2)c1	864036961	KJHLJFUHCOVCRF-HSZRJFAPSA-N	421.338	5.599	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)C(C)C	914683493	QDILANGDHFRZDO-UHFFFAOYSA-N	410.521	5.183	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CCCCCC2	916898703	DTVGWGGDFJTRJL-LJQANCHMSA-N	408.567	5.493	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl	916940728	ZSXFSWYYHUHQTK-IBGZPJMESA-N	420.852	5.102	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)CC(C)C)cc12	917362884	CPLQTPDVAHQOFS-UHFFFAOYSA-N	400.935	5.061	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	919810854	NVGDXUBWVWAJAD-UHFFFAOYSA-N	418.305	5.195	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)CCC3)cc2)C1	1785803482	MSRVAWKEIRBQOR-DHIUTWEWSA-N	418.512	5.030	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)on3)cc2)CCC1	1787545838	GMFMJWCLMRVGSI-HXUWFJFHSA-N	421.541	5.314	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1	1832029837	SGLFOGIJAZMBKZ-RUZDIDTESA-N	422.613	5.237	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2cccc(F)c2)n1	48053894	ZBFJVIOQHCELGY-UHFFFAOYSA-N	406.486	5.141	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C#N)cc1	65079057	JVAVGRUTPLSHFO-UHFFFAOYSA-N	423.394	5.390	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCC2CCCCC2)cc1)c1ccc(C(F)(F)F)cn1	66005066	HJWGAXVHNZUANK-IBGZPJMESA-N	402.416	5.550	30	20	HKED	
COc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC	213974650	CNPBIDNSOHCGQI-QPEQYQDCSA-N	414.461	5.328	30	20	HKED	
N#CCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1Cl	426943166	BNJYGVLPSREVSK-UHFFFAOYSA-N	424.715	5.062	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccc(CN2CCCCCC2)cc1)c1ccccc1	431879321	DKKKKLRXLNZFAF-VWLOTQADSA-N	418.585	5.297	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccccc1	432830613	GDEIMECETDLYBI-NRFANRHFSA-N	402.454	5.089	30	20	HKED	
C[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(C#N)cc1	436106487	UKBWSTQYCAWCGN-ZDUSSCGKSA-N	400.356	5.208	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc([N+](=O)[O-])cc1	437483459	RJDGCFCVANIIEY-UHFFFAOYSA-N	419.412	5.314	30	20	HKED	
C[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	437743944	IRSIGKPBXMQMJD-IBGZPJMESA-N	411.505	5.310	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	438636576	LLLHKZPXTBQPII-UHFFFAOYSA-N	409.873	5.414	30	20	HKED	
CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	438680591	DIEFZTFMUNXKKM-UHFFFAOYSA-N	420.538	5.008	30	20	HKED	
CC(C)N(CC#Cc1cccc(Cl)c1)CC(=O)Nc1ccccc1C(F)(F)F	439785005	XCFVRQNRCSGZSG-UHFFFAOYSA-N	408.851	5.059	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccc(C(F)(F)F)cc1	441524003	LRXAJHPGKBPHNY-MRXNPFEDSA-N	409.477	5.546	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C	446000392	BXVARMFZJCJHEI-IXDGSTSKSA-N	419.447	5.040	30	20	HKED	
N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2cccs2)cc1C#N	460113074	JBEFFKVZDWLQND-UHFFFAOYSA-N	415.499	5.782	30	20	HKED	
Cc1csc([C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C2CC2)n1	460262285	TUHPNLZOUMNIML-HXUWFJFHSA-N	407.470	5.136	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1	461079463	FMYARBPRIIVAII-HNNXBMFYSA-N	409.736	5.209	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1Cl	466074522	FSLBCOPCVKNCOQ-HSZRJFAPSA-N	419.912	5.151	30	20	HKED	
C=CCCCN(C)C(=O)N[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC	466365891	AVWQFXFVEZTPAO-OAQYLSRUSA-N	402.922	5.054	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4ccsc4)C3)c2)cc1	467570915	UZRXBULWWDRDQR-OAQYLSRUSA-N	405.479	5.017	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cc3ccccc3o2)cc1C	468285547	BOOPHUGLQNLKOR-GOSISDBHSA-N	412.493	5.318	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1	475546506	LLMBTFRILPCKIL-NRFANRHFSA-N	415.541	5.693	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(c2ccccc2C#N)CC1	475554183	RNSGRGGOFDSNPE-UHFFFAOYSA-N	402.542	5.154	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1	475558499	JXZSRWORTLRLMA-UHFFFAOYSA-N	414.496	5.892	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1	475577661	GAERHLWXESKLGL-UHFFFAOYSA-N	407.945	6.263	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(C(F)(F)F)cn1	477845137	WBAHKLZVBPOPAM-CQSZACIVSA-N	422.815	5.988	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3ccccc3F)nc2)nnc1-c1ccco1	479218393	CCPVOSVAEYVULY-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCC(F)F)cc2)cc1	480352515	IFNBEUHWNKQKPN-UHFFFAOYSA-N	424.472	5.747	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)cc1	480848443	WVICQJCWOOWOLN-AVRDEDQJSA-N	421.541	5.407	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnc2ccccc12	482515278	VHGWDCWYFZTPGI-UHFFFAOYSA-N	415.440	5.820	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)sc21	483482645	CHJJKUMFRNNXQN-LBPRGKRZSA-N	414.462	5.186	30	20	HKED	
Cc1nc2ccccc2n1CCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	483706798	SULZZRAQAKMAGI-UHFFFAOYSA-N	424.504	5.019	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	484319955	TXOFMABLXFHIFC-GOSISDBHSA-N	400.478	5.278	30	20	HKED	
CCC(CC)CN(CCC#N)Cc1csc(N(C(C)=O)c2ccccc2F)n1	484919503	CHXGNFYQOLIAQD-UHFFFAOYSA-N	402.539	5.119	30	20	HKED	
CC(C)c1c(NC(=O)N(C)Cc2cccc(C#N)c2)cnn1-c1ccc(Cl)cc1	485137368	NOQZVLVFFUCXOH-UHFFFAOYSA-N	407.905	5.185	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)s1	487481734	AOKYLQIJEIZXDE-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
N#Cc1ccc([C@H](Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C(N)=O)cc1	488201167	ZQGNWTBOLGVCOG-FQEVSTJZSA-N	411.383	5.008	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	488544187	NCSXXSJLQJIMNO-HXUWFJFHSA-N	417.509	5.277	30	20	HKED	
CC(C)c1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)o2)cc1	488866930	YYGSNVBWAIEBGL-UHFFFAOYSA-N	412.902	5.116	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)c1ccccc1	488868843	PDURMKDIKCVDRM-QHCPKHFHSA-N	405.567	5.464	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc(Cl)cc2cccnc12	489671962	AAKINKQYYQFVJG-UHFFFAOYSA-N	422.941	5.537	30	20	HKED	
Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3occc3COc3cccc(C#N)c3)C2)cc1	489996735	YGBLBRNWOFBNKR-AVRDEDQJSA-N	400.478	5.057	30	20	HKED	
O=C(NC[C@H](c1ccccc1)C(F)(F)F)Nc1cc(F)c(OC(F)F)cc1F	491350461	WUTUXFYXEQVFDM-SNVBAGLBSA-N	410.289	5.034	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)c1nc2c(s1)CCCC2	499312849	CTZCKYKYXOOKNM-CVEARBPZSA-N	417.372	5.107	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(C(F)(F)F)c1	499555095	FPXCPUCDSOCEDF-KGLIPLIRSA-N	422.472	5.874	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)C	499743682	QIEZOCXAKSKSFH-OAQYLSRUSA-N	404.505	5.227	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1CCCC[C@@H]1C(F)(F)F	500214679	KCQMEGRUQLDVAW-RYUDHWBXSA-N	401.322	5.464	30	20	HKED	
COc1ccc(Cl)cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501417260	CFSASPAHJVWBFM-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1	503023151	JURIFGRFGKGXFZ-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c1	503267477	LCYWSSHNBXTYGC-UHFFFAOYSA-N	418.440	5.058	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1	503913771	YRWGLPUPGFOVFB-UHFFFAOYSA-N	424.344	5.525	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1	504139510	YYKVPQPNQMBHQA-UHFFFAOYSA-N	409.536	5.516	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	504440936	CSYFJWOQAVWRDJ-KRWDZBQOSA-N	404.539	5.363	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1	505052816	YLUSDSKFUQZEPZ-UHFFFAOYSA-N	424.932	5.552	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1Cl	509725467	BCXSBTJVKVGQPG-QFIPXVFZSA-N	419.887	5.725	30	20	HKED	
COc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(C(F)(F)F)c1	509725702	BVEJPGKEDAVWJW-OAHLLOKOSA-N	424.316	5.668	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N	513104344	HCVJHACCWDWRGT-QGZVFWFLSA-N	423.541	6.148	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	513656076	XJUBXYKKRNFTQZ-INIZCTEOSA-N	423.563	5.266	30	20	HKED	
CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	515722609	UWYKZZZGARHPEQ-UHFFFAOYSA-N	408.479	5.273	30	20	HKED	
CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(-c2ccccc2Cl)n1	517463867	OMIANANNWPRUBT-OAHLLOKOSA-N	418.884	5.590	30	20	HKED	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	518683137	JTYUWUQLIVKVIG-GOSISDBHSA-N	410.587	5.054	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	518743508	CTCLRLRPUIERBP-MRXNPFEDSA-N	416.437	5.006	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	519604996	LVMZNYQHJXNPBT-AWEZNQCLSA-N	408.445	5.426	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	520197984	WQJYFZILCSYYHR-UHFFFAOYSA-N	407.420	5.683	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	520821642	QNIQIZWOIWMZJC-HNAYVOBHSA-N	419.015	6.415	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2	521811328	CTVZUKXYZWVWTA-CRAIPNDOSA-N	409.511	5.179	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)c2)cc1	522531554	UUIIELAJVBVUFE-SFTDATJTSA-N	418.443	5.352	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(-c3cccs3)c2)c1	522573659	HFDVUHCOOJOWHE-UHFFFAOYSA-N	400.459	5.711	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc([N+](=O)[O-])cc1	523507339	RBCWFRCYGQRARJ-UHFFFAOYSA-N	401.422	5.175	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)c2C#N)C1	525518980	GRRJCZZBTFBTGG-OAHLLOKOSA-N	423.582	5.115	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1csc(C(F)(F)F)n1	526003190	HKHUEMWXYWFMGI-UHFFFAOYSA-N	419.403	5.328	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)C1CC1	532817711	JLAQGTCVSYCYSL-OAHLLOKOSA-N	404.445	5.322	30	20	HKED	
C=C(C)[C@H](CC(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1)OCC	535151337	FNYBOLMNPCXZIZ-DVECYGJZSA-N	408.542	5.106	30	20	HKED	
C=C[C@H](CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccccc1	536128773	UYUIJUWMZSESJF-LJQANCHMSA-N	400.478	5.003	30	20	HKED	
C=CC[C@@H](CO)CNC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	537057307	WFLDYUKKFRALEX-QGZVFWFLSA-N	424.520	5.038	30	20	HKED	
FC(F)(F)c1cc(CNCc2nc(C(F)(F)F)cs2)cc(C(F)(F)F)c1	539515130	JNOGESWOYPFKPM-UHFFFAOYSA-N	408.289	5.489	30	20	HKED	
C[C@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541998511	SSJLVOMERRJQCC-BTYIYWSLSA-N	403.507	5.024	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)NCCCC#N	543378505	GTAMAPBZGOOGRQ-QAPCUYQASA-N	406.917	5.343	30	20	HKED	
Cc1cnc([C@@H](NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)s1	543940535	YEWSTBUIAMXQEV-AOMKIAJQSA-N	416.550	5.502	30	20	HKED	
N#Cc1ccccc1OCc1ccc(-c2nc(-c3cnc4ccsc4c3)no2)o1	546419262	HVLIDNAICZZQGR-UHFFFAOYSA-N	400.419	5.057	30	20	HKED	
N#CC1(N(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C2CC2)CCC1	551631494	IMDGVELWETWWEL-UHFFFAOYSA-N	404.297	5.018	30	20	HKED	
N#CCCC[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1	552312919	BOMJGGUXAAXRDC-SFHVURJKSA-N	400.366	6.249	30	20	HKED	
N#CC1(N(C(=O)c2ccc(-c3ccc(Br)s3)s2)C2CC2)CCC1	556437974	QWINRDYUPPNOFI-UHFFFAOYSA-N	407.358	5.290	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(CCC#N)c3ccc(F)cc3)cc12	556707831	ZVCVKNNXEKWVDH-UHFFFAOYSA-N	422.460	5.234	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1	558620683	CJJDTOPNUPYUDW-UHFFFAOYSA-N	416.456	5.102	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1	562083899	FWYQLDINXLQSOT-OAHLLOKOSA-N	403.448	5.601	30	20	HKED	
N#CC[C@H](Cc1nc(Cc2c[nH]c3cccc(Br)c23)no1)c1ccccc1	579643959	GZHBTJKWTUJRRU-OAHLLOKOSA-N	421.298	5.144	30	20	HKED	
C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1	580801848	AIPUMHMMCXALED-LJQANCHMSA-N	424.932	5.047	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc(C)nc21	587988860	ZUNPWEUGCUQMAO-SWLSCSKDSA-N	423.929	5.464	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cs1	589829945	AKSRKDSUWBTQJN-AWEZNQCLSA-N	408.433	5.353	30	20	HKED	
Cc1c(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)sc2ccc(C#N)cc12	590033325	XWXZALZEQPJHHM-KNQAVFIVSA-N	404.535	5.321	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	598773403	QALVFTGUXVPJIW-OAHLLOKOSA-N	403.507	5.340	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc2oc3ccccc3c2c1	598775385	RLNLXHFAYRVQIW-QGZVFWFLSA-N	413.477	5.342	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	603755238	YUFICXWXJYGPPR-MOPGFXCFSA-N	418.434	5.908	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2Cc3ccccc32)cc1Cl	604084994	RIAYJDPPRKNIDG-PGRDOPGGSA-N	401.897	5.457	30	20	HKED	
COCc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)sc2cccc(F)c12	604480857	WWBNFYHRSKHKJT-NSHDSACASA-N	414.527	5.497	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CNc2ccccc2Cl)cc1	604563578	JBIZPRVBNQKWHM-UHFFFAOYSA-N	407.857	5.063	30	20	HKED	
CCOc1ccc(Br)cc1NC(=O)c1ccccc1-c1ccccc1C#N	609065900	ZWJADKYCHQQGTO-UHFFFAOYSA-N	421.294	5.639	30	20	HKED	
C[C@@H](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1	609174661	RZXWSNYMCBFGSL-MHECFPHRSA-N	402.469	5.279	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCCc3ccccn3)cc2Cl)c1	609202188	FXXXEUFBQJJATA-UHFFFAOYSA-N	405.885	5.147	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609221989	MRIGJBPYLMQAOL-INIZCTEOSA-N	403.507	5.512	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN1CC1CCCCC1	609452038	HIKAEKJGTQKANW-UYAOXDASSA-N	414.619	5.247	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(OC(F)F)c(F)c3)c2)cc1	609642290	LOCSXQXYTRTVKP-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(Cc2ccccc2F)n1	609784214	FXCXNNLNPNPLIO-UHFFFAOYSA-N	417.465	5.185	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	610321314	PRYKAMJQHXBSPX-QHCPKHFHSA-N	412.493	5.813	30	20	HKED	
CC(C)(C)c1ccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)C(F)(F)F)cc1	610390254	FGDHDHGIJQGRLY-LJQANCHMSA-N	414.431	5.299	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1	612546298	JGTFTCMDNMNYCL-HNNXBMFYSA-N	412.209	5.136	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1CCc1ccccc1)c1nc2ccccc2n1C(F)F	613401886	QGGKUQJZJSPFMA-HXUWFJFHSA-N	415.443	5.707	30	20	HKED	
CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)s2)c1	619864362	ILKJWSUIEWFHAZ-INIZCTEOSA-N	415.931	5.250	30	20	HKED	
C=CCN(C(=O)c1ccc(OC)c(OC(F)F)c1)c1nc(-c2ccccc2)cs1	643111251	FLQQTGYUHJYKRB-UHFFFAOYSA-N	416.449	5.253	30	20	HKED	
O=C(Nc1cccc(CCC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674696457	ACZXADYFBNDCPY-VXGBXAGGSA-N	422.291	5.386	30	20	HKED	
C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F	675738624	QOGQTYNWSZBIGA-HBNTYKKESA-N	405.329	5.848	30	20	HKED	
Cc1ccc2c(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c2c1	726320315	WSUAVMIASZQEAH-NRFANRHFSA-N	423.472	5.159	30	20	HKED	
O=C1/C(=C\c2ccccc2OCc2cccnc2)Cc2c(F)cc(Br)cc21	727780422	NGWHFQSPOYVFMV-PXNMLYILSA-N	424.269	5.385	30	20	HKED	
Cc1csc(Nc2cccc(NC(=O)CCCCOc3cccc(C#N)c3)c2)n1	732061232	JXTKWPYCRGWPMC-UHFFFAOYSA-N	406.511	5.255	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1OC	733621345	JUUHFCTVFWJRRI-HXUWFJFHSA-N	417.465	5.012	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c1	733770451	ACXHZKWHCSOACS-IDCRMVTHSA-N	420.509	5.425	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1	733799767	FQKHIHMXUWKSOG-CZUORRHYSA-N	406.313	5.235	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1Cl	734981507	RKMAUFQNPYLEIY-BQYQJAHWSA-N	405.262	5.921	30	20	HKED	
O=C(/C=C/c1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccc(SC(F)F)cc1	734982220	ZFNZQMKPMMKRKR-XVNBXDOJSA-N	400.406	5.016	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(SCC(F)(F)F)cc1	741842025	JAPJXYQYUDWUNK-TWGQIWQCSA-N	406.454	5.756	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1	743294656	RWCFJRPSQMBELO-VWLOTQADSA-N	416.569	5.072	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	744025980	QPTNLKSCPOXNNA-ACJLOTCBSA-N	420.456	5.057	30	20	HKED	
C[C@@H](ON=C1CCOc2ccccc21)c1nc(-c2cccc(C(F)(F)F)c2)no1	744445131	IQEDFXGNNNPOFA-GFCCVEGCSA-N	403.360	5.020	30	20	HKED	
C=CCn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nnc1-c1ccco1	746466021	MXLVUQYPYNCPPU-UHFFFAOYSA-N	412.515	5.363	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)n1	747194142	UVJNMWRKGJGDHH-KKSFZXQISA-N	410.539	6.115	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1	747195900	BUMQAHCQAOZUGD-QGZVFWFLSA-N	410.568	5.038	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1)c1ccccc1	749221138	HOBKNNFEBGPMED-FGZHOGPDSA-N	419.550	5.038	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C(F)F)ccc2Cl)cc1C#N	752292984	MCNYLQXVMIFBNN-UHFFFAOYSA-N	408.792	5.362	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)cc1C#N	752309076	XJFWJYYGGWNTJA-OAQYLSRUSA-N	406.486	5.113	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1Cl	753962406	NNBDUXQYUCUEJN-KRWDZBQOSA-N	416.337	5.275	30	20	HKED	
C#CC[C@H](NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1	757059392	RERNBNDYMYGLKK-DVECYGJZSA-N	411.505	5.064	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(CCCOC(C)=O)c1	765393673	JZHHBWUDGKYXEC-UHFFFAOYSA-N	406.935	5.117	30	20	HKED	
CC(C)(C#N)c1ccccc1CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1	767900188	PTEJSJZKDLSMJB-UHFFFAOYSA-N	421.504	5.148	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2c(C)cccc2F)cs1	769827491	AEGVNRJRRXPSJZ-UHFFFAOYSA-N	402.882	5.375	30	20	HKED	
N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc2cc(F)ccc2s1	770471786	XGCFLCJBTPDRDU-JGWKKKPCSA-N	424.806	5.911	30	20	HKED	
CN(CCC#N)c1ccc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1	770576358	MOLNMJPEXKDBBR-SSEXGKCCSA-N	417.578	5.097	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771100128	WPGGBGHLJXLXHX-OOFWQKGWSA-N	424.497	5.188	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)c1ccccc1	772626331	QZWMXYJRSKKXAE-XZOQPEGZSA-N	404.510	5.232	30	20	HKED	
N#C[C@H](COC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)Cc1cccs1	772730900	AFTFDULIWLAVDB-KBAYOESNSA-N	408.548	5.333	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CSCc3ccccc3)n2)cc1	772976584	ZBKDOAFLHOJYDF-UZLBHIALSA-N	422.575	5.564	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1	778217854	KQTDPYKHZYNPCF-SBUREZEXSA-N	421.541	5.492	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccccc2SC(C)(C)C)ccc1OC	788638006	FFGLCPFIVMPBGG-PKOBYXMFSA-N	412.599	6.118	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1nccc2ccccc12	792100039	CUDMGKNAWCRQIV-RUZDIDTESA-N	405.501	5.113	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2)n1	792103987	VUMNGDHMUOGWLI-HXUWFJFHSA-N	415.543	5.782	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C(C)(C)c2ccc(Br)cc2)s1	797566484	LEFCVRMQDPTEKV-AWEZNQCLSA-N	405.361	5.357	30	20	HKED	
CC1=C(Br)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1	797625488	SVDPRDRMFDIEMJ-UHFFFAOYSA-N	412.287	5.257	30	20	HKED	
C[C@@H](NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1	806182245	WIAMFDNRFRLJOZ-MRXNPFEDSA-N	409.505	5.236	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4scc(C)c4C#N)cc3)o2)c1	809002640	IMFBMMQAFNSMBQ-UHFFFAOYSA-N	400.463	5.206	30	20	HKED	
CC(C)[C@H](c1ccc(Br)cc1)c1noc(-c2ccccc2OCC#N)n1	809441774	LABCQBNPTLIDGZ-GOSISDBHSA-N	412.287	5.189	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cscc2C(F)(F)F)nc(-c2cccnc2)n1	811643756	LTJGOXRZSPMTAE-UHFFFAOYSA-N	417.338	5.084	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Cc3cnc4ccccc4n3)n2)cc1	815911245	WGQQMQHDRQLLHK-APWZRJJASA-N	412.518	5.117	30	20	HKED	
CC(C)Sc1ccccc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12	844168360	WKPHHONDSIRLMX-UHFFFAOYSA-N	406.507	5.095	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1C#N	904314608	LAIAKRVGIQJAEB-UHFFFAOYSA-N	402.401	5.288	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915084990	CNMPEAKUMSAHNS-HSZRJFAPSA-N	407.473	5.487	30	20	HKED	
COc1cc(C=NN(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccnc1	916249634	CQSILCMTANPJCB-UHFFFAOYSA-N	423.472	5.482	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2SC(F)(F)F)o1	917673844	HVOQPTPBCIRKLK-UHFFFAOYSA-N	418.396	5.594	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	918155830	JTRIACQDTIVZLH-ACCUITESSA-N	419.437	5.281	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1ccccc1OCC#N	920014875	NNSKWAPSUMPCRI-UHFFFAOYSA-N	408.498	5.507	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2cccc(CSCc3ccccc3)c2)cc1C#N	1435180448	KVUUWEJFOASMLL-UHFFFAOYSA-N	421.547	5.066	30	20	HKED	
N#CCc1ccc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1	15029853	CCVKNANNSKDRSU-HSZRJFAPSA-N	406.938	5.867	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1OC(F)F	26714090	GCQBKLFCLYRLBB-UHFFFAOYSA-N	410.445	5.241	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)o2)cc1	97543280	XVGCGPRBHZMHNA-SFHVURJKSA-N	410.477	5.669	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Br)cs1	195715587	CXDYRRXCLOKVNG-UHFFFAOYSA-N	413.296	5.735	30	20	HKED	
N#CC1(c2ccccc2)C/C(=C/c2cccc(O)c2)C(=O)/C(=C/c2cccc(O)c2)C1	208140618	PLPPWRDABORKAO-VZHHCOETSA-N	407.469	5.389	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2cnc(-c3ccc(C)cc3)s2)ccc1OC	237021755	GRKQPNSQVZUMGZ-IBGZPJMESA-N	407.539	5.098	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1ccc(N(C)CCC#N)cc1	237608327	FCGKZOZRDZJHFF-INIZCTEOSA-N	408.546	5.458	30	20	HKED	
C=CCn1c(Sc2ncnc3sc4c(c23)CCCC4)nnc1-c1ccoc1C	301063608	BPQSZRIFEASFFG-UHFFFAOYSA-N	409.540	5.067	30	20	HKED	
N#Cc1cc(N[C@H](c2cccc(Cl)c2)c2ccccn2)nc2ccc([N+](=O)[O-])cc12	301683978	WEWWQFRPWLDGQS-JOCHJYFZSA-N	415.840	5.265	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2ccccc21	303293730	NBHUGZLJEVMSNA-INIZCTEOSA-N	422.579	5.205	30	20	HKED	
CC[C@@H](NC(=O)CNc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	303387878	XQBVEGCBMUTFGU-MAUKXSAKSA-N	401.963	5.414	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc2ccccc2[nH]1	303639973	HREUFMCBYARFDZ-CQSZACIVSA-N	416.868	5.371	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(Cl)c2SCC(F)F)cc1	303694739	ACFNHVOULYXXRS-UHFFFAOYSA-N	412.914	5.441	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccccc2n1CC(F)(F)F	426322817	KUBBNWAMPDOFNO-AWEZNQCLSA-N	417.456	5.850	30	20	HKED	
C=CC[C@H](C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1	426633509	GYXSZSYEWHTKQN-QFIPXVFZSA-N	416.487	5.146	30	20	HKED	
Cc1c(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)oc2ccc(Cl)cc12	431645835	SKDMPHZFDZPLPU-SFHVURJKSA-N	402.903	5.108	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CCC2)n1	435167148	XWXIYXRFSZADRP-UHFFFAOYSA-N	422.485	5.456	30	20	HKED	
N#Cc1cccnc1OC1CCC(N[C@@H](c2cccnc2)c2cc3ccccc3o2)CC1	437095124	WONRUBWOWBRYIP-OWWUNANSSA-N	424.504	5.164	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)N[C@@H](CCC#N)c3ccccc3)s2)cs1	438844719	ZERNIVNKVSYMDR-SFHVURJKSA-N	410.568	5.067	30	20	HKED	
Cc1c(NCc2ccc(C#N)cc2OC(F)F)cccc1NC(=O)c1ccccc1	439548645	IVLKYBACOSIKEF-UHFFFAOYSA-N	407.420	5.333	30	20	HKED	
N#Cc1nc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccc1C(F)(F)F	443516991	OTLFDVGTZOJTMC-UHFFFAOYSA-N	406.795	5.151	30	20	HKED	
Cc1cc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1F	444849746	NHZSAAKNJHPKDD-UHFFFAOYSA-N	417.484	5.443	30	20	HKED	
CCC[C@]1(COC)CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	446117120	NSZBIQPOXQZXJQ-RUZDIDTESA-N	421.541	5.145	30	20	HKED	
C=CCN(C(=O)c1ccnc(C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	448134229	IDVGKCYGOJTKQP-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)Nc1ccccc1S[C@@H](C)CC#N	463197816	SKPBNADFFFUDLZ-HOTGVXAUSA-N	400.569	5.522	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	463588051	KKNHXADCSWTVSQ-IAGOWNOFSA-N	423.394	5.214	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	464215415	QXLYUSRSZISHKX-QGZVFWFLSA-N	418.468	5.201	30	20	HKED	
O=C(Nc1ccc(Cl)cc1OCC(F)F)c1c(F)cc(C(F)(F)F)cc1F	464579258	SCVVLQKJPQZBQA-UHFFFAOYSA-N	415.692	5.533	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCc3c(O)cccc32)cc1Cl	466101855	QXLFKWIJDIIPIL-IFMALSPDSA-N	417.896	5.510	30	20	HKED	
CCN(CC)CCSCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	467988505	NOLQMZYBCNOAET-UHFFFAOYSA-N	417.962	5.017	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	471163350	USTKIFZRQSOSCC-UHFFFAOYSA-N	409.477	5.302	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccccc3-c3cc(F)c(F)c(F)c3)o2)cc1	471635002	MDMWGBJHRIQGSM-UHFFFAOYSA-N	406.367	5.305	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C	471845340	KVCAZSFOVPTWFC-IBGZPJMESA-N	404.514	5.030	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccccc1Oc1ncccc1C#N	476374261	MHASDZDFCOXHDU-MRXNPFEDSA-N	420.900	5.030	30	20	HKED	
C=CCC[C@@H](NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1)c1ccc(C(F)(F)F)cc1	476408770	SCJTZJHKJTXXQE-FUHWJXTLSA-N	419.491	5.481	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1ccccc1	476692872	CTEKVCXPCGGRGT-OXJNMPFZSA-N	415.306	5.339	30	20	HKED	
CCC(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1	479530640	VENQHPMJCFWHGX-UHFFFAOYSA-N	401.491	5.310	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[C@@H]1C(F)(F)F	482027163	BQJIGKKMFCJOLE-FQEVSTJZSA-N	416.443	5.596	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1C#N	484529942	LQZOYNPXKLWXFV-UHFFFAOYSA-N	405.420	5.332	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1	485475923	GIIDOBWKNWLSAN-NDEPHWFRSA-N	413.608	5.798	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccccc1	487177074	OMLZAINMIJUSOW-MRXNPFEDSA-N	410.568	5.123	30	20	HKED	
N#CCCC[C@H](NC(=O)CCCOc1cccc(Cl)c1Cl)c1ccccc1	487190023	XGIYWRSTEUCACF-SFHVURJKSA-N	405.325	5.704	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc4cc(F)ccc4n3CC)o2)cc1	489750173	ZZMYSUPCGOCVCJ-UHFFFAOYSA-N	410.474	5.102	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)C1(c2ccc(C(F)(F)F)cc2)CC1	490293968	YRTZKUPOHHKWPO-UHFFFAOYSA-N	407.285	5.255	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1	501451702	JOKXWIWQIUPNMO-UHFFFAOYSA-N	400.522	5.487	30	20	HKED	
C[C@@H](NC(=O)N1CCC(CC(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1	501874654	UGIQWNJTNDKKLP-MRXNPFEDSA-N	415.459	5.660	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2OC(F)F)cc1	502226385	NLGBNJATGXXGTL-IEBWSBKVSA-N	401.413	5.022	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@](C)(C#N)CC(C)C)cc1	503172766	DKAMXYGTOPMHHO-RUZDIDTESA-N	403.526	5.221	30	20	HKED	
C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503880093	XZMVTVIJOANILJ-IBGZPJMESA-N	423.516	5.032	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	505039426	ONLGWBXTKCZUEZ-FQEVSTJZSA-N	404.432	5.429	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c12	505458241	SEXBBQZCCZSXCU-HNNXBMFYSA-N	414.465	5.320	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	505964275	ALGHADVQRSSWMS-BBWFWOEESA-N	412.333	5.209	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1F	505983085	YHWUDJBIOAKUMS-SFHVURJKSA-N	415.346	5.026	30	20	HKED	
COc1ccc(-c2cc(NC(=O)N3CCC(C)(C#N)CC3)ccc2OC(F)F)cc1	506277653	RQUAFPKTMMJSLZ-UHFFFAOYSA-N	415.440	5.121	30	20	HKED	
O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H](c1c(F)cccc1F)C(F)(F)F	506760507	WCIPFDQRFBOPFA-CYBMUJFWSA-N	420.288	5.204	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccnc2)cc1Cl	510009819	LYZKIIKTUBCHHO-GGAORHGYSA-N	416.912	5.759	30	20	HKED	
Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510023243	KQZHJSWNFAJHNZ-NFBKMPQASA-N	418.928	5.703	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(CC#N)cc1	510030759	RJQSQHKPYNAMKW-UHFFFAOYSA-N	404.283	5.097	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1occc1COc1ccccc1	511563048	AOJCCXWTACDYDS-UHFFFAOYSA-N	424.456	6.083	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)c2cc(Br)ccc2n1	511801461	HZJVYBCLEWGMCN-UHFFFAOYSA-N	424.298	5.241	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sccc1C#N	512951971	ZHSDNKVFXTZXMZ-LLVKDONJSA-N	403.916	5.189	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C	513658197	PYNQHTYITWVRGJ-UHFFFAOYSA-N	416.264	5.480	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1Cl	513746825	DYOFMWKYFINWHT-UHFFFAOYSA-N	421.831	5.535	30	20	HKED	
C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2ccccc2)n1	514338036	HTVIXBKCOVGWEG-UHFFFAOYSA-N	409.467	5.043	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1	514425104	TVNJUQFAFIGUBB-CQSZACIVSA-N	422.506	5.177	30	20	HKED	
N#C[C@H](C(=O)c1cc2sccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	516465961	FFNWPCTVZMQJDJ-GFCCVEGCSA-N	400.937	6.230	30	20	HKED	
Cc1sc2nc([C@H](C)Nc3ccc(Oc4cccc(C#N)c4)cc3)nc(O)c2c1C	517516630	VOKREISFUHXZOA-AWEZNQCLSA-N	416.506	5.851	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccsc1	518255423	CUNQZQRSPMBWKB-APWZRJJASA-N	416.616	5.347	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	518276366	AMDRDWYTMMXKPU-UHFFFAOYSA-N	409.411	5.133	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1	518667714	JPYXWNDNZBJSCX-RTBURBONSA-N	415.562	6.044	30	20	HKED	
CC(C)c1ncc(Cl)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1	519392762	JRUXQXFKCWYMTN-UHFFFAOYSA-N	420.900	5.151	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1ccc(Br)s1	520187403	LPFJZXZVEYONLI-ZDUSSCGKSA-N	423.401	5.866	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1ccc(Cl)c(Cl)c1	521016176	OILAZIKAPLBOPL-MRXNPFEDSA-N	423.097	5.232	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	521329205	WQPHABLTRBTKAN-PKOBYXMFSA-N	411.546	5.071	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1	522708624	BFUIIVILHAKBOO-UHFFFAOYSA-N	415.493	5.901	30	20	HKED	
CCC(CC)[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccs1	524566645	XLORVDJTKORICM-QRWLVFNGSA-N	401.601	6.299	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1cccc(Br)c1	525137301	NNGYKKFYSMERBR-KBPBESRZSA-N	419.344	5.107	30	20	HKED	
COc1ccc(CSCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C#N	533945229	SNOSASSUVXBYQC-UHFFFAOYSA-N	414.836	5.111	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NCc1cn(CCC#N)nc1-c1ccccc1	537717813	BFWNZKBFOUSENN-NRFANRHFSA-N	413.569	5.763	30	20	HKED	
Cc1nc(-c2cccnc2)sc1[C@H](C)NC1CCC(Oc2ccccc2C#N)CC1	537980311	QJRDILNNGQXQTI-ATIQYGATSA-N	418.566	5.426	30	20	HKED	
Cc1sc([C@H](C)NCc2ccccc2C(C)(C)C#N)nc1-c1ccc(Cl)cc1	541646305	FRDSDKWAXZGHRN-HNNXBMFYSA-N	409.986	6.424	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1	542572136	YTVWKWNFJMVASA-CYBMUJFWSA-N	411.914	5.302	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1ccccc1Br	543067481	SODCUSQYNYAAJJ-CQSZACIVSA-N	417.372	5.617	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(CCC(F)(F)F)c1	544056346	GJWFIHQWEDCCOA-UHFFFAOYSA-N	419.247	5.125	30	20	HKED	
N#CC1(c2nc(Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)no2)CCC1	546338514	INMWYTYOAPVADT-UHFFFAOYSA-N	415.884	5.112	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c4ncccc34)n2)cc1	549087594	WDSFIGZTUAVKFL-KRWDZBQOSA-N	403.894	5.810	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2ccccc12	557728153	PFIJFAOBGXKFQV-MBSDFSHPSA-N	415.562	6.603	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1	574832126	QUVBJQJBPNMBLH-FOIQADDNSA-N	416.443	5.109	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1	576140508	QUPBMKNAYWGPBL-UHFFFAOYSA-N	424.382	5.879	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	577131012	CLZQXDKZTWPHQL-INIZCTEOSA-N	409.411	5.376	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2	583114207	ZGWCEGHUIGUVFV-VGOFRKELSA-N	421.566	5.154	30	20	HKED	
N#Cc1c(F)cccc1/C=C(\CC(=O)O)c1nc2cc(C(F)(F)F)ccc2s1	589554632	AAZVWXJLEOQQDD-IZZDOVSWSA-N	406.360	5.341	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccccc1C(C)C	603740183	URRXOFPRDWGLTK-UHFFFAOYSA-N	401.466	5.195	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1ccc(C)cc1	603765357	VYYDRKMSQPSIAK-UHFFFAOYSA-N	423.476	5.054	30	20	HKED	
N#Cc1ccccc1CNc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	604434647	IGNZSPXXAGXJLV-UHFFFAOYSA-N	413.374	5.581	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1	604673261	OXVCKHGFQQEOES-SFHVURJKSA-N	420.534	5.041	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	608553052	MZFBYDZIRZWRRT-LBPRGKRZSA-N	406.280	5.070	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](C)c1ccc(F)cc1	609060417	DIIHSQIUHPNHKP-QGZVFWFLSA-N	402.469	5.717	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1OC	609063104	XSSRXPULPPYXQL-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(OC2CCCC2)c1	609438553	KAJDFBHVBQIRDJ-MRXNPFEDSA-N	410.543	5.119	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ccnc3ccccc23)cc1	609906518	AIRUUUQZIACBFV-UHFFFAOYSA-N	423.491	5.407	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2oc3ccc(Cl)cc3c2C)c1C	610053506	JDMDENLPLSHSFW-UHFFFAOYSA-N	404.857	5.321	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccccc1Sc1ccccc1C#N	611549749	ZDKMCRWAUZBJMP-GDBMZVCRSA-N	404.457	5.512	30	20	HKED	
N#Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccs2)cc1Cl	619748210	AQXYILYUPCOFOF-UHFFFAOYSA-N	404.926	5.416	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	642636597	SNLDDUXUWFVCDH-SVDPJWKOSA-N	418.328	5.235	30	20	HKED	
C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(F)(F)CC1	669813366	ACODPBRPGAVUDZ-UHFFFAOYSA-N	421.451	5.175	30	20	HKED	
C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674423052	QAWGDEUOFXCALT-KPXOXKRLSA-N	422.291	5.149	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccc2ccccc2n1	677557017	AWJHPVYWQQXEIO-HXUWFJFHSA-N	400.441	5.335	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c12	679536819	RLPODXVHCLLGLO-GOSISDBHSA-N	424.504	5.727	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c[nH]c2c1	726145098	NLHYEANLHQRAJI-UHFFFAOYSA-N	409.489	5.303	30	20	HKED	
COc1cccc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)c1OC(F)F	727780884	VXWSOIUUYSLCKO-YHYXMXQVSA-N	413.189	5.021	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1ccc2ccccc2n1	727995761	CSHIWRLANCXPJS-SDNWHVSQSA-N	419.484	5.646	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1-c1ccc(C#N)cc1	731349798	SEKPLSGDQXNHCP-QGZVFWFLSA-N	414.534	5.612	30	20	HKED	
COc1ccc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)cc1OCCCC#N	732572118	YPNPLBGOYMBMLJ-LUAWRHEFSA-N	404.491	5.397	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(Oc2ccc(C)cn2)cc1	733323618	LOXMVPRDRNHAGT-SFHVURJKSA-N	407.539	5.259	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1Cl	733755038	LQZUUYDXEJAGGY-UHFFFAOYSA-N	420.243	5.615	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1	733773155	RUKPPIIZJVGRBC-URXFXBBRSA-N	416.546	5.517	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	735745373	GLEQNDAMZMDMEK-SJKOYZFVSA-N	424.353	5.100	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl	741067905	HMXODCRKPBLNCO-BLLLJJGKSA-N	424.353	5.243	30	20	HKED	
Cc1ccccc1-c1cnc(COC(=O)c2ccc(COc3ccccc3C#N)o2)o1	744823243	BMTFOLJPPXJXCH-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)CC1=O	747198536	YWJRVTWWDKRXJX-LZLYRXPVSA-N	409.555	5.009	30	20	HKED	
COc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1	749034552	JADJMGJLDPLAMR-JOCHJYFZSA-N	400.478	5.049	30	20	HKED	
COCCCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	749912985	YVOXFWHQRKNGTL-XMMPIXPASA-N	400.478	5.010	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1	750706068	OXZOIKLNUBKYFO-HXUWFJFHSA-N	418.453	5.025	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	752680796	WLDMYUDUNPEKSN-TZIWHRDSSA-N	408.933	5.244	30	20	HKED	
C=C[C@H](CC(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccccc1	758906587	DQJHEYGPJMGXSZ-GOSISDBHSA-N	420.534	5.036	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1	759181263	BCULBKXZGMUKJT-VYENPZKTSA-N	413.864	5.283	30	20	HKED	
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)CCC2=O)cc1C	760453789	TWUIXXCQPACJNR-OALUTQOASA-N	421.566	5.079	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1)c1ccncc1	765498728	ITRNANBQYUNKBN-NTKDMRAZSA-N	401.510	5.338	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	772666874	OSIVAFZNOPJLBI-PXAZEXFGSA-N	409.338	5.307	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	784617199	OEHNXQFFXUSIBR-HXUWFJFHSA-N	407.919	5.039	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCC[C@@H](C)c1cccc(OC)c1	790890188	HHKJZHNLVHRDNV-LJQANCHMSA-N	401.510	5.104	30	20	HKED	
N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nccc2ccccc12	792093578	KAFKDFYLDKBMEN-ZDUSSCGKSA-N	405.668	5.450	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cn1	792885024	SMKQCTWYRAADOX-OUKQBFOZSA-N	413.502	5.480	30	20	HKED	
CC(C)c1ccc(-c2ncc(COC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)s2)cc1	795825301	OHPIQBQTEWNQBU-OAQYLSRUSA-N	415.518	5.231	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1nc2cc(C(F)(F)F)ccc2s1	796813100	WIVGWAUOPJDDPC-FXPVBKGRSA-N	406.351	5.470	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	799891939	IKRQXRQVEUSYHH-JOCHJYFZSA-N	400.434	5.130	30	20	HKED	
N#Cc1cc(NC(=O)c2cccnc2F)ccc1Oc1ccc(C(F)(F)F)cc1	806950250	ZVUQOURLYBXRNH-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1c[nH]c2ccc(Br)cc12	811696646	GFBCXTGONXREGS-FNORWQNLSA-N	410.296	5.345	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915086308	IYUWSPCCSONBQL-HXUWFJFHSA-N	403.463	5.224	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915086384	JQMNLLKPMSTPQC-AOMKIAJQSA-N	417.490	5.370	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C/c1ccc2ccccc2n1	915860033	DUYNSBIJSLAYKE-JLHYYAGUSA-N	406.445	5.254	30	20	HKED	
CCOc1cccc2c1OCC(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)=C2	915862830	PFIUOBRXWRGHDS-QHCPKHFHSA-N	410.473	5.155	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)ccc2c1	916915530	FCDSILRGNVINOW-ZFVPXTALSA-N	420.468	5.362	30	20	HKED	
C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(OCc2ccccn2)c1	917559986	ZGTWJZQHUFTWAI-HZZGJGATSA-N	411.845	5.108	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1	919980804	QEGWZRZVSILBJT-DEOSSOPVSA-N	414.480	5.168	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140472	CRMGUHOCSKUQJP-KSSFIOAISA-N	421.909	5.287	30	20	HKED	
Cc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1	1790684896	ZLCWDBLZSUYFCP-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc(Cl)c4)cc3)CCC2)C1	1792120161	IGKYMGZCUGNSDM-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](CCC)CC1	1801812628	RDNIOTYOCUGSHW-HRMJIJJXSA-N	402.623	5.224	30	20	HKED	
C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@H](c4ccccc4)[C@@H](C)CC)CC3)C2)C1	1804777350	BCRALTMCHKTGGE-URXFXBBRSA-N	422.613	5.014	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1	1804866109	QICNPAAEJWEOOX-MEMLXQNLSA-N	402.623	5.036	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)c2cn(CCC#N)c3ccccc23)c1	7138038	FCPSEYOCNTUBMX-UHFFFAOYSA-N	400.507	5.024	30	20	HKED	
CCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C	10745750	GUKKBJHOGCJPHA-VQHVLOKHSA-N	424.522	5.191	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c2cnn(C(C)C)c2n1	41503011	CANYBYVFXXGAQK-OAHLLOKOSA-N	403.511	5.235	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21	301766098	UFSPJPXJHXFZPJ-CYBMUJFWSA-N	411.305	5.101	30	20	HKED	
C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nc2ccccc21	302849781	PZTDZYKWLVOVAW-UHFFFAOYSA-N	403.507	5.141	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1	409799734	XPIWZCLDOSZGGY-PPRPKMEESA-N	413.477	5.513	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1	426096387	BWTQVTUQFJIOBQ-UHFFFAOYSA-N	412.493	5.215	30	20	HKED	
Cc1nnc(Sc2ccc(NC(=O)c3cccc(SCC#N)c3)c(C)c2)s1	429798640	JVIKQLMTYQEKLT-UHFFFAOYSA-N	412.565	5.174	30	20	HKED	
N#CCSc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1	429926769	QUEAVXITEHXPJY-UHFFFAOYSA-N	424.529	5.085	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2sc(C3CC3)nc2-c2ccccc2)s1	430601128	CQLUHYLBKKAYMZ-OAHLLOKOSA-N	407.564	5.932	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)o1	432974478	SHFNODLYFNGSBQ-UHFFFAOYSA-N	414.509	5.179	30	20	HKED	
N#CCCC[C@@H](NCc1nnc(-c2ccccc2Br)o1)c1ccccc1	433019862	PUPOECBWWVKPMJ-GOSISDBHSA-N	411.303	5.024	30	20	HKED	
C=CCC[C@@H](NC(=O)CSc1nnc(-c2ccccc2C)n1CC)c1ccccc1	435292061	XKFCMSIDEZRKNU-OAQYLSRUSA-N	420.582	5.189	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	436351002	IFQUZXZESZBMGG-LXZKKBNFSA-N	417.481	5.217	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1	437503078	HTMYMBXOBFVRQP-KESTWPANSA-N	416.443	5.189	30	20	HKED	
Cc1cccc([C@H]2CCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C	438044710	NKQVGHKIKJFXDH-HTAPYJJXSA-N	407.583	6.314	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438659976	IZLYSRFFKZCHJM-NRFANRHFSA-N	418.472	5.890	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(F)(F)F)c1	441145047	SFVFYXOEFQQYPM-UHFFFAOYSA-N	403.448	5.743	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cs1	442532860	UKUIAUHUZCAOAW-HNNXBMFYSA-N	409.923	5.872	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC=C(C)C)c3)n2)cc1	442860795	LWEKYBDYLVCSPQ-OAQYLSRUSA-N	418.518	5.654	30	20	HKED	
CN(CCCCC(C)(C)C#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1	444668636	CQVVBQAALLQOKM-SFHVURJKSA-N	423.395	5.159	30	20	HKED	
Cc1ccc(-c2ncccc2NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)s1	446607626	YTJHRATZAWVMSM-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(F)cc(C(F)(F)F)c3)n2)cc1	447111410	RUXAJCNSQNGZOB-MRXNPFEDSA-N	415.371	5.330	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1	447231948	PPVBVUHGYCUVEI-INIZCTEOSA-N	403.979	5.461	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N1Cc2ccccc2-c2ccccc2C1	460556488	HOVIVYZHWZLMMS-UHFFFAOYSA-N	407.521	5.027	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)c1	462261118	IGNBBDYXPQBYFW-ZJSXRUAMSA-N	413.477	5.392	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)c1	464039946	CQQNEVNZPGMELL-NRFANRHFSA-N	412.436	5.125	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)NCc3ccc(-c4cccnc4)cc3)c2)cc1	464906879	YBTXKBJCKUMOGC-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)c1ccc(C#N)cc1	465658525	NWGWXWKJDJOISC-MRXNPFEDSA-N	415.459	5.792	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ncccc1OCCCC#N	466600287	JBOQURUGBLHINB-CYBMUJFWSA-N	407.301	5.296	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3CC(=O)c3ccco3)cc2)cc1	468233353	FUAATHZUUSYYQV-FQEVSTJZSA-N	414.461	5.016	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCC(C(F)(F)F)CC1	469041317	SXGOYWYVNICXFG-UHFFFAOYSA-N	402.416	5.966	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1	469117539	RRZLWIVJXUWRDK-OAHLLOKOSA-N	401.432	5.461	30	20	HKED	
CC(C)(C)c1cnc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	472380459	HAPXYMKTADSOMY-UHFFFAOYSA-N	405.523	5.066	30	20	HKED	
Cc1cc(F)c(Br)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	475043027	SEFLTKPORFGKMX-KXBFYZLASA-N	416.294	5.200	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1Cl	477323899	JZTIMHBSLHPHNO-HXUWFJFHSA-N	404.901	5.559	30	20	HKED	
C=C(C)[C@@H](NCc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc(F)c(F)c1	481621809	KXKWPEVYYVODFG-HXUWFJFHSA-N	401.482	5.362	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(COCc4ccco4)c3)c2)cc1	483038426	GPNNVVPMJZTUBY-UHFFFAOYSA-N	424.456	5.913	30	20	HKED	
N#CCC[C@H](NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1	483198513	MTNZRHOZRZWRTM-SFHVURJKSA-N	416.506	5.401	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(C2CCCCC2)n1)c1nc(-c2c(F)cccc2F)cs1	483523997	LWDGMKXNNSTNQF-AWEZNQCLSA-N	412.465	5.280	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccccc1-c1ccccc1	488737177	RYWSDJCGHMNREI-UHFFFAOYSA-N	413.424	5.370	30	20	HKED	
C[C@@H](Cc1nnc(SCc2cc(C#N)ccc2Br)o1)c1ccccc1	491884416	ATTIBZHTYJFUHM-ZDUSSCGKSA-N	414.328	5.342	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCc2ccccc2C1	499558409	ISRAJMYJOLGPKC-UHFFFAOYSA-N	411.505	5.426	30	20	HKED	
N#C[C@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc2ccccc2n1C(F)F	499600856	PTYKMEXTVJYJFA-OAHLLOKOSA-N	422.460	5.163	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@H]1c1nc(C)no1)c1ccc(C(F)(F)F)cc1	500096096	FUOMMXWZTAFQIX-ROUUACIJSA-N	422.451	5.341	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	500306561	PUFIAKKIZUSBJO-WOJBJXKFSA-N	400.444	5.365	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)n1	501343986	UOPICTZMCHYKCF-OAQYLSRUSA-N	412.518	5.162	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2C(F)F)cc1Cl	502170102	KZVFUOWURYQHIG-HKUYNNGSSA-N	403.860	5.647	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(Br)c1Cl	503152241	NLRSQQZIEZNJQB-NSHDSACASA-N	409.736	5.607	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(OC)c1OC1CCCC1	503476648	JEQARJGDYZOICM-UHFFFAOYSA-N	412.505	5.054	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	504395617	TXRNQVKOHAQVLY-UHFFFAOYSA-N	412.493	5.255	30	20	HKED	
FC(F)n1c(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc2ccccc21	505845001	JMEDKPFUBAXPDP-OAHLLOKOSA-N	423.307	5.843	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1	507835411	AIDDSUQOFOUKCP-UHFFFAOYSA-N	415.902	5.165	30	20	HKED	
COc1ccc(N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C(C)C)cc1F	509788726	JJUPFKCGHLQYAY-UHFFFAOYSA-N	418.468	5.340	30	20	HKED	
COc1ccc(CN2CCC(Oc3ccc(C)c(C)c3)CC2)cc1OCCCC#N	509957904	NNFTWSVYYZTSAS-UHFFFAOYSA-N	408.542	5.038	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1ccccc1F	510907223	ULVGCRHTTUQGAV-KRWDZBQOSA-N	403.457	6.023	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511541801	MRFLHLIHKCAMQM-LJQANCHMSA-N	407.411	5.311	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2cccc(OC)c2)cc1OCC	513638689	UPSXTAQKQJXKJJ-HNNXBMFYSA-N	420.347	5.272	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nc2ccccc2[nH]1	513653602	GIFKFMLCZLVFJI-AWEZNQCLSA-N	422.307	5.544	30	20	HKED	
N#CCCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)Cc1ccccn1	513736930	PEGSGJZGEVEHFX-UHFFFAOYSA-N	422.872	5.351	30	20	HKED	
C=CCN(Cc1cccc(C(=O)NCc2ccco2)c1)Cc1ccc(Cl)s1	515780240	LZKRXZKDUXYQTG-UHFFFAOYSA-N	400.931	5.113	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccc(Cl)c1Cl	517492338	VFXIXNYQJDQTPQ-OAHLLOKOSA-N	423.097	5.232	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COC(C)C)cc3)n2)cc1	517800858	MBOXUUNXGDVFAQ-FQEVSTJZSA-N	406.507	5.234	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc2ccccc2c1	518133346	KNTLLOWONMONKT-QZTJIDSGSA-N	420.603	6.524	30	20	HKED	
C[C@H]1Sc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2NC1=O	518231678	CBIMOWFSMFXIQY-CQSZACIVSA-N	415.474	5.036	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)c1ccc(C#N)cc1	518704810	NNAYFKNHMRDALX-JLTOFOAXSA-N	412.331	5.222	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1C	518827987	DZKCPTOCWWWKLP-QFIPXVFZSA-N	416.550	5.591	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1	520889812	TXEXTSNLVIKSQS-HSZRJFAPSA-N	419.569	5.241	30	20	HKED	
Cc1c(C#N)c(NC(=O)CS[C@@H](C)c2ccc(F)cc2)n(Cc2ccco2)c1C	521612058	MXJDSGWVNUHNJW-INIZCTEOSA-N	411.502	5.190	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	521813532	XWSJCUBLYKHNBA-QZTJIDSGSA-N	407.583	5.249	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)Cc1cccs1	524541567	CLIGPIIMJGOZQJ-KRWDZBQOSA-N	405.523	5.260	30	20	HKED	
Cc1ccc(OCc2nc(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)cc1	531210740	NCENGJBYGKKRKM-PKTZIBPZSA-N	403.551	5.302	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1Cl	534139715	DHTUBRYSNBMZQD-FQEVSTJZSA-N	403.869	5.376	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1	534733885	XYAPOOZCQNSICY-CRAIPNDOSA-N	415.946	5.419	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1ccc(-c3ccccc3C#N)cc1)CCC2	538109045	BBVIGQDMBSMPTB-QFIPXVFZSA-N	416.550	5.209	30	20	HKED	
CCN(C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc(C#N)c(Cl)c1	539173707	HDYOFLOMUSBJQS-UHFFFAOYSA-N	402.306	5.655	30	20	HKED	
C=CCC[C@@H](NCc1nnc(Cc2ccccc2C)o1)c1ccc(C(F)(F)F)cc1	539330361	HCJVNRPVFVQLCO-HXUWFJFHSA-N	415.459	5.785	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cccc(OCc2cccnc2)c1	539940691	ODRQOSQXSVDNTL-GOSISDBHSA-N	417.534	5.236	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ncc(-c4ccccc4)[nH]3)cc2)cc1	541063657	UARSKKBRBOMWTE-UHFFFAOYSA-N	409.449	5.062	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3ccccc3Cn3cccn3)no2)c2ccccc21	546286854	GGGUJMJSDNBKGT-VAWYXSNFSA-N	420.476	5.020	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)Nc2scc(C)c2C#N)c2cnn(C(C)C)c2n1	554774483	MHOOIUDBJDPSAT-UHFFFAOYSA-N	415.522	5.482	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	555126711	GXOJPODGQCIKFG-KRWDZBQOSA-N	400.482	5.308	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2C)c1	572895969	OWPBAMHAYHPFFK-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	573160619	PEWXINROJQPAGF-QWRGUYRKSA-N	407.285	5.327	30	20	HKED	
C=C(C)COc1cc(CNc2ccc(C(=O)NCCC)c(Cl)c2)ccc1OC	578175919	DMDIJYQJHQEQIN-UHFFFAOYSA-N	402.922	5.055	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccccc2)[nH]1	578280520	FIFMZPFJODCTOK-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
COc1ccc([C@@H](Cc2ccncc2)NCc2ccc(-c3ccccc3C#N)cc2)cc1	579335757	MXCLZTHEAOZWGI-MUUNZHRXSA-N	419.528	5.702	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)n2)cc1	580021626	FYDFYWNYLYBCJU-UHFFFAOYSA-N	409.339	5.231	30	20	HKED	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	581207925	JJPTYDHHRISIOV-GCJKJVERSA-N	421.972	5.223	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)cc2)ccn1	584024249	ZGXKXJHOMBMFIY-QFIPXVFZSA-N	418.884	5.768	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c3c2CCC3)c(C)c1	592975942	ZGTPTPDLNUEOTQ-FQEVSTJZSA-N	406.489	5.016	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N(Cc1ccco1)Cc1cccs1	601186402	NZHGDWXBGFKDOM-UHFFFAOYSA-N	413.502	5.370	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3sc4cc(F)ccc4c3Cl)c2C#N)C1	602754887	ACFKUNDCOWESCR-SECBINFHSA-N	404.919	6.004	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c1	603995898	SQPVIXLZDQIWHL-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1	604104144	JNNWZQGJEWWNLB-OAQYLSRUSA-N	410.304	5.454	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1	609018667	KFMKYTRERKKPAA-PXNSSMCTSA-N	420.538	5.039	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC2)c1	609211821	YJVQNULDEVPIIZ-DEOSSOPVSA-N	421.516	5.182	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	609370694	OYTSUFRIOAQKTJ-KRWDZBQOSA-N	422.579	5.306	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)c2)cc1	609987386	AZZWBWVWYRILHS-UHFFFAOYSA-N	424.504	5.180	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCC(=O)OC(C)(C)C	611357617	PBDNLZSBRUPPPE-UHFFFAOYSA-N	423.513	5.293	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(Cl)s3)o2)c(Br)c1	611491783	OGELFZVSQXWSJY-UHFFFAOYSA-N	412.721	5.378	30	20	HKED	
N#C[C@H](C(=O)c1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613347238	XUZMMUGSDDCLNW-GFCCVEGCSA-N	409.244	5.885	30	20	HKED	
CCOc1ccc2c(c1)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)CCO2	614169685	KQOVFGWZLKQSQO-MAUKXSAKSA-N	411.527	5.125	30	20	HKED	
CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCCC1	727134587	ZYTXOOLXPYWMIC-OAQYLSRUSA-N	419.525	5.118	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(O)c(C)c4)c23)cc1	728225471	SVEYCXBCXUSSIE-UHFFFAOYSA-N	404.495	5.217	30	20	HKED	
Cc1ncccc1/C=C1/CCc2nc(-c3ccc(Br)cc3)sc2C1=O	728786933	ATFXGZXRLHIFKA-PTNGSMBKSA-N	411.324	5.489	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2[nH]1	730071178	LUYHNFBFOBJMLN-LJQANCHMSA-N	415.880	5.214	30	20	HKED	
N#Cc1ccc(CSCC(=O)O[C@H](c2ccc(Cl)cc2)c2cccnc2)cc1	730427469	CNUZLLYWEHBAFA-JOCHJYFZSA-N	408.910	5.173	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl	731061170	CAALGLKEGUTEHN-GFCCVEGCSA-N	423.321	5.183	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl	731136478	QWKFSENSRHHCEZ-RHSMWYFYSA-N	401.293	5.151	30	20	HKED	
CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	735039748	DVTYVGLBEKZPKA-NRFANRHFSA-N	422.916	5.045	30	20	HKED	
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)Nc1cccc(OCC#N)c1	738902314	ZBEDPNIVJGJGLD-IBGZPJMESA-N	401.894	5.160	30	20	HKED	
C=CCCSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	739430885	GVUVZOOMLXGCRG-FOWTUZBSSA-N	404.944	5.463	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccnc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	741113700	QENJUFUJUHQEJZ-ROJDOSBLSA-N	417.440	5.526	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c1	741563636	HQDZEWYBKNGTAS-DOTOQJQBSA-N	404.432	5.196	30	20	HKED	
CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)c(F)c1	741760262	VQQKOKJVWPCJBY-UHFFFAOYSA-N	409.697	5.026	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1OC(C)C	744444645	YIICYRSKXHYCLY-OAHLLOKOSA-N	413.449	5.092	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccc(OCc2ccncc2)cc1	745626898	UURAJPNRXRTXTK-RAXLEYEMSA-N	409.489	5.359	30	20	HKED	
C#CCCN1CCC(NC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)CC1	747403823	AKCSVQIDAIMGFB-UHFFFAOYSA-N	419.327	5.017	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc(Cl)s3)n2)cc1	750693852	ZXGVMBFHEHURBZ-FZMZJTMJSA-N	402.928	5.514	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1	751012993	BALXTUCFAVBHCI-UHFFFAOYSA-N	407.470	5.616	30	20	HKED	
Cc1c(C(=O)/C=C\c2cnc(-c3cccs3)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	751515065	YTBFGPWQZBMFFH-WAYWQWQTSA-N	415.452	5.201	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)/C=C/c3cnc(-c4ccncc4)s3)c2C)c1	753142985	CDFVDYQTLZBXHS-VOTSOKGWSA-N	400.507	5.212	30	20	HKED	
Cc1cc(F)cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-]	753352881	MZCYBFJZUQHPBU-LJQANCHMSA-N	423.831	5.604	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1OC(F)F	753398594	RXQIJDRPLBMTPU-ISBHARSQSA-N	411.433	5.086	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc2ccccc2nc1Br)c1ccccc1	760161935	DXOIKIPBMQJWGN-MRXNPFEDSA-N	409.287	5.164	30	20	HKED	
CCCCOc1ccc(/C=C/C(=O)c2cc(Br)ncc2F)cc1OC	762422741	LZWJBEVEAIFDSC-FNORWQNLSA-N	408.267	5.067	30	20	HKED	
COc1cc(Cl)c(/C=C/C(=O)c2cc(Br)ncc2F)cc1Cl	762426263	OTJXQLPNESYOTJ-NSCUHMNNSA-N	405.050	5.195	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1	767714754	RZTQTZCOYBKQKZ-UHFFFAOYSA-N	418.497	5.402	30	20	HKED	
O=C(/C=C/c1cccc(-c2cccnc2)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	768490737	RDPWVZYEAHOOLX-XNTDXEJSSA-N	417.530	5.361	30	20	HKED	
CCCCN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	770118013	FRDHFIBIWCKRAU-OAQYLSRUSA-N	414.534	5.408	30	20	HKED	
N#C[C@H](C(=O)CCCc1cccc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	770843014	WNKSAUQGKKJOGP-OAHLLOKOSA-N	421.369	5.649	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](C3CCCCC3)C2=O)cc1Cl	771820099	QWXBMRIETQPRSS-FPOVZHCZSA-N	407.901	5.001	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)Cc1ccccc1CC#N	776886851	PJYXVEWNCVBCOT-UHFFFAOYSA-N	404.897	5.475	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nc2cc(C(F)(F)F)ccc2n1C	777094041	LEFNTMNXIOPQLE-CYBMUJFWSA-N	413.399	5.065	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)c(Cl)c1	779131548	MZXXUOVDVZQHEQ-UHFFFAOYSA-N	410.251	5.386	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1cccnc1)c1cc(Br)cs1	782369138	LBOKPWQCDQWQLH-FPLPWBNLSA-N	400.297	5.381	30	20	HKED	
N#C[C@H](COC(=O)C1CCC(C(F)(F)F)CC1)Cc1ccccc1Br	786636570	JBYOIQBZWIGSSE-DNOWBOINSA-N	418.253	5.043	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C\c1csc(-c3ccc(C(F)(F)F)cc3)n1)C2=O	788356806	PBKHDHNOWHTVSP-OVCLIPMQSA-N	411.408	5.308	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1SC(C)(C)C	788759672	VMYHVUSSMYPUEO-SFHVURJKSA-N	421.610	6.333	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(C(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	790771758	DCCGWVNSSZSNDJ-CYBMUJFWSA-N	410.367	5.672	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(C3CC3)cnc2Cl)cc1F	793582348	IQEVWGAXQSKUSX-UHFFFAOYSA-N	407.832	5.668	30	20	HKED	
C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	796633031	QEZLOQPDJBMXQE-UHFFFAOYSA-N	417.578	5.388	30	20	HKED	
N#CC[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	796648658	DQRNTRDOKLEPIM-GOEBONIOSA-N	413.424	5.579	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3ccc(OCc4ccccn4)c(Cl)c3)CC2)cc1	796914862	AWGJGCIJAQJSMZ-UHFFFAOYSA-N	418.928	5.267	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(c3cccc(Br)c3)CC2)s1	797568202	GJAWVIVFWMKZSU-CQSZACIVSA-N	403.345	5.111	30	20	HKED	
CC(C)(C(=O)OC[C@H](C#N)Cc1ccc(F)cc1)c1csc(-c2cccs2)n1	800386151	GFTPQIZLZNPGSE-HNNXBMFYSA-N	414.527	5.214	30	20	HKED	
Fc1nc(F)c(F)c(N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1F	804712651	KOMLHFZFTXKJGZ-AWEZNQCLSA-N	408.317	5.237	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	805865225	WHOVHJVJSADVSG-AOMKIAJQSA-N	422.513	5.285	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ccc(Br)cc2F)cc1OC	826572931	XATBCRQPYDGVLX-UHFFFAOYSA-N	416.674	5.200	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccccc2COCc2ccccc2)c1	864004025	CDHDBEOQTRTUAJ-UHFFFAOYSA-N	407.311	5.650	30	20	HKED	
C=C[C@@H](Cc1nc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)no1)c1ccccc1	904716131	MJANYLIULSPGQU-SFHVURJKSA-N	405.498	5.274	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915086323	JIECVMUFGOQVHN-DEOSSOPVSA-N	424.479	5.536	30	20	HKED	
N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F	915106902	IEUGRUPQPSRSDN-OAHLLOKOSA-N	419.884	5.834	30	20	HKED	
N#CCCn1cc(C=NN(Cc2ccccc2)c2ccccc2)c(-c2ccccc2)n1	916250112	VRQZGTXYPQNMMB-UHFFFAOYSA-N	405.505	5.504	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C/c1cc2cnn(C(C)C)c2nc1Cl	917146182	UDGIDRCLSFJSMC-MDZDMXLPSA-N	405.889	5.260	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1COc2ccccc2C1	919899927	AKHMPVNXRLOLRH-LJQANCHMSA-N	413.477	5.032	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1	920082239	XGOPEAQPZQHAHL-SFHVURJKSA-N	417.921	6.304	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(F)cc4)CCC3)n2)cc1	920143948	VDTTVBKCJVRWQY-IBGZPJMESA-N	406.482	5.256	30	20	HKED	
COc1ccccc1CN(CCC1(C#N)CCCCC1)c1ccc2nc(O)[nH]c2c1	1167789399	PTQPGTLBSSARBT-UHFFFAOYSA-N	404.514	5.148	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2C)CC1	1827806405	TZXURQMSWLXEHL-OAQYLSRUSA-N	416.631	5.282	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1	1831368431	YKKIFPFEQOKDFO-VGSWGCGISA-N	416.993	5.094	30	20	HKED	
C=C1CC(C(=O)N2CC3(CCCN3C(=O)CCCCCCCCc3ccccc3)C2)C1	1847025657	LLLCHNXLNDMUFV-UHFFFAOYSA-N	422.613	5.129	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2Cc2ccco2)cc1	15243117	REFCHMSYUGJWNI-QGZVFWFLSA-N	419.554	5.420	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1OCC(F)(F)F	46033293	NHKPWKSNYBLEPG-GOSISDBHSA-N	418.419	5.044	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1	47571367	DLULPFLRMSZDHM-UHFFFAOYSA-N	415.541	5.371	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)n1	48789021	OPSJLAVPNBCIOK-CYBMUJFWSA-N	403.326	5.433	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F	63390440	HTQXATJYTVCBGD-UHFFFAOYSA-N	423.822	5.373	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])s3)ccc2N1	117231892	SMKJZPMCCUNXPZ-JXMROGBWSA-N	404.447	5.104	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)Nc3nc(C)c(SCC#N)s3)s2)c(C)c1	149515685	UBEJPIKBPHDWGU-UHFFFAOYSA-N	400.554	5.060	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)cc2)c1	303534279	RXHZHDSTRWEPLR-FCHUYYIVSA-N	404.416	5.158	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1	303675372	QHARRPLGQHPMJE-NDEPHWFRSA-N	402.535	5.093	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl	303929535	ZUDGRDKOUXEEHD-SJORKVTESA-N	421.859	5.589	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)CSCc3ccc(C#N)cc3)ccc2C)c1	303975447	VIPGUCDBOXIHQN-UHFFFAOYSA-N	403.507	5.234	30	20	HKED	
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	409663537	AWGOQGATUXENQZ-KGLIPLIRSA-N	419.344	5.249	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc3c(ccn3Cc3ccccc3)c2)nc2ccccc21	433099884	CAIPUCCLVXEQPV-NRFANRHFSA-N	404.473	5.066	30	20	HKED	
CN(C)[C@@H]1CCOc2c(NCc3cccc(OCc4cccc(C#N)c4)c3)cccc21	433204654	CEGCJRJWLMDAQC-RUZDIDTESA-N	413.521	5.135	30	20	HKED	
Cn1cc(C#N)cc1C(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	433524914	LJZWAQGERCEINW-UHFFFAOYSA-N	416.481	5.006	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1cc(C#N)oc1C	435445996	IOYPYIBADKQIHV-UHFFFAOYSA-N	416.456	5.757	30	20	HKED	
CS[C@H]1CCCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	435664422	SSVPXSRUTVLHBV-QFIPXVFZSA-N	409.555	5.081	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO	437757139	IHEQTZMRWKRUTQ-IEBWSBKVSA-N	411.571	5.005	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1	437764809	PEGKAQPODRJRFE-DVECYGJZSA-N	424.541	5.088	30	20	HKED	
C[C@@H]1CCC[C@@H](OCc2cccc(N[C@H](C)C(=O)N(CCC#N)c3ccccc3)c2)C1	439573374	SELIAYMUHRKGHF-DNRQZRRGSA-N	419.569	5.529	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@H](CCC#N)c3ccccc3)c3c(C)noc3n2)c(C)o1	439661597	ACYZKFLZJPYUPG-FQEVSTJZSA-N	414.465	5.183	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cnn1-c1cccc(C#N)c1	439686892	UWPHISRTROHSRY-VGSWGCGISA-N	417.513	5.295	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)n1	443522842	QRQPFEYVAXAHEG-LBPRGKRZSA-N	413.886	5.292	30	20	HKED	
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Br)s1	443812416	CRPVNWPJAZXSDU-SNVBAGLBSA-N	409.374	5.455	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(Cl)c1	444904374	HUSIDHLYNCECNC-JXFKEZNVSA-N	413.974	6.351	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1	446420850	MDCHWIPZWFQHTJ-UHFFFAOYSA-N	420.300	5.156	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl	447131445	AKLVXPFHXDHWQM-HNNXBMFYSA-N	423.925	5.002	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1	447697113	WONXRWBUWUMKIG-FCHUYYIVSA-N	402.494	5.276	30	20	HKED	
Cc1nc2ccccc2n1CCc1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1	460826330	HCRZJWUTTYBSPH-VAWYXSNFSA-N	422.492	5.009	30	20	HKED	
CCc1nnsc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	464300804	MANMRVMQNZLSTB-UHFFFAOYSA-N	418.400	5.036	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(-c2ccccc2)nn1	472000085	SYBIDWBPHRRDCE-UHFFFAOYSA-N	422.513	5.443	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	475310298	OAOCVRRCHKFFRM-UHFFFAOYSA-N	404.853	5.246	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(I)c(F)c1	476118128	AOURYVMRCJVFAF-UHFFFAOYSA-N	423.269	5.535	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ncccc1OCc1cccc(Cl)c1)c1ccccc1	476241452	ZQADWJBSAYXOIT-IBGZPJMESA-N	405.885	5.340	30	20	HKED	
N#CC[C@H](CC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1	476344361	XVLRSHOHFJFVPH-AEFFLSMTSA-N	403.309	5.061	30	20	HKED	
N#CC[C@@H](CC(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1)c1ccccc1	476437098	PPCDEWIIJQZGEP-NRFANRHFSA-N	420.557	5.480	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)c2ccccc21	477370208	AZVAXFHCMORLOH-UHFFFAOYSA-N	403.913	5.528	30	20	HKED	
CC(C)CN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCCc2cccnc21	480556915	SFBZFNGRLCFCGI-GHTZIAJQSA-N	422.598	5.901	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)c2)cc1	483418001	SHCNLHQHBVQOTE-NRFANRHFSA-N	410.395	5.774	30	20	HKED	
COc1ccc(-c2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)sc2C)cc1	487456469	UVYPZFAJACPDNB-JOCHJYFZSA-N	404.535	5.897	30	20	HKED	
CC(C)n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1-c1ccccc1	488210462	CKUPTHHFZFVGOC-INIZCTEOSA-N	419.435	5.366	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)ccc2C#N)c(Cl)c1	488787944	RVWAKOVXEVRUAL-LLVKDONJSA-N	413.852	5.362	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(Cc4ccccc4)no3)o2)cc1	489803803	FGNYWZCLTHSSIG-OAHLLOKOSA-N	420.494	5.129	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	490746071	NEKOJFREBDYONC-OAHLLOKOSA-N	423.416	5.247	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cc(F)c(OC(F)F)cc1F	491415459	PYEPFGAPKSAWOB-VIFPVBQESA-N	424.316	5.810	30	20	HKED	
N#C[C@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1c(Cl)cccc1Cl	499836668	VNPLQAKVXPMJDJ-IBGZPJMESA-N	411.288	5.491	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NCC2CCCC2)cc1	503216830	MQMYXUIQYCGYES-QGZVFWFLSA-N	408.571	6.327	30	20	HKED	
CCn1c(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc2cc(F)ccc21	505873746	AKTJGEQFANTKOH-QGZVFWFLSA-N	419.344	5.607	30	20	HKED	
C[C@H](c1ccccc1Br)N(C)C(=O)N[C@H](CCC#N)c1ccccc1	506351507	NLTLDBBXHPQTKF-DNVCBOLYSA-N	400.320	5.197	30	20	HKED	
CCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)[C@@H](C)c1ccc(C#N)cc1	509586973	KMHJUQXEUNKUKX-INIZCTEOSA-N	404.535	5.827	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3scnc3c2)cc1	513971479	KNDSFKNTLJLTTE-UHFFFAOYSA-N	416.481	5.541	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc2ccccc2n1C(F)F	517281477	NKYFYUHVNAPDKT-MRXNPFEDSA-N	420.444	5.468	30	20	HKED	
C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	517355696	WTMKWYLRIZDEDH-BXKMTCNYSA-N	416.452	5.092	30	20	HKED	
CC1CCN(CCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	517879544	GXOLOGOGZYZKLV-UHFFFAOYSA-N	421.610	5.092	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)c1cccc(Cl)c1	518259031	BRFRQSVZRJHWFT-HNNXBMFYSA-N	401.963	5.834	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](N4CCCCC4)C3)cc2Cl)cc1	518630462	MEEVBDUFQFRAJL-LJQANCHMSA-N	424.932	5.096	30	20	HKED	
CCC(CC)c1nnc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)s1	518895571	UTSQCHDUIRRYBP-UHFFFAOYSA-N	422.558	5.088	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1cccc(Cl)c1	520195725	IYZYYGZXPCUMIN-HNNXBMFYSA-N	403.935	5.277	30	20	HKED	
Cc1cc(C)nc(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	520514620	RAKLBQPHGVEZFP-IBGZPJMESA-N	422.941	5.133	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	520711916	DYTGSENXTOLASS-AEFFLSMTSA-N	420.862	6.114	30	20	HKED	
COC(=O)c1sc2cccc(F)c2c1CNc1ccccc1SC[C@H](C)C#N	520827549	LQYAXWHPXVBVCL-CYBMUJFWSA-N	414.527	5.691	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	522319910	VYNHDDYGSCVDQI-VWLOTQADSA-N	412.489	5.123	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C1CCCCC1	522333384	UACKUJKNDWLPQO-OAQYLSRUSA-N	406.530	5.697	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(-c2c(F)cccc2F)n1	523583438	OVXOMNBPFSHAKE-UHFFFAOYSA-N	421.428	5.400	30	20	HKED	
CCc1c(C)sc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1C#N	524330456	MFBCLOXGKZAROZ-UHFFFAOYSA-N	415.603	5.075	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCc2cccc(COCc3ccco3)c2)CC1	536636908	IXYYJUPPUQQGID-UHFFFAOYSA-N	400.522	5.490	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3coc(-c4ccccc4Cl)n3)n2)cc1	540684796	OICVVBDKXAQBDO-MRXNPFEDSA-N	419.893	5.917	30	20	HKED	
C[C@H](NC(=O)NCc1ccn(C2CCCC2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541119715	MQHYHDCJGAWNIH-SFHVURJKSA-N	413.525	5.097	30	20	HKED	
C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542928661	UXEIZAXGMCQDKC-KRWDZBQOSA-N	409.489	5.065	30	20	HKED	
C[C@H](C#N)CNC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C	543805306	MAKYKJOKTKGGAI-IIDMSEBBSA-N	406.917	5.199	30	20	HKED	
CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1	543897050	MLHJCVTZYWLVLU-GKVQRAMASA-N	405.542	5.179	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)s1	544249913	KDHIIOQGQWQSFD-HXUWFJFHSA-N	417.538	5.148	30	20	HKED	
Cc1c(O)nc(SCc2ccc(Br)cc2C#N)nc1-c1ccccc1	553434027	DPNHMVMEJPMFFW-UHFFFAOYSA-N	412.312	5.084	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)CC1	554239209	OPUXBIPDSGJIEC-UHFFFAOYSA-N	402.441	5.394	30	20	HKED	
N#CCCC[C@H](NCc1ncc(-c2ccc(Br)cc2)[nH]1)c1ccccc1	556907202	LTMHQSDIWXMFJJ-IBGZPJMESA-N	409.331	5.364	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@](C)(C#N)C4CCCCC4)cc3)o2)cc1	563974805	PGGYTUFUFHSCNS-VWLOTQADSA-N	414.509	5.304	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1F)c1nc(-c2ccc(Br)cc2)cs1	574607295	WVZCOEVLSKMYHA-GFCCVEGCSA-N	416.319	5.434	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccncc3Oc3ccccc3)cc2)ccn1	581282204	CPJIZDVZPVKILU-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Br)c1	588313368	JPPPFLINHAUWLS-SFHVURJKSA-N	414.303	5.088	30	20	HKED	
CCn1cc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	588739241	ZPSDNFMXNRVUTR-HNNXBMFYSA-N	414.328	5.193	30	20	HKED	
COc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)cc(Cl)c1OCCC(C)C	602754544	NVFAPXRUJIWWMY-UHFFFAOYSA-N	418.946	5.448	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)[C@H](C)c1ccc(C#N)cc1	603528688	CMSDXRCPZVMDCV-GOSISDBHSA-N	417.578	5.957	30	20	HKED	
Cc1nc(SCC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c(C#N)c(C)c1C	603578404	UIDLMGIPZSEQOH-HSZRJFAPSA-N	419.525	5.016	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2ccccc2F)n1	603681471	SSKRFDCCPMMROO-UHFFFAOYSA-N	422.529	5.251	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OCC)n2)nnc1-c1ccccc1F	605903281	KAJDDYUPSQYVHL-ZDUSSCGKSA-N	404.536	5.117	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1	606943718	DXVKAZNLASLOHY-UHFFFAOYSA-N	416.543	5.093	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2sccc2s1)c1ccc(OCc2ccccc2)cc1	609174738	VNWJTJLKHXLTTK-GOSISDBHSA-N	404.516	5.536	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc4ccccc4n3CC#N)s2)cc1	609343624	NZECBPHRWAPTGV-MRXNPFEDSA-N	414.534	5.396	30	20	HKED	
Cc1nc(SCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(C#N)c(C)c1C	609381591	RGHGOVVHBRAZAU-JOCHJYFZSA-N	418.566	5.206	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1	609430753	VRROVMJEHZBPEV-CYBMUJFWSA-N	413.955	6.110	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1cccc(C#N)c1	610353527	DTSCMPUPLUTYBU-HNNXBMFYSA-N	407.420	5.189	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1	610402863	SMSRSDAZCSXYPP-DZGCQCFKSA-N	424.957	5.765	30	20	HKED	
C=CCN(C(=O)c1cc(F)c(C)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	610705572	VGSQHMYRSLRPML-UHFFFAOYSA-N	415.421	5.138	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc(C#N)c1	613372714	DLFHZIXJNCQWLC-IFXJQAMLSA-N	420.513	5.259	30	20	HKED	
CC(C)[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	618547573	UOKVBBYWDOBJPS-VNHYZAJKSA-N	414.365	5.295	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(Sc3ccccc3)c2)CC1	619727024	OUWZTFWZODCDOF-UHFFFAOYSA-N	414.534	5.322	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1	674042924	FVZNCMFVFTULFQ-OAQYLSRUSA-N	405.482	5.748	30	20	HKED	
C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1ccccc1Cl	685554030	WVHQBSXOABTLTP-IBGZPJMESA-N	424.932	5.047	30	20	HKED	
O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2cccc(Cl)c2Cl)cc1	727058107	GVGRIIYMLTWHEU-UHFFFAOYSA-N	420.321	5.240	30	20	HKED	
CCc1ccc([C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	727954055	UCXDJNOULFNJGB-GCJKJVERSA-N	412.489	5.492	30	20	HKED	
Fc1ccccc1-c1nc2c(s1)C(=NNc1c(F)c(F)nc(F)c1F)CCC2	731924109	SBNYRGMKVMCGJY-UHFFFAOYSA-N	410.371	5.053	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)c1	733786194	AESIWKWTXGVBHP-ZDUSSCGKSA-N	402.281	5.086	30	20	HKED	
N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1nc(-c2ccncc2)cs1	734083034	KZAJNYDTQSNJIJ-AWEZNQCLSA-N	422.560	5.173	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)[nH]c12	735789053	JBPCWPXRHQBLMW-PODYEWJSSA-N	403.791	5.433	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)Sc3cc(Cl)ccc3Cl)[nH]c12	735789809	QYVYKOWKNOSCON-AAEUAGOBSA-N	404.322	5.535	30	20	HKED	
CN(C)C(=O)Sc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	737835866	NJUQVCUGWVQFPX-UHFFFAOYSA-N	416.506	5.328	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)n1	739511330	DVDABVNXDLKIFE-HSZRJFAPSA-N	409.514	6.026	30	20	HKED	
COc1ccccc1-c1ccc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc1	741456116	OZXSEXNUOUEPBE-UHFFFAOYSA-N	406.441	5.146	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1C(F)(F)F	743216505	QLTWGLKMSAQLSU-UHFFFAOYSA-N	412.415	5.470	30	20	HKED	
C[C@H](C#N)CN(C)Cn1nc(-c2cccs2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S	746706551	MVADUYNMZZQDBB-ZBRFXRBCSA-N	415.632	5.189	30	20	HKED	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	748944558	HYWXDAGCXUGDPQ-QHCPKHFHSA-N	415.493	5.246	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Br)c1	751084321	OCJFFYDLOJCEAY-HXUWFJFHSA-N	421.294	5.365	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c1	755802402	WETUDNZPUCFYPL-OAQYLSRUSA-N	408.523	5.081	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C/c2ccc(Cl)nc2)cc1	758958790	YBNBCUXILDITHZ-NYYWCZLTSA-N	405.841	5.059	30	20	HKED	
Cc1cccc(Oc2ccccc2NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1	761816575	PGPDTUNAURHTPX-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
CC(C)(C)OC(=O)NCC1(CC(=O)[C@H](C#N)c2ccc3ccccc3n2)CCCCC1	766275094	MFZJWKQSGPCBQQ-LJQANCHMSA-N	421.541	5.276	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccc(C)cc1	768403932	UCDYGHVSSBEXDT-UHFFFAOYSA-N	403.507	5.147	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1	769305092	HOPAHUAPDQTQLT-QFBILLFUSA-N	422.916	5.060	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)cc1	770146486	PNEPHFVKCYTNPI-JOCHJYFZSA-N	424.422	5.464	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	772453941	RJARHGZFDRBBMV-MJGOQNOKSA-N	415.578	5.448	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	775226521	FLXBHDRAYXPYOO-ZDUSSCGKSA-N	423.271	5.814	30	20	HKED	
CC(=O)[C@@H]1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1(C)C	781448866	MPNQMUHFWXRHIJ-QLFBSQMISA-N	421.349	5.544	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC3(CCCCC3)CC2)ccc1OC	786761457	RCUORZKWMQCITB-HXUWFJFHSA-N	413.562	5.022	30	20	HKED	
Fc1ccc([C@@H](CC(F)(F)F)NCc2ccc(Cl)nc2C(F)(F)F)cc1	787278512	FYQIGFZGRBMKCJ-GFCCVEGCSA-N	400.725	5.676	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3cccc(CC[C@@H](O)c4ccccc4)c3)CC2)cc1	796919875	VUOOCQIWHZPARY-HHHXNRCGSA-N	411.549	5.305	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1=S	800866227	CFKNUJSWUXRYCB-WKCHPHFGSA-N	417.582	5.030	30	20	HKED	
C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)cc1	810258638	XUFYUKVRGAALCH-HRAATJIYSA-N	421.541	5.858	30	20	HKED	
C#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1	812752321	CAFXVRDLMSDKMG-GOSISDBHSA-N	417.267	5.211	30	20	HKED	
CC(=NNc1cncc(Br)c1)c1sc(Cc2ccccc2)nc1C	814886556	FFKKRTBEPFZZSC-UHFFFAOYSA-N	401.333	5.036	30	20	HKED	
CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(Cl)s2)cc1	839395406	XKMWVTGISOUXIJ-UHFFFAOYSA-N	406.964	5.040	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)n1	915085382	BDTXEDNJSHIDJT-VWLOTQADSA-N	406.489	5.397	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1	915086088	GEXKESAVCFRMOW-DEOSSOPVSA-N	418.500	5.269	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)n1	915644762	OXJMNXHTYBJSGL-SANMLTNESA-N	420.516	5.326	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)oc2c1ccc1ccccc12	916882794	LBHUSBUJUAGSIO-IBGZPJMESA-N	402.837	5.509	30	20	HKED	
N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)cc1	916885110	NAZPDSNKZHZNQI-ZDUSSCGKSA-N	413.713	5.086	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996668	NPLSXVWPLGTEHP-INIZCTEOSA-N	401.318	5.926	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1	917026918	SMFWYIWAIKFXNL-YLJYHZDGSA-N	404.535	5.886	30	20	HKED	
N#Cc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)c(C(F)(F)F)c1	917843406	ZKDPHCQDXTYDKC-UHFFFAOYSA-N	403.381	5.012	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4cccs4)oc3C)n2)cc1	920139632	WGYXYAUGGFVOIK-OAHLLOKOSA-N	421.503	5.334	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Cc3c(Cl)cccc3C2=O)cs1	921263864	KAZGOYLXSREMFI-XNTDXEJSSA-N	408.910	5.612	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(C)(C)C)nc4)CCC3)cc2)C1	1785803174	ACDHUDHLNHSNCR-UHFFFAOYSA-N	417.553	5.093	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccco3)CCC2)cc1	1789457956	IEBBRTIRPUGSJR-XXBNENTESA-N	420.553	5.361	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1	1814443812	ASNGAXADRUCWMM-IBGZPJMESA-N	400.567	5.141	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(C)cc1C	10168726	IAEPFZUJQGUHAD-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(F)cc2)cc1	10828680	LAFPYXKCBUXATB-UHFFFAOYSA-O	419.954	5.441	30	20	HKED	
C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc(C#N)c(Cl)c1	25216996	PPGNLXWUSRXTOL-APPDUMDISA-N	406.338	5.019	30	20	HKED	
CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(-c4ccccc4)s3)s2)cc1	28966319	TYZPLWJHAYACCX-UHFFFAOYSA-N	422.535	5.672	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(OC(F)F)cc1	36709555	BKEJWRZEPBOZHR-UHFFFAOYSA-N	410.445	5.241	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(C3CC3)n2Cc2ccco2)cc1	45773038	ZXHJYFUEBCGYPF-UHFFFAOYSA-N	412.518	5.628	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc(C(=O)N3CCCCC3)c2)n1	54914844	AKAPRPPKJYYWCP-UHFFFAOYSA-N	419.472	5.199	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1	59771043	ZFZNGCTXLHUELR-UHFFFAOYSA-N	424.422	6.307	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc2cc(Cl)ccc2s1	64682538	PKMHCFQYSWRGSY-LBPRGKRZSA-N	413.886	5.702	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2c[nH]c3ccccc23)cc1	71944532	KLSQIBYAVJKJFA-UHFFFAOYSA-N	424.504	5.177	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1	72020859	BBVOEKYQLPLEBQ-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccco1)c1ccccc1OC	426809161	TYHHMARVGNLZCP-FQEVSTJZSA-N	416.930	5.490	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C#N)cc2Cl)o1	430361462	ZIWLNYAJEDDQGZ-UHFFFAOYSA-N	402.841	5.218	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)N[C@H](CCCC#N)c1ccccc1	431896243	MXDQJTJUIDOGNX-HXUWFJFHSA-N	404.539	5.353	30	20	HKED	
CC(C)c1nn(C)cc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	432073093	BIOXKSTWWLNNKE-UHFFFAOYSA-N	423.904	5.292	30	20	HKED	
CCOC(=O)c1c(CN[C@H](CCCC#N)c2ccccc2)nc2ccccc2c1C	433018682	ITMZPZBLKTZUMZ-OAQYLSRUSA-N	401.510	5.245	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)c1ccccc1	433767423	TURWIXPXKGZUFF-UHFFFAOYSA-N	412.537	5.639	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	436369353	QFPJMAIDCIBWCY-SFTDATJTSA-N	421.953	5.304	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)cc1	438224051	JAKFRVNGVORNMO-DQEYMECFSA-N	422.488	5.654	30	20	HKED	
N#CCC[C@@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1ccccc1	439659131	RQXPUXQNAMAZSW-JOCHJYFZSA-N	408.505	5.119	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(CCC(F)(F)F)cc1	440277144	BDYONYCCWIVTPI-VQTJNVASSA-N	401.432	5.485	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)nc(C)n1	442643042	FRQGJZOOEGCQPN-AWEZNQCLSA-N	413.264	5.078	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	443880239	PYPBOQLTFNRMKP-UHFFFAOYSA-N	415.371	5.013	30	20	HKED	
Cc1cc(Cl)c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl	443947336	SZRSTLHRMWLRHA-UHFFFAOYSA-N	404.297	5.249	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	461650954	HVBPLJFHJPOVJI-UHFFFAOYSA-N	403.486	5.169	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1	461987816	XAEZIODSBPWOFV-UHFFFAOYSA-N	411.383	5.060	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3SCCc4ccccc43)cc2F)c1	463476126	OWWLGPDSOWNFBS-QHCPKHFHSA-N	418.493	5.245	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1C	464462624	ATEDZSJZEYAFNI-SNVBAGLBSA-N	403.223	5.031	30	20	HKED	
CN(C)CCCN(CCC#N)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	465162110	BARNDODWXXUCPZ-UHFFFAOYSA-N	420.340	5.093	30	20	HKED	
O=C(c1ccc(Cl)c(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F	468518515	PXOWDHMKLHNEIH-UHFFFAOYSA-N	401.656	5.316	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	472742739	AAMBBGXSWBLEKO-PZJWPPBQSA-N	422.598	5.067	30	20	HKED	
Cc1c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)sc2ccc(C#N)cc12	476929027	DPODEECCCJHRBL-GOSISDBHSA-N	401.491	5.590	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1	477665986	PWQQCHFYPRTKCT-UHFFFAOYSA-N	401.413	5.272	30	20	HKED	
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	477975592	GOWCBFFDJGXQPP-UHFFFAOYSA-N	408.461	5.496	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)csc1Br	478100503	IHVUBBIRFOFPDY-VIFPVBQESA-N	410.243	5.054	30	20	HKED	
Cn1c(SCc2ccc(C#N)c(F)c2)nc2scc(-c3cccs3)c2c1=O	478541778	WCMNVYFBPDXNDG-UHFFFAOYSA-N	413.524	5.027	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)o1	482482979	HZQNIVZTODHXKV-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1cnc2ccccc2n1	483192049	FZPIFOALHUBNGX-QGZVFWFLSA-N	406.470	5.397	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483198530	MVCQPZHEKPURKO-INIZCTEOSA-N	405.429	5.435	30	20	HKED	
CC(C)CCn1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	483279249	QMHTUQFKXYPUAF-UHFFFAOYSA-N	404.539	5.345	30	20	HKED	
O=C(CCOCC(F)(F)C(F)(F)F)Nc1c(F)cc(F)cc1-c1ccccc1	485581777	RXFSJSLAHFZJCO-UHFFFAOYSA-N	409.301	5.175	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@H](CCCC#N)c2ccccc2)c1	487187404	QWISBXHICNWFBC-OAQYLSRUSA-N	418.566	5.133	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1	493504695	SQBOQMZMUWJMNJ-HMXCVIKNSA-N	407.583	5.020	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4c(F)ccc(F)c4c3)n2)cc1	496027992	JOVFZEQLBYBEPH-INIZCTEOSA-N	405.429	5.435	30	20	HKED	
COc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc(OC)c1OC	502604916	VQOOZWFKZOZYBG-UHFFFAOYSA-N	419.437	5.020	30	20	HKED	
CN(CC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	503664615	XCXGCMQFIAJBJA-UHFFFAOYSA-N	414.293	5.386	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc(C)nc21	505949472	TZFZCNXZMGNFGX-KZULUSFZSA-N	416.312	5.012	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	509429974	JYQYNXWNGPIKIR-UHFFFAOYSA-N	423.472	5.137	30	20	HKED	
CC(=O)N(c1nc(CSc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C	509638140	IRYWVWGEINUDGG-UHFFFAOYSA-N	407.564	5.917	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1CCCN(C2CCC2)C1	512711321	GRLSNSANDGNRRV-ICSRJNTNSA-N	418.541	5.125	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1	513044454	RUDOEIRVDCDEBX-UHFFFAOYSA-N	423.022	5.171	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1	513605496	SYPIXDGKUWODAG-MRXNPFEDSA-N	424.422	5.657	30	20	HKED	
C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2cccs2)no1	515517964	MVGIGOQPPJKSFU-OAHLLOKOSA-N	402.479	5.422	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	516509207	JHSWMALNRYQLPQ-IBGZPJMESA-N	423.904	5.021	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	517531461	GWGFBNVEMYAGTJ-INIZCTEOSA-N	405.523	5.564	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2ccccc12	517800866	MLCADHACOKSNIG-KRWDZBQOSA-N	413.458	5.064	30	20	HKED	
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	517875299	YVGWFMMFDKLPLZ-IBGZPJMESA-N	421.840	5.165	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1c(C)noc1Cl	518947718	ZIODKYKUKBHNCN-UHFFFAOYSA-N	411.864	5.122	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1	519424720	BLCLHYQEPYAGMF-LLVKDONJSA-N	404.322	5.979	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccco1	520599942	RYJLHJZUGORGDM-QFIPXVFZSA-N	418.497	5.148	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(COc4ccccc4F)cc3)no2)cc1	520654539	MBABWQMIBRHJEA-NRFANRHFSA-N	424.435	5.176	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	520705401	YONOAHPDMWIESR-UHFFFAOYSA-N	412.367	5.652	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(-n2cccn2)cc1	520818840	GBGWZZGSKRIUCW-KRWDZBQOSA-N	422.579	5.138	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c1	521608224	XJLZLOBNWSMDJV-HSZRJFAPSA-N	420.509	5.980	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccco3)Cc3ccco3)c2)c1	522320444	VYRLJQDOECTANZ-UHFFFAOYSA-N	412.445	5.166	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OCC3CC3)c2)c1	524871204	NJHGUNZKRMYIFW-UHFFFAOYSA-N	416.452	5.317	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1	532492887	ULTODKPBEPRATB-OAHLLOKOSA-N	421.488	5.170	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)CC1CCCCC1	533298222	SITKLJULJRTIIN-UHFFFAOYSA-N	418.006	6.049	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C)Sc2ccccc21	533334962	XYAYIJQTFINQFJ-IRXDYDNUSA-N	411.596	5.410	30	20	HKED	
C=C[C@@H](CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C)c1ccccc1	536269957	UUGSQHLKPZUXIA-KRWDZBQOSA-N	409.917	5.487	30	20	HKED	
COc1cccc([C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2cc(F)ccc2OC)c1	537407340	OQUJOEDBUKZRPG-IZHWHUGBSA-N	408.448	5.294	30	20	HKED	
C[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543016562	FSKKXCYIWZVOAU-HNNXBMFYSA-N	401.432	5.270	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	546004053	HEYTWKQCAYQOOB-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(Br)c1Cl	549086953	RYQJATHTWQKWAD-RHSMWYFYSA-N	418.722	5.406	30	20	HKED	
CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2c(C)[nH]c3ccccc23)CC1	549426258	CTQFLSIMKAFLEF-UHFFFAOYSA-N	410.525	5.010	30	20	HKED	
Cc1cc(F)ccc1C1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1	552625045	LTQZAUZXDJFKMS-UHFFFAOYSA-N	418.468	5.198	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCC(=O)C[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	561572857	JBIUKZWALBEVAR-SWLSCSKDSA-N	423.365	5.641	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H]2c3ccccc3CC23CCOCC3)c1	562080826	XZTALHOJBWJYLG-MHZLTWQESA-N	424.544	5.321	30	20	HKED	
CC(C)OCc1ccccc1-c1noc(-c2cn(CCCC#N)c3ccccc23)n1	570434515	YCSCATYZJYZZMR-UHFFFAOYSA-N	400.482	5.587	30	20	HKED	
CCc1c(NC(=O)c2cc(C#N)ccc2Cl)cnn1-c1ccc(C(F)(F)F)cc1	577521303	XGIDSESENDJLSJ-UHFFFAOYSA-N	418.806	5.231	30	20	HKED	
CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	580501563	KDGCAHYRSVHVQR-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
N#Cc1cc(NCc2cccc(F)c2OCC(F)(F)F)ccc1Br	600852507	SSUIZDQCAWEXBS-UHFFFAOYSA-N	403.173	5.013	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2cccs2)cc1	603802051	ZKJDPQQLBSWZKH-QHCPKHFHSA-N	403.551	5.674	30	20	HKED	
COc1cccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	603962174	IWRWSFXUMWORRL-OAQYLSRUSA-N	406.869	5.022	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CSc2ccc3c4c(cccc24)CC3)c1	609067948	BCDGNKDUDPOFHG-UHFFFAOYSA-N	410.445	5.142	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1	609498757	GESLCHLUYZWGSI-UHFFFAOYSA-N	410.477	5.061	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	609694994	RDMCRQMIQORHDG-PMACEKPBSA-N	420.434	5.621	30	20	HKED	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	609822558	IJBZPHUFNBLSKE-NFBKMPQASA-N	422.594	5.422	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1	609876081	RUCANJLTJZUUNM-UHFFFAOYSA-N	414.852	5.646	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	609959698	PJHVDTUKSULHCN-HNNXBMFYSA-N	418.261	5.515	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c2)cc1	609990785	WXWGZNQYTWEQPB-UHFFFAOYSA-N	424.504	5.180	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)NCc3ccc(-c4ccncc4)cc3)c2)cc1	610052653	MCQXFJDOMQRDNZ-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
COc1cccc(Oc2ncccc2CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1	610163419	XBPRCBRMIDKKNS-UHFFFAOYSA-N	416.481	5.005	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(COCc2ccccc2)cc1	610184851	LCJDXLJHBSXRPX-VWLOTQADSA-N	414.505	5.317	30	20	HKED	
Cc1cc(F)cc2c(N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(C#N)cnc12	610275742	UTLNRGZAMAKMTJ-RYUDHWBXSA-N	405.317	5.121	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nnc1-c1ccc(C(C)(C)C)cc1	613933438	QDKVPTGJTDOTET-CQSZACIVSA-N	409.559	5.542	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21	618810644	AXWOHSFXWKEHEE-XOBRGWDASA-N	420.513	5.177	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)c2c(Cl)cccc2Cl)cc1	624889772	BXVLAAQBNWJCBW-OAHLLOKOSA-N	417.336	5.550	30	20	HKED	
C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(F)(F)CC1	670235257	QHLYOYNKAOHHEF-UHFFFAOYSA-N	404.505	5.101	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC(F)(F)C1	671209168	PMCRJBUADPMXJS-GFCCVEGCSA-N	404.301	5.053	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(NC(=O)c3cccs3)c2)cc1Cl	726461699	DHPIWZABOIXYOG-UHFFFAOYSA-N	412.927	5.334	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1csc(C(=O)O)c1	730149059	AUZMMAIADGKQKB-AATRIKPKSA-N	409.410	5.485	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)ccc1OC	733656119	ICIODMYPJKADAZ-OAQYLSRUSA-N	423.557	5.015	30	20	HKED	
C=CC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccncc1	734461213	XILMSPSQQMIVJC-INIZCTEOSA-N	404.322	5.559	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)OCc3ccc(F)cc3C#N)ccc21	734622568	OBXCHLUJQFRLQW-UHFFFAOYSA-N	405.351	5.004	30	20	HKED	
CN(Cc1ccc(Cl)nc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	735115190	WVLVQTJZJJLKMT-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
CC(C)c1noc([C@@H](C)OC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	735163818	PGEJJYHRXLYBAT-CYBMUJFWSA-N	411.845	5.428	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CSc3cccc4cccc(Cl)c34)[nH]c12	735793625	WOMGMDDXBRVDJB-HNNXBMFYSA-N	405.910	5.647	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1Cl	738749220	IUAVZRJRJVOAOI-OAHLLOKOSA-N	419.868	5.139	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4ccc(Cl)cc34)n2)cc1	740542791	XCYKQMXPUVKPBG-GOSISDBHSA-N	416.893	5.235	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3cc(C#N)ccc3C2=O)cs1	742436400	BIGZUAIIULNWLP-UNOMPAQXSA-N	413.502	5.220	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2ccccc2C(F)(F)F)cc1	744033030	LNZSIYVXHSHDTB-DOXZYTNZSA-N	416.443	5.670	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3coc4cc(F)ccc34)n2)cc1	749030212	WLNHXEVBJHOQRV-SFHVURJKSA-N	406.438	5.123	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1C#N	752766411	XWLCMDPILJCMBX-UHFFFAOYSA-N	409.298	5.242	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Cl)nc2)cc(Br)c1OC(F)F	759082586	IILMMVPEWLLXQP-DUXPYHPUSA-N	418.621	5.004	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1	775723831	WIUQHVAXDPSJTA-AWEZNQCLSA-N	418.478	5.169	30	20	HKED	
CC(=O)N1C/C(=C\c2csc(-c3ccc(Cl)cc3)n2)C(=O)c2ccccc2C1	778520010	NFBJQWXLRMSFFE-LICLKQGHSA-N	408.910	5.092	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1	780667551	IWJQDMDCMPIVET-HNNXBMFYSA-N	417.431	5.408	30	20	HKED	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	783068978	BMYQAWAAHBTJLE-DYVFJYSZSA-N	416.424	5.473	30	20	HKED	
COC[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2	784956827	SZLQPBSHZLVSEE-QIPRVMPFSA-N	418.880	5.070	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)ccc1OC	788588659	NFMDLKRLYMIZPW-BSWAZPDLSA-N	404.963	5.373	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C\C(=O)c1cc(Cl)c(N)c(Cl)c1	794699351	BNXOIKLNQXZEPX-WAYWQWQTSA-N	407.688	5.014	30	20	HKED	
CCc1ccc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1	796798021	KXEQQXCDGVUGSO-HXUWFJFHSA-N	424.456	5.749	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	799206623	KDFXXOXTFGKXGR-HSZRJFAPSA-N	421.504	5.695	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(C3SCCS3)cc2)ccc1OC(F)(F)F	799439711	PYMGUDDFVRBAAW-UHFFFAOYSA-N	410.442	5.188	30	20	HKED	
C=CCCc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1	800627908	RFPDPEIAEKRLHB-IBGZPJMESA-N	413.521	5.120	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](N[C@H](CCCC#N)c2ccccc2)c2ccccc21	815635742	ITRMDVKKUNDAEV-XPWALMASSA-N	405.542	5.722	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1	915087721	WVIDZBBASLCAKI-NRFANRHFSA-N	421.294	5.122	30	20	HKED	
N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc2ccccc2n1C(F)F	915104881	WCLKWXDYLYHLAG-CQSZACIVSA-N	424.382	5.035	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1	915359367	QRUMIIPFDGXAFH-LOSJGSFVSA-N	410.521	5.886	30	20	HKED	
O=C(/C=C/c1ccsc1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	916845230	RTZSFXKSDDFYJN-MDZDMXLPSA-N	418.568	6.382	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	916932150	QYLZGGFXMFTTAW-SCVCMEIPSA-N	407.219	5.009	30	20	HKED	
Cc1ccc(OCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1	916976587	SQOLKNWCZKOQIM-GOSISDBHSA-N	410.926	5.726	30	20	HKED	
N#C[C@@H](C(=O)COc1ccccc1-c1ccccc1)c1nc2cc(Cl)ccc2s1	917043017	FUKMBRPBEJEFFS-SFHVURJKSA-N	418.905	5.872	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc2cc(Cl)ccc2s1	917047043	POKAQKFBVBEFBZ-KRWDZBQOSA-N	416.889	6.268	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	918491518	BINASTBXRCFEOE-QRWLVFNGSA-N	409.898	5.101	30	20	HKED	
Cc1nc2ccccc2c2c(NC(=O)c3ccccc3OCC#N)c3ccccc3n12	919981054	WARUKCYWABSMTO-UHFFFAOYSA-N	406.445	5.104	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1	1786679019	UIDVKUWIOVCGNB-UHFFFAOYSA-N	420.534	5.100	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1	1789455657	ZBWVQYSVYWMGKW-JOCHJYFZSA-N	406.570	5.469	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC(C)(C)C)CCC3)cc2)c1	1792122325	JVXVZBRTIFOHMJ-SFHVURJKSA-N	417.553	5.498	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1	1830059362	FCRNEERNXKFKFK-HYBUGGRVSA-N	410.602	5.256	30	20	HKED	
COc1ccc(NC(=O)[C@@H](Nc2ccc(CC#N)cc2)c2ccccc2)cc1Cl	15499157	IIOCWZGWOYIAQM-QFIPXVFZSA-N	405.885	5.207	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1	48164117	PEONEODPOFTMEJ-LJQANCHMSA-N	407.473	5.386	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	54507124	YKIJXMSMRBOBQP-UHFFFAOYSA-N	418.884	5.128	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1	57816293	OAPPKWKKYIJNKE-XMMPIXPASA-N	420.534	5.036	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3cc(C#N)ccc3C)c2)c1	58452006	QHSSQMLWRZOCPL-UHFFFAOYSA-N	413.481	5.141	30	20	HKED	
C=CCn1c(S[C@H](C)CCc2ccccc2)nnc1[C@@H]1COc2ccccc2O1	59739588	WORBSZASIJQGTH-UTKZUKDTSA-N	407.539	5.090	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccc(F)cc1F	63641481	XLQSYYMXNGJTNL-HNNXBMFYSA-N	407.420	5.376	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	64714165	ITBXTLWOVCIUFC-SNVBAGLBSA-N	409.244	5.885	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1	71965246	NSWGCSKLJFHPFA-UHFFFAOYSA-N	414.465	5.287	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccc(C)cc2C)o1)[C@@H](C)c1ccc(C#N)cc1	108878585	JYTMQGWBNSQZKD-IBGZPJMESA-N	402.494	5.570	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(F)cc2)CCOCC1	261406563	PKIVXQMUDCOGML-MRXNPFEDSA-N	413.518	5.047	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H](Cc2ccccc2)C2CC2)cc1	303896859	SIMKVYBYBOVNTI-XMMPIXPASA-N	412.558	5.602	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(Cl)c1	431588843	HVWWQRVLAFCZPZ-QGZVFWFLSA-N	407.260	5.168	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)c1ccc(Br)cc1	432678278	LUIGXANVNFWVOP-CABCVRRESA-N	417.372	5.976	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)c1	433718429	KHRVHXJCBIHYNM-UHFFFAOYSA-N	413.811	5.491	30	20	HKED	
CCN(C(=O)c1cc(C#N)cs1)[C@@H](c1cccnc1)c1csc2ccccc12	437568982	PKIKZNSXWFIIHF-NRFANRHFSA-N	403.532	5.481	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cc(C#N)cs2)ccc1Cl	437670682	DJZKPOUBVVDQHN-UHFFFAOYSA-N	423.925	5.188	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	438157227	ILXCTPYCIOOYOB-RBBKRZOGSA-N	418.541	5.283	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1Cl	440782286	JTVMGSXPMDKMTI-GMAHTHKFSA-N	402.881	5.248	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc(-c2ccco2)nc1O)c1ccc(C(F)(F)F)cc1	441550952	LNKWXSUSYDZZAK-KRWDZBQOSA-N	416.399	5.503	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1	442081994	SIPPGKMIRISTNY-OAHLLOKOSA-N	419.481	5.128	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc(-c2ccccc2)cs1	442670568	JDUPBHALWDFYPY-OAQYLSRUSA-N	411.486	5.274	30	20	HKED	
CCOc1cc(Cl)ccc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	443936990	GPQAWCGYLOXRLT-AWEZNQCLSA-N	403.935	5.455	30	20	HKED	
C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cn(CCCC#N)c2ccccc12	444227984	SJIMHQDPECVBHW-UZUQRXQVSA-N	421.928	5.201	30	20	HKED	
CC[C@@H](Nc1cccc(NC(=O)COc2ccccc2OC)c1)c1ccc(C#N)cc1	447572736	DKQBCPOWLWCTCT-JOCHJYFZSA-N	415.493	5.148	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)on2)c1	448195642	DTIPVXKVLIRTAN-UHFFFAOYSA-N	402.479	5.058	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc2ccccc2n1C	461293748	ZKEYXKHHQMKMNX-UHFFFAOYSA-N	416.868	5.167	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2Cc2cccs2)cc1	461502961	NXSNUFOUWPRDOO-QFIPXVFZSA-N	411.534	5.268	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1	463525095	UHRAMJYRDTYACA-UHFFFAOYSA-N	411.461	5.135	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C(F)(F)F)c1	463614236	NHFOIBKHOJUDOD-KBPBESRZSA-N	406.473	6.210	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)c1ccc(Br)s1	463744547	JNXIAXRYUWLJNS-NEPJUHHUSA-N	409.374	5.505	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)c1	464204699	ALCZHMQMCAINBK-AREMUKBSSA-N	410.517	5.434	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1C	465463203	RMSDXBXPNDPUTR-UXHICEINSA-N	400.526	5.003	30	20	HKED	
CC(C)(C)Oc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1	465901545	UOZVALKINAGBLG-UHFFFAOYSA-N	407.514	5.247	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2cnc([C@@H](C)OCC)s2)C(C)(C)C)cc1	467904515	SRAXTHZQECUSCO-MRXNPFEDSA-N	402.560	5.246	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)cc1F	471637567	XLOYFKYJQKHDBO-UHFFFAOYSA-N	420.831	5.805	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cc1	472684314	GFNZWGUZUWGCOL-WZONZLPQSA-N	421.516	5.255	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1sc(C)cc1Br	473761157	LDGZMQQXRSQHLX-UHFFFAOYSA-N	414.390	5.472	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NCC(=O)Nc1ccccc1SCC#N	475157595	UOAXZWCGZXATJO-UHFFFAOYSA-N	417.534	5.240	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F	476091241	OTKAHFSWCRLLQE-OAQYLSRUSA-N	400.469	5.023	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1	476652493	BMHUUWBGXLZSGL-KBXCAEBGSA-N	412.358	5.095	30	20	HKED	
N#C[C@H](NC(=O)CSc1nccc2ccccc12)c1cccc(Cl)c1Cl	481801644	AJHCSMJLHVLREB-INIZCTEOSA-N	402.306	5.015	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	482379418	SAZHEBAENKZXHC-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482399392	MRDLBXZPBQBBTP-MRXNPFEDSA-N	415.337	5.022	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)sc1-c1cccc(Cl)c1	483189235	BNOOTPSOKVGCCP-MRXNPFEDSA-N	403.894	5.810	30	20	HKED	
Cn1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2cc(F)ccc21	483522702	IBPWNHBKNPKHKI-ZDUSSCGKSA-N	411.408	5.209	30	20	HKED	
CC(=O)N(C)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	485762304	HZXZXTHILCYZET-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCn3cnc4ccccc43)cc2Cl)cc1	491048402	IFXOUAYEXRWPGA-UHFFFAOYSA-N	416.868	5.382	30	20	HKED	
CCCc1c(NC(=O)N(C)C/C(C)=C/c2ccccc2)cnn1-c1cccc(C#N)c1	494938272	OCHNZYUWIGUBLE-XMHGGMMESA-N	413.525	5.264	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1cc(C(F)(F)F)ccn1	499455600	OIYIYTOZCDTDSD-CQSZACIVSA-N	424.300	5.869	30	20	HKED	
CC(C)Oc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	502646927	BGNRFFIIZVAXCL-UHFFFAOYSA-N	414.465	5.242	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	505716150	DJXSSLSVDPBITB-NRFANRHFSA-N	420.497	5.542	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	507169537	WHUWSKMPVTXFIM-UHFFFAOYSA-N	407.473	5.837	30	20	HKED	
CCc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c2c(C(C)C)noc2n1	509303560	OYOAIYUUYYDZAD-UHFFFAOYSA-N	420.557	5.233	30	20	HKED	
CCN(C(=O)CCCOc1ccccc1Br)[C@H](C)c1ccc(C#N)cc1	509581111	XYEZVXIVJJWJGV-MRXNPFEDSA-N	415.331	5.089	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1ccc(Br)cc1	509607149	FXDFHVNARUQJIN-ZDUSSCGKSA-N	419.344	5.227	30	20	HKED	
CC[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(Cl)s1	512575988	CVRDQTSKSDENRU-OFLPRAFFSA-N	417.962	5.414	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(CC#N)cc2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	514343542	KHRVPFMSXUEGIV-XBZUYWNMSA-N	422.598	5.294	30	20	HKED	
CC(=O)c1c(C)cc(C)c(CSCC(=O)Nc2cc(Cl)ccc2C#N)c1C	514644158	POHWOYATHVRIJG-UHFFFAOYSA-N	400.931	5.211	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)oc2c1ccc1ccccc12	515542188	HRHLAKKTJNNYTJ-QGZVFWFLSA-N	415.399	6.129	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)s1	515707596	WIAVUTHXBJTZNR-UHFFFAOYSA-N	422.506	5.031	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1OCC(C)C	516962830	CFOXUGLUVAEQPE-UHFFFAOYSA-N	417.465	5.041	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H]3c3c(F)cccc3F)cc2)cc1	523824860	NZFURYCCVOBAOT-KNQAVFIVSA-N	404.416	5.109	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1cccc(Cl)c1	533241673	YVWDCNMTMJYMDG-HZPDHXFCSA-N	401.963	5.366	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)NCc1nnc(-c2cccc(C#N)c2)o1	542521408	MBCXUWWDHOBRNR-FQEVSTJZSA-N	400.507	5.052	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1Cc2ccccc2OC[C@@H]1C	542925050	OHJJMOUXLZCXGR-SFHVURJKSA-N	413.477	5.474	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N3CCC(CC#N)CC3)cc2Cl)cc1	543829535	CGOHQRIHAUUOEO-UHFFFAOYSA-N	415.946	5.657	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3cc(C)cc(C)c3)no2)nnc1-c1ccco1	546394680	GQNYYSKWYQXDBI-UHFFFAOYSA-N	407.499	5.073	30	20	HKED	
Cn1cc(CNCc2cnc(-c3ccc(Cl)cc3)s2)c(-c2ccc(C#N)cc2)n1	551226212	IUXYLWYGZOSJFR-UHFFFAOYSA-N	419.941	5.025	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)ccc1F	551561901	XJMSYIYURFHXPI-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(CN4CCCC4)c3)n2)cc1	554319414	AOCWXEZDNVVGAJ-OAQYLSRUSA-N	401.535	5.204	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@](C)(C#N)C4CCCCC4)cc3)o2)cc1	563974803	PGGYTUFUFHSCNS-RUZDIDTESA-N	414.509	5.304	30	20	HKED	
N#Cc1cc(Cl)ccc1CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	565883858	QNBUGSJVSHLZIN-FQEVSTJZSA-N	408.851	5.488	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCc3sc(Cl)cc32)cc1	570436074	AGASZMGFNXTEPT-KRWDZBQOSA-N	415.946	5.025	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	575911706	RSUJGMDIQKYCNJ-AZUAARDMSA-N	412.493	5.546	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccc(Cl)cc1	576502376	IHOHWFHCLFPDTO-SJORKVTESA-N	415.990	5.236	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	603660353	QFLVVGKSYRRPPA-CYBMUJFWSA-N	417.387	5.470	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	603681773	FPHIHSHUUCAYOJ-INIZCTEOSA-N	420.538	5.275	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cc3cccc(F)c3)cn2)c1	603829199	NAQVGVVJZPCWBL-NRFANRHFSA-N	416.456	5.124	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(Br)c2)sc2c1-c1ccccc1CC2	603990930	FWHMYLLOSNVPHJ-UHFFFAOYSA-N	409.308	5.400	30	20	HKED	
C=CCn1c(SCC(=O)N2CCCCC[C@@H]2CC)nnc1-c1ccc(Cl)cc1	606804501	SEJBMWHRFGJEQX-SFHVURJKSA-N	418.994	5.058	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)o2)cc1	609054946	LROFJXBHNXAXND-UHFFFAOYSA-N	412.445	5.166	30	20	HKED	
CCOc1ccc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C(C)C)cc1	609056118	AMJSZGKVOGZIRM-UHFFFAOYSA-N	418.493	5.180	30	20	HKED	
CCOCc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	609209050	UQYYKYSZWAXYPC-UHFFFAOYSA-N	401.466	5.209	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	609437101	PJBDTQBGISGMAV-IVZQSRNASA-N	423.538	5.125	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccc(Cl)cc1	609589586	LEKVTEPWFSAYRG-CQSZACIVSA-N	423.097	5.232	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccccc2SCC(F)(F)F)c1	609600721	IJPYWYRRWBENAK-UHFFFAOYSA-N	409.433	5.668	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1	609712771	NELKUOAJTXVPPO-SJLPKXTDSA-N	412.534	5.010	30	20	HKED	
CO[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1	609729496	GGBQJJABYKADBJ-JOCHJYFZSA-N	406.869	5.121	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Nc2ccccc2)c1)c1ccccc1Br	609821695	RRVYCXOZUNFXMW-HXUWFJFHSA-N	406.283	5.187	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ncc(-c2ccccc2)o1	610094758	YNWAAFVGLDCAHN-KRWDZBQOSA-N	424.460	5.888	30	20	HKED	
COc1cccc([C@H](NC(=O)CSc2ccc(C#N)cc2)c2ccccc2Cl)c1	610180974	MPVVUGJKLNLXNY-QHCPKHFHSA-N	422.937	5.218	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	610577660	PVTPNTHTOFEWKZ-UHFFFAOYSA-N	405.376	5.021	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(CCC(F)(F)F)cc3)n2)cc1	611071301	USZCCBHOVLLDNM-UHFFFAOYSA-N	401.413	5.429	30	20	HKED	
N#Cc1c(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)sc2c1CCC2	611184137	XWUNWRMZDJSJJJ-UHFFFAOYSA-N	401.463	5.422	30	20	HKED	
Cc1nnc(N(CCC(C)C)C(=O)c2cc3ccccc3n2CC#N)c2ccccc12	611324496	HRGOLFJSUVPQOJ-UHFFFAOYSA-N	411.509	5.109	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1	611502309	KRZDEBVBXMBGFA-LJQANCHMSA-N	423.472	5.512	30	20	HKED	
C[C@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1F	612574834	KDYPZNJWCOVRPA-APPDUMDISA-N	415.228	5.804	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	622566828	YYVAGJJQQMNBKB-QLJPJBMISA-N	407.329	5.285	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)NCCC)c(Cl)c2)cc1OC	630069464	YVNKHYLEZVWODG-UHFFFAOYSA-N	423.340	5.319	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC[C@@H]4CCCO4)c3)n2)cc1	642281059	FZAQFPJGIGVEMR-LEWJYISDSA-N	418.518	5.166	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1nc2cc(F)ccc2s1	671764194	MZYHPFONONLANT-FQEVSTJZSA-N	423.472	6.141	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C(F)F	726322968	TUUOLACYRHDPOM-GFCCVEGCSA-N	408.235	5.547	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl	726899936	ZFTRZFQAMVMVJD-IBGZPJMESA-N	407.926	5.813	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)c1	729946868	HNIYDRAGUKWFPU-OAQYLSRUSA-N	410.445	5.339	30	20	HKED	
C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)c1cc(F)ccc1F	730304084	KBWWVSGHVDVRBL-AWEZNQCLSA-N	407.372	5.057	30	20	HKED	
COc1cccc2cc(C(=O)/C=C\c3ccc(OCc4occc4C(=O)O)cc3)oc12	730950977	IAKVZWREYCUASN-YFHOEESVSA-N	418.401	5.208	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)/C=C\c1ccccc1OC(F)(F)F	731025833	OMANBSFMFAXUKR-IWMPZKFUSA-N	406.429	5.489	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1	731192786	NXKXPKKIRBAXNY-MDWZMJQESA-N	405.885	5.247	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(N2CCCC2=O)cc1	731399948	JNXWNKUUMVEKJJ-SJORKVTESA-N	422.554	5.090	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)cc2)c1	733033908	RASYJXMHDWUBDA-QHCPKHFHSA-N	419.431	5.998	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(C3SCCCS3)cc2)c1	733774217	LKRGJWHTXAIGNQ-IBGZPJMESA-N	412.580	5.166	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cs1)C1CC1	734306704	QJKPGGUDRRWJHC-NTEUORMPSA-N	404.491	5.347	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C)c1ccncc1	734669628	SAABWECGGRHQQG-XLIONFOSSA-N	406.555	5.500	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2cccc(COc3cccc(C#N)c3)c2)cs1	736829337	QFHSVJVONQLWDX-MRXNPFEDSA-N	422.506	5.048	30	20	HKED	
CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	738749492	MPISWYCYIZQNGM-QGZVFWFLSA-N	413.477	5.048	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(CC)[C@@H](CC)c2ccncc2)c1=S	739888197	QJJHEZWVYCAWIO-FQEVSTJZSA-N	423.586	5.101	30	20	HKED	
Cc1nn(C)c(Cl)c1/C=C\C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743056285	UOGCDPZGMWGSFZ-ALCCZGGFSA-N	409.704	5.079	30	20	HKED	
Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1	743093467	VLIHLEZKPWPTLL-AOYPEHQESA-N	424.548	5.441	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)c3c4ccccc4cc4ccccc34)o2)cc1	744489844	LQXFEBUSCLOBDU-UHFFFAOYSA-N	405.413	5.272	30	20	HKED	
FC(F)(F)c1cccc(Oc2cccc(C=Nn3cnnc3-c3ccccc3)c2)c1	745988942	MVBYCYLYPAHXJF-UHFFFAOYSA-N	408.383	5.638	30	20	HKED	
CC(C)c1ccc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc1[N+](=O)[O-]	747127837	NCXPXGIXFROXCR-FYJGNVAPSA-N	415.449	5.018	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)CSc3cccc4cccc(Cl)c34)nc12	750723350	HZNABFPOLONXFR-CQSZACIVSA-N	406.898	5.042	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3cnc(-c4ccncc4)s3)s2)cc1	753145171	WKHITZSZTXFPBA-FPLPWBNLSA-N	403.532	5.842	30	20	HKED	
C[C@@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccccc1C#N	753855570	YKBYNASQSWMJLY-SNVBAGLBSA-N	407.442	5.306	30	20	HKED	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	755479225	SCLMLEOERSSWFA-RUZDIDTESA-N	414.505	5.049	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1	757884017	WMMWMXRMRODPQL-RUZDIDTESA-N	409.489	5.332	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N	758121859	KGVBSKKHZLBLIE-CQSZACIVSA-N	418.415	5.193	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	758693287	CGGILCCDGQCDMV-VAWYXSNFSA-N	421.422	5.214	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	759213163	HYEYCAXRVLSGCM-AUUYWEPGSA-N	410.926	5.527	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(Sc4ccccc4)c3)CCO2)c1	761845596	LTZFGABCNYMIEV-QHCPKHFHSA-N	415.518	5.315	30	20	HKED	
N#Cc1cc(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)ccc1C(F)(F)F	764912660	AVGVFBZPGURENW-UHFFFAOYSA-N	414.349	5.084	30	20	HKED	
Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2Cl)c1	768995319	JKCOKAZJRVFLCF-HSZRJFAPSA-N	419.912	5.288	30	20	HKED	
COc1cccc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1F	771269362	GBBIGECXSRKNDG-CQSZACIVSA-N	410.289	5.278	30	20	HKED	
C=CCN1C(=O)N(c2ccc(C(C)(C)C(F)(F)F)cc2)C(=O)[C@@H]1Cc1ccccc1	772128607	WHODFJYAPLPMTF-IBGZPJMESA-N	416.443	5.092	30	20	HKED	
N#CCCCOc1cccc(NCc2nc3ccc(Br)cc3s2)c1	774915362	OBQYKJHONKBDGQ-UHFFFAOYSA-N	402.317	5.353	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](CC)c1cc(F)cc(Br)c1)c1ccncc1	777243631	RVSLTAJYQFYZHY-ZWKOTPCHSA-N	406.299	5.051	30	20	HKED	
Cc1ncsc1/C=C\C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	777296182	IYNJHQVEQHOMJJ-RRONXCDISA-N	409.580	5.266	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)Nc2cc(C(=O)N3CCCC3)ccc2OC)cc1	777657442	DQQJASVIGRWAHT-KRWDZBQOSA-N	414.933	5.236	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2oc(-c3ccccc3)nc2C)cc1	779195590	YIEUTGSAJMQGAT-FOIQADDNSA-N	401.466	5.125	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cnc([C@@H]4CCCO4)s3)cc2F)c1	779595216	FODJTJGUVKYSBU-NRFANRHFSA-N	409.486	5.196	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCCC1	780149712	QYLRJEHFAYFPRH-HNNXBMFYSA-N	413.315	5.190	30	20	HKED	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC5(C#N)CCOCC5)(C4)C2)C3)cc1C	780543432	OHUCQXGVLRURFM-QJMPUOCTSA-N	407.554	5.005	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1	787054375	UTNQRSYSTSSVMW-SJCJKPOMSA-N	421.349	5.224	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2cc(Br)ccc2F)c(-c2ccccc2)n1	788357326	YCMCBKDZMMJWLP-JXMROGBWSA-N	424.273	5.261	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)ccc1OC	788588681	NFMDLKRLYMIZPW-QSPRXWTASA-N	404.963	5.373	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl	789451008	SDZXDEXELSXRGS-SFHVURJKSA-N	407.341	5.700	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@@H](C)C(C)(C)C)cs1	793117092	WPSCPSQIHRTYFS-LBPRGKRZSA-N	412.481	5.205	30	20	HKED	
Cc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C#N	799548746	BTDPXUJACLMPNG-NSHDSACASA-N	402.237	5.142	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C#N	799604456	ZFDWECIWRYSYAC-MRXNPFEDSA-N	412.301	5.787	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1	801665175	HUKCKROLQNCUKC-LJQANCHMSA-N	420.406	5.169	30	20	HKED	
Cc1nc(C(F)(F)F)c(COC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)s1	801898035	MEHCDXHSNFXYTK-NSHDSACASA-N	401.303	5.243	30	20	HKED	
O=C(O)c1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1	806558516	FKEVBMKPRDDZPX-QXMHVHEDSA-N	405.837	5.187	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3SC(F)(F)F)cc2)ccn1	813279507	YLJWFOLJJWCTAO-UHFFFAOYSA-N	415.396	5.610	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2cc(Cl)cc3cccnc23)cc1OC	914786182	VSZDZYHXIOYIAY-UHFFFAOYSA-N	405.281	5.500	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)ccc2N1	915993506	RQEGKWUALGEEMA-YWEYNIOJSA-N	422.824	5.289	30	20	HKED	
CCCCCNC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1	916877048	AHROXLBKPHXWKZ-QXLXQBSBSA-N	400.931	5.097	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)c1	917042028	AFRRFDVKEUMXTH-QGZVFWFLSA-N	423.463	5.586	30	20	HKED	
COc1cc([C@H](C)NC(=O)/C=C\c2ccccc2C#N)ccc1OCc1ccccc1	917764278	VMOGKRINHOFKEM-ZDRDQBANSA-N	412.489	5.036	30	20	HKED	
Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(OCc4nccn4C)cc3)cs2)cc1	918712976	FKEIAIYLPZMGSX-XFXZXTDPSA-N	415.518	5.327	30	20	HKED	
COc1ccc(OC)c(C=NOCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	920256951	ISCCWZTVXIBXGI-UHFFFAOYSA-N	422.428	5.397	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2csc(-c3cccs3)n2)cc1OC	920399115	JUUKYNVXZAJBDQ-UHFFFAOYSA-N	408.932	5.483	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)C(C)(C)CC(=C)C)CCC2)cc1	1786677944	ASGLEPXSWTYWLI-UHFFFAOYSA-N	400.588	5.032	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCSC3)cc2)CCC1	1792283502	QJCBZLXCOLWYIY-LJQANCHMSA-N	412.599	5.032	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)C(C)C	1793207141	PFPMRKBBGFMARR-BJESRGMDSA-N	410.602	5.057	30	20	HKED	
C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccccc1C#N	8760714	PCCDTUBVXIHPGM-OAHLLOKOSA-N	423.501	5.027	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3ccccc3F)n2)cc1	64300108	UWINKRSUXLJBPD-UHFFFAOYSA-N	419.403	5.026	30	20	HKED	
C=CCN(C(=O)c1ccc(COc2ccccc2OC)o1)c1nc2c(s1)CCCC2	107764917	IPMPVAXLIMVECS-UHFFFAOYSA-N	424.522	5.035	30	20	HKED	
CC(=O)Nc1cc(NCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)ccc1F	236774257	HHZVVHUXYQVCJF-INIZCTEOSA-N	424.316	5.268	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)c1	303373078	TVXZFDTVCLVOEX-UHFFFAOYSA-N	401.447	5.223	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	430323327	RBVVJTJDWRQXNI-QMHKHESXSA-N	416.550	5.598	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@H]1c1ccncc1	432766702	DZWXNPNNBWISCY-HSZRJFAPSA-N	412.493	5.669	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1Cl	433744207	HHUVCRLESVSQGR-ZDUSSCGKSA-N	408.807	5.418	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	435734043	XQENHBXGPVJZLU-KRWDZBQOSA-N	410.823	5.121	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	436369351	QFPJMAIDCIBWCY-NHCUHLMSSA-N	421.953	5.304	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1	437846833	YOQRKGMUYPGVMN-ZEQRLZLVSA-N	422.488	5.654	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)o1	438502235	OCKCUBUAJBIGFH-FGZHOGPDSA-N	414.509	5.769	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1	438505237	BCEGEBLFWAZXSK-IABYTQIASA-N	423.582	5.037	30	20	HKED	
C[C@H](S[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	443133833	NQUHWTODQWBQRE-NEPJUHHUSA-N	412.864	6.052	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CN(CCC#N)CCC(C)C)nc(O)c23)cc1	444222768	GLSRJFBNBVPPOL-UHFFFAOYSA-N	408.571	5.443	30	20	HKED	
CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccccc3)c(C#N)c2)C1=O	445936949	IPGNZUJRZVFOBH-JOCHJYFZSA-N	411.461	5.270	30	20	HKED	
Cc1nc2ccccc2n1CCc1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1	460826329	HCRZJWUTTYBSPH-QXMHVHEDSA-N	422.492	5.009	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1	463266095	MEJORAPRNNSUAG-FQEVSTJZSA-N	418.516	5.499	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	464967380	YQYKMTIUDLQRNQ-CZAAIQMYSA-N	400.444	5.182	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1	466904268	HDXLXDPQSMBZCR-ICSRJNTNSA-N	400.478	5.139	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H](C)C(=O)c1cccc(F)c1	468061889	MMDLPCRYPHLJST-KRWDZBQOSA-N	416.452	5.646	30	20	HKED	
O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	468063085	YGSGZNBZVKZVJF-VXGBXAGGSA-N	411.361	5.361	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1	470546419	LPXPIWBRUOVPGE-HXUWFJFHSA-N	424.932	5.196	30	20	HKED	
CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1	473768107	UCGYBGKGIMZVJQ-CVDCTZTESA-N	404.558	5.177	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](NC(=O)c1ccc(OCC)cc1)C(C)C	476076391	AIMNXLFMCGKEME-QHCPKHFHSA-N	422.569	5.330	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)c2c(c1)OCCO2	476131494	CEBXUWTZGXQDGW-UHFFFAOYSA-N	416.315	5.325	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C	476141373	JPGKKDIAWNVIBC-UHFFFAOYSA-N	420.557	5.017	30	20	HKED	
CC(C)(C)[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1	480544420	GKODBVWLAIDPGZ-JOCHJYFZSA-N	409.505	5.038	30	20	HKED	
COCC[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(C)o1	482807917	XSRGLTGNSWSDBG-OAQYLSRUSA-N	420.534	5.260	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1	483209577	JUYXWEIDUIDGKW-FQEVSTJZSA-N	420.497	5.284	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1	483632602	DJWXRIAFIVZVKR-KUHUBIRLSA-N	412.415	5.210	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccccc1	483870261	MTOUHWLLRWMFHY-QFIPXVFZSA-N	421.504	5.019	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1	485466233	NGGKCGWAHMACIV-UHFFFAOYSA-N	420.509	5.286	30	20	HKED	
COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	488519425	GGVPUYMUIIEJRY-QGZVFWFLSA-N	411.811	5.082	30	20	HKED	
Cc1nnc(Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C#N)c1C	492099043	ARHBXGBBPZNACW-UHFFFAOYSA-N	400.482	5.307	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(CCC#N)CC(C)(C)C	494358813	BBTLAJAVQOCNQV-UHFFFAOYSA-N	417.962	5.364	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	504775065	JPBOGMFTWBONHY-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1	505030404	VTQDETVSWGLTGY-HXUWFJFHSA-N	415.331	5.173	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1	509000164	SGUODSQGIQUKKN-UHFFFAOYSA-N	424.776	5.106	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1	512198503	SYMDBNWSTXOYRI-VWLOTQADSA-N	418.537	5.147	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)Cc3ccccc3-4)n2)cc1	512504327	QHTZQKAAVIAEOA-HSZRJFAPSA-N	422.509	5.880	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(F)c2ccccc12	515250674	ZZFNBPSQQVYJEC-DLBZAZTESA-N	421.541	5.662	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1	518849299	ZDIZONIDRLKBLW-MRXNPFEDSA-N	417.214	5.206	30	20	HKED	
CC(C)CN(Cc1ccccc1F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	519909567	FTULKQYXBSCKLA-UHFFFAOYSA-N	422.529	5.435	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	520316050	ZLQZHUSHBDUBDF-YUELXQCFSA-N	405.350	5.987	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1	521811586	MMZRMAGIHKKFAG-KBPBESRZSA-N	422.381	6.613	30	20	HKED	
COc1cc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)[nH]c2cc1OC	522864561	KXHFMBKJNKBHBI-MRXNPFEDSA-N	417.490	5.107	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1nc2ccccc2o1	524627322	VQGIPCVZSXJFFJ-IBGZPJMESA-N	407.404	5.672	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F	525558276	DVYXZIPQFONITG-IFMALSPDSA-N	420.434	5.621	30	20	HKED	
N#CCc1ccnc(NC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)c1	532180700	WOHDCHXIDUOECM-HXUWFJFHSA-N	412.276	5.213	30	20	HKED	
N#CCCn1cc(CNc2ccc3oc(C(F)(F)F)nc3c2)c(-c2ccccc2)n1	532728399	QACYOMYDNSKFJF-UHFFFAOYSA-N	411.387	5.236	30	20	HKED	
C=C[C@@H](CC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1)c1ccccc1	533885922	JPWLLIPQWXCOMQ-INIZCTEOSA-N	409.917	5.087	30	20	HKED	
C=C[C@@H](CC(=O)N(CC)[C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccccc1	534682092	FVOSEFKIXGBGMV-AVRWGWEMSA-N	406.476	5.658	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)sc2c1CCCC2	535414077	RAYJJZDGBPDSMA-UHFFFAOYSA-N	401.491	5.003	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	535446900	NUBCKLSZZBONGL-UHFFFAOYSA-N	410.433	5.958	30	20	HKED	
C[C@H]1CCCCN1Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1	539600876	SFZADEKDEUMCRF-NRFANRHFSA-N	402.586	5.009	30	20	HKED	
C[C@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)c1ccc(-c2cccc(C#N)c2)cc1	543862396	QVHSIABCISRPAZ-OALUTQOASA-N	408.505	5.611	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2-c2nncn2C(C)C)sc2ccc(C#N)cc12	551775445	DBYKDFXCQVELKG-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
CSc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	554161651	ABMQGXJYUNTCQP-UHFFFAOYSA-N	419.909	5.148	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1cnccc1C#N	554729604	HOARGRPCXMSRIZ-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
CSCC[C@@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	554837030	KWASZHBQGGEWPY-DNVCBOLYSA-N	401.963	5.601	30	20	HKED	
C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cccs2)CC1	555439985	NHSLTGKDTFYXDL-INIZCTEOSA-N	412.534	5.069	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1	561127719	WODPTRMLKQSPBZ-UWJYYQICSA-N	402.416	5.240	30	20	HKED	
N#Cc1ccc(N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1[N+](=O)[O-]	569163605	KISFPXCHDOYWQA-IBGZPJMESA-N	423.270	5.020	30	20	HKED	
C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(OCC2CC2)CC1	570585851	RAZWWPVJCRUYBO-UHFFFAOYSA-N	421.372	5.223	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3oc(CO)cc3c2)c1	574202475	HHYXCLQHMZWOEB-UHFFFAOYSA-N	418.836	5.495	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1	579163810	BHVADVIBBYLESG-VXKWHMMOSA-N	405.498	5.080	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1	604254774	GYMWDDUZECKAHI-UHFFFAOYSA-N	415.880	5.719	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCCc3nc4ccccc4s3)c2)cc1	609209031	PVXUTBREWIBIHJ-UHFFFAOYSA-N	414.490	5.324	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(C#N)cc1	609378282	AKIVRVIMAKXNBC-UHFFFAOYSA-N	403.429	5.154	30	20	HKED	
CCc1nc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cs1	609725232	PMLGRIZFHPZKBD-UHFFFAOYSA-N	411.914	5.295	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1	610172932	GGZHYTFNPQHYGM-UHFFFAOYSA-N	414.509	5.025	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)CSc2ccc(C#N)cc2)cc1	610191515	QCJBYINUBKWINF-GOSISDBHSA-N	416.546	5.546	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c(Cl)c1	611093833	HQLCQIGIBMVYIC-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
N#CCCCOc1cccc(N[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)c1	611521545	RFJVVMHJBMSNOY-SFTDATJTSA-N	415.331	5.464	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1ccc2ccccc2n1	613291167	VBMRUJRPKASWIL-NRFANRHFSA-N	418.452	6.050	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F	613402004	XOCTUEQVYBNHKM-ZDUSSCGKSA-N	412.396	5.184	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc(-c2ccccc2)cs1	642281399	DSEJJZRUXODFGX-OAHLLOKOSA-N	404.882	5.344	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)n1	673815495	WCMWJBMQGSXNCA-CYBMUJFWSA-N	421.469	5.899	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(N3CCc4sccc4C3)cc2)cc1Cl	726487622	HAMACAPVPZGRBK-UHFFFAOYSA-N	424.982	5.645	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1	727589051	FZCCXRYNEUWJSN-GJZUVCINSA-N	409.533	6.144	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3cn(C)nc3-c3ccncc3)s2)cc1	727654426	MKSDDBFNRQFICW-HJWRWDBZSA-N	400.507	5.119	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cccc(C#N)c1	730148961	QVDHYNVJKFVWBM-MDZDMXLPSA-N	409.308	5.649	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cccs1	732047129	SMXJQZNNQBYFBS-HXUWFJFHSA-N	408.548	5.385	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N(Cc1ccco1)Cc1ccccc1O	732434583	CCBCETHGPGINIG-UHFFFAOYSA-N	423.472	5.014	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2-c2cccs2)ccc1OC	733619569	TXKQLCJBRDEJMI-QGZVFWFLSA-N	421.522	5.426	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1COc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1	733680080	VCZKMXORJDZNGG-GJZGRUSLSA-N	415.301	5.469	30	20	HKED	
CCOc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC	734059775	GSOFEBJBSKKDHW-JOCHJYFZSA-N	415.493	5.071	30	20	HKED	
C=CC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccncc1	734456675	AMCSESKZVXOHGB-GOSISDBHSA-N	418.349	5.488	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccncc1	734662069	VSUQGGRHSBTXOC-XZOQPEGZSA-N	405.929	5.635	30	20	HKED	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	735866753	COOFJWXKMLUTDQ-UHFFFAOYSA-N	401.466	5.500	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=S)Nc3ccccc3C#N)s2)cc1	739443285	HQLIJCIWZGEULS-INIZCTEOSA-N	406.580	5.688	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Cc3c[nH]c4ccc(Cl)cc34)c2)s1	739590670	MLXGDWULPUWHNA-UHFFFAOYSA-N	405.910	5.280	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Cc3ccccc3C(F)(F)F)c2)s1	739594762	QJLPBEPKKNKDEB-UHFFFAOYSA-N	400.425	5.164	30	20	HKED	
Cc1sc2ncn(N=Cc3cc4cc(F)ccc4o3)c(=O)c2c1-c1ccccc1	741759390	SYMGSMGPFVMGFN-UHFFFAOYSA-N	403.438	5.201	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1F	742961642	MBOBTOBXKYTJLQ-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccc(OCc2ccncc2)cc1	745626897	UURAJPNRXRTXTK-JLHYYAGUSA-N	409.489	5.359	30	20	HKED	
COc1cccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	745724153	KRUSYXGGPNOXLA-UHFFFAOYSA-N	405.498	5.418	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)[nH]c1C	746880974	HSEDSCPRXAAUET-UHFFFAOYSA-N	422.488	5.397	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)N[C@H](CCC#N)c3ccccc3)cccc21	748624134	UAYFSQOHJVUIEQ-LJQANCHMSA-N	420.513	5.151	30	20	HKED	
Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n(CCC#N)n1	748638964	XKALTYYQQQXGHH-UHFFFAOYSA-N	415.884	5.226	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)s1	749016524	IBZBBFHWFFFENV-QPEQYQDCSA-N	410.517	5.340	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OC	749454022	VIRNRPCCCYENAJ-BNXPMYBGSA-N	410.514	5.299	30	20	HKED	
CC(=O)Nc1ccc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	750910316	QRHOMSGMMOAAIK-QPJJXVBHSA-N	401.306	5.579	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nc2ccccc2o1	751831114	RWUAJRBAZHIAHA-HNNXBMFYSA-N	407.882	5.388	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	752635254	CWZCXQLZAVZHBN-NBHGPNQESA-N	415.459	5.832	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc2ccccc2c1	753392486	BZSRGHKJFQJPEJ-HNAYVOBHSA-N	420.896	5.261	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1	755524426	JJRAVLRCELVYRF-UHFFFAOYSA-N	403.294	5.251	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc(Cl)ccc2O)cs1	757468894	VLEKVRLYFPYTNV-WEVVVXLNSA-N	416.861	5.222	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc2cc(F)ccc2s1	759329986	VGJNMKOZDSKTHA-MWWKQMNYSA-N	407.857	5.527	30	20	HKED	
C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Nc1ccc(F)cc1OCC#N	761664550	MEKZOQIHANXRBW-NSHDSACASA-N	408.260	5.186	30	20	HKED	
CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccccc1C(C)(C)C#N	767808959	UWWTXQKSJGTJRX-UHFFFAOYSA-N	405.542	5.125	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)[C@H](C)c1ccc(C#N)cc1	772046778	MPSVBEMIBITOHJ-QGZVFWFLSA-N	407.514	5.437	30	20	HKED	
COc1ccccc1-c1nc(CON=Cc2ccc(Br)cc2)cs1	774797811	VCSBFICYFHPCTJ-UHFFFAOYSA-N	403.301	5.132	30	20	HKED	
C[C@@H](Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(C#N)c(F)c1	777035374	CKDIXFHRXBZFJK-CQSZACIVSA-N	413.294	5.072	30	20	HKED	
Cc1ccc(C(F)(F)C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	779831839	GDOQTGSBPBBGBA-ITGUQSILSA-N	403.313	5.113	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2nc3cc(Cl)cc(Cl)c3o2)ccc1OC	788533130	CBALFYJWVIGVSO-ZDUSSCGKSA-N	406.269	5.436	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1	793124409	OMSRCIJSGNYIOW-INIZCTEOSA-N	419.377	6.026	30	20	HKED	
FC(F)Oc1ccc(NC(=S)NCCCCC(F)(F)F)cc1C(F)(F)F	795015003	LFSUAWKIAGKRSL-UHFFFAOYSA-N	410.330	5.326	30	20	HKED	
CC(=C/c1ccccc1C(F)(F)F)/C=C/C(=O)c1ccc(N2CCNC2=O)cc1	799892785	PJKLSPXXSPQPFW-ADAMLCODSA-N	400.400	5.077	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1	802035382	GBZYLYLMLMJCFP-YWZLYKJASA-N	400.478	5.010	30	20	HKED	
COc1cc(/C=C(/Cl)c2nc3ccc(Br)cc3o2)ccc1OCC#N	812248813	QYBBQTWTDWXVET-MDWZMJQESA-N	419.662	5.238	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813214220	USMCGSPRVDMFJS-GXSJLCMTSA-N	403.187	5.051	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(Br)c1	813217257	JZGAPSVIIVFXOP-ZRUQZJFASA-N	409.205	5.061	30	20	HKED	
COc1cc(C(=O)Nc2nc(Cl)c(C#N)s2)cc(Cl)c1OCCC(C)C	813369385	MQYKYNMEYBITCH-UHFFFAOYSA-N	414.314	5.007	30	20	HKED	
Fc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2ccc(Cl)cc2)n1	916319679	GZXLWKCFYFDTOQ-UHFFFAOYSA-N	415.906	5.032	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)s1)C(=O)Nc1ccccc1Oc1ccccc1	916907156	VABMFGVTPGFSGT-QGZVFWFLSA-N	424.909	5.474	30	20	HKED	
CCn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21	916908052	KUVFDBJZMBJHQF-FQEVSTJZSA-N	423.472	5.415	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(Cl)c1	916937593	DCBUINBSWGXYFH-ZDUSSCGKSA-N	413.663	5.066	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3cc(C)ccc3Cl)n2)cc1	916975197	WHIOWSYKFZBMTM-DOTOQJQBSA-N	410.926	5.724	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	917042602	DBSWAJSXQCBHMH-AWEZNQCLSA-N	408.832	5.778	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C(C)C)cc2)cs1	917560024	QAALYBGSMVSNCF-SDNWHVSQSA-N	404.535	6.156	30	20	HKED	
COc1ccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1OCC(C)C	917644985	PSBGAZUOKCPNDJ-JAIQZWGSSA-N	424.547	5.007	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	918109426	MSECAUQZIKKEBL-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3SCC)CCC2)cc1	1791249407	SQRYDAVWCBBTQH-QGZVFWFLSA-N	423.582	5.154	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1	1792377262	ARSHVRWVGJDTIP-QMHKHESXSA-N	402.485	5.078	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](CC)c3ccccc3)C2)CC1	1809013851	YBEMJJMULRGFPO-BJKOFHAPSA-N	422.613	5.180	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824671658	CMSOSPQLQNRBPT-OAQYLSRUSA-N	414.615	5.058	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1828822118	FDLPNPTZIXSZHQ-AWRZONTFSA-N	420.597	5.088	30	20	HKED	
CCc1ccc(OCc2nnc(SCc3ccccc3C#N)n2CC(C)C)cc1	7481745	QJDMKUPWVQGBKQ-UHFFFAOYSA-N	406.555	5.239	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccccc2C)cc1	11166954	FFWBVGMSUUZXKI-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2F)cc1	11171137	DDNFZJBDPRKSFX-UHFFFAOYSA-O	421.561	5.850	30	20	HKED	
CC(C)OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	41514630	CWIIFQRIAFRBPY-IBGZPJMESA-N	410.926	5.879	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(N2CCCC2=O)c1	56469882	JIKNYUOWERABQZ-UHFFFAOYSA-N	411.461	5.038	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1	60477360	WHLRGYSYXOAQGR-MRXNPFEDSA-N	402.397	5.507	30	20	HKED	
CN(CCC#N)C(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	212500524	WAXQTFRUMUCJOQ-XLNRJJMWSA-N	402.519	5.240	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CCC2	303157667	SNOOCBIOIDAMDY-ICFOKQHNSA-N	401.897	5.361	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1	303309816	QPYCKGXRFZVGEL-UHFFFAOYSA-N	418.487	5.105	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1Cl	303401569	REIWYNMZORDZAX-OXQOHEQNSA-N	413.974	5.367	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)cc1	303844786	NLTQNTWBALNBTO-UHFFFAOYSA-N	416.452	5.317	30	20	HKED	
C=CCCc1ccccc1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1	410351975	GXOFEILQBXLUKV-RUZDIDTESA-N	420.372	5.094	30	20	HKED	
N#Cc1c(F)cccc1CN[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl	427409893	XXFRTVQIYCRNHT-QHCPKHFHSA-N	408.860	5.001	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)c2)n1	429686434	NHBYHVTYSSGBDC-CQSZACIVSA-N	416.911	5.192	30	20	HKED	
N#Cc1c(F)ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c1Cl	431212995	XRBKKEKUUNFFPU-IBGZPJMESA-N	413.239	5.170	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccccc1	431318193	GUSZPRWPBLWXKL-OWCLPIDISA-N	418.360	5.101	30	20	HKED	
CC1CCN(Cc2cccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)c2)CC1	431896981	WDLZHGQLHYLCSE-RUZDIDTESA-N	418.585	5.153	30	20	HKED	
CCN(CC)CCOc1ccccc1NC(=O)c1sc2ccc(C#N)cc2c1C	431981446	NBRIRSILVZKHHH-UHFFFAOYSA-N	407.539	5.054	30	20	HKED	
N#CCCn1cc(CN2CCc3c(-c4ccccc4)cccc32)c(-c2ccncc2)n1	434992093	QNFIIYIWXDNYLZ-UHFFFAOYSA-N	405.505	5.088	30	20	HKED	
CN(C(=O)c1occc1COc1cccc(C#N)c1)c1nc2cc(Cl)ccc2s1	435961988	BNZAPCQULGKDBU-UHFFFAOYSA-N	423.881	5.270	30	20	HKED	
CCSCC[C@@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437731626	KRSLETRUSGYJPN-OXQOHEQNSA-N	415.990	5.991	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(CC)Cc1cccc(-c2ccncc2)c1	437830238	WRZHGLFFDZYHBE-UHFFFAOYSA-N	400.482	5.073	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C1CCCCC1	438073791	NBVXBMDJWCVRLB-LJQANCHMSA-N	407.583	6.305	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1C(F)(F)F	438632611	DSTTYOPXAYVFNC-UHFFFAOYSA-N	405.401	5.466	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)c1ccccc1	438851252	OPLXGMYTSHQKHN-OAQYLSRUSA-N	413.974	5.651	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)c(Cl)c2)cs1)c1ccccc1F	438890247	LNDUTMYUDOVBEE-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2c2ccccc2C)cnn1-c1cccc(C#N)c1	439663813	MMOIWGYPNRQIPQ-QHCPKHFHSA-N	413.525	5.374	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1cccc(Br)c1)C1CC1)c1ccccc1	440254977	LTNOFKJBQUAAGU-HXUWFJFHSA-N	412.331	5.168	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cccc2c1CCC(C)(C)O2	441834468	SCNCKJYHBUENKE-MRXNPFEDSA-N	410.539	5.202	30	20	HKED	
Cc1csc([C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C2CC2)n1	460262283	TUHPNLZOUMNIML-FQEVSTJZSA-N	407.470	5.136	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)s1	463471964	STIUBEUERJWYEJ-UHFFFAOYSA-N	423.563	5.284	30	20	HKED	
CCCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	463963526	JDLMKTVJQYBHRK-KBMIEXCESA-N	415.512	5.533	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3cccc(C#Cc4ccccn4)c3)c2)n1	470601295	OTGMIVZDMFEGSK-UHFFFAOYSA-N	408.461	5.397	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cc1	472684308	GFNZWGUZUWGCOL-FDDCHVKYSA-N	421.516	5.255	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)n1	474432836	LIRAQHNQSZPTCB-AWEZNQCLSA-N	410.520	5.256	30	20	HKED	
COCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	475380218	DVOKWDCVEPVKRN-MRXNPFEDSA-N	418.459	5.356	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1	475563501	CLVGHRQADXZNLK-IBGZPJMESA-N	416.569	5.785	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	475570286	BSZJNIWVRWSPFI-QGZVFWFLSA-N	420.479	5.623	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	480936883	FACMPBQYXACZSL-QGZVFWFLSA-N	407.351	5.254	30	20	HKED	
C=C(C)Cn1c(SCc2ncc(-c3cccc(F)c3)o2)nnc1-c1ccncc1	481379495	ZVSQWEIZPWBHGF-UHFFFAOYSA-N	407.474	5.003	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC4(CCOCC4)c4ccccc43)cc2)cc1	481444462	ZPEXYSRHMYLPOO-UHFFFAOYSA-N	424.500	5.254	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nccc3ccccc23)cs1	483231589	NTRIWDOPPVJSDE-FQEVSTJZSA-N	415.543	5.782	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccnc(SCC(F)(F)F)c1	494730950	NIFDZIHWNIURIT-LBPRGKRZSA-N	411.474	5.240	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	498449290	LHZMREIVCOKYGZ-UHFFFAOYSA-N	403.530	5.060	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)CCCOc2ccc(C#N)cc2OC)c(C)c1	499741067	FRKUTYOWODGQRU-KRWDZBQOSA-N	412.555	5.564	30	20	HKED	
CCCc1noc2nc(CC)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12	503355130	OQEAHKJXCUWTJL-AWEZNQCLSA-N	408.527	5.242	30	20	HKED	
CCN(Cc1ccc2ccccc2c1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	504806480	PHEGGUMYVQULOK-UHFFFAOYSA-N	415.512	5.116	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	506321540	QMBPMXNRJRKSLN-JOCHJYFZSA-N	418.541	5.122	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1	509244441	CUFKVLHJPYVQJG-UHFFFAOYSA-N	421.570	5.232	30	20	HKED	
CC(C)(C)[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(F)cc1	509817228	AMKPCHUFAPYFML-JOCHJYFZSA-N	409.505	5.038	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(OC(F)F)c1	510457294	YFKNYRINTNRRJQ-HNNXBMFYSA-N	422.300	5.154	30	20	HKED	
CCCOc1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc2ccccc12	513269758	WDXRDQPPGFDMFN-INIZCTEOSA-N	405.523	5.670	30	20	HKED	
CCc1cccc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513955893	NWRTUWDBJDJZFY-UHFFFAOYSA-N	401.485	5.803	30	20	HKED	
C=C(C)CN(CC)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1	514931144	JDNBPQMPPJYZGF-UHFFFAOYSA-N	420.460	5.053	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccccc1-c1ccccc1	518241094	VLHXJHGYSWQJJO-LJQANCHMSA-N	416.546	6.155	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)CCCCOc2cccc(C#N)c2)s1	518361816	GVVJKLHYBFMYMK-FQEVSTJZSA-N	420.538	5.139	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc2ccncc12)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	519675356	PSYAQGRFYNSSKM-XHBUVVKHSA-N	414.534	5.044	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C(C)(C)C)cs1	520733758	OZZNVTZDBMGVJS-CQSZACIVSA-N	423.513	5.735	30	20	HKED	
COc1ccc(-c2nc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1	521352606	ALQGTKQFEVPKRY-INIZCTEOSA-N	418.305	5.120	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CCC2	522152716	NXOKJZHIIINFOO-VLGSPTGOSA-N	415.924	5.751	30	20	HKED	
COCCCn1c(S[C@@H](C#N)C2CCCCC2)nnc1-c1ccccc1Cl	522331920	LDRXZOJXZNWVPQ-SFHVURJKSA-N	404.967	5.200	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)c2)cc1	522531553	UUIIELAJVBVUFE-RTWAWAEBSA-N	418.443	5.352	30	20	HKED	
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1occc1COc1cccc(C#N)c1	523273610	RPZADSNACIGWDM-SFHVURJKSA-N	402.494	5.216	30	20	HKED	
N#C[C@H](C(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc2cc(Cl)ccc2s1	524270894	ABKJHUWEXWSROH-SNVBAGLBSA-N	402.813	5.254	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)cs3)cc2)c1	524386376	ZCRDXNBOIHMTKK-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	524853939	TVRWALVVUZLMSQ-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
C[C@H](N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(C#N)cc1	525248969	KMMYRDLPMFFDHR-ROUUACIJSA-N	401.485	5.290	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](C)c1ccccc1C(F)(F)F	525542814	ILFPJVOSZABPDK-HNNXBMFYSA-N	406.404	5.322	30	20	HKED	
Cc1nc(O)c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1-c1ccccc1	530932562	JYIDGSBUAIJFHB-SFHVURJKSA-N	412.276	5.064	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1)OCC	533717779	LFWLOTLJQYJQKV-QHCPKHFHSA-N	420.509	5.132	30	20	HKED	
CC(C)Cn1cc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C(F)F)n1	534886544	LRYWHPFBCNWVCL-CYBMUJFWSA-N	407.490	5.372	30	20	HKED	
CCC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	537060287	WHFAIBBBHSCTGP-SFHVURJKSA-N	400.404	5.258	30	20	HKED	
CC(C)(C)c1ccc(C2(NCc3nnc(-c4cccc(C#N)c4)o3)CCCC2)cc1	538276901	UOFSOZBLDIPDIW-UHFFFAOYSA-N	400.526	5.465	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	539754865	LNEOQLMPBHHAPI-STQMWFEESA-N	424.492	5.056	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1ccc(Br)c2cccnc12	541303921	KHIRTDBTAUVRFG-CQSZACIVSA-N	412.356	6.004	30	20	HKED	
C[C@@H](C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)c1ccc([N+](=O)[O-])cc1F	541615026	YDPIQUGWDRLOKM-GFCCVEGCSA-N	421.453	5.175	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543017994	SRSVKCOMULUYTC-HXUWFJFHSA-N	420.516	5.556	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3OC(F)F)o2)cc1	547234739	FTSULNKRBAXBLQ-UHFFFAOYSA-N	418.783	5.237	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F	570949433	GQAMGLFQWMJSOE-IBGZPJMESA-N	404.476	6.081	30	20	HKED	
C=CCc1cc(CNc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc(OC)c1O	571467778	DOKVDNNLSWVALC-UHFFFAOYSA-N	408.542	5.146	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	573632884	QZUGEMALAIUITC-HXUWFJFHSA-N	418.541	5.218	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F	581750444	ISIWFSUHSGLYFJ-MRXNPFEDSA-N	424.467	5.404	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(F)(F)F)s1	586123258	MPOISMQDCOMJEF-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1	590529996	LJOSJFLWWXZOKZ-FQEVSTJZSA-N	416.443	5.379	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(CC#N)cc1	603650906	MNCGPRWVHZZGIL-UHFFFAOYSA-N	421.504	5.269	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1Cl	603759116	UPSMVVOBDIGUTQ-LJQANCHMSA-N	415.880	5.708	30	20	HKED	
C[C@H](c1ccccc1)n1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccccc1	603917215	FBYAEXFQGUPQFW-XXBNENTESA-N	410.546	5.781	30	20	HKED	
Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	604003885	PEHLFCNNXFVXFW-IBGZPJMESA-N	416.546	5.759	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2C)cc1	604358247	JCXKUBGYOPPZBM-UHFFFAOYSA-N	422.488	5.714	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12	609019990	FCBVPWCFEGPMDQ-UHFFFAOYSA-N	415.880	5.975	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)c2)cc1	609177252	NJKRKATVLWUBKT-UHFFFAOYSA-N	405.816	5.877	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3CN3CCCC3)cc2Cl)cc1	609207167	JKTVYSJWSZBSFD-IBGZPJMESA-N	424.932	5.096	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(-c4cccs4)c3)CC2)c1	609208311	QWEGTTKOIMDAHA-UHFFFAOYSA-N	403.507	5.362	30	20	HKED	
N#Cc1ccc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C(F)(F)F)c1	609213624	VLVGFGZNTTWBRI-UHFFFAOYSA-N	414.353	5.072	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1ccc(Br)cc1	609377737	KPZYOLDPWBFTJX-AWEZNQCLSA-N	417.372	5.617	30	20	HKED	
CCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	609437153	SNBUYJHNKLBZOY-UHFFFAOYSA-N	414.465	5.021	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1	609438109	BWFZVIKLOQNZGR-IRXDYDNUSA-N	422.554	5.090	30	20	HKED	
C[C@H](SCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OC(F)(F)F)cc1	610217726	IJFMTKVLIBTHFJ-LBPRGKRZSA-N	405.401	5.501	30	20	HKED	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cccc(C#Cc2cccs2)c1	610465650	YJEMZOWWMDEHIT-CQGGRAHPSA-N	422.575	5.110	30	20	HKED	
Cc1cccc2c(N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)c(C#N)cnc12	610929825	GQJJMLLAWSVDNE-ZDUSSCGKSA-N	402.445	5.274	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CSc2ccc(C#N)cc2Cl)cs1	611102494	OSKOHDTYRRBHGD-UHFFFAOYSA-N	417.918	5.784	30	20	HKED	
N#CCCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc(F)cc1	611185888	ZADHQNXEOQYJEN-UHFFFAOYSA-N	401.413	5.447	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	611829159	KNEKHUURUNNXND-JCIQBVFBSA-N	413.324	5.381	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1-c1ccccc1	613320067	TUNUUMYVVNODFY-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2c1C	613404560	UFVHHTINXPLXPX-HNNXBMFYSA-N	413.424	5.903	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC4CCCC4)cc3)n2)cc1	619756436	HWMAJOZIFJNQOI-OAQYLSRUSA-N	418.518	5.630	30	20	HKED	
C=C(C)COc1cc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC	678208553	SLXAJXFUPNJRAR-GASCZTMLSA-N	411.386	5.213	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCN(c2ccccc2C#N)CC1	726081246	PODWEZHPGLHGJA-UHFFFAOYSA-N	408.571	5.111	30	20	HKED	
Cc1cccc(COc2ccc(C(=O)/C=C\c3nccn3CC(F)(F)F)cc2)c1	728697118	CXTKRXRKGBUABE-KTKRTIGZSA-N	400.400	5.229	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCCC2=O)cc1	730579509	TVEMLZBMWMGQND-XFXZXTDPSA-N	408.910	5.486	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC(F)F)cc1	733081066	LZGZHTJHETZHTI-RMKNXTFCSA-N	402.378	5.216	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3ccc(C)c(C)c3C2=O)cs1	737445103	WACMVUDXJXAUGY-WOJGMQOQSA-N	418.518	5.412	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCc4[nH]c5ccccc5c4C3)c2)s1	740483134	NPNNKHGHJIDTNI-UHFFFAOYSA-N	412.518	5.036	30	20	HKED	
CC(C)N(Cc1ccccc1F)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740484007	HDSWZFAARKHSEY-UHFFFAOYSA-N	407.514	5.546	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1	741471350	ZJOJOJURTJNLPA-FYWRMAATSA-N	404.462	5.284	30	20	HKED	
CCCCOc1cc(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)ccc1OC	741853045	XLALNBOFEWQLCP-XYOKQWHBSA-N	415.493	5.136	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)/C=C\c2ccccc2C#N)cc1	744281294	XHZXODCVKCEYCH-NVNXTCNLSA-N	416.864	5.107	30	20	HKED	
N#C[C@@H](C(=O)c1scnc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	744936996	ZUVXCLTZJCQXDE-VIFPVBQESA-N	414.726	5.717	30	20	HKED	
C=CC[C@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccncc1	745827516	LEIMWVBXHOONFX-IBGZPJMESA-N	403.448	5.139	30	20	HKED	
O=C(O)CCOc1cccc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)c1	746683729	OLGCNXDSARIHAB-FLIBITNWSA-N	412.388	5.191	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1cccc(OCc2ccccc2Cl)c1	747088531	QMBNWWHCJPNVDW-DEDYPNTBSA-N	412.942	5.422	30	20	HKED	
Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3CCC(C#N)CC3)c2c1C	747088539	UWGYTBXOTBLFJN-UHFFFAOYSA-N	414.481	5.317	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(CSc2ccccn2)c1	748513586	PSEDMFBOLLEILD-UHFFFAOYSA-N	414.490	5.190	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccnc(Cl)c1	748587465	XVGWRDAXLZFLSU-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
C=C(Br)CNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1	748622188	FLBHDRWUQPMBOA-INIZCTEOSA-N	418.335	5.220	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)n1	749034674	LTBRLZBZQVHXGV-FQEVSTJZSA-N	407.564	5.519	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1O	750915514	GFSYOANMZUJRAN-ARJAWSKDSA-N	420.305	5.343	30	20	HKED	
CC(C)(C)SCCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	754530143	CHLWQNVHPCRHGG-GFCCVEGCSA-N	400.491	5.803	30	20	HKED	
C=C(C)[C@@H](CC(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21)OCC	756468247	AMQGKXHGUDKNJF-QFBILLFUSA-N	411.523	5.119	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C3/CCc4cc(C#N)ccc4C3=O)c21	757530173	SMVAAVDRJLYRNK-ZHZULCJRSA-N	400.478	5.068	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccncc1	758488618	RNRGHKOMFBWZEV-QGZVFWFLSA-N	418.280	5.003	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1	761663257	ICUWUTQNMMEVOX-UHFFFAOYSA-N	424.863	5.638	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1	766089825	RLHRAXWMONPIMS-HNNXBMFYSA-N	423.875	5.634	30	20	HKED	
O=C1/C(=C\c2nc(-c3cc(Cl)ccc3Cl)cs2)CCc2nc(O)ccc21	769609131	GMNBVQNLJWWBCA-YFHOEESVSA-N	403.290	5.430	30	20	HKED	
N#CCOc1ccc(COC(=O)c2csc(-c3cccc4ccccc34)n2)cc1	778189826	UUEHMMAGDYESRC-UHFFFAOYSA-N	400.459	5.223	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1	788521440	JSVSLVIBUDKKQW-UHFFFAOYSA-N	401.409	5.218	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1cnc2ccccc2n1	792101721	CBSRSQNYXIZFQY-DVECYGJZSA-N	413.477	5.479	30	20	HKED	
N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1cnc2ccccc2n1	792109919	WUVBNYSXCNYBAJ-QGZVFWFLSA-N	422.513	5.499	30	20	HKED	
N#CC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	796634121	RBCUQIAPKDUISS-UNMCSNQZSA-N	423.472	5.214	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CCOCC1	800163313	GAPLBXVKCWXCCC-UHFFFAOYSA-N	421.465	5.274	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813215294	WFLMDNUOGSFKBC-QMTHXVAHSA-N	401.215	5.462	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)sc2ccc(Br)cc12	815897853	JWQQVRYKLWBOFW-AWEZNQCLSA-N	424.323	5.349	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	914490679	CMCRDPVDTWJMAD-WAYWQWQTSA-N	412.333	5.268	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccc(Cl)cc2)c1=S	914567085	YYINLTMBJPEFCB-IBGZPJMESA-N	411.962	5.110	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1	916843803	JNEADHPKDISVON-OAHLLOKOSA-N	414.328	5.112	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccsc3)n2)COc2ccc(Br)cc21	920065799	LOLXAAJSGSQULW-VZUCSPMQSA-N	404.310	5.293	30	20	HKED	
N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CC4CCCC4)cc3)CCC2)cc1	1787618503	LPGMUIFQGFZBOX-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCCO3)CCC2)cc1	1789624136	LMSXVTBVQNIXJA-NRFANRHFSA-N	412.574	5.072	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1	4285863	HSYBZJYMCFRBIJ-KRWDZBQOSA-N	414.534	5.404	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1	14794166	BDRZOBLSEFEOBX-QGZVFWFLSA-N	402.450	5.155	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cnn1-c1ccc(Cl)cc1	41540159	HUFWUSGZRQXBAT-MRXNPFEDSA-N	404.857	5.280	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1	46443443	LONRCRUDUNPKJW-CQSZACIVSA-N	418.261	5.515	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	46706948	NBWSPKFWVABEAB-MRXNPFEDSA-N	405.523	5.063	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cc(Br)c1O	46882368	DJKKRCHLFKBNRL-VOTSOKGWSA-N	410.333	5.122	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1	55823824	LQXHBTJFWAYIGP-DHIUTWEWSA-N	400.453	5.213	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1	63299769	YOHCMAMTTHCKBZ-UHFFFAOYSA-N	416.550	5.196	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1O	72041995	GDOZHKVRXQQZTD-AATRIKPKSA-N	401.178	5.078	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCSc2cccc(Cl)c2)n(Cc2ccco2)c1C	72076753	BHTXQMAFSOKPIH-UHFFFAOYSA-N	413.930	5.392	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	107567815	PMPTURPWYZMHFY-UHFFFAOYSA-N	417.412	5.184	30	20	HKED	
N#CCCCOc1cccc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)c1	110403492	CNWYMTWHMQAGFH-SDXDJHTJSA-N	406.507	5.774	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1	111184303	AKNMVVAJICNSDT-UHFFFAOYSA-N	419.550	5.893	30	20	HKED	
C=CCn1c(SCc2ncccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1	428068838	GZELNTMGZDVHJU-UHFFFAOYSA-N	410.852	5.491	30	20	HKED	
CCN(CCC#N)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	429041972	CTSQCHXDGWKQSC-UHFFFAOYSA-N	418.419	5.034	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)s1	430594103	FUQBDRLGDHCLBC-LBPRGKRZSA-N	416.396	5.133	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1	430601308	ZHGZUNOGXZGHRF-NRFANRHFSA-N	417.578	5.563	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1C#N	435359284	SCBJBBQKYCLQSO-UHFFFAOYSA-N	405.502	5.047	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1	436163386	VZQULQDHGWKLDB-UHFFFAOYSA-N	418.500	5.677	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)cc1	438834578	AELMMUQBDLLXCM-YADARESESA-N	413.521	5.767	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(C#N)cc1	439563420	AGJLMFAMECQMLC-QGZVFWFLSA-N	415.924	5.864	30	20	HKED	
CCCc1c(NC(=O)c2ccc(F)cc2C(F)(F)F)cnn1-c1cccc(C#N)c1	440101689	TWVRYNMJXWNGBS-UHFFFAOYSA-N	416.378	5.107	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1Cc1ccncc1	460372244	DLJQGOAUOHMEMV-GOSISDBHSA-N	420.925	5.301	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(COc2ccccc2F)on1	466427492	AAVBLGQHFYFWGQ-CQSZACIVSA-N	411.458	5.039	30	20	HKED	
CC(C)CO[C@@H](C)c1noc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	467191695	OPPLLCSHKIZAFP-SFHVURJKSA-N	422.504	5.016	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC3CCC(c4ccc(O)cc4)CC3)ccc21	470150059	AERGJSMUIFZEEU-UHFFFAOYSA-N	403.526	5.113	30	20	HKED	
CCCn1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C	470352856	FKEDEYZBXMSLAI-UHFFFAOYSA-N	408.889	5.480	30	20	HKED	
CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CC2	476669561	LUPGKYPLALANHY-VGSWGCGISA-N	412.537	5.054	30	20	HKED	
N#CC1(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CCC1	480343364	SQJJFDBADMEHJT-UHFFFAOYSA-N	420.778	5.541	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1	480589815	WJMJUJUQESITAN-INIZCTEOSA-N	419.978	5.015	30	20	HKED	
O=C(NC1CCC(F)(F)CC1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482453567	OMQVWUBJUMHKMW-GFCCVEGCSA-N	404.301	5.186	30	20	HKED	
COc1cc(OC2CC2)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	482552936	GGSITNONBKRGEA-IBGZPJMESA-N	404.491	5.158	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nccc2ccccc12	483231018	MYNGYWMPDFVGLW-HXUWFJFHSA-N	421.485	5.034	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@H](C)c2c[nH]c3ccccc23)cc1	485774242	ZHTWULOYEYCWOQ-SFHVURJKSA-N	401.510	5.114	30	20	HKED	
C[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1	486792669	VOXYLLCFUKUWKL-MRVPVSSYSA-N	402.335	5.093	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCc1cc(Br)ccc1F)c1ccccc1	487384589	AULLZOBJNOEVIC-LJQANCHMSA-N	403.295	5.072	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1	487614421	BXPZUSDVRIAPOJ-QHCPKHFHSA-N	415.468	5.243	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2sccc2C)o1	488816641	CWGKKXJDZBTDHL-UHFFFAOYSA-N	403.554	5.115	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccs1	489427625	DHZRRNPAGIHQAP-CQSZACIVSA-N	409.540	5.404	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2cccc(Cl)c2)cc1C	491112154	XLWICQKXYQHHNG-UHFFFAOYSA-N	406.917	5.006	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	494327703	IKPKDAUYYSBHML-RBUKOAKNSA-N	421.953	5.819	30	20	HKED	
CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccc(C)cc1)c1cccnc1	496476283	WZLNAPWNEBFUSA-RUZDIDTESA-N	415.562	5.133	30	20	HKED	
CCCN(C(=O)c1sccc1C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	497981909	KFIJAGHAZQDYBI-UHFFFAOYSA-N	422.362	6.107	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)n1	500746912	WTVSWIXHJKXLPN-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc4ccccc4c3)c2)cc1	501463234	SQCMTXZFCPMLNN-UHFFFAOYSA-N	422.484	5.502	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Cl)s1	510757907	DLJBDMMASAEPKM-OAHLLOKOSA-N	400.887	5.326	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	511321216	JMXKVWOUBQPHAN-UDSSINMLSA-N	403.526	5.278	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513956728	IITMGXMSATWUKS-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)s1	517529950	LGCVTLORTVDCNO-NSHDSACASA-N	410.362	5.227	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCCOc1cccc(C#N)c1	521093049	QQKMSZUHTXSAHG-OAHLLOKOSA-N	405.325	5.634	30	20	HKED	
CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1cccnc1	523768338	NZXLJFIBCVBUPY-VGSWGCGISA-N	418.928	6.005	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	538130602	FMAFCCWMEVRVBW-CRAIPNDOSA-N	401.963	5.271	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F	538226573	TZLVYFYYPIXEFF-QRQCRPRQSA-N	417.525	5.284	30	20	HKED	
CCn1c(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2cc(F)ccc21	538321582	QCESOKWYQVNHET-KRWDZBQOSA-N	419.344	5.607	30	20	HKED	
C=CCCC[C@H](C)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F	538328116	VYEVUXZWMKFTOA-LBPRGKRZSA-N	419.369	5.385	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1	538534435	HYYBBOYQGUMRTI-FQEVSTJZSA-N	406.844	5.589	30	20	HKED	
N#C[C@@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc(-c2ccncc2)cs1	540684136	LGHZMPKEDYUTGS-AWEZNQCLSA-N	406.854	5.004	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)n1	542329608	GHYKLOHFAHXAND-CYBMUJFWSA-N	405.401	5.430	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1	542931804	LDNOVWFJAHZPFI-INIZCTEOSA-N	410.486	5.267	30	20	HKED	
COc1cccc(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1OC	543858482	SNEXDEPYKULNIH-GOSISDBHSA-N	414.505	5.052	30	20	HKED	
C=C(C)Cn1c(SCc2nc([C@@H](C)c3ccc(C)cc3)no2)nnc1-c1ccco1	546382432	CXGFAILLRPLGNH-INIZCTEOSA-N	421.526	5.250	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(C#N)cc1	548513581	SYNGFYQVJFDENB-BZNIZROVSA-N	415.337	5.241	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O)c1ccccc1	554763715	IUTXOIBOTZGDHX-JOCHJYFZSA-N	419.500	5.173	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)c1	556966470	OKUOITKSHISOAA-LJQANCHMSA-N	424.863	5.158	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1	558382454	ZIUZKTZGARNNJI-MRXNPFEDSA-N	402.498	5.232	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1ccc(Cl)cc1	560207326	ZHFLUJIVMGXHDQ-HNNXBMFYSA-N	401.963	5.055	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	560463104	ZZIYJMSLYMNYCT-UHFFFAOYSA-N	411.505	5.609	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)ccc12	561716138	MLASUYMGEYUSJW-UHFFFAOYSA-N	423.472	5.146	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(CC(F)(F)F)CC2)c1	563333759	BYYCVQKDMSTZDN-UHFFFAOYSA-N	422.834	5.809	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)N(CCC#N)c3ccc(F)cc3)cc12	576009537	OMMHOEBFEZKMOR-UHFFFAOYSA-N	418.497	5.154	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3scc(C)c3C#N)c3cnn(C(C)C)c3n2)s1	578553343	KLCIWBOCALXGSD-UHFFFAOYSA-N	421.551	5.543	30	20	HKED	
C=CCn1c(SCc2nnc(C(C)C)o2)nc2scc(-c3ccccc3)c2c1=O	588782549	NTWKFSSTLLPKSC-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
Cc1ccc(Oc2cc(-c3noc(C[C@H](CC#N)c4ccccc4)n3)ccn2)cc1C	589098423	SBGDTBVEDZIGPF-FQEVSTJZSA-N	410.477	5.781	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(OC)cc1	589260081	DVEBERJRXRLAEG-VWLOTQADSA-N	418.562	5.291	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)sc2ccc(C#N)cc12	589981295	KRRPNCJYTGHMDF-UHFFFAOYSA-N	410.458	5.393	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2sc(C)c(C)c2C#N)o1	603445013	JICUUVRVEWIMSG-UHFFFAOYSA-N	402.479	5.243	30	20	HKED	
N#Cc1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1-c1ccco1)CCC2	603818569	QQDWCHOXEXPKED-UHFFFAOYSA-N	409.898	5.086	30	20	HKED	
Cc1[nH]c2ccc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2c1C	604452810	QILCMQXZCFJBOU-UHFFFAOYSA-N	411.465	5.165	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1F	605479798	VPAZIFBUECDTHW-UHFFFAOYSA-N	411.273	5.047	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1	608803481	JIEMTYSSSLEMBX-KRWDZBQOSA-N	404.466	5.008	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1C	609058711	MLMFAUNNIHWJND-QHCPKHFHSA-N	400.478	5.324	30	20	HKED	
COC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1Cl	609498655	VLERPKMJDCBVPU-UHFFFAOYSA-N	420.852	5.237	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1	609980670	REFOEZZELBXUSO-UQBPGWFLSA-N	406.526	5.034	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(C#N)c1	610317830	ISVDEIIGQWBDCE-CQSZACIVSA-N	402.420	5.060	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1	612308031	NQHQWVGBDJWLOX-IBGZPJMESA-N	404.392	5.050	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1cccc(Cl)c1	613391980	FVLROBJWLGQEGC-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	619804408	WJEVZXZRFJZDJD-UHFFFAOYSA-N	411.933	5.584	30	20	HKED	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCC#Cc1ccccc1	643646574	WQUHDSWCILQMHC-UHFFFAOYSA-N	414.455	5.214	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	680491051	WIXWOVYWASGDAY-HTQZYQBOSA-N	424.719	5.872	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726477664	XUBBSVFZXFMCCA-UHFFFAOYSA-N	422.779	5.582	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(OCc2cccc(C)c2)c1	726754433	HNNBVTZYAZOVGW-UHFFFAOYSA-N	421.500	5.323	30	20	HKED	
CC(C)(C)c1nc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1	726858893	XWGGWVGUVYHKGR-GFCCVEGCSA-N	423.485	5.488	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1F	726860026	WRJQHOHQSACIEO-GXTWGEPZSA-N	400.425	5.597	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2nc(-c3ccsc3)oc2C)cc1	727037970	AXJPJWDTYPOQJG-IFXJQAMLSA-N	421.522	5.115	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccccc2Cl)n1	727628266	SZRHGKNLSMEINJ-GFCCVEGCSA-N	416.289	5.078	30	20	HKED	
C#CC[C@H](OC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccccn1	727775572	JURGISCERXJQDP-KRWDZBQOSA-N	416.424	5.454	30	20	HKED	
O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc(C(F)(F)F)nc1O	731564974	WWHVAFPUYGZBGL-VMPITWQZSA-N	416.380	5.572	30	20	HKED	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	733095417	GYCSHDAUYHNVDX-YWZLYKJASA-N	408.860	5.541	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1	733621741	NUDKSCLCTLYHGL-QHCPKHFHSA-N	415.493	5.320	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)/C=C\c1ccccc1C#N	737734250	WWVLZFQTWOOFMZ-WQLSENKSSA-N	410.452	5.211	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1	738694037	XUFCTQVEOKASOP-SFHVURJKSA-N	402.494	5.037	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	739141746	BDXCYDAGDZBZSH-RDTXWAMCSA-N	419.550	5.208	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccccc3N3CCCC3)c2)s1	740430557	PFFCVNWPMSHCNS-UHFFFAOYSA-N	402.523	5.209	30	20	HKED	
CC(C)[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	744038706	ZVGRARFOVYJYKN-CRAIPNDOSA-N	402.441	5.931	30	20	HKED	
CSc1ccc(F)cc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	745928205	AOLPULANBZIKFV-NRFANRHFSA-N	405.498	5.525	30	20	HKED	
N#Cc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)s1	748998574	MMYWNCAIJPANTA-SDQBBNPISA-N	401.925	5.795	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(CC)[C@H](C)c2cc3ccccc3o2)cc1C#N	752295813	XMKUTDAZTFZRNV-OAHLLOKOSA-N	420.469	5.488	30	20	HKED	
Cc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-]	752636256	JOURWIVBNDNZDC-VGSWGCGISA-N	414.465	5.441	30	20	HKED	
C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1	758908207	NYONVEUHJXIPSN-LJQANCHMSA-N	420.534	5.539	30	20	HKED	
C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@@H]2c2cccc(C)n2)c1=S	765106974	UILYLLUBAOWOHP-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	765969934	YMXFHLRNSZAPGN-KSFYIVLOSA-N	419.456	5.123	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1	772981805	BECREWBUEOEWIP-ZEQKJWHPSA-N	418.512	5.589	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccccc3F)nc2C)c1	772985436	RQAXCIAKYKGELV-CRAIPNDOSA-N	409.530	5.789	30	20	HKED	
CN1C(=O)CCc2cc(/C=C\C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])s3)ccc21	774119139	LGGRCJBVJFHQJS-YFHOEESVSA-N	418.474	5.128	30	20	HKED	
CCCCCn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2OCC)c2ccccc21	777301488	FENFXEHNEFQTBH-IBGZPJMESA-N	417.509	5.191	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1	777323854	MWNHHLRETWWXLM-SJORKVTESA-N	413.543	5.099	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1	779494241	KGANDKOBGQLLCD-UHFFFAOYSA-N	413.493	5.071	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21	785879584	FFTGWBZXQUWSRN-IBGZPJMESA-N	406.486	5.023	30	20	HKED	
Cc1ccc(COc2cccc(NCc3cn(CCC#N)nc3-c3ccncc3)c2)cc1	788524130	NXCLGZGXXQKRFL-UHFFFAOYSA-N	423.520	5.358	30	20	HKED	
FC(F)(F)c1ccc(Cl)c(N=C2NN=C(c3ccncc3Cl)CS2)c1	788911272	LUDNLTTXUJUGBI-UHFFFAOYSA-N	405.232	5.135	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccccn2)nc2ccccc12	790813584	QLMVWUNCFRIDPD-ATIYNZHBSA-N	418.500	5.209	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(O)c3ccsc3c2)cc1	791327712	GQPNDMWOMQIOCL-UHFFFAOYSA-N	414.486	5.504	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1nccc2ccccc12	792101447	GORBNCNJRCIPGT-JOCHJYFZSA-N	416.484	5.383	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2ncnc3scc(C(C)(C)C)c23)ccc1OC	793097035	AULGGKNRTBYXMJ-OAHLLOKOSA-N	410.543	5.290	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)OCCCC3(C#N)CCOCC3)cn2)cc1	800172735	LJIPKNGFYCFKDJ-UHFFFAOYSA-N	422.525	5.429	30	20	HKED	
O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@@H](F)c1ccc(C(F)(F)F)cc1	801653316	DDNYLHNAYQDJHN-INIZCTEOSA-N	423.328	5.111	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Br)c1	813060883	MTPGTVRTNGMYAN-SMDDNHRTSA-N	418.241	5.174	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1C(F)(F)F	813217005	AOQNOOKYYNZSRS-BXUZGUMPSA-N	400.322	5.489	30	20	HKED	
Cc1cccc(C)c1N1C(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)SC1=S	814279180	NESZXMBWTFXEGW-XMHGGMMESA-N	407.564	5.059	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)CC(=O)c2cccc(Br)c2)n1	821626087	DCJPIRMGSBNNGS-IUODEOHRSA-N	419.344	5.114	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H]2c2cccs2)c1=S	915839707	KQFGSOOYDPXUKP-QGZVFWFLSA-N	400.548	5.262	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)/C=C\c3cccs3)s2)c(C(F)(F)F)c1	916055715	LYTZMQNZJITHLF-WAYWQWQTSA-N	419.453	5.338	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(F)cc2F)cc1OC	916128217	OVIZYKUYBAIABF-DAXSKMNVSA-N	411.242	5.421	30	20	HKED	
Cc1ccc(Oc2ccc(OCC(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)cc1	916846393	SGXIPEWTQZUJNP-FQEVSTJZSA-N	414.486	5.652	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2nc(-c3cccs3)oc2C)cc1	916948252	FMMLEIDQGIZHDI-KBXCAEBGSA-N	421.522	5.115	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccccc3)n2)cc1	916956401	ZZEYLDDGDBCLNV-IERDGZPVSA-N	417.534	5.214	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1	917025497	LWJFQTFJJCDAFV-OAHLLOKOSA-N	421.572	5.723	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc4c(c3)CCCC4)n2)cc1	920138262	BXWXKMCYRMSBQH-NRFANRHFSA-N	402.519	5.116	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccc(F)c(F)c3)n2)cc1	920140949	DILHTRROTZVNML-OAHLLOKOSA-N	416.474	5.065	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SC(F)F)cc3)n2)cc1	920141378	NWIQOZZERBYBJB-MRXNPFEDSA-N	411.458	5.487	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2)CCC1	1789107037	IFMBLUSUZMDWBQ-UHFFFAOYSA-N	408.929	5.082	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4[nH]ccc4s3)CCC2)cc1	1791728843	BEVMAMOTEJSIJW-UHFFFAOYSA-N	419.550	5.171	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1	1819554969	UVKGOUSWPXHMBD-QUCCMNQESA-N	412.578	5.141	30	20	HKED	
Cc1cccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)c1	7034558	UQUJTZRYTVUSML-INIZCTEOSA-N	407.930	5.432	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccoc1C	22164953	UJGMVGXHLDNSHB-UHFFFAOYSA-N	413.890	5.028	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)c1ccc(C#N)cc1	45500902	VECBCGCKQKRIEF-MRXNPFEDSA-N	407.901	5.409	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)NCCc1ccc(-c2csc(C)n2)s1	62476809	AFQREKXLGVQTAA-UHFFFAOYSA-N	411.596	5.163	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1	195612631	KWQNXXNTSPFOJW-UHFFFAOYSA-N	412.276	5.624	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)c(F)c1	255952280	OQVJHSZDJGGGOI-HNNXBMFYSA-N	408.473	5.620	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cc(Cl)cc(Cl)c1	303296377	BULAKUYXANPYNV-CQSZACIVSA-N	422.381	5.316	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(F)c1	303565375	AUGASYDUFMGHGK-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	304084171	WGDQMCLANXMEGN-JLZZUVOBSA-N	405.350	5.987	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1	410156106	WLDOVGMZXMJVET-GFCCVEGCSA-N	402.869	5.879	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1	426116469	YCDUVPMKJMZHEW-INIZCTEOSA-N	401.413	5.059	30	20	HKED	
CN(Cc1ccccc1-c1ccccc1)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428917230	PJAMOFUTVBFZTD-UHFFFAOYSA-N	420.516	5.403	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cn1	432070912	CYXWTEPIZDLSHW-CHWSQXEVSA-N	419.348	5.121	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1	432765888	DZVJHXCJNGCGOO-QHCPKHFHSA-N	412.493	5.496	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)c1c(F)cc(C#N)cc1F	432880403	XKFOLDHFRUPHHH-UHFFFAOYSA-N	410.445	5.390	30	20	HKED	
N#CCCC[C@H](NCc1coc(-c2ccc(Br)cc2)n1)c1ccccc1	433016765	UMOQGIWPDWCMKY-FQEVSTJZSA-N	410.315	5.629	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H](c1ccccc1)c1ncc[nH]1	433134343	QQJQGTWDMGIHKJ-HSZRJFAPSA-N	423.476	5.327	30	20	HKED	
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433628592	NICBPXDSTQSGHU-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2[nH]nnc2-c2ccccc2)cc1Cl	435528424	VRBSOHHQYGKBAV-LJQANCHMSA-N	413.868	5.033	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCCO1	438548147	ROKHJPOAIREBLW-CQSZACIVSA-N	419.403	5.012	30	20	HKED	
CCCc1c(NC(=O)N2CCC(c3ccsc3)CC2)cnn1-c1cccc(C#N)c1	439681187	NQDUGJOQVQUEKI-UHFFFAOYSA-N	419.554	5.169	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccc(C(F)(F)F)cc1	442271958	JJGMHTDDGJCJNB-WMZOPIPTSA-N	406.452	5.025	30	20	HKED	
Cc1cccc2nc(C3CCN(C(=O)c4ccccc4-c4ccccc4C#N)CC3)oc12	444546308	JPTYTMYTGRINLQ-UHFFFAOYSA-N	421.500	5.695	30	20	HKED	
O=C(Nc1cnn(C(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444858703	XNHQSNRZCBWTNN-NSHDSACASA-N	416.272	5.112	30	20	HKED	
N#C[C@@H]1N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC[C@]12CCCCO2	448262760	ZRGUVEFPCDZXNM-DLBZAZTESA-N	406.370	5.151	30	20	HKED	
C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H]1c1csc(C)n1	460394234	MTSOJZHNRKZWAX-OAQYLSRUSA-N	418.570	5.119	30	20	HKED	
CC(=O)c1c[nH]c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1	464273901	DOUWIXZPDNBVLH-UHFFFAOYSA-N	413.355	5.152	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C	467104535	YJHKKKRNYDIRAE-UHFFFAOYSA-N	408.567	5.398	30	20	HKED	
CC(C)CCOc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1	467363758	FCXMYDNTNJLKNM-UHFFFAOYSA-N	407.514	5.058	30	20	HKED	
CC(C)c1ccc2c(c1)[C@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCO2	468847620	FAQOKTPYXJSECG-HSZRJFAPSA-N	417.553	5.719	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnnn1C1CCCCC1	469240727	LNPYNDMUGHUOQY-MSOLQXFVSA-N	400.530	5.129	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OC(C)(C)C)CC1	469702298	QIQGXQDFWXQACX-UHFFFAOYSA-N	407.514	5.470	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(-c2ccncc2)cc1	470001511	XKGKBGNRADQUAV-GOSISDBHSA-N	420.472	5.299	30	20	HKED	
COCCCC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1	471340722	JYVWOAZTGQPTNT-QHCPKHFHSA-N	415.493	5.033	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	472751550	LEFZSBGVJUAXSB-QZTJIDSGSA-N	416.550	5.883	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)coc12	473493348	VNFPTUSFWGDPHC-ZDUSSCGKSA-N	423.188	5.408	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c(Br)c1	481132755	AVKFSOWJARDCRZ-FQEVSTJZSA-N	412.718	5.248	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	481406300	JTUOXRFTEKZVNM-UHFFFAOYSA-N	420.557	5.541	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482328296	QIWYKWKDPXUXOS-GHMZBOCLSA-N	410.280	5.339	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)ccc21	483221550	RTXYTHPFQHHPPX-KRWDZBQOSA-N	422.410	5.674	30	20	HKED	
Cc1c(F)ccc(Cl)c1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	483977576	ODFGDLVCSCJWCR-NRFANRHFSA-N	408.860	5.361	30	20	HKED	
C=CCSc1ccccc1NC(=O)CNc1ccccc1NC(=O)c1cccs1	487360058	FLRQKYHBJLDKQQ-UHFFFAOYSA-N	423.563	5.329	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1cccc(F)c1F	490737340	WXDVRHJTTRJAEY-UHFFFAOYSA-N	407.420	5.301	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3sc4ccc(C#N)cc4c3C)cc2Cl)n[nH]1	497893567	DDMSFCNIYHUYKK-UHFFFAOYSA-N	407.886	5.081	30	20	HKED	
N#Cc1ccc(CN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C2CC2)cc1	499071954	DILYZRKZXYFTJR-UHFFFAOYSA-N	416.506	5.069	30	20	HKED	
COc1ccc(CN(CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@H]2C)cc1OC	499603694	RZJPKSQQVXOIBG-IRLDBZIGSA-N	414.590	5.185	30	20	HKED	
COc1cc(CNC2CCC(C#N)(c3ccccc3)CC2)ccc1OCC(F)(F)F	507654874	XPSYJJKICSFHFK-UHFFFAOYSA-N	418.459	5.130	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1	510720316	RXBSDSLACIFQKO-AWEZNQCLSA-N	406.511	5.272	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccccc2OC)n1)Cc1cccs1	510843533	WXZXUIBEHIYJBY-UHFFFAOYSA-N	413.568	5.086	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1Sc1nc(C)nc2sc(C)c(C)c12	513124837	XJDRKGLDUKKQAX-UHFFFAOYSA-N	407.568	5.136	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1	513740294	SSKDEDAUPXBGGN-YADARESESA-N	406.526	5.226	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1nc2c(s1)CCCC2	516072033	YMPIRSJXQNXWKJ-UHFFFAOYSA-N	412.946	5.002	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(C)Cc3cccc(C#N)c3)c(C)c2)n1	518224830	YDXSMTQTNCHCSW-UHFFFAOYSA-N	408.552	5.447	30	20	HKED	
C=CCc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc(OC)c1OC	520877594	MLCKBZMPNOQKQY-XZOQPEGZSA-N	401.506	5.005	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1	521428221	ZCUPYBKDGWSCPK-NBGIEHNGSA-N	419.569	6.096	30	20	HKED	
COc1cc([C@H](C)Nc2nc(C(F)(F)F)ccc2C#N)ccc1OC1CCCC1	522417542	ADPFYGVEZRJKID-ZDUSSCGKSA-N	405.420	5.475	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CCCc2ccccc2)cc1	522546837	HFLNZKXVOVQYLV-UHFFFAOYSA-N	413.521	5.022	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@H](C)Oc3ccc(C#N)cc3)cc2c1	523531741	VZWGHNKGZFHTDJ-SFHVURJKSA-N	414.461	5.202	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1	523622962	JMIIQIOVNCRVMR-CQSZACIVSA-N	424.501	5.178	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	524112327	UXLNDOCXRKKVLL-LSDHHAIUSA-N	406.473	5.774	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1	530553121	LJMYLGYNBKJRFX-UHFFFAOYSA-N	418.581	6.282	30	20	HKED	
Cc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C	532486472	YMGIACNMPMHVJW-HTAPYJJXSA-N	407.583	5.331	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12)C1CC1	532820615	VBTDYQNCOJVKJN-HNNXBMFYSA-N	404.445	5.322	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc(SCCCO)cc3)c2)c1	532892410	JIJCEZBMLVISCV-UHFFFAOYSA-N	404.535	5.224	30	20	HKED	
COc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1-c1ccccn1	533646627	DKHGPVWUNVRDKP-IBGZPJMESA-N	412.276	5.059	30	20	HKED	
COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1-c1ccccn1	534355214	ONYSVEASDMGUMW-CQSZACIVSA-N	403.507	5.067	30	20	HKED	
CC[C@](C)(C#N)NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	536073955	JWZCPMZPJOTVKP-XUUSCSPLSA-N	405.523	5.044	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC4CCCC4)nc3)n2)cc1	541944648	AVXVMSHNSOUXOK-LJQANCHMSA-N	419.506	5.025	30	20	HKED	
C[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc([N+](=O)[O-])cc1F	542551609	NOAPGALUNQXPOE-AWEZNQCLSA-N	405.385	5.140	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1	543827402	FATNWKATQLJMRZ-IBGZPJMESA-N	417.431	5.112	30	20	HKED	
CC[C@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCN1Cc1ccccc1	546834608	XDWZTUMSFKJBRK-FPOVZHCZSA-N	422.598	5.067	30	20	HKED	
N#CCC1CCN(c2nnc(-c3ccc4ccccc4c3)n2Cc2cccs2)CC1	555436419	PGYYFQHUPKSCBF-UHFFFAOYSA-N	413.550	5.338	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	567550054	SLADISVLDPOGRS-KRWDZBQOSA-N	416.481	5.415	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	577244497	VQYGKIAUCVPPSL-DYESRHJHSA-N	411.571	5.111	30	20	HKED	
C=C(C)CN1CCC(NC(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)CC1	592071254	QGFKZVQYLPLHHQ-DEOSSOPVSA-N	408.611	5.294	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)CC1	592302102	SNCPVOZFWGMECR-FQEVSTJZSA-N	411.512	5.132	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)o1	603950218	HYAYMGBZNWAMGW-UHFFFAOYSA-N	421.667	5.943	30	20	HKED	
Cc1cc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(Cl)c1	608784583	IKUHTDBCAUYIQY-UHFFFAOYSA-N	421.903	6.202	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H]1CCOc2ccccc21	609785158	LWJXTIFHKJGMHQ-OAQYLSRUSA-N	412.489	5.341	30	20	HKED	
C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1ccc(C#N)cc1	609813768	PBJIDVOHHKGTHG-HNNXBMFYSA-N	409.946	5.246	30	20	HKED	
C=CCN(CC=C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1	609815921	FLCYSTKSGGCJHS-UHFFFAOYSA-N	419.840	5.063	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2ccnc(Oc3ccccc3)c2)cc1C(F)(F)F	610330967	VGGQOGIIWIRVMK-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2cccnc2Oc2cccc(F)c2)c(Cl)c1	611093382	HRZOYZGGJJJHHG-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
N#C[C@@H](C(=O)c1sccc1Br)c1nc(-c2ccc(Cl)cc2)cs1	613319583	HZBFVTSPPYMRFE-NSHDSACASA-N	423.744	5.778	30	20	HKED	
Cc1nc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)sc1Cc1ccccc1F	618445211	JYPRKAIXMFMQNC-UHFFFAOYSA-N	420.296	5.612	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(C#N)c(Cl)c2)o1	619748641	KMHHYEHCFPVVNH-UHFFFAOYSA-N	402.885	5.256	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2o1	619753818	QEGQGJKJOBDRHD-IBGZPJMESA-N	404.429	5.171	30	20	HKED	
COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	620304091	ACGARRXWPSZRSL-MRXNPFEDSA-N	420.440	5.740	30	20	HKED	
C=CCN(C(=O)COCc1nc2ccccc2s1)c1nc(-c2ccccc2)cs1	620908273	NYIMDXPJXTZBMB-UHFFFAOYSA-N	421.547	5.156	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)N(C)C2CCCCC2)C(C)C)nnc1-c1ccccc1	637752112	FHKVVXCJRGXVEC-HXUWFJFHSA-N	412.603	5.039	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	682554508	VJKQGUYTKGVXQM-NSHDSACASA-N	404.301	5.535	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	727234208	ZEJKLWDQXUKAPO-DZGCQCFKSA-N	416.424	5.473	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	727842304	LWUQCENWRDSXOB-KRWDZBQOSA-N	419.456	5.081	30	20	HKED	
Cc1oc2c(CN(CCC#N)CC3CC3)c(O)ccc2c(=O)c1-c1ccccc1Cl	728904624	NIPXBIACZCXYKE-UHFFFAOYSA-N	422.912	5.253	30	20	HKED	
C[C@@H]1CCCC[C@H]1NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N	730955211	UVICBJDWVQHQFR-TZMCWYRMSA-N	401.523	5.576	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C\c2cccc(OC3CCCC3)c2)c1	733775456	VWEUEUDJDURNTK-HJBMFWNLSA-N	404.510	5.019	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2Oc2ccccc2)c1	733801377	HJAWBNNGKNAPFU-OAQYLSRUSA-N	415.493	5.159	30	20	HKED	
CC(C)c1ccc(C=NOCc2nc(-c3ccc(Br)s3)no2)cc1	733998485	ZNYSMSFSDYINJF-UHFFFAOYSA-N	406.305	5.235	30	20	HKED	
CC(C)Cc1ccc(-c2csc(NC(=O)c3ccccc3SCC#N)n2)cc1	734437691	JVYZWNXKSWGMJW-UHFFFAOYSA-N	407.564	5.877	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	735001198	URGWROWFIAGOST-UHFFFAOYSA-N	421.840	5.435	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3[nH]c4ccc(F)cc4c3Cl)c2)s1	739748518	AYERABAZUBIRJD-UHFFFAOYSA-N	409.873	5.491	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1ccccc1Cl	743093454	VJLVYORCHWOJIX-LAUBAEHRSA-N	419.912	5.584	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc2c(c1)COC2	743429304	JPWRGUKUTLKEOO-UHFFFAOYSA-N	404.470	5.364	30	20	HKED	
COc1ccc(Cl)cc1NCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	743856037	SOEHHGOIVMRSIS-NRFANRHFSA-N	419.912	5.445	30	20	HKED	
C=CCCO[C@H](C)C(=O)O[C@@H](C)c1sc(-c2ccccc2Br)nc1C	744319291	DUDUUYXCRYEWOU-UONOGXRCSA-N	424.360	5.466	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)ccc1OC(C)C	747827994	PVLZVZFHDUZQTO-CQSZACIVSA-N	415.877	5.298	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC1CCC(C#N)CC1	755974752	LSNKLOLHGLDSJY-FHERZECASA-N	418.946	5.490	30	20	HKED	
C#CC[C@H](NC(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C)c1ccccc1	757029760	CKUHLPFLVCJPHL-UTKZUKDTSA-N	419.550	5.252	30	20	HKED	
C[C@H](OC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)Nc1ccccc1C(F)(F)F	761251628	DHUMJDZKVWWLED-VIFPVBQESA-N	423.284	5.047	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c(Cl)c([N+](=O)[O-])c1	764309722	FNEDTXGULXILKW-UHFFFAOYSA-N	413.767	5.317	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc(Br)cc1F	767735267	ASXFKQBCONIPFY-YFHOEESVSA-N	412.258	5.458	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC=C(c3cccc(C)c3)CC2)c1=S	770661645	WKJMPQVDKNPBAJ-UHFFFAOYSA-N	417.582	5.107	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cc1	772237849	NYWDCXTZULRVST-VWLOTQADSA-N	422.488	5.564	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(Cl)cc2Cl)ccc1OC	772984309	DENSPKUMMHATIR-VQIMIIECSA-N	407.341	5.924	30	20	HKED	
COc1cc(C=NOCc2nc(-c3ccccc3Cl)cs2)ccc1OC(F)F	774720495	YKDQWBJLFHHMAF-UHFFFAOYSA-N	424.856	5.624	30	20	HKED	
CCCCCCCC[C@H](C)CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1	774822276	CSEYIHXMEDJRDY-FCHUYYIVSA-N	404.639	5.404	30	20	HKED	
C[C@H](N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(OCC#N)cc1	779082801	RDDOMFLTNBXOSM-SBUREZEXSA-N	421.541	5.664	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1ccccc1OCC#N	784107646	QJUIACAFRSQXLZ-UHFFFAOYSA-N	417.465	5.566	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCn1c(S)nnc1-c1ccc(C)cc1	789890435	RCKVLXGWWYDFHJ-UHFFFAOYSA-N	420.582	5.423	30	20	HKED	
CC(C)(CCC#N)COC(=O)c1ccc(Oc2ccc(Br)cc2)nc1	798878804	LEQPHCSSWJCZJB-UHFFFAOYSA-N	403.276	5.123	30	20	HKED	
CSc1cc(Br)ccc1/C=C1\C[C@H](C(=O)O)c2ccccc2C1=O	806561974	FISKTPGPRCKHBF-RCLKMUNOSA-N	403.297	5.009	30	20	HKED	
C#C[C@@H](NC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C)c1ccc(F)cc1	812939161	UUQGFWYBGXNXEF-OXJNMPFZSA-N	407.514	5.335	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)CCc2nnc(-c3ccsc3)o2)cc1	904229428	ZCYLUPHDRHDKNL-UHFFFAOYSA-N	415.474	5.013	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1	915190625	CUMXHFNJDRIJJL-XMMPIXPASA-N	400.503	5.071	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917043312	JUEBILXZPFODOT-IUODEOHRSA-N	420.481	5.813	30	20	HKED	
C=CCOc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC	917644855	NRYIKHPTFXOSAZ-NPQOUYBPSA-N	411.548	5.222	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2-c2ccccc2)c1	920065458	SDAZWRKIQLXSDI-KHPPLWFESA-N	400.265	5.034	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1	920108919	KZMDCKLUUZIKJO-LIRRHRJNSA-N	402.416	5.109	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)C(C)C	1793207142	PFPMRKBBGFMARR-KAOXLYBCSA-N	410.602	5.057	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)[nH]n1	1814829430	QLCIRTMSLUNCQB-FQEVSTJZSA-N	412.578	5.163	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)c1	14872261	BOVJJOGYHDINMV-UHFFFAOYSA-O	417.598	5.885	30	20	HKED	
Cc1ccc(C)c(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccccc2Cl)c1	15235301	JKHWJLRUZGUMBV-KRWDZBQOSA-N	421.957	5.740	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(CC)CC)cc1	22798158	LGKCSVLNRCVSDW-UHFFFAOYSA-O	421.630	5.471	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C/c2c(-c3ccccc3)nc3ccccn23)S1	26395089	WAMXPJMXMVPVJS-HKWRFOASSA-N	424.529	5.510	30	20	HKED	
Cc1cc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc12	46581599	RUDWAWSQKMRNSR-GOSISDBHSA-N	415.543	5.635	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1	58439742	HCCLBVMRURWZSN-INIZCTEOSA-N	419.456	5.168	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(OC(F)F)c1	60976555	PWBAGOFAFRHPII-KRWDZBQOSA-N	408.448	5.589	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	97076850	BGQWJNIMGNEBAF-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
C=CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1	97364864	QFVYJXADCLEHPU-UHFFFAOYSA-N	400.507	5.137	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2ccco2)nc1C	97542511	SYDVCTSHKIIYAU-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)cs1	115762406	JWKNDQWROMKOAP-UHFFFAOYSA-N	423.563	5.655	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(CC)ccc23)nnc1-c1ccccc1F	195569271	ACZHKDHLUZAKRV-UHFFFAOYSA-N	421.497	5.231	30	20	HKED	
C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc(NC(=O)c2ccccc2)c1	237502098	SFFDLILLWDRCCW-HXUWFJFHSA-N	412.537	5.140	30	20	HKED	
N#CCCCOc1cccc(NCc2cccc(NC(=O)c3ccccc3Cl)c2)c1	237861162	GBYKCEGAZMNIRS-UHFFFAOYSA-N	419.912	5.887	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	247745510	PKQZYWGCRUCJFM-INIZCTEOSA-N	401.318	5.926	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21	302051690	FTPBZPOJSXAOCP-LJQANCHMSA-N	402.544	5.676	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNc2nn3cc(-c4cccnc4)nc3s2)cc1	302065375	APTPTOUIWHXREU-UHFFFAOYSA-N	408.490	5.004	30	20	HKED	
Cc1ccc(C[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c2ccccn2)cc1	302690889	VFJFQIGFZJTVKD-HSZRJFAPSA-N	409.449	5.114	30	20	HKED	
CCOc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	303193889	MVRVELYKFNUKNR-UHFFFAOYSA-N	400.478	5.107	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1	303302642	CZBIROXYUJGZKN-AWEZNQCLSA-N	422.381	5.316	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1cccc(OC)c1	303416376	WPCCLBNRTVRAIA-ROUUACIJSA-N	411.571	5.111	30	20	HKED	
CC(C)[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1	303590317	HJJGZSHHZXHLGY-XMMPIXPASA-N	424.504	5.141	30	20	HKED	
Cc1cccc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C	303687942	LWYFXAQLLSJKEX-HNNXBMFYSA-N	423.567	5.202	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1c[nH]c2c(C)cccc12	303820476	DUIMWDMLODTAJY-UHFFFAOYSA-N	423.516	5.807	30	20	HKED	
Cc1cccc(Cc2cnc(NC(=O)c3c(F)cc(C#N)cc3F)s2)c1Cl	426879058	ODDQJHUIAWREMA-UHFFFAOYSA-N	403.841	5.098	30	20	HKED	
N#Cc1c(F)cccc1CN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl	427409892	XXFRTVQIYCRNHT-HSZRJFAPSA-N	408.860	5.001	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)ccc1OC1CCCC1)c1ccc(C(F)(F)F)cn1	429341732	RAEOQTXTOPNZAM-INIZCTEOSA-N	408.807	5.565	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)CN[C@H](CCCC#N)c3ccccc3)n2)cc1	433040166	RJZDEMYIDWYRPI-HXUWFJFHSA-N	404.539	5.082	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1C#N	435544973	HJQKEUWBESTRFC-IBGZPJMESA-N	423.904	5.244	30	20	HKED	
N#CCCCOc1cccc(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)c1	436052788	DDXMXXCBIUAMCW-UHFFFAOYSA-N	402.416	5.349	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2C)c1	437813215	ZWBKZCBBZRPACX-JTHBVZDNSA-N	413.525	5.101	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC(c2ccc(F)c(Cl)c2)C1	439516109	QGECQQGVTJAQDV-IUDNXUCKSA-N	417.937	5.941	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)cc1	441029531	FURKVKYHTCRBTJ-UHFFFAOYSA-N	421.566	5.241	30	20	HKED	
Cc1nc(-c2ccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cc2)cs1	441063109	JAJNEVWZSMUARZ-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)Cc2nnc(-c3ccc(C#N)cc3)o2)s1	441230813	JZZQHKFYADIWLY-UHFFFAOYSA-N	414.534	5.223	30	20	HKED	
C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OCc2ccccc2)c1	444713820	BVMPIJCOKTXCLR-GOSISDBHSA-N	410.477	5.038	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	444972173	BAXOSNSRMXKNPX-LBPRGKRZSA-N	400.891	5.508	30	20	HKED	
COc1cccc([C@@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2Cl)c1	446040213	WHGWQKXAALCIGL-OAQYLSRUSA-N	412.823	5.018	30	20	HKED	
Cc1sc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nc1C(C)C	447482593	ZZDRHMQPFGMXIY-UHFFFAOYSA-N	405.523	5.207	30	20	HKED	
Cc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1-c1ccccc1	460261128	QIBYUTALWSQBNJ-UHFFFAOYSA-N	411.505	5.609	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cccc(C(F)(F)F)c1	460547858	BAUSYFDGYXQZPY-MRXNPFEDSA-N	415.463	5.056	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)[C@H](C)c3cccc(C#N)c3)cc2)cc1	462057527	GLERLVGPAQKUPD-GOSISDBHSA-N	400.478	5.282	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	464406409	DPDIXVZWASFCMG-LJQANCHMSA-N	412.436	5.883	30	20	HKED	
CCO[C@@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1=CCCC1	465025588	IIBTYGPJEKZIGV-DEOSSOPVSA-N	404.510	5.176	30	20	HKED	
CC(C)CO[C@H](C)c1noc(CSCc2ccc(-c3ccccc3C#N)cc2)n1	467556189	XKRHKXAMGFNALN-QGZVFWFLSA-N	407.539	5.775	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	469943994	KVYXLCSHVWKVRR-UHFFFAOYSA-N	423.476	5.268	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1	470533766	MAMQZBXCVOQELV-UHFFFAOYSA-N	415.478	5.043	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2)n1	471375619	ZRTPYAIEPLQPNQ-CYBMUJFWSA-N	423.731	5.077	30	20	HKED	
CC(C)(C)c1ncsc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	473716891	PKSIIIMQHBCDPD-UHFFFAOYSA-N	409.486	5.283	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)C[C@@H](CC#N)c3ccccc3)c2)cc1	475254323	PKZFSYWNRSDSRY-HSZRJFAPSA-N	414.505	5.438	30	20	HKED	
N#CCSc1cccc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c1	475722969	VDRCUSWHIIMGDN-UHFFFAOYSA-N	405.504	5.102	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)NCCc1cccc(Cl)c1Cl	476370202	PVGIVERMEJUREP-CQSZACIVSA-N	422.381	5.158	30	20	HKED	
C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)c(Cl)c1	476791484	NRDZYRDTVNQXHO-NNGSBXSVSA-N	415.896	5.101	30	20	HKED	
C[C@H]1CCN(c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccn2)C1	478091322	VQRWDKWPCFBLJH-KBXCAEBGSA-N	422.941	5.195	30	20	HKED	
CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N)CCC2	478782516	BDWVKENOUFTUMH-PBHICJAKSA-N	414.600	5.499	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]1c1ccccc1	480388164	XQGUFNCNMSRDOG-KBMIEXCESA-N	411.505	5.557	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nnc(/C=C/c2ccco2)s1	480946422	CGBBGNIRVJKYFK-VMPITWQZSA-N	406.920	5.237	30	20	HKED	
CCc1ccc([C@H]2CN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CCO2)cc1	484149034	WBMFIBBSQNKKAQ-DYESRHJHSA-N	409.555	5.249	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	485478049	SBHPYDZYEWUQLF-MUUNZHRXSA-N	407.560	5.525	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(NC(=O)c2cccnc2)c(OC)c1)c1ccccc1	488686895	PHOBQNJNDCKKKA-NRFANRHFSA-N	415.493	5.031	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1	490141696	GZIITIDCIRTQMC-UHFFFAOYSA-N	417.896	5.870	30	20	HKED	
Cc1c(NCc2cc(C#N)ccc2Br)cccc1C(=O)Nc1ccccc1	492720715	HXQOWLXXUDMOSV-UHFFFAOYSA-N	420.310	5.494	30	20	HKED	
CCC[C@@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496317070	ZXBBUIQAYARTNV-GFCCVEGCSA-N	410.465	5.277	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	497834396	RESOOFWMGMGDCT-INIZCTEOSA-N	420.509	5.489	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c2)n1	499781974	PBFZFUDEFYRSER-UHFFFAOYSA-N	412.518	5.401	30	20	HKED	
O=C(NCC#Cc1ccccc1)c1oc2ccccc2c1CSc1cccs1	502421367	CJLOVDWQMVQYHU-UHFFFAOYSA-N	403.528	5.568	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cccc(OCc4cccs4)c3)CC2)cc1	503973083	OMEOPWCRKUZWNN-UHFFFAOYSA-N	400.503	5.128	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1	505355891	OCSUNNCKMGZDGX-WAIKUNEKSA-N	406.432	5.028	30	20	HKED	
CC(C)(C)n1cc(C(=O)N[C@@H](C#N)c2ccccc2F)c(-c2ccccc2Cl)n1	505944997	XRLWRFLBRVJRMY-IBGZPJMESA-N	410.880	5.092	30	20	HKED	
COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)cc1	506634622	IYJLMBUXYCRZKR-HXUWFJFHSA-N	413.477	5.381	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1	507832311	ZQDJTQLLZAVGBH-CQSZACIVSA-N	423.419	5.076	30	20	HKED	
COc1ccc(C2(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)CCC2)cc1	508564112	ABDNUOYKQYNGGA-UHFFFAOYSA-N	412.489	5.206	30	20	HKED	
C=CCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1	508934873	LHXLIPOVWQHTRK-OAHLLOKOSA-N	423.542	5.068	30	20	HKED	
N#CCCn1cc(CNc2ccc(-c3ccc(Cl)s3)nc2)c(-c2ccncc2)n1	509046214	NOPIEHCDEOOXKW-UHFFFAOYSA-N	420.929	5.248	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1	509609624	SCFAVMAURGGJJB-UHFFFAOYSA-N	411.914	5.304	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2F)C2CC2)cc1	510662242	CRJZRTUYAKCBGP-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
N#CC1(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)CCCCC1	514740632	IMOPZDQBYQAKRO-UHFFFAOYSA-N	404.535	5.822	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c2ccccc12	515250678	ZZFNBPSQQVYJEC-SJORKVTESA-N	421.541	5.662	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CSc2ccccn2)c1	517883477	CUPFDWNFSPOCKT-UHFFFAOYSA-N	414.534	5.466	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cs1)c1nc(-c2ccc(Cl)cc2)cs1	520076529	RKMSYKMMOIYCMR-LBPRGKRZSA-N	423.744	5.778	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCSc4c(F)cccc43)c2)c1	522305167	XJSJOKOXABDNJH-QFIPXVFZSA-N	418.493	5.243	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NC2CCC(c3ccccc3)CC2)c1	523223133	LWLNHWGXTAPACE-UHFFFAOYSA-N	400.478	5.186	30	20	HKED	
COc1ccc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc1C#N	525109662	IZLWEGKVPKMTDH-SDQBBNPISA-N	418.396	5.211	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c1	525136451	UTFWCXAFRXHFEB-UHFFFAOYSA-N	404.297	5.492	30	20	HKED	
CSc1cccc([C@@H](NC(=O)Cc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1	530915403	YAWCKEZMXFCJHI-HSZRJFAPSA-N	408.473	5.007	30	20	HKED	
CC(C)(C#N)CCCNc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	531649004	VHEIWFIUUPXTLG-UHFFFAOYSA-N	407.411	5.839	30	20	HKED	
CCn1cnnc1-c1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1	532728470	BXMFKFQVCAQXMZ-UHFFFAOYSA-N	409.493	5.028	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@](C)(C#N)CC(C)C	536079825	MPPNGPYPZGCPQI-FQEVSTJZSA-N	421.925	5.160	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3coc(-c4ccccc4Cl)n3)n2)cc1	540684785	OICVVBDKXAQBDO-INIZCTEOSA-N	419.893	5.917	30	20	HKED	
CC1(C#N)CCN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)CC1	544846667	DZAWMFDZHUMVIO-UHFFFAOYSA-N	416.216	5.285	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3ccccc3Cn3cccn3)no2)c2ccccc21	546286853	GGGUJMJSDNBKGT-QXMHVHEDSA-N	420.476	5.020	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc3cccc(F)c3c2C)c1C	557529703	DITDTTSPIJPYSL-UHFFFAOYSA-N	404.470	5.275	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(SCc2ccccc2)cc1	557535096	KLCXKYCKRULGNT-UHFFFAOYSA-N	404.560	6.237	30	20	HKED	
CCOCCOCc1cccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1C	560097840	UYACHLLWCZSESY-UHFFFAOYSA-N	408.523	5.195	30	20	HKED	
Cc1ccc2oc(CN(CCC(=O)Nc3ccccc3C#N)Cc3ccco3)cc2c1	566590226	OLWLPZFPCNFFNX-UHFFFAOYSA-N	413.477	5.237	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1	589382985	SGCGMGJQNPMUGM-UHFFFAOYSA-N	400.478	5.455	30	20	HKED	
C=CCn1c(SCCCCCn2cc(C)cn2)nnc1-c1ccc(Cl)cc1	599458398	KOSROSKCPLPFEQ-UHFFFAOYSA-N	401.967	5.252	30	20	HKED	
C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(=O)c1ccccc1	602101501	RHOLELULNRJYJN-IBGZPJMESA-N	414.480	5.135	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1	603502583	DHXCVNBPTRJZEY-HSZRJFAPSA-N	414.530	5.064	30	20	HKED	
C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603766910	ZRSSLUYHTMLBQG-BEFAXECRSA-N	408.860	5.541	30	20	HKED	
COc1ccc(COCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	603785155	WJGPSKPRHANQGI-JOCHJYFZSA-N	420.896	5.159	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCn2cnc3ccccc32)cc1	604254793	QVOVJRUQROGDCI-UHFFFAOYSA-N	424.504	5.100	30	20	HKED	
CCN(C/C=C\CN(CC)[C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1	604271990	IAFZYZMMJXCWFG-CWMOEDQGSA-N	400.570	5.452	30	20	HKED	
C=CCCCCCN(C)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C	606925194	XHYDVETWABBTGR-KRWDZBQOSA-N	401.576	5.576	30	20	HKED	
Cc1ccccc1-c1csc(NC(=O)c2occc2COc2cccc(C#N)c2)n1	608803982	HYGVARDZMBHDBL-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)sc1-c1ccc(F)cc1	608811574	GGQYKOYJZPVXED-UHFFFAOYSA-N	419.525	5.087	30	20	HKED	
CCOCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	608818671	BMQKZEDQHJHHBC-UHFFFAOYSA-N	402.519	5.639	30	20	HKED	
CCCN(C(=O)NCc1ccc(C#N)cc1F)[C@@H](C)c1ccc(Cl)c(Cl)c1	609254418	NDTOFZVPDDWQOM-ZDUSSCGKSA-N	408.304	5.687	30	20	HKED	
CCOC(=O)c1sc(NC(=O)[C@H](CC)Oc2ccccc2C(C)C)c(C#N)c1C	609261297	KUXLWHVNFZLQFJ-KRWDZBQOSA-N	414.527	5.024	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SCCC#N)s2)c(C)c1	609376014	WNVGHHBKLBOODJ-UHFFFAOYSA-N	407.564	5.993	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](CC)c1ccccc1	609403906	JUJDHYXPGGAEQF-NQIIRXRSSA-N	423.582	5.267	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3S[C@H](C)CC#N)o2)cc1	609428204	DREXFPGUVAFZNN-QGZVFWFLSA-N	405.523	5.616	30	20	HKED	
COCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H](C)c1ccccc1	609434052	ZWRGMFMWQGHTGG-IBGZPJMESA-N	415.493	5.592	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CCCCOc1cccc(C#N)c1	609502240	RSIHOOFOLZVPGY-KRWDZBQOSA-N	419.550	5.417	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CSc2ccccc21	609815293	YJXSWBDDYWRQTR-OAQYLSRUSA-N	402.494	5.429	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](C)c1cccc(O)c1	609844765	SBXUZHNIRHUIGE-QGZVFWFLSA-N	401.466	5.671	30	20	HKED	
N#CC1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1	610196883	JTPDLFLSTYJPFD-UHFFFAOYSA-N	405.350	5.661	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H]3c3cccc(F)c3)cc2F)c1	611049186	KYRYJIFGMLZOMT-QFIPXVFZSA-N	419.431	5.394	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	614929034	WLMDAUZLDWPGFW-INIZCTEOSA-N	409.839	5.848	30	20	HKED	
N#Cc1ccc(CSCc2nc(O)c3c(-c4ccco4)csc3n2)c(Cl)c1	615161159	WZFXBAYYLNZSGX-UHFFFAOYSA-N	413.911	5.615	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccnc2)nc2cc(-c3ccccc3)sc2c1=O	618427960	KGWWYSNUHWPSDZ-HNNXBMFYSA-N	405.548	5.559	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1cccc(C#N)c1	619529952	HZWFRKXUWPAARY-BFUOFWGJSA-N	416.294	5.068	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2c1	676998758	CVVJUZRHTQPAFY-QGZVFWFLSA-N	417.465	5.360	30	20	HKED	
Cc1nc2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)ccc2n1-c1ccccc1	679536538	NFJNPLZEYRWDNM-OAQYLSRUSA-N	402.457	5.372	30	20	HKED	
CC(C)Cn1ccc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cccc21	683689820	OWIOZYFTJFAVST-QGZVFWFLSA-N	406.436	5.532	30	20	HKED	
N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1	726802279	ZOJOFRMBOVFJMT-AQTBWJFISA-N	414.939	5.428	30	20	HKED	
Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c(C)n1[C@@H](C)c1ccccc1	726958270	UCWDNNKXXMEQSV-SFHVURJKSA-N	402.498	5.044	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	727627887	IVDHZDLTQJQKRI-CQSZACIVSA-N	423.341	5.139	30	20	HKED	
CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728667891	FNQPPDKYNNEPGR-QGZVFWFLSA-N	414.461	5.097	30	20	HKED	
CCc1cc(NN=C(C)c2csc(-c3csc(C)n3)c2)nc(-c2ccccn2)n1	730463781	PYQUQRNPSRTRIC-UHFFFAOYSA-N	420.567	5.431	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)s1	730590631	WTGHNCWZYVNIKQ-PLNGDYQASA-N	420.309	5.228	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1sc(N2CCCC2)nc1Cl	731332027	AYTOQNJNGGZHTA-GFCCVEGCSA-N	406.964	5.043	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccncc1	734657070	WKDSITQTPSGWKK-QGZVFWFLSA-N	404.495	5.068	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)s4)n3)[nH]c12	735789190	KONOGCIQQUVMDA-LBPRGKRZSA-N	412.927	5.129	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3ccccc3F)oc2C)cc1	739153245	AAFMCMFAGVTEIP-IBGZPJMESA-N	419.456	5.093	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3cc(Br)ccc3F)c2)s1	740012128	XGODTFVKEYFLEG-UHFFFAOYSA-N	401.304	5.478	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc2ccc(SC)cc2)cc1	741111467	PDYVJUWXHICQOC-CKJXQJPGSA-N	410.539	5.037	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3OC)cc2)cs1	741469981	OALIQWHWYLPVFQ-BUHFOSPRSA-N	406.507	5.088	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)c1	742623662	KHPZOUOWOCKCFZ-UHFFFAOYSA-N	408.376	5.005	30	20	HKED	
N#Cc1cc(NC(=O)c2cccnc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1	742784611	HBPIKJBXJSROPP-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1cccc(Cl)c1	745723950	GQKDBUUYXADBMV-UHFFFAOYSA-N	409.917	6.063	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1	747358824	JMJNXXPNLHEOIE-DQEYMECFSA-N	413.496	5.084	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	748296448	MJBZTNWKNBSROW-UHFFFAOYSA-N	403.463	5.140	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1	752484199	FHCUDXGYDOXFLE-RUZDIDTESA-N	410.521	5.005	30	20	HKED	
C[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F	754110354	VRPYXCTWKPDUCE-QVKFZJNVSA-N	403.413	5.132	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1	754887909	QYUSWAOKESSESZ-HFMPRLQTSA-N	416.569	5.039	30	20	HKED	
CCCCCCCCNC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1	755147543	PTFLRBHWDUOLLK-UHFFFAOYSA-N	424.585	5.177	30	20	HKED	
N#C[C@H](C(=O)CCCc1cc(Cl)sc1Cl)C(=O)Nc1ccccc1Cl	756234576	WPJYXYMQSINIFS-LLVKDONJSA-N	415.729	5.379	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C/c2ccc(Br)c(Br)c2)cc1	757529326	LOCXLEGBFBZRBV-KRXBUXKQSA-N	421.088	5.010	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CC#N)cc1	758493719	RLISOWRFUBQXGE-UHFFFAOYSA-N	419.403	5.371	30	20	HKED	
C[C@@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@H](c2ccsc2)O1	759754160	FGEYPPPPMPNAKT-FOIQADDNSA-N	423.563	5.020	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Br)cc2F)ccc1OC(F)F	767736846	QXZNIMMYZUFOHZ-KXFIGUGUSA-N	401.178	5.094	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](C3CCCCC3)C2=O)cc1Cl	771820113	QWXBMRIETQPRSS-TZIWHRDSSA-N	407.901	5.001	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)N(C)Cc4ccc(C#N)cc4)cc3C2)cc1	772585015	GJQALQPZPNUZOI-UHFFFAOYSA-N	424.548	5.866	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(OC)cc1	776081751	PVABYHSEKMBKKZ-JKSUJKDBSA-N	418.440	5.694	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1	780674981	KWMVRCUINNCQJR-HUUCEWRRSA-N	417.431	5.754	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1	787666488	VWSNZKNEXCPVFF-QFIPXVFZSA-N	411.545	5.524	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1	788572903	VHJBZDHFSNAKIX-HFZDXXHNSA-N	424.548	5.380	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nccc2ccccc12	792095555	LQKMCTHWRUJLBI-CPJSRVTESA-N	414.411	5.510	30	20	HKED	
C[C@]12CCN(C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]1C2(F)F	794549313	VWHZYQHMBKIPAH-MQGHRYHHSA-N	413.308	5.241	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1	794897364	JHIKRTKDCCRMLA-UHFFFAOYSA-N	400.301	5.112	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1	796747305	XUJPRRVHJAKJCD-KSSFIOAISA-N	415.333	5.940	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)c1	802721243	RGNIBWLDAHCDBS-HMHBSYAJSA-N	424.013	5.222	30	20	HKED	
CCN(C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)[C@@H](C)c1ccc(C#N)cc1	810438364	TZGUHRPVABPBKX-HNNXBMFYSA-N	413.543	5.214	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1csc(-c2cc(F)ccc2F)n1	810535621	KLHQYYPHJWGNPP-CQSZACIVSA-N	423.444	5.384	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)n1	810606153	SLKHTUXGEKSRRY-LBPRGKRZSA-N	405.545	5.189	30	20	HKED	
CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1	904761051	DKMOVWFDBFHNRM-UHFFFAOYSA-N	420.469	5.160	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1	915102357	XXFWRIHOISVEJG-KBXCAEBGSA-N	423.519	5.384	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	915351441	BYUHKQLXSBTFIH-QFIPXVFZSA-N	415.493	5.023	30	20	HKED	
CCN(CC)c1ccc(N(Cc2cccs2)C(=S)Nc2ccccc2C#N)cc1	915996963	FCDZNKFUKGMHOJ-UHFFFAOYSA-N	420.607	5.870	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4cccc5ccccc45)cc3c2C1	916917548	HOCOQYIAWFYLBC-KSFYIVLOSA-N	421.500	5.407	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)n1Cc1ccccc1	918566662	XTVJZHJFOQFMLQ-HHHXNRCGSA-N	419.528	6.061	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1	920267718	IYUAZEBQAWQKBE-LPHOPBHVSA-N	405.523	5.281	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3)cc2)CCC1	1787774847	QDEFGDWGUANRTD-GOSISDBHSA-N	408.567	5.125	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1	1789456889	YPGZTDOJABFMGG-GOSISDBHSA-N	412.917	5.449	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)C(C)C)C2	1792567641	PYWYWBFXJLMXPC-BJESRGMDSA-N	410.602	5.057	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CC)c3ccccc3)C2)CC1	1809005607	BNMHEMCYXNXDQP-XMMPIXPASA-N	422.613	5.180	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1	1832610008	REAJQXUIPJSXHC-XMSQKQJNSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1cccc(C)c1	10241124	TYAUSKUKNKWSJA-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(C#N)cc4)nc(O)c23)s1	18065270	KPJHBQRYHDORDV-NVNXTCNLSA-N	409.923	6.042	30	20	HKED	
C[C@@H](OC(=O)CSc1cccc2cccc(Cl)c12)C(=O)Nc1ccccc1C#N	21458116	YCGUIBLEKNZTPD-CQSZACIVSA-N	424.909	5.027	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n1	21515055	OXVWFAKDDUERNN-JTQLQIEISA-N	424.473	5.049	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)n1	22360853	WXZUKLHHUUIFAB-GOSISDBHSA-N	401.535	5.280	30	20	HKED	
C[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1	26126575	ZYBNWLQZHLYVDM-CYBMUJFWSA-N	415.440	5.120	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1	41517891	HRPKGCKHNANZAT-OAHLLOKOSA-N	403.385	5.148	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@H](C)c2cc3ccccc3o2)cc1	65450654	XGLCSTFGUUDMPQ-QGZVFWFLSA-N	405.498	5.354	30	20	HKED	
COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCCC#N)c1	215254655	QUASTWLRWZQOPM-STZFKDTASA-N	405.523	5.209	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(-n2cccn2)c1	237600053	HKUHOAGVHVDVJO-FQEVSTJZSA-N	408.505	5.174	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	303416020	WLTNEOKWDRHSHK-ZIAGYGMSSA-N	407.461	5.840	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)o1	409546241	CHQWEVBSBKDOTM-UHFFFAOYSA-N	401.466	5.337	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[C@@H]1CCCC[C@H]1O	431541559	AQYMGGBFRNUAGT-WMZHIEFXSA-N	407.514	5.112	30	20	HKED	
CCC(CC)n1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1	432650194	ZTHKDWVJQNUABM-UHFFFAOYSA-N	402.498	5.142	30	20	HKED	
N#C[C@@H]1CN(C(=O)Nc2ccccc2OCCc2ccccc2)C[C@H]1c1ccccc1	432703093	KRLJNOHVJNQAOP-PKTZIBPZSA-N	411.505	5.079	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1	434014192	FIXAQWJZCYWNES-CQSZACIVSA-N	404.495	5.261	30	20	HKED	
CCOc1ccc(-n2c(SCCCCC(C)(C)C#N)nnc2-c2ccncc2)cc1	436136725	SZAZQRPQCJPFFN-UHFFFAOYSA-N	421.570	5.540	30	20	HKED	
Fc1cc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc(F)c1F	436398301	DKVXRIXDRSSNAG-AWEZNQCLSA-N	401.272	5.906	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C#N)cc1Cl	438890832	QRZFBXMZIGGTHQ-UHFFFAOYSA-N	410.930	5.169	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)Oc1cccc(F)c1	440365344	JAKVZWRIMMYPEC-RDJZCZTQSA-N	401.507	5.057	30	20	HKED	
Cc1ccnc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)n1	441087993	IEDQIEQBTIFJHG-UHFFFAOYSA-N	415.497	5.139	30	20	HKED	
CN(C)CCCN(CCC#N)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1	444390828	XGSRVHBJHOITPT-UHFFFAOYSA-N	416.978	5.190	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	444932139	KJYRBRQPYRGBFO-GFCCVEGCSA-N	400.891	5.365	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)Cc1ccc(Br)cc1	446774736	GWNXXPSWNVHAQV-UHFFFAOYSA-N	408.361	5.243	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)C[C@@H](C)c2c[nH]c3ccccc23)c1C#N	447130141	XSYMSEFHCKVZDW-OAHLLOKOSA-N	415.522	5.079	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1	463608583	CECCKUTYMLMYIW-OAQYLSRUSA-N	422.531	5.390	30	20	HKED	
N#C[C@H](C(=O)c1ccc2cc(Br)ccc2c1)c1cc(C(F)(F)F)ccn1	464415838	BRTRFSJIEZOUJA-INIZCTEOSA-N	419.200	5.506	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)cc1F	464975201	WLLVQVRBHPWYGS-HNNXBMFYSA-N	408.473	5.521	30	20	HKED	
N#CCc1ccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1	468555477	QEBWBPIKXZZMLT-UHFFFAOYSA-N	415.280	5.071	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H](c1ccccc1)N(C)C	471141940	ZVHYWJUVWNMXCE-KOSHJBKYSA-N	415.562	5.131	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cc2cccc(F)c2o1	475069870	RYKGJTHLUDLUEU-AWEZNQCLSA-N	401.397	5.122	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1	475561596	BZDIUDDOJLWHEA-INIZCTEOSA-N	422.504	5.919	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1OC	477733448	DQISFZZEHKGCOG-UHFFFAOYSA-N	422.481	5.183	30	20	HKED	
COc1cc(OC2CC2)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	482564145	XXWBCAAEGMWIPW-SFHVURJKSA-N	424.909	5.503	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nccc2ccccc12	483234338	VMQHESWUGZOPAA-MRXNPFEDSA-N	411.511	6.063	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nnc(SCc2cccs2)s1	486487709	BPAVNTSBZOUEIB-UHFFFAOYSA-N	405.595	5.422	30	20	HKED	
CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	490924993	WYKVGOWLEBFJQR-OAQYLSRUSA-N	404.514	5.243	30	20	HKED	
N#Cc1ccc(Br)c(C[S@@](=O)Cc2c(Cl)cccc2Cl)c1	491613660	UAFNDRZHNDZLBE-OAQYLSRUSA-N	403.128	5.076	30	20	HKED	
C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	492334718	PNKMBQSSKAGXQG-JTQLQIEISA-N	423.334	5.011	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCCCCC1	497705640	SXSLPXNWKDIACA-UHFFFAOYSA-N	418.585	5.054	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	499331535	SLWFUBYJNVGYIQ-UHFFFAOYSA-N	416.333	5.673	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCSc3ccccc3F)c2)cc1	501454702	YXXXVDBSBZQLTI-UHFFFAOYSA-N	420.509	5.592	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCCC[C@H]3OC(F)F)c2)cc1	503121594	NSLKQKLSDSEUPQ-RTBURBONSA-N	401.413	5.022	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cnc(-c4ccco4)s3)c2)cc1	504347875	UHZNXTKNOAAZAX-UHFFFAOYSA-N	415.474	5.300	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	506321541	QMBPMXNRJRKSLN-QFIPXVFZSA-N	418.541	5.122	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)C(F)(F)F)cc1	506681734	LQKRAHURVPJVAA-ACJLOTCBSA-N	423.460	5.372	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1-c1ccnn1C	507007658	KVBVYGKHDKZDSX-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1cc(Cl)ccc1F	510203134	HKFAFGWSUJVLDO-CYBMUJFWSA-N	411.889	5.532	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1	511262855	UYAXXDTVBUAJDD-OAQYLSRUSA-N	410.304	5.971	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1C1CCCCC1	512719986	HKVRXRBFWZCOJX-IBGZPJMESA-N	415.522	5.182	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1	512802087	QLCGAXUUTCJFMQ-QZTJIDSGSA-N	423.532	5.081	30	20	HKED	
Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C(C)(C)C)n1	512880640	WIXIYLPIAZIKMK-SFHVURJKSA-N	406.917	5.279	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C)cc3OC(F)F)n2)cc1	512970148	OJYPJOMJSNIIBT-CYBMUJFWSA-N	420.462	5.280	30	20	HKED	
CC(C)(C)c1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cs1	518668904	SUTBDKGLISDQAB-UHFFFAOYSA-N	413.490	5.717	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1OC(F)(F)F	518684864	PIZYYOAUQHUJOO-CQSZACIVSA-N	423.460	5.501	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CCC#N)CC(C)(C)C)c3c(C)noc3n2)c(C)s1	520522793	YINWHQBLBRUVER-UHFFFAOYSA-N	410.543	5.279	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2ccc3ccccc3n2)cc1	521073105	PLGZHJCQTGUTSE-UHFFFAOYSA-N	408.461	5.263	30	20	HKED	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	521963013	ATSGWNYLLQMJSY-NHCUHLMSSA-N	419.569	5.033	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H](C)c1cccc(O)c1	522845994	MVEXNGOPDXYATC-QGZVFWFLSA-N	401.466	5.671	30	20	HKED	
C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1occc1COc1cccc(C#N)c1	523273609	RPZADSNACIGWDM-GOSISDBHSA-N	402.494	5.216	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1	524178184	LAFKRSHBEDGIBW-UHFFFAOYSA-N	412.449	5.821	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)N(CCC#N)Cc3ccco3)s2)cc1Cl	531766550	XEPVQQQIGGIRSV-UHFFFAOYSA-N	414.918	5.237	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	531896107	JZAHXPYFNYETJU-UHFFFAOYSA-N	402.498	5.304	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccsc3C2)cc1Cl	534091059	TUXBNGVBTCLZMX-LJQANCHMSA-N	407.926	5.647	30	20	HKED	
CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1c(C)noc1C	535271099	RDYQOLFDPCNEAF-QFIPXVFZSA-N	420.488	5.165	30	20	HKED	
CC(C)c1ccccc1NC(=O)C[C@@H](C)NC1CCC(Oc2ccccc2C#N)CC1	536867541	DMIPLQWAHJOGMR-JSRJAPPDSA-N	419.569	5.379	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccccc1C(F)(F)F	537158290	VGDGDCWQXAIKAK-LSDHHAIUSA-N	421.488	5.246	30	20	HKED	
N#C[C@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1	537384431	QZVQOJDZSMPSCK-GFCCVEGCSA-N	414.273	5.748	30	20	HKED	
C=CCn1c(SCc2ncc(Cl)cc2Cl)nnc1-c1cccc(OC)c1	538530256	UAOZWNTXQHNRHU-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
COc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1	539496221	JHVKIAZZDPNZAJ-GYCJOSAFSA-N	406.913	5.669	30	20	HKED	
Cc1ccsc1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	540227012	WNEOOEFETWLTJI-UHFFFAOYSA-N	405.523	5.066	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(Cc3ccccc3)cs2)c1	542373345	RYGRVWWDTJKKPM-UHFFFAOYSA-N	415.474	5.030	30	20	HKED	
C[C@@H](CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nccs1	543335769	MUKKYSCIDNSZGJ-DLBZAZTESA-N	404.539	5.188	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccccc3CC#N)c3cnn(C(C)C)c3n2)cc1	559250083	JQLPOSVQHMGFDV-UHFFFAOYSA-N	409.493	5.306	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(C2CCOCC2)cs1	561389108	RRKWXKHSWPGYKM-UHFFFAOYSA-N	421.547	5.312	30	20	HKED	
CN(C)Cc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1Br	564415040	MHOTZOMRSLZFSJ-UHFFFAOYSA-N	412.253	5.013	30	20	HKED	
Cc1cccnc1C(F)(F)c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1	570604105	MSYYJBAHZBXZSB-UHFFFAOYSA-N	423.263	5.618	30	20	HKED	
Cc1nc2ccccc2cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	570820292	KMJQSBZVOCLFCL-UHFFFAOYSA-N	411.436	5.385	30	20	HKED	
COc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OCCCC#N	577327797	HIBXWELLBMBIDX-UHFFFAOYSA-N	414.465	5.049	30	20	HKED	
CSCc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)oc2ccccc12	591721275	KJDJDJBSOXOWCK-UHFFFAOYSA-N	403.425	5.096	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccc2ccccc2n1	592975847	VEKBMYDPFHXWIR-OAHLLOKOSA-N	407.260	5.217	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cc1	598173407	DBHXWOGRIGSYTR-UHFFFAOYSA-N	407.514	5.071	30	20	HKED	
C=CCN(C(=O)c1cccc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603458972	WPFPIOOQLNFGGG-UHFFFAOYSA-N	415.474	5.704	30	20	HKED	
CCc1c(C)sc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c1C#N	609031432	MULZPMQFWWXLSZ-UHFFFAOYSA-N	419.535	5.052	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208504	NILFYWXNYMWOOT-UHFFFAOYSA-N	410.477	5.665	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCc1ccc(C#N)cc1F	609253954	CREWGPNFYXESLX-KRWDZBQOSA-N	403.457	5.468	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(Cl)cc1	609376998	MPRDPFUDXKBCLZ-CQSZACIVSA-N	410.930	5.338	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccccc1SC[C@H](C)C#N	609387668	CAEGKVPSKGIBQB-UKRRQHHQSA-N	417.962	5.348	30	20	HKED	
CCC[C@H](C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	609792776	CHKPBRAOMAIVPC-OAHLLOKOSA-N	405.285	5.059	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2)cc1	609986830	GQFZHNFCHWOERA-FQEVSTJZSA-N	422.488	5.463	30	20	HKED	
N#Cc1c[nH]c2c(F)ccc(F)c2c1=N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	610246147	GQVYMKIYOGEABO-URLYPYJESA-N	423.307	5.128	30	20	HKED	
Cc1cccn2cc(-c3ccc(NC(=O)c4c(Cl)cc(C#N)cc4Cl)cc3)nc12	611095994	DJJFVGHCRWWIIG-UHFFFAOYSA-N	421.287	5.741	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	670221388	LHQJXUXVHDNRRJ-GASCZTMLSA-N	418.385	5.007	30	20	HKED	
O=C(Nc1ccc(-c2ccccc2)cc1F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674556919	SKRJUBNTFJXRCL-OKILXGFUSA-N	420.328	5.697	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCOC[C@H]1c1ccco1)c1ccc(C(F)(F)F)cc1	676727752	ZIGOCTSIQAXYMU-MSOLQXFVSA-N	408.420	5.089	30	20	HKED	
CCCOc1ccc(C=NOCc2ncc(-c3cccc(Cl)c3)o2)cc1OC	727476720	CNOOFARRWOWZFI-UHFFFAOYSA-N	400.862	5.343	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(Cl)nc1	727978931	PCKQHAVDEPXHRS-UHFFFAOYSA-N	408.914	5.303	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1csc(-c2ccoc2)n1	730959648	JVWVDNKSDLIOOX-UHFFFAOYSA-N	403.916	5.242	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731048840	SCNWOQGMYJAYEH-UHFFFAOYSA-N	418.585	5.162	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	731332158	FBFWXZFTAUVAKS-JICACKBISA-N	408.523	5.306	30	20	HKED	
CC(C)n1ncc2cc(/C=C3/CSc4c(Cl)cccc4C3=O)c(Cl)nc21	731939824	UTNAYTZBLOXIBI-QPEQYQDCSA-N	404.322	5.691	30	20	HKED	
CCN(C(=O)/C=C/c1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1cccnc1	732961607	GGOQPZMFYGVBQE-RBZOQEBVSA-N	401.897	5.258	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c1	733771246	LILYCRNXQWLZSR-LJQANCHMSA-N	422.431	5.368	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc(OC[C@H]4CCCO4)cc3)c2)c1	734159702	HNSDCYCETMVOBA-AREMUKBSSA-N	414.505	5.307	30	20	HKED	
C=CC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccncc1	734456676	AMCSESKZVXOHGB-SFHVURJKSA-N	418.349	5.488	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	734706853	ZVFFVQVWUALUFS-XJKSGUPXSA-N	400.425	5.611	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)SCc2cc(Cl)ccc2OCC#N)c1	735319758	AQVSDDDJHCUVAD-ZDUSSCGKSA-N	406.960	5.225	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCS[C@H](C)c2cccs2)n(Cc2ccco2)c1C	737404217	CYUQSFCOWFRPFR-MRXNPFEDSA-N	413.568	5.502	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	737841771	RNUPYUMMSZEWGB-HNNXBMFYSA-N	404.228	5.091	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C	741641264	JAUHNRUBTFYZMV-UHFFFAOYSA-N	400.862	5.175	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cc(Br)cc(C(F)(F)F)c1	742768289	BACQCYINPNMZFT-UHFFFAOYSA-N	415.234	5.336	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)ccc1OCc1ccccc1	747193063	DFZKGJYDSMLESL-GOSISDBHSA-N	406.507	5.344	30	20	HKED	
CCOc1c(OC)cc(/C=C2/COc3c(ccc(Cl)c3Cl)C2=O)cc1OC	750912887	IOASCOCCKJBADA-GHXNOFRVSA-N	409.265	5.068	30	20	HKED	
CC(=NNc1ccc(C(F)(F)F)nn1)c1ccc2c(c1)Nc1ccccc1S2	754710707	FNIRPPGZYJANNH-UHFFFAOYSA-N	401.417	5.540	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1csc2ccccc12	754731238	LFLBOUFRRPWDQY-JKSUJKDBSA-N	409.580	5.585	30	20	HKED	
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	755611102	IOSMQNQSIDTVKT-HGZMWJMZSA-N	423.881	5.651	30	20	HKED	
C=C(C)[C@H](C)OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	755987970	IADZHNGDQWWNSY-KBPBESRZSA-N	414.552	5.193	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)c2)cc1	758598900	QBZBVWFCJPIYHG-DENIHFKCSA-N	417.465	5.064	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)c1cnn(CCC#N)c1-c1ccccc1	759054889	OCPMBHGNZJPNAH-MRXNPFEDSA-N	408.527	5.270	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1c(F)cccc1F	764567684	VIVRKYMNONLLTK-RDJZCZTQSA-N	420.415	5.208	30	20	HKED	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cn(CCCC#N)c2ccccc12	767477863	LNVWPNUHVNZNGE-UHFFFAOYSA-N	414.553	5.208	30	20	HKED	
COc1ccc(F)cc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	773983528	XWSRFYYSVCECIT-INIZCTEOSA-N	400.862	5.030	30	20	HKED	
Cc1ccc(N(C(=O)Cc2ccccc2CC#N)c2nc3ccccc3s2)c(C)c1	776855913	QRTRQELZZZLKBD-UHFFFAOYSA-N	411.530	5.887	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCCC(=O)c2ccc(F)cc2)cc1	777774013	PNHWHSGDPUHKEA-XMMPIXPASA-N	414.480	5.863	30	20	HKED	
C=CC[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1ccccc1	778736462	ANEKAVGIZLAZQF-KRWDZBQOSA-N	403.931	5.114	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1O[C@H](C)c1ccccc1	780579326	WSBWYLHWVYRWPL-QZTJIDSGSA-N	401.466	5.761	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2c(Cl)ccc3cccnc23)cc1	781120766	AKZMXSNVWMWSBU-UHFFFAOYSA-N	414.321	5.308	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1F	783080841	KJPHYRMKYHGMBQ-UHFFFAOYSA-N	419.412	5.229	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)C(=O)c1cccc(C(F)F)c1)c1ccc(Cl)cc1Cl	787052371	YUWWOZVMPPLDHB-ZUZCIYMTSA-N	411.235	5.131	30	20	HKED	
N#CCCn1cc(CNc2cccc(COc3ccccc3)c2)c(-c2ccncc2)n1	788506353	DWKDSAOYXAMSCZ-UHFFFAOYSA-N	409.493	5.050	30	20	HKED	
CC(=O)N(c1nc(/C=C2/CCc3[nH]c4ccc(Cl)cc4c3C2=O)cs1)C1CC1	790603545	MIMKVMCITRWUBH-WQLSENKSSA-N	411.914	5.006	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1cnc2ccccc2n1	792101617	SQOXUZBALXYFRS-NTKDMRAZSA-N	413.864	5.280	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1)c1ccccc1	793198760	LVOUAVLBIZVASY-FPOVZHCZSA-N	411.343	5.070	30	20	HKED	
O=C(Nc1cccc(C=NNCCC(F)(F)F)c1)c1ccc(Cl)cc1Cl	794545316	KWLGAKMEVGARJH-UHFFFAOYSA-N	404.219	5.122	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1	806400886	LCCFRBPFIUCHJL-MBSDFSHPSA-N	415.493	5.288	30	20	HKED	
O=C(/C=C/c1cscc1C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1	811690640	DGTJNRYKWHHJJD-JXMROGBWSA-N	414.470	5.379	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1	813212682	FHTORJDDIRINRY-OAHLLOKOSA-N	400.322	5.318	30	20	HKED	
N#CCCC[C@@H](NC(=S)NCCSc1ccc(Cl)cc1)c1ccccc1	814209961	HZRKRNCANLYOFU-LJQANCHMSA-N	404.004	5.331	30	20	HKED	
C#CCOCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1	814717146	AFXPRHWONDIXIU-UHFFFAOYSA-N	407.882	5.305	30	20	HKED	
C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(N2CCCOC2=O)cc1	815599877	FDIRZKDIGMVSFS-LJQANCHMSA-N	411.505	5.423	30	20	HKED	
C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1	904634375	NJGGDXFUIPJCBU-HNNXBMFYSA-N	404.470	5.301	30	20	HKED	
Cc1ccc(-c2csc3ncnc(NN=Cc4c(C(C)C)nn(C)c4Cl)c23)cc1	915956658	YORTUVKARLZLSX-UHFFFAOYSA-N	424.961	5.623	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccncc2)ccc1OCCOc1cccc(C)c1	916136361	MIDDCJBSFRNWOZ-VQHVLOKHSA-N	403.478	5.143	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(CSc2ccccc2)cc1	916912251	ZRBMTKRRKCHCMK-LJQANCHMSA-N	420.921	5.593	30	20	HKED	
C/C=C\c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)c1	916972244	LVWFYWDEDQCLHG-PHWHVTFISA-N	418.518	5.416	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995226	COFCOKIIOFDOSU-OAHLLOKOSA-N	421.280	5.511	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	917026834	PJDCSECCGSIZFV-SWLSCSKDSA-N	417.317	5.761	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccccc4)CCCC3)n2)cc1	920140781	BMHJNBLOSGSZNR-HXUWFJFHSA-N	402.519	5.507	30	20	HKED	
CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)CC#N)cc2)CCC1)c1ccc(Cl)cc1	1787644996	PUWARWGTTQXGBC-QFIPXVFZSA-N	423.944	5.127	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)ccc3F)cc2)CCC1	1790645506	MVMULYPPFCYONE-FQEVSTJZSA-N	422.500	5.047	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CC)c2ccccc2)CC1	1831371956	PUNDEWGBXULNSG-TUACAJSNSA-N	410.602	5.012	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832404531	NFWJGIKYXZZKRU-PLXFJCCSSA-N	412.618	5.121	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cnn1-c1cccc(C(F)(F)F)c1	25440266	DJNNIQPVIIPXMH-UHFFFAOYSA-N	412.415	5.253	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)c1	28303729	RSAHBWXVOFYTHF-HNNXBMFYSA-N	407.461	5.145	30	20	HKED	
COc1cccc([C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	195627365	PPDPQXUFAQAORT-GOSISDBHSA-N	400.478	5.082	30	20	HKED	
N#CCCn1cc(CNCCOc2ccccc2-c2ccccc2)c(-c2ccccc2)n1	237830020	HDVLPHXZTGJTQL-UHFFFAOYSA-N	422.532	5.299	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccccc3CCc3ccccc3)CC2)c1	303253040	NRAVQNKXWJTBPQ-UHFFFAOYSA-N	410.517	5.027	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	303581405	KKDOTUMHWSOTAJ-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
Cn1c([C@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2)nc2ccccc21	426132380	YCFKXCVVLHUYCL-OAQYLSRUSA-N	415.884	5.009	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1nc2ccccc2n1C(F)F	426512415	BIQUGLXUHFOFER-SECBINFHSA-N	417.828	5.026	30	20	HKED	
CC[C@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[C@H]1c1ccccc1	428622364	RMZWZBYEVFSFCN-NZQKXSOJSA-N	412.537	5.120	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1Cn1cccn1	429056647	SPSITKQWVISESI-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
CCOc1ccc(CCC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)cc1	429825666	IPHJIKPQGFZAKC-UHFFFAOYSA-N	408.567	5.186	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	432964890	KCURSVIXTLFKEW-UHFFFAOYSA-N	413.387	5.373	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N	438074823	PNRIEFVIUVHTPP-FPOVZHCZSA-N	409.599	6.264	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(COCC)cc1	438861180	UDMJHTHHOQXXKK-UHFFFAOYSA-N	421.310	5.345	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	439106432	ITOWLLOPWPMYFO-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	439419964	IGOAJCBHUKWWDT-UHFFFAOYSA-N	420.328	5.615	30	20	HKED	
N#CC1CCC(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)CC1	442719601	IVYBAQICQWSQMO-UHFFFAOYSA-N	407.480	5.490	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCCO)[C@H]1CCCc2ccccc21	443908445	OTXRJSFFDNAHSX-AVRDEDQJSA-N	423.582	5.232	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c2ccccc21	444273849	UOAOXIUPYCDURC-UHFFFAOYSA-N	419.475	5.543	30	20	HKED	
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(C(C)C)cc1	460368167	FKKNEYROQPRMCD-DENIHFKCSA-N	412.578	5.043	30	20	HKED	
COc1ccc2sc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c(C)c2c1	461083496	DSSMRHORQXTVIG-MRXNPFEDSA-N	405.306	5.520	30	20	HKED	
C[C@H](C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1)c1cccc(C#N)c1	462262202	ZZYFDPINNBVSMV-INIZCTEOSA-N	423.944	5.359	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c12	464420282	MQHHHVVSRHXHLQ-INIZCTEOSA-N	422.366	5.102	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cccc(-n2cccn2)c1	465206105	LSTCJFVBXVDCHI-IBGZPJMESA-N	422.488	5.222	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(Br)c2)C2CCOCC2)c(Cl)c1	467301892	SQIMQVDZJRVSKG-UHFFFAOYSA-N	419.750	5.155	30	20	HKED	
C=CCn1c(SCc2cncc(F)c2)nc2scc(-c3cccs3)c2c1=O	468105813	FOAQIUQIVPQEOZ-UHFFFAOYSA-N	415.540	5.199	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	470122697	BNKHVWAPHOSCDR-GOSISDBHSA-N	406.379	5.293	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2O[C@H]2CCOC2)cc1	470776684	LJDSOINYRLNRCY-NRFANRHFSA-N	414.461	5.079	30	20	HKED	
CC(C)(C)OCc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1	471367036	QWIASIGLYSXLOA-CYBMUJFWSA-N	415.559	5.326	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)cc1	472015581	CRFPYGOHTNGSEL-UHFFFAOYSA-N	420.472	5.393	30	20	HKED	
Cc1cc(-c2ncccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cs1	474326329	WOGOVJNNFUVHPC-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1	475253060	LKNKLZNFZZJUFB-TZIWHRDSSA-N	403.526	5.036	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1	475597473	WGODBTXVKNEBCE-LJQANCHMSA-N	403.309	5.008	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1	477103935	VLHXIFOZJFLNGO-LJQANCHMSA-N	402.523	5.060	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(Cl)s1	478846426	ZLZWCQACWSICAL-UHFFFAOYSA-N	413.355	5.099	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1	481790967	UZFGXKJXOLYTLL-HNNXBMFYSA-N	423.513	5.164	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	483910058	CVDCNVZOTCQXIB-FQEVSTJZSA-N	407.558	5.500	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1	495092473	IBAAWQSLLIHGSE-IBVKSMDESA-N	400.497	5.622	30	20	HKED	
CCCn1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1	498554290	KCJXMBAXDLRXPP-ZDUSSCGKSA-N	412.465	5.062	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cc1	503266707	KHFQSDXIQMBMKN-DEOSSOPVSA-N	417.553	5.130	30	20	HKED	
C=CCOc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)c1	504070732	LASSMHUUEOFLMD-QGZVFWFLSA-N	422.554	5.212	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](COc4ccccc4)C3)cc2)cc1	504156005	HOVRVMQIXFRBNR-OAQYLSRUSA-N	412.489	5.086	30	20	HKED	
N#Cc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1	504389577	UWJXXCWUHYEBIP-NRFANRHFSA-N	413.908	5.184	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c[nH]c3cccc(C)c23)cc1	504687030	MZCSIUBWQDVSCP-UHFFFAOYSA-N	411.461	5.330	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CCC#N)CC3CC3)c3cnn(C(C)C)c3n2)c(C)s1	505187237	IPCNECBPHRKWOP-UHFFFAOYSA-N	421.570	5.123	30	20	HKED	
N#C[C@@H](C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc(-c2c(F)cccc2F)cs1	505700434	JQROTSDNZSRTTN-IRXDYDNUSA-N	424.472	5.472	30	20	HKED	
C[C@H](CC(=O)c1cccs1)NC(=O)c1ccccc1Sc1ccccc1C#N	508031436	XNPVERFYJQQDQZ-OAHLLOKOSA-N	406.532	5.162	30	20	HKED	
CCOc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	510643660	GVYDPUGZZIESPF-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@]4(CC=CCC4)C3)c2)cc1	512731989	YKTRRRSVBOIOPZ-AREMUKBSSA-N	415.537	5.686	30	20	HKED	
O=C(CCCCc1nc2ccccc2s1)NCC#Cc1cccc(C(F)(F)F)c1	514835493	PEEVNTFBGJSUTP-UHFFFAOYSA-N	416.468	5.196	30	20	HKED	
Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	515676654	QJSAXTKRTLNOQD-UHFFFAOYSA-N	424.435	5.059	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1cccc2ccccc12	516703037	HBIAKMZAOZVXCG-LJQANCHMSA-N	406.599	5.499	30	20	HKED	
Cc1ccccc1CN1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	518169231	PEDVBOIRYYCGAK-GOSISDBHSA-N	422.598	5.033	30	20	HKED	
Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	518697400	UXFVQTDFGMPCNZ-UHFFFAOYSA-N	414.509	5.456	30	20	HKED	
N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCCC4)nc1	519060913	ULIAALWOQXJGSA-UHFFFAOYSA-N	422.579	5.011	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl	519485142	HGOWEFSDRUWLJZ-DZKIICNBSA-N	413.226	5.497	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cnc1C(F)(F)F	521645216	AKCFYSMPPLFTPF-UHFFFAOYSA-N	408.339	5.033	30	20	HKED	
CC(C)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccc(C#N)cc1	521821290	BSXNFFOPZMTQCD-UHFFFAOYSA-N	409.839	5.080	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(Cl)c1Cl	524572570	GWLFVZYKPXBRRQ-IOASZLSFSA-N	413.226	5.497	30	20	HKED	
Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)ccc1NC(=O)CC(C)C	525118130	PYJSVURWBLTKGF-UHFFFAOYSA-N	418.522	5.227	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1NC(=O)Nc1ccccc1	525513984	AVOALAIWSHFPEV-LJQANCHMSA-N	423.476	5.314	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	534778535	XCKGXVLQTZZJLZ-UHFFFAOYSA-N	415.478	5.213	30	20	HKED	
COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	535530438	SMOJUOBYKZOFGV-SFHVURJKSA-N	414.461	5.172	30	20	HKED	
COc1ccc(CN(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1OCCCC#N	536710150	LPNUXGBHCLVRTQ-KRWDZBQOSA-N	401.576	5.459	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccc(C(F)(F)F)cc1	536842280	YSSVULBMJCRZSO-YCRPNKLZSA-N	420.475	6.031	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NCCC(=O)Nc3sccc3C#N)cc2)c1	537099881	UIOLIPNVCQPJOE-SFHVURJKSA-N	419.550	5.187	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1	541071007	QQJPLTZETDIKPX-ZWKOTPCHSA-N	412.537	5.761	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1nc(C(C)(C)C)cs1	541656694	WGIRVBXTEJQKST-HUUCEWRRSA-N	416.616	5.124	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542948495	VJUGARBCCJSCFC-KRWDZBQOSA-N	403.913	5.476	30	20	HKED	
Cc1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(-c2ccccc2)s1	543574270	QHXYXUKSZHQBSQ-AWEZNQCLSA-N	408.433	5.353	30	20	HKED	
C[C@H](NCc1cc(C#N)ccc1Br)c1ccc(OCc2cccnc2)cc1	555577963	LUKYQXLVNYUJNA-INIZCTEOSA-N	422.326	5.146	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1CC(C)(C)C	556504762	RHSHGLGHXKTRQM-NRFANRHFSA-N	405.542	5.878	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3N3CCCCC3)n2)cc1	556895486	NBTYBRCTSXUYGO-HXUWFJFHSA-N	417.534	5.299	30	20	HKED	
C=CCn1c(SC[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)nnc1C1CC1	573664709	MLGFBMWIXLDOEA-WMZOPIPTSA-N	423.504	5.620	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(C)nsc1C	578956281	WAFCNCSBBIMIBP-UHFFFAOYSA-N	406.964	5.062	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1SCc1cc(C#N)ccc1F	588224581	OQEKUYQTNAKIJS-UHFFFAOYSA-N	410.518	5.206	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc2cc(F)ccc2s1	592973281	BUAIFYOBODIFKN-IBGZPJMESA-N	402.450	5.504	30	20	HKED	
CCSc1nnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	597704229	OZMCBNIEXZJINM-UHFFFAOYSA-N	412.565	5.066	30	20	HKED	
Cc1sc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c(C#N)c1C	603444776	DHNJDDJOUWHRTP-UHFFFAOYSA-N	424.526	5.396	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603692058	QGGGJACZAYHHMW-KRWDZBQOSA-N	416.481	5.415	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Oc1ccccc1Cl	609061291	NJXNPYGSNLLZJG-KRWDZBQOSA-N	420.896	5.505	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	609090912	ZAIROTSYFJIKFY-UHFFFAOYSA-N	423.822	5.024	30	20	HKED	
Cc1ccccc1-n1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2c1CCC2	609376477	CDYUISJFSGAQKM-MRXNPFEDSA-N	416.550	5.174	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccccc2SC[C@H](C)C#N)c(Cl)c1	609387045	HNPOAWQXURWSTR-ZBFHGGJFSA-N	401.963	5.648	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609724180	BDUGMWNHWFOGPL-UHFFFAOYSA-N	403.825	5.137	30	20	HKED	
N#Cc1nnc2ccccc2c1NCc1ccccc1-c1ccc(Cn2cccn2)cc1	610130471	ZHTFCFHPDMSITH-UHFFFAOYSA-N	416.488	5.025	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1	610142632	DYQJWPPKYOPJDH-RTBURBONSA-N	407.583	6.334	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cccc(C#N)c1	610325213	KTBDQFRYBXNPIY-HNNXBMFYSA-N	406.873	5.068	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC3CCN(c4cccs4)CC3)cc2)cc1	610672497	RZSYFDMZSVPXLT-UHFFFAOYSA-N	417.534	5.005	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(CC1)OCc1ccccc12	610744852	MMVOYZFOPZJKSA-KRWDZBQOSA-N	407.539	5.134	30	20	HKED	
COc1ccc2oc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c(C)c2c1	612894635	CVLYFRQVPQSSLD-SFHVURJKSA-N	402.475	5.672	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	613919030	MFUYBUHGSNJKIV-LBPRGKRZSA-N	416.543	5.218	30	20	HKED	
CC(C)c1ccc2ncc(C#N)c(N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2c1	618584802	LBEODXOQVAOEDJ-GASCZTMLSA-N	401.354	5.407	30	20	HKED	
C[C@H](SCc1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1	619608562	GASASKGNNOWECA-HNNXBMFYSA-N	403.345	5.018	30	20	HKED	
O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)NCC#Cc1ccccc1	643645360	RTSLWEFPQYYTHG-UHFFFAOYSA-N	414.555	5.249	30	20	HKED	
C=CCSc1ccccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	681591943	YFCSKKVJAUWPCC-VXGBXAGGSA-N	411.411	5.604	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2ccccc2CC)c1	726574000	WXJWDHGUPDTWSD-UHFFFAOYSA-O	413.566	5.404	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	726857832	WRMBVVMEXBAQQR-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1c(Cl)nc2sccn12	728441831	QYGAKFPKOMWIRP-VOTSOKGWSA-N	403.891	5.516	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)c2ncc[nH]2)c1	729240188	GBGZPMUWTRUDJT-JLPGSUDCSA-N	410.473	5.421	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1	730690897	ZWWHDGJLEBTAFM-AOMKIAJQSA-N	420.827	5.617	30	20	HKED	
CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	732962567	IIKGUUZMPQLNBD-VJHGBBPISA-N	409.533	5.728	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CSc2cccc3cccc(Cl)c23)c1	733775207	WERPIRLKWVTFSC-SFHVURJKSA-N	424.953	5.583	30	20	HKED	
C[C@H](N[C@H](C)c1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	734158611	JFMNFVPTXJQNIF-UONOGXRCSA-N	424.595	5.176	30	20	HKED	
C=CC[C@H](NC(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1)c1ccncc1	734658203	DGQZBYLPHGVRGF-NRFANRHFSA-N	402.498	5.002	30	20	HKED	
C[C@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	734698883	QQIUZQDJPYPWRU-NTKDMRAZSA-N	417.553	5.146	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Cc2ccc(OCC#N)cc2)cc1	741647280	YDKVTGLVORHVGG-LJQANCHMSA-N	414.505	5.027	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1	742649859	RTQHMKUXRXEANO-MKRLJBPISA-N	404.457	5.999	30	20	HKED	
O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CCOc2cc(Br)ccc21	743057896	VACHAOXCFROCAI-RVDMUPIBSA-N	423.266	5.080	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc(-c2ccncc2)cs1	744064370	UTKBQXXONZUAKD-IXDOHACOSA-N	414.317	5.492	30	20	HKED	
CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Nc2ccccc2)cc1	744403388	ZUOSZMHRYYRDAP-UHFFFAOYSA-N	409.493	5.767	30	20	HKED	
N#C[C@H](C(=O)CN1Cc2ccccc2C[C@@H]1c1ccccc1)c1nc2ccccc2s1	744413005	VIDQEJNBKNOSAC-FYYLOGMGSA-N	423.541	5.272	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2o1	746572556	NDJHBANXUNNVPK-MRXNPFEDSA-N	413.502	5.384	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1cccc2ncccc12	754706831	RGSDNXWUPGQJFH-UHFFFAOYSA-N	403.917	5.702	30	20	HKED	
Cc1sc2nc(/C(Cl)=C\c3ccccc3C#N)nc(O)c2c1-c1ccccc1	755580064	XYXDQBYFCRHYOI-GZTJUZNOSA-N	403.894	5.981	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)nc1	758341715	JGHWWOQZLNRRIF-UHFFFAOYSA-N	423.476	5.212	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(F)cc2OCC#N)sc1-c1cccc(Cl)c1	760802093	XSFZNEAUEIHYBS-UHFFFAOYSA-N	400.862	5.671	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1Cl	762437075	BLDZXXAGGBRRIN-RMKNXTFCSA-N	410.926	5.196	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(c3cccc(F)c3)CC2)c1=S	765062777	YYZQQHKQVCYARH-UHFFFAOYSA-N	423.561	5.028	30	20	HKED	
CN(CCC#N)c1ccc(CNc2ccc(N3CCc4sccc4C3)cc2)cc1	770549000	CCUQHYBBMHGOJJ-UHFFFAOYSA-N	402.567	5.273	30	20	HKED	
CCCCCCCC[C@@H](C)CC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1	774822282	CSEYIHXMEDJRDY-YADHBBJMSA-N	404.639	5.404	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cn(C(C)(C)C)nc1Br	779929287	IIMNWHPLBAWJTD-GFCCVEGCSA-N	421.364	5.047	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4c(C)ccnc4[nH]3)c2c1	780388361	PJXVIJFEAGPMFI-FQEVSTJZSA-N	417.472	5.280	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCCC(C)(C)C)cs1	782906566	ARRTUEWNOUQBKU-UHFFFAOYSA-N	412.481	5.206	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc2cccnc12	783811141	GUVFDMQJJXMLST-UHFFFAOYSA-N	414.321	5.279	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(Oc3ccc(OC)cc3)cc2)c1	784543952	BBYKDIGXZOFDDT-NRFANRHFSA-N	402.494	5.458	30	20	HKED	
CN(C(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1cc(Cl)ccc1C#N	790946345	LUHKSGQJKQLLOV-UHFFFAOYSA-N	413.905	5.154	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CC(C)(C)[C@H]2c2cccnc2)c1=S	793576182	WRIOLHPCVCQZDN-HXUWFJFHSA-N	405.571	5.011	30	20	HKED	
C=CC[C@@H](OC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(Cl)c(Cl)c1	797554955	PEWBRNJHKWMDSX-QGZVFWFLSA-N	409.313	5.827	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccc(COc4ccccc4)cc3)no2)cc1	904446449	NOKBPTUJKUIKFI-XMMPIXPASA-N	422.488	5.529	30	20	HKED	
C=C(C)CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccnc2)SC1=S	914866838	AWXONDJZSVTJBW-NVMNQCDNSA-N	416.955	5.091	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1	915087639	WHVZLXGMWDEJQI-OAQYLSRUSA-N	410.395	5.378	30	20	HKED	
O=C(Nc1cccc(C=NNc2ccc(Cl)nn2)c1)c1ccc(Cl)cc1Cl	916287983	YUSGCMMRBWJBNC-UHFFFAOYSA-N	420.687	5.135	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1	916409824	PQLRNPUTIRBWAN-UHFFFAOYSA-N	408.910	5.787	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1	916973072	TZKSZPQGOBTAPA-KBXCAEBGSA-N	412.967	6.129	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c[nH]c3ccccc23)cs1	917560478	OBBVZAMSMYPQJO-XFXZXTDPSA-N	401.491	5.514	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)C3(c4cccc(F)c4)CCOCC3)cc2)cc1	919974679	NFPCDCCIJLHKFT-UHFFFAOYSA-N	401.437	5.018	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)CC2CCC2)cc1	920060381	LRCIYWNGFPPEOI-AREMUKBSSA-N	409.533	6.176	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC	920102718	XVVCBMDHLLITBZ-MRXNPFEDSA-N	424.884	5.133	30	20	HKED	
N#C[C@@H](C(=O)Cc1c(Cl)cccc1Cl)c1nc(-c2c(F)cccc2F)cs1	920804534	UIDQVNYHQOZWHG-NSHDSACASA-N	423.271	5.814	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)Cc2cc3ccccc3nc2O)cc1	1468068199	NRRIESOMBYHXCZ-UHFFFAOYSA-N	411.486	5.144	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccnn3C(C)C)CCC2)cc1	1789626481	QROIEERHXQEXJY-UHFFFAOYSA-N	422.573	5.204	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1	1790312316	QGOHCFGEVFKXNO-UHFFFAOYSA-N	402.416	5.029	30	20	HKED	
Cc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1	1792233517	MAEQTVIBOARKDC-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccccc1	4286167	XTOACYSDRIQGPP-UHFFFAOYSA-N	408.527	5.686	30	20	HKED	
N#CCCN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1	15187252	OXFYLZIBBCMNOR-UHFFFAOYSA-N	401.652	5.112	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)c(F)c2)c1	22732119	FILRCXJETGVOPP-UHFFFAOYSA-O	415.460	5.059	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1	22804651	WTSFNVSXHHEWPB-UHFFFAOYSA-O	411.635	5.508	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1	25438568	DBOITLJDEDWVIT-UHFFFAOYSA-N	420.516	5.652	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1-c1ccc(OC)cc1	25537206	MIERZQFFBOANGN-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
CCSCc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	55327261	GEVSTHWCLMITRN-UHFFFAOYSA-N	403.507	5.559	30	20	HKED	
C=C(C)COc1cc(CNCc2ccccc2CN2CCCC[C@H]2C)ccc1OC	60947888	CJZSMLPLLPIOJE-OAQYLSRUSA-N	408.586	5.314	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)cc1	63440980	GXQSAWHFONSASM-UHFFFAOYSA-O	401.555	5.076	30	20	HKED	
N#Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1	64814629	FXMOGBFYURXWFJ-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(-c2ccco2)sc1C	106116484	SJBSHXWAASJHMO-UHFFFAOYSA-N	416.462	5.331	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	115187221	TWLXCRHYEWCYLU-AWEZNQCLSA-N	424.595	5.130	30	20	HKED	
COc1cc(Oc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)ccc1C#N	302835828	VYBCGTVHBSOGKZ-UHFFFAOYSA-N	416.506	5.092	30	20	HKED	
C=CCN1CCC(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)CC1	303280123	LZBHIGGMPFWSCV-UHFFFAOYSA-N	412.599	5.379	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2ccccc2n1CC(F)(F)F	426671621	MZKNMHWPJPBDGD-AZUAARDMSA-N	411.427	5.116	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cc(Cl)ccc1Cl	426781833	CFXCTSFYMNMMNX-ZIAGYGMSSA-N	422.381	5.534	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1cccc(C#N)c1	430311135	ATCAOSCUMZHPMR-UHFFFAOYSA-N	414.292	5.573	30	20	HKED	
FC(F)(F)C[C@H](NCc1ncc(C(F)(F)F)s1)c1ccc(C(F)(F)F)cc1	433341414	SIVWXVGXROOTGH-JTQLQIEISA-N	422.316	5.964	30	20	HKED	
CCN(CCC#N)C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1	434120208	SSPWPXUFXXWHBB-UHFFFAOYSA-N	424.570	5.117	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1Cl	437273611	LSSNVQQOCOVMIZ-INIZCTEOSA-N	400.787	5.665	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1Cc1ccccc1	438072608	BOYYXYNJIOTVAG-UXHICEINSA-N	422.598	5.067	30	20	HKED	
C=CCN(C(=O)c1cc(C2CC2)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	440443979	OJEKKEWGZPXPIW-UHFFFAOYSA-N	420.321	5.815	30	20	HKED	
CCOc1c(F)cccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	442678481	DPUUGLJPWFDSIG-HNNXBMFYSA-N	400.862	5.491	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c(F)ccc(F)c21	463734386	HIUPWVCUPRVARX-BLLLJJGKSA-N	403.454	5.004	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2nccnc2cc1F	470714047	LJILQZVDJOJJKZ-UHFFFAOYSA-N	403.257	5.059	30	20	HKED	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1	473639008	HDVDZVYQZHGWJD-WWOZWPLTSA-N	416.546	5.049	30	20	HKED	
COCCC1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCCC1	473672489	AXDVZSUPTDVZFC-UHFFFAOYSA-N	421.541	5.050	30	20	HKED	
COCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	475380217	DVOKWDCVEPVKRN-INIZCTEOSA-N	418.459	5.356	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1	475564634	NDSDJTQXZGQXJB-INIZCTEOSA-N	422.504	5.919	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	476723016	ICXCSYSVCFSTQN-UHFFFAOYSA-N	416.905	5.019	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	480550340	HQRMLTKMRAOTNW-UHFFFAOYSA-N	405.454	5.059	30	20	HKED	
C=CCn1c(SCc2csc(C(C)(C)C)n2)nnc1-c1cccc(OC)c1	481388805	GKWJZQIZXOQNRC-UHFFFAOYSA-N	400.573	5.186	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CC=C(C(F)(F)F)CC1	482411972	VTVJMBBVIDKSLS-GFCCVEGCSA-N	420.275	5.213	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1	483057614	JGGWPXFPHHRBQR-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C)c1ccc(F)c(F)c1	483309389	OMLZBRPDGJJRBY-PZJWPPBQSA-N	402.489	5.249	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1	483449360	JMROMVGYOZMQHU-QHCPKHFHSA-N	421.516	5.399	30	20	HKED	
CSc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1[N+](=O)[O-]	486994751	GFSYYAWWMFPTAK-LLVKDONJSA-N	403.872	5.070	30	20	HKED	
Cc1c(NCc2cc(C#N)ccc2Br)cccc1NC(=O)c1ccccc1	492584401	VCALXPMZDHNRAQ-UHFFFAOYSA-N	420.310	5.494	30	20	HKED	
CN(CCCNC(=O)c1ccccc1Sc1ccccc1C#N)C1CCCCC1	497912404	YFTHKUCPJLFDFQ-UHFFFAOYSA-N	407.583	5.094	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1C	501666298	SXBDIODLUWDZGQ-UHFFFAOYSA-N	410.517	5.526	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(S[C@@H](C)CC)cc2C)cc1	502521472	SGGVTNXSILUNNU-INIZCTEOSA-N	412.559	5.837	30	20	HKED	
CCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](C)CC(=O)Nc1ccccc1	503818746	BPUVNQQWESYPRF-GOSISDBHSA-N	406.530	5.149	30	20	HKED	
CCOCCC1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	506540560	KRBBWNYOMKGSLK-FQEVSTJZSA-N	411.933	5.324	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1	506583521	IWCWFQPDVOTBTK-UHFFFAOYSA-N	411.933	5.011	30	20	HKED	
CCOC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	506758333	QMHPADQQWCWQOE-KRWDZBQOSA-N	413.905	5.284	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C)nc21	508848829	AWTLHMVGVNCYHH-CQSZACIVSA-N	407.543	5.165	30	20	HKED	
N#Cc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1	509664020	MCBADXPBPOEAST-QGZVFWFLSA-N	409.561	5.151	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	510003961	BVVKBEQMNBMWMI-JOCHJYFZSA-N	403.913	5.968	30	20	HKED	
CC(C)[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1	510812518	PMBNWNZOGYZWOQ-JOCHJYFZSA-N	411.933	5.162	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1	516069840	LLPCKLKQTPOZAU-UHFFFAOYSA-N	424.591	5.599	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1cc(C#N)c2ccccc2n1	517778845	FXEXNHOVXCZYCI-UHFFFAOYSA-N	423.259	5.629	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2)cc1	519026612	RNEFMEZQOGSZCX-UHFFFAOYSA-N	423.428	5.448	30	20	HKED	
COc1ccc2cc(CN(C)C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1	520938882	FSJWQAXPPHCFGB-KRWDZBQOSA-N	419.550	5.907	30	20	HKED	
Cc1nc(-c2ccccc2)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)s1	522875144	CQGBCSGSRCCJNS-UHFFFAOYSA-N	408.552	5.041	30	20	HKED	
Cc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1F	523588097	GNFYOGDDCTYZRM-UHFFFAOYSA-N	405.448	5.057	30	20	HKED	
Cn1cccc1[C@H]1CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523899621	DDTYDUKEYGCXFI-OAQYLSRUSA-N	405.885	5.320	30	20	HKED	
C[C@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	525061175	WWWIKRNPIKFJLS-SJKOYZFVSA-N	414.349	5.599	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCO1	525103819	RZXFKSQAULPWLW-DEOSSOPVSA-N	416.452	5.012	30	20	HKED	
C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	525137303	NNGYKKFYSMERBR-KGLIPLIRSA-N	419.344	5.107	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1Cl	525658409	XUTHZURMZWSOLU-HXUWFJFHSA-N	405.841	5.085	30	20	HKED	
Cc1ccc(-c2ncco2)cc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	536196628	HIUMRETXIVIECL-HNNXBMFYSA-N	420.538	5.291	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	537061499	OCBXQFGNXDCHGF-QZTJIDSGSA-N	411.571	5.015	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2ccc(OC)cc2)o1)c1ccc(C(F)(F)F)cc1	537128670	QEAAIQKOELRYQZ-LJQANCHMSA-N	417.431	5.561	30	20	HKED	
C=CCC[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(C(F)(F)F)cc1	537129228	KTZWEZGTJCLORF-SFHVURJKSA-N	421.850	5.164	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1[C@H](C)C1CC1	537477099	ZOPPUVAEFIGWRD-OCCSQVGLSA-N	412.465	5.054	30	20	HKED	
C=CCCOCCCCC(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1	540488230	LQXMTVJWHJOEFC-QGZVFWFLSA-N	400.346	5.126	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	540541059	HOVVYXHTPVQCAR-CYBMUJFWSA-N	409.408	5.417	30	20	HKED	
Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n(-c2ccccc2C(F)(F)F)n1	540698359	UEZDMHWYIMFVGT-UHFFFAOYSA-N	410.399	5.007	30	20	HKED	
C[C@H]1CC[C@]2(CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)C1	541041244	IEHXVKCMLXILAK-DFBJGRDBSA-N	403.526	5.376	30	20	HKED	
CCCCOC1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	541159143	UBJLMDYIPMYQRU-LJQANCHMSA-N	405.542	5.277	30	20	HKED	
CCCCSc1ccc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)cc1C(F)(F)F	544863802	BPYHVNCPGAGZSI-HNNXBMFYSA-N	407.461	5.495	30	20	HKED	
Cc1nc(C)c(-c2csc(NC(=O)c3sc4ccc(C#N)cc4c3C)n2)s1	550490562	CWYJXOMVXSQGAR-UHFFFAOYSA-N	410.549	5.531	30	20	HKED	
N#CCCC[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1	552083231	XFJPQNPSNKJVRA-DEOSSOPVSA-N	417.940	6.117	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c2ccccc21	561270084	ZUUJGUZFXKKJOS-OAQYLSRUSA-N	424.426	5.460	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1Cl	563786352	NBLYVNSECCJBJK-IRLDBZIGSA-N	405.929	5.792	30	20	HKED	
Cc1ccc(-c2noc([C@@H](C)Nc3ccc(Oc4ccnc(C#N)c4)cc3)n2)cc1F	577806554	UQJYSGDUHPDLTN-OAHLLOKOSA-N	415.428	5.416	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	579269031	WEASCXKIWBBJBI-UHFFFAOYSA-N	411.550	5.059	30	20	HKED	
C[C@@H](NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1cccc(C#N)c1	588375539	CRDSXFDJGPAGDI-QGZVFWFLSA-N	401.535	5.060	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(C)c2)cc1	591061216	UILVCQZYPWBANS-XMMPIXPASA-N	404.485	5.346	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1	592076580	KADSWHMSVCEFHO-UHFFFAOYSA-N	417.578	5.247	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	603755240	YUFICXWXJYGPPR-OALUTQOASA-N	418.434	5.908	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1	605338748	BTSRCKATLPRNRK-HNNXBMFYSA-N	424.316	5.373	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1	606875737	DZHKKSGVAXYKSJ-AWEZNQCLSA-N	416.399	5.416	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Oc2ccccc2)nc1	609398771	PPIUSEZFAHGZAG-KRWDZBQOSA-N	418.522	5.447	30	20	HKED	
CC(C)Oc1c(Cl)cccc1NC(=O)Nc1ccccc1S[C@H](C)CC#N	609826798	BTGNGVWLSBVPAC-CQSZACIVSA-N	403.935	6.165	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)[C@@H](C)Oc3ccc(C#N)cc3)s2)cc1	610050627	FNVAIXMMIATDKY-ZWKOTPCHSA-N	419.550	5.286	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@@H](Sc1ccc(C#N)cc1F)c1ccccc1	610164678	QKPRHIKEBWNICP-QFIPXVFZSA-N	406.482	5.487	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc2ccsc2c1	610223398	BQZBXTSEHLJVEV-UHFFFAOYSA-N	401.466	5.463	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CCC(c2nc3ccccc3s2)CC1	610246551	JNEMWAUWLYVURC-UHFFFAOYSA-N	406.461	5.378	30	20	HKED	
N#Cc1c[nH]nc1NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	610620488	IMDSNBRMWCXBEK-UHFFFAOYSA-N	408.870	5.226	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(CC(F)(F)F)C2)cc1Cl	610743382	XGJJSJRZZKMUFE-QGZVFWFLSA-N	407.823	5.412	30	20	HKED	
C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)nc2ccccc21	613857802	STSNSVXHEPUFNS-OAQYLSRUSA-N	421.566	5.077	30	20	HKED	
Cc1nc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)sc1Cc1ccccc1	619664897	UZQXKGGZECYXGZ-UHFFFAOYSA-N	414.534	5.235	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCC1	642157353	GZONFMXIKRMLPS-NHAGDIPZSA-N	411.361	5.273	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1)c1ccccc1	677545981	QTRUPWJFIXNADJ-IBGZPJMESA-N	402.563	5.876	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(OCC(C)C)cc1	730141405	ICPJEDTYLCFKJR-UHFFFAOYSA-N	417.534	5.350	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc2cc(F)ccc2s1	730695788	MOPLEXQRPHEHAV-HZSPNIEDSA-N	405.281	5.722	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1-c1ccc(F)cc1	731025895	PXKDUKACRVNKQN-HNNXBMFYSA-N	407.514	5.737	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1	734082467	BVXIMUUVZTUNHF-GOSISDBHSA-N	416.531	5.056	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccccc1F	735231116	QBTOKGOYLVQGLA-UHFFFAOYSA-N	414.893	5.118	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cccc(Oc2cnccn2)c1	736458337	BCZQNLMUDQNXRI-UHFFFAOYSA-N	424.913	5.107	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(F)ccc2SCC(F)F)c1	738955126	PMLGMPQENZGQBH-OAHLLOKOSA-N	423.460	5.186	30	20	HKED	
CCOc1ccc(CN(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740063917	GLIUBGTWCHZQQQ-UHFFFAOYSA-N	405.523	5.027	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(Cl)c1	750691862	BTRNMGHETGKGBL-JNMQVBFRSA-N	403.894	5.615	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	752806099	MMAMEUIVLKHDIH-GOEBONIOSA-N	403.404	5.018	30	20	HKED	
N#Cc1cc(COC(=O)c2csc(-c3ccc(Br)s3)n2)ccc1F	758956582	ZZGKBTNITBFGIA-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1	760394317	BFKODOBCJVLNBQ-SFHVURJKSA-N	402.519	5.623	30	20	HKED	
Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1OCC#N	761664417	HAAXOGSOMQUMDV-UHFFFAOYSA-N	403.457	5.271	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C34C[C@H]5C[C@@H](CC(F)(C5)C3)C4)n2)cc1	766325057	KBPHYSCDDFYHHX-MDNXRPTBSA-N	410.514	5.303	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccncc1	771324705	QTDUADVCFWFDHY-RTBURBONSA-N	421.488	5.217	30	20	HKED	
C=C(C)[C@@H](NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1	772340164	UIMALQVKTJGINM-OAQYLSRUSA-N	416.468	5.288	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(C#N)cc3F)s2)cc1	772805411	GXXMSXOKWZYFOM-MHWRWJLKSA-N	412.877	5.100	30	20	HKED	
N#CCCCn1cc(C(=O)O[C@@H](c2ccccc2)c2nccs2)c2ccccc21	774167877	YNAMEHPMVXCIEA-NRFANRHFSA-N	401.491	5.348	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2cccc(Cl)c2)n1	774319559	FQKYRAYWUBQJLI-HNNXBMFYSA-N	404.825	5.033	30	20	HKED	
CC[C@@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1ccccc1OC	775077685	MYCSSADMQJYRNO-HSZRJFAPSA-N	416.521	5.395	30	20	HKED	
CCC(CC)[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cccs1	775210557	HHIIAJCLBIOMDR-JTSKRJEESA-N	404.539	5.052	30	20	HKED	
C[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)Sc1ccc(Br)cc1	776164625	JELFPSZTHGCYEE-LSDHHAIUSA-N	405.361	5.183	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	779595647	KNHXCILJWJSDKE-KRWDZBQOSA-N	417.896	5.694	30	20	HKED	
C#CCCCCCC(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F	779886662	AUZOBNLYXLXLQJ-UHFFFAOYSA-N	417.322	5.096	30	20	HKED	
CC[C@H](C)c1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)NC3CC3)c3ccccc3n2)cc1	780305327	IQHJDWKCZRWLPU-KSFYIVLOSA-N	411.505	5.016	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CCC2	780585754	YDUPTJWJJFRFHM-GOSISDBHSA-N	422.485	5.454	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)Nc1ccccc1O[C@@H](C)C#N	780674508	ODYXCNHVEHBUCU-KRWDZBQOSA-N	421.522	5.282	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3)oc(C)c2C)cc1C#N	780959867	QDRYYJUVXJZUQV-UHFFFAOYSA-N	403.438	5.256	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccccc2Br)CC1)c1nc2cc(F)ccc2s1	789368945	IQJZOAWEYCCNII-LBPRGKRZSA-N	415.287	5.106	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cn1	792891857	WWKKUPXRVVUNSH-MLPAPPSSSA-N	413.260	5.118	30	20	HKED	
CC(C)Cc1ccc([C@H](NCc2cnc3ccc(C#N)cn23)c2cccs2)cc1	793585335	YECPMZAVNDWUIV-DEOSSOPVSA-N	400.551	5.345	30	20	HKED	
C=CCC(C)(C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	796462939	PLMGXBIPGQXSOU-UHFFFAOYSA-N	420.962	5.743	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1cccc(C(=O)c2ccccc2)c1	797568918	XXRVNAFMEDQUJW-JXFKEZNVSA-N	416.546	5.652	30	20	HKED	
CC(C)(CCC#N)COC(=O)CSc1ncnc2scc(-c3ccccc3)c12	798878979	SUXJPZPIYZMTED-UHFFFAOYSA-N	411.552	5.324	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccncc2)cs1	802053926	DJJANRRXKCODHJ-HOCLYGCPSA-N	405.376	5.111	30	20	HKED	
C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(C(F)(F)F)nc1	803067572	XUHPNSXYGOBVIW-CQSZACIVSA-N	401.388	5.277	30	20	HKED	
C#C[C@@H](NC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C)c1ccc(Cl)cc1F	805776718	VWAQRXCLSJZDNW-CXAGYDPISA-N	407.942	5.444	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)ccc1OC	806806968	RPQWGQPAACTNTJ-STZQEDGTSA-N	421.541	5.059	30	20	HKED	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)c1	814278965	JYSXOXGQPQMLRG-XSFVSMFZSA-N	407.564	5.059	30	20	HKED	
C=C(C)CN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)SC1=S	814291057	YWPMUVCYTNYOKH-NDENLUEZSA-N	411.548	5.052	30	20	HKED	
Cc1c(C(=O)Nc2cccc(Cl)c2Oc2cccnc2)sc2ccc(C#N)cc12	814355477	YAXMKGCOYFQNNW-UHFFFAOYSA-N	419.893	6.174	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(SC(F)(F)F)c1	863996101	PBPWHSPNVYGQLG-CQSZACIVSA-N	421.488	5.304	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cc(F)c(N3CCCCC3)c(F)c2)c1	864021620	AUTJTEHGSPMPLZ-UHFFFAOYSA-N	406.274	5.201	30	20	HKED	
Cc1nc(COc2cccc(C(=O)N(O)Cc3cccc4ccccc34)c2)cs1	901370978	PKKVUCXZKQTDMI-UHFFFAOYSA-N	404.491	5.215	30	20	HKED	
CC(=NOCc1coc(-c2ccc(Cl)cc2)n1)c1ccc(NC(=O)C2CC2)cc1	914572409	VUWTWVNMJBVPNI-UHFFFAOYSA-N	409.873	5.284	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2ccc(OCc3cccc(F)c3)cc2)cc1	914582164	WIWNEEWKOXYAAU-UHFFFAOYSA-N	403.501	5.044	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)nn(CC(C)C)c3C)n2)cc1	915100629	XHLAIXJBMJUKIF-HXUWFJFHSA-N	406.555	5.007	30	20	HKED	
CC(C)Oc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915352402	HTWHLRBJRWUKSG-VWLOTQADSA-N	413.521	5.493	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915353818	XUVXWVZFEDRBJF-JWQCQUIFSA-N	411.505	5.720	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)ccc1OCc1ccc(F)cc1	916152266	VABGZOJEOHYKDK-QCDXTXTGSA-N	417.436	5.212	30	20	HKED	
FC(F)(F)c1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1	916333883	XBXLNXFRYOXNPG-UHFFFAOYSA-N	417.243	5.442	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccccc1[C@@H](C)CC	916906881	KSUZBMGSHVQVTK-LAUBAEHRSA-N	406.526	5.051	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1	916910382	PLTSATQZHSUPAC-MRXNPFEDSA-N	415.474	5.080	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916977308	PRFJKSZVUQMBJE-SJKOYZFVSA-N	417.317	5.761	30	20	HKED	
N#C[C@H](C(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1)c1nc2ccccc2s1	917094237	NDRSELDPDCJTGF-YADHBBJMSA-N	423.541	5.120	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3ccc(C)cc3C2=O)cs1	917564130	XIQXINQVTWOARO-FOWTUZBSSA-N	422.481	5.324	30	20	HKED	
CN(C)c1nc2sc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2s1	919712939	RGFUOFFRRPIUKF-KRWDZBQOSA-N	418.547	5.332	30	20	HKED	
O=S(=O)(Nc1ccccc1Cl)c1cc(N=Cc2ccccc2O)ccc1Cl	920946191	QPYZKRRFFTZJTP-UHFFFAOYSA-N	421.305	5.250	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830254231	XOCNBANZXVGNBN-XZOQPEGZSA-N	400.607	5.121	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1	1831376841	WWAIGWLWBIUAJF-RXVVDRJESA-N	416.993	5.094	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(F)cc1	10829784	BJZUSZHZSOTFEM-UHFFFAOYSA-O	421.561	5.850	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccccc2)cc1	22695500	BMBAEFVWKOZFDE-UHFFFAOYSA-O	405.543	5.041	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)c(C)c2)cc1	22695561	LEJARSJJQQXHJX-UHFFFAOYSA-O	423.627	5.964	30	20	HKED	
CC(=O)N(c1nc(CSc2nc(C)nc(C)c2C#N)cs1)c1cccc(C)c1C	29674197	OIJAPDCAVPQKKF-UHFFFAOYSA-N	423.567	5.015	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1	54734354	FHJYNYZGMBILPA-QGZVFWFLSA-N	415.836	5.224	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCc1ccc(-c2ccccc2F)o1	113283595	FCWARGSRVIOJOO-LJQANCHMSA-N	414.436	5.400	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(I)cc1	195656668	NELRVWRLRFUKSU-AWEZNQCLSA-N	406.267	5.147	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](COc2ccccc2F)c2ccccc2)cc1	237209863	NLECAECHMLJTCI-XMMPIXPASA-N	403.501	5.085	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cnn1Cc1ccccc1	302944256	CEDBCNXFNZSROW-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1	303452558	DATICQLWIQGPOE-QHCPKHFHSA-N	405.542	5.362	30	20	HKED	
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	410352254	JBVBCQWZQGYDSX-MRXNPFEDSA-N	421.884	5.422	30	20	HKED	
N#C[C@H](NC(=O)CCCCC(=O)c1ccc(F)cc1)c1cccc(Cl)c1Cl	426995278	OJFVGKAUFOGDSB-KRWDZBQOSA-N	407.272	5.257	30	20	HKED	
Cc1cccc2c1CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2	429454904	QIKLVTCTHRFIHK-UHFFFAOYSA-N	411.505	5.230	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc2c(cc1Cl)CCC2=O	429505758	SIOLKMRPPCPQDJ-UHFFFAOYSA-N	418.905	5.744	30	20	HKED	
COc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1Br	433161619	KNXIGJWWWDSZJI-QGZVFWFLSA-N	402.292	5.014	30	20	HKED	
COc1ccc(-n2c(SCCCCC(C)(C)C#N)nnc2-c2ccncc2)cc1	436126671	MEPDBFXCTVKMGJ-UHFFFAOYSA-N	407.543	5.150	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1	436365468	PIXNAVJQJSJTLH-ZHRRBRCNSA-N	414.477	5.038	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1F	437477140	WRVCFFQMHQUKJG-JOCHJYFZSA-N	404.466	5.459	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	438069097	ZTRCRPGQYOQNPB-RFWXGWTQSA-N	423.582	5.536	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC4CCC4)cc3)n2)cc1	442862958	PSLTVFKGXKUERE-HXUWFJFHSA-N	404.491	5.240	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)o2)c1	445991703	MQROYHWOKPOOQL-RTBURBONSA-N	412.415	5.053	30	20	HKED	
Cc1cnc([C@@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C2CC2)s1	460337223	XJEXMUBPHJQYEM-FQEVSTJZSA-N	423.925	5.650	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)CC1	460574761	FVCHNWKBPGUQMW-VGSWGCGISA-N	418.969	5.043	30	20	HKED	
CSc1cccc([C@@H](NC(=O)c2cccc(CC#N)c2)c2cc(F)ccc2F)c1	464118136	OZHQZILMNUYQLC-JOCHJYFZSA-N	408.473	5.272	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1	464936856	DFVRZOVNHHRVAX-TYCQWZJGSA-N	400.444	5.497	30	20	HKED	
COC[C@H]1CCCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	467161917	PDJNGTVJIHGKOO-LAUBAEHRSA-N	411.933	5.276	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Cc1cccc(F)c1	468006898	VSFZRRLNYUCBCY-LJQANCHMSA-N	416.496	5.678	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cccc(OC4CCCC4)c3)ccc21	469003251	QEPPUVBCLLBBJZ-UHFFFAOYSA-N	403.526	5.203	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1	470685534	XTULJBLNTVAGOI-RTWAWAEBSA-N	420.900	5.114	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1	470918954	REYJTZDLEMBOMW-UHFFFAOYSA-N	409.530	5.545	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)o1	472687576	RBIHXPHJLHVDBM-CTNGQTDRSA-N	423.900	5.406	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1C(F)(F)F	474451673	ZQOWPVMXNCRDMA-CYBMUJFWSA-N	418.444	5.270	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCc3c(O)cccc32)cc1	476063156	LQSIHMZCTTWMBW-HSZRJFAPSA-N	412.489	5.096	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(SCc2csc(C)n2)cc1	476079895	MVGTWYXXWYZMGI-UHFFFAOYSA-N	422.619	6.848	30	20	HKED	
C=C(C)CN(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	479291739	VINFRWLRIPKRHF-SFQUDFHCSA-N	407.495	5.170	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)cs1	480571070	GVYRZPCLFFZDKU-HNNXBMFYSA-N	402.523	5.040	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(C)cc1	481361850	YVKAFPDZOZWHPX-UHFFFAOYSA-N	420.582	5.602	30	20	HKED	
Cc1ccccc1-n1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1	482344223	QTPGXFLZZSRVKQ-UHFFFAOYSA-N	424.479	5.034	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1	485748224	YXMIUEUILUWRHH-UHFFFAOYSA-N	404.539	5.202	30	20	HKED	
CN(CC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496312728	OJQXJKOHWUDBGU-UHFFFAOYSA-N	410.465	5.134	30	20	HKED	
CN(C)Cc1nc(Oc2ccc(C#N)cc2Cl)c2c(-c3ccccc3)csc2n1	498664702	ATSFSVPQIUWUHZ-UHFFFAOYSA-N	420.925	5.737	30	20	HKED	
CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C1CC1	499625770	JILORZHCENNJJB-UHFFFAOYSA-N	400.482	5.395	30	20	HKED	
CCOc1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	499674956	JMWMNUZULLHOAY-UHFFFAOYSA-N	415.493	5.052	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC(C)C	500756740	UQWPUABFLBQPDR-UHFFFAOYSA-N	416.477	5.707	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1cccc(COCc2ccco2)c1	502619225	CESKHSARDBGHRO-UHFFFAOYSA-N	405.454	5.299	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1	503658136	IQCKRORVVPBBDQ-QFIPXVFZSA-N	418.928	5.642	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc12	505338084	MYIRRNKCEYLZBE-ZDUSSCGKSA-N	407.326	5.060	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H](C#N)c1ccccc1Cl	505708333	YRJRJKFYHOHPSG-LJQANCHMSA-N	403.894	5.358	30	20	HKED	
Cn1cc(CNc2cccc(COc3ccc(F)cc3)c2)c(-c2ccc(C#N)cc2)n1	506296440	YWPBYBOSKFZZJG-UHFFFAOYSA-N	412.468	5.289	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21	506390578	YPIRIDZWBMEQEM-OXQOHEQNSA-N	423.586	5.449	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C#N)cc1	510371859	HWEKLDPUWFRESH-UHFFFAOYSA-N	402.306	5.655	30	20	HKED	
C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510522538	QFTCICQNIDSAST-QGZVFWFLSA-N	401.466	5.199	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(C)cc2)cc1	513227993	HGBAUYQNUUGNJC-DEOSSOPVSA-N	413.521	5.716	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2nc(C)cs2)cc1	513691482	DICGTGVINCELQD-HXUWFJFHSA-N	412.518	5.162	30	20	HKED	
Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	513697673	QLLRZUYAGTWIBD-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2ccc(Cl)cc2)n1	514400438	PQVCEJTZJRTFAC-UHFFFAOYSA-N	422.941	5.656	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1	517555113	RAOFJPZWAGCJCS-UHFFFAOYSA-N	419.431	5.481	30	20	HKED	
N#Cc1cc(C(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)ccc1Cl	517773844	BFGMZEPAULSSKJ-UHFFFAOYSA-N	414.317	5.187	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccccc2)nc1	518140563	ZKTSURZPLGZIOP-KRWDZBQOSA-N	403.507	5.165	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(N2CCCC2)c(F)c1	520705876	FHEZEOCTQJTHRH-UHFFFAOYSA-N	415.468	5.651	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)c1cccc(Cl)c1Cl	521293370	OCCZBPKJJBYAMJ-AWEZNQCLSA-N	410.207	5.071	30	20	HKED	
CC(C)(C)CN(CCCO)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	521657187	VOGONGHUCLOBIQ-FQEVSTJZSA-N	413.949	5.258	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc2ccccc12	521734245	MCYMRABUHYTWQD-KRWDZBQOSA-N	406.576	5.963	30	20	HKED	
CCN(Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1)C(C)C	522241804	QTTFFNUUSUJTLN-UHFFFAOYSA-N	404.539	5.164	30	20	HKED	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1	522527661	SNSXUIATHFRRST-PMERELPUSA-N	416.546	5.525	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)c3cnn(C(C)C)c3n2)c(C)o1	523960701	BOUCCMBWTZOKMA-OWJWWREXSA-N	419.529	5.091	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1	531732363	YYNKNUSGSDNLPU-JOCHJYFZSA-N	401.441	5.170	30	20	HKED	
COc1cc(CNC2(c3ccc(F)cc3)CC2)ccc1OCc1cccc(C#N)c1	533527042	NJKJAMGQPYQWMX-UHFFFAOYSA-N	402.469	5.064	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	534041434	HJWOVSKADRNULK-UHFFFAOYSA-N	416.359	5.107	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1Cl	535621267	QZOVYEPJQTUKBK-REWPJTCUSA-N	416.908	5.752	30	20	HKED	
N#C[C@@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1cccc(C(F)(F)F)c1	537341136	PJAUXGJFVRQMCZ-OAHLLOKOSA-N	405.763	5.008	30	20	HKED	
CCc1c(C)sc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1C#N	537561643	OWPPRCZYWKIOML-UHFFFAOYSA-N	403.479	5.453	30	20	HKED	
C=CCCOCCCCC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1	539515293	PQHLMDLRXYNFKT-UHFFFAOYSA-N	414.958	6.377	30	20	HKED	
C[C@@H](NC(=O)c1cn(C)nc1-c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1	541998743	FPLGUEQYECBKQY-MRXNPFEDSA-N	412.518	5.178	30	20	HKED	
C[C@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(-c2cccc(C#N)c2)cc1	542077210	HUGPGPNYLKVWOG-HOTGVXAUSA-N	417.513	5.027	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCCC1(F)CCC1	554026015	SCXSGXWTNMTYLH-UHFFFAOYSA-N	400.338	5.148	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nccc2ccccc12	556934822	XNLMPXIVKKUVAW-LJQANCHMSA-N	409.411	5.344	30	20	HKED	
COc1cccc2c1[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)CC2	562832348	CUPSZPJVTFWKOR-OAHLLOKOSA-N	420.456	5.388	30	20	HKED	
CCCOc1c(Cl)cc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1OC	569388046	NFKNOFDHHWESJE-MRXNPFEDSA-N	411.889	5.427	30	20	HKED	
N#Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cnc1C(F)(F)F	572545510	UAATWDMXPPBIPZ-MRXNPFEDSA-N	421.831	5.206	30	20	HKED	
CCc1cnccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	574240674	OITFBXWXBZVIQV-HNNXBMFYSA-N	402.306	5.564	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	575911707	RSUJGMDIQKYCNJ-ICSRJNTNSA-N	412.493	5.546	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1sc2cccc(F)c2c1COc1ccccc1	583373242	KDVBDDBPKPGSAP-UHFFFAOYSA-N	410.514	5.679	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1	583457359	AKRXFQJSEGJBHR-DJKXOVBDSA-N	415.946	5.386	30	20	HKED	
N#C[C@@H](C(=O)c1occc1CSc1ccccc1)c1nc2cc(F)ccc2s1	592974038	MQHWBGIZXOJXBG-INIZCTEOSA-N	408.479	5.811	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	601102419	JRJLOPQHHWTMKO-UHFFFAOYSA-N	416.481	5.217	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1sc2cc(F)ccc2c1Cl	603968535	YKYLYGRQKSHLMH-UHFFFAOYSA-N	412.898	6.546	30	20	HKED	
CCCN([C@H](C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccc(C#N)cc1	604038402	YYBCHWMPEMQZPI-CQSZACIVSA-N	411.354	5.168	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1	608799573	ZAZGLULLZQTFBY-QHCPKHFHSA-N	417.553	5.254	30	20	HKED	
CCOc1ccccc1CCNC(=O)c1ccccc1Sc1ccccc1C#N	609014125	RAMXKICTEKRFNT-UHFFFAOYSA-N	402.519	5.081	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1	609061126	SOUNLLYAXQOZDE-UHFFFAOYSA-N	417.509	5.133	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1Cl	609163903	CAFRPBJKAMOIPW-KRWDZBQOSA-N	402.841	5.231	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](CC)c1ccccc1	609403908	JUJDHYXPGGAEQF-WIYYLYMNSA-N	423.582	5.267	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nc(C)c(SCC#N)s1	609754222	HBPOJFAZSCCUJS-ZDUSSCGKSA-N	424.389	5.037	30	20	HKED	
N#Cc1c(NC(=O)C[C@@H]2CCOc3ccccc32)sc2c1-c1ccccc1CC2	609784343	PMFVXNYKFCADNS-INIZCTEOSA-N	400.503	5.280	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCC3)c1	610168682	YBHVUMWQVFXIOY-UHFFFAOYSA-N	415.946	5.389	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(CCC(F)(F)F)cc3)cn2)c1	611029300	VHWALTGLZUAQQF-UHFFFAOYSA-N	411.383	5.493	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c(Cl)c1	619784389	JVFPIVRCNLNNRC-UHFFFAOYSA-N	408.697	5.894	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	642281327	ZWFATKZUXBHAEF-KRWDZBQOSA-N	404.882	5.139	30	20	HKED	
C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccccc1Br	642708495	WLFQMRWYFOHQIQ-LJQANCHMSA-N	424.346	5.020	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCc2sccc2C1	642721186	HLIFTVGRQLWURA-UNMCSNQZSA-N	420.582	5.114	30	20	HKED	
C=CCN(C(=O)CCC(C)(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	643127399	QRRKHQXBXLZZDS-UHFFFAOYSA-N	405.297	6.071	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2cc(C)ccc2OC)CC1	682777800	RYTLOMWQCYIQRM-UHFFFAOYSA-N	421.585	5.205	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)sc1-c1ccc(F)cc1	726729530	HGSASAVAJMOKSD-GOSISDBHSA-N	416.477	5.858	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(O[C@@H](C)C#N)cc2)CC3)cc1	728696937	BIARMUKGTPGVFL-VUODPORTSA-N	416.502	5.322	30	20	HKED	
Cc1nc(/C=C/c2cccnc2Cl)sc1C(=O)/C=C\c1cccnc1Cl	728698567	LANKPOLAKAURSK-MKKAVFGOSA-N	402.306	5.615	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	731139330	QTCIENIMYOMXPC-NVXWUHKLSA-N	408.473	5.775	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)cc1	732899670	AMXBJXMCLMKQLC-FQEVSTJZSA-N	420.415	5.281	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	739156188	LMTINSSJFZEFAS-SWLSCSKDSA-N	421.369	5.505	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC	743478065	XMJFKCKPMUANIX-VGOFRKELSA-N	404.510	5.389	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(C#N)cc1	749847560	FQTWDUHEUFICCZ-UHFFFAOYSA-N	419.403	5.105	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COC(C)(C)CC)c2C)c1	750626623	QKLJSNNGRPEJLH-NRFANRHFSA-N	423.557	5.703	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	754532815	DIERJBIDKZOYGA-MFKMUULPSA-N	401.438	5.063	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)ccc1OC(F)F	758410959	QWLBACDPSIOUDZ-AWEZNQCLSA-N	417.412	5.075	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CCC(F)(F)F)cc1	758411365	VTACQTKGHJFQMX-JOCHJYFZSA-N	408.423	6.089	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)C(c1ccccc1)c1ccccc1	761668811	QVZYYFKNNQWJQT-KRWDZBQOSA-N	403.457	5.070	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)Oc3ccc(C#N)cc3)n2)cc1	766258504	FRWXOOFXIAGMJG-LJQANCHMSA-N	401.491	5.024	30	20	HKED	
CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccc2cc(OC)ccc2c1	772985653	LPSNNYNZGSFYMI-VWNXMTODSA-N	418.537	5.779	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)c1ccccc1	773074901	IQYGIMKCBKYYAK-MAUKXSAKSA-N	409.498	5.050	30	20	HKED	
COc1c(C)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C	773772603	XIMSFQANZKBYDN-FQEVSTJZSA-N	414.461	5.066	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1ccc2ccccc2c1	776076480	GRNUVGNRJAJKJB-XMMPIXPASA-N	412.533	5.635	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1Oc1ccccc1C#N)c1nnc(-c2cccs2)o1	778181532	NMBGLHFMXHFXHE-CQSZACIVSA-N	417.446	5.380	30	20	HKED	
CC(=O)N1C/C(=C/c2ccc(-c3ccccc3Cl)s2)C(=O)c2ccccc2C1	778519680	KDTGMHQYYAIQRC-ATVHPVEESA-N	407.922	5.697	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1	780162012	HYPVFFADVKFPRB-ZHRRBRCNSA-N	406.869	5.390	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(Cc4ccc(F)cc4)CC3)n2)cc1	783070623	DFWVBYKAERRWFV-LJQANCHMSA-N	406.482	5.157	30	20	HKED	
C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	783889898	OIMFSONLUQTWNK-UHFFFAOYSA-N	400.438	5.244	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2csc(-c3ccccn3)n2)C(C)(C)C)cc1	786644479	PXKMYWYDMSFQSZ-UHFFFAOYSA-N	407.539	5.211	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2cc(Br)ccc2F)c(-c2ccccc2)n1	788357331	YCMCBKDZMMJWLP-YFHOEESVSA-N	424.273	5.261	30	20	HKED	
N#Cc1cc(NC(=O)C[C@@H]2CCCOC2)ccc1Oc1ccc(C(F)(F)F)cc1	793578992	OQWCZSPDXUZCJF-AWEZNQCLSA-N	404.388	5.125	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)NCCCCC(F)(F)F	794973513	IDOXHNATCGIUET-UHFFFAOYSA-N	407.461	5.678	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1sc2ccc(C#N)cc2c1C	796624856	URULPXSGJBUTKJ-HNNXBMFYSA-N	420.534	5.390	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)cc1C#N	799338817	CPKBXKNKQUWWLX-UHFFFAOYSA-N	423.472	5.137	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cnn(C3CCCC3)c2)cs1	799896013	LUQMHHDDRYGBPB-FMIVXFBMSA-N	420.538	5.344	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	800509671	VALQOQBQSKHGNY-UHFFFAOYSA-N	410.481	5.586	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1	801613641	WEDSIGMICLPRCH-INVSNAKLSA-N	421.544	6.285	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Oc3cccc(Cl)c3C2=O)cs1	811699198	PBBOAOWZCDRJNB-VCHYOVAHSA-N	410.882	5.406	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCC[C@@H]4[C@H]4CCOC4)c23)cc1	814761833	XKIOTHOGZYXEKQ-FUHWJXTLSA-N	422.554	5.362	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1ccc2ccccc2c1OC(F)F	814910780	GXPVLWQYAAASTE-UHFFFAOYSA-N	411.437	5.191	30	20	HKED	
CC(=O)N(c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1)C1CC1	815160136	QNWVKATZIXKDOO-UHFFFAOYSA-N	411.505	5.265	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1	915086240	IRCBKQGYGVTCDF-OAQYLSRUSA-N	412.449	5.077	30	20	HKED	
Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)cc1	915701590	YFQRMAGBKXOQEO-UHFFFAOYSA-N	410.477	5.375	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2cccc3ncccc23)cs1	915964895	UESBQCIBDLCVNT-UHFFFAOYSA-N	415.522	5.439	30	20	HKED	
COc1cccc2cc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)oc12	916276879	MEQJXHDMUNZNRS-UHFFFAOYSA-N	419.293	5.178	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1nc(-c2sccc2Br)cs1	916420638	RMQVYBAEWOVYOM-AATRIKPKSA-N	416.325	5.158	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	916922589	HDTBOVBUACNCFB-IRXDYDNUSA-N	424.566	5.259	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3ccccc3C2(C)C)cs1	920070628	XVZSHFSYTIDISX-UDWIEESQSA-N	406.482	5.524	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)n2)cc1	920139151	NZRNQSVCHJDWFD-IJEWVQPXSA-N	408.445	5.364	30	20	HKED	
CCOc1ccc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1OC	920398884	GCQSVENNIYDJCI-UHFFFAOYSA-N	422.268	5.001	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1SC(F)F	921185337	ONIRFUIYEJBOOE-UHFFFAOYSA-N	416.293	5.686	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncccc34)CCC2)cc1	1791247663	FENMPNLSBVWYLV-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1	1829066010	LJHFDCOBLAIKPX-JOCHJYFZSA-N	414.590	5.122	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832372080	QBUQHSNJWJQLLY-BIHRQFPBSA-N	414.634	5.201	30	20	HKED	
C=CCn1c(SCCc2ccccn2)nc2scc(-c3ccccc3)c2c1=O	10310798	HRSUGVUPRVPGPK-UHFFFAOYSA-N	405.548	5.041	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(C)c(F)c2)cc1	15247832	CDFDUVXJZLEZGJ-UHFFFAOYSA-O	407.534	5.425	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1	22122716	PGJDZICFBNAIDV-UHFFFAOYSA-N	420.563	5.184	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)nc2)nnc1-c1ccc(Br)cc1	24015577	JLZHJKKEDYWOSG-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	41558072	AUMJUZREYSRBDW-LLVKDONJSA-N	414.462	5.415	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-]	46861634	QUQBLSWKZBAZPC-LJQANCHMSA-N	405.841	5.464	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	55823718	ZPSQNAGIDTVDSO-UHFFFAOYSA-N	414.505	5.509	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1	195640889	FFAWASCNGMGZDZ-UHFFFAOYSA-N	418.443	5.187	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCSc4ccccc43)c2)cc1	303574267	CEVHEWPUTXBEEN-JOCHJYFZSA-N	400.503	5.104	30	20	HKED	
N#CCSc1cccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)c1	429853548	SKWKVMOQNUMVPY-UHFFFAOYSA-N	400.475	5.489	30	20	HKED	
COc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1Br	432982124	BFSFIABANVTELF-QGZVFWFLSA-N	402.292	5.014	30	20	HKED	
Cc1nc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)oc1-c1ccc(Cl)cc1	435546764	WSCJVODSGUIZOM-UHFFFAOYSA-N	424.888	5.284	30	20	HKED	
CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccnc1	435678292	NYTSDENARPAFNC-QHCPKHFHSA-N	419.912	5.564	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)c(OC)c2)c2ccccc2Cl)c(OC)c1	440821837	SABWMANWXXRQEL-DEOSSOPVSA-N	422.912	5.117	30	20	HKED	
COc1ccc(-c2nn(Cc3ccccc3)cc2CNCC2CCC(C#N)CC2)cc1	441380396	KUNSRQMYAZLTEQ-UHFFFAOYSA-N	414.553	5.027	30	20	HKED	
COc1ccc(-c2nnc(S[C@@H](C)c3cccc(C#N)c3)n2Cc2ccco2)cc1	442914145	RRAXPQIPPLDBNA-INIZCTEOSA-N	416.506	5.320	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)c2ccccc21	444092408	DEUSXYWNJHHMKF-UHFFFAOYSA-N	403.873	5.036	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC=C(c2c[nH]c3cc(C)ccc23)CC1	460567547	YGMKXCTWPZEYSP-FDDCHVKYSA-N	417.557	5.035	30	20	HKED	
N#CCCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	462587050	CBTVYVJIMPOBBG-GFCCVEGCSA-N	406.248	5.138	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc2cc(C(F)(F)F)ccc21	464472387	OTQJSHFHQQFXTR-ZDUSSCGKSA-N	411.305	5.101	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(=Cc2ccccc2F)CC1	464900657	WDNCHTLKDIEVON-GOSISDBHSA-N	423.557	5.195	30	20	HKED	
CCN1CCC(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	466101557	PLICGORPNZZBDV-JOCHJYFZSA-N	424.976	5.239	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC(C)(C)C1	467170427	PLCACWNCCWFRMS-UHFFFAOYSA-N	405.542	5.622	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCc1ncc(-c2ccc(Br)cc2)o1	467263169	PPXMUJDTPPZGFN-UHFFFAOYSA-N	412.287	5.375	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)cs1	468233954	IYKXASMGDBFELR-AWEZNQCLSA-N	414.490	5.136	30	20	HKED	
Cc1sc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c(C#N)c1C	468539455	BLCGREQAIDYYTD-UHFFFAOYSA-N	422.293	5.363	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC	470517292	GHYUHEFMMCGEIY-INIZCTEOSA-N	415.921	5.069	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3ccccc3)c3ccc4ccccc4c3)o2)c1	471669242	PLMQEWMCNKMHNR-SANMLTNESA-N	416.484	5.641	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)c2ccccc2F)CC1	475547049	NFTCLDFXLLXYTR-UHFFFAOYSA-N	423.532	5.058	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1	475556363	PZIJHRMWWNFWSW-UHFFFAOYSA-N	405.542	5.693	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1	476124282	SZSKAFWVJNMIOP-UHFFFAOYSA-N	406.570	5.909	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](c1cccc(C)c1)c1ccccn1)c1ccc(F)c(F)c1	477735226	BGTCIFFZXABYBK-XZOQPEGZSA-N	407.464	5.374	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)c(F)c1	477738237	ABEKYLDOXWYKEV-CYBMUJFWSA-N	416.312	5.108	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	477755132	NYWSNKGSJZXEBA-DZGCQCFKSA-N	419.419	5.508	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc2c(cc1Cl)OCCCO2	479932371	NVQUAGWORGYUKC-UHFFFAOYSA-N	413.326	5.436	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(SCCC(=O)OC)c1)c1ccc(F)c(F)c1	480968072	XAMPNMDRBWCGMX-FQEVSTJZSA-N	420.481	5.059	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(CC)cc3)n2)nnc1-c1ccccn1	481378055	UZEQHJDBULSWFN-UHFFFAOYSA-N	419.579	5.504	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1cccs1	481393933	RXPNGKXAGGEXGZ-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481625821	NEGCTGBBUQSPKV-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccco1	482498076	IDIMUKUBABBONJ-UHFFFAOYSA-N	410.543	5.277	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483209121	JJXYQUITRVETPW-HNNXBMFYSA-N	422.366	5.102	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCCc4cc(OC(F)F)ccc43)c2)cc1	483464112	KPOMZDIPKDODDE-UHFFFAOYSA-N	420.415	5.545	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(C)(C)C#N)cc3)n2)cc1	483471194	ITLXEUOZKZZOGC-LJQANCHMSA-N	401.491	5.110	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nc(C3CC3)cs2)c1	483656958	RLPDCJWAODIQOY-UHFFFAOYSA-N	409.898	5.268	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Br	484264575	ODBMMXBKXNEGAZ-UONOGXRCSA-N	419.344	5.249	30	20	HKED	
CC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)nc1C	486240451	IDJPTJNYGDOROV-UHFFFAOYSA-N	419.868	5.471	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cn2)o1	487421774	VDJNZBMVLVEYIE-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H](C)c1ccc(C#N)cc1	497620532	ZMRYRVRVCUFTAB-CQSZACIVSA-N	400.404	5.210	30	20	HKED	
N#Cc1cc(C(=O)N2CCCCC[C@H]2/C=C\c2cccs2)cnc1C(F)(F)F	499054185	IRNULJBKMYRDCT-PTZVLDCSSA-N	405.445	5.132	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)C1CCC(C(F)(F)F)CC1	500192779	UKIMQNMAVTYZBC-UHFFFAOYSA-N	401.322	5.464	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1	505011490	WIBPUWSHERKZNS-HXUWFJFHSA-N	415.331	5.173	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1	505034223	BNYZZEUJYUCQRB-QFIPXVFZSA-N	406.917	5.502	30	20	HKED	
N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2	505093242	NJZLIWVQYIYAPO-MSUUIHNZSA-N	401.535	5.597	30	20	HKED	
N#C[C@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)c1ccccc1F	505960650	QFIXHVIWSNZBQS-NRFANRHFSA-N	400.409	5.146	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1	506086185	PAGQCEBBTAQRRP-UHFFFAOYSA-N	419.481	5.035	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccnc2)C(C)C)cc1	506781452	QPCNROVALPFOSU-UHFFFAOYSA-N	416.481	5.197	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1Cl	510007208	SZUALHOYCIHMGN-UNMCSNQZSA-N	421.953	6.426	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	510289459	XPJZLSDWHMYOET-LBPRGKRZSA-N	411.811	5.378	30	20	HKED	
COc1ccc(Cl)cc1N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1	510742457	CCRVRDOMNWZOKF-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(OC(F)F)cc3F)c2)cc1	512447182	QZGCCKWYUDVXSJ-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ncc(Cc2ccccc2)s1	513552337	ATYNQFKNHDHYOI-UHFFFAOYSA-N	409.559	5.122	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(F)cc1	513653926	HXVVBPFVGXYTNH-INIZCTEOSA-N	404.470	5.235	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc2ccccc2s1	513730309	XZIHNNAPSOQWDS-HNNXBMFYSA-N	415.440	5.405	30	20	HKED	
COc1ccc(C(C)=O)cc1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	514650216	JQSRZOIUWLLZEG-QGZVFWFLSA-N	424.566	5.163	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1C	515587761	BPUXRRFLEKADSG-UHFFFAOYSA-N	418.341	5.375	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	517508974	UUNSDTUEOXWBTK-MWTRTKDXSA-N	411.461	5.197	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccc(C#N)cc1	517977302	WJWGEYYQIHWPEH-DLBZAZTESA-N	403.457	5.611	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1	518522996	TTYMVQNZWAZAMH-FXAWDEMLSA-N	404.963	5.267	30	20	HKED	
N#C[C@H](C(=O)c1sccc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	518869807	JAKNGSKWLCXFPY-OAHLLOKOSA-N	422.481	6.307	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)c1C#N	520351469	FGNJAHYRAUIWJY-UHFFFAOYSA-N	421.551	5.313	30	20	HKED	
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	521855321	KQJHABFIQGMNPJ-SFHVURJKSA-N	415.493	5.262	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)CCCCOc2cccc(C#N)c2)c1	521977293	ASFMMIGPVWOZIE-UHFFFAOYSA-N	400.478	5.422	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	522342609	FSTSDCSNYUJHSF-FXAWDEMLSA-N	400.453	5.508	30	20	HKED	
COC1CCC(N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	523768058	DFOHSJXFQQHJMR-GZNCHQMQSA-N	411.933	5.417	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C34C[C@H]5C[C@@H](CC(F)(C5)C3)C4)c2)cc1	531691152	CXGLMELZUZTIAL-QJMPUOCTSA-N	418.512	5.579	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)c(C#N)s1	534519799	FCYYAHAWDPDHJJ-UHFFFAOYSA-N	411.508	5.022	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](C2CCOCC2)C1)c1ccc(C(F)(F)F)cc1	535878828	ZDACGTVFBYDEHG-QUCCMNQESA-N	410.480	5.171	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C)C2(CCC2)C1	536735115	MFVPRUKDEJFNDK-IBGZPJMESA-N	403.526	5.490	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1nn(C(C)(C)C)cc1C#N	541005986	SWTZVODEIFCLKS-UHFFFAOYSA-N	418.284	5.032	30	20	HKED	
CCOc1ccc2nc(-c3ccc(NC(=O)N4CCC(CC#N)CC4)cc3)sc2c1	541045321	VLWSRRFICYWQBI-UHFFFAOYSA-N	420.538	5.520	30	20	HKED	
Fc1ccc2oc(CN[C@@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)nc2c1	542943423	MWLZZXYCSKGFAS-HNNXBMFYSA-N	408.273	5.259	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	543594183	FZIGERKSWRVJNM-ZTNFWEORSA-N	413.518	5.119	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Cl)cc(F)c1Br	551636154	AILRGNZCCRBXJM-UHFFFAOYSA-N	410.714	6.346	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1csc(-c2ccccc2F)n1	554871019	MTRXQSSVDRGWTI-UHFFFAOYSA-N	409.873	5.146	30	20	HKED	
O=C(O)C[C@H](NCc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1	559981962	WLSOPVZPCUJFMQ-HNNXBMFYSA-N	409.301	5.169	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NCc2cnc3c(C#N)cnn3c2)c2cccs2)cc1	566927815	RIRCHEVRPXYVHG-KSFYIVLOSA-N	401.539	5.055	30	20	HKED	
CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589363521	CXCSCUMVLYAMSC-DEOSSOPVSA-N	412.493	5.533	30	20	HKED	
C=CCn1c(S[C@@H](CC)C(=O)c2ccc(OC)cc2)nnc1-c1ccccc1F	594418251	SHSXOFDMKOHLQZ-IBGZPJMESA-N	411.502	5.032	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	608785997	INTJRTRJRFUSKD-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1csc(Cc2ccc(F)cc2)n1	608870650	LVOYEKLUILAPKV-UHFFFAOYSA-N	407.514	5.043	30	20	HKED	
COc1ccccc1CCN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208561	TXFAPZYIGDXALO-UHFFFAOYSA-N	401.466	5.066	30	20	HKED	
CCOC(=O)c1sc2cccc(F)c2c1CNc1ccccc1SCCC#N	609385781	KICKEWGAVYVHOT-UHFFFAOYSA-N	414.527	5.835	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1	609435227	ZIEAZPJBIARMRZ-FQEVSTJZSA-N	415.562	6.315	30	20	HKED	
CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609578767	IMMMYIPUQWOOHZ-HSZRJFAPSA-N	400.482	5.607	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609641671	CFIAWNUJEMTKCP-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
N#CCn1c(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc2ccccc21	610791228	SNJJWUOEWSQOMB-UHFFFAOYSA-N	409.411	5.113	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)c(Cl)c1	611094080	DPCUECBEKZGCCL-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	619429009	HQLNPIAXBFGZDC-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1C	642281993	AJZAYDAICSMQAP-ZDUSSCGKSA-N	420.412	5.131	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1Cl	726463052	UKPGDPPYYMIWRL-UHFFFAOYSA-N	421.913	5.665	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C	726698882	IINPXVZFVDXCOL-UHFFFAOYSA-N	421.541	5.247	30	20	HKED	
C[C@H](c1cccs1)N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S	726801650	JCOHTNAQHHPPPX-QFGUUYLXSA-N	414.577	5.393	30	20	HKED	
N#Cc1cccc(OCC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)c1	728184018	WHQRIUXGQSKLNN-UHFFFAOYSA-N	413.408	5.055	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)sc2c1	729185086	NKUBMEVNHIUSNC-OAHLLOKOSA-N	406.894	5.858	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(OCC(C)C)cc3)c(=O)c2c1-c1ccccc1	730141328	HIBZRWBXFTVNLB-UHFFFAOYSA-N	417.534	5.350	30	20	HKED	
Fc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3nc4ccccc4s3)o2)cc1	730548164	CHOUIWBMMWMMAJ-UHFFFAOYSA-N	421.482	5.125	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1	730686006	LFQGPGLKDRQXBO-DNVCBOLYSA-N	400.862	5.241	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2C)cc1	731024594	ALLMITOSFRAQGE-MRXNPFEDSA-N	419.550	5.607	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	731199297	WIRPYPRKGHEWQJ-FQEVSTJZSA-N	407.514	5.326	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)nc1	731988743	FKSFZXPSBIUKCS-UHFFFAOYSA-N	402.504	5.108	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3nc(-c4ccccc4)cs3)c(Cl)nc21	732571588	SUQLWECADODMNS-HJWRWDBZSA-N	408.914	5.685	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1	732900506	QGPMBHYISHMDOY-LJQANCHMSA-N	406.388	5.027	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C/c2cccc(OC3CCCC3)c2)c1	733775454	VWEUEUDJDURNTK-ARKBFRDHSA-N	404.510	5.019	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1	733798391	UMHYETCKWPHADT-NOZRDPDXSA-N	413.521	5.146	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc(-c2ccncc2)cs1	734081173	GHBYNJYBOHFXID-QGZVFWFLSA-N	419.893	5.267	30	20	HKED	
C=CC[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1	734457041	FSUSHQPXBIQQFI-BDUNBXCCSA-N	414.349	5.566	30	20	HKED	
C=CC[C@@H](NC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccncc1	734654725	XCSOTOJBAKHMCQ-SAFMLVNHSA-N	409.533	5.295	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	735569763	YBKAADOCLGVDKU-UHFFFAOYSA-N	414.893	5.069	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	739156510	YRRKOZXGGMOSGD-IFXJQAMLSA-N	416.493	5.405	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038391	SMEJNJPDHVAFOS-HCYCVZQXSA-N	419.353	5.730	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1C(F)(F)F	744370661	FGBMMBSVQDWCBJ-UHFFFAOYSA-N	418.378	5.440	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Oc3ccccc3)ccn2)cc1	745948259	YFLMOSLKEADVCI-VGOFRKELSA-N	413.477	5.349	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)N[C@@H](C#N)c3cccc(Br)c3)ccc2c1	749615188	KXYIJMMMQAYQAY-ISPXXFMDSA-N	421.294	5.005	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1ncc(-c2cccc(Br)c2)o1	754280530	UKSMRSMESGLWOK-UHFFFAOYSA-N	423.213	5.256	30	20	HKED	
C#CCOc1ccc(NC(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)cc1	759498216	OZLOPOGGTXFIFH-QGZVFWFLSA-N	405.523	5.355	30	20	HKED	
CC(=NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1cc(Cl)sc1Cl	763187860	YPBZAOPOHPSRLX-UHFFFAOYSA-N	404.269	5.061	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2[nH]ccc2c1)C(=O)Nc1ccccc1Oc1ccccc1	765916965	WFYLXKLFXAGCIC-ZOXUKVPXSA-N	421.456	5.321	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2[nH]ccc2c1)c1nc(-c2c(F)cccc2F)cs1	765929103	JWFDQWXJZVGKDI-ZQMJAJRESA-N	405.429	5.459	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1	767834822	CHUNGJGOKLKNJC-INIZCTEOSA-N	423.513	5.429	30	20	HKED	
COc1ccsc1C(=O)/C=C/c1cc(Br)c(OC(F)F)c(OC)c1	769745029	VXBKGQTXQGEKGT-ONEGZZNKSA-N	419.243	5.025	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCc2c(Cl)cccc21	776076513	HAUHCWAQVXFWFK-ZIAGYGMSSA-N	407.684	5.024	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc4[nH]ccc4c3)n2)cc1	776084216	KDINGJUYPOYIIV-LJQANCHMSA-N	401.491	5.109	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccc2ccccc2c1	777575091	PLUQXSICNJQAFD-LBPRGKRZSA-N	401.413	5.245	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3cc(C)sc3C)n2)cc1	783360803	HZYXPQIQKQTRIV-SFHVURJKSA-N	424.547	5.336	30	20	HKED	
C/C(=C\c1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787051343	HRNRJIYGTXAMQB-NXTYKEFDSA-N	419.283	5.122	30	20	HKED	
CC(F)(F)CCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	797228690	WVQCTLAYUHPYPX-DGWNHINDSA-N	422.356	5.697	30	20	HKED	
C=CC[C@H](OC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1	797554420	JIBRQZVZYRNNMO-SFHVURJKSA-N	413.322	5.012	30	20	HKED	
C=CC[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)c(Cl)c1	797554422	UQJPWHSGSMWNHG-GOSISDBHSA-N	418.276	5.121	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1	798816105	HKKVCBCOBPDPHA-IFXJQAMLSA-N	416.443	5.281	30	20	HKED	
N#CCSCCCOC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	805325522	VMYBCUFTRVQPIJ-FOCLMDBBSA-N	404.491	5.118	30	20	HKED	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813217895	QEDUVXJVBYCCSL-CJNGLKHVSA-N	414.349	5.564	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	815925512	HLIOULKMOTWLJE-LLVKDONJSA-N	422.815	5.136	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C3/CCOc4ccc(F)cc4C3=O)c2)cc1	861416655	VXNBFCYIODPHKX-AQTBWJFISA-N	417.436	5.135	30	20	HKED	
CC(=NNc1cnnc(O)c1Cl)c1ccc(-c2ccccc2Br)s1	914695520	ZAMKVMOLOOXHJQ-UHFFFAOYSA-N	423.723	5.163	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1	915086407	KDCWOPOJKIOTCQ-IBGZPJMESA-N	404.853	5.019	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(F)F	915088434	RNICMXYYABIQSP-IBGZPJMESA-N	408.404	5.204	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1cc2cc(Br)ccc2o1	915984678	BEPLJLBRAZDGRI-WAYWQWQTSA-N	411.280	5.610	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C#Cc2ccccc2)cc1	916911180	ZOYMWRZUGPXQAS-VWLOTQADSA-N	420.512	5.172	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccc(F)cc2)o1	916944864	OSXVDXFLGVTXNE-INIZCTEOSA-N	417.223	5.354	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(-c3nccs3)c2C)cc1	916953473	CLWKXAXHGNFIDI-JLTOFOAXSA-N	420.538	5.025	30	20	HKED	
Oc1nc2ccccc2cc1/C=N/C1CCN(Cc2cccc(C(F)(F)F)c2)CC1	917557251	COQXABVLGSVBOH-MZJWZYIUSA-N	413.443	5.043	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CSc3c(F)cccc3C2=O)cs1	917560441	YOTJEZKIUVWRLK-XNTDXEJSSA-N	424.522	5.647	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CSc3ccccc3C2=O)cs1	917562819	KPOQVBAQUXVGGU-UVTDQMKNSA-N	410.495	5.339	30	20	HKED	
Cc1ccccc1C1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCOCC1	920024978	LZLOUTOFUAKBJA-DEOSSOPVSA-N	410.517	5.337	30	20	HKED	
COc1cccc(Cc2cnc(NC(=O)Nc3cccc(OCCCC#N)c3)s2)c1	920938074	DEVVCDBVBATEJZ-UHFFFAOYSA-N	422.510	5.069	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1F	921117920	GDCWGPJNMGNTHF-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3c(F)cccc3C2=O)cs1	921263862	KAIXSPUIAYUZRU-UKTHLTGXSA-N	412.873	5.443	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1	1789727164	YYTPJEBZJHPLFQ-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3)CCC2)cc1	1791727971	OLXHYUKMHAXMHQ-UHFFFAOYSA-N	420.578	5.106	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nnc(-c2cccs2)o1	5564959	ALDMWTUGKSUZSO-CQSZACIVSA-N	401.447	5.255	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c2ccccc12	32786739	BWOUVGZIYKARNI-UHFFFAOYSA-N	422.557	6.049	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)n(C(C)(C)C)n3)n2)cc1	51154789	JXCZHQWMBLTJAF-QGZVFWFLSA-N	404.539	5.438	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3ccc(C#N)cc3)oc3ccccc23)s1	63451083	MXNFOSUSWYCYGR-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1	65104224	DCPYSBLZWGHDNN-UHFFFAOYSA-N	418.500	5.677	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-n2cccn2)c(F)c1	108053048	GMZSMGHXKXLCEP-UHFFFAOYSA-N	414.465	5.287	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1	110986363	KDAYUCJBRREHDE-UHFFFAOYSA-N	410.521	5.011	30	20	HKED	
Cn1cc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c(-c2ccncc2)n1	141504041	PUIRQHMPWVZRKW-SREVYHEPSA-N	416.462	5.015	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	195652806	VQJRFGSZWZMWJW-FOIQADDNSA-N	424.422	5.700	30	20	HKED	
COc1cccc(CO[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	302967605	HMSFEBZLBZBHGI-GOSISDBHSA-N	416.477	5.211	30	20	HKED	
COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	303329619	SRDFBAJKUGVLKQ-QGZVFWFLSA-N	415.493	5.270	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1cccc(OC2CCCC2)c1	303369663	SEHXOPJBZBHPPA-GOSISDBHSA-N	408.567	5.974	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1	303618870	WQGARNNSUGCDCU-NRFANRHFSA-N	400.503	5.104	30	20	HKED	
CC[C@H](CC#N)c1cccc(-c2c[nH]c3ncc(-c4cnn(C5CCCC5)c4)cc23)n1	328578848	XRNHJEZWHKVBBL-QGZVFWFLSA-N	410.525	6.011	30	20	HKED	
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N	428890569	UYHHWKGWLJEFDA-QKNQBKEWSA-N	422.598	5.113	30	20	HKED	
N#Cc1c(F)ccc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)c1Cl	431557003	LTAZTRDKMNHQGA-XFFZJAGNSA-N	419.765	5.024	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NCC1(CC#N)CC1	432126412	LTQRITKPXMCCPK-UHFFFAOYSA-N	419.504	5.547	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NC(=O)NCC)c1C	433754108	QWCBILGAYCUHFW-UHFFFAOYSA-N	406.939	5.071	30	20	HKED	
COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1	442670564	JBPXZBYDPRGWLY-QGZVFWFLSA-N	417.515	5.432	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1NC(=O)CC(C)C	443883527	UXCKIKWCHJWPIW-UHFFFAOYSA-N	403.404	5.122	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1	447586183	MRKXJFMYJFHISS-RVSPLBMKSA-N	404.377	5.614	30	20	HKED	
Cc1ccccc1O[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1C#N	460412106	LHRMUBCHSCPOEY-GOSISDBHSA-N	402.519	5.215	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2ccccc2[C@@H]1C	460767968	DAMPORFWVPUVCJ-IGKWTDBASA-N	414.553	5.223	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCC(=O)N2CCSc3ccccc32)cc1F	463222086	HGFXINBFBXSXHR-UHFFFAOYSA-N	419.481	5.040	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2)nc1-c1ccccc1	467229960	NLHGDRFFBKWXRG-FQEVSTJZSA-N	400.482	5.706	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccccc2SC[C@H](C)C#N)c1	467760933	WTXPTAICFFBFTC-UXHICEINSA-N	420.582	5.303	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCC[C@]12CCCCO2	468138953	UOIGWBQNEQJUHK-PZJWPPBQSA-N	400.931	5.136	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CSc1ccc(C#N)cc1	469358918	SWBRPWSNKBAFSN-INIZCTEOSA-N	407.564	5.302	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)Nc1cccc(OCCCC#N)c1	471860364	DRZPECFTDRFUFW-SFHVURJKSA-N	403.486	5.127	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1	475545550	DYTVELMOTZFRKO-UHFFFAOYSA-N	411.590	5.041	30	20	HKED	
CC(C)(C#N)CCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1	475967625	VHNROKPZDRSAPV-UHFFFAOYSA-N	400.935	5.662	30	20	HKED	
CC(C)CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(C#N)cc1	480100378	PRTJRSQODACMOB-UHFFFAOYSA-N	409.489	5.312	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cn[nH]c3)CC2)cc1Cl	480352099	CZAGLUHTDZHNSH-NRFANRHFSA-N	419.916	5.130	30	20	HKED	
CN(C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCC(F)(F)CC1	481324101	WPYHPUXZIMMKLT-CYBMUJFWSA-N	418.328	5.528	30	20	HKED	
Cc1ccc(F)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	481798146	SQGGZQDUTRSHRL-UHFFFAOYSA-N	412.408	5.176	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nccc2ccccc12	483217466	NCDMMRXUTIMVLN-HSZRJFAPSA-N	415.452	6.047	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)c1	483286674	XOZNOFXZTFOLOM-QFIPXVFZSA-N	420.509	5.148	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N[C@H](CCCC#N)c3ccccc3)s2)c(F)c1	487261541	AIOLACNBZAZWCX-HXUWFJFHSA-N	423.513	5.431	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccn2)c1	499861451	PJMWHXHZLLCHKE-HXUWFJFHSA-N	410.399	5.192	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc(Cl)c1OCC(C)C	499919593	YIWUFYOWAQHPIE-KRWDZBQOSA-N	407.297	5.031	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cc3ccccc3s2)cc1C	502022543	HOWHVWYCSVYEQK-UHFFFAOYSA-N	414.534	5.225	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1	503703613	RURCBPAVBJDNGY-OAQYLSRUSA-N	418.585	5.142	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](COc4ccccc4)C3)c2)cc1	506913607	FJVBCEGWFQLGEU-HXUWFJFHSA-N	413.477	5.283	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)NCCC2=CCCCC2)cc1	507823044	DWAHNBXBTXNDNG-GOSISDBHSA-N	419.525	5.166	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)ccc1OCC(F)(F)F	511620399	NTJDUDQUDSHUER-KRWDZBQOSA-N	423.822	5.522	30	20	HKED	
Cc1ccc(C)n1C1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1	514234315	MSLWFLBEBBEOEC-UHFFFAOYSA-N	413.521	5.033	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccsc1	515333428	PFKGVOVHPVRQKM-KRWDZBQOSA-N	412.584	5.168	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c(F)c1	515521184	RHJPMGJDNFHBFS-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccccc2Br)cc1	515648962	BSKYGPJOGWGKNM-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1	517454746	HMPAWPQUGSNLKQ-XOKHGSTOSA-N	415.356	5.443	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@H]2CCCO2)CC1	517761049	FZSIONPEGRPHEJ-NFBKMPQASA-N	424.589	5.006	30	20	HKED	
CCCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC	517781245	ZILFMIRGDBYTGD-GOSISDBHSA-N	409.530	5.037	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2ccco2)s1	518668621	HTABMWZUDYGXTI-UHFFFAOYSA-N	423.441	5.680	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1cc(Br)cs1	519515661	QHVAKVAAFDJFEB-GFCCVEGCSA-N	409.374	5.476	30	20	HKED	
COc1cc(OC)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1Cl	520325970	FDWPJUZDUVKWKB-UHFFFAOYSA-N	422.868	5.468	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C	520809003	AHXIUDMEHNDSNW-IBGZPJMESA-N	423.532	5.369	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)ccc1Br	520836972	GIYWXQPIZOCNBQ-LLVKDONJSA-N	409.736	5.607	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCC2CC2)cc1)c1nc(-c2c(F)cccc2F)cs1	521261597	VMQLIYPAJRJNBO-MRXNPFEDSA-N	410.445	5.367	30	20	HKED	
CCOCc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	521365926	FXTVHGUBRLAOLE-UHFFFAOYSA-N	401.466	5.209	30	20	HKED	
CCCc1noc(CCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	521475269	ZYBWKBNAMCKANC-LJQANCHMSA-N	422.916	5.292	30	20	HKED	
C=CCCCCCN(C)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	524838043	ZRHBTOZOLGAPBB-GOSISDBHSA-N	411.521	5.527	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F	525542815	ILFPJVOSZABPDK-OAHLLOKOSA-N	406.404	5.322	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc2ccccc2s1	526958512	HHTALDNPJDVPOS-CABCVRRESA-N	423.563	5.111	30	20	HKED	
N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1Cl	530458741	XITXWFRXIRSWJL-HXUWFJFHSA-N	408.864	5.108	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C	531896355	GPWQCDJOAUQKHY-UHFFFAOYSA-N	401.507	5.040	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1Cl	534928781	TZWOKWWUGIQEQL-INIZCTEOSA-N	412.836	5.370	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C1CC1	535504516	NBNIEJLVMPZSMN-QGZVFWFLSA-N	414.509	5.434	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1cc(Br)ccc1F	536187233	RFZCFZZIDMCAML-ZDUSSCGKSA-N	421.335	5.554	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541075498	CWTPAJSTUTZCBT-OALUTQOASA-N	413.521	5.302	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)oc2c(Br)cccc12	541096251	WLBITCYGEOSFJZ-GFCCVEGCSA-N	423.188	5.408	30	20	HKED	
C[C@@H](SCc1ccc(CC#N)cc1)c1nc(O)c2c(-c3ccco3)csc2n1	541292480	MWFLNRDBOGPEIR-CYBMUJFWSA-N	407.520	5.717	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1N1CCc2ccccc21	554391994	AQOIJRASLICCQM-UHFFFAOYSA-N	417.509	5.076	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2SC2CCCC2)CC1	554570251	GQFCSHFQTFRKEU-UHFFFAOYSA-N	406.555	5.206	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1Cl	558512086	RXOLMENOCCQFMW-UHFFFAOYSA-N	422.872	5.119	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1Cl	573990642	AWGVTKMDTFMLPP-UGKGYDQZSA-N	419.916	5.478	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)cc1	578697934	ZDXUYZAGUVAVRJ-UHFFFAOYSA-N	415.280	5.026	30	20	HKED	
Fc1ccc(OCc2nc(CN(CCC(F)(F)F)CC(F)(F)F)cs2)cc1	578713135	JQDMVMYUUTVZIE-UHFFFAOYSA-N	416.362	5.178	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)s1	582197114	MWQMSOGEKKBQOB-SFHVURJKSA-N	403.507	5.183	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1	603638066	KCNSBWPDIQLKBY-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	605050887	IUTZZGZJOIQJPY-NSHDSACASA-N	422.291	5.206	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Cl)c(NC(C)=O)c1	606773519	NEGCRTSEUIOKQI-UHFFFAOYSA-N	412.795	5.134	30	20	HKED	
COCc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609063273	VFHZDYAYZLERMS-UHFFFAOYSA-N	406.869	5.189	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)NCc2ccc(C#N)cc2F)C(C)C)s1	609254175	DAXOXIOLUHUKDC-UHFFFAOYSA-N	421.541	5.855	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)c(F)c1	609389283	JPCSOYYKFMHLMP-UONOGXRCSA-N	406.523	5.649	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1	610224986	SVZXAVDAOJDFRT-KRWDZBQOSA-N	404.897	5.727	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCC2CCCCC2)CC1	610325824	RIDDTOKRRSAUCU-SFHVURJKSA-N	415.603	5.532	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCCC(C)C	613392139	JODGIFDFPUPPJT-LJQANCHMSA-N	420.534	5.734	30	20	HKED	
O=C(Nc1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618539756	PHPUEOVNUHGCGC-IUCAKERBSA-N	408.264	5.300	30	20	HKED	
O=C(CCOc1ccc(F)cc1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485522	PRTGVKCIWHKCLF-INIZCTEOSA-N	409.301	5.033	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(C)cc3)no2)nnc1-c1ccc(F)cc1	642252593	FRJKKDSTFLBMRV-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
Cn1ccnc1[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(F)c1	679580351	HBRVOYFXGBVFSJ-HEHGZKQESA-N	423.376	5.148	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c3ccccc3n2)o1	682994924	LKUDIQBTJUUSHE-OAQYLSRUSA-N	403.441	5.842	30	20	HKED	
C[C@@H](NC(=S)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccs1	726479979	CKXUUMMDLTZURL-MRXNPFEDSA-N	409.555	5.397	30	20	HKED	
C[C@@H](c1cccs1)N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S	726801651	JCOHTNAQHHPPPX-RAOBZKRQSA-N	414.577	5.393	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1	728694632	DRDYBDVGTOWOHG-WNSCPLKPSA-N	410.498	6.011	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccccc3SCC#N)ccc21	729410780	WETHQRKUFGFXTE-UHFFFAOYSA-N	423.538	5.242	30	20	HKED	
COc1ccc(Cl)cc1CON=C(Cc1nc2ccccc2n1C)c1ccccc1	731664593	SUWBTPGJFCDKFZ-UHFFFAOYSA-N	419.912	5.399	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSC[C@@H]1OCCc2ccccc21	734510636	CXUVDCHWAGTVEK-UZLBHIALSA-N	412.580	5.067	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	735576776	FEFNCGNBJXMMQR-UHFFFAOYSA-N	405.495	5.454	30	20	HKED	
CCCCCCCCCN(C)C(=O)c1cc(O)nc2ccc(Br)cc12	737514684	AJAUMSGLPYGLRV-UHFFFAOYSA-N	407.352	5.526	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	739143599	RQXWGNVMNXMFHS-ACJLOTCBSA-N	412.411	5.266	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)cc1C	741058551	DVKZIKMSJZJPRJ-AREMUKBSSA-N	409.533	6.155	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	742526704	SEYISOTYRPZJCS-UHFFFAOYSA-N	407.514	5.266	30	20	HKED	
CCCOc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	744030523	HCLGUPDXNUHILL-KRWDZBQOSA-N	419.308	5.062	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c12	744034645	JNYXVSMHFIYLKE-LJQANCHMSA-N	419.937	6.062	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)c(Cl)c1	744517273	VHFTVUGCXAGVLZ-MRXNPFEDSA-N	418.880	5.371	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1	747113523	KZVZWDRREASETO-MRXNPFEDSA-N	421.472	5.687	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(C(F)(F)F)cc1	748623099	INOXWFQFHDULGG-GOSISDBHSA-N	409.383	5.266	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1cc(C)c(F)cc1F)[n+]1ccc(C(CC)CC)cc1	748990005	CEEZUJGUUBNHPN-UHFFFAOYSA-O	417.545	5.451	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SC)c(OC)c2)ccc1OCC(F)(F)F	750908361	FUFZUPKOEVOGIP-QPJJXVBHSA-N	412.429	5.263	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C[C@@H](C)c3ccccc3C2=O)cs1	751534230	CHARSZURUSQGLS-APVMCDBPSA-N	402.519	5.910	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](c3ccccc3)[C@@H]2C)c1=S	751603209	AGZVPGFOJBHPMR-AZUAARDMSA-N	420.582	5.111	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cccc(F)c3)CC2)cc1	752635295	FAAIJHTUWLFSCL-RUZDIDTESA-N	413.496	5.893	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)N4CCC[C@](C)(C#N)C4)cc3C2)cc1	752772376	NDEYVIXIIANLSU-RUZDIDTESA-N	402.542	5.488	30	20	HKED	
N#CCSc1ccccc1NC(=O)COC(=O)CCCc1csc2ccccc12	756655619	XERRCCYDUQQTIE-UHFFFAOYSA-N	424.547	5.022	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc2sc(Nc3ccccc3)nc2s1	760970771	LGWIYKSUZBLLRQ-UHFFFAOYSA-N	424.482	5.395	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1	764948714	YNTCNZXPZQIGBL-JKSUJKDBSA-N	405.922	5.256	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN(C)[C@@H]2CCCc3nc(C)sc32)c1=S	764992030	UNKDFQOWHPQHFF-OAHLLOKOSA-N	417.629	5.060	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(Cl)c1	766350938	PHPIDLYSUQXMFK-CQSZACIVSA-N	402.878	5.433	30	20	HKED	
C#Cc1cccc(N(C)C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)c1	766398786	NZOJQHGIEOLRCJ-UHFFFAOYSA-N	417.896	5.550	30	20	HKED	
N#C[C@H](C(=O)CC1(CSc2ccccc2)CC1)c1nc(-c2ccncc2)cs1	770840894	HGMRADMVQCNLIH-GOSISDBHSA-N	405.548	5.344	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1OC	772980536	SEVYSCUMNQEPNS-AUSIDOKSSA-N	407.558	5.217	30	20	HKED	
C#CC[C@H](N[C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)c1ccccc1	773113643	DKJBQUDCYVLVKS-UWJYYQICSA-N	420.578	5.475	30	20	HKED	
CC[C@H](C)n1c(SCC(=O)O[C@H](C#N)C2CCCCC2)nnc1-c1ccccc1	776383159	MPAQANUMMYJUGE-QFBILLFUSA-N	412.559	5.024	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)n1	777326530	UVDYYPROUWPFJM-LMSBXDPUSA-N	417.575	5.011	30	20	HKED	
COc1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1C#N	778216291	ATVLTMIOHRGPMK-MRXNPFEDSA-N	413.237	5.113	30	20	HKED	
COc1ccc(Oc2ccc(/C=C3/CN(C(C)=O)Cc4ccccc4C3=O)cc2)cc1	783713887	WMAFYJCCEMITCX-QNGOZBTKSA-N	413.473	5.116	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc(Br)cc1	783737674	LHKOMECPPUTWGT-GFCCVEGCSA-N	406.374	5.652	30	20	HKED	
CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1	787915681	SHNHGPZAXGPQQB-UHFFFAOYSA-N	413.543	5.194	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cn(CCC#N)nc1-c1ccccc1	788351359	QRVXMNXZLKQICN-VAWYXSNFSA-N	404.539	5.422	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)ccc21	793444207	SUUNWQDSGSQTPY-UHFFFAOYSA-N	419.525	5.428	30	20	HKED	
Cc1c(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)sc2ccc(C#N)cc12	794277745	DFNVODFTCYPNRF-UHFFFAOYSA-N	408.483	5.076	30	20	HKED	
COc1cc(/C=C(\Cl)c2nc3cc(Br)ccc3o2)ccc1OCC#N	794737175	CDUSVCGNJQUBND-JYRVWZFOSA-N	419.662	5.238	30	20	HKED	
COc1cc(COC(=O)C[C@H](CC#N)c2ccccc2)cc(Cl)c1OC(F)F	796556109	HCOXEPUYGXTOOE-HNNXBMFYSA-N	409.816	5.081	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	805165022	UHELHJKAWIURBT-BCHFMIIMSA-N	405.501	5.708	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	817320124	YDXGPWRWMSYIHS-IBGZPJMESA-N	412.415	5.056	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)n1-c1ccccn1	915199727	KEYSILADYIEBKO-DEOSSOPVSA-N	406.489	5.397	30	20	HKED	
O=C(Nc1cccc(C=NNc2cccc3ncccc23)c1)c1ccccc1Cl	915964819	QBRPDCOAPXYXCB-UHFFFAOYSA-N	400.869	5.587	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccnc2)ccc1OCCOc1ccc(C)cc1	916137011	HABIVPXRKSZRQN-XYOKQWHBSA-N	403.478	5.143	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CC3)C2=O)c1	916216004	MUINTDFKOKTLKR-NRFANRHFSA-N	421.566	5.043	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C2SCCCS2)cc1	916883102	NWSSYGRISUCXAB-QGZVFWFLSA-N	416.955	5.170	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	916907277	LSHIOHSCGCEEIQ-HTAPYJJXSA-N	420.553	5.224	30	20	HKED	
N#C[C@@H](C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12	916916465	TXULQYRPXNTPOO-IBGZPJMESA-N	408.910	5.074	30	20	HKED	
Cc1cccc(C)c1OCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917044331	SILJGZJLTBWOEI-CQSZACIVSA-N	404.413	5.187	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2c[nH]c3cc(Cl)ccc23)cc1	918711271	IVGBNIYTXAEXQW-UHFFFAOYSA-N	402.310	5.241	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)cc1Br	920063872	IYSOALIWOZWBSI-ARJAWSKDSA-N	406.326	5.539	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1	1789453127	MLKJBYWYJZLXDB-QFIPXVFZSA-N	406.526	5.115	30	20	HKED	
Cc1ccc(S(=O)(=O)OCCCCCCCCCCN(C)CCN=[N+]=[N-])cc1	2382215197	JLDRZRXPKJQGEM-UHFFFAOYSA-N	410.584	5.063	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc2c(c1)CCCC2	22797054	AIWGNOXVGGURAR-UHFFFAOYSA-O	421.630	5.255	30	20	HKED	
C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc(C#N)cc1	26129779	LVZAWOBRHPWVIY-INIZCTEOSA-N	413.502	5.483	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(CC#N)cc3)cc(-c3cccs3)nc21	28437343	OUGJTBHAZKDDBX-UHFFFAOYSA-N	401.495	5.059	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccco1	28503823	LLSISDPUKSVYBK-AWEZNQCLSA-N	416.934	5.114	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCSCc1ccccn1	57002781	ROUQHERKTUDCFL-UHFFFAOYSA-N	403.507	5.316	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1csc(-c2ccc(OCC)c(OC)c2)n1	58396650	UUOPDDWMHSBBJM-UHFFFAOYSA-N	419.550	5.277	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)nc(C)n1	62675788	MPRWVCNAHPVDOI-GFCCVEGCSA-N	403.294	5.014	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCCc1nc2ccccc2s1	62888072	IPDDFOZIMBHRQL-UHFFFAOYSA-N	409.511	5.132	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1	109152961	GKPNLRKNSIDJTG-SFHVURJKSA-N	415.541	5.158	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1	111020853	XUFPAZCRDVFOFO-UHFFFAOYSA-N	419.550	5.315	30	20	HKED	
Cc1nccn1-c1ccc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1	237454179	UEWWZVLUQPNFTD-HXUWFJFHSA-N	422.532	5.482	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC(c3cccs3)c3cccs3)c2)c1	237853295	HRHRUXCZHARZDY-UHFFFAOYSA-N	416.571	6.139	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1	303750601	AFLPJIUBOPHGIC-ROUUACIJSA-N	412.892	5.036	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	428064657	REKQDCQPJTYVHT-KRWDZBQOSA-N	419.506	5.262	30	20	HKED	
Cc1c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2nn1C	428757147	DBRDXAVYNARLRT-UHFFFAOYSA-N	412.518	5.298	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430604974	RUIPDRSVHAERIQ-NSHDSACASA-N	417.893	5.687	30	20	HKED	
COC(=O)c1cc([C@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)oc1C	431105708	KJTWLVUZAXSYHR-AWEZNQCLSA-N	406.438	5.220	30	20	HKED	
CC(C)(C)Cc1nc2cc(NCc3cn(CCC#N)nc3-c3ccncc3)ccc2o1	433342914	MSPQPJCPCHBINE-UHFFFAOYSA-N	414.513	5.201	30	20	HKED	
COc1ccc(C#N)cc1CNc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	434881127	SNCIUBIBJAAATQ-UHFFFAOYSA-N	415.371	5.043	30	20	HKED	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)N(CCC#N)Cc2ccccn2)c1	435174834	WNFJMCRUDCXESN-UHFFFAOYSA-N	404.901	5.658	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	437491851	HSIZNCDAHIOCPT-KKSFZXQISA-N	401.466	5.260	30	20	HKED	
C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1	437725244	XXGMPIIDFDJOIR-LIRRHRJNSA-N	404.457	5.544	30	20	HKED	
Cc1csc([C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)n1	438027675	ASMXJPBHPINOPF-HXUWFJFHSA-N	404.495	5.388	30	20	HKED	
C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438664817	NAACKCZSSABGIB-INIZCTEOSA-N	401.441	5.468	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	439121362	YBZVDNCNDPUWPK-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
CC1CCC(OC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)CC1	444168387	HNHNLLSBIIDUTJ-UHFFFAOYSA-N	407.558	5.145	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1	447783949	WXWDBXCAKHFQPM-LLVKDONJSA-N	418.437	5.040	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1sccc1C#N	460326297	BYTXHKPMGLLARF-UHFFFAOYSA-N	418.497	5.917	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(Cl)c(Cl)c1	463192023	KIUGTEKVKJJXHE-GFCCVEGCSA-N	411.379	5.976	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	463820111	WZBDDECSCBUBSX-KOSHJBKYSA-N	401.485	5.142	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccc(CC#N)cc1	464230402	FTTLIRIGRKKFPY-UHFFFAOYSA-N	403.869	5.219	30	20	HKED	
CC(C)[C@H](C#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1	464303474	AHPQHSQMVZOOQY-KRWDZBQOSA-N	403.345	5.019	30	20	HKED	
CC(C)[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2ccccc2o1	469339250	FSBLVJBJZUCEPX-VWLOTQADSA-N	401.510	5.825	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccc(CCC(F)(F)F)cc2)c1	470525499	HYYXVLRGAOFCOH-UHFFFAOYSA-N	403.448	5.157	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[C@@H](C)N(C)Cc1ccccc1	472755759	STRDVJQELYHQLG-RTBURBONSA-N	410.587	5.113	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)cc1	475022587	JKMKJCXPCMRZLT-UHFFFAOYSA-N	407.477	5.192	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1	475542983	BJNHHBJPXZAPJX-XMMPIXPASA-N	403.501	5.984	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1(N2CCSCC2)CCCC1	475556210	PJTYMFDSSMIGBP-UHFFFAOYSA-N	401.620	5.022	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	475570709	CSKHZBBOLQNSPU-IERDGZPVSA-N	421.541	5.531	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1	475596032	NTSUBLGWENVZJP-UHFFFAOYSA-N	411.461	5.454	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2	476086868	YWFKNCHSBOQONV-UHFFFAOYSA-N	406.526	5.221	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1cc(OC)ccc1Br	476090259	JIBYIYPERYWBJT-UHFFFAOYSA-N	402.332	5.491	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(C)n1Cc1ccccc1	476784404	DPCFAOXDTNVDJH-UHFFFAOYSA-N	420.582	5.218	30	20	HKED	
CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](C)C1	476794956	OAVJLZTVWHXEOZ-LXBDKUERSA-N	424.976	5.189	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)s1	478081062	DBDLNYHNUYJOKX-SFHVURJKSA-N	415.543	6.041	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	480942822	RCLXNSVSONEFPO-GFCCVEGCSA-N	423.366	5.301	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CC=C(C(F)(F)F)CC1	482411974	VTVJMBBVIDKSLS-LBPRGKRZSA-N	420.275	5.213	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(C#N)cc1	482510182	WTHUFWMXZGXWLH-UHFFFAOYSA-N	415.493	5.203	30	20	HKED	
CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	483621537	JTDJNHYQGIQPCB-VXKWHMMOSA-N	409.555	5.241	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	484264664	OJYUQEFQLSIDMB-OAHLLOKOSA-N	424.472	6.404	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1	485716958	HNNONFNRTBQFMW-UHFFFAOYSA-N	402.519	5.219	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccccc1	487310710	BCUNYJDTBZRNEB-LJQANCHMSA-N	412.320	6.153	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c1	492083631	UVGNBBPSWVLGLD-IBGZPJMESA-N	402.416	5.190	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1	492194157	DKLZQVGXXSKKOU-SBHAEUEKSA-N	422.598	5.113	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(F)cc2F)nnc1[C@@H]1COc2ccccc2O1	497671469	OEZNAWKTWRMEJB-YJYMSZOUSA-N	415.465	5.108	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1nccc2ccccc12	498980694	STYXAHLOCJLMJF-GOSISDBHSA-N	406.363	6.004	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1	499319070	JZFCRUVBYDDQII-DEOSSOPVSA-N	416.500	5.050	30	20	HKED	
Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	502312641	LHRBKYCEIKUXKO-LJQANCHMSA-N	417.431	5.047	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1	503458377	FSYVPGCJCHLNPG-GOSISDBHSA-N	405.567	6.079	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	505336437	BUWINKOBBVPUSR-FSSWDIPSSA-N	402.519	5.120	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1c(Cl)cccc1Cl	505534406	WPVCOIUCYMCXGR-KRWDZBQOSA-N	418.305	5.024	30	20	HKED	
Cc1nc(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)sc1SCC#N	506118354	KDAGGHXJQHAOGV-UHFFFAOYSA-N	420.610	5.169	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNc2cccc3c2CN(c2ccccn2)C3)cc1	507607545	UKSMXTHCPCBMFB-UHFFFAOYSA-N	402.501	5.753	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1	512790881	UHIMCGXAGVGAOE-JTQLQIEISA-N	405.310	5.780	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)nc2ccccc21	513692449	NRCCITFZZXBBTA-LBPRGKRZSA-N	400.290	5.585	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)NCCSCc2ccccc2C#N)c1	518380996	FAHFKNHRGPIQPH-UHFFFAOYSA-N	419.550	5.105	30	20	HKED	
C=C1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1	518694274	NHDXPEAZIQXWDE-NBVRZTHBSA-N	419.506	5.314	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(-c4ccccn4)n3)c2)cc1	521493860	QKEIYBRJCPGOHY-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1	522605680	LVDMEJODSBEBKY-GDLZYMKVSA-N	411.571	5.050	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1	522843552	ZCONETFTQGTUNR-JKSUJKDBSA-N	413.974	6.492	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	523610290	KQXFGKVYFLLJIJ-UHFFFAOYSA-N	400.413	5.169	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cc1cccs1	525087581	WBXGBLHQZGEHBZ-QGZVFWFLSA-N	406.576	5.521	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)c(F)c1	531271016	BQDSFWIGFSSHCH-UHFFFAOYSA-N	416.431	5.071	30	20	HKED	
C[C@@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1cccc(C#N)c1	539499960	NQKDBPGWOQNJBO-QZTJIDSGSA-N	401.485	5.290	30	20	HKED	
C[S@@](=O)Cc1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)ccc1Cl	542187076	XXDIVOUGCVLYRI-GDLZYMKVSA-N	424.953	5.281	30	20	HKED	
CC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542937478	NHYLWGVMFYKGQU-MSOLQXFVSA-N	411.505	5.106	30	20	HKED	
Cc1ccccc1CNc1ccccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	543015074	RTQAQGMKCZZHLH-UHFFFAOYSA-N	421.504	5.225	30	20	HKED	
C=CCn1c(SCc2nc([C@@H]3C[C@H]3C)no2)nnc1-c1ccc(Cl)cc1Cl	546478102	IJCOCUJALUHFGN-ZWNOBZJWSA-N	422.341	5.237	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccsc1Br	548955378	FBWNGMXCJIFOIF-LLVKDONJSA-N	410.362	5.227	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@H](C(F)(F)F)C1	552186703	QSAAJXZDMYTCJM-KGYLQXTDSA-N	421.303	5.794	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)c(F)c1	556896786	BRQHFDHJZYPHHC-UHFFFAOYSA-N	419.422	5.047	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1cccc(OC)c1	558451921	FQQJOAFWMCXOJS-UWJYYQICSA-N	422.504	5.093	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccc(Cl)c(Cl)c1	561597665	WKJFWANZUBTJOR-SFHVURJKSA-N	414.317	5.534	30	20	HKED	
N#CCCCn1cc(-c2nc([C@@H]3CSc4ccccc4O3)no2)c2ccccc21	564280502	ICFYJQBNDRFLLZ-IBGZPJMESA-N	402.479	5.221	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	576235424	SHOUKXCSVJDTGZ-UHFFFAOYSA-N	411.465	5.060	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12	578552094	CGXKXBSQOYEPRP-QHCPKHFHSA-N	409.530	5.058	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1	582934167	DLWKECSNSHFNFE-UHFFFAOYSA-N	400.404	5.186	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OC2CCCCC2)CC1	583328548	QQUUNGKILXGNIC-UHFFFAOYSA-N	419.573	5.321	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	584433430	AZVVOKNHLLIXKX-NRFANRHFSA-N	420.538	5.229	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)sc1-c1cccc(Cl)c1	588348197	DNILWRHDVGVCHA-MRXNPFEDSA-N	405.910	5.754	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603764526	KJDOZQKANJYABK-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cn2)cc1	603764851	PDSXWAZYHPUMRY-UHFFFAOYSA-N	418.503	5.112	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)o1	604544129	HJUCLVUPWJMNJI-UHFFFAOYSA-N	424.460	5.181	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(C)nc1C1CCCCC1	608847346	KUTPIXZFCFSSLL-UHFFFAOYSA-N	415.497	5.088	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ncccc1OCCCC#N	608883328	LPYXZAQVPNLTDF-UHFFFAOYSA-N	412.902	5.102	30	20	HKED	
N#CCCN(CC1CC1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12	609142664	NMTKGRNAHSEDNM-UHFFFAOYSA-N	407.464	5.198	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1	609398559	BLISAIJTPQEBGP-QMHWCDLVSA-N	423.582	5.570	30	20	HKED	
CCCCOc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1OCC	609462420	HBULFAQCPRDNQS-SFHVURJKSA-N	420.431	5.278	30	20	HKED	
CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1	609754995	WEKAZFDWIUIOQU-HNNXBMFYSA-N	407.495	5.086	30	20	HKED	
COc1ccccc1C1(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCCC1	611097199	WQCILEMWZLIXNO-UHFFFAOYSA-N	403.309	5.115	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN(C(=O)c4c(Cl)cc(C#N)cc4Cl)C3)[nH]c2c1	611189999	PYHAHECBBFBDDX-AWEZNQCLSA-N	413.308	5.070	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@@H](C#N)CC(C)C)c2c1C	611250066	CBPCSBIRULABOL-OAHLLOKOSA-N	410.568	5.127	30	20	HKED	
N#Cc1cc(CN[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)ccn1	611407189	LVRCLJSIJAJZOV-OAQYLSRUSA-N	415.390	5.021	30	20	HKED	
O=C(Nc1cc(Cl)ccc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642436098	NCUZIAXNFRVWBD-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
C=CCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC	680488054	CJDVIOHLCBDQMD-UHFFFAOYSA-N	400.689	5.645	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](OCCC)CC1	685540296	NPSAPOURLODWLY-SFTDATJTSA-N	412.578	5.006	30	20	HKED	
Oc1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc(C(F)(F)F)c1	685612682	ROSYZWWAVQMSKN-QWRGUYRKSA-N	409.292	5.410	30	20	HKED	
N#CCCCOc1cccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c1	726742227	MSOUETIICRFJET-RELWKKBWSA-N	424.525	6.402	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	728117885	AKZHKPPGTLYMQG-GOSISDBHSA-N	403.404	5.345	30	20	HKED	
Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12	728687789	MPWDWPPIPQAPQC-HSZRJFAPSA-N	408.505	5.496	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Oc3c(Cl)cccc3C2=O)cs1	729151150	PDYITUQQDXCNLA-MFOYZWKCSA-N	414.845	5.236	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Oc3c(Cl)cccc3C2=O)cs1	729151152	PDYITUQQDXCNLA-RQZCQDPDSA-N	414.845	5.236	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(OCC(C)C)cc2)cc1	730396066	LPTSXBRILFGALQ-JPYJTQIMSA-N	406.526	5.125	30	20	HKED	
N#C[C@@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc2cc(F)ccc2s1	730416150	BACIHDXRFMJLHB-RNIVLKNTSA-N	422.481	6.053	30	20	HKED	
CCc1cc2oc(=O)cc(CNc3ccccc3S[C@H](C)CC#N)c2cc1Cl	731664542	LYYCUFKXCGURIX-CQSZACIVSA-N	412.942	6.015	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl	732435851	RVEYJCUBSQRMPG-SJCJKPOMSA-N	424.353	5.243	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)c1	733774944	UDUBLLZKENEXLG-IBGZPJMESA-N	420.534	5.343	30	20	HKED	
C=CC[C@@H](NC(=O)NC1(c2ccc(Br)cc2)CCCC1)c1ccncc1	734667391	CUUSJGGTCGMMTP-LJQANCHMSA-N	414.347	5.230	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1	735248662	MQIQSQZNIOXARL-UHFFFAOYSA-N	420.559	5.127	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2cc(OC)c3c(c2)OCCO3)cc1	741469152	JZNGIWAZINXSMO-GHXNOFRVSA-N	402.446	5.038	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1	741903832	WJIXBKAVSCCYIZ-RUZDIDTESA-N	412.489	5.152	30	20	HKED	
CC[C@H](NC(=S)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccs1	743038161	WHPSCKWYDONDLQ-KRWDZBQOSA-N	411.527	5.989	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	743096332	QFPSIVXIGBBMPY-YWWLGCSWSA-N	413.496	6.096	30	20	HKED	
C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)N(CCC#N)c1ccc(F)cc1	743465932	SQPICMRMSCSGMS-KRWDZBQOSA-N	423.488	5.005	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(F)c1	744035581	PDENHITUZPJTJM-ZBEGNZNMSA-N	419.308	6.236	30	20	HKED	
C=C(C)CCOC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	744304392	UHHRLSLBXHIGIA-CQSZACIVSA-N	414.552	5.195	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nc(Cc2ccccc2)no1	744516896	SMLWGPSKXAPWHV-QGZVFWFLSA-N	409.445	5.117	30	20	HKED	
CCOc1c(Br)cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc1OC	746345684	JCSNGMGNBPAZRB-HJWRWDBZSA-N	421.335	5.147	30	20	HKED	
Cc1nc(SCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2c(C)c(C)sc2n1	747198532	YPPWAMLAMLYZKD-CYBMUJFWSA-N	416.597	5.165	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2	747440165	KOKJODIVYNBOOO-XNTDXEJSSA-N	424.909	5.312	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	747789930	SFPXEAZXLVAYRT-OAHLLOKOSA-N	423.284	5.263	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccc(Br)cc2)s1)c1ccc2c(c1)COC2	751535877	QNOOSJYGSSRGJR-BQYQJAHWSA-N	412.308	5.499	30	20	HKED	
Cc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	752033912	HHDOYEQPDBJVMY-UNMCSNQZSA-N	419.525	5.254	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)s1	752806415	PPHDOZOILIUEAT-OCCSQVGLSA-N	420.332	5.170	30	20	HKED	
COc1cc(C(=O)/C=C\c2cnc(-c3ccccn3)s2)ccc1SC(F)F	753141308	GEYNVOCJKPSJTO-SREVYHEPSA-N	404.463	5.425	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C/SCc2ccco2)cc1	753993866	VMBWULNGFFYMQM-ZRDIBKRKSA-N	406.463	5.338	30	20	HKED	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OCC1CCC(C#N)CC1	755955025	UYQZUUQUDWUWLN-UHFFFAOYSA-N	422.909	5.182	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c1	760152244	DDLVHDYVMOFXLW-GOSISDBHSA-N	419.447	5.529	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3ccccc3SCc3cccs3)CCO2)c1	762302480	XGQBAMOZIBIHLP-OAQYLSRUSA-N	420.559	5.126	30	20	HKED	
CCc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc1CC	768167887	PEZHLOCOAPTYDD-SFHVURJKSA-N	402.450	5.158	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)c1	772647409	YFTDWJXKALTIQE-NRFANRHFSA-N	418.880	5.367	30	20	HKED	
COc1ccc(CNc2ccc(OC(F)F)c3cccnc23)cc1OCCCC#N	775324900	RNJDRQUBTURBCU-UHFFFAOYSA-N	413.424	5.139	30	20	HKED	
N#CCc1ccccc1CC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	776997201	WSTPXBUEKDEDMC-KRWDZBQOSA-N	401.306	5.161	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2cc3ccccc3o2)C(C)(C)C)ccc1OC	779412025	IZWABPBWIVVLBE-YADARESESA-N	406.526	5.999	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	780578128	HDUYDIOBQBFRIM-HNNXBMFYSA-N	418.409	5.322	30	20	HKED	
CC(C)c1ccc(-n2ccnc2SCC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	781034409	KJWOBNGDODYXGH-QGZVFWFLSA-N	420.538	5.017	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	781546090	AULNZHZZFKKWNC-BOPFTXTBSA-N	406.429	5.468	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1cccnc1Oc1cccc(Br)c1	782900519	ZGJXRYNQHNMRJT-UHFFFAOYSA-N	403.276	5.123	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1	783862660	MKACPCDPKSGSQA-UHFFFAOYSA-N	401.175	5.006	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nccc2ccccc12	792097908	YXVIXRBVDXQJDN-AWEZNQCLSA-N	403.290	5.442	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)[C@H](O)c3cccc(C(F)(F)F)c3)cc2)c1	796304272	IKDNYPOCPYHJCP-HXUWFJFHSA-N	412.367	5.041	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC	800156684	HAJWCEHXMMPHID-NRFANRHFSA-N	410.514	5.018	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C/c2ccc(OC(F)F)c(OCC)c2)C(=O)c2ccccc21	802709038	YYVBHAQCCASFOE-RXBGNRNISA-N	416.420	5.003	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](O)c1ccccc1	808818296	VCVKMFPEUCDFHH-YTJPUZGESA-N	419.912	5.239	30	20	HKED	
C=CCn1c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nnc1-c1ccccn1	809959903	OTVLNTQCQHXABL-UHFFFAOYSA-N	422.297	5.033	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	812986133	QIIIJSUZPZEPRK-JTQLQIEISA-N	410.282	5.406	30	20	HKED	
COc1cc(C=NOCC(=O)Nc2ccccc2-c2ccccc2)cc(Cl)c1OC	823664585	SSUYUNBFKHJTBS-UHFFFAOYSA-N	424.884	5.013	30	20	HKED	
O=C1/C(=C/c2ccc(-c3ccccc3Cl)s2)CS(=O)(=O)c2ccccc21	873892746	KCNLLXWMFUNYFX-ACCUITESSA-N	400.908	5.122	30	20	HKED	
C=CCCC[C@H](c1ccccc1)c1nc([C@@H]2CCC(=O)N(CC3CCCC3)C2)no1	904833490	CHHFUZBDOSSUQW-FGZHOGPDSA-N	407.558	5.454	30	20	HKED	
CCN(CC)c1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1	916310141	UHVUECOFHKZENN-UHFFFAOYSA-N	416.550	5.162	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2)n1	916911751	XEJGMIBKDRJMGZ-ZDUSSCGKSA-N	416.289	5.078	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc2ccc(Cl)cc12	916944664	KMLWYAPEBAUQRU-HNNXBMFYSA-N	421.667	5.663	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)/C=C\c1ccc2ccccc2n1	919893754	OPMATCGJLMNUIE-GDNBJRDFSA-N	405.457	5.859	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1	921280540	KOYXSPXZMPHEDA-SFHVURJKSA-N	409.258	5.496	30	20	HKED	
N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCC4)CCC3)cc2)c1Cl	1790081851	VODUIGWKKSAHGX-UHFFFAOYSA-N	419.912	5.070	30	20	HKED	
CCn1c(SCc2cccc(C#N)c2)nc2scc(-c3cccs3)c2c1=O	4801617	ZINDAVAUCUHRMR-UHFFFAOYSA-N	409.561	5.370	30	20	HKED	
C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1	7172118	MJNJOWDVYZVFMH-HNNXBMFYSA-N	410.568	5.043	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cccc2cccnc12	29872235	AEASQPFQRYCYFL-UHFFFAOYSA-N	406.486	5.023	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1	43760466	ZBHYHFDRDDIWFL-UHFFFAOYSA-N	418.497	5.093	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)c1	62422887	BXZWKTHQTDCEGN-UIOOFZCWSA-N	416.496	5.286	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)s1	64455782	YAXJQMOPNQMDDX-UHFFFAOYSA-N	413.296	5.310	30	20	HKED	
CCOc1c(Br)cc(CNc2ccc(CC#N)cc2)cc1Br	237039246	HLXLGZYVGCMCFL-UHFFFAOYSA-N	424.136	5.288	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	301762740	NCGMHSWEOXKQMT-KRWDZBQOSA-N	416.930	5.961	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCC1(CC#N)CC1	431188400	BDPGGWSGZHPNLI-MRXNPFEDSA-N	401.963	5.238	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2F)c1	435864743	KHYQBUQNAJXRBG-UHFFFAOYSA-N	420.406	5.584	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc(-c4ccccc4)cs3)o2)cc1	436206306	FTGLQUQNYYASQW-UHFFFAOYSA-N	407.520	5.717	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1c(C)nn(C)c1C	438668022	DLEJYQZSDBEVIB-IBGZPJMESA-N	421.476	5.113	30	20	HKED	
Cc1nsc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1C#N	439303724	XQFWQSJXQDQGNE-UHFFFAOYSA-N	404.470	5.182	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1	439368437	CUSFPGGABMZWOE-OAQYLSRUSA-N	420.900	5.481	30	20	HKED	
COCc1nc(CNc2ccc(C#N)cc2C(F)(F)F)c(-c2ccccc2)s1	440649207	LBNMBSSDYKKEDA-UHFFFAOYSA-N	403.429	5.459	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cs1	442502948	BVGNVIWGFGPHCA-GOSISDBHSA-N	401.516	5.732	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cs1	442502949	BVGNVIWGFGPHCA-SFHVURJKSA-N	401.516	5.732	30	20	HKED	
COc1cc(CN2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)ccc1C#N	443071983	TZETYJQYUSFBTR-LJQANCHMSA-N	419.550	5.079	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C3CC3)nc3ccc(OC)cc23)cc1	443670397	UCNVBTQZHIEWFH-UHFFFAOYSA-N	415.493	5.080	30	20	HKED	
Cc1ccnc(Oc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)n1	444297404	SPWWOTGKITVXAL-UHFFFAOYSA-N	411.465	5.088	30	20	HKED	
CCC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccc(Cl)c(Cl)c1	447142007	HEFWFDRMDDAXBE-INIZCTEOSA-N	424.715	5.115	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	461315976	KGFNDAMGHVLBAH-HRAATJIYSA-N	404.441	5.093	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@@H](C)c2ccsc2)CC1	462270770	VRQVVCALURYENH-IRXDYDNUSA-N	414.600	5.053	30	20	HKED	
Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	464052238	JNAYDSKUBRHVBQ-RPWUZVMVSA-N	411.505	5.462	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1OC	464955280	SSYKVTDCTKWGQP-UYAOXDASSA-N	412.917	5.049	30	20	HKED	
COc1ccc(-c2cncc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1	466345677	GCFVESADPODOOC-MRXNPFEDSA-N	403.507	5.404	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Nc1ncccc1OCCCC#N	466610807	ZKQZFDBVNFTMES-HZPDHXFCSA-N	400.910	5.073	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSC[C@H]1CCC2(CCCCC2)O1	466755633	PIKLKRYMTFHXDO-QZTJIDSGSA-N	418.628	5.634	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1	467612172	YDTZLRCLCNAHOR-GOTSBHOMSA-N	401.897	5.314	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2cnc([C@H](C)OCC)s2)C(C)(C)C)cc1	467904514	SRAXTHZQECUSCO-INIZCTEOSA-N	402.560	5.246	30	20	HKED	
CC1(C#N)CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1	468182967	MCFCDWSZGBWVQV-UHFFFAOYSA-N	415.902	5.165	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1	473610537	MDZODZHXYXHSAG-AREMUKBSSA-N	416.569	5.008	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n1	474427731	PLFWGRPBZUQUPP-IBGZPJMESA-N	403.507	5.033	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479197099	XZDYKYRJLFVKRX-UHFFFAOYSA-N	419.550	5.305	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(C)cc1	481368500	GKGVDDZXIGSOGN-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
C=CCn1c(Sc2cc(C)nc(-c3ccncc3)n2)nnc1-c1cccc(Cl)c1	481835675	DPIFAKVZTOVFRA-UHFFFAOYSA-N	420.929	5.096	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	483198448	QLCMFTKENAMPAO-HNNXBMFYSA-N	422.271	5.995	30	20	HKED	
COC(=O)c1c(F)ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1F	485142098	FYLZGGNZALEDQR-UHFFFAOYSA-N	424.428	5.027	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1	490532241	WTSINGSANSYZHD-UHFFFAOYSA-N	417.937	5.066	30	20	HKED	
N#C[C@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nccc2ccccc12	490977300	XFVWZQGURJKIIR-QFIPXVFZSA-N	423.428	5.212	30	20	HKED	
N#C[C@@H](CCc1ccccc1)C(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1	493999803	MGJLCIYYDNAELK-QGZVFWFLSA-N	421.953	5.121	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)c3c(C)noc3n2)cc1	498021960	FAJCDHYAMUULKI-GOSISDBHSA-N	421.460	5.181	30	20	HKED	
CC(C)c1ccc(N(C(=O)Cc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1	504335257	DHCJQDLMKUFMNN-UHFFFAOYSA-N	411.530	6.199	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc(C#N)ccc1Cl	507721324	ZSBXQIGOBCOEDH-UHFFFAOYSA-N	421.884	5.118	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@]2(CC=CCC2)C1	508789087	GFYZZFGEYOKGJI-QHCPKHFHSA-N	410.587	5.092	30	20	HKED	
CC(C)N(Cc1ccco1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	509223099	GYDCPRHFAKJZEG-UHFFFAOYSA-N	403.482	5.367	30	20	HKED	
FC(F)Oc1ccc([C@@H](NCc2nc3ccccc3n2C(F)F)C(F)(F)F)cc1	510472572	AJZJCTUXYQCCQO-OAHLLOKOSA-N	421.316	5.426	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1	512564025	HGOFRTAUOGVZCE-VWLOTQADSA-N	417.509	5.713	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cnn1-c1ccccc1	512842753	BUMJIRDKACPTID-UHFFFAOYSA-N	422.488	5.659	30	20	HKED	
CCn1c([C@@H]2CCCN2C(=O)Nc2cc(C#N)ccc2OC(C)C)nc2ccccc21	513860960	DQJZGHDHYFPSMO-NRFANRHFSA-N	417.513	5.084	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3cccc(OCc4cscn4)c3)c2C#N)C1	514705933	KDHSAFRDOPJALN-CYBMUJFWSA-N	409.536	5.032	30	20	HKED	
Cc1nc(SCC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c(C)c1C	515027222	HXCHLUXLMRVKLQ-HNNXBMFYSA-N	421.488	5.209	30	20	HKED	
COc1ccsc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	517327619	PHUJCAVZXAABON-NSHDSACASA-N	409.319	5.677	30	20	HKED	
Cc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)oc2ccc(Cl)cc12	517665934	NYVFVXNDVAFYOQ-UHFFFAOYSA-N	408.885	5.386	30	20	HKED	
CCc1c(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)[nH]c(C)c1C(C)=O	517682734	BFMQCIYXZPJPOI-UHFFFAOYSA-N	417.484	5.254	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1	518454067	XGDPFLYEAYTZCH-FGZHOGPDSA-N	422.912	5.178	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc12	518872940	INWWYTYOPILBFR-INIZCTEOSA-N	420.440	5.740	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nc2ccccc2o1	518947576	PXNFOPHEKDVUDP-UHFFFAOYSA-N	413.452	5.313	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	519433851	FYFRSVDGNNFPIA-CYBMUJFWSA-N	410.436	5.668	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC	519477219	RGYMDBBOWVGSHY-DEOSSOPVSA-N	404.485	5.322	30	20	HKED	
C=CCN(C(=O)Cc1c(C(C)=O)oc2cc(C)ccc12)c1nc2c(s1)CCCC2	519726028	MIPXWCJXLSBTGM-UHFFFAOYSA-N	408.523	5.041	30	20	HKED	
CCCn1c(C)c(C(=O)Nc2cc(C#N)ccc2OC(C)C)c2cc(OC)ccc21	520004373	DZZGTXKOBOVSJM-UHFFFAOYSA-N	405.498	5.280	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)o2)cc1	520533281	JJDWUTRSWCPDQT-QHCPKHFHSA-N	404.441	5.141	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	520742744	CRXZWUHCHGOGSQ-MRXNPFEDSA-N	420.538	5.957	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccc(C(F)(F)F)cc1	520937981	MVWAQTPNMRHLHS-AWEZNQCLSA-N	423.460	5.300	30	20	HKED	
CC(C)(c1ccccc1)c1nnc(NC(=O)c2ccccc2-c2ccccc2C#N)s1	521613194	YYSUXABJOZEXJA-UHFFFAOYSA-N	424.529	5.655	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)on1	522635235	AZJHTWUGKGQKOY-LJQANCHMSA-N	407.857	5.278	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1	523491679	BTVDPYKYXJJLPE-UHFFFAOYSA-N	423.406	5.093	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1	524197492	OPCFTZQSBASUOE-QGHHPUGFSA-N	400.853	5.776	30	20	HKED	
CCSc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1	524393524	DHRWHPXSCKUTGS-LBPRGKRZSA-N	401.463	5.085	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3sccc3C3CC3)cc2Cl)c1	524422866	KHFPXKIHTNIBBJ-UHFFFAOYSA-N	408.910	5.982	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(OCc2ccccc2OC)CC1)c1ccccc1	536728766	VYMIXHVKXSBOGU-QHCPKHFHSA-N	408.542	5.093	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	538526728	XQQUGVPFSJEGEH-AVRDEDQJSA-N	412.505	5.629	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1	539358162	UPCMCSYXNJLIPI-HSZRJFAPSA-N	419.594	6.242	30	20	HKED	
CC(C)Cn1cc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(C(F)F)n1	540225328	JGAYFLPBJKXOPJ-UHFFFAOYSA-N	423.467	5.337	30	20	HKED	
CN(C(=O)c1ccccc1-c1ccccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	542566126	PXIJMNRTJNTIPZ-PXDATVDWSA-N	414.480	5.357	30	20	HKED	
C[C@H](NCc1cccc(C#N)c1F)c1nc(-c2ccc(Br)cc2)cs1	543498118	VXHAILFWVDPFFN-LBPRGKRZSA-N	416.319	5.434	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3scnc3C3CCCC3)n2)cc1	544817498	KIDMITLQJICPLT-MRXNPFEDSA-N	409.536	5.423	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(COc4ccc(Cl)cc4)no3)cc2)nc1	544894441	RLKMGFJNFRLSEV-UHFFFAOYSA-N	404.813	5.028	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H](C(F)(F)F)C1	552418168	NNNYBWJGXVHEFT-HOTUBEGUSA-N	407.276	5.404	30	20	HKED	
Cc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	554765223	QDKIQXKCIAOMIC-RBBKRZOGSA-N	419.916	5.138	30	20	HKED	
CCC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1	562495802	OPPOKOGTIKCOND-BJKOFHAPSA-N	404.558	5.007	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCC(C)(C)CCC#N	564435854	NYAHEFCGDFUVGV-ZDUSSCGKSA-N	406.393	5.862	30	20	HKED	
CO[C@H](c1cccc(Cl)c1)c1noc(-c2cn(CCCC#N)c3ccccc23)n1	568443090	QYKIODBGCIPJKU-HXUWFJFHSA-N	406.873	5.384	30	20	HKED	
CO[C@@H](C)c1cccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1	569834875	IGVUVAXFMBWTGF-INIZCTEOSA-N	411.933	5.164	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@@H](c2nc3ccccc3o2)C1	587185564	FXBMPDODOZKLIX-GFCCVEGCSA-N	408.383	5.049	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1	589384131	NTVXEOVYFJXDLK-UHFFFAOYSA-N	407.539	5.106	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)c1ccc(COc2ccccc2C#N)o1	603898020	KJBMBAIEFPJFFM-UHFFFAOYSA-N	402.475	5.217	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2c(F)cccc2F)cs1	604445333	VRUKBMOXHXOTOJ-NSHDSACASA-N	419.796	5.140	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F	609082604	SPVSHNKLHKEQTP-UHFFFAOYSA-N	400.212	5.130	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2occc2-c2ccccc2)cc1Cl	609163836	ANBNBDWGCODGBP-QFIPXVFZSA-N	412.876	6.508	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc12	609287147	DEYRVEMFAJSDOK-SFHVURJKSA-N	424.888	5.183	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2SC[C@H](C)C#N)s1	609378010	UDCAUIJFILOJJT-CYBMUJFWSA-N	413.593	5.613	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)n1	609378091	RDBUVWZFVPLQEG-INIZCTEOSA-N	404.539	5.052	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(CN(C)C)c1	609731911	PDPWTEXBIJYWDK-UHFFFAOYSA-N	419.912	5.626	30	20	HKED	
CC(C)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(F)cc1Cl	609815420	HJCAJLFHSMKERA-UHFFFAOYSA-N	409.848	5.593	30	20	HKED	
CCCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@@H](C)c1ccccc1Br	610408071	GOQUKSZLUJUBIZ-CVEARBPZSA-N	414.347	5.565	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](C[C@H]2CCOC2)C1	611357554	CILIVMBFBATDPX-NHCUHLMSSA-N	419.525	5.330	30	20	HKED	
COc1cc(C(F)(F)F)ncc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	616711412	WCTLPTNISLBXNV-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1-c1ccncc1	650946936	SXWDBBKKJFPVCP-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
FC(F)(F)c1ccc2c(N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)ccnc2c1	676878273	TVEKPKLXOODBNT-QWRGUYRKSA-N	402.260	5.431	30	20	HKED	
C[C@H](c1ccccc1Cl)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1	725795100	LQOZFCDURTWHBG-RHSMWYFYSA-N	409.942	5.352	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(C#N)c(C(F)(F)F)c2)cc1	726426015	NPMBGJZBKFHDEZ-UHFFFAOYSA-N	417.435	5.287	30	20	HKED	
Cc1noc(C)c1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728121308	DZASQUCZFHYVEV-UHFFFAOYSA-N	424.888	5.059	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/Nc3ccc(CC#N)cc3)c3ccccc3C2=O)cc1C	730971106	LNURXNRQNAIDJS-LFVJCYFKSA-N	407.473	5.010	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	732499177	LTIDNSWIJLLFDU-KSSFIOAISA-N	414.502	5.835	30	20	HKED	
Cc1ncc(/C=C\C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1	732739266	WISUYSZRRIIENA-VURMDHGXSA-N	409.898	5.208	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)C)c2ccccc2C)ccc1OC	733649734	DCDSHALPOAXLTB-IFMALSPDSA-N	423.557	5.271	30	20	HKED	
FC(F)(F)c1ccc2sc(NN=Cc3c(Cl)nc4sccn34)nc2c1	743444404	MAETYNBEJWMRPE-UHFFFAOYSA-N	401.826	5.124	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1cccc(N2CCOC2=O)c1	745626078	ILEZTMNTEGGPSS-CMDGGOBGSA-N	410.882	5.316	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c2c1	745950592	YQUAPWBGYCWZFY-INIZCTEOSA-N	421.472	5.687	30	20	HKED	
O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)c1ccc(-c2ccncc2)cc1	745990201	NIIFGUAXOLWQTK-LZCJLJQNSA-N	422.278	5.178	30	20	HKED	
Fc1ccc(C(CCSc2ccccn2)=NNc2ncnc3sccc23)cc1	746682774	QGCPIPXNSGYUAO-UHFFFAOYSA-N	409.515	5.224	30	20	HKED	
COc1ccc2cc(/C=C(\C(=O)Nc3cccnc3)C(=O)c3ccccc3)ccc2c1	747127776	KOIDKTPIYUJMSX-IWIPYMOSSA-N	408.457	5.148	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(Oc3ccccc3)c2)cc1	749337637	ITVKKTYGRLVHJO-VGOFRKELSA-N	413.477	5.349	30	20	HKED	
COc1ccccc1C1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1	749342350	AVPOJJMSKRHKCI-INIZCTEOSA-N	408.910	5.380	30	20	HKED	
CC(C)(C)c1nnc(S)n1N=Cc1nc(-c2cc(Cl)ccc2Cl)cs1	755519413	VEKPXSRYMDJICR-UHFFFAOYSA-N	412.371	5.177	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCCn2ccc3cc(Cl)ccc32)c1	760386213	HIIYJWNOBKJMJD-HXUWFJFHSA-N	409.917	5.072	30	20	HKED	
COc1cc(C(=O)Nc2ccc(F)cc2OCC#N)cc(Cl)c1OCCC(C)C	760786417	QNSLOKYHECADED-UHFFFAOYSA-N	420.868	5.067	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(Br)c(F)c2)S1	763103595	YKWRTCWUEJVKMI-DHDCSXOGSA-N	405.292	5.097	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(COC3CCOCC3)c2)cc1	765923746	CKFJMHXANSTNMD-LJQANCHMSA-N	415.961	5.364	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)cc1	766383126	UHNQXZDWWYUGGF-CKJXQJPGSA-N	414.933	5.339	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1cccc(-c2cccnc2)c1)C(=O)c1ccccc1	768492517	HNCWRVNJNQLFST-JLPGSUDCSA-N	405.457	5.049	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@H](O)c2ccc(Cl)cc2)cc1	772608701	IISWQIHOGYWQJF-QHCPKHFHSA-N	422.887	5.003	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1ccco1)c1cccc(Cl)c1)c1ccc2ccccc2n1	772638923	VNIIIUDNVDNVCM-NRFANRHFSA-N	415.880	5.364	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	775226656	IBQJFWHFVURUQA-CQSZACIVSA-N	419.909	5.253	30	20	HKED	
O=C(Nc1cccc(C(F)(F)F)n1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	775741894	MLXLCWBWRWFHJH-BRPSZJMVSA-N	423.279	5.131	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1	777368423	JFWDEBZNIZQZOP-UHFFFAOYSA-N	418.884	5.231	30	20	HKED	
Cn1cc(CNc2ccc(OCc3cccc(C#N)c3)cc2)c(-c2cccs2)n1	779594701	PCUIMBMUTPRQIQ-UHFFFAOYSA-N	400.507	5.211	30	20	HKED	
O=C(O)C(=O)/C(=C/c1cc(Cl)cc(C(F)(F)F)c1)c1ccc2ccccc2n1	780175538	IXCSJXBKRYCWLT-OQLLNIDSSA-N	405.759	5.101	30	20	HKED	
CC(C)(CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)Cc1ccc(Cl)cc1	783077655	WOCWPQBVLGAXLF-INIZCTEOSA-N	403.309	5.300	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)OC(=O)CC(C)(C)C#N)cc3)sc2c1	785077684	HREINGWYINTZRM-OAHLLOKOSA-N	421.522	5.082	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)NCc3cccc(Cl)c3)sc2c1	786533598	FSSXWMHHPNLZGV-HNNXBMFYSA-N	417.317	5.155	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1cn(CCC#N)nc1-c1ccccc1	788355456	MZQWNDLPXLCSML-PFONDFGASA-N	421.504	5.162	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)s1	797566539	NCYUDPIQJYHJOX-RRFJBIMHSA-N	408.445	5.319	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1	798008211	CWSNTZLENYDNEQ-XQBPLPMBSA-N	403.432	5.298	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC=C(Br)C2)c1	799394430	TVYCQDYZACYAIJ-UHFFFAOYSA-N	417.690	5.129	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N	801093626	QMOSNOOHNVSBNP-UHFFFAOYSA-N	400.413	5.012	30	20	HKED	
O=C1/C(=C/c2c(Cl)nc(Cl)n2-c2ccccc2)C[C@@H](C(=O)O)c2ccccc21	806561311	TWDKBCDPKYTMSQ-LPQFERQCSA-N	413.260	5.017	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H](C)c3ccc(F)c(Br)c3)[nH]c12	813070609	UWXQAPSZAGQZJM-OCCSQVGLSA-N	414.278	5.143	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(Cl)c1Cl	813124335	XSICLUPCSPSOGS-GFCCVEGCSA-N	419.051	5.203	30	20	HKED	
CC(C)OCCCn1c(-c2ccc(Br)cc2)cnc1SCCCC#N	846557422	JLHPLEQJBAQTTL-UHFFFAOYSA-N	422.392	5.524	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1	915353881	RECCRJXLFQWJHJ-RBBKRZOGSA-N	417.509	5.840	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNCc1ccc(C(F)(F)F)cc1	915971874	CTPNDBAXDXDOFN-UHFFFAOYSA-N	406.839	5.036	30	20	HKED	
FC(F)(F)c1ccccc1C=Nn1c(S)nnc1Cc1cccc2ccccc12	916278512	MSEGVWLFYMVEKE-UHFFFAOYSA-N	412.440	5.212	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	916905159	AYYWVDOMNLHELM-PGRDOPGGSA-N	420.553	5.358	30	20	HKED	
Cc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-]	918713804	SGFLQODJXSCVHX-TWGQIWQCSA-N	414.870	5.488	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCOCc1ccccc1	919902241	DCNHTKOUZUVUMF-UHFFFAOYSA-N	415.493	5.387	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1	919976158	BUTBLSBJYSABML-UHFFFAOYSA-N	401.447	5.243	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3cc(C)c(C)cc3C)n2)cc1	920138283	CJGLIMMFRZZBJQ-PWYGHMFVSA-N	402.519	5.634	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(F)cccc4s3)n2)cc1	920140857	KCCPEFZDUZVEIN-OAHLLOKOSA-N	403.463	5.526	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F	921261964	XOFFVZXZWDFQCX-QPJJXVBHSA-N	415.751	5.094	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3cc(C)ccc3C2=O)cs1	921269105	JJZWGSIFXGBHTO-WJDWOHSUSA-N	408.910	5.612	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1	1538800687	KZXMFYORDCMRMB-UHFFFAOYSA-N	421.884	5.293	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1	1786749007	YTEIZFXBFSDRRV-JNKLARPZSA-N	404.510	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(C)c3)CCC2)cc1	1789624238	OHXRNWVIOUDPOY-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C)CCC2)cc1	1789626242	OFQJMNGBXHVUDQ-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)s1	22728712	WXGUEDKCRHQPAO-UHFFFAOYSA-O	411.572	5.224	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3occc3COc3ccccc3)c2)c1	32290029	VFNYZEIHOCLSDS-UHFFFAOYSA-N	424.456	5.562	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1	43116701	QTVVYGPBBVIJJO-SFHVURJKSA-N	409.530	5.038	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Cl	58989352	FLOCBNFPNIOJQY-HXUWFJFHSA-N	405.841	5.085	30	20	HKED	
CN(C)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CCCCC1	63804451	UYUIJOOSPROWQC-HSZRJFAPSA-N	421.610	5.091	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4cccnc4)cc3)cc2)cc1	66037192	OIYVDPPXNMZCPO-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	116681771	MPVGYJBFIQFEES-FQEVSTJZSA-N	418.484	5.564	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1ccccn1	149544918	TYBGMHRUEOQGTN-MRXNPFEDSA-N	411.230	5.266	30	20	HKED	
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCCCC#N)cc1Cl	206768781	KWRVWOHVFAHIEN-VBKFSLOCSA-N	417.943	5.191	30	20	HKED	
CC(=O)N(c1nc(/C=C2/CCOc3c(ccc(Cl)c3Cl)C2=O)cs1)C1CC1	217203076	QRPCOVONZUQVNP-FLIBITNWSA-N	423.321	5.014	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)c1	303205798	PVLKIVWFPAMKBT-UHFFFAOYSA-N	409.917	5.409	30	20	HKED	
Cc1ccc(Sc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)c(C)c1	303535074	XIMIQAJNEJKQCP-UHFFFAOYSA-N	402.519	5.538	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c(Cl)c1	426149671	RJCROURGUKKYMP-QGZVFWFLSA-N	404.695	5.343	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1-c1ccccc1	428321910	FWOGXWUJVJQZBC-UHFFFAOYSA-N	418.806	5.388	30	20	HKED	
CC(C)(c1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1)C(F)(F)F	429683043	PEKLRAJNKBRIBN-IBGZPJMESA-N	417.431	5.004	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)N[C@H](CCCC#N)c3ccccc3)ccc2C)c1	432981098	ZYWTYNIJJQCVIV-JOCHJYFZSA-N	414.509	6.047	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433612812	PDOTUNFLJGJGRS-QLJPJBMISA-N	422.344	5.692	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NCc2cccn2Cc2ccccc2C#N)cc1	437136329	VBUWNTMDLMUWQO-FQEVSTJZSA-N	412.537	5.035	30	20	HKED	
Cc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1	437139479	WHBUGIXVECHURB-FQEVSTJZSA-N	417.896	5.190	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	437486896	XFYPEKIEDJLJRB-UHFFFAOYSA-N	408.454	5.461	30	20	HKED	
CC1CCN(CCCCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	438644850	CQDWAFMWBFLILN-UHFFFAOYSA-N	424.520	5.123	30	20	HKED	
COc1ccccc1Oc1ccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)cc1	438862254	JGTRILFMYYKUQI-QFIPXVFZSA-N	415.493	5.332	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccccc1	439480668	WFOCNEYBRXUHKL-OAQYLSRUSA-N	410.477	5.585	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)NCC3CCC(C#N)CC3)c2C)c1	441674620	ZRAXWZOOLVSUIW-UHFFFAOYSA-N	407.514	5.034	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c2ccccc21	444174286	GORUCXRFKQKZTR-GOSISDBHSA-N	411.292	5.247	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21	462151460	OHLDXGASFQUJHE-SFHVURJKSA-N	418.994	5.488	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N[C@H](c1ccc(F)cc1)C(F)(F)F	465245239	VCSRFOATMWNMOR-OAHLLOKOSA-N	408.317	5.746	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F	466415559	GDKCQNGALWKBRL-HNNXBMFYSA-N	405.311	5.114	30	20	HKED	
CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)ccc1OC	469353231	PPJMENLQZWPFNH-FQEVSTJZSA-N	411.933	5.495	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1	472277123	OYLFSBFLFPXQFP-DEOSSOPVSA-N	419.912	5.062	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1	475554329	IDWPMLNTLLADMN-UHFFFAOYSA-N	410.533	5.548	30	20	HKED	
Cc1ccc(Br)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	477341084	JTJSHRWIZWYFEQ-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
Cc1nnc(SCc2c(C(=O)N(C)c3ccccc3C#N)oc3ccccc23)s1	479692686	QRAWRFCOKRSTMR-UHFFFAOYSA-N	420.519	5.033	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCCC[C@@H]1c1ccccc1	484651645	UNDAZAXUQZKATI-HMXCVIKNSA-N	407.583	5.335	30	20	HKED	
C=CCSc1ccccc1C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	485463898	IUOUGKMIRJNOCW-IERDGZPVSA-N	418.965	5.180	30	20	HKED	
COc1cc(SC)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	487488010	RYSGSGUWAZNPRO-UHFFFAOYSA-N	408.454	5.472	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1	489002838	AIBIPMYCJINHFA-XMMPIXPASA-N	419.546	5.100	30	20	HKED	
Cc1csc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1Br	489742086	IPLHIBKLIAQTLU-LLVKDONJSA-N	404.116	5.121	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1	494236563	FACOULBDAXCLOO-DGWZTRNLSA-N	423.516	5.039	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1nc2c(Br)cccc2s1)c1ccccc1	494366763	KQSMAVVNGAPMIC-CQSZACIVSA-N	415.316	5.225	30	20	HKED	
Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)s1	495039876	DENTXKJYZUOHON-UHFFFAOYSA-N	405.401	5.117	30	20	HKED	
N#Cc1cc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)c[nH]1	496145605	CMSPPJRXOYZCRP-UHFFFAOYSA-N	400.488	5.121	30	20	HKED	
C[C@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)c1cccc(C#N)c1	497872054	BILDFNXBKKINGC-MGPUTAFESA-N	416.443	5.059	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cccc([C@H]4CCCOC4)c3)c2)c1	499477679	JMMAXXPFEUXHIC-QHCPKHFHSA-N	412.489	5.284	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)n2)c1	501129382	VFQWYJUSAKTPRY-UHFFFAOYSA-N	420.494	5.126	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3occc3-c3ccc(F)cc3)s2)cc1	503379006	UIKTUWRQTYXMNJ-UHFFFAOYSA-N	403.438	5.257	30	20	HKED	
CCCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1Br	505311120	OPMXBKMNCTWIQJ-CVEARBPZSA-N	414.347	5.565	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1	505652256	RNJYYQIRKJZQTD-UHFFFAOYSA-N	401.397	5.232	30	20	HKED	
CCOc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510668701	SERLMIAZQWSNLU-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](n4ncc5ccccc54)C3)cc2)cc1	512913828	XFNYERSMSFFSFW-OAQYLSRUSA-N	423.476	5.179	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2)cs1	513667821	WRBDWYSZLGZJPG-GOSISDBHSA-N	418.547	5.121	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccccc2)c1C)c1nc(-c2ccccc2)cs1	514868352	KTLYPLHYMFGGGB-UHFFFAOYSA-N	400.507	5.137	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1cccnc1Oc1cccc(F)c1	515801983	ZLBRLLRWVXJMTN-UHFFFAOYSA-N	409.436	5.050	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SCCC#N)oc2ccc(Br)cc12	517440937	GVHJGRAGBBTKDS-UHFFFAOYSA-N	415.312	5.762	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)c2)cc1	517844830	XGGCGURRIJLQOV-XMMPIXPASA-N	414.461	5.161	30	20	HKED	
CCC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1	518017094	ZUNJKCCRZYLTGI-UHFFFAOYSA-N	403.413	5.090	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1	518643617	NYDQGPORSCPISR-UHFFFAOYSA-N	424.547	5.072	30	20	HKED	
C[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCCC1)C(=O)Nc1ccccc1C#N	518735347	MYZFNHPRDCHCQO-INIZCTEOSA-N	415.459	5.006	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518884741	MEURQJAPJGMHMJ-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
Cc1ccccc1C1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCOCC1	519067780	VJHVTJNKJIKEPQ-UHFFFAOYSA-N	412.489	5.346	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccccc1	519263735	JWSZVXNHPBBFPR-INIZCTEOSA-N	403.463	5.689	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	519434094	OJVVCWXZOUUXMZ-UHFFFAOYSA-N	409.389	5.180	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1	521360834	HMJYCMSIXLRWAP-UHFFFAOYSA-N	412.480	5.357	30	20	HKED	
C=CC1CCN(C(=O)c2ccccc2Sc2ccc(Br)cn2)CC1	521957683	RJMLFAGGIQFQMX-UHFFFAOYSA-N	403.345	5.034	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1cc(Br)ccc1OC	525005255	AUFQDDHIAGYHLL-UHFFFAOYSA-N	424.385	5.467	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1Cl	533020081	BOYRVUZCHWCOBJ-CQSZACIVSA-N	422.381	5.316	30	20	HKED	
C=C(C)[C@H](Cc1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1)OCC	533752876	LDDHUYPBCQMCHC-FQEVSTJZSA-N	418.522	5.446	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1C(F)(F)F	537158287	VGDGDCWQXAIKAK-CABCVRRESA-N	421.488	5.246	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nc2ccccc2o1	537557210	HDKBFDCJFQFBPS-MRXNPFEDSA-N	406.511	5.346	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541158718	KBKXZIXQNJSCMA-MWTRTKDXSA-N	413.525	5.173	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1cc2sc3ccccc3c2s1	541368791	ZTKVPWBDRWAFDJ-UHFFFAOYSA-N	408.504	5.265	30	20	HKED	
COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	543034551	OGQFOCZIRSFAJQ-WOJBJXKFSA-N	400.522	5.662	30	20	HKED	
COc1ccc2[nH]cc(CC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2c1	543918203	XMFMDUQEBJLVJH-QGZVFWFLSA-N	409.489	5.135	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1	549007157	QNCJCAYHPAIHCJ-ACJLOTCBSA-N	403.309	5.317	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	552687041	SWDVKUXHNGPSCJ-MRXNPFEDSA-N	418.472	5.116	30	20	HKED	
CC[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(Cl)c1	553446036	NECZCCJDROOYHI-HXUWFJFHSA-N	415.896	5.055	30	20	HKED	
Cc1nc(NC(=O)c2ncc(C#N)cc2Cl)sc1Cc1ccc(Cl)cc1F	556049940	RRIUSFRMOBMOOD-UHFFFAOYSA-N	421.284	5.007	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)c1nc2ccccc2o1	561973318	RIBLMSVXBOOOEB-KRWDZBQOSA-N	412.836	5.310	30	20	HKED	
Cc1ccccc1[C@H]1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1	567479660	FRNMWGNZRSVHSO-IBGZPJMESA-N	421.972	5.143	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccccc3Cl)cc2)ccn1	571544601	WJNNZEOWFMXYGG-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589363528	CXCSCUMVLYAMSC-XMMPIXPASA-N	412.493	5.533	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(CC(C)C)c1ccc(C#N)cc1	603529924	VPYPLMRRMAHTFR-UHFFFAOYSA-N	423.513	5.344	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1	603990674	JSDUWBRJNUHPAA-UHFFFAOYSA-N	423.516	5.494	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1	603996849	ZNKBOXQBHCXQMS-KSSFIOAISA-N	407.539	5.126	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1	604709412	NIAIZAIFGRZGGG-UHFFFAOYSA-N	408.498	5.031	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	609281577	DFKGPUIILOMOLN-UHFFFAOYSA-N	424.932	5.166	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609297306	FDNUWHXQXMPJCP-UHFFFAOYSA-N	413.452	5.414	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)sc2c1	609428319	MCXDHXGIPJYYPC-CYBMUJFWSA-N	400.956	6.510	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(Br)c1	609497103	MLLZRRUIRCCXEX-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)sc2ccc(F)cc12	609508803	YQYKFARAAXUBBB-UHFFFAOYSA-N	408.498	5.341	30	20	HKED	
N#Cc1c(NC(=O)C[C@H]2OCCc3ccccc32)sc2c1-c1ccccc1CC2	609642268	JIEFZNAFODVMQM-HXUWFJFHSA-N	400.503	5.028	30	20	HKED	
Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1	611186082	HBPZGVDCUHJGSQ-GOSISDBHSA-N	422.872	5.063	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)C1	612310198	KDKAMCGWEFTVOU-INIZCTEOSA-N	407.408	5.220	30	20	HKED	
O=C(Nc1c(F)cccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	613383170	FBAAAWDRAZNOLE-BRPSZJMVSA-N	406.729	5.510	30	20	HKED	
C=CCN(C(=O)c1ccc(Br)cc1Cl)c1nc2c(s1)CCCC2	614519197	AJVKTTAHDIPDBK-UHFFFAOYSA-N	411.752	5.271	30	20	HKED	
CCCn1nc(C)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	675341526	YHMDGISLFFOLBI-ZDUSSCGKSA-N	406.433	5.029	30	20	HKED	
C=CCC[C@@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	681649474	SCNFGSPKIDSSHB-LTIDMASMSA-N	407.398	5.762	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1	728182644	CBFMKHLSZPOFTA-UHFFFAOYSA-N	424.456	5.262	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)cc1	728439943	HRXXEVIIZYMHRW-RMKNXTFCSA-N	407.520	5.080	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1F	730685549	KDIHHKCHRVYGHV-INIZCTEOSA-N	405.429	5.211	30	20	HKED	
N#CCCSc1ccccc1NC(=O)/C=C/c1cc(Br)ccc1F	730982666	UNNZZVCPYDPVTM-RMKNXTFCSA-N	405.292	5.246	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(F)cc1F	731980783	CVMDDEUNFVSDKQ-UHFFFAOYSA-N	421.403	5.034	30	20	HKED	
O=C1/C(=C/c2ncc(-c3ccc(Br)cc3)[nH]2)CCOc2ccc(F)cc21	732714370	QQSLRXMYVQLFGH-UKTHLTGXSA-N	413.246	5.027	30	20	HKED	
CSc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	733080395	WGXAQVBDHCAFKV-UHFFFAOYSA-N	403.433	5.115	30	20	HKED	
O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1	733902899	DBYJSFBTXIEHHC-UHFFFAOYSA-N	403.316	5.257	30	20	HKED	
CCN(CC)C(=S)SCc1ccc(OCc2cccc(C#N)c2)c(OC)c1	734980941	NBFLPMDMZYBFHR-UHFFFAOYSA-N	400.569	5.006	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CSc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	735770600	UKMZJOAWEDJRKX-OLZOCXBDSA-N	404.438	5.381	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	739154130	CTVCAOMXTYLMPN-CYBMUJFWSA-N	411.845	5.542	30	20	HKED	
COc1ccc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc1C#N	741849199	URTMLOZOYMAHFQ-YVLHZVERSA-N	419.893	5.681	30	20	HKED	
C=C(Br)CNC(=O)c1c(Cl)cccc1Oc1ccccc1Cl	742588273	ZQJYBCWKMVBCKK-UHFFFAOYSA-N	401.087	5.424	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CCc3cccc(F)c3)n2)cc1	744063210	ZCVVAPTXZLVBQI-MGPUTAFESA-N	408.498	5.403	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	747107316	BWLMSORUMATSEX-SFHVURJKSA-N	408.816	5.233	30	20	HKED	
C=CC[C@H](NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1)c1ccncc1	754922798	YVTABXLUGVTKGE-QRWLVFNGSA-N	403.448	5.653	30	20	HKED	
Fc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c2ncccc12	759192766	UTHROLKRTCOIPX-UHFFFAOYSA-N	418.284	5.110	30	20	HKED	
O=C1/C(=C\c2coc(-c3ccccc3)n2)COC/C1=C\c1coc(-c2ccccc2)n1	759611281	CBWQMINNAHMSBO-UHWBUFEVSA-N	410.429	5.063	30	20	HKED	
Cc1nc(CON=CC(=O)Nc2ccccc2Cl)oc1-c1ccc(Cl)cc1	768521514	JSOUYOOXKWMFLF-UHFFFAOYSA-N	404.253	5.098	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cc(Cl)c1O	771100368	XTFGLAUNEUBSMW-BIENSFFJSA-N	420.864	5.037	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OC[C@@H](C#N)Cc1cccs1	772728583	YQJMQJFGYHAOGJ-CYBMUJFWSA-N	419.428	5.005	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCSc3c(Cl)cccc32)ccc1OC	772981294	ZADLOCHLVDFKOJ-MAUKXSAKSA-N	402.947	5.356	30	20	HKED	
CN(C(=O)c1ccccc1OCC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	776402396	VNGAAQZUZDOLCJ-PKOBYXMFSA-N	402.416	5.016	30	20	HKED	
Cc1cc(C)c(Nc2nn(CN3CCC(C)(C#N)CC3)c(=S)s2)c(Cl)c1	779878402	JKHMCDQHPVXAJB-UHFFFAOYSA-N	407.996	5.271	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl	780820140	ZQHCTZGSJBSCLF-LLVKDONJSA-N	418.671	5.065	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3ccc(C#N)cc3Cl)c21	788360793	NROPNWCZVJPIBB-NTMALXAHSA-N	408.885	5.405	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1	789451646	ZXSUAYKLBTVKPX-HXUWFJFHSA-N	421.541	5.550	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	789719431	PVBCOYOQIRISRN-IBGZPJMESA-N	410.945	5.179	30	20	HKED	
O=C1COc2ccc(/C=C(\C(=O)c3nc4ccccc4s3)c3ccccc3)cc2N1	794936605	BXFHMLYMPWMHKK-ATVHPVEESA-N	412.470	5.051	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\Sc3cc(F)ccc3F)n2)cc1	797944212	AJSCFXACQJTNFJ-PTZVLDCSSA-N	423.469	5.442	30	20	HKED	
CSc1cc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)ccc1N	914898169	PAGHFDVJJLNDOR-UHFFFAOYSA-N	402.519	5.047	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1	915352340	KEDVUSVNHFFHEN-NRFANRHFSA-N	407.420	5.265	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCCOc2ccc(F)cc2)cc1	915354222	XQEJWVFXHUQTTG-XMMPIXPASA-N	417.484	5.462	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)CC1=O	916846102	HWMPONNEZAZAEN-BQFCYCMXSA-N	417.534	5.039	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C2SCCCS2)cc1	916883101	NWSSYGRISUCXAB-KRWDZBQOSA-N	416.955	5.170	30	20	HKED	
Cc1cccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c(Cl)c12	916910164	FSEKYGOXFWGUEX-NSHDSACASA-N	403.290	5.478	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1	916974539	LIYDZCATNCNMMW-IBGZPJMESA-N	420.494	5.095	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1	918046955	IMGPDWWMZPGCBE-UHFFFAOYSA-N	412.537	5.639	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(CC)Cc2ccc3ccccc3c2)c1=S	919953971	QYUQQUSPZUUSSV-UHFFFAOYSA-N	415.566	5.295	30	20	HKED	
Cc1cc(CC(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)n1-c1ccc(Cl)cc1	920112859	JRZLUZGKIOKAMV-LJQANCHMSA-N	403.869	5.308	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4)o3)n2)cc1	920140955	LDBUAPWYKFAONN-LJQANCHMSA-N	424.485	5.146	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1	1790290399	WIQBWLPHLWBEOW-QHCPKHFHSA-N	413.521	5.074	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)C1	1805453469	HITHMYJEWOQMFB-DEOSSOPVSA-N	422.613	5.180	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1	15245529	YPIDMULGUZFJFD-KRWDZBQOSA-N	407.930	5.047	30	20	HKED	
C[C@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)Nc1ccccc1C#N	18655675	VQAVVFGGONJOFR-LBPRGKRZSA-N	406.488	5.172	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1cccc(C)c1	25547014	PDJJXKYHZWUYGB-UHFFFAOYSA-N	411.481	5.477	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCc2ccco2)c1	47603836	KDAYOWWAPACGNA-UHFFFAOYSA-N	403.482	5.312	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-]	58989349	JGQZQBYOBQLWGG-LJQANCHMSA-N	405.841	5.464	30	20	HKED	
CCC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)c(Cl)c1	60709553	DDMGWPCKROVUPM-KRWDZBQOSA-N	424.715	5.115	30	20	HKED	
COc1ccc(-c2cnc(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1	63891094	NLMGUMWWVRHYFU-UHFFFAOYSA-N	421.522	5.124	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1	65869948	GACPSRQTLSEUHP-UHFFFAOYSA-N	420.896	5.667	30	20	HKED	
Nc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(N)cc3)c3ccccc23)cc1	139354194	QYUAYJVIBVPCQX-UHFFFAOYSA-N	408.504	5.957	30	20	HKED	
C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(CNc2ncc(C#N)cc2Cl)cc1	302167684	PGJPOUHWPQLUTF-ZDUSSCGKSA-N	423.307	5.312	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Br)c(F)c1	302987212	LSAGTHPYDVZZEC-UHFFFAOYSA-N	409.258	5.057	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(c2ccccc2)CC1	303158185	HEIKCSXWNZCDJY-UHFFFAOYSA-N	411.505	5.299	30	20	HKED	
COC(=O)c1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	303402730	SABXDRWDMWBTQF-GOSISDBHSA-N	424.909	5.059	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	303524387	VOLHPVHQSPDPOI-UHFFFAOYSA-N	418.305	5.200	30	20	HKED	
CCc1nc([C@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cs1	303680691	RSDSMVIYTMYRQQ-ZDUSSCGKSA-N	411.914	5.514	30	20	HKED	
Cc1c(-c2nc([C@H](NC(=O)c3ccccc3)C3CC3)no2)sc2ccc(C#N)cc12	426604479	UOJOAMZZRQPZMO-LJQANCHMSA-N	414.490	5.013	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2csc(-c3c(F)cccc3F)n2)s1	430614720	ZZXZRYNVFKPQOS-JTQLQIEISA-N	403.479	5.332	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCc2sc(Cl)cc21	433148254	QRFSPZQLGLHDMK-JSGCOSHPSA-N	405.976	5.995	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H](C#N)CCc2ccccc2)cc1	433306800	UAIDRNUOKLWMOL-JOCHJYFZSA-N	409.489	5.043	30	20	HKED	
O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N[C@@H](c1ccc(F)cc1)C(F)(F)F	433634896	JJWXPGNZEUVQAE-KBPBESRZSA-N	412.280	5.013	30	20	HKED	
N#Cc1cc(N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)nc2ccc([N+](=O)[O-])cc12	439132878	QPGWNOLOIVGCGR-JOCHJYFZSA-N	424.464	5.136	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c1	439774740	ZSWIFGSXCSGVKJ-UHFFFAOYSA-N	414.852	5.646	30	20	HKED	
CCCc1c(NC(=O)c2c(Cl)c3ccccc3n2C)cnn1-c1cccc(C#N)c1	440078752	NFAGFNUAJJSFRK-UHFFFAOYSA-N	417.900	5.094	30	20	HKED	
C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cc1nnc(-c2cccc(C#N)c2)o1	441063916	PAGFZAUGEAJJMV-BCHFMIIMSA-N	420.516	5.187	30	20	HKED	
C[C@H](CC(F)(F)F)NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444035833	SKOYXIRYSDAWBZ-LDYMZIIASA-N	410.280	5.339	30	20	HKED	
CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H](C)Cc1ccc(OC)cc1	444185477	QQJLILGOFGFQQT-LJQANCHMSA-N	403.526	5.047	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C[C@H](O)COc1ccccc1)C(C)C	446268819	HHWZSVMLHRHJCK-NRFANRHFSA-N	410.558	5.221	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1cccc(C)c1	446398661	OPLUNAARBUGKPB-UHFFFAOYSA-N	413.525	5.201	30	20	HKED	
C=C(C)CN1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1	461110629	HQKCGQNVTDVUHD-UHFFFAOYSA-N	408.508	5.064	30	20	HKED	
CC[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	461875440	HPFHNFOKJZYTCJ-MOPGFXCFSA-N	408.571	5.071	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2ccccc12	464803236	WXJAJLGOPMUGAS-OAHLLOKOSA-N	421.478	5.017	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCc3cc(C#N)ccc3F)s2)cc1	466203665	SZHHBABRHQXJFA-MRXNPFEDSA-N	422.529	5.340	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC[C@@H]3c3cc(F)cc(Br)c3)cc2)CC1	466297492	NNFFJCDWVYWGAB-LJQANCHMSA-N	413.290	5.121	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1ccc(F)cc1F)C1CCCC1	466599063	FWMPTLDRKKJSAZ-UHFFFAOYSA-N	414.456	5.019	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CCC[C@@]12CCCCO2	468642762	LZANLCCLNHLFQH-NQIIRXRSSA-N	416.930	5.152	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)n1	471257729	NCISBLVKSQMOFT-SECBINFHSA-N	406.298	5.175	30	20	HKED	
COCCOc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c(Cl)c1	471750997	OWUBXRPNZDHLFM-UHFFFAOYSA-N	412.898	5.218	30	20	HKED	
N#C[C@]1(NC(=O)c2oc3ccccc3c2COc2ccccc2)CCc2ccccc2C1	472263620	NPWGTYIGDHHELC-MHZLTWQESA-N	422.484	5.193	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1	472863255	GOZOOIKEUCEONN-UHFFFAOYSA-N	407.514	5.022	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(Cl)c(C#N)c1	474593243	QTVZFIDVTAFCPO-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1	475549701	UGGQLITXHBTQGQ-QGZVFWFLSA-N	404.514	5.395	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	475953770	KHWHWDCAWGFIDO-UHFFFAOYSA-N	421.541	5.257	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)s1	478569932	QOWWGTWBOHILCQ-QGZVFWFLSA-N	416.531	5.436	30	20	HKED	
CCN(C(=O)c1sccc1C#N)[C@H](c1cccnc1)c1csc2ccccc12	480968963	URRJDFUOMIZJJW-HXUWFJFHSA-N	403.532	5.481	30	20	HKED	
C=C(C)[C@H](NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)c(F)c1	481580786	LNKULOWDRXBHOE-SFHVURJKSA-N	409.358	5.441	30	20	HKED	
C=C(C)[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c(F)c1	481585054	HMMHLVNNJCZTSL-QRQCRPRQSA-N	415.509	5.205	30	20	HKED	
CC(C)COc1ncccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	483442461	URVQRGARYLPMIG-UHFFFAOYSA-N	415.493	5.014	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)CSc2ccc(C#N)cc2)c(C(F)(F)F)c1	483527886	RJNKKJNZNRGZSJ-CYBMUJFWSA-N	424.513	6.198	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC2(CC1)OCCc1ccsc12	485184268	BCXTZQRMMYNGSB-UHFFFAOYSA-N	413.905	5.029	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](c3ccccc3)c3cccnc3)c2)c1	488614512	AQUMATBSJWHUEZ-HHHXNRCGSA-N	405.501	5.411	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc4cc(Cl)ccc4n3C)o2)cc1	489796140	IZTHLWISVJLAAS-UHFFFAOYSA-N	412.902	5.134	30	20	HKED	
COc1cc([C@H](C)NCc2cc(C#N)ccc2Br)ccc1OCC(C)C	492579530	AIEGRYVNIYCWNB-HNNXBMFYSA-N	417.347	5.215	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	496672667	VKCLFXVDNQFEKM-UHFFFAOYSA-N	413.477	5.176	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1	503408123	RFXBMQYQFARWBL-XDHUDOTRSA-N	424.566	5.740	30	20	HKED	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(C#N)ccc1Cl	505519808	MCBUPYOYRKHEMO-UHFFFAOYSA-N	424.715	5.009	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccccc1F	505928600	QUVULFRXAGKXLJ-HXUWFJFHSA-N	417.465	5.254	30	20	HKED	
Cc1cccc([C@@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(F)(F)F)c1	510465773	WCDSDVAZIDQWPG-MGPUTAFESA-N	421.488	5.221	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1CCC(F)(F)F	513280680	CSUDEWQFPBOEOI-INIZCTEOSA-N	407.329	5.744	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1	513551801	UGEBWTPTQHWRBN-SFHVURJKSA-N	419.550	5.060	30	20	HKED	
N#CCCCOc1cccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1	515616358	ZBSAULFWBLWHCK-UHFFFAOYSA-N	402.450	5.179	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4c(C)cccc4c3C)n2)cc1	516714297	ZYEKBMRPSPJDRA-GOSISDBHSA-N	402.475	5.672	30	20	HKED	
COCCN(Cc1cccs1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	517128162	MXCGZCNQLYYXJX-UHFFFAOYSA-N	407.495	5.093	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2c(-c3cccs3)nc3ccccn23)c1	518377330	HKIBHEVLMIITII-UHFFFAOYSA-N	416.506	5.122	30	20	HKED	
CC(C)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1	525458597	NQRDOMIRXLSVFC-RBUKOAKNSA-N	402.416	5.250	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c(Cl)cccc3Cl)c2)c1	530623285	GTEXKOQNUFQZMW-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)c2)n1	531352924	FTERPGLRXLARCK-KRWDZBQOSA-N	417.412	5.012	30	20	HKED	
Cc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1[C@H]1CCC[C@H](C)C1	533887096	ADAWHKHYLNPXTM-WMZOPIPTSA-N	421.570	5.181	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1Cl	534885769	SFQLRNOBUSCHQJ-UHFFFAOYSA-N	408.807	5.418	30	20	HKED	
CCOc1ccc(F)c(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1F	540225757	FBDUDFUJWXIMRH-UHFFFAOYSA-N	407.420	5.224	30	20	HKED	
N#CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1	541974975	FANGHOJVCMHSHL-UHFFFAOYSA-N	415.902	5.165	30	20	HKED	
C[C@@H](c1nnc(SCc2ccc(CC#N)cc2)n1-c1ccccc1)N1CCCCC1	543142358	BHSMUGVQSIJPNL-IBGZPJMESA-N	417.582	5.173	30	20	HKED	
N#CCc1ccc(-c2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)cc1	545040605	SZZBRGWSCWNOCW-UHFFFAOYSA-N	417.472	5.381	30	20	HKED	
Cn1ccc([C@H](NC2CCC(C#N)(c3ccccc3)CC2)c2ccc(Cl)cc2)n1	547279268	LJRBREIZRUTHTI-SHSGKGFPSA-N	404.945	5.157	30	20	HKED	
FC(F)(F)C[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1	551738879	NGNWINFERVMNLU-CQSZACIVSA-N	416.287	5.903	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCC3(C(F)(F)F)CC3)cc2Cl)c1	554212979	PCSWRZIOSWKRMP-UHFFFAOYSA-N	423.822	5.255	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cc(N(C)C)c1	559651475	MWHIENYOXSZDKX-CYBMUJFWSA-N	418.360	5.019	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)c2)cc1	571348872	RPVQXALSACBXOU-HQOBLLPJSA-N	420.509	5.043	30	20	HKED	
N#CCCn1cc(CNCC[C@H](c2ccccc2)C(F)(F)F)c(-c2ccccc2)n1	579738817	AZHCCZNUGRYDKK-OAQYLSRUSA-N	412.459	5.290	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CCCCCC#N	588837298	BHWBZRGRNCHYHQ-XLIONFOSSA-N	419.956	6.330	30	20	HKED	
C=CCN(C(=O)c1ccc2ncsc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603459245	FPLOQKALTJEGCB-UHFFFAOYSA-N	422.491	5.161	30	20	HKED	
CC(C)c1nc2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc2o1	603875300	ARUNXSGSPNVTKK-UHFFFAOYSA-N	401.422	5.247	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)CC3	604363871	SELFTDWMKBNVSC-UHFFFAOYSA-N	422.488	5.731	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1	609083026	LUEMWHCTESNHBO-HXUWFJFHSA-N	407.420	5.682	30	20	HKED	
COCCOc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	609164653	TVHGHNXQABYGOT-QFIPXVFZSA-N	420.896	5.273	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC1CCCC1	609376833	KCKBQXDTNHIKOF-MRXNPFEDSA-N	410.539	5.521	30	20	HKED	
Cc1cc(NC(=O)CNc2ccccc2S[C@@H](C)CC#N)ccc1Br	609431690	AOSYONJYGMPETH-AWEZNQCLSA-N	418.360	5.202	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(Cl)c1Cl	609435102	PAJNYCKYWAUJEQ-ZDUSSCGKSA-N	408.354	6.052	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)cc2)nc1	609499795	ZZBQAZUIDHIHAQ-XMMPIXPASA-N	409.489	5.428	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccnc1	609662280	ZYRQSNPZERXVML-MRXNPFEDSA-N	405.885	5.318	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(Oc3cnccn3)c2)sc2c1-c1ccccc1CC2	609906729	KPSQTOFCKXBUCN-UHFFFAOYSA-N	424.485	5.220	30	20	HKED	
COc1ccc(OC(F)F)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	609991207	KEWWGRONUYTKBQ-UHFFFAOYSA-N	409.392	5.164	30	20	HKED	
CC(C)n1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	610016359	UYCBZJYLZUZQQI-UHFFFAOYSA-N	409.877	5.103	30	20	HKED	
CC[C@](C)(NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nccs1	610048787	FPUQRNHNAMQEKZ-NRFANRHFSA-N	411.914	5.516	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)cc1Cl	610106886	JWDZUNJPHUJYTE-UGKGYDQZSA-N	406.844	5.077	30	20	HKED	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	610321665	RJEKJIJBKRYSOX-AZGAKELHSA-N	411.505	5.183	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1	610356938	CUWQSGHFFMAXGM-MZNJEOGPSA-N	417.484	5.050	30	20	HKED	
C[C@H](NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)c1cccc(C#N)c1	610408475	ZBBBDDCUJUGTDA-IBGZPJMESA-N	415.541	5.064	30	20	HKED	
Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1cccc(Oc2ccc(Cl)cc2)c1	611029799	GILMWSYKCOALIT-UHFFFAOYSA-N	401.853	5.071	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](C[C@@H]4CCOC4)C3)c2)cc1	611357681	CNWSHNNRHTVUCH-UXHICEINSA-N	405.498	5.021	30	20	HKED	
CN(C(=O)c1ccc(-c2ccc(Br)s2)s1)c1ccc(C#N)cc1F	611737504	AJHIKDRARWKEMB-UHFFFAOYSA-N	421.316	5.526	30	20	HKED	
N#Cc1ccccc1Oc1ccc(-c2nc(COCC(F)(F)F)no2)cc1Cl	612874035	IZCGIHXSNSLWPT-UHFFFAOYSA-N	409.751	5.133	30	20	HKED	
COc1cc(C)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC	674894318	JPOWYEHZUGNSSH-ZDUSSCGKSA-N	420.412	5.131	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	678204447	DFPNHJYTKAKNEP-INIZCTEOSA-N	422.344	5.680	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cccs1	685540832	ORJHWBJFBDMWJE-KRWDZBQOSA-N	400.935	5.100	30	20	HKED	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)c1	726801683	KHHMRBSGCPKEQV-ZHZULCJRSA-N	408.548	5.392	30	20	HKED	
C#Cc1cccc(NC(=S)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1	727086945	CTUASUFIYPAHEF-UHFFFAOYSA-N	422.557	5.066	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3cnc(-c4ccccc4)s3)cc2c1C	727263662	HBDOXTUELFYUBK-CMDGGOBGSA-N	420.515	5.411	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(F)c1	728062239	KVDSMSQJKQQJLN-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
CCc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	728174990	DKOAPDFAFYAEFI-UHFFFAOYSA-N	405.498	5.648	30	20	HKED	
COc1cc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cc(Br)c1O	729149094	BXMLRLKFMTVRBS-RUDMXATFSA-N	414.082	5.293	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCCC[C@@H]2c2ccccc2OC)c1=S	729989859	ZYBWVGBOFQKIFN-GOSISDBHSA-N	410.543	5.053	30	20	HKED	
COc1cc(/C=C\C(=O)c2c(C#N)c3n(c2C)CCC3)ccc1OCc1ccccc1	730084876	JORXZGSXPBFXHG-BENRWUELSA-N	412.489	5.098	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=S)N[C@H](C)c2ccc(Cl)cc2Cl)c1	733755583	VTGPFSJTQDKEQN-CZUORRHYSA-N	422.381	5.400	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc(CC(F)(F)F)c2)cc1	743092736	CFZXQJBHVYDHQY-NRFANRHFSA-N	409.411	6.091	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(F)c(Br)c2)cc1	744033971	XDRPYMSLXBAJLV-LRDDRELGSA-N	417.278	5.063	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	744062629	TZIPRCFYIIYNAI-HNAYVOBHSA-N	403.482	5.266	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(F)(F)F)c1	744063399	MUYAETDVBLJGMP-VEMDQMBVSA-N	413.424	5.504	30	20	HKED	
O=C(OCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	748136566	PKLBWFFREFTMCR-PZTMWDLRSA-N	412.292	5.214	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1c[nH]c2cc(F)ccc12	749452340	LDIVRJRIPOKJJS-RMKNXTFCSA-N	408.436	5.451	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)c(F)cc(F)c2F)cc1	752637525	QXNHNKVUZCOGBD-MRXNPFEDSA-N	413.374	5.220	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CC(=O)c3ccc(Cl)cc3)n2)cc1	760181721	AASPQPFBRSUTCJ-HNAYVOBHSA-N	422.937	5.857	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12	760801151	JDRKRWGUFSKEHG-UHFFFAOYSA-N	415.399	5.335	30	20	HKED	
CC(C)Oc1cc(O)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	762703467	QSUMSZWOBCVKTF-UHFFFAOYSA-N	404.491	5.455	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2c(Cl)cccc2Cl)cs1	763177993	AZXJNWHCBZHVEK-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)sc2c1-c1ccccc1CC2	764201666	OFOIZGNEPROLRV-UHFFFAOYSA-N	409.854	5.199	30	20	HKED	
N#C[C@H](COC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)Cc1cccs1	772735077	FOCAGVREVVVMEK-LLVKDONJSA-N	423.346	5.718	30	20	HKED	
CC[C@H](Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccc(C#N)cc1	774349879	DTFBAZCWZHVQPB-NRFANRHFSA-N	417.475	5.755	30	20	HKED	
C[C@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccc(C#N)cc1	775159867	FXTUQJBRZGWFQS-VIFPVBQESA-N	417.123	5.461	30	20	HKED	
C[C@@H](NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)c1ccc(OCC#N)cc1	776162131	BNFOAPLRAXHYRY-OAHLLOKOSA-N	406.448	5.636	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(C#N)cc2F)cs1	781106370	ALGIFGAOTCLDLI-POHAHGRESA-N	405.454	5.043	30	20	HKED	
CSCc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	787050721	LNJFDAYRPFHGAQ-YVEFUNNKSA-N	421.349	5.056	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)s1	797570697	JAAIPMNNFYXSPK-ZFOVBUMHSA-N	410.539	6.058	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CC1CC(c2ccccc2)C1	798733174	KBAATEJQXZJXFM-PGYGNJIDSA-N	422.550	5.004	30	20	HKED	
O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ncsc1C(F)(F)F	801678290	ICBLXCWNGRREHM-SECBINFHSA-N	423.256	5.641	30	20	HKED	
O=C(/C=C/c1ccc[nH]1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	802032655	SSNRLMIOVWZAEZ-VAWYXSNFSA-N	401.516	5.649	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Br)c(Cl)c1)c1nc2cc(F)ccc2s1	810577004	XUGIYAFVMKPTLC-LLVKDONJSA-N	423.694	5.270	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3ccc(C#N)cc3C2=O)cs1	811696455	SYWPDNMIODVLPU-MHWRWJLKSA-N	419.893	5.175	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cnc(Cl)s2)c1	819632636	NLMIVDPROCFJDI-UHFFFAOYSA-N	404.278	5.044	30	20	HKED	
COc1cc(C=NOCc2cc(Cl)ccc2OC(F)F)cc(Cl)c1OC	823658078	IYQURXWRCBKRHY-UHFFFAOYSA-N	406.212	5.163	30	20	HKED	
COc1ccc(-c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)cn1	904528476	HNRLYOSOQNSPGB-UHFFFAOYSA-N	421.272	5.097	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)no1	916683814	LHPAQWUALNGUFM-KNQAVFIVSA-N	420.900	5.661	30	20	HKED	
C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	916838605	XTBGLTMXIRIUNC-IBGZPJMESA-N	403.501	5.819	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	916976112	KHKSWOMKHFVZSF-KRWDZBQOSA-N	401.318	5.926	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916977703	WYCLTIOUSMCTBK-MRXNPFEDSA-N	417.317	5.544	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Br)o1)c1nc2cc(Cl)ccc2s1	917043686	MIEVSXNOJXPFSZ-FWEMWIAWSA-N	407.676	5.195	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1cccs1)Cc1cccs1)c1nc2ccccc2s1	917062595	FNLPWZFPECIJFA-QGZVFWFLSA-N	423.588	5.298	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1ccc(F)c(-c2cccs2)c1)CCCC3	917532296	QFEZYMZLLDZOFL-UHFFFAOYSA-N	409.511	5.087	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2c[nH]c3ccccc23)cs1	917560088	GVCDFQCYXIPNEG-DHZHZOJOSA-N	421.909	5.859	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(CC(C)C)cc2)cs1	917563930	SUXXVYPKHNIWSZ-SDNWHVSQSA-N	418.562	6.231	30	20	HKED	
CC(C)c1cccc(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	917574119	HPAIRPQLVJGOMP-UHFFFAOYSA-N	401.535	6.070	30	20	HKED	
Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)NC2=O)cc1Cl	917636138	PYRRIYFHLMNLJK-SFHVURJKSA-N	415.946	5.020	30	20	HKED	
N#C[C@H](C(=O)CCc1c[nH]c2ccccc12)c1nc(-c2c(F)cccc2F)cs1	920803676	AGHSZPHFKXBNKX-OAHLLOKOSA-N	407.445	5.379	30	20	HKED	
N#C[C@H](C(=O)COc1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	920805922	HDOXBTZKNGPJND-MRXNPFEDSA-N	420.440	5.497	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4n3C)CCC2)cc1	1791248251	XKUXUAFDRQVVOX-SFHVURJKSA-N	415.537	5.138	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1Cl	16095836	PZJDPMQQMUEUTQ-IBGZPJMESA-N	418.852	5.074	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(C(CC)CC)cc1	22805336	LBWYIWQVWAXAKN-UHFFFAOYSA-O	411.635	5.940	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	26660859	XTLPFSAIDNZNMO-KRWDZBQOSA-N	402.519	5.599	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)oc2c(C)c(C)ccc12	32788443	KUVOSRACPIYSOR-UHFFFAOYSA-N	417.534	5.070	30	20	HKED	
COc1cc(OC)cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	46861722	BVWSTEPRGNMDKH-NRFANRHFSA-N	406.869	5.265	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1ccc(F)c(F)c1	60423876	DYIRFDDXBZXPKF-ZDUSSCGKSA-N	405.445	5.314	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)n1CC(F)(F)F	65852559	DWIZYEOGYWIZTE-UHFFFAOYSA-N	413.399	5.584	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccccc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1	97261757	VCNMMDBOYRLPSD-OAHLLOKOSA-N	422.872	5.278	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1C	146805930	KFGNDSPTVHRECR-OAQYLSRUSA-N	419.488	5.119	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cc(OC)c(OC)cc2-c2ccccc2)c1	236897608	VZGNGEQWXOWRFQ-JOCHJYFZSA-N	416.521	5.342	30	20	HKED	
C=CCc1cc(CN[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc(OC)c1O	237476169	XKNIMHFBXICRPH-HNNXBMFYSA-N	424.566	5.421	30	20	HKED	
COc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1SC[C@H](C)C#N	303395467	PLOMFNSWUQBZKT-CQSZACIVSA-N	403.935	5.041	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccs2)CCCCC1	303706692	BWWFBDNBMNZUPM-UHFFFAOYSA-N	417.534	5.956	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(Br)cc1	431469183	BVMLORVXYSKNKY-CZAAIQMYSA-N	411.343	5.241	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(Cl)cc(F)cc1Cl	431492783	FXCBYWSXOSPTTD-UHFFFAOYSA-N	416.239	5.752	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1F	434089505	OECUPFQWLLMOGY-UHFFFAOYSA-N	418.424	5.100	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1	436186714	JOFPNLAPNJNSRQ-UHFFFAOYSA-N	412.950	5.190	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)cc1F	437479604	JTDFZISTGSSFNS-UHFFFAOYSA-N	419.437	5.387	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2o1	438050237	DDZDQBVMMQRPJR-JPYJTQIMSA-N	408.498	5.027	30	20	HKED	
Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)C(C)(C)C	438147787	DHSBOHHLEHEUIC-IFMALSPDSA-N	418.541	5.283	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([C@@H]2CCCO2)CC1	439223327	NBUGOTSUBBXFCI-QHCPKHFHSA-N	405.498	5.082	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1N[C@H](c1ccccc1)c1ccccn1	440667174	IBDPIROBKTZMCZ-OAQYLSRUSA-N	415.294	5.465	30	20	HKED	
CC[C@](C)(NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1nccs1	440696524	IZXCTKQRFYLHJT-QHCPKHFHSA-N	407.539	5.017	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)ccc1NC(=O)CC(C)C	441508930	ARMGWIYOYCAPRH-UHFFFAOYSA-N	419.403	5.002	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cc1	442297258	VNZYTHRTQRZKMW-UHFFFAOYSA-N	414.292	5.157	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cs1	442672830	RQLCJWROSRZABH-OAHLLOKOSA-N	409.923	5.872	30	20	HKED	
N#CC1CCC(CNC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CC1	442980148	HIPAAWDYYTUVRN-UHFFFAOYSA-N	409.599	5.626	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2SCCc3sccc32)sc2c1-c1ccccc1CC2	443881649	SJADHFRQVURVSE-LJQANCHMSA-N	408.573	5.416	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C1CC1)[C@H](C)c1ccco1	444398877	RUSHEKOPVBJNCX-GOSISDBHSA-N	415.493	5.796	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)s1	444809140	CDRZETAWYNXWBG-LLVKDONJSA-N	406.754	5.656	30	20	HKED	
C=CCOc1cccc(NC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)c1	446222593	RAFIXDREXVHSBG-SFHVURJKSA-N	417.303	5.001	30	20	HKED	
N#Cc1ccc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)c(F)c1	448120633	YYFXNPYMAZBQGP-WUXMJOGZSA-N	406.360	5.341	30	20	HKED	
N#Cc1cc(NC(=O)c2sccc2C#N)ccc1Oc1ccc(C(F)(F)F)cc1	464290823	AXALBNCGDDITKK-UHFFFAOYSA-N	413.380	5.555	30	20	HKED	
CCCCOc1ccc(-c2nnc(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)o2)cc1	464825700	XZNOPWISQCKRSJ-XZOQPEGZSA-N	416.525	5.187	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1	464975014	WOVNMTBXPPUKPE-OAQYLSRUSA-N	412.489	5.297	30	20	HKED	
COc1cccc([C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccccc2Cl)c1	466045716	WAXDEIYTEFFFPY-HSZRJFAPSA-N	419.912	5.151	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccsc4)C3)cc2)c1	467556167	XIYDQSPCRKAVOV-NRFANRHFSA-N	405.479	5.017	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C(F)(F)F)o1	471727608	QMVZUFMCCGZTTL-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nn(-c2ccccc2)cc1C	471735817	IRKNJOIVJACUSU-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
C=CCCOCCCCC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1	472252478	SHHUAJGAAQJJGP-SFHVURJKSA-N	401.494	5.085	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	472751552	LEFZSBGVJUAXSB-ROUUACIJSA-N	416.550	5.883	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	474737298	NEGRCTZLYKFMIQ-DLBZAZTESA-N	419.912	5.663	30	20	HKED	
N#CCC[C@@H](NCc1ccc(OC(F)(F)F)c(Br)c1)c1ccccc1	474889348	RCUZRKYQMCZASV-MRXNPFEDSA-N	413.237	5.482	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1	475551811	YXZSFZSKICDORF-JOCHJYFZSA-N	419.569	5.355	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)CCc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	479205268	MYVVOWSXOPOULV-CQSZACIVSA-N	409.942	5.454	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	482104460	MUYOCPZUXGLLOT-UHFFFAOYSA-N	402.450	5.400	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@H](C#N)c2nccc3ccccc23)c1	483231726	FUQKERWHPSFKRM-OAQYLSRUSA-N	423.859	6.042	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1	487222416	LAKVUFRUGSKGAY-UHFFFAOYSA-N	400.331	5.761	30	20	HKED	
C=CCn1c(SC[C@H](OC(C)C)c2ccccc2)nnc1-c1ccccc1OC	488242924	JUDNTOYFGGIOMD-NRFANRHFSA-N	409.555	5.398	30	20	HKED	
C=CCCCCCN1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1	488440077	PHMHJWGPLXVRGY-UHFFFAOYSA-N	400.460	5.041	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1ncc(C(C)(C)C)o1	489630727	GDFZARZZWDAOSX-MRXNPFEDSA-N	412.559	5.490	30	20	HKED	
C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1	489974269	WVTHQXBSPCSSTO-MHECFPHRSA-N	410.521	5.474	30	20	HKED	
CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	496575961	XDOYLKOMNBRFJW-MHZLTWQESA-N	411.549	5.647	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1	498426473	VCGFJVLKKAFMMW-UHFFFAOYSA-N	422.916	5.142	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nc2sccc2c1=O	501581814	HCKRWYCHDFVNDS-UHFFFAOYSA-N	415.927	5.245	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(F)c(F)cc1Br)c1ccc(Cl)c(Cl)c1	505959192	DUBBPIHEBXKTAS-CQSZACIVSA-N	420.040	5.029	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(OCCCC)CC1	508477711	MWYVQKIRDJQSPD-UHFFFAOYSA-N	421.010	5.195	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)[C@H](C)Oc3ccccc3C#N)c(C)c2)n1	508507968	FVHAKUXIQMZSQN-HNNXBMFYSA-N	409.536	5.189	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)c2ncccc12	510496507	PGABRHBYPLNOEW-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(-n2cccn2)cc1	510643652	GTEYQBLULFTRFG-UHFFFAOYSA-N	423.476	5.166	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	510656727	GQHTVIKJGMEULF-KRWDZBQOSA-N	401.466	5.584	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)c(F)c3)n2)cc1	511761230	ZTZCGKNNFRPKEM-SFHVURJKSA-N	401.466	5.538	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1	513112809	FRJATSRPNQOUKE-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)c1	513316698	GKJQCKBBAXLTDV-UHFFFAOYSA-N	420.790	5.840	30	20	HKED	
C=CCn1c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1cccc(C)c1	514984999	FHCYGVGXUXETLJ-NRFANRHFSA-N	420.582	5.219	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc(C)c1OC(F)F	518091113	DPJSHDNVLTYNEQ-ZDUSSCGKSA-N	405.351	5.140	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)n1	518910035	VOGOIMOXUBKRJN-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc2ccccc2nc1O	520388202	HWEDLEZWQUTTIX-OAHLLOKOSA-N	423.563	5.064	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)c2)c1	522303034	IFOICYJFWNAJEY-QFIPXVFZSA-N	416.908	5.420	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	522888536	UZCUXQBSVDOSOM-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	523088695	WMADAPJKHMLEOO-CABCVRRESA-N	406.473	5.917	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1occc1COc1cccc(C#N)c1	523275552	BNQBVFMQHPPYNG-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccccc2s1	524436046	JHDPPCGBOHMJMP-UHFFFAOYSA-N	413.502	5.414	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc3ccsc3c2)cc1	525658283	QTQVNQFWZXIOOF-UHFFFAOYSA-N	401.447	5.221	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1	532489790	KMNMDFXCKBHEHH-UHFFFAOYSA-N	418.566	5.418	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(C2(C#N)CC2)cc1	537483346	QYJSDGMNBBBIJQ-UHFFFAOYSA-N	412.537	5.117	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1)O[C@H](C)C2	538072807	RJLLQHLFUDCZTH-HEFCMCLBSA-N	424.928	5.090	30	20	HKED	
Cc1cccc(C)c1OC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1	540424197	IHWIOYRJPVAFNN-QHCPKHFHSA-N	424.504	5.135	30	20	HKED	
C=CCC[C@H](NCc1noc(Cc2ccc(Br)cc2)n1)c1ccccc1	540456291	JITUBGFKZKSZJJ-IBGZPJMESA-N	412.331	5.220	30	20	HKED	
C[C@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	540592227	WMZIQGIOOWIVTH-QMHKHESXSA-N	424.953	5.055	30	20	HKED	
COc1ccc(CNc2nnc(C(C)(C)c3ccccc3)s2)cc1OCCCC#N	540791718	MJUYWZUBDNYTFL-UHFFFAOYSA-N	422.554	5.167	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)Nc3ccccc3CCC(F)(F)F)n2)c(F)c1	541102349	BJTZVKXGYYKYAX-UHFFFAOYSA-N	417.366	5.022	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	542350442	UNCSXAOSNILKFN-UHFFFAOYSA-N	424.504	5.316	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NCC(=O)N(CCC#N)c3cccc(C)c3C)oc12	542586673	HIOPULGJZZYONM-LJQANCHMSA-N	419.525	5.046	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc([N+](=O)[O-])cc1F	543469531	NAHZUFRWAWSICR-CQSZACIVSA-N	405.385	5.140	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	548955229	ZNCCTYHUBNWCJR-HXUWFJFHSA-N	413.443	5.068	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc2ccccc2s1	553034694	OOCLUJQFKGLNMP-AWEZNQCLSA-N	413.593	5.562	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C2CC2)cc1	558990807	BDTRGYUEEIBUHX-OAQYLSRUSA-N	413.443	5.402	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc3ccccc3n2C(F)F)n1	559982479	FYXHLXPIILKIOE-JTQLQIEISA-N	412.387	5.879	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccccc1	560128735	REVNZPIOQLDIMS-QGZVFWFLSA-N	416.493	5.079	30	20	HKED	
N#Cc1c(NC(=O)c2cscc2Br)sc2c1-c1ccccc1CC2	571080769	BMTYJFOLHKRERD-UHFFFAOYSA-N	415.337	5.462	30	20	HKED	
O=C(Nc1cccnc1C(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	573283847	CDXXHVLPWCGDST-INIZCTEOSA-N	421.316	5.222	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1	574312857	KINPEYZFXFMONP-SFHVURJKSA-N	409.555	5.322	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1	579990327	YDFOKTKJLPUANH-UHFFFAOYSA-N	415.342	5.300	30	20	HKED	
C=CCN(C(=O)c1csc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	585700311	OBHFVNZIOSUZAJ-UHFFFAOYSA-N	421.503	5.766	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1	590460104	JOEJAQGLNUTACY-UHFFFAOYSA-N	422.481	5.248	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	603968301	KLBMSJAVTPPXPY-UHFFFAOYSA-N	405.460	5.662	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCc3sccc3C2)cc1	609338646	ATEBGZAEUJRYGB-UHFFFAOYSA-N	417.534	5.373	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCCc4sccc4C3)c2)cc1	609338794	KKXFKZSWANQSIR-UHFFFAOYSA-N	417.534	5.373	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc2ccccc2s1	609377753	FABJGDWIJZKBJG-AWEZNQCLSA-N	413.593	5.420	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	609573036	ROAXHWDIDQIXRG-UHFFFAOYSA-N	420.900	5.841	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)n1	609646898	VEFQEQBPIZWNRN-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1F	610009793	QCHVPPGLCKJWJN-AUUYWEPGSA-N	420.550	6.040	30	20	HKED	
C[C@H](CC(=O)NCCSCc1ccccc1C#N)c1ccccc1C(F)(F)F	610169051	QBDOUNRKNRJETM-OAHLLOKOSA-N	406.473	5.120	30	20	HKED	
COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	610182469	VTFINFLNHFQYSV-RSXGOPAZSA-N	412.489	5.014	30	20	HKED	
Cc1sc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c(C#N)c1C	610220599	JLYHXCABUISRRF-UHFFFAOYSA-N	419.293	5.378	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	620304480	CRMJKUMDZBKMQD-CQSZACIVSA-N	420.444	5.277	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1	730164157	SNILIGSHSOGFOV-UHFFFAOYSA-N	401.441	5.342	30	20	HKED	
Cc1ccc(-c2ncc(/C=C\C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)s2)cc1	735232142	IRXYXVPZZIKHNS-FLIBITNWSA-N	419.474	5.011	30	20	HKED	
CN1C/C(=C/c2cnc(C(C)(C)C)s2)C(=O)/C(=C/c2cnc(C(C)(C)C)s2)C1	736430762	GYLIDYZISDHHAI-DJJIWSAGSA-N	415.628	5.176	30	20	HKED	
CC(C)c1ccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	739160593	ULDHCZKWCMIJDJ-VGOFRKELSA-N	413.546	6.175	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)c2)s1	739596536	XCFJPBPTLBIYIY-UHFFFAOYSA-N	400.425	5.164	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(-c2ccco2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S	739841727	PHNAUVKVPUYTSZ-CADBVGFASA-N	413.591	5.253	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H](Cc2cc(Cl)ccc2OC)C1)c1ccncc1	741408556	JOWBQJRMOBJZMC-DYESRHJHSA-N	413.949	5.025	30	20	HKED	
Cc1cc(C)cc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	745724782	WVDAQJRKLVNVDM-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
CN(C)[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1c(F)cccc1Cl	746125196	DHEZRMLDDNDJPI-XXBNENTESA-N	421.903	5.376	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cnn(-c4ccccc4)c3)c2)cc1	746348731	PTRKXSYYDRYKRY-XNTDXEJSSA-N	423.472	5.029	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1	747194139	UVJNMWRKGJGDHH-HRAATJIYSA-N	410.539	6.115	30	20	HKED	
C[C@@H](Cc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756527226	JEAPADBEBJGVQP-LIRRHRJNSA-N	405.910	5.390	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1	759464446	WMJFHNKDFLBZHC-UGSOOPFHSA-N	412.898	5.116	30	20	HKED	
N#Cc1ccc(Oc2cccc(-c3nc(-c4ccc(N5CCOC5=O)cc4)no3)c2)cc1	761738857	RSIUTJHLGOWQRE-UHFFFAOYSA-N	424.416	5.024	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c(F)c2)cs1	765612325	GCZPUAKGFFOWJE-UXBLZVDNSA-N	414.889	5.825	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cc1	766383128	UHNQXZDWWYUGGF-MRUHUIDDSA-N	414.933	5.339	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1ccc(COc2ccc3ccccc3c2)o1	767204024	JYCIGTQGHKLOGR-UHFFFAOYSA-N	401.384	5.040	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Br)cc2F)ccc1OC(F)F	767736847	QXZNIMMYZUFOHZ-QHHAFSJGSA-N	401.178	5.094	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3cc4c(cc32)CCCC4)ccc1OC	772978832	HOVLQSDKLOMWEK-GGAORHGYSA-N	420.553	5.258	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	773982330	FUPOCWHEOMHNRL-BLLLJJGKSA-N	401.318	6.097	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	775581096	GNWIWLLGZBKZID-HOTGVXAUSA-N	419.978	5.235	30	20	HKED	
C=CC[C@@H](C(=O)OCc1csc(-c2cccc(OC)c2OC)n1)c1ccccc1	778427915	GRMPGAACICZPTJ-GOSISDBHSA-N	409.507	5.230	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc3ccccc3s2)cs1	780188561	MISBQBLOPUJGCK-XFXZXTDPSA-N	418.543	6.247	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2cc(Cl)cc(C(F)(F)F)c2)ccc1OC	780531438	BFBMWRMHELPRLQ-KRWDZBQOSA-N	412.839	5.338	30	20	HKED	
C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	786581350	BYQMUEWWRIUZHR-NSHDSACASA-N	400.866	5.233	30	20	HKED	
C#CCOc1ccc([C@H](C)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	793568643	NMQVIIMRWFACDP-SBUREZEXSA-N	417.471	5.536	30	20	HKED	
Cc1cc(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)sc1Br	794734125	YKXWDNVGHUASLW-DAXSKMNVSA-N	401.285	5.297	30	20	HKED	
Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)sc2ccc(C#N)cc12	796615759	QHZCWMZRFBIIDX-NSHDSACASA-N	416.861	5.058	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cnc4ccccc4c3)n2)cc1	796663587	XXRJEXKGQVLHEB-HXUWFJFHSA-N	408.486	5.039	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	803520434	MKFPPSZTEUADLB-QHCPKHFHSA-N	411.505	5.003	30	20	HKED	
FC(F)(F)COc1ccc(N[C@H]2CCO[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	806158252	WHCXWUJQEDCHJC-JOYOIKCWSA-N	411.264	5.168	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)c(C(F)(F)F)c1	811624898	VUZMBUYYQBXKOQ-VGOFMYFVSA-N	410.467	5.040	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccccc1Br)c1cc(C(F)(F)F)ccn1	813213361	KZTYSHNKSUDNPY-CQSZACIVSA-N	411.221	5.062	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813213586	NZQMTHMCFNYRGL-PZJWPPBQSA-N	408.423	5.693	30	20	HKED	
Cc1c(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)sc2ccc(C#N)cc12	814281276	OYMJQTLCTQMPJT-UHFFFAOYSA-N	409.474	5.068	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1	815342163	MEUPMSZXFBNAQY-FOJYNEPKSA-N	419.521	5.023	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(F)cccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3	916847135	MJDXKXNDGOQQOD-LBPRGKRZSA-N	423.494	5.120	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C	916888255	UONLMNDSNVIYKL-JAFJLQOXSA-N	414.477	5.287	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)c1	916899117	OCABWFPJXFPGED-IUODEOHRSA-N	407.322	5.130	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1	916904077	VSFIYRAIVIVUEE-GOSISDBHSA-N	420.896	5.686	30	20	HKED	
CC(C)c1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916932191	RYDCYKQDMBAANF-MRXNPFEDSA-N	421.349	5.556	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2scnc2C)cs1	917560573	RPNPVBVXVBTDCT-VMPITWQZSA-N	403.916	5.142	30	20	HKED	
CC(=O)c1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	917600208	NYRWKQHYKTWVPQ-UHFFFAOYSA-N	421.909	6.015	30	20	HKED	
C=CCN(C(=O)/C=C/c1cnccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	918147429	JZWXGTNNKUCDEK-GQCTYLIASA-N	417.321	5.139	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1	919961894	MTOKIKPAXIIZMX-UHFFFAOYSA-N	416.502	5.388	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3nc4ccccc4s3)n2)cc1	920140457	CMZIYWPBMPOIEC-YDZSZYSISA-N	412.499	5.181	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1	1790953661	UQVUBJKSRLZQAB-UHFFFAOYSA-N	420.534	5.100	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832489347	TZQVVKKQLODIEF-PKTZIBPZSA-N	414.634	5.201	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1	15580383	KCRZQPLOFOJHFA-VWLOTQADSA-N	408.457	5.095	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	55039434	FMIDCVTUVKGYAA-HNNXBMFYSA-N	417.490	5.173	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1	56745383	KLYCZFLKHNCGFT-JOCHJYFZSA-N	417.465	5.157	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cs1	58688806	DOBMXRRCBJMUCU-UHFFFAOYSA-N	417.515	5.671	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C	65479769	UWIFLUHBYPNYBG-UHFFFAOYSA-N	409.505	5.027	30	20	HKED	
CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OCC	65627491	UJNBELLUQHHZMH-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1	65869873	QOWJUKGIYYUCTE-UHFFFAOYSA-N	414.958	5.275	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccnc3ccccc23)n(C2CCCCC2)c1C	111217003	RETVDLLTEVWTAG-UHFFFAOYSA-N	418.566	5.761	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cc(OC)c(OC)cc2-c2ccccc2)c1	237022054	VZGNGEQWXOWRFQ-QFIPXVFZSA-N	416.521	5.342	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc(C(C)(C)C)cs1	303249622	MSUXZGJDSJKQEU-UHFFFAOYSA-N	420.538	5.735	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)c(F)c2)cc1C	409816664	DYWGJJMRGDXUKA-UHFFFAOYSA-N	411.527	5.742	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	426305278	WBVHDGIGWLDBEV-HXUWFJFHSA-N	419.525	5.424	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)NCc2cccc(F)c2C#N)cc1OC	428322826	VFDJYGQUYBOWPQ-HSZRJFAPSA-N	404.485	5.097	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1	429787684	OTRRGQKWBAGEDR-JOCHJYFZSA-N	400.503	5.223	30	20	HKED	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H]2CC[C@@H](C#N)C2)cc1	430099083	FACLUCYSKUVRHL-WIYYLYMNSA-N	404.539	5.041	30	20	HKED	
N#CCC1(CN[C@@H]2CCCc3nc(-c4ccccc4Br)sc32)CC1	430748806	GKEJBLYPTQHBHC-OAHLLOKOSA-N	402.361	5.233	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccccc1	432841239	FQSPLQTVSFEXSB-QGZVFWFLSA-N	411.412	5.231	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1	433016924	VTAJDDZZOLZURH-FQEVSTJZSA-N	401.470	5.171	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	434954225	GWVCOFYVGHLFRC-JTQLQIEISA-N	424.398	5.244	30	20	HKED	
Cc1sc(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c(C#N)c1C	435173489	MGWOWNOMAXXEDF-UHFFFAOYSA-N	422.293	5.363	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]nc1-c1ccsc1	436406190	BNVBQTDTTORQEX-UHFFFAOYSA-N	414.490	5.150	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	437103260	ZMKPRWGRUDNLPL-QHCPKHFHSA-N	417.484	5.224	30	20	HKED	
N#Cc1cccc(OCCSCc2ncc(-c3ccccc3Br)o2)c1	437295371	PIADSOKRABQZMU-UHFFFAOYSA-N	415.312	5.288	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1c[nH]c2ccc(Cl)cc12	438042237	FUJWAGPDCIYRMU-AWEZNQCLSA-N	412.946	5.437	30	20	HKED	
CN(Cc1cccc(OCCCC#N)c1)[C@@H]1CCOc2ccc(Br)cc21	438492554	JXQJYTTWVOEGON-HXUWFJFHSA-N	415.331	5.087	30	20	HKED	
COc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1OCc1ccc2ccccc2n1	439083328	HSLPGOZMRHFYLE-UHFFFAOYSA-N	423.472	5.255	30	20	HKED	
N#CC1CCC(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1	441361362	ZAQLNQROQXANIB-UHFFFAOYSA-N	418.291	5.037	30	20	HKED	
CC(C)(C)CNC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	442670053	IAQBHRGXXABZKG-LJQANCHMSA-N	417.534	5.076	30	20	HKED	
CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	442742210	XCVLEKXDNUTQPL-ZGIUJUBFSA-N	407.480	5.313	30	20	HKED	
CC[C@@H](NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C#N)cc1	447574388	MRTIXFIBLCWFOX-JOCHJYFZSA-N	412.375	5.026	30	20	HKED	
N#Cc1ccc(NC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)cc1C#N	460105160	BMWHAZKVFDTYKB-OAQYLSRUSA-N	405.429	5.180	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1ccsc1	460960255	REIOOSLAVSJRGV-HXUWFJFHSA-N	401.539	5.472	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)[C@H](C)c2cccc(C#N)c2)nc1-c1ccccc1	462132876	SFVYKWQOMLVJSW-XMSQKQJNSA-N	413.521	5.804	30	20	HKED	
COc1ccc(OC(F)F)c(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	465253566	MXSQSOXFPRIKCJ-ZDUSSCGKSA-N	421.469	5.013	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN(CC2CCCC2)C1	466289561	VTFXFTMSVAJJHI-OAQYLSRUSA-N	418.541	5.045	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1ccc(C#N)cc1	466593414	PPPRDNGZJPAJHV-BFUOFWGJSA-N	416.294	5.068	30	20	HKED	
C=CCC(CC=C)C(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F	467526943	YGHMHCUDQKNZCN-UHFFFAOYSA-N	417.322	5.280	30	20	HKED	
C[C@H](c1nnc(SCc2ccc(F)c(C#N)c2)n1-c1ccccc1)N1CCCCC1	468633164	WMISIGGVDZRRMQ-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cc1	468635581	QXASIGLGEAZMOS-LJQANCHMSA-N	424.525	5.571	30	20	HKED	
COc1c(Cl)cc(Cl)cc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N	468856070	FZCVCOICTPTDSY-UHFFFAOYSA-N	418.324	5.197	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3-c3c(F)cccc3F)on2)c1	469298318	UENKQSRSBAEIOU-UHFFFAOYSA-N	401.372	5.411	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(C4CCCCC4)CC3)cc2)c1	473639964	KHAMLHVKSQGDLF-UHFFFAOYSA-N	418.541	5.269	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1nc2ccccc2n1C	473672374	ASYGDTCYSRRTAL-HNNXBMFYSA-N	407.543	5.024	30	20	HKED	
Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)cc1Cl	475125888	XQTUGSVCPKZBQR-UHFFFAOYSA-N	414.943	5.225	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(-c2cccnc2)cc1	475604694	WELCEJWAPIHLOY-MSOLQXFVSA-N	416.550	5.883	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1ccnc(C#N)c1	476152901	PRZYJOXJALIUQJ-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1	476176778	ZCYDHENXVKJTLP-GOSISDBHSA-N	408.567	5.252	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1C(CC)CC	478690265	IDPIZLXKPNGMBO-UHFFFAOYSA-N	417.513	5.426	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1Br	478739686	LMERGHNWKCNWMS-YJBOKZPZSA-N	418.722	5.406	30	20	HKED	
C=C(C)[C@@H](N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1	480673021	UHSMZQFMKVDFPY-ZUOKHONESA-N	412.402	5.608	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[C@H]1C(F)(F)F	482059219	FPQHWMYLYORIDK-HXUWFJFHSA-N	416.443	5.188	30	20	HKED	
C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(Br)cn1	482966401	VUIJTEXUQUXIDX-GOSISDBHSA-N	420.354	5.395	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COC(F)(F)F)cc3)n2)cc1	483456593	SJRMDDQLFHKMDC-KRWDZBQOSA-N	416.424	5.645	30	20	HKED	
COc1cccc([C@H](NCc2ccccc2C(C)(C)C#N)c2cc(F)ccc2OC)c1	486564133	JWLCOCUIESPKIP-VWLOTQADSA-N	418.512	5.523	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(F)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2	487986078	SSTNACQQRHPGPU-KBPBESRZSA-N	407.514	5.079	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccnc(Oc2ccc(F)cc2)c1	488243348	WTYUBSGQPZINAP-UHFFFAOYSA-N	406.367	5.323	30	20	HKED	
C[C@@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)Cc1cc(C#N)ccc1Br	489055929	VSSGVKOOPQXACR-AWEZNQCLSA-N	420.372	5.294	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2cccc3ccsc23)nnc1-c1ccco1	501624116	AKWQXKPNEAPWPS-UHFFFAOYSA-N	410.524	5.060	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1	501639139	MYURYTGDUQMEOK-UHFFFAOYSA-N	407.992	5.175	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cnc(-c4ccco4)s3)c2)c1	504311065	DRIZFDFTDNIITB-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1	505058597	XMPLRCCUMSKTHA-HXUWFJFHSA-N	407.562	5.383	30	20	HKED	
COCC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccco1	505654779	CPDVXJCDJVLBQN-LJQANCHMSA-N	410.857	5.105	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)c2)cc1	510027996	WDMFUFIXPBAQDB-NBGIEHNGSA-N	412.489	5.248	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	510556416	ZERKRPOAICRYDI-MRXNPFEDSA-N	417.465	5.250	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)cc1	510826462	AKEXYNCYWMAORG-UHFFFAOYSA-N	421.500	5.861	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F	510906367	LUIAWBQRAPOTFW-INIZCTEOSA-N	421.447	6.162	30	20	HKED	
O=C(C1CCC(C(F)(F)F)CC1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	512391839	HODSUUHGAOFZHF-FVKWTLKZSA-N	411.361	5.471	30	20	HKED	
C=C(C)CN1CCC(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CC1	519270333	IDQKNNKOLZZGKL-UHFFFAOYSA-N	419.544	5.063	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)n1	519348934	XDRROQCPGDZUAZ-ZDUSSCGKSA-N	408.426	5.569	30	20	HKED	
CCCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OC	520200326	MAPCUGKBRFXYIB-LJQANCHMSA-N	423.557	5.284	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	521886355	TWKAUNZHJFHHHU-CPUCHLNUSA-N	424.125	5.240	30	20	HKED	
CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H](C)c1cccc(OC)c1	522305110	TWCOMIDXJXHPQX-LJQANCHMSA-N	414.505	5.369	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1OCC(C)C	524035197	ZSOXVQGZROAQFS-OAHLLOKOSA-N	411.889	5.058	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F	525044077	ZZIYDICTZRNGBW-UNMCSNQZSA-N	420.434	5.621	30	20	HKED	
Cc1ccc(OCc2nc(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)cc1	531210738	NCENGJBYGKKRKM-GOTSBHOMSA-N	403.551	5.302	30	20	HKED	
CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	533215882	IRYYTNYWKGUOKR-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(Nc2cnn(C)c2)c1	534912505	JYFNYSPTUBRCRI-UHFFFAOYSA-N	423.476	5.388	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C1CC1	534982202	MBLZKNDTJWDJKD-INIZCTEOSA-N	400.482	5.648	30	20	HKED	
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1	539756479	HZVNLWFUDFKCAA-KRWDZBQOSA-N	413.477	5.131	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541155984	HEUVDEAYMHEIOB-RTBURBONSA-N	413.521	5.697	30	20	HKED	
C[C@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542082783	BSRFLAJOUPDKBZ-SFHVURJKSA-N	422.488	5.441	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1	542932665	VKOCMHAESIDBIZ-LLVKDONJSA-N	414.399	5.167	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1	543966040	CRLHLVUPEVYDAT-GMAHTHKFSA-N	413.525	5.128	30	20	HKED	
CSCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	544011454	ASVAYNPGTINRFY-LLVKDONJSA-N	413.305	5.197	30	20	HKED	
CCCC(C)(C)N(CC(=O)Nc1ccccc1SCC#N)Cc1cccs1	555075365	YBLDMWDUSPBQQQ-UHFFFAOYSA-N	401.601	5.383	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1Cl	558868969	WYJCVJAACFGMLY-UHFFFAOYSA-N	424.682	5.231	30	20	HKED	
Fc1cc([C@@H]2C[C@H]2c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)cc(F)c1F	565507053	DEPJEVVTGMJYJU-YWPYICTPSA-N	416.296	5.836	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccc(C)c1	571723824	GTXXFHYIBKTWQU-HJOGWXRNSA-N	414.553	5.359	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F	576438506	PJOHVHKHSJKNGG-LBPRGKRZSA-N	419.447	5.999	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cccc(OC)c1	583662234	USIQFOSBNIBNOK-VGSWGCGISA-N	422.504	5.093	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)Cc2ccc(OC(F)F)c(OCC)c2)c1	589740554	YIEUSZDYMZJQHK-UHFFFAOYSA-N	420.456	5.306	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c2cnn(C(C)C)c2n1	592975305	ATGAVVROGPJDDP-HNNXBMFYSA-N	421.501	5.374	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nc2ccccc2[nH]1	603589444	KEJODQKHBJOQHU-UHFFFAOYSA-N	412.468	5.048	30	20	HKED	
C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	603656370	QHZSRLLKGQFEQN-KRWDZBQOSA-N	410.949	5.052	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1	603681736	TXBWEJTXDCFCIU-QGZVFWFLSA-N	410.439	6.007	30	20	HKED	
N#CCc1ccc(NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)cc1	603751303	SGZCNZVCKJMZBY-OAQYLSRUSA-N	421.294	5.274	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1	604019197	SDNOGUFNKTVQKZ-JOCHJYFZSA-N	414.509	5.359	30	20	HKED	
Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	608805188	ZSRGHHIAINUEBG-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)o2)c(C)c1	608929749	OUMLYTMACBSOAX-UHFFFAOYSA-N	420.538	5.009	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F	608996267	XLDUQKDXCLJRHG-SFHVURJKSA-N	403.404	5.345	30	20	HKED	
Cc1csc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	609047052	RBLDYLNFRISGTA-RDTXWAMCSA-N	410.930	5.643	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCO[C@@H](c4ccccc4)C3)cc2)cc1	609253008	ZAVKZAOVOXVOKC-XMMPIXPASA-N	413.477	5.346	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	609358543	VUCOCUBEMCRFMX-UHFFFAOYSA-N	401.470	5.011	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1cc(Cl)cc(Cl)c1	609399410	USHIAEDMCHWRAM-ZDUSSCGKSA-N	408.354	5.609	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2cccnc2)cc1	609427607	RAZGPINANVOPRR-KRWDZBQOSA-N	403.507	5.307	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Cl	609429089	CZXOATAKPPRMDB-LLVKDONJSA-N	401.340	5.188	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C1CCCCC1	609648680	OAJZWEZCSDBVRW-LJQANCHMSA-N	409.946	5.547	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOCc1ccc(Cl)cc1	611095391	YLQQFWCZWFQNLC-OAHLLOKOSA-N	403.935	5.073	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Cl)cn3)cc2Cl)cc1	611430855	FCKIKEGDTWJQBI-UHFFFAOYSA-N	413.264	5.374	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	612894583	BKJIMPUVUUQUFO-IBGZPJMESA-N	420.534	5.796	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613319488	FSNOGAOGGKYTKM-MRXNPFEDSA-N	412.946	5.522	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)n1	618750540	QBAHESDDQCQTGO-IBGZPJMESA-N	406.536	5.283	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccs1	619855035	HPDSSBPDALAEIE-NFBKMPQASA-N	405.571	5.060	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1	680170293	ZFTONYLESLGKQJ-INIZCTEOSA-N	407.351	5.399	30	20	HKED	
CC(C)[C@@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	727628967	PKFXCUOKZJIWEX-OXQOHEQNSA-N	413.493	5.566	30	20	HKED	
C[C@H](OC(=O)c1oc2ccccc2c1CSc1ncccn1)c1cccc(C#N)c1	727635247	GCYJGBMRXBUAEM-HNNXBMFYSA-N	415.474	5.305	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccccc2)cs1	728765769	QVAARLOJFHGSAL-SJORKVTESA-N	400.425	5.723	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	729891394	GYHHBYIFQOJGGH-SECBINFHSA-N	424.696	5.218	30	20	HKED	
Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1	730954675	HBHZXKMSNNUFBJ-UHFFFAOYSA-N	409.502	6.137	30	20	HKED	
COc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	730994249	HUXAVTGLVYULAF-BJMVGYQFSA-N	406.429	5.372	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)cc1	731977298	GRAPIMHGZWIRKD-UHFFFAOYSA-N	411.288	5.744	30	20	HKED	
N#C[C@@H](NC(=O)COc1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl	733258733	JSHQWTWCCVPYFH-CYBMUJFWSA-N	404.080	5.060	30	20	HKED	
O=C(/C=C\c1nccn1Cc1ccccc1)c1c[nH]c2cc(Br)ccc12	734094267	BATCBESLCLYOGC-HJWRWDBZSA-N	406.283	5.071	30	20	HKED	
CC[C@@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cccs1	734379418	VWQOESJIROHDJQ-HXUWFJFHSA-N	407.564	5.636	30	20	HKED	
O=[S@](Cc1cccc(N=Cc2cc(Br)ccc2O)c1)C1CCCCC1	734979890	VHWNBPPTKOZQRA-RUZDIDTESA-N	420.372	5.487	30	20	HKED	
CCC[C@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccccc1	735320254	OKPGIAJOSCRRGR-IBGZPJMESA-N	402.947	5.133	30	20	HKED	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)c2cncc(F)c2)cc1	737446408	RYNVHBKLJGSDGP-FMIVXFBMSA-N	413.452	5.037	30	20	HKED	
CCOc1ccc(OC)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740449753	MGKKZOMZTATPRS-UHFFFAOYSA-N	407.495	5.016	30	20	HKED	
O=C(/C=C\c1cc2c(cc1Br)OCO2)c1cccc(-c2ccncc2)c1	741473146	MMABHJPGWXTCOX-PLNGDYQASA-N	408.251	5.136	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)/C=C/c1cnc2ccccc2n1	741920181	HWOLFFGJTJHRNT-OUKQBFOZSA-N	424.891	5.401	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Cl)c1	744074631	NQQZHQMWGLVFGC-FZMZJTMJSA-N	402.853	5.722	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl)c1ccncc1	745828962	WUZLULIBIPWSIY-PKTZIBPZSA-N	423.919	5.889	30	20	HKED	
C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ncc(-c2ccc(Cl)cc2)o1	751706003	HJDOOTIYKSCAOP-CQSZACIVSA-N	405.841	5.391	30	20	HKED	
CC(=NOCc1ccc(SC(=O)N(C)C)cc1)c1nc2ccccc2n1C(F)F	753117474	JQRCBNKECJNIRJ-UHFFFAOYSA-N	418.469	5.146	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(Br)c(Cl)c2)c2ncc[nH]2)c1	754828259	RQPZZRUWBHQYNG-DHDCSXOGSA-N	417.690	5.258	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)ccc1OC	756706782	QDHOBDZUWTVKKR-TZMCWYRMSA-N	409.313	5.239	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccc(Cl)cc2Cl)nnc1-c1ccoc1C	759063435	FZWKIGFOIQGXJA-MRXNPFEDSA-N	410.326	5.165	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cnc(Cl)c(Br)c1C	760055532	APSZJTWGXRKABX-UHFFFAOYSA-N	412.690	5.165	30	20	HKED	
CCOc1ccc(C=NO[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc1OC	763169062	ODABMJMBLPKZPS-OAHLLOKOSA-N	414.889	5.822	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)C1CCN(C(=O)OC(C)(C)C)CC1	766237211	LOENIOYGNXMYSB-YLJYHZDGSA-N	421.541	5.084	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccco2)s1	766255012	MRJOITFSOPZKEW-CYBMUJFWSA-N	405.262	5.276	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1	767879376	DPFGLBREDNIXBQ-UHFFFAOYSA-N	418.497	5.544	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	774322279	YUZIWPCJXVNBQW-KSZLIROESA-N	424.472	5.302	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2ccc3ccccc3c2)cc1Cl	776076450	GCXHDTHSQGFOMB-HXUWFJFHSA-N	420.896	5.172	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3cccc(Cl)c3)cc2)CC1	776745325	DNWUOEYXOAYVFM-UHFFFAOYSA-N	415.880	5.400	30	20	HKED	
N#CCc1ccccc1CC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	777108212	KCUSPYXTOVUVOZ-HXUWFJFHSA-N	406.835	5.235	30	20	HKED	
C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1NC(=O)c1ccccc1	777314463	RTXWNVYQPZJLPC-SFHVURJKSA-N	410.473	5.412	30	20	HKED	
CCN(CC)[C@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1cccc(C(F)(F)F)c1	780403622	YREPZSSXDNOVPR-AEFFLSMTSA-N	423.504	5.545	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccccc1OCc1ccccc1	780676522	CMXWVWPWEGQCRB-RTBURBONSA-N	415.493	5.439	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(F)c1	781108318	PCZNNMUCPHADLG-VZUCSPMQSA-N	404.828	5.499	30	20	HKED	
CC(=NN(C(=S)Nc1cccc(Cl)c1)C(C)(C)C)c1cnn(C(C)C)c1C	787153002	HTXNAZXTIWCURF-UHFFFAOYSA-N	405.999	5.647	30	20	HKED	
COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1csc(-c2cccc(OC)c2)n1	787179297	PQVIOYLZEDFRDS-CLFYSBASSA-N	413.882	5.155	30	20	HKED	
N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nccc2ccccc12	792092412	BIRYQOIMHULMAW-KRWDZBQOSA-N	405.504	5.061	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C[C@@H](CC#N)c3ccccc3)ccc21	793442796	MYDKRAMEGMCGLB-LJQANCHMSA-N	419.525	5.400	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	799714095	GKELGMKWKHYARJ-YFHOEESVSA-N	412.927	5.007	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	799917726	XICONBDYSSYWBP-UHFFFAOYSA-N	416.433	5.447	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	802043184	SNEBBUAIFBWZPF-QZTJIDSGSA-N	420.406	5.188	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)Nc2cc(C#N)c3ccccc3n2)n1	809078751	RSTDABZFTRKIFK-UHFFFAOYSA-N	416.531	5.416	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1)c1ccccc1	812894828	SWWSMPQPOXHIFQ-RPBOFIJWSA-N	422.569	5.248	30	20	HKED	
Cc1csc(Oc2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2F)n1	816428252	HQDKQIDYGFDYKJ-UHFFFAOYSA-N	422.441	5.199	30	20	HKED	
N#CC1(Cc2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CC1	904671496	ZBOYODGERQTOIU-UHFFFAOYSA-N	420.778	5.442	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915124568	PRUSMOLOACYFEQ-QFIPXVFZSA-N	400.507	5.109	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1	915352242	IZLCSAJRXICQCE-AREMUKBSSA-N	424.548	5.128	30	20	HKED	
Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c1	916205829	RTCCWEBVDGDEQG-NRFANRHFSA-N	421.566	5.043	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1ccc(C(C)(C)C)cc1	916907332	LXURKWGDIDYTMJ-OAQYLSRUSA-N	422.594	5.549	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996742	PLGVTEZIQAUDQI-MRXNPFEDSA-N	413.329	6.025	30	20	HKED	
CCCOc1ccc(C=NOCc2cccc(C(=O)Nc3ccccc3)c2)cc1OC	917395397	MFLINGZGOLGXMW-UHFFFAOYSA-N	418.493	5.287	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cs1	917552399	PYNOOCFJSSCAJT-QGZVFWFLSA-N	406.555	5.636	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3c[nH]c4cc(Cl)ccc34)cs2)cc1	920068444	OHJMTDWQJFCQLE-OQFOIZHKSA-N	424.909	5.762	30	20	HKED	
CCN(CC)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	920851173	JZYAERMUNGUQGN-UHFFFAOYSA-N	415.541	5.179	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CSc4cccnc4C#N)nc(O)c23)cc1	1459074540	LKVKGIOMXMHHEI-UHFFFAOYSA-N	404.520	5.240	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)CCC1	1786614805	HXPYGEFTPNKLKO-HSZRJFAPSA-N	406.501	5.025	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)c(C)c3)cc2)CCC1	1787010778	MIZGDBSKRSRQJJ-QHCPKHFHSA-N	417.553	5.215	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCCC3(F)F)cc2)CCC1	1789166826	RNTPCDQIGHONIA-KSFYIVLOSA-N	422.491	5.250	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3ccc(C)cc3s1)C2	1844357105	AICKAMRTWCTYQH-UHFFFAOYSA-N	410.583	5.019	30	20	HKED	
N#Cc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1	10807658	LKIBVFGUDWJXAE-UHFFFAOYSA-N	420.877	5.198	30	20	HKED	
C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1cccc(C)c1	21991360	MJDXKDGJWUKPQJ-UHFFFAOYSA-N	402.523	5.204	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccc(C(CC)CC)cc1	22798349	MADYCWLTFZMKGL-UHFFFAOYSA-O	401.621	5.352	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1C1CC1	23517188	KVJUCRYZEJYTHO-QGZVFWFLSA-N	418.566	5.052	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nc2ccccc2c1=O	24047435	ZSEPXKNRPOZFFK-UHFFFAOYSA-N	409.898	5.183	30	20	HKED	
CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	48855719	KKADGVIBSYDOIQ-SFHVURJKSA-N	411.486	5.063	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(Br)c(OCCC)c(OC)c1	60677966	SFKWTUUQJMRGBM-UHFFFAOYSA-N	424.360	5.136	30	20	HKED	
C=CCc1cc(CNC(=O)N(CC=C)Cc2ccc(Cl)s2)cc(OC)c1OC	65388970	CZCJYGLSYZRVQU-UHFFFAOYSA-N	420.962	5.045	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1	108533332	GBCJPRZHPUONHA-UHFFFAOYSA-N	417.896	5.027	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cc3ccccc3nc2N2CCCCC2)c1	236900554	XNEOYTAIOGWURT-HSZRJFAPSA-N	414.553	5.196	30	20	HKED	
COCc1nc(Oc2ccc(C#N)c(OC)c2)c2c(-c3ccccc3)csc2n1	302900379	SMNBAIVOOABHPL-UHFFFAOYSA-N	403.463	5.177	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl	303270913	HHABCWODDQHEOJ-ZIAGYGMSSA-N	407.366	6.062	30	20	HKED	
CCn1c(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)nc2cc(C#N)ccc21	409999673	QADPIGIILXEDAK-UHFFFAOYSA-N	421.551	5.029	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	426089651	NYKDJNLGLLCEIZ-MRXNPFEDSA-N	421.438	5.530	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc2cccc(C)c2[nH]1	426694263	HTANAMYOSFBUJI-UHFFFAOYSA-N	424.504	5.202	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1Cl)c1ccccc1	427923322	FNXJCHICUDNBMN-CYBMUJFWSA-N	411.292	5.685	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	428902745	XEMIJIKCLGJFGW-UHFFFAOYSA-N	412.921	5.386	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(COc3ccccc3C#N)c2)s1	430630863	ZGOKUNPIKXRWBJ-LJQANCHMSA-N	415.518	5.381	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	430932709	GYHHVIGVLAGOPR-JOCHJYFZSA-N	423.488	5.227	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1	431214004	QNWBGWSXPZJCFM-PZJWPPBQSA-N	423.582	5.336	30	20	HKED	
CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	431592750	RIEQPWQATGBXJV-UHFFFAOYSA-N	414.893	5.062	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c1	431831486	GQGYSMZDDYKOET-KRWDZBQOSA-N	407.367	5.197	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1SC1CCCC1	432592080	ICTQQNRPOGXDHX-UHFFFAOYSA-N	407.539	5.340	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1OCCc2sccc21	432799352	BLOKFQVYZPPDLI-OYHNWAKOSA-N	419.506	5.236	30	20	HKED	
CCCc1c(NC(=O)Nc2ccc(Cl)c(OC)c2)cnn1-c1cccc(C#N)c1	433606227	GEYVYZRMDPEOTP-UHFFFAOYSA-N	409.877	5.002	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F	436020350	ZKXWBBFDWCKLAW-LLVKDONJSA-N	418.437	5.040	30	20	HKED	
C=CCn1c(S[C@@H](Cc2c(F)cccc2F)C(C)=O)nnc1-c1ccccc1C	436213976	ZOESQIBUNWEVNO-FQEVSTJZSA-N	413.493	5.010	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2cccc(Cl)c2s1	436399662	ZDRWOSITENDVPV-UHFFFAOYSA-N	423.881	5.270	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	438044209	XLIFUNGEAHOKEH-YFVAEKQCSA-N	404.539	5.242	30	20	HKED	
O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1	438932065	BAUPJVSEUSUKMF-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
COc1ccc2occ(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2c1	441303516	NJPABJRSHVCONC-HSZRJFAPSA-N	412.445	5.015	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)cc1	445588507	MMTZMMPROQASAG-UHFFFAOYSA-N	415.880	5.134	30	20	HKED	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	447075198	JGRUAYAOHDAPOV-UHFFFAOYSA-N	418.566	5.143	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1oc(-c2ccccc2)nc1C	462010287	SWBXRRGXSOYVPW-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1	464971519	HXQZJPVYZKCLKL-RCZVLFRGSA-N	412.489	5.167	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N(CC)[C@@H](c1ccc(Br)cc1)c1cccnc1	466879196	YHJSFYGZMHMNLP-UZLBHIALSA-N	401.348	5.384	30	20	HKED	
CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1OC(F)F	469144092	BYCQJNGNHWIAHM-IBGZPJMESA-N	413.468	5.434	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1	470683251	PMQONCVLESQCPS-SFTDATJTSA-N	420.900	5.114	30	20	HKED	
N#CCCSc1ccccc1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473663330	RLCKJKYKEIWRDM-INIZCTEOSA-N	406.338	5.217	30	20	HKED	
Cc1cc(Br)c(F)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	473865070	VKIVPUKTJPFNKX-UHFFFAOYSA-N	414.278	5.090	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1	475579944	WQYTVQYNUQRZLJ-XMMPIXPASA-N	421.585	5.506	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1C#N	477813490	IQKXHPUOTUGNPI-UHFFFAOYSA-N	411.958	5.226	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H]1CCc2ccc(F)cc21	481378090	SCJQEVDTQIOAQX-LIRRHRJNSA-N	400.544	5.579	30	20	HKED	
N#CC[C@@H](CC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1)c1ccccc1	483466812	XNTHGLYAKMOBRJ-WIOPSUGQSA-N	423.516	5.061	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12	483699702	OAWAZMMGLFLQEF-CYBMUJFWSA-N	410.568	5.081	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1	484465298	MKAKVIPPRKPJJP-MRXNPFEDSA-N	402.523	5.040	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2	485742991	AUUSTNLEVSDVSS-UHFFFAOYSA-N	421.591	5.232	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(COc2cc(Cl)cc(C#N)c2)cs1	487450816	VWPDJTXOPFKOLC-UHFFFAOYSA-N	411.914	5.494	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)cc2F)cs1)c1c(C)cc(C)cc1C	489089015	PWLMKAWPFXKYHI-UHFFFAOYSA-N	409.486	5.343	30	20	HKED	
CCn1c(NC(=O)c2ccccc2Sc2ccccc2C#N)nc2cc(C#N)ccc21	490795616	OSDOBNJLPWXHMZ-UHFFFAOYSA-N	423.501	5.203	30	20	HKED	
Cc1cc(C)cc(-c2nnc(SCc3cc(C#N)ccc3Br)o2)c1	492243915	XZUMMWZMKPILIY-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1	499851402	NMCJXOZVQWLWAR-QFIPXVFZSA-N	408.860	5.129	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1	501227694	DIGMWGGXYITVQN-HSZRJFAPSA-N	410.537	5.327	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	501619048	PIZICUMFMKTCAW-HRAATJIYSA-N	419.550	5.271	30	20	HKED	
C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nc(-c2cccs2)no1	501623794	MAJHYSYSNXPMTF-LBPRGKRZSA-N	420.519	5.667	30	20	HKED	
COc1cc(Cl)ccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	502428837	NLDWRAPLGTUKKD-UHFFFAOYSA-N	408.910	5.301	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1	503139670	NERLKUULZCUZFP-LBPRGKRZSA-N	415.490	5.592	30	20	HKED	
Cc1cc(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)nn1CCC#N	504370550	GHEBVCQZQDRCLU-UHFFFAOYSA-N	421.570	5.237	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	505777595	QCZYOGVQZSVVFE-OAHLLOKOSA-N	402.306	5.671	30	20	HKED	
C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1	505919054	NMOVSKCOQZZRLB-RBBKRZOGSA-N	417.553	5.077	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(Cl)c1	507549009	FNEOPXSWGOVPQI-CQSZACIVSA-N	416.930	5.202	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1c(F)cccc1N1CCCC1	509024262	PYVZZVDVJZDUMZ-UHFFFAOYSA-N	407.942	5.039	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccc(SCCOC)cc2)c1	509958263	OUUIRFCSOVNFHN-QGZVFWFLSA-N	400.544	5.263	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1[N+](=O)[O-]	511613908	QUNNWPOHUGQOIF-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
COc1ccc2cc(-c3nn(-c4ccccc4)cc3CN3CCC(C#N)CC3)ccc2c1	512682148	DGUFVEZIWISKDI-UHFFFAOYSA-N	422.532	5.437	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1	513671393	IAKZJGOHKIHDSZ-KRWDZBQOSA-N	402.397	5.753	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	514704468	YHVYDRMOYUTAHS-UHFFFAOYSA-N	424.526	5.025	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)cc1OC	515205800	AAUNXIJWFDRZNG-UHFFFAOYSA-N	420.465	5.017	30	20	HKED	
CCN(Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1)C(C)C	517492252	QILRHWXQUGUGFO-LJQANCHMSA-N	404.341	5.218	30	20	HKED	
N#C[C@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1	517605250	OCAODRCPDWHKNO-NRFANRHFSA-N	424.422	5.522	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2o1	519315173	VGVJRIYEKGFHEH-GFCCVEGCSA-N	414.273	5.748	30	20	HKED	
C[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(C#N)cc1	520961208	DRSIEULXIFUCPN-OAHLLOKOSA-N	407.857	5.763	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Nc2ccccc2)c1)c1ccc(Br)cc1	522794757	SHHQLTHDEJAKLW-HXUWFJFHSA-N	406.283	5.187	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1	522862816	KKBGRAFPOBQPQP-UHFFFAOYSA-N	421.859	5.156	30	20	HKED	
CCC(CC)[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccs1	524566643	XLORVDJTKORICM-FOIQADDNSA-N	401.601	6.299	30	20	HKED	
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1	524809983	JORXXIGFBBBSJM-UHFFFAOYSA-N	417.509	5.170	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Nc2ccccc2)c1)c1nc2ccccc2n1C(F)F	524931724	ICQVXTYNMBGOEQ-GOSISDBHSA-N	402.404	5.665	30	20	HKED	
Cc1nc(O)c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1-c1ccccc1	530934595	QSEYWWDIEDSQNA-SFHVURJKSA-N	412.276	5.064	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1cccc(C#N)c1	532322235	VEYDXICLOSIYBU-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
Cc1cc(C)n(-c2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)cc2F)n1	532727612	MFJOSUOJBBTCLJ-UHFFFAOYSA-N	414.488	5.018	30	20	HKED	
CC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(C)noc1C	533856652	YZPJGHQTBHGYRW-JOCHJYFZSA-N	418.497	5.209	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1	535712493	NQUJALZXLIJDLV-ZDUSSCGKSA-N	407.436	5.567	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(OCC2CCCCC2)CC1	537559750	VXYSBITZWGFNLE-UHFFFAOYSA-N	418.537	5.552	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)sc2nc(C(F)(F)F)ccc12	538074057	TYRAEYMMCRGBHU-UHFFFAOYSA-N	423.485	6.107	30	20	HKED	
COc1ccc(CNc2cc(C)n(-c3cccc(Cl)c3)n2)cc1OCCCC#N	539633291	CTSUZGMEQDNVRW-UHFFFAOYSA-N	410.905	5.137	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1-c1ccccc1Cl	539731141	UAPCDWHYPVUFPP-QUCCMNQESA-N	419.916	5.138	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2occc2-c2ccc(F)cc2)n1	541143175	GTRLJYTZXJVWBW-UHFFFAOYSA-N	406.804	5.049	30	20	HKED	
N#Cc1cc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)ccc1Cl	544873614	MEKSNACFNFGPNN-IBGZPJMESA-N	424.863	5.158	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(-c2nc(-c3cccc(C(=O)N(C)C)c3)no2)cc1	546285396	VXOSRRFFQOQPFX-UHFFFAOYSA-N	424.460	5.078	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3cc(-c4ccccc4)on3)c2)cc1	552623325	JKWLFGLZQVORFZ-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccccc3-c3c(F)cccc3F)C2)c(F)c1	553467194	BYGONDYDQUKLGM-INIZCTEOSA-N	421.422	5.108	30	20	HKED	
CCOc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1C	559722401	UPODONOTOTZQNK-UHFFFAOYSA-N	402.498	5.040	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2ccc(Oc3cccnc3)cc2)ccc1OC	566398761	OVNPKTGQPLFKTF-IBGZPJMESA-N	404.510	5.688	30	20	HKED	
C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	568935463	YCOIRYLWSZNGCZ-SFHVURJKSA-N	400.313	5.174	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2Cc2cn(CCC#N)nc2-c2ccccc2)c1	572022194	PJXKYYODWKDILM-CYFREDJKSA-N	400.526	5.055	30	20	HKED	
Cn1ncc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1-c1ccccc1	584798143	DFWBVEFCTVVSEU-UHFFFAOYSA-N	408.461	5.198	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCN4c5ccccc5C[C@@H]4C3)c2)cc1	589243984	WRUQTRNMBUZDFR-JOCHJYFZSA-N	424.504	5.019	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)c1	604182003	PCRNJEMVDYMGDR-UHFFFAOYSA-N	414.852	5.198	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1	609066869	WCOUKBQMWSWWRW-UHFFFAOYSA-N	413.232	5.933	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)c1cc2ccccc2n1CC#N	609162370	HKQVDWUGVXALOA-UHFFFAOYSA-N	415.518	5.078	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1	609297743	BTDYMYJKIVHCMM-SFHVURJKSA-N	413.452	5.119	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccccc2F)o1	609377796	NDDMCVIQZMJUIO-HNNXBMFYSA-N	409.486	5.304	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609422395	QAKRHFPPMVGVJN-SFHVURJKSA-N	412.493	5.578	30	20	HKED	
CCc1nc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1	609556356	AMNZMICRGBZLQZ-INIZCTEOSA-N	420.538	5.347	30	20	HKED	
COc1ccc(Cl)cc1N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609648372	XRXNUKPDZPVICV-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1SCC(F)F	610019783	RXTWZJPPRFHXFF-UHFFFAOYSA-N	407.461	5.499	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccc(C#N)cc2F)n(C2CCCCC2)c1C	610219012	NHUOWCBJUTUHLM-UHFFFAOYSA-N	410.518	5.223	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](C)c1cccc(O)c1	610321302	PEVYNHNHARHIRW-MRXNPFEDSA-N	402.454	5.066	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3cccnc3)CC2)cc1F	611262050	PIJAIHYYANGNIC-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2oc3ccccc3c2CSc2ccccc2F)C1	612234017	YJOADWFWQOTRJB-HSZRJFAPSA-N	408.498	5.630	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)c1	613319803	PJLNEFRGBPIVJI-IBGZPJMESA-N	418.909	5.448	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccccc1	662024516	KMXQXVDMGNLOAD-IBGZPJMESA-N	420.582	5.049	30	20	HKED	
C=C(CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	672480451	OUCUCMKLGFLVRT-UHFFFAOYSA-N	402.441	5.201	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccco1	676222051	QREFWIZVOXWTSR-UHFFFAOYSA-N	416.934	5.115	30	20	HKED	
C=CCC[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	676423474	WMENUNFGKPZCPV-OAGGEKHMSA-N	408.386	5.466	30	20	HKED	
CCSc1cccc(F)c1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	685700681	QSZXVGXIVBTKRY-DTORHVGOSA-N	404.351	5.142	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccc(-c3ccccc3F)s2)C(C)C)c1	726477700	YTDXUHCSEOFQAP-UHFFFAOYSA-N	408.567	6.143	30	20	HKED	
C[C@@H](OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc(C#N)c1	727635582	LMILKPRWLGFIDR-QGZVFWFLSA-N	424.456	5.404	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1c(C)n[nH]c1C	727780443	NPIQXSYHJYWAFF-CMDGGOBGSA-N	402.317	5.117	30	20	HKED	
N#Cc1c(NC(=O)c2sc(N3CCCC3)nc2Cl)sc2c1CCCCCC2	728165482	ZAFMLCGCFQBMGT-UHFFFAOYSA-N	420.991	5.241	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCOc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	728411091	DJYIITCJWUFXTN-KGLIPLIRSA-N	402.397	5.058	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2c3ccccc3n(C)c2s1	730993608	CFQRVRAZIVBZKE-AWEZNQCLSA-N	405.548	5.897	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1	731288378	RMMFHCFENSWQDP-IPMKNSEASA-N	402.906	6.083	30	20	HKED	
C[C@@H](CNCc1ccc(N(C)CCC#N)cc1)Sc1ccc(Br)cc1	731678537	HKCFJZWAWYIXHB-INIZCTEOSA-N	418.404	5.069	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCc1ccccc1F	731752701	MAJSDSORRXQICN-UHFFFAOYSA-N	403.457	5.505	30	20	HKED	
N#Cc1ccc(CC(=O)O[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1	731994161	LRBOSJXWINAUQG-MRXNPFEDSA-N	412.205	5.100	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC[C@H]1c1ccc(F)c(F)c1	733033219	KYKHGIBLLONPHM-INIZCTEOSA-N	420.328	5.988	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1OC	733231623	DLVUMDKXORRXEK-SFHVURJKSA-N	424.497	5.174	30	20	HKED	
N#CCOc1ccc(COC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1	733470906	MRAGKHCVBWPTNG-QFIPXVFZSA-N	407.853	5.106	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccc(C)cc3C)nc2C)c1	733770388	HUCBHHAERLCXKC-IBGZPJMESA-N	419.550	5.346	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)NCc3cccc(O[C@@H](C#N)CC)c3)oc12	733800190	UWTBGXNTULYDRI-VQIMIIECSA-N	421.497	5.073	30	20	HKED	
N#CCn1c(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc2ccccc21	733947887	NFECDJIULRLKPO-GOSISDBHSA-N	406.791	5.149	30	20	HKED	
O=C(/C=C/c1nccn1Cc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	734095526	PKCJTOPBEVLGMG-JLHYYAGUSA-N	415.474	5.464	30	20	HKED	
CCCN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	735913129	CWWDIOHZGNXTMD-HXUWFJFHSA-N	405.523	5.155	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)CCC(=O)c3ccc(Cl)cc3)c2)s1	739751562	PAHGRHTVNHIRLV-UHFFFAOYSA-N	408.910	5.219	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2o1)c1ccncc1	740481388	WARVJRWTOPOMPF-QHCPKHFHSA-N	415.493	5.758	30	20	HKED	
CC(=O)Nc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	743035330	GPWWFWLJYHFNSK-UHFFFAOYSA-N	420.469	5.257	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccco1	743294497	LIEZRSAXNAPASO-XZOQPEGZSA-N	416.525	5.140	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@]12CCc1ccccc12	744028011	CTGCTPJLXJOTEX-ZIHSNCGMSA-N	422.484	5.030	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@@H](C)c2nc(-c3ccccc3C)no2)cc1OC	744445545	QLXVJVGXWJYUAY-AWEZNQCLSA-N	415.877	5.217	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)c(F)c2)cc1	744972661	DLQYCPVHCBHLMD-UHFFFAOYSA-N	413.408	5.080	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)c1cccc(Cl)c1	745304924	GWLTYAKSJCBJBK-LSDHHAIUSA-N	416.930	5.020	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNc1oc(C(C)C)nc1C#N	745612170	SRORBLMMAZRLEF-UHFFFAOYSA-N	410.481	5.277	30	20	HKED	
C=CCc1cc(/C=C(\Cl)c2nc(O)c3cc(Cl)ccc3n2)cc(OC)c1O	747064456	WLDBDVYLVPYBPC-NVNXTCNLSA-N	403.265	5.168	30	20	HKED	
C=CCN(C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)C(C)C	748174699	UNKCXXSXYZXTKZ-UHFFFAOYSA-N	411.855	5.070	30	20	HKED	
C=CCC[C@@H](NC(=S)Nc1ccc(NC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	749745555	OMHPTCBXDNXKLP-LJQANCHMSA-N	421.488	5.658	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)s1	750690262	ORPSTFIVFNRMQC-WCBMZHEXSA-N	414.861	6.010	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(Br)c(F)cc2Cl)cc1Cl	751449679	JQDNLIMZGRETKB-UHFFFAOYSA-N	419.106	5.576	30	20	HKED	
Cc1nc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)sc1-c1ccccc1	751995561	NCPXKGNZSFSDPX-WOJBJXKFSA-N	402.523	5.422	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(CCC(F)(F)F)cc1	752476714	AXSUTLLFUNZUFI-LJQANCHMSA-N	410.395	5.296	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](CC)c1ccc(OC)cc1	752478127	YQKWTBZSQFTXPY-UGKGYDQZSA-N	406.526	5.051	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(OC)cc1	752482814	JSHGYNZIHVVTBV-KKSFZXQISA-N	420.534	5.587	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1	757878486	DCQGSTZBMDEEFZ-NRFANRHFSA-N	405.885	5.200	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C)c1ccncc1	759579051	ANNLFHZJRMDOCI-PXNSSMCTSA-N	406.555	5.533	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	760205082	RYZRHRVBBYNPCZ-IAQYHMDHSA-N	400.862	5.174	30	20	HKED	
C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761193371	UMDFXVGEFCOJQH-QMMMGPOBSA-N	424.190	5.111	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccc(Br)cc2C1	765180141	IZVCVEPYBFICOM-ZDUSSCGKSA-N	416.344	5.391	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3ccc(OC)cc3nc2C)cc1	770105392	APDXFCFSEPIBDM-IVZQSRNASA-N	415.493	5.027	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1	772645518	ODGZAPBWBKCPOE-QFIPXVFZSA-N	424.529	5.088	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F	780680704	HIILHYAEGNUYIA-GOSISDBHSA-N	403.457	5.351	30	20	HKED	
Cc1nc(CC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(C)s1	786319167	PADHMPGCLCKADC-GOWZHPGHSA-N	411.596	5.103	30	20	HKED	
Cc1nc(F)ccc1CN1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	787273758	GLAHNIWAFUONDR-MRXNPFEDSA-N	422.344	5.140	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3ncc(C(C)(C)C)s3)cc2c1C	790603020	IKBFUVLETCNZDJ-SREVYHEPSA-N	400.525	5.041	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C(F)(F)Cc2ccccc2)cc1	793130868	OCKVWQKHVJZQFZ-UHFFFAOYSA-N	406.432	5.148	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	794127355	TUQBWINQRZGKDO-UHFFFAOYSA-N	419.453	5.697	30	20	HKED	
FC(F)Oc1ccc([C@@H](NC(=S)NCCCCC(F)(F)F)C(F)(F)F)cc1	794990827	YIZXMDFNUDYCAI-LLVKDONJSA-N	424.357	5.088	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	801894765	BATXBUFRGOCBFH-INIZCTEOSA-N	401.743	5.015	30	20	HKED	
CC(C)(CCc1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1)[N+](=O)[O-]	812811620	DIVRVPICBZHVGA-UHFFFAOYSA-N	412.833	5.042	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1NC(=O)OC(C)(C)C	813213794	PTUDFLPDLDCOHZ-HNNXBMFYSA-N	419.403	5.246	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1	813217865	JXEZFWUEHRDXFZ-UMSHPIDHSA-N	422.406	5.526	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1	915353461	NPPCCAMGPGLVJQ-BJKOFHAPSA-N	415.924	6.364	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2s1	916846087	HOEINYRBZOUFKE-DMTLFAOVSA-N	406.816	5.858	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1C(C)(C)C	916945418	AMFRLGKAGOPHJM-HNNXBMFYSA-N	421.328	5.029	30	20	HKED	
N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	916977253	OCZDLVGUKLPASV-LJQANCHMSA-N	419.937	6.144	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3ccccc3OC(F)F)cs2)cc1	920065565	WWWXGFDLWXXISW-WDZFZDKYSA-N	417.433	5.228	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(C)cccc3C2=O)cs1	920066911	NSKBULKZTVNROJ-XNTDXEJSSA-N	424.909	5.448	30	20	HKED	
CC1(C)CCc2cc(C=Nn3cnnc3SCc3ccc(Cl)cc3)ccc2O1	920368787	OSIMVNPXEJAUEB-UHFFFAOYSA-N	412.946	5.210	30	20	HKED	
Cn1cc(C=NNc2ccc(OC(F)(F)F)cc2)c(-c2cc3ccccc3o2)n1	920372179	WLSMIPQREGHQQY-UHFFFAOYSA-N	400.360	5.178	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3OCC)CCC2)cc1	1791248958	HLGWTSCPYMRBMN-GOSISDBHSA-N	406.526	5.045	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2sccc2s1	1798030717	LOAKIPJWLHZTTN-MUJYYYPQSA-N	416.612	5.207	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1	1823911671	BURBHZGILGVTPS-VGSWGCGISA-N	416.993	5.094	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(C)C)cc3)CC2)C1	1830055008	LREPLQSBQVXMFG-XMMPIXPASA-N	408.586	5.010	30	20	HKED	
Cc1ccc(-c2csc3ncnc(N/N=C4\C(O)=Nc5ccc(F)cc54)c23)cc1	7861996	MSTQSIPNGUNAOB-UHFFFAOYSA-N	403.442	5.224	30	20	HKED	
O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc(F)c(F)c1	11126299	WXGHTFAYOBUMRO-UHFFFAOYSA-O	419.476	5.456	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1)=C(/S)Nc1ccc(C(C)C)cc1	11262427	CETYZTWWSUTPKI-UHFFFAOYSA-O	421.561	5.850	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(C(=O)OC)o2)nnc1-c1ccc(Cl)cc1	31843611	RVYGWUFUYIOCBZ-LBPRGKRZSA-N	403.891	5.017	30	20	HKED	
Cc1sc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c(C#N)c1C	32892946	LHQWMVZDBMVFOT-UHFFFAOYSA-N	415.522	5.482	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)n1	48788314	LXNFYUQOQKZGAB-CYBMUJFWSA-N	415.927	5.217	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1/C(O)=N/c1nnc(C(C)C)s1	51119734	OJJLVPYOVUCDAV-UHFFFAOYSA-N	404.492	5.059	30	20	HKED	
CCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)[C@@H](C)c1ccc(C#N)cc1	54340664	HRMFDTMKXNJZMJ-INIZCTEOSA-N	413.481	5.155	30	20	HKED	
COCc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	56623224	CDJYURNUTSBDJV-UHFFFAOYSA-N	401.466	5.127	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	58705843	MSZCGNWFHIXZKX-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
N#Cc1ccccc1OCCSc1nnc(-c2cccs2)n1Cc1ccccc1	60422429	AFIURSGQWONQTE-UHFFFAOYSA-N	418.547	5.098	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1cc(F)ccc1F	63641483	UFWGTSXODOPHGU-OAHLLOKOSA-N	407.420	5.376	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	138866331	CTXHHWMZRMTGGD-GFCCVEGCSA-N	416.289	5.078	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)cs1	195662710	PFZIUYCQDIZPDB-OAHLLOKOSA-N	416.333	5.711	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2cccc(Oc3ccccc3)c2)ccc1OC	237021566	CUXQGKUFGZTKRH-NRFANRHFSA-N	402.494	5.458	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1Cl	303294776	BNPWRXGWVHDCKP-JXFKEZNVSA-N	413.974	5.510	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1	303427215	ZWVYKOBYXUYMQE-HLIPFELVSA-N	423.582	5.258	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(Oc4ccncc4)c3)c2)c1	303618824	MTBZZWWPKUQTLM-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc1	410381401	KSAQNPLIANVMMN-UHFFFAOYSA-N	417.484	5.528	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1-c1ccccc1	428708016	IRMIMJDQLZUFGA-SFHVURJKSA-N	418.566	5.710	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1	429081980	UTZLVNRBMUUWOY-HNAYVOBHSA-N	405.420	5.033	30	20	HKED	
N#CCCC[C@H](NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1	431376208	LWYJSEJHXXNTKK-PMACEKPBSA-N	403.448	5.142	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2Cl)cc1	431399101	ZCZUGPLWPCEGQE-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1OCC(F)(F)F	435206301	LVHAUEMJVBTXLJ-WMZOPIPTSA-N	421.394	5.070	30	20	HKED	
N#Cc1ccc(CNc2ccccc2NC(=O)Cc2cccs2)c(OC(F)F)c1	439557646	NOVDCQLCVQPIHQ-UHFFFAOYSA-N	413.449	5.014	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC(Nc2cccc(Br)c2)CC1)c1ccccc1	447697736	YXDPOPUCJJONBA-KRWDZBQOSA-N	413.359	5.212	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cncc(C(F)(F)F)c1	460870696	WJHWTICYPLXDSF-UHFFFAOYSA-N	420.460	5.058	30	20	HKED	
CC[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1cccs1	461487777	GGCNWPGYQXJCTG-KRWDZBQOSA-N	403.555	5.067	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	463095674	FIQJKSIHDOEKFY-IFMALSPDSA-N	414.530	5.360	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1c(F)cc(C(F)(F)F)cc1F	464277224	UTSUIRLRKBRYMW-ZDUSSCGKSA-N	415.255	5.546	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1	464726235	RBQSBQJIRWRNFW-HNNXBMFYSA-N	416.378	5.056	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	464919446	NJSKLCIEMSBGAK-UHFFFAOYSA-N	413.477	5.568	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(-n2cccn2)cc1	464994634	VMPLLXCXHDPUDI-SFHVURJKSA-N	408.461	5.027	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(F)cc3C(F)(F)F)ccc21	468914477	LDJMVTQIHXYGBG-UHFFFAOYSA-N	405.395	5.040	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(C(F)F)c2)c2ccc3nc(O)[nH]c3c2)cc1	470778615	GNOYRQJQISMICN-UHFFFAOYSA-N	404.420	5.285	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCc1cccc(C(F)(F)F)c1	471828406	VHRRMWGFESQAPH-OAHLLOKOSA-N	406.473	5.919	30	20	HKED	
CN(c1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CCCC1	475025699	IWVXGXBKNRHBHM-GMAHTHKFSA-N	402.542	5.369	30	20	HKED	
CC(C)c1c(NC(=O)C[C@H](CC#N)c2ccccc2)cnn1-c1ccccc1Cl	477019697	NGQVLTLFTFOOSN-SFHVURJKSA-N	406.917	5.675	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1-c1ncco1	481850558	YTPRLRXBHSWACE-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
CCN(C(=O)c1ccc(C#N)s1)[C@@H]1CCSc2ccc(Br)cc21	487323855	MXGDFEBKITZMTG-CQSZACIVSA-N	407.358	5.081	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1cccc(OC)c1	488911204	DZEYQKFKKDJLEK-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1C(=O)N(C)C(C)C	489092202	QKJTVWXHFJFTFJ-UHFFFAOYSA-N	420.557	5.037	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1-c1ccccc1	489720561	MCSLVPARFKOGBA-UHFFFAOYSA-N	413.506	5.378	30	20	HKED	
CC[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Cl)s1	497482919	LNYSSZFOCDNFJC-MRXNPFEDSA-N	421.925	5.116	30	20	HKED	
N#Cc1c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)sc2c1-c1ccccc1CC2	499630234	FNDDZFVGOOUZEV-LJQANCHMSA-N	414.530	5.532	30	20	HKED	
COc1ccccc1-n1ncc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1C	503904309	VSWJUAPOHHEWDA-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
C=C(C)[C@@H](Cc1nc([C@@H](Oc2ccc(Br)cc2)C(C)C)no1)OCC	508643156	DOPUAOKMYOXDTM-AEFFLSMTSA-N	409.324	5.132	30	20	HKED	
N#Cc1ccc(OC2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)c(F)c1	512851108	MPARCNUZUKYOES-UHFFFAOYSA-N	411.864	5.049	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)c1	513526263	NTGKBDIJZHONOY-IGKIAQTJSA-N	412.533	5.395	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1ccc(SCc2csc(C)n2)cc1	518392507	LVKDPUNJKIFZDI-UHFFFAOYSA-N	410.564	5.239	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	520196069	WSPVHWALPZUOSM-AVRDEDQJSA-N	423.582	6.239	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cc1	521006782	XQTYHCLEEPMZDR-UHFFFAOYSA-N	401.466	5.920	30	20	HKED	
CC(C)COc1ccc(C2(C(=O)Nc3ccccc3SC[C@H](C)C#N)CCC2)cc1	521858069	VASJXGVDEOOWEV-LJQANCHMSA-N	422.594	6.034	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cc2ccccc2s1	527194296	UKZPXSYJSZRCIT-HOTGVXAUSA-N	409.580	5.442	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1	533510681	ZTQCZIWJWRPCOS-CYFREDJKSA-N	414.509	5.066	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccccc1	533886891	CHBSSKUQPMZZTF-KRWDZBQOSA-N	404.489	5.109	30	20	HKED	
CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cnn1CC(C)C	535166540	NRHIZFLMJBSENJ-UHFFFAOYSA-N	416.525	5.113	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	536441965	LKSAWOGDMUPKIP-HKUYNNGSSA-N	408.910	5.457	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c1	537927786	SMQKOAOSPXTZNI-UHFFFAOYSA-N	411.552	5.335	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc2ccccc12	538140688	AAZQCJZVRDCMCO-MSOLQXFVSA-N	403.551	5.523	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1ccc(C(F)(F)F)cc1	539316007	BGBOSGMTCSOTFI-MOPGFXCFSA-N	420.479	5.599	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)n1	543045342	ACUIGGGRLIXFNU-GOSISDBHSA-N	408.910	5.641	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nc(Cc2ccccc2)cs1	544272013	HBBJDOAKUQNIBU-SFTDATJTSA-N	402.523	5.038	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CC=C(c2cccc(Br)c2)CC1)c1ccccc1	546575350	ZSWSQEWKEDTXCS-OAQYLSRUSA-N	424.342	5.293	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1	554102973	AQLSPWMRBXEYNS-UHFFFAOYSA-N	424.472	5.100	30	20	HKED	
Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N)N(C)C	554208423	KWUSYEQNRFUNRH-FGSXEWAUSA-N	410.587	5.202	30	20	HKED	
Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N)N(C)C	554208424	KWUSYEQNRFUNRH-HMFYCAOWSA-N	410.587	5.202	30	20	HKED	
N#Cc1ccc(CN[C@@H]2CSc3ccc(Br)cc32)c(C(F)(F)F)c1	581064112	APSYXBHQBPCGGJ-OAHLLOKOSA-N	413.262	5.276	30	20	HKED	
COc1cc([C@H](C)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)cn1	584798166	FUKQMYGBBRGOPC-BONVTDFDSA-N	410.333	5.592	30	20	HKED	
Fc1ccccc1-c1nc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cs1	590599508	ZTLRQVBPWUXTNL-GHMZBOCLSA-N	412.374	5.512	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)c2ccccc2)CC1	596385080	AOIPFDBRRVFZAQ-KRWDZBQOSA-N	407.539	5.208	30	20	HKED	
COc1ccc(SCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	603532778	SDHANJGPGVBAGU-UHFFFAOYSA-N	420.509	5.340	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690636	QTAOPUSMBPEPNF-MRXNPFEDSA-N	412.449	5.717	30	20	HKED	
CCN(C(=O)[C@@H](C)Sc1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1	603956093	BOMRNYKRCYBNTO-LSDHHAIUSA-N	417.372	5.411	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(C)c1	604086874	OJZBFYWQDRICEN-SFHVURJKSA-N	400.482	5.587	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccccc2s1	609055020	SZZMQUSUIFGINL-UHFFFAOYSA-N	403.463	5.007	30	20	HKED	
Cc1ccccc1NCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609110097	FFWHRFUGMSVASZ-UHFFFAOYSA-N	403.457	5.026	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	609377634	IWZARJJFSJOGGA-XOKHGSTOSA-N	404.457	5.699	30	20	HKED	
CCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	609378918	IWUHIOAJJPLUIP-UHFFFAOYSA-N	414.474	5.074	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1	609430975	GZRKFUKJCHSXRP-GOSISDBHSA-N	402.519	5.912	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1	609434904	ZLNIABKUSYXCTN-NQIIRXRSSA-N	408.571	5.039	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	611142475	WACVWYZDHXCAOA-JXFKEZNVSA-N	403.309	5.071	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)s2)cc1F	611477412	HNWXWIFHAZTFDL-UHFFFAOYSA-N	420.296	5.612	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1	611548483	YKDBTXBJUNIVHX-YJBOKZPZSA-N	402.416	5.462	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(Cl)c1	614661755	ZGRRYOWJIIQRSL-UHFFFAOYSA-N	408.244	5.781	30	20	HKED	
N#Cc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)cc1Cl	619748796	VNKGTAPCMVCBKO-UHFFFAOYSA-N	418.953	5.475	30	20	HKED	
CC1=C(c2ccco2)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1	619786640	ZHXUGIGUBAKOEY-UHFFFAOYSA-N	400.438	5.050	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1Cl	726626600	ILOXTWRDQNYEHK-VIZOYTHASA-N	424.856	5.636	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F	726858528	OHNZBHFQBSGLFB-FXAWDEMLSA-N	416.452	5.459	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NOCc3ccccc3)cc2Cl)c1	728121242	CTTBQMZUNSFTOL-UHFFFAOYSA-N	407.857	5.044	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C/c2cc(C(=O)O)c3ccc(Br)cc3n2)cc1	728698832	PLIDATYACRZGRL-NHEDYWLLSA-N	423.266	5.157	30	20	HKED	
N#C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl	731196034	UUIIFGXBAAAJGN-CYBMUJFWSA-N	404.080	5.060	30	20	HKED	
C=CC[C@H](NC(=O)NC[C@@H](CC)Cc1cccc(Br)c1)c1ccncc1	737048057	RRTFXVKYLQKHPF-JXFKEZNVSA-N	416.363	5.029	30	20	HKED	
CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740060674	WVXHFSWVPCOBDS-UHFFFAOYSA-N	401.944	5.343	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3nc(C)cs3)c2)cc1	740535933	QDZMDHXKJYQPFD-NRFANRHFSA-N	417.534	5.422	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)cc2SC)cc1Br	741165981	ULROEQXTVRZAJR-ALCCZGGFSA-N	423.328	5.093	30	20	HKED	
CC(C)NC(=O)[C@H](C#N)C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	744033699	VJDRYTXPSHKTSG-GOSISDBHSA-N	421.349	5.133	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	744035795	RQULTRBGFPKFAP-OCOPJHETSA-N	420.843	6.248	30	20	HKED	
COc1cc(Br)c(CON=Cc2ccccc2C(F)(F)F)cc1OC	745581885	XUTXYFIIENEURF-UHFFFAOYSA-N	418.209	5.036	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Oc2ccccc2Oc2ccccn2)o1	748676980	HFLKDEWCRFRJIM-UHFFFAOYSA-N	412.401	5.137	30	20	HKED	
O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(C(F)(F)F)cn1	750200184	AKSNCUJAZZKRBC-LBPRGKRZSA-N	417.227	5.580	30	20	HKED	
C#CC[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	757615275	VLMGUUWQOBXZPP-IBGZPJMESA-N	414.452	5.252	30	20	HKED	
C=C[C@@H](CC(=O)O[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1ccccc1	758915447	ZOIFHTPVIHBZLU-ROUUACIJSA-N	412.555	5.100	30	20	HKED	
Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1	759193081	LDMWFLBNRUNSMV-INIZCTEOSA-N	422.937	6.343	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(Cl)c2cccnc12)CCCCC3	760227018	PVYCEJYNRHKRPD-UHFFFAOYSA-N	422.941	5.119	30	20	HKED	
CCCOc1ccc(/C=C/C(=O)c2cc(Br)ncc2F)cc1OCC	762421622	KASIOTAUONZZOF-FNORWQNLSA-N	408.267	5.067	30	20	HKED	
Cc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)ccc1C#N	766492397	VBGUOFUGDJXIGK-CXUHLZMHSA-N	415.305	5.361	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1	767190356	LIWIRNFCABRQSH-NRFANRHFSA-N	416.594	5.055	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc(N4CCSCC4)cc3)c2)c1	770575568	JGRBHZUXABRJGW-UHFFFAOYSA-N	415.562	5.303	30	20	HKED	
C#CCCCCC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	773314855	QWTDQYWUOVHNNF-CYBMUJFWSA-N	405.361	5.252	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)c1	775410876	UDUUDNJFFIKJGA-YKSBVNFPSA-N	421.585	5.213	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1ccc(F)nc1	777467583	NRQADNIZNIXQBS-VURMDHGXSA-N	403.276	5.311	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(C#N)cc3F)cc2)c(F)c1	781111557	PPLFTEJINLKSLF-MKICQXMISA-N	424.406	5.500	30	20	HKED	
CCCc1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cnn1-c1cccc(F)c1	783785802	IQXOYJAEPYQGOG-UHFFFAOYSA-N	413.909	5.298	30	20	HKED	
C#CCCOc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	790622123	IXFSHOQFPIHFTN-QHCPKHFHSA-N	417.471	5.365	30	20	HKED	
C[C@@](NC(=O)c1cc(C(F)(F)F)cnc1Cl)(c1ccc(F)cc1)C(F)(F)F	790975352	PUIZUWLVXHERBR-CQSZACIVSA-N	414.708	5.100	30	20	HKED	
CC(C)[C@@](C)(NCc1ccc(O[C@H](C)C#N)cc1)c1ccc(Br)cc1	790994724	CPVKYAJXWOFBEK-IIBYNOLFSA-N	401.348	5.401	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nccc2ccccc12	792099662	IKBLOQKWXRRZMN-LIRRHRJNSA-N	417.921	5.793	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1cnc2ccccc2n1	792101588	SIZUBTJUIQYWKL-QGZVFWFLSA-N	409.411	5.337	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CO[C@@H]3CCCc4ccccc43)n2)cc1	797549423	JHUVLZVVRJZQBS-NFBKMPQASA-N	402.519	5.389	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC([C@@H](O)c2ccccc2C)CC1)c1ccc(F)c(F)c1	805303442	XAZFUPVGXIVZFD-XZOQPEGZSA-N	414.496	5.046	30	20	HKED	
CC(=NOCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cc2ccccc2o1	852747254	AZXFORVXTUOEBH-UHFFFAOYSA-N	410.779	5.484	30	20	HKED	
C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1	857313974	MLCVTFRWRZNWGG-IBGZPJMESA-N	417.484	5.152	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1	915359365	QRUMIIPFDGXAFH-JWQCQUIFSA-N	410.521	5.886	30	20	HKED	
COc1ccc2cc(-c3cc(C(=O)N(C)C[C@@H](C)C#N)c4ccccc4n3)ccc2c1	917139154	KMCYULTZEJOEDZ-KRWDZBQOSA-N	409.489	5.295	30	20	HKED	
CCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)s1	917560404	XGEWTUYUIXOJNW-POHAHGRESA-N	400.500	5.487	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1Cl)C1CCCCC1	917755358	WOMYCKXEBNPXHP-SDNWHVSQSA-N	421.928	5.268	30	20	HKED	
CCCCS[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	918489377	KUSZGAOWOOALEZ-FZMZJTMJSA-N	413.395	6.215	30	20	HKED	
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccccc2OCC#N)cc1	919981954	FNJFSJRROCHNJE-UHFFFAOYSA-N	422.868	5.686	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1	920138182	BHYOWSKNIDXURQ-HXUWFJFHSA-N	420.534	5.371	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncsc45)CCC3)cc2)C1	1785807405	AQVKHKCWGKJNHS-UHFFFAOYSA-N	417.534	5.010	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2)CC1	1829068639	IVCJRBXZNFVMGX-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1Cl	16260938	KZSAKGJHEBLCCJ-UHFFFAOYSA-N	418.305	5.082	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(C)c1	16862919	PVESDZLNUNWEOP-SFHVURJKSA-N	420.582	5.682	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	56764772	GAKZAODEXKFJGZ-UHFFFAOYSA-N	409.873	5.405	30	20	HKED	
C=CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccccc1	58642415	FBQHWIYTBPPGFG-UHFFFAOYSA-N	402.523	5.574	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cnn1-c1ccc(F)cc1	66037389	GCXPYXUQDMAOQH-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1c(F)cccc1F	71960034	IVLCMSBDBZWCPM-CYBMUJFWSA-N	405.445	5.314	30	20	HKED	
C[C@@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	303035766	RTGQATORBNPPHI-AWEZNQCLSA-N	413.361	5.386	30	20	HKED	
C[C@@H](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1	303677087	QSKYREKLLIXDTC-MHECFPHRSA-N	402.469	5.279	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cccc(CCC(F)(F)F)c2)c1-c1ccccc1	428503677	PJKNILYMMUPGFL-UHFFFAOYSA-N	412.415	5.211	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1	429390124	XZNCQEUDTNUIOR-OAQYLSRUSA-N	404.495	5.485	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)c2cccc(SCC#N)c2)C(C)C)cc1OCC	429926865	NCSGKBKWMXNERK-QFIPXVFZSA-N	412.555	5.227	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	430655549	RSPLSXKHIFNFIG-UHFFFAOYSA-N	424.500	5.191	30	20	HKED	
C[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1OCCc2sccc21	431999592	QMNBJXWEGVIAGF-HJPURHCSSA-N	418.518	5.087	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F	432474237	BEZHQUMDAJLKEZ-FQEVSTJZSA-N	403.448	5.216	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1cccnc1Oc1cccc(Br)c1	432840661	QXENENVKTUBMOZ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COc1ccc(-c2nc(CN[C@H](CCCC#N)c3ccccc3)cs2)cc1OC	433012270	SEMSCNJXHZZOSB-HXUWFJFHSA-N	407.539	5.352	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SCC#N)[C@H](C)c1cccc(C(F)(F)F)c1	434842127	OMTBCUHBIIZTJU-OAHLLOKOSA-N	421.488	5.343	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)nc2ccccc21	437555668	JKFPBPPBEGXODK-SFHVURJKSA-N	410.408	5.011	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@@]34CCc3ccccc34)c2)cc1	439027592	JCUACRFVHGLPOS-XNMGPUDCSA-N	408.501	5.174	30	20	HKED	
CCn1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1-c1cccc(Cl)c1	443429528	KXQGPKYWKLQOLK-UHFFFAOYSA-N	409.824	5.055	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C1CC1)[C@@H](C)c1ccco1	444398878	RUSHEKOPVBJNCX-SFHVURJKSA-N	415.493	5.796	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(F)c(O)c(F)c1	444441912	VGGDBXBPCJZZLY-CYBMUJFWSA-N	413.264	5.113	30	20	HKED	
C[C@H](C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1cccc(C#N)c1	463577017	LADCYTPRYBZOKY-INIZCTEOSA-N	417.896	5.230	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OCCC	464397219	HQDXUVNGOSGVDF-MRXNPFEDSA-N	406.404	5.168	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(=Cc2ccccc2F)CC1	464900658	WDNCHTLKDIEVON-SFHVURJKSA-N	423.557	5.195	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CCC[C@@]12CCCCO2	468646350	CUMHSUXYZQCPMP-GGAORHGYSA-N	410.901	5.200	30	20	HKED	
Cc1sc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)nc1-c1cccc2ccccc12	471157520	SDTFMLZDXSEGSL-HXUWFJFHSA-N	422.513	5.464	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1	474432956	LTGOYFDVZMTOOO-KRWDZBQOSA-N	407.451	5.457	30	20	HKED	
CC(C)CN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCCc2cccnc21	480569807	XLERICOIAOHTTP-GHTZIAJQSA-N	422.598	6.043	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1ccccc1C	481342207	OEJCELGCOZZJIT-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
CCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481568632	KSKGPCXSIMEAJS-UHFFFAOYSA-N	403.457	5.330	30	20	HKED	
C=C(C)[C@H](NCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccc(F)c(F)c1	481602268	SQFMMJALZBITQQ-SFHVURJKSA-N	410.251	5.729	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1ccccc1Br	482506608	IXYGSFXUNOOEKI-PZJWPPBQSA-N	411.343	5.070	30	20	HKED	
CC(C)c1c(NC(=O)CSCc2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1	482746789	ZBULMTVRPCOHDE-UHFFFAOYSA-N	424.957	5.393	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	488266841	QJJUFOJJZOMLQT-IBGZPJMESA-N	417.431	5.530	30	20	HKED	
Cc1sc2nc([C@@H](C)Sc3ccc(C#N)c(C(F)(F)F)c3)nc(O)c2c1C	499492066	QVMMZHCSEKFZKV-SNVBAGLBSA-N	409.458	5.758	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(c2ccc(F)cc2)CC1	500070904	SLESALHKPINFAF-UHFFFAOYSA-N	402.494	5.310	30	20	HKED	
C[C@H](Nc1c(F)cc(C#N)cc1F)c1cccc(NC(=O)Cc2ccccc2F)c1	500544591	MOIZPMMPHKNTHP-AWEZNQCLSA-N	409.411	5.330	30	20	HKED	
CCC[C@@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	503152506	ODSDLFVZWKXKEP-DZGCQCFKSA-N	400.466	5.245	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC2)cc1	503955281	FMZBLMSPXUMRCZ-UHFFFAOYSA-N	417.896	5.115	30	20	HKED	
N#Cc1cccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	505449839	VIGAQNZJDDMSMG-OAHLLOKOSA-N	413.289	5.234	30	20	HKED	
N#C[C@H](NC(=O)CCc1cc(Br)cs1)c1ccc(Cl)c(Cl)c1	505922784	LPTFWKWMQOSENY-AWEZNQCLSA-N	418.143	5.131	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	506677244	ZIAZFOVYUBMUSO-LBPRGKRZSA-N	410.370	5.403	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509890288	KRWOUANROYZDQK-UHFFFAOYSA-N	421.447	5.274	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2cccc(Cl)c2)cc1	511009466	GRXFISBEIFBCCY-UHFFFAOYSA-N	411.933	5.208	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nnc(C)c(C)c1C#N	511849110	OMWHYPKHTLDJLE-UHFFFAOYSA-N	416.978	5.254	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1	516271101	CYPAPVXMEBEOSP-UHFFFAOYSA-N	409.436	5.050	30	20	HKED	
CC(C)(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1	517461520	KTEKHKBYEDUGSH-UHFFFAOYSA-N	413.490	5.717	30	20	HKED	
N#C[C@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1	517605571	LIYAOEDJWVAMNJ-FQEVSTJZSA-N	411.288	5.491	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(SCc3ccccc3)cc2)n1	518662373	AQYQYNSXDPJGRM-SFHVURJKSA-N	422.531	5.102	30	20	HKED	
C=CCOc1ccc(CN[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1Cl	521830393	ZHLRPUALARTDMI-DEOSSOPVSA-N	417.940	5.671	30	20	HKED	
Cc1cccn2cc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)nc12	524008186	BXSOZQDOPQPVIV-NRFANRHFSA-N	414.896	5.133	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)c1	524305278	DHGBUWZUKVMMQO-UHFFFAOYSA-N	418.541	5.416	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2ccc(C#N)cc2F)cs1	525117637	VPRPSBOLMGIYQC-UHFFFAOYSA-N	417.918	5.784	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	525520011	GMKJBMODHYQRHJ-UHFFFAOYSA-N	423.582	5.259	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	532204961	GRGRDRSYNIXJAZ-QJMPUOCTSA-N	418.512	5.693	30	20	HKED	
N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1	536192920	SHVNAMHZMSNRHJ-UHFFFAOYSA-N	415.543	5.832	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C(F)(F)F)cc1	536839308	OVILOAMHOFRSOA-HRAATJIYSA-N	400.448	5.644	30	20	HKED	
CC1(C)CC[C@H]2C[C@@H](NC(=O)CCCC(=O)Nc3ccccc3C#N)c3cccc1c32	539578487	HUHZKTOISPMPFX-HTAPYJJXSA-N	415.537	5.083	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2cccc(C[S@](=O)c3ccccc3)c2)CC1	539931801	LZOUUTPMJUQIMS-GRFFYOSDSA-N	414.574	5.810	30	20	HKED	
C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1	540314380	NQAQIZCDOJSUBK-SFHVURJKSA-N	410.521	5.360	30	20	HKED	
C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542947675	GSQOVYWGJAOICL-INIZCTEOSA-N	415.443	6.009	30	20	HKED	
Cc1c(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)sc2ccc(C#N)cc12	550176997	LISHOQBNGWYFRN-SFHVURJKSA-N	414.889	5.088	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@@H]1c1cc[nH]n1	554158694	CFPQUIBJNYIUHH-JOCHJYFZSA-N	401.470	5.141	30	20	HKED	
N#CCc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2	555526877	QQDXHYYOVUKBDD-UHFFFAOYSA-N	404.901	5.113	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	557061715	MPCXVHOMLMPAQE-UHFFFAOYSA-N	401.344	5.011	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1Cl)CC1CC1	562168132	FTGGJTVJDCXSFD-INIZCTEOSA-N	413.974	6.036	30	20	HKED	
CC(C)(C)O[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1	564549966	PZEUXCNIAWGBLP-QFIPXVFZSA-N	401.466	5.240	30	20	HKED	
N#CCCN(C(=O)c1ccnc(-c2ccc(Cl)cc2)n1)C12CC3CC(CC(C3)C1)C2	565385536	NOPRERRVJMWVQE-UHFFFAOYSA-N	420.944	5.122	30	20	HKED	
C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H]1c1cccs1	565509790	XAKSNFLRFVWDIM-GOSISDBHSA-N	403.511	5.189	30	20	HKED	
N#CCCCn1cc(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)c2ccccc21	565570729	KLDOOFPSWDSRHQ-SFHVURJKSA-N	413.443	5.096	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(Cl)c(C#N)c3)c2C2CC2)cc1Cl	603567513	KSQHCHMSFYMMGB-UHFFFAOYSA-N	411.292	5.489	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cn2)cc1	603689971	GRIOUQOZUMEJMJ-OAQYLSRUSA-N	402.429	5.254	30	20	HKED	
CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604499449	BGBXOEMYMAKHID-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccccc2F)CC1	605955375	GYDUYPCJXMMIKR-GDNZZTSVSA-N	412.349	5.024	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc4ncsc4c3)cc2Cl)c1	609062759	GCLKQOFPJXRXLH-UHFFFAOYSA-N	419.893	5.653	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	609207365	SYQKQXCVXNOHAX-UHFFFAOYSA-N	405.420	5.138	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3cccc(COc4ccccc4C#N)c3)ccc21	609764487	YSGAUYZQKGKASN-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
C[C@@H](C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F	610220664	JWNJXKAJXCZHOH-GFCCVEGCSA-N	401.413	5.443	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1OCC	611094169	LGWLDLAGMDUXQN-LBPRGKRZSA-N	407.297	5.153	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1c(-c2c(F)cccc2Cl)noc1C	615081442	HKOIKBRRFRHIQW-UHFFFAOYSA-N	414.864	5.280	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	622566826	YYVAGJJQQMNBKB-MGPLVRAMSA-N	407.329	5.285	30	20	HKED	
C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccccc1Br	642718327	HWMWQYDEGGVCRK-LJQANCHMSA-N	424.346	5.020	30	20	HKED	
CCOc1ccccc1[C@H](CC)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726074594	RYFIZDYXDBVWJA-RPWUZVMVSA-N	413.521	6.014	30	20	HKED	
CCn1c([C@@H]2CCCN2C(=S)Nc2ccc(C#N)c(Cl)c2)nc2ccccc21	726489560	PHVJQGDPOVCEID-IBGZPJMESA-N	409.946	5.115	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cccc(O[C@@H](C)C(=O)O)c1	727267839	STFPECUEUISEDO-MUAYPFOZSA-N	411.454	5.006	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1cc2cnn(C(C)C)c2nc1Cl	727781750	WGLKTJPEUXWRBM-KTKRTIGZSA-N	422.941	5.994	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1	728755694	WJNZJJXUMRVWRG-FTJBHMTQSA-N	418.500	5.648	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(C)C)s1	729035801	ICHVWWUJCJAKCB-HSZRJFAPSA-N	403.551	6.155	30	20	HKED	
COCCOc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1	730464280	MXIVTBKAJBQKOV-FXBPSFAMSA-N	415.514	5.745	30	20	HKED	
O=C(c1sccc1SC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	730484468	SDUVOPNHBHFKAN-KNVOCYPGSA-N	413.355	5.266	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)c2ccccc21	730872638	BLBUBDVYEMEFTO-XZOQPEGZSA-N	422.484	5.238	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(SC(C)(C)C)cc2C)cc1	733631917	NLUKXQFZARTHOF-UHFFFAOYSA-N	412.559	5.837	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)c1	733800803	GGHSQIVOQKLIBG-KBXCAEBGSA-N	420.340	5.105	30	20	HKED	
COc1ccc2c(C)cc3nnc(SCc4cc(Cl)ccc4OCC#N)n3c2c1	735231340	RZOLCEIRFHRNGQ-UHFFFAOYSA-N	424.913	5.048	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)Sc3cc(Cl)ccc3Cl)[nH]c12	735789810	QYVYKOWKNOSCON-DGCLKSJQSA-N	404.322	5.535	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccncc1	742076891	QBXRVUOJBDHJGN-OAHLLOKOSA-N	415.280	5.018	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1nc(-c2ccsc2)oc1C	748100720	ZZOJPNVWRXGZRC-UHFFFAOYSA-N	406.511	5.124	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(C#N)s4)nc(O)c23)cc1	748997770	HFXMUNRBKVIDSD-LZYBPNLTSA-N	409.923	6.042	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)s1	750689292	ZVDPIOFQVVEFPP-ZWNOBZJWSA-N	407.347	6.158	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(CCC(F)(F)F)CC2CC2)c1=S	753108963	NLWZSJSRBAQDFY-UHFFFAOYSA-N	414.472	5.028	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(SCc2ccccc2)cn1	754181478	GUINRDCBSBJLCR-UHFFFAOYSA-N	414.490	5.190	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc(-c2ccccc2)cs1	759216818	GMXIZZURGYNLLT-GNISGLHKSA-N	415.905	5.901	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](O)c2ccccc2Cl)cc1Cl	764836281	BRLMYGMNUVUJLR-WIYYLYMNSA-N	411.288	5.321	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	765331187	PGKGZJFTJWEPRZ-OALUTQOASA-N	400.950	5.066	30	20	HKED	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NCc1ccc(O[C@@H](C)C#N)cc1	770525338	UNPFYRGMRBYWHN-NSHGMRRFSA-N	405.542	5.016	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(NC2CC2)nc1C	771017095	UVWZXTUKELINDT-UHFFFAOYSA-N	418.522	5.037	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](OC(=O)c3cn(CCCC#N)c4ccccc34)CCO2)cc1	774156507	KRJPFDPLGKUHTL-GBXCKJPGSA-N	402.494	5.331	30	20	HKED	
C[C@@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	775077276	USOAIAHBVYJTEI-JMEBYUIHSA-N	423.683	5.102	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCOc3c(F)cccc32)cc1	778255090	AQVYHSBSALIRPH-GGAORHGYSA-N	415.468	5.517	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	779608483	BJKNVHNBAUFVSL-UHFFFAOYSA-N	411.364	5.180	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)cc1	780485074	HYASMOSTCXSOHK-QLJYFHDSSA-N	407.517	6.052	30	20	HKED	
CCOC(=O)c1cc2cc(NC(=O)Nc3ccccc3O[C@H](C)C#N)ccc2s1	780490532	WUTHKJHFJNYYND-CYBMUJFWSA-N	409.467	5.013	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccccc1O[C@@H](C)C#N	780671629	WPNOFIKBPNDFBB-SFHVURJKSA-N	400.482	5.093	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl	787051910	VRMDVGRAIDZPRK-PRXAMGSTSA-N	423.727	5.337	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1	787054374	UTNQRSYSTSSVMW-PXAZEXFGSA-N	421.349	5.224	30	20	HKED	
O=C1/C(=C\c2ncc(C(F)(F)F)s2)CCc2nc(-c3ccccc3F)sc21	788354867	JGJKOCGMYHNCRZ-CLFYSBASSA-N	410.417	5.637	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1	801660961	LPCSHPNFAXNQRZ-MRXNPFEDSA-N	418.312	5.179	30	20	HKED	
Fc1nc(F)c(F)c(N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1F	804712652	KOMLHFZFTXKJGZ-CQSZACIVSA-N	408.317	5.237	30	20	HKED	
Cc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(Cl)n1	808259848	GPCVLGCEAYVHJF-IBGZPJMESA-N	410.304	5.534	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CON=CC(=O)Nc1ccccc1Cl	809918246	RTTWAUPOYTYAQQ-UHFFFAOYSA-N	415.921	5.166	30	20	HKED	
CC(/C=C\C(=O)c1c(F)cccc1N1CCOCC1)=C/c1ccccc1OC(F)F	811691158	JYYMEJNSTTXDJR-GJWNNSPJSA-N	417.427	5.106	30	20	HKED	
COC(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	812922746	JBZZILUZZRQJMM-UHFFFAOYSA-N	422.893	5.078	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC(C)(C)[C@H]2c2ccncc2)c1=S	814230579	UEIZUVSZRAESGY-HXUWFJFHSA-N	405.571	5.011	30	20	HKED	
CCc1cccc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)c1	814293686	FKNRVZUNQYAYFE-HMMYKYKNSA-N	407.564	5.005	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](c1ccccc1)c1ncc[nH]1	814577811	SKYUFOBXGOZPMT-ZEQRLZLVSA-N	421.504	5.318	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(OC[C@@H]4CCCO4)CC3)n2)cc1	815910635	CQFYDOIBCIZBNG-NSKBAKJYSA-N	424.566	5.049	30	20	HKED	
CC(=NOCc1coc(-c2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F	836979433	YMJQFMNUUZJVLE-UHFFFAOYSA-N	416.815	5.681	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc([C@H](O)C(F)(F)F)cc3)c2)c1	864043328	IYRUONFPOPZZMB-QFIPXVFZSA-N	412.411	5.345	30	20	HKED	
N#CCCn1ncc(-c2nc(-c3ccc(C(F)(F)F)s3)no2)c1-c1ccccc1	904972023	XOWAKUYTDGNQAE-UHFFFAOYSA-N	415.400	5.261	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2O)cc1	915862067	IRXKZVAOIHNAEP-HSZRJFAPSA-N	405.457	5.362	30	20	HKED	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Br	916140213	GIDUQZQRXOXIMV-FPYGCLRLSA-N	411.049	5.016	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1	916679470	PDYIMWVFDWQBQE-DQEYMECFSA-N	413.496	5.720	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@H](C#N)c1nc2ccccc2n1C	916844818	DHNNPCQKMZITTL-INIZCTEOSA-N	416.550	5.408	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	916884198	SIAQGOHANWIYHY-WSVPDTOYSA-N	406.841	5.015	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccccc2Cl)cc(Br)c1OC(F)F	917143547	JONKBKOASCQNGN-SREVYHEPSA-N	417.633	5.609	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	920111620	OXNPWEKHXYBLNE-LJQANCHMSA-N	419.308	5.199	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccccc3F)n2)cc1	920140805	BNUSBHIRFRXZKA-INIZCTEOSA-N	412.511	5.316	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(C#N)c(Cl)c1	929084795	MCYBXKZTNICPII-UHFFFAOYSA-N	419.699	5.324	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCCn3cccc3)CCC2)cc1	1786104261	HRGNDFAKHZRMAA-UHFFFAOYSA-N	419.569	5.171	30	20	HKED	
C=C[n+]1ccn(CCCCCC[n+]2ccn([C@H](C)CCCCCCCCCC)c2)c1	1848350041	FHNNRJMYWCJRBK-AREMUKBSSA-N	414.682	6.318	30	20	HKED	
Cc1nc(NC(=O)c2ccc(OCC3CCCCC3)cc2)sc1SCC#N	65072226	IHZDLPPQIHMRKY-UHFFFAOYSA-N	401.557	5.279	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1OC1CCCC1	303418161	XHNAJEMJYMAVOL-KRWDZBQOSA-N	419.308	5.318	30	20	HKED	
CC(C)(c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1)C(F)(F)F	429673818	SMKINZZAVPWVEU-UHFFFAOYSA-N	413.443	5.719	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	429694591	FAVVEJGEMAEIQC-ZDUSSCGKSA-N	404.388	5.690	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl	432093740	FACKBJJRDAVOHC-BLLLJJGKSA-N	424.353	5.100	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	432128681	ZNRHWIQJICKXGM-UHFFFAOYSA-N	423.582	5.584	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)Nc3cccc(OCCCC#N)c3)cc2s1	435179465	YUAWAGLBWIZFGH-UHFFFAOYSA-N	400.891	5.585	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)c3cc(Cl)ccc3C#N)c12	436009521	UZKGWDPHTNWWFM-UHFFFAOYSA-N	423.948	5.420	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1	438853430	DKPGZFNQNDSHFT-IFMALSPDSA-N	404.901	5.169	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1	440238179	HRVJAWLWIPKAOP-YLJYHZDGSA-N	407.905	5.108	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1	440258544	UQUYFSTWSIQARK-IERDGZPVSA-N	415.459	5.985	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(F)c1F	461109836	PHZHKTBQSBJSMJ-UHFFFAOYSA-N	410.351	5.223	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)c1ccccc1	463039260	RWXIMJLSNVMRIM-UHFFFAOYSA-N	413.930	5.062	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1	463616012	YSABAJYYSSWESS-QHCPKHFHSA-N	416.502	5.328	30	20	HKED	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2c1	464462907	QESFFEAWDSNSLW-GOSISDBHSA-N	409.411	5.633	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	468325727	DMKDQWFZZXRSPT-GRYUFTJMSA-N	416.569	5.678	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2c1	469373748	SBQDICGVMVTDST-SANMLTNESA-N	423.516	5.369	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1	476651915	BAGNCDRKIRHKST-KDOFPFPSSA-N	414.349	5.513	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	477598061	KTIPTJORCJSITG-UHFFFAOYSA-N	414.252	5.281	30	20	HKED	
Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1	480831864	WRUHTXVTZZASJS-QFIPXVFZSA-N	417.465	5.166	30	20	HKED	
CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	480880421	VVNXRUYXIXNTPA-UHFFFAOYSA-N	423.444	5.198	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Br)c(F)cc1C	482140023	JREVPKOIDMWAID-UHFFFAOYSA-N	423.330	5.284	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C	482774585	XQCRRFYHMKGHCX-INIZCTEOSA-N	404.539	5.579	30	20	HKED	
COCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CC[C@H](C)C1	484202593	ZFJHGJZCYWXYTA-SIKLNZKXSA-N	421.541	5.001	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccccc1	487177072	OMLZAINMIJUSOW-INIZCTEOSA-N	410.568	5.123	30	20	HKED	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	487268867	ZCQIGCPCXPPYPM-YJYMSZOUSA-N	416.399	5.313	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2C)C2CC2)cc1	490735070	PUWKBTJHXJLYCQ-QHCPKHFHSA-N	403.526	5.082	30	20	HKED	
CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2cnn(C(C)C)c2n1	496723491	PNMWCXNGMJEZPR-UHFFFAOYSA-N	407.543	5.200	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(Br)cc1Br	498277764	UBUFJBAKRVLSIA-UHFFFAOYSA-N	411.093	5.029	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1occc1CSc1ccccc1	500548174	IQVRXAIMRVXYTQ-UHFFFAOYSA-N	404.535	5.742	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32	501565237	GGNGVYKIWTYHSO-VGOFRKELSA-N	408.542	5.160	30	20	HKED	
CSc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	502519736	SNQZLASLFZAFGW-UHFFFAOYSA-N	403.507	5.812	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccc(C(F)(F)F)cc1	503720043	DOZKLXIWWUEGHK-INIZCTEOSA-N	424.536	5.365	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)Nc2nc(C)c(SCC#N)s2)cc1	504737705	OIZZTNPBFPYJKA-UHFFFAOYSA-N	401.557	5.011	30	20	HKED	
Cc1cc(F)cc([C@]2(F)CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1	505297697	KCQSTVYRMZONSY-AOMKIAJQSA-N	415.509	5.489	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	505322915	MXRKTJQWLGGFIK-CQSZACIVSA-N	409.389	5.001	30	20	HKED	
COc1ccc([C@H](NC(=O)N2CCC(C)(C#N)CC2)c2ccccc2Cl)c(C)c1	508349985	OMJSZUDEMNXIHH-NRFANRHFSA-N	411.933	5.082	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(OCC(C)C)CC1	508732471	HPCYJHVFRDKSQO-UHFFFAOYSA-N	421.010	5.051	30	20	HKED	
C=CCN(C(=O)c1ccc(CN(CC)C(C)C)cc1)c1nc(-c2ccccc2)cs1	508897717	JTORNRZCOQURJS-UHFFFAOYSA-N	419.594	5.873	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	509008229	XIZQDPHLLBCYTN-UHFFFAOYSA-N	424.500	5.442	30	20	HKED	
COc1ccc(NC(=O)c2cccc(C#N)c2C)cc1OCc1ccc2ccccc2n1	509508419	PUBAYYVOYUBQQJ-UHFFFAOYSA-N	423.472	5.255	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)C[C@H](C)C2	509710213	CKFMFIZSMFYNMY-UHZPHJADSA-N	413.521	5.572	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCC(OC(F)F)CC1	510871725	JYCCJUBBJYDFJG-UHFFFAOYSA-N	414.452	5.182	30	20	HKED	
C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	517355703	WTMKWYLRIZDEDH-XDHUDOTRSA-N	416.452	5.092	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	517528983	DLDOLDHRUOZVOP-APWZRJJASA-N	423.538	5.221	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1	518140398	NZEFLMYICWPAST-GAJHUEQPSA-N	421.591	5.318	30	20	HKED	
N#Cc1ccc(/C=C/c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc1	518344516	RCMPGUYPDJSXPP-SDNWHVSQSA-N	403.445	5.177	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1	518666558	FAEBIWOVCVIMCG-UONOGXRCSA-N	407.461	5.396	30	20	HKED	
C=CCCO[C@H](C)C(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1	519070060	KROUAHNOFJCHII-LJQANCHMSA-N	406.551	5.367	30	20	HKED	
Cc1ccc(NCc2cccc(C#N)c2F)cc1Oc1ncccc1Br	519074607	HFCHQLLPWSXGEY-UHFFFAOYSA-N	412.262	5.568	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1	521643225	WJWHHRTZMDLCHY-BJKOFHAPSA-N	416.452	5.140	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl	521952058	AJWXLMHCVWPCHK-IRXDYDNUSA-N	405.350	5.018	30	20	HKED	
CCC[C@H](CNC(=O)CSc1cc(C#N)ccn1)c1ccc(Cl)cc1Cl	524289931	JIMUHAKTLZUSIE-CQSZACIVSA-N	408.354	5.052	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(F)c1	525628590	JVTXMIWMSPFKNL-QGZVFWFLSA-N	409.313	5.460	30	20	HKED	
CCCN(C)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C	532513398	VCZJSOODUIGJNS-KTKRTIGZSA-N	420.582	5.073	30	20	HKED	
FC(F)(F)Oc1ccc(C#CCNc2cccc3c2CN(c2nccs2)C3)cc1	533953495	SXGJMJQWZROLST-UHFFFAOYSA-N	415.440	5.026	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(-c3cccnc3)s2)sc2c1-c1ccccc1CC2	534177936	QWYSAVPHIUCYPC-UHFFFAOYSA-N	414.515	5.156	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccc(C#N)s1	538415136	DEWRSRKTPFLSAD-NSHDSACASA-N	418.385	5.665	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	540565014	UMMUSOXLDGPQOI-QGZVFWFLSA-N	412.946	5.820	30	20	HKED	
CC[C@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1Cc1ccccc1	546834600	XDWZTUMSFKJBRK-CTNGQTDRSA-N	422.598	5.067	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3cccc(C(F)(F)F)n3)no2)c2ccccc21	547162801	NDVCNRYGTSCIRO-MDZDMXLPSA-N	409.371	5.189	30	20	HKED	
N#CCc1ccnc(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)c1	548378129	KNZLEUPBTYAFNT-UHFFFAOYSA-N	416.239	5.638	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	553414100	HBTVOCQQHDUHLL-UHFFFAOYSA-N	413.420	5.061	30	20	HKED	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1ccccc1Oc1ccccc1C#N	558328478	NOXMJPSXKLXOTC-UHFFFAOYSA-N	408.461	5.013	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C1CC1	558512617	TYNAVXNMBMVWKQ-UHFFFAOYSA-N	416.485	5.119	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)C3(Sc4ccccc4)CCCC3)CC2)c(F)c1	561305802	YMFOGZVGMZMVJP-UHFFFAOYSA-N	424.541	5.172	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	569984341	LWLMJQJPELSXKN-INIZCTEOSA-N	401.422	5.309	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3cccc(CSc4ccccn4)c3)CC2)cc1	572801988	IYNWHVBCTVPFMD-UHFFFAOYSA-N	400.551	5.326	30	20	HKED	
CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	573292061	MONBITRTDKAUHP-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	576867455	ONLGUDUAFDZMPH-QGZVFWFLSA-N	416.481	5.415	30	20	HKED	
C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(NC(=O)Cc2ccccc2F)c1	580249324	COHCHTPJQNGBES-GKVSMKOHSA-N	413.496	5.217	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)cc1	588248826	XPPHWBMLCZQOGI-LJQANCHMSA-N	419.447	5.140	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-]	603759073	SWZYIBQJEVBGOU-GOSISDBHSA-N	421.840	5.165	30	20	HKED	
CCc1cc(C#N)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)s1	604028882	XSNLMNADBPKWDN-UHFFFAOYSA-N	420.321	5.715	30	20	HKED	
C=CCCO[C@H](C)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606805290	ANOKVIJNTUJOGN-TZMCWYRMSA-N	423.376	5.039	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609062188	DUJVYCWNOZCSOI-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)c(F)c1	609262443	HMAHKWYMWYWWTK-OAQYLSRUSA-N	412.436	5.125	30	20	HKED	
CCN(CC)C(=O)[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	609709025	KMGZWEPVAWLYBN-VWLOTQADSA-N	413.521	5.159	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1Cl	609807428	SUKTYSNVISXMSW-FPOVZHCZSA-N	419.937	5.964	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	610095111	ISIBLDQHUXEUTI-PXNSSMCTSA-N	411.571	6.243	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)CSCc2ccc(C#N)cc2)cc1	610189173	ORJMZQVUMAVLST-SFHVURJKSA-N	416.546	5.344	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCCC(C)C	613392138	JODGIFDFPUPPJT-IBGZPJMESA-N	420.534	5.734	30	20	HKED	
N#C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc(Cl)cc1	619864103	PVRGSAJPSXJJPI-IBGZPJMESA-N	403.898	5.340	30	20	HKED	
O=C(Nc1cccc(F)c1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	672847166	LOLQFIZURQAUBU-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1[C@@H](C)C1CC1	679092619	YHMUPMCZWXNNHW-FZMZJTMJSA-N	418.444	5.281	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1	726942156	RUOXSKCMXUSWHC-UHFFFAOYSA-N	408.505	5.213	30	20	HKED	
COc1ccc(N=Cc2cccc(OC)c2O)cc1OCc1ccc2ccccc2n1	727972673	CKPTVQOJTLVFBX-UHFFFAOYSA-N	414.461	5.287	30	20	HKED	
CC(C)c1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	727980033	BTPODBGIUJIZPC-UHFFFAOYSA-N	401.535	6.070	30	20	HKED	
COc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728175314	PEQLBFPKOWATKY-UHFFFAOYSA-N	407.470	5.094	30	20	HKED	
CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc2nc(C(F)F)[nH]c2c1	730161077	UBORGZKMPYSHLY-GFMRDNFCSA-N	414.481	5.024	30	20	HKED	
CCN(CC)Cc1csc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1	730213204	KGWKLHSLEGISMM-UHFFFAOYSA-N	424.501	5.040	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1	730949000	OFZNDQJLOLOBQK-GFCCVEGCSA-N	416.959	5.341	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)c1	731319238	QDNCHCADXWQFLK-UHFFFAOYSA-N	404.882	5.685	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1	733771448	RPVUHUQMPZBFSZ-DNVCBOLYSA-N	404.432	5.196	30	20	HKED	
COc1ccc(Nc2nnc(SCc3cc(Cl)ccc3OCC#N)s2)cc1	735230636	FOMNILWRLCDEKO-UHFFFAOYSA-N	418.931	5.138	30	20	HKED	
O=C(/C=C/c1cnc2ccc(Br)cn12)c1cccc(-c2ccncc2)c1	741474766	ZOYVMUMHOYCHGY-AATRIKPKSA-N	404.267	5.055	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1	741506075	AUSMRVXWOYUMDI-SFHVURJKSA-N	400.547	5.733	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cccc(Oc3ccccn3)c2)cc1OC	742961381	BAXZDYGXBOMNTO-ACCUITESSA-N	402.450	5.099	30	20	HKED	
O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1cc2cc(Br)ccc2o1	743057920	WAFJXRDPANTJHN-CLTKARDFSA-N	421.250	5.674	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1cccc(C#N)c1	743229362	PXCYCSUWQDHHRG-CVEARBPZSA-N	408.502	5.027	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030891	NRQZMKGYCNPZMA-BLLLJJGKSA-N	407.272	5.049	30	20	HKED	
C[C@H](CC(=O)c1cccc(F)c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	744036431	YSTCXADBJNNAOJ-ABAIWWIYSA-N	400.862	5.174	30	20	HKED	
COc1cc(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)ccc1SC(F)F	746346942	VLDTZUPXRIKLLY-CLFYSBASSA-N	400.450	5.151	30	20	HKED	
Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c2c1	746480741	BXDBNTUCFLECLB-UHFFFAOYSA-N	406.829	5.106	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21	748417164	YIICWTVUCZINOF-INIZCTEOSA-N	414.486	5.242	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2ccccc2o1	750689887	MVVWENUHGCCCAH-DOMZBBRYSA-N	407.882	5.386	30	20	HKED	
C[C@@H](Cc1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	754530274	DYEOENQXCSIUFW-SMDDNHRTSA-N	409.700	5.173	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C\c3ccc(-c4ccccc4[N+](=O)[O-])s3)ccc21	754689726	MQEYJRCETGOJKC-FLIBITNWSA-N	418.474	5.128	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccccc2CCC(F)(F)F)cc1	757197266	IXXWYNGGDJGVEG-NRFANRHFSA-N	423.438	6.481	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	759223735	XPSCOJDJGLNQHQ-LRDDRELGSA-N	418.440	5.379	30	20	HKED	
C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Nc1ccc(F)cc1OCC#N	761662836	VMTVUOJDGODRNS-NSHDSACASA-N	408.260	5.186	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(Oc3cccc(F)c3)cc2)ccc1OC	767692691	XVJFXZFQACBDLZ-NRFANRHFSA-N	420.484	5.597	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)Cc1ccc(Cl)cc1	772647438	YPWXRDOXRVCHSZ-FOIQADDNSA-N	419.937	5.780	30	20	HKED	
C#CC[C@H](N[C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)c1ccccc1	773113640	DKJBQUDCYVLVKS-UTKZUKDTSA-N	420.578	5.475	30	20	HKED	
COc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1	776162446	HJBZWTHMSBTWMB-BVZFJXPGSA-N	420.940	6.000	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1	779103151	AHESLYRISSRAIC-VWNXMTODSA-N	401.466	5.155	30	20	HKED	
Cc1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)n(C)n1	789156512	OVDUHYBFDKZQMP-TWGQIWQCSA-N	414.292	5.184	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	789454796	FFZVYGOMKKWMRJ-UHFFFAOYSA-N	418.541	5.015	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C\c3cc(Br)c(Cl)s3)cc2N1	790225931	YGJFQZZFDQCYGP-UPHRSURJSA-N	420.762	5.166	30	20	HKED	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1	796149658	DUCKWUGZNMAJBG-UHFFFAOYSA-N	422.481	5.203	30	20	HKED	
C[C@H](C#N)OCCSc1nnc(-c2cccs2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2	801653674	IJWQHEGBNIHCCW-UHDSXZAQSA-N	402.589	5.025	30	20	HKED	
N#Cc1sc(N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)nc1Cl	804647668	ZYMFIZFHHXFWQO-AWEZNQCLSA-N	419.735	5.222	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	810529608	KNBPOWOXDCMFSW-IBGZPJMESA-N	404.491	5.129	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2ccccc2O[C@H](C)C#N)cs1	813152536	FTROHMNVERJNQE-OAHLLOKOSA-N	423.513	5.465	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915350559	YIHKWMGIFAJLTI-QFIPXVFZSA-N	419.912	5.668	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1	916899119	OCABWFPJXFPGED-SWLSCSKDSA-N	407.322	5.130	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2o1	917510065	KVPOPJMOZUQTJN-HGPCXVNDSA-N	404.878	6.099	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)COCc1ccccc1	919773812	ZLTIBDNVHSOJJZ-CJFMBICVSA-N	413.521	5.316	30	20	HKED	
N#CCOc1ccccc1C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	920003353	KJRKCTKMZAEWKW-UHFFFAOYSA-N	411.288	5.415	30	20	HKED	
CSc1nc(O)c(C(=O)O[C@H](c2csc3ccccc23)C(F)(F)F)cc1C#N	1358341635	UKSWJUCNXGVDOI-CQSZACIVSA-N	424.425	5.056	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccs3)CCC2)cc1	1791580666	JTGODQLKMVDWKT-ISLYRVAYSA-N	406.551	5.089	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1	1791588142	DXTFEHUVISDCDX-UHFFFAOYSA-N	403.309	5.317	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC4CCC4)cc3)CCC2)c1	1792271179	IITQHFJGVAHJKF-GOSISDBHSA-N	415.537	5.252	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2	65880705	LCKODFKUGMVUHS-APVMCDBPSA-N	415.924	5.607	30	20	HKED	
CN(Cc1ccc(Cl)nc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	97150949	NFWGXRHNDHVNEX-UHFFFAOYSA-N	407.926	5.171	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1Cl	107648416	NTPFUPXGHURMEO-JOCHJYFZSA-N	412.880	5.433	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc(-c2ccncc2)cs1	195662463	HWMWYGFOFXPWET-INIZCTEOSA-N	405.479	5.563	30	20	HKED	
COc1ccc([C@H](NCc2cccc(OCCCC#N)c2)c2ccccc2Cl)cc1	237363842	HKNDHFZRCNRFPR-VWLOTQADSA-N	420.940	5.910	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(Cl)c1	261489118	XTRHRVBKSYXNJM-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)COCc1ccccc1	303002778	NEOCTDSHFJIKDM-IBGZPJMESA-N	416.546	5.292	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1	303260178	DZRCCFDYRLNGOT-UHFFFAOYSA-N	411.527	5.060	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(Cl)cc1	303270303	HCTVOHSSCKULOC-HUUCEWRRSA-N	404.988	6.025	30	20	HKED	
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	303346278	MOLNKHSEPYFDEX-MSOLQXFVSA-N	415.493	5.037	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1	303832588	HOFZJNDIEMBLAV-ZWKOTPCHSA-N	404.388	5.010	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Cl)cs1)c1nc(-c2ccc(Cl)cc2)cs1	303931728	XIPUTFWEHXEIPP-OAHLLOKOSA-N	407.347	5.987	30	20	HKED	
CCCc1c(NC(=O)C[C@H](C)c2c[nH]c3ccccc23)cnn1-c1cccc(C#N)c1	427500324	UTPNPEMEGBZJNQ-KRWDZBQOSA-N	411.509	5.310	30	20	HKED	
COc1ccccc1-c1nnc(S[C@@H]2CC[C@@H](C#N)C2)n1-c1ccc(Cl)cc1	430146039	IFSQHXJRTGYPMA-RHSMWYFYSA-N	410.930	5.381	30	20	HKED	
Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1	432003543	RHXCSBXUDJALNX-GOSISDBHSA-N	406.489	5.210	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1cccc(Cl)c1	438061159	RXQIYRAHSDDYRS-LSDHHAIUSA-N	403.935	5.181	30	20	HKED	
CC1CCC(N(C[C@H]2CCCO2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	438076682	SMAGAKWNLSYFQG-ZUPWUQBJSA-N	415.603	5.672	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1	438090549	BXYWHONOOMIJLR-AZUAARDMSA-N	402.523	5.477	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2c2cccs2)cnn1-c1cccc(C#N)c1	439686278	YFCIXBNZHRMNLD-FQEVSTJZSA-N	405.527	5.127	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1	442091340	UJVOTHVMEWXZAC-OAHLLOKOSA-N	419.481	5.128	30	20	HKED	
Cc1ccc(-c2nnc(S[C@H](C)c3cccc(C#N)c3)n2Cc2ccco2)cc1	442908128	ZSBGFZKMACKLJR-QGZVFWFLSA-N	400.507	5.620	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	444006581	BBSZNQNRWUYUHG-OAHLLOKOSA-N	413.502	5.185	30	20	HKED	
C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CCCC1(C)C	444794336	VFVWKKHYALJYNF-HXUWFJFHSA-N	418.006	6.048	30	20	HKED	
C[C@@H](C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1)c1cccc(C#N)c1	462039860	PBGDSNROAOVSDB-LJQANCHMSA-N	401.510	5.188	30	20	HKED	
COc1ccc2c(c1)N(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CCO2	464381964	GASOIWMGFGLKJS-UHFFFAOYSA-N	420.852	5.052	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3cccc4ccsc34)s2)cc1	464559498	UWFUVYYBJRBHCM-UHFFFAOYSA-N	408.533	5.169	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C2CCCCC2)no1	464702370	HXGYHGSQQJWWOS-INIZCTEOSA-N	416.481	5.272	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1	464952769	OPPRWMGKXDOOBR-IZZNHLLZSA-N	421.500	5.049	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1	464952773	OPPRWMGKXDOOBR-UIOOFZCWSA-N	421.500	5.049	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(C[S@@](C)=O)c2C)cc1	464960391	DHPWREFFBQFVLW-SSEXGKCCSA-N	418.518	5.098	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(OCC3CC3)CC2)c1	464984980	OKHHTDLZKJONCC-UHFFFAOYSA-N	410.901	5.035	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1	467155628	RCNMEUWGORIRAP-FQEVSTJZSA-N	407.514	5.330	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1	467368919	ISIQLEAFQDWGKX-JOCHJYFZSA-N	417.465	5.459	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	469674041	QLCISWMBTBRABI-KRWDZBQOSA-N	408.571	5.667	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1	471174549	YQKLCEWUBSZAQA-UHFFFAOYSA-N	421.472	5.590	30	20	HKED	
C=CCNc1nnc(S[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)s1	471201775	BFBACNHFDZRCED-MRVPVSSYSA-N	414.343	5.346	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C	473774540	SVIDYKNZICVDKN-UHFFFAOYSA-N	420.534	5.083	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccccn4)no3)c2C#N)C1	474215839	CUTURCPYPQPSJI-CYBMUJFWSA-N	406.511	5.073	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	475059122	HWIZXGFWGWQOCX-MRXNPFEDSA-N	415.337	5.070	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	475386484	CQRQZKJXZBVJCS-HXUWFJFHSA-N	418.468	5.439	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccccc2Cl)n1	476118766	OBCSGYMNZAQYKC-UHFFFAOYSA-N	410.970	6.497	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)c1ccccc1	476332815	LWVSDJLQMJFLEL-LJQANCHMSA-N	400.444	5.499	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1	477675641	DJNAEOQVBXKTOU-UHFFFAOYSA-N	411.486	6.035	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1	480638804	DVVAPMUONXBZIT-INIZCTEOSA-N	405.523	5.025	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(F)c(F)cc(F)c1F	481172206	IFERTWITOIEWCY-UHFFFAOYSA-N	400.331	5.468	30	20	HKED	
C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481682010	DSGLVNUZPLAQLV-QGZVFWFLSA-N	403.457	5.501	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F	483109515	QXHAENQHTWJAIP-INIZCTEOSA-N	408.468	5.332	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)s1	487227803	HYQKQTKUAKDPKS-STQMWFEESA-N	417.600	5.495	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)cc1	488515920	MIPKBEZZGYBMEQ-HNNXBMFYSA-N	424.551	5.170	30	20	HKED	
CN(Cc1cccc2[nH]ccc12)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	494534410	ZDMYTGOTDLBJBY-UHFFFAOYSA-N	424.504	5.477	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4ccc(OC)cc4c3)n2)cc1	497359306	ATRRAJWIXLMIHZ-NRFANRHFSA-N	414.486	5.471	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1	499897388	UFKFPMSUXBHWQU-OPAMFIHVSA-N	420.513	5.384	30	20	HKED	
Cc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)cnc1N1CCCC[C@@H]1C	502871948	RSDMFMINCWESPB-FQEVSTJZSA-N	414.557	5.158	30	20	HKED	
CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	503221746	CMEIIVIXOXUSIX-HRAATJIYSA-N	415.990	6.595	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N2CCC(C)(C#N)CC2)nc1-c1ccc(Cl)cc1	504419781	RBRVOWGAEWDOJU-CYBMUJFWSA-N	402.951	5.168	30	20	HKED	
C=CCN(C(=O)c1nc(-c2ccccc2)cs1)c1nc(-c2ccccc2)cs1	504578220	PEGYCDAVEZHSIL-UHFFFAOYSA-N	403.532	5.766	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(CCCC)no2)nnc1-c1ccc(Cl)cc1	505427035	DFLKOIGOFKSOAV-ZDUSSCGKSA-N	403.939	5.363	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc(-c2ccncc2)cs1	505700451	JTGINVUDDAIQHT-ZDUSSCGKSA-N	424.457	5.097	30	20	HKED	
N#CCCCCSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F	510005530	NWXLICLMXFQOEM-UHFFFAOYSA-N	423.508	5.058	30	20	HKED	
CSc1cc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(Cl)cc1Cl	511736606	LKQQNEHKFOBNGF-UHFFFAOYSA-N	421.284	5.164	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3sc(C)c(C)c3C#N)o2)cc1	511979775	ZVFWQQZDBYBEFJ-UHFFFAOYSA-N	413.502	6.119	30	20	HKED	
O=C(c1c[nH]c(C(F)(F)F)c1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1	512116525	OXZLIOVXVAIGBL-UHFFFAOYSA-N	424.316	5.033	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	513199810	DCOQHPDEHUDSEC-MRXNPFEDSA-N	403.507	5.512	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	513674974	MRRQAECUGKJEPE-YKSBVNFPSA-N	406.526	5.111	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1	515105983	AYOVLGAUBLWMLL-UHFFFAOYSA-N	420.560	5.251	30	20	HKED	
CC(C)OCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)oc2ccccc12	515540185	IMFQEKZGYUFBEB-OAHLLOKOSA-N	423.419	5.593	30	20	HKED	
CCCC[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(OC)cc1	517147588	VXFUTRUHAZETAS-DEOSSOPVSA-N	421.541	5.051	30	20	HKED	
CCCCN(Cc1ccccc1Cl)C(=O)Nc1ccccc1SC[C@H](C)C#N	517473567	PQLIMPBKBSBIDG-QGZVFWFLSA-N	415.990	6.426	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)nc1	517651642	PYSPIUPWTGKXRK-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccc(/C=C\c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc1	518344515	RCMPGUYPDJSXPP-KAMYIIQDSA-N	403.445	5.177	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCCOc1cccc(C#N)c1	518376586	ZIIRCYWGVMDWJU-MRXNPFEDSA-N	404.432	5.346	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1)c1ccccc1	518867266	UDSRFUQNRHWQML-SFHVURJKSA-N	401.535	5.603	30	20	HKED	
C=CCOc1cccc(NC(=O)N(CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)c1	521209640	FKVPWAJFLJVJFW-MRXNPFEDSA-N	422.447	5.512	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1	521796254	ASGPLZCNMHANBL-OAHLLOKOSA-N	410.930	5.231	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccco3)cc2)c1	521810859	HKTHTOJCSPQYNH-XMMPIXPASA-N	409.445	5.855	30	20	HKED	
COc1ccc(Cl)cc1N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1	522302755	UGBCXTAIRGBEJN-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	524317970	LQESIECMJDQDKQ-UHFFFAOYSA-N	407.564	5.601	30	20	HKED	
CSc1ccc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	526035933	FGEISARBHDJBKK-HNNXBMFYSA-N	402.610	5.532	30	20	HKED	
CC(C)CN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccc(C#N)cc1	533254942	NIJLWKPIHMKTDM-IBGZPJMESA-N	420.582	5.049	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534152304	KBBADUWUNVJVHL-HXUWFJFHSA-N	405.885	5.622	30	20	HKED	
C[C@@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(C#N)cc1	537292338	HQHPZKGQPOBJQP-ZIAGYGMSSA-N	412.356	5.856	30	20	HKED	
CCCc1ccc([C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2cccs2)cc1	537512094	NFIGFFMUXFBCCE-NRFANRHFSA-N	407.543	5.030	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(C#N)cc2OC(F)F)ccc1OC1CCCC1	539253655	ODHXEAPYOXNORE-HNNXBMFYSA-N	416.468	5.340	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccccc1	539359450	CWDMZAZHQSHFLM-FQEVSTJZSA-N	400.482	5.497	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	540308076	MBYWFSYGDZUOHX-IBGZPJMESA-N	421.850	5.523	30	20	HKED	
CN(C(=O)c1ccc(NCCCC2(C#N)CCOCC2)cc1Cl)C1CCCCC1	540809900	XCWOTTFYJWRKEX-UHFFFAOYSA-N	417.981	5.257	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(C3CCCC3)c2CCC)cc1	541292650	AWZFVOUYDIMRAU-UHFFFAOYSA-N	420.557	5.017	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@H]1c1ccnn1C)c1ccc(C(F)(F)F)cc1	543999201	XQUHIFUQKUIVTI-QUCCMNQESA-N	420.479	5.383	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	546005826	XXFUEEKVOGNTKR-NRFANRHFSA-N	410.445	5.317	30	20	HKED	
N#Cc1cccc(/C=C/c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)c1	546276424	RADCBKSVQBDKQC-VAWYXSNFSA-N	410.408	5.170	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	546922061	XUUIHBBRMIPUOZ-YOEHRIQHSA-N	409.839	5.848	30	20	HKED	
Cc1ccc(-c2csc3ncnc(N4CCC(C#N)(c5ccccn5)CC4)c23)cc1	548759692	ZJKPBJRXLWISFT-UHFFFAOYSA-N	411.534	5.124	30	20	HKED	
N#Cc1ccc(N2CC[C@H](c3nc(-c4c(Cl)cccc4Cl)no3)C2)c(F)c1	553185760	APJHNDPGCDTMRK-LBPRGKRZSA-N	403.244	5.048	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1	562487613	LKEIWVDEMXSKII-HNNXBMFYSA-N	400.320	5.002	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)Cc1ccccc1F	586829997	FZVGUEMJSFXUGT-UHFFFAOYSA-N	423.557	5.772	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	589261788	RYAIRIWBXAHBCX-SFHVURJKSA-N	416.546	5.740	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1	589382280	OICYADRHMPBTGH-UHFFFAOYSA-N	401.388	5.098	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c3ccccc3)cc2)cs1	589846002	SNVQWQPUPXWXQJ-ZWKOTPCHSA-N	418.566	5.105	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(CC)cc2)n1	603527983	YLRUQRGQJVNHPA-UHFFFAOYSA-N	403.551	5.225	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)cn2)c1	603693550	YOVDWPPFXHIJRT-XMMPIXPASA-N	421.460	5.052	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CSc1ccc(C#N)cc1	603918475	STCVEJTVVBRVJT-UHFFFAOYSA-N	416.506	5.242	30	20	HKED	
Cc1noc2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc12	604203263	MLTQMBJEGJNWRX-IBGZPJMESA-N	402.841	5.092	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC3(CCCCC3)CC2)cc1	608841280	NHFBJKCUGROXTR-UHFFFAOYSA-N	417.553	5.910	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1ccccc1OC(F)(F)F	608936188	VEKXNQOEVZUDJK-UHFFFAOYSA-N	404.432	5.074	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609061967	NMDICSWTINPFLU-IBGZPJMESA-N	400.478	5.160	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	609177438	UHMYHKSSGDNTLM-MWTRTKDXSA-N	411.461	5.197	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1	609573035	RHWULDFVHPMUIB-OAHLLOKOSA-N	423.904	5.664	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	609683363	RMEXWIFNQHECFU-PGRDOPGGSA-N	424.504	5.220	30	20	HKED	
CCC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	609727176	CEYBIEAXNXDRAG-UHFFFAOYSA-N	419.868	5.605	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2cnc3ccccc3c2)cc1	609847489	NVSNUTUHGSQTGF-UHFFFAOYSA-N	409.464	5.017	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(OCCCC#N)c2)c1	610171913	XUNBQYIKSPHBDM-UHFFFAOYSA-N	413.905	5.259	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@@H](CCC#N)c3ccccc3)cs2)cc1	610976292	JRKJESNMHGCJMN-QFIPXVFZSA-N	403.551	5.637	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1	613392731	ZKSUBFNYVNWYJV-QFIPXVFZSA-N	410.498	5.879	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OCC	613407048	FITRSAFVRPWWKJ-OAHLLOKOSA-N	414.914	5.627	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccc2ccccc2c1	615342648	NLTXJVNKBYHNQG-IBGZPJMESA-N	406.599	5.499	30	20	HKED	
C[C@@H](c1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1)C(F)(F)F	622477677	HBONLAMPLWHXDK-ZBEGNZNMSA-N	407.329	5.915	30	20	HKED	
O=C(c1c[nH]cc1-c1ccccc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	683828932	ZJPLAPFZCWCAOS-QWRGUYRKSA-N	408.317	5.024	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2c(Cl)cccc2Cl)C2CC2)cc1Cl	726484141	FGEWKQUOYAXDQY-UHFFFAOYSA-N	410.757	5.880	30	20	HKED	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1	726626363	DZQYVOJDBAGUIF-RQZCQDPDSA-N	400.912	5.016	30	20	HKED	
C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)c3cccs3)C2=O)cc1OC	726630811	XPWTZFYBPXILCE-HTMJNSLASA-N	417.577	5.284	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Oc2cccc(Oc3ccccn3)c2)c1	726729958	VUVFKSMDVJQYRW-UHFFFAOYSA-N	412.401	5.137	30	20	HKED	
O=C(Nc1cccc(SC(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	727597489	GAVKQGVZEFXSQQ-DTORHVGOSA-N	422.341	5.596	30	20	HKED	
Cc1nc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)sc1-c1ccccc1	727986831	FWIPFLAWUMWHCD-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1cccc(F)c1	728061885	AXICAKBYCXINRW-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@@](C)(C#N)CCc3ccccc3)cs2)cc1	732105381	NVEWUXUDYUNQNT-RUZDIDTESA-N	417.578	5.507	30	20	HKED	
O=C1/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOc2c(Cl)cccc21	733748845	KSSQWNUWACVGSY-FMIVXFBMSA-N	412.854	5.421	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	734080936	ATUIVPOPDMIAJP-JCRZBSBLSA-N	403.507	5.272	30	20	HKED	
CC(CCc1ccccc1F)=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	734095967	DSHWFJCMLBYUPA-UHFFFAOYSA-N	403.383	5.117	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](c2ccccc2)C2CCOCC2)c1	734509438	KRODVTKKUQIFAS-HHHXNRCGSA-N	412.533	5.395	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1	734654529	WGIQRKJNKKDPOP-GOSISDBHSA-N	401.466	5.051	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(Cc2cccs2)n1C1CC1	735231048	UPPBFKLOLPIBRS-UHFFFAOYSA-N	416.959	5.113	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	735569274	AADQEESRTWMRBX-UHFFFAOYSA-N	410.949	5.502	30	20	HKED	
N#CCCSc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1	735626756	CDLXZKUTOHXTNR-UHFFFAOYSA-N	413.902	5.756	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)Cc3csc(-c4ccccc4Cl)n3)[nH]c12	735792142	IJVXUVCPTMPPSL-OAHLLOKOSA-N	406.898	5.067	30	20	HKED	
COCc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)oc2ccccc12	739590675	MNSZNNKOGVQDHU-UHFFFAOYSA-N	402.475	5.109	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3cccc(OCC(F)(F)F)c3)c2)s1	740014103	MKNBDKZHIJKOHN-UHFFFAOYSA-N	402.441	5.518	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cnn1-c1ccc(C#N)cc1	741844283	NJOHRWKBOWJWEE-PKNBQFBNSA-N	424.416	5.117	30	20	HKED	
Cc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)ccc1Br	746391825	BIUSQFFMORTTER-YBEGLDIGSA-N	401.329	5.266	30	20	HKED	
COc1ccc(/C=C/C(=O)c2sccc2Br)cc1OCCCC#N	747361704	XCYKNGOALJGZOE-GQCTYLIASA-N	406.301	5.098	30	20	HKED	
C#CC[C@@H](NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	756995386	HMJJVZNDPHWULJ-HSZRJFAPSA-N	416.477	5.037	30	20	HKED	
COc1cc(COC(=O)C2CCC(F)(F)CC2)ccc1OCc1cccc(C#N)c1	758556396	VAYKHFWCULISHE-UHFFFAOYSA-N	415.436	5.015	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc(Cl)nc1	759040663	JQIFUYNSASRARQ-POHAHGRESA-N	405.860	5.301	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@H]1CCC[C@@H](C(F)(F)F)C1	764749179	ASFVVXKVIGYHBU-NKWVEPMBSA-N	410.223	5.069	30	20	HKED	
CC(C)(CC#N)COC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12	764835120	XMBPQPXUTAWXMC-UHFFFAOYSA-N	424.298	5.156	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1)c1ccncc1	765498727	ITRNANBQYUNKBN-DVECYGJZSA-N	401.510	5.338	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(Cl)cn3)n2)cc1	769280653	BJZRXWHITYSLMS-MRXNPFEDSA-N	409.898	5.006	30	20	HKED	
CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ccc(F)cc2OCC#N)cc1	772169632	PXTFAZGBTDHRMB-UHFFFAOYSA-N	417.444	5.462	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F	774041864	BALYWBUXIZXYRT-MRXNPFEDSA-N	408.807	5.141	30	20	HKED	
CCN(C)[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	780311452	CDAIFJVVSOVDCP-AZUAARDMSA-N	409.942	5.333	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CCC2	780521705	VIQAQCPQSDBAGH-LJQANCHMSA-N	404.495	5.315	30	20	HKED	
CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	782818860	ZCSOKNJGRTVXJM-HSZRJFAPSA-N	411.505	5.217	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccc(F)cc2)CC1)c1nc(-c2c(F)cccc2F)cs1	783076824	ZDLKFQSOBLOXOS-HNNXBMFYSA-N	412.436	5.427	30	20	HKED	
COc1cc(/C=C\C(=O)c2cncs2)ccc1OCCOc1ccccc1Cl	787171492	NKADLISMEFZGMN-VURMDHGXSA-N	415.898	5.159	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(O)(c2c(F)cccc2F)CC1	789457464	TUERWTDCHLTGIC-UHFFFAOYSA-N	414.496	5.332	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	789458030	XKQHXVIOIKHKTF-SFHVURJKSA-N	415.578	5.307	30	20	HKED	
N#CCOc1cccc(NC(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1	792245029	SNAGICROUPEJDA-UHFFFAOYSA-N	409.795	5.072	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CC(C)(C)[C@@H]2c2cccnc2)c1=S	793576179	WRIOLHPCVCQZDN-FQEVSTJZSA-N	405.571	5.011	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1=S	794666674	YOHMZZXRCYNWCP-DOMZBBRYSA-N	416.900	5.151	30	20	HKED	
C[C@H](Cn1ccc2ccccc21)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	796902351	CAZOOLJJBYHECT-ZBFHGGJFSA-N	421.472	5.556	30	20	HKED	
CC(C)(C)N1CC[C@@H](NCc2ccc(OCC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1	801954738	JMDFFWKYVVLTTR-FGZHOGPDSA-N	415.940	5.085	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1coc(C2CCCC2)n1	802042414	FDJGCMBDWLETGL-GOSISDBHSA-N	415.449	5.086	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1csc(-c2ccccc2F)n1	815900025	LYEAEGGTBVFBRY-KRWDZBQOSA-N	415.493	5.651	30	20	HKED	
COc1ccccc1/C=C\C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl	916333828	WAMMNXNVMMBVFN-WZHMFCIKSA-N	405.310	5.097	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccccc3)s2)cc1	916915072	CHFWIKPRULDKSU-LJQANCHMSA-N	403.507	5.114	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccccc2)n1	916927246	HCNIDAMQANDVJB-CYBMUJFWSA-N	416.289	5.078	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccccc2)CCC1)c1nc2cc(C(F)(F)F)ccc2s1	917043851	OPKOSJKWONRMDS-OAHLLOKOSA-N	400.425	5.613	30	20	HKED	
Cc1cc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)c(C)o1	918181541	PDDCZAVLLMYLCN-UHFFFAOYSA-N	419.462	5.316	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)[nH]c4ccccc34)n2)cc1	920140803	BNDVSDVKSTVKQR-LJQANCHMSA-N	401.491	5.027	30	20	HKED	
C[C@H](c1cccc(C#N)c1)N(C)Cc1nc(O)c2c(-c3ccccc3)csc2n1	1171400252	VITUKXABEQZYAG-OAHLLOKOSA-N	400.507	5.129	30	20	HKED	
C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1	1791244555	WOIPLNIUDFLDTC-NYCKFLRTSA-N	413.521	5.194	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1	1820978051	FABRSARJZMUXDP-PXNSSMCTSA-N	414.594	5.221	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)CC1	1826316734	LHUVZFPMYNUOKH-TUACAJSNSA-N	410.602	5.012	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1828829313	GVRBNGZMXIOSLF-BIHRQFPBSA-N	414.634	5.201	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccoc1C	14063943	IKFVAJBAQHUPEC-UHFFFAOYSA-N	423.325	5.070	30	20	HKED	
Cc1ccc(NC(=O)C(=Cc2cccc(C#N)c2)C(=O)Nc2ccc(C)cc2C)c(C)c1	14178371	KLGXXDANXMCZPO-UHFFFAOYSA-N	423.516	5.453	30	20	HKED	
Cc1nc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2cc(-c3ccccc3)sc2n1	21170240	VFNPVRVPYQGFFJ-RCDICMHDSA-N	424.595	5.202	30	20	HKED	
N#Cc1cccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1	21802505	KSQDOYBZKHNAOK-UHFFFAOYSA-N	401.249	5.196	30	20	HKED	
CC(C)c1c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cnn1-c1ccccc1	29825694	KLUZFFFJKCNPBF-UHFFFAOYSA-N	406.489	5.043	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n1	45795610	CXSMJMYZBRYGGZ-LLVKDONJSA-N	422.407	5.631	30	20	HKED	
CCCCc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	47362168	OOMDGWWRBOULRI-KRWDZBQOSA-N	405.523	5.108	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c1	55771722	KDWSIXZVVJKKOE-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1Oc1ccc(Cl)cc1	63479645	GAXILLODOUBLIB-UHFFFAOYSA-N	423.925	5.799	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3ccc(F)cc3)CC2)cc1	97496178	SSZOAEXVFDULKO-UHFFFAOYSA-N	416.521	5.451	30	20	HKED	
COc1ccc(C)cc1-c1csc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)n1	108464838	JWOHNSLDLYIWGH-OAQYLSRUSA-N	421.522	5.041	30	20	HKED	
COc1cc(/C=C(/Cl)c2ncc(-c3ccc(Cl)cc3)o2)ccc1OCC#N	213663571	MYRPYKHZGMPJQT-MHWRWJLKSA-N	401.249	5.643	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@H]3CCCO[C@H]3c3ccccc3)c2)c1	237854243	ORXFVPDNVTWZFS-VPUSJEBWSA-N	412.533	5.395	30	20	HKED	
Cc1ccc(-n2c(Sc3snc(Cl)c3C#N)nnc2-c2ccncc2)cc1C	301932795	PSYLKXFUNVYTMX-UHFFFAOYSA-N	424.942	5.079	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	303388606	XSGNPRBIFVAKRO-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1	303407162	SSCOWCIXIDUGLT-IBGZPJMESA-N	415.562	5.256	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccc(CSc3ccccn3)c2)c1	303435865	GXQKYCBYMWVKIV-UHFFFAOYSA-N	417.534	5.433	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl	303518579	PTSAPQKAKWTGFF-FMKPAKJESA-N	413.226	5.497	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)Cc1c(C)noc1C	303873531	XWCIQWGJZDCYIB-OAHLLOKOSA-N	404.470	5.017	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1	427067718	RMVLJOITBSPXRX-UHFFFAOYSA-N	412.514	5.622	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c(Cl)c1	430355981	IAEUAQUYXZAYBZ-UHFFFAOYSA-N	419.655	5.353	30	20	HKED	
C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431870605	TWZXYURHRXAQOE-JXFKEZNVSA-N	414.347	5.114	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CC(F)(c2cccc(Cl)c2)C1	432088812	LOEPTWFGRPZNFX-UAXOWTEWSA-N	417.937	5.741	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C	434183601	OQXDECPSGNTPFM-IBGZPJMESA-N	402.542	6.297	30	20	HKED	
CCCCS(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	434242737	BSZUKGBUQQCSEH-UHFFFAOYSA-N	424.547	5.113	30	20	HKED	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2c1	437396495	XPPRSONOPNYCCQ-SFHVURJKSA-N	409.411	5.633	30	20	HKED	
CC(C)(C)c1nc(CC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cs1	437498140	NVDSHDMZMAWKFG-UHFFFAOYSA-N	409.486	5.425	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1	438457535	SJRUNCQUDULAPQ-URVUXULASA-N	423.557	5.293	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)o2)cc1	442668221	CUVGPYMBVOXHIS-GOSISDBHSA-N	402.498	5.052	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2o1	443528098	CVKMSKVJROGQPL-ZDUSSCGKSA-N	411.280	5.604	30	20	HKED	
CC1CCN(C2CCC(NC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)CC1	443935413	HSIOXFXCEVWWRP-HDYDNRTBSA-N	414.619	5.103	30	20	HKED	
C=CCC[C@@H](NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C(F)(F)F)cc1	444684983	PHWBBIATSBGQPI-MRXNPFEDSA-N	404.392	5.287	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1csc2ccccc12	446057684	APZRRFPXAZVHSQ-HNNXBMFYSA-N	408.548	5.755	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)cc1	460551050	LTDVGNYXLSRSSF-QHCPKHFHSA-N	402.542	5.221	30	20	HKED	
C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1ccc(C)s1	460553305	XLNVJUDHELUGDH-IBGZPJMESA-N	424.570	5.250	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	462798330	NMJFIPBIOYCRSZ-LJQANCHMSA-N	402.256	5.130	30	20	HKED	
CN(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CCCC[C@H]1C(F)(F)F	464381544	ANYREANWTXTHRJ-KFWWJZLASA-N	414.365	5.582	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)[C@H](C)c2ccccc2)cc1C	465463202	RMSDXBXPNDPUTR-PMACEKPBSA-N	400.526	5.003	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3cc(F)c(Br)cc3Cl)on2)c1	466470055	YXPRABPYAIEYAI-UHFFFAOYSA-N	420.625	5.021	30	20	HKED	
CCc1cccc(CC)c1-n1c(SCCCSCC#N)nnc1-c1cccnc1	466617196	ILTAAWYUQRRTFV-UHFFFAOYSA-N	423.611	5.193	30	20	HKED	
CN(Cc1nccn1CC(F)(F)F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	468540432	BXKJAHQQHYONEM-ZDUSSCGKSA-N	419.291	5.200	30	20	HKED	
N#CCCn1ccc(NC(=O)Nc2ccc3nc(-c4cccc(Cl)c4)sc3c2)n1	470591496	QYOLNRTYULBMGC-UHFFFAOYSA-N	422.901	5.371	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C3(c4ccc(C#N)cc4)CC3)s2)cc1	473578978	TUOSBLGUQSJKPR-KRWDZBQOSA-N	401.535	5.208	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	474528048	PKGQGRAGIGFLER-HSZRJFAPSA-N	416.912	5.094	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1csc([C@H](C)OCC)n1	475577920	JOUJWRLNUOPYAC-INIZCTEOSA-N	401.576	5.756	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccccc1	475757354	UFJNKWXZRMEPAS-WXVAWEFUSA-N	410.517	5.305	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2cccnc2)nc1	480940425	VUBXJRWYFYISGK-UHFFFAOYSA-N	400.891	5.204	30	20	HKED	
C=C(C)[C@H](N[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)c(F)c1	481596920	JJFUNAVVCYLRSJ-SGTLLEGYSA-N	423.385	6.002	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)o1	482483221	XUGWGNAOPBEVDQ-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)C[C@H](CC#N)c1ccccc1	483443514	XNRGIQNVIQZLAC-INIZCTEOSA-N	410.930	5.251	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1Br	487874397	GOHMFVFQRKCOGX-UHFFFAOYSA-N	416.300	5.210	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	488352536	OFLMQRUKQLNDSF-ZCFIWIBFSA-N	401.307	5.203	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1OC(C)C	488718613	XIAYWWQQULLFGK-UHFFFAOYSA-N	420.513	5.009	30	20	HKED	
O=C(NCCCCCc1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	489082624	XOXXDVRDAUKHDH-UHFFFAOYSA-N	414.365	5.065	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@H](c1ccc(F)cc1)C(F)(F)F	491472115	RFNMNNUGKGUZEN-CYBMUJFWSA-N	414.252	5.130	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C	496224431	SWRNUZZPVHHPOC-JOCHJYFZSA-N	410.514	5.312	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1	499884935	DOVBBLLUGCHCBA-OPAMFIHVSA-N	420.513	5.526	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H](C#N)c3ccccc3Cl)c12	499968776	NTVPQUYLTXSDRH-SFHVURJKSA-N	420.856	5.083	30	20	HKED	
CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	502045396	JTTRBDUQEPTKSP-UHFFFAOYSA-N	414.893	5.062	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1	502622954	ONPKCFBSSUFHKF-UHFFFAOYSA-N	420.444	5.570	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2occc2-c2ccc(F)cc2)CC1	503715785	IPODSBOINZHMFF-UHFFFAOYSA-N	404.441	5.077	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cc2ccccc2s1	504455065	ASECPVOJTQWVPO-MRXNPFEDSA-N	405.523	5.087	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(C(F)(F)F)c1	505972473	XGHDEGUWYWWQDJ-INIZCTEOSA-N	405.763	5.008	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	506707747	NQZFNRMTYPHXNA-QGZVFWFLSA-N	401.539	5.266	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1	509576565	WOFYEGPRUYTPHY-YPMHNXCESA-N	408.233	5.081	30	20	HKED	
CC(C)(C)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	511568201	YCUIBJFRODFMIC-OAQYLSRUSA-N	424.976	5.380	30	20	HKED	
C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1Br	514771024	HSGLAAPLAKOMOA-HNNXBMFYSA-N	421.294	5.394	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	515283986	MZPQKWJBGPGZQN-ODOSVJCGSA-N	421.541	5.470	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Cl)ccc1Br	515697010	JRLJUQUWEFTGHZ-UHFFFAOYSA-N	417.715	5.955	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SC(C)C)n2)cc1	520655144	UHPRWLNTXXSDTL-SFHVURJKSA-N	408.548	5.809	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1coc(-c2cccs2)n1	520690909	PAICRDKLJPBKKF-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)c2)cc1	521497975	WCYWUNVHSADDIY-UHFFFAOYSA-N	416.452	5.177	30	20	HKED	
CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1SC[C@H](C)C#N	521720699	WNFRJNXRZIUROD-CQSZACIVSA-N	416.930	5.202	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3oc(O)nc3c2)c1	522651998	XQDVCAKUZDPALZ-UHFFFAOYSA-N	405.797	5.103	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4c[nH]c5ncccc45)CC3)c2)cc1	523161614	MWEXCPDTPRSEMM-UHFFFAOYSA-N	421.504	5.198	30	20	HKED	
COc1ccc(Br)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	525796131	GCDWLLZBLSZUAN-GFCCVEGCSA-N	421.703	5.211	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1	533887231	CSHUKJWKJREKMH-NVXWUHKLSA-N	416.616	5.347	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl	539290107	VUOFSEGHTKAHKJ-ZHRRBRCNSA-N	415.990	5.660	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1	539725623	SEHNNAMEFUCYOU-UHFFFAOYSA-N	402.429	5.249	30	20	HKED	
C[C@H](NCc1ccc(Oc2ccccc2)nn1)c1ccc(-c2cccc(C#N)c2)cc1	541085849	XGKHSGZEULMQMI-IBGZPJMESA-N	406.489	5.658	30	20	HKED	
N#C[C@@H](C(=O)c1cncc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	543985919	FFBXDPXTPAJDIP-INIZCTEOSA-N	424.312	6.155	30	20	HKED	
Cc1c(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)sc2ccc(C#N)cc12	550542952	DXGPHRBBWRJLRH-CYBMUJFWSA-N	404.520	5.091	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1Cl	554246593	UPYMRGQFYHQTGL-FXAWDEMLSA-N	419.916	5.130	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H]1c1cccs1	554392104	DQJOGLOPPDKMMF-INIZCTEOSA-N	409.433	5.176	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1Cc1ccccc1	562023791	VLJATCBWPFHKJT-UHFFFAOYSA-N	402.542	5.665	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2	574107648	HYDPVPWISTWUOH-ZDUSSCGKSA-N	421.488	5.149	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H](C1CC1)C(F)(F)F	575948910	GOOIQFBQLCSEFT-LBPRGKRZSA-N	422.291	5.207	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCc2nccs2)cc1Cl	576745734	YAZZSLBSVSULDM-GOSISDBHSA-N	410.930	5.206	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	577244503	VQYGKIAUCVPPSL-UWJYYQICSA-N	411.571	5.111	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C#N)c1ccc(Br)cc1F	579520620	IYEXGUCRMKCJGJ-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)C2(c3ccccc3)CC2)nnc1-c1ccccc1F	580237214	GHGQCDKZVAGDRK-INIZCTEOSA-N	407.514	5.052	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)Cc2noc(C[C@H](CC#N)c3ccccc3)n2)cc1	589146525	FLHXUNKRHOZPLF-XLIONFOSSA-N	402.498	5.004	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)cs1	589437754	DXOGFIFPZUKVKA-HNNXBMFYSA-N	407.514	5.284	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc2ccccc2n1	591862283	NHOXVKBHQVSSMU-LJQANCHMSA-N	405.482	6.002	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)c2cccs2)CC1	592479238	RGBSLONFPIIHAR-JPYJTQIMSA-N	411.615	5.301	30	20	HKED	
O=C(CSCc1ccc(F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	603573277	ZRQUELUVSUDBJL-RYUDHWBXSA-N	417.390	5.085	30	20	HKED	
Cc1nc2ccccc2cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604003998	UYMAUKIRPVMHKI-UHFFFAOYSA-N	407.473	5.441	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC[C@@H](COCc2ccccc2)C1	608273013	AQZNKEFAXYXOKU-JOCHJYFZSA-N	416.546	5.219	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)o2)cc1	609054795	JZBUWOZCZCJLQU-QFIPXVFZSA-N	406.869	5.265	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	609438950	PIZRHFOTVKYXHO-FXAWDEMLSA-N	409.555	5.849	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2c(F)cccc2N2CCCC2)c1	609443705	BRXNRSPSLXGJEH-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1	609991851	XJZIOOXJACMAPL-HXUWFJFHSA-N	424.548	5.257	30	20	HKED	
Cc1ccc([C@H](C)CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	610016500	CUXHBLFEHHSBJO-GOSISDBHSA-N	412.493	5.044	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl	610146312	MYODOWOJWULEQA-JOCHJYFZSA-N	424.331	5.796	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc2ccccc2n1	613292700	PRAVGHIWSHGSPM-MRXNPFEDSA-N	424.357	5.068	30	20	HKED	
C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	619755442	JOSFWEINGQUXQK-KXBFYZLASA-N	402.897	5.149	30	20	HKED	
C=C(C)[C@H](CO)Sc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1CC	677131197	NCDXFJGTCNZKKQ-QFIPXVFZSA-N	416.550	5.209	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1	677601696	UCTJACQTXWCDBY-AWEZNQCLSA-N	402.416	5.352	30	20	HKED	
C=CCN(C(=O)c1coc(C2CC2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	681592004	BDYLNHXPPMXULV-UHFFFAOYSA-N	420.321	5.815	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	682115608	ZLBVCXWNXOSZFV-VPOLOUISSA-N	416.328	5.172	30	20	HKED	
CC(C)(C)c1nc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1	726858347	IRPZODYITJOKHE-OAHLLOKOSA-N	415.971	5.636	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)cc1	726875102	NUPHWSGEPLPMMV-QXMHVHEDSA-N	401.491	5.019	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](OC3CCCC3)c3ccccc3)n2)cc1	727039782	ZGTUXPNJAUTOSY-ZJSXRUAMSA-N	416.546	5.995	30	20	HKED	
Cc1ccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	728052381	CPFNWPYSWKRCPM-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)c3ccccc3OC)n2)cc1	728769327	FHUJLQLPFDUOGS-HNAYVOBHSA-N	406.507	5.197	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Oc3ccc(Cl)cc3C2=O)cs1	729149162	CHKIUZBAJLBPCJ-GIJQJNRQSA-N	414.845	5.236	30	20	HKED	
C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	732016492	BADSOELAAQKXQT-HHJKRLRDSA-N	412.489	5.341	30	20	HKED	
N#CCOc1ccc(COC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)cc1	733490424	FXVGTBQWLWTZOM-UHFFFAOYSA-N	421.880	5.107	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1	733637254	IJFBHBGCSIFAHG-UHFFFAOYSA-N	418.453	5.311	30	20	HKED	
C=CC[C@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccncc1	734460904	SMVCWBVSTPHQLF-QHCPKHFHSA-N	406.913	5.290	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3cc(-c4ccccc4)on3)c2)cc1	736004170	OIKNNGJWMGWURC-UHFFFAOYSA-N	423.472	5.168	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)c1ccncc1	741216368	SWQHKGIYTKDPAL-NRFANRHFSA-N	400.482	5.081	30	20	HKED	
O=C(/C=C\c1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741851980	HDVOQRKEUJIYIS-HJWRWDBZSA-N	423.239	5.226	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1	741919246	MBAAMWCEZFLKIN-UHFFFAOYSA-N	418.321	5.496	30	20	HKED	
CCN(Cc1ccccc1NC(=O)N[C@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C	743169937	DQEKGDFXSBKYDE-QGZVFWFLSA-N	422.529	5.198	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)o1	743280640	SWDFGLRRQMNLLZ-XDHOZWIPSA-N	404.472	5.349	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CCOc3ccccc3)n2)cc1	745949489	NYODZEHHVYAEGZ-JXFKEZNVSA-N	406.507	5.100	30	20	HKED	
O=C(/C=C\c1cccc(OCc2ccccc2F)c1)c1ccc(N2CCOC2=O)cc1	748584404	PSSUAMKOXQYZTK-JYRVWZFOSA-N	417.436	5.257	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCC(C)(C)c1ccccc1	754532133	QZXDCESOVZIBCC-KRWDZBQOSA-N	412.917	5.062	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cccc(COc3ccccc3)c2)c1-c1ccccc1	758119407	OYNSNBUBBJTDHE-UHFFFAOYSA-N	422.488	5.295	30	20	HKED	
N#CCOc1cccc(CC(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)c1	760539414	ZATAHZFYZFELFD-DEOSSOPVSA-N	416.908	5.111	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)n1	762076685	LTGZAVDRLWLHBQ-OXQOHEQNSA-N	402.519	5.477	30	20	HKED	
CCCN(Cc1ccc(N(C)CCC#N)cc1)Cc1nnc(-c2ccccc2Cl)o1	768182052	DEOIXXFEYSHILI-UHFFFAOYSA-N	423.948	5.152	30	20	HKED	
Cc1ccc(C)c([C@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2ccccc2)c1	779159439	KATKEOFZBCSJQV-HHHXNRCGSA-N	411.549	5.338	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(OC)c(C(C)C)c(OC)c2)cc1	781447185	DIUQYNKBFKJZLR-JXFKEZNVSA-N	422.525	5.302	30	20	HKED	
O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(NC(=O)c2cccs2)c1	790250194	RUNXHODHCFKQNH-UHFFFAOYSA-N	414.408	5.009	30	20	HKED	
N#C[C@H](C(=O)C12CC(c3ccccc3)(C1)C2)c1nc(-c2ccc(Cl)cc2)cs1	791772639	DWBASGRPDOOZJR-WDGBRCNXSA-N	404.922	5.762	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nccc2ccccc12	792104921	SIQOIRBMGXGRJF-XMMPIXPASA-N	404.469	5.741	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C/c2csc(-c3ccc(F)cc3)n2)C(=O)c2ccccc21	802708824	WTUXNISBYIZEDQ-UMDONVSZSA-N	407.466	5.266	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](c1ccccc1)N(C)C	806201303	WKHBWIIGARRDGK-QTLGCAHFSA-N	412.537	5.155	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccnc(O)c1	806556183	PEBDUURZCOLCCX-XBXARRHUSA-N	400.261	5.569	30	20	HKED	
N#CCCC[C@@H](NCc1nnc(-c2ccc(Br)s2)o1)c1ccccc1	814659843	QCWRXHRGSOBIQX-CQSZACIVSA-N	417.332	5.085	30	20	HKED	
C[C@H](N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1	816566739	DWOJIEUOQJPXES-ROUUACIJSA-N	405.542	5.131	30	20	HKED	
COc1cccc(-c2nc(/C=C3\CC/C(=C/c4cccc([N+](=O)[O-])c4)C3=O)cs2)c1	818245387	JHBMLZBVDAUNAR-OGLSOCIUSA-N	418.474	5.557	30	20	HKED	
CCOC(=O)Nc1ccc(NCc2cc(Cl)cc(Br)c2)cc1C#N	864020353	TWHVLZFTAVFCPR-UHFFFAOYSA-N	408.683	5.155	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCSc2ccc(F)cc2)cc1	915351705	BLHNJHZTPRMTDE-QHCPKHFHSA-N	419.525	5.785	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353943	ZVSOEJZSJXERLO-HXUWFJFHSA-N	424.331	6.313	30	20	HKED	
CCOc1cc(/C=C2/CSc3ccc(F)cc3C2=O)cc(Br)c1O	916128709	XXZDYQRJNANEBQ-WZUFQYTHSA-N	409.276	5.065	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)s2)o1	916917666	FUYBCFJKMFNJOH-KRWDZBQOSA-N	415.474	5.134	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Br)c1OC(F)F	917143051	VGPXNHHBNTZTSH-GORDUTHDSA-N	419.168	5.233	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl	917427118	SIJZKXNPQQLSDK-SFHVURJKSA-N	411.288	5.427	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3c(F)c(F)c(F)c(F)c3F)c2)c1	917811338	QCHWPZMDYLSIAD-UHFFFAOYSA-N	404.338	5.445	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	918713495	MFVJFZMRVRBQAZ-KTKRTIGZSA-N	416.424	5.683	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3ccc(C)cc3C)n2)cc1	920139372	SKSJCCUXKFSJHR-LJQANCHMSA-N	406.507	5.081	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2nc(O)oc2c1	1667788044	ODLRSYACCYKCBP-QRWLVFNGSA-N	412.449	5.072	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)n(C)c3C)CCC2)cc1	1786102918	FVLWTYCDJHFGPT-UHFFFAOYSA-N	419.569	5.158	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1	7743998	ZHNVCYCIMWBLSA-ACCUITESSA-N	401.462	5.129	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1cccc(C)c1	10174286	NBBMNXZUXATVPL-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1	11162090	GOJUFNKTRFUZLA-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	21419285	RDFJSCGGFUWPJY-UHFFFAOYSA-N	417.248	5.067	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1F	26195224	STFKSYJOUWKOET-OAHLLOKOSA-N	406.482	5.348	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)cc1	41552097	UQQZCDADDHTVEE-OAHLLOKOSA-N	417.412	5.113	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(Cl)c2)cc1	48161404	KEWYXKALYQOEAG-UHFFFAOYSA-N	405.885	5.307	30	20	HKED	
COc1ccc(CCCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	61163177	FBFYYKFEARKYLB-UHFFFAOYSA-N	414.505	5.302	30	20	HKED	
N#CCc1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1	97364766	IOZJKVOQKYPLKQ-UHFFFAOYSA-N	412.518	5.489	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2cccc(Oc3ccccc3)c2)ccc1OC	236896923	CUXQGKUFGZTKRH-OAQYLSRUSA-N	402.494	5.458	30	20	HKED	
N#CCCN(C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1	301581761	PKJSCPBYDSJXSA-UHFFFAOYSA-N	416.321	5.050	30	20	HKED	
C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(CNc2ncc(C#N)cc2Cl)cc1	302167683	PGJPOUHWPQLUTF-CYBMUJFWSA-N	423.307	5.312	30	20	HKED	
O=C(c1ccc(SC(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303702713	RXVHTVNUYUIGNO-UHFFFAOYSA-N	411.289	5.255	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)cc1	428317016	VLTYRPZTFJMRLN-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ncc[nH]3)CC2)cc1Cl	429105622	SEASEAIJWRPYBA-FQEVSTJZSA-N	419.916	5.130	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	431309705	PUNBNKORSFTEKA-JBACZVJFSA-N	415.459	5.686	30	20	HKED	
CCC(CC)n1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)n1	431929443	YPTPVLDKUPIXTG-UHFFFAOYSA-N	410.465	5.521	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1NC(=O)c1ccco1	432756627	ZINAVYQMBSQMDW-NRFANRHFSA-N	416.481	5.397	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)Cc1cccs1	437963445	OMCGAIBPNIZDAK-QGZVFWFLSA-N	419.550	5.508	30	20	HKED	
CCOCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	438179093	ACJSSLGJRPAQGD-UHFFFAOYSA-N	417.465	5.540	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CCC(F)(F)F)c2)cc1	441096263	VRVQIRJIDZAPIT-UHFFFAOYSA-N	406.408	5.133	30	20	HKED	
Cn1ccnc1Sc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1	443901335	PWLOZZZANBHKJQ-UHFFFAOYSA-N	415.522	5.082	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c2ccccc21	444368347	LYELQDRRLWMGST-IBGZPJMESA-N	421.369	5.257	30	20	HKED	
C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC=C(COC)CC1	460949371	CDBMUAKOHNIAFD-UHFFFAOYSA-N	414.962	5.172	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)cc3c2OCC3)cc1	462438243	CLMNXOFNIMMAAS-UHFFFAOYSA-N	418.880	5.172	30	20	HKED	
CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	467455292	CBTDGAWKSVZCFP-IFMALSPDSA-N	423.582	5.584	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)c1cccc(F)c1	469097097	URXGWRQAJDETEA-KRWDZBQOSA-N	416.452	5.124	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)c1cccc(F)c1	469119541	VIXLIQHWOUALLQ-INIZCTEOSA-N	402.425	5.337	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2nnc(-c3ccccc3Cl)o2)cc1F	471634239	JAFKTSWOZWZKCX-UHFFFAOYSA-N	420.831	5.805	30	20	HKED	
Cc1cc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(C(F)(F)F)o1	472033178	LOMXXALDYJBBBX-LLVKDONJSA-N	417.252	5.242	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	474437961	HUBFXFOTGDJLHB-MRXNPFEDSA-N	411.552	5.654	30	20	HKED	
CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C[C@H](CC#N)c1ccccc1	477094050	ANIFBKGKNCLGFK-PKOBYXMFSA-N	411.343	5.200	30	20	HKED	
CC(C)(C)c1nn(Cc2nc(-c3ccccc3Cl)cs2)c(O)c1CCC#N	478945191	XSYMMFDWOXGLLT-UHFFFAOYSA-N	400.935	5.168	30	20	HKED	
O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N(Cc1ccccc1)CC(F)F	482435626	IHTHOYASQBSNQR-MRXNPFEDSA-N	408.317	5.045	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)nn1-c1ccc(Cl)cc1Cl	483205483	ZGJBVDRWSBFYTN-QGZVFWFLSA-N	421.287	5.526	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc(-c4ccc(F)cc4)no3)o2)cc1	489788062	GJSTXRWFXFGYIE-UHFFFAOYSA-N	409.442	5.388	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nnc(CCCc3ccccc3)o2)c1	491953600	HGWUWYGRLHDYQA-UHFFFAOYSA-N	414.328	5.171	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12	499625122	GQHUBBKNUFQLDG-UHFFFAOYSA-N	424.416	5.368	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2nc(-c3sccc3Br)cs2)cc1	500712014	ICUIGGJZNJCJOB-UHFFFAOYSA-N	418.341	5.077	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F	501089352	QCTWJAUUFCJCGO-JKSUJKDBSA-N	424.463	5.071	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	505449683	SJVWGULDESWSIJ-OAHLLOKOSA-N	418.305	5.371	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1OC(C)C	505683941	MARMKZQFGJLWFG-INIZCTEOSA-N	411.502	5.024	30	20	HKED	
N#C[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)cc1	505821459	OJPPCNXKXLDNHZ-OAHLLOKOSA-N	423.847	5.282	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(OC(F)F)c1	505901261	OUSIFFYKEUKPNX-OAHLLOKOSA-N	424.291	5.572	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	505965405	IVVUUAKALYBMJG-AWEZNQCLSA-N	423.460	5.055	30	20	HKED	
CC(=O)N(c1nc(CN2CCC(C)(C#N)CC2)cs1)c1c(C)cc(C)cc1Cl	506047170	IFWYIRBIAPCIND-UHFFFAOYSA-N	416.978	5.224	30	20	HKED	
COc1ccc([C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)cc1	506653196	LTOQMFKNPAYSFI-FQEVSTJZSA-N	413.477	5.381	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2ccsc2)C1	508792187	MVEPTTLMPMHFFX-KRWDZBQOSA-N	421.353	5.077	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	510003969	BVVKBEQMNBMWMI-QFIPXVFZSA-N	403.913	5.968	30	20	HKED	
COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	510556415	ZERKRPOAICRYDI-INIZCTEOSA-N	417.465	5.250	30	20	HKED	
Cc1cc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)s1	511308732	VLUNMRFLGMIULN-QGZVFWFLSA-N	419.550	5.893	30	20	HKED	
CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NCC(C)(C)CCC#N	513140331	DRPJGVZHCRMPJO-UHFFFAOYSA-N	421.463	5.827	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c2ccccc21	513532047	KFTFQYDMOHKCLE-LJQANCHMSA-N	403.448	5.140	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCOc1ccc(F)cc1	514495934	ZVCUNXXISFEAGN-UHFFFAOYSA-N	406.432	5.147	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	517781161	IOAWHDBKECIIFE-UHFFFAOYSA-N	424.504	5.973	30	20	HKED	
CCOc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518148007	MLHGAKHYQMIJFK-UHFFFAOYSA-N	422.472	5.681	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cc2ccc(C#N)cc2F)C3)cc1	518810150	VTGQFISUMMVLMN-UHFFFAOYSA-N	414.484	5.208	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	520525891	AOZJZSCOTRPDQA-UHFFFAOYSA-N	410.905	5.188	30	20	HKED	
N#C[C@H](NC(=O)CCOc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1	520536337	BQUVLIOUFSAZIC-QFIPXVFZSA-N	420.896	5.069	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(-n2cccn2)cc1	520818841	GBGWZZGSKRIUCW-QGZVFWFLSA-N	422.579	5.138	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1cccc(Cl)c1	520821837	XWPAPHOWTRHQTK-HUUCEWRRSA-N	404.988	6.167	30	20	HKED	
Cc1nc(-c2ccc(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cs1	521729169	DUROAUQCSITFFL-OAHLLOKOSA-N	423.563	5.530	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1	522090054	NCPFRDNXZWGKGS-RDTXWAMCSA-N	424.957	5.897	30	20	HKED	
C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nc2ccccc21	522482426	KZVSIKJPEDKGPX-UHFFFAOYSA-N	417.321	5.871	30	20	HKED	
CC1(C)Cc2cc(C(=O)Nc3ncccc3OCCCC#N)sc2-c2ccccc21	524235041	HKHRGVKBIDMETC-UHFFFAOYSA-N	417.534	5.579	30	20	HKED	
COc1ccc([C@H]2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)cc1	524599424	IAOPQVNBUFXCLD-FQEVSTJZSA-N	413.477	5.381	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCC3)c1	525115251	KQTVLLOVLQLTDF-UHFFFAOYSA-N	415.946	5.389	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCCc1ccc(Cl)cc1	525399623	WLNUKTJEVRDMCC-INIZCTEOSA-N	419.015	6.039	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	533289235	AVBDKAJUOUXBCL-FXAWDEMLSA-N	411.571	5.396	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1F	534771210	GEGBFVARCHEQGT-UHFFFAOYSA-N	412.367	5.419	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccccn2)ccc1Cl	535854745	HVTYQCNMUDUWPF-NFBKMPQASA-N	401.897	5.314	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(F)cc2F)ccc1OCc1cccc(C#N)c1	537087041	YQOCUPHUKOTPLD-MRXNPFEDSA-N	408.448	5.275	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1C1CC1	543890581	WFTYUSLDGNKOES-ZDUSSCGKSA-N	423.908	5.086	30	20	HKED	
C[C@@H](N[C@H](C)c1cccc(N2CCOCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1	543961465	KZIZDJFZXBKNGK-NHCUHLMSSA-N	411.549	5.474	30	20	HKED	
O=C(NCCOc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1C(F)(F)F	556502813	JRUDBQNFIRZGOO-UHFFFAOYSA-N	410.289	5.064	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(OCc4ccncc4)cc3)c2)cc1	556992145	YQKACYQIAYQRCH-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
COc1cc(CNC2(c3nc(-c4ccccc4F)c(C)s3)CCC2)ccc1C#N	559358076	FXOHPCZUFJZGGA-UHFFFAOYSA-N	407.514	5.307	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1C1CCCCC1	562226958	LXHLMUGZZIHUFX-UHFFFAOYSA-N	401.470	5.008	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	571410972	MQNJWHDYFJKZDU-WOJBJXKFSA-N	405.464	5.191	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c12	587988789	QORYFIVMZWPDSI-IBGZPJMESA-N	422.419	5.376	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1	589727208	NKNHGZBYQKCAQY-LJQANCHMSA-N	407.297	5.164	30	20	HKED	
Cc1cccn2c(NC(=O)CSCc3ccc(C#N)cc3)c(-c3ccccc3)nc12	603732229	DDZMOLYNTYPZAN-UHFFFAOYSA-N	412.518	5.053	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(COc2ccccc2Cl)n1C1CC1	604045906	JGDVKFSICSASBY-KRWDZBQOSA-N	410.930	5.072	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3cn(Cc4ccccc4)c4ccccc34)[nH]c12	605363105	JFPOAGJGAXRYLG-FQEVSTJZSA-N	404.473	5.364	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	609020354	RFDUYWQRUKHFBZ-UHFFFAOYSA-N	416.437	5.129	30	20	HKED	
CSc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1	609028634	KMPKOFJAZXNCHW-JOCHJYFZSA-N	422.937	5.636	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)sc2c1	609149146	UXQDMGNUIRVFLT-UHFFFAOYSA-N	409.923	6.111	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCc2ccccc21	609381674	IECYZKFMMCNUAE-QGZVFWFLSA-N	404.457	5.770	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cccc(Oc4nccs4)c3)n2)cc1	609910474	LKIRIVSIHLIDEF-UHFFFAOYSA-N	404.476	5.183	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Nc1ccccc1SC[C@H](C)C#N	610142629	DYQJWPPKYOPJDH-MOPGFXCFSA-N	407.583	6.334	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1cn(C)nc1C	610730429	NTZPFESRGHCXBD-QHCPKHFHSA-N	415.497	5.070	30	20	HKED	
Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)C1	611093806	FQJQAWAKPDNWJO-ZDUSSCGKSA-N	422.743	5.083	30	20	HKED	
CCCc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n[nH]1	613346904	RQABRNMGGUJNSI-CYBMUJFWSA-N	405.310	5.283	30	20	HKED	
COc1cccc([C@H](NCc2ccc(C(C)(C)C#N)cc2)c2cc(F)ccc2OC)c1	614058647	KIPGJQQNHTYRLY-VWLOTQADSA-N	418.512	5.523	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(Br)cc1C(F)(F)F	618750018	QQOZFRWVPLXVFW-OAHLLOKOSA-N	424.220	5.149	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)c(C)c2)n1	618752522	CMDWKTYNGUZELW-FQEVSTJZSA-N	420.563	5.592	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	619429001	CLMRGIUEOFPNBP-UHFFFAOYSA-N	410.433	5.215	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1nc2ccccc2[nH]1	619752449	PHWSWZGLECUZIO-HXUWFJFHSA-N	421.435	5.045	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3[nH]c(-c4ccccc4)nc3C)n2)cc1	619753908	HIVKNCAYLZJRQB-GOSISDBHSA-N	414.490	5.007	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	621010720	IHVTUPVZXQYKBH-HZPDHXFCSA-N	422.413	5.336	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cncc(C(F)(F)F)c1	622284864	RTZQCHXEVRGQKA-UHFFFAOYSA-N	402.216	5.390	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNc1ccc(OC(F)F)cc1	726428800	FOLZJLCJEBGQFI-UHFFFAOYSA-N	411.239	5.535	30	20	HKED	
Cc1ccc(F)c(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)c1	726802083	SDGJKTFAGHAIIG-CPNJWEJPSA-N	412.511	5.223	30	20	HKED	
O=C1/C(=C\c2cccnc2Cl)CN(c2ccccc2)C/C1=C\c1cccnc1Cl	728697209	KPPUDVJJADVGQY-MGYAYREDSA-N	422.315	5.340	30	20	HKED	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(C)[C@H](C)CC#N)c1=S	728904216	MBDHTMFNXVBVOW-FPSMNIFISA-N	415.632	5.331	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N(CCC#N)c3ccc(F)cc3)cs2)cc1	732095398	SNRKYVAUTMNVCU-UHFFFAOYSA-N	407.514	5.562	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)ccc1Oc1cccnc1	732713568	CHJZTUBTPQGLEX-YWEYNIOJSA-N	418.468	5.054	30	20	HKED	
C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(NC(=O)c2ccncc2)cc1	733750236	QSXGYAWRJDGFGE-CJCQAYSXSA-N	414.292	5.526	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=S)Nc1ccc(OC(F)F)c(Cl)c1	735623487	ZBSARHVVPOOJNM-UHFFFAOYSA-N	412.889	5.335	30	20	HKED	
COc1ccc([C@@H](NC(=O)/C=C/c2ccccc2C#N)c2ccccc2Cl)cc1	739657313	OQWNRXSGHFIMRF-AIIPKAINSA-N	402.881	5.139	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3cccc(-c4ccncc4)c3)c(Cl)nc21	741467822	AJBQQCJHVWZZEY-VOTSOKGWSA-N	402.885	5.624	30	20	HKED	
Cc1ccc(-c2noc([C@H](C)ON=Cc3ccccc3Br)n2)cc1F	744443272	JFZNGMANERHDML-LBPRGKRZSA-N	404.239	5.058	30	20	HKED	
Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	746151763	BBJVRXAIWHTUDY-UHFFFAOYSA-N	421.762	5.572	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12	746588428	LRLZZBZJZKFZQU-OAHLLOKOSA-N	400.507	5.133	30	20	HKED	
CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	746660900	VJEDWGOWEXZLEI-IBGZPJMESA-N	424.331	6.313	30	20	HKED	
CC(C)n1cc(C(=O)/C=C\c2ccc(/C=C\C(=O)c3cnn(C(C)C)c3)cc2)cn1	746686726	JNSBSLXIUWBWSR-HWAYABPNSA-N	402.498	5.034	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCSc2ccccc2Br)n1	747193087	DWTGRWPZWJJCKG-LBPRGKRZSA-N	409.374	5.388	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H](CCC#N)c3ccccc3)cccc2c1=O	749165418	RSYFMIXZUAQPOL-QHCPKHFHSA-N	422.484	5.543	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(Sc2ccncc2)cc1	749527647	UVRCQUXFTCPKGR-QFIPXVFZSA-N	404.491	5.113	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1ccc(-c2ccc(C(=O)O)o2)cc1	753142066	NTFDZONCMVOAGV-HJWRWDBZSA-N	402.431	5.059	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NOc1ccccc1C(F)(F)F	754711846	CLUBAQYOTGFXLE-UHFFFAOYSA-N	407.823	5.633	30	20	HKED	
C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)c1	756588964	HKJFSJVIMUGWSZ-UHFFFAOYSA-N	409.942	5.489	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1	766427950	OBBXOXZEDDWRGJ-UNMCSNQZSA-N	407.558	5.278	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C(C)=C/c1c(Cl)cccc1Cl	766843612	YOXPPIQTROIMEX-FQNOHDAGSA-N	417.292	5.143	30	20	HKED	
C#CCC(C)(C)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	767077278	DDJLLJSVFOTNKL-UHFFFAOYSA-N	402.416	5.254	30	20	HKED	
CN(C(=O)c1ccccc1C(=O)OCc1ccccc1C(C)(C)C#N)c1ccccc1	767976868	SKIKGRMCUVSMDW-UHFFFAOYSA-N	412.489	5.121	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1cnc(-c2ccccc2Cl)s1	774313982	WVHYMYBYSKVHCF-CYBMUJFWSA-N	404.825	5.033	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSc1ccc(C#N)cc1	777822107	CKJXAZNTARUZBS-SFHVURJKSA-N	402.519	5.146	30	20	HKED	
C[C@@H](N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(OCC#N)cc1	779082802	RDDOMFLTNBXOSM-UZUQRXQVSA-N	421.541	5.664	30	20	HKED	
Cc1cccc2cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)oc12	787049397	GOVYWVYEXCHUAP-BLLLJJGKSA-N	415.276	5.248	30	20	HKED	
C#C[C@@H](CCC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	791742943	XZMSGBZPFLINJD-QQQXLFEASA-N	409.414	5.027	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cn1	792883188	KMIGBSGYTSQVQA-YBEGLDIGSA-N	424.472	5.679	30	20	HKED	
Cc1ccc(-c2ncc(/C=C/C(=O)c3nc(Br)ccc3F)s2)cc1	794971743	PVYPXNLGDVQZFH-SOFGYWHQSA-N	403.276	5.311	30	20	HKED	
Cc1nsc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1C#N	798240500	ILWKGOWFCDYXNR-UHFFFAOYSA-N	404.882	5.444	30	20	HKED	
COc1ccccc1CON=Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	799117226	GYGULOGVNWIHJB-UHFFFAOYSA-N	409.511	5.004	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(-c3nc4ccccc4s3)s2)CCOCC1	800082200	KOAAWTSBKJVUQF-UHFFFAOYSA-N	412.536	5.282	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1	800786710	IQJYHLLOSIPZAI-UHFFFAOYSA-N	418.932	5.045	30	20	HKED	
C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1csc2ccccc12	805081121	SZRAMYYJOXQENP-HNNXBMFYSA-N	423.513	5.226	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)CCO2	834874106	GBQMVTHBBYWSQC-NTMALXAHSA-N	403.865	5.423	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1	915351473	CTKZWCJGCQIQMD-SANMLTNESA-N	421.500	6.169	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1	917026745	NXFRQIZAXOOVRR-HXUWFJFHSA-N	416.546	5.965	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(C#N)c2)cs1	917559900	DUWBXPOSLQHHAN-JXMROGBWSA-N	407.882	5.249	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1oc2c(C)ccc(C)c2c1C	920109885	VCLJEJYIJFNELG-IBGZPJMESA-N	402.494	5.444	30	20	HKED	
N#C[C@H](COC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)Cc1ccc(F)cc1	920876900	RPKJKOSNCRSVCD-MISYRCLQSA-N	420.509	5.411	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OCC(F)(F)F)cc2)ccc1OC(F)F	921261116	IPYFKHKAJDRNEV-YWEYNIOJSA-N	402.315	5.134	30	20	HKED	
CCC1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1	1694486753	ROUYOEPXYIPSIX-DEOSSOPVSA-N	421.589	5.000	30	20	HKED	
CC1(C)CCC(CC(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)CC1	1785935954	DICAEUYHRDWNDF-UHFFFAOYSA-N	409.574	5.277	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@]3(F)Cl)cc2)CCC1	1791672775	YANYWEIXSWNWLD-JTSKRJEESA-N	406.929	5.037	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1814827570	ZASFOZHBBKHWSF-NRFANRHFSA-N	412.578	5.141	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccccc1C	11167841	ZHOLITAEINCOCJ-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
N#Cc1ccccc1CSCCNC(=S)Nc1ccc(SC(F)F)cc1	18163394	OAHKXWLOCRCHEU-UHFFFAOYSA-N	409.552	5.093	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1noc(-c2ccc(Cl)cc2)n1	30969682	FHDFDCFTUKYUMB-UHFFFAOYSA-N	423.929	5.051	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	65808802	TZVBOLIXBSFVLP-UHFFFAOYSA-N	415.493	5.168	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1	71975198	MZACODMBFMBDHN-UHFFFAOYSA-N	419.531	5.960	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCc2ccc(-c3ccccc3F)o2)cc1	111020703	IECJDKRJBXCPIG-UHFFFAOYSA-N	406.457	5.364	30	20	HKED	
CCn1cc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc21	303023106	MGOPCXMKHAWNJJ-UHFFFAOYSA-N	409.489	5.293	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3cc4c(s3)-c3ccccc3CC4)CC2)c1	303291885	XDUYGMRTDXVACP-UHFFFAOYSA-N	414.530	5.069	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(N2CCCCC2)cc1	303374899	UIQFXXZFNYFNLA-SFHVURJKSA-N	408.571	5.122	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	409540978	LYNOALJTVHGMNM-FYYLOGMGSA-N	414.461	5.110	30	20	HKED	
CN(C(=O)NCC1(CC#N)CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	431206384	KBFHIFZWQZJZSS-UHFFFAOYSA-N	402.325	5.418	30	20	HKED	
Cc1sc2nc(CN3CCCC3)nc(N[C@@H](CCCC#N)c3ccccc3)c2c1C	431488561	DONLYQGTIYEJGU-FQEVSTJZSA-N	419.598	5.751	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2cccc(Cl)c2)CC1	432078403	LKRAVTIAJGTFFS-MRXNPFEDSA-N	413.974	6.146	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1	432961285	NVVDJVDAKLCUMS-OAQYLSRUSA-N	420.900	6.084	30	20	HKED	
C[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1	436050649	OBHXUECFMPHDIQ-BSFYPJFYSA-N	400.444	5.771	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	438056797	SCNVVAYKZCHTHM-LAUBAEHRSA-N	413.562	5.951	30	20	HKED	
N#Cc1ccccc1SCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	439720209	PJROWZKCMUFXJX-OAQYLSRUSA-N	411.530	5.080	30	20	HKED	
Cc1ccc(NCc2ccc(F)c(C#N)c2)cc1Oc1ncccc1Br	447888867	FNOFHJSLFXPXRI-UHFFFAOYSA-N	412.262	5.568	30	20	HKED	
C=CCc1cc(CN[C@H](c2ccccc2Cl)c2ccccc2OC)cc(OC)c1O	462726009	FPQTVZMHMGPMKK-XMMPIXPASA-N	423.940	5.671	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)c1ccc(Br)s1	463748264	JUSDILGTDXHNFY-NEPJUHHUSA-N	409.374	5.647	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC(=Cc4ccccc4F)CC3)o2)cc1	465083475	KHNPZKALZGYWIB-UHFFFAOYSA-N	416.452	5.189	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1	467161030	UXLMAXQFERGECL-SFHVURJKSA-N	423.513	5.030	30	20	HKED	
Cc1cccnc1[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1	467388909	IVRQCTCLDRXFAG-LEWJYISDSA-N	402.542	5.111	30	20	HKED	
N#C[C@@H]1N(C(=O)c2sc3cc(Cl)ccc3c2Cl)CCC[C@@]12CCCCO2	468647241	DBPWVOJVICNZFU-KXBFYZLASA-N	409.338	5.276	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc(-c2cccc(C#N)c2)no1	469325241	GCAFWMFDNCTKIC-CQSZACIVSA-N	414.490	5.136	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1	472852973	RSORSLNQDYZEKN-UHFFFAOYSA-N	414.918	5.549	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1	473901423	LBKMAJJFYQMLDO-SNVBAGLBSA-N	400.319	5.201	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(F)c(F)c1	475669381	ROTRXIAWDQMFPT-HXUWFJFHSA-N	400.450	5.048	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1	476128445	CITFMHHAIAUMSZ-UHFFFAOYSA-N	416.525	5.016	30	20	HKED	
Cc1nc([C@H](C)N2CCN(c3ccccc3C#N)CC2)oc1-c1ccc(Cl)cc1	477140326	IZXDBVUNSKFSLP-KRWDZBQOSA-N	406.917	5.058	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1)c1ccc(F)c(F)c1	480799645	LPJQHYXFLJQUIK-IBGZPJMESA-N	421.875	5.197	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1)c1ccc(F)c(F)c1	483294267	IIZLWHURJWVBMV-XPWALMASSA-N	422.479	5.007	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3cccc(C#N)c3F)CC2)n1	485134402	NMOCWHKYYBIKJO-UHFFFAOYSA-N	407.514	5.209	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1	489090410	JRIMJGXRKDRLSN-NRFANRHFSA-N	400.950	6.043	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CSCc3ccc(C#N)cc3)s2)cc1	502504919	AOAMAEDSNBEPHC-MRXNPFEDSA-N	421.591	5.409	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1nc(-c2ccccc2)cs1	504035925	LMRXPUUFQGHHAT-GFCCVEGCSA-N	414.437	5.166	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	505023153	JYMWJZKTVIUOQH-FQEVSTJZSA-N	404.432	5.429	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCCOc1ccccc1)C1CCOCC1	505025030	YFJPIKIDGFYBPT-UHFFFAOYSA-N	408.542	5.287	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(Cl)cn1	507204014	USOINUOTUXRJKI-OAHLLOKOSA-N	407.926	5.390	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(CSc4ccccn4)c3)CC2)c1	509530033	XFDMLIIJTKIYGJ-UHFFFAOYSA-N	403.482	5.055	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)c1ccccc1	510966919	JTGGWTOGLWJOCB-DEOSSOPVSA-N	401.485	5.583	30	20	HKED	
C=C(C)CN(CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccc(CO)o1	512183253	GGGTUBOHCFYUEJ-UHFFFAOYSA-N	400.522	5.050	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1	512681367	VMAWQVUMMSVJFH-UHFFFAOYSA-N	420.516	5.846	30	20	HKED	
N#Cc1c(SCc2noc(-c3ccccc3)n2)nc2c(c1-c1ccco1)CCC2	514706116	CELSEBCXGDOITB-UHFFFAOYSA-N	400.463	5.044	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccnc(Oc2ccc(OCC)cc2)c1	515790661	PSXMVTDGAXQLHT-UHFFFAOYSA-N	417.509	5.170	30	20	HKED	
C[C@H](Cc1ccsc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	517312788	JPUUEWJIIQBRQA-QRWLVFNGSA-N	409.942	5.810	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CCc2ccc(O)cc2)CC1	517473500	PDEGHHCVKGYPPN-GOSISDBHSA-N	423.582	5.521	30	20	HKED	
C=CCOc1ccccc1CNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl	518450788	VLILWJSSHYYSCX-UHFFFAOYSA-N	409.961	5.813	30	20	HKED	
C[C@H](Sc1ccccc1Cl)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	518922418	PJWYVRIYFUJFDD-ZLPCBKJTSA-N	414.958	5.199	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519052753	FBPHEVNUOOIREB-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	519433172	VGNPMWFURYFKJT-OWCLPIDISA-N	401.963	5.270	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(C)Cc3ccc(C#N)cc3)c(C)c2)n1	521305877	BFVNXWRNSWRMGX-UHFFFAOYSA-N	408.552	5.447	30	20	HKED	
N#CCCCCNC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	522720808	KUIUBAIVDNEYQZ-UHFFFAOYSA-N	405.285	5.061	30	20	HKED	
C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	523987451	AXYUBQSREQIOFA-CQSZACIVSA-N	405.420	5.352	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)o2)cc1	524382649	NNZKLKTYGIKPQU-IBGZPJMESA-N	414.383	5.154	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3ccc(OC)cc3c2C)cc1	525144031	SCMLBXRTFRPVEM-UHFFFAOYSA-N	420.534	5.285	30	20	HKED	
Cc1ccc(Nc2nnc(Sc3c(C#N)nnc4ccccc34)s2)cc1Cl	525358727	GWVOQULASCMFCF-UHFFFAOYSA-N	410.915	5.210	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	533505019	SRTKYDCBDFJSQC-AREMUKBSSA-N	409.489	5.190	30	20	HKED	
C=CC[C@@H](CO)CNC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	537115579	HSOJEBOHTKUIQZ-QGZVFWFLSA-N	424.520	5.038	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCOc2c(Cl)cccc21	539461880	UEXPVMGSHHHJNT-PBHICJAKSA-N	415.946	5.770	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(C2(C#N)CC2)cc1	539637459	VUZYNCZCNWNKFS-UHFFFAOYSA-N	409.464	5.408	30	20	HKED	
CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C(F)F	543894414	WUAYODCSSQXHIW-MRXNPFEDSA-N	422.479	5.506	30	20	HKED	
N#Cc1ccc(CSCc2nc(Cc3csc(-c4ccccc4)n3)no2)cc1	544922825	ANNDYITWHCCNTM-UHFFFAOYSA-N	404.520	5.089	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2c(Cl)cccc2N2CCOCC2)cc1	549803790	LIUBAFZWNVHDGT-UHFFFAOYSA-N	417.940	5.005	30	20	HKED	
CSCC[C@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	554837031	KWASZHBQGGEWPY-HNAYVOBHSA-N	401.963	5.601	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)s1	556940396	XZVQAOLDPQNTSG-HXUWFJFHSA-N	411.530	6.146	30	20	HKED	
COc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)c(OC2CCCC2)c1	564411218	MTQJLFLKAFXROI-UHFFFAOYSA-N	404.432	5.197	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(F)cc1N1CCCCC1	569861873	VGFLCFSUAWSYIS-GCJKJVERSA-N	424.495	5.259	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](C2CC2)C(F)(F)F)cc1Cl	574237139	KMRDCCHEBHAJDA-FUHWJXTLSA-N	407.823	5.458	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncc(C(C)C)n1C(C)C	574388759	MPGQMVFLSABAOT-QGZVFWFLSA-N	414.575	5.023	30	20	HKED	
C=CCN(C(=O)Cc1cccnc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	574837765	YMNMNXVYFGMZIS-UHFFFAOYSA-N	418.349	5.582	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1)c1ccccc1	580360140	KBJCOPFIJFUDEH-ROUUACIJSA-N	420.479	5.035	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1ccc(F)cc1F	584071871	GDQSBKFSZTWCGZ-UHFFFAOYSA-N	421.447	5.088	30	20	HKED	
N#Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)nc2ccccc12	589043009	CWIGCUIRAGLRTE-UHFFFAOYSA-N	418.478	5.302	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2cccc(F)c2)C1	589532488	DSZVIJQKTSVNJV-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1	591776578	JMWPIDZXQXNIGT-HSZRJFAPSA-N	418.562	5.133	30	20	HKED	
N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3Cl)o2)c2ccccc21	594365407	RXCGMNXJUCBUMU-UHFFFAOYSA-N	422.897	5.233	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3occc3COc3ccccc3)cn2)c1	603623641	KMXSMOABSGUKLO-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1OC(F)F	603689424	LHKREETWIZUSEB-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1Cl	603758892	MWVJYHHGZDXIBP-FQEVSTJZSA-N	418.880	5.409	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603829401	WRDMNEKOCHHKHE-OAHLLOKOSA-N	406.873	5.624	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(F)c1	605479830	WTGSTDGFKGVUNY-UHFFFAOYSA-N	411.273	5.047	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccncc1	607757676	USUYXYLDUAOYEW-NRFANRHFSA-N	402.498	5.547	30	20	HKED	
CNc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-]	609164189	IHUUTNKBEYBCCC-GOSISDBHSA-N	420.856	5.198	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2cccnc2)cc1	609377532	WTVHTHOWQBRMCD-QGZVFWFLSA-N	403.507	5.165	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1	609651961	PTONEUUDSUCXGH-UHFFFAOYSA-N	400.453	5.048	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3csc(Nc4ccccn4)n3)cc2)c1	609881867	SCKYNFGWJSJWJN-UHFFFAOYSA-N	413.462	5.198	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1	612369288	REKZRZRWCXTTME-NRFANRHFSA-N	416.308	5.012	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	612805682	MCKVWYJZAGASAC-QWRGUYRKSA-N	418.328	5.016	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cs1	614424884	JVUUURWDBDVGMP-UHFFFAOYSA-N	421.566	5.143	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NCc3ccc(C#N)c(Cl)c3)cc2)cs1	619754168	LCUGKWSVBINOFP-CYBMUJFWSA-N	410.930	5.204	30	20	HKED	
Cc1occc1-c1nnc(S[C@H](C#N)c2ccc(Cl)cc2)n1Cc1ccccc1	619864195	ZYXRKMAZARNAMP-HXUWFJFHSA-N	420.925	5.905	30	20	HKED	
N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1nc2ccccc2o1	642281646	YCBMKTWVMUKGSW-FQEVSTJZSA-N	418.456	5.230	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	673811392	AGPBCNXZXIPELX-GOSISDBHSA-N	409.283	5.275	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(COC(C)(C)C)cc2)cc1	674560790	HNNISYIYGDVCRW-UHFFFAOYSA-N	421.541	5.460	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CCC(C(F)(F)F)CC1	683441262	WNVJUIQSMQOPEK-UIXRGBAFSA-N	413.324	5.381	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)ccc2F)[n+]2ccc(CC)cc2)c1	726572981	TXUMAVLXBBPXEU-UHFFFAOYSA-O	421.492	5.119	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3ccc(-n4cncn4)c(F)c3)s2)cc1	727654120	HRBJETVZSYADNT-UXBLZVDNSA-N	404.470	5.043	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)cc1	727934368	XGFQNGKMVUKRKG-UHFFFAOYSA-N	423.925	5.715	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1csc(-c2cccs2)n1)C(=O)c1ccccc1	728439058	DGDICYLQKIFJSN-LDADJPATSA-N	417.515	5.172	30	20	HKED	
C#Cc1cccc(N(C)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1	728481415	DZBVDPSGOBLCCP-OAHLLOKOSA-N	410.926	5.261	30	20	HKED	
Cc1ccccc1-c1cccc(C=Nn2cnc3ccc(Br)cc3c2=O)c1	729635218	ILVMFBJESTXNDX-UHFFFAOYSA-N	418.294	5.017	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc2cc(F)ccc2s1	730695787	MOPLEXQRPHEHAV-BFHYXJOUSA-N	405.281	5.722	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	730919976	IBWUBKHJDHZZOL-QYZOEREBSA-N	423.299	5.598	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c(F)c2)c(F)c1	730936938	RMUAAQMGUVXKLQ-UHFFFAOYSA-N	409.436	5.321	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)cc2)nc1	732967383	AEKKHIFXJRVZDX-NRFANRHFSA-N	405.404	5.001	30	20	HKED	
C#CCOc1ccccc1CNC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1	734171261	GXDKYHDKYPLMCI-IBGZPJMESA-N	404.535	5.233	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1ccncc1	734455583	IJZMECJWZKHLSR-HSZRJFAPSA-N	412.468	5.121	30	20	HKED	
CC[C@@H](C)n1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccccc1	735233351	SMNGCLVNUZRMJN-OAHLLOKOSA-N	412.946	5.764	30	20	HKED	
C[C@@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)cc1	735320587	ZAUJMZUWIIWQPP-CYBMUJFWSA-N	409.338	5.006	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3cnc(C(C)(C)C)s3)cc2c1C	736434449	SQMLDJBUXBFRCT-VOTSOKGWSA-N	400.525	5.041	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3Oc3cccnc3)c2)s1	739596202	UKOQZHRGULRCSE-UHFFFAOYSA-N	411.486	5.404	30	20	HKED	
COC(=O)[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)c1ccc(C#N)cc1	741737210	SINYSMVLQPUVHI-IBGZPJMESA-N	417.515	5.236	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)s1	744115356	HXBOJHYRJZEALW-SCZZXKLOSA-N	409.305	5.239	30	20	HKED	
Cc1ccc(-c2cnc(COC(=O)c3occc3COc3cccc(C#N)c3)o2)cc1	744926656	KSWOWUTWSMVINP-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)o2)c1	745352315	OHKGPBPXYXBPMZ-HSZRJFAPSA-N	423.472	5.068	30	20	HKED	
N#Cc1csc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1	748662530	SVUUGNGVQUAFDN-NSIKDUERSA-N	410.467	5.040	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(-c3ccsc3)n2)cc1Cn1cccn1	749895112	YNTHCVLOPRLXDB-SNAWJCMRSA-N	407.520	5.021	30	20	HKED	
Cn1c(CC(=NOCc2nc(C(C)(C)C)cs2)c2ccccc2)nc2ccccc21	755945932	WXLIONXMSKPAHT-UHFFFAOYSA-N	418.566	5.491	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)c1ccc2ccccc2n1	756520332	XGHUFNOTCXFTPH-SFHVURJKSA-N	401.466	5.001	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2C(C)(C)C)cc1NC(C)=O	758433752	IVKJMHZFHQBHKO-ACCUITESSA-N	417.509	5.033	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cc2c(cc1NC(=O)OC(C)(C)C)OCO2)c1ccccc1	759291948	XXPRGPIYJKNFML-HNNXBMFYSA-N	410.470	5.061	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	761873899	QEHBOPHSMIRYAR-QFIPXVFZSA-N	409.555	5.114	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl	764054075	PGAJGOJMIGOLBZ-GGAORHGYSA-N	419.912	5.505	30	20	HKED	
COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1F	765616566	LCNMKRWFUZQDAP-UXBLZVDNSA-N	414.433	5.011	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)c2ccccc21	769546590	NJIFTTFCBRIPQY-UHFFFAOYSA-N	420.856	5.005	30	20	HKED	
C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nc2ccccc2n1C(F)F	769547544	VRZYOFUKYRHSAO-HNNXBMFYSA-N	422.435	5.608	30	20	HKED	
N#CC1(COC(=O)c2c(-c3ccccc3)csc2NC(=O)c2cccs2)CC1	775829256	XCDJWIRHMIXBNW-UHFFFAOYSA-N	408.504	5.189	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1F	776727379	XNTLJYWKURETNK-DHZHZOJOSA-N	404.828	5.499	30	20	HKED	
CC(=O)Nc1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	779595213	FLKYHCDKNMRVAB-UHFFFAOYSA-N	405.885	5.361	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1	780579325	WSBWYLHWVYRWPL-MSOLQXFVSA-N	401.466	5.761	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1	780668420	VZZWYPSFHMQFRW-CQSZACIVSA-N	405.420	5.096	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1	780673670	YPNNLFAHXMBSKZ-KDOFPFPSSA-N	414.303	5.109	30	20	HKED	
Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	780676810	FPXGYXBQDZYRMA-MRXNPFEDSA-N	400.482	5.088	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2nc(C3CC3)cs2)cc1C	781188005	FKGPDUGNIHJCRF-MRXNPFEDSA-N	420.538	5.333	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782205347	OPRZAXJVVGTCBZ-MRXNPFEDSA-N	414.534	5.231	30	20	HKED	
CC(C)Sc1cccc(Cl)c1C=NNc1c(F)cc(C(=O)NC2CC2)cc1F	786038219	SDBXRQQYQKABTB-UHFFFAOYSA-N	423.916	5.457	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1)c1ccccc1	788352936	WOSXYDXIWQLCHI-JXFKEZNVSA-N	418.880	5.441	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	789334966	BYCAYJNFWMTIEH-SFHVURJKSA-N	406.507	5.315	30	20	HKED	
C[C@@]12CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C[C@H]1C2(Cl)Cl	791198142	YLHHLIFYMMVGKO-UYAOXDASSA-N	401.293	5.006	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccc(Br)cc1	797566262	DLSOARIYGFGQAO-DOMZBBRYSA-N	405.361	5.573	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)Nc1ccccc1O[C@H](C)C#N	810306238	DGNXKQMAJVEXHT-GFCCVEGCSA-N	420.332	5.496	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)cc(Cl)c1F	864010022	HLVNKXINTSZLRR-CYBMUJFWSA-N	420.315	5.889	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[nH]c2c1C(=O)CC(C)(C)C2	915085725	FAUGSTOFELWPMB-FQEVSTJZSA-N	411.505	5.386	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1	915086238	IRCBKQGYGVTCDF-NRFANRHFSA-N	412.449	5.077	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc(-c2ccccc2)s1	916932515	XCVVUQWWHSCAOC-CYBMUJFWSA-N	416.289	5.078	30	20	HKED	
Cn1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc(Cl)c1Cl	917774028	GYWLTRPWBBKFGG-UHFFFAOYSA-N	402.306	5.283	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)c2ccccc2OCC#N)c2cccs2)cc1	919990494	YFNNYPSMDZRYSO-HXOBKFHXSA-N	404.535	5.683	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(C)cc3s1)C2	1798593448	MFHIWXYBECHBPK-ACDBMABISA-N	424.610	5.454	30	20	HKED	
CC(C)c1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)s2)cc1	9968433	WJVZALRWDPSUCK-CQSZACIVSA-N	423.567	5.396	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1	10172698	XQAONSYRDXWZKD-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(C)c2)cc1	10173478	SOQVOXWDMBEAGD-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)cc1	10173571	PQLNHUHZPOKILI-UHFFFAOYSA-O	401.555	5.076	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C1CC1	20976632	YWIBFYFZYVKHIB-QFIPXVFZSA-N	414.534	5.539	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1cccc(C)c1	26037694	UNUSDYKLLQMKNX-CQSZACIVSA-N	409.540	5.404	30	20	HKED	
N#C[C@@H](C(=O)c1occc1COc1ccccc1)c1nc2ccccc2n1C(F)F	41557334	LWTMKDUIWYFEAD-INIZCTEOSA-N	407.376	5.093	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2ccc(OC)cc2)n1	48053781	OCFZLQHFDFFJEO-UHFFFAOYSA-N	418.522	5.011	30	20	HKED	
N#Cc1ccccc1OCCSCc1csc(COc2ccc(F)cc2)n1	60522191	ONPNYCIBPPTXII-UHFFFAOYSA-N	400.500	5.045	30	20	HKED	
COc1ccc(-c2nnc(SCCC(C)(C)C#N)n2CCc2ccccc2)cc1	97599170	LRPOOCDQTMGFNI-UHFFFAOYSA-N	406.555	5.228	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(Cl)ccc2Br)cc1	217174626	ILAQMEKUHYTXBU-UHFFFAOYSA-N	407.695	5.062	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Br)cc1Cl	322963654	WPRWYVAFOZNLQB-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
N#CCCn1ncc(C(=O)NCC(c2ccccc2)c2ccccc2)c1-c1ccccc1	429718444	NESQXVYDDORALJ-UHFFFAOYSA-N	420.516	5.026	30	20	HKED	
Cc1c(C(=O)Nc2cc(F)cc(F)c2Br)sc2ccc(C#N)cc12	429878251	FTRDXUXNMXTKQT-UHFFFAOYSA-N	407.239	5.374	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(Br)cn1	432070915	CYXWTEPIZDLSHW-STQMWFEESA-N	419.348	5.121	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ncc3n2CCCC3)CC1	432869350	VYUJJUNVYZNLTO-KRWDZBQOSA-N	423.586	5.025	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1Cl	434219451	DNHMDAKKULIWFD-JOCHJYFZSA-N	419.887	5.725	30	20	HKED	
COc1ccc(C#N)cc1CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1	435133316	AVOWXGNAQPYHDC-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1F	437456923	BYJPHNOXRDWUEK-GOSISDBHSA-N	404.466	5.708	30	20	HKED	
C=C[C@@H](CC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21)c1ccccc1	438636270	KGNYEQCCEQDZJI-KXBFYZLASA-N	400.316	5.091	30	20	HKED	
N#Cc1ccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(Cl)c1	439458639	TZOIEETYUCFMLS-JOCHJYFZSA-N	404.876	5.232	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2ncc(-c3ccccc3)o2)cc1	439567295	GNCWKQVXMVQWSI-QGZVFWFLSA-N	411.461	6.187	30	20	HKED	
C[C@H](Sc1nnc(S[C@H](C)c2cccc(C#N)c2)s1)c1cccc(C#N)c1	442909772	UIAAPUPAUQKXAR-OKILXGFUSA-N	408.577	5.988	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	443881204	PMKRWDYQSSQZMA-NSHDSACASA-N	409.389	5.260	30	20	HKED	
Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1	443910117	QKDLGOFXUGSGQZ-UHFFFAOYSA-N	422.435	5.097	30	20	HKED	
C[C@H]1COc2ccccc2N1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	443941718	ACJZOOGMMDOCEH-HNNXBMFYSA-N	404.853	5.432	30	20	HKED	
Cc1cnc([C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C2CC2)s1	460319169	NKRQSRSPDSPMBX-FQEVSTJZSA-N	407.470	5.136	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1cccs1	460584382	NDVYXCFKZXTQPG-IBGZPJMESA-N	401.539	5.472	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)c2cc(F)ccc2F)CC1	462371542	QJBLNBSWRCJOQT-UHFFFAOYSA-N	411.839	5.137	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	462923070	KFLREFZTHUNBCR-WIOPSUGQSA-N	412.489	5.309	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2cccs2)CC1	467114149	NMUGTRMHVZADQZ-UHFFFAOYSA-N	418.522	5.075	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2cccnc2)c1	467342327	SVMQONLWSDSVMN-KRWDZBQOSA-N	402.523	5.322	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccoc1Br	469414056	MTWYKRDAWBBHSL-UHFFFAOYSA-N	419.222	5.319	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCC2(CCCCC2)CC1	470916678	ITKTWUMBIAIWCZ-KRWDZBQOSA-N	413.587	5.029	30	20	HKED	
O=C(NCC1(C(F)F)CC1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	472185127	BTWGXBMJLHUQER-NSHDSACASA-N	404.301	5.043	30	20	HKED	
C=C(C)[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(F)c(F)c1	475662970	SKHJPODGBVKFGF-JOCHJYFZSA-N	418.390	5.264	30	20	HKED	
C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1	477638107	LNKYMWJWGFBMTP-LEWJYISDSA-N	417.553	5.077	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(CCCCOC)Cc1ccccc1)c1ccc(F)c(F)c1	477754707	LAYCPVUVIKMJRV-JOCHJYFZSA-N	402.485	5.220	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)c3ccccc3C#N)c3cnn(C(C)C)c3n2)c(C)o1	479695464	SXIVCBWWAIEBKZ-UHFFFAOYSA-N	413.481	5.037	30	20	HKED	
COc1cc(C#N)cc(Br)c1OCc1csc(-c2cccs2)n1	479938716	HOYGOQICLAKTCL-UHFFFAOYSA-N	407.314	5.093	30	20	HKED	
O=C(CCOCC(F)(F)C(F)F)N1CCCC[C@@H]1c1ccccc1C(F)(F)F	480047056	ILVAHZWCELZEKV-CQSZACIVSA-N	415.349	5.066	30	20	HKED	
C=C(C)[C@@H](NCc1csc(CC(=O)Nc2ccccc2)n1)c1ccc(F)c(F)c1	481628542	OLWFQBVRXSOLEP-JOCHJYFZSA-N	413.493	5.010	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1	481689019	XDJJUMPSGFRHDY-LJQANCHMSA-N	409.486	5.611	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1	482936082	XDKCVOAFVLXANW-REWPJTCUSA-N	421.541	5.161	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)N1CCC(C(F)F)CC1	483180450	KFNIYBQUVPFBPJ-UHFFFAOYSA-N	420.300	5.156	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1ccc(Cl)cc1	483197305	KMYDHFXCPJMIMX-IBGZPJMESA-N	400.869	5.126	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c12	483225480	FHONYMZWZJOYNO-FQEVSTJZSA-N	422.419	5.376	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)ccc1-n1cccn1)c1nc(-c2ccc(Cl)cc2)cs1	483460201	KGNMQRIKKICLIZ-QGZVFWFLSA-N	422.872	5.278	30	20	HKED	
Cn1cc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C(C)(C)C)cn1	483567957	YXGGKRVTMSHQRU-NRFANRHFSA-N	421.476	5.132	30	20	HKED	
CCc1nc2ccccc2c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C	487085145	HITPHITWQLARCQ-UHFFFAOYSA-N	413.399	5.171	30	20	HKED	
C=CCn1c(SCc2nc3cc(Cl)ccc3n2C)nnc1-c1cccs1	489421904	GPXWSJFLUPSNOI-UHFFFAOYSA-N	401.948	5.025	30	20	HKED	
N#C[C@@H]1CN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C[C@H]1c1ccccc1	489975943	XSEJJDRUROPJAP-HLAWJBBLSA-N	413.443	5.105	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1CCCc1ccccc1	494080125	QHLYRUBYMRTQIC-PZJWPPBQSA-N	407.583	6.100	30	20	HKED	
O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccc(F)cc1C(F)(F)F	494823331	MECGBVVXSLUJEE-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1OCC	499844784	WHNSDJOUVHCDRQ-QGZVFWFLSA-N	407.297	5.176	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	501015579	BNTKFVYEVLLVKW-RTBURBONSA-N	410.395	5.507	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(OC3CCCC3)CC2)cc1	503888404	XJGGFUVXHQFOMM-UHFFFAOYSA-N	420.578	5.414	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CC[C@H]1C(F)(F)F	504924996	PKFIAMWYHKAWPZ-CYBMUJFWSA-N	416.337	5.209	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)cc1	510676092	VUAWQDBGYZCZCY-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510774102	YUKLMZWAYSDHIU-UHFFFAOYSA-N	403.869	5.227	30	20	HKED	
Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(C#N)cc3F)c(C(F)(F)F)c2)n1	512648436	MUUACMGNIGNEJJ-OAHLLOKOSA-N	416.422	5.370	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1	514954961	SJSVIJNXHDTYIP-CQSZACIVSA-N	416.597	5.039	30	20	HKED	
C=CCN(C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	517307162	YBUBUFXAGJNBBY-UHFFFAOYSA-N	418.440	5.584	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	517351484	NMUHVCZZQDMOBV-CQSZACIVSA-N	417.465	5.380	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl	517517987	NNARSOXLQFYDHH-QWHCGFSZSA-N	409.338	5.794	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1	518261072	AJKCEKZJKYOPSW-ZRBLBEILSA-N	400.526	5.051	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(OC(F)F)cc1	520816091	JOEYZGITHCVBIG-AWEZNQCLSA-N	422.522	5.554	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	521797344	OHMVBLSWQLGQJB-INIZCTEOSA-N	417.490	5.377	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O	522863686	WUKHABCRWLQCSC-AWEZNQCLSA-N	423.925	5.744	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	523185966	IVIBFKZQMJRHDH-HXOBKFHXSA-N	417.484	5.326	30	20	HKED	
CCN(C(=O)c1occc1COc1cccc(C#N)c1)c1nc2ccccc2s1	523227985	AQQHQNFBLDCYIF-UHFFFAOYSA-N	403.463	5.007	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	523933578	BJAAGTWZTPLZAC-SFHVURJKSA-N	424.957	5.817	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1	523968408	RZGDAKMVHFKZGV-JLTOFOAXSA-N	403.404	5.095	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(CC(C)C)nc1C	524386598	JWDQVTBCKRXJAB-UHFFFAOYSA-N	419.550	5.661	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1	525024270	NRNNUCAZEMQNER-RTWAWAEBSA-N	418.443	5.352	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2ccccc2)[C@@H](C)C1	532576467	BDTWJUUFDNHRPT-SVFBPWRDSA-N	407.583	5.002	30	20	HKED	
CC(C)CN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C#N)cc1	533497821	AGFSRQXCNZIDKB-GOSISDBHSA-N	406.555	5.054	30	20	HKED	
CC(C)C[C@@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	537512067	LTMJPWXZLHUEIP-ISKFKSNPSA-N	421.541	5.047	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1F	538227472	WTJZVZDMGATFQT-QRQCRPRQSA-N	417.525	5.142	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F	539754099	FRZFARKMFLFCAH-UHFFFAOYSA-N	421.375	5.122	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2c1	545311846	OEGIABRLIPZGPQ-IRXDYDNUSA-N	404.535	5.842	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2csc(-c3cccc4ccccc34)n2)CC1	548774306	BCBVRCKAMMRWGJ-UHFFFAOYSA-N	424.529	5.056	30	20	HKED	
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	550830803	HVNYOEMIHULDKN-YADARESESA-N	410.583	5.489	30	20	HKED	
CC(C)(c1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1)C(F)(F)F	554576046	QJJKJFZGNOAVFU-UHFFFAOYSA-N	416.447	5.011	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c1	565378787	BPYOCBJANTXRNB-UHFFFAOYSA-N	405.615	5.050	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccccc2)C1	571229244	YUSZXGPAXLYUTE-HJOGWXRNSA-N	414.553	5.093	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	590234733	BIZHUYNOKMEOQV-UHFFFAOYSA-N	418.518	5.417	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc2cc(Cl)ccc2s1	591862520	UCGXEGVYFSWIGP-MRXNPFEDSA-N	421.934	5.986	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1nc2cc(F)ccc2s1	592973896	LBTYSPAZHYNBGO-GOSISDBHSA-N	420.440	5.644	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)o1	592974431	SAEKQMUULOFPPG-OAHLLOKOSA-N	422.437	5.106	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	604027231	OZOHALPCCMWYDY-UHFFFAOYSA-N	401.853	5.447	30	20	HKED	
C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(F)cc1Cl	604044392	KOZYCCPVECGPJV-OAHLLOKOSA-N	423.875	5.369	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3Oc3cccnc3)c2)c1	604523234	IFJYMETVOOTFRQ-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=CCN(C(=O)c1cc2c(Cl)cccc2s1)c1nc(C(=O)OCC)cs1	604534079	PGNNOIMUZINYKD-UHFFFAOYSA-N	406.916	5.021	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1F	605363637	SYGAUACFUKASSF-LJQANCHMSA-N	401.416	5.615	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)o1	609173268	NQLROTVKVHKYFW-DKLXNKCPSA-N	414.505	5.296	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1NC(=O)c1ccco1	609375280	CCROZPWOQHWEAM-UHFFFAOYSA-N	405.479	5.098	30	20	HKED	
CCCc1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1	609377863	HUBHQTCXPUZEJQ-UHFFFAOYSA-N	413.490	5.681	30	20	HKED	
Cc1ccc(NC(=O)CNc2ccccc2SC[C@@H](C)C#N)c(Br)c1	609384650	DCUBVRXVIFGKIU-AWEZNQCLSA-N	418.360	5.060	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1	609430378	TWXLIFDMANPNJL-CQSZACIVSA-N	419.531	6.203	30	20	HKED	
Cc1cc(F)cc2c(=NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(C#N)c[nH]c12	610246154	HGRTVKGNYKMVIN-VXGBXAGGSA-N	419.344	5.297	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610321422	UELSQMFUJVLMDF-OPAMFIHVSA-N	416.456	5.500	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	618808920	LLHKJYPVOYPWGY-RTWAWAEBSA-N	407.926	5.349	30	20	HKED	
CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(O)c(CN2CCCCC2)c1	726426334	UITULMZINWZVAL-UHFFFAOYSA-N	416.447	5.105	30	20	HKED	
CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	729036355	OGELYCFGWJGXJZ-DEOSSOPVSA-N	401.485	5.924	30	20	HKED	
C=CCc1cc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc(OC)c1OC	729683256	KHOSTUNOXQDITE-UHFFFAOYSA-N	413.521	5.061	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@H](C#N)c2nc3ccccc3s2)c1	730072511	XLBFERXHWSLFPQ-NRFANRHFSA-N	412.514	5.603	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)c2ccccc2)c1	730689421	GQHLONWTDVZZRG-PXDATVDWSA-N	410.473	5.948	30	20	HKED	
COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCc2occc2C(=O)O)cc1	730948254	AOGFTRYFBXDZNF-XBXARRHUSA-N	412.825	5.115	30	20	HKED	
C[C@@H](CC(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CCCCC1	731076930	ISHYTOFVSLLDNN-DLBZAZTESA-N	402.560	5.169	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br	731332257	HHZODSIOAWYYPH-LLVKDONJSA-N	420.288	5.004	30	20	HKED	
CC(CCc1ccc(F)cc1)=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	733079772	KMPKGDASQRCTTL-UHFFFAOYSA-N	403.383	5.117	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1	733628223	NQNOKMCXOUWPPF-UHFFFAOYSA-N	412.921	5.657	30	20	HKED	
O=C(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cc(F)c(F)c(F)c1F	733946580	ATCSDUPKNUDTSF-NSHDSACASA-N	400.677	5.227	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)C1CCOCC1	734650957	VJCNBXQXUYIOAE-JTSKRJEESA-N	409.555	5.370	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)c1	735044298	NENCNTPPNBUJOK-UHFFFAOYSA-N	421.869	5.103	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	735320216	NCENZXIZNHETIW-CYBMUJFWSA-N	409.338	5.465	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1cnc2ccsc2c1	739399691	ISCWVRBJENDBPA-UHFFFAOYSA-N	421.547	5.274	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccccc3OCc3cccnc3)c2)s1	740014935	ZYXQLYUCLCVLRE-UHFFFAOYSA-N	411.530	5.551	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C)c1nnc(-c2cccs2)o1	740330007	YMTNBMRBQSVELA-LLVKDONJSA-N	424.400	5.300	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	741113085	NBDHQRRWAYRNAK-AUUYWEPGSA-N	419.531	5.047	30	20	HKED	
COc1ccccc1-c1ccc(/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1	741468311	HSRPRZLFMLNAPZ-KAMYIIQDSA-N	404.462	5.284	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc2c(c1)COC2	742437092	RMLAICVVFFBGCB-NYYWCZLTSA-N	403.865	5.519	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1sc(-c2ccccc2)nc1C	743837259	FJDMGUACUAADDW-UHFFFAOYSA-N	409.536	5.004	30	20	HKED	
C=CCCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	744283082	HHIMZGANIMSHAT-UHFFFAOYSA-N	409.225	5.026	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1	746125548	JJQPKEICLVXMLZ-JTHBVZDNSA-N	423.438	5.174	30	20	HKED	
O=C(CON=C(c1ccccc1)C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F	751965496	MWLGLVFXFHCYAU-UHFFFAOYSA-N	424.728	5.281	30	20	HKED	
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1)c1ccc(Cl)nc1	759082473	FIRORCHEDIKSHW-NXZHAISVSA-N	409.272	5.576	30	20	HKED	
COc1cc(CNc2ccccc2O[C@@H](C)C#N)ccc1OCc1ccc(F)cc1	779993984	PDWRFPANXRPTFS-KRWDZBQOSA-N	406.457	5.316	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)Nc1ccccc1O[C@H](C)C#N	780674510	ODYXCNHVEHBUCU-QGZVFWFLSA-N	421.522	5.282	30	20	HKED	
Cc1[nH]nc(C(F)F)c1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	781357970	XACMBOFPLAGZPR-NSCUHMNNSA-N	413.268	5.345	30	20	HKED	
C#CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)s1)c1ccccc1	784399300	YQTVDPQQKYYFTE-CVEARBPZSA-N	403.345	5.122	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1c[nH]c2ccccc12	786361254	UIYHUJQVTWUNGM-HNAYVOBHSA-N	410.502	5.533	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(c3ccccc3Br)CC2)s1	797566602	OKBALBJYHJYRAU-LBPRGKRZSA-N	403.345	5.111	30	20	HKED	
C[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	798404916	RKKPMQQBRJVUMK-ZWKOPEQDSA-N	421.303	5.398	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNc2c(C#N)cnc3c(Br)cccc23)c1	799321326	ZSZOXGPTTICSHZ-INIZCTEOSA-N	421.298	5.162	30	20	HKED	
Cc1ccccc1[C@@]1(F)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	800519034	IWKVHIBEBSJODG-JYFHCDHNSA-N	413.496	5.753	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	802042110	AHEQEUGUGNNXFJ-MJGOQNOKSA-N	414.358	5.217	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1	808824433	CYAIYQOFHYKDNR-UHFFFAOYSA-N	411.571	5.438	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](Cc2ccccc2)c2ccc(OC)cc2)c1	810225387	CGVKUBYSQFXGQH-OZXSUGGESA-N	400.522	5.450	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)nc1	814637250	XDLJHXZISUIAJV-QFIPXVFZSA-N	400.482	5.739	30	20	HKED	
CC(C)CN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C#N)cc1	914510367	GQHPXZWOOSABJS-UHFFFAOYSA-N	406.489	5.471	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1	915088012	YPPIRSWXVWBBGF-HXUWFJFHSA-N	413.502	5.029	30	20	HKED	
CCCCn1nc(C)c(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)c1Cl	915849105	YJQSXNHSWMLRNO-LFIBNONCSA-N	402.951	5.153	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)cc1	916912833	MDWWMXFXICBENH-BUVUWQSRSA-N	418.493	5.477	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1cccc2ccccc12	916918399	OPPYURMCONYOQB-QFIPXVFZSA-N	418.452	5.629	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	917026835	PJDCSECCGSIZFV-WFASDCNBSA-N	417.317	5.761	30	20	HKED	
Cc1ccc(CCn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)c(C)c1	1510848559	ZECTYKGFILFMPY-UHFFFAOYSA-N	405.590	5.000	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4oc5ccccc5c4C)cc3)CCC2)C1	1788965982	DYZYOWBRMBCEMQ-UHFFFAOYSA-N	414.505	5.455	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3Cl)CCC2)cc1	1791586273	XWGFVSJDBQKXQY-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C)[nH]n1	1819555505	JSOLYMOIPCUFIJ-HXUWFJFHSA-N	408.546	5.016	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Cc1coc2ccc3ccccc3c12	7649088	IUUNSCKQZFBBBX-UHFFFAOYSA-N	400.503	5.050	30	20	HKED	
CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2cccc(O)c2)cc1	11170330	HMHWOJVHGLCZLU-UHFFFAOYSA-O	423.533	5.167	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	22744948	LINFGEIWGGWPRY-SANMLTNESA-N	415.606	5.856	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccncc3)c2)cc1	47570383	JNFCPXHJIFYZSQ-XMMPIXPASA-N	412.493	5.096	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(CN(C)C)c1	56656927	SZICGMZVCUMYAI-UHFFFAOYSA-N	414.509	5.042	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(-n2cccc2)sc2c1CCSC2	62903342	WXOFNMWFAMOXGV-UHFFFAOYSA-N	419.575	5.028	30	20	HKED	
N#C[C@H](C(=O)c1cccn1Cc1ccccc1)c1nc(-c2c(F)cccc2F)cs1	64715160	BQQLYTDETDDWRE-MRXNPFEDSA-N	419.456	5.428	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	109910430	PXJPIZCSVZKMAY-TZMCWYRMSA-N	422.260	5.472	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1ccccc1F	215806949	RLCUAPDYRYWWRB-UHFFFAOYSA-N	414.556	5.748	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1	237610820	UGIZIXGBYSLRGZ-OAQYLSRUSA-N	422.532	5.179	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(F)cc2)CCOCC1	261406562	PKIVXQMUDCOGML-INIZCTEOSA-N	413.518	5.047	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N(C)Cc3ccc(C#N)cc3)s2)cc1	303278328	JJHQCMFPSWGALQ-QGZVFWFLSA-N	404.539	5.201	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)CC1CC1	303732464	VFZANVYPMJNSJA-KRWDZBQOSA-N	411.546	5.071	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C#N)cc3Cl)s2)c(F)c1	409975073	ZODMJFJZPIHXIM-UHFFFAOYSA-N	401.850	5.044	30	20	HKED	
Cc1ccc(-c2c[nH]cc2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)s1	427003462	XABHQBACPJWAOI-UHFFFAOYSA-N	405.523	5.043	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	431184110	RRHDVZIUQUYHNX-SFHLNBCPSA-N	422.598	5.113	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2cccc(Cl)c2)CC1	432073366	BWNRGEJQWQTVCE-INIZCTEOSA-N	411.958	6.055	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1C#N	432203847	PVFVBXZOLVIXDS-UHFFFAOYSA-N	410.499	5.067	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)c(C(F)(F)F)c1	433141870	QSJUBHCGOSPIFJ-AEFFLSMTSA-N	417.431	5.264	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cc(C#N)cs1	437705857	QDSVRTJPOOGCRR-UHFFFAOYSA-N	418.497	5.917	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1	438606570	ROLILERQOGIMCT-UHFFFAOYSA-N	417.534	5.110	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NCC(=O)NCc2ccc(C#N)cc2)cc1	439543364	ABCZXLZRRRTJGS-GOSISDBHSA-N	401.535	5.140	30	20	HKED	
C=CCn1c(SCc2csc(CCc3ccccc3)n2)nnc1-c1ccncc1	440190401	PRSLJZXXYFSOTO-UHFFFAOYSA-N	419.579	5.060	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1cccc(F)c1	440363432	DDAHRWLWVCCXOA-RDJZCZTQSA-N	401.507	5.199	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	442201997	QSUHGDDPJHSNSN-LJQANCHMSA-N	405.420	5.493	30	20	HKED	
CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccc(C#N)cc3)cc2)C1=O	445985222	IRARBIZOJKRBSB-HSZRJFAPSA-N	411.461	5.270	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)n1	447683598	RONDJPAFMXWPLG-KRWDZBQOSA-N	404.539	5.086	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H](C)c1cccc(C(F)(F)F)c1	460770458	MCMXRHWBCPWWNW-RLFYNMQTSA-N	408.468	5.168	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1	469060723	RRVWSWXMUGJGAX-INIZCTEOSA-N	415.522	5.233	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1oc(CC(C)C)nc1C	475490615	DNCQTHQEPFXSMP-UHFFFAOYSA-N	403.482	5.193	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	475555495	WYYMBSPOGBKQJM-UHFFFAOYSA-N	404.558	5.006	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1	475559744	PTIMAWIGBNHATB-UHFFFAOYSA-N	407.558	5.294	30	20	HKED	
Cc1c(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)sc2ccc(C#N)cc12	476929035	DPODEECCCJHRBL-SFHVURJKSA-N	401.491	5.590	30	20	HKED	
C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	477998703	OYZYLZNUAPIRSD-BVZFJXPGSA-N	413.496	5.343	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1	478922296	LPCAAHMHHRRHMY-UHFFFAOYSA-N	400.309	5.771	30	20	HKED	
C[C@@H](NS(=O)(=O)CCCCC#N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	480791414	YQJRIKXJMYTWEK-CYBMUJFWSA-N	416.490	5.108	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	482033527	PAFPSCCAKXFKRR-UHFFFAOYSA-N	417.248	5.298	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1	483930294	HLMISFPDVHKXLJ-QGZVFWFLSA-N	409.408	5.038	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1	485727454	AWIXNIHZBMTZEK-UHFFFAOYSA-N	410.926	5.844	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	485766050	ZPRKRTGUCWIPKD-UHFFFAOYSA-N	402.519	5.778	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc2ccccc2n1CCc1ccccn1	486414876	GRDIPKGRXIDONJ-UHFFFAOYSA-N	414.534	5.204	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ccc(Cl)cc1C(F)(F)F	490293657	XJLKCTKHAWQVKQ-UHFFFAOYSA-N	401.665	5.491	30	20	HKED	
CC(C)(C)C[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	490923603	DRKYVYYXHLHASX-OAQYLSRUSA-N	405.542	5.764	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cc(C(F)F)ccc3Cl)C2)c(F)c1	497412554	RGYXBKVYOFCCLI-CQSZACIVSA-N	422.838	5.079	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1cc(F)cc(F)c1	501130180	BZDAZDHBAKMBNI-UHFFFAOYSA-N	407.420	5.301	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc([C@H]4CCCOC4)cc3)c2)c1	502949282	GRXPUDWCIIPPDO-QHCPKHFHSA-N	412.489	5.284	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1	505016368	GKBQGNWNQPXIRQ-LJQANCHMSA-N	420.488	5.406	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(C)[C@@H](C)CC#N)cc12	505148934	OBFJTMQIOQYOHB-NSHDSACASA-N	421.353	5.136	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)cc1	507196190	XDNXEQAHRMVNEH-AEFFLSMTSA-N	402.416	5.249	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccc(C(F)(F)F)cc1	509189200	BHVVGEKEWKMUTJ-QGZVFWFLSA-N	408.464	5.747	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2(C(F)(F)F)CCC2)cc1	510853912	WGGDPXKMBDCEGN-UHFFFAOYSA-N	419.422	5.142	30	20	HKED	
CCOc1cc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C	513677426	WSTWCIRDWZQWBH-MRXNPFEDSA-N	401.491	5.191	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1[N+](=O)[O-]	513954556	HHVXONKVJLCBPF-UHFFFAOYSA-N	418.428	5.148	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nc2ccccc2o1	515597232	CCTODYUAHXMTQV-GOSISDBHSA-N	423.403	5.779	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)s2)cc1	517114985	HGNLTQCWBYQZIT-NRFANRHFSA-N	414.490	5.110	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3C3CCCC3)c2)cc1	519002569	JBWWZBUMVNMQIN-DEOSSOPVSA-N	403.526	5.518	30	20	HKED	
N#Cc1cccc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1	520236913	IELOXCLIGSFKEJ-UHFFFAOYSA-N	401.510	5.060	30	20	HKED	
Cc1cc(Br)oc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	520427623	RGTKXQIYGHWAKY-SECBINFHSA-N	423.238	5.242	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-n2cccc2)c1)c1nc(-c2c(F)cccc2F)cs1	520432087	MABLYQRRWWGTJE-INIZCTEOSA-N	405.429	5.369	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H]1c1ccccc1Cl	523591141	WSCZFXOFUXKDJR-QHCPKHFHSA-N	401.897	5.504	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)cc2F)c1	525032316	ZFAZWEOUKSHWKJ-OALUTQOASA-N	422.406	5.297	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OCC(F)(F)F)nc1	530500226	UYXDMXWXNBTHKN-UHFFFAOYSA-N	407.436	5.196	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)c1	531390983	MFISRSATJVXGJU-UHFFFAOYSA-N	400.372	5.115	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccsc1)c1ccccc1	532684334	FWBDCTXKYPYHRF-SFHVURJKSA-N	421.591	5.645	30	20	HKED	
CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(-c2ccccc2C#N)cc1	533238917	PAIOQGCCMWAEAZ-UHFFFAOYSA-N	424.331	5.603	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	536441967	LKSAWOGDMUPKIP-MJGOQNOKSA-N	408.910	5.457	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)cc2)CC1	537393084	AOMDDZJTJLZLDC-UHFFFAOYSA-N	411.292	5.046	30	20	HKED	
N#CCCCOc1cccc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1	538739542	WDHAZAYVKGSYCS-OAQYLSRUSA-N	405.325	5.249	30	20	HKED	
C[C@H](Cc1nnc(NCc2cn(CCC#N)nc2-c2ccccc2)o1)CC(C)(C)C	539692597	FZNKEIZAUCRWIS-QGZVFWFLSA-N	406.534	5.074	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	540562163	ASWYLUYYWKIGDW-SFHVURJKSA-N	408.527	5.175	30	20	HKED	
Cc1noc(-c2ccccc2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542003503	SFFPPGOGALRXKT-INIZCTEOSA-N	408.461	5.075	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	542566351	JTTYRVYVIGWGMB-UHFFFAOYSA-N	418.493	5.688	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1	542673829	KZTXYVMJNAWSPC-UHFFFAOYSA-N	422.447	5.762	30	20	HKED	
C[C@H](NC(=O)CCc1nc(C2CCCC2)no1)c1ccc(-c2cccc(C#N)c2)cc1	543857050	VNBLPOIXUWLQDP-KRWDZBQOSA-N	414.509	5.076	30	20	HKED	
Fc1ccc(C(F)(F)c2noc(-c3cc(OC(F)F)cc(OC(F)F)c3)n2)cc1	544453319	SZGROKFMDCJITP-UHFFFAOYSA-N	422.256	5.219	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)CC1	548795572	DCZYEZOGQBKGEX-UHFFFAOYSA-N	418.447	5.116	30	20	HKED	
C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1	549256879	PIJMRPQPUSCAOW-UHFFFAOYSA-N	424.414	5.212	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cccc(Nc4ccccc4)c3)CC2)c(F)c1	557661141	OWBRODHFTCJBND-UHFFFAOYSA-N	415.468	5.125	30	20	HKED	
CC(C)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(F)(F)F	558746277	NFEHTMLMDQHELQ-UHFFFAOYSA-N	405.420	5.042	30	20	HKED	
CC[C@@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1	572057461	DOOVQJPHGSQYIO-SECBINFHSA-N	418.309	5.340	30	20	HKED	
CN(C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	576618279	NBADYGATRIWFPL-PXWWUCIGSA-N	400.338	5.034	30	20	HKED	
Cc1nc(-c2ccc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)cc2)cs1	577693842	NATCASMNKLQVKA-QGZVFWFLSA-N	417.412	5.012	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1C	579165821	BJAYWUBACGZXEL-UHFFFAOYSA-N	420.516	5.522	30	20	HKED	
C=CCN(C(=O)c1ccn(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	589288864	YGVINRNPAYNTON-UHFFFAOYSA-N	400.507	5.043	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c(C)c2c1	596013070	SXHPCUULLURCLI-MRXNPFEDSA-N	420.534	5.909	30	20	HKED	
COC(=O)c1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(F)cc1F	602844398	OMXXWLRPNFUDQY-UHFFFAOYSA-N	424.428	5.027	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	603740223	XVEQMVRLLZTNKF-UHFFFAOYSA-N	407.857	5.033	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	604461416	XJTYHKRDJCPCJB-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
C=C1CCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)CC1	606366805	WMIWYNXDEHWRBD-UHFFFAOYSA-N	401.388	5.009	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1	609398732	MSRMUWQWENIZRE-YOEHRIQHSA-N	407.461	5.754	30	20	HKED	
CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609500528	RWVGENJIDSWTKN-GOSISDBHSA-N	402.498	5.601	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)cn2)c1	609553621	DMAFHNBTMKUKAJ-SFHVURJKSA-N	418.884	5.420	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3Cc3ccc(F)cc3)c2)cc1	609660613	VDNRJYDVIJLZLP-DEOSSOPVSA-N	414.480	5.124	30	20	HKED	
CC(=O)N(C)c1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609818691	BKJBTQGDYKDRSX-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(C#N)c1	610361681	ISLCMPUHSWXNLO-GFCCVEGCSA-N	416.333	5.408	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2Cl)s1	610598346	QUFRIWNXINMDGJ-HKUYNNGSSA-N	407.926	5.375	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cc2ccccc21	612503846	LJEROYXGLAWQQY-UHFFFAOYSA-N	423.097	5.486	30	20	HKED	
Cc1ccc(Cn2cc(C(=O)[C@@H](C#N)c3ccccn3)c(-c3ccc(C)cc3)n2)cc1	613296427	DEJHISJYHCZOBJ-QFIPXVFZSA-N	406.489	5.100	30	20	HKED	
Cc1oc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C	613347302	YWZZWCAMOFZRPF-AWEZNQCLSA-N	405.306	6.125	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c1C#N	619143659	SRHHXUFOWMMQTI-UHFFFAOYSA-N	406.536	5.237	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622477560	DFWHYXXBFCNOSZ-MEDUHNTESA-N	423.328	5.422	30	20	HKED	
CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1	642281523	OGBNYUWJXIJCAX-XOQVKLMPSA-N	419.550	5.059	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1	662025075	PLVKPVURBACSES-ROUUACIJSA-N	420.582	5.052	30	20	HKED	
C[C@@H](CSc1ccc(F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	674784849	WHKMZPIGXABWIC-SDDRHHMPSA-N	417.390	5.143	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC2(CCOCC2)[C@@H]1C)c1ccc(C(F)(F)F)cc1	680388611	UVUPHNAHFKMXRM-QFBILLFUSA-N	410.480	5.313	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1Cl	727631381	FBQZSDDJPJZMGI-TZIYXEQSSA-N	414.864	6.021	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ccccc1Cl	728063173	YIIQRMDHOKOTIQ-QGZVFWFLSA-N	419.912	5.538	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(OCc3cscn3)c2)c1	728186286	WQYIVOPHJGWRAU-UHFFFAOYSA-N	414.486	5.143	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1	731223603	IECABZNKDNGYMB-AZGAKELHSA-N	423.516	5.034	30	20	HKED	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1F	731400853	VMDBWINIHMTMNK-MRXNPFEDSA-N	414.550	5.245	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](c2ccccc2)c2cccc3ccccc23)cc1	732230159	FHLJUQLUOXSGKK-MUUNZHRXSA-N	405.545	6.069	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H]3CCc4ccccc4C3)n2)cc1	732595924	FBTUBZLVNQJXJW-IIBYNOLFSA-N	402.519	5.190	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1OC	733231622	DLVUMDKXORRXEK-GOSISDBHSA-N	424.497	5.174	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	734819442	IGFYLVCVSYQWAK-GDLZYMKVSA-N	420.559	5.003	30	20	HKED	
N#Cc1ccc2ncc(/C=C\C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2c1	736434882	YLMFEQRJVFXEPW-IHWYPQMZSA-N	409.289	5.140	30	20	HKED	
CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	738749491	MPISWYCYIZQNGM-KRWDZBQOSA-N	413.477	5.048	30	20	HKED	
Fc1ccccc1-c1nc2c(s1)C(=NNc1cccc(C(F)(F)F)n1)CCC2	739420924	ARYSDTLQZCTHIL-UHFFFAOYSA-N	406.408	5.516	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](Cn2cccn2)c2ccccc2)cc1	741389417	BKSCADVLAXMFHA-LOSJGSFVSA-N	421.504	5.102	30	20	HKED	
O=C(/C=C\c1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1)c1ccc2c(c1)COC2	742436993	PKCKKGLHECXDRW-GGXLTUIBSA-N	422.480	5.539	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	743684004	OUKRSXODHIPDKG-RUZDIDTESA-N	411.501	5.012	30	20	HKED	
CCC(CC)(CNC(=O)c1ccccc1-c1ccccc1C#N)NC(=O)OC(C)(C)C	744681415	APZOISVGCWZFFD-UHFFFAOYSA-N	421.541	5.039	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)NCCSc1ccc(Cl)cc1	745695012	OKPNHCUXQWREBU-UHFFFAOYSA-N	418.031	5.336	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1	748003956	NWUARKLHLYNLMF-KRWDZBQOSA-N	410.926	5.807	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)n1	750677661	HDQOZHKFWHCODR-NVXWUHKLSA-N	405.361	5.295	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC3CCC(N4CCCCC4)CC3)cc2)cc1	750867899	ZVUMSCPVKPGRBC-UHFFFAOYSA-N	417.553	5.072	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(SC(F)F)c2)cc1C#N	752224147	FXPCSMLZTZYIEC-UHFFFAOYSA-N	406.414	5.085	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CSc2ccc(Br)cc21	753144070	XTTBEQOZYHYLOA-GHXNOFRVSA-N	415.337	5.340	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCc2nc(-c3ccccc3F)sc21	753145243	YAJSEDHUFWPXQD-KAMYIIQDSA-N	419.506	5.680	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	760796033	NNWKQNGCXSARFL-UHFFFAOYSA-N	403.438	5.003	30	20	HKED	
Cc1ccc(-c2nc(/C=C/C(=O)c3cc(Br)ncc3F)cs2)cc1	762424695	SRTDDURZWFIXCM-VOTSOKGWSA-N	403.276	5.311	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)cc2Br)c1	764207226	GKRANQASYHYCAN-AWEZNQCLSA-N	422.710	5.105	30	20	HKED	
CCOc1cc(Br)c(NCc2ccc(O[C@H](C)C#N)cc2)cc1OCC	767409814	PUGUQDNVLHNUDP-CQSZACIVSA-N	419.319	5.149	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1	769305089	HOPAHUAPDQTQLT-LPHOPBHVSA-N	422.916	5.060	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)ccc2c1	770846431	IQVQOYWJDRZJHD-XDHUDOTRSA-N	422.484	5.453	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	773771765	TZFABTCCFFDIHO-XXBNENTESA-N	421.500	5.406	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1cc(Br)cc(C(F)(F)F)c1	779604965	OEJSMMPDBBGLOM-UHFFFAOYSA-N	403.173	5.121	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1	779713743	XPQGKUBVNCEBOW-ZWKOTPCHSA-N	417.534	5.568	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)n1	780515470	YIQUZLABSWYXQR-CQSZACIVSA-N	410.524	5.538	30	20	HKED	
Cc1ccc2c(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)csc2c1	796355117	DPJDXIHTQIZAAB-OAHLLOKOSA-N	424.547	5.257	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cnc4ccccc4c3)n2)cc1	796662860	SQCHFBSKFNLATH-HXUWFJFHSA-N	413.502	5.176	30	20	HKED	
C[C@@H](C#N)OCCSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1	801655365	XLKYUFIEQQUEGN-ZDUSSCGKSA-N	419.337	5.262	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C1CC1	806200299	COXIOVNMZGXQEQ-QFIPXVFZSA-N	413.525	5.716	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C2CCCC2)cc1	810531692	OTCDRJRRMJVNES-KRWDZBQOSA-N	401.293	5.612	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nc(-c2ccccc2)cs1	810534280	METWTLHLUUIHSC-IRXDYDNUSA-N	407.926	5.166	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813214223	USMCGSPRVDMFJS-ONGXEEELSA-N	403.187	5.051	30	20	HKED	
Cc1c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cccc1-c1ncco1	814576781	HDDSETRKXVFEFT-JOCHJYFZSA-N	408.461	5.950	30	20	HKED	
Fc1ccc(NN=Cc2cc(Br)ccc2OCc2ccccn2)c(F)c1	818195836	AHPBGCAMSGCENL-UHFFFAOYSA-N	418.241	5.147	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	914501369	GCRNOASTMQFELA-VWLOTQADSA-N	424.500	5.063	30	20	HKED	
Oc1ccc(Br)cc1/C=N\C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	914702339	BDMUUMZIJKXDNE-PNLXOMSKSA-N	418.175	5.483	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ncccc1C(F)(F)F	915049996	BWEAJVQPSFHOQQ-UHFFFAOYSA-N	407.827	5.509	30	20	HKED	
Sc1nnc(-c2ccccc2)n1N=Cc1cn(Cc2ccccc2)c2ccccc12	916307844	UBFFLRKMJSFFBR-UHFFFAOYSA-N	409.518	5.119	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1	916913884	UEYWSNMRQCFQRT-CYBMUJFWSA-N	417.317	5.732	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(OCc2ccccc2)cc1	916937900	HQFBZIKCBCRLKC-IBGZPJMESA-N	422.843	5.019	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccccc3)s2)cc1	916951497	YQWSXYIEQQYGSO-BEFAXECRSA-N	403.507	5.285	30	20	HKED	
N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2)o1)c1nc2cc(Cl)ccc2s1	917044027	OQPKJQAIJRIVOL-HNNXBMFYSA-N	407.882	5.414	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	917045682	ZSVCYIVGBCFXOD-QGZVFWFLSA-N	410.420	5.887	30	20	HKED	
CCc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917045690	ZXQLADSORHONLU-MRXNPFEDSA-N	402.441	5.687	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	920111619	OXNPWEKHXYBLNE-IBGZPJMESA-N	419.308	5.199	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4cccs4)oc3C)n2)cc1	920139631	WGYXYAUGGFVOIK-HNNXBMFYSA-N	421.503	5.334	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806849	RHDURKZTBXIRTP-UKRRQHHQSA-N	414.502	5.586	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1	920933923	WTHLGPGXONNKTN-UHFFFAOYSA-N	407.499	5.070	30	20	HKED	
COc1cccc(C2CC(=O)C(=CNc3ccc(Nc4ccccc4)cc3)C(=O)C2)c1	920976744	RPNXJVWISBNSIL-UHFFFAOYSA-N	412.489	5.450	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCCC3)CCC2)cc1	1786679530	QXLUFDYHWFQSQC-NTEUORMPSA-N	412.599	5.176	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C)n3)cc2)CCC1	1787323532	BRMBCWGAXYIFJR-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC=C)C(=C)C)CC1	1828827062	QXWWDLIEDIADHJ-SGNDLWITSA-N	412.618	5.143	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1	1831376839	WWAIGWLWBIUAJF-NQIIRXRSSA-N	416.993	5.094	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccccc1)c1ccc(Cl)s1	20834488	KPWJEWMUDZQUDO-UHFFFAOYSA-O	408.355	5.393	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(C)c1	22093381	JVKCOGXORRCSME-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
CC(=O)Nc1c(C)ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C	55888458	OYHLIISFYWZTRA-UHFFFAOYSA-N	415.518	5.537	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	97466649	DOIWXEISSVSGMO-FEAKQIBJSA-N	421.934	5.963	30	20	HKED	
CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@H](C)c1cccnc1	217225963	HPXAYGISVQUSBM-MRXNPFEDSA-N	405.885	5.622	30	20	HKED	
N#CCCCOc1cccc(NCc2cc3ccccc3nc2N2CCCCC2)c1	237828474	JFEWNYXETAJDDV-UHFFFAOYSA-N	400.526	5.520	30	20	HKED	
C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1cccs1	301735038	ZNLQYFJCNVEUKB-UHFFFAOYSA-N	401.467	5.225	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1	303273003	GMWNVHBZHHIFRS-HNNXBMFYSA-N	424.957	5.546	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1	303603915	ATMPNQZENJRMSO-WOJBJXKFSA-N	418.443	5.352	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)c2)cc1	303640438	QVHKZVCQSWFBII-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1C	409795311	OAUVIMLLEREBHN-UHFFFAOYSA-N	402.498	5.010	30	20	HKED	
C=CC[C@H](CO)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	410066899	HADYPAWXJPAXQU-OAHLLOKOSA-N	401.915	5.045	30	20	HKED	
CC[C@@H](C)N(CC#Cc1ccc(C(F)(F)F)cc1)Cc1nc(O)c2ccccc2n1	427023641	RLFCRUQSHZLYJU-MRXNPFEDSA-N	413.443	5.006	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F	432456794	ZCODAVHRAYRIQM-OAQYLSRUSA-N	417.475	5.462	30	20	HKED	
COc1ccc2nc(/C=C\c3cn(CCC#N)nc3-c3ccncc3)ccc2c1Cl	432697199	QTMDGCGOQBBOHF-ARJAWSKDSA-N	415.884	5.239	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC2(CCC2)[C@H]1C(C)C	432848884	YFRNXPYDVXZDBC-HSZRJFAPSA-N	403.526	5.488	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCc1ccc2ccccc2c1	437450630	JUQMTVXAUFSYMM-SFHVURJKSA-N	420.603	6.006	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C	437871239	UOLKPEZDSICPRI-LJQANCHMSA-N	417.431	5.485	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCC3(CCOCC3)CC2)cc1F	438884678	SNUGREMDDACZSL-UHFFFAOYSA-N	423.488	5.351	30	20	HKED	
CCCCc1oc2ccccc2c1CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1	441257492	SBARQQQWVBBXIF-UHFFFAOYSA-N	400.482	5.329	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(OCC2CC2)CC1)c1ccc(C(F)(F)F)cc1	441529048	GQKWFSTWCHWUSJ-HXUWFJFHSA-N	410.480	5.313	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCCC1(C)C	444901875	LOOLFVZFSVLAPB-HXUWFJFHSA-N	410.518	5.200	30	20	HKED	
CN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	460647147	GIVCCCLOHUXHJE-BGYRXZFFSA-N	415.459	5.488	30	20	HKED	
COc1ccc(/C=C/c2ccc(OCc3nnc(-c4ccc(C#N)cc4)o3)cc2)cc1	461071634	BQCUTHCQEHHITK-NSCUHMNNSA-N	409.445	5.366	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	464052240	JNAYDSKUBRHVBQ-ZEQRLZLVSA-N	411.505	5.462	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nnc(-c3ccccc3)s2)cc1	464675529	AWFVCSYUVCDYFD-UHFFFAOYSA-N	414.509	5.418	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)c(C(F)(F)F)c1	466594642	BBFGCSILPWXUDR-UHFFFAOYSA-N	405.420	5.270	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCC[C@]12CCCCO2	468138954	UOIGWBQNEQJUHK-TZIWHRDSSA-N	400.931	5.136	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)c1	471898840	ADLITUNBDUNKKN-LEWJYISDSA-N	422.912	5.368	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n1	474428463	BDRKPHCTZPLOOG-INIZCTEOSA-N	402.479	5.202	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	475946755	QSEBTYWNOGZBIF-MRXNPFEDSA-N	411.958	5.922	30	20	HKED	
CC1(C)CN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC[C@@H]1C(F)(F)F	478872313	WHCCOBMHWAYLAM-STQMWFEESA-N	400.338	5.049	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c1	479372380	IAZKELKBYRJGLB-QFIPXVFZSA-N	416.452	5.235	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CC1CCC1)c1ccccc1	481212124	PFIATUUEVNNGPS-XMSQKQJNSA-N	407.583	5.540	30	20	HKED	
CC[C@@H](C(=O)N1CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1)c1ccccc1	481931168	YYDRTCFLIRKZNM-RSXGOPAZSA-N	415.581	5.100	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	483194858	IYVFTMDRWIYTLM-NRFANRHFSA-N	414.896	5.240	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1cnc2ccccc2n1	483204685	SIXKWSIPBTYRAR-FQEVSTJZSA-N	413.864	5.352	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1nccc2ccccc12	483239429	SOKAHJIUXLVTDQ-KRWDZBQOSA-N	407.351	5.399	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)c1C#N	483466854	XRDBIIZVQUBYOB-UHFFFAOYSA-N	402.570	5.014	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1	483580943	CSIGBUKBIYSLPX-QFIPXVFZSA-N	408.473	5.029	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCn1c(C)nc2ccccc21	485971878	COISKLZMWQMJJI-UHFFFAOYSA-N	410.477	5.346	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](CCCC#N)c1ccccc1	487604185	OHEJKINYLMRJTF-KRWDZBQOSA-N	407.495	5.067	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1	487622869	ZQXARCJPHBVCIE-VWLOTQADSA-N	409.489	5.302	30	20	HKED	
CN(Cc1cc(Br)ccc1Cl)C(=O)Nc1ccc(C(C)(C)C#N)cc1	494580802	RTAOLNMNCMQXKT-UHFFFAOYSA-N	420.738	5.568	30	20	HKED	
COc1cccc(C[C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	497760815	BPMSDUCHTDBTHB-KRWDZBQOSA-N	401.466	5.112	30	20	HKED	
Cc1cc(C)cc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	500910973	LLCNWRGICMBMQI-HXUWFJFHSA-N	400.526	5.188	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)cc2Br)nnc1-c1ccncc1	504547052	LYXOSVMMVDWMSS-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc(Cl)c1Cl	505321725	XWXKQOORVIJDED-IBGZPJMESA-N	424.287	5.240	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2COc3ccccc3C2)cc1Cl	505724809	FXZYVFZVGDJGQS-CTNGQTDRSA-N	417.896	5.121	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1	506286331	UVTVEPCDYMNKLF-UHFFFAOYSA-N	404.297	5.943	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2ccsc2)C1	508792189	MVEPTTLMPMHFFX-QGZVFWFLSA-N	421.353	5.077	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(C)C)s1	509223926	CEWHNQHRFQSLPH-UHFFFAOYSA-N	419.550	6.471	30	20	HKED	
Cc1cccc(CN(Cc2ccccn2)Cc2cn(CCC#N)nc2-c2ccccc2)c1	513741186	HMKFSAXVJFNSLE-UHFFFAOYSA-N	421.548	5.370	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)n2)cc1	514607555	IYPPPEIOXLIKNV-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(s3)CCCCCC4)n2)cc1	516714244	WYZOMDHIAAGZFZ-GOSISDBHSA-N	417.559	5.892	30	20	HKED	
C[C@H](Nc1ncccc1C(=O)Nc1ccc(Br)cc1)c1ccc(C#N)cc1	516828377	GVXYBYURTXDZEI-AWEZNQCLSA-N	421.298	5.141	30	20	HKED	
C=CCN(C(=O)Cc1coc(-c2cccs2)n1)c1nc(-c2ccccc2)cs1	517299430	AISGLEHREJGPIP-UHFFFAOYSA-N	407.520	5.288	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)s1	518053911	UWFBPQUVUAKXFF-HXUWFJFHSA-N	419.554	5.394	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1C#N	518147786	UINNIYVMMIIKOP-ZDUSSCGKSA-N	418.444	5.022	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	518527189	OTAFZLSSOYMOGX-UHFFFAOYSA-N	423.350	5.215	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	518668919	UBJFEVPEGRKWLV-UHFFFAOYSA-N	422.472	5.680	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1nc2c(s1)CCCC2	520323524	IKWHDCCSSRUFNN-HOTGVXAUSA-N	406.473	5.363	30	20	HKED	
C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	520325541	VSHIIBSBLXKBQK-INIZCTEOSA-N	422.431	5.020	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1	520924014	DMLLSPHOJINCTJ-COXVUDFISA-N	415.356	5.586	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)s1	524566300	QNTLYGVOKPLCCN-NSHDSACASA-N	410.362	5.084	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1F	525742089	HKSIQWZWIFBYLM-HXUWFJFHSA-N	402.429	5.254	30	20	HKED	
C[C@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1	530436268	HLVYHHYZQLKRMQ-KSFYIVLOSA-N	406.327	5.350	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c(F)c1	531503928	QAKOQWKFZDECNY-UHFFFAOYSA-N	424.259	5.443	30	20	HKED	
COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	535599764	SAOCQUCQQBFZAX-ROUUACIJSA-N	411.571	5.289	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccc(C#N)c(Cl)c1	538073561	DHOMLWSAVKNKRH-UHFFFAOYSA-N	423.925	5.501	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(C(F)(F)F)cc1	539332469	UMIZJRVGIMLTSC-GOSISDBHSA-N	421.850	6.206	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	539466247	IDIKZCNFOHRAPR-CQSZACIVSA-N	414.481	5.444	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(CC#N)cc2)[C@@H]2CCCC[C@H]2C)cc1OC	540064144	GRTKIJMTKLPQEJ-XMSQKQJNSA-N	421.541	5.383	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccc(Cl)cc1	540854429	QBYCUINYBQGQAE-OAHLLOKOSA-N	410.930	5.481	30	20	HKED	
C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)C1	541041245	IEHXVKCMLXILAK-KBMIEXCESA-N	403.526	5.376	30	20	HKED	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1	541054638	PXLHNTYENKRVOZ-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C[C@@H](N[C@H](C)c1ncc(Br)s1)c1ccc(-c2cccc(C#N)c2)cc1	541175758	CKLCFVGYGMSULV-ZIAGYGMSSA-N	412.356	5.856	30	20	HKED	
CCc1cnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1	542124080	UAKMLLZNIIMCOL-ZDUSSCGKSA-N	420.275	5.668	30	20	HKED	
CSc1cccc(F)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	542162298	BLHZDUBPPBOYGN-UHFFFAOYSA-N	406.482	5.559	30	20	HKED	
N#CCc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1	543151195	CIKMDGOGPVPZOA-XMMPIXPASA-N	404.897	5.056	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)c1ccncn1	544814569	AIAXTIZIKBAAPJ-INIZCTEOSA-N	400.290	5.425	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)C3(Cc4cccs4)CCCCC3)CC2)c1	555026653	ZLIDJRZCILUDRO-UHFFFAOYSA-N	408.567	5.183	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1ccc(Cl)cc1	556521472	STJOCGISEQXMOD-OAHLLOKOSA-N	401.963	5.198	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2cc(C#N)ccc2Cl)c(C(F)(F)F)c1	573359664	YLAABINFTUBWSZ-NSHDSACASA-N	412.864	6.373	30	20	HKED	
O=C(N[C@@H]1CCC[C@@H]1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	580354543	ITIUOVLJVRBOGG-APSLCQQGSA-N	415.393	5.116	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4cc(Cl)ccc4OCC(F)(F)F)no3)CC2)cc1	581909524	FLIMMYNVVBETRP-UHFFFAOYSA-N	419.790	5.283	30	20	HKED	
N#Cc1c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)sc2c1CCCC2	590612838	NZIDPRHDRPQFCL-UHFFFAOYSA-N	413.449	5.003	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c(C)c2c1	596013069	SXHPCUULLURCLI-INIZCTEOSA-N	420.534	5.909	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	601618194	KLGJJSKCBHFWDP-CYBMUJFWSA-N	413.380	5.460	30	20	HKED	
N#Cc1c(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)sc2c1CCCCC2	603635754	FKCHYVUVXQYPRQ-UHFFFAOYSA-N	424.501	5.039	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1	603704638	NFBBLOFKBKWWTI-QFIPXVFZSA-N	405.542	5.063	30	20	HKED	
Cc1nn(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)c1Cl	604117893	FMMBFQKAVSXICN-UHFFFAOYSA-N	415.280	5.109	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)N[C@H](C#N)Cc2ccccc2)cc1OC	604474088	DBWXDNKLRDGPPO-ZEQRLZLVSA-N	400.522	5.021	30	20	HKED	
C=CCCCCCN(C)C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1	606813800	CGJBVZXFPXAPFH-UHFFFAOYSA-N	419.363	5.550	30	20	HKED	
N#CCn1c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc2ccccc21	609160940	RIZMCYLAXNGDQY-OAQYLSRUSA-N	403.532	5.076	30	20	HKED	
Cc1nc(CCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)oc1-c1ccccc1	609297514	MHUXDIGBMZTENX-UHFFFAOYSA-N	414.490	5.217	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)c(Cl)c1	609384742	OMIVJWADFISLHZ-KGLIPLIRSA-N	422.381	5.534	30	20	HKED	
CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1	609464517	LLALBASIKPSOHO-HHHXNRCGSA-N	415.581	5.228	30	20	HKED	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609497755	HJIWLPAILHHQQR-UHFFFAOYSA-N	422.488	5.003	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c2)n1	609991312	ATLAINXJAGPHLV-UHFFFAOYSA-N	405.461	5.320	30	20	HKED	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610015464	IEPUJCAWIOVSFF-QUCCMNQESA-N	412.493	5.464	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1	610387039	UUTKRTCTWGYKLP-QGZVFWFLSA-N	421.566	5.107	30	20	HKED	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610717792	WUHMRECZUILHQJ-AWEZNQCLSA-N	420.419	5.175	30	20	HKED	
CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)N1CCC(C)(C#N)CC1	611557988	HZZZPGDQDVZLCD-UHFFFAOYSA-N	417.556	5.119	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	611563850	ZAGMWJBAYMGNPH-HNAYVOBHSA-N	401.432	5.098	30	20	HKED	
C[C@H](NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2cccc(C#N)c2)cc1	611807230	YTDMKEVRRXTPAO-INIZCTEOSA-N	414.896	5.779	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc2cc(Cl)ccc2s1	613403686	RMJVUZAVKOUSME-IBGZPJMESA-N	418.905	6.019	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)s2)o1	613407135	JNYBLVMDNDGBKB-LBPRGKRZSA-N	413.911	5.773	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCc2cc(O)ccc2C1	618360857	XINMNYJTVLWRQF-HXUWFJFHSA-N	413.477	5.044	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CCc2cc(C#N)ccc21	618784352	ARUWLSMWYQEEKZ-KRWDZBQOSA-N	412.276	5.246	30	20	HKED	
N#Cc1ccc(CCC(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cc1	619144142	JQWKANXUHGEDRS-DAXSKMNVSA-N	424.500	5.009	30	20	HKED	
C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674423053	QAWGDEUOFXCALT-UWJYBYFXSA-N	422.291	5.149	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1	680581295	URUWYMVFEFTRBM-OCAPTIKFSA-N	400.310	5.033	30	20	HKED	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)cc1	726801928	PYRAYURXPYFTBR-HMMYKYKNSA-N	424.547	5.174	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)cc1OC	727764146	UEUHXYJGKNFPBO-QHCPKHFHSA-N	417.505	5.179	30	20	HKED	
O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(-c2ccccc2Cl)s1	727974623	ODVFXPAXPOEAEZ-AATRIKPKSA-N	416.955	5.258	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3ccc(O[C@H](C)C#N)cc3)s2)cc1	728697404	FQGQOSKKKBHXMC-IIEJUSTOSA-N	404.491	5.314	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc(-c2cccc(Br)c2)o1	730575589	RFOIIHSJYVNLLR-BOPFTXTBSA-N	417.328	5.212	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccccc2s1	731069179	HUCVYWSJQWUGPY-CQSZACIVSA-N	410.520	5.091	30	20	HKED	
CCc1cccc2c(CC(=O)[C@H](C#N)C(=O)Nc3ccc([C@H](C)CC)cc3)c[nH]c12	731767845	NDFPHBQILHWCPP-ZHRRBRCNSA-N	401.510	5.134	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C2\CCOc3c(Cl)cccc3C2=O)cc1	733749416	WFQMNHGEUVTTTP-NTCAYCPXSA-N	424.836	5.259	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccoc4)n3)n2)cc1	739155926	LBCMTTNWOGMPTA-KRWDZBQOSA-N	405.504	5.254	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)c1	741542393	RMIPULYMKQOIDM-UHFFFAOYSA-N	415.251	5.954	30	20	HKED	
N#CCOc1ccccc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1	742017302	HWUDZUTUGYMOMG-UHFFFAOYSA-N	402.416	5.197	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1	744028620	MEVZUGMKVOGZDS-LJQANCHMSA-N	422.406	5.294	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)n1	745596136	CCLQBSQFSQYBPM-QGZVFWFLSA-N	422.506	5.042	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl)c1ccncc1	745827756	NECUFBJHDXIBAS-XZOQPEGZSA-N	421.928	5.450	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1coc(-c2cccc(Cl)c2)n1	748100625	WCQVMOGXCKUVCF-UHFFFAOYSA-N	420.900	5.407	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(OC(C)C)cc2)nnc1-c1ccccc1F	749101131	AEEPTNUFKBDJHQ-UHFFFAOYSA-N	411.502	5.032	30	20	HKED	
CO[C@H](C)c1nc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1	749136481	WCDGLXPQAXAFLC-CQSZACIVSA-N	413.930	5.567	30	20	HKED	
C=CCn1c(SCc2cscn2)nc2sc(-c3ccccc3)c(C)c2c1=O	749906459	CDIQTIXRVKHGEB-UHFFFAOYSA-N	411.577	5.368	30	20	HKED	
CC[C@H](C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	750683952	JXKDKMJOFPBELM-SCLBCKFNSA-N	418.465	5.140	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(F)c(F)c3)n2)cc1	756230676	HUZWBMSEBVENDK-INIZCTEOSA-N	410.445	5.236	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)CSc1ccc(F)cc1	756233305	JBBYAFLQOTWKQQ-YWZLYKJASA-N	412.530	5.026	30	20	HKED	
CCN1C/C(=C/c2cnc(C(C)C)s2)C(=O)/C(=C/c2cnc(C(C)C)s2)C1	758422581	DLNRWUPBAYBZAC-BSHIDLADSA-N	401.601	5.218	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1	759971946	AOBHCOIPNOBQFT-KRWDZBQOSA-N	420.344	5.395	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cc1	760006421	FYPQGPJRKARBKD-XMMPIXPASA-N	423.516	5.395	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c1	762219035	WQFVGNCQJQOGFM-HDZGYNCQSA-N	422.834	5.283	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc(=O)oc4cc(C)ccc34)o2)cc1	768462867	ZZRXSRNYPGNJEY-UHFFFAOYSA-N	406.463	5.009	30	20	HKED	
O=C(C1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)C(F)(F)F	776010200	ZBZWROLJJYZDFC-UHFFFAOYSA-N	407.276	5.068	30	20	HKED	
CSc1cccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2cc(F)ccc2F)c1	776163964	XDBVKYVQWILIBD-GYCJOSAFSA-N	424.516	6.029	30	20	HKED	
C[C@H](OC(=O)c1ccccc1Oc1ccccc1C#N)c1nnc(-c2cccs2)o1	778181531	NMBGLHFMXHFXHE-AWEZNQCLSA-N	417.446	5.380	30	20	HKED	
CCOc1ccc([C@@H](NCc2ccc(OCC#N)cc2)c2ccccc2Cl)cc1	779092478	BOKWUOMDMWCYFJ-XMMPIXPASA-N	406.913	5.520	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12	780669476	KGLVSNALPGSWBD-KJTXIJBMSA-N	423.516	5.396	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1	790629843	RVGLVLSOBQCOQC-GOTSBHOMSA-N	403.526	5.345	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccn2)nc2ccccc12	790813587	QLMVWUNCFRIDPD-NVQXNPDNSA-N	418.500	5.209	30	20	HKED	
C#C[C@H](CCC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	791742948	XZMSGBZPFLINJD-UOKXEKBWSA-N	409.414	5.027	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(C)c(Br)s2)ccc1OC	796305105	NIZACKIRCLHHJE-DZGCQCFKSA-N	423.376	5.359	30	20	HKED	
C[C@H](c1ccccn1)N(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(N(C)C)cc1	796907200	SZLGDBBJASJQNS-LJQANCHMSA-N	412.537	5.357	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OCc3ccccc3F)cc2)cc(OC)c1OC	796993693	VNPQZQWFXZRPMA-RAXLEYEMSA-N	422.452	5.327	30	20	HKED	
N#CC1(CCCOC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CCOCC1	800155195	UTRSIRYBYNLMBC-UHFFFAOYSA-N	403.522	5.224	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2cccc(-c3ccc(Br)cc3)c2)c1	803399635	VTLXWYIHBPZYTI-UHFFFAOYSA-N	421.294	5.200	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1COC(=O)NCCC	806452249	UHBVGVBYRMUFTA-IBGZPJMESA-N	401.551	5.061	30	20	HKED	
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(C(F)(F)F)c2)no1	904310923	OERIFGHWAVYLBN-ZDUSSCGKSA-N	417.815	5.464	30	20	HKED	
C#CCNC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1	915908326	OTHFWGAFRQULGD-UHFFFAOYSA-N	414.349	5.069	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1	916906864	VYGVCLPYLZSFQA-IZLCOFNUSA-N	416.864	5.493	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21	916940651	ZIJASAADLHJLBE-MRXNPFEDSA-N	411.864	5.051	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccccc3)n2)cc1	916956407	ZZEYLDDGDBCLNV-KKSFZXQISA-N	417.534	5.214	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1	917047126	RLSFVPXAQBVNJL-VUDGCMKMSA-N	422.815	5.738	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(F)cc2F)cc(Br)c1OC(F)F	917143050	VGPXNHHBNTZTSH-DJWKRKHSSA-N	419.168	5.233	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(C2SCCS2)cc1	917715150	UOUOVKZFLNPADA-UHFFFAOYSA-N	408.573	6.018	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc2nc(O)oc2c1	1287385447	MVFGODMAXSVTOS-CQSZACIVSA-N	415.474	5.047	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1	1789005494	CYNGCGSPQSOHGZ-UHFFFAOYSA-N	414.505	5.374	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1	1790228021	JAHDKLHEESSBDE-UHFFFAOYSA-N	403.309	5.317	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1824141125	RZAXWOHMOFPASJ-XMMPIXPASA-N	414.634	5.345	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccoc1C	6912237	VACSRMJTTPKNEO-OAHLLOKOSA-N	410.543	5.277	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1	10174714	QRGXDVHLNYKXLY-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
CCC[C@@H](NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1	10399250	KCNUSFLYFUFOMC-QGZVFWFLSA-N	407.461	5.030	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	11439621	XVRCZHXQRMINCE-NRFANRHFSA-N	423.582	5.063	30	20	HKED	
C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nc2ccccc21	11650447	JGBUXNYOBPXRJE-UHFFFAOYSA-N	420.563	5.656	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(Cc2ccccc2)cc1	22805650	AOGDAXZXCMMJMW-UHFFFAOYSA-O	423.627	5.182	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1sc2c(c1C#N)CCC2	24012916	IRBNPOIWHSVDSR-GFCCVEGCSA-N	411.577	5.351	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccc(C)o2)n1)c1nc(-c2ccccc2)cs1	33153194	OUAAVSSTUMKVHR-UHFFFAOYSA-N	407.520	5.668	30	20	HKED	
Cc1cc(C)c(NC(=O)CNc2ccccc2Oc2ncccc2C#N)c(Cl)c1	55844604	VHBTXMTUFKDKQI-UHFFFAOYSA-N	406.873	5.066	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	58989358	FVDDRPXWGTWOAU-OAQYLSRUSA-N	403.869	5.206	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1occc1CSc1ccccc1	97037912	ZWGSOHFAHNXMPR-UHFFFAOYSA-N	415.436	5.372	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1ccc(OC(F)F)cc1	108965026	JLIRJIQZUGREOM-OAHLLOKOSA-N	401.482	5.510	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc2ccccc2n1	216107655	SYYGQAHVGQOTKA-UHFFFAOYSA-N	422.941	5.537	30	20	HKED	
CCOc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	303417456	XAMSUYJOMQDULD-PGRDOPGGSA-N	423.582	5.255	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C	410351665	MJYBENYAVSFBBC-RDPSFJRHSA-N	401.510	5.016	30	20	HKED	
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	427695115	LOHAYMYOINPYKC-DEOSSOPVSA-N	414.505	5.436	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](OCC3CC3)C2)cc1Cl	429171951	PTJGESUUFLIGRG-IFMALSPDSA-N	423.944	5.418	30	20	HKED	
COCc1nc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cs1	432426646	SZVFZCUUEKKTHM-UHFFFAOYSA-N	419.428	5.584	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccncc1	435126793	QYIJMQDTXSJUHC-MSOLQXFVSA-N	407.949	5.136	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C	437931701	KURWVXPZCCEYCD-RLLQIKCJSA-N	413.587	5.111	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	438045024	QFWLJJIJDBBOAZ-LAUBAEHRSA-N	413.562	5.808	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438666424	QEXYKKPPGWPQJN-LJQANCHMSA-N	421.497	6.092	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)N(CCC#N)c1ccccc1	439572520	NISUSXOBPYGAKH-LJQANCHMSA-N	410.477	5.098	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)NCC2CCC(C#N)CC2)nc1-c1ccc(Cl)cc1	440997172	IUCBJBUPHRKLDP-IUDNXUCKSA-N	416.978	5.462	30	20	HKED	
C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1cccc(C#N)c1	442908846	OXHFTTGEAIABHN-GJZGRUSLSA-N	411.962	5.268	30	20	HKED	
N#Cc1cccc(/C=C/c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)c1	445371318	WWCJACXLXSVWFS-NTEUORMPSA-N	422.444	5.085	30	20	HKED	
CCc1noc(CC)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	446002605	MTPOMRKVQHBALL-UHFFFAOYSA-N	409.873	5.298	30	20	HKED	
N#Cc1c(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)sc2c1CCCCCC2	448196361	JXDFGDDETWHRIU-UHFFFAOYSA-N	423.416	5.458	30	20	HKED	
C=C(C)Cn1c(-c2cccnc2)nnc1N(Cc1cccs1)Cc1cccs1	460804791	PBIGXTVISYGZKY-UHFFFAOYSA-N	407.568	5.246	30	20	HKED	
COc1ccc(-c2cc(NC(=O)[C@@H](C)c3cccc(C#N)c3)ccc2OC(F)F)cc1	461808159	MEOJYIVSDOBVIO-HNNXBMFYSA-N	422.431	5.577	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	462554627	TZLNEVZVLFOJJH-MEDUHNTESA-N	400.322	5.209	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1F	463234423	UKZOTBRITUBFBP-VWLOTQADSA-N	415.468	5.169	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)c1cccc(C#N)c1	463313652	WLXWETDKXIJAOJ-AWEZNQCLSA-N	403.295	5.001	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	463621256	CYLNBYJQRSHNHH-UHFFFAOYSA-N	417.465	5.156	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2Cl)n1	464948288	DXMRAJJNQMOHTM-XLIONFOSSA-N	407.926	5.375	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSC[C@@H]1CCC2(CCCCC2)O1	466737459	FVXMYLQVJMNECY-MSOLQXFVSA-N	418.628	5.492	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3C)C2)n1	470423100	WZYCENGLADSZJF-GOSISDBHSA-N	417.534	5.019	30	20	HKED	
C=CCN(C(=O)c1ccc(OC)cc1OC(F)F)c1nc(-c2ccccc2)cs1	475474710	WAMAJHGRSMIXOY-UHFFFAOYSA-N	416.449	5.253	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1	475573159	RTBNBORTTDMGEV-HSZRJFAPSA-N	422.960	5.837	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OCc2cscn2)c(OC)c1	476085278	KOMWRULBZDRIDZ-UHFFFAOYSA-N	422.550	5.835	30	20	HKED	
CC(C)(C#N)CCC[S@](=O)Cc1ccc(Oc2cccc(Cl)c2Cl)cc1	476890739	NLZIMZLXOZSWCP-SANMLTNESA-N	410.366	6.364	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@@H](c3cc(F)cc(Br)c3)C3CC3)cc2)CC1	477289553	DIISADSLGCTPIN-LJQANCHMSA-N	413.290	5.024	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1	480382630	JVJOCRXYNDCUQV-UHFFFAOYSA-N	417.962	5.294	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	480581886	TVEXQVINGJOFPP-AVRDEDQJSA-N	422.598	5.113	30	20	HKED	
C=C(C)Cn1c(SCCCOc2cccc(Cl)c2)nnc1-c1ccncc1	481338124	LEEBRPLGSDKDCG-UHFFFAOYSA-N	400.935	5.131	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc(-c2ccc(F)cc2)no1	481363528	KEIVUAFVZYGRDT-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2)cc1	483198481	QNYVLGIXJTXXIX-DEOSSOPVSA-N	406.441	5.720	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nccc2ccccc12	483216746	VNLTTXJPQHJPJF-KRWDZBQOSA-N	423.419	5.867	30	20	HKED	
CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21	504627958	RIDACAUZJAYGRR-KRWDZBQOSA-N	401.329	5.020	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Cl)c(Cl)c1	505911147	ATNXZOXETDZGSO-CQSZACIVSA-N	408.335	5.102	30	20	HKED	
C[C@@H](CCc1ccco1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510023286	LVLMMIKCEKZATP-KKSFZXQISA-N	407.901	5.731	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2	512771173	RSKVDVDNBRKOLT-INIZCTEOSA-N	417.534	5.438	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc2nccc(C)c2c1C	512850359	IWSATKJRJBYDNS-UHFFFAOYSA-N	413.502	6.138	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)NCC(C)(C)CCC#N)c1	513119527	ZPJBGXZDMFVGSO-GOTSBHOMSA-N	405.542	5.265	30	20	HKED	
Cc1c(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)sc2ccc(C#N)cc12	513303182	FGJMRDZWANHFRM-UHFFFAOYSA-N	417.412	5.225	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c(Cl)c1	513687102	LVHCRYSCCRBFIB-HNNXBMFYSA-N	404.297	5.188	30	20	HKED	
N#C[C@H](C(=O)c1cccn1Cc1cccs1)c1nc(-c2ccc(Cl)cc2)cs1	516074203	MCEMATSKOCTBGJ-QGZVFWFLSA-N	423.950	5.865	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2c(F)cccc2F)n1	517460854	AYOITWAMYFGIPN-LBPRGKRZSA-N	415.490	5.592	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1	518140419	POZVKBFDIOQDRE-CYBMUJFWSA-N	418.444	5.619	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1	518388810	PQCASRRHBAORRC-RUZDIDTESA-N	410.533	5.137	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519996756	AJTXGFBAEDDYJG-GOSISDBHSA-N	413.521	5.914	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1Br	520832698	PADVCVGYWCBTCJ-KBPBESRZSA-N	418.360	5.140	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](CN3CCCC3)c3ccccc3)c2)c1	521826010	GCBNHCKMGLUUHF-MHZLTWQESA-N	411.549	5.064	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CCc3cc(F)ccc32)cc1OCC	524680712	RVDODAMBFGBKAU-IBGZPJMESA-N	420.322	5.329	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C)c1ccc(-c2ccccc2)cc1	525715873	IBDZWYFNBMGFGN-UHFFFAOYSA-N	400.478	5.056	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1	530832811	KWLZNACDZZKRPT-QFIPXVFZSA-N	417.896	5.020	30	20	HKED	
C[C@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2S1	533334963	XYAYIJQTFINQFJ-SJORKVTESA-N	411.596	5.410	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl	534814792	BJONSLLQCODLKP-AWEZNQCLSA-N	413.930	5.113	30	20	HKED	
CCN(CC)CCCC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	542027415	YTTKDVMGZWFGSY-LJQANCHMSA-N	416.635	5.304	30	20	HKED	
Cc1ccc(C2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)cn1	542154393	NLIKUJNSHMULFX-UHFFFAOYSA-N	411.505	5.268	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H](c1cccnc1)c1ccc(F)cc1F	548283722	OYVDPEHVAJGTCI-OAQYLSRUSA-N	411.839	5.137	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1C(F)(F)F	548957151	LSQNHHBPWHRMLR-AWEZNQCLSA-N	405.342	5.163	30	20	HKED	
C=CCC(F)(F)c1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1	551033157	ZDTPAJMUZMWEPV-UHFFFAOYSA-N	422.229	5.663	30	20	HKED	
CN(c1ccccc1)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-]	552083675	TWHPMRPAZRIWCA-QHCPKHFHSA-N	414.509	5.887	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(CC#N)CC1	562405576	LVUDRFMZALNKNV-UHFFFAOYSA-N	406.313	5.538	30	20	HKED	
Cc1ccc(-c2nc(Cc3noc(C[C@@H](CC#N)c4ccccc4)n3)cs2)cc1	578614037	FUSPZYPAOLPRSP-LJQANCHMSA-N	400.507	5.332	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)c2ccccc21	582386339	WCNLFKVZVSPSMZ-UHFFFAOYSA-N	422.448	5.244	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3ccc(-c4ccc(Cl)cc4)cc3)CC2)nc1	585742016	MFXKNIMQTRHHBC-UHFFFAOYSA-N	402.929	5.032	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1Cl	603758893	MWVJYHHGZDXIBP-HXUWFJFHSA-N	418.880	5.409	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cnn1C(C)(C)C	604027430	ZMKJHMHZCATYKC-UHFFFAOYSA-N	408.889	5.516	30	20	HKED	
Cc1ccccc1C[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	604175561	IYXAAFZFNYWABO-LJQANCHMSA-N	400.547	5.520	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)c1	605338633	NCAKKYKOOIRBNK-LJQANCHMSA-N	408.420	5.170	30	20	HKED	
Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	608840394	AEOQIZRJRUTRDS-KRWDZBQOSA-N	410.949	5.098	30	20	HKED	
Cc1c(NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)cccc1[N+](=O)[O-]	609432458	QTNUAQSOYZJHTP-MRXNPFEDSA-N	416.437	5.006	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1cccc(O)c1	609451522	ZINPWBLETDHWSJ-GOSISDBHSA-N	415.493	5.376	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc1	609504355	PJQDHFFIETUHRM-UHFFFAOYSA-N	414.896	5.181	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H]2c2cccnc2)c1	609729791	QKBYQZLTFBBIMI-NRFANRHFSA-N	403.869	5.376	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc([N+](=O)[O-])cc1	610044448	UKZKRIQMHWRAAV-UHFFFAOYSA-N	401.422	5.175	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)c2)cc1	610325237	NKSWMWJJUTXJPS-SFHVURJKSA-N	415.493	5.166	30	20	HKED	
C[C@H](NCc1ccc(OCc2ccccc2)c(Br)c1)c1cccc(C#N)c1	610344917	MMJASJJBFIFFBH-KRWDZBQOSA-N	421.338	5.751	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(c3cccnc3)CC2)cc1Cl	611256078	CDIZLAGOOAEXNQ-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
Cc1nnc(SCc2ccc(C#N)cc2Br)n1[C@@H]1CCC[C@@H](C)C1	611492253	DCIPKLKCBUIXCC-MLGOLLRUSA-N	405.365	5.264	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](CC(F)(F)F)c1ccc(Br)cc1	612574883	PANDYCQWEZKXFU-RTBURBONSA-N	423.276	5.981	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1	615000266	LLNUWFGCDDSPSR-QFIPXVFZSA-N	402.519	5.075	30	20	HKED	
COCCN(CCC#N)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1	615867060	ZTWOQDBQOHCWQO-UHFFFAOYSA-N	414.918	5.011	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1	615969665	IURBLKFPFODOIV-UHFFFAOYSA-N	414.933	5.284	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	669964848	GAZLKWWWGCNZLD-KRWDZBQOSA-N	413.477	5.326	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(OCc2ccc(F)cc2)CC1	670197852	QQLQFPDXDZPFSE-UHFFFAOYSA-N	424.520	5.056	30	20	HKED	
C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1	670213810	LANWHKDRHZOXAW-UHFFFAOYSA-N	424.545	5.130	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674447498	RTUXKCCVPJBRFC-FPQZTECRSA-N	419.287	5.008	30	20	HKED	
C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1OC(F)F	675739223	WFAXNFWLHFCMOX-IVZWLZJFSA-N	423.319	5.987	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccnc1SC(F)F	726937673	FXVITXGOSUNGNB-UHFFFAOYSA-N	412.421	5.016	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1cnc(-c2ccccc2)s1)CCCCC3	727253902	MYBFKEWJQBESOS-UHFFFAOYSA-N	420.563	5.041	30	20	HKED	
Cc1cc2nc(-c3ccccc3)cc(C(=O)N(CCC#N)Cc3ccccn3)c2cc1C	728870309	CAVFUHALIDVXPB-UHFFFAOYSA-N	420.516	5.470	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1	729891979	PBURSKIFHSNWLX-ZWKOTPCHSA-N	419.481	5.050	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1Cl	729942585	OHBDPXDOVBEMIR-UHFFFAOYSA-N	421.888	5.703	30	20	HKED	
Cc1nc(CCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)oc1-c1ccccc1	730417146	LHHAZCATTLTHMY-MRXNPFEDSA-N	405.454	5.208	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)Nc1ccccc1Oc1ccccc1	731319772	HDIFFNVDZLEQSR-KRWDZBQOSA-N	419.575	6.682	30	20	HKED	
CCn1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cn1	732528861	BSQRCDVRYYFIHL-UNOMPAQXSA-N	407.901	5.078	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc2ccccc2c1	733080095	DNQVNNWBLCEICY-UHFFFAOYSA-N	407.399	5.547	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccc1Br	733267510	YDKSCSPQVRLTFQ-OAQYLSRUSA-N	403.279	5.015	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1	733793175	LNCNMOWOQBENMC-GFCCVEGCSA-N	413.783	5.560	30	20	HKED	
COc1ccc(CCN(CC(C)(C)C)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1	734310457	YNZXXVJKSUVXQE-UHFFFAOYSA-N	415.990	5.508	30	20	HKED	
Cc1cc(-c2csc(NC(=O)[C@@H](C)C#N)n2)c(C)n1-c1cccc(C(F)(F)F)c1	736666997	KNMGETWNMWZVBY-NSHDSACASA-N	418.444	5.335	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccnc4ccccc34)n2)cc1	741113287	PEPNHEKKZTUSNC-XTXLJPNXSA-N	406.470	5.120	30	20	HKED	
Cc1cccn2c(/C=C/C(=O)c3ccc(Br)cc3Br)cnc12	741469881	YNMORTFOCFFMKE-FNORWQNLSA-N	420.104	5.064	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)CC(F)F)cc1	741852430	OAMYTUYMAVJPEZ-XFFZJAGNSA-N	420.408	5.021	30	20	HKED	
CCOc1cc(/C=C2/CCc3cc(C#N)ccc3C2=O)ccc1OCC(F)(F)F	742438175	TVZDAKMSOHOKPJ-MFOYZWKCSA-N	401.384	5.111	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	742510177	JAYFGTQYXDYEEX-PXNSSMCTSA-N	414.571	5.165	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)n3C)n2)cc1	744062720	WLWHOHTYNKZPSW-IBGZPJMESA-N	413.502	5.314	30	20	HKED	
C[C@H](Oc1cccc(C(=O)/C=C/c2c(OC(F)F)ccc3ccccc23)c1)C(=O)O	745020629	FZWIPFWJCGWXOT-VNDWYCCKSA-N	412.388	5.189	30	20	HKED	
CC[C@H](C)n1c(SCC(=O)O[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1	748684329	KKGPTVJZVFOVQZ-DLBZAZTESA-N	420.538	5.184	30	20	HKED	
Cc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-]	752636250	JOURWIVBNDNZDC-JTSKRJEESA-N	414.465	5.441	30	20	HKED	
COc1ccc(COCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	760969670	PXMGJSQYDUQLGI-OAQYLSRUSA-N	420.534	5.300	30	20	HKED	
N#Cc1cc(NC(=O)CCCCc2nc3ccccc3s2)c(Cl)c([N+](=O)[O-])c1	764300872	DVUCFMSFOXQEPD-UHFFFAOYSA-N	414.874	5.081	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)c2)s1	765272079	VUTIPCIVIBWZLZ-IFMALSPDSA-N	417.534	5.006	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc2c(c1)CCCC2)c1nc(-c2ccncc2)cs1	766327722	XALGMYDBEPKMCH-OAQYLSRUSA-N	417.534	5.119	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12	769547095	SJTTZZJMWKPOCT-INIZCTEOSA-N	423.900	5.091	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)c1	772985778	YUEZNKBODLOSOX-IRLDBZIGSA-N	417.578	5.967	30	20	HKED	
C[C@@H](N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(OCC#N)cc1	776156405	MDSIQFINKZTBHW-HOYKHHGWSA-N	414.484	5.170	30	20	HKED	
CN(C)C1CCN(c2ccc(NC3CCC(C#N)(c4ccccc4)CC3)cc2)CC1	776255319	BSHHPYAQSFPCMB-UHFFFAOYSA-N	402.586	5.033	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2ncsc2c1	776904469	UZCYXLFXPNCUCO-IIBYNOLFSA-N	412.518	5.834	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C34CC(C(F)(F)F)(C3)C4)cc2Cl)cc1	786808407	IGCAKIKDCXBERK-UHFFFAOYSA-N	406.791	5.675	30	20	HKED	
O=C(OCCOCC(F)(F)C(F)F)c1c(Cl)cc(C(F)(F)F)cc1Cl	787651599	LJEVYAOVYIVKJV-UHFFFAOYSA-N	417.104	5.086	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1ccc(SCC(F)(F)F)cc1	788025509	ABESZRMXCLOTJS-UHFFFAOYSA-N	409.462	5.091	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1	795982880	ITNZCZATVCXRFN-AWEZNQCLSA-N	416.264	5.174	30	20	HKED	
Cc1nn(-c2ccccn2)c(C)c1/C=C/C(=O)c1c[nH]c2cc(Br)ccc12	802703953	GHXAQRNUQXUOKG-CMDGGOBGSA-N	421.298	5.024	30	20	HKED	
C[C@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)cc1	806424858	XHARBQVYURZPQY-UWJYYQICSA-N	421.541	5.028	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C2CCCC2)cc1	810531695	OTCDRJRRMJVNES-QGZVFWFLSA-N	401.293	5.612	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1	811364528	TWZBKOYDQZRAFH-UHFFFAOYSA-N	406.498	5.629	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)cc2)ccn1	813278372	GLSUDUOIGBWBAN-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
CCCOc1ccc(C=NO[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC	852087537	MQZZLFTWILLMRE-MRXNPFEDSA-N	418.921	5.132	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)o2)cc1	915087571	WBNYTZJIKKOTJL-DEOSSOPVSA-N	421.500	5.877	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](CC)c2ccccc2OC)cc1OC	915228566	GZBNZRCSBOCCFN-GOSISDBHSA-N	420.347	5.272	30	20	HKED	
CSc1nccn1-c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	916052035	XSTNHDSBPZAAGA-QHCPKHFHSA-N	424.529	5.502	30	20	HKED	
COc1cc([C@@H](C)NC(=O)/C=C/c2ccccc2C#N)ccc1OCc1ccccc1	917764276	VMOGKRINHOFKEM-OCKXMSAZSA-N	412.489	5.036	30	20	HKED	
Fc1ccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	918722054	VRARZFNDEDNLMD-OCAPTIKFSA-N	408.770	5.239	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920139099	NFAPOICEHCZTKM-AUUYWEPGSA-N	424.547	5.184	30	20	HKED	
N#CCOc1cccc(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)c1	920232250	JJPYJBYBLQOXNP-UHFFFAOYSA-N	417.431	5.241	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1	1789624070	HGYWDTYCMLWURM-UHFFFAOYSA-N	408.542	5.339	30	20	HKED	
C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(CCCCC)cc2)C3)C1	1792500202	VFKPUUOUKOTMPS-DTFQXJCCSA-N	420.597	5.037	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C)CC2)n[nH]1	1822944212	GBMUAGRAOHVEBH-BJLQDIEVSA-N	414.594	5.221	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)cc1	10173567	YWPONQLDGSCLMI-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)c1	22729149	KABGMEORDMSHIP-UHFFFAOYSA-O	423.627	6.001	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccco1	29548634	ZWKDOUGMIICPMZ-JKSUJKDBSA-N	410.543	5.357	30	20	HKED	
C=CCN(C(=O)c1nc(SC)n2ccccc12)c1nc(-c2ccccc2)cs1	60550828	CUCDRTDWWPDTDE-UHFFFAOYSA-N	406.536	5.013	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(C#N)c1	65079599	KDZRRFINBAOWGL-UHFFFAOYSA-N	423.394	5.390	30	20	HKED	
N#CCCCOc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1	207588963	JKMZLWWBHDQURZ-JXAWBTAJSA-N	424.913	5.210	30	20	HKED	
CC(C)(C)OCc1cccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1	236575700	FLLHZERWHPGCJG-UHFFFAOYSA-N	402.542	5.069	30	20	HKED	
C[C@@H](Nc1ccc(C#N)c(N[C@H](C)c2nc3ccccc3[nH]2)n1)c1nc2ccccc2[nH]1	302859262	UEDOMYAZEKISFM-HUUCEWRRSA-N	422.496	5.052	30	20	HKED	
CCn1cc(CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c2ccccc21	303244893	LKAMLWDHTJVRTQ-VWLOTQADSA-N	423.516	5.164	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1	303644616	RVOMHXHUVJTCFI-UHFFFAOYSA-N	403.869	5.035	30	20	HKED	
COc1ccc2sc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c(C)c2c1	303835643	AQOYKDGAUQULSM-UHFFFAOYSA-N	403.425	5.019	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl	409471684	ZDLPAPUMSNTLGT-UHFFFAOYSA-N	422.916	5.481	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)s1	430580970	IGXKTCPTZLNOGC-HNNXBMFYSA-N	409.536	5.244	30	20	HKED	
COc1cccc(/C=C(/CC(=O)NCC2(CC#N)CC2)c2nc3ccccc3s2)c1	431144823	DKSNXLLYXXAJEY-AQTBWJFISA-N	417.534	5.046	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)N(C)Cc1ccc(C#N)cc1	431723609	PZDUZKFOXGUGFX-UHFFFAOYSA-N	417.534	5.523	30	20	HKED	
CC1CCN([C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)c2cccs2)CC1	431726054	FOMVPUAQKHAHJS-YADHBBJMSA-N	424.614	5.255	30	20	HKED	
CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437473192	GIEARPCBHXVVLI-UHFFFAOYSA-N	424.501	5.172	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1F	437477158	WRVCFFQMHQUKJG-QFIPXVFZSA-N	404.466	5.459	30	20	HKED	
CC(C)(C)c1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n(C(C)(C)C)n1	437971822	QLFIDIOXKWMXBQ-OALUTQOASA-N	407.562	5.239	30	20	HKED	
C=CCC[C@H](NC(=O)c1cc(NC(C)=O)ccc1F)c1ccc(C(F)(F)F)cc1	441552774	RMINNEMFDVUJSZ-IBGZPJMESA-N	408.395	5.240	30	20	HKED	
C[C@H](c1cccc(C#N)c1)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1	442690338	JIZNMVAQEJXMNV-QGZVFWFLSA-N	401.476	5.234	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)COCCc1ccccc1	460170445	LDONQVRXXITJRH-UHFFFAOYSA-N	404.897	5.004	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N(Cc1ccc(F)cc1)CC(F)(F)F	460458540	HCJWKOIFOMDEGI-IAGOWNOFSA-N	419.340	5.539	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)CCSCC	460948347	JAUMNYGTEAUBOI-GIVPXCGWSA-N	414.619	5.067	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(Br)c1)c1cc(C(F)(F)F)ccn1	464422164	PYKQHCDRNQPJNN-JTQLQIEISA-N	403.585	5.006	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1	466262675	YLJQXJKPTLJGCP-UHFFFAOYSA-N	411.505	5.132	30	20	HKED	
CC1(C)CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	466707539	UIRXHQBZMWJKOG-CTNGQTDRSA-N	423.944	5.019	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1Cl	467610853	OOPIUFVGUDAMSR-QGZVFWFLSA-N	415.831	5.101	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1	475011191	YTPCHLQNKSVZGD-GOSISDBHSA-N	424.570	5.163	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)c1ccccc1	476665920	IHDJKQKMKRBWIJ-VXKWHMMOSA-N	414.509	5.268	30	20	HKED	
Cc1nc([C@H](C)n2c(C)nnc2-c2cccc(C#N)c2)oc1-c1ccc(Cl)cc1	477364630	NLYVWBSYUOLFLR-AWEZNQCLSA-N	403.873	5.351	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(F)c(F)c1	477742629	MIWMABMQKMBSSB-HVETUWLQSA-N	400.469	5.049	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)N(C)c2cc(Cl)ccc2C#N)c1	479571902	XTLDPUZAFYJMRI-UHFFFAOYSA-N	407.695	5.038	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1ccccc1[N+](=O)[O-]	481341194	PEYWDLUORDIBKS-MRXNPFEDSA-N	410.499	5.113	30	20	HKED	
C=CCn1c(S[C@@H](C)Cc2ccc3ccccc3n2)nnc1-c1ccccc1OC	481737530	PCEMYAOADMOBGZ-KRWDZBQOSA-N	416.550	5.411	30	20	HKED	
O=C(N[C@@H]1CCCC(F)(F)C1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482404841	XDHNMKOSIYNMIU-BXKDBHETSA-N	404.301	5.186	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482407538	MWSDUPJALROOKC-ABKXIKBNSA-N	408.317	5.249	30	20	HKED	
C=CCSc1ccccc1C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F	485747454	WSWAGOYIXYKLKI-UHFFFAOYSA-N	422.472	5.084	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@]2(C)[C@H](C1)C2(F)F)c1ccc(C(F)(F)F)cc1	489756181	RXBCHGFKMWXQPL-BQFCYCMXSA-N	402.407	5.399	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1	490711332	UZEHZDBOIYWSSC-UHFFFAOYSA-N	409.493	5.148	30	20	HKED	
CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2cc(C#N)ccc2Br)c1	492397261	KAEUCXHLSSSZEQ-UHFFFAOYSA-N	420.738	5.067	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	494028822	TWVYYLXPWRFCJK-OAHLLOKOSA-N	410.499	5.043	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(F)cc1Br	497450677	MHPMNHYSWUJJQH-KXBFYZLASA-N	416.294	5.200	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc2cccc(C)c2[nH]1	499333902	VEVMIMUGZFCBKR-UHFFFAOYSA-N	411.465	5.165	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1c(Cl)cccc1Cl	499812383	NHOWVFFWYRUIEF-XEZPLFJOSA-N	424.125	5.240	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1	504162575	GOTJPRYNBAMTRW-QGZVFWFLSA-N	418.566	5.673	30	20	HKED	
C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1	504338616	MJTAZSXFMFCCBD-UHFFFAOYSA-N	414.505	5.099	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)CCC(C)C)cc3)o2)cc1	505182419	SCVBFVCSCKJMAY-UHFFFAOYSA-N	402.498	5.114	30	20	HKED	
C[C@@H](c1ccccc1Br)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1	506351509	NLTLDBBXHPQTKF-KXBFYZLASA-N	400.320	5.197	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1	510255548	MHOZNOBOEDLIGB-UHFFFAOYSA-N	412.445	5.534	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@H](n2ncc3ccccc32)C1	510930365	OLVYCETYDUDGKG-HXUWFJFHSA-N	424.529	5.146	30	20	HKED	
CCC[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(Cl)c(Cl)c1	513389537	VAJAKYMDNPQZOQ-IBGZPJMESA-N	420.340	5.173	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(F)cc4)n3)n2)cc1	514217738	HCMGIAKFSXHUKW-QGZVFWFLSA-N	419.506	5.871	30	20	HKED	
COc1ccsc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	517327605	PHUJCAVZXAABON-LLVKDONJSA-N	409.319	5.677	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	517457372	PIAGVJUSKBRTRZ-CYBMUJFWSA-N	423.519	5.043	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccco1	519451280	XGSNULGSJAZIBV-FUHWJXTLSA-N	401.532	5.067	30	20	HKED	
COc1ccccc1CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1	519987871	UPOZGCFYDBZLQU-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	521205529	HBDVZMLUAJIZGK-UHFFFAOYSA-N	411.811	5.207	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	521326527	WKWCRDVUDKQSSE-IBGZPJMESA-N	413.521	6.222	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCO[C@@H]1CCCC[C@H]1C	524438336	AHXXQRHHZNFICX-HOYKHHGWSA-N	421.541	5.163	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	524699764	RGUAVUJUCIESGO-OAHLLOKOSA-N	417.490	5.173	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccsc1)c1ccccc1	533505360	PPHCMSDDJUYIRU-SFHVURJKSA-N	421.591	5.788	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(C2CC2)n1	533887811	HNXYXOFPDOPCRL-UHFFFAOYSA-N	418.975	5.323	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1C(F)F	533999185	JIXNLHBVCGUVFQ-UHFFFAOYSA-N	406.502	5.321	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	539468574	UGKZIYSFFREYHG-SFHVURJKSA-N	403.511	5.038	30	20	HKED	
Cc1cccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2Cc2ccco2)c1	539670031	CBPWPBVKAFCPPV-UHFFFAOYSA-N	422.554	5.088	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)nn1-c1ccc(Cl)cc1Cl	540681738	KLJMTURTPMNHNK-ZDUSSCGKSA-N	411.248	5.119	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccccc3OCc3cccc(Cl)c3)cc2)CC1	540721539	RQTAEHZQQPYTOG-UHFFFAOYSA-N	402.881	5.726	30	20	HKED	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1	542909744	XKSDXNTYIRPNMB-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1	548858577	NZOICMCQRCKIQU-UHFFFAOYSA-N	400.507	5.009	30	20	HKED	
C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	550898909	MEPQWYYCANZKLZ-QGZVFWFLSA-N	408.461	5.111	30	20	HKED	
CC(C)C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1	554461395	AXRVMPJZAKYFAY-JOCHJYFZSA-N	409.505	5.038	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)o2)cc1	558594261	OPLIODZMDOTMQP-UHFFFAOYSA-N	413.521	5.337	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C1CC1	568338940	LDZOOKZJPYXIGJ-OAHLLOKOSA-N	401.470	5.043	30	20	HKED	
CCC[C@@]1(CO)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	569503409	SWXVNZBXYXUTPE-JOCHJYFZSA-N	413.905	5.020	30	20	HKED	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(C)(C)CCC#N)c1	578258149	ZTSCYTYVVYWJKO-UHFFFAOYSA-N	404.489	5.047	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1	583313408	NMQQWSAAFMGOJL-UHFFFAOYSA-N	418.541	5.014	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@H](Sc1cccc(F)c1C#N)c1ccccc1	583484035	CIYWZRTUBBKUME-JOCHJYFZSA-N	406.482	5.487	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(SCc2ccc(Br)cc2C#N)o1	588103630	VBZULXQDVUQIGO-KRWDZBQOSA-N	414.328	5.538	30	20	HKED	
C=CCN(C(=O)c1cccnc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	594426892	PTWLYJOQDNDGHB-UHFFFAOYSA-N	411.530	6.013	30	20	HKED	
CSCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)oc2ccccc12	603613669	JYRXQHHGDVOKPI-MRXNPFEDSA-N	404.516	5.909	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Oc3cccnc3)cc2)cc1	604523288	UYWWJYWEHOAWHU-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
C=CCc1cc(CN[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)cc(OC)c1O	606913966	DLSKBTQMSHJCSC-DEOSSOPVSA-N	423.940	5.671	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(C(C)(C)C)n1	609060402	CVPFPTFAERSIMI-UHFFFAOYSA-N	405.523	5.452	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](Cc4ccccc4)C3)cn2)cc1	609281518	NMVLJNOGOHCYTC-OAQYLSRUSA-N	412.493	5.232	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	609501431	PLTDOJOYMCRNIE-UHFFFAOYSA-N	401.491	5.346	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(ccc3ccccc32)[nH]1)c1ccccc1Br	609591524	ORVPULMYVGJIDV-HXUWFJFHSA-N	404.267	5.078	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	609968485	JRISNLVMZZGEQM-GOSISDBHSA-N	404.460	5.244	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(-c4n[nH]c(C5CC5)n4)c3)c2)cc1	609988908	OGKQJPAWWPDBGY-UHFFFAOYSA-N	420.476	5.217	30	20	HKED	
CC(C)CC[C@@](C)(O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610141388	DVYGUTQQAFMSBU-NFBKMPQASA-N	413.949	5.304	30	20	HKED	
Cc1ccc(-c2nc(Cc3noc(-c4cc5ccccc5n4CC#N)n3)cs2)cc1	612881682	CZFYOXLBAQLXLI-UHFFFAOYSA-N	411.490	5.238	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N1CCC[C@](C)(C#N)C1	613503608	SXFCKLFWYOQJCX-JOCHJYFZSA-N	410.905	5.058	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(F)c1	619539377	YCRNYIRXJLAULX-UHFFFAOYSA-N	420.391	5.161	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccc(F)cc4s3)n2)cc1	619756449	LFOLWHZGXPFOIO-INIZCTEOSA-N	408.479	5.663	30	20	HKED	
COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	620688339	OUUKANXJPASEOC-UHFFFAOYSA-N	409.301	5.058	30	20	HKED	
O=C(CCSc1ccccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642158767	VSJZYEOWZWGNBW-GDNZZTSVSA-N	417.390	5.334	30	20	HKED	
C[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	674441749	CPPBZNCDSIHZMA-UWJYBYFXSA-N	407.276	5.008	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)nn1-c1ccc(Cl)cc1Cl	678970791	XQLVZMBJNWVMPP-MRXNPFEDSA-N	421.287	5.526	30	20	HKED	
Cc1[nH]c2ccccc2c1C1=CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1	726478118	AOUUGGPRWBYZLF-UHFFFAOYSA-N	406.942	5.488	30	20	HKED	
N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)c1	726801320	GUIWWIGJHYOOMO-QGOAFFKASA-N	414.939	5.428	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1	726940285	PTPGIIGTNNAGGB-UHFFFAOYSA-N	401.944	5.323	30	20	HKED	
Cc1cccc(-c2noc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)c1	728202289	ZUFRZODCLUVMPD-UHFFFAOYSA-N	414.440	5.247	30	20	HKED	
CC(C)[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	728766899	OTTRZHOJAPECPG-MOPGFXCFSA-N	416.493	5.479	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2cccnc2C)C(=O)c2ccccc2)c(Cl)c1	728785579	HJRPNAIODRINKV-XSFVSMFZSA-N	404.897	5.565	30	20	HKED	
CCCCc1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731962129	IMUXUQCTVLMCRZ-RUZDIDTESA-N	418.562	5.441	30	20	HKED	
N#CCOc1ccc(COC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1	733378664	RSOZBXFRPRWXCI-UHFFFAOYSA-N	413.429	5.271	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	735014757	FPCURXXNYMWFDY-UHFFFAOYSA-N	416.289	5.431	30	20	HKED	
C[C@@H](Sc1nnc(CSc2nc3ccccc3s2)n1C)c1ccc(C#N)cc1	735616978	PSAFJMDSNFZKCL-CYBMUJFWSA-N	423.592	5.442	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(-c2ccco2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S	739841730	PHNAUVKVPUYTSZ-YDZRNGNQSA-N	413.591	5.253	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C)c1ccncc1	740481540	ZIIYFIAPKVQJFL-RXVVDRJESA-N	420.582	5.842	30	20	HKED	
CC(C)(CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	743446968	IHOCWUBBPIKTSC-HNNXBMFYSA-N	402.441	5.859	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2Cl)cs1)c1ccc(F)cc1F	745998258	NOYJWKKDDAJBDB-VQHVLOKHSA-N	418.852	5.655	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)s1	749000282	WRTYZFKJRYOMRX-VGOFMYFVSA-N	413.886	5.461	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)N[C@@H](C#N)c3cccc(Br)c3)ccc2c1	749615189	KXYIJMMMQAYQAY-PNWMKBJFSA-N	421.294	5.005	30	20	HKED	
Cc1nn(C)c2ncc(/C=C(\C(=O)c3nc4ccccc4s3)c3ccccc3)cc12	750901984	HECPYOOBRBAANH-UYRXBGFRSA-N	410.502	5.310	30	20	HKED	
C[C@@H](CC#N)NC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1	751392911	KVRHGEMBMHOZRD-RMDTYCCRSA-N	402.519	5.286	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1	752278733	UVXHAZGASPYHRY-BEFAXECRSA-N	408.548	5.013	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2ccc(F)cc2)CC1	752340916	RKTUASGNFLLZQM-QGZVFWFLSA-N	411.546	5.038	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1c(Cl)cc(C#N)cc1Cl	754415379	DIHPZEJMDFBOOE-SECBINFHSA-N	402.108	5.533	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(Cl)c1	754426865	MJKNVKLJWAADBR-IBGZPJMESA-N	423.727	5.104	30	20	HKED	
CC[C@H](C)c1ccc(-c2cc(C(=O)NC3(C#N)CCOCC3)c3ccccc3n2)cc1	757965340	GLBPNKZICNVEHP-SFHVURJKSA-N	413.521	5.218	30	20	HKED	
Cc1cccnc1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	760185169	YRYNMKQIVXSHSL-LFAOLKIESA-N	414.317	5.710	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(Cl)cc3C(=O)c3ccccc3)o2)c1	760450628	TVWALFHMFQNADD-UHFFFAOYSA-N	414.852	5.105	30	20	HKED	
Fc1ccc2nc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)sc2c1	761750279	YOKVWQOKLWEIEB-UHFFFAOYSA-N	424.313	5.172	30	20	HKED	
C=CCOc1ccc(CNc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cc1OC	770583550	ZOVGQCVUICONDB-UHFFFAOYSA-N	424.541	5.400	30	20	HKED	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N(CCC#N)Cc2cccnc2)cc1	772146006	KQOYGGUTZRJRKA-UHFFFAOYSA-N	412.497	5.119	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCSc3ccc(Cl)cc32)ccc1OC	772986770	QNFFXEHCEQEVEO-AEFFLSMTSA-N	402.947	5.356	30	20	HKED	
O=C1C/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)C(=O)c2ccccc2N1	774140074	DPPBXWPLFVGPHT-UKTHLTGXSA-N	414.408	5.437	30	20	HKED	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	777296982	MVNJTCLTFPUHEZ-RBZFPXEDSA-N	421.950	5.209	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C)c(-c3ccccc3)[nH]2)cc1	777587881	NUVMHQOJFOGXED-SFHVURJKSA-N	404.539	5.121	30	20	HKED	
CC(C)[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)N1CCCCC1	778606488	GOVGQWXLIICIHS-PBHICJAKSA-N	409.477	5.002	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cnc(-c4ccncc4)s3)cc2F)c1	779595652	KPOOSUMSJZZORA-UHFFFAOYSA-N	416.481	5.407	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C	780668055	QOCIVIFIDZEKSF-CHWSQXEVSA-N	404.297	5.435	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1	780671317	UGBXWYXTXMBNGD-NYHFZMIOSA-N	423.875	5.681	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H](C)c1ccccc1C(F)(F)F	780672540	GCLFKHVEKMAHJA-KFWWJZLASA-N	405.420	5.310	30	20	HKED	
N#Cc1ccc(CN[C@@H](CCCc2ccc(Br)cc2)c2ccccc2)nc1	783294837	WYLJWDPEZDCUMM-QHCPKHFHSA-N	420.354	5.570	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(Br)cc2C(F)(F)F)cc1C#N	790679870	ZDYSSRABCVAHAB-NSHDSACASA-N	413.237	5.199	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1	791202423	UKEDBUYJRCSIRD-CTNGQTDRSA-N	415.320	5.315	30	20	HKED	
N#CC[C@H](CC(=O)OCc1cc(Br)cc2cccnc12)c1ccccc1	795987512	DCCDZLKVIJGUIN-MRXNPFEDSA-N	409.283	5.128	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(Cc3ccccc3Br)CC2)s1	797217393	BTPDJLZWRMEJJO-AWEZNQCLSA-N	417.372	5.402	30	20	HKED	
N#C[C@H](C(=O)CC1CC(c2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1Cl	798815621	BBHXKCYUBNQSPT-PUJMQQBBSA-N	401.293	5.225	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1csc(-c2cccs2)n1	800384109	PUHRXAYBAFXCMI-OAHLLOKOSA-N	403.532	5.574	30	20	HKED	
Cc1oc(C(C)C)cc1C(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	802800325	QBDVYMYANVHLIQ-BDJLRTHQSA-N	407.297	5.218	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Br)ncc2Cl)sc2c1CCCCCC2	808285628	QHZNMGKKKVSVEB-UHFFFAOYSA-N	424.751	5.342	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)c1	864006465	LWRWEJHCMGJOLP-UHFFFAOYSA-N	407.315	5.133	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNCc1cccc2cccnc12	915963407	VWAGWXZCAMMNFU-UHFFFAOYSA-N	424.335	5.219	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1	915990468	LJXLEYUCMXZNLL-QDEBKDIKSA-N	421.380	5.049	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)cc1	916138619	ZVYGIGSASVXGNH-JXMROGBWSA-N	410.926	5.196	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2ccccc2C(F)(F)F)cs1	916260145	ZJCDEFKUZGIEHJ-UHFFFAOYSA-N	404.417	5.293	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)nc2ccccc21	916627401	RPMNACSPBAHXTE-MTMYEVCSSA-N	401.466	5.191	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc2cccc(Cl)c2c1Cl	916913254	VVFVKEIVUHGPOE-SECBINFHSA-N	423.708	5.823	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	916942150	GTJXVHWENAMSRZ-KRWDZBQOSA-N	407.322	5.132	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2cccc(OC3CCCC3)c2)cc1	917518226	WLMHJMKTLFKXQK-ZROIWOOFSA-N	402.494	5.217	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	919859062	YUVIDVHFJVNYRC-AUWJEWJLSA-N	401.853	5.116	30	20	HKED	
N#C[C@H]1C(CN2CCC[C@H]2c2cccc3ccccc23)=CC(=O)n2c1nc1ccccc12	920087871	HRPGPCVCEYLQGE-UPVQGACJSA-N	418.500	5.214	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	920113106	PUUKQMIFGZFCJS-YJBOKZPZSA-N	409.436	5.126	30	20	HKED	
Cc1ccc(OCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)c1	920806774	POVLNTCAOZAZQO-OAHLLOKOSA-N	412.461	5.351	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4n3C)cc2)CCC1	1788887326	YRAAKOOCBGUOQD-SFHVURJKSA-N	415.537	5.138	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1	1791582390	SBAKWULGBMUHDS-UHFFFAOYSA-N	420.553	5.437	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3cccs3)cc2)CCC1)C(F)(F)F	1791815046	FFXCPOKDNAGUFY-CYBMUJFWSA-N	422.472	5.104	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1829066040	MJGKCAVQFNERDQ-HSZRJFAPSA-N	416.650	5.569	30	20	HKED	
Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1	10167478	YQYVLBWMLHHFPO-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1-c1ccc(F)cc1	31844029	BWEPQLUABVRXBJ-UHFFFAOYSA-N	419.529	5.365	30	20	HKED	
Cc1nc2cc(F)ccc2cc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	32039951	XJNRDEFUDGZNDB-RYUDHWBXSA-N	422.344	5.322	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2c1C(=O)CCC2	51677877	LVYSYSNZXYUNMF-LLVKDONJSA-N	418.396	5.226	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1	55823827	LQXHBTJFWAYIGP-GOTSBHOMSA-N	400.453	5.213	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)c(Br)cc1O	72042104	GJVGVRNBNFXYFE-VOTSOKGWSA-N	410.333	5.122	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c2c1	108695630	IBESJOBUBWGTGV-UHFFFAOYSA-N	411.461	5.074	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(Cc2ccccc2)Cc2ccco2)cc1OC	215507805	HQAJNAZNTDETPB-OWBHPGMISA-N	403.478	5.095	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccccc1F	216612011	YAMCHXZKHIRYKJ-AWEZNQCLSA-N	407.474	5.174	30	20	HKED	
CC(=NOCc1csc(-c2ccc(C)o2)n1)c1nc2ccccc2n1C(F)F	252467492	OOJMYGOZXQPXAU-UHFFFAOYSA-N	402.426	5.397	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1	303302643	CZBIROXYUJGZKN-CQSZACIVSA-N	422.381	5.316	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccccc1Cl	303393631	PGGKVEBFDGBVOX-AEFFLSMTSA-N	413.974	5.831	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	303417454	XAMSUYJOMQDULD-GCJKJVERSA-N	423.582	5.255	30	20	HKED	
Cc1cccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C	303608976	BMLYPFWWWCPCPZ-QFIPXVFZSA-N	400.482	5.573	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1	303675957	QKCWBXZFQNMBSR-QFIPXVFZSA-N	404.535	5.269	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c1	429935472	DQCFBSFFMOXCGL-UHFFFAOYSA-N	409.898	5.182	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	435452810	PWTGSKIWNHCHBF-UHFFFAOYSA-N	414.292	6.010	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl)c1ccccc1	435602475	DDTOHWXLIBLRQT-HXUWFJFHSA-N	413.949	5.649	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436031577	KODKUBOCFPJQNU-QEIKUCIBSA-N	421.303	5.794	30	20	HKED	
CC[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1	437558820	NNXHDXNRSKZPRT-OAQYLSRUSA-N	416.443	5.141	30	20	HKED	
C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1	439506166	ZWHFRQYUKDSTOD-SFHVURJKSA-N	405.498	5.299	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)cs1	442669540	GXBVARIOYURJPL-GOSISDBHSA-N	401.516	5.732	30	20	HKED	
N#C[C@H](C(=O)c1ccc(F)c(Br)c1)c1nc(-c2ccccc2)cs1	442672660	OSACFVQPVKJZMO-CYBMUJFWSA-N	401.260	5.202	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCCO)[C@H]1CCCc2ccccc21	443901849	ALPJQALLRJFCPL-AVRDEDQJSA-N	423.582	5.375	30	20	HKED	
COC(=O)c1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	444736083	PSWRRAHNVCRNMR-INIZCTEOSA-N	423.328	5.414	30	20	HKED	
C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc(C)s1	460776099	BNXOZCVWEYNHMI-FXAWDEMLSA-N	422.554	5.078	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	463291657	XNRFMHASAOPOJK-LJQANCHMSA-N	416.496	5.678	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc1	463502110	PEJFHVJTWFGSBQ-UHFFFAOYSA-N	415.415	5.156	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	464468807	QPHBTQIIBSRVOJ-IBGZPJMESA-N	408.379	5.130	30	20	HKED	
COCCOc1ccc(F)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	464925483	FBMHFCTZFDPLLQ-UHFFFAOYSA-N	420.440	5.076	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(-n2cccn2)c1	465210558	ZGRYNUFYVSWCSN-GOSISDBHSA-N	408.461	5.027	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1	466094551	DIEXILQAMODELL-ISKFKSNPSA-N	403.526	5.422	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466515212	NLGPQRGHYQLINX-AWEZNQCLSA-N	422.392	5.550	30	20	HKED	
Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)C[C@@H](CC#N)c2ccccc2)c1	466632347	IAUXBWYAGSGLQI-OAQYLSRUSA-N	403.913	5.664	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3cnn(CC(F)F)c3)cc2Cl)cc1	467617532	OUCBIZQEPRZFJG-UHFFFAOYSA-N	417.803	5.110	30	20	HKED	
N#C[C@H](C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ccccn1	467841884	WLUNJSHIKCGBKL-INIZCTEOSA-N	409.854	5.284	30	20	HKED	
CC1(C)[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@H]1OCc1ccccc1	469293061	VOEDSWAUSPLPCK-DNQXCXABSA-N	417.553	5.065	30	20	HKED	
C[C@@H](CN(C)C(=O)c1cccc(SCC#N)c1)Oc1ccc(Cl)c(Cl)c1	469515556	PBHLGHHGDHCAAU-ZDUSSCGKSA-N	409.338	5.149	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CC2(CSc3ccccc3)CC2)c1C	472343367	DDESDPFQKZFDBB-UHFFFAOYSA-N	416.550	5.262	30	20	HKED	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1	473639006	HDVDZVYQZHGWJD-QTEAWJPNSA-N	416.546	5.049	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1	474428566	RHROCYNLHAXUCZ-KRWDZBQOSA-N	401.432	5.332	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)sc2nc(C(F)(F)F)ccc12	474437039	FWGMBMVMOIBDTC-NSHDSACASA-N	409.458	5.694	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1	475012921	AVWYJFQREHFZAT-SFHVURJKSA-N	423.944	5.429	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1nc(-c2ccc(F)cc2)cs1	475877870	BYMZBCZSRZMDAH-UHFFFAOYSA-N	407.514	5.048	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1	478332920	GJPMIHUZWJDNJH-UHFFFAOYSA-N	420.444	5.759	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)cc1	479809589	QQTVKGQPOZJTPU-UHFFFAOYSA-N	424.485	5.544	30	20	HKED	
Cc1ccccc1-n1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cn1	482268114	LMIMZLDVFJUDLT-UHFFFAOYSA-N	410.502	5.132	30	20	HKED	
CCOCCOCc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	482817440	MUOXFWCAYBNZFY-UHFFFAOYSA-N	416.477	5.156	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1ccccc1F	483619128	GLNPUDSAHFMUPC-CVEARBPZSA-N	401.507	5.057	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)NCc2ccc(C#N)c(F)c2)cc1OC	484094007	NSHAXNDEFBNERZ-HSZRJFAPSA-N	404.485	5.097	30	20	HKED	
Cc1cc(C(=O)CSc2nc(C(F)(F)F)ccc2C#N)c(C)n1Cc1ccco1	488767338	WACDSNKUQPAICV-UHFFFAOYSA-N	419.428	5.007	30	20	HKED	
C=C(C)Cn1c(SCc2cc(Br)ccc2F)nnc1-c1ccncc1	489437854	WUHDXDKGIUOIOH-UHFFFAOYSA-N	419.323	5.110	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1	490545406	IFNLRFRYTFGFCW-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCC)[C@@H](C)CC(=O)Nc1ccccc1	504786066	NLVYHWCNGVHXOF-FQEVSTJZSA-N	421.585	6.200	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@H](C#N)c3ccccc3Cl)c3c(C)noc3n2)c(C)o1	505694306	LUWFFMXMLGZHNG-LJQANCHMSA-N	420.856	5.056	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1	510065083	HRRYMGSKJPZIPG-UHFFFAOYSA-N	411.505	5.224	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1	510519777	JBUASVQQXDDRSH-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
N#Cc1ccc(CNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1	510586715	BALRURJRGQQUPX-UHFFFAOYSA-N	424.529	5.024	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(OCc2ccccn2)c1	510590136	WUUOBSGRYXIBLY-SFHVURJKSA-N	414.509	5.344	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)Cc1cccc(O)c1	510663224	FOOYSSGHMLCBCT-KRWDZBQOSA-N	401.466	5.117	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)nnc1C1CC1	512781396	QUYDMIPFQPBLQA-LLVKDONJSA-N	421.353	6.157	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2Cl)cc1	513883736	JPZAYBLHUHKDJG-UHFFFAOYSA-N	407.876	5.263	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	514542878	RIHUGSDGFCYRQZ-UHFFFAOYSA-N	416.428	5.364	30	20	HKED	
C=CCc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC	515543717	PXZOHLJWNBNUPV-GOSISDBHSA-N	404.491	5.046	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc2ccccc2c1	518133345	KNTLLOWONMONKT-MSOLQXFVSA-N	420.603	6.524	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	518915573	HLIZFRMWGWXTJN-XMMPIXPASA-N	412.489	5.531	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCN(c4ccccc4)CC3)cc2)c1	520198078	ZZOIWWZXMHPGQX-UHFFFAOYSA-N	412.493	5.095	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CC(c2cccc(F)c2)C1	522215753	RJGDDYRSPFGKST-UHFFFAOYSA-N	401.441	5.325	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	525039103	FOHNMDBVKVTTRI-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2)o1	525177913	FVDRGXXQRSBJQJ-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1	530553358	YWHZRZVTEBCZLZ-NRFANRHFSA-N	400.469	5.422	30	20	HKED	
N#CCC[C@H](NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	533979982	MHAZZLYGWXRLMY-FQEVSTJZSA-N	424.957	5.350	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cccc(Cl)c1Cl	538215138	NRAFLLDNBWJYSN-ZIAGYGMSSA-N	422.381	5.677	30	20	HKED	
C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCCCC1(C#N)CCOCC1	538609985	JFVOLQXJDOPGJV-HDICACEKSA-N	417.981	5.256	30	20	HKED	
C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CC(=O)Nc1ccccc1SCC#N	538960565	ZQRHWOKGBLEXBA-CYBMUJFWSA-N	420.365	5.167	30	20	HKED	
COC[C@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	540163003	IRXDWNXEGTZCFB-SJORKVTESA-N	409.345	5.815	30	20	HKED	
C=CCC[C@H](NCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1	540456744	PAVDVVDWDLCSFP-DEOSSOPVSA-N	419.594	6.242	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H]2CCCC[C@@H]12	541086975	NBZGCSSNRIRRNL-PUZWTLIVSA-N	403.526	5.374	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542014440	MBMLWUVLOHXWFB-NRFANRHFSA-N	411.549	5.912	30	20	HKED	
CC(C)C[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccs1	543485665	GTQZPNCYSHTWPO-FUHWJXTLSA-N	401.601	5.315	30	20	HKED	
C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	544480775	AVYFMBAKCSIDGO-AOMKIAJQSA-N	401.441	5.108	30	20	HKED	
CN(CCC(F)(F)F)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	548365394	IEOLQXPIWSVTSW-LLVKDONJSA-N	410.280	5.293	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)sc2ccc(C#N)cc12	550328150	NZGQAHKKSSGPDQ-UHFFFAOYSA-N	418.440	6.140	30	20	HKED	
COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	553070894	CJPHUNRQENYCDZ-HKUYNNGSSA-N	409.555	5.186	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(COC)cc1	554971277	OXYDPEOAJRKNBW-UHFFFAOYSA-N	415.946	5.135	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)c(C#N)s1	557354783	OKLBOJOTLGIFTR-UHFFFAOYSA-N	420.494	5.285	30	20	HKED	
C=CCN(C(=O)[C@H]1CCC(=O)C[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	561572858	JBIUKZWALBEVAR-WFASDCNBSA-N	423.365	5.641	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(Cl)c(F)cc2Cl)ccc1OCC(F)(F)F	568606359	TVCRZYWGMCOVBA-UHFFFAOYSA-N	407.150	5.198	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N(C)[C@H](C)c1ccc(F)cc1	579042147	JHLHTRKPKFNYAV-MRXNPFEDSA-N	412.534	5.102	30	20	HKED	
Cc1cc(Cl)c2ncc(C#N)c(N3CCC4(CC3)OCCc3ccsc34)c2c1	582186500	DYYAUGSHVZJAKG-UHFFFAOYSA-N	409.942	5.198	30	20	HKED	
Cc1cccc2sc(N(Cc3ccccc3)C(=O)COc3ccccc3C#N)nc12	603457691	CEBBUQXZCZGEBY-UHFFFAOYSA-N	413.502	5.089	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c12	603727297	MHJKSRVRDMLSOS-GFCCVEGCSA-N	420.538	5.534	30	20	HKED	
C=CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	604905422	SSIZYFHKHMJTJY-GFCCVEGCSA-N	409.383	5.183	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Cc2ccccc2F)n1)c1nc2cc(F)ccc2s1	605257606	SQBNRSBHYZIVSN-ZDUSSCGKSA-N	411.458	5.112	30	20	HKED	
C[C@H](C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)c1ccccc1C(F)(F)F	607868993	PCJWVEAZZRWZAT-LBPRGKRZSA-N	407.329	5.539	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209046	ULCHSHXRGUSOQH-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1	609428171	BAYSJCQKDDOCIK-CYBMUJFWSA-N	413.955	6.110	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ncoc3-c3ccccc3)c2)cc1	609558605	PXOJVQILDLIIHK-UHFFFAOYSA-N	409.445	5.239	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(Cl)c1Cl	609805672	OKEAHXRSYCZZRL-CQSZACIVSA-N	418.324	5.179	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)Sc1ccccc1	610321016	CMWMJRBXAABELP-MRXNPFEDSA-N	404.495	5.048	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	610666236	WGIQPRDQFXZJEE-UONOGXRCSA-N	424.957	5.765	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1	610972976	WSJOCARRYAPWOZ-FQEVSTJZSA-N	420.900	5.063	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)C1CC1	611097815	AYWATDXBJVHPBU-CYBMUJFWSA-N	413.909	5.204	30	20	HKED	
C[C@@H](c1ccc(Br)cc1)c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1	615133046	IMLODTJVINRYPV-IFXJQAMLSA-N	423.314	5.197	30	20	HKED	
O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CC[C@H](CC(F)(F)F)C1	622557548	MRXJMRQNZQVSEG-GFCCVEGCSA-N	419.340	5.926	30	20	HKED	
COc1cc(F)c(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	675164423	RGPKGEUAVYGQSV-HTQZYQBOSA-N	420.300	5.004	30	20	HKED	
CCN(C[C@@H](C)C#N)Cn1nc(-c2ccccc2)n([C@H](C)c2ccccc2)c1=S	726960452	AUGZLJPIEXSSDR-RBUKOAKNSA-N	405.571	5.129	30	20	HKED	
COc1cc(/C=C2/CCc3nc(-c4ccc(C)cc4)sc3C2=O)cc(OC)c1O	727655318	VNQABAOLSYJJQY-YBEGLDIGSA-N	407.491	5.054	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)ccc1SC	728156617	KMIHWKRICSFXAN-CLTKARDFSA-N	416.392	5.516	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728192655	DGEZLGFQLLGSRS-UHFFFAOYSA-N	417.465	5.144	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Oc3c(Cl)cccc3C2=O)cs1	729151533	SYIWDVIVCXNQRZ-VCHYOVAHSA-N	410.882	5.406	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1	730236001	RULLXMJYZFVNNT-UHFFFAOYSA-N	405.454	5.335	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(C(F)(F)F)cc1	730419861	DQLZMYRGGXQIEB-IAQYHMDHSA-N	406.404	5.824	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@@H]1c1ccc(Cl)s1	730452489	LNTWOKLEICWLHM-GOSISDBHSA-N	404.894	5.017	30	20	HKED	
N#C[C@@H](C(=O)CSCc1cccc2ccccc12)c1nc(-c2ccccc2)cs1	731938250	BYDPLZDBKWWAND-NRFANRHFSA-N	414.555	6.073	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Br)cc2Cl)c1	733841719	KCDMBQYPJQZDHQ-CQSZACIVSA-N	422.710	5.105	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)c1	733846129	AJVBGJUYJVVNLA-NRFANRHFSA-N	423.557	5.137	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccccc2s1	734325157	GPUHCKHQURUHEA-MRXNPFEDSA-N	413.502	5.238	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCc2sccc2[C@@H]1c1cccs1	735306786	USHGKVFUPNDCQI-HXUWFJFHSA-N	400.956	5.513	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1	736994814	VZKHHHPAYIFTEI-UHFFFAOYSA-N	401.551	5.312	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)OCC)cc1	739512298	CQOLLFOHSCFEMX-UHFFFAOYSA-N	408.376	5.091	30	20	HKED	
C[C@@]1(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CCCN(C(=O)c2ccccc2)C1	741879429	HAZYRFKQTVILPE-HHHXNRCGSA-N	424.500	5.073	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	741914954	LTSANGAACINSAF-OALUTQOASA-N	410.304	5.232	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1ccc(F)cc1	743095153	GPIPMILSFLONBD-HXOBKFHXSA-N	403.457	5.070	30	20	HKED	
Cc1ccc(C)c(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	745724757	WCTCWWYPTVTRIX-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c2c1	745950593	YQUAPWBGYCWZFY-MRXNPFEDSA-N	421.472	5.687	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2F)cs1)c1ccc(F)cc1F	745999116	ZRFYAOVQHVQCJZ-CLFYSBASSA-N	402.397	5.141	30	20	HKED	
C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc2ccccc2o1	746561815	BLMOIVDYHPLBQM-HNNXBMFYSA-N	415.424	5.164	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1C	747195980	DCFMXWZUGVURJE-INIZCTEOSA-N	410.568	5.038	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)n1	748619713	SFHOHJFASKZKPA-SANMLTNESA-N	420.516	5.456	30	20	HKED	
Cn1c(-c2ccccc2Cl)nn(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1=S	751932267	OANUVAKHMXPTOG-UYAOXDASSA-N	423.973	5.001	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](CC)c1ccc(OC)cc1	752478124	YQKWTBZSQFTXPY-DENIHFKCSA-N	406.526	5.051	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccccc2O[C@H]2CCOC2)cc1	760009053	PVKJIXLYNJJUAX-VXKWHMMOSA-N	413.477	5.154	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c(Cl)c([N+](=O)[O-])c1	764312829	VXOMSRWOQHQUDD-UHFFFAOYSA-N	401.806	5.240	30	20	HKED	
O=C(/C=C/c1csc(-c2cccs2)n1)c1ccc(N2CCOCC2)cc1Cl	768849026	PUMNYJJOMIFUDA-ZZXKWVIFSA-N	416.955	5.258	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1NC(=O)OC(C)(C)C	772071546	OJFBTEWJYWPCCA-UHFFFAOYSA-N	409.486	5.253	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccccc3F)s2)ccc1OC	772987397	UBWIAVNXRCVWIY-SJLPKXTDSA-N	424.541	6.095	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCCCC4)cc3)n2)cc1	777308536	DUQUYFLJULCECW-NRFANRHFSA-N	417.534	5.299	30	20	HKED	
Cc1cc(C#N)ccc1NC1CCC(OC(=O)Cc2csc(-c3ccoc3)n2)CC1	779235785	SDAUREUEAKZZAN-UHFFFAOYSA-N	421.522	5.092	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)cs1	780676717	QNQRAABINMKOQD-GJZGRUSLSA-N	406.511	5.292	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)O[C@@H]([C@@H]2CCCOC2)C(F)(F)F)cc1	789634696	COMJINABZJJONG-KUHUBIRLSA-N	423.362	5.004	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1	792354894	NQAFUMQXFXSNHY-GFCCVEGCSA-N	423.822	5.460	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCOc3c(Cl)cc(C)cc3C2=O)cn1	792888394	YOVMFIBCMFCEFW-WJDWOHSUSA-N	406.869	5.163	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CC(c4ccc(F)cc4)C3)n2)cc1	796776527	XYJKBHCYGNFDSL-QLOJAFMTSA-N	401.466	5.191	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCC[C@@H]([C@@H]5CCOC5)C4)c23)cc1	799108585	YHPLSZNAJYYETA-IAGOWNOFSA-N	422.554	5.362	30	20	HKED	
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccnc(O)c1	806555493	FAIUAVDSZJIZCU-DHZHZOJOSA-N	415.880	5.249	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)cc1	813020340	OYGWNCVDOUDPHT-DEOSSOPVSA-N	409.489	5.187	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1sc(-c2ccccc2F)nc1C	814911059	QWRUXQMDRJTXDH-UHFFFAOYSA-N	410.503	5.007	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1	915086415	KJYOJJQSMBFARN-SANMLTNESA-N	402.497	6.113	30	20	HKED	
CCCCS[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	918489378	KUSZGAOWOOALEZ-RISCZKNCSA-N	413.395	6.215	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	920110206	ZURSGWPBASLEGQ-OAQYLSRUSA-N	405.885	5.017	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1	1789288764	YPLKKKOIGMDTFD-UHFFFAOYSA-N	421.497	5.092	30	20	HKED	
N#CCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1	1791008123	QXSBRWMAQUDRHE-UHFFFAOYSA-N	423.472	5.247	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1	1831371618	XDUARHCHYPHNMO-CPJSRVTESA-N	418.581	5.285	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H](C)c1ccc(C#N)cc1	31433325	NXSZERXHPRQXAZ-LBPRGKRZSA-N	415.440	5.500	30	20	HKED	
CCCCCOc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)cc1OC	46827670	LYYMKLCVSRBKKG-SFHVURJKSA-N	409.530	5.038	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2ccc(Cl)cc2)no1	55844437	LMSCACVPZPUZCN-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
O/C(CCSc1ccccc1)=N\c1nc(-c2ccc(Br)cc2)n[nH]1	63497619	RTKABNZVXJVACT-UHFFFAOYSA-N	403.305	5.005	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)c(OC)c1	64737956	FRZITUYHYJIMNY-LJQANCHMSA-N	416.521	5.614	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@H](c1ccccc1)c1ccccn1	301189406	XPLPYDYEOAZRKR-JOCHJYFZSA-N	402.404	5.304	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1	303804723	ASMVSJGHBCMSBC-RBUKOAKNSA-N	420.415	5.380	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1	303945501	YDVQZPACQRRMFY-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
Cc1noc(C)c1COc1ccccc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430584167	OJKVVHYQGGYLBX-INIZCTEOSA-N	409.511	5.115	30	20	HKED	
C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431845834	QKCFQTXIJLLLMW-UZLBHIALSA-N	414.347	5.114	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N(CC2CCC2)CC2CC2)cc1	431986063	LKVBPNLAHIYGNK-UHFFFAOYSA-N	403.526	5.376	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433649178	LVNMVYNBPQTMNB-HNNXBMFYSA-N	408.317	5.131	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	434150345	LTIYZAPKKSAPIH-ZWKOTPCHSA-N	419.554	5.839	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N(C)Cc1ccc(C#N)cc1	436089182	OHAYHZCNECDQNV-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1	436450334	HIBZLIHBALJITO-FQEVSTJZSA-N	412.917	5.133	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1F	437488690	DWMVGTGDZKHPHP-UHFFFAOYSA-N	416.368	5.131	30	20	HKED	
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	437544875	FVGRVJLZFNKDGZ-IEBWSBKVSA-N	416.447	5.075	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)n1	438132141	QFQHVAZXAWREKY-SFTDATJTSA-N	415.497	5.164	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439299716	CZVHQPUVNAAPSD-DEOSSOPVSA-N	410.477	5.826	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)c1ccccc1	440235213	CLPBZVBZPGABES-FQEVSTJZSA-N	402.325	5.712	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1	440700162	ZKYOHEUXIFJSQW-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CCC(F)(F)F)c1	441127312	BGUKSCXMRJDRHZ-UHFFFAOYSA-N	407.392	5.310	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1	441530509	QZZDBTDNQDYELN-QGZVFWFLSA-N	400.507	5.433	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1O	442733484	YXQVCFDKZLWIBL-UHFFFAOYSA-N	400.221	5.010	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1	445830172	QWJAVMOQNFOSOF-OAHLLOKOSA-N	418.484	5.919	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C	446000388	BXVARMFZJCJHEI-BOFPYLFWSA-N	419.447	5.040	30	20	HKED	
N#Cc1ccc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1C#N	460109068	SKEXRNIHYOSVBN-NRFANRHFSA-N	405.429	5.180	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1cccc(C#N)c1	463588413	VRRIUOQUCZEWPW-CYBMUJFWSA-N	412.276	5.795	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3cccc(-c4cccnc4)c3)c2)c1	463752743	ZXMRHPXUYMDGNU-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1cc(C(F)(F)F)ccn1	464471050	XKCIHRBJYNGHQT-FQEVSTJZSA-N	419.406	5.593	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3csc(-c4cccs4)n3)ccc21	469226453	RCGKZIDTQWLPIA-UHFFFAOYSA-N	408.552	5.067	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1	476366183	APBKCXXBFYIBFG-HZPDHXFCSA-N	401.963	5.366	30	20	HKED	
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C(C)(C)C#N)cc1	476544398	XLRCSCUJTBJVDY-UHFFFAOYSA-N	422.916	5.242	30	20	HKED	
Cc1nc2ccccc2n1C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	477411985	KDXYHKFZBDYRDI-UHFFFAOYSA-N	420.516	5.361	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1	479211723	GDCQQBNCLFBVFG-UHFFFAOYSA-N	423.944	5.276	30	20	HKED	
Cc1c(Br)cccc1CC(=O)Nc1ccccc1SC[C@@H](C)C#N	480105519	BIKHBVZOLWQILW-ZDUSSCGKSA-N	403.345	5.191	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	482647934	LRKMHHJLTGKATD-UHFFFAOYSA-N	400.759	5.190	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nccc2ccccc12	483221366	ZPPVDGANAFIYFS-JOCHJYFZSA-N	406.445	5.369	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	483487938	ILIGCJIJDUJMEE-CYBMUJFWSA-N	410.804	5.476	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccn(-c2c(F)cccc2F)n1	487465562	BPFOFYBYEDSYCK-UHFFFAOYSA-N	406.417	5.003	30	20	HKED	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	488030505	ZFNWJDIXGISGFE-REWPJTCUSA-N	408.567	5.032	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCO[C@H]3c3ccccc3)cc2)cc1	489821417	RCXUAOGPBZMPQH-YKSBVNFPSA-N	413.477	5.250	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	497803367	CMFLWWZAIOQCSR-FGZHOGPDSA-N	420.434	5.621	30	20	HKED	
N#C[C@@H](NC(=O)CCCCOc1ccc(Br)cc1)c1ccccc1Cl	499931533	PVOZVXPIERITQM-GOSISDBHSA-N	421.722	5.033	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OCC	500773671	TXXSUNPFPUGVDK-UHFFFAOYSA-N	416.477	5.709	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c1	501752217	VUXMZRASCDKRAF-UHFFFAOYSA-N	414.943	5.093	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Br)cc3Cl)CC2)cc1	503610898	NHPCOTVPPSPJFI-UHFFFAOYSA-N	416.706	5.295	30	20	HKED	
CCCc1c(NC(=O)c2ccc3ccc(OC)cc3c2)cnn1-c1cccc(C#N)c1	504803590	AFMNZNYXNAPQIG-UHFFFAOYSA-N	410.477	5.111	30	20	HKED	
N#C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1Cl	505689816	JSYIUQKKMQJXJU-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1	505826337	MMBHLOPLDGBOHL-FQEVSTJZSA-N	417.534	5.293	30	20	HKED	
CCOC(=O)c1c(NC(=O)N2CCC(C)(C#N)CC2)sc(-c2ccccc2)c1C	506720759	XJMHGUDJQLHYAG-UHFFFAOYSA-N	411.527	5.058	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OC(C)(C)C)CC1	508873932	PBARDFWVHCQTEI-IBGZPJMESA-N	412.578	5.005	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1	508942979	UZVFEBZFVYFTAX-UHFFFAOYSA-N	421.566	5.090	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc(C)nc21	509015722	JBGJWAWEDDWWIO-QGZVFWFLSA-N	413.481	5.022	30	20	HKED	
Cc1c(C#N)cccc1C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	509450256	RDCNQLWPHBKYQA-UHFFFAOYSA-N	411.383	5.349	30	20	HKED	
Cc1ccc(Cc2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1	509906887	CONDGHFLLIXSOY-HNNXBMFYSA-N	422.460	5.277	30	20	HKED	
CC(C)CN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(C#N)cc1	510328941	IESFAJRZHNZHMS-UHFFFAOYSA-N	405.885	5.702	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(COc3cccc(F)c3)c2)c1	510821482	OMVBRAMNPXWZOI-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(COc2cccc(F)c2)c1	510864070	FAFUHUWEDJUWNO-KRWDZBQOSA-N	420.509	5.909	30	20	HKED	
O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	512376436	IOUQQBUUVPPTLN-SUYBPPKGSA-N	411.361	5.471	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	513852512	IXOKXPTYZIBBHU-XOBRGWDASA-N	407.901	5.733	30	20	HKED	
Cc1sc(NC(=O)[C@H](Oc2ccccc2Br)C(C)C)c(C#N)c1C	515160198	IGNNQXYHYMHXIR-MRXNPFEDSA-N	407.333	5.041	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCCc3ccc4ccccc4n3)cc2)c1	518255468	MYOJVHHZQYYWIW-UHFFFAOYSA-N	408.461	5.263	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519029774	XRNRCJYSHVOMEE-HJPURHCSSA-N	411.461	5.197	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1nc(C#N)cs1	519037271	XLXXOGMXDCQESH-JTQLQIEISA-N	419.373	5.060	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1	519433173	VGNPMWFURYFKJT-PMPSAXMXSA-N	401.963	5.270	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4Cl)c3)n2)cc1	520338687	WAZGIKPLZQEZQB-KRWDZBQOSA-N	418.909	5.448	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(Cl)ccc2o1)c1nc(-c2c(F)cccc2F)cs1	520429359	LYJNQJHYIAOZFX-GFCCVEGCSA-N	414.820	5.978	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl	520924072	HRIVWJUQUZFACU-CQSZACIVSA-N	423.365	6.185	30	20	HKED	
C=CCn1c(SCc2ccc(C(=O)NC)cc2)nnc1-c1ccc(C(C)(C)C)cc1	521331712	MLSWZPKUWBDMJQ-UHFFFAOYSA-N	420.582	5.081	30	20	HKED	
COc1ccc2cc(CN(C)C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccc2c1	521960666	AAMAGUIOQBFDTA-UHFFFAOYSA-N	423.472	5.180	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(Oc4cnccn4)c3)cc2)cc1	522951121	LIGKYUUZECOJFR-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
N#CC1(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CCCCC1	523670647	XWGWUUDAAVJLBC-UHFFFAOYSA-N	416.308	5.202	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	525043721	IMXCCFXXQYKDRX-QZTJIDSGSA-N	405.404	5.074	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)c2)cc1	525046729	JECFSDBTZIZDAV-VXKWHMMOSA-N	418.443	5.352	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4ccccn4)c3C)n2)cc1	533640021	HHELJVUHFJFUDM-NRFANRHFSA-N	409.514	5.979	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1	536215870	NYRYQLALLUTJOY-UHFFFAOYSA-N	418.403	5.203	30	20	HKED	
CSc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccn1	540131489	JWIKMPRRSNBHRN-UHFFFAOYSA-N	404.495	5.098	30	20	HKED	
N#CC1(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)CC1	540856709	FOTLFVLLOQRPKU-UHFFFAOYSA-N	405.310	5.289	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)c1ccncn1	545446163	YFXDCACRTUNCSP-OAHLLOKOSA-N	414.317	5.566	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2ccccc2[C@H]1C	547830281	AJBGVITXYNZOEE-LJQANCHMSA-N	411.505	5.597	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccsc1Br	549189108	DQZUNBIPNCCTTB-UHFFFAOYSA-N	405.770	5.123	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1OC	554007743	KMVZOEDUJHLQLQ-INIZCTEOSA-N	412.898	5.279	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CC(C)(C)C#N)cc1C	554224531	HDDICCBBSGGFKY-UHFFFAOYSA-N	400.526	5.054	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@H]1c1cccs1	554418520	CXMQTGPDMLRUOA-JOCHJYFZSA-N	417.534	6.336	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@H]1c1ccccc1	564431341	BSWZFDKAALIQIK-HOYKHHGWSA-N	412.493	5.403	30	20	HKED	
Cc1ccnc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12	574095548	HWZNIMPWPSHZQF-HNNXBMFYSA-N	405.429	5.435	30	20	HKED	
CC(C)n1c(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)nc2ccccc21	576790462	WAFFEWYRPZTQNI-UHFFFAOYSA-N	409.493	5.162	30	20	HKED	
Cc1sc(CNCc2ccc(C#N)cc2C(F)(F)F)nc1-c1ccc(Cl)cc1	577786382	YYFYFOFKAYZLJD-UHFFFAOYSA-N	421.875	5.952	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F	583845264	FGTAWIZCYUHPDC-NRFANRHFSA-N	417.475	5.147	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNc1cc(F)ccc1OCC(F)(F)F	600856984	UDYHACJRGCENFS-UHFFFAOYSA-N	412.261	5.306	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)Nc3ccc(C#N)c(Cl)c3)s2)cs1	603647118	JKNUSYMPCBIGKV-UHFFFAOYSA-N	402.932	5.069	30	20	HKED	
Cc1cc(OC(C)C)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	603993595	CDBILUNRWLCPKQ-UHFFFAOYSA-N	402.519	6.057	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2Cl)cc1	604026962	PGOABSZYVGHSTG-UHFFFAOYSA-N	401.853	5.666	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)cs1	609359352	VZWGWCGZLZTQEQ-UHFFFAOYSA-N	410.568	5.424	30	20	HKED	
Cc1ccc(-n2nc(C(=O)Nc3ccccc3SCCC#N)c3c2CCC3)c(F)c1	609375564	RGACBYJVZHORRL-UHFFFAOYSA-N	420.513	5.067	30	20	HKED	
N#Cc1ccc(F)c(CN2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c1	609449723	RTVHRHHGAPAEIS-UHFFFAOYSA-N	418.447	5.039	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CSc3ccccc32)cc1	609795811	DJKJAOZUTKPALV-HXUWFJFHSA-N	402.544	5.427	30	20	HKED	
C[C@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)c1ccc(C#N)cc1	609813823	WDNKKIJMVGYPJE-OALUTQOASA-N	417.582	5.539	30	20	HKED	
C[C@@H](CCC(C)(C)C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	609927687	DRFSWPQQHOBHHP-ZDUSSCGKSA-N	403.577	5.038	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@@H](C)c1cccc(C#N)c1	610324873	WBHCCTUCOQOLFX-KRWDZBQOSA-N	401.514	5.233	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2	610598307	HKYOZMVKWOFCCY-XZOQPEGZSA-N	424.548	5.188	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3n[nH]c4ccccc34)s2)c(C(F)(F)F)c1	612625470	RUMCSEIAYIDNEW-UHFFFAOYSA-N	413.428	5.113	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc(-c2ccc(Br)cc2)s1	618741949	IZYFPUGPVWCLRF-LJQANCHMSA-N	410.340	5.221	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(F)cc1	636349286	MOYDBJFGZJJYFA-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccc(CCC(C)=O)cc2c1C	642057631	RXQDAJSDVWRVMS-UHFFFAOYSA-N	402.494	5.187	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ccccc1OC(F)F	674866986	UDPNQMZTJGWHQB-LBPRGKRZSA-N	400.878	5.018	30	20	HKED	
C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1	675739167	UYKJXMBVHFBGMD-FTYKPCCVSA-N	405.329	5.848	30	20	HKED	
C=C(C)COc1cc(CNc2cccc(-c3nnc4n3CCCCC4)c2)ccc1OC	676316639	PLYFVTRMDQUKPW-UHFFFAOYSA-N	418.541	5.247	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1CCC(C)C	676757941	SXFMLOPCUXTYOC-CQSZACIVSA-N	420.460	5.356	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1	726733003	OHLOMLQMENRTGM-MRXNPFEDSA-N	424.909	5.347	30	20	HKED	
CC(C)(NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1	728745334	TUWKWXSZQXJYNH-RYUDHWBXSA-N	414.365	5.270	30	20	HKED	
Cc1nc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)sc1-c1ccccc1	728939146	YVQLXRZINGWMDU-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccc3)nc2)CCc2nc(-c3ccccc3F)sc21	731937554	JFHCSZXXFCXEFR-ATVHPVEESA-N	413.477	5.619	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2Oc2ccccc2)c1	733801375	HJAWBNNGKNAPFU-NRFANRHFSA-N	415.493	5.159	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc2ccccc2s1	734207242	OTHKNOJKEASRAR-HNNXBMFYSA-N	414.490	5.843	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccncc1	734237537	QBUBKRQBLFHBCC-IBGZPJMESA-N	417.538	5.183	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc(F)cc1	735230102	CBLZLIGBYZSRRT-UHFFFAOYSA-N	414.893	5.118	30	20	HKED	
CC1CCC(N(C(=O)CSCc2cc(Cl)ccc2OCC#N)C2CC2)CC1	735317510	BUCXOYIZQYRWHP-UHFFFAOYSA-N	406.979	5.045	30	20	HKED	
CC[C@H](C)Oc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC	740014667	VGZMIAAKVXDEDS-KRWDZBQOSA-N	406.551	5.762	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(-c2nc3ccccc3s2)o1	741843038	XOWJKLVVCHBSPN-PKNBQFBNSA-N	423.465	5.617	30	20	HKED	
O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741851979	HDVOQRKEUJIYIS-CMDGGOBGSA-N	423.239	5.226	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1sccc1-c1ccc(F)cc1	743752141	RFOKNJODIYLJBV-UHFFFAOYSA-N	403.400	5.355	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744029817	WNUPKTLFRYGPEM-KXBFYZLASA-N	424.422	5.700	30	20	HKED	
COc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	745723601	CTRVHAGKNAOYEA-UHFFFAOYSA-N	405.498	5.418	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	745947746	LLUXOIVBCNIBHP-CJNGLKHVSA-N	418.440	5.597	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2CSCCS2)cc1Cl	751613040	WCIPSUFMXHTARI-FUHWJXTLSA-N	402.972	5.173	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(COc2ccccc2)c1	752649186	MOEUQHMUWAWZGH-DQEYMECFSA-N	411.505	5.569	30	20	HKED	
N#Cc1cc(F)c(C(=O)Oc2c(Cl)cc(Br)cc2Cl)c(F)c1	755301762	LHKGIMKOQDOSNI-UHFFFAOYSA-N	406.997	5.125	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	755341360	UMPLOWDVHQVYOW-DLBZAZTESA-N	423.513	5.147	30	20	HKED	
CCc1c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1CC(C)C	757878865	DXPBHEYXXDAEKZ-OAQYLSRUSA-N	401.514	5.401	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)n1	760005987	CMGXIUUOIWUTDD-HSZRJFAPSA-N	422.488	6.258	30	20	HKED	
CSc1ccc2cc(CN3CCO[C@@H](c4cccc(C#N)c4)C3)c(Cl)nc2c1	761758458	YYGGQSWDWUSNJN-OAQYLSRUSA-N	409.942	5.055	30	20	HKED	
CC(C)(C)n1cc(/C=C2/CCc3nc(O)ccc3C2=O)c(-c2ccccc2Cl)n1	769616485	ZGRRKLUKQPHPLP-OWBHPGMISA-N	407.901	5.272	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	771433551	LEVQCTVJAUYNMQ-VWMXVWASSA-N	417.484	5.379	30	20	HKED	
N#C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1Cl	772666727	MYSCWZGPCZVGDD-GJZGRUSLSA-N	418.107	5.105	30	20	HKED	
N#CCOc1ccc(CC(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	773841454	CHDQXHFSLWIZKC-FQEVSTJZSA-N	422.834	5.071	30	20	HKED	
C[C@@H](N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccc(OCC#N)cc1	776165362	PYZSAWZURRSAFK-IQMFZBJNSA-N	412.867	5.961	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCc2nc3ccccc3n2-c2ccccc2)n1	778313115	OYTMGWAZONERHC-GOSISDBHSA-N	414.534	5.414	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCCSCc1cccc2ccccc12	780680469	FCDVWYXMWYSWIN-KRWDZBQOSA-N	405.523	5.186	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCC4)n2)cc1	783358251	ZLWZRERXYGVPRW-NRFANRHFSA-N	414.530	5.447	30	20	HKED	
COc1cccc(/C=N\C[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1O	790573061	BZEFAINIRSHTKX-MHBHXDGASA-N	414.855	5.099	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2)c1	790911516	QNFNBTGOBFBMRW-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1	792098907	FUMJSPUAYPGKET-MHECFPHRSA-N	404.469	5.446	30	20	HKED	
Cc1ccc(C(=O)N(C)c2ccc(OC(=O)C[C@@H](CC#N)c3ccccc3)cc2)cc1	796539498	WBAPWJDIDCQZFH-JOCHJYFZSA-N	412.489	5.265	30	20	HKED	
CC(C)O[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	796766703	ZCZPSHODZNTELY-RXVVDRJESA-N	410.926	5.806	30	20	HKED	
CC(C)(CCC#N)COC(=O)c1ccccc1C(=O)c1ccc(Br)cc1	798877754	CXHSWNYDPFWFQI-UHFFFAOYSA-N	414.299	5.167	30	20	HKED	
COCc1nc(C(=O)OCc2ccccc2C(C)(C)C#N)c(-c2ccccc2)s1	799595694	ROKZLTLIXHOFAN-UHFFFAOYSA-N	406.507	5.115	30	20	HKED	
COc1ccc(C(=O)/C=C/C(C)=C/c2ccccc2C(F)(F)F)cc1NC(C)=O	799893153	PCIFQXAZNPOINL-SHQVAAIUSA-N	403.400	5.515	30	20	HKED	
N#C[C@H](C(=O)COc1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	800385956	FZIPRKIHCQHQCN-CYBMUJFWSA-N	409.319	5.434	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915086969	YXAKJFTZYHFIDE-RUZDIDTESA-N	412.489	5.342	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1	915352969	KQHHOUNZKPOACX-QFIPXVFZSA-N	406.489	5.414	30	20	HKED	
CN(CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCCCC1	915353154	LNWMSSJWUDIKBP-XMMPIXPASA-N	404.558	5.118	30	20	HKED	
CN(C)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	915926838	DRIPSMSOKPGWLW-JOCHJYFZSA-N	418.928	5.383	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SC(F)F)cc2)cc1	916953574	DEYZUVFSWNABOW-UGSOOPFHSA-N	402.466	5.476	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1	917030607	XTFNRCCUGADQGR-UHFFFAOYSA-N	424.913	5.428	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917046271	IVCBXGQGCFPTKE-CQSZACIVSA-N	406.854	5.004	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1C	917046410	JSVUUKOMFWCRQE-INIZCTEOSA-N	400.956	5.925	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	917119835	YADMZZRDHDAJPU-SBUREZEXSA-N	402.519	5.470	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccccc2C)c1=S	917482910	NBAZZZVPFVZRIY-NRFANRHFSA-N	420.582	5.379	30	20	HKED	
COc1cc([C@@H](C)NC(=O)/C=C\c2ccccc2C#N)ccc1OCc1ccccc1	917764277	VMOGKRINHOFKEM-RXHHAWBHSA-N	412.489	5.036	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	919904399	KRCXBLMLYBFLEL-HRAATJIYSA-N	423.438	6.244	30	20	HKED	
Cc1c(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)sc2nc(C(F)(F)F)ccc12	920877946	SWNGWZTZPCPLIC-ZDUSSCGKSA-N	422.403	5.302	30	20	HKED	
CCCc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(O)n1	1290885537	SKUUVFGGUQOIHD-HXUWFJFHSA-N	405.885	5.301	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1	1789455774	CLFSXZHEZWBPLB-LJQANCHMSA-N	423.944	5.251	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)CCC1	1790397869	UHRJSKZGMYHIIF-GOSISDBHSA-N	415.537	5.057	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3cccs3)cc2)CCC1	1791814913	AMRBSZVGAAOHRA-HNNXBMFYSA-N	418.509	5.197	30	20	HKED	
C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1	1831857021	SIVDFIWZXYMDEE-ZWSUVBHBSA-N	410.602	5.012	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)CCCCC)CC1	1832033784	CIWDNGJNAKBLSO-GMAHTHKFSA-N	402.623	5.016	30	20	HKED	
C=CCn1c(SCC(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccc(F)cc1	8332707	BDLDSCRWDCVECU-HXUWFJFHSA-N	424.545	5.020	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(O)c2)cc1	10173496	CEJAZJZPFMIBGM-UHFFFAOYSA-O	419.570	5.218	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c[nH]cc3-c3ccccc3)c2)c1	56099096	NGNUQDTZFPPPCR-UHFFFAOYSA-N	406.445	5.058	30	20	HKED	
N#CCCN(C(=O)CSc1ccc(Br)cc1)c1cccc(Cl)c1	60872369	HPDVAGWQTRTORL-UHFFFAOYSA-N	409.736	5.141	30	20	HKED	
COc1ccc(CCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	61187116	BZCLGQPIHIZURU-UHFFFAOYSA-N	414.505	5.302	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1	64456502	WYZDLZCYQOCUMD-UHFFFAOYSA-N	422.897	5.181	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2\SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1	110653176	HLHUXEYXCMBUND-CHROMADKSA-N	417.412	5.079	30	20	HKED	
N#CC1(CCCN2CCC(c3nc4cc(Cl)ccc4s3)CC2)CCOCC1	410304784	FVMUWFIPMHWTJY-UHFFFAOYSA-N	403.979	5.230	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1	429660099	MYYKMEIUMRQCKW-UHFFFAOYSA-N	403.404	5.655	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2c(Cl)cc(F)cc2Cl)CC1	431821585	GEWVSPBYYDGVNR-UHFFFAOYSA-N	407.272	5.124	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)NCC3(CC#N)CC3)cc2Cl)n1	432575533	SNMPWPUGPOMPKB-UHFFFAOYSA-N	419.938	5.097	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)cc1	432850765	LHQPDNUXNXPFMW-QFIPXVFZSA-N	405.498	5.402	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2cccc(Cl)c2)C1	433319905	SKPUBQSDOOOGBE-FUHWJXTLSA-N	413.974	5.162	30	20	HKED	
Cc1ccc(NCC#Cc2ccc(OC(F)(F)F)cc2)cc1NC(=O)C(C)(C)C	433468346	DMGWZRBGLCEYNQ-UHFFFAOYSA-N	404.432	5.342	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(Cl)cc(Br)c1F	435520917	FHLOLATXXPUKDD-UHFFFAOYSA-N	411.658	5.153	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2cccc(Cl)c2s1	436407457	SVIPROMMNCTGEG-UHFFFAOYSA-N	420.881	5.285	30	20	HKED	
Cc1sc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nc1C(C)C	436465151	ULLSIECWIANCDZ-UHFFFAOYSA-N	405.523	5.207	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Br)c(Cl)c1F	444293313	SURDTUHZHIJWTI-GDBMZVCRSA-N	421.697	5.154	30	20	HKED	
C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OCc2ccccc2)c1	444714921	BMXCIKCYKGKKFG-SFHVURJKSA-N	410.477	5.038	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1	445830685	YLFWBCIHPCWSDP-AWEZNQCLSA-N	404.457	5.627	30	20	HKED	
Cc1csc(N(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C2CC2)n1	460372238	DJFAQANUJSWRTR-UHFFFAOYSA-N	409.898	5.578	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	463597458	MHIWIVKMDNGKGA-UHFFFAOYSA-N	424.884	5.140	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F	463778519	NMKKPPQASCPJKX-SNVBAGLBSA-N	400.372	5.630	30	20	HKED	
N#C[C@H](NC(=O)c1sc2ccccc2c1Br)c1ccccc1Cl	464410785	ZHZZESVXZXIXPL-ZDUSSCGKSA-N	405.704	5.312	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1	464950056	IZFSZDVLOLZJMF-ZBFHGGJFSA-N	413.955	5.437	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	470795831	USSKQABYNFOJKD-UHFFFAOYSA-N	419.550	5.792	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1	473610538	MDZODZHXYXHSAG-SANMLTNESA-N	416.569	5.008	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F	475571128	DVXANTFJECOHSF-IBGZPJMESA-N	408.468	5.314	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1	475583377	PSACENCERJERFI-QFIPXVFZSA-N	410.533	5.891	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)cc1F	475903583	XEMYAKBESBXHEI-KBMIEXCESA-N	419.475	5.385	30	20	HKED	
C=CCn1c(SCCCC(C)(C)C#N)nnc1-c1ccc(Br)cc1	476519353	NAFMSNDAASFTNX-UHFFFAOYSA-N	405.365	5.316	30	20	HKED	
N#Cc1ccc(C[S@](=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	476906201	YOULOKIGMXMTMF-MHZLTWQESA-N	406.454	5.149	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1	478340831	QPRSKAZJMSRTIW-ZDUSSCGKSA-N	401.507	5.952	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483221317	ZAPIKVLFQHTCRL-NRFANRHFSA-N	408.457	5.916	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	483487939	ILIGCJIJDUJMEE-ZDUSSCGKSA-N	410.804	5.476	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(C#N)c2)nc1-c1ccccc1	483632052	CHZAQRMVYZWRPJ-FQEVSTJZSA-N	418.472	5.845	30	20	HKED	
N#Cc1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1F	484103805	TUFGNNPVZOOXGO-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
CCOc1ccc(-c2nc(CNc3ccccc3S[C@@H](C)CC#N)cs2)cc1	487366208	WRGFCEYPEBBHGZ-INIZCTEOSA-N	409.580	6.215	30	20	HKED	
N#CCCC[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccccc1	487476764	UHISIMATZUZOND-FQEVSTJZSA-N	418.566	5.064	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)o2)c(C)c1	487579160	YNJOVJYFFXJBNY-QFIPXVFZSA-N	402.494	5.640	30	20	HKED	
N#Cc1ccc(SCc2nc(O)c3c(-c4ccccc4Cl)csc3n2)nc1	495267983	PRSYHAQFTVANPF-UHFFFAOYSA-N	410.911	5.276	30	20	HKED	
CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CCC1	496380377	QGWUZXQSSCKQQR-UHFFFAOYSA-N	408.449	5.031	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	502792808	RIITUKRMBQEYKS-VLCRHTCISA-N	417.578	5.340	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cc(Cl)ccc3Cl)n2)cc1	505424302	ZPXUJSQMUFSELK-CQSZACIVSA-N	413.289	5.234	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(-c2cccs2)n1	507005773	ATELBJTUOUPACH-UHFFFAOYSA-N	400.463	5.065	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCC(OC(F)F)CC2)cc1	507721326	ZSZAYIGCASDCHU-UHFFFAOYSA-N	416.443	5.024	30	20	HKED	
Cc1ccccc1[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	508244493	ZDHLKBALEMETPU-OAQYLSRUSA-N	424.504	5.140	30	20	HKED	
CN(CCc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510639521	FCWISVAOQXTVFG-JOCHJYFZSA-N	421.903	5.841	30	20	HKED	
CCCOc1ccc(Br)cc1CSCCCC1(C#N)CCOCC1	512391670	OYEFQABNDDRFGK-UHFFFAOYSA-N	412.393	5.572	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)CC2)c1	512541392	DZSZKILYVUIKAR-QHCPKHFHSA-N	423.944	5.306	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C	512855471	ICLQRSUHKFJXRN-UHFFFAOYSA-N	408.889	5.172	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1	513119512	ZLVRYCACDWOQSS-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	513955030	SGKNIWMKBNKPRA-UHFFFAOYSA-N	403.457	5.330	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(Br)c1	517472976	HQWVUDDPWKBMRC-ZDUSSCGKSA-N	404.333	5.023	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(-c2ccccc2)cs1	517474189	YEPUIWDHQSLFJI-CVEARBPZSA-N	422.579	5.945	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1	517653251	BUJHWSBRGSDIRP-MRXNPFEDSA-N	417.896	5.765	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)s1	518041238	NZPUDQWRKNLAEW-MRXNPFEDSA-N	405.523	5.044	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)nc1	518372898	FRGHEZURHBWKJW-UHFFFAOYSA-N	422.469	5.598	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(Cl)c1Cl	519485398	YHFYYKLMVNGULX-CYBMUJFWSA-N	406.250	5.111	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1NC(=O)C(C)(C)C	523611313	WNQIJLMATYYFRK-UHFFFAOYSA-N	406.530	5.294	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	524566681	YNSVKKJOIIRWKH-LJQANCHMSA-N	419.550	6.074	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(-c3ccncc3)cc2)cc1	525346469	MFSNDXGWLOAJLX-UHFFFAOYSA-N	420.472	5.734	30	20	HKED	
C=C[C@H](CC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	530511570	VNJISJJERHOOHY-WZONZLPQSA-N	403.501	5.629	30	20	HKED	
COc1cc(CN[C@@H](c2ncccc2C)C(C)C)ccc1OCc1cccc(C#N)c1	533059991	GNFHFLVRFGYGFA-RUZDIDTESA-N	415.537	5.336	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1COc2ccccc21	535102341	WXJYDNXSIYEXRG-JXFKEZNVSA-N	400.503	5.004	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ncccc3C(F)(F)F)c2C#N)C1	538845735	VLSJYOUUJATZAO-NSHDSACASA-N	407.461	5.437	30	20	HKED	
C[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(-c2cccc(C#N)c2)cc1	542001036	VUVUWNMDZASVMJ-YWZLYKJASA-N	403.507	5.024	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	549375345	OAFGJWXQCLESSP-UHFFFAOYSA-N	412.468	5.389	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1	554260955	ZQEYCUWCLMCBDK-UHFFFAOYSA-N	400.523	5.202	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C2CCC(F)(F)CC2)cc1	558317960	WMNZODNLMOPXIH-UHFFFAOYSA-N	415.440	5.401	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@@](C)(C#N)CCc1ccccc1	558319629	VODLWPJOQQPHNY-JOCHJYFZSA-N	411.477	5.042	30	20	HKED	
N#Cc1cc(NC(=O)NCc2cc3ccccc3s2)ccc1OCC(F)(F)F	573946261	NPWJRPKBWHFUEY-UHFFFAOYSA-N	405.401	5.036	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1	579780807	KBOMABFPLNCFEL-UHFFFAOYSA-N	421.884	5.293	30	20	HKED	
C=CCOc1ccc(CNCc2ccc(-c3nc4ccccc4s3)o2)cc1OC	582680821	YPVZBWPWFSMMGL-UHFFFAOYSA-N	406.507	5.420	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc12	584743455	LROBRGRCNIJPLL-KRWDZBQOSA-N	407.473	5.279	30	20	HKED	
Fc1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)co2)cc1F	590818506	CDXOZSCTWAOZKL-PHIMTYICSA-N	414.296	5.183	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2cc(F)ccc2s1	592975886	XKFDFCVXZBRXJW-HNNXBMFYSA-N	421.478	5.239	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F	601178735	VBGYQYSTVQZOLA-UHFFFAOYSA-N	408.420	5.379	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cn2)c1	604088019	GXVDVNRJDOJCKC-NRFANRHFSA-N	416.456	5.124	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)cc1	608803470	IBENOHUQSOKWHD-UHFFFAOYSA-N	416.864	5.467	30	20	HKED	
Cc1csc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	609047049	RBLDYLNFRISGTA-KBXCAEBGSA-N	410.930	5.643	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)CC(C)(C)C)cc3)o2)cc1	609191566	KAKVVMVFJKRWGC-UHFFFAOYSA-N	402.498	5.114	30	20	HKED	
CN(C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1ccc(C#N)cc1F	609217914	XMYFYJBCNLMIOG-UHFFFAOYSA-N	401.416	5.116	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)Nc3ccccc3SCCC#N)cc2s1	609375884	GUYRPDJMKDBPED-UHFFFAOYSA-N	416.597	5.462	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1ccccc1OC	609401895	IBKWPBCWBWXFCV-ROUUACIJSA-N	411.571	5.952	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1	609426106	VBINDOVZFDBBPY-UHFFFAOYSA-N	423.472	5.943	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ncoc1-c1ccccc1	609558636	USEWQGWJBOEUIS-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
COc1cc(CNC2(c3ccc(F)cc3)CCC2)ccc1OCc1cccc(C#N)c1	609739086	XNIOQKOYKJPJSF-UHFFFAOYSA-N	416.496	5.454	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1	609757759	UJVCZXCXHIHUOW-QHCPKHFHSA-N	410.945	5.905	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc(COc2ccccc2Cl)n1C1CC1	614396863	UPIDZUNZSVSIDW-UHFFFAOYSA-N	410.930	5.318	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1-c1cccnc1	623133892	CGSKWTLNYNODSH-UHFFFAOYSA-N	409.518	5.520	30	20	HKED	
N#CCCCCCC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1	672579852	COGXGJFEFPYLOV-UHFFFAOYSA-N	405.548	6.081	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)CC[C@@H]1C(F)(F)F	683023630	CEXXLAHXGOIAHE-LBPRGKRZSA-N	418.328	5.783	30	20	HKED	
C#CC[C@H](OC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccccn1	727775641	MSUCWAXNABARLC-QFIPXVFZSA-N	418.518	5.026	30	20	HKED	
CCCCCCc1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1	728704351	FYTNIUFCBVCEOE-UHFFFAOYSA-N	406.913	5.532	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3cccc4ccccc34)n2)cc1	730922698	HITDMBSCXKHFNX-YTFSRNRJSA-N	419.509	5.815	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(OC2CCCC2)c1	731288061	OQLGXNVSUSIPTA-JOCHJYFZSA-N	404.510	5.094	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	733628887	WJQGMHWUZUYPEK-UHFFFAOYSA-N	416.437	5.563	30	20	HKED	
CC1(C)C/C(=C/c2cccc(OCC#N)c2)C(=O)/C(=C/c2cccc(OCC#N)c2)C1	736434155	PFOJIZFFKQRHEV-VOKWCDJLSA-N	412.489	5.347	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cs1	738752057	ABNHNLXSTCVYQC-HNNXBMFYSA-N	407.495	5.213	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	738895271	IQAUNHALQOZJRS-ZEQRLZLVSA-N	413.521	6.393	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccsc1	739156730	PQGDXIVREVYSEC-IINYFYTJSA-N	407.347	6.158	30	20	HKED	
C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1-c1ccc(Cl)cc1	740014915	ZLROWSGHVSNMHN-LJQANCHMSA-N	403.957	6.208	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1	741934521	VDWNVFFNIMQCIY-RLLQIKCJSA-N	403.309	5.094	30	20	HKED	
COc1ccc2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c(C)c2c1	744063402	MZLSNXJZLYXEAR-INIZCTEOSA-N	405.504	5.227	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)c1ccccc1	746658671	GFJCOBACHFRFQJ-CJFMBICVSA-N	413.521	5.584	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)n1	747194135	UPPZBCGFKJNPTA-BHDDXSALSA-N	416.546	5.825	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(C#N)cc1	748995493	SAQMYDMUNKOAMY-MRXNPFEDSA-N	402.523	5.065	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	757760189	HKOBHUDSWBQRRG-RUZDIDTESA-N	409.489	5.218	30	20	HKED	
CO[C@@](C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1F	759442627	ZSDCUVSWYAWVTA-HXPMCKFVSA-N	422.403	5.192	30	20	HKED	
C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1cc(Br)ncc1F	762767260	HBOYJAKTKBTZBA-CQSZACIVSA-N	410.290	5.373	30	20	HKED	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	765589987	GVLXPXQPNFFKJA-CJNGLKHVSA-N	413.886	5.303	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1	765796967	AZIWLAIQHNKOGX-OAQYLSRUSA-N	402.523	5.037	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1	768391869	ODMLEEWZTNHXHZ-OAQYLSRUSA-N	406.486	5.332	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1	769449732	JEADGAGDTQVLEI-XMSQKQJNSA-N	402.519	5.015	30	20	HKED	
CCCCN(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1	770098717	GZRXUEOLJQXAOA-QFIPXVFZSA-N	405.542	5.009	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1	772984154	MSFBQXCKKLPYBV-WMZHIEFXSA-N	400.522	5.894	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCOc3c2ccc(Cl)c3Cl)c1	772984266	PJGRCGRHYVWROU-BEFAXECRSA-N	405.325	5.678	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1Cl	783757176	PCPYHJVXPPHKFG-AWEZNQCLSA-N	405.779	5.080	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)NCc3ccc(C#N)c(Cl)c3)cc2)n1	801180465	HRAWVBTZTDJXJV-UHFFFAOYSA-N	413.955	5.199	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1	806171912	BLJBUROFZNYQDH-QGZVFWFLSA-N	421.715	5.467	30	20	HKED	
C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc(OC)c(F)c2)cc1OC	810233943	SZYJTOUWZKYCAO-ALCCZGGFSA-N	421.262	5.066	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1	915293402	LESMVCQDQJJOKX-DEOSSOPVSA-N	421.500	5.958	30	20	HKED	
CCN(CC)c1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1	916283548	GVXXWUVNNAWUDB-UHFFFAOYSA-N	416.550	5.162	30	20	HKED	
Cc1cc2occ(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c2cc1C(C)C	916905038	IBBMQLJANPSJQJ-GOSISDBHSA-N	408.885	5.408	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccccc2F)o1	916927423	JILVVPANZBUSSB-ZDUSSCGKSA-N	417.223	5.354	30	20	HKED	
CC(C)CCN(CCC(C)C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	918291552	QICLCCVQGKUFGX-XMMPIXPASA-N	419.569	5.201	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3ccc4ccccc4c3)cs2)cc1	920063040	ULIGDSCVQSBWGR-JYRVWZFOSA-N	401.487	5.780	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1	1787868881	KTUYYCCIWUHOGD-UHFFFAOYSA-N	408.464	5.231	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4s3)cc2)CCC1	1788971054	GFIIYYWGBYURCV-MRXNPFEDSA-N	419.550	5.256	30	20	HKED	
C[C@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1	1790767964	UJOLKBAETMPJBB-NPMXOYFQSA-N	421.928	5.005	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccsc3)CCC2)cc1)C(F)(F)F	1791303303	RCHLSPFHQIPAOA-FPYGCLRLSA-N	420.456	5.014	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1	1791593060	DFFSTRHZPKKFRK-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)[nH]n1	1819557841	YWDWMQPIVJJDCD-GHTZIAJQSA-N	422.573	5.198	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2C)CC1	1827803852	SBQLNIBBZKGZEH-IFMALSPDSA-N	414.615	5.058	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1Oc1cccc(F)c1	60458558	ACEAXCZJOKBDNI-UHFFFAOYSA-N	407.470	5.284	30	20	HKED	
CC(C)OCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	63833132	BQWCIBRQCVVXLV-UHFFFAOYSA-N	402.519	5.887	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1	71975204	SVGIXUMPLXZTHS-QHCPKHFHSA-N	402.519	5.841	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nc2sccc2c1=O	105473594	WMTPCABAHFECSZ-LLVKDONJSA-N	418.494	5.242	30	20	HKED	
N#Cc1cc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)ccc1OCC(F)(F)F	108413085	ZEWYMHNZKZVVNI-UHFFFAOYSA-N	413.399	5.066	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	109328714	JXIYBLWXYJIDFM-UHFFFAOYSA-N	423.516	5.583	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	303248412	ARAGNOKFMWPYSC-OAHLLOKOSA-N	417.336	5.114	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1	303532851	WXCMISZNLYLTSL-UHFFFAOYSA-N	410.477	5.061	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ncc(C3CCCCC3)s2)c1-c1ccccc1	429090798	FWNQPGZOEUHJEB-UHFFFAOYSA-N	405.527	5.220	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1	430601316	ZHGZUNOGXZGHRF-OAQYLSRUSA-N	417.578	5.563	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cccc(OCC(F)(F)F)c1	431923144	HFQIBGQPEPBUJO-AWEZNQCLSA-N	408.445	5.061	30	20	HKED	
O=C(Nc1ccccc1OCC(F)(F)F)N[C@H](c1cc(F)ccc1F)C(F)F	432919211	VYUAROABOLPAEO-CQSZACIVSA-N	410.289	5.034	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC1CC(OC(C)(C)C)C1	433472708	UNFIBZIBNRBUBI-UHFFFAOYSA-N	421.541	5.764	30	20	HKED	
CCCCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C	435030343	QLYSUCHGKDWXQE-UHFFFAOYSA-N	402.498	5.003	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1	436072274	ZTYUUQPFMPIUAM-NSHDSACASA-N	400.265	5.320	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl	438823146	IVTAQJGVRCFZTE-UHFFFAOYSA-N	403.869	5.049	30	20	HKED	
FC1(F)CC[C@@H](c2noc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1	439567693	GEQHVNKTBYQCBH-MRVPVSSYSA-N	416.268	5.589	30	20	HKED	
C=CCn1c(SCc2csc(CCc3ccccc3)n2)nnc1-c1ccco1	440180419	GTBBGPVWLTUBPC-UHFFFAOYSA-N	408.552	5.258	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	442669132	GDAYHXQPCYZQNV-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
CCN(c1ccccc1)S(=O)(=O)c1ccc(S[C@@H](C)c2cccc(C#N)c2)nc1	443133111	NJDIOKAIIDJUKZ-KRWDZBQOSA-N	423.563	5.022	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@H]1C	460955529	YBTMBVJUHRXFBJ-ACJLOTCBSA-N	407.345	5.136	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1OC	463047917	JKUFIEXRPBHGBF-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1sc2ccccc2c1Br	463572419	YSIJZTLDJJIEGI-UHFFFAOYSA-N	415.312	5.575	30	20	HKED	
C[C@@H]1CCCN(c2cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)ccn2)C1	464179218	AGUVHUTYTGVOAU-CZUORRHYSA-N	410.930	5.071	30	20	HKED	
CCN(C(=O)c1cc(Br)cc2cccnc12)c1ccc(C#N)c(Cl)c1	464187486	CQSMKRFFPSJBIM-UHFFFAOYSA-N	414.690	5.189	30	20	HKED	
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	464868590	FCWVXXBYKGXEBD-SJLPKXTDSA-N	414.958	5.750	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)CCOc1ccccc1	465024980	GOMADIAWACQTCI-KRWDZBQOSA-N	401.466	5.098	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	467149413	FMHAAFVGDSFXLR-INIZCTEOSA-N	417.513	5.493	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1Oc1ncccc1Br	468626752	ISWZISNJYXCVAO-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1	470805492	XIRNSUGCNFZMJE-HXUWFJFHSA-N	415.449	5.162	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	472742745	AAMBBGXSWBLEKO-TZIWHRDSSA-N	422.598	5.067	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	474438758	LEFKTJVSDWAEPJ-NSHDSACASA-N	403.866	5.513	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(CN2CCCCC2=O)c1	480638236	DFAOSOLGVJKJCY-UHFFFAOYSA-N	417.962	5.134	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482396380	JGTJUWVPXBFJLP-MRXNPFEDSA-N	408.317	5.078	30	20	HKED	
C=CCN(C(=O)c1nc(C)sc1Br)c1nc(-c2ccccc2)cs1	485738417	OFHRBMCDGUMGHU-UHFFFAOYSA-N	420.357	5.170	30	20	HKED	
N#CCSc1cccc(C(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)c1	489124382	BKLYRJMZXOHFHR-UHFFFAOYSA-N	403.891	5.530	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccs1	489406258	OTJPKBDZPXQHKD-ZDUSSCGKSA-N	418.975	5.274	30	20	HKED	
Cn1cc(CN2CCc3sccc3[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	491961263	SGKQWHDKIJBOQB-HSZRJFAPSA-N	416.575	5.229	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1	498245793	YWODJAQUUGDAOP-FIXSFTCYSA-N	418.443	5.028	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1	502293785	LUDBUOWINQIJCG-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3cc(C)nc(C)n3)c3ccccc3n2)c(C)c1	505298942	FISBWUWYSGDVAA-QFIPXVFZSA-N	406.489	5.416	30	20	HKED	
COc1ccc(CN(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OCCCC#N	507210643	KIHFEAUBFZBIKB-INIZCTEOSA-N	406.448	5.590	30	20	HKED	
CCN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21	508268580	ZCMZPJKDPKZIJE-QGZVFWFLSA-N	416.344	5.412	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)s1	508756904	WIQWQDPXXYAPFC-UHFFFAOYSA-N	407.442	5.577	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccccc2)n1	515157451	QQQDIRVTIIUPKO-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C[C@@H](Nc1ccccc1COCc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1	515647612	MYZWQUAWRQJNNC-QGZVFWFLSA-N	419.912	5.368	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc(OCC(F)F)cc3)cc2)ccn1	516940212	QXBPSAMAGVKXKE-UHFFFAOYSA-N	410.380	5.033	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)CCC2	517265831	YGWLOBXEBOAYOH-FQEVSTJZSA-N	419.510	5.052	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cc(Br)ccc2o1)c1ccc(Cl)c(Cl)c1	517605513	HPMCZIGOQNZNPS-AWEZNQCLSA-N	424.081	5.497	30	20	HKED	
CCOc1c(Cl)cc(CNC2CCC(Oc3ccccc3C#N)CC2)cc1OC	517708751	AKCOEULBBRAAIY-UHFFFAOYSA-N	414.933	5.099	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1	518654213	JPGTVLAUZUMXSY-UHFFFAOYSA-N	421.884	5.293	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2	519368050	ZVLVNSUVHFIWHM-CQUHBBLWSA-N	415.924	5.607	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)c3cc(C4CC4)nc(SC)c3C#N)c(C)c2c1	521641677	QGWLTVFUZSWMBH-CYBMUJFWSA-N	421.522	5.107	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1	521717469	YHAGMPLWGOBLHH-HZPDHXFCSA-N	401.329	5.197	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCC1CC1)c1nc(-c2c(F)cccc2F)cs1	522473574	ZPLZFHKPNADNKF-OAHLLOKOSA-N	410.445	5.367	30	20	HKED	
N#C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	530637836	RLIPOHMFGMLRTP-HZPDHXFCSA-N	416.321	5.002	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	534771533	GPNOMPGFHUIYJQ-XMSQKQJNSA-N	407.583	6.431	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1COc2ccccc21	535889965	XGLOITGTVKUZGR-VGSWGCGISA-N	414.530	5.145	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc(C4(C#N)CC4)cc3)s2)cc1	537423856	VVUZNSGMSNORNJ-INIZCTEOSA-N	401.535	5.473	30	20	HKED	
CC(C)C[C@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	540813297	DHGXWKWTDIBJIR-GGAORHGYSA-N	421.541	5.047	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1ccc(Br)c2cccnc12	542232478	SMPHUKNUJJXLPV-CQSZACIVSA-N	412.356	5.861	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC(F)F)c(F)c1	549337860	FHRINKWUAGWQEH-UHFFFAOYSA-N	413.355	5.047	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(Cl)cc(F)c1Br	550178575	MPUVPUYPDZOUFU-UHFFFAOYSA-N	411.658	5.153	30	20	HKED	
Cc1c(C(=O)Nc2cccc(Cl)c2OCC(F)F)sc2ccc(C#N)cc12	552196160	XRFCOUZNSWTOBM-UHFFFAOYSA-N	406.841	5.631	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1	553049663	GBAGSZGIDICSQP-UHFFFAOYSA-N	401.507	5.293	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccccc1N(C)C	570431607	SCQURUYNMMRSOK-UHFFFAOYSA-N	414.509	5.389	30	20	HKED	
Cc1cccn(Cc2c(F)cccc2NC2CCC(C#N)(c3ccccc3)CC2)c1=O	574627077	LFDSKVZUFLMGAD-UHFFFAOYSA-N	415.512	5.160	30	20	HKED	
CC(C)Oc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	583040085	ZIEVCZSGIUSFOR-UHFFFAOYSA-N	409.433	5.146	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	588235946	VPJSTWUAMYBFNQ-NRFANRHFSA-N	416.481	5.369	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)Cc2cc(Br)ccc2F)c1	589741392	CKVPHXIHWALMAU-UHFFFAOYSA-N	407.283	5.207	30	20	HKED	
COc1ccc(-c2nc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cs2)cc1OC	603529944	ZOGFTHFTAZUXPX-UHFFFAOYSA-N	421.522	5.002	30	20	HKED	
COc1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	603533175	RHVPQZIBPVYXEC-UHFFFAOYSA-N	402.469	5.180	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2ccccc2)cc1F	604488231	CJPRAOOPQNYAQJ-UHFFFAOYSA-N	405.429	5.621	30	20	HKED	
CC(C)c1ccc(C(C)(C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	609385777	QVGYUMKJNDUOON-SFHVURJKSA-N	409.599	5.525	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	609428148	ARDWELCHQVHCAG-ZWKOTPCHSA-N	417.534	5.868	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	609716688	MSZIJJXHBQLWLC-PMERELPUSA-N	418.562	5.356	30	20	HKED	
C[C@H](Nc1cc(C#N)c2ccccc2n1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	609892865	VDZYCDJXVUSPCP-INIZCTEOSA-N	410.452	5.671	30	20	HKED	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610015287	DDJUXGWKKWMSET-QUCCMNQESA-N	412.493	5.464	30	20	HKED	
C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	610017121	HZLKBPGBUGOLOF-MRXNPFEDSA-N	401.441	5.641	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cc2)c1	610048128	IOUCYMJYCBQLHT-UHFFFAOYSA-N	415.880	5.453	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(C4CCCC4)CC3)c2)c1	610321757	SMAZDZLGTNZHEA-UHFFFAOYSA-N	416.525	5.245	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CNC2(c3cccc(C#N)c3)CC2)cs1	611396097	RHSXTKUWKNZHPN-UHFFFAOYSA-N	416.550	5.095	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](c2ccco2)C1	614137876	YSVWQETUSBSFKP-OXJNMPFZSA-N	402.454	5.344	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	619508210	PFNWQGOFKZKAJQ-LHHMISFZSA-N	404.398	5.825	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nnc2n1CCCCC2	642280887	CZWPPXGVXOUCMY-JTQLQIEISA-N	405.310	5.016	30	20	HKED	
O=C(O)C(=O)/C(=C\c1ccc(-c2ccccc2F)s1)c1ccc2ccccc2n1	728156735	NTYFSLNWAWKRPE-LGMDPLHJSA-N	403.434	5.297	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccccc1Cl	730954729	IXSXOVSRVMDMBC-UHFFFAOYSA-N	415.893	6.173	30	20	HKED	
COC(=O)c1cc(C(C)(C)C)sc1NC(=S)Nc1ccc(C#N)c(Cl)c1	732625208	CZDMMXWKQJPJKT-UHFFFAOYSA-N	407.948	5.166	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(Br)cc1	733254137	SWSJHMABXJCMKG-CQSZACIVSA-N	415.234	5.056	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)Nc2ccc(C)c(NC(C)=O)c2)s1	733617492	IBGYVXMXSGNQPB-UHFFFAOYSA-N	403.552	5.352	30	20	HKED	
COc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	734304986	CZNHXAIGJGGHEF-ZDLGFXPLSA-N	419.408	5.144	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1csc(-c2ccccc2Cl)n1	735348645	HJSHHAWHOJWUBC-UHFFFAOYSA-N	419.289	5.376	30	20	HKED	
CC(C)c1ccc(CSc2nn(CN(CCC#N)C(C)C)c(=S)s2)cc1	739845782	KOIKKCVBDPLVIB-UHFFFAOYSA-N	406.646	5.671	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)cc(OC)c1OC	741845339	ZPDSTPDHAXRZNP-RUDMXATFSA-N	412.429	5.263	30	20	HKED	
CC(C)CN(C(=S)Nc1ccccc1Oc1ccccc1)c1ccc(C#N)cc1	745686434	AKHYXPMEPYSGOF-UHFFFAOYSA-N	401.535	6.210	30	20	HKED	
N#CCOc1ccc(CNC(=O)N(Cc2cccc3ccccc23)C2CCCC2)cc1	745800073	WGPDAHXTIHSGBF-UHFFFAOYSA-N	413.521	5.397	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)n1	750742176	LPEMPKTXLOWITJ-IUODEOHRSA-N	415.971	5.825	30	20	HKED	
CCCCc1nnc(S)n1N=Cc1nc(-c2cc(Cl)ccc2Cl)cs1	755510145	CWYFFOSJRQVDKY-UHFFFAOYSA-N	412.371	5.222	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	760195158	IRAOXDBYBAPKJU-DOMZBBRYSA-N	415.827	5.170	30	20	HKED	
C[C@H](Sc1ccccn1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	762067011	FIEOPWYFQUIHHT-JQWIXIFHSA-N	407.442	5.067	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(NC(=O)c3ccco3)cc2)cc1	765362659	IIASFHSSCDHSEE-QGZVFWFLSA-N	410.901	5.514	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)cs1	766696574	UXKHLERAPCAXOP-YQODDJSKSA-N	402.519	5.828	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1ccc(C=Nn2c(CC)nc3ccccc32)cc1	767364243	XSJORFBDKFBYFT-UHFFFAOYSA-N	420.520	5.275	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(-c3cccnc3)c2)cc1	767584755	POYGKOBWAJOXDK-SANMLTNESA-N	418.500	5.726	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)n1	769304282	RPMQFGJKAJHAPF-KRWDZBQOSA-N	411.527	5.007	30	20	HKED	
COc1cc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)ccc1OCc1ccccc1	776159402	WGTHKPSAOSSYAY-WOJBJXKFSA-N	416.521	5.588	30	20	HKED	
Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C	781310954	WPQIEQVLUWEVDY-OAHLLOKOSA-N	416.930	5.147	30	20	HKED	
COC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1	781448657	LFETVGXMYGQBOT-ABIUDSBCSA-N	409.338	5.498	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@H](C#N)c2nccc3ccccc23)c1	792104041	NNOFOKSJUBKXGO-VWLOTQADSA-N	406.485	5.541	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(N(C)c3ccccc3)nc2)S1	797787619	WWIQVUUTEGFNEY-ZHZULCJRSA-N	414.534	5.358	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCCCC3)cc2C)c1	806633356	MZZDSDHBDSLUNF-JOCHJYFZSA-N	420.557	5.378	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1	809889075	QHYHIMDADZNJJY-BUXKBTBVSA-N	404.297	5.557	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1	814304911	AFFSVORNTJPMMX-QFIPXVFZSA-N	414.534	5.521	30	20	HKED	
Cc1nc(C)c(C#N)c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	826109519	YOQAELLAMTUAQY-UHFFFAOYSA-N	402.483	5.111	30	20	HKED	
N#CC1(c2ccccc2)CCC(=NNC(=S)Nc2ccccc2C(F)(F)F)CC1	915927430	MPCJNLGODGWJJG-UHFFFAOYSA-N	416.472	5.383	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1O	916130267	MEEMLDNKTSPKTF-RQOWECAXSA-N	407.647	5.459	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1cccs1	916158986	BRXVWYTXNDCQFR-NRFANRHFSA-N	406.482	5.154	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2ccccc12	916918095	LSLWIHHKYAXPSM-SFHVURJKSA-N	411.288	5.427	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2c[nH]c3ccccc23)cs1	917560477	OBBVZAMSMYPQJO-FMIVXFBMSA-N	401.491	5.514	30	20	HKED	
CN(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	917775069	WHBBRXLSOKBVEI-UHFFFAOYSA-N	401.535	5.023	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2sccc2s1	918486946	HJKUPBWBEJZJRO-OAHLLOKOSA-N	418.499	5.716	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1	919773272	AFHVXGWCDICDPX-DHIUTWEWSA-N	415.468	5.517	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1	920140694	JHXVLOLSRBJDEQ-HNNXBMFYSA-N	412.301	5.408	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc2nc(O)oc2c1	1534333775	IWBCUAAAHRZWFJ-CQSZACIVSA-N	415.474	5.047	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC)cc3)cc2)CCC1	1787994883	MKGOMSFMAMKFPJ-UHFFFAOYSA-N	417.553	5.244	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831695714	ZXLXTHSBEFWFLO-JBACZVJFSA-N	424.576	5.034	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1cccc(O)c1	10174302	AUZDQDAZRYYREF-UHFFFAOYSA-O	419.570	5.218	30	20	HKED	
COc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)n2C)cc1	22415891	ZBLPTJDYAZFPOQ-UHFFFAOYSA-N	412.518	5.322	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	45244645	RDHIKBSDRKREMF-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccsc2)cc1	48161872	WHVSFHUQNYHCOI-HSZRJFAPSA-N	417.534	5.762	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccccc1Cl	49723739	POUXJSQEEPELFN-UHFFFAOYSA-N	407.857	5.115	30	20	HKED	
C[C@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCCCC#N	102044644	RHAPCQJGTYVZIL-TVFCKZIOSA-N	414.550	5.389	30	20	HKED	
COc1cc(OC)c(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl	115078342	JELIOFACSSCKOL-UHFFFAOYSA-N	424.909	5.632	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@@H]3CCCO[C@@H]3c3ccccc3)c2)c1	237854032	ORXFVPDNVTWZFS-AHKZPQOWSA-N	412.533	5.395	30	20	HKED	
CC(=O)c1ccc(C#N)c(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1	302108781	ORJUZXKYSXLTLU-UHFFFAOYSA-N	403.309	5.253	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2)c1	303292998	BLDPJRCQBOHWJL-DEOSSOPVSA-N	414.461	5.161	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3c[nH]nc3-c3ccc(Cl)s3)n2)c1	427632226	CIDHUMLWUISAQS-UHFFFAOYSA-N	411.899	5.039	30	20	HKED	
N#Cc1cccc(C2(C(=O)N[C@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)c1	435360169	BDQQCMKMGSUTNS-FQEVSTJZSA-N	417.509	5.046	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1	436348993	BKDSEAUHCIMIFJ-CTNGQTDRSA-N	421.953	5.304	30	20	HKED	
COc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C(F)(F)F)c1	437736959	NHLXSJVFUXFJBS-LPHOPBHVSA-N	403.404	5.018	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)s1	438039022	PBQGNECPQCBKCR-ZFWWWQNUSA-N	402.589	5.633	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1	438834572	AELMMUQBDLLXCM-CYFREDJKSA-N	413.521	5.767	30	20	HKED	
Cc1nc(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc2)cs1	440712376	HMVQEAASVXVXJY-UHFFFAOYSA-N	415.440	5.195	30	20	HKED	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)c3cccc(C#N)c3)n2Cc2ccco2)C1	442906183	WSRVSERYWBCKHV-FGTMMUONSA-N	421.570	5.127	30	20	HKED	
Cc1ccc2c(CCNC(=O)Nc3ccccc3S[C@H](C)CC#N)cn(C)c2c1	444819465	RNNYXIYKMIFYBE-QGZVFWFLSA-N	406.555	5.245	30	20	HKED	
Cc1ccc(Br)cc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	447790339	XJVBMGRSJMWAPO-AWEZNQCLSA-N	419.344	5.169	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2cncc3ccccc23)cc1	462434566	AMRXTHAWKYTLQU-UHFFFAOYSA-N	423.491	5.407	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	463095675	FIQJKSIHDOEKFY-IRLDBZIGSA-N	414.530	5.360	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1cc(C(F)(F)F)ccn1	464413222	YHMXSBZMFCZENK-HNNXBMFYSA-N	419.453	5.339	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cc1C	465464353	FVHMMKXUPZNWFT-OFNKIYASSA-N	412.537	5.099	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	470496660	ZLAYBUNZXSIMTC-LJQANCHMSA-N	401.510	5.216	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	470897172	MBRBSLUOXPFHEW-HXUWFJFHSA-N	403.551	5.612	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccc(Cl)c1Cl	472347333	GFKIAASMPMTKBO-CYBMUJFWSA-N	407.606	5.660	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1C	473951953	UTYGUHSHBWOODH-ZDUSSCGKSA-N	419.337	5.464	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1cccc(C(F)(F)F)c1	474552498	UJKIAFWBOGFJNZ-RTWAWAEBSA-N	400.444	5.326	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(SCCOC)cc1	475544676	BJTCBJQJNSDRJK-GOSISDBHSA-N	412.599	6.160	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl	476785256	INNGPNUYRYURSW-AWEZNQCLSA-N	419.352	5.602	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1	477736343	AACWRPJRLFJQPW-KNQAVFIVSA-N	416.468	5.146	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c1	481699105	JZIBEHVMTQFSEG-LJQANCHMSA-N	405.420	5.054	30	20	HKED	
CC(C)c1c(NC(=O)CSc2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1	482744867	NNGWVWOUUNMHKJ-UHFFFAOYSA-N	410.930	5.252	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4c(F)cc(F)cc4C3)c2)cc1	483330937	NGRIJQAKCPEAGV-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)CSc3ccc(C#N)cc3)c2)cc1	483475427	ZULSYKYSYWNESP-UHFFFAOYSA-N	418.518	5.014	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(COc2cccc(Br)c2)o1	484468259	PHPMZMINNILOGH-UHFFFAOYSA-N	419.319	5.166	30	20	HKED	
C=CCN(CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)s1	485015216	TZJPLQZCQKAZGG-UHFFFAOYSA-N	402.869	5.437	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c1	485625777	YYIBSSCCXRSNPR-SANMLTNESA-N	419.484	5.052	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cccc(OC(F)(F)F)c1	500219501	URSZGHWPGCUQHQ-UHFFFAOYSA-N	411.273	5.308	30	20	HKED	
O=C(CC1(C(F)(F)F)CC1)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F	504227107	TZKAKZLPGBQCHK-LLVKDONJSA-N	409.248	5.037	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)N1CCCC[C@H]1C(F)F	504853504	SQWQCEDZMXICGO-NSHDSACASA-N	402.310	5.001	30	20	HKED	
N#Cc1ccc(CC(=O)N(Cc2cccs2)c2ccc(Br)cc2)cc1	505059068	GIHPZDSTZLZTKL-UHFFFAOYSA-N	411.324	5.158	30	20	HKED	
Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	506650299	FOUAZSCNWRQHSU-JLTOFOAXSA-N	422.916	5.526	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1Cl	507165828	BGPVECUKDBVDEB-ZDUSSCGKSA-N	416.308	5.132	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)cs1	510051374	UIEFOJQIUOIWIQ-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(Br)c1)c1nc2ccccc2n1C(F)F	511914221	KNBPSHIJFWJZDA-JTQLQIEISA-N	424.632	5.337	30	20	HKED	
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	512380460	BTKZXTIKKADHDE-INMHGKMJSA-N	411.361	5.471	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nc2ccccc2s1	513687265	OXSKABXCPMFYSL-SFHVURJKSA-N	424.481	6.112	30	20	HKED	
CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	513863313	GUALEGVFWREMQH-DEOSSOPVSA-N	413.477	5.128	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(COc2ccccc2C#N)o1	515636693	BSGDBNHJDXIFSU-GOSISDBHSA-N	400.478	5.171	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)cc(Cl)c3)n2)cc1	516714214	VJUCUAOJMUMLKQ-MRXNPFEDSA-N	403.290	5.616	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1	518549000	SSRCRFHISRQJLG-HSZRJFAPSA-N	415.468	5.642	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc(C3CC3)nc21	520829613	HHCQGRYXCAAJQA-OAHLLOKOSA-N	419.554	5.394	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	520833940	OORVNYPMEMMECI-HNNXBMFYSA-N	421.488	5.767	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2)c1	520918093	VGJNTCITIUGIEP-UHFFFAOYSA-N	409.445	5.577	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1	521910730	MHJOGNZIRKTCMB-UHFFFAOYSA-N	400.463	5.229	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	523003154	KGYOJPMAVYHIBO-QHCPKHFHSA-N	417.578	5.832	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCCC[C@H]3c3ccco3)c2)cc1	523026748	IUZDYUXROFDJNQ-QFIPXVFZSA-N	401.466	6.093	30	20	HKED	
Cc1cc2c[nH]nc2cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	523947621	BMVCWQQHYXSPQP-UHFFFAOYSA-N	402.841	5.441	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	524105391	AVGBTMIJZFZZRA-MSOLQXFVSA-N	411.288	5.795	30	20	HKED	
CCOC(=O)CCc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	525348230	PRXHVVCCOODMKQ-MRXNPFEDSA-N	411.527	5.221	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccn(CC(F)F)n2)cc1Cl	527331946	GJYMQPDDCYFPPH-INIZCTEOSA-N	415.831	5.101	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCOc2c(Cl)cccc21	537255377	TZWYTPYTCOMPJQ-PBHICJAKSA-N	415.946	5.627	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2coc(-c3ccccc3Cl)n2)cc1	537345910	QNRAEAYYBXMALJ-UHFFFAOYSA-N	419.790	5.071	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c1F	540348161	QXFDJGOYNBEASQ-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
C=CCCC[C@H](C)NC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	540553269	ALZPMFXAFMMLRZ-ZDUSSCGKSA-N	421.328	5.507	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1Nc1ccc(F)cc1	540795997	AMPTTYRDAQLBFS-UHFFFAOYSA-N	416.456	5.188	30	20	HKED	
Fc1ccc2nc(CN[C@@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)oc2c1	542946914	FNDKQGSHEVAZES-HNNXBMFYSA-N	408.273	5.259	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3scnc3C3CCCC3)n2)cc1	544817494	KIDMITLQJICPLT-INIZCTEOSA-N	409.536	5.423	30	20	HKED	
C[C@H](CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1	552075893	MRTZLOUVTCNQID-CQSZACIVSA-N	404.407	5.058	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1	553119521	PDDNVYSTACIRQG-UHFFFAOYSA-N	402.951	5.393	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)c1c(F)cncc1F)c1ccc(C(F)(F)F)cc1	553992511	JGCAPKFUNPBBST-SJCJKPOMSA-N	413.390	5.446	30	20	HKED	
CC(=O)N(Cc1ccc(Nc2c(C#N)cnc3c(F)c(F)c(F)cc23)cc1)C(C)C	561230418	ORMPSWUJGKMVEO-UHFFFAOYSA-N	412.415	5.024	30	20	HKED	
N#CCc1ccccc1NC(=O)c1cccc(OCc2ccccc2Br)c1	561798485	YFNSXYKQDDVEOW-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1)C1CC1	573158717	AXZDVRHXURZWIY-UHFFFAOYSA-N	411.461	5.118	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CCC(F)(F)CC1	573951193	DZUAGZLYDZHOHI-UHFFFAOYSA-N	404.844	5.654	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1	581585211	JQKATZGTYCVRPT-SFHVURJKSA-N	414.303	5.007	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccccc1SCC(F)(F)F)c1ccccc1	590104339	AMRYEAUVIXRZTO-MRXNPFEDSA-N	407.461	5.898	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)s2)cc1	592974062	NHKCTMKPGYJUKZ-HNNXBMFYSA-N	423.494	5.366	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2)cc1	604456967	BSICFTWZCOQJII-XMMPIXPASA-N	414.461	5.161	30	20	HKED	
C[C@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	607805322	WDFUGBOTSUAMEP-DCAQKATOSA-N	421.303	5.398	30	20	HKED	
N#CCCCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c1	608860488	QNDOXFKPQMQBSC-RUZDIDTESA-N	411.505	5.178	30	20	HKED	
COc1ccccc1CCN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1	609182182	IZVMHXWCOIKMTM-UHFFFAOYSA-N	416.546	5.174	30	20	HKED	
Cc1oc(-c2cccs2)nc1CSCC(=O)Nc1cc(Cl)ccc1C#N	609235481	GGPRGEGCFDRRDJ-UHFFFAOYSA-N	403.916	5.109	30	20	HKED	
Cc1ccc(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	609378398	JLEHXGCWDZPTGV-UHFFFAOYSA-N	408.445	5.346	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1Cc2ccccc2-c2ccccc21	609385293	OWJNQIFFDCLQQB-GOSISDBHSA-N	413.546	5.707	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1	609402810	BDPDTNGKCXSQJM-SJORKVTESA-N	415.584	5.213	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc21	609427616	ROOYNLUAPVVFLF-MRXNPFEDSA-N	421.566	5.551	30	20	HKED	
COc1cccc(C2(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCC2)c1	609436532	OSIYQCVVSMABIW-GOSISDBHSA-N	423.582	5.723	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1O[C@H](C)c1ccccc1	609652372	RUTQTFYDIHQGAP-HXUWFJFHSA-N	416.525	5.125	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(Oc2cnccn2)c1	609906745	LRUILZBLBIRLHB-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)c2)c1	610040103	CWQQDXYYEAQTBC-UHFFFAOYSA-N	415.880	5.453	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c(Cl)cccc4C3)cc2)cc1	610094410	FKFNLLFWQIUILC-UHFFFAOYSA-N	403.869	5.594	30	20	HKED	
N#CCn1c(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)cc2ccccc21	610122143	FMAZEEQAQDCUAK-UHFFFAOYSA-N	423.847	5.725	30	20	HKED	
N#CCn1c(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc2ccccc21	610231075	PDKBIJFSYNGBKJ-UHFFFAOYSA-N	424.891	5.537	30	20	HKED	
COc1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)ccc1OCc1ccncc1	611391106	SXFYYGUPQZMHJR-UUOWRZLLSA-N	413.521	5.269	30	20	HKED	
Cc1[nH]c2ccccc2c1Cc1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1	612922143	RHUBSZCRTXLRCH-UHFFFAOYSA-N	407.433	5.176	30	20	HKED	
CCSc1cccc(F)c1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	685699636	KUIBNODLPLWLMG-UWVGGRQHSA-N	418.378	5.532	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=S)NCCc1ccc(Cl)cc1Cl	726462372	KOTPKDDFXUASOA-UHFFFAOYSA-N	406.382	5.194	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCCc1nc2ccccc2s1	726755290	GJBKTWWZFQOXQF-UHFFFAOYSA-N	414.534	5.145	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)c1C	726802235	XTISHFCBBJPINS-XSFVSMFZSA-N	408.548	5.392	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1F	726858313	HURAPJAPCMFQPL-RISCZKNCSA-N	406.404	5.824	30	20	HKED	
FC(F)(F)COc1ccc(NN=Cc2cccc(OCc3ccccn3)c2)cc1	727262712	VDTSPQWWIDIUKC-UHFFFAOYSA-N	401.388	5.048	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCc1ccc(OCC#N)cc1	728127605	ZKHGDGVPERYBNA-LJQANCHMSA-N	415.493	5.359	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1)c1nc2ccccc2o1	730071902	UDMAFVNSBNPIBA-ZHRRBRCNSA-N	418.905	6.191	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	733621006	GNFWNUVYMXSHIY-QHCPKHFHSA-N	401.466	5.011	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c1	733804665	HIHDBRLJEVBJBN-DNVCBOLYSA-N	419.447	5.289	30	20	HKED	
Cn1nc(-c2ccccc2)c(C=NNc2ccc(Br)cc2F)c1Cl	734747964	FGBPEDGLGSGSPY-UHFFFAOYSA-N	407.674	5.088	30	20	HKED	
COc1cc(C2SCCS2)ccc1OCc1cc(Cl)ccc1OCC#N	735303544	USFSKBFGSLRSRC-UHFFFAOYSA-N	407.944	5.309	30	20	HKED	
COc1ccc(-c2nc(CSCc3cc(Cl)ccc3OCC#N)cs2)cc1	735318982	UCNLJSIEBMFSPZ-UHFFFAOYSA-N	416.955	5.808	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1csc(Cc2ccccc2F)n1	735425213	HHODERYJWGDDON-UHFFFAOYSA-N	416.861	5.016	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)s1	736432837	GMILPDMJUZYVKR-FNORWQNLSA-N	403.397	5.540	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740059902	MQQALCWIFYMQOK-HNNXBMFYSA-N	409.942	5.843	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21	741194822	OOQORVRZZLTCIF-FOIQADDNSA-N	404.491	5.070	30	20	HKED	
Cc1ccc2c(c1)OCCN2C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	741629208	KCCSOMUZYGOCRM-UHFFFAOYSA-N	404.853	5.352	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3csc(C)n3)c2)cc1	744032595	HKURRUDVUIGVMJ-BTYIYWSLSA-N	417.534	5.593	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2)cs1	744035031	MTKNTRDKMMEQEQ-OWCLPIDISA-N	414.864	5.722	30	20	HKED	
O=[N+]([O-])c1cccc(-c2nc(C=NOCc3ccc(C(F)(F)F)cc3)cs2)c1	746575644	FYFDOWGYZSPZED-UHFFFAOYSA-N	407.373	5.288	30	20	HKED	
O=C(O[C@H](c1ccccn1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	747340992	YHJPGGGDDCZYLU-GFCCVEGCSA-N	417.227	5.580	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	749047707	GQCOXBSIZSYKDA-SFHVURJKSA-N	410.926	5.670	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)NC12CC3CC(CC(C3)C1)C2	751006808	HTBWUVIIIXCFMU-UHFFFAOYSA-N	401.579	5.408	30	20	HKED	
Cc1oc2c(CN(C[C@@H](C)C#N)C3CC3)c(O)ccc2c(=O)c1-c1ccccc1Cl	753989050	XEMYETKITDQZOW-AWEZNQCLSA-N	422.912	5.252	30	20	HKED	
C=C(C)[C@H](CC(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21)OCC	756468240	AMQGKXHGUDKNJF-LPHOPBHVSA-N	411.523	5.119	30	20	HKED	
CCC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	756923698	JDZBAZLEFJMHNB-GDNZZTSVSA-N	413.333	5.058	30	20	HKED	
CC[C@@H]1CCCC[C@@H]1OCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	766851018	AXFHPOQKXYIVKW-TYILLQQXSA-N	404.482	5.250	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(COc4ccccc4)c3)CC2)cc1	767854305	VQBGDPVQPXAKFI-UHFFFAOYSA-N	409.489	5.458	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C	767934706	OAVCBTLHXMIVOF-QGZVFWFLSA-N	406.577	5.216	30	20	HKED	
CCCOc1ccc(C=NOCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1OC	768512266	QPKHZDUCJFBDGF-UHFFFAOYSA-N	414.889	5.652	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(C(C)C)cccc32)ccc1OC	772984425	FLCIVGDVZAJPBE-SIKLNZKXSA-N	408.542	5.503	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2cn(C)c3ccccc23)cc1	773978077	QYKBNMZGQBHXDE-XGHQBKJUSA-N	401.510	5.143	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Br)c(C)cc2C)c1	777001620	MSFYIEFOLWPGKV-MRXNPFEDSA-N	416.319	5.069	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	780154579	VWFXJTHEOYISQE-NYHFZMIOSA-N	424.472	5.728	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2csc(Cl)c2)cs1	787187220	ZLISFXJRGZXBAL-DAXSKMNVSA-N	406.891	5.578	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nccc2ccccc12	792095558	LQKMCTHWRUJLBI-NBGIEHNGSA-N	414.411	5.510	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	798287152	CGNRIEQWVVMZOH-ZNMIVQPWSA-N	404.388	5.434	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1ccncc1	798414010	BSIPBTJWWUFDRW-LJQANCHMSA-N	421.438	5.388	30	20	HKED	
CC(C)(CCC#N)COC(=O)c1ccc(Oc2cccc(Br)c2)nc1	798877441	GKCJURGBFCGQIZ-UHFFFAOYSA-N	403.276	5.123	30	20	HKED	
COc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1CN1CCCCC1	815636450	VNUIVBKGPYHVOA-BWKNWUBXSA-N	405.586	5.767	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccnc3cc(Cl)ccc23)cc1	914772076	JGPSFARLZRRCRP-UHFFFAOYSA-N	409.921	5.598	30	20	HKED	
C[C@@H]1Sc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2NC1=O	915087851	AORAOZHBKCESIM-YWZLYKJASA-N	413.502	5.027	30	20	HKED	
N#C[C@H](C(=O)[C@H]1Cc2ccccc2S1)c1nc2cc(C(F)(F)F)ccc2s1	915103683	BOCMXNGLUOKUCJ-MLGOLLRUSA-N	404.438	5.208	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3nc4ccccc4o3)cccc2c1=O	915105285	ZCIVLDKJNYADJT-IBGZPJMESA-N	420.424	5.400	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1OC(F)F	916126520	CQDCUXGMKIRAPP-SOFGYWHQSA-N	415.348	5.361	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)c(-c2ccccc2)n1	916154411	JDHLNPOICXHPEW-NTCAYCPXSA-N	410.521	5.350	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1Cl	916886506	HGVFDRMREFSCFN-INIZCTEOSA-N	422.884	5.243	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1	916897014	SCSWNHSJUIBCKN-KRWDZBQOSA-N	409.898	5.042	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1	1789455150	MCROILSCUWWFCA-QFIPXVFZSA-N	406.526	5.115	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1828823108	PGESBWWHXMOEOS-ZEQRLZLVSA-N	414.634	5.345	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1828823639	VXALDVOYMUYJCR-LOSJGSFVSA-N	422.613	5.007	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2cc(C)c(OC(F)F)c(C)c2)S1	7165146	IKMAOVWMEHQYNL-MHWRWJLKSA-N	402.466	5.413	30	20	HKED	
CCCCc1ccc([C@@H](NCC(=O)Nc2ccc(CC#N)cc2)c2cccs2)cc1	15360510	XDNWRCMAJICFLI-RUZDIDTESA-N	417.578	5.474	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cc(OC)c1OC	16407849	OFOWKFHOTLTSCT-CSKARUKUSA-N	421.474	5.478	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nn(-c3ccccc3)c(=S)s2)c1C#N	18474527	VUBQTLXQCYAFKR-UHFFFAOYSA-N	421.576	5.321	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1cccc(C)c1	22732027	XWCUYAFVBVNTME-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc2ccccc2n1)c1nc(-c2ccccc2)cs1	27443817	VREKGZFGBGCFPN-QGZVFWFLSA-N	401.516	5.327	30	20	HKED	
COCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	41538225	DNZWRSGVYGEVPP-MRXNPFEDSA-N	417.317	5.753	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1	57265034	FQZJFXQTKFBUCH-UHFFFAOYSA-N	416.452	5.177	30	20	HKED	
COc1ccc(CCCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	61160025	FERQDEHWLFUDEI-UHFFFAOYSA-N	400.478	5.107	30	20	HKED	
COC(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	303446496	ZPZYMLSXOGTLMH-UHFFFAOYSA-N	414.461	5.017	30	20	HKED	
C[C@H](N[C@H](C)c1ncc(Br)cc1F)c1ccc(-c2cccc(C#N)c2)cc1	427863136	XYIMYMHJBNOXNQ-LSDHHAIUSA-N	424.317	5.934	30	20	HKED	
C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cn1	429430705	VIOBRYPZIBXKSP-HNNXBMFYSA-N	419.460	5.088	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	433418805	WFIJLISDYZHNFG-XBLGPDGASA-N	406.448	5.433	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c1	433719085	NKRCQGSFMIHULT-NFAYLAGKSA-N	414.374	5.247	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1	437319298	DLFRFANPGNHLLY-WIYYLYMNSA-N	420.484	5.415	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1F	437461268	JREVLOMUDRVNLZ-UHFFFAOYSA-N	407.253	6.110	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCC3CC3)CC2)cc1Cl	437782363	YADHONQPCJFGDJ-QFIPXVFZSA-N	423.944	5.418	30	20	HKED	
C=C[C@](C)(CCOC)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	437845520	VGEIZNQPNDXYRC-OAQYLSRUSA-N	420.431	5.125	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)cc1	438031412	GDPBEXNGZZHIOP-JWQCQUIFSA-N	422.488	5.654	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)s1	438039020	PBQGNECPQCBKCR-HIFRSBDPSA-N	402.589	5.633	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1ccccc1	438839905	WGPHXQAHLYCJCL-SFTDATJTSA-N	409.942	5.835	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3Br)o2)c(Cl)c1	438891640	CYSLVZBRBFWOMZ-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
CCCc1c(NC(=O)N2CCCCC[C@@H]2c2ccco2)cnn1-c1cccc(C#N)c1	439685591	ZWELPLYFUYFZGV-JOCHJYFZSA-N	417.513	5.439	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1	441100426	YXALTFXFRZUNBZ-KBPBESRZSA-N	423.460	5.862	30	20	HKED	
C[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1	441262302	PROWUFBAZKJAEJ-ACJLOTCBSA-N	407.461	5.050	30	20	HKED	
C=CCn1c(S[C@@H]2CCc3c(Cl)cc(Cl)cc32)nnc1-c1cnccn1	443526039	BUFLZMOGFCLVQK-MRXNPFEDSA-N	404.326	5.008	30	20	HKED	
Cc1cc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1F	445240628	UUYNHFXNOGHCPL-UHFFFAOYSA-N	417.484	5.443	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)c2ccc3ccccc3c2)c1C#N	445563951	MQJVMTJFFMGWTN-MRXNPFEDSA-N	412.518	5.361	30	20	HKED	
Cc1cc(-c2ncccc2NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cs1	446607415	WTMJELJIBUIOBF-UHFFFAOYSA-N	408.552	5.041	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1	447099648	RXQQERBSVFSKEK-GOSISDBHSA-N	407.514	5.209	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)c(C4CC4)c3)n2)cc1	447520768	LLHKIKIFYFOJHB-IBGZPJMESA-N	404.491	5.195	30	20	HKED	
COCCN(C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1ccc(C#N)cc1	460354221	IOTFBIOYIGUDKW-UHFFFAOYSA-N	406.869	5.297	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1	462844969	KCXHHBGOXFFYQC-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)c1ccc(Br)s1	463761124	UBWONZSPEJLLIE-IUODEOHRSA-N	405.361	5.293	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)C(=O)Nc1nc(C)c(SCC#N)s1	466461263	QVLMBQMYQKEMMV-LBPRGKRZSA-N	424.389	5.037	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	466667001	VSCDTONKOQAPLF-HNNXBMFYSA-N	400.935	5.046	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1	467922638	YDTYXGCFXSRXEY-UHFFFAOYSA-N	418.497	5.136	30	20	HKED	
C[C@@H](CC(=O)N(CCC(F)(F)F)CC(F)(F)F)c1ccccc1C(F)(F)F	468533311	UGVWCPYRKPXNFU-JTQLQIEISA-N	409.292	5.542	30	20	HKED	
CN(CCCOc1cccc(Cl)c1)C(=O)c1cn(CCCC#N)c2ccccc12	469253729	VQWMJTYQLLPBRY-UHFFFAOYSA-N	409.917	5.140	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1	470127775	FGDQSKYLQMKZJA-UHFFFAOYSA-N	423.523	5.465	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccccc3C)n2)nnc1-c1cccc(C)c1	471210963	CIRKIJDPQXIQRJ-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
Cn1ccc2cccc(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c21	472321222	YTTBGUNKDXPXKN-UHFFFAOYSA-N	410.477	5.467	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	472754661	RNMONWHQXPEORQ-ROUUACIJSA-N	416.550	6.026	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)c1ccc(C#N)cc1	474238277	LIFQTIFFJPJKSR-OAHLLOKOSA-N	401.432	5.227	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(Oc2cccnn2)c1	478849432	CCXYVVZEXCDPCC-UHFFFAOYSA-N	415.371	5.105	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(COCCOC(C)C)c1)c1ccc(F)c(F)c1	480808803	AEGMAUBIQYSNEZ-JOCHJYFZSA-N	418.484	5.345	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(Br)c1	482162593	GSPMYHQLRSFBMS-UHFFFAOYSA-N	407.267	5.674	30	20	HKED	
C=CCN1CCC(N[C@H](C)c2sc(-c3ccccc3Br)nc2C)CC1	482636196	ZJUKXXKLMPBUCP-CQSZACIVSA-N	420.420	5.182	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1cnc2ccccc2n1	483201435	MVQAAKDOAKOJTJ-QGZVFWFLSA-N	401.372	5.190	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccsc4)s3)cc2)c1	484291565	FFYFTHHTAZSRFQ-UHFFFAOYSA-N	417.515	5.575	30	20	HKED	
Cc1cc(Cl)ccc1Cc1cnc(NC(=O)N(CCC#N)Cc2ccco2)s1	496468666	LNIXWXSHOUUTTM-UHFFFAOYSA-N	414.918	5.237	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc([C@H]4CCCOC4)c3)cc2)c1	499719806	MBMLRWPBHDUISQ-QHCPKHFHSA-N	412.489	5.284	30	20	HKED	
COc1ccc(OC)c(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	500740057	RNMOZSQPDLVUTL-UHFFFAOYSA-N	416.477	5.248	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(C4CCCCC4)c3C)n2)cc1	512721495	VDMGLDHQPMLACI-IBGZPJMESA-N	420.538	5.319	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@]4(CC=CCC4)C3)c2)c1	512724546	GGBMLXKPCOKQBB-VWLOTQADSA-N	414.509	5.165	30	20	HKED	
Cc1sc(CNC2CCN(c3ccc(C#N)cc3)CC2)nc1-c1ccc(Cl)cc1	513673799	XLVCEXPNRLMWMU-UHFFFAOYSA-N	422.985	5.402	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccccc1	514774223	XWGCYLUIHCNFLY-OAQYLSRUSA-N	420.582	5.503	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)oc2ccc(F)cc12	515624788	QPBICSPTZUTWRQ-UHFFFAOYSA-N	402.450	5.831	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCSc2ccccc2F)cc1	515655209	MSWCCLWGGXLMSM-UHFFFAOYSA-N	420.509	5.592	30	20	HKED	
C[C@H](Oc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cn1)c1ccccc1	516402071	NEEROXQGFTYTFC-SFHVURJKSA-N	401.466	5.156	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)ccc3Cl)CC2)c1	517646124	QDKAJEDNKULQDY-UHFFFAOYSA-N	416.908	5.562	30	20	HKED	
COc1ccc(CCCN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	517654068	IKTRQLBWLXQGJN-UHFFFAOYSA-N	414.505	5.258	30	20	HKED	
COCCn1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc21	517800729	FCDKXMCTJZTUJK-HNNXBMFYSA-N	409.898	5.041	30	20	HKED	
CCCCN(Cc1ccccc1Cl)C(=O)Nc1ccccc1S[C@@H](C)CC#N	518259979	RHKFTYGYDGCBJH-KRWDZBQOSA-N	415.990	6.568	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518903054	SGBRVNPFRLONSZ-UHFFFAOYSA-N	417.465	5.185	30	20	HKED	
CCOc1cccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	521126322	GFNYWKVTPYELTB-SFHVURJKSA-N	416.546	5.740	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1OCC	521826564	IWHLPCFZLCMOBT-RHSMWYFYSA-N	420.347	5.419	30	20	HKED	
C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccc2S1	521951589	KPKPPQJRPUFOEA-MRXNPFEDSA-N	401.491	5.277	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1	522640612	RBCNPNCVRDVJHP-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1	524457903	LSNPXMYDWYXXMB-UHFFFAOYSA-N	405.473	5.324	30	20	HKED	
C=C[C@@H](CC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1	534025830	RJPYZRLWEZTJLJ-HNNXBMFYSA-N	405.325	5.140	30	20	HKED	
CC(C)(C)c1nn(CC/C=C\c2ccc(Br)cc2)c(O)c1CCC#N	534632679	LAUVGKBNEKUEDL-DAXSKMNVSA-N	402.336	5.208	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)sc1Br	534679349	SYOIWBNQKUOQBV-SNVBAGLBSA-N	411.346	5.166	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1)c1ccccc1	537429856	GNTQUDFRMIWKPR-UHFFFAOYSA-N	423.516	5.090	30	20	HKED	
Cc1sc([C@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1ccc(Cl)cc1	539658303	UVONEDOZXITVMU-AWEZNQCLSA-N	421.953	5.818	30	20	HKED	
N#CC1(CCCSc2ncnc3scc(-c4ccc(F)cc4)c23)CCOCC1	540769444	MJCBJSDZVBNCSW-UHFFFAOYSA-N	413.543	5.690	30	20	HKED	
CCCCSc1ccc(Cl)cc1C(=O)Nc1nc(C)c(SCC#N)s1	541758647	KZXVNGUWJCKPKP-UHFFFAOYSA-N	412.005	5.865	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	543320872	RYQOAXMABOVQQU-VQTJNVASSA-N	402.523	5.422	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCCCCC4)nc3)n2)cc1	545449395	STTGPXUPOMOWCJ-FQEVSTJZSA-N	416.550	5.384	30	20	HKED	
C[S@](=O)Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	547230766	HUPHPAADOQSFSM-LJAQVGFWSA-N	424.909	5.135	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1	549379377	DMUDGKCWAZLBOU-UHFFFAOYSA-N	404.514	5.046	30	20	HKED	
CCn1cc(Br)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	549467892	FYUCHVBJWDVLSG-LLVKDONJSA-N	408.708	5.024	30	20	HKED	
C[C@](C#N)(NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)C1CCCCC1	550747940	KWTYWTLZZGIAQZ-XMMPIXPASA-N	423.582	5.302	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1	569058695	PQZFDTVJVNEGCK-MRXNPFEDSA-N	420.900	5.030	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1C1CCCC1	570253649	OQRXEQXMPQRVJL-UHFFFAOYSA-N	415.497	5.262	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccccc1	571485700	RURQEXYQDBOZPR-IBGZPJMESA-N	406.555	5.107	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]nc3-c3cccc(Cl)c3)cc2)ccn1	573259713	KHXBBOAAQRSPPN-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	582448499	IYZCYVQBGQIFQK-DNVCBOLYSA-N	413.447	5.132	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1[C@H]1CCCO1	584021696	FZDGSOKUFADJII-FCEUIQTBSA-N	423.944	5.417	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3sc(-c4ccccc4)cc3C#N)cs2)c1	603967793	AXQMELKYUDIUQI-UHFFFAOYSA-N	415.543	5.900	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(Cc3ccccc3)n2)sc2c1CCCCCC2	603996187	FEOODWPNBRTXPH-UHFFFAOYSA-N	421.591	5.507	30	20	HKED	
Cc1cc(CNC(=O)c2occc2COc2cccc(C#N)c2)c2[nH]c(C)c(C)c2c1	608806368	CFYFGESMGDBYHT-UHFFFAOYSA-N	413.477	5.067	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc(OC(F)F)cc1	609061643	GCWUDZIVJWMRSK-UHFFFAOYSA-N	422.431	5.228	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cc2ccccc2n1CC#N	609328066	VIAKHBCLFXVFPY-UHFFFAOYSA-N	411.509	5.209	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(Oc2ccccc2)c1	609401847	BRYLLOHLYBRRJI-QGZVFWFLSA-N	418.522	5.447	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	609432556	YNOSFHFNCSOCEA-MRXNPFEDSA-N	403.507	5.512	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)c2)cc1	609642787	PGXNKMHYGXRHFZ-QFIPXVFZSA-N	424.422	5.561	30	20	HKED	
CCOc1ccccc1Oc1ccc(CNc2ccc(C#N)cc2C(F)(F)F)cn1	609961471	OHLNPJVVPRYDCG-UHFFFAOYSA-N	413.399	5.775	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1	610402865	SMSRSDAZCSXYPP-UKRRQHHQSA-N	424.957	5.765	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1cccc(C#N)c1	611349338	CRKDLUZLGUHNHT-HNNXBMFYSA-N	401.432	5.227	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1C(C)(C)C	613404215	KDISAUNLOZJWOS-LBPRGKRZSA-N	420.460	5.319	30	20	HKED	
CCCc1c(NC(=O)Cc2c(C)nc3ccccc3c2C)cnn1-c1cccc(C#N)c1	615291001	RJKNGSKKUXROAH-UHFFFAOYSA-N	423.520	5.043	30	20	HKED	
O=C(CSc1ccc(F)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642157814	LBOQSMDYWSWOBO-IUCAKERBSA-N	421.353	5.083	30	20	HKED	
C=CCn1c(SCc2cccc(OC(C)C)c2)nnc1[C@H]1COc2ccccc2O1	643193914	CXQVGQDYCBFMPD-OAQYLSRUSA-N	423.538	5.056	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1nc2ccccc2n1C(F)F	683220718	GHEZYBHUHFUGNK-VIFPVBQESA-N	415.268	5.218	30	20	HKED	
C=CCN(C(=O)c1nccs1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	683730496	RPKRABWKTIWEDX-UHFFFAOYSA-N	403.532	5.766	30	20	HKED	
C=CC[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)c1ccccc1	684538792	WIRDYTASYZYMEX-SFHVURJKSA-N	418.522	5.086	30	20	HKED	
C[C@H](C#N)Oc1ccc(C=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1	727683437	JISQDKWDRYLZLF-CQSZACIVSA-N	417.469	5.234	30	20	HKED	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	731114298	MYZKVMHQIPUJRT-GOSISDBHSA-N	410.587	5.448	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	732496983	JOMVPOPDEMHFRL-ICSRJNTNSA-N	408.548	5.566	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Br)cc2Cl)c1	733841718	KCDMBQYPJQZDHQ-AWEZNQCLSA-N	422.710	5.105	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cc1)c1ccncc1	734678160	FDCZCISSDUJCOK-MOPGFXCFSA-N	400.320	5.008	30	20	HKED	
CN(C)Cc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)oc2ccccc12	739594759	QEOCWZMTSUHNCV-UHFFFAOYSA-N	415.518	5.025	30	20	HKED	
CC(=O)Nc1c(C)ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C	740443643	IMWPVPQPDZQPDS-UHFFFAOYSA-N	418.522	5.184	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c(SC)cc1OC	741166181	YHDFMZGMZUFUKP-CMDGGOBGSA-N	424.474	5.280	30	20	HKED	
C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)c1)C(=O)O	741843800	QLMLRAXGJIFFPX-PRFOUVDFSA-N	410.413	5.089	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)[nH]c1C	746882660	DHYZJPWFSPOHRO-UHFFFAOYSA-N	422.488	5.397	30	20	HKED	
Cc1ccccc1-c1noc([C@@H](C)ON=Cc2c(C)nn(Cc3ccccc3)c2C)n1	748100449	NMMUDDBNAQOLCF-LJQANCHMSA-N	415.497	5.018	30	20	HKED	
Cc1ccsc1CCCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	748834477	NKKZTYCNBSQZRR-HNNXBMFYSA-N	408.495	5.042	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1	750991175	QVVPNOZANMFTJS-HBRISMIWSA-N	401.579	5.597	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1C#N	752294667	KGJMSBGQNSHYEE-UHFFFAOYSA-N	421.284	5.097	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1SC(F)(F)F	752644151	ILCQQCFLYBQJNH-NVXWUHKLSA-N	405.445	5.602	30	20	HKED	
N#Cc1cc(NCc2ccc(Sc3ccccc3)cc2)ccc1N1CCC(O)CC1	754065072	PQPQBYKKHMHGHF-UHFFFAOYSA-N	415.562	5.283	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C(F)F)c2Cl)ccc1OC	758219495	HQPCSIWFFZKUCJ-ZDUSSCGKSA-N	423.847	5.289	30	20	HKED	
C/C(=C\c1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	759214554	YLUJIUILWTYQRG-XKOZXHHJSA-N	407.684	5.398	30	20	HKED	
N#Cc1cc(NC(=O)c2occc2CSc2ccccc2)c(Cl)c([N+](=O)[O-])c1	764312737	VNXOWJIYVTVERF-UHFFFAOYSA-N	413.842	5.257	30	20	HKED	
N#C[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccc(OC(F)(F)F)cc1	768140143	LLMLYSVPIGUHRW-GFCCVEGCSA-N	423.605	5.540	30	20	HKED	
C#CC[C@@H](OC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)c1ccccn1	781801264	QXRCSFCDYXIJMJ-QGZVFWFLSA-N	401.249	5.273	30	20	HKED	
N#Cc1ccc(CNC(=O)c2cc(Cl)ccc2Sc2ccc(Cl)cc2)nc1	782733714	TZGWFHXGVWFREZ-UHFFFAOYSA-N	414.317	5.341	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(Br)s2)C2CC2)c1	784042807	NMBZEWHNVHACJT-DNVCBOLYSA-N	405.361	5.432	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	789457128	SQYGAMRCGGTMCD-RTBURBONSA-N	415.578	5.496	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cn(C(C)(C)C)nc1Br	789718549	ICQMRQFKSZKOCF-UHFFFAOYSA-N	404.352	5.505	30	20	HKED	
C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Cl)c(C(F)(F)F)c1	791672824	RWGWIPXLSJISFK-BLLLJJGKSA-N	406.791	5.217	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1Cl	795013617	CQQWZLLTJNYKAD-UHFFFAOYSA-N	421.778	5.641	30	20	HKED	
CC(=NOCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(Br)cc1F	795246335	NJESLJKBLSONCZ-UHFFFAOYSA-N	424.657	5.232	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	798489231	ZLYZTVLHRDLYRB-BZNIZROVSA-N	416.321	5.089	30	20	HKED	
C#C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1F	806265942	SVHHGVINMQLETQ-SUMWQHHRSA-N	401.894	5.369	30	20	HKED	
CC(C)(C(=O)OCc1ccc(CC#N)cc1)c1csc(-c2cc(F)ccc2F)n1	810654859	AKMSHMVVPQGXCE-UHFFFAOYSA-N	412.461	5.175	30	20	HKED	
C#C[C@@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1	812352950	YQVGRWZLCRVIJM-LJQANCHMSA-N	412.917	5.110	30	20	HKED	
COc1cc(C=NOCc2cc(-c3ccc(Cl)cc3)no2)ccc1OC(F)F	913029690	LZAPTYYPZPBZJL-UHFFFAOYSA-N	408.788	5.156	30	20	HKED	
Oc1c(Cl)cc(Cl)cc1/C=N\C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	914702778	LXTTWZIZYNTOTD-FRPTVJDXSA-N	408.169	6.027	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915085100	GCWJMPLGVDEURT-HXUWFJFHSA-N	413.502	5.548	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	916628243	OAOJMNUWITYEGJ-HXUWFJFHSA-N	402.906	6.036	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	916848990	QQJZWUCPZQAGOZ-HXUWFJFHSA-N	412.518	5.006	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl	916933858	JUVAEQJEVZFHQC-SNVBAGLBSA-N	419.289	5.178	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917043390	KIIXSIAXGBSAEM-OAHLLOKOSA-N	422.403	5.490	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920141470	OILZOOPZWAYUHI-UZLBHIALSA-N	415.518	5.451	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3Cl)n2)cc1	920142581	LJUMEWNHRLQGIU-XJKSGUPXSA-N	412.898	5.116	30	20	HKED	
N#Cc1cccc(OCCOC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1	921223752	OFEXKTHEVLNIEV-UHFFFAOYSA-N	419.289	5.224	30	20	HKED	
C[C@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1	1790767966	UJOLKBAETMPJBB-WNSKOXEYSA-N	421.928	5.005	30	20	HKED	
CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1	1829956261	BJOBTOXSZCKVCW-RDPSFJRHSA-N	423.601	5.008	30	20	HKED	
Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c1C	10168124	MJFPPVCQOAHQBO-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(CC)cc2)nnc1-c1cccc(C)c1	22010903	JASKICYHNBXUQQ-QGZVFWFLSA-N	406.555	5.121	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cc(C)ccc2C)cc1	22729576	CEMBAAOLESZPPJ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2n1C(F)F	41558406	TTYDTMBFVAOOLT-LBPRGKRZSA-N	412.377	5.044	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1Oc1ccccc1Cl	53311247	NUQYQHRUARPHNQ-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cccnc1SCc1ccc(F)cc1	57375305	REHJUYZAGOKQLG-UHFFFAOYSA-N	407.470	5.036	30	20	HKED	
CC(C)Cc1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1	63595945	MHZBYICHLFPJTJ-UHFFFAOYSA-N	407.514	5.195	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)c1nnc(-c2cccs2)o1	63641509	TXKCWFSCUDBDFF-HNNXBMFYSA-N	402.479	5.944	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(N2CCC(O)CC2)cc1	97552581	RKMRSPQUSDIFPW-OVCLIPMQSA-N	413.517	5.123	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/Sc2ccccc2)cc1	195707091	WEUKXSVOQUKLCB-BMRADRMJSA-N	400.503	5.576	30	20	HKED	
COc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(OC)c1OCc1ccccc1	237224392	PEHLAOMVNBVPGN-GOSISDBHSA-N	402.494	5.005	30	20	HKED	
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(O[C@H](C)C#N)cc3)s2)cc1	303204189	MPCXJUXGEWHEFU-XWAFYUISSA-N	424.913	5.127	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc1-c1ccccc1	303345623	ZOMLRBDIIFGINH-MRXNPFEDSA-N	405.523	5.473	30	20	HKED	
Cc1c([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)oc2ccccc12	409539251	VIWKPISKHNQIPD-MRXNPFEDSA-N	400.434	5.276	30	20	HKED	
Cc1nc2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc2n1Cc1ccsc1	409572395	YPIGAXHPOMZGSK-UHFFFAOYSA-N	414.534	5.508	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)[C@H](C#N)CCc1ccccc1	433218458	IMJKQJQBDQZSKP-FQEVSTJZSA-N	404.535	5.058	30	20	HKED	
C=C[C@@H](CC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21)c1ccccc1	438636269	KGNYEQCCEQDZJI-HNAYVOBHSA-N	400.316	5.091	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N(C)C[C@@H](C)C#N	438709479	QDHYSIPQPKWJPW-HNNXBMFYSA-N	407.493	5.355	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H](CCC#N)c3ccccc3)s2)cc1	438842297	RILYVJSWSAMUHY-NQIIRXRSSA-N	418.566	5.832	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1F	438879816	GVICOXUWXHOGAU-UHFFFAOYSA-N	421.394	5.686	30	20	HKED	
COc1ccc(COCc2cccc(NCc3ccc(C#N)cc3OC(F)F)c2)cc1	439557918	WMVSEROFQPFFOI-UHFFFAOYSA-N	424.447	5.497	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(-c4ccccc4)ns3)o2)cc1	443881105	IQGMPUIDFNWRBX-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H](C)[C@@H]1c1cccc(F)c1	460385695	GTFJMSXRDCCUQB-NTKDMRAZSA-N	420.532	5.298	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F	460469394	JNOUZEPVXCLYOX-HZPDHXFCSA-N	419.340	5.539	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464405368	KOIJLOYJKFIGBD-HNNXBMFYSA-N	423.416	5.247	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	464841433	WZRKWDRQVCTWAT-QRFRQXIXSA-N	411.571	5.394	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1ccc(C#N)cc1	466593416	PPPRDNGZJPAJHV-ORAYPTAESA-N	416.294	5.068	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nn(-c3ccccc3)cc2C)cc1	471774078	UOIKPBSXTXVZTF-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
C=C[C@@](C)(CCOC)C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	473598633	KTXHLQJXTZWQRE-FQEVSTJZSA-N	408.420	5.084	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	477668037	UUODRQMAMLVNAS-LBPRGKRZSA-N	417.412	5.107	30	20	HKED	
C=CCN(C(=O)CCOCC(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	477820821	FESASDHHGVNTKH-UHFFFAOYSA-N	421.296	5.308	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4cncnc4)cc3F)cc2)c1	478119365	RTXRVCZBLGSYIV-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cs2)cc1	483232236	SCLUUIGCYWYPCS-KRWDZBQOSA-N	414.490	5.031	30	20	HKED	
Cn1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2cc(F)ccc21	486556571	LYCZZVKHZMRSMR-UHFFFAOYSA-N	416.481	5.129	30	20	HKED	
N#CCCN(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2	486563115	GJIFCLHBGSHBCO-LJJDHRDESA-N	414.496	5.103	30	20	HKED	
CC(C)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1cc(C(F)(F)F)on1	492021376	FUKAURALUVXPEB-UHFFFAOYSA-N	415.415	5.169	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)CCCC(F)(F)F	494754617	ZPTCDINBSXVAJW-INIZCTEOSA-N	419.447	5.688	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCCCC3)s2)c(C(F)(F)F)c1	496303834	GHTIMDBUPMMJBE-UHFFFAOYSA-N	408.449	5.032	30	20	HKED	
C=CCc1ccc(OCC(=O)N(Cc2ccco2)c2ccc(F)cc2C)c(OC)c1	501148271	GKKWRMIZCVQMDI-UHFFFAOYSA-N	409.457	5.076	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2-c2c(F)cccc2F)cnc1C(F)(F)F	501671725	MZBXBPCEVUWLJZ-UHFFFAOYSA-N	403.310	5.170	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nc(C)cs3)c2)cc1	502466887	ISTOMNGAPLIZJY-UHFFFAOYSA-N	407.499	5.070	30	20	HKED	
Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1cc(C#N)ccc1OC(C)C	502635782	PELKQPQJOXBVQF-UHFFFAOYSA-N	414.509	5.283	30	20	HKED	
CCSc1ccc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1	504720608	KETZDWRAGGQFIS-MRXNPFEDSA-N	406.507	5.333	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	504942572	HOFCXEPIUWGDPD-UHFFFAOYSA-N	409.383	5.081	30	20	HKED	
CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	508240142	GBMKRNNMZYSFTC-UHFFFAOYSA-N	407.495	5.475	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(F)(F)F)CC1	508864765	QJYHOOWFFNLFHD-CYBMUJFWSA-N	414.859	5.036	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2	509224473	MWXFLVJHXUKMFD-PFONDFGASA-N	419.887	5.500	30	20	HKED	
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	509841294	YHECNXOCRJILKZ-UPVQGACJSA-N	419.544	5.099	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccc(Br)s3)no2)c(F)c1	512242858	JOKILLLSELWLET-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)ccc1OCc1ccncc1	512642132	MOBBXTULVVMQPI-IAGOWNOFSA-N	405.473	5.092	30	20	HKED	
Cc1cc(Sc2nnc(-c3ccc(F)cc3)o2)n2c(nc3ccccc32)c1C#N	514537584	NDFNYSMTYZQQNZ-UHFFFAOYSA-N	401.426	5.008	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccc(F)cc1	514992338	MEZMBHFPRROGNI-CYBMUJFWSA-N	412.795	5.707	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1sc(-c2ccccc2)cc1C#N	515451345	FGEWSFIWGRJGQR-UHFFFAOYSA-N	412.518	5.271	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2c[nH]c3ccccc23)cc1	515506333	XZNJWEYDYYWDEG-UHFFFAOYSA-N	423.516	5.774	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCc4c(Cl)cccc43)s2)cc1	516660470	VUVMDCZWFIIHDW-IBGZPJMESA-N	408.914	5.068	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	517437218	NREIMIYUVVYSAV-UHFFFAOYSA-N	421.909	5.438	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)n1	517508680	SARAGXSUYUAFBL-UHFFFAOYSA-N	422.488	5.334	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCC2CC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	517793611	VVHNLMQHMCHWDO-LJQANCHMSA-N	408.910	5.742	30	20	HKED	
C=CCN(C(=O)CCc1nc(C)c(-c2ccccc2)o1)c1nc2c(s1)CCCC2	518039012	ODERIIKPFOZDLU-UHFFFAOYSA-N	407.539	5.137	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccnc(OCc2ccccc2)c1	518143562	MHKZCTLSIFKJPG-QGZVFWFLSA-N	403.507	5.165	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCc3ccccc32)cc1	518765916	UTXJSUUVKCDCJO-QFIPXVFZSA-N	412.558	5.700	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	521077032	UDQWEAAZNCZERR-AWEZNQCLSA-N	424.513	6.078	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1	521507305	BRUAGUGGUNTAAY-QGZVFWFLSA-N	414.292	5.514	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)c(C)c1	521795713	NZPDGQIOUWQCEV-SFHVURJKSA-N	415.543	6.041	30	20	HKED	
N#C[C@H](NC(=O)c1csc(Cc2ccccc2)n1)c1ccc(Cl)c(Cl)c1	521886130	LVMMYSWNALNLKU-INIZCTEOSA-N	402.306	5.035	30	20	HKED	
CS[C@@H]1CCC[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	522704675	KYSHLZZTJFTXAQ-RBBKRZOGSA-N	409.555	5.127	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](c2ccccc2)C1	524438709	SFBBRCADCUDFDR-HSZRJFAPSA-N	411.505	5.467	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1F	525116516	YSXYLUZTLFIJCB-ZDUSSCGKSA-N	413.518	5.121	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1	525532041	WQXNSDGUJRKGIQ-OALUTQOASA-N	414.505	5.221	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1	532578542	OCBFDLBPSZQPNJ-WMZOPIPTSA-N	413.974	5.020	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)C1CC1	534257650	XYVGDYYHCWZBFV-VIFPVBQESA-N	410.223	5.090	30	20	HKED	
N#C[C@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1cccc(C(F)(F)F)c1	537341128	PJAUXGJFVRQMCZ-HNNXBMFYSA-N	405.763	5.008	30	20	HKED	
CSc1ccccc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	537428655	GHWMZZPBAKZKAD-UHFFFAOYSA-N	402.519	5.235	30	20	HKED	
C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCO1	537667576	YBVLPTLEOIKKQI-SUMWQHHRSA-N	419.403	5.058	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(CC(F)(F)F)CC2)c1	556485111	HTGBMGPALPRRLZ-UHFFFAOYSA-N	422.834	5.809	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC(COc3ccccc3)C2)cc1	564038036	VDLYHBAGJZNYID-UHFFFAOYSA-N	414.530	5.002	30	20	HKED	
Cc1ccc(Sc2ccc(C(=O)Nc3ccccc3CC#N)cc2[N+](=O)[O-])cc1	568441377	PIUCMUKMNQOLGA-UHFFFAOYSA-N	403.463	5.373	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	569174180	KDVLBFKXPCAKCI-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(COC2CCCCC2)c1	570052424	RXZUTQNCFXVYOP-UHFFFAOYSA-N	412.530	5.231	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cc2)ccn1	573734113	SUGNZFZVUMLCEU-OAQYLSRUSA-N	416.456	5.124	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cnc1C(F)(F)F	579501555	GJOKLDQYWDFDAV-UHFFFAOYSA-N	419.765	5.684	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)CC1	603660078	GHNSRXIHTWGBGZ-UHFFFAOYSA-N	414.484	5.109	30	20	HKED	
C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)c1ccccc1C(F)(F)F	607868992	PCJWVEAZZRWZAT-GFCCVEGCSA-N	407.329	5.539	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1	608553186	XYDAHLWWYUGOOO-QGZVFWFLSA-N	423.513	5.044	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)oc1C	609060129	SUHQQDWVFDUTCA-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
COc1cccc([C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609061324	ZYQADKZNZNQCLZ-SFHVURJKSA-N	400.478	5.197	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(Cl)cc1	609078795	ONMRSCCXZFTFBP-UHFFFAOYSA-N	405.885	5.421	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)o1	609124013	TTWZNZBZCHDLJT-UHFFFAOYSA-N	419.456	5.374	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(C(F)(F)F)c1	609387174	RGSRHPGOECWIMQ-CQSZACIVSA-N	424.513	5.972	30	20	HKED	
Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(-c2nc3ccccc3[nH]2)c1	609502222	RMJNNXUIDWGWRY-UHFFFAOYSA-N	405.461	5.269	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1Cl	609643375	BMHDOCITGMGPMB-NRFANRHFSA-N	417.871	5.797	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CSCc2ccccc2)c1	609714014	XOFYKSOIZNHQAB-UHFFFAOYSA-N	401.535	5.656	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)NC(C)(C)C	610129854	CCNPAZXKPGWUKY-NRFANRHFSA-N	420.557	5.207	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1Cl	610141827	OIEXOBJPJMDYMF-JTHBVZDNSA-N	419.912	5.241	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2)c1	610167257	XPXJKBQIZGPIAG-XMMPIXPASA-N	423.476	5.110	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)c2)c1	610171599	OHJAAEONCYUVLJ-LEWJYISDSA-N	404.416	5.158	30	20	HKED	
C[C@@H](NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)c1cccc(C#N)c1	610364295	PLGNDPCVGQXXAE-CQSZACIVSA-N	402.498	5.051	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)s1	613346911	RSHZOGYZWWJYFY-CQSZACIVSA-N	407.347	6.285	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2o1	614439804	LHGKCCAIFDULBZ-IBGZPJMESA-N	404.429	5.171	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccccc2COCc2ccccc2)cc1Cl	619786636	YUNSHOCLBZVDTP-UHFFFAOYSA-N	405.885	5.250	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(C#N)c(Cl)c1	619787647	TZPGHOWOLJJLBY-UHFFFAOYSA-N	416.868	5.506	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	642282113	MEXQHMSKNFAFNY-CYBMUJFWSA-N	412.396	5.195	30	20	HKED	
O=C(Nc1cccc(Cl)c1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642428887	XKMLATWMAAFTQX-BRPSZJMVSA-N	406.729	5.510	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nc2sccc2c1=O	645079661	LQUDMLHOWGHLLO-FQEVSTJZSA-N	418.543	5.360	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1nc2cc(F)ccc2s1	671764195	MZYHPFONONLANT-HXUWFJFHSA-N	423.472	6.141	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1ccc(C(F)(F)F)cc1	676760626	KGKNLTZHCVZQJH-SJLPKXTDSA-N	406.452	5.025	30	20	HKED	
CSc1nc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2s1	726497432	VVUILJDBVWVSQZ-UHFFFAOYSA-N	421.503	5.314	30	20	HKED	
Cc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(C)n1-c1ccc(C#N)cc1	728267073	XRJQYZJBTLWOOP-UHFFFAOYSA-N	420.516	5.377	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1	730212021	CKYGIPQPTVNCIK-UHFFFAOYSA-N	415.468	5.020	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)cc1Cl	730736082	AEURTQQNNPYAMZ-UHFFFAOYSA-N	421.888	5.703	30	20	HKED	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	731114299	MYZKVMHQIPUJRT-SFHVURJKSA-N	410.587	5.448	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OC2CCCC2)c1	731287757	JOCWGIYGWJPERE-QGZVFWFLSA-N	417.292	5.276	30	20	HKED	
CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3cccc(F)c3C)o2)cc1	734304766	VYIAJNWCAXZKFQ-QBFSEMIESA-N	413.470	5.052	30	20	HKED	
Cc1nc(NN=C2CCC(O)(C(F)(F)F)CC2)c2cc(-c3ccccc3)sc2n1	734744406	BGDOLKJFBNUXAU-UHFFFAOYSA-N	420.460	5.302	30	20	HKED	
COc1cc(COC(=O)c2ccc(C(F)F)cc2)ccc1OCc1cccc(C#N)c1	735136879	HNGNYQIYPPNDKI-UHFFFAOYSA-N	423.415	5.440	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CSc2ccccc21	735770644	WCYYNJVNKGOHEH-MOPGFXCFSA-N	414.486	5.016	30	20	HKED	
N#Cc1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C(F)(F)F)c1	737406120	MFKLOTAOVJPSQE-UHFFFAOYSA-N	411.374	5.259	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1	738693990	XUFCTQVEOKASOP-GOSISDBHSA-N	402.494	5.037	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F	738897951	XREFDPAAUMEOLT-GMAHTHKFSA-N	405.448	5.893	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1C(F)(F)F	741924066	BMWKVKHNCOHSEL-SZGUKTLCSA-N	404.457	6.142	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1	744031729	BQXWNTYNYLTOJR-OCOPJHETSA-N	424.781	5.249	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Cl)c1	744034482	IUWCFDABWZWNRL-YVEFUNNKSA-N	401.318	6.097	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037924	JFQOTYZTBIDJBR-MMTVNHQJSA-N	424.488	5.865	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2s1	756227025	NPGXDFKCKPUGJX-JTQLQIEISA-N	409.319	5.504	30	20	HKED	
N#C[C@H](C(=O)CCCc1csc2ccccc12)c1nc2ccccc2n1C(F)F	756243376	RJLFAERKALEBPD-MRXNPFEDSA-N	409.461	5.845	30	20	HKED	
COc1cccc(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)c1OC	757614809	MOXVJHGMCWZQDY-NSHDSACASA-N	422.268	5.172	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	759036255	DMJCFOSJXPPKAW-IRXDYDNUSA-N	417.575	5.199	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(CCC)Cc2ccc(F)cc2)c1=S	764931348	DRSAXKTUNAOMQZ-UHFFFAOYSA-N	411.550	5.061	30	20	HKED	
C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@H]2c2cccc(C)n2)c1=S	765106972	UILYLLUBAOWOHP-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)c4c(F)cc(C#N)cc4F)cc3C2)cc1	771805535	LAQAAVVJMRKZQG-UHFFFAOYSA-N	417.459	5.732	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	775489650	WPEKVIFKIIMOIW-DKLXNKCPSA-N	413.521	6.249	30	20	HKED	
Cc1ccc(NC(=O)C2(CN[C@@H](C)c3ccc(OCC#N)cc3)CCCC2)cc1C	776163085	OLGMTNGYXZKVLV-FQEVSTJZSA-N	405.542	5.056	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1	776792083	UFFQXTGNVCVNPV-UHFFFAOYSA-N	414.527	5.573	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1	780161204	SQHJCQPIOPGDLC-AWEZNQCLSA-N	407.495	5.060	30	20	HKED	
N#CC1(COC(=O)c2oc3ccccc3c2CSc2cccs2)CCOCC1	780546709	SRXYDCZOCOUGNX-UHFFFAOYSA-N	413.520	5.264	30	20	HKED	
COC(=O)[C@@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	782898166	GCMCKRJCUTYAJE-UNMCSNQZSA-N	424.422	5.687	30	20	HKED	
COc1ccc(Oc2ccc(/C=C3\CN(C(C)=O)Cc4ccccc4C3=O)cc2)cc1	783713888	WMAFYJCCEMITCX-RCCKNPSSSA-N	413.473	5.116	30	20	HKED	
OC1(c2cccc(F)c2)CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1	783777946	NXUWNQJZRGDNLH-UHFFFAOYSA-N	401.791	5.123	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)N[C@H]2CCc3cc(C#N)ccc32)n1	786372895	XJACRJBCQAJUFG-FQEVSTJZSA-N	405.548	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nc(NCc2ccco2)ncc1Cl	789722430	VFTFPVFTMGLYJP-UHFFFAOYSA-N	410.905	5.439	30	20	HKED	
N#CC1(CNC(=O)/C(=C\c2cccc(OCc3ccccc3)c2)c2cccs2)CC1	797779372	CCWDEXPUXBALNE-JCMHNJIXSA-N	414.530	5.288	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799363904	TXRRURPCZYHURM-OAHLLOKOSA-N	419.462	5.289	30	20	HKED	
COc1ccc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)cc1OCc1ccccc1	806563399	WCPWXRPBNQEILH-OOIVEFLKSA-N	414.457	5.112	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nc2cc(Cl)ccc2s1	810536627	QZYGEWNXAWQESD-JSGCOSHPSA-N	416.333	5.306	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1F	915352514	JPIWWHGXFLAORS-OAQYLSRUSA-N	403.457	5.154	30	20	HKED	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353099	QPYQTXOHAUKMLQ-VWLOTQADSA-N	421.504	5.192	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1	917046421	JWZDMPBJYZICAK-ZDUSSCGKSA-N	405.704	5.131	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2cnco2)cc1	918487957	SQDNUGHLUJYTAC-HXUWFJFHSA-N	423.428	5.095	30	20	HKED	
O=C1/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CS(=O)(=O)c2ccccc21	920065267	VAMCITIGEKJFCG-SDNWHVSQSA-N	418.392	5.019	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccc3)nc2)CSc2ccc(Br)cc21	920069546	TTWGLAMVSOECOU-OVCLIPMQSA-N	409.308	5.278	30	20	HKED	
COc1ccc2c(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)coc2c1	920806749	PHADTVTXCTVKNV-OAHLLOKOSA-N	424.428	5.262	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2)CCC1	1789104207	CALFWGQHQJFVAI-HNNXBMFYSA-N	407.539	5.189	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1	1791954405	QWEPAEKYZIWAAT-UHFFFAOYSA-N	406.526	5.115	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1	1831371954	PUNDEWGBXULNSG-NKKJXINNSA-N	410.602	5.012	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)c(C)c1	10168879	VINHEDYSUKCGSX-UHFFFAOYSA-O	415.582	5.439	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1	16440389	MVSILXNRTLHBNY-XDHOZWIPSA-N	419.462	5.363	30	20	HKED	
C[C@@H]1CN(Cc2csc(/N=C(\O)c3sc4ccccc4c3Cl)n2)C[C@@H](C)O1	22300606	GGAVYTDCTZCJGA-VXGBXAGGSA-N	421.975	5.257	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1	59794962	VBBWEYXLJSULJS-UHFFFAOYSA-N	412.946	5.214	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	63391855	ZTEXBEYDSWDLKK-UHFFFAOYSA-N	410.477	5.031	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1	63394428	OLLFPKCXXKWYPG-UHFFFAOYSA-N	418.453	5.311	30	20	HKED	
Cc1ccc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1	65613585	MJOZRGSIDKKXQK-UHFFFAOYSA-N	400.547	5.440	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC(C)C)cc1	65870234	VTKFBKNJIJQXJY-UHFFFAOYSA-N	412.917	5.194	30	20	HKED	
Cc1ccc(OCCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	72041259	RWHIGFSKGMLYFC-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	304084168	WGDQMCLANXMEGN-CSMYWGQOSA-N	405.350	5.987	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430594433	VUQJHPVIHMDRMQ-LBPRGKRZSA-N	403.573	5.285	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cc(Br)ccc1F	433776565	WOOZXWVJXYNUBM-GFCCVEGCSA-N	407.308	5.164	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1F	435875128	QIAVWJGFHNYXHT-UHFFFAOYSA-N	413.699	5.500	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(CCN2CCCCC2)cc1	437872350	OMDMFHTVLXRXRV-JWQCQUIFSA-N	416.569	5.019	30	20	HKED	
N#Cc1ccc(-c2nnc(CN(Cc3ccccc3F)c3ccccc3F)o2)cc1	440315384	OVBKCGRZFJTVJZ-UHFFFAOYSA-N	402.404	5.093	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(-n2cccn2)cc1	440608278	DBHLGUZJIMHBDQ-IBGZPJMESA-N	422.488	5.222	30	20	HKED	
C=C[C@](C)(CC)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	442899814	LPUBZETUDVXHNG-NBGIEHNGSA-N	406.526	5.036	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(c3ccc(Cl)c(C#N)n3)C2)n1	447670897	OHWFHVPYCIDPLS-CQSZACIVSA-N	410.930	5.123	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1	463745336	KVQOHCMAGKFQIG-CQSZACIVSA-N	404.495	5.118	30	20	HKED	
Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1	464400449	DPRMLPGYYHVNSD-FQEVSTJZSA-N	418.566	5.172	30	20	HKED	
N#CCSCCCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1	466622767	HVPKYMVSCBFYCB-UHFFFAOYSA-N	414.987	5.250	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cccnc1	468635557	QQCZWQNJVPUAGP-INIZCTEOSA-N	418.526	5.046	30	20	HKED	
Cc1ccc(SCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1C	469950537	NKYDXHUQRPPKHE-UHFFFAOYSA-N	421.566	5.007	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C	471845341	KVCAZSFOVPTWFC-LJQANCHMSA-N	404.514	5.030	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	471868129	DIMUOTWDISMTJN-FQEVSTJZSA-N	415.541	5.363	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(OCC)c(OCC)c1	473779279	YIQOBZQFAGNDBM-UHFFFAOYSA-N	403.544	5.137	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)cc1F	473808360	PNMFYYHRBYTXPU-HXUWFJFHSA-N	423.469	5.157	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	474432865	INZPPAZDUPKGQW-HXUWFJFHSA-N	401.491	5.615	30	20	HKED	
O=C(NCc1cc(F)c(C(F)(F)F)cc1F)Nc1ccc2nc(C(F)F)[nH]c2c1	478999379	VDBBSHJFFYIPQD-UHFFFAOYSA-N	420.288	5.119	30	20	HKED	
Cc1c(NC(=O)c2ccccc2Oc2ccccc2C#N)cnn1-c1ccccc1F	479197847	WJZLXGNDSAITFR-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
Cc1c(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)sc2ccc(C#N)cc12	481481328	NXLOWPNRVKRIQU-MRXNPFEDSA-N	421.591	5.437	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCc4cc(F)ccc43)cc2F)c1	481568623	KPRRJKPAFDWYNU-JOCHJYFZSA-N	419.431	5.224	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccnc1-c1csc(C)c1	482499409	IIDMPFZRURRMJQ-UHFFFAOYSA-N	409.559	5.506	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1Cl	483205434	SZLJTYKWXJHDJY-FQEVSTJZSA-N	423.859	6.042	30	20	HKED	
Cc1ccc(-c2noc([C@@H](C)NC3CCC(C#N)(c4ccccc4)CC3)n2)cc1F	483656849	QSXQKIRTPNULEF-RAMCEHFNSA-N	404.489	5.239	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	484264659	OJYUQEFQLSIDMB-HNNXBMFYSA-N	424.472	6.404	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)c1c(F)cccc1F	484965963	BGUNLQOJHSBMMW-INIZCTEOSA-N	406.432	5.466	30	20	HKED	
N#Cc1cc(NCc2nnc(-c3ccccc3Cl)o2)ccc1Oc1ccccc1	488196961	FXORXODNOXTIIY-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccs3)n2Cc2ccco2)cc1	489419498	BGILPTMXIYFTER-SFHVURJKSA-N	406.536	5.183	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	498266128	JWRJMXTXTQNKMR-JOCHJYFZSA-N	409.917	5.052	30	20	HKED	
Cc1c(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)sc2ccc(C#N)cc12	498747135	OQMZAIZTADZMRM-IBGZPJMESA-N	404.539	5.200	30	20	HKED	
C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	500731363	KPOCYTCZVSQEPP-DEOSSOPVSA-N	416.550	5.191	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)c1	501998195	DSJHQUPDCOCJJF-UHFFFAOYSA-N	401.775	5.545	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccc(F)cc1F	503015295	NVDFRPBITHFBFW-CQSZACIVSA-N	412.465	5.106	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2c(F)cccc2Oc2ccccc2)cc1	503198634	KMGHGFIUVOKILJ-UHFFFAOYSA-N	420.444	5.570	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	504539527	ROKSQUOAKYSEKP-MRXNPFEDSA-N	423.416	5.110	30	20	HKED	
O=C(CCOCC(F)(F)C(F)F)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1	505164801	HWOHNPKAFKXKGT-CQSZACIVSA-N	415.349	5.066	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc(-c2ccncc2)cs1	505702119	VSVIBMWOCMLBJU-CYBMUJFWSA-N	424.457	5.097	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccn1	505731930	BKPXJGMHSREIJC-UHFFFAOYSA-N	405.552	5.250	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)CCc2ccco2)cc1	508237744	AEHSUIANNPVIBC-MRXNPFEDSA-N	405.454	5.095	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2cccs2)C1	508845973	DUUDJCPJZUDKCA-INIZCTEOSA-N	421.353	5.077	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3cccnc3)c2)cc1	509905770	RTRXYUQPRASLQX-DEOSSOPVSA-N	412.493	5.096	30	20	HKED	
Cc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F	511378985	BBYRCFWKEGPHFY-UHFFFAOYSA-N	403.457	5.101	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511541800	MRFLHLIHKCAMQM-IBGZPJMESA-N	407.411	5.311	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1	515214751	KFDPOTZUPDMSEP-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F	517890926	RLQMPONYCUNEQF-UHFFFAOYSA-N	417.431	5.584	30	20	HKED	
N#C[C@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1ccc(Cl)c(Cl)c1	518321121	HPKDOBFREIWHAC-INIZCTEOSA-N	420.296	5.174	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ncc(-c4ccccc4)o3)cc2)cc1	519065057	PLCPZFPUNAFBNQ-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@H](C)c1cccc2ccccc12	520832847	VEJBGRDLTRMJPB-QRVBRYPASA-N	417.578	5.769	30	20	HKED	
COc1cc(C)c([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	522075288	ZDDDMKRKSLPVJL-GDBMZVCRSA-N	413.543	5.147	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2)c1	522307313	MKTDCFMAISDMIB-UHFFFAOYSA-N	413.502	5.202	30	20	HKED	
CCNC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	522633929	FIRONNGFHIXDJR-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
COc1ccc(CS[C@H](C)c2nc(O)c3c(-c4ccco4)csc3n2)cc1C#N	532618351	GMNRUIJTWCEAKC-GFCCVEGCSA-N	423.519	5.532	30	20	HKED	
Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	535604439	UHCLDBBXUSGOSN-CYBMUJFWSA-N	409.873	5.142	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(-c3nnco3)cc2)cc1Cl	535612756	MOCOTGIZNKLMMW-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(F)cc2F)CCC1	535679366	HNSNHIGXCCKWMR-AWEZNQCLSA-N	401.482	5.560	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(-c3ncon3)cc2)cc1Cl	536379096	RLQPBBPJWBOGPD-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N(CC(F)(F)F)c1ccccc1	537299587	ITSFPHFSQIRYHY-UHFFFAOYSA-N	411.273	5.099	30	20	HKED	
C[C@@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(C#N)c(F)c1	537405266	ATLDKDHSAXHYAN-LJQANCHMSA-N	410.496	5.460	30	20	HKED	
C=CCOc1ccc(CN2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)cc1Cl	538568034	ABFBKUMXUSPNGB-SFTDATJTSA-N	424.972	5.172	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN[C@H](C)c2nc(-c3ccccc3)cs2)c1C	541660814	SLBAAQMIHFHRBC-LJQANCHMSA-N	418.566	5.024	30	20	HKED	
C[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	543861436	QPWAAZLTPNNOKP-LEWJYISDSA-N	422.532	5.211	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1	543890032	JAYVOUACUDRNRR-ROUUACIJSA-N	401.514	5.124	30	20	HKED	
CO[C@@H](CSCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	549570598	BAPVZSBRJHEORI-APWZRJJASA-N	400.569	5.140	30	20	HKED	
N#CCCN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(F)cc1	554724068	CZROVKMQKQKKLB-UHFFFAOYSA-N	419.843	5.704	30	20	HKED	
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	559861733	DGNVNMRNHRIMDG-IFXJQAMLSA-N	414.393	6.810	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CC(C)(C)C(F)(F)F	560158087	KDAMYHGLUXJNAW-UHFFFAOYSA-N	409.292	5.661	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)nn1C(C)(C)C	589543573	WUTFDOMABJSWBL-UHFFFAOYSA-N	403.486	5.073	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)n1	598661960	PPTDTWKTQNVAGN-KGLIPLIRSA-N	419.472	5.129	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)c(C#N)c1C	603444347	LEIXJEZODBQJJU-UHFFFAOYSA-N	422.890	5.364	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cccc(CC#N)c2)c1	603734222	XJDTYMNDNPOUKX-LJQANCHMSA-N	411.505	5.115	30	20	HKED	
N#CCCN(C(=O)CN1CCC[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1	603857046	OXMMKEVVBWBILY-HXUWFJFHSA-N	402.325	5.077	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cnn1-c1ccccc1F	603996431	PMAQXWHGNSZTBD-UHFFFAOYSA-N	408.502	5.164	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1	604387514	ITKRYLZZVJDRNB-UHFFFAOYSA-N	413.308	5.102	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccccc1	604937682	NJSHJIICBNOZTR-UHFFFAOYSA-N	408.548	5.312	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccnc1Oc1cccc(F)c1	608919023	YSYVSBAIVFGAHA-UHFFFAOYSA-N	418.472	5.005	30	20	HKED	
C=C(C)COc1cccc(NC(=O)CSCc2cc(-c3cccs3)on2)c1	608947456	ZJGLZPXJOAWODP-UHFFFAOYSA-N	400.525	5.230	30	20	HKED	
Cc1ccc(C)c(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609061452	CKGPOAIGAHNMRH-UHFFFAOYSA-N	400.478	5.080	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccccc1Br	609427471	BCJGPYAMGIQQAK-AWEZNQCLSA-N	403.345	5.415	30	20	HKED	
CCc1cccc2c(CC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c[nH]c12	609453135	IKYURUPSAJSSEO-UHFFFAOYSA-N	422.488	5.035	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)n1	609646615	LXOOTHLGBCLJTI-UHFFFAOYSA-N	420.472	5.563	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc12	613290882	OJPJWPAMSUTVQY-HXUWFJFHSA-N	422.513	5.493	30	20	HKED	
Cc1ccc(-n2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c(-c3ccccc3)n2)cc1	614439601	ATGIQKCUBCPOJY-HXUWFJFHSA-N	418.456	5.479	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1cccnc1	677560417	MSMFZGHRCAHEBL-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	679562438	OEFMZCSHPYIQCW-ONGXEEELSA-N	404.301	5.535	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(Cl)c1F	680621027	HFVUFXMMERLJQI-RNFRBKRXSA-N	409.704	5.258	30	20	HKED	
COc1ccc(C[C@@H](C)CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	681112650	WLEMVNLJIYZIJL-RZFFKMDDSA-N	415.393	5.512	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726473553	LHOVEMWSTBSKPM-AWEZNQCLSA-N	412.946	5.035	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl	728766756	JCSLKUVRTSFWSD-SFHVURJKSA-N	404.853	5.402	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2)c(C(F)(F)F)c1	729657619	NMNQCTBOSUYUEO-UHFFFAOYSA-N	405.376	5.176	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1	730072795	YUFOOWPNZWSMIL-KXBFYZLASA-N	400.475	5.440	30	20	HKED	
C=CCc1ccc(OCC(=O)O[C@H](c2ccc(Cl)cc2)c2cccnc2)c(OC)c1	730430180	RCSWNSOICHFDPU-XMMPIXPASA-N	423.896	5.184	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)Cc3ccccc3OC)n2)cc1	730692288	XDOSGZWRAPBHJO-JXFKEZNVSA-N	420.534	5.272	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)o1	730838017	LYERAQOLINUPOL-UHFFFAOYSA-N	421.884	5.236	30	20	HKED	
C[C@H]1CCCC[C@H]1NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N	730955208	UVICBJDWVQHQFR-GXTWGEPZSA-N	401.523	5.576	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12	730989092	HFBCOQAHWWCSEV-QGZVFWFLSA-N	424.529	5.801	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731962726	VKENKLNVMKGXGO-DEOSSOPVSA-N	404.535	5.222	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2occc2CSc2ccccc2)c1	733770143	DAEZSDKGWFXKER-LJQANCHMSA-N	406.507	5.183	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CSc2cccc3cccc(Cl)c23)c1	733775206	WERPIRLKWVTFSC-GOSISDBHSA-N	424.953	5.583	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl)c1ccncc1	734668565	DSPIHYMIXHLPDN-XZOQPEGZSA-N	423.919	5.889	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccccc1)C1CCOCC1	734682028	HCLDIYCNYWMQED-HXUWFJFHSA-N	404.963	5.267	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCC4)c2)s1	739749133	GBEMHYUZWVFBDU-UHFFFAOYSA-N	414.530	5.055	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(CC)[C@@H](CC)c2ccncc2)c1=S	739888719	VFIQCDMMODWDDL-FQEVSTJZSA-N	411.550	5.232	30	20	HKED	
COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1Cl	741455536	KXGZUGIAKOJMIV-UHFFFAOYSA-N	413.717	5.085	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)NCc3ccc(OCC#N)cc3)c2)c1	741685518	VTAGPTCJYLBGNY-UHFFFAOYSA-N	416.546	5.428	30	20	HKED	
Sc1nnc([C@@H]2CCCCO2)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	743451406	FQSDOGBAADYFGT-INIZCTEOSA-N	423.325	5.257	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744075757	WBYCMADOAGZJFZ-DZGCQCFKSA-N	414.452	5.673	30	20	HKED	
Cc1ccccc1-n1c(C)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S	746055942	LNVWOQNVMWDNPG-UHFFFAOYSA-N	405.571	5.008	30	20	HKED	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	752214570	VGDRYEJSPDMNNX-YWZLYKJASA-N	407.495	5.046	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	752635252	CWZCXQLZAVZHBN-LDQXTDLNSA-N	415.459	5.832	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@H](C#N)c1nc2ccccc2s1	756502457	CYNXTOYSPHLFHM-HNNXBMFYSA-N	407.495	5.062	30	20	HKED	
C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CN1Cc1ccccc1	757772325	JCLCMLLARDKKRE-RFLWCCGPSA-N	424.548	5.127	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	759223739	XPSCOJDJGLNQHQ-WBMJQRKESA-N	418.440	5.379	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	760956872	YTWZILCFICACJV-VURMDHGXSA-N	415.320	5.086	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1	762628061	LYIXEFWMMKFZBO-LLVKDONJSA-N	419.230	5.837	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)s1	764118496	RQDJFUHFQOFARN-AWEZNQCLSA-N	416.568	5.093	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1cccc(C(F)(F)F)c1	766840611	KYELILXORFBKFJ-IBGZPJMESA-N	416.443	5.110	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl	768995272	JDINNRUFWGRYQR-KRWDZBQOSA-N	420.344	5.395	30	20	HKED	
COc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1O	772387537	NHFXCTSXONXVKK-WUXMJOGZSA-N	400.434	5.025	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3cncc4ccccc34)SC2=S)cc1Cl	772802818	WGMVAMQPLCDYDY-CNHKJKLMSA-N	407.907	5.166	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)cc1C#N	775689352	KANVBTFTOXKTCI-LIRRHRJNSA-N	410.474	5.033	30	20	HKED	
COc1ccc(-c2nc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3Cl)cs2)cc1	782191030	JMKWFSCQDJPCBK-RUDMXATFSA-N	400.843	5.276	30	20	HKED	
Cc1cnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1	783013950	QMKNWLHANLLGOV-CYBMUJFWSA-N	417.275	5.216	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(Br)c(F)cc2F)cc1Cl	786084093	BTAXRQVXBNNFEV-UHFFFAOYSA-N	402.651	5.061	30	20	HKED	
Cc1ccnc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c(C)c12	786305363	DLDHTKBFRMPZRM-LBPRGKRZSA-N	418.305	5.181	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2cncc(Cl)n2)CC1	789460325	SKFKJYGGWQUMFA-UHFFFAOYSA-N	414.937	5.057	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3ccc(C(C)(C)C#N)cc3)cccc21	793630602	DFPNYCKXPGULBU-UHFFFAOYSA-N	405.498	5.038	30	20	HKED	
Cc1ccc(-c2ncc(/C=C\C(=O)c3nc(Br)ccc3F)s2)cc1	794971749	PVYPXNLGDVQZFH-VURMDHGXSA-N	403.276	5.311	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C	798053728	QDNNEGPGHVQNCJ-UHFFFAOYSA-N	419.412	5.229	30	20	HKED	
N#C[C@@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	801688391	RGLFDPRDBQVAFU-CABCVRRESA-N	404.285	5.116	30	20	HKED	
CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccco1	806201494	YDRKGFRLDRCLHZ-TZYHBYERSA-N	416.525	5.186	30	20	HKED	
N#Cc1c(F)cccc1/C=C(\Cl)c1nc(O)c2c(-c3ccccc3)csc2n1	811685933	IAWHRIKQFMRNMQ-SXGWCWSVSA-N	407.857	5.812	30	20	HKED	
CCC1(C)C/C(=C/c2cn(C)nc2C(F)F)C(=O)/C(=C\c2cn(C)nc2C(F)F)C1	812243398	LFBJFTUAJDNZCZ-QXFGSWAMSA-N	424.442	5.275	30	20	HKED	
Cc1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c(OCC(F)(F)F)c1	857442043	JAWADPGVYBEBGC-OAHLLOKOSA-N	409.301	5.604	30	20	HKED	
C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	904475428	IYPBVUYLHIOEPC-GOSISDBHSA-N	419.488	5.352	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)cc1	915124438	IPTAWDJVBIEVFW-FQEVSTJZSA-N	409.461	5.752	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)nc2ccccc21	916845457	XPSACTVTVGORNC-LUJNMSEFSA-N	417.921	5.845	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C)o3)nc2C)cc1	916951688	ZWSBSYRATYZPDS-UGSOOPFHSA-N	421.522	5.495	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	917096946	LEHKIUAZRVNZQH-SWLSCSKDSA-N	418.349	5.472	30	20	HKED	
C=CCN(Cn1nc(-c2ccccc2OC)n(-c2ccc(C)cc2)c1=S)C(C)C	917481575	PORMNBLTUPYVNC-UHFFFAOYSA-N	408.571	5.241	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3c(O)cccc3C2=O)cs1	917560025	QBONFLPMUJBXQB-LCYFTJDESA-N	410.882	5.009	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccccc2Oc2cccc(Br)c2)c1	917679505	MZECVCBAXONGQL-UHFFFAOYSA-N	423.266	5.396	30	20	HKED	
CN1CCC(N(C)c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1	917793905	DYZOSKDURFMHRS-UHFFFAOYSA-N	424.548	5.008	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1	1791946405	MLYAWYLZBOXMLM-UHFFFAOYSA-N	408.542	5.257	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1	1831374686	RWJJQHALCNQUHC-OFNKIYASSA-N	416.650	5.425	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)CC1	1832893386	AGMSZTIAKJPJLK-SDUSCBPUSA-N	422.613	5.178	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)no2)nc2sc(C)c(C)c2c1=O	29871388	WLPQOWAHAKGCAK-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1	41533805	HSDLUARIAZIHEG-KRWDZBQOSA-N	417.515	5.432	30	20	HKED	
Cc1sc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c(C#N)c1C	58033019	GMWXHAAWTSXVHF-UHFFFAOYSA-N	423.563	5.512	30	20	HKED	
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	62883009	MTODXSPHTQFGAD-SFHVURJKSA-N	414.461	5.268	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1	108458351	SZFQGMKZHOQEAF-IBGZPJMESA-N	405.350	5.462	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)oc1C	115735606	WWLJCXCRWMZJSW-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccccc1F	220146000	MSVHAXLOIZHNEV-GFCCVEGCSA-N	413.503	5.235	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	237601832	FIDZOKDALHTEAL-CQSZACIVSA-N	417.456	5.410	30	20	HKED	
C=CCN(C(=O)c1cnn(Cc2ccccc2)c1C)c1nc(-c2ccccc2)cs1	302924555	BTKZHUTUTXDYOO-UHFFFAOYSA-N	414.534	5.196	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3cccc(OC(F)F)c3)c2)cc1	409814449	XHEILHYXBLVKKT-UHFFFAOYSA-N	422.431	5.114	30	20	HKED	
N#C[C@H](NC(=O)CCCCC(=O)c1ccc(F)cc1)c1c(Cl)cccc1Cl	426993091	AZCKOJYTWBJUNW-KRWDZBQOSA-N	407.272	5.257	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2ccncc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	428952861	MWYNIFVRVWZPAO-IBGZPJMESA-N	410.521	5.270	30	20	HKED	
N#CCCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1	431642099	ZJFRTTBNWLIDBH-INIZCTEOSA-N	416.852	5.072	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1)c1ccccc1	431924686	IEMGLCAPURCFLM-QHCPKHFHSA-N	418.472	5.247	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1	433718791	LWLHWKSRQHOXHL-ZDUSSCGKSA-N	408.807	5.418	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438635919	IVCJYHVQNLENPF-UHFFFAOYSA-N	424.426	5.693	30	20	HKED	
N#Cc1cccc(C(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1	439054459	FIGARJZATGWSHS-UHFFFAOYSA-N	416.550	5.221	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccccc1	440252338	GAYCBQMFFGDFAO-WIYYLYMNSA-N	407.564	5.512	30	20	HKED	
Cc1sc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1-c1ccc(F)cc1	447248045	RSBXCFOIPDFQDG-MRXNPFEDSA-N	404.388	5.767	30	20	HKED	
COc1ccc(-c2cc(NC(=O)[C@H](C)c3cccc(C#N)c3)ccc2OC(F)F)cc1	461808160	MEOJYIVSDOBVIO-OAHLLOKOSA-N	422.431	5.577	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	463740964	HITFMYALWUMVAD-INIZCTEOSA-N	402.425	5.337	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1Oc1ccc(C(F)(F)F)cc1	464298730	SQMQLIBTLRLMDX-UHFFFAOYSA-N	417.299	5.123	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl	464826579	ZKQOIFJWRSZOHT-YJBOKZPZSA-N	422.743	5.357	30	20	HKED	
C=CCN(C(=O)c1ccncc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	467104303	SVAOHVYOBYRMNY-UHFFFAOYSA-N	424.740	5.998	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(F)cc(Br)c1F	468206264	UVBWKGUYVXIDIK-UHFFFAOYSA-N	413.221	5.518	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1	468259156	BMHXRLCEIQCPAS-HXUWFJFHSA-N	414.461	5.130	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1	472075174	UDAUZGONBXEAIR-QGZVFWFLSA-N	408.477	5.033	30	20	HKED	
C=C[C@H](CC(=O)N(CCc1ccccn1)Cc1ccc(OC)cc1)c1ccccc1	478145807	HEQMWQCFFZBXJY-JOCHJYFZSA-N	400.522	5.021	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)n1	479201236	CICBYUCUQQCNDD-UHFFFAOYSA-N	418.522	5.102	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnn1C1CCCC1	481796155	NSAHEHVCHZFTIH-UHFFFAOYSA-N	408.449	5.275	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(Cc3ccco3)CC(F)(F)F)c2)cc1	481917966	ITJFSUWNJMYZNV-UHFFFAOYSA-N	400.356	5.148	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	482000359	KDWNJLYGYRZJPY-KSSFIOAISA-N	404.457	5.512	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482410985	SBITYXVOWWCAPK-SFHVURJKSA-N	411.374	5.062	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482428044	RRUYEBHLKLBYKI-LJHODMEESA-N	423.385	5.050	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482444850	HEJJZRZMONTMKW-FVMDXXJSSA-N	408.317	5.249	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CCC(=O)Nc2sccc2C#N)C1	483665750	WRUQDRBNNMVTLA-CXAGYDPISA-N	407.461	5.050	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	488008609	RRQFOUGFNUPBKO-CVEARBPZSA-N	420.900	5.077	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(C)cc(C)c3)o2)cc1	489810052	QEAYXNRPECVRAT-INIZCTEOSA-N	409.511	5.038	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494548959	OTLAIUCAIBPDDG-MRXNPFEDSA-N	419.447	5.574	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)c(C#N)c3)cc(-c3cccs3)nc21	494664259	IWFYTRVWBBJVTB-UHFFFAOYSA-N	421.913	5.518	30	20	HKED	
CC(C)n1nccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	495635132	DAMXGCFWRSVKKN-OAHLLOKOSA-N	423.904	5.220	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n1	496189098	OXEZXJUECBBUIC-ZDUSSCGKSA-N	404.278	5.436	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	497355023	PYEMLVTUCRMNKH-UHFFFAOYSA-N	401.466	5.288	30	20	HKED	
C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(OCC2CC2)c(F)c1	502172582	YUEFABVRINVAQC-QGZVFWFLSA-N	419.500	5.046	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc(C)c1OCc1cccnc1	503520459	FVWQROYLQDLUIL-IBGZPJMESA-N	413.502	5.377	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F	504795209	TXLCPRRMDYIAAZ-LJQANCHMSA-N	423.875	5.465	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OC[C@H]3CCCO3)n2)cc1	509535851	GSMSRLIUZLMVTQ-UYAOXDASSA-N	418.518	5.166	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2c1C	513261894	LMEVVIJWEHTDLO-HNNXBMFYSA-N	407.445	5.677	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1	513505209	HPIHCLVDHOVQHC-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(NC(=O)c2cc(C#N)ccc2Cl)c1)c1ccccc1	513590599	WUZZEBOURVWWDA-UHFFFAOYSA-N	424.287	5.394	30	20	HKED	
N#CC1(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)CCCCC1	517510401	CZKZJXBAZZPZEK-UHFFFAOYSA-N	416.525	5.622	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)cc2)c1	517511862	VNWKOGRSZVVUEQ-DEOSSOPVSA-N	414.461	5.161	30	20	HKED	
CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc2ccccc2s1	518038437	DMTWRBXDLMACLC-UHFFFAOYSA-N	417.465	5.766	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](Nc2ccccc2)C1	519179497	PJXNKJHJBTXJEF-NRFANRHFSA-N	412.493	5.377	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2Cl)cc1	519914201	LYLMNXAFLOXVBJ-UHFFFAOYSA-N	418.324	5.129	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1	522585885	ZVFAWDYRMJFTFP-UHFFFAOYSA-N	412.449	5.126	30	20	HKED	
C[C@@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	522840486	MYYNYAXCRHBZRO-VXGBXAGGSA-N	412.864	6.052	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523946384	BIZKOIPIWFBHPY-UHFFFAOYSA-N	401.853	5.148	30	20	HKED	
C=CCn1c(S[C@@H](CC)c2ccc(F)cc2F)nnc1-c1ccccc1OC	524106099	WWTZDUCVPWDGJC-IBGZPJMESA-N	401.482	5.661	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccccc1C(F)(F)F	524743494	LGKRGOQZGLWWMT-MRXNPFEDSA-N	403.448	5.506	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1ccc(C(F)(F)F)cn1	530858217	FHPRIQZXNOKYLM-CQSZACIVSA-N	417.774	5.431	30	20	HKED	
Cc1nc(O)c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1-c1ccccc1	530934594	QSEYWWDIEDSQNA-GOSISDBHSA-N	412.276	5.064	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1cccc(Cl)c1	532201313	LPEOQXFCXIXIRP-HUUCEWRRSA-N	404.988	6.025	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)c1cccc(OC(F)(F)F)c1	533272049	ZMVUFZYQAKOURE-CQSZACIVSA-N	423.460	5.054	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc(CC#N)cc1	535459379	KEHRXQAAPXWMEY-UHFFFAOYSA-N	420.534	5.064	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cnc([C@H]4CCCO4)s3)c2C#N)C1	535476961	YVHMJNFLSAPAOM-IUODEOHRSA-N	415.584	5.331	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1Cl	536204920	QEJLYNCIOVTEHQ-CQSZACIVSA-N	403.290	5.616	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(C#N)o1	537324672	FGWSBPAAZJLCQA-NSHDSACASA-N	402.317	5.197	30	20	HKED	
Cc1cc(Br)cc(Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	537551314	PICINVTVEVBDAB-NSHDSACASA-N	423.763	5.915	30	20	HKED	
C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccc(Cl)cc2n1C	538112793	KKYOYEVGHHMCHQ-INIZCTEOSA-N	400.913	5.616	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1c1ccc(Br)s1	542276804	BKHOUWDLEPUEIP-JTQLQIEISA-N	402.239	5.138	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	552721744	MOBNWESIYRWQRM-UHFFFAOYSA-N	419.893	5.776	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1	564556668	GWOYCMHFCHUQQA-UHFFFAOYSA-N	422.485	5.058	30	20	HKED	
CN(Cc1cccc(C#N)c1)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cccs1	583644170	SADOJLSOJCBDLN-UHFFFAOYSA-N	424.533	5.044	30	20	HKED	
O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1cc(C(F)(F)F)ccc1F	590325764	YRLZUFFCPKRQRG-UHFFFAOYSA-N	424.316	5.245	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Oc3ccccc3)nc2)sc2c1-c1ccccc1CC2	603991826	CDBCJXKTCJFCSK-UHFFFAOYSA-N	423.497	5.825	30	20	HKED	
Cc1cc2occ(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2cc1C	604004269	ZETVDWDQZUGUNH-UHFFFAOYSA-N	424.500	5.876	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1nc(-c2ccncc2)cs1	604005448	NVSKAKDBBFGPCK-HXUWFJFHSA-N	415.449	5.627	30	20	HKED	
Cc1ccc([C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccc(F)cc2Cl)cc1	609401350	HQURULSSYCKRBA-QHCPKHFHSA-N	421.903	5.590	30	20	HKED	
COc1ccc(N(Cc2cccs2)C(=O)CCCCOc2cccc(C#N)c2)cc1	609497372	MAIWTAGWWNBXNZ-UHFFFAOYSA-N	420.534	5.411	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)oc1C	609501072	KLUQCQICZUNXSA-UHFFFAOYSA-N	423.472	6.069	30	20	HKED	
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1	609997306	JDWBBQWYMXVSRW-LVXARBLLSA-N	417.553	5.022	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](C[C@@H]4CCOC4)C3)c2)cc1	611357680	CNWSHNNRHTVUCH-PMACEKPBSA-N	405.498	5.021	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(C2CC2)cs1	612024704	JHJOQRASKYWBJW-ZDUSSCGKSA-N	403.598	5.287	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2ccccn2)CC1)c1ccc(C(F)(F)F)cc1	677159721	ATECJEFYWCMOMG-NRFANRHFSA-N	417.475	5.697	30	20	HKED	
C=CCC[C@H](C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	681649473	SCNFGSPKIDSSHB-INMHGKMJSA-N	407.398	5.762	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1cccc([N+](=O)[O-])c1	725839666	OPXGJCWWPVVKHZ-UHFFFAOYSA-N	407.430	5.242	30	20	HKED	
C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)c1	726503679	PGJOBQDXVGEQOJ-UHFFFAOYSA-N	422.937	5.069	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726913728	OUPYEXIHFMHJSJ-NRFANRHFSA-N	413.502	5.548	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ncc(-c3cccc(Cl)c3)o2)cc1OC	727486980	STTJKRMHKQGELA-UHFFFAOYSA-N	421.280	5.606	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1	727954193	MGBJKXLVUQFMLS-JLTOFOAXSA-N	407.901	5.225	30	20	HKED	
O=C(O)C(=O)/C(=C\c1ccc(-c2cccs2)cc1F)c1ccc2ccccc2n1	728156569	JVRLRHCKPVPWNN-ATVHPVEESA-N	403.434	5.297	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(/Br)c2ncc(-c3ccc(F)cc3)o2)cc1	728699660	HNQWSKMRDKNOAU-SGPNVBEDSA-N	413.246	5.665	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1	728737512	IEUIBBHIZROCNM-IZZNHLLZSA-N	418.500	5.648	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F	730219058	VAOKZUOQPMYFCG-UHFFFAOYSA-N	409.848	5.476	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)ccc2c1	730416124	ASMRKCXEJZRIJF-FOZGUINQSA-N	402.450	5.487	30	20	HKED	
CCc1cc2oc(=O)cc(CNc3ccccc3SC[C@@H](C)C#N)c2cc1Cl	731664568	NHSWYOUMFJJBGL-AWEZNQCLSA-N	412.942	5.873	30	20	HKED	
N#C[C@@H](C(=O)CC[C@@H]1CCCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1	732495548	CHOQCHGNGGOSFY-ZFWWWQNUSA-N	409.338	5.642	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	732497849	SBEHZENFNSXUAM-KRWDZBQOSA-N	414.461	5.421	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)sc2c1	732707975	IKFVITTVMVOBML-QGZVFWFLSA-N	410.926	5.317	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3c(ccn3CC(C)C)c2)c1	733844198	HSCQILPEWFNHIG-NRFANRHFSA-N	404.514	5.300	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc2ccccc2s1	734207254	OTHKNOJKEASRAR-OAHLLOKOSA-N	414.490	5.843	30	20	HKED	
C=CC[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccncc1	734361006	QKUUWZMWJZRNCF-HSZRJFAPSA-N	413.496	5.735	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1	739154814	FIGYCJUECULHQC-RDTXWAMCSA-N	414.452	6.199	30	20	HKED	
C[C@@H](OC(=O)c1sccc1C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	742911990	WEEDBQGHMHYTBI-GFCCVEGCSA-N	414.552	5.012	30	20	HKED	
C[C@H](OC(=O)c1sccc1-c1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1	744608105	IZTSJEQQKFOPDL-INIZCTEOSA-N	422.481	5.046	30	20	HKED	
COc1cc(Br)ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	748617713	CFHPQKYGOWDLCW-FQEVSTJZSA-N	421.294	5.365	30	20	HKED	
C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1F)C(=O)Nc1ccccc1C(F)(F)F	750976608	JTXSYHXPJHZAOL-SECBINFHSA-N	423.284	5.047	30	20	HKED	
O=C1/C(=C/c2cccnc2Cl)CC2(CCOCC2)C/C1=C\c1cccnc1Cl	751518657	XXVONWLOYYHWOE-JYFOCSDGSA-N	415.320	5.410	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C	753897949	JDFMGUGZKGPGQT-UHFFFAOYSA-N	413.543	5.266	30	20	HKED	
N#C[C@H](C(=O)/C=C/SCc1ccco1)c1nc(-c2c(F)cccc2F)cs1	759829416	TZWGPQHUZSMQPK-STMXVASLSA-N	402.447	5.305	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccncc2)cc1F)c1cc(Br)ncc1F	762419624	BEQICWOKEWXJMH-ONEGZZNKSA-N	401.210	5.080	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2c(Cl)cc(F)cc2Cl)cs1	767911028	ZVDHIFDGADIILL-UHFFFAOYSA-N	423.300	5.720	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCSc3c(Cl)cccc32)ccc1OC	772981293	ZADLOCHLVDFKOJ-CRAIPNDOSA-N	402.947	5.356	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2csc(Cc3ccccc3F)n2)cc1	774570091	RRDNFIKYGMRALE-UHFFFAOYSA-N	424.497	5.135	30	20	HKED	
N#Cc1ccc(-c2cccc(CNc3ccc4nnc(-c5ccsc5)n4n3)c2)s1	775479106	DFSJJMIJWMDISD-UHFFFAOYSA-N	414.519	5.065	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCc4c(Cl)cccc43)n2)cc1	776084206	JSVBISAKITTWLA-ROUUACIJSA-N	403.894	5.241	30	20	HKED	
CN(C(=O)c1ccccc1OCC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	776402393	VNGAAQZUZDOLCJ-HKUYNNGSSA-N	402.416	5.016	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)NCc3ccc(C#N)cn3)cc2)c1	782048560	VGJKZZBTUJBAFT-UHFFFAOYSA-N	414.509	5.286	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nc2ccccc2s1	784489355	SNGJIGWITRAUHW-OAHLLOKOSA-N	416.424	5.394	30	20	HKED	
Cc1ccnc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c(C)c12	786305362	DLDHTKBFRMPZRM-GFCCVEGCSA-N	418.305	5.181	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	789717994	CRLFAMCXYHNTAJ-UHFFFAOYSA-N	413.443	5.995	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CCC)cc2)[n+]2cccc(C)c2)c1	797799101	GRWVBFAVFJZBDK-UHFFFAOYSA-O	413.566	5.540	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1csc(-c2cccs2)n1	800384026	MJCXHMNCYJSIMH-GFCCVEGCSA-N	409.561	5.635	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)CCCCC3=O)cc1	810533858	XRSZPHHQFSHREE-KSFYIVLOSA-N	402.494	5.070	30	20	HKED	
COCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	819574674	KQNFTAZPTILQKL-UHFFFAOYSA-N	404.491	5.086	30	20	HKED	
COc1ccc(OCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915087752	XGTUMIWVYPISQG-DEOSSOPVSA-N	400.478	5.148	30	20	HKED	
C=CCN(C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C(C)C	915147731	HPBMLSFIQNUVCC-XMHGGMMESA-N	406.551	5.659	30	20	HKED	
Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915683783	HKXIPFAYDCAFST-QHCPKHFHSA-N	423.520	5.212	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1	916882444	FCNPVRXAYMPJSJ-HXUWFJFHSA-N	408.816	5.233	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)c2)c(C)c1	916895633	OAJMUPFONMENOT-QFIPXVFZSA-N	420.578	5.367	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1	916949311	NVCUZJJQKYJUMS-AOMKIAJQSA-N	404.510	5.127	30	20	HKED	
N#C[C@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2ccccc2)cs1	917026763	OMKFHDPJNVDNAK-OAHLLOKOSA-N	420.519	5.121	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccccc1F)c1nc2cc(C(F)(F)F)ccc2s1	917044821	VIEUURAMGNOWSZ-LBPRGKRZSA-N	424.444	5.813	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(Nc2ccc(SC(F)F)cc2)s1	918017578	GGEINGDAPNPLOI-OAHLLOKOSA-N	420.535	5.823	30	20	HKED	
CCc1ccc(N(C(=O)COc2cccc(C#N)c2)c2nc3ccccc3s2)cc1	918542057	RJBKPYSLZCHYEX-UHFFFAOYSA-N	413.502	5.474	30	20	HKED	
Cc1ccc(-c2nc(C=Nn3c(S)nnc3-c3cccc(Cl)c3)cs2)cc1	918710693	ZLXBITUXCQQHPG-UHFFFAOYSA-N	411.943	5.201	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1	1830424264	YONMYQHJQNPAKU-NFBKMPQASA-N	416.650	5.425	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(C)c(C)c2)cc1	11160378	OFNMIDWJILCZJG-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2cccs2)c(OC)c1	18054435	KJJGVDFUTWMFEK-JOCHJYFZSA-N	406.507	5.088	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c1	22729786	UGJRJBVSWZXJNG-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
Cc1nc(SCC(=O)Nc2sccc2C#N)c2cc(-c3ccccc3)sc2n1	23560321	DRLIUJPLPBLYLH-UHFFFAOYSA-N	422.560	5.331	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)Cc3ccc(C#N)cc3)cc12	32615309	KOILSLMIGDJIHE-UHFFFAOYSA-N	420.925	5.193	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)cnc1Cl	50044864	WNCSKIKRLNKSSN-UHFFFAOYSA-N	406.132	5.041	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1Cl	79357221	TYZFLUJZMGZWHP-ISKFKSNPSA-N	416.908	5.638	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)c3ccccc3C2=O)c1	110425807	WFOZTOQNNQHPMZ-XIEYBQDHSA-N	422.484	5.405	30	20	HKED	
CSc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1[N+](=O)[O-]	195621550	ZACHVEYVTBEWRQ-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
CC(C)(C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	195691541	SVRDAPLCEPQQQE-INIZCTEOSA-N	400.309	5.273	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccccc1Br	303167900	GGONFTUEMHNVIL-UHFFFAOYSA-N	421.294	5.603	30	20	HKED	
Cc1ccc(-n2nc(C(=O)Nc3ccccc3SCCC#N)c3c2CCCC3)cc1	303329907	WGCVNBSIINNIME-UHFFFAOYSA-N	416.550	5.318	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	303884907	RHNNHSDBACZENJ-LAUBAEHRSA-N	400.453	5.508	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1	430605309	SBZOZBSADOHINE-QGZVFWFLSA-N	409.511	5.115	30	20	HKED	
Cc1n[nH]cc1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	438521916	DPNUHWWSSLZXFS-UHFFFAOYSA-N	401.348	5.045	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccccc1	439317466	UHOFQSXZVNSKFH-GOSISDBHSA-N	413.403	5.058	30	20	HKED	
N#Cc1cc(N[C@@H](C(N)=O)c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1	439647249	NCFLIKSPAPYKPO-HXUWFJFHSA-N	411.383	5.008	30	20	HKED	
CCCc1c(NC(=O)c2ccccc2SC(C)C)cnn1-c1cccc(C#N)c1	440071396	BKZULBOTZUOFKE-UHFFFAOYSA-N	404.539	5.449	30	20	HKED	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)c1cccc(C#N)c1	442668038	BGEBENHWKFDIPF-JKSUJKDBSA-N	403.448	5.377	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)c(Cl)c1	444517868	ZHHBFIAFGJBHBR-UHFFFAOYSA-N	410.857	5.423	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccccc2Cl)n1	461690004	MBHLKGFRKIBSKG-UHFFFAOYSA-N	410.930	5.338	30	20	HKED	
C=CCn1c(S[C@H](C)c2cnccn2)nc2scc(-c3ccc(C)cc3)c2c1=O	464570234	OVVCYCMYFBQGJF-OAHLLOKOSA-N	420.563	5.263	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)c1	465242374	NGIBMOAHCLXCJP-UHFFFAOYSA-N	417.431	5.128	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	466681854	HAOBJJZZRWQYRH-KRWDZBQOSA-N	412.917	5.283	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1	467332117	NXQPSGKITNOXJA-QFIPXVFZSA-N	417.465	5.459	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	468112079	YFJCCDIXWZEPCC-OAQYLSRUSA-N	417.896	5.515	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C	471284953	BCXKEQSDRWMRDL-HNAYVOBHSA-N	417.431	5.250	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Cl)c1	471853816	VIDXIURODQWERF-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
COc1ccc(CCNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Cl)c1	473818571	DBEHYASXJIHLHU-AWEZNQCLSA-N	403.935	5.107	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	475598413	DFLCZXXQINKFRW-UHFFFAOYSA-N	413.452	5.330	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnn(-c2ccc(Br)cc2)c1	476108033	HYMWMJMMWPPPME-UHFFFAOYSA-N	424.342	5.739	30	20	HKED	
COc1cc(C[S@](=O)CCCC2CCCC2)ccc1OCc1cccc(C#N)c1	478360559	IOKUQDKDCWQAHW-GDLZYMKVSA-N	411.567	5.365	30	20	HKED	
C=CCC1(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCC1	478550823	CYZVUUOFUDQCON-OAQYLSRUSA-N	418.537	5.180	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)c2)c1	480008397	LZZNOQQYFRRSLV-UHFFFAOYSA-N	419.843	5.663	30	20	HKED	
C=CCOCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	480330229	DETUDFTXZHHNOC-UHFFFAOYSA-N	411.767	5.299	30	20	HKED	
C=CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccccc2)cs1	482275851	ZCCRJYQWHLHAKV-SFHVURJKSA-N	416.468	6.065	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	482574094	PPHMBRFTLFOAHS-UHFFFAOYSA-N	413.477	5.587	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1	482776475	ASTLPWYQUVLHBG-UHFFFAOYSA-N	412.367	5.630	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cc2ccccc12)c1cnc2ccccc2n1	483192718	DTLKJPLMNKIZSN-QGZVFWFLSA-N	402.251	5.036	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1NC(=O)c1ccccc1	483198562	QWVIIAGOYDUIEF-JOCHJYFZSA-N	405.457	5.286	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(-c2c(Cl)cccc2OC)noc1C	483399734	BKFVDOVJOBPYJV-UHFFFAOYSA-N	421.884	5.012	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1c(F)cc(F)cc1Br	487230826	BLFTVQRXDRRZPH-RHSMWYFYSA-N	420.257	5.031	30	20	HKED	
C=CCC[C@H](C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	487570966	IXYQGYHHANJRNV-SFHVURJKSA-N	418.459	5.242	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1	487616253	JADWGIQOHZLEEJ-XMMPIXPASA-N	409.489	5.302	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1	491034935	IKBBDWCXXFFMHT-LJQANCHMSA-N	420.509	5.413	30	20	HKED	
N#CCCn1cc(CNCc2ccc(-c3ccccc3)cc2F)c(-c2ccccc2)n1	492331687	DOYGFGJZPTWBIA-UHFFFAOYSA-N	410.496	5.560	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)CC1	499254169	UKTUDFPTWFGBPV-HJGMFIOOSA-N	415.581	5.033	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1C(F)(F)F	499860965	OLNXEEHHJDSEEQ-LJQANCHMSA-N	414.362	5.022	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(COCc3ccco3)c2)c1	502260579	QSWZYDGAIDUCLT-UHFFFAOYSA-N	405.454	5.323	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OC(C)C)c(Cl)c2)cc1	502337191	UUGJZVDJOJYWDE-UHFFFAOYSA-N	402.882	5.079	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)CSCc3ccc(C#N)cc3)s2)cc1	502504918	AOAMAEDSNBEPHC-INIZCTEOSA-N	421.591	5.409	30	20	HKED	
CCOc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)c(C(F)(F)F)c1	502652342	KHAMQENRIUXRNI-UHFFFAOYSA-N	407.392	5.431	30	20	HKED	
COc1ccc([C@H]2C[C@H](NC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1F	505323924	AIKBMIJNJNMEFN-DJIMGWMZSA-N	413.518	5.296	30	20	HKED	
CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2ccc(OCc3cccnc3)cc2)no1	507995440	RRZKGMOXUZOWHW-UHFFFAOYSA-N	414.440	5.047	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(F)c(F)c1	510900028	BYSXXRRGPGSYRJ-UHFFFAOYSA-N	407.420	5.601	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CC=C(c4ccc(Cl)c(Cl)c4)CC3)o2)cc1	511213222	ZIJYGCWYQHWHST-UHFFFAOYSA-N	411.292	5.204	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)c(F)c3)n2)cc1	511761229	ZTZCGKNNFRPKEM-GOSISDBHSA-N	401.466	5.538	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)oc2c1ccc1ccccc12	512946308	AMSNSNQBEAMXPE-IBGZPJMESA-N	409.470	5.903	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1	515709370	WLNAGORKBDCFSP-UHFFFAOYSA-N	402.475	5.760	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2cccc(OCCCC#N)c2)c1	518308199	NGWANPUNWGTDHU-UHFFFAOYSA-N	412.489	5.469	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCSc2c(F)cccc21	518752877	BFRAAYRMMTWOTQ-XJKSGUPXSA-N	401.532	5.579	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(C)o4)n3)n2)cc1	518798705	PSHBNIKYBBZIOW-OAHLLOKOSA-N	405.504	5.634	30	20	HKED	
CN(C)CCCN(CCC#N)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	519140361	XVXGPGPGKALJOD-UHFFFAOYSA-N	418.777	5.169	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3F)C3CC3)c2)cc1	519199082	MRMCBYGMMUVIIH-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C(F)(F)F)cc1	519430257	FNCFLEVQLJWRHO-AWEZNQCLSA-N	424.513	5.972	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)CSc1ncnc2scc(-c3ccccc3)c12	520167711	REHASDCTUYXNRZ-UHFFFAOYSA-N	423.485	5.027	30	20	HKED	
N#C[C@H](C(=O)c1sccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1	520658259	CRMLCTHPAVIEFL-LLVKDONJSA-N	410.854	5.616	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	523088697	WMADAPJKHMLEOO-HUUCEWRRSA-N	406.473	5.917	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1ccccc1F	524214715	ALTODNUVHOTSSZ-UHFFFAOYSA-N	412.515	5.587	30	20	HKED	
Cc1ccc(OCc2nc(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)cc1	531210731	NCENGJBYGKKRKM-DHIUTWEWSA-N	403.551	5.302	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(C)noc1C	534569787	SGSUZJOCRWMISZ-IBGZPJMESA-N	424.888	5.882	30	20	HKED	
N#CCc1cccc(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1	534970325	ZAAQNVFVSIWUCR-UHFFFAOYSA-N	403.187	5.253	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1	536278924	BSDQOONBWZTPIY-QAPCUYQASA-N	415.946	5.277	30	20	HKED	
COc1ccc(SCCC(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1OC	536971399	JTPOCAWROXPYSQ-UHFFFAOYSA-N	404.557	5.055	30	20	HKED	
O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1	538726599	HXPGXYISKYRERF-UHFFFAOYSA-N	419.340	5.357	30	20	HKED	
C[C@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541074493	MYOUSCBQUWNLFO-KRWDZBQOSA-N	424.529	5.164	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)n1	541200075	WHRVXXDYACTWOS-HNNXBMFYSA-N	415.301	5.479	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccc(Oc4cccnc4)cc3)no2)cc1	545665270	SHQKCLYNMGQWMU-UHFFFAOYSA-N	400.463	5.229	30	20	HKED	
N#Cc1ccc(-c2nnc(CS[C@@H](c3ccccc3)c3ccc(Cl)cc3)o2)cc1	555159801	TVLCATBXUXTXBM-QFIPXVFZSA-N	417.921	6.284	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	571410970	MQNJWHDYFJKZDU-VQTJNVASSA-N	405.464	5.191	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	583040376	DITSNJOGWJJCRW-UHFFFAOYSA-N	402.469	5.501	30	20	HKED	
N#CC1(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CCCC1	585705256	HXNDCZXFRCNYNC-UHFFFAOYSA-N	410.926	5.945	30	20	HKED	
N#CCCCCCC(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1	588827339	CXFYXBHPCKIUFS-UHFFFAOYSA-N	403.551	5.860	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3Nc1ccc2c(c1)CCC(=O)N2CCCC#N	588957967	XENSHFAEJXLUNJ-HSZRJFAPSA-N	412.537	5.549	30	20	HKED	
O=C(NCC#Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	591549246	YYGSMGOJJFEBKV-UHFFFAOYSA-N	424.331	5.152	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1ccccc1Cl	601931190	DDYCPLREDKXOHA-CYBMUJFWSA-N	410.861	5.073	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCSc4ccc(F)cc43)cn2)c1	603693000	SDMUYNKOZDACSB-LJQANCHMSA-N	420.469	5.243	30	20	HKED	
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)c(C)c1	604457320	HQYBBSYADHGBGN-SFHVURJKSA-N	411.505	5.314	30	20	HKED	
CC(C)(C)c1nc(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cs1	608847553	PVQHMLFKLITYHA-UHFFFAOYSA-N	407.564	5.321	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)cc2)c1	609063570	DMALJTNUHWMCBB-PMACEKPBSA-N	402.416	5.444	30	20	HKED	
CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609078328	JEEFMFLPVMTCIO-UHFFFAOYSA-N	413.521	5.808	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)Cc1ccsc1	609079332	WVPWKHKCRXTXOS-QGZVFWFLSA-N	405.523	5.260	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1	609376437	AHWRBWRDJPHJAJ-FDDCHVKYSA-N	418.587	6.410	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1	609556650	KSEMECPURZNSHJ-RHKCVOJBSA-N	421.541	5.096	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCC2(c3cccc(Br)c3)CC2)cc1	609683215	LLACKVBHWLPXNL-UHFFFAOYSA-N	412.331	5.104	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl	610142734	MCPUIKGDFTXQPC-IGCXYCKISA-N	403.910	5.551	30	20	HKED	
C[C@@](CO)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	610507281	MYBCZEHXVVKYPO-QPPBQGQZSA-N	419.912	5.025	30	20	HKED	
Cc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1C(=O)NC(C)C	610910812	LNHSUHAIMWSQCI-UHFFFAOYSA-N	413.521	5.196	30	20	HKED	
COc1ccc(CN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C2CCCCC2)cc1OC	611285451	CYCXDHBBKKIPLS-SFHVURJKSA-N	421.541	5.181	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1cccs1	642077046	CLGANGVPYKLXOU-UHFFFAOYSA-N	406.482	5.264	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(-c2ccccc2F)o1	642158185	RWDOOPIZGNHJHE-QWRGUYRKSA-N	423.328	5.725	30	20	HKED	
O=C(Nc1cccc(OCCF)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675374029	GHKKFGGRFZPTAE-GHMZBOCLSA-N	416.337	5.066	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	682777331	LRTCHOPGGRXKEB-OAQYLSRUSA-N	401.554	6.431	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=S)Nc2ccc(OC(C)C)cc2)cc1	726475696	RGDRRLPWOREUEK-UHFFFAOYSA-N	409.555	5.097	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1Cl	726486934	HBNPAODLCOBOOU-UHFFFAOYSA-N	412.877	5.025	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)cn2)cc1	726913672	NBXGCIDHEQIFFU-XMMPIXPASA-N	413.477	5.385	30	20	HKED	
CC(C)(C)CN(CCC#N)Cn1nc(SCc2ccc(F)cc2)sc1=S	729468212	PWOJZWGFJKZJDJ-UHFFFAOYSA-N	410.609	5.325	30	20	HKED	
C=CCOCC(=O)Nc1nc(-c2cc(C)n(Cc3ccccc3Cl)c2C)cs1	729512544	JNBRPRCZUDRNLL-UHFFFAOYSA-N	415.946	5.071	30	20	HKED	
COc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC(C)C	731114677	UNVLNQPPYQTWOG-INIZCTEOSA-N	413.543	5.056	30	20	HKED	
COc1ccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cc1[N+](=O)[O-]	731938618	QQWDFGWFRBPBPA-RAXLEYEMSA-N	410.426	5.079	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccccn3)n2)CCc2nc(-c3ccccc3F)sc21	731939939	XWIQOGKMSYVGSQ-QBFSEMIESA-N	419.506	5.680	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12)c1ccncc1	734668856	LYUGFSYVYIKXMH-UIOOFZCWSA-N	407.517	5.941	30	20	HKED	
CCCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1	735793694	XCMVAZKNTPDBDI-HXUWFJFHSA-N	401.510	5.443	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	737530221	RBJAUKUBIAFRFA-MRXNPFEDSA-N	411.427	5.019	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C)cc1	739154950	NJSHFOWRWXKCOJ-WMLDXEAASA-N	403.309	5.533	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)c1	739458155	CXKOOGHLQZDPIL-QFIPXVFZSA-N	406.938	5.406	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N(C)C(=O)OCC)cc1	739533446	CZGKRQOKKDELQC-UHFFFAOYSA-N	422.403	5.115	30	20	HKED	
COc1ccc(-c2nc(CNCc3cccc(-c4ccc(C#N)s4)c3)cs2)cc1	740013332	DPKNMJDKHPDYFT-UHFFFAOYSA-N	417.559	5.709	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	741183902	ITKCSWCQNXCFJN-UHFFFAOYSA-N	415.468	5.054	30	20	HKED	
CCCCCC[C@H](C)NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1	743450359	JKGKGNIXGGJWKC-AWEZNQCLSA-N	408.518	5.388	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1)C(=O)O	745021431	OJSHTCHLWOFNHQ-CFRMROPGSA-N	423.446	5.071	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C)Cc2c(Cl)cccc2Cl)c1=S	746029741	YHYUKWCFIMVUDU-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
CC(=O)N(c1nc(/C=C2\CCSc3ccc(Cl)cc3C2=O)cs1)C1CC1	748440790	GKCUQQLYZKJBBS-XYOKQWHBSA-N	404.944	5.074	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2ccccc2n1C	750681138	YCAZNPCBHHECBV-CZUORRHYSA-N	420.925	5.132	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)c3ccc(OC)cc3)n2)cc1	750690120	BVZCEWIBCRKGFC-QRWLVFNGSA-N	406.507	5.197	30	20	HKED	
CC[C@H](Oc1ccccc1C)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	750691290	LNKPABAZIBATDU-QUCCMNQESA-N	406.507	5.161	30	20	HKED	
CCc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	751015885	YPWDXKPVXNUUFU-UHFFFAOYSA-N	403.507	5.730	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccccc4C#N)nc(O)c23)s1	755580913	IVFLTNXLFZCNBR-NVNXTCNLSA-N	409.923	6.042	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1csc2ccccc12	756232868	HKISPXQVKLZMBA-OAQYLSRUSA-N	418.562	5.696	30	20	HKED	
CC(=O)N(c1nc(/C=C2/CCc3c(Cl)sc(Cl)c3C2=O)cs1)C1CC1	760265847	WASUTWMKHPWQCO-TWGQIWQCSA-N	413.351	5.239	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1	760790549	VNLJUEZSYRHRPE-UHFFFAOYSA-N	414.795	5.565	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1	760790584	WMYHCNSUFXJVPI-UHFFFAOYSA-N	420.406	5.587	30	20	HKED	
C[C@@H](Sc1ccccn1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	762067014	FIEOPWYFQUIHHT-PWSUYJOCSA-N	407.442	5.067	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H]2c2cc(C)ccc2C)c1=S	765078804	WJKLADFXYSVQMG-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)c1ccccc1	774259238	FYCZEMVMSJHWPR-RBUKOAKNSA-N	416.443	5.116	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)Cc2csc(-c3ccccc3)n2)cc1	774577161	YFIWOLDXGSQWNI-UHFFFAOYSA-N	406.507	5.001	30	20	HKED	
CC(C)(C)Sc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccn1	778629386	GOUAIUKWLHTNQD-UHFFFAOYSA-N	407.461	5.049	30	20	HKED	
Cc1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)CCOCC2)cc1	779195011	SHNZCBISTNMJFC-KRWDZBQOSA-N	410.926	5.183	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1	780152653	GMCKXQAFSJHHNM-GAJHUEQPSA-N	420.896	5.698	30	20	HKED	
Cc1c(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)sc2ccc(C#N)cc12	796614035	HMQMJAMCSXRFTJ-WMLDXEAASA-N	424.547	5.052	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)Sc1nc2ccccc2s1	804560074	QXCYLLILGRQIHL-INIZCTEOSA-N	414.600	5.159	30	20	HKED	
O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cc(F)c(C(F)(F)F)cc1F	804572940	UFYRNBUEHOESKR-UHFFFAOYSA-N	424.291	5.114	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1	805856187	VEZYVEJKOUNOJT-HNNXBMFYSA-N	413.930	5.558	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1F	813212231	ZUXGSBMJSNYNMV-CYBMUJFWSA-N	423.366	5.077	30	20	HKED	
CCOc1cc(C#N)cc(Br)c1OCc1nc(C2CCCCCC2)no1	904680450	VNFWNNSMGXGNPX-UHFFFAOYSA-N	420.307	5.119	30	20	HKED	
N#CC(CCOC(=O)CCC(=O)c1cccs1)(c1ccccc1)c1ccccc1	914884759	NNTDLTDSCIYJDG-UHFFFAOYSA-N	403.503	5.154	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1	915084981	CGABGXFXUWGBRJ-OAQYLSRUSA-N	410.395	5.535	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2nc[nH]c2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915102607	ADKRAQJBYQFQRB-ZDUSSCGKSA-N	413.289	5.483	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1	915350461	VZEGSYXCNMHRLD-QFIPXVFZSA-N	424.479	5.553	30	20	HKED	
CCOc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	916153238	HSWKPXAMUBUQPK-XNTDXEJSSA-N	405.881	5.887	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C	916906559	DPVJFEVQSOOWQE-DSTYWPJMSA-N	424.500	5.765	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1	916924907	GQDXSAXJTIPIPY-HNNXBMFYSA-N	419.308	5.062	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C(F)(F)F)cc3)n2)cc1	916974168	FPONFBGMYDTYGS-KRWDZBQOSA-N	416.424	5.393	30	20	HKED	
CC(=O)c1ccc(CC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1	917032971	YTKWOTCKZDZYBF-YVXFQLMNSA-N	418.562	5.232	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1	918489422	LOBUCFXHNBQDHZ-INIZCTEOSA-N	414.889	5.638	30	20	HKED	
N#C[C@H](C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)c1ccccn1	920107511	AWYWZTNBBSQYMZ-HNNXBMFYSA-N	421.287	5.282	30	20	HKED	
CCCOc1cccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1	1615986126	XKFHFDAIKIWQPC-UHFFFAOYSA-N	412.493	5.136	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(C)ccc5[nH]4)CCC3)cc2)C1	1785807737	OXRSOEYIPJRMGN-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)cc2)CCC1	1787031014	WILGNPHUNLYUKV-UHFFFAOYSA-N	413.521	5.314	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1	10574400	BULNYTHLXNLACE-UHFFFAOYSA-N	418.341	5.077	30	20	HKED	
C=CCN(C(=O)c1ccc2ccccc2n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	14724193	KIFCLFQMSIPKIQ-UHFFFAOYSA-N	416.462	5.099	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1Cl	21317311	LVDNOMRAYQVPCL-INIZCTEOSA-N	418.852	5.074	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1cc(C)cc(C)c1	23603918	KSEAZRAXRGODSF-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2cccs2)cc1	48161554	KWALOOYEKPXBIO-JOCHJYFZSA-N	417.534	5.762	30	20	HKED	
C=CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1ccc(OC)cc1	59423208	FFOLXYNOXKEKBZ-UHFFFAOYSA-N	413.732	5.282	30	20	HKED	
C=CCOc1ccc(CN[C@H](c2ccc(C)cc2)c2ccc(OC)cc2)cc1OC	62258875	QRAQOHRYJYXPPH-AREMUKBSSA-N	403.522	5.456	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c(Br)cc1O	72042105	XIUZHHSLESGAIU-QPJJXVBHSA-N	401.178	5.078	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccccc3F)s2)ccc1OC	236896696	CQEQZBZUQDTHTE-QGZVFWFLSA-N	410.514	5.534	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)CSc1ccccc1	261463003	QMLVAKJCBNJVAB-QGZVFWFLSA-N	403.507	5.421	30	20	HKED	
N#Cc1cccc(COc2ccc(Nc3nn4cc(-c5cccnc5)nc4s3)cc2)c1	302091136	MGGWYLVNXSXRNM-UHFFFAOYSA-N	424.489	5.047	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)c(OC)c1	302921005	KLIXUOFKZXWLSM-UHFFFAOYSA-N	420.534	5.129	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc21	303579663	DGRQYBWCMDAURD-UHFFFAOYSA-N	414.431	5.689	30	20	HKED	
COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCCC(C)(C)C#N	410319113	SQAPZHIOYUEOQE-UHFFFAOYSA-N	402.494	5.728	30	20	HKED	
N#CCCn1cc(CNc2ccc(SC3CCCC3)cc2)c(-c2ccncc2)n1	433300426	DPWPDMHBUQDBTQ-UHFFFAOYSA-N	403.555	5.506	30	20	HKED	
CCn1nc(C)c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	437783050	WUBJXTGWDZCMCE-LJQANCHMSA-N	407.905	5.473	30	20	HKED	
FC(F)(F)C[C@@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccc(C(F)(F)F)cc1	440637139	LLXKHMTYPHMCQU-LLVKDONJSA-N	405.264	5.231	30	20	HKED	
C=CCC[C@H](NC(=O)CSCc1cscn1)c1ccc(C(F)(F)F)cc1	441537409	CLRBKSMESQXWIC-INIZCTEOSA-N	400.491	5.219	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cnn(CC(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	442223416	QOXUDDSOFGLZJT-OAHLLOKOSA-N	420.357	5.293	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccco1)c1cccc(C#N)c1	442905762	SXCCPLDNEAIVFA-OAHLLOKOSA-N	404.470	5.450	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NCC(=O)N(CCC#N)c1cccc(C)c1C	444776829	CSCSGEIWZWVCIN-HXUWFJFHSA-N	417.475	5.142	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CCCC1(C)C	444898678	PDCWLFNWFQJPPQ-MNNSJKJDSA-N	410.583	5.593	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1	446064768	WZNWBDNMCWZBDR-UHFFFAOYSA-N	417.440	5.080	30	20	HKED	
Cc1cc(-c2ncccc2NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cs1	446428894	AXVWSFAPVKQGKO-UHFFFAOYSA-N	400.507	5.311	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](COCc4ccccc4)C3)c2)cc1	460523565	WLLLMUUAACFBPT-QFIPXVFZSA-N	412.489	5.029	30	20	HKED	
Cc1ccc(SCc2nnc(N(CCC#N)CC3CC3)n2Cc2cccs2)cc1	461315351	IVJXURKNMQWNDZ-UHFFFAOYSA-N	423.611	5.119	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CCCC1	465251225	IVGZQOBJLAFHIX-KRWDZBQOSA-N	411.546	6.197	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1ncccc1OCCCC#N	466610805	ZKQZFDBVNFTMES-CVEARBPZSA-N	400.910	5.073	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(-n2cccn2)c1	467610472	KDDHXZOMKUWMNR-GOSISDBHSA-N	423.476	5.419	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1ccccc1)C2	469458089	ZPXSKQCIOKDZPC-XMMPIXPASA-N	414.530	5.251	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	469674044	QLCISWMBTBRABI-QGZVFWFLSA-N	408.571	5.667	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C(F)(F)F)o1	471723923	ALYWPCYKRBUJOP-UHFFFAOYSA-N	414.383	5.504	30	20	HKED	
C=CCN(C(=O)c1cccc(C(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	475010027	UPFXXJJPBOJSGF-UHFFFAOYSA-N	408.483	5.070	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1	475565271	DBYQKSDIJUYJNW-OAQYLSRUSA-N	422.960	6.437	30	20	HKED	
CC(C)(CC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	481070950	MVSKYQXVOOOVJH-LLVKDONJSA-N	409.292	5.794	30	20	HKED	
O=C(NC1CCC(F)(F)CC1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482341635	FGQFDYFHSCVXMB-LBPRGKRZSA-N	404.301	5.186	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	482837642	GXGMMLVJLIEAOT-INIZCTEOSA-N	401.466	5.195	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(C3CCCC3)CC2)cc1F	483545469	AJLSZANDDDTMON-UHFFFAOYSA-N	422.504	5.018	30	20	HKED	
C=CCN(C(=O)c1scc(C)c1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	485627915	LMMFBWIUXZISNS-UHFFFAOYSA-N	419.915	5.574	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccccc1	489007452	GOSDEUFFSOPLFC-FUFSCUOVSA-N	409.595	5.957	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	489420405	YMYMODVHDUDRDT-ZCYQVOJMSA-N	416.569	5.679	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1OCC(F)F	497535247	DBHIXQHETGTPAP-AEFFLSMTSA-N	419.859	5.288	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	499831525	GNNJRMIDWXSISM-HNNXBMFYSA-N	402.306	5.420	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1C#N	501746233	GBNHLQRTLFPOSH-UHFFFAOYSA-N	403.294	5.025	30	20	HKED	
Cc1c(C(=O)Nc2cc(Br)c(F)cc2F)sc2ccc(C#N)cc12	505068856	QDRSQVJURUPEJD-UHFFFAOYSA-N	407.239	5.374	30	20	HKED	
N#C[C@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)c1cccc(Cl)c1Cl	505349667	LSIYQGCMMDVXGL-KRWDZBQOSA-N	423.727	5.076	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)C1CCCCC1	506530028	FKTUOWJUHBMLLX-RDTXWAMCSA-N	417.962	5.205	30	20	HKED	
Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	507196089	WUKFUDXBOPVEPG-UHFFFAOYSA-N	415.468	5.174	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)[C@@H](C)c1ccc(C#N)cc1	507688138	MONXQKLOBSNYBG-INIZCTEOSA-N	422.529	5.422	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCCCC#N	508367491	AJYXGOVZRIRBDG-UHFFFAOYSA-N	421.932	5.028	30	20	HKED	
Cc1cccc([C@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C(F)(F)F)c1	510470235	HZLGJZAAAMNDGU-YWZLYKJASA-N	421.488	5.079	30	20	HKED	
CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	511927786	RTIDKRSYZZZZOV-CYBMUJFWSA-N	422.428	5.095	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1	512068319	QRAACYZLGMIFKN-UHFFFAOYSA-N	419.532	5.053	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C1CC1	513731914	BQVVPSIXRZEUBU-AWEZNQCLSA-N	421.888	5.231	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(OC(F)(F)F)cc1	515699506	YZFOWGCRURFYSM-UHFFFAOYSA-N	402.397	5.367	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4ccccc4)oc3C)n2)cc1	516269979	IDLBSJPXSJQMKB-SFHVURJKSA-N	415.474	5.272	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	516514087	GKWXMXGBQWMCPX-NRFANRHFSA-N	420.900	6.014	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C#Cc2ccccc2)cc1)c1nc(-c2ccncc2)cs1	516764991	GDDHKEXITNHRJQ-QFIPXVFZSA-N	405.482	5.095	30	20	HKED	
C[C@H](COCC(F)(F)F)NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1	519289561	HYBXKOBAVBQNSZ-LLVKDONJSA-N	423.328	5.209	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N)CCC2	522072418	MFGGTPKRSAHSDV-SUMWQHHRSA-N	400.573	5.387	30	20	HKED	
C[C@@H](Oc1ccccc1Br)C(=O)Nc1sc2c(c1C#N)CCCCC2	524161936	KAWKJWIVLBBNQS-GFCCVEGCSA-N	419.344	5.057	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3c3ccccc3Cl)o2)cc1	524417161	MJLPIJKGKQATGN-NRFANRHFSA-N	406.869	5.361	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1c(C)cccc1-c1nc2ccc(F)cc2n1C(C)C	525104333	WZCPYGROMCMWBU-KRWDZBQOSA-N	409.505	5.651	30	20	HKED	
CC[C@H](C)Oc1cc(C)ccc1CNCc1cn(CCC#N)nc1-c1ccccc1	531535906	JLHNRFVAOLLKNG-FQEVSTJZSA-N	402.542	5.239	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@@H](C)N[C@@H](C)c3ccc(C#N)cc3)s2)cc1OC	532206837	WQLWHJHDFARXJH-JKSUJKDBSA-N	421.566	5.343	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)CCC(=O)Nc3ccccc3C#N)s2)cc1	533425759	ZZYRYNFLGRQNSH-GOSISDBHSA-N	418.566	5.320	30	20	HKED	
CCCCOc1ccc([C@H](C)NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC	538392895	CBNNXTRYZAEXMR-FQEVSTJZSA-N	421.585	5.061	30	20	HKED	
N#CC1(c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)cc2)CC1	538558626	KMWYPMPCBFEMEE-UHFFFAOYSA-N	411.235	5.080	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](C#N)CCc3ccccc3)s2)cc1	539934537	QQYBTVUOSUINQD-DYESRHJHSA-N	403.551	5.377	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)c1	540524143	CUTFZALSHCGCGJ-UHFFFAOYSA-N	422.872	5.226	30	20	HKED	
COC(=O)[C@H](C)Oc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541211966	CTGIXDFRNXQGEG-OALUTQOASA-N	414.505	5.016	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1	541358273	YSJHCCMXDRFWTG-HSZRJFAPSA-N	418.518	5.056	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCc1cccc(F)c1F	544083017	XDQZEVUZZNNNRJ-AWEZNQCLSA-N	406.523	5.131	30	20	HKED	
CC(C)c1cc(Br)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	544259874	RDZKOXFWBSEOAM-UHFFFAOYSA-N	412.331	5.641	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(F)cc1Br	548651384	LQGQGDKGOYIITG-GFCCVEGCSA-N	422.323	5.304	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNc2ccc(C#N)cc2)cs1	552240605	BPTXEVSEDNXPHS-UHFFFAOYSA-N	416.428	5.330	30	20	HKED	
Cc1c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)sc2ccc(C#N)cc12	555657790	SDGNCSBTDVSQAF-UHFFFAOYSA-N	417.515	5.648	30	20	HKED	
C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(OC(C)C)CC1	558675484	JNQCEEBZWJHJKC-UHFFFAOYSA-N	416.978	5.393	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ccccc3OCc3ccncc3)cc2)ccn1	571645729	IPRQKOIXAKBFQX-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
C=C[C@@](C)(O)CC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	574561502	JBBSAFRSDREKKI-OAQYLSRUSA-N	400.837	5.085	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccnc(Oc2ccccc2Br)c1	574791046	IZBFUSNQVDVABD-UHFFFAOYSA-N	417.307	5.088	30	20	HKED	
CN(C)Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	576654867	WNNBOMIZGOAFNS-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1c(F)cc(C(F)(F)F)cc1F	582637758	QCAQNSGZQAKMSX-UHFFFAOYSA-N	424.291	5.114	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N[C@](C)(C#N)C(C)C)c2nc3ccccc3s2)c1	585720284	WOOGQRGMDFACMR-IDJAJCJQSA-N	419.550	5.290	30	20	HKED	
N#CCCn1ncc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1-c1ccccc1	589593336	LKXPBXDJSUSXDF-UHFFFAOYSA-N	424.508	5.171	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc(F)cc2)c2ccc(Br)o2)cc1Cl	590254382	BFSKBIRROXGJKZ-LJQANCHMSA-N	419.681	5.585	30	20	HKED	
N#Cc1c(NC(=O)CSCc2coc(-c3ccccc3)n2)sc2c1CCCC2	603749842	BWQKATSJAVNKJZ-UHFFFAOYSA-N	409.536	5.025	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2cccc(Cl)c2)no1	604007643	KTWGRGNTDOBJKS-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN1CCc2ccccc21	604085886	OYEZNHLNDNQZNU-UHFFFAOYSA-N	424.548	5.565	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC3(CCCCC3)CC2)cc1C	608821761	ZNDCDFQRUYZDQF-UHFFFAOYSA-N	404.558	5.267	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCc2ccccc21	609056896	WQWFKDNKMZMOJZ-QHCPKHFHSA-N	400.478	5.270	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1	609377230	RZIOHQIBNLYACE-HNNXBMFYSA-N	410.470	5.502	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)o1	609428356	UNWSHTXCEREKNX-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1C	609535300	HCHVONFUNKXEQY-UPVQGACJSA-N	412.537	5.147	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCn3c2nc2ccccc23)c1	609722808	JODDSIOCTRGDAV-UHFFFAOYSA-N	414.852	5.014	30	20	HKED	
CCO[C@@H](C)c1nc(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cs1	609754110	BXRDPUAKXLJNEG-ZDUSSCGKSA-N	423.563	5.121	30	20	HKED	
CC(C)COC[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccco1	609990191	GVJOGIWOJLBNCS-QFIPXVFZSA-N	403.482	5.039	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	610010453	ZPWCSHOIDUHGPF-FXAWDEMLSA-N	416.550	5.324	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1	610863282	METUTHKUDLLDFW-FQEVSTJZSA-N	420.925	5.467	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc12	613290867	OJPJWPAMSUTVQY-FQEVSTJZSA-N	422.513	5.493	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4nccs4)c3C)n2)cc1	613314714	WFAGNPNEPKKZCP-GOSISDBHSA-N	418.547	5.473	30	20	HKED	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1	613377214	AHCBITGGCSLWMV-INIZCTEOSA-N	420.559	5.226	30	20	HKED	
CCCOc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	613404587	OTVIYYVBXZGBDJ-OAHLLOKOSA-N	404.413	5.594	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1	626583006	DHQGGGRNTVLUPZ-UHFFFAOYSA-N	418.478	5.116	30	20	HKED	
O=C(CCCOc1ccc(F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157310	FYLSLEUHSXPNHF-VXGBXAGGSA-N	415.349	5.010	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](COCC)C1	670230077	WWKUWEXFKODIIK-KRWDZBQOSA-N	421.010	5.053	30	20	HKED	
C=CCN(C(=O)c1coc(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	673432481	FOYQULSRUNFERP-UHFFFAOYSA-N	401.491	5.606	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2csc(-c3cccc(F)c3)n2)c1	728185285	JPXXTIUSMPZMMN-UHFFFAOYSA-N	416.477	5.299	30	20	HKED	
C#CCN(C(=O)Nc1ccccc1Cl)[C@H]1CCOc2ccc(Br)cc21	733333188	VXAQSOZVVKQTAK-KRWDZBQOSA-N	419.706	5.093	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(F)cc2OCC(F)(F)F)cc1Cl	733753083	FMSKUDCJMIPOGJ-UHFFFAOYSA-N	403.788	5.101	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	734819443	IGFYLVCVSYQWAK-LJAQVGFWSA-N	420.559	5.003	30	20	HKED	
O=[S@@](Cc1cccc(N=Cc2cc(Br)ccc2O)c1)C1CCCCC1	734979894	VHWNBPPTKOZQRA-VWLOTQADSA-N	420.372	5.487	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SCc3cc(Cl)ccc3OCC#N)o2)cc1	735230130	CVPXDKRAMYPDLB-UHFFFAOYSA-N	413.930	5.882	30	20	HKED	
O=C(/C=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)c1c(Cl)nc2ccccn12	743056114	POPISBJCFPCFSU-IQIBNGDESA-N	417.292	5.095	30	20	HKED	
C=CCCOCC(=O)O[C@@H](C)c1sc(-c2ccccc2Br)nc1C	744319562	IQVQIQKEFSMNBS-ZDUSSCGKSA-N	410.333	5.078	30	20	HKED	
COc1cc(C(=O)/C=C/c2c(Cl)nc3sccn23)ccc1SC(F)F	746346759	UPXFCUGXRRPBGR-ONEGZZNKSA-N	400.859	5.269	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)c(-c2ccccc2)n1	747191936	PDRSNTLBQMQGFG-FPLPWBNLSA-N	402.306	5.728	30	20	HKED	
COc1ccc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1OCCCC#N	747361315	KJCYFUIVHPNVKC-AXPXABNXSA-N	418.449	5.116	30	20	HKED	
C[C@H](OC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(C#N)cc1	748685459	QHBMLNGJLWCCJO-AWEZNQCLSA-N	412.898	5.094	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CC(c1ccccc1)c1ccccc1	749361141	SJXWNNUBZKBPAC-UHFFFAOYSA-N	405.501	5.344	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	751152244	MOTLBUUERGUVKT-KRWDZBQOSA-N	405.281	5.132	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCSc3ccnc4cc(Cl)ccc34)[nH]c12	751844384	PAEHFUABYOVEQW-INIZCTEOSA-N	420.925	5.432	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cc(Br)ccc1Cl	755312528	MSQKIUBKSBGLNI-GFCCVEGCSA-N	422.710	5.057	30	20	HKED	
N#CCCN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)Cc1ccco1	755859462	FYDZFJZMFNMSAF-UHFFFAOYSA-N	421.111	5.248	30	20	HKED	
C=CCN(C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C)C(C)C	757768642	UZCQJQBCMHOOSP-AWEZNQCLSA-N	422.392	5.548	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)NCCC(c1ccccc1)c1ccccc1	760484911	KOQWZHLHFWXKDK-UHFFFAOYSA-N	403.457	5.072	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	766275624	OTMRWKIECNJKFD-INIZCTEOSA-N	424.472	5.626	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1	780149521	QDPTYIXZLQZSDM-IVZQSRNASA-N	408.404	5.014	30	20	HKED	
O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1sccc1SC(F)F	784142125	YATKKMSWNSEVBX-NSHDSACASA-N	403.344	5.374	30	20	HKED	
Cc1c(C(=O)/C=C\c2cccc3c2N(C(=O)OC(C)(C)C)CC3)cnn1C(C)(C)C	787187185	RKZCOLJRNSBWIK-QXMHVHEDSA-N	409.530	5.140	30	20	HKED	
COc1cc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)ccc1Cl	788472793	ZOORZAOMQWENRL-UHFFFAOYSA-N	417.900	5.101	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccncc1	788792423	YUXBRALNYDKYPQ-IRLDBZIGSA-N	419.504	5.165	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(C(F)(F)F)nc1O	789126379	DSOCWNQEPDJUKL-ALCCZGGFSA-N	410.804	5.479	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)n2)c1	790959812	JZQUDOXBUSGGKU-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1	798815825	BGDFGGHIJRDEHF-CXAGYDPISA-N	400.425	5.809	30	20	HKED	
Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1C#N	799350055	MULQNTFSOYPSPN-UHFFFAOYSA-N	409.411	5.123	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)N1CCC(C#N)(c2ccccn2)CC1	800112247	IRHNQJSQFHCDHD-SEYXRHQNSA-N	413.521	5.268	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2cccc(C)c2)c2cccc(F)c2)ccc1OC	800975042	VQYXCTQQZXBFLD-OZXSUGGESA-N	418.512	5.703	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C/c2csc(-c3ccc(OC)cc3)n2)C(=O)c2ccccc21	802706762	YHGASMKHLMCMLY-MJGOQDMVSA-N	419.502	5.135	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCOC2=O)cc1)=C\c1cccc(C(F)(F)F)c1	806571982	SEGIAFJZFVTMOY-FZBBFINZSA-N	401.384	5.504	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813214921	FMFCLWAQILWVMX-CABZTGNLSA-N	419.255	5.764	30	20	HKED	
C=CCN(C(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1)C(C)C	915284477	LMPDCXRFOUYXRO-UHFFFAOYSA-N	424.360	5.135	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SC(F)(F)F)cn2)cc1	916074417	SCKADKOUHIWFBO-UHFFFAOYSA-N	415.396	5.610	30	20	HKED	
Cc1cc(C=Nn2c(C)nc3ccccc3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1	916292547	DELADFVXFANHNX-UHFFFAOYSA-N	424.426	5.013	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c2ccccc21	916946396	SYQNKZCEVXJEOY-AWEZNQCLSA-N	420.683	5.100	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	917069711	YHHNHHPHNHTYHK-CTNGQTDRSA-N	419.550	5.098	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1	1785966974	RYLIEUKZGHUCAV-HXUWFJFHSA-N	419.525	5.068	30	20	HKED	
C=CCNc1nnc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1	5782865	KTYVORNZYRAPGK-LJQANCHMSA-N	406.536	5.334	30	20	HKED	
Cc1cc(C)c(C(=O)/C(=C(\S)Nc2cccc(C)c2C)[n+]2cccc(O)c2)cc1C	10167910	SHCOBLZNOLCUCU-UHFFFAOYSA-O	419.570	5.273	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCc2ccc(C#N)cc2)c2ccccc2)c1	12954316	IFKKNMGRIKVRQK-VWLOTQADSA-N	412.489	5.031	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(N(C)C)cc2)c1	22729815	XDRHHAARUVLQRA-UHFFFAOYSA-O	424.615	5.078	30	20	HKED	
CCN(Cc1ccncc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	47565548	OMNAHUBZUYFABP-OAQYLSRUSA-N	404.901	5.444	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(OC)cc1	53064555	VXHRWCXBZJUMMK-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2c(F)cccc12	55823823	ISFAHILHHHWLBW-UHFFFAOYSA-N	414.436	5.778	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)Nc2cccc(OCCCC#N)c2)c(C)c1	59770498	VVTBYUXIMWFOFA-UHFFFAOYSA-N	417.534	5.785	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	63765105	NDCXQTOABDAKFX-UHFFFAOYSA-N	417.745	5.118	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4cccnc4)cc3)n2)cc1	64686892	HOBWUVGGHXVZQW-OAQYLSRUSA-N	422.469	5.359	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)nc2ccccc21	301331824	LWDOFDHKYWFMFE-MRXNPFEDSA-N	413.447	5.287	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H]1CCCO[C@@H]1c1ccccc1	303049262	UWBFTOHXXCIZEU-KSFYIVLOSA-N	409.436	5.288	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	303261010	FCKNQKYUEDPTBW-QGZVFWFLSA-N	422.579	5.163	30	20	HKED	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1	303968364	ZGUAUBQBMQPHOP-UHFFFAOYSA-N	412.921	5.313	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1	410347077	MTPYHVSRCSZRMF-UHFFFAOYSA-N	423.520	5.372	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)s1	430609429	HUDAHMNEIHTDBY-FQEVSTJZSA-N	415.518	5.789	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC[C@H]3c3ccc(Br)c(F)c3)cc2)CC1	431141918	UJRIQWBZSKFERF-IBGZPJMESA-N	413.290	5.121	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2s1	431493827	JTOXRCNTMLQHOW-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N(CCC(F)(F)F)Cc1ccccc1	433642848	CFRLBSWGRHEOOW-INIZCTEOSA-N	422.344	5.435	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1	434234081	CCWLGMCGJJEQEM-UHFFFAOYSA-N	418.880	5.313	30	20	HKED	
Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12	435388515	GEIDWPFMBMYNRO-LJQANCHMSA-N	403.869	5.156	30	20	HKED	
CCN(C(=O)c1cc(C#N)oc1C)[C@H](c1cccnc1)c1csc2ccccc12	435448832	KZERORVJWKDCIJ-JOCHJYFZSA-N	401.491	5.321	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436389106	NEBBIQIPLIIWFI-RYUDHWBXSA-N	424.307	5.729	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C	436420422	SWBLXDRAHULYLE-UTKZUKDTSA-N	404.510	5.026	30	20	HKED	
N#CCC[C@@H](NC(=O)CCCCOc1ccc(Br)cc1)c1ccccc1	439667420	RKWMUPPPRHETGH-HXUWFJFHSA-N	415.331	5.159	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCO[C@H](c2ccco2)C1)c1ccc(C(F)(F)F)cc1	441535948	RLIJBZKJJDCHEC-HKUYNNGSSA-N	408.420	5.089	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)C1CCN(CCC)CC1)c1ccc(C(F)(F)F)cc1	442281972	ZCWQKYVAXVTHCN-FQEVSTJZSA-N	411.512	5.229	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)ccc3C)n2)cc1	442669351	AXBJVQQQRZWXFF-QGZVFWFLSA-N	411.324	5.680	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H]3Cc3ccccc3)cc2F)c1	443858135	VEROGCHXCXKLKB-QFIPXVFZSA-N	415.468	5.125	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cnn1Cc1ccccc1	443884081	MJTJRHVYCMIRBB-UHFFFAOYSA-N	412.415	5.027	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N(c3ccc(F)c(Cl)c3)c3nccs3)on2)c1	448343460	BMPYYSYNJBBBDI-UHFFFAOYSA-N	424.844	5.441	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc12	463748809	LNJOQOOBALYYLE-CQSZACIVSA-N	405.498	5.898	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	464263465	FLCDOIDGKDQLPS-OAHLLOKOSA-N	420.488	5.241	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc1	467072753	OKBWKTUIUBZWTH-JOCHJYFZSA-N	420.497	5.542	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(CC2CCCC2)c1C	468768017	APOIHXHYIVMYIY-UHFFFAOYSA-N	415.497	5.001	30	20	HKED	
COc1ccc2cc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)ccc2c1	469210021	HJMOZUBVTCDABW-SFHVURJKSA-N	413.521	5.604	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](c1ccccc1)C2	470339763	CUIFNGHYVAOFFN-HSZRJFAPSA-N	401.441	5.037	30	20	HKED	
C[C@H](CCC#N)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1	470442981	ZLVTYIXYAXXWHM-CYBMUJFWSA-N	417.332	5.133	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(-c2ccncc2)cc1	470510766	ZVERRAZYAZPASU-QTLGCAHFSA-N	410.521	5.291	30	20	HKED	
CSc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Cl)cc1Cl	471283865	SAGIFXIYMOVFFH-NSHDSACASA-N	411.379	6.362	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)N(CCC#N)Cc1ccccn1)c1ccccc1	473829542	ODWAKUHODPJSNY-IBGZPJMESA-N	400.482	5.169	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	475100932	AJQLSOLHPFIUFR-UHFFFAOYSA-N	417.896	5.646	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1oc(CC2CC2)nc1C	475351650	AELYYKLYAHFEIF-UHFFFAOYSA-N	403.457	5.102	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(Cl)c(OCC)c(OC)c1	475563691	JVSJDTYRBBXOTC-UHFFFAOYSA-N	416.949	5.921	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	475577759	HOLAQGCMAACGIQ-RDPSFJRHSA-N	405.586	5.571	30	20	HKED	
CC(C)C[C@H]1OCCC[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	480307224	NRNZWDJMUXMFTI-BJKOFHAPSA-N	421.541	5.047	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccnc1OCc1ccccc1F	485525801	VMLKTYIFRSBYJJ-MRXNPFEDSA-N	421.497	5.446	30	20	HKED	
N#CCCN(C(=O)c1cc(-c2ccccc2Cl)on1)C12CC3CC(CC(C3)C1)C2	486570173	CWYQXTMQVDXBCR-UHFFFAOYSA-N	409.917	5.320	30	20	HKED	
CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	487971708	OLVPVHBNMHHYMP-UHFFFAOYSA-N	402.450	5.211	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1	490440883	YYHNHXNIRRRTQL-UHFFFAOYSA-N	411.505	5.411	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC1CCC(C#N)(c2ccccc2)CC1	495435642	YSPZZUKMYWJNMK-BSFYPJFYSA-N	404.480	5.117	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1	498703129	KPRDOQQHFFTKGC-MRXNPFEDSA-N	424.463	5.072	30	20	HKED	
CC(C)CN(C(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(C#N)cc1	499306890	CHMNKCSTBDRKOU-UHFFFAOYSA-N	405.523	5.136	30	20	HKED	
C[C@]1(F)CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)C1	501368958	VNRTTXBJWMENEK-PEWJSSLKSA-N	415.393	5.069	30	20	HKED	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(F)c(C(F)(F)F)c1	505571101	UXUJZKGRVKVZMJ-UHFFFAOYSA-N	422.344	5.324	30	20	HKED	
C[C@@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)N(CCC#N)c1ccc(F)cc1	507226172	BTJAJYYRTBCFIG-GFCCVEGCSA-N	418.444	5.120	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1	507308526	ZQGLKDHWISDWEP-UHFFFAOYSA-N	413.496	5.215	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccsc2Br)c1	509437085	FUTQNQSAOUOKJM-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
C=CCN(C(=O)c1cc(OC)c(C(C)C)c(OC)c1)c1nc(-c2ccccc2)cs1	510330216	VNDYDAXHFMKKAN-UHFFFAOYSA-N	422.550	5.784	30	20	HKED	
CN(CCc1nccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510674608	JGKJJKRQGKQJCB-GOSISDBHSA-N	410.930	5.158	30	20	HKED	
C[C@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	514232530	MRPDVABFTGQNKT-RBBKRZOGSA-N	409.533	5.038	30	20	HKED	
COc1cccc(C2(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)CCCC2)c1	517476231	QJBGCOATERVMKR-UHFFFAOYSA-N	403.507	5.141	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc32)cc1	518137606	MQLJJIPLRFKOAJ-QGZVFWFLSA-N	412.518	5.530	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)o2)c(C)c1	518239438	CZCPTAFPQXVBAM-GOSISDBHSA-N	420.534	6.122	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccc(Cl)c(Cl)c1	519515669	QMDRJAUSTFRFHT-ZDUSSCGKSA-N	409.338	5.795	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c12	521496282	JDSMWEZAYMKPTL-UHFFFAOYSA-N	410.433	5.325	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@@H](c2ccc(CCCC)cc2)c2cccs2)CC1	521594571	KVEAGWNISOUBLF-QHCPKHFHSA-N	411.615	5.130	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	521770041	YRTGISLMKOIBEA-HSZRJFAPSA-N	411.505	5.231	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3ccnc4ccccc34)cc2)c1	522953550	HHGQAFNIGLCVFG-UHFFFAOYSA-N	407.473	5.257	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)c1	524305249	BYOYWOKNCVSRSH-UHFFFAOYSA-N	401.510	5.752	30	20	HKED	
CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	524490933	IRDBZAQZVRSGRA-SFHVURJKSA-N	402.498	5.193	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	524837651	SKCJEKCHIPTAKX-CQSZACIVSA-N	422.392	5.550	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(F)cc2OCC2CC2)cc1	524902679	RCQDAEMZLHJINM-UHFFFAOYSA-N	423.488	5.073	30	20	HKED	
C=C[C@H](CC(=O)N(c1ccccc1)c1nc(C)c(C(=O)OCC)s1)c1ccccc1	534025856	SVRVYONTLHIOSP-GOSISDBHSA-N	420.534	5.653	30	20	HKED	
N#Cc1cccc(NC(=O)CSCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1	535139711	ZMQLEMGWDVIQIJ-UHFFFAOYSA-N	417.412	5.104	30	20	HKED	
CCN(C(=O)c1cccc(OCc2csc(C)n2)c1)c1ccc(C#N)c(Cl)c1	535874684	FKHJKUJIUONWNH-UHFFFAOYSA-N	411.914	5.222	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCOc2c(Cl)cccc21	537255386	TZWYTPYTCOMPJQ-YOEHRIQHSA-N	415.946	5.627	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1SC[C@@H](C)C#N	538123856	BOMSLDPJYCKYKG-ROUUACIJSA-N	411.571	5.015	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)[nH]c12	538578889	PPTYONQSQYKSBA-AWEZNQCLSA-N	424.291	5.162	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3ccccc3C)[nH]n2)cc1C	540419734	PJBIFQDFXNGTEO-UHFFFAOYSA-N	424.508	5.031	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1cc(C#N)cs1	540626387	WZTHVTGYZGHHKV-NSHDSACASA-N	418.385	5.665	30	20	HKED	
C[C@H](NC(=O)NCc1ccc2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	542034484	GTPKCOWWPYWWSY-SFHVURJKSA-N	406.489	5.334	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(SC4CC4)cc3)s2)cc1	542144987	DOSFGXFNDLGPSI-UHFFFAOYSA-N	424.576	5.209	30	20	HKED	
C[S@@](=O)Cc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	545813339	BRBVNZSNBCPIHW-GDLZYMKVSA-N	424.909	5.135	30	20	HKED	
C=CCOc1ccc(/C=C/c2nc(Cc3coc(-c4cccs4)n3)no2)cc1OC	547008706	GXNUYRVJJMQGCB-VQHVLOKHSA-N	421.478	5.121	30	20	HKED	
N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2ccccc2)CC1	549181103	BWMLNXDULKSOBW-UHFFFAOYSA-N	423.923	5.110	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	551291550	RNTAVLPOHFKVRN-GFCCVEGCSA-N	424.307	5.597	30	20	HKED	
C=CCn1c(SCc2cc(F)c(C(F)(F)F)cc2F)nnc1-c1ccncc1	553706113	JFRJIZBYDBVZDS-UHFFFAOYSA-N	412.387	5.115	30	20	HKED	
Cc1ccc(SCc2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2)cc1	558936135	ZCUCNRGDZKQMRC-UHFFFAOYSA-N	417.582	5.057	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc4nc(Cc5ccccc5)oc4c3)CC2)c1	560559110	XKXHEFGYRUPATP-UHFFFAOYSA-N	411.436	5.100	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCc1cc(F)c(C(F)(F)F)cc1F	566637882	XFBDUOCQYUQRBO-QMMMGPOBSA-N	415.328	5.210	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C	574724791	GFUSYCHVBLKBFS-HCUBDLJJSA-N	414.553	5.092	30	20	HKED	
C=CCN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)CC1	592069229	SOSCWVSDMYDFRY-UHFFFAOYSA-N	424.541	5.244	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(CCC)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1	592352074	XTNLDJASHOPOLU-INIZCTEOSA-N	412.405	5.517	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1	604135310	PPEIHEGSVWKNRU-LJQANCHMSA-N	421.378	5.041	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606986989	YDLBNAVEBOQDJG-AWEZNQCLSA-N	420.376	5.326	30	20	HKED	
C=C(C)COc1cc(CNc2ccc(C)c(OCC3CCOCC3)c2)ccc1OC	607365992	IQPNILFJAXKKMB-UHFFFAOYSA-N	411.542	5.376	30	20	HKED	
C=CCOc1ccc(CNCc2cccnc2Oc2cccc(OC)c2)cc1Cl	607367656	MKPQTWHISDWEPA-UHFFFAOYSA-N	410.901	5.391	30	20	HKED	
CCc1nc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1	608841618	ROWXKTMKHSCJQE-LJQANCHMSA-N	424.957	5.379	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	608863005	PVPMDCKYHZDJNA-HXUWFJFHSA-N	415.459	6.266	30	20	HKED	
N#C[C@H](NC(=O)CCc1cc2ccccc2o1)c1ccc(OCc2ccccc2)cc1	609173316	OIIFHEZWVHRUTL-DEOSSOPVSA-N	410.473	5.325	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1Cc2ccccc2S1	609378686	ZYSIKHGQVDJUSO-QGZVFWFLSA-N	408.470	5.367	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(Br)c1	609643008	WHLLOPDYZBUHPE-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1	610226966	YBTISHYETABZHJ-UHFFFAOYSA-N	400.444	5.438	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1	610350334	RKOLLZRSAFAHLW-ZWKOTPCHSA-N	417.484	5.398	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1N1CCCCC1	610631217	JWZNKROLOJXKHE-IRLDBZIGSA-N	406.505	5.120	30	20	HKED	
COc1ccc(-c2nc(CNCc3ccc(-c4ccccc4C#N)cc3)cs2)cc1	611346535	NWVVSPUSMWVRHW-UHFFFAOYSA-N	411.530	5.647	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1	611357556	CILIVMBFBATDPX-SFTDATJTSA-N	419.525	5.330	30	20	HKED	
N#C[C@@H](C(=O)c1csc2c1CCCC2)c1nc2cc(C(F)(F)F)ccc2s1	613404557	UFADOAPZTOPIFC-LBPRGKRZSA-N	406.454	5.745	30	20	HKED	
CSc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1NC(C)=O	613407618	ZQKWXUCBOTXSLH-ZDUSSCGKSA-N	415.927	5.120	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1	618800384	FULPUPYOYZBEFH-TZIWHRDSSA-N	407.926	5.349	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	642157004	HUIORKFNBYWTST-MYJAWHEDSA-N	407.276	5.345	30	20	HKED	
COCc1cccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1	642281377	AXAFIKHGXOIVSV-GXYHREHHSA-N	406.551	5.247	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674443745	HZTFBUDXACIQGU-GJZGRUSLSA-N	423.303	5.445	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccc2ccccc2n1	684674463	VVPFXHIEOMWOFG-HNNXBMFYSA-N	407.260	5.217	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1	685545565	ZBPGFLMDLRXWJB-SFHVURJKSA-N	416.884	5.005	30	20	HKED	
COc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1OC	725838077	GFPDSWMCXNAETC-UHFFFAOYSA-N	422.485	5.351	30	20	HKED	
CCN(Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12)C[C@H](C)C#N	726961769	OMLCXVBJHQBZIT-CQSZACIVSA-N	410.901	5.109	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1ccc(OCCC(=O)O)cc1	727267160	DNUKUOMDUWALOR-NYYWCZLTSA-N	411.454	5.007	30	20	HKED	
CC(C)c1nc(C#N)c(NN=C2CCCc3nc(-c4ccc(Cl)cc4)sc32)o1	728429361	DEAHCYKAGHYLLL-UHFFFAOYSA-N	411.918	5.599	30	20	HKED	
Cc1cccc(-c2nnc(COC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)o2)c1	728475838	SMKPAGDQBATZGO-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	728700720	UXOHZDSCMNAJQK-MEODZPNASA-N	404.447	5.510	30	20	HKED	
CN(Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1)Cc1cscn1	731938938	XNPZQKUXWZFWPO-UHFFFAOYSA-N	406.338	5.538	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)OCc2ncc(-c3cccc(Cl)c3)o2)c1	731994317	SMQBNAINSLZSOS-UHFFFAOYSA-N	410.857	5.159	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C)c1ccncc1	734667967	VJXOVBJXHACHKQ-HNAYVOBHSA-N	410.518	5.330	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(SC(F)F)cc2)cc1OCCCC#N	734981769	TTYFEKGVSVMZQU-ONNFQVAWSA-N	403.450	5.589	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)O)c2)cc1	741470776	VPSDAPQZVFJZCL-MJSCBBHESA-N	402.446	5.110	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)ccc1OCc1ccc(F)cc1	742435938	CBVPINCAJQAREQ-ONNFQVAWSA-N	404.437	5.340	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)ccc1OC	745818848	FPFYYZPSEZCLSJ-FGZHOGPDSA-N	421.541	5.121	30	20	HKED	
COc1ccc(CNC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc1C#N	746773053	QCFRPNWBSWZUET-QGZVFWFLSA-N	405.523	5.101	30	20	HKED	
N#Cc1ccc(/C=C2/CN(c3ccccc3)C/C(=C/c3ccc(C#N)s3)C2=O)s1	748996852	BKHUJFNTGJRQKO-APGQMXJTSA-N	413.527	5.109	30	20	HKED	
O=C1/C(=C\c2cccnc2Cl)CC2(CCOCC2)C/C1=C\c1cccnc1Cl	751518659	XXVONWLOYYHWOE-MJZABRMRSA-N	415.320	5.410	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4cccc(F)c4)CC3)s2)cc1	751994059	BYLIEBKPNRJWBH-UHFFFAOYSA-N	420.513	5.156	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCCCc3ccc(Cl)c(Cl)c3)nc12	753551631	BMLHFMRXIKAHIR-CQSZACIVSA-N	401.297	5.162	30	20	HKED	
C=CCN(C(=O)/C=C/c1ccncn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	754029724	LAGFVKKALGUUOI-GQCTYLIASA-N	417.321	5.139	30	20	HKED	
C#CC[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1	757598228	JLHAJISBQDBKEE-IBGZPJMESA-N	414.452	5.252	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(SC)cc2Cl)cc1OCCCC#N	765606224	RTKIZBOUJNGULJ-UITAMQMPSA-N	401.915	5.649	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN(C)[C@@H]2CCSc3ccc(Br)cc32)cc1	769329691	MPSAESIXJCGIIF-AUUYWEPGSA-N	417.372	5.409	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(CCOCc3ccccc3)CC2)cc1	769862603	MQSPAZGXPAEVLO-RUZDIDTESA-N	410.517	5.668	30	20	HKED	
COc1ccc(CNc2ccc3c(c2)OC2(CCCCC2)O3)cc1OCCCC#N	770512151	LFDKXFWJHXCPSH-UHFFFAOYSA-N	408.498	5.421	30	20	HKED	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	775984507	JLLBGHJEIVYNTF-GVAUOCQISA-N	411.505	5.418	30	20	HKED	
N#CC1(COC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCOCC1	780540298	ZQMWOWPRLBULAY-LJQANCHMSA-N	419.905	5.176	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1	780667552	IWJQDMDCMPIVET-OAHLLOKOSA-N	417.431	5.408	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)c2ccccc21	780738302	DJQKEFJJVXHRSA-FCHUYYIVSA-N	407.514	5.492	30	20	HKED	
C[C@@H]1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C1(C)C	781452645	UDALHQYIFOTWCN-KGYLQXTDSA-N	408.445	5.133	30	20	HKED	
CCn1c(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nc2ccccc21	782492628	JWHHKUXXPWUQBV-GOSISDBHSA-N	423.520	5.155	30	20	HKED	
C=C[C@@](C)(CC)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	785467516	XZMVEBAVFRXUFQ-FQEVSTJZSA-N	402.834	5.008	30	20	HKED	
CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccccc1SC(C)(C)C	788430146	SZUJXSHEZHSKEN-UHFFFAOYSA-N	412.563	5.014	30	20	HKED	
C#Cc1cccc(N(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)C(C)C)c1	790904340	UXCWPUQDFQPLJC-UHFFFAOYSA-N	406.526	5.389	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)c2nccc3ccccc23)c1	792104024	NJABJNSJXQIIAK-NRFANRHFSA-N	412.518	5.006	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1cnc2ccccc2n1	792113422	HWFQWAUUDZHUAY-AWEZNQCLSA-N	402.306	5.046	30	20	HKED	
C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccccc2CC)n1	796640332	XWOVMMLTLIHPKH-UHFFFAOYSA-N	403.551	5.026	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c(Cl)c([N+](=O)[O-])c1	796840820	LATLPXLVYCBHBA-UHFFFAOYSA-N	418.796	5.180	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(c2cccc(Br)c2)CC1)c1ccncc1	798414532	QMIVNLKSPTYPHW-HXUWFJFHSA-N	414.347	5.051	30	20	HKED	
CC(C)(C)OC(=O)Nc1ncc(CNCc2ccc(-c3ccccc3C#N)cc2)s1	800257404	HROFCCIOLLXHOJ-UHFFFAOYSA-N	420.538	5.319	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2Nc1nc(Cl)c(C#N)s1	804625671	ADTVCLFNIRKAJV-CQSZACIVSA-N	404.923	5.505	30	20	HKED	
COc1cc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)ccc1OCc1ccccc1	806563021	QWVHPKIHAVDUQF-OOIVEFLKSA-N	414.457	5.112	30	20	HKED	
CC(/C=C\C(=O)c1cccc(N2CCOC2=O)c1)=C\c1cccc(C(F)(F)F)c1	806571698	MKHFVKSASAKAOY-LNJBCKSWSA-N	401.384	5.504	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC(C)(C)[C@H]2c2cccs2)c1=S	808224923	XCYWIQYWJCAFGZ-GOSISDBHSA-N	411.600	5.154	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cc(C(F)(F)F)ccn1	813217544	MKVCVCRURABHJT-HJFNVNOESA-N	418.724	5.662	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	814633885	ORCVZFBAPALXBH-UHFFFAOYSA-N	414.428	5.066	30	20	HKED	
C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1	913359251	BOWRBABVKCORDI-SFHVURJKSA-N	401.462	5.102	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COCc2nc3ccccc3s2)cc1	915088108	ZKRNGFHDOYKPOS-FQEVSTJZSA-N	413.502	5.107	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3Cl)s2)cs1	915114011	ZGIWDDRETYGIDB-CMDGGOBGSA-N	416.955	5.794	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC2CCCC2)cc1	916930632	FBRLBGXGKCSCQY-KRWDZBQOSA-N	417.292	5.276	30	20	HKED	
Cc1cc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(C)C	917738165	SXQKBSMUTAOWNG-HSZRJFAPSA-N	420.534	5.239	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1-c1ccccc1CC2	917773802	CQFFLAFUYJYHDS-UHFFFAOYSA-N	409.854	5.199	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1	920138769	JAAKOOJFAQTSKK-KRWDZBQOSA-N	416.424	5.256	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc(F)c1)c1nc(-c2c(F)cccc2F)cs1	920806032	QOGRRMTUBNVIQL-OAHLLOKOSA-N	416.424	5.263	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1	1789453668	DYMOCYNETACBDJ-SFHVURJKSA-N	412.917	5.449	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/Sc1ccc(C)cc1)C2	1798334819	LWHGNOMUYMBPKO-LWDXMEGWSA-N	424.610	5.007	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cscc2C)[nH]n1	1814442140	MLQQSSHKQDTYHN-GOSISDBHSA-N	414.575	5.078	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccccc1F	11169761	AIKGBCXUXMTOHJ-UHFFFAOYSA-O	419.954	5.441	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12	25535810	XNBDKYMPRGLMAP-UHFFFAOYSA-N	407.495	5.298	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	31678233	BETPYIPGJSXXFQ-UHFFFAOYSA-N	422.488	5.045	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1	60523296	YVEVQKVXHXVIIL-GOSISDBHSA-N	415.440	5.581	30	20	HKED	
Cc1ccc(Sc2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2[N+](=O)[O-])cc1	63325098	KUIZASOHYFYTJY-UHFFFAOYSA-N	403.463	5.203	30	20	HKED	
COc1ccc(/C=C\C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC	209948827	XTZVTUFRPXPQLE-QPEQYQDCSA-N	400.434	5.020	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1	303664350	BVYJECZMVJKRQQ-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
CSC[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	426080891	YYWTUBVVXLUFIV-GOSISDBHSA-N	415.946	5.150	30	20	HKED	
Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cccc(SCC#N)c1	429834038	RQVFTAOBYHKMSU-UHFFFAOYSA-N	401.491	5.115	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccccc1	430899652	JGHHZHFRAXJUFN-HSZRJFAPSA-N	422.960	5.493	30	20	HKED	
C[C@H]1C[C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1Cc1ccccc1	431184112	RRHDVZIUQUYHNX-SVFBPWRDSA-N	422.598	5.113	30	20	HKED	
N#Cc1cnc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c(Cl)c1	431581377	ZKZLJKTWSMUWFE-UHFFFAOYSA-N	409.685	5.289	30	20	HKED	
N#CCCC[C@@H](NCc1coc(-c2ccc(Br)cc2)n1)c1ccccc1	433016766	UMOQGIWPDWCMKY-HXUWFJFHSA-N	410.315	5.629	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	438082932	WMJMNBNFFYTBSF-RFWXGWTQSA-N	423.582	5.679	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1C(F)(F)F	438639160	VAAJNDZBFCJBRB-MRXNPFEDSA-N	416.428	5.556	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H]1CCc2ccccc21	438666832	SGBRXMUNQGAHKK-NRFANRHFSA-N	401.441	5.641	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@H](c3cccc(C)c3)C2)cnn1-c1cccc(C#N)c1	439685113	XOBHXDWWZIXCLV-NRFANRHFSA-N	413.525	5.026	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1	440056822	YJSSDDMPTINOEA-UHFFFAOYSA-N	403.869	5.049	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(C(F)(F)F)cc1	442274943	NTWBCADXZLDLOS-SJLPKXTDSA-N	423.504	5.758	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCCC1(C)C	444901181	KFWHWKTXSXOJDM-LJQANCHMSA-N	410.518	5.125	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C	448408449	WMBHBYBKKPFLME-UHFFFAOYSA-N	403.486	5.608	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccc(F)cc2O1	460316286	IQZRJRLTLNCHPZ-MRXNPFEDSA-N	402.425	5.112	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cccc(C#N)c1	463469028	IPTJMUJIWHPNQH-HNNXBMFYSA-N	409.917	5.016	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1	466298303	PVRMEBMGKDWLPM-GOSISDBHSA-N	419.319	5.181	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	467993866	JGPZYCJIAQEJFT-JFUSQASVSA-N	422.291	5.291	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c1	470220222	XDZWNOROWJEBHF-UHFFFAOYSA-N	416.371	5.217	30	20	HKED	
Cc1cccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1Br	470362938	MHRLCSIDAGMPNP-CYBMUJFWSA-N	418.360	5.331	30	20	HKED	
CC(C)CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCCC1	470568754	ISAUJGGZZOWEQA-UHFFFAOYSA-N	410.562	5.092	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)sc21	470849369	YZLNZOXUYNJALJ-UHFFFAOYSA-N	424.432	5.489	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(Cl)cc1C(F)(F)F	471822801	NDXCMXNZXJZXQH-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nnc1-c1cccc(Cl)c1	481406833	XBLZBOIYTAJLQC-CYBMUJFWSA-N	420.991	5.631	30	20	HKED	
CCN(CCc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481735563	AGMOLIGQIPARAP-UHFFFAOYSA-N	423.513	5.434	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1cc([N+](=O)[O-])ccc1C	484572566	PFHLIVPEORFCFE-MRXNPFEDSA-N	410.499	5.113	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C	485458564	PTPRNHPDUGWTND-UHFFFAOYSA-N	421.520	5.584	30	20	HKED	
Cc1ccc(Sc2ccc(C(=O)N(CC#N)c3ccccc3)cc2[N+](=O)[O-])cc1	497351831	BPJMBKPVRXAFPF-UHFFFAOYSA-N	403.463	5.225	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC(F)F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	497444854	RPGPJNAJFBISKX-SNVBAGLBSA-N	424.350	5.319	30	20	HKED	
COCc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	500878898	RWCTWGROKADDRJ-JOCHJYFZSA-N	419.912	5.464	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	502235790	SLLVAAJFKYHTLI-NRFANRHFSA-N	418.884	5.598	30	20	HKED	
C=CCOc1ccccc1C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C	505135803	OMSZMJCFUWEPBG-OAHLLOKOSA-N	408.523	5.183	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)c1cc2sc(Nc3ccccc3)nc2s1	505175072	QOQJRLXRYFSKAX-UHFFFAOYSA-N	419.535	5.052	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1sc2ccc(C#N)cc2c1C	505734994	ZAOGHDRBQQUKOW-MRXNPFEDSA-N	400.507	5.448	30	20	HKED	
N#C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1	505965607	KAABYYRAVMDXLS-SFHVURJKSA-N	413.399	5.064	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1	508279604	NVILWTKNSAEAJJ-FUUYNRHESA-N	417.509	5.402	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ncccc4F)n3)n2)cc1	509897038	FBCWLQXYZSLIEO-CQSZACIVSA-N	420.494	5.266	30	20	HKED	
CN(CCOc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510007513	VTVQYLRLMCAEJJ-JOCHJYFZSA-N	419.912	5.538	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cc2c(ccc3ccccc32)o1	510514855	NZNFRTXPUPXWOS-MRXNPFEDSA-N	400.503	6.161	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2ccc3ccccc3c2)cc1	510593168	SYDOLWAXQFWOSR-UHFFFAOYSA-N	413.521	5.018	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cccc(C#N)c3C)C2)n1	511354117	AWVRNUSDLCMBPL-GOSISDBHSA-N	417.534	5.019	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C(F)(F)F)c1	512849684	AZTFWEYRGHRZQT-RDTXWAMCSA-N	407.461	5.814	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1cc(C#N)ccc1Cl	513280550	ATDOAKIVIVMBHY-UHFFFAOYSA-N	418.859	5.465	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cnc1C(F)(F)F	513339219	VJJBKYVWQFTQPC-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1	513656312	ZUVKFXDZNMGDOV-QGZVFWFLSA-N	401.516	5.732	30	20	HKED	
N#CCCN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Cc1ccccn1	513729946	UBGXEMRNWAHSOP-UHFFFAOYSA-N	422.872	5.351	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	513875423	AKXACOACIMYZBO-UHFFFAOYSA-N	421.447	5.991	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	515822986	WMYKMZKEGQSCCT-JOCHJYFZSA-N	424.331	5.796	30	20	HKED	
COCCn1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc21	517800730	FCDKXMCTJZTUJK-OAHLLOKOSA-N	409.898	5.041	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-]	518910829	YJCFWHAMSQNQJS-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc2ccccc2[nH]1	520195730	JCMXBJOGYPRITP-YWZLYKJASA-N	407.543	5.476	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1nc2cc(Cl)ccc2s1	521327143	TXFYVROLSRHJKF-ZDUSSCGKSA-N	415.971	5.915	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nccs1	521747761	YNQHHTPDORZXDD-BEFAXECRSA-N	408.552	5.306	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1	522303514	HLAXYSQYLLMIPB-INIZCTEOSA-N	405.523	5.044	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4nccs4)CCCC3)cc2)c1	523909131	IMBRNULKNSXVJY-UHFFFAOYSA-N	404.495	5.398	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2-c2ccccc2C1	524565500	WPTKEBUAJONDTC-SFHVURJKSA-N	413.546	6.153	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1-c1ccccc1	532791540	LQZIGHGLXNVWQP-UHFFFAOYSA-N	412.474	5.010	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1	533045558	SFNLFXDZPPDTMA-QFIPXVFZSA-N	409.942	5.037	30	20	HKED	
Cc1ncc(-c2ccccc2)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	534822681	GUDMHTJAEYLVJU-UHFFFAOYSA-N	412.493	5.004	30	20	HKED	
Cc1cc(C)cc(-n2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2C)c1	537423622	RALCTVDYJHSZFL-GOSISDBHSA-N	404.539	5.444	30	20	HKED	
Cc1cc([C@@H](NCCCC2(C#N)CCOCC2)c2ccccc2Cl)ccc1F	538610025	JFVRGWOCTKREDA-JOCHJYFZSA-N	400.925	5.567	30	20	HKED	
C[C@@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1ccc(-c2cccc(C#N)c2)cc1	541157500	SCYDYWWUJMSVEV-VGOFRKELSA-N	417.534	5.131	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21	542024389	OQBSGUYQWWKOOO-OEOAZWSVSA-N	403.526	5.488	30	20	HKED	
N#CCCCOc1cccc(CNc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1	543989391	HDFQPKRZONBNAB-UHFFFAOYSA-N	400.404	5.186	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1	544742690	NODCJYUHCLNYGN-SFHVURJKSA-N	403.309	5.426	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc2c(c1)CCCC2	546228386	MVNHJLPYQOHRLB-ROUUACIJSA-N	407.583	5.249	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	553319785	BYLATFHCOLSXOJ-HRAATJIYSA-N	409.555	5.631	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1	558621017	JFKSTBHBXYCIMO-UHFFFAOYSA-N	411.427	5.418	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccccc1	564641261	OHEHWZCZOHUBCI-GOSISDBHSA-N	405.420	5.407	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSC1CCCCC1	571799683	MOQGRMGINZVQMM-QFIPXVFZSA-N	416.612	5.764	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@@H](N[C@@H]1CCc3ccc(C#N)cc31)c1ccc(Cl)cc1)C2	577548234	ZHBZSBFVKLXKSP-HFOXQMJASA-N	405.973	5.403	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1	603639030	VGONLZFLGDBCMM-UHFFFAOYSA-N	410.498	6.118	30	20	HKED	
C[C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N(CCC#N)c1ccccc1	603938434	XZKXHHOLTWPYAE-CYBMUJFWSA-N	418.444	5.009	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2csc3c2CCCC3)cc1	604004253	YMYLATHUAPBSGX-UHFFFAOYSA-N	402.519	5.524	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1COCc1ccccc1	608915604	PHBGHMZJQZMRAB-UHFFFAOYSA-N	413.521	5.718	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(C)(C)C)cs1	609304778	VTZLRCHVGUQCGN-OAHLLOKOSA-N	405.523	5.596	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	609402012	SUVVYGXNGRVCGJ-KGLIPLIRSA-N	422.381	6.470	30	20	HKED	
CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@H](C)c1cccnc1	609724626	FNROUNFEDKUKKN-MRXNPFEDSA-N	405.885	5.622	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)CC/C=C\c3ccccc3)s2)cc1	609965697	HQJOWIKIBZARDN-YWEYNIOJSA-N	406.536	5.134	30	20	HKED	
Cc1sc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)c(C#N)c1C	610221077	XTAXWMCZQDFYND-UHFFFAOYSA-N	414.481	5.386	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613403829	GNLAEMVRXNIFMQ-ZDUSSCGKSA-N	420.460	5.374	30	20	HKED	
CSc1c(F)cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	680240026	VDCNBIAGTVCTLX-OCAPTIKFSA-N	422.341	5.281	30	20	HKED	
CC[C@H](C)[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F	683632048	LGEUWTHXRCHAED-SJQPAMGKSA-N	416.328	5.172	30	20	HKED	
N#CCCCOc1cccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1	727685700	XHMVKEBBNCLSKL-JXAWBTAJSA-N	418.493	5.844	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)c1ccc(C(F)(F)F)nc1O	731564353	BMCHNQJSVHAASC-YVMONPNESA-N	409.816	6.084	30	20	HKED	
CC(C)N(C)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	731647701	CAJIOLQTSPBFNC-UHFFFAOYSA-N	415.562	5.947	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	735014997	OPVIAAFLLXMEJM-ZDUSSCGKSA-N	407.297	5.165	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	739155724	TYBWSVSCDMZLCU-FXAWDEMLSA-N	416.452	5.144	30	20	HKED	
C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ncc(-c2ccccc2)o1	741320771	WABVLUVTBKQWSI-MRXNPFEDSA-N	414.417	5.303	30	20	HKED	
O=C(O)CCOc1cccc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)c1	741842085	JWVDTAQWUKDTHX-RUDMXATFSA-N	410.413	5.091	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	742592778	GKYSZUUBRBYRFM-UHFFFAOYSA-N	405.498	5.042	30	20	HKED	
CCOc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	743034571	ADXLAZQQWBFHOJ-UHFFFAOYSA-N	407.470	5.697	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	743094940	FPBDJYQVWRELKB-YADARESESA-N	413.521	5.446	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccccc2OC(C)C)c1	744761307	DSWGELKXBITEHH-UHFFFAOYSA-N	424.570	5.247	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1	749003827	SAPWOOHASVADCB-UHFFFAOYSA-N	415.990	5.156	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1	751004919	PVJYEOKJBXTYGD-RYRKJORJSA-N	415.584	5.120	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccccc2C#N)cc1	751013649	KCSSFJRIACKPCP-UHFFFAOYSA-N	400.463	5.040	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nccn3Cc3ccccc3)cc2F)c1	755954336	PPFYSQYCVMUYJV-UHFFFAOYSA-N	412.468	5.133	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)cc1	758815144	CZYGIJQONQSDTF-UHFFFAOYSA-N	403.507	5.178	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(C(CC)CC)cc1	759051706	QHUUTFLRDJARNF-UHFFFAOYSA-O	421.630	5.609	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2cc(C)ccc2C)c1=S	761832681	YAYBMQKYDIRIDQ-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c2ccccc21	767752851	AQZFOMVZZUPYCT-UHFFFAOYSA-N	410.521	5.446	30	20	HKED	
C[C@H](N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc(OCC#N)cc1	768267423	VZGXXVVIMWULMT-MGPUTAFESA-N	407.514	5.580	30	20	HKED	
COc1ccc(CN(C(=S)Nc2ccccc2C#N)[C@@H]2CCCC[C@H]2C)cc1OC	771542422	XTXCFHNORRWWSY-DYESRHJHSA-N	423.582	5.353	30	20	HKED	
N#C[C@H](COC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)Cc1cccs1	772737298	QUJQBBXKCSVOQB-GFCCVEGCSA-N	422.453	5.430	30	20	HKED	
N#CCSc1ccccc1C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1	774006378	UKGSNFNOXYNPOO-UHFFFAOYSA-N	408.523	5.523	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(CC(C)C)[C@H]2CCCc3cccnc32)c1=S	774616020	YQJZEFGQQUGVOT-IBGZPJMESA-N	423.586	5.248	30	20	HKED	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	775984509	JLLBGHJEIVYNTF-ISJGIBHGSA-N	411.505	5.418	30	20	HKED	
C=CC[C@@H](C(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccccc1	778427961	PGIYVVCFKAFXEM-LJQANCHMSA-N	415.449	5.103	30	20	HKED	
CC[C@@H](C)c1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)NC3CC3)c3ccccc3n2)cc1	780305329	IQHJDWKCZRWLPU-OPAMFIHVSA-N	411.505	5.016	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1	782755286	QWRSZVHKUKHSJM-HYFFOGBASA-N	419.550	5.159	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1OCC	783341534	SOSDZGJGTKWZQJ-INIZCTEOSA-N	408.523	5.248	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cc(C(F)(F)F)cc(Cl)n1	789944259	OTZAKWMLKWOSLI-UHFFFAOYSA-N	409.260	5.226	30	20	HKED	
COc1cccc(Cl)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	790766799	GUIGHAIBTKOHOG-OAHLLOKOSA-N	417.317	5.544	30	20	HKED	
N#C[C@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1c(Cl)cccc1Cl	790965154	GHUCCHIBCTXBQL-NSHDSACASA-N	408.594	5.055	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)NCCCCC(F)(F)F)cc1	794977435	VNBSQIWSCJPZJM-UHFFFAOYSA-N	423.460	5.378	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H](c3ccccn3)C2)cc1Cl	798715745	JAGSAICCWXCHRI-SFHVURJKSA-N	403.869	5.029	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCC(C)CC2)cc1	806172791	TYNKMMKUETTZFH-UHFFFAOYSA-N	409.578	5.311	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc2[nH]ccc2c1	811631630	GZRGBKJWWBSVIL-UHFFFAOYSA-N	418.909	5.450	30	20	HKED	
CC(=NNc1c(C)cccc1C(C)C)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	812232816	MOMUDVAAYSCULK-UHFFFAOYSA-N	412.477	5.291	30	20	HKED	
N#CCOc1ccc(CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)cc1	814770802	GMNBMVUQBREQMV-YBFXNURJSA-N	422.556	5.707	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1	916906862	VYGVCLPYLZSFQA-IURSYISVSA-N	416.864	5.493	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)ccc2c1	916915532	FCDSILRGNVINOW-ZXFWNXIDSA-N	420.468	5.362	30	20	HKED	
Cc1ccc(-c2nc(COC(=O)c3ccc(COc4ccccc4C#N)o3)co2)cc1	917327036	BUYUDIBSTAEINW-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1ccc2ccccc2n1	918481247	HBGLKSSMYNANFH-QGZVFWFLSA-N	418.294	5.137	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)n2)cc1	918488933	HBBQTBVJAZUJLT-XXBNENTESA-N	415.518	5.270	30	20	HKED	
N#Cc1ccc(CCN(Cc2ccc(Cl)cc2)c2ccc3nc(O)[nH]c3c2)cc1	1642105796	LZTUAPKFBCIVJR-UHFFFAOYSA-N	402.885	5.043	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C)c3)CCC2)cc1	1786366542	BSSSPAIOJIAAPO-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(N(CC)CC)cc3)o2)c1C	22003972	XYIYIEFUBQLNOO-UHFFFAOYSA-N	424.570	5.162	30	20	HKED	
C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc(C#N)cc1	26121008	GVWWHSLOYRUICV-QGZVFWFLSA-N	412.518	5.023	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1C#N	27069785	GZMQDIZSCNNZDJ-UHFFFAOYSA-N	409.845	5.060	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	48853397	LMRMCDUYWHFXHO-IBGZPJMESA-N	414.896	5.240	30	20	HKED	
N#Cc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1Cl	61002336	VECOHDRBGMWJES-UHFFFAOYSA-N	402.837	5.789	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)Nc3ccccc3SCCC#N)cs2)cc1	78668409	LOZLAQVSYSMQRB-UHFFFAOYSA-N	407.564	5.559	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(OC)c(F)c1	103975662	IPEGZNQSIMJFGC-UHFFFAOYSA-N	419.909	5.137	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1	107984038	NKMOQKTXFDZJMD-HSZRJFAPSA-N	406.938	5.351	30	20	HKED	
O=C(O)CCCOc1ccc(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)cc1	212107141	UEQOWCQOUZNRDA-XFXZXTDPSA-N	411.454	5.089	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1cccc(Br)c1	303315462	SALDZHSNTQXGSX-ZDUSSCGKSA-N	421.385	5.432	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)c2)cc1	303589806	HGIGEAZZHHNPJJ-JOCHJYFZSA-N	418.880	5.044	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1	303680528	RRIRKGMMWPBCJF-UHFFFAOYSA-N	420.538	5.153	30	20	HKED	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(C[C@@H]1CO1)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	407986736	DVVLSHWEHUZOIF-YTBXHFDUSA-N	414.567	6.533	30	20	HKED	
N#CCCCOc1cccc(NC(=O)C2(Cc3ccccc3Br)CC2)c1	429832401	UIJCQKVGSZFNNH-UHFFFAOYSA-N	413.315	5.093	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccc(OC(F)(F)F)c1	431284692	WDLATBXPUUWSLS-HNAYVOBHSA-N	405.420	5.381	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Br)c(Cl)c1F	435522586	ODBGDDCHQIYQCB-UHFFFAOYSA-N	411.658	5.153	30	20	HKED	
N#CCCCOc1cccc(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1	436061142	SQRMRGHEFUEHPD-UHFFFAOYSA-N	406.379	5.197	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2C)c1	437083101	OEJGYOZAVCOVOX-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
CC[C@@H]1COCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	438530053	AGGDCUZQLYVIRJ-QGZVFWFLSA-N	419.403	5.012	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2ccc(Br)s2)cs1	439847994	HYFFGIGJFXSIMC-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(Cc2ccco2)c2ccccc2C#N)c1	443835680	LAXAAOXVTYBKOS-UHFFFAOYSA-N	419.456	5.122	30	20	HKED	
N#Cc1cnc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(Cl)c1	444431764	HEVAHROXOQTFQH-CYBMUJFWSA-N	421.728	5.049	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)C1(C#N)CCCCC1	460328486	YBDULXCDXBZTCY-UHFFFAOYSA-N	418.516	6.144	30	20	HKED	
C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]1c1cccs1	460583004	JVEAXWZXUUVPSI-HXUWFJFHSA-N	403.555	5.260	30	20	HKED	
Cc1nc(Sc2nnc(-c3cccs3)n2Cc2ccco2)c(Cl)cc1C#N	461970404	YUQITRFNLPYKDM-UHFFFAOYSA-N	413.915	5.028	30	20	HKED	
C=CCN(C(=O)c1c(F)cc(C(F)(F)F)cc1F)c1nc2c(s1)CCCC2	463150971	NXQFWURMQPMFMZ-UHFFFAOYSA-N	402.388	5.152	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)c1cccc(C#N)c1	463764944	INMUKNOTBPHBLH-CQSZACIVSA-N	400.869	5.497	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc2ccccc2c1Br	464485307	UTRHVGAHFDBVHV-UHFFFAOYSA-N	414.368	6.768	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Br)c(F)c2)c2ccccc21	469460684	KBQIAYGXJKFCRM-UHFFFAOYSA-N	400.251	5.099	30	20	HKED	
COCC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(C)o1	477495198	BNMOMTMTHQRJHG-OAQYLSRUSA-N	405.454	5.151	30	20	HKED	
CC(C)(CC(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)C(F)(F)F	480745812	OWJOAWGUJHKCFN-LLVKDONJSA-N	411.264	5.283	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1C(=O)OC(C)(C)C	480751824	WCYXNGGDOIMTEG-UHFFFAOYSA-N	412.534	5.030	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccs3)oc2C)nnc1-c1cccc(OC)c1	481358730	IUVUTLBHUACJPF-UHFFFAOYSA-N	424.551	5.457	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(F)c(C#N)c2)nc1-c1ccccc1	483632053	CHZAQRMVYZWRPJ-HXUWFJFHSA-N	418.472	5.845	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	484142105	KOGZYXMESPDPNX-YVEFUNNKSA-N	411.424	5.645	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	488289097	AQSAOJVPKUPYNL-KBXCAEBGSA-N	403.935	5.101	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	488928723	HAACHXGXMYBBLD-QGZVFWFLSA-N	408.889	5.648	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1	490624902	WJHMMGPTTIATQM-XMMPIXPASA-N	424.504	5.392	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccccc1	490752737	ANUCUEQPZOSDSJ-IEBWSBKVSA-N	400.404	5.116	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOC3(CCC3)C2)cc1Cl	494197619	HEBVEFLWKGVNBZ-UYAOXDASSA-N	409.917	5.219	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C1CC1	498264613	IRWOTFJHNCTLHU-UHFFFAOYSA-N	400.482	5.044	30	20	HKED	
CCN(C(=O)c1csc(-c2cc(Br)cs2)n1)c1ccc(C#N)cc1	510411636	FPGGZGGUTAKHIK-UHFFFAOYSA-N	418.341	5.172	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	515626283	XYINFFGEOFUEEU-AWEZNQCLSA-N	420.559	5.513	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(-c2ccncc2)cs1	516332047	NXNWDSSTXBKAQS-MRXNPFEDSA-N	415.499	5.316	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(F)ccc1Br	518168165	DFHYKFGODBQOLM-GFCCVEGCSA-N	422.323	5.162	30	20	HKED	
Cc1ccc(CCC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1	520938350	VNFXRGNIRIGBDE-HXUWFJFHSA-N	421.610	6.266	30	20	HKED	
C=CCCCN(C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	523013974	VHZBBGIQJGPHEY-UHFFFAOYSA-N	420.435	5.779	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1	524673660	FDMJYJZZDPZTPN-CVEARBPZSA-N	401.329	5.197	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccc(C#N)cn1	525130815	MXYBANQZRFQZLC-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1F	525650157	JICRKUOBMFXICL-HNNXBMFYSA-N	413.518	5.314	30	20	HKED	
C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	525748650	ULMPBWGHOBMERX-AWEZNQCLSA-N	413.315	5.098	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2CCC(F)(F)F)ccc1OCC(F)(F)F	534641356	YEOZBNGAAORLLO-UHFFFAOYSA-N	416.321	5.247	30	20	HKED	
C=CCCOCCCCC(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C	538301871	PREFIYOLUSLRHF-IFXJQAMLSA-N	412.393	5.111	30	20	HKED	
C=CCn1c(SCC2(C#N)CC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	538659313	HHBDZJQISWUETE-UHFFFAOYSA-N	411.527	5.154	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)nn1CCC#N	540815046	TWKMGPDFTKHPFV-DEOSSOPVSA-N	409.493	5.170	30	20	HKED	
C=CCC[C@H](NCc1ncc(Br)cc1Br)c1ccccc1	544407687	IUGGHPCHZBLRMF-INIZCTEOSA-N	410.153	5.404	30	20	HKED	
Cc1ccccc1C(NCC(=O)Nc1ccccc1SCC#N)c1ccccc1C	544845738	KARNHTZBYBSHBD-UHFFFAOYSA-N	415.562	5.237	30	20	HKED	
CO[C@H](c1ccc(F)cc1)c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1	547217652	QSEAJCQUXIPPFJ-JOCHJYFZSA-N	415.424	5.062	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	554831346	JTIRVBXUHBZMGC-UHFFFAOYSA-N	421.525	6.332	30	20	HKED	
O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@@H]1CC[C@H](C(F)(F)F)C1	560621505	RCFFASKSVPFMRC-SFYZADRCSA-N	415.284	5.134	30	20	HKED	
FC(F)Oc1ccc([C@@H](NCc2ccc(C(F)(F)F)cn2)C(F)(F)F)cc1	573391405	HNAKHWRFKIANGH-CYBMUJFWSA-N	400.269	5.095	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NCC1(C#N)CC1	581644487	CDIPVBBERKJGOG-UHFFFAOYSA-N	405.477	5.157	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2cc(C(F)(F)F)ccc2Br)cc1	581849483	TVKGASCHTRSWGC-MRXNPFEDSA-N	411.221	5.025	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	588817073	KHKCUICOAJCDAW-UHFFFAOYSA-N	413.924	5.331	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3nc4ccccc4cc3Cl)cn2)cc1	589381337	QISZNCPQCPPENH-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1Cl	591713999	WFELSYIZYBIGNI-UHFFFAOYSA-N	418.909	5.404	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc2oc3ccccc3c2c1	598775381	RLNLXHFAYRVQIW-KRWDZBQOSA-N	413.477	5.342	30	20	HKED	
N#Cc1cc(F)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c(F)c1	602754700	AEHNLTINGYKHTB-HXUWFJFHSA-N	413.786	5.400	30	20	HKED	
CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1	603705763	UBWDIVXZMXNAIU-QHCPKHFHSA-N	419.569	5.138	30	20	HKED	
Cc1cc(C)c2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2c1	608801812	BGYCVJYEDQCJMT-UHFFFAOYSA-N	403.463	5.209	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609061986	PFZNSWSKRQFVIG-UHFFFAOYSA-N	420.896	5.425	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2F)c1	609106671	OUWAQQMRXIVFIV-UHFFFAOYSA-N	414.358	5.547	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1	609509048	LGJZLOBILAZOLB-UHFFFAOYSA-N	421.500	5.217	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1cccc2cccnc12	609692005	SZUNGUKZZZVUBJ-UHFFFAOYSA-N	415.474	5.008	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	610157274	SQOJJNFHAQNEEP-LSDHHAIUSA-N	406.429	5.333	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2ccccc2CN2CCCCCC2)c(Cl)c1	611094612	PSYBNJDELPOKAJ-UHFFFAOYSA-N	416.352	5.171	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1SCc1ccco1)c1cccc(Cl)c1Cl	611249481	IBQJAXNGHJTUNO-QGZVFWFLSA-N	417.317	5.873	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	611548450	XNHHHWJFDONWOU-YJBOKZPZSA-N	402.416	5.348	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(-c2cccc(C#N)c2)cc1	618826723	WPGAUWGRFGNCEJ-SSOJOUAXSA-N	406.489	5.145	30	20	HKED	
N#C[C@H](C(=O)c1ncccc1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1	680451606	IGSMAAIYJCMYPH-SECBINFHSA-N	415.318	5.219	30	20	HKED	
COc1ccccc1/C=C/C=C/C(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1	726742395	QAFXKIVPHDOQLF-MHUSLGGSSA-N	413.473	5.165	30	20	HKED	
C[C@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(C#N)c1	727635780	ONJCGZDDWTXMFK-LBPRGKRZSA-N	417.317	5.835	30	20	HKED	
CC(C)[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	728766901	OTTRZHOJAPECPG-RBUKOAKNSA-N	416.493	5.479	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(OCc3occc3C(=O)O)cc2)oc2ccccc12	730949044	QEGJXOCXUBRHNC-DHZHZOJOSA-N	402.402	5.508	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccc4ccccc4c3)cc2)c1	731542099	SZIAQMJIVYHWBX-RUZDIDTESA-N	423.472	5.359	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](c3ccccc3)C3CCOCC3)c2)c1	734508826	JUJDUIPMXLUSQX-HHHXNRCGSA-N	412.533	5.395	30	20	HKED	
COc1cccc(NC(=O)/C(=C/c2cnc(C(C)(C)C)s2)C(=O)c2ccccc2)c1	736433679	ZKHMSOKOXADTBA-XSFVSMFZSA-N	420.534	5.354	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Nc2cccc(OC)c2)c1	736562207	WMEJXJWEKADIRN-FQEVSTJZSA-N	415.493	5.050	30	20	HKED	
C=CC[C@@H](NC(=O)c1csc(-c2ccc(Br)s2)n1)c1ccncc1	737855574	YXNZSTORMXQKEE-GFCCVEGCSA-N	420.357	5.076	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)c1	739023341	MSLBRZDCTHFKML-KWOQKUFVSA-N	405.542	5.359	30	20	HKED	
O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)COC2	742436120	GHYAGTNCTZLBGS-XLUWADSXSA-N	405.381	5.453	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)s1	750683336	BMIJKLAJIFXANC-WCBMZHEXSA-N	401.702	5.159	30	20	HKED	
Cc1sc([C@H](C)NC(=O)c2ccccc2OCC#N)nc1-c1ccc(Cl)cc1	755623925	ZDKFBFBSTYBFNM-ZDUSSCGKSA-N	411.914	5.165	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc3c(s2)CCC3)cs1	764442302	NIEBTYMBMPXZAD-FLIBITNWSA-N	408.548	5.582	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1	765351390	RJJDWDKDUNLEKU-SJORKVTESA-N	400.906	5.186	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1O	765493583	WBFPAKSOZOAVBN-SFHVURJKSA-N	410.477	5.077	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)c1	770101595	YFHNRFJUFNZTBL-IBGZPJMESA-N	417.534	5.047	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCOc3c(Br)cccc32)c1	772986398	WSSKEJRQBZJAHH-JXFKEZNVSA-N	415.331	5.134	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3oc(C)c(C)c3c2)ccc1OC	775881032	VGSOGFWDDUOPAI-GOSISDBHSA-N	407.470	5.061	30	20	HKED	
O=C(/C=C\c1cc(Br)c(O)c(Br)c1)c1cccc(F)c1F	776267831	FWMVWCQNPNECPK-PLNGDYQASA-N	418.031	5.092	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OC1CCCC1	780671967	XXMCXFKWTQJAJR-IAGOWNOFSA-N	423.513	5.190	30	20	HKED	
CC(C)(C)OC(=O)NCCCCCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	781450159	FRSIEDXNOZVONP-AWEZNQCLSA-N	421.950	5.211	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1(C)C	783077326	OUFFVNLYEVUSAJ-PVAVHDDUSA-N	400.931	5.281	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nc2cc(Cl)ccc2s1	783358096	KPKMHMAGHYRUGF-QGZVFWFLSA-N	408.910	5.278	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOc3c(F)cccc32)cc1	785836810	GYFFSBXUALXHMY-UNMCSNQZSA-N	401.441	5.126	30	20	HKED	
COc1ccc(/C=C2/N=C(S[C@@H](C)CCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1	787488728	VGIXIYWZWCPYCJ-LUJYGJGBSA-N	419.550	5.481	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)n1	796708287	UJXQLPFWQIHAGP-LLVKDONJSA-N	403.479	5.007	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2nc3cc(Cl)ccc3s2)s1	797569814	XQBRRGUHOCVPDN-GFCCVEGCSA-N	403.960	5.513	30	20	HKED	
C[C@@H](O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1F	804800187	IPXDWLKHNLZMAB-OAHLLOKOSA-N	406.482	5.295	30	20	HKED	
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)C[C@@H](C(=O)O)c2ccccc21	806561687	YEJXZNBPYQKWBS-FIIODCPWSA-N	405.431	5.162	30	20	HKED	
COc1cc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)ccc1OCc1ccccc1	806563019	QWVHPKIHAVDUQF-DUBROFONSA-N	414.457	5.112	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C2=CCCC2)cc1	810530164	XGSLYEPIQGQIQF-GOSISDBHSA-N	408.885	5.186	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCc3ccc(C#N)cc3)c3c(C)noc3n2)c(C)s1	813302256	YZLFXSJOBQSCHU-UHFFFAOYSA-N	403.463	5.105	30	20	HKED	
N#CC1(CC(=O)Oc2ccccc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1	815983037	OKFCDLMZUMEMSW-UHFFFAOYSA-N	422.790	5.210	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1F	863939523	BPQAEHNEPLNPEL-CQSZACIVSA-N	422.843	5.202	30	20	HKED	
N#C[C@@H](C(=O)COc1c(Cl)cccc1Cl)c1nc(-c2ccccc2)cs1	915102478	UHHULFJFVXWMDG-ZDUSSCGKSA-N	403.290	5.372	30	20	HKED	
Cc1[nH]c2c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cccc2c1C	920806808	QESYVIDRHITYFP-OAHLLOKOSA-N	407.445	5.677	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1	1786104502	WIYQDFBAQPQGIP-UHFFFAOYSA-N	406.526	5.115	30	20	HKED	
C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1	1791246180	UOVOLDNKAVLPML-ZPYFUIHZSA-N	419.912	5.092	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCCC3(F)F)CCC2)cc1	1791250502	RLUREGNYAQMDKG-OPAMFIHVSA-N	422.491	5.250	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1	1825874933	DHHLPQFGMVAEBF-JOCHJYFZSA-N	414.590	5.122	30	20	HKED	
C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1	1831576935	JJDFZVCUVKDUBW-HSZRJFAPSA-N	416.650	5.406	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc2ccccc2o1	54735718	DIZUMOYRHSNGGK-HNNXBMFYSA-N	419.437	5.079	30	20	HKED	
C=CCn1c(SCc2csc(C3CCCC3)n2)nnc1-c1ccc(OC)cc1	195735027	VWLMMKYBLHMQTH-UHFFFAOYSA-N	412.584	5.546	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NCCc2c(Cl)cccc2Cl)c1	303164560	QBQJOKMKUSRYFO-UHFFFAOYSA-N	415.276	5.010	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1[C@H](C)c1ccccc1	303291039	AWACZBDMTSHAOI-PKOBYXMFSA-N	417.578	6.218	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccccc1Cl	303374098	KUGOXFOAEDKMPV-MRXNPFEDSA-N	401.963	5.052	30	20	HKED	
CC(C)(c1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1)C(F)(F)F	429675726	OJRAEOIRJQHZDU-PMACEKPBSA-N	415.459	5.830	30	20	HKED	
Cc1cc(CN(C)C(=O)c2cccc(SCC#N)c2)cc(C)c1OCC(F)(F)F	429818426	DHWZTKJAQWLRSF-UHFFFAOYSA-N	422.472	5.132	30	20	HKED	
COc1ccccc1-c1nnc(S[C@H]2CC[C@H](C#N)C2)n1-c1ccc(Cl)cc1	430146041	IFSQHXJRTGYPMA-YOEHRIQHSA-N	410.930	5.381	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc3sc(N4CCCC4)nc3s2)s1	430589392	AHKSQDNFUNEGST-LLVKDONJSA-N	416.597	5.202	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3c(Cl)cncc3Cl)c2)cc1	431828568	RESULBXJDBNRNJ-UHFFFAOYSA-N	412.276	5.286	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	432628808	BAQYKGFDXTYLPK-IBGZPJMESA-N	417.431	5.155	30	20	HKED	
O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N[C@H](c1cc(F)ccc1F)C(F)F	433634897	JJWXPGNZEUVQAE-KGLIPLIRSA-N	412.280	5.013	30	20	HKED	
CCCc1c(NC(=O)N(CC)[C@@H](CC)c2ccncc2)cnn1-c1cccc(C#N)c1	439679335	VGUYOTNQCYNQQQ-QFIPXVFZSA-N	416.529	5.097	30	20	HKED	
C[C@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1	441262313	PROWUFBAZKJAEJ-SCLBCKFNSA-N	407.461	5.050	30	20	HKED	
CN(C)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(C(F)(F)F)c1	444036645	LWPWMXGRBMNGEM-UHFFFAOYSA-N	414.431	5.282	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1c(C)noc1C1CC1	444838617	RLNGYDYUTXTQCE-UHFFFAOYSA-N	402.454	5.264	30	20	HKED	
CC[C@@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	446108551	MYKFUCXQYBCVIQ-SNVBAGLBSA-N	400.319	5.201	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1	447380796	FIKMVEINWCAEDZ-FXAWDEMLSA-N	403.551	5.631	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	447724794	YJVSQDVGWWZPKC-MQIPJXDCSA-N	421.312	5.090	30	20	HKED	
N#CCCCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	461772345	BUEFGODVCPYDKU-UHFFFAOYSA-N	408.767	5.442	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1cc(C(F)(F)F)ccn1	464418548	SEQKNFSJFOABNT-CYBMUJFWSA-N	407.804	5.367	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Nc1ncccc1OCCCC#N	466610808	ZKQZFDBVNFTMES-JKSUJKDBSA-N	400.910	5.073	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(CCc1ccccc1)Cc1ccccc1	466615825	ATIJFAOIUSEXFV-UHFFFAOYSA-N	414.509	5.041	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(NC(C)=O)c1C)c1ccc(C(F)(F)F)cc1	467965239	YBWCXGJLYYCLSY-HXUWFJFHSA-N	404.432	5.410	30	20	HKED	
CCC1(c2ccc(Cl)cc2)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1	470872725	VAALLDSLLFCGIC-UHFFFAOYSA-N	406.917	5.205	30	20	HKED	
Cc1nc2cc(C(=O)N(C)c3cc(Cl)ccc3C#N)ccc2n1Cc1ccsc1	472558293	HFKBOVQEYXRDSO-UHFFFAOYSA-N	420.925	5.256	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)n1	474422458	UGZVVDOCDUMLNY-CYBMUJFWSA-N	421.469	5.899	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1occc1COc1cccc(C#N)c1	475916891	PMDUYDNOYUJNQC-INIZCTEOSA-N	423.538	5.452	30	20	HKED	
CC(C)n1c([C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)nc2ccccc21	476139284	GVJGINHYONPAGD-QFIPXVFZSA-N	400.526	5.396	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C[C@@H](CC#N)c2ccccc2)C1	476360119	VMTXZTPZDSYRNR-BSIFCXSSSA-N	400.444	5.702	30	20	HKED	
C=C(C)CN(C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	477558820	JGDYYVMGLKOOPT-UHFFFAOYSA-N	406.408	5.389	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(F)c(F)c1	480604938	GIJSJPDNSDFARJ-FQEVSTJZSA-N	411.408	5.249	30	20	HKED	
Cc1ccc(N[C@H]2CCCCc3cc(C#N)ccc32)cc1NC(=O)CN1CCCCC1	482000149	RORXBGLLNHOOON-DEOSSOPVSA-N	416.569	5.171	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1cccc(C(F)(F)F)c1	483215717	IYBVEARXEKMASX-IBGZPJMESA-N	420.394	5.238	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1F	483351805	MCERBOUYZAIQBZ-UHFFFAOYSA-N	408.454	5.229	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1ccccc1	483796219	CTWCKVIPEBFKNC-ZDUSSCGKSA-N	411.221	5.494	30	20	HKED	
C=CCC[C@H](NC(=O)Cc1c(C)nn(C(C)C)c1C)c1ccc(C(F)(F)F)cc1	486782175	WQSQTTNNPOOZTN-FQEVSTJZSA-N	407.480	5.466	30	20	HKED	
CC(C)CCn1ncc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)c1C(C)C	486914377	VIJDVDWZGOWIRZ-QGZVFWFLSA-N	413.591	5.948	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)cc3)s2)c(C(F)(F)F)c1	487317059	BAMFUPUEUUMNNU-UHFFFAOYSA-N	405.376	5.016	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccccc1	487350712	FBUHWDVDFICKCR-KRWDZBQOSA-N	410.367	5.054	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1	487370082	IXJAMTKHDIESHH-SANMLTNESA-N	411.549	5.484	30	20	HKED	
N#CC1(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)CCCC1	488319537	XCTVXFVSEVTDIJ-UHFFFAOYSA-N	409.287	5.015	30	20	HKED	
CN(Cc1cccc2[nH]ccc12)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	494779185	AHGVHHFQJMXTNR-UHFFFAOYSA-N	414.440	5.635	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nc1	497443758	OLCXOSRYBROHOF-CYBMUJFWSA-N	413.449	5.151	30	20	HKED	
CCN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1ccccn1	497899710	PTOAKXLPYGGGII-XMMPIXPASA-N	403.913	5.177	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1	498786609	YRWXMXJQUPKUFH-UHFFFAOYSA-N	403.916	5.460	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N	506224043	CIQMSEAFNHFTJR-OAHLLOKOSA-N	416.955	5.225	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)n1	507718766	PYXIYMAAAYGZPO-UHFFFAOYSA-N	409.511	5.284	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2cccs2)n1	508872860	SJMOZRHTUPLYTB-UHFFFAOYSA-N	410.593	5.532	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(Nc3ccccc3)c2)o1	509913303	UPSGHMODSVXCPA-UHFFFAOYSA-N	409.445	5.726	30	20	HKED	
FC(F)Oc1ccc([C@H](NCc2nc(C(F)(F)F)cs2)C(F)(F)F)cc1	510419121	CZAMMVKUEPNKQZ-NSHDSACASA-N	406.298	5.157	30	20	HKED	
CCCN(CC)C(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	511809159	QBULHPHSZLOVGJ-UHFFFAOYSA-N	423.582	5.403	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1CCCN(C2CCC2)C1	512846849	RHLRCANCLGUKAF-AZUAARDMSA-N	418.541	5.125	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(-c2ccncc2)cs1	512958697	MQYRPAPOPQXDJA-LBPRGKRZSA-N	424.457	5.097	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c1	513295292	FWOPNEILILISCR-UHFFFAOYSA-N	405.228	5.772	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2nc(-c3ccco3)cs2)c1	513468115	DPPNUHGGCPDVMD-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4cccc(Cl)c4)CC3)c2)c1	515449646	ZHBXYBMBNANZNM-UHFFFAOYSA-N	415.880	5.134	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	515539270	POVMJNYGSVJAGY-HNNXBMFYSA-N	422.460	5.277	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1	518141480	UEMYXUDNIQBYPZ-HNNXBMFYSA-N	424.501	5.089	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1	519401236	PAQLRNKCTIKBAM-LLVKDONJSA-N	401.340	5.046	30	20	HKED	
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519988014	AXNFIVZYRXNUKY-UHFFFAOYSA-N	415.449	5.133	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	520924427	WDGZIKBRTNLINE-OLZOCXBDSA-N	409.338	5.794	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1ncc(-c2ccccc2)o1	520928751	GBWJLTNPEHULSK-QGZVFWFLSA-N	405.523	5.697	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)c(C)c2c1	521259753	QHLMGMUSXKLETA-ZBFHGGJFSA-N	423.538	5.884	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1	524436872	OHKWZYGPNZICAD-SFHVURJKSA-N	417.412	5.271	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C[C@@H]3CCOc4ccccc43)c2)cc1	524555680	LGXZVMMQXXLHCM-NRFANRHFSA-N	412.489	5.227	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	525104290	VDYIWJILLMFHBN-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc4nc([C@H]5CCCO5)[nH]c4c3)c2)cc1	532191452	YDSPEXOVEYLEQC-HSZRJFAPSA-N	423.476	5.282	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C)Sc2ccccc21	533013075	MJHSLQHDHXOQMV-IAGOWNOFSA-N	411.596	5.268	30	20	HKED	
C[C@@H](NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccc(C#N)cc1	538396831	DJMLFKPNMJZSAI-HXUWFJFHSA-N	413.521	5.207	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)Nc3cccc(OCCCC#N)c3)s2)cc1	538527521	NCUKNYOLDFHNCQ-INIZCTEOSA-N	407.539	5.983	30	20	HKED	
N#CCCn1ccc(NC(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)n1	539010788	OSBZPUHUUNOPII-SJLPKXTDSA-N	419.451	5.054	30	20	HKED	
CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	539447429	ZMVYVEBGECJQMS-UHFFFAOYSA-N	415.493	5.156	30	20	HKED	
COc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c12	542928937	YPUMPAWPWBUWPW-KRWDZBQOSA-N	409.489	5.135	30	20	HKED	
Cc1nc(C(F)(F)F)c(CNc2cccc(OCc3cccc(C#N)c3)c2)s1	545342358	FTBVOXNNRHEYGT-UHFFFAOYSA-N	403.429	5.533	30	20	HKED	
CC1CC(C#N)(C(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)C1	547727325	JZVZTJKOKDYAOC-UHFFFAOYSA-N	404.923	5.160	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(C#N)c(Cl)c1	548612350	LCRNDRFHKNFCJF-UHFFFAOYSA-N	407.901	5.352	30	20	HKED	
N#CCCC[C@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccccc1	556907873	CLHZKFJBOABRQT-IBGZPJMESA-N	400.313	5.099	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	558713951	DLSFUJOUACSRFB-XOBRGWDASA-N	406.917	5.468	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4c5c(cccc35)CC4)CC2)c(F)c1	566906649	UYFZEMVYYZNDIL-UHFFFAOYSA-N	415.468	5.024	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(F)cc1N1CCCCC1	569861867	VGFLCFSUAWSYIS-AVRDEDQJSA-N	424.495	5.259	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccoc1C(F)(F)F	572895255	NUYVLLHJRMHVMA-UHFFFAOYSA-N	403.225	5.213	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1	573553051	QDFXKTJNWCFSRO-IBGZPJMESA-N	423.925	5.211	30	20	HKED	
CC1=C(c2ccco2)CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1	576507733	IDVWGLXHJAOUCU-UHFFFAOYSA-N	400.438	5.050	30	20	HKED	
N#Cc1cc(-c2nc(CCc3c(Cl)cccc3Cl)no2)cnc1C(F)(F)F	578148626	RIWNVOIWYTXBGR-UHFFFAOYSA-N	413.186	5.114	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]2CCCC[C@@H]12	580114651	CTJLRHDQCFHVFP-RVSNTGDXSA-N	403.526	5.374	30	20	HKED	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	581207927	JJPTYDHHRISIOV-PGRDOPGGSA-N	421.972	5.223	30	20	HKED	
COc1ccc(-c2ocnc2C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	584018270	ALUXOEGNJHQHBE-SFHVURJKSA-N	415.474	5.272	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2C)o1	589275272	MVQAQHFCVGZTQU-INIZCTEOSA-N	413.568	5.110	30	20	HKED	
C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1Cl	589633227	DDSLZFIZGQPKBQ-JOCHJYFZSA-N	405.885	5.067	30	20	HKED	
CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604500141	YWBHDTPWPYRDCY-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc2ccccc21	609166437	BQCMLEWSQYSUOJ-UHFFFAOYSA-N	402.841	5.258	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	609429185	KIRSBSYKPUDDGA-INIZCTEOSA-N	420.559	5.453	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)cc2)nc1	609503181	JFWNYRGUXPUVTD-UYAOXDASSA-N	423.394	5.050	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1ccccc1Br	609590984	IGBAEQKJVDVOEH-ZVDOUQERSA-N	405.295	5.087	30	20	HKED	
Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	609810745	BHRIXWWNUSWJIB-KNQAVFIVSA-N	407.583	6.396	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1	609960296	NNLQFALJLFDUKZ-CQSZACIVSA-N	416.472	5.070	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SCc3nnc(-c4ccc(C#N)cc4)o3)o2)cc1	610217255	NPKJRGLSVBIYCW-UHFFFAOYSA-N	417.494	5.248	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(Br)s1	610753864	HUIHLLXRSSBUSY-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(C)CC1	611393399	JMRKEKNLQHGBQK-HOOCXSQJSA-N	400.526	5.574	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)nc(C)n1	613296441	FLVDJXXZVHBAKK-HNNXBMFYSA-N	402.306	5.619	30	20	HKED	
N#C[C@H](C(=O)c1cc2sccc2s1)c1nc2cc(C(F)(F)F)ccc2s1	617898179	ZNHOAVBOXLUHER-SECBINFHSA-N	408.451	6.081	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)NCc1ccc(C#N)c(Cl)c1	619828231	PJFKQQZZBMIZLF-UHFFFAOYSA-N	420.738	5.094	30	20	HKED	
N#C[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1	619864087	PGZWFVXGBVDNJC-RDJZCZTQSA-N	416.959	5.196	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)Nc1ccc(OCC(F)(F)C(F)F)nc1	622355289	XKWSTICUWAXLCI-UHFFFAOYSA-N	416.337	5.058	30	20	HKED	
C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F	675738626	QOGQTYNWSZBIGA-WYUUTHIRSA-N	405.329	5.848	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1[C@H](C)C1CC1	679092618	YHMUPMCZWXNNHW-BXUZGUMPSA-N	418.444	5.281	30	20	HKED	
O=C(Nc1cccc(C=NNc2ccc(OC(F)F)cc2)c1)c1ccccc1Cl	726428430	ARJQAVVFFHHZNH-UHFFFAOYSA-N	415.827	5.640	30	20	HKED	
Cc1nc(-c2ccc(CNC(=S)Nc3ccc(C#N)c(Cl)c3)s2)cs1	726450234	UIEMSSZHCRIHET-UHFFFAOYSA-N	404.973	5.192	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1	726481135	PTHCTOLHVFWNTF-HSZRJFAPSA-N	404.510	5.086	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3cccc(O[C@H](C)C(=O)O)c3)s2)cc1	727653885	BBEXJIGGCIJDRY-HMWXGYMHSA-N	407.491	5.175	30	20	HKED	
N#Cc1ccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc1	730437071	WBODZSHYNWKWMY-RVDMUPIBSA-N	421.319	5.657	30	20	HKED	
CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1OC	730579318	HRUSGSOHPDVBQE-IZZDOVSWSA-N	413.901	5.160	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	730954738	JGTPHMSJWARJGI-UHFFFAOYSA-N	405.470	5.501	30	20	HKED	
N#C[C@@H](C(=O)CCCCCc1cccs1)C(=O)Nc1ccc(Cl)cc1Cl	731546736	RLUVNTUSDXZFNN-HNNXBMFYSA-N	409.338	5.505	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C4SCCS4)c3)cc2)nc1	731962843	CEDNPOPZFMZSJV-UHFFFAOYSA-N	419.531	5.476	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1	733807992	XYAYOEYVLJWCDW-GOSISDBHSA-N	406.313	5.016	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCOc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	735597140	XOXMSGIXINBULJ-DZGCQCFKSA-N	410.445	5.221	30	20	HKED	
Cc1ccc(Oc2ccc(OCC(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)cc1	735791095	UFUOFIGCSMKYHC-OAQYLSRUSA-N	411.461	5.227	30	20	HKED	
C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ncc(-c2ccccc2)o1	741320769	WABVLUVTBKQWSI-INIZCTEOSA-N	414.417	5.303	30	20	HKED	
Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)o2)cc1	741852429	NYXVEBSHXVVYLU-XYOKQWHBSA-N	416.445	5.190	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(-c2c(F)cccc2F)cs1	744073239	BNVXLOGYJKUXNT-KWCYVHTRSA-N	416.399	5.346	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1OCC	746686472	GHZUUCIBPQEYOR-BQYQJAHWSA-N	421.335	5.310	30	20	HKED	
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	747108097	LSFGLCJHAOOZSZ-GOSISDBHSA-N	414.864	5.043	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1OC(F)F	747123089	XYLTUSTYFHCPEW-WAPJZHGLSA-N	414.360	5.151	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccccc2)o1	749025368	DHDFDNIIBSTYOU-HNNXBMFYSA-N	424.840	5.004	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H]1c1ccccc1Br)c1ccncc1	756040393	SZWJZNWRSZFDBV-OALUTQOASA-N	400.320	5.008	30	20	HKED	
CCCCOc1ccc(C=NO[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC	758411557	YUFOFWVXYURHRL-GOSISDBHSA-N	423.513	5.653	30	20	HKED	
Cc1nc([C@H](C)N2CCO[C@@H](c3cccc(C#N)c3)C2)oc1-c1ccc(Cl)cc1	761762827	WLYXEUICZLZKGD-HRAATJIYSA-N	407.901	5.310	30	20	HKED	
C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccccc1S[C@H](C)CC#N	762534581	VUVWZWVUWLCVGZ-KGLIPLIRSA-N	413.593	5.810	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)C1CCN(C(=O)OC(C)(C)C)CC1	766237206	LOENIOYGNXMYSB-XLIONFOSSA-N	421.541	5.084	30	20	HKED	
CCCN(C(=O)/C=C\c1ccccc1C#N)[C@H](c1cccnc1)c1ccc(F)c(C)c1	776965965	DUPNLOCBRNKTJO-YYFQYTQESA-N	413.496	5.442	30	20	HKED	
C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1	778416239	GIONRUKMAUXEBY-IBGZPJMESA-N	424.497	5.370	30	20	HKED	
CC[C@H](CC#N)OC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12	787087008	WRJFOLIWYKWLFK-CQSZACIVSA-N	403.360	5.066	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cnn(C(C)(C)C)c3C)c2)cc1	787186872	SNIOWKAHIKDWED-ZROIWOOFSA-N	417.509	5.104	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)n1	788589820	WJNZAMQYWBRZRC-UHFFFAOYSA-N	408.889	5.016	30	20	HKED	
COc1cccc2cc(CNc3nnc(SCc4ccc(C#N)cc4)s3)oc12	790518634	QBFAZGYTTSJSMI-UHFFFAOYSA-N	408.508	5.069	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)COc2ccc(OCc3ccccc3)cc2)s1	797568621	UJRDZVYMUDMOAR-FQEVSTJZSA-N	420.534	5.275	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCC(=O)c2cc(Cl)sc2Cl)s1	797569566	SGGGXTOCXMMGJH-JTQLQIEISA-N	415.367	5.648	30	20	HKED	
O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)[C@H](F)c1ccc(C(F)(F)F)cc1	801953783	WRUPIOUTMNNTFK-MRXNPFEDSA-N	420.328	5.233	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)sc2cc(F)ccc12	805856643	ZYEYXDQKDJKVHZ-GOSISDBHSA-N	402.450	5.463	30	20	HKED	
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)C[C@H](C(=O)O)c2ccccc21	806561689	YEJXZNBPYQKWBS-RNUYOQPASA-N	405.431	5.162	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccc(F)c(Br)c1	813061274	FYNUYTLIRORJJW-AAEUAGOBSA-N	401.235	5.099	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1	813215409	XZBGLQAMLQBOCJ-HUUCEWRRSA-N	400.322	5.489	30	20	HKED	
Cc1c(-c2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)no2)sc2ccc(C#N)cc12	813892186	SFOADUIHKRMVMD-HNNXBMFYSA-N	410.499	5.203	30	20	HKED	
Cc1[nH]c2c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cccc2c1C	920806807	QESYVIDRHITYFP-HNNXBMFYSA-N	407.445	5.677	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cc4F)cc3)CCC2)C1	1785942233	VENYMXSEHXMGPZ-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1	1786103319	WMKPJDUOVIBGEG-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccsc3)CCC2)cc1	1789451269	DNPVBJOVNIKZQS-NRFANRHFSA-N	408.567	5.193	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1	1791300538	VVRTXCBBFOZMOW-UHFFFAOYSA-N	424.447	5.392	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CCC3)CCC2)cc1	1791727941	LMMLPLLLZLLJEH-UHFFFAOYSA-N	420.475	5.047	30	20	HKED	
C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1	1830979507	DVLVVMLCTAJINJ-FQEVSTJZSA-N	410.583	5.019	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c(F)c1	10612947	KLIXFEPDWVHHRZ-UHFFFAOYSA-N	418.472	5.436	30	20	HKED	
C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1OC(F)F	15336684	IZXWUFZUEQYHMJ-OAHLLOKOSA-N	408.404	5.233	30	20	HKED	
CCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC	25923345	DIOHEWQVDJWBLC-UHFFFAOYSA-N	404.491	5.369	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c1	32291827	RFTJWDNEKFNYQY-UHFFFAOYSA-N	421.294	5.081	30	20	HKED	
COCCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	41404571	MHJJQBXJDJTEOZ-UHFFFAOYSA-N	418.518	5.128	30	20	HKED	
COCc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	41538186	AOTQBZIUNYGXCB-INIZCTEOSA-N	417.317	5.753	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47580604	KQCYFKURLHNGTI-UHFFFAOYSA-N	403.457	5.135	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1	57088879	ONSHYUJPXHQLCA-UHFFFAOYSA-N	402.841	5.441	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)o2)cc1	57865529	CLIZZQCWHDTTKS-GFCCVEGCSA-N	404.417	5.492	30	20	HKED	
N#Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCC(F)(F)F	60461598	KBZKOQDTNMUCOP-UHFFFAOYSA-N	410.395	5.270	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)ccc1OC(F)F	63874733	FQFOLMFJCZOBRY-ZZXKWVIFSA-N	416.392	5.516	30	20	HKED	
CC(C)Oc1cccc(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	66025114	CSWWXHIQOLELAY-UHFFFAOYSA-N	402.519	5.354	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cnc(-c2ccccc2Cl)s1	140319943	UEFBYCSCVMPSEI-GFCCVEGCSA-N	416.289	5.078	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccs2)ccc1OCC(=O)N(C(C)C)C(C)C	209991557	JUEOLMAJKSWECM-LUAWRHEFSA-N	415.555	5.067	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2c(C#N)cnc3c(C)cc(C)cc23)ccc1OC	301361014	ALQZLROTPGALDN-IBGZPJMESA-N	400.482	5.025	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)c1ccccc1	427122872	UCMIXNQKUVAWIO-HSZRJFAPSA-N	414.509	5.092	30	20	HKED	
C[C@H](c1nnc(SCCCCC(C)(C)C#N)n1-c1ccc(Cl)cc1)N(C)C	436134729	VMUDRYIVBIBVBW-OAHLLOKOSA-N	405.999	5.355	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4ccc(Cl)cc4n3)n2)cc1	437350450	CIKKXDQRHCZAQG-KRWDZBQOSA-N	419.893	5.510	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)Nc2ccc(CC#N)cc2)C(C)C)cc1	437607409	SZSQYEZIYFIMRG-UHFFFAOYSA-N	413.521	5.871	30	20	HKED	
CC(C)C[C@H]1COCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437737605	PBNLQMZFCYIWLS-PZJWPPBQSA-N	411.933	5.274	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc1	437839638	HXMAKERKYVEFPS-MBSDFSHPSA-N	421.516	5.255	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1	438036708	IJMHPJZLVBICJP-JKSUJKDBSA-N	413.974	6.349	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc(F)cc1F	439670821	IJVYERKJIKWGEB-CYBMUJFWSA-N	411.383	5.207	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)cc(F)c1Br	443534049	VKAFDWZSKCBYLI-PBHICJAKSA-N	420.257	5.031	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	443872800	AXVLDSONIFIJIS-UHFFFAOYSA-N	419.575	6.060	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CCCC1(C)C	445240407	NLDBFODILMWBCX-FQEVSTJZSA-N	413.562	5.057	30	20	HKED	
CCN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(C#N)cc1	461545996	PIJBQZIRLVJLSQ-UHFFFAOYSA-N	422.282	5.175	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2nnc(C)o2)cc1)c1nc(-c2ccccc2)cs1	462111562	LNGAHCBPKHORIQ-UHFFFAOYSA-N	402.479	5.001	30	20	HKED	
C[C@@H](CC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(F)c(Br)c1	462246079	KAOLAAOAUVXJSR-IFXJQAMLSA-N	403.295	5.243	30	20	HKED	
C[C@@H](C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C#N)c1	462427892	MCPQPXFBUIEKAA-GFCCVEGCSA-N	414.349	5.358	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	463135493	BTRFWPNMERECSZ-UHFFFAOYSA-N	408.552	5.280	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1Br	467125712	JJVOFRYUWMLQFV-UHFFFAOYSA-N	424.323	5.428	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	469317103	XNOOPXHRBLGUCY-HXUWFJFHSA-N	408.567	5.129	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1	471240995	BGDRTFMZLSWXSA-HXUWFJFHSA-N	405.542	5.311	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	471462482	NLWBZSNEQFUGOF-YOEHRIQHSA-N	419.472	5.175	30	20	HKED	
CSCc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1F	472031069	YAKNEZNKTXCZAV-UHFFFAOYSA-N	407.470	5.308	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c2C(F)(F)F)cc1	474432713	NLYBXEFOVKEJLZ-CQSZACIVSA-N	418.444	5.270	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c12	474448012	RNZGJDFZQVWAQO-INIZCTEOSA-N	402.479	5.268	30	20	HKED	
Cc1ccc(-c2ncccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)s1	474533471	IVJYFSSFCDEUQQ-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1nnc(-c2cc(F)ccc2NCc2cccc(OCc3ccccc3C#N)c2)o1	475347157	FTTKJRFPCVICMS-UHFFFAOYSA-N	414.440	5.247	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CO)c1cccc(Br)c1	475555314	VXWGTRPMYYUTLR-LJQANCHMSA-N	417.347	5.156	30	20	HKED	
N#CC[C@H](CC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1	477011049	KTGBWXLPTBIIFS-OAHLLOKOSA-N	400.309	5.221	30	20	HKED	
CC1(C)CN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC[C@@H]1C(F)(F)F	479735528	UQZFPSHYTYOYCM-KGLIPLIRSA-N	414.365	5.439	30	20	HKED	
CCC1(CO)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	482991473	JQPYJAXFBQSYFT-FQEVSTJZSA-N	411.933	5.012	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)C[C@H](CC#N)c3ccccc3)n2)cc1[N+](=O)[O-]	483133547	IERIFMVINDMVDA-INIZCTEOSA-N	406.467	5.053	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1cnc2ccccc2n1	483188927	BSMUFUQFZVQDKY-OAHLLOKOSA-N	421.428	5.450	30	20	HKED	
C[C@@H]1CC[C@H](N(CCO)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	486232914	PDPACBVEXKRTFP-PBEJRMEISA-N	411.933	5.010	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	487515116	NWXUOJQVOVTYIC-HXUWFJFHSA-N	409.942	5.557	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)[nH]c1-c1ccccc1	488288853	FFWVJEWHDOEEMG-OAHLLOKOSA-N	422.579	5.510	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(F)c(OC(F)F)cc1F	491360574	NYXYJYFVXZFEAQ-UHFFFAOYSA-N	410.289	5.249	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)n[nH]2)c(C)c1	495014203	CDEPCIXHAGEKJI-UHFFFAOYSA-N	423.476	5.313	30	20	HKED	
Cc1csc(C2(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CCCC2)n1	496093585	PMWDXWAZJLWPFI-UHFFFAOYSA-N	421.497	5.454	30	20	HKED	
N#C[C@@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1Cl	499931385	PLEQIWFYXNDGOD-JOCHJYFZSA-N	402.881	5.351	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1Cl	502318189	MTQXWMQUALBDTC-LJQANCHMSA-N	400.869	6.121	30	20	HKED	
O=C(NC[C@@H]1CCCC(F)(F)C1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	504803359	YELRYFUYZPWMHC-MFKMUULPSA-N	416.337	5.016	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([C@H]4CCCOC4)cc3)n2)cc1	505716870	NBIJBNBJUPTRKZ-LEWJYISDSA-N	413.502	5.066	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1	505958914	BZELLOYJAKTZHY-QPUJVOFHSA-N	418.143	5.302	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1	508447809	FHYPDRVJXLDFAA-UHFFFAOYSA-N	412.367	5.630	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)[C@H](C)c1ccc(C#N)cc1	509587873	MWHLETSMAULXPG-QGZVFWFLSA-N	415.468	5.173	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510193009	WNSCXYVCCUZEQZ-MRXNPFEDSA-N	403.507	5.138	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1)c1nc(-c2ccccc2)cs1	512158431	DHUHIISNEZVPNR-JXFKEZNVSA-N	417.534	5.237	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N(C)Cc1cccc(C#N)c1	512512522	WMWXCOGWDZSINM-OAHLLOKOSA-N	408.502	5.032	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C	513403255	ROBBAWHALHFLGX-AWEZNQCLSA-N	408.951	5.186	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)o1	514037390	DPWKRDFWKZWZFQ-QFIPXVFZSA-N	406.869	5.265	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)C(F)(F)F)cc2)ccn1	516819866	INGJAVWSDCQQCY-LJQANCHMSA-N	412.371	5.171	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1OC(F)F	518372488	YYZFLBJFYPKUKG-LJQANCHMSA-N	423.419	5.228	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCCc3c[nH]c4cc(F)ccc34)cc2)cc1	518926767	PBBUDDQSNVJZFR-UHFFFAOYSA-N	413.452	5.138	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1cccc(Cl)c1	520195726	IYZYYGZXPCUMIN-OAHLLOKOSA-N	403.935	5.277	30	20	HKED	
Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	521250163	OEAWLTBHKMTFOQ-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1cccc(COCc2ccco2)c1	522123337	PBGSBHHTPFZTIQ-UHFFFAOYSA-N	405.404	5.307	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1	522632683	LABZNPYVKNLTBP-NRFANRHFSA-N	417.896	5.331	30	20	HKED	
N#Cc1ccc(OCCNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc1	525646375	HLSBVCRDKRNQGY-UHFFFAOYSA-N	424.831	5.254	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1	532701835	ZOLGRXLZCSSXCN-MWTRTKDXSA-N	411.546	5.289	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1	534167718	VKWVCXGBOPWDGN-OPAMFIHVSA-N	402.881	5.056	30	20	HKED	
C=C[C@H](CC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1	536184978	ICDMSHRQSBNTBV-JOCHJYFZSA-N	419.546	5.100	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	538023500	DVTNGVPEPUCQTB-KSFYIVLOSA-N	418.928	5.836	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc([N+](=O)[O-])cc1F	541623707	FYHWXPWJGAEVNS-CQSZACIVSA-N	405.385	5.140	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1	543993695	YTULUEGEZZUCEX-OYHNWAKOSA-N	413.974	5.414	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@H]1c1ccnn1C)c1ccc(C(F)(F)F)cc1	543999200	XQUHIFUQKUIVTI-ICSRJNTNSA-N	420.479	5.383	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	544117099	JACYTMIHLWKULB-FGSXEWAUSA-N	423.582	5.111	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl	557061049	GFWDWOSBIOQTJT-UHFFFAOYSA-N	407.905	5.124	30	20	HKED	
Cc1c(C(=O)N(CCC#N)c2ccc(F)cc2)oc2c(Br)cccc12	557982808	YNDJNNVLZLVKRI-UHFFFAOYSA-N	401.235	5.203	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N(CCC#N)c1ccc(F)cc1	559474957	YQMPBKWKHZXLON-UHFFFAOYSA-N	416.378	5.104	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)CC1	576293657	XPXLSZOPQYXHKX-UHFFFAOYSA-N	419.887	5.239	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCc2ccc(C#N)cc21	579451110	VOKIZQCPMGQGRX-AWEZNQCLSA-N	423.925	5.078	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc(-c2ccccc2)cs1	601186476	VRDSZNGTQUXGGT-SFHVURJKSA-N	424.529	5.488	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCSc4ccc(F)cc43)cn2)cc1	603691043	WTUMFRBYIJBCLG-LJQANCHMSA-N	420.469	5.243	30	20	HKED	
N#Cc1ccnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1	603726926	MTCKZBPLAOMUDQ-UHFFFAOYSA-N	421.334	5.114	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)sc2cccc(F)c12	603764464	HBOMHINXWJKVRR-UHFFFAOYSA-N	403.438	5.660	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c3c(C)noc3n2)c(C)o1	603934829	CPTWTJQZYUQUPY-UHFFFAOYSA-N	417.469	5.089	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	604243035	BABVFDIUIQMZBU-OAQYLSRUSA-N	405.501	5.726	30	20	HKED	
C=CCc1cc(C(=O)Nc2cc(F)ccc2SCC(F)F)cc(OC)c1OC	606221278	YXIVMTKJURXUSI-UHFFFAOYSA-N	411.445	5.181	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cs1	609204702	MASXOILKHJPYIX-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc21	609643652	WWVXYQCCLWVATQ-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
Cc1cccc2c(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c[nH]c12	610152439	YDEPTJNNMDWBRN-UHFFFAOYSA-N	409.489	5.303	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc4cccc(F)c4o3)c2)cc1	610224318	AXIKIWKUACSUQS-UHFFFAOYSA-N	400.409	5.469	30	20	HKED	
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2ccc(F)cc2)s1	610809687	OJGKRLOLJURUAP-MRXNPFEDSA-N	406.530	5.140	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F	613346081	BQXMCFMARPPUGU-ZDUSSCGKSA-N	421.280	5.755	30	20	HKED	
N#C[C@@H](C(=O)c1occc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	620304493	FGINNDWQEJBDSL-HNNXBMFYSA-N	406.413	5.838	30	20	HKED	
O=C(CCc1ccccc1OC(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622477972	QTGWBDGFFWBIEI-OAHLLOKOSA-N	423.328	5.467	30	20	HKED	
CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(F)cc1	674617063	VOFRSSRGZWMIBZ-MGPQQGTHSA-N	414.365	5.295	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(F)c(F)c1	678659791	AFZWRTLGUCFHFO-OAHLLOKOSA-N	424.316	5.128	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3ccc(OCCC(=O)O)cc3)s2)cc1	727654474	NAKBMZFWTDOBSO-GHXNOFRVSA-N	407.491	5.177	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3F)o2)cc1	727986253	AANSJSHDMDGWAF-UHFFFAOYSA-N	412.420	5.789	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2nc(-c3cccs3)oc2C)c1	728185567	LLWGKRKURWLCHK-UHFFFAOYSA-N	402.475	5.062	30	20	HKED	
N#CCn1c(C(=O)OCc2ccc(OCc3cccs3)cc2)cc2ccccc21	729893298	BIEXHNYZUSWLES-UHFFFAOYSA-N	402.475	5.162	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc3cc(F)ccc3s1)O[C@H](C)C2	730418748	ZFOOVQFXMXJOEA-UECWQGKISA-N	422.481	5.047	30	20	HKED	
COc1cccc(C2CC(=O)C(=CNc3ccc(-c4csc(C)n4)cc3)C(=O)C2)c1	730983996	NSZHIFWGYMAWLO-UHFFFAOYSA-N	418.518	5.139	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)c1	731992189	BXYLXABHGZJLJU-UHFFFAOYSA-N	405.429	5.072	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2Cl)ccc1OC	733334458	WYQOQMQTWPYBPR-CQSZACIVSA-N	408.285	5.005	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1	733852043	QPHYHTWIIBRROJ-PXNSSMCTSA-N	420.538	5.024	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSC[C@H]1OCCc2ccccc21	734510632	CXUVDCHWAGTVEK-OXJNMPFZSA-N	412.580	5.067	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)c2sc3cc(Br)ccc3c2Cl)C1	735057461	JZXYYPKSDUOSAK-QGHHPUGFSA-N	411.752	5.519	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN(Cc1cccc(Br)c1)C1CC1	735308077	BSPKQRQIYVHUNC-UHFFFAOYSA-N	405.723	5.169	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4ccccc4F)oc3C)n2)cc1	739156877	RHWOLKGXSFKKFD-KRWDZBQOSA-N	417.465	5.711	30	20	HKED	
CN(Cc1ccc(F)cc1Cl)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740060064	OPZVARVCRFKSCB-UHFFFAOYSA-N	413.905	5.421	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C	740449548	KEYQEXSCRBLQBO-UHFFFAOYSA-N	401.551	5.584	30	20	HKED	
CC(C)(C)c1csc(-c2cccc(OC(=O)Cc3ccc(OCC#N)cc3)c2)n1	740792996	CMJDGPSEBRHLTN-UHFFFAOYSA-N	406.507	5.158	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)NCc3ccc(OCC#N)cc3)cn2)cc1	741214781	JBGHGADMGRHUKG-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)cc1OC	741995342	MDMSGESKCOMFHC-YRNVUSSQSA-N	423.406	5.003	30	20	HKED	
Cc1ncsc1/C=C/C(=O)c1sc(-c2ccccc2Br)nc1C	742434898	POGSJWPRXKOJLJ-BQYQJAHWSA-N	405.342	5.542	30	20	HKED	
CCC(CC)(CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)SC	743138777	ALOWBKGIDKMUQY-UHFFFAOYSA-N	411.571	5.489	30	20	HKED	
CC(C)(CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	743449871	WEDRSCHECJPJAD-KRWDZBQOSA-N	402.466	5.017	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3c(CC)cccc3CC)o2)cc1	744029741	UTYGWCIAFFUNLX-NRFANRHFSA-N	414.505	5.595	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	744371236	OMRZHXAWCCWOFJ-UHFFFAOYSA-N	405.376	5.176	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	744371664	XQFAVIGGYOOCHT-UHFFFAOYSA-N	405.376	5.176	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc(Cl)c2)c1	744762021	UQTCSYGEHIYCRU-UHFFFAOYSA-N	400.935	5.113	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccc1OCc1ccccc1	747193065	DFZKGJYDSMLESL-SFHVURJKSA-N	406.507	5.344	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCCOc2cccc(Br)c2)n1	747196983	SKLYYBRCBVSRDR-OAHLLOKOSA-N	407.333	5.064	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1	751013033	DHNPEVBHHWVCQA-UHFFFAOYSA-N	420.450	5.076	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cc3c4ccccc4n(C)c3s2)cc1C#N	752205117	ZBXMKIPRYZEKDG-UHFFFAOYSA-N	418.478	5.085	30	20	HKED	
C[C@H](OC(=O)C1(C#N)CCCC1)c1cnc(-c2ccc(Br)cc2)s1	752570165	COPDCMJNBYMPBZ-LBPRGKRZSA-N	405.317	5.261	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C\c3ccc(Br)c(Cl)c3)cc2N1	754828935	SFYGEZBTLPHFGJ-RQOWECAXSA-N	414.733	5.104	30	20	HKED	
C[C@@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756243726	MKRADXSZCUIKED-LIRRHRJNSA-N	421.522	5.426	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1	757847242	JNEJSZZSDUTITL-HXUWFJFHSA-N	405.514	5.254	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1OCc1ccc([N+](=O)[O-])cc1	759081889	BUJLQFHTUQKOES-WTKPLQERSA-N	424.840	5.127	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(-c3ccccc3)c2)ccc1OC	772985004	IFIORBQYYYDFEN-CYFREDJKSA-N	400.522	5.894	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(F)c(Br)c2)ccc1OC	772985678	MBVPUMVBDDSBMY-BBRMVZONSA-N	421.310	5.129	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)ccc1OC	774447464	HOGOIRNPOHVHIL-SIKLNZKXSA-N	420.475	5.882	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc2[nH]ccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	776080368	IFQZZZKMJRSFSZ-OAHLLOKOSA-N	413.424	5.605	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCc4c(Cl)cccc43)n2)cc1	776084653	SECYZAVMQWWDGT-QZTJIDSGSA-N	408.910	5.378	30	20	HKED	
CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1	777308952	HVXXUJXEJMCSEW-PBNUPURSSA-N	415.940	5.256	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cc(C(F)(F)F)cnc1Cl	779631951	YDIZZLXDXWFTLU-UHFFFAOYSA-N	416.680	5.086	30	20	HKED	
Cc1cccc2nc(C3CCN(C(=S)Nc4ccc(C#N)c(Cl)c4)CC3)oc12	780234807	DRQRGSRWANXPIZ-UHFFFAOYSA-N	410.930	5.238	30	20	HKED	
Cc1cc(NC(=O)Nc2ccn(CCC#N)n2)ccc1-c1ccc(Br)cc1	787443658	WPHJMLGKMFRAIE-UHFFFAOYSA-N	424.302	5.179	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1	789450800	RAEDWWCWHRTCEV-XLIONFOSSA-N	415.578	5.306	30	20	HKED	
COCC[C@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)c(Cl)c1	792927764	RLEIOUZFWOZAOF-SFHVURJKSA-N	413.732	5.417	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Cn3ccc4ccccc43)n2)cc1	796887384	HWYHJSRGXFHVQT-UZLBHIALSA-N	415.518	5.286	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cl)c3ncccc23)cc1	802041817	GJLLNHIIVSSLFL-AUUYWEPGSA-N	405.885	5.363	30	20	HKED	
Cc1cccc2cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)sc12	808631348	ZVNQABFNVAXSRC-HNNXBMFYSA-N	424.547	5.400	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3ccccc3[C@H]2C)cs1	809158672	BSFKZZMRPUZFBR-AYPRBGQRSA-N	408.910	5.865	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4cccc(C#N)c4)nc(O)c23)s1	834779443	LUFXJJHXDXBDJA-OVCLIPMQSA-N	409.923	6.042	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc2nc(O)[nH]c2c1	834826960	GYTGRSBBOSZTAM-NYYWCZLTSA-N	417.852	5.070	30	20	HKED	
N#CCCCCOC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	914623982	WYMNOXFNNMHDQB-VKAVYKQESA-N	421.478	5.372	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3cc(C)sc3C)n2)cc1	915100608	WXSIRWAWPNAHPJ-SFHVURJKSA-N	408.548	5.636	30	20	HKED	
COc1cc([C@@H](C)/N=C\c2cc3ccccc3nc2O)ccc1OCc1ccncc1	915981850	XQQROIVIDCXIKZ-COXSBDCDSA-N	413.477	5.103	30	20	HKED	
Cc1nnc(C)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	916350215	FJZZPTIPLSBAQZ-UHFFFAOYSA-N	418.504	5.297	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(-c2ccccc2)s1	916946219	NQZMZUYLVWSJLQ-OAHLLOKOSA-N	416.289	5.078	30	20	HKED	
C[C@H](Oc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997142	RSHRHZFYJFMBLW-BLLLJJGKSA-N	417.317	5.761	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1/C=C\C(=O)c1cnn(-c2ccc(F)cc2)c1C	920991478	KGHHMJJNCZHIJA-YPKPFQOOSA-N	414.484	5.078	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2)CCC1	1789104208	CALFWGQHQJFVAI-OAHLLOKOSA-N	407.539	5.189	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc2)CCC1	1789193238	OPHMPTSMWSFHNK-UEVCKROQSA-N	406.570	5.140	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)CC2)C1	1830421622	NENSULCHAZRKQW-HSZRJFAPSA-N	414.634	5.179	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)c(C)c2)cc1	11164140	NRPQQFJNPCQOPE-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
C=CCn1c(SCc2cccc(OC)c2)nnc1-c1ccc(Br)cc1	14081360	NIPDNNNAUHZNCD-UHFFFAOYSA-N	416.344	5.195	30	20	HKED	
C#Cc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1	25611496	LTXIADYZAVAKHX-UHFFFAOYSA-N	423.316	5.144	30	20	HKED	
COCc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	41537843	OVDZFLYGDCHXBR-INIZCTEOSA-N	417.317	5.753	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)oc1C	54113654	XIDXARBXLPCIMZ-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)CCC(=O)c1ccc(C)s1	109908161	CFINENOIHYYUSA-UHFFFAOYSA-N	424.335	5.136	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1	138785251	PTBBYUOFOBMRTH-HXUWFJFHSA-N	404.491	5.048	30	20	HKED	
CCCC(=O)Nc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1	236761110	VEFJHTAONJXWKI-UHFFFAOYSA-N	413.521	5.166	30	20	HKED	
CCOc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	303341179	LOYVPVAAMGKWCD-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)cc2)c1	303948547	YPGMLIANMXFYBN-IRLDBZIGSA-N	404.416	5.158	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1	393141760	YLFUMJOPCOEORP-UHFFFAOYSA-N	411.221	5.521	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c2)cn1	430612696	TVJDPWIYSPNJNR-LJQANCHMSA-N	405.523	5.213	30	20	HKED	
Fc1ccc(Oc2ccc(CNc3nnc(C(F)F)o3)c(C(F)(F)F)c2)cc1F	432338721	GGCNZEAMMAFOKO-UHFFFAOYSA-N	421.272	5.709	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOc2c(F)cccc2C1	433252766	OYLCAPCZLRQNAS-UHFFFAOYSA-N	417.440	5.225	30	20	HKED	
C=CCC[C@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1	435274890	NAYJFZICLDZNFQ-FQEVSTJZSA-N	422.550	5.194	30	20	HKED	
COc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C(F)(F)F)c1	437736961	NHLXSJVFUXFJBS-QFBILLFUSA-N	403.404	5.018	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C)cs1	437845100	UMGCEEISJKDNQW-JOCHJYFZSA-N	406.511	5.562	30	20	HKED	
COc1ccc([C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccc(F)cc2)cc1	438837559	AUOXIKQGSRUMDW-DNQXCXABSA-N	417.484	5.268	30	20	HKED	
CCCc1c(NC(=O)Nc2ccccc2CSC)cnn1-c1cccc(C#N)c1	439670955	GXUSYDNHVZGCFR-UHFFFAOYSA-N	405.527	5.203	30	20	HKED	
COCc1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(-c2ccccc2)s1	440475788	FUJNSAWWWAGPJJ-HNNXBMFYSA-N	423.563	5.461	30	20	HKED	
COc1c(F)ccc(F)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	445828598	VUTXZNPUGWNHRE-MRXNPFEDSA-N	412.823	5.535	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Nc1ccccc1SC[C@H](C)C#N	463967968	XAETYSVHDUEWPK-SJLPKXTDSA-N	409.555	5.189	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1cc(C(F)(F)F)ccn1	464416485	CJDNKTPBVIAAPA-AWEZNQCLSA-N	419.309	5.056	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1)c1ccccc1	464465568	GUWGHCVEHYXDRD-MGPUTAFESA-N	410.395	5.730	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1	464940044	KGGDAOJIFWTAJV-RPBOFIJWSA-N	421.500	5.049	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)c1	465903336	VLPANKJUSOJBJL-RUZDIDTESA-N	409.464	5.439	30	20	HKED	
C=CC[C@@H](C)NC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466508114	DAGLGCZJCXONOY-YPMHNXCESA-N	408.365	5.206	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSC[C@@H]1CCC2(CCCCC2)O1	466755627	PIKLKRYMTFHXDO-MSOLQXFVSA-N	418.628	5.634	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1F	467569329	BPKVBHNWLASGJL-NRFANRHFSA-N	423.469	5.157	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccnc(Oc2ccccc2F)c1	472225176	TUFLNUNADDGXNZ-UHFFFAOYSA-N	405.473	5.301	30	20	HKED	
CCOc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccc1OCc1cccnc1	474439387	MDPVAHXCZVFBBT-SFHVURJKSA-N	421.522	5.129	30	20	HKED	
C[C@@H](NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1	474887211	NTKFJZPRNSLNGJ-GIVMSGLBSA-N	401.963	5.140	30	20	HKED	
Cc1ccc([C@@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccccn2)cc1	475327296	BUPAFVMLGWUEJG-MUUNZHRXSA-N	419.528	5.720	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCCc2ccccc2F)cc1	475480108	OLXDXBDLABZKLZ-UHFFFAOYSA-N	417.484	5.225	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1	475543563	CSGHSFYTUGUSRI-XMMPIXPASA-N	421.585	5.506	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1	475663736	DWCAJOLGQZJGKJ-AZUAARDMSA-N	419.525	5.530	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccc1	476832049	QOJMEWGXVVPDGP-HRAATJIYSA-N	415.306	5.243	30	20	HKED	
O=C(Nc1ccccc1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	477130113	VKBLKBRLTRCZAC-DSNUTCFNSA-N	423.372	5.887	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481629985	VNWWQSWGSMZBBO-UHFFFAOYSA-N	415.468	5.496	30	20	HKED	
CCc1c(NC(=O)c2ccccc2Oc2ccccc2C#N)cnn1C(CC)CC	482725199	VFQRTCRBTVLPJV-UHFFFAOYSA-N	402.498	5.723	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2CCN(C3CCCC3)CC2)c1	482731682	GUDAVOKSIQGTCT-UHFFFAOYSA-N	423.944	5.141	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cnc2ccccc2n1	483223135	VEZKNZGFCPTCMC-IBGZPJMESA-N	417.390	5.806	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(CCN4CCCC4)cc3)c2)cc1	483323782	JPOIJLSVFQQLIX-UHFFFAOYSA-N	411.505	5.241	30	20	HKED	
COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Br	486173684	VHQLYSVKQGCKMM-UHFFFAOYSA-N	407.267	5.249	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)c(F)c2)cc1	486298392	KVDPZGHYNBCXOH-UHFFFAOYSA-N	416.452	5.133	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	487431924	UXZXBQMVVGMSIA-HSZRJFAPSA-N	403.526	5.370	30	20	HKED	
N#Cc1ccc(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc1C(F)(F)F	488516570	NOONYMPSZPDFME-UHFFFAOYSA-N	405.342	5.354	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccn3)n2)nnc1-c1ccccc1C	488904377	BKOVPQFREJRAEJ-UHFFFAOYSA-N	405.552	5.250	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	491836229	YXNXGNBHXBDLQP-QGZVFWFLSA-N	403.457	5.353	30	20	HKED	
Cc1cccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)(C)C)c1	494006219	GYXVOEDASRKNDQ-DYESRHJHSA-N	423.582	5.231	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1	494020361	MUHMDASQQKBFLK-UXHICEINSA-N	421.294	5.251	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1Nc1ccc(F)cc1F	494148251	HXHRAJSHMYFUMH-UHFFFAOYSA-N	423.467	5.007	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc1	499122098	OGBQJXXJKBZOGG-UHFFFAOYSA-N	412.474	5.025	30	20	HKED	
CCCCCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OC	503122477	PQYLUTXEDRZFLJ-ZWKOTPCHSA-N	409.530	5.257	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1	503150012	FRGBOTGYVLXLNP-LBPRGKRZSA-N	415.490	5.735	30	20	HKED	
CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1F	504722066	FSYRJJJDNDGHFF-UHFFFAOYSA-N	418.537	5.697	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1Cl	509647337	XGGLDUPGQWPEJC-INIZCTEOSA-N	418.852	5.074	30	20	HKED	
Cc1oc(C2CC2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	510829053	VYFAAQXQVGPGSH-UHFFFAOYSA-N	407.857	5.217	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCN2CCCCC2)cc1	511269765	POEOZGCTZLEMCI-UHFFFAOYSA-N	404.558	5.031	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1F	515757262	BVHFZEJBJVNOMO-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccc(C)cc2)c1C)c1nc(-c2ccccc2)cs1	516073463	VRCMMDMYTHGGMC-UHFFFAOYSA-N	414.534	5.445	30	20	HKED	
C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)Nc1ccc(CC#N)cc1	517114463	PTPHYXADFZUCCD-KZULUSFZSA-N	416.344	5.120	30	20	HKED	
COc1cccc([C@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	518420430	ZSUQKBFNAOVGCC-SFHVURJKSA-N	402.469	5.351	30	20	HKED	
COc1ccc(C)cc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N	518667488	BMCQZRQMLAZHOX-INIZCTEOSA-N	400.569	5.127	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)CC2)cc1	519658240	JEOWDJRAQYDGAW-UHFFFAOYSA-N	420.532	5.297	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12	520561695	UKLUSQJGGYJAHA-UHFFFAOYSA-N	404.514	5.299	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(SCc3cccnc3)cc2)c1	521951826	RNPOTSHKZKSBQL-UHFFFAOYSA-N	417.534	5.433	30	20	HKED	
C=CCn1c(SCc2ccn(C(C)C)n2)nc2cc(-c3ccccc3)sc2c1=O	522574218	RVLYXXYMTJCATE-UHFFFAOYSA-N	422.579	5.381	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	525061174	WWWIKRNPIKFJLS-SJCJKPOMSA-N	414.349	5.599	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(O)c2ccccc12	526049129	XVHVRYYMDOVIHD-UHFFFAOYSA-N	411.436	5.107	30	20	HKED	
CN(C(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1cc(Cl)ccc1C#N	531678742	FSKAYMNGBBMRNL-UHFFFAOYSA-N	401.897	5.051	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C)Sc2ccccc21	533013074	MJHSLQHDHXOQMV-DLBZAZTESA-N	411.596	5.268	30	20	HKED	
CC(C)Cn1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C(F)F)n1	535642612	VPNRXGVOIVKHPK-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	538523420	XTKKYPPSQVTQSC-SANMLTNESA-N	423.560	6.012	30	20	HKED	
N#Cc1cc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)ccc1Cl	538683862	AZBQRCZOGXIXKL-MHZLTWQESA-N	400.931	5.045	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1	543482811	STOQNYOQLYGTFM-OAQYLSRUSA-N	410.304	5.512	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccc(C)c2n1	545473712	RXZRGAXJRMMQHD-KRWDZBQOSA-N	405.523	5.263	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	551248045	JFQSALOEYRBJJM-UHFFFAOYSA-N	406.461	5.065	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nccn1-c1ccccc1	554211174	IBDTZUMIRDRSRK-IAGOWNOFSA-N	405.527	5.149	30	20	HKED	
N#C[C@@H](C(=O)c1cc[nH]c1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	554321167	HHHPGYPNLIJAJU-AWEZNQCLSA-N	402.306	5.812	30	20	HKED	
C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	556559384	NEJZPWUQKFHRIL-VIFPVBQESA-N	414.214	5.038	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	557065030	GLXMKIQCHKXVLY-UHFFFAOYSA-N	409.820	5.739	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccccc3NC3CCCCC3)CC2)c(F)c1	557659576	AMZIGVNAFGTWFG-UHFFFAOYSA-N	421.516	5.126	30	20	HKED	
CC(C)(CCC#N)CNC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1	557982074	KBDLPEXZDQQYOK-NRFANRHFSA-N	400.975	5.609	30	20	HKED	
O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@H]1CC[C@H](C(F)(F)F)C1	560621506	RCFFASKSVPFMRC-YUMQZZPRSA-N	415.284	5.134	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCCc4ccc(F)cc43)cc2)ccn1	570439532	PVZKTNBJVJXECP-QFIPXVFZSA-N	402.429	5.084	30	20	HKED	
C[C@@H](c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)N(C)CC(F)(F)F	576025495	ITDMONRPNREYNZ-ZETCQYMHSA-N	421.263	5.329	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2cc(F)ccc2s1	592974519	SMGXJALQKBKYDD-OAHLLOKOSA-N	421.478	5.239	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1	605034927	DWHBKHMDDHLTEO-UHFFFAOYSA-N	410.518	5.202	30	20	HKED	
CCCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](C)c1ccc(C)o1	609056356	INEGBFCWHAEOBA-GOSISDBHSA-N	406.482	5.635	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(C#N)cc1F	609228683	CUUBSDZGMHDZPT-UHFFFAOYSA-N	419.403	5.078	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl	609377801	GDDSVYFTKDIMRK-NSHDSACASA-N	404.919	6.198	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc(-c2ccccc2Cl)s1	609428242	GXSLBLAOIPYRFI-CYBMUJFWSA-N	413.955	6.110	30	20	HKED	
N#Cc1ccc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1	609511621	GTLLRABLCAUFNZ-XMMPIXPASA-N	402.542	5.251	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc([N+](=O)[O-])cc1	609722369	VCGOPBAWYAKSNV-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cn2)c1	609928226	QFVYVHCKDHPSOG-HXUWFJFHSA-N	402.454	5.488	30	20	HKED	
N#CCN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C1CCCC1	609976972	VDJPUMZNFVXZQJ-UHFFFAOYSA-N	407.464	5.340	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@H](Sc1ccc(C#N)cc1F)c1ccccc1	610164677	QKPRHIKEBWNICP-JOCHJYFZSA-N	406.482	5.487	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F	611184966	LSSOOMIYSYJSGD-UHFFFAOYSA-N	414.437	5.078	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cnccc3Oc3ccccc3)cn2)c1	619689250	BKQLAZWFYJBFOM-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C=CCCO[C@H](C)C(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C	620567940	XDCBEJXQQLVSNO-HXUWFJFHSA-N	420.578	6.381	30	20	HKED	
Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2s1	683372980	VYKAHUDDYXYJDG-GFCCVEGCSA-N	417.437	5.723	30	20	HKED	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S	726801099	DNSHSHIARUDEFH-UKEODDKASA-N	408.548	5.332	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(SC(F)F)c1	727346034	VJLOEYVJJNLNKG-UHFFFAOYSA-N	412.486	6.276	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1	727589173	LSFBJMZNARXUAX-ZEQRLZLVSA-N	415.468	5.087	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1	728738271	NRDYANCETVQSGW-CLJLJLNGSA-N	409.533	5.971	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1ccc(=O)c2cccc(Br)c21	729847756	VWWUQZBNXLELCW-UHFFFAOYSA-N	423.763	5.125	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2[nH]1	730394617	JHTYAYHQICSAQZ-HXUWFJFHSA-N	415.880	5.214	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc2ccccc12)c1nc2cc(F)ccc2s1	730417480	NNKPMGCCPATYKG-SFHVURJKSA-N	404.466	5.624	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	731288115	PQNCPNQEJJOYRJ-VXNXHJTFSA-N	404.469	5.444	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)c1	733800806	GGHSQIVOQKLIBG-RDTXWAMCSA-N	420.340	5.105	30	20	HKED	
C=CC[C@H](NC(=O)CCCSc1ccc(Br)cc1)c1ccncc1	734459041	DZOSDPMYRJEANY-SFHVURJKSA-N	405.361	5.150	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(F)(F)F)ccc2s1	734706639	PLKIJCIWFVVPGQ-AWEZNQCLSA-N	417.387	5.354	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740060891	YKUHODPSBDDYCC-MRXNPFEDSA-N	415.518	5.936	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1-n1cncn1	742432471	WWJQOUFETQTBGQ-CLFYSBASSA-N	416.462	5.109	30	20	HKED	
CCN(Cc1ccccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C	743169936	DQEKGDFXSBKYDE-KRWDZBQOSA-N	422.529	5.198	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)c1ccncc1	746334600	RYMMLFUDQNBTTE-FQEVSTJZSA-N	401.963	5.319	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)C(=O)c3cccc(F)c3)n2)cc1	747108666	JEEOQCZQYWLAGW-HNAYVOBHSA-N	406.482	5.343	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(CSc3ccc(C#N)cc3)n2)c1	747865571	LBMBVPCTADUGIA-UHFFFAOYSA-N	408.483	5.248	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F	754110352	VRPYXCTWKPDUCE-BTYIYWSLSA-N	403.413	5.132	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(F)cc(C(F)(F)F)c1	756232583	UYTQWTZVBRESAN-GFCCVEGCSA-N	419.161	5.112	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1	757206992	KFPWRRIOFCTZDW-JOCHJYFZSA-N	408.523	5.081	30	20	HKED	
CC(C)[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1ccccc1Cl	758121652	WWMBHVYESOIQBW-KRWDZBQOSA-N	424.806	5.051	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	760200917	FOYIZYOGBRDQMA-LJQANCHMSA-N	417.534	5.379	30	20	HKED	
Cc1c([C@@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C(C)C)oc2ccccc12	761688802	OKBBRSJKYIXJMK-GOTSBHOMSA-N	417.509	5.093	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1	763469836	CJCLLOOSELXTIM-INIZCTEOSA-N	418.946	5.072	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1	772235328	DEQXCFXWLMVCNU-GPXOXTDOSA-N	411.505	5.241	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2ccc(F)cc2)s1	777117378	YKQJMFMWAIHGDM-MRXNPFEDSA-N	421.541	5.560	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)n1	777326526	UVDYYPROUWPFJM-AHCXZYCDSA-N	417.575	5.011	30	20	HKED	
C[C@H](N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)cc1F	779082225	KLUGSHRPWVPVFX-NYHFZMIOSA-N	409.505	5.773	30	20	HKED	
Fc1cccc(C2CC(=NNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)C2)c1	781594664	PICRYMKDUJMTSD-UHFFFAOYSA-N	401.367	5.042	30	20	HKED	
CC(=O)[C@H](C)CCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	783070907	YAYHQRNWMNCMRU-MLGOLLRUSA-N	423.365	6.079	30	20	HKED	
COc1cc(C=NOCc2ccc(Cl)nc2C(F)(F)F)ccc1OC(C)C	786734682	NZQMKPQMCUAPAR-UHFFFAOYSA-N	402.800	5.100	30	20	HKED	
COc1ccc(/C=C2/N=C(S[C@H](C)CCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1	787488725	VGIXIYWZWCPYCJ-GNFOSXPUSA-N	419.550	5.481	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl	800158345	XWAWSRWVLWSIFE-UHFFFAOYSA-N	412.338	5.158	30	20	HKED	
Cc1ccc(C2=NO[C@H](CNC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1C	801628157	BYKGKEXLOMZTAP-MJGOQNOKSA-N	422.554	5.012	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2c(C#N)cnc3c(Cl)cc(C)cc23)ccc1OC	801671709	YOBWFDRMQQYHOO-QGZVFWFLSA-N	420.900	5.370	30	20	HKED	
C=C(C)CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	814292122	NRXLNLBCKQDSGW-LZYBPNLTSA-N	420.899	5.286	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3cncc(-c4ccsc4)c3)cc2)nc1	816256985	GQZKAOYKVIFWFX-UHFFFAOYSA-N	413.458	5.226	30	20	HKED	
O=C(OC[C@@H]1CC1(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	816418115	HEXTUIUZGQGSBA-QPOXJZOHSA-N	420.340	5.307	30	20	HKED	
C=CCC(C)(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1Br	817457264	OLHOEHAYVKYUIL-UHFFFAOYSA-N	415.331	5.034	30	20	HKED	
CCCCCC/C(C=Nn1c(SC)nnc(C(C)(C)C)c1=O)=C/c1ccccc1	912832098	NERPYRFHEBSTDD-IBLBSJBESA-N	412.603	5.546	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C\C(=O)Nc1nc(C)c(SCC#N)s1	916088468	MZDWWSPRIWHAIY-HJWRWDBZSA-N	424.551	5.056	30	20	HKED	
N#CCCn1cc(C=NNc2nc(Cl)c(Cl)cc2Cl)c(-c2ccccc2)n1	916319088	CUTAYEYMOGWGCB-UHFFFAOYSA-N	419.703	5.265	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)cc1CC(=O)O	916546983	SJEKUXMXAGNFJT-CLFYSBASSA-N	419.458	5.088	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccccc1	916627216	GTIYMAIQVRIIAP-YKRMCXMESA-N	410.498	5.722	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)c1nc2ccccc2s1	916847947	YESCWRVUJQGOID-INIZCTEOSA-N	413.340	5.648	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1	916916350	XLDNKTFFTTYPPS-IBGZPJMESA-N	408.546	5.065	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(-c4ccc(F)cc4)noc3C)n2)cc1	916974176	FVGXOQQVDPPFGJ-GOSISDBHSA-N	417.465	5.711	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	917798054	OGMQYSMHHQKVOY-UHFFFAOYSA-N	407.473	5.070	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	918035809	KTPDULBBVSOSOS-VWLOTQADSA-N	411.505	5.571	30	20	HKED	
N#CCc1cccc(C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	919310484	GTOIMGMCWYHQSY-UHFFFAOYSA-N	402.397	5.252	30	20	HKED	
C[C@@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920143503	XAOFCGLXYXTHBX-CJNGLKHVSA-N	423.950	5.692	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1	1786679467	JFIISBNJFNVCRJ-UHFFFAOYSA-N	414.958	5.007	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1	1823755256	QGVMSSDJBFYGSZ-QFIPXVFZSA-N	414.634	5.179	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2F)CC1	1824728261	MQEDFMBJPHEQEA-IBGZPJMESA-N	420.594	5.113	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(OC(F)F)cc2)nnc1-c1cccc(C)c1	22010733	RNMUFVQVBVUOJU-UHFFFAOYSA-N	415.465	5.016	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccccc2OCc2ccccc2Br)cc1	23694928	BXUNEFWJRSNYOS-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3sccc3C#N)ccc2OC(F)F)cc1	52028984	WSKNREHYOGXSRB-UHFFFAOYSA-N	400.406	5.149	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCSc2ccccc2)cc1	55823690	PGDIQFSAKPCGGQ-UHFFFAOYSA-N	402.519	5.453	30	20	HKED	
CN(C(=O)c1cccc(OCc2ccccc2Br)c1)c1cccc(C#N)c1	63326924	AEJYVLYEIJGCRL-UHFFFAOYSA-N	421.294	5.176	30	20	HKED	
COc1ccc(C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	63631689	HUZRTKLNWVVELW-UHFFFAOYSA-N	416.546	5.426	30	20	HKED	
Cc1nc2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)ccc2n1-c1ccccc1	65839340	LENODIQICQTBAC-UHFFFAOYSA-N	410.477	5.245	30	20	HKED	
N#Cc1cc(NC(=O)c2oc3ccccc3c2CSc2cccs2)ccc1F	97544204	IHHNLADBIYLBGR-UHFFFAOYSA-N	408.479	6.050	30	20	HKED	
Cc1cc(C)c(OCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1	117561995	FXXIHARVRRJUSO-UHFFFAOYSA-N	414.505	5.274	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2)cc1	255943526	DGFLTFFUAZHOFW-UHFFFAOYSA-N	410.445	5.704	30	20	HKED	
CC[C@H](CN(CC)C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1	428944989	JKCDMLOQUDEFRG-HXUWFJFHSA-N	400.526	5.120	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N(C)Cc1cccc(C#N)c1	430324304	SXDGOUNXJPPNJC-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c(Cl)c1	430352235	HOEQFCOHUFFFGP-UHFFFAOYSA-N	422.655	5.338	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)c1	430928341	SZNMWTRVQSJMJL-UHFFFAOYSA-N	402.454	5.237	30	20	HKED	
Cc1c(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)sc2ccc(C#N)cc12	432420302	AUPAHQGWBFYKEV-ZDUSSCGKSA-N	410.568	5.022	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)c1cc(C(F)(F)F)on1	433132135	LVVWNGVDMCKZML-NSHDSACASA-N	412.437	5.002	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Br)cc1Cl	436147422	DAKQAZXZNVWDLF-MAUKXSAKSA-N	418.722	5.406	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Br)cc2F)c2ccccc21	436441340	XUHDLLUOLNCQBQ-UHFFFAOYSA-N	400.251	5.099	30	20	HKED	
CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	437912325	WLNHHJOTXXXKCK-DVECYGJZSA-N	405.542	5.764	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnnn1-c1ccccc1	439559069	AWAISLJJUBDBBB-HNNXBMFYSA-N	416.872	5.153	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1Cl	440782284	JTVMGSXPMDKMTI-GGAORHGYSA-N	402.881	5.248	30	20	HKED	
COc1ccc(C#N)cc1CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444740690	GLUMKWSHPKGTJP-INIZCTEOSA-N	402.338	5.369	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(F)cccc1F	445793643	FHHCBIRFCKGPJA-UHFFFAOYSA-N	400.372	5.171	30	20	HKED	
CC[C@@H](N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccc(C#N)cc1	447531591	QHYWUNHYPOUDBH-ILBGXUMGSA-N	404.485	5.545	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1cncc2ccccc12	462431162	IZFIZIJVHDKWOX-UHFFFAOYSA-N	408.461	5.174	30	20	HKED	
C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@H](C)c1cccc(C#N)c1	464047943	YSPIZGUCQGGMIS-VQTJNVASSA-N	423.516	5.020	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3CCC(F)(F)F)cc2)nc1	465149175	JRPHOHZFDNGVCP-UHFFFAOYSA-N	411.383	5.493	30	20	HKED	
CO[C@H]1CCOc2c(NC(=O)c3ccccc3Sc3ccccc3C#N)cccc21	468696815	XZTAOVZGXQBXGM-FQEVSTJZSA-N	416.502	5.432	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1	472841697	UJYMEZMVVFAGPI-UHFFFAOYSA-N	415.497	5.238	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1	474452242	ZAJIBJUHIGNYFN-QGZVFWFLSA-N	405.454	5.560	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	475986150	OTAUVPGOFMDAQT-GGAORHGYSA-N	405.542	5.614	30	20	HKED	
N#C[C@H](C(=O)c1ccn(Cc2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	478088497	QNUDSQCZPPMGPU-GOSISDBHSA-N	418.909	5.198	30	20	HKED	
CCOc1ccc([C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccccc2)cc1	481223656	FZDCUWLNICZAPO-XMMPIXPASA-N	411.505	5.035	30	20	HKED	
COC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)cc(Cl)c1F	482655555	LOCPAWYQBIDHLX-UHFFFAOYSA-N	408.816	5.057	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)c2)cc1	484983659	KVXKUOKSHKTCOT-UHFFFAOYSA-N	410.473	5.086	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)cc1OC1CCOCC1	488706110	AXWMPWINVNTFES-UHFFFAOYSA-N	424.925	5.319	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1	494246915	FVJZJRODHJBJLH-KRWDZBQOSA-N	416.930	5.156	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)CCCC(F)(F)F)cc1	494767154	HEHDDSPHBQUFNF-AWEZNQCLSA-N	421.419	5.602	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)cc1	499695387	QFVBEKFBWXLOQR-CYBMUJFWSA-N	406.313	5.118	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1	502388710	BFULERCKCYDNSQ-UHFFFAOYSA-N	419.456	5.731	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(CSc3ccccn3)c2)c1	502427599	XRLNNEARJMNHHL-UHFFFAOYSA-N	418.522	5.700	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1	504590776	SGYMOEMYUKFNJO-MRXNPFEDSA-N	401.413	5.190	30	20	HKED	
C=CCn1c(SCC2CCC(=O)CC2)nc2scc(-c3ccccc3)c2c1=O	505449653	RYVULMKIWHWLOQ-UHFFFAOYSA-N	410.564	5.162	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc1	506862456	GTOXQVFGTRPENG-UHFFFAOYSA-N	418.501	5.083	30	20	HKED	
Cc1c(C(=O)NCc2ccnc(Oc3ccccc3F)c2)sc2ccc(C#N)cc12	508734844	QJTBRTKJDCNPSC-UHFFFAOYSA-N	417.465	5.338	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1csc(C)n1	508962892	RNJCQWJIVWWKLR-INIZCTEOSA-N	419.554	5.159	30	20	HKED	
N#CCCCCNC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	509931062	RVNNCCMOOAEJFJ-UHFFFAOYSA-N	424.888	5.389	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cc(-c2ccccc2)no1	510624846	NCERWVANWYGRTK-UHFFFAOYSA-N	424.460	5.636	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C	514561658	SDMLWFLOIQAAHU-UHFFFAOYSA-N	408.571	5.262	30	20	HKED	
Cc1nc(SCC(=O)Nc2sccc2C#N)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	514931463	XHDYXXPPUNDXLU-MUQADHOPSA-N	414.600	5.161	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1	515212087	AGEFGEGPZVKNRR-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
COc1ccc2oc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c(C)c2c1	516229834	BOYPMEKQWZDXHM-UHFFFAOYSA-N	412.445	5.975	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H](c4ccccc4Cl)C3)cc2)nc1	516337569	QACYDUUJWMXFRU-IYARVYRRSA-N	403.869	5.075	30	20	HKED	
CCN(C(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1	518148313	QTQOWKUCGPFIGF-HNNXBMFYSA-N	421.488	5.565	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(Br)c1	518259451	LVQLPXLUUHFWQX-ZDUSSCGKSA-N	404.333	5.165	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1	521264171	YEEZCGGDZNRESO-INIZCTEOSA-N	420.444	5.073	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1	522532174	DLFRFANPGNHLLY-GHTZIAJQSA-N	420.484	5.415	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	522533351	IEYOCFKDVKPCAN-VQTJNVASSA-N	420.434	5.621	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)o2)cc1	524383032	JTJWNOFZSPNJTN-UHFFFAOYSA-N	414.505	5.215	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1nc2ccccc2o1	524627324	VQGIPCVZSXJFFJ-LJQANCHMSA-N	407.404	5.672	30	20	HKED	
C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](c2ccc(F)cc2)O1	525603748	CFGHACOAMRTWPH-XDHUDOTRSA-N	415.468	5.043	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1	533590974	PYQFLKZMYKUPMF-QGZVFWFLSA-N	411.933	5.464	30	20	HKED	
N#C[C@H](NC(=O)c1sccc1-c1ccccc1)c1ccc(OC(F)(F)F)cc1	535782760	PPSLTBLHEVYODW-KRWDZBQOSA-N	402.397	5.308	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1	536248933	KLUWJAKIMRXPSS-UHFFFAOYSA-N	410.788	5.124	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1[C@@H](C)C1CC1	537478128	PSGUVBHGNMTBJM-GUYCJALGSA-N	410.930	5.430	30	20	HKED	
C=CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)C1CC1	537928825	HWESCRCFAIICAR-UHFFFAOYSA-N	409.917	5.002	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	541795977	AVJBYANQTVVWOY-UHFFFAOYSA-N	421.476	5.232	30	20	HKED	
O=C(CC(F)(F)F)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543084676	PSCACFKNWPFJCA-SECBINFHSA-N	421.181	5.396	30	20	HKED	
C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	544656920	QALYSVVYHVSTSD-KRWDZBQOSA-N	421.460	5.146	30	20	HKED	
COc1cc(C#N)ccc1OCCCc1nc(-c2ccc(SC)cc2Cl)no1	545097282	JCNUKIOPYFGESB-UHFFFAOYSA-N	415.902	5.004	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1(C)C	546788545	UCXBCXBMOUIHAX-QUCCMNQESA-N	424.928	5.371	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1sc2ccc(C#N)cc2c1C	550626815	AYJPTWXQGUROKF-UHFFFAOYSA-N	405.523	5.627	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)C[C@@H](c3ccccc3)c3ncc[nH]3)c2)c1	553313548	PYFPBJLPLWDIOE-DEOSSOPVSA-N	422.488	5.021	30	20	HKED	
Cc1c([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)oc2ccccc12	558657131	MZOMXLAOLNZLGQ-QFIPXVFZSA-N	416.525	5.100	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c1	586916275	RMHTUNAOECQKJL-HSZRJFAPSA-N	412.493	5.049	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1	590073270	SFPVTKXOLOFEEL-XUVXKRRUSA-N	412.331	5.039	30	20	HKED	
C=CCc1ccc(OCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(OC)c1	594631889	OQDCVZOIYXLCQG-JOCHJYFZSA-N	404.510	5.038	30	20	HKED	
Cc1nc(C(=O)N(Cc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)ccc1C#N	603565780	REEAJUKBBBGFLY-OAHLLOKOSA-N	409.942	5.250	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	603860721	WJNNGCWRHTUMQV-MRXNPFEDSA-N	400.434	5.310	30	20	HKED	
Cc1cccc(OCCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	604003491	GNPNTMMQMLTYIH-UHFFFAOYSA-N	414.505	5.438	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nc2cc(Cl)ccc2c1=O	607023275	GFYBPLXRQAGOLF-GFCCVEGCSA-N	421.975	5.082	30	20	HKED	
CC(C)C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1	608864710	OHZLJNWZAFRRLQ-HXUWFJFHSA-N	403.448	5.506	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(C#N)cc1	609378625	ZIWFHZAYSQBZHP-UHFFFAOYSA-N	421.469	5.314	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCCc1nc2ccccc2s1	609428247	HNXDYBLLPCGKLN-INIZCTEOSA-N	409.580	6.042	30	20	HKED	
CC(C)CN(CCc1ccc(F)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	609436328	IYIMXZTXSZTKBC-GOSISDBHSA-N	413.562	5.953	30	20	HKED	
N#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cn1	609640464	PNAFJDXJWSXSDP-UHFFFAOYSA-N	414.465	5.063	30	20	HKED	
CCN(C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)[C@@H](C)c1ccc(C#N)cc1	610124666	JAPWJNHYAAYAAR-KRWDZBQOSA-N	406.530	5.010	30	20	HKED	
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	610674408	LIBFBKTVMBYDEV-PKOBYXMFSA-N	408.571	5.343	30	20	HKED	
CC(C)(C#N)CNC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	611620840	SLWUSXMIVQNEAK-UHFFFAOYSA-N	412.852	5.491	30	20	HKED	
CC(C)c1ncncc1C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	613394123	FRMWCHSIIKHVFK-OQLYILNASA-N	406.555	5.014	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccccc1SCc1csc(C)n1	615080679	NGKNYQNTLHWLDS-UHFFFAOYSA-N	424.591	5.581	30	20	HKED	
N#C[C@@H](NC(=O)C12CC(c3ccccc3)(C1)C2)c1ccc(OCc2ccccc2)cc1	616911225	JVFWHMXMHUIPBW-YXKBGSERSA-N	408.501	5.068	30	20	HKED	
O=C(Cc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157944	PHCZQPMOXWIAIK-VXGBXAGGSA-N	421.303	5.274	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1	683776022	IQRRKOINSITPEK-LJQANCHMSA-N	401.293	5.022	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	726474427	FHBAHQDVEFPWEZ-UHFFFAOYSA-N	403.507	5.947	30	20	HKED	
Cc1sc(NC(=O)c2ccc(-c3ccccc3Br)n2C)c(C#N)c1C	727662251	PPTBSRBHHHIHSB-UHFFFAOYSA-N	414.328	5.257	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc1OC	727763732	PMMYJJATTQGQDV-HSZRJFAPSA-N	417.505	5.179	30	20	HKED	
COCCOc1cccc(/C=C\C(=O)c2sc(-c3ccc(OC)cc3)nc2C)c1	727976019	ZYLQARLIRQMGQP-GHXNOFRVSA-N	409.507	5.048	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)COc1ccc(C2SCCCS2)cc1	729433859	UIMPZGROIKOFFL-UHFFFAOYSA-N	406.617	5.113	30	20	HKED	
N#C[C@@H](NC(=O)CSc1nc2ccccc2s1)c1c(Cl)cccc1Cl	730092640	OAMUXIILUFYEDZ-CYBMUJFWSA-N	408.335	5.076	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	730685987	LDYNNWCIPQAAMD-GVDBMIGSSA-N	411.288	5.478	30	20	HKED	
O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1cccc(C(F)(F)F)c1	730951208	LSHVCGNIFZRBPA-RMKNXTFCSA-N	416.351	5.472	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	731114259	LWNFNYXZDIKPHO-QGZVFWFLSA-N	418.566	5.831	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c(C#N)c2n1CCC2	731937599	JZALPGZGJZIJFB-VQHVLOKHSA-N	403.463	5.147	30	20	HKED	
O=C1/C(=C\c2nccn2Cc2ccccc2)CC/C1=C/c1nccn1Cc1ccccc1	734095688	GHBRKGJJHVHLKO-BOYKQRMESA-N	420.516	5.006	30	20	HKED	
C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc2ccccc2s1	734161578	MMQFKBZDYBBQHU-ZDUSSCGKSA-N	419.535	5.098	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1nc(-c2c(F)cccc2F)cs1	734966217	VMDDGSBNTKTZCW-SDDRHHMPSA-N	416.399	5.346	30	20	HKED	
COc1cc(CSC[C@@H]2CC2(Cl)Cl)ccc1OCc1cccc(C#N)c1	734981983	HZQQUBHGSZAHLS-KRWDZBQOSA-N	408.350	5.573	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1	739155695	SMLZHRRPGYCQSP-KUHUBIRLSA-N	402.416	5.109	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C)c1nnc(-c2cccs2)o1	740330008	YMTNBMRBQSVELA-NSHDSACASA-N	424.400	5.300	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	740782045	RVZXUYOMFCDSBQ-UHFFFAOYSA-N	415.877	5.210	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2nc(S)oc2c1	742251161	WTAGYIWBYUXLMD-UHFFFAOYSA-N	415.474	5.128	30	20	HKED	
C#CCOc1ccc(CN[C@@H](c2ccc(OC)c(OC)c2)c2ccccc2Cl)cc1	742377336	KOGUHMWVEYFIKP-VWLOTQADSA-N	421.924	5.248	30	20	HKED	
COc1cc([N+](=O)[O-])ccc1NN=Cc1c(C(C)C)nn(-c2ccccc2)c1Cl	746682143	QTIOJOFNOMHAFS-UHFFFAOYSA-N	413.865	5.012	30	20	HKED	
COc1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1	747155220	SSUBWIPHKQHNEP-QNGOZBTKSA-N	419.908	5.870	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccc(N2CCOC2=O)cc1	748583784	HAPCHNRCBONWQN-PKNBQFBNSA-N	409.894	5.921	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCc2cc(Cl)sc2Cl)c1	755318275	BXOKZZKGSLYYEU-HNNXBMFYSA-N	411.354	5.375	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cn(C)c4ccccc34)n2)cc1	756243680	LQSOLIFFYBEBDB-HXUWFJFHSA-N	415.518	5.119	30	20	HKED	
C#CC[C@@H](NC(=O)N(Cc1cccs1)Cc1ccccc1OC)c1ccccc1	757771551	GPHJZCCOWNPCNK-JOCHJYFZSA-N	404.535	5.233	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(Br)c(Cl)c1Cl	757941263	AVZHBJSETAKICK-UHFFFAOYSA-N	401.116	5.436	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2n1	760181742	AKBZXBGYRRYGMQ-NRFANRHFSA-N	421.456	5.297	30	20	HKED	
N#Cc1ccc(OCCCSc2nnc(-c3cccs3)n2Cc2ccco2)cc1	765347726	FYHDJEBWAYXCOL-UHFFFAOYSA-N	422.535	5.081	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C(C)C)ccc1OC	774447463	HOGOIRNPOHVHIL-KNQAVFIVSA-N	420.475	5.882	30	20	HKED	
C=CC[C@@H](C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1	778428823	UMMASBBEBUVPIN-HXUWFJFHSA-N	420.534	5.036	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1OCc1ccccc1Cl	780151699	QDYJOLJZMVFIGZ-INIZCTEOSA-N	406.869	5.462	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	780153295	WVIFNSBVAKHMTH-OYHNWAKOSA-N	424.472	5.728	30	20	HKED	
COc1ccc(SCCCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	781448503	SDJUOHXYIUJHAK-OAQYLSRUSA-N	418.518	5.068	30	20	HKED	
C#CCC1(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)CCCCC1	788451179	RCIPVOLNEZGOBK-UHFFFAOYSA-N	414.958	5.244	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl	789458177	ZCJBGBCYJQADFO-SZNDQCEHSA-N	404.913	5.575	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/C(=O)c3cccc(Br)c3[C@H]2C)cn1	792882824	AZWGTTZKEBNGOE-VZWMTCDZSA-N	421.294	5.298	30	20	HKED	
Cc1nn(C(C)C)cc1/C=C\c1nc(C)c(C(=O)/C=C/c2cn(C(C)C)nc2C)s1	798370238	HKZIYRCEQBSMFL-GOOGBFEESA-N	423.586	5.690	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C/C(=O)N1CCC(C#N)(c2ccccn2)CC1	800112246	IRHNQJSQFHCDHD-OUKQBFOZSA-N	413.521	5.268	30	20	HKED	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C/C(=O)c1ccc(C(F)(F)F)nc1O	806571107	DCTUHQAEEICGDM-STRRHFTISA-N	401.306	5.667	30	20	HKED	
CN(C(=O)c1cnc(Cl)c(F)c1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	808720230	QPCAEOHZXPRGGY-GFCCVEGCSA-N	414.708	5.269	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc(F)c(C(F)(F)F)cc3F)cc2)ccn1	810823375	OHVQBCNBUMAWBK-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cc(C(F)(F)F)ccn1	813211885	SLQLBCZQXRQOKK-SECBINFHSA-N	423.605	5.316	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(C(F)(F)F)cc1	813218040	LKZDMMBHDDXDGV-ABAIWWIYSA-N	400.322	5.489	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813219143	WWEBEHHKXVEWSB-JXFKEZNVSA-N	424.422	5.335	30	20	HKED	
CCc1ccc(-c2nc(COC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cs2)cc1	815477917	AXMDXWCKFAHPAD-UHFFFAOYSA-N	417.412	5.015	30	20	HKED	
CS(C)(=O)=Nc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1	864013317	OVCKFMNBVKZWLE-UHFFFAOYSA-N	405.523	5.108	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1	915087347	SNTMTPRWVAWILK-QFIPXVFZSA-N	410.502	5.042	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1ccc2ccccc2c1	916904260	ZKDYSGFFQFYEBB-QFIPXVFZSA-N	416.546	5.404	30	20	HKED	
Cc1cccc(OCCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917044152	QWMMDFZQUADENJ-INIZCTEOSA-N	418.440	5.659	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2ccccc2F)sc1=S	917458068	RCGYTCJSHGQZBL-UHFFFAOYSA-N	413.547	5.298	30	20	HKED	
N#CCOc1cccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c1	917643359	FUXDABYHYUDGLR-MOSHPQCFSA-N	402.500	5.148	30	20	HKED	
COc1ccc(/C=C\C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1OC	917774373	KXTSFDUWWQJKKO-WQLSENKSSA-N	416.502	5.054	30	20	HKED	
O=C(Nc1ccccc1SC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	919652736	DCEOSAPYWONVAE-RKDXNWHRSA-N	422.341	5.596	30	20	HKED	
COc1cc(/C=C2/CCOc3c(ccc(Cl)c3Cl)C2=O)cc(OC)c1OC	921138320	DVGBSUMUSYNYBE-WQLSENKSSA-N	409.265	5.068	30	20	HKED	
CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1	1789048934	UKNINGBPVBYQAI-OAQYLSRUSA-N	422.550	5.135	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCCCn3cccc3)cc2)CCC1	1789604900	VFLCZJUAORNGLW-HXUWFJFHSA-N	407.558	5.005	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4scnc4c3)CCC2)cc1	1791250090	HQDSRUKMSRLEQM-MRXNPFEDSA-N	419.550	5.256	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc(Cl)c4OC)cc3)CCC2)C1	1792145558	XCFGDZQYUQARTI-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826269040	VETNQBBASPHCSV-QHCPKHFHSA-N	416.650	5.569	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828410699	YTTWFLOPXGQMTA-OAQYLSRUSA-N	420.613	5.271	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1828829575	JMUUTLNMDFIERK-PKTZIBPZSA-N	414.634	5.201	30	20	HKED	
C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)CC1	1831855417	YMLRTKKTIXZYOG-GMKZXUHWSA-N	414.634	5.016	30	20	HKED	
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1ccccc1C#N	7163912	RITRJWPCBBLHPW-AWEZNQCLSA-N	406.511	5.025	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1	8471983	BSEFYUHVYLPNLP-MRXNPFEDSA-N	406.555	5.187	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c(C)c1	10399574	LAJIZTWICZYIPY-CQSZACIVSA-N	407.461	5.325	30	20	HKED	
C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(C#N)cc1	26131865	XGGYINLZWASPLX-CQSZACIVSA-N	424.426	5.131	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc2ccccc2s1	27150976	JLEFGEFJIMACLJ-UHFFFAOYSA-N	401.516	5.249	30	20	HKED	
C=CCOc1cccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1	56337619	ZXCWKKKWHGLZJT-UHFFFAOYSA-N	417.490	5.185	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COC2CCCCC2)c1	58436964	KAEUKCNRQYQIGE-UHFFFAOYSA-N	421.541	5.088	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	62392957	ZVQYSLAEMRSZFY-UHFFFAOYSA-N	412.383	5.152	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4Cl)c3)n2)cc1	64791819	WAZGIKPLZQEZQB-QGZVFWFLSA-N	418.909	5.448	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1	65473400	TUAJPFDOECBEAX-UHFFFAOYSA-N	420.538	5.367	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C	68887629	YJFCOSXYCSZHDZ-UHFFFAOYSA-N	408.310	5.314	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1	109152963	GKPNLRKNSIDJTG-GOSISDBHSA-N	415.541	5.158	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2n1	216395576	IWWQWJKUHRJXEG-GOSISDBHSA-N	403.894	5.810	30	20	HKED	
N#CCCn1cc(CNCC2(c3cccc(C(F)(F)F)c3)CC2)c(-c2ccccc2)n1	237740494	AWVBZAZLDPPTRY-UHFFFAOYSA-N	424.470	5.304	30	20	HKED	
N#Cc1ccc(C2(C(=O)N3CCC(F)(c4ccccc4C(F)(F)F)CC3)CC2)cc1	410101703	UNLNQUFPCDUDKC-UHFFFAOYSA-N	416.418	5.096	30	20	HKED	
C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(Cl)c1Cl	428734313	ABHWACQOFOGEME-CQSZACIVSA-N	413.308	5.262	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2NC(=O)c2ccsc2)s1	430592569	CHWDZNXIMWOFMW-HNNXBMFYSA-N	409.536	5.244	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1	431947674	AXHYUFYKWBVSIR-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2cccc(Cl)c2)C1	433319906	SKPUBQSDOOOGBE-SJLPKXTDSA-N	413.974	5.162	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cc([C@H]2CCCO2)nn1C)c1ccc(C(F)(F)F)cc1	433440250	RKRHUVQNXTUQDZ-SJLPKXTDSA-N	422.451	5.119	30	20	HKED	
COc1ccc2c(c1)c(C(=O)[C@H](C#N)c1nc3ccccc3o1)c(C)n2C1CCCC1	434425600	PYDPONDBULHHKD-IBGZPJMESA-N	413.477	5.705	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)cc1	435970389	WNGDNLKLLUDMDB-QLBJFCOMSA-N	410.542	5.309	30	20	HKED	
CC1CCN(c2cccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)CC1	438297261	HABKDMIJCPFSJQ-ZEQRLZLVSA-N	402.542	5.227	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1	438619341	MKAUKJPMIYFVQE-UHFFFAOYSA-N	421.566	5.132	30	20	HKED	
CCCc1c(NC(=O)Nc2c(C)cccc2C(C)C)cnn1-c1cccc(C#N)c1	439235702	IWFQESLJFZBCAE-UHFFFAOYSA-N	401.514	5.772	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1	439441514	PYBXPMXSOOXXPT-HNNXBMFYSA-N	407.876	5.454	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2csc3ccccc23)cc1	440495380	OXHPTCLECIBLSR-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1nc2c(s1)COCC2)c1ccc(C(F)(F)F)cc1	442043902	JUNRTJIPTHDYGH-AWEZNQCLSA-N	411.449	5.064	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1	442072755	NHQJHRMGJSLKLI-UHFFFAOYSA-N	418.266	5.148	30	20	HKED	
N#Cc1ccc(NC(=O)c2csc(Cc3ccc(F)cc3)n2)cc1C(F)(F)F	443881817	SUQQNUCLIZAKKQ-UHFFFAOYSA-N	405.376	5.016	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C[C@H]1c1cccc(F)c1	444174729	XSOAEFREBNHNOC-WWMYMODYSA-N	411.546	5.242	30	20	HKED	
C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nc(Cc2ccccc2)no1	444690127	QUKAXMMYJPYBSG-OAQYLSRUSA-N	422.532	5.211	30	20	HKED	
CC[C@@H](Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1ccc(C#N)cc1	448026356	HXOBGKAVWPCMCL-HXUWFJFHSA-N	412.331	5.120	30	20	HKED	
C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1cccs1	460957906	MUJNQQYBRQNLNC-OAHLLOKOSA-N	418.364	5.015	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1	463584191	VVEPKTPSDIZCOO-UHFFFAOYSA-N	424.369	5.050	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H]4CCC(=O)c5cccc3c54)cc2)cc1	464458786	JDGYLXNPHOPZJJ-LJQANCHMSA-N	408.457	5.265	30	20	HKED	
Cc1cc(C2CC2)nc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	464595306	YGWYPBWGXZZUAE-UHFFFAOYSA-N	404.857	5.232	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C(C)(C)C)no1	464920841	WYXGUGDEQKHBJA-CYBMUJFWSA-N	424.888	5.175	30	20	HKED	
C=CC[C@@H](CC)NC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	466403704	HINUZBRLZWOKDH-CQSZACIVSA-N	419.884	5.216	30	20	HKED	
C=CCN(C(=O)c1csc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	467853837	JGYYYZYMQZSZPB-UHFFFAOYSA-N	405.888	5.266	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1	468231205	VDLZWBIWACQRAE-UHFFFAOYSA-N	407.420	5.076	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)cc2)c1	469477551	HFHHLEHEWUYFSI-UHFFFAOYSA-N	407.429	5.162	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncsc1C(F)(F)F	471628659	NIWLJKRABOXOOB-UHFFFAOYSA-N	408.245	5.452	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3cc(Cl)ccc3SCC(F)(F)F)o2)c1	471656548	CXUWQIXPSFIQFW-UHFFFAOYSA-N	424.835	5.528	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(COCC(F)(F)F)cc1	475579059	SHCOWNKBQXDCGW-UHFFFAOYSA-N	420.475	5.939	30	20	HKED	
C=CCn1c(SCC(=O)c2csc3ccccc23)nnc1-c1ccccc1OC	475962047	ZGTMVBDRYYOXTJ-UHFFFAOYSA-N	421.547	5.329	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc(Br)cc1	476079291	JRFUZKLGYKLKJV-OAHLLOKOSA-N	402.332	5.707	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(OCc2c(C)noc2C)c1	476158491	OUACGPSMTHSJAP-UHFFFAOYSA-N	404.510	5.975	30	20	HKED	
CC(C)Nc1ccc(Br)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	476191547	IJLUGQJAKQZBOU-MRXNPFEDSA-N	400.320	5.295	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1	477103922	VLHXIFOZJFLNGO-IBGZPJMESA-N	402.523	5.060	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	480583015	GGTZWVMSLHFZHE-AUUYWEPGSA-N	403.404	5.545	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(NC(=O)CCC)c1C)c1ccc(F)c(F)c1	480844122	NWZQUAJPXHOKKW-NRFANRHFSA-N	401.457	5.451	30	20	HKED	
Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)o1	487474604	PHGFVYYWXAQHCS-UHFFFAOYSA-N	405.401	5.087	30	20	HKED	
C=CC[C@H](C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccccc1	488618924	JECLLQHBMSHGSR-XXBNENTESA-N	416.521	5.206	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)cc2)cc1	489821414	RCXUAOGPBZMPQH-GBXCKJPGSA-N	413.477	5.250	30	20	HKED	
COc1cc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc(OC)c1C(C)C	492178850	NCMHHENOPOTUSV-OAHLLOKOSA-N	413.543	5.865	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1F	494020411	YFPYWEGXVPSEKG-IBGZPJMESA-N	423.488	5.493	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@@H](c2ccc(Cl)cc2)c2cccnc2)cc1	496545984	ARYOJBDCCDZNCD-QHCPKHFHSA-N	406.913	5.552	30	20	HKED	
CCN(CC(=O)N[C@H](c1ccc(C)cc1)c1cccs1)[C@@H](C)c1ccc(C#N)cc1	497618399	OAOLWODHYRQQPR-UQBPGWFLSA-N	417.578	5.217	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1c(Cl)cccc1Cl	499829923	DGHQRUICQXJADJ-IOASZLSFSA-N	424.125	5.240	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](c3ccccc3C)C2)cc1C	504888972	MEXAMRICUFCKRE-JOCHJYFZSA-N	412.537	5.019	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CC2)cc1	505119786	KUPJQUUSFCPATR-UHFFFAOYSA-N	414.292	5.030	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)N[C@@H](C#N)c1cccc(Br)c1	506530017	FGEBELRKJUUYCA-HNNXBMFYSA-N	409.736	5.209	30	20	HKED	
N#Cc1cc(N(C#N)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1F	509070819	WWTALAVKGKSJJN-UHFFFAOYSA-N	402.376	5.327	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(C(F)(F)F)c1	511817735	PXONECOQPRSYHQ-CQSZACIVSA-N	414.383	5.240	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cscc2Br)cc1F	513716638	FSQACKVOAQLMJH-UHFFFAOYSA-N	417.259	5.566	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNc1ccc([N+](=O)[O-])cc1C#N	514220694	AKDLIHHYLSVDCU-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCCCOc1cccc(C#N)c1	518378401	ZFYBIMRDOOHWJL-HNNXBMFYSA-N	405.325	5.634	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCc4ccc(F)cc43)c2)cc1	518581084	SUWSEXBMUOZCSZ-DEOSSOPVSA-N	415.468	5.280	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519052823	JHJOCVZAZUGCOG-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
COc1cccc(C2(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCC2)c1	519450214	WLLMZGMQZWFIRV-SFHVURJKSA-N	423.582	5.580	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2	520388264	KHFROEDFIYWSFA-QRVBRYPASA-N	421.610	5.495	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1	521261755	YYUIYJQKIODRTE-GFCCVEGCSA-N	408.351	5.597	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1NC(=O)c1ccco1	521796437	DOTYGBJSRRLBMP-INIZCTEOSA-N	419.506	5.487	30	20	HKED	
C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1	521929501	YYPSUIBPIVTBRZ-KRWDZBQOSA-N	405.523	5.108	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	524679152	VTVBJOYKPVQMFN-QFIPXVFZSA-N	402.498	5.586	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1	525024533	VKVDALNFHNLGBM-UNMCSNQZSA-N	418.443	5.352	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(COC2CCCC2)cc1	525348756	YLGSLGGUHJCQCG-KRWDZBQOSA-N	409.555	6.184	30	20	HKED	
CCc1ccc([C@H](NC(=O)CSc2ccc(C#N)cc2F)c2cccs2)cc1	525629244	ZAHWXUQLCNREGT-QFIPXVFZSA-N	410.539	5.319	30	20	HKED	
Cc1cc2cc(NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc2[nH]1	526103651	CTULAHUVJUNVDQ-UHFFFAOYSA-N	424.460	5.026	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cccc([C@H]4CCOC4)c3)c2)cc1	535617339	NGIPLCGUWPJCTA-QHCPKHFHSA-N	412.489	5.088	30	20	HKED	
C=CCC[C@H](NCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1	538258297	UWLBVOHSWUXKBD-NRFANRHFSA-N	419.550	5.236	30	20	HKED	
COc1ccccc1SCC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541071449	YGKZBKBJLLCXPV-KRWDZBQOSA-N	402.519	5.203	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(C(C)(C)C#N)cc1	543003656	BEKRGNDJLZAZDO-UHFFFAOYSA-N	413.399	5.722	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)CC1	548906452	CEQCYKUJSGLKNT-QFIPXVFZSA-N	422.960	5.233	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)N3CCC(Sc4ccc(Cl)cc4)CC3)CC2)c1	552366769	ZIFJGDNEKCQZNO-UHFFFAOYSA-N	414.933	5.166	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2c(F)cccc2F)n1	553453529	AVGLSWVKQWAFGR-UHFFFAOYSA-N	416.497	5.084	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)n1	571726775	FWGUPMHEFFBLIG-LEWJYISDSA-N	402.523	5.107	30	20	HKED	
Cc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571769177	RIRNPBLGKPLCCP-SFHVURJKSA-N	400.482	5.149	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)on2)c1	579313553	ZDKPLUOZEYCFMR-UHFFFAOYSA-N	405.417	5.009	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](CCOC)C1	580500552	RLJPJSMLGGZYOG-KRWDZBQOSA-N	421.010	5.053	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCC(=O)N(CCCC)[C@@H]2c2ccc(OC)cc2)n1	584009118	ZKONFDLEMICBKZ-PZJWPPBQSA-N	411.546	5.179	30	20	HKED	
C=C(C)[C@H](NCc1cc(OC)c(OCC(F)F)c(OC)c1)c1ccc(F)c(F)c1	584195024	JQGFVVQOPLEXHV-FQEVSTJZSA-N	413.411	5.033	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](c2ccco2)C1	589365295	DYLXWKPRFCXVMD-IIBYNOLFSA-N	402.454	5.344	30	20	HKED	
Cc1cc(C)c2cc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)sc2n1	589807043	CIJBKCYBKMCVCF-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c2cnn(C(C)C)c2n1	592975316	ATGAVVROGPJDDP-OAHLLOKOSA-N	421.501	5.374	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)c4ccc(C#N)cc4)cc3)o2)cc1	603520213	WVLWELOPYNNAPY-KRWDZBQOSA-N	408.461	5.075	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1nc(O)c2cc(-c3ccccc3)sc2n1	603882588	XOSGMAMBCINPRL-UHFFFAOYSA-N	414.534	5.348	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccs1)c1ccc(F)cc1	603991104	WACSECPETOWTAR-UHFFFAOYSA-N	424.497	5.160	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1Cl	608841793	XUBGIXGDHKMYPI-NRFANRHFSA-N	401.897	5.806	30	20	HKED	
COc1cc(Cl)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609104037	CMYCDJXUSPVSRX-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	609437103	PJBDTQBGISGMAV-OYHNWAKOSA-N	423.538	5.125	30	20	HKED	
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C#N)cn2)cc1	609504375	WNKZXAMOIBXUNJ-UHFFFAOYSA-N	407.477	5.182	30	20	HKED	
C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	610335121	YFVZEOYIAAKLTK-HNNXBMFYSA-N	419.431	5.780	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](OC(F)F)C3)cc2Cl)cc1	611595453	KUIBSSMXRYHUMN-INIZCTEOSA-N	421.831	5.239	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1	612263425	FZAUSMFVQOUUOW-HSZRJFAPSA-N	402.519	5.982	30	20	HKED	
N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccc2ccccc2n1	613290946	POKFSBDGHLXICN-QFIPXVFZSA-N	401.469	5.728	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4Cl)on3)n2)cc1	613318286	UKRNADCHAXHVLA-INIZCTEOSA-N	419.893	5.917	30	20	HKED	
Cn1c(Cc2cccs2)nc2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)ccc21	672579959	FLPZFFUEHFZVMX-LJQANCHMSA-N	422.513	5.264	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674442174	GAKFYZHMBALKSY-FDYHWXHSSA-N	419.287	5.008	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N(Cc1ccccc1)CC(F)F	675261176	IUAGSBQLOOOCCY-UHFFFAOYSA-N	408.317	5.640	30	20	HKED	
CC[C@H](NC(=O)c1c(C(F)(F)F)nn(CC)c1C(F)F)c1ccc(F)cc1F	676178338	ZNNUELOXEHBZOL-NSHDSACASA-N	411.321	5.019	30	20	HKED	
Cc1cccc(CN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2ccco2)c1	725795401	PCNGFDBECJBETH-HXUWFJFHSA-N	415.518	5.076	30	20	HKED	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNc1ccc(OCC(F)(F)F)cc1	727262198	NNGCRTAQMQZVOE-UHFFFAOYSA-N	424.373	5.154	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1	729891978	PBURSKIFHSNWLX-ROUUACIJSA-N	419.481	5.050	30	20	HKED	
COc1ccc(N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC(C)C)cc1	731031033	PAHNBAHUNLRKPS-GOSISDBHSA-N	411.571	5.191	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc([C@@H]2C[C@@H]2C)o1	732765028	ZTFSTJBQCKJNQN-YVEFUNNKSA-N	423.925	5.685	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(Oc3ccccc3)c2)ccc1OC	733231225	XDJDDCVCHDJHFW-FQEVSTJZSA-N	416.477	5.098	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OCc3ccc(C)cc3)cc2)c1	733800284	LCPOQSRXYBVCIH-DEOSSOPVSA-N	400.522	5.545	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2s1	734113437	GJQJGXMPALFCGT-INIZCTEOSA-N	413.502	5.646	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2c(C(C)C)nn(-c3ccccc3)c2Cl)cc1	734157290	FPTWAYQNVVCODA-UHFFFAOYSA-N	423.948	5.569	30	20	HKED	
COCc1c(C(=O)OCc2cc(Cl)ccc2OCC#N)sc2cccc(F)c12	735339114	BDHUDGYQWXPQQS-UHFFFAOYSA-N	419.861	5.100	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	743095455	JJZDLRYEDGQHMC-DHIUTWEWSA-N	419.912	5.505	30	20	HKED	
C[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)c1cccc(F)c1	746126344	WZYIMLBMOYYDOW-HXOBKFHXSA-N	400.453	5.329	30	20	HKED	
Cn1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1-c1ccc(F)cc1	749174962	SHHFSEZMKJPOBU-CHWSQXEVSA-N	422.344	5.034	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(CCC(F)(F)F)c2)cc1C#N	752267750	GTFOFQALGPWGBT-UHFFFAOYSA-N	420.391	5.266	30	20	HKED	
C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)C[C@H](C)c2c(C)noc2C)c1	754531923	OQHKSSVUPJIEHH-INIZCTEOSA-N	419.477	5.186	30	20	HKED	
COc1ccc(-c2cnc(CON=C(C)c3nc4ccccc4n3C(F)F)o2)cc1	756854380	LGRZOQZGPUBRJP-UHFFFAOYSA-N	412.396	5.036	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	760793233	ZYPKCZKMNSQPMX-UHFFFAOYSA-N	400.331	5.065	30	20	HKED	
N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1	766264787	RGPKJQYACCVLHI-PMZIWESGSA-N	422.447	5.800	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F	774342933	UWQZRMVAKQFTQB-CYBMUJFWSA-N	420.774	5.012	30	20	HKED	
C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1ccccc1OCc1ccccc1	775208318	XIOCHPVWUWHVCA-GOSISDBHSA-N	406.913	5.672	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](COCc1ccccc1)c1ccccc1	775455943	WAADROSVXPMLLW-QHCPKHFHSA-N	406.913	5.290	30	20	HKED	
CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc21	776954329	CNXRBTDASJOHTQ-UHFFFAOYSA-N	417.509	5.034	30	20	HKED	
Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc2)cc1	777177772	RBTVMJKUXWAARH-HSZRJFAPSA-N	410.473	5.087	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)ccc21	777290227	FAXHGHOGQVKMAN-MRXNPFEDSA-N	419.506	5.084	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1Oc1ccccc1C#N)c1nnc(-c2ccccc2)o1	778178173	OTBDGUJOBHMQQD-MRXNPFEDSA-N	411.417	5.319	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1	778298318	PZEHHKADWTVCAK-IBGZPJMESA-N	420.852	5.102	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1	779713407	SLMBBMBLEKYZHQ-ZWKOTPCHSA-N	401.466	5.209	30	20	HKED	
CC(C)c1ccc(OC2CCN(C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)cc1	780675293	PJPWHZODFNWTHQ-SFHVURJKSA-N	407.514	5.176	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1ccccn1)c1cc(Br)cs1	782368685	IQUBTUZWWFOVAP-HJWRWDBZSA-N	400.297	5.381	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)c(-c2ccncc2)n1	788347297	AHQLYJVCJNGXCP-RQOWECAXSA-N	402.841	5.154	30	20	HKED	
N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1cnc2ccccc2n1	792109868	VZTRQMWYSFTTAX-WJQTUHTMSA-N	401.775	5.105	30	20	HKED	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	798447245	QOVZLDCKIBZBSZ-UHFFFAOYSA-N	414.534	5.048	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1Cc2cccc(Cl)c2C1	806252425	BVMPHJQKILIFTK-UHFFFAOYSA-N	417.896	5.647	30	20	HKED	
Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	806263083	ARBLDIWGDAGJHI-SBUREZEXSA-N	423.582	5.224	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)n1	810520104	RQRKGSGWNTWUSA-LLVKDONJSA-N	419.934	5.522	30	20	HKED	
N#CCCCOc1cccc(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)c1	864003444	RRZKKNHMCYDRDS-UHFFFAOYSA-N	411.933	5.261	30	20	HKED	
O[C@@H](c1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(F)(F)F	864042699	AWPFSNQVWKYDDB-AWEZNQCLSA-N	417.271	5.932	30	20	HKED	
Cc1cc(NN=C2C(=O)Nc3c2ccc(Cl)c3Cl)nc2ccc(Cl)cc12	914694106	XYIVPZSVMIKTFT-UHFFFAOYSA-N	405.672	5.272	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1	915086765	NFYGKIOTWUWRGL-FQEVSTJZSA-N	418.880	5.409	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2cccc(Br)c2)cc1	915124633	SWRAAWKLMAYOKN-FQEVSTJZSA-N	422.351	5.913	30	20	HKED	
O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1ccc(F)cc1F	916127599	QIVQQLWMAVZGKT-DAFODLJHSA-N	418.031	5.092	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2F)cc1OC	916141176	CXCXEJOZIWPLKH-VMPITWQZSA-N	423.278	5.290	30	20	HKED	
CCCOc1ccc(Br)cc1/C=C\C(=O)c1ccc(OCC#N)cc1	916152274	VGRMQZUHGHUUPC-UITAMQMPSA-N	400.272	5.036	30	20	HKED	
O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ccc(F)cc1	916268148	MMUVYEKGTZIWIO-UHFFFAOYSA-N	424.435	5.231	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(-c2ccccc2)s1	916946218	NQZMZUYLVWSJLQ-HNNXBMFYSA-N	416.289	5.078	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2CSC)cc1	916947619	OTACYDTYIITQFX-HNAYVOBHSA-N	420.534	5.770	30	20	HKED	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917040261	JDTKPMZQIDIZLP-PBHICJAKSA-N	411.452	5.373	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)c1	920108198	CFAWYLODCKPCDY-JOCHJYFZSA-N	418.880	5.189	30	20	HKED	
C=C(Br)CNC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	921115685	JLLRUIQAWZTFLI-JTQLQIEISA-N	410.164	5.003	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)c1ccc(Cl)cc1	1792816946	CYGAPSDSEMPLAO-RZXSNQJFSA-N	416.993	5.074	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1824139031	ATGVQHFUGXCKPS-NRFANRHFSA-N	414.615	5.058	30	20	HKED	
COc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1ccccc1C#N	15555396	POZWOXFPUOOSAC-UHFFFAOYSA-N	408.457	5.551	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(F)cc1	16835674	UCKJWCAYDONGOE-INIZCTEOSA-N	424.545	5.513	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(CC)CC)cc1	22805408	OSCWEBVNYLVPGK-UHFFFAOYSA-O	409.619	5.305	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1	25440310	SZFCNKHMOILYQC-UHFFFAOYSA-N	416.378	5.084	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SCCC(=O)Nc3cccc(C#N)c3)o2)cc1	26409153	KYIVYPPUERZGPG-UHFFFAOYSA-N	406.511	5.027	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	32617159	ULARQGZIUXNYNG-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(-c2ccccc2)cs1	410302946	OLQGZPLCAGARQU-KRWDZBQOSA-N	409.514	5.840	30	20	HKED	
CCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H](C)Cc1ccsc1	429159141	FEPVYLYEPZSRHQ-ZDUSSCGKSA-N	411.449	5.046	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cnn([C@H](C)C2CC2)c1	429374509	VWCVNYOJKSAJTF-MRXNPFEDSA-N	401.470	5.471	30	20	HKED	
C[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)CCN1Cc1ccccc1	430661636	PYRXPYKNDNQLDB-OFNKIYASSA-N	409.533	5.008	30	20	HKED	
N#CCCn1cc(CN2CCC(c3cccc4ccccc34)CC2)c(-c2ccncc2)n1	435124153	MKCXZNPJRWZTKL-UHFFFAOYSA-N	421.548	5.392	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccc(C(F)(F)F)cc1	441541719	KQJFNSQOTNLWSY-GDJIYFAZSA-N	409.473	5.021	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)[nH]c12	442731859	KPVYHHAWWLDABN-INIZCTEOSA-N	405.379	5.446	30	20	HKED	
COc1ccc(CN2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)cc1C#N	447069897	URJAXTYRIWIRFS-GOSISDBHSA-N	419.550	5.079	30	20	HKED	
CC[C@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1	447603464	XSBYMORRQSXQNN-ZWKOTPCHSA-N	411.265	6.055	30	20	HKED	
C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1cccc(Br)c1	460806710	XKUHOHQBTPLJRC-LJQANCHMSA-N	424.346	5.020	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CNc1c(C)cccc1C	461084760	IRAQSWIJZNIHPE-UHFFFAOYSA-N	401.485	5.268	30	20	HKED	
C=CCc1cc(CN[C@@H](c2ccccc2Cl)c2ccccc2OC)cc(OC)c1O	462726008	FPQTVZMHMGPMKK-DEOSSOPVSA-N	423.940	5.671	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	463873039	ALDKORKAEIDNDI-INIZCTEOSA-N	402.425	5.337	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	465659110	LUOHJQHMQCPNDU-RTBURBONSA-N	413.521	5.697	30	20	HKED	
CCCCOc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1Cl	466906682	QYXKHYZWFUWROE-UHFFFAOYSA-N	408.933	5.081	30	20	HKED	
CC(C)C[C@H](CCO)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	467610467	KAVWCGMQUXLXNJ-LAUBAEHRSA-N	413.949	5.162	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)no1	468842372	DHGDNPRLTSMFMO-UHFFFAOYSA-N	418.400	5.013	30	20	HKED	
CC[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[C@H]1c1ccccc1	470012965	LFQBTLZJDQTTJW-HYBUGGRVSA-N	414.505	5.386	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](c2ccsc2)O1	470754160	HIMKVRCLEFQXEE-IIBYNOLFSA-N	420.559	5.373	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1	471940776	JSGIZVWHTIDSLM-FCHUYYIVSA-N	402.494	5.023	30	20	HKED	
N#Cc1ccc(CCC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	474257882	GWMAIRQVPDXAET-KRWDZBQOSA-N	414.349	5.320	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccco1	476373263	BMBQKPGXEIRLFL-UHFFFAOYSA-N	423.325	5.152	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CC=C(C(F)(F)F)CC1	482311084	PFGKCKHCTLANGY-GFCCVEGCSA-N	420.275	5.213	30	20	HKED	
N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nccc2ccccc12	483196920	LMRGUWLVOPHWPM-IBGZPJMESA-N	421.485	5.034	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	483218668	HTQDLWKVUIQURH-LERXQTSPSA-N	400.338	5.192	30	20	HKED	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1C(C)(C)C#N	486811064	KPQRFQYFAOHUSD-UHFFFAOYSA-N	408.933	5.603	30	20	HKED	
CC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F	487345757	NHAUIURNBIPWAD-HNNXBMFYSA-N	401.441	5.450	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1nnc(-c2c(Cl)cccc2Cl)o1	489726840	FRBFEKOCEIXRQD-GFCCVEGCSA-N	419.337	5.907	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccccc2Cl)o1	497490028	ICVDIXYRCPHNII-UHFFFAOYSA-N	421.349	5.857	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	504012587	GOUAHBSUTQAMOH-UHFFFAOYSA-N	403.869	5.105	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1	505891073	HPURALRCLBVTPV-UHFFFAOYSA-N	402.425	5.169	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21	506390576	YPIRIDZWBMEQEM-JXFKEZNVSA-N	423.586	5.449	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)Cc1c(F)cccc1C#N	506788578	BLULOCMUOPZYGW-UHFFFAOYSA-N	408.404	5.127	30	20	HKED	
N#Cc1c(NC(=O)Cc2ccc(OCc3ccccn3)cc2)sc2c1CCCCC2	506834998	BJAATKUYULQHEY-UHFFFAOYSA-N	417.534	5.044	30	20	HKED	
C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(c2ncc(C)s2)CC1	508490903	DLJBFQTYYXNWGG-UHFFFAOYSA-N	405.527	5.026	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(OCCC(C)C)CC1	508908887	WKWDEFNAHQCSRV-UHFFFAOYSA-N	414.619	5.096	30	20	HKED	
CCN(C(=O)Cc1c(C)[nH]c2ccc(Br)cc12)[C@@H](C)c1ccc(C#N)cc1	509584466	NMEMEIKPUIDLBB-HNNXBMFYSA-N	424.342	5.263	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C	512495945	FZZUNKPHGBZTRU-OAHLLOKOSA-N	415.559	5.778	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)NCC(C)(C)CCC#N)c1	513119528	ZPJBGXZDMFVGSO-PKTZIBPZSA-N	405.542	5.265	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cs2)cc1	513656027	WSPBXZUXRBJKHZ-HNNXBMFYSA-N	405.504	5.309	30	20	HKED	
CC(C)(C)c1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513961885	MWHFWUDAPYMYQU-UHFFFAOYSA-N	415.512	6.229	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc2c1	515447822	IHIPMMMENLIOBD-UHFFFAOYSA-N	420.472	5.228	30	20	HKED	
Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nnn1-c1cccc(Cl)c1	515689194	KCTFCTSCVCRSTB-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	517528986	DLDOLDHRUOZVOP-VQIMIIECSA-N	423.538	5.221	30	20	HKED	
CCOc1ccc(-c2noc(CNc3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1	517933681	JSDRTPSKSGUKGQ-UHFFFAOYSA-N	412.449	5.411	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)c1ccccc1Cl	518255994	MHJHRCPSPQLUQE-HNNXBMFYSA-N	401.963	5.834	30	20	HKED	
Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)s1	518363119	WFNNVZCSXIDSPY-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
COc1ccc(C)cc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N	518667489	BMCQZRQMLAZHOX-MRXNPFEDSA-N	400.569	5.127	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Cl)c2cccnc12	519422793	LUOLNIAJAHMINJ-AWEZNQCLSA-N	411.914	5.157	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	519516650	WVPOCROFOFHWSO-HUUCEWRRSA-N	410.568	5.390	30	20	HKED	
C=CCn1c(SCc2ccc(SC)c(OC)c2)nnc1-c1ccc(F)cc1	520252554	XHBUKJLJTANNJK-UHFFFAOYSA-N	401.532	5.293	30	20	HKED	
COc1ccc(CCCCCC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1	520337436	VQVNGLOWEQWSLR-UHFFFAOYSA-N	420.553	5.176	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCCCOCc2ccccc2)cc1	520729954	BABNCCXOFBXXRL-UHFFFAOYSA-N	418.468	5.216	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)n1	524377358	CBOCDRHRDLAOBW-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
C=CCN(C(=O)c1ccc(OC2CCOCC2)cc1)c1nc(-c2ccccc2)cs1	525118894	HMJRCASUUJSJAF-UHFFFAOYSA-N	420.534	5.201	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NC2(c3ccccc3)CCOCC2)cc1	531361698	NLTUHRPIJOTXGG-UHFFFAOYSA-N	414.530	5.145	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1	533504408	IEFXSQHHBSHWAU-XMMPIXPASA-N	403.551	5.001	30	20	HKED	
COc1ccc(CSc2nnc(SCCCC3(C#N)CCOCC3)s2)cc1	539669805	JDNFIDVEVJSOKE-UHFFFAOYSA-N	421.613	5.032	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1	539725963	SZTVNVBOYSBVGW-UHFFFAOYSA-N	413.437	5.216	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1nccnc1Sc1ccccc1	543141866	MVXWZKAWADFWHT-HNNXBMFYSA-N	406.536	5.132	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1)c1ccccc1	543467838	AWCABUVSWJIQLA-UHFFFAOYSA-N	417.896	5.060	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ncc(-c2ccccc2)[nH]1	543880876	VCMSLOLWKWTDJU-WMZOPIPTSA-N	419.554	5.744	30	20	HKED	
CO[C@@H](c1cccc(Cl)c1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1	545741553	UOSJDUNDCTXSTI-YRBAHSOBSA-N	418.884	5.498	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NC3CC(C(F)(F)F)C3)cc2Cl)c1	558321615	OEZWFIUGLOBZNE-UHFFFAOYSA-N	423.822	5.253	30	20	HKED	
C=CCN1C(=O)N(c2ccc(-c3ccc(Cl)s3)nc2)C(=O)[C@@H]1Cc1ccccc1	561054908	KPDNLRFNMGIDMW-SFHVURJKSA-N	423.925	5.029	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1C	567533624	PNNMECMPGXXKJE-LJQANCHMSA-N	423.532	5.176	30	20	HKED	
C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1nc(-c2ccc(Br)cc2)cs1	570322493	BRYRWTXBYNIGIH-ORAYPTAESA-N	424.367	5.782	30	20	HKED	
N#CCCCn1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc21	573193471	VGZWHUICTYUGGA-INIZCTEOSA-N	417.419	5.180	30	20	HKED	
C=CCc1ccc(OCc2nc(-c3cccnc3Oc3ccccc3)no2)c(OC)c1	598774686	JKJFVDISXZWTJT-UHFFFAOYSA-N	415.449	5.240	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cn2)cc1	603690148	WYKAXRAEPXVLLF-OAQYLSRUSA-N	418.884	5.768	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1-c1ccccc1	604003570	FYLRRYZJLFRJCT-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
Cc1ccccc1[C@H](C)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	604086113	ZDUKALPWZPAJCZ-SFHVURJKSA-N	412.493	5.344	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)C2CCCCC2)cc1Cl	604566638	NMROMEMCADZLER-OAQYLSRUSA-N	423.944	5.021	30	20	HKED	
C=CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)c1nc(-c2ccccc2)cs1	606757927	SEVYYUAWYSDAGP-UHFFFAOYSA-N	417.559	6.075	30	20	HKED	
CC(C)[C@@H](C)N1Cc2cccc(N[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c2C1	609041054	BMZMQHQSOSGWIU-JKSUJKDBSA-N	410.949	5.011	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cnccc3Oc3ccccc3)o2)cc1	609060065	SYNIWBQSAUNOBE-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
CCN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1	609166500	DWTXAUOHTLJXAR-LJQANCHMSA-N	411.505	5.058	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(-c2ccsc2)n1	609236271	QGVLLRUKOUYWGG-UHFFFAOYSA-N	405.957	5.269	30	20	HKED	
Cc1ccc(N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C2CCCCC2)nc1	609375636	GJSKPJFHKFCQAJ-UHFFFAOYSA-N	415.493	5.413	30	20	HKED	
N#Cc1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C(F)(F)F	609448916	KBSUTGWVMKMFMY-UWVGGRQHSA-N	404.276	5.898	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(OC)c1	609723430	SPCIUAKDLUNPNI-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CN1CCC[C@H](CNc2ccc(Cl)c(C#N)n2)[C@H]1c1ccc(C(F)(F)F)cc1	609797662	KFLXCSVHLDFJNL-AUUYWEPGSA-N	408.855	5.120	30	20	HKED	
CC(=O)N(C)c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609818678	ABQZPHDGTOKEGE-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)C3(Cc4cccc(Cl)c4)CCCC3)CC2)c1	610174745	ZMTKSAJZBZBLCV-UHFFFAOYSA-N	422.956	5.385	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1N1CCCCC1	610631219	JWZNKROLOJXKHE-UNMCSNQZSA-N	406.505	5.120	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1C	613346778	QTKFKPGFDWASAU-HNNXBMFYSA-N	404.322	5.562	30	20	HKED	
Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C(F)(F)F	618540687	XGJBOOMOHFSSDL-UWVGGRQHSA-N	422.291	5.608	30	20	HKED	
O=C(Cc1c(F)cccc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642157186	MVTDOYMUVNZYPH-IUCAKERBSA-N	405.741	5.047	30	20	HKED	
FC(F)(F)c1ccc2oc(CN3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)nc2c1	675891435	KHHAZRKHEGPCDI-DTORHVGOSA-N	406.248	5.019	30	20	HKED	
N#C[C@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nccc2ccccc12	682993913	CNQCKLJQCXQNDZ-NRFANRHFSA-N	406.489	5.315	30	20	HKED	
CN(CCCNC(=S)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	726461501	UGTCOANKGJAIJN-XMMPIXPASA-N	414.578	5.155	30	20	HKED	
COc1cc(C(=O)/C=C\c2cccc(OCCCC#N)c2)ccc1SC(F)F	726740575	KRBOYLRHZTWFPV-CLFYSBASSA-N	403.450	5.589	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1	726754385	FFOTWVFCBLKSNG-JQIJEIRASA-N	409.411	5.244	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728764122	NHHPZKCWHMOZGZ-QFIPXVFZSA-N	419.440	5.346	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1csc2ccccc12	730029025	DQMNPGAIYWLYBK-MRXNPFEDSA-N	405.523	5.087	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)n1	730393844	DCFIAGJFUVFODA-KXBFYZLASA-N	400.475	5.440	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	730988930	FIPOLYDZLPPQNI-MRXNPFEDSA-N	424.526	5.089	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)O[C@H](c3ccccc3)c3ccccn3)cc2)nc1	731966369	MRBSLFIOEXOTIT-XMMPIXPASA-N	407.429	5.087	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(Cl)s1	733204533	SDCAAKBVSCSKOM-UHFFFAOYSA-N	411.840	5.499	30	20	HKED	
N#C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccc1Br	733265895	BWPQKZBSQFUEOG-ZDUSSCGKSA-N	405.704	5.312	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21)c1ccncc1	734683245	KBDHPFOHHOIRHM-FTJBHMTQSA-N	411.549	5.907	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1	735790659	ONUOTNQLWIFOGT-QGZVFWFLSA-N	400.507	5.031	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	739157827	XCTHVHXKRLMQKG-NHYWBVRUSA-N	422.859	6.024	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ncc(-c2ccccc2)o1	740435971	YNFKIVBKKVMIQJ-WZONZLPQSA-N	422.488	5.880	30	20	HKED	
O=C(/C=C\c1cncc(F)c1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	740786789	XAVDRAZNKZQRHR-RJRFIUFISA-N	424.341	5.546	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@@]12CCc1ccccc12	744028012	CTGCTPJLXJOTEX-ZVUIFXONSA-N	422.484	5.030	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2csc(C)n2)c1	744028555	JVONJSSNVVRVRT-FQEVSTJZSA-N	417.534	5.205	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3cccc(F)c3F)n2)cc1	744063194	YWTLRDOXVVIGAT-YESZJQIVSA-N	410.445	5.077	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	744354010	NPCUIIUQITXYPB-UHFFFAOYSA-N	416.861	5.095	30	20	HKED	
CCCOc1ccc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)c(OCCC)c1	748585509	ZVMYMCHXADFLGX-WQLSENKSSA-N	409.482	5.117	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)C1	753157569	WKLQCQZEGWHCPB-DEOSSOPVSA-N	412.518	5.277	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	756244686	VNXSUOQJLPYBGA-DOMZBBRYSA-N	403.429	5.175	30	20	HKED	
C#CC[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1	757614062	GVCWKRNGBUNPMX-QHCPKHFHSA-N	422.484	5.108	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl)c1ccncc1	760171556	UDAMPDFQGHQQLW-MOPGFXCFSA-N	415.969	5.060	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C\C(=O)c2cc(Br)ncc2F)ccc1OC	762426499	PSHCSZWPDQUNHT-HWPRWLFBSA-N	408.267	5.065	30	20	HKED	
N#C[C@@H](C(=O)COC/C=C/c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	763481582	ULCFLWHDLBJQLE-RRGWEWPQSA-N	416.424	5.221	30	20	HKED	
CC(C)c1cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nn1C(C)(C)C	764750700	QAMYLCDVXHVRHR-UHFFFAOYSA-N	424.332	5.089	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccccc3C)C[C@H]2C)c1=S	765002414	ODTHSBMADXXHJK-TZIWHRDSSA-N	419.598	5.196	30	20	HKED	
COc1ccc2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2c1	770110300	KIVGTBPVGOIXTE-INIZCTEOSA-N	407.882	5.305	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1	772647282	XBBPZJZLPSJRNX-KKSFZXQISA-N	410.945	5.381	30	20	HKED	
O=C1C/C(=C\c2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)c2ccccc2N1	774147254	YYTSQTGFORKEOP-FOWTUZBSSA-N	416.864	5.201	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3scnc3Br)c2C#N)C1	775611471	UPUBTZIVDMJOLS-SECBINFHSA-N	424.389	5.242	30	20	HKED	
CCc1c([C@@H](C)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)oc2ccc(C)cc12	776165941	YRHXUKGEKGRRLJ-MJGOQNOKSA-N	406.526	5.844	30	20	HKED	
COc1cc(CNc2ccc(F)cc2OCC#N)ccc1OCc1ccc(F)cc1	779609233	KQMHGRPMRDRMJK-UHFFFAOYSA-N	410.420	5.067	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)nc2ccccc21	781443821	DXCGTELEKALVJE-ZDUSSCGKSA-N	417.818	5.154	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	789451577	YVBFQJWYPNXJOB-GOSISDBHSA-N	401.551	5.060	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1	789451641	ZXSUAYKLBTVKPX-FQEVSTJZSA-N	421.541	5.550	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(CCC(F)(F)F)Cc2ccccc2)c1=S	790479933	XZYSIRCJONVFGU-UHFFFAOYSA-N	422.476	5.272	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)[C@@H](C#N)c2nccc3ccccc23)cc1	792100106	KBOCBBIBDZPFHE-JOCHJYFZSA-N	400.478	5.253	30	20	HKED	
C=CCC(C)(C)C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1	796755839	LROMLZIWGNQUTA-UHFFFAOYSA-N	402.288	5.209	30	20	HKED	
C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(C(F)(F)F)cn1	798928739	ZSFNLYPTLLLCNW-AWEZNQCLSA-N	401.388	5.277	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)OCc1nc(-c2ccccn2)cs1	800342671	UJWLZLNTADUVCS-UHFFFAOYSA-N	413.458	5.226	30	20	HKED	
C#C[C@@H](NC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1F	805777030	YYNCLJSJFQSYAI-CHWSQXEVSA-N	419.831	5.079	30	20	HKED	
C[C@@H](CCOCc1ccccc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	806200420	CZUBVIKLYBSATC-CPJSRVTESA-N	413.521	5.459	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccccc1	809128131	OIJQOJARWKDWGN-YJBOKZPZSA-N	415.333	5.940	30	20	HKED	
C#C[C@H](NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1	812157705	JOZVUHAVDDBZTK-SFHVURJKSA-N	414.292	5.131	30	20	HKED	
O=C(OC(C(F)(F)F)C(F)(F)F)c1sc(-c2ccccc2)nc1C(F)F	816220424	XVGBWADXBKBGLJ-UHFFFAOYSA-N	405.266	5.398	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(C3OCCO3)c2)c1	819532025	PSJWGPHTHKLQFA-UHFFFAOYSA-N	420.852	5.302	30	20	HKED	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(C2CCCCC2)cc1	917505295	LNCKTAJGNUMIJD-FQEVSTJZSA-N	420.509	5.061	30	20	HKED	
C=CC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1	917599506	SNPLROFQDREYQX-OAHLLOKOSA-N	407.539	5.148	30	20	HKED	
N#C[C@@H](C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)c1ccccn1	920107512	AWYWZTNBBSQYMZ-OAHLLOKOSA-N	421.287	5.282	30	20	HKED	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920140310	BIBBXROMAZVCRN-WMLDXEAASA-N	421.909	5.287	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1	1791325659	RZMDBRNUUYBLGJ-QHAWAJNXSA-N	406.570	5.140	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccccc1	4285821	JNAUCZJZMTZRMF-ROUUACIJSA-N	420.582	5.764	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1c(C(C)C)cccc1C(C)C	6126818	HKTZCLIPFPDULS-UHFFFAOYSA-N	400.906	5.485	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1cccc(C)c1C	10168042	UUSIWARHKQLEGE-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc(C)cc1	24566677	OIAGIFMYXAGAQW-UHFFFAOYSA-O	417.554	5.179	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1NC(=O)c1ccccc1	41498293	CHVSBINSIZRTQW-GOSISDBHSA-N	411.486	5.347	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3cccs3)c2)c1	48125593	AAEPVLDFRRGIOZ-FQEVSTJZSA-N	416.506	5.241	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2cccs2)cc1	48161555	KWALOOYEKPXBIO-QFIPXVFZSA-N	417.534	5.762	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCc1nc(C(C)(C)C)no1	56470253	MQIOQYKKANMKBK-UHFFFAOYSA-N	418.497	5.301	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	97543245	HYTXEJXMFWDCDK-IBGZPJMESA-N	413.521	5.700	30	20	HKED	
N#Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)c(C(F)(F)F)c1	112666944	CJJVSGRZVFDMBL-UHFFFAOYSA-N	419.410	5.437	30	20	HKED	
COc1cc(C(=O)/C=C\c2cccc(OC)c2OC(F)F)ccc1SC(F)F	214930417	HHEREFWCXVBRQH-VURMDHGXSA-N	416.392	5.516	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cc3ccccc3nc2N2CCCCC2)c1	237024160	XNEOYTAIOGWURT-QHCPKHFHSA-N	414.553	5.196	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1	237828322	VUVQHCKFWCBAIH-HHHXNRCGSA-N	412.533	5.573	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2cc(Br)ccc2o1	303247054	AYDRXPRUJHWHHV-LBPRGKRZSA-N	415.312	5.699	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1	303293992	BHQYYACEZHRBSH-ZWKOTPCHSA-N	421.566	5.706	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)cc1	303373571	KQBWWPDBLRJLIN-ZDUSSCGKSA-N	404.333	5.023	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1	410409414	UVENVRPKWDIWQN-UHFFFAOYSA-N	414.836	5.025	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1	426097324	FLDHSYRAHMTRMH-QGZVFWFLSA-N	424.570	5.092	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cc(Cl)ccc1Cl	426116014	CFXCTSFYMNMMNX-KGLIPLIRSA-N	422.381	5.534	30	20	HKED	
CCOc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(C(F)(F)F)c1	432772992	BLKYOAMRANFSKD-UHFFFAOYSA-N	404.413	5.751	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1	436345276	YLLTUSWECLINFL-YEWWUXTCSA-N	401.482	5.427	30	20	HKED	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)CCO2	437658140	SZXSCZKHYXMRGR-HSZRJFAPSA-N	413.477	5.125	30	20	HKED	
CCCc1c(N[C@H](C)c2ncc(Br)s2)cnn1-c1cccc(C#N)c1	439052636	UTFIACIYHFUKKL-GFCCVEGCSA-N	416.348	5.089	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCC3CCC(C#N)CC3)cc12	441148283	SJRWWSBHIUXVRK-UHFFFAOYSA-N	412.946	5.109	30	20	HKED	
CC(C)(C#N)CCCCN[C@H](Cc1ccccn1)c1ccc(Br)cc1	444700884	GKDQSXQSHHMMLK-HXUWFJFHSA-N	400.364	5.438	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(C)cccc1OC	446292199	GJFJZYLADNKKBU-UHFFFAOYSA-N	407.283	5.125	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c2ccc(F)cc2O1	460296054	LFYKCQSQYRCBQJ-AWEZNQCLSA-N	406.388	5.056	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1cc(C(F)(F)F)ccn1	464469574	SRVHFYKDIKVZBZ-KRWDZBQOSA-N	401.775	5.306	30	20	HKED	
Cc1nccn1CCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	466003149	DULBGCVJLWTWHO-UHFFFAOYSA-N	423.904	5.111	30	20	HKED	
CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C12CCC2	466041828	SAODCWSILBTCAJ-FCHUYYIVSA-N	405.498	5.128	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	466072777	DGCILZVMVFXDBZ-HNAYVOBHSA-N	424.035	5.244	30	20	HKED	
C=CCOc1ccc(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1OC	466451425	IRNCBNLRHAOPQH-FQEVSTJZSA-N	420.578	5.279	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1ccc(SCc2csc(C)n2)cc1	469936337	VOJIJCXFRKDIJD-UHFFFAOYSA-N	408.552	5.300	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	475545356	JHXXUEHBVSZQFI-DEOSSOPVSA-N	401.554	6.779	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(OCCc2ccccc2)CC1	475566616	UHEUHZJUWSAYAT-UHFFFAOYSA-N	406.570	5.794	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccccc2OC)o1	476078110	GTMUOBJZRJNYEY-UHFFFAOYSA-N	405.494	5.971	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(-c3cncnc3)cc2)cc1	480855346	VQQIWBGLTWVXGF-UHFFFAOYSA-N	408.486	5.419	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2cnc3ccccc32)cc1)c1nc(-c2ccncc2)cs1	480970664	LOULFVLVRYQZCN-IBGZPJMESA-N	421.485	5.034	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1ccc(C#N)s1	484469572	RIUSXJVZAJMOAU-RVDMUPIBSA-N	401.516	5.311	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCc1cc(Cl)ccc1Br)c1ccccc1	487577816	VMQOEWMQVLDHTJ-LJQANCHMSA-N	419.750	5.586	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC3	492183018	XODNWIUZOUZQLS-IRXDYDNUSA-N	418.566	5.550	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1cccc(CSCc2ccccc2)c1	494152800	MRFGLKHKPOIHDO-UHFFFAOYSA-N	405.523	5.661	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)CCCC(F)(F)F	494566005	OOOSZWHMVADMBH-HNNXBMFYSA-N	405.420	5.902	30	20	HKED	
CCCC[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cc(C)on1	495475916	MEUAISVTSIWTSG-OAQYLSRUSA-N	404.470	5.256	30	20	HKED	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	497244634	CFAMSQDVVJIYSK-NRFANRHFSA-N	404.539	5.467	30	20	HKED	
C=CCN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccccc1	498236088	FFABQMKLQYGDIF-UHFFFAOYSA-N	401.235	5.076	30	20	HKED	
Cc1cccc([C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccccn2)c1	498372887	LKNRUJXLZKWUGE-MUUNZHRXSA-N	419.528	5.720	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	499472136	CXAKOSJRPLPALB-SNVBAGLBSA-N	420.372	5.389	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1	505179320	HLFCQCOCIKXJCG-UHFFFAOYSA-N	416.319	5.038	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)n2)cc1	505466270	DZXRVWLISXMPAW-AWEZNQCLSA-N	402.306	5.671	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	505981751	MTQMGHIEUJLYGJ-AWEZNQCLSA-N	424.353	5.343	30	20	HKED	
CC(C)(C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1)c1cc(F)cc(C#N)c1	505998143	ZUVYCIVVYFLQLF-UHFFFAOYSA-N	416.456	5.258	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OCC3CC3)cc2)cc1	509263875	NRJCSNYBVFBLMH-UHFFFAOYSA-N	412.489	5.373	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1	509602896	RRNJNGLQCOQFMV-UHFFFAOYSA-N	418.497	5.090	30	20	HKED	
Cc1sc2nc([C@@H](C)Sc3nc(-c4ccccc4)ccc3C#N)nc(O)c2c1C	510179261	DXCMTKSMGYJDQG-CQSZACIVSA-N	418.547	5.801	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1	510677932	DGAQFZWZSPXRCY-QFIPXVFZSA-N	401.441	5.859	30	20	HKED	
C=C(C)CN(CCC(=O)Nc1ccccc1-c1ccccc1)Cc1cnn(C(C)C)c1	512537221	OZJFUMZWTMSTGL-UHFFFAOYSA-N	416.569	5.538	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)o2)cc1	518731265	ZPCOKTVHSGUUTG-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1	520145313	JNRPYFFWLSJZJR-INIZCTEOSA-N	423.469	5.199	30	20	HKED	
C=CCOc1cccc(CNCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c1	520216599	XYPSRXHFWZNCFI-UHFFFAOYSA-N	415.459	5.363	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCCSCc1ccccc1C#N	521153113	OMLWWQHDFDRSIQ-HNNXBMFYSA-N	421.488	5.213	30	20	HKED	
C=CCOc1cccc(NC(=O)N(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)c1	521209639	FKVPWAJFLJVJFW-INIZCTEOSA-N	422.447	5.512	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Cl)c1	521373514	INUHOSQDPGUUFI-KRWDZBQOSA-N	419.912	6.060	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3sc4c(c3C#N)CCC4)ccc21	522336897	XVMUALFRJDQGLC-UHFFFAOYSA-N	418.444	5.310	30	20	HKED	
C[C@H](c1ccco1)N(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CC1	522640015	OZICHXJVYJVZHK-OAHLLOKOSA-N	406.869	5.963	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)N(Cc1ccccc1)Cc1cc[nH]n1	522844848	RQZUDKWHLKYQPJ-UHFFFAOYSA-N	406.489	5.044	30	20	HKED	
Cn1ccnc1SCc1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1	524572881	ZQBRMGGXTNUNCF-NRFANRHFSA-N	418.566	5.005	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)c2)cc1	525561621	NPFNHCQXFPTBFB-JTHBVZDNSA-N	418.443	5.352	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1	537469836	GSQSCMRDNHPFGG-GJZGRUSLSA-N	400.931	5.439	30	20	HKED	
COc1ccc(CSc2nnc(SCc3cccc(C#N)c3F)s2)cc1	539249632	FSFRHJNYGCUFBC-UHFFFAOYSA-N	403.529	5.142	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C	539790545	AMMCZTOHHBTCBP-OAHLLOKOSA-N	406.461	5.005	30	20	HKED	
Cc1nc(CNc2ccn(-c3ccc(Cl)cc3C#N)n2)oc1-c1ccc(Cl)cc1	541079972	GGMOGVSBFRTATC-UHFFFAOYSA-N	424.291	5.626	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543943647	BPEUYNJKAJVFLW-GOSISDBHSA-N	418.566	5.405	30	20	HKED	
N#Cc1cc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)ccc1Cl	544675634	PMNAKPDSEQZUKX-UHFFFAOYSA-N	423.727	5.340	30	20	HKED	
Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N)N(C)C	554208426	KWUSYEQNRFUNRH-SVMVAKDDSA-N	410.587	5.202	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc(C#N)c1	561177767	HGPLDHJCUALOQZ-ZDUSSCGKSA-N	418.444	5.022	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nc2c(Br)cccc2s1)c1ccccc1	562869324	IUNZVWGQQSBHPV-CYBMUJFWSA-N	400.301	5.085	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2COc3ccccc32)cc1Cl	564166243	QXTYLQXWLAZRLP-DYESRHJHSA-N	417.896	5.293	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cccc(Cl)c1Cl	571228218	XLCARJKPJDXQRM-UHFFFAOYSA-N	418.349	5.337	30	20	HKED	
C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@H](OC1CCOCC1)c1ccccc1	582638673	CWKCLEALIFBCBQ-BTYIYWSLSA-N	404.432	5.314	30	20	HKED	
Cc1csc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1C#N	583048480	DEYAOOFFPPWXQC-UHFFFAOYSA-N	403.916	5.178	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2[nH]1	587988769	OOOCAIXGWPOMNF-ZDUSSCGKSA-N	412.396	5.195	30	20	HKED	
COc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cc1Br	589323484	FGOWXUZWPLZNQY-UHFFFAOYSA-N	410.271	5.129	30	20	HKED	
Cc1c(NC(=O)NCc2ccc(F)cc2C(F)(F)F)cccc1OCC(F)(F)F	590145163	XQYKOPPEDZNKPK-UHFFFAOYSA-N	424.316	5.416	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	603658130	NWNJKIMKLIDZTK-UHFFFAOYSA-N	424.548	5.274	30	20	HKED	
CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	604142935	ACLPWOZGESQWKC-BSLALVQMSA-N	423.944	5.019	30	20	HKED	
COc1cc(C(=O)N[C@](C)(C#N)C(C)C)ccc1OCc1ccc(Cl)cc1Cl	604455664	KCLBUNNSQNYJRH-OAQYLSRUSA-N	421.324	5.249	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)o2)cc1	609054372	GMZOVJQNAZEZMS-UHFFFAOYSA-N	418.783	5.237	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1	609403107	SQCAUOPFIFNGTL-AWEZNQCLSA-N	407.461	5.621	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4c(Cl)cccc4C3)cc2)c1	610095397	RRVPOSPRSCYLEU-UHFFFAOYSA-N	403.869	5.594	30	20	HKED	
Cc1[nH]nc(NC(=O)CCCCOc2cccc(C#N)c2)c1-c1cccc(Cl)c1	610354493	CTLDNNZOFGLNQI-UHFFFAOYSA-N	408.889	5.098	30	20	HKED	
N#Cc1ccccc1/C=C\c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1	612899806	PJANOUPZWSPOHA-SEYXRHQNSA-N	410.408	5.170	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	613404704	UZHGINNOVAGMET-JTQLQIEISA-N	415.223	6.112	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	618808919	LLHKJYPVOYPWGY-NHCUHLMSSA-N	407.926	5.349	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1C(F)(F)F	622284954	WEIMYASCKAWUON-UHFFFAOYSA-N	402.216	5.390	30	20	HKED	
C[C@@H](CCc1ccc(F)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	671740198	RAUNTLLNBZXHPH-MUYACECFSA-N	403.357	5.785	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3C)o2)cc1	727268218	KRMUQDBTWDKEJB-GOSISDBHSA-N	420.538	5.089	30	20	HKED	
COc1cccc2cc(C(=O)/C=C\c3csc(-c4ccc5c(c4)OCO5)n3)oc12	728438862	ARVXHUXPUCWSTI-SREVYHEPSA-N	405.431	5.190	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12	729070317	NLUPIXRUNZEQTN-CQSZACIVSA-N	413.424	5.524	30	20	HKED	
COc1cc(/C=C2\Cc3c(C)cccc3C2=O)cc(Br)c1OC(F)F	729151377	RYUYHECBADCABV-WUXMJOGZSA-N	409.226	5.190	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccc(Cl)c(Cl)c1	731644458	RIQHHUWDDYIEFE-AWEZNQCLSA-N	413.091	5.776	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Cc3csc(-c4ccccc4)n3)c2)s1	739595447	YUGUBIRKIMQXNN-UHFFFAOYSA-N	415.543	5.269	30	20	HKED	
C=C(Br)CNC(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C	740040134	XHAKPTJLWFAFOX-AWEZNQCLSA-N	408.365	5.038	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1cccc(C(F)(F)F)c1	744015959	FSHDKLURGBZMKD-GFBZKKKVSA-N	410.395	5.490	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744028486	LDKFTBXQJMPLHI-RXHHAWBHSA-N	422.406	5.609	30	20	HKED	
COc1cc(/C=C/C(=O)c2sccc2Br)ccc1OCC(F)(F)F	750904992	KPSRUGSTGCAJBE-DUXPYHPUSA-N	421.234	5.356	30	20	HKED	
C[C@H](OC(=O)c1ncccc1OCC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	754365413	FDUURUWZASDXJB-VIFPVBQESA-N	411.273	5.099	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)ccc1OC	756706781	QDHOBDZUWTVKKR-OCCSQVGLSA-N	409.313	5.239	30	20	HKED	
C=C[C@H](CC(=O)OCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1	759406812	VNNXZQHZEOZNCF-MRXNPFEDSA-N	416.502	5.467	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cnc(C2CCC2)s1	760226194	LIFLAJKCEJSBJB-UHFFFAOYSA-N	406.536	5.040	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1CCc2ccccc2C1	760971039	XISPFHBDZBLJDB-YWZLYKJASA-N	421.953	5.087	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(-c2cccnc2)c1	768477791	ZCRIYTQKRYUABO-UHFFFAOYSA-N	422.513	5.378	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1	769515485	URLHLIRGQSSGRW-INIZCTEOSA-N	419.352	5.465	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(F)c1	770078669	ASFBKDFQLDOCKH-UHFFFAOYSA-N	407.401	5.071	30	20	HKED	
Cc1cc2c(cc1C)[C@H](C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CO2	770847644	FUKKEJBITBBEFD-LSDHHAIUSA-N	410.445	5.058	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C/C(=O)c1ccc(N2CCCCC2)cc1	774116174	REWPAVKEKGBXCS-SDNWHVSQSA-N	417.958	5.020	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc3c(ccc4ccccc43)o2)ccc1OC	776164767	KEHPMNVPCJHGIV-PXNSSMCTSA-N	414.505	6.126	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1	779141909	ULASGYVNDXBESW-UGKGYDQZSA-N	424.495	5.259	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	780306071	SRGJKULHTPIIKJ-OAQYLSRUSA-N	409.420	5.002	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1	782753511	ICMWKZSOIRAUCZ-SBUREZEXSA-N	400.482	5.129	30	20	HKED	
Cc1ccc(C2CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)cn1	783004273	JYJRYZLUOVJUJG-UHFFFAOYSA-N	416.550	5.079	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC(F)(F)Cl)cc1)c1nc2ccccc2n1C(F)F	786321691	HMKPUMPOXSGUHA-LBPRGKRZSA-N	411.742	5.089	30	20	HKED	
CC(C)(C)OC(=O)NCC1(CC(=O)[C@@H](C#N)c2nccc3ccccc23)CCCCC1	792098052	ALNQMWCRYBAFEI-HXUWFJFHSA-N	421.541	5.276	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1cnc2ccccc2n1	792108520	CSWSKRJKMCTAPQ-XJKSGUPXSA-N	418.909	5.188	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cn1nc(-c2ccncc2)n(CC(=C)C)c1=S	794651476	UGBXHNRBVGKYGA-UHFFFAOYSA-N	405.571	5.088	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)Cc1cc2ccc(SC)cc2nc1Cl	796385976	YTYAHDOXARRLLW-UHFFFAOYSA-N	402.947	5.274	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)cc1	796801197	WDSVPXPTKBHPIK-DEOSSOPVSA-N	419.484	5.425	30	20	HKED	
C#C[C@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccc(Cl)cc1	811516658	RCVYAUUXJQLBMY-QHCPKHFHSA-N	404.897	5.065	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4nc(C#N)cs4)nc(O)c23)s1	811689345	ZHRPHPZZSSEOCB-WCIBSUBMSA-N	416.940	5.499	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1nc2ccccc2n1C(F)F	812423580	VWFRTJOHELOWIH-UHFFFAOYSA-N	404.635	5.623	30	20	HKED	
N#Cc1sc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1Cl	813369884	PVLIJBIENYCTHO-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3ccc(C(F)(F)F)cn3)s2)cc1	814711788	WKJVSMWLILWDAS-UHFFFAOYSA-N	406.433	5.377	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Cl)c(N)c1	814850426	NFBLYROWIJGDBB-UHFFFAOYSA-N	420.826	5.019	30	20	HKED	
N#CC1(CC(=O)O[C@@H](Cc2ccccc2Cl)c2ccc(Br)o2)CC1	816093410	LWISRYNZRGZXMT-HNNXBMFYSA-N	408.679	5.216	30	20	HKED	
N#Cc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	856435152	HCFXHZQSBZBTNR-UHFFFAOYSA-N	401.516	5.713	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n1	915102538	WREUEQPTKRZVDN-INIZCTEOSA-N	421.572	5.844	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)n1	915644761	OXJMNXHTYBJSGL-AREMUKBSSA-N	420.516	5.326	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1Cl	916056839	JGQJTOGKRLOJDD-MRXNPFEDSA-N	416.695	5.950	30	20	HKED	
Cc1sc2ncn(N=Cc3cc(C)n(CC(C)C)c3C)c(=O)c2c1-c1ccccc1	916283938	CAQDFAMDKFEBHV-UHFFFAOYSA-N	418.566	5.390	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3cccs3)oc2C)cc1	916947973	CVAMQBWOBLTLRU-SUMWQHHRSA-N	407.495	5.186	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COc2ccc3ccccc3c2)cc1	916954295	HLGZIRSHJDDBKS-GAJHUEQPSA-N	400.478	5.080	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F	918556037	VEPVHIRGXWWDIN-AUUYWEPGSA-N	413.424	5.011	30	20	HKED	
CC(C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140378	CJOUMFNXXGVEJX-LJQANCHMSA-N	401.491	5.060	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	920265228	KEPTYWXUORACBK-HXUWFJFHSA-N	405.523	5.654	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	921137178	UVYUSIVEOVTVHV-DOMZBBRYSA-N	400.425	5.282	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1	1786465365	PDYZFVVMWHKXCX-HXUWFJFHSA-N	416.512	5.140	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C)s4)cc3)CCC2)C1	1786831341	XBRJZGNZXMEZNI-UHFFFAOYSA-N	408.567	5.089	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3OCC)cc2)CCC1	1790240834	PESSEXRKIDWCPN-GOSISDBHSA-N	406.526	5.045	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	1797870211	UZPASFBIPKKCCF-IROFBDHCSA-N	414.634	5.224	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)CC1	1823694655	YLUZGAZYOOVKCN-PMACEKPBSA-N	424.576	5.034	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2C)CC1	1825783638	LMLJELHZBSUJRE-LEWJYISDSA-N	414.615	5.058	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1	7632550	VGYZPMZINUZGCW-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(CC)cc2)cc1	10173417	MYEHNIYYQAZCCR-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccccc2CC)cc1	10827732	GDTOBRNKHWWWLY-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccc(Cl)cc3)o2)c1C#N	18279227	SCFKPFPCUBGWRK-UHFFFAOYSA-N	407.886	5.048	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1sc(C)nc1-c1ccccc1	24225708	MNXPNRLSJLGNEQ-UHFFFAOYSA-N	424.547	5.192	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3ccccc3)c2)c1	48125773	OOURLMWOFFGCRO-HSZRJFAPSA-N	410.477	5.180	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(C#N)cc1	58999585	XECVMJNJYKLHMP-UHFFFAOYSA-N	413.861	5.225	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc3c(s2)-c2ccccc2CC3)cc1	104861262	VSIFJEFCFGJEHP-UHFFFAOYSA-N	402.519	5.473	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303750301	FFFUYKLNWNJINB-SNVBAGLBSA-N	421.303	5.227	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)c2nc3c(C)ccnc3[nH]2)cc1F	429573908	OFMMXZMUPCJVTE-GOSISDBHSA-N	402.404	5.010	30	20	HKED	
CC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1nc(C(F)(F)F)cs1	430590367	KQWDACABYSJFIK-SECBINFHSA-N	400.319	5.201	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)COC3)cc1Cl	431557675	NSYALFHWIDLKKL-JOCHJYFZSA-N	417.896	5.347	30	20	HKED	
N#CCCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1	431630296	JDKZZOSDPYAPSA-MRXNPFEDSA-N	416.852	5.072	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cn1	432070913	CYXWTEPIZDLSHW-OLZOCXBDSA-N	419.348	5.121	30	20	HKED	
Cc1ccc(Oc2ccccc2NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1	432589228	UNPNUHPJWXHMDN-UHFFFAOYSA-N	413.477	5.407	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCc2ccccn2)cc1Cl	435650133	CWJDMKLITPUAOX-OAQYLSRUSA-N	404.901	5.145	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	435988105	YPVIHWDUSFOUTI-QHCPKHFHSA-N	414.509	5.129	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCOc3ccccc32)cc1F	438669722	UELLXAHWIROZIE-KRWDZBQOSA-N	417.440	5.177	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1	438842245	RGVZVWSJYZGHBZ-CYFREDJKSA-N	414.509	5.066	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(SC)cc1)c1ccc(C(F)(F)F)cc1	442055949	KWIXEGUVHFJGTQ-GOSISDBHSA-N	422.472	5.190	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCCC(F)(F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	443464271	VPGLXUOWHTUBMS-CQSZACIVSA-N	407.442	5.063	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21	443901856	ALPJQALLRJFCPL-XMSQKQJNSA-N	423.582	5.375	30	20	HKED	
N#Cc1c(CNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cn2ccccc12	446647937	MHZFUZJADMDJSG-UHFFFAOYSA-N	424.382	5.287	30	20	HKED	
C[C@H](C(=O)Nc1nc(-c2sccc2Br)cs1)c1cccc(C#N)c1	461951892	DGKZLECQSMMJML-JTQLQIEISA-N	418.341	5.248	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2SCCc3sccc32)cc1	463289687	SYYDJDZTFXEZJP-QFIPXVFZSA-N	422.550	5.318	30	20	HKED	
CCCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F	463932534	LNIUYAROMUKYMG-OSPHWJPCSA-N	419.475	5.363	30	20	HKED	
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(C#N)c1	463953839	XGEKSNXLBHCCRT-ZDUSSCGKSA-N	403.429	5.325	30	20	HKED	
CCCN(CCc1cccs1)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	464182086	HUNFXLCFXRMWSU-UHFFFAOYSA-N	420.582	5.237	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OC	464474304	KAHCQZAQSYBKPE-ZDUSSCGKSA-N	412.795	5.041	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CCC(F)(F)F	465230827	ARCGFNMXKDDHJE-UHFFFAOYSA-N	403.448	5.743	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(=Cc3ccccc3F)CC2)c1	465251274	AHIJBPNFZTUADI-UHFFFAOYSA-N	401.388	5.010	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1coc(-c2ccccc2)n1	466067520	LYSJHYRZPMCFHS-UHFFFAOYSA-N	424.460	5.636	30	20	HKED	
C[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1cc(F)c(Cl)cc1Cl	466594456	BHSWHJFXEWXPSK-NSHDSACASA-N	411.264	5.093	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CCC[C@]12CCCCO2	468642761	LZANLCCLNHLFQH-GHTZIAJQSA-N	416.930	5.152	30	20	HKED	
CCCOc1ccc(C(F)(F)F)cc1NCc1nnc(-c2cccc(C#N)c2)o1	471620442	RWFXQZIEWXOFRD-UHFFFAOYSA-N	402.376	5.028	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C	475547322	GWNHONOHHCCEMA-XMMPIXPASA-N	416.569	5.915	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1nccn1Cc1ccccc1	475551747	XBXFMDNKJCILGM-UHFFFAOYSA-N	402.542	5.447	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1	475554122	QQGDWTYLWBTQMD-HXUWFJFHSA-N	421.585	5.081	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1	476543142	IMORQNLWQKRVRR-QFIPXVFZSA-N	403.913	5.250	30	20	HKED	
C=C(C)[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(F)c(F)c1	478926438	VSVNTHPGGYSBCU-QFIPXVFZSA-N	416.468	5.127	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479165271	NHZSUOJPCKOZKX-ATIQYGATSA-N	411.933	5.304	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C	480328784	BXZOKPSEQZHELL-UHFFFAOYSA-N	403.935	5.279	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NCc3ccc(C#N)cc3Br)cc2)cs1	481236048	KSTUXBXOLSQJLT-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1cccc(OC)c1	481399345	KRYGDJWFECNSLY-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c(OC2CCCC2)c1	483210752	MUCJPKNZHQSXCS-FQEVSTJZSA-N	415.493	5.230	30	20	HKED	
COc1ccc([C@H](NC(=O)CNc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1	487380342	REENXRRNYDFGQN-GAJHUEQPSA-N	411.571	5.015	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	488014194	LYCIUKDXBKARNA-PMACEKPBSA-N	418.434	5.595	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4nccc(C)c4c3C)n2)cc1	489868014	XYVLNQDOYDVOBM-MRXNPFEDSA-N	403.532	5.835	30	20	HKED	
Cc1sc(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cc1-c1ccc(F)cc1	493910862	JZONLSQTEZUKJE-UHFFFAOYSA-N	416.481	5.054	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c(Cl)c1	494630693	KJEZOEBKSKIOLO-UHFFFAOYSA-N	416.289	5.431	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cc2ccccc2s1	495415570	RKHTVIKNQNDPPF-OAHLLOKOSA-N	423.513	5.226	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	495531318	RZQPADPZMRLMES-GOSISDBHSA-N	417.534	5.427	30	20	HKED	
Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1S[C@H](C)CC#N	499726755	QTLQEUJDRWOQNT-OAHLLOKOSA-N	410.930	5.481	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1	503909042	JMTXSHXUTHPQHF-UHFFFAOYSA-N	421.928	5.126	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	504441159	DQVAIOAGHCKLDQ-QGZVFWFLSA-N	402.523	5.141	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	505322914	MXRKTJQWLGGFIK-AWEZNQCLSA-N	409.389	5.001	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)c1	505992489	QPOIZWXYGXRXRN-GOSISDBHSA-N	416.333	5.349	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2Br)c1	506845462	DUQACNQLWKWTAQ-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
CCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21	508265430	NJFNPNSLMRYZLG-QGZVFWFLSA-N	416.344	5.412	30	20	HKED	
Cc1cc(NC(=O)c2cccc(C#N)c2C)cc(C)c1NC(=O)c1cccc(C#N)c1C	511333649	MWLJKYCNGKREFQ-UHFFFAOYSA-N	422.488	5.168	30	20	HKED	
CCN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCSc2ccc(Br)cc21	513129999	PFLLFDKJUVUSBH-INIZCTEOSA-N	424.408	5.347	30	20	HKED	
CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	513876777	RFJGGMMTIDTWJY-XMMPIXPASA-N	413.477	5.128	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4c4cccnc34)s2)cc1	514032512	HZRGSDOVXPZOFV-UHFFFAOYSA-N	420.497	5.559	30	20	HKED	
CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1F	518502292	IUTBBORSCWWCPF-HNNXBMFYSA-N	413.861	5.051	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccc(OC)cc4c3C)n2)cc1	518516501	HKZDFEIADBLPFP-SFHVURJKSA-N	418.474	5.372	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(OCC(F)(F)C(F)F)nc1	519126852	SJDVNUJHGMDFMX-CYBMUJFWSA-N	424.316	5.036	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)nc4onc(C(C)C)c34)n2)cc1	519947476	KRTAANJPJOXCCC-QGZVFWFLSA-N	416.506	5.577	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccc2)nc1	521552766	YIZPXVYCQNMCSD-UHFFFAOYSA-N	422.463	5.310	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc(C3CC3)nc21	521796478	FEBXGAVRPRZDSD-OAHLLOKOSA-N	419.554	5.536	30	20	HKED	
C[C@H](NC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(C#N)cc1	521953290	BAVQPWSGHSAGLS-QMHKHESXSA-N	405.448	5.181	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1cnn(C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	531417240	HZTNIJPBBIDALU-GFCCVEGCSA-N	421.353	5.173	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1noc(-c2ccccc2)n1	531863492	FPRSNYGNHHHKOF-SFHVURJKSA-N	410.477	5.038	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl	534083466	IODGOEANVAQJHX-UHFFFAOYSA-N	421.909	5.319	30	20	HKED	
N#C[C@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc(-c2ccc(Cl)cc2)cs1	534689813	CSZMPDVYPLDINE-QGZVFWFLSA-N	407.857	5.641	30	20	HKED	
CCOCCOCc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1	537575779	DRDCBIQEMDNBHY-UHFFFAOYSA-N	416.477	5.156	30	20	HKED	
Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2Cl)n1	538635059	OCLQNIFHZBISES-IRXDYDNUSA-N	421.932	5.398	30	20	HKED	
C=CCCC[C@H](C)NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)CC)cc1	539429120	MEMKOOMDQHRLIM-KRWDZBQOSA-N	417.596	5.106	30	20	HKED	
C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Oc2ccccc2)c(F)c1	540370955	WVDAUKUIOZUHPE-MRXNPFEDSA-N	414.440	5.390	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cccc(C(F)F)c3Cl)C2)c(F)c1	541794563	LQFNJMXSDROJIT-CYBMUJFWSA-N	422.838	5.079	30	20	HKED	
COc1ccc2c(c1)C[C@H](C)N(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]2C	542878248	FSLHMOWFNUCFBE-OKZBNKHCSA-N	423.582	5.036	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543875297	SBTCIWWWNGLVEA-RBUKOAKNSA-N	413.521	5.220	30	20	HKED	
CO[C@@H](c1ccc(F)cc1)c1noc(-c2cccc(COc3ccc(C#N)cc3)c2)n1	546516892	KVAFERGIRNCMRA-QFIPXVFZSA-N	415.424	5.062	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(C(F)(F)F)c1	568910415	CVSYLRDNNZJQCJ-UHFFFAOYSA-N	419.350	5.377	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C2CC2)cc1	571812335	IHVOYVXBQDKNGE-HSZRJFAPSA-N	414.465	5.027	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1	574832129	QUVBJQJBPNMBLH-MGPUTAFESA-N	416.443	5.109	30	20	HKED	
CCCOc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)c(OC(F)F)c1	581577081	LNXORQVNUNKFHK-UHFFFAOYSA-N	414.374	5.257	30	20	HKED	
N#Cc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1	583014851	DQFNILGKJRXHHG-UHFFFAOYSA-N	412.924	5.413	30	20	HKED	
CO[C@@H]1CCOc2c(NCc3cccc(OCc4cccc(C#N)c4)c3)cccc21	583243482	MSOWJWCTFPMFLW-XMMPIXPASA-N	400.478	5.219	30	20	HKED	
N#Cc1ccc(N2CCC(NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1	586788439	WGXCUTBDKZOQLJ-HUUCEWRRSA-N	419.413	5.026	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)c1cccc(C#N)c1	600850110	SPYGHBWVRAASQJ-HNNXBMFYSA-N	409.411	6.002	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1C(F)(F)F	603569607	RKGXLNDFLKFEFQ-UHFFFAOYSA-N	412.415	5.253	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2)cs1	604171574	UMNSCEJMDUZBMQ-QMHKHESXSA-N	419.550	5.271	30	20	HKED	
COc1c(C)cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1C	608784951	JTZKEVFYONPOOA-UHFFFAOYSA-N	416.481	5.035	30	20	HKED	
CSCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	609104102	NYUAELXXHZUICZ-UHFFFAOYSA-N	406.482	5.392	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12	609375327	HRSLNDAVMOUQTI-UHFFFAOYSA-N	418.547	5.654	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	609379004	MKOUTAJQOZXCMA-NSHDSACASA-N	401.340	5.046	30	20	HKED	
COc1cccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCCC2)c1	609410655	SSTDHTQDLZTRCI-UHFFFAOYSA-N	413.477	5.205	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1cccc(Cl)c1Cl	609435061	NONGPXIUXRKKQI-CYBMUJFWSA-N	408.354	5.752	30	20	HKED	
COc1cc(C[S@](=O)Cc2cc(C)cc(C)c2)ccc1OCc1cccc(C#N)c1	609742926	AZBRYMTZGAVAPV-PMERELPUSA-N	419.546	5.212	30	20	HKED	
CC(C)n1c(CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)nc2ccccc21	609991824	VLBYTCPLYIRZKQ-UHFFFAOYSA-N	423.520	5.205	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1nc2ccccc2o1	611212177	RBYPDKHRZWKGGX-INIZCTEOSA-N	407.451	5.261	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2s1	613289621	XAGDBRXYVOISGA-IBGZPJMESA-N	420.497	5.639	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1CN(C)C1CCCCC1	615476506	XGRSUZRHEQNVFR-UHFFFAOYSA-N	409.549	5.810	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](NCc2ccc(C#N)c(Cl)c2)CCC3)cc1	619754564	DEMUNPOQQBJSOS-LJQANCHMSA-N	409.942	5.511	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674443746	HZTFBUDXACIQGU-HUUCEWRRSA-N	423.303	5.445	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1C(F)F	677608161	IGRQSUZGCVYWDL-UHFFFAOYSA-N	411.321	5.383	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(Cl)c(C(F)(F)F)c2)S1	727264079	MBJSUJUZSSCSCU-DHDCSXOGSA-N	410.848	5.867	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCc1ccc(OCC#N)cc1	728127604	ZKHGDGVPERYBNA-IBGZPJMESA-N	415.493	5.359	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1	728200496	IPPHXRKYOXTMFU-UHFFFAOYSA-N	423.875	5.289	30	20	HKED	
O=C1/C(=C\c2ccc(OCc3occc3C(=O)O)cc2)CCOc2ccc(Cl)cc21	733749394	VQKTYZVFCRYHSM-PTNGSMBKSA-N	424.836	5.259	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)c1	733842212	SMALFLDSKNYXDW-HXUWFJFHSA-N	401.466	5.482	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SCC(F)F)cc2)ccc1OC(F)F	741842523	LVHVUQVFWXNYCD-KRXBUXKQSA-N	400.393	5.550	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)nc1-c1ccccc1	742254260	GFTFJWZJMKDYGS-HXUWFJFHSA-N	402.454	5.586	30	20	HKED	
CSc1cccc([C@@H](NCc2ccc(OCC#N)cc2)c2ccc(F)c(F)c2)c1	742264162	SKADQQZEWMUKJZ-HSZRJFAPSA-N	410.489	5.468	30	20	HKED	
CCCCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1	742840743	NMTIBYTVWCLZIT-QFIPXVFZSA-N	421.990	5.310	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	744061475	LHFBQWLYYMIMEB-MGPUTAFESA-N	403.482	5.266	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C(F)F)c2Cl)cc1C#N	758213646	CPKZSQIEQPHHIH-UHFFFAOYSA-N	408.792	5.362	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1CC#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761064613	IGAOGMXKXAHXMD-LLVKDONJSA-N	402.237	5.027	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	762450540	HGWINYPSSWRVNU-UHFFFAOYSA-N	420.243	5.615	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(N2CCOC2=O)cc1	764432319	LEYSXKCGSOCSQD-LHHJGKSTSA-N	417.436	5.257	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccc2c(c1)CCCC2)c1nc(-c2ccncc2)cs1	766327719	XALGMYDBEPKMCH-NRFANRHFSA-N	417.534	5.119	30	20	HKED	
N#CC(CCN1CCC([C@@H](O)c2ccccc2)CC1)(c1ccccc1)c1ccccc1	769707826	NGIWOCLZUZAQMR-MHZLTWQESA-N	410.561	5.332	30	20	HKED	
CN(CCC#N)c1ccc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)cc1	770552251	WMZJSHDKYRIJPO-UHFFFAOYSA-N	405.546	5.056	30	20	HKED	
O=C(/C=C/c1ccc2ccc(Br)cc2n1)c1ccc(N2CCCC2=O)cc1	771519025	XXUQKTKNFDAPFI-FMIVXFBMSA-N	421.294	5.020	30	20	HKED	
N#CCOc1ccc(CC(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	773841456	CHDQXHFSLWIZKC-HXUWFJFHSA-N	422.834	5.071	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1ccc2c(c1)CCC(=O)N2C	774138761	NXCNQZOYHLCOFA-WCIBSUBMSA-N	406.482	5.063	30	20	HKED	
C[C@H](N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(OCC#N)cc1	776154104	PCERGSBSECEUFW-AVRWGWEMSA-N	402.563	5.969	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cccc(F)c2F)cs1)c1ccc(F)cc1F	776268984	XZQXJKKNFGYMNX-VURMDHGXSA-N	420.387	5.280	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H](c3ccc(F)cc3)CC2)c1=S	777970025	OLQMIVVCWKYNQR-GOSISDBHSA-N	423.561	5.028	30	20	HKED	
C#CCCCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	779846696	NWLHVNZUAPTMKL-UHFFFAOYSA-N	420.406	5.619	30	20	HKED	
C=CC[C@@H](OC(=O)Cc1nnc(O)c2ccccc12)c1ccc(Cl)c(Cl)c1	797552753	JLILXBKOJLQQQI-GOSISDBHSA-N	403.265	5.045	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1C#N	799366425	IVRKNAQUEMDYAA-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
O=C(Nc1cccc(/C=C\C(=O)c2cn3c(n2)CCCC3)c1)c1ccc(Cl)cc1	806564358	ADVKWPVDTDVBOY-GHXNOFRVSA-N	405.885	5.021	30	20	HKED	
CCOc1cc(/C=C(\C(=O)OCc2ccc(C#N)cc2F)c2ccccc2)ccc1O	808421443	HISDHVBZNRYSPO-MTJSOVHGSA-N	417.436	5.086	30	20	HKED	
Cc1ccc(CN2CCSCC2)cc1NCc1ccc(C#N)cc1C(F)(F)F	811469353	BYYWGXXQYRXUCR-UHFFFAOYSA-N	405.489	5.046	30	20	HKED	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)SC1=S	814292695	JMNIQRZYIGBMHY-HMMYKYKNSA-N	407.564	5.005	30	20	HKED	
CCc1sc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1Br	815899316	MHRZYTWIXBQODR-LBPRGKRZSA-N	415.312	5.068	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1csc(-c2ccccc2F)n1	815915328	KXDNAFUPDDEEIU-CQSZACIVSA-N	405.454	5.244	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc(Cl)cc(Cl)c1F	863996307	WGLJBWYDBMARIB-GFCCVEGCSA-N	408.304	5.138	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1	915085465	MHOTVGWNTANBOU-XMMPIXPASA-N	423.541	5.571	30	20	HKED	
Cc1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	915104365	PDNMAVGXFJJENC-OAHLLOKOSA-N	404.413	5.187	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	915351517	DLWTWLLXVNUIEO-OPAMFIHVSA-N	423.438	6.244	30	20	HKED	
Cc1cc(CC(=O)[C@H](C#N)c2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)cc1	916843782	QVXBHHWJFGWORT-FQEVSTJZSA-N	416.912	5.053	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COc2cccc3ccccc23)cc1	916952993	AAWUBNSMABNTKW-JTSKRJEESA-N	400.478	5.080	30	20	HKED	
CC(C)Oc1cccc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	921137262	XYMLGPXKNFCWQW-MRXNPFEDSA-N	412.461	5.294	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccsc3)cc2)CCC1	1788188328	LMZNFFLHPRTALJ-UHFFFAOYSA-N	408.567	5.008	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1	1790072236	ZQPCZMYCIXGYHP-INIZCTEOSA-N	419.500	5.267	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(=C)C(F)(F)F)cc2)CCC1	1791302710	HJXWKYMXECLOIM-SFHVURJKSA-N	406.448	5.007	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CSc1nc(C)c(C)c(C)c1C#N	10380980	UWBIXWXMOZVLCS-UHFFFAOYSA-N	401.963	5.388	30	20	HKED	
Cc1ccsc1CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161583	XMYXNDVXBHEXBX-UHFFFAOYSA-N	405.523	5.366	30	20	HKED	
Cc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F	56881769	CBSADDBJFIEDDG-INIZCTEOSA-N	419.447	5.019	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCn2ccc3ccccc32)cc1	59919137	GBYZRZDYEMHZKK-UHFFFAOYSA-N	409.489	5.315	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C	60017605	LQIKXPUKNWODTN-UHFFFAOYSA-N	411.914	5.683	30	20	HKED	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	65735866	HJKLJXMYPOUEAU-GFCCVEGCSA-N	410.445	5.070	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1nc(-c2ccccc2)cs1	71879120	JWEIFDYXERFZSO-UHFFFAOYSA-N	405.523	5.237	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccccc2OC)n1	109453739	HUGZGKQFAHSWNN-UHFFFAOYSA-N	404.944	5.362	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1	138457018	XIRYOGAFIZFERL-UHFFFAOYSA-N	402.216	5.390	30	20	HKED	
CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@@H](C)c1cccnc1	217225960	HPXAYGISVQUSBM-INIZCTEOSA-N	405.885	5.622	30	20	HKED	
C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc(C#N)c1	237557244	LZUYKDPFNOEZTM-HNNXBMFYSA-N	407.857	5.763	30	20	HKED	
N#CCCCOc1cccc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1	237733057	MJEJYIGVORRFQE-UHFFFAOYSA-N	417.484	5.050	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2ccsc2)nc1N1CCC[C@@H]1c1ccsc1	302826924	HPINLTOTWOOBPY-VQTJNVASSA-N	406.580	5.759	30	20	HKED	
Cc1nc2cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)ccc2n1Cc1ccsc1	409537391	UIPPNAQMJBOWLJ-HXUWFJFHSA-N	420.925	5.103	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	429683217	KOHIWQRAHWGRJD-YPMHNXCESA-N	417.943	5.099	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1ccc(C)cc1)c1cccnc1	430910355	SWFMBQODYKAMHB-QHCPKHFHSA-N	401.535	5.257	30	20	HKED	
C[C@@H](NC(=O)CN[C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1Cl	433013575	XZVGLBYIASHQNK-QRWLVFNGSA-N	404.341	5.195	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1OC2	436351280	CQTPTALGFJAPSD-VQTJNVASSA-N	400.503	5.219	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[nH]c(C)c1C(C)=O	437502864	WGNJXCYEYAFVJO-UHFFFAOYSA-N	419.456	5.534	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	437741659	DFPWWRKEVFTRBI-RTBURBONSA-N	412.331	5.370	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl	438062637	NVCMWENNOMLAIU-ABAIWWIYSA-N	422.337	5.500	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	438652408	OYDQIJHNIUAYBE-GFCCVEGCSA-N	416.428	5.583	30	20	HKED	
CCCc1c(NC(=O)CCc2c[nH]c3c(C)cccc23)cnn1-c1cccc(C#N)c1	440110672	YRDNCMLEWDDLAX-UHFFFAOYSA-N	411.509	5.058	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1	442082181	QIERUUVZNNTNDP-KRWDZBQOSA-N	415.518	5.297	30	20	HKED	
Cc1noc(C2CC2)c1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	444821069	ANAJONUGRRENSZ-SFHVURJKSA-N	406.873	5.813	30	20	HKED	
C=CCN(C(=O)c1ccc(C(C)=O)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	447136551	CAYNFQCLMQAPLP-UHFFFAOYSA-N	421.305	5.745	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	466193924	KNVONPGUWFBKEC-FQEVSTJZSA-N	418.859	5.328	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)NCc3cc(C#N)ccc3F)cc2c1	466197577	SEQCRLFBGWTOSS-UHFFFAOYSA-N	417.440	5.257	30	20	HKED	
C=CC[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1)c1ccccc1	466613880	LDYUWEVALBUDJO-IBGZPJMESA-N	417.534	5.302	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C	468713624	HSFWENHEEXDVDX-QGZVFWFLSA-N	418.566	5.674	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4cc(Br)ccc43)ccc21	469151271	UOOIDOYXDMYUBL-FQEVSTJZSA-N	424.342	5.131	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1	469827820	OXOLLAHNRKFBPA-KRWDZBQOSA-N	409.505	5.167	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cc1	470936148	YZNXPLFGCNPGPV-HXUWFJFHSA-N	418.456	5.220	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1SCC(F)F	473805274	CNOOQPAQVXSNST-UHFFFAOYSA-N	410.877	5.040	30	20	HKED	
COc1cccc(C=C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1	473821059	WZGMOUVIOQGRJA-GOSISDBHSA-N	421.566	5.658	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(Br)cc1C	473866971	RPPFJUAAWQWBDV-UHFFFAOYSA-N	404.283	5.212	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c2cccnc12	482100303	YBQFMQYEFKEFPN-UHFFFAOYSA-N	410.424	5.150	30	20	HKED	
O=C(N[C@@H]1CCCC(F)(F)C1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482309645	BXFKSCOTRWLNKC-VXGBXAGGSA-N	404.301	5.186	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C	484513298	CDFSQOUIYZYSQZ-AWEZNQCLSA-N	407.449	5.610	30	20	HKED	
COc1ccc([C@H](NCc2ccc(F)c(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1	486174953	QIZAOOGXFJAGHN-JOCHJYFZSA-N	414.402	5.604	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccccc1	487473714	NKMOFYRHVFLEPD-RUZDIDTESA-N	405.501	6.067	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1	494039325	SNRAITCRGYMXDQ-GOSISDBHSA-N	405.523	6.081	30	20	HKED	
N#Cc1ccc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nc1	498155300	BBIRJIDLJPPRBZ-LJQANCHMSA-N	413.424	5.444	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1cccc(Br)c1	499725736	NPMMLOUGGIPNBE-ZDUSSCGKSA-N	421.385	5.574	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(F)cc1C(F)(F)F	500216093	MAWYBONFPLYYIY-UHFFFAOYSA-N	413.264	5.567	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	502366329	NQKDLPRGBYCYHY-IVZQSRNASA-N	408.860	5.024	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1	502941362	QEZKSOMIXDZPIX-JOCHJYFZSA-N	412.489	5.805	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCC1)c1ccccc1	503682433	SDEAYVDAPVIEDX-NRFANRHFSA-N	421.566	5.069	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	505798149	YSGYXTYONBXQIN-OAHLLOKOSA-N	420.683	5.605	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1	506694850	FHQQWNVMQASGTN-UHFFFAOYSA-N	410.930	5.774	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1	507822847	CXZCMECMLBMMLK-HNNXBMFYSA-N	421.884	5.452	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	516252941	ZALSNVQOFNIWIN-UHFFFAOYSA-N	407.514	5.428	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cnc(-c4ccccc4F)s3)n2)cc1	517899891	WTQLBHJQNGUVMC-UHFFFAOYSA-N	406.467	5.197	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1	519063116	GIYQKCATIQPWTB-XMMPIXPASA-N	401.485	5.407	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3cnc[nH]3)cc2)cc1	519994052	MHDBNAFJLJDUCG-UHFFFAOYSA-N	410.502	5.493	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21	520056141	GDMFIKXXDWNHQG-LJQANCHMSA-N	402.947	5.283	30	20	HKED	
C=C(C)COc1cc(CNCC2(c3ccccc3Cl)CCOCC2)ccc1OC	521337822	KKXWINMHCZMFGX-UHFFFAOYSA-N	415.961	5.142	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc4cccnc34)c2)cc1	521718202	BBCVARRRRWJVAA-UHFFFAOYSA-N	422.488	5.202	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC3(c4nccs4)CCCC3)c2)cc1	523924928	IOOMTWYIFXSJMJ-UHFFFAOYSA-N	404.495	5.398	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(COc2ccccc2)cc1	538032983	VFOPKRWONJRVGI-JWQCQUIFSA-N	411.505	5.569	30	20	HKED	
N#CCC1CCN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1	541050406	OOBKPETZWVGGOQ-HXUWFJFHSA-N	402.922	5.465	30	20	HKED	
CCCc1c(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cnn1-c1ccc(C)cc1	552501316	VPBNBFXPDRFXBM-UHFFFAOYSA-N	404.489	5.060	30	20	HKED	
CC(C)(C)C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(F)(F)F	555008209	ULPQGGMFGTYXSO-QGZVFWFLSA-N	406.408	5.234	30	20	HKED	
C=CCn1c(SCc2cc(F)c(C(F)(F)F)cc2F)nnc1-c1ccccn1	557790055	SCNVNFDBWVJPFA-UHFFFAOYSA-N	412.387	5.115	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCC2(c3ccccn3)CCC2)cc1F	558381939	YZZSWZWANAGTBH-UHFFFAOYSA-N	416.456	5.128	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(OC2CCCCC2)CC1	561205417	AVBKZCPDDQDAFE-KRWDZBQOSA-N	401.576	5.284	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	563287605	XOYOKJMZDWKMFL-SFHVURJKSA-N	412.493	5.578	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c1	589739403	NLUVUBIGZKBVHO-IBGZPJMESA-N	405.542	5.089	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)s1	604028694	IMOHJSMYEHFMNB-UHFFFAOYSA-N	406.467	5.156	30	20	HKED	
COc1ccc(Cl)cc1NCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	608903727	JDCVJNIVTBBFIJ-UHFFFAOYSA-N	407.857	5.063	30	20	HKED	
COc1cccc2cc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)oc12	609172727	AUVFALVTDFEVKW-NRFANRHFSA-N	412.445	5.015	30	20	HKED	
N#Cc1cccc(CS(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1	609224454	HKIIJSVWUJQVFE-UHFFFAOYSA-N	416.329	5.569	30	20	HKED	
CCCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1cc(Cl)ccc1C#N	609285583	BLBQHCQMKPEFOS-UHFFFAOYSA-N	407.901	5.551	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2ncsc2c1	609378381	IJXHVYUEFBULHD-UHFFFAOYSA-N	407.442	5.573	30	20	HKED	
CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1SC[C@H](C)C#N	609402863	FOEOVUGVJVYCNG-OAHLLOKOSA-N	419.953	6.175	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3cc(-c4ccccc4)no3)cc2)c1	609434280	OTNYIZUCJRKLIE-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(F)cc1F)C1CC1	609435486	QPGGLEQCFLQTHC-CQSZACIVSA-N	401.482	5.556	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	609436824	HCKRHCQKQMJWMS-CABCVRRESA-N	421.488	6.325	30	20	HKED	
COc1cccc(CN(CC(C)C)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	609438940	PFZVYAFCSRLAQP-GOSISDBHSA-N	411.571	5.780	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](C)c1cccc(F)c1	609694633	ONSGQISWWWTAJC-KRWDZBQOSA-N	402.469	5.717	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1C	609773949	LIHVJJUFNXRDJM-UHFFFAOYSA-N	411.505	5.666	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1-c1ccc(Cl)cc1	610090924	RJXGCFCRFLGAMK-KRWDZBQOSA-N	403.913	5.781	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1Cl	610357269	JQIZWYZHZSFPSO-WAIKUNEKSA-N	419.912	5.370	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCc1cccc(Br)c1	610756529	NIUMAXOCEYJDKU-OAHLLOKOSA-N	417.372	5.662	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccco4)s3)s2)cc1	610799460	JCZUUNWXGOQTJA-UHFFFAOYSA-N	424.532	5.276	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H]2c2cccc(F)c2)cc1	611042052	JLHQTYFNKOAEHX-XMMPIXPASA-N	415.468	5.450	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4C)c3C)n2)cc1	613318755	CFDBWEUOHHJAGW-LJQANCHMSA-N	412.518	5.411	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nnc1-c1cccnc1	613991604	BMUDWMRXHKRAMW-UHFFFAOYSA-N	424.529	5.072	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)nnc1C1CC1	639395663	SQSCZAQVBUGXMW-INIZCTEOSA-N	424.492	5.116	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](c2cccs2)C2CC2)cc1OC	642972743	JTCCORIQYSZKLT-SFHVURJKSA-N	408.361	5.325	30	20	HKED	
C[C@@H]1CCCCN1CCOc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	672579979	JKMNTQSHKXTFBG-IEBWSBKVSA-N	419.550	5.040	30	20	HKED	
C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674447335	QAFGKFFRCRWBNQ-OASPWFOLSA-N	421.303	5.398	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](OC(F)F)C1)c1ccc(C(F)(F)F)cc1	679705673	GSKYONFLJGUMDX-HOTGVXAUSA-N	406.395	5.126	30	20	HKED	
O=C(Cc1ccc(Cl)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684121353	MTNKPVOZAHTJFI-NXEZZACHSA-N	405.741	5.047	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccc(OC)c(OC)c2)C2CCCCC2)c1	726484411	LMCUMUGEJGQKKB-UHFFFAOYSA-N	408.567	5.217	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1OCc1ccccc1	729685627	DJYBBAJGYDBWCK-LJQANCHMSA-N	402.494	5.027	30	20	HKED	
CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	731331899	VPPPQZWZLGRCBC-UHFFFAOYSA-N	401.422	5.171	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=S)Nc2cc(Cl)cc(Cl)c2)ccc1OC	733210476	BAHFJWNQJGWRNI-MRXNPFEDSA-N	424.353	5.170	30	20	HKED	
COc1cc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)[nH]c2cc1OC	735650878	WKNDUMGUCBYPQG-FQEVSTJZSA-N	411.461	5.093	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)[nH]c12	735790542	NAAGHTLTGNPGCA-LECLMCCNSA-N	401.466	5.629	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)ccc21	740455303	OQAXHSQOTMDNLB-UHFFFAOYSA-N	415.522	5.539	30	20	HKED	
O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1	741447495	MFEZZCQRQORTBF-SDNWHVSQSA-N	408.441	5.318	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1C(F)(F)F	741924368	FNZCLAHZJDXZOS-ADVGAGMGSA-N	404.457	5.999	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	741924769	KLJFSZOEKMBCSX-UHFFFAOYSA-N	411.383	5.101	30	20	HKED	
N#Cc1ccc(F)c(CNCc2ccc(-c3ccc(Br)cc3)s2)c1	742380202	ATTSVSFBIZIYTC-UHFFFAOYSA-N	401.304	5.478	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1)C(=O)O	745021440	OLQTXCJDKYOORS-QQBNSCQMSA-N	423.446	5.071	30	20	HKED	
CC[C@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	749025429	MOOSEGUPKOUMTK-DOMZBBRYSA-N	422.403	5.488	30	20	HKED	
CC[C@@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	749030179	VVQBVNZAFTVFLW-YVEFUNNKSA-N	416.424	5.261	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)c1C	750907952	BVEYFFJMTCUXJF-HJWRWDBZSA-N	416.344	5.302	30	20	HKED	
C=CCN(C(=O)/C=C\c1ccncn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	754029726	LAGFVKKALGUUOI-XQRVVYSFSA-N	417.321	5.139	30	20	HKED	
N#C[C@H](C(=O)Cc1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	756232212	SGZDNVCVBBZASY-CYBMUJFWSA-N	423.271	5.814	30	20	HKED	
C/C(=C/c1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	756508140	JTXJNSLJGKBJAL-DMIOIOJGSA-N	420.868	5.406	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(F)(F)c1c(F)cccc1F	756928064	XENHNLZBOMPIDG-UHFFFAOYSA-N	415.346	5.063	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	759037894	LHOWUOMNZXAIGO-IAGOWNOFSA-N	417.575	5.057	30	20	HKED	
C/C(=C\c1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	759183958	NVVMVHPLTLEDSG-ONOODXEBSA-N	423.925	5.209	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F	762191034	UYIRJSOWMLRMHE-NTCAYCPXSA-N	409.795	5.002	30	20	HKED	
Cc1c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)oc2c1ccc1ccccc12	764310418	IXHCOVFTOQAFOY-UHFFFAOYSA-N	405.797	5.580	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CN(CCC#N)Cc1cccnc1	768140672	SQDCGSYLVUIHDJ-UHFFFAOYSA-N	407.949	5.134	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](Cc2cccc(OC)c2)c2ccccc2)c1	772983448	IIMNNVKNKMFUKN-ZEQKJWHPSA-N	400.522	5.450	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCc2c(Cl)cccc21	776075991	ADFDDTBNVKNMBD-HZPDHXFCSA-N	407.684	5.024	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cccc(C(=O)OC(C)(C)C)c2)S1	777869042	DXLCTOFUVWKCNE-QGOAFFKASA-N	408.523	5.150	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc([C@H]3CCCOC3)cc2)cc1	780310358	YTUQBTWVNYVILB-JWNTYJGQSA-N	404.510	5.055	30	20	HKED	
Cc1c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cccc1C(=O)Nc1ccccc1	780535003	ABKLLABCCCYMQD-MRXNPFEDSA-N	414.465	5.182	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)c1ccccc1	780673891	GFUNJFIDGMQJGF-UTKZUKDTSA-N	419.456	5.058	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1ccc(Cl)nc1)c1ccc(-c2cccc(C#N)c2)cc1	782753676	LVRJGKGILMCEPG-INIZCTEOSA-N	404.901	5.176	30	20	HKED	
C=C(C)CN(CC)C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1	783869298	WZCDVCGOUGGHFB-UHFFFAOYSA-N	415.559	5.119	30	20	HKED	
CCCCCCCC[S@@](=O)Cc1nc(-c2ccc(Br)s2)no1	790139403	MBDGIDUVBZCPLN-JOCHJYFZSA-N	405.383	5.170	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)c2C(C)C)cc1	791190128	LWEAKTCQVMSYNJ-UHFFFAOYSA-N	413.481	5.120	30	20	HKED	
COc1cccc2c1CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O	799502777	QJNQWKQDEARRMF-QINSGFPZSA-N	422.481	5.188	30	20	HKED	
C[C@H](O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F	804802383	IAKWJGWNEDQQEA-ZDUSSCGKSA-N	410.832	5.449	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3ccccc3[C@@H]2C)cs1	809158674	BSFKZZMRPUZFBR-HSWQHBDASA-N	408.910	5.865	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2ccccc2cc1F	883978880	XFTWSWQQPCGGHV-WDNDVIMCSA-N	407.329	5.618	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C#N	915199953	POOMNKQUJMKLJS-OAQYLSRUSA-N	424.529	5.460	30	20	HKED	
Cc1ccc(SCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915353754	WTESSBSRGPMDJW-QHCPKHFHSA-N	401.535	5.564	30	20	HKED	
CC(C)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-]	916546519	WCMRFIDQVJGHDL-UHFFFAOYSA-N	415.906	5.138	30	20	HKED	
FC(F)SCc1ccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1	916834478	QNJBWCXAAAGLLG-RKDXNWHRSA-N	411.358	5.735	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1ccc2ccccc2n1	916848876	PWUQDHKUKWAISY-IBGZPJMESA-N	419.322	5.686	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C)n(C3CCCCC3)c2C)c1	916896382	FRRJNMXDVPTFMQ-WHIOSMTNSA-N	403.526	5.279	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(Oc2ccccc2)c1	916916409	YYAGDYYZOIGCLI-QHCPKHFHSA-N	406.441	5.593	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc3ccccc3o2)cs1	917561362	DHQWIZURPBDVIT-DHZHZOJOSA-N	422.893	6.123	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(Cc2cccs2)C(C)C)c1=S	919954119	IRFRORVAYAQURU-UHFFFAOYSA-N	402.564	5.336	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1	919994134	ARJWIEBVMWDVIW-UHFFFAOYSA-N	418.840	5.343	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	920016788	HZCVMJKKVGGCPH-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	920112818	KLQKJXIXHBUDOY-KSSFIOAISA-N	410.926	5.645	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	920998438	SRCPMCHJIAXHKC-UHFFFAOYSA-N	402.479	5.118	30	20	HKED	
Cc1cccc(C)c1CCn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1	1289896875	WGQRZNMHRHAYGH-UHFFFAOYSA-N	405.590	5.000	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824676187	QKQPBDBWJUQCMN-FQEVSTJZSA-N	416.631	5.282	30	20	HKED	
C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1	1831576943	JMMLSJIQZXIDCC-JOCHJYFZSA-N	402.623	5.016	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccccc2CC)cc1	22730928	MDHOGGXUPMKUIP-UHFFFAOYSA-O	419.570	5.295	30	20	HKED	
C=CCN(C(=O)c1sc2cccc(F)c2c1COC)c1nc2c(s1)CCCC2	24106512	IWTWJVCYXKIFSD-UHFFFAOYSA-N	416.543	5.355	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1	32789572	YJFDSZRREFHUKD-UHFFFAOYSA-N	420.582	5.083	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C#N)cc1	48161823	QOGVNQDTKBHBKX-GOSISDBHSA-N	410.477	5.086	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2cccc(F)c2)no1	49723944	XFDDCDGFFNQNAF-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
N#CCCCOc1cccc(N[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1	56199910	XYOOWSURHYMSMK-HSZRJFAPSA-N	403.457	5.300	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1Cl	58477566	UPSNDPAWUMUKFA-OAQYLSRUSA-N	413.864	5.903	30	20	HKED	
COc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1OCc1ccccc1Cl	64320775	ITGZYQPNDDEXFF-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cs2)o1	65680391	BUEFHJNOTYNQPK-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	108417525	SDMUREAYUWKIKJ-IBGZPJMESA-N	413.521	5.700	30	20	HKED	
COc1cccc([C@@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	195609564	FUULCKNFRKXPEU-GOSISDBHSA-N	400.478	5.082	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1	210299097	GIJJZQPUWHFPBJ-ZSOIEALJSA-N	419.452	5.138	30	20	HKED	
C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1ccccc1C	301730936	XNQRTZMZOSDTRH-UHFFFAOYSA-N	409.465	5.472	30	20	HKED	
C=CCN(C(=O)c1cccnc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	303260284	FBQUGWUDEFQOFH-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
N#Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	429374295	VKCXGOPPDAAEPH-GFCCVEGCSA-N	404.303	5.540	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)c1ccco1	430619447	BEQMEKUMQOQUEL-HNNXBMFYSA-N	407.495	5.084	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1	432691226	XYIHVTKXOBOXDH-FQEVSTJZSA-N	402.454	5.089	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1	435098232	XDFTYGKOMHDUPJ-VGSWGCGISA-N	406.530	5.038	30	20	HKED	
CCn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C(F)(F)F)n1	439109438	PFQYJATUNFDRSZ-UHFFFAOYSA-N	414.387	5.147	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1F)c1ccc(C(F)(F)F)cc1	441552775	RMINNEMFDVUJSZ-LJQANCHMSA-N	408.395	5.240	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1	445827468	QDPBMECQYCTKQN-QGZVFWFLSA-N	407.807	5.398	30	20	HKED	
COc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1C(F)(F)F	448081682	CDQZCTQQHSNMQQ-AEFFLSMTSA-N	403.404	5.018	30	20	HKED	
C=C(C)Cn1c(-c2ccoc2)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1	460945339	ADOCRCRFPMKKGH-UHFFFAOYSA-N	423.567	5.170	30	20	HKED	
COc1cc(CNC(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N	462471220	FPXMOZSLDJDEON-CQSZACIVSA-N	417.431	5.021	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)n1	468636846	BUFNGFPNUKFVCL-CYBMUJFWSA-N	418.444	5.801	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	468676890	MUYYQVJUCHNDHX-QWHCGFSZSA-N	400.338	5.192	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1	470194719	QLDAJSBLZDEZLV-UHFFFAOYSA-N	413.543	5.130	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	470623597	IZSWXHXJNFOJIU-BLLLJJGKSA-N	408.807	5.417	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(Br)c(C(F)(F)F)c3)o2)c1	471608919	HEZMZXRBYXJKRR-UHFFFAOYSA-N	423.192	5.002	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(C(C)(C)C#N)cc1	475463820	VCNUYIYYIBSRDX-UHFFFAOYSA-N	415.537	5.628	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1	475566041	GMEGAHVHOSVOQH-QGZVFWFLSA-N	420.557	5.705	30	20	HKED	
N#CC[C@@H](CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)c1ccccc1	475922487	TZZQLBZXPZMVGE-IBGZPJMESA-N	418.518	5.140	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C1CC1	477230345	CQUUAADVHIWHRD-MRXNPFEDSA-N	416.550	6.007	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OC(F)(F)F)c1	477340574	IFDLDWAHMLMDME-UHFFFAOYSA-N	413.355	5.205	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nnc1-c1ccco1	478519597	UFKKEHUVRDJADV-OAHLLOKOSA-N	424.309	5.037	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F	481284873	MCLRGEKQDXCHBJ-SFHVURJKSA-N	400.489	5.063	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccccc1C	481349989	ZNHOTHOMBLLZSL-UHFFFAOYSA-N	421.501	5.229	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1C	481401875	LQMURUGSDGZYBH-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
C=C(C)[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1	481591114	JRQBKUUIMUGPCO-GOSISDBHSA-N	418.793	5.483	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1	481790971	UZFGXKJXOLYTLL-OAHLLOKOSA-N	423.513	5.164	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nnc1-c1ccccn1	488917654	WCZMXRBQNXWTBT-UHFFFAOYSA-N	424.529	5.072	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)c2ccccc2Br)nnc1-c1ccncc1	489399824	CWACPAHRPJUSRU-CQSZACIVSA-N	415.360	5.532	30	20	HKED	
Cc1ccc(-c2nnc(SCc3cc(C#N)ccc3Br)o2)cc1C	491892163	MPFWZZFFQSSEPA-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccc(C#N)cn3)ccc21	495268297	UUJBHQPGULBYQC-HNNXBMFYSA-N	400.507	5.200	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(N2CCCCCC2)nc1	499690465	ABKMGBAOHJFWRR-UHFFFAOYSA-N	418.994	5.075	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1	500308635	ZJFZYHLZVOPFMI-SFTDATJTSA-N	411.343	5.109	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[nH]c(C(F)(F)F)c1	504186096	VJLXBAQJHPXJKO-NSHDSACASA-N	418.259	5.476	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2)n1	505934183	VGCXPDRQHPZOKC-QGZVFWFLSA-N	401.413	5.132	30	20	HKED	
COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1	515539264	LNOZKLZXIHZARZ-CQSZACIVSA-N	424.432	5.054	30	20	HKED	
C=CCc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC	515543720	PXZOHLJWNBNUPV-SFHVURJKSA-N	404.491	5.046	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ccccc3Cl)c2)c1	515676676	SLAMRESSLIBVCX-UHFFFAOYSA-N	403.869	5.035	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCC(=O)c3ccc(F)cc3F)c2)c1	516498929	XGSMESSUSIVELT-UHFFFAOYSA-N	420.415	5.017	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(Br)c1	517472975	HQWVUDDPWKBMRC-CYBMUJFWSA-N	404.333	5.023	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccccn1	517530223	PZABHYYXEWABSW-VGSWGCGISA-N	402.523	5.387	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	518667240	ZMEFPMRPEIBJSS-CQSZACIVSA-N	407.461	5.459	30	20	HKED	
CCN(CC)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	518786297	RVXGCGDJWOJBAY-UHFFFAOYSA-N	416.550	5.344	30	20	HKED	
CC(C)Oc1ccc(CC[C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1	519063113	GHFBGRHRDPWTMB-FQEVSTJZSA-N	407.558	5.287	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ncc(-c4ccccc4)o3)c2)cc1	519196596	JUAHWALBVSSCLR-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
CC(C)c1nc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1	519419811	ODBJEMOFGZQPQM-CQSZACIVSA-N	405.614	5.533	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](CN2CCCCCC2)C1	519450327	AHXDEXORAGDYDR-VQTJNVASSA-N	414.619	5.058	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1SC	520939046	KMPSZIUFBLHZIZ-OAHLLOKOSA-N	415.584	5.475	30	20	HKED	
N#Cc1ccc(F)c(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1	522068506	WMWRAAKWWPFRSD-UHFFFAOYSA-N	418.447	5.039	30	20	HKED	
CC(C)c1nc(CCNC(=O)c2ccccc2Sc2ccccc2C#N)cs1	522549341	NNNWQVQHXSGCMC-UHFFFAOYSA-N	407.564	5.262	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2csc(C)n2)cc1	522822457	IPQJAEUBTOVASJ-UHFFFAOYSA-N	404.539	5.112	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C	522837431	ZISJEYLZZFESSS-CVDCTZTESA-N	421.541	5.622	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1	523133737	WFUQMXDVUZBWOM-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(-c2ccccc2)cc1	525200627	MGFNMKVBYPHGSY-UHFFFAOYSA-N	408.457	5.674	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@H](C)S1	525221629	IGJLYHDONQXPMD-KBPBESRZSA-N	401.919	5.362	30	20	HKED	
Cc1cc(C)cc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	525418475	FECQBTJGOCYMCA-UHFFFAOYSA-N	413.521	5.313	30	20	HKED	
N#Cc1ccccc1N1CCN(C(=O)Nc2cccc(CSC3CCCC3)c2)CC1	525447568	NBLZMWSEUKTLAB-UHFFFAOYSA-N	420.582	5.088	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1	533919658	SUXKHNADEMHABI-UHFFFAOYSA-N	401.413	5.071	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1F	535588622	WJFSXACUYFUSCD-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1	536630314	QYDOGOXSKCEJKG-CQSZACIVSA-N	423.925	5.065	30	20	HKED	
CC(=O)c1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	537442580	UDODZOKNXIYQTB-HNNXBMFYSA-N	407.285	5.081	30	20	HKED	
CCN(C(=O)c1sc(-c2ccc(OC)cc2)nc1C)c1ccc(C#N)c(Cl)c1	539173339	FQLWYXJQPHAZEM-UHFFFAOYSA-N	411.914	5.319	30	20	HKED	
N#CCC1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1	541036606	YTBQCMPSIWUQQU-HXUWFJFHSA-N	402.325	5.418	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)oc2c(Br)cccc12	541091731	LESHHMVCTOPGBH-GFCCVEGCSA-N	411.280	5.604	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1	542026694	OYJSODRYBKMTLE-UHFFFAOYSA-N	401.457	5.456	30	20	HKED	
CCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	542979486	ZEJYWYJRPOVVQB-CVEARBPZSA-N	404.539	5.366	30	20	HKED	
CCc1c(C)sc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c1C#N	551097488	JXUKLHCVNOIHIG-UHFFFAOYSA-N	409.458	5.680	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC=C(c2ccncc2)C1)c1ccc(C(F)(F)F)cc1	553994099	YROWQTKEOXIPQK-OAQYLSRUSA-N	415.459	5.607	30	20	HKED	
CCCCc1ccc([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	554594530	OEROWJZSVZWEMP-DEOSSOPVSA-N	418.585	5.388	30	20	HKED	
Cc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	554765225	QDKIQXKCIAOMIC-UNMCSNQZSA-N	419.916	5.138	30	20	HKED	
CCc1noc(C)c1-c1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	556014893	YPZOQHFWUNWTGL-UHFFFAOYSA-N	406.829	5.580	30	20	HKED	
C=CCn1c(SCc2ccncc2Cl)nnc1-c1ccc(Br)cc1	556324352	LPYNTPKURCQVKW-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(F)cc1	557216094	BRPSLIQOUQCAET-CQSZACIVSA-N	407.474	5.174	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	558650018	DABVCTZMMCHSBZ-HYBUGGRVSA-N	418.585	5.559	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCCc2ccccc2)CC1	561204711	MXEQDRDCXSJUAC-LJQANCHMSA-N	423.582	5.194	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3cccc(OCc4ccccn4)c3)cc2)ccn1	568451628	JCFQKTXOFZGJGL-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
CC[C@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1	569432870	LQOMFUZQTIEECC-XZOQPEGZSA-N	420.354	5.740	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	570485029	QCDZZLJAYVNEHA-OAQYLSRUSA-N	411.839	5.137	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1	571480493	MLGIUPNYVQZSCT-MRXNPFEDSA-N	411.221	5.025	30	20	HKED	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCC(C)(C)CCC#N)CCO2	574190510	BODZZWISGUFKDT-JOCHJYFZSA-N	421.541	5.061	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C#N)c4ccccc4n3)c12	582571111	WTWJGNDFPDKZIO-UHFFFAOYSA-N	423.407	5.010	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(F)c(C#N)c2)c1	585735978	BQPPLEVLCWESLA-QGZVFWFLSA-N	415.468	5.059	30	20	HKED	
Cc1ccc(Br)cc1-c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1	586757285	YXSMUBJDTSTNKE-GOSISDBHSA-N	409.287	5.021	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1sc2ccccc2c1Br	589401725	LSMDZGWLLONXNI-UHFFFAOYSA-N	417.353	5.922	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1	589741646	MXJFMGSCWPCZJI-UHFFFAOYSA-N	423.488	5.532	30	20	HKED	
Cc1cc(N[C@@H]2CCOC3(CCCC3)C2)c(C#N)c(N[C@@H]2CCOC3(CCCC3)C2)n1	590587186	XACDQCMCVCOOQR-WOJBJXKFSA-N	424.589	5.069	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1	603733501	SATQTDBKLCSOQO-VWLOTQADSA-N	412.514	5.443	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1	603996846	ZNKBOXQBHCXQMS-KBXCAEBGSA-N	407.539	5.126	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC2CC2)c2ccccc2)cc1	608290407	PPUSYPLKDRCAQX-QHCPKHFHSA-N	403.526	5.164	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ncccc1OCCCC#N	608868716	UWBJNMNOOGJUKY-GFCCVEGCSA-N	410.326	5.190	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1	609434903	ZLNIABKUSYXCTN-GHTZIAJQSA-N	408.571	5.039	30	20	HKED	
N#Cc1cc(F)c(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c(F)c1	609517082	LICIABHZTAYRRI-UHFFFAOYSA-N	422.410	5.182	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609912062	MWFSUOGFRXVUKB-MRXNPFEDSA-N	405.885	5.102	30	20	HKED	
N#Cc1c[nH]c2ccc(Cl)cc2c1=N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	610246215	QSBQKJFSUFQSFZ-PJXYFTJBSA-N	421.772	5.503	30	20	HKED	
COc1ccc([C@H](C)CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	610321334	QOTXCJAIOOFHKX-QGZVFWFLSA-N	416.481	5.069	30	20	HKED	
CCCOc1c(Br)cc(CN[C@@H](C)c2cccc(C#N)c2)cc1OCC	610345981	FTJQAJZQAQEQQU-HNNXBMFYSA-N	417.347	5.359	30	20	HKED	
Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2)cc1	619818412	GUKMYTLGJPKFCT-XMMPIXPASA-N	417.582	5.057	30	20	HKED	
CCCn1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C1CC1	677974393	ICKHAZNRVUCBKL-ZDUSSCGKSA-N	418.444	5.289	30	20	HKED	
COc1cc([C@@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OCC(C)C	726459880	REZXXXSDHYHXCI-CQSZACIVSA-N	417.962	5.303	30	20	HKED	
Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c(C)n1[C@H](C)c1ccccc1	726958269	UCWDNNKXXMEQSV-GOSISDBHSA-N	402.498	5.044	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCSc2nc3ccccc3s2)cc1	731193032	ZPIJTQOCHQGDGI-UHFFFAOYSA-N	411.552	5.124	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2cccc(C)c2)CC(C)C)ccc1OC	733656863	PWTPEHJBZAWKAN-QFIPXVFZSA-N	423.557	5.052	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3cccc(Cl)c3)n2)cc1	737325507	HDIMQUBVJHBVTA-SFHVURJKSA-N	410.926	5.626	30	20	HKED	
CS[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	740530903	GEEVHTDMTGCGKV-DYVFJYSZSA-N	406.454	5.596	30	20	HKED	
CS[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	740530905	GEEVHTDMTGCGKV-GUYCJALGSA-N	406.454	5.596	30	20	HKED	
Cc1ncsc1/C=C1\CC(C#N)(c2ccccc2)C/C(=C\c2scnc2C)C1=O	742431964	QVHAEKCJFDZQLZ-YPOGWSRFSA-N	417.559	5.508	30	20	HKED	
COc1cc(/C=C2/C(=O)c3ccsc3S[C@H]2C)ccc1OCC(F)(F)F	742437896	YNWOARZZUWJOFE-JLATVTFTSA-N	400.443	5.458	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1	744032057	BKJQWMDDHCAPOR-KBXCAEBGSA-N	422.554	5.233	30	20	HKED	
C[C@@]1(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCc2ccccc2C1	744073643	FDCZMQGNNAWZNK-WAIKUNEKSA-N	408.473	5.460	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	744841339	WWDGXEMNCWSZIV-IXFSTUDKSA-N	422.525	5.046	30	20	HKED	
Cc1ccccc1-c1cnc(COC(=O)c2occc2COc2cccc(C#N)c2)o1	744926501	YYSCNMUILRNJTO-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
Cc1ccc(CCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	746416822	QBKNMLJFNBRTLX-QGZVFWFLSA-N	403.309	5.362	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)O[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	748415670	HQCBIFLGWOKNKD-LLVKDONJSA-N	402.237	5.142	30	20	HKED	
Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1NC(=O)c1ccccc1F	748676873	DXPLNEUZLVFBJD-INIZCTEOSA-N	402.425	5.176	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)ccc1OC(C)C	758411503	XIARMGMLNPQCQJ-QGZVFWFLSA-N	409.486	5.261	30	20	HKED	
Cc1cc(/C=C/C(=O)c2cc(Br)ncc2F)c(OC(F)F)cc1C	762424888	UKALIQAYQRLWNF-ONEGZZNKSA-N	400.194	5.098	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C#N)s2)cs1	762446150	DMYOGFRQKZKMIF-YWEYNIOJSA-N	413.911	5.310	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)Cc2ccc(OCCOc3ccccc3)cc2)n1	765961567	ZLKHSODKGOTNNH-OAQYLSRUSA-N	420.534	5.143	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1	768064007	AWDPVHFICGSTTK-NRFANRHFSA-N	405.479	5.188	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cccc(-c3cccnc3)c2)nc(-c2cccnc2)n1	768485378	QFBISEFPUBSDMI-UHFFFAOYSA-N	420.398	5.065	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1ccc2ccccc2n1	778288436	HRIINTRAZDSVEY-NRFANRHFSA-N	416.484	5.383	30	20	HKED	
C=CC[C@H](C(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccccc1	778419943	XPLOGPVKSSUXAF-NRFANRHFSA-N	420.534	5.036	30	20	HKED	
CCc1cnc(/C=C2/CC3(CCOCC3)C/C(=C\c3ncc(CC)s3)C2=O)s1	783711236	WAVXVDPEIDPZCE-CKOAPEAFSA-N	414.596	5.351	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	787039741	IDXDIPUZGVFFAU-MSOLQXFVSA-N	423.925	5.053	30	20	HKED	
O=C(/C(=C/c1ncc(C(F)(F)F)s1)c1nc2ccccc2s1)c1ccccc1	788347440	YIOOUHKCNOZYPD-RAXLEYEMSA-N	416.449	6.195	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc(Br)c(Cl)c1	790465434	UUBOFKGRFHQQHQ-JTQLQIEISA-N	410.724	5.144	30	20	HKED	
N#Cc1ccc(CSc2nnc(NCc3ccc(CSC(F)F)o3)s2)cc1	790518174	JXKGRJFHXCWLOW-UHFFFAOYSA-N	424.523	5.363	30	20	HKED	
O=C1CSc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2N1CC(F)F	790574697	NXOZLAUPIVGQOI-UHFFFAOYSA-N	417.264	5.153	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)Cc2cccc(C(F)(F)F)c2)ccc1OC	798930493	RPDHACMDNOLXIY-KXBFYZLASA-N	406.448	5.116	30	20	HKED	
C[C@](O)(c1ccc(OC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1)C(F)(F)F	802109627	ANDDXWTUXIXZTJ-HOCLYGCPSA-N	410.285	5.091	30	20	HKED	
CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)CCCCCC#N)ccc21	805697432	VLAZBDRGFUXFLN-QGZVFWFLSA-N	405.498	5.159	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nccc2ccccc12)c1ccc(F)c(Br)c1	813089769	HLWGEIBOAIGGGV-CXAGYDPISA-N	411.274	5.506	30	20	HKED	
C=CCCC[C@@H](C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1	883985801	CJIVYFXUGVNURP-UXHICEINSA-N	409.492	5.334	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4cccs4)no3)n2)cc1	915100571	VKHNDQADXKSMBO-OAHLLOKOSA-N	420.519	5.039	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cccc(OC(F)F)c3)c2)cc1	916128795	CILGYFVFNDEGGE-JYRVWZFOSA-N	423.415	5.445	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2s1	916846090	HOEINYRBZOUFKE-UJZCVKTISA-N	406.816	5.858	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1	916915553	FLAQDLPSKICMEQ-LJQANCHMSA-N	411.486	5.233	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3	916916544	VPWPOWGJZRPPEZ-OAQYLSRUSA-N	407.473	5.161	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C\C(=O)c2ccc(-c3ccccc3Cl)s2)cc1	918156836	URXHFBILKQPLLJ-FLIBITNWSA-N	402.924	5.368	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Cl)s3)n2)cc1	920140685	AWBBHNGMXFUHJE-VFADXPBXSA-N	400.912	5.423	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc1	921237996	SXXPXLFDLVFKIE-UHFFFAOYSA-N	411.383	5.691	30	20	HKED	
CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1	1788649691	XCWZUUQIYVSFGM-VAWYXSNFSA-N	424.566	5.057	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCc3ccsc3)CCC2)cc1	1791299636	UCAIQOSCWWTNSI-UHFFFAOYSA-N	418.509	5.026	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C5CC5)cc4)CCC3)cc2)CCC1	1792233555	QJGFCGYTJROPDY-UHFFFAOYSA-N	413.521	5.006	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)[C@@H](C)CC	1795568704	TZTKXEHXFZMXET-BNFFBFCJSA-N	422.613	5.223	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)CC1	1823694658	YLUZGAZYOOVKCN-VQTJNVASSA-N	424.576	5.034	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1	21514550	DHHFUFJJWMHJHF-UHFFFAOYSA-N	419.350	5.030	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2ccc(C#N)cc2)cc1	32616961	PGGRNVBXGXVKQN-UHFFFAOYSA-N	423.516	5.306	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)s2)cc1	41539727	KYUKMMWJEFVYEF-MRXNPFEDSA-N	403.463	5.149	30	20	HKED	
C[C@@H](COc1cccc(F)c1)NC(=O)c1ccccc1Sc1ccccc1C#N	65731769	KDKJJLQNZSILQB-INIZCTEOSA-N	406.482	5.046	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C2SCCS2)c1	302648087	GAJRUXXMHNATQH-UHFFFAOYSA-N	402.544	5.956	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)cc1	303097522	GGNIQWJQANIDDA-SFHVURJKSA-N	415.493	5.893	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1	303367607	JARDGOHNSNTRDI-ZIAGYGMSSA-N	405.470	5.422	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1ccc(C#N)cc1Cl	426162055	OOICVTCHDDNLBW-AWEZNQCLSA-N	410.930	5.869	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)s1	430598516	SSNASIGWSVPIPB-GOSISDBHSA-N	418.522	5.575	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)s1	430623040	GWJKCRJNFPPVJI-CQSZACIVSA-N	418.444	5.135	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)c1ccc(Br)cc1	431927606	SGSCHFIOBDUSRO-LSDHHAIUSA-N	417.372	5.833	30	20	HKED	
N#Cc1cc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)ccc1OCC(F)(F)F	432721745	ZUGAZIOETWAOFP-IBGZPJMESA-N	415.415	5.258	30	20	HKED	
N#CCCn1cc(CNc2ccc(Br)c(Cl)c2)c(-c2ccccc2)n1	433305598	OCYVMQRGUSTGDB-UHFFFAOYSA-N	415.722	5.492	30	20	HKED	
C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	434237665	RXBQGTGXYXHVCZ-SANMLTNESA-N	411.505	5.231	30	20	HKED	
N#Cc1ccc(C2(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)cc1	435933283	DSWZLCGJRSIZAO-HSZRJFAPSA-N	405.501	5.019	30	20	HKED	
N#CCCN(C(=O)CCC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1)c1ccccc1	436457104	XALNMUYESAZZFJ-JOCHJYFZSA-N	423.944	5.121	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437496982	MEIZWJLRPXRYIR-WOJBJXKFSA-N	402.425	5.240	30	20	HKED	
COC[C@H](C)Nc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	437589016	JJBYVUCQORIAMX-KRWDZBQOSA-N	401.466	5.050	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc1	437839634	HXMAKERKYVEFPS-FDDCHVKYSA-N	421.516	5.255	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@@H]1c1cccc(Br)c1)c1ccccc1	438848766	QIQGHUUHMMEOMI-VQTJNVASSA-N	412.331	5.341	30	20	HKED	
C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1noc(Cc2ccccc2)n1	444688262	YFHPGAWXCSFKEG-NRFANRHFSA-N	422.532	5.211	30	20	HKED	
CCN(Cc1ccc(OC)cc1OCc1cccnc1)[C@H](C)c1ccc(C#N)cc1	447744513	YGPKCLDVKBQYCG-LJQANCHMSA-N	401.510	5.124	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464428575	UBQCQVHGMJDDBF-AWEZNQCLSA-N	421.831	5.676	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	465125695	HBUPCDSHFOHHPL-CJFMBICVSA-N	414.505	5.052	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	466563492	BYPLERIFSSIRDM-CQSZACIVSA-N	407.461	5.730	30	20	HKED	
Cc1c(-c2cc(CSCc3ccc(-c4ccccc4C#N)cc3)on2)cnn1C	467309363	VGIVBTACTJGHTK-UHFFFAOYSA-N	400.507	5.356	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	469317094	XNOOPXHRBLGUCY-FQEVSTJZSA-N	408.567	5.129	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C	469938413	KGBVLRHBEDHCDK-UHFFFAOYSA-N	422.485	5.004	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	470356164	GOYPCGXJARKDFU-SFHVURJKSA-N	403.404	5.545	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@H]1c1ccccc1	472747310	GSOIBOIOHGGQNL-QKNQBKEWSA-N	407.583	6.128	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1occc1COc1cccc(C#N)c1	475916892	PMDUYDNOYUJNQC-MRXNPFEDSA-N	423.538	5.452	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	476802565	HZPCWMZDVOKODG-LJQANCHMSA-N	414.958	5.634	30	20	HKED	
C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1	477638110	LNKYMWJWGFBMTP-SFTDATJTSA-N	417.553	5.077	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)s1	477842184	PJDARUIQELEODQ-OAHLLOKOSA-N	401.413	5.331	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3ncc(Cl)c(C)c3C#N)CC2)n1	478147469	KOBYXCRJQYENNC-UHFFFAOYSA-N	424.957	5.431	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3)cc2)cc1	478216878	VSQREMAYXABLPI-OAQYLSRUSA-N	400.453	5.314	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1	478342307	MYHAUOPJZFTULD-ZDUSSCGKSA-N	401.507	6.095	30	20	HKED	
CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCCc2cccnc21	479345287	DXXCHDMVFPETMR-JOCHJYFZSA-N	412.493	5.070	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1cccc(Cl)c1	483220095	NNXGIDYQURQKQG-FQEVSTJZSA-N	414.896	5.687	30	20	HKED	
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	483444781	XQLMQFIEXRACQQ-KRWDZBQOSA-N	413.477	5.131	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1C	485760093	VPZDZOHEXUSECS-HDICACEKSA-N	422.594	5.644	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	486142244	HFPQKDBANLPTCB-VFNWGFHPSA-N	401.535	5.288	30	20	HKED	
C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1	489480425	KVWYYWMNSFAAQZ-WXNAFCGMSA-N	421.544	5.733	30	20	HKED	
CC(C)(C)[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	490790140	DMYCBOBIXZUHTM-PKTZIBPZSA-N	423.532	5.003	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	492080993	OHWSQWUCEQREMD-UHFFFAOYSA-N	415.493	5.301	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cccc2[nH]ccc12	494568721	ZVIFVFXDCMGAAB-UHFFFAOYSA-N	410.477	5.804	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	498472064	RQUBMCHGWVXMCR-HZMBPMFUSA-N	417.214	5.161	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1	499838982	OOFRVRHGXHCAJD-LJQANCHMSA-N	404.341	5.220	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl	512085630	XMCJBALFMCKBJD-MRXNPFEDSA-N	412.917	5.131	30	20	HKED	
N#Cc1cccc(CNCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)c1	513643890	SFWKTCVLNHTTHM-UHFFFAOYSA-N	407.473	5.828	30	20	HKED	
COc1cccc(C2=CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)c1	514238440	SAUOYUUKXAITQG-UHFFFAOYSA-N	424.500	5.075	30	20	HKED	
N#C[C@H](NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccc(F)cc1	514770389	CSQVXVFXRVXVLR-QHCPKHFHSA-N	415.443	5.427	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccc(C#N)cc1	516836266	CDDJOGITRLCELP-QRQCRPRQSA-N	407.876	5.501	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccncc4)on3)cc2Cl)cc1	518323143	MHQBAHYWMSNARG-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CC1	519197629	KYSYNUUVPCYHKD-UHFFFAOYSA-N	403.404	5.052	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2cccc(O)c2)cc1Cl	522833950	VRYCRGLCHLFXHM-NRFANRHFSA-N	405.885	5.065	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1cccc(F)c1F	522920871	BUNOPMLHHDGVLA-UHFFFAOYSA-N	408.423	5.450	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1ccc(C#N)cc1	523678111	GENHYGMRXBYTLH-GOSISDBHSA-N	411.505	5.111	30	20	HKED	
CCN(CC)CCC[C@H](C)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523893799	ZCBGTHKKLHAINI-KRWDZBQOSA-N	413.949	5.244	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1	524458497	DJIIYZOSOZRXAT-UHFFFAOYSA-N	415.415	5.885	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(COC2CCCC2)cc1	524831608	CDDPLBZVYFPHDU-KRWDZBQOSA-N	409.555	6.042	30	20	HKED	
N#Cc1cc(NC(=O)[C@H]2CC23CCOCC3)ccc1Oc1ccc(C(F)(F)F)cc1	530657814	BJUKQJZACFYTRX-GOSISDBHSA-N	416.399	5.125	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(C3CC3)nc3ccccc23)cc1	530718086	HKWVRNBJQBIRCZ-UHFFFAOYSA-N	409.411	5.189	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c(C)c2c1	531440910	CTVFXRXKHIKLGF-GOTSBHOMSA-N	414.505	5.175	30	20	HKED	
COc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1C#N	533331916	NLLVMIJZEIKOFT-UHFFFAOYSA-N	422.293	5.128	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1C1CCOCC1)c1ccc(C(F)(F)F)cc1	538665457	GMWXPFRRTNJYKW-VQTJNVASSA-N	410.480	5.313	30	20	HKED	
Cc1cc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)on1	541226895	DKIZEEAROJBKRX-NSHDSACASA-N	420.231	5.054	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1scnc1C1CCCC1	546069844	YSBVIXLPCHRDNJ-UHFFFAOYSA-N	417.534	5.812	30	20	HKED	
Cc1ccc(-n2c(Sc3nccc(C#N)c3Cl)nnc2-c2ccncc2)cc1C	552901372	YMWHTYDMQIIPKT-UHFFFAOYSA-N	418.913	5.017	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2Cl)cc1	554168718	IHKKQJKGUAHDSP-HXUWFJFHSA-N	421.888	5.486	30	20	HKED	
N#Cc1cc(C(=O)N2CCCc3cc(-c4ccccc4)ccc32)cnc1C(F)(F)F	556637234	GLPJHHLXBVPXKJ-UHFFFAOYSA-N	407.395	5.232	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@H]1C[C@@H]1C	569282529	BNXSCPKDNHBKTC-GKVSMKOHSA-N	409.489	5.239	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)cc2)ccn1	569772592	JZWADXYWMAZCKY-UHFFFAOYSA-N	424.460	5.573	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1Br	580916875	LLIFRVBCSJIUOE-UHFFFAOYSA-N	412.674	5.288	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nnc1-c1ccc(OC)cc1	582997489	BKZOAHADCTZWDT-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
Cc1c(C#N)c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nc2c1CCC2	590646168	YIPXVDZOSNZKGV-UHFFFAOYSA-N	416.428	5.112	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	604044241	GGCMFFNTEQTWNS-KRWDZBQOSA-N	419.912	5.538	30	20	HKED	
C[C@H]1CCC[C@@](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)(N(C)C)C1	604438159	JHFGRNJWBHOIJC-UQBPGWFLSA-N	421.610	5.091	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(COc4ccc5ccccc5c4)o3)[nH]c12	605362530	IMIRQOOZNVKWDH-OAQYLSRUSA-N	421.456	5.687	30	20	HKED	
CN(Cc1ccccc1)CC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	608964168	LTYPHNZXVDJNJZ-UHFFFAOYSA-N	423.560	5.209	30	20	HKED	
N#C[C@H](NC(=O)CCSc1ccccc1F)c1ccc(OCc2ccccc2)cc1	609173397	QOLMKCQBGUJSRI-QFIPXVFZSA-N	420.509	5.268	30	20	HKED	
Cc1cn(-c2ccccc2)nc1NC(=O)c1ccccc1Sc1ccccc1C#N	609305634	HYJMBNOXIRXTRV-UHFFFAOYSA-N	410.502	5.456	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl	609378951	LCANDQAAPSPEGL-NSHDSACASA-N	401.340	5.046	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)cc1Cl	609384910	STLRWXHTPMBSKF-AWEZNQCLSA-N	422.381	5.316	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1	609398263	OWOIQSIQJRDFMX-KBPBESRZSA-N	422.381	6.470	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1csc(Br)c1	609438077	AYCQTAPAVZUIFP-LBPRGKRZSA-N	424.389	5.569	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(F)c1	609693947	JRTRDWSVBXVOOL-INIZCTEOSA-N	401.441	5.082	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CSc3ccccc32)cc1	609816326	HJRXNCIVUJYVTK-QFIPXVFZSA-N	417.509	5.256	30	20	HKED	
C[C@H](NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1)c1cccc(C#N)c1	610355390	PFYJOTBAUCBVOZ-IBGZPJMESA-N	416.525	5.329	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1nc2ccccc2s1	611211962	VWPJQGQCDACKMW-MRXNPFEDSA-N	423.519	5.729	30	20	HKED	
N#Cc1csc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1	611271576	ZOSLEDQQLSKZFF-QHCPKHFHSA-N	422.598	5.308	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)C1	612306300	ZEDJGTMPHVWMFZ-QHCPKHFHSA-N	404.445	5.324	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	619624711	GIPICMOCHOCBHQ-UHFFFAOYSA-N	424.464	5.099	30	20	HKED	
C[C@H](CC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)c1cccc(C(F)(F)F)c1	622566522	PYIKPEZSGIFYRT-BMLIUANNSA-N	407.329	5.600	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccnc1OCc1ccccc1	672644230	DNFVGICDBHADQW-UHFFFAOYSA-N	419.529	5.048	30	20	HKED	
CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726073810	HTLBJHAJGOKPRP-DEOSSOPVSA-N	401.485	5.924	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc(Cl)c1O	727267820	SIAPTZSVBDBDAL-BAQGIRSFSA-N	403.862	5.521	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2c(C)cccc2C1	729569850	UCTAPFFDMNUTQF-UHFFFAOYSA-N	411.505	5.344	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1F	730448616	PNCKAGYMCFZJSN-UHFFFAOYSA-N	415.490	5.237	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1	731333339	YLOSNXSHYWZBBC-LLVKDONJSA-N	420.288	5.004	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)[nH]c12	735789052	JBPCWPXRHQBLMW-LHRNQBEKSA-N	403.791	5.433	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(C)cc1	739143534	QONCUMXBPUPXGU-QAPCUYQASA-N	419.550	5.344	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1	739629323	LHFDOEZXBUATQK-UHFFFAOYSA-N	412.367	5.652	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN(C1CC1)[C@@H](C)c1ccc2ccccc2c1	739838938	BKIXVLMLKJIHAE-SFHVURJKSA-N	407.521	5.462	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	740437304	NBWOCPPKORQQBA-UHFFFAOYSA-N	418.522	5.265	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(COCC4CC4)c3)c2)s1	740443803	QCMRXUVRTBGKEX-UHFFFAOYSA-N	417.534	5.535	30	20	HKED	
COc1cccc2cc(/C=C\C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)oc12	741447786	PMKVLBXKSZKIOA-KAMYIIQDSA-N	410.491	5.054	30	20	HKED	
CN(C)[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1c(F)cccc1Cl	746125193	DHEZRMLDDNDJPI-AUSIDOKSSA-N	421.903	5.376	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)s2)c(C)c1	746417431	XWSZWBTVOZHJTA-GOSISDBHSA-N	423.925	5.350	30	20	HKED	
CC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccc2c(c1)Nc1ccccc1S2	746498459	PJUYBDQKLOVHRV-UHFFFAOYSA-N	403.511	5.888	30	20	HKED	
COCc1nc2cc(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc2o1	750989030	HAPKAPWVSYTBAO-FQEVSTJZSA-N	412.449	5.274	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)OCC	756642540	MPBVBDIPSPPBDU-MRXNPFEDSA-N	416.440	5.362	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)Cc4cccc(OCC#N)c4)cc3)sc2c1	760336314	XHSBHPMNNGRCCH-UHFFFAOYSA-N	413.502	5.355	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	766238492	UIZDFAXQYDOVJY-BBRMVZONSA-N	411.274	5.191	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1	772984345	NCUYKHXAHSWLOG-LAUBAEHRSA-N	405.567	5.959	30	20	HKED	
COc1c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C	773772604	XIMSFQANZKBYDN-HXUWFJFHSA-N	414.461	5.066	30	20	HKED	
N#C[C@@H](C(=O)CSc1cccc2cccc(Cl)c12)c1cnc2ccccc2n1	792102567	YEYRLCJHQYSJRI-OAHLLOKOSA-N	403.894	5.405	30	20	HKED	
N#C[C@H](NC(=O)c1cc(C2CC2)cnc1Cl)c1ccc(OCc2ccccc2)cc1	793372229	ZTWXZEBBQYDLEC-QFIPXVFZSA-N	417.896	5.186	30	20	HKED	
CC(C)O[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	796766701	ZCZPSHODZNTELY-GHTZIAJQSA-N	410.926	5.806	30	20	HKED	
CC(C)O[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	796766704	ZCZPSHODZNTELY-WIYYLYMNSA-N	410.926	5.806	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2csc(C)n2)cc1C#N	797667725	DKRNRWPCMTYPQT-UHFFFAOYSA-N	421.482	5.203	30	20	HKED	
Cc1ccc(-c2nnc(Sc3nc(Cl)c(C#N)s3)n2Cc2ccco2)cc1	804559258	WRRIYAUMPKSVTF-UHFFFAOYSA-N	413.915	5.028	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)s1	810521572	PZPNIVCKSAOXPX-GFCCVEGCSA-N	413.524	5.219	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1	812966098	LYDTVSCLOPGNAX-VWLOTQADSA-N	422.569	5.525	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1ccccc1	814324896	ZQDWGHOLQPLOLM-ROUUACIJSA-N	418.324	5.551	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2nc3ccccc3s2)cc1OCC	826113068	GYKVLNSFWHXAPC-UHFFFAOYSA-N	404.919	5.688	30	20	HKED	
N#Cc1c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)sc2c1CCCC2	863967368	YIEASMSQFKIKEV-UHFFFAOYSA-N	421.136	5.759	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(OCc2ccc(C#N)cc2Br)c1	864046776	VLFQNKZQIBKHGA-UHFFFAOYSA-N	403.276	5.247	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccs3)n2)cc1	916915022	AWFUHPFRUUMIQA-GOSISDBHSA-N	423.563	5.104	30	20	HKED	
CCOc1cccc2c1OCC(C(=O)[C@H](C#N)c1nc3cc(Cl)ccc3s1)=C2	917046445	CTJMRYYJNOVLLQ-HNNXBMFYSA-N	410.882	5.001	30	20	HKED	
CC(C)(C)c1ccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)C(F)(F)F)cc1	919656853	DKRMKUYPQPSPJP-SFHVURJKSA-N	405.420	5.312	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c(C)cccc12	920111554	MZPFMXXTPJLIHO-MRXNPFEDSA-N	401.249	5.318	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cnc(C(C)(C)C)s1	920362975	OWZRLTRBVPXHFN-UHFFFAOYSA-N	408.552	5.070	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1	920803776	CDDSUMDLQCKLQV-JLVNDZCYSA-N	423.469	5.588	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cc(C)[nH]c45)CCC3)cc2)C1	1785807976	ZRDMBZWVDBZXPI-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1	1790266929	CVHUCFNECHMIJC-UHFFFAOYSA-N	416.308	5.045	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1	1791300005	ZEFCYMXWBUREMR-UHFFFAOYSA-N	404.501	5.302	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1	1791946464	UCORHYCDLGBMHD-QFIPXVFZSA-N	406.526	5.033	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccccc1OC	12477447	LOBQNZONTXXCHT-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccccc3C#N)cc12	15311730	CIKRJGNGZFDVMM-UHFFFAOYSA-N	406.898	5.232	30	20	HKED	
Cc1sc2[nH]c(/C(Cl)=C/c3ccc(C#N)cc3)nc(=O)c2c1-c1ccccc1	21190927	QPJHXFPHWXPBFG-BOPFTXTBSA-N	403.894	5.569	30	20	HKED	
COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OCc1ccccc1	25318953	PTKCXOSYSPYVKG-UHFFFAOYSA-N	422.506	5.085	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCc3ccc(OC(F)F)cc3)c2)c1	32290806	JQZOIRGZGGOGCN-UHFFFAOYSA-N	422.431	5.310	30	20	HKED	
CCCCSc1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)s1	54441314	XBFCYEQSEQFBKQ-UHFFFAOYSA-N	412.993	5.076	30	20	HKED	
Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	65648317	GLYSAYLWMHZYCJ-UHFFFAOYSA-N	400.478	5.485	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1	108975397	CFAIBQHLTYEXPJ-UHFFFAOYSA-N	401.297	5.327	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2cccnc2)n(-c2ccccc2C(C)C)c1=S	110493579	CFSNMGXELCQQRJ-GOSISDBHSA-N	420.586	5.028	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl	195618131	FUWNIRJSHXPGAT-CYBMUJFWSA-N	408.304	5.687	30	20	HKED	
C=CCn1c(SCc2csc(-c3cccs3)n2)nnc1-c1ccccc1F	216283340	LLNDOSUICPQHMI-UHFFFAOYSA-N	414.556	5.748	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1	303195469	GHOBEHKWBHSUBL-UHFFFAOYSA-N	420.538	5.469	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1CCc1ccccc1	303263443	FSSWAXBSYSSGLS-IBGZPJMESA-N	400.547	5.976	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1	303906903	QQVSCMQHIXIJOT-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2cccc(OCCCC#N)c2)cc1Cl	326612875	KCUHGERHINVFQK-UHFFFAOYSA-N	407.695	5.346	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	428645535	YUQAKOWUJQDTNK-UHFFFAOYSA-N	416.525	5.340	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](OCC2CC2)C1	429354595	CMSGNALKRKPFCL-QFIPXVFZSA-N	405.498	5.082	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(COc4ccc5ccccc5c4)o3)nc12	429565909	IQJAUOXDGGCWNE-HXUWFJFHSA-N	422.444	5.082	30	20	HKED	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)c1ccc(C#N)cc1	434519785	BYTMUQDECJMXMB-HZPDHXFCSA-N	403.448	5.377	30	20	HKED	
CC(C)[C@@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	434611272	FMNBOXNLXXYXIT-SBUREZEXSA-N	413.562	5.488	30	20	HKED	
CC1CCC(N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	438070222	WMKKOAXYWVNLPX-PCODVIEZSA-N	415.603	5.530	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(C#N)cc1	438649178	LUYXYYWIVIBKKI-OAHLLOKOSA-N	400.413	5.244	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C2(Cc3ccccc3Cl)CC2)cc1	439108945	FYKPLDPUJACIPC-UHFFFAOYSA-N	406.835	5.125	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c2)cs1	443851282	DEYPHPVGIWJZTJ-UHFFFAOYSA-N	401.516	5.971	30	20	HKED	
C[C@H](C(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1cccc(C#N)c1	462451676	KBIZOWAKXBGJAR-AWEZNQCLSA-N	407.926	5.024	30	20	HKED	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	463108430	WIVCPFPQUNTFFQ-WVBUVRCRSA-N	407.514	5.366	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccoc1C(F)(F)F	464317964	FQEJBBQSXLUEHU-JTQLQIEISA-N	405.216	5.351	30	20	HKED	
CC(C)C[C@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	467048907	UBYWGKSDOYEWRC-JOCHJYFZSA-N	405.542	5.764	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cccnc3Oc3ccc(Cl)cc3Cl)cc2)CC1	470137280	SDBHOJOCGOGJMB-UHFFFAOYSA-N	424.287	5.988	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H](CC#N)c2ccccc2)cc1	475253377	FUBGXCVNTPBQNI-WIOPSUGQSA-N	416.496	5.322	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](C)c1nc(-c2ccccc2)no1	475544513	GNCLOZYYLAMRSQ-KRWDZBQOSA-N	404.514	5.514	30	20	HKED	
CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CC2	476669559	LUPGKYPLALANHY-JTSKRJEESA-N	412.537	5.054	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(COc2cccc(Br)c2)o1	477765801	CGACAADPGPPQGD-UHFFFAOYSA-N	419.319	5.023	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1	480562620	ISMJTKIXYFFZPF-INIZCTEOSA-N	413.974	6.146	30	20	HKED	
CCS[C@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	481324517	XEGLJUHIHGWAMJ-QFIPXVFZSA-N	423.582	5.585	30	20	HKED	
Cc1cccc([C@@H](NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C(F)(F)F)c1	482041024	VZXJLXGKBBCPGG-LLVKDONJSA-N	422.291	5.125	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1	482916334	SGENDTWEBCDFCW-UTKZUKDTSA-N	411.546	5.386	30	20	HKED	
C[C@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	488873282	IAHJFQRLNWBSCB-ZDUSSCGKSA-N	418.950	5.227	30	20	HKED	
Cc1csc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1Br	489742087	IPLHIBKLIAQTLU-NSHDSACASA-N	404.116	5.121	30	20	HKED	
CC(C)n1ncc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1-c1ccccc1	489745580	NNVWOQBUMOTNAT-LJQANCHMSA-N	413.308	5.432	30	20	HKED	
Cc1ccn(-c2ccccc2CNC(=O)c2ccccc2Sc2ccccc2C#N)n1	494928884	HXFCBESZRRNODS-UHFFFAOYSA-N	424.529	5.134	30	20	HKED	
COc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1C(C)C	495335389	GHLRWQYKOOTPBU-PMACEKPBSA-N	407.514	5.131	30	20	HKED	
Cc1ccc2snc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1	497442799	MPVOLQFURBOOQB-GFCCVEGCSA-N	411.458	5.497	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H](C)CC	498035160	CWCRUTVBEDYNPX-KKSFZXQISA-N	404.938	5.300	30	20	HKED	
CCCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C1CC1	498292524	XPCTVGMUNBGEMV-UHFFFAOYSA-N	418.472	5.013	30	20	HKED	
Cc1cc(Br)cc(Cl)c1NC(=O)CSCc1ccc(C#N)cc1	501235591	OIPUCBZNVDZXNI-UHFFFAOYSA-N	409.736	5.155	30	20	HKED	
Cc1cc(N[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nn1CCC#N	504388417	PWTSXUSGPKOCCV-QGZVFWFLSA-N	418.932	5.330	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCSCc2ccccn2)cc1	505674186	CBUDNXZESSPGNA-UHFFFAOYSA-N	419.506	5.016	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1	505828188	UJOOCFCJIBQNEJ-OAQYLSRUSA-N	410.945	5.067	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccc(CC#N)cc1	509694198	AWDPAXXDXCURBR-UHFFFAOYSA-N	416.481	5.050	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1Cl	510022617	FKZHYMHCPYYQNH-QFIPXVFZSA-N	401.897	5.586	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)s1	510675681	RWVMMOHRXHWBJB-GOSISDBHSA-N	408.502	5.007	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	511372870	UIZDQUKETPWLHE-VQIMIIECSA-N	404.963	5.267	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Nc4ccccc4)c3)cc2)nc1	511477400	RRCJBPKUSOIUGM-UHFFFAOYSA-N	406.445	5.741	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511564466	GBEUMQICDANOFX-HNNXBMFYSA-N	420.859	5.932	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C#N)ccc1Cl	511893583	OEMMUBHOUOJIPY-UHFFFAOYSA-N	409.820	5.489	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)Nc1sc(-c2ccccc2)cc1C#N	515689332	ASWKQVGLMDLXAI-UHFFFAOYSA-N	405.504	5.493	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[nH]c2c1C(=O)CCC2	516005924	YKXZPGLYWQHTAT-UHFFFAOYSA-N	419.868	5.412	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	517338703	NZOJTCRPOGFLOD-UHFFFAOYSA-N	408.404	5.668	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3SCCC#N)c12	517438244	UDOZOEXJZPCGLF-UHFFFAOYSA-N	414.490	5.456	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C	517578727	MAXUZUMRWFVOJP-GOSISDBHSA-N	421.566	5.586	30	20	HKED	
C=CCN(C(=O)CCCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	518173915	SMLRWQMGWQQIEX-UHFFFAOYSA-N	407.495	5.260	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](CN2CCCCCC2)C1	519450326	AHXDEXORAGDYDR-UXHICEINSA-N	414.619	5.058	30	20	HKED	
COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3S[C@H](C)CC#N)o2)cc1	519515784	WNEDOCAMZMWZRF-MRXNPFEDSA-N	421.522	5.316	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)c1ccccc1	521257107	CQZFFUKQZAKTJP-HXUWFJFHSA-N	417.512	6.651	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1	522478392	NAJFEKONIRITPJ-UHFFFAOYSA-N	423.472	5.141	30	20	HKED	
COc1ccc(-c2nnc(S[C@@H](C#N)C3CCCCC3)n2Cc2ccco2)cc1	524534915	JUMVJNNCXGUAQG-FQEVSTJZSA-N	408.527	5.160	30	20	HKED	
Cc1ccc(-n2c(SCc3nnc(-c4cccc(C#N)c4)o3)nc3ccccc32)cc1	525622830	HTKKJMZDXUKIRA-UHFFFAOYSA-N	423.501	5.548	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C3)cs1	537871766	OQZARCIYUCSZDD-SFHVURJKSA-N	422.579	5.293	30	20	HKED	
CCC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C(F)(F)F)c1	540363473	XQQJJPXPWIANTI-SFHVURJKSA-N	400.404	5.258	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCO[C@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	541148709	BEFSXYNUUUIIMC-WDNCENIBSA-N	411.505	5.116	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc(-c2cccc(C#N)c2)cc1	542945587	SUAAITYDIMJVMJ-INIZCTEOSA-N	421.447	5.116	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1ccccc1Oc1ccccc1C#N	544069020	KVNJZGHALANGSV-UHFFFAOYSA-N	400.482	5.613	30	20	HKED	
N#Cc1cc(Br)ccc1CN[C@@H](CC(F)(F)F)c1ccc(F)cc1	558093385	LPTYSUHBDKGAGZ-INIZCTEOSA-N	401.201	5.243	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1	558760335	YUVQMXRVTAKNSR-YCRPNKLZSA-N	417.937	5.837	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc3nc(O)oc23)cc1Cl	559271479	BYQIBUPLUMLZAB-KRWDZBQOSA-N	403.825	5.095	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1c(F)cccc1F	561135792	GCABVOBDZDOSBU-UONOGXRCSA-N	406.523	5.792	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CCn3c(C4CC4)nc4ccccc43)cc2)ccn1	575171274	MGVYUDFTDPJOKU-UHFFFAOYSA-N	423.476	5.001	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	575772729	HZFRNWUYWAOIRN-ZJDLJICXSA-N	423.582	5.554	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	576131438	PKGLTMMMWNVHSD-WOJBJXKFSA-N	405.464	5.191	30	20	HKED	
O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)Nc1cc(F)c(OC(F)F)cc1F	580944940	PCQGDJNPORNZHP-NSHDSACASA-N	424.316	5.109	30	20	HKED	
COCC[C@](C)(C#N)NC(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	584863225	JQPCEZPBEWLZQK-HXUWFJFHSA-N	423.365	5.334	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cs1	589831214	YCLPQANYWAWEQI-AWEZNQCLSA-N	409.923	5.872	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603828952	GIHGFKYTJDXSMM-OAHLLOKOSA-N	406.873	5.624	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)CC1	609207794	KUCHPGSBCSEKEJ-UHFFFAOYSA-N	408.260	5.692	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc2ccccc2c1	609388184	RPAJCHRXDFIXBD-KRWDZBQOSA-N	406.576	6.106	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cs2)c1	609415124	YSOBVYMCEQCZEQ-NRFANRHFSA-N	403.551	5.340	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(N3CCCC3)nc2)c1	609729883	VNZGXSQGRDGWRJ-UHFFFAOYSA-N	418.884	5.251	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1C(F)(F)F	610240110	XXRDRTIOJBWBPI-MEDUHNTESA-N	416.321	5.089	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2cccs2)cc1	612056529	QFROPBKFJXTCPM-HXOBKFHXSA-N	424.591	5.342	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(F)(F)F)c1	616064825	HJUFBJQOSVECFZ-UHFFFAOYSA-N	418.868	5.240	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(Cl)cc1	644490504	DTQKSCLOAOGZME-UHFFFAOYSA-N	416.909	5.045	30	20	HKED	
Cc1nc2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)ccc2n1Cc1ccsc1	682670396	RVHXCWGJAOKUFX-HXUWFJFHSA-N	422.513	5.493	30	20	HKED	
CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1cccnc1	725855124	UIVKHVMGRXWBOJ-UHFFFAOYSA-N	424.327	5.352	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)c2csc(-c3ccc(O)cc3)n2)cc1	726645376	HRYXIWVYQBEXAT-UHFFFAOYSA-N	412.470	5.411	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)cc1OC	728498851	LSFLCIXMTGORDA-ZOXUKVPXSA-N	405.416	5.035	30	20	HKED	
CC(C)CCN(CCC#N)Cn1nc(SCc2ccc(F)cc2)sc1=S	728901737	VEELRKJKHQTZEH-UHFFFAOYSA-N	410.609	5.325	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc2c(c1)CC(C)(C)O2	729140647	LGTKBWXKGFCRQI-UHFFFAOYSA-N	415.518	5.029	30	20	HKED	
C#CCOc1cccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1	730977940	QDVYOCFYCVBAHJ-UHFFFAOYSA-N	424.909	5.227	30	20	HKED	
CCCCCCC[C@H](C)CNC(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1	732449044	HZVORZMQAVSNLK-NZQKXSOJSA-N	407.643	5.196	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1	733033166	JJELKWXNXKNJNN-HSZRJFAPSA-N	403.432	5.129	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C)c2c(Cl)cccc2Cl)c1	733806876	OYAUVSGDGROJEX-HOCLYGCPSA-N	420.340	5.277	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(SC(F)F)cc1	734980940	NAAGHWANZKOSEN-TWGQIWQCSA-N	418.446	5.929	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(Oc3ccc(C)cn3)cc2)cc1	743476819	MEGJGCBEBUJBJS-HXUWFJFHSA-N	414.509	5.238	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(F)cc1F	745723682	FEODPKJJCADALR-UHFFFAOYSA-N	411.452	5.688	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H]2c2cc(C)on2)c1=S	747455877	SYRGTLBRMVOOQX-SFHVURJKSA-N	415.950	5.012	30	20	HKED	
COC(=O)Nc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1F	748536963	GOFKWLQDQMFEDG-UHFFFAOYSA-N	421.453	5.279	30	20	HKED	
N#C[C@@H]1C(CN2CCCCC[C@H]2/C=C\c2ccccc2)=CC(=O)n2c1nc1ccccc12	753859910	BBSVITVNDCWHAE-FJXFTSETSA-N	422.532	5.182	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccn2)ccc1Cl	755134537	ITDCLULZGPDGAE-UHFFFAOYSA-N	412.880	5.151	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)OC(=O)CCCCOc3cccc(C#N)c3)o2)cc1C	758943128	AVPIYQFHSNUUNM-GOSISDBHSA-N	419.481	5.079	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccncn1	760333951	MUXNDHZOTNJHMQ-QRWLVFNGSA-N	414.317	5.493	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(C2CC2)no1	761489385	VSZYSQMDPQSKGB-GFCCVEGCSA-N	409.829	5.182	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764751755	FJVPDNYDVJAZEH-SECBINFHSA-N	410.326	5.129	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(CCC)[C@H]2CCc3ccccc32)c1=S	764948497	WTXBQOFOQLLJRQ-NRFANRHFSA-N	405.571	5.019	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](COc1ccccc1F)c1ccccc1	775182203	YECGBWPNVQTQFY-OAQYLSRUSA-N	410.876	5.291	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1O	776012023	WGSFIHQBVBKRHF-GOSISDBHSA-N	410.477	5.077	30	20	HKED	
Cc1nn2c(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c(C)nc2s1	779596502	WWBNXNJDMFVJIY-UHFFFAOYSA-N	423.929	5.124	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1	780156612	FWVYYIWQFAPZHH-KOSHJBKYSA-N	400.478	5.299	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)c2c1	780306425	XLSOOGDRHYAREK-JOCHJYFZSA-N	405.457	5.171	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780606603	WAKUZVHJDWOMAQ-OAHLLOKOSA-N	410.474	5.277	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCC(=O)c3ccccc3)n2)cc1	783355496	MWYRADBEKXJDDB-HXUWFJFHSA-N	402.519	5.738	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1=COCCC1	783558117	WKXKDUNNFHGTQX-GFCCVEGCSA-N	421.259	5.138	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21	786310424	USIULSQTMYBTHP-YYWHXJBOSA-N	404.510	5.050	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cnn(C(C)C)c2C)cs1	787186101	FKJSTVWUDBZWKA-DHZHZOJOSA-N	408.527	5.118	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC(C4CCCCC4)CC3)ccc21	787481518	CAJLTUHZRGCFAP-UHFFFAOYSA-N	422.573	5.094	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1	789455415	KWEBJIBGEXEKNW-HNNXBMFYSA-N	420.365	5.008	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C[C@H]1C2(Cl)Cl	791204717	FOONQNZAUKIFSE-UYAOXDASSA-N	417.361	5.365	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1cnc2ccccc2n1	792109012	NHQZWJLCHHTQLF-MZNJEOGPSA-N	413.477	5.479	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1cnc2ccccc2n1	792113376	GKOWYIQOISPOMI-NRFANRHFSA-N	405.457	5.136	30	20	HKED	
C[C@H](NC(=S)NCCCCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	794988042	BODIAXDEKIMORI-HNNXBMFYSA-N	405.489	5.483	30	20	HKED	
Cc1ccc(-c2csc(CON=Cc3cccc(OCc4ccncc4)c3)n2)cc1	795208174	YPRZOIFJQYWEJK-UHFFFAOYSA-N	415.518	5.643	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)c1	795656553	LRBRMSGSLPDXOV-UHFFFAOYSA-N	420.444	5.174	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc2ccc(Br)cc12)c1ccc2ccccc2n1	796630842	XGHZMDKRPBWULM-QGZVFWFLSA-N	421.319	5.631	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1C	796806168	UHZWPLBDZYZIKQ-HOCLYGCPSA-N	415.415	5.284	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1	799715084	LKCNUKDBCNGKKS-SEYXRHQNSA-N	415.905	6.199	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1	799942873	PLCPIYLRTSRUBC-OAHLLOKOSA-N	411.859	5.128	30	20	HKED	
CCCCCCC[C@H](C)CNC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1	806499735	SUFAKOAQVVZQPI-AZUAARDMSA-N	420.598	5.197	30	20	HKED	
C=CCC[C@H](NC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)c1ccc(C(F)(F)F)cc1	809733115	WLFJIXMLQNIOOV-UFYCRDLUSA-N	417.427	5.133	30	20	HKED	
C=C(C)COc1cc(CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)ccc1OC	813782773	GKKBINUFIIMYSQ-FTJBHMTQSA-N	403.522	5.215	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](c1ccccc1)c1ncc[nH]1	814577810	SKYUFOBXGOZPMT-RPWUZVMVSA-N	421.504	5.318	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	814633993	QNFHPCUPALSEHM-FQEVSTJZSA-N	408.502	5.590	30	20	HKED	
COc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1CN1CCCCC1	815636451	VNUIVBKGPYHVOA-OFVILXPXSA-N	405.586	5.767	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccc(Br)s1	819839318	HNTCEHWUKNLXCO-HJWRWDBZSA-N	400.297	5.381	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2cccc(Br)c2)cc1	915085413	LOAFXDYVLAWHMC-QFIPXVFZSA-N	419.322	5.676	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)C(=O)Nc1ccccc1	916900576	RIUCHGHWWVZTBD-FQEVSTJZSA-N	410.901	5.114	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12	916916436	SRONKFWYDPHICK-IBGZPJMESA-N	408.910	5.074	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2	917784012	SFTQPJYPLIOTBU-UHFFFAOYSA-N	404.495	5.095	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1	919773275	AFHVXGWCDICDPX-XZOQPEGZSA-N	415.468	5.517	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1	920322903	CLCSJBURWOPWTN-HXUWFJFHSA-N	404.535	5.853	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	921131568	LJVFECITNFOESH-NHYWBVRUSA-N	406.404	5.509	30	20	HKED	
Cc1sc(NC(=O)COc2ccc(C3SCCCS3)cc2)c(C#N)c1C	921234355	YODVMVWUWUQHLQ-UHFFFAOYSA-N	404.582	5.123	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1	1832610003	REAJQXUIPJSXHC-AVRDEDQJSA-N	416.993	5.094	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(CC)cc2)cc1	22731034	QNLHPWRITASDGC-UHFFFAOYSA-O	409.600	5.520	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc1OC	26259952	JFXBQGNUPPGWLK-UHFFFAOYSA-N	424.884	5.140	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	31776763	QUGAHYDZDALAHF-UHFFFAOYSA-N	404.441	5.072	30	20	HKED	
CCN(CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1	60477552	KZIJANHBQPQOOH-HUUCEWRRSA-N	404.341	5.125	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1OC	72023480	IGJDKKSHOYLEDL-UHFFFAOYSA-N	402.878	5.049	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1	108593561	YSRIAZNQRRENSM-UHFFFAOYSA-N	403.463	5.491	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(F)cc1Cl	109225136	ADSKBNKHXPZUOY-CQSZACIVSA-N	409.848	5.582	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccco1	195632999	BRHRCZIEHLJBDP-UHFFFAOYSA-N	412.411	5.062	30	20	HKED	
N#CCc1ccc(NCc2cc(Br)ccc2OCc2ccccn2)cc1	236734452	LPOVQMXHMROWDH-UHFFFAOYSA-N	408.299	5.101	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2c(C)cccc2C)c1	301580072	JEQXGXZKGOBRJR-UHFFFAOYSA-O	409.962	5.604	30	20	HKED	
C[C@H](Nc1nc(N[C@H](C)c2ccc(C#N)cc2)ncc1Cl)c1ccc(C#N)cc1	301693059	LIZOLVNKKGNFMG-LSDHHAIUSA-N	402.889	5.220	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)cc1Cl	303332257	WUSYYGJIUCKNJO-LLVKDONJSA-N	409.736	5.607	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1nc(C)cs1	430518994	HWXKOHJHEZWMLT-NSHDSACASA-N	420.321	5.856	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)s1	431920720	FSUGCEGNCDMLIM-DZGCQCFKSA-N	406.349	5.306	30	20	HKED	
COC(=O)c1ccc(-c2nc(CN[C@@H](CCCC#N)c3ccccc3)cs2)cc1	433028565	ZYDUBNRSKUSMFA-NRFANRHFSA-N	405.523	5.121	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3ccc(F)cc3C#N)oc3ccccc23)s1	433982861	HECAOPRKAUYJBU-UHFFFAOYSA-N	424.482	5.148	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1	436148206	OQJZYIMSKCOELL-UHFFFAOYSA-N	415.880	5.134	30	20	HKED	
CCCc1c(NC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cnn1-c1cccc(C#N)c1	439684044	VWWWKTMOMBCPFC-GHTZIAJQSA-N	413.525	5.106	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1	442061201	KYNRSQNBZBHEKP-GFCCVEGCSA-N	406.255	5.004	30	20	HKED	
N#Cc1ccc(CNc2cccc(C[S@](=O)c3ccccc3)c2)c(OC(F)F)c1	442122212	FGQZLXCLFBNIJF-LJAQVGFWSA-N	412.461	5.080	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccccc1Cl	442712635	JLEQGTOEGQMTGR-INIZCTEOSA-N	404.684	5.637	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c2ccccc21	444248121	OHEFALNGYPWLLX-UHFFFAOYSA-N	403.913	5.528	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	446268298	ZJJZQRXIKKJTAK-UHFFFAOYSA-N	422.960	5.418	30	20	HKED	
CCO[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1	446490832	QNEOWJBWUIZBCX-QHCPKHFHSA-N	416.546	5.358	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1Cl	463374971	KQPGGXFBQDPHEQ-GGAORHGYSA-N	418.949	5.965	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CCCC[C@H]1C(F)(F)F	463434911	GUCDBMPEPREULN-UXLLHSPISA-N	413.509	5.072	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CC=C(c4ccc(F)cc4)CC3)ccc21	469063023	RJEZZSMNEDIOQJ-JOCHJYFZSA-N	403.501	5.457	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(c3ccncc3)CC2)c1	469974728	TWRNHEYFXLCNRI-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
Cc1nc2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)ccc2n1Cc1ccsc1	472712799	IFXNQBIBGHVZQN-KRWDZBQOSA-N	420.563	5.525	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@H]1c1ccccc1	472752979	PBPSVLIBXKRZPT-QKNQBKEWSA-N	407.583	5.986	30	20	HKED	
CCOc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)ccc1OCc1cccnc1	474439385	MDPVAHXCZVFBBT-GOSISDBHSA-N	421.522	5.129	30	20	HKED	
CC(C)c1c(NC(=O)C[C@@H](CC#N)c2ccccc2)cnn1-c1ccccc1Cl	477019696	NGQVLTLFTFOOSN-GOSISDBHSA-N	406.917	5.675	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ncoc3-c3ccccc3)cc2)cc1	478587539	DXOPIXCMAVYAEU-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
Cc1ccc2c(N3CCC(OC4CCCC4)CC3)c(C#N)cnc2c1Br	479944101	ATRUJVYLSASJHK-UHFFFAOYSA-N	414.347	5.105	30	20	HKED	
C=C(C)Cn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1ccncc1	481333957	CGFNBLDHMDXEFD-UHFFFAOYSA-N	423.542	5.471	30	20	HKED	
Cc1ccc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)c(C)n1	482213618	OWPPYNJZYIPBSX-UHFFFAOYSA-N	420.538	5.289	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482392856	DRODMKFFBLSMKG-JDNHERCYSA-N	408.317	5.249	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1cccc(Cl)c1	483190985	DMWKLTLPMQGGHU-LJQANCHMSA-N	400.869	5.126	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)cc2F)c2ccc(C(F)(F)F)cc2)cc1	486171148	MUTVKBGNYRKIJM-JOCHJYFZSA-N	414.402	5.604	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccccc1	487738533	HDHMJCQMZUGTNX-UHFFFAOYSA-N	411.534	5.423	30	20	HKED	
Cc1nnc(SCc2cc(C#N)ccc2Br)n1[C@H]1CCC[C@@H](C)C1	491580767	FLIVRKIUGDRUCG-WBMJQRKESA-N	405.365	5.264	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1C	495634487	FPADYLPFGMIGMA-UHFFFAOYSA-N	412.415	5.352	30	20	HKED	
Cn1ccnc1COc1ccc(CSc2ccc(C#N)c(C(F)(F)F)c2)cc1	499511079	QRWINMASGGLMIE-UHFFFAOYSA-N	403.429	5.182	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2Cl)cc1	506263359	JOLQVONAJZJGTK-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2cccc(C)c2)C1	508875663	VGYRGLUFCXBPOP-SGNDLWITSA-N	414.553	5.012	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)cc1	510183915	GYEVMUZEOBCXLS-HNNXBMFYSA-N	405.548	5.461	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(C4CCCCC4)c3C)n2)cc1	512721496	VDMGLDHQPMLACI-LJQANCHMSA-N	420.538	5.319	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc(OC)c1C(C)C	512730188	MHEHCRVIVVNDRK-CQSZACIVSA-N	413.424	5.062	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	513170380	KHIZBWJSXHALMR-AWEZNQCLSA-N	421.831	5.676	30	20	HKED	
CC(C)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	513988036	SUMLPCIBYUATGR-UHFFFAOYSA-N	413.521	5.774	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	516189384	LQYFAFVOUWMNFE-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)Cc3ccccc3-4)n2)cc1	516269900	CMZNDQQBKWYSQR-QHCPKHFHSA-N	417.493	5.743	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1OC(F)F	517510945	BGJZVEOJSGTEJL-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(F)ccc4s3)n2)cc1	517800799	JPCOBNYCMWRTEA-INIZCTEOSA-N	403.463	5.526	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1	518740066	GBQZNTRCIQXZIG-SFHVURJKSA-N	418.518	5.891	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(N(C)C(C)C)c2)cc1C	521018229	VEXOXWVBHIWELG-UHFFFAOYSA-N	415.541	5.178	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccccc3)cs2)c1	521263948	PDRUHUKJDZFKFZ-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
C=CC[C@@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	522643272	NUNPMWZHPVLKFQ-WIZMWCRPSA-N	407.495	5.216	30	20	HKED	
CS[C@H]1CCC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1	522704598	IGMWOHLKPREILP-VXKWHMMOSA-N	411.546	5.083	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)nn1	522874933	NMXXRKKNSKFCJF-UHFFFAOYSA-N	421.460	5.445	30	20	HKED	
N#Cc1ccc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c(F)c1	523582889	KWJDCKBCGYQNIT-UHFFFAOYSA-N	418.447	5.039	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1	525248965	KMMYRDLPMFFDHR-MSOLQXFVSA-N	401.485	5.290	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	533299861	NRHUGWHLEXSLKB-XUVXKRRUSA-N	407.583	5.206	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1C1CC1	534982069	VBYRMFIIEWWYFF-KRWDZBQOSA-N	414.509	5.434	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@H](CCC#N)c2ccccc2)CCC3)cc1	537946294	YETXIAPPGBOHTI-NHCUHLMSSA-N	403.551	5.831	30	20	HKED	
C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(C#N)cc1	538395792	FYCIYPVGSOWJTC-FYSMJZIKSA-N	404.897	5.423	30	20	HKED	
COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)ccc1OCc1ccncc1	539608636	VZNQFGARHUBOAA-SJORKVTESA-N	405.473	5.092	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C	540684603	VJVGNWLDPBSPQQ-SFHVURJKSA-N	403.511	5.038	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2cccc(Cl)c2)o1	541076198	VSKXRZUBSLQFLJ-JTQLQIEISA-N	409.820	6.134	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2o1	542950993	SNNSBODBENRZIT-CQSZACIVSA-N	411.339	5.300	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1ccccc1SCc1cccs1	544152885	PLWVNIRXZIIXKV-UHFFFAOYSA-N	424.547	5.190	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1	544278044	QLJSZCGYCNNEPI-RRPNLBNLSA-N	423.560	5.231	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)ccc2c1	546730881	QTCHHSBQRVSUCD-KRWDZBQOSA-N	424.504	5.265	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	553404155	QFGJNWKJCGTVDL-IIBYNOLFSA-N	409.555	5.488	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](CCC)c1ccccn1	555550393	QSKWPKOUEFFUQE-QGZVFWFLSA-N	405.311	5.082	30	20	HKED	
C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc2ccccc2c1	560765446	SYMKTRKTHBMDLJ-QGZVFWFLSA-N	402.469	5.024	30	20	HKED	
CCCc1nc(C)c(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)o1	561793103	MERFWJUJIIKQIO-UHFFFAOYSA-N	409.873	5.183	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccccc1	571955665	DMIZRBOCPBJLQG-OAQYLSRUSA-N	407.905	5.141	30	20	HKED	
CC(C)c1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C(C)C)c1	603656199	ZCCKWZUNYYTBSB-UHFFFAOYSA-N	421.545	5.025	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	604243034	BABVFDIUIQMZBU-NRFANRHFSA-N	405.501	5.726	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	604275987	DLVOQZBDZALRSZ-ROUUACIJSA-N	412.377	5.788	30	20	HKED	
CC(C)(C)c1ccc([C@@H](NCCC(=O)Nc2sccc2C#N)C(F)(F)F)cc1	604483992	DJLRXSPBNCNSMI-QGZVFWFLSA-N	409.477	5.139	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)s3)[nH]c12	605363051	FGDKINKNTKUARI-CYBMUJFWSA-N	414.515	5.700	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccccc4)nc3)o2)cc1	609058424	RIBDWWQUNMGMRT-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	609384998	CPCRFTAIEFJYGK-ZHRRBRCNSA-N	415.990	5.517	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1	609385146	UFCSFBDELGTQMO-OXJNMPFZSA-N	413.974	5.510	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)Cc1ccccc1Cl	609398742	MZMIDYGIUURTJK-OAHLLOKOSA-N	401.963	5.735	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1	609436252	JQIWIFDAOPVRTI-XLIONFOSSA-N	423.582	5.313	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)cc2)nc1	609502996	UWDDDWFHEAKUNK-UHFFFAOYSA-N	413.452	5.357	30	20	HKED	
Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	609600927	DGYQGTUPYJDLJC-JOCHJYFZSA-N	412.493	5.293	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CCCC2)n1	609845126	WSPQCOYMKCIVIU-UHFFFAOYSA-N	418.522	5.707	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(-c4ccncc4)cc3)c2)cc1	610052664	NFOVRCJQABEIRX-UHFFFAOYSA-N	405.457	5.343	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)c1cccc(C#N)c1	610406754	KSSXRONDBAKRKP-MRXNPFEDSA-N	415.459	5.792	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1	610863409	QQMOTHNRGVDRMK-FQEVSTJZSA-N	417.925	5.210	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)C1	612306298	ZEDJGTMPHVWMFZ-HSZRJFAPSA-N	404.445	5.324	30	20	HKED	
Fc1cc(Br)ccc1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618450005	KFIYQRWKDJLOED-AOOOYVTPSA-N	408.155	5.151	30	20	HKED	
CC(C)(C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674465032	DJEOSCINRLGATN-RYUDHWBXSA-N	421.303	5.182	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(Cc2cccc(F)c2)CCC1	681270971	FSOOYJPMVNVVKT-KBPBESRZSA-N	411.361	5.128	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	726754559	MUAZMCRJFWAOIO-IBGZPJMESA-N	401.510	5.021	30	20	HKED	
Cc1ccc(N(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)Cc2cccs2)cc1	727148671	QRYGDTOVSSDSAL-NRFANRHFSA-N	424.529	5.300	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1Cl	727631693	HRMRNVARCCFKFZ-RXEWJAMOSA-N	403.894	5.615	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ncc(-c4ccc(F)cc4)o3)cc2F)c1	728201895	PIJHEWHSYAFLHF-UHFFFAOYSA-N	417.415	5.683	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c12	729069398	JRSNXFKQMZYLFH-FQEVSTJZSA-N	423.472	5.159	30	20	HKED	
CC[C@@H](/N=C\c1cc(Br)cc(Br)c1O)c1nc(C)cs1	729641088	BNQIKMZYMJMSAB-XVRVVCMKSA-N	418.154	5.252	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1)c1nc2ccccc2o1	730071885	UDMAFVNSBNPIBA-AOMKIAJQSA-N	418.905	6.191	30	20	HKED	
Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1ccc(-c2ccccc2F)o1	730567339	VZJULTWPKLFEDH-UHFFFAOYSA-N	422.485	5.044	30	20	HKED	
N#Cc1cccc(COc2ccc(N[C@@H]3CCN(c4ccccc4Cl)C3=O)cc2)c1	732229085	VGEHANPMFRDIIV-JOCHJYFZSA-N	417.896	5.008	30	20	HKED	
FC(F)Oc1cccc(Cl)c1C=Nn1c(S)nnc1-c1cccc(Cl)c1	732923908	MBFSVEFBIMKCDX-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
C#CCN(C(=O)Nc1ccc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21	733615809	YAEXZSFHTSOZTP-LJQANCHMSA-N	413.315	5.057	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	735592700	CTZDBXJWIVWBPW-MAUKXSAKSA-N	408.910	5.596	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1	739142157	HAAJUMJVGBFSFV-SCLBCKFNSA-N	412.411	5.581	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2cccc(OCCC(=O)O)c2)cc1	741469186	KDPXJWBFJCYJEN-NTEUORMPSA-N	402.446	5.112	30	20	HKED	
N#Cc1ccc(F)c(CNCc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1	742381895	QSFOFZILOYDTIS-UHFFFAOYSA-N	416.887	5.493	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	742985511	WLIGQFPYGJICJH-UHFFFAOYSA-N	423.925	5.608	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)ccc1SC(F)F	743057513	TULLOJPLHDDFSG-YWEYNIOJSA-N	414.433	5.488	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(Cc2ccccc2)CC(F)F)c1=S	743397649	QNUGQLADXIDCDX-UHFFFAOYSA-N	418.488	5.131	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	743626297	UPIINDSEQSFYLA-QGZVFWFLSA-N	419.550	5.068	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(C(F)(F)F)c1	747205099	PLKKJSKZGSWTKP-OAHLLOKOSA-N	422.834	5.445	30	20	HKED	
Cc1sc2nc(/C(Cl)=C/c3cc(C#N)cs3)nc(O)c2c1-c1ccccc1	748439478	UWXSLJWLFZKVIQ-NVNXTCNLSA-N	409.923	6.042	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1	749141691	IJNLJTBDCPDOED-OAHLLOKOSA-N	416.568	5.110	30	20	HKED	
Cc1cc(F)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1[N+](=O)[O-]	753350594	YCWXCVVQDCKAFA-UHFFFAOYSA-N	410.245	5.332	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc3ccc(C)cc3o2)cs1	754829254	IYPXVKGAFWNZJQ-DHZHZOJOSA-N	416.502	6.087	30	20	HKED	
CCCCCCCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F	754850513	PKPLUJQNSFQGST-UHFFFAOYSA-N	402.848	5.030	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1F	756969996	QQOZXLJYBPRXBK-UHFFFAOYSA-N	416.452	5.430	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1ccnc(Cl)c1	757935450	ABBAEAQGPKDUKC-VMPITWQZSA-N	403.869	5.146	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1	758597677	MULYSYAFHRAUJP-JOCHJYFZSA-N	423.513	5.091	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(SC)c(Cl)cc2Cl)c1	760537555	JAIPWUTWRONXDN-ZDUSSCGKSA-N	409.338	5.326	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc(Br)ccc2F)ccc1OC(F)F	763123258	ZNJUPNUQSQSELR-QHHAFSJGSA-N	401.178	5.094	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccnn2Cc2cccc(Cl)c2Cl)cc1	763418510	LTUVDMPVPCUGJH-CQSZACIVSA-N	401.297	5.141	30	20	HKED	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	764056850	XLPFAEQDNUAKLZ-QHCPKHFHSA-N	421.504	5.396	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	777291271	NMXYRWPFUOWBMX-LJQANCHMSA-N	401.466	5.001	30	20	HKED	
Cn1cc(CNc2cccc(CC[C@@H](O)c3ccccc3)c2)c(-c2ccc(C#N)cc2)n1	778102257	BYFBNSOOCFAVIJ-AREMUKBSSA-N	422.532	5.237	30	20	HKED	
COC1CCN(c2ccc(N[C@@H](C)c3ccc(C#N)cc3F)cc2C(F)(F)F)CC1	781421331	IULOZJZFGBOJOJ-AWEZNQCLSA-N	421.438	5.504	30	20	HKED	
CC(C)(C)CC(=O)N1CCC(Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1	781528743	CULGVBGGEONVEG-UHFFFAOYSA-N	423.532	5.115	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	789458029	XKQHXVIOIKHKTF-GOSISDBHSA-N	415.578	5.307	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)s1	797571629	TUKQHZLFVSAMHS-BFHYXJOUSA-N	408.445	5.319	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)OCC(C)(C)CCC#N)c2cnn(C(C)C)c2n1	798876093	NXXDLDGYKWEANR-UHFFFAOYSA-N	404.514	5.474	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3csc(C)n3)cc2)cc1	799602176	JQQZPTPAGRBDIN-OAQYLSRUSA-N	417.534	5.422	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1COC(=O)NC(C)C	806452283	VBQRSKPVBZUALY-IBGZPJMESA-N	401.551	5.060	30	20	HKED	
N#C[C@H](C(=O)CSc1cccc2cccc(Cl)c12)c1cc(C(F)(F)F)ccn1	813212929	GKTFLLTXKXWMFE-AWEZNQCLSA-N	420.843	5.876	30	20	HKED	
Cc1c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cccc1-c1ncco1	814576799	HDDSETRKXVFEFT-QFIPXVFZSA-N	408.461	5.950	30	20	HKED	
Cc1ccc(CNc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1[N+](=O)[O-]	864040087	PLOUSRJXEPZCNW-UHFFFAOYSA-N	410.289	5.805	30	20	HKED	
N#Cc1c[nH]c2cc(-c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)ccc12	904478620	XZLFANAOJHQCJZ-UHFFFAOYSA-N	416.444	5.155	30	20	HKED	
C[C@H](CC#N)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	904669973	GPMLRDKMNOPCIV-SNVBAGLBSA-N	408.767	5.613	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1	916846422	UXPKIUPDRWORBX-HXUWFJFHSA-N	410.498	5.803	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)Nc1ccccc1	916899834	GMTCMTZQLUMSRJ-SIKDUDHDSA-N	406.894	5.429	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(C2SCCCS2)cc1	916909184	KRIRAIWBUBRPKJ-OAHLLOKOSA-N	416.955	5.170	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	916922586	HDTBOVBUACNCFB-IAGOWNOFSA-N	424.566	5.259	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2ccc(F)cc2s1	916927794	OALYEBDBXUVBEE-GFCCVEGCSA-N	407.253	5.308	30	20	HKED	
FC(F)Oc1ccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	918721166	FDNRGSQCFGMCBB-DTORHVGOSA-N	422.341	5.048	30	20	HKED	
CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1	1786257359	LUINFXJNYMMZPE-FLVLSHQESA-N	424.566	5.057	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]2C)CC1	1828478460	IPYKCTXSAKFRSX-FCEUIQTBSA-N	402.623	5.035	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccccc2CC)cc1	10173467	RZXBNXAWNOPZMJ-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
C=CCN(C(=O)c1ccc(C)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	23464194	XGWQDHOUUZWGJV-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
CC(C)c1ccc(-c2noc(CNc3ccccc3Oc3ncccc3C#N)n2)cc1	55844438	DWIWOGWUKTXCSS-UHFFFAOYSA-N	411.465	5.531	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1	62399545	TXZUROBIMDFBAX-UHFFFAOYSA-N	402.542	5.317	30	20	HKED	
Cc1sc(NC(=O)C2(C#N)CCCCC2)nc1-c1ccc(Br)cc1	72029915	XCCPLKTYBLYRBZ-UHFFFAOYSA-N	404.333	5.294	30	20	HKED	
COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(OCCCC#N)c2)cc1	72085556	LPWANIRWQCHBFS-XMMPIXPASA-N	413.477	5.149	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	107648723	VXQFLFMUTAYEEZ-KSFYIVLOSA-N	415.880	5.273	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccccc2)cc1	113144686	CBZJIAAHKAQWFP-SFHVURJKSA-N	409.272	5.622	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)c1	409839129	YVFZZUXRSQNACF-QHCPKHFHSA-N	422.431	5.406	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1	432257929	LRRRVKGBHPOFDH-GOSISDBHSA-N	402.267	5.137	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	433594411	DBSYSXVSZBYPHN-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
C/C(=C/c1ccc(-c2cccc(Br)c2)s1)c1nc(=O)c(C#N)c(C)[nH]1	435336948	RZEQFZXBYCMDEG-FLIBITNWSA-N	412.312	5.002	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	437478723	YZMQVUFUVFOTGQ-UHFFFAOYSA-N	417.465	5.233	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cc1	437599562	IBYALMVNEXVAAP-UHFFFAOYSA-N	418.324	5.382	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1SCC(F)F	438323039	PCFQVQYPFULSRD-SJLPKXTDSA-N	419.472	5.487	30	20	HKED	
N#CCC[C@@H](NC(=O)NCc1ccccc1COCc1ccccc1)c1ccccc1	438845582	CCHPBWGTSGCPQI-RUZDIDTESA-N	413.521	5.248	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccco1	438888536	VLWHQXKUNYTZDY-OAHLLOKOSA-N	424.309	5.037	30	20	HKED	
N#Cc1ccccc1SCc1nc(O)c2c(-c3ccccc3Cl)csc2n1	439710285	QWJHYSBKMOQXHC-UHFFFAOYSA-N	409.923	5.881	30	20	HKED	
N#Cc1ccc(NC(=O)c2csc(Cc3ccccc3F)n2)cc1C(F)(F)F	443882586	JZZKVSRQYGUDHF-UHFFFAOYSA-N	405.376	5.016	30	20	HKED	
N#CCCn1cc(/C=C\c2nc([C@@H]3CSc4ccccc4O3)no2)c2ccccc21	446014613	YOACRUDEGSCIEH-PISNEZEASA-N	414.490	5.334	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)c1cccc(C#N)c1	463344078	HXLYXDZPFNRFOU-OAHLLOKOSA-N	403.869	5.206	30	20	HKED	
C=CCN(C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nc(-c2ccccc2)cs1	463638774	YXZKRQHVZIRDDA-UHFFFAOYSA-N	422.460	5.107	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)s2)cc1	463749329	VQADGQASZDVHDG-HNNXBMFYSA-N	418.305	5.120	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)cc1	464420025	XCUBIJGVXKJNBR-OAHLLOKOSA-N	417.412	5.113	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(-n2cccn2)c1	465218813	KPYDKMQWFRBOSV-GOSISDBHSA-N	424.529	5.386	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)n1	468761925	ALOBZZXKFVCMLG-UHFFFAOYSA-N	415.280	5.687	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)CCCCCc3cccs3)ccc21	469950469	MVWIVFXVDZFYHR-UHFFFAOYSA-N	409.555	5.073	30	20	HKED	
Cc1ccccc1-c1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n(C)n1	470187070	DRCGNWRAMHXIKG-UHFFFAOYSA-N	422.488	5.506	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	471204528	QOJVOHADJHIWGJ-QRWLVFNGSA-N	417.431	5.136	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)c(C)nc1OC	476158294	RLFNCOCJSJBABZ-UHFFFAOYSA-N	403.320	5.265	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N(C)c2ccccc2C#N)c2cnn(C(C)C)c2n1	479692523	NLAGGSLDOIDPFC-UHFFFAOYSA-N	409.493	5.136	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1	481280103	BTULHVFMUFWXSS-UHFFFAOYSA-N	407.857	5.195	30	20	HKED	
C=C(C)CN(C)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	481584863	LAEKPDZDKJPVKJ-UHFFFAOYSA-N	403.360	5.177	30	20	HKED	
CCC(CC)[C@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	482851624	YFQULIIQAKYOPU-FYYLOGMGSA-N	422.594	5.564	30	20	HKED	
C[C@H](NCc1ccc(C#N)c(F)c1)c1nc(-c2ccc(Br)cc2)cs1	483716116	YBVZGBKWGORAQB-LBPRGKRZSA-N	416.319	5.434	30	20	HKED	
CCc1c(C)sc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)c1C#N	484348107	GFKPFWMXHBSZMZ-CQSZACIVSA-N	405.523	5.287	30	20	HKED	
CC(C)c1c(NC(=O)N(C)Cc2cccc(C#N)c2)cnn1-c1ccccc1Cl	485159426	NOVHYXXIROCRIH-UHFFFAOYSA-N	407.905	5.185	30	20	HKED	
O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1cc(F)c(C(F)(F)F)cc1F	488836726	JJIVXEJBJNSDLJ-SANMLTNESA-N	402.306	5.451	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1csc(C2CCCC2)n1	489662849	UQFDTGLZEBSYOB-UHFFFAOYSA-N	412.584	5.450	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1	494494869	MAFMYZZXKXVYJB-OAHLLOKOSA-N	403.931	5.286	30	20	HKED	
C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(C(F)(F)F)cc1	494519168	MKNYSAYDTMZCLH-ZDUSSCGKSA-N	414.349	5.272	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCc4c3ccc(Cl)c4Cl)cc2)nc1	499340784	POMLZJUBDDYNJV-IBGZPJMESA-N	424.287	5.470	30	20	HKED	
Cc1cnn(Cc2ccccc2F)c1NC(=O)c1sc2ccc(C#N)cc2c1C	500539279	GNTNPXGVYKTRGU-UHFFFAOYSA-N	404.470	5.026	30	20	HKED	
COc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1	502499873	SFCYUTRGUVTQMZ-UHFFFAOYSA-N	417.465	5.107	30	20	HKED	
CC(C)c1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C(C)C)c1	502820004	QMJWFJKJYJKTQN-UHFFFAOYSA-N	406.913	5.656	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)N(CCC(F)(F)F)CC1CC1	505796616	QDBRRNSXHCCOMD-UHFFFAOYSA-N	416.337	5.353	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	507790426	XBHIEVJKGJMNCK-UHFFFAOYSA-N	416.525	5.547	30	20	HKED	
COC1(c2noc([C@@H](C)Oc3ccccc3C#N)n2)CCC(c2ccccc2)CC1	508639536	VZRUPJLTLOVYOE-GBURSHPISA-N	403.482	5.281	30	20	HKED	
C=CCn1c(SCc2csc(C(C)(C)C)n2)nnc1-c1ccc(OC)cc1	508853082	PUYIYZAGEBMSBK-UHFFFAOYSA-N	400.573	5.186	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCC#Cc2cccc(F)c2)cc1	512159499	RKHGUUMWAHYBGB-LJQANCHMSA-N	416.496	5.255	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nc2ccccc2s1	515157035	HMIUYYMXSSTBHU-UHFFFAOYSA-N	414.490	5.235	30	20	HKED	
CCSCc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	515449221	LTNISALWZYEOFT-UHFFFAOYSA-N	415.518	5.316	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1	516380962	READWFBNOVHZTA-OAHLLOKOSA-N	406.873	5.147	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	517345278	FUIJTUWEGAYQIA-RPWUZVMVSA-N	412.489	5.082	30	20	HKED	
CO[C@@](C)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	517345807	JHBIMARRJGSBGD-ZJSXRUAMSA-N	404.897	5.496	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CCC#N)Cc3ccco3)c3c(C)noc3n2)c(C)s1	519096547	MJIJTISBLSNNHL-UHFFFAOYSA-N	420.494	5.026	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC[C@H](c2cccs2)N2CCCC2)c1	521803531	AMAWUTMSDFFONC-XMMPIXPASA-N	417.578	5.125	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(OCc2ccccc2)cc1	522529813	FSYXNPPIAYMVIN-JTAQYXEDSA-N	418.443	5.028	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1	522603866	DLPXTFJSQCLGED-QGZVFWFLSA-N	418.006	5.325	30	20	HKED	
CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523419699	PORHMMKQRRZNQO-CYFREDJKSA-N	405.542	5.764	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(C#N)cc1	525248970	KMMYRDLPMFFDHR-ZWKOTPCHSA-N	401.485	5.290	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	525630796	JGLLESPERIXOCU-CQSZACIVSA-N	412.486	5.248	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1-n1cccn1	532359323	ZQFXBZJOHSYQOJ-FQEVSTJZSA-N	408.505	5.174	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	532688845	YYFATYMDNMCYEI-KRWDZBQOSA-N	407.461	5.194	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	533765947	HAZCBTPKFVOJTJ-GOEBONIOSA-N	416.616	6.052	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	535604449	UHCLDBBXUSGOSN-ZDUSSCGKSA-N	409.873	5.142	30	20	HKED	
C=C(C)[C@@H](CC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)OCC	535912009	WWEOZGNBPYWHJG-SUMWQHHRSA-N	423.376	5.121	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	536491708	PELIKKSEBCJISR-UHFFFAOYSA-N	412.405	5.301	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)OCC	538253613	KFYRTYPBLOLNHY-LJQANCHMSA-N	417.531	5.079	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(C#N)c(F)c1	538507413	CZISHHRAHMGLOX-SJORKVTESA-N	419.475	5.429	30	20	HKED	
Cc1ccncc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543051260	AKRUWKRFIOCAAR-AWEZNQCLSA-N	416.287	5.821	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	543481503	QDILQBGNDSLNLR-JOCHJYFZSA-N	407.876	5.306	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCCCC4)nc3)n2)cc1	545449396	STTGPXUPOMOWCJ-HXUWFJFHSA-N	416.550	5.384	30	20	HKED	
CC(C)c1ccc(-c2nc(CN3CCC(C#N)(c4ccccn4)CC3)cs2)cc1	548798135	XDDWABJMMGBHFH-UHFFFAOYSA-N	402.567	5.386	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	564161442	RHWZXMXYNIUZFD-MAEOIBBWSA-N	417.431	5.935	30	20	HKED	
COc1cccc([C@@H](N[C@H]2CCc3ccc(C#N)cc32)c2cc(F)ccc2OC)c1	567524623	YHLNNRCRZSWOKB-UKILVPOCSA-N	402.469	5.081	30	20	HKED	
Cc1nc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1-c1ccccc1	571218464	OBHYFKIBRUCNKE-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#Cc1ccc(CNC(=O)c2sc3ccccc3c2Br)cc1Cl	589462827	KGKNYYGIYKJSQI-UHFFFAOYSA-N	405.704	5.119	30	20	HKED	
N#CCn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2ccccc21	591862291	NRDUZHGVEZTYDX-QGZVFWFLSA-N	416.893	5.432	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl	603732422	GVVNOUIVJFBYMF-UHFFFAOYSA-N	413.688	5.325	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3cccc(Br)c3)cn2)cc1	603765043	SECFUZJCZOINSA-UHFFFAOYSA-N	422.282	5.079	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2Sc2ccccc2C#N)sc1SCC#N	603775871	QGLMKPBSRGSCCD-UHFFFAOYSA-N	422.560	5.342	30	20	HKED	
CCc1cc(C#N)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)s1	604028662	CUSOIVPNLAVMSF-SECBINFHSA-N	413.724	5.004	30	20	HKED	
O=C(Nc1ccc(-c2ccccc2)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	605029410	IRFZNOCJBATDFN-UHFFFAOYSA-N	420.328	5.841	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1	606943100	CELLBKRLJVFZSF-UHFFFAOYSA-N	422.356	5.414	30	20	HKED	
C=CCN(C(=O)CCc1c[nH]c2c(C)cccc12)c1nc(-c2ccccc2)cs1	607443522	DGVPJVLVWHHFJD-UHFFFAOYSA-N	401.535	5.752	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)cc1	609125397	BBCDWEUDZUQMLG-MRXNPFEDSA-N	401.413	5.356	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609505400	FRAHCEPKKOWQBV-UHFFFAOYSA-N	421.456	6.099	30	20	HKED	
N#Cc1ccc2ncc(/C=C/c3nc(-c4ccc(Br)cc4)cs3)n2c1	609910531	SJNVLQPMKRCLRR-SOFGYWHQSA-N	407.296	5.262	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3cccc(Cl)c3)cn2)c1	610665671	BZTVMZQHLRQIIJ-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1ccc2ccccc2n1	613292447	KKZVWLBOACSIAO-NRFANRHFSA-N	419.459	5.867	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2o1	614439664	CDNBQTKIMDXADS-HXUWFJFHSA-N	418.456	5.479	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1cccc(C)c1	617940817	NXJGQQMANYAXQF-MRXNPFEDSA-N	424.595	5.281	30	20	HKED	
CCC(CC)N(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCCc2cccnc21	619752081	SBZAVZPABWNMTK-QFIPXVFZSA-N	400.526	5.268	30	20	HKED	
O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674443164	DXVRPSIVTGBCIP-HZPDHXFCSA-N	421.312	5.431	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674447499	RTUXKCCVPJBRFC-JULQROHOSA-N	419.287	5.008	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1cccc(OC)c1	685552095	CLYBETSBXJPJOM-QFIPXVFZSA-N	411.509	5.029	30	20	HKED	
O=c1c2ccccc2nc(S)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	725859386	NGANAGWLEKAHCP-UHFFFAOYSA-N	416.289	5.134	30	20	HKED	
N#CCCCOc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1	726802249	XZRHMKZNSQTIGO-PDGQHHTCSA-N	414.939	5.428	30	20	HKED	
Cc1cc(C)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Cl)c1	727980460	MJFAWWSDRWIGHP-UHFFFAOYSA-N	421.953	6.216	30	20	HKED	
C=CCN(C(=O)c1cc2nc(C)ccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	729168927	HLEWUPKBASIKIX-UHFFFAOYSA-N	420.450	5.001	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C(=O)Nc1cccc(OCC#N)c1)c1ccccc1	730171841	CHRJTVDRYSTBSR-JOCHJYFZSA-N	406.869	5.310	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(C)c1	730417047	KCFUVTZEIQZWFT-QGZVFWFLSA-N	408.498	5.590	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)NCc2ccc(OCC#N)cc2)c2ccccc2)c1	730544052	UCDFTMRWARWVIW-RUZDIDTESA-N	414.505	5.149	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	734705902	UCFURYPHQIMWCB-SIKLNZKXSA-N	410.473	5.246	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)CSc3nc4ccccc4s3)c2)s1	739596029	OSQGWDMMIBIJJO-UHFFFAOYSA-N	421.572	5.305	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4CCCC4)c3)c2)s1	740443772	OQTJDWAKRNNPQF-UHFFFAOYSA-N	402.523	5.209	30	20	HKED	
Cc1nc(C)c2c(C)c(C=NNc3c(F)cc(F)cc3Br)sc2n1	741772637	XSMCCMCYGGNDFP-UHFFFAOYSA-N	411.275	5.103	30	20	HKED	
CSc1ccc(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F	741847524	OWMGPTRMMJOKOO-VOTSOKGWSA-N	400.456	5.475	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C1CCC(c2ccccc2)CC1	744028551	JTFSUKNZTUDGQT-VNXZQDSDSA-N	402.538	5.433	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@]12CCCc1ccccc12)c1nc(-c2c(F)cccc2F)cs1	744074218	JTBHXFQEVAQHLU-NZEOALSQSA-N	420.484	5.559	30	20	HKED	
CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1OCCC	747200151	CKKYYQMCDKWWLU-QGZVFWFLSA-N	408.523	5.293	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1	749939653	RWLREJDMVJVXAS-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1cccc(Cl)c1	750681927	SEVRWQICDPDFLR-YHVDPYDOSA-N	423.925	5.209	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(F)cc1F	752477421	QBJOBYADRFRTHV-BDJLRTHQSA-N	424.419	5.121	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Cc3ccccc3Cl)n2)cc1	754531888	XGQNTUSUJGGAPD-RDTXWAMCSA-N	410.926	5.527	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1nc(O)c2c3c(sc2n1)CCCC3	756505362	QCLUWFBGHPKKFC-KLZNWCGWSA-N	409.555	5.058	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1	761244420	UTYHIJBIHJPGMW-LJQANCHMSA-N	407.857	5.278	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(C#N)cc3Cl)cccc2c1=O	769732064	ZSCCXRKNFZJLFM-UHFFFAOYSA-N	414.848	5.546	30	20	HKED	
CN(CCC#N)c1ccc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1	770576352	MOLNMJPEXKDBBR-PMERELPUSA-N	417.578	5.097	30	20	HKED	
C=CCC[C@@H](NC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21)c1ccccc1	772625146	NBUGQGNQVKWFMG-FYYLOGMGSA-N	417.553	5.020	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1	772981803	BECREWBUEOEWIP-OZXSUGGESA-N	418.512	5.589	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(CC)o2)cc1C#N	775688039	GDTSDGRGSABXFT-MGPUTAFESA-N	424.501	5.287	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)OCCC(C)(C)C#N)c12	776386724	MEJOLPQLQLOIMT-UHFFFAOYSA-N	417.387	5.314	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	777138841	JUZXLPOBWCNEHD-NRFANRHFSA-N	401.959	5.204	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(F)cc1Br)c1nc2cc(Cl)ccc2s1	777296807	MMSHEQISIWYVMY-LBPRGKRZSA-N	423.694	5.270	30	20	HKED	
Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	778275661	UNVAXWHZPREXSO-UHFFFAOYSA-N	401.491	5.197	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1CN(C)C1CCCCC1	780457145	LRFKYLKNFTWWAB-GOSISDBHSA-N	406.530	5.386	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)(F)F)c(F)c1C	785880770	OPPOTKONWRELDX-INIZCTEOSA-N	420.406	5.239	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1	788337955	OHWYTJXLNHALSK-UHFFFAOYSA-N	416.293	5.256	30	20	HKED	
O=C(/C=C/c1ccc(-c2cccc(F)c2F)o1)c1ccc(N2CCC(O)CC2)cc1	790220027	QODPTTZAESMABU-CSKARUKUSA-N	409.432	5.082	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C2CC2)cnc1Cl	793390736	PTSJMUCTOZTMKO-UHFFFAOYSA-N	417.896	5.624	30	20	HKED	
CN(C(=O)C[C@H]1CCC(F)(F)C1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	798214227	DMSOAQPKOPWANW-YGRLFVJLSA-N	403.313	5.593	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	800579476	LDBXVTQMAKMLRG-YOFSQIOKSA-N	413.562	5.199	30	20	HKED	
Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	810823562	RBTMRGKILDKAFW-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
COCOc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	819574258	HLZHONJQAJUXNF-UHFFFAOYSA-N	408.841	5.239	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCC(=O)Nc2cccc(C)c2C)cc1OCC	826100534	QUENAAGVAJYYFR-UHFFFAOYSA-N	418.921	5.134	30	20	HKED	
FC(F)(F)CCc1noc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	904870084	NBLCFHDNMPXDMF-OWOJBTEDSA-N	404.232	5.773	30	20	HKED	
CCOc1cccc(C=Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c1O	912782341	LMMNPKOJDCLJJY-UHFFFAOYSA-N	420.534	5.110	30	20	HKED	
Oc1ccc(Br)cc1/C=N/C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	914702340	BDMUUMZIJKXDNE-VRFPFEPTSA-N	418.175	5.483	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1	915086289	ITMTVQVPFAEDHF-IBGZPJMESA-N	411.288	5.666	30	20	HKED	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1OC(F)F	916140454	VBUZSEXSMQCHHF-KPKJPENVSA-N	409.432	5.174	30	20	HKED	
COc1cc(C=NNc2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C	916539627	APCXYXALLGYISM-UHFFFAOYSA-N	419.403	5.344	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1	916846421	UXPKIUPDRWORBX-FQEVSTJZSA-N	410.498	5.803	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1	916976952	YDXUCIFKBBWLHY-HNNXBMFYSA-N	416.930	5.961	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Br)o1)c1nc2cc(Cl)ccc2s1	917043680	MIEVSXNOJXPFSZ-CJHWANRJSA-N	407.676	5.195	30	20	HKED	
Cc1ccc(-c2nc(COC(=O)c3ccc(COc4ccccc4C#N)o3)cs2)o1	917327267	FZSDOGDSKVLLTP-UHFFFAOYSA-N	420.446	5.112	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S	919942208	TXDXSSFMUGRLPO-IBGZPJMESA-N	411.550	5.136	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920140713	GGYQAFOGURDHHK-LJQANCHMSA-N	403.532	5.349	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1	920344964	VNTRBQMEZDHROK-VWLOTQADSA-N	405.457	5.782	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(nc3O)CCC(C)(C)C4)n2)cc1	1343354264	HYTDENTWYSGLTN-SFHVURJKSA-N	417.534	5.224	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Cl)c3)CCC2)cc1	1789453392	ZMUHAGFLIIIGFM-FQEVSTJZSA-N	423.944	5.251	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3cccs3)cc2)CCC1)C(F)(F)F	1791815048	FFXCPOKDNAGUFY-ZDUSSCGKSA-N	422.472	5.104	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2ccccc2)n[nH]1	1823493438	QARYJEMCEYHAPZ-GHTZIAJQSA-N	422.573	5.198	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(I)cc1	18114784	FKKGINLXOXYYRX-UHFFFAOYSA-N	424.241	5.082	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)c1ccc(Cl)cc1	57090245	DUMULFGZOMTAFB-UHFFFAOYSA-N	419.868	5.309	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	97453800	HFMCQGACULFLQE-INIZCTEOSA-N	420.365	5.508	30	20	HKED	
CCN(Cc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1)C(C)=O	237015960	BIQATHXZOLKWBL-UHFFFAOYSA-N	413.521	5.118	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)cc2)c1	303169216	IKWHLXFQOWBBPD-QFIPXVFZSA-N	424.422	5.812	30	20	HKED	
Cc1ccccc1-c1nnc(S[C@H](C)c2ccc(C#N)cc2)n1Cc1ccco1	303699981	NYDXGRRHFCIDID-QGZVFWFLSA-N	400.507	5.620	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(OCc3ccccc3C#N)cc2)s1	430650599	UWNWBUYSIIHGIC-HXUWFJFHSA-N	415.518	5.381	30	20	HKED	
C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	437962744	YSSKVSMOXCXUJJ-KRWDZBQOSA-N	415.468	5.255	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(COCc2ccccc2)cc1	438381219	ULIVNQUDCHOXPW-UHFFFAOYSA-N	411.505	5.495	30	20	HKED	
C[C@H](Cc1nnc(SCc2ccc(C#N)cc2OC(F)F)o1)c1ccccc1	439543824	RSHLWROUONMWSG-CYBMUJFWSA-N	401.438	5.181	30	20	HKED	
CCCc1c(NC(=O)N(CC)[C@H](C)c2cccc(O)c2)cnn1-c1cccc(C#N)c1	439685416	YRKCNAJFNXQEIA-QGZVFWFLSA-N	417.513	5.017	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1	440935984	BTJDRVZCBLJAGH-UHFFFAOYSA-N	417.515	5.271	30	20	HKED	
N#CCCCn1cc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c2ccccc21	444263718	NFLYCURSXPFHNV-UHFFFAOYSA-N	415.537	5.014	30	20	HKED	
C=CCCCNC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	448019143	UFNMSXJTFBDRTA-UHFFFAOYSA-N	405.420	5.354	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCSc4ccccc43)cc2F)c1	460152921	VLEKSJTTXDPBBC-HXUWFJFHSA-N	418.493	5.494	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	463480269	FREJMVJBPDVLRS-KRWDZBQOSA-N	416.452	5.124	30	20	HKED	
CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1nc(C(F)(F)F)cs1	466667030	WDODWTWQXHAVRP-MRXNPFEDSA-N	424.492	5.352	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1	467344337	PXESUAWRZKZKNG-UHFFFAOYSA-N	407.489	5.123	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	474433481	NIFHADNWOIELCI-LBPRGKRZSA-N	406.351	5.794	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1	476144571	KWQRTRMTWSMEKB-UHFFFAOYSA-N	423.538	5.330	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1	476172065	ZFSPALLXAMGSEU-UHFFFAOYSA-N	409.917	5.813	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)o1	482735498	LQLUXDBOFZUKBV-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483246747	UZLLDFLQHGDDOX-OAHLLOKOSA-N	404.882	5.205	30	20	HKED	
C=CCSc1ccccc1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1	485462086	FCLOGACWCWDZFQ-UHFFFAOYSA-N	401.959	5.096	30	20	HKED	
CC(=O)N(C)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1	485896982	IFYXGDACZAGGMV-UHFFFAOYSA-N	417.896	5.041	30	20	HKED	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@H](CCCC#N)c1ccccc1	487619567	RGPQHBPXYVOLKS-JOCHJYFZSA-N	416.525	5.072	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CSCC(=O)c1ccc(Cl)cc1	499233289	MLNKNTCCTMEPSX-UHFFFAOYSA-N	414.379	5.186	30	20	HKED	
Cc1ccc(Oc2ccccc2CNCc2cn(CCC#N)nc2-c2ccccc2)cc1	500898308	YHPBDJQOHWUXJL-UHFFFAOYSA-N	422.532	5.854	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)cc1	502438773	VTTUXZPWRJOMBP-UHFFFAOYSA-N	416.481	5.113	30	20	HKED	
CSc1cccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	502650056	JMRFCWDYKQTALJ-UHFFFAOYSA-N	402.479	5.176	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1	503374549	OLFXIMKHGQIQHZ-XMMPIXPASA-N	417.557	5.045	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)CC2)cc1	503629583	TXBVGQHMKLUGNN-UHFFFAOYSA-N	414.440	5.206	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1	506201310	BJTLZEUUNJVYGU-UHFFFAOYSA-N	400.265	5.026	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc(C2(c3cccc(C#N)c3)CC2)n1	508675554	AMCGBVVPPUWLOT-FQEVSTJZSA-N	407.901	5.233	30	20	HKED	
CCN(Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1)C(C)C	509017985	PRZOPHZWVWHYEU-UHFFFAOYSA-N	401.510	5.229	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N(CCC#N)c1ccccc1	510180754	MXTZEQSBKXNKOC-GOSISDBHSA-N	412.518	5.048	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C	510496558	NQLFTNPOFGRDBP-GASCZTMLSA-N	409.917	5.176	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1OCC(F)(F)F	517455610	VGEUKCYYYLSXED-AWEZNQCLSA-N	424.444	5.039	30	20	HKED	
CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1	518996410	IYXNBLHOZCXWNT-UHFFFAOYSA-N	410.926	5.012	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1c[nH]c2ccccc12	519434417	ZZPFBJLKVITGEE-UHFFFAOYSA-N	417.456	5.764	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)o2)cc1	519978300	SBDXLMUBLGPHTM-UHFFFAOYSA-N	422.440	6.065	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)n1	520605349	USRCZOMNEQGYNN-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1S[C@H](C)CC#N	520633103	ALEVFKFMYJKCBI-OPYAIIAOSA-N	423.582	6.095	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nnc([C@H](CC)c2ccccc2)s1	521651492	FSBSSADLQRXRFW-HXUWFJFHSA-N	417.538	5.172	30	20	HKED	
CSCC[C@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	523027990	RZSFWFSZZHMHPR-HNNXBMFYSA-N	417.962	5.396	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1	524096982	TYSMZLKMPUNCTR-XMMPIXPASA-N	412.489	5.123	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1Cl	525658083	JVNRNMLZRFYLED-SFTDATJTSA-N	418.949	6.214	30	20	HKED	
C[C@H](CNCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccccc2)no1	534826334	MVKYLIVXENAFQJ-LJQANCHMSA-N	424.504	5.081	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1nc(C)c(-c2nc3ccccc3n2C(F)F)s1)OCC	535211509	OIDWVYCSGSUMQP-HNNXBMFYSA-N	420.485	5.173	30	20	HKED	
CCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1ccc(F)cc1)c1cccnc1	537464665	VPARTHQRQXPIOI-DEOSSOPVSA-N	413.496	5.418	30	20	HKED	
CC1(C)CC[C@@H]2C[C@H](NC(=O)CCCC(=O)Nc3ccccc3C#N)c3cccc1c32	539578490	HUHZKTOISPMPFX-VGSWGCGISA-N	415.537	5.083	30	20	HKED	
Cc1sc(CCNC2CCC(C#N)(c3ccccc3)CC2)nc1-c1ccccc1	540158266	PBOGKBOSQALWCX-UHFFFAOYSA-N	401.579	5.655	30	20	HKED	
C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1cccc(C#N)c1	540596302	RQKCGSXSNGQAAY-VOIUYBSRSA-N	404.897	5.423	30	20	HKED	
COc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	543914912	YAKGJBCHBXFCRJ-KRWDZBQOSA-N	415.493	5.434	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C	544315827	KQMSNTRHVLVIFK-UHFFFAOYSA-N	418.497	5.151	30	20	HKED	
N#Cc1cccc(C2(c3nc(C(F)(F)c4ccc(Cl)c(Cl)c4)no3)CC2)c1	545138495	YHXIVLNDISGBOF-UHFFFAOYSA-N	406.219	5.468	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1Cl)C1CCCCC1	551521979	QAXGOQMMILAGQM-UHFFFAOYSA-N	413.880	5.008	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2ccsc2Cl)cc1	556359136	KNLBPYFMPYHLCN-UHFFFAOYSA-N	414.870	5.092	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1	558310960	DRNYAHYRXWTOBN-UHFFFAOYSA-N	422.481	5.183	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1)C(F)(F)F	562495769	GMKQUXUKSBKDAM-QGZVFWFLSA-N	414.452	6.140	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2COc3ccccc32)cc1Cl	564166248	QXTYLQXWLAZRLP-UWJYYQICSA-N	417.896	5.293	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCc2cccc(C#N)c2)cc1	565963794	GCJJETCORQIRMQ-UHFFFAOYSA-N	423.516	5.007	30	20	HKED	
N#Cc1c(F)cccc1/C=C(\CC(=O)O)c1nc2cc(Br)ccc2s1	565983701	NKYBDYXVLPNCBX-IZZDOVSWSA-N	417.259	5.085	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@H]1C[C@H]1C	569282530	BNXSCPKDNHBKTC-NSYGIPOTSA-N	409.489	5.239	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F	570949434	GQAMGLFQWMJSOE-LJQANCHMSA-N	404.476	6.081	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	577331235	UOWVMGOITSDJBN-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)CC1	578163778	LJRGCJYHCOESCX-UHFFFAOYSA-N	421.972	5.312	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c1	579028360	GAVUVNHIXVABAT-JOCHJYFZSA-N	422.912	5.035	30	20	HKED	
N#Cc1ccsc1NC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl	582628952	CQRRWZUQDFTGHT-IBGZPJMESA-N	416.333	5.244	30	20	HKED	
N#Cc1cc(F)cc(C2(c3nc(Cc4nc5cc(Cl)ccc5s4)no3)CC2)c1	582990231	OQYYRLMUYRNUMW-UHFFFAOYSA-N	410.861	5.014	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1c2ccccc2CC12CCOCC2	583114209	ZGWCEGHUIGUVFV-VGSWGCGISA-N	421.566	5.154	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccco2)s1)c1nc2cc(C(F)(F)F)ccc2s1	590995268	QVPFYBYRURIIFR-SNVBAGLBSA-N	419.409	5.522	30	20	HKED	
C=CCOc1ccc(CN[C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cc1	598038182	ZYQADPDKGCUSRB-NRFANRHFSA-N	406.551	5.551	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)o1	603739266	LKUNRJOHBDLCOB-UHFFFAOYSA-N	418.493	5.037	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)NC(C)(C)C	607274668	NDYOSVWZIGWJRT-HNNXBMFYSA-N	424.501	5.154	30	20	HKED	
CO[C@@H](C)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	608882695	KIXJOVBKWXDWMA-KRWDZBQOSA-N	402.519	5.810	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N	609385699	KOTDFSYZPYUHCA-RXVVDRJESA-N	423.582	5.113	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(OC(F)F)cc1	609389386	NEHBZBBJONEMED-AWEZNQCLSA-N	422.522	5.412	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1cccc2ccccc12	609389531	UJYQQOKNMDLUOZ-ZWKOTPCHSA-N	420.603	6.524	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	609437303	ZUQJBDFWDLPDNB-CTNGQTDRSA-N	422.598	5.115	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C[C@H]3C[C@H]4CC[C@H]3C4)cc2)nc1	609517509	RKUOVOHCXRPRFD-MVWVFHAYSA-N	401.510	5.176	30	20	HKED	
CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	609638779	FIWOYBRRDGCSJE-GFCCVEGCSA-N	416.852	5.002	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610290522	YHDPPRISFHEBGA-UHFFFAOYSA-N	404.495	5.420	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(COc2ccccc2)n1-c1ccccc1	610863418	GJBPFUUGRVLIOC-JOCHJYFZSA-N	412.518	5.073	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N2CCC[C@@](C)(C#N)C2)nc1-c1ccc(Cl)cc1	612141776	AMXLSAAJLYWFRD-RBZFPXEDSA-N	402.951	5.168	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612805326	RWQHAOTXLJQKKP-VXGBXAGGSA-N	414.415	5.355	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	619427802	NTQODUWVIAXZIS-WCVJEAGWSA-N	406.370	5.100	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)Nc3sc(C)c(C)c3C#N)c2C(F)(F)F)c1	619674787	FWCWUYARUJQKEI-UHFFFAOYSA-N	404.417	5.002	30	20	HKED	
Cc1c(NC(=O)NCc2ccc(C#N)c(Cl)c2)cccc1C(=O)Nc1ccccc1	619787895	SOCVRPWDIFITAZ-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
CCCOc1ccc([C@@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OC	726467401	WVIQKURFMFMJNB-CYBMUJFWSA-N	403.935	5.057	30	20	HKED	
CC(C)N(CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C	727133299	LNUZZBAANTWJFP-JOCHJYFZSA-N	421.541	5.316	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1OC	727804846	NUDNSWKPLAEPDB-WYMLVPIESA-N	424.497	5.259	30	20	HKED	
C=CCN(C(=O)c1sccc1SC(F)F)c1nc(-c2ccccc2)cs1	730469847	ROBUDMYUOOECJX-UHFFFAOYSA-N	408.520	6.019	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2C)cc1	731349831	SWUHKPPOOSZBTI-QGZVFWFLSA-N	419.550	5.749	30	20	HKED	
CCN(C(=O)/C=C\c1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1cccnc1	732961594	GGOQPZMFYGVBQE-ABQONYIQSA-N	401.897	5.258	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc(-c2ccncc2)cs1	734081795	RRXVYIFMGCELDU-HEDKFQSOSA-N	415.518	5.416	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1cc(C)c(Cl)cc1OC)c1ccc(C)cc1	739156496	YECUXHAVBUMZHV-WMZOPIPTSA-N	412.917	5.197	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1	739157846	XTBOJRUHJKFSCS-ZWNOBZJWSA-N	407.347	6.158	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1cccc(-c2nc(C)cs2)c1	739469696	ARNKAPXTIXAJOL-UHFFFAOYSA-N	409.536	5.004	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	743226763	QBGRBGXKTDTYFB-GOSISDBHSA-N	409.530	5.492	30	20	HKED	
CC(C)(CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	743449875	WEDRSCHECJPJAD-QGZVFWFLSA-N	402.466	5.017	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038314	QDBKPXGDEFMWPQ-DGCLKSJQSA-N	407.342	5.430	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CC[C@@H](c3ccccc3)[C@H](CC)C2)c1=S	746384537	ZAFMOPTYXUOEQN-DENIHFKCSA-N	419.598	5.135	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)c1ccc(N2CCOC2=O)cc1	748583783	HAPCHNRCBONWQN-LUAWRHEFSA-N	409.894	5.921	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCOCC1	756516539	UGUPTRUSBHNJSE-NHYWBVRUSA-N	409.338	5.356	30	20	HKED	
CC(=O)N1C/C(=C/c2ccc(Oc3cccc(F)c3)cc2)C(=O)c2ccccc2C1	766490773	KFODKRZQBFZQRQ-MOSHPQCFSA-N	401.437	5.246	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	766619735	OJKPZUQPWLXYKT-OAHLLOKOSA-N	421.570	5.107	30	20	HKED	
C[C@H](CSCc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	772972704	VYXPLUHGFIVUIH-CJNGLKHVSA-N	421.349	5.210	30	20	HKED	
COc1ccc(C[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2)cc1OC	776155332	DZEBPKSXSOMQOL-CYFREDJKSA-N	416.521	5.241	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1	778599975	UXCCERRNMWBCOR-OAHLLOKOSA-N	404.775	5.354	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12	780158056	JURVMAGJWFCOBB-CQSZACIVSA-N	418.497	5.232	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1	780671723	ZVJYLQFSYYRSOL-CYBMUJFWSA-N	404.297	5.481	30	20	HKED	
CO[C@@H](C)c1nc(COC(=O)c2ccccc2Sc2ccccc2C#N)cs1	781971168	WWDQQPYDQDWOPZ-AWEZNQCLSA-N	410.520	5.230	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1ccccn1)c1cc(Br)cs1	782368675	IQUBTUZWWFOVAP-CMDGGOBGSA-N	400.297	5.381	30	20	HKED	
Cc1cc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)oc2cc1C	783076918	MLKCTFDHQBZYBH-INIZCTEOSA-N	414.433	5.326	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](c3cccc(C)c3)C2)c1=S	784028665	XDOAMEWCVPODOS-HXUWFJFHSA-N	420.582	5.031	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nccc3ccccc23)cc1	792094118	CQVVMFCYCYDOMM-HXUWFJFHSA-N	401.466	5.001	30	20	HKED	
Cc1ccc(-n2c(N(C)C)nc(CN[C@@H](CCCC#N)c3ccccc3)c2Cl)cc1	816627014	CIHBWIITBOYJKB-NRFANRHFSA-N	421.976	5.425	30	20	HKED	
CCn1c2ccccc2c2cc(C=Nn3cnc4sc(C)c(C)c4c3=O)ccc21	916311063	YNGXEILHUSENMF-UHFFFAOYSA-N	400.507	5.085	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)c2)c(C)c1	916895632	OAJMUPFONMENOT-JOCHJYFZSA-N	420.578	5.367	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	916916494	UTTRGUOEFBCHAH-LJQANCHMSA-N	411.486	5.233	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	917042957	IJEBGVAPISWDBE-AWEZNQCLSA-N	416.449	5.949	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)O[C@H](c1cc(C)cc(C)c1)C(F)(F)F	918562925	HUZXECRAYCKIKI-OAQYLSRUSA-N	421.415	5.190	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5s4)CCC3)cc2)C1	1785806597	CMXNYIPNDXONIM-UHFFFAOYSA-N	406.507	5.208	30	20	HKED	
CCC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)CCC1	1790707829	RTIWQGRVRJSKJF-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc4c3CCCO4)CCC2)cc1	1791247874	KONNRNLICXYFRN-MRXNPFEDSA-N	424.566	5.033	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)C)s1	1797153264	GRPCTKDJOGXSJO-RDGPPVDQSA-N	414.615	5.066	30	20	HKED	
C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1	1832564966	SRRVBJRNYKZJFI-LJQANCHMSA-N	423.384	5.111	30	20	HKED	
C[C@@H](C#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1	6039382	COINDMACLRHFDC-ZDUSSCGKSA-N	409.565	5.173	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1	7773374	MTYKWPBBUGOQLH-ZDUSSCGKSA-N	400.891	5.546	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc3c(c2)CCCC3)c(C)s1	10170847	YJOBRJRTLKKUDE-UHFFFAOYSA-O	421.611	5.582	30	20	HKED	
N#Cc1c(NC(=O)CCN2Cc3ccccc3-c3ccccc3C2)sc2c1CCC2	60361290	WHQZQJSNRUXBED-UHFFFAOYSA-N	413.546	5.120	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2ccc(CC)cc2)n1	62888057	OWPMABQSZOHDSF-UHFFFAOYSA-N	421.522	5.038	30	20	HKED	
Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	71944569	OYMUQPZKJJGJLT-XMMPIXPASA-N	414.509	5.039	30	20	HKED	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nnc(C(F)F)s1	144524064	HJOYBJMRWKQEPT-OWOJBTEDSA-N	417.281	5.165	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1F	195568879	ALZJNOIWDXOVEC-ZDUSSCGKSA-N	416.909	5.043	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(F)c1	303040847	PVKRHKHWAYSZFP-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
CCOc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	303417458	XAMSUYJOMQDULD-XMSQKQJNSA-N	423.582	5.255	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	303683175	ZIQKGRZPNNMDOM-ZIAGYGMSSA-N	421.312	5.528	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](c2ccccc2)O1	409811361	WJJGZSMRDZCRGN-UUOWRZLLSA-N	413.477	5.344	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Sc3ccccc3Cl)nn2)n1	426175154	RHOTXQKIVRPHFS-GFCCVEGCSA-N	414.943	5.351	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Oc4cccc(Cl)c4)cc3)nc12	429589512	DPHKOWPNZRVPDL-GOSISDBHSA-N	402.841	5.202	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl	431899290	CJHZTGWQWXNULG-NEJLPYICSA-N	423.944	5.010	30	20	HKED	
N#CCCC[C@H](NCc1ncc(-c2ccc(Br)cc2)o1)c1ccccc1	433029659	CDOQJUYKJCRXSY-IBGZPJMESA-N	410.315	5.629	30	20	HKED	
CN(Cc1cc(F)cc(F)c1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	434188527	XJOZIKXRPBWNAQ-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
C=CCN1CCC(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1	435676051	QFJASVJHAFNKPW-UHFFFAOYSA-N	422.356	5.152	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1	439667687	LIBKBXCFGWWXLT-JOCHJYFZSA-N	417.488	5.205	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1cccc(C#N)c1	442915360	ZEPGGETWMWCQRH-HNNXBMFYSA-N	410.930	5.421	30	20	HKED	
Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2cc(C#N)ccc2OC(C)C)c1	444033773	NNJATYAJXCQKOM-UHFFFAOYSA-N	414.509	5.283	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)Cc2noc(CSCc3ccc(C#N)cc3)n2)cc1	445263312	DAOTVVXDQLICPD-INIZCTEOSA-N	420.538	5.069	30	20	HKED	
C[C@H](C(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1)c1cccc(C#N)c1	461903386	PUKOIVYJKQVFMV-ZWKOTPCHSA-N	412.493	5.183	30	20	HKED	
Cc1ccc(NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)c(Cl)c1	463228961	HNFJQBLJOMUCNE-UHFFFAOYSA-N	409.848	5.502	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@H](C#N)C(C)(C)C)c3cnn(C(C)C)c3n2)c(C)s1	464706900	BJYVZQWWIGCZIP-LJQANCHMSA-N	409.559	5.026	30	20	HKED	
C=CCN(C(=O)c1cc(F)cc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	465413127	RKTOCGGTVFVPNU-UHFFFAOYSA-N	417.849	5.344	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C	467930591	RREPEDJKBLQSAX-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccccc4)s3)ccc21	469150494	WJFFWOLWPVTGSN-UHFFFAOYSA-N	401.535	5.610	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	474161964	TXTFFPUABOXBRC-UHFFFAOYSA-N	405.372	5.309	30	20	HKED	
CCn1ncc2c(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc(-c3ccccc3)nc21	474434305	RZTYDMBRRVETQB-QGZVFWFLSA-N	415.522	5.188	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2N(C)C(=O)c2cccs2)n1	474445423	MLFDNJFEHGCXTL-HNNXBMFYSA-N	409.536	5.095	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cc1	475461034	RTARYRVLUZVCHL-UHFFFAOYSA-N	409.917	5.020	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1	475584025	XPUAMOAZKOFJQJ-FQEVSTJZSA-N	419.569	5.212	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1	475759188	KTBNDEZBFSKXEW-LJQANCHMSA-N	421.299	5.147	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	475932317	IHTROZTUVXGBSC-QHCPKHFHSA-N	417.940	5.788	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	476076541	BDKVWYBPOKZBHM-UHFFFAOYSA-N	404.558	6.240	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C	476084480	MQYPLODDXACZGX-UHFFFAOYSA-N	412.896	5.472	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	478695731	DRUZIMWRDGNMDC-QRWLVFNGSA-N	406.917	5.724	30	20	HKED	
N#Cc1ccc(SCC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1	481925408	YTRPUHUWJIMGHH-UEXBFKPASA-N	410.542	5.064	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)cc1	483435681	HKFUCDIZNPLJAT-DNQXCXABSA-N	416.452	5.140	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1cnn(C)c1)C(C)(C)C	483452919	FKCWNYYIBNSDHZ-JOCHJYFZSA-N	417.513	5.301	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1	485767431	PDGTYQAHQGYWCH-UHFFFAOYSA-N	420.509	5.286	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(C)c(Cl)cc2OC)cc1	502646497	GUEJIJVRBZRKSB-UHFFFAOYSA-N	413.905	5.115	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)CCOC2)c1nc(-c2ccc(Cl)cc2)cs1	503550247	KBKSPPOPTWOCHT-AWEZNQCLSA-N	400.912	5.088	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1	503858282	ONWWPHWHHOPXHA-NRFANRHFSA-N	407.926	5.064	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1cc(C)n(CCC#N)n1)c(C)n2C1CCCCC1	504096878	JTXCLJLYLVGGKQ-UHFFFAOYSA-N	419.529	5.134	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(OCc2ccccc2)cc1	505343896	MWUPYXKYZNDDMO-HBMCJLEFSA-N	416.443	5.315	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cccc(Cl)c1Cl	505345790	UJKRTQXDHSXDPI-IPYPFGDCSA-N	411.235	5.079	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([C@@H]4CCCOC4)cc3)n2)cc1	505716872	NBIJBNBJUPTRKZ-RTWAWAEBSA-N	413.502	5.066	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1	506332279	RKPMBKUOFMOKCR-HNNXBMFYSA-N	401.310	5.197	30	20	HKED	
C=CCOc1c(Br)cc(CN2CCC[C@@H]2c2cc(C)no2)cc1OCC	509764135	DXHDOWFEEXQCAH-QGZVFWFLSA-N	421.335	5.046	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510172856	OIPXHJHQDNAYOS-KRWDZBQOSA-N	401.535	5.863	30	20	HKED	
FC(F)Oc1ccc([C@@H](NCc2nc(C(F)(F)F)cs2)C(F)(F)F)cc1	510419120	CZAMMVKUEPNKQZ-LLVKDONJSA-N	406.298	5.157	30	20	HKED	
CC(C)(C)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	511568200	YCUIBJFRODFMIC-NRFANRHFSA-N	424.976	5.380	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)c4ccccc34)n2)cc1	512504957	VRASQPBDDWWHKU-FQEVSTJZSA-N	414.486	5.471	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)s2)cc1	514502932	OJMNBEYCBVIYQM-HXUWFJFHSA-N	422.941	5.628	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc2ccccc2n1C(F)F	517281474	NKYFYUHVNAPDKT-INIZCTEOSA-N	420.444	5.468	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1cccc(Cl)c1Cl	517492463	ZZXLAVNPANHVPM-OAHLLOKOSA-N	423.097	5.232	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	517531391	CVHNWTBSOALXGY-JKSUJKDBSA-N	422.579	6.087	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc([N+](=O)[O-])c1	518668678	LOACWRGARZVKQR-UHFFFAOYSA-N	409.389	5.180	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)cc1	520198025	XUHJELZTOMNEKZ-CYBMUJFWSA-N	404.333	5.165	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc2ccccc2[nH]1	520706623	BYWJQUXUHVSRMK-LJQANCHMSA-N	414.440	5.247	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1	521811876	XOXNOWZAPLXVOV-CYBMUJFWSA-N	420.365	5.978	30	20	HKED	
Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	521885395	IBKGBQKNCKDADU-XOBRGWDASA-N	406.917	5.088	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	524436429	URIOIUCVRLQIKJ-JTQLQIEISA-N	414.239	5.691	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1	524599313	HRPYPRRJRSBWLD-UHFFFAOYSA-N	408.420	5.165	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	524837648	SKCJEKCHIPTAKX-AWEZNQCLSA-N	422.392	5.550	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)s1	525070865	MSCZEUXELTVKKX-MRXNPFEDSA-N	404.539	5.462	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N(Cc3cccnc3)Cc3ccco3)c2)cc1	533855778	YNKVRBSRTCVFCU-UHFFFAOYSA-N	408.461	5.132	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2cc1OC(F)F)c1ccc(C(F)(F)F)cn1	535641824	UMEKVKACGZZEHJ-OAHLLOKOSA-N	406.310	5.345	30	20	HKED	
C=CCN(C(=O)c1cccc(-c2ccccn2)c1C)c1nc(-c2ccccc2)cs1	535848143	DQYLZFGBCADGTB-UHFFFAOYSA-N	411.530	6.013	30	20	HKED	
C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1cccc(C#N)c1	540596299	RQKCGSXSNGQAAY-GYCJOSAFSA-N	404.897	5.423	30	20	HKED	
C[C@@H](NC(=O)c1sccc1Br)c1ccc(-c2cccc(C#N)c2)cc1	542930296	NAKPDYREIZFSQC-CYBMUJFWSA-N	411.324	5.540	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	543473737	MDZVDAGDQONHGO-RDJZCZTQSA-N	404.539	5.154	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1NC(=O)C(C)(C)C	544248783	LCSUOKCCUDLMJF-UHFFFAOYSA-N	404.514	5.048	30	20	HKED	
Cc1ncsc1CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	553237407	AGMZBOQGWQNRPS-SFHVURJKSA-N	410.930	5.424	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C#N)c(Br)c1	558213373	ATKUSWYHNVJWQY-UHFFFAOYSA-N	416.662	5.190	30	20	HKED	
COc1ccc([C@H](CCC#N)NCc2ccc(Oc3ccccc3F)c(F)c2)cc1	559984282	FCPNPFXSYAIBAS-QFIPXVFZSA-N	408.448	5.900	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](Cc1c(C)cc(C)cc1C)C(F)(F)F	561216138	WHCOVLFXFNGOSR-OAQYLSRUSA-N	423.475	5.023	30	20	HKED	
Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)sc2ccc(F)cc12	561304352	AELMAPSCDWKPCJ-UHFFFAOYSA-N	412.461	5.043	30	20	HKED	
COc1ccc([C@@H](CCC#N)NCc2ccc(-c3nc4ccccc4s3)o2)cc1	562593395	KXDVHEZVZXDIGD-LJQANCHMSA-N	403.507	5.700	30	20	HKED	
N#Cc1ccc(Br)c(CN[C@H](c2ccc(F)cc2)c2cccs2)c1	571115130	JTKXKZMNQUGVKG-LJQANCHMSA-N	401.304	5.401	30	20	HKED	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc(COCC(F)(F)C(F)F)no1	575162236	UIQZGHLNDSCJGW-LLVKDONJSA-N	414.321	5.242	30	20	HKED	
Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1cc(C#N)ccc1Cl	575212480	XVEQEPFVJITUSW-UHFFFAOYSA-N	403.294	5.002	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1Cl	582612694	AXMFSFFPDLNQQJ-UHFFFAOYSA-N	408.304	5.535	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@H](Oc1ccccc1Br)c1ccccc1	584018864	BBTRWVDSEBPYBL-LJQANCHMSA-N	415.331	5.015	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(C#N)c(Br)c1	589009505	LLAWMDPKMNOKBE-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)cn1	589829995	CCHYZUURJJRZAY-LBPRGKRZSA-N	407.804	5.367	30	20	HKED	
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	602227661	QVUQCWCEOSVDGR-UHFFFAOYSA-N	411.914	5.055	30	20	HKED	
COc1ccccc1OCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603758790	HZRXOKOZWHZTOH-FQEVSTJZSA-N	420.896	5.412	30	20	HKED	
Cc1ccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(C)c1	603818493	OATVRCQBUGWBEK-UHFFFAOYSA-N	403.507	5.050	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)o1	603866030	IAGDWZRYDLXFDO-UHFFFAOYSA-N	402.450	5.304	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3C(F)(F)F)cn2)cc1	604500108	YHIDTYUYXGTXGS-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3sc4cccc(Cl)c4c3Cl)[nH]c12	605362779	TUSYBGVWQOAHNU-JTQLQIEISA-N	400.290	5.883	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)c1	607302461	NBQLEKOUSZNUHK-UHFFFAOYSA-N	401.466	5.456	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nc2sc(C)c(C)c2c1=O	607757436	LWTWWCONUZWQMC-GFCCVEGCSA-N	421.613	5.107	30	20	HKED	
CCc1c(C)sc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1C#N	609033235	ZHFNBOGCXVNUFP-UHFFFAOYSA-N	415.971	5.373	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	609298253	POBNQXBUNAUNTM-UHFFFAOYSA-N	415.280	5.090	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	609402047	YODHGRLFGGFJTP-GOSISDBHSA-N	406.555	5.500	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)c(C)c1	609428703	VNFVLPFMBYNRMK-MRXNPFEDSA-N	421.591	6.382	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n(C(C)(C)C)n1	609501739	AXCLTWHUVLNFGR-UHFFFAOYSA-N	417.513	5.247	30	20	HKED	
CCN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)c1cccc(O)c1	609844896	PBLIWXOVVIEXRT-QGZVFWFLSA-N	401.466	5.671	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc(F)cc1	610195329	RFQYSYVUGNAQRL-MRXNPFEDSA-N	416.239	5.314	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1	610226760	ZTLPFAHHVWVAER-FQEVSTJZSA-N	416.502	5.577	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1cccc(C#N)c1	610353528	DTSCMPUPLUTYBU-OAHLLOKOSA-N	407.420	5.189	30	20	HKED	
CCN(CC)[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccccc1Cl	611092759	GOPWQEILEDPMIS-GOSISDBHSA-N	424.759	5.331	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1	611358469	OAZLKHVKOBHOEM-UHFFFAOYSA-N	417.419	5.292	30	20	HKED	
N#CCCCOc1cccc(N[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)c1	611521543	RFJVVMHJBMSNOY-NHCUHLMSSA-N	415.331	5.464	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc(-c2ccccc2F)n1Cc1ccco1	614402044	YAOJGZZFZZIKEM-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
Cc1cc(C#N)ccc1CN[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1	614406207	WFLCRRBBCWAFDX-AWEZNQCLSA-N	412.356	5.604	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	619508211	PFNWQGOFKZKAJQ-MPGHIAIKSA-N	404.398	5.825	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2oc3ccc(F)cc3c2C)cc1	620068829	LCVZDPZAKHCTBI-UHFFFAOYSA-N	421.472	5.016	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1	620670525	KSSMSTQJHRTSQD-OAHLLOKOSA-N	424.397	5.279	30	20	HKED	
C[C@H](N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	644554314	WJRKEUHWXROBCO-ZEGGKSINSA-N	409.292	5.221	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)s1)c1nc2cc(C(F)(F)F)ccc2s1	671751397	HGQICOHOVXLKAQ-QMMMGPOBSA-N	420.359	5.885	30	20	HKED	
Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c2c1	726322913	QZWFHQMISVBTCW-OAHLLOKOSA-N	413.424	5.524	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)cc1F	726801315	GQPHRNFJSXJYKY-XDHOZWIPSA-N	412.511	5.223	30	20	HKED	
CCc1c(C)sc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1C#N	727790762	QUKNROSNXOSSNA-UHFFFAOYSA-N	409.125	5.752	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	728408926	JRZCTJWAMHHTKM-XXBNENTESA-N	406.485	5.469	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@H]1c1ccc(Cl)s1	730452493	LNTWOKLEICWLHM-SFHVURJKSA-N	404.894	5.017	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CCc2ccccc2)CC1	731031167	MAUVLFIRKSKTMP-FQEVSTJZSA-N	421.610	5.222	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(NC2CCCCC2)cc1	731841699	MJGTWWCEFUGEQF-GOSISDBHSA-N	423.582	5.843	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	732059969	XVOHBANXHUPLNT-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3c(s2)-c2ccccc2CC3)c1	733774636	JKLFRWOPEZKSQB-LJQANCHMSA-N	402.519	5.125	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCSc2ccc(Cl)cc2)c1	733775008	NIGXKHQIBRXICC-SFHVURJKSA-N	402.947	5.210	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1	735004058	QTOAOMXUHNCMQG-UHFFFAOYSA-N	416.820	5.363	30	20	HKED	
Cc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(C)n1-c1nccs1	739749139	GHGKIRAFXNHJGG-UHFFFAOYSA-N	418.547	5.081	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)c1c(Cl)nc2sccn12	741843316	FELDEDJHKJPMLR-BQYQJAHWSA-N	417.321	5.152	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)s1	744038119	MNWLFCNZGFQNSC-ZJUUUORDSA-N	424.270	5.235	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c3ccccc3n(C)c2s1	745058885	XJPVCJUZZPWYLM-UHFFFAOYSA-N	405.479	5.130	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2C)C(C)(C)C)ccc1OC	751099166	WBYPMFCZXNTKGL-WMZHIEFXSA-N	423.557	5.271	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1	760009058	PVKJIXLYNJJUAX-YADHBBJMSA-N	413.477	5.154	30	20	HKED	
N#Cc1ccc([C@@H](O)CNC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1	763226684	MZMRTLXDPHOGSQ-OFVILXPXSA-N	415.924	5.148	30	20	HKED	
C=CCn1c(COc2ccccc2)nn(CN(Cc2cccs2)C(C)C)c1=S	764912734	IYGOUIHDPVFZPO-UHFFFAOYSA-N	414.600	5.109	30	20	HKED	
C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccccc1Sc1ccccc1C#N	766722325	MTRUWBUKCQZZKO-KKSFZXQISA-N	420.509	5.091	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(SC(F)F)c2)c1C(F)F	769174335	TVBABFREPAKNSB-UHFFFAOYSA-N	415.334	5.426	30	20	HKED	
CCCCN(CC)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	770118888	MHOXYSMNPNKCBU-HXUWFJFHSA-N	404.539	5.322	30	20	HKED	
C[C@@H](C(=O)OC[C@H](C#N)Cc1cccs1)c1cccc(C(=O)c2ccccc2)c1	772736124	IPUBFJRFCKVNNA-MSOLQXFVSA-N	403.503	5.008	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)O[C@H](C#N)Cc1ccc(F)cc1F	774342934	UWQZRMVAKQFTQB-ZDUSSCGKSA-N	420.774	5.012	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2c1	775493809	AFSNASGPYKEYFV-MRXNPFEDSA-N	420.683	5.198	30	20	HKED	
Cc1ccc(NC(=O)C2(CN[C@H](C)c3ccc(OCC#N)cc3)CCCC2)cc1C	776163086	OLGMTNGYXZKVLV-HXUWFJFHSA-N	405.542	5.056	30	20	HKED	
C[C@H](NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(OCC#N)cc1	776164808	URVZMQDIJGMARG-ZWKOTPCHSA-N	409.530	5.025	30	20	HKED	
Cc1nc(Br)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N	778071571	FQHQLYVFSDPWII-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N	780681749	PANJDFGKSQPQJG-PXNSSMCTSA-N	405.523	5.453	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)cc1	781554974	BJFGNLQDLOUCKX-SEYXRHQNSA-N	407.901	5.056	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC=C(c4ccccc4)C3)cc2F)c1	782570149	WGOGGMLYDSUQFJ-UHFFFAOYSA-N	413.452	5.207	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](O)c1ccccc1	791753267	ZQCVWBIVBKRHTO-DSITVLBTSA-N	413.521	5.366	30	20	HKED	
CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1	795640553	ACQJSPPUXHLFKG-KRWDZBQOSA-N	416.497	5.018	30	20	HKED	
C=CCC[C@@H](Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1)c1ccco1	796914323	XXHBRXBPEBKUGP-HXUWFJFHSA-N	403.482	5.634	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1	800578403	PJTHECIULQVHEB-UHFFFAOYSA-N	421.928	5.492	30	20	HKED	
O=C1/C(=C\c2c(Cl)nc(Cl)n2-c2ccccc2)C[C@@H](C(=O)O)c2ccccc21	806561313	TWDKBCDPKYTMSQ-YUQCYMQKSA-N	413.260	5.017	30	20	HKED	
CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1oc2cc(C)ccc2c1CC(=O)O	814828717	PIELDNZTKHJMLH-UHFFFAOYSA-N	415.371	5.095	30	20	HKED	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	815010072	GVGIMEDXXACUDA-FDDCHVKYSA-N	406.489	5.103	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(Br)s3)c(Cl)nc21	913615442	XXAGURADUXDAKS-ARJAWSKDSA-N	410.724	5.386	30	20	HKED	
N#Cc1ccc(OCCCSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1	915791652	AIZPBTZYACQRIW-UHFFFAOYSA-N	419.984	5.750	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2s1	916846134	IHWRJPUNVJQZTG-CCCPALQASA-N	404.491	6.054	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2F)o1	916903221	LTPMTRZZQYGSJJ-GOSISDBHSA-N	404.441	5.172	30	20	HKED	
CC(C)Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916910755	UFNIQVVLAGRFMZ-JOCHJYFZSA-N	412.489	5.639	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(OC2CCCC2)cc1	916945989	HLTATBOOBRLDBQ-LJQANCHMSA-N	417.292	5.276	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1	916948748	XLENIFJOMAPLIH-UGSOOPFHSA-N	404.388	5.060	30	20	HKED	
Cc1ccccc1SCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917042496	FJZXDAAVRMQNHN-ZDUSSCGKSA-N	406.454	5.592	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2c2cccc(F)c2)c1=S	917485550	ABBGOXLGDWCWFW-HXUWFJFHSA-N	412.509	5.340	30	20	HKED	
N#CCCCOc1cccc(NC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1	917728505	VAUSLPBMKCIMSU-RCCKNPSSSA-N	406.482	5.749	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)ccc2c1	920102809	ZMCOCFJOQTUQSD-UBQCRTFRSA-N	408.457	5.243	30	20	HKED	
COc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC	921011580	YSXOHAOKGSJCLS-NSIKDUERSA-N	400.434	5.020	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccccc45)cc3)CCC2)C1	1788891911	AXDJHSCAOCPNTN-UHFFFAOYSA-N	410.517	5.554	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4scnc4c3)CCC2)cc1	1791250087	HQDSRUKMSRLEQM-INIZCTEOSA-N	419.550	5.256	30	20	HKED	
Cc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1	1792228998	QEKSIBAXWVMVLD-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1	1823749178	DKNIHJFYFSAOGR-WOJBJXKFSA-N	424.576	5.034	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC(C)(C)C2)CC1	1829070694	LOAGOSPIJFWISB-NRFANRHFSA-N	402.623	5.035	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2)CC1	1830017571	ZNVSPXZOTLPQOR-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1	1831373492	DNYJQKHAKFMAMZ-CYFREDJKSA-N	408.586	5.010	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccncc1	6907601	PJFSIVPQMJFBLN-JOCHJYFZSA-N	412.518	5.242	30	20	HKED	
COc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccccc2Cl)cc1	15237499	PINOUMGLMCAEBF-OAHLLOKOSA-N	423.929	5.132	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1	23011933	GUOCNECEDQNBQM-UHFFFAOYSA-N	402.479	5.199	30	20	HKED	
CSc1nc2ccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)cc2s1	27071042	URRVQEMTMZXJRL-UHFFFAOYSA-N	412.565	5.136	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	31776496	DHQXENPKQCGIBW-MRXNPFEDSA-N	406.869	5.197	30	20	HKED	
COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	71794353	SIFSMEZEWKBYCK-HNNXBMFYSA-N	403.290	5.616	30	20	HKED	
CCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)s1	71807918	WTPAAYXPDKKTQP-VMPITWQZSA-N	418.490	5.626	30	20	HKED	
C=CCn1c(SCC(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccccc1F	216507972	CINMRXKARDHITF-HXUWFJFHSA-N	424.545	5.020	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(COc2ccccc2C#N)c1	303544615	IQJZOZAIPDZREH-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1)c1ccccc1	435766466	XZVVZPZQVVWPKD-RVMZIBIISA-N	422.569	5.218	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	435772798	RGJABAFUDZPIBQ-ZDUSSCGKSA-N	423.259	5.390	30	20	HKED	
CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)[C@@H](C)c1ccc(Cl)c(Cl)c1	437383740	YCAQUBOTPJRFJI-AWEZNQCLSA-N	418.324	5.112	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437476100	UQIDAHPKMCKVOD-OAHLLOKOSA-N	420.415	5.476	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2C)c1	437813210	ZWBKZCBBZRPACX-FYYLOGMGSA-N	413.525	5.101	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCSCC2)ccc1Oc1ccc(C(F)(F)F)cc1	438522154	FGSPQFPDGBUOBH-UHFFFAOYSA-N	421.444	5.340	30	20	HKED	
COc1ccc(CSc2nnc(SCc3ccc(C#N)cc3Cl)s2)cc1	438887488	QONILQQZOVEVDW-UHFFFAOYSA-N	419.984	5.656	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)c1ccc(C(F)(F)F)cc1	441568696	RAHPXEAUWOKWMX-MRXNPFEDSA-N	419.403	5.105	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F	444912824	NIIPTVUIGQNALV-CYBMUJFWSA-N	400.681	5.322	30	20	HKED	
CC(C)c1ccc2ncc(C#N)c(N3CCC(c4nc(-c5ccccn5)no4)CC3)c2c1	447674926	IKWADZRCTPSMNE-UHFFFAOYSA-N	424.508	5.059	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2CC(F)(F)F)cc1	460458396	AAOUHELKYBDDEV-UHFFFAOYSA-N	414.358	5.847	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(Cc1ccco1)C(C)C	460964722	WBDUDXYYMQIAOT-UHFFFAOYSA-N	412.559	5.163	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cc1	461705072	RPZBDBSWNRBRDA-UHFFFAOYSA-N	410.399	5.287	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2csc(-c3ccsc3)n2)cc1F	463231233	TWLLPJBJVOBBAC-UHFFFAOYSA-N	407.495	6.287	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	463487264	SIGFSJNRFCCYJH-MRXNPFEDSA-N	421.522	5.252	30	20	HKED	
CCO[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C12CCCC2	464872257	HXZAYVOZSPRAKJ-VXKWHMMOSA-N	406.551	5.177	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(-n2cccn2)cc1	464995136	PZBURSWTCNOGJA-GOSISDBHSA-N	424.529	5.386	30	20	HKED	
N#CCCCOc1cccc(NCc2ncc(-c3cccc(Br)c3)o2)c1	467263760	ZOUOLCCEKSAYEY-UHFFFAOYSA-N	412.287	5.399	30	20	HKED	
C=CCOc1ccc(CN(C(=O)Cc2csc(-c3ccoc3)n2)C(C)(C)C)cc1	467911803	XSGOEVRHZKTIRJ-UHFFFAOYSA-N	410.539	5.338	30	20	HKED	
Cc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1Br	470053385	IRRYYTLVJLJSHX-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc3nc(-c4cccc(Cl)c4)sc3c2)CC1	470594538	GBITUIVEXIYTAI-UHFFFAOYSA-N	410.930	5.774	30	20	HKED	
C=CCn1c(SCc2nnc(Cc3ccccc3C)o2)nnc1-c1cccc(C)c1	471211358	FJBZEFFDGRCFRX-UHFFFAOYSA-N	417.538	5.014	30	20	HKED	
Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)CO2	471822774	BUFHBZFHXUCVHN-MRXNPFEDSA-N	420.456	5.443	30	20	HKED	
CSCc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F	473928709	RMNDREIPPZKHFA-QGZVFWFLSA-N	407.495	5.174	30	20	HKED	
CCOc1cc2c(cc1NC(=O)c1cccc(Oc3ccc(C#N)cc3)c1)O[C@@H](C)C2	481945924	OKEQZBPDSRZYET-INIZCTEOSA-N	414.461	5.325	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nccc2ccccc12	483204885	YADZMZIAPSVRRJ-QFIPXVFZSA-N	419.459	5.867	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nccc2ccccc12	483212542	RVFPVSDSPBIAJS-QFIPXVFZSA-N	418.452	6.050	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1	485431927	IBRGHSBBWFBACK-UHFFFAOYSA-N	423.532	5.607	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(C(C)(C)C)o2)nnc1-c1cccc(Cl)c1	489642661	YXMYILFPRVXPPT-CYBMUJFWSA-N	402.951	5.923	30	20	HKED	
CO[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(O)cc1	494334254	URYCWWJRAZQDTP-RBBKRZOGSA-N	406.869	5.027	30	20	HKED	
N#Cc1ccc(SCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1C(F)(F)F	499492280	RDQGULQZKBELLR-UHFFFAOYSA-N	419.453	5.092	30	20	HKED	
C[C@H](C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(C(F)(F)F)cc1	500237695	LTSFIYLXOCQMOD-NSHDSACASA-N	423.328	5.918	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cccc(C(F)(F)F)c1	502748407	XMMGAYLLQWJVMM-UHFFFAOYSA-N	410.395	5.859	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C(=O)NC(C)C)cc1	502795306	ZKZQEPCZRCDPEL-UHFFFAOYSA-N	413.477	5.050	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCc3ccccc3C2)cc1	503065864	BGLCILDFIWFPOX-HSZRJFAPSA-N	411.505	5.011	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)cc1	503337015	LATJZDUFVQDPPQ-LOSJGSFVSA-N	410.517	5.396	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)F)(C5)C4)CC2)cc1	503891323	KNQRBGWMPOVANA-WVKNIADZSA-N	414.471	5.323	30	20	HKED	
CC(C)c1sc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)nc1-c1ccccc1	504091590	SOABDKASRXSTAS-JOCHJYFZSA-N	413.543	5.134	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCOC)Cc1cc(Br)cs1	505016313	FQKNMWVQRRVTHF-UHFFFAOYSA-N	423.376	5.310	30	20	HKED	
COCC[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccco1	505668365	GMERFIZXVONHJK-IBGZPJMESA-N	410.857	5.105	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N1CCC(C)(C#N)CC1	506733663	TVQRLOCKZVWGAZ-UHFFFAOYSA-N	417.918	5.013	30	20	HKED	
Cc1nnc(Sc2ccc(NC(=O)c3cc(C#N)ccc3Cl)c(C)c2)s1	509193738	GVUWELGPLAXTDB-UHFFFAOYSA-N	400.916	5.084	30	20	HKED	
CCN(C(=O)CCc1nc2ccccc2n1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1	509559009	KCOMYBZVJATLRL-FQEVSTJZSA-N	422.532	5.439	30	20	HKED	
COc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	510023452	MPWXGOLKEUUYIP-QFIPXVFZSA-N	419.912	5.368	30	20	HKED	
Fc1cccc(F)c1C(F)(F)c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1	511988943	OWMJABZNKPSKJE-ZDUSSCGKSA-N	408.248	5.566	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N(C)Cc1cccc(C#N)c1	512512521	WMWXCOGWDZSINM-HNNXBMFYSA-N	408.502	5.032	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(C)c1	512762642	DMDAEHMPTPJGPZ-MRXNPFEDSA-N	417.534	5.438	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)cc1	513026542	CHWXNRZOIGPJPJ-UHFFFAOYSA-N	418.931	5.085	30	20	HKED	
COc1ccc([C@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1F	518038515	MTKQYLSZIXCYHQ-AWEZNQCLSA-N	408.404	5.128	30	20	HKED	
CCCc1nc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1	518133119	BSOUWJGAFVZTSG-AWEZNQCLSA-N	405.614	5.219	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccccc2)nc1	518140564	ZKTSURZPLGZIOP-QGZVFWFLSA-N	403.507	5.165	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc(Cl)s2)n1	518239408	BHQYJXVLMDFNJR-NSHDSACASA-N	419.984	6.172	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)CC1	519286031	SQEKHUOSNVBNET-SANMLTNESA-N	417.597	5.235	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)C2CC2)cc1	520941706	XSUHOXYRAAOFLX-QZTJIDSGSA-N	423.582	5.922	30	20	HKED	
Cc1cc(CN(C)C(=O)NCCCCC#N)cc(C)c1OCc1ccccc1Cl	522444207	JAUQIHGPBQAIAS-UHFFFAOYSA-N	413.949	5.371	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1cccc(F)c1	522718942	REOXRVICWCJDHP-HNNXBMFYSA-N	423.517	5.034	30	20	HKED	
Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	523820406	LEPOPSABQIWFLA-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2c1	527101256	QXSYWXCRPZUMCV-LBPRGKRZSA-N	411.280	5.604	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cc2ccccc2s1	527194297	UKZPXSYJSZRCIT-HZPDHXFCSA-N	409.580	5.442	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1	534688405	FQOZSGYVIBRTMS-VGSWGCGISA-N	405.929	5.754	30	20	HKED	
C=CCn1c(SCc2nccc(C)n2)nc2sc(-c3ccccc3)c(C)c2c1=O	535920631	YFOVPOVLPZSAPL-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1	536158185	PPZDZIUQKBURBB-UHFFFAOYSA-N	404.857	5.302	30	20	HKED	
C[C@@H](c1nnc(SCc2cccc(C#N)c2F)n1-c1ccccc1)N1CCCCC1	539249846	KDKAKUWVYYPXFX-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
CCC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)c(Cl)c1	539255847	REIBIZCXDWDZCZ-GOSISDBHSA-N	401.297	5.546	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	541421341	PNWWOFVBLHVWLW-UHFFFAOYSA-N	422.488	5.727	30	20	HKED	
CCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	541950259	OZOCJGXODYHGMW-CQSZACIVSA-N	405.310	5.213	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)NCCCC#N	543378502	GTAMAPBZGOOGRQ-MAUKXSAKSA-N	406.917	5.343	30	20	HKED	
COc1cc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC	543962765	ITTBPCPTSBSIJI-ROUUACIJSA-N	416.521	5.663	30	20	HKED	
C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(C1)OCc1ccccc12	549218496	VEUYKJXQZORBIQ-ATIYNZHBSA-N	414.553	5.032	30	20	HKED	
CC(C)(CCCc1ccccc1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	553540270	LBVIKGMAFAFRID-UHFFFAOYSA-N	408.517	5.116	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSc1cccc(Cl)c1	554696356	QPNCZMVXLAKSDS-UHFFFAOYSA-N	423.925	5.828	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)ccc1NC(=O)c1cccs1	557060874	CAYURMYHIRKMLL-UHFFFAOYSA-N	416.506	5.007	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CN2CCCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	558183437	SWKGOSJDLIQIBH-FQEVSTJZSA-N	421.953	5.549	30	20	HKED	
CSc1cccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C	561243735	DVGHVAPZFLQWLQ-UHFFFAOYSA-N	413.974	5.487	30	20	HKED	
CC1(C(=O)Nc2cccc3cccnc23)CCN(c2ccc(Cl)cc2C#N)CC1	563745613	UYFJQTXAUQQIKN-UHFFFAOYSA-N	404.901	5.005	30	20	HKED	
N#Cc1csc(CNCc2ccc(OCCSc3ccc(Cl)cc3)cc2)n1	564411745	YLDWVQYFWAVJAX-UHFFFAOYSA-N	415.971	5.129	30	20	HKED	
Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)sc2cc(F)ccc12	570707449	HKIXYKWJXPTYFE-UHFFFAOYSA-N	412.461	5.043	30	20	HKED	
Cc1sc(C2(N[C@@H]3CCc4ccc(C#N)cc43)CCC2)nc1-c1ccccc1F	572862297	XYXGPDHYAOJXDC-OAQYLSRUSA-N	403.526	5.786	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2cc(F)ccc2s1	592974805	ZQESIOUSNGEJJD-INIZCTEOSA-N	410.401	5.237	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	603649637	MOUZCBKZBMVLLA-UHFFFAOYSA-N	416.428	5.364	30	20	HKED	
CCCc1noc(CCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	604193512	QITFHYBBJPVHJO-UHFFFAOYSA-N	424.888	5.301	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604499714	KRKYSGMNFZWDAS-QFIPXVFZSA-N	400.482	5.751	30	20	HKED	
N#C[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1	609174356	LYPVOQKCAOVYEC-QFIPXVFZSA-N	424.422	5.208	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Br	609498436	IBRYYFBCKBJHID-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)C(C)C	609725961	PTNVDNNWPXBLHT-UHFFFAOYSA-N	411.505	5.234	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(N4CCCCC4=O)c3)c2)cc1	609986753	AZKBQNOBBJVDBL-UHFFFAOYSA-N	410.477	5.071	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	610156866	AWXLDDVNEJWOOZ-VNQPRFMTSA-N	420.456	5.722	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccc(C#N)c1	610358060	XZFKPMPKITUDGB-NYHFZMIOSA-N	407.876	5.501	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCc3c(Cl)cccc32)cc1	611411321	CSAGPDCIICJZMT-QFIPXVFZSA-N	416.908	5.654	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n[nH]1	613347077	WSIAEMRGBFLWNR-GFCCVEGCSA-N	405.310	5.453	30	20	HKED	
N#C[C@@]1(F)CCN(C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1	615539452	KVDCJZAAOCUTOU-IBGZPJMESA-N	400.866	5.086	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)cc1	619756783	BBWAVADFDYVTCN-ROUUACIJSA-N	416.378	5.360	30	20	HKED	
O=C(Nc1ccc(F)cc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642397250	QOODFWWDQNIUKR-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1	642448186	MCYMIRJJUYXHLN-UHFFFAOYSA-N	405.495	5.294	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	681000719	UNQSQGPPVQWJJP-REWPJTCUSA-N	411.590	5.304	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21	682803647	JRNNJLXPSROCJN-UHFFFAOYSA-N	423.560	6.118	30	20	HKED	
CC(=NNc1ccc(C(F)(F)F)cn1)c1sc(-c2ccc(Cl)cc2)nc1C	727648441	FNYUSJNXMBCTKT-UHFFFAOYSA-N	410.852	6.022	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc4c(c3)CCC4)cc2F)c1	728175222	MQAFTIVPPLLOAG-UHFFFAOYSA-N	417.509	5.574	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)CCN1c2ccccc2Sc2ccccc21	728871195	KWJQVACVHNYJPU-UHFFFAOYSA-N	414.534	5.017	30	20	HKED	
N#C[C@@H](NC(=O)CCSc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1	731646088	XNWKUDVHNGDTEQ-OAHLLOKOSA-N	421.469	5.178	30	20	HKED	
O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCc2[nH]c3ccc(F)cc3c21	733083881	SWXUZHFYFLTZKO-WQLSENKSSA-N	419.437	5.551	30	20	HKED	
O=C(/C=C\c1ccc(SC(F)(F)F)cc1)c1c(F)cccc1N1CCOCC1	741447439	LBIGEEPOVCSPIW-TWGQIWQCSA-N	411.420	5.170	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(SCC(F)F)cc1	741841898	IIEQXFKIALTPNO-WTKPLQERSA-N	415.383	5.441	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Br)c2C)cc1	744033665	UKQSFRROVXDTSO-SCLBCKFNSA-N	413.315	5.232	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C(F)F	744038437	UVMIISQMUVSMBV-QLFBSQMISA-N	420.246	5.718	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2ccc(Oc3ccccc3Cl)cc2)c1OC	746846735	GKEORXJJXWMABA-LJQANCHMSA-N	422.868	5.144	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)CC1=O	747198537	YWJRVTWWDKRXJX-XYJFISCASA-N	409.555	5.009	30	20	HKED	
CN(Cc1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1)C(=O)OC(C)(C)C	748610867	UGBRUUOLPSMZJY-FQEVSTJZSA-N	422.529	5.220	30	20	HKED	
CCc1oc2ccccc2c1C=NO[C@H](C)C(=O)Nc1ccccc1C(F)(F)F	749616693	RJEYMLJQKWCAOW-CYBMUJFWSA-N	404.388	5.392	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C	750596906	WHZUWHPJKVHEMJ-UHFFFAOYSA-N	414.550	5.168	30	20	HKED	
Oc1cc(Cl)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1Cl	758099597	LTFIJYPZSKUPCC-UHFFFAOYSA-N	413.717	5.118	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1ccc(Cl)nc1	761631868	IPNRLPLTNWKXAQ-UHFFFAOYSA-N	406.873	5.072	30	20	HKED	
Cc1ccc2c(Cc3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)c[nH]c2c1	761900039	MBWRXNKCVQDRJN-UHFFFAOYSA-N	407.433	5.176	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C1CC1	762935406	FZNRZBAHQLJCSO-HTAPYJJXSA-N	413.525	6.031	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1	763071587	AWUNZTDQWCVENS-UHFFFAOYSA-N	417.462	5.279	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cccc(-c3cccnc3)c2)nc(-c2ccccn2)n1	768485342	PCMVTDAFBSEMFD-UHFFFAOYSA-N	420.398	5.065	30	20	HKED	
CCCc1c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cnn1-c1cccc(C)c1	770653360	NLYGQLICFJFLJA-QGZVFWFLSA-N	403.486	5.068	30	20	HKED	
N#C[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1	772671683	JQWLSKSJMZHNAB-CVEARBPZSA-N	418.107	5.105	30	20	HKED	
CN1C(=O)CCc2cc(/C=C3\CCc4nc(-c5ccc(F)cc5)sc4C3=O)ccc21	774139281	OFXWNTCUKDAUPG-GHRIWEEISA-N	418.493	5.071	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)c(Cl)c1Cl	777113836	FNKUPYMVCOCCLN-GFCCVEGCSA-N	424.759	5.653	30	20	HKED	
CC(C)Oc1ccc([C@H]2CCC[C@H]2Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777117996	PYZUCVSDNVAKSD-JWQCQUIFSA-N	419.569	5.055	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1	780676872	SEKJGWWQLWBDCO-GOSISDBHSA-N	412.493	5.236	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1	787044816	GOXBSOPWHBSKCF-FUHWJXTLSA-N	423.925	5.053	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nccc2ccccc12	792098018	ZVLMTACGFYHFNY-GSDHBNRESA-N	418.496	5.794	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)[C@@H](C#N)c1cnc2ccccc2n1)c1ccccc1	792115152	SPNHSXREFXPOMZ-FNZWTVRRSA-N	407.473	5.189	30	20	HKED	
C[C@]12CCN(C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]1C2(F)F	794549308	VWHZYQHMBKIPAH-CLGDDFHISA-N	413.308	5.241	30	20	HKED	
Cc1cc(C(=O)OCCCC2(C#N)CCOCC2)sc1-c1cccc(Cl)c1	800159462	NBNNGCZIXQQFLZ-UHFFFAOYSA-N	403.931	5.634	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)OCCCC1(C#N)CCOCC1	800177436	GMRNFHPDCAOOPW-UHFFFAOYSA-N	409.482	5.135	30	20	HKED	
Cc1ccc(Oc2ccccc2NC(=O)COC(=O)c2cc(C#N)ccc2Cl)cc1	803832361	BITOWXWUEXWVNX-UHFFFAOYSA-N	420.852	5.108	30	20	HKED	
C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	803833882	JCCNINZDDJTUKL-SECBINFHSA-N	422.655	5.486	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)cc1	806200896	PLBSNVKOVHTPRW-GOTSBHOMSA-N	419.912	5.241	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1	808447129	NTTCGJJBUBGBTF-SPLOXXLWSA-N	424.342	5.388	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Cl)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	810555184	BKVMEJSGRZDMSW-NSHDSACASA-N	406.816	5.300	30	20	HKED	
Cc1cc(C(C)(C)C(=O)[C@H](C#N)c2nccc3ccccc23)ccc1Br	810717518	WZJRPZLNOSXHAC-GOSISDBHSA-N	407.311	5.460	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	812581827	OIWCCOLTBMJCAH-SFHVURJKSA-N	417.550	5.243	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H](F)c1ccc(C(F)(F)F)cc1	857478444	JQPVBBZJYHKHCF-CABCVRRESA-N	411.292	5.665	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@]1(c2ccccc2)C[C@@H](F)C1	883978506	PEUHZZGKDCFXOE-WSMBLCCSSA-N	411.361	5.082	30	20	HKED	
CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915084910	AJJQKZBJLVJETA-HSZRJFAPSA-N	412.493	5.124	30	20	HKED	
COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c2ccccc12	915956527	VUCTXFVQSPYUGL-UHFFFAOYSA-N	408.914	5.268	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1Cl	916057219	LTRYVSKEQKBKMN-OFNKIYASSA-N	415.880	5.127	30	20	HKED	
C=CCN(Cc1ccccc1F)Cn1nc(-c2ccccc2OC)n(CC=C)c1=S	918182044	ODCUGJACUWGJTH-UHFFFAOYSA-N	424.545	5.060	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccs3)n2)nc2sc(C)c(C)c2c1=O	6111340	FOYQSHVPFKHZQD-UHFFFAOYSA-N	415.565	5.270	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccn3)C3CC3)cc2Cl)cc1	56750749	PAYKYIAWPBWKJU-UHFFFAOYSA-N	418.884	5.595	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccccc3)cc2)cc1	104861151	JEZVPEMVXSBSLA-UHFFFAOYSA-N	400.478	5.225	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C(C)(C)C)nc3C)n2)cc1	147305684	RDTHJLXNDDLMHI-OAHLLOKOSA-N	411.552	5.371	30	20	HKED	
C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1-c1ccccc1	302640193	ORCIIWRCKNXADF-UHFFFAOYSA-N	401.539	5.226	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCc1cccc(C#N)c1	303318014	QPFYLWBJFIEBRA-AWEZNQCLSA-N	410.930	5.204	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(F)cccc2SC)cc1	409623847	JNCOMORBVPSAGB-UHFFFAOYSA-N	408.454	5.472	30	20	HKED	
CC[C@@H](Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1ccc(C#N)cc1	426315099	SRSPRWQBBOJGRN-HSZRJFAPSA-N	405.523	5.063	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(C)cc1	429114731	MQELYNJUMJTGAK-KRWDZBQOSA-N	412.415	5.037	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433129372	DFBRITZCGNHNKM-FQEVSTJZSA-N	406.530	5.536	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)cc1	433882654	ZJGVZZRKGVHMOF-OAQYLSRUSA-N	423.944	5.127	30	20	HKED	
Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)c1ccccc1	436359501	KNAAYSHLVPJFFU-UKILVPOCSA-N	423.516	5.159	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1	442215841	QEWODORWRCOVHG-KWMCUTETSA-N	410.461	5.272	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(-c2cncs2)no1	445604570	LLVWVLAEEXCKNK-UHFFFAOYSA-N	423.523	5.199	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc2c1	446762275	OSSDWPJZPDAJKC-ZDUSSCGKSA-N	408.255	5.179	30	20	HKED	
Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1Oc1ncccc1Br	447892063	TVMLUUMNJSCBOV-UHFFFAOYSA-N	412.262	5.568	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cc2ccccc12)c1cc(C(F)(F)F)ccn1	464417036	APSBMIGIAAKQST-MRXNPFEDSA-N	419.200	5.506	30	20	HKED	
C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12	464543529	AQDHHYGZKHNKEP-RXVVDRJESA-N	420.553	5.426	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)cc1	464955478	UUNTXAXIMKTYPZ-UIOOFZCWSA-N	421.500	5.049	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	466551469	OUDSDBHMSRFEJE-UHFFFAOYSA-N	424.529	5.671	30	20	HKED	
Cc1cc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)c(OC(F)F)cc1C	468781015	BIULRAZBNZEHAM-UHFFFAOYSA-N	413.468	5.100	30	20	HKED	
O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	472182623	WOOKZOQTOIYTLJ-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O	475548474	RCIQWFPUCKJMOD-HXUWFJFHSA-N	411.933	5.119	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccccc1	475583788	NCHMELMGTVGQPA-AWEZNQCLSA-N	414.943	5.369	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	476124892	YYYBHBWTMDVCHL-HXUWFJFHSA-N	408.517	5.169	30	20	HKED	
COc1ccc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl	479218419	GFXCJCFXGJVRIK-AWEZNQCLSA-N	420.987	5.615	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1	480641942	XOIHMGCZYKMLCN-FQEVSTJZSA-N	404.869	5.039	30	20	HKED	
C[C@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	481291563	CTLFCHJXTMMMEH-QWRGUYRKSA-N	422.335	5.259	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1C	481386241	HXPYAOFCPITMIP-UHFFFAOYSA-N	420.582	5.602	30	20	HKED	
C=C(C)[C@@H](NCc1csc(-c2cccc(OC)c2OC)n1)c1ccc(F)c(F)c1	481592081	JCXUFKQJHOEMAE-HXUWFJFHSA-N	416.493	5.513	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3C3CCCC3)cc2F)c1	481742761	OAYKKJHULNVVGM-QFIPXVFZSA-N	407.489	5.463	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CSc1ccc(C#N)cc1	484413571	DIEOCVWHOIBBGK-SFHVURJKSA-N	402.519	5.738	30	20	HKED	
Cc1c([C@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc2ccccc12	485004073	UTRLVFPUSVNDPW-WBVHZDCISA-N	407.539	5.282	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(CC(F)(F)F)C2CCCC2)c1	485203556	DCQHUWGLXQHAEA-UHFFFAOYSA-N	402.416	5.084	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1	485464518	LJISIPMQLJEXKO-UHFFFAOYSA-N	419.546	5.942	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccoc2Br)cc1F	485881675	JGNWFSHWFMWKLN-UHFFFAOYSA-N	401.191	5.097	30	20	HKED	
N#CCCC[C@H](NC(=O)CCCOc1ccccc1Br)c1ccccc1	487207797	IAEVDYOWCPRKQV-IBGZPJMESA-N	415.331	5.159	30	20	HKED	
CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	487498542	KQALFXYLNNCUPL-VWLOTQADSA-N	414.505	5.436	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccco1	488023717	IQVUQADTBCOOEZ-UHFFFAOYSA-N	415.522	5.075	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)C2CC2)cc1	489157390	LFXFDGJRESVNFL-UHFFFAOYSA-N	420.419	5.220	30	20	HKED	
Cn1cc(CN(Cc2cccs2)Cc2cccs2)c(-c2ccc(C#N)cc2)n1	491884236	AYRCLKYEHMQRQM-UHFFFAOYSA-N	404.564	5.284	30	20	HKED	
CCCCC[C@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	494224966	WXUDQCOFBIBNPM-KRWDZBQOSA-N	415.588	5.279	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C	496668574	DYPRJWANSHFLLB-UHFFFAOYSA-N	416.930	5.148	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1	500308628	ZJFZYHLZVOPFMI-NHCUHLMSSA-N	411.343	5.109	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	501769265	YDENQKOJSVYISU-HUUCEWRRSA-N	422.260	5.472	30	20	HKED	
N#CCCCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1	502595194	WGETZMSMFVNNKA-UHFFFAOYSA-N	407.326	5.679	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(F)cc1Cl	502647911	NLCGSWPKVISKLO-UHFFFAOYSA-N	415.665	5.601	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1	508086695	JJVVQZFVFYUHCC-KRWDZBQOSA-N	415.335	5.246	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1	509612594	ZCKFRRSFFLQVOP-INIZCTEOSA-N	408.951	5.268	30	20	HKED	
C=CCN(C(=O)c1cnn(CC)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	510219594	FXJZCOBKUJGZAX-UHFFFAOYSA-N	414.534	5.526	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)nc2ccccc21	513676795	KTRBYKKHOYSXHY-OAQYLSRUSA-N	421.456	5.389	30	20	HKED	
C=C[C@](C)(CCOC)c1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	517201990	ZNZAZFBDUPPYMU-HXUWFJFHSA-N	420.296	5.711	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(SCc2ccccc2)cc1	517518099	SLJOTHAQZAABDC-GOSISDBHSA-N	418.587	6.625	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl	518148645	YVXNCUPPJMBZLB-STQMWFEESA-N	408.354	5.684	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1	518438285	RCCIQZLFNDGFMP-UHFFFAOYSA-N	423.491	5.865	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1OC(C)C	518492168	VNVRQIJIZYNPIN-UHFFFAOYSA-N	400.478	5.485	30	20	HKED	
CCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N	518656798	YKTSOVKYMXEUQV-UHFFFAOYSA-N	423.460	5.027	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccc(C#N)cc1	519176002	NACWPJYFKFNFFP-XOBRGWDASA-N	420.513	5.259	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	520427390	HOTLHQWBQFBUJB-LLVKDONJSA-N	403.479	5.296	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Br)o1	520939117	KXTRMMBUSBGCGP-LBPRGKRZSA-N	408.321	5.100	30	20	HKED	
CC1(c2nc([C@H]3CCC(F)(F)C3)no2)CCN(c2ccc(Cl)cc2C#N)CC1	521016849	ZXGBAWJXBBEMEZ-ZDUSSCGKSA-N	406.864	5.056	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1	521510677	LIKHRTATCQAWFC-UHFFFAOYSA-N	421.516	5.051	30	20	HKED	
CC[C@](C)(NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nccs1	523495464	ACYCWXHSUYFDGL-NRFANRHFSA-N	411.914	5.516	30	20	HKED	
Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	523707843	WJQMUEPJBCXBGP-NRFANRHFSA-N	416.550	5.153	30	20	HKED	
Cc1cc(C(=O)N2CCC(C#N)CC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl	525493862	SGIBYQWQAHDXAL-HNNXBMFYSA-N	416.352	5.851	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cc2ccccc2s1	525952396	XLADDLWRFMHAFF-JKSUJKDBSA-N	409.580	5.585	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	537061498	OCBXQFGNXDCHGF-MSOLQXFVSA-N	411.571	5.015	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1cccc(Cl)c1Cl	538215135	NRAFLLDNBWJYSN-KBPBESRZSA-N	422.381	5.677	30	20	HKED	
N#CCCCOc1cccc(N[C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)c1	541565813	GYEOVKBGAKQGBD-AREMUKBSSA-N	411.480	6.258	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2sc(-c3ccccc3)nc2C)c1C#N	542402150	CNZYDEQXUVRIBR-UHFFFAOYSA-N	406.536	5.237	30	20	HKED	
COCCc1nc(C)c([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543033875	QWVPANPSQFCJPV-SJORKVTESA-N	405.567	5.591	30	20	HKED	
N#Cc1c(F)cccc1/C=C(/CC(=O)O)c1nc2cc(Br)ccc2s1	565983706	NKYBDYXVLPNCBX-WDZFZDKYSA-N	417.259	5.085	30	20	HKED	
N#Cc1ccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c(C(F)(F)F)c1	566649509	JLSTWIHAYVSYOF-OAQYLSRUSA-N	415.846	5.699	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Br)cc1	569515902	YSERHZKYUBPTIY-AWEZNQCLSA-N	422.282	5.250	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc(C(C)(C)c2ccccc2)nc1C	573870541	GZUUXRGENFQJFU-UHFFFAOYSA-N	424.566	5.081	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	574335803	WZVSLJGJRJXAHK-GAJHUEQPSA-N	407.539	5.082	30	20	HKED	
O=C(NCc1cc(F)c(C(F)(F)F)cc1F)Nc1ccccc1CC(F)(F)F	580111115	TVVLWJFEDWZNSX-UHFFFAOYSA-N	412.280	5.410	30	20	HKED	
C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCCCO2)CC1	580966046	VUJSVZBTPIWXEC-NRFANRHFSA-N	424.589	5.014	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(-c3ncc[nH]3)c2)cc1Cl	590071923	JYLYVEKLJLCLAG-IBGZPJMESA-N	413.868	5.033	30	20	HKED	
C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc(C#N)cc1	603510010	GYEPCCHJZVDBJA-QGZVFWFLSA-N	411.480	5.656	30	20	HKED	
C[C@@H](Cc1ccsc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604230560	OFQMCKXIEPXIOW-KRWDZBQOSA-N	405.523	5.146	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3cccc(Br)c3)n2)cc1	604511530	KIEQAHBWWMZZAE-IRXDYDNUSA-N	424.323	5.186	30	20	HKED	
COc1ccccc1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609062092	WYADEMDHHLJQFO-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cc2ccccc21	609175338	PLMUZOGUBADRPQ-UHFFFAOYSA-N	403.844	5.877	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nccs1	609437121	QFXLBLLOSFANEG-DNVCBOLYSA-N	408.552	5.448	30	20	HKED	
N#Cc1ccc(-n2nccc2NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1	609580925	SZNJXDHQWSSFGF-UHFFFAOYSA-N	413.289	5.518	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nccs1	610095125	BUMIZCFWPJWWRH-QFIPXVFZSA-N	424.501	5.180	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cn2)cc1	610629535	MDACFHFYATVDBB-DHIUTWEWSA-N	423.476	5.049	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCO[C@H](c3ccccc3)C2)cc1	610683713	MQFAGJVSSPYWNM-VWLOTQADSA-N	412.489	5.263	30	20	HKED	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2ccnc(C#N)c2)nnc1-c1ccco1	610954716	CQSBNOXWKLZWJJ-YEWFCNIMSA-N	405.527	5.094	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(F)c(Br)c1	614527663	QBSOICCWJLUCAM-UHFFFAOYSA-N	402.716	5.060	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1	615674973	NEYFMPYOIAQVSV-KRWDZBQOSA-N	400.494	5.080	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(F)ccc1Br	615773179	OYQARXOEADCSTC-UHFFFAOYSA-N	417.731	5.201	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	685542562	BYGQKJJJSDIWPI-STEAMIEHSA-N	420.479	5.168	30	20	HKED	
Cc1occc1-c1nn(CN(CCC#N)CCC(C)C)c(=S)n1-c1ccccc1	728901391	ICSLQIPLQIYSPQ-UHFFFAOYSA-N	409.559	5.191	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c2ccccc2)c1	730686794	POMTYOCIFXKPOO-GJZUVCINSA-N	423.516	5.693	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2ncnc3sc4c(c23)CC[C@@H](C)C4)ccc1OC	733301825	DSXOQORYOYFLMA-ZBFHGGJFSA-N	422.554	5.118	30	20	HKED	
COC(=O)[C@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccc(C#N)cc1	739990164	OJXJKAXLTBCVOX-WAIKUNEKSA-N	404.441	5.055	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)n1	740536827	WZBFQRCZUAJEQL-FQEVSTJZSA-N	411.486	5.233	30	20	HKED	
COc1ccccc1-c1ccc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)cc1	741468850	MTBXOTIPTXMZPF-JCMHNJIXSA-N	414.530	5.871	30	20	HKED	
CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	745550557	YFUHAIRLZFJGHI-VGSWGCGISA-N	410.539	5.002	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCc3ccc(C)cc3)n2)cc1	746416474	JWJJDMJTVIYKEZ-OAQYLSRUSA-N	404.535	5.716	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)COc2ccccc2OCc2ccccc2)n1	747197511	GLVUVVJTZMLATF-GOSISDBHSA-N	406.507	5.101	30	20	HKED	
COc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	748562147	LGSJKVALWMJXNM-SFHVURJKSA-N	424.501	5.209	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(Cc2cccc(Cl)c2)C(C)C)cc1C#N	752305867	RNHUAIDUICTKSD-UHFFFAOYSA-N	414.893	5.223	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	755379214	ONJXDFCVJQYNCA-AWEZNQCLSA-N	409.232	5.316	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	756644632	LEIVAILCKWNIMK-GJZGRUSLSA-N	412.584	5.054	30	20	HKED	
C=C[C@H](CC(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1	758920181	LOGLWLGOKOPRKN-GOSISDBHSA-N	420.534	5.036	30	20	HKED	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1	759232562	STXSMGRKCJQSAV-YWZLYKJASA-N	422.525	5.017	30	20	HKED	
Cc1noc(C)c1COc1ccccc1C(=O)OCc1ccccc1C(C)(C)C#N	767975341	DQMPFOFGERTYMC-UHFFFAOYSA-N	404.466	5.029	30	20	HKED	
Cc1ccc([C@H](O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	770217267	JMVHQOBSNZMJMU-FYYLOGMGSA-N	419.912	5.159	30	20	HKED	
FC(F)(F)COc1ccc(NCc2nccn2CC(F)(F)F)cc1C(F)(F)F	770579051	ORVXUVHECBUUAN-UHFFFAOYSA-N	421.263	5.017	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1NC(=O)OC(C)(C)C	772655395	XRAQAVVWAQYJHO-MRXNPFEDSA-N	404.470	5.017	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	773982333	FUPOCWHEOMHNRL-WBMJQRKESA-N	401.318	6.097	30	20	HKED	
CC(=O)c1cc(F)cc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1O	780392065	IUZZOSFJLDEWGW-INIZCTEOSA-N	409.301	5.146	30	20	HKED	
N#CCOc1ccc(CN[C@@H](c2ccc(Br)cc2Cl)C2CC2)cc1	783244622	NEBGVVZJYWJIGN-LJQANCHMSA-N	405.723	5.246	30	20	HKED	
CN(C(=O)c1nc(Cl)ccc1F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783533081	NKHMJQLGNACJKK-CYBMUJFWSA-N	414.708	5.269	30	20	HKED	
C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN2CCC[C@@](C)(C#N)C2)c1=S	784012612	IJNQAXRUMZPKDE-DVECYGJZSA-N	417.582	5.274	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(C(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	790771763	DCCGWVNSSZSNDJ-ZDUSSCGKSA-N	410.367	5.672	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	792092346	AXENZQLFGLMERI-IBGZPJMESA-N	418.859	5.071	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1nccc2ccccc12	792095208	VBZMJXXRZDLHLS-RUZDIDTESA-N	422.484	5.112	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1cnc2ccccc2n1	792108882	DIYHYJGRRVFKGN-AAEUAGOBSA-N	402.306	5.294	30	20	HKED	
CC(C)O[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	796805734	APVWKUYCIBGSIA-QVKFZJNVSA-N	412.461	5.431	30	20	HKED	
COc1cc(C(C)=NNc2ncnc(Cl)c2C(C)C)ccc1SC(F)F	797404312	LNPMRYRWLCQZSN-UHFFFAOYSA-N	400.882	5.413	30	20	HKED	
CCOc1c(Br)cc(/C=C/C(=O)c2cnn(C3CCCC3)c2)cc1OC	799898334	TVWVNRRGLCCCFK-CMDGGOBGSA-N	419.319	5.064	30	20	HKED	
Cc1cc(Cl)nc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	800525214	SXSDBCCOAFXXIH-UHFFFAOYSA-N	420.900	5.010	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2ccccc2n1C(F)F	915106821	GRZCEEUETSUHEY-AWEZNQCLSA-N	424.476	5.630	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC	916128218	OVIZYKUYBAIABF-QPJJXVBHSA-N	411.242	5.421	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(Cl)c(Cl)c1)CCCCC3	916272707	IVSHUEFVTNSAQE-UHFFFAOYSA-N	406.338	5.224	30	20	HKED	
COc1cccc2cc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)oc12	916309898	NZXXUEOCPLXGET-UHFFFAOYSA-N	415.474	5.070	30	20	HKED	
Cc1cccc(CSCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916976482	PIMXNVMYNVULGS-SFHVURJKSA-N	412.967	5.882	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920139104	NFAPOICEHCZTKM-KUHUBIRLSA-N	424.547	5.184	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(OC(C)C)c3)n2)cc1	921136382	GUXFSUXHTMXMQD-FQEVSTJZSA-N	406.507	5.025	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)n1	921252251	FYHMKMUEAVKFIM-UYAOXDASSA-N	412.967	5.804	30	20	HKED	
CCCCC1CCC(c2cc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)n[nH]2)CC1	1639453914	SFAFFXYDEMILPO-UHFFFAOYSA-N	423.561	5.034	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3)CCC2)cc1	1789624083	HZXHILYWRIDRCR-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(F)CCCCC2)n[nH]1	1818877304	GDMXIBMOWDLSHF-SFHVURJKSA-N	418.557	5.067	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1	25187448	NIVGJTUKYYPQOE-UHFFFAOYSA-N	421.544	5.282	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](C)c4ccc(C#N)cc4)cc3)o2)c1	26128434	YXRHENLWYIUWHX-QGZVFWFLSA-N	408.461	5.075	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c(C)n1Cc1ccccn1	32962855	LAYJBVDJBVKRLA-UHFFFAOYSA-N	411.530	5.262	30	20	HKED	
CCCCCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)cc1OC	46827672	BKDNGYJPNLJPRB-GOSISDBHSA-N	409.530	5.038	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1C	56037075	IBRPSVISYMLGHU-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)coc2c1C	59799136	AWWPMTDZMOCZHR-UHFFFAOYSA-N	424.500	5.876	30	20	HKED	
CC(C)n1cc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccs2)cn1	214919623	VPDUHKWCZFCHMR-KHPPLWFESA-N	402.523	5.333	30	20	HKED	
C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNCc2cccc(OCCCC#N)c2)C1	237686240	MZMUJZUENFTHQN-SZPZYZBQSA-N	405.586	5.137	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1[C@@H](C)c1ccccc1	303398954	ZPDZALMIQOSVEM-OALUTQOASA-N	417.578	6.361	30	20	HKED	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	429358516	VCHYCXQTSXUJHK-QFIPXVFZSA-N	415.493	5.156	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3ccncc3)CC2)cc1	430518563	DXZDXPZWLWQZMQ-UHFFFAOYSA-N	413.546	5.265	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccc1NC(=O)c1cccs1	430627392	NBSPZMMRDCPGRJ-OAHLLOKOSA-N	423.563	5.553	30	20	HKED	
Cc1c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)sc2ccc(C#N)cc12	431834240	BUDYTDLRFCHYNW-UHFFFAOYSA-N	423.925	5.223	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cc([C@@H]2CCCO2)nn1C)c1ccc(C(F)(F)F)cc1	433440251	RKRHUVQNXTUQDZ-WMZOPIPTSA-N	422.451	5.119	30	20	HKED	
CS[C@@H]1CCCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	435668311	XHMYYQGGTHSYRH-OAQYLSRUSA-N	409.555	5.081	30	20	HKED	
CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	436097531	CHAOVPVVVKYJGI-JOCHJYFZSA-N	417.896	5.515	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	438072612	BOYYXYNJIOTVAG-WOJBJXKFSA-N	422.598	5.067	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1F	438673604	UTGCVCGKZXBMHY-GOSISDBHSA-N	405.454	5.458	30	20	HKED	
N#CCC[C@H](NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1	438831742	AIFLPSZFVVUWIU-QFIPXVFZSA-N	405.448	5.398	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cc(F)c(Br)cc1Cl	439635137	RSVQXXZQBKGFGO-UHFFFAOYSA-N	401.663	5.097	30	20	HKED	
C[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1	441262309	PROWUFBAZKJAEJ-FZKQIMNGSA-N	407.461	5.050	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	442669138	GDAYHXQPCYZQNV-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1	443852544	QQVQEWMPNMTPHN-XMMPIXPASA-N	424.500	5.015	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(N2CCCC2)c1	446852980	RZLKKWZSBBAMBP-MSOLQXFVSA-N	408.571	5.421	30	20	HKED	
CCN(C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12)c1ccc(C#N)cc1	461546596	QMZNYCDBDHSNNQ-UHFFFAOYSA-N	423.516	5.701	30	20	HKED	
C=CCN(C(=O)c1ccc(OC)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	463293561	KSRXJARNUDPIPQ-UHFFFAOYSA-N	420.321	5.353	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1	464971518	HXQZJPVYZKCLKL-DHLKQENFSA-N	412.489	5.167	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc3oc(C4CC4)nc3c2)c1	467398991	MNVBJUUCHKOHNR-KRWDZBQOSA-N	402.498	5.069	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2)o1	468539419	CQDYQVZQCXNJJZ-MRXNPFEDSA-N	420.538	5.382	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1	471354164	RLGHXAAROZFBDA-UHFFFAOYSA-N	400.544	5.243	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1	472908565	UAJXOQIWGBROIY-UHFFFAOYSA-N	405.473	5.062	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cc2cccc(F)c2o1	475702507	OTVGXQRVHGFWPR-LSDHHAIUSA-N	411.502	5.255	30	20	HKED	
CC1(C)CN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[C@H]1C(F)(F)F	479735529	UQZFPSHYTYOYCM-UONOGXRCSA-N	414.365	5.439	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc(C2CC2)cs1	482922338	OESOAKNSRLECIL-UHFFFAOYSA-N	404.495	5.315	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](CC(F)(F)F)c3ccccc3)c2)cc1	483418041	SHCNLHQHBVQOTE-OAQYLSRUSA-N	410.395	5.774	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2)nc1-c1ccccc1	483856835	ZPVORPJACMCJIN-OAQYLSRUSA-N	414.509	5.900	30	20	HKED	
COc1cc(CN[C@H]2CCCc3c(O)cccc32)ccc1OCc1cccc(C#N)c1	484308822	FPSCVUZWVDSJBY-QHCPKHFHSA-N	414.505	5.019	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl	486231022	KGRWYAKFFSSQEH-UHFFFAOYSA-N	414.958	5.497	30	20	HKED	
C=CCn1cccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	488789160	YXGUGFAAZNBKAG-UHFFFAOYSA-N	404.857	5.315	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccncc1	489428932	CZWRWOQHKFEZTE-NXTQRVMMSA-N	422.598	5.182	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1	489683474	SBEBPNKGJYMPMW-LJQANCHMSA-N	418.497	5.261	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(C(F)(F)F)c1	499555097	FPXCPUCDSOCEDF-ZIAGYGMSSA-N	422.472	5.874	30	20	HKED	
N#CC1(CCCN[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CCOCC1	499620518	UCXLCQFNIIWYAA-OAQYLSRUSA-N	403.353	5.773	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCCOc3ccc(F)cc3)c2)cc1	501438265	SDWXYFHPZJAZQF-UHFFFAOYSA-N	418.468	5.268	30	20	HKED	
C=C[C@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)c1ccccc1	501824857	IJGDPVUQELHMEE-KNQAVFIVSA-N	401.510	5.540	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3cccc(Cl)c3n2)c1	505446556	UMTXXYXRDLKQSI-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505778691	WSDBKKVRRDNRDG-GFCCVEGCSA-N	424.259	5.641	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1	510988087	UJIADZDWAHFKOX-HSZRJFAPSA-N	403.526	5.178	30	20	HKED	
C=CCOc1cccc(NC(=O)c2c(C)nc(-c3ccc(F)cc3)nc2SC)c1	511318509	CQOFSWUEBIUXAQ-UHFFFAOYSA-N	409.486	5.130	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	513852767	MJUUEXLKKYHRED-INIZCTEOSA-N	403.482	5.069	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(CC#N)cc2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	514343539	KHRVPFMSXUEGIV-UTYWTXRGSA-N	422.598	5.294	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1	514843044	IUDPLUGBXQDCCT-UHFFFAOYSA-N	417.534	5.112	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	515218104	HXJWOBIPZGKVAH-OAQYLSRUSA-N	402.523	5.283	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1	518840881	KAHXFTQVHCHHSF-SANMLTNESA-N	405.501	5.642	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)c(Cl)c1	519419847	PXLPCKBMTDTRFQ-UONOGXRCSA-N	422.978	6.164	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	520196071	WSPVHWALPZUOSM-PGRDOPGGSA-N	423.582	6.239	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCCOc1cccc(Br)c1	520807642	LLUAMPZXEKXWAB-UHFFFAOYSA-N	419.344	5.253	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1	521716518	MBCSIHKTTKWFRV-UHFFFAOYSA-N	419.481	5.336	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1	521811871	XMSUYGZEVSVLRT-MFMILTCTSA-N	413.518	5.262	30	20	HKED	
C=CCOc1ccc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1Cl	521825972	ATQUORKIQKCYKB-QHCPKHFHSA-N	406.913	5.374	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)c2)cc1	522531552	UUIIELAJVBVUFE-NHCUHLMSSA-N	418.443	5.352	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccccc2OC(F)F)cc1	522815667	SVGDNUMFFMQTCH-UHFFFAOYSA-N	422.431	5.114	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1	524380795	YODUPWMJEDSXRK-RTBURBONSA-N	400.478	5.413	30	20	HKED	
CCOc1ccc(-c2nc(CSc3ccc(C#N)cc3F)cs2)cc1OC	524986712	FETYXYKACIUIPN-UHFFFAOYSA-N	400.500	5.520	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	525043720	IMXCCFXXQYKDRX-MSOLQXFVSA-N	405.404	5.074	30	20	HKED	
CSc1cccc([C@@H](NC(=O)Cc2cccc(C#N)c2)c2cc(F)ccc2F)c1	531157524	VQRCXCKRQBAMEJ-HSZRJFAPSA-N	408.473	5.007	30	20	HKED	
C[C@H](NCc1csc(-c2ccsc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541991862	DCURJNQGCYXGOE-INIZCTEOSA-N	401.560	6.261	30	20	HKED	
C[C@]1(CCCO)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	544534761	MRRFNDMDVYNEEV-NZQKXSOJSA-N	411.933	5.154	30	20	HKED	
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccccc1-c1ccccc1C#N	545963040	IEKXVQHNIGRUOS-UHFFFAOYSA-N	412.880	5.625	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1	552446454	GNTDJSNCLDAKBO-UHFFFAOYSA-N	423.472	5.051	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ncc(-c4ccccn4)s3)cc2)cc1	552767695	ZQENYTBYFORKMJ-UHFFFAOYSA-N	412.474	5.316	30	20	HKED	
N#Cc1cccc(-c2nnc(CS[C@H](c3ccccc3)c3ccc(F)cc3)o2)c1	569507706	MHTQBHCHKLTGNT-JOCHJYFZSA-N	401.466	5.770	30	20	HKED	
CC(C)(C#N)c1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	585755114	VUBXDDLINGSOQF-JOCHJYFZSA-N	416.487	5.764	30	20	HKED	
N#Cc1c(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc2cc(Cl)ccn12	587165228	YPMAIESHVIBDIX-IUCAKERBSA-N	410.749	5.181	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc(C)nc21	587988861	ZUNPWEUGCUQMAO-WFASDCNBSA-N	423.929	5.464	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cc2)cs1	603529817	JZXASMCBASYZMJ-UHFFFAOYSA-N	421.591	5.918	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)c4ccccc4-c4ccccc4C#N)CC3)c[nH]c2c1	603674520	JSFWKXFQFDUSSJ-UHFFFAOYSA-N	417.512	5.945	30	20	HKED	
N#Cc1c(SCc2nnc(-c3ccccc3)o2)nc2c(c1-c1ccco1)CCC2	603818318	AMHFPNWTZUMQHU-UHFFFAOYSA-N	400.463	5.044	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)C(F)(F)F)cn2)c1	603822016	CSZPILIAZBPASN-LJQANCHMSA-N	412.371	5.171	30	20	HKED	
Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)sc2nc(C(F)(F)F)ccc12	603972349	SHINRSMREPIMSQ-UHFFFAOYSA-N	419.428	5.558	30	20	HKED	
COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2-c2ccccc2)cc1	603987311	MPTNEEDFODUIEC-JOCHJYFZSA-N	412.518	5.170	30	20	HKED	
Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)oc2ccc(F)cc12	603995648	QYLHSIOMZXTDOE-UHFFFAOYSA-N	413.408	5.257	30	20	HKED	
C=CCN(C(=O)c1cc(Br)sc1Br)c1ccccc1	604843381	PLLFAAXZVXZTOT-UHFFFAOYSA-N	401.123	5.106	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nn(-c2ccccc2)c1C	608876057	BKLRPNVOWMEZCV-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
Cc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2	609296618	PNVKPAYQLFTAJY-RUZDIDTESA-N	411.505	5.449	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cn1	609370767	XARCKILHHKDIAA-LBPRGKRZSA-N	411.474	5.083	30	20	HKED	
C=CCN(C(=O)c1ccc(C#N)nc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	609640830	ZFDCFRFSVGWOSX-UHFFFAOYSA-N	422.513	5.577	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1C(F)(F)F	610331012	JENVVUWOUKLZBX-AWEZNQCLSA-N	414.387	5.130	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cn2)cc1	610629537	MDACFHFYATVDBB-PKTZIBPZSA-N	423.476	5.049	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)c1C	611163049	AQGIGSKDABVZHD-GOSISDBHSA-N	415.493	5.337	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1Cl	611803002	GSQOOCNTPOVAIG-SFHVURJKSA-N	417.896	5.104	30	20	HKED	
CCCc1c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cnn1-c1cccc(F)c1	612379753	MFPYZLDBFKXZCS-UHFFFAOYSA-N	417.271	5.395	30	20	HKED	
N#Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1Cl	614620327	SYHPZDLHAJECCB-UHFFFAOYSA-N	407.926	5.355	30	20	HKED	
N#CCCCn1cc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c2ccccc21	618183325	XRWDZPYXULENCJ-UHFFFAOYSA-N	410.477	5.062	30	20	HKED	
CCN(C(=O)CCOCC(F)(F)C(F)(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1	622333783	LVSXRZAMPCOPOJ-NSHDSACASA-N	421.328	5.219	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nc2ccccc2[nH]1	673812461	ZSSWCENTLVRCFY-ZDUSSCGKSA-N	412.396	5.195	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1	674458252	BXWOMECKQDGLBB-GASCZTMLSA-N	411.361	5.227	30	20	HKED	
CC[C@H](C)c1ccc(-c2cc(C(=O)[C@H](C#N)c3ccncn3)c3ccccc3n2)cc1	680617514	SQBWNTXQJJHONS-HTAPYJJXSA-N	406.489	5.695	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4cc(Cl)ccc34)n2)cc1	727955882	WXDASAYYGVBLCA-SFHVURJKSA-N	416.893	5.235	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ccc(F)cc1F	728062163	GVWBCTDOGIKBGK-MRXNPFEDSA-N	421.447	5.163	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1	729553935	WQCVEBSMGQNQBT-LJQANCHMSA-N	404.539	5.418	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c2ccccc21	731277866	SQERXHVCIDNOOA-XZOQPEGZSA-N	422.484	5.238	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	731317331	DBHWLGASEZTUNT-UHFFFAOYSA-N	403.507	5.947	30	20	HKED	
N#Cc1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C(F)(F)F	731478742	PPIOYIRAJJBPDU-UHFFFAOYSA-N	411.374	5.259	30	20	HKED	
N#C[C@@H](NC(=O)CCSc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1	731643072	CCFRGSCLMGVJCM-OAHLLOKOSA-N	422.362	5.466	30	20	HKED	
CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3OC)cc2)cc1	741466738	CJEPXDWOQATCQC-YVLHZVERSA-N	421.518	5.020	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C	741641044	BGRNYSJOBBXNGZ-UHFFFAOYSA-N	408.376	5.027	30	20	HKED	
Cc1ccc(-c2ncc(/C=C/C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)s2)cc1	741843311	FDYKNLLSFIJYJK-VAWYXSNFSA-N	410.502	5.380	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	743034825	CRPUUOZSUGSTBU-UHFFFAOYSA-N	421.497	6.086	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccccc3C(F)(F)F)n2)cc1	744036362	ZUXRFEYAMPBPQA-WMLDXEAASA-N	414.452	6.117	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Br)c(Cl)c2)c1	746161132	CSSWNRHIKHQJQH-CQSZACIVSA-N	422.710	5.105	30	20	HKED	
CN(C(=O)Cc1ccc(OCC#N)cc1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	748758006	XOPMLCYHKDVOCV-DEOSSOPVSA-N	422.887	5.172	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(s1)-c1ccccc1CC2	749361312	YOTAPZULVCHBQX-UHFFFAOYSA-N	409.514	5.263	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	750679614	CPKTUHLNTKKBJO-KSSFIOAISA-N	417.921	5.793	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)nc1	752684535	BKVMTUARZPSZHP-DHIUTWEWSA-N	412.493	5.486	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cnc(-c2ccccn2)s1	753144542	MVJWVGNGRWANMI-MDZDMXLPSA-N	407.495	5.672	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)C1CCCCC1	756500372	HMHXLCKDACODIJ-UHFFFAOYSA-N	409.599	5.521	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1cc(Br)cc(Cl)c1O	756820917	STCDHXHLNZUWMI-GFCCVEGCSA-N	409.711	5.664	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1C1CC1	763190027	YCOKQDCOLOMSDU-HNNXBMFYSA-N	401.514	5.263	30	20	HKED	
Cc1nc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)oc1-c1ccc(Cl)cc1	763921464	VIACCSKXMGIROK-LSDHHAIUSA-N	410.857	5.247	30	20	HKED	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3ccccc3SCCC#N)cc2C1	769453583	CIJOYEDQPGYLNH-UHFFFAOYSA-N	423.538	5.195	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1cc(Cl)ccc1C#N	769697932	HPPCQVUGWNQCOW-UHFFFAOYSA-N	415.305	5.083	30	20	HKED	
COc1ccc(SC)c(OC)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	775658779	RYFFTGSQXXBDMT-LJQANCHMSA-N	418.518	5.333	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2csc(-c3ccc(Cl)cc3)n2)c2ncc[nH]2)c1	787169967	RDVOBSKGDHOWOX-UNOMPAQXSA-N	421.909	5.619	30	20	HKED	
CSc1ccc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccncc2)c(Cl)c1	788355176	PLQGUIADUOPJAK-ZZXKWVIFSA-N	408.914	5.130	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1c(Cl)cccc1Cl	790965153	GHUCCHIBCTXBQL-LLVKDONJSA-N	408.594	5.055	30	20	HKED	
CC(C)O[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	796757350	WOTFAALLNHITPU-HNAYVOBHSA-N	418.440	5.658	30	20	HKED	
Cc1cc(Cl)nc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	800575458	VNAGENCVHKRBSY-UHFFFAOYSA-N	407.926	5.137	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)n1	802031472	FKZLUEYPEIPLBR-MJGOQNOKSA-N	417.317	5.755	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1	803923625	UMCHCAONTDEFLD-UHFFFAOYSA-N	422.500	5.158	30	20	HKED	
O=C(Nc1cc(Br)c(F)cc1F)c1cc(F)c(C(F)(F)F)cc1F	804609710	LGMLELDJYHSSIX-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nccn1-c1ccccc1	806201111	UJYFYGXHAAOZOJ-NTKDMRAZSA-N	421.504	5.410	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](O)c1ccccc1	808818294	VCVKMFPEUCDFHH-YROCYRMSSA-N	419.912	5.239	30	20	HKED	
COc1cc(CNc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)ccc1C#N	864006886	OEODTTNBXBNRAV-UHFFFAOYSA-N	405.885	5.109	30	20	HKED	
Cc1ccc(NC(=O)Cc2noc(-c3ccc(Oc4ccc(C#N)cc4C)cc3)n2)cc1	904251970	WAMOLFYSCLHLNV-UHFFFAOYSA-N	424.460	5.199	30	20	HKED	
Clc1ccc(CNN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1	914696331	BSHWRRNFJOMWHL-UHFFFAOYSA-N	422.319	5.365	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1	915087624	VXSISPPNVGCRDO-QFIPXVFZSA-N	406.938	5.867	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cn2)c1	915175168	OLPUCRFPSKJWTR-UHFFFAOYSA-N	419.531	5.476	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353196	RKQXQNBNJYTTIZ-FQEVSTJZSA-N	409.942	6.111	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)NC1CCCCC1	916895955	YGOCVMRGEOKABC-KSEUIEODSA-N	412.942	5.239	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1C1CCCCC1	916939646	PVFXPMQPHKORTF-SFHVURJKSA-N	415.896	5.364	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	920104226	MWQGYJVXKMNZTM-DYESRHJHSA-N	423.472	5.217	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920141496	PHPWEBIHAXNLLQ-LJQANCHMSA-N	424.485	5.064	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c(O)n[nH]c2-c2ccccc2)cc1	1159367228	XYKOLHXEDGAGSE-UHFFFAOYSA-N	410.433	5.007	30	20	HKED	
CC[C@H](OC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1c(Cl)cccc1Cl	1355413204	RTTCPFLTCDVITO-KRWDZBQOSA-N	407.297	5.210	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)CCC1	1786923247	JEUZEOIZMUHEPI-MDWZMJQESA-N	417.553	5.221	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1)c1ccccc1	1791339487	IKCDVUGBSXAISD-LJQANCHMSA-N	415.537	5.008	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C	1801829679	SISDXQLXFKMVIE-CIAFKFPVSA-N	402.623	5.390	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1829066612	MGXFXZWJEFCNPI-DHIUTWEWSA-N	414.634	5.345	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)C1	1831560295	WJFWFAGRNVTJSM-KIFXHHALSA-N	414.634	5.179	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(O)c2)c(C)c1	10168544	BNYZGNNYYACLPY-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)(C)C#N)cc3)n2)cc1	29153353	VCLMSCXDXASQFS-UHFFFAOYSA-N	402.498	5.232	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	32288847	IDRNJNXAXWYYDK-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(C)cc3)o2)nnc1-c1ccc(OC)cc1	41647417	GJUFKXHACVTADM-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
CC1=NN(c2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)CC1	64715330	NAMAVYUIRJXYGP-INIZCTEOSA-N	422.460	5.164	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1	105567433	GAOAXCNYMBCGSD-UHFFFAOYSA-N	400.459	5.398	30	20	HKED	
N#Cc1ccccc1NC(=O)CCN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	110454131	SRZRWRHFMOMVPN-HXUWFJFHSA-N	401.432	5.133	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1Cl	302967010	RIKGMENHJCUUDZ-HNNXBMFYSA-N	421.736	6.616	30	20	HKED	
Cc1cc(Br)cnc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	430082985	GRCWOJFBTJOTNO-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(COc3cccc(C#N)c3)c2)s1	430648075	YWCISZSPIPXAHS-HXUWFJFHSA-N	415.518	5.381	30	20	HKED	
CCc1nc2cc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)ccc2n1C1CC1	431309848	AUKNKAUZJSBHFG-OAQYLSRUSA-N	415.541	5.168	30	20	HKED	
CCC(CC)n1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1	432161164	DVOGRVUBVYBLTN-CYBMUJFWSA-N	400.454	5.136	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Cl)c(Br)c1)c1ccccc1	433020850	UUOIDHFTOXNCPY-KRWDZBQOSA-N	406.711	5.659	30	20	HKED	
N#CC(CCSc1nnc(C2CC2)n1C1CC1)(c1ccccc1)c1ccccc1	434641995	BQFCTMVFDBYROE-UHFFFAOYSA-N	400.551	5.482	30	20	HKED	
CC(C)(C#N)CCCC[S@](=O)Cc1cc(Br)ccc1OC(F)F	436103081	MVKZJBLILNGEGF-QHCPKHFHSA-N	408.308	5.019	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1sc(-c2ccccc2Br)nc1C	436296734	KUISAIVKGHCMJQ-JOQOYGCGSA-N	421.404	5.513	30	20	HKED	
O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436459578	RFICRMTZVLRNTJ-RHYVWVDMSA-N	405.741	5.567	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1F	437456925	BYJPHNOXRDWUEK-SFHVURJKSA-N	404.466	5.708	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCC(C)C	438848705	QCQVNSYOOYVZQI-GHTZIAJQSA-N	409.530	5.135	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cc(C#N)oc1C	439081109	XCHZXHHZSNGHMA-UHFFFAOYSA-N	416.456	5.757	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)c1ccccc1	440242375	NYGVDJVUERNUFL-HSZRJFAPSA-N	403.526	5.121	30	20	HKED	
N#CC1CCC(CNC(=O)NCc2ccccc2COc2ccccc2Cl)CC1	441026102	SNPISHJMWUNJQG-UHFFFAOYSA-N	411.933	5.048	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(C(C)C)c(O)cc2C)cc1	443579060	HESYPWNEWVKCNZ-UHFFFAOYSA-N	407.514	5.282	30	20	HKED	
CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cn(CCCC#N)c3ccccc23)CC1	444291869	QSBXDOJFSRUXRT-XVAXZDLZSA-N	407.558	5.145	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cnn1C1CCCC1	444497663	VISHNPGLBCJLCP-UHFFFAOYSA-N	420.900	5.876	30	20	HKED	
CC(C)[C@@H](NC(=O)CS[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2	447053249	AELOPMZWPRLMBS-MZNJEOGPSA-N	424.566	5.027	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OC(F)F)c2)cc1	460496506	QQVISHAORXGHNA-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)c2ccccc12	462205535	FSXAMIZBHCNOSI-OAHLLOKOSA-N	408.933	5.030	30	20	HKED	
CC[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1c(C)nn(C)c1C	464412974	WZKUWRQXTPKPJE-FQEVSTJZSA-N	422.916	5.235	30	20	HKED	
CCO[C@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)C1=CCCC1	465127838	HBOOYPZHEOHJFN-XMMPIXPASA-N	406.501	5.445	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)o1	466844230	HFBRRZIFAUHXFX-JOCHJYFZSA-N	416.477	5.376	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)co2)cc1	467704068	AUVGLDZRRCBREO-MRXNPFEDSA-N	406.511	5.366	30	20	HKED	
Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(OC[C@@H]2CCCO2)c1	469018349	QRPSNXARYPKNHX-IBGZPJMESA-N	417.509	5.064	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2c(C(F)F)nn(C)c2s1	470888621	NLNMXVQQFZOLKG-JTQLQIEISA-N	406.483	5.076	30	20	HKED	
Cc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nn1C(F)F	474257902	GYZNXHJZRBAJPH-GFCCVEGCSA-N	415.284	5.029	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	474901703	VNUGZZQIPMSSCW-UHFFFAOYSA-N	415.371	5.024	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1	476124028	RUGXJJIRLVGVLF-INIZCTEOSA-N	414.546	5.377	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1)c1ccc(F)c(F)c1	477725008	IGCHSOUTUHCGIT-DJJJIMSYSA-N	401.482	5.594	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C	480830266	SWLJQVHBVAITIG-BEFAXECRSA-N	417.431	5.854	30	20	HKED	
Cc1ccccc1N(C(=O)C[C@@H](CC#N)c1ccccc1)c1nc2ccccc2s1	483073785	CPEDJEZSKLRSHE-HXUWFJFHSA-N	411.530	6.357	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCc1ccccc1Cl)c1cnc2ccccc2n1	483226380	AQDMORWIDUGVJK-SFHVURJKSA-N	413.864	5.352	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1	483846571	FRQPSAMNHNKYHH-GOSISDBHSA-N	405.445	5.093	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	484251004	GCTQVBZJGMZVTN-GKMQDUGLSA-N	424.429	5.117	30	20	HKED	
C[C@H](c1nnc(SCc2ccccc2C(C)(C)C#N)n1-c1ccc(F)cc1)N(C)C	487462827	LUMACVJMOAUYMB-MRXNPFEDSA-N	423.561	5.122	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nc2ccccc2[nH]1	487867678	CPUGVVGVWYNKOX-SFHVURJKSA-N	414.446	5.112	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nnc(C3CC3)n2-c2ccccc2)c1	492241426	PWEROCYTZRCJBR-UHFFFAOYSA-N	411.328	5.071	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	493466037	PPYSQJVNMQUSFG-GIPNMCIBSA-N	419.312	5.376	30	20	HKED	
CCC(C)(C)OCc1cccc(NCC(=O)Nc2ccccc2SCC#N)c1C	495072995	GUTSWERUJIRHDL-UHFFFAOYSA-N	411.571	5.367	30	20	HKED	
CCN(CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)[C@H](C)c1ccc(C#N)cc1	497617957	JZWJQQGMIDRBNE-OSPHWJPCSA-N	421.541	5.048	30	20	HKED	
N#Cc1cc(C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)cnc1C(F)(F)F	499054188	IRNULJBKMYRDCT-XITLMJRVSA-N	405.445	5.132	30	20	HKED	
C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1	500817362	KQEYLNOGMKAZIU-SBHAEUEKSA-N	419.594	5.187	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2C(F)F)cc1Cl	502170107	KZVFUOWURYQHIG-PKOBYXMFSA-N	403.860	5.647	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1	502371400	DCEGYAJOIPZZFH-UHFFFAOYSA-N	407.470	5.445	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2COc2ccccc2)cc1	502638941	ZWZIDFHCDHDNTO-UHFFFAOYSA-N	416.481	5.217	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)o1	509552712	KXUNNACIKFUYII-UHFFFAOYSA-N	405.523	5.242	30	20	HKED	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	510620452	VAAXGTKJEFIHSP-VWLOTQADSA-N	411.505	5.449	30	20	HKED	
CCOCc1ccccc1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510676329	XMVOOJBGMUFYAH-UHFFFAOYSA-N	401.466	5.209	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1	510694675	ZIVUWDXSSNNIGL-SFHVURJKSA-N	417.509	5.438	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1	510887248	MBWIBCOTXDTWAL-INIZCTEOSA-N	421.447	6.162	30	20	HKED	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(OCc2ccccc2C#N)cc1	510898939	CQLUXDPBXKMWKN-MRXNPFEDSA-N	404.432	5.186	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(C(F)(F)F)c1	511817733	PXONECOQPRSYHQ-AWEZNQCLSA-N	414.383	5.240	30	20	HKED	
CCOc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC	512523706	MIIZDEABGMDFLV-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)nc2ccccc21	512694734	XKXABRDPNNFTCU-KRWDZBQOSA-N	406.917	5.162	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1Sc1ncc(C(F)(F)F)cc1Cl	513156786	WUEPOCFLQUDMLE-UHFFFAOYSA-N	410.852	5.273	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	513201256	MWSAEKDUYDMYHQ-GOSISDBHSA-N	413.521	5.914	30	20	HKED	
Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1	517461757	NSVMKYJWWNRYDU-UHFFFAOYSA-N	408.445	5.346	30	20	HKED	
CCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	517678333	UGXYVGVNCLIQEG-UHFFFAOYSA-N	414.465	5.021	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)Nc3cc(C#N)ccc3OC(C)C)s2)cs1	518475395	SYZKSSLBTQCASJ-UHFFFAOYSA-N	412.540	5.161	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccccc1OC(F)F	519449136	WIWWKWCXOQZEPP-ZIAGYGMSSA-N	405.470	5.422	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12	519734147	YCUMTSYGXRLBRQ-JHMXWDHMSA-N	415.537	5.026	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)cc1	519989300	MGCDAUYOJNJSSS-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3scnc3-c3ccccc3)cc2)cc1	521094717	FGBOVGLGKNIJGM-UHFFFAOYSA-N	411.486	5.921	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H]2c2cccnc2)c1	522595371	GYPINHWEUQSXQP-NRFANRHFSA-N	403.869	5.376	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)c3c(C)noc3n2)c(C)s1	522649182	YUKPAINWEAQXIY-YTEVENLXSA-N	408.527	5.079	30	20	HKED	
Cc1c(Br)cccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	524391743	BHBZIONWKCEBGX-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(Cc3cscn3)c3ccccc3)c2)cc1	524568744	XQWBIKUMZIHCSS-UHFFFAOYSA-N	411.486	5.654	30	20	HKED	
C=CCOc1c(Br)cc(CNC2(c3cccc(Cl)c3)CC2)cc1OC	525402724	YVKIZLZGCRZINW-UHFFFAOYSA-N	422.750	5.455	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccccc3Cl)nc2)cc1	530590896	CAJGVVOMJQLWHI-UHFFFAOYSA-N	421.884	5.486	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)C1	533870991	SGWKJTNXGNQBTI-VTJXTGGHSA-N	417.962	5.205	30	20	HKED	
O[C@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1	538174740	FSQVIRXFNFKVQS-IRXDYDNUSA-N	409.345	5.031	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(F)c1	538531365	MTUPAEJEMVJPFY-UHFFFAOYSA-N	408.816	5.598	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2Cl)cc1	539939262	KXWXIKVYDLFDIP-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1ccccc1	541190496	YKQPQRFFRRVFEV-UHFFFAOYSA-N	401.514	5.139	30	20	HKED	
Cc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cn1	542109968	NHYOIBXBVAMCJR-UHFFFAOYSA-N	412.493	5.466	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1C	554154385	VSXVEKKKVYYIKM-HSZRJFAPSA-N	412.537	5.100	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	554870280	RQDIHUDRJGUKQD-UHFFFAOYSA-N	404.857	5.166	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(N4CCCCCC4)c3)CC2)cc1	555065543	LMNQWCZYGSKMPN-UHFFFAOYSA-N	418.541	5.014	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(OC4CCCCC4)CC3)c2)cc1	557085152	XIFMPZCOZZKVPP-UHFFFAOYSA-N	419.525	5.696	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1c[nH]c2cccc(Br)c12	557291810	VUJWYLQTHXKZFG-GFCCVEGCSA-N	414.328	5.434	30	20	HKED	
C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1	559003223	DZUXSAHAJZPSQQ-INIZCTEOSA-N	405.527	5.108	30	20	HKED	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	560763924	NSPUMNAJNKCRNR-MJGOQNOKSA-N	406.501	5.057	30	20	HKED	
CS(=O)(=O)c1cccc(Oc2ccc(NCc3ccc(Cl)cc3C#N)cc2)c1	573178528	LNCCYLVQVKFEEH-UHFFFAOYSA-N	412.898	5.020	30	20	HKED	
COc1ccc(-c2ccc(CN[C@@H](CCCC#N)c3ccccc3)o2)c([N+](=O)[O-])c1	580543288	VBGGJJPEHOQDSO-NRFANRHFSA-N	405.454	5.388	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NCc3ccc(C#N)cc3C(F)(F)F)cc2)cs1	582091597	ADJHPJKHSUMLBP-CYBMUJFWSA-N	401.457	5.860	30	20	HKED	
Cc1c(N[C@H](C)c2cccc(C#N)c2)cccc1C(=O)N1CCc2sccc2C1	600849437	PMVQUTMVXBDWFC-QGZVFWFLSA-N	401.535	5.300	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1csc(-c2cccs2)n1	603532595	AHPGQEXZSUIKND-UHFFFAOYSA-N	415.543	5.519	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)c2cccnc12	603738885	GHXBSLUMTGXMOE-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)C(F)(F)F)cn2)cc1	603822078	RKFJMWJDQXVNCL-IBGZPJMESA-N	412.371	5.171	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	603968549	AOYBOQLLZFDMJD-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)COc2cccc3ccccc23)cc1	604003561	ITOGXSRQXAAEFW-UHFFFAOYSA-N	422.484	5.502	30	20	HKED	
CN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc(C#N)cc1F	608798335	QFXQEVZRTDQSKQ-UHFFFAOYSA-N	420.831	5.073	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(OCc2ccccc2)cc1	609028281	RCWCTCYIFXTWLV-OAQYLSRUSA-N	415.880	5.395	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)C1CC1	609078101	BXJYENWVWODPBM-RUZDIDTESA-N	411.505	5.719	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)CC2CCCCC2)cc1Cl	609163992	DVRFGWKUTJLSEK-OAQYLSRUSA-N	423.944	5.021	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(OC(F)F)cccc2[nH]1	609430322	NQZZYZANERIMSW-GFCCVEGCSA-N	401.438	5.416	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)s2)c(C)c1	609460397	ISHFMVZAJRJGRF-KRWDZBQOSA-N	415.440	5.440	30	20	HKED	
CN(C)CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1	609724460	QNLQEKXQKQLSEE-UHFFFAOYSA-N	419.912	5.212	30	20	HKED	
COc1cc(C#N)ccc1OCCSCc1cccc(C(=O)Nc2ccccc2)c1	610137223	IFZQWXJFGCLQRW-UHFFFAOYSA-N	418.518	5.131	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1OCC	613290991	QOUUEIYOXJYODO-GOSISDBHSA-N	422.912	5.956	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	613407639	ZYQVBUUFWYHXRL-XFBWCDHKSA-N	409.898	5.034	30	20	HKED	
C=CCn1c(C)cc(C(=O)Cc2nc(O)c3cc(-c4ccccc4)sc3n2)c1C	614105852	OBMXRQVAWSCANN-UHFFFAOYSA-N	403.507	5.094	30	20	HKED	
Cc1cc(C#N)ccc1CS[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1	614395254	FUBFVPVHVYPPRW-ZDUSSCGKSA-N	407.520	5.831	30	20	HKED	
O=C(COc1ccccc1C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622477805	LXQBVYVAZVOXSO-CQSZACIVSA-N	409.301	5.033	30	20	HKED	
FC(F)(F)c1ccccc1OCCN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	622818327	MGRAWEMFRBOLEL-PHIMTYICSA-N	409.292	5.147	30	20	HKED	
O=C(Nc1ccc(Cl)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642398666	MYTWRUJQOPGXOO-MBTKJCJQSA-N	406.729	5.510	30	20	HKED	
COc1ccc(C[C@H](C)CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	681112652	WLEMVNLJIYZIJL-UBHSHLNASA-N	415.393	5.512	30	20	HKED	
CSc1c(F)cccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684761898	YLYZIZIUFKNXAP-RKDXNWHRSA-N	403.363	5.187	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1	726940191	NAKCQRDKFXXLTR-UHFFFAOYSA-N	416.333	5.986	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1	727266941	KMWMUVFMTMDTPS-YCRREMRBSA-N	420.818	5.567	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3c(C)nc4sc(C)cn34)s2)cc1	727975033	PDTUUKRPDUPSNE-KTKRTIGZSA-N	409.536	5.349	30	20	HKED	
CCCCCOc1cc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)ccc1OC	728156688	LWXFJSLTQAKWHH-XDJHFCHBSA-N	419.477	5.007	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	728627541	SKVNXCOTHMGDNZ-UHFFFAOYSA-N	420.387	5.126	30	20	HKED	
COCCOc1ccc(/C=C\C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1	730464952	PSPKBWLQRSCBKH-MLPAPPSSSA-N	409.507	5.048	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1	731196088	WUWKVOQCUNNBJR-INIZCTEOSA-N	420.296	5.335	30	20	HKED	
CCCCCCC[C@@H](C)CNC(=O)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1	732449048	HZVORZMQAVSNLK-OFNKIYASSA-N	407.643	5.196	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)[nH]c1C	734426593	QABSIKWQMATUNH-UHFFFAOYSA-N	422.488	5.397	30	20	HKED	
CON=Cc1ccc(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)cc1	739744346	GGICYFKRLCJRCE-UHFFFAOYSA-N	402.450	5.157	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(C#N)cc1	739989114	DZLVYPXSCKNBMV-QFIPXVFZSA-N	422.431	5.077	30	20	HKED	
COc1cccc(C=Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1O	743539162	VFZAUCKSPQGHDF-UHFFFAOYSA-N	420.896	5.284	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1C(F)(F)F	744016665	QRHRXNQXESOABL-HVJHFUJKSA-N	410.395	5.490	30	20	HKED	
N#C[C@H](C(=O)[C@H]1SCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	744038174	OUIPUDIUOUSHKD-KDOFPFPSSA-N	418.465	5.522	30	20	HKED	
C=CCCO[C@H](C)C(=O)O[C@H](C)c1sc(-c2ccccc2Br)nc1C	744319293	DUDUUYXCRYEWOU-ZIAGYGMSSA-N	424.360	5.466	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CC1=O	747198534	YWJRVTWWDKRXJX-BQFCYCMXSA-N	409.555	5.009	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-]	749972571	NGQQVZOGFAOHHZ-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
Cc1ccc(CCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	751152088	LMVBDXOYVSQRFP-AWEZNQCLSA-N	408.470	5.884	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2cc(Cl)ccc2Cl)cs1	751895905	WLGCIVIXYRTZDK-UHFFFAOYSA-N	419.337	5.889	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC2CCC(c3ccc(OC)cc3)CC2)ccc1OC	753566736	UOGSNLLQKGDXEH-VTLFHKLASA-N	408.542	5.201	30	20	HKED	
C/C(=C\c1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756531372	YPYFDRBGINIPNY-MDNBWPLSSA-N	403.894	5.615	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(-c3ccccc3)cc2F)c1-c1ccccc1	758039808	GBFXLVWQMWTWRC-UHFFFAOYSA-N	410.452	5.522	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc(Cl)ccc2F)cc1Cl	758436211	QONVCOXMNYXJBG-OAHLLOKOSA-N	400.240	5.435	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)nc2ccccc21	769773506	LWBVIIHMNWUXRR-GWQWUEFDSA-N	403.791	5.049	30	20	HKED	
N#CCCn1cc(CNc2ccc(N3CCCCC3)c(Cl)c2)c(-c2ccccc2)n1	770529374	JTEVBLAIWSOVRL-UHFFFAOYSA-N	419.960	5.720	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2ccc(Cl)c(Cl)c2O)ccc1OC	775521316	UXFQTJCOXNHJLS-YOEHRIQHSA-N	423.340	5.629	30	20	HKED	
C#CCOc1cccc(Cl)c1CNc1cccc(C[S@](=O)Cc2ccccc2)c1	778173754	STFRWEJMRJISQT-GDLZYMKVSA-N	423.965	5.413	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1	778597785	PLGAIXJVCBEHBA-IBGZPJMESA-N	423.375	5.104	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	780162802	JDQGMUKKKVSGEM-JTQLQIEISA-N	424.831	6.117	30	20	HKED	
CCN(C)[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	780315376	QORFUDXICABIAX-YJBOKZPZSA-N	417.456	5.184	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC1(C#N)CCCC1	780535727	XHGRTGXDFWEAGD-UHFFFAOYSA-N	404.466	5.264	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2cccc(Cl)c2o1	783076168	FSNPLASGRGQWBI-LBPRGKRZSA-N	417.248	5.018	30	20	HKED	
C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nnc(-c2ccc(F)cc2)o1	785016783	FHTKHRWPWMPMIF-OAHLLOKOSA-N	418.428	5.052	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)NCCc1ccc(F)cc1	789214091	WKVKTZCRMUTLQQ-UHFFFAOYSA-N	421.516	5.269	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1	789450318	NTUIWYZYOSZPNQ-HSZRJFAPSA-N	412.549	5.901	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	789457466	TWHWYHFQSWZIBX-IBGZPJMESA-N	407.341	5.700	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1cnc2ccccc2n1	792099792	GRMIEUQRWJZMNS-GOSISDBHSA-N	413.864	5.205	30	20	HKED	
Cc1cc(C)c2cccc(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2n1	792734848	KZKAJUKCSLFPQI-KRWDZBQOSA-N	405.523	5.263	30	20	HKED	
C=CCc1cc(C(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)cc(OC)c1OC	798239564	DSFGGMWCRKHGFG-GOSISDBHSA-N	421.371	5.034	30	20	HKED	
N#Cc1cc(NC(=S)Nc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F	799511758	TVDPHPVBVPIWCO-UHFFFAOYSA-N	406.216	5.573	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1cnn(C2CCCC2)c1	799895203	FCHVWGZLLWXAGC-ZHACJKMWSA-N	409.493	5.142	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)ncc1Cl	806825824	UEUOIQNUZYAENH-JTQLQIEISA-N	410.724	5.144	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2c(CN[C@H]3CCc4ccc(C#N)cc43)cccc21	810240308	UYBSJPLGPPCYPY-QFIPXVFZSA-N	403.526	5.023	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2ccc(F)c(Br)c2)c(-c2ccccc2)n1	810248237	QVPDLBBWKZQMLO-CSKARUKUSA-N	424.273	5.261	30	20	HKED	
CC1(C)CN(c2nc(Cl)c(C#N)s2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	814374057	BPMMNWZMVHQPCA-LBPRGKRZSA-N	401.841	5.043	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NCc2ccc(C(C)(C)C#N)cc2)cc1	864032948	KQDBIDMJJOBJDP-FCHUYYIVSA-N	405.542	5.480	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C)Cc2ccc(Cl)c(Cl)c2)c1=S	915825910	LOPWHWIJEGPNHS-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	916904896	KCJRVIDDLQDVKA-JUWJPQTCSA-N	416.864	5.493	30	20	HKED	
N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Cl	916911772	XORBVTLCYWLTNZ-LLVKDONJSA-N	413.713	5.086	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)sc21	916912261	ZSZSXHPXEVKDQB-CQSZACIVSA-N	407.882	5.008	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1cccc(C#N)c1	917146433	MGFWVIZSIXCLNF-ZHACJKMWSA-N	406.283	5.019	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)cc3F)cc2)CCC1	1790663145	UPKDIVKDDNCUKQ-FQEVSTJZSA-N	422.500	5.047	30	20	HKED	
C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1-c1ccccc1OC	4196891	QDEMDGOUFWMXPX-UHFFFAOYSA-N	405.445	5.451	30	20	HKED	
CCOc1ccc(Oc2ccc(N[C@H](C)C(=O)Nc3ccccc3C#N)cc2)cc1	7243448	YUHHTBDSFWGVPS-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2OC)[n+]2ccccc2CC)cc1	10118364	ONECNFRLYLGJDT-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
Cc1nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C#N)c(C)c1C	23078571	ZWJYMJMWOXCRPP-UHFFFAOYSA-N	414.745	5.570	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1	29203945	JXOCEVXSHCSDRG-UHFFFAOYSA-N	412.902	5.023	30	20	HKED	
Cc1cc(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(C)s1	57089904	YBZKSHYLNVGXMN-UHFFFAOYSA-N	419.506	5.334	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OC(F)F	206628953	PHTMFBWVMALPBS-WZUFQYTHSA-N	418.440	5.113	30	20	HKED	
C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1cccc(C)c1	301204919	OPPDTEYNSCLMHP-UHFFFAOYSA-N	409.465	5.472	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCOC2(CCCCC2)C1	426084459	LEUQLNRIINCXNA-HXUWFJFHSA-N	419.525	5.662	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H](OCC3CC3)C2)c1	427951948	RRGSMYRQKYDDSJ-IBGZPJMESA-N	410.901	5.035	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2)cc1	429871297	LNDDQBFRNUWTGS-QHCPKHFHSA-N	402.519	5.220	30	20	HKED	
COc1ccc(-n2c(CN[C@@H](CCCC#N)c3ccccc3)nc3ccccc32)cc1	433020785	UGCNZMYGPLIDNV-QHCPKHFHSA-N	410.521	5.559	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CSc1nc(C)c(C)c(C)c1C#N	436350499	VIFLPHKKFJEZBS-SFHVURJKSA-N	421.488	5.089	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1	438842250	RGVZVWSJYZGHBZ-NTKDMRAZSA-N	414.509	5.066	30	20	HKED	
Cc1ccc(Br)cc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	439323722	FZGOHRXSJZJIAG-CYBMUJFWSA-N	418.360	5.331	30	20	HKED	
CCCc1c(NC(=O)c2cc(C(F)(F)F)ccc2F)cnn1-c1cccc(C#N)c1	440105087	QTUFMXVOPQKRRK-UHFFFAOYSA-N	416.378	5.107	30	20	HKED	
COc1ccc2occ(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1	440685174	XATZFXBHMDMMFB-UHFFFAOYSA-N	412.445	5.339	30	20	HKED	
CCOc1c(F)cccc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	443856107	RDMGGWVXNBMZLJ-UHFFFAOYSA-N	406.432	5.078	30	20	HKED	
N#CC1(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CCOCC1	444444755	PSFYWOZLKXTXRT-UHFFFAOYSA-N	413.886	5.001	30	20	HKED	
C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)CCCC1(C)C	444783019	KBFMSAXTCKEJRO-JOCHJYFZSA-N	411.615	6.011	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c(OC(F)F)c1	444798904	GZVLSZOGSQPNCI-OAHLLOKOSA-N	408.729	5.345	30	20	HKED	
C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1	460377790	ZPQXKDVLAOEWCH-LJQANCHMSA-N	406.578	5.292	30	20	HKED	
C[C@@H](CCc1cccn1C)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	460470897	WPCJVVZAPSWSGF-INIZCTEOSA-N	407.901	5.094	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1ccc(C#N)nc1	460657158	PKDSACPSMNZWSP-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1	463608582	CECCKUTYMLMYIW-NRFANRHFSA-N	422.531	5.390	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	466598678	DXYFPCQJBXZXJW-UTKZUKDTSA-N	406.526	5.036	30	20	HKED	
COc1cc(F)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	468366605	CNMGVFVILNSGLC-UHFFFAOYSA-N	410.445	5.390	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC1(C#N)CCC1	468424096	WJUXWRGOQDUWKR-INIZCTEOSA-N	403.507	5.052	30	20	HKED	
C[C@H](c1ccccc1Br)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	468897587	ILXSMNHQXYMXEK-MRXNPFEDSA-N	424.342	5.541	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F	469222051	ZMQJJDBWMFTDRE-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](c2ccsc2)O1	470792740	KQBXIQYUJMTCDS-KSFYIVLOSA-N	419.506	5.406	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	472758373	XQJSSEWLJDZMSK-ZNLUXHQJSA-N	409.555	5.431	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	473746466	UMXGTNJALAEQIY-UHFFFAOYSA-N	413.506	5.306	30	20	HKED	
Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2ccccc2S[C@H](C)CC#N)n1	473820816	KQAXOOAMUJLGMO-GOSISDBHSA-N	419.554	5.205	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	475017386	QRIIUBSYSDYMMV-MRXNPFEDSA-N	418.419	5.080	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1	476152736	MMVWSRABKUKENR-UHFFFAOYSA-N	408.542	5.906	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(F)c3)o2)nnc1-c1ccc(OC)cc1	476482858	PIRNCJBSNALRQO-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1	476815417	GYSTYBKIVZORKC-LJQANCHMSA-N	411.343	5.098	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cnc1C(F)(F)F	477203594	JRROOKLWBWQHLO-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC4C[C@H]5CC3C[C@@H](C4)C5)cc2F)c1	481633725	YYXNMTUZPLVUJU-SYURHXKASA-N	419.500	5.319	30	20	HKED	
CC(C)c1c(NC(=O)CSCc2ccc(C#N)cc2)cnn1-c1ccccc1Cl	482699795	VFOVLQJFBVNTEM-UHFFFAOYSA-N	424.957	5.393	30	20	HKED	
N#CCCC[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1	487178221	TVKRDTWAYMLGJT-QGZVFWFLSA-N	411.716	5.577	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1	487399897	CSZGRAHBDSZKEL-RUZDIDTESA-N	410.517	5.868	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N(Cc1ccccc1)c1ccccc1	487403747	WGIVPNSEIXBDMY-FQEVSTJZSA-N	415.562	5.584	30	20	HKED	
C=CCn1c(SCc2nc(O)c3c(C)c(C)sc3n2)nnc1-c1ccccc1C	488883796	XGGYLIRBKQSVFL-UHFFFAOYSA-N	423.567	5.059	30	20	HKED	
CC(C)CN(C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)c1ccc(C#N)cc1	499322438	FLRZFWGBQHFHQX-UHFFFAOYSA-N	421.932	5.219	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2c(Cl)cccc2Cl)cc1C(F)(F)F	499486882	QVZBYAJBYLUBOU-UHFFFAOYSA-N	405.228	5.615	30	20	HKED	
COc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1	502227581	BKKORCJOWAOGQP-IBGZPJMESA-N	421.884	5.657	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503464598	PRIQWEKMBNLKPB-UHFFFAOYSA-N	405.567	5.830	30	20	HKED	
Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	504092216	VDUMPJFJQOUEGQ-HSZRJFAPSA-N	410.539	5.346	30	20	HKED	
CC(C)[C@H](CCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	505407618	GANHPAXZFWOKFN-QHCPKHFHSA-N	417.553	5.113	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)n2)cc1	505432187	GLPSKZOCUVXYMI-AWEZNQCLSA-N	413.289	5.234	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccccc2OCc2cscn2)cc1	505815429	MSPFWOGFIQXZPQ-HXUWFJFHSA-N	405.523	5.014	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1	505816047	SPAMFNVZPZAPSK-FQEVSTJZSA-N	421.928	5.606	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)Nc4cc(C#N)ccc4OC(C)C)CC3)c[nH]c2c1	507788728	PIPRHOPZZCMUEN-UHFFFAOYSA-N	414.509	5.456	30	20	HKED	
Cn1cnc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc21	510635818	XAXXWXBZWOZIKX-IBGZPJMESA-N	400.869	5.134	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc3c(Cl)cccc3n2CC(F)(F)F)c1	511551908	ITHHKAZNSOLYNJ-UHFFFAOYSA-N	413.186	5.029	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)s3)n2)cc1	512508547	IGYGXSDUBPVDFM-GFCCVEGCSA-N	419.325	5.133	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2coc3ccccc23)cc1	512564425	JKUOCZSLWJKFEN-UHFFFAOYSA-N	413.433	5.427	30	20	HKED	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[C@H](C#N)c2nc(C)cs2)c1	513677157	RKXHXEGSBQDWNR-IBGZPJMESA-N	416.481	5.242	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccn(Cc3ccccc3)c2)cc1	513684381	GRKZRXQNMGFXRQ-UHFFFAOYSA-N	421.500	5.434	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)no1	517335595	BAVKDBSFYXHRKM-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1OC(F)F	517530331	QUMVUMVBLFDJHS-HOCLYGCPSA-N	419.497	5.955	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccoc4)n3)n2)cc1	518155033	LCZIEVPWMNJSFH-HNNXBMFYSA-N	407.476	5.025	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2cccnc2)c1	518240738	ANFUVMCWCSCYEA-QGZVFWFLSA-N	403.507	5.307	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)cc2)cc1	520326745	JNBSOZZQWYEZIQ-RPBOFIJWSA-N	412.489	5.195	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc2ccccc2o1	522573944	IJAXSEYSNQDQCF-UHFFFAOYSA-N	403.825	5.422	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)C1	524194673	HHCDTTXRCMBBFX-QRQCRPRQSA-N	422.579	5.039	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cc2)c1	524248461	XPHJYRIAHUXNIH-JOCHJYFZSA-N	401.466	6.093	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc2ccccc2c1	524614130	SZKFQNKKEIRFMX-ZWKOTPCHSA-N	420.603	6.667	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccc(C#N)c(C#N)c1	525353092	ZJGLKUCFZTXGMR-UHFFFAOYSA-N	402.457	5.135	30	20	HKED	
Cc1cc([C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C2CC2)ccc1F	535578643	GJPFUGYRMLFGSM-HSZRJFAPSA-N	401.441	5.074	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	539466241	IDIKZCNFOHRAPR-AWEZNQCLSA-N	414.481	5.444	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cncnc1-c1ccccc1	542164818	VKSVVRRIDNCGEQ-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccccc1C#N	542569650	QTTNEVVCQNZDIC-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
C[C@H](NCc1ccc(OCc2cccnc2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543875267	RHBXSNFUIXAAIS-NRFANRHFSA-N	419.528	6.050	30	20	HKED	
C=CCn1c(SCc2nc([C@H]3C[C@@H]3C)no2)nnc1-c1ccc(Cl)cc1Cl	546478099	IJCOCUJALUHFGN-GWCFXTLKSA-N	422.341	5.237	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3cccc4ccccc34)CC2)c(F)c1	552687393	JNOGHQLNMACNBF-GOTSBHOMSA-N	414.480	5.024	30	20	HKED	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	554399010	JWRCYWXNMWLZHC-OAOOKAIFSA-N	422.960	5.086	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1	554609187	KFAMKRQJHLSUGR-VWLOTQADSA-N	411.505	5.262	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)N(CCC#N)c3ccc(F)cc3)c2o1	555951669	LWLYEEXGSTURDG-UHFFFAOYSA-N	401.235	5.203	30	20	HKED	
N#Cc1ccc(N2CCC(NCCc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1	556883619	FXRZOLLRJNVASA-UHFFFAOYSA-N	422.985	5.136	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Cl)c(F)cc1Cl)c1ccc(OC(F)(F)F)cc1	559667951	BAWSVEKNOVBRQV-CQSZACIVSA-N	407.150	5.026	30	20	HKED	
CC(C)OCc1cccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	562108549	GTQIDNQZFFQEGM-UHFFFAOYSA-N	402.454	5.315	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	570514315	CJAWOCCZBPCJDN-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
N#Cc1cc(F)cc(C2(c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)CC2)c1	577102714	WMACZBHNPNSJJT-INIZCTEOSA-N	405.326	5.238	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	579400903	OSOYAPGFWVKRDQ-MAEOIBBWSA-N	417.431	5.935	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCCc3csc4ccccc34)CC2)c(F)c1	579601379	KWFKCQIERNUMBA-UHFFFAOYSA-N	422.525	5.305	30	20	HKED	
COC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1	589505311	XOHZTCFJYREMEA-QGZVFWFLSA-N	402.338	5.073	30	20	HKED	
Fc1ccc(Br)c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	591373725	OVOBELHPHYCBCE-NXEZZACHSA-N	408.155	5.151	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccccc2)O1	609209111	YIBQRCBXMVBQIA-KOSHJBKYSA-N	413.477	5.344	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	609298785	GSLHIMQHPSTMLP-UHFFFAOYSA-N	420.440	5.538	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1	609378876	FQSYNZFMHMDAMQ-UHFFFAOYSA-N	414.474	5.129	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)C3CCCC3)cn2)cc1	609469116	IQQNWRPQPOWDCW-UHFFFAOYSA-N	402.454	5.315	30	20	HKED	
CS[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	610041100	RNHCPQZSCRYOCE-QHCPKHFHSA-N	402.519	5.374	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1	610054171	XWWKCCRNYWQGPH-IBGZPJMESA-N	416.525	5.199	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1C#N	610111799	BISSUAAFHDGHFN-UHFFFAOYSA-N	410.458	5.116	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)NC3(c4cccc(C#N)c4)CC3)cs2)cc1	610975699	NOHMJYZGQOWTSA-UHFFFAOYSA-N	401.535	5.153	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccc(F)cc2)c1C)c1nc(-c2ccccc2)cs1	617943879	HRGKPOIBLPPDAC-UHFFFAOYSA-N	418.497	5.276	30	20	HKED	
C[C@@]1(C#N)CCCN(c2nnc(Cc3cccc4ccccc34)n2Cc2ccccc2)C1	619818508	TWPAVZXRFDXFOG-MHZLTWQESA-N	421.548	5.200	30	20	HKED	
O=C(Nc1ccc(-c2ccccc2)cc1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674556917	SKRJUBNTFJXRCL-KBPBESRZSA-N	420.328	5.697	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1nc2cc(F)ccc2s1	682004254	XKSFHCAEORSINV-CYBMUJFWSA-N	402.410	5.062	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2ccc(-c3nc4ccccc4s3)o2)cc1Cl	726452625	XTDFBXSASHHOMI-UHFFFAOYSA-N	424.938	5.568	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)cc1Cl	726903418	UQCNDLSWLKCWML-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1Cl	726904557	AMVXEPAYILAELU-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1	726941546	COLUPLHSAGVAMW-UHFFFAOYSA-N	414.465	5.076	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1	728667761	ALKLZPHYFZVZIJ-GOSISDBHSA-N	414.461	5.151	30	20	HKED	
CCOc1ccc(OCC)c(NC(=S)Nc2ccccc2SC[C@H](C)C#N)c1	730954687	HPRYMLLPMOXFTN-OAHLLOKOSA-N	415.584	5.545	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)nc2ccccc21	732594059	ZEDSLMYHCDZMDZ-YTFSRNRJSA-N	421.500	5.132	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCc2ccccc2C1)C(=O)Nc1ccccc1Oc1ccccc1	732596320	PSSKLJBTKFHGSW-CVDCTZTESA-N	424.500	5.321	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2cc(C(F)(F)F)ccc2F)SC1=S	733370231	ZRWITBACYGRPLF-OVCLIPMQSA-N	408.401	5.122	30	20	HKED	
O=C1/C(=C\c2nccn2Cc2ccccc2)CCc2nc(-c3ccc(F)cc3)sc21	734094705	FSZVIBUDDNKSQJ-JXAWBTAJSA-N	415.493	5.407	30	20	HKED	
CN(C)C(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	734849673	LAECZOOVWQNZCG-HSZRJFAPSA-N	419.912	5.032	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(F)(F)F)c1	739161887	UYSOOYUAXWLUNT-DYVFJYSZSA-N	415.440	5.594	30	20	HKED	
Sc1nnc([C@H]2CCCCO2)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	743451411	FQSDOGBAADYFGT-MRXNPFEDSA-N	423.325	5.257	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1C(F)(F)F	744029958	XVMVMNJCGQQFAF-IEZBTEQYSA-N	406.791	5.110	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ncc(-c4cccs4)o3)cc2F)c1	745993414	CQAFIIHDOJQIDW-UHFFFAOYSA-N	405.454	5.605	30	20	HKED	
COc1c(C)cnc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C	746763390	IUFRUTPSODQQOD-QFIPXVFZSA-N	414.509	5.026	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)c1ccc(C#N)cc1	748604454	CEZQJHOIPVWUME-UHFFFAOYSA-N	420.468	5.051	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1	750992085	XHSYSCHPEIPRCK-VWLOTQADSA-N	419.553	6.818	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C2SCCCS2)cc1	752038649	JKPIAWSCDDGCOK-NHCUHLMSSA-N	408.592	5.467	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ccc2c(c1)CCC(=O)N2C	754704414	DJPDZAHOANTWGQ-UHFFFAOYSA-N	418.444	5.060	30	20	HKED	
CC[C@H](C)[C@@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1	763759524	XQJRLMRVEFXPTF-MHECFPHRSA-N	402.494	5.111	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)c2ccccc21	767886107	XQTMGCPBRDKHJS-UHFFFAOYSA-N	403.873	5.036	30	20	HKED	
COC[C@@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nccs1	774683327	UJURZBCNUSQFOF-GOSISDBHSA-N	414.870	5.005	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2oc(-c3ccccc3)nc2C)cc1	779195592	YIEUTGSAJMQGAT-MGPUTAFESA-N	401.466	5.125	30	20	HKED	
CC(=O)OCCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	779449976	QJQLMAYKGIDMOR-UHFFFAOYSA-N	416.502	5.067	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1O[C@@H](C)C#N	780149414	IKAMHAUUPBAVAN-IBGZPJMESA-N	422.488	5.391	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCCNC(=O)OC(C)(C)C	781610718	XFCKDOWAHHJFCE-UHFFFAOYSA-N	423.513	5.293	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccnc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	782193120	DVQPJPFFPKUEEX-YWEYNIOJSA-N	424.840	5.127	30	20	HKED	
Cn1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(-c2ccccc2)n1	782552402	DVMPEKDEUSINKT-XMMPIXPASA-N	421.504	5.064	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(F)(F)F)c(F)c1	784489970	AATLQTOYMYLFPT-SNVBAGLBSA-N	419.161	5.112	30	20	HKED	
O=C1/C(=C/c2ncc(C(F)(F)F)s2)CC/C1=C\c1ncc(C(F)(F)F)s1	788343564	GKBVYVVQTFWFMZ-FCXRPNKRSA-N	410.364	5.467	30	20	HKED	
COc1cc(F)c(C(=O)/C=C/c2cnc(-c3ccc(Cl)cc3)s2)cc1OC	789141106	AGCOYDITCFBIQS-BQYQJAHWSA-N	403.862	5.516	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C(C)C	792230757	ZLQXWUKXYURDKG-QFIPXVFZSA-N	415.541	6.106	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)c1	792695273	NBZHHDYEYHXTEQ-SFHVURJKSA-N	419.308	5.054	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1	793307352	AVWYXKGOANVJHS-UHFFFAOYSA-N	401.535	5.364	30	20	HKED	
O=C1/C(=C\c2ccccc2OCc2cccnc2)CCc2nn(-c3ccccc3)cc21	794955336	WFPDTJYCPOKXEB-QNGOZBTKSA-N	407.473	5.059	30	20	HKED	
C=CC[C@@H](OC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(Cl)c(Cl)c1	797553643	KEUFJAFWINPRHR-LJQANCHMSA-N	419.308	5.376	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc1C#N	799319561	LEDVAETYCARXNM-UHFFFAOYSA-N	403.869	5.049	30	20	HKED	
N#C[C@@H](C(=O)COc1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	800385957	FZIPRKIHCQHQCN-ZDUSSCGKSA-N	409.319	5.434	30	20	HKED	
C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cc(Br)cc(Cl)c1O	800991062	XJWJLKABSBAXAW-VIFPVBQESA-N	400.103	5.184	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1Cl	801073040	OQJIJTKIHUAVAC-SFHVURJKSA-N	407.823	5.277	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1\C[C@H](C(=O)O)c2ccccc2C1=O	806559999	HPHPNSIVEHRKBZ-RKPWUKJMSA-N	420.896	5.040	30	20	HKED	
COCCOCc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3OC)cc2)cc1	809154105	NFWZPWPHHINQKM-LFIBNONCSA-N	402.490	5.421	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccccc1Cl	809910806	CCEHGJHJKNNLOG-QGZVFWFLSA-N	400.313	5.174	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccc(F)c(Br)c1	813061279	FYNUYTLIRORJJW-WCQYABFASA-N	401.235	5.099	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(Cl)c(Br)c1	813399656	QSOQOGUETPZWQO-SNVBAGLBSA-N	410.724	5.002	30	20	HKED	
CC(C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-]	814578176	XVVSGQZZSVEMGX-FQEVSTJZSA-N	414.465	5.307	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](CCc2ccccc2)c2ccccc2O)c1	815593843	ZCBKDYXIZQUETF-WIOPSUGQSA-N	400.522	5.537	30	20	HKED	
COc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1OCc1ccccc1	817318697	GOLOECFXNFPDQD-HSZRJFAPSA-N	414.505	5.439	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1	916951302	XQJWJJPQDVCYTI-HNNXBMFYSA-N	406.488	5.086	30	20	HKED	
N#C[C@H](C(=O)Cc1csc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	916976115	KJSPFBNXZMBPSV-QGZVFWFLSA-N	408.935	6.097	30	20	HKED	
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(N=Cc2cccc(O)c2O)c1	920944283	AFGHLPRYVYDQEJ-UHFFFAOYSA-N	400.356	5.120	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)c1	1787705329	IOIJCUAVSOIYBQ-KRWDZBQOSA-N	403.526	5.107	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1	1789449160	OMTKINBBPFJKMH-IBGZPJMESA-N	423.944	5.251	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1819311305	UWDJCPKQZDRPRQ-FDPQJJROSA-N	424.589	5.141	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCCCC(C)(C)C)n[nH]2)C1	1822114535	QACWKGCGKSWTNW-FQEVSTJZSA-N	414.594	5.365	30	20	HKED	
C#CCN(Cc1nc(N)c2c3c(sc2n1)CCCCC3)[C@@H]1CCCc2ccccc21	2088607223	JFIXOBNEUIMCHT-HXUWFJFHSA-N	416.594	5.055	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1OC	6147802	IBJMWGLZVLGLIM-CQSZACIVSA-N	413.930	5.157	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1	22415605	GQICLRLLHFQRGI-UHFFFAOYSA-N	422.557	6.035	30	20	HKED	
Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccccc2)c(Cl)c1	23604668	QSYYLGHDMROKHA-UHFFFAOYSA-O	412.966	5.240	30	20	HKED	
C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(OC)cc2)CC3)CC1	111194991	UKMPRJNCVCJCIK-JZJYNLBNSA-N	410.517	5.522	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](CC)c1ccc(F)cc1	303773216	JPMNHVVLBSVONV-IBGZPJMESA-N	401.482	5.565	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(-c3ccccn3)nc3ccccc23)s1	430600279	HDGVQTZCCXGWOY-KRWDZBQOSA-N	412.518	5.541	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@H](C#N)c1cnc2ccccc2n1	430604929	RMNGUVBQLMZVLY-CYBMUJFWSA-N	423.259	5.390	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1Cl	432009162	UEXGILBBPNOFNI-HNNXBMFYSA-N	416.695	5.950	30	20	HKED	
CN(Cc1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1	433667600	RHSHTYRSEFWVJW-AOYPEHQESA-N	424.548	5.627	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)s1	435065202	ISXAIYPNEKSPJL-UHFFFAOYSA-N	422.293	5.308	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1	438072323	IVMXBJQPGFILBL-ZEQRLZLVSA-N	411.505	5.666	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)cc1C(F)(F)F	438643687	VDPFZZAOZSHMGC-UHFFFAOYSA-N	421.469	5.934	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)cc1F	438659921	IEHMIWJCKLERTM-UHFFFAOYSA-N	421.859	5.733	30	20	HKED	
CCSCC[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438661925	QJKDXVQDJMQFGU-HNNXBMFYSA-N	401.507	5.485	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@H](CCC#N)c1ccccc1)C1CC1	440258543	UQUYFSTWSIQARK-HRAATJIYSA-N	415.459	5.985	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1	441231286	MCLHXFHQDOVZEH-IBGZPJMESA-N	407.905	5.386	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](CN(C)CCC)C1)c1ccc(C(F)(F)F)cc1	441534032	OMROGWBJFOXPSZ-PXNSSMCTSA-N	411.512	5.086	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccc(C(F)(F)F)cc1	441563665	JJTJHXDDJPNITQ-INIZCTEOSA-N	409.452	5.142	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(F)c(F)c1	445794471	JZVNXBWNPZBPCY-UHFFFAOYSA-N	400.372	5.171	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n1	447400319	ZQERFPXNYUPZJG-QGZVFWFLSA-N	407.514	5.209	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1	460154490	JYDKOZZXSUALNF-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cscc2-c2ccccc2)cc1	463571560	UHAHUZMDSJQVPN-UHFFFAOYSA-N	402.519	5.482	30	20	HKED	
CSc1ccc(Cl)cc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	465453146	LSRNTUIMJKLKKA-UHFFFAOYSA-N	424.957	5.708	30	20	HKED	
CC(C)CO[C@H](C)c1noc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	467191694	OPPLLCSHKIZAFP-GOSISDBHSA-N	422.504	5.016	30	20	HKED	
N#CCCN(C(=O)CNc1ccc(CCC(F)(F)F)cc1)c1cccc(Cl)c1	470525221	FKZUASNMIYQDFE-UHFFFAOYSA-N	409.839	5.194	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccccc3Oc3ccc(Cl)cc3)o2)cc1	471627196	QKMHFFPQWPGTCO-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	471874502	RSJAFWQLJPIENO-OIBXWCBGSA-N	413.525	5.105	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1	476141334	JKALEULZSWBRTI-UHFFFAOYSA-N	413.443	5.995	30	20	HKED	
C=CCC[C@H](NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1)c1ccc(C(F)(F)F)cc1	476408776	SCJTZJHKJTXXQE-WMZOPIPTSA-N	419.491	5.481	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	480943740	WFBUIPWLSZRISA-LBPRGKRZSA-N	403.479	5.467	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OCC)n2)nnc1-c1cccc(Cl)c1	481406841	XBLZBOIYTAJLQC-ZDUSSCGKSA-N	420.991	5.631	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	486528105	JCFQGCRRTOKGKY-HXUWFJFHSA-N	417.534	5.269	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc2cc(Br)cnc12)c1ccccc1	486821299	JQNBRYPYNDLENW-KRWDZBQOSA-N	409.287	5.164	30	20	HKED	
N#CCCC[C@H](NC(=O)CCSc1ccnc2cc(Cl)ccc12)c1ccccc1	487219162	MMRNXGGTTQOTJE-FQEVSTJZSA-N	423.969	5.922	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1	488366109	GOCZQYXTQPHPCM-GOSISDBHSA-N	420.925	5.301	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccn1	488896924	JWHYMSSCJZIVKP-MRXNPFEDSA-N	418.526	5.046	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)ccc1F	489442799	VJYZHEUJSKVBQF-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
FC(F)Oc1ccccc1[C@H](NCc1nc(C(F)(F)F)cs1)C(F)(F)F	491354473	BVMPFXZPQIBEOO-NSHDSACASA-N	406.298	5.157	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F	494533276	PRVCDWXNBQWXRM-QMMMGPOBSA-N	406.298	5.132	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(F)cc1Br	497450674	MHPMNHYSWUJJQH-BEFAXECRSA-N	416.294	5.200	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(C(C)C)c2C2CC2)cc1	498267660	XGCXNLCLYBIWSU-UHFFFAOYSA-N	416.481	5.266	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)Nc3ncccc3OCCCC#N)c(F)c2)cc1C	500578982	CUTDOGAJFBGSNM-UHFFFAOYSA-N	403.457	5.439	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(-c2cccc(F)c2)n1	501003948	YHDGMSOVTDVHGO-UHFFFAOYSA-N	417.465	5.190	30	20	HKED	
Cc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1Oc1cccnc1	503642136	IHEBKVIQFWSAOR-UHFFFAOYSA-N	410.477	5.375	30	20	HKED	
N#C[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1Cl	505635867	OVZSKZREEZLAPQ-HNNXBMFYSA-N	423.847	5.282	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(C)(C)c2ccccc2OC)cc1	505708816	GGDFBEJBQVXADJ-UHFFFAOYSA-N	416.477	5.284	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)N3CCCCC[C@H]3c3ccccc3)CC2)c(F)c1	507700030	FPTDSWWSNDZXPG-QHCPKHFHSA-N	405.517	5.058	30	20	HKED	
CCCN(CC#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1	510762346	IJROBEJNGUHPAP-UHFFFAOYSA-N	421.353	5.137	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1-n1ccnc1	510919181	GTSNKWSPOCNUDM-UHFFFAOYSA-N	423.476	5.166	30	20	HKED	
C[C@H](CCc1ccccc1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513879547	FZUCBHVEHSPQRA-HXUWFJFHSA-N	415.512	5.430	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	514147364	KTKMZWDFIZSFRG-IBGZPJMESA-N	414.509	5.427	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccs1)C[C@H]1CCCO1	518256570	GJNFENQSFZKLFS-IAGOWNOFSA-N	415.584	5.355	30	20	HKED	
CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	518516709	TUWRJWKJNZXUMV-HXUWFJFHSA-N	401.491	5.207	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C[C@H](CC(C)(C)C)C(=O)Nc1cc(C#N)ccc1C	522029255	NHUOZULKFGNRTB-HXUWFJFHSA-N	416.525	5.067	30	20	HKED	
N#Cc1cc(NC(=O)c2ncoc2-c2ccccc2Cl)ccc1OCC(F)(F)F	525657631	JAJKMUYSYBAANP-UHFFFAOYSA-N	421.762	5.060	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCCn3ccc4cc(Cl)ccc43)CC2)cc1	527186304	DWXSRVCGACHXSS-UHFFFAOYSA-N	421.928	5.017	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)noc1C	533856189	GEBXRPXZBLKTCB-TZIWHRDSSA-N	422.916	5.873	30	20	HKED	
CC1(C)CCC[C@@H](c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)C1	534563993	XLRWSWNMMNNOIM-MRXNPFEDSA-N	421.501	5.257	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1COc2ccccc21	535102347	WXJYDNXSIYEXRG-OXJNMPFZSA-N	400.503	5.004	30	20	HKED	
CCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCSc2ccc(Br)cc21	535351348	WDNIRQIVLZWMEZ-SFHVURJKSA-N	415.356	5.214	30	20	HKED	
Cc1ccc([C@H](N[C@H](C)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1	540606725	QPMUOBUDLPAGEU-KBMIEXCESA-N	418.562	5.019	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1F)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1	541048772	FULSWYJMKLAOTI-OAHLLOKOSA-N	421.312	5.077	30	20	HKED	
CC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	541066043	YWGRCKMTHYLMKW-QGZVFWFLSA-N	412.493	5.375	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1F	541104307	NZSJHFZLILKWII-UHFFFAOYSA-N	403.429	5.469	30	20	HKED	
CC(C)Oc1c(F)cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1F	543134756	VQCXMVRCOYMBAO-UHFFFAOYSA-N	412.392	5.048	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@@H](c2ccccc2)c2ccc(F)cn2)CC1	544381193	ZWPUWOHZGCWHGJ-OWWUNANSSA-N	401.485	5.162	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	546086509	CXAPPJCQVAYUPN-HUUCEWRRSA-N	400.931	5.439	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(F)(c2ccc(Cl)cc2)CC1	549274921	SMWIYCOZCQVXJF-QFBILLFUSA-N	418.944	5.070	30	20	HKED	
N#Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cnc1C(F)(F)F	549997227	HJJLZEZNYCXOAW-INIZCTEOSA-N	421.831	5.206	30	20	HKED	
Cc1cc(-c2nnc(CN(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)o2)c(C)o1	551075839	ZXJPYDSXFRPPQG-UHFFFAOYSA-N	416.456	5.472	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3ccccn3)CCC2)cc1	553570944	HSXSOAHHRRHVRH-UHFFFAOYSA-N	413.546	5.097	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCn2c(cc3ccccc32)C1	554206792	RFQPXOLSJDCHDD-KRWDZBQOSA-N	404.539	5.331	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)cc1	556321175	VPSYZINSNVWRRD-UIOOFZCWSA-N	424.500	5.593	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H]3CCCCC[C@H]3c3ccc(Cl)cc3)o2)c1	556519750	KWZKUEIIHHFPRO-SFTDATJTSA-N	406.917	5.468	30	20	HKED	
Cc1noc(C)c1C(C)(C)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	558379302	GBLFEFCRCUGHHH-UHFFFAOYSA-N	408.433	5.151	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCC3CCOCC3)cc2)sc2ccc(C#N)cc12	559923321	YDIFAKFADHZUSK-UHFFFAOYSA-N	406.507	5.139	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C1(c2ccc(OC)c(OC)c2)CCC1	568932870	HEAKPSMGHAODMV-UHFFFAOYSA-N	405.947	5.055	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCC(F)(F)F)cc1	577086920	HNKLXHOSENCRPP-UHFFFAOYSA-N	410.440	5.015	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(C)cc1	577104802	CMHMQYLBLBMVPD-FQEVSTJZSA-N	420.582	5.415	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1	578924081	KJQGXRLLAWVHFD-KGLIPLIRSA-N	407.461	5.982	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)o1	579062893	YWEUXVQNNNPKQJ-JOCHJYFZSA-N	416.481	5.796	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C2CC2)c(OC)c1	583334512	WHRBJJAPOZORCI-AWEZNQCLSA-N	413.905	5.061	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccccc2SCc2c(C)noc2C)c1	589553181	YVMKEQHTVKIJSS-UHFFFAOYSA-N	408.523	5.791	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1	605362864	WOUGQXNZGBWPDB-NSHDSACASA-N	412.927	5.508	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(OCC=C(C)C)c2)cc1	607806650	OQRLSNOQKSYLKQ-UHFFFAOYSA-N	404.510	5.098	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C#Cc3cccs3)c2)s1	608273168	IQYHDFYXLKYFGY-INIZCTEOSA-N	409.580	5.700	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1	608995424	PIUGZICBOBZTPK-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)s1	609305323	PRBRKIALQVSJFC-AWEZNQCLSA-N	409.486	5.396	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)o1	609434885	XKFHVOQJXIZNPT-FCEWJHQRSA-N	409.555	5.994	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)s1	610177512	RCRULEDKRMOVLH-QGZVFWFLSA-N	419.550	5.706	30	20	HKED	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cccc(C#Cc2cccs2)c1	610465649	YJEMZOWWMDEHIT-ADKRDUOOSA-N	422.575	5.110	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H]3CCOC3)CC2)cc1Cl	612300593	TZCANSWRBMBITO-DENIHFKCSA-N	423.944	5.276	30	20	HKED	
CC(C)(C#N)c1ccc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1	614055348	DGIPLGVLDIKSRZ-UHFFFAOYSA-N	401.485	5.420	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc2ncsc2c1	614423647	CABXQCUTQAMAIS-AWEZNQCLSA-N	415.478	5.238	30	20	HKED	
O=C(CCc1ccc(-c2ccccc2F)o1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674446084	GZJNLWUCHFTGOU-KBPBESRZSA-N	423.328	5.218	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccc(-c3ccccc3C)s2)C(C)C)c1	726488691	ZJIFLQJFNSTTNI-UHFFFAOYSA-N	404.604	6.312	30	20	HKED	
N#CCCN(CC1CC1)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S	728904462	GPBOTYWLUXGCNK-UHFFFAOYSA-N	415.994	5.433	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730421878	QZRPFHYHVBSDEA-PWSUYJOCSA-N	408.376	5.098	30	20	HKED	
C#CCOc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1	730983110	VBTVNPVXCWSMLN-UHFFFAOYSA-N	415.276	5.232	30	20	HKED	
C[C@H](C#N)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1	731298504	JOHRNJDSMNSVAZ-IVZQSRNASA-N	403.869	5.402	30	20	HKED	
Cc1ccc(Cl)c(NC(=S)Nc2ccccc2S[C@H](C)CC#N)c1Cl	731322060	TZBUYFOFKLJKAR-GFCCVEGCSA-N	410.395	6.505	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@H](O)c3ccc4ccccc4c3)c2)c1	731452647	HLFNIOCFXBPBOL-MHZLTWQESA-N	408.501	5.114	30	20	HKED	
COc1ccc(O)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	734063093	WKKAZLYOEGPDPA-FQEVSTJZSA-N	421.884	5.031	30	20	HKED	
C=CC[C@@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccncc1	734236402	XBJJUCBUNHPVRA-CYBMUJFWSA-N	411.741	6.304	30	20	HKED	
CCC[C@@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccccc1	735320255	OKPGIAJOSCRRGR-LJQANCHMSA-N	402.947	5.133	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	738894449	FFFVFHYMVFAARF-ROSOWXQZSA-N	409.533	6.060	30	20	HKED	
N#Cc1ccc(-c2cccc(CN[C@@H](C(=O)N3CCCCC3)c3ccccc3)c2)s1	739999968	NZWWCHLUEUVPKF-XMMPIXPASA-N	415.562	5.130	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccc(O[C@H](C#N)CC)c2)o1	740479161	OFHRYMOXPYMDFI-UNMCSNQZSA-N	409.530	5.350	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1nnc(-c2ccccc2Cl)o1	742969838	DCMWDWSZUBZRJM-UHFFFAOYSA-N	406.294	5.379	30	20	HKED	
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C12CCCC2	743094854	CTFUTOLGIZJIIZ-YTFSRNRJSA-N	403.526	5.201	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3c(CC)cccc3CC)o2)cc1	744029742	UTYGWCIAFFUNLX-OAQYLSRUSA-N	414.505	5.595	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)ccc3N(C)C(C)C)n2)cc1	744063221	ZDSAFYAZSYEZEQ-HXUWFJFHSA-N	419.550	5.462	30	20	HKED	
CC(=O)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	745313514	OSYMLAIKBUPMKN-AUUYWEPGSA-N	424.909	5.310	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	747197978	QORLVVHEDJQOLS-OAHLLOKOSA-N	411.596	6.102	30	20	HKED	
N#Cc1cccc(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1	747762894	FNHKYJQYRAFRJF-UHFFFAOYSA-N	403.941	5.163	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NCCNc2ccc(C#N)cn2)cc1	752714393	ARGQLALUYYNXQA-KRWDZBQOSA-N	417.538	5.040	30	20	HKED	
N#Cc1ccc(C(=O)N(c2cccc(Br)c2)C2CCCCC2)nc1Cl	753013144	QEEVGDYMDKMTSL-UHFFFAOYSA-N	418.722	5.349	30	20	HKED	
CCc1ccc([C@@H](NCc2cccc(O[C@@H](C#N)CC)c2)c2ccc([N+](=O)[O-])cc2)o1	753678560	KNFCBOAHXKNXRB-QPPBQGQZSA-N	419.481	5.310	30	20	HKED	
C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1	758906972	FVRLHXXPBYDQOP-QGZVFWFLSA-N	424.497	5.370	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1Cl	768284485	ARLQAOFDWCVXCP-HNNXBMFYSA-N	401.816	5.331	30	20	HKED	
CCN(C(=O)Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1)c1ccccc1	770525448	WPVWIYHKPVOTFU-HXUWFJFHSA-N	413.521	5.185	30	20	HKED	
Cc1csc(CCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1	774054833	MQYANKGXMLKLQP-GOWZHPGHSA-N	411.596	5.185	30	20	HKED	
CCCCCCCCCNC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2	777713592	KUZAKSILUJURDR-VXKWHMMOSA-N	413.606	5.214	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)on1	778238781	TWYWBGCFHKDDFK-KRWDZBQOSA-N	413.477	5.257	30	20	HKED	
C/C(=C/c1ccc(C)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	779197618	YMGPTJMTBAOVRM-XGHSKXIFSA-N	410.473	5.538	30	20	HKED	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	783090340	UJXGBVKQMZDEBO-QMTHXVAHSA-N	408.376	5.098	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccccc2)o1	784834488	DYLFGYQEYYOLOJ-INIZCTEOSA-N	412.417	5.222	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1	790527843	LQMXWBXUTROCEG-UHFFFAOYSA-N	419.525	5.029	30	20	HKED	
COc1cc(/C=C\c2nc3cc(Br)cc(Cl)c3o2)ccc1OCC#N	792917139	IICUTQYFAISWNV-HYXAFXHYSA-N	419.662	5.325	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794708260	QRHYJGLOVPFACJ-YHYXMXQVSA-N	402.420	5.181	30	20	HKED	
C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)[C@@H]1c1ccccc1	797549461	KKUVCVCESXKSHP-GITXURBOSA-N	400.425	5.541	30	20	HKED	
N#C[C@H](C(=O)/C=C\Sc1cc(F)ccc1F)c1nc2ccccc2n1C(F)F	797943525	SAMWNPSCPVXQFB-QDZRJHCZSA-N	405.376	5.192	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cnn(C4CCCC4)c3)c2)cc1	799895615	JJKTZRGRAOHUMO-NTEUORMPSA-N	415.493	5.155	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	904507660	DWMCIEKIUQFAPR-UHFFFAOYSA-N	419.412	5.303	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1	915087178	RHEMCNUZOBYHQR-HSZRJFAPSA-N	407.473	5.568	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1ccc(C(C)C)cc1	916902635	HUIPVGLMMRTAGT-GOSISDBHSA-N	412.917	5.061	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(Br)c1	917025519	MIIXZLCLLWDWHG-DOOKAGJSSA-N	423.335	5.771	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Oc3ccccc3)c(F)c2)ccc1OCC#N	917145203	VDRRHYLMZDNEHO-YFHOEESVSA-N	403.409	5.425	30	20	HKED	
Cc1cc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c(C)n1C1CCCCC1	918035748	GABIPRTXRLIXGU-QQBSYFJQSA-N	419.525	5.065	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N	920019074	ZAANPCFFOHRYKA-UHFFFAOYSA-N	422.444	5.475	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)[C@@H](C#N)c1nc(C(=O)OCC)cs1	920326881	BZBXLNBKHGNFTL-WFTPILKQSA-N	422.506	5.298	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccccc2)CCCC1)c1nc(-c2c(F)cccc2F)cs1	920806664	NCWGMUZDDBKNQB-INIZCTEOSA-N	408.473	5.777	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(C)n3)cc2)CCC1	1786208443	JUMQYIRBGKNZHC-UHFFFAOYSA-N	419.569	5.059	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)Oc3ccccc3)cc2)CCC1	1791146514	IJIQKXCREFMLCG-WOJBJXKFSA-N	420.553	5.190	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2C2CCCC2)cc1	7201709	SEKKZIGNFKCEPK-QGZVFWFLSA-N	407.587	5.893	30	20	HKED	
COCc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	56623297	IJVGWVQYJAFPMQ-UHFFFAOYSA-N	401.466	5.127	30	20	HKED	
CCN(CC)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccco1	60156872	RAADTJOXDDNOFD-HXUWFJFHSA-N	419.550	5.115	30	20	HKED	
Cc1sc2nc([C@H](C)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[nH]c(=O)c2c1C	72040940	FOJVCGSAAMVXJW-AWEZNQCLSA-N	416.506	5.439	30	20	HKED	
COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H](Sc2ccccc2)c2ccccc2)n1	78402282	VCBMMWUMHDQBNZ-FQEVSTJZSA-N	416.506	5.602	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1SCCC#N)O[C@@H](C)C2	97553825	BQGWIOUFHHYUSB-SCOAYWHSSA-N	408.523	5.066	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1Cc1ccccc1	195664306	WPEMXLLZQTURRZ-MRXNPFEDSA-N	420.925	5.247	30	20	HKED	
COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc(OC)c1	212592640	AIPXSMOKVOXEHX-XSFVSMFZSA-N	401.487	5.737	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(Br)sc2Br)ccc1Cl	227266979	OOAJZKXVZJGWPG-UHFFFAOYSA-N	420.513	5.050	30	20	HKED	
COc1ccc(CNCc2ccccc2-c2ccc(Cl)cc2)cc1OCCCC#N	237447048	YUKBSJNJNOUBJZ-UHFFFAOYSA-N	420.940	5.988	30	20	HKED	
C[C@@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)c1cccc(C#N)c1	301468210	YZPJGQOVCZHCAD-CQSZACIVSA-N	412.522	5.072	30	20	HKED	
C=CCN(C(=O)Cc1cccc(Br)c1)c1nc(-c2ccccc2)cs1	303129598	OXOWQRWCFCZVLP-UHFFFAOYSA-N	413.340	5.334	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCCC3CCOCC3)cc2Cl)c1	409646979	VCWZIVJJVOWNDI-UHFFFAOYSA-N	412.917	5.326	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(COC3CCCC3)cc2)c1-c1ccccc1	428655532	YIJLHONKVGDVSE-UHFFFAOYSA-N	414.509	5.175	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)c2cccc(SCC#N)c2)c(C(F)(F)F)c1	429802259	YCSUCSYWLWJORX-UHFFFAOYSA-N	408.445	5.038	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c1	430366747	KBHONERXMFMURB-UHFFFAOYSA-N	409.820	5.411	30	20	HKED	
CCCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1ccc(F)cc1)c1cccnc1	430595269	TVVYTBPCZZEZQJ-QHCPKHFHSA-N	419.525	5.478	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)C	431364325	URRMBYKJNWASIE-UTKZUKDTSA-N	423.582	5.231	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Br)cc1	431931151	NAOPIFRLGVWKIL-NSHDSACASA-N	409.230	5.054	30	20	HKED	
C[C@@]12CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]1C2(F)F	432476190	MAFFBSIBNTVYGJ-WCQYABFASA-N	402.285	5.233	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)N[C@H](CCCC#N)c2ccccc2)s1	433182086	ZLWWQQTVIPBOQT-VQTJNVASSA-N	419.554	5.637	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C#N)c3cnn(C(C)C)c3n2)s1	433990981	SYRRTIGJCVCSAB-UHFFFAOYSA-N	419.485	5.312	30	20	HKED	
CC(C)(CO)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccs1	436506609	WUGIXODGGRRPBC-NRFANRHFSA-N	421.522	5.293	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccccc1	437407042	CLHFJOVKZCJTCL-KSNOWIBYSA-N	422.569	5.319	30	20	HKED	
Cc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cccc1OCC(F)(F)F	437948214	BOGLRSQBHRQKLL-MJGOQNOKSA-N	417.431	5.240	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCS[C@@H](C(C)C)C1	437964922	QWVQONLHRLNTND-JOCHJYFZSA-N	409.555	5.051	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@H]1c1ccnn1C	439361340	SQSRQGNVBDLXMJ-QHCPKHFHSA-N	415.497	5.152	30	20	HKED	
Cc1cccc(C(NCC(=O)Nc2ccccc2SCC#N)c2cccc(C)c2)c1	439550264	LQKSAVQDHVNKOF-UHFFFAOYSA-N	415.562	5.237	30	20	HKED	
N#C[C@H](C(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1nc(-c2ccccc2)cs1	442504996	GHRHBPXCPOCYNK-CYBMUJFWSA-N	413.289	5.255	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c2ccccc21	443904366	FMMDSTPRCWEKAE-UHFFFAOYSA-N	411.509	5.273	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c2ccccc21	444151321	TUPUHPSACPURBN-UHFFFAOYSA-N	409.493	5.260	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Nc1ccccc1SC[C@H](C)C#N	444903740	YHSUMDMETLNZJO-KDOFPFPSSA-N	421.488	6.062	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Nc1ccccc1SC[C@@H](C)C#N	444903741	YHSUMDMETLNZJO-KSSFIOAISA-N	421.488	6.062	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1cccs1	460372462	BVWSYDFMVFDMAE-AEFFLSMTSA-N	412.534	5.536	30	20	HKED	
N#CCCCOc1cccc(CN[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	463703204	DHHAKNJSSPRWSY-NRFANRHFSA-N	421.541	5.799	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1C	464470589	VYEHFIPVYLZMOA-FQEVSTJZSA-N	422.406	5.438	30	20	HKED	
CC[C@H](C)[C@H](NC(=O)N(CCOC)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	466067545	NILSIFGNTZRUHT-JTSKRJEESA-N	413.949	5.157	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1	466309844	WEJZMPQUDMOGGC-QHCPKHFHSA-N	402.881	5.092	30	20	HKED	
CCSCC[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	467032686	ILSHYABPQLUZMS-KXBFYZLASA-N	401.963	5.649	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C2(Cc3ccccc3F)CC2)cc1	468123064	ZZRQSFXHWWPXAY-UHFFFAOYSA-N	414.480	5.432	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCCC[C@H]2c2ncon2)c1	469820260	KCUMHOUZGRUACC-IBGZPJMESA-N	422.872	5.144	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)s1	470559530	PSPGFFSYJXZTRD-FQEVSTJZSA-N	422.554	5.009	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Cc1csc(COc2ccc(C)cc2)n1	470645938	SKUHXEJWQDRTAV-UHFFFAOYSA-N	406.551	5.178	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)o1	471359271	WQHIIQNIYDKDLZ-UHFFFAOYSA-N	405.216	5.897	30	20	HKED	
COCCCC[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1	472458249	XECGTQLHUHEYFR-SGNDLWITSA-N	405.542	5.026	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	475393033	SWJGMRKXMGHQFR-UHFFFAOYSA-N	418.468	5.467	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1	475558084	HGRSBHPQKZPNBF-MRXNPFEDSA-N	412.530	5.447	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1	476120193	UOVPFRLYWFYZCO-UHFFFAOYSA-N	413.517	5.787	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccccc1	476704407	SLOIMWOUQKLLRH-QUCCMNQESA-N	419.525	5.530	30	20	HKED	
C=C(C)[C@@H](N[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)c(F)c1	481630436	WNLZSYAMJFKWMR-BBATYDOGSA-N	424.278	6.290	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482411517	JLFVNUWECYTDML-FVMDXXJSSA-N	408.317	5.249	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C	483460249	POSSFBJFLUZYIJ-UHFFFAOYSA-N	420.561	5.383	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)c2)cc1	483583230	YJDULSHJNVHCNJ-UHFFFAOYSA-N	423.428	5.448	30	20	HKED	
CC(C)c1c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1	485140736	XTWGALLOQTVZST-OAHLLOKOSA-N	407.905	5.403	30	20	HKED	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	485974321	CTAVIKLBLACCHC-UYAOXDASSA-N	415.537	5.198	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1Nc1c(F)cccc1F	486077604	NVCIPQAZMHPFJL-UHFFFAOYSA-N	424.476	5.375	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(F)c(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1	486174954	QIZAOOGXFJAGHN-QFIPXVFZSA-N	414.402	5.604	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1	487486627	PHYBMWBVGUBKEQ-MRXNPFEDSA-N	415.971	5.619	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1	488931461	ASEZHFXVDMOFLI-OAQYLSRUSA-N	420.578	5.462	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cc1	503980639	OLALEVMMCXQJOE-UHFFFAOYSA-N	422.484	5.483	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	505044995	FYABCJOXFLKXPP-HNNXBMFYSA-N	409.477	5.692	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(Cl)s2)cc1	508274577	CWQVYHHPRNYSLR-UHFFFAOYSA-N	413.886	5.396	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)cc1	508300535	MPRXXEKFPCJGRG-OAQYLSRUSA-N	416.481	5.067	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Nc4ccccc4)c3)o2)cc1	511455251	BRBFIHQYKJDYLK-UHFFFAOYSA-N	409.445	5.726	30	20	HKED	
COc1ccc(CNc2ccc(N3CCCCCC3)cc2C)cc1OCCCC#N	512868804	ITUNMOKOKADBSE-UHFFFAOYSA-N	407.558	5.679	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1	513551799	UGEBWTPTQHWRBN-GOSISDBHSA-N	419.550	5.060	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1	515117984	ORUQHAKLAZQICS-UHFFFAOYSA-N	404.539	5.509	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1nccs1	515542885	DQMCQUWKYOAUBQ-KRWDZBQOSA-N	404.520	5.164	30	20	HKED	
C=CCOCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1	517163595	NWOHLFDIJCZYOG-UHFFFAOYSA-N	416.905	5.338	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc3c(s2)CCCC3)cc1	517413697	HOKQHLPZJUARDD-UHFFFAOYSA-N	418.587	5.721	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	517466787	VDOUCFLIGLAWNF-BFUOFWGJSA-N	408.304	5.217	30	20	HKED	
Cn1c([C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)nc2ccccc21	518472848	BTIIXPGNXVBETI-HSZRJFAPSA-N	423.520	5.286	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1	519515794	WXXRUIPFRGNJRC-IBGZPJMESA-N	400.547	6.242	30	20	HKED	
Cc1cc(CNC(=O)N(C)C[C@H](C)C#N)ccc1Oc1ccc(Cl)cc1Cl	521088545	PMUDABJQTLJPKB-CYBMUJFWSA-N	406.313	5.395	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1	521821591	LDYMEKCMMYUQAO-OAHLLOKOSA-N	423.866	5.298	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1C(F)(F)F	521931108	QPWHXGBZXAJDSO-OAHLLOKOSA-N	416.378	5.150	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)c2)cc1	522303290	XWUSIBWTHYMANG-QFIPXVFZSA-N	416.908	5.420	30	20	HKED	
COc1cc(CSc2ncnc3ccsc23)ccc1OCc1cccc(C#N)c1	523932284	JZPNZSIYRZYJFO-UHFFFAOYSA-N	419.531	5.443	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc4ccccc4c3)c2)c1	524702964	YPCAOPAXDWBKOK-UHFFFAOYSA-N	420.472	5.285	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc2ccsc2c1	525665627	QQJZSFXDEHZIEF-UHFFFAOYSA-N	401.466	5.463	30	20	HKED	
COc1ccc(CNc2ccc3oc(C(F)(F)F)nc3c2)cc1OCCCC#N	532728211	ICYSLJHPXSNGSV-UHFFFAOYSA-N	405.376	5.150	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccccc1	535434965	GXAWZBJPYUIABM-MRXNPFEDSA-N	424.953	5.630	30	20	HKED	
CCOc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc(OCC)c1OCC	536011003	WXJLUUOXGJPHGG-UHFFFAOYSA-N	416.543	5.366	30	20	HKED	
CCOc1ccc([C@@H](NCCCC2(C#N)CCOCC2)c2cccc(Cl)c2)cc1	537508228	FJZKPHBHUKOVPV-HSZRJFAPSA-N	412.961	5.518	30	20	HKED	
CSc1cccc([C@H](NCCCC2(C#N)CCOCC2)c2cc(F)ccc2F)c1	538609981	IZVXDDRCVSEXRU-QFIPXVFZSA-N	416.537	5.466	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	549604216	JQPVSHQOQBXUNY-VIFPVBQESA-N	402.203	5.112	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1csc(-c3ccc(Cl)cc3Cl)n1)CC2	550153878	IDRZMELNFBLQRK-UHFFFAOYSA-N	400.290	5.191	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCSc2ccc(Cl)cc21	553665088	JLJQCTJSIZUGJH-BBRMVZONSA-N	417.987	6.093	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)sc2ccc(C#N)cc12	555979574	ZUDVHEIWPWFBNI-HNNXBMFYSA-N	400.290	5.383	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C	558852004	DBADSTWTCJUFIC-UHFFFAOYSA-N	414.509	5.381	30	20	HKED	
C=CCN(C(=O)c1cnccc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	564589529	HNWPFNFGJRNKEV-UHFFFAOYSA-N	411.530	6.013	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)c2cnn(C(C)C)c2n1	573351859	IVHBQKHXNIFGNG-UHFFFAOYSA-N	409.493	5.039	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H](C1CC1)C(F)(F)F	575948904	GOOIQFBQLCSEFT-GFCCVEGCSA-N	422.291	5.207	30	20	HKED	
Cc1csc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C#N	581096061	HLVROMWFUASBBM-IBGZPJMESA-N	423.925	5.082	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1Br	582365056	FZAPFJSNNVVIRE-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)c1	589553005	UDKNUTKXWIPTGD-UHFFFAOYSA-N	418.493	5.267	30	20	HKED	
CCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OCC	603622031	HMSZYFFNKHDCEV-UHFFFAOYSA-N	417.465	5.185	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603689357	IOMBBFYSKVXHDR-KRWDZBQOSA-N	416.481	5.415	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4cccnc4)cc3)cn2)cc1	604434227	DJUBRRIWOOUMRS-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	607305809	RWAZFJLVGKGSRP-NEPJUHHUSA-N	407.285	5.485	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)oc2ccc(F)cc12	609104358	VSIHNALADUYZCN-UHFFFAOYSA-N	418.399	5.722	30	20	HKED	
CCOc1ccc(-c2nc(NC(=O)c3cc4ccccc4n3CC#N)sc2C)cc1	609161287	YKTNIVFIEMZMAV-UHFFFAOYSA-N	416.506	5.248	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)n1CC(F)(F)F	609177039	ZVVIMPQVOXIZQR-UHFFFAOYSA-N	413.399	5.584	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)cn1	609643287	OXZZBKSRJQKZGL-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(C(F)(F)F)cc1	615500550	WHSVTHIVNAWOIL-SNVBAGLBSA-N	401.215	5.417	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1cccc(C#N)c1	619529955	HZWFRKXUWPAARY-YJYMSZOUSA-N	416.294	5.068	30	20	HKED	
CC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	642281551	JECVECCMWCMQLQ-GFCCVEGCSA-N	421.330	5.871	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	670062801	IONBVAZBUSIKPP-OCAPTIKFSA-N	424.263	5.022	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)s1)c1nc(-c2ccc(Cl)cc2)cs1	671751135	OIPJPGMXVBRHPM-LLVKDONJSA-N	412.845	6.034	30	20	HKED	
CSc1cccc(F)c1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684892131	WCRJWRBVHJSTHT-RKDXNWHRSA-N	403.363	5.187	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)c1	726445075	SJYIQEALYAFGIU-UHFFFAOYSA-N	416.546	5.084	30	20	HKED	
CN(Cc1ccccc1)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726471127	FZDHCMNTCXOXSW-UHFFFAOYSA-N	406.942	5.657	30	20	HKED	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727727851	KMYMKJNDRJWEII-SQJMNOBHSA-N	421.541	5.364	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)c1	729070802	YLAYZNXTOQOYSY-JOCHJYFZSA-N	418.880	5.189	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)c2ccccc2)c1	730686795	POMTYOCIFXKPOO-NVQXNPDNSA-N	423.516	5.693	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	731589592	ZJBSUSNONSZISU-YGMDYZATSA-N	421.500	5.187	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)OCc2coc(-c3cccc(Cl)c3)n2)c1	732397310	PDPWUQLYNFEBPP-UHFFFAOYSA-N	410.857	5.159	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2cc(-c3ccccc3)ccc2O)ccc1OC	733330410	XRWSJNMYBMLFAV-QFIPXVFZSA-N	402.494	5.039	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(Cl)c2SC(F)F)c1	733632047	OLMJNFUAFFYTNM-UHFFFAOYSA-N	411.861	5.981	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C)c1ccncc1	734680129	QYJJPFDIUHYUGZ-QFIPXVFZSA-N	423.557	6.187	30	20	HKED	
Fc1cc(F)c(NN=Cc2ccccc2OCc2ccncc2)c(Br)c1	741772118	PIBOQVIYXVDVAJ-UHFFFAOYSA-N	418.241	5.147	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccnc2SC(F)F)cc1F	742963248	QZMZJEVXAIFZBZ-UHFFFAOYSA-N	415.396	5.452	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1SCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	744034298	GGBGQRFZXRAQMR-YLJYHZDGSA-N	410.951	5.670	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)s1	744115358	HXBOJHYRJZEALW-WPRPVWTQSA-N	409.305	5.239	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	744116560	RQELDPCSKBDSON-FPOVZHCZSA-N	414.505	6.028	30	20	HKED	
CC(C)Cc1nc(C#N)c(NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)o1	745613462	ULLJKAVOLFTCSQ-UHFFFAOYSA-N	410.909	5.153	30	20	HKED	
C=CCOc1ccccc1C(=O)O[C@H](C)c1ccccc1NC(=O)c1ccccc1	748022098	XXCVAQGWLBKHPV-GOSISDBHSA-N	401.462	5.422	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F	749025455	MTDJLUATHGERIM-CQSZACIVSA-N	418.241	5.003	30	20	HKED	
CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(C#N)cc1	749150357	KSXVNXHMHFJMGE-UHFFFAOYSA-N	415.543	5.737	30	20	HKED	
N#Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)s1	750395608	QOHZVTTUWJDETQ-UHFFFAOYSA-N	424.092	5.029	30	20	HKED	
O=C(Nc1cccc(C=NOc2ccccc2C(F)(F)F)c1)c1ccc(Cl)cc1	754712239	HQBBSLCPRIBCMH-UHFFFAOYSA-N	418.802	6.024	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccco2)s1	766255013	MRJOITFSOPZKEW-ZDUSSCGKSA-N	405.262	5.276	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1c(F)cccc1Cl	767783404	YQOTXUZHKCLAON-UHFFFAOYSA-N	423.801	5.576	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1	770338198	UXYSMLYZIPUTEE-JXFKEZNVSA-N	400.954	5.129	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	773767379	CPVGFSZJJKJYAN-CRAIPNDOSA-N	423.875	5.045	30	20	HKED	
N#CCC1CCN(Cn2nc(Cc3ccccc3)n(C3CCCCC3)c2=S)CC1	781572147	NXWALPOJXSTDFM-UHFFFAOYSA-N	409.603	5.093	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCCCC(C)(C)C#N	782931267	BLQAPHRVRHWBDG-UHFFFAOYSA-N	404.919	5.449	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)o1	786210987	PLQJLMLIKKNDIW-UHFFFAOYSA-N	416.521	5.348	30	20	HKED	
C[C@]12CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C[C@@H]1C2(Cl)Cl	791209890	UTDLKIABTHAQGY-FPOVZHCZSA-N	415.320	5.201	30	20	HKED	
C=CCN(C(=O)C[C@@H]1CCC(F)(F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	798211743	KAULCWSOEDJWAF-ZDUSSCGKSA-N	407.442	5.063	30	20	HKED	
Cc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C#N	799548745	BTDPXUJACLMPNG-LLVKDONJSA-N	402.237	5.142	30	20	HKED	
N#C[C@H](COC(=O)c1coc(C2CCCCC2)n1)Cc1ccccc1Br	802231105	XYRLSPURJSOKEC-CQSZACIVSA-N	417.303	5.024	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	805865228	WHOVHJVJSADVSG-ZHRRBRCNSA-N	422.513	5.285	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1	808843775	TYUBGTWEPJSZAT-CQSZACIVSA-N	418.324	5.696	30	20	HKED	
N#C[C@@H](C(=O)CCCn1ccc2cc(Cl)ccc21)c1cc(C(F)(F)F)ccn1	813214007	SAALFYIGMXWCQM-MRXNPFEDSA-N	405.807	5.365	30	20	HKED	
CCCCCCCCOCc1cccc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1	814622443	NCMHCEWLKSUECO-DEOSSOPVSA-N	401.595	5.123	30	20	HKED	
C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(C(F)(F)F)nc1Cl	820596812	WGOICMIYDWVRSR-SECBINFHSA-N	421.766	5.255	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2ccc(Cl)cc2)c1=S	914566675	AOTGWDDNAATIBI-IBGZPJMESA-N	411.962	5.110	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1	915088418	QEMCYQLINNOCGI-LOSJGSFVSA-N	412.489	5.152	30	20	HKED	
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1c[nH]c2ccccc12	915271482	XCELHPZHCZHGDX-SEYXRHQNSA-N	404.473	5.371	30	20	HKED	
FC(F)(F)c1nc(NN=Cc2ccccc2OCc2cccnc2)c2ccccc2n1	915953949	HGISBBMLRKOODN-UHFFFAOYSA-N	423.398	5.069	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNC(=S)Nc2ccccc2C#N)cc1	916025110	NYQLMXXDPCRYHO-UHFFFAOYSA-N	418.522	5.021	30	20	HKED	
N#C[C@@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc2ccccc2s1	916627283	KFTHFEHOZQBVKP-WBILKINKSA-N	404.491	5.914	30	20	HKED	
CSCc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)oc2ccccc12	916916688	ZVXYJWAZZPJEQN-SFHVURJKSA-N	414.486	5.410	30	20	HKED	
CC(=NOCc1csc(Br)c1)c1nc2ccccc2n1C(F)F	917395708	CCSTUSDHYAETHJ-UHFFFAOYSA-N	400.248	5.196	30	20	HKED	
Fc1ccc(NC(=S)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	918722053	VRARZFNDEDNLMD-HTQZYQBOSA-N	408.770	5.239	30	20	HKED	
CN(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc2ccccc2s1	919747010	XDYOABRJPIVGBN-FQEVSTJZSA-N	412.518	5.027	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c(C)n1[C@@H](C)c1ccccc1	919864610	QEBIZUUECIMJMT-SFHVURJKSA-N	401.510	5.625	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1	920106449	ZIWBFEFAUMEORE-MRXNPFEDSA-N	419.893	5.459	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)s1)c1nc(-c2c(F)cccc2F)cs1	920805314	BRSVXQMMLAREJV-MALLOTDXSA-N	406.866	5.693	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Cl)c3)CCC2)cc1	1789453393	ZMUHAGFLIIIGFM-HXUWFJFHSA-N	423.944	5.251	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2C)CC1	1829066871	YBUDEGDMQFIYRG-OAQYLSRUSA-N	416.631	5.282	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(C)c1	22010875	BLHBNYZDEPLWEC-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1	25839958	GNVAOEWUSNSNGB-UHFFFAOYSA-N	407.473	6.062	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1	26384035	UEVCMLJFGVOWRB-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
C=CCc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC	31391774	KMYVLFGZLJPFKW-SFHVURJKSA-N	408.523	5.019	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)n1	32331665	BCYPFKKOACXYAF-INIZCTEOSA-N	409.342	5.027	30	20	HKED	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1Sc1ccccc1C#N	58245842	ZOIORNQYGVZXCY-UHFFFAOYSA-N	424.529	5.167	30	20	HKED	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	58685257	IBKGBQKNCKDADU-JLTOFOAXSA-N	406.917	5.088	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	60625066	XVKOBVBTDDWNEB-UHFFFAOYSA-N	421.953	5.583	30	20	HKED	
Cc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F	65028734	GBVQBHMWQBVMEL-UHFFFAOYSA-N	405.448	5.057	30	20	HKED	
CC(C)CCOC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1	195635667	WUJQCLUYACCGQQ-UHFFFAOYSA-N	407.514	5.410	30	20	HKED	
CCOc1ccc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1OC	236847825	QETIDFCJKXBFQY-IBGZPJMESA-N	416.521	5.395	30	20	HKED	
CC[C@H](C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	255949594	MQXGVOKBTGUARJ-HNAYVOBHSA-N	422.579	5.470	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)oc2c1ccc1ccccc12	303297374	NVFPANYIQMPFSO-OAHLLOKOSA-N	400.503	6.399	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1	303502052	VETGRJPEZSTNMJ-MRXNPFEDSA-N	420.538	5.233	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303668838	JCWDLYFDKAVDCS-WDEREUQCSA-N	419.287	5.152	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1	410355592	RNGLKSIEBWXJSS-UHFFFAOYSA-N	402.469	5.757	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)n[nH]2)c(C)c1	426521370	HBURCZFVKUTCSZ-IBGZPJMESA-N	423.501	5.179	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)c1ccccc1	431930164	DCNHDIHIWPBWEP-OALUTQOASA-N	402.325	5.715	30	20	HKED	
COC(=O)c1cccc(-c2nc(CN[C@H](CCCC#N)c3ccccc3)cs2)c1	433010727	LITVZKFZPFTTTO-OAQYLSRUSA-N	405.523	5.121	30	20	HKED	
N#CCCC[C@@H](NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1	433029183	RCZNFXOORDFHOK-GOSISDBHSA-N	411.303	5.024	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1	435006045	UXHFYLNUHOABDG-HNNXBMFYSA-N	405.498	5.038	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	437535703	MFZPWSCBSWMRPG-IHPCNDPISA-N	401.432	5.296	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(-n2cccn2)cc1	438042181	OSKRIFGAWVAJDS-SJORKVTESA-N	405.527	5.007	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	438638446	RVUXKHLNXUCTNA-UHFFFAOYSA-N	420.900	5.843	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438666335	UCNVDVZVABTXEX-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccc(C#N)cc1Cl	439078220	LDPZUZORCUMVLJ-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2c2ccc(C)s2)cnn1-c1cccc(C#N)c1	439665989	NJXMNYYYZIXZGY-OAQYLSRUSA-N	419.554	5.435	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1N[C@@H]1CCO[C@H](c2ccccc2)C1	440681627	UGVVQFAEXNZWFS-APWZRJJASA-N	408.299	5.201	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CCOCC2)CC1	460375396	PAWKCILIPRTRGZ-OAQYLSRUSA-N	424.589	5.008	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	462009830	DNDMIZFBYLLVQO-CYBMUJFWSA-N	405.857	5.687	30	20	HKED	
C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1cccc(C#N)c1	462415389	OBVIOJKUPRQUNK-CSWVRBLFSA-N	421.972	5.045	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	464295469	LJPQIRHVIHBKAI-IERDGZPVSA-N	404.441	5.093	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464410035	LVOAPACDTYASMD-ZDUSSCGKSA-N	419.790	5.461	30	20	HKED	
O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1CCC[C@H](C(F)(F)F)C1	464724060	PKWLACACAZCJDW-MNOVXSKESA-N	423.332	5.337	30	20	HKED	
CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	467021640	GKHKUZYINYOZFC-GMAHTHKFSA-N	423.582	5.470	30	20	HKED	
CC(C)CO[C@H](C)c1noc(CNc2ccc(Oc3ccccc3C#N)c(F)c2)n1	467271763	SGMRPINICJOQFL-OAHLLOKOSA-N	410.449	5.218	30	20	HKED	
COc1ccc(CSc2nnc(SCc3cc(F)ccc3C#N)s2)cc1	469103639	YXERIRVFUQITDC-UHFFFAOYSA-N	403.529	5.142	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCCC[C@@H]2c2ncon2)c1	469565101	JUQDYRAXDSWCSY-LJQANCHMSA-N	422.872	5.144	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1	472057526	JLGFRFOUSWJPEJ-KRWDZBQOSA-N	408.477	5.033	30	20	HKED	
Cc1occc1C(=O)Nc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1F	474911508	PHXZQXPVAHULAV-KRWDZBQOSA-N	405.429	5.006	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cc2cccc(F)c2o1	475099640	YDDYKNXQVKCTNN-AWEZNQCLSA-N	404.397	5.107	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1	475493294	NZLOMWZYGKDLPC-UHFFFAOYSA-N	417.456	6.124	30	20	HKED	
CSc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl	475977481	ONDDTXBONQSHSB-UHFFFAOYSA-N	401.919	5.009	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1	476124245	SSKKDXQUNQMUFT-UHFFFAOYSA-N	410.521	5.584	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1	477037517	ZIZSYRFHEXKDRN-UHFFFAOYSA-N	420.517	5.002	30	20	HKED	
CC(C)n1c(CCNC(=O)c2ccccc2Oc2ccccc2C#N)nc2ccccc21	477431462	UIJIWDREYNLZJP-UHFFFAOYSA-N	424.504	5.254	30	20	HKED	
CC1(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[C@H]1C(F)(F)F	479551873	MXSDKRKMWWOJKZ-MRXNPFEDSA-N	422.476	5.048	30	20	HKED	
CCc1c(NCc2ccc(OC)c(OCCCC#N)c2)cnn1-c1cccc(C)c1	480481660	YQDONICYBGQPQR-UHFFFAOYSA-N	404.514	5.046	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(F)(F)F	480661102	RPBGARURBBNNPW-LBPRGKRZSA-N	411.811	5.111	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C	482805751	WOLCGAMHAMIMOM-AWEZNQCLSA-N	408.889	5.732	30	20	HKED	
CC(C)CCn1ncc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1C(C)C	487624663	FFQOIICIVRVNGU-UHFFFAOYSA-N	409.578	5.614	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2cc3ccccc3o2)cc1	488011303	SQJGOLTVMSGMKU-UHFFFAOYSA-N	412.464	5.605	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4cccs4)o3)o2)cc1	489807121	JOWNEMCCRJWANY-GFCCVEGCSA-N	412.496	5.266	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3ccccn3)n2)ccc1Oc1ccccc1	490577259	FXLGWWSTDDQMIP-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1	494020360	MUHMDASQQKBFLK-PMACEKPBSA-N	421.294	5.251	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1	499100177	KHXZGSCFJXIRIF-UHFFFAOYSA-N	401.491	5.480	30	20	HKED	
CC(C)Cn1ncc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1C(C)C	499989703	SUYVHNNWZWSGME-UHFFFAOYSA-N	423.561	5.046	30	20	HKED	
COCc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	500875516	LOKNJUOHNNSYCW-JOCHJYFZSA-N	419.912	5.464	30	20	HKED	
CCC[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	503152509	ODSDLFVZWKXKEP-ZFWWWQNUSA-N	400.466	5.245	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1	506638936	WVMZIKXHCGIAKN-QGZVFWFLSA-N	417.336	5.065	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)s2)cc1	509649663	MNEXSWFYITZCAY-FQEVSTJZSA-N	422.941	5.628	30	20	HKED	
CCCC[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1	509651032	JMHFORDSQWQZLL-DEOSSOPVSA-N	421.541	5.051	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	510007218	TXFNOMRTHKSBLU-QFIPXVFZSA-N	419.912	5.668	30	20	HKED	
CCCN(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	510228100	BKYXIXHWTSQLRM-UHFFFAOYSA-N	423.567	5.146	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510675711	SGHZQQMOFQITMB-FQEVSTJZSA-N	403.507	5.953	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1	513159729	JJKWPQHDYIFBNN-FQEVSTJZSA-N	422.406	5.438	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cnn1-c1cccc(Cl)c1	513652920	CIXKCWDRRJSJID-HNNXBMFYSA-N	406.898	5.188	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(F)F)c1	513906734	BQJPUPWMRLCTBN-UHFFFAOYSA-N	413.237	5.746	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)nc2ccccc12	514755701	MPIIBZPZQCVIOJ-UHFFFAOYSA-N	420.188	5.140	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccsc1	515333429	PFKGVOVHPVRQKM-QGZVFWFLSA-N	412.584	5.168	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)ccc1OCC(F)(F)F	515427939	QZIYCGWATLZRNF-UHFFFAOYSA-N	421.762	5.060	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4cc(Cl)ccc4o3)c2)c1	515447850	JHNSJNXCQZVLQX-UHFFFAOYSA-N	415.836	5.462	30	20	HKED	
C[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2cccc(C#N)c2)cc1	516676404	NXTBCGJXTGWDIO-INIZCTEOSA-N	411.427	5.412	30	20	HKED	
C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1	517549289	DXBMONLIHUOHQW-GOSISDBHSA-N	423.476	5.170	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc2ccccc2c1	518133348	KNTLLOWONMONKT-ZWKOTPCHSA-N	420.603	6.524	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1c(F)cncc1F	518351745	OXZMZTSAIRQZGJ-HNNXBMFYSA-N	422.435	5.002	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21	518758985	PXKJMYCBGNBKDB-DLBZAZTESA-N	411.596	5.410	30	20	HKED	
CCCc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[nH]c(C)c1C(C)=O	519125697	WXSKHLMJJOAUKN-UHFFFAOYSA-N	401.466	5.395	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C	519375832	QFXSYZVAEDRXGB-UHFFFAOYSA-N	416.569	5.243	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl	519425189	XWPRXJFRJBEYKM-AWEZNQCLSA-N	423.365	6.043	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1-n1cccn1	519918483	TXJSRKJPDCYKMK-UHFFFAOYSA-N	407.905	5.087	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(NC(=O)C2CC2)cc1	520854211	HAWZDXOUERABKU-CVEARBPZSA-N	422.554	5.170	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1	520854212	HAWZDXOUERABKU-HOTGVXAUSA-N	422.554	5.170	30	20	HKED	
COc1ccccc1CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1	521811512	JWFIBEKNJLUJQW-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)ccc1SCC(F)(F)F	522992600	GOKNSILZTIXGAU-UHFFFAOYSA-N	421.488	5.965	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)CC2)c1	523585533	NDUJUWJAHYVWSC-UHFFFAOYSA-N	423.822	5.306	30	20	HKED	
Cc1ccc(C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccn2)cc1	523770245	ONYATOLAKWXXPX-VWLOTQADSA-N	412.537	5.166	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1cccc2ccccc12	524388436	DANYQRZSDPTQSA-UHFFFAOYSA-N	422.484	5.616	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1ccc(C#N)cc1	533161699	MEDGMIXIVDXBHB-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)OCC	535969939	YXOGCVZNKNJVAW-GOSISDBHSA-N	403.910	5.357	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCSc3ccncc32)cc1Cl	536394269	FXGCJJHLGFTLGP-UHFFFAOYSA-N	407.882	5.151	30	20	HKED	
CC(C)(C)c1cnc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)o1	536394810	MQNXZPZPWFVBCY-UHFFFAOYSA-N	409.873	5.219	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1NC(=O)c1ccco1	536972274	JRVQWTQSXHWEAJ-UHFFFAOYSA-N	407.495	5.323	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H](C#N)CCc1ccccc1	537241008	KTZLLYDVCCBMOO-KXBFYZLASA-N	407.514	5.207	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3ccccc3Oc3ccccc3C#N)c2)n1	537556538	WBRDTKCGRHJURY-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1F	540348400	ZSGIUZYSOKGLIM-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
C[C@H](CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nccs1	542350509	UVRQSCYPCKYYGV-QGZVFWFLSA-N	420.538	5.056	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	542952221	UUZRQHBNALGWRT-KXBFYZLASA-N	411.575	5.570	30	20	HKED	
Cc1c(C(=O)Nc2cc(C#N)ccc2OC(F)F)oc2c(Br)cccc12	542974818	LHPQKHOFXJXSKL-UHFFFAOYSA-N	421.197	5.229	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(Br)s3)s2)n1	543878862	XORYHJKYHYIHDF-SECBINFHSA-N	409.355	5.494	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1)c1ccncn1	544816117	WYDUQBPGXNXZJD-MRXNPFEDSA-N	400.290	5.425	30	20	HKED	
CC(C)CC[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	548900201	DJOZMTOUSGYHNZ-OAQYLSRUSA-N	424.976	5.479	30	20	HKED	
N#C[C@H](C(=O)c1cccc(CN2CCCC2)c1)c1nc(-c2c(F)cccc2F)cs1	554008268	YQKUXGVDVOGAKU-QGZVFWFLSA-N	423.488	5.174	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1ccccc1	554391901	IRPVHBYQNCNIOJ-SANMLTNESA-N	409.533	5.414	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)c1cc2ccccc2o1	557554208	PSNFYQCMOKRYBB-IRXDYDNUSA-N	407.539	5.459	30	20	HKED	
N#CC(CCN[C@@H](c1nccs1)C(F)(F)F)(c1ccccc1)c1ccccc1	559320165	HZWMMIRATHFGDQ-SFHVURJKSA-N	401.457	5.236	30	20	HKED	
N#CCCC[C@H](N[C@@H]1CCSc2ccc(Br)cc21)c1ccccc1	559863724	LOZXRPHFRURYMH-RBUKOAKNSA-N	401.373	6.011	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nccn1-c1ccccc1	564200653	QLBQFISQKWUJMC-SFHVURJKSA-N	424.529	5.386	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N(CCC#N)C(C)C)c2nc3ccccc3s2)c1	571592708	GUCFOJJXYALWOZ-RGEXLXHISA-N	419.550	5.386	30	20	HKED	
CCc1nnc(-c2ccc(NCc3cccc(OCc4ccccc4C#N)c3)cc2)o1	580056528	NJRUWOVRUWJDHP-UHFFFAOYSA-N	410.477	5.362	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1	588348643	UKWLWNVKHUKKSK-HNNXBMFYSA-N	422.893	5.920	30	20	HKED	
CCc1ccc(N(C(=O)COc2ccccc2C#N)c2nc3ccccc3s2)cc1	601717075	ZDIHEYBHTHZGLD-UHFFFAOYSA-N	413.502	5.474	30	20	HKED	
C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603766913	ZRSSLUYHTMLBQG-HNAYVOBHSA-N	408.860	5.541	30	20	HKED	
CCCc1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	603983662	KFHSMRXAJFOPCS-UHFFFAOYSA-N	420.534	5.085	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3nc(O)oc3c2)cc1Cl	604387620	QSZIABHTOWDGSN-QGZVFWFLSA-N	403.825	5.095	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cs2)c1	604468196	LNEWMFALRRCGTD-AWEZNQCLSA-N	407.564	5.358	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cnc(Cc2ccc(F)cc2)s1	608896879	DEWHPRJVXULVTH-UHFFFAOYSA-N	417.465	5.185	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1C#N	609032671	YSSYMNOKPBVJST-UHFFFAOYSA-N	418.444	5.256	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	609060695	KKZOSSQUGVCICV-MRXNPFEDSA-N	422.431	5.130	30	20	HKED	
CCCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609079083	ZRMGIMFTWHFFKC-UHFFFAOYSA-N	413.521	5.890	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccsc1	609079103	ITFURWRNQVMVLR-HSZRJFAPSA-N	417.534	5.876	30	20	HKED	
COc1cc(C)ccc1OCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N	609151862	WDHBTDNAGZMINK-UHFFFAOYSA-N	420.896	5.141	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1Cl	609558666	XPRJNEPACDPCIW-FQEVSTJZSA-N	413.864	5.903	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc2ccccc2n1	613290816	MTCOBEHEWGUTGB-QGZVFWFLSA-N	412.470	5.225	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)cc1	615131115	DSIVONJQHLTWND-HXUWFJFHSA-N	403.873	5.008	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c(Cl)c1	619783339	QMJRTHFICQTYEB-UHFFFAOYSA-N	416.186	5.008	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc(-c3ccccc3)nc21	642281673	ZTMGILZVPMQWQI-SFHVURJKSA-N	421.460	5.310	30	20	HKED	
CC(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12	642281914	RAACCHRCOOUOHD-MRXNPFEDSA-N	422.897	5.613	30	20	HKED	
CC(=O)c1cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	672775300	QJGYJVKEYUPYFM-NXEZZACHSA-N	414.321	5.059	30	20	HKED	
C[C@H](C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1F	677856300	REGXIIWMQRVWNU-IVZWLZJFSA-N	403.313	5.094	30	20	HKED	
C=C(C)CNC(=S)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	726750251	HPYSAHBEETWWNI-UHFFFAOYSA-N	413.930	5.437	30	20	HKED	
COc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)cc1Br	727974670	OXCKCTQLENSMPY-NTMALXAHSA-N	400.297	5.477	30	20	HKED	
O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1OC(F)F	728157541	ZDXAKPLASDMEGY-JHMJBTLWSA-N	411.307	5.250	30	20	HKED	
C[C@H](CC#N)N(C)Cn1nc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n(C)c1=S	728902272	NBFGGZRLMWLYBC-GDBMZVCRSA-N	417.648	5.022	30	20	HKED	
CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)Nc1cccc(OCC#N)c1	729037669	XNOPTNQQKQXIBW-UHFFFAOYSA-N	423.513	5.899	30	20	HKED	
N#Cc1ccc(CNC(=O)c2sc3cc(Br)ccc3c2Cl)c(F)c1	729832869	QESBPMYUVOTHPO-UHFFFAOYSA-N	423.694	5.258	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCSc1nc2ccccc2s1	731026031	VPLZYVCVFZPUKR-CQSZACIVSA-N	413.593	5.669	30	20	HKED	
N#CC(CCOC(=O)c1csc(-c2ccoc2)n1)(c1ccccc1)c1ccccc1	731090064	AIJFMGNMUYUZNU-UHFFFAOYSA-N	414.486	5.460	30	20	HKED	
CC1CCN(c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)CC1	731962910	DPELYJPTLFXKFX-UHFFFAOYSA-N	412.493	5.234	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Cl)ccc1Br)c1cccc(Cl)c1Cl	733153453	YJPJNSNYMRJVQT-CYBMUJFWSA-N	418.505	5.404	30	20	HKED	
N#C[C@@H](C(=O)CCn1c2ccccc2c2ccccc21)c1nc(-c2ccncc2)cs1	734083794	TWMIGCYDXDDOCE-FQEVSTJZSA-N	422.513	5.580	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1ccc(OCc2cccc(C)c2)cc1)c1ccncc1	734659212	RJYLSERSEAGMBD-XMMPIXPASA-N	401.510	5.086	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)cc1C#N	747276557	ZGXHFTQLCNRHPL-UHFFFAOYSA-N	424.551	5.113	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cs1	749451671	HPIGXLUGRSZOKL-POHAHGRESA-N	419.481	5.653	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1	751014707	RJQDWSWCABWGDX-INIZCTEOSA-N	403.507	5.407	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C/c3ccnc(Cl)c3)c2)cc1	757930875	JWIRGLMLXGDYOP-RMKNXTFCSA-N	403.869	5.032	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N(Cc1cccs1)Cc1cccs1	761664802	LCVSIBPZHMANIO-UHFFFAOYSA-N	401.488	5.085	30	20	HKED	
COc1ccsc1/C=C1/CC2(CCOCC2)C/C(=C/c2sccc2OC)C1=O	764442342	OQWSAVDGYRZXID-NFLUSIDLSA-N	416.564	5.454	30	20	HKED	
COC(=O)c1coc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	766503641	XLEVNLNPBNAPIT-VOTSOKGWSA-N	407.369	5.105	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)C1	766529975	KILJDDIUYDZCOQ-ZBFHGGJFSA-N	407.898	5.214	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C(C)=C\c1c(Cl)cccc1Cl	766843616	YOXPPIQTROIMEX-HVCHUGMYSA-N	417.292	5.143	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)c1	767405276	ZNVXYEDYCGHJCK-UHFFFAOYSA-N	419.937	5.691	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1ccc2c(c1)CCC(=O)N2C	774138760	NXCNQZOYHLCOFA-NYYWCZLTSA-N	406.482	5.063	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)c(Cl)cc1O	774375889	RXLFZTXMBLJTCX-CYBMUJFWSA-N	418.324	5.455	30	20	HKED	
C#CC[C@H](NCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccccc1	775400192	MLNXKGAULBEDEO-QFIPXVFZSA-N	403.551	5.244	30	20	HKED	
CC[C@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1cc(Br)ccc1O	775523429	KSGUXZPXPTWLKU-APWZRJJASA-N	403.320	5.077	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1	776768996	RLRZQAQDXTXRSR-QGZVFWFLSA-N	419.525	5.079	30	20	HKED	
COc1cccc(Oc2ccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)c1	780513069	BBAYQCOIVZBFTJ-MRXNPFEDSA-N	403.438	5.422	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2nc(C3CC3)cs2)cc1C	781187997	FKGPDUGNIHJCRF-INIZCTEOSA-N	420.538	5.333	30	20	HKED	
COc1cccc(-c2nc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3Cl)cs2)c1	782188028	HDNAVPXJBMVNPN-VMPITWQZSA-N	400.843	5.276	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(F)(c3ccccc3)CC2)cc1	788570863	FUQRGSRZGNKXSW-XMMPIXPASA-N	413.496	5.835	30	20	HKED	
COc1cccc([C@@H](C)CCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1	789408464	KVQOQWHESQQLCO-YJBOKZPZSA-N	411.452	5.590	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@H](CCC#N)c1ccccc1	790901832	RGYMEQJWNOOHDO-HXUWFJFHSA-N	407.514	5.127	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nccc2ccccc12	792093751	AJSBNUJVZCSXDV-LJQANCHMSA-N	405.295	5.295	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1	792098905	FUMJSPUAYPGKET-HOYKHHGWSA-N	404.469	5.446	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	793124223	KFLKLKKEKPBYGU-MSOLQXFVSA-N	406.894	5.400	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1	796764090	OITCFFCZFFEDOD-INIZCTEOSA-N	405.479	5.181	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCCCCC2)cc1	801776017	FZRNIMNGHHKFSC-BJKOFHAPSA-N	402.542	5.371	30	20	HKED	
O=C1/C(=C/c2csc(COc3ccc(Cl)cc3)n2)Cc2nc(Cl)ccc21	806579270	BEJIKUOUKQMMQY-YRNVUSSQSA-N	403.290	5.246	30	20	HKED	
COc1cc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cc(OC)c1OCC(F)F	809154080	MRWJLNKQIHBLPN-FYTLYHSASA-N	412.479	5.170	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1cc(C(F)(F)F)ccc1Br	811488156	MGRHQKAPSSOMMY-UHFFFAOYSA-N	403.173	5.121	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813217075	BHANOHSHRXLLRL-NHYWBVRUSA-N	400.322	5.174	30	20	HKED	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813217894	QEDUVXJVBYCCSL-BBRMVZONSA-N	414.349	5.564	30	20	HKED	
N#Cc1ccc(N2CCC(c3nc(-c4c(Cl)cccc4Cl)no3)CC2)c(F)c1	904309923	JUUOHGHAOIXWCN-UHFFFAOYSA-N	417.271	5.438	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	916905157	AYYWVDOMNLHELM-AVRDEDQJSA-N	420.553	5.358	30	20	HKED	
CCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917044050	PDUBRRPBNUSOEM-MRXNPFEDSA-N	412.898	5.188	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1	919904630	QHGQNCCXFACNGZ-DNQXCXABSA-N	415.493	5.148	30	20	HKED	
CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	921011505	YRQPMJPFDJGTAQ-UHFFFAOYSA-N	401.422	5.171	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3sccc3OCC)cc2)CCC1	1785773793	YODMMFHEODYNOD-INIZCTEOSA-N	412.555	5.107	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C=O)s3)CCC2)cc1	1789451702	TXDRPANIOSTSRE-HXUWFJFHSA-N	422.550	5.077	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1	1791587978	ZODQLNKDJUTYAV-UHFFFAOYSA-N	419.912	5.212	30	20	HKED	
C[C@@H]1CN(Cc2csc(/N=C(\O)c3sccc3-c3ccccc3)n2)C[C@@H](C)O1	22297033	AIUAPHITLDPSDX-HUUCEWRRSA-N	413.568	5.117	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc2n1	59799243	QETCHIPNPGHNKU-UHFFFAOYSA-N	407.473	5.441	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1	110282538	FSQGOGFOVYHURG-UHFFFAOYSA-N	405.461	5.140	30	20	HKED	
CCN(C(=O)CSCc1cc(-c2cccs2)on1)[C@@H](C)c1ccc(C#N)cc1	149064485	DYEFARBYWCELFX-HNNXBMFYSA-N	411.552	5.118	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	303360890	HFEUZTSYEUUYEQ-OAQYLSRUSA-N	408.567	5.272	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(Oc3ccncc3)c2)c1	303449698	KDMYKRYZKVQVNK-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=CCOc1ccc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)O)cc1Cl	409707503	QTVKLCFVGPAIJU-WJDWOHSUSA-N	420.896	5.137	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	426090768	ALWSQEQDDZHPST-LJQANCHMSA-N	405.420	5.493	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)[C@@H](C)Cc2ccsc2)cc1	429384994	NBBMFPKTSIUSCT-SFHVURJKSA-N	411.571	5.047	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(-c3ccncc3)nc3ccccc23)s1	430612937	TVAGKJVSRUQBPG-GOSISDBHSA-N	412.518	5.541	30	20	HKED	
C[C@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1)c1ccc(C#N)cc1	431840985	BYQWRHOXIWALEM-ZDUSSCGKSA-N	411.477	5.115	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	432582315	CFLVREBFDCKERD-VQTJNVASSA-N	400.469	5.818	30	20	HKED	
CN(Cc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1	433775864	WBMGPBDZMBXTEP-UHFFFAOYSA-N	422.532	5.516	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1	437764808	PEGKAQPODRJRFE-CYFREDJKSA-N	424.541	5.088	30	20	HKED	
CCN(Cc1cccc(Br)c1)C(=O)N[C@H](CCC#N)c1ccccc1	438864130	ZTIRDPXUIZCBLW-LJQANCHMSA-N	400.320	5.026	30	20	HKED	
CC[C@@H](CN(CC)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	441933230	KUNHWAHEPQLNLS-MOPGFXCFSA-N	423.582	5.062	30	20	HKED	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(C#N)(c1ccccc1)c1ccccc1	444650253	LZJNWHYIEAZZLF-IIMAJNMQSA-N	416.590	5.317	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	444932140	KJYRBRQPYRGBFO-LBPRGKRZSA-N	400.891	5.365	30	20	HKED	
C=CCN(C(=O)[C@H]1CCCOCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	447203201	KMWRBFAWAXQLKF-QFIPXVFZSA-N	418.562	5.813	30	20	HKED	
C=CCN(C(=O)c1sc2cc(C)c(C)cc2c1C)c1nc(C(=O)OCC)cs1	447396512	KMFOOLUVSIYMIV-UHFFFAOYSA-N	414.552	5.293	30	20	HKED	
CC[C@H](NCC1(c2ccc(Br)cc2)CCOCC1)c1ccc(C#N)cc1	447537579	XAKPGIVSQHHREY-NRFANRHFSA-N	413.359	5.110	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(N3CCC(C(=O)c4cc(F)ccc4F)CC3)c2c1	462369673	LCIFAMKHCLBKKY-UHFFFAOYSA-N	405.448	5.101	30	20	HKED	
Cc1cccc(C)c1OCc1nnc(SCCC(C)(C)C#N)n1-c1ccccc1	463049688	TWPUIPBNZWCITA-UHFFFAOYSA-N	406.555	5.495	30	20	HKED	
CC1(C)[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]2CCCO[C@H]21	466146326	RBWUANFVKGBHDH-YVNJGZBMSA-N	423.944	5.321	30	20	HKED	
Cc1cccc(-n2c(SCCCSCC#N)nnc2-c2c[nH]c3ccccc23)c1	466615012	AHAXOYKFOQGUSA-UHFFFAOYSA-N	419.579	5.463	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3ccco3)cc2)cc1	468233354	FUAATHZUUSYYQV-HXUWFJFHSA-N	414.461	5.016	30	20	HKED	
CC(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccs1	470538687	RTNLZGAIXVNJDW-LJQANCHMSA-N	424.570	5.240	30	20	HKED	
C=CCn1c(SC2CCOCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	472205430	JITMQWXHEKJFIG-UHFFFAOYSA-N	416.543	5.030	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ncc(C(C)(C)C)o1	472713055	PPEHZEAENNEIRO-UHFFFAOYSA-N	404.470	5.266	30	20	HKED	
COc1ccc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1OC	472786640	KUQKUHHGIBNBDC-UHFFFAOYSA-N	406.413	5.068	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1	475542982	BJNHHBJPXZAPJX-DEOSSOPVSA-N	403.501	5.984	30	20	HKED	
Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	477577078	YGFAXOUCDRDHRS-UHFFFAOYSA-N	421.525	6.332	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)Cc1csc(Br)c1)c1ccc(F)c(F)c1	477728237	VHTDURQTUZUCKO-MRXNPFEDSA-N	415.303	5.248	30	20	HKED	
COc1ccc(Cl)c(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	479555091	MWBMXFPBKIKERL-AWEZNQCLSA-N	420.987	5.472	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1	481794799	LLQDUKLDULMOIJ-UHFFFAOYSA-N	422.550	5.253	30	20	HKED	
Cc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)c3ccccc23)sc1SCC#N	483252530	MGDSBBGSTLPYKV-LBPRGKRZSA-N	417.943	5.280	30	20	HKED	
COc1ccc([C@H](NCc2cc(C#N)cs2)c2ccc(C(F)(F)F)cc2)cc1	486840464	XKDFPITVFSQSRK-HXUWFJFHSA-N	402.441	5.526	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1cccc2ccccc12	488769824	RWXCEIDPTGGXNY-LBPRGKRZSA-N	401.413	5.245	30	20	HKED	
Cc1cccc(N(C)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1	489938692	YCRDWAIIYPJBGZ-UHFFFAOYSA-N	420.538	5.005	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	495093764	QPUQWAQVKRWDEM-OAQYLSRUSA-N	419.525	5.111	30	20	HKED	
CN(c1ccccc1)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cn1	496612950	RRJXSKJPFNFBTD-QGZVFWFLSA-N	417.419	5.084	30	20	HKED	
Cc1cccc([C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccccn2)c1	498372889	LKNRUJXLZKWUGE-NDEPHWFRSA-N	419.528	5.720	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	501011527	RCBBZWDRQCGRIF-ZDUSSCGKSA-N	409.873	5.142	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1	501162720	JXDINBDFRHEIEE-UHFFFAOYSA-N	422.485	5.058	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCc2ccc(Oc3cccnc3)c(F)c2)CC1	507621211	NQEQISBFIUVLKI-UHFFFAOYSA-N	401.485	5.507	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](c2nccs2)C1	508996240	FMUQXBYSQQJUCR-ZDUSSCGKSA-N	420.369	5.278	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1	509607147	FXDFHVNARUQJIN-CYBMUJFWSA-N	419.344	5.227	30	20	HKED	
CCN(C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12)c1ccc(C#N)cc1	510428352	LPOWUDMPOPDRHF-UHFFFAOYSA-N	400.438	5.145	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c1	510828269	RBDBXNDVPUPVCR-UHFFFAOYSA-N	405.813	5.189	30	20	HKED	
C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C(=O)Nc1ccccc1C#N	511403140	DFMIUBFVIWVXTH-HXOBKFHXSA-N	403.913	5.112	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)c(C)c1	512980584	JBAQDSAQRGUCOU-KRWDZBQOSA-N	416.531	5.436	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H](C)c1ccc(C#N)cc1	513486691	WSIVMTOIAUYJPI-IBGZPJMESA-N	409.489	5.232	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(-c3nccs3)c2)c1	513509272	WWXJDIWLIBIARV-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)c2ccccc12	515250677	ZZFNBPSQQVYJEC-IRXDYDNUSA-N	421.541	5.662	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc12	515591625	JZIFGERAHCXSNQ-UHFFFAOYSA-N	403.511	5.076	30	20	HKED	
COc1ccc([C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C(C)C)cc1	520208832	POXVOVZGKAGWRP-SANMLTNESA-N	400.522	5.633	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)o1	520534468	GGYQALKXCHQNCG-QHCPKHFHSA-N	404.441	5.141	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	520837540	ZIHZXPLRFCJPCZ-LSDHHAIUSA-N	410.568	5.248	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1	521079745	MPZAJHJWMIRSBR-DEOSSOPVSA-N	415.924	5.699	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	521768298	BKODVIYDFSHRCJ-AUUYWEPGSA-N	403.309	5.193	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(Sc4ccccn4)cc3)n2)cc1	522241753	ATYJNDBXLCEFDO-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCCCCCN3CCCCC3)c2)cc1	523588729	BILZEIJXJMOTMX-UHFFFAOYSA-N	406.530	5.128	30	20	HKED	
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	531314696	KTFLOBYAESUXDM-DWLFOUALSA-N	407.583	6.128	30	20	HKED	
CN(C(=O)Cc1ccc(NCc2cccc(OCCCC#N)c2)cc1)c1ccccc1	532730683	YSSLSTYXEBZPJE-UHFFFAOYSA-N	413.521	5.187	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C1CC1	534073941	YNIPIDZALPNMCA-INIZCTEOSA-N	400.482	5.648	30	20	HKED	
N#CC1(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)CCSCC1	535319197	STPWRPLQQDHTLD-UHFFFAOYSA-N	414.596	5.518	30	20	HKED	
CCOc1cc(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)cc(OCC)c1OCC	535875443	ILDMUMHHUIPTDK-UHFFFAOYSA-N	416.905	5.074	30	20	HKED	
C=CCC[C@@H](NCc1nc(Cc2cccc(Br)c2)no1)c1ccccc1	537156790	YQCKPZGLTFYIKC-LJQANCHMSA-N	412.331	5.220	30	20	HKED	
Cc1ccc(-c2ccc(CN(C(=O)Nc3cc(C)n(CCC#N)n3)C(C)C)s2)cc1	537514171	NXHMNGGVUPUPGY-UHFFFAOYSA-N	421.570	5.585	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl	539290106	VUOFSEGHTKAHKJ-OPAMFIHVSA-N	415.990	5.660	30	20	HKED	
CCC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1F	539324723	FGUDAVDFWKSJPD-KXBFYZLASA-N	417.525	5.286	30	20	HKED	
N#CC1(c2ccc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)cc2)CC1	539593518	UDOSRMYHPVKCNJ-UHFFFAOYSA-N	418.500	5.024	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	539745461	JIRQBSOOILXGPL-UXHICEINSA-N	401.432	5.055	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)o1	541718626	RJXYLXNLORVFPY-QGZVFWFLSA-N	420.881	5.312	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3cccc(OCc4ccccn4)c3)s2)cc1	542763406	QJIWEUGVJDLZBX-UHFFFAOYSA-N	412.518	5.192	30	20	HKED	
Cc1cc(C)c(Br)c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1	547301651	QUYVXKBJLAFHLM-UHFFFAOYSA-N	412.312	5.313	30	20	HKED	
N#CC[C@@H](CC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccccc1	552394226	HGWSMFUIEIFUEN-QFIPXVFZSA-N	400.547	5.332	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2ccc(F)c(F)c2)n1	553119371	JDVDYXHBHFPFLP-UHFFFAOYSA-N	416.497	5.084	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H](NCc1ccccc1)c1ccco1	553212556	NKYUXWMAUXRZCE-VWLOTQADSA-N	421.500	5.079	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c1	553739538	QHJHLWWRKJPGID-UHFFFAOYSA-N	419.500	5.134	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)c2nc(C(F)(F)c3ccc(Cl)c(Cl)c3)no2)cc1	554817559	XNQDEHPIYRZENT-ZDUSSCGKSA-N	419.218	5.238	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	557999017	WJJISMHVYBIMDD-UHFFFAOYSA-N	418.324	5.119	30	20	HKED	
Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1NC(=O)C(C)(C)C	559730173	SWTDBVXQLYIPHQ-UHFFFAOYSA-N	405.523	5.627	30	20	HKED	
N#Cc1ccc(NC(=O)CCN2CCC[C@H](c3nc4ccccc4s3)C2)cc1Cl	571236227	ANUUFFDLDDCIKC-INIZCTEOSA-N	424.957	5.030	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	571385376	RWMUHCBSAFJVPI-CYBMUJFWSA-N	413.268	5.112	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1F	574124576	XZFUQHKVSGVQMF-YADHBBJMSA-N	421.472	5.055	30	20	HKED	
N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(F)F)cc3)cc2)cc1	575018853	XHQUBYPSUYVPRU-UHFFFAOYSA-N	400.406	5.089	30	20	HKED	
O=C(N1CCC[C@@H]1CF)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	578092756	DTSSKQNXNUQTGF-MOSCZQEPSA-N	415.393	5.069	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](NCc1cn(Cc3ccccc3)nc1-c1ccccc1)CC2	589337081	DPKYQAOCUVIXQK-AREMUKBSSA-N	404.517	5.247	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3Oc3cccnc3)cc2)ccn1	589543384	CFJDFPSTNHHXGL-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
N#CC1(c2ccc([C@@H]3Nc4ccccc4C(=O)N3c3ccc(F)cc3Cl)cc2)CC1	602761750	SZTUJTXWGUCELN-JOCHJYFZSA-N	417.871	5.805	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	603738955	MMLAGWBWBNVEIH-QRWLVFNGSA-N	401.466	5.342	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1	603948834	NYRRYLWCTDTGKH-OAHLLOKOSA-N	409.555	5.372	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)nnc1-c1ccccc1OC	607758281	RZWOOZVICCGSHS-KRWDZBQOSA-N	421.566	5.627	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1Cc2ccccc2S1	609061596	QBGINPDIZTUHDV-HSZRJFAPSA-N	400.503	5.101	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2n[nH]cc2c1	609163877	BJARFHBVZTVZCD-HXUWFJFHSA-N	400.869	5.433	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Cl)c1	609432376	FTYHVARXBWFNFC-INIZCTEOSA-N	405.885	5.752	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](CC)c1ccccc1	609438571	PRUAWMNLCJASAI-GHTZIAJQSA-N	423.582	5.409	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1cccc(C#N)c1	610323695	UUXQBCVNLZAIFO-OAHLLOKOSA-N	407.420	5.298	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1CN1CCCCC1	612218397	GSBMTZSRMSRULL-UHFFFAOYSA-N	418.006	5.285	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F	612286892	KETKLDCAGZBQEF-LBPRGKRZSA-N	424.904	5.605	30	20	HKED	
Cc1ccc2oc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2c1	617898164	RSPFKOHDEYLQDQ-CYBMUJFWSA-N	400.381	5.860	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1cccc(C#N)c1	619529954	HZWFRKXUWPAARY-ORAYPTAESA-N	416.294	5.068	30	20	HKED	
N#Cc1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl	619748670	LDQLQRKEBNACFE-UHFFFAOYSA-N	407.848	5.644	30	20	HKED	
O=C(Nc1cccc(OC(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642634363	AQFCPRCSVNNGFI-IUCAKERBSA-N	420.300	5.319	30	20	HKED	
COCCC[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1	669613218	RGUAXOIXZLYDAO-ZQIUZPCESA-N	415.393	5.793	30	20	HKED	
O=C(NCC1CCC(F)(F)CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	669668358	IDNFVNYXVNLJSH-QWRGUYRKSA-N	410.349	5.021	30	20	HKED	
O=C(Nc1cccc(F)c1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	672847164	LOLQFIZURQAUBU-BRPSZJMVSA-N	406.729	5.510	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1	674465564	NZMKIGUVCMYEQY-GASCZTMLSA-N	411.361	5.227	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1	678572439	XIAGSFXRZIOZBN-IBGZPJMESA-N	416.477	5.991	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1cccc(C)c1C	728061967	CGLAZJJJPLXKDP-HXUWFJFHSA-N	413.521	5.502	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)Nc2ccc(C(=O)OCC)cc2)c1	728227733	VSBKPDRXYWFKEU-UHFFFAOYSA-N	414.530	5.248	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3cccs3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	728439562	APXPLWBAECYSPB-WAYWQWQTSA-N	415.452	5.201	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C#N)cc3)c3ccccc3C2=O)cc1	728695774	GKJNRZQJOMXKPP-XHFXOGKZSA-N	408.457	5.014	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cc(F)c(F)cc2F)cs1	734302610	HJMYZMKLRYLYTF-UHFFFAOYSA-N	424.835	5.344	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCC[C@@H]1c1ccc(Br)cc1	735308783	SHADUYLORTZNKX-GOSISDBHSA-N	405.723	5.342	30	20	HKED	
C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1cc(Cl)ccc1F	735320519	WGCXRQGBWLAMCC-LLVKDONJSA-N	413.301	5.295	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C	739668264	ANXRNPAYABCSAQ-UHFFFAOYSA-N	409.493	5.021	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccnc4ccccc34)n2)cc1	741112938	ISMLTRLCTKZSFA-WUQYLLKWSA-N	411.486	5.257	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	741635135	JQGPVHPNSIPREN-UHFFFAOYSA-N	422.403	5.038	30	20	HKED	
Cc1ncsc1/C=C1\CCc2nc(-c3ccc(Br)cc3)sc2C1=O	742434906	PQWXOQWSSDVKDW-XYOKQWHBSA-N	417.353	5.550	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	743096329	QFPSIVXIGBBMPY-XYHYBEPMSA-N	413.496	6.096	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F	744026429	XVUXAICIBQZJHQ-DMIOIOJGSA-N	406.791	5.110	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	744118132	FPDRRTNSHAIQGA-OCOPJHETSA-N	404.388	5.734	30	20	HKED	
CCOc1ccccc1C=NO[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1	744443072	IDACIKZDWIHLKJ-ZDUSSCGKSA-N	405.376	5.266	30	20	HKED	
COc1ccc(/C=C(\Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1OCCCC#N	747361450	NKALDEUPZRHNKW-JYRVWZFOSA-N	403.816	5.269	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1	752164532	NFHFJHPFXPEQLT-CVTTXWKISA-N	415.905	5.901	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1F	752478189	ZTFFXHOSMLAYPA-QMTHXVAHSA-N	411.235	5.113	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1C#N	752766137	RCUKRVHQLHENPX-UHFFFAOYSA-N	424.570	6.182	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1nncc2ccccc12	754701480	UERUFHFCZUCKSA-UHFFFAOYSA-N	404.905	5.097	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@H]2c2ccccc2Br)c1=S	755925611	SNUFQCFLYTYVLA-KRWDZBQOSA-N	419.392	5.035	30	20	HKED	
COc1cc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)c(OC)cc1O	763107566	ZIEQAYUXZMSCCN-BQYQJAHWSA-N	401.871	5.082	30	20	HKED	
O=C(/C(=C/c1cccc(Br)n1)c1nc2ccccc2s1)c1ccccc1	777912347	OSPQZZPRCVTGIS-SSZFMOIBSA-N	421.319	5.877	30	20	HKED	
O=S(=O)(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccc(C(F)F)c1	780386001	AXDMNSOYUBILEQ-UHFFFAOYSA-N	401.303	5.079	30	20	HKED	
CCOc1c(Cl)cccc1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O	782142586	JJLAONBLOTZIPD-UHFFFAOYSA-N	423.925	5.368	30	20	HKED	
COc1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1Cl	782229475	CDQBWYGBIYZCGQ-UHFFFAOYSA-N	417.900	5.101	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(SC(F)(F)F)cc1	784105410	CJJHGGYXEQMTNP-ZDUSSCGKSA-N	424.444	5.125	30	20	HKED	
FC(F)Oc1ccc(NC2CCN(CCC(F)(F)F)CC2)cc1C(F)(F)F	793316088	BFBFTJGKGQCSMZ-UHFFFAOYSA-N	406.317	5.136	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3cc(Br)ccc3o2)cc1	794739054	OSJXCAPBFBMBCZ-OXFWXOROSA-N	403.663	5.618	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)N[C@@H](C)c1cccc2ccccc12	795982736	QUCJRIUANVCYAE-IPJJNNNSSA-N	414.505	5.036	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2cn(C(C)C)nn2)C(=O)c2ccccc2)c(Cl)c1	806570535	CICGSGNYXJZROH-XDHOZWIPSA-N	422.916	5.034	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC(C)(C)[C@@H]2c2cccs2)c1=S	808224926	XCYWIQYWJCAFGZ-SFHVURJKSA-N	411.600	5.154	30	20	HKED	
C=CCn1c(SCc2cccc(Br)n2)nnc1-c1ccc(Cl)cc1	813569260	ZZBIFESVTPQVCN-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1	814307523	LWDGYGTUSTXWBR-HNAYVOBHSA-N	423.904	5.185	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(NC(=O)NC2CC2)cc1	915047970	LUNZZSBGIOYWNF-UHFFFAOYSA-N	412.708	5.162	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1	915085158	HMDOSOIYOMIQOJ-DEOSSOPVSA-N	421.525	6.141	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1OC	916137772	VMDKGDDXXQMAMC-WUXMJOGZSA-N	421.880	5.506	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl	916940731	ZSXFSWYYHUHQTK-LJQANCHMSA-N	420.852	5.102	30	20	HKED	
CN1c2ccccc2C(=O)N(c2ccccc2Cl)[C@H]1c1ccc(OCC#N)cc1	917503665	RUOKZQSYQCHSIH-QFIPXVFZSA-N	403.869	5.038	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc3ccccc3o2)cs1	917561364	DHQWIZURPBDVIT-FLIBITNWSA-N	422.893	6.123	30	20	HKED	
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1OC	917774374	KXTSFDUWWQJKKO-XYOKQWHBSA-N	416.502	5.054	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(-n4cccc4)c3)n2)cc1	920140851	CMTXAOTUSFVZRF-HXUWFJFHSA-N	413.502	5.408	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccn3)CCC2)cc1	1789456216	MBZBCUTWUDUANF-HXUWFJFHSA-N	423.944	5.251	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1	1790251165	OYMJLXRCFYQODU-UHFFFAOYSA-N	402.416	5.029	30	20	HKED	
COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc(OC)c1	6341800	AIPXSMOKVOXEHX-ZHZULCJRSA-N	401.487	5.737	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c(Cl)c1	26143108	SJMXCLHKXNEKOT-LLVKDONJSA-N	413.852	5.362	30	20	HKED	
Cc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C	41779636	QRFBKGRMYXFCJK-UHFFFAOYSA-N	415.518	5.158	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1	43740159	BEFBQFRAKQOEKE-UHFFFAOYSA-N	411.093	5.029	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1Cl)c1ccccc1	64658276	SJWZVHSHJLFPRY-INIZCTEOSA-N	405.885	5.402	30	20	HKED	
Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)oc2ccc(Br)cc12	71975042	MHJSVSMLKJGEEE-UHFFFAOYSA-N	413.271	5.439	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c(F)c1	98068773	WLFQMTBICCBVJA-FMIVXFBMSA-N	409.844	5.636	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1ccc(C#N)cc1	105918046	ICKLZYDZYKMCGS-MRXNPFEDSA-N	412.518	5.218	30	20	HKED	
CC(C)c1ccc(OCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	108378286	BBRPKWMLDZYGOF-UHFFFAOYSA-N	414.505	5.473	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1OCC(F)(F)F	195556330	HJKFSKNKDIXWCL-UHFFFAOYSA-N	418.868	5.240	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccccc1F	195569299	QBMDFPBGEWQBSX-UHFFFAOYSA-N	421.497	5.286	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2csc(-c3ccc(C)cc3)n2)ccc1OC	237021817	FSRNZSWTFKRRGX-FQEVSTJZSA-N	407.539	5.098	30	20	HKED	
COc1cc(Cl)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C	426031324	XMBJZUFTGWEWCT-UHFFFAOYSA-N	422.937	6.073	30	20	HKED	
Cc1cc(NC(=O)c2cccc(SCC#N)c2)n(-c2ccccc2C(F)(F)F)n1	429931556	TZIKXRBOCXCVAN-UHFFFAOYSA-N	416.428	5.068	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1c(C)cc(C)cc1Br	431966576	VWFSOJOEMAIGPH-UHFFFAOYSA-N	418.291	5.194	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1	432655609	HDPRVUBZCUWFKY-QHCPKHFHSA-N	412.493	5.496	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccccc3)CC(F)F)c2)cc1	437166180	OTSPBZFRCDQYTJ-UHFFFAOYSA-N	406.432	5.045	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)n1	438118415	XRMZNMJCNIQCNN-RTWAWAEBSA-N	402.523	5.422	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)c(F)c1	440039842	UNNZQXMDIOQWMA-UHFFFAOYSA-N	403.310	5.170	30	20	HKED	
CCCc1c(NC(=O)c2cccc(C(F)(F)F)c2F)cnn1-c1cccc(C#N)c1	440092104	NBWCDBNPRDMITK-UHFFFAOYSA-N	416.378	5.107	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)s1	443591305	KIIGROMKCBEPPA-VXGBXAGGSA-N	424.389	5.788	30	20	HKED	
C[C@H](c1ccco1)N(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1	444383193	NSXLFWVJJCFOAD-MRXNPFEDSA-N	414.465	5.161	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1	445830171	QWJAVMOQNFOSOF-HNNXBMFYSA-N	418.484	5.919	30	20	HKED	
Cc1cc(-c2ncccc2NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cs1	446614756	XYMGJMKBZVVLFT-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1	461491868	WNCLYLWFLSTSNO-RBUKOAKNSA-N	423.611	5.037	30	20	HKED	
Cc1ccccc1COc1ccccc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464420968	KNZXUKLAJUYIMS-LJQANCHMSA-N	410.395	5.478	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC	466370965	TXSFYPAFNGRUIJ-NRFANRHFSA-N	402.922	5.054	30	20	HKED	
CC[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(C)C)c1nc(C(F)(F)F)cs1	466663406	FGLBUDWQHJFRTO-GFCCVEGCSA-N	412.437	5.094	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	467367578	DPBKEKSNPJWRME-MRXNPFEDSA-N	417.513	5.493	30	20	HKED	
CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1	469193806	JSEKSGBTOVUZON-HXUWFJFHSA-N	416.352	6.140	30	20	HKED	
CC(C)c1sc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)nc1-c1ccccc1	470822499	QTBSGUWZANHKQB-IBGZPJMESA-N	400.507	5.126	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3cc([C@@H]4CCCO4)[nH]n3)cc2Cl)cc1	471249652	JRHHGRORZFJBNK-IBGZPJMESA-N	423.860	5.223	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1	475104621	VQUKQURWSCRJPN-IBGZPJMESA-N	417.896	5.618	30	20	HKED	
Cn1ncc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)c1C#N	475929689	XUYSYDWILJZGBA-UHFFFAOYSA-N	421.671	5.297	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(OC)c(OC(F)F)c(OC)c1	476141260	JGCJIWKEWTUAIJ-UHFFFAOYSA-N	405.441	5.409	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccccn1	481388059	CJXPXMSSJNSRRJ-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
C=C(C)[C@@H](N[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)c(F)c1	481596318	JJFUNAVVCYLRSJ-KPZWWZAWSA-N	423.385	6.002	30	20	HKED	
CC1(C)CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[C@H]1C(F)(F)F	482057661	XDOIQNUHLPFQFN-LJQANCHMSA-N	402.416	5.401	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	482381571	WGXVVNTZEJFRCF-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c1)c1ccccc1	483204104	SMWLAIZIDCEDRV-QHCPKHFHSA-N	405.457	5.001	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	483647406	WOUGUPYMIFFKKW-LJQANCHMSA-N	404.457	5.423	30	20	HKED	
COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N[C@@H](C)CC#N)cc1	484799329	QETKOHDXZCAZQV-DOMQTXCISA-N	411.505	5.152	30	20	HKED	
N#CCCCOc1cccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1	486983144	CRFXWMDCBIKGGY-UHFFFAOYSA-N	400.404	5.390	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1	487314054	MRYLOHIDKLDMRT-FQEVSTJZSA-N	412.415	5.056	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCN(Cc2ccccc2)C1	492194159	DKLZQVGXXSKKOU-SVFBPWRDSA-N	422.598	5.113	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCCCC[C@H]3c3noc(-c4ccccc4)n3)cc2)CC1	501840309	LAJMSRYKIVBJET-NRFANRHFSA-N	412.493	5.049	30	20	HKED	
CC(C)N(CC#Cc1ccc(Cl)cc1)Cc1nnc(-c2ccccc2Cl)o1	502766600	SKVBAHJHUJRFIW-UHFFFAOYSA-N	400.309	5.306	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	504012320	BUOLHMJKSJVFAE-UHFFFAOYSA-N	403.482	5.059	30	20	HKED	
C=CCCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1	504273213	ZYPVXMDMIJFLSF-UHFFFAOYSA-N	418.566	5.053	30	20	HKED	
O=C(NC[C@H]1CCCC(F)(F)C1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	504762124	KIJKTPKNYGCPJT-GWCFXTLKSA-N	416.337	5.016	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(OCc2cscn2)c1	504982314	DOERNHBCYBTUPX-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Cl)sc1Cl)c1ccc(OCc2ccccc2)cc1	505338106	NGMDTDKZDNTMCP-KRWDZBQOSA-N	417.317	5.629	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(C)(C)c2ccccc2C)cc1C	505377771	UIBUZJREQGDKFN-UHFFFAOYSA-N	414.553	5.097	30	20	HKED	
N#CC1(CCCSCc2coc(-c3ccc(Br)cc3)n2)CCOCC1	507696526	BCLHXSLWLRJWFJ-UHFFFAOYSA-N	421.360	5.438	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	510892272	HYIZXGVTGMUSCD-LVCYWYKZSA-N	409.555	5.228	30	20	HKED	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	510893481	LAPBTIQDPDGNJU-CQSZACIVSA-N	408.395	5.539	30	20	HKED	
C[C@H](C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1c(F)cccc1F	511724706	PIFMPUSLFUBFPG-VFZGTOFNSA-N	409.301	5.090	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(Cc3ccccc3)n2)sc2c1CCCCC2	512137241	HFGJEMIBOAAIFT-UHFFFAOYSA-N	407.564	5.117	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	513204983	KLVLVTIICYMITI-OAHLLOKOSA-N	416.868	5.315	30	20	HKED	
COc1ccc2cccc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2c1	513808408	SGSOMLPPEMTJOK-UHFFFAOYSA-N	423.472	5.397	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC	514177015	ZUXCKWJCGCMBTI-AWEZNQCLSA-N	422.447	5.012	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCCc1ccc(-c2csc(C)n2)s1	514580103	UZYCCWSOXHDOPV-UHFFFAOYSA-N	403.598	5.182	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1Cl	515130374	ZVLFTYSGOPXHLO-LJQANCHMSA-N	412.823	5.849	30	20	HKED	
COc1ccc(C2(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCC2)cc1	518259418	KUQQQASSONKJBV-KRWDZBQOSA-N	409.555	5.680	30	20	HKED	
Cc1sc2ncnc(SCC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)c2c1C	518710033	GJVKXRHOUWZKHH-KRWDZBQOSA-N	424.595	5.079	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1ccc(C(=O)Nc2ccccc2)cc1	519423839	FXJQEDSJTLNLAV-SFHVURJKSA-N	401.535	5.803	30	20	HKED	
CC(C)(C)c1nnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	520364085	ACDDWQJYPIULQY-UHFFFAOYSA-N	408.552	5.252	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3occc3COc3ccccc3)c2)cc1	520567122	MCBBTNBENFTICT-UHFFFAOYSA-N	410.429	5.775	30	20	HKED	
CN(C(=O)c1oc2ccccc2c1CSc1cccs1)c1cccc(C#N)c1	520734080	DZOFFNRAWDYGGY-UHFFFAOYSA-N	404.516	5.935	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	520827703	XLOKILLZULVMTQ-UHFFFAOYSA-N	413.852	5.415	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCCc3cc(Cl)cc(Cl)c3)cc2)nc1	521092958	LMAXYAPLHUGEQA-UHFFFAOYSA-N	412.276	5.025	30	20	HKED	
COc1ccc(Br)cc1-c1nc(COc2ccc(C#N)c(F)c2)cs1	524616945	JHNRANDBKNAPPL-UHFFFAOYSA-N	419.275	5.171	30	20	HKED	
C=CCn1c(SCCOc2cc(Cl)cc(Cl)c2)nnc1-c1cccnc1	525518337	NQOMMZOQCQADOS-UHFFFAOYSA-N	407.326	5.004	30	20	HKED	
Cc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1CCC#N	527082227	WDVWCBGBHWGLLE-LJQANCHMSA-N	418.888	5.058	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1nc(O)c2c(-c3ccccc3)csc2n1	533246648	SUJKOOAPWJVICI-UHFFFAOYSA-N	417.534	5.261	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc([C@H]2CCOC2)c1	535587867	WZDYHPOSUVJWFT-QHCPKHFHSA-N	412.489	5.202	30	20	HKED	
CC(C)(C)c1cc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c(C#N)s1	536971680	YHNHQXWLRSDYST-UHFFFAOYSA-N	424.595	5.382	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc12	538140699	AAZQCJZVRDCMCO-ZWKOTPCHSA-N	403.551	5.523	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1	538236236	HMHWWZUCEQBPPW-RBUKOAKNSA-N	405.567	5.064	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)Nc3cccc(OCCCC#N)c3)s2)cc1	538527522	NCUKNYOLDFHNCQ-MRXNPFEDSA-N	407.539	5.983	30	20	HKED	
CCC[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F	539325603	OJYKZDRWVFHKLB-BEFAXECRSA-N	417.525	5.429	30	20	HKED	
C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	540048492	XJSBHCMFNLINAD-SECBINFHSA-N	419.255	6.003	30	20	HKED	
CC(C)[C@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccc2nc(O)oc2c1	540315806	NJDMZDBKLHJYEU-XWEVFREBSA-N	405.498	5.082	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1F)N1CCO[C@H](c2ccccc2C(F)(F)F)C1	541048769	FULSWYJMKLAOTI-HNNXBMFYSA-N	421.312	5.077	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@@H](c2ccc(F)cc2)c2cccnc2)CC1	542494335	LPMFYWWCAQQDKV-RVMZIBIISA-N	401.485	5.162	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1ccc(F)cc1F)c1ccc(-c2cccc(C#N)c2)cc1	542935043	YXLDCTYXSOFASH-JKSUJKDBSA-N	405.448	5.181	30	20	HKED	
C[C@@H](NC(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(-c2cccc(C#N)c2)cc1	543917291	BBVTVARTVJWBEF-QGZVFWFLSA-N	424.479	5.256	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Oc2cccnc2)nc1	551051825	MHJBWWLMYGNHCO-UHFFFAOYSA-N	424.485	5.544	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3cc(-c4ccccc4)on3)cc2)cc1	553230411	BLBUIWVOKREUGZ-UHFFFAOYSA-N	409.445	5.130	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC(C)(C)CCC#N)cc1	553734816	PKHULFLYSQKFLR-UHFFFAOYSA-N	403.526	5.222	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)cc2)ccn1	555008112	PAWXYKFMQNVDGQ-XMMPIXPASA-N	421.460	5.052	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c1	556961811	RXWHBAMPKKSADZ-AWEZNQCLSA-N	422.712	5.144	30	20	HKED	
N#Cc1ccc(C2(c3nc(C(F)(F)c4ccc(Cl)c(Cl)c4)no3)CC2)cc1	574942806	NFNKBMQATZCHTD-UHFFFAOYSA-N	406.219	5.468	30	20	HKED	
COc1ccc([C@H](CCC#N)NCCc2c[nH]c3cccc(Br)c23)cc1	575221852	FPDZYMVGKFZWAV-IBGZPJMESA-N	412.331	5.116	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2=CCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	576437181	LIAQYNJAALJMJR-GOSISDBHSA-N	415.518	5.333	30	20	HKED	
CCOc1cc(CN(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OC(F)F	603656291	HRLNUGVVHDXGFA-UHFFFAOYSA-N	417.456	5.152	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cs2)o1	603763716	BXGVGTHDISWYGQ-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4nccs4)c3)o2)cc1	609058507	YOLBGDVQTMGTGB-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
Cc1nc(CCC(=O)Nc2sc3c(c2C#N)CCCCCC3)oc1-c1ccccc1	609298547	VZFNDESJKNBISN-UHFFFAOYSA-N	419.550	5.814	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)cc2ccccc21	609343648	RSJWQDZSNGBOGA-UHFFFAOYSA-N	409.424	5.100	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN1CC1CCCCC1	609452037	HIKAEKJGTQKANW-QUCCMNQESA-N	414.619	5.247	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)CC1	609508766	SZELMVFCMNJFGF-IVTPUCCMSA-N	410.517	5.321	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1	610350609	ROSSYTUIHLFOOA-UKRRQHHQSA-N	408.502	5.251	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2C(F)(F)F)cc1	613292829	YSKVZBOGNRPKCD-KRWDZBQOSA-N	420.394	5.238	30	20	HKED	
C=CCC1(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)CCC1	682896235	KBXXYKWHFNBQIS-QHCPKHFHSA-N	423.601	5.448	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC(c3c(C)[nH]c4ccccc34)CC2)c1=S	725770696	HEFFSXGKERSREX-UHFFFAOYSA-N	407.587	5.104	30	20	HKED	
N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)c1	726801034	CSZVAXBKTUESCL-WOJGMQOQSA-N	416.474	5.053	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)cc1	726875103	NUPHWSGEPLPMMV-VAWYXSNFSA-N	401.491	5.019	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4cc(Cl)ccc34)n2)cc1	727955881	WXDASAYYGVBLCA-GOSISDBHSA-N	416.893	5.235	30	20	HKED	
Cc1ccc(C)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	727979214	UACKXWPCRCNRNY-UHFFFAOYSA-N	421.953	6.216	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1	728481334	YBDVJLSLUIHDQU-UHFFFAOYSA-N	408.505	5.327	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)c1	728482385	JGNULICBZYRRTN-HTXNQAPBSA-N	404.469	5.573	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1	733805286	AAXRLKIGTLBFEQ-HNAYVOBHSA-N	419.447	5.289	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	735273440	PZTYYGQJKSLUDP-UHFFFAOYSA-N	405.435	5.255	30	20	HKED	
CC(C)[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccn1	736506775	GHYCORNFAAMLJT-QFIPXVFZSA-N	405.885	5.526	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(OCc4ccncc4)cc3)c2)s1	740011646	PREIPDHGRFPYND-UHFFFAOYSA-N	411.530	5.551	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)c(Cl)c1	740823688	HSORCCCZGPXNSI-UHFFFAOYSA-N	417.868	5.387	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)cc2)nn1	741713938	NKTXKRHGMGZLNU-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
C#Cc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)c1	743083592	AIDPVTAEPYUMQQ-DEOSSOPVSA-N	412.489	5.234	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1C(F)(F)F	744396715	QDSCRISDBQZYCQ-SFHVURJKSA-N	419.472	5.097	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2o1	744939314	VBIFWXCOWITQHW-XMSQKQJNSA-N	402.837	5.478	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)c1	745821462	QXVNTCNJKOEKIP-YFNKSVMNSA-N	405.542	5.154	30	20	HKED	
C#CCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1Cc1cccnc1	747041854	USSSHVQUPVBQDH-SANMLTNESA-N	419.484	5.014	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Cc2ccccc2CC#N)c1	752920595	XRWZTUBHPAGJOR-VPUSJEBWSA-N	410.517	5.061	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(F)c2cccnc12	759187410	OLDOKDNSTQSAKG-UHFFFAOYSA-N	414.465	5.003	30	20	HKED	
C=CC[C@H](N[C@@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C)c1ccncc1	766018408	HJGCKFAMHJKRQZ-XOBRGWDASA-N	401.341	5.851	30	20	HKED	
Cc1oc(-c2cccs2)nc1COC(=O)c1cn(CCCC#N)c2ccccc12	769542621	HEMMLPGXSMMDHU-UHFFFAOYSA-N	405.479	5.327	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	777116738	HQGZWIBGKUSDSA-QHCPKHFHSA-N	417.578	5.285	30	20	HKED	
COc1cccc(C=NOCc2cc(-c3c(OC)ccc4ccccc34)no2)c1OC	778023397	JGWOANQWNQPQMS-UHFFFAOYSA-N	418.449	5.071	30	20	HKED	
COc1ccc(OC)c(NC(=S)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782206866	YQFVDKKRJUBFMP-MRXNPFEDSA-N	417.534	5.290	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ncsc1-c1ccccc1	783127610	VWKLEPZRGYNXAI-UHFFFAOYSA-N	419.293	5.138	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(F)ccc1Br)c1nc2cc(F)ccc2s1	784865785	AJTAPSASBMMQEQ-ZDUSSCGKSA-N	421.266	5.146	30	20	HKED	
CC(C)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)[nH]c2c1	787523116	BOQQRRDYOUFGRN-UHFFFAOYSA-N	414.509	5.127	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3cccc(Cl)c3)CC2)c1	792939461	MNUKNUNZTSSDPP-NRFANRHFSA-N	409.917	5.020	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)C[C@@H](CC#N)c3ccccc3)cccc21	793635095	WJPPPCRNMOSALG-GOSISDBHSA-N	405.498	5.010	30	20	HKED	
CC(C)(CCC#N)COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	798879369	OITRMTHUXRCYKW-UHFFFAOYSA-N	404.466	5.101	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	806232431	CLPJYAGAPGWFJL-UHFFFAOYSA-N	417.937	5.026	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC	809618562	JOBMBTCJESWTQS-KXBFYZLASA-N	406.448	5.288	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)n1	810519608	IIBMHZZASUJPPI-ZDUSSCGKSA-N	403.479	5.007	30	20	HKED	
COc1cccc(-c2nc(/C=C3/CC/C(=C\c4cccc([N+](=O)[O-])c4)C3=O)cs2)c1	818245382	JHBMLZBVDAUNAR-BSTPEVQJSA-N	418.474	5.557	30	20	HKED	
COc1cc(C=NNc2ccccc2C(F)(F)F)ccc1OCc1ccncc1	912776439	AZFYUXGKHHOXRS-UHFFFAOYSA-N	401.388	5.134	30	20	HKED	
COc1ccc2ccccc2c1C=Nn1c(C)nc2sc3c(c2c1=O)CCCCC3	916273177	UYAAKQXSGKGPBU-UHFFFAOYSA-N	417.534	5.079	30	20	HKED	
COc1cc(C(C)=NNc2nc(C)nc3sc(-c4ccccc4)cc23)ccc1O	916311606	FGMKPIFOBOAJLO-UHFFFAOYSA-N	404.495	5.217	30	20	HKED	
CC(C)(C)c1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1	916911906	OKGHGDYCGUJDDL-INIZCTEOSA-N	400.931	5.077	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)ccc2c1	917040259	JAPBGVCFKRLEPK-KOTDBNOLSA-N	417.415	5.483	30	20	HKED	
O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc(Br)cc1Br	917145722	UTOZXTZVSJUUHO-RJRFIUFISA-N	417.078	5.077	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)cc1	917517372	DKZCIXZGADUILA-DHZHZOJOSA-N	419.481	5.158	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CSCc2ccc(Cl)cc2Cl)cc1	920110007	XRCZOFGNIVAEHI-KRWDZBQOSA-N	421.349	5.137	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(Cc3cccs3)n2-c2ccccc2)cc1	6993238	PUWFCXAHFZVLRJ-NRFANRHFSA-N	416.575	5.455	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(C)cc1C	10168782	MCAYZHPCVCAYSP-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2CC)cc1	10174344	FDEAOWZQJHTBJZ-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCOC2CCCCC2)cc1	24293428	CXBVBYDQRAPARL-UHFFFAOYSA-N	408.567	5.320	30	20	HKED	
N#CCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1	26227183	MMQWFNINTDHEKC-UHFFFAOYSA-N	406.458	5.394	30	20	HKED	
CCCOc1ccc(CN(CCC)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OC	47052889	YTVHGKBHAOCTLI-SFHVURJKSA-N	409.530	5.038	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3cccs3)c2)cc1	47570343	ROHTVVRJWWSINC-JOCHJYFZSA-N	417.534	5.762	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161601	AFDGNNRCDBTJSX-UHFFFAOYSA-N	417.534	5.613	30	20	HKED	
C=CCOc1ccc(CNCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1	63566651	VDDMTUIGGLFMIR-UHFFFAOYSA-N	415.459	5.363	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccncc2)nc2scc(-c3cccs3)c2c1=O	72033854	UOUAXWJXIRGSSN-CYBMUJFWSA-N	411.577	5.621	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	147957352	RJZNJYKPKUSTMO-HSZRJFAPSA-N	403.441	5.176	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1ccccc1F	219133470	NQRMDXXQMUGTEE-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc(NC(=O)c4ccco4)cc3)c2)c1	238119000	GZDNFZAQMCICLE-UHFFFAOYSA-N	423.472	5.595	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	303700381	BAOKVXIVCKBSBL-AWEZNQCLSA-N	413.361	5.071	30	20	HKED	
C=CCCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1	410364785	MIRMFZSQOJKDSV-UHFFFAOYSA-N	410.568	5.191	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](CC(=O)O)c3cccc(Cl)c3)c2)c1	426808676	ATXGVAJRONULPW-HSZRJFAPSA-N	420.896	5.096	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCCc3ccccn3)cc2Cl)cc1	435600824	GPAWQFONGUSFDF-UHFFFAOYSA-N	406.873	5.153	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H](c2ccc(F)cc2)O1	438066596	LTSNTRAFFPLJMX-GUXCAODWSA-N	413.518	5.071	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(Cc2ccccc2)no1	439647188	LTGXIAYPTOSZLO-INIZCTEOSA-N	414.440	5.637	30	20	HKED	
CCc1noc([C@@H](C)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	439650804	SODTXIVZTPAFLU-GFCCVEGCSA-N	402.376	5.488	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cc(NC(C)=O)ccc1F)c1ccc(C(F)(F)F)cc1	442196359	SCCLQKJBZGLPGZ-SFHVURJKSA-N	423.410	5.632	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)c2cn(CCCC#N)c3ccccc23)s1	444047780	GMBXWMFALGAQLM-UHFFFAOYSA-N	417.534	5.751	30	20	HKED	
Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(OCc3ccccc3)c2)c(C#N)c1C	444732003	PJRJTPRCJPRTOI-ZWKOTPCHSA-N	417.509	5.025	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1	460457949	FOCJPEOGKHEYQG-FQEVSTJZSA-N	408.473	5.053	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(-c2ccccc2C)no1	466645362	RUVZYTBEUQLZHJ-KRWDZBQOSA-N	417.538	5.267	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1-n1cccn1	470098434	SLNZWOXURFDZIS-GOSISDBHSA-N	424.529	5.386	30	20	HKED	
C=CC[C@H]1N(C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CCCC1(C)C	470302985	OPFDXBCVLLBHPN-LJQANCHMSA-N	400.544	5.034	30	20	HKED	
CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	470847512	NCWPYDOQKBYDIU-UHFFFAOYSA-N	417.421	5.218	30	20	HKED	
COC(=O)c1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	470860460	PYLSYGNTBYVIQB-MRXNPFEDSA-N	423.328	5.414	30	20	HKED	
COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)cc1OC	475539657	YPXHRVQXOFENHW-JOCHJYFZSA-N	420.553	5.132	30	20	HKED	
CCN(c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cn1)C(C)C	478082423	WGKNSICLHRDALI-LJQANCHMSA-N	404.539	5.238	30	20	HKED	
N#Cc1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)c(Br)c1	481132759	AVKFSOWJARDCRZ-HXUWFJFHSA-N	412.718	5.248	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	481999518	PMHXEKCOTXSFAV-MRXNPFEDSA-N	415.459	5.331	30	20	HKED	
C=CCN1CCC(N[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)CC1	482627095	CRFSCXRUNPIYLL-AWEZNQCLSA-N	420.420	5.182	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccn(C(C)C)n1	482771306	MTDXSYNQYZAHCD-UHFFFAOYSA-N	423.542	5.055	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1cnc2ccccc2n1	483231039	NBIFHTSTRLMIJO-QGZVFWFLSA-N	401.372	5.190	30	20	HKED	
CC1(C)CN(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CC[C@@H]1C(F)(F)F	484271129	AJMFRERUVCCCOC-ZDUSSCGKSA-N	416.337	5.209	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1OC	484492036	UCFGSYJJSFEYSW-HNNXBMFYSA-N	410.499	5.210	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3cc(C(F)(F)F)ccc3Br)CC2)c1	484805271	SZMNXBAPVDUSFW-UHFFFAOYSA-N	409.205	5.010	30	20	HKED	
C=CCn1c(SCc2ccc(OC(C)C)c(Cl)c2)nnc1-c1cccnc1	487720184	MYRMXENYFRXUAM-UHFFFAOYSA-N	400.935	5.259	30	20	HKED	
O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1cc(F)c(OC(F)F)cc1F	491300265	XTAXKRQZLMEWBX-BDAKNGLRSA-N	402.310	5.056	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1	495127015	HPQZMQAVLWRTPR-UHFFFAOYSA-N	416.197	5.009	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1	501059814	XSYIHDKGPVNFTN-OAHLLOKOSA-N	420.321	5.491	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2cccs2)cc1	505648703	WEMFXIQKLGWXLM-UHFFFAOYSA-N	406.463	5.022	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Cl)ccc1Br)c1cccc(C(F)(F)F)c1	505934382	YLFSNBQZJRVWQL-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)cc1	506953851	QOXSNWBJVPABAL-CZKPLACNSA-N	415.537	5.211	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	509062798	JBSFKVXDRBTKPH-UHFFFAOYSA-N	405.542	5.880	30	20	HKED	
N#Cc1csc(CN(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)c1	509392324	IQJPNPGVCSKLIM-UHFFFAOYSA-N	413.905	5.053	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1	509530433	YMJKMRVABYYXGC-KRWDZBQOSA-N	413.543	5.554	30	20	HKED	
C=CCN(C(=O)Cc1ccc(Br)s1)c1nc(-c2ccccc2)cs1	510210344	QNVMFZCKQHZCDM-UHFFFAOYSA-N	419.369	5.396	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-]	513670942	DSUNQJCCHKPBSS-INIZCTEOSA-N	422.510	5.110	30	20	HKED	
C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1	514616454	DRLBRMMPTCAFHF-UHFFFAOYSA-N	424.414	5.212	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	518169895	UTZNPXNJLCLMGD-UTKZUKDTSA-N	409.555	5.706	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c1	520049525	UXJOIAOAUGULHJ-UHFFFAOYSA-N	411.383	5.691	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCOc1ccc2ccccc2c1	520858052	KRWDOPQKZLSSCJ-KRWDZBQOSA-N	405.523	5.292	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)nc(C)n1	520905551	WEVJIPXBZNDLAX-CYBMUJFWSA-N	403.294	5.014	30	20	HKED	
CS[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	522707546	KGVWLDWSAJMSND-CTNGQTDRSA-N	409.555	5.127	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	523586312	CWAPWLOQIWWFGG-KRWDZBQOSA-N	423.438	5.725	30	20	HKED	
C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534873238	IAESAVZWTSBLRV-CQSZACIVSA-N	406.873	5.424	30	20	HKED	
C=CCC[C@H](NCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccccc1	537156307	FMHXGXXKOOGLLO-QHCPKHFHSA-N	419.594	6.187	30	20	HKED	
C=CCCC[C@H](C)NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1	537224727	LZSDXZPBXNNRJZ-NRFANRHFSA-N	407.554	5.175	30	20	HKED	
C[C@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(C#N)cc1	537292337	HQHPZKGQPOBJQP-UONOGXRCSA-N	412.356	5.856	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1	538025796	IVCFVBODPNVOCB-UHFFFAOYSA-N	412.493	5.204	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)NCc2ccc(F)c(C#N)c2)cc1OC	540377099	VRLRAABVLZMHQD-HSZRJFAPSA-N	404.485	5.097	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)N3CCCCC[C@@H]3c3ccccc3)n2)c(F)c1	541098235	HJYSCSVOLDHOQX-HXUWFJFHSA-N	403.461	5.032	30	20	HKED	
CCOc1ccc(-c2nc(CN(Cc3ccc(C#N)cc3)C3CC3)cs2)cc1OC	543175694	YSPVNDBXDBQKKY-UHFFFAOYSA-N	419.550	5.254	30	20	HKED	
Cc1ccc(C(C)(C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1	545438896	RCKUTBVHPFZMFA-UHFFFAOYSA-N	404.445	5.250	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H](C)c1nccs1	549677664	ZWCRMUYPMNXLMA-MRXNPFEDSA-N	418.570	5.074	30	20	HKED	
C=CCOc1ccc(CN[C@@H](c2cncc(Br)c2)C2CC2)cc1Cl	556410551	VDQWPFVYFKQIGM-LJQANCHMSA-N	407.739	5.303	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	558732892	QFQXIANDOXIDPV-UVUJQTEASA-N	419.594	5.430	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	574124436	VWFBTSNQDQOTIN-CQSZACIVSA-N	408.408	5.249	30	20	HKED	
CC(C)c1c(NCc2nnc(-c3cccc(C#N)c3)o2)cnn1-c1ccc(Cl)cc1	583375120	ZQJIZMYGEZAIPC-UHFFFAOYSA-N	418.888	5.183	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)N(Cc3ccccc3C(F)(F)F)CC3CC3)CC2)c1	586866609	MXPYMMNPAIDEQX-UHFFFAOYSA-N	416.418	5.187	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1	588831375	NKHNRVMJBOSPII-UHFFFAOYSA-N	414.726	5.956	30	20	HKED	
Cc1nc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	591618611	IDDUQZBXRNPNFQ-LVMMVAOKSA-N	416.635	5.032	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1	596385092	BBEAPVYVXWUTAH-GOSISDBHSA-N	421.566	5.516	30	20	HKED	
N#Cc1cccc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)c1	603749947	LZYRAVJNURZGQF-HXUWFJFHSA-N	407.267	5.080	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)s2)c(C)c1	604005449	NXVIUKUOGXYNCU-KRWDZBQOSA-N	416.531	5.436	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	604929703	OOZWTMMMEXONAF-NRFANRHFSA-N	423.859	6.042	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)cc1	608470615	ZAJVOKPYHNAOJY-LJQANCHMSA-N	417.553	5.122	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	609027972	KBTPBOYDLVHCCX-HXUWFJFHSA-N	419.550	5.323	30	20	HKED	
CCOc1ccc(Br)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	609080485	FRAFVAKQMCMETN-UHFFFAOYSA-N	416.319	5.162	30	20	HKED	
N#Cc1ccc(CNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c(F)c1	609228911	KVHGDQOWAIWQHK-UHFFFAOYSA-N	415.443	5.234	30	20	HKED	
CCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1	609436339	ZIYBKJJMNGVRKP-VGOFRKELSA-N	423.582	5.095	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1OC	609722715	YSQSPMLWZQLWJS-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CC[C@@](C)(NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C)cs1	610184767	LVFQSXUBDRVYPM-JOCHJYFZSA-N	409.486	5.310	30	20	HKED	
COc1ccc(CCN(Cc2ccccc2)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1	610408239	PFBWPJPZZUNTQG-FQEVSTJZSA-N	413.521	5.082	30	20	HKED	
CCc1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cnn1CC(C)C	611139404	NFJXYDWHFQZPMU-UHFFFAOYSA-N	406.461	5.157	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc2ccccc2n1	613290620	JKCZKADRHVDMLD-QHCPKHFHSA-N	418.452	6.050	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc(-c2ccc(C(C)C)cc2)no1	619791719	AUTFBAHZOXUILC-UHFFFAOYSA-N	418.884	5.057	30	20	HKED	
O=C(CSc1ccc(F)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157815	LBOQSMDYWSWOBO-MYJAWHEDSA-N	421.353	5.083	30	20	HKED	
Cc1ccnc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12	671751398	ITCQNMFZAVYEFL-HNNXBMFYSA-N	411.408	5.662	30	20	HKED	
C=CCOc1cccnc1-c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1	685401411	WALISOMJZSYLGE-UHFFFAOYSA-N	414.343	5.037	30	20	HKED	
C=CCc1cc(OCC)ccc1OC(=O)CCc1nnc(-c2cc3ccccc3o2)o1	726320645	PIYFVTXIHYVWCD-UHFFFAOYSA-N	418.449	5.148	30	20	HKED	
C[C@H](NC(=S)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccs1	726479975	CKXUUMMDLTZURL-INIZCTEOSA-N	409.555	5.397	30	20	HKED	
O=C1/C(=C\c2csc(-c3cccs3)n2)COc2c(Br)cccc21	728440979	YSTSSEJHLRHBNG-YFHOEESVSA-N	404.310	5.293	30	20	HKED	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	729534914	FRHLUOKLIBKZAX-MRXNPFEDSA-N	418.518	5.056	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1	730690898	ZWWHDGJLEBTAFM-KSFYIVLOSA-N	420.827	5.617	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)Nc1ccccc1SC[C@H](C)C#N)O[C@@H](C)C2	730989203	IQLFYGPWZNKIIO-WMXNSBIJSA-N	422.550	5.312	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1Cl	733211499	CEMUAKPJKRDLKV-UHFFFAOYSA-N	416.293	5.256	30	20	HKED	
N#CCOc1ccc(COC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1	733471711	TUPZVUULVYDYBE-UHFFFAOYSA-N	419.289	5.376	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2c(C)cc(Br)cc2C)c1	733842870	CQKYSGKHTTVIAP-KRWDZBQOSA-N	416.319	5.069	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	734708701	WDHVLDSLTZKQNW-QGZVFWFLSA-N	414.461	5.014	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1cnc2ccccc2c1C(F)(F)F	735337799	CAQLOKXLKBDWIB-UHFFFAOYSA-N	420.774	5.166	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(Oc3cnccn3)c2)c1	736480125	WHPZGXAWWFXJJW-UHFFFAOYSA-N	405.457	5.097	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1	736812852	KFLYNNXPHGOXAC-HNNXBMFYSA-N	408.479	5.262	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	739153901	ADBWYUNOAICWEU-ABAIWWIYSA-N	422.859	6.339	30	20	HKED	
O=C(/C=C\c1ccccc1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1	741446907	BSYALUVGPKGXJG-KAMYIIQDSA-N	419.340	5.062	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	743877319	OUGNOMQLDGOIIN-IQJJTXKVSA-N	416.546	5.486	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCSc4ccccc43)n2)cc1	744061466	LGWHALUQTSILSY-ROUUACIJSA-N	406.532	5.275	30	20	HKED	
C=C(C)COc1cc(/C=C(\Cl)c2nc(=O)c3ccc(Cl)cc3[nH]2)ccc1OC	747063414	JVAPEAMGVRSDSI-PXNMLYILSA-N	417.292	5.277	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cccc(-c3ccccn3)c2)cc1	747755995	ZLCALFFJICIRNB-UHFFFAOYSA-N	405.914	5.168	30	20	HKED	
CCCN(C(=O)c1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1)C(C)C	748629890	QOTJKIXCCYIUKV-NRFANRHFSA-N	406.530	5.114	30	20	HKED	
CC(C)Cn1c(-c2ccco2)nn(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1=S	751931022	HTXVHPVZFPNTAC-UXHICEINSA-N	421.570	5.059	30	20	HKED	
CC(C)(CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	754530101	CAXUMUUCQUFMGZ-GOSISDBHSA-N	416.493	5.407	30	20	HKED	
N#CCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3	756635249	JNXYMLOQAZTZLO-UHFFFAOYSA-N	409.580	5.171	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2)cc1	761815544	KGYXDZFDWCUXDP-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3ccc(C4(C#N)CC4)cc3)n2)cc1	762288271	JCCCNYWSJZOLIW-UHFFFAOYSA-N	416.481	5.230	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1	765520827	VALRXZDHIBYBCA-SFHVURJKSA-N	421.928	5.316	30	20	HKED	
Cc1nn(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1-c1ccccc1	766401442	XXCADKMDCORUQY-XMMPIXPASA-N	406.489	5.153	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc(F)c(F)c3C2)cc1	768970860	RSCKJHOJESVKGB-FQEVSTJZSA-N	403.432	5.210	30	20	HKED	
COc1ccsc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2F)n1	769744131	HCGZCDPXXMTPCD-GQCTYLIASA-N	420.462	5.072	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)n1	773958870	UYERUKWSCQUGCS-LJQANCHMSA-N	419.550	5.101	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	776916278	HXJALBHLWFCZHI-UHFFFAOYSA-N	415.440	5.046	30	20	HKED	
N#C[C@@H](C(=O)CCCCC(=O)c1ccc(F)cc1)C(=O)Nc1cccc2ccccc12	778605709	HGTRANPDAKJLFO-NRFANRHFSA-N	416.452	5.070	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12	791129540	LWPGFYJPVCGKBO-KRWDZBQOSA-N	424.529	5.801	30	20	HKED	
C[C@@]12CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C[C@@H]1C2(Cl)Cl	791198133	YLHHLIFYMMVGKO-AZUAARDMSA-N	401.293	5.006	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	793044770	SJYBTNFDKYNSQT-QFIPXVFZSA-N	407.473	5.812	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3ccc(C)o3)ccc2C)c1	797656730	VYAHNWMAGVUYAS-FQEVSTJZSA-N	403.482	5.566	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1	806348855	GWEOLUVDPZSYPP-OAHLLOKOSA-N	421.394	5.158	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(Cl)cc1	810163065	WFEUKZSRDLSKBO-NRFANRHFSA-N	403.869	5.088	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)s1	810716881	OADBABGJSHUWKJ-INIZCTEOSA-N	407.495	5.158	30	20	HKED	
C=CCN(C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)C(C)C	812582938	KJVXNMPMWVASOD-GOSISDBHSA-N	417.550	5.242	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C)cnc1Br	813000933	WZCMIYZQVJLGGO-UHFFFAOYSA-N	400.729	5.088	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1cc(C(F)(F)F)ccn1	813212782	GDWGDUDPDUKNJR-HNNXBMFYSA-N	408.470	5.459	30	20	HKED	
N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1	813212914	HLTYUZFRGFJXFB-ZDUSSCGKSA-N	404.335	5.088	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)CC3	915349961	CRGVMIVAQLNSCV-QHCPKHFHSA-N	420.516	5.722	30	20	HKED	
CC(C)Oc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1	915949918	VHSLZILQCDEHCO-UHFFFAOYSA-N	407.326	5.210	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccs2)ccc1OCc1ccc(C(=O)OC)o1	916137226	OYYFBYMJKWOIDZ-TWGQIWQCSA-N	412.463	5.002	30	20	HKED	
C=CCN(C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C(C)C	916708689	GUJJYOCIDJMPJK-UHFFFAOYSA-N	423.410	5.525	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	916888245	UIRVYTAKPBTJDL-WDMOLILDSA-N	420.403	5.017	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1	916904891	KAGDDJNVVJHGAW-LJQANCHMSA-N	420.465	5.058	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccs3)n2)cc1	916950183	RYOLZIRPAMPNDE-RDTXWAMCSA-N	423.563	5.275	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1	916973993	BXFQAJKNWGJXGS-LJQANCHMSA-N	410.926	5.807	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SC(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916977244	NOOHYSOWYZYAHN-OAHLLOKOSA-N	420.893	6.268	30	20	HKED	
CCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)s1	917559008	CPYCCRKRDMYSBB-POHAHGRESA-N	416.955	6.001	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccccc4C)CCOCC3)n2)cc1	920109490	GVIPEOOSBLWZMK-HXUWFJFHSA-N	416.546	5.352	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(C)(C)C)c4)CCC3)cc2)C1	1785806687	AIAWNAWNEPJOHX-UHFFFAOYSA-N	417.553	5.093	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1	1789456263	PTIPJNVRUBFHJQ-HSZRJFAPSA-N	413.521	5.074	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1	10953855	XTJNJFDBJHXEDN-UHFFFAOYSA-N	414.465	5.118	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2cccc(OC)c2)c1=S	21323222	ZWTJXCYFRZWSLT-UHFFFAOYSA-N	414.962	5.019	30	20	HKED	
C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C	36023194	CARBEWXCDALLEZ-FDIDITGRSA-N	411.552	5.159	30	20	HKED	
CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc(OCCCC#N)c3)n2)cc1	55569860	NIIQJSUGLCMONY-UHFFFAOYSA-N	418.497	5.114	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(Cl)cc2)CC1	59251716	OAGLNJGMDZMBOD-UHFFFAOYSA-N	403.869	5.378	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CNc2ccccc2Cl)cc1	63648658	HPHLEROIIGGIBK-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1	302196313	OTESRHGEDFVFRL-CQSZACIVSA-N	410.399	5.397	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CCc1cccc2ccccc12	303370364	JUTGVAUUMSQUTJ-LJQANCHMSA-N	417.578	5.205	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2cc(Br)ccc2[nH]1	303376062	URUMPAFXJBYNOX-GFCCVEGCSA-N	414.328	5.577	30	20	HKED	
C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1	429363488	JSLAGSCLUYHQDC-KRWDZBQOSA-N	415.497	5.143	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cccc(SCC#N)c2)cc1	430913120	RRKODCTVXDNZGS-XMMPIXPASA-N	415.562	5.511	30	20	HKED	
N#CCC1(CNC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CC1	432065599	UGGKKOJAUUXBDM-UHFFFAOYSA-N	403.404	5.100	30	20	HKED	
CC[C@H](C#N)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1	436046944	SIQSTYHFFNLSEA-OAHLLOKOSA-N	406.898	5.999	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)oc1C	437851408	SBUIXYQOMXHSDF-VXKWHMMOSA-N	400.482	5.262	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N(C)Cc1cccc(F)c1	439677247	XCHFFCKNIPHBJF-MRXNPFEDSA-N	421.447	5.088	30	20	HKED	
N#CCC[C@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccccc1	439678864	RLWDNSDYPAMCEM-KRWDZBQOSA-N	408.914	5.056	30	20	HKED	
CCCc1c(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cnn1-c1cccc(C#N)c1	440072425	CPTNDMLQXNZFGS-UHFFFAOYSA-N	416.378	5.107	30	20	HKED	
COCc1nc(CNc2ccc(C#N)c(C(F)(F)F)c2)c(-c2ccccc2)s1	440652699	NIOQHFHSZKSDTO-UHFFFAOYSA-N	403.429	5.459	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1ccc(C(F)(F)F)cc1	441533597	YXUJFPOOMATSKC-OAQYLSRUSA-N	424.507	5.846	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)s1	443796910	BXAVFZZPJKNUBA-QWHCGFSZSA-N	417.600	5.577	30	20	HKED	
N#Cc1cccc(/C=C\c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)c1	445314095	FSXANGHQEPDDEP-YPKPFQOOSA-N	422.444	5.085	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1)c1ccccc1	460387716	QBDAYLSSBOMRHV-IRXDYDNUSA-N	422.451	5.119	30	20	HKED	
C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(F)c(Br)c1	461903834	VEFBUQIVXFMKGC-AWEZNQCLSA-N	415.306	5.145	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1	465959653	CKOQGKRZAFIXGH-QFIPXVFZSA-N	413.949	5.157	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)Nc2cccc(C#N)c2)nc1-c1ccccc1	467229961	NLHGDRFFBKWXRG-HXUWFJFHSA-N	400.482	5.706	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	468192338	OVRHUHHOBGYTPK-ZJUUUORDSA-N	423.284	5.207	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCC(Sc4ccc(Cl)cc4)CC3)on2)c1	468980621	LWABKBJYOWGFAQ-UHFFFAOYSA-N	423.925	5.264	30	20	HKED	
CCOc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1OCC	469198963	ZIUSXROUCAPJPE-SFHVURJKSA-N	421.541	5.240	30	20	HKED	
COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2cn(CCCC#N)c3ccccc23)c1	469775391	LOEAZTXFURSXER-HOYKHHGWSA-N	401.510	5.177	30	20	HKED	
Cc1nc2c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cccc2o1	470832157	OPNBNDSSMSWJSI-LJQANCHMSA-N	401.853	5.697	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)cc1	471921566	CZRMPIALSVFPRC-RTWAWAEBSA-N	404.535	5.073	30	20	HKED	
Cc1cc(Sc2ccccc2)ccc1NC(=O)N(CCC#N)Cc1ccccn1	473798611	YPRYHXGLQBKICT-UHFFFAOYSA-N	402.523	5.489	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1C1CCCC1	475341169	AEAHXQWTNQRWNI-UHFFFAOYSA-N	415.497	5.180	30	20	HKED	
Cn1nc2ccccc2c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	475987168	GKUNEDDDUXGYCU-IBGZPJMESA-N	400.869	5.134	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C1CC1	477244268	NCRNJMKUDFDRJK-KRWDZBQOSA-N	414.509	5.434	30	20	HKED	
C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1C1CCCCC1	481372268	NMLXUNILKLWTCY-LJQANCHMSA-N	424.614	5.055	30	20	HKED	
C=CCSc1ccccc1NC(=O)CNc1ccccc1NC(=O)C[C@@H]1C=CCC1	487382121	UMOSIIALLQQFOB-GOSISDBHSA-N	421.566	5.310	30	20	HKED	
Cc1sc2nc([C@@H](C)Sc3nc(C(F)(F)F)ccc3C#N)nc(N)c2c1C	488727935	FARQIGZDQUWWNY-SECBINFHSA-N	409.462	5.029	30	20	HKED	
Cc1ccc(-c2noc([C@@H](C)Sc3nc(C(F)(F)F)ccc3C#N)n2)cc1F	488738324	UFJBPLDSAAPNIP-SNVBAGLBSA-N	408.380	5.323	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccccc2NC(=O)C[C@@H]2C=CCC2)c1	492359262	WBBQZPLEXQPUAO-OAHLLOKOSA-N	410.315	5.228	30	20	HKED	
CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	494217265	USIYEXRXRUJJHE-PBHICJAKSA-N	415.588	5.135	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	497521280	SDTDLFZBUWIKLC-FQEVSTJZSA-N	420.900	5.321	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCc4c3ccc(Cl)c4Cl)cc2)nc1	499340786	POMLZJUBDDYNJV-LJQANCHMSA-N	424.287	5.470	30	20	HKED	
Cc1c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cnn1CC(C)C	500163717	UPILFBINDBQYGW-UHFFFAOYSA-N	408.889	5.417	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12	500619761	UVGDHFHWPAJFGW-UHFFFAOYSA-N	418.497	5.211	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	505448567	BPSWTWZUMSJYEL-HNNXBMFYSA-N	402.306	5.671	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	508219301	QLCWIXGBCPURFS-UHFFFAOYSA-N	408.521	5.298	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C	509491399	IHCGMKPZISKSGT-UHFFFAOYSA-N	418.806	5.192	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)[C@H](C)c1ccc(C#N)cc1	509572114	AZBZUQWXWUEBKD-GOSISDBHSA-N	423.520	5.213	30	20	HKED	
C=CCN(C(=O)Cc1cc(C)on1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	510940668	CMAHYCBXWAXJKW-UHFFFAOYSA-N	408.310	5.175	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c(C#N)c1C	511829779	LYQOAWJLBRUHKF-IRWQIABSSA-N	419.447	5.040	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@](F)(c4cccc(Cl)c4)C3)cc2)nc1	512392989	MWIKCUSAUNURLI-HSZRJFAPSA-N	421.859	5.110	30	20	HKED	
CC(C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)Oc1ccccc1	513425931	CFSNQYBPTSASSB-UHFFFAOYSA-N	402.519	5.297	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc2cc(Cl)ccc2s1	516074438	UPDNFVTZTMLROW-HNNXBMFYSA-N	413.289	5.279	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(Cl)c(Cl)c1	518849181	RBFFWMYKXQBGRK-GOSISDBHSA-N	419.239	5.299	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	519027999	XHCAUVZWJYLBDP-HXUWFJFHSA-N	404.988	5.397	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12	519423770	CZKPOURWQSLNCA-INIZCTEOSA-N	400.503	6.019	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(Cc2ccccc2)n1	520924452	XCBPGOSNTCMWRX-MRXNPFEDSA-N	407.564	5.309	30	20	HKED	
COc1ccc2c(c1)CCCN(C(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)C2	521139360	VQJGAYIGLSGWFI-UHFFFAOYSA-N	412.489	5.142	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](CN3CCCC3)c3ccccc3)c2)c1	521826008	GCBNHCKMGLUUHF-HHHXNRCGSA-N	411.549	5.064	30	20	HKED	
CS[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	522707548	KGVWLDWSAJMSND-PZJWPPBQSA-N	409.555	5.127	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cc(Br)ccc2OCCC)cc1	524458503	DYXQXZGPDGBCFS-UHFFFAOYSA-N	418.335	5.158	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	524492377	XMWHNKVTMGJBTJ-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c(F)cc(F)cc3F)cc2Cl)c1	525029421	SFDCCSFWSYUMRD-UHFFFAOYSA-N	416.786	5.460	30	20	HKED	
Cc1cnc(CCN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	533173474	BWKXHLMOPGUUJT-IBGZPJMESA-N	424.957	5.467	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c(C)noc1C	533857410	KQYVDIKBOPWEJW-NRFANRHFSA-N	418.497	5.209	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1	534023162	XZZRDMIRWIBGNX-QGZVFWFLSA-N	415.518	5.585	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C(F)F	534122742	WVWHFULMFGCEHS-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21	537256478	DBTODNKQGNIXSV-WMLDXEAASA-N	415.946	5.770	30	20	HKED	
C[C@@H](NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(C#N)c(F)c1	540708012	PCDCBZBVMSCCMC-LJQANCHMSA-N	410.496	5.460	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(F)c1	540751896	RXYDLFXKFJSFOJ-UHFFFAOYSA-N	406.388	5.278	30	20	HKED	
CN(C(=O)c1ccc(-c2ccc(Br)s2)s1)c1ccc(C#N)cc1	541069944	OEUXFSFVXGIDKE-UHFFFAOYSA-N	403.326	5.387	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(F)cc1Nc1ccccc1F	541240818	XBPVOJBVNQCBIZ-UHFFFAOYSA-N	423.467	5.007	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)cc1	541380948	VIVRCNYMNAFLQC-UHFFFAOYSA-N	407.473	5.221	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	543648329	SQDFELDXLXLDBG-GGAORHGYSA-N	405.542	5.695	30	20	HKED	
N#CC1(c2ccc(-c3nc(Cc4c[nH]c5cc(Br)ccc45)no3)cc2)CC1	545132141	LSIQWHJQZBNQAD-UHFFFAOYSA-N	419.282	5.126	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC(C)(C)c1c(C)noc1C	558303787	CMENXYFVSIUNPX-UHFFFAOYSA-N	404.470	5.321	30	20	HKED	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	561408495	QQSDQLDZHQLNSE-SFHVURJKSA-N	410.587	5.196	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1ccccc1CSc1nc2ccccc2o1	568424229	HLXUUGYFMUNBGB-UHFFFAOYSA-N	414.490	5.286	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F	574841490	YDQRNRWIXFPZCK-OAHLLOKOSA-N	403.404	5.108	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)on2)c1	576385590	WMDCJGHZWXBEGY-UHFFFAOYSA-N	422.469	5.742	30	20	HKED	
N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1Cc1ccccc1)CCCC2	585688452	WBOYJZSINKYNHI-UHFFFAOYSA-N	413.546	5.154	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	603727409	QQUYJHAXLLFVFF-UHFFFAOYSA-N	422.506	5.322	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)CCCC(=O)N2	604358650	ZAARGDDBZOIHOO-UHFFFAOYSA-N	411.461	5.186	30	20	HKED	
COC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1	605338780	FZEOCEHSKXXHPV-OAHLLOKOSA-N	424.316	5.373	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)o2)cc1	609056545	VSSNSNBBEYWIRS-NRFANRHFSA-N	406.869	5.361	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609378182	ZNEGDNAETULNOF-MRXNPFEDSA-N	417.490	5.234	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl	609431622	QXBQZLOYBDTSCI-LLVKDONJSA-N	421.374	6.855	30	20	HKED	
CN(C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(C#N)cc1F	609558531	JTOWIWHRMDCHFQ-VXKWHMMOSA-N	400.453	5.043	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H]2c2ccccn2)c1	609730933	IGLRXHPUOWWYAH-OAQYLSRUSA-N	403.869	5.376	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)nc1-c1ccccc1	610112856	GPTNNRSFGLJPAG-OAQYLSRUSA-N	415.493	5.079	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1cccc(C#N)c1	611095937	YUKOSQRJZGNAOA-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
Cc1ccncc1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	611302893	DLLHKASFTRVZCB-INIZCTEOSA-N	420.900	5.377	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc(-c2ccc(Cl)cc2)cs1	613319357	CWYKWDQYPGOLGD-INIZCTEOSA-N	421.934	6.077	30	20	HKED	
N#C[C@H](C(=O)c1sccc1Br)c1nc(-c2ccc(Cl)cc2)cs1	613319582	HZBFVTSPPYMRFE-LLVKDONJSA-N	423.744	5.778	30	20	HKED	
CSc1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)n1-c1ccccc1	613406878	ADKOCDVOTBSFTA-CQSZACIVSA-N	424.938	5.347	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1	619655418	VDFJJMZCMHMCBK-HNNXBMFYSA-N	403.463	5.109	30	20	HKED	
C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(F)c1F	678022367	LDXDTGZTUSPPPE-GUBZILKMSA-N	418.328	5.235	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	681402982	AVORIKGRQLRWJH-BXKDBHETSA-N	404.301	5.535	30	20	HKED	
CN(C(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(Br)cc1Cl	726475101	MFGFYMXLTGLFQJ-UHFFFAOYSA-N	415.143	5.461	30	20	HKED	
CC(C)(NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	728745335	TUWKWXSZQXJYNH-VXGBXAGGSA-N	414.365	5.270	30	20	HKED	
CC(C)CCO[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	729068877	BEBYQJTUMXNZCU-SWLSCSKDSA-N	411.354	5.744	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)c1C#N	730493481	GYPSWYCHINKEDT-UHFFFAOYSA-N	412.518	5.662	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C#N)c2n1CCC2	731938694	ROGWPNCJPFKLGF-YVMONPNESA-N	421.840	5.332	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1	732071996	RXLKWWHZMVLFMS-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccc(Cl)cc2[nH]1	732549180	ZSSLPMITWPLYQX-CQSZACIVSA-N	416.868	5.371	30	20	HKED	
C=CC[C@@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccncc1	734461505	ZAZZVZQHMFFOPP-LJQANCHMSA-N	401.535	5.508	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)/C=C\c2ccnc3ccccc23)cc1	735434582	XDISALWYGAHOJN-SEYXRHQNSA-N	421.475	5.488	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)c1	739023343	MSLBRZDCTHFKML-ZFJSRUIDSA-N	405.542	5.359	30	20	HKED	
COC(=O)[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(C#N)cc1	739988597	CJLWPMBCYMZJDL-JOCHJYFZSA-N	417.852	5.202	30	20	HKED	
COc1ccccc1-c1ccc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1	741468851	MTBXOTIPTXMZPF-PXLXIMEGSA-N	414.530	5.871	30	20	HKED	
CC(=NNc1ncnc2c1cnn2-c1ccccc1)c1ccc(SCC(F)F)cc1	741761042	IDNHWFYLTZMMDK-UHFFFAOYSA-N	424.480	5.009	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)NCc3ccc(OC)c(O[C@H](C#N)CC)c3)o2)cc1	742673743	BHWCSKQHRSZVED-FQEVSTJZSA-N	418.493	5.129	30	20	HKED	
C[C@@H](OC(=O)/C=C\c1ccccc1C#N)c1ccc(N(C)Cc2ccccn2)c(F)c1	744204406	QKAJSXCLVCGUGW-FWFZHJKVSA-N	415.468	5.046	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CC[C@@H](c3ccccc3)[C@@H](CC)C2)c1=S	746384312	YHUPVIVWXBJFOF-SIKLNZKXSA-N	419.598	5.135	30	20	HKED	
Cc1ccc(Cn2nc(C)c(CCC(=O)[C@H](C#N)c3nc(C(C)C)cs3)c2C)cc1	747193369	IUZWSAUDNWLNPJ-NRFANRHFSA-N	420.582	5.246	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)cc1	747339644	YPFXDBDZJGEIPY-LJQANCHMSA-N	416.330	5.345	30	20	HKED	
CC[C@H](C(=O)N1CCC(/N=C/c2c(O)ccc3ccccc23)CC1)c1ccccc1	749105722	XMIFUOLUMFSDNC-RHOWTMNOSA-N	400.522	5.149	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1Cl	749900323	OGHJXMNAPUVBNV-UHFFFAOYSA-N	412.946	5.539	30	20	HKED	
Cc1cc(CCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1Br	751838806	HSPGWHCNDFMMLW-CQSZACIVSA-N	417.303	5.315	30	20	HKED	
CCOc1ccc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)c2cccc(Cl)c2)cc1	752104348	LHTUZHQDQDVEAZ-IQGLISFBSA-N	420.940	5.909	30	20	HKED	
N#CCc1ccc(NC(=O)CSc2nc3cc(C(F)(F)F)ccc3s2)cc1	753854995	UNPMKLFVCIIRMU-UHFFFAOYSA-N	407.442	5.112	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3csc(-c4ccccn4)n3)c2)s1	757966167	RFRJQBZVVAHJLN-UHFFFAOYSA-N	417.519	5.127	30	20	HKED	
C=C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	759208616	QIIURWREDRUKJS-RDTXWAMCSA-N	400.450	5.009	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	759213174	HYEYCAXRVLSGCM-KUHUBIRLSA-N	410.926	5.527	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(Cl)cc3C(=O)c3ccccc3)o2)cc1	760449694	KPESWOPOCKKWCG-UHFFFAOYSA-N	414.852	5.105	30	20	HKED	
O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccc(S(=O)(=O)C2CCCC2)cc1	761479722	MSHIDFZPDRIMNX-XFFZJAGNSA-N	410.322	5.001	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)Cn3c(C4CCCCC4)nc4ccccc43)[nH]c12	762063351	IEMNEGLAXGYXTG-GOSISDBHSA-N	411.509	5.145	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)n1	766385334	WBSVGEBCIAADEK-DOTOQJQBSA-N	419.591	5.116	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1)c1ccccc1	772626325	QZWMXYJRSKKXAE-GOTSBHOMSA-N	404.510	5.232	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1	776518754	WOFZOXUNVRQIHO-IBGZPJMESA-N	416.477	5.430	30	20	HKED	
COc1ccc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)cc1OCCCC#N	777466722	FNKNLUHAAJIHHE-XNTDXEJSSA-N	416.399	5.004	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCSCc1ccnc(Cl)c1	779611850	NZOCRJOFQJEBNA-CQSZACIVSA-N	420.991	5.184	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CCC2	780585755	YDUPTJWJJFRFHM-SFHVURJKSA-N	422.485	5.454	30	20	HKED	
N#C[C@@H](C(=O)CCCCC(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	783364397	ODBOCJBHBKFLDC-INIZCTEOSA-N	424.472	5.708	30	20	HKED	
Cc1sccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	786928144	BRXKDHODPPTPQV-AWEZNQCLSA-N	407.347	5.906	30	20	HKED	
O=C(/C=C\c1ncc(C(F)(F)F)s1)c1ccc(OC(F)F)cc1OC(F)F	788350493	PXYJXOISEAFIMV-ARJAWSKDSA-N	415.286	5.261	30	20	HKED	
C=C(C)[C@H](NC(=O)Cc1sc(SC(F)F)nc1C)c1ccc(F)c(F)c1	793850461	OUQUGOUCOLVHAT-HNNXBMFYSA-N	404.454	5.021	30	20	HKED	
C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1	802565934	RIKAMPNLCFWSFZ-UHFFFAOYSA-N	412.541	5.090	30	20	HKED	
CC[C@H](NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)cc1	806181165	AZYRBMGKHXYQCG-QFIPXVFZSA-N	405.542	5.487	30	20	HKED	
Cc1cc(CN[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1C#N	810173985	MJNOYBVNXXYPOA-NRFANRHFSA-N	421.541	5.606	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813214919	FMFCLWAQILWVMX-BXKDBHETSA-N	419.255	5.764	30	20	HKED	
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@H](CCCC#N)c1ccccc1	817324329	AIEQMAVFMYMEKP-HSZRJFAPSA-N	416.477	5.145	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	819275971	YCKXTOCAJDTOCF-UHFFFAOYSA-N	402.479	5.199	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc2nc(O)[nH]c2c1	834826965	GYTGRSBBOSZTAM-WCIBSUBMSA-N	417.852	5.070	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(C)cc1	915086633	VVGZMBNYEKSPAS-DEOSSOPVSA-N	420.516	5.651	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353732	QIZCSNGHUQYBHQ-HRAATJIYSA-N	405.448	5.845	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1cc(Cl)cc(Cl)c1	916001205	XMKMJGNBUCHPOD-UHFFFAOYSA-N	415.305	5.861	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc2ccccc12	916886034	CRAJJAQYCKFBEU-AWEZNQCLSA-N	402.447	5.177	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	916945970	GYHPCNPHLYTLOQ-BFVZDQMLSA-N	407.219	5.009	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3cccc(Cl)c3)n2)cc1	916971533	BMFXABDYHXVRRJ-GOSISDBHSA-N	412.967	5.882	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1	919966054	VIJYLIVEOPTING-AHWVRZQESA-N	409.533	5.193	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1	1786904242	XQWQRZVWLDCAIS-JOCHJYFZSA-N	406.526	5.115	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CCC3)cc2)CCC1	1787938807	HRECEUYJJGDTAD-HNNXBMFYSA-N	408.464	5.065	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCCCn3cccc3)cc2)CCC1	1789604899	VFLCZJUAORNGLW-FQEVSTJZSA-N	407.558	5.005	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccncc1	6907788	CYUUMMBARRHADY-KRWDZBQOSA-N	421.570	5.077	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccs3)n2Cc2ccccc2)cc1	7426696	BCQBCBXAXMXDNS-HXUWFJFHSA-N	416.575	5.590	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2)cc1	10170850	YKSVIIDYUIVMKU-UHFFFAOYSA-O	409.600	5.656	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1nc(-c2ccccc2)cs1	41533648	YWKSFHJKOCKMLH-OAQYLSRUSA-N	401.535	5.286	30	20	HKED	
COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1OC(F)F	51152295	JQAGZEHXXHEGBW-OAHLLOKOSA-N	414.433	5.219	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1	63402928	AYRWBHVISAYRTD-HXUWFJFHSA-N	405.542	5.064	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCOCc1ccccc1	64935462	YRGXXGUYUGNYCM-UHFFFAOYSA-N	400.478	5.595	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[C@H](C)c1ccc(C#N)cc1	65839830	NQBQZVJIPDTLTF-GOSISDBHSA-N	412.493	5.426	30	20	HKED	
C[C@@H](NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Cl)cc1	108347923	AXWOPKGMJBOVIT-QGZVFWFLSA-N	419.912	5.080	30	20	HKED	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cnn(C(C)C)c2)cc1	214920470	XAXZWGVYPUUYSB-KAMYIIQDSA-N	412.493	5.221	30	20	HKED	
C=CCn1c(SCc2ccccc2OC(C)C)nnc1[C@H]1COc2ccccc2O1	409990833	GFQHPDLHGJCANQ-OAQYLSRUSA-N	423.538	5.056	30	20	HKED	
CCCCn1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1CC	429116197	QFMBVBIMOILYHG-ZDUSSCGKSA-N	414.481	5.137	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cc1	432770365	WKUDQFTUAFTFOO-HXUWFJFHSA-N	423.944	5.176	30	20	HKED	
N#CCCC[C@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1	433033061	CWOHPZYYOZIPHR-QFIPXVFZSA-N	421.928	5.241	30	20	HKED	
COc1cc(CN[C@H](c2ccccc2)C(F)F)ccc1OCc1cccc(C#N)c1	433067195	JXOJYDVDQNBSSQ-HSZRJFAPSA-N	408.448	5.242	30	20	HKED	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	435102456	HTVISWLOIXWSCZ-HOYKHHGWSA-N	424.504	5.220	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1C#N	435555340	XPIAEKQVXGRPRI-MRXNPFEDSA-N	424.570	5.092	30	20	HKED	
C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1F	437047205	ZUJYVQAJWIFEIY-DIFFPNOSSA-N	404.329	6.060	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)cc1Cl	439232610	XSEDZUMYUYSWHC-FYYLOGMGSA-N	423.944	5.418	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-]	439256075	HGHOAINYHAYLIG-OAHLLOKOSA-N	418.478	5.161	30	20	HKED	
CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1	439291745	CEVBAUQTRFPWKN-QFIPXVFZSA-N	406.530	5.115	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	441042697	RFCMBOSZSKDXCL-UHFFFAOYSA-N	409.555	5.015	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c2ccccc21	444041086	WJSJXROQXZJWTG-UHFFFAOYSA-N	422.488	5.450	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	463580966	ALQJJWTZSUFPPI-UHFFFAOYSA-N	416.477	5.073	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(-c2cccnc2)cc1	464893435	LDQCUHFEMCHLBX-UHFFFAOYSA-N	421.525	5.701	30	20	HKED	
Cc1cc(Cl)c2c(c1)[C@@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCO2	468840556	DQAZDTAXQWILJI-NRFANRHFSA-N	423.944	5.557	30	20	HKED	
Cc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1NC(=O)NC(C)(C)C	470588885	USYUDZQWHCGFOI-UHFFFAOYSA-N	412.578	5.144	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2)n1	471375620	ZRTPYAIEPLQPNQ-ZDUSSCGKSA-N	423.731	5.077	30	20	HKED	
Cc1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(C(F)(F)F)o1	472375093	KMXJEQRDLQWRCZ-LLVKDONJSA-N	419.243	5.659	30	20	HKED	
C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N(CCC#N)Cc3ccccn3)c2)C1	473788288	JZAPOYYIQQMCNH-XXBNENTESA-N	406.530	5.125	30	20	HKED	
C=C(C)[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1	475680848	XGUXWEMVBRCPBZ-FQEVSTJZSA-N	417.843	5.034	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1	475762008	SMSRDSQVGMHNDK-YWZLYKJASA-N	421.299	5.120	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2nc3ccccc3s2)CC1	476115979	AAFXIXLXDQDXSK-UHFFFAOYSA-N	419.594	6.003	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1	476791063	JAISHKLMTKHGTE-UHFFFAOYSA-N	403.526	5.961	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1F	478959996	LUZAYHHCJSXAGT-UHFFFAOYSA-N	423.822	5.013	30	20	HKED	
COc1cc(Cl)ccc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N	479589308	KWOOQGCCBCHRQZ-CQSZACIVSA-N	420.987	5.615	30	20	HKED	
CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CCO1	479681883	FOPVVZOHCRHLLQ-PZJWPPBQSA-N	408.567	5.423	30	20	HKED	
CN(Cc1ccc(Br)cc1Cl)C(=O)N[C@H](CCC#N)c1ccccc1	479728062	FUGNVIUOUIRSOP-GOSISDBHSA-N	420.738	5.289	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)c2)cc1	480350153	VPYQEYXCXJXLON-SFHVURJKSA-N	415.493	5.166	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)cc1	482027308	VWYPSCZBKJTQDP-UHFFFAOYSA-N	405.457	5.589	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C	482047231	JSSXBLABDQLSHD-QGZVFWFLSA-N	407.562	5.396	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc12	483225991	JCQJBASONCZJIO-NRFANRHFSA-N	422.513	5.493	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c12	483226141	JRXLTOQDDBUZPR-IBGZPJMESA-N	424.504	5.727	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2cc3sc(C)nc3cc2Cl)c(OC)c1	484705782	VAONUFNMNSIYRY-UHFFFAOYSA-N	402.903	5.013	30	20	HKED	
COc1cc(SC)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	487448705	RALUSMICAHZJQQ-UHFFFAOYSA-N	404.491	5.120	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc(Cl)cc(F)c1Br)c1ccccc1	487547051	XGGJLPAMNDTBSV-INIZCTEOSA-N	409.686	5.407	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12)c1ccccc1	487596990	TZSVOWJASMWUMM-QNWVGRARSA-N	423.354	5.204	30	20	HKED	
Cc1cnc([C@H](C)Sc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)cn1	488245478	GFBKYSJVNGKKDZ-LBPRGKRZSA-N	404.417	5.492	30	20	HKED	
C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	491316558	LXWRSPUXTAPMJY-UHFFFAOYSA-N	415.946	5.305	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	495531319	RZQPADPZMRLMES-SFHVURJKSA-N	417.534	5.427	30	20	HKED	
Cc1csc(C2(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CCCC2)n1	496057680	ZUGQINLBQAGWKX-UHFFFAOYSA-N	417.534	5.509	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N(CC#N)c2ccccc2)c2cnn(C(C)C)c2n1	497354204	CLOOVQQNHGHOHW-UHFFFAOYSA-N	409.493	5.158	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC(CC(F)(F)F)CC1	500916742	KEUNNNOEQXXJHT-CQSZACIVSA-N	400.338	5.193	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c12	506004329	ZNNCJAMJZGUXLI-CQSZACIVSA-N	420.494	5.505	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2c1	507700150	WLAZLYMOXKMRIZ-OAHLLOKOSA-N	417.534	5.625	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OCc3ccncc3)cc2)cc1	507893430	XZVMUQUUFDYDGO-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2Cl)c1	510829636	ZOPWIFAYVKGYJJ-UHFFFAOYSA-N	422.271	5.568	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(OC(F)F)cc1	513213684	DNFJEXGHYRLCMH-OAHLLOKOSA-N	423.419	5.391	30	20	HKED	
C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Oc2cccnc2)cc1	514166114	ZLAVRJQFUGNHFI-IBGZPJMESA-N	424.504	5.305	30	20	HKED	
C=CCn1c(SCc2c(Cl)ccc3cccnc23)nnc1-c1ccccc1OC	514435284	XQFQUCIPVZHDTO-UHFFFAOYSA-N	422.941	5.634	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cccn2)cc1	517461460	IQFXLBHSMAAGTJ-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
N#Cc1cc(Br)ccc1CNc1ccccc1NC(=O)C[C@@H]1C=CCC1	518002527	MJARFKMREOLJNZ-OAHLLOKOSA-N	410.315	5.228	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1cccc(Br)c1	518150899	INOMLZNGMKGXMQ-AWEZNQCLSA-N	417.372	5.617	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	519513794	XXHWCHOTPGZFLC-INIZCTEOSA-N	403.507	5.512	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1	520856691	NLVZECVLXKXCGW-JUXOCIIHSA-N	409.555	5.228	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(C#N)cc1	521272963	ZKOCXFGNXQKXBS-HNNXBMFYSA-N	416.868	5.758	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1	521598547	GKWFLOFJYNYTME-UHFFFAOYSA-N	414.433	5.539	30	20	HKED	
C=CCOc1ccccc1CNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	521987121	IIXXHTFBURFWFH-RBUKOAKNSA-N	404.535	5.227	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)N(C)Cc3cccc(C#N)c3)cc2)c1	524355356	CILZFIMUXRRXPG-HXUWFJFHSA-N	413.521	5.348	30	20	HKED	
COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	535530416	SMOJUOBYKZOFGV-GOSISDBHSA-N	414.461	5.172	30	20	HKED	
CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cccc(OCCCC#N)c1	536140990	LTAZVGSBONACPX-UHFFFAOYSA-N	421.541	5.006	30	20	HKED	
C[C@@H]1CC[C@]2(CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)C1	541041243	IEHXVKCMLXILAK-CLOONOSVSA-N	403.526	5.376	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	542015401	KTKUHEXPEQBOFH-UHFFFAOYSA-N	411.918	5.072	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCCCC(C)(C)C#N	544462245	XXQFPKZAFIWXEC-CYBMUJFWSA-N	406.393	5.862	30	20	HKED	
COc1cccc([C@@H](CNc2cc(C)nc(C#N)c2)c2c[nH]c3ccccc23)c1OC	553249640	RVUFXTBDVLFUQY-JOCHJYFZSA-N	412.493	5.004	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	557661715	XFHRWSWUXVHGBH-UHFFFAOYSA-N	418.921	5.146	30	20	HKED	
COc1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)cc1OCCCC#N	558575229	ICVVXNZPMBPSLA-UHFFFAOYSA-N	423.488	5.038	30	20	HKED	
Cc1ccc(Oc2cc(-c3noc([C@H](C#N)Cc4ccc(C#N)cc4)n3)ccn2)cc1C	564610650	VPIMBBHMTZTSRE-NRFANRHFSA-N	421.460	5.262	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1	569100178	VNNXENVEGKEDIZ-KDURUIRLSA-N	416.443	5.852	30	20	HKED	
N#CCCCOc1cccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	604008798	GLRIJXUQMACZKZ-UHFFFAOYSA-N	411.811	5.092	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	604387903	IKFFNPNGYULHJM-MHECFPHRSA-N	416.496	5.575	30	20	HKED	
Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4sccc4C#N)cc3s2)s1	608818025	SRJGVTCDDFGYOI-UHFFFAOYSA-N	424.532	5.104	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1	609064167	KFLVAORFDDABGN-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	609378404	KLNRCFYSHDTKRG-AWEZNQCLSA-N	408.445	5.426	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Nc4ccccc4)nc3)cc2)nc1	609516765	NEFJSRHTLXCEGZ-UHFFFAOYSA-N	407.433	5.136	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(Br)cc1	609772804	LBENIDRQQGQLAZ-AWEZNQCLSA-N	418.360	5.065	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)Nc3cc(C#N)c4ccccc4n3)s2)cc1	609893996	ZBDASNGZMDGMBY-AWEZNQCLSA-N	400.507	5.720	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c2)n1	609987674	PICORDLTZJJFRT-UHFFFAOYSA-N	409.449	5.221	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)cs2)cc1	610053829	QGGSIIDYPCGJBB-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
C[C@H]1CCCN(Cc2ccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2)C1	611096125	PACMCAWLRGOMPL-AWEZNQCLSA-N	402.325	5.349	30	20	HKED	
CCc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cnn1CC(C)C	611139482	YEQWVVWGSIZYGR-UHFFFAOYSA-N	404.539	5.377	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	615506472	RYSMDQRLBNPSFM-UHFFFAOYSA-N	407.445	5.242	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1SCc1ccco1	656858214	RQZHPMUUUOZNOS-UHFFFAOYSA-N	415.436	5.372	30	20	HKED	
FC(F)(F)c1ccc2oc(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)nc2c1	675885573	YSDVKROJLSDDSW-AOOOYVTPSA-N	420.275	5.409	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(C2CCCCC2)n1)c1nc2cc(C(F)(F)F)ccc2s1	684631572	SSZKENSFKRYMEQ-AWEZNQCLSA-N	418.444	5.507	30	20	HKED	
COc1ccc(N(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726452585	XDUQOKOXGUUMOK-UHFFFAOYSA-N	407.926	5.624	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C	726702277	MAAQUYWURGEIRP-UHFFFAOYSA-N	413.543	5.266	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1	727629264	QDCRPRAFHHPVDM-HNNXBMFYSA-N	419.893	5.459	30	20	HKED	
COc1ccc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)c(OC)c1OC	727655455	WYQLMWCZGGCPMF-BENRWUELSA-N	409.507	5.349	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccsc3)n2)Cc2c(F)cc(Br)cc21	727780945	XCXXBNWMTVQVQL-KMKOMSMNSA-N	406.301	5.596	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1	728739202	XNILNYXJMUXTPK-QHCPKHFHSA-N	417.459	5.817	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	728766927	PJLRIJBARMWVEP-KSSFIOAISA-N	410.926	5.842	30	20	HKED	
FC(F)(F)c1cc(NN=C2c3ccccc3-c3ccccc32)nc(-c2ccccn2)n1	733080353	VSQMPGVPRRFGPI-UHFFFAOYSA-N	417.394	5.402	30	20	HKED	
C#CCCOc1ccc(CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1	733324953	NLMVVPBJBYZLFO-IBGZPJMESA-N	416.496	5.331	30	20	HKED	
N#CCOc1ccc(COC(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1	733419792	UXBVBFJCTKIZEC-UHFFFAOYSA-N	407.853	5.032	30	20	HKED	
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1-c1ccc(Cl)cc1	739629767	IVFSLCUZWWJJBJ-QGZVFWFLSA-N	404.897	5.329	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)c1	741933319	FEAIQNFNBRCFJW-RPBOFIJWSA-N	412.533	5.400	30	20	HKED	
CSc1cccc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)c2ccc(F)c(F)c2)c1	742384464	DHLHJXCNLIUXSE-GYCJOSAFSA-N	424.516	5.857	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(C=Nn3c(S)nnc3[C@@H]3CCCCO3)o2)cc1	743452620	SQQGBIOGRJBGQL-IBGZPJMESA-N	410.543	5.248	30	20	HKED	
COc1ccc(CNCc2sc(Sc3ccccc3)nc2Cl)cc1C#N	746734338	QKSLQAVUNOGYDW-UHFFFAOYSA-N	401.944	5.118	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(NC(C)=O)c(C)c1)c1ccc(C(F)(F)F)cc1	750284557	KBRQMMOYNVVHPR-FQEVSTJZSA-N	419.447	5.801	30	20	HKED	
C[C@H](Oc1cccc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)c1)C(=O)O	750916698	OLGWRHGNOKPLJL-DGGAMASNSA-N	404.434	5.066	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1	752207513	TYKXEFCDNVEIJF-NRFANRHFSA-N	409.917	5.133	30	20	HKED	
Cc1c(C(=O)/C=C/c2cnc(-c3ccccn3)s2)cnn1-c1cccc(Cl)c1	753144690	QOJQGMIYDMKACL-CMDGGOBGSA-N	406.898	5.249	30	20	HKED	
C#Cc1cccc(N(C)Cc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)c1	756510284	UETDSRMIDFJQRJ-UHFFFAOYSA-N	403.551	5.371	30	20	HKED	
COc1cccc(C=NO[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1OC	763172515	PEDKABSBLZLPMB-CQSZACIVSA-N	400.862	5.432	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2cccnc2OCC(F)(F)F)cc1	764859394	BQBXFENGFFFTIX-CQSZACIVSA-N	400.828	5.005	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nc2cc(Cl)ccc2s1	766846715	RAZITPRWQGBEQI-IJLUTSLNSA-N	406.816	5.347	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc(Br)cc1F	767735265	ASXFKQBCONIPFY-JXMROGBWSA-N	412.258	5.458	30	20	HKED	
N#C[C@@H]1C(CN2CCCC[C@H]2c2cccc(Cl)c2)=CC(=O)n2c1nc1ccccc12	770002835	ZYPQPNJFAHTIFW-CTNGQTDRSA-N	416.912	5.104	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCc3cc(Cl)cc(Cl)c32)ccc1OC	772979028	KDKLPVCVKYMPDQ-AEFFLSMTSA-N	405.325	5.460	30	20	HKED	
Cc1nc(Br)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	773706200	DBZXRYVHSSAEPA-UHFFFAOYSA-N	422.282	5.263	30	20	HKED	
N#CCCCn1cc(C(=O)O[C@H](c2ccncc2)c2ccc(F)cc2)c2ccccc21	774062049	FXOSKEQECOPWMR-DEOSSOPVSA-N	413.452	5.426	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1ccc2c(c1)CCC(=O)N2C	774138021	HXRLDPQMHBEBBC-FLIBITNWSA-N	406.482	5.063	30	20	HKED	
C#CCOc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	775941069	TZDUSTFHVPWCFO-UHFFFAOYSA-N	415.276	5.232	30	20	HKED	
C[C@H](Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1ccc(OCC#N)cc1	777710281	VZVONPWNRGQUHL-NSHDSACASA-N	419.230	6.010	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2cc3ccccc3o2)C(C)(C)C)ccc1OC	779412007	IZWABPBWIVVLBE-CYFREDJKSA-N	406.526	5.999	30	20	HKED	
Fc1ccc(CON=Cc2ccccc2OCc2cccnc2)c(Br)c1	780282691	OVLUUOPAUGOLSL-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
N#CC1(COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CCOCC1	780545261	FFGOGXHPEHAZFF-UHFFFAOYSA-N	406.869	5.032	30	20	HKED	
CC(C)(C#N)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	781466845	OVUYCGSOZZLJLN-ZYJSHVEQSA-N	411.386	5.202	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC[C@H](C#N)Cc1ccccc1	782609016	VYUSQYRXQLSRHV-INIZCTEOSA-N	414.383	5.208	30	20	HKED	
CCCc1c(NC(=S)Nc2ccc(OC(C)C)cc2)cnn1-c1cccc(C#N)c1	783953339	MXOKOKDPYQIPJX-UHFFFAOYSA-N	419.554	5.293	30	20	HKED	
C=C[C@@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	785759280	JCRRWFDHSRRSKE-QFIPXVFZSA-N	400.544	5.398	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnn(-c2ccccc2)c1Br	789719545	SDVFJVIZNLCBOZ-UHFFFAOYSA-N	424.342	5.739	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](O)c1ccccc1	791753266	ZQCVWBIVBKRHTO-CCDWMCETSA-N	413.521	5.366	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	795335011	SRNXTABJFOHEGA-YOEHRIQHSA-N	400.309	5.329	30	20	HKED	
N#CC1(CCCN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)CCOCC1	799134979	XDQCQICYUGVLQH-XBXARRHUSA-N	418.537	5.078	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1	806401446	QTEABFPRTMYUDL-DJJJIMSYSA-N	419.403	5.149	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)cc1	808743631	KBGPFPWCAAYJTD-UHFFFAOYSA-N	421.884	5.059	30	20	HKED	
C=CCCCN(C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	812582113	REUMSNROQJFIFC-GOSISDBHSA-N	417.550	5.243	30	20	HKED	
C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	904475435	IYPBVUYLHIOEPC-SFHVURJKSA-N	419.488	5.352	30	20	HKED	
COc1ccc2[nH]cc(CC(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)c2c1	915516403	BZAWZFFENKFCOH-UHFFFAOYSA-N	424.500	5.162	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNCc1ccc(C(F)(F)F)cc1	915972629	QWAZITBNKSPLNQ-UHFFFAOYSA-N	424.829	5.175	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	916152296	WQSHVTHTSYXGLN-PQMHYQBVSA-N	416.864	5.391	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C	916845210	QNXUSUCRMCKUNM-WCQYABFASA-N	404.322	5.237	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1	916955369	PUXAAIFDXYBBJA-IFXJQAMLSA-N	421.497	5.424	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)ccc2c1	917026144	WUVMFTUTQJYXFC-UBQCRTFRSA-N	410.498	5.862	30	20	HKED	
C=CCN(Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S)C(C)C	917481292	GCQVTHIZQLMPAF-UHFFFAOYSA-N	402.951	5.230	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)[C@H](C#N)c1nc(C(=O)OCC)cs1	920326873	BZBXLNBKHGNFTL-CPFIRTDXSA-N	422.506	5.298	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CCC1(C)CC1	1510255490	HFVMNWZGYCFAKA-CVEARBPZSA-N	401.942	5.000	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCCC4(F)F)CCC3)cc2)C1	1785807707	NBQYIGHAMGMWDB-JOCHJYFZSA-N	420.475	5.004	30	20	HKED	
CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)cc1	11264658	NSGPQUAPGAEWJM-UHFFFAOYSA-O	415.582	5.637	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2)cc1	14905699	RKWKOIOZGODPHC-UHFFFAOYSA-N	421.378	5.199	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccco1	32330528	GCGAEDASWJVLKV-QGZVFWFLSA-N	416.934	5.133	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	47565622	ZXNYBMXQFGTGQL-JOCHJYFZSA-N	414.896	5.531	30	20	HKED	
CN(CCc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	56720266	MLUZTJAHAQFTAE-UHFFFAOYSA-N	417.484	5.177	30	20	HKED	
Cc1ccc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1	65465121	HLZJBYIWJOUJMA-UHFFFAOYSA-N	413.521	5.313	30	20	HKED	
COc1ccc(N(C)C(=O)c2ccccc2Sc2ccccc2C#N)cc1OC	109124289	DGOGJUGRUIQXON-UHFFFAOYSA-N	404.491	5.003	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccccc1OC(F)(F)F	303340861	YMLRQBQVCWAOJS-CQSZACIVSA-N	408.445	5.408	30	20	HKED	
C=CCN(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	429567445	GBINHLCGRIYHAK-NSHDSACASA-N	408.264	5.155	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1cccc(SCC#N)c1	429797317	VEJXFDAWJKVCLZ-UHFFFAOYSA-N	406.482	5.581	30	20	HKED	
Cc1sc(NC(=O)c2cccc(SCC#N)c2)nc1-c1c(F)cc(F)cc1F	430947810	GBASUTKUOUCHIM-UHFFFAOYSA-N	419.453	5.404	30	20	HKED	
N#C[C@H](CCc1ccccc1)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1	433371429	DLQGUNINWRUKHL-FQEVSTJZSA-N	403.913	5.663	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1	444009582	MQUXAOVZMIZLNP-INIZCTEOSA-N	416.502	5.270	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc4nc(Cc5ccccc5)oc4c3)on2)c1	447503002	XQCFLHOCCVWBAC-UHFFFAOYSA-N	420.428	5.198	30	20	HKED	
CC[C@@H](NCC1(c2cccc(Br)c2)CCOCC1)c1ccc(C#N)cc1	447563504	QGKZFHUWSNSYIU-OAQYLSRUSA-N	413.359	5.110	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1sccc1C#N	460239769	RGWMHNPVSLTBCQ-UHFFFAOYSA-N	418.497	5.917	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	461799317	YGXOVXAXUFYFAH-KRWDZBQOSA-N	405.461	5.158	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	462253663	AFCDJANDQVHFFF-ZJSXRUAMSA-N	413.477	5.392	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2cncc3ccccc23)cc1	462516082	YYZQYODVXJDJGF-UHFFFAOYSA-N	423.472	5.479	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	464954468	RYKLUJVCUYZNGG-HBGVWJBISA-N	400.444	5.182	30	20	HKED	
CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	467039951	FJWWMZYPMZGPRQ-UNMCSNQZSA-N	423.582	5.470	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(SCc4ccccc4)cn3)on2)c1	468770404	AUXVVKHNBAXEEZ-UHFFFAOYSA-N	412.474	5.153	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc(NC(C)=O)c(F)c1)c1ccc(C(F)(F)F)cc1	469688283	AUZHOSLTDHJGHP-GOSISDBHSA-N	408.395	5.240	30	20	HKED	
CCCOc1cc(OC)ccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	474964037	FTYWKROYRIKJRY-OAHLLOKOSA-N	400.887	5.237	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1	475485043	GJGHOEFOVBIPOD-UHFFFAOYSA-N	415.371	5.295	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1	481237040	MCHLASZKLLHKLA-XMMPIXPASA-N	420.532	5.480	30	20	HKED	
COc1ccc(-n2c(S[C@@H](C)c3ccc(C#N)cc3)nnc2-c2ccccn2)cc1	481345133	MQLVFCMLETUQLS-INIZCTEOSA-N	413.506	5.063	30	20	HKED	
Cc1cccc(C(=O)[C@H](C#N)c2nccc3ccccc23)c1NC(=O)c1ccccc1F	483205260	SEGUFANQKKUXGF-OAQYLSRUSA-N	423.447	5.425	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccccc2Cl)c1C(C)C	485594038	OLTOSBIQZYHQCN-UHFFFAOYSA-N	408.889	5.172	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1	486796289	UANZIUGMPCSNIB-AWEZNQCLSA-N	417.456	5.463	30	20	HKED	
CC(C)CC[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494236094	AXISUBZYJXQFCC-JOCHJYFZSA-N	405.542	5.764	30	20	HKED	
COc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc(OC)c1C(C)C	496653459	WGYQMLFDINKAOC-UHFFFAOYSA-N	417.465	5.138	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1)O[C@@H](C)C2	499956510	RBNGMUDCZPCLTL-HYVJGQCMSA-N	418.537	5.073	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)cc1	501446193	BLWHVRSKRTWLNX-UHFFFAOYSA-N	411.288	5.891	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccc(F)cc1F	503015294	NVDFRPBITHFBFW-AWEZNQCLSA-N	412.465	5.106	30	20	HKED	
C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C	504038417	SEEMIOBQTASKGU-INIZCTEOSA-N	419.550	5.053	30	20	HKED	
Cc1ccc(F)c(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	505749672	GMBHREXCBCWUKY-ZDUSSCGKSA-N	420.296	5.810	30	20	HKED	
C[C@H](Cc1ccccc1F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	506326682	QIEOPSLDDINQGX-GOSISDBHSA-N	417.484	5.223	30	20	HKED	
COCCCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1C	510213238	VTMIMFARWUHSCD-UHFFFAOYSA-N	419.550	5.050	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc3ccccc3c2)cc1	510998179	LFFMFPAHEQJYRI-UHFFFAOYSA-N	413.521	5.318	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)o2)cc1	511066150	QSTXQVSLUHCNIL-GOSISDBHSA-N	412.415	5.007	30	20	HKED	
CC(C)(C)c1noc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1	512178691	HOBNERMBHRYKEN-ZDUSSCGKSA-N	414.575	5.023	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)n1	513655699	UBXGUSIGIKEJBU-MRXNPFEDSA-N	417.317	5.827	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCO1	513731708	ZHYIZEXMXMMMJP-SBUREZEXSA-N	410.489	5.056	30	20	HKED	
N#Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)[nH]c2c1	515162258	AGLMEWRJXXFPND-UHFFFAOYSA-N	407.260	5.661	30	20	HKED	
Cc1c([C@@H](C)NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)oc2ccccc12	515660375	XLCUMPOBUNPUPN-MRXNPFEDSA-N	421.472	5.066	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1	517397044	PSXVWQLUWHVMOF-DNVCBOLYSA-N	416.978	5.159	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	517725571	FOJNFGHFJNNENT-UHFFFAOYSA-N	417.484	5.607	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	518320324	GRNFYOZCLGUIOJ-FQEVSTJZSA-N	404.341	5.220	30	20	HKED	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	520324921	UGJBSMZIASKITN-UHFFFAOYSA-N	401.422	5.322	30	20	HKED	
C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	521385106	HMZOAROOBREQDH-AWEZNQCLSA-N	411.914	6.290	30	20	HKED	
CSc1ncc(C(=O)Nc2ccccc2SC[C@H](C)C#N)n1-c1ccccc1	521734721	QXJOFALXCDUPNU-OAHLLOKOSA-N	408.552	5.098	30	20	HKED	
COc1ccc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1F	521734885	RUNNNEJYPVPKBG-AWEZNQCLSA-N	404.532	5.100	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	524378506	WHQCCZHSTPRPCO-OAHLLOKOSA-N	415.971	5.917	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4ccsc4C3)cc2Cl)cc1	536334226	SAGYINKOTAIWLS-UHFFFAOYSA-N	409.898	5.656	30	20	HKED	
COc1ccc([C@@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1	537027021	DSWNTLUCMCQAKK-GOSISDBHSA-N	402.494	5.005	30	20	HKED	
C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Oc2ccccc2)c(F)c1	538168649	VIPAIMJMAVYBNZ-MRXNPFEDSA-N	414.440	5.390	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CN[C@H](C)c1ccc(C#N)c(F)c1	538508130	YATQQPLLOOOWCU-QGZVFWFLSA-N	405.473	5.524	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)cc2)CC1	538539117	CCPMZLOLQBIURL-UHFFFAOYSA-N	405.473	5.152	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1	539763405	NSQLIDZIIHSNNG-LJQANCHMSA-N	423.561	5.219	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541099504	WRJCYSTYSJPJJU-SFHVURJKSA-N	422.488	6.071	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C2CC2)n1	541232079	NNIXWOMBSFYAMB-UHFFFAOYSA-N	418.884	5.019	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2o1	542878262	SMLXSHIOGZBCBK-GFCCVEGCSA-N	412.232	5.588	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)N3CCC(CC#N)CC3)cc2)c1	543825131	AWTUYWZZTFYTDJ-UHFFFAOYSA-N	405.542	5.855	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(-c2cccc(C#N)c2)cc1	543855520	AWRFJSJDQAFNPL-SFHVURJKSA-N	420.472	5.299	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	544613331	CMUPSZOAPSLPOZ-ZDUSSCGKSA-N	410.474	5.180	30	20	HKED	
C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	549948288	SOGFROTXONYRKU-QGZVFWFLSA-N	408.461	5.111	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1	554884016	AVRUBHYWBQUCGL-OAHLLOKOSA-N	403.507	5.263	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C3CC3)C3(C#N)CCC3)cc12	556438268	BNMKWAPIZYNBCB-UHFFFAOYSA-N	410.930	5.100	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@](C)(C#N)C3CCCCC3)ccc21	564646425	IXHQRNRAAJRMHR-HXUWFJFHSA-N	406.452	5.228	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(Cl)ccc1C(F)(F)F	578362777	BNXDQZRIHQNLLN-UHFFFAOYSA-N	412.795	5.037	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](CC(F)(F)F)C1	581561275	OBOVTAFJLDOOSB-MRXNPFEDSA-N	415.463	5.157	30	20	HKED	
CC1(C(=O)Nc2cccc3ncccc23)CCN(c2ccc(Cl)cc2C#N)CC1	581628770	NCLYAPGPYWPFGH-UHFFFAOYSA-N	404.901	5.005	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc4ccccc4n3C3CC3)cc2)cc1	582372949	XGGJXBPVPPCKOD-UHFFFAOYSA-N	423.476	5.357	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c1	589741697	QJYGJBCPWFYKRY-UHFFFAOYSA-N	406.526	5.385	30	20	HKED	
Cc1c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cnn1-c1ccc(Cl)cc1	589953603	MEJOKZBHLLJQIO-UHFFFAOYSA-N	405.672	5.265	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	603650140	QCFVDIWFKTVMJD-CYBMUJFWSA-N	412.465	5.109	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccc(Cl)c2)CCC1	603738859	XHHCAYVQIZMZNU-UHFFFAOYSA-N	417.896	5.768	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(CC(C)C)c2ccccc12	604100574	IOZFODSOCAFYPE-UHFFFAOYSA-N	424.504	5.917	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cccc(C(F)(F)F)c1	609062817	YPUMPSMXGPGKJG-UHFFFAOYSA-N	424.422	5.646	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCc3nc(-c4cccs4)no3)c2)cc1	609176288	DEEKJJLUIUQIQI-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1	609220861	YKCFGKOLLQJWNA-UHFFFAOYSA-N	421.884	5.372	30	20	HKED	
CCCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cc(Cl)ccc1C#N	609286336	VCXUJIXYJRUSBU-UHFFFAOYSA-N	423.925	5.582	30	20	HKED	
COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Cl)c1	609378479	KXUQVIMDJOXURL-UHFFFAOYSA-N	414.836	5.625	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	609385641	DHPKERQKPNZNQY-WIYYLYMNSA-N	423.582	5.255	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COC(C)(C)C)c1	609435850	ACWAWMLEOBVUPQ-KRWDZBQOSA-N	411.571	5.718	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl	609439103	YYHLBKMXMWKPOS-FUHWJXTLSA-N	413.974	5.973	30	20	HKED	
CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609504825	LHQATNNAQXDSHK-UHFFFAOYSA-N	408.395	5.540	30	20	HKED	
COc1cc(CSc2ccc(C#N)cc2F)ccc1OCc1cccc(C#N)c1	610218794	UOSWZNLJGCHKFB-UHFFFAOYSA-N	404.466	5.449	30	20	HKED	
CCc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cnn1CC(C)C	611139328	IZERFBREIDEMNL-UHFFFAOYSA-N	402.498	5.212	30	20	HKED	
CC(=O)N(c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1)c1cccc(C)c1C	611389529	YQHCWVHGBFLGLD-KRWDZBQOSA-N	404.539	5.167	30	20	HKED	
C[C@H](NC(=O)CCCn1cnc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1	611902610	VTCQWPMAFNILCL-IBGZPJMESA-N	408.505	5.233	30	20	HKED	
C=CCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	613405344	ZHUGFYZBHVKJBK-OAHLLOKOSA-N	402.397	5.370	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc2ncsc2c1	614423634	AALIHMWXKFPXER-AWEZNQCLSA-N	415.478	5.238	30	20	HKED	
O=C(c1[nH]c2ccc(F)cc2c1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618366220	ZIKSSGSKHFMPKR-OCAPTIKFSA-N	416.724	5.163	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c(Cl)cccc3s2)cc1	619210345	OOVKNVBIAYCRGX-UHFFFAOYSA-N	410.926	5.621	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1	726732237	CPORDPCUBDBTDU-KRWDZBQOSA-N	422.481	5.223	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(-n4cncn4)c(F)c2)CC3)cc1	727654637	PLAZBXWHGYXMTL-LICLKQGHSA-N	416.481	5.051	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)NCCCN(C)c2ccccc2)c1	728227079	BQRQJVXLJQHZAM-UHFFFAOYSA-N	413.590	5.076	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)cc1OC	728498849	LSFLCIXMTGORDA-JNSUZQQQSA-N	405.416	5.035	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1	728700168	YJKZFCZTDBYTRF-RFRKOGIWSA-N	404.466	5.453	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OCc2cccs2)cc1	730476157	ZVSSUFSMUUDLMC-XMMPIXPASA-N	424.525	6.235	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)ccc2c1	731644812	CLJPYJQHEMVXIU-ISPXXFMDSA-N	410.395	5.261	30	20	HKED	
CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H](c1cccnc1)c1csc2ccccc12	732569923	AFIKGMZCLNYQFO-SLIGWNDSSA-N	423.541	5.819	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)c2)cc1	733034182	RWZGKDQFNUCKCS-QHCPKHFHSA-N	419.431	5.998	30	20	HKED	
C=CC[C@H](NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccncc1	734657069	WKDSITQTPSGWKK-KRWDZBQOSA-N	404.495	5.068	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1nc(-c2c(F)cccc2F)cs1	734966216	VMDDGSBNTKTZCW-QJPTWQEYSA-N	416.399	5.346	30	20	HKED	
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	735320022	IUAYEBUJJGPCPH-HZPDHXFCSA-N	402.947	5.050	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(OC3CCCCC3)cc2)ccc1OC	735441822	XTRAGOMMLWIJTB-FQEVSTJZSA-N	422.525	5.018	30	20	HKED	
N#C[C@H](C(=O)CC/C=C\c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	739157778	WXVMESTYYSCAFB-LWAXHKBTSA-N	400.425	5.985	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cccc(Oc4ccncc4)c3)c2)s1	739594623	MMTPHSXVLWRTID-UHFFFAOYSA-N	411.486	5.404	30	20	HKED	
Cc1ccc(C(=O)OCc2ccc(C#N)cc2F)cc1NC(=O)Nc1ccccc1	741352280	PGOZXIHEFDEYBW-UHFFFAOYSA-N	403.413	5.007	30	20	HKED	
COc1ccc(/C=C\C(=O)c2c(Cl)nc3sccn23)cc1OCc1ccccc1	741849778	ZELBKSNTPWMQJZ-CLFYSBASSA-N	424.909	5.533	30	20	HKED	
Cc1cc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)c2ccccc2n1	742359672	RKOZYXYHBLOGAB-UHFFFAOYSA-N	420.516	5.594	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1	742388264	NFFJSTDXIGCFLO-SFHVURJKSA-N	408.546	5.234	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2C)ccc1OC	746727418	BSKABIRDGGRUJU-MRXNPFEDSA-N	421.419	5.025	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccccc2Cl)cc1	747109595	XZBSFXOLRUYIQN-KRWDZBQOSA-N	420.852	5.102	30	20	HKED	
N#CC1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc23)CC1	747199166	LQWBKKQMYYOYJZ-UHFFFAOYSA-N	420.310	5.040	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOC2=O)cc1	748583578	GXFXOYDBHXAFNS-YFHOEESVSA-N	410.882	5.316	30	20	HKED	
CC(=NNc1ncnc2c1cnn2-c1ccccc1)[C@H](C)c1nc2ccccc2s1	748784924	DXEODVCEKZXCNC-AWEZNQCLSA-N	413.510	5.017	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1	749024440	BDQWUDXBKVAFLE-CQSZACIVSA-N	419.731	5.521	30	20	HKED	
N#Cc1c(NC(=O)c2csc(-c3ccccn3)n2)sc2c1-c1ccccc1CC2	749124923	RNBSMYIKEWONJD-UHFFFAOYSA-N	414.515	5.156	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)ON=C(C)c1cc2ccccc2o1	749256733	YYXJSAUSTYQZQE-AWEZNQCLSA-N	400.862	5.171	30	20	HKED	
C=CCN(C(=O)c1cccc(Cl)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	749475549	GPIJJBPIAGFGOH-UHFFFAOYSA-N	424.740	5.998	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)s1	750684553	RQNFUBRWECJVMP-BXKDBHETSA-N	414.886	5.167	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCc3ccccc3)nc2)cc1	751085153	SUZMSXHPDGHBNC-RUZDIDTESA-N	419.484	5.568	30	20	HKED	
CC(C)(C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2ccccc2)cc1	751923876	UWTRMRANWARHBW-UHFFFAOYSA-N	423.472	5.296	30	20	HKED	
CC(C)(Cc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	753803651	WZDXDMLVILVVNY-OAHLLOKOSA-N	401.844	5.530	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	760802073	ZVFDHVZZFXSEOP-UHFFFAOYSA-N	413.408	5.302	30	20	HKED	
N#C[C@H]1C(CN(c2ccsc2)C2CCCCC2)=CC(=O)n2c1nc1ccccc12	773973256	OJXDUQUXUWIBQV-IBGZPJMESA-N	402.523	5.124	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)c1ccccc1	774259236	FYCZEMVMSJHWPR-OALUTQOASA-N	416.443	5.116	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1	775372934	XSIROOCEMVLYKA-RBZFPXEDSA-N	403.295	5.120	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1	780161205	SQHJCQPIOPGDLC-CQSZACIVSA-N	407.495	5.060	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	780997103	HJGBAFKQVMXDGW-ZDUSSCGKSA-N	416.355	5.388	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccccc3)cc2OC)ccc1OC	781414378	JGMNDYMUUXRIHF-HSZRJFAPSA-N	416.521	5.342	30	20	HKED	
C[C@H](Cc1ccccc1)NC(=S)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	786075337	VUUDGTXBHNDCCI-LJQANCHMSA-N	417.553	5.205	30	20	HKED	
COc1cccc(/C=N/C[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1O	790573060	BZEFAINIRSHTKX-BIXBROTJSA-N	414.855	5.099	30	20	HKED	
O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc2nccnc2cc1F	791629163	USYQZKJXMYLPJD-HNNXBMFYSA-N	418.268	5.248	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1cnc2ccccc2n1	792101726	CBSRSQNYXIZFQY-YADARESESA-N	413.477	5.479	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1SCc1ccccc1	806171673	RJXWCCPDZSAWNS-UHFFFAOYSA-N	422.550	5.674	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)s1	810657648	OECJDTLPLXSSRS-UHFFFAOYSA-N	412.511	5.032	30	20	HKED	
Cc1ccc2sc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2c1	811347779	CMZFGQRMDAHXQM-OAHLLOKOSA-N	424.547	5.400	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc(NC(=O)c3cccs3)c2)c1	864001438	CNYDTRRJCSXGJH-UHFFFAOYSA-N	412.312	5.247	30	20	HKED	
Cc1cc(C)n(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)c(=O)c1C#N	914867105	SYWNVNUNYASZNY-UHFFFAOYSA-N	402.306	5.254	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1	916152011	IXTYROJFLNVWHZ-TYULJFPZSA-N	418.380	5.325	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)ccc1OCc1ccccc1	916152078	OWBCNSDZSGGTST-ZSOIEALJSA-N	413.473	5.463	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3COc4ccc(Cl)cc4C3)n2)cc1	916972578	OLDACHDNNMAZCB-FUHWJXTLSA-N	408.910	5.200	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4cccs4)oc3C)n2)cc1	916974207	GQYTYIQJCNAGLJ-OAHLLOKOSA-N	405.504	5.634	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997867	ZDPSKUUYKSHQCT-CXAGYDPISA-N	415.345	6.487	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1	917027131	XDURMGFVWWERMZ-OFAQMXQXSA-N	414.408	5.598	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3cccc(Cl)c3)n2)cc1	920139828	ZAJJIVLKEPIBRH-FZKQIMNGSA-N	412.898	5.116	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cc2)CCC1	1789193240	OPHMPTSMWSFHNK-WWPVKYPJSA-N	406.570	5.140	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1829066614	MGXFXZWJEFCNPI-PKTZIBPZSA-N	414.634	5.345	30	20	HKED	
C=CCN(C(=O)c1sc(-c2ccccn2)nc1C)c1nc(-c2ccccc2)cs1	19203898	FXNNIAPUHMFIHZ-UHFFFAOYSA-N	418.547	5.470	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccccc2)cc1	22729531	HANPLSCGXDNHDG-UHFFFAOYSA-O	405.543	5.041	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cs1	54734048	KTSNFCYXHYTCJX-INIZCTEOSA-N	405.504	5.375	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1	55569297	XCJFSDFJPDKZAZ-UHFFFAOYSA-N	411.914	5.327	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)c2C#N)C1	60915427	BLMNDUWZNHVYAU-ZDUSSCGKSA-N	421.547	5.311	30	20	HKED	
CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	61771888	QVSACZAWHWYMND-QFIPXVFZSA-N	405.542	5.764	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1Cl	62399322	AWLUNXONNIXBAI-WRLMICBWSA-N	419.956	6.038	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccc(F)c2)CCCC1	107805679	OZXUBLPPEHLBLF-UHFFFAOYSA-N	415.468	5.644	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccc3)nc2)CC/C1=C/c1cnc(-c2ccccc2)nc1	208338356	NHSGOBLUULBKSE-GACBQCINSA-N	416.484	5.431	30	20	HKED	
N#CCc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2cccc3ccccc23)cc1	261470317	UHVUSGIVNSNDGH-MHZLTWQESA-N	405.501	5.224	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1C(F)(F)F	303818257	DJALEKUOTYAWAA-CABCVRRESA-N	406.473	6.089	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cnn([C@@H](C)C2CC2)c1	429461984	OHVHYDQCIVYFME-KRWDZBQOSA-N	415.497	5.257	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1	430643199	QNRLGMGSWHXRPT-HXUWFJFHSA-N	415.518	5.381	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccccc1	433035825	ZUYKBFPWXBHRPF-KRWDZBQOSA-N	409.839	5.322	30	20	HKED	
C/C(=C/c1ccc(-c2ccc(Br)cc2)s1)c1nc(C)c(C#N)c(=O)[nH]1	435339693	XIMBHBKFQHDNOU-LUAWRHEFSA-N	412.312	5.002	30	20	HKED	
CCC(CC)c1cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)on1	438028624	FWGGIYDJGGCEMU-UHFFFAOYSA-N	404.470	5.564	30	20	HKED	
COc1ccc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1OCCCC#N	438278951	UVWBBKXWAMOBEI-HXUWFJFHSA-N	424.932	5.245	30	20	HKED	
N#Cc1ccc(NC(=O)NC(c2cccs2)c2cccs2)cc1C(F)(F)F	438635161	SOBADQUXCGQSCW-UHFFFAOYSA-N	407.442	5.611	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc4ccccc34)c2)cc1	439386016	LFOYKYHADLBURD-UHFFFAOYSA-N	407.429	5.081	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N(CCC#N)c1ccccc1	439572471	NEVKZMIVEOAXLT-IBGZPJMESA-N	410.477	5.098	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1nc2ccccc2o1	442685024	YCFGXLTWHPLESA-ZDUSSCGKSA-N	424.243	5.812	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)cc1	460880038	YWQUGQCFRJPKLL-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1ccsc1	460960254	REIOOSLAVSJRGV-FQEVSTJZSA-N	401.539	5.472	30	20	HKED	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCSCC#N)nnc1-c1ccco1	466623879	YCCBBSYTHLKWCB-QAETUUGQSA-N	402.589	5.274	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cccc(C(F)F)c2)cc1	468272051	RXSXGLGLCLKURY-UHFFFAOYSA-N	406.432	5.450	30	20	HKED	
C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cn(CCCC#N)c2ccccc12	469806112	CITWVTXTKQJISH-GAJHUEQPSA-N	421.928	5.201	30	20	HKED	
CCCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469954615	WMNQKMZWSYACMT-UHFFFAOYSA-N	419.525	5.091	30	20	HKED	
CC(C)Nc1ccc(Br)cc1NC(=O)CSCc1ccc(C#N)cc1	470093725	QCMHRRNWSWNUQN-UHFFFAOYSA-N	418.360	5.013	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc21	470777063	QFVMUHYBZZQTMK-UHFFFAOYSA-N	423.516	5.113	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1cccc(C(F)(F)F)c1	471820123	GBXPYZUIXFFEML-HNNXBMFYSA-N	406.473	6.061	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[C@@H](C)N(C)Cc1ccccc1	472755756	STRDVJQELYHQLG-MOPGFXCFSA-N	410.587	5.113	30	20	HKED	
Cc1nc2cc(C(=O)Nc3sc4c(c3C#N)CCC4)ccc2n1Cc1ccsc1	472803980	CQPUEDIUUNAEJI-UHFFFAOYSA-N	418.547	5.129	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2CC)cc1	474412783	LESQDIINALIPHI-UHFFFAOYSA-N	424.888	5.117	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C[C@@H](CC#N)c1ccccc1	476335512	STBCSHOELYACQV-GHTZIAJQSA-N	403.551	5.726	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OCCOC)c(Cl)c1	480322014	AUAWHKAVSWBFSL-UHFFFAOYSA-N	415.342	5.300	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(C#N)c(Cl)c1	483076142	QSKPGSHCAYKRGI-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
CN(c1ccccc1)C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1	486725371	SCSCATMVGXORSB-UHFFFAOYSA-N	411.505	5.092	30	20	HKED	
CC(C)c1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1	487047156	UMCSYRFANOCDTH-GGAORHGYSA-N	413.525	5.299	30	20	HKED	
Cc1c(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)sc2ccc(C#N)cc12	489608153	WKXTYJMKWNELEY-SFHVURJKSA-N	414.534	5.044	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1C[C@H]1c1cccc(F)c1F	493536780	MLLVZEXMTRGBEG-MQIPJXDCSA-N	421.312	5.090	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Oc3ccccc3)nn2)n1	498019561	SAVHDPSDRVQJJJ-UHFFFAOYSA-N	402.401	5.155	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1csc(C(C)(C)C)n1	499897332	TWQOIBKPDNOBTB-CQSZACIVSA-N	402.589	5.199	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCC(F)(F)C1	500166743	WYCGEANWXIHTPJ-CYBMUJFWSA-N	418.328	5.444	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c12	504340735	HXKYWQOHHCTESI-NRFANRHFSA-N	413.908	5.966	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1	505818631	CCACYCNIFZETFD-QGZVFWFLSA-N	402.306	5.040	30	20	HKED	
Cc1ccc([C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)c2ccccn2)cc1	506911218	KOZRYTZYHKPCIE-VWLOTQADSA-N	408.505	5.168	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1	509538299	NRHAWDBSTZOZBC-ZDUSSCGKSA-N	417.273	5.336	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CCCN(C2CCC2)C1	511302912	BEKKAIGGEMJJJD-WIYYLYMNSA-N	419.594	5.092	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	515691727	WSJLSTCWPHBNKI-IFXJQAMLSA-N	401.491	5.134	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	515716205	FRKKZECDXCECDD-AEFFLSMTSA-N	416.456	5.295	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	517977305	WJWGEYYQIHWPEH-SJORKVTESA-N	403.457	5.611	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	518241122	XEFQDLRSLBLDQR-GOSISDBHSA-N	423.582	5.595	30	20	HKED	
C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	521114689	GALWYHGCSSJMEU-MZKRTTBSSA-N	417.553	5.022	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccccc1	521261874	APDLEYKEOUMDTO-HNNXBMFYSA-N	420.444	5.073	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(Cl)cc1	521604631	PJJVPXATVUTRGS-HNNXBMFYSA-N	409.923	5.673	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	524492841	NLKMCYFTICTLRW-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
Cc1ccccc1[C@H](CO)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	530837876	DUTWUCCJCDHXLO-GMAHTHKFSA-N	419.912	5.159	30	20	HKED	
C[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@H]1c1ccccc1	532972031	LAMGKZBNEDYTGX-SFHLNBCPSA-N	407.583	5.145	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccn2)s1)c1nc(-c2c(F)cccc2F)cs1	536172717	BOIRHXGMGFOSAE-LLVKDONJSA-N	424.457	5.097	30	20	HKED	
COc1ccc2nc(C)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2c1	536714162	FFDOYUWFCVJWOK-FQEVSTJZSA-N	413.502	5.474	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Br)cc3Br)cc2)CC1	539595866	KRDBDHKINNJHLC-UHFFFAOYSA-N	420.104	5.019	30	20	HKED	
C[C@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1	541175997	NQUHYRWVACGKHZ-IBGZPJMESA-N	403.570	5.303	30	20	HKED	
CC(C)Cn1cc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1	542763331	VEPPTFJQTKGAIX-UHFFFAOYSA-N	419.476	5.089	30	20	HKED	
Cc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1C(F)(F)F	554075194	SXELFPMTLIPTLQ-UHFFFAOYSA-N	421.394	5.100	30	20	HKED	
N#CCCC[C@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1	556201754	WFXAWMOCYVRFIL-RBBKRZOGSA-N	422.370	6.333	30	20	HKED	
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(I)cc1	556203392	MIHWUYWPOKGMFD-DNVCBOLYSA-N	404.295	5.377	30	20	HKED	
Cc1cc(Br)c(C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1Cl	561330983	VBZPXUVNSFNBKG-LJQANCHMSA-N	405.723	5.056	30	20	HKED	
N#CCCC[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccccc1	571423901	NPMXMJYURUHDQE-LJQANCHMSA-N	415.331	5.135	30	20	HKED	
CCc1ccc(-c2noc([C@@H](C)NCc3ccc(C#N)cc3C(F)(F)F)n2)cc1	574948632	KSZGZHGQEMTYLF-CYBMUJFWSA-N	400.404	5.040	30	20	HKED	
Cc1cccc(Br)c1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	577568479	WESMSQNLFRJLGK-UHFFFAOYSA-N	405.295	5.226	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccs1	580885698	TZSSGZTZYPTIBP-ZVDOUQERSA-N	406.555	5.112	30	20	HKED	
CC(C)(C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc(F)cc(C#N)c1	586819861	LYFNAWKZISAEQL-RHDGDCLCSA-N	404.407	5.056	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1C(F)(F)F	589470208	YGIWPTZKBDIXHJ-CQSZACIVSA-N	411.383	5.507	30	20	HKED	
N#Cc1cccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c1	603520299	GAJZYJJXAQHORZ-RGEXLXHISA-N	405.457	5.116	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)COc1ccccc1Cl	603532311	AZYMCYAVUJIBRI-UHFFFAOYSA-N	408.860	5.271	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(O)nc2ccc(F)cc12	606157143	NZDMRUZSKABKPB-UHFFFAOYSA-N	418.268	5.369	30	20	HKED	
Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F	608334382	RVKIIWIKMDZQQG-NXEZZACHSA-N	422.291	5.608	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1	608916236	RHWTWDSMHAATDZ-LJQANCHMSA-N	418.541	5.015	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C	608918723	NVGQRQORVHKWTA-NRFANRHFSA-N	418.585	5.053	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c(C#N)c1	609110515	LNZBDDNHMLYNFY-UHFFFAOYSA-N	415.424	5.287	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1nc(-c2ccccc2)cs1	609387363	ZCDLUCBVEBPKFV-CVEARBPZSA-N	422.579	5.501	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(c1ccccc1)c1ccccc1	609435467	PSXNKYVFBCWOTE-IBGZPJMESA-N	415.562	6.166	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(F)c1	609693792	DCRCIFBHTIYCDG-CYBMUJFWSA-N	410.436	5.983	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)cc2)c1	609929801	NCHUSBDBGOOJFJ-HXUWFJFHSA-N	415.468	5.586	30	20	HKED	
CCc1cccc(C)c1Nc1nnc(Sc2c(C#N)nnc3ccccc23)s1	610128987	NLLFSASFTBZSPB-UHFFFAOYSA-N	404.524	5.119	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3cccc(C#N)c3)c([N+](=O)[O-])c2)cc1	610340376	OWDOAXXJAORFAB-MRXNPFEDSA-N	400.438	5.200	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	611557476	KPPYQVNUSCKWBD-HIFRSBDPSA-N	421.394	5.684	30	20	HKED	
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(C)(C)C#N)cc1	614173934	BXCWWDKSPUJUEB-UHFFFAOYSA-N	417.475	5.356	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccncc1	614179231	JYOQREWLZGPIAI-LJQANCHMSA-N	415.537	5.321	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C#N)c1ccc(Cl)cc1	619864001	LIOWHSYOZTWEAE-SFHVURJKSA-N	414.893	5.193	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1	642501461	RNIRALHCIBHNRP-QZTJIDSGSA-N	411.571	5.086	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674563479	WTOFQRBVHJHNIG-IUCAKERBSA-N	412.227	5.049	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(C(F)(F)F)c2C)c1C(F)F	676190046	IYYKTTGPGNPHSD-UHFFFAOYSA-N	415.284	5.439	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c3ccccc3n2)o1	682995594	YWZOTYLPCFHWDF-SFHVURJKSA-N	404.429	5.237	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OCc3ccc(F)cc3)cc2)ccc1OCC#N	727685538	QXTUDLUSAYUFSK-QCDXTXTGSA-N	417.436	5.212	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NCc3ccc(N(C)CCC#N)cc3)cc2)c1	729685828	RGAVPPYKIVSBLJ-JOCHJYFZSA-N	413.565	5.775	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OCc2cccs2)cc1	730476156	ZVSSUFSMUUDLMC-DEOSSOPVSA-N	424.525	6.235	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)COc1ccc(C2SCCCS2)cc1	730936367	FLYWFQFOVQDVID-UHFFFAOYSA-N	415.584	5.001	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1Cl	730954260	PHGJURLVVJXJCN-UHFFFAOYSA-N	406.898	5.017	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCc2ccccc2C1)c1nc(-c2c(F)cccc2F)cs1	732598263	LKDXXHIAJMVMNG-WMLDXEAASA-N	408.473	5.460	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c1	733846927	ALKPTHZGCZJWQR-MRXNPFEDSA-N	418.324	5.163	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(Cl)cc1Cl	740535913	PYQHZVFTOPGQKT-CQSZACIVSA-N	420.683	5.018	30	20	HKED	
Cc1nn(C)c2nc(Cl)c(C=NNc3nc4cc(C(F)(F)F)ccc4s3)cc12	743445205	JFEFVGQKJVRTCT-UHFFFAOYSA-N	424.839	5.005	30	20	HKED	
Cc1cc(C)cc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	745723929	FUZQBPIHRWQSNI-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
COc1cc(/C=C2/CCOc3ccc(Br)cc3C2=O)ccc1SC	746342286	QNFAOZIGISTEFG-LCYFTJDESA-N	405.313	5.228	30	20	HKED	
CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN2CCC(C#N)CC2)c1=S	747079061	RVNZWWONPUJYET-UHFFFAOYSA-N	422.602	5.336	30	20	HKED	
C[C@@H](O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	749353637	PKBBPFUGYKVXIY-OAHLLOKOSA-N	421.884	5.379	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2CCC(F)(F)F)cc1C#N	752283212	SQKIUBBZEQCAFS-UHFFFAOYSA-N	420.391	5.266	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cccc(F)c3)CC2)cc1	752635298	FAAIJHTUWLFSCL-VWLOTQADSA-N	413.496	5.893	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cncc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759217615	TUZDLMBONCDDDI-AWXVTKJVSA-N	418.280	5.541	30	20	HKED	
C/C(=C\c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	759269764	VSJUSKXPIRAVTC-NRJHKNTJSA-N	403.894	5.615	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(SC)c(Cl)cc1Cl	760470827	FSHRRRAUEKTGFI-UHFFFAOYSA-N	416.333	5.464	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	760791473	DASBMZXPAKPNQE-UHFFFAOYSA-N	423.425	5.040	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(C(=O)N(CC)CC)cc2)cc1	764800162	KMBZIOZENHPFEJ-GOSISDBHSA-N	400.950	5.151	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(Br)c1O	765387469	BZRSWPYFYJLTAD-UHFFFAOYSA-N	403.320	5.328	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1ccc2ccccc2n1	766238501	UIZDFAXQYDOVJY-CZUORRHYSA-N	411.274	5.191	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1	767883049	MUXIWZQRBWYLPD-MSOLQXFVSA-N	419.550	5.679	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	770471292	ROTMYXBKZCNAGY-NHYWBVRUSA-N	417.303	5.568	30	20	HKED	
CCn1c2ccccc2c2cc(NC(=O)CNc3ccccc3O[C@H](C)C#N)ccc21	779741882	NHFIDWKGBZLXKE-QGZVFWFLSA-N	412.493	5.156	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC(C)C)cc2Cl)c1	782102599	GDVHYDAXMKVWBF-MRXNPFEDSA-N	401.894	5.130	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC1CCCC1	784821237	NSQFNAFJRZCHQG-LJQANCHMSA-N	416.477	5.012	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1	789719426	PUGSKYDTTSCMEN-NRFANRHFSA-N	404.554	5.455	30	20	HKED	
O=C(/C=C\c1cc(Br)c(Cl)s1)c1cccc(N2CCOC2=O)c1	790218893	XOESPHUCDKDURV-PLNGDYQASA-N	412.692	5.017	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790475860	VALFYRPBOTYBML-UHFFFAOYSA-N	400.544	5.243	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(F)c2ccccc12	796366626	NMJBXYNUDWWPRK-HNNXBMFYSA-N	422.481	5.169	30	20	HKED	
Cc1c(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)sc2ccc(C#N)cc12	796894347	ZTPSSKGKCJKWCE-UHFFFAOYSA-N	402.431	5.146	30	20	HKED	
N#Cc1ccc(Oc2ccccc2OS(=O)(=O)c2ccc(C(F)F)cc2)c(F)c1	805048738	REJLEVGGQOBJBM-UHFFFAOYSA-N	419.380	5.195	30	20	HKED	
CSc1cccc(F)c1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	806200222	ANJWMGBESLZGGT-LJQANCHMSA-N	405.498	5.525	30	20	HKED	
CC(C)COc1ccc(C2(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)CCC2)cc1	813214775	DGGPFYOWZRMSJL-LJQANCHMSA-N	416.443	5.433	30	20	HKED	
Cc1c(-c2nc([C@@H](NC(=O)OC(C)(C)C)C(C)C)no2)sc2ccc(C#N)cc12	813889366	AHCSCRMESZVUDJ-INIZCTEOSA-N	412.515	5.353	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)/C=C/c1cnc2ccccc2n1	914520749	OZTANRXMKKBBCD-ACCUITESSA-N	422.463	5.196	30	20	HKED	
C/C=C\c1ccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OC)c1	915179463	FSKNZEACNSGRMM-DFTTYVQVSA-N	412.489	5.401	30	20	HKED	
CC(=O)N(c1nc(C=NNc2c(C)cc(C)cc2C)cs1)c1ccc(F)cc1F	916339089	AUBRUVQUDIBDMT-UHFFFAOYSA-N	414.481	5.477	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc(F)ccc2s1	916886153	FVIDBZHCJKLCLO-CQSZACIVSA-N	420.437	5.316	30	20	HKED	
CC(C)c1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	916916987	CZUURKAEXXQHPE-OAQYLSRUSA-N	402.519	5.403	30	20	HKED	
CC(C)(C)c1ccc([C@@H]2CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	917143555	KHKLICVXBWCPQC-GGAORHGYSA-N	424.548	5.358	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCc3c(Cl)cccc32)cc1	919904347	IHJFCOHYLYVCOT-FYYLOGMGSA-N	401.897	5.804	30	20	HKED	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccccc1OCC#N	919976815	DINDZAUDMGSMDL-UHFFFAOYSA-N	420.490	5.055	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1	920103893	GTEVYTVHWJILOL-MRXNPFEDSA-N	413.304	5.698	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)c1ccc(Cl)cc1	1792818452	PYMXWVAQXIYUJA-DVWBAYGPSA-N	416.993	5.074	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3(C)CCCCC3)CC2)C1	1804866079	OKHXMNBSMIJYHS-UHFFFAOYSA-N	402.623	5.180	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)nnc1C1CC1	21240478	GGGPPOROJDNZNZ-UHFFFAOYSA-N	420.538	5.173	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccc(C)c1	22010703	UALWUPATOJALEV-UHFFFAOYSA-N	420.582	5.602	30	20	HKED	
COc1ccccc1-c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1	30875284	WWSXZCIXPCLVSR-UHFFFAOYSA-N	421.469	5.705	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1	46712290	HISAOKSMNOVLSG-CQSZACIVSA-N	417.962	5.209	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1C(C)(C)C	51677909	ONGWUKRDFGRBPD-LBPRGKRZSA-N	406.433	5.065	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	55823731	KPNVEJPEJNJSRM-UHFFFAOYSA-N	418.518	5.303	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1	57657800	DAOYZFIQQVNGAP-UHFFFAOYSA-N	418.971	5.194	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccc(OC)cc2)o1	63900409	DQXJXSVIJZNVRC-UHFFFAOYSA-N	416.930	5.213	30	20	HKED	
CC(C)N(CC(=O)N(C)C(c1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1	109404938	JSONTBNJKYSIJZ-UHFFFAOYSA-N	411.549	5.017	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	303372635	SZTZRCASBTWPCH-CYBMUJFWSA-N	424.507	5.365	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nccs1	303858584	WCRDDLSSCQKJJJ-KRWDZBQOSA-N	408.483	5.088	30	20	HKED	
COc1ccc([C@H](NC(=O)CSc2ccc(C#N)cc2)c2ccccc2Cl)cc1	409664621	LYKCQMFZUZNQBK-QHCPKHFHSA-N	422.937	5.218	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc([C@H]4CCCOC4)nc3C)n2)cc1	429681381	KNRJSIIUEGGWBY-IRXDYDNUSA-N	423.563	5.268	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)s1	430614007	XGMHIYZEGRXYKR-LBPRGKRZSA-N	419.337	5.423	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)sc2ccc(C#N)cc12	431325173	ZYQGGQGDNUBEPC-UHFFFAOYSA-N	413.424	5.158	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1ccc(C(F)(F)F)cn1	435468619	DOCFUDBHQNTXKG-MRXNPFEDSA-N	415.802	5.669	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	437371259	JHEREAAZJMXNRZ-SNVBAGLBSA-N	413.733	5.594	30	20	HKED	
C[C@@H]1CCCN(CCCCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	438654020	YTPSQGCCTZHMLS-GOSISDBHSA-N	424.520	5.123	30	20	HKED	
C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N(CCC#N)c1ccccc1	439601410	AJAJQJYKGPNVGB-IBGZPJMESA-N	410.477	5.098	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)o2)cc1	439947669	FBFGVIBESHERGW-IBGZPJMESA-N	412.415	5.354	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1nc(COC)sc1-c1ccccc1)c1ccccc1	441006092	DXLIDQINKGFTOR-HXUWFJFHSA-N	421.566	5.463	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC4CCOCC4)cc3)n2)cc1	442670658	DOOMHTIVVNPWAA-NRFANRHFSA-N	418.518	5.166	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc2ccccc2n1C(F)F	442685607	ZODSXYCUKCBVSN-LBPRGKRZSA-N	412.783	5.230	30	20	HKED	
COc1cc(NC(=O)CCS[C@@H](C)c2cccc(C#N)c2)c(OC)cc1Cl	443150740	CSSGIBKEEOYQBM-ZDUSSCGKSA-N	404.919	5.052	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1	460769485	JLHFIENZOSFCCI-KRWDZBQOSA-N	412.484	5.047	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2Cc2cccs2)c1	461297327	RRWDWIKRLVPAHW-HXUWFJFHSA-N	417.563	5.330	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2)cc1	462923048	JYVAYXCWALQHPD-RDGATRHJSA-N	412.489	5.195	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OC3CCC3)cc2)cc1	463295714	OKLBMFBVCXZBMU-UHFFFAOYSA-N	412.489	5.515	30	20	HKED	
C[C@H](C(=O)N(C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	464339951	UAAWWPRTRVEBSN-SJCJKPOMSA-N	414.349	5.443	30	20	HKED	
CC[C@H](NC(=O)Nc1cc(C#N)ccc1OC(C)C)c1nc(C(F)(F)F)cs1	466663407	FGLBUDWQHJFRTO-LBPRGKRZSA-N	412.437	5.094	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1	471168640	JUZSKAFZUKAKNE-UHFFFAOYSA-N	422.360	5.242	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3cccc(Cl)c3SCC(F)F)o2)cc1	471678971	XDRNBHVRKVJUSB-UHFFFAOYSA-N	406.845	5.231	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccccc1	475459935	FNFQFJSHJKZYOZ-FQEVSTJZSA-N	404.514	5.121	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1	476166724	WQKOJXPKFVRRQJ-JOCHJYFZSA-N	418.581	5.646	30	20	HKED	
N#Cc1cc(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)ccn1	476514294	UETPUPABALPUMD-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	479755142	DPRRHTGKUNAOGG-CQSZACIVSA-N	421.324	5.203	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(Cl)c(OC)cc1OC	479979824	LBOMBOKLEIWHRG-UHFFFAOYSA-N	401.315	5.292	30	20	HKED	
CCOCCOc1ccc(Cl)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	481602009	ZRBAKZNFCZGPFQ-UHFFFAOYSA-N	415.921	5.069	30	20	HKED	
Cc1c(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)sc2ccc(C#N)cc12	484515335	DZZUPSCWFROSSL-GOSISDBHSA-N	406.482	5.098	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1	484566821	HSXLOEGJMWLSLI-XMMPIXPASA-N	412.512	5.508	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1ccc(OCc2cccnc2)c(OCC)c1	484944963	IKDNGQWDHAKGCU-UHFFFAOYSA-N	408.542	5.268	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Nc1cc(F)c(OC(F)F)cc1F	491413516	MIYMMWWAEKRTOZ-AWEZNQCLSA-N	424.316	5.690	30	20	HKED	
C=CCN(C(=O)C1CCSCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	495830502	SULPQOXTCNCTSF-UHFFFAOYSA-N	413.395	5.779	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCCOc3ccccc3)c2)cc1	501454086	UDGMPIXHNSRYKJ-UHFFFAOYSA-N	400.478	5.129	30	20	HKED	
COc1ccc2[nH]cc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2c1	502746199	CCVPKYYDKSSUER-UHFFFAOYSA-N	411.461	5.330	30	20	HKED	
Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)[C@H](C#N)c1ccccn1	505300647	XHQUDRXNGCNHLK-MRXNPFEDSA-N	406.283	5.068	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1F	508113999	KXFJSJRNYNRPDU-QGZVFWFLSA-N	420.459	5.742	30	20	HKED	
CC(C)(CCC#N)CN(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1	509392309	IJAKAGCRXVYNRY-UHFFFAOYSA-N	401.913	5.250	30	20	HKED	
CCOc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)cc1	510172104	HBULIGVONPLQPZ-INIZCTEOSA-N	403.507	5.138	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	512201185	HMVQIASXWZYNSO-AWEZNQCLSA-N	421.324	5.873	30	20	HKED	
N#Cc1c(NC(=O)c2csc(-c3ccc(Cl)s3)n2)sc2c1CCCC2	512957988	ZDAKRHLVJWCKHN-UHFFFAOYSA-N	405.957	5.589	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)sc2C)cc1	513676946	NGUFWOFLSSNKGU-GOSISDBHSA-N	401.491	5.109	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)cc3)n2)cc1	516270234	QSGHXESLEMJXOT-MRXNPFEDSA-N	413.296	5.071	30	20	HKED	
Cc1ccccc1C1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	516883952	OIQLLLAGSWNPGE-LJQANCHMSA-N	407.583	5.207	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc2c(c1)OCCO2	517532595	MYWWMXZVFKSSKK-WBVHZDCISA-N	411.527	5.125	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1	517653250	BUJHWSBRGSDIRP-INIZCTEOSA-N	417.896	5.765	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccc(F)c(Cl)c1	518136675	SPAMVFYZRJDDCI-KBPBESRZSA-N	422.978	6.306	30	20	HKED	
Cc1noc(CSc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)n1	518137977	ZNHDJGKUFDDNIN-AWEZNQCLSA-N	424.551	5.174	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1	518170170	YWSOKSIPOSXKCU-ROUUACIJSA-N	421.566	6.690	30	20	HKED	
C=CC[C@@H](C)NC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1	523967350	LDNKRUWOYCUHPI-MRXNPFEDSA-N	407.539	5.186	30	20	HKED	
Cc1csc(N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)n1	524138510	TUXGYDVBUWEEQI-UHFFFAOYSA-N	415.474	5.474	30	20	HKED	
C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1C(F)(F)F	525079353	LMUAWNXCFDZMKJ-AWEZNQCLSA-N	414.383	5.240	30	20	HKED	
Cc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1Br	534508787	UEAZNHMREHPTOZ-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccccc1	537078699	OMXNCEJHZYABGW-YJBOKZPZSA-N	421.488	5.303	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccccc1C(F)(F)F	537158289	VGDGDCWQXAIKAK-HUUCEWRRSA-N	421.488	5.246	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1	539224088	XKCYBDZKGUCSRM-YJBOKZPZSA-N	401.963	5.414	30	20	HKED	
COCCOc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542016097	AKNCAQHTFSPVIC-SFHVURJKSA-N	415.493	5.133	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)n1	542945881	YGPHLLNJJUTDFQ-MRXNPFEDSA-N	418.806	5.072	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1	543278969	KDXMVHBWHNXPQA-MJGOQNOKSA-N	422.598	5.384	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)CCc2ccc(C#N)cc2)c1	544243053	RXXGHFRSUNSIDQ-BDYUSTAISA-N	410.517	5.257	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	553105057	WXAIFJNCHOUUAU-OALUTQOASA-N	421.463	5.071	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@](F)(c2ccccc2F)C1	554909321	CFNREYLFZMYJFU-QVKFZJNVSA-N	401.482	5.323	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(Cl)c(F)c2)cc1	555416399	NGFKDDRHFBYICB-UHFFFAOYSA-N	424.859	5.142	30	20	HKED	
Cc1c(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)sc2ccc(C#N)cc12	559909080	QBVGLZPQHSUCPI-OAHLLOKOSA-N	402.523	5.503	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1cccs1	562099766	JROBNMLXTXYRAU-FQEVSTJZSA-N	404.495	5.422	30	20	HKED	
CC1(C(=O)Nc2cccc3ccc(O)cc23)CCN(c2ccc(Cl)cc2C#N)CC1	571549062	VMJYZJXYKXZMBK-UHFFFAOYSA-N	419.912	5.316	30	20	HKED	
Fc1cncc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1	577403294	DZEBWLFGIHVAPC-ZDUSSCGKSA-N	420.250	5.652	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(C#N)c(F)c3)s2)cc1	577665755	DQLANGSQUKBKJR-CYBMUJFWSA-N	410.474	5.021	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cn1)c1ccccc1	581225548	OWSVSZYIEXUAPO-KBXCAEBGSA-N	411.383	5.125	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc(C#Cc2cccs2)c1	588786301	CBNJTXBCXNFVQI-UHFFFAOYSA-N	404.516	5.354	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@H](c2ccc([C@H](C)CC)cc2)c2cccs2)CC1	592479240	RGBSLONFPIIHAR-WZONZLPQSA-N	411.615	5.301	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	592825071	MITNTJLTEYHBIF-ZBFHGGJFSA-N	405.995	5.236	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	592973298	CJEOPPCKRNVXSC-CQSZACIVSA-N	408.479	5.663	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	598192166	BZTBBSJMLOFXTR-AOOOYVTPSA-N	420.300	5.191	30	20	HKED	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c12	603968982	RZKNLKPUAQPLAZ-UHFFFAOYSA-N	413.506	5.007	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](NCc2ccc(C#N)cc2F)c2ccccc2)cc1Cl	609234763	LPVHITVDLANBAW-QFIPXVFZSA-N	407.876	5.129	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3coc(-c4cccs4)n3)cc2)cc1	609261834	CCLXGVYRABOJLG-UHFFFAOYSA-N	401.447	5.248	30	20	HKED	
N#Cc1ccccc1CN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	609464371	BXJFCLVPSARGCI-RUZDIDTESA-N	416.569	5.247	30	20	HKED	
Cc1ccc([C@H]2COCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)o1	609729398	WTGTZXCISOMJIF-HXUWFJFHSA-N	422.868	5.119	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCC3(c4cccs4)CCCCC3)cc2)nc1	610048764	DNHCYWUPOXDAJS-UHFFFAOYSA-N	417.534	5.439	30	20	HKED	
C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1cccc(C#N)c1	610359416	JLOLDWGHALLPOB-CQSZACIVSA-N	424.426	5.131	30	20	HKED	
CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)no1	610497753	HSWWOQWSFZNZOV-IBGZPJMESA-N	418.522	5.022	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccc(F)cc2s1)c1nc2cc(C(F)(F)F)ccc2s1	613404329	KZTBOMLHJVSQJR-GFCCVEGCSA-N	420.412	6.159	30	20	HKED	
N#C[C@H](C(=O)c1cccc2c1OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1	614387053	YPMVPGQOEWCLFD-CYBMUJFWSA-N	417.273	5.336	30	20	HKED	
Cc1cc(Br)ccc1-c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1	618417218	WQCGWFJQCBNPKT-SFHVURJKSA-N	409.287	5.021	30	20	HKED	
Fc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(Br)c1	618450136	JGILFYJOHHBDRN-UWVGGRQHSA-N	408.155	5.151	30	20	HKED	
COc1ccccc1-c1nc(Cn2cc(C#N)c(=O)c3cc(C)cc(Cl)c32)cs1	619791619	JSVRJANUXYYEBE-UHFFFAOYSA-N	421.909	5.015	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	620576312	HMQAYEDAJDYVQC-HNNXBMFYSA-N	420.431	5.186	30	20	HKED	
C[C@@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1F	677856302	REGXIIWMQRVWNU-ZNSHCXBVSA-N	403.313	5.094	30	20	HKED	
O=C(NCc1ccc(C(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	680923638	CJEREERRRVYBDV-ITGUQSILSA-N	418.328	5.333	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1-c1ccccc1Br	726323066	XDJCJKNJLRGYDJ-CQSZACIVSA-N	420.266	5.086	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1	727305480	OVWWHHCQUQGSTG-QFIPXVFZSA-N	420.434	6.031	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2csc(-c3cccs3)n2)cc1	728425647	KLBQFKHEZIYBLX-UHFFFAOYSA-N	417.972	5.291	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1cccnc1Cl)C(=O)c1ccccc1	728698095	CMLQRMLNOYWWNL-LTGZKZEYSA-N	418.924	5.765	30	20	HKED	
O=C1/C(=C/c2nccn2CC(F)(F)F)CCc2nc(-c3ccc(Cl)cc3)sc21	728699841	XEMMBLLUINTLIC-FMIVXFBMSA-N	423.847	5.435	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)Nc1ccccc1-c1ccccc1	731321210	NVVVHFCOXDGCCH-QGZVFWFLSA-N	403.576	6.557	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Oc1ccc2oc3ccccc3c2c1)c1ccccc1	731598963	SZVWWMLEXPWZPU-UHFFFAOYSA-N	412.445	5.218	30	20	HKED	
Cc1ncc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	732901361	OWKTXVXXPVIAMH-MFBWXBCUSA-N	420.346	5.772	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccncc1	734459166	FOCLHPSWMUBDOK-LJQANCHMSA-N	413.399	5.335	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)Cc3csc(-c4ccccc4Cl)n3)[nH]c12	735792141	IJVXUVCPTMPPSL-HNNXBMFYSA-N	406.898	5.067	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	739154993	OGCHXBSTBRIYMA-SUMWQHHRSA-N	403.309	5.397	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC=C(c2cccc3ccccc23)CC1	739847887	XUHYXDPTDPFNMH-UHFFFAOYSA-N	405.505	5.025	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(F)c(Br)c2)c(SC)cc1OC	741166173	XWNDVMWDMTUKKM-FNORWQNLSA-N	411.292	5.223	30	20	HKED	
N#CCOc1ccccc1C(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl	742002188	WZXINQLMIBMBGG-OAQYLSRUSA-N	412.823	5.040	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1F	743475549	VMBJMXMXBCPQKL-QFIPXVFZSA-N	424.859	5.256	30	20	HKED	
CCCN(CC)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	744062641	UFHCFAADPPWLCY-NRFANRHFSA-N	414.534	5.408	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1Cl	745723515	AEZHMEFAHAWAGA-UHFFFAOYSA-N	412.345	6.269	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3nc(S)oc3c2)cc1Cl	746127353	BDDOPMVSZKKTCI-KRWDZBQOSA-N	419.893	5.678	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc3ccccc23)cs1	747060505	UDKUVBBQRIYARS-UHFFFAOYSA-N	420.925	6.080	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N(c1ccc(CNC(=O)OC(C)(C)C)cc1C)C1CC1	749151032	QXAMPWQOEANARU-UHFFFAOYSA-N	419.525	5.009	30	20	HKED	
C#Cc1cccc(NC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)c1	750585743	FUFGOQXOVHLRJY-UHFFFAOYSA-N	420.534	5.023	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(C)s2)cc1	750706152	QHSBAVRRSNCUMR-OAHLLOKOSA-N	407.495	5.612	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2COc3c(Cl)cccc32)cc1	757812280	CMRXJLVYTNJELN-FPOVZHCZSA-N	403.869	5.251	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	757887234	TZMXTGDJAWKAIV-HLADLETHSA-N	416.546	5.022	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cncc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759217617	TUZDLMBONCDDDI-NTHKTCTLSA-N	418.280	5.541	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)CC1	763927453	JHRKOZQGFUZBCV-UHFFFAOYSA-N	422.960	5.450	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)sc21	764315827	QACKGGOULVZNQH-UHFFFAOYSA-N	410.842	5.079	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cnc(-c2ccccc2)s1	764752024	QGYCVZRTVQGZNH-UHFFFAOYSA-N	419.293	5.138	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCC#N)c1cccc(OCc2ccccc2)c1	765183848	CJNOGOCMFDQMOT-GOSISDBHSA-N	402.519	5.372	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	767885046	WVZXTNZOVSCRQG-GOEBONIOSA-N	403.404	5.018	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCC(C(F)(F)F)CC1	774045097	XLQYHEYDPORBHX-MGULZYLOSA-N	420.403	5.017	30	20	HKED	
Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2Oc2ccccc2C#N)c(C)c1	778177638	JPGYOGQYJHSUEK-UHFFFAOYSA-N	414.461	5.071	30	20	HKED	
Cc1cc(C)n2c(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cnc2n1	779595285	HBSUCRXVDONEQH-UHFFFAOYSA-N	417.900	5.062	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787046823	SVNFMQWYFOYDLO-DANNLKNASA-N	421.349	5.053	30	20	HKED	
N#CC1(N(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C2CC2)CCC1	791003682	DRYOKQLGEYTJGN-UHFFFAOYSA-N	419.575	5.639	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1	794701250	LKYBZGBIONVWTN-JDZKTDJGSA-N	402.446	5.110	30	20	HKED	
CO[C@@H]1CCC[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	796642308	AVFKGISIEUFKEH-XNRPHZJLSA-N	423.365	5.888	30	20	HKED	
N#CC1(CCCOC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)CCOCC1	800146669	DWWVPZASPHQHPN-UHFFFAOYSA-N	418.468	5.298	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1	802043529	FITXCRLNQFIWFT-FUHWJXTLSA-N	418.415	6.024	30	20	HKED	
N#Cc1sc(N[C@H](Cc2ccccn2)c2ccc(Br)cc2)nc1Cl	804647669	ZYMFIZFHHXFWQO-CQSZACIVSA-N	419.735	5.222	30	20	HKED	
Cc1ccc([C@H](O)[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	806230001	BNVISSWTBXYGGR-HOYKHHGWSA-N	415.493	5.211	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1	813215749	BNCNORANRDIFPT-ABAIWWIYSA-N	411.221	5.233	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)/C=C\c3ccc(Cl)s3)s2)cc1	821771602	GXYKDAPKDIHYPN-VURMDHGXSA-N	418.956	5.069	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1	915353264	MMFVTJPAQJWTFN-SANMLTNESA-N	424.548	5.082	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1	915354049	UGGUDTYGWLNKCE-RUZDIDTESA-N	410.521	5.005	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNCc1cccc2cccnc12	915959908	UQSUKYNVHSRXLV-UHFFFAOYSA-N	424.335	5.219	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(Oc2ccccc2)cc1	916005523	FYFSSDAXSORDSP-UHFFFAOYSA-N	401.535	5.960	30	20	HKED	
COc1cc(C(=O)Nc2cccc(OCC#N)c2)ccc1OCc1ccc(Cl)cc1	916411087	PEHVYNNICUFVNE-UHFFFAOYSA-N	422.868	5.082	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)C2(c3cccc(Br)c3)CCCC2)nc2ccccc21	916844854	GYDIHWKAVUYSHP-KRWDZBQOSA-N	422.326	5.024	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)nc2ccccc21	916845455	XPSACTVTVGORNC-DPCFLFMUSA-N	417.921	5.845	30	20	HKED	
CCCCc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928954	ZCKHNJHHQXOCEI-QGZVFWFLSA-N	403.309	5.226	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(Cl)cc3)n2)cc1	920140322	BRXMZAHLURJISC-GOSISDBHSA-N	419.893	5.175	30	20	HKED	
CCC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)CC1	1787880165	RRCKVLQUNVHWOO-WGSAOQKQSA-N	407.558	5.031	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3sccc3C)CCC2)cc1	1791299954	RQNQPYAZDDSYPM-UHFFFAOYSA-N	404.482	5.016	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3cccs3)CCC2)cc1)C(F)(F)F	1791305592	UXDJEBDMHJCOKM-CYBMUJFWSA-N	422.472	5.104	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824675753	BRXPTBOKVRLTFE-SFTDATJTSA-N	414.615	5.058	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)cc(Cl)c1OC	16385161	VSLRBFMRQXMMRF-FNORWQNLSA-N	412.816	5.253	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CC1	21143732	RJTGKVXAYGWZLC-MRXNPFEDSA-N	420.538	5.253	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1C1CC1	21163502	ZIDQBNQRUNEMSA-FQEVSTJZSA-N	404.539	5.122	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ncc(-c2ccc(F)cc2)o1	48053448	UWZZKSCKPKPWNF-UHFFFAOYSA-N	406.486	5.141	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)s1)c1nc(-c2ccc(Cl)cc2)cs1	60488320	GSQVDQVMUZXFDD-NSHDSACASA-N	423.744	5.778	30	20	HKED	
C=CCN(CCC(=O)Nc1ccccc1-c1ccccc1)Cc1cccc([N+](=O)[O-])c1	63288192	PLZLXDDGQUMFCQ-UHFFFAOYSA-N	415.493	5.279	30	20	HKED	
N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ccc(-c2ccccc2)cc1	63563173	MDPSWFAXAAJAAL-UHFFFAOYSA-N	410.502	5.142	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1	65870097	AKUXTLMFEWXTMP-UHFFFAOYSA-N	404.510	5.075	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1cccc(F)c1F	97542539	HZQGEMKPQKBTKI-UHFFFAOYSA-N	406.432	5.295	30	20	HKED	
COc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(Oc2ccccc2)c1	254300981	XRYIEESEOIAWHB-UHFFFAOYSA-N	402.479	5.291	30	20	HKED	
C=CCN(C(=O)c1cc2ccccc2c(OC)n1)c1nc(-c2ccccc2)cs1	302973334	DLIHDEVTMHJTIL-UHFFFAOYSA-N	401.491	5.200	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1C(F)(F)F	321755187	BQRMMNCKEBKEHI-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc3cc(Br)ccc3o2)s1	430603521	KLFGVZUAELDORM-LBPRGKRZSA-N	403.301	5.439	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCC(F)(F)F)c1)c1nc(-c2ccccc2)cs1	431164249	UQKWFLPXMKRMGZ-INIZCTEOSA-N	402.397	5.241	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	432964615	BABBOJWJKGKAQM-UHFFFAOYSA-N	416.403	5.383	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(Cl)cc(Br)c1F	435875120	QCBODEXTYLKEKS-UHFFFAOYSA-N	413.699	5.500	30	20	HKED	
CN(Cc1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCCC1	439301714	HDWRCLCBPNMRBF-QHCPKHFHSA-N	404.558	5.618	30	20	HKED	
N#Cc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)c(OC(F)F)c1	439530638	POXXLMSFQABFNX-UHFFFAOYSA-N	418.494	5.031	30	20	HKED	
COc1cccc(Oc2ccc(N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cc2)c1	439575541	RVEHELIDVYPYTI-IBGZPJMESA-N	415.493	5.235	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1	446166334	BFSNFDCIQJJHHL-OAHLLOKOSA-N	424.957	5.737	30	20	HKED	
N#CCCCC(=O)N(Cc1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2	464280280	XEFGNWOWHGGUMW-UHFFFAOYSA-N	402.485	5.279	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CCc1cccn1C	466131310	RCBWBGDLPINOKT-GOSISDBHSA-N	402.498	5.140	30	20	HKED	
C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1	468304612	FXBYCYWXUOLGEI-MRXNPFEDSA-N	404.432	5.046	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)cc1	470145194	RLDAGTYAMRLDNC-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)cc1	471921567	CZRMPIALSVFPRC-SFTDATJTSA-N	404.535	5.073	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1	474955545	QUNXVEKVRFBWKJ-KRWDZBQOSA-N	408.395	5.130	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC	475577993	KHIXENKSZZGFRW-QHCPKHFHSA-N	420.601	5.452	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)COc1ccccc1OCc1ccccc1	476085099	JQORXLANCYOUPJ-UHFFFAOYSA-N	415.533	6.135	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)c1	477999148	ZTHPRNDEFUVBLU-UHFFFAOYSA-N	413.688	5.412	30	20	HKED	
CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	483487629	WRHVFCMZABEENV-YADHBBJMSA-N	409.555	5.127	30	20	HKED	
CCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	485341707	MCXXBKRGKHZWKP-IBGZPJMESA-N	407.905	5.255	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)cs1	487275282	WWEQVVKVBMJNFK-QFIPXVFZSA-N	421.591	5.909	30	20	HKED	
COc1cccc(-c2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)c1	488767463	OETPCIMJGMYSMT-UHFFFAOYSA-N	407.442	5.396	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)c1	495074323	LOHKWGNYWOSFJX-UHFFFAOYSA-N	401.388	5.138	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cccnc1	496499253	UPVTXUILSFJWNB-GAJHUEQPSA-N	419.912	5.012	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H](C#N)c1ccccc1Cl	499959293	QZCFVZHLQZSJLJ-INIZCTEOSA-N	402.306	5.420	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	500293358	BFBCOSOJLAZYMV-KDOFPFPSSA-N	419.472	5.175	30	20	HKED	
N#CCc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1	500390300	MRWFHXZQRNSOIY-UHFFFAOYSA-N	412.880	5.511	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(CC2CCCCC2)c2ccccn2)o1	507975076	OHTKCSQYYLWVGE-UHFFFAOYSA-N	415.493	5.352	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@H]2CCc2ccccc2)ccc1OCC(F)(F)F	510345334	ZFECPCWNIQNRDS-IBGZPJMESA-N	417.431	5.128	30	20	HKED	
CCN(Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1)C(C)C	511337029	CWGWJBQMSFGYTF-UHFFFAOYSA-N	418.566	5.088	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)c1occc1COc1cccc(C#N)c1	512822487	RBVSYKREOKBGAS-UHFFFAOYSA-N	423.472	5.277	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2ccccc2s1	513656157	YMLWGLAXEDWBLV-FQEVSTJZSA-N	424.481	6.112	30	20	HKED	
C[C@H](Cc1ccsc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	516469009	OAUNNEYDPOLEDA-QGZVFWFLSA-N	405.523	5.146	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(OCC(F)(F)F)cc1	518625420	WTVNRVZCWRIRLM-CQSZACIVSA-N	405.420	5.312	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)Cc1ccc(OC)cc1	518755897	QZXKMOQSCQNWKZ-ROUUACIJSA-N	411.571	5.574	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-n2cccc2)c(F)c1	519089486	TZPDBBCICBHZEQ-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc(OC)cc3)cc2F)cc1	521267510	YSRIHSXHGSWXTO-UHFFFAOYSA-N	418.468	5.460	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CSC2CCOCC2)c1	523794509	AVYJLZYREYFLDN-HSZRJFAPSA-N	424.566	5.013	30	20	HKED	
Cc1ccc(CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)[C@H]2CCc3ccccc32)cc1	523907907	QWEWBORZSPFFBQ-IBVKSMDESA-N	409.533	5.827	30	20	HKED	
Cc1cccc2c(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c[nH]c12	525456996	OXGPNAHZCIZZEM-UHFFFAOYSA-N	413.452	5.247	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)Cc2cccc(OCc3cccc(C#N)c3)c2)cs1	537619619	HOXCQJGCUSDOOQ-SFHVURJKSA-N	421.566	5.323	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1C	538220805	VNLCNOSREFSRLY-UHFFFAOYSA-N	409.493	5.328	30	20	HKED	
C=CCCOCCCCC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C	539401534	WCAWDBOWHBBUMU-UHFFFAOYSA-N	409.505	5.389	30	20	HKED	
CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)c(Cl)c1	540273189	CAGSQWRVUQKUPY-JKSUJKDBSA-N	408.807	5.267	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(CC#N)cc1	543142895	MCNINAGCMOOVAY-UHFFFAOYSA-N	410.930	5.055	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1	543357815	YTMCCPVNFRYXFN-CYBMUJFWSA-N	422.312	5.115	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1	543357818	YTMCCPVNFRYXFN-ZDUSSCGKSA-N	422.312	5.115	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	548791354	CRVKBRIVLWXAMP-UHFFFAOYSA-N	413.365	5.177	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccccc3-c3c(F)cccc3F)C2)c(F)c1	553467195	BYGONDYDQUKLGM-MRXNPFEDSA-N	421.422	5.108	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@](F)(c2ccccc2F)C1	554909318	CFNREYLFZMYJFU-BTYIYWSLSA-N	401.482	5.323	30	20	HKED	
C[C@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	558510884	HTJZUPGVQZQKOV-DEOSSOPVSA-N	416.456	5.080	30	20	HKED	
C=CCn1c(SCC(=O)c2cccc(Cl)c2Cl)nnc1-c1ccoc1C	574058008	ZPQSNWXTIOPTFN-UHFFFAOYSA-N	408.310	5.314	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H](C)c1sc(-c2ccccc2)nc1C	579292192	AINQVLQXAJSYNW-KVSKMBFKSA-N	423.586	5.191	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1	588303535	LSSGJENAETZENS-GOSISDBHSA-N	415.940	5.012	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1ccc(F)cc1	588350702	SIUUFKYXKGAPBH-UHFFFAOYSA-N	412.515	5.587	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2ccccc2SCc2csc(C)n2)cc1	589078385	IUKZLPBPFODHCR-FQEVSTJZSA-N	407.564	5.301	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(CSc2ccccn2)c1	591507640	KEHBFWMZOKMYSX-UHFFFAOYSA-N	419.550	5.603	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1	592075794	VWVMGEITDSPTOX-UHFFFAOYSA-N	420.450	5.282	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2cc(F)ccc2s1	592974806	ZQESIOUSNGEJJD-MRXNPFEDSA-N	410.401	5.237	30	20	HKED	
Cc1c(NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)cccc1[N+](=O)[O-]	609432457	QTNUAQSOYZJHTP-INIZCTEOSA-N	416.437	5.006	30	20	HKED	
CCN(CC)Cc1ccccc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	609434889	YJHATQIZJVDMLC-GOSISDBHSA-N	410.587	5.244	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C	609444466	AGCPRSFJBZJDGX-UHFFFAOYSA-N	402.498	5.086	30	20	HKED	
Cc1ccc(C2(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCOCC2)cc1	609501944	KLLZFMAYBLDONU-UHFFFAOYSA-N	412.489	5.346	30	20	HKED	
Cc1ccc([C@@H]2COCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)o1	609729109	KZGXPHMQSOSELN-FQEVSTJZSA-N	422.868	5.119	30	20	HKED	
C[C@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1cccc(C#N)c1	616044488	QLDPDCRTCAOFJE-AOMKIAJQSA-N	417.488	5.085	30	20	HKED	
C[C@H](c1ccccc1Cl)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1	725795098	LQOZFCDURTWHBG-PBHICJAKSA-N	409.942	5.352	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(Br)c1)c1nc2cc(Cl)ccc2s1	726322933	RLNYBXZGJVNBNP-CYBMUJFWSA-N	405.704	5.131	30	20	HKED	
C[C@H](NC(=S)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccs1	726473373	ZQSUCLFLBKGHHK-ZDUSSCGKSA-N	413.955	6.113	30	20	HKED	
CCCCOc1ccc(C=NOCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC	727437247	PFCCSQQBZQKXIL-UHFFFAOYSA-N	414.889	5.733	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=NNc2nc(-c4ccccc4)no2)CCC3)cc1	727778909	SWLUCSXDFGFZGA-UHFFFAOYSA-N	417.494	5.021	30	20	HKED	
CCOc1ccc(O)c(C=Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c1	727972909	KYYCKFOXYNFBRR-UHFFFAOYSA-N	422.447	5.176	30	20	HKED	
COC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	728470111	CVVSQFJXJSTYNZ-UHFFFAOYSA-N	401.422	5.090	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2C)cc1	731024593	ALLMITOSFRAQGE-INIZCTEOSA-N	419.550	5.607	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccccc2)CCCC1	731066078	QTSYTKAYNYCHIN-SFHVURJKSA-N	422.550	5.075	30	20	HKED	
Cc1c(Cl)cccc1Nc1nnc(SCc2ccc(OCC#N)cc2)s1	731158075	PPJYBFNIYMLNGW-UHFFFAOYSA-N	402.932	5.438	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(Oc3cccnc3)c(C)c2)cc(OC)c1OC	732713826	LSVPRGRXVYSEBN-VQHVLOKHSA-N	405.450	5.104	30	20	HKED	
C[C@H](NC(=O)C(C)(C)Sc1ccc(Br)cc1)c1ccc(C#N)cc1	735998198	NQJBVZYMNNVLPJ-ZDUSSCGKSA-N	403.345	5.069	30	20	HKED	
C=CCN(C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12)C(C)C	737495948	MVQPWSNCDURGIE-UHFFFAOYSA-N	403.404	5.254	30	20	HKED	
CC(C)(CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)NC(=O)OC(C)(C)C	737521352	RTEOWJIUYRSITD-UHFFFAOYSA-N	423.513	5.373	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](c2ccccc2Cl)c2ccccc2OC)c1	741485549	WQLSNKDOQUFGGB-JOCHJYFZSA-N	406.938	5.406	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1sc(-c2ccc(Cl)s2)nc1C	741636368	JFTPEQIKVBWHGD-UHFFFAOYSA-N	406.891	5.237	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccccc2OCC(F)(F)F)ccc1OC(F)F	741851674	CWOVPCMOGCWNNZ-VURMDHGXSA-N	402.315	5.134	30	20	HKED	
COc1cc(CSCc2cccc(Cl)n2)ccc1OCc1cccc(C#N)c1	743248968	YRHZRSLLALPXOH-UHFFFAOYSA-N	410.926	5.628	30	20	HKED	
FC(F)(F)c1ccc2sc(NN=Cc3csc(-c4ccccn4)n3)nc2c1	743445171	HOFJNFFCCUZGGJ-UHFFFAOYSA-N	405.430	5.280	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	744030119	ZSTJOJZSKVZUKY-IZLCOFNUSA-N	422.406	5.609	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030893	NRQZMKGYCNPZMA-MLGOLLRUSA-N	407.272	5.049	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nnc(-c3cccc(F)c3)o2)cc1	744390073	QFFGETCPCSBFPW-UHFFFAOYSA-N	416.431	5.089	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc(F)c(C)c1)c1ccccc1Cl)c1ccncc1	745828964	WUZLULIBIPWSIY-XZOQPEGZSA-N	423.919	5.889	30	20	HKED	
COc1cc(C(=O)/C=C\c2cc(Br)c(OC)s2)ccc1OC(F)F	746523795	YELQAYUMLHPFJJ-PLNGDYQASA-N	419.243	5.025	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)n1	747196228	JTRXSVZBGOGECU-NSHDSACASA-N	407.973	5.524	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1	747196952	RBDWWRSVTXUNOJ-IIBYNOLFSA-N	412.461	5.541	30	20	HKED	
O=C(/C=C/c1ccc(-n2cncn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750915851	IOIKIVIJFIMSQG-ZZXKWVIFSA-N	411.305	5.201	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(CCC(F)(F)F)cc1	752477362	OIWXCCFJNRQEBV-IBGZPJMESA-N	416.443	5.267	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc2ccccc2nc1Br	760188987	ZGSCQBSXJOXZEZ-UHFFFAOYSA-N	402.317	5.279	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccccc2OCc2cccc(Cl)c2)c1	760478356	RZWWURYUIYILRE-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
Cc1c([C@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C(C)C)oc2ccccc12	761688812	OKBBRSJKYIXJMK-XZOQPEGZSA-N	417.509	5.093	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccc(Br)cc1F	767735959	NQXDZACQVNFORY-BAQGIRSFSA-N	412.258	5.458	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)ccc1OC	774234880	DNDKGDRHDJAPIA-OCCSQVGLSA-N	409.313	5.239	30	20	HKED	
C[C@H](NCc1cc(Cl)ccc1OCC#N)c1cccc(NC(=O)c2ccccc2)c1	774863766	MPJXUWORBFYZEQ-KRWDZBQOSA-N	419.912	5.345	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(OC)cc1	776084187	JLBWIBJOQOJVFN-VQTJNVASSA-N	406.507	5.197	30	20	HKED	
C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1ccccc1	779181720	CISPFOUTLJBPBW-KRWDZBQOSA-N	416.502	5.035	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)n1	788579829	IXRGPCSZICJDQC-UHFFFAOYSA-N	424.957	5.375	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1	802035366	GBZYLYLMLMJCFP-FOIQADDNSA-N	400.478	5.010	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21	807153887	DLHWCPQOSZENPM-IBGZPJMESA-N	414.550	5.040	30	20	HKED	
CC(=NNc1ccc(Br)nc1)c1sc(-c2ccc(F)cc2)nc1C	814847375	LJVBESWGOVCWIQ-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)N[C@H](C#N)c3ccc(Br)cc3)ccc2c1	913205704	GMRWASLOWRTHQB-XUTHQZMASA-N	421.294	5.005	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915085923	QASKMSLJBOHRIW-QHCPKHFHSA-N	423.541	5.950	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915086326	JIECVMUFGOQVHN-XMMPIXPASA-N	424.479	5.536	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1	915086441	JQEWFMQZGMFFNA-AREMUKBSSA-N	409.533	5.580	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1	916137876	JQHNDTTVSCCHCR-VZUCSPMQSA-N	420.396	5.381	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3cc(=O)oc4cc5c(cc34)CCC5)c2)c1	917932154	XJPZQKSTLBYEDI-UHFFFAOYSA-N	422.484	5.344	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1	1789048860	KOCYEUBBDFLVLL-UHFFFAOYSA-N	420.534	5.100	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccoc45)cc3)CCC2)C1	1790953339	VGAFEMPLINLKIB-UHFFFAOYSA-N	400.478	5.147	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C(C)(F)F)CCC2)cc1	1791299157	UQJKGAMVNHUNCT-UHFFFAOYSA-N	414.443	5.013	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4(C)CCC4)CCC3)cc2)c1	1792122833	YVYXIXZCQNMDDM-GOSISDBHSA-N	415.537	5.252	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1829071305	SJXVKAYXMWMZPZ-GJZUVCINSA-N	414.634	5.345	30	20	HKED	
COc1cccc(NC(=O)[C@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c1	5641885	YOVADWMDVYXTBJ-OAQYLSRUSA-N	403.507	5.051	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(\S)Nc2ccc(OC)cc2)cc1	22731226	VFDZQAKSWUZBCU-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c1	26142548	ALBVDKPMVAACSE-NSHDSACASA-N	411.474	5.122	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1ccc(Cl)cc1	60423875	QMYOUFRQPRSWEI-AWEZNQCLSA-N	403.910	5.689	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1F	64693156	YZHZXOKIAXVXPE-AWEZNQCLSA-N	413.518	5.121	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc(OCC)cc2)cc1OC	196480673	PVSSUHGHLQQEGL-OZOJFGJPSA-N	407.510	5.036	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(N2CCCCC2)cc1	303374897	UIQFXXZFNYFNLA-GOSISDBHSA-N	408.571	5.122	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](CC)c1ccc(F)cc1	303773219	JPMNHVVLBSVONV-LJQANCHMSA-N	401.482	5.565	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccccc2n1CC(F)(F)F	426322819	KUBBNWAMPDOFNO-CQSZACIVSA-N	417.456	5.850	30	20	HKED	
C=CCN(C(=O)c1cnc(-c2ccccc2)nc1C)c1nc(-c2ccccc2)cs1	428333140	JXJRGAOULVDKPE-UHFFFAOYSA-N	412.518	5.408	30	20	HKED	
CCSc1ccc([C@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1	428710851	PFFDYGQIEDHCSW-KRWDZBQOSA-N	404.539	5.067	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1	433013342	XEQRAVDELGYBKP-KRWDZBQOSA-N	409.839	5.322	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCSC(C)(C)CC1	433215557	YQGMKZXTWUPNIX-UHFFFAOYSA-N	409.555	5.195	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3C#N)c2)cc1	433976457	MFAWONLLAVAFJO-UHFFFAOYSA-N	416.452	5.050	30	20	HKED	
Cc1cc(C)c(NC(=O)CSCc2ccc(C#N)cc2OC(F)F)c(Cl)c1	439537763	UGUNMJZPSHTYJM-UHFFFAOYSA-N	410.873	5.302	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCCN2CCCC2)CC1	443942442	QDLZMWRVGINMLW-LJQANCHMSA-N	414.619	5.201	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H](C)c1cccc(O)c1	460377988	VMXNDBLNFQBQDO-IAGOWNOFSA-N	410.493	5.036	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1cc(Br)ccc1Cl	462223364	OWLFUOFWLPIEJP-UHFFFAOYSA-N	414.690	5.774	30	20	HKED	
CCO[C@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1=CCCC1	465025589	IIBTYGPJEKZIGV-XMMPIXPASA-N	404.510	5.176	30	20	HKED	
N#Cc1cccc(CCNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	466422176	KHDSJOPGQJSGPJ-UHFFFAOYSA-N	424.331	5.450	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1	466701760	FYISGTCQRAEUFB-NSHDSACASA-N	423.913	5.726	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1c(F)cccc1OC(F)F	467707334	XQZZNUVLTFCORS-LBPRGKRZSA-N	409.433	5.001	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1	469912059	ZOGTVBLAJWEWDQ-UHFFFAOYSA-N	416.312	5.184	30	20	HKED	
CCCn1ccnc1CCCN(C)C(=O)c1ccccc1Sc1ccccc1C#N	469966340	KULBKMOSTYOXIA-UHFFFAOYSA-N	418.566	5.021	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1	470600982	NKARCQYSTBWAHR-VKJFTORMSA-N	401.557	5.136	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(OC(F)(F)F)c1	470603542	XTXCMKIOPKJBIO-AWEZNQCLSA-N	423.460	5.643	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	475556958	VJDMLKWOJYGOHT-XMMPIXPASA-N	419.956	6.498	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	475899780	NNXXKSPMOILFEN-KBMIEXCESA-N	419.475	5.385	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C)c1ccc(F)c(F)c1	477728657	PPXZKPBMWBTBLB-KSSFIOAISA-N	407.530	5.873	30	20	HKED	
Cc1nc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)sc1C	478232684	MYGLLLCCZOABCL-IBGZPJMESA-N	424.957	5.433	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(OCc2cscn2)c1	480612914	OJZQJNMQVNFZLI-UHFFFAOYSA-N	419.959	5.657	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	482021374	LXOCHPSJMTUCLS-CXAGYDPISA-N	406.379	5.293	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	482103644	KIFMZSFYPFCXSV-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCCC[C@H]1c1ccccc1	484651642	UNDAZAXUQZKATI-HLAWJBBLSA-N	407.583	5.335	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc2cc(Br)cnc12)c1ccccc1	486821311	JQNBRYPYNDLENW-QGZVFWFLSA-N	409.287	5.164	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1cccc2ccccc12	487361622	RWYUBLAIDNAMAG-ZWKOTPCHSA-N	403.551	5.523	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	488272901	ODJKILVDXUCJHN-GOTSBHOMSA-N	403.526	5.236	30	20	HKED	
C=C(C)Cn1c(SCc2cc(C)ccc2OC(F)F)nnc1-c1ccncc1	488286639	PZMATFBMFAUMFK-UHFFFAOYSA-N	402.470	5.118	30	20	HKED	
N#CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1	497351858	CECXXMZZRUHMJN-UHFFFAOYSA-N	407.813	5.211	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1	498136085	OFGYDNNCGHJEEG-SFHVURJKSA-N	412.530	5.111	30	20	HKED	
COc1ccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1Oc1ccc(C)nn1	499241208	GAVFGKGHELWYEP-UHFFFAOYSA-N	417.469	5.031	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)ccc1C	501962880	QNQYRAUPBIFXIL-UHFFFAOYSA-N	412.489	5.646	30	20	HKED	
C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	502232498	LKBWOCCEIMVQRA-OAQYLSRUSA-N	417.431	5.085	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc1	504841671	FKDLVEKPJMLDTM-UHFFFAOYSA-N	409.898	5.271	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	505776469	KARROTWNBQKVFZ-LBPRGKRZSA-N	403.841	5.296	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](COc4ccccc4)C3)c2)cc1	506913605	FJVBCEGWFQLGEU-FQEVSTJZSA-N	413.477	5.283	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509295409	UKMZXAZUKQJYFN-HZPDHXFCSA-N	407.329	5.672	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(Br)c1)c1nc2ccccc2n1C(F)F	511914222	KNBPSHIJFWJZDA-SNVBAGLBSA-N	424.632	5.337	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1-c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1	512031229	MPINZSZTASJQRQ-ZDUSSCGKSA-N	405.273	5.537	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1	513655058	OXQZQCLWMQQDLV-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
N#C[C@@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2s1	513692044	IUZDQBMXHNZHAQ-SFHVURJKSA-N	421.485	5.034	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc2ccccc2s1	516267289	VBGKVMADQVPODD-ZDUSSCGKSA-N	413.289	5.279	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(OCCCC#N)c2)cc1C	518059297	NEKOBTDNBQATEE-UHFFFAOYSA-N	412.489	5.469	30	20	HKED	
CCOc1ccc(NC(=O)NCCSCc2ccccc2C#N)c(C(F)(F)F)c1	518877836	CGVNTKUMRMYGLU-UHFFFAOYSA-N	423.460	5.031	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1nc(C#N)cs1	519037272	XLXXOGMXDCQESH-SNVBAGLBSA-N	419.373	5.060	30	20	HKED	
Cc1cc(C)cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	520835923	ZRMHWBIXHLXIFI-UHFFFAOYSA-N	408.445	5.346	30	20	HKED	
N#Cc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)nc1	521078185	LSEWSOIZDXQPSN-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
C[C@H]1CCCCN1Cc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1	521090243	DJGHICDMWPQMTH-FQEVSTJZSA-N	405.542	5.120	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	523424012	WPGQMJNZNYIOCA-DEOSSOPVSA-N	414.509	5.456	30	20	HKED	
CCO[C@@H](C)c1nc(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1	524213546	VPJSOUNSCLOLGM-HNNXBMFYSA-N	407.495	5.086	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1C#N	524877294	LURWQRYSKVPGSU-UHFFFAOYSA-N	406.555	5.185	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(CC(F)(F)F)cc3)cc2)cc1	525542944	OZRBXZHOQVEYAO-UHFFFAOYSA-N	410.395	5.902	30	20	HKED	
C=CC1CCN(Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)CC1	533760341	BAEIODAAHGPGPY-UHFFFAOYSA-N	409.477	5.245	30	20	HKED	
C=CCC[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(C(F)(F)F)cc1	534848872	WOCNNEUAOLDXJI-JKSUJKDBSA-N	410.461	5.451	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(C(C)(C)C)no1	535598920	NZXDOXOGHDYDFC-ZDUSSCGKSA-N	424.888	5.175	30	20	HKED	
N#Cc1cccc(CNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1F	538210853	NUCXHORGLNNBFW-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
Cc1ccc([C@H](NCCCC2(C#N)CCOCC2)c2ccc(F)cc2Cl)cc1	540809471	JBNQVGAWZGUVBD-QFIPXVFZSA-N	400.925	5.567	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	542726794	FVFXVFKJQKSEOE-UHFFFAOYSA-N	421.476	5.232	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCCCO1	543084147	IYBQUDNPLKRSPR-VXGBXAGGSA-N	423.275	5.013	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1	551577783	UUKUNBDHZUIQMF-UHFFFAOYSA-N	410.399	5.145	30	20	HKED	
C=CCOc1c(Br)cc(CN2CC(C)(C)[C@@H]2c2ccncc2)cc1OC	552279384	DVWKKUMOQWGNRU-FQEVSTJZSA-N	417.347	5.001	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(Br)c1OC(F)F	553933548	QVRBPQAASAVOTR-KRWDZBQOSA-N	407.258	5.089	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C(F)(F)F)c1	561409285	ZEHCPXPNGWLIJZ-CYBMUJFWSA-N	423.460	5.430	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NCc2cnc3c(C#N)cnn3c2)c2cccs2)cc1	566927816	RIRCHEVRPXYVHG-OPAMFIHVSA-N	401.539	5.055	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1cc(C)n(CCC(C)C)c1C	568727176	PBIZBONNJFPSIV-UHFFFAOYSA-N	423.944	5.182	30	20	HKED	
CC[C@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1	569432867	LQOMFUZQTIEECC-GOTSBHOMSA-N	420.354	5.740	30	20	HKED	
CCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OCC	603765067	SYUUNJZLGSSOBR-UHFFFAOYSA-N	417.465	5.185	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	604128974	FIROCNKAZAGRAO-QFIPXVFZSA-N	407.876	5.282	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4nc(O)oc4c3)cc2Cl)cc1	604329460	QEDJIRMJPNQYHE-UHFFFAOYSA-N	405.797	5.103	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2)cc1	604690916	ODTBCJHTQKGALP-HXUWFJFHSA-N	421.378	5.041	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(OCC(F)(F)F)c1C	609049389	KONLEYJGAGLWMU-UHFFFAOYSA-N	403.404	5.028	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)cn2)c1	609126428	IIHYLKUKASDAML-LJQANCHMSA-N	411.383	5.420	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2ccc(C)cc2)cc1F)c1nc(C(=O)OCC)cs1	609298142	ILKKDNFVUOVYRF-UHFFFAOYSA-N	424.497	5.267	30	20	HKED	
COc1ccccc1CCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609378407	GFJOUUBIEGFLHU-UHFFFAOYSA-N	408.445	5.291	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1cccc(Cl)c1	609401933	LKEAPIVCWNJAQJ-HNNXBMFYSA-N	403.935	5.134	30	20	HKED	
CC(C)OCc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	609600967	HHQHLCYFPNCNJS-UHFFFAOYSA-N	402.454	5.315	30	20	HKED	
C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	609601112	QUGZAZFSNAIPLA-VWLOTQADSA-N	412.493	5.331	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609730163	PZPCMEUGNUSQSY-UHFFFAOYSA-N	405.885	5.450	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc2ccccc2n1	613291269	YGEUEJYOTJOFKL-QFIPXVFZSA-N	415.452	6.047	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	616139857	BQOZUSFUYAANHF-GOSISDBHSA-N	407.539	5.181	30	20	HKED	
CC(C)c1ccc2ncc(C#N)c(N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c2c1	618584804	LBEODXOQVAOEDJ-HUUCEWRRSA-N	401.354	5.407	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2o1	619753819	QEGQGJKJOBDRHD-LJQANCHMSA-N	404.429	5.171	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)c2ccccc2c1)c1cc(C(F)(F)F)ccn1	645980310	OHXCKBQZLZPGKA-HNNXBMFYSA-N	419.200	5.506	30	20	HKED	
O=C(CCCc1ccc(F)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	674784040	JBDGWFLRKCCLNZ-RYUDHWBXSA-N	417.340	5.313	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1F	678022379	LDXDTGZTUSPPPE-ZNSHCXBVSA-N	418.328	5.235	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccccc3Br)n2C)cc1	726940111	INOZWVXYJNCTHS-UHFFFAOYSA-N	422.326	5.324	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc2cc(F)ccc2s1	730421472	KPDDDMBTJJGEAS-ZDUSSCGKSA-N	423.296	5.778	30	20	HKED	
C#CCOc1cccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1	730976621	VSDVAYHMEWPDJE-UHFFFAOYSA-N	412.367	5.157	30	20	HKED	
CC(C)Oc1ccc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	731040459	UIAZSYLCMXHGEC-KRWDZBQOSA-N	414.596	5.597	30	20	HKED	
Cc1ccccc1[C@@H](O)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	732877957	JUBVABUZDOYGTC-NRFANRHFSA-N	421.884	5.168	30	20	HKED	
C#CC[C@H](OC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccn1	733692370	DPQNBGMRIOKIJM-OZSKJFCKSA-N	413.317	5.440	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C/c2cccc(OC3CCCC3)c2)c1	733775457	VWEUEUDJDURNTK-QZMUEMGWSA-N	404.510	5.019	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(Cl)c2Cl)cc(Br)c1O	734982146	XROBFCGOUJHBDX-AATRIKPKSA-N	402.071	5.366	30	20	HKED	
COC(=O)[C@H](Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1	739998771	IXGJJSHGLXNNFG-JOCHJYFZSA-N	406.869	5.117	30	20	HKED	
Cc1cccc2c(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c12	741430929	NSBVXNRHXIWBJE-HNNXBMFYSA-N	413.424	5.524	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C	743093392	TVKUNIRXUUOSPF-FTJBHMTQSA-N	409.533	6.328	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F	744031983	FXZUTGJLNCHASX-BMGYJQCNSA-N	424.781	5.249	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCSc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	744034666	JTVALBZRRJTVDJ-DLBZAZTESA-N	410.951	5.919	30	20	HKED	
CCCN(C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@H]1CCc2ccccc21	752298313	CGZSKCYNFALOFX-NRFANRHFSA-N	406.486	5.058	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)n1	752487401	IOHKTXLVDIIPSN-LJQANCHMSA-N	418.518	5.141	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	756916680	GXJGFBBQBVVYOA-UHFFFAOYSA-N	401.422	5.090	30	20	HKED	
N#CC1(C(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)CCC1	757565366	AOICBEJSYQUMFZ-UHFFFAOYSA-N	406.230	5.103	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3ccc(Cl)cc3C2=O)cs1	761207816	ZBCMSXOHSXUAQQ-BOPFTXTBSA-N	422.937	6.002	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2SC(C)C)ccc1OC	761681681	GQWABEBEKZVJEE-QGZVFWFLSA-N	413.543	5.198	30	20	HKED	
Sc1nnc(SCc2ccccc2)n1N=Cc1csc(Cl)c1Cl	761777173	GXIRGTCHTWBBIE-UHFFFAOYSA-N	401.369	5.110	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)c2)s1	765272088	VUTIPCIVIBWZLZ-UNMCSNQZSA-N	417.534	5.006	30	20	HKED	
N#C[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1cccc(Cl)c1Cl	768137566	MUBQOCZRIFEPPV-LLVKDONJSA-N	408.499	5.948	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C/C(=O)c1ccc(-c2ccncc2)cc1	774130197	KPIJZZHJEQRXQO-ZHACJKMWSA-N	411.910	5.092	30	20	HKED	
N#C[C@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1nccc2ccccc12	774271656	STOGLTDUDZYPHN-LJQANCHMSA-N	421.294	5.227	30	20	HKED	
C#CC[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1	775401302	RQOVFSXNHVTBSM-JOCHJYFZSA-N	403.551	5.299	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cccc(Br)n3)s2)cc1	777916696	PMEHGJWEYWMCTF-DHZHZOJOSA-N	415.312	5.181	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	780305555	LUNUKOUKZVIRKH-JOCHJYFZSA-N	405.457	5.171	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccco3)cc2F)ccc1OC	786488183	QRRMZTNDOGNQFE-QGZVFWFLSA-N	423.444	5.097	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cncs1	787171972	RIDOLCRNOCHZMC-DAXSKMNVSA-N	403.290	5.598	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc2ccccc2c(Cl)n1	789939100	GQHXGNHLUIXBNG-UHFFFAOYSA-N	422.941	5.537	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1	794822283	BFTQGUITMWESAI-MNNVXMFVSA-N	416.915	5.274	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1NC(=O)c1ccccc1	796673244	QYLZDZXKIUSBQH-UGKGYDQZSA-N	412.489	5.631	30	20	HKED	
N#Cc1ccc(NNC(=S)Nc2ccc(SC(F)F)cc2)c(C(F)(F)F)c1	799509939	WBDHKANSNSGLLJ-UHFFFAOYSA-N	418.416	5.205	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccccc1CC	802707908	CABJHQRVULNCRB-UHFFFAOYSA-O	408.374	5.220	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(F)c3ccccc23)c1	806806609	DRGLYSBLURNWQA-FUHWJXTLSA-N	405.473	5.220	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1	815009725	BNNPEAZNQAWENV-QYYDGCESSA-N	418.537	5.035	30	20	HKED	
CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	857436148	RQXGNLPPMPDWTK-HNNXBMFYSA-N	409.301	5.273	30	20	HKED	
C=CCCC[C@@H](c1ccccc1)c1nc(Cc2coc(-c3ccc(OC)cc3)n2)no1	904326280	ZAXLXGDQBHFISD-QFIPXVFZSA-N	415.493	5.812	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1	915086074	GCDIRCDMZGSBLP-FQEVSTJZSA-N	414.490	5.025	30	20	HKED	
Cc1noc(C)c1CCC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	915102708	DOXXPPZJSPOGHB-UVLALUNPSA-N	409.555	5.025	30	20	HKED	
C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915359373	QVYWAEBRFFDHBC-VGSWGCGISA-N	403.913	5.748	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3ccccc3)cc2)c1	916899856	WRVZMRVUMSHBCX-JOCHJYFZSA-N	400.503	5.249	30	20	HKED	
C[C@@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	916919376	WXDZTTKHSQUUET-PBHICJAKSA-N	408.910	5.321	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1Br)c1nc2cc(Cl)ccc2s1	917047502	YVSKQNIBJFVKPJ-CYBMUJFWSA-N	419.731	5.521	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(F)F	917142525	GRZZWTFQZDGEPT-GORDUTHDSA-N	419.168	5.233	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(F)c(Br)c2)cc1	917515261	QGZXFAITJJXUPU-LJQANCHMSA-N	423.285	5.425	30	20	HKED	
Sc1nnc(SCc2ccccc2)n1N=Cc1cc(-c2ccccc2)cs1	917542731	OECSREUJKABUFJ-UHFFFAOYSA-N	408.577	5.470	30	20	HKED	
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	918487461	NJUMFOGQVWAZKK-CQSZACIVSA-N	421.349	5.493	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(C(F)(F)F)cc1	920113417	WISYJNYAJWAHKQ-NHYWBVRUSA-N	422.859	6.339	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cccc(-c4ccccc4)n3)cc2)CCC1	1788712814	HGFHTIHDVFQOBF-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1	1790072238	ZQPCZMYCIXGYHP-MRXNPFEDSA-N	419.500	5.267	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1	32618306	VAAMFWOKGZDOEE-UHFFFAOYSA-N	411.436	5.292	30	20	HKED	
CN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161503	YCRRHYNNHLNYRU-UHFFFAOYSA-N	419.912	5.649	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccncc3)cc2Cl)cc1	56750854	DWKUKCQCZBECKP-OAQYLSRUSA-N	418.884	5.768	30	20	HKED	
C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1	59420534	JOZBCEALJUIVJN-AWEZNQCLSA-N	404.401	5.031	30	20	HKED	
CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(C)C)cc1	61963993	YNXKRWWXRPIRTF-NRFANRHFSA-N	411.933	5.006	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1Cl	63338041	SSJJCVCOOYHFJM-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(\S)Nc1ccc2c(c1)CCC2	63440840	KMMNZPWKBZNACP-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
CCCCCn1c(SCCCCC#N)nc2ccc(Br)cc2c1=O	195565379	IUILAHDDKIDQPG-UHFFFAOYSA-N	408.365	5.135	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1cccc(C)c1	195696057	LBXDWTDRJWMPPN-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1	430605306	SBZOZBSADOHINE-KRWDZBQOSA-N	409.511	5.115	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1OCCc2sccc21	432799353	BLOKFQVYZPPDLI-QRQCRPRQSA-N	419.506	5.236	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1occc1Br	433722272	BMTUCTBFBLXCRB-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
Fc1ccc(F)c([C@@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)C(F)F)c1	434667959	ZLNJFVCIQQCZKZ-MRXNPFEDSA-N	418.312	5.735	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1cc(OC)c(OC)cc1SC)c1ccccc1	435100646	IMYODJXHNPJXRN-IBGZPJMESA-N	414.571	5.275	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCC2CCCC2)CC1	435133970	UQHYHNGAFYOAMV-QGZVFWFLSA-N	401.576	5.141	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1	435655261	NTDJMZXGHVZCJQ-QHCPKHFHSA-N	405.542	5.071	30	20	HKED	
COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	438061285	ZBLBEYQLHCBYRH-HNNXBMFYSA-N	411.527	5.175	30	20	HKED	
C[C@@H](Cc1nnc(SCc2ccc(C#N)cc2OC(F)F)o1)c1ccccc1	439543832	RSHLWROUONMWSG-ZDUSSCGKSA-N	401.438	5.181	30	20	HKED	
C=CCC[C@H](NC(=O)Cc1c(C)nn(C(F)F)c1C)c1ccc(C(F)(F)F)cc1	441543587	NTMPJDDVBSDFHA-KRWDZBQOSA-N	415.406	5.280	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1c(Cl)cccc1Oc1ccccc1Cl	443861849	XVBBNWKWOXJMGQ-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2ccco2)cc1F	447984229	XDVPULIEKKASMW-OAHLLOKOSA-N	409.486	5.659	30	20	HKED	
N#Cc1cnc2ccccc2c1N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1	462829013	VJEQNEBKMXCPDN-LJQANCHMSA-N	402.256	5.130	30	20	HKED	
C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)[C@H](C)c1cccc(C#N)c1	463396802	MXGWLSRLYBBEGQ-IXDOHACOSA-N	423.944	5.357	30	20	HKED	
COc1ccc(-c2nc(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)c(OC)c1	464810141	DKVJZOFXPAXDBO-FCHUYYIVSA-N	419.550	5.099	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCCCC2)no1	465260213	GEYXQAGHGNADCC-HNNXBMFYSA-N	413.547	5.001	30	20	HKED	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ncccc1OCCCC#N	466604471	OSFSHGCSKMDSIV-UHFFFAOYSA-N	407.301	5.125	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(c2cccc(Br)c2)CC1)c1ccccc1	466786050	DISQSHUSGWBKDH-HXUWFJFHSA-N	411.343	5.243	30	20	HKED	
Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	472033665	QNDXFDVRKZSCOE-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1	472117504	JHYJDHSMVBZMAG-BXTJHSDWSA-N	401.432	5.269	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1	473666330	XVCVKPDBISBBTL-UHFFFAOYSA-N	422.916	5.297	30	20	HKED	
CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)n1	475954862	KIYRGPJTWDXVLO-UHFFFAOYSA-N	402.376	5.041	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cnc1C(F)(F)F	477156911	BCJPCRXGYXADCC-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1	477540671	IRSOLHZCLWFLMI-UHFFFAOYSA-N	404.432	5.144	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2ccc(Br)cc2)o1	479226499	RAEXOCIXUGIFML-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H](C1CCCCC1)C2	483849065	MDBLUEYLAYNTEK-XMMPIXPASA-N	403.526	5.300	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCN(C)C)Cc1cccc(OC)c1	484653496	MTFFHUVSPFQRIA-UHFFFAOYSA-N	409.574	5.143	30	20	HKED	
N#C[C@@H](NC(=O)c1c(F)ccc(Br)c1F)c1c(Cl)cccc1Cl	486425213	MGMUTNZVDYRFPF-LLVKDONJSA-N	420.040	5.029	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1)C(F)(F)F	486528817	HSTCPAYYVHUTHM-GOEBONIOSA-N	407.461	5.406	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	489809145	IDEWWPJPNYMKFV-UHFFFAOYSA-N	403.847	5.155	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nnc(-c3ccc(Cl)s3)o2)c1	491910735	JAGQBDKSICJNHH-UHFFFAOYSA-N	412.721	5.378	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1	498731146	RVYMFYYSGVYIRE-RPWUZVMVSA-N	424.589	5.028	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	498916643	KTYIGRFYSZBERA-UHFFFAOYSA-N	413.521	5.510	30	20	HKED	
C=CCN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1	499167612	HXPVXZPKKJKRNX-UHFFFAOYSA-N	419.481	5.366	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1	502295514	WODLWUCSJLUWHC-UHFFFAOYSA-N	400.438	5.538	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@@H]1CCCc1ccccc1	502368835	GQYCUMWPVIKMLR-HSZRJFAPSA-N	417.553	5.071	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1	504625668	GWMMVRJUODNCFL-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
C=CCn1c(SCC2CCC(=O)CC2)nc2scc(-c3cccs3)c2c1=O	505442953	AJRJGNGEZPWEKK-UHFFFAOYSA-N	416.593	5.224	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2)cc1	505639013	PBZFOJLROCPRGA-JOCHJYFZSA-N	401.853	5.193	30	20	HKED	
COc1ccc(CCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	505709599	SCBTYTDDSVBRFU-UHFFFAOYSA-N	416.477	5.329	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1	505909063	DCLXIRSESXIZQT-XMMPIXPASA-N	401.485	5.409	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)sc2ccc(C#N)cc12	507155798	QHBDPMJECBKUFA-UHFFFAOYSA-N	408.498	5.042	30	20	HKED	
CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C#N)cc1	510425357	QHRPICVNYLLKFE-UHFFFAOYSA-N	401.853	5.542	30	20	HKED	
CCN(CC)C(=O)c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1	512624015	WALUQMAHTRYMNY-UHFFFAOYSA-N	413.521	5.231	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1	512762852	GPZJFKDTVKIJMQ-MRXNPFEDSA-N	417.534	5.438	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc2c(s1)CCCC2	512967802	SZZLVNMUHQIYKA-UHFFFAOYSA-N	422.000	5.693	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2)nc2ccccc21	513660611	MYXYZRVGDNYXJY-LJQANCHMSA-N	421.456	5.389	30	20	HKED	
N#CCCCOc1cccc(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1	513762851	TWZVFSRVGBAULH-QFIPXVFZSA-N	402.498	5.146	30	20	HKED	
CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[C@@H](C#N)CCC#N	514317423	MHNJRQCSDXZRTN-LJQANCHMSA-N	417.944	5.127	30	20	HKED	
N#Cc1cc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)ccc1Cl	519033796	XEBJNLVQMYDBMI-UHFFFAOYSA-N	410.798	5.331	30	20	HKED	
Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	519558714	LVUHMDKUFOWBJP-UGKGYDQZSA-N	407.583	6.539	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1	520827581	OHYAMRMDQLWCBU-KBPBESRZSA-N	419.344	5.107	30	20	HKED	
CCO[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1	521734517	QMPBPPVQSNCXAI-GOSISDBHSA-N	408.445	5.427	30	20	HKED	
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1F	521797796	VDPRSNKSDGZPNW-HNNXBMFYSA-N	424.501	5.150	30	20	HKED	
CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	523124000	MTPBAGKWBODZGT-UHFFFAOYSA-N	412.493	5.036	30	20	HKED	
N#Cc1c(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)sc2c1-c1ccccc1CC2	524248016	OAURISZWRROUAB-UHFFFAOYSA-N	417.921	5.701	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(-n2nccc2C(F)(F)F)c1	524389253	YNJLFJZLDSIUCW-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CN(C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1cc(Cl)ccc1C#N	535969400	NUPNDFGILCGRIW-UHFFFAOYSA-N	417.612	5.270	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N	536737614	OITDXJFRMPIEKL-SIFCLUCFSA-N	401.507	5.118	30	20	HKED	
CCC[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1F	539325617	OJYKZDRWVFHKLB-HNAYVOBHSA-N	417.525	5.429	30	20	HKED	
N#Cc1cccc(CSCc2nc(-c3cc(Br)cs3)no2)c1F	540349799	ANCBDFAHDRSQEW-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)CSc2cccc(Cl)c2C#N)cc1	541172708	CQLTXSARWHWLIX-LJQANCHMSA-N	400.931	5.066	30	20	HKED	
CC(C)c1ccc(-c2ncc(CS(=O)(=O)Cc3ccc(CC#N)cc3)s2)cc1	541290333	MMUFBLKDMBYFGP-UHFFFAOYSA-N	410.564	5.115	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1COC(C)(C)CC	541790444	XVJBIIRTIQZKNT-UHFFFAOYSA-N	411.502	5.520	30	20	HKED	
CCCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(F)cc1	542971544	QCDOUNMIDXNLJP-MRXNPFEDSA-N	422.529	5.468	30	20	HKED	
C[C@@H](NC(=O)N1CCC(CCCN(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543017853	PNEVBJBHCHPDOR-HXUWFJFHSA-N	418.585	5.050	30	20	HKED	
C=C(C)[C@H](Cc1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1)OCC	545761505	CGLFTPDIXRXBBP-KRWDZBQOSA-N	419.403	5.466	30	20	HKED	
C[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	548162431	ZDPLYLLUAYQIOC-IBGZPJMESA-N	411.505	5.483	30	20	HKED	
C=C(C)Cn1c(-c2sccc2C)nnc1N(C)Cc1csc([C@H](C)OCC)n1	549271783	SCTKGVZGEPEXMI-HNNXBMFYSA-N	417.604	5.082	30	20	HKED	
COc1ccc(CN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)C2CC2)c(OC)c1	555186301	RHADQZKHQSOWCJ-FDDCHVKYSA-N	421.541	5.059	30	20	HKED	
CC(=O)c1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	557459642	MVUPJOLQGOLVEP-UHFFFAOYSA-N	423.284	5.083	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1	560811182	HNBXOKMVIHBEFK-LJQANCHMSA-N	422.834	5.128	30	20	HKED	
CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	561355929	RDUQKDIANBDKHZ-UHFFFAOYSA-N	415.493	5.156	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3cc(C#N)c4ccccc4n3)c3c(C)noc3n2)c(C)o1	561841115	SZMXBOOQZAUVHA-UHFFFAOYSA-N	423.432	5.080	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc([C@@H]2CCOC2)cc1	569879593	ZFTZUWYHVHTGOC-LJQANCHMSA-N	400.503	5.466	30	20	HKED	
Cc1ccc(Cl)c2sc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)nc12	569880754	OCVIVGDFYIZCOA-UHFFFAOYSA-N	421.913	5.288	30	20	HKED	
C=C[C@H](CC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1ccccc1	581448664	MCPDTOQRGMTARL-QGZVFWFLSA-N	401.909	5.047	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccs3)o2)nnc1-c1ccccc1OC	597137779	TVTCXWUDYURBGJ-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1Cl	603673385	NPMPNYWVTFPFQC-KRWDZBQOSA-N	415.802	5.662	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCSc4ccc(F)cc43)cn2)cc1	603691042	WTUMFRBYIJBCLG-IBGZPJMESA-N	420.469	5.243	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sccc1-c1ccccc1	608876502	OMBJGRZVXMNCBZ-UHFFFAOYSA-N	411.486	6.035	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056698	FBERGBUSPLNPRI-KRWDZBQOSA-N	404.466	5.008	30	20	HKED	
N#C[C@@H](NC(=O)CCSc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1	609172068	NZMVWOCZMLRGIU-HSZRJFAPSA-N	420.509	5.268	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)ccc3N3CCCCC3)cc2)nc1	609503561	CXKXCBNPIPGXLE-UHFFFAOYSA-N	416.456	5.127	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H]1OCCc2ccccc21	609644112	WXLKEMWPBZALCW-RUZDIDTESA-N	412.489	5.088	30	20	HKED	
N#CCn1c(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc2ccccc21	609756172	YNRJNSPJAGPCLA-UHFFFAOYSA-N	412.405	5.118	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N(CC(F)(F)F)c2ccccc2)c1	609786373	SAJQBKHOEIGZJS-UHFFFAOYSA-N	410.395	5.346	30	20	HKED	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	609976384	LANFZEULAOOGFI-QUCCMNQESA-N	400.478	5.057	30	20	HKED	
O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F	610273321	VJBWWBWMKGDAGR-MBTKJCJQSA-N	422.272	5.518	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccccc3Cl)cn2)c1	610665679	DMWDRBDSKPCMGJ-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#Cc1ccc(CNCc2cc(Br)cc(C(F)(F)F)c2)cc1Cl	619749066	ZEZZPPMFKSXFNU-UHFFFAOYSA-N	403.629	5.283	30	20	HKED	
Cc1cccc(-c2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)c1	619863585	BJRRGNFNWYUNPU-FQEVSTJZSA-N	420.925	5.905	30	20	HKED	
Cc1cccc(-c2nnc(S[C@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)c1	619863586	BJRRGNFNWYUNPU-HXUWFJFHSA-N	420.925	5.905	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1	678165558	RKMIQUJMNCNRBT-NRFANRHFSA-N	417.475	5.697	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1	680099967	VTMDUWWIXJWOMN-AZUAARDMSA-N	410.480	5.171	30	20	HKED	
Cc1nc2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)ccc2n1Cc1ccsc1	682670395	RVHXCWGJAOKUFX-FQEVSTJZSA-N	422.513	5.493	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cc1NC(C)=O	726428101	FBSWZZBEBICOAM-CSKARUKUSA-N	418.474	5.419	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccccc2CC)c1	726572775	NTNVDXQGZOHUFB-UHFFFAOYSA-O	419.957	5.495	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cccc(O[C@@H](C)C(=O)O)c2)CC3)cc1	727654268	KHDPAMHRCJBRNB-BRYHAGSVSA-N	419.502	5.183	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1cnc2c(c1)c(C)nn2C	727655324	VOZPPFXETMOIKJ-RUDMXATFSA-N	408.914	5.258	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C	728063050	UNECTQXFJUVJOZ-GOSISDBHSA-N	417.484	5.332	30	20	HKED	
CC(C)c1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	730954676	HBLFOVAINKBBNE-UHFFFAOYSA-N	423.529	6.643	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccc2ccccc2c1	731542044	RUWOBSRFTOPMBU-KKSFZXQISA-N	405.523	5.089	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)cc1F	732434602	CXJFIWGTGPAAFA-LBPRGKRZSA-N	422.323	5.304	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](c3ccccc3)C[C@@H]2C)c1=S	734477171	LWPYXUFWGLLAKB-AZUAARDMSA-N	420.582	5.111	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)c2cccc(Oc3cnccn3)c2)cc1	736925819	WDHIXNFWMWHWCU-UHFFFAOYSA-N	407.429	5.165	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1scnc1C)C(=O)c1ccccc1	742431273	GHZKIQPGAMHYJR-ZHZULCJRSA-N	404.535	5.481	30	20	HKED	
O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccc(OCC(F)(F)F)cc1	743057081	PRPDDIGMMDTPAW-KMKOMSMNSA-N	400.356	5.106	30	20	HKED	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	748943659	XGAWEJCGIVIEQK-RPBOFIJWSA-N	413.521	5.238	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cccc(Cl)c1	749103452	ZPBMXZWONSUDAH-UHFFFAOYSA-N	413.743	5.627	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(C)s1	749179888	VURQQQFYNIXOAD-ZDUSSCGKSA-N	411.340	5.417	30	20	HKED	
C=CCC[C@H](NC(=O)NCCCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1	749838547	HSQSGGQURNYVII-IBGZPJMESA-N	409.452	5.250	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	752183730	GYAQTPTXBVVHNA-HBGVWJBISA-N	405.523	5.037	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2ccc(Cl)c(Cl)c2)c1	753533247	NKOMPNASWYJZMM-KRWDZBQOSA-N	419.308	5.062	30	20	HKED	
COc1ccc(C(C)(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	757598631	OKXDKAWNIVKSNN-QFIPXVFZSA-N	414.505	5.276	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1	759049555	HTIQIPATQHNBIU-UHFFFAOYSA-O	420.385	5.012	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)NCCc2ccc(Cl)nc2)cc1Cl	761491929	LRGCZARRFQXRIQ-UHFFFAOYSA-N	412.276	5.025	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(-c4ncco4)cc3)c2)s1	767129800	WSVNYNOWKQTWBS-UHFFFAOYSA-N	400.463	5.263	30	20	HKED	
Cc1cc2nc(-c3ccccc3)cc(C(=O)Nc3cc(C)n(CCC#N)n3)c2cc1C	768047503	DIMVJPZJFIDLLD-UHFFFAOYSA-N	409.493	5.190	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c(C#N)s1	774164225	PNSWANWHVDGCHK-UHFFFAOYSA-N	415.515	5.344	30	20	HKED	
COC[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nccs1	774676476	ULEDVRLCJARPLL-SFHVURJKSA-N	414.870	5.005	30	20	HKED	
C=CCC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1	775554194	VJIFCWPVFDJUAJ-QFIPXVFZSA-N	416.487	5.739	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C	780670225	JTAOAHLWVDXORN-STQMWFEESA-N	404.297	5.435	30	20	HKED	
C=CCn1c(SCc2nc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1	785027761	USEPDNYBBQTKQB-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@@H](C#N)c2nccc3ccccc23)c1	792089865	ATLOHPPRFVLBTA-HXUWFJFHSA-N	401.466	5.001	30	20	HKED	
COc1cccc(-c2nc(/C=C/C(=O)c3nc(Br)ccc3F)cs2)c1	794968289	AXKQSFSIDNNGDH-FNORWQNLSA-N	419.275	5.011	30	20	HKED	
C=CC[C@@H](OC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc(Cl)c(Cl)c1	797552577	DSQRNZFVQUCLNH-MRXNPFEDSA-N	408.310	5.325	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)s1	797568630	UKIVOOIHGQKMKR-OAHLLOKOSA-N	415.971	5.636	30	20	HKED	
CC(C)(O)c1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	806316728	ZGTHTCIFKFAIMN-UHFFFAOYSA-N	405.429	5.361	30	20	HKED	
Cc1cccnc1C(F)(F)C(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809325572	AJABTRHJUGYRLZ-ZDUSSCGKSA-N	413.264	5.347	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nc(-c2ccccc2)cs1	810534278	METWTLHLUUIHSC-DLBZAZTESA-N	407.926	5.166	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(Cc2cccs2)C2CC2)c1=S	914569644	MCRAIDPYQHPQEN-UHFFFAOYSA-N	400.548	5.090	30	20	HKED	
Clc1ccc(CNN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(Cl)c1	914696333	BTUGRMUPZPATEA-UHFFFAOYSA-N	422.319	5.365	30	20	HKED	
CN(Cc1ccc(Br)o1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915354251	YIPNJWHTGULHCB-IBGZPJMESA-N	424.298	5.361	30	20	HKED	
Cc1cccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c(Cl)c12	916910163	FSEKYGOXFWGUEX-LLVKDONJSA-N	403.290	5.478	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1coc2cc(C)c(C(C)C)cc12	916923153	LJMXSQLTJMALPI-FQEVSTJZSA-N	418.493	5.153	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccs3)n2)cc1	916950180	RYOLZIRPAMPNDE-KSSFIOAISA-N	423.563	5.275	30	20	HKED	
Cc1cc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1Cl	917047163	SFJWTYXNYBIUSP-SMDDNHRTSA-N	405.306	5.555	30	20	HKED	
CC(C)(C)c1ccc([C@H]2CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	917143554	KHKLICVXBWCPQC-FYYLOGMGSA-N	424.548	5.358	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1	919904629	QHGQNCCXFACNGZ-BJKOFHAPSA-N	415.493	5.148	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)COc2cccc(C#N)c2)cc1Cl)c1ccccc1	920767748	DFSCQIFIPYVAQE-MRXNPFEDSA-N	405.885	5.402	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1	920807012	VNPQMEDBMOMZIC-CQSZACIVSA-N	402.853	5.551	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)C1	1804860074	WBAQIEGWFYTMRR-IBGZPJMESA-N	424.576	5.036	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830750694	JARVKQZQAMMWJW-CYFREDJKSA-N	408.586	5.010	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831376660	QMXQSDQCEVPAFC-PRTQVNTJSA-N	402.623	5.035	30	20	HKED	
C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1	1831576936	JJDFZVCUVKDUBW-QHCPKHFHSA-N	416.650	5.406	30	20	HKED	
C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1	1832828344	IRHUIYIVAFNDTR-JOCHJYFZSA-N	402.623	5.016	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1	10170839	RANQOAZGGQOVOS-UHFFFAOYSA-O	423.627	6.001	30	20	HKED	
Cc1ccc(Nc2nnc(SCC(=O)c3ccc(C#N)cc3)s2)cc1Cl	16325631	WVFZKUCNLNHUBL-UHFFFAOYSA-N	400.916	5.090	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(F)cc1	17704964	FKTOTCGTSFIUHP-GFCCVEGCSA-N	413.503	5.235	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1ccccc1OC	26037846	NATSJCFIEGNYIG-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
N#C[C@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc(-c2ccccc2)cs1	41521952	MHMHCCMQXJAHAT-QGZVFWFLSA-N	401.516	5.347	30	20	HKED	
C=CCOc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1	65749483	CEDYJPFFQOQDKA-UHFFFAOYSA-N	417.292	5.785	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)c2)cc1	97547940	YQYBUDZSLMQHPS-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(Br)ccc2Cl)cc1	104796867	YRPWMYDHLANGSN-UHFFFAOYSA-N	407.695	5.062	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2oc3ccccc3c2CSc2ncccn2)c1	112531657	JOFBBBZSVAVZMM-UHFFFAOYSA-N	413.502	5.163	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cc(Cl)ccc2OCc2cccnc2)cc1	237764427	XCNDTRFATJZSPN-UHFFFAOYSA-N	422.916	5.234	30	20	HKED	
COc1cc([C@@H](C)Nc2ccc3cc(C#N)ccc3n2)ccc1OCc1ccncc1	301984437	SCTMQRNTWVBVNH-QGZVFWFLSA-N	410.477	5.262	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN1c1ccccc1	426520786	GMFFIOUPLVXQAL-VWLOTQADSA-N	411.505	5.053	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3c(C)ccnc3[nH]2)sc1-c1cccc(Cl)c1	429577897	KZBZVEPHVVHBCF-OAHLLOKOSA-N	406.898	5.447	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1	438838712	DFMSXKBUOVMNTF-UZLBHIALSA-N	422.529	5.663	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)N[C@H](CCC#N)c3ccccc3)cc2)cs1	438856698	LNWYOSMNGJOACM-HRAATJIYSA-N	404.539	5.524	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCSCc1ccc(C#N)cc1OC(F)F	439542409	ANBKUXJNYUXXDO-UHFFFAOYSA-N	404.482	5.429	30	20	HKED	
C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Oc2cccc(C#N)c2)CC1	443635730	YQLISDOSSCBCFP-MRXNPFEDSA-N	407.901	5.471	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c2ccccc21	444033198	QTUKQNQVKIDRHU-UHFFFAOYSA-N	418.497	5.384	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3noc(-c4ccccc4)n3)o2)cc1	446063438	YJAVLJIROCCURI-AWEZNQCLSA-N	406.467	5.205	30	20	HKED	
CO[C@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1	460319979	QPMHLQRCVAABPP-JOCHJYFZSA-N	406.869	5.121	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccs1	460371405	UYFPWZDPZSFSFS-VWPQPMDRSA-N	420.582	5.502	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCc2sccc2[C@@H]1CC	460790793	CYOSDBRVLXPALH-FQEVSTJZSA-N	408.571	5.146	30	20	HKED	
CCCCCSc1nc2ccccc2n1Cc1nnc(-c2cccc(C#N)c2)o1	462562759	NOXBRIBFBNPEKB-UHFFFAOYSA-N	403.511	5.289	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1cc(C(F)(F)F)ccn1	464471051	XKCIHRBJYNGHQT-HXUWFJFHSA-N	419.406	5.593	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl	464826578	ZKQOIFJWRSZOHT-QAPCUYQASA-N	422.743	5.357	30	20	HKED	
COCc1c(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)sc2cccc(F)c12	464937019	DKTXJKSIJXEYGB-VQIMIIECSA-N	408.498	5.099	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1	467700447	KSTJXKGTHBKQMR-SECBINFHSA-N	415.334	5.593	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CCC(F)(F)F)CC(F)(F)F	468520631	AJBWPWGEUVVIGA-UHFFFAOYSA-N	414.346	5.215	30	20	HKED	
CC(C)C[C@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	469508250	ISFZIOCMFFCBMJ-OAQYLSRUSA-N	405.542	5.622	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(c2ncccc2Cl)CC1	469956476	GRSBGAPBRUKPEL-UHFFFAOYSA-N	424.850	5.338	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1	470947715	JMYACNFNIZKXBO-HXUWFJFHSA-N	415.880	5.112	30	20	HKED	
Cc1ccc([C@@H]2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c(C)c1	471001549	QDJXZNLMCKBDFG-WOJBJXKFSA-N	407.583	5.126	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1	471615537	UZVDCOTYBQHJIE-UHFFFAOYSA-N	417.509	5.170	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2cc3cccc(F)c3o2)cc1	473877487	OZDPBFMVVKWCBO-MRXNPFEDSA-N	421.472	5.269	30	20	HKED	
O=C(CSCC(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474272101	KEMBUUKDFHPEBV-SNVBAGLBSA-N	413.305	5.111	30	20	HKED	
Cc1ccc([C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccccn2)cc1	475336191	JLWHNIRPNBKCKJ-NDEPHWFRSA-N	419.528	5.720	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccccn1)c1ccccc1OC	475551724	YMOROEAWGTUAFR-VWLOTQADSA-N	415.537	5.853	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1	476068807	YLZMVDJXABTFAP-LGGPFLRQSA-N	402.519	5.020	30	20	HKED	
N#CCCCOc1cccc(/C=C/c2nc(O)c3cc(Br)sc3n2)c1	480041904	YUVUSUFAUAZWOR-VOTSOKGWSA-N	416.300	5.012	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[C@@H]1C(F)(F)F	482022846	UQVQKLBMDRVIOR-FQEVSTJZSA-N	416.443	5.188	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)Oc1ccccc1Cl	483338599	INUZKTUHJPWKOL-GJZGRUSLSA-N	403.935	5.181	30	20	HKED	
C[C@@H](SCc1ncnn1CC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	485585635	REWAYFJQJDDTCH-MRVPVSSYSA-N	419.341	5.575	30	20	HKED	
C[C@@H]1CC[C@@H](N(CCO)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	486232908	PDPACBVEXKRTFP-BSIFCXSSSA-N	411.933	5.010	30	20	HKED	
Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)oc2c(Cl)cccc12	487289765	MMBIDXWISIIRDN-UHFFFAOYSA-N	407.882	5.566	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(Cc1ccccc1)c1ccccc1	487382648	VXQMNJJNPIFYLW-FQEVSTJZSA-N	415.562	5.726	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c(F)cccc1F	488245506	BGZXIXVMLICYNE-INIZCTEOSA-N	406.432	5.352	30	20	HKED	
CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1-c1ccccc1C#N	491031615	ZAPSTQSJGINSGM-QHCPKHFHSA-N	423.560	5.209	30	20	HKED	
CCC[C@@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N	499058713	XOLCGVIAABOKPU-KXBFYZLASA-N	413.509	5.074	30	20	HKED	
CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Cc1ccc(C#N)cc1	500997293	SEGASKQLKRNESS-UHFFFAOYSA-N	412.411	5.428	30	20	HKED	
N#C[C@H](C(=O)c1nccc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	503522783	XAXYICZHIGGCGI-MRXNPFEDSA-N	424.312	6.155	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505855515	PVBMDRVSLZCSRA-UHFFFAOYSA-N	423.410	5.473	30	20	HKED	
CCc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2c(C(C)C)noc2n1	509478875	XFCWGGKFJAGYRQ-CQSZACIVSA-N	408.527	5.413	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1	513403414	UEGFQLMUKCRTAT-UHFFFAOYSA-N	419.484	5.375	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccc(F)c1)C(C)C	513877496	ZRCIZEBXOVVSGW-UHFFFAOYSA-N	417.484	6.241	30	20	HKED	
N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(-c4cccs4)c3)CC2)cc1	513972256	ZHGKFLJSINSXEJ-UHFFFAOYSA-N	416.550	5.027	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1	515790214	FHFJIPLHIMVDNC-QGZVFWFLSA-N	421.566	5.586	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc1	516511321	RCCNLOSBUDSNGC-UHFFFAOYSA-N	401.388	5.284	30	20	HKED	
COc1ccc(NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl	517159312	SXXZGLKTLKRVSF-UHFFFAOYSA-N	407.857	5.063	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccccc4)s3)n2)cc1	517800692	BMGRRTSLORIMKQ-KRWDZBQOSA-N	417.515	5.432	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(Cl)c(Cl)c1	518849182	RBFFWMYKXQBGRK-SFHVURJKSA-N	419.239	5.299	30	20	HKED	
C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)C(c1ccccc1)c1ccccc1	520322295	IGUCYJQDFDDERY-OAQYLSRUSA-N	412.533	5.444	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2	521798035	ZBMJBIXRGGDVHJ-INIZCTEOSA-N	402.523	5.008	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)c2)cc1	523156209	IMPDUQNOOMJFJA-DEOSSOPVSA-N	413.477	5.112	30	20	HKED	
CC[C@](C)(C#N)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	523671096	KAYYHGKTUAUZTF-HXUWFJFHSA-N	407.297	5.003	30	20	HKED	
CC(C)Oc1cccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	524387731	TZKYOFWYKXVJMN-UHFFFAOYSA-N	400.478	5.106	30	20	HKED	
CCCCn1ccnc1-c1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1	532895409	DTBUUJWKQUSRAI-UHFFFAOYSA-N	424.552	5.739	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1ccccc1NC(C)=O)c1ccc(C(F)(F)F)cc1	533075868	RUWBKXYYCIBQSO-LJQANCHMSA-N	419.447	5.171	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCc2ccccc21	533256618	YXUNGFUQCZAYKV-XMSQKQJNSA-N	407.583	5.276	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1Cl	533466224	BWVJLDRJDZGAHV-HOYKHHGWSA-N	415.961	5.320	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCC(F)(F)CC2)cc1	534887300	KOABYZAOIDZCPP-UHFFFAOYSA-N	401.413	5.059	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2ccccc2cc1OC(F)F	534905830	SARXJYDGPORCAY-CQSZACIVSA-N	412.461	5.945	30	20	HKED	
Cc1ccccc1-c1noc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542018479	YFPXFMLRSFLHLK-MOPGFXCFSA-N	408.505	5.996	30	20	HKED	
Cc1ccccc1-c1noc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542018481	YFPXFMLRSFLHLK-RBUKOAKNSA-N	408.505	5.996	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H](C)c1nccs1	549677662	ZWCRMUYPMNXLMA-INIZCTEOSA-N	418.570	5.074	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	553121083	LBJIUPRCWYRXBK-RBUKOAKNSA-N	405.464	5.191	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1	558382453	ZIUZKTZGARNNJI-INIZCTEOSA-N	402.498	5.232	30	20	HKED	
C=CCn1c(SCc2c(C)cc(C)nc2OCc2ccccc2)nnc1C1CC1	561435011	PWUZATGEFMBJPF-UHFFFAOYSA-N	406.555	5.225	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccccc2OC)cc1	562044693	MPXHLMXGMJRTEF-UHFFFAOYSA-N	422.481	5.183	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl	562168502	NMTNVRNBMMCXDO-UHFFFAOYSA-N	402.800	5.054	30	20	HKED	
Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	564432962	TVMACSQPBMBVIG-GOSISDBHSA-N	400.482	5.149	30	20	HKED	
O=C(c1cncc(C(F)(F)F)c1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	569643353	KRKLQLZRJZTYMC-UHFFFAOYSA-N	420.328	5.220	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2)ccn1	581279712	HSZGPXZUGZFPRK-JOCHJYFZSA-N	418.884	5.768	30	20	HKED	
CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCOC(C)(C)C1	583468769	JJZSAAUGHMYWSE-NRFANRHFSA-N	421.541	5.143	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCS[C@H](c4ccccc4)C3)cc2)ccn1	589363306	OCIMJOSIZKHNNK-QFIPXVFZSA-N	416.506	5.068	30	20	HKED	
N#Cc1cc(F)cc(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	600862466	XAMQJJOHURWUKO-UHFFFAOYSA-N	414.267	5.869	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)c(Cl)cc3Cl)s2)cc1	602228479	DCNIDEXZJQRDKG-UHFFFAOYSA-N	406.269	5.304	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCOc1cccc(F)c1	603532922	FXSHWTLZHVPBMC-UHFFFAOYSA-N	406.432	5.147	30	20	HKED	
CCOC(=O)c1sc(NC(=O)CCCOc2cccc3ccccc23)c(C#N)c1C	603728473	FNRYZGBQSITMPG-UHFFFAOYSA-N	422.506	5.056	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCC2)ccc1C	604541403	WLXNDYRXPNZHBI-UHFFFAOYSA-N	413.477	5.123	30	20	HKED	
Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cccc1OCC(F)(F)F	609022411	LIAAOIDBVIDGCH-UHFFFAOYSA-N	410.395	5.727	30	20	HKED	
CC(C)Oc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	609172191	RQUBHDCHWFQBHJ-DEOSSOPVSA-N	400.478	5.047	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(OCc2ccncc2)cc1	609178256	MBWSUEGJJSYTFC-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1-c1ccccc1	609434816	SQTDYWJIDFJHDG-LJQANCHMSA-N	415.562	6.412	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ncoc3-c3ccccc3)cc2F)c1	609558601	PQBIDGCIRHAKBY-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccccc2Br)sc2cccc(F)c12	609590913	NIJIMIYJPYNFMM-CQSZACIVSA-N	403.276	5.106	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N	609866179	UAYNUKPVQDCNGH-HJPURHCSSA-N	404.897	5.385	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C	610321339	QVYRQWPXEIOJII-HSZRJFAPSA-N	412.493	5.731	30	20	HKED	
Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	611187303	DGHOSNWTLYYYSG-HXUWFJFHSA-N	420.900	5.023	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CN[C@H](CCC#N)c2ccccc2)cs1	611407032	VLKYTGIXEAERGU-OAQYLSRUSA-N	424.957	5.616	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc(Cl)c1OCC(C)C	613290833	NTCZDXMNKRWDDZ-KRWDZBQOSA-N	408.885	5.422	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OC1CC1)c1nc2cc(C(F)(F)F)ccc2s1	672581888	OSWQSTIBBMOGQC-CQSZACIVSA-N	402.397	5.346	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H]1c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1	676727399	SZZRIKAYQANQSU-UXHICEINSA-N	420.479	5.301	30	20	HKED	
CC(F)(F)c1cccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	682055551	QCOAOFHKKQQFMH-PHIMTYICSA-N	404.301	5.393	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	682777388	RLMVSORGKJWGHC-JOCHJYFZSA-N	405.586	5.572	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1	726321980	QNFXTYMTGIQGMB-GFCCVEGCSA-N	413.663	5.066	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccccc2)c1	726573118	MFAIAYBZJCEREO-UHFFFAOYSA-O	415.538	5.066	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2ccccc2CC)c1	726573236	SLKGJAZKQFZFOY-UHFFFAOYSA-O	413.566	5.458	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1	726754386	FFOTWVFCBLKSNG-PEZBUJJGSA-N	409.411	5.244	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1	726755223	BURYAZPLLNBQRT-UHFFFAOYSA-N	411.436	5.367	30	20	HKED	
N#Cc1ccc(NC(=S)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1Cl	726906792	FOXJBCLNBBMKJN-UHFFFAOYSA-N	424.932	5.187	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1	727629557	ZRBMUOZEQOSWMO-ZDUSSCGKSA-N	424.831	5.657	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1Cl	727631692	HRMRNVARCCFKFZ-PMXLPMHFSA-N	403.894	5.615	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	728621703	ONKHDVILTWMQDH-UHFFFAOYSA-N	420.387	5.126	30	20	HKED	
Cc1ccccc1C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	730378937	AEFBSTCHYRRBCM-AREMUKBSSA-N	409.533	6.062	30	20	HKED	
CC(C)COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	730396757	WOCNMBRMKUPTMX-NRFANRHFSA-N	415.518	5.136	30	20	HKED	
CCCc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)sc1C	731060920	NHFRCURHVFHJSM-CQSZACIVSA-N	416.568	5.199	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	731287996	MICVXFABZLCAAN-QYZOEREBSA-N	423.299	5.598	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1COc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1	733680083	VCZKMXORJDZNGG-LSDHHAIUSA-N	415.301	5.469	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1	735429781	VHGWADZJHGAGQE-HXUWFJFHSA-N	405.841	5.085	30	20	HKED	
CCN(Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	737022650	ZVLWNZXZHBTQKC-KRWDZBQOSA-N	422.529	5.198	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2occc2s1	737316653	LRUXLTXYFUDCQP-HNNXBMFYSA-N	402.431	5.248	30	20	HKED	
CC[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1	745176786	GOXLOCNYXYHHNV-LLVKDONJSA-N	404.870	5.125	30	20	HKED	
O=C(/C=C\c1cccc(OCc2ccccc2F)c1)c1cccc(N2CCOC2=O)c1	745625729	FIBOQZFLNFMVQW-QXMHVHEDSA-N	417.436	5.257	30	20	HKED	
N#C[C@H](C(=O)CCCOCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	748003591	FMKDFYIEPKMXHQ-LJQANCHMSA-N	410.926	5.637	30	20	HKED	
CC[C@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	749026465	WSRFPLNWYZVVTA-WBMJQRKESA-N	403.816	5.119	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)Nc1ccccc1-c1ccccc1	751007885	QXDHVNVINKYPSC-UHFFFAOYSA-N	403.507	5.647	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1OC(F)F	753399065	DERAWNKOSLOAPV-VWILAXROSA-N	410.445	5.691	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1nc(-c2ccc(Br)cc2)c[nH]1	754712012	FAOZUXUJWUQOHS-UHFFFAOYSA-N	410.193	5.271	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2nc(-c3ccccc3)cs2)cc1	755592002	DKXPERQKDGQBLO-UHFFFAOYSA-N	411.943	5.230	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2ccccc2)s1	756836660	CKYHHIFUOKQPIH-KRWDZBQOSA-N	403.551	5.421	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ncc(-c3ccc(C)cc3)o2)cc1OC	760432174	FCFKXRLHJGLEHA-UHFFFAOYSA-N	400.862	5.261	30	20	HKED	
CC(C)(C)OC(=O)NC[C@H](NCc1cccc(C#N)c1)c1ccc2ccccc2c1	761328599	ABXAWZVCTMFOKI-QHCPKHFHSA-N	401.510	5.067	30	20	HKED	
Cc1nc([C@H](C)ON=Cc2c(Cl)nc3ccccn23)oc1-c1ccc(Cl)cc1	763186314	JSBMVHAWFMETQG-ZDUSSCGKSA-N	415.280	5.716	30	20	HKED	
Cc1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1NC(=O)c1ccccc1F	764614309	RSLCNUMIASUHQP-MRXNPFEDSA-N	402.425	5.176	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Oc1ccc(NC(=O)c2sccc2C)cc1	767957747	ZPWYZJRIOBWWSU-SFHVURJKSA-N	402.516	5.185	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1ccncc1	768366267	WLLHGAQHXGNYCP-RBUKOAKNSA-N	418.310	5.147	30	20	HKED	
O=C1/C(=C/c2ccc(SCc3ccccc3)cc2)CS(=O)(=O)c2ccccc21	771849345	FZVZPINVLDTYPD-XMHGGMMESA-N	406.528	5.033	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1	778217853	KQTDPYKHZYNPCF-HXOBKFHXSA-N	421.541	5.492	30	20	HKED	
COc1ccc([C@H](NCc2cc(C#N)ccc2F)c2ccccc2Cl)cc1OC	779119851	FYPORBFUOAKZHW-QHCPKHFHSA-N	410.876	5.247	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1	779141906	ULASGYVNDXBESW-SIKLNZKXSA-N	424.495	5.259	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1ccc(Cl)c(Cl)c1	779627156	JHCVELBOPPOOID-GFCCVEGCSA-N	408.594	5.055	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3O[C@H](C)C#N)cs2)cc1	780168631	APAHMYCQUFXIDS-MRXNPFEDSA-N	405.523	5.406	30	20	HKED	
CC(C)(C)Sc1ccc(-c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)cn1	783623187	IAPGFKXURBHWHH-GOSISDBHSA-N	405.527	5.235	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1C=Nn1cnnc1SCc1ccc(Cl)cc1	785450902	KTIFSCHBFFSHBF-UHFFFAOYSA-N	410.852	5.433	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nccc2ccccc12	792102686	GVSNEHZTTNUDND-ZGRWHYIRSA-N	400.787	5.797	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2C1	793482031	RKGRITHVHOBCJV-UHFFFAOYSA-N	419.525	5.033	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(=O)c2ccc(F)cc2o1	795543345	FMNZQQOHDAEMLZ-UHFFFAOYSA-N	414.392	5.157	30	20	HKED	
Cc1oc(C(C)C)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	796801118	VUMZFWNSBQSUPD-LJQANCHMSA-N	402.450	5.465	30	20	HKED	
CC(C)C(=O)Nc1ccc(C2=NNC(=Nc3ccccc3C(F)(F)F)SC2)cc1	806673776	OXZAPRPEOHAJEC-UHFFFAOYSA-N	420.460	5.028	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1	809087702	NDXOQUDLYMNJAS-SVMVAKDDSA-N	424.928	5.074	30	20	HKED	
Cc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1N1CCSCC1	814627103	DFVGTRZULBDJGH-OAQYLSRUSA-N	408.571	5.105	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1	815009721	BNNPEAZNQAWENV-JNDMAISQSA-N	418.537	5.035	30	20	HKED	
CC(C)c1cccc(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1	916917583	HSQZHUUKFJTHHW-VGSWGCGISA-N	400.478	5.078	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C2CCCCC2)cc1	916927465	KLQPXZRNWITRLA-SFHVURJKSA-N	415.320	6.002	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1-n1cccc1	916944365	CQOUMCNPIXXPTN-GOSISDBHSA-N	412.276	5.054	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	917043276	JVEKFLBNAVMGPT-CVEARBPZSA-N	400.425	5.611	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2cccc(C(F)(F)F)c2)cs1	917531858	AJRQVKHSSNDNJM-UHFFFAOYSA-N	418.444	5.601	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1	920142616	LROAPROZZBGYDN-KRWDZBQOSA-N	412.898	5.036	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)cc1	1786102125	JZVMFUMGDSPTLP-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ccccn3)cc2)CCC1	1786960220	IBVSPPBSZDNPPD-UHFFFAOYSA-N	419.569	5.141	30	20	HKED	
C[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)CCC1	1789193443	ZBQOLOULPFOBFA-KJNZLNQQSA-N	414.615	5.045	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825785311	IVKVYYRQBJSKGC-OAQYLSRUSA-N	414.615	5.058	30	20	HKED	
C=CCn1c(SCc2cc(F)cc3cccnc23)nc2cc(Cl)ccc2c1=O	31606508	NVQVASKSBQQYLY-UHFFFAOYSA-N	411.889	5.216	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccccn1	41480508	DSLZUHXILGYZKR-SFHVURJKSA-N	410.260	5.131	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Br)cc1Br	41648967	BGWZRHDWIDBMJT-NEPJUHHUSA-N	408.137	5.495	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2cccnc2)n1)c1nc(-c2ccccc2)cs1	57816943	RROWHGGDXADXKL-UHFFFAOYSA-N	418.547	5.090	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c(OCCCC)c(OC)c1	62904737	NRWAYORVPPDKJG-UHFFFAOYSA-N	412.917	5.228	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1cccnc1Oc1cccc(Br)c1	63962152	SPCNWNQBEJDHOF-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1	302196312	OTESRHGEDFVFRL-AWEZNQCLSA-N	410.399	5.397	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	303587592	LQIQWYGCSRHLDD-KBPBESRZSA-N	421.312	5.528	30	20	HKED	
CN(C(=O)[C@H]1CCCC(F)(F)C1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	409955223	BUWXYMKAGSUTCB-WCQYABFASA-N	403.313	5.593	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1	429499829	DZSHEBXRVAWCII-UHFFFAOYSA-N	420.827	5.524	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)c1	430591372	ARRKEVQOENYFRN-UHFFFAOYSA-N	410.886	5.135	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1SCC#N)[C@H](C)c1cc2ccccc2o1	434809225	NPQAODSDCNTSAC-QGZVFWFLSA-N	407.539	5.460	30	20	HKED	
COc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C(F)(F)F)c1	437736957	NHLXSJVFUXFJBS-APWZRJJASA-N	403.404	5.018	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1cccc(Cl)c1	438061156	RXQIYRAHSDDYRS-CABCVRRESA-N	403.935	5.181	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	438209163	SBGBKHZMAPJFMV-NVXWUHKLSA-N	414.387	5.150	30	20	HKED	
CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	439323033	FIQUMFCEXYLDGZ-MBSDFSHPSA-N	411.571	5.133	30	20	HKED	
C[C@@H](c1nnc(S[C@H](C)c2cccc(C#N)c2)n1-c1ccccc1)N1CCCCC1	442905936	FECYABGZIQNXOO-RBUKOAKNSA-N	417.582	5.539	30	20	HKED	
C[C@H](C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)C(F)(F)F	443873049	CBKLLUXOECFRKY-SECBINFHSA-N	422.300	5.234	30	20	HKED	
N#Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1C(F)(F)F	443884794	YVXFTSPSOSIOSQ-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)n[nH]2)cc1C	444457707	CTRXAOKAIKMJGN-IBGZPJMESA-N	423.501	5.179	30	20	HKED	
O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N(Cc1ccc(F)cc1)CC(F)(F)F	460470758	JVGDIQDLJLZMAC-IRXDYDNUSA-N	419.340	5.539	30	20	HKED	
C[C@H](NC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1	460885136	RDMCTVHQBFZIFB-NTUVXCKYSA-N	415.537	5.029	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)cc1	463182025	RBYUUBKGGBHRRI-UHFFFAOYSA-N	412.478	5.205	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)c1cccc(COc2ccccc2C#N)c1	464657511	SFCYEARQZXVSJS-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	464936347	BJUMQULPNFOILV-LEWJYISDSA-N	419.912	5.226	30	20	HKED	
CC(C)C[C@@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	469508249	ISFZIOCMFFCBMJ-NRFANRHFSA-N	405.542	5.622	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1F	470194598	LGLOMRUYGVSUSO-UHFFFAOYSA-N	401.526	5.039	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)cc1	471940778	JSGIZVWHTIDSLM-VXKWHMMOSA-N	402.494	5.023	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	472753055	PFFLYALCFFPWQJ-XJABCFGWSA-N	409.555	5.289	30	20	HKED	
CC(=O)CCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	473128762	OUGSQYWBWLGPCJ-CYBMUJFWSA-N	423.275	5.203	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c3c(C)noc3n2)c(C)o1	474436753	VVFVYYAHWQTBRX-MRXNPFEDSA-N	420.494	5.478	30	20	HKED	
Cc1cc2sc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)nc2cc1F	478080436	HYEWGNCTVJQVLQ-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NC(=O)c1cccc(SCC#N)c1	478102448	PEFRFXVDTAWGGQ-UHFFFAOYSA-N	411.324	5.779	30	20	HKED	
CCCN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCc2cccnc21	480565037	UVMLFYMYBCOGHK-XMMPIXPASA-N	410.521	5.198	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(C)n1)[C@@H](c1cccnc1)c1csc2ccccc12	480996412	CGJASNLCTHAHDY-QHCPKHFHSA-N	412.518	5.123	30	20	HKED	
N#Cc1c(CSc2nnc(-c3ccncc3)n2C2CCCCC2)cn2ccccc12	481396153	BKNYAIFOWMLONX-UHFFFAOYSA-N	414.538	5.262	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483219397	SUAPQJFNHFCCQW-SFHVURJKSA-N	421.378	5.707	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cc(Br)ccc1Br)c1ccccc1	483268369	ORHDSYJADNSDHH-ZDUSSCGKSA-N	422.120	5.238	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	483647403	WOUGUPYMIFFKKW-IBGZPJMESA-N	404.457	5.423	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccccc2[nH]1	485099363	BRETXPIMAJWFMH-MRXNPFEDSA-N	412.518	5.218	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccccc1	487531092	DGHDBPADRDOOLW-LJQANCHMSA-N	412.415	5.056	30	20	HKED	
C[C@H](SCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Br)c1	487925407	AGZUONHMHSXYDB-LBPRGKRZSA-N	400.301	5.365	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(F)cc1OC1CCOCC1)c1ccc(F)c(F)c1	488665021	AZYSETCTVBYKRP-NRFANRHFSA-N	420.431	5.101	30	20	HKED	
C=CCC[C@H](C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccccc1	489707722	YHBYIQSGJLHPBU-KSNOWIBYSA-N	407.554	5.178	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C1CC1	491105740	BMWZLJZHOIVHPO-SLXFGWRHSA-N	403.526	5.007	30	20	HKED	
CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	494217267	USIYEXRXRUJJHE-WMLDXEAASA-N	415.588	5.135	30	20	HKED	
COc1cccc(C[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	494299899	GYBGKJDIRXQBOE-SFHVURJKSA-N	416.546	5.220	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc3ccccc23)cc1	500988600	IKPRSTQDKAZSKX-UHFFFAOYSA-N	408.526	5.934	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	501021279	VXDBFLFMLRISIS-WOJBJXKFSA-N	410.395	5.507	30	20	HKED	
Cc1cc(F)cc([C@@]2(F)CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1	505297699	KCQSTVYRMZONSY-OPAMFIHVSA-N	415.509	5.489	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1Cl	505631048	CEJAAPHZBADVDF-OAQYLSRUSA-N	413.864	5.657	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1	507893585	YIIBCQZCKRSPQA-HSZRJFAPSA-N	414.461	5.161	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCOc4c(-c5ccccc5)cccc43)CC2)c1	509062525	HKOWROBYCHJUTB-HSZRJFAPSA-N	412.464	5.036	30	20	HKED	
CC(=O)N(c1nc(CSc2nnc(C)c(C)c2C#N)cs1)c1cccc(C)c1C	511858722	KSRUEKOKGQYENH-UHFFFAOYSA-N	423.567	5.015	30	20	HKED	
C=CCN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1	512669839	ZFFMDCRHAZJIFQ-UHFFFAOYSA-N	410.473	5.447	30	20	HKED	
C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)Nc1ccc(CC#N)cc1	517114465	PTPHYXADFZUCCD-XIKOKIGWSA-N	416.344	5.120	30	20	HKED	
CC(C)N(C(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N)C(C)C	517460566	LAJJITUWNUJEOT-AWEZNQCLSA-N	401.498	5.157	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	519157318	HKACVDWCHBUCON-UHFFFAOYSA-N	416.525	5.504	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1	520659763	OYJGFWAHKMFBDN-MRVPVSSYSA-N	401.727	6.117	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1	522106449	YUINNMYGNOVGJU-UHFFFAOYSA-N	421.953	5.696	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)NCc2cccc(C#N)c2)C(C)C)s1	522738875	AFDKCCUMCJHRMV-UHFFFAOYSA-N	403.551	5.715	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1	523094233	BAFVTKJLGKYAKZ-HNNXBMFYSA-N	406.404	5.322	30	20	HKED	
COc1ccccc1CN(C(=O)c1ccc(C#N)cn1)c1cc(Cl)cc(Cl)c1	523306601	XNLPRHQMQRJMSI-UHFFFAOYSA-N	412.276	5.116	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1	524075203	PEABDAPEWVBULB-UHFFFAOYSA-N	415.468	5.901	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1NC(=O)NC(C)(C)C	524859749	WFUGLKIOOWOTMM-OAHLLOKOSA-N	424.570	5.419	30	20	HKED	
COc1cc(C#N)ccc1OCCSCc1csc(-c2ccccc2F)n1	524887343	QEPQSKVGHNXIPW-UHFFFAOYSA-N	400.500	5.142	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ncoc3-c3ccccc3Cl)n2)cc1	525116272	QRGMFLAPPMFPSQ-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(COc2ccc(C#N)cc2F)cs1	531761106	PVIVCZSRHMBKPD-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)noc1C	533856188	GEBXRPXZBLKTCB-PZJWPPBQSA-N	422.916	5.873	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(OCCCC#N)c2)nn1-c1cccc(Cl)c1	537522374	RKNCCMCAUKBZFW-UHFFFAOYSA-N	409.877	5.161	30	20	HKED	
C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1	538176067	RSUKCYBNHMEQKD-GOSISDBHSA-N	415.512	5.730	30	20	HKED	
COc1ccc([C@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1	539496222	JHVKIAZZDPNZAJ-UPCLLVRISA-N	406.913	5.669	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@H](C)C1	540359263	GXEYKDSQYAAQRD-XVWGUNQUSA-N	400.526	5.574	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	542681651	NRCTUWZNUVXQID-HNNXBMFYSA-N	407.564	5.149	30	20	HKED	
Cc1ccc(N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C2CCCCC2)nc1	553868596	ZPFQIIFXFCZFDA-UHFFFAOYSA-N	412.493	5.429	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	554876383	MPRWCMJSJNNPOZ-WJMWBRGCSA-N	405.567	5.881	30	20	HKED	
COc1ccc(-c2cc(NC(=O)N3CCC(CC#N)CC3)ccc2OC(F)F)cc1	569494448	LWIWBCDPZIQGQE-UHFFFAOYSA-N	415.440	5.121	30	20	HKED	
CCO[C@@H](c1noc(CC2(C(F)(F)F)CC2)n1)c1ccc(F)cc1C(F)(F)F	578281817	IMCDFZWSFNYARS-CYBMUJFWSA-N	412.305	5.238	30	20	HKED	
CC(C)c1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)C2	579413130	HPARRHWKACPWJA-UHFFFAOYSA-N	412.493	5.459	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1	580679964	YIIITGFUNYWUGP-ZEQRLZLVSA-N	417.597	5.524	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccco1)Cc1cccs1	584189839	WGINPVZCRQDKII-MRXNPFEDSA-N	411.552	5.970	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1	591528000	BGRMOUJWOBIDJG-UHFFFAOYSA-N	411.505	5.479	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc2cc(F)ccc2s1	592973500	GAXGQEJEGGWJRN-SNVBAGLBSA-N	415.421	5.327	30	20	HKED	
COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C#N)cc2C(F)(F)F)c1	602762613	WKASPNWJHBQGLD-OAQYLSRUSA-N	423.394	5.357	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	603650385	WTUNZFHGFUMJMQ-UHFFFAOYSA-N	416.959	5.374	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccccc3)cn2)cc1	603829160	LKUUQMAQYJKAQK-QHCPKHFHSA-N	412.493	5.895	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(F)cc1Br	603967988	DUMMZWPPICIOMN-UHFFFAOYSA-N	401.260	5.441	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1	604078780	HXLPPCMDAJUPCB-HXUWFJFHSA-N	412.331	5.004	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1	606839971	HWQVSVOANYEKOQ-UHFFFAOYSA-N	422.422	5.126	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	608850994	IFSIUJSUZDESGS-QRWLVFNGSA-N	402.416	5.098	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccco2)on1	609526139	YMTCRDQTQAWSCC-UHFFFAOYSA-N	401.397	5.101	30	20	HKED	
CC(C)[C@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1	609636111	SKVPDWFCZAUGGN-IBGZPJMESA-N	404.514	5.101	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCS[C@@H](c4ccccc4)C3)c2)c1	609791406	JCZPQYMDHVKZHF-XMMPIXPASA-N	414.530	5.068	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	609857819	QYLFYFIEXIEUKT-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nccs1	610094535	NJXZCNOWMWBHLT-QFIPXVFZSA-N	406.511	5.562	30	20	HKED	
Cc1cc(F)cc2c(=N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(C#N)c[nH]c12	610246152	HGRTVKGNYKMVIN-IMRBUKKESA-N	419.344	5.297	30	20	HKED	
C[C@H](N[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1)c1cccc(C#N)c1	610346092	KHVIQKXWGBDQGC-ROUUACIJSA-N	414.940	6.021	30	20	HKED	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610717793	WUHMRECZUILHQJ-CQSZACIVSA-N	420.419	5.175	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	612894889	WWBZNKFNLPFXPQ-KRWDZBQOSA-N	419.893	5.917	30	20	HKED	
CC(C)(C#N)c1ccc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)cc1	614055351	DMGLAOXQMLKDKZ-UHFFFAOYSA-N	401.485	5.169	30	20	HKED	
Clc1ccc(-c2cc(CON=Cc3cccc(OCc4ccncc4)c3)on2)cc1	727435638	UVIGTRJNBRFLPE-UHFFFAOYSA-N	419.868	5.520	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c1	729655657	CEYMCZZNGVUFFF-UHFFFAOYSA-N	416.864	5.345	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1	730181259	XGLDQNWQKKSXOR-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
N#Cc1ccc(COC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c(F)c1	730367622	NNUKEDQVXAHVNT-UHFFFAOYSA-N	414.845	5.022	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2ccccc12	730994674	LMXULEGBFXTAQJ-KRWDZBQOSA-N	424.529	5.801	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(OCc2ccccc2C(=O)O)c1	731564583	LMBRQKIAYYMVER-SEYXRHQNSA-N	418.493	5.254	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)c1nc2ccccc2s1	731768824	RVKDZGHBLSAFBS-YUIUBULTSA-N	413.502	5.523	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	733621681	MITSVCWJGYUBNO-DEOSSOPVSA-N	410.477	5.669	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c1	733802122	GICCWJDGJOAUOK-IFXJQAMLSA-N	418.324	5.161	30	20	HKED	
CC(=O)N(c1nc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cs1)C1CC1	734304284	GYMQMYPIUDMMOQ-MDWZMJQESA-N	420.506	5.186	30	20	HKED	
C=CC[C@@H](NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1ccncc1	734509096	HHLIRPSPARLISL-OAQYLSRUSA-N	405.523	5.856	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(CCc2ccc(OCC)cc2)CC1)c1ccncc1	734682811	GILIVVCYENNKGS-DEOSSOPVSA-N	407.558	5.152	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1c(Cl)cccc1Cl	735318923	QVAVBNQULDNHGI-UHFFFAOYSA-N	415.729	5.421	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	738896301	NTWXSXFPPGRKAL-QPPBQGQZSA-N	411.505	5.372	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740059609	KZNGUVLZVYHAAP-CQSZACIVSA-N	411.477	5.468	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1csc(-c2ccccn2)n1	740327823	AVBPYNQJMFNWQQ-UHFFFAOYSA-N	420.412	5.146	30	20	HKED	
O=C(/C=C/c1cnc2ccc(Br)cn12)c1ccc(SC(F)F)cc1	740765591	IIIGHQJAGWHTFS-QPJJXVBHSA-N	409.255	5.308	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1	741993304	QAWKDYGPMDYMOW-KHPPLWFESA-N	423.394	5.094	30	20	HKED	
CC(C)NC(=O)[C@H](C#N)C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1	744033672	UPGLENAANMJIIA-OAHLLOKOSA-N	421.349	5.133	30	20	HKED	
CC(=O)N(C)c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	744772699	DXCUKCKYMCXDLG-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2scnc2C)cc1OCC	745626746	QIWUMDLKZKYOFT-VOTSOKGWSA-N	410.333	5.298	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)n1	747193840	QSPJPQXACREXMJ-CYBMUJFWSA-N	403.479	5.243	30	20	HKED	
FC(F)(F)c1ccc(C#CCOc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)cc1	754275747	QSIPPFAOBVCRET-IBGZPJMESA-N	414.383	5.037	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1CC#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	757986206	ZJZLPKFXWXJPNM-LLVKDONJSA-N	402.237	5.027	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c1	760397214	UMPCQAMPGVZUJL-HNNXBMFYSA-N	421.349	5.056	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1CCc2ccccc2C1	760971031	XISPFHBDZBLJDB-FOIQADDNSA-N	421.953	5.087	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2)nn(CN(CC)[C@@H](CC)c2ccncc2)c1=S	765032369	VIGXJAMMRCTCHY-NRFANRHFSA-N	423.586	5.101	30	20	HKED	
O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771099341	QXAFREYRJHPVEZ-CFGKVWFZSA-N	407.441	5.325	30	20	HKED	
C=CCC[C@H](NC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21)c1ccccc1	772625151	NBUGQGNQVKWFMG-GMAHTHKFSA-N	417.553	5.020	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(c3snc(Cl)c3C#N)C2)n1	774747279	YNDKELGTVWFLBK-GFCCVEGCSA-N	416.959	5.184	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3cc(SC(F)F)ccc32)c1	775412108	ZOEHGRWKWUMPTK-LAUBAEHRSA-N	402.510	5.849	30	20	HKED	
N#CCc1ccccc1CC(=O)N(CCc1ccccc1)c1nc2ccccc2s1	776741197	TVAPVLVRXMZKFI-UHFFFAOYSA-N	411.530	5.181	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1	776932173	NATJSZVEFYPYQG-UHFFFAOYSA-N	401.413	5.076	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(C)cc4)CCOCC3)n2)cc1	779193060	DYFRJFUJKQOEEY-OAQYLSRUSA-N	416.546	5.352	30	20	HKED	
C#C[C@@H](OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)C1CC1	779233426	BLZNVGMTAOAXSK-RNYBAVRGSA-N	408.382	5.064	30	20	HKED	
CCOc1cc(CNc2ccccc2O[C@@H](C)C#N)ccc1OCc1ccccc1	779989539	URLBVKLMNBUTQQ-IBGZPJMESA-N	402.494	5.567	30	20	HKED	
CCCCOc1ccc([C@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1OC	780668904	AGBJZBOPILWPJL-SJORKVTESA-N	411.502	5.048	30	20	HKED	
CCOCc1cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC	782382781	YWBIJSMNAGLKBG-IBGZPJMESA-N	400.522	5.621	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1	782484058	CBUHHVSXUKWLCP-GOSISDBHSA-N	423.516	5.089	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1	790971552	IHJXUWBWSAFPRS-UHFFFAOYSA-N	415.802	5.222	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Cl)ccc1Br)c1nccc2ccccc12	792092533	CRCRGGCPDWFEIN-QGZVFWFLSA-N	413.702	5.460	30	20	HKED	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl	793122384	BCDFIPQPFCNJQN-OXJNMPFZSA-N	418.880	5.122	30	20	HKED	
C[C@@H](NC(=S)NCCCCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	794988043	BODIAXDEKIMORI-OAHLLOKOSA-N	405.489	5.483	30	20	HKED	
CC(C)(C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F)c1csc(-c2cccs2)n1	800403716	BAZQJILULMIRPM-CQSZACIVSA-N	418.490	5.105	30	20	HKED	
CCOc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)c(C(F)(F)F)c1	804301760	UVNJZNCOJIUCCT-UHFFFAOYSA-N	413.264	5.653	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813215293	WFLMDNUOGSFKBC-IINYFYTJSA-N	401.215	5.462	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1cc(C(F)(F)F)ccn1	813215394	XSUJKYKYZHEMJD-KJPDOMRESA-N	401.775	5.192	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915085504	MULHMXXAYAVNLC-MHZLTWQESA-N	413.480	6.133	30	20	HKED	
COc1cc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC	916137843	FWPNPEKAOVOVHU-CMDGGOBGSA-N	415.898	5.385	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2s1	916846089	HOEINYRBZOUFKE-OQHXTRMZSA-N	406.816	5.858	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	916928570	NZVLSRCTAKIUFZ-CZUORRHYSA-N	419.308	5.233	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccs3)n2)cc1	916951587	ZDZBNYDLFORMSF-CZUORRHYSA-N	409.536	5.346	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	918487985	TYULTONJDUFZOR-CQSZACIVSA-N	415.301	5.683	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1	920105991	PYFKOPHRRKCZLI-IBGZPJMESA-N	413.502	5.043	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Cl)c(C)c1Cl	1847268127	MXRVAYLXPMSMHR-ROUUACIJSA-N	423.384	5.110	30	20	HKED	
CC#CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12	1628804	GYZQEZMLGAYNIU-UHFFFAOYSA-N	417.512	5.986	30	20	HKED	
C=CCn1c(C)nnc1S[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1	6909104	GQEFALMASWRSGK-IBGZPJMESA-N	412.946	5.206	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2)cc1	10170775	RVNGVADHTSEENN-UHFFFAOYSA-O	401.555	5.076	30	20	HKED	
N#CCc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1	16495977	JLOAWVJHISJLFJ-UHFFFAOYSA-N	415.443	5.750	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cc(C)ccc1C	22729838	UXPMSTTWEFNNRZ-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	46347165	DYUHCPKSEYOHEZ-UHFFFAOYSA-N	418.518	5.303	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1	46668192	VTHIHKNSXFDRFY-OAHLLOKOSA-N	407.857	5.113	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(c1ccccc1)c1ccccc1	47974598	JWTGBOMWEADVRX-UHFFFAOYSA-N	419.484	5.825	30	20	HKED	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1-c1ccccc1C#N	50867492	VRCAUCSJXUQNGI-BKMJKUGQSA-N	410.517	5.465	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)[C@@H](C)c1ccc(C#N)cc1	106212822	VWKFWTSLWDVRTK-SFHVURJKSA-N	403.526	5.300	30	20	HKED	
CCN(CC)[C@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccccc1	111045269	IXPMIKPHOXLDKX-QHCPKHFHSA-N	414.509	5.076	30	20	HKED	
COc1ccc([C@@H](CNc2snc(Cl)c2C#N)c2c[nH]c3ccccc23)cc1	111219559	IUBMROMFXICZAW-QGZVFWFLSA-N	408.914	5.402	30	20	HKED	
N#Cc1c(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cn2ccccc12	115414957	PKWCDWZTXHEGMJ-UHFFFAOYSA-N	414.968	5.733	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1F	218653475	GBOUGNVCJHXUKH-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
C[C@@H](Nc1ncc(Cl)c(N[C@H](C)c2cccc(C#N)c2)n1)c1cccc(C#N)c1	301711372	HZNCHSBIVHWNEJ-HUUCEWRRSA-N	402.889	5.220	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)cc1	303317656	QLDAMEPEKQHMNV-QFIPXVFZSA-N	406.432	5.525	30	20	HKED	
Cc1ccc(NC(=O)CNc2ccccc2S[C@@H](C)CC#N)c(Br)c1	303330325	JMWORQIMORBPEX-AWEZNQCLSA-N	418.360	5.202	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1	303615324	CIIPZNHNYOAUIS-NHCUHLMSSA-N	420.434	5.308	30	20	HKED	
C[C@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(C(F)(F)F)cc1	409677585	GHOCRQFOJKDDEX-VMEOHVCESA-N	416.443	5.187	30	20	HKED	
Cn1nccc1[C@H]1CCCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	410289911	NHMHJMFWOBFZOH-OAQYLSRUSA-N	420.900	5.105	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1c(F)cc(F)c(F)c1F	430959192	XAUBHERHVMVEDJ-VIFPVBQESA-N	408.317	5.164	30	20	HKED	
C=CCC(C)(C)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	431722183	KSLZGWYEKIRQGJ-HXUWFJFHSA-N	406.526	5.036	30	20	HKED	
CCC(CC)n1nccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	432648648	JSUVDXZYKYDUOF-UHFFFAOYSA-N	402.498	5.142	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C)c1ccccc1	435599039	UTKZGAGOIMERHA-NRFANRHFSA-N	423.582	5.013	30	20	HKED	
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[S@](=O)CCCCC(C)(C)C#N	436097252	ICTABTJFTQLRHA-DBDZUICISA-N	413.465	5.285	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1	436199895	VUENAZPTURSJHB-UHFFFAOYSA-N	421.254	5.018	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H](c2ccccc2)CO1	437377163	OMNPTSDJHIPNQK-GAJHUEQPSA-N	416.452	5.092	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(Oc4ccccn4)c3)cc2)cc1	437463659	UYXDJAVNCDCZRP-UHFFFAOYSA-N	421.456	5.985	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(CCC(F)(F)F)c2)o1	440704570	MAROKDNROVWUJO-UHFFFAOYSA-N	414.383	5.477	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@H](CC)c1ccncc1)c1ccc(C(F)(F)F)cc1	441538965	XFCADGMFQXJZDP-VQTJNVASSA-N	405.464	5.900	30	20	HKED	
Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	444396539	JZKOQJHPPJMLJH-DLBZAZTESA-N	419.554	5.458	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)cc1	446819268	WSRYVXRHLQJPRJ-ZDUSSCGKSA-N	418.324	5.060	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1)c1ccccc1	464465567	GUWGHCVEHYXDRD-FOIQADDNSA-N	410.395	5.730	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)Nc3ccccc3SCCC#N)c2o1	468016449	JFCZYLZEHZPDDD-UHFFFAOYSA-N	415.312	5.762	30	20	HKED	
CC(C)c1nccn1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	468434364	GOVYYAVGXUUUOR-FQEVSTJZSA-N	406.917	5.344	30	20	HKED	
CCN(Cc1csc(CC(=O)Nc2ccccc2C)n1)[C@H](C)c1ccc(C#N)cc1	470963517	LPIFSODBBUBUJB-GOSISDBHSA-N	418.566	5.088	30	20	HKED	
C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H]1c1cccc(F)c1	472311886	BBUWYWGUMSKRBV-SAHWJRBASA-N	411.546	5.099	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1C	474451669	ZPXGEGZJQSVBPN-SFHVURJKSA-N	417.538	5.151	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C[C@@H](CC#N)c2ccccc2)C1	476360122	VMTXZTPZDSYRNR-OZOXKJRCSA-N	400.444	5.702	30	20	HKED	
Cn1c(CC#N)nnc1SCc1ccc(Oc2cccc(Cl)c2Cl)cc1	477079341	XOOLTZKVPOUHJW-UHFFFAOYSA-N	405.310	5.273	30	20	HKED	
Cc1coc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc12	477679279	JDAUCGXWSHOPSU-QGZVFWFLSA-N	423.472	5.096	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(Cl)c1)c1nc2ccccc2n1C(F)F	477859107	LLJORVGMDKQJNS-JTQLQIEISA-N	424.632	5.337	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@H]3c3ccco3)c2)c1	480285885	OLUPZGFXEKMHKU-NRFANRHFSA-N	414.465	5.163	30	20	HKED	
CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1	480803249	IIHJASRHTQUYMJ-NRFANRHFSA-N	417.465	5.111	30	20	HKED	
CC(C)(C)[C@H]1C[C@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1	481047407	LQEXEGBCWQNRKF-IIBYNOLFSA-N	412.917	5.327	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)ccc1F	481598250	OMOOLKKVDWEUDC-UHFFFAOYSA-N	414.893	5.372	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc2)cs1	483191728	BSRRUFZDTSOWAS-GOSISDBHSA-N	416.531	5.177	30	20	HKED	
CCOCCC1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCC1	483360988	SGPQSMBODVAJAA-UHFFFAOYSA-N	421.541	5.164	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCC2)n1	485027401	NXHIVTDMYQMLMG-UHFFFAOYSA-N	404.495	5.316	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl	485395968	IQIGUULGNXUEIV-LLVKDONJSA-N	401.340	5.046	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@@H](C)c2c[nH]c3ccccc23)cc1	485774240	ZHTWULOYEYCWOQ-GOSISDBHSA-N	401.510	5.114	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1	487860187	UHCXSUURBCJRMT-MOPGFXCFSA-N	421.566	5.189	30	20	HKED	
C=CCn1c(SCc2csc(CCc3ccccc3)n2)nnc1-c1ccccn1	488902185	OKYNHXGTEZXICL-UHFFFAOYSA-N	419.579	5.060	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccnc(Oc2ccccc2F)c1	489091154	YDXKUSKHNIAYEK-UHFFFAOYSA-N	419.500	6.187	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1ccc(C#N)cc1	491345262	FUBQVKXJMREZSD-HNNXBMFYSA-N	407.420	5.298	30	20	HKED	
C=CCn1c(SCc2cc(C#N)ccc2Br)nnc1-c1cccs1	491581717	PEWYUUXWYKTEFB-UHFFFAOYSA-N	417.357	5.119	30	20	HKED	
Cc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(F)cc1Br	497428371	XOAUYRXOSPGQQT-UHFFFAOYSA-N	414.278	5.090	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1	498061628	SZPFBGXOIAZIMJ-AWEZNQCLSA-N	404.413	6.035	30	20	HKED	
C[C@@H](Cc1cccs1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	502989190	GSWUDYWMKVIOBW-KRWDZBQOSA-N	405.523	5.146	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1	504020452	OSFQJXCEUKOMKE-SFHVURJKSA-N	401.441	5.511	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1	504162574	GOTJPRYNBAMTRW-KRWDZBQOSA-N	418.566	5.673	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)cc1	507854228	XLWDKKMDLHPJRS-UHFFFAOYSA-N	422.481	5.113	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1	513687391	RSLCDJDPLXITQM-MRXNPFEDSA-N	420.925	5.301	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)cc2)nc1	514959461	VSCOWRICOGZEIY-RBZQAINGSA-N	409.489	5.154	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(OC(F)F)cc1	517527087	VNMWUSJKEZHXPT-KRWDZBQOSA-N	408.448	5.589	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1	518007228	LJOZHMWPMJRUAC-UHFFFAOYSA-N	406.555	5.125	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)cc2)cc1	519998732	GYGDHFXAGIJOOC-UHFFFAOYSA-N	405.816	5.877	30	20	HKED	
CCN(Cc1ccc(C)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	520178881	DVOFYFOZLPVWPK-UHFFFAOYSA-N	413.521	5.694	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3nc4ccccc4s3)cc2)c1	520941491	PELCOMNHZXQGQS-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
COc1cc(CSc2nncc3ccccc23)ccc1OCc1cccc(C#N)c1	522624559	BVEMSWBTXVBMSC-UHFFFAOYSA-N	413.502	5.381	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)C1	522645001	XHWDIHKZTMPEQK-JBEBIEQOSA-N	418.472	5.109	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCc3cccc(O)c3)cc2Cl)cc1	522835091	GTCXTABDHNRTHG-UHFFFAOYSA-N	407.857	5.074	30	20	HKED	
N#Cc1cn(CCCOc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2c1=O	523109147	WOYVJWNLNCOCNQ-UHFFFAOYSA-N	406.791	5.014	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccnc2)nc2scc(-c3ccccc3)c2c1=O	524402846	IZTHMEZFGIVOHL-OAHLLOKOSA-N	405.548	5.559	30	20	HKED	
CCC(CC)[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccs1	524566647	XLORVDJTKORICM-YWZLYKJASA-N	401.601	6.299	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1	525538389	BRLZGXUSBSXNGS-UHFFFAOYSA-N	413.905	5.236	30	20	HKED	
CC(=O)Nc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1Cl	532890383	ICBAZVPWFFFRHQ-UHFFFAOYSA-N	405.885	5.361	30	20	HKED	
N#CCCCOc1cccc(CNc2cccc(C[S@](=O)C3CCCCC3)c2)c1	532895962	ZPKPWMXZXJKVTH-LJAQVGFWSA-N	410.583	5.563	30	20	HKED	
C=C[C@H](CC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1	535398469	SNMLFWXKZJMYAW-HXUWFJFHSA-N	411.567	5.233	30	20	HKED	
C[C@H](N[C@H](Cc1ccccc1)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	541593455	KDAFDEAUIYIZMV-HNAYVOBHSA-N	421.591	5.071	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C(F)(F)F	554763463	ZKIVJGAPMDDBCC-WDYCEAGBSA-N	417.431	5.320	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccncn1	555037090	YVRQGWNNTHVPCB-KRWDZBQOSA-N	403.438	5.144	30	20	HKED	
N#CC1CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2Cc2cccs2)CC1	555441375	VDVNSXNNBZLTQZ-UHFFFAOYSA-N	418.353	5.102	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C3CCOCC3)CC2)cc1	564807233	JMPXDSSPVOSVJS-UHFFFAOYSA-N	405.498	5.021	30	20	HKED	
COc1cccc([C@H](C)CCCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1	567769324	ZMMAHWOOOMKWJH-GOSISDBHSA-N	424.516	5.050	30	20	HKED	
N#CC[C@H](Cc1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1)c1ccccc1	584436053	NWJRBHWQGNOPDR-QGZVFWFLSA-N	416.868	5.817	30	20	HKED	
Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N(C)Cc1ccc(C#N)cc1	603658102	KWUUGWWPENELQR-UHFFFAOYSA-N	401.514	5.014	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)cn2)c1	603691591	QFADRCKHKZSXJP-NRFANRHFSA-N	402.429	5.254	30	20	HKED	
CCc1ccccc1OCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609061731	HESIGTQMMKHMHH-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
N#CCn1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc2ccccc21	609165796	UODFBWLWMANJRC-OAQYLSRUSA-N	405.910	5.399	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc(F)c1	609387150	PRXSKUOVLBKLGL-LBPRGKRZSA-N	411.424	5.289	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609502757	NAKVCLRTIMNWPZ-UHFFFAOYSA-N	407.473	5.245	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nccs1	610094858	NRIAGZYURFKXEH-JOCHJYFZSA-N	422.510	5.263	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1	610171499	MTLUAPIDTSGSND-VXKWHMMOSA-N	420.434	5.308	30	20	HKED	
C[C@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1cccc(C#N)c1	610364543	VDSYHMJBOUGEOL-KRWDZBQOSA-N	404.897	5.211	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(C(C)(C)C#N)cc3)s2)cc1	614185233	YSEQQJIINUDLST-MRXNPFEDSA-N	405.567	5.779	30	20	HKED	
CCn1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc2ccccc21	620304467	BAHDQLYKYPLZBS-AWEZNQCLSA-N	407.445	5.553	30	20	HKED	
N#C[C@H](C(=O)c1ncsc1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1	670115957	RLZYIWBOXKHUGB-SSDOTTSWSA-N	421.347	5.280	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1cnc2ccccc2n1	671780115	ZAENVLSCFBEVST-NRFANRHFSA-N	400.441	5.335	30	20	HKED	
CN(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CCC(F)(F)CC1	672732442	HQZXUFYQECWGGQ-UWVGGRQHSA-N	410.349	5.115	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1Br	725830795	LMISTBGISVHGAK-UHFFFAOYSA-N	409.209	5.247	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3F)cc2)cc1NC(C)=O	726428265	IWNOVYQCJTYUPH-LCYFTJDESA-N	419.452	5.268	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	728697871	YPNBYMMGZAYUDB-DJFZKKHWSA-N	413.317	5.911	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	729887940	FUVFDVUROTVCHV-CIZGOSNJSA-N	414.864	5.017	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)c(F)c2)cc1	730172969	SJOXCEULCUGBMR-UHFFFAOYSA-N	413.499	5.134	30	20	HKED	
CC/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	731077903	LNYNMWJPTMIQNM-LXMVLSBBSA-N	408.523	5.056	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	732496329	RIIDMUHPJMCGEZ-KRWDZBQOSA-N	409.898	5.247	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)OCc3ccc(OCC#N)cc3)cc2)cs1	733431907	FXMQWGPUFOKFJN-UHFFFAOYSA-N	410.520	5.003	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2)C2CCCC2)ccc1OC	733644725	GGPWQMQGYUIJRK-XUZZJYLKSA-N	421.541	5.107	30	20	HKED	
C#CC[C@@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccn1	733692686	JGNGTYXLEIUOME-OAQYLSRUSA-N	400.503	5.382	30	20	HKED	
Cc1cccc([C@H]2CCCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)c1	735494949	LFPGYWFLYAXSNA-JTHBVZDNSA-N	410.521	5.149	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1ccc(F)cc1	743095152	GPIPMILSFLONBD-GAJHUEQPSA-N	403.457	5.070	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cc1	744521687	WXVQKZKUUWRSRO-UHFFFAOYSA-N	401.447	5.002	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CC(OCc4ccccc4)C3)n2)cc1	747109447	RQBOMIFHDCNSRB-XVAXZDLZSA-N	402.519	5.290	30	20	HKED	
CC(=NNc1ccc(F)cc1Br)c1sc(-c2cccnc2)nc1C	747611035	IKLNPICKIJVPMZ-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccncc3)cc2F)SC1=S	751527751	YWCPDJSWXICPIC-NDENLUEZSA-N	417.490	5.165	30	20	HKED	
C/C(=C\c1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	756517132	ZBHDWZZUNSPXGV-BMGYJQCNSA-N	407.684	5.398	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CC2	763945982	VXTRVAYTYUALBL-ZBFHGGJFSA-N	416.424	5.230	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1	764779201	OYSCBLYKMURZSS-IIBYNOLFSA-N	416.352	5.645	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@@H]2CCCc3ccccc32)c1=S	764868131	FGXOBOMUWIQTLL-OAQYLSRUSA-N	405.571	5.019	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F	769123258	XZSALBQJPMLZEZ-YJBOKZPZSA-N	404.457	5.387	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)n1	769304283	RPMQFGJKAJHAPF-QGZVFWFLSA-N	411.527	5.007	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)Cc1ccc(Cl)cc1	772647275	XBBPZJZLPSJRNX-IERDGZPVSA-N	410.945	5.381	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(N2CCSCC2)cc1C	782739556	DIQOTIYXCOSQGH-UHFFFAOYSA-N	411.571	5.090	30	20	HKED	
N#C[C@@H](C(=O)CC1CCC(C(F)(F)F)CC1)c1nc2cc(Cl)ccc2s1	783358649	PSHHJMATVJIVOY-XIVSLSHWSA-N	400.853	5.885	30	20	HKED	
COc1cc(C#N)ccc1CN[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	796472173	UYBJUEGGSUJWMB-GOSISDBHSA-N	408.716	5.249	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	802043142	RISJPWNUJMCBKS-HTAPYJJXSA-N	412.489	5.130	30	20	HKED	
CC(C)(O)c1cccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	806212942	HTRDMMIVCMNVNC-UHFFFAOYSA-N	415.493	5.203	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc2c1COC2=O)c1ccc(C(F)(F)F)cc1	808911782	DGLQMGDCHQNSIJ-QGZVFWFLSA-N	404.388	5.205	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813212706	GCVLCQNVBHIAAA-GHTZIAJQSA-N	412.436	5.810	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1	813217861	JXEZFWUEHRDXFZ-DTBYZMGXSA-N	422.406	5.526	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccccc1	814313927	QUOJQEJBJXEVRY-XMSQKQJNSA-N	407.514	5.101	30	20	HKED	
O=c1[nH]ccc2cc(NN=Cc3sc(Sc4ccccc4)nc3Cl)ccc12	814923788	BHTYCIJWFFKOOT-UHFFFAOYSA-N	412.927	5.235	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1)[n+]1ccc(C(CC)CC)cc1	839408737	SQAACNQJTZDIJO-UHFFFAOYSA-O	416.010	5.908	30	20	HKED	
COc1ccc2cc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)ccc2c1	916278847	YXXAMSFPVYUFAW-UHFFFAOYSA-N	424.529	5.355	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nc2ccccc2s1	916847959	YYDVGDFWCDDQKS-OAHLLOKOSA-N	411.324	5.357	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1	916911870	YDTUZZHKZBLQTR-FQEVSTJZSA-N	418.880	5.412	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(F)(F)F)cc2)cc1	916948675	JGGDDMOCPNKWFF-IFXJQAMLSA-N	418.415	5.102	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)sc21	917040247	IVXOBBMGROHUAH-CQSZACIVSA-N	420.444	5.628	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2c2ccc(Br)cc2)c1=S	917486977	NTBZIMLSBWRCKS-QGZVFWFLSA-N	419.392	5.035	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(C#N)c2)cs1	917559902	DUWBXPOSLQHHAN-YFHOEESVSA-N	407.882	5.249	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4cccc(F)c4c3C)n2)cc1	920139188	ONHHGZJKUICXGR-OAHLLOKOSA-N	422.506	5.971	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCCC4)cc3)CCC2)c1	1787612750	CKUHGXLCUYFOFC-SFHVURJKSA-N	415.537	5.252	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3CC)CCC2)cc1	1789452906	FHGALXJRPMTBDE-NRFANRHFSA-N	417.553	5.160	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CSC3CCCC3)CCC2)cc1	1791295946	GNMMJJNZXLZGCC-UHFFFAOYSA-N	422.541	5.008	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1823752380	RNABSYFTYBNNCO-DHIUTWEWSA-N	414.634	5.345	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1824145219	WBAPFZYMKGFDBG-ZEQKJWHPSA-N	412.618	5.121	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1828823612	VLPOQGLROWVKGL-SFTDATJTSA-N	414.615	5.058	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(C3CCCCC3)cc2)nnc1-c1cccnc1	8472178	JOUBBJPGHCSXOC-UHFFFAOYSA-N	418.566	5.549	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccccc2)cc1	10173988	YVAPUUWBEXGASB-UHFFFAOYSA-O	411.572	5.102	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccs4)n3)n2)cc1	17342039	PLGMITHZDGUKJK-UHFFFAOYSA-N	408.533	5.048	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n1	21515053	OXVWFAKDDUERNN-SNVBAGLBSA-N	424.473	5.049	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)COC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	50206164	UTDDNPBITFTNAE-MRXNPFEDSA-N	415.301	5.637	30	20	HKED	
C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccccc1Cl	56153516	KNZRXSPLMAZPBC-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)ccc3OCC)s2)cc1	56478405	JTUWWJDZDWYADB-UHFFFAOYSA-N	407.495	5.040	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1cccs1	56800270	FYYQTBTWZHFDTR-NRFANRHFSA-N	403.507	6.090	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1OC(F)F	60127442	IKMGJHZFBNTKOY-OAHLLOKOSA-N	423.419	5.391	30	20	HKED	
CCCCc1ccc(-n2c(SC[C@H](C#N)CCC#N)nc3ccccc3c2=O)cc1	61715752	SOUJWBHECLCKOQ-IBGZPJMESA-N	416.550	5.264	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1	64456504	AIYGNCISUYLHPH-UHFFFAOYSA-N	422.897	5.181	30	20	HKED	
CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	106115082	MUFWTWFQXCSYBY-MRXNPFEDSA-N	421.522	5.368	30	20	HKED	
COc1ccc(CN[C@H](C)c2nc(-c3ccccc3)cs2)cc1OCCCC#N	237348228	RAEWQXVNOBFZSN-QGZVFWFLSA-N	407.539	5.352	30	20	HKED	
C=CCn1c(Sc2ccc([N+](=O)[O-])c3cnccc23)nnc1-c1ccc(C)cc1	301724553	TWFLIDKABOBYHJ-UHFFFAOYSA-N	403.467	5.047	30	20	HKED	
Cc1cc(-c2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c3c(C)noc3n2)c(C)s1	434027562	ZGLSOQFJWOMFGQ-SFHVURJKSA-N	408.527	5.031	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CC[C@@H](CC(F)(F)F)C1	434162387	HYYUOJIBWUIWLV-CABZTGNLSA-N	422.291	5.293	30	20	HKED	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	435104697	SAECEARILQOALW-LJFZDNNRSA-N	403.526	5.517	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1Cl	437740566	YTKUNEDIKABSSZ-SFHVURJKSA-N	421.850	5.802	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CC)C[C@H]2CCN(Cc3ccccc3)C2)c1	438122431	PGHTVYJOBNKNBI-QFIPXVFZSA-N	407.558	5.017	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1	438484393	IKJSDJGZIWAKGE-UHFFFAOYSA-N	410.518	5.126	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cnn1-c1cccc(C#N)c1	440083655	UDRKXRTZPHMOHO-CVEARBPZSA-N	404.436	5.004	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C	440481770	BVNURWVRHKSSNA-JTQLQIEISA-N	409.374	5.774	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Br)c(Cl)c1F	444293349	SURDTUHZHIJWTI-GOEBONIOSA-N	421.697	5.154	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccoc3Br)cc2Cl)cc1	445190230	TXVZPWJSWIOCOB-UHFFFAOYSA-N	417.646	5.612	30	20	HKED	
COc1cc(C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC	446031931	SGHHWANUNASRTP-UHFFFAOYSA-N	406.413	5.068	30	20	HKED	
C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1c1csc(C)n1	460536754	AVWCZQUHXROONT-HXUWFJFHSA-N	423.586	5.156	30	20	HKED	
CCc1nc2ccc(Cl)cn2c1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	464190558	OFOIHRAAKWNISZ-OAHLLOKOSA-N	406.898	5.164	30	20	HKED	
CC[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(C(F)(F)F)cs1	465260857	URMOYDXCROILRW-KRWDZBQOSA-N	415.440	5.582	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1	466454782	KPUHYAMVBXMTII-GFCCVEGCSA-N	420.897	5.049	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nc(-c2ccncc2)cs1	467072715	CLOSBEPETOXCFX-LJQANCHMSA-N	416.893	5.411	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccccc3S[C@H](C)CC#N)c2)n1	470598669	GVUCLQCDTAJLHW-MRXNPFEDSA-N	406.511	5.997	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)c3ccccc32)cc1Cl	475342905	MLGFKUCBQGVNRG-LEWJYISDSA-N	400.865	5.304	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1	475548238	NRGNSDOOLDKSQV-UHFFFAOYSA-N	405.586	5.667	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(F)c1	477697932	FJJLRRQVOCCODZ-UHFFFAOYSA-N	409.339	5.231	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccccc1	477707363	YQWDVWISQJZDAY-MRXNPFEDSA-N	415.440	5.855	30	20	HKED	
O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N(CCC(F)(F)F)Cc1ccccc1	478853580	AEJFTTSEUWWGFL-MRXNPFEDSA-N	422.344	5.593	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482343175	GSQWYSJNHRDDCW-OAHLLOKOSA-N	408.317	5.290	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C	483714330	PLWUXAYFENISKY-OAHLLOKOSA-N	421.476	5.396	30	20	HKED	
CCOC(=O)c1csc([C@H]2CCCN2Cc2ccc(-c3ccccc3C#N)cc2)n1	484915261	WUPRUZOIAHDMBX-JOCHJYFZSA-N	417.534	5.196	30	20	HKED	
C=CCSc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	486993711	CXQDQYSVUYLREK-SFHVURJKSA-N	406.532	5.587	30	20	HKED	
C=CCc1cc(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc(OC)c1OC	492348833	DFDKUYGBGPZWBA-KRWDZBQOSA-N	405.416	5.129	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)n1	496163286	BAEHHLLBYVNIGV-KRWDZBQOSA-N	420.881	5.312	30	20	HKED	
CC[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496330425	OSZWMLNUXCBBKD-CQSZACIVSA-N	408.449	5.031	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)nc2c1cnn2[C@H](C)CC	497487370	AMVOVFGEDIBEKF-CQSZACIVSA-N	402.951	5.254	30	20	HKED	
N#CC1(CCCn2cc(Br)c(-c3ccc(Cl)cc3)n2)CCOCC1	499974122	FFXWBGMXDYMZJB-UHFFFAOYSA-N	408.727	5.067	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccc(Br)cc2)s1	502555908	SNSVCZMFHAGWSD-UHFFFAOYSA-N	415.312	5.327	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	504907738	GQOPFPYRNKGTFI-AEFFLSMTSA-N	421.394	5.070	30	20	HKED	
C=CCCc1ccccc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1	505030603	XTJDEDGDDNKKPY-UHFFFAOYSA-N	412.537	5.085	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	505200878	GZQRPANOKLZPCH-UHFFFAOYSA-N	408.329	5.369	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1nc2ccccc2o1	505456843	FGDRAXCESVSPFL-LJQANCHMSA-N	407.404	5.672	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	505911690	DYGLYGBWXQCILB-SFHVURJKSA-N	401.413	5.132	30	20	HKED	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)N1CCC(C)(C#N)CC1	506756935	CFXUGUFONSEJKF-UHFFFAOYSA-N	411.527	5.058	30	20	HKED	
CCC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	511913653	CLPPSBWFOMATRL-QGZVFWFLSA-N	419.550	5.453	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2OC(C)C)cc1	516682614	ZQQMCFPZYRFVLQ-LJQANCHMSA-N	421.541	5.171	30	20	HKED	
N#C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	517605607	MZHVUQVDIPZSGE-LJQANCHMSA-N	400.425	5.332	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)c(C)c2c1	518207419	JPDFZDDDWICZCM-JOCHJYFZSA-N	416.521	5.555	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nc2ccccc2o1	518502337	SJMJJCUGCQWDBP-QGZVFWFLSA-N	415.430	5.377	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1	520006995	HSWAITSFDHKJCD-JTQLQIEISA-N	415.952	5.933	30	20	HKED	
N#C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1	520019078	KXMLGHWZDQQBIH-HNNXBMFYSA-N	406.269	5.251	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1C(C)(C)C	521473913	ZVOATIIHVAPBBY-IBGZPJMESA-N	406.917	5.508	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1	523710621	QSWYHHVYIYCGMQ-VWLOTQADSA-N	412.489	5.123	30	20	HKED	
N#Cc1c(NC(=O)c2ccnc(Oc3ccccc3)c2)sc2c1-c1ccccc1CC2	523869930	HFQWJNCYYRDHHS-UHFFFAOYSA-N	423.497	5.825	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3csc(C(F)(F)F)n3)c2)cc1	525991529	ICYZBXDPLROAPK-UHFFFAOYSA-N	417.412	5.059	30	20	HKED	
COc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1	532536008	BEECQPLZVQZZEO-UHFFFAOYSA-N	402.519	5.098	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccc(Cl)c1	533241076	MPTINIPUPNOBEY-OXQOHEQNSA-N	413.974	5.510	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1F	536282104	VPOAYNZKVUXFEG-UHFFFAOYSA-N	408.404	5.066	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1	536689755	AMVCSLXVUMCUBJ-LBPRGKRZSA-N	403.429	5.691	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)cc2)CC1	538537879	QOOPTYRMZHGQJU-UHFFFAOYSA-N	411.433	5.219	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCO[C@H](CC(C)C)C1	538617344	NPFYURCWDQFUEC-JTHBVZDNSA-N	421.541	5.161	30	20	HKED	
Cc1onc(-c2ccncc2)c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542989559	MWCJUWZUTIMSCO-MRXNPFEDSA-N	408.461	5.075	30	20	HKED	
O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1	546525907	BASHUNXQGNLKTE-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CC(C)Oc1cccc([C@@H](NC2CCC(Oc3ncccc3C#N)CC2)C(F)F)c1	550911163	LSLYPAJWJJDOET-GZNCHQMQSA-N	415.484	5.026	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1	553329603	LWZZGWRMZBBBDP-KRWDZBQOSA-N	408.548	5.406	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CCC#N)c3ccc(F)cc3)c3c(C)noc3n2)c(C)o1	553820383	PTZZDQBEXNECTR-UHFFFAOYSA-N	418.428	5.108	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@H](CCCC#N)c1ccccc1	556907235	OBUWYCKVNKJVJU-HHHXNRCGSA-N	420.560	6.373	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCc1cccc(C#N)c1	557334582	QHGFJMUYMCUYNW-UHFFFAOYSA-N	409.411	5.750	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C1CC1	558339331	KRANWHZMIJPBBC-UHFFFAOYSA-N	415.497	5.724	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1cccc(OCCCC#N)c1	559998637	ZYQXKNVTFOIYML-HXUWFJFHSA-N	405.542	5.304	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1	568031549	CNGOTACQRGLJTB-LBPRGKRZSA-N	414.328	5.577	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccccc2-c2ccccc2)c1C	581398195	BBGXCEZEVFUHCK-UHFFFAOYSA-N	422.488	5.045	30	20	HKED	
C=CCOc1ccc(CNCc2ccc(N3CCc4ccccc4C3)nc2)cc1Cl	589641508	MZDGEARCCZCBGE-UHFFFAOYSA-N	419.956	5.152	30	20	HKED	
Cc1ccc(-c2cc(C(=O)NC3(C#N)CCCCC3)c3cnn(C(C)C)c3n2)s1	590649915	DSLLDDMHQPOUHK-UHFFFAOYSA-N	407.543	5.005	30	20	HKED	
COc1cccc(N(CC(C)C)C(=O)c2ccc(COc3ccccc3C#N)o2)c1	603958249	UPWRTIAEESHAIT-UHFFFAOYSA-N	404.466	5.042	30	20	HKED	
C=CCCCN(C)C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12	605645164	PRQCEGWMVFBPQQ-UHFFFAOYSA-N	406.526	5.209	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](C)c1ccc(F)cc1	609060411	DIIHSQIUHPNHKP-KRWDZBQOSA-N	402.469	5.717	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(F)cc1Cl	609061700	HBPXFGPXPIEXJA-UHFFFAOYSA-N	424.859	5.256	30	20	HKED	
N#CCn1c(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)cc2ccccc21	609216633	OKZRHTHXZNPVQD-UHFFFAOYSA-N	407.445	5.352	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H](C)c1ccccc1	609404075	SGPNCVIOYMFQCW-SFHVURJKSA-N	409.555	5.021	30	20	HKED	
Cc1ccc(-c2nc(NC(=O)c3ccc(C#N)nc3)sc2-c2ccc(C)cc2)cc1	609640837	ZPYDBQDLKWZUMT-UHFFFAOYSA-N	410.502	5.613	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	609959699	PJHVDTUKSULHCN-OAHLLOKOSA-N	418.261	5.515	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	610095284	OPGTZMYLZUVAGC-QHCPKHFHSA-N	400.482	5.751	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(C#N)c1	610317829	ISVDEIIGQWBDCE-AWEZNQCLSA-N	402.420	5.060	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC4(CC3)OCc3ccccc34)cc2)cc1	610742365	GNYRKMMOCWDANC-UHFFFAOYSA-N	424.500	5.207	30	20	HKED	
CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCCO[C@@H]1c1ccccc1	611266768	KXPBJXOBBDQCFW-JYFHCDHNSA-N	414.553	5.063	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12	642280821	CCSJFRGBWAJELB-INIZCTEOSA-N	410.458	5.298	30	20	HKED	
CC(=O)Nc1ccc(C)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	682010987	JFRRTCIEDYBUNE-OAHLLOKOSA-N	417.412	5.072	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1Cl	726468344	RIRCXAQOGLKVCK-UHFFFAOYSA-N	409.864	5.592	30	20	HKED	
O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)CCc2sccc21	726891830	JWVNCIJZBVBTIZ-WEVVVXLNSA-N	414.118	5.191	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cs1	727626912	IRAXAYCYFHAOJL-LJQANCHMSA-N	411.486	5.233	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1	731288376	RMMFHCFENSWQDP-GBESFXJTSA-N	402.906	6.083	30	20	HKED	
N#CCOc1ccc(COC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc1	733428116	QGQKIAMOFOGHMS-UHFFFAOYSA-N	403.400	5.163	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C3SCCS3)c2)c1	733842839	BNZUPVPFOXNJGK-SFHVURJKSA-N	413.568	5.168	30	20	HKED	
Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cs2)cc1	735231880	CRYKQVQGSKVTJP-DHZHZOJOSA-N	419.474	5.011	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1F	735396530	PQJJTTAHYYBXFU-HXUWFJFHSA-N	424.834	5.555	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(F)cc3Br)c2)s1	739600049	RUBUSVAFXKGGGP-UHFFFAOYSA-N	415.287	5.118	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)c1ccccc1SCC#N	740597481	KXSIIPBISPNFEU-MRXNPFEDSA-N	408.548	5.576	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	744027234	NIPMQPMNXMGHQM-SUMWQHHRSA-N	420.456	5.057	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cc1	744520077	GVUSLCWTLBPSBN-UHFFFAOYSA-N	401.447	5.002	30	20	HKED	
CCn1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc21	748489267	CBKFPAPYIVXIQZ-FQEVSTJZSA-N	410.502	5.075	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cs1	749451677	HPIGXLUGRSZOKL-UXBLZVDNSA-N	419.481	5.653	30	20	HKED	
Cc1nc2ccccc2c(=O)n1N=Cc1ccccc1Oc1ccc(F)cc1Cl	763409570	XNUGVADPTHCJTK-UHFFFAOYSA-N	407.832	5.172	30	20	HKED	
N#CCOc1ccc(CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1	765346306	CVFZMPQIZIOFKA-UHFFFAOYSA-N	418.566	5.569	30	20	HKED	
COc1ccc(-c2noc([C@@H](C)SCc3cc(Cl)ccc3OCC#N)n2)cc1	768499674	BMLZTNNEQMTVRL-CYBMUJFWSA-N	415.902	5.295	30	20	HKED	
N#CC1(c2ccc(COC(=O)c3sc(-c4ccccc4)nc3C(F)F)cc2)CC1	777151048	AADUDJOAYMHQNU-UHFFFAOYSA-N	410.445	5.660	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1	780676167	ZPHWBSRWXXHZLI-RDTXWAMCSA-N	414.303	5.109	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)n1	784524029	JAFVNSSDCOMGMR-OAHLLOKOSA-N	408.445	5.364	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](C)c1c[nH]c2ccccc12	786315091	WRKFZDALXKAMQU-OXJNMPFZSA-N	401.510	5.134	30	20	HKED	
C[C@@](C#N)(NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C1CC1	788599112	ZTZDNNPYTDRHHO-AWEZNQCLSA-N	416.519	5.141	30	20	HKED	
Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc2occc2c1	794887824	VGMYAPBRLBYYIQ-UHFFFAOYSA-N	419.293	5.081	30	20	HKED	
CC(C)(COCc1ccccc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	799206494	JLJPPOCBEAASBF-DEOSSOPVSA-N	413.521	5.459	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2C)cs1	807991711	SBUCWWKWXKVUKU-UHFFFAOYSA-N	423.498	5.107	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)c1	808818257	KXEOQHLYCMZNNM-UHFFFAOYSA-N	404.297	5.307	30	20	HKED	
COc1ccc([C@H](OC(=O)Cc2cccc(OCC#N)c2)c2ccc(Cl)cc2)cc1	810635022	ZFDYLZNXUGUWCY-XMMPIXPASA-N	421.880	5.126	30	20	HKED	
O=C(c1cc2ccccc2n1Cc1ccncc1)N(O)Cc1cccc2ccccc12	901371044	LENCGBHAAGTDSO-UHFFFAOYSA-N	407.473	5.269	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)c1	904633499	DTPVSPVYMOFNOR-RBUKOAKNSA-N	402.454	5.226	30	20	HKED	
N#Cc1ccc(Oc2cccc(-c3nc(-c4ccc(Br)cn4)no3)c2)cc1	904850595	YVSDEMHSKBFNOA-UHFFFAOYSA-N	419.238	5.225	30	20	HKED	
Fc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2nc3ccccc3s2)o1	916319879	QYGOJSHPIOUYGS-UHFFFAOYSA-N	421.482	5.125	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCSC(F)(F)F)cc1Cl	916683764	IQQUQQYZSNVGTD-HNNXBMFYSA-N	413.852	5.370	30	20	HKED	
N#CCOc1cccc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)c1	917643358	FUXDABYHYUDGLR-DEDYPNTBSA-N	402.500	5.148	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2csc(-c3ccc(F)cc3)n2)SC1=S	917644089	AHNUYSYSVZZLQT-MFOYZWKCSA-N	423.519	5.227	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccc(C)cc3C)n2)cc1	920140907	CUGJRQCHSLPPEU-SFHVURJKSA-N	408.548	5.404	30	20	HKED	
CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1	1789004072	QUHZLJBBKFTWBS-NRFANRHFSA-N	422.550	5.135	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)C(C)C	1793204646	CLVNMQJXCFOLNV-KAOXLYBCSA-N	410.602	5.057	30	20	HKED	
Cc1cnc(/N=C(\O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)s1	10555989	AWOMPRRYUXAFEO-UHFFFAOYSA-N	405.888	5.801	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)s3)n2)cc1	46706711	ZFYLJRVJEXDXQH-LBPRGKRZSA-N	403.326	5.433	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	46879943	IGENAADSYDMILG-QGZVFWFLSA-N	415.493	5.585	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)c3c(C)noc3n2)c(C)s1	63326201	SOVDGUXYJOFGOF-UHFFFAOYSA-N	402.479	5.025	30	20	HKED	
N#CCCN(C(=O)CCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)c1ccccc1	110930475	ASLHWOMESJQFAV-SANMLTNESA-N	417.553	5.151	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1OC	137680313	DIVKOSYIVRLDIW-BPOBUFBUSA-N	420.534	5.247	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cccc(OCc3ccccc3)c2)cs1)C1CC1	217203038	FTOWLVXRXKZXKX-JLHYYAGUSA-N	418.518	5.134	30	20	HKED	
N#C[C@@H](C(=O)Cc1c(F)cccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	301767155	WSZPVMXUSQCXOT-AWEZNQCLSA-N	405.281	5.675	30	20	HKED	
N#C[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)c1cccc(Cl)c1Cl	303369316	JOALMNQOYCKSOC-OAHLLOKOSA-N	402.306	5.035	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	303504186	RYHAGGLYLKZCPV-XYPHTWIQSA-N	404.457	5.699	30	20	HKED	
Cc1cnc(-c2ccccc2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[nH]1	427192300	LISMGJIJFBOVJH-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
CC[C@@]1(CO)CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	429356267	UXISDSNGEWODQV-JOCHJYFZSA-N	413.905	5.020	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2c(C(=O)c3ccco3)oc3ccccc23)c1	429970421	PMQXTPKIYYXWOK-UHFFFAOYSA-N	402.431	5.125	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)s1	430598517	SSNASIGWSVPIPB-SFHVURJKSA-N	418.522	5.575	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1Cl	432174760	HMTMQXZFSQFVNB-CYBMUJFWSA-N	404.297	5.459	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1cc(C(F)(F)F)on1	433149715	JWGSMQRQRQPFKH-LLVKDONJSA-N	412.437	5.144	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1	434150213	KHDXQAIMXCFKGM-KRWDZBQOSA-N	417.431	5.138	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	437786405	CEQFTHREQJRHDB-FCHUYYIVSA-N	416.456	5.317	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1	437831696	CKRTWGPNIQSMET-YKSBVNFPSA-N	417.553	5.158	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	438461623	QEWJJVDATHAUNT-UHFFFAOYSA-N	423.582	5.584	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1F	438653223	XDPBMDFHQIYCMV-UHFFFAOYSA-N	407.367	5.296	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)N[C@H](CCC#N)c3ccccc3)s2)cs1	438844716	ZERNIVNKVSYMDR-GOSISDBHSA-N	410.568	5.067	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1ccc2ccccc2c1	439788639	ITYSGPLCCFQOHR-SFHVURJKSA-N	407.473	5.949	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H]3CCC[C@H]3c3ccccc3C(F)(F)F)o2)cc1	445994852	XLUHBKLFCYOWHF-HKUYNNGSSA-N	412.415	5.053	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21	461963032	QREOFJDIUXFISR-QHCPKHFHSA-N	419.573	5.115	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc(-c2ccccc2)nc1C	462037296	INHXTRBCGWAYQC-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC(c4cccc(Cl)c4Cl)CC3)o2)cc1	463358857	OOQAVDREUZIMAJ-UHFFFAOYSA-N	413.308	5.295	30	20	HKED	
CC(C)Cn1ccnc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	466073621	DHTHZQPKWYCZOS-HXUWFJFHSA-N	421.932	5.170	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1-c1ccccc1	468278310	RMQQWKVUCIUYSM-UHFFFAOYSA-N	405.885	5.167	30	20	HKED	
COc1ccc2c(c1)[C@@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCS2	469060781	RGQHAJCGJXVICK-NRFANRHFSA-N	421.566	5.317	30	20	HKED	
N#Cc1ccccc1OCC(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl	469887433	GIJWLIIWGWPCDP-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-]	476110037	NKGHKBCFVIRUOI-AWEZNQCLSA-N	402.878	5.506	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1	476144609	JIBMQAYNUOEPEN-UHFFFAOYSA-N	413.443	5.995	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1	477108526	BHBNFGWKMVCZFV-NSHDSACASA-N	409.736	5.749	30	20	HKED	
N#CCCn1ncc(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)c1-c1ccccc1	477366593	OBGKJUCQMGTNPE-UHFFFAOYSA-N	416.912	5.047	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccccc2)c1CCC	480272669	YBZFBFPMQVORKG-UHFFFAOYSA-N	420.561	5.212	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[C@@H]1C(F)(F)F	482064440	WKDALLWPFLCUDX-IBGZPJMESA-N	402.416	5.401	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)sc1-c1cccc(Cl)c1	483189234	BNOOTPSOKVGCCP-INIZCTEOSA-N	403.894	5.810	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)ccc1-n1cccn1)c1nc(-c2ccc(Cl)cc2)cs1	483460200	KGNMQRIKKICLIZ-KRWDZBQOSA-N	422.872	5.278	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1	487394420	VSAILTOQRHMWMA-LJQANCHMSA-N	412.415	5.056	30	20	HKED	
COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OCCCC#N	494100999	RCWRRJOVCMOLGH-FOWTUZBSSA-N	408.479	5.003	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]4CCC[C@H]43)s2)c(C(F)(F)F)c1	496312440	NVXNOGJGTALYRY-SUMWQHHRSA-N	420.460	5.031	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c1	496672634	VBLVZMOKYNUFGJ-SFHVURJKSA-N	406.869	5.013	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	497896263	DXVIVBKLRAZZHR-SBUREZEXSA-N	419.912	5.012	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C1CC1	498303245	INCKIBAEXCKPBF-UHFFFAOYSA-N	404.445	5.397	30	20	HKED	
CC1CCN(c2cccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)CC1	503461578	LTGDKPGIPBMLPF-UHFFFAOYSA-N	400.526	5.116	30	20	HKED	
N#Cc1cc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)ccc1Cl	503469933	YXPBQHUTWADNFL-UHFFFAOYSA-N	409.820	5.411	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc(-c2ccncc2)cs1	505700449	JTGINVUDDAIQHT-CYBMUJFWSA-N	424.457	5.097	30	20	HKED	
CC(C)(C(=O)NCc1ccccc1COCc1ccccc1)c1cc(F)cc(C#N)c1	506476843	IVASXNYQTBKKIW-UHFFFAOYSA-N	416.496	5.008	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(Cc1cc(Br)ccc1F)C(C)C	509968917	IKNOVBJJEXCODK-UHFFFAOYSA-N	404.283	5.211	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1Cl	510022615	FKZHYMHCPYYQNH-JOCHJYFZSA-N	401.897	5.586	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)s2)cc1	510177243	SNJVQWMYVKUSKM-MRXNPFEDSA-N	419.525	5.347	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC)c2ccc(Cl)cc2)cc1	510536378	DMWNYKUFMISNGV-OAQYLSRUSA-N	411.933	5.427	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	512405577	LVXAJHBGEGMHEZ-UHFFFAOYSA-N	413.424	5.684	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(OC(F)F)cc2)nnc1-c1ccc(OC)cc1	513251430	AQHOMSCTDWKMDU-CQSZACIVSA-N	417.481	5.594	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC3CCN(c4ccc(C#N)cc4)CC3)cc2)cs1	513760437	IXPIORONKTUGAR-QGZVFWFLSA-N	402.567	5.310	30	20	HKED	
COc1c(Cl)cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Cl	513967905	SAFVXNVWLYPROJ-UHFFFAOYSA-N	406.313	5.564	30	20	HKED	
COc1cccc(COCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	515713650	LUFXHGDYCZIWRY-UHFFFAOYSA-N	422.868	5.168	30	20	HKED	
CCOc1ccc(S(=O)(=O)Nc2ccccc2SCCC#N)c2ccccc12	518645472	GVEGPQGNOHFGRC-UHFFFAOYSA-N	412.536	5.045	30	20	HKED	
CCCOc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	518848082	XHROLHBKEGOTMV-LJQANCHMSA-N	419.308	5.126	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1Sc1nc(C(F)F)nc2ccccc12	519480623	IEIZDSSLVIBYQB-UHFFFAOYSA-N	409.465	5.087	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)[C@@H](CC)c2ccccc2)cc1	521209138	SJNACYUCCMXCII-QHCPKHFHSA-N	405.542	5.506	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)N[C@@H](C)c2ccc(C#N)cc2)cc1OC	522840891	ABCSJJCJPCYVCN-CYFREDJKSA-N	400.522	5.519	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C	523768049	CZKZGRUTKLKGIE-SIKLNZKXSA-N	411.505	6.069	30	20	HKED	
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	524622835	NFDKGQVIOOSXEE-VQTJNVASSA-N	422.598	5.209	30	20	HKED	
N#CCc1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1	535366671	BNRIBGGADJDILJ-UHFFFAOYSA-N	410.304	5.297	30	20	HKED	
CC(C)Cn1cc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C(F)F)n1	535611406	AFDILBYDKPUKBP-ZDUSSCGKSA-N	407.490	5.515	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	537007986	OCYXZKNLOFXXRZ-UHFFFAOYSA-N	408.505	5.217	30	20	HKED	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1	537654734	GJZPNBWIXWHDNY-ADSBAMQRSA-N	418.562	5.068	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1	540311137	LSTBVKIUKCYRSJ-SANMLTNESA-N	418.500	5.209	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2cccnc2)cc1	540433607	GYMAAKJEJJDUGL-SFHVURJKSA-N	403.551	5.316	30	20	HKED	
C[C@H](N[C@H](C)c1nc(-c2cccs2)no1)c1ccc(-c2cccc(C#N)c2)cc1	541077133	LWUZAGAIBUDORH-JKSUJKDBSA-N	400.507	5.749	30	20	HKED	
N#Cc1c(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)sc2c1CCCC2	541268243	VBTBASXVXOVLIY-UHFFFAOYSA-N	417.412	5.425	30	20	HKED	
COc1cccc(CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1OC	543858483	SNEXDEPYKULNIH-SFHVURJKSA-N	414.505	5.052	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc([N+](=O)[O-])cc1F	544433216	NSOWVAGKTIDCGX-CQSZACIVSA-N	405.385	5.140	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(OC(F)F)c1	555007396	HCVNACZVQGEUGW-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1cc(C)on1	555245959	VEASADXJEFAPOR-GOSISDBHSA-N	417.513	5.080	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1	562083898	FWYQLDINXLQSOT-HNNXBMFYSA-N	403.448	5.601	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2sccc2[C@H]1CC	564383969	FOGUWDPRDOHZTB-DWLFOUALSA-N	420.582	5.285	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N(Cc3cccnc3)c3ccc(Cl)cc3)on2)c1	581065647	ZNKVBVWDXWQZMC-UHFFFAOYSA-N	414.852	5.109	30	20	HKED	
CC(C)(C(=O)NCc1ccc(C#N)cc1)c1csc(-c2c(F)cccc2Cl)n1	582934054	WBYKGUSWTMQNOQ-UHFFFAOYSA-N	413.905	5.068	30	20	HKED	
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589364542	FFLBNYJWCNLCQT-QUCCMNQESA-N	412.493	5.231	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1	589381893	AJCOFKCLWSYUEC-UHFFFAOYSA-N	419.378	5.237	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cccc(CC#N)c2)c1	603734221	XJDTYMNDNPOUKX-IBGZPJMESA-N	411.505	5.115	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOc1ccccc1C	603738818	AFZAIYUPRKAMGU-UHFFFAOYSA-N	401.466	5.160	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1	604487881	ZTQCFMMBUMRYBG-AWEZNQCLSA-N	407.392	5.072	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	604530085	KPXRLCSUBVSRDE-UHFFFAOYSA-N	423.847	5.525	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606805289	ANOKVIJNTUJOGN-OCCSQVGLSA-N	423.376	5.039	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1c(Cl)cccc1Cl	609385236	GGFMYOFXXYNZDA-CQSZACIVSA-N	422.381	5.458	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1C	609535298	HCHVONFUNKXEQY-LADGPHEKSA-N	412.537	5.147	30	20	HKED	
CCc1noc([C@@H](C)SCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)n1	609901441	WYHWYUVKFMFFQL-OAHLLOKOSA-N	409.511	5.086	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609919443	ROMRJTOPAJVRFM-BEFAXECRSA-N	420.513	5.155	30	20	HKED	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	610019565	UAWVATDTZWWJHV-MRXNPFEDSA-N	401.441	5.641	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)s1	610177351	GONPBKZPTAZINO-KRWDZBQOSA-N	419.550	5.298	30	20	HKED	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610224217	JMBRAXKNAPKMHL-OYHNWAKOSA-N	420.944	5.163	30	20	HKED	
Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	610729721	HLWNEZBQMDNOLH-OAQYLSRUSA-N	420.900	5.023	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(OC(F)(F)F)cc1	611092888	KZBGISLCCVMQCI-VIFPVBQESA-N	403.187	5.255	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(F)cc(Br)c1	615870610	MLRUDLHXMUZVMK-UHFFFAOYSA-N	417.731	5.201	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)N[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cs1	619503967	MUFFECLWMANSAD-KGLIPLIRSA-N	424.957	5.321	30	20	HKED	
Cn1ncc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)F	677627801	WFMXZPQCUOXDIA-UHFFFAOYSA-N	402.245	5.039	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	727626745	FGJZVIHHDGQIDU-HSZRJFAPSA-N	414.505	5.299	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)N[C@@H](C)c1ccccc1	727978916	OLVFJHJKGACJSY-SFHVURJKSA-N	401.535	5.493	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Oc5ccc(C#N)cc5OC)(C4)C2)C3)cc1	728083381	ORFGZYFBKKODEB-JKRLWXMKSA-N	417.505	5.019	30	20	HKED	
C#Cc1cccc(N(C(=O)Cc2csc(-c3ccc(OCC)cc3)n2)C(C)C)c1	728246610	AELLCRQEUDOEFU-UHFFFAOYSA-N	404.535	5.174	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	728408921	JRZCTJWAMHHTKM-CVDCTZTESA-N	406.485	5.469	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)c1OC	730546300	BTPFKTWHCNDESY-JOCHJYFZSA-N	418.468	5.121	30	20	HKED	
N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2ccccc2o1	731137051	XVHOQFJMZXNLAF-OAHLLOKOSA-N	415.312	5.339	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1	731644950	CXCKKIZBNVHDNA-KRWDZBQOSA-N	419.403	5.047	30	20	HKED	
C=CC[C@@H](NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccncc1	734237108	LFRIOHUUBBSZPG-ISKFKSNPSA-N	422.981	5.991	30	20	HKED	
C=CC[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccncc1	734509613	MKLKTDJALVJLTM-HXUWFJFHSA-N	409.873	5.843	30	20	HKED	
C#Cc1cccc(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	743083580	AFFUHAHGGZHDCO-UHFFFAOYSA-N	401.413	5.132	30	20	HKED	
CCN(c1ccccc1)c1ccc(CNC(=O)Nc2cccc(OCC#N)c2)cc1	743102633	KCWGMKCYGMLFOD-UHFFFAOYSA-N	400.482	5.069	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F	744016496	NSZMJZGQSHFUNF-CXAGYDPISA-N	412.411	5.581	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1C(F)(F)F	744117094	UCLKRONEFUQTNK-ZHZWZMEUSA-N	404.388	5.734	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(COC(=O)c2ccccc2OCC#N)n1)c1ccccc1	744290482	ANBNHFCZNDREQH-MRXNPFEDSA-N	422.868	5.134	30	20	HKED	
C=C(C)COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC	747041804	SZPHJGMZGDXRMF-UDWIEESQSA-N	411.548	5.052	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)c1ccncc1	748973354	VLNWCEMNCLEVKP-XZOQPEGZSA-N	423.919	5.922	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1	752164536	NFHFJHPFXPEQLT-JZHDPFOFSA-N	415.905	5.901	30	20	HKED	
Fc1ccc(C(CCSc2ccccn2)=NNc2ccc(C(F)(F)F)nn2)cc1	754709283	OHBFTTHDBQGTGN-UHFFFAOYSA-N	421.423	5.028	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	758693278	CGGILCCDGQCDMV-QXMHVHEDSA-N	421.422	5.214	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccccn1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	759218001	OYCBULWRJKKUNV-GXYHREHHSA-N	405.567	5.205	30	20	HKED	
N#C[C@H](C(=O)CCCn1ccc2cc(Cl)ccc21)c1nc(-c2ccncc2)cs1	760971542	ALRAZMHSCOYASZ-GOSISDBHSA-N	420.925	5.470	30	20	HKED	
Cc1nc([C@H](C)ON=C2CCN(C(=O)C(C)C)CC2)oc1-c1ccc(Cl)cc1	763171851	SGQYISFNIBOMNQ-HNNXBMFYSA-N	403.910	5.015	30	20	HKED	
COc1cc(C#N)ccc1CSc1nn(-c2ccc(Cl)cc2)c(=S)s1	766283638	CSSMSZDMVHVQHU-UHFFFAOYSA-N	405.957	5.489	30	20	HKED	
FC(F)Oc1ccc(-c2nnc(S)n2N=CC2CCC(C(F)(F)F)CC2)cc1	767367296	JOCXSEIZWWDFOE-UHFFFAOYSA-N	420.407	5.038	30	20	HKED	
CN1C(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(=O)C12CCCCC2	771817350	IZCOYSODHFDMDS-LJQANCHMSA-N	407.901	5.097	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	773430409	YPHQBMRXBKWGMQ-XCLFUZPHSA-N	408.851	5.891	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1F	780832461	PZEKSNYJKWHTDB-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
C=CC[C@@]1(C(=O)Nc2cnn([C@H](C)CC)c2C2CC2)CCCN1C(=O)OC(C)(C)C	790835584	JTRGNSLHPYZZJE-MWTRTKDXSA-N	416.566	5.016	30	20	HKED	
COc1ccc(Cl)cc1NC(=S)N(Cc1ccccc1)c1ccccc1C#N	792677899	QHWIBNMUJQFNMQ-UHFFFAOYSA-N	407.926	5.624	30	20	HKED	
C[C@@H](Cn1ccc2ccccc21)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	796888038	JWQNLIHFCGGSGX-JXFKEZNVSA-N	410.502	5.149	30	20	HKED	
CC(C)(CCC#N)COC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1	798878273	ONAFYUMFEVDCQA-VWNXMTODSA-N	418.537	5.040	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(C(F)(F)F)nc1Cl	800589986	GKTOUAFABBYQQH-UHFFFAOYSA-N	416.680	5.086	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)cc1C#N	806363458	ABSQVTTXRAVNSO-IERDGZPVSA-N	406.486	5.132	30	20	HKED	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813216478	SVEIXFAEIQQMNP-YWZLYKJASA-N	410.395	5.411	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc1	915804236	DNZYSIQTPNAMRD-UHFFFAOYSA-N	421.519	5.355	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)cc1Br	915985052	GXTMRMLWFUFIKA-XBXARRHUSA-N	424.294	5.328	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(Br)s2)ccc1OC(F)F	916134225	HSLBTXWFFBZPSK-HWKANZROSA-N	403.244	5.407	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C	916888280	UONLMNDSNVIYKL-ROSSNEFBSA-N	414.477	5.287	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)c1	917046590	MKICUYAWMXEMRW-QGZVFWFLSA-N	424.953	6.104	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)c1	920065459	SDAZWRKIQLXSDI-ZHACJKMWSA-N	400.265	5.034	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3cccc(C)c3)n2)cc1	920143840	TUAGNFOPJMFMPQ-HXUWFJFHSA-N	406.507	5.163	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832489350	TZQVVKKQLODIEF-XZOQPEGZSA-N	414.634	5.201	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1	15188020	ZJAAMMKAJVNNCL-UXBLZVDNSA-N	414.433	5.011	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1nc2ccccc2n1-c1ccccc1	62903270	NMJJUFAZEBLYHR-UHFFFAOYSA-N	420.516	5.045	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)s2)c(C)c1	64100366	MOUWGUJFCXXQCN-INIZCTEOSA-N	415.440	5.639	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N	146052883	BWTMPPXXSUPDOV-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(F)c3)s2)ccc1OC	237021271	LTHBFPRKEJFXGT-IBGZPJMESA-N	410.514	5.534	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1	303289910	MFTNIOAHXPVZCT-UHFFFAOYSA-N	420.944	6.012	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1csc2ccccc12	303402049	RHQAMNTZIYWBHG-MRXNPFEDSA-N	409.580	5.224	30	20	HKED	
CCc1nc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1	303465383	MLFFDCQIADXISF-INIZCTEOSA-N	420.538	5.233	30	20	HKED	
N#CCC[C@@H](NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	429070864	OMIAXGGXOLMMEG-HSZRJFAPSA-N	418.541	5.050	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)oc12	431775644	YOWINSALFRSIGH-FXAWDEMLSA-N	405.498	5.627	30	20	HKED	
N#CCCCOc1cccc(NS(=O)(=O)c2csc3ccc(Cl)cc23)c1	432174517	CWSCIJVKJLQCJB-UHFFFAOYSA-N	406.916	5.038	30	20	HKED	
N#CCCn1cc(CNCCC(c2ccccc2)c2ccccc2)c(-c2ccncc2)n1	433306887	SJNHUSJWOPZDFF-UHFFFAOYSA-N	421.548	5.171	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1	435064847	HDUUXAUAWOROSS-QFIPXVFZSA-N	411.892	5.537	30	20	HKED	
CCOc1ccc(-n2c(SCCCCC(C)(C)C#N)nnc2-c2cccnc2)cc1	436109429	AGGWGRBHGIHWFR-UHFFFAOYSA-N	421.570	5.540	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)cc1	438542399	TYIWCIRJOBLESL-GOSISDBHSA-N	405.420	5.145	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)N[C@@H](CCC#N)c1ccccc1	438855670	JVKFYGZMASOGGA-UGKGYDQZSA-N	403.551	6.066	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	439109601	FYLCRJOQTAVFOO-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1	439316757	NTXZBDNUOCGIKZ-AWEZNQCLSA-N	411.355	5.056	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCC1CCC(C#N)CC1	440919514	DMUKTMNQEVHXKB-UHFFFAOYSA-N	405.502	5.091	30	20	HKED	
C=CCOCCCC(=O)Nc1c(C)cccc1-c1nc2ccc(F)cc2n1C(C)C	443885282	ZEYYCTRUYRANSU-UHFFFAOYSA-N	409.505	5.653	30	20	HKED	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	444915811	ZYEOTPZQADASQJ-UHFFFAOYSA-N	421.476	5.174	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1	448085839	UPFUAXYXQIKAJK-MRXNPFEDSA-N	416.319	5.517	30	20	HKED	
Cc1cccc(O[C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	461431654	RTSYBECBNPOIMM-LJQANCHMSA-N	416.546	5.356	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccccc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O	463033804	MJPBJOMUYYXVOC-ZDUSSCGKSA-N	401.513	5.022	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	468168935	NFFKYPIRNZHXBQ-LJQANCHMSA-N	420.513	5.040	30	20	HKED	
O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N(CCC(F)(F)F)CC(F)(F)F	468514374	HQTOFLGDJCIWDR-UHFFFAOYSA-N	422.247	5.023	30	20	HKED	
CC(C)CO[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	469511621	FDAALMQVTBNHRB-FPOVZHCZSA-N	411.933	5.274	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	470490966	CLWDJKGDYYWMQF-HXUWFJFHSA-N	412.537	5.549	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)c1	470886285	OFCJSJUHHGFHLG-NLFFAJNJSA-N	423.516	5.005	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	471204596	ZDWCWNQYBWNXQD-XWIAVFTESA-N	421.850	5.800	30	20	HKED	
N#CC[C@H](CC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1	474424904	GNUZDSYOLTWEMJ-ISKFKSNPSA-N	407.517	5.504	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1cccc2c1CN(c1nccs1)C2	475565642	FFFOXTMNIDAUNL-UHFFFAOYSA-N	418.566	6.159	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](NC(=O)c1ccc(OCC)cc1)C(C)C	476076390	AIMNXLFMCGKEME-HSZRJFAPSA-N	422.569	5.330	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cc(-c2nc(CC)no2)ccc1C)c1ccc(F)c(F)c1	481026382	OIUUMGQDPYYDSE-HXUWFJFHSA-N	412.440	5.325	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)C(F)(F)F	486463236	SIWDDTFGJMUVAT-HXUWFJFHSA-N	403.448	5.072	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	486834347	MYYVFVLHJBUGFA-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCCC2)cc1C	489475779	DGVPSAICIILXNF-UHFFFAOYSA-N	422.529	5.504	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(C)ccc3C)o2)cc1	489777396	JVVRTGLOOIYNAJ-INIZCTEOSA-N	409.511	5.038	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2ccccn2)cc1	497904320	PDCAUHKSSDYLOP-HSZRJFAPSA-N	406.913	5.552	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)c1ccc(-c2cccc(C#N)c2)cc1	498947428	LRRWWMZLAIHOLA-UAVUOLJFSA-N	416.546	5.414	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1	499200933	FGACWQOANFIESQ-UHFFFAOYSA-N	417.578	5.710	30	20	HKED	
N#C[C@@H](C(=O)c1cn2ccccc2n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	499590280	LQLTWPHBARUYTE-ZDUSSCGKSA-N	413.289	5.255	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3cc4ccccc4o3)c2)cc1	501458014	ZGYGEDGDQHOQTP-UHFFFAOYSA-N	410.473	5.649	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)NCc1cn(CCC#N)nc1-c1ccccc1	503922798	YVZAXWKMCWJGEH-QGZVFWFLSA-N	412.459	5.203	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)o2)cc1	505516659	ZXKFTENMFFJFAC-KRWDZBQOSA-N	414.292	5.271	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1NC(=O)c1ccccc1	506561204	IYNDVOIPWBPQOG-UHFFFAOYSA-N	415.518	5.312	30	20	HKED	
COc1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1OCCCC#N	506709776	ADSHPEPQIQTVGI-UHFFFAOYSA-N	403.526	5.239	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2cc(F)cc(F)c2)cc1	508290068	RFKGMQJZGLXXCF-UHFFFAOYSA-N	423.419	5.002	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SC[C@H](OC)c1ccc(Cl)cc1	509074858	NZDBDZUIHWHTSN-IBGZPJMESA-N	415.946	5.176	30	20	HKED	
C=CCOc1cccc(N[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1	513188940	SSBOHDHLOBEUPP-DEOSSOPVSA-N	402.494	5.360	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Br)c1	514754325	RNJJZTUGQYPTEZ-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1	515225656	ORPHSIWFANQECD-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	517205547	FHSAFPHIIGZMIT-JOCHJYFZSA-N	414.465	5.123	30	20	HKED	
CC[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc2c(c1)OCCO2	517537093	DWBLTNSGBSYOTM-DEOSSOPVSA-N	414.505	5.149	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]3Cc3ccc(F)cc3)o2)cc1	517853425	VIQQHNYBHJHIIJ-OAQYLSRUSA-N	418.468	5.107	30	20	HKED	
COCc1cccc2sc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)nc12	517857256	VXJBIOXSZDFLSS-UHFFFAOYSA-N	415.474	5.359	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	517983599	VMADUWFYFUBAKU-LJQANCHMSA-N	414.619	6.273	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(OCC(F)(F)F)c1	518169442	OZVFCVUDVQMFJF-CQSZACIVSA-N	423.460	5.201	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2)cc1	519028826	YLBZNVBPWOONNI-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl	520940366	PCHVRSFXVIFKBC-ZIAGYGMSSA-N	422.381	6.613	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21	523218616	PTLQDUFBQWVGMP-JOCHJYFZSA-N	404.535	5.637	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1	523380154	RROZQNIRKFMTAE-UHFFFAOYSA-N	422.444	5.068	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(-c3nccs3)cc2)CC1	523628093	BHCJRIBVJPKZHC-UHFFFAOYSA-N	418.522	5.193	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-c2nc3ccccc3s2)o1	523759401	SCNWXAVWKKECHO-UHFFFAOYSA-N	400.385	5.454	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1	524385034	DYNOBLWDEBBNCB-UHFFFAOYSA-N	417.799	5.039	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	524506085	XIYMSNHMSUGSCS-UHFFFAOYSA-N	413.477	5.128	30	20	HKED	
Cc1ccccc1Nc1nc2sc(C(=O)Nc3cc(CC#N)ccn3)cc2s1	531924507	FFXHNNJHOMBFOC-UHFFFAOYSA-N	405.508	5.123	30	20	HKED	
C=CC[C@H](CO)CNC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	537057306	WFLDYUKKFRALEX-KRWDZBQOSA-N	424.520	5.038	30	20	HKED	
C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc(Oc2ccccc2)c(F)c1	538167903	SILLMBIAFGONBN-OAHLLOKOSA-N	409.486	5.231	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	539048306	DHUHWKLISXSFKZ-YWZLYKJASA-N	420.475	6.031	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	539679378	IWWHIJFBUZOKMA-HNNXBMFYSA-N	403.529	5.557	30	20	HKED	
COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)N1CCC(CC#N)CC1	541040396	BSQAXBQJBPVDAA-UHFFFAOYSA-N	417.918	5.013	30	20	HKED	
CC(C)c1csc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542049501	JNWRXUILZIQLQZ-MRXNPFEDSA-N	404.539	5.366	30	20	HKED	
O=C(N1CCC=C(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	544054700	VXAURZXPSHBKIE-GWJIENBWSA-N	413.377	5.194	30	20	HKED	
Cc1cc(-c2noc([C@H](C)NCc3ccc(-c4ccccc4C#N)cc3)n2)ccc1F	552979212	UQYFWXJSCIQBOA-KRWDZBQOSA-N	412.468	5.574	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(OCc2ccccc2)CC1	559009175	KQFCEVWEXSRBGR-UHFFFAOYSA-N	402.542	5.015	30	20	HKED	
CSC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSC1CCCCC1	561839297	DXWLTJPKPKHGBH-OAQYLSRUSA-N	402.585	5.374	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H](Cc3ccccc3Cl)C3CC3)ccc21	564670949	DDMRLAKJBCIIIP-QFIPXVFZSA-N	407.945	5.356	30	20	HKED	
COc1ccc(-c2ccc(-c3noc([C@@H](C#N)Cc4ccc(C#N)cc4)n3)cc2)cc1	574000750	JQLWFUVBNGRRGN-JOCHJYFZSA-N	406.445	5.134	30	20	HKED	
COc1ccc(-c2nc(CNc3ccc(Oc4ccnc(C#N)c4)cc3)cs2)cc1	589324414	IXZLWLGOCQCEOE-UHFFFAOYSA-N	414.490	5.490	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1ccc2ccccc2n1	602493436	DGZHXWNWCHAOAY-IBGZPJMESA-N	400.384	5.795	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC	603527421	PAUPFKBJHUJVEB-UHFFFAOYSA-N	400.906	5.060	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)sc2c1-c1ccccc1CC2	603992755	XTEMLHUILQMYOY-ZIAGYGMSSA-N	404.457	5.693	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccccc3F)cs2)o1	604201331	GEBRBQRBFMWIEU-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1c1c(F)cccc1F	604699460	SWRGPFAMXOCYJB-IIRVCBMXSA-N	415.324	5.094	30	20	HKED	
N#CCn1c(C(=O)N(Cc2ccccc2F)c2ccccc2F)cc2ccccc21	609228728	OAIHVMKRZJDASZ-UHFFFAOYSA-N	401.416	5.290	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(Br)cc1	609370939	KSVHQNGQZSOBKN-ZDUSSCGKSA-N	421.385	5.574	30	20	HKED	
CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1	609436337	ZIYBKJJMNGVRKP-JTSKRJEESA-N	423.582	5.095	30	20	HKED	
CCC(CC)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccs1	609436560	AOZFYAODKSCWCD-FOIQADDNSA-N	401.601	6.441	30	20	HKED	
N#C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1	609462435	JQTMJWPCFJGFDM-JOCHJYFZSA-N	408.423	5.608	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1Br	609592682	GBCQEQXXSGJXQG-NRFANRHFSA-N	421.294	5.023	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1CCOc2ccccc21	609786288	BUDLYAXUFAGSBI-CQSZACIVSA-N	420.456	5.606	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cn2)cc1	609927966	JNKGMPIRRFFGFL-HXUWFJFHSA-N	402.454	5.488	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1	609971251	RBWFBZSEWNUNCM-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)c1sc(-c2ccccc2)nc1C(F)F	611185534	DQIWDZGFYWBZHN-JOCHJYFZSA-N	411.477	5.393	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)cc1	613319219	WIKRGIRWTZPQAQ-IBGZPJMESA-N	418.909	5.448	30	20	HKED	
CC(C)Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	613404368	OVRYUTVPXLFBQG-OAHLLOKOSA-N	404.413	5.592	30	20	HKED	
O=C(c1ccc(-c2ccccc2F)o1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618297128	CHEHYQYJIGLYOH-GHMZBOCLSA-N	409.301	5.289	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2c1	680369016	XXDQYOYCGHXNJQ-HNNXBMFYSA-N	405.251	5.542	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1cnc2ccccc2n1	682995230	RNNZJIUZMSENIB-CQSZACIVSA-N	424.407	5.262	30	20	HKED	
CC(C)N(CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C	727133300	LNUZZBAANTWJFP-QFIPXVFZSA-N	421.541	5.316	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	727710424	LLDWTPFHKPBGDN-UHFFFAOYSA-N	409.348	5.098	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)c1	728005694	DGTXSXJSWOEBEE-UHFFFAOYSA-N	410.445	5.704	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F	730982502	QRNVNEZYITWUJZ-UHFFFAOYSA-N	410.901	6.404	30	20	HKED	
C=CC1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)CC1	732003180	UTMJAQDGERMLGS-UHFFFAOYSA-N	422.326	5.098	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc2c1OC(C)(C)C2	737421573	SEQLCJMZHQEQKO-UHFFFAOYSA-N	415.518	5.029	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2cncc(F)c2)cc1OCC	737446095	ODRBVRHURVMSTF-WAYWQWQTSA-N	408.267	5.067	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	741638329	LLGWRKNNCVBIEF-UHFFFAOYSA-N	417.440	5.042	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Cl)c1	744034481	IUWCFDABWZWNRL-SJKOYZFVSA-N	401.318	6.097	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@]12CCc1ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	744034659	JQRBLXMABGKDJL-FHJLPGHOSA-N	404.922	5.544	30	20	HKED	
Cc1sc(NC(=O)COC(=O)c2ccccc2-c2ccccc2C#N)c(C)c1C	744517520	ZMVHBUOSGFUUCY-UHFFFAOYSA-N	404.491	5.008	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(Oc3ccccc3)c2)cc1	749338304	OIZWBIGQKLBMCR-JOCHJYFZSA-N	413.477	5.178	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1	749361918	WRSWTTBDHBDQHZ-SFHVURJKSA-N	409.489	5.087	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)/C=C\c3cc(C)n(C4CCCCC4)c3C)nc12	750724103	MFHIIOIAXFQXMY-QJRAZLAKSA-N	401.514	5.080	30	20	HKED	
CC(=NNc1ncnc2sccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750935589	VWVUAWVXRKAROP-UHFFFAOYSA-N	404.339	5.565	30	20	HKED	
CCOc1ccc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2cccc(Cl)c2)cc1	752104346	LHTUZHQDQDVEAZ-BVZFJXPGSA-N	420.940	5.909	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1Br)c1ccncc1	756040385	SZWJZNWRSZFDBV-MOPGFXCFSA-N	400.320	5.008	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	757758909	AYERLHFPQATSNW-GOSISDBHSA-N	407.857	5.071	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1cc2ccccc2s1	758244255	YQQLNPDZSZNFLM-PBHICJAKSA-N	411.552	5.151	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(COC4CCCCC4)c3)CCO2)c1	761843665	SVMQHIPDRKZIBO-XMMPIXPASA-N	419.525	5.013	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1	766427947	OBBXOXZEDDWRGJ-IFMALSPDSA-N	407.558	5.278	30	20	HKED	
COc1ccc(NC2CCC(C#N)(c3ccccc3)CC2)cc1OCc1ccncc1	770402232	OFGXPOMYBPVXDC-UHFFFAOYSA-N	413.521	5.485	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1	772638618	ARJWYFMOMQLWBM-NRFANRHFSA-N	406.526	5.136	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(Cc4cccc(F)c4)CCC3)n2)cc1	774006048	KBQBBBNJJJEOOJ-FQEVSTJZSA-N	420.509	5.547	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C/C(=O)c1ccc(SC(F)F)cc1	774130011	IZAVCKYLWLEZGO-DHZHZOJOSA-N	416.898	5.344	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)OCc1csc(-c2ccccn2)n1	778181326	KLLNKNHADYZACW-UHFFFAOYSA-N	413.458	5.226	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	780179392	YBLGQICQDNELLD-YFXJRYMSSA-N	412.489	5.299	30	20	HKED	
CN(C(=O)CSc1ccccc1C(=O)OCCCC(C)(C)C#N)C1CCCCC1	781583937	NIVQFISKUBWFMM-UHFFFAOYSA-N	416.587	5.057	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1C(CC)CC	790293298	WQRAJZKTQNDLNZ-QFIPXVFZSA-N	400.526	5.714	30	20	HKED	
CCCNc1ccc(C#N)cc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F	795267410	XPKGRDRAXRLSNR-UHFFFAOYSA-N	410.827	5.103	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc2cc(C)ccc12	796633034	MKDJLRJUOIYPNA-CQSZACIVSA-N	412.898	5.141	30	20	HKED	
Cc1cncc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	796765993	WUILTYUCCGCEJC-INIZCTEOSA-N	416.333	5.629	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccncc2OCC(F)(F)F)cc1	798939637	RIISSDZHSUXMGG-AWEZNQCLSA-N	400.828	5.005	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C1\C[C@H](C(=O)O)c2ccccc2C1=O	806560203	JHPBSIPQFMLGCL-WMJZSHNHSA-N	400.478	5.008	30	20	HKED	
CC(=O)Nc1ccc(C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1F	809126352	LSNIJGIQWWELCJ-OAHLLOKOSA-N	423.284	5.263	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(C(F)(F)F)ccn1	813213414	LXXKSXKQGNVLCO-AWEZNQCLSA-N	416.296	5.166	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1	815636366	TZFLNZUXERRARR-QZTJIDSGSA-N	414.933	5.576	30	20	HKED	
N#Cc1c(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)[nH]c2ccccc12	904477874	OLECYHCDGWBYEK-UHFFFAOYSA-N	416.444	5.155	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OC)c1	915353192	RHQVZYUQFUVSGV-HSZRJFAPSA-N	415.493	5.023	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CC2(Cl)Cl)cc1Cl	915907676	CBPVWJGSCRIYRW-BBRMVZONSA-N	408.716	5.311	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(s1)CCCCCC2	916928215	WHNTYDPQEYXEJF-CQSZACIVSA-N	421.349	5.675	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCCc3ccccc3C2=O)cs1	917557992	KKNGMCFXNDMJMP-RGEXLXHISA-N	402.519	5.739	30	20	HKED	
COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(C)cc2)n1	917559484	JOJKRAXJZCZKGA-XYOKQWHBSA-N	406.507	5.349	30	20	HKED	
COc1ccc(OCc2nc(/C=C3\CSc4c(F)cccc4C3=O)cs2)cc1	920066017	QCVPABORIPROQK-UKTHLTGXSA-N	413.495	5.242	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCCc1nc2ccccc2s1	920101560	DXTGWZALEUKCHJ-QGZVFWFLSA-N	415.518	5.391	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3CC)cc2)CCC1	1787094839	CKNXRFAZHOPMFJ-NRFANRHFSA-N	417.553	5.160	30	20	HKED	
CC(C)CCC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1	1791256985	ZJRLJXXDDOVRSQ-ACCUITESSA-N	424.566	5.057	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCSCC3)cc2)CCC1	1792353460	AAKYRMJWQCMYTJ-NRFANRHFSA-N	412.599	5.032	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/Sc1ccc(C)cc1	1798386686	QICCPHWCIIEABN-KTGTYYRFSA-N	424.610	5.007	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCCCC(C)(C)C)n[nH]2)C1	1822114541	QACWKGCGKSWTNW-HXUWFJFHSA-N	414.594	5.365	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)c1sc2cc(F)ccc2c1Cl	7239750	FKFXGIRFCPOTDX-UHFFFAOYSA-N	404.919	5.229	30	20	HKED	
Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)c1	23603612	DLIAEIXYVZGUJA-UHFFFAOYSA-O	418.586	5.157	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1OCC	32614907	WVCPXYASQWKETD-UHFFFAOYSA-N	400.906	5.061	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	58499250	IABGZGLTQIQAOQ-UHFFFAOYSA-N	415.440	5.195	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)n1	61112030	BNPIUQMBNAIUNN-UHFFFAOYSA-N	404.539	5.003	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1	63390769	NZZKLODQSLDWDX-UHFFFAOYSA-N	415.468	5.496	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCc1coc(-c2ccc(Br)cc2)n1	63859836	BGTDTUJQFHZRTD-UHFFFAOYSA-N	419.662	5.217	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1	208017457	XQDPBBLYPKRHNA-NISQSXRWSA-N	422.513	6.052	30	20	HKED	
Cc1cc(F)cc2c(NCc3ccc(NC(=O)c4ccco4)cc3)c(C#N)cnc12	301347724	LDGGBPQPWGNWMZ-UHFFFAOYSA-N	400.413	5.011	30	20	HKED	
C[C@@H](Nc1nc2cccnc2nc1N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	301612481	FZAJOCWPYGWTKM-IAGOWNOFSA-N	419.492	5.114	30	20	HKED	
Cc1ccccc1-c1nnc(Sc2snc(Cl)c2C#N)n1Cc1ccco1	301922249	GJMIQUYBBOVFMA-UHFFFAOYSA-N	413.915	5.028	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	303148884	FSYXXGMYTJDHFL-FQEVSTJZSA-N	423.582	5.063	30	20	HKED	
C=CCN(C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc2c(s1)CCCC2	427244184	BVEVTLITMJFIED-UHFFFAOYSA-N	400.519	5.123	30	20	HKED	
CC(C)(C#N)CCCCN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1	428805682	NSVQIGDITVHQIE-RUZDIDTESA-N	404.602	5.268	30	20	HKED	
CCN(CCC#N)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	429083266	XDGNXLQVOOLQMV-UHFFFAOYSA-N	412.852	5.587	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	429720649	FLDHBQRXNZGUTG-WDEREUQCSA-N	419.478	5.051	30	20	HKED	
C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(NC(=O)c2ccccc2)c1	429963387	DTUMHIUVPHESQN-QGZVFWFLSA-N	415.518	5.046	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl	435487030	NKXHMOPMHPJXFM-JTQLQIEISA-N	419.330	5.185	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	435998501	VQDPKLXFKNYDLE-JOCHJYFZSA-N	414.509	5.243	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1F	437488555	XBFLSJUYIXAZKQ-UHFFFAOYSA-N	419.437	5.362	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)N[C@@H](CCC#N)c1ccccc1	438855663	JVKFYGZMASOGGA-KNQAVFIVSA-N	403.551	6.066	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccc(C(F)(F)F)cc1	442287086	AMJNTVWSNTWYOI-QZTJIDSGSA-N	406.452	5.373	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cc3)CC2)cc1	444235473	IQFHJKBTQODAFU-UHFFFAOYSA-N	414.415	5.050	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccccn2)cc1	461092361	YIQIPDLEKRTGIW-QGZVFWFLSA-N	403.507	5.307	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	461320262	XUEAXDZYDHEALZ-ZHRRBRCNSA-N	401.441	5.108	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1	462253660	AFCDJANDQVHFFF-URXFXBBRSA-N	413.477	5.392	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)c2ccccc2-c2ccccc2C#N)cs1	463973070	LODHOKPSVDDVFO-MRXNPFEDSA-N	405.523	5.051	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464464328	HDXIFSCCNMHVML-GOSISDBHSA-N	418.378	5.201	30	20	HKED	
Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)c(C)c1	464948066	GPEHOZUDYJAYIN-RBBKRZOGSA-N	401.535	5.339	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C	467428016	OGWWVTUJDLIXFY-UHFFFAOYSA-N	421.541	5.133	30	20	HKED	
Cc1c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc(C(F)(F)F)c1F	468014777	XTBSTHDLTMAPLX-UHFFFAOYSA-N	411.239	5.110	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)c1cccc(F)c1	468113519	OBZZYRUUEBNNEG-INIZCTEOSA-N	402.425	5.337	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)CCC[C@]12CCCCO2	468634946	KEKAQXFMMFCICJ-FYYLOGMGSA-N	412.892	5.214	30	20	HKED	
C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(-c2ccc(Cl)cc2)s1	471086346	NEHUQWXQPZVKSM-BEFAXECRSA-N	419.937	5.500	30	20	HKED	
N#CC[C@@H](CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1	474295175	XKCPDFBEUKTMFV-QHCPKHFHSA-N	420.516	5.243	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)c2ccc(CC)o2)CC1	476166460	WGIVTTJDEQPWBF-UHFFFAOYSA-N	408.542	5.185	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1occc1CSc1ccccc1	477235952	FKZKMTXPFFPKSM-UHFFFAOYSA-N	415.436	5.372	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1C	477713700	VDXQXCXKIQVKSH-UHFFFAOYSA-N	406.530	5.295	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2ccccc2)cnc1C	479079337	KZCJSUILMYCJBG-UHFFFAOYSA-N	403.530	5.445	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3cc(Br)cs3)no2)cc1F	479505348	VAHYIHOLPXURSO-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OCc2ccncc2)cc1	480553992	NTKUFWIRWDETAM-UHFFFAOYSA-N	413.930	5.596	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(Cl)cc2C#N)ccc1OCc1ccncc1	480875282	FHEVDJKEHAOWPO-INIZCTEOSA-N	407.901	5.045	30	20	HKED	
C=C(C)[C@@H](N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)c(F)c1	481601212	CIUTVZHPUPTCAM-ADLMAVQZSA-N	424.278	6.290	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483213457	MAGLNBQGDCWIIL-HNNXBMFYSA-N	404.882	5.205	30	20	HKED	
N#CC1(F)CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1	484406112	PKQNIUJCLRNPQW-GOSISDBHSA-N	406.288	5.120	30	20	HKED	
CSc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1[N+](=O)[O-]	485753428	UMHRYAYUUMGNFP-UHFFFAOYSA-N	419.462	5.020	30	20	HKED	
Cc1nc(NC(=O)c2cccc(SCC#N)c2)sc1Cc1ccc(F)cc1F	487605023	JNFOUFGRUMMVHY-UHFFFAOYSA-N	415.490	5.189	30	20	HKED	
N#Cc1cccc(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1	489712494	ILPZQCJSNPRZND-NRFANRHFSA-N	409.411	5.047	30	20	HKED	
CN(C)c1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	491570330	OMRPFRHTTKMWBV-QFIPXVFZSA-N	418.928	5.383	30	20	HKED	
CC[C@H](NCc1cc(C#N)ccc1Br)c1nc(C(F)(F)F)cs1	491760822	IECNXASPIUCEPR-LBPRGKRZSA-N	404.255	5.037	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)cc1	495670347	QVTFPQIZQNCPEX-UHFFFAOYSA-N	418.537	5.091	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](c4cccc(Cl)c4)C3)o2)cc1	496733218	CLDFTVRPEXLHPW-SFHVURJKSA-N	406.869	5.013	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccncc1	505428445	RMKSVKRYNLFBSN-UHFFFAOYSA-N	405.552	5.250	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	505965406	IVVUUAKALYBMJG-CQSZACIVSA-N	423.460	5.055	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1	508469464	FHNLCUDUYINAHD-MJGOQNOKSA-N	404.457	5.387	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCCC[C@@H]3c3ccccc3)s2)cc1	509651500	MSCGWOJCTROHBF-JOCHJYFZSA-N	416.550	5.755	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc(OC)c1C(C)C	511609610	IKSGDTIXOSNLFB-MRXNPFEDSA-N	407.297	5.129	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2cc(C#N)ccc2Cl)CCC3)cc1	511748773	UARYYXOJHVSLJZ-GOSISDBHSA-N	423.925	5.151	30	20	HKED	
Cc1cc(C(=O)CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C)s1	514501052	KFYJZYZPFFUQKT-UHFFFAOYSA-N	418.518	5.417	30	20	HKED	
Cc1ccnn1-c1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	515577824	RCGRVSRSIMCUGN-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cnco4)cc3)c2C#N)C1	516069920	RDXWOBKNMCFJTI-INIZCTEOSA-N	405.523	5.678	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)cc2)ccn1	517205970	UTSIHLBFXUMFKT-QGZVFWFLSA-N	418.884	5.420	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1cccc(C(F)(F)F)c1	520271794	KAUVRHWPRSWZID-LJQANCHMSA-N	416.374	5.418	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)c1cccc(C(F)(F)F)c1	520357757	KZJKLLLLBOBQKZ-HXUWFJFHSA-N	414.814	6.020	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2	520722373	VQKSNZPJHRCEKR-UHFFFAOYSA-N	419.356	5.070	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)on1	521725894	HHLLSVSZMATMQL-NSHDSACASA-N	403.916	5.561	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2cccc(O)c2)cc1Cl	522833951	VRYCRGLCHLFXHM-OAQYLSRUSA-N	405.885	5.065	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2occc2COc2cccc(C#N)c2)C1	523091860	ANHPRULMUYJTFR-GHTZIAJQSA-N	400.478	5.057	30	20	HKED	
COC1CCC(N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	523768057	DFOHSJXFQQHJMR-GRERDSQWSA-N	411.933	5.417	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1	525024530	VKVDALNFHNLGBM-IFMALSPDSA-N	418.443	5.352	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2cccc(Oc3cnccn3)c2)c1	532730102	LDOKMAIGTKAFIA-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F)C1CC1	533138445	GWGRRDGPJUEKJP-SNVBAGLBSA-N	407.408	5.219	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	533938214	DQYYWNHONCYTDL-KRWDZBQOSA-N	418.378	5.201	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccc(C)n2C)n1)c1nc(-c2ccccc2)cs1	533964864	FPCZVFGVODXYIT-UHFFFAOYSA-N	420.563	5.413	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1cc(F)ccc1F	535628106	BDRMUWBERKZPFJ-UHFFFAOYSA-N	407.420	5.294	30	20	HKED	
CCN(C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1ccc(C#N)c(Cl)c1	538071987	OHRPSTVSEBFQEO-UHFFFAOYSA-N	417.896	5.155	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3ccc(Br)cc3)C3CCC3)o2)cc1	540376965	KKJTXFPRBTXHEN-HXUWFJFHSA-N	423.314	5.002	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1	542717297	FZHAYPKOAJJXCN-UHFFFAOYSA-N	420.557	5.008	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1	543878293	PHMAHEWHBVACFS-HNNXBMFYSA-N	424.382	5.344	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3scnc3C3CCCC3)cc2)c1	546775528	KFFXFVVFHOGTEM-UHFFFAOYSA-N	403.507	5.504	30	20	HKED	
CCCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H]1CCc2ccccc21	555007940	VUNJRTLAAMMFRL-XMMPIXPASA-N	412.493	5.677	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1C	557320813	YPAFCUAOMJGKNI-GOSISDBHSA-N	414.500	5.026	30	20	HKED	
N#CCCC[C@@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)c1ccccc1	560563990	GFEWNDYUGJRRJO-GOSISDBHSA-N	400.313	5.099	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(Cl)cc(Br)c1OC	560729243	MEIXVJZVGVUGOD-UHFFFAOYSA-N	415.740	5.393	30	20	HKED	
CCSc1cccc(Br)c1NCc1nnc(-c2ccc(C#N)cc2)o1	562230845	BFCQPSHSBQQNQL-UHFFFAOYSA-N	415.316	5.095	30	20	HKED	
Cc1c(CN2CCSCC2)cccc1NCc1ccc(C#N)cc1C(F)(F)F	564529686	RWKXRTWEKQKFRQ-UHFFFAOYSA-N	405.489	5.046	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2cc(Cl)ccc2OCC(F)(F)F)no1)c1ccccc1	589133721	BISKSSKCPXBADU-AWEZNQCLSA-N	421.806	5.571	30	20	HKED	
C[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccccc1	602099167	QQTLHMUTVRJOTD-VGSWGCGISA-N	416.908	5.843	30	20	HKED	
C=CCN(C(=O)Cc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603458864	KEYORFSFEPHFGV-UHFFFAOYSA-N	413.886	5.133	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1	603736976	JLKORFBSNYPUBW-INIZCTEOSA-N	412.917	5.131	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)o1	603828983	BYXAFDCOAAQBFO-JOCHJYFZSA-N	419.912	6.093	30	20	HKED	
COC(=O)c1sc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C	604564929	CHRPIISHTOWPPQ-UHFFFAOYSA-N	422.531	5.259	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609723170	PWWMAKPEMZBROV-UHFFFAOYSA-N	401.853	5.148	30	20	HKED	
C[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)c1ccc(C#N)cc1	609813788	RFUPCIUPVDUWMN-KURKYZTESA-N	421.570	5.127	30	20	HKED	
CC(C)n1c([C@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21	609837049	ARJDJLFIWISHSG-SFHVURJKSA-N	424.504	5.772	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)Nc3cc(C#N)c4ccccc4n3)s2)cc1	609894002	ZBDASNGZMDGMBY-CQSZACIVSA-N	400.507	5.720	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3ccnc4ccccc34)c2)cc1	609906963	BRMGOCCNJMBLSG-UHFFFAOYSA-N	421.500	5.451	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NC3(c4ccccc4F)CC3)cc2F)c1	609929352	UAVWDLANTISSOG-UHFFFAOYSA-N	419.431	5.226	30	20	HKED	
COc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)cc1	610355966	GCNLEUHMCLQEFO-WAIKUNEKSA-N	419.912	5.370	30	20	HKED	
CC(C)Cn1c(SCc2ccnc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl	610957086	PNFXWRCAXDNZDB-UHFFFAOYSA-N	418.353	5.467	30	20	HKED	
N#Cc1cccc(COc2cccc(CN3CCCC[C@H]3c3noc(C4CC4)n3)c2)c1	611263555	VPGISBKZENBTCQ-QHCPKHFHSA-N	414.509	5.125	30	20	HKED	
C=CCn1c(SCc2ccc(C#N)cc2Br)nnc1-c1ccccc1	611491454	HOSDUWBTNCEHBJ-UHFFFAOYSA-N	411.328	5.058	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cn2)cc1	613651201	MTNYRVDKAUZPKM-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4c(Cl)cccc4s3)ccc21	615815411	WYPCBRMMNGNSLR-UHFFFAOYSA-N	423.925	5.390	30	20	HKED	
O=C(CCCOc1ccccc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	617008616	USXMFWBYHZDAGS-RYUDHWBXSA-N	415.349	5.010	30	20	HKED	
CC(=O)Nc1cccc(Nc2nnc(S[C@H](C#N)c3ccc(Cl)cc3)s2)c1	619864365	ILKJWSUIEWFHAZ-MRXNPFEDSA-N	415.931	5.250	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(Br)c1)c1nc2cc(F)ccc2s1	676591973	WSGDDEDNUGNNAH-LBPRGKRZSA-N	409.667	5.341	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	681402987	AVORIKGRQLRWJH-CABZTGNLSA-N	404.301	5.535	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)c1	726485121	JZLOOPRDSLZSHP-UHFFFAOYSA-N	421.541	5.504	30	20	HKED	
CCCCCCC[C@H](C)CNC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1	726708468	NYKWQCZLWAXKQD-SFHVURJKSA-N	413.566	5.017	30	20	HKED	
O=C1/C(=C/c2ccc(O)cc2)CCc2nc(-c3ccccc3Br)sc21	730437115	YGEMXMHMJCZPGV-ACCUITESSA-N	412.308	5.491	30	20	HKED	
C#CCOc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	731113261	MUUNRJPNOWIPSI-FQEVSTJZSA-N	402.416	5.477	30	20	HKED	
N#C[C@H](NC(=O)CCSc1nc2ccccc2s1)c1cccc(Cl)c1Cl	731195935	RAONZDQSYSHRQP-AWEZNQCLSA-N	422.362	5.466	30	20	HKED	
CCCC[C@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)Nc1cc(C)on1	732916585	UZQNLPMCCRRVEO-VXKWHMMOSA-N	402.498	5.248	30	20	HKED	
C#CC[C@H](OC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccn1	733692375	MDQUVKFSNJUQAY-IBGZPJMESA-N	412.367	5.209	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1	733773156	RUKPPIIZJVGRBC-XUZZJYLKSA-N	416.546	5.517	30	20	HKED	
CN(c1ccc(NC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1F)C1CCCCC1	734089092	HCTWGBZKEKDRMG-KRWDZBQOSA-N	422.529	5.450	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1	737322880	NCQUVOOVJNPNMC-CQSZACIVSA-N	422.859	6.123	30	20	HKED	
Cc1ccc(C)n1C1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1	740484041	HMMBNYIJDVKCOD-UHFFFAOYSA-N	418.566	5.252	30	20	HKED	
N#CCOc1cccc(NC(=O)C2(c3cccc(Br)c3)CCCCC2)c1	742548550	HJKWBDBXOKQSJB-UHFFFAOYSA-N	413.315	5.192	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1	751014622	QKJZXGHOZZFHTA-UHFFFAOYSA-N	415.518	5.657	30	20	HKED	
CC(C)Oc1cc(Br)cc(NC(=O)c2ccccc2SCC#N)c1	752741317	FZGAEHCDXNNASC-UHFFFAOYSA-N	405.317	5.104	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)s1)c1ccncc1	753187954	DMBXZPMELUNYJU-CABCVRRESA-N	406.349	5.070	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccccc2O[C@H]2CCOC2)cc1	760009038	PVKJIXLYNJJUAX-FCHUYYIVSA-N	413.477	5.154	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)Nc2ccc(F)cc2OCC#N)cc1)c1ccccc1	761662333	BVVFNWWRSGGMFQ-INIZCTEOSA-N	404.445	5.545	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	764755173	DEHPMXPMYYZLTH-GJZGRUSLSA-N	406.404	5.824	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nc2cc(Cl)ccc2s1	766846714	RAZITPRWQGBEQI-GRYCIOLGSA-N	406.816	5.347	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CN[C@@H](CC(F)(F)F)c2ccccc2C)cc1C	769990434	MLWVCLJLQLJVCZ-NRFANRHFSA-N	417.475	5.142	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c(Cl)c1	770846960	MZMZDSMKQVXJBS-OAHLLOKOSA-N	405.281	5.133	30	20	HKED	
COc1cccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1F	771251730	BRSJBEUFGMJKID-CQSZACIVSA-N	410.289	5.278	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSCCSC(C)(C)C)n(Cc2ccccc2)c1C	783561822	SZMXKRHWBYTYMZ-UHFFFAOYSA-N	415.628	5.228	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1C=NNCc1ccc(-c2ccccc2)cc1	794914720	IPIRSNUZBVQDAN-UHFFFAOYSA-N	401.901	5.020	30	20	HKED	
N#C[C@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	801688394	RGLFDPRDBQVAFU-GJZGRUSLSA-N	404.285	5.116	30	20	HKED	
N#Cc1sc(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)nc1Cl	804431484	RTCPAAIFDGCTRH-UHFFFAOYSA-N	405.914	5.192	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ccccc3Cl)n2)cc1	810549747	OQQXCDRKEZAJFZ-SFHVURJKSA-N	410.926	5.671	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3sccc3Br)c(Cl)nc21	915114399	MARMLWRTGZGVQK-ARJAWSKDSA-N	410.724	5.386	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(C)C)cc1	915351884	HLPGBQDGLVPZKH-RPBOFIJWSA-N	413.521	5.869	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1-n1cccc1	916944368	CQOUMCNPIXXPTN-SFHVURJKSA-N	412.276	5.054	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1	916947827	BKPVGGULXWIYIT-DJJJIMSYSA-N	419.447	5.142	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(NC2CCCCC2)sc1=S	917457115	AEPQNPHTUQPMDX-UHFFFAOYSA-N	401.605	5.160	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCC(F)(F)F)cc2)cc1	921265835	SNXAWQZSUKLLGW-LFYBBSHMSA-N	406.404	5.054	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CCC)C1	1359145405	OFYOIVXNCLJFFF-LJQANCHMSA-N	402.970	5.000	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC)cc3)CCC2)cc1	1789626330	VDLMYOYEXYBGJZ-UHFFFAOYSA-N	419.569	5.468	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)no3)cc2)CCC1	1790162377	LXUNMRJOIAGWGS-HXUWFJFHSA-N	421.541	5.314	30	20	HKED	
CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)CC1	1790257079	FVZXIRONGFRBTN-FQEVSTJZSA-N	413.521	5.052	30	20	HKED	
C=CCn1c(SC[C@H]2CCCCO2)nc2scc(-c3cccs3)c2c1=O	6397521	VJRWJMOAGKHHTQ-CYBMUJFWSA-N	404.582	5.034	30	20	HKED	
C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	10846850	LIIBGQGZXWVLQD-LLVKDONJSA-N	401.850	5.125	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)c(F)c2)c1	11082918	AQBCJVFGEAZLCU-UHFFFAOYSA-O	415.460	5.059	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1	29117092	RKNBPXRQEMBTGL-OAQYLSRUSA-N	418.493	5.062	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1	46443551	SAJWEYXKKZMZER-AWEZNQCLSA-N	418.703	5.111	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2ccc(O[C@@H](C)C#N)cc2)cc1	237249690	QSYOACOJAWQNHF-AVRWGWEMSA-N	404.485	5.199	30	20	HKED	
C#CCCOc1ccc(CN[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1	237477258	RIVRXXQEVYSLRY-KRWDZBQOSA-N	406.551	5.380	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@@H]3CCCO[C@H]3c3ccccc3)c2)c1	237854058	ORXFVPDNVTWZFS-BDYUSTAISA-N	412.533	5.395	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@H]3CCCO[C@@H]3c3ccccc3)c2)c1	237854213	ORXFVPDNVTWZFS-XNMGPUDCSA-N	412.533	5.395	30	20	HKED	
COc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)c(C(F)(F)F)c1	303098328	BFUVMUPOBZUKJO-UHFFFAOYSA-N	410.395	5.183	30	20	HKED	
CN(C(=O)[C@H]1CCCC(F)(F)C1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	409955221	BUWXYMKAGSUTCB-AAEUAGOBSA-N	403.313	5.593	30	20	HKED	
Cc1onc(CC(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)c1C#N	428698263	DBAOGURYQDDBIU-UHFFFAOYSA-N	420.683	5.663	30	20	HKED	
Cc1c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)sc2ccc(C#N)cc12	431828931	BDWGWAVNXUCARX-UHFFFAOYSA-N	411.486	5.586	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(F)cc3C#N)c3c(C)noc3n2)c(C)s1	433990228	LYTPTBNOKOVBSX-UHFFFAOYSA-N	406.442	5.140	30	20	HKED	
C=CCN(C(=O)[C@H]1CCOC[C@H]1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	435664584	MYIKKDLGOLCMBA-GCJKJVERSA-N	418.562	5.669	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Oc2ccccn2)c1	438659950	IPMPVJBRQKGEHS-UHFFFAOYSA-N	404.426	5.002	30	20	HKED	
Cn1c([C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccccc2)nc2ccccc21	440081189	PJPMUKSRACJHGF-XUZZJYLKSA-N	423.520	5.007	30	20	HKED	
CN(C)Cc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	440752692	ZTSIPNKYZQHPLD-UHFFFAOYSA-N	404.445	5.195	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc([C@@H]4CSc5ccccc5O4)no3)cc2)nc1	446016720	UMPZUHOTQRDUDS-SFHVURJKSA-N	414.446	5.021	30	20	HKED	
CCCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](c1ccc(F)cc1)c1cccnc1	446033037	IJTHVQVPZHJCLE-JOCHJYFZSA-N	409.411	5.012	30	20	HKED	
Cc1cc(NC(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)nn1CCC#N	446318259	HMYSUSBVWQXIBE-KRWDZBQOSA-N	405.527	5.603	30	20	HKED	
Cc1cc(CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)ccc1C#N	447307383	YCGHPHRPIKEMSZ-HNNXBMFYSA-N	411.962	5.016	30	20	HKED	
O=C(c1ccc(Cl)cc1C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	447795722	PTOJSTINEBATLF-UHFFFAOYSA-N	401.656	5.316	30	20	HKED	
CC(=O)Nc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1	460337690	FLONJDJLUMSWGW-UHFFFAOYSA-N	403.869	5.017	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1cc(C(F)(F)F)ccn1	464408263	RCYASLNEJVCUQS-ZDUSSCGKSA-N	411.305	5.107	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464412990	XDDLXQHQRWWGCG-NSHDSACASA-N	423.753	5.346	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	464875214	PAJBJFRRJCIHKO-HSZRJFAPSA-N	420.484	5.209	30	20	HKED	
Cc1nccn1CCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	466005338	LUNAMLLQGKJUSZ-NRFANRHFSA-N	421.932	5.102	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1	467071822	JZPYHEYTZBTHBT-GOSISDBHSA-N	403.894	5.810	30	20	HKED	
Cc1c(F)cccc1-c1ccc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)o1	469119258	GXGLJWNMMZGHKY-UHFFFAOYSA-N	417.484	5.589	30	20	HKED	
Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)sc2cccc(F)c12	469956955	RAPBMRGVXRMSIT-UHFFFAOYSA-N	421.497	5.184	30	20	HKED	
CO[C@@H](C)c1noc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	475150283	ILYMIMGGSXEKFN-LBPRGKRZSA-N	418.375	5.072	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	475657905	ALWIMRKYIAQYNR-XMMPIXPASA-N	415.512	5.582	30	20	HKED	
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	477989164	LLXUGKRLJVNPQX-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
CN(C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)c1cc(Cl)ccc1C#N	479562819	JZZNTIZEXIWCAZ-UHFFFAOYSA-N	408.889	5.127	30	20	HKED	
N#Cc1cc(Cl)ccc1CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1	481184274	BCDTVTVPOATJOK-INIZCTEOSA-N	417.656	5.757	30	20	HKED	
COC(=O)c1csc(-c2cccc(CN[C@@H]3CCCCc4cc(C#N)ccc43)c2)n1	482001952	NYGIWKVOSREUHF-OAQYLSRUSA-N	417.534	5.026	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	482021377	LXOCHPSJMTUCLS-SUMWQHHRSA-N	406.379	5.293	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(NC(=O)c2cccs2)c1	483137299	HADLKVULELJCNI-UHFFFAOYSA-N	423.497	5.048	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nccc2ccccc12	483200724	LUPXJKDQUPDCKC-INIZCTEOSA-N	407.260	5.217	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2cnc3ccccc3n2)cs1	483221787	ARILSUBMLSWXTD-QGZVFWFLSA-N	416.531	5.177	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C	483714311	PLWUXAYFENISKY-HNNXBMFYSA-N	421.476	5.396	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	485741369	DBBOYDXDMBCILF-INIZCTEOSA-N	407.470	5.313	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	486658359	PNEAUVCIUPMLHV-OAHLLOKOSA-N	407.495	5.384	30	20	HKED	
Cc1ccc2ncc(C#N)c(OCc3nnc(-c4ccc(Cl)cc4Cl)o3)c2c1	488279610	PJVYTWSPAXYEIO-UHFFFAOYSA-N	411.248	5.351	30	20	HKED	
CC(C)n1ncc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1-c1ccccc1	489721542	WJPYCCNVCGEPLQ-GOSISDBHSA-N	413.308	5.432	30	20	HKED	
CO[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(O)cc1	494334252	URYCWWJRAZQDTP-IRLDBZIGSA-N	406.869	5.027	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cccc(OC(F)F)c1	496595973	XJSJPGSSIYVXHU-UHFFFAOYSA-N	421.444	5.076	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCCC4)cs2)cc1	498273475	BXDHCKDAUAJCJT-UHFFFAOYSA-N	423.563	5.202	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4cccc(F)c4C3)c2)cc1	503632474	XZNSAWOXTPQRGX-UHFFFAOYSA-N	415.468	5.061	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(Br)cc2Br)c1	506977908	WRAQDCWSZNUBQS-UHFFFAOYSA-N	411.093	5.029	30	20	HKED	
C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C)(C#N)CC1	508851661	ZJRFKKZRNDBJAM-UHFFFAOYSA-N	407.518	5.129	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(OCC(C)C)CC1	508853941	ABOJSKRFQFQYFL-UHFFFAOYSA-N	409.361	5.079	30	20	HKED	
N#C[C@@H]1N(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CCC[C@@]12CCCCO2	509657654	LCPAWOVMMYRASD-FPOVZHCZSA-N	400.931	5.136	30	20	HKED	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(OCc2ccccc2C#N)cc1	510898936	CQLUXDPBXKMWKN-INIZCTEOSA-N	404.432	5.186	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	512386062	KYVXFVHWAPPTRJ-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
CC[C@@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)cc1	515670929	CQTJLVLDIJHOOS-LJQANCHMSA-N	420.900	5.078	30	20	HKED	
C=CCN(C(=O)c1cccc(OCc2cccs2)c1)c1nc2c(s1)CCCC2	516073443	VHOFPNNPEKANJH-UHFFFAOYSA-N	410.564	5.495	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1	516641484	TYAONTFLQLKWLW-QVKFZJNVSA-N	401.466	5.697	30	20	HKED	
C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	517355699	WTMKWYLRIZDEDH-MZNJEOGPSA-N	416.452	5.092	30	20	HKED	
CSc1cc(C)ccc1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	517442282	PPZVXIOJQQSKSP-UHFFFAOYSA-N	404.495	5.098	30	20	HKED	
CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1	517467355	VWKDPBJJPYVQEL-JOCHJYFZSA-N	423.582	5.097	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(SCc2csc(C)n2)cc1	517835981	QETIOHORYNXXER-UHFFFAOYSA-N	401.601	5.536	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CCC2	518395307	IKJSGGYFXWMEDK-FQEVSTJZSA-N	421.497	5.404	30	20	HKED	
CC1CCC(OC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)CC1	518643575	LWYHGZMENXURBY-UHFFFAOYSA-N	402.538	5.425	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1	520855209	DYUNNXQOMFXEEM-CQSZACIVSA-N	423.460	5.501	30	20	HKED	
C=CC[C@@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	522643270	NUNPMWZHPVLKFQ-OVGFGYAMSA-N	407.495	5.216	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccco1	522952828	SVVIEPWZSGMTLU-NRFANRHFSA-N	419.481	5.479	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)cc1	524239389	ZYJDOVHMWXFSMJ-NRFANRHFSA-N	410.901	5.501	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	533438795	QKTNDKPJFLEPKB-SJORKVTESA-N	415.990	5.093	30	20	HKED	
C=C[C@H](CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1)c1ccccc1	535459400	KGIUTCAYQHLCSJ-MRXNPFEDSA-N	407.901	5.241	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccc(C#N)c(Cl)c1	539172715	KPYWFURWWVDDNB-UHFFFAOYSA-N	401.869	5.002	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nn1[C@@H](C)C1CC1	539686639	CPLNDRBQOGIIMG-SFHVURJKSA-N	414.509	5.060	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(C)nc1-c1ccccc1	540054172	MCIFFMRFJVLZPO-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1ccc(C#N)c(Cl)c1	540272759	VMPAPTAPHUTDRO-UHFFFAOYSA-N	416.868	5.390	30	20	HKED	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N	540557283	GYZPGQOPWOTCMR-SXGZJXTBSA-N	401.507	5.118	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)s1	541627235	OZCDPWVBLQASRE-ZIAGYGMSSA-N	407.992	5.333	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1	541657254	PMWFVGIVGJZYCD-ZDUSSCGKSA-N	419.485	5.030	30	20	HKED	
Cc1noc(C)c1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542123295	MWTJJTBVMHJFCD-CYBMUJFWSA-N	420.275	5.722	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cccc(CC#N)c1	552805973	VYWPRCANOWNXFQ-UHFFFAOYSA-N	400.322	5.062	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1	553002223	KYSGOTOWUHGYFG-VWNXMTODSA-N	415.468	5.148	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	553338587	FUPHYOXKKAYNDG-JKSUJKDBSA-N	408.420	5.592	30	20	HKED	
CN(Cc1ccccc1N(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	558191502	XZJNGCZZHJJTPW-UHFFFAOYSA-N	400.482	5.080	30	20	HKED	
Cc1nc([C@H](NC2CCC(C#N)(c3ccccc3)CC2)c2ccc(Cl)cc2)no1	566755180	KPPUAANONQDZCE-WQMHRJNTSA-N	406.917	5.115	30	20	HKED	
CSCc1cc(F)ccc1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	583987354	QQOIAVCMUZBXSE-UHFFFAOYSA-N	422.485	5.069	30	20	HKED	
COc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC(C)C	600841930	STAUUNWRKZPSQE-UHFFFAOYSA-N	418.946	5.448	30	20	HKED	
C=CCN(C(=O)CSCc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1	603728939	WTRZYEXFINFKOU-UHFFFAOYSA-N	405.548	5.134	30	20	HKED	
COc1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1OCc1ccc(Cl)cc1	609191425	OJBZNIIYKYOKPD-UHFFFAOYSA-N	414.933	5.330	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(COc2ccccc2C#N)o1	609263214	LGLBURGIQPMUPB-NRFANRHFSA-N	416.477	5.106	30	20	HKED	
COc1cccc([C@@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	609326733	SNNVAWGJMMBEKG-GOSISDBHSA-N	402.469	5.351	30	20	HKED	
COc1ccc([C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)cc1	609433824	LEFSLDDBGYEKQO-FQEVSTJZSA-N	413.477	5.381	30	20	HKED	
C[C@H]1[C@H](C)CCC[C@H]1N(Cc1c(F)cccc1Cl)S(=O)(=O)CCCCC#N	609465199	KUUTXPOTZCWUKC-GQIGUUNPSA-N	414.974	5.129	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCS[C@@H](c4ccccc4)C3)cc2)cc1	609807573	BNMBHFBVWXSFRI-HSZRJFAPSA-N	415.518	5.673	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CSc2ccccc21	609815291	YJXSWBDDYWRQTR-NRFANRHFSA-N	402.494	5.429	30	20	HKED	
N#Cc1cc(N2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccc([N+](=O)[O-])cc12	610246546	JBWLNFYLHOYDDX-CQSZACIVSA-N	415.478	5.008	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610319836	LIGZRDCRXLWTRA-KSFYIVLOSA-N	416.456	5.500	30	20	HKED	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	610335122	YFVZEOYIAAKLTK-OAHLLOKOSA-N	419.431	5.780	30	20	HKED	
Cc1c([C@H](C)NCc2ccc(C#N)cc2F)cnn1-c1ccc(Cl)cc1Cl	610812757	ONRWJFQOIMUFGM-LBPRGKRZSA-N	403.288	5.349	30	20	HKED	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2ccnc(C#N)c2)nnc1-c1ccco1	610954715	CQSBNOXWKLZWJJ-WXSAJPJJSA-N	405.527	5.094	30	20	HKED	
C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1c(Cl)cc(C#N)cc1Cl	611096776	GYQRXKZWXQUKKJ-SNVBAGLBSA-N	417.214	5.081	30	20	HKED	
CC(C)c1ncncc1C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	613394124	FRMWCHSIIKHVFK-YWWNBQKISA-N	406.555	5.014	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(COCc2ccccc2)cc1	615668816	YWUUZFQICYPSCQ-UHFFFAOYSA-N	418.512	5.440	30	20	HKED	
COCc1nc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(-c2ccccc2)s1	669601541	SJSYGGXCTCOWST-CQSZACIVSA-N	423.494	5.195	30	20	HKED	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	674784338	GGWAPFVNGJPUGI-NXEZZACHSA-N	411.239	5.047	30	20	HKED	
COc1cc([C@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OCC(C)C	726459879	REZXXXSDHYHXCI-AWEZNQCLSA-N	417.962	5.303	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	729891448	IUVDLXJUCMEABA-VAABUUKESA-N	410.926	6.017	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)sc2cccc(F)c12	730422426	XQDFZZXEWTYLOM-LLVKDONJSA-N	414.458	5.426	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	730919973	IBWUBKHJDHZZOL-OTWHNJEPSA-N	423.299	5.598	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2c(Cl)cccc2Cl)c1	733804870	KJKYQMZBKILSKU-HNNXBMFYSA-N	406.313	5.016	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)c1	733851693	HPKALMJTMAUAPN-QPPBQGQZSA-N	421.541	5.203	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)co1	734317559	XXUSCEGKGTYYLT-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1cc(C)c(NC(=O)CSCc2cc(Cl)ccc2OCC#N)c(Cl)c1	735319788	BRDWFNXVCZQDIO-UHFFFAOYSA-N	409.338	5.385	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1C	740328659	JDQKONPTVKWDES-HNNXBMFYSA-N	421.415	5.071	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNc1ncccc1C(F)(F)F	740761027	UGPMMOORCOUWQE-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c(Br)cc1O	741471626	CJZNVZNZSQLTJP-WAYWQWQTSA-N	410.267	5.121	30	20	HKED	
Cc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)c(OC(F)F)cc1C	742345854	DDNURUABQKUXEO-LICLKQGHSA-N	402.466	5.413	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2)cs1	744035075	NYXMEQRADNJIRZ-DJIMGWMZSA-N	414.864	5.722	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)s1	744038117	MNWLFCNZGFQNSC-UWVGGRQHSA-N	424.270	5.235	30	20	HKED	
CN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	748758007	XOPMLCYHKDVOCV-XMMPIXPASA-N	422.887	5.172	30	20	HKED	
Cc1ccsc1CCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	748834503	OBMGBGJBDBPKAK-CYBMUJFWSA-N	408.470	5.884	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2Cl)cc1	751094294	BVUUIQGBRUEENY-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(C4SCCS4)cc3)n2)c1	752377074	ZXGHGXSMRIVARV-UHFFFAOYSA-N	409.561	5.413	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](OC(C)(C)C)c3ccccc3)n2)cc1	754528213	HZOYJYIYEIREFO-UGKGYDQZSA-N	420.534	5.551	30	20	HKED	
CCCCCCCC(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1	755209873	JSFWCEPWSXOSFC-MRXNPFEDSA-N	408.589	5.087	30	20	HKED	
C#CC[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1	757607032	QIDYKQKYTZEGIL-FQEVSTJZSA-N	413.502	5.010	30	20	HKED	
C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	759462524	JBMBXVDCVBSZBH-FZMZJTMJSA-N	418.852	5.385	30	20	HKED	
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)CCC2=O)cc1C	760453788	TWUIXXCQPACJNR-MOPGFXCFSA-N	421.566	5.079	30	20	HKED	
C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C2CC2)no1	761174542	MIXMJVASGGXMSD-AWEZNQCLSA-N	405.479	5.029	30	20	HKED	
C[C@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl	765138760	OEJGJFZKFQJPGD-YKSBVNFPSA-N	419.912	5.025	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O[C@@H](C#N)C(C)(C)C	765635166	UQUJFLQXORELKU-AWEZNQCLSA-N	408.882	5.196	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccnc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	771260681	JOZJRUIORGHCSJ-DPXBUVRWSA-N	407.804	5.253	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	772245626	MVANMXBIICUGRH-GOSISDBHSA-N	421.566	5.032	30	20	HKED	
C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(N2CCOCC2)c(F)c1	774475508	HCHWOEIGORRRFF-LJQANCHMSA-N	415.512	5.052	30	20	HKED	
COc1ccc(-c2cc(NC(=O)Cc3ccccc3CC#N)ccc2OC(F)F)cc1	776750565	HXNQIDQFLJMTQF-UHFFFAOYSA-N	422.431	5.211	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2ncsc2c1	776904467	UZCYXLFXPNCUCO-IERDGZPVSA-N	412.518	5.834	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccnc(SC(C)(C)C)c1	778592596	FZKUYHGMBZITNR-UHFFFAOYSA-N	418.522	5.592	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2cc3ccccc3o2)C(C)(C)C)ccc1OC	779412023	IZWABPBWIVVLBE-DVECYGJZSA-N	406.526	5.999	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)c1ccccc1	787042572	XEPDGGLRBUQVAL-WTNNDSGWSA-N	414.427	5.085	30	20	HKED	
N#Cc1ccc(COC(=O)c2csc(-c3ccc(Br)s3)n2)cc1F	791391317	NLNPJXKUYYEFAM-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C2CCC2)cc1	791621007	VIBCCGOJKHFQQC-MRXNPFEDSA-N	408.523	5.001	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)s1	797571631	TUKQHZLFVSAMHS-MELADBBJSA-N	408.445	5.319	30	20	HKED	
N#Cc1cc(NC(=S)Nc2ccc(Br)cc2)ccc1OC(F)(F)F	799512337	LTIOCFDIGMDHFL-UHFFFAOYSA-N	416.222	5.028	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1	801793039	DACQHOOOBVHINT-XMMPIXPASA-N	413.562	5.060	30	20	HKED	
Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Cl)n1	807591467	JWHYDPVMGSAAGK-UHFFFAOYSA-N	413.852	5.249	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1	807624948	SVCYFJVOLYZPNN-OAHLLOKOSA-N	416.868	5.222	30	20	HKED	
Fc1ccc(-c2csc3ncnc(NN=C4CCO[C@H](C(F)(F)F)C4)c23)cc1	814765801	TVIIJEGDTBELDL-AWEZNQCLSA-N	410.396	5.007	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)CCc2cc(C(F)(F)F)ccc2Br)n1	815897740	GDUDYCNTZDYRER-GFCCVEGCSA-N	417.250	5.042	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(C)C	915085619	DEFGSJGSJYLPDW-JOCHJYFZSA-N	400.478	5.390	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915683756	FMKFZLCPGWEDQX-KBMIEXCESA-N	413.521	6.012	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3c(Cl)cccc3Cl)n2)cc1	916650504	UEKKUZCPEWTDKT-CQSZACIVSA-N	417.317	5.681	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)s2)cc(Br)c1OC(F)F	917143943	YQFDEGJSSLRAOH-IHWYPQMZSA-N	423.662	5.670	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cc(C)cc(C)c4)CC3)n2)cc1	920138310	DFKGKDVZYLNKFT-FQEVSTJZSA-N	402.519	5.344	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1	920138770	JAAKOOJFAQTSKK-QGZVFWFLSA-N	416.424	5.256	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1	1785792514	VKCHELVOUPRROC-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830346776	OOUQEHZVOBUPMM-ZXYASIKESA-N	412.618	5.121	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2C2CCCCC2)cc1	15235928	MSRNXPSCARPLPM-GOSISDBHSA-N	421.614	6.283	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	24427849	MFPOWPDCPBMXCE-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](c3ccccc3)c3ccccn3)c2)c1	47697420	SRYUVJDCVNRXND-HHHXNRCGSA-N	405.501	5.411	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1	62403675	LBBFAPXJLVEAGT-CVFDLSLPSA-N	415.537	5.374	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCc1csc(C)n1	62905210	JTYCIJXJOLJKOD-UHFFFAOYSA-N	419.575	5.444	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1csc(COc2ccc(Cl)cc2)n1	63300259	AHFPTZVCJRRQHG-UHFFFAOYSA-N	409.942	5.435	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)Cc3cccnc3)c3ccccc3n2)c(C)c1	98076141	SVHQGJBGUBQHNT-UHFFFAOYSA-N	420.516	5.470	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CSCc1ccc(C#N)cc1)C1CC1	107792788	OUQCQXOBCCRSNR-HNNXBMFYSA-N	418.484	5.562	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	116681769	MPVGYJBFIQFEES-HXUWFJFHSA-N	418.484	5.564	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	236666157	RATJJGKPAREQGV-UHFFFAOYSA-N	408.483	5.243	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1Oc1cccc(C)c1	302958357	PPCDUZZWKJAAPH-UHFFFAOYSA-N	416.477	5.465	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1	303293988	BHQYYACEZHRBSH-QZTJIDSGSA-N	421.566	5.706	30	20	HKED	
CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	303341182	LOYVPVAAMGKWCD-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c1	303464987	PCUDHYQAGVYQQR-UHFFFAOYSA-N	408.404	5.692	30	20	HKED	
N#CCCC[C@H](NC(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1	431915663	DVEIVZGTNAIINX-FQEVSTJZSA-N	415.459	5.471	30	20	HKED	
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1	432628662	FKEXDIQACGPUSE-QGZVFWFLSA-N	404.436	5.328	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@@H]1c1ccncc1	432991570	GHHBPKYSNHCNMX-JOCHJYFZSA-N	416.456	5.500	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCN(c2ccccc2)C1	434872128	ZAHSARMGTYNKSB-QGZVFWFLSA-N	403.979	5.016	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	436349771	DRORPVYVPPZMIO-OGHNNQOOSA-N	403.910	5.408	30	20	HKED	
CO[C@@H](C)c1nc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1	438678619	JWGWWTKLTKBASF-HNNXBMFYSA-N	422.510	5.145	30	20	HKED	
COCc1nc(CNc2ccc(C#N)cc2Br)c(-c2ccccc2)s1	440641297	VZZLPKQWPULMGY-UHFFFAOYSA-N	414.328	5.203	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c(C)c1O	443567094	BGSJEUUUTFISAW-UHFFFAOYSA-N	415.493	5.607	30	20	HKED	
C[C@@H](c1ccco1)N(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	444381853	JHCRLYWLTLFLRQ-KKSFZXQISA-N	419.912	6.346	30	20	HKED	
CSc1ccc(-c2csc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)cc1	447463296	SAQXGFMTXHEREB-UHFFFAOYSA-N	418.503	5.311	30	20	HKED	
Cc1cnc([C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C2CC2)s1	460344031	VJIDOFITYHZDSO-OAQYLSRUSA-N	403.507	5.191	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C3CC3)nc3ccc(F)cc23)cc1	463496287	QMPPIUSGEDSSOA-UHFFFAOYSA-N	403.457	5.210	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464403212	FRKHQUAEGRAHON-GOSISDBHSA-N	418.378	5.201	30	20	HKED	
N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1cc(C(F)(F)F)ccn1	464465386	JHSLZUKROCODJO-LJQANCHMSA-N	419.406	5.593	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ncccc1OCCCC#N	466612410	YUZUJEPNFRVGKX-UHFFFAOYSA-N	421.328	5.513	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Oc2ccccc2)ccn1)c1nc2cc(Cl)ccc2s1	466987338	QEEMMPDLFVGCOS-INIZCTEOSA-N	405.866	5.627	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3ccsc3)C2)cc1	468352960	OPLAEIJVOUHQCB-NRFANRHFSA-N	420.559	5.126	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)cn1	470578537	KNZZKCVKNGEDOQ-UHFFFAOYSA-N	402.668	5.833	30	20	HKED	
C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1c1cccc(F)c1	472053845	RHPZWIBRVQXPQX-HJPURHCSSA-N	401.441	5.108	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3coc4cc(C)c(C)cc34)n2)cc1	473481636	VLGXGRZQSWAUEU-GOSISDBHSA-N	402.475	5.672	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1	475160283	WEOHVQRDFYQEAS-OAQYLSRUSA-N	403.482	5.002	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	475572948	QPCZVSHQCDDPMN-QPPBQGQZSA-N	419.613	6.055	30	20	HKED	
Cc1ccccc1-c1noc([C@H](C)SCC(=O)Nc2cc(Cl)ccc2C#N)n1	476191608	MMSJCQTWNRDDLJ-ZDUSSCGKSA-N	412.902	5.003	30	20	HKED	
C=C(C)[C@@H](NCc1ccc(OC)c(OCc2cccnc2)c1)c1ccc(F)c(F)c1	479385973	CXCUPXFDQRLUJQ-XMMPIXPASA-N	410.464	5.354	30	20	HKED	
CN(Cc1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481568472	JDHDCHNIBSCZNS-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c(OC(C)C)c1	482576510	HAEFBBJEUBWQMF-QGZVFWFLSA-N	406.404	5.166	30	20	HKED	
CCn1ncc2c(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc(-c3ccccc3)nc21	483196318	JWRQNSPTJRHXPW-NRFANRHFSA-N	417.472	5.156	30	20	HKED	
CCOc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)ccc1OCc1cccnc1	483236110	MUWHZPNHVCRBEM-QFIPXVFZSA-N	423.472	5.098	30	20	HKED	
C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1	487201018	ZYRIHALDFHBONG-JTQLQIEISA-N	409.301	5.277	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)N[C@H](CCCC#N)c3ccccc3)cs2)cc1	487347557	XQWJXPFJPZGDJV-JOCHJYFZSA-N	419.550	5.303	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1cccc2ccccc12	487396752	SDBJQVXXFKCOCB-ZWKOTPCHSA-N	403.551	5.381	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nnc1-c1cccs1	489389166	JSNWFKRGZHAAKP-ZDUSSCGKSA-N	416.597	5.034	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	497410432	HAPWYIOTJLAYLC-HXUWFJFHSA-N	420.900	5.321	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H](C)CC	498035158	CWCRUTVBEDYNPX-IERDGZPVSA-N	404.938	5.300	30	20	HKED	
C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	498298043	OKTNIAZTAFIKRY-LSDHHAIUSA-N	417.372	5.661	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2cccc(C)c2)n1)c1nc2c(s1)CCCC2	499154328	YKWUQEYJXQYSNX-UHFFFAOYSA-N	409.580	5.216	30	20	HKED	
Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1NC(=O)c1ccco1	499298767	DQCXXKQWXPPYSG-UHFFFAOYSA-N	401.466	5.015	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	502602325	JMTMSPHGLDAMDZ-UHFFFAOYSA-N	412.449	5.677	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	505916885	KSSXJYHZCNOOMJ-INIZCTEOSA-N	400.322	5.195	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	509722136	PFBMCZDVOLYXCZ-HNNXBMFYSA-N	412.942	6.000	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1	510720317	RXBSDSLACIFQKO-CQSZACIVSA-N	406.511	5.272	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2Cc3ccccc3-c3ccccc3C2)n1	513097375	SWLQHCYJLNPUHU-UHFFFAOYSA-N	423.451	5.098	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@H](c1c[nH]c2ccccc12)C(F)(F)F	513161361	SLJOPGLCGNEKOE-HXUWFJFHSA-N	419.472	5.278	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(OC(F)F)cc2)nnc1-c1ccc(OC)cc1	513251429	AQHOMSCTDWKMDU-AWEZNQCLSA-N	417.481	5.594	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513956724	IAJXIOPIYOTPHI-UHFFFAOYSA-N	407.876	5.894	30	20	HKED	
Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	514638544	CUWCZNXPAKMVED-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc(-c2ccccc2)cs1	515542500	XQSVCWRSSAWLFZ-HXUWFJFHSA-N	416.527	5.941	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)n1	515689354	CEFAQNUENUQEQN-UHFFFAOYSA-N	412.518	5.271	30	20	HKED	
CCc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N(C)C)cc1	518255920	JXXQPGQMOJPYJV-UTKZUKDTSA-N	410.587	5.068	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)s2)cc1	518533633	JEBDWKTZXZFYTO-SFHVURJKSA-N	411.914	5.165	30	20	HKED	
Cc1cc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2[nH]c(C)c(C)c2c1	518907030	IOWNOHXDUIEXQF-UHFFFAOYSA-N	410.477	5.082	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N[C@@H]1CCCC[C@H]1C	521733096	CCFHBRSGLMRWKV-IJEWVQPXSA-N	413.509	5.206	30	20	HKED	
C=CCCCN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	523024696	WUANZUBXFPHXMW-UHFFFAOYSA-N	405.420	5.388	30	20	HKED	
CC[C@H](CNCc1cn(CCC#N)nc1-c1ccccc1)Oc1ccccc1Cl	530664539	FPQVWLDKAXORNN-HXUWFJFHSA-N	408.933	5.064	30	20	HKED	
N#CCC[C@H](NCc1csc(-c2cccc(Br)c2)n1)c1ccccc1	532669627	CTRQESJYHWLLCT-IBGZPJMESA-N	412.356	5.707	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(OC2CCC2)cc1Cl	534678228	PXNSXLAFFWZHRO-AWEZNQCLSA-N	400.931	5.775	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1	536201325	OQZZQVOCHSMLQP-PXNSSMCTSA-N	421.928	5.456	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)nc2ccccc21	538572678	GPXFHNRGFNBGPQ-FQEVSTJZSA-N	412.537	5.192	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1[C@H](C)C1CC1	539631695	OMCUBILODCFXKR-GOSISDBHSA-N	414.509	5.060	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cnn(CCC(F)(F)F)c3)c2C#N)C1	541268885	VVXJWVFQLZOKGI-ZDUSSCGKSA-N	424.492	5.172	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccccc2COCc2ccccc2)C2CC2)cc1	541420772	YMHYQTPQFQBLOW-UHFFFAOYSA-N	411.505	5.472	30	20	HKED	
Cc1cc(-c2cc(C(=O)N3CCC(CC#N)CC3)c3cnn(C(C)C)c3n2)c(C)s1	541975707	ROYIGPDVYNRKHQ-UHFFFAOYSA-N	421.570	5.123	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2ccccc2SCCC#N)c1	543143996	LKYCGUAXFCKHFS-UHFFFAOYSA-N	415.562	5.577	30	20	HKED	
Cc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)ccc1NC(=O)c1cccs1	550583055	OUXGMUCCVIRLOY-UHFFFAOYSA-N	407.470	5.008	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(C)c1	553962168	QOMYJAPTYXAKEF-IBGZPJMESA-N	416.443	5.365	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(-c3ccccc3F)s2)c1	554983307	SRRYVGOJLQGEDY-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](NCc1ccccc1-c1ccc(Cn3ccnc3)cc1)CC2	554996807	DNDJSGSBQFXYED-HHHXNRCGSA-N	404.517	5.247	30	20	HKED	
COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	558342625	WLXZQAFYHSPUCF-BBTUJRGHSA-N	423.582	6.095	30	20	HKED	
Cc1nc2ccc(-c3noc(C4CCN(c5ccc(C#N)cc5F)CC4)n3)cc2s1	558374675	NTVDIBFNYVZTOU-UHFFFAOYSA-N	419.485	5.050	30	20	HKED	
C=CCC[C@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1	558723422	DOYJJNLYHPWFDF-GCJKJVERSA-N	416.487	5.465	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1	575604549	XRNDJRQBKRGQMM-BPAFIMBUSA-N	413.518	5.262	30	20	HKED	
Fc1ccc(Br)c(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	591373726	OVOBELHPHYCBCE-UWVGGRQHSA-N	408.155	5.151	30	20	HKED	
COc1ccc(-n2c(S[C@@H](C#N)Cc3ccccc3)nnc2-c2ccccc2)cc1	604044065	SCTUEKLLDDDOHU-JOCHJYFZSA-N	412.518	5.170	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)o2)cc1	604044208	BXKTVNFYAJAVEK-GOSISDBHSA-N	410.477	5.669	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1	608840880	FIKDDSFIFVRBJW-RPWUZVMVSA-N	413.477	5.392	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cc(F)ccc1Oc1ccccc1	609039769	BFDRQGZHOFBFHJ-UHFFFAOYSA-N	407.470	5.284	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	609377321	UUZRRGRXZKAGFH-ZDUSSCGKSA-N	424.507	5.222	30	20	HKED	
COc1cc(C[S@@](=O)[C@@H](C)c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1	609742953	DRZZFFYNNWSINM-NOVUIFNWSA-N	423.509	5.295	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1cccs1	609744576	RRIVIEIHTJFKEF-FXAWDEMLSA-N	421.591	6.105	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	610053938	AICDVJUTRWBBGK-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2)cc1	610163446	YBZAGYJYOCBLGH-XMMPIXPASA-N	423.476	5.110	30	20	HKED	
N#Cc1ccc(-c2nnc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1	610218980	OHIVNBPPLQCHHM-UHFFFAOYSA-N	413.277	5.225	30	20	HKED	
Cc1cnc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(Br)c1	611094376	GXMOYYFOYRPXEV-UHFFFAOYSA-N	422.282	5.263	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nn1C1CCCCC1	611445482	FSVWKGFRBOEPFF-UHFFFAOYSA-N	401.470	5.008	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C12CC(c3ccccc3)(C1)C2	616318240	QSGZNXLCNPTIIG-UHFFFAOYSA-N	408.501	5.506	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccc2ccccc2n1	620058250	ZSLDLALGZDUYDY-HSZRJFAPSA-N	414.468	5.578	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	622585764	IWCMUVYXKBFKOI-UHFFFAOYSA-N	417.227	5.717	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	626584964	WDDSYMFGLJWJIQ-UHFFFAOYSA-N	420.321	5.768	30	20	HKED	
Cc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)o1	681128048	AHGOYWXHTUWEHJ-BRPSZJMVSA-N	411.264	5.246	30	20	HKED	
C#Cc1cccc(NC(=S)N(CCC)[C@@H](C)c2ccccc2Br)c1	726475313	REJGBUDBMOPVIM-HNNXBMFYSA-N	401.373	5.600	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726484824	IGYVANKNPIYPDX-KRWDZBQOSA-N	405.954	6.172	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)c1	728188950	VYIGMOSZZSLUIN-UHFFFAOYSA-N	410.857	5.311	30	20	HKED	
N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1nc2cc(F)ccc2s1	730420849	HNASXQJNKLQJKI-GFCCVEGCSA-N	413.524	5.404	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2cc3ccccc3s2)ccc1OC	733648304	NXQPRRJWGDPUQJ-MAUKXSAKSA-N	423.538	5.151	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)C2CCC(C(C)(C)C)CC2)ccc1OC	733656934	QTDXEMKGMJKKAA-MHJFOBGBSA-N	415.578	5.122	30	20	HKED	
CC[C@H](OC1CCCC1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	733679478	IWMYDLACTZXXIZ-QAPCUYQASA-N	423.365	6.031	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1	733679517	JOXSBWMYQCYCQZ-IYOUNJFTSA-N	416.880	5.107	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)c1	733775525	YXIGLKWYFMXSMP-KDOFPFPSSA-N	405.325	5.169	30	20	HKED	
C=CC[C@H](NC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccncc1	734654724	XCSOTOJBAKHMCQ-CIYVXTGLSA-N	409.533	5.295	30	20	HKED	
Cc1cc(F)ccc1N1CCC[C@@H](SCc2cc(Cl)ccc2OCC#N)C1=O	735319802	DGLQAIRTTFMXRP-HXUWFJFHSA-N	418.921	5.119	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Cl)cs1)c1nc2cc(C(F)(F)F)ccc2s1	737323963	ZAQPCBSFIUJAAH-GFCCVEGCSA-N	414.861	5.839	30	20	HKED	
O=C(/C=C\c1cnc2ccc(Br)cn12)c1ccc(SC(F)F)cc1	740765590	IIIGHQJAGWHTFS-DAXSKMNVSA-N	409.255	5.308	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21	741194829	OOQORVRZZLTCIF-YWZLYKJASA-N	404.491	5.070	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c(F)c1	741859869	LXOPDBNDHBNQRD-UHFFFAOYSA-N	424.111	6.042	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1ccc(Oc2cnccn2)cc1	743056339	VOFUMZBHBYPAHA-WCIBSUBMSA-N	417.465	5.736	30	20	HKED	
CCOc1cccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)c1	743284644	NVBDOEYPBCGOEC-XSFVSMFZSA-N	424.547	5.174	30	20	HKED	
COc1cc2c(cc1/C=C\C(=O)c1ccc(SC(F)F)c(OC)c1)O[C@H](C)C2	746346324	PJTZTDVQCWTBNO-TXNVCOODSA-N	406.450	5.238	30	20	HKED	
CC(C)Cc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1	746416851	QVTCVXQLFBQBIJ-KRWDZBQOSA-N	419.506	5.095	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccccc1	748589572	ZRWJPIRMBFRJNV-LJQANCHMSA-N	414.962	5.060	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C[C@@H](C)c3ccccc3C2=O)cs1	751535299	IRTQUVVGZMIWCI-RGHBXIHOSA-N	406.482	5.740	30	20	HKED	
C/C(=C\C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)c1ccccc1OC(F)F	753238090	GWLBIWSRYBNVMU-WYMLVPIESA-N	422.435	5.004	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NCc3ccc(C#N)cc3OC(F)F)cccc21	753976866	CXHVNPDGXCXYNN-UHFFFAOYSA-N	415.440	5.069	30	20	HKED	
CC(C)Oc1ccccc1C=NO[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	757617090	YDIKMBNXIIRJAX-ZDUSSCGKSA-N	420.296	5.942	30	20	HKED	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	757656782	CGENPGAAJHSTPV-SJORKVTESA-N	400.478	5.129	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2Cl)cc1CNCc1ccc(OCC#N)cc1	763472803	HOZIZEUVZOGFCV-UHFFFAOYSA-N	408.933	5.015	30	20	HKED	
Cc1nc([C@H](C)OC(=O)c2c(F)cc(C#N)cc2F)oc1-c1ccc(Cl)cc1	764011665	KCJWHGOGONNTBG-NSHDSACASA-N	402.784	5.371	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(Cl)c1	766264769	QLMJHECRWUMKRK-CQSZACIVSA-N	417.843	5.429	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	770471290	ROTMYXBKZCNAGY-ABAIWWIYSA-N	417.303	5.568	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(OC)cc1	776085200	YYUZQXFCNDQTFZ-HZPDHXFCSA-N	412.461	5.467	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSC2CCCCC2)nc1	781054574	BCOVYZBCHCSUCC-UHFFFAOYSA-N	405.523	5.195	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)N4CCC(CC#N)CC4)cc3C2)cc1	781902598	QYJNTAYTNONPLT-UHFFFAOYSA-N	402.542	5.488	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc12	786315094	WRKFZDALXKAMQU-OXQOHEQNSA-N	401.510	5.134	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	793596209	VJYVZUIIUKLXNQ-FCHUYYIVSA-N	419.525	5.254	30	20	HKED	
N#Cc1cc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])nc2ccc([N+](=O)[O-])cc12	795252891	RVJJDZYBXUYNFW-UHFFFAOYSA-N	405.153	5.022	30	20	HKED	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	798008229	DGBZFXNHEZYIGZ-ISJGIBHGSA-N	411.505	5.418	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)cc1C#N	806363459	ABSQVTTXRAVNSO-IIBYNOLFSA-N	406.486	5.132	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)c1ccnc(O)c1	806555599	GPJIRSYLNIQBQI-AATRIKPKSA-N	422.699	5.197	30	20	HKED	
C[C@@H](c1ccccn1)N(C(=O)c1cc(C#N)ccc1Cl)c1ccc(N(C)C)cc1	808701731	GTEHVEIHRZOELA-INIZCTEOSA-N	404.901	5.081	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2s1	916847584	KIOCZSWFUDIZSY-JQWIXIFHSA-N	407.347	5.960	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916884748	ZXSFJRUUXLKQAD-SFHVURJKSA-N	418.465	5.141	30	20	HKED	
N#C[C@H](C(=O)CCCc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995411	FLHQAKYRUIAGPL-OAHLLOKOSA-N	421.374	6.378	30	20	HKED	
Cc1c(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cccc1NC(=O)c1ccccc1	917557725	TWMDSBDGUNZNHE-UHFFFAOYSA-N	409.829	5.265	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC	917561321	ARXMMIODJPZDMP-DHZHZOJOSA-N	422.506	5.049	30	20	HKED	
N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(-c2ccncc2)cs1	920268699	PHTMWQHCAXIAOW-GOSISDBHSA-N	414.490	5.059	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	921149422	SNQNJYYDOXFAQG-UHFFFAOYSA-N	405.262	5.216	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C(F)(F)F)cnc1O	1442109277	BDARGJKMJDKIOH-UHFFFAOYSA-N	413.355	5.031	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2nc(O)oc2c1	1667788043	ODLRSYACCYKCBP-MGPUTAFESA-N	412.449	5.072	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3coc(C(C)C)n3)CCC2)cc1	1786102616	RTBBRTOCVCMWGO-UHFFFAOYSA-N	421.541	5.314	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC)cc3)CCC2)cc1	1789451686	SJWITSKGVBYWHT-QHCPKHFHSA-N	417.553	5.244	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cnc3Cl)CCC2)cc1	1791247498	ZICCNISYZHAAGH-MRXNPFEDSA-N	411.933	5.003	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccccc3)CCCC1)C2	1798590930	GBRMERYJFQIISN-NUNAXRQHSA-N	422.613	5.129	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1	1831599557	SYTILJAEBOTJJJ-OFVILXPXSA-N	424.629	5.184	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(C)c2)cc1	10167401	KEVSERXOPRHOKO-UHFFFAOYSA-O	417.598	5.903	30	20	HKED	
CCc1ccc(N(C(C)=O)c2nc(CSc3nc(C)cc(C)c3C#N)cs2)cc1	10266919	DJNDAGSGICVBHZ-UHFFFAOYSA-N	422.579	5.566	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2Cl)c1	10826859	GITZUMRJBQNLOA-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1/C(O)=N/c1nnc(C(C)C)s1	22501985	DIEXDVJWLJHCRM-UHFFFAOYSA-N	412.462	5.749	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1	45716196	QOYHVPMCLKADFZ-ZDUSSCGKSA-N	407.461	5.523	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccccn1	46440505	MTYOGEDFTPBGPW-KRWDZBQOSA-N	409.854	5.284	30	20	HKED	
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1	59813324	YNNBHKBATLBCJM-QGZVFWFLSA-N	418.468	5.134	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1ccc(F)cc1F	60423877	QEBDZONJVNWYTO-CYBMUJFWSA-N	405.445	5.314	30	20	HKED	
Cc1nc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)sc1SCC#N	107915386	FSXYWXMLXVPPKI-UHFFFAOYSA-N	420.972	5.405	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1	116002843	UDAIFCCRRIXPET-SFHVURJKSA-N	415.924	5.135	30	20	HKED	
CCOc1c(OC)cc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cc1OC	207564867	ONQQDVVHCBGMDI-ATVHPVEESA-N	421.518	5.439	30	20	HKED	
COc1cc(C)c([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC	237285381	ONNQHIRZUVHJIH-IBGZPJMESA-N	416.521	5.314	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c(F)c1	237710749	RLKHNOKPNWRHGA-UHFFFAOYSA-N	411.820	5.341	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F	303805480	AXBVCRASQSVXHQ-MJGOQNOKSA-N	405.404	5.074	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)s1	430588290	CWEGWXJOQSZVDT-GOSISDBHSA-N	421.497	5.322	30	20	HKED	
Cc1ccc2c(c1)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)C2	432082710	VYDXRWROIKOXDC-UHFFFAOYSA-N	401.441	5.133	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(O)(Cc2cccc(C)c2)CC1	432587190	IUSPSITTWQQABJ-UHFFFAOYSA-N	406.570	5.448	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1	432809132	OGYPIHWSUOPDNP-UHFFFAOYSA-N	405.420	5.298	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)s1	433182083	ZLWWQQTVIPBOQT-UXHICEINSA-N	419.554	5.637	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	434617223	SHVLRXBSYDLYAX-MOPGFXCFSA-N	424.909	5.121	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	436343018	MWJHQIYZJNQEOZ-RBBKRZOGSA-N	417.896	5.439	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	436343019	MWJHQIYZJNQEOZ-UNMCSNQZSA-N	417.896	5.439	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1F	438661844	AZPRXFQJTOIVCL-FQEVSTJZSA-N	402.429	5.254	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccc(C(F)(F)F)cc1	442282726	IZPIXSBKPITDIZ-FFZOFVMBSA-N	420.479	5.202	30	20	HKED	
N#C[C@@H](C(=O)c1ncccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F	442522849	HPPSVYGHSYUOMW-HNNXBMFYSA-N	404.376	5.109	30	20	HKED	
Cc1c(Br)cccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	442861655	DOEPJWDSYAOTGD-MRXNPFEDSA-N	422.307	5.243	30	20	HKED	
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CC1	444402105	ZGFJDUBVHRIXNQ-SFHVURJKSA-N	415.493	5.682	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN1CCC(c2nc3cccc(C)c3o2)CC1	444780203	FDGLERNVBWVNBA-UHFFFAOYSA-N	421.566	5.232	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c(Cl)c1	448156963	VBEMJQPQMPWJIC-UHFFFAOYSA-N	406.338	5.654	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(-c4cccnc4)cc3)c2)cc1	464895700	BNVZBYYPVSSOMT-UHFFFAOYSA-N	405.457	5.343	30	20	HKED	
Cc1cccc(-n2c(SCCCSCC#N)nc3cc(Cl)ccc3c2=O)c1	466610189	WNZUYGCVZDSXSW-UHFFFAOYSA-N	415.971	5.087	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCCc2cccc(C#N)c2)cc1	466814018	ICMBCSKDEQXJJF-IBGZPJMESA-N	413.521	5.179	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1Oc1ncccc1Br	468594082	DDAAJLFTPXFGCM-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C[C@H](c1nnc(SCc2ccc(C#N)c(F)c2)n1-c1ccccc1)N1CCCCC1	478539190	NJOKVZYNFAEXLE-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	480581891	TVEXQVINGJOFPP-PGRDOPGGSA-N	422.598	5.113	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccc(Cl)cc2C#N)c2ccccc2)cc1OC	480897212	KUAJXXGXTYJPEU-JOCHJYFZSA-N	406.913	5.302	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(Oc2nccc(C)n2)cc1)c1ccc(F)c(F)c1	481059089	MBQFOTYYDLRDPR-FQEVSTJZSA-N	410.424	5.294	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@](C)(CC(=O)OC)c1cccc(OC)c1	482188907	SUNXDGXDSNMUNC-RUZDIDTESA-N	424.541	5.147	30	20	HKED	
C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	485624510	IAHAGXVPFJTINN-GOSISDBHSA-N	402.469	5.086	30	20	HKED	
COCc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	488379928	NWEVNFNIQKWSBE-UHFFFAOYSA-N	408.445	5.039	30	20	HKED	
Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	491481714	NDAHHSGBFJAZJW-RXVVDRJESA-N	423.582	5.231	30	20	HKED	
COc1cccc(SCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	498488992	MBXXEIXLRRAFFA-UHFFFAOYSA-N	420.509	5.340	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)N[C@H](C#N)c3ccccc3Cl)c12	499968775	NTVPQUYLTXSDRH-GOSISDBHSA-N	420.856	5.083	30	20	HKED	
N#CCCn1cc(CNCC2(Sc3ccccc3)CCCC2)c(-c2ccccc2)n1	500922033	RTLAYMAFXDKXFB-UHFFFAOYSA-N	416.594	5.658	30	20	HKED	
CN(C)c1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)c(C(F)(F)F)c1	502230445	KMDZRGSPMHEPJK-UHFFFAOYSA-N	406.408	5.098	30	20	HKED	
C[C@H](Sc1nc2ccc(Cl)cc2o1)C(=O)N(CCC#N)c1ccc(F)cc1	502851562	OQDXLNXNMHMVDP-LBPRGKRZSA-N	403.866	5.048	30	20	HKED	
C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cc2ccccc2s1	504455064	ASECPVOJTQWVPO-INIZCTEOSA-N	405.523	5.087	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OCCC(C)C	505365007	YLVZTVGZPYCOEE-MSOLQXFVSA-N	409.530	5.113	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c(C)[nH]c3ccccc23)cc1	505648424	OGTDGMPAUFAWFT-UHFFFAOYSA-N	411.461	5.330	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccc(Cl)cc1	505814773	IAMDJNIBTQJEKP-MRXNPFEDSA-N	410.886	5.040	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	508090113	WKTQUGFDIWDHOT-UHFFFAOYSA-N	403.530	5.316	30	20	HKED	
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@](O)(C(F)(F)F)CC1	512557444	RENTWFFUFRBCCF-IINYFYTJSA-N	423.319	5.565	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	513682650	XORQJKZRKSAXEH-HXUWFJFHSA-N	410.498	5.634	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N	513950769	WSKIMURRJBZKAT-HNNXBMFYSA-N	407.901	5.544	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(C2CC2)s1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	517278275	ZSMKEVINNGEUIR-UTQJESMHSA-N	409.580	5.435	30	20	HKED	
CCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1OC	517343095	CSHJNRULSPMRQT-CQSZACIVSA-N	413.688	5.049	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1	518670646	GSEKADZHEKSUQP-KBPBESRZSA-N	416.568	5.022	30	20	HKED	
CCCn1c(C)c(C(=O)Nc2ccccc2SCCC#N)c2cc(OC)ccc21	519407031	PFQQPLGCEIMZJL-UHFFFAOYSA-N	407.539	5.626	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccccc2F)o1	520923990	CMNZQCKLVBVVDQ-OAHLLOKOSA-N	409.486	5.446	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)cc(OC)c1OC	521526466	QSIJACJEQRPYES-UHFFFAOYSA-N	423.431	5.491	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2	523064882	XFEWMDMBJZSUPH-UDLNKVAWSA-N	401.535	5.405	30	20	HKED	
CCOc1cc(N[C@@H](C#N)C2CCCCC2)c(OCC)cc1NC(=O)c1ccccc1	523738287	LVTAVFBGMGGDSZ-QFIPXVFZSA-N	421.541	5.621	30	20	HKED	
C=C(C)COc1cc(CNC2(c3cccc(Br)c3)CC2)ccc1OC	525400861	CRMZSACZGCUJBT-UHFFFAOYSA-N	402.332	5.192	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(Cc2ccccc2F)CC1	532032305	OEXSQGWJOYPDHT-KRWDZBQOSA-N	411.546	5.564	30	20	HKED	
C=CCC[C@@H](Nc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(C(F)(F)F)cc1	533545129	YXZYWKVIQLRJHO-MRXNPFEDSA-N	419.451	5.425	30	20	HKED	
N#CCCCOc1cccc(N[C@@H]2CCCOc3ccc(Br)cc32)c1	540726073	VIQXYICULOZFIV-LJQANCHMSA-N	401.304	5.457	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1oc2c(ccc3ccccc32)c1C	541352722	FGIZWNVNUQSBGE-UHFFFAOYSA-N	400.434	5.044	30	20	HKED	
COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543961409	IHPGSVKUOZCQMF-ZWKOTPCHSA-N	413.521	5.604	30	20	HKED	
Cn1c(SCc2ccc(CC#N)cc2)nc2scc(-c3cccs3)c2c1=O	544076300	HOHZHCXIDYKABP-UHFFFAOYSA-N	409.561	5.082	30	20	HKED	
COc1ccc2nc(-c3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)ccc2c1	547045089	WRBCNIZYNJGPPD-UHFFFAOYSA-N	421.416	5.019	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1	549275279	ZVNVMURKCPUQHR-UHFFFAOYSA-N	421.010	5.053	30	20	HKED	
CC(C)c1ccc2occ(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c2c1	553189017	XJRHEMXETYGCFP-UHFFFAOYSA-N	415.493	5.391	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1c(F)cncc1F	553762069	ZNQWOXUQIYTVQY-GFCCVEGCSA-N	413.811	5.168	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F	554763673	HLKYTCSYZZDOQQ-OAHLLOKOSA-N	405.420	5.330	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=O)Nc3cccc(OCCCC#N)c3)c2)cn1	555038620	JSCUSSQGANXMTM-UHFFFAOYSA-N	416.481	5.392	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	558338945	IJHLTBWJADDCGP-WFXMLNOXSA-N	423.582	5.952	30	20	HKED	
O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	558768350	PIGCOHROVJHEMI-UONOGXRCSA-N	412.349	5.193	30	20	HKED	
Cc1cccc(Oc2ncccc2NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1C	559994628	FSACDOKHAWLVRJ-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
Cc1csc(CCCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	567065845	OABVIZJYGSKCKN-UHFFFAOYSA-N	407.514	5.014	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2[C@H]3CC[C@H]2c2ccccc23)cc1Cl	567798691	QORPGWMQEMJCOZ-NHTMILBNSA-N	413.908	6.419	30	20	HKED	
CC1(C(=O)N2CC[C@@](C)(c3ccccc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1	568374717	ARSBAVWWSZLIHX-RUZDIDTESA-N	421.972	5.008	30	20	HKED	
COc1c(Cl)cccc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	569370269	SPPAETYAHDNQPE-UHFFFAOYSA-N	418.324	5.119	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1	572508821	NMQIFNZKRMAETB-AWEZNQCLSA-N	419.472	5.910	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1	589740535	XPIRFYVTVUFEMI-HXUWFJFHSA-N	404.869	5.039	30	20	HKED	
Cc1c(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)sc2ccc(C#N)cc12	590078164	KQSYBWNHGGHJDW-UHFFFAOYSA-N	409.474	5.043	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	592974655	WODXJTWSFOULTL-CYBMUJFWSA-N	411.845	5.542	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1OCC(F)(F)F	603897967	REBJKCYBBKAFEJ-UHFFFAOYSA-N	404.319	5.151	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2)cc1	604456747	YIVITYNOWGOHJR-WWVRUBFXSA-N	402.494	5.010	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	609104892	QDCSLWBCCPDCFH-UHFFFAOYSA-N	402.425	5.093	30	20	HKED	
Cc1cccc2sc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c(Cl)c12	609427536	ICVPEQZBZBHATQ-ZDUSSCGKSA-N	400.956	6.510	30	20	HKED	
COC(=O)c1sc2cccc(F)c2c1CNc1ccccc1S[C@@H](C)CC#N	609431140	XBLJSTREOIEMRR-ZDUSSCGKSA-N	414.527	5.833	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc4ccccc4n3)c2)cc1	609639275	XKZYDYBJIOGHGQ-UHFFFAOYSA-N	422.488	5.202	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2COc3c(Cl)cccc32)cc1	610714561	JQULRFZHYOGBBO-FQEVSTJZSA-N	420.921	5.367	30	20	HKED	
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(SC2CCCC2)cc1	610809755	UIQOKVQPQFECCO-SFHVURJKSA-N	406.599	5.308	30	20	HKED	
C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1	612574857	MDXKTZCSFOWUKW-DIFFPNOSSA-N	415.228	5.804	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc2ccccc2s1	613289555	HZNVCTNPTLMXLU-VIFPVBQESA-N	403.315	6.308	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc(-c2c(F)cccc2F)cs1	620304486	DJCWHJZVHRGIBA-ZDUSSCGKSA-N	423.469	5.702	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)nnc1C1CC1	639395664	SQSCZAQVBUGXMW-MRXNPFEDSA-N	424.492	5.116	30	20	HKED	
Oc1nc(CNc2cccc(C#Cc3ccccc3)c2)nc2cc(C(F)(F)F)ccc12	641961147	PDSHXLVOARRILH-UHFFFAOYSA-N	419.406	5.366	30	20	HKED	
C[C@H](N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	644554311	WJRKEUHWXROBCO-AQUOVQTQSA-N	409.292	5.221	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(Sc2ccccc2)c1	672659326	VXNZDDVZOFVQOD-UHFFFAOYSA-N	408.523	5.533	30	20	HKED	
FC(F)(F)c1ccc2oc(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)nc2c1	675885574	YSDVKROJLSDDSW-NXEZZACHSA-N	420.275	5.409	30	20	HKED	
CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	679353613	GBZAUWQSQZTOMX-QWRGUYRKSA-N	416.337	5.208	30	20	HKED	
FC(F)(F)COc1ccc(NN=Cc2ccccc2OCc2cccnc2)cc1	727261557	CZZJYTYIAHSSET-UHFFFAOYSA-N	401.388	5.048	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1ccc2c(c1)OCCCO2	727277660	ASWMRLBIVVDJAX-UHFFFAOYSA-N	415.518	5.123	30	20	HKED	
O=C1/C(=C\c2ccc(-n3cncn3)cc2)CCc2nc(-c3ccc(Cl)cc3)sc21	728439320	ZOTJPOYDBSXQMW-WJDWOHSUSA-N	418.909	5.257	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(CC#N)c2)c(C(F)(F)F)c1	729655541	SJICTDJPDMUMBR-UHFFFAOYSA-N	419.403	5.371	30	20	HKED	
N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1ccc2ccccc2n1	730917077	GEPFOJCJPONJAQ-OAQYLSRUSA-N	408.457	5.069	30	20	HKED	
CC(=NOCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc2ccccc2o1	731029796	HSGWOTMBIURWMA-OAHLLOKOSA-N	407.495	5.206	30	20	HKED	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	733679127	DJGRJDCZNGGATI-WFASDCNBSA-N	400.862	5.246	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)c1	733774526	HDZPYDHRSJOWEP-GOSISDBHSA-N	406.457	5.016	30	20	HKED	
C=CC[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccncc1	734455595	ILFOIUDNFCCZNJ-GOSISDBHSA-N	417.456	5.200	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCSc4c(F)cccc43)c2)s1	740034798	ZNVGXDMEYFHNKD-LJQANCHMSA-N	423.538	5.462	30	20	HKED	
CC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc2ccccc2[nH]1	740064762	TYFQICSYWLAKBM-SFHVURJKSA-N	415.522	5.114	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)ccc1OC(F)F	741753061	RNMPHNDSBYELKG-LLVKDONJSA-N	423.803	5.112	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1csc(-c2ccc(C)cc2)n1	743838217	SSUMAOKPTQTVCR-UHFFFAOYSA-N	409.536	5.004	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NOCc1cccnc1	746588510	PHBXRQYDHDKBFI-UHFFFAOYSA-N	409.704	5.146	30	20	HKED	
C[C@H](C#N)CN(C)Cn1nc(-c2cccs2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S	746706547	MVADUYNMZZQDBB-DFBDCSAJSA-N	415.632	5.189	30	20	HKED	
C[C@H](OC(=O)COc1ccccc1C#N)c1ncc(-c2ccc(Cl)cc2Cl)o1	753321717	PGYADPYDRTUMGF-LBPRGKRZSA-N	417.248	5.203	30	20	HKED	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	755479229	SCLMLEOERSSWFA-VWLOTQADSA-N	414.505	5.049	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1	756240125	FHRKNCNOWZPZCR-ZDUSSCGKSA-N	424.394	5.792	30	20	HKED	
C[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)c1cccc(C#N)c1	756625296	IWZQVWBATIPQJN-QWRGUYRKSA-N	424.136	5.201	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C)cc2O)cs1	757474974	FAPQDIOEGVICCW-UXBLZVDNSA-N	412.898	5.391	30	20	HKED	
CCN1C/C(=C/c2cnc(C(C)C)s2)C(=O)/C(=C\c2cnc(C(C)C)s2)C1	758422584	DLNRWUPBAYBZAC-DUGOVBPYSA-N	401.601	5.218	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1	759589144	RLFWSVGHJRXPSO-YRBAHSOBSA-N	408.379	5.318	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c1	760397220	UMPCQAMPGVZUJL-OAHLLOKOSA-N	421.349	5.056	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCc1cccc(Br)c1	761000261	AISWDWOEQJFIJD-GOSISDBHSA-N	423.310	5.153	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C/C=C/c2ccc(C(C)C)cc2)ccc1OC	764237237	JXJYXHSLVYQSML-WMWRJIBUSA-N	406.526	5.219	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	767585650	KGSUQCMYROIFLA-PKTZIBPZSA-N	415.493	5.450	30	20	HKED	
CC(C)n1ncc2cc(/C=C3/Cc4c(Br)cccc4C3=O)c(Cl)nc21	773161200	CYGOKLFKEZXTJM-WDZFZDKYSA-N	416.706	5.251	30	20	HKED	
CC(C)(C)C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(F)cc1	775140174	YJHPZMIUYKNDFU-TZIWHRDSSA-N	416.500	5.130	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3ccc4ccccc4c3)n2)cc1	780327071	DKQMYFMWWGTHAH-QFIPXVFZSA-N	423.497	5.480	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1CN(C)C1CCCCC1	780457146	LRFKYLKNFTWWAB-SFHVURJKSA-N	406.530	5.386	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)C3)cs1	780672901	LDRSBZOEKIGMBW-CYBMUJFWSA-N	424.551	5.061	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc2cc(F)ccc2s1	781469408	LEFCHSROTKEZMM-AWEZNQCLSA-N	422.378	5.501	30	20	HKED	
Cc1ccc(Br)nc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	786615836	VLJHSPVPAKQGPI-GOSISDBHSA-N	406.283	5.060	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)cc1	787614798	AKQUMPPADQMWCK-XMMPIXPASA-N	409.489	5.187	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nccc2ccccc12	792105685	WUHNXAPZSHIWQQ-IBGZPJMESA-N	418.294	5.206	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1cc(Br)cc2cccnc12)c1ccccc1	795987509	DCCDZLKVIJGUIN-INIZCTEOSA-N	409.283	5.128	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	803521250	BNUDSPYCFUPHGG-GOSISDBHSA-N	422.937	5.018	30	20	HKED	
C#C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1F	806263657	STUOIEMXNCRPOI-DYVFJYSZSA-N	401.894	5.227	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(C2OCCO2)c1)c1ccc(-c2cccc(C#N)c2)cc1	808850904	LSTOTPXIYITFKH-QGZVFWFLSA-N	413.477	5.153	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl	809923805	CUHIHUZGSZAHTQ-LPHOPBHVSA-N	423.413	5.085	30	20	HKED	
CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cc3ccccc3o2)cc1	812422813	HYNOOGMLAOVJEI-UHFFFAOYSA-N	406.511	5.072	30	20	HKED	
CCOc1c(Cl)cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1OC	915114163	FXRXXQOJAAIYKZ-WDZFZDKYSA-N	416.905	5.173	30	20	HKED	
CCOc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	916650575	ZBPNSOQMGCUARN-GOSISDBHSA-N	412.898	5.117	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2ccccc2c1Cl	916898282	AKKQVERDKOENIO-INIZCTEOSA-N	410.926	5.641	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917044232	ROOYCZIEKIBPFP-MRXNPFEDSA-N	418.440	5.659	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	917045414	ZGIQUNYMVYRTAA-IEXSPKMKSA-N	424.909	5.413	30	20	HKED	
C#Cc1cccc(NC(=O)CN(C)C(=S)Nc2c(C(C)C)cccc2C(C)C)c1	917582313	FIVFSLZFIKVPIK-UHFFFAOYSA-N	407.583	5.182	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3C)n2)cc1	920138908	LRWIMTQYFSFUFV-QGZVFWFLSA-N	412.898	5.036	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(Cl)cc3)n2)cc1	920139217	OYEQYIUWLVGGSN-GOSISDBHSA-N	424.909	5.311	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ccc(Cl)cc3)n2)cc1	920142525	QFDYQVWOGPXNBI-LJQANCHMSA-N	405.910	5.534	30	20	HKED	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806229	IXVGNZFERGRDLI-DYVFJYSZSA-N	424.472	5.221	30	20	HKED	
CSc1nc(O)c(C(=O)N(Cc2cccc3ccccc23)C2CCCC2)cc1C#N	1352586702	WSHRUGQNHZPGLM-UHFFFAOYSA-N	417.534	5.119	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)CSc3c(C)cccc3C)cc2)CCC1	1789647512	UJYFVQHIGJCZMB-UHFFFAOYSA-N	408.567	5.106	30	20	HKED	
Cc1cc(Cl)ccc1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1	1792229003	QUICOAWFEXYHEP-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2C)CC1	1828828590	MYWDGJFRVUJSTR-IRLDBZIGSA-N	414.615	5.058	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2F)CC1	1829068679	KFZHWDGQGAJGIF-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2cccc(C)c2)cc1	6026609	GFGPALOSDYEBJS-UHFFFAOYSA-O	419.570	5.349	30	20	HKED	
CN(C)c1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	7586627	NSJMMJKQXRGHMC-XNTDXEJSSA-N	404.897	5.554	30	20	HKED	
CCCNC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	55834441	ZMUVFPPZCDDVEM-UHFFFAOYSA-N	415.518	5.102	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	56610047	AAXYMLXLEHMGQU-MRXNPFEDSA-N	414.465	5.192	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1	60043680	GDOZFPRGGSWVHJ-JOCHJYFZSA-N	410.498	5.976	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(COc2ccccc2)c1	63403136	GMSSBKNFVGXPAX-UHFFFAOYSA-N	411.505	5.035	30	20	HKED	
COc1ccc2oc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)c2c1	64714445	IOYIHWVAXYGUIT-CQSZACIVSA-N	424.428	5.642	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1	72074626	MRKITSLQECEMOZ-CQSZACIVSA-N	423.419	5.076	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	108021148	OJTXPPZSTOERSG-UHFFFAOYSA-N	423.831	5.102	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cc2ccccc2o1	302649288	HOYAVUKJEKWYPB-KRWDZBQOSA-N	412.514	6.088	30	20	HKED	
N#Cc1c(Cl)nsc1N[C@@H](Cc1ccccn1)c1ccc(Br)cc1	302718257	YZHSKGGPBYIWIU-HNNXBMFYSA-N	419.735	5.222	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1	303629979	QMLZLJMERNUAGY-SANMLTNESA-N	417.553	5.086	30	20	HKED	
CC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nccs1	303774523	HPYAIGFYFFYWNS-FQEVSTJZSA-N	406.511	5.061	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1	303842842	MIGMORGCPMRTBS-MBSDFSHPSA-N	414.480	5.295	30	20	HKED	
N#Cc1ccc(NC(=O)CCSc2ccnc3cc(Cl)ccc23)c(Cl)c1	430367760	UOYPNWOPPHZELI-UHFFFAOYSA-N	402.306	5.534	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)sc2nc(C(F)(F)F)ccc12	430584642	PIRQAFQHCUHXQC-LLVKDONJSA-N	423.485	5.868	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccccc1	432840575	CTHPHFBMVHAMPW-NRFANRHFSA-N	406.511	5.279	30	20	HKED	
CCCNC(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Cl	432920844	WNSUNFSATDOUTN-FQEVSTJZSA-N	412.921	5.036	30	20	HKED	
CCc1cncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	434623234	CDSIAKGRBRACGH-HNNXBMFYSA-N	402.306	5.564	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc21	435943717	BRIQWUBVXOZBGR-NRFANRHFSA-N	414.534	5.532	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	436331021	FGOOSRCRXREOOT-PLQHRBFRSA-N	405.445	5.176	30	20	HKED	
O=[N+]([O-])c1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	436402543	XZJJARHAXJZBGF-OAHLLOKOSA-N	410.289	5.536	30	20	HKED	
CC1=NN(c2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2)CC1	437463585	UUFJYNHNHGGLNP-UHFFFAOYSA-N	414.440	5.328	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1-c1ccccc1	437499851	KWLKGMWVIMNRSB-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
CCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	438592222	NXYQCNKFUFWOJJ-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CC2	438668608	YNGZKMBFUJZGCH-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	438829637	KWBXZIFQJNVVNJ-UHFFFAOYSA-N	423.472	5.137	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)c2)cc1	439027588	JCUACRFVHGLPOS-BDYUSTAISA-N	408.501	5.174	30	20	HKED	
Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1CCC(C)C	440804202	VWVXYJLOIJXMCG-UHFFFAOYSA-N	416.525	5.135	30	20	HKED	
CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cn(CCCC#N)c2ccccc12	443897004	CTYHEUPSDHDQHD-UHFFFAOYSA-N	415.415	5.116	30	20	HKED	
Cc1c(F)cccc1NC(=O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	444029832	CSYSPDLWLHXFFC-UHFFFAOYSA-N	419.475	5.176	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1Cl	446842351	VWQCVRQCQOKHTM-CTNGQTDRSA-N	419.916	5.478	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CCOCC2)CC1	460375390	PAWKCILIPRTRGZ-NRFANRHFSA-N	424.589	5.008	30	20	HKED	
N#CCCCOc1cccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c1	463013758	UELIEPJIMQMAAB-JOCHJYFZSA-N	418.884	5.189	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)c1sc2ccccc2c1Br	463468966	IFQOJZJBUGPQRV-UHFFFAOYSA-N	402.317	5.344	30	20	HKED	
COc1cccc(-c2nc(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)c1OC	464820634	XIXJNGUUZRXHKL-LEWJYISDSA-N	419.550	5.099	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1	466951025	ZIMGNKLWURMATQ-RPBOFIJWSA-N	419.569	5.202	30	20	HKED	
N#Cc1ccc(CCC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1	468243722	UOSRYUZMFPDHRP-UHFFFAOYSA-N	423.438	5.134	30	20	HKED	
CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469824602	JGHVMCURJQNAOZ-IBGZPJMESA-N	417.553	5.210	30	20	HKED	
Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1F	474910000	JZZXNNPMMMCWHP-UHFFFAOYSA-N	405.429	5.033	30	20	HKED	
Cc1ccc(-c2cccnc2)cc1NC(=O)c1occc1COc1cccc(C#N)c1	477533274	VQGAKMQVXJSULP-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	477771371	OYDXATVQLGAAAN-UHFFFAOYSA-N	403.935	5.056	30	20	HKED	
C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	480126638	SMHOFAWOCICLDT-IIBYNOLFSA-N	404.901	5.615	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	482379421	SAZHEBAENKZXHC-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CC[C@H]1C(F)(F)F	484010669	OAWVEPSHKMFLRW-CYBMUJFWSA-N	416.337	5.209	30	20	HKED	
CC[C@H](NC(=O)c1cccc(SCC#N)c1)c1cc(F)cc(Br)c1	485646744	YQJOLUHONRMLTE-KRWDZBQOSA-N	407.308	5.085	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1C	488927102	CJDLSWJXOLPQBR-QGZVFWFLSA-N	417.538	5.651	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1ccncc1	496574088	PTNXTSXADADQDM-UHFFFAOYSA-N	401.495	5.006	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cccc(C(F)(F)F)c1F	500247112	VHTUFRXBURHDSI-UHFFFAOYSA-N	413.264	5.567	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(CCN3CCCCC3)cc2)c1	502586255	PZMWIAJVLIPLBH-UHFFFAOYSA-N	406.530	5.042	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1	503135800	DEUVOJDYVKHAJD-GFCCVEGCSA-N	415.490	5.735	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1OC	505690787	WKOSGGYJKBGTPA-INIZCTEOSA-N	411.502	5.026	30	20	HKED	
CC1(C#N)CCN(C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC1	509410797	LWVYOPWYZWSZFU-IBGZPJMESA-N	403.309	5.266	30	20	HKED	
C[C@H](c1cccs1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510009517	KDABZRKVYNGAMZ-BEFAXECRSA-N	409.942	6.282	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3)n2)cc1	516269941	GCTJJLWJWCQWLS-MRXNPFEDSA-N	413.296	5.071	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2ccc(Cl)cc12	516714099	PQOWNOOFXKNISG-KRWDZBQOSA-N	417.877	5.880	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)o1	517800876	MSFBZZQNPPGIMS-HNNXBMFYSA-N	416.487	5.197	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	517905396	ANNCDKOVWYYSAF-XMMPIXPASA-N	413.477	5.728	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1	518522999	TTYMVQNZWAZAMH-YLJYHZDGSA-N	404.963	5.267	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(=Cc2cccc(F)c2)CC1	518755932	SCBZSQFVBUNTTM-KRWDZBQOSA-N	409.530	5.931	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)s1	519485355	VZLSWQVNYCEFIC-FQEVSTJZSA-N	424.566	5.047	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccccc1OC(F)F	520195182	XFKKNRQRGSYBBT-ZIAGYGMSSA-N	405.470	5.565	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc(F)cc3)cc2F)c1	524498216	QXEQVFJMGDYZID-UHFFFAOYSA-N	420.415	5.017	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)c2)c1	524505538	GUDYJCUIQJSNGX-SANMLTNESA-N	419.484	5.052	30	20	HKED	
COc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1-c1ccccn1	534371733	GMPNWLAVLAYLCE-UHFFFAOYSA-N	412.474	5.005	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1	534747683	GZJAXYNKKKYMSW-UHFFFAOYSA-N	416.481	5.033	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)Cc1cccs1	535980484	KSANFICUYDQTQX-UHFFFAOYSA-N	417.987	5.731	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1	536910012	NXMFNFXTLXYMOL-UHFFFAOYSA-N	407.926	5.442	30	20	HKED	
COc1ccc(C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2ccccc2)cc1OC	537408199	YVTWTBCJSFBUTF-GAJHUEQPSA-N	404.485	5.349	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCn1c(C2CC2)nc2ccccc21	537641977	LYZXOGFSLQZDCD-INIZCTEOSA-N	404.539	5.337	30	20	HKED	
CCOc1ncccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	538767568	SCLSWCLKQBXIOZ-CQSZACIVSA-N	418.305	5.401	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1	538784068	YCRCVEZARHFWLE-GTPINHCMSA-N	417.575	5.103	30	20	HKED	
C=CCn1c(SCc2ncc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1	539628992	OLPQSZZKSSYGHK-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
N#CCCn1cc(CNc2ccc(OCc3ccccc3)nc2)c(-c2ccccc2)n1	540807199	CSIVVIVAFUFYOT-UHFFFAOYSA-N	409.493	5.050	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SC4CC4)cc3)n2)cc1	541198931	GQAZYFXYYRSQPY-IBGZPJMESA-N	401.516	5.426	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(-c2ncco2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542031938	CLVFAWYOYXMTQC-QGZVFWFLSA-N	408.461	5.763	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3nc4ccccc4n3C3CC3)c2)c1	544939088	SGXPWKBNXYWLCY-UHFFFAOYSA-N	408.505	5.112	30	20	HKED	
CO[C@@H](c1ccc(F)cc1)c1noc(-c2cccc(COc3cccc(C#N)c3)c2)n1	545801200	DOHQMZBPAWSINP-QFIPXVFZSA-N	415.424	5.062	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1	553071642	SYZKDWMLWWUFDL-CQSZACIVSA-N	419.472	5.768	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCCc3sc(Cl)cc32)c1	553508115	SCDWSFSNWQMOCX-KRWDZBQOSA-N	412.898	5.253	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OC1CCCC1	557728672	VCZQZRWQCARXTE-QGZVFWFLSA-N	409.555	5.724	30	20	HKED	
C=CCN(C(=O)c1cc(C(C)C)oc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	564043100	JCYPWSJYRLHDLI-UHFFFAOYSA-N	411.483	5.576	30	20	HKED	
CN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	566879019	CCXGKWACPACGMV-XBXGTLAGSA-N	423.357	5.084	30	20	HKED	
N#CCCC[C@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccccc1	571423896	NPMXMJYURUHDQE-IBGZPJMESA-N	415.331	5.135	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1	579163808	BHVADVIBBYLESG-FCHUYYIVSA-N	405.498	5.080	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c2ccccc21	584508641	RGCGVUYFXKPVPC-UHFFFAOYSA-N	415.537	5.136	30	20	HKED	
CC(F)(F)c1ccc(-c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)cc1	589373612	MZLAWCUBTALMQX-UHFFFAOYSA-N	412.415	5.243	30	20	HKED	
Cc1c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)sc2ccc(C#N)cc12	590068718	WDFPHIDNHWECDW-INIZCTEOSA-N	401.491	5.242	30	20	HKED	
O=C(NCc1ccccc1OCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1F	590329246	UAWQJNSVBKMBQZ-UHFFFAOYSA-N	410.289	5.107	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1	601187272	JXGISEIIODFXSL-VWLOTQADSA-N	411.505	5.249	30	20	HKED	
CCOC(=O)c1sc(NC(=O)Cc2coc3ccc4ccccc4c23)c(C#N)c1C	603444728	TYBHNFFGIZEHIA-UHFFFAOYSA-N	418.474	5.186	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1	603830532	KTHCININHCUQRI-UHFFFAOYSA-N	415.459	5.648	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ccc(Cl)s3)c2)c1	603994651	ASFWEHAQXGRPNW-UHFFFAOYSA-N	409.898	5.097	30	20	HKED	
CCCOc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc2ccccc12	604135894	ZJSUEANSCOIBMR-MRXNPFEDSA-N	420.419	5.258	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	608916208	PHDTZRXEZRUUOT-UHFFFAOYSA-N	412.493	5.253	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609176640	QMCGWFPYBCKCNX-HNNXBMFYSA-N	419.462	5.378	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccccc3OC(F)F)c2)cc1	609209000	OEOHNEVXBDDMRM-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1Oc1ccncc1	609662493	QMOCEZGLJRFRMN-SFHVURJKSA-N	412.276	5.484	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(c4ccccc4F)CC3)cc2)cc1	609864096	GMYVLECVDFMTST-UHFFFAOYSA-N	414.480	5.704	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CSc4ccccc4C#N)nc(O)c23)cc1	610206540	HKULTIOERMLKFC-UHFFFAOYSA-N	403.532	5.845	30	20	HKED	
CC(C)(CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1	611093747	AISFXBDBXAKCQJ-UHFFFAOYSA-N	415.242	5.591	30	20	HKED	
Cc1sc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)nc1-c1ccc(Cl)cc1	614184823	QSFJNERHUSQJAJ-OAHLLOKOSA-N	409.986	6.424	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1NC(C)=O	726428339	KEQLGYPBQYISDH-VQHVLOKHSA-N	422.462	5.186	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)c1	726733420	YAKKZYFSOGVOAG-GOSISDBHSA-N	424.909	5.347	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1	726940391	IMIITUKXRMFKOR-UHFFFAOYSA-N	417.557	5.487	30	20	HKED	
C#CCN(C(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1)C1CCCCC1	727309447	HAXWXLIHJCQMFZ-UHFFFAOYSA-N	417.549	5.195	30	20	HKED	
COc1ccc(N=Cc2c(O)cccc2OC)cc1OCc1ccc2ccccc2n1	727973265	WXRGZMQJKARNQX-UHFFFAOYSA-N	414.461	5.287	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(Cc3ccccc3)CC2)c1	728182085	UNIHDSGYFSVFEP-UHFFFAOYSA-N	414.574	5.175	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C#N)cc3)c3ccccc3C2=O)cc1	728695771	GKJNRZQJOMXKPP-BEXDPUPVSA-N	408.457	5.014	30	20	HKED	
CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21	728845802	SPQODBBEBDBGPH-YOCVDRLZSA-N	413.340	5.029	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H]3CCCc4ccccc43)n2)cc1	731137352	GFVGVENUKLCSGX-WIYYLYMNSA-N	402.519	5.505	30	20	HKED	
N#CCOc1ccc(COC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	733494380	ABFLFWSMJVNLRI-JWQCQUIFSA-N	413.473	5.015	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2cccc3ccccc23)ccc1OC	733639572	FXXRNFAOLDBREY-XLIONFOSSA-N	417.509	5.090	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(OCc3ccc(C)cc3)cc2)c1	733800289	LCPOQSRXYBVCIH-XMMPIXPASA-N	400.522	5.545	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)o1	734304748	VESHZYAOVWZSIC-JXMROGBWSA-N	405.469	5.251	30	20	HKED	
COc1cc(COC(=O)[C@@H](C)c2ccccc2F)ccc1OCc1cccc(C#N)c1	735144593	RFDMPNJRNXDPEB-KRWDZBQOSA-N	419.452	5.132	30	20	HKED	
C[C@H](Sc1nnc(CSc2nc3ccccc3s2)n1C)c1ccc(C#N)cc1	735616979	PSAFJMDSNFZKCL-ZDUSSCGKSA-N	423.592	5.442	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2	736274818	OZPIOLNQQBDRDE-UHFFFAOYSA-O	417.957	5.022	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	739181833	XUNBWDVSPJIJOD-XHDPSFHLSA-N	406.404	5.824	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744028485	LDKFTBXQJMPLHI-OCKXMSAZSA-N	422.406	5.609	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2[C@@H](CC)c2ccccc2)c1=S	746709667	ASHCNKOBTIJLOA-VXKWHMMOSA-N	419.598	5.278	30	20	HKED	
CC[C@@H](C(=O)N1CCC(/N=C\c2cc(Cl)cc(Cl)c2O)CC1)c1ccccc1	749103753	AOWGLUSUJAKMNS-LPANUZLBSA-N	419.352	5.303	30	20	HKED	
N#Cc1ccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)[nH]1	752471155	NRYZYUCUALLFCI-UHFFFAOYSA-N	400.488	5.121	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CSc2ccc(Br)cc21	753144071	XTTBEQOZYHYLOA-KPKJPENVSA-N	415.337	5.340	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(Sc2ccc(Cl)cc2)c1	759190562	BBSRTCVEONOWHB-MRXNPFEDSA-N	422.937	6.343	30	20	HKED	
COc1cccc(C=NO[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1OC	760417806	UWDGCVPVLAXXIF-LLVKDONJSA-N	422.268	5.172	30	20	HKED	
Cc1nc([C@@H](C)N2CCO[C@@H](c3cccc(C#N)c3)C2)oc1-c1ccc(Cl)cc1	761762831	WLYXEUICZLZKGD-IIBYNOLFSA-N	407.901	5.310	30	20	HKED	
N#Cc1ccc([C@@H](O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1	763225024	JAUCJXJELBARCA-FQEVSTJZSA-N	424.957	5.411	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccc(-c4ccccc4)cc3)n2)cc1	768127254	OZCSWOPLMDWBQU-QFIPXVFZSA-N	420.497	5.595	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN(CCC#N)Cc1ccccn1	769335616	OSNUULGNSONYHZ-UHFFFAOYSA-N	407.949	5.019	30	20	HKED	
CCCCN(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	770097875	APQDHMFJANIHPY-QGZVFWFLSA-N	418.324	5.191	30	20	HKED	
N#CCCn1cc(CNc2ccc3c(c2)OC2(CCCCC2)O3)c(-c2ccccc2)n1	770512355	OCRMPTSSENUEHC-UHFFFAOYSA-N	414.509	5.507	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccnc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	771260675	JOZJRUIORGHCSJ-AZEYQONTSA-N	407.804	5.253	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccccc4)sc32)c1	772985757	YEQZIFWSZSQQQX-CTNGQTDRSA-N	403.551	5.658	30	20	HKED	
COc1ccc(-c2n[nH]cc2CNc2ccc(OCc3cccc(C#N)c3)cc2)cc1	779594330	GTIKLLJDCFSFIU-UHFFFAOYSA-N	410.477	5.148	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1ccc(Br)c(Br)c1	779989763	ZNOJKJFJNUBAQO-NSHDSACASA-N	410.109	5.115	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccccc3O[C@H](C)C#N)c2C2CC2)cc1Cl	780152035	PVCFZVXGQMRPEC-OAHLLOKOSA-N	420.900	5.255	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc3ccccc3s2)cs1	780189112	TVIYMFWPPNBFMD-DHZHZOJOSA-N	422.506	6.078	30	20	HKED	
CCC[C@@H]1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	780311871	GGEWGTXQULQBLG-XPKDYRNWSA-N	423.365	5.888	30	20	HKED	
Cc1ccc(C(C)C)c(OCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1	780329401	NRDZBCKKHBKRNP-LJQANCHMSA-N	405.523	5.282	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2ccnc(Oc3ccccc3F)c2)cc1Cl	782428743	ZIZSCLQDDXFJRX-UHFFFAOYSA-N	412.877	5.025	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(I)o1	789721305	ZNIMFQBIXNFZIX-ZRDIBKRKSA-N	421.278	5.388	30	20	HKED	
N#C[C@H](C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)c1nccc2ccccc12	792107099	UOETWNCRWPUAIB-FDDCHVKYSA-N	421.903	5.431	30	20	HKED	
Cc1ccccc1[C@H](C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)CC(C)C	792923812	CUFUSVFPXDRGDJ-SIKLNZKXSA-N	412.537	5.251	30	20	HKED	
CCN(Cc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1)C(=O)OC(C)(C)C	793091640	JZERAKWCXGCHKK-FQEVSTJZSA-N	421.541	5.470	30	20	HKED	
C=CC[C@H](OC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1	797554273	RRNVGKJQLDVIHL-SFHVURJKSA-N	413.322	5.012	30	20	HKED	
CC[C@](C)(C#N)C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	803783184	UUZQQBJMEJUUBX-IQMFZBJNSA-N	421.522	5.082	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C2=CCCC2)cc1	811257786	FXNOWCBDKOZRED-KRWDZBQOSA-N	420.534	5.301	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(C(F)(F)F)ccn1	813213416	LXXKSXKQGNVLCO-CQSZACIVSA-N	416.296	5.166	30	20	HKED	
CCOc1ccc(NN=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)cc1	814985148	UJIQZFYEXTXMLF-UHFFFAOYSA-N	414.918	5.326	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2C)c1	915085116	GNHOMMUEDWRNMB-DEOSSOPVSA-N	406.489	5.397	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104762	LDVFDMDGYPZEJV-JQWIXIFHSA-N	424.831	5.612	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNCc1ccc(C(F)(F)F)cc1	915972678	RYIZVUVEODXJIN-UHFFFAOYSA-N	420.866	5.792	30	20	HKED	
O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1ccc(Cl)cc1Cl	916137525	CXXWSUIBLXAFON-YVMONPNESA-N	413.304	5.274	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CCCCCC2	916898699	DTVGWGGDFJTRJL-IBGZPJMESA-N	408.567	5.493	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12	916915371	IVDIVCMADIQATG-IBGZPJMESA-N	408.910	5.323	30	20	HKED	
N#C[C@@H](C(=O)COc1ccccc1C(F)(F)F)c1nc2cc(Cl)ccc2s1	917047016	OPGFWWBSEJQSLU-NSHDSACASA-N	410.804	5.224	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1	1791248210	VOTGSINJIZELNY-AWEZNQCLSA-N	420.431	5.258	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2C)CC1	1828828591	MYWDGJFRVUJSTR-RBBKRZOGSA-N	414.615	5.058	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(C)c(F)c2)c1	14872445	VILFTPUVBNSOPJ-UHFFFAOYSA-O	407.534	5.398	30	20	HKED	
C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nc2ccccc21	59738921	VTXITCVCHDISAX-UHFFFAOYSA-N	403.507	5.038	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N(CCC#N)c2ccc(OCC)cc2)cc1OC	104862381	SBCLJKSXKBYVST-UHFFFAOYSA-N	416.905	5.097	30	20	HKED	
N#CCSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl	209035644	MGSHCKYHYPNPHB-GXDHUFHOSA-N	422.724	5.647	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1	247654147	OMIVMZVEIVLNDB-UHFFFAOYSA-N	401.432	5.139	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C2SCCCS2)cc1	302372129	NVGLIYYTPJKVDJ-UHFFFAOYSA-N	410.029	6.099	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1CSc1cccs1	303082235	VXXPKTBTWTZKEK-UHFFFAOYSA-N	418.543	5.930	30	20	HKED	
COc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1SC[C@@H](C)C#N	303395466	PLOMFNSWUQBZKT-AWEZNQCLSA-N	403.935	5.041	30	20	HKED	
COc1ccc(Br)cc1CC(=O)Nc1ccccc1S[C@H](C)CC#N	304093877	XKWXOTUZCDHOJF-CYBMUJFWSA-N	419.344	5.033	30	20	HKED	
N#CC1(CCCN(Cc2ccccc2OC(F)(F)F)C2CCCC2)CCOCC1	410350383	SUMXYUCHFSZNQG-UHFFFAOYSA-N	410.480	5.430	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1	410367623	RPFFZHXLDXNGKX-UHFFFAOYSA-N	405.519	5.031	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	431184107	RRHDVZIUQUYHNX-SBHAEUEKSA-N	422.598	5.113	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)o1	432981177	ARKLQBCZFRLOHC-UHFFFAOYSA-N	416.525	5.031	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCc2sccc21	433754125	RBWALZUNGKCPMO-AWEZNQCLSA-N	410.486	5.831	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1	435455655	XKWSOXKCFXJWPL-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1	437142393	GFGZATVJNSNHAN-OAHLLOKOSA-N	420.538	5.022	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc2o1	438053641	WEPKUKXKOZTMCT-ICSRJNTNSA-N	402.498	5.429	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	438624905	XAMFVTMQXCBQBR-UHFFFAOYSA-N	406.505	5.938	30	20	HKED	
CCCc1c(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)cnn1-c1cccc(C#N)c1	440093783	HVFCQFMZLOWMGQ-HSZRJFAPSA-N	416.525	5.191	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3csc4ccccc34)cc2)cc1	440495066	OASZNTQVTXCUBO-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4csc(C)n4)cc3)n2)cc1	442519184	SBBQOPKYLLUYNP-LJQANCHMSA-N	415.543	6.041	30	20	HKED	
FC(F)C(F)(F)COCc1cccc(NCc2cnc(C(F)(F)F)s2)c1	443967511	MTMOQCYEUAESAY-UHFFFAOYSA-N	402.335	5.191	30	20	HKED	
Fc1ccc([C@H](NCc2ccc(OCC(F)(F)F)nc2)C(F)(F)F)cc1Cl	444819674	SYMKERMJJOOFMB-AWEZNQCLSA-N	416.724	5.208	30	20	HKED	
C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(Br)cc1	460551737	JVLJYYPZADXMMN-IBGZPJMESA-N	424.346	5.020	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2cccs2)c1	461320402	DGEZPKMGZRAPSB-GOSISDBHSA-N	423.586	5.137	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)s1	463612318	MKDWIWXUWCZTOB-CQSZACIVSA-N	423.494	5.165	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C	463748713	YNRCCJMIPMHTQS-ZDUSSCGKSA-N	417.456	5.701	30	20	HKED	
COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	463766577	CVLUVFMSVZJVCI-UHFFFAOYSA-N	410.433	5.002	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nc2cc(Cl)ccc2s1	464518530	ZUJGSZWMSHAZKF-SNVBAGLBSA-N	414.824	5.108	30	20	HKED	
O=C(Cc1c(F)cccc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474263540	GWGXACHNLVEOKT-OAHLLOKOSA-N	411.292	5.336	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1	474423990	BBROWYRAJBTKOZ-UHFFFAOYSA-N	401.432	5.359	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	476369792	ZDPFHSOWIOGBHP-AWEZNQCLSA-N	422.381	5.316	30	20	HKED	
COCC[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(C)o1	479761664	ZFKYXPKESVRGBI-IBGZPJMESA-N	406.507	5.119	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(C#N)cc2Br)ccc1OCC(C)C	481250953	DREAFFBGQPGRCE-HNNXBMFYSA-N	417.347	5.215	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1ccccc1C	481406559	ZAFNHHDUXMPYSU-UHFFFAOYSA-N	424.476	5.665	30	20	HKED	
CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481681371	CERIBMLBNCHREX-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
C=CCSc1ccccc1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	485463894	IUOUGKMIRJNOCW-HRAATJIYSA-N	418.965	5.180	30	20	HKED	
C[C@H](SCc1ncnn1CC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	485585636	REWAYFJQJDDTCH-QMMMGPOBSA-N	419.341	5.575	30	20	HKED	
N#C[C@@H]1CN(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)C[C@H]1c1ccccc1	488596916	OKILJBSJCKEAAU-IEZKXTBUSA-N	423.516	5.126	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccccc1C	488902875	WNQOTTCOEZPMEY-INIZCTEOSA-N	424.595	5.281	30	20	HKED	
CCN(C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)[C@H](C)c1ccc(C#N)cc1	498326862	XQIMKEDCYPKBCC-MRXNPFEDSA-N	421.932	5.139	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12	498509220	WYCYRLJLRQKGNP-UHFFFAOYSA-N	411.480	5.437	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc(-c2ccccc2)cs1	505427232	FLHGVZMNXAAMDQ-AWEZNQCLSA-N	423.469	5.702	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1cnc(C)s1	508915704	YKLMWEKZDINRFV-MRXNPFEDSA-N	419.554	5.159	30	20	HKED	
CCN(Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1)C1CC1	508987883	PMSBGOHYGXWFLB-UHFFFAOYSA-N	401.535	5.523	30	20	HKED	
COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C#N)cc1	509109410	JCJXDVMVVGGLID-OAQYLSRUSA-N	412.533	5.159	30	20	HKED	
C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510004530	FWMKCLXDWRQOTN-KKSFZXQISA-N	421.903	6.359	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C	510325666	INNORKZJYORVQB-DEOSSOPVSA-N	414.509	5.083	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1OC(F)F	510503449	UDJLOMXVDAKFAB-UHFFFAOYSA-N	423.419	5.582	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	512151229	YDQSLKWGQWRKDP-IBGZPJMESA-N	404.510	5.164	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	512485975	USNXLZBIKORDLW-CQSZACIVSA-N	405.306	5.880	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(Oc3ccncc3)c2)c1	513233588	MOUYUEGKXNGGAD-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CCCc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc1C	513656060	XAWOZGBSWHZKFP-AWEZNQCLSA-N	411.552	5.088	30	20	HKED	
COc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1	515224533	RPJCJPWRTMUKLX-JOCHJYFZSA-N	410.477	5.002	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	515626622	TZIFEKZMNLEPAE-UHFFFAOYSA-N	411.486	5.601	30	20	HKED	
Cc1cc(C)nc(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	516541741	KQJKGKBQMMCZBM-UHFFFAOYSA-N	424.913	5.142	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1	518140450	RQJGEZCHQYRAAL-CQSZACIVSA-N	409.536	5.323	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	518150924	JJSUWVGEPBOIST-UHFFFAOYSA-N	417.456	5.613	30	20	HKED	
C=CCN(C(=O)[C@@H](C)n1cccn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	518171583	AYZYFFBLHATSDB-GOSISDBHSA-N	414.534	5.454	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCOc1ccccc1C(F)(F)F	518681776	JZAKTPNHAPBPQO-CQSZACIVSA-N	423.460	5.158	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1	520940156	GXYWHAAEUCWJLM-OAHLLOKOSA-N	406.511	5.649	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1OC	521286452	VEZLESJSFXYBIS-RUZDIDTESA-N	413.521	5.278	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3cccnc3)cc2Cl)cc1	521678512	OUCAJZKIMHOKIQ-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1Oc1ccncc1	522306978	WUSKEMSSXZROFE-UHFFFAOYSA-N	405.457	5.229	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	523182370	JBZDQUARHRRNSG-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
COc1cc(Br)c(CNc2ccccc2SC[C@H](C)C#N)cc1OC	531390039	MKPXNYNGOAWQHK-CYBMUJFWSA-N	421.360	5.330	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1	533510683	ZTQCZIWJWRPCOS-NTKDMRAZSA-N	414.509	5.066	30	20	HKED	
CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	535324115	DOMVURWWFHFWAV-VLIAUNLRSA-N	405.951	5.061	30	20	HKED	
CCOc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1CO	536519970	HMAMYVVQDLNAKS-UHFFFAOYSA-N	422.868	5.147	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C	538224139	NCFLBRONOJONOA-OPAMFIHVSA-N	413.562	5.393	30	20	HKED	
Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2ccc(C3(C#N)CC3)cc2)c1	538522079	CGYVKUDSGLTWIZ-UHFFFAOYSA-N	423.516	5.144	30	20	HKED	
COc1ccc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(C)nc2c1	538770645	LNRKTAOZKJYYPG-HXUWFJFHSA-N	424.485	5.037	30	20	HKED	
C=CCC[C@@H](NCc1nc(O)c2ccc(Cl)cc2n1)c1ccc(C(F)(F)F)cc1	540429010	BQMLIYMKTOOTBB-QGZVFWFLSA-N	421.850	5.805	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)s1)c1ccccc1	541342003	IHNSFFXSSYAVFR-HOTGVXAUSA-N	418.360	5.402	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1C	543861342	JLMWXSSOWXCDDT-WOJBJXKFSA-N	422.532	6.304	30	20	HKED	
CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C)cs1	543889886	HJRDFQGKJULDIW-IERDGZPVSA-N	404.539	5.502	30	20	HKED	
O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	543922138	RSSQYNSGSIPVFB-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C=CCN1CCC(NC(=O)c2cc(C)ccc2Sc2ccc(Cl)cc2)CC1	545379611	XGLRSWKLXXGKSQ-UHFFFAOYSA-N	400.975	5.180	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2ccccc2)C1	549326337	CBSNIWLKSQCUNX-HXUWFJFHSA-N	420.582	5.149	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)c1	552411509	DTNIOOJVMAGTGE-UHFFFAOYSA-N	419.584	5.125	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1	556913708	OCZVGZQVLFQPTF-UHFFFAOYSA-N	421.544	5.059	30	20	HKED	
C=C(C)COCCNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	556917963	TVIQLDXEGZNZTG-UHFFFAOYSA-N	413.370	5.103	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2ccccc2)n1	565998609	BWFJTHJFSBRARF-UHFFFAOYSA-N	404.539	5.112	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	568896838	RIOIYEAGLMIOEG-UHFFFAOYSA-N	401.491	5.197	30	20	HKED	
N#Cc1cn(CCCCOc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2c1=O	576273447	WOUBPYYIEFROML-UHFFFAOYSA-N	420.818	5.405	30	20	HKED	
Cc1ccc(-c2nc(Cc3noc(C[C@H](CC#N)c4ccccc4)n3)cs2)cc1	578614036	FUSPZYPAOLPRSP-IBGZPJMESA-N	400.507	5.332	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1nc(CC(F)(F)F)cs1	582263300	NJSAMXHDAWCRRI-UHFFFAOYSA-N	403.385	5.164	30	20	HKED	
N#Cc1cc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)ccc1F	585741614	RSDXLWUYSJAHID-UHFFFAOYSA-N	419.500	5.199	30	20	HKED	
C=C(C)COc1cccc(N[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)c1	589633620	SEDIDUYQWGLFSR-VWLOTQADSA-N	416.521	5.832	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2cccs2)cc1	603802050	ZKJDPQQLBSWZKH-HSZRJFAPSA-N	403.551	5.674	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cn1	609370727	RVKATVBYKHVRHY-GFCCVEGCSA-N	411.474	5.225	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Oc2ccccc2)nc1	609434855	VIIIYZJOAGQLKG-KRWDZBQOSA-N	418.522	5.590	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	609463535	CVLISNPFFPBNBS-GOSISDBHSA-N	402.306	5.420	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3ccncc3)c2)cc1	609641052	KDZFJACFZCLQFY-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609985667	IQZHSZVPNCKNNG-UHFFFAOYSA-N	407.420	5.175	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(F)c(F)c(F)c2)cc1	610163172	CEKZFXPVVYUIKP-UHFFFAOYSA-N	413.374	5.349	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F	610240153	IDLOSMHXMZDZDK-QLJPJBMISA-N	401.215	5.497	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	611556749	XYVVBILBCOVPFU-GOEBONIOSA-N	403.404	5.545	30	20	HKED	
CC1=NN(c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)CC1	613320086	UVPPABTYDFJXNB-LJQANCHMSA-N	420.925	5.540	30	20	HKED	
CCc1c(NC(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1	616697507	KLLCZMANUVJMOV-UHFFFAOYSA-N	418.806	5.231	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CC1	618850225	WGSGWSRWVSSCSJ-SZNDQCEHSA-N	413.443	5.500	30	20	HKED	
COc1cc(CNCc2ccc(C#N)c(Cl)c2)cc(OC)c1OCc1ccccc1	619748494	MMFOZDYPXDEMEN-UHFFFAOYSA-N	422.912	5.098	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OCC)CC1	670199419	CMSMLXCVIPBYBY-LJQANCHMSA-N	420.557	5.153	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C#Cc3cccs3)c2)o1	681026705	XSZNYHLHFTVDPY-OAQYLSRUSA-N	406.507	5.256	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)OCc2csc(-c3ccsc3)n2)c1	726688876	FNSLWYWNRVPBOF-UHFFFAOYSA-N	422.487	5.272	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCc3noc(-c4ccsc4)n3)cc2)cc1	732377131	AINPWGHBPNDZLR-UHFFFAOYSA-N	417.446	5.013	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1	741059760	WLHPKFPHUBWKOY-KNKQGSTJSA-N	419.887	5.812	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cccc(Oc3ccccn3)c2)cc1OC	742961384	BAXZDYGXBOMNTO-QBFSEMIESA-N	402.450	5.099	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1nc(-c2c(F)cccc2F)cs1	744073300	CRNSSTPUFZMDQA-YNEHKIRRSA-N	416.399	5.346	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1	751004917	PVJYEOKJBXTYGD-NUJGCVRESA-N	415.584	5.120	30	20	HKED	
CCCCCCCCNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	754884747	MEGWPVZPSGTJQL-UHFFFAOYSA-N	412.496	5.034	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C\C(=O)c1cccc(N2CCOC2=O)c1	758431590	YAMOKZYZFYUXFR-SEYXRHQNSA-N	415.493	5.023	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	760790654	ZECSWBGQSNVPBI-UHFFFAOYSA-N	421.815	5.298	30	20	HKED	
O=C(Nc1cccc(/C=C\C(=O)c2c[nH]c3ncccc23)c1)c1ccccc1Cl	761813268	PSWQVNNSMOAJSS-KHPPLWFESA-N	401.853	5.365	30	20	HKED	
C=CCn1c(COc2ccccc2)nn(CN2CCC[C@@H]2c2cccs2)c1=S	764861522	XZPWLGIUROFHMN-GOSISDBHSA-N	412.584	5.035	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1F	765616562	LCNMKRWFUZQDAP-POHAHGRESA-N	414.433	5.011	30	20	HKED	
C=CC[C@H](N[C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)c1ccncc1	766022819	XLLFJCGXXGCJOR-JXFKEZNVSA-N	423.582	5.423	30	20	HKED	
CCOc1c(Cl)cc(NCc2ccc(OC)c(OCCCC#N)c2)cc1Cl	767189659	FOSZHYZHVGNHMF-UHFFFAOYSA-N	409.313	5.695	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)cc1	769946301	QKDOOMCGNJXIHR-PBXDPIQXSA-N	420.818	5.196	30	20	HKED	
CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	775486587	CWHIVPHJSJCLEM-XZOQPEGZSA-N	415.493	5.103	30	20	HKED	
CC(C)(O)c1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	775650246	NNNFSZFHSYGSPG-UHFFFAOYSA-N	419.456	5.039	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	776838476	ZYQQGZHUWSOWGE-INIZCTEOSA-N	405.350	5.220	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl	780166211	VAEJFCPIKQRECL-HNNXBMFYSA-N	422.916	5.502	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(-c2cccc(C#N)c2)cc1	782589986	YGTXFKWTGFATOV-MRXNPFEDSA-N	414.440	5.149	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	783358630	OTRXFHTVIRBSQY-HXUWFJFHSA-N	404.491	5.048	30	20	HKED	
Cc1cc2c(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)ncnc2s1	783417905	IDSAKAZZJYUGOL-HNNXBMFYSA-N	422.560	5.092	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nccc2ccccc12	792092449	QYDQKVJFKFUWBQ-JXFKEZNVSA-N	407.311	5.442	30	20	HKED	
N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nccc2ccccc12	792093082	USMRIRDOXMTJKZ-OAHLLOKOSA-N	409.923	5.492	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1cnc2ccccc2n1	792107239	DGEYPRFULJCXNR-ZRBLBEILSA-N	419.484	5.189	30	20	HKED	
CC(C)Oc1ccc(-c2ccc(NC(=O)Cc3cccc(OCC#N)c3)c(F)c2)cc1	795143901	PQPZOFOTTZQJLY-UHFFFAOYSA-N	418.468	5.363	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1	796719341	MNYSZVSDEVZPCB-QGZVFWFLSA-N	404.470	5.017	30	20	HKED	
COCCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	799905572	XAPKCDXURUKSFJ-MWCGGFADSA-N	418.006	5.072	30	20	HKED	
Cc1nc2sccc2c(=O)n1N=Cc1ccc(-c2ccccc2Br)cc1	800809213	FZCOIFYLYUFTJR-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
N#Cc1ccc(SCC(=O)c2ccc(C(F)(F)F)nc2Cl)cc1C(F)(F)F	809960879	DSGULWGTOGHJBY-UHFFFAOYSA-N	424.753	5.619	30	20	HKED	
N#Cc1ccc(CNc2ccc(OCc3noc(C4CC4)n3)cc2)c(C(F)(F)F)c1	810149763	FDOYDPMGVJDJRZ-UHFFFAOYSA-N	414.387	5.029	30	20	HKED	
N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)nc1	814484961	RAZVMLJQUZDILC-OAQYLSRUSA-N	412.453	5.054	30	20	HKED	
O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1	816063199	FZKHKDYPUQNGAV-UONOGXRCSA-N	421.268	5.704	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915350558	YIHKWMGIFAJLTI-JOCHJYFZSA-N	419.912	5.668	30	20	HKED	
CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915352388	HGSZIVHRDLGDCY-OAQYLSRUSA-N	424.331	6.313	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2CN2CCCC2)cc1	915353180	RGARWWCBACJAGT-SANMLTNESA-N	424.548	5.260	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2cccc(C)c2)c1	916256039	INLOLEDOKTWQEU-UHFFFAOYSA-N	412.493	5.311	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1	916913885	UEYWSNMRQCFQRT-ZDUSSCGKSA-N	417.317	5.732	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C)cc1	916955936	VUNPFKLIARZHRQ-FOIQADDNSA-N	417.534	5.593	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC1(Cl)Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996750	PLWTWHIRVYMEMK-ZJUUUORDSA-N	406.121	5.487	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(F)cc3)n2)cc1	920139299	QSFHFZHVDYSEIM-GOSISDBHSA-N	412.511	5.067	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1	1786363972	FPXCHJUDUUDQIY-UHFFFAOYSA-N	412.574	5.074	30	20	HKED	
CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1	1786393358	BQBRUURVLVNEIB-OAQYLSRUSA-N	422.550	5.135	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1	1792173252	CVEYGAZXOVFGGN-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2F)CC1	1829878525	LWPVDQGSUIIVJU-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccccc1OC	10118208	KFJSUYGDJJVEMH-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)s1	11367309	ACJDTGHZGGUEQL-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc21	28904649	SDEGOUFXYVFQAM-UHFFFAOYSA-N	406.338	5.650	30	20	HKED	
N#C[C@@H](C(=O)c1noc2c1CCCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	51285728	RHIRNJIDUWUZTK-ZDUSSCGKSA-N	418.305	5.474	30	20	HKED	
C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)c1ccc(C#N)cc1	52548379	QTZJAJZRDHWBSF-LJQANCHMSA-N	415.541	5.064	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1	65869944	XTOXOUOLZDSNPB-UHFFFAOYSA-N	406.501	5.090	30	20	HKED	
COc1cccc([C@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	195609566	FUULCKNFRKXPEU-SFHVURJKSA-N	400.478	5.082	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)nc2ccccc21	195727821	IWYLKGAJVHRAKI-XXBNENTESA-N	415.880	5.223	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	195748802	MMHQBORITRZQDS-UHFFFAOYSA-N	407.351	5.638	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1-c1nccs1	261371932	WZWOWCCGYYIUJL-AWEZNQCLSA-N	412.927	5.304	30	20	HKED	
CCc1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12	303223973	VQWWOCQSUYVRTN-OAHLLOKOSA-N	408.870	5.052	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCCc1cccs1	303356278	GTFCERIZBUTDLN-UHFFFAOYSA-N	405.523	5.857	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSCc2cccc(OC(F)F)c2)c1C	426567921	YBFNXOGBIXPTTM-UHFFFAOYSA-N	404.482	5.085	30	20	HKED	
C[C@H](N[C@@H](C)c1ncc(Br)cc1F)c1ccc(-c2cccc(C#N)c2)cc1	427863130	XYIMYMHJBNOXNQ-GJZGRUSLSA-N	424.317	5.934	30	20	HKED	
CCCCOc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(C)c1	428921024	MLNUTPOXEJBKRN-UHFFFAOYSA-N	402.498	5.203	30	20	HKED	
Cc1c(C(=O)Nc2cccnc2-c2ccc(Cl)s2)sc2ccc(C#N)cc12	429875845	GXRYMUDKOJXNTI-UHFFFAOYSA-N	409.923	6.111	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2csc(-c3ccc(F)c(F)c3)n2)s1	430642340	OHGUODWUHBBCOY-LLVKDONJSA-N	403.479	5.332	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccnc(Sc2ccccn2)c1)c1ccccc1	432788974	OFHLPWBLUSMDDQ-IBGZPJMESA-N	403.511	5.184	30	20	HKED	
CC(C)(C)OC(=O)Cc1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433009925	WIXLTEMIONHSOS-HXUWFJFHSA-N	407.514	5.127	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccccc1	433271611	UTKXFRNRVCSVCZ-JOCHJYFZSA-N	424.504	5.975	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)cc1	434165746	WXLTYYBPOIMNPT-UHFFFAOYSA-N	422.500	5.301	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc21	435943722	BRIQWUBVXOZBGR-OAQYLSRUSA-N	414.534	5.532	30	20	HKED	
N#Cc1ccc(C2(C(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)CC2)cc1	435951826	XXCYHVYCIVZHEW-RAYWSRASSA-N	404.513	5.003	30	20	HKED	
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	437485730	SADJCJOSMOQYCN-HTAPYJJXSA-N	415.493	5.514	30	20	HKED	
COc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(OC)c1	438652291	BYGPEKISBXWUPK-UHFFFAOYSA-N	407.401	5.151	30	20	HKED	
Cc1cccc(F)c1NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444920177	KRMZMLLBFZNHPQ-CQSZACIVSA-N	408.317	5.968	30	20	HKED	
CC[C@@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1	447603462	XSBYMORRQSXQNN-QZTJIDSGSA-N	411.265	6.055	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H](c2ccc(F)cc2)C[C@H]1C	460808954	KQOXRVSKDXUVNT-DENIHFKCSA-N	420.532	5.093	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H](C)c1ccc(C(F)(F)F)cc1	460957259	HTESNYFSVBSQAO-HDMKZQKVSA-N	408.468	5.168	30	20	HKED	
COc1cc(OC)cc(-c2cccc(NCc3cccc(OCCCC#N)c3)n2)c1	461184955	IFNDKGHARIUXIH-UHFFFAOYSA-N	403.482	5.060	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(OCC(F)(F)F)cc1	462652347	FGQKUOSDJXKZFI-CQSZACIVSA-N	424.444	5.039	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	463289624	SCLQKBYAGOTFCC-LJQANCHMSA-N	416.496	5.678	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(OCC3CC3)CC2)c1	464981630	JOVJPRSCPNJHGP-UHFFFAOYSA-N	410.901	5.035	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	466063881	AFQLLVGBNSPGLW-GOSISDBHSA-N	413.521	6.046	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1	466689720	GXLDUUQMCZMKFW-HNNXBMFYSA-N	413.465	5.019	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c(C)c2)c1	470903801	MHPIEPLICAKUQA-HSZRJFAPSA-N	409.489	5.075	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	476049445	ZRGMZQPLYQAJHD-GOSISDBHSA-N	401.422	5.413	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(C(C)(C)C)o2)nc2cc(Cl)ccc2c1=O	476493231	JYQGDELYJCMGHK-GFCCVEGCSA-N	403.935	5.375	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@]4(C3)OCc3ccccc34)cc2)cc1	478320667	QDZNBIJJHLDPQX-HHHXNRCGSA-N	424.500	5.207	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	478399785	OJQGQMPFLGTSFG-UHFFFAOYSA-N	400.853	5.004	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(CNc4ccccc4)cc3)o2)cc1	480039477	OJSPXEKJSIKTNN-UHFFFAOYSA-N	423.472	5.595	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCCCOc2cccc(C#N)c2)c1C	485869199	FGVOPIRHINLMIE-UHFFFAOYSA-N	422.916	5.202	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1cccnc1Oc1cccc(OC)c1	486229936	MCMBRBUUSYYLKO-UHFFFAOYSA-N	406.507	5.091	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1	486463629	DILSKGNIUOHNHK-KRWDZBQOSA-N	423.513	5.174	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H]2CSc3ccc(Br)cc32)c1	486803018	PYGPZEQEZKUAFZ-GOSISDBHSA-N	403.345	5.068	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H](CCCC#N)c3ccccc3)c12	487174141	CMYVJACEQAVSLU-LJQANCHMSA-N	402.498	5.389	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1cccs1	489460864	HWIOCKDMONHVDB-QGZVFWFLSA-N	416.547	5.087	30	20	HKED	
Cc1c(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)sc2ccc(C#N)cc12	499494044	AUPJJAPHFHCIRY-AZUAARDMSA-N	408.498	5.213	30	20	HKED	
N#CC1(CCCN[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)CCOCC1	499612963	SZZVSYQUQXCZAO-GOSISDBHSA-N	400.872	5.500	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(C)n1	501325648	BRJIUMCPKCUPJE-AWEZNQCLSA-N	418.305	5.319	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1	502293784	LUDBUOWINQIJCG-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(COC3CCCCC3)c2)cc1	502635463	HNWDYKZPGFGBQT-UHFFFAOYSA-N	422.529	5.487	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510214472	YDMDRTWEXVPRGR-KRWDZBQOSA-N	415.562	5.864	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1	510861431	YUCPPQPYUQQJTB-ROUUACIJSA-N	402.416	5.363	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)o2)cc1	511066151	QSTXQVSLUHCNIL-SFHVURJKSA-N	412.415	5.007	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(F)c2Sc2ccccc2)cc1	511964995	OBXYVTPXFQEHPE-UHFFFAOYSA-N	421.497	5.537	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@H](C)c2ccc(C#N)cc2F)CCC3)cc1	512628081	CUJQALMBDCALHC-VLIAUNLRSA-N	407.514	5.558	30	20	HKED	
CCOc1ccc(Oc2c(CN3CCC(C#N)CC3)c(C)nn2-c2ccccc2)cc1	512690801	PCWLMDUXOOWUHM-UHFFFAOYSA-N	416.525	5.107	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1nc2ccccc2s1	513672692	UACIYZPTGGCVOH-SFHVURJKSA-N	402.450	5.504	30	20	HKED	
Cc1cc(C)cc(OCc2noc(CNc3ccccc3SC[C@@H](C)C#N)n2)c1	513785296	JVYLMRAVHJHERW-KRWDZBQOSA-N	408.527	5.129	30	20	HKED	
COc1ccc(OC)c(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	515709319	QJIFTOCTWYNKHA-UHFFFAOYSA-N	422.868	5.202	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	516136187	YDJSZZYNUAXEGF-HRAATJIYSA-N	402.519	5.497	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2cccc(Cl)c2)cc1	516140621	KNUKWCZWNRSGGE-UHFFFAOYSA-N	420.896	5.393	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Sc2ccccn2)cc1	518137686	NIXXQTFSWPAMSF-MRXNPFEDSA-N	405.548	5.737	30	20	HKED	
Cc1cc(OCCCC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1Cl	518738908	DRGAOLGTRWNRQX-MRXNPFEDSA-N	402.947	5.840	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(O)cc2)cc1Cl	519992636	BGEOEAPZELVWQD-NRFANRHFSA-N	405.885	5.065	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)cc2)c1	520941266	HWKYGAIHXUPXBM-UHFFFAOYSA-N	413.452	5.811	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)Nc1ccccc1C(F)(F)F	524555397	QYVMTGXYQYWGQS-UHFFFAOYSA-N	411.277	5.024	30	20	HKED	
COC(=O)[C@@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1cccc(C#N)c1	530723331	WDCDHOHAUQXEGA-MWTRTKDXSA-N	404.441	5.055	30	20	HKED	
COC(=O)[C@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1cccc(C#N)c1	530723333	WDCDHOHAUQXEGA-WAIKUNEKSA-N	404.441	5.055	30	20	HKED	
Cc1ccccc1[C@H](CO)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	530837875	DUTWUCCJCDHXLO-GGAORHGYSA-N	419.912	5.159	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(CC(C)C)c3C(F)F)n2)cc1	536205632	WXWYPEGZPVWKSS-OAHLLOKOSA-N	414.481	5.399	30	20	HKED	
Cc1cc([C@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)ccc1F	538324565	XLCVJZSGVPDYLT-QMHKHESXSA-N	411.546	5.208	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccn(-c2cccc(C#N)c2)n1)C1CC1	541871228	SFTJZNIQWBESKE-HNNXBMFYSA-N	424.426	5.129	30	20	HKED	
Cc1c[nH]cc1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543099206	YPWXVLXDXBMGCI-LBPRGKRZSA-N	418.259	5.394	30	20	HKED	
N#C[C@@H](C(=O)c1coc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1	549151848	GNBKCDLGSPDEGT-LBPRGKRZSA-N	407.676	5.309	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c2ccccc2n1	551026718	LNWCONMOWKUHPX-RUZDIDTESA-N	407.473	5.117	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1	554239262	LWIQDPBFPIFZPN-UHFFFAOYSA-N	421.497	5.186	30	20	HKED	
N#CCC[C@@H](C#N)COc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	555581428	ZXPKYDGIAHMUMA-ZDUSSCGKSA-N	421.806	5.433	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)sc2ccc(C#N)cc12	555936800	NEQFMPKDDSJXSS-INIZCTEOSA-N	415.518	5.629	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CC1	556842312	ASUFCUHHWBGOFF-UHFFFAOYSA-N	407.926	5.161	30	20	HKED	
Cc1ccc(-c2noc([C@@H](C)NCc3ccc(-c4ccccc4C#N)cc3)n2)cc1F	557311476	ZHTFLVYWDIYDGE-QGZVFWFLSA-N	412.468	5.574	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1	558133434	RDPYNTJRJWSPSA-XZOQPEGZSA-N	414.509	5.187	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)n1	564192470	GFVBKNCZLFPKLJ-FYYLOGMGSA-N	415.537	5.571	30	20	HKED	
CCSc1cccc(F)c1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	564447854	XUHKYEADHSMMDE-UHFFFAOYSA-N	404.351	5.286	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)N[C@H]2CCc3ccc(C#N)cc32)cc1OC	568524799	LFRVVAKKFKKXME-LOSJGSFVSA-N	412.533	5.445	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](Cc4ccccc4)C3)cc2)ccn1	569630902	ZCMAUUBNZARWPS-HXUWFJFHSA-N	412.493	5.232	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)c3ccccc3C#N)cs2)o1	575856435	ZZDUPKFYBWZZGT-UHFFFAOYSA-N	413.502	5.359	30	20	HKED	
N#CCCCCCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1	588840162	LWNDZLFKHSZPEO-FQEVSTJZSA-N	414.431	5.261	30	20	HKED	
N#C[C@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(-c2ccccc2)cs1	589244918	UZCZVHWTGPQENS-QGZVFWFLSA-N	419.506	5.487	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cccc(C#N)n1	589780531	IUFFRKHZEJTRIP-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1	590107096	LMCBLWQGLIDIJL-QFIPXVFZSA-N	411.465	5.302	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1sc2c(c1C#N)CCCCCC2	603996600	WDUZYSBPASXDQI-UHFFFAOYSA-N	407.543	5.165	30	20	HKED	
C=CCCCN(C)C(=O)c1cccnc1SCc1ccc(Br)cc1	605645325	ZNNNUQQBOMBWHV-UHFFFAOYSA-N	405.361	5.175	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccccc2SCc2csc(C)n2)c1C#N	609032675	YXZZTQNICZWHRG-UHFFFAOYSA-N	413.593	5.800	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1F	609061554	PIYNULBSDWBECL-UHFFFAOYSA-N	418.468	5.165	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCO[C@H](c4ccccc4)C3)c2)cc1	609253991	FNOCHFBSAJJFFD-DEOSSOPVSA-N	413.477	5.346	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cs1	609460607	WVOVVOZACSOYQX-HNNXBMFYSA-N	418.305	5.120	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)CCCCOc3cccc(C#N)c3)oc12	609497732	DLMUJSWLWSIOJY-QGZVFWFLSA-N	406.482	5.130	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	609976382	LANFZEULAOOGFI-AZUAARDMSA-N	400.478	5.057	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)n1	609991500	KHTBIMQVMFOTJK-UHFFFAOYSA-N	405.461	5.320	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1SCC(F)F	610019842	WFHOPSHLZXTTRI-UHFFFAOYSA-N	407.461	5.497	30	20	HKED	
C[C@H](NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl)c1cccc(C#N)c1	610359158	GJUQNNCBTIMABS-HNNXBMFYSA-N	406.917	5.321	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc4c(cnn4C(F)F)c3)cn2)c1	610962571	ZCIDEWCDVHBZPL-UHFFFAOYSA-N	420.379	5.134	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	613291191	WCXVGJJMEGMSDC-HSZRJFAPSA-N	404.469	5.573	30	20	HKED	
CSc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	619312572	ZZOJKNDFBXVYSF-UHFFFAOYSA-N	404.495	5.131	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(C#N)c(Cl)c1	619826114	HZNIPQKUFCRWLI-UHFFFAOYSA-N	409.839	5.351	30	20	HKED	
O=C(NCc1ccc(C(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	680923639	CJEREERRRVYBDV-RYUDHWBXSA-N	418.328	5.333	30	20	HKED	
Cc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1F	729140627	KKILJQNLCVHIGN-UHFFFAOYSA-N	411.889	5.417	30	20	HKED	
COC(=O)Nc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1F	730182018	AOLCQHRLZWORKV-UHFFFAOYSA-N	423.375	5.059	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)Nc1ccc(SC(F)F)cc1	730954931	OTNHBWGKRNFCOJ-GFCCVEGCSA-N	409.552	6.062	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)cn2)c1	733031402	RVSXTTCELGFDLB-OAQYLSRUSA-N	420.419	5.393	30	20	HKED	
CCOc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC	734059776	GSOFEBJBSKKDHW-QFIPXVFZSA-N	415.493	5.071	30	20	HKED	
O=C(/C=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c(Cl)nc2ccccn12	737448456	HMFDHXJGZTXFJF-TWGQIWQCSA-N	416.790	5.088	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3cnn(Cc4ccccc4Cl)c3)c2)s1	740014617	SVKDTSJLMNLFFE-UHFFFAOYSA-N	418.953	5.475	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	740647101	BTHYUOPCBNYXQP-UZUQRXQVSA-N	402.519	5.470	30	20	HKED	
Cc1c(C(=O)/C=C\c2cc(Cl)ccc2OC(F)F)cnn1-c1ccc(C#N)cc1	741842917	DCZNPYLKPDVTPU-YWEYNIOJSA-N	413.811	5.203	30	20	HKED	
C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	749046508	XCIKALCPTGXZDD-BWAGFHJFSA-N	421.541	5.050	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OC	749454048	VIRNRPCCCYENAJ-KYTCBBFDSA-N	410.514	5.299	30	20	HKED	
CN(C(=O)CSc1nc2cc(C(F)(F)F)ccc2s1)C1(C#N)CCCCC1	753855446	VAFNYEOODBJCMC-UHFFFAOYSA-N	413.490	5.092	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc2cc(Cl)ccc2s1	763274883	YKWSQGHMCSJWDV-CYBMUJFWSA-N	410.804	5.267	30	20	HKED	
CN1C(=O)CCc2cc(/C=C3/CCc4nc(-c5ccccc5F)sc4C3=O)ccc21	774138608	KXAVXJXNCCAUIK-SSZFMOIBSA-N	418.493	5.071	30	20	HKED	
C[C@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(OCC#N)cc1	776156383	LIOSESHGLAFIIK-NRFANRHFSA-N	422.532	5.352	30	20	HKED	
COc1ccc(-c2nn(Cc3ccccc3)cc2CNc2cccc(OCC#N)c2)cc1	779588991	UVYNWLQZAIXFDC-UHFFFAOYSA-N	424.504	5.121	30	20	HKED	
CC[C@H](C#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1	780329355	OKEPCKYYZMZZRH-OAHLLOKOSA-N	423.592	5.564	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)ncc1Cl	780588532	XUBGCDAQXPIEII-UHFFFAOYSA-N	412.276	5.400	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1	780674561	FRPXOFPGBMGCNK-HNNXBMFYSA-N	417.431	5.240	30	20	HKED	
CCCCCCCCOCc1cccc(NC(=O)N2CCc3ncsc3C2)c1	782732983	PGZMHPMYLOBZFE-UHFFFAOYSA-N	401.576	5.610	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)CC2CCC(C(F)(F)F)CC2)c2ccccc21	783282892	QGRBJRQNBKUPMX-UHFFFAOYSA-N	420.431	5.040	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1	787054376	UTNQRSYSTSSVMW-SJKOYZFVSA-N	421.349	5.224	30	20	HKED	
COC(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccsc1	788400949	MTWVIBDADCJURN-HXUWFJFHSA-N	412.898	5.178	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1	789458178	ZCMZGZBYLIYJLE-GOSISDBHSA-N	415.578	5.307	30	20	HKED	
N#CCCN(C(=O)c1cc(C(F)(F)F)cnc1Cl)C12CC3CC(CC(C3)C1)C2	790985736	UBWFVRWVYRPIGC-UHFFFAOYSA-N	411.855	5.078	30	20	HKED	
CC[C@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	801678811	MIYCFDKFNNFADW-CMPLNLGQSA-N	414.346	5.459	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1	804459736	CMZLLWCOFYZADE-CIAFOILYSA-N	411.498	5.118	30	20	HKED	
COc1ccc2c(c1F)C/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O	809155801	GCSGARFCAGXFGI-XNTDXEJSSA-N	422.481	5.106	30	20	HKED	
N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)c1cc(C(F)(F)F)ccn1	813213882	NCUGMWZWFOZGMJ-NSHDSACASA-N	405.228	5.376	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1	815342164	MEUPMSZXFBNAQY-HQNXYIODSA-N	419.521	5.023	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)/C=C\c1ccc(Br)o1	914515582	XGICDVNBRGATLN-QBFSEMIESA-N	407.267	5.160	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1	915199667	ISHRQULODCZBAL-QHCPKHFHSA-N	422.509	5.887	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1Cl	916057215	LTRYVSKEQKBKMN-NFBKMPQASA-N	415.880	5.127	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046820	RBTHIAAQRPVLAS-ABAIWWIYSA-N	402.928	5.315	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3C)CCC2)cc1	1789456558	WNPGMXXZEFRGHO-QFIPXVFZSA-N	417.553	5.215	30	20	HKED	
N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CC4CCC4)cc3)CCC2)c1Cl	1792271758	ZNZLZJSJZSTLKA-UHFFFAOYSA-N	421.928	5.150	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826367997	LXRQLXFXQPHUJR-RPBOFIJWSA-N	422.613	5.007	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830251046	XTHGWLLVTSHWCJ-HSZRJFAPSA-N	400.607	5.121	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)CCCCC)CC1	1831448249	NBFNCQJEYSHBHO-AZUAARDMSA-N	412.565	5.034	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831694842	NRZFNQUPCDXYHC-BAMDZGJYSA-N	402.623	5.035	30	20	HKED	
N#CCCSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1	4399939	YIAMESXLVQBCQH-UHFFFAOYSA-N	408.836	5.612	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccn3)n2)nnc1-c1cccc(C)c1	11177287	XAKALDURYDTVQH-UHFFFAOYSA-N	405.552	5.250	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2F)cc1	22696141	RQCXYOWLFXTFRU-UHFFFAOYSA-O	415.460	5.005	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1	23603350	QJURLSSGDNLTKE-UHFFFAOYSA-O	424.565	5.407	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OCC	41556123	ZMTVVAKYKXEKES-INIZCTEOSA-N	406.404	5.168	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cc1coc(-c2ccc(Br)cc2)n1	58396932	VCNBLIDGYPQAQX-UHFFFAOYSA-N	410.315	5.386	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc(-c2ccccc2)cs1	59740338	PCSMNSRBHZIUKT-UHFFFAOYSA-N	420.925	5.482	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2cc(F)ccc2F)cc1	60351447	GUABRIZPJMFGRW-UHFFFAOYSA-N	408.404	5.209	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CSc1cccc2cccc(Cl)c12	78668423	NYYCQHIDHVBHFF-UHFFFAOYSA-N	412.967	6.230	30	20	HKED	
COc1cccc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)oc12	97428224	BJYHQVPNCQLXSG-UHFFFAOYSA-N	412.445	5.339	30	20	HKED	
Cc1sc(NC(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)c(C#N)c1C	216480631	JASDQTSOCRUTIA-QGZVFWFLSA-N	419.550	5.144	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1c(Cl)cccc1Cl	303280868	JZWFZEPLMSOJMX-GFCCVEGCSA-N	411.379	5.976	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCOc1cccc(Br)c1	303301815	CUULRJUYLVDENR-CQSZACIVSA-N	419.344	5.108	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(Cc3cccc(F)c3)C3CC3)c2)cc1	303585722	GCUJVPKXGVORAT-UHFFFAOYSA-N	400.453	5.081	30	20	HKED	
CC(=O)N1CCCc2cc(NCc3cccc(OCc4ccccc4C#N)c3)ccc21	432638445	KXKOHGUOOCYTBZ-UHFFFAOYSA-N	411.505	5.048	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cc(F)ccc1Br	433753798	NNHLUHSXJFSSGE-LBPRGKRZSA-N	407.308	5.021	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)NCC3CCC(C#N)CC3)cc2c1	441016607	VBIQWVLGNJEARW-UHFFFAOYSA-N	405.498	5.376	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCCCCC(C)(C)C#N	444685117	NHQUSDVJBYMMPK-CQSZACIVSA-N	420.420	6.252	30	20	HKED	
COc1cc([C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1	461931233	MNLKFHSOOJVZQG-RTBURBONSA-N	414.505	5.127	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1	463567774	GUQKTTFZQIJLMU-UHFFFAOYSA-N	415.371	5.272	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(OC(C)C)c1	464465144	FQYCXEOWGAYKIH-QGZVFWFLSA-N	406.404	5.166	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(F)(F)F	464577140	HZCXIQKHEFJPSC-MRVPVSSYSA-N	413.264	5.566	30	20	HKED	
Cc1nc(C)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	466109314	LTTHYATYGHCNJB-UHFFFAOYSA-N	412.902	5.399	30	20	HKED	
CCC(CC)c1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)on1	466121280	VJXSZXZPRRLXFY-UHFFFAOYSA-N	418.497	5.872	30	20	HKED	
N#Cc1ccc(F)cc1CSc1nnc(SCc2cc(F)ccc2C#N)s1	469079937	XBNIVWUSKKUCQJ-UHFFFAOYSA-N	416.503	5.144	30	20	HKED	
C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(Cl)c(Cl)c1	471338361	XWWOWCQNWVNOTL-GFCCVEGCSA-N	415.242	5.560	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1	472346579	FEIKLWZDPCAIRY-AWEZNQCLSA-N	406.713	5.372	30	20	HKED	
CC(C)c1nc(C(=O)[C@@H](C#N)c2nccc3ccccc23)nn1-c1ccccc1Cl	483208685	ZHFAWUFFGONXED-KRWDZBQOSA-N	415.884	5.082	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2)cc1	483611919	HMUNKMXKEDYKDE-UHFFFAOYSA-N	421.460	5.265	30	20	HKED	
COc1ccc(CNc2cnn(-c3ccccc3)c2C(C)C)cc1OCCCC#N	486689973	RCUHNLVLWYGHOR-UHFFFAOYSA-N	404.514	5.299	30	20	HKED	
C=C(C)CN1CCC(N[C@@H](c2ccc(OC)c(OC)c2)c2ccccc2Cl)CC1	491042721	XIEQGAGOVLTZLV-DEOSSOPVSA-N	414.977	5.077	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(-c2cccnc2)cc1	491131270	HTWKUBVRCYIIHP-IBGZPJMESA-N	403.485	5.778	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1	494050738	RNQLAGBHFNZLJV-YFVAEKQCSA-N	409.555	5.198	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3F)c2)cc1	497800940	WHMPOIFWJICGJX-PKTZIBPZSA-N	418.443	5.352	30	20	HKED	
C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1ccccc1F	497999429	XEYSDHYNPDVNMF-UHFFFAOYSA-N	419.485	5.145	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1OC	498737279	IDLRJYVVVVWIQK-JOCHJYFZSA-N	412.578	5.348	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@@H](C#N)c3ccccc3Cl)c12	499934944	ZTXGEYVQEUTXIE-KRWDZBQOSA-N	420.856	5.254	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](CC1CCCC1)c1ccccc1	505267038	CYPPKYUTRKXRSK-QHCPKHFHSA-N	403.526	5.105	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc(C)nc21	505949471	TZFZCNXZMGNFGX-KPZWWZAWSA-N	416.312	5.012	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CCCCC1	506516062	NLYRXTGNWAGRGZ-SFHVURJKSA-N	403.404	5.095	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccnc2)cc1Cl	510009820	LYZKIIKTUBCHHO-GMAHTHKFSA-N	416.912	5.759	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCSc2ccccc21	510345131	DYMMARHJLAAOJZ-JOCHJYFZSA-N	415.518	6.018	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	510842876	MAGPLSRRJSZNPI-OPYAIIAOSA-N	409.555	5.370	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(F)cc1	511700364	XQVNZKBVYVWMBG-QFIPXVFZSA-N	400.409	5.146	30	20	HKED	
C=CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514301796	ULSBDNONKDUNPY-INIZCTEOSA-N	423.494	5.013	30	20	HKED	
Cc1ccc(OCc2nc(CC(=O)N(CC(C)C)c3ccc(C#N)cc3)cs2)cc1	514535458	IYQOOFSUULQFRO-UHFFFAOYSA-N	419.550	5.134	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(C)cc(O)nc2c1	515248083	MGZSBWPHAJKYIP-UHFFFAOYSA-N	409.445	5.474	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1	517740349	CYLYWMYKPXDVPU-UHFFFAOYSA-N	417.987	5.731	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCOc1cccc2ccccc12	518140383	NONFKBMDVPMTJZ-SFHVURJKSA-N	404.535	5.889	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OC(C)C	519065758	YSMQDCMMAFENGT-GOSISDBHSA-N	409.530	5.035	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@@H](c3cccs3)N3CCCC3)c2)c1	520190124	IQNUEDQDFVKWDG-DEOSSOPVSA-N	417.578	5.125	30	20	HKED	
COc1ccc(-c2nc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1	520889935	XOIBKDUWMXMKCP-OAHLLOKOSA-N	418.305	5.120	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1nc(C(C)C)ncc1Cl	520968347	IAURSHULNNOKGH-UHFFFAOYSA-N	422.891	5.420	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	521813533	XWSJCUBLYKHNBA-ROUUACIJSA-N	407.583	5.249	30	20	HKED	
C[C@@](C#N)(NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C1CCCCC1	522025465	HJZLAGAXRQEWQH-FQEVSTJZSA-N	422.381	5.638	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1)C(C)C	522579837	MWOYXJKPBWDVGV-UHFFFAOYSA-N	410.517	5.096	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1	524435816	OLWJPXAKXQCHON-OAHLLOKOSA-N	405.832	5.052	30	20	HKED	
CCN(Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	524566371	SQCAJZALTYOAIG-GOSISDBHSA-N	403.551	6.146	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(Cl)cccc2OC)cc1	525144468	RSAOTHQAZODHAQ-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)c1C	525585654	HGKLQRCQFJIUDP-JOCHJYFZSA-N	400.478	5.324	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)c2)cc1	533969599	UGNWROJFLNMOOX-UHFFFAOYSA-N	418.403	5.203	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nn1C(F)F	534875859	UQEXTOVLWUMWKG-UHFFFAOYSA-N	402.788	5.156	30	20	HKED	
Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)ccc1NC(=O)c1cccs1	536095871	OJAOSXUZLDHFMD-UHFFFAOYSA-N	417.534	5.483	30	20	HKED	
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	537328650	DRDMHJIKCQMFJG-MAUKXSAKSA-N	408.370	5.264	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1	539460935	KZHNJSPWQZOVAW-ORPRQENYSA-N	417.481	5.011	30	20	HKED	
CCCn1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccc(Cl)cc1	540606169	CRLCDSVWJKXMIZ-UHFFFAOYSA-N	404.967	5.201	30	20	HKED	
CCOc1ccc(F)c(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c1F	541475768	DVCQDNQXFVMAJE-HNNXBMFYSA-N	410.289	5.067	30	20	HKED	
CCCCn1ccnc1-c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1	542385815	ZPXGVAILRJTSSE-UHFFFAOYSA-N	413.525	5.418	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc3ccc(O)cc23)cc1C	543946678	NXMVGNXZNLOBOS-UHFFFAOYSA-N	410.477	5.192	30	20	HKED	
N#CCCC[C@H](N[C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1ccccc1	550827131	KNEAMSHEDFOVNE-LGVFNWMJSA-N	415.537	5.009	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(Br)c1OC(F)F	553933549	QVRBPQAASAVOTR-QGZVFWFLSA-N	407.258	5.089	30	20	HKED	
CN(C(=O)c1ccc(F)c(C#N)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	556405792	DOWQVRNWEHPLNJ-UHFFFAOYSA-N	415.346	5.180	30	20	HKED	
N#CCCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1	558139517	XDFIBKIOTLRHDV-UHFFFAOYSA-N	419.403	5.528	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)c(F)c1	572292203	WALUPDXQWJFTMP-QFIPXVFZSA-N	420.419	5.463	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1oc2c(c1C)C(=O)CCC2	590234792	HNXFINMHZBJYRV-UHFFFAOYSA-N	414.461	5.118	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc2ccccc2n1	591862282	NHOXVKBHQVSSMU-IBGZPJMESA-N	405.482	6.002	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	592973951	LIULWQIYBJSTOG-CQSZACIVSA-N	411.458	5.497	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1	603657689	CUSVGVPPLVHXFY-HSZRJFAPSA-N	422.532	5.923	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cn2)cc1	603763534	DQTQXZRSNFBVPP-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SCC(F)(F)F	608915732	YQMBNSGIYDFZQU-UHFFFAOYSA-N	407.461	5.655	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)cn2)c1	609126427	IIHYLKUKASDAML-IBGZPJMESA-N	411.383	5.420	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c(F)c1	609252418	QNGGCVWYFRQBOL-UHFFFAOYSA-N	402.454	5.296	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)o1	609505829	WKJJZKHJGRGHHU-UHFFFAOYSA-N	409.445	5.761	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12	610040502	XEFWHKUWHVQQIS-UHFFFAOYSA-N	416.868	5.370	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cc(Br)c(F)cc2Cl)C2CC2)cc1	610585286	KAEZTJPZYZLGLI-UHFFFAOYSA-N	422.685	5.310	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC(CC(F)(F)F)C3)cc2Cl)cc1	610742982	MBZUMULFQPONKE-UHFFFAOYSA-N	409.795	5.420	30	20	HKED	
CC(C)OC1CCC(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1	611051893	LJSKOYHEYOIQFQ-UHFFFAOYSA-N	412.917	5.470	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2c([nH]c3ccccc23)C1	611160526	YAIYACVRDKMLTN-UHFFFAOYSA-N	422.488	5.731	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1	612369293	REKZRZRWCXTTME-OAQYLSRUSA-N	416.308	5.012	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)cc2Cl)cc1	615200634	RETFTZUARZHXGZ-SJPCQFCGSA-N	408.885	5.338	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c(C)c2c1	642061016	CTGQQTNIPAZWPB-UHFFFAOYSA-N	402.494	5.185	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2ccccc2o1	642281611	UVWPRMLFCAXHNY-MRXNPFEDSA-N	423.350	5.524	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	642282177	RGKDEEJSJMJPCB-AWEZNQCLSA-N	406.454	5.836	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)s1	671781153	WEUQVCWYDUTPKA-HNNXBMFYSA-N	418.444	5.135	30	20	HKED	
CC(C)(C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674465035	DJEOSCINRLGATN-VXGBXAGGSA-N	421.303	5.182	30	20	HKED	
CCOc1cccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1OC(F)F	678205814	AVLVBRWLVLBRDF-RYUDHWBXSA-N	421.328	5.249	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)nn1-c1ccc(Cl)c(Cl)c1	679088237	ARCMIGPSYPYTFY-INIZCTEOSA-N	421.287	5.526	30	20	HKED	
Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc1C	683689862	QSAFHXMNTVTASR-GFCCVEGCSA-N	408.335	5.680	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	728264645	CGFVNZQQMOFUCB-UHFFFAOYSA-N	409.493	5.021	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)s2)c2ncc[nH]2)c1	729240638	UACGNPKAGIBCLX-XSFVSMFZSA-N	404.466	5.709	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1F	730060918	LMGRBGCDRDVUPS-NRFANRHFSA-N	403.457	5.202	30	20	HKED	
N#CCOc1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1	731156121	IEVSIKYUSCZSQJ-UHFFFAOYSA-N	404.520	5.190	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)NC1CCN(Cc2ccccc2)CC1	731319669	GGMIQXWCUUQSNB-SFHVURJKSA-N	424.639	5.032	30	20	HKED	
Cc1ccc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCOCC2)cc1	731972183	KCPIDQGNDJCXST-RUZDIDTESA-N	410.517	5.337	30	20	HKED	
COc1cccc(C=Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1O	733205108	KQIKFPIPMHDSSX-UHFFFAOYSA-N	406.335	5.497	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1	733787059	KFXZXZVEMCOZAV-QFIPXVFZSA-N	423.516	5.301	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	733801026	QSHUGPSZTQZDLO-QGZVFWFLSA-N	415.320	6.224	30	20	HKED	
C[C@@H](COc1cccc(C#N)c1)OC(=O)c1csc(-c2ccc(Cl)s2)n1	733862424	XVJUSRJDAREANR-NSHDSACASA-N	404.900	5.021	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C\c3ncc(-c4cccc(Br)c4)[nH]3)c2c1	734308200	WDEYKYGTGZGGAV-FPLPWBNLSA-N	422.282	5.225	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN(CCc1ccccn1)Cc1ccc(F)cc1	735310169	RVEIILCWPDRZRT-UHFFFAOYSA-N	409.892	5.021	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3nc(C)cs3)c2)cc1	740536300	RGGRNJDPMYQADI-QVKFZJNVSA-N	417.534	5.593	30	20	HKED	
COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2ccccc2SCC#N)C1	741240769	XZEBYRKGKAZYOW-INIZCTEOSA-N	414.958	5.059	30	20	HKED	
C[C@H](OC(=O)/C=C\c1ccccc1C#N)c1ccc(N(C)Cc2ccccn2)c(F)c1	744204408	QKAJSXCLVCGUGW-LVWOJMJRSA-N	415.468	5.046	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	744410989	FEOWPMPJFRXXOF-ZVDOUQERSA-N	403.551	5.049	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)cc1OCCCC#N	747361494	QHJVYEVJCKFCJA-XFFZJAGNSA-N	422.500	5.403	30	20	HKED	
N#Cc1ccc(CN2C/C(=C\c3ccsc3)C(=O)/C(=C/c3ccsc3)C2)cc1	749454110	WFGQQEFEKMNVEI-VGENTYGXSA-N	402.544	5.233	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C)cc2)cc1C#N	752305239	MIRHFGMXNBMDLB-NRFANRHFSA-N	406.486	5.194	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)nc1Cl	752994048	BLSXPNNLOCSAGM-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
C=CCn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nnc1-c1cccnc1	760309545	JRESMPMZDKUXOO-UHFFFAOYSA-N	423.542	5.165	30	20	HKED	
CCO[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(C)C	761049757	QSOLEFNZZDMYBB-RDTXWAMCSA-N	411.354	5.744	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc(Br)ccc2F)ccc1OC(F)F	763123257	ZNJUPNUQSQSELR-KXFIGUGUSA-N	401.178	5.094	30	20	HKED	
N#Cc1ccc([C@H](O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1	763233489	TZZQKLAXBJINCR-GOSISDBHSA-N	407.495	5.195	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1)c1ccncc1	765498726	ITRNANBQYUNKBN-CYFREDJKSA-N	401.510	5.338	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1	766616908	LGGHOMGOVVLFDH-IINYFYTJSA-N	419.731	5.692	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(N2CCCc3ccccc32)cc1	770607981	VVVGBSLLFLZPOG-UHFFFAOYSA-N	401.441	5.065	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccnc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	771265191	KZSJRPHEBGJXJC-ITKZLYELSA-N	401.825	5.026	30	20	HKED	
Cn1nc(C(F)(F)F)c(CNc2cccc(OCc3cccc(C#N)c3)c2)c1Cl	771760749	FSMPVDXDWAINLC-UHFFFAOYSA-N	420.822	5.155	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1OC	772980538	SEVYSCUMNQEPNS-WMZHIEFXSA-N	407.558	5.217	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3cc(Br)ccc32)c1	772982071	CYZJHLJMIBAUED-YLJYHZDGSA-N	415.331	5.134	30	20	HKED	
CCCCCCCC[C@@H](C)CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1	774822278	CSEYIHXMEDJRDY-FGZHOGPDSA-N	404.639	5.404	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccnc(SC(C)(C)C)c2)cc1	778640398	KZDLUZHMCHZZAX-UHFFFAOYSA-N	409.555	5.039	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nc2ccccc2s1	781445667	XDGDTOLRGLGKFZ-LBPRGKRZSA-N	420.843	5.877	30	20	HKED	
CCn1c(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nc2ccccc21	782492629	JWHHKUXXPWUQBV-SFHVURJKSA-N	423.520	5.155	30	20	HKED	
Cc1ccc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Cl)c1C	783275159	VUPJHGVYJSKHKW-ZDUSSCGKSA-N	416.930	5.004	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccc2ccccc2n1	784486400	LEMCIRWLFNAWAJ-SFHVURJKSA-N	410.395	5.333	30	20	HKED	
N#Cc1ccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1F	791315407	UBOBAWBYEWKKBM-UHFFFAOYSA-N	419.239	5.335	30	20	HKED	
CSc1ccc(CSCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	794525132	TWKNMLPYWIULAZ-SFHVURJKSA-N	410.589	5.642	30	20	HKED	
CSc1ccc(C(=O)/C=C\c2ncc(I)s2)c(Cl)c1	794699885	CWTHSCKCUTWWLZ-PLNGDYQASA-N	421.712	5.019	30	20	HKED	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)cc1Cl	795936512	URGLACAHKRBYAX-HNNXBMFYSA-N	416.930	5.147	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)cc1	796904656	MTTQOOFKHULLMP-PXNSSMCTSA-N	408.498	5.265	30	20	HKED	
Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(N(C)CCC#N)cc2)SC1=S	814279179	NESZXMBWTFXEGW-RGEXLXHISA-N	407.564	5.059	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccc(COc4ccccc4)cc3)no2)cc1	904446448	NOKBPTUJKUIKFI-DEOSSOPVSA-N	422.488	5.529	30	20	HKED	
Brc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1	912828070	KDWAJRDVDSJZQX-UHFFFAOYSA-N	418.298	5.143	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3Cl)s2)cs1	915114013	ZGIWDDRETYGIDB-HJWRWDBZSA-N	416.955	5.794	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc([N+](=O)[O-])cc4)c23)cc1	916357408	OWAGGIUXZUOBIV-UHFFFAOYSA-N	419.466	5.111	30	20	HKED	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@@H](C#N)c5nc6ccccc6n5C)(C4)C2)C3)cc1	916627319	MRVFWCGCKFQCNS-FXMVYHNZSA-N	423.560	5.596	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1	916896222	BDIVDHSPMWIVCS-KRWDZBQOSA-N	409.898	5.042	30	20	HKED	
N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccccc1Cl	916911235	VAMUORHEQABJJS-CQSZACIVSA-N	411.914	5.010	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)CCCC3)cs1	917560351	WQLJITWIWKXUST-RAXLEYEMSA-N	420.509	5.742	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3nc4ccccc4s3)n2)cc1	920140456	CMZIYWPBMPOIEC-SCOAYWHSSA-N	412.499	5.181	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822331553	PCRPLVZCZMKCAM-QUCCMNQESA-N	412.578	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2)CC1	1829068669	JWQRMKXUPRJYIV-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
Cc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)sc1SCC#N	44789330	SDLLGBUPFZQWCW-UHFFFAOYSA-N	406.945	5.096	30	20	HKED	
C[C@@H](Cc1ccccc1F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	65447767	QIEOPSLDDINQGX-SFHVURJKSA-N	417.484	5.223	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1	65869950	VFVYNWDWTBHBLF-UHFFFAOYSA-N	411.505	5.179	30	20	HKED	
C=CCN(C(=O)CC[C@@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	71880575	VCRICBYKMMPMBZ-AWEZNQCLSA-N	411.354	5.595	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(C)s1	98079405	FNHYPAHTHGHPIK-UHFFFAOYSA-N	419.959	5.041	30	20	HKED	
C=CCn1c(-c2sc(NC(=O)[C@@H](CCC)c3ccccc3)nc2C)n[nH]c1=S	111199483	MGDKIWHCXZXVFR-HNNXBMFYSA-N	413.572	5.081	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)nc2ccccc21	195727822	IWYLKGAJVHRAKI-WMZHIEFXSA-N	415.880	5.223	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1	303172624	JKYAIWNVODOENC-XMMPIXPASA-N	412.489	5.123	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1	303896855	SIMKVYBYBOVNTI-DEOSSOPVSA-N	412.558	5.602	30	20	HKED	
N#Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(Cl)c1	430368890	ZKERVBQYHYENHC-UHFFFAOYSA-N	418.909	5.437	30	20	HKED	
C[C@@H]1CCCN(Cc2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)C1	431825509	TUNXLZJBCKXWTB-BWKNWUBXSA-N	418.585	5.153	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cn(CCCC#N)c3ccccc23)C2CC2)o1	434971031	GQQXPIATPROASA-UWJYYQICSA-N	401.510	5.466	30	20	HKED	
COc1ccc(SCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	437460919	SQRVEUQLDGAVSM-UHFFFAOYSA-N	408.454	5.229	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	438080332	LXYRTEWVBNIRSP-DNQXCXABSA-N	424.504	5.243	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(OCc2cscn2)c1	438207494	BRFFLHKQNMJHRQ-FCHUYYIVSA-N	418.522	5.026	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCC(C)C	438848708	QCQVNSYOOYVZQI-WIYYLYMNSA-N	409.530	5.135	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12	440390396	RTWAPYUCXSZJQM-ATIYNZHBSA-N	409.489	5.287	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)c(OC)c2)c2ccccc2Cl)c(OC)c1	440821839	SABWMANWXXRQEL-XMMPIXPASA-N	422.912	5.117	30	20	HKED	
C[C@H](c1ccco1)N(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1	444393795	BZGNDVHVZXTCCA-GOSISDBHSA-N	415.493	5.682	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)n1	444456968	HSQCUVRNAZQOLY-ZDUSSCGKSA-N	420.412	5.915	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)n1	447683599	RONDJPAFMXWPLG-QGZVFWFLSA-N	404.539	5.086	30	20	HKED	
CC(C)[C@@](C)(C#N)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	464553956	WLMWXXQUSMCALT-LJQANCHMSA-N	403.891	5.067	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	467864787	CRSJPGDGGGKZSJ-WISYIIOYSA-N	421.259	5.019	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(Cc2ccccc2F)CC1	468111622	SKKNCOSUNFCDDZ-UHFFFAOYSA-N	401.441	5.155	30	20	HKED	
Cc1cc(Cl)cc2c1OCCC[C@H]2Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469244308	NEOFKJLVVMZVEA-OAQYLSRUSA-N	423.944	5.557	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)CCCCCc3ccc(F)cc3)ccc21	469971288	CZHKQOMTARQDFX-UHFFFAOYSA-N	421.516	5.150	30	20	HKED	
CC(C)c1sc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)nc1-c1ccccc1	470822500	QTBSGUWZANHKQB-LJQANCHMSA-N	400.507	5.126	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1F	470987422	ZODSPSQMQVFEJY-UHFFFAOYSA-N	420.465	5.044	30	20	HKED	
CN(Cc1cc2ccccc2o1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	472687909	CJDGIIKWVSMPEW-UHFFFAOYSA-N	424.460	5.221	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1cccc(Br)c1	475546914	JTVPRMYWQDLQKH-UHFFFAOYSA-N	401.348	5.965	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1	475550145	VBFQTSVICSIFIM-NZQKXSOJSA-N	405.586	5.571	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O	475564293	ABZSGUIZTZMLLD-JOCHJYFZSA-N	405.542	5.198	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cc2cccc(F)c2o1	475700572	JUNDTOLRNMTYBU-HUUCEWRRSA-N	411.502	5.113	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1	476064960	COGJESGXUJVXTR-GDLZYMKVSA-N	402.519	5.048	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)cc1	476658701	AOUQXDGIICVFQB-NRFANRHFSA-N	414.509	5.295	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	482043601	PFGHGKGKFMGPGU-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	482906649	JUMVYLOJGCERSL-GMAHTHKFSA-N	421.541	5.047	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccccc1C	488904906	CNILWTMGVUMWDU-UHFFFAOYSA-N	412.946	5.132	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)cc2)c1	489826459	DRNAGLUIMUZQES-RDPSFJRHSA-N	413.477	5.250	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1ccc(C#N)cc1	491345263	FUBQVKXJMREZSD-OAHLLOKOSA-N	407.420	5.298	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc(-c4ccccc4)nc3C)n2)cc1	496552435	LSFJKRUFPHFMHT-SFHVURJKSA-N	415.474	5.272	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(OC2CCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	496570494	IUXXBFQVLXIGQI-KRWDZBQOSA-N	409.898	5.280	30	20	HKED	
CCCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C1CC1	498263399	BEACAHQAGXLFEJ-UHFFFAOYSA-N	414.509	5.182	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCCc3cccc4[nH]ccc34)c2)cc1	502161447	FZOVURVRJFXAJM-UHFFFAOYSA-N	424.504	5.177	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	502368493	RXUWTCVFHJRPKA-OYHNWAKOSA-N	408.860	5.024	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OCCC)c(Cl)c2)cc1	502630565	BCHVQRVIDAWMJQ-UHFFFAOYSA-N	402.882	5.080	30	20	HKED	
N#Cc1ccsc1NC(=O)CCNC1(c2ccc(C(F)(F)F)cc2)CCCC1	505464684	NEOCCLJBXAEURD-UHFFFAOYSA-N	407.461	5.026	30	20	HKED	
N#C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1c(Cl)cccc1Cl	505531727	FRAYNBXOJCZVOC-HNNXBMFYSA-N	404.322	5.307	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1	507783211	AFWBGVCKXUOFMI-UHFFFAOYSA-N	402.498	5.238	30	20	HKED	
COc1cccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	510003710	AKRPBXLXTASGKJ-QFIPXVFZSA-N	419.912	5.668	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)cc1	510027993	WDMFUFIXPBAQDB-CPJSRVTESA-N	412.489	5.248	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCCN(C2CCC2)C1	512831706	HDPPLRUDXGAXSY-UYAOXDASSA-N	418.541	5.125	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1OCCC	516769875	VCQQNFSUAZXGCW-GOSISDBHSA-N	421.522	5.273	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC	518555762	OBQCKGLGGCITDR-UHFFFAOYSA-N	406.413	5.068	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1	520924428	WDGZIKBRTNLINE-QWHCGFSZSA-N	409.338	5.794	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	521243885	BVRNQIXNAANNDR-LOSJGSFVSA-N	412.489	5.082	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3c(F)cccc3F)n2)cc1	521268603	ORUDVXJVTJQWHH-UHFFFAOYSA-N	413.449	5.047	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1	522707647	NZHBCDVLYOCVGD-AWEZNQCLSA-N	405.420	5.591	30	20	HKED	
C=CCCCN(C)C(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1	522944584	NWPRDIHRUBXFLT-UHFFFAOYSA-N	424.360	5.136	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	524566338	RTWSSLOLJJZLAA-INIZCTEOSA-N	407.539	5.911	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F	525443591	BERSZOCMFDBAPM-RUZDIDTESA-N	413.496	5.379	30	20	HKED	
C[C@@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccccc1C(F)(F)F	525557808	FHLNJWZOXGVELV-INIZCTEOSA-N	412.411	5.897	30	20	HKED	
Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C	532972647	UBAPYHJOHNJASF-XMSQKQJNSA-N	407.583	5.473	30	20	HKED	
CC[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1c(C)noc1C	533873712	URPGCEQOQFGGRW-IBGZPJMESA-N	409.873	5.490	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(-c2ccccn2)ccc1Cl	535115706	HMXSNTJYJAYKSC-UHFFFAOYSA-N	415.905	6.254	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1	535530498	UACFJUNCMAYSCZ-UHFFFAOYSA-N	400.434	5.204	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1	535594234	OQVUYASEDZDNPS-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
CCC(CC)n1ncc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1C	535999719	TWZDJXDVAWPTMY-UHFFFAOYSA-N	403.486	5.172	30	20	HKED	
C=C[C@H](CC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)c1ccccc1	536195693	AZUNQUGNTPIQJG-GOSISDBHSA-N	403.551	5.271	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	537097290	JAQQSAOMFRGCHL-UHFFFAOYSA-N	424.507	5.343	30	20	HKED	
C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(OCc2nccn2C)cc1	538114817	SQHOIKJCYCECTD-FQEVSTJZSA-N	422.532	5.389	30	20	HKED	
C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)c2ccncc2)cc1	540390865	XCIODMVBMQRANU-QGZVFWFLSA-N	423.438	5.055	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cc(C)n([C@@H](C)C3CC3)n2)cc1OC	543239994	QRASKLXGJUSCER-AWEZNQCLSA-N	420.351	5.111	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C#N)c2ccccc2n1	561384679	BNKQMGJNBPKIFI-UHFFFAOYSA-N	406.467	5.015	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC)cc1C(F)(F)F	562098774	QQWNLNMJQJOBJX-UHFFFAOYSA-N	410.440	5.102	30	20	HKED	
CC(C)OCc1cc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1O	563480905	DBWLHGJLQYBHLW-UHFFFAOYSA-N	417.465	5.625	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1F	563765524	DJCNNUKKBBUOCF-UHFFFAOYSA-N	418.396	5.228	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc3oc4ccccc4c3c2)c1-c1ccccc1	569418529	SLEBJOHTTKPLEP-UHFFFAOYSA-N	406.445	5.615	30	20	HKED	
N#Cc1cccc(C2(c3nc(-c4ncoc4-c4cccc(C(F)(F)F)c4)no3)CC2)c1	575366849	OXXJRLMDXFGZRA-UHFFFAOYSA-N	422.366	5.362	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1	588158796	NMFPVSBLQNVSLU-UHFFFAOYSA-N	401.304	5.441	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC=C(c3ccncc3)C2)cc1F	588256431	OKBAGCZNVJZNME-UHFFFAOYSA-N	414.440	5.206	30	20	HKED	
CC(C)(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1csc(-c2cc(F)ccc2F)n1	589504596	ZJECKVZLUJHMQI-LJQANCHMSA-N	423.488	5.041	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)C3(c4ccc(Br)cc4)CC3)n2)cc1	592995736	CCHZIEWFDOWFFB-UHFFFAOYSA-N	424.323	5.115	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cncc(Br)c3)c2C#N)C1	602286490	CRKAKFDNGNSTIO-GFCCVEGCSA-N	418.360	5.181	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OC)cc1	603690616	NDZAYTWCSQOLLV-NRFANRHFSA-N	402.454	5.027	30	20	HKED	
N#Cc1c(NC(=O)CSCc2coc(-c3ccccc3)n2)sc2c1CCCCC2	603750724	ZUHKNGPPCVEIQD-UHFFFAOYSA-N	423.563	5.416	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4c(OC(F)F)cccc4[nH]3)cn2)cc1	604241817	PDUZLQIZXLPRNS-UHFFFAOYSA-N	420.375	5.081	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Nc2ccccn2)n1)c1nc2cc(Cl)ccc2s1	606147060	RYMPHJZTRMRUMF-NSHDSACASA-N	411.899	5.035	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1	608985227	MLOGPNKXBHZLIR-UHFFFAOYSA-N	416.531	5.554	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2ccc(Cl)cc2)CC1	609062099	XHZQZFYPXOBHLP-UHFFFAOYSA-N	416.908	5.769	30	20	HKED	
Cc1sc(NC(=O)c2cc3ccccc3n2CC#N)nc1-c1cccc(Cl)c1	609165345	VKAGUOUBDMXTQT-UHFFFAOYSA-N	406.898	5.503	30	20	HKED	
CCCOc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl	609206513	QPCCAZYKUVYKCM-UHFFFAOYSA-N	413.905	5.076	30	20	HKED	
CCCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1Cc1ccccc1	609377402	DZBVKQABJIKUDK-GOSISDBHSA-N	418.566	5.388	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1	609398727	MQCQNUSFYHSALQ-HUUCEWRRSA-N	421.488	6.182	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCOc1cccc2ccccc12	609427595	NLSIZSPJCYNCNF-GOSISDBHSA-N	404.535	6.032	30	20	HKED	
Cc1cccc2sc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c(Cl)c12	609460815	RTAQPESOTJLISO-CYBMUJFWSA-N	408.832	5.877	30	20	HKED	
COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609497356	JFBLSAJGSCYHAJ-UHFFFAOYSA-N	420.852	5.237	30	20	HKED	
CC(C)OCc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	609501458	LNOCSLDCZONEBR-UHFFFAOYSA-N	400.478	5.722	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(C2CCCC2)CC1	610017160	JMICQTYGVPJCAJ-UHFFFAOYSA-N	418.541	5.141	30	20	HKED	
N#CCc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1	610117340	VYNVGWTZHZTPSU-UHFFFAOYSA-N	418.362	5.678	30	20	HKED	
C[C@@H](N[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccc(C#N)c1	610343854	UUPIVFHZBQSFBR-OPAMFIHVSA-N	423.438	5.608	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	611093056	UFGLCTYAZCVMGG-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N2CCC[C@](C)(C#N)C2)nc1-c1ccc(Cl)cc1	612141796	AMXLSAAJLYWFRD-RNODOKPDSA-N	402.951	5.168	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1cccc(Cl)c1	613391979	FVLROBJWLGQEGC-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1	618800380	FULPUPYOYZBEFH-CTNGQTDRSA-N	407.926	5.349	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1	619713727	MEVFYPPWAVXFMJ-UHFFFAOYSA-N	417.896	5.225	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1nc2ccccc2[nH]1	619752448	PHWSWZGLECUZIO-FQEVSTJZSA-N	421.435	5.045	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cs2)cc1	623759122	RAMYFFXBZFVQEO-IBGZPJMESA-N	413.502	5.636	30	20	HKED	
CSc1ccc([C@@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	675737120	AAZLYSJYQIQBHT-XEZLXBQYSA-N	403.407	6.108	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccccc1	676472269	IIHICAJOOACVFH-MRXNPFEDSA-N	404.470	5.235	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1	677601697	UCTJACQTXWCDBY-CQSZACIVSA-N	402.416	5.352	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNc1ccc(OC(F)F)cc1	726429560	PDDJTLSUJYSKKJ-UHFFFAOYSA-N	411.239	5.535	30	20	HKED	
COc1ccc(OC)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	726479896	BEQCAMDQCBVUQF-UHFFFAOYSA-N	405.479	5.177	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1nc2ccccc2o1	730071101	FNQDQBOOLHIEPS-AOMKIAJQSA-N	402.450	5.677	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1nc2cc(Cl)ccc2s1	730451865	COHSNSOHNVGOEN-UHFFFAOYSA-N	421.305	5.412	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CSc3ccccc3)n2)cc1	732497289	MJFYZICQWHAGFO-KXBFYZLASA-N	408.548	5.423	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C\c2ccc(C(C)(C)C)cc2)ccc1OC	733230767	ULCXINZFBKOKIF-IUAWBRRGSA-N	406.526	5.003	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)ccc1OC	733278271	SELYIBVGHAQCIR-OAQYLSRUSA-N	423.557	5.230	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1	734644536	QXWQZTLKABDOLR-ILBGXUMGSA-N	410.521	5.133	30	20	HKED	
C=CC[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)c1ccncc1	734743264	WWXULRXPTXCXAU-FQEVSTJZSA-N	414.914	5.123	30	20	HKED	
Cc1ccc(C)c(Oc2cccc(Cl)c2C=NNc2cnnc(O)c2Cl)c1C	734746462	LFTFERFSASGCRF-UHFFFAOYSA-N	417.296	5.653	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1	734934208	FMYBLMFLKRUQJH-UZLBHIALSA-N	411.571	5.233	30	20	HKED	
C=CC[C@H](C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)n(CCCC)c1=S	735067795	OAZWVDAMLKUEEN-HNNXBMFYSA-N	406.983	5.005	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccnc3ccccc23)cc1	735432010	JCZAREJIVVWSQL-KAMYIIQDSA-N	419.484	5.532	30	20	HKED	
Cn1cc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)c(-c2ccncc2)n1	741843850	QZRFIDUJOXGQBZ-DAXSKMNVSA-N	403.429	5.033	30	20	HKED	
C[C@@H]1Sc2sccc2C(=O)/C1=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	742437017	PZTOFOLUAXOTCS-CYANDVJASA-N	400.506	5.540	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3ccccn3)n2)ccc1SC(F)F	746347026	WXRBOEFEHFVTGX-SREVYHEPSA-N	404.463	5.425	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(C(F)(F)F)c1	748658831	XWHSDANGOQWIQI-MSKHEQNASA-N	404.457	6.120	30	20	HKED	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)c2c1	752582243	ODBKOOSMOKDYAV-UHFFFAOYSA-N	424.460	5.008	30	20	HKED	
C#CCCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1	757810811	DTDDQFCUVFNXHL-OAHLLOKOSA-N	423.365	5.432	30	20	HKED	
CCO[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(C)C	761049755	QSOLEFNZZDMYBB-KDOFPFPSSA-N	411.354	5.744	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)cc1	761663841	NILMJDSLKIMKBG-INIZCTEOSA-N	419.456	5.286	30	20	HKED	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	764056848	XLPFAEQDNUAKLZ-HSZRJFAPSA-N	421.504	5.396	30	20	HKED	
CC(C)(CC#N)COC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12	764825005	LYNYPRUGJWLGJE-UHFFFAOYSA-N	424.298	5.156	30	20	HKED	
Cn1cc(COC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(C(F)F)n1	770410267	IHBXKAOEYBTNLB-UHFFFAOYSA-N	417.799	5.032	30	20	HKED	
O=C(/C=C/c1ncc(-c2ccccc2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	770571126	ALXWPCRREVYKRF-CCEZHUSRSA-N	423.559	5.423	30	20	HKED	
C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(OCC#N)cc1	776154482	UQZCMQZVJXEPKB-OAQYLSRUSA-N	422.532	5.352	30	20	HKED	
C[C@H](c1ccccn1)N(C(=O)c1ccc(C#N)c(Cl)c1)c1ccc(N(C)C)cc1	777771323	SMGRLZMQACIMJT-MRXNPFEDSA-N	404.901	5.081	30	20	HKED	
C=CC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	778608093	WWHKTIONPJFCOK-HZPDHXFCSA-N	400.425	5.851	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(OCc2cccc(Cl)c2)c1	780177348	PAADONPGKMSXRX-MRXNPFEDSA-N	406.869	5.462	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1ccc(CC#N)cc1	782426317	MLFKWHABUKINOP-UHFFFAOYSA-N	400.356	5.092	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1nnc(-c2cccc(Cl)c2)o1	784122810	QXSPYOAAOXMKJQ-SNVBAGLBSA-N	421.762	5.198	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C\c3cnc(-c4ccc(Cl)cc4)s3)ccc21	789145149	ZAFNHDPYXVTGRO-NTMALXAHSA-N	408.910	5.269	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nccc2ccccc12	792099654	IKBLOQKWXRRZMN-IFXJQAMLSA-N	417.921	5.793	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc2ccccc2c1	796632273	JPYSFWSLCIGFCD-SBUREZEXSA-N	414.505	5.079	30	20	HKED	
N#C[C@@H](C(=O)C(F)(F)Cc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	796653036	XHXALVZBBRXYGH-ZDUSSCGKSA-N	410.367	5.369	30	20	HKED	
Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	806265133	KRVDGRPMNDTLEZ-MBSDFSHPSA-N	423.582	5.367	30	20	HKED	
CCOc1cc(/C=C(/C(=O)OCc2cc(C#N)ccc2F)c2ccccc2)ccc1O	808421562	MPOYEWGCFKIFBI-FYJGNVAPSA-N	417.436	5.086	30	20	HKED	
C[C@@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)c1ccc(OC(F)F)cc1	811418068	DQVZKNOVLMIKJU-MRVPVSSYSA-N	424.268	5.013	30	20	HKED	
Cc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	817319703	RFLMRHGXHVRWLY-HXUWFJFHSA-N	407.514	5.507	30	20	HKED	
C=CCCC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1	883985802	CJIVYFXUGVNURP-VQTJNVASSA-N	409.492	5.334	30	20	HKED	
N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl	916927600	MENXNJNCTQTVBU-MRXNPFEDSA-N	414.292	5.145	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c2ccccc21	916946397	SYQNKZCEVXJEOY-CQSZACIVSA-N	420.683	5.100	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976900	WMBIETHORFVYIC-DOMZBBRYSA-N	417.317	5.761	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(C)cc2)cs1	920357827	WKSCXZUYAGSONU-UHFFFAOYSA-N	418.444	5.601	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	920804502	SGNSVFUFGXFPBH-CQSZACIVSA-N	418.465	5.337	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc(Oc2cc(F)cc(F)c2)cc1	921260903	GHXLUCSEFJHFSO-OCKHKDLRSA-N	400.450	5.260	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1COC(=O)c1cc(O)nc2ccc(F)cc12	1460038626	VIPVSEPTMWMQFC-UHFFFAOYSA-N	414.392	5.100	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(C)n3)cc2)CCC1	1787169599	JVAXLAWFRHPFKH-JOCHJYFZSA-N	417.553	5.215	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)C2)CC1	1809164164	WKROKCBWJOTFHF-GPXNEJASSA-N	424.629	5.260	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(C)cc1	10173232	SIZNJZRPVHVBTH-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
N#Cc1ccc(CCC(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1	12955160	UWZIFUQMPIJYDM-AREMUKBSSA-N	408.457	5.140	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1	22797026	MKNLCOAFTWUGGC-UHFFFAOYSA-O	423.646	5.674	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc12	25438327	QZHQKEPSBUMUCZ-UHFFFAOYSA-N	400.507	5.449	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCSc1ccccc1	31552953	TUPVYAIADXMWPE-UHFFFAOYSA-N	404.560	5.622	30	20	HKED	
N#CCCCOc1cccc(NCC(=O)Nc2ccccc2Oc2ccccc2)c1	55876910	XBHCFQHVMMYYDX-UHFFFAOYSA-N	401.466	5.212	30	20	HKED	
C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccco1	58481530	NMXIVXAZRDGKHV-UHFFFAOYSA-N	424.551	5.360	30	20	HKED	
CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1	71858147	PXIFAOBZJNOFQO-UHFFFAOYSA-N	421.522	5.294	30	20	HKED	
O=C(Nc1cccc(/C=C2/CCc3cc(O)ccc3C2=O)c1)c1ccccc1Cl	207933867	KCERHOKKLPYIJE-ATVHPVEESA-N	403.865	5.510	30	20	HKED	
CCCC(=O)Nc1ccc(CNc2c(C#N)cnc3ccc(OC(F)F)cc23)cc1	301072602	HGKPNVIHGKQFEM-UHFFFAOYSA-N	410.424	5.059	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	303269724	GZPIWSNIEVZAPD-QGZVFWFLSA-N	413.502	5.855	30	20	HKED	
C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	303305506	PNYCHFOMRNCEHV-OLZOCXBDSA-N	409.338	5.651	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cc1OC	303680672	IXZYWBKBACPGCB-QIXNEVBVSA-N	419.525	5.081	30	20	HKED	
COCCN(C(=O)c1csc(-c2ccc(C(C)C)cc2)n1)c1ccc(C#N)cc1	303876632	INAXOKGHAOZRAQ-UHFFFAOYSA-N	405.523	5.098	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCOC4(CCCCC4)C3)cc2)cc1	426117423	VYRKMWSGBXGNPN-HXUWFJFHSA-N	405.498	5.354	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1	429622064	MVOOPLCLSSTYSO-NRFANRHFSA-N	404.514	5.335	30	20	HKED	
CC(C)(c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1)C(F)(F)F	429675727	OJRAEOIRJQHZDU-UXHICEINSA-N	415.459	5.830	30	20	HKED	
Cc1cnc(C2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)s1	432468975	MOXBLCQXDXURPV-UHFFFAOYSA-N	417.534	5.444	30	20	HKED	
N#CCC1(CNC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CC1	432568139	KEMPVAOKHXHKRF-UHFFFAOYSA-N	412.902	5.557	30	20	HKED	
Cc1c(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)cccc1OCC(F)(F)F	433227006	JDXDZKQZPJADAK-HNNXBMFYSA-N	424.316	5.342	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1F	437498689	TZUGTPUFARPLBS-MRXNPFEDSA-N	402.425	5.385	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC(C#N)CC2)ccc1Oc1ccc(C(F)(F)F)cc1	438519250	RGRRSTGTFVSKHN-UHFFFAOYSA-N	414.387	5.137	30	20	HKED	
Cc1sc(NC(=O)CCc2nc3cc(Br)ccc3s2)c(C#N)c1C	443812394	CRCRTQUHGKBSJA-UHFFFAOYSA-N	420.357	5.180	30	20	HKED	
COCCSc1ccc([C@@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1	444183145	NBQPFWMEDGVKMO-GOSISDBHSA-N	421.566	5.175	30	20	HKED	
CC(C)(C#N)CCCCN[C@@H](Cc1ccccn1)c1ccc(Br)cc1	444700883	GKDQSXQSHHMMLK-FQEVSTJZSA-N	400.364	5.438	30	20	HKED	
COc1cc(OC)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	446210860	NQTAKOHBSDDYLM-UHFFFAOYSA-N	411.273	5.133	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C(F)(F)F)nc3C)n2)cc1	464184450	LYNYUFLMIUMIFY-GFCCVEGCSA-N	423.441	5.093	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	464212011	RQRXLXYWDAWXNU-KSFYIVLOSA-N	401.441	5.108	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(-c3cccnc3)cc2)c1	464901460	OTCFEGCSXQADCA-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(-n2cccn2)c1	466664222	KHHSOKJUQPFWIQ-GOSISDBHSA-N	423.476	5.419	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)co2)cc1	467707120	VSHQOQBAFVUAIR-INIZCTEOSA-N	406.511	5.224	30	20	HKED	
CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1OC(F)F	469144141	BYCQJNGNHWIAHM-LJQANCHMSA-N	413.468	5.434	30	20	HKED	
CC(C)Cc1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469951037	UGNSCVLWGJXHPA-UHFFFAOYSA-N	417.553	5.039	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(C(F)(F)F)cs1	470582807	OQCJBRVRWKFMBI-LBPRGKRZSA-N	401.413	5.192	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](COC)Cc1ccccc1	472757083	VMXLEOGSBQBPLG-ICSRJNTNSA-N	411.571	5.192	30	20	HKED	
COCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(Cl)c1	473483382	OLKLRXPFZNIXHR-CQSZACIVSA-N	421.305	5.118	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(O)c(Br)c1	475582197	JBHRHFHLJZUJFF-UHFFFAOYSA-N	403.320	5.328	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1	476400638	WPVMVHNZBNVVOA-QHCPKHFHSA-N	411.546	5.291	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12	477512871	UJRPRCDMQMRZGA-SANMLTNESA-N	405.501	5.642	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCOCC(F)(F)C(F)F)C1CC1	478094639	YFNDZWULTGLLCA-LLVKDONJSA-N	415.349	5.065	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c1C#N	478499601	FUWYKUDUDNBWDA-UHFFFAOYSA-N	404.495	5.077	30	20	HKED	
C=CCn1c(SCc2noc(Cc3ccccc3)n2)nnc1-c1cccc(Cl)c1	481380559	ZKWRSVRANRRJIT-UHFFFAOYSA-N	423.929	5.051	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCCc4occc43)cc2F)c1	481595363	ISUWZZFUNREZNV-HXUWFJFHSA-N	405.429	5.068	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)cc1	482793508	MDHKCCLVIWNXOV-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)ccn1	483109584	LZOGFJWOIATRFC-UHFFFAOYSA-N	404.882	5.063	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(F)cccc3Br)cc2)cc1	486741282	YOAHBFCYNALHJH-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
C=C(C)CN(C)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	487099138	KUCKFFOIIYKPDK-ZDUSSCGKSA-N	408.365	5.160	30	20	HKED	
O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(F)c(C(F)(F)F)c1	490279610	POTMNFDGLWDZOM-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3[C@H]4Cc5ccccc5[C@H]43)c2)cc1	494245606	SSVSZTHEOLWJIW-TWJOJJKGSA-N	423.516	5.039	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCC3CCSCC3)cc2Cl)c1	502465627	FNMFMCHNFDDQOQ-UHFFFAOYSA-N	415.946	5.055	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1cccc2[nH]ccc12	503070446	GINGZAKCYJAIDL-UHFFFAOYSA-N	424.504	5.291	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1	505030402	VTQDETVSWGLTGY-FQEVSTJZSA-N	415.331	5.173	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CCCC2)c(OC)c1	505978425	COXDZCRGOMZCIG-UHFFFAOYSA-N	421.541	5.010	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1	508143612	ATOAUHVANBUEMJ-UHFFFAOYSA-N	421.497	5.016	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1	508291187	VGFBKXPCGCFZST-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
CC(C)(C)c1csc(C2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)n1	512669096	QIRLWVJVGCBDSK-UHFFFAOYSA-N	413.562	5.135	30	20	HKED	
N#C[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1	517605572	LIYAOEDJWVAMNJ-HXUWFJFHSA-N	411.288	5.491	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2)cc1	517645811	JMCPTGNUTSDVJJ-UHFFFAOYSA-N	412.493	5.183	30	20	HKED	
CCn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc2ccccc21	517801025	WACPGIMUHGMPGP-GOSISDBHSA-N	401.491	5.283	30	20	HKED	
CN(CCOc1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	519193080	YRAVVFUOAVAWCD-UHFFFAOYSA-N	405.429	5.032	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	521810880	IJGKIYLKYPQUQZ-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
N#CC1(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)CCOCC1	521839388	XJOWROWRCVTXOB-UHFFFAOYSA-N	409.244	5.184	30	20	HKED	
C[C@@H](Nc1ncc(C#N)cc1Cl)c1cccc(NC(=O)Cc2ccccc2F)c1	524165723	ZRVMEQVVJWQSII-CQSZACIVSA-N	408.864	5.100	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	524204331	KQKAAOWVROIODG-KXBFYZLASA-N	402.416	5.098	30	20	HKED	
CCOc1ccc(-n2c(SCCC(C)(C)C#N)nnc2-c2cccc(OC)c2)cc1	524987656	VCZPWDREOQZWAM-UHFFFAOYSA-N	422.554	5.374	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1	534137031	LNNFFCGSZZJFQH-FQEVSTJZSA-N	410.517	5.330	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3CCc3ccccc3)cc2)nc1	536316182	SPBHBWVJOWEMSP-QHCPKHFHSA-N	411.505	5.373	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc([C@H]3CCOC3)c2)cc1	536424743	USSWHVTXWGIFSA-DEOSSOPVSA-N	414.480	5.044	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1	536688564	BHUMSDCYJYTMKU-GFCCVEGCSA-N	403.429	5.833	30	20	HKED	
N#CCCCOc1cccc(N[C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)c1	541565818	GYEOVKBGAKQGBD-SANMLTNESA-N	411.480	6.258	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	546005827	XXFUEEKVOGNTKR-OAQYLSRUSA-N	410.445	5.317	30	20	HKED	
C=C(C)[C@H](NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C)c1ccc(F)c(F)c1	547814578	RMQKSWYGFBRENI-QFIPXVFZSA-N	411.448	5.588	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C)C2CC2)c(OC)c1	549179785	DRIUKEDAUKNRGH-QGZVFWFLSA-N	421.541	5.338	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(F)cc2F)ccc1OCc1cccc(C#N)c1	553338156	YQOCUPHUKOTPLD-INIZCTEOSA-N	408.448	5.275	30	20	HKED	
CCN(CCC(=O)Nc1ccccc1C#N)[C@@H](c1ccccc1)c1ccc(F)cc1	557374577	LGYOHSWYDGIKJM-VWLOTQADSA-N	401.485	5.137	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1c(F)cncc1F)c1ccc(-c2cccc(C#N)c2)cc1	561967011	LOTUKTPIXVRTNU-LSDHHAIUSA-N	406.436	5.020	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccc(F)cc2)cc1	564528558	JUFUDRUPQJNABD-JOCHJYFZSA-N	414.402	5.604	30	20	HKED	
CCCc1nc(C)c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	566800470	CTHDLWWJAOOVFI-UHFFFAOYSA-N	405.523	5.030	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3scc(C)c3C#N)c2)cc1	578397584	BEJDDDYUUCYTLN-UHFFFAOYSA-N	418.518	5.281	30	20	HKED	
CSCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)oc2ccccc12	603622793	YVDAIZVQYSRQAW-UHFFFAOYSA-N	415.474	5.607	30	20	HKED	
CCOc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	603904747	OIASDDXGYBVMBS-SFHVURJKSA-N	419.308	5.006	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCSc4ccccc43)cc2)cc1	604461934	WXUNQOMUBGBYJH-NRFANRHFSA-N	401.491	5.709	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)cc1	604973152	BTZPJQCAUSTFJH-UHFFFAOYSA-N	421.447	5.500	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)C1CC1	609078563	ZNNZCQOGIMLHQT-UHFFFAOYSA-N	411.505	5.642	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	609206379	NAMXVHXFINIJFQ-UHFFFAOYSA-N	405.420	5.138	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1c[nH]c2cc(Cl)ccc12	609398830	VJNUNBDGFNLCLV-CQSZACIVSA-N	412.946	5.437	30	20	HKED	
COc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC(F)F	609434681	ISZQYUKGQWAAEZ-CYBMUJFWSA-N	421.469	5.013	30	20	HKED	
COc1ccccc1CSCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	609853022	QFRVMPODZQNNFA-AWEZNQCLSA-N	400.569	5.015	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	613290922	PFAGXDSLACYHCA-NRFANRHFSA-N	405.457	5.286	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(F)cc1	613402546	CRZSWLDKDJWABT-HNNXBMFYSA-N	410.861	5.073	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1	619516242	MOQWFQWFPYDZKK-INIZCTEOSA-N	415.415	5.080	30	20	HKED	
C=C(C)CN(CC)C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1	643137831	IRIAGJIIOCQIJB-UHFFFAOYSA-N	418.331	5.075	30	20	HKED	
C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(COC(C)(C)C)c1C	673848121	PNXUMSJARMSZKF-UHFFFAOYSA-N	419.525	5.313	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)Nc1ccc2c(cnn2C(F)F)c1	676593177	BFANXLNGHHPIGQ-UHFFFAOYSA-N	420.288	5.730	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc2ccccc2n1	677557082	DUWOOAWYUCXSAO-OAQYLSRUSA-N	400.441	5.335	30	20	HKED	
C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CC#N)c2C1	725712859	INLBCTIWPWWCQY-GMQRBVGNSA-N	424.548	5.019	30	20	HKED	
CC(=O)Nc1cccc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c1	725838202	JDIMGZHUOGNUIB-UHFFFAOYSA-N	419.485	5.292	30	20	HKED	
Cc1nc(CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)oc1-c1ccccc1	730398474	JAHKUVXXKFEGEW-LJQANCHMSA-N	413.502	5.583	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1	730982168	JVZXKKGBIYWBQT-UHFFFAOYSA-N	413.499	5.119	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1	731199145	MHSAOCIVIIAPML-UHFFFAOYSA-N	402.454	5.233	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	732496509	XCOXVRGNNOIMDC-KSSFIOAISA-N	412.967	6.068	30	20	HKED	
CC[C@H](OC1CCCC1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	733679479	IWMYDLACTZXXIZ-YJBOKZPZSA-N	423.365	6.031	30	20	HKED	
C[C@H](OC(=O)CCOCC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	733710363	SKMHFGHWVKDPAI-QMMMGPOBSA-N	412.248	5.297	30	20	HKED	
O=C(/C=C\c1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccc(SC(F)F)cc1	734982203	ZFNZQMKPMMKRKR-CLTKARDFSA-N	400.406	5.016	30	20	HKED	
C=CC[C@H](NC(=O)c1csc(-c2ccc(Br)s2)n1)c1ccncc1	737855579	YXNZSTORMXQKEE-LBPRGKRZSA-N	420.357	5.076	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Oc1cccc(Oc2ncccn2)c1	739538373	PTGHFCKJZWQJTO-UHFFFAOYSA-N	416.355	5.072	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCC#N)c1ccccc1-c1ccc(Cl)cc1	739778635	ILHLTNKQJNSIDX-INIZCTEOSA-N	406.938	6.114	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(-c2ccccc2)n([C@@H](C)c2ccccc2)c1=S	739841713	PAXGVWWWSDQMSM-IBGZPJMESA-N	405.571	5.272	30	20	HKED	
C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1-c1ccc(Cl)cc1	740014910	ZLROWSGHVSNMHN-IBGZPJMESA-N	403.957	6.208	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C/c2cc(Cl)ccc2OC2CCCC2)cc1F	742434819	NYVXOFVIKQZYPU-RMKNXTFCSA-N	422.905	5.100	30	20	HKED	
CCCOc1ccc(C=NO[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1OC	744443908	OVXZSJYMEKSBPP-HNNXBMFYSA-N	413.449	5.093	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	746137341	OXBJTTRJSHTJEV-XJKSGUPXSA-N	417.456	5.184	30	20	HKED	
COc1cccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)c1	747154856	MWAVNENENOPCAA-RCCKNPSSSA-N	419.908	5.870	30	20	HKED	
CC[C@@H](C(=O)N1CCC(/N=C/c2c(O)ccc3ccccc23)CC1)c1ccccc1	749105726	XMIFUOLUMFSDNC-XHOYQDIRSA-N	400.522	5.149	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(OC)cc1	752476914	FXJWVMGFMOKZKS-JTSKRJEESA-N	400.478	5.080	30	20	HKED	
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1cc2c(s1)SCC(=O)N2	758025958	OJAVWAHEWPRQNP-NSCUHMNNSA-N	400.308	5.004	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C2CC2)no1	761174544	MIXMJVASGGXMSD-CQSZACIVSA-N	405.479	5.029	30	20	HKED	
CC(C)(C)c1nnc(COC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)o1	761489603	ZPILKGWYADKQHS-UHFFFAOYSA-N	411.845	5.041	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1	761668398	OGWGRILJLZARJO-IBGZPJMESA-N	401.869	5.531	30	20	HKED	
CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl	764302970	ULLJRVYVQJCBFC-KRWDZBQOSA-N	401.850	5.039	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(Cl)c1	766325746	NHJQUMYACSETGS-INIZCTEOSA-N	411.914	5.202	30	20	HKED	
COc1ccc(CN(Cc2ccc(OC)cc2)Cc2ccc(O[C@@H](C)C#N)cc2)cc1	769333066	NHLKZEUNYNVHSJ-FQEVSTJZSA-N	416.521	5.197	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)c2)s1	772429410	QYRDGRZTAILTCS-UHFFFAOYSA-N	423.448	5.422	30	20	HKED	
C=CCc1cc(CN[C@H](C)c2ccc(OC)c(Br)c2)cc(OC)c1OC	772953642	KOEWHNUHBQZVSK-CQSZACIVSA-N	420.347	5.054	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2sccc2Br)ccc1OC	772984441	FOOYYLVVDRKIKI-TZMCWYRMSA-N	409.349	5.051	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1OCc1cccc(C#N)c1	775835732	IUBGOIFMMKHUCT-IBGZPJMESA-N	415.537	5.063	30	20	HKED	
N#CC1(c2ccc(COC(=O)c3ccccc3SCc3cscn3)cc2)CC1	777146128	RDGLNIAPXYZCHC-UHFFFAOYSA-N	406.532	5.348	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC1(C#N)CCCC1	780529345	GDDWRCZXWVNRAT-UHFFFAOYSA-N	402.903	5.203	30	20	HKED	
COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)CC(C)(C)C#N	786296868	PRHRZMJBXYXPPU-UHFFFAOYSA-N	416.477	5.254	30	20	HKED	
Fc1ccccc1-c1nnc(S)n1N=Cc1cnc(-c2ccc(Cl)cc2)s1	788968680	XTVYSYCPFYLJEK-UHFFFAOYSA-N	415.906	5.032	30	20	HKED	
N#C[C@H](C(=O)Cc1cc(Cl)ccc1Br)c1nc2ccccc2s1	790766876	ICJFXQWMPFSKRO-GFCCVEGCSA-N	405.704	5.131	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)[C@H]3OCCc4sccc43)n2)cc1	796764038	OHOFPIWHCNOIHT-AVBTWRTFSA-N	408.548	5.306	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1)c1ccncc1	797460141	NRXOQZDCQSRQCA-UXHICEINSA-N	414.347	5.316	30	20	HKED	
CC(C)(CCC#N)COC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	798876620	ASYOAJBHPZKGGD-UHFFFAOYSA-N	422.569	5.006	30	20	HKED	
CC(C)n1ncc2cc(CNc3ccc(OC(F)(F)F)c(C#N)c3)c(Cl)nc21	799346567	FHUUWULCHHAWLU-UHFFFAOYSA-N	409.799	5.048	30	20	HKED	
CCc1ccc(N(C(=O)/C=C/c2ccccc2C#N)c2nc3ccccc3s2)cc1	799715907	LCERDZRBEQBIBF-DTQAZKPQSA-N	409.514	6.108	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC([C@@H](O)c2ccccc2C)CC1)c1ccc(F)c(F)c1	805303439	XAZFUPVGXIVZFD-DHIUTWEWSA-N	414.496	5.046	30	20	HKED	
N#C[C@@H](C(=O)C1CCN(Cc2ccccc2)CC1)c1nc2cc(Cl)ccc2s1	805858396	DNDTWYTXNHVMRM-SFHVURJKSA-N	409.942	5.038	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(NC(=O)CCC)c1C)c1ccc(Cl)cc1F	806231597	LPKKWSOLSKIJJA-QGZVFWFLSA-N	401.869	5.022	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(Cl)cc1F	806247733	OEEHTHXEZCHNKH-IBGZPJMESA-N	415.877	5.011	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)OC2)c1ccc(C(F)(F)F)cc1	808895479	MNTBZGXDOVRDMT-GOSISDBHSA-N	404.388	5.205	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)Nc1ccccc1O[C@@H](C)C#N	810306241	DGNXKQMAJVEXHT-LBPRGKRZSA-N	420.332	5.496	30	20	HKED	
CC(C)(C(=O)OCCCSCC#N)c1csc(-c2c(F)cccc2Cl)n1	811362242	ORSPUHYRYVETQB-UHFFFAOYSA-N	412.939	5.070	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c2ccccc21	811549742	XNSBHOLBVIZCSI-IZZNHLLZSA-N	423.516	5.150	30	20	HKED	
CC(=O)N(c1nc(C=NNc2cccc(Cl)c2C)cs1)c1ccc(F)cc1F	915051167	NJENBFZQDYJDOO-UHFFFAOYSA-N	420.872	5.514	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(C)nn(Cc3ccccc3)c2C)S1	915849095	XLYIBDWWSXSNNA-FYJGNVAPSA-N	416.550	5.057	30	20	HKED	
CCOc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	916056915	KQBCPNRUHAMFNN-QFIPXVFZSA-N	404.897	5.575	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(CSc2ccccc2)cc1	916885455	XLGQVGQFZKCUDC-OAQYLSRUSA-N	420.921	5.593	30	20	HKED	
CCOc1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1	916954487	IIFARWLCGLOPFI-IERDGZPVSA-N	410.539	5.038	30	20	HKED	
N#Cc1c(NC(=O)c2nc(Cl)ccc2Cl)sc2c1-c1ccccc1CC2	917773772	CGTMYQOKMUUGCS-UHFFFAOYSA-N	400.290	5.339	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3C)CCC2)cc1	1789624220	MKGAFMQGDKKDBR-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(B3OC(C)(C)C(C)(C)O3)cnc21	1857777405	UFMUIAKWLZJIOD-UHFFFAOYSA-N	418.438	5.498	30	20	HKED	
COc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)cc1	15242483	IJQLYVBYKZOQKB-OAHLLOKOSA-N	423.929	5.132	30	20	HKED	
C=CCn1c(SCC(=O)c2sc3ccccc3c2C)nc2sccc2c1=O	16621556	HISRXYMLMDZAIG-UHFFFAOYSA-N	412.561	5.142	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCOc1ccc(C#N)cc1OC	18260200	QSDAAWXRDYJPLN-UHFFFAOYSA-N	400.906	5.143	30	20	HKED	
C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	27042566	BLAHTUAQNVAGGF-CYBMUJFWSA-N	420.538	5.346	30	20	HKED	
CCOc1ccc(SCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	32288990	CACBKCQJDAMYAA-UHFFFAOYSA-N	418.518	5.267	30	20	HKED	
CC(C)OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	41514627	CWIIFQRIAFRBPY-LJQANCHMSA-N	410.926	5.879	30	20	HKED	
CC1=NN(c2ccc(/C(O)=N/c3nnc(SCc4cccs4)s3)cc2)CC1	50004759	LIQMMIMZAXAYGN-UHFFFAOYSA-N	415.569	5.114	30	20	HKED	
CC(C)c1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C(C)C)c1	58052909	VGICEAHHHJHGGL-UHFFFAOYSA-N	418.585	5.545	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	66037428	NGKIYWVEFAPJTP-UHFFFAOYSA-N	409.445	5.495	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	78719886	OSMOOHOIPKMMEQ-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccc(C)c3)no2)nnc1-c1cccc(C)c1	97262217	GUVNWBWWWVRCAO-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
Cc1ccccc1-c1nnc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1	214127650	BVNVBWJSLDTXLK-QAIWHXNASA-N	419.550	5.406	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cc1noc2ccccc12	216876100	VIFJCBHGZAYNAX-UHFFFAOYSA-N	401.853	5.129	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCSc4ccc(F)cc43)c2)c1	303595581	IXCZMIKLANZXKJ-QFIPXVFZSA-N	418.493	5.243	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)cc2)c1	303642900	HXHBPYKRUYDIEA-UXHICEINSA-N	404.416	5.158	30	20	HKED	
C[C@@H](NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc(C#N)cc1	409786036	GYWTUNYQCDVKCC-QRQCRPRQSA-N	408.860	5.348	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1c(-c2cccc(Cl)c2Cl)noc1C	430409440	NSKMHVGBDXCOOI-UHFFFAOYSA-N	416.264	5.480	30	20	HKED	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	433148380	AMFIDGHXMMYQFJ-PBBNMVCDSA-N	411.571	5.290	30	20	HKED	
CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)C2	435595282	BEHUVCXXMXJDFK-QGZVFWFLSA-N	409.555	5.317	30	20	HKED	
CC(C)(C#N)CCCC[S@](=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	436112515	HRLPVJVBUOUUIX-MHZLTWQESA-N	414.518	5.798	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C	436345392	MRFYOOCHSGTGBE-CRAIPNDOSA-N	403.573	5.014	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccncc1	438209818	FEGBCOIPYZICNF-HXUWFJFHSA-N	402.454	5.027	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	442671487	MGVBVWKAJHFQKN-GFCCVEGCSA-N	422.735	5.585	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c2ccccc21	444302805	BXWUFPUXPQVUBY-QFIPXVFZSA-N	412.493	5.454	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1Cl	446039917	SIWRQNFAFSMBRF-NRFANRHFSA-N	412.823	5.018	30	20	HKED	
CCN(C(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1)c1ccc(C#N)cc1	461545704	OXGJJKBBEIWRMN-UHFFFAOYSA-N	400.906	5.312	30	20	HKED	
C=CCc1cc(CNCc2ccc(Oc3ccccc3F)c(F)c2)cc(OC)c1O	462763151	NZENLKDLQFXFBL-UHFFFAOYSA-N	411.448	5.490	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1	463719262	ZGGADELBUXKHBT-SFHVURJKSA-N	402.542	5.248	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1	465659107	LUOHJQHMQCPNDU-RBUKOAKNSA-N	413.521	5.697	30	20	HKED	
N#Cc1cccc(SCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1	468644019	WTESPMIITHBLAS-JOCHJYFZSA-N	411.530	5.080	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3sccc3-c3ccccc3)ccc21	470790369	SAZZUOIRMBPHHA-UHFFFAOYSA-N	415.518	5.250	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3ccc(F)cc3)c3ccccc3Cl)o2)cc1	471607059	RNUBKIQJABWAPL-QFIPXVFZSA-N	418.859	5.280	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C(F)(F)F)o1	471818919	FRPCVHIUEYLIFY-UHFFFAOYSA-N	418.346	5.449	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	475948280	RKZHKNVRDJOHRX-GOSISDBHSA-N	416.481	5.116	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)C[C@@H](CC#N)c3ccccc3)c2C)c1	476499153	JLKKGOGHBGSDMD-JOCHJYFZSA-N	414.505	5.609	30	20	HKED	
C=C(C)[C@@H](N[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1	481621088	CUCHJBQXCPGYAK-ZUOKHONESA-N	403.860	5.560	30	20	HKED	
Cc1ccsc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481684481	JMKVZUVBQOZHHY-UHFFFAOYSA-N	409.486	5.310	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](c3ccccc3)c3ccccn3)c2)cc1	481921374	OPTKFOXPRPENRD-RUZDIDTESA-N	405.457	5.265	30	20	HKED	
CCc1c(C)sc(NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)c1C#N	485513235	JMSTUANCNCKOJO-UHFFFAOYSA-N	419.428	5.725	30	20	HKED	
COc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc(OC)c1C(C)C	486545598	BSKCHNNCUHJUQQ-UHFFFAOYSA-N	410.558	5.152	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2csc3ccccc23)nnc1-c1ccco1	487469798	GQDFCJHMRRJPHB-UHFFFAOYSA-N	410.524	5.060	30	20	HKED	
COc1cccc(Cn2ccc3ccc(NC(=O)c4c(F)cc(C#N)cc4F)cc32)c1	490365290	JRVBXTMZBKXRNS-UHFFFAOYSA-N	417.415	5.100	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccsc4)s3)n2)cc1	491974366	BNKJVFKZEUWKGK-HNNXBMFYSA-N	407.545	5.794	30	20	HKED	
C=CCCOCCCCC(=O)N1CCC(c2ccc(Br)c(C)c2)CC1	494152905	NOIXHOHDBIAVBU-UHFFFAOYSA-N	408.380	5.227	30	20	HKED	
CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	494217266	USIYEXRXRUJJHE-RHSMWYFYSA-N	415.588	5.135	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cnc(OC3CCCCC3)c(Cl)c2)n1	498063294	SVDLXRRESAAWQY-OAHLLOKOSA-N	403.935	5.516	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	498916974	FPMXAJFYNNHAOA-UHFFFAOYSA-N	417.484	5.607	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	498957774	LGKDESBKFUQPCN-INIZCTEOSA-N	402.585	5.100	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1	499955678	SSYPGDBAAYHYBQ-HXUWFJFHSA-N	405.816	5.138	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc(Cl)ccc3Br)n2)c1	501130111	WPFYWPJOEVQPJO-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](C)c1ccc(F)cc1F	507577519	JDPAFBNPYMTLDF-AWEZNQCLSA-N	407.420	5.465	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccc(Cl)s1	508953562	UYXSMPPERNGIFQ-HKUYNNGSSA-N	414.962	5.061	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1	509198905	ZYJRDUKXEXJCNU-ZDUSSCGKSA-N	404.333	5.224	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cnc([C@H]3CCCO3)s2)cc1	510419789	AKPURIAMTOZLTG-JOCHJYFZSA-N	407.514	5.208	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(Br)c1)c1nc(-c2ccncc2)cs1	511901867	JZHOQLDYMSIJIA-GFCCVEGCSA-N	418.703	5.111	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1	512530475	KAVKJHXOSXQFKQ-UHFFFAOYSA-N	417.852	5.746	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc21	513238917	RUSBJBZBGVBDON-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1nc(C)c(C)s1	516837788	JDAWAXACKSUGLK-OAHLLOKOSA-N	406.511	5.171	30	20	HKED	
CC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(C)cs1	517116061	YYNACZPJMITLNE-OAQYLSRUSA-N	420.538	5.369	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSCc2csc(-c3ncccn3)n2)cc1	517297758	MDCBGPGLINDFDK-UHFFFAOYSA-N	400.532	5.572	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1	517522352	PZHTWCPTGLMIEE-HNNXBMFYSA-N	420.538	5.504	30	20	HKED	
CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccccc1SC[C@H](C)C#N	518683597	YQFOOBWFKQNLIE-MRXNPFEDSA-N	413.543	5.010	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1	519013427	CFKNZGQTRPRIJR-DEOSSOPVSA-N	422.475	5.461	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2c(Br)cccc2[nH]1	520826265	JIKSGIPUIAOJKA-GFCCVEGCSA-N	414.328	5.434	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2	520954078	UHEUNBBWOUGFBX-FJSNCCPHSA-N	413.496	5.482	30	20	HKED	
Cc1csc(CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	521180386	YPGLBICVSZLXAR-UHFFFAOYSA-N	405.523	5.063	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccccc3Br)c2)cc1	521527090	BAGPRYRYKGXTSH-UHFFFAOYSA-N	422.282	5.164	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)CSCc1ccc(C#N)cc1	522681687	IVIWAVXTVRVVTN-UHFFFAOYSA-N	402.519	5.318	30	20	HKED	
Cc1cc(Cl)ccc1Oc1ccc(CS(=O)(=O)Cc2cccc(C#N)c2)cc1	523922745	PPHSJXRCVNKAIL-UHFFFAOYSA-N	411.910	5.427	30	20	HKED	
C[C@@H](Sc1ccccc1C#N)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	525083344	MYXNTNVQJXSJON-LLVKDONJSA-N	401.463	5.079	30	20	HKED	
CC(C)=CCOc1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1	525657195	LZSLQDJROGEGGX-UHFFFAOYSA-N	402.416	5.108	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1C	534733632	HSNONUXFEAQYBN-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C1CC1	535529697	PDUMNWPLCSNNTI-KRWDZBQOSA-N	414.509	5.434	30	20	HKED	
Cc1cc(Br)cc(Cl)c1C(=O)Nc1cccc(OCCCC#N)c1	537572843	OWLWKWBIIUOTDP-UHFFFAOYSA-N	407.695	5.346	30	20	HKED	
Cc1cccc(C)c1OC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1	540424190	IHWIOYRJPVAFNN-HSZRJFAPSA-N	424.504	5.135	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)ccc1Cl	540853875	CHOVVJBLBYABOG-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
CC(C)C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccs1	541625854	OFIYGGOCQHYXLF-AEFFLSMTSA-N	401.601	5.458	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)ccc1Cl	543456744	YWMMUTUUEUMXPR-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
Cc1ccccc1Sc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1	548840791	AKIYZALPKYQJDU-UHFFFAOYSA-N	413.546	5.239	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1)C2	548965631	FQEDULBUBCUNKT-RJGXRXQPSA-N	422.960	5.142	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	554843089	GKTSOXMGEHMHSA-UHFFFAOYSA-N	412.799	5.310	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)N(Cc1ccccc1)c1ccccc1C#N	564061088	NAHUZQMILIDBDJ-FQEVSTJZSA-N	405.501	5.518	30	20	HKED	
CCc1cccc(Oc2cc(-c3noc(C[C@H](CC#N)c4ccccc4)n3)ccn2)c1	564498877	ROCAIDJKQOPOQA-FQEVSTJZSA-N	410.477	5.726	30	20	HKED	
Cn1ncc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1-c1ccccc1	574662558	WSSZTHJPUHBVRL-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
Cc1sc2nc([C@@H](C)Nc3ccc(Oc4ccnc(C#N)c4)cc3)nc(O)c2c1C	574949093	HLJNVFPBCSATNE-CYBMUJFWSA-N	417.494	5.246	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)c(F)c1	575065201	ADPKEMXIOMQWQI-UHFFFAOYSA-N	423.488	5.094	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1	580101546	XEMSZSDZXPWYSO-OAQYLSRUSA-N	413.443	5.426	30	20	HKED	
Cc1ccccc1Cc1nnc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1	580245929	IUGFJWFGZQXMSN-LJQANCHMSA-N	408.505	5.358	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1	582233972	LPJNSQTYLVIWKJ-QGZVFWFLSA-N	414.474	5.079	30	20	HKED	
C=CCOc1ccccc1CNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	599813302	KOOIXMMGAKWKMK-UHFFFAOYSA-N	420.456	5.129	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cncc(Br)c3)c2C#N)C1	602286494	CRKAKFDNGNSTIO-LBPRGKRZSA-N	418.360	5.181	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)N(C)Cc2ccc(C#N)cc2)cc1	603649429	IHDGYDRMZPOGHC-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
C=CCCCCCN(C)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1	606817285	WPTFBTGGOLAHNJ-UHFFFAOYSA-N	421.335	5.143	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)cc1	607806485	AZIKKWINAQSWNE-INIZCTEOSA-N	416.443	5.262	30	20	HKED	
CCOc1ccccc1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609065086	VSALJYXRUDBUBL-UHFFFAOYSA-N	400.478	5.107	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1)c1ccccc1	609109427	MLQUQBKLKGTPHR-KBMIEXCESA-N	410.521	5.339	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCOc2ccccc21	609422386	OMCIBEYHFZHNTF-LJQANCHMSA-N	413.477	5.347	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2S[C@H](C)CC#N)s1	609427795	MEMRBPJFJNRMIY-CYBMUJFWSA-N	413.593	5.756	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1	609438538	JRTSXPWXYAHGRN-QMHWCDLVSA-N	423.582	5.712	30	20	HKED	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1	609712443	QDLAADKTWLWHMX-LJAQVGFWSA-N	413.543	5.060	30	20	HKED	
COc1cc(C)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1OC	609723377	LSGLNDBJUHLIGS-UHFFFAOYSA-N	422.868	5.582	30	20	HKED	
Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	609810747	BHRIXWWNUSWJIB-SIKLNZKXSA-N	407.583	6.396	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC2CCOCC2)cc1	609932728	DWOFOHUIHHASCQ-UHFFFAOYSA-N	421.541	5.054	30	20	HKED	
CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	610053649	PORGGUOYRSKVGU-JOCHJYFZSA-N	416.525	5.280	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccccc3OCC3CC3)cn2)c1	610142141	XUOKLZZVUVTGIK-UHFFFAOYSA-N	400.438	5.178	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(F)cc1OCC(F)F	611358060	ZGZMCDXXTQIFIQ-GFCCVEGCSA-N	409.433	5.365	30	20	HKED	
CSc1cccc([C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)c2ccc(F)c(F)c2)c1	612375543	YEPPPSNWLYRVMO-UNMCSNQZSA-N	415.509	5.111	30	20	HKED	
C=CCn1c(SCc2nc3cc(Cl)ccc3n2C)nnc1-c1ccc(F)cc1	613936316	GFUQTAUKIZMTEO-UHFFFAOYSA-N	413.909	5.103	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	614250655	PNKOPSFPYCBQQS-BDJLRTHQSA-N	415.337	5.241	30	20	HKED	
CC(C)c1c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cnn1-c1ccccc1Cl	616886165	WGSIUBLSSUHUOE-HNNXBMFYSA-N	407.905	5.403	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1cccc(C)c1	617940816	NXJGQQMANYAXQF-INIZCTEOSA-N	424.595	5.281	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618539128	HEHQMTHJDYHDGM-AOOOYVTPSA-N	408.264	5.300	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1	618742185	KVBWWEMFYFUCLG-HSZRJFAPSA-N	401.897	5.241	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)NCc1ccc(C#N)c(Cl)c1	619768808	UIPIHOBFFVMPQM-MRXNPFEDSA-N	409.942	5.746	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	622548158	SEBBIOHDGSWCEX-LLVKDONJSA-N	407.276	5.527	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)nc1C(F)(F)F	669986458	DPWBGSVTYDGPPI-UHFFFAOYSA-N	405.829	5.044	30	20	HKED	
N#C[C@@H](C(=O)c1occc1Br)c1nc2cc(C(F)(F)F)ccc2s1	674407720	BOTKRCWQZIWMSZ-QMMMGPOBSA-N	415.190	5.161	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccccc2Oc2ncccc2C#N)cc1Cl	726463068	NGWBNZWCNXUPQE-UHFFFAOYSA-N	405.870	5.080	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)no1	728119251	MAAZBEDHTZNTRG-HSZRJFAPSA-N	416.481	5.111	30	20	HKED	
C#Cc1cccc(N(C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)C(C)C)c1	728246752	WXYFWQCGFZOCBY-UHFFFAOYSA-N	413.477	5.643	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(OC(F)F)cc1	728438058	NEPACWWJBTUCNU-DAXSKMNVSA-N	401.390	5.036	30	20	HKED	
COc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1O	729563684	SHKOUNIBHHXRJM-UHFFFAOYSA-N	423.856	5.040	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1	729877833	QGGYOGUITFMBAK-LOSJGSFVSA-N	411.505	5.338	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)c1nc2cc(F)ccc2s1	730422068	SSSKDTGWCIAARQ-ZDUSSCGKSA-N	421.266	5.146	30	20	HKED	
C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N	730955210	UVICBJDWVQHQFR-OCCSQVGLSA-N	401.523	5.576	30	20	HKED	
CCc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)s1	731149392	YMHHQEJZKUCRFF-UHFFFAOYSA-N	413.955	5.593	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cccc(Cl)c2Cl)nc(-c2cccnc2)n1	733080529	ZMVFPQJGUAKBEK-UHFFFAOYSA-N	412.202	5.310	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1	733807013	PTSHZNXKEPWLQZ-ZCYQVOJMSA-N	413.521	5.151	30	20	HKED	
C=CC[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)c1ccncc1	734555348	PROKHKXILVGWFB-XMMPIXPASA-N	407.517	5.581	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	735592701	CTZDBXJWIVWBPW-QAPCUYQASA-N	408.910	5.596	30	20	HKED	
CCN(CC)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1F	739413063	KNCWNUIFBLAGGT-UHFFFAOYSA-N	417.941	5.091	30	20	HKED	
O=C(/C=C\c1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)C2CCCC2)cc1	741448392	XPCWCGSZUSATSX-PFONDFGASA-N	423.559	5.423	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C(C)C)nn(C)c1Cl	741550737	WQRIBLMKRPUSNQ-UHFFFAOYSA-N	408.889	5.422	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCO1	743093820	YFSGICRDZOMPKE-RPBOFIJWSA-N	411.505	5.256	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1NC(=O)OC(C)(C)C	744017045	XXLONYOQLSYVTK-HNNXBMFYSA-N	407.495	5.442	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	744037579	AHFFGBLJYGLLHW-IVZHQMGZSA-N	412.436	5.395	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCSc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	744037657	BIZYLCHPJSNWLO-KGLIPLIRSA-N	418.465	5.771	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744062737	KAUBCGFRWVCWSE-DDKJEQMHSA-N	413.424	5.504	30	20	HKED	
Cc1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c(C)c1	745723691	FGCAUSQJMLPZLI-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	746129007	WNFFGVHTXHGOGR-OAHLLOKOSA-N	419.790	5.563	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	747112154	RIAZJWPGUCPLBM-ZDUSSCGKSA-N	423.510	5.025	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Br)s2)ccc1OCC(F)(F)F	750900120	MAJICSOTZOFJOK-RQOWECAXSA-N	421.234	5.356	30	20	HKED	
COc1cc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)ccc1OCC#N	750915540	GZCCJGYBIKZAPC-XNTDXEJSSA-N	401.434	5.125	30	20	HKED	
COc1cccc(/C(C)=C/C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	751835956	XCVAPXUPDFMGNF-LRFDDAOPSA-N	410.445	5.377	30	20	HKED	
CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccccc1C#N	752819518	MACBTLFGSGXNGZ-UHFFFAOYSA-N	415.543	5.737	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	757303730	GAWSLXSSYMYLFN-IBGZPJMESA-N	418.909	5.068	30	20	HKED	
Fc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c2ncccc2c1	760232678	JQCPCBFXSDMRAW-UHFFFAOYSA-N	418.284	5.110	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Br)nc1	766696426	QZJZQRLEVCDNBV-UHFFFAOYSA-N	410.296	5.119	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)c1	768763513	OUDKILOPEPHUJB-QHCPKHFHSA-N	405.457	5.171	30	20	HKED	
CC(C)n1c([C@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)nc2ccccc21	769411947	LLDWOKNKGRNSLS-QFIPXVFZSA-N	415.585	5.347	30	20	HKED	
COc1ccccc1[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl	776164660	VSJOCECULKVMGO-MZNJEOGPSA-N	406.913	5.691	30	20	HKED	
C/C(=C/c1ccc(C)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	779196325	BDRDUBCENJBJQB-DEQJRXDXSA-N	400.450	5.061	30	20	HKED	
O=C1CCc2cc(N=Cc3cc(Cl)cc(Cl)c3O)ccc2N1CC(F)(F)F	780150862	YWODYOHNEILNNB-UHFFFAOYSA-N	417.214	5.291	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1	780678190	SGUKTYCDUOOSJR-AOMKIAJQSA-N	405.885	5.542	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCc2nnc(-c3ccco3)o2)c1	783704493	VRZHURRXXZZSIP-UHFFFAOYSA-N	421.796	5.004	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1cccc(CC(C)C)c1	796788617	KFLNEEPZWUYURO-WZONZLPQSA-N	404.554	5.461	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NCC(=O)N(CCC#N)c1cccc(Cl)c1	800879257	DHMKNVAPCGFHNG-UHFFFAOYSA-N	422.891	5.208	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1	806200281	CFNNYTFQECUARI-FPCALVHFSA-N	421.544	6.142	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1SC(F)(F)F	806219234	MCWKODMTMGWCJK-UHFFFAOYSA-N	412.481	5.686	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(C)nc4C)c23)cc1	814761474	NMWIHSTZBISCFA-UHFFFAOYSA-N	403.511	5.215	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccccc2SCC(F)(F)F)c1	864001606	QTSTUCZWHKPDFI-UHFFFAOYSA-N	401.251	5.587	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1	915087780	XNQBTRVPSNWQTG-AREMUKBSSA-N	418.496	6.027	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1Cc1ccccc1	915644837	VITONQYCPXIPNK-XMMPIXPASA-N	406.489	5.148	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cl	916057107	LGWBKXCNILQLTG-FQEVSTJZSA-N	414.848	5.354	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)ccc1OCc1ccccc1	916838220	BMXDPGGJFGGXNM-LJQANCHMSA-N	402.494	5.027	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3	916901125	ZBYQEHWZXKDMDT-NRFANRHFSA-N	413.521	5.133	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(-c3nccs3)c2C)cc1	916953477	CLWKXAXHGNFIDI-XOBRGWDASA-N	420.538	5.025	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cccc(N2CCOC2=O)c1	918540822	CTDHUWDDVWRQJG-UHFFFAOYSA-N	423.538	5.033	30	20	HKED	
CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)c1cc2ccccc2o1	919904468	ODECRGNGFFXFGF-NTKDMRAZSA-N	423.516	6.703	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(F)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	920805935	HJXYKEDYLMRBGV-NSHDSACASA-N	422.815	5.136	30	20	HKED	
COc1ccc2oc(C)c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1	920806733	OVXLHXXFUFNVKC-CQSZACIVSA-N	424.428	5.642	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4cc(C)cs4)cc3)CCC2)C1	1786861315	UBONQFZQNMDYAX-UHFFFAOYSA-N	408.567	5.089	30	20	HKED	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1	1790707923	VNUAYYLZXKAJGB-UHFFFAOYSA-N	423.516	5.123	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccncc1	6907791	NWAAWBZBKBNFKQ-IAGOWNOFSA-N	421.570	5.159	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	12016960	GDIDWSXGPGXTSJ-UHFFFAOYSA-N	422.897	5.203	30	20	HKED	
C=CCn1c(=S)sc2c(=O)n(Cc3sc4ccccc4c3Cl)cnc21	25066197	KOCCNZYVFZWASX-UHFFFAOYSA-N	405.957	5.091	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1-c1ccc(F)cc1	25611938	SGQJOQSXADZYRW-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1/C(O)=N/c1nnc(C(F)(F)F)s1	29291608	ICCRGPQMXXQQJD-UHFFFAOYSA-N	404.826	5.279	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1	48099379	UQYYIZYSCVQHGD-UHFFFAOYSA-N	418.541	5.019	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1	56711574	RPEAGDZQAJVIDZ-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	72030820	ARBHYHNLMMNCDW-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
CC(C)(C)C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1	110894156	LECXRYVYMRXOOS-QFIPXVFZSA-N	405.542	5.007	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2SCCC#N)cc1	206778806	FVEJTWKRSUWWKU-PDGQHHTCSA-N	416.333	5.692	30	20	HKED	
CSc1nnc(CCCNc2c(C#N)cnc3c(C)cc(F)cc23)n1C1CCCC1	301494585	ACFTTWDIXDCOKY-UHFFFAOYSA-N	424.549	5.027	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	303760542	CLULDUSLCYRMMZ-KRWDZBQOSA-N	418.518	5.787	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C#N)cc3Cl)c12	430361494	ZPJGUEHBZIEKOX-UHFFFAOYSA-N	406.829	5.384	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1	432735700	NVSLNTLUNAKMDQ-UHFFFAOYSA-N	402.292	5.255	30	20	HKED	
COc1ccc2oc([C@H](C)NC3CCC(Oc4ncccc4C#N)CC3)c(C)c2c1	437094392	VNGRAKQNQBGGHP-IVMQYODDSA-N	405.498	5.057	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c(C(F)(F)F)c1	439379543	AVLWTXRCOYDYML-GOSISDBHSA-N	405.420	5.659	30	20	HKED	
COCc1nc(CNc2ccc(Br)cc2C#N)c(-c2ccccc2)s1	440659108	KIIWGSBNZXIPSH-UHFFFAOYSA-N	414.328	5.203	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc12	442667769	AHPGCUQZGVUMIZ-LBPRGKRZSA-N	414.943	5.511	30	20	HKED	
CSc1cccc([C@H](NC(=O)Cc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1	464134792	POXLNUCDBQKCTF-QHCPKHFHSA-N	408.473	5.007	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@H](C#N)C(C)(C)C)c3cnn(C(C)C)c3n2)c(C)s1	464706899	BJYVZQWWIGCZIP-IBGZPJMESA-N	409.559	5.026	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1	464933393	GVRSSKQCTQALLS-QUCCMNQESA-N	407.926	5.375	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)C3CCC(c4ccccc4)CC3)ccc21	469946079	AJWLZDMZYOFBMD-UHFFFAOYSA-N	415.537	5.182	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC(=C)C)Cc2ccccc2)cc1	471249818	MLTWKSSKSGOKAZ-UHFFFAOYSA-N	403.526	5.111	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Nc1cccc(OCCCC#N)c1	471860363	DRZPECFTDRFUFW-GOSISDBHSA-N	403.486	5.127	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1)c1ccc(F)c(F)c1	472189464	MIGSKVHMDJTIKP-PKTZIBPZSA-N	407.464	5.374	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3cccs3)C2)cc1	473178326	ZZAXHSFENIRKFH-HXUWFJFHSA-N	420.559	5.126	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1SCc1ccc(C#N)cc1	473396439	QXKPCLHMPLOBPO-KDOFPFPSSA-N	404.457	5.263	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccccc1	477707315	YQWDVWISQJZDAY-INIZCTEOSA-N	415.440	5.855	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3cccs3)C3CC3)cc2F)c1	481598112	OKUYQFFBLPEIBS-JOCHJYFZSA-N	421.497	5.611	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	481709740	FYNYHSWBQUIFEK-INIZCTEOSA-N	419.456	5.168	30	20	HKED	
Cc1cc([C@@H]2CN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CCO2)ccc1F	482930934	LLOQFDRICYRESG-UZLBHIALSA-N	413.518	5.134	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C	483851412	CHCOKWBBTJBALH-MRXNPFEDSA-N	403.486	5.779	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@H](CCCC#N)c1ccccc1	487218321	KJXDZTAWLSDOMO-OXQOHEQNSA-N	423.969	5.920	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccccc1	487346289	ORPJJUYUTPRAFB-LJQANCHMSA-N	412.415	5.056	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)Cc3ccc(Cl)c(Cl)c3)s2)cc1	487444139	LILYGNCXHZJWTQ-UHFFFAOYSA-N	402.306	5.094	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(NC(=O)NCC)ccc1C	490305096	CUDVBHDWLBNREO-UHFFFAOYSA-N	406.939	5.071	30	20	HKED	
COc1cc(C#N)ccc1CSc1nnc(-c2ccoc2C)n1Cc1ccccc1	499316999	BGTREWAXBROYIK-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
N#C[C@@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc2cc(Cl)ccc2s1	499570518	AIYIKJNDIYQMLX-HNNXBMFYSA-N	423.950	5.681	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)COc3ccccc3Cl)c2)cc1	501451549	RIMYOKKRQIMWAK-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
CCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCSc2ccc(Br)cc21	504650598	QFFRFWCYFUIULE-GOSISDBHSA-N	415.356	5.214	30	20	HKED	
FC(F)(F)c1csc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)n1	505890714	SKIWJJBGRSOAEV-NSHDSACASA-N	408.289	5.574	30	20	HKED	
CC1(C#N)CCN(C(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)CC1	507840094	FXACLDDVDLSTPT-UHFFFAOYSA-N	402.325	5.432	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(Br)cc1F	511076117	LJRHUGKRYOKLNU-UHFFFAOYSA-N	408.246	5.041	30	20	HKED	
COc1ccc([C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C2CC2)cc1	513117733	FNQMONBJNFCLGY-RUZDIDTESA-N	412.489	5.027	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	513333977	SCPROECFVQODDW-KKSFZXQISA-N	402.523	5.221	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2CN(CCC#N)Cc2ccccn2)cc1	513723836	BAJPISIOJWENFQ-UHFFFAOYSA-N	421.548	5.218	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3C(F)(F)F)c2C#N)C1	514607481	ASHJGXNZPWJVRL-GFCCVEGCSA-N	406.473	6.042	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1[N+](=O)[O-])c1nc(C23CC4CC(CC(C4)C2)C3)cs1	515542756	BQPHYWVQWICEOW-LEJIWSMMSA-N	407.495	5.009	30	20	HKED	
C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H]1c1nc2ccccc2s1	517783962	DHKZBMJWWQHOQQ-SFHVURJKSA-N	405.527	5.292	30	20	HKED	
C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1c(F)cccc1F	519795757	YBQILRRDVHECAQ-SGXKBVARSA-N	424.495	5.185	30	20	HKED	
C=CCOc1cccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1	520959555	RMQJZOVXSMBTJL-XMMPIXPASA-N	401.485	5.271	30	20	HKED	
COc1ccccc1CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC1	521607244	OVPWPAGSHBJAJW-UHFFFAOYSA-N	416.452	5.303	30	20	HKED	
CN(CCc1ccc(F)cc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523946361	AJBHIROGUUKXBM-UHFFFAOYSA-N	408.860	5.458	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N[C@H](CC(F)(F)F)c3ccccc3)o2)cc1	524382650	NNZKLKTYGIKPQU-LJQANCHMSA-N	414.383	5.154	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1	524822969	VOFDEAFUIFWRRT-GJZGRUSLSA-N	410.798	5.045	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2ccncc2)cc1	525346934	JRRPCOMXTNGYQP-KRWDZBQOSA-N	402.523	5.322	30	20	HKED	
COc1ccccc1[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccco1	532675672	WCPKWSGDEBQDRB-HHHXNRCGSA-N	424.500	5.618	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)c(F)c1	536916912	SBDNTYWXRYFIKH-NRFANRHFSA-N	423.419	5.138	30	20	HKED	
O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1	537623550	HROSZTDLDNDNQW-UHFFFAOYSA-N	419.340	5.357	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(-c3ccccc3C#N)cc1)CCC2	538109041	BBVIGQDMBSMPTB-JOCHJYFZSA-N	416.550	5.209	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc12	539242522	CDRLBIRZWXGGPA-QZTJIDSGSA-N	403.551	5.381	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccnc1)Cc1ccco1	540128228	TYWUBYJLMJRYHD-KRWDZBQOSA-N	406.511	5.161	30	20	HKED	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N	540854330	QIOPLXGHSCJXAQ-UHFFFAOYSA-N	413.477	5.050	30	20	HKED	
C[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1	542017594	VCPNGGDNQZCBOU-OAQYLSRUSA-N	423.560	5.702	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	557727516	GQYHCUBYYNABKI-QGZVFWFLSA-N	420.538	5.028	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2csc3ccccc23)cc1	559326216	FFOZDNMPDPSWIP-UHFFFAOYSA-N	414.555	5.995	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(Oc3cccnc3)cc2)c1	561846252	MZGIQZUMOGRINU-FQEVSTJZSA-N	414.509	5.238	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3cccc(-c4ccccn4)c3)cc2)ccn1	562104696	FCXPCUVRWKIMCA-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)C[C@@H](C)O	562193583	MEFIWEHVCHHRBU-LJQANCHMSA-N	415.493	5.074	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3Cc3cccc(F)c3)cc2)ccn1	573887048	VAWIIJWYICJRMY-NRFANRHFSA-N	416.456	5.124	30	20	HKED	
CC[C@@H](c1ccc(Br)cc1)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1	580859584	VAIBKADSVCGIPB-MJGOQNOKSA-N	421.298	5.096	30	20	HKED	
COc1cc(CN2C[C@H](C)C[C@H]2c2cccnc2)ccc1OCc1cccc(C#N)c1	588204729	BQCFOBCWXAFGHF-DVECYGJZSA-N	413.521	5.124	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1	588348644	UKWLWNVKHUKKSK-OAHLLOKOSA-N	422.893	5.920	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1	588934152	GXAHTEQMUDMBAK-DLBZAZTESA-N	406.835	5.723	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1	599254699	WYNHUFOJXKLRSY-UHFFFAOYSA-N	404.535	5.395	30	20	HKED	
C=CCN(C(=O)Cc1ccc(C)c(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603459366	RLUADUADRXDJRU-UHFFFAOYSA-N	407.495	5.097	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCOc4ccccc4C3)cc2Cl)cc1	604089855	OFLSPCDXGAXNFK-UHFFFAOYSA-N	419.868	5.430	30	20	HKED	
CCSc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1	609031253	CLJYGGIHHYPXGF-UHFFFAOYSA-N	405.498	5.047	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1	609062847	IKMROQNFXXIFLY-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
CCOc1ccc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	609065110	XDLHIZJIWZPPDG-UHFFFAOYSA-N	418.518	5.267	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CCOc2ccccc2-c2ccccc2)c1	609066611	NLDISWJXICIBCQ-UHFFFAOYSA-N	408.404	5.234	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc2ccccc21	609163147	CPPDNAXBFJBVSG-UHFFFAOYSA-N	418.472	5.075	30	20	HKED	
COc1cccc(NC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	609929701	JSEWZLROWBECAU-QGZVFWFLSA-N	424.570	5.198	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	609984696	XLYKKJXRSVSCOE-NRFANRHFSA-N	401.466	5.405	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Cl	611093929	OVOOEYYYQQZUBH-CZAYHTPWSA-N	421.928	5.075	30	20	HKED	
O=C(CCCOc1cccc(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	617008434	LXWJKSCSPHVBJY-RYUDHWBXSA-N	415.349	5.010	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]	619658782	MNWHPENAMKTHMB-IBGZPJMESA-N	415.474	5.035	30	20	HKED	
CCC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(F)cc1F	675204034	ZBGFRERVFCMOKF-BZPMIXESSA-N	418.328	5.188	30	20	HKED	
O=C(Cc1ccc(Cl)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	684121355	MTNKPVOZAHTJFI-UWVGGRQHSA-N	405.741	5.047	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)c1	726444599	IUUYNCJRNWFJDZ-UHFFFAOYSA-N	415.562	5.146	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12	726883813	LMJSTYBCXLGUQZ-UHFFFAOYSA-N	408.461	5.232	30	20	HKED	
Cc1ccccc1COc1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccncc2)cc1	727781923	ZSAKPYCQIRQENC-FMIVXFBMSA-N	409.489	5.266	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1sc(N2CCCC2)nc1Cl	728164144	PNKAWTBARQVLQR-UHFFFAOYSA-N	422.941	5.115	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1	728695381	VLYZGXPSDJMUMW-OXFRDRNISA-N	409.335	5.076	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1	728913503	AACLYUCQDQHRGV-KBXCAEBGSA-N	409.942	5.352	30	20	HKED	
N#C[C@H](NC(=O)/C=C\c1ccc2ccccc2n1)c1ccc(OCc2ccccc2)cc1	729370800	WXAIDDJNQFQGEP-SMGRMTIRSA-N	419.484	5.208	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSC1=Nc2ccccc2CS1	730952741	UGJQORFAESPCMG-CQSZACIVSA-N	413.593	5.687	30	20	HKED	
Cc1cc2oc(=O)cc(CNc3ccccc3SC[C@@H](C)C#N)c2cc1C(C)C	731028733	OSHWIGRMSUFBJM-INIZCTEOSA-N	406.551	6.089	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	731136938	WPUVHKDYKOKRBP-YOEHRIQHSA-N	414.452	6.002	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC[C@@H]1c1ccc(F)c(F)c1	733033220	KYKHGIBLLONPHM-MRXNPFEDSA-N	420.328	5.988	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1OC	733767774	KISMPTRATDMNGA-ZSOIEALJSA-N	402.450	5.099	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccncc1	734655183	KTLWCAAKAQGIQC-UPVQGACJSA-N	417.578	5.728	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl)c1ccncc1	734668562	DSPIHYMIXHLPDN-DHIUTWEWSA-N	423.919	5.889	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	739153438	BYTFNDZCIRSCLK-MGPUTAFESA-N	424.422	5.385	30	20	HKED	
CC(C)c1ccc([C@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	739160597	ULDHCZKWCMIJDJ-VGSWGCGISA-N	413.546	6.175	30	20	HKED	
CC(=O)Nc1ccc(/C=C\C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc1	743055732	KIRDSCPHIOTLQB-YHYXMXQVSA-N	414.292	5.342	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Cl)c1	744024979	FSHWIANURSPVOC-BZNIZROVSA-N	408.857	5.106	30	20	HKED	
Cc1ccc(N(CC(=O)Nc2ccccc2SCC#N)Cc2ccco2)cc1C	744394933	NEGRALCCBQCJAP-UHFFFAOYSA-N	405.523	5.157	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c[nH]c2c1	745949779	XNMPZPBMFVYNPU-FQEVSTJZSA-N	410.502	5.281	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccccc1F	746388944	JXKUVMVFSWJYPP-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)ccc1OC	749390531	PPOAUVGSEBUWIU-KNQAVFIVSA-N	414.933	5.086	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3ccc(F)cc3C2=O)cs1	749748831	QANRWDZJRGRJAQ-GIJQJNRQSA-N	414.845	5.236	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)c1	752313876	HOTBSLLCEHAEKO-UYAOXDASSA-N	404.432	5.196	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1	752484229	GFYYNWMZXOKFJB-DNQXCXABSA-N	415.468	5.166	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Cc3cccc(Cl)c3)n2)cc1	756529410	OZWQVRMZNMHORN-IFXJQAMLSA-N	410.926	5.527	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	759037385	XBNSRPMLYTXRLV-IRXDYDNUSA-N	417.575	5.057	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2sccc2c1	761311435	KRLBDNBQOCWAPM-CQSZACIVSA-N	410.520	5.091	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	767433134	QHCVXGFMCVANPQ-KRWDZBQOSA-N	412.873	5.442	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)c(F)c1	772797875	QKJSXKUYLCEVNZ-CXUHLZMHSA-N	407.857	5.812	30	20	HKED	
Cc1cc(-c2cc(C(=O)O[C@@H](C)C(C)(C)C#N)c3cnn(C(C)C)c3n2)c(C)s1	777339578	YJRRXHYDPKIBIC-HNNXBMFYSA-N	410.543	5.453	30	20	HKED	
CN(C)[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1c(F)cccc1Cl	778606527	GRSQFJAMVYLBMQ-PIGZYNQJSA-N	422.312	5.221	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(Oc2ncccn2)cc1C	782734491	ZAHRIUORSRUWAP-UHFFFAOYSA-N	404.470	5.119	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(OCc2cscn2)c1	782753017	OBDGKMWWYGNWFJ-UHFFFAOYSA-N	409.511	5.264	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	783070806	XENGLCDHUZYTMC-FZMZJTMJSA-N	423.341	5.094	30	20	HKED	
CCCCCCCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1	785626248	VHSDGFYVGGYJFS-KRWDZBQOSA-N	420.351	5.523	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2cc(Cl)c(N)c(Cl)c2)c(-c2ccccc2)n1	788352813	DBUCUKWSEMUUNH-BQYQJAHWSA-N	411.292	5.249	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1	789889866	OOJVSKPZGKLKGN-UHFFFAOYSA-N	414.590	5.904	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1	790293481	LMZREJXGAOJRSL-UHFFFAOYSA-N	421.378	5.063	30	20	HKED	
Cc1cc(C(=O)/C=C/c2ccc(Oc3cnccn3)cc2)sc1Br	794734126	YKXWDNVGHUASLW-QPJJXVBHSA-N	401.285	5.297	30	20	HKED	
CC(C)(CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)C1CCCCC1	796627412	AUDASQHGAFLSAC-MRXNPFEDSA-N	411.571	5.449	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)on1	797568619	UJNSDMSDUYXJDC-MRXNPFEDSA-N	411.552	5.519	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](C)CC(=O)Nc1ccccc1	799904450	HGIYPWLYOIDQQU-OAHLLOKOSA-N	414.962	5.038	30	20	HKED	
N#CC1(CCCOC(=O)CCSc2ccnc3cc(Cl)ccc23)CCOCC1	800180044	ZPWOKNQNVLZIMA-UHFFFAOYSA-N	418.946	5.014	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cccc(NC(=O)OC(C)(C)C)c1	801666868	ZYUUPUIHLLXLPM-UHFFFAOYSA-N	423.900	5.230	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C/c2ccc(-c3ccncc3)cc2F)C(=O)c2ccccc21	802707007	CNVDJCJBYSDCSN-DUBROFONSA-N	401.437	5.204	30	20	HKED	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813217897	QEDUVXJVBYCCSL-CZUORRHYSA-N	414.349	5.564	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccccc3Br)no2)c2ccccc21	904964897	SUNCHSKTRCSPQP-UHFFFAOYSA-N	407.271	5.425	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cn2)cc1	916073547	APCOQQGZRCHNRF-UHFFFAOYSA-N	419.531	5.476	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(F)c(F)c1	916272856	LLPCNBJSWKURQC-UHFFFAOYSA-N	415.852	5.247	30	20	HKED	
N#C[C@H](C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)c1nc2ccccc2o1	917509874	GNFHESKTCVFTQF-QRRJMBGHSA-N	416.839	6.037	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC	917561322	ARXMMIODJPZDMP-FLIBITNWSA-N	422.506	5.049	30	20	HKED	
CCCCOc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC	917644828	MSMWRYNBRZNGGU-DEDYPNTBSA-N	424.547	5.152	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCn3ccc4ccccc43)n2)cc1	920138904	LPNZJSUMULPSNV-LJQANCHMSA-N	401.491	5.040	30	20	HKED	
Cc1cc2occ(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2cc1C	920141675	LMXHWBMDAMBLGE-FQEVSTJZSA-N	411.486	5.464	30	20	HKED	
Cc1cc(F)ccc1N(CCCn1c(O)nc2ccccc21)Cc1cccc(C#N)c1	1167853413	ZWWAHPQSUYUAJE-UHFFFAOYSA-N	414.484	5.158	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1	1788982958	BIOARNMHQNTIND-UHFFFAOYSA-N	420.509	5.202	30	20	HKED	
N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCCC4)CCC3)cc2)c1Cl	1790081779	MIAMCZOETZHECS-UHFFFAOYSA-N	421.928	5.150	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832403841	BMPRPCWRIBUTKF-ATIYNZHBSA-N	414.634	5.345	30	20	HKED	
C=CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1OC	6147767	LMGRYYCBGURMER-UHFFFAOYSA-N	423.582	5.017	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1	6456355	CRLNVJCZDIPMFI-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
C=C(C)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CCCCC1	8645485	NFHRQJHTZXXRKK-UHFFFAOYSA-N	403.548	5.144	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cccc(C)c1C	10168265	GQFCQIVUDCBSSC-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c(C)c1	10399575	LAJIZTWICZYIPY-AWEZNQCLSA-N	407.461	5.325	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2sc3cccc(F)c3c2C)c(C#N)c1C	20000890	QKBHOTKBFQLASZ-UHFFFAOYSA-N	402.472	5.019	30	20	HKED	
O/C(=N\c1nnc(-c2ccccc2)s1)c1ccc(-c2ccc3c(c2)OCCO3)s1	28280481	YGESJDXWWUZDFJ-UHFFFAOYSA-N	421.503	5.341	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OC(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	41549099	IZMXHUYQJKVKGM-GFCCVEGCSA-N	412.339	5.407	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(C)Cc1cccc(C#N)c1	45246300	ICBXRCCBPHCNPU-UHFFFAOYSA-N	405.501	5.283	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)[C@H](C)c1ccc(C#N)cc1	45500770	MRLKYGBTBQKSMD-MRXNPFEDSA-N	407.901	5.409	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)C2CC2)c1	56469790	OCDOSJLXXRKUQE-UHFFFAOYSA-N	411.461	5.260	30	20	HKED	
C=CCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1	60364740	NPPWUIBJCNJMEI-INIZCTEOSA-N	421.360	5.051	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)c(C)c1	64101694	NZPDGQIOUWQCEV-GOSISDBHSA-N	415.543	6.041	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OC(F)F)c1)c1nc(-c2c(F)cccc2F)cs1	64714897	BVRGZVSVGWDAJD-LBPRGKRZSA-N	406.360	5.180	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1cccc(Cl)c1Cl	78718936	MVOMJDMKPQYYHP-DZKIICNBSA-N	424.125	5.240	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	426079219	MFFCLJVPIFVJST-UHFFFAOYSA-N	420.856	5.545	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@H](c1ccccc1)C(F)(F)F	433119326	UUHBGPWEBXQWBG-NVXWUHKLSA-N	421.488	5.796	30	20	HKED	
C/C(=C\c1ccc(-c2ccccc2Br)s1)c1nc(=O)c(C#N)c(C)[nH]1	435337074	UAIUQRBLFSUNJK-PKNBQFBNSA-N	412.312	5.002	30	20	HKED	
CCN(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)[C@@H](C)c1ccc(C#N)cc1	436431036	KEZMBHZOFLVMDY-HNNXBMFYSA-N	407.420	5.247	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1	438044689	NFFVFPTTZCCRKR-KBXCAEBGSA-N	403.935	5.101	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1	444269209	PGDGIJBBPCEQFR-UHFFFAOYSA-N	409.489	5.873	30	20	HKED	
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1c(F)cc(C#N)cc1F	445959969	APSVXAFOLYYRIR-SNVBAGLBSA-N	421.234	5.201	30	20	HKED	
COc1cccc([C@H](C)CCCC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1	447509891	GUPIEAKLKMRCRY-QGZVFWFLSA-N	416.525	5.282	30	20	HKED	
CO[C@@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1	460319980	QPMHLQRCVAABPP-QFIPXVFZSA-N	406.869	5.121	30	20	HKED	
C[C@@H](NC(=O)CCc1cncc2ccccc12)c1ccc(-c2cccc(C#N)c2)cc1	462622001	TUSVHCGNFAGMOD-LJQANCHMSA-N	405.501	5.583	30	20	HKED	
CC(C)c1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c2cnn(C(C)C)c2n1	464934466	JMVYUYVJLLKLBU-REWPJTCUSA-N	415.541	5.048	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ncccc1OCCCC#N	466600527	XEHJIXMVGBGXSD-SFHVURJKSA-N	420.538	5.621	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(-c4ccccc4)ns3)c2)c1	468028470	ZWAUSQYTQPLEKM-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	468973299	OZZJNLAHLFAJCP-MRXNPFEDSA-N	413.443	5.797	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccn(C4CCCCC4)n3)c2)c1	470820654	MLUJNMUPALZMSN-UHFFFAOYSA-N	400.482	5.091	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccs4)C3)cc2)c1	473823176	QTMFSVIUJVYIOU-HXUWFJFHSA-N	405.479	5.017	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cc(OC)ccc1OC)C1CC1	475556812	TYPHMXBWIVNWBT-UHFFFAOYSA-N	408.542	5.752	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	475560491	USSWHXGQPDBKNO-QGZVFWFLSA-N	405.567	6.545	30	20	HKED	
CC1(c2cccc(Cl)c2)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	475620443	DZYOYJGHXDSFFL-UHFFFAOYSA-N	419.960	5.066	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(-c2cccc3cccnc23)c1C	476123540	PLMWAFVLKLJGKM-UHFFFAOYSA-N	411.509	5.228	30	20	HKED	
CSc1nc(O)c(C(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)cc1C#N	476715382	VBTKSZAPDDOAFE-IBGZPJMESA-N	423.563	5.085	30	20	HKED	
CCOc1ccc(-c2nc(NC(=O)CSc3ccc(C#N)cc3)sc2C)cc1	482132900	LSMCCTVLQCSQRL-UHFFFAOYSA-N	409.536	5.120	30	20	HKED	
N#Cc1c(NC(=O)c2cc3sc(N4CCCC4)nc3s2)sc2c1CCCC2	483079208	YTEVTMRHTMWKER-UHFFFAOYSA-N	414.581	5.022	30	20	HKED	
C=C(C)[C@H](NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	483293026	CCGQVVHANZPAEB-AWEZNQCLSA-N	419.419	5.292	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSC(C)(C)c2ccccc2)n(Cc2ccco2)c1C	485489056	IJJYQGUYHCPGAI-UHFFFAOYSA-N	407.539	5.225	30	20	HKED	
COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	486014358	HTOPEIIUHAPJGD-QFIPXVFZSA-N	412.489	5.206	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](CCCC#N)c1ccccc1	487422965	YEJVLAVDGNBEQR-FOIQADDNSA-N	417.322	5.318	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1	487701471	QJCLQEFEJKKYSK-UHFFFAOYSA-N	421.522	5.105	30	20	HKED	
COC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C	487769264	GIAWPBBQBBAHCV-UHFFFAOYSA-N	416.502	5.198	30	20	HKED	
N#C[C@@H](Sc1nnc(COc2ccccc2)n1Cc1ccco1)C1CCCCC1	489659274	URVIDTKZSMUYKV-HXUWFJFHSA-N	408.527	5.063	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1	501701841	MPUMQTLVSFTAAC-NRFANRHFSA-N	412.967	5.412	30	20	HKED	
Cc1ccccc1Nc1nc2sc(C(=O)N(CCC#N)Cc3ccco3)cc2s1	502575924	JTBAVPNRZJAIPV-UHFFFAOYSA-N	422.535	5.559	30	20	HKED	
Cc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)cnc1N1CCCC[C@H]1C	502871983	RSDMFMINCWESPB-HXUWFJFHSA-N	414.557	5.158	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)cc2cccnc12	502963567	UJGNNWSRGDXBIU-UHFFFAOYSA-N	411.436	5.385	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccc(Cl)cc1	505825702	KHUKLNAHRRULLH-ZDUSSCGKSA-N	408.335	5.102	30	20	HKED	
C=CCC[C@@H](NC(=O)NC[C@H](C)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	506375532	QLUHURNMMWOAKS-SCLBCKFNSA-N	409.452	5.420	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc(-c2cccc(SCC#N)c2)n1	508644215	BFLLDEFOIJPBDH-IBGZPJMESA-N	413.930	5.564	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCc2ccccc21	510022492	DESKQHCAJUCEOQ-ISKFKSNPSA-N	415.924	6.147	30	20	HKED	
N#CCCCOc1cccc(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1	513762850	TWZVFSRVGBAULH-JOCHJYFZSA-N	402.498	5.146	30	20	HKED	
N#Cc1ccc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)c(F)c1	514760128	OMDRYSISGVKTKG-UHFFFAOYSA-N	406.511	5.223	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)CSc1ccc(C#N)cc1	515169642	PZGGQFAQIVQXAA-UHFFFAOYSA-N	422.531	5.113	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)o1	515552311	PMVZGXXJNHFINQ-UHFFFAOYSA-N	406.869	5.188	30	20	HKED	
C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccccc1Sc1ccccc1C#N	517649091	CIWGWGNOZSUXRW-XMSQKQJNSA-N	414.530	5.312	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccoc4)n3)n2)cc1	518155034	LCZIEVPWMNJSFH-OAHLLOKOSA-N	407.476	5.025	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3Cc4ccccc4C3)cc2Cl)c1	518514334	NLUNTOPSGLDWNT-UHFFFAOYSA-N	403.869	5.338	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	520163339	NEPPSYUPIVFYLA-UHFFFAOYSA-N	416.852	5.153	30	20	HKED	
CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	520339636	CCUFQHATBDYYQG-UHFFFAOYSA-N	423.875	5.590	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)o2)cc1	520533280	JJDWUTRSWCPDQT-HSZRJFAPSA-N	404.441	5.141	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SCCC#N)s2)cc1	520807865	UGRYHTWLMYJNDI-UHFFFAOYSA-N	409.536	5.385	30	20	HKED	
CCCN1Cc2cccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2C1	522388838	JFRZJHPRKZKXSP-UHFFFAOYSA-N	411.505	5.115	30	20	HKED	
CC(C)C[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)N[C@@H](C)c1ccccc1	524257783	BLFRIVMKFFFNIA-WMZHIEFXSA-N	406.574	5.375	30	20	HKED	
CC(=O)c1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	524390584	VABSTTAVGWWXCE-UHFFFAOYSA-N	418.880	5.174	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1	524435815	OLWJPXAKXQCHON-HNNXBMFYSA-N	405.832	5.052	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1	525647165	WZTWNHAERNAGAX-ZIAGYGMSSA-N	419.344	5.249	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccc(F)cc2)CCCC1	533051371	GMGOGPXDENKUNP-QGZVFWFLSA-N	411.546	5.075	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccccc2C#N)cc1)Cc1nc(O)c2ccccc2n1	533354202	VVDXFUSWLHNOLC-UHFFFAOYSA-N	408.505	5.285	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1NC(=O)c1cccs1	536182173	AKUKWLZAOCUSEU-OAHLLOKOSA-N	417.515	5.409	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc12	539242524	CDRLBIRZWXGGPA-ZWKOTPCHSA-N	403.551	5.381	30	20	HKED	
COc1cc(-c2noc(CSc3cccc(Cl)c3C#N)n2)ccc1OC(F)F	543030094	DOPKXCPPJFJHMJ-UHFFFAOYSA-N	423.828	5.164	30	20	HKED	
CCCc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnn1C1CCCC1	543127865	YDALPYGPGPWVNE-KRWDZBQOSA-N	405.329	5.252	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	551038988	WJMIHGSFTCUZCC-QGZVFWFLSA-N	421.328	5.027	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	553320306	ZGXJYDRXBXUNFI-UHFFFAOYSA-N	410.477	5.665	30	20	HKED	
N#CC1CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2Cc2ccccc2)CC1	558928297	QFHCDPRTTGKFBI-UHFFFAOYSA-N	412.324	5.040	30	20	HKED	
N#CCC[C@H](NC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccccc1	560102466	BTWRZMGFUPEUPX-IBGZPJMESA-N	410.930	5.308	30	20	HKED	
N#Cc1ccc(CNc2cccc(NC(=O)C3CCCCC3)c2)c(C(F)(F)F)c1	570488353	XJXYNHBTDIMIOI-UHFFFAOYSA-N	401.432	5.708	30	20	HKED	
CCO[C@@H](c1noc(-c2ccc(CC#N)cc2)n1)c1ccc(F)cc1C(F)(F)F	570760473	HTQKVRGEKFUAFV-QGZVFWFLSA-N	405.351	5.086	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCn2c(cc3ccccc32)C1	576949803	SLWGANVIAOEKGP-KRWDZBQOSA-N	404.539	5.473	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c12	587988735	MERPUHFYKUFGJR-LJQANCHMSA-N	404.429	5.237	30	20	HKED	
N#Cc1ccc(CNCC2(c3ccccc3Cl)CCOCC2)c(C(F)(F)F)c1	589507341	KPLKJGCGZNAZST-UHFFFAOYSA-N	408.851	5.068	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2)cc1	592974597	VAZAPBREISHLBU-IBGZPJMESA-N	413.433	5.589	30	20	HKED	
N#Cc1ccc(CNc2cccc(S(=O)(=O)c3ccccc3)c2)c(C(F)(F)F)c1	600851914	RFLRQRBALVQPHT-UHFFFAOYSA-N	416.424	5.022	30	20	HKED	
CCOc1ccc(OCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	603532273	ADPCCLIXDFIDKO-UHFFFAOYSA-N	418.468	5.017	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1	603670420	LRQIJXNUXDWDDU-AWEZNQCLSA-N	421.324	5.252	30	20	HKED	
N#Cc1c(NC(=O)Cc2ccc(OC(F)F)cc2)sc2c1-c1ccccc1CC2	603991990	KUYASWBETOCQOW-UHFFFAOYSA-N	410.445	5.168	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	608871495	ZLCJPEXBPLRVDX-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
CC(C)CCN1Cc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2C1	609063409	GCGAHNHGDUKTCM-UHFFFAOYSA-N	409.533	5.839	30	20	HKED	
C[C@H](C1CC1)N(C(=O)c1cc2ccccc2n1CC#N)c1cccc(C(F)(F)F)c1	609216196	FERZPTXMEBVXCK-OAHLLOKOSA-N	411.427	5.629	30	20	HKED	
CCN(C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)[C@@H](C)c1ccc(C#N)cc1	609297294	CTTBLEFYCXVSDY-AWEZNQCLSA-N	413.308	5.274	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OC(F)F)c1	609326779	ZGHDMPONGIDALB-UHFFFAOYSA-N	424.422	5.383	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(Cc2ccc(F)cc2)n1	609428534	SCGAJZNLMOMAOQ-AWEZNQCLSA-N	411.527	5.520	30	20	HKED	
Cc1cccnc1[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C	609682138	BASRMYXPEVJTNG-QFIPXVFZSA-N	400.482	5.573	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1Cl	609783670	DJRQGNDVOTYFQN-AVRDEDQJSA-N	416.908	5.890	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](CC(F)(F)F)c1ccc(Br)cc1	612574882	PANDYCQWEZKXFU-RBUKOAKNSA-N	423.276	5.981	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622477958	QQEWVBDPKALEMI-PXAZEXFGSA-N	421.356	5.833	30	20	HKED	
C=CCN(C(=O)CCCn1ccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	623247276	HDUWYOUNQWXZTK-UHFFFAOYSA-N	421.353	5.313	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	642282114	MEXQHMSKNFAFNY-ZDUSSCGKSA-N	412.396	5.195	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCc2sccc2C1	642705159	WBSJQCXTUNXJHK-MRXNPFEDSA-N	412.534	5.148	30	20	HKED	
O=c1c2ccccc2ncn1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727061731	NGEUAHQCCGZJFC-UHFFFAOYSA-N	424.287	5.165	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	728063883	ABXHNDQWSLGNAV-QGZVFWFLSA-N	404.436	5.503	30	20	HKED	
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(O[C@@H](C)C#N)cc3)s2)cc1	728698706	MPCXJUXGEWHEFU-DZBQEORWSA-N	424.913	5.127	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1	730478045	KBDFVUZERJSNHX-NRFANRHFSA-N	410.832	5.140	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	730685989	LDYNNWCIPQAAMD-YESZJQIVSA-N	411.288	5.478	30	20	HKED	
O=C(/C=C\c1nccn1Cc1ccccc1)c1ccc(OC(F)F)cc1OC(F)F	734096934	UHJVRAUROLUKCM-HJWRWDBZSA-N	420.362	5.030	30	20	HKED	
Cc1ccccc1[C@H](C)CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	734963588	JZQRVYHQCXECNE-KNQAVFIVSA-N	412.489	5.629	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2s1	741427830	MFNKHSZMTYRUOL-MELADBBJSA-N	402.397	5.175	30	20	HKED	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C\C(=O)c1c(Cl)nc2sccn12	741844372	OPGKLGIQPKLMEA-XQRVVYSFSA-N	418.856	5.026	30	20	HKED	
Cc1ncsc1/C=C\C(=O)c1sc(-c2ccc(Br)cc2)nc1C	742435359	WIUHZHYWZQAMQG-FPLPWBNLSA-N	405.342	5.542	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	743095459	JJZDLRYEDGQHMC-PKTZIBPZSA-N	419.912	5.505	30	20	HKED	
CCCOc1ccc(C=NO[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC	744443204	IDSWVWJBFYLZSP-AWEZNQCLSA-N	415.877	5.299	30	20	HKED	
CCOC(=O)Nc1ccc2c(CS[C@H](C)c3ccc(C#N)cc3)cc(=O)oc2c1	749184374	FIDPAGLMJALIFV-CQSZACIVSA-N	408.479	5.227	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cnc(-c3cccs3)s2)cc1	751519920	DOYHPGGXXWSSAH-UHFFFAOYSA-N	417.972	5.291	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	754453185	KIEBCGIZEFZPRC-UHFFFAOYSA-N	406.467	5.134	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1sc(-c2ccccc2)nc1C(F)F	761495162	HIJOUONIKBYVHJ-UHFFFAOYSA-N	420.824	5.501	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2s1)c1cccc(C(=O)c2ccccc2)c1	762018889	JEATTXXAJSACHV-UZLBHIALSA-N	410.498	5.507	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)C1	766627342	ZHMYRWNUUKAJAY-MISYRCLQSA-N	411.571	5.537	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ncc(-c3ccccc3)s2)cc1	770572450	INFOBSCGWYUDQB-VAWYXSNFSA-N	401.491	5.019	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(CCOCc4ccccc4)CC3)n2)cc1	770848393	UXIUWOMUINMVPA-NRFANRHFSA-N	416.546	5.682	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	772453932	RJARHGZFDRBBMV-HKUYNNGSSA-N	415.578	5.448	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	775488609	PIMINMICBOEYEW-XPGWFJOJSA-N	401.432	5.537	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(N3CCCCC3)c(F)c2)cn1	792865914	JKZRNFBRHALYOB-FMIVXFBMSA-N	417.484	5.178	30	20	HKED	
COc1cccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1	796755897	HTYQFYSUZACUKU-LJQANCHMSA-N	404.491	5.048	30	20	HKED	
C[C@@H](c1ccccn1)N(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(N(C)C)cc1	796907142	SOICDNBRNSQPPI-RBBKRZOGSA-N	412.537	5.329	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)s1	797568436	RNUJOKXOBCNQOC-IAOKNECISA-N	412.864	5.916	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)OCCCC1(C#N)CCOCC1	800142345	TWNVOYOKCWOIGP-ZDUSSCGKSA-N	402.343	5.118	30	20	HKED	
CCC(CC)(C(=O)OCCCC1(C#N)CCOCC1)c1ccc(Cl)c(Cl)c1	800162538	XPOGATUNYFSPGB-UHFFFAOYSA-N	412.357	5.695	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cc(C)cc(Cl)n2)cc1	800533157	IQHOLKXXPLVCSP-UHFFFAOYSA-N	422.872	5.038	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CSc2nc3ccccc3s2)ccc1Cl	800995172	IFLRQZQRASZQOW-UHFFFAOYSA-N	401.944	5.297	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1	801755524	QUQKJLFWBKEPLP-FQEVSTJZSA-N	421.541	5.170	30	20	HKED	
C[C@H](N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1cccc(C#N)c1	810257880	PGRVATLNWKHROJ-KKSFZXQISA-N	421.541	5.858	30	20	HKED	
C=CCCCCCCCNC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1	811927315	KILSQPSJZUYCLH-UHFFFAOYSA-N	410.480	5.235	30	20	HKED	
Cc1sc2ncn(N=Cc3cccc(Cl)c3Cl)c(=O)c2c1-c1ccccc1	916283804	UDMSZDUTKFIJQO-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1NC(=O)c1ccccc1	916564662	UMCVGFDFEYYDSA-UHFFFAOYSA-N	410.926	5.482	30	20	HKED	
Cc1cc(/C=C/C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c(C)n1C1CCCCC1	916843443	HRACDPSEGXRCPV-QZMUEMGWSA-N	400.526	5.387	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(C(C)(C)C)cc1	916903232	LUHNWWZGYGMAOX-FOYQMUPJSA-N	402.538	5.470	30	20	HKED	
COc1ccc(-c2nn(-c3ccccc3)cc2CNc2cccc(OCC#N)c2)cc1	917819558	UTWPXHXYHNPWCY-UHFFFAOYSA-N	410.477	5.062	30	20	HKED	
C[C@@H]1CCN(C(=O)c2ccccc2OCC#N)c2cc(C(F)(F)F)ccc2S1	920003993	ZLQJCYFBEAEUPJ-CYBMUJFWSA-N	406.429	5.139	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(OC(F)F)cc3)cs2)cc1	920065567	XGHAYRKBWSZUDR-WCIBSUBMSA-N	417.433	5.228	30	20	HKED	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@H](C#N)c5nc6ccccc6o5)(C4)C2)C3)cc1	920113070	QSLCPICQKKBOGK-GBVTXRSHSA-N	410.517	5.851	30	20	HKED	
CC(C)Oc1cccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1	921257353	XMEASPKJFKZDNS-UHFFFAOYSA-N	407.326	5.210	30	20	HKED	
CSc1ccccc1CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1	1473240940	QICTYMOKFFQZMH-UHFFFAOYSA-N	400.507	5.069	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1	1787886560	HDBSSWGNGAXODR-UHFFFAOYSA-N	422.337	5.106	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824675750	BRXPTBOKVRLTFE-LEWJYISDSA-N	414.615	5.058	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)cc2)cc1	10173340	GNRYMEFYRZFYEK-UHFFFAOYSA-O	423.627	5.964	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)OCc2csc(-c3cccs3)n2)c1C#N	10711946	PJRIAIGPOABXJS-UHFFFAOYSA-N	413.549	5.095	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1cccc(C)c1	15748034	YMMMKWAWEREJHY-UHFFFAOYSA-N	410.593	5.917	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(C)c1	19810526	OPGOJSUHWWOMLD-UHFFFAOYSA-N	420.582	5.468	30	20	HKED	
COc1cccc(-c2nc(CSc3nc4c(c(C)c3C#N)CCC4)cs2)c1OC	22122734	MVWQZOWORYBZED-UHFFFAOYSA-N	423.563	5.183	30	20	HKED	
C=CCn1c(SCC(=O)c2sc3ccccc3c2C)nnc1-c1ccoc1C	24509797	XUMFQFHYTWWVQZ-UHFFFAOYSA-N	409.536	5.531	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccccc2Cl)n1	45404255	TWNPCANNGMXVSE-UHFFFAOYSA-N	409.942	5.316	30	20	HKED	
CCn1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21	64714796	PXRZUAGOJWPPNO-AWEZNQCLSA-N	407.445	5.553	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(N3CCCC3)n2-c2ccccc2Cl)cc1	71801941	LZBSMGQFUJIVIC-GOSISDBHSA-N	423.973	5.056	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1	107779249	RIEDPZWYMIVDTF-UHFFFAOYSA-N	413.955	5.131	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1	107984035	NKMOQKTXFDZJMD-QHCPKHFHSA-N	406.938	5.351	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)[C@H](C)CC#N)cc12	110976300	DUQIFTCNEFQOGW-LLVKDONJSA-N	421.353	5.136	30	20	HKED	
Cn1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1	195651226	FTTCNLIBUYPYFS-QPJJXVBHSA-N	408.266	5.260	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(OCC2CC2)cc1)c1ccc(OCc2ccccc2)cc1	303246578	LWBSVLBXYDMUQS-RUZDIDTESA-N	412.489	5.049	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCOc1cccc(Br)c1	303301814	CUULRJUYLVDENR-AWEZNQCLSA-N	419.344	5.108	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](c2ccccc2)CC1	303425252	ZLNXMALXDOOIBE-CTNGQTDRSA-N	407.583	5.147	30	20	HKED	
COc1cccc(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	304029014	MLXCEJNATIICGM-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cccc(SCC#N)c2)C1	409965250	IAUOBQPZDCLTHE-KUHUBIRLSA-N	404.457	5.544	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2cccc(SCC#N)c2)c(C(F)(F)F)c1	429801262	LPCXODXCTCDXIN-ZDUSSCGKSA-N	424.513	6.464	30	20	HKED	
CCOc1ccc([C@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2)cc1	429871295	LNDDQBFRNUWTGS-HSZRJFAPSA-N	402.519	5.220	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccccc3)s2)cc1	432634384	PULSCTIANYROGH-NRFANRHFSA-N	414.534	5.365	30	20	HKED	
COc1ccc(-c2nc(CN[C@H](CCCC#N)c3ccccc3)cs2)c(OC)c1	433015658	LPULBPOOCKMHTP-OAQYLSRUSA-N	407.539	5.352	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1SCc1ccccc1OC	436385571	ISFPUIPZUCDIPS-VGOFRKELSA-N	412.555	5.090	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(CCC(F)(F)F)c1	441106675	YYWZTBNKEXGZKT-WOJBJXKFSA-N	401.432	5.485	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cc1ncc(-c2ccc(Br)cc2)o1	441275072	DBKDEYIJLHWYJX-UHFFFAOYSA-N	410.315	5.386	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H]3CCC[C@H]3c3ccccc3C(F)(F)F)o2)c1	446001006	GFGUHXLBYUPBAN-HKUYNNGSSA-N	412.415	5.053	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccccc3Sc3ccccc3)CC2)c1	460152158	RYZMUCJGOSEKLI-UHFFFAOYSA-N	414.530	5.393	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1ccccc1N(C)C)c1ccc(-c2cccc(C#N)c2)cc1	460887057	XZCULUMMVRTGAL-IBGZPJMESA-N	412.537	5.194	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3CCC(F)(F)F)c2)cc1	465148122	QHNVDJZCMDQTMJ-UHFFFAOYSA-N	409.411	6.049	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	467033449	BAUBSFGBHBGBPB-UHFFFAOYSA-N	411.383	5.003	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3ccc(Oc4ccc(C#N)cc4)cc3)o2)cc1C	467417442	JXEWHXFDMDXLPY-SFHVURJKSA-N	410.477	6.191	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccccc2)s1	468870200	FTBWWSMYUFUTMZ-SFHVURJKSA-N	415.562	6.171	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H](CC3CC3)c3ccc(Cl)cc3)ccc21	469208980	JBFPUGVXOWBUGB-JOCHJYFZSA-N	407.945	5.876	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(OC(F)(F)F)c1	470591807	UPQYRGVRJUTQFL-CQSZACIVSA-N	423.460	5.501	30	20	HKED	
O=C(Cc1ccc(F)c(F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474267870	UTUZXGJTYOAGPK-OAHLLOKOSA-N	411.292	5.336	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1	475585423	RESSGHZWDKLVPO-HSZRJFAPSA-N	422.569	5.760	30	20	HKED	
N#CC[C@@H](CC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1	477022337	DWWCNOFKCRVWJZ-HNNXBMFYSA-N	406.835	5.552	30	20	HKED	
C=CC1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CC1	477112418	PATYFNQAMTUFSJ-IYMRDKDASA-N	423.441	5.533	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C	480039608	HCUWTEGUGPIQKF-KRWDZBQOSA-N	402.498	5.174	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1coc2cc(F)ccc12	480871977	IKVKIJFRGGLEEF-UHFFFAOYSA-N	422.403	5.778	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c(F)cccc2F)CC1	486495672	FIPWXUVLHSELER-OAHLLOKOSA-N	415.509	5.771	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccccc1	487154779	JQFKJEUZMDSHNW-GGAORHGYSA-N	404.558	5.045	30	20	HKED	
C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3o2)nc2sccc2c1=O	487995555	AIHXMYIPLDFMRF-UHFFFAOYSA-N	423.441	5.096	30	20	HKED	
C=C(C)Cn1c(SCc2ccccc2OCC(F)(F)F)nnc1-c1ccncc1	489447765	LEUMUPCVJSEXOF-UHFFFAOYSA-N	420.460	5.150	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CSCc1coc(-c2ccccc2)n1	494056029	YNBIBURBCUQBNP-UHFFFAOYSA-N	418.971	5.505	30	20	HKED	
Cc1c(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)sc2ccc(C#N)cc12	498152373	ILTWQDQFXQLAAB-UHFFFAOYSA-N	410.458	5.537	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)[C@@H]1CCC[C@@H](C)C1	499310438	GCCNFNSWWVELOS-KQUPGTECSA-N	419.569	5.201	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1	501578316	IHQDZEOCOXLKCZ-SFHVURJKSA-N	419.472	5.126	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2Oc2cccc(F)c2)cc1	502606707	WLTUEBTWYNWPIV-UHFFFAOYSA-N	420.444	5.570	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	505201540	VHPTXCQUXHXJES-UHFFFAOYSA-N	424.740	5.813	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)o2)cc1	507893462	YCDBVTSXDVWFRZ-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2cccc(Cl)c2)no1	508868263	UZJRLHLJOKHEGE-UHFFFAOYSA-N	423.929	5.051	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc(-c2ccc(C)cc2)no1	508875571	WHYWWVBJQYOJOD-UHFFFAOYSA-N	402.523	5.311	30	20	HKED	
Cc1sc2nc(CSc3nc(-c4ccccc4)ccc3C#N)nc(O)c2c1C	510218449	RCJUCYMGFBSCMU-UHFFFAOYSA-N	404.520	5.240	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1	511667492	PBDDKDMKXMVKLZ-PUYPPJJSSA-N	423.319	5.278	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	512324910	VZYRVOAVXPTFMA-UHFFFAOYSA-N	416.468	5.586	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(F)c(F)c(F)c2F)cc1	512325809	XYNBCXKJCCRWLN-UHFFFAOYSA-N	416.349	5.096	30	20	HKED	
COc1cc(F)c([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	512559655	MLDITVOMHNSDBX-KGLIPLIRSA-N	417.506	5.120	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)sc1-c1ccc(F)cc1	512958737	NIGVZBCLCYONPC-QGZVFWFLSA-N	419.506	5.871	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2c(F)cccc2F)n1	517460853	AYOITWAMYFGIPN-GFCCVEGCSA-N	415.490	5.592	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)[nH]c(C)c1C(C)=O	517800924	QDGQNBZFVQKWRZ-GOSISDBHSA-N	421.522	5.100	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1OC1CCCC1	518168873	MVQRLJSOIRWCEJ-QGZVFWFLSA-N	409.555	5.581	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(CC(F)(F)F)CC3)cc2)cc1	521918694	JRJAFDDJHDTPQO-UHFFFAOYSA-N	402.416	5.350	30	20	HKED	
C[C@@H](c1ccco1)N(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CC1	522640014	OZICHXJVYJVZHK-HNNXBMFYSA-N	406.869	5.963	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CSc2ccccc21	522785315	OXNZXRBZERAVAB-JOCHJYFZSA-N	415.518	5.414	30	20	HKED	
CCOc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	523190994	MPMGGSJWHUABMT-UHFFFAOYSA-N	417.484	5.008	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(Cc3ccc(O)cc3)Cc3ccco3)c2)cc1	523869577	MBZMGBJIPNYZLB-UHFFFAOYSA-N	424.456	5.492	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1	524436870	OHKWZYGPNZICAD-GOSISDBHSA-N	417.412	5.271	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc(F)cc2F)CC1	534886114	BMUAULBLRBYHLS-CQSZACIVSA-N	401.482	5.070	30	20	HKED	
N#CCCCOc1cccc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1	538739541	WDHAZAYVKGSYCS-NRFANRHFSA-N	405.325	5.249	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(NCc4ccccc4)c(Cl)c3)cc2)CC1	539677263	UHBPLIKYAOVKBY-UHFFFAOYSA-N	401.897	5.760	30	20	HKED	
CCc1nc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cs1	541819083	JJNZTUXVJAPYDU-UHFFFAOYSA-N	408.474	5.255	30	20	HKED	
C[C@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543942950	LCOBWJZBJWPFBS-IBGZPJMESA-N	417.553	5.419	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc2c(c1)CCCC2	544896807	KQFLNTMYUAAQCE-ROUUACIJSA-N	407.583	5.106	30	20	HKED	
CO[C@H](CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	549570606	BAPVZSBRJHEORI-QFBILLFUSA-N	400.569	5.140	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CC(C)C)c1	549846689	AQGUENFMIRRVLI-UHFFFAOYSA-N	409.578	5.075	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(F)(F)F	554763461	ZKIVJGAPMDDBCC-KVSKMBFKSA-N	417.431	5.320	30	20	HKED	
CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2ccc(COCC(F)(F)F)cc2)no1	554792506	SSXZGOZCUXVFNS-UHFFFAOYSA-N	419.378	5.152	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1-c1ccc(Cn3ccnc3)cc1)CC2	554996809	DNDJSGSBQFXYED-MHZLTWQESA-N	404.517	5.247	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](COC)C1	558981745	KHKIHHYWKFTIIL-UXHICEINSA-N	420.557	5.010	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1	569281778	JFBPRSZWAWUCKY-SNVBAGLBSA-N	414.836	5.358	30	20	HKED	
CC(C)c1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(-c2ccccc2)n1	570090255	JNBYQRHSBHEWSZ-JTHBVZDNSA-N	413.525	5.299	30	20	HKED	
CO[C@@H]1CCOc2c(NCc3cccc(OCc4ccccc4C#N)c3)cccc21	571985528	PGEVMTLZMSLSPA-XMMPIXPASA-N	400.478	5.219	30	20	HKED	
N#Cc1c(F)cc(CNC(=O)c2ccccc2SCc2cccs2)cc1F	574350896	MSDAHWOBLSZFQA-UHFFFAOYSA-N	400.475	5.120	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	580206393	CZRAOFTVOXJMLM-ISKFKSNPSA-N	414.484	5.500	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1	580495572	BREVCABRVFABEH-DHIUTWEWSA-N	412.493	5.097	30	20	HKED	
N#CCCn1cc(C(=O)CSc2nnc(CCC3CCCCC3)o2)c2ccccc21	589278024	RIRLRTICXVKCNQ-UHFFFAOYSA-N	422.554	5.426	30	20	HKED	
Cc1occc1-c1nnc(S[C@H](C#N)Cc2ccccc2)n1Cc1ccccc1	604015387	WBHHKBRJEVRZMP-FQEVSTJZSA-N	400.507	5.122	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1cccc(OC2CCCC2)c1	609016430	AJLZGZOZESFDIG-UHFFFAOYSA-N	408.498	5.064	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1C#N	609032532	MKNPHDACVLGOGH-UHFFFAOYSA-N	420.469	5.394	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2Cl)c1	609075963	WVHKYNDLKFHJDH-UHFFFAOYSA-N	413.811	5.713	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1[nH]c2ccccc2c1Br	609382645	LBUQCUBVJMUOAH-LBPRGKRZSA-N	414.328	5.434	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N(C)C	609398253	NGFOYKAVUKFGKC-BEFAXECRSA-N	416.978	5.016	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1cccc(Cl)c1Cl	609414360	JYKJRVNZXYNFJT-CQSZACIVSA-N	406.269	5.251	30	20	HKED	
C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609451416	HCJDTACINZNCIB-MRXNPFEDSA-N	419.456	5.207	30	20	HKED	
C[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccc(C#N)c1	610345182	XDZIXUZLNJZOOD-HNNXBMFYSA-N	407.857	5.763	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cc1Cl	611048193	UEYTZSLECPQFNY-JTHBVZDNSA-N	419.887	6.113	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(c3cccnc3)CC2)c1	611256028	FTGYKIBQHIAFLA-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
N#CCCCOc1cccc(N[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)c1	611521544	RFJVVMHJBMSNOY-RTWAWAEBSA-N	415.331	5.464	30	20	HKED	
CCN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@@H](C)c1cccc(C(F)(F)F)c1	618847996	SFKJWLTYHFWOLX-VBKZILBWSA-N	401.432	5.357	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](c2cccs2)C2CC2)cc1OC	642972742	JTCCORIQYSZKLT-GOSISDBHSA-N	408.361	5.325	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1	674042923	FVZNCMFVFTULFQ-NRFANRHFSA-N	405.482	5.748	30	20	HKED	
C=C[C@H](CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1	677512619	MOZUPDVQJIREAU-OAHLLOKOSA-N	409.327	5.175	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(OCc2ccccc2F)CC1	682777337	KRIZMNBYYUGJQY-UHFFFAOYSA-N	410.533	5.891	30	20	HKED	
O=C(O)C(=O)/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2n1	728157527	YPXMIKVIFINKAF-LCYFTJDESA-N	405.759	5.101	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c1	733843868	BXQCMQLPUXKSHR-AWEZNQCLSA-N	408.285	5.005	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCOc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	735592637	CGMHMTUUCJUKBU-WFASDCNBSA-N	416.424	5.448	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(Cl)cc1	735976489	MNAJECQPYVZMMF-UHFFFAOYSA-N	405.811	5.437	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	739141732	BDXCYDAGDZBZSH-KBXCAEBGSA-N	419.550	5.208	30	20	HKED	
C=CCCOCC(=O)O[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	739300844	INFHQFRVEYTQLV-CYBMUJFWSA-N	410.333	5.078	30	20	HKED	
CCN(CC)c1ccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	740002543	RBVOAHDFCXSHIC-ZIAGYGMSSA-N	414.409	5.671	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C(C)C)nn(C)c1Cl	741553867	CXRHZRGDELROKR-UHFFFAOYSA-N	422.916	5.208	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(-c2cscn2)c1	744032103	CGGNCTLTHOPILN-INIZCTEOSA-N	416.289	5.078	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(COC(=O)Cc2ccc(C#N)cc2)n1)c1ccccc1	744290537	CQSPRXDLEDUNKL-INIZCTEOSA-N	406.869	5.033	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2c2cccc(C)c2C)c1	745820625	LOFAIRBJJNDGCE-URXFXBBRSA-N	405.542	5.421	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1ncc(-c2ccc(Br)cc2)o1	754279254	LLBUJINTIUTBGD-UHFFFAOYSA-N	423.213	5.256	30	20	HKED	
Cc1cccnc1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	760185170	YRYNMKQIVXSHSL-LQYUOIDQSA-N	414.317	5.710	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc3c(s2)CCCC3)cs1	764431858	GZRHWEQNISWSSE-XFXZXTDPSA-N	422.575	5.973	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	764749182	ASFVVXKVIGYHBU-RNFRBKRXSA-N	410.223	5.069	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Br)cc1	766621990	CBZLPZYEICJMKS-IFXJQAMLSA-N	421.294	5.053	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	767202661	MNZUVWVBEGPRIR-UHFFFAOYSA-N	406.791	5.032	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1	772951016	NIMYBAAEMAEVNA-IBGZPJMESA-N	412.961	5.295	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c1	772983413	KDZHRLKSGXVWJG-HRAATJIYSA-N	408.933	5.366	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1	773096412	VOGYTRYBZJNADR-IERDGZPVSA-N	418.459	6.020	30	20	HKED	
C[C@@H](NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccc(OCC#N)cc1	776158934	GMXRXOMKBWHIDF-GFCCVEGCSA-N	415.868	5.099	30	20	HKED	
C#CCCCCCC(=O)N(c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1	779958419	COXUYMJWEKOGDZ-UHFFFAOYSA-N	416.537	5.142	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	780302644	QDJPWPHRMGYAHU-OAQYLSRUSA-N	407.473	5.473	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	780671518	SBQHNIXQISTBGJ-KBXCAEBGSA-N	403.404	5.365	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1	796031518	BMEBWPGUDBEEJM-UHFFFAOYSA-N	415.440	5.100	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCC[C@@H]([C@H]5CCOC5)C4)c23)cc1	799108587	YHPLSZNAJYYETA-SJORKVTESA-N	422.554	5.362	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)OCCCC1(C#N)CCOCC1	800142344	TWNVOYOKCWOIGP-CYBMUJFWSA-N	402.343	5.118	30	20	HKED	
Brc1cccc(Br)c1NN=C1CCC2(CCCO2)CC1	800819004	ZYQHSOYIMZSRMS-UHFFFAOYSA-N	402.130	5.103	30	20	HKED	
O=C1/C(=C/c2ccc(-c3nc4ccccc4s3)o2)C[C@H](C(=O)O)c2ccccc21	806561768	ZTBPWBJENXUPGQ-HVJHFUJKSA-N	401.443	5.395	30	20	HKED	
CC(C)c1cc(=O)oc2cc(OCC(=O)c3cn(CCC#N)c4ccccc34)ccc12	809195312	BAKYCYUYARQKMR-UHFFFAOYSA-N	414.461	5.046	30	20	HKED	
C#CCN(C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C)C1CCCC1	810206333	JGRYPBQKJLUTDY-UHFFFAOYSA-N	409.917	5.310	30	20	HKED	
FC(F)(F)c1ccc(-c2ccc(C=Nn3c(S)nnc3[C@H]3CCCO3)s2)cc1	818260633	VHTVODKBDFEFJT-CQSZACIVSA-N	424.473	5.048	30	20	HKED	
C=C(C)COc1cc(CNc2cc(C(=O)NC(C)C)ccc2Cl)ccc1OC	863998634	KMLUAJYSKBYJAA-UHFFFAOYSA-N	402.922	5.054	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915084991	CNMPEAKUMSAHNS-QHCPKHFHSA-N	407.473	5.487	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	916932151	QYLZGGFXMFTTAW-UMNHJUIQSA-N	407.219	5.009	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(Cl)c(Cl)[nH]2)cc1	918630796	ZDKQSFYKQWLIEO-UHFFFAOYSA-N	402.256	5.175	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2ccc(C)c(C)c2)c1=S	920486528	IUQDHGHRFJRJAE-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	920804307	OZFXLPIRWMNBGV-OAHLLOKOSA-N	414.502	5.755	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(C)cc3s1)C2	1793052703	MONBZXAXICQHEX-WKCHPHFGSA-N	422.594	5.230	30	20	HKED	
CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)CCCCCC(C)(C)C)CC2)C1	1806065310	FJEGSKPPWCFITG-NRFANRHFSA-N	424.695	5.169	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)[nH]n1	1821918051	FXARQLNLGHUXAQ-HARLFGEKSA-N	422.573	5.054	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1	24618804	JGCMQZFJIVJLEM-UHFFFAOYSA-N	401.441	5.131	30	20	HKED	
CCCCCc1nnc(/N=C(\O)c2sc(Cc3ccc(F)cc3)nc2C)s1	30597425	OPKLYRHKTZSLIV-UHFFFAOYSA-N	404.536	5.402	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C	44401958	KDVUAKKPUJRBCW-VWLOTQADSA-N	408.590	5.058	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccsc3)c2)cc1	47570414	KCHWOPOXCVXNFC-QHCPKHFHSA-N	417.534	5.762	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)c1	64715359	QTMGOTLCWRHMJJ-MRXNPFEDSA-N	420.444	5.073	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1ccc(C(F)(F)F)cn1	147914281	CWHVZYJLYKHUCD-VIFPVBQESA-N	413.833	5.429	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N	301652759	QTGGZBAXQTVPOE-AWEZNQCLSA-N	411.859	5.128	30	20	HKED	
COc1ccc(-c2nc(CSCc3cccc(F)c3C#N)cs2)c(OC)c1	427822480	QWWUAEPWPJMUPC-UHFFFAOYSA-N	400.500	5.271	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1	432676395	GEBHHEAQAPYKBJ-MRXNPFEDSA-N	415.518	5.188	30	20	HKED	
FC(F)(F)C[C@H](NCc1nccn1CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436404025	CGBKTOWZVYEFQO-LBPRGKRZSA-N	419.291	5.248	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1CCC	437475291	PQCQNIJURIINJI-XCLFUZPHSA-N	423.340	5.312	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	437616422	SIJGWZBJLVCRSH-FYYLOGMGSA-N	422.488	5.798	30	20	HKED	
Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438666669	VLNSSCDZLQXOQT-HXUWFJFHSA-N	404.445	5.197	30	20	HKED	
N#Cc1cccc(-c2nnc(CN(Cc3ccccc3F)c3ccccc3F)o2)c1	440315899	QKMGCEVJDNHZCO-UHFFFAOYSA-N	402.404	5.093	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1c(F)cc(C#N)cc1F	446030604	WOWHTAJDGNTZCN-UHFFFAOYSA-N	420.394	5.090	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1	447380377	DNYMGPQYOVJOMS-HXUWFJFHSA-N	403.551	5.264	30	20	HKED	
C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1	460926982	LZWPMFCJDBNNSY-LJQANCHMSA-N	412.921	5.256	30	20	HKED	
Cc1nc(Oc2ccc(Oc3ncc(Br)cn3)cc2)c(Cl)cc1C#N	461936427	QVBONWCCPGNWAP-UHFFFAOYSA-N	417.650	5.052	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(C)cc3)o2)nnc1-c1cccc(C)c1	463040487	CQZQSZJZUXGKKJ-UHFFFAOYSA-N	402.523	5.695	30	20	HKED	
CN(CCOCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	465249048	BZERTMCVDNVNQO-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2OCC2CC2)cc1C	465462697	HNWCXWIJQSHWBH-UHFFFAOYSA-N	414.509	5.122	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(-c2ccncc2)cc1	467777552	RCQQQXAOHIFWTJ-NRFANRHFSA-N	419.528	6.050	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)n1	470107548	LILYLWUAROIKSM-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccccc1-n1cccn1	471493595	QPAFAFNRVYTJGO-OAHLLOKOSA-N	400.935	5.046	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3ccccc3)c3cccc(Cl)c3)o2)cc1	471622986	WEHLUIGNWAUGCR-JOCHJYFZSA-N	400.869	5.141	30	20	HKED	
CCC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	471718719	WXLNAWUJSRLTFH-UHFFFAOYSA-N	402.425	5.121	30	20	HKED	
CCCc1c(NC(=O)c2cc(F)ccc2-c2ccoc2)cnn1-c1cccc(C#N)c1	473201768	UJOJMGUFDCHFFO-UHFFFAOYSA-N	414.440	5.348	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	474442929	APUQQXGYFJLJBU-LLVKDONJSA-N	420.321	6.027	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cc(-c2ncco2)ccc1C	475178924	SKEYKDQUGHASKA-UHFFFAOYSA-N	403.482	5.079	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC=C(c3cccc(Cl)c3)CC2)c1	477346745	GVAUTOKBCCHATF-UHFFFAOYSA-N	418.880	5.313	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(Cl)c1)c1nc(-c2ccccc2)cs1	477882372	UPABSKARAVZPCL-CYBMUJFWSA-N	417.715	5.716	30	20	HKED	
C=CCCCN(C)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1	478088165	RBDWANROWWPUKT-ZDUSSCGKSA-N	408.365	5.241	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c1	479372378	IAZKELKBYRJGLB-JOCHJYFZSA-N	416.452	5.235	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2s1	484673542	RPXDRIMQVMDPCO-UHFFFAOYSA-N	423.881	5.554	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccc(C#N)c(Cl)c1	485392141	ZWTAXPAKGAOMQL-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	489021565	YUWHGAXRBAGPKY-QCDSWUKFSA-N	417.574	5.824	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC1CC(OC(C)(C)C)C1	489302532	GUISEVCLAGJMQJ-UHFFFAOYSA-N	408.517	5.523	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(C)cc1	489677163	UHNMQZGFGYDSMG-UHFFFAOYSA-N	412.946	5.132	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3occc3-c3ccccc3)s2)cc1	491457445	SISWNMHPNGFFAN-UHFFFAOYSA-N	418.503	5.214	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OC4CCCCC4)CC3)cc2)cc1	498006627	LFHXDFHPZLCCOG-UHFFFAOYSA-N	419.525	5.696	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)Cc3cccc(C#N)c3)cc12	498490255	QMHBOYATXMGVTB-UHFFFAOYSA-N	420.925	5.193	30	20	HKED	
CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)c1csc(-c2cccs2)n1	503137331	KOVONKNXKRBBTJ-UHFFFAOYSA-N	411.552	5.470	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2cccc(OCCCC#N)c2)s1	503199542	MMSYQZQSIAAVQC-LJQANCHMSA-N	421.526	5.407	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1C1CC1	504544319	ALXPGDJIYJNXAM-JTQLQIEISA-N	421.410	6.232	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)cc1	504743249	UMEKWKLCSRAXTP-UHFFFAOYSA-N	406.482	5.109	30	20	HKED	
CCN(C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)[C@H](C)c1ccc(C#N)cc1	505340290	SSZHXPILBDZWOD-MRXNPFEDSA-N	404.901	5.200	30	20	HKED	
COc1ccc(C(=O)C2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)cc1	506105693	JIIFJJQVGLJXCU-UHFFFAOYSA-N	410.517	5.329	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1coc(C2CCCC2)n1	509899676	OTJSXDSCJQNCIW-UHFFFAOYSA-N	407.283	5.062	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1OC	510298696	NFOFUJAQEDZECN-HNNXBMFYSA-N	406.507	5.121	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Cl)c(Cl)c1	511728560	ZAMWUSJPPMTHAM-HXUWFJFHSA-N	424.287	5.240	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)nc3C)n2)cc1	512497991	DZPRVENALMVCSB-OAHLLOKOSA-N	417.412	5.031	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1	512887685	ACSHTOZFKSGBCY-OAQYLSRUSA-N	423.476	5.179	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cnc(-c4ccccc4F)s3)cc2)ccn1	514832799	RMFYBELRTIEHLA-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccc1	515539151	MXQLLDDNPMEUDX-MRXNPFEDSA-N	420.925	5.749	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccccc3OC(F)F)c2)cc1	517169098	QXMWWDHCKGKGBY-UHFFFAOYSA-N	409.392	5.003	30	20	HKED	
CC(C)(C)OCc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1	517551436	GSPKFNYPGBJCJX-UHFFFAOYSA-N	414.549	5.742	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1	518553237	JXKBOISKFYLFNI-UHFFFAOYSA-N	409.486	5.174	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(F)cc1	519434395	YXRUNONOLIQRDJ-INIZCTEOSA-N	422.529	5.639	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)o1	520924167	LWPXSXOJMKLQHM-MRXNPFEDSA-N	422.506	5.514	30	20	HKED	
C=CC[C@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	522643271	NUNPMWZHPVLKFQ-SUCHYCSPSA-N	407.495	5.216	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CSCc3ccncc3)cc2Cl)c1	524248878	MTVPXUUJPACFEQ-UHFFFAOYSA-N	423.925	5.058	30	20	HKED	
CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	524519222	GDUJNLSNBGWDFQ-GFCCVEGCSA-N	416.852	5.002	30	20	HKED	
C=CCN(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1nc2c(s1)CCCC2	525007057	MXERKVQASHAXPP-UHFFFAOYSA-N	417.962	5.103	30	20	HKED	
COc1cc([C@H](C)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F	527099873	QGJXMYIRMYTPBM-ZBEGNZNMSA-N	409.345	6.197	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4c([nH]c5ccccc45)C3)c2)cc1	534034668	GBVWGPSYUIUJHB-UHFFFAOYSA-N	408.461	5.422	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)cc1Cl	535609562	HVMMZYIPPPBWII-ICSRJNTNSA-N	422.912	5.368	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl	535850920	WNHOTQSVSISSQM-HNNXBMFYSA-N	407.926	6.049	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1cn(CCC#N)nc1-c1ccccc1	536097922	GLQIYDPJPQNWLF-UHFFFAOYSA-N	415.541	5.369	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccc1I	538526713	WEWIZUJXTAJJCN-CQSZACIVSA-N	406.267	5.147	30	20	HKED	
COc1cc(CN[C@@H](C)c2cccc(F)c2F)ccc1OCc1cccc(C#N)c1	539328743	KGLQMXGVBCWSOE-INIZCTEOSA-N	408.448	5.275	30	20	HKED	
C[C@@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1ccc(-c2cccc(C#N)c2)cc1	541157503	SCYDYWWUJMSVEV-VGSWGCGISA-N	417.534	5.131	30	20	HKED	
Cc1noc(C)c1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542123296	MWTJJTBVMHJFCD-ZDUSSCGKSA-N	420.275	5.722	30	20	HKED	
N#Cc1ccccc1OCc1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1	544861006	SWJYKFGCXWYHBR-UHFFFAOYSA-N	404.813	5.028	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)o2)cc1	558558215	PRMGODTZCSECPA-UHFFFAOYSA-N	424.460	5.280	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2ccccc2)C1	558988525	MQOFKULVZRAYTJ-QFIPXVFZSA-N	420.582	5.033	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2	574182584	YDDZSZPYRAPIIC-VQIMIIECSA-N	423.538	5.221	30	20	HKED	
CO[C@@H](c1noc(-c2cn(CCCC#N)c3ccccc23)n1)c1ccccc1Cl	576312747	IDUHTVOADVRMSC-HXUWFJFHSA-N	406.873	5.384	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(Oc2cccnc2)cc1	579394885	XGCXQEFODLSEHJ-MRXNPFEDSA-N	403.457	5.040	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCC1CC1)c1nc2cc(C(F)(F)F)ccc2s1	587988771	OUHPIWRLLPJFOD-OAHLLOKOSA-N	416.424	5.594	30	20	HKED	
CCn1cc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	588739257	ZPSDNFMXNRVUTR-OAHLLOKOSA-N	414.328	5.193	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3occc3COc3ccccc3)s2)cc1	602229477	RAOGVQMKFLTISD-UHFFFAOYSA-N	415.474	5.030	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccc(C(C)(C)C#N)cc1	603523724	NEHASQRYBDJTSO-UHFFFAOYSA-N	419.528	6.193	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	604476549	RTYKQCBAMQUARQ-CYBMUJFWSA-N	405.357	5.022	30	20	HKED	
CO[C@H](C)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	608882696	KIXJOVBKWXDWMA-QGZVFWFLSA-N	402.519	5.810	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	609055817	SLYIMCIYVUCMMR-HSZRJFAPSA-N	416.477	5.106	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccn1	609080563	ODYNOCQJVQOJTC-OAHLLOKOSA-N	406.873	5.068	30	20	HKED	
CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C	609298273	JTYZQRYXWCNFRX-UHFFFAOYSA-N	417.440	5.317	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1	609428197	CULOOTPXBMMGCO-INIZCTEOSA-N	406.482	6.265	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccnc(Oc3ccccc3)c2)c1	609432821	UYCKKUCHQLFBOP-UHFFFAOYSA-N	421.500	5.614	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCC1	609435124	RCFKSBQYAOBIGW-SFHVURJKSA-N	423.582	5.723	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)s2)c(C)c1	609460398	ISHFMVZAJRJGRF-QGZVFWFLSA-N	415.440	5.440	30	20	HKED	
C[C@H](c1nnc(S[C@@H](C#N)C2CCCCC2)n1-c1ccccc1)N1CCCCC1	609648706	REYYMJCAHPMHCY-NQIIRXRSSA-N	409.603	5.379	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	610053134	OXMVCWLPCMOYDP-JOCHJYFZSA-N	403.457	5.498	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)nc1	610156248	OEFZGPHZWJBGRZ-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C[C@@H](NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(C#N)c1	610357053	FXGXLXQJUPAMFY-WZONZLPQSA-N	408.505	5.232	30	20	HKED	
CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1CCCCO1	610721699	QSZVHNPNIJZWDZ-QHCPKHFHSA-N	423.532	5.004	30	20	HKED	
N#Cc1cccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1F	612539127	SZLJJNMUACARTL-OAHLLOKOSA-N	401.201	5.243	30	20	HKED	
CCCc1c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cnn1-c1ccc(C)cc1	617816816	LSIXMMKFPZKUPY-UHFFFAOYSA-N	413.308	5.564	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccc(C)cc3)n2)nnc1-c1cccnc1	623133227	ZWWQESQTECRADL-UHFFFAOYSA-N	420.567	5.327	30	20	HKED	
C=CCN(C(=O)Cc1coc2cc(OC)ccc12)c1nc(-c2ccccc2)cs1	641900289	DACKZRFYYWZDKO-UHFFFAOYSA-N	404.491	5.327	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1cccc(OCc2ccccn2)c1)c1ccccc1	676416829	VMEPIQGKYTUVNU-XMMPIXPASA-N	401.510	5.167	30	20	HKED	
COC[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1	678766126	FAPUTZIYWDFDGM-YFCNSXCBSA-N	405.329	5.151	30	20	HKED	
CCOc1ccc(C=Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c(O)c1	727973268	XAPWDMBVPPBHEW-UHFFFAOYSA-N	422.447	5.176	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1nc(-c2ccccc2)cs1)C(=O)c1ccccc1	727974413	KKACALWARHTDJR-XSFVSMFZSA-N	411.486	5.110	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1	728768327	AQYUKCZDFLIRPT-CQSZACIVSA-N	400.425	5.381	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)[C@H]2CCSc3ccc(Br)cc32)c1	728798695	YCOIHPBZZCBPNE-KRWDZBQOSA-N	417.397	5.296	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	731288412	URLSJCHRDXWNIR-KMDXXIMOSA-N	410.517	5.416	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1OC	733621342	JUUHFCTVFWJRRI-FQEVSTJZSA-N	417.465	5.012	30	20	HKED	
CC[C@H](NC(=S)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)c1cccs1	734379112	XTKHCKZWFFMWGM-FQEVSTJZSA-N	423.582	6.100	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1ccncc1	734455587	IJZMECJWZKHLSR-QHCPKHFHSA-N	412.468	5.121	30	20	HKED	
N#CCSc1ccccc1C(=O)NCc1ccccc1COc1ccccc1Cl	741717888	XKPVPVMZXVNEAL-UHFFFAOYSA-N	422.937	5.465	30	20	HKED	
COc1ccc(CNc2ccccc2SC[C@H](C)C#N)cc1SC(F)(F)F	742259927	XKMCMJSQBVWKRD-CYBMUJFWSA-N	412.502	6.171	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744075760	WBYCMADOAGZJFZ-UKRRQHHQSA-N	414.452	5.673	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)NCCSc1ccccc1	745707694	PGQQZAZAKPUCKW-UHFFFAOYSA-N	403.576	5.232	30	20	HKED	
CN(C(=O)c1ccccc1NC(=O)N[C@H](CCC#N)c1ccccc1)C1CCCCC1	748569797	MEGNTWGYLNKMRP-JOCHJYFZSA-N	418.541	5.258	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2cccc(C)c2C)cc1	751015323	VBROQNRKCLPZSX-UHFFFAOYSA-N	403.507	5.785	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCC2)n1	751542654	HFXQGJGFFYYIBO-HXUWFJFHSA-N	402.523	5.308	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1C#N	752246643	FZUSZFLHXUURFN-UHFFFAOYSA-N	407.430	5.035	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CNC2(c3nccs3)CCCC2)c1=S	764127594	VMWOMFPLVKPRMV-UHFFFAOYSA-N	411.600	5.049	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@H]2CCCc3ccccc32)c1=S	764868126	FGXOBOMUWIQTLL-NRFANRHFSA-N	405.571	5.019	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)C[C@@H]2c2ccccc2F)c1=S	765042635	ZYXWQQXJPZAIGQ-DYESRHJHSA-N	423.561	5.232	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl	766871320	XALIQBYURVEUPZ-HNNXBMFYSA-N	416.868	5.222	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(Br)cc1F	767735290	BDPBGBAUJRUBSE-DHZHZOJOSA-N	412.258	5.458	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cs1	768754073	BHEKKSJAZBLOJD-POHAHGRESA-N	412.898	5.391	30	20	HKED	
COc1ccc(CN(C(=S)Nc2ccccc2C#N)[C@@H]2CCCC[C@@H]2C)cc1OC	771542426	XTXCFHNORRWWSY-LAUBAEHRSA-N	423.582	5.353	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)ccc1OC	772979050	KFOPDJCBDVGXHW-SOLBZPMBSA-N	409.555	5.268	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl	775227458	PPMPFJIPIODBFC-AWEZNQCLSA-N	401.919	5.114	30	20	HKED	
CC[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc2cc(OC)ccc2c1	777115529	AJCYEHURXCZMTJ-VWLOTQADSA-N	415.537	5.244	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1OCc1ccccc1Cl	780151702	QDYJOLJZMVFIGZ-MRXNPFEDSA-N	406.869	5.462	30	20	HKED	
CCOc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c12	783076892	LIELEVXNDAWVTL-SFHVURJKSA-N	415.518	5.418	30	20	HKED	
C[C@H](OC(=O)CCC(C)(C)C(=O)O[C@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1	783989522	UZXDEPKNYKCDNX-ZWKOTPCHSA-N	418.493	5.145	30	20	HKED	
C#CC[C@H](Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	795331244	GJLFDYIASTWMII-WMLDXEAASA-N	400.309	5.329	30	20	HKED	
N#CC[C@H](CC(=O)OCc1cccc(Br)c1OC(F)F)c1ccccc1	795984431	ZJIYWANRSCLAQG-CQSZACIVSA-N	424.241	5.181	30	20	HKED	
C=CCSc1ccccc1NC(=O)COc1ccc2c(C(C)C)cc(=O)oc2c1	809199286	OZEKHWIJZBIJIP-UHFFFAOYSA-N	409.507	5.212	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc(Cl)sc2[nH]1	810530337	AZUDWQDXWXENBX-SECBINFHSA-N	412.685	5.151	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccn1	810822215	QMPYPECTKRMHPO-UHFFFAOYSA-N	405.866	5.866	30	20	HKED	
COc1ccc(/C=C\c2ccc(OC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)cc1	813315853	VEUVPWHVVQUPGJ-PPUPXGMHSA-N	408.457	5.025	30	20	HKED	
Cc1sc(NC(=O)c2ccccc2SCC#N)nc1-c1c(F)cc(F)cc1F	813439565	BEGPWRKHMLYOGY-UHFFFAOYSA-N	419.453	5.404	30	20	HKED	
COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915351700	BEJHIYLXOHROLO-SBUREZEXSA-N	415.493	5.242	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(F)c2c1C	916903945	UODLOOKLKHVINA-MRXNPFEDSA-N	408.498	5.435	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)c1nc2ccccc2o1	917509840	CEAVBKHGCSRHSH-QGZVFWFLSA-N	419.387	5.663	30	20	HKED	
Cc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	920110501	MPDUSEJGWSFWDM-CQSZACIVSA-N	407.347	5.906	30	20	HKED	
N#C[C@H](COC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)Cc1ccc(F)cc1	920876902	RPKJKOSNCRSVCD-YZGWKJHDSA-N	420.509	5.411	30	20	HKED	
N#Cc1ccc(Oc2ccc(NCc3cc(=O)oc4cc5c(cc34)CCC5)cc2)cc1	921068246	SCOOOYXODSIPHC-UHFFFAOYSA-N	408.457	5.558	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@]3(F)Cl)cc2)CCC1	1791672772	YANYWEIXSWNWLD-HTAPYJJXSA-N	406.929	5.037	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1	1791727516	UGSHACREOCOGDB-UHFFFAOYSA-N	414.505	5.374	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)c3ccccc3)CC2)C1	1804868800	QIHKIBUMOAEEDI-NRFANRHFSA-N	410.602	5.014	30	20	HKED	
O=C(/C(=C(\S)Nc1ccccc1)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1	10170424	VSIOXYOTFSBJMB-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
Cc1nc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2cc(-c3ccccc3)sc2n1	21170223	VFNPVRVPYQGFFJ-PEBXRYMYSA-N	424.595	5.202	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2cccc3ccccc23)c1	22693385	AJIVZGDCUSIUDB-UHFFFAOYSA-O	417.579	5.857	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1	23603281	WTMKCCODBQBLNN-UHFFFAOYSA-O	420.602	5.539	30	20	HKED	
Cc1cc(NCc2ccc(NC(=O)c3ccco3)cc2)n2c(nc3ccccc32)c1C#N	26141468	YADUABSCQONLSW-UHFFFAOYSA-N	421.460	5.125	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1ccc(C(F)(F)F)cn1	41552056	HOHFVWSAIMSZJB-GFCCVEGCSA-N	409.161	5.099	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	42631042	BKHUDSUIVMWJNT-UHFFFAOYSA-N	401.491	5.061	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	48858796	MNESAUOKOOPIHZ-GOSISDBHSA-N	401.466	5.220	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1	210508220	VJZHUCPIBCWIQK-PTNGSMBKSA-N	415.489	5.307	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccccc1F	216103532	ZHSCOLMIXGFHQK-CYBMUJFWSA-N	416.909	5.043	30	20	HKED	
C=CCN(CC=C)C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1	255927534	XAWFPENLFOCFNX-UHFFFAOYSA-N	416.978	5.006	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	261451273	QPBNSSAKOAYYHO-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
Cc1ccc([C@@H](C)NC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)cc1C	302983303	QHSDGOYNUJCIIS-HXUWFJFHSA-N	413.521	5.043	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2cc(Br)ccc2[nH]1	303376063	URUMPAFXJBYNOX-LBPRGKRZSA-N	414.328	5.577	30	20	HKED	
C[C@H](Oc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1)c1ccccc1	409513854	OGCSHQLKODIRHQ-SFHVURJKSA-N	401.466	5.156	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C#N)cc2Cl)nnn1-c1ccc(-c2ccccc2)cc1	430366997	SAOZAYNNQUEBHZ-UHFFFAOYSA-N	413.868	5.020	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)CC2)cc1	432133981	ASSNEZVFVKTOON-UHFFFAOYSA-N	423.488	5.094	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	432767175	GSUPRVPKEWFJMZ-VWLOTQADSA-N	424.504	6.216	30	20	HKED	
CN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cc(Cl)ccc1C#N	436006274	JDPVBHXIIUWQFC-UHFFFAOYSA-N	400.265	5.116	30	20	HKED	
CC[C@H](C#N)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1	436043376	JLKXOTMDGYWXCT-QGZVFWFLSA-N	423.508	5.808	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2cccc(F)c2)s1	436150345	JIUBOTYIEALPQM-RTWAWAEBSA-N	420.513	5.177	30	20	HKED	
Fc1ccc2nc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)oc2c1	444736751	RDWUUGKWCZWNHQ-AWEZNQCLSA-N	406.301	5.769	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c(F)c1	446095890	PJCVFSWVYCDORO-UHFFFAOYSA-N	418.321	5.900	30	20	HKED	
Fc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(C(F)(F)F)c1	446855084	GITLGTDGFWCSSQ-UHFFFAOYSA-N	421.356	5.659	30	20	HKED	
CC(C)c1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	448317894	KSJYGCRAIMIQSO-GFCCVEGCSA-N	422.362	6.187	30	20	HKED	
Cc1sc(NC(=O)[C@H](C)c2cccc(C#N)c2)nc1-c1ccc(OC(F)F)cc1	461798570	OADCRVQSDYQAFK-GFCCVEGCSA-N	413.449	5.334	30	20	HKED	
C[C@@H](SCC(=O)Nc1ccccc1SCC#N)c1ccc(Cl)c(Cl)c1	463193520	PEDUIEYULBLIAK-GFCCVEGCSA-N	411.379	6.042	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc3ccccc23)n1)c1cc(C(F)(F)F)ccn1	464405460	LJCNZBDDGXTLPR-KRWDZBQOSA-N	423.419	5.867	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccccc2-c2ccccc2C#N)cc1	464894105	NOPYFXXMBPDENJ-NVQXNPDNSA-N	410.517	5.431	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	466141757	HTVMZIDYDPTESH-GFCCVEGCSA-N	417.296	5.875	30	20	HKED	
Cc1nc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)sc1C	466966129	FWYXEIFOMWNMMN-SFHVURJKSA-N	410.930	5.391	30	20	HKED	
C=CCN(C(=O)c1cccc2cnccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	467098725	AELGLFAZXQTJTK-UHFFFAOYSA-N	416.462	5.099	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(CC(F)(F)F)cc2)c1	467400576	VWMDUYARVXDWOK-KRWDZBQOSA-N	403.448	5.156	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1	470060762	ZPINCGIJGSKXGS-PKTZIBPZSA-N	415.497	5.161	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1	471057454	QSUYXBNKYRTPCI-GCJKJVERSA-N	411.530	5.733	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)c(F)cc1C	474961341	RFJVKTMHZFSFFZ-UHFFFAOYSA-N	404.283	5.212	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	475897637	INFPSYJGHQBVOG-OFVILXPXSA-N	417.940	5.760	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCn1c(=O)n(CCC)c2ccccc21	476170845	VYYIXONPIHHQMR-UHFFFAOYSA-N	405.542	5.094	30	20	HKED	
CC(C)c1c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cnn1-c1ccccc1Cl	485156973	KIQKRJIHKJVYRI-HNNXBMFYSA-N	407.905	5.403	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(CN(C)Cc2cscn2)c1	485479739	OWQAZBFQWUXWOL-UHFFFAOYSA-N	409.580	5.306	30	20	HKED	
N#CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccccc1	487501402	LVBYMWCIJOPFNS-XUVXKRRUSA-N	402.416	5.240	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC3	491976973	JHTLOGLLJFLSMD-DLBZAZTESA-N	418.566	5.407	30	20	HKED	
CCC[C@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496317071	ZXBBUIQAYARTNV-LBPRGKRZSA-N	410.465	5.277	30	20	HKED	
CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C1CC1	498263378	AXLLAOHYJRYNOB-UHFFFAOYSA-N	416.481	5.095	30	20	HKED	
N#CCCN(Cc1cccnc1)Cc1nc(-c2cc(Cl)ccc2Cl)cs1	505903845	WQTGRJIUXBBRQU-UHFFFAOYSA-N	403.338	5.428	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21	506383247	ALBUJZAXJYOWJS-OXJNMPFZSA-N	423.586	5.592	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC	506699700	VBCHNKJNWHJWFS-HSZRJFAPSA-N	422.550	5.253	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)cc1	506953852	QOXSNWBJVPABAL-HQXWMUDFSA-N	415.537	5.211	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21	508261961	FKGIOYMNDZKMJA-INIZCTEOSA-N	402.317	5.022	30	20	HKED	
N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2s1	513671263	HMDKFVVNTLIZEF-GFCCVEGCSA-N	414.330	5.824	30	20	HKED	
CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)Cc1ccc(OC)cc1	517508474	LSYMOQRNGNZRGR-LJQANCHMSA-N	414.505	5.452	30	20	HKED	
COc1ccc(C2(NC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCC2)cc1	518259419	KUQQQASSONKJBV-QGZVFWFLSA-N	409.555	5.680	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2CN2CCCC2)cc1Cl	519186643	KTSZHCXVKVFDCA-IRLDBZIGSA-N	422.960	5.088	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1c(Cl)cccc1Cl	519450220	WPPSAMOLHIXDGB-ZDUSSCGKSA-N	408.354	5.609	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cccc(F)c1F	520837439	SKTUQMPRRJIEKH-UHFFFAOYSA-N	414.399	5.561	30	20	HKED	
COc1ccc(-c2nc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1	521352607	ALQGTKQFEVPKRY-MRXNPFEDSA-N	418.305	5.120	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1	521680740	FJUFSMSRYFPIBH-UHFFFAOYSA-N	408.889	5.117	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4ccccc4)CCOCC3)cc2)c1	522133464	LVLBEBKRASXJQE-UHFFFAOYSA-N	413.477	5.178	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2nccc(C)n2)c1	524256352	ZUSOVEIHRLTUOA-UHFFFAOYSA-N	413.399	5.288	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1cccc(Br)c1	525647162	WZTWNHAERNAGAX-KBPBESRZSA-N	419.344	5.249	30	20	HKED	
Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CO2	531670383	KDNOLWOKDZKEHP-QHCPKHFHSA-N	413.477	5.009	30	20	HKED	
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	537328657	DRDMHJIKCQMFJG-YJBOKZPZSA-N	408.370	5.264	30	20	HKED	
Cc1cc(CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C2CCCC2)c2ccccc2n1	539674556	IYPMQEPPSGGPCI-UHFFFAOYSA-N	409.533	5.683	30	20	HKED	
N#CC1(CSc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)CC1	540855823	IWFSGMVQYAYWID-UHFFFAOYSA-N	417.376	5.609	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	543648331	SQDFELDXLXLDBG-JTHBVZDNSA-N	405.542	5.695	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1	543944073	ZJFSKNNPONQOTJ-MRXNPFEDSA-N	405.448	5.406	30	20	HKED	
COc1ccccc1NC(=O)C[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543961532	WIPFVRZGLHMVSJ-RBUKOAKNSA-N	413.521	5.302	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4ccoc4)c3)n2)cc1	551101878	XBZGDBWYIFSJQS-FQEVSTJZSA-N	400.459	5.569	30	20	HKED	
COc1cc(C)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C)c1C	557986119	XVMJBNUINGDWMY-UHFFFAOYSA-N	400.478	5.323	30	20	HKED	
CSc1ccccc1[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	558511887	RNLGHURCLPQRLU-HNNXBMFYSA-N	404.495	5.350	30	20	HKED	
C=CCC[C@@H](NCc1cnc(-c2ccncc2)s1)c1ccc(C(F)(F)F)cc1	561566000	KTVRRTOACSLVJG-LJQANCHMSA-N	403.473	6.021	30	20	HKED	
CC[C@@H](c1ccc(Br)cc1)c1noc(C[C@@H](CC#N)c2ccccc2)n1	575367314	SUOFLFXHPZOIFN-MJGOQNOKSA-N	410.315	5.614	30	20	HKED	
CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	580600904	SIEAKINZQPRWIA-UHFFFAOYSA-N	421.403	5.034	30	20	HKED	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	581207930	JJPTYDHHRISIOV-XMSQKQJNSA-N	421.972	5.223	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	582977643	PPTMOYDFSHXPKJ-BFUOFWGJSA-N	403.309	5.317	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)sc1-c1ccc(F)cc1	592973357	DWMLVIIDJXETGI-HNNXBMFYSA-N	410.470	6.102	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)OCc1ccccc1	603618962	CWOHCEDYDDTBJR-IBGZPJMESA-N	402.469	5.144	30	20	HKED	
CSCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)oc2ccccc12	603763804	FLMAPGGHDJMRRJ-UHFFFAOYSA-N	415.474	5.607	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(C)n(C(C)(C)C)n1	603958177	JHQFHFVVMMWPAK-UHFFFAOYSA-N	404.489	5.113	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F	603970483	POGQNSMAAPTFJK-LJQANCHMSA-N	418.472	5.439	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4ccccc4nc3O)cc2Cl)cc1	604193331	HFAHCPPOELOARV-UHFFFAOYSA-N	415.836	5.510	30	20	HKED	
CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604499703	JZPSMZUZTVCELH-UHFFFAOYSA-N	404.445	5.329	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCN2CCCCC2)cc1	608916106	JTBDBUFUUJFPTE-UHFFFAOYSA-N	404.558	5.029	30	20	HKED	
CN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C#N)cc1F	609216593	MGNZCINZAKOQRO-UHFFFAOYSA-N	406.269	5.404	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(Cl)c(Cl)c1	609463540	DJVUEPWGNMJRBT-MRXNPFEDSA-N	423.097	5.232	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)ccc21	609662608	DHXSDYVQZBBHJV-INIZCTEOSA-N	420.822	5.284	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cl)cn2)cc1Cl	611431013	UAEXIMWWACHQRI-IBGZPJMESA-N	411.292	5.366	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674446733	VSKARFBDVKYBPG-ICCXJUOJSA-N	421.303	5.083	30	20	HKED	
CCCc1ccc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1	727844900	SSQFEKVXYHUHJZ-QHCPKHFHSA-N	419.550	5.192	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(O)c(F)c2)cs1	728438786	OGOQDOWEIJXDSA-WEVVVXLNSA-N	416.861	5.222	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3ccc(O[C@H](C)C#N)cc3)s2)cc1	728697406	FQGQOSKKKBHXMC-MRHLJLSQSA-N	404.491	5.314	30	20	HKED	
COc1ccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cc1OCCCC#N	729151113	PBOKZDIYFLUNLI-UVTDQMKNSA-N	402.277	5.507	30	20	HKED	
Cc1cc(COc2ccc(/C=C3/CSc4ccccc4C3=O)cc2)oc1C(=O)O	729937573	WJNNKGDQWKIZMD-WJDWOHSUSA-N	406.459	5.237	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1	730990055	RJGWLXIAMAGPTL-CXDFQFJYSA-N	422.550	6.318	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H]3CCc4ccccc4C3)n2)cc1	732595922	FBTUBZLVNQJXJW-HRAATJIYSA-N	402.519	5.190	30	20	HKED	
COc1ccccc1CC(C)(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	733053153	VMWORLYCHRVTDW-GOSISDBHSA-N	424.953	5.917	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)OCc1ccc(OCC#N)cc1)c1ccccc1	733491355	HOOBIMUUKCUCKL-XMMPIXPASA-N	401.462	5.015	30	20	HKED	
O=C(/C=C/c1nccn1Cc1ccccc1)c1cc2cc(Br)ccc2o1	734095348	NRMNJPVNLWDLOP-VQHVLOKHSA-N	407.267	5.336	30	20	HKED	
COCCOc1ccc(C(=O)/C=C/c2ccc(-c3c(F)cccc3F)o2)cc1OC	734367457	IJVCWDVGWGTCGJ-VQHVLOKHSA-N	414.404	5.155	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCC(c2nc3cc(Cl)ccc3o2)CC1	735308054	BRIVCUJVKJZLKD-UHFFFAOYSA-N	416.308	5.417	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2CCC(c3ccccc3F)CC2)c1=S	736280806	YMBMGIIJMIAFHU-UHFFFAOYSA-N	422.573	5.167	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)c(C)n1-c1ccc(C#N)cc1	740849391	HBMWMTLYLDFLTR-UHFFFAOYSA-N	403.457	5.146	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cccc(Cl)c1SC(F)F	742261157	DHNGOWCCMNMXHK-UHFFFAOYSA-N	413.902	5.321	30	20	HKED	
C#CCOc1ccccc1CNCc1ccc(Oc2ccccc2C(F)(F)F)nc1	742379164	SCLOXTHFKKPTTD-UHFFFAOYSA-N	412.411	5.195	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)n1	747196803	BMLQZTIKHWQBKD-IGDFAFLASA-N	407.377	5.177	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)n1	747196958	RFESXPZCZOQVHO-LLVKDONJSA-N	416.856	5.012	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1OCCCC#N	747362204	RMWAFITVKKPRLY-WMZJFQQLSA-N	400.272	5.036	30	20	HKED	
CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1sccc1C#N	748053784	XOWIBQXWBQHXGC-UHFFFAOYSA-N	416.911	5.431	30	20	HKED	
C[C@H](OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(C#N)cc1	748677039	HDEVMRPMROKRLA-KRWDZBQOSA-N	424.456	5.404	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	752638134	XBOALEXSHORSSX-UODIDJSMSA-N	420.516	5.646	30	20	HKED	
FC(F)(F)c1cc(NN=C2CC(c3cccc(Cl)c3)C2)nc(-c2cccnc2)n1	753932541	QNBCQCGVSRZMBE-UHFFFAOYSA-N	417.822	5.556	30	20	HKED	
CCCC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(Cl)cc1Cl	755727779	TUQQVWDMMZMOBB-UHFFFAOYSA-N	421.332	5.210	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(F)cc1F	756923157	YSOMOKXVYQVODF-UHFFFAOYSA-N	421.403	5.148	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1	760791354	AAJFBRIHTANCRU-NRFANRHFSA-N	410.445	5.339	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)cc2Br)c1	764207233	GKRANQASYHYCAN-CQSZACIVSA-N	422.710	5.105	30	20	HKED	
Cc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1NC(=O)OC(C)(C)C	767968864	DQKRNJNDARSJOF-UHFFFAOYSA-N	417.509	5.143	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)N[C@@H](C)c2ccc(OCC#N)cc2)cc1	776158424	FRNFIBDEOYKRCY-BVZFJXPGSA-N	404.485	5.371	30	20	HKED	
C#CCSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F	776218813	BUYLIJAPIRYMOO-LFIBNONCSA-N	405.281	5.243	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1	780673082	NLPOYNVLUYXZAB-INIZCTEOSA-N	420.900	5.887	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	782775746	OBOOIFKKOQZURV-UHFFFAOYSA-N	409.530	5.521	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc3c(c2)CCO3)c2cc(Cl)ccc2Cl)nc1	783301307	VOJLEIGRTVWPQS-QFIPXVFZSA-N	410.304	5.074	30	20	HKED	
CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	788738387	KIDVIPAGQOMPMI-IQWMQGJTSA-N	417.553	5.002	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1C=NNc1nc(Cl)c(Cl)cc1Cl	794873788	UOBFJSHQMLOPGC-UHFFFAOYSA-N	416.099	5.030	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2cccc(OCC#N)c2)ccc1Br	797615079	PMEFIFFKDBTSGE-LJQANCHMSA-N	414.303	5.029	30	20	HKED	
COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(C2(C#N)CC2)cc1	800215452	IIANFYDTYZABIK-UHFFFAOYSA-N	402.475	5.009	30	20	HKED	
Cc1ccc(CC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c(Cl)n1	808170902	SUPVYMMNHTWYBC-UHFFFAOYSA-N	407.876	5.139	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)c1	808869012	UKCDESBZVHLAAK-ZBFHGGJFSA-N	421.419	5.019	30	20	HKED	
COC1(c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)CCCC1	904834988	DHPCJIBHMPOSKN-UHFFFAOYSA-N	412.305	5.442	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1	915102360	XXFWRIHOISVEJG-RDTXWAMCSA-N	423.519	5.384	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(O)cc1	916134919	XNXGLEYOUOPANB-WCIBSUBMSA-N	412.272	5.847	30	20	HKED	
CCCCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916887872	ROIDFKHEFVCGMU-GOSISDBHSA-N	402.466	5.305	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1	916912818	LXIHLLOZJMYFDY-SFHVURJKSA-N	423.925	5.296	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997535	WANYAPGQGPQQAJ-KRWDZBQOSA-N	415.345	6.316	30	20	HKED	
COc1ccc(CNN=Cc2c(Cl)cccc2OCc2cccc(OC)c2)cc1	917547658	XSFBNXSCKXKMDY-UHFFFAOYSA-N	410.901	5.060	30	20	HKED	
CC[C@@H](OC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(Cl)c(Cl)c1	1435616750	VXRPTANJYKDRCC-GOSISDBHSA-N	407.297	5.210	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)nc3C)cc2)CCC1	1789915599	LIWARSBTWQHOJN-UHFFFAOYSA-N	421.516	5.045	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccccc4C4CC4)cc3)CCC2)C1	1792085897	QJQZODZCVBJDJP-UHFFFAOYSA-N	400.522	5.278	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2C)CC1	1824141432	QVLQKRFTNYFBSU-JOCHJYFZSA-N	414.615	5.058	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](c3ccccc3)C(C)C)CC2)C1	1824234884	BFWJSKINJBELNA-RPBOFIJWSA-N	422.613	5.012	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)cc1	10173238	FZVJOCBSLDCKDR-UHFFFAOYSA-O	418.586	5.016	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)cc1	24724880	HNYICWGENAKMAE-SFHVURJKSA-N	417.559	5.197	30	20	HKED	
CCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccccc1	32290944	RHIYJUNMOHJJOV-UHFFFAOYSA-N	422.488	5.138	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	44518968	GFKUMORMXOHGDV-ZBFHGGJFSA-N	403.404	5.361	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(-c2csc(C)n2)o1	45276647	QKPVVDZAOPMVBZ-UHFFFAOYSA-N	407.948	5.324	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(OC(F)F)cc1	60423879	XHBLREGXFQXHKI-UHFFFAOYSA-N	421.444	5.076	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1coc2ccc3ccccc3c12	62889001	RRHNTBAEMMXILB-UHFFFAOYSA-N	400.434	5.252	30	20	HKED	
COc1ccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1	97466671	CQADCIVGOSPJHX-GOSISDBHSA-N	421.909	5.372	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)OCO2	212580110	PGQNJSDFRQDDRV-NTMALXAHSA-N	405.837	5.217	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(-c2ccncc2)cc1	237597725	DGLWNDCETCVSCP-NRFANRHFSA-N	419.528	6.050	30	20	HKED	
N#CCCn1cc(CNCc2ccccc2OC2CCCC2)c(-c2ccccc2)n1	237831582	VEUXEGQZVGRGAQ-UHFFFAOYSA-N	400.526	5.075	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1OCC	409822494	VPGHAYDAJKURPQ-UHFFFAOYSA-N	405.420	5.420	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1	429081981	UTZLVNRBMUUWOY-KXBFYZLASA-N	405.420	5.033	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)s1	430615520	CBOLYFCBBKZGFF-OAHLLOKOSA-N	408.527	5.101	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC4(CCCCC4)C3)c2)cc1	437742145	FKPKRPFHSLPHCR-UHFFFAOYSA-N	403.526	5.520	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2snc(C)c2C#N)cc1	439292671	INZSAMVDRGEIDG-UHFFFAOYSA-N	416.506	5.051	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCC3CCC(C#N)CC3)cc12	441139276	HVCASAOOERXNCZ-UHFFFAOYSA-N	412.946	5.109	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4csc(C)n4)cc3)n2)cc1	442519179	SBBQOPKYLLUYNP-IBGZPJMESA-N	415.543	6.041	30	20	HKED	
C[C@@H](C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1cccc(C#N)c1	462420211	FMKGKLRRPKINQS-OAHLLOKOSA-N	404.407	5.168	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccccc1	463387665	BIFFYEDYHIVAGU-MISYRCLQSA-N	412.331	5.039	30	20	HKED	
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	469018031	OXLFZJVHHWAQKN-UHFFFAOYSA-N	415.415	5.615	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1	471659943	SVUPUGQCASKQQB-GFCCVEGCSA-N	419.337	6.050	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	473802260	FBSBHUINTPBOKP-UHFFFAOYSA-N	420.900	5.262	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1	475662980	SNLLXGJYFWUHRF-IBGZPJMESA-N	417.431	5.112	30	20	HKED	
Cc1cc(-c2csc(NC(=O)c3cccc(SCC#N)c3)n2)c(F)cc1F	476922886	JSLFQNNBXFFGHD-UHFFFAOYSA-N	401.463	5.265	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)s1	478098671	AHYLWDMCSZOQGI-HNNXBMFYSA-N	422.460	5.662	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2ccccc2Br)o1	479202172	ABGOIQKCLWEKOK-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
C=C(C)[C@@H](NCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccc(F)c(F)c1	479415693	RKLDDTAYIFIBHD-LJQANCHMSA-N	401.375	5.322	30	20	HKED	
Cc1csc([C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C2CC2)n1	479833371	XYQSDIMMWCIKFY-HXUWFJFHSA-N	405.548	5.356	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)c1ccc(F)c(F)c1	480750060	MPNPIUPLKXFZAO-QFIPXVFZSA-N	415.484	5.161	30	20	HKED	
Fc1cccc([C@@H](NCc2nc(-c3c(F)cccc3F)cs2)C(F)(F)F)c1F	481027894	WEPKJACVJWUVBA-QGZVFWFLSA-N	420.353	5.760	30	20	HKED	
CCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481685234	OOZHLAJULIROSO-UHFFFAOYSA-N	409.486	5.392	30	20	HKED	
C=CCn1c(S[C@H](C)Cc2ccc3ccccc3n2)nnc1-c1ccccc1OC	481737532	PCEMYAOADMOBGZ-QGZVFWFLSA-N	416.550	5.411	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1	483437420	JQIFWQZDXBZCGS-UHFFFAOYSA-N	423.472	5.840	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2)n1	486275088	NLJJMIGCALNQPX-KRWDZBQOSA-N	416.428	5.209	30	20	HKED	
N#CCCN(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C12CC3CC(CC(C3)C1)C2	486563563	SBGYNTZHJRXTGL-UHFFFAOYSA-N	423.557	5.198	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1	487518776	XTBOSHZVNBZIEB-HXUWFJFHSA-N	407.901	5.479	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccn1	488941203	XVURSACEGVFKNO-KRWDZBQOSA-N	421.570	5.077	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1CCCc1ccccc1	494049238	MZECMMRCYFOFKU-FPOVZHCZSA-N	407.583	5.958	30	20	HKED	
C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	498276197	MCHTUDSRKCJWHQ-CABCVRRESA-N	417.372	5.518	30	20	HKED	
CCC[C@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	499068284	GHHLEAMBNBPQEE-DNVCBOLYSA-N	413.509	5.216	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Cl)sc1Cl	500743040	LAQHIZIRIXZDEP-UHFFFAOYSA-N	403.290	6.280	30	20	HKED	
CCCCN1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	502215849	OESRDNSIKNJWRT-JOCHJYFZSA-N	424.976	5.381	30	20	HKED	
CCCc1noc2nc(CC)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12	503355131	OQEAHKJXCUWTJL-CQSZACIVSA-N	408.527	5.242	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1	504183367	GOTZUYVQUPIXMS-UHFFFAOYSA-N	418.783	5.237	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	505443242	FHSPGGQFOWANIR-ZDUSSCGKSA-N	421.831	5.728	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505817943	LMVSWJZGBGALPO-PWSUYJOCSA-N	416.337	5.352	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc(C)nc21	505949474	TZFZCNXZMGNFGX-XIKOKIGWSA-N	416.312	5.012	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccccc1SC	508495972	XGJKGTCFMLMWDW-UNMCSNQZSA-N	420.582	5.068	30	20	HKED	
Cc1cccc([C@@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C(F)(F)F)c1	510470231	HZLGJZAAAMNDGU-MGPUTAFESA-N	421.488	5.079	30	20	HKED	
Cc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1	510674553	JYNMZODMZVOKBK-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCc2cc(F)ccc21	510873980	WOTUCVCDEUYWDN-HSZRJFAPSA-N	401.441	5.607	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)o1	513274217	QRIDUBATKKYGPW-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
COc1ccc(Br)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	518229567	QIHLGPYHJPPLSN-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)nc2ccccc21	520750350	YHXLCOSJVFCDNJ-OAHLLOKOSA-N	423.444	5.393	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3C(F)(F)F)c2)cc1	522313507	IHMUBTITVXDDDD-UHFFFAOYSA-N	414.358	5.547	30	20	HKED	
COc1cc([C@@H](C)Nc2nc(C(F)(F)F)ccc2C#N)ccc1OC1CCCC1	522417541	ADPFYGVEZRJKID-CYBMUJFWSA-N	405.420	5.475	30	20	HKED	
CC(C)c1noc2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc12	524390977	NTRXGUFYCZZFGI-UHFFFAOYSA-N	412.449	5.049	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)o1	531865721	XWXMJJPHUIWXFJ-QGZVFWFLSA-N	420.881	5.312	30	20	HKED	
COc1ccc(CNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)cc1C#N	533464288	ZNAAVHQAZPEKIE-UHFFFAOYSA-N	409.848	5.224	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)n1	539001379	NTIBBOCIWJEZMP-ZDUSSCGKSA-N	419.428	5.246	30	20	HKED	
C[C@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1cccc(C#N)c1	539495070	CQKYYHWLYDEFBH-UONOGXRCSA-N	412.356	5.856	30	20	HKED	
CC[C@@H](C)Oc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1	539679081	OPWNMKKQKNJQNJ-TZMCWYRMSA-N	413.449	5.151	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](Cc3ccc(Cl)cc3)c3ccccc3)o2)cc1	540380523	OCYSFXVVLQXOKT-QFIPXVFZSA-N	414.896	5.335	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(Cl)c1Cl	542719158	WXVPKJCBLIAHSL-UHFFFAOYSA-N	413.102	5.291	30	20	HKED	
CN(CCc1ccccc1O)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	543362091	VMLJWHBLKWGFFO-UHFFFAOYSA-N	406.869	5.024	30	20	HKED	
COc1ccc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)cc1OCCCC#N	547372018	JWGIRQZDNHUHSN-UHFFFAOYSA-N	405.325	5.463	30	20	HKED	
Cc1coc(C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	550179264	MVVYVRTWPSFCSH-UHFFFAOYSA-N	405.401	5.087	30	20	HKED	
CC(C)c1ccc2occ(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	554006975	RPFFXAUGWRHNJD-LJQANCHMSA-N	411.486	6.041	30	20	HKED	
COCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSC1CCCCC1	566820543	AEENRTBAZPPDQS-QFIPXVFZSA-N	400.544	5.047	30	20	HKED	
Cc1csc(NC(=O)c2csc(-c3ccc(Br)s3)n2)c1C#N	569208110	UCHKHPUZSSNBAU-UHFFFAOYSA-N	410.343	5.128	30	20	HKED	
C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	575929838	RCFZJBVHWOMAAC-LPHOPBHVSA-N	412.917	5.160	30	20	HKED	
C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1c1cccc(F)c1	583231465	NCGMRHTYDJFLMS-DVWBAYGPSA-N	412.553	5.109	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)nc(C)n1	592975492	HGRSIXWZFBKDHR-HNNXBMFYSA-N	417.412	5.211	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)sc2c1-c1ccccc1CC2	603992745	XTEMLHUILQMYOY-KBPBESRZSA-N	404.457	5.693	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2ccncc2)cs1	604005512	YXFOJFHLFANMPY-CQSZACIVSA-N	422.922	5.472	30	20	HKED	
CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1c1ccccc1	604363016	KCSRLFBTYGWCFS-QHCPKHFHSA-N	424.504	5.426	30	20	HKED	
CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1c(C#N)cnc2ccc(OC(F)F)cc12	604520312	DQSOSZINQWZMLH-HXOBKFHXSA-N	423.463	5.312	30	20	HKED	
CC(C)(C)[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1	605050449	QQOIKVMRROBAIQ-CYBMUJFWSA-N	414.365	5.439	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3F)C3CC3)cn2)c1	609139279	SXMKFUXNZLWPPZ-UHFFFAOYSA-N	420.419	5.220	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	609523244	GREHPOWHFIAFQA-VBQJREDUSA-N	413.226	5.497	30	20	HKED	
Cc1ncc(-c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)o1	609641551	HSHFSPCSWULGIM-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CSc4ccccc43)c2)cc1	609814924	IQSUMXAUJFVKPD-JOCHJYFZSA-N	400.503	5.160	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1	610051449	JNDSQJZKHGMEJD-INIZCTEOSA-N	420.896	5.143	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nccs1	610095124	BUMIZCFWPJWWRH-JOCHJYFZSA-N	424.501	5.180	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N1CCC[C@](C)(C#N)C1	612372432	WOUADEIXYXDOKJ-JLTOFOAXSA-N	402.951	5.168	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc(-c2ccccc2)cs1	613392202	LPXJNBYTJLXXEM-MRXNPFEDSA-N	421.934	6.077	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cc(C(=O)OC)c(F)cc1Br)c1ccccc1	614494374	JEDCCRCKLMJTGU-CQSZACIVSA-N	420.278	5.063	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(C(F)(F)F)c(C#N)c1	619267341	ZYUBKKFHCXCSRB-UHFFFAOYSA-N	404.432	5.841	30	20	HKED	
N#CCn1c(-c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)cc2ccccc21	619756789	BTXJCOSSZURSMB-KRWDZBQOSA-N	400.335	5.293	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)c(F)cc(F)c1F	622284188	SAQMAHGBADPUSW-UHFFFAOYSA-N	405.191	5.533	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c(C)c2c1	640537834	XFHYGRZWEGPDEE-UHFFFAOYSA-N	422.484	5.310	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C	642748260	DBERDTUIMGMRHG-UHFFFAOYSA-N	420.538	5.921	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Br)cnc2Cl)sc2c1CCCCCC2	726504633	VOHNGHOYTZOSOK-UHFFFAOYSA-N	424.751	5.342	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc(Cl)nc1	727084871	YHIOYZDEWBPKML-UHFFFAOYSA-N	410.905	5.458	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)c(C)c1	727268858	WQRJSKYYUXBDSR-BKUYFWCQSA-N	419.550	5.326	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc(-c2ccccc2)cs1	727954708	SBTFEDBMTANTEL-MBWOQUJGSA-N	414.530	6.021	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](c3ccccc3)C(C)C)n2)cc1	728769742	JFLYXQYSXYJIRW-NHCUHLMSSA-N	404.535	5.825	30	20	HKED	
N#Cc1ccc(CNC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	729832773	LRPNOJMCURSRHE-DUXPYHPUSA-N	416.296	5.065	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nc(-c4ccoc4)no3)cc2Cl)c1	729849558	ITOHDWPYTMHJBO-UHFFFAOYSA-N	406.829	5.046	30	20	HKED	
CCc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)s1	731152237	YQALETPQWKYSDP-UHFFFAOYSA-N	400.573	5.084	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)cc1	732708614	RYMGOPTVKOBAKK-FQEVSTJZSA-N	420.415	5.281	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1	733806049	WKCLXQVKGHUBIT-RBBKRZOGSA-N	411.521	5.483	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	734080937	ATUIVPOPDMIAJP-KJYTYGLYSA-N	403.507	5.272	30	20	HKED	
C=CC[C@H](NC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1ccncc1	734665723	QHJROXCYKFFHTE-DEOSSOPVSA-N	413.521	5.190	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	735745374	GLEQNDAMZMDMEK-YVEFUNNKSA-N	424.353	5.100	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C)c1C	740327500	MHKLHRNBFBBOSA-HNNXBMFYSA-N	421.415	5.071	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(C(F)(F)F)cs2)cc1	741058852	JKCXUFWJUUDRKK-MRXNPFEDSA-N	416.428	5.139	30	20	HKED	
O=C(/C=C/C1=Cc2cc(Br)ccc2OC1)c1c(Cl)nc2sccn12	741843545	HWFKZVACIXOOFX-HNQUOIGGSA-N	421.703	5.027	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744034174	BTXFRIDWQZKLMK-KDOFPFPSSA-N	412.917	6.048	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)NCc2cc(C#N)ccc2F)C(C)C)s1	745892942	KDOBZCQYOCPTDL-UHFFFAOYSA-N	421.541	5.855	30	20	HKED	
CCCN(Cc1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	746658181	CJAVCRSAUIEIBK-HSZRJFAPSA-N	401.485	5.925	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	746660364	QYUHYSHXPAREOQ-SANMLTNESA-N	422.532	5.904	30	20	HKED	
COc1cc(C=NOCc2coc(-c3ccc(Cl)cc3)n2)ccc1OC(C)C	749807899	QCYMRXLTWSVVFR-UHFFFAOYSA-N	400.862	5.342	30	20	HKED	
C=CCC[C@@H](NC(=O)NCCCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1	749838552	HSQSGGQURNYVII-LJQANCHMSA-N	409.452	5.250	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1F	750302109	KNJXIJJRQFOQBP-NRFANRHFSA-N	401.485	5.580	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(=O)oc2ccccc12	750623798	FHOXVGIIKINBSY-UHFFFAOYSA-N	414.392	5.157	30	20	HKED	
Cc1nccn1-c1ccc(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1	751516435	BMKSWDGGNZNTSV-YFHOEESVSA-N	416.462	5.109	30	20	HKED	
COc1cccc(/C(C)=C\C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	751835960	XCVAPXUPDFMGNF-RCBBPTIPSA-N	410.445	5.377	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)cn2)cc1	752183362	BLMBRUDYJQWMAT-FQEVSTJZSA-N	404.857	5.378	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(CCC(F)(F)F)cc2)c1	753546109	ARQRLZLGPQRMTC-SFHVURJKSA-N	405.420	5.184	30	20	HKED	
C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1	757981004	HYKRGRRVOFOGLA-LBPRGKRZSA-N	416.264	5.152	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cc(F)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1	762038982	LBYLXYVRLPUWFC-AWEZNQCLSA-N	424.394	5.792	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c1	762219033	WQFVGNCQJQOGFM-BEWREHSGSA-N	422.834	5.283	30	20	HKED	
C=CCn1c(COc2ccccc2)nn(CN2CCC[C@@H]2c2ccsc2)c1=S	764890611	YJGVAMVJPNNTHF-LJQANCHMSA-N	412.584	5.035	30	20	HKED	
CCC[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(C(F)(F)F)c1	777115306	XTNVIPBDHSGSID-OAQYLSRUSA-N	417.475	5.491	30	20	HKED	
C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccccc1Cc1ccccc1	777176382	AJCNSAQPOROHEC-IBGZPJMESA-N	424.500	5.017	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1	780149543	QDPTYIXZLQZSDM-QRQCRPRQSA-N	408.404	5.014	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1	780678706	WBMBWSYUVIZNFL-SFHVURJKSA-N	420.557	5.065	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)o1	781769482	WKZQYTMTXWPDKF-GFCCVEGCSA-N	419.289	5.585	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2c(Br)c(C)nn2C)cc1	790600773	NOFDPRRUMQODOF-SEYXRHQNSA-N	411.299	5.063	30	20	HKED	
COc1cc(/C=C/c2nc3cc(Br)cc(Cl)c3o2)ccc1OCC#N	792917138	IICUTQYFAISWNV-HWKANZROSA-N	419.662	5.325	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(C3CC3)cnc2Cl)cc1Cl	793067985	QBWOFPDWTWSDLV-FQEVSTJZSA-N	422.315	6.174	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	806200969	QLYPDVOXDWOHMT-XMMPIXPASA-N	415.493	5.038	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(F)cc1	812310779	DNWUQFGSGMRQRE-KRWDZBQOSA-N	423.435	5.115	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1cc(C(F)(F)F)ccn1	813214144	TZSXUUQRSMREDI-QQOXCAACSA-N	416.399	5.858	30	20	HKED	
C=CCc1cc(CNc2cc(OC)ccc2NC(=O)OC(C)(C)C)cc(OC)c1O	816664465	OAGRCIDANOJQFT-UHFFFAOYSA-N	414.502	5.097	30	20	HKED	
CC(C)c1nnc(S)n1N=Cc1ccc(-c2ccc(Br)cc2)s1	863966202	ZRLGEDVTWXNZJR-UHFFFAOYSA-N	407.362	5.063	30	20	HKED	
N#C[C@H](C(=O)Cc1csc(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1	917046707	MJGAZQJVSTUMCB-OAHLLOKOSA-N	409.923	5.492	30	20	HKED	
N#C[C@@H](C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)c1nc2ccccc2o1	917509873	GNFHESKTCVFTQF-DTBYZMGXSA-N	416.839	6.037	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	918322732	KRBJNHHVJIKNIX-UKILVPOCSA-N	409.489	5.256	30	20	HKED	
CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccccc1OCC#N	920002541	CDESFEDOPWVSIO-QHCPKHFHSA-N	420.459	5.661	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1	920399392	RFFXWLGZDNDZJT-UHFFFAOYSA-N	414.195	5.196	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc2)CCC1	1789188663	BBUKILXQNDFCQA-STZQEDGTSA-N	407.558	5.031	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(C)c4[nH]3)cc2)CCC1	1789255391	MRARSTAOWRZLPM-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1	1789448575	CEJHEXPVYNHNLD-FQEVSTJZSA-N	419.525	5.068	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1	1789452934	GJHFAEALNNGDBH-DGXIYAMASA-N	404.510	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	1797877241	WBYYPHBSXWDULB-OGXDUAGGSA-N	414.634	5.224	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(F)CCCCC2)n[nH]1	1818882325	UFHPSYOWRGYJLE-GOSISDBHSA-N	418.557	5.067	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(C)c1	10241327	LDWOHKBCEBKHPE-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1cccnc1	10811200	SPNVAFYTCNKOSQ-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1SCC(F)(F)F	45873846	JPZRRXNDORSNGK-UHFFFAOYSA-N	411.474	5.007	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1	65632324	BBVOEKYQLPLEBQ-SANMLTNESA-N	419.484	5.052	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Oc2cccnc2)cc1	109072741	DPCUWRCCUOOZEN-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1c(F)cccc1F	141991442	FJYRVFHEPBWZCB-OAHLLOKOSA-N	407.420	5.376	30	20	HKED	
COc1ccc(-c2ccc(CNc3cccc(OCCCC#N)c3)o2)c([N+](=O)[O-])c1	237441512	GDVBAWUFOZOTLK-UHFFFAOYSA-N	407.426	5.158	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)c(Cl)c1	426149670	RJCROURGUKKYMP-KRWDZBQOSA-N	404.695	5.343	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H](c2ccccc2)CO1	437382979	FYRBLTRNSFTVMG-DFBJGRDBSA-N	412.489	5.147	30	20	HKED	
CC[C@H](NCc1ccc(Cl)cc1I)c1ccc(C#N)cc1	447566814	WRIABHWVXXAVFD-KRWDZBQOSA-N	410.686	5.057	30	20	HKED	
COCCCCc1cccnc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	463021343	ARLUUZUAURXCMK-UHFFFAOYSA-N	419.456	5.106	30	20	HKED	
N#Cc1cc(NC(=O)CCC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)cc1	464301352	YXXHJRUZUKEINT-UHFFFAOYSA-N	402.294	5.650	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Cc1cccc(F)c1	468006897	VSFZRRLNYUCBCY-IBGZPJMESA-N	416.496	5.678	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC1(C#N)CCC1	468424097	WJUXWRGOQDUWKR-MRXNPFEDSA-N	403.507	5.052	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	468525266	UUBYXCJTBJPBCX-WDEREUQCSA-N	407.276	5.152	30	20	HKED	
COc1cc(CNC2(c3nccs3)CCCC2)ccc1OCc1cccc(C#N)c1	471043689	NCCBKHWITNADTH-UHFFFAOYSA-N	419.550	5.161	30	20	HKED	
C=C(C)[C@H](CC(=O)N(CC(F)F)c1c(C)cc(Br)cc1C)OCC	472011244	GYQAMCXYFRVWPL-HNNXBMFYSA-N	404.295	5.035	30	20	HKED	
COc1cc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1Br	472748818	JDGISBOXWXLXPK-GFCCVEGCSA-N	420.332	5.496	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)F)c1	474276818	RWBPNELTZXXQHO-AWEZNQCLSA-N	411.292	6.067	30	20	HKED	
CCc1cnc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)s1	475597704	XEESXGRSFBAYLW-UHFFFAOYSA-N	422.510	5.042	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	475947895	UDLWFBDGKXTGGR-IBGZPJMESA-N	401.510	5.216	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)s1	476391868	LZUIYPVNAVRFRZ-CQSZACIVSA-N	407.564	5.931	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccccc1NCc1ccc(Cl)cc1)c1ccccc1	476698263	YJBLRVMCADPGSB-FQEVSTJZSA-N	403.913	5.978	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COC/C=C\c1ccccc1	477016609	DOXFZPVOBKRXHN-WDZFZDKYSA-N	412.489	5.114	30	20	HKED	
Cc1nc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)sc1C	478232686	MYGLLLCCZOABCL-LJQANCHMSA-N	424.957	5.433	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1	479312962	GVUJYQACPMLSOU-UHFFFAOYSA-N	406.442	5.087	30	20	HKED	
C[C@H](NS(=O)(=O)CCCCC#N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	480791415	YQJRIKXJMYTWEK-ZDUSSCGKSA-N	416.490	5.108	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482374040	VUHHNXCLKRBOLP-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12	483699706	OAWAZMMGLFLQEF-ZDUSSCGKSA-N	410.568	5.081	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1OCc1ccccc1F	485513404	AVQQNQXWPJBCDU-MRXNPFEDSA-N	421.497	5.304	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1	488382940	WXUDYABCLBJZSR-NRFANRHFSA-N	403.482	5.215	30	20	HKED	
Cc1ccc(-c2nn(CCCC3(C#N)CCOCC3)cc2Br)cc1C	499979400	OAJXDVGTYXTGJF-UHFFFAOYSA-N	402.336	5.030	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cc(F)cc(F)c2)cc1	500755715	ZXBRUXNWTMFJJO-UHFFFAOYSA-N	408.473	5.101	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	503226694	STNRPJIMLZLVKN-VQIMIIECSA-N	411.527	5.140	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	503432162	RDJIFRAUWMGPHW-UHFFFAOYSA-N	409.389	5.240	30	20	HKED	
C[C@@H](SCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)c1nc2ccccc2[nH]1	505355407	IAYVWDFSBQGGEO-BZNIZROVSA-N	419.337	5.045	30	20	HKED	
N#C[C@@H](C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	505440121	MMKFKKOFVJGICP-ICSRJNTNSA-N	422.937	5.848	30	20	HKED	
Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1sc(C)c(C)c1C#N	506842600	VUBNIEPOUYPTHB-UHFFFAOYSA-N	416.300	5.215	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510023971	OZBGETLLWBKPLH-OAQYLSRUSA-N	421.953	6.277	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc2ccccc2s1	513053622	XCHDJEORVJDNNQ-HNNXBMFYSA-N	405.866	5.627	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCCc3c(F)cc(F)cc32)c1	513462462	DTYGOBUJXMBKGB-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1C	513692657	RKFJNVHXQSXZFL-HXUWFJFHSA-N	410.498	5.634	30	20	HKED	
CC(C)[Si](C(C)C)(C(C)C)n1ccc(B2OC(C)(C)C(C)(C)O2)c1C(F)(F)F	514251795	FXIRFTMTTYNLRL-UHFFFAOYSA-N	417.397	5.830	30	20	HKED	
C=CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1nc(-c2ccccc2)cs1	518170802	GFVHHUCQFXOPLH-UHFFFAOYSA-N	408.571	5.718	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1ccccc1OC	518259408	KSUYQZRTYZKCTJ-MSOLQXFVSA-N	411.571	6.095	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	520874748	IRRZYDNUQYMMNU-UHFFFAOYSA-N	417.918	5.459	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1Cl	523378918	WLZQPHMNGXRVRD-OAQYLSRUSA-N	417.871	5.797	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](C)c1cc2ccccc2o1	524382162	NNFWKJIPKLSYRN-QGZVFWFLSA-N	414.461	5.700	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccco3)Cc3cccs3)o2)cc1	524384760	RZIFMYSHSPUCMM-UHFFFAOYSA-N	418.474	5.227	30	20	HKED	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	524565010	CLUOGGSRSWBTEA-INIZCTEOSA-N	412.515	5.289	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@@H](C)Oc2ccccc2C#N)cc1	525018703	IKDVVMTZTGKGDI-RBUKOAKNSA-N	414.505	5.221	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3ccc(F)cc3)CC2)cc1	531218273	YIMZYCRSWIKEMR-UHFFFAOYSA-N	415.468	5.282	30	20	HKED	
C=C(C)Cn1c(SCc2nc3ccccc3c3ccccc23)nnc1-c1ccncc1	532635510	QQTIESUNGPXKDQ-UHFFFAOYSA-N	423.545	5.910	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](C3CCOCC3)C2)cc1Cl	532852302	KFWAJGBFUSAERC-UGKGYDQZSA-N	423.944	5.276	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(Br)c1	533640568	DBDRVOIDKUMXAR-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(C[C@H](C)C#N)C2CC2)cs1	533758830	MXESVTHVZPLSIC-GFCCVEGCSA-N	423.369	5.259	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2c(F)cccc2F)c1)c1nc2ccccc2n1C(F)F	536070662	KBXXYIVDZYVOBB-OAHLLOKOSA-N	423.369	5.867	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(C)o2)nc2scc(-c3ccccc3)c2c1=O	536540297	JSGSFIUYSJUBAR-CQSZACIVSA-N	409.536	5.461	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc2[nH]ccc2c1	538400209	OBZAYCUZXJFIJU-UHFFFAOYSA-N	417.456	5.764	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	541790515	QLOXLBQICDFSLJ-UHFFFAOYSA-N	421.541	5.339	30	20	HKED	
C=C(C)Cn1c(SCc2nc([C@@H](C)c3cccs3)no2)nnc1-c1ccco1	547160805	NLWLFPSEYCBMQQ-ZDUSSCGKSA-N	413.528	5.003	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCOc3ccccc3Cl)cc2)c1	551673339	WYGBYIMCGAPSLR-UHFFFAOYSA-N	406.869	5.198	30	20	HKED	
CSC[C@@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	554279858	WMILGOQPKYQAHU-OAHLLOKOSA-N	400.931	5.219	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2Cc3cccc(Cl)c3C2)cc1	558317718	WCCTYXNJMRUQKI-UHFFFAOYSA-N	419.868	5.560	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1	567811997	ZILQKWCUKTZSGO-JOCHJYFZSA-N	418.456	5.201	30	20	HKED	
CC(C)(C)C(=O)N1CCC(CNc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	572859282	MXUXJPFPGZEXIX-UHFFFAOYSA-N	409.505	5.186	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c3c(C)noc3n2)c(C)s1	590841267	OMPLVQSQBGSJQK-LJQANCHMSA-N	420.469	5.010	30	20	HKED	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2sccc2C#N)c1	603450382	ZRWBQSHLJOBOQE-UHFFFAOYSA-N	402.454	5.172	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)oc2ccc(Cl)cc12	603623336	HUBVOSABZWQLBR-UHFFFAOYSA-N	403.825	5.706	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CSc3ccccc32)cc1OCC	605166122	RWLCKLAYLOISSB-KRWDZBQOSA-N	420.372	5.349	30	20	HKED	
C=CCc1cc(C(=O)Nc2n[nH]c(C)c2-c2cccc(Cl)c2)cc(OC)c1OC	608469836	PPBQTLGPNGVGFJ-UHFFFAOYSA-N	411.889	5.037	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608782277	JGFQJHORYSZNED-ITGUQSILSA-N	424.389	5.146	30	20	HKED	
Cc1ccc(C)c(Oc2ccc(CNCc3cccc(OCCCC#N)c3)cn2)c1	608860223	GSKJBNUOHFGZNM-UHFFFAOYSA-N	401.510	5.463	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	609055818	SLYIMCIYVUCMMR-QHCPKHFHSA-N	416.477	5.106	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cs1	609376576	DWDKEPRYRORMOO-HNNXBMFYSA-N	423.563	5.535	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OCC	609496537	IRBSFDGIFFTBCX-UHFFFAOYSA-N	416.477	5.595	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	609570825	NRHZQDKLJGSPMP-UWVGGRQHSA-N	423.307	5.706	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1Oc1ccncc1	609662492	QMOCEZGLJRFRMN-GOSISDBHSA-N	412.276	5.484	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(CC(F)(F)F)c3ccccc3)c2)c1	609786155	FTNUOSJKHUDACC-UHFFFAOYSA-N	410.395	5.346	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(SCc2ccc(C#N)cc2Br)o1	611492220	WKZXNUZTNFLEBM-INIZCTEOSA-N	414.328	5.538	30	20	HKED	
N#Cc1cc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)ccc1Cl	612598964	KMSLUKJYHHKJOM-UHFFFAOYSA-N	407.926	5.355	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613320061	SWLZXFPGNACYFM-AWEZNQCLSA-N	401.944	5.842	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc2cc(Cl)ccc2s1	613407291	PAGYEDNNABKYPR-HNNXBMFYSA-N	422.918	5.732	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cccc(OC)c4o3)n2)cc1	619756429	FOIAXNIAZVLNFN-INIZCTEOSA-N	404.447	5.064	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccccc2Br)cc1Cl	619768915	SCKOKBLHQHDWCC-SFHVURJKSA-N	418.722	5.021	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1	662025077	PLVKPVURBACSES-ZWKOTPCHSA-N	420.582	5.052	30	20	HKED	
C#CC[C@@H](OC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccn1	727775781	PDPXSIRQCLHCGR-GOSISDBHSA-N	416.424	5.074	30	20	HKED	
CCc1c(C)sc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1C#N	727790441	IUAIJWGWYYAGDA-NYYJTOMGSA-N	407.377	5.163	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	728117886	AKZHKPPGTLYMQG-SFHVURJKSA-N	403.404	5.345	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2nc(-c3ccsc3)oc2C)c1	728181597	RBIUURCTYXNSLG-UHFFFAOYSA-N	402.475	5.062	30	20	HKED	
CC(=O)c1ccc(OC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	728490169	JWZXZUPZPCJAKQ-UHFFFAOYSA-N	424.268	5.050	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=S)Nc3ccccc3C#N)ccc21	729161508	CTXLORIMULIXTH-UHFFFAOYSA-N	408.527	5.055	30	20	HKED	
Cc1nc(CCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)oc1-c1ccccc1	730417145	LHHAZCATTLTHMY-INIZCTEOSA-N	405.454	5.208	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1	730997222	DJSMWHHZUFYYLU-MRXNPFEDSA-N	416.568	5.061	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1	731062838	MCYRJLULGJSTNY-MRXNPFEDSA-N	410.539	5.174	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	731135802	KBTVYLJHTBRWAW-NFBKMPQASA-N	424.500	5.636	30	20	HKED	
CC(C)(C)n1cc(C=NNCc2cccc3cccnc23)c(-c2ccccc2Cl)n1	731152026	UZRVVLCQZAWDNS-UHFFFAOYSA-N	417.944	5.630	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCCCc3nc4ccccc4s3)cc2)nc1	732497387	OEYMJWCHPVKQOO-UHFFFAOYSA-N	415.474	5.145	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SC(F)F)cc2)c(Br)cc1O	734980975	NSZQWCANJBGKOA-QPJJXVBHSA-N	415.255	5.374	30	20	HKED	
C=CCCCN(C)Cn1nc(Nc2ccc(OC(F)(F)F)cc2)sc1=S	736582659	JNTGZBWCJQTIAM-UHFFFAOYSA-N	404.483	5.172	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)c3cccnc3)c2)s1	740059636	LLGNBUYNFQQGOG-XMMPIXPASA-N	424.529	5.271	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3cscn3)c2)cc1	744030062	YZELXBDQGDZTMD-FQEVSTJZSA-N	403.507	5.114	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1NC(=O)OC(C)(C)C	744351799	PNOWNVGWHNKEER-UHFFFAOYSA-N	411.527	5.406	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc([S@](C)=O)cc1	746369231	UQUQOJWNUWWVSD-LJAQVGFWSA-N	424.526	5.071	30	20	HKED	
COc1cc(-c2noc(CSCc3cc(Cl)ccc3OCC#N)n2)ccc1C	749622486	XVCNMNIQXPGCPC-UHFFFAOYSA-N	415.902	5.043	30	20	HKED	
CO[C@@H]1Cc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2C1	753049301	TWNOCIOCCSXGOP-JOCHJYFZSA-N	414.530	5.216	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1c[nH]c2cc(Br)ccc12	753145148	WDXWYKBINGITCT-FNORWQNLSA-N	410.296	5.345	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1	753327365	UJKUPLWLUZXGAT-OAHLLOKOSA-N	421.349	5.293	30	20	HKED	
COc1cc(C2SCCS2)ccc1OCc1cc(C#N)ccc1Br	754881354	BOHOTBGDJUTOPT-UHFFFAOYSA-N	422.369	5.387	30	20	HKED	
CC(C)C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1cccc(C(F)(F)F)c1	760386571	LPWIEUHPACUTKP-FQEVSTJZSA-N	404.432	5.054	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3nc4ccc(F)cc4s3)cc2c1C	761478139	QAICFWIPLNVOCI-AATRIKPKSA-N	412.467	5.036	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1C	764698364	DYQMBXBALQNWLE-SFHVURJKSA-N	419.472	5.284	30	20	HKED	
N#C[C@H](C(=O)[C@H](F)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	769296758	XRKNEIVBKZPMPS-RHSMWYFYSA-N	405.281	6.004	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1/C=C1\CCc2nc(O)ccc2C1=O	769611410	ZJZYMFGTNCDTIV-BUHFOSPRSA-N	407.901	5.136	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(Cl)c(Br)c2)ccc1OC	776173883	CIRHELGREHDPML-OAHLLOKOSA-N	423.738	5.082	30	20	HKED	
C#CCOc1ccc([C@@H](C)NC(c2cccc(OC)c2)c2cccc(OC)c2)cc1	776725325	JOVONMIYXUBRMD-LJQANCHMSA-N	401.506	5.156	30	20	HKED	
C#C[C@@H](OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)C1CC1	779233423	BLZNVGMTAOAXSK-DLODMQFESA-N	408.382	5.064	30	20	HKED	
COc1ccc(SCCCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	781469290	JOSGVALFZOOBJS-INIZCTEOSA-N	400.500	5.193	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)ncc2Cl)sc2c1-c1ccccc1CC2	782329845	VNEDCSFGBUJGLD-UHFFFAOYSA-N	400.290	5.339	30	20	HKED	
COc1cccc(C(=O)CCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	794223195	WEIASSAHJXYBDF-DEOSSOPVSA-N	412.489	5.342	30	20	HKED	
N#CC[C@H](CC(=O)Oc1cccc(CNC(=O)Nc2ccccc2)c1)c1ccccc1	796904504	LPYLYULPWJOIPQ-OAQYLSRUSA-N	413.477	5.001	30	20	HKED	
Cc1nnc(SCc2c(C(=O)OCC(C)(C)CCC#N)oc3ccccc23)s1	798878042	YGDJXPIVDMUQPI-UHFFFAOYSA-N	415.540	5.372	30	20	HKED	
Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	804485026	ZVOOZUMUNBOLCC-HOYKHHGWSA-N	416.546	5.011	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1	808447130	NTTCGJJBUBGBTF-SZNDQCEHSA-N	424.342	5.388	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)CCCCCC#N)CC(C)(C)O2	810958372	QAMICNSELOHVTF-SFHVURJKSA-N	415.534	5.226	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(C(F)(F)F)cc1	813218041	LKZDMMBHDDXDGV-IAQYHMDHSA-N	400.322	5.489	30	20	HKED	
CC(=NNc1cncc(Cl)n1)c1sc(-c2ccccc2Br)nc1C	814797295	FURSQPAZFILSCJ-UHFFFAOYSA-N	422.739	5.161	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4cccc(OCc5cccnc5)c4)no3)CCCC2)cc1	904501218	AQNXVRCELBWEOA-UHFFFAOYSA-N	422.488	5.442	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2cccs2)cc1OC	912672390	SLBXHXZFQFUXGO-LUAWRHEFSA-N	409.507	5.157	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(F)cc1	915087118	ZWSUHEPVIYSPHM-QHCPKHFHSA-N	424.479	5.482	30	20	HKED	
N#C[C@H](C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	915103258	RIMHGSYUKIJNQU-BFDYHAEOSA-N	422.594	5.183	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCSc2ccc(OC)cc2)cc1	916955089	MJMDBTTZNKNBAP-KKSFZXQISA-N	410.539	5.038	30	20	HKED	
COc1cccc(COc2cccc(Cl)c2C=NNc2nncc3ccccc23)c1	917532242	RIWZEEIKABYMRC-UHFFFAOYSA-N	418.884	5.317	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cs3)CCC2)cc1	1791299207	YEGWBFQFZGFQKK-UHFFFAOYSA-N	404.482	5.016	30	20	HKED	
N#CCCn1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c(-c2ccccc2)n1	6787699	HONRAUISXCLGNR-GHRIWEEISA-N	414.490	5.089	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1	15818000	PQNPVRZXMRIGBF-UHFFFAOYSA-N	420.856	5.179	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(O)c2)s1	22728282	IOKYBNYCUHBWGW-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
N#Cc1cccc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c1	28701236	ZVTVHFXSTYQMGB-UHFFFAOYSA-N	421.334	5.261	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)/C(O)=N/c1nnc(SCc2cccs2)s1	50004774	VXZHWIHCQIADBH-SNVBAGLBSA-N	411.961	5.601	30	20	HKED	
C=CCc1cc(C(=O)Nc2nnc([C@H](CC)c3ccccc3)s2)cc(OC)c1OC	78609736	WQTWPPIWWDKDMU-GOSISDBHSA-N	423.538	5.078	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cnc(-c3ccccc3)nc2)cc1	96991580	RSTWLYAJAGYHGM-UHFFFAOYSA-N	422.513	5.560	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1sc(COc2ccc(F)cc2)nc1C	195559494	BAXWCDFDWTWRJJ-UHFFFAOYSA-N	414.477	5.137	30	20	HKED	
N#CCCCOc1cccc(N[C@@H]2CCCOc3cc(Br)ccc32)c1	195656684	ZEQVRCDBQVKKMR-LJQANCHMSA-N	401.304	5.457	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	303270950	HIGCJQTXFNLOKW-VNQPRFMTSA-N	404.457	5.699	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1Cl	303294778	BNPWRXGWVHDCKP-OXQOHEQNSA-N	413.974	5.510	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	409866115	WCJUFIBLCQFRLS-UHFFFAOYSA-N	419.428	5.157	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	410198715	FRBMGQPVEOMZDX-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
CC(C)N1CCc2nc(CNc3ccc(Oc4ccccc4)c(C#N)c3)sc2C1	428412834	XPXNUZPBJCCORC-UHFFFAOYSA-N	404.539	5.186	30	20	HKED	
CCOc1ccc([C@H](NC(=O)c2cccc(SCC#N)c2)C(C)C)cc1OCC	429926864	NCSGKBKWMXNERK-JOCHJYFZSA-N	412.555	5.227	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)n1	430508819	HICJBGKMECEEJM-LBPRGKRZSA-N	405.310	5.249	30	20	HKED	
CCc1ccc([C@@H]2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	433062406	SUTMWSDLURQEPC-GHTZIAJQSA-N	407.583	5.071	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1	433811007	NAQOCTPXHDEWJT-DENIHFKCSA-N	402.523	5.422	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	437386150	ASKKEDWXXOXQBE-HNNXBMFYSA-N	417.368	5.227	30	20	HKED	
Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	437905903	GERNHZWHOXZEDS-QHCPKHFHSA-N	405.542	5.052	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438643095	SCRBOQKBWKNULM-NSHDSACASA-N	415.337	5.821	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1c(C)nn(C)c1C	438668023	DLEJYQZSDBEVIB-LJQANCHMSA-N	421.476	5.113	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1	439441515	PYBXPMXSOOXXPT-OAHLLOKOSA-N	407.876	5.454	30	20	HKED	
Cn1c([C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccccc2)nc2ccccc21	440081180	PJPMUKSRACJHGF-QPPBQGQZSA-N	423.520	5.007	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)Cc1nnc(-c2ccc(C#N)cc2)o1	441237187	WEFPCJIVSXSGHY-UHFFFAOYSA-N	401.297	5.326	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)c(F)c1	443149416	WTNBKQLIDQONIY-ZDUSSCGKSA-N	408.951	5.745	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1F	444427811	AWVBFJMFVFTDJS-GFCCVEGCSA-N	415.255	5.546	30	20	HKED	
O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Sc1ccc(C(F)(F)F)cn1	447672672	QYHRIGSTFCFOGJ-UHFFFAOYSA-N	419.253	5.209	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1	462046632	KQDHJEIMLMMLBB-ZIAGYGMSSA-N	409.942	5.625	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1	462605399	HPRZLNXVMGAUKQ-NRFANRHFSA-N	414.553	5.136	30	20	HKED	
N#CCCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1	463110761	WCHDVWRUJGUVEI-CQSZACIVSA-N	424.353	5.323	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1	466440732	DVPFBUVHZVWYLV-HNNXBMFYSA-N	419.485	5.222	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)co2)cc1	467704067	AUVGLDZRRCBREO-INIZCTEOSA-N	406.511	5.366	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)n1	469194417	IUHREVSINPOJBS-UHFFFAOYSA-N	400.910	5.054	30	20	HKED	
Cc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1Br	470362311	JBDJJVJPFZBJNC-CQSZACIVSA-N	418.360	5.474	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1	475550148	VBFQTSVICSIFIM-REWPJTCUSA-N	405.586	5.571	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1	475567766	YFWGOMJDXKOOAE-FQEVSTJZSA-N	407.558	5.338	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	476167443	WSRPKUKQPYUMGV-UHFFFAOYSA-N	410.517	6.241	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)cc1	478065002	VFSLEEXEFIOTNF-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(COc2ccccc2)cc1	480780469	OBRKSCUKQJLLAT-UHFFFAOYSA-N	418.541	5.653	30	20	HKED	
C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Oc2ccc(C#N)cc2)CC1	481756576	OEEVURWZIIDUPT-MRXNPFEDSA-N	407.901	5.471	30	20	HKED	
C[C@H](c1ccccc1)N(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CC1	482312355	KYQHMRTVFIPPCK-GOSISDBHSA-N	416.525	5.027	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482314977	FPUYDJJJQSCZHC-OAHLLOKOSA-N	408.317	5.290	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	483521673	DJRNQFDXBBWBRC-UHFFFAOYSA-N	413.433	5.087	30	20	HKED	
Cn1cc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C(C)(C)C)cn1	483567961	YXGGKRVTMSHQRU-OAQYLSRUSA-N	421.476	5.132	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21	486538742	WNHTVXOBVVJOKL-KTDPBYDISA-N	419.594	6.128	30	20	HKED	
C=C[C@@H](CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1	486886153	WEOVHWTTYJRAHY-KRWDZBQOSA-N	403.444	5.187	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c(F)cccc3Br)cc2)c1	487246420	YGMBMPKYIYODCX-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)c1ccccc1	487457101	XPKHEECEWCHDEN-GOSISDBHSA-N	410.315	5.024	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(C(F)(F)F)nc3)cc2Cl)cc1	488682686	CSBWVAJESDRZLA-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCCCCC3)cc2C)cc1	489329740	KIRUZPCXELQEML-UHFFFAOYSA-N	421.545	5.327	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c4ccncc34)o2)cc1	490578859	KUUVHNLMYADOIB-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)nc1	505923662	XAZOJYJAIJGGDX-LJQANCHMSA-N	423.259	5.047	30	20	HKED	
C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@H](c2nccs2)C1	508833136	NSWLHTAIQANWHX-FQEVSTJZSA-N	415.566	5.049	30	20	HKED	
CCN(C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)[C@H](C)c1ccc(C#N)cc1	509558651	JVSLUNGWVXXJDV-MRXNPFEDSA-N	406.917	5.238	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)c1	511010681	HWOUAVFRHNZYQF-IBGZPJMESA-N	401.304	5.383	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)cc2)nc1	513037504	OJBXUPSQHOKBMI-NUNAXRQHSA-N	409.489	5.296	30	20	HKED	
CCc1noc2ncc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc12	516447615	OWFDVWLZMGYMIQ-CYBMUJFWSA-N	408.527	5.122	30	20	HKED	
COCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c2ccccc21	517793019	BZUKCUWNMBGQCM-LJQANCHMSA-N	415.518	5.210	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	518148334	PBJSJEWEKKWUEC-INIZCTEOSA-N	403.551	5.941	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1	518645883	YYDIIEAHTVASQI-UHFFFAOYSA-N	420.865	5.165	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(Cc2cccc(F)c2)CC1	519450394	DTICXVHEHGSSRA-KRWDZBQOSA-N	411.546	5.564	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1F	521191460	PNWZXYOJQHKTGK-UHFFFAOYSA-N	404.283	5.150	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc(N4CCCC4=O)c(F)c3)c2)c1	533217182	UEDPDLKTSGOJAV-UHFFFAOYSA-N	415.468	5.015	30	20	HKED	
COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1Cl	534619716	UGEUQISOISFGJR-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc2ccccc2s1	536178360	GEYBRNWWEIWETK-SFHVURJKSA-N	406.470	5.397	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21	537256476	DBTODNKQGNIXSV-PBHICJAKSA-N	415.946	5.770	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C2CC2)cc1	543277541	IWLHSLIKZWTBOH-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
CN(Cc1ccccc1N(C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	558192152	IMQINUDKZAIAMA-UHFFFAOYSA-N	400.482	5.080	30	20	HKED	
O[C@@H](CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1	559186541	RPYLJXCEDUGBEI-IAGOWNOFSA-N	409.345	5.031	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1OCCc2ccccc21	561608443	VOTORGVGMOABSV-SFHVURJKSA-N	420.456	5.354	30	20	HKED	
N#CCC[C@H](C#N)CNC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	562844304	WSWXYRQXEFKZKM-DNVCBOLYSA-N	411.336	5.640	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1Cl	565677713	JHIAJLZHQFRQPQ-JOCHJYFZSA-N	415.924	5.841	30	20	HKED	
CCCN(CCN1CCCCCC1)C(=O)Nc1ccccc1S[C@H](C)CC#N	571084622	SWTPMQBOHQLPSE-LJQANCHMSA-N	402.608	5.201	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	573825949	WAWMDOKAXIVDJV-HXUWFJFHSA-N	401.470	5.060	30	20	HKED	
C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	580646340	LMSSSNLUZIMEJR-RUZDIDTESA-N	412.493	5.331	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603691242	JZTAUDBRIHKUKN-CQSZACIVSA-N	408.408	5.249	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1	603739757	WYWZWYDWDJBINB-UHFFFAOYSA-N	406.482	5.148	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1	603747221	USEZFZUOFDMMBO-QFIPXVFZSA-N	424.614	5.015	30	20	HKED	
N#CCc1ccc(NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)cc1	603751302	SGZCNZVCKJMZBY-NRFANRHFSA-N	421.294	5.274	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1cccc(C(F)(F)F)c1	603968423	PVOZGXSIOTVLDV-UHFFFAOYSA-N	402.397	5.323	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604003546	IMMNSZLZRCWJKY-QGZVFWFLSA-N	420.896	5.391	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCCOCc3ccccc3)cc2F)c1	609104018	BZAYBWAYULZXSP-UHFFFAOYSA-N	418.468	5.212	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCS[C@H](c4ccccc4)C3)cc2)cc1	609807574	BNMBHFBVWXSFRI-QHCPKHFHSA-N	415.518	5.673	30	20	HKED	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)C1	609813786	RFUPCIUPVDUWMN-FGTMMUONSA-N	421.570	5.127	30	20	HKED	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2ccnc(C#N)c2)nnc1-c1ccco1	610954713	CQSBNOXWKLZWJJ-MRHSLFKSSA-N	405.527	5.094	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)cc1	615131409	LAIKMKABPFMFNF-KRWDZBQOSA-N	402.351	5.108	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc(-c2ccc(Br)cc2)s1	618741939	IZYFPUGPVWCLRF-IBGZPJMESA-N	410.340	5.221	30	20	HKED	
CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726073824	HXNPYGOVKCMOCV-LOSJGSFVSA-N	411.505	5.120	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	727039820	ZZNYRHCMKOTHLR-CYBMUJFWSA-N	413.911	5.394	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(/C)c3ccccc3OC)n2)cc1	727631195	BDUKNOJBZGZZLQ-LJQBUTKESA-N	404.491	5.107	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	727842305	LWUQCENWRDSXOB-QGZVFWFLSA-N	419.456	5.081	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1nc(-c2ccccc2)cs1)C(=O)c1ccccc1	727974416	KKACALWARHTDJR-ZHZULCJRSA-N	411.486	5.110	30	20	HKED	
N#CCn1c(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cc2ccccc21	729769040	LYYQZPFZBIVTKW-UHFFFAOYSA-N	419.484	5.222	30	20	HKED	
Cn1c(CC(=NOCc2cc(-c3ccccc3)on2)c2ccccc2)nc2ccccc21	730100544	OBSHWYZKTDOBMY-UHFFFAOYSA-N	422.488	5.392	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2o1	730689267	CYQSNQGIYJLPSB-ZHRRBRCNSA-N	404.372	5.103	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2ccccc2o1	730689953	NUHYCVODEKMRDA-LBPRGKRZSA-N	415.396	5.265	30	20	HKED	
O=C(O)CCOc1ccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cc1	731939473	YTGWXEOQMXXOAJ-SQFISAMPSA-N	423.465	5.015	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)Cc1ccc(OCC#N)cc1	731987493	LLCQQFWBGNDZGQ-IBGZPJMESA-N	400.478	5.219	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1	732593820	UDEKQCPRHGORCQ-ISJGIBHGSA-N	424.500	5.025	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2c(C)cc(C)cc2Cl)ccc1OC	733208491	CEXWVTXCWYUGQX-INIZCTEOSA-N	417.962	5.133	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1	741843091	YGWNTSGAQQCYFL-MDZDMXLPSA-N	401.434	5.010	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1)c1cccc(C#N)c1	743489883	HERMRFUPZRPGOC-ZWKOTPCHSA-N	401.535	5.387	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)ccc3N(C)C(C)C)n2)cc1	744063219	ZDSAFYAZSYEZEQ-FQEVSTJZSA-N	419.550	5.462	30	20	HKED	
N#C[C@@]1(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCSC1	746017700	XLNTWIPFKLPECI-VWLOTQADSA-N	412.514	5.062	30	20	HKED	
COc1cc(C(C)=NNc2ccc(Cl)c(C(=O)O)c2)ccc1SC(F)F	746485155	RYGAJZOJFPHBJO-UHFFFAOYSA-N	400.834	5.198	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2cc(F)ccc12)c1nc(-c2c(F)cccc2F)cs1	749030217	WUBFUAZXQKGNFC-AWEZNQCLSA-N	412.392	5.393	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(Sc2ccncc2)cc1	749527644	UVRCQUXFTCPKGR-JOCHJYFZSA-N	404.491	5.113	30	20	HKED	
Cc1cc(C2=NNC(=Nc3ccccc3Cl)SC2)c(C)n1CC(F)(F)F	749967895	IRRYKSUFTPOPIM-UHFFFAOYSA-N	400.857	5.049	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F	750900398	NSIYEZKWZNDYQQ-KXFIGUGUSA-N	415.751	5.094	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)c1	752376259	NEBSBSBVUATVIG-UHFFFAOYSA-N	423.588	5.803	30	20	HKED	
Cc1nc2ccc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)cc2s1	754912072	STCWHZVTGMIONS-UHFFFAOYSA-N	416.531	5.234	30	20	HKED	
C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4ccccc4SCC#N)cc3)ccc2O1	757228646	GJHLXBHLEJWIHC-QGZVFWFLSA-N	414.530	5.223	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N	758121703	IGURWDWTDJNMTP-KBPBESRZSA-N	418.415	5.275	30	20	HKED	
CC(C)n1ncc2cc(CNc3ncc(Cc4ccc(C#N)cc4)s3)c(Cl)nc21	758449354	GRWHMLAPEBIARP-UHFFFAOYSA-N	422.945	5.197	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@H](CC(F)(F)F)C2)c1=S	766114265	BTODTKMEANSTBV-CYBMUJFWSA-N	416.900	5.152	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	766275842	QNYMKJMGDVVDIW-INIZCTEOSA-N	417.292	5.002	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1ccc(Br)cc1F	767735962	NQXDZACQVNFORY-FPYGCLRLSA-N	412.258	5.458	30	20	HKED	
Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1	767762266	HPRYYECXGDXDKB-CTNGQTDRSA-N	422.598	5.380	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cccc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1	770856905	AHHYREXJXQFAHN-HNNXBMFYSA-N	406.404	5.653	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CNc2ccc(OC(C)C)c(C#N)c2)cs1	779603995	QAERBWFAYKJMSG-UHFFFAOYSA-N	424.501	5.238	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(OCCc2ccccc2)c1	780499999	AOFCPDSVNUQOCO-GOSISDBHSA-N	401.466	5.243	30	20	HKED	
CCCOc1ccc2[nH]cc(C=Nn3c(S)nnc3CSc3ccccc3)c2c1	782245204	OYCXPMGKXFAAPA-UHFFFAOYSA-N	423.567	5.011	30	20	HKED	
Cc1ccc2cc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)ccc2n1	783512287	YRXYEEULBLHZKC-UHFFFAOYSA-N	409.518	5.050	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	789449146	CMBAJABTZQHTIF-UHFFFAOYSA-N	421.585	5.069	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C	789451062	SSYBMVYJNAWKEE-IBGZPJMESA-N	415.578	5.402	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OC(C)C)c1	789622707	XPWSLXVPQMXQAZ-QHCPKHFHSA-N	400.478	5.390	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(C)c(OC)c(Cl)c2)ccc1OC	796827241	SEAGIDDFHRDCJA-YJBOKZPZSA-N	402.922	5.197	30	20	HKED	
COc1ccc(-c2nc(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1	796976639	QJQZTSJDQQMWCT-UITAMQMPSA-N	400.843	5.276	30	20	HKED	
C[C@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797570753	JWNMUKWRNGJQIR-DOMZBBRYSA-N	405.361	5.258	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	797613972	PIPIYBHVQGHJKZ-XZOQPEGZSA-N	413.525	5.318	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c(Cl)c1	798013881	QEHBJPJCMIGAOG-ZUZCIYMTSA-N	400.092	5.458	30	20	HKED	
Cc1ccccc1[C@]1(F)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	800519035	IWKVHIBEBSJODG-OZXSUGGESA-N	413.496	5.753	30	20	HKED	
C=CCN(C(=O)c1cc(C(=O)OC)ccc1Cl)c1nc(-c2ccccc2)cs1	812829176	NYHXDEMPWOZIAM-UHFFFAOYSA-N	412.898	5.083	30	20	HKED	
O=C(Nc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)c(C(F)(F)F)c1)C1CC1	897108735	RZSJHLLLXGYUPH-UHFFFAOYSA-N	424.291	5.362	30	20	HKED	
C=CCOc1c(Br)cc(CNc2ccc(OC)cc2OC)cc1OCC	916839014	MXWGQMVORFDVRM-UHFFFAOYSA-N	422.319	5.042	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C	916906561	DPVJFEVQSOOWQE-YAOQVBECSA-N	424.500	5.765	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc(-c2ccccc2)cs1	917026501	FVAAGVYTBHUGJL-GOSISDBHSA-N	418.905	5.872	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917027096	WOJQUXCWMYBKKM-OAQYLSRUSA-N	416.546	5.848	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2c2cccc(F)c2)c1=S	917486352	NCRNRMQLHGJNBQ-NRFANRHFSA-N	408.546	5.125	30	20	HKED	
N#Cc1ccccc1NC(=S)N(Cc1ccccn1)c1ccc(Br)cc1	917587867	PEXACHRXKFHHGG-UHFFFAOYSA-N	423.339	5.119	30	20	HKED	
O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc(-c2ccc(C(=O)O)o2)cc1	920065904	MKMSZYBQQGQLMN-WAYWQWQTSA-N	407.472	5.726	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920141469	OILZOOPZWAYUHI-OXQOHEQNSA-N	415.518	5.451	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc4ccccc4c3)n2)cc1	920143484	WSRWYXOVXIAOKP-JOCHJYFZSA-N	407.498	5.644	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1nc(-c2c(F)cccc2F)cs1	920806622	MRMBEMFITAYNKS-GRYCIOLGSA-N	414.399	5.633	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1	1786246149	TWERNKZTNLYCIQ-INIZCTEOSA-N	404.501	5.158	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(C)c4[nH]3)CCC2)cc1	1791583450	ATGKGUQCDDDRRV-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)cc2)n[nH]1	1820597384	YYYHQXRKFQLFDA-FQEVSTJZSA-N	408.546	5.016	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c1	5641780	WENYTHDDUJUVHZ-JOCHJYFZSA-N	401.535	5.659	30	20	HKED	
COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)n2CC(C)C)cc1	7425526	NQZONQOJJZABAA-OAQYLSRUSA-N	406.555	5.145	30	20	HKED	
Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1	11153647	FRMANLZUCXBZQC-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1sc2c(c1C#N)CCC2	24012918	IRBNPOIWHSVDSR-LBPRGKRZSA-N	411.577	5.351	30	20	HKED	
CCSc1nnc(/N=C(\O)c2sc(-c3ccco3)nc2-c2ccccc2)s1	29643171	WIBAAQDLLKCIFN-UHFFFAOYSA-N	414.537	5.670	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nnc(-c2cccs2)o1	32786734	RDPOLFJRTKKOGU-AWEZNQCLSA-N	409.540	5.020	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	53997832	PTAWASVQQKPIEG-UHFFFAOYSA-N	416.525	5.152	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl	56478731	ROURSBHWLSBEAV-UHFFFAOYSA-N	418.678	5.106	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1C#N	58492444	VSTBVINTSNMWGW-UHFFFAOYSA-N	406.338	5.132	30	20	HKED	
N#Cc1ccc(NC(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)cc1	195709573	GTPJZICGJYYIFC-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	303037733	VLSFARAJKMPUDT-QGZVFWFLSA-N	411.461	6.322	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	303245644	AOXPYECAZDEZIJ-AWEZNQCLSA-N	411.914	5.428	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1	303292617	BCKIVGOSDCQTDY-QFIPXVFZSA-N	421.541	5.259	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1	303407163	SSCOWCIXIDUGLT-LJQANCHMSA-N	415.562	5.256	30	20	HKED	
CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cn1	426134356	UAOWWIMLHGACQY-UHFFFAOYSA-N	422.872	5.119	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1c(F)cc(Br)cc1F)c1ccccc1	432981070	ZSPNMTASZWXSRD-INIZCTEOSA-N	408.246	5.284	30	20	HKED	
CN(Cc1cc(F)cc(F)c1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	434166726	FNTOLJUMCLWDTN-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCCO)Cc1cccc(Cl)c1	434221545	AEEAHCSZHIZYMA-MRXNPFEDSA-N	417.962	5.151	30	20	HKED	
O=C(NCC#Cc1ccccc1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	435850346	DVRKCUPCVNYKJB-QGZVFWFLSA-N	414.349	5.050	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1	438498254	UIBSUCSRXBIKQR-UHFFFAOYSA-N	405.498	5.694	30	20	HKED	
CN(CCOc1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438644347	AFGWJPPUOWCBMS-UHFFFAOYSA-N	423.419	5.171	30	20	HKED	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CCC#N)c2ccccc2)c1	439669014	BPNKTVAGJUEKCZ-LJQANCHMSA-N	412.921	5.035	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(F)c1Br	443528746	FPONOLJXRXTBBD-UHFFFAOYSA-N	408.246	5.043	30	20	HKED	
C=CC[C@@H]1N(C(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)CCCC1(C)C	444631349	LGPGUCWKVLMONX-FQEVSTJZSA-N	416.924	5.336	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@](C)(C#N)C(C)(C)C	464169589	ONOIXFXSFYRYSS-ZUOKHONESA-N	405.951	5.061	30	20	HKED	
CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	465664848	UBFOYYVYNQBMMZ-DKTYTTGXSA-N	419.525	5.138	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466919010	XCBJFOYQHXNVCS-OCCSQVGLSA-N	423.376	5.039	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1	467814331	VWSMPRYBVMVXBT-INIZCTEOSA-N	414.937	5.060	30	20	HKED	
Cc1cc(C)c2c(c1)[C@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCO2	469178453	HYNCDGNLCMXQPI-JOCHJYFZSA-N	403.526	5.212	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1	470073579	OKQNNAPEPRLMMQ-QUCCMNQESA-N	404.963	5.328	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(F)(F)F	470630128	XWUQPAIAEZKLMV-IBGZPJMESA-N	405.420	5.040	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1	471265554	BTTLAKZEAXEDLQ-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)cc1F	471635717	PCPDMEGIJNQFSN-UHFFFAOYSA-N	420.831	5.805	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2cc(-c3ccccc3)oc2C1	473627856	HOCQWYCFSYABFQ-QGZVFWFLSA-N	417.534	5.789	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@]4(C3)OCc3ccccc34)c2)cc1	473664197	FYTRVJZOBNEUBJ-VWLOTQADSA-N	411.461	5.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1	476134310	FJBHXFFBNFYOJB-UHFFFAOYSA-N	416.999	6.558	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)nc2ccccc21	477842709	QLDWLSKNYYZXJN-OAHLLOKOSA-N	407.882	5.461	30	20	HKED	
COc1ccc(CSCCC(=O)Nc2sc3c(c2C#N)CCC3)cc1Cl	478600058	XDGYDLCGYLJCRN-UHFFFAOYSA-N	406.960	5.032	30	20	HKED	
CC1(C)CN(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)CC[C@H]1C(F)(F)F	478872299	WHCCOBMHWAYLAM-CHWSQXEVSA-N	400.338	5.049	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(N2CCSCC2)cc1C)c1ccc(F)c(F)c1	480640260	HEEPRGXLMCVZLR-OAQYLSRUSA-N	417.525	5.265	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3cccs3)cc2F)c1	481592284	AXSGLCFUKSZBFK-FQEVSTJZSA-N	421.497	5.707	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	482012735	DXPAZYXBDUTBTE-QRWLVFNGSA-N	402.416	5.348	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	482522540	CPXUGFFNPVGPEC-UHFFFAOYSA-N	417.465	5.046	30	20	HKED	
CC(C)c1c(NC(=O)c2cccc(SCC#N)c2)cnn1-c1ccc(Cl)cc1	482714101	BUVINGFJZIQJTQ-UHFFFAOYSA-N	410.930	5.517	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C	485452213	FZFGITZGARSGCC-UHFFFAOYSA-N	402.519	5.778	30	20	HKED	
N#CCCC[C@H](NC(=O)c1sc2ccccc2c1Br)c1ccccc1	487508445	ZSPBZEOYQDUPGI-INIZCTEOSA-N	413.340	5.829	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	488405679	UPZVECXECGHBTK-HKBOAZHASA-N	415.459	5.031	30	20	HKED	
C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1	491198235	ZMIPCYOCYGTOCK-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
O=C(Nc1ccc(CCC(F)(F)F)cc1)Nc1cc(F)c(OC(F)F)cc1F	491456491	FNTVUSCSMMRXMP-UHFFFAOYSA-N	410.289	5.705	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1	501670069	DYKSBKPRYXFEHA-UHFFFAOYSA-N	412.896	5.012	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCC[C@H]2OC(F)F)cc1Cl	502175430	VVSLYXNTVCSBRW-BHIYHBOVSA-N	419.859	5.277	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1	503555636	JTWHJXQDQROJDT-JOCHJYFZSA-N	421.481	5.964	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1	506530625	NOBZTQBRXIIJRD-UHFFFAOYSA-N	411.505	5.110	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	508602500	DYRBREYMRITARE-SFHVURJKSA-N	418.566	5.591	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N)c1ccc(F)cc1	510184659	XTCIWYMZYUEMCS-JKSUJKDBSA-N	405.498	5.117	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@H](c1ccc(Cl)cc1)c1ccccn1	512330007	VFLPTHBTKJMZBK-OAQYLSRUSA-N	410.304	5.512	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1C#N	513270041	YSKFHKYWPNHWKN-UHFFFAOYSA-N	401.491	5.194	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1	515956414	BNZAQQVMJLGROO-UHFFFAOYSA-N	406.507	5.002	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cnn1-c1cccc(Cl)c1	517303520	ACBIBLSAAQWWIC-GFCCVEGCSA-N	410.930	5.144	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1SCCC#N)c1ccc(Cl)c(Cl)c1	518140410	OTGDHNLXWNPMBS-ZDUSSCGKSA-N	408.354	5.288	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OCC	518779451	SAFGOLCGULROGK-HNNXBMFYSA-N	415.331	5.135	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3N3CCCCC3)c2)c1	522307319	MZSSIWJOIGEPKH-UHFFFAOYSA-N	411.505	5.380	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2c(F)cccc2F)n1	522370355	QSXDVDTXURBYLB-UHFFFAOYSA-N	411.477	5.258	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1	522843551	ZCONETFTQGTUNR-HZPDHXFCSA-N	413.974	6.492	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	523614621	HVCXKZXBSFMBIN-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1	525024532	VKVDALNFHNLGBM-RBBKRZOGSA-N	418.443	5.352	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1c(Cl)cccc1Cl	533250601	ZULMJDKVLQWEEH-CQSZACIVSA-N	422.381	5.316	30	20	HKED	
C=C[C@@H](CC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1	535437478	YJXXGJHDDARNIJ-IBGZPJMESA-N	402.469	5.054	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1	537928248	JVBTZCDEABKJMC-HYBUGGRVSA-N	413.477	5.250	30	20	HKED	
Cc1ccnc(Oc2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)cc2)n1	540861579	INSKXZMPUIWGMW-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
N#C[C@@H](C(=O)c1ncccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	543576846	MUZIZBMCXVDELV-LBPRGKRZSA-N	407.804	5.367	30	20	HKED	
Cc1cc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1	544012503	AFPRZKKQOWZZOL-NSHDSACASA-N	420.231	5.054	30	20	HKED	
C=C(C)[C@@H](Cc1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1)OCC	546320079	AXUYIZMVFQXOPU-HSZRJFAPSA-N	414.509	5.172	30	20	HKED	
CC(=O)N(c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C	554847702	CDUIWEMGCQJMMR-GOSISDBHSA-N	418.566	5.475	30	20	HKED	
C=CCN(Cc1nc(O)c2c(-c3ccccc3)csc2n1)Cc1ccccc1F	557593934	GJPZDGXPHPKLCT-UHFFFAOYSA-N	405.498	5.391	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(SC)cc2)ns1	563915768	MKERMJZCYVMVFS-UHFFFAOYSA-N	423.567	5.243	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12)C(F)(F)F	576496328	YIISWSCYAFLOHD-OAHLLOKOSA-N	415.415	5.527	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)CCCCCC#N)n(-c2ccc(C)cc2)n1	588342341	OCCSPWNNMGLBBY-UHFFFAOYSA-N	402.498	5.269	30	20	HKED	
C=C(C)COc1cccc(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)c1	589382592	GVZDGKLRHHQTSM-UHFFFAOYSA-N	403.438	5.009	30	20	HKED	
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	590257914	QFNOOHMDUMDPGA-BPUDTRNYSA-N	410.533	5.859	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1	595236103	XCBVDGSNGSICCX-RPBOFIJWSA-N	410.517	5.396	30	20	HKED	
COc1ccccc1OCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603673164	BIUCVHFNKSVMBE-LJQANCHMSA-N	406.869	5.022	30	20	HKED	
COc1ccc(C)cc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603758785	HNNGPXYROOCERA-OAQYLSRUSA-N	404.897	5.494	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1	603895586	VTEGFUFHJYPWNP-KRWDZBQOSA-N	405.523	5.109	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(F)cc(Br)c1	603968971	QAUVFVAXYPAFFY-UHFFFAOYSA-N	401.260	5.441	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1	608945626	SRPNZCRNBYUGTR-FQEVSTJZSA-N	418.484	5.564	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cn1	609370766	XARCKILHHKDIAA-GFCCVEGCSA-N	411.474	5.083	30	20	HKED	
CN(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cccc(Cl)c1	609549790	KKGJIVAYUNOKFZ-HSZRJFAPSA-N	419.912	5.032	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)C1CCC(C)CC1	609576585	RPHVMGOYQSUTJT-ZJPVZLNISA-N	419.569	5.201	30	20	HKED	
CN1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c2cc(F)ccc21	610118385	AFXRDJBTVPJTRP-UHFFFAOYSA-N	419.431	5.115	30	20	HKED	
C[C@@H](NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cccc(C#N)c1	610362793	HGSCGMNBHCTHBV-QRQCRPRQSA-N	408.860	5.348	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cc1	611048510	VJRNGDRCGFVIRG-OAQYLSRUSA-N	417.440	5.477	30	20	HKED	
N#Cc1cc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)ccc1F	612539107	QQVPDXCJLXRQQL-INIZCTEOSA-N	401.201	5.243	30	20	HKED	
C=CCn1c(SCC(=O)N(C(C)C)C2CCCC2)nnc1-c1ccc(Cl)cc1	613929937	ZSJOLPGSKKGKQB-UHFFFAOYSA-N	418.994	5.056	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc(C#N)c(Cl)c1	619764918	NOLRIIMYRHJLFL-UHFFFAOYSA-N	419.790	5.124	30	20	HKED	
C=CCN(C(=O)CCCc1nc2ccccc2s1)c1nc(-c2ccccc2)cs1	641900630	LJPPSWOICUGSMB-UHFFFAOYSA-N	419.575	5.962	30	20	HKED	
C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1N(C)C	675738570	PVHTVUSGXIKCQN-NMKXLXIOSA-N	400.382	5.452	30	20	HKED	
N#Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl	681721549	WKCCJCDWIBZEIZ-LBPRGKRZSA-N	405.788	5.330	30	20	HKED	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	682199037	ZKWKRAIHVBPQFZ-RKDXNWHRSA-N	411.239	5.047	30	20	HKED	
CC(=O)Nc1ccc(C(C)=NOCc2csc(Cc3ccc(Cl)cc3)n2)cc1	725791618	FCSRKPBAZCSMES-UHFFFAOYSA-N	413.930	5.287	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc(Cl)nc3)cc2Cl)cc1	727076981	ACEVQQGVQPLZNK-UHFFFAOYSA-N	415.305	5.861	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	727223927	BPEUWOFHTYALGL-UHFFFAOYSA-N	410.949	5.644	30	20	HKED	
CC(=O)c1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	727978639	KWMRMUHQQWOHKW-UHFFFAOYSA-N	415.518	5.457	30	20	HKED	
O=C1/C(=C\c2nccn2CC(F)(F)F)CCc2nc(-c3ccc(Cl)cc3)sc21	728699844	XEMMBLLUINTLIC-XFXZXTDPSA-N	423.847	5.435	30	20	HKED	
CO[C@@](C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	730398178	GACCNZOWMXPMQS-AUUYWEPGSA-N	404.413	5.053	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730422224	QUIJOAUGTGQSRP-CQSZACIVSA-N	410.861	5.073	30	20	HKED	
CN(C)C(=O)Sc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	731416724	YBRRAVCQZWNZAY-UHFFFAOYSA-N	417.490	5.377	30	20	HKED	
CC(C)c1ccc(C=NOCc2nc(-c3cc(Br)cs3)no2)cc1	736296636	KYLLERHKYIARQC-UHFFFAOYSA-N	406.305	5.235	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3nc(C(F)(F)F)cs3)c2)s1	740022238	HKSCQHRQBIPXSH-UHFFFAOYSA-N	408.430	5.084	30	20	HKED	
O=C(/C=C/c1ccccc1OC(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1	741447099	HQQUPEXQCORRGE-SDNWHVSQSA-N	424.440	5.198	30	20	HKED	
N#Cc1c(SCc2nnc(-c3cccc(F)c3)o2)nc2c(c1-c1ccco1)CCC2	741853704	GZXFKIGMXKTMOU-UHFFFAOYSA-N	418.453	5.183	30	20	HKED	
C=CCn1c(C)nn(CN(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)c1=S	742158345	GCKZZSMDYJSQGR-UHFFFAOYSA-N	422.598	5.452	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1	743229365	PXCYCSUWQDHHRG-JKSUJKDBSA-N	408.502	5.027	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F	744026432	XVUXAICIBQZJHQ-TYZQSYOASA-N	406.791	5.110	30	20	HKED	
CCOC(=O)CCOc1ccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)cc1	745020553	LORVTRGWKBHNRE-YVMONPNESA-N	413.520	5.100	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1	749114110	SSSQOSGOPXAFLQ-UHFFFAOYSA-N	408.479	5.087	30	20	HKED	
CC(C)[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Cl)c1	750689897	NAGSPGRWAQGIOW-QAPCUYQASA-N	401.844	5.701	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nc2ccccc2[nH]1	751823846	UWERAQBKKNGJST-OAHLLOKOSA-N	406.898	5.123	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1	752164538	NFHFJHPFXPEQLT-TZZQJPOUSA-N	415.905	5.901	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c(Sc2ccccc2)n1	764302626	QZAJBAFUFABXTD-UHFFFAOYSA-N	424.869	5.227	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c(F)c2)cc1	764304708	DSLDZLLOZMYPRP-UHFFFAOYSA-N	409.804	5.487	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c(F)cccc1F	764567851	ZOEDSUPWNAUWOO-FZMZJTMJSA-N	402.853	5.722	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNCc1cnc2ccccc2c1	764789294	PZEHGDHILHMKCA-UHFFFAOYSA-N	410.308	5.159	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1	771837613	KZXWKKWNHBFECX-UHFFFAOYSA-N	412.521	5.488	30	20	HKED	
N#CCOc1cccc(CC(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1	773842311	LQOUPMWYLBXHEL-HXUWFJFHSA-N	422.834	5.071	30	20	HKED	
Cc1ccc(N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Br	775955887	IBICQKCFZODQMD-UHFFFAOYSA-N	422.282	5.093	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1	776518755	WOFZOXUNVRQIHO-LJQANCHMSA-N	416.477	5.430	30	20	HKED	
C#CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)s1)c1ccccc1	784399306	YQTVDPQQKYYFTE-HZPDHXFCSA-N	403.345	5.122	30	20	HKED	
CCCn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc2ccccc21	786931617	YGABTYMWTOQFHQ-HNNXBMFYSA-N	414.292	5.319	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nccc2ccccc12	792100980	NCUGVAPPIVAQCU-WBMJQRKESA-N	401.318	5.899	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1nc2ccccc2s1	796752497	IAZNHRVJVMDOMM-AWEZNQCLSA-N	415.287	5.106	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C	798052837	BPJISQBSZPWQKM-UHFFFAOYSA-N	417.490	5.449	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	799718787	NVTBVYJGKQAYQA-LBPRGKRZSA-N	400.265	5.532	30	20	HKED	
C=CCn1c(=S)n(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)c2ccccc21	808241741	XKDFSVIAARIHPJ-IBGZPJMESA-N	409.559	5.193	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nc(Cl)c(C#N)s3)cccc2c1=O	813370545	WSLMJKPGRNOJPY-UHFFFAOYSA-N	421.865	5.002	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2ccccc12	916918094	LSLWIHHKYAXPSM-GOSISDBHSA-N	411.288	5.427	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(Cl)cccc2s1	916928546	NPJZQGVITVDBBT-LLVKDONJSA-N	423.708	5.823	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(Cl)cc3)n2)cc1	916972179	KMBFZDMLODISAZ-SFHVURJKSA-N	412.967	5.882	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N(C)Cc2ccc(C#N)cc2)cc1	918543001	CMDXKEWUYHWHFY-UHFFFAOYSA-N	417.534	5.268	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(C)n(C2CCCCC2)c1C	920105788	MAOWQAGJGZICKA-OAQYLSRUSA-N	401.510	5.605	30	20	HKED	
CC[C@@H](OC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1c(Cl)cccc1Cl	1355413205	RTTCPFLTCDVITO-QGZVFWFLSA-N	407.297	5.210	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)[nH]n3)cc2)CCC1	1790126496	JOOPFJHHMUZCTB-UHFFFAOYSA-N	420.557	5.049	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3)CCC2)cc1)C(F)(F)F	1791304466	AVXURIYRMLFMSM-UHFFFAOYSA-N	422.834	5.206	30	20	HKED	
C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1822581783	YDZOSNVCESDAPZ-QFIPXVFZSA-N	420.557	5.033	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCCC2)CC1	1829065803	CIBCULUSSJOXFS-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc(OC)c1OC	6580469	DNKVOGNSQYSZRO-BUHFOSPRSA-N	404.462	5.188	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2cccc(C)c2)c1	11162421	VFQVESDWPNXQTE-UHFFFAOYSA-O	403.571	5.567	30	20	HKED	
OC1=Nc2ccc(Cl)cc2/C1=N\Nc1ncnc2scc(-c3ccc(F)cc3)c12	19332464	JIEYECWDLYAMKI-UHFFFAOYSA-N	423.860	5.569	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1ccc(Cc2ccccc2)cc1	22804211	HWRAHTFZOMPGOS-UHFFFAOYSA-O	417.598	5.120	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	41534079	HDGZRLSAKHJICY-AWEZNQCLSA-N	407.545	5.794	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OC1CCCC1	49330562	PRSIJZIYEOWXAH-IAGOWNOFSA-N	407.514	5.010	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	51156492	QZFXABRYLGKOET-QGZVFWFLSA-N	409.898	5.302	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccco1	60156869	RAADTJOXDDNOFD-FQEVSTJZSA-N	419.550	5.115	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1F	97543254	DISZTCNFLMZQAE-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1	115762739	FJFAGCFTWHWQTJ-UHFFFAOYSA-N	420.490	5.097	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	205566813	FMZVHYHKJNZVNG-SSZFMOIBSA-N	405.457	5.338	30	20	HKED	
COc1cc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)ccc1OCC#N	210928036	PFBANCLUYVJRPS-SSZFMOIBSA-N	408.479	5.003	30	20	HKED	
Cc1ccc([C@@H](Nc2ccc(C#N)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1	301421300	CWFKUCOUVINLFC-JOCHJYFZSA-N	410.926	5.125	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c2ccccc21	410195698	LRHSJXOMHZFQLH-UHFFFAOYSA-N	423.919	5.699	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CNc2ccc(-c3ccncc3)c(C)c2)ccc1Cl	427405043	LTVXJTXYKSYMAM-UHFFFAOYSA-N	418.928	5.378	30	20	HKED	
CCN(CCC#N)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	429050070	WYIHYRQFXKSWBN-UHFFFAOYSA-N	419.407	5.117	30	20	HKED	
C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1OCCc2sccc21	429122082	JHYDSLRFAQUSEM-DVECYGJZSA-N	402.563	5.240	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	429372936	PCCXJZYJXLYFJB-BXUZGUMPSA-N	417.943	5.426	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c(Cl)c1	431558375	RQPWORWRNGHAFW-UHFFFAOYSA-N	413.811	5.051	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccccc1	432676563	OPXVXXRLTZGFRZ-HSZRJFAPSA-N	400.482	5.217	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)Nc2cc(C#N)ccn2)cc1	436009068	CQSLWSXPVKWTPQ-UHFFFAOYSA-N	410.502	5.233	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	437805932	BVLNYHMHAQWMBI-CRFBAAHOSA-N	419.978	5.113	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	438662349	XPQCEAWUIKHVHC-IBGZPJMESA-N	411.477	5.303	30	20	HKED	
CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1cccc(C(F)(F)F)c1	441292199	YGHAKPIDLWKUDU-AWEZNQCLSA-N	400.404	5.210	30	20	HKED	
Cc1c(Br)cccc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	442861653	DOEPJWDSYAOTGD-INIZCTEOSA-N	422.307	5.243	30	20	HKED	
Clc1cccc(C#CCSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1	448106250	CBTSNBBXKJXMME-UHFFFAOYSA-N	416.937	5.186	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	463970099	LBSSLYMVWUVQNZ-WMZOPIPTSA-N	409.555	5.331	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc(F)c(OC(F)F)cc1F	468219963	DZAASTWATXOEOE-UHFFFAOYSA-N	416.330	5.482	30	20	HKED	
C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cn1)c1ccc(-c2cccc(C#N)c2)cc1	469480545	WCJYTWGTYLVZMA-MRXNPFEDSA-N	417.896	5.114	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)n1	470096600	ZGZNXOYRIFYHME-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cnc3ccccc3c2)cc1	470834737	VYQBYVPENGISCO-UHFFFAOYSA-N	421.500	5.451	30	20	HKED	
Cc1ccc([C@H]2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c(C)c1	471001547	QDJXZNLMCKBDFG-UXHICEINSA-N	407.583	5.126	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccnc1Oc1cccc(OC)c1	472003561	UGBYKEKYETVTFH-UHFFFAOYSA-N	417.509	5.170	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	472816357	UXQXNXZCVHNNJQ-HKUYNNGSSA-N	404.491	5.046	30	20	HKED	
CCCOc1cc(OC)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	474970904	NCLNBXFJZPJJLT-LJQANCHMSA-N	422.506	5.106	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1ccc(Cl)cc1F	475344308	VNJQRLMKXCHHJX-UHFFFAOYSA-N	423.875	5.763	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	476134774	FLPDFBFULZXTPI-UHFFFAOYSA-N	410.517	6.241	30	20	HKED	
COC[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	476340793	WYWPXHYWDFOLGA-GOSISDBHSA-N	413.688	5.098	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	478367605	GZHNONJZCKFCFW-HNNXBMFYSA-N	400.400	5.206	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1	481432721	IDAXWJUMABEXNU-UHFFFAOYSA-N	424.500	5.368	30	20	HKED	
Cn1c([C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)nc2ccccc21	481928072	QJSHTPJJTBQZRW-OZXSUGGESA-N	406.533	5.592	30	20	HKED	
C[C@@H](c1ccccc1)N(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CC1	482312356	KYQHMRTVFIPPCK-SFHVURJKSA-N	416.525	5.027	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482392857	DRODMKFFBLSMKG-XXFAHNHDSA-N	408.317	5.249	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(COc2ccccc2Cl)n1C1CC1	483150398	BIPMZRVBSJRVFJ-UHFFFAOYSA-N	414.893	5.148	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Br	484264551	ODBMMXBKXNEGAZ-KBPBESRZSA-N	419.344	5.249	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)c1nc2c(s1)CCCC2	487084798	GUJIVCHDADIUIJ-INIZCTEOSA-N	406.551	5.506	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	488064580	MKDSFMOZQHIDFK-HNNXBMFYSA-N	409.383	5.604	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccccc1	488361896	DDPVBOFWRVMYEE-OAHLLOKOSA-N	401.944	5.641	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1)c1ccccc1	488691313	YZVWDCVLBSDERS-QFIPXVFZSA-N	402.494	5.358	30	20	HKED	
CC(C)(C)c1nnsc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	489129986	JJMSTZQUHHRNOW-MRXNPFEDSA-N	410.930	5.397	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3cccc(Cl)c3)o2)cc1	489787926	OVUBCBMOGCUQSF-CYBMUJFWSA-N	400.887	5.318	30	20	HKED	
CN(Cc1cc(Br)ccc1Cl)C(=O)N[C@H](CCC#N)c1ccccc1	494818048	BIHWJCLXYHWZFL-GOSISDBHSA-N	420.738	5.289	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(C(F)(F)F)cn1	495299183	LKNDCKVNCLSUPK-CQSZACIVSA-N	424.300	5.869	30	20	HKED	
N#CC1(F)CCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1	497694866	CQLHXLJXJJIBBW-GOSISDBHSA-N	406.288	5.120	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1	501019421	IUCNYDRRQLQNSX-UHFFFAOYSA-N	421.456	5.251	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501425480	RTJFOQCNBJOKSF-QGZVFWFLSA-N	420.896	5.391	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(-c2ccco2)s1	504687284	OWXJAUXFBGMWHE-UHFFFAOYSA-N	421.291	5.133	30	20	HKED	
COc1ccc(N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)c(OC)c1	505138587	FIAGENJETRQRFI-UHFFFAOYSA-N	404.491	5.003	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C)Oc1ccccc1	506725182	ORFHCGOBYHXAAK-SFHVURJKSA-N	401.466	5.248	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NS(=O)(=O)Cc2cccc(C#N)c2)c2cccs2)cc1	507383852	RUNQHAOQCDSJAO-HXOBKFHXSA-N	424.591	5.342	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl	508861988	IVTLCGCCWPRLFT-UHFFFAOYSA-N	421.831	5.535	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccco2)cc1	510518214	CTJQOXBUKPQOTG-QHCPKHFHSA-N	415.493	5.005	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(OCc3cscn3)c2)sc2c1CCCCC2	514844700	WJLNXIQARHKXFC-UHFFFAOYSA-N	409.536	5.176	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C	518038243	VTMKFSOSYPFDLB-UHFFFAOYSA-N	415.518	5.370	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cc(F)ccc1F	520666909	UBUHXFXTUYEJCT-OAQYLSRUSA-N	408.408	5.297	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12	521326033	DEALGKJQDJCMII-INIZCTEOSA-N	400.503	6.161	30	20	HKED	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1SC[C@H](C)C#N	522596969	PGBDBUHVSGOLME-QAPCUYQASA-N	401.963	5.735	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1	522862063	ZVIJJBSQPOJHQK-UHFFFAOYSA-N	422.513	5.727	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2Cl)c1	524119935	SIGSRVKDSRHFTR-UHFFFAOYSA-N	418.840	5.026	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(Cl)c1Cl	524572573	GWLFVZYKPXBRRQ-ZENOOKHLSA-N	413.226	5.497	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1	525564584	JXDDREYAIFTAPE-KRWDZBQOSA-N	419.550	5.298	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)s2)cs1	531228268	SVZWQLGKZCVTSG-UYAOXDASSA-N	422.579	5.161	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)cc1Cl	534162400	LPLDYDRHLAKUIL-FQEVSTJZSA-N	424.909	5.279	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N[C@](C)(C#N)CCc3ccccc3)cc2)cc1	536310830	MEYDADUNJMGOOG-SANMLTNESA-N	412.489	5.326	30	20	HKED	
CC(C)c1ccccc1NC(=O)C[C@H](C)NC1CCC(Oc2ccccc2C#N)CC1	536867555	DMIPLQWAHJOGMR-KPQWGBOZSA-N	419.569	5.379	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3ccc(Br)cc3)C3CCC3)o2)c1	539278760	GEBITIJTEFWUGN-HXUWFJFHSA-N	423.314	5.002	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3ccccc3)[C@@H]3CCCc4ccccc43)o2)cc1	539324998	LEGCCFYRTUTCKL-AOYPEHQESA-N	420.516	5.559	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1ccc(F)c(C#N)c1	539957734	ZYTSSXONNJUSSZ-BOPFTXTBSA-N	413.477	5.389	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c1	540579406	QBECRQQJHUORLO-HXUWFJFHSA-N	422.868	5.027	30	20	HKED	
N#C[C@H](C(=O)c1ccn(Cc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1	541018792	HKUGWABAZXZVSU-QGZVFWFLSA-N	419.456	5.428	30	20	HKED	
CCOc1cccc2cc([C@H](C)NCC(=O)N(CCC#N)c3cccc(C)c3C)oc12	542586667	HIOPULGJZZYONM-IBGZPJMESA-N	419.525	5.046	30	20	HKED	
Cc1onc(-c2ccccn2)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543857208	YSEJAPOTMQDTJY-INIZCTEOSA-N	408.461	5.075	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4cccs4)o3)n2)cc1	543984646	PAWJZCZRIUHUHR-OAHLLOKOSA-N	401.472	5.493	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CC1	548883300	GNLNPNPSLHEIMQ-UHFFFAOYSA-N	423.925	5.177	30	20	HKED	
Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(C)C	549446599	OQOLQOVQEZCAMR-QGZVFWFLSA-N	415.969	5.084	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccccc3CC#N)c3cnn(C(C)C)c3n2)s1	550086659	WOUPLCRBPCHTDU-UHFFFAOYSA-N	415.522	5.368	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	564478882	FWCKZQNQRBDMJH-UHFFFAOYSA-N	423.504	5.550	30	20	HKED	
CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCOC(C)(C)C1	570975036	DXNUCPKMTJFJOL-JOCHJYFZSA-N	421.541	5.143	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	573160617	PEWXINROJQPAGF-GHMZBOCLSA-N	407.285	5.327	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)N[C@H](C)c2cccc(C#N)c2)cc1OC	580590073	PLSUSSAUJNVPBN-DVECYGJZSA-N	400.522	5.519	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1F	582456254	IYBRKUHUHLENOL-UHFFFAOYSA-N	422.287	5.217	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCC(=O)N(CCCC)[C@H]2c2ccc(OC)cc2)n1	584009116	ZKONFDLEMICBKZ-CTNGQTDRSA-N	411.546	5.179	30	20	HKED	
N#Cc1c(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2cc(Cl)ccn12	587165230	YPMAIESHVIBDIX-RKDXNWHRSA-N	410.749	5.181	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)[nH]c12	605363334	UWZVOXSQBZQUEV-HXUWFJFHSA-N	415.880	5.594	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(F)c4)C3)cc2)cc1	608995797	HXTICYWJHJCUBV-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)c1C#N	609032593	RYNKMENBFWVTCN-UHFFFAOYSA-N	418.444	5.256	30	20	HKED	
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609054347	DFFUWEVROXYHOP-UHFFFAOYSA-N	404.466	5.289	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4cccc(F)c4)C3)c2)cc1	609208763	JWEMCTROTQFGPW-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1	609297213	TWOIITNZDPLWTF-UHFFFAOYSA-N	414.436	5.125	30	20	HKED	
Cc1cccc(C)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609378315	CPTAOCIDRJPUCR-UHFFFAOYSA-N	408.445	5.346	30	20	HKED	
CCOCc1ccccc1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434486	QAUVESOWMNCBPY-UHFFFAOYSA-N	401.466	5.209	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	609976385	LANFZEULAOOGFI-UYAOXDASSA-N	400.478	5.057	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1	611212614	JTERIWYOYYRFJQ-INIZCTEOSA-N	415.540	5.699	30	20	HKED	
COc1ccc(C#N)cc1CN[C@H](CC(F)(F)F)c1ccc(Br)cc1	612538942	DEWFZHGBEHZGLE-MRXNPFEDSA-N	413.237	5.113	30	20	HKED	
COc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613347033	VNQPJNNMVZXWLJ-AWEZNQCLSA-N	403.290	5.616	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccncc2)nc2scc(-c3ccccc3)c2c1=O	619950053	BSJUPLZCVQOHEA-OAHLLOKOSA-N	405.548	5.559	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1Oc1cccnc1)c1nc2cc(Cl)ccc2s1	623036512	RXZJQXRCFAEEGK-INIZCTEOSA-N	405.866	5.627	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(C#N)c(C(F)(F)F)c1	726426427	YOBQTUKHOJLLQK-UHFFFAOYSA-N	403.795	5.171	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1Cl	727626957	JMOYVSAXZUTHFO-BDJZEXMMSA-N	407.684	5.398	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)ccc1OCC#N	727655019	RLVGRICZQGNGMW-UXBLZVDNSA-N	404.491	5.234	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	727706159	IIZLHFRBCYOGAU-UHFFFAOYSA-N	417.421	5.096	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1cc2cnn(C(C)C)c2nc1Cl	727781754	WGLKTJPEUXWRBM-MDZDMXLPSA-N	422.941	5.994	30	20	HKED	
Cc1nc(CCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)oc1-c1ccccc1	730395148	BXORVCRIZJLBIO-OAQYLSRUSA-N	423.472	5.083	30	20	HKED	
CO[C@@](C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	730398190	GACCNZOWMXPMQS-IFXJQAMLSA-N	404.413	5.053	30	20	HKED	
CC(=O)c1ccc(N2CCC(OC(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1	730415284	LOQVTBIJPBTPCT-UHFFFAOYSA-N	424.500	5.254	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	730920364	LFAUYJLZIZAPCU-RBZQAINGSA-N	410.517	5.416	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1-c1ccc(C#N)cc1	731349797	SEKPLSGDQXNHCP-KRWDZBQOSA-N	414.534	5.612	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)c1	733801312	WJDWPPIWJUYDTG-GOSISDBHSA-N	403.309	5.240	30	20	HKED	
CC[C@H](NC(=S)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1cccs1	734371973	CENXGYNLVJVLID-IBGZPJMESA-N	407.564	6.158	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	734388236	FNMKYOYZPIUVPS-UHFFFAOYSA-N	417.387	5.126	30	20	HKED	
C=CC[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccncc1	734509612	MKLKTDJALVJLTM-FQEVSTJZSA-N	409.873	5.843	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccncc1	734663444	MPLVWMZNZKDILT-GOTSBHOMSA-N	407.464	5.260	30	20	HKED	
COc1cc(Br)c(/C=C/C(=O)c2ccc(SC(F)F)cc2)cc1O	734980091	HEOXETFQZDOBJD-QPJJXVBHSA-N	415.255	5.374	30	20	HKED	
C=CCN(C(=O)Cc1cc(-c2ccccc2)on1)c1nc(-c2ccccc2)cs1	735806423	VIKDVCLSSVDLCB-UHFFFAOYSA-N	401.491	5.227	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cncc(F)c1	737443884	LYWKGXAGZSKFOI-QPJJXVBHSA-N	415.251	5.676	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	739156835	QWJBEBVWUOBADO-IUODEOHRSA-N	421.369	5.820	30	20	HKED	
C=CCCCCCN(C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl	739655559	UOGVENBCHSALST-UHFFFAOYSA-N	417.287	5.027	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc(C)c(F)c(C)c2)cs1	741468802	YJUSOJFEEWJZOD-RMKNXTFCSA-N	412.461	5.619	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(Br)cc2Cl)cc(OC)c1OC	742429375	OCQUPJXAWRNYBL-ALCCZGGFSA-N	411.679	5.024	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1ccc(F)cc1	743095154	GPIPMILSFLONBD-SBUREZEXSA-N	403.457	5.070	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@]12CCc1ccccc12)c1nc(-c2c(F)cccc2F)cs1	744074234	KBLDDQGHZGKDGF-SWHMAYCHSA-N	406.457	5.169	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)COc2ccccc2OCc2ccccc2)n1	747197512	GLVUVVJTZMLATF-SFHVURJKSA-N	406.507	5.101	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)[C@H](C)C2)cc1C	747972392	YVSPEVVQGOMBDJ-FXAWDEMLSA-N	422.598	5.298	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(SC(=O)N(C)C)cc1	753061452	RJBBEMBFVYJHOT-UHFFFAOYSA-N	424.595	5.121	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccc(F)cc1OCC#N)C1CC1	761665559	URPVTTJFKCVSOA-CYBMUJFWSA-N	421.394	5.504	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2cccc(C(=O)N[C@H](C)CC)c2)cc1	765031463	STVASWULPBBVGV-MSOLQXFVSA-N	400.950	5.197	30	20	HKED	
Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1[C@@H]1CCO[C@H](C2CC2)C1	771901480	BDGCRURVVLKSNY-NQIIRXRSSA-N	420.538	5.056	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(C#N)cc3F)s2)cc1	772805413	GXXMSXOKWZYFOM-YBEGLDIGSA-N	412.877	5.100	30	20	HKED	
COc1ccc(-c2ccncc2)cc1CNCc1cccc(-c2ccc(C#N)s2)c1	775311544	WBNROBGMXJHZEY-UHFFFAOYSA-N	411.530	5.647	30	20	HKED	
Cc1nc([C@H](C)OC(=O)c2ccc(C3(C#N)CC3)cc2)oc1-c1ccc(Cl)cc1	777176941	RCTABNTUAKRXFJ-HNNXBMFYSA-N	406.869	5.777	30	20	HKED	
C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1	778416238	GHXTUTLZMMWAID-OAQYLSRUSA-N	424.497	5.370	30	20	HKED	
CC(=O)N1C/C(=C\c2cccc(OCc3ccccc3F)c2)C(=O)c2ccccc2C1	778520396	VWOINTUOKKPBBE-LPYMAVHISA-N	415.464	5.033	30	20	HKED	
C[C@@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	801700049	FJQQZIIQFCIMNP-RDDDGLTNSA-N	400.319	5.069	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1coc2ccc(C(C)C)cc12	805855482	JNIUMQGWDCOMRS-FQEVSTJZSA-N	402.494	5.642	30	20	HKED	
CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813218693	RSCUMGCQXUJITK-HNNXBMFYSA-N	414.349	5.564	30	20	HKED	
CC(C)Cc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916886326	FRFGEDQSIYHHOQ-IBGZPJMESA-N	416.493	5.090	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cnc(-c4ccccc4)nc3)c12	917142865	BEXGVGAMWIDDLX-YPKPFQOOSA-N	419.488	5.137	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nn(CN(CC)C2CCCC2)c1=S	917462562	KXYARAXLKLRFJT-UHFFFAOYSA-N	406.983	5.054	30	20	HKED	
COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)cc(Br)c1OC(F)F	921269069	JAGGAJVLZHYQPO-AWNIVKPZSA-N	409.226	5.190	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)on3)cc2)CCC1	1787545837	GMFMJWCLMRVGSI-FQEVSTJZSA-N	421.541	5.314	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccccc45)CCC3)cc2)CCC1	1792230423	LXQQYDFZNXECHC-UHFFFAOYSA-N	423.516	5.281	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(CC)CCC2)CC1	1828475344	KNZHYEMUAQZHBR-OAQYLSRUSA-N	402.623	5.179	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831793676	IAPCLTSNRGRBJB-PKTZIBPZSA-N	414.634	5.345	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccccc1	7148671	VRBWNVAKKDDGMY-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
N#Cc1ccc(CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)c(F)c1	11541359	JRQIWUXLYWREBU-UHFFFAOYSA-N	411.458	5.094	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccco1	32330529	GCGAEDASWJVLKV-KRWDZBQOSA-N	416.934	5.133	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1cnn(-c2ccc(F)cc2)c1C	72040182	QKKSIKUYNQBWEK-BUHFOSPRSA-N	400.457	5.018	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2nc(Cl)ccc2Cl)cc1	108012514	FCIBYOJQOKFRHF-UHFFFAOYSA-N	414.267	5.242	30	20	HKED	
C=CCn1c(SCc2nc(C)c(C)o2)nc2sc(-c3ccccc3)c(C)c2c1=O	115813070	ZCVKPNMAGXMVGE-UHFFFAOYSA-N	423.563	5.517	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](COc2ccccc2F)c2ccccc2)cc1	237207938	NLECAECHMLJTCI-DEOSSOPVSA-N	403.501	5.085	30	20	HKED	
N#Cc1cccc(-c2cc(-c3nc(-c4ccc(Oc5ccccc5)nc4)no3)on2)c1	432650932	BZKKVBCYLIPMBW-UHFFFAOYSA-N	407.389	5.118	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccc(F)cc1	435190389	FOUXDKYINGHDOT-UHFFFAOYSA-N	419.525	5.082	30	20	HKED	
N#Cc1csc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1	437331475	IJWVEWRASBLPPI-UHFFFAOYSA-N	404.520	5.356	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)s1	438061439	AWRNLCGRSDZCRW-DZGCQCFKSA-N	402.589	5.491	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCC2(CCOCC2)CC1	438474345	HKAHEIJVHMQHCA-UHFFFAOYSA-N	406.551	5.179	30	20	HKED	
CCc1nc(CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)sc1C	438667709	LCLQUXGNPSXDNJ-UHFFFAOYSA-N	424.501	5.181	30	20	HKED	
CCCc1c(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cnn1-c1cccc(C#N)c1	439685123	XTUMKSLDEXUULP-INIZCTEOSA-N	403.486	5.047	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(Nc3ncnc4sc5ccccc5c34)ccc21	440639434	LKRWMSXLAWOLFC-UHFFFAOYSA-N	413.506	5.171	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)ccc1C#N	440801518	ASQBNRCHRLWJCY-SFHVURJKSA-N	402.494	5.005	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1cc(Cl)cc(Cl)c1	443834454	IMVZDUGTZFCBJK-UHFFFAOYSA-N	401.249	5.070	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	446229503	UNWXJSHGWQAONT-FQEVSTJZSA-N	419.447	5.430	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(C#N)c1	462036130	DVXMJMQOMPRSIR-MRXNPFEDSA-N	415.880	5.405	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	463295467	KWUOQKLAJBIGMM-INIZCTEOSA-N	421.522	5.138	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)s2)cc1	463743619	HTBRTTGKHYJAQB-INIZCTEOSA-N	418.305	5.120	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CCc1ccc(C#N)cc1	464240685	DRWNPDIFPFAUBU-UHFFFAOYSA-N	417.896	5.344	30	20	HKED	
Cc1nc2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)ccc2n1-c1ccccc1	464471908	CEZVOCGHODZYEU-GOSISDBHSA-N	420.394	5.238	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	465855003	NEMQSCPWSVJEPP-NHCUHLMSSA-N	416.550	5.100	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1	466607036	CBCHQVBAHHZAKY-IBGZPJMESA-N	412.921	5.567	30	20	HKED	
CC(C)n1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	469123077	YUUZPRMJBMBYJP-AWEZNQCLSA-N	405.310	5.384	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OCCF)c2)cc1	470716060	KTSLXBWLQPBZSE-UHFFFAOYSA-N	406.482	5.451	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1C	473951950	UTYGUHSHBWOODH-CYBMUJFWSA-N	419.337	5.464	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccccc1	477164852	NXAGYXAHEXWMBN-ZDUSSCGKSA-N	400.866	5.024	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1c[nH]cc1-c1ccc(Cl)s1	477247767	IQYACQJQTJQCAF-UHFFFAOYSA-N	408.832	5.197	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(C)c1	479193834	SALUIPPQQUENHF-KPQWGBOZSA-N	405.542	5.268	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1ccc(C#N)cc1	482517847	DCYYRYAFKQMMMN-UHFFFAOYSA-N	415.493	5.203	30	20	HKED	
C=CCN(C(=O)c1coc2cc(F)ccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	483093821	CHWJHBSJDSHQQV-UHFFFAOYSA-N	423.425	5.436	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1cnc2ccccc2n1	483201434	MVQAAKDOAKOJTJ-KRWDZBQOSA-N	401.372	5.190	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	483437411	JKJPRCHKSHIMRS-UHFFFAOYSA-N	409.445	5.531	30	20	HKED	
CC(C)c1c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1	485140735	XTWGALLOQTVZST-HNNXBMFYSA-N	407.905	5.403	30	20	HKED	
N#Cc1cn(CCc2ccc3ccccc3c2)c2ccc(Br)cc2c1=O	485270571	GAMMUFSURMFYQW-UHFFFAOYSA-N	403.279	5.032	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(C(F)F)sc2c1	493009039	LVDFSPCBLDGOCD-UHFFFAOYSA-N	418.425	5.362	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](Cc1ccccc1)c1sccc1C	497818563	VVILUZBWAPAASQ-QFIPXVFZSA-N	424.566	5.214	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccccc1CCC(F)(F)F	500247585	YUWANZNMJNKIHC-UHFFFAOYSA-N	423.328	5.904	30	20	HKED	
COc1cc(C(=O)NCCCCC#N)ccc1OCc1ccc(Cl)cc1Cl	505047156	CLPIMZJPELIOGX-UHFFFAOYSA-N	407.297	5.005	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F)c1cccc(Cl)c1Cl	505345792	UJKRTQXDHSXDPI-YDHLFZDLSA-N	411.235	5.079	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	505966483	RISXLOGNSLYVMD-KRWDZBQOSA-N	401.413	5.132	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1Cl	510003990	CCNDQARHFALUAK-JOCHJYFZSA-N	416.912	5.587	30	20	HKED	
CCOCc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	510718038	MRSBGQGEOVNBEK-UHFFFAOYSA-N	415.493	5.517	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)ccc1Cl	513468643	ISPZQDLVQITXSW-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(COCc4ccccc4)cc3)CC2)c1	513478839	GFWDAMRQRAZSJL-UHFFFAOYSA-N	400.453	5.084	30	20	HKED	
C=CCN(C(=O)c1ccc(C)nc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	518170318	WJTKSCZIUIJEDV-UHFFFAOYSA-N	411.530	6.013	30	20	HKED	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518906119	XWNXKQRSEXLCAR-HXUWFJFHSA-N	401.466	5.091	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(CCc3ccc(F)cc3)C3CC3)c2)cc1	522579944	SHTOJKVDFHFWMR-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
N#Cc1ccc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(C(F)(F)F)c1	523111332	MPMDOBZDAKWUGB-HNNXBMFYSA-N	416.378	5.150	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)Cc1ccccc1F	524439363	UITVCTZIGXIKAH-SFHVURJKSA-N	417.484	5.338	30	20	HKED	
C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1Cl	527226673	FUALUNHKLAAWFX-AWEZNQCLSA-N	418.324	5.179	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)NC2CCN(C3CCCC3)CC2)cc1Cl	534209144	IDBUWJNVJXLULE-UHFFFAOYSA-N	423.944	5.141	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C(F)(F)F)cc1	536839312	OVILOAMHOFRSOA-IERDGZPVSA-N	400.448	5.644	30	20	HKED	
CC(C)(C)c1cc(NC(=O)Cc2ccc(OCc3ccccn3)cc2)c(C#N)s1	536972563	CXEFUXZFUYGPLX-UHFFFAOYSA-N	405.523	5.072	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(C#N)c(Cl)c1	540273915	UDUOVVCXTCQIES-UHFFFAOYSA-N	415.880	5.329	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNc2ccc3cc(C#N)ccc3n2)on1	540872463	VJQIPSIGKYWTOE-UHFFFAOYSA-N	406.445	5.535	30	20	HKED	
COc1cccc2[nH]cc(Cc3noc(/C=C/c4cn(CCC#N)c5ccccc45)n3)c12	545020018	PUPBPUIRIPJHJJ-ZHACJKMWSA-N	423.476	5.189	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nc4c(s3)CSCC4)cc2)cc1	557520266	VEUDSKDHRDZRQU-UHFFFAOYSA-N	407.520	5.043	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(C)cc(Br)cc1C	558289969	UCKXGIVDTUUCGO-UHFFFAOYSA-N	419.367	5.454	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1	558750786	QYIJPAXKSIHLGE-UHFFFAOYSA-N	424.913	5.083	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCCOc1cccc(Cl)c1Cl)c1ccccc1	579910481	YLNCAKISALFBGU-QGZVFWFLSA-N	406.313	5.107	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1	581401432	IOWACFCCEODOEV-UHFFFAOYSA-N	409.555	5.063	30	20	HKED	
CN(C)Cc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	583907206	CLIOEFOEEZIAKM-QFIPXVFZSA-N	403.913	5.309	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl	584190530	HDKQMDWUHMYIGB-LBPRGKRZSA-N	415.292	5.067	30	20	HKED	
N#Cc1ccc2ncc(CN[C@H](c3ccc(Cl)cc3)c3ccccc3Cl)n2c1	585766546	PMMKLCCWEYTSGK-JOCHJYFZSA-N	407.304	5.392	30	20	HKED	
N#CCCCCCC(=O)NCc1ccc(Br)cc1Oc1ccccc1	588158179	KPIIQAVKCHJYBJ-UHFFFAOYSA-N	401.304	5.332	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c2ccccc21	590925723	BVLWSDMOMTUQTL-HXUWFJFHSA-N	410.521	5.099	30	20	HKED	
CCc1ccc(OCc2nnc(SCCCC#N)n2[C@H](C)c2ccccc2)cc1	592949563	JMVHEFQEUDHGIN-GOSISDBHSA-N	406.555	5.425	30	20	HKED	
C=CCc1cc(C(=O)Nc2cccc(-c3ccccc3OC)c2)cc(OC)c1OC	600372609	CJRSISXYESSCQA-UHFFFAOYSA-N	403.478	5.360	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1c[nH]c2ccccc12	603532857	ZWNNHPRYXAUJJD-UHFFFAOYSA-N	411.480	5.653	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)c(F)c1	604009693	MMXMBJNZMYERNZ-NRFANRHFSA-N	413.265	5.478	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cs2)cc1	604560238	ZBWSDFOABORJNK-GFCCVEGCSA-N	409.536	5.129	30	20	HKED	
CC[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1F	607252352	WEWMXNPFSNGFJT-ISTVAULSSA-N	418.328	5.188	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccco3)c3ccccc3C#N)o2)cc1	609056346	HSNIKBXSSOKHRT-UHFFFAOYSA-N	423.428	5.042	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1	609358779	YDGIZWOVIHCZJF-UHFFFAOYSA-N	404.948	5.134	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@H](c3ccccc3)C2)c1	609729563	KMJPBBRDAFSFGL-QHCPKHFHSA-N	418.880	5.218	30	20	HKED	
C[C@H](SCc1nc(-c2cc(Br)cs2)no1)c1ccc(C#N)cc1	609825660	KZJZPGHVCVRBIW-JTQLQIEISA-N	406.330	5.427	30	20	HKED	
C[C@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	609989451	DQKWOIGAHMXTCS-SJKOYZFVSA-N	414.349	5.599	30	20	HKED	
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc2ccccc2c1OC(F)F	610809977	WUXSFJRNPMTMCV-INIZCTEOSA-N	422.479	5.027	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)c1ccccc1	610973540	VBMUCPIVZZJALX-OAHLLOKOSA-N	410.674	5.408	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc2ncsc2c1	614423635	AALIHMWXKFPXER-CQSZACIVSA-N	415.478	5.238	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	618841019	OQDJPJWNKWNFDY-HRAATJIYSA-N	416.550	5.380	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(N=S3(=O)CCCC3)cc2)cc1OC	630061093	HXWWVUGOHQLJHA-UHFFFAOYSA-N	420.962	5.419	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccoc1C	639395036	UYGVDQGXRYVFBY-FQEVSTJZSA-N	424.570	5.405	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2c(C)cc(Br)cc2Cl)c(OC)c1	643199406	IBZVUBAHXTVLLP-UHFFFAOYSA-N	424.722	5.166	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(SC(F)F)cc2)c1	726496228	ZBPSSDCUKPLNOJ-UHFFFAOYSA-N	400.406	5.297	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2cccc(C)c2)c1	726572670	IEYTVPHJAYCQRA-UHFFFAOYSA-O	405.568	5.265	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccc3)nc2)CCc2nc(-c3ccc(F)cc3)sc21	727685220	DOBDKZIKKJCMFS-LDADJPATSA-N	413.477	5.619	30	20	HKED	
Cc1cccc(COc2ccc(C(=O)/C=C/c3nccn3CC(F)(F)F)cc2)c1	728697119	CXTKRXRKGBUABE-MDZDMXLPSA-N	400.400	5.229	30	20	HKED	
COc1ccc2oc(C(=O)/C=C/c3cccc(NC(=O)C(F)(F)F)c3)c(C)c2c1	729151761	XIGXTARZUCZHMO-SOFGYWHQSA-N	403.356	5.147	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	729176941	NVRFTHJBQHWCHF-XMMPIXPASA-N	411.505	5.076	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1csc2ccccc12	730060688	DONMHTPLBYJXPK-HTAPYJJXSA-N	411.530	6.439	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1csc2ccccc12	730060691	DONMHTPLBYJXPK-VGSWGCGISA-N	411.530	6.439	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1nc2ccccc2o1	730071104	FNQDQBOOLHIEPS-ZHRRBRCNSA-N	402.450	5.677	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)cc2)c1	733033907	RASYJXMHDWUBDA-HSZRJFAPSA-N	419.431	5.998	30	20	HKED	
C[C@H](Nc1ccc(OCC2CC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	733320623	AMCOOUZANXNVHI-HNNXBMFYSA-N	409.555	5.117	30	20	HKED	
Cc1ccccc1[C@H](C)CC(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	734909230	SSWDIXFJASOJMR-MSOLQXFVSA-N	410.539	5.065	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1C	734996369	LLJKDMDIJPUKGF-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nn(-c2ccccc2)c(=S)s1	735231038	NKRYNLNTJSGJCT-UHFFFAOYSA-N	405.957	5.511	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)Nc3nc4n(c3C#N)CCS4)sc2c1	735635744	QYWGQJCVBHXQFP-UHFFFAOYSA-N	402.932	5.104	30	20	HKED	
Cn1cc(/C=C\C(=O)c2c(Cl)nc3ccccn23)c(-c2cc3ccccc3o2)n1	737445633	CKIOSYVYXAJETN-KTKRTIGZSA-N	402.841	5.031	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1cccc(Cl)c1	743093284	QOQASEMKNSFGCS-HXOBKFHXSA-N	419.912	5.584	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1cccc(C#N)c1	743110750	SAWNRAPEURAEME-XJKSGUPXSA-N	420.365	5.727	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1Sc1ccccc1	743489879	HERMRFUPZRPGOC-MSOLQXFVSA-N	401.535	5.387	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	746436426	GOWLYHYRXVEYSN-HNNXBMFYSA-N	423.284	5.263	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccccn3)n2)CCc2nc(-c3ccccc3)sc21	747318026	CPYLMBARRQKFIY-QINSGFPZSA-N	401.516	5.541	30	20	HKED	
CC(=O)N(c1nc(/C=C2\CCc3c(Cl)sc(Cl)c3C2=O)cs1)C1CC1	760265840	WASUTWMKHPWQCO-RMKNXTFCSA-N	413.351	5.239	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)cc1	766400076	PDQWHTCGXNGZST-KRWDZBQOSA-N	415.802	5.662	30	20	HKED	
N#Cc1ccc(C2=CCN(Cn3nc(NC4CCCCC4)sc3=S)CC2)cc1	767987524	RBOMEJVHTCLZSL-UHFFFAOYSA-N	411.600	5.037	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1	777611231	DSMHDUGJYIGGQH-UHFFFAOYSA-N	403.791	5.108	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccccc2OC(F)F)cc1	788284992	MJBSJTDRPDVICW-OAQYLSRUSA-N	421.447	5.308	30	20	HKED	
O=C(O)[C@H]1CCC(=NNc2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21	789021318	VNXCCTJBBBZHCW-ZDUSSCGKSA-N	405.401	5.093	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)cn1	792874482	ZXWUTMKWAYZODV-MLPAPPSSSA-N	413.260	5.118	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806266357	XIDKGQKYEVMWLR-LLVKDONJSA-N	410.326	5.415	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	808816317	OBPGAAXQOZFKKO-XZOQPEGZSA-N	419.912	5.505	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccnc2)CCCC1)c1nc2cc(C(F)(F)F)ccc2s1	808978947	RIZLTZJTFSNAQZ-OAHLLOKOSA-N	415.440	5.398	30	20	HKED	
C[C@H](NCc1cc(C(F)(F)F)ccc1Br)c1ccc(OCC#N)cc1	810143295	DLFAUNBFWZLXJT-LBPRGKRZSA-N	413.237	5.221	30	20	HKED	
C=CCCCCCCCNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1	811590678	DYHQEKJIADGBGT-UHFFFAOYSA-N	406.570	5.335	30	20	HKED	
C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(C(F)(F)F)nc1Cl	820596824	WGOICMIYDWVRSR-VIFPVBQESA-N	421.766	5.255	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(F)cc2Br)cc1	914773834	ZXOIEKSKLWVLIS-UHFFFAOYSA-N	421.314	5.298	30	20	HKED	
Cc1nc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)sc1SCC#N	916089592	ISTZFGDVQROGTE-UHFFFAOYSA-N	406.492	5.128	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)NC1CCCCC1	916895956	YGOCVMRGEOKABC-NCUBBLFSSA-N	412.942	5.239	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3)n2)cc1	916914465	LSBYSWKQGBNNEM-IBGZPJMESA-N	403.507	5.114	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916927344	HSIKITVEHQDXAB-INIZCTEOSA-N	405.281	5.133	30	20	HKED	
N#C[C@H](C(=O)Cc1csc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	917042959	IJEBGVAPISWDBE-CQSZACIVSA-N	416.449	5.949	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4ccc(F)cc4c3C)n2)cc1	920142335	BSCLJTJLBXZLOE-QGZVFWFLSA-N	422.506	5.971	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)-c3ccccc3C4)n2)cc1	920143889	UIYYIVYLHFJQHW-HSZRJFAPSA-N	422.509	5.880	30	20	HKED	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1	1790764614	BFLLIRYABHFWEU-UHFFFAOYSA-N	419.500	5.191	30	20	HKED	
C=CCn1c(S[C@H]2CCCCC2=O)nc2sc(-c3ccccc3)c(C)c2c1=O	7575937	BWBGDQYMHBPWIE-KRWDZBQOSA-N	410.564	5.223	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)cc(Br)c1O	18065577	SAKQERJAEQDNRA-NSCUHMNNSA-N	408.100	5.428	30	20	HKED	
O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cc(F)c(F)c(F)c1F	29012977	SSAWOFYTRTXPMZ-UHFFFAOYSA-N	420.309	5.638	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2c[nH]c3ccccc23)cc1	55823610	ABLKJUUOAQTZRH-UHFFFAOYSA-N	409.489	5.384	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	57089793	FHVXZDJOWKRDRX-UHFFFAOYSA-N	413.477	5.218	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Cl	58989354	FLOCBNFPNIOJQY-FQEVSTJZSA-N	405.841	5.085	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCSc2ccccc21	60672252	FTPBZPOJSXAOCP-IBGZPJMESA-N	402.544	5.676	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc(Cl)s2)n1	303273823	IDDAZONOJXMYRS-NSHDSACASA-N	419.984	6.029	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1	303408065	SYSWHFJRNBLYJK-HJPURHCSSA-N	411.546	5.147	30	20	HKED	
Cc1c(-c2nc(CC(=O)Nc3cccc4ccccc34)no2)sc2ccc(C#N)cc12	426527113	VNEJPACXXLJTPP-UHFFFAOYSA-N	424.485	5.466	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1ccccc1	433179510	TWCSWJJZZCBUCR-MRXNPFEDSA-N	409.383	5.323	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccc(Cl)c(C#N)c1	436069285	JYPRUTLGUCEVOQ-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1sc(-c2ccccc2Br)nc1C	436296737	KUISAIVKGHCMJQ-YEWWUXTCSA-N	421.404	5.513	30	20	HKED	
CC(C)c1ccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c(C(C)C)c1	437070415	CAIBRPJUDQRHQZ-UHFFFAOYSA-N	407.514	5.193	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2o1	438050241	DDZDQBVMMQRPJR-WZONZLPQSA-N	408.498	5.027	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl	438067783	ARPFWPCACSXWGQ-HOTGVXAUSA-N	413.974	6.349	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1	438842248	RGVZVWSJYZGHBZ-DVECYGJZSA-N	414.509	5.066	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)N[C@H](CCC#N)c3ccccc3)ccc2C)c1	439382701	DJRFLABASYRFQM-OAQYLSRUSA-N	400.482	5.657	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1	439653579	YFUVXAVPLXTZEC-MRXNPFEDSA-N	421.349	5.293	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1(CCO)CCCCC1	440369986	YUYLGFOZULWGGP-UHFFFAOYSA-N	407.514	5.113	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1C1CC1	442199326	IMNOWAKELXKRAU-NSHDSACASA-N	407.396	5.146	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2)cn1	443883560	VGWVDHIPDGRPJE-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl	447131561	BLWXUXKLXDYLPD-MRXNPFEDSA-N	417.896	5.037	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H]2CC[C@H]1c1ccccc12	460586837	UESHWXKLGXHIST-OFNKIYASSA-N	400.526	5.010	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)C1(C#N)CCCC1	460645699	AYVHEVJSOBDEOB-UHFFFAOYSA-N	404.489	5.754	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	462036275	FTBWWVJWEMSCBZ-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
C=CCn1c(SCc2ccc(Br)cn2)nnc1-c1cccc(Cl)c1	463441273	HTUBKJCJEQMZDV-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
N#C[C@@H](C(=O)c1cccc2cccc(Br)c12)c1cc(C(F)(F)F)ccn1	464426153	IRTDAMIVBIJIIF-CQSZACIVSA-N	419.200	5.506	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1	464971521	HXQZJPVYZKCLKL-WIOPSUGQSA-N	412.489	5.167	30	20	HKED	
N#Cc1cccc(SCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1	468644020	WTESPMIITHBLAS-QFIPXVFZSA-N	411.530	5.080	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nc2ccccc2c1=O	468645719	RKTSIFWTUYFZFQ-MRXNPFEDSA-N	418.522	5.103	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ncoc1-c1ccc(F)cc1	471730954	YFBYQDPUMKXULM-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1	474426747	LKNQFRDKJCEMBW-SFHVURJKSA-N	423.969	5.743	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	474530415	FIJWUBMLYVUYJI-QHCPKHFHSA-N	421.928	5.231	30	20	HKED	
CC(C)(C#N)CCCSc1nnc(Cc2cccs2)n1CCc1ccccc1	475932571	OXGJVJQMXFHHCA-UHFFFAOYSA-N	410.612	5.595	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1	476051066	AEGZPZRZFMJTTN-UHFFFAOYSA-N	417.896	5.646	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](c1ccccc1)C1CCCC1	476370343	QOQZMYXUAZOYPS-HOYKHHGWSA-N	407.583	5.540	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	477775240	VDVIVFDYZDPEGU-UHFFFAOYSA-N	415.497	5.139	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1	479217373	OZWWAODSLDCLRJ-INIZCTEOSA-N	416.959	5.003	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1nnc(/C=C\c2ccco2)s1	479562721	LPXXUEBWSIKFKQ-QXMHVHEDSA-N	414.446	5.218	30	20	HKED	
CN(Cc1ccc(F)cc1Br)C(=O)Nc1ccc(C(C)(C)C#N)cc1	484271751	CKMQWFLKKJHFRK-UHFFFAOYSA-N	404.283	5.053	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(-c3ccccc3)no2)cc1	488012167	XKZGHFIGIZIUQI-UHFFFAOYSA-N	411.436	5.195	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cc(Cl)ccc1OC1CCCC1	488118609	AWUCOHSDLHBIGA-UHFFFAOYSA-N	415.946	5.328	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)c[nH]1	488933767	KVBUSFDWWVAHGI-UHFFFAOYSA-N	416.428	5.082	30	20	HKED	
CCC[C@H](CNC(=O)CSc1ccc(C#N)cn1)c1ccc(Cl)cc1Cl	498146743	QGFPRNVKCWGNFN-CQSZACIVSA-N	408.354	5.052	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c1	501825087	KIRLVXHEWAFUQZ-FQEVSTJZSA-N	418.522	5.110	30	20	HKED	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1Cl	505136448	NERAPWMSNQRLJW-ZDUSSCGKSA-N	420.315	5.098	30	20	HKED	
Cc1csc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	505449999	XZGJXNFTIPUBFN-LLVKDONJSA-N	409.323	5.128	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccccc3C(F)(F)F)n2)cc1	505469024	YSKQUSXDPFDHIM-CQSZACIVSA-N	401.413	5.383	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1coc(-c2c(F)cccc2F)n1	507625374	GOGSYAPTNSDVMC-UHFFFAOYSA-N	419.840	5.017	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1C	508192051	OCKZPSYYZODZSV-UHFFFAOYSA-N	419.222	5.150	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1	509951322	HKWPKLZJCCBDPC-CQSZACIVSA-N	416.868	5.161	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1	510063665	BECCPHMXHBQRBU-UHFFFAOYSA-N	413.477	5.426	30	20	HKED	
CCC[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	510232421	URVIKAGZBCTUOT-GOSISDBHSA-N	423.567	5.365	30	20	HKED	
Cc1ccc2oc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2n1	511937086	DMJHHUDVBZJCIC-UHFFFAOYSA-N	417.852	5.493	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccncc2)cs1	512964712	UIDQJJGFTBJAIU-GOSISDBHSA-N	419.437	5.006	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3ccccc3CC#N)cc12	516780543	LFZUOKGMUAAQHF-UHFFFAOYSA-N	406.898	5.367	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1	517472719	AJFRXJPOIICZDY-KBPBESRZSA-N	402.589	5.575	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)sc2C)cc1	518239389	ANYMXACQSKJLOB-OAHLLOKOSA-N	422.575	6.379	30	20	HKED	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	518259226	FQJGSHUPJQTCSJ-MRXNPFEDSA-N	412.515	5.432	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C)=C(c2ccco2)C1	518841302	NFGZERIPYYXJMY-QGZVFWFLSA-N	408.477	5.020	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1	519340848	JPSGAIZLUICEGG-UHFFFAOYSA-N	422.554	5.093	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1	519889261	DRBVYXUCGBGJKH-MRXNPFEDSA-N	401.457	5.088	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc2ccccc2c1)C1CC1	520198060	YXXWXHQWEYLWFG-SFHVURJKSA-N	415.562	6.431	30	20	HKED	
CCCN([C@@H](CC)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	521156291	YWOWUBWCSBJVII-SFHVURJKSA-N	410.461	5.129	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1NC(=O)C(C)(C)C	521972815	NMZQMAOOFCIFBJ-UHFFFAOYSA-N	411.505	5.771	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(Cc3ccccc3)s2)c1	523229336	GZACWIGUVBAOMV-UHFFFAOYSA-N	415.474	5.030	30	20	HKED	
Cc1ccc(-c2noc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)n2)cc1	525713773	OVTKPAGBMTWGEX-UHFFFAOYSA-N	400.413	5.460	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(C)n1[C@H]1CCC[C@H](C)C1	533887232	CSHUKJWKJREKMH-RDJZCZTQSA-N	416.616	5.347	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccccc1	534681687	LYVVUKDMFZBFHP-OFNKIYASSA-N	414.549	6.488	30	20	HKED	
N#CCC[C@@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccccc1	538427309	LJTSGEFNVDIKQU-HSZRJFAPSA-N	403.913	5.727	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)cc1Cl	538602424	RGTRLBXPFBHBAB-HXUWFJFHSA-N	410.901	5.035	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CCN2CCC(C)CC2)c1	538774160	WWPMBZBSASDVIN-UHFFFAOYSA-N	416.569	5.053	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c(C#N)c2)c1)c1ccccc1	541630466	OHKLSFVBYSPKKH-UHFFFAOYSA-N	424.287	5.394	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cc(C#N)cn1C(C)(C)C	542005706	GGOAGHCCXUNSFO-UHFFFAOYSA-N	416.403	5.349	30	20	HKED	
C=CCN(C(=O)c1ccc(Cl)c(C#N)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	543442943	LJFWAAHODVPXGK-UHFFFAOYSA-N	424.869	5.076	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(CSCc4ccccc4)no3)cc2)nc1	545741391	DCEPLQARMAWFER-UHFFFAOYSA-N	400.463	5.229	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cccc1-c1ncco1	553056040	NZHFPDVQTAPWKZ-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
CCc1ccc([C@@H]2CCCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)C2)cc1	553252705	XLHQOCRBUUKVJT-HSZRJFAPSA-N	412.537	5.046	30	20	HKED	
N#CCc1cccc(C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1	553323963	DDZDXJZHBYFVDP-HSZRJFAPSA-N	404.897	5.094	30	20	HKED	
FC(F)(F)C[C@H](N[C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	554089344	VGVVRLBJGUWNMF-RWMBFGLXSA-N	409.292	5.398	30	20	HKED	
COc1ccc(CN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)C2CC2)c(OC)c1	555186304	RHADQZKHQSOWCJ-MBSDFSHPSA-N	421.541	5.059	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(Br)cc(C(F)(F)F)c3)[nH]c12	559388435	WJRRCUHYRSHMTN-ZDUSSCGKSA-N	422.204	5.143	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	562109258	SPJCEXQXNBNIAG-HSZRJFAPSA-N	414.465	5.123	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccccc1OC	563780811	OAGLDNMSIJPYLS-LAUBAEHRSA-N	422.504	5.093	30	20	HKED	
COC(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1Cl	565082640	JGMDHKOJKULEFG-UHFFFAOYSA-N	406.825	5.043	30	20	HKED	
CC[C@](C)(C#N)c1nc(-c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)no1	570364348	UYZLLXQAIMASRT-XMMPIXPASA-N	418.497	5.034	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	585765207	LKCKHNHLGRVOJL-XZOQPEGZSA-N	414.471	5.712	30	20	HKED	
C[C@@H](NC(=O)CCCCCC#N)c1nc(-c2ccc(Br)cc2)cs1	588161664	GVLUIYRLDBQLIN-CYBMUJFWSA-N	406.349	5.224	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1	603727199	GZXHJPYLPVJCSE-UHFFFAOYSA-N	421.503	5.407	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(COc2ccc(Cl)cc2Cl)o1	604491179	VVJXKTAPMKHBPV-CQSZACIVSA-N	406.294	5.182	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609057976	RPIMIHGIIWFCKP-UHFFFAOYSA-N	420.465	5.170	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ccc(Cl)s1	609060399	CUFFKYBSRXEWCL-UHFFFAOYSA-N	410.926	5.732	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1	609711721	NIIKGNBUOQCUJJ-NRFANRHFSA-N	414.465	5.081	30	20	HKED	
C[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(Cl)c1	610224945	NCPCSBQRVDKADV-HNNXBMFYSA-N	403.869	5.206	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1OCCC(C)C	610348495	FHTLNALGGLRWHK-ZWKOTPCHSA-N	409.530	5.113	30	20	HKED	
Cc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2Cc2ccco2)cc1	610863331	GKJCDMFWFOJMKD-OAQYLSRUSA-N	400.507	5.122	30	20	HKED	
CCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@H](C)c1ccc(C#N)cc1	611183833	OBJQEANQERNWID-CQSZACIVSA-N	411.477	5.843	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1	639431436	KOIKZZIVQLQUES-CYBMUJFWSA-N	404.491	5.459	30	20	HKED	
Cc1nc(CC2CC2)oc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	682766442	WDZMQXPANZYMPY-GFCCVEGCSA-N	405.401	5.054	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	684629705	CUXUIZDVMCKADS-INIZCTEOSA-N	401.853	5.596	30	20	HKED	
CC[C@H](C)n1c(SCC(=O)O[C@H](C)c2cccc(C#N)c2)nnc1-c1ccccc1	727636821	ZFQHINQKHDWLDM-DLBZAZTESA-N	420.538	5.184	30	20	HKED	
Cc1cc(-c2cc(C(=O)O[C@H](C)c3cccc(C#N)c3)c3c(C)noc3n2)c(C)o1	727640136	VWGAJJDXNQCLNQ-CQSZACIVSA-N	401.422	5.198	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3cn(C)nc3-c3ccncc3)s2)cc1	727654420	MKSDDBFNRQFICW-CMDGGOBGSA-N	400.507	5.119	30	20	HKED	
CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=S)Nc2ccccc2C#N)CC1	728176196	LHYODKCSWKFLPF-UHFFFAOYSA-N	407.539	5.065	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(O)c(C)c2)cs1)c1ccc(F)cc1F	728230157	ARTILTJWVKJZIG-VMPITWQZSA-N	414.433	5.016	30	20	HKED	
C#Cc1cccc(N(C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)C(C)C)c1	728247932	VTJSONLQVUMSCX-UHFFFAOYSA-N	408.505	5.155	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1F	730060919	LMGRBGCDRDVUPS-OAQYLSRUSA-N	403.457	5.202	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCn2c3ccccc3c3ccccc32)c1	733771547	OCJSBCDNNBBBBB-HXUWFJFHSA-N	411.505	5.182	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCc2cccc(F)c2)C2CC2)cc1	733842995	IESOCYZLYUFEFB-VWLOTQADSA-N	413.496	5.720	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)/C=C\c1ccnc2ccccc12	735433377	SICGXBIZHSCPSN-JYRVWZFOSA-N	405.457	5.859	30	20	HKED	
Cn1cc(/C=C/C(=O)c2c(Cl)nc3ccccn23)c(-c2cc3ccccc3o2)n1	737445635	CKIOSYVYXAJETN-MDZDMXLPSA-N	402.841	5.031	30	20	HKED	
CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739751903	RHJQVVWBSHRYAN-UHFFFAOYSA-N	417.534	5.201	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)CC2	741846429	AALVPHBMRPSSGU-AQTBWJFISA-N	417.892	5.813	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccccc2)CC(C)C)c1=S	746062032	SZJVDRHIHQYOFV-UHFFFAOYSA-N	422.598	5.391	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1	751099140	WBOQLLSXQUXUNR-URXFXBBRSA-N	403.526	5.119	30	20	HKED	
CCCCN(C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@@H](C)c1ccc(C)o1	752306541	YCVZOLXBJNHEPF-INIZCTEOSA-N	412.490	5.423	30	20	HKED	
Cc1csc(SCc2c(C(=O)OCc3ccnc(C#N)c3)oc3ccccc23)n1	754715381	PLWOIKMFEQIBRZ-UHFFFAOYSA-N	421.503	5.114	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1	754887907	QYUSWAOKESSESZ-DPLHUUCSSA-N	416.569	5.039	30	20	HKED	
N#Cc1ccccc1/C=C(\Cl)c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1	755581691	QDMCVWVIZDXEHE-SXGWCWSVSA-N	407.857	5.399	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	766274952	MYMJKYNVWMTPOQ-SFHVURJKSA-N	417.292	5.002	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NCc3cccc(OCCCC#N)c3)ccc21	770563916	RDWHFPQSPQAOKQ-UHFFFAOYSA-N	421.541	5.669	30	20	HKED	
COc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1NC(=O)C1CCCCC1	770582773	SMWIYWXVPIXLEN-KRWDZBQOSA-N	407.514	5.117	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(OC(F)F)c3cccnc23)cc1Cl	774227703	KNGDAXWHUOMIGW-UHFFFAOYSA-N	404.829	5.170	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S	774593103	YIRNOMVKLZYDNL-LJQANCHMSA-N	411.600	5.135	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3ccc(F)cc3C2=O)cs1	776193812	VLCQDKDOSWZGLJ-GDNBJRDFSA-N	410.445	5.318	30	20	HKED	
CN(C(=O)c1ccccc1OCC#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	776402395	VNGAAQZUZDOLCJ-MJGOQNOKSA-N	402.416	5.016	30	20	HKED	
Cc1c(C(=O)Nc2ccc(F)cc2OCC#N)oc2c(C)cc(Br)cc12	777738326	QNFFHKAIKZHAHY-UHFFFAOYSA-N	417.234	5.106	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)c1	778294132	HCWUYOVSMKSICS-FQEVSTJZSA-N	411.486	5.233	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	780980977	CJWILEGPQNBEOJ-PGRDOPGGSA-N	409.530	5.087	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1	784611322	DVRSGRBMNOXHTB-INIZCTEOSA-N	418.368	5.038	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1sc(C2CCCCC2)nc1C)c1ccccc1	787038632	OKTJUBKYVABBPQ-RTBURBONSA-N	409.555	5.089	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1	789452149	QRJPCPWXGSHPPI-HNNXBMFYSA-N	424.932	6.125	30	20	HKED	
N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Br)c1nc2cc(F)ccc2s1	790774151	YNJYHUVXFHGZKF-LBPRGKRZSA-N	423.694	5.270	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1	793977554	XWFNJSOTNNYEGW-RUZDIDTESA-N	424.544	5.251	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1coc2cc(F)ccc12	796631785	IUROSBRYKPQMTJ-GOSISDBHSA-N	414.392	5.325	30	20	HKED	
CC(=NNc1c(Br)cccc1Br)c1cnn(C(C)C)c1C	800818578	FGWRXXGOSQFAIZ-UHFFFAOYSA-N	414.145	5.134	30	20	HKED	
C[C@@H](OC(=O)CCCCCC#N)c1nc2cc(Cl)ccc2n1Cc1ccccc1	805697866	JFWIFEGHSGYECM-QGZVFWFLSA-N	409.917	5.816	30	20	HKED	
C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1Cl	820847197	UQRQAXFZXOHXEW-MRVPVSSYSA-N	400.725	5.763	30	20	HKED	
Cc1nc2ccccc2c(=O)n1N=Cc1ccc(-c2ccccc2Br)s1	912781229	ZXPBLFQAGKAFLA-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
COc1cccc(-c2nc(/C=C/C(=O)c3ccc(NC(=O)NC(C)C)cc3)cs2)c1	915114151	FPEMOVZSEYUJBL-VAWYXSNFSA-N	421.522	5.245	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(Cl)cc2Cl)cs1	916338436	MVBPURJVLRQOBA-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(Cl)cc(Cl)c1	916882996	DXNMYUROBDWURU-CQSZACIVSA-N	415.248	5.269	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2ccc(F)cc2)s1	916936401	JJTWIBIZTYNWKI-AWEZNQCLSA-N	416.836	5.308	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(F)c(Cl)c4)cc3c2C1	916937553	GAVZXUBAYPCUPY-PXAZEXFGSA-N	423.875	5.046	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1	917044541	TXIHQNMQTUUWTL-SFHVURJKSA-N	418.905	5.942	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1	920109823	JOVQPJVKZOUADR-JOCHJYFZSA-N	400.478	5.045	30	20	HKED	
Cc1ccc(N(C(=O)/C=C\c2ccccc2C#N)c2nc3ccccc3s2)c(C)c1	920752651	NWKDCEONURETSG-OWBHPGMISA-N	409.514	6.163	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)cc1Cl	1785946950	HRJDQWCFXDZMGT-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1	1790204939	NJWARZWWDWVHTF-UHFFFAOYSA-N	412.917	5.449	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc5nscc45)cc3)CCC2)C1	1790941391	VNMHJPWXISGXJX-UHFFFAOYSA-N	417.534	5.010	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCC4)CCC3)cc2)c1	1792122907	UVZPQRZEULHOGE-SFHVURJKSA-N	413.521	5.172	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CCCCCC(C)(C)C)C3)c1	1846828486	GNUMWNMFZYMFOH-FQEVSTJZSA-N	423.601	5.127	30	20	HKED	
O=C(O)C1(/N=C(\c2ccc(Br)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1	1857777149	YKXUGYSINCCLFZ-XBTDVOLZSA-N	418.718	5.313	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccc(OC)cc1	5855159	QMJNIMPTBOIPBG-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
C=CCn1c(SCc2ccc(OC)c(Br)c2)nnc1-c1ccccc1	7632575	BUYGWPWBYYTDTB-UHFFFAOYSA-N	416.344	5.195	30	20	HKED	
C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)N(CCC#N)c1ccccc1	7652890	HANLPYQSKAOYIT-CQSZACIVSA-N	412.898	5.047	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccccc2CC)c1	10174870	NYPKSAWUGWMENW-UHFFFAOYSA-O	423.627	5.828	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nc2ccccc2c1=O	15231256	OKBKXLBKCUUKAC-UHFFFAOYSA-N	421.547	5.007	30	20	HKED	
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1c(C(C)C)cccc1C(C)C	46418888	OTVGYTCUNFJKAW-UHFFFAOYSA-N	403.530	5.036	30	20	HKED	
O/C(=N\c1nnc(-c2ccco2)s1)c1cccnc1SCc1ccc(F)cc1	49616422	BCVFINYNEBUXCC-UHFFFAOYSA-N	412.471	5.261	30	20	HKED	
CCc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1cccc(Cl)c1	55570120	GDOOWONTLLTBLG-UHFFFAOYSA-N	408.889	5.023	30	20	HKED	
N#Cc1ccc(OCC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1	61967271	ILSYSHXSDDIQJA-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	64715259	JLHXUCUZHJRARF-ZDUSSCGKSA-N	414.481	5.147	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(C(C)(C)C)n1	97542492	ZPORMAWYMAXGTE-UHFFFAOYSA-N	419.550	5.381	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(c2ccccc2)c2nc(C)cs2)cc1OC	214285447	CIONIZPQPPOFEN-QBFSEMIESA-N	406.507	5.403	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1	303133134	PSRRVOQYODBSAW-UHFFFAOYSA-N	424.403	5.142	30	20	HKED	
CC[C@H](C)N(CC#Cc1ccc(C(F)(F)F)cc1)Cc1nc(O)c2ccccc2n1	427023639	RLFCRUQSHZLYJU-INIZCTEOSA-N	413.443	5.006	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccccc2CCC(F)(F)F)c1-c1ccccc1	428513452	DIEFVSSZVIUTFP-UHFFFAOYSA-N	412.415	5.211	30	20	HKED	
C[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1	436050654	OBHXUECFMPHDIQ-ULUNDTCASA-N	400.444	5.771	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(C3CCC3)cs2)cc1C	436176859	RPCWGFKNQQWARS-UHFFFAOYSA-N	405.527	5.057	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCc2cccs2)cc1	438216072	PLANFIKYNFFYCE-UHFFFAOYSA-N	407.495	5.127	30	20	HKED	
Cc1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCc3ccccc32)cc1	438760887	MMHQUVKNQUOGAF-RUZDIDTESA-N	420.516	5.606	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccc(C#N)c(Cl)c1	439139962	GXSLEQVHTDZNIG-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	439339041	HPRFMUNISPPWNU-FDDCHVKYSA-N	411.571	5.276	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1c[nH]nc1-c1nccs1	446122065	KLDCOHFGXFSBLD-UHFFFAOYSA-N	416.466	5.150	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cc2noc3ccccc23)c1	460341222	WBRKPEFNRYVOGQ-UHFFFAOYSA-N	401.853	5.129	30	20	HKED	
COc1ccc2sc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c(C)c2c1	461086779	XXDRKIFKBJYSNC-OAHLLOKOSA-N	405.306	5.520	30	20	HKED	
CCCN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	461532048	PYYUPJKSKBRWGJ-SANMLTNESA-N	415.512	5.362	30	20	HKED	
COc1cc(C[S@@](=O)[C@@H](C)c2cccc(C)c2)ccc1OCc1cccc(C#N)c1	462991734	OBBPUWDRUOPAMN-WWOZWPLTSA-N	419.546	5.464	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncccc1OCCCC#N	466604261	MKNACNXSJDFWEO-UHFFFAOYSA-N	420.435	5.225	30	20	HKED	
CN(CCC1CCOCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	467023272	LGQRLMNYRQMOEJ-NRFANRHFSA-N	411.933	5.276	30	20	HKED	
Cc1c(Br)ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1F	469324156	CMKBVUZZUGWSBM-NSHDSACASA-N	407.308	5.401	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2OCC(F)F)cc1	475410242	LQDSZXFPERTYIT-UHFFFAOYSA-N	408.404	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1	475568038	ZNTKTEAYMMUYPH-UHFFFAOYSA-N	419.613	5.914	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(I)ccc1C	476123023	NDYGMUAWGDVDHH-UHFFFAOYSA-N	419.306	5.704	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccco2)n1CC	476163981	RWFMMSIDMFFMAR-UHFFFAOYSA-N	410.543	5.141	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2ccccc2OC)cc1	479804703	NYOQPYZVENYRSF-UHFFFAOYSA-N	420.490	5.099	30	20	HKED	
Cc1ccc(-c2noc(CCCNc3ccccc3S[C@H](C)CC#N)n2)cc1F	480021146	NRTZCNNJHKTPKO-MRXNPFEDSA-N	410.518	5.623	30	20	HKED	
Cc1ccccc1-c1nnc(SC[C@@H](C#N)CCC#N)n1-c1ccc(Cl)cc1	480398199	YGQDBMPBMMHLDE-MRXNPFEDSA-N	407.930	5.432	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1C	481407908	ZTXNYUCLJADKHI-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1	481486758	SAFLJUDVWFVRSI-UHFFFAOYSA-N	402.800	5.054	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1	486255855	QLXAEQDKYVMXTC-UHFFFAOYSA-N	414.530	5.420	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)N[C@H](CCCC#N)c2ccccc2)c(Br)c1	487372807	OUUDEEFTHUSBAP-VQIMIIECSA-N	415.331	5.076	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)N[C@H](CCCC#N)c1ccccc1	487514640	NBFGHUXFOSOAJD-GOSISDBHSA-N	417.372	5.401	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1	487857636	PFTXSBKTDNIPOL-KBXCAEBGSA-N	408.468	5.130	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2cccc(CC#N)c2)c2ccc(C(F)(F)F)cc2)cc1	492044291	PGEQQSBKHCKVSP-QFIPXVFZSA-N	424.422	5.299	30	20	HKED	
N#CCCn1cc(CNCCC(c2ccccc2)c2ccccc2)c(-c2ccccc2)n1	499995806	GKRQZTPNDLYQCZ-UHFFFAOYSA-N	420.560	5.776	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC	505043575	FCRBWUKKYPAVLK-LJQANCHMSA-N	420.582	5.223	30	20	HKED	
N#C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccc(Cl)c1Cl	505317875	AMOXFHPABAFIIJ-QGZVFWFLSA-N	414.292	5.352	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	505351951	VNCWFJQVOLTFML-CQSZACIVSA-N	410.282	5.008	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1NC(=O)c1ccccc1F	505694668	OSUSOGCATXSPHA-NRFANRHFSA-N	421.859	5.035	30	20	HKED	
C=C(C)CCc1noc([C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)n1	508598156	FHYCRQSLHJOXQQ-QPPBQGQZSA-N	401.510	5.226	30	20	HKED	
Cc1ncc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1	509007916	VGJBAORKHZAZMM-CYBMUJFWSA-N	417.275	5.216	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510370289	XKXNUEMHXBWBET-HOTGVXAUSA-N	422.344	5.812	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	511082187	MESPJMULRBGYQG-KBXCAEBGSA-N	407.539	5.126	30	20	HKED	
CC(C)[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccccc2[nH]1	513102099	JRRKQIDYKVRAEZ-XMMPIXPASA-N	424.504	5.141	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nc2ccccc2s1	513676355	CWXCVNTUJKUMNU-IBGZPJMESA-N	421.481	6.108	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)N(C)Cc3ccc(C#N)cc3)s2)cc1Cl	514502984	SATNJTUDXLKQKK-UHFFFAOYSA-N	410.930	5.231	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1	517957015	DBOSVWAXPSDLHS-UHFFFAOYSA-N	400.482	5.068	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1OC(F)F	518147766	JCXOMIJKDUDMQO-UHFFFAOYSA-N	416.371	5.565	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl	518148643	YVXNCUPPJMBZLB-QWHCGFSZSA-N	408.354	5.684	30	20	HKED	
CCSCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	518516502	HLUAJHJHKHJSDT-IBGZPJMESA-N	403.532	5.425	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	518723463	BKIYSRAZAWXUBG-HNNXBMFYSA-N	417.431	5.332	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccc(C#N)cc1	519175999	NACWPJYFKFNFFP-JLTOFOAXSA-N	420.513	5.259	30	20	HKED	
Cc1cc(NC(=O)CCCCOc2cccc(C#N)c2)ccc1Oc1cccnc1	521092998	NRMXVAHZSCODJS-UHFFFAOYSA-N	401.466	5.242	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ncsc1C(F)(F)F	527179105	ZCIWRRIOUPQLJA-UHFFFAOYSA-N	420.281	5.077	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(c4ccc(O)cc4)CC3)cc2)cc1	533184870	JLGXUWGTFSSEJB-UHFFFAOYSA-N	412.489	5.270	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1	534257118	FRAGFJLDYNIBHI-UHFFFAOYSA-N	418.202	5.128	30	20	HKED	
COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	535599741	SAOCQUCQQBFZAX-MSOLQXFVSA-N	411.571	5.289	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCn1c(C2CC2)nc2ccccc21	537643471	WIIAVKMUCPPSLS-MRXNPFEDSA-N	404.539	5.194	30	20	HKED	
C=CCN(C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1)C1CC1	538980502	BKGYGFRSOKRUDC-UHFFFAOYSA-N	423.582	5.532	30	20	HKED	
CCOc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc(Cl)c1O	545168682	KMPYKWNYTJVRJN-UHFFFAOYSA-N	422.868	5.147	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCC(=O)c1ccc2ccccc2c1	553116007	LFEVTKNNPSVMAY-UHFFFAOYSA-N	403.526	5.185	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F	554339447	UOBHUCXFHKTCBY-VIFPVBQESA-N	408.317	5.164	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2cccc(F)c2Sc2ccccc2)CC1	554540095	PFXBSTOHWJSXLO-UHFFFAOYSA-N	417.509	5.069	30	20	HKED	
N#Cc1c(NC(=O)c2nc3ccccc3cc2Br)sc2c1CCCC2	554676044	QMLPAORTOAGEHU-UHFFFAOYSA-N	412.312	5.062	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1-c1ccccc1	561399578	ZVUAMJPNPZPNSQ-UHFFFAOYSA-N	423.448	5.263	30	20	HKED	
CN(C(=O)N[C@H](c1cc(F)ccc1F)C(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	576618273	NBADYGATRIWFPL-OLUVUFQESA-N	400.338	5.034	30	20	HKED	
COc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c(SC)cc1OC	577905191	NDHJWRUYHRICFN-UHFFFAOYSA-N	407.495	5.097	30	20	HKED	
C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1	579220422	AZIJDRQTTIKHCU-GOSISDBHSA-N	416.529	5.039	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3c(F)ccc(Br)c3F)c2C#N)C1	580399559	NOOCOOKODIHZSY-MRVPVSSYSA-N	411.271	5.038	30	20	HKED	
N#CCCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(F)cc1	584433138	LNTJKLHMORLQCT-UHFFFAOYSA-N	419.843	5.704	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3sc4cc(F)ccc4c3Cl)cc2)ccn1	589470646	BPDHEVWKXLANIL-UHFFFAOYSA-N	423.856	6.005	30	20	HKED	
C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1Cl	589633228	DDSLZFIZGQPKBQ-QFIPXVFZSA-N	405.885	5.067	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccccc3)cn2)c1	590107021	JSCSFGYNYAZBCM-QHCPKHFHSA-N	410.477	5.505	30	20	HKED	
CC1(C)CC(C)(C)c2cc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)ccc21	590298784	FNLMFVGBKGGJQE-JOCHJYFZSA-N	417.553	5.135	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(C)c1OC(F)F	594363165	MQLCFQYVMIXDIB-KRWDZBQOSA-N	423.444	5.390	30	20	HKED	
CC(C)(C#N)c1ccc(CNc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1	600848565	WNOYAWWZKGCKMA-UHFFFAOYSA-N	401.485	5.169	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)cc1	603950541	QTRPZPIKOCKLPR-JOCHJYFZSA-N	416.477	5.106	30	20	HKED	
N#C[C@H](C(=O)c1csc(Cc2ccccc2F)n1)c1nc2cc(F)ccc2s1	605257605	SQBNRSBHYZIVSN-CYBMUJFWSA-N	411.458	5.112	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c1	607633568	CLCZFPPWASXQSB-UHFFFAOYSA-N	401.894	5.077	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1	609046671	IQIFRVVLJIQUKF-FQEVSTJZSA-N	417.469	5.130	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccccc1C(C)C	609061666	GUJKHMOJROFPAZ-UHFFFAOYSA-N	414.505	5.587	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1	609188394	SXMSRVXMASFMAJ-UHFFFAOYSA-N	418.541	5.014	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(F)c(Br)c1	609427669	YUMYZJYLQFNTOU-GFCCVEGCSA-N	407.308	5.164	30	20	HKED	
Cc1cc(Cl)ccc1OCCCNC(=O)Nc1ccccc1S[C@H](C)CC#N	609435236	ZYSVZCSJSCADKP-MRXNPFEDSA-N	417.962	5.633	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1	609633563	CWXUAWGIPHKWQH-AWEZNQCLSA-N	416.403	5.611	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1F	610009832	RJERMZMXMLAQJA-IFXJQAMLSA-N	420.550	6.182	30	20	HKED	
C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(Cc2ccc(Cl)cc2)no1	610167328	DAJMXHVXIGBWRX-CYBMUJFWSA-N	410.930	5.313	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)c1cccc(C#N)c1	610770971	VYMKUFFDSJMDCU-HNNXBMFYSA-N	401.432	5.227	30	20	HKED	
N#CCC[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	610973807	YSHQAWLGOGOADO-FMKPAKJESA-N	421.385	5.240	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2cccs2)cc1	612056528	QFROPBKFJXTCPM-GAJHUEQPSA-N	424.591	5.342	30	20	HKED	
N#Cc1ccc(C[S@@](=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F	616181863	CZKIARUVTCIIAD-HHHXNRCGSA-N	418.320	6.042	30	20	HKED	
C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(OCc2cn3ccccc3n2)c1	618807790	WRHUOJIKRWUPJW-BVZFJXPGSA-N	408.505	5.123	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1	619539289	DBNRVXPZJXGYRV-GFCCVEGCSA-N	416.428	5.583	30	20	HKED	
C=CCC[C@H](NCc1ccc(C(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cc1	676725626	PSOMZYFFJSJIQN-NRFANRHFSA-N	402.460	5.395	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1ccc(O)cc1	685548830	VFQDKAUXGBHQKJ-IERDGZPVSA-N	424.932	5.305	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)cc1Cl	726441050	PMFMDXKYDAWVEL-UHFFFAOYSA-N	412.971	5.398	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2ccccc2)c1	726572441	FKKPNFYNPLKFEF-UHFFFAOYSA-O	413.566	5.512	30	20	HKED	
CC(=NNc1nnc(-c2ccccc2)n1C)c1sc(-c2ccc(Cl)cc2)nc1C	727651344	UXPYSDGCHLBIOQ-UHFFFAOYSA-N	422.945	5.404	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1	727655292	VEFDLVFJQYHORZ-ZHACJKMWSA-N	411.552	5.152	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)cc1	727764368	XATBZSPWHSKYMC-DEOSSOPVSA-N	416.546	5.096	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)/C=C/c1ccccc1C#N	730202450	MMJDQKLQURZGBJ-TZIYXEQSSA-N	407.926	5.534	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@@H](C)C1CCCCC1	731076938	ISHYTOFVSLLDNN-SJORKVTESA-N	402.560	5.169	30	20	HKED	
COc1ccccc1C[C@@H](C)N(Cc1ccccc1)Cc1ccc(OCC#N)cc1	731212338	HJGCNNIGYUYJQV-OAQYLSRUSA-N	400.522	5.231	30	20	HKED	
Cc1cc2oc(=O)cc(CNc3ccccc3S[C@@H](C)CC#N)c2cc1C(C)C	731352386	VWVKDQPCPKSLGJ-KRWDZBQOSA-N	406.551	6.231	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(-c2ccncc2)cs1	734081316	IPQQSQHSXWZOOY-AWEZNQCLSA-N	424.938	5.277	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)c1cc2ccccc2n1CC#N	734734513	BEUVOGVEYUFLSN-HNNXBMFYSA-N	419.481	5.654	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1ncc(-c2ccc(Cl)cc2)o1	735317806	FZICBUHQPGZVBE-UHFFFAOYSA-N	405.306	5.984	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C	735883879	IVJWFTSBSYHRRF-UHFFFAOYSA-N	423.557	5.316	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)COC3)cs1	742436579	MAHVDGJTRPCVSM-TWGQIWQCSA-N	424.909	5.407	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)/C=C/c2cnc3ccccc3n2)cc1F	742962712	OVFDQONTUOQLRX-ZRDIBKRKSA-N	410.408	5.085	30	20	HKED	
Cn1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21	744936225	PPBYSAXXLVVNJI-SFHVURJKSA-N	405.910	5.374	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2o1	744939313	VBIFWXCOWITQHW-GCJKJVERSA-N	402.837	5.478	30	20	HKED	
Cc1cc(Br)ncc1NC(=O)c1ccccc1Sc1ccccc1C#N	746011552	XCIXTDBYIVVSCW-UHFFFAOYSA-N	424.323	5.428	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[C@H](O)c2ccccc2)cc1Cl	750590020	KQFXKWVHXVJPIG-GGAORHGYSA-N	419.912	5.241	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1Cl	751087508	SEEXAGXQXYXLKH-GOSISDBHSA-N	409.804	5.295	30	20	HKED	
COc1cccc(/C(C)=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	751825874	CYGWXELZNUBNIO-LMICACPXSA-N	408.910	5.752	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(NC2CCCCC2)sc1=S	751930100	CNPZUZMJJBVMBB-MOPGFXCFSA-N	413.616	5.148	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1	752636388	KZMIHCXUEBRFOM-FQEVSTJZSA-N	403.432	5.210	30	20	HKED	
COc1ccc(CCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(OC)c1	754530154	CNASXTRBSYTWDY-IBGZPJMESA-N	406.507	5.026	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3noc(-c4ccsc4)n3)cc2Cl)c1	754856997	HTKCAIFSXVTOIK-UHFFFAOYSA-N	422.897	5.514	30	20	HKED	
C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cccc(NC(=O)c2ccccc2)c1	756588615	GRMKUEVIYJYTQV-CQSZACIVSA-N	406.388	5.007	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1cncc(Br)c1	758130771	VMMHLHKQTFMVSE-UHFFFAOYSA-N	418.726	5.253	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	760000958	OXFQMQXCPGPPFW-UHFFFAOYSA-N	414.490	5.572	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)cn2)cc1	761330342	MTHKDTMTOFIAKS-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
Fc1ccc(C2OCCO2)c(Cl)c1C=NNCc1ccc(-c2ccccc2)cc1	761809353	CTVXBNDKGIFRLU-UHFFFAOYSA-N	410.876	5.315	30	20	HKED	
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	762690689	MBAKYBWWIVQKJB-WZONZLPQSA-N	416.546	5.093	30	20	HKED	
C[C@@H]1CC(=O)CC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	762996307	RKZISDBHGHCVLY-WDBKCZKBSA-N	407.322	5.298	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](c3ccccc3C)C[C@H]2C)c1=S	765002396	ODTHSBMADXXHJK-CTNGQTDRSA-N	419.598	5.196	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1ccccc1C(C)(C)C#N	767998545	YILLXKBJBLWHBO-UHFFFAOYSA-N	408.479	5.060	30	20	HKED	
C[C@H](N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccc(OCC#N)cc1	776165364	PYZSAWZURRSAFK-NPMXOYFQSA-N	412.867	5.961	30	20	HKED	
CC(C)c1cc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)c2cnn(C(C)C)c2n1	777143766	CSDSTLPUOGLUGX-UHFFFAOYSA-N	402.498	5.048	30	20	HKED	
CC(C)N1C/C(=C/c2scnc2C2CC2)C(=O)/C(=C/c2scnc2C2CC2)C1	782302233	PIIZVYJZVPMWOV-NIVQCIBKSA-N	411.596	5.115	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	783090303	UJXGBVKQMZDEBO-IINYFYTJSA-N	408.376	5.098	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1nccc2ccccc12	792100044	CUDMGKNAWCRQIV-VWLOTQADSA-N	405.501	5.113	30	20	HKED	
C[C@@H]1[C@H](C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)[C@@H]1c1ccccc1	797548880	RFMJKHAXRFAWMZ-UHVVYFEBSA-N	410.473	5.176	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)OCCCC2(C#N)CCOCC2)c(C)c1	800079678	GZDXDUAZXMRGJA-UHFFFAOYSA-N	410.539	5.107	30	20	HKED	
Cc1sc2nc(/C(Cl)=C\c3nc(C#N)cs3)nc(O)c2c1-c1ccccc1	811687602	PPPLJHJPBYROTI-NTUHNPAUSA-N	410.911	5.437	30	20	HKED	
N#CCCC[C@@H](NC(=S)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1	814210833	VANVNPPDPWTNRB-MRXNPFEDSA-N	409.889	5.663	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](c3ccc(CC)cc3)C2)c1=S	814225263	QHWKKSHYRREDNC-JOCHJYFZSA-N	419.598	5.062	30	20	HKED	
C=CCCC[C@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	883978603	RHAGHIYVDFCSIS-MLHJIOFPSA-N	421.425	6.152	30	20	HKED	
Cc1cc(C)n2ncc(-c3noc(-c4ccc(Sc5ccccc5C#N)cc4)n3)c2n1	904378017	VPYYKTCPBQMCKD-UHFFFAOYSA-N	424.489	5.086	30	20	HKED	
Cc1ccc(-c2ccc(C=Nn3c(S)nnc3SCc3ccccc3)o2)cc1	912801484	WESHQLXXGVFNFR-UHFFFAOYSA-N	406.536	5.310	30	20	HKED	
COc1cc(C=NNc2ccc(Cl)c(C(=O)O)c2)c(-c2ccccc2)cc1OC	915270029	KQRWZWOAGFIFCP-UHFFFAOYSA-N	410.857	5.168	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cccc(OCC(F)(F)F)c2)S1	915983738	UQZWUTVODXGAKQ-MHWRWJLKSA-N	406.429	5.136	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccccc1COCc1ccccc1	916398603	ALLNRMCOOOEVIK-UHFFFAOYSA-N	411.461	5.220	30	20	HKED	
N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	916884836	IAVAHOMUJQGCEA-QGZVFWFLSA-N	407.322	5.213	30	20	HKED	
Cc1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1	916927830	CWQUAXSKFFVVPV-CQSZACIVSA-N	407.322	5.050	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	916943481	XXPDZIGZCXGHBQ-SFHVURJKSA-N	405.281	5.133	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCC(C)C)c(OC)c2)cc1	916947302	HDDBWKWUEGUPNJ-UWJYYQICSA-N	422.525	5.205	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SC(F)F)cc2)cc1	916953571	DEYZUVFSWNABOW-FZKQIMNGSA-N	402.466	5.476	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)ccc2c1	917040260	JAPBGVCFKRLEPK-SSVWKNEZSA-N	417.415	5.483	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	921025300	LZBYKZMHXNURNQ-LUAWRHEFSA-N	422.315	5.502	30	20	HKED	
C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1	1790767836	QJTNTXRBFWLTGB-ZPYFUIHZSA-N	419.912	5.092	30	20	HKED	
COCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	41538229	DNZWRSGVYGEVPP-INIZCTEOSA-N	417.317	5.753	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21	63400970	CZVRJLUHFGVMBV-SFHVURJKSA-N	417.918	5.183	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1	64714282	OFFZKEORJPYWCE-LBPRGKRZSA-N	424.350	5.477	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	64715346	ZKQVOIQIALHJML-NSHDSACASA-N	403.479	5.467	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c(C#N)c(C)c1C	71998368	AETFRYQFGFTPMJ-UHFFFAOYSA-N	408.527	5.048	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccnc3ccccc23)n(C2CCCC2)c1C	111216994	DNLITTDVNDQLNZ-UHFFFAOYSA-N	404.539	5.371	30	20	HKED	
Cc1ccccc1OCCCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	117562223	WCQZTZRKRAJSSX-UHFFFAOYSA-N	414.505	5.438	30	20	HKED	
C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1	147029341	YTAWQKVONQRMTL-JFPYRBRCSA-N	411.505	5.326	30	20	HKED	
N#CCCn1cc(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)c2ccccc21	216702227	UAVBTWZYRSGABX-UHFFFAOYSA-N	421.522	5.793	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)o1	237882072	MXVZKRGSFWQHQE-UHFFFAOYSA-N	408.326	5.530	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1Br	303170121	RGPOZFAVJBWPCE-CMDGGOBGSA-N	400.297	5.477	30	20	HKED	
CN(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(Br)cc1Cl	303536498	XPSRVXUIRGGHOZ-UHFFFAOYSA-N	421.722	5.186	30	20	HKED	
O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303663661	HZBRPOPNYJEGRH-RYUDHWBXSA-N	419.287	5.152	30	20	HKED	
Cc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)sc2ccc(C#N)cc12	427991057	JSROSAOUTLSEQC-UHFFFAOYSA-N	401.447	5.179	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Br)c(F)cc1F)c1cccc(Cl)c1Cl	428799872	FJLOTZHYMVKWEI-CYBMUJFWSA-N	420.040	5.029	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)NCc1cc(C#N)ccc1F	431715077	YBSSYEYZUJZBJL-UHFFFAOYSA-N	421.497	5.320	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F	432454838	NYZMYVNUBHMYBC-QHAWAJNXSA-N	415.459	5.204	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1occc1Br	434012808	RLUHJMACUROHBV-UHFFFAOYSA-N	419.222	5.319	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1	437846824	YOQRKGMUYPGVMN-BJKOFHAPSA-N	422.488	5.654	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)n1	439311852	ZQBOMUBYRXMRCH-IBGZPJMESA-N	408.552	5.769	30	20	HKED	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(C#N)(c1ccccc1)c1ccccc1	444650255	LZJNWHYIEAZZLF-URAOTHONSA-N	416.590	5.317	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	447724793	YJVSQDVGWWZPKC-HWWQOWPSSA-N	421.312	5.090	30	20	HKED	
C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC2(CCOCC2)[C@H]1C	460787628	DJKYWYCXJDJZQP-LJQANCHMSA-N	402.542	5.070	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)s1	463753285	KZZLZBNHVBVIKU-INIZCTEOSA-N	423.513	5.407	30	20	HKED	
CN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCC[C@H]1C(F)(F)F	464234124	NMFFBATZQYWGQA-GMNCBBECSA-N	423.479	5.011	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cnccn2)nc2scc(-c3cccs3)c2c1=O	464554868	XVPAXNLTIBGYAR-LBPRGKRZSA-N	412.565	5.016	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC(=O)Nc1ccccc1-c1ccccc1	464810215	DTWAIZVHWHLLKO-AOYPEHQESA-N	409.533	5.454	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1	467106855	MQTSRFSBKBCJSR-BJKOFHAPSA-N	402.444	5.169	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)cs2)cc1	468112537	YCRZDFJNMBBUEB-OFNKIYASSA-N	409.555	5.001	30	20	HKED	
COCCc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	468190020	WHFSYZKPOMLSMR-UHFFFAOYSA-N	406.869	5.445	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](C2CC2)O1	471204160	XCGVWFHAGAPVDQ-QPJICYPMSA-N	409.917	5.027	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1	474428567	RHROCYNLHAXUCZ-QGZVFWFLSA-N	401.432	5.332	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)n1	474444585	IBOSJJZWRHSFDF-GOSISDBHSA-N	404.495	5.401	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c1C#N	474866700	DVLNCYKCZVKNPH-HNNXBMFYSA-N	414.534	5.106	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21	476118195	BSGFWXDRVPGSHY-UHFFFAOYSA-N	401.432	5.546	30	20	HKED	
COc1ccc(CS[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1Cl	478611895	XJAZNPLMWBJLCX-CQSZACIVSA-N	406.910	5.056	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c(F)c1	480537157	FTBLPUSEWMEXRZ-JLTOFOAXSA-N	401.482	5.655	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1sc3cc(Cl)ccc3c1Cl)CCCC2	484180269	SPMJUUYSAJXAAH-UHFFFAOYSA-N	402.306	5.606	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2s1	484684888	YOHLCABSZLNXQF-UHFFFAOYSA-N	421.913	5.288	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(F)c(F)c1	486261552	NQDBZTQWCOOBAN-UHFFFAOYSA-N	407.873	5.267	30	20	HKED	
CCN(CC)C(=O)c1ccc(NCc2cc(C#N)ccc2Br)cc1Cl	492511861	JIFRNFYBWQARJH-UHFFFAOYSA-N	420.738	5.068	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1Br)c1ccc(OCC(F)(F)F)cc1	492748354	MQHJZQOTGPQDAY-GFCCVEGCSA-N	413.237	5.113	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1	499410850	BNYHOICYKHBLES-MRXNPFEDSA-N	412.114	5.070	30	20	HKED	
COc1cc(CNc2cc(C#N)ccc2OC(C)C)ccc1OCc1c(C)noc1C	501005662	SEUQGGRDTHFUGB-UHFFFAOYSA-N	421.497	5.150	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(C)cccc1C(C)C	502665669	GXYHABHCSWZCFH-UHFFFAOYSA-N	419.338	6.240	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C	511281823	OYTJORSJVSTZHH-LJQANCHMSA-N	418.990	5.647	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)nc2ccccc21	513649012	UNRDOKBWRXOISF-FQEVSTJZSA-N	418.456	5.385	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1	513696120	SJUOQADUIHEMKY-IBGZPJMESA-N	417.921	5.999	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	520325972	FEGQEHRXWJRAEP-MRXNPFEDSA-N	406.432	5.656	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1	521644611	MCPGONSHFZQGMM-UHFFFAOYSA-N	417.415	5.083	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)n1	522316461	XERQWOQPULNQSQ-UHFFFAOYSA-N	420.472	5.563	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl	524930791	ZTLUNPRCJIDDPR-QFIPXVFZSA-N	424.331	5.796	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(-c3ncco3)ccc2C)cc1	534038497	BLNJDYGGUBAANL-UHFFFAOYSA-N	416.481	5.108	30	20	HKED	
COc1ccc(OCc2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cs2)cc1	534336881	WNDUQZOSKWJZJS-UHFFFAOYSA-N	407.539	5.013	30	20	HKED	
COc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1	539496220	JHVKIAZZDPNZAJ-FYSMJZIKSA-N	406.913	5.669	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1	543562188	PWGMWARQRYWLLM-INIZCTEOSA-N	420.538	5.022	30	20	HKED	
CO[C@H](c1cccc(Cl)c1)c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1	545058891	VROYWRCVRRUTON-HXUWFJFHSA-N	418.840	5.185	30	20	HKED	
N#CCCC[C@H](N[C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1ccccc1	550827129	KNEAMSHEDFOVNE-HFMPRLQTSA-N	415.537	5.009	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2sc3cc(F)ccc3c2C)c1C#N	558015187	SUVKVXAJYPULDL-UHFFFAOYSA-N	422.510	5.380	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1cccc(OC)c1	558451917	FQQJOAFWMCXOJS-UTKZUKDTSA-N	422.504	5.093	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2Cc3ccccc3-c3ccccc3C2)c1	560173399	DUUYDWAVDYZDEV-UHFFFAOYSA-N	405.404	5.374	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@H]1c1cccnc1	561009715	AMINMZGOCWRCCY-QFIPXVFZSA-N	417.896	5.622	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(C)(C)c1ncccc1C	569342243	CZBBFEBHAKELTC-UHFFFAOYSA-N	414.509	5.462	30	20	HKED	
C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	572414128	IVYASCQUAXZVCY-HOYKHHGWSA-N	412.493	5.751	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CC(C(F)(F)F)C2)cc1Cl	572743777	NBUPVIKGHRJUCL-PGEKIEPBSA-N	407.823	5.458	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1cccc(F)c1	573884673	DNXAVHQVFUNVAM-UZLBHIALSA-N	410.468	5.224	30	20	HKED	
CC[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(C#N)cc1	574393513	YTWDTTOONPWUGZ-OAQYLSRUSA-N	402.460	5.366	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc3nc(C(F)F)sc3c2)c(C#N)c(C)c1C	580342744	KUENFKVGSGHJRR-UHFFFAOYSA-N	418.494	5.157	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	583100717	VTODCDRRNLJTIZ-VGOFRKELSA-N	423.582	5.037	30	20	HKED	
CN(C(=O)c1cc(F)c(Br)c(Cl)c1)c1cc(Cl)ccc1C#N	588939771	PIAASRGBHCCBOO-UHFFFAOYSA-N	402.050	5.043	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(Oc2ccccc2)c(F)c1	604077645	SROUKFIXQGQMSI-QGZVFWFLSA-N	403.457	5.392	30	20	HKED	
CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C#N)c(Cl)c1	604493799	RBXXAZLPDOJMTP-GFCCVEGCSA-N	416.852	5.002	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	608945819	CRNFJSOQDIUEFI-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(OCc2ccccc2)cc1	609028813	RBWNWKVPBAHBJC-NRFANRHFSA-N	411.288	5.567	30	20	HKED	
C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1c(Cl)cccc1Cl	609185598	CTJVXBGSQBKGGM-AWEZNQCLSA-N	403.309	5.039	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	609377212	RVDGABCGBKLPBB-RBUKOAKNSA-N	416.546	6.011	30	20	HKED	
COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	609398824	UUUHVVKBIGQRCM-IEBWSBKVSA-N	409.555	5.186	30	20	HKED	
N#Cc1ccccc1CN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	609464372	BXJFCLVPSARGCI-VWLOTQADSA-N	416.569	5.247	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)cn2)cc1	609553991	OKIPSGTYFGEIOT-GOSISDBHSA-N	418.884	5.420	30	20	HKED	
CC(C)n1c(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21	609839030	ACYKMAGVCCORKC-UHFFFAOYSA-N	410.477	5.211	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccc(C#N)c1	610317838	JUZUXAZWYSVVLJ-MRXNPFEDSA-N	412.518	5.641	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=O)N[C@H](C)c1cccc(C#N)c1	610356093	IZNQUTFBDKFMQY-OAHLLOKOSA-N	400.320	5.004	30	20	HKED	
COc1cccc(CC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1	612307174	ZKCNLMDQLUZDHM-SFHVURJKSA-N	423.582	5.434	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)cc(Br)c1)c1nc2cc(Cl)ccc2s1	613407374	RQVREDALQAMQIK-LBPRGKRZSA-N	409.667	5.341	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	618801973	CNPVNTLEAWAZCE-FOIQADDNSA-N	402.523	5.038	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1	619579382	ZWBCLIJKPQITHE-UWCPCEDSSA-N	418.537	5.142	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CC(c2ccc(F)cc2)C1	644650225	BSYVRMVAKHTOJD-HOAMVYINSA-N	411.361	5.345	30	20	HKED	
O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	669904332	OEOZFUKQCRJWJW-LBPRGKRZSA-N	401.297	5.178	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	684631389	QQNPRSWEOZZSQQ-HNNXBMFYSA-N	413.424	5.606	30	20	HKED	
C=C(C)COc1cccc(NC(=O)COc2ccc(C3SCCCS3)cc2)c1	727330868	XDPUXRFTMUALLO-UHFFFAOYSA-N	415.580	5.528	30	20	HKED	
CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OCc1ccc(F)cc1C#N	728623263	AOLDNCIQJFOYJD-UHFFFAOYSA-N	409.244	5.100	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	728770774	WZHYORXKSYTLDJ-DNVCBOLYSA-N	401.491	5.060	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(F)(F)c1ccccc1	730996758	ZKHFFRVZCZVOER-UHFFFAOYSA-N	400.372	5.442	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)c1ccncc1	734457988	RLHQFQLLBSWZLL-GOSISDBHSA-N	404.514	5.131	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1	734654534	WGIQRKJNKKDPOP-SFHVURJKSA-N	401.466	5.051	30	20	HKED	
CCN(CC)c1ccc2cc(C(=O)/C=C/c3cnc(C(C)(C)C)s3)c(=O)oc2c1	736432542	AGVASBMMYHJSFX-ZHACJKMWSA-N	410.539	5.289	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	739156193	LMTINSSJFZEFAS-WFASDCNBSA-N	421.369	5.505	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	739156361	WHIJRUSUCDGXAR-YWZLYKJASA-N	424.422	5.385	30	20	HKED	
O=C(/C=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1c(Cl)nc2ccccn12	743056109	POPISBJCFPCFSU-BVBGJJFLSA-N	417.292	5.095	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1	743093925	ZORYLPHNUCCBKN-DYESRHJHSA-N	418.566	5.894	30	20	HKED	
CCCOc1ccc(C=NO[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1OC	744443909	OVXZSJYMEKSBPP-OAHLLOKOSA-N	413.449	5.093	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)n1	747195839	AHABCYKDQWZTAY-CQSZACIVSA-N	401.944	5.462	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(-c2ccccn2)c1	747746089	FPWIXFFXKXGGPF-UHFFFAOYSA-N	422.513	5.378	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1	752109871	HRRMLKQEMRPXDC-NOZRDPDXSA-N	420.553	5.002	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNCc2cccc(Cl)c2)cs1	756828141	XGZZLIAAAZEJNI-UHFFFAOYSA-N	419.337	5.258	30	20	HKED	
C#CC[C@H](NCc1cc(Br)c(OCCC)c(OC)c1)c1ccccc1	756995356	GXADQDOEFVSRHH-IBGZPJMESA-N	402.332	5.101	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(C)ccc2O)cs1	757468963	WOKFTVBMFPZPQP-POHAHGRESA-N	412.898	5.391	30	20	HKED	
COc1ccc(OC)c(C=NO[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)c1	757613863	MBNSOHSCHDJXOA-LLVKDONJSA-N	422.268	5.172	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)ON=Cc3ccccc3Br)o2)cc1C	758409828	CRPFEQPQENMKKM-CQSZACIVSA-N	400.276	5.228	30	20	HKED	
C[C@H](CCNC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(C(F)(F)F)c1	761662925	WXGYLMWWUFYXRK-CYBMUJFWSA-N	409.383	5.062	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(Cl)c1Cl	761750341	ZDVLIEPFEMHENC-UHFFFAOYSA-N	420.346	5.684	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)c1=S	765032020	BVAVXCNTUGABAW-DENIHFKCSA-N	419.598	5.135	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(F)cc(F)cc3C2)cc1	765905595	ALWZMARUKROEPU-JOCHJYFZSA-N	403.432	5.210	30	20	HKED	
CCCCOc1ccc(C=NOCc2nnc(-c3ccccc3Cl)o2)cc1OC	768513174	XWRQKUPOYXDEPJ-UHFFFAOYSA-N	415.877	5.128	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccncc1	776148363	CNUCPCUCYLAZQT-OALUTQOASA-N	418.310	5.051	30	20	HKED	
CC(C)(C)Sc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1	779199068	UUVDYCSTNWJTDM-QGZVFWFLSA-N	418.547	5.457	30	20	HKED	
C=C(C)CCOC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1	784881830	AQJAEEVWVBDGGP-UHFFFAOYSA-N	402.516	5.204	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)cc(Br)c1OC	787186540	KKGYSQRZZYNSQK-CMDGGOBGSA-N	421.335	5.012	30	20	HKED	
N#CC1(N(C(=O)c2sc3cc(Br)ccc3c2Cl)C2CC2)CCC1	791002477	HWNGCKNUZAYWDN-UHFFFAOYSA-N	409.736	5.368	30	20	HKED	
CCN(Cc1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)OC(C)(C)C	793091641	JZERAKWCXGCHKK-HXUWFJFHSA-N	421.541	5.470	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1	796741184	FEWBDSADJXULAC-KBXCAEBGSA-N	415.333	5.940	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(F)ccc(Br)c2F)S1	799889892	VCBJVNGTEPTGQC-RIYZIHGNSA-N	423.282	5.236	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(SCc2csc(C)n2)cc1	803523005	JLVMDXUBIAYUDB-FQEVSTJZSA-N	406.576	5.108	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Cl)c(F)c2)cc1Cl	808260208	LXKKDKYATGCTCW-MRXNPFEDSA-N	400.240	5.435	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(Br)nc1	810234444	COXNBIHVYBYNDP-CVEARBPZSA-N	406.327	5.795	30	20	HKED	
N#C[C@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1cc(C(F)(F)F)ccn1	813213956	RCUDVLTZVWIFTK-RNIVLKNTSA-N	416.399	5.718	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cs2)cc1	915086864	OBNLEAXKGUUXRR-DEOSSOPVSA-N	423.541	5.955	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915086971	YXAKJFTZYHFIDE-VWLOTQADSA-N	412.489	5.342	30	20	HKED	
C#Cc1cccc(NC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1	915340233	RBIRBRLTUGZBTE-UHFFFAOYSA-N	406.489	5.185	30	20	HKED	
COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)ccc1OCC#N	916231361	YFVXKFPUGKLBAQ-JOCHJYFZSA-N	419.868	5.022	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1	916913566	HQZBGYUKLSWYDV-LJQANCHMSA-N	421.497	5.253	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916976910	WQNFOKWJOXLMJK-HXUWFJFHSA-N	417.921	5.673	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2cc3c(cc12)CCC3)c1nc2cc(Cl)ccc2s1	917046100	FIHAHEKKSTZVGR-QGZVFWFLSA-N	406.894	5.604	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@H](c1ccc(Br)cc1)C1CCC1	917595120	RUCVYRHKIYLPGX-SFHVURJKSA-N	400.345	5.149	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	920110809	WGJSXIJBDHEDGY-XXBNENTESA-N	412.489	5.006	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)c2ccc(-c3ccccn3)nc2O)cc1	1635553365	OVLJKWCDFQKEKZ-UHFFFAOYSA-N	424.485	5.124	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822960942	UOKHTUIDWMOACP-FDPQJJROSA-N	424.589	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1	1822980044	PUPGVRJOGHHPQD-DVECYGJZSA-N	412.578	5.141	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1c(C)cccc1C	11153256	DAYJBJNBSATQRG-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3cnn(C(C)C)c3n2)cc1	14527575	SEKFDCJOWMIDLB-UHFFFAOYSA-N	409.493	5.306	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC	41559443	WLRQZJLEAKTJBK-OAHLLOKOSA-N	413.424	5.109	30	20	HKED	
CCOc1ccccc1CCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	46879893	WJHPWCJZYDDJBT-UHFFFAOYSA-N	401.466	5.024	30	20	HKED	
CC(C)OCc1ccccc1CNCc1cccc(OCc2cccc(C#N)c2)c1	60973762	XIUWTMTVDAMLAR-UHFFFAOYSA-N	400.522	5.352	30	20	HKED	
COc1cccc(CSCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1	64375688	PLPAOGRHVBWFNW-AWEZNQCLSA-N	400.569	5.015	30	20	HKED	
COc1ccc(CNC(C)(C)c2ccc(Br)cc2)cc1OCCCC#N	64614024	LMWBEIRMCMICGG-UHFFFAOYSA-N	417.347	5.165	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)COC(c2ccccc2)c2ccccc2)cc1	111184297	RLZRRSSSSRUCSC-UHFFFAOYSA-N	414.505	5.138	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1	409519977	IRNZQRQXXGPAFZ-QGZVFWFLSA-N	421.338	5.751	30	20	HKED	
N#Cc1nc(N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)ccc1C(F)(F)F	409713960	DUQVNRLUBLKKDL-KRWDZBQOSA-N	417.822	5.357	30	20	HKED	
C=CCN(C(=O)c1ncccc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	427373031	UCUZTECHSFAGDI-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(F)cc1C(F)(F)F	428165311	YYOIGLPKIAXYSL-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
COc1cc(Cl)c(Cl)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	429729130	YPVGUYJQGOSJAF-SNVBAGLBSA-N	410.207	5.237	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cccc(SCC#N)c1	429812060	TYLKJBJTLDZRNL-GOSISDBHSA-N	402.519	6.003	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)s1	430609631	HXWQMKZXBIREBF-HNNXBMFYSA-N	411.914	5.771	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCC[C@H](c1ccccc1)C(F)(F)F)c1ccccc1	432478720	OJVKGOOWSQMPLT-WOJBJXKFSA-N	403.448	5.457	30	20	HKED	
CC(=O)N(c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1)c1ccccc1F	433035309	LUIUFEQAPAYVNB-OAQYLSRUSA-N	422.529	5.492	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccc(C#N)c1	434880840	QMMBIDGNJWQNLU-QHCPKHFHSA-N	413.502	5.085	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1	438505241	BCEGEBLFWAZXSK-NPKFRGRUSA-N	423.582	5.037	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NCCCCC#N	438633517	WKMVDDSQPDDWTP-UHFFFAOYSA-N	407.493	5.547	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1	439381411	CRJYPDRDIWJPNW-WVXBCFDCSA-N	417.534	5.161	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(F)c1	439644625	IPQWEVOCMXAWQE-HNNXBMFYSA-N	407.420	5.376	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1	440916821	KQULJLFCCPXFNU-UHFFFAOYSA-N	407.539	5.010	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1	440936971	NZPMBUARWIELEY-UHFFFAOYSA-N	410.905	5.044	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)o2)cc1	442674442	YHANOUDRMIGERF-INIZCTEOSA-N	405.404	5.744	30	20	HKED	
CC[C@H](N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(C#N)cc1	447537398	VOXDHPKFYNJGNA-JPYJTQIMSA-N	401.510	5.343	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2ccco2)cc1F	447984228	XDVPULIEKKASMW-HNNXBMFYSA-N	409.486	5.659	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@H]1c1cccc(C)c1C	464586718	KOVZQDUXEQIFTK-QFIPXVFZSA-N	406.526	5.097	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1	466987366	QNNSUEIKEVCBBL-HNNXBMFYSA-N	403.290	6.041	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)Nc3ccccc3SCCC#N)coc12	471844370	JXXAGYVHJNBFAS-UHFFFAOYSA-N	415.312	5.762	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2ccccc2C#Cc2ccccc2)cs1	472855483	RFFAVOROOIQZML-SFHVURJKSA-N	419.550	5.304	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n1	474427732	PLFWGRPBZUQUPP-LJQANCHMSA-N	403.507	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2cccs2)n1C	476171697	ZYUONYUIRFAQQA-UHFFFAOYSA-N	412.584	5.126	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1	476366182	APBKCXXBFYIBFG-HOTGVXAUSA-N	401.963	5.366	30	20	HKED	
C=CCC1(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CCC1	479086073	RGHDTZPTDGBTKI-UHFFFAOYSA-N	404.297	5.326	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccc(C)c3)no2)nnc1-c1ccccc1C	481374868	PKFSFQYDQCDYIB-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
CN(C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CCC1	482347519	OUAXSTUSWRKDJQ-GFCCVEGCSA-N	422.291	5.522	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(Oc4ccncc4)c3)c2)cc1	482832015	ZICUPDJGGUDXAK-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ncccc3Br)c2C#N)C1	483108061	XYNNSQWMYRRLMF-LLVKDONJSA-N	418.360	5.181	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)c1	483204261	WZXCQKWQDFFEEI-LJQANCHMSA-N	424.847	5.437	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1	483329847	GHAALFSVKDZOGS-CYBMUJFWSA-N	420.365	5.978	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C	484176198	LLZJADIJJIYHFB-KRWDZBQOSA-N	417.513	5.452	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1	488434786	NDTHCGFUPNCWJF-VQTJNVASSA-N	417.534	5.667	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)[nH]1	489576721	IWTLAWJMDZRECA-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)C1	489888151	NPCDWGWVONEHTI-UHFFFAOYSA-N	410.945	5.729	30	20	HKED	
Cc1[nH]c2c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cccc2c1C	490430507	GAPWHEHWUZGMFQ-UHFFFAOYSA-N	408.461	5.161	30	20	HKED	
C[C@H](NCc1cc(C#N)ccc1Br)c1ccc(OCC2CC2)c(F)c1	492770090	LIEFBKUHDGYREC-ZDUSSCGKSA-N	403.295	5.099	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C(C)C	499439082	IRIDEJCCTDKTHH-UHFFFAOYSA-N	418.566	5.938	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)Nc2cc(C#N)ccc2OC(C)C)s1	502621345	SVMJBEAPRRCBPT-UHFFFAOYSA-N	409.511	5.543	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc2o1	503466023	UBADOYKWLORIID-UHFFFAOYSA-N	400.482	5.318	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(C)c1O	505050463	CSTLRKNLMAFALF-OAQYLSRUSA-N	419.912	5.640	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)N[C@H](C#N)c3ccccc3F)oc2c1	505913541	UWBHOYILOAXYFJ-HXUWFJFHSA-N	400.409	5.242	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)o1	513286953	OZAUTFBBZRTUAW-QHCPKHFHSA-N	423.532	5.213	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1	514534052	LGSFQLAJWYBVDQ-UHFFFAOYSA-N	407.901	5.236	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)c1	517298471	NXLYVDUYILMNDZ-UHFFFAOYSA-N	418.443	5.187	30	20	HKED	
Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2SCCC#N)c1Cl	518643719	TXSPVAMGQWRXMT-UHFFFAOYSA-N	401.340	5.108	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1	518931073	SRUDTQCDDKFSHV-UHFFFAOYSA-N	417.534	5.285	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)C2CC2)cc1	519498360	FASZXVTZIKWPHH-MSOLQXFVSA-N	423.582	5.780	30	20	HKED	
C=C(C)CN1CCC(NC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)CC1	520682778	OYCSRYZRLIYWAH-QFIPXVFZSA-N	415.002	5.330	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](c2ccc3c(c2)CCCC3)c2cccs2)c1	520954672	BNEXULONXUAAQP-AREMUKBSSA-N	416.590	6.189	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)Nc1ccccc1C(F)(F)F	522152385	RBTYLLYFDQWCPM-UHFFFAOYSA-N	424.316	5.766	30	20	HKED	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	523909260	MXAPFLQHUAKEGP-MAUKXSAKSA-N	401.963	5.877	30	20	HKED	
COc1cc([C@@H](C)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F	527099871	QGJXMYIRMYTPBM-BZNIZROVSA-N	409.345	6.197	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1ccccc1Cl	532474000	FANBMXOZVSJDMC-JKSUJKDBSA-N	401.963	5.366	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1c(C)noc1C	534569425	ICHOFJNGSHNNQS-SFHVURJKSA-N	408.433	5.367	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)n1	535312926	FQALKXJPVSBBCH-LJQANCHMSA-N	403.507	5.033	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)OCC	535957737	BGVRYYJXICVCPR-HXUWFJFHSA-N	411.889	5.385	30	20	HKED	
C=C[C@@H](CC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1	536132950	XHNLIMSTSDGTQE-IBGZPJMESA-N	402.469	5.054	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	540245207	NPVCYGOYDMCHBK-WMZOPIPTSA-N	418.447	5.527	30	20	HKED	
CC(C)(C)OCc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	540253451	OPEZCRUCDQQCOR-UHFFFAOYSA-N	414.505	5.705	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(NC(=O)NC2CC2)cc1	541176039	PAMWCPKDXSFLPD-RTBURBONSA-N	424.548	5.921	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(CN(C)Cc3ccccc3)c2)n1	541405704	AWRGJXUWDAFNNU-NRFANRHFSA-N	403.551	5.389	30	20	HKED	
N#Cc1cc(C(=O)Nc2cc(F)ccc2Oc2ccccc2)cnc1C(F)(F)F	550198519	ABYRCOOWWIXJOQ-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CC(C)c1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c2ccccc2n1	552692172	IULNDKOPGCFVOZ-UHFFFAOYSA-N	417.484	5.053	30	20	HKED	
C[C@@]12CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@H]1C2(F)F	557301384	PSPUWRDPTMMRRX-UYAOXDASSA-N	402.828	5.121	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	562105858	RYFFPJHHWFDSRW-INIZCTEOSA-N	412.449	5.717	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	567411792	IQMGGOODUBHKGZ-UHFFFAOYSA-N	416.230	5.330	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)oc2c1ccc1ccccc12	592975506	HKYXKESLMSMHIZ-KRWDZBQOSA-N	400.434	6.133	30	20	HKED	
N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc4oc5ccccc5c4c3)CC2)cc1	603644416	YHSKMNYOOYVAAD-UHFFFAOYSA-N	424.504	5.197	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c4c(nc5ccccc35)CCC4)cn2)cc1	603765088	PJKLZFWGOBXECP-UHFFFAOYSA-N	406.445	5.035	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1cc(Cl)ccc1OC(F)F	603767650	LEDYKJHUHLJSEU-UHFFFAOYSA-N	417.264	5.338	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604046429	GYZBIOCXJFNXEZ-OAHLLOKOSA-N	421.884	5.452	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)F)cc1	609378539	UDHYLBKBAJNGQI-UHFFFAOYSA-N	400.372	5.901	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCSCc1ccccc1F	609435457	PFBWUYRJFQQLFD-HNNXBMFYSA-N	403.548	5.275	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	609460619	FFURUUPFWVJPHJ-MRXNPFEDSA-N	401.215	5.326	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3C[C@H]3C[C@H]4CC[C@H]3C4)cc2)nc1	609517507	RKUOVOHCXRPRFD-GUGJDKNPSA-N	401.510	5.176	30	20	HKED	
N#C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1Br	609591941	ZMPLWYYUTFZQCR-LJQANCHMSA-N	419.278	5.272	30	20	HKED	
Cc1nc(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)sc1SCC#N	610172092	VFXHTQRXEDFIGF-UHFFFAOYSA-N	405.976	5.462	30	20	HKED	
COc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)cc1	610355964	GCNLEUHMCLQEFO-MWTRTKDXSA-N	419.912	5.370	30	20	HKED	
Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)c1	610859344	SSOMMUJHLNZJRN-HNNXBMFYSA-N	424.551	5.170	30	20	HKED	
CCc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2nc1CC	613392148	KLDYPVZPKBYULT-QGZVFWFLSA-N	412.518	5.368	30	20	HKED	
N#Cc1cc(O)cc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c1	619420809	ACOCGQNFCGKHGE-UHFFFAOYSA-N	400.221	5.010	30	20	HKED	
Cc1c(C(=O)NCc2ccc(C#N)c(Cl)c2)sc2nc(C(F)(F)F)ccc12	619764686	DVTSVCMQOHVUSN-UHFFFAOYSA-N	409.820	5.079	30	20	HKED	
C=C(C)COc1cc(CNc2ccc(N=S3(=O)CCCC3)cc2)ccc1OC	630061780	WSJBPMDKXJVJEC-UHFFFAOYSA-N	400.544	5.156	30	20	HKED	
CSc1c(F)cccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	684768389	CRFRKBHWEUBHLL-NSHDSACASA-N	410.417	5.666	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2/CSc3ccc(Br)cc3C2=O)cc1	728697629	UJGMNTKBIPMAPK-UGMNDJHYSA-N	400.297	5.112	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	729891395	GYHHBYIFQOJGGH-VIFPVBQESA-N	424.696	5.218	30	20	HKED	
O=C(c1sccc1SC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	730484467	SDUVOPNHBHFKAN-BQBZGAKWSA-N	413.355	5.266	30	20	HKED	
N#C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(OC(F)(F)F)cc1	731196122	AGRWGNMKSKNNCH-ZDUSSCGKSA-N	410.804	5.448	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCc2ccccc2F)cc1	731753936	SGFRWCCGNDANSA-UHFFFAOYSA-N	419.456	5.205	30	20	HKED	
Cc1ccccc1[C@H](O)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	732877965	JUBVABUZDOYGTC-OAQYLSRUSA-N	421.884	5.168	30	20	HKED	
C#CCCOc1ccc(CN[C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cc1	733328283	QHGFRZDTIJQPFF-JOCHJYFZSA-N	418.562	5.388	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C=Nn2c(S)nnc2SCc2ccccc2)o1	734295848	CLTBDBFVXHXMQK-UHFFFAOYSA-N	424.526	5.449	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12)c1ccncc1	734455674	KFDGHHHHTYREPK-QGZVFWFLSA-N	402.454	5.048	30	20	HKED	
C=CCCCN(C)Cn1nc(-c2ccccc2OC)n(-c2ccc(C)cc2)c1=S	736585628	VHPGMLKEUFSSKP-UHFFFAOYSA-N	408.571	5.243	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	737530220	RBJAUKUBIAFRFA-INIZCTEOSA-N	411.427	5.019	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)C(F)(F)F)c2)s1	740470453	WAFJLUZPEPQBKB-IBGZPJMESA-N	415.440	5.390	30	20	HKED	
N#C[C@H](C(=O)C1CC(OCc2ccccc2)C1)c1nc(-c2c(F)cccc2F)cs1	747114663	VHOHWSIKCSDQJJ-OFLPRAFFSA-N	424.472	5.260	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Br)s1)c1nc2cc(F)ccc2s1	747117410	PKNGNPSXFZCZIM-LBPRGKRZSA-N	423.332	5.459	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	750693840	ZXBQGBZLUAVVNW-MGPUTAFESA-N	401.491	5.060	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1C	750913360	LXFJHPANTXGLRQ-WQLSENKSSA-N	408.473	5.143	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccccn3)n2)CCc2cc(SC(F)F)ccc21	750914900	AEOQGUOZKLKOHA-LCYFTJDESA-N	400.475	5.732	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(F)cc1F)C(=O)Nc1ccccc1Oc1ccccc1	752477471	QNHUOWWCWRSIDC-IBGZPJMESA-N	420.415	5.037	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccn3)s2)CCOc2ccc(Br)cc21	753141835	JABUURQMGRZJPH-XFXZXTDPSA-N	413.296	5.016	30	20	HKED	
C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(C[C@@H](C)C#N)C2CC2)c1=S	753988351	PIRGEJFHIZOKEA-OALUTQOASA-N	417.582	5.272	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1OC	754689669	KRJOQIQESDMRON-VMPITWQZSA-N	400.780	5.281	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c(F)c1	755229920	JAIXOVLCSLGAST-LLVKDONJSA-N	413.276	5.375	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)n1	766383789	APYCHWRZOCODIX-DGCLKSJQSA-N	409.324	5.223	30	20	HKED	
Cc1sc2ncn(N=Cc3cnc(C4CCCC4)s3)c(=O)c2c1-c1ccccc1	767762512	XGKHRYBOULKZAR-UHFFFAOYSA-N	420.563	5.430	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)ccc2c1	770844289	YQHPGKAFIOFLHJ-NYHFZMIOSA-N	410.473	5.333	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(CC)o2)cc1C#N	775688038	GDTSDGRGSABXFT-FOIQADDNSA-N	424.501	5.287	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccccc2Cl)CCOCC1)c1nc2cc(F)ccc2s1	779206626	PYWYWPCJSUZCRP-CQSZACIVSA-N	414.889	5.013	30	20	HKED	
N#CC1(COC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CCOCC1	780547089	GGMZMDNBDYPSHF-UHFFFAOYSA-N	420.292	5.050	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)nc1	782035617	KMRBHQPRQNRQCJ-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
CC(=O)Nc1cccc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)c1C	785757569	VDRAOOZAWPQKPJ-UHFFFAOYSA-N	412.489	5.010	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1	787044813	GOXBSOPWHBSKCF-AEFFLSMTSA-N	423.925	5.053	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CC2CCC3(CC2)OCCO3)c1	788449817	SXJKFOQQSDJUDM-UHFFFAOYSA-N	424.928	5.068	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)n1	789039224	UHRYCIZEZZXZMY-SFHVURJKSA-N	420.944	5.129	30	20	HKED	
N#Cc1ccc(CSc2nnc(NCc3cc(Cl)cc(Cl)c3O)s2)cc1	790518611	ORIDMIKBFLPIDA-UHFFFAOYSA-N	423.350	5.327	30	20	HKED	
N#CC[C@H](CC(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1	793413754	RRZSVYOMSNGUJJ-LJQANCHMSA-N	402.425	5.071	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSCc3ccccc3)n2)cc1	796660170	BOHSWUFXSAQMLP-LJQANCHMSA-N	403.532	5.182	30	20	HKED	
C=CC[C@@H](OC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(Cl)c(Cl)c1	797553264	FVRIECFAHDHLSO-QGZVFWFLSA-N	418.280	5.232	30	20	HKED	
CN(CCCOCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	799207316	SGCNIIWNWIQVRY-RUZDIDTESA-N	413.521	5.413	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1cc(C(F)(F)F)ccn1	813214154	TZSXUUQRSMREDI-XTKXOIQPSA-N	416.399	5.858	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813216761	YKQBAOUKJLCGRG-BXKDBHETSA-N	403.187	5.051	30	20	HKED	
C[C@@H](CC#N)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	904669972	GPMLRDKMNOPCIV-JTQLQIEISA-N	408.767	5.613	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1	920143397	WEOGIDQBBIRYGZ-KRWDZBQOSA-N	411.408	5.120	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1	920970675	MBFJYJKFWQFMDR-UHFFFAOYSA-N	418.497	5.403	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CCC1	1788913927	SHSXOCUQWKBKES-KRWDZBQOSA-N	401.510	5.128	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1	1789451529	KOUJEXJYDZKONJ-FQEVSTJZSA-N	419.525	5.068	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4cc[nH]c34)CC2)C1	1804858937	ZFXKNIPCXZYECM-UHFFFAOYSA-N	421.585	5.005	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822331551	PCRPLVZCZMKCAM-AZUAARDMSA-N	412.578	5.141	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2ccccc2s1	41503169	PVTFGKVZLBPMDC-GOSISDBHSA-N	412.474	5.430	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	41552160	TUKVJPYEEAALOA-HNNXBMFYSA-N	419.403	5.085	30	20	HKED	
N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3-c3cccs3)CC2)cc1	43913785	ONSPYKGFFZJEFS-UHFFFAOYSA-N	416.550	5.027	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)n2)cc1	46706715	WNKPYCUMVTUXNV-SFTDATJTSA-N	418.518	5.166	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)o1	51534622	BWPXBDWOMFTNSI-HNNXBMFYSA-N	405.504	5.634	30	20	HKED	
C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	65420921	UIUXVRPHJRPKPD-IBGZPJMESA-N	421.610	5.091	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	78671469	QVVMJYBUKXNZNF-UHFFFAOYSA-N	420.865	5.165	30	20	HKED	
C=CCSCCNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1	195728665	DMSALSBNZIJPSA-UHFFFAOYSA-N	404.582	5.139	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Cl	303399608	ZSANUAMITDAZAN-ZDUSSCGKSA-N	409.338	5.795	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)s1	430598866	UOWHUZBBTDIRHH-AWEZNQCLSA-N	413.449	5.396	30	20	HKED	
COc1cc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1OC1CCCC1	431809184	DJROFYBXJYCEOK-QFIPXVFZSA-N	421.541	5.251	30	20	HKED	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(C)c1	432769697	SZCXUKKVUFLFEH-GCJKJVERSA-N	406.530	5.080	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CCCN2CCCC2)CC1	443934665	DSBYAAAPMZPODV-IBGZPJMESA-N	414.619	5.058	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3ccccc3F)o2)c1C#N	445561673	RFBDITZQZHZICE-UHFFFAOYSA-N	418.453	5.117	30	20	HKED	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	445934619	MBTNLBNYCQJGRA-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C[C@H](NC(=O)CCc1cncc2ccccc12)c1ccc(-c2cccc(C#N)c2)cc1	462622000	TUSVHCGNFAGMOD-IBGZPJMESA-N	405.501	5.583	30	20	HKED	
C=CCOc1ccc(CNCc2ccnc(Oc3cccc(C)c3C)c2)cc1OC	462754684	JTIBQMKXQZFQCL-UHFFFAOYSA-N	404.510	5.354	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1	467813484	LEUUSVGQHGEUDY-UHFFFAOYSA-N	400.881	5.116	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](C)C(=O)c1cccc(F)c1	468481179	ONSQJZPLPDQUNU-INIZCTEOSA-N	417.440	5.041	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc3ncccc3c2)cc1	471294132	WXXPVYSKXZZNMI-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
CC(C)(C)c1cnc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1	472688965	VXLZEHDONBXYRL-SFHVURJKSA-N	422.916	5.603	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	475572374	JIIMIVJPPDAHFS-HXUWFJFHSA-N	420.557	5.125	30	20	HKED	
COc1ccc(-c2csc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)cc1	475923215	YMWYKDPSCKZQMY-UHFFFAOYSA-N	419.550	5.416	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F	476091240	OTKAHFSWCRLLQE-NRFANRHFSA-N	400.469	5.023	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1ccccn1	481372131	LQBCODJEHFVWEB-UHFFFAOYSA-N	407.930	5.328	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	483480772	WUWKEQMYIALVMK-RRQGHBQHSA-N	420.456	5.579	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CCCC#N)c1ccccc1	487571068	WCPZLHCILLSECM-RXVVDRJESA-N	413.359	5.569	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(COC(C)(C)C)c1	491149640	UGXCZXFZKPDOQO-UHFFFAOYSA-N	412.578	5.067	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1c(Cl)cccc1Cl	499829928	DGHQRUICQXJADJ-ZENOOKHLSA-N	424.125	5.240	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc(C)nc21	505338320	OLKRWXYOSOJEEF-SJKOYZFVSA-N	416.312	5.012	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510833976	CWYCZSOOWJHNMU-UHFFFAOYSA-N	405.885	5.450	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(COc2ccccc2C#N)o1	514071689	RCRRASYWEBXQQG-UHFFFAOYSA-N	414.383	5.021	30	20	HKED	
Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	514574859	COKQCCRQORYJFW-DYESRHJHSA-N	406.917	5.399	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccc(OC)cc1	514584611	BNUCVWMNYZEDDY-KRWDZBQOSA-N	407.539	5.120	30	20	HKED	
Cc1nc(C(=O)Nc2nc(Cc3ccccc3)c(-c3ccccc3)s2)ccc1C#N	515240057	WZRVHWHSXLUWLO-UHFFFAOYSA-N	410.502	5.228	30	20	HKED	
N#Cc1ccc(SCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1	515571306	DHDUCRGIZJHMPX-JOCHJYFZSA-N	411.530	5.080	30	20	HKED	
CC(C)(C)n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C1CC1	516270236	QSQYQTXRZXWTIO-QGZVFWFLSA-N	415.522	5.001	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)cc2)cc1	517654198	YQWLZBXDALZTDX-UHFFFAOYSA-N	409.445	5.816	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccccc1Cl	518656055	AXNJLRKSAPSEKK-HUUCEWRRSA-N	404.988	6.025	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	520691356	KLFXPSBABOEOTN-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
C[C@H](NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc(C#N)cc1	521572367	ORFIKCOLFCEJRU-NYHFZMIOSA-N	408.473	5.547	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N	523010824	WWRKDTXMSDKCFH-SIFCLUCFSA-N	417.962	5.632	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c(F)cccc3Cl)cc2Cl)c1	524141688	UKMGCRLSGDWJIZ-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	524942467	JGAZHAVDNNADQP-KGLIPLIRSA-N	421.312	5.163	30	20	HKED	
C[C@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1	530435763	NIDIAJNOTOVCPH-KSFYIVLOSA-N	406.327	5.350	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	532570354	FTTIEQQYXIIZCQ-MISYRCLQSA-N	407.583	5.063	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)Cc1csc(-c2ncccn2)n1	533521810	SHOXZUXBYMQVAY-UHFFFAOYSA-N	415.497	5.126	30	20	HKED	
C=C[C@H](CC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1	534025831	RJPYZRLWEZTJLJ-OAHLLOKOSA-N	405.325	5.140	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)s1	539208552	JSBDVTXOUKSUDD-KRWDZBQOSA-N	418.566	5.455	30	20	HKED	
CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	540640921	RFAISPWNZKWSKS-WOJBJXKFSA-N	401.432	5.571	30	20	HKED	
COc1cccc2[nH]cc(CC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c12	542928939	YPUMPAWPWBUWPW-QGZVFWFLSA-N	409.489	5.135	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1	542975868	JDBBUBFLJFMVHM-RTFZILSDSA-N	405.542	5.179	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c1C#N	543147498	UEGYHZLQWLDFAT-UHFFFAOYSA-N	405.401	5.417	30	20	HKED	
C[C@]1(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO[C@@H]1C1CC1	543292307	FIWRGMWHERYDIV-LSWJPFSZSA-N	409.917	5.075	30	20	HKED	
N#CCc1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	550081652	YDEHALKIYUAHPP-UHFFFAOYSA-N	402.841	5.104	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)CC1	554560029	UXKKHZCCXVIPNZ-UHFFFAOYSA-N	405.448	5.209	30	20	HKED	
CC(C)(C(=O)NCC1(CC#N)CC1)c1csc(-c2c(Cl)cccc2Cl)n1	557061490	LEPXDVDQWTZFRL-UHFFFAOYSA-N	408.354	5.205	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)c2)cs1	559454391	SFLJNNFUDGDGGW-UHFFFAOYSA-N	411.552	5.514	30	20	HKED	
N#CCCC[C@@H](N[C@H]1CCc2c(Br)cc(Cl)cc21)c1ccccc1	572428647	GYFHYXPEHBYWQC-UXHICEINSA-N	403.751	6.115	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)cc2)ccn1	572927452	NXOUYSNZGIVEHO-UHFFFAOYSA-N	406.804	5.272	30	20	HKED	
C=CCn1c(SCc2scnc2C)nc2scc(-c3cccs3)c2c1=O	578581303	NSRQQBOOUWRMTI-UHFFFAOYSA-N	417.606	5.430	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NCc3nc(C#N)cs3)cc2Cl)n1	580262158	MNMAXYAERXNRAK-UHFFFAOYSA-N	405.936	5.222	30	20	HKED	
CC(C)CN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(C#N)cc1	603529004	LURDSKZCQRSOCV-UHFFFAOYSA-N	403.507	5.175	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)cn2)c1	603626880	ICHLYNOAAPNOHT-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1cccc(Br)c1	603968451	SWSCTMUDMWEFQW-UHFFFAOYSA-N	413.296	5.067	30	20	HKED	
C=C1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1	605126763	QTURFNDEAVVCCN-UHFFFAOYSA-N	404.297	5.430	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCOCc3ccccc3)cc2Cl)c1	609062219	GLXCFDJZBLWEKF-UHFFFAOYSA-N	420.896	5.336	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCO[C@H](c3ccccc3)C2)cc1	609252890	WJGSZOREUVGLDU-DEOSSOPVSA-N	413.477	5.346	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccccc3OCc3ccccc3)no2)cc1	609475331	LNWBDHKOJIGGRE-UHFFFAOYSA-N	413.502	5.621	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)c1	609786422	IJTLRLSYUWXBBR-UHFFFAOYSA-N	407.813	5.093	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	609927351	OIAHVAVYFXCLRV-CZUORRHYSA-N	421.394	5.048	30	20	HKED	
CN1CCC[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[C@H]1c1cccs1	610180675	LXOCMEROFWZNKM-CYFREDJKSA-N	415.562	5.100	30	20	HKED	
C[C@@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1cccc(C#N)c1	610362847	AVMQOSBCINSCBU-QGZVFWFLSA-N	417.534	5.072	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4cccs4)nc3C)n2)cc1	613315271	KBXDSUPXHHGIIW-HNNXBMFYSA-N	421.572	6.102	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	617504103	KMRVITJKUIWBHF-JTQLQIEISA-N	400.372	5.630	30	20	HKED	
N#C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc(Cl)cc1	619864079	OUHILPDRDUPWGK-LJQANCHMSA-N	407.882	5.048	30	20	HKED	
O=C(c1ccc(OC(F)F)c(F)c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	622584725	IONWFYHJSYDZBI-GOSISDBHSA-N	421.312	5.157	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C	685477625	BSJBKPDFMBPHQQ-UHFFFAOYSA-N	422.579	5.631	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3c(Cl)nc(Cl)n3C)s2)cc1	728439600	BKTJWXGNDOWQHN-CMDGGOBGSA-N	408.310	5.064	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2cc3sc4ccccc4c3s2)c1OC	729429667	OLTRKUFFERTEJT-CQSZACIVSA-N	408.504	5.128	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c(F)c2)cc1	731332811	RVDDKYLTCXCPCD-INIZCTEOSA-N	420.509	6.148	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3cnc(-c4ccccc4)s3)cc2)nc1	731991014	NAWRBASNQVMNEV-UHFFFAOYSA-N	413.458	5.226	30	20	HKED	
Cn1nc(-c2ccccc2)c(C=NNc2ccc(OCC(F)(F)F)cc2)c1Cl	734748366	OGAMNICSHCOSEF-UHFFFAOYSA-N	408.811	5.128	30	20	HKED	
COc1cc(CSCc2ccc(Cl)nc2)ccc1OCc1cccc(C#N)c1	735084351	KBSGSVVWVKODPL-UHFFFAOYSA-N	410.926	5.628	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)OCc1cc(Cl)ccc1OCC#N	735345379	UWYHCVXYQCLHAD-LLVKDONJSA-N	414.672	5.060	30	20	HKED	
O=C(/C=C\c1cnc2ccc(Br)cn12)c1nc(-c2ccccc2)cs1	740765899	ZSCUVAMDKWBYDX-FPLPWBNLSA-N	410.296	5.116	30	20	HKED	
CC(=NNc1c(F)cc(F)cc1Br)c1c(C)nn(-c2ccccc2)c1C	741767810	NLOUEXDVEBFWEH-UHFFFAOYSA-N	419.273	5.366	30	20	HKED	
O=C(/C=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1c(Cl)nc2sccn12	743055684	ITCZWRIJTRZCFA-MFBWXBCUSA-N	423.321	5.157	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@]34CCCc3ccccc34)n2)cc1	744062707	VVEGPBLJAQGLNC-ZJCBTPCYSA-N	414.530	5.289	30	20	HKED	
CCn1c(-c2ccccc2)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S	746056262	WTCAVQJKJACLQR-UHFFFAOYSA-N	405.571	5.088	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)cc1OC(F)F	746347280	YJZBJZYCPDYCSE-UTCJRWHESA-N	416.392	5.516	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)NCc1ccc(Br)cc1	747649079	ACEYEQXZIFIOOW-CYBMUJFWSA-N	420.401	5.187	30	20	HKED	
Cc1nsc(N(C)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C#N	748235939	QYSQGIKCGRJCNK-UHFFFAOYSA-N	413.955	5.546	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc2ccccc2c1	753394771	LPXBLICTDMKSSO-XOBRGWDASA-N	424.472	5.606	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)c1	755164071	AGMMDKVOOCDGDP-LADGPHEKSA-N	417.484	5.095	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(Cl)ccc2O)cs1	757469113	ZAXILEANPJFLGF-UXBLZVDNSA-N	412.898	5.391	30	20	HKED	
CCOc1ccccc1C=NO[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	757614976	NZVGCJRFKPBQLV-LBPRGKRZSA-N	406.269	5.554	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	757874206	GYDAREDPTIUQKD-LJQANCHMSA-N	410.260	5.017	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(OCC(F)(F)F)c(F)c2)S1	757920951	UMMPPGVNLURPBB-SXGWCWSVSA-N	424.419	5.275	30	20	HKED	
Cc1ccccc1-c1nc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)no1	760456018	QSKRIYJWXPESGA-UHFFFAOYSA-N	414.440	5.247	30	20	HKED	
O=C(/C=C/c1cncc(Br)c1)c1ccc(Br)cc1Cl	767360919	UCXITGQXZRTWMJ-DAFODLJHSA-N	401.485	5.156	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1nc(C(F)(F)F)cs1	767378438	GWXGLRGYQNZEST-UHFFFAOYSA-N	410.368	5.627	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C/c2ccnc(Cl)c2)cc1	770416460	SNIBQSZNGQHIKP-YCRREMRBSA-N	405.841	5.059	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1	770576891	QLJLFPKGQNHXRY-ADXZGYQBSA-N	404.535	5.038	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)N[C@H](C)c3ccc(OCC#N)cc3)cc2)c1	772959413	MKTMZRVMXBGHAB-RTWAWAEBSA-N	400.522	5.888	30	20	HKED	
C/C(=C\c1ccc(C)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	779196318	BDRDUBCENJBJQB-BJRSVTDJSA-N	400.450	5.061	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	779743431	XMDYZAMASZNVAM-GCJKJVERSA-N	405.542	5.051	30	20	HKED	
O=C(/C=C/c1cc(Cl)cc(C(F)(F)F)c1)c1ccc(N2CCC(O)CC2)cc1	780186862	NMYMUMNGNOICOI-LZCJLJQNSA-N	409.835	5.216	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1	780680724	IAJJHGRQWVOCBE-HNNXBMFYSA-N	423.419	5.370	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1	780686015	YVXZMMUULHRNRE-AWEZNQCLSA-N	418.478	5.169	30	20	HKED	
C[C@@H](NCc1ccc(Br)c(Br)c1)c1ccc(C#N)cc1F	784681651	QDYGSLZTLDDXFE-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nccc3ccccc23)cc1	792101528	OADBSDCCPWDHPN-NRFANRHFSA-N	400.478	5.109	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	792924830	PELAROPPLQKDPN-FPYGCLRLSA-N	415.333	5.322	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNCc2c(Cl)cccc2Cl)cs1	793114277	JXXBZSLNHVYQJQ-UHFFFAOYSA-N	419.337	5.258	30	20	HKED	
CCO[C@@H](C)c1nc(CON=C(C)c2ccc(Br)cc2F)cs1	795246905	VTJVVJDWHKUQEZ-NSHDSACASA-N	401.301	5.083	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(C)c(OC)c(Cl)c2)ccc1OC	796827227	SEAGIDDFHRDCJA-CRAIPNDOSA-N	402.922	5.197	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1	797569766	WILUYHGHQXAVDZ-INIZCTEOSA-N	409.580	5.600	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sc2cc(Br)ccc2c1Cl	798038189	UKLKDDJUEBAVKB-BMIGLBTASA-N	414.752	5.028	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	802046050	YSUXUSPJOSPBEC-WFASDCNBSA-N	411.305	5.337	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(C(F)(F)F)cc1	810823158	JYUOUBSIFMDTIZ-AWEZNQCLSA-N	411.383	5.507	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2nccc3ccccc23)cs1	811699506	SQNKMXDWPTUXFG-DHZHZOJOSA-N	417.465	5.411	30	20	HKED	
N#C[C@H](C(=O)CCc1cncs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	815911683	KHCZRVUWXSJMAT-CYBMUJFWSA-N	408.335	5.382	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C)[C@H]2CCCc3ccccc32)c1=S	818259321	CGVOPVDTEQRRDU-NRFANRHFSA-N	420.582	5.243	30	20	HKED	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12	915085021	CYUXQTBGLTWQEK-QFIPXVFZSA-N	421.504	5.062	30	20	HKED	
Cc1sc2ncn(N=Cc3cc(C)n(C4CC4)c3C)c(=O)c2c1-c1ccccc1	916284042	IHKYPROVMYSRIQ-UHFFFAOYSA-N	402.523	5.069	30	20	HKED	
N#CCOc1cccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1	916409470	FIHHZJNVUPGDLV-UHFFFAOYSA-N	419.893	5.771	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995745	GZILCTPMADBVAN-HNNXBMFYSA-N	419.308	6.065	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917042826	FBBBONDFMYMUFH-SMDDNHRTSA-N	405.306	5.555	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1	917046738	NTJAGLJPRRDXBC-GOSISDBHSA-N	420.925	5.171	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc3ccccc3n2)cs1	917532856	ZFZZXVGDXPGNBU-UHFFFAOYSA-N	421.913	5.475	30	20	HKED	
C=CCN(C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)C(C)C	919912679	SPNZDJQRZFJMFA-UHFFFAOYSA-N	420.435	5.778	30	20	HKED	
C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	921005230	COTRJDUNYWFJFX-SFHVURJKSA-N	402.469	5.288	30	20	HKED	
COc1ccc(OCc2ccccn2)c(C=NNc2ccccc2C(F)(F)F)c1	921254099	RYTKCZKLRLQJLX-UHFFFAOYSA-N	401.388	5.134	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)C(C)C)C2	1798591023	KUJSVKSMESOANV-BJESRGMDSA-N	410.602	5.057	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)CCCCC)CC1	1831448251	NBFNCQJEYSHBHO-QUCCMNQESA-N	412.565	5.034	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(C)c1	10174366	IYUYVQRNTVXDPE-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(Br)s1	21072969	PZASVMLPZRODEP-UHFFFAOYSA-N	411.324	5.022	30	20	HKED	
Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n(C2CCCCC2)c1C	22215952	JMCJOEAUOGALKT-UHFFFAOYSA-N	402.951	5.261	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccccc1Cl	49724049	WVHMHHCYSRTVPZ-OAHLLOKOSA-N	407.857	5.113	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCCCc2nc(-c3ccccc3)no2)n1	61385964	ITYAYLBCSFNWKK-UHFFFAOYSA-N	404.417	5.055	30	20	HKED	
CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(OCC#N)cc1	303469439	MYBFDYPGTMSVMR-UHFFFAOYSA-N	419.352	5.513	30	20	HKED	
O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)cc1C(F)(F)F	428511895	PYMRSQVFPVHHND-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CCOc1ccc(-c2nc(NC(=O)c3cccc(SCC#N)c3)sc2C)cc1	429929175	RQMHWSHKHJVFGX-UHFFFAOYSA-N	409.536	5.385	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	430908035	UGNIIDQRXSMQRM-HSZRJFAPSA-N	419.525	5.397	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2	431493422	HSXRWGJGCQJJBD-XMMPIXPASA-N	412.489	5.009	30	20	HKED	
CCNC(=O)Nc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1C	433171669	BXMSMBIQZOIDGD-UHFFFAOYSA-N	414.509	5.199	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)s1	433506241	MQCBRYYOWKIXLD-CQSZACIVSA-N	400.573	5.115	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1	436451100	KENPIFVDNSEKGO-UHFFFAOYSA-N	409.392	5.063	30	20	HKED	
COc1ccccc1CCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438659388	FLDUZWMSGZJPJY-UHFFFAOYSA-N	419.456	5.205	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OC1CCCC1	438853301	OSJZJYBDCKEHEZ-PGRDOPGGSA-N	421.541	5.422	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N	439313257	HFKPQIJGXPKAKX-DYXWJJEUSA-N	407.583	5.145	30	20	HKED	
C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1c1ccc(C(F)(F)F)cc1	441255142	GLFCQZJMWIDFOB-XOBRGWDASA-N	412.415	5.210	30	20	HKED	
C[C@@H](Sc1nnc(COc2ccccc2)n1Cc1ccco1)c1cccc(C#N)c1	442919746	MSOKCGRDWRNRGW-QGZVFWFLSA-N	416.506	5.223	30	20	HKED	
COc1ccc(-c2csc(NC(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1	444030254	DHULXGDDMBPNOF-UHFFFAOYSA-N	416.506	5.329	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	460179439	YRPGUWFMMZYHOX-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(OCc2ccccc2C#N)c1	460216354	UUAKOIYZPKKBGX-IBGZPJMESA-N	411.505	5.012	30	20	HKED	
C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	460335849	PURHWVIGIBSWJU-LJQANCHMSA-N	411.505	5.278	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1	460859515	DHGDUVVHHKZHJU-HXOBKFHXSA-N	404.897	5.404	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1	461685136	SUUMVTCAINMUFQ-UHFFFAOYSA-N	404.514	5.151	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	463817430	WVWLIDBNMNAMFM-FNZWTVRRSA-N	411.549	5.818	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)[C@@H](C)c1cccc(C#N)c1	464136977	CKURBHCZMFUWHC-KRWDZBQOSA-N	402.519	5.601	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3ccc(Oc4ccccc4C#N)cc3)o2)cc1C	467403411	WHPBQHURKKQYDX-SFHVURJKSA-N	410.477	6.191	30	20	HKED	
Cc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1Br	470044906	UGVIKZNYHBJMDU-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1	471291453	FJIMNKBDMDDSFT-CXAGYDPISA-N	419.403	5.164	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCC1(CCOCc2ccccc2)CC1	471573336	XSWUYENXQJFAMG-UHFFFAOYSA-N	410.517	5.342	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c(Cl)c1	472344682	GSVLKNTUEQFUSZ-UHFFFAOYSA-N	422.916	5.445	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2	473775621	KRTDRNYNIOMIMP-UHFFFAOYSA-N	406.507	5.058	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)C[C@@H](CC#N)c1ccccc1	474692412	NLUZMLGJUBVIRR-HXUWFJFHSA-N	404.535	5.373	30	20	HKED	
CN(Cc1cccc2ccccc12)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479167129	PHFAHLLJFBEMRB-UHFFFAOYSA-N	413.521	5.243	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N(C)c3cc(Cl)ccc3C#N)ccc21	479571522	UHBUEDVTODBZKM-UHFFFAOYSA-N	420.822	5.438	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3cc4ccccc4o3)no2)nnc1-c1ccco1	480325250	HBARTNUEEIIUCO-UHFFFAOYSA-N	419.466	5.203	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C)c(C)n2CC(C)C)c1	480625510	KZVFMZLNBAKHJX-FQEVSTJZSA-N	412.603	5.200	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)c(Cl)cc1OC	482229201	DYDISTARAWRVQJ-UHFFFAOYSA-N	411.333	5.390	30	20	HKED	
CCS[C@@H]1CCC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	482230498	RZUOXXAYLBTGPE-VQTJNVASSA-N	410.608	5.645	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1cnc2ccccc2n1	483204688	SIXKWSIPBTYRAR-HXUWFJFHSA-N	413.864	5.352	30	20	HKED	
Cc1cccc(CN(CC(=O)c2cn(CCC#N)c3ccccc23)Cc2ccccn2)c1	485128054	VXNXLWWMWPXBLQ-UHFFFAOYSA-N	422.532	5.144	30	20	HKED	
Cc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)sc1-c1ccc(F)cc1	486212764	DULNBIWWWQOLIZ-UHFFFAOYSA-N	422.481	5.194	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1C	488921985	VJHNYNFMZHQFFR-LJQANCHMSA-N	420.582	5.484	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1)O[C@H](C)C2	499956505	RBNGMUDCZPCLTL-FHZYATBESA-N	418.537	5.073	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	502645824	YHDMEJDWWXWUFV-GOSISDBHSA-N	418.566	5.611	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc(F)ccc3SCC(F)F)CC2)cc1	503461070	LYPOMCXKFSJIOH-UHFFFAOYSA-N	417.456	5.376	30	20	HKED	
Cc1cc(F)cc([C@@]2(F)CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1	505325908	QKWZIQDVOAQAEO-OPAMFIHVSA-N	415.509	5.631	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1	505999929	QXUUPYVWQGQUJR-MRXNPFEDSA-N	422.510	5.053	30	20	HKED	
CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N(C)[C@@H](C)CC#N	506947778	PXCFDTNWWDZTTR-LBPRGKRZSA-N	405.907	5.011	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1	510035094	LXKFVXNLVPGDGZ-UHFFFAOYSA-N	409.489	5.205	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1-c1ccc(F)cc1	510588444	JRWGLXHYDJRWEG-UHFFFAOYSA-N	412.515	5.587	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cnn1-c1cccc(Cl)c1	513660980	OZIRAKFXVQBEHH-KRWDZBQOSA-N	417.900	5.026	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c1	513857020	FVBJLFANGKSJJP-UHFFFAOYSA-N	419.308	5.668	30	20	HKED	
COc1cc(CNc2ccc(C#N)c(C(F)(F)F)c2)ccc1OCC(F)(F)F	518296161	JUQLFTYOWUAUFA-UHFFFAOYSA-N	404.310	5.139	30	20	HKED	
Cc1cc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc12	518653009	PYMJZNPGZMLMOJ-INIZCTEOSA-N	407.564	5.668	30	20	HKED	
Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N	518654594	IORYNDAJZANZLU-KRWDZBQOSA-N	422.579	5.306	30	20	HKED	
Cc1[nH]c2ccc(CNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2c1C	518896328	JQACCHFOGMFJGN-UHFFFAOYSA-N	415.522	5.025	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1	519452281	WYXQJBSJFVRRBW-AWEZNQCLSA-N	405.470	5.204	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1cccc(CC#N)c1	521601993	SRGUFLNOCQPTRU-UHFFFAOYSA-N	405.473	5.032	30	20	HKED	
Cc1ccc(CCC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1	521747990	HEYYAKZWPRDXGC-HXUWFJFHSA-N	421.610	6.124	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1cnn(C(C)C)c1	522132744	GGVRHFVYQVUTJL-QGZVFWFLSA-N	403.486	5.319	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c12	524101028	IIBNCRDRMZQWAU-UHFFFAOYSA-N	406.829	5.384	30	20	HKED	
CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	525425441	XIMJUUNMPWZBLQ-PLMTUMEDSA-N	423.944	5.019	30	20	HKED	
COC(=O)c1cccc(CNc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1C#N	530381422	HSEJJYLDAQJQHT-UHFFFAOYSA-N	417.412	5.099	30	20	HKED	
COc1cc(F)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1OC	530645457	WBJWPVUXPGATAM-UHFFFAOYSA-N	408.454	5.118	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccccn2)ccc1Cl	535854766	HVTYQCNMUDUWPF-NZQKXSOJSA-N	401.897	5.314	30	20	HKED	
C[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1	536834328	UQHCHZGNYPUVKN-NBGIEHNGSA-N	410.521	5.609	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H](CCC#N)c1ccccc1	541067835	MQGGKTCPNBOCIW-GOSISDBHSA-N	413.399	5.444	30	20	HKED	
CC(C)C[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccs1	543485667	GTQZPNCYSHTWPO-SJLPKXTDSA-N	401.601	5.315	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1	548170707	CCYVYJPZMOIWOE-KRWDZBQOSA-N	411.811	5.448	30	20	HKED	
COCCSc1ccc([C@H](C)NC(=O)c2sc3ccc(C#N)cc3c2C)cc1	550681533	PEOSYNOPKGKBBW-HNNXBMFYSA-N	410.564	5.311	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)N[C@@H]3CCCc4cc(C#N)ccc43)s2)cc1	552922336	DFGQSHUZBFSLKE-OYHNWAKOSA-N	403.551	5.727	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)cc1	554179857	QNTSGKVOHAKARB-WMZHIEFXSA-N	403.526	5.116	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1	554750564	NYTVQMPLIQVKOV-UHFFFAOYSA-N	408.914	5.120	30	20	HKED	
N#Cc1ccc(N2CC[C@H](c3nc(-c4ccc(Cl)cc4Cl)no3)C2)c(F)c1	554824557	YARNIVJXRLFKLX-LBPRGKRZSA-N	403.244	5.048	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1cc(C(F)(F)F)ccn1	558671592	DQFRFWCSTUXTRF-AWEZNQCLSA-N	417.774	5.431	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)sc21	562302720	VOCORKHUEKKHAY-UHFFFAOYSA-N	422.460	5.291	30	20	HKED	
N#CC[C@H](Cc1nc(Cc2c[nH]c3ccc(Br)cc23)no1)c1ccccc1	583531344	YDQGKDMSYJBLFJ-OAHLLOKOSA-N	421.298	5.144	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	586673431	QAXCHQBHMUHHMR-UHFFFAOYSA-N	403.404	5.164	30	20	HKED	
COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cs1	592974349	QXYSECLDMXJHDQ-ZDUSSCGKSA-N	409.467	5.058	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2c1	604003602	GORSJHYGEFBCIO-UHFFFAOYSA-N	421.500	5.749	30	20	HKED	
Cc1cc(C)c(NC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1	604006943	CDMCCHOTQDWDMY-UHFFFAOYSA-N	419.912	5.458	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1cccc(C)c1	604500868	UDHXVZDEMMFHDB-UHFFFAOYSA-N	415.493	5.340	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Nc4ccccn4)n3)n2)cc1	606145046	GWOAWVDJLOTPQT-OAHLLOKOSA-N	417.519	5.204	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCSc4ccc(Cl)cc43)o2)cc1	609056947	KKPSKFQEFXMTRH-UHFFFAOYSA-N	410.882	5.136	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1	609081139	HLTAAECRRYLCSY-OAHLLOKOSA-N	414.437	5.138	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccccc2-c2nc3ccccc3s2)c(F)c1	609252651	XRIPHTCIUSAVBY-UHFFFAOYSA-N	402.454	5.296	30	20	HKED	
CCCN(C(=O)c1cnn(Cc2ccccc2Cl)c1)c1cc(Cl)ccc1C#N	609286394	WFKFTZRJIDUADQ-UHFFFAOYSA-N	413.308	5.167	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	609385639	DHPKERQKPNZNQY-NQIIRXRSSA-N	423.582	5.255	30	20	HKED	
N#C[C@H](NC(=O)c1csc(-c2c(F)cccc2F)n1)c1cccc(C(F)(F)F)c1	609460407	LFELJVLTGYIBJW-AWEZNQCLSA-N	423.366	5.102	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	609521619	LBAZMUUQRKIRFU-WOJBJXKFSA-N	421.610	5.220	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2oc3c(Cl)cccc3c2C)c1C	610054119	RYYLQAIVBBIUEU-UHFFFAOYSA-N	404.857	5.321	30	20	HKED	
C[C@@H](NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cccc(C#N)c1	610362782	HGSCGMNBHCTHBV-IVZQSRNASA-N	408.860	5.348	30	20	HKED	
CC(C)C[C@H](C#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1	611250408	CUPIQUDZEHDVNW-QGZVFWFLSA-N	417.372	5.409	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	613404706	UZHGINNOVAGMET-SNVBAGLBSA-N	415.223	6.112	30	20	HKED	
O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	676575664	HLTZMELUCMQZOK-DTORHVGOSA-N	413.667	5.172	30	20	HKED	
C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nc(C(F)(F)F)cs1	681049696	OLIJUSSCDUUIHA-HXFLIBJXSA-N	414.337	5.722	30	20	HKED	
Cc1nc(CC2CC2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	682766244	RKEVOBPPKKWGHA-GFCCVEGCSA-N	421.469	5.523	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(F)c2)[n+]2ccccc2CC)c1	726572956	RUJIOBQKVUHMAA-UHFFFAOYSA-O	421.492	5.119	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1	726940535	NETHWBJASSWEAF-UHFFFAOYSA-N	413.481	5.141	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1	727935488	RYZWDUGKEDHHAL-UHFFFAOYSA-N	407.857	5.356	30	20	HKED	
CC(C)N(C(=O)c1cc2ccccc2n1CC#N)c1ccc(Nc2ccccc2)cc1	729653413	SCJVINUBXOJDSR-UHFFFAOYSA-N	408.505	5.964	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c2ccccc21	731277858	SQERXHVCIDNOOA-DHIUTWEWSA-N	422.484	5.238	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)c1	733808274	ZCRKBWLAADALPM-QGZVFWFLSA-N	406.313	5.016	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(CCc2ccc(OCC)cc2)CC1)c1ccncc1	734682812	GILIVVCYENNKGS-XMMPIXPASA-N	407.558	5.152	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1	735241981	MWKFJAKRVKMLTM-UHFFFAOYSA-N	407.926	5.908	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1	741209461	KKDRSHCJEAVHLW-UHFFFAOYSA-N	412.493	5.508	30	20	HKED	
COc1cccc(O)c1C=Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	743538608	NVOFHKCIGPUIFP-UHFFFAOYSA-N	420.896	5.284	30	20	HKED	
N#C[C@H](C(=O)CCC1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	744035558	OWVAXTDOCYYBQB-OAHLLOKOSA-N	409.338	5.500	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@]3(C)CCc4ccccc4C3)n2)cc1	744063183	YVRGOMAMTIKJPX-RDPSFJRHSA-N	402.519	5.190	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)sc2c1	744958690	BBFNPIMPLTVIBR-UHFFFAOYSA-N	409.854	5.142	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1	746126380	YRDFEELKHHBOGX-CLJLJLNGSA-N	409.533	5.335	30	20	HKED	
O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2s1)c1ccccc1	748146872	BPKMZGOZCZWXBC-FOWTUZBSSA-N	402.431	5.334	30	20	HKED	
Cc1nc(/C=C/c2ccc(Cl)nc2)sc1C(=O)/C=C/c1ccc(Cl)nc1	748997375	JWMXUSYPHSZZHS-VDESZNBCSA-N	402.306	5.615	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[C@@H](O)c2ccccc2)cc1Cl	750590019	KQFXKWVHXVJPIG-FYYLOGMGSA-N	419.912	5.241	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1OC(F)F	753390599	QUUBITQJHFZIOJ-HVJHFUJKSA-N	408.404	5.073	30	20	HKED	
CC[C@H](/N=C/c1cc(Br)cc(Br)c1O)c1c(C)noc1C	756848331	ZNIDOPDPKIDTTR-VXSOZLBZSA-N	416.113	5.092	30	20	HKED	
C=CC(=O)Nc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1F	758276731	MQIKFXHAALIWDP-UHFFFAOYSA-N	417.465	5.225	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(Cl)cc1Cl)[n+]1ccc(C(C)(C)C)cc1	759054324	KOUAQABOBJLMJV-UHFFFAOYSA-O	420.385	5.012	30	20	HKED	
C#CCOc1cccc(NC(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)c1	759498300	QAZKUWFGCBIJDC-QGZVFWFLSA-N	405.523	5.355	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](Cc2ccccc2F)c2ccccc2)ccc1OC	759997550	COEDRGMGTQRTIL-UPVQGACJSA-N	418.512	5.589	30	20	HKED	
O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccc(S(=O)(=O)C2CCCC2)cc1	761479723	MSHIDFZPDRIMNX-YRNVUSSQSA-N	410.322	5.001	30	20	HKED	
CCSc1ccc(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1	764751789	FYHCNQVSUGWIKO-UHFFFAOYSA-N	410.326	5.055	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3nc(S)oc3c2)cc1	769249213	WMEOAFYUXIAYMJ-UHFFFAOYSA-N	417.515	5.533	30	20	HKED	
COc1ccc2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2c1	770105587	FDRVWJZKCUMLDY-FQEVSTJZSA-N	413.502	5.474	30	20	HKED	
COc1ccc(CN[C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)cc1C#N	773073368	CQBREECBTHNJJB-SFHVURJKSA-N	409.942	5.511	30	20	HKED	
N#C[C@@H]1C(CN[C@@H](c2ccccc2)C2CCCCC2)=CC(=O)n2c1nc1ccccc12	776012463	ZMOIDDAORAXLHF-BWKNWUBXSA-N	410.521	5.135	30	20	HKED	
CN(Cc1ccccc1)c1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1	778103492	SBWKOQRYRVEDID-UHFFFAOYSA-N	407.521	5.207	30	20	HKED	
COc1ccc([C@@H](NCc2cc(C#N)ccc2F)c2ccccc2Cl)cc1OC	779119850	FYPORBFUOAKZHW-HSZRJFAPSA-N	410.876	5.247	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2)c1	780165033	PDQSPWVCWMXCEZ-KBMIEXCESA-N	414.505	5.860	30	20	HKED	
Fc1ccc(NC(=S)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(F)c1	781110598	SJHROIOQXIXUKN-CYBMUJFWSA-N	412.330	5.156	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	781448133	MJLKKCYKXHHSEV-LPHOPBHVSA-N	420.534	5.191	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccnc(SC(C)(C)C)c2)c1C#N	782226885	CIDOGRBZQKSTMR-UHFFFAOYSA-N	423.567	5.004	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nccc2ccccc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	792098681	DSAWFDGVXPZNTJ-QFUCXCTJSA-N	421.541	5.084	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	805597610	WATJTRMCIUQRER-UHFFFAOYSA-N	401.938	5.081	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	811707787	IKWNRDOPQFHXPY-UHFFFAOYSA-N	410.886	5.216	30	20	HKED	
CCc1sc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1Br	815899315	MHRZYTWIXBQODR-GFCCVEGCSA-N	415.312	5.068	30	20	HKED	
CC(C)(C)OC(=O)NCc1cc(NCc2cccc(F)c2C#N)cc(C(F)(F)F)c1	864039337	TYPHNFRGUABXOJ-UHFFFAOYSA-N	423.410	5.353	30	20	HKED	
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2c(Cl)cccc2Cl)no1	904306797	ZOGULQSZKSPZAR-GFCCVEGCSA-N	418.708	5.752	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(N(C)C)cc1	914519702	BCLGXFMSEPSOKK-UHFFFAOYSA-N	415.512	5.238	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	915088665	UIKGAVQWQAUROT-FQEVSTJZSA-N	420.896	5.655	30	20	HKED	
N#C[C@H](C(=O)CCn1ccc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	915104583	SNBSLGABCVNATI-OAHLLOKOSA-N	413.424	5.536	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917042719	DGPYQCQXZKZTPM-PKOBYXMFSA-N	421.909	5.090	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nnc2n1CCCCC2	917505279	NMMQMWYBQOEZQO-FPISAVPCSA-N	422.941	5.276	30	20	HKED	
CCN(Cc1nnc(-c2ccc(Br)s2)o1)[C@H](C)c1ccc(C#N)cc1	919770380	AQILIZKEIIIONH-GFCCVEGCSA-N	417.332	5.015	30	20	HKED	
CC(C)c1cccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920143780	ZZTPPXJZKYVTJR-FQEVSTJZSA-N	401.491	5.060	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(C)s2)cc1OCC	920181535	UZSUHZVESGNKMT-CQSZACIVSA-N	410.377	5.633	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1	920270007	ZOXQXZNYIFLSQV-OAHLLOKOSA-N	402.306	5.321	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2c(F)cccc2F)cs1	920806623	MRMBEMFITAYNKS-IJLUTSLNSA-N	414.399	5.633	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4)cc3)CCC2)c1	1790216190	NEHFHYFVCFXLSF-LJQANCHMSA-N	423.516	5.375	30	20	HKED	
C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CCC2)cc1	1791575932	PSRODYDTCILBJE-XWDORNJCSA-N	414.615	5.045	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3Cl)CCC2)cc1	1791584604	SOGNBWGEUUEICD-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1	1818806995	YKHJYLRUBMRWHJ-QUCCMNQESA-N	412.578	5.141	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1	2444022	FCNIHTCACDKEHX-UHFFFAOYSA-N	406.898	5.404	30	20	HKED	
N#CCCn1cc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c2ccccc21	6909889	KRESAMQLRHETGD-UHFFFAOYSA-N	408.457	5.048	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(C)c(C)c1	11162857	YUMRNAIDKOSPEC-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	11706498	OGFUVSJGZHKBMP-MRXNPFEDSA-N	413.502	5.165	30	20	HKED	
C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1	47285644	CSGFHSFISJDEDW-GOSISDBHSA-N	412.493	5.012	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161651	MTHLALRVQOMTKE-GOSISDBHSA-N	417.484	5.696	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3c[nH]cc3-c3ccccc3)c2)cc1	53997483	ADEMVUPWZVZWBY-UHFFFAOYSA-N	407.473	5.579	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	303270949	HIGCJQTXFNLOKW-KBMXLJTQSA-N	404.457	5.699	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](c2ccccc2)CC1	303425256	ZLNXMALXDOOIBE-PZJWPPBQSA-N	407.583	5.147	30	20	HKED	
Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1C	303917726	NZVARYPBSZZOCM-VGOFRKELSA-N	407.583	5.331	30	20	HKED	
COc1ccc([C@@H](NC(=O)CSc2ccc(C#N)cc2)c2ccccc2Cl)cc1	409664619	LYKCQMFZUZNQBK-HSZRJFAPSA-N	422.937	5.218	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(C(F)(F)F)c1F	429964650	NDKGOOHPKRWMPF-UHFFFAOYSA-N	415.346	5.464	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCC(F)(F)F)c1)c1nc2cc(Cl)ccc2s1	431134873	DTJPXDLDXGVKQQ-ZDUSSCGKSA-N	410.804	5.381	30	20	HKED	
Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2s1	433141065	LVDSOOJNCABVLJ-MRXNPFEDSA-N	400.488	5.090	30	20	HKED	
CCO[C@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C12CCCC2	437123687	FNSWWKXQBGPQMT-GOTSBHOMSA-N	420.578	5.318	30	20	HKED	
C[C@@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	439611863	ONSGIWMTQPJQCR-QGZVFWFLSA-N	419.912	5.368	30	20	HKED	
COCc1nc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c(-c2ccccc2)s1	442551149	ROWNFGKCOWQGJT-AWEZNQCLSA-N	411.552	5.201	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	445695619	WOTDBGRYCDCFLT-UONOGXRCSA-N	424.957	5.765	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cncn2Cc2ccccc2)cc1	445819359	POYMEUOIYYGUQH-UHFFFAOYSA-N	410.496	5.145	30	20	HKED	
COc1ccc([C@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2Cl)cc1	446031779	QMOPUWDBNOMAJE-NRFANRHFSA-N	412.823	5.018	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Cl)c(Cl)cc2F)c1	466571403	CQDXLZOIROGVPC-UHFFFAOYSA-N	405.212	5.428	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cn2)cc1	469485059	BMEVFYYLJLYVQM-UHFFFAOYSA-N	405.841	5.001	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc2c1CN(c1nccs1)C2	469932537	KJEPJMDMYALVKR-UHFFFAOYSA-N	404.539	5.274	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3CCC3CCCC3)ccc21	470534131	YFTJKNYKSUSRDD-QFIPXVFZSA-N	422.573	5.236	30	20	HKED	
CC(C)(C#N)CCCN(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1	472423889	GKOZGAGRJQUMBX-UHFFFAOYSA-N	401.913	5.250	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	475946753	QSEBTYWNOGZBIF-INIZCTEOSA-N	411.958	5.922	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C[C@H](CC#N)c2ccccc2)C1	476360124	VMTXZTPZDSYRNR-PBEJRMEISA-N	400.444	5.702	30	20	HKED	
CC(C)c1c(NC(=O)c2ccc(C(C)(C)C#N)cc2)cnn1-c1ccc(Cl)cc1	477016045	BSZQNAURHPIFMZ-UHFFFAOYSA-N	406.917	5.703	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3C#N)c3cnn(C(C)C)c3n2)s1	479695928	UNUGXBIVMSIJOA-UHFFFAOYSA-N	415.522	5.197	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F	487164195	BOJDXFZUPMUIPA-GJZGRUSLSA-N	408.317	5.422	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@H](CCCC#N)c2ccccc2)c1	487359991	ULMPWINXNLZTIC-JOCHJYFZSA-N	418.566	5.133	30	20	HKED	
COC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	488289099	AQSAOJVPKUPYNL-KDOFPFPSSA-N	403.935	5.101	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1	499897386	UFKFPMSUXBHWQU-KSFYIVLOSA-N	420.513	5.384	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	501552077	HZIBCSOYVGFTFT-MRXNPFEDSA-N	401.860	5.439	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Br)c1Cl	503136346	FGSPUFSFUHCJBF-LLVKDONJSA-N	409.736	5.749	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1	505045267	HLQLKMQODKJGPX-IBGZPJMESA-N	424.545	5.063	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1	505958907	BZELLOYJAKTZHY-PELKAZGASA-N	418.143	5.302	30	20	HKED	
CCOc1cccc(CNC2CCC(C#N)(c3ccccc3)CC2)c1OC(F)F	507617781	PZABZICQFFVADQ-UHFFFAOYSA-N	400.469	5.180	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c(C#N)c1C	511829781	LYQOAWJLBRUHKF-SOVGHPHASA-N	419.447	5.040	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)cc1	513191474	NWMPSHXUEMYVKZ-MRXNPFEDSA-N	415.440	5.837	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccn(Cc2ccccc2)c1	513669820	PNUMVMBEKNQJET-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1	513822471	CUADIQJCGCSGMF-UHFFFAOYSA-N	420.296	5.063	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)cc2)nc1	514959462	VSCOWRICOGZEIY-SMIHKQSGSA-N	409.489	5.154	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1	518516616	OPMGMAOKZQQBPT-INIZCTEOSA-N	418.396	5.207	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccccc1C(F)(F)F	519098656	VRLBEYQPXIMGMJ-UHFFFAOYSA-N	410.395	5.859	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccc(C(C)C)cc1	520012306	YQMNMDKNYDTTJT-UHFFFAOYSA-N	415.493	5.585	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)C3(Sc4ccccc4)CCCC3)CC2)c1	520316362	JLTBOKQETNBUJP-UHFFFAOYSA-N	406.551	5.033	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCOc2ccccc21	520835701	SSASKQPKSWIWFM-OAHLLOKOSA-N	406.429	5.216	30	20	HKED	
CCCc1noc(CCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	521475268	ZYBWKBNAMCKANC-IBGZPJMESA-N	422.916	5.292	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)[nH]c12	524034953	HYKOXLKHKHHJNJ-LJQANCHMSA-N	409.449	5.005	30	20	HKED	
CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	524347732	PLYHYPOMEILDHJ-JOCHJYFZSA-N	400.547	5.602	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1	525004343	NORHPCLSGGUQED-LBPRGKRZSA-N	415.946	5.245	30	20	HKED	
C[C@@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1C(F)(F)F	525052319	MVECNIXDCDUDIA-INIZCTEOSA-N	416.443	5.141	30	20	HKED	
N#Cc1ccc(-c2nnc(CSc3nnc(-c4ccccc4)c4ccccc34)o2)cc1	525110287	BUTIUDATZVHIOL-UHFFFAOYSA-N	421.485	5.511	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1csc(C(F)(F)F)n1	530304291	OFEZNCLKORCIST-UHFFFAOYSA-N	406.254	5.034	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)cc1Cl	534211432	QBGFGFKKGQDNND-UHFFFAOYSA-N	406.791	5.339	30	20	HKED	
CC(C)CN(C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1ccc(C#N)cc1	536040423	ODWFAIOHQOXCFZ-UHFFFAOYSA-N	411.505	5.138	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccccc1	537156306	FMHXGXXKOOGLLO-HSZRJFAPSA-N	419.594	6.187	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccccc2-c2nc[nH]n2)cc1Cl	538871595	NWSLSTGOPJMSQU-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
Cc1cccc(C2=CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	538946389	YEHXTGJKRZVAMK-LJQANCHMSA-N	405.567	5.117	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1nc2c(cc1C#N)CCCC2	539374937	ATRWQNWSMDRDDD-UHFFFAOYSA-N	408.914	5.170	30	20	HKED	
C[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)c(F)c1	539606631	MYGNPNODTCXGAQ-LBPRGKRZSA-N	405.420	5.690	30	20	HKED	
N#CCCCOc1cccc(N[C@@H]2CCCOc3c(Br)cccc32)c1	540726343	PFKICXMOWRITCN-LJQANCHMSA-N	401.304	5.457	30	20	HKED	
Cc1nc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nc2ccccc12	541094638	GVQNXPHOMPVUSA-KRWDZBQOSA-N	421.504	5.037	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c4ncccc34)n2)cc1	549079893	JTPMNQOKVIPHMG-QGZVFWFLSA-N	414.877	5.373	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc3cccnc23)cc1Cl	552142076	IIKBYTABPCMVEX-JOCHJYFZSA-N	411.892	5.725	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCC(C)(C)CCC#N)cc12	557999394	DIMMLNDPPFDZPW-UHFFFAOYSA-N	414.962	5.168	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1scnc1C	558999191	QUVPMWPGXMTWLP-OAHLLOKOSA-N	417.966	5.049	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](c2cncc(Br)c2)C2CC2)ccc1OC	560065134	MHMNKMHTOKWBFX-OAQYLSRUSA-N	417.347	5.049	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(C(F)F)ccc2Cl)c1	561843236	VEFQUJQZADPMQU-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
N#Cc1cc(Oc2ccc(N[C@@H]3CCCN(c4ccccc4Cl)C3=O)cc2)ccn1	562232282	KJJWYGSCTOLAPA-OAQYLSRUSA-N	418.884	5.006	30	20	HKED	
Cc1ccc(N(C(=O)Cc2c(F)cccc2C#N)c2nc3ccccc3s2)c(C)c1	565623242	ZOWJNVBABJWPCM-UHFFFAOYSA-N	415.493	5.831	30	20	HKED	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	576676073	BFJFJIFNQNPUBV-QMHKHESXSA-N	400.503	5.103	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(C(F)F)ccc3Cl)c2)c1	577897601	ZXONKXACHBBBJD-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1C	598583530	OJSUXRGQUNYPKS-MRXNPFEDSA-N	417.534	5.438	30	20	HKED	
CCOc1ccccc1OCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	603533217	UARNNKRBOIDDMB-UHFFFAOYSA-N	418.468	5.017	30	20	HKED	
CCc1nc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2nc1CC	603622662	VYILYKQPPMVVSX-UHFFFAOYSA-N	423.476	5.066	30	20	HKED	
C=CCCCN(C)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	605915797	ABDGEOALYSECQA-UHFFFAOYSA-N	419.447	5.696	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nc2sc(C)c(C)c2c1=O	607288201	XBUYEDLPBWYOAK-OAHLLOKOSA-N	423.563	5.769	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(OC(F)F)c1	609062687	VTEJDYYYEARANI-UHFFFAOYSA-N	408.404	5.299	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)C3(c4cccc(F)c4)CCOCC3)c2)cc1	609176263	DOWQMAVRLPADAU-UHFFFAOYSA-N	416.452	5.177	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccn1	609207352	RVVLAURBPYVDJA-DEOSSOPVSA-N	414.509	5.390	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1	609434716	LFLMCEQPWCMRKU-HOTGVXAUSA-N	422.554	5.312	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(-c2ccccc2OC)c1	609526659	NJOPXPFZGGPCMK-UHFFFAOYSA-N	416.477	5.040	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)N2CCCCC[C@H]2c2ccco2)CC1	609934955	JIHQTPDASFQXAE-CBNMVNINSA-N	407.514	5.168	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1	610166707	KDWHUNIKYMXFJQ-SFHVURJKSA-N	408.571	5.355	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	610240182	QGNZOSKDPLOORR-BDJLRTHQSA-N	400.322	5.209	30	20	HKED	
N#CCn1c(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc2ccccc21	610889608	NWBNENDMAWFERK-UHFFFAOYSA-N	406.489	5.032	30	20	HKED	
N#Cc1cc(CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)ccn1	610957099	RGASPLVFSYWSGM-UHFFFAOYSA-N	410.930	5.114	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)sc2c1	611572782	JMBGPMPOUBTZID-UHFFFAOYSA-N	410.861	5.312	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2ccccn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	611854271	KUCCBWVURURACT-LJQANCHMSA-N	410.521	5.270	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613345849	AARVUVQPVNVVKG-CQSZACIVSA-N	407.709	6.260	30	20	HKED	
C=CCCO[C@H](C)C(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	620567846	OYIRXFBDJIGKTA-QGZVFWFLSA-N	410.514	5.464	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)o2)cc1	642309460	ZBOOTSMDKXYUNN-UHFFFAOYSA-N	423.428	5.460	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)nc(-c2ccc(Cl)cc2)n1	677564653	YMYIFKUJPWYYBU-OAHLLOKOSA-N	422.872	5.344	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	681402990	AVORIKGRQLRWJH-JOYOIKCWSA-N	404.301	5.535	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	682115606	ZLBVCXWNXOSZFV-KKZNHRDASA-N	416.328	5.172	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2ccccc2Cl)n1	727297912	PEKIYWMKULMGTQ-UHFFFAOYSA-N	419.289	5.606	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1	728248153	GOTSDVAYUVIMSJ-MHZLTWQESA-N	420.512	5.165	30	20	HKED	
Cc1cc(C)c(NC(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1	728668535	XMZNWSGSQQVLAU-UHFFFAOYSA-N	414.461	5.071	30	20	HKED	
N#CCOc1ccc(CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1	731156008	FIULWIPTLDEHBB-UHFFFAOYSA-N	405.523	5.096	30	20	HKED	
CCCCc1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731962131	IMUXUQCTVLMCRZ-VWLOTQADSA-N	418.562	5.441	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)/C=C\c3ccnc4ccccc34)c2)c1	735430797	DNPYFTLUQVNQFD-QXMHVHEDSA-N	405.457	5.337	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCCCc3ccc(Br)cc3)[nH]c12	735788240	BZPYZIGGALCWTI-QGZVFWFLSA-N	410.315	5.223	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCN3c4ccccc4Sc4ccccc43)[nH]c12	735791877	CZMWRYNNVGUGKY-QGZVFWFLSA-N	424.529	5.741	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)c2ccccc2SCC#N)cc1	741727058	HCXNIUAZHFKWCI-KRWDZBQOSA-N	402.519	5.469	30	20	HKED	
O=C(/C=C/c1c(Cl)nc(Cl)n1-c1ccccc1)c1c(Cl)nc2sccn12	741843220	DIAYWYJFMVVVSJ-VOTSOKGWSA-N	423.712	5.438	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1	743204122	YQODVDBWGJGJHT-UHFFFAOYSA-N	405.473	5.039	30	20	HKED	
CCOc1ccc([N+](=O)[O-])cc1/C=C\C(=O)c1ccc(SC(F)F)c(OC)c1	748584321	PZIPCSBMKRMMAO-DAXSKMNVSA-N	409.410	5.213	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1-c1ccc(F)cc1	750396621	CGASUSWAOMRMBE-OAHLLOKOSA-N	409.873	5.584	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1	752474881	YBDOBPCWUUUAPN-GOSISDBHSA-N	402.519	5.623	30	20	HKED	
CC1CCN(c2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)CC1	752626399	SUCVCAGYNIFIOJ-DNQXCXABSA-N	402.542	5.227	30	20	HKED	
C[C@@H](OC(=O)/C=C/c1ccccc1C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	757989638	KYFVOYMKJKEWCE-UVMWJGKXSA-N	414.248	5.233	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc(-c2ccncc2)cs1	759269784	WWKTWNABWOMFEO-QWNKOJSDSA-N	416.893	5.296	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	766469295	QOGUTGPKHYAAOY-YWZLYKJASA-N	407.514	5.407	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)Cc1ccc(Cl)cc1	772642601	YUPGYVBPFMXNPX-XJKSGUPXSA-N	401.844	5.530	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)c1ccc(CC#N)cc1)CCC2	777780065	PXRWUSFVZKKRHE-UHFFFAOYSA-N	405.498	5.001	30	20	HKED	
CCN(C)[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	780311469	CDAIFJVVSOVDCP-UYAOXDASSA-N	409.942	5.333	30	20	HKED	
CCCN1C/C(=C/c2scnc2C2CC2)C(=O)/C(=C/c2scnc2C2CC2)C1	782301141	KHOSVINGVHOOCX-VAQFQWRASA-N	411.596	5.116	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2cc(Cl)c(N)c(Cl)c2)c(-c2ccccc2)n1	788352817	DBUCUKWSEMUUNH-FPLPWBNLSA-N	411.292	5.249	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C34CC(c5ccccc5)(C3)C4)n2)cc1	791781348	BDFXBOFDBSHELW-HLJPNSHOSA-N	400.503	5.117	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2C[C@H](C)CC[C@H]2c2ccccc2)c1=S	795706761	UBOMKSITIDTOMX-NQIIRXRSSA-N	405.571	5.093	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	796763883	NBGDENXQZQYINF-GOSISDBHSA-N	412.946	5.277	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](OC(C)C)c3ccccc3)n2)cc1	796777159	ZAYXXPXKGOHGRH-KNQAVFIVSA-N	406.507	5.161	30	20	HKED	
C[C@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	801700050	FJQQZIIQFCIMNP-WRWORJQWSA-N	400.319	5.069	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccccc1Br)c1cc(C(F)(F)F)ccn1	813213337	KZTYSHNKSUDNPY-AWEZNQCLSA-N	411.221	5.062	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)cc1Cl	913617498	FTVFVUWZLJXZJX-WAYWQWQTSA-N	420.296	5.232	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353942	ZVSOEJZSJXERLO-FQEVSTJZSA-N	424.331	6.313	30	20	HKED	
Cc1cc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)c(C)n1Cc1cccs1	916230100	KZMWSFLHYVLIRI-GHVJWSGMSA-N	408.596	5.154	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(C(C)(C)C)cc1	916903235	LUHNWWZGYGMAOX-XEZIEYNOSA-N	402.538	5.470	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995263	DEODWLZUQQGBGE-YZUOEBHYSA-N	405.331	6.068	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917042972	JPEKQIWNDJCOTK-RRFAQUSLSA-N	406.816	5.858	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCCC3(F)F)cc2)CCC1	1789166825	RNTPCDQIGHONIA-AOMKIAJQSA-N	422.491	5.250	30	20	HKED	
C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1	1791228426	POORPNCRGQGKEW-RNISTEOTSA-N	401.510	5.028	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3cccs3)cc2)CCC1	1791813999	LVOZFBASPKAIBT-SFHVURJKSA-N	408.567	5.179	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	1797877245	WBYYPHBSXWDULB-WKPBDKHMSA-N	414.634	5.224	30	20	HKED	
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1	5255563	AJTJLFJAFKOBCR-LJQANCHMSA-N	416.597	5.013	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(CC)cc2)cc1	23604196	ODYUWVXBAUJZMG-UHFFFAOYSA-O	406.575	5.095	30	20	HKED	
C=CCn1c(SCCCc2nc(-c3ccccc3)no2)nnc1-c1ccc(F)cc1	27360738	WKPZMHYHRRIKGW-UHFFFAOYSA-N	421.501	5.045	30	20	HKED	
N#Cc1c(NC(=O)c2cc3cc(Br)ccc3o2)sc2c1CCCC2	41007236	ROGPJGOUWAUMSM-UHFFFAOYSA-N	401.285	5.260	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1CN1CCc2ccccc21	63392920	AGDSCRYWCMWNFT-UHFFFAOYSA-N	422.532	5.341	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)Nc3cccc(OCCCC#N)c3)cc2s1	65074127	RBBPFIVBQPWBJZ-UHFFFAOYSA-N	414.556	5.139	30	20	HKED	
Cc1sc(NC(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)c(C#N)c1C	216480589	JASDQTSOCRUTIA-KRWDZBQOSA-N	419.550	5.144	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCSc4c(F)cccc43)c2)c1	237798963	HGRJBFQYFIBGFD-QHCPKHFHSA-N	404.510	5.603	30	20	HKED	
N#CCCn1cc(CNCc2cccc(OCc3ccccc3)c2)c(-c2ccccc2)n1	237832483	UDYNELVVUCUHRT-UHFFFAOYSA-N	422.532	5.333	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cccc2ccccc12	303418472	XMESBNQQBCPPAL-SFHVURJKSA-N	403.551	5.162	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cccc(SCC#N)c2)C1	409965252	IAUOBQPZDCLTHE-LIRRHRJNSA-N	404.457	5.544	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(Oc2ccccc2F)c1	426835894	KEHRWGWOFBKASL-UHFFFAOYSA-N	418.472	5.005	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc(C3CC3)nc21	430588195	YSJZKUBNDHSSEF-OAHLLOKOSA-N	407.543	5.134	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1F	431334379	YGWJJJXYMJOOCX-IFXJQAMLSA-N	418.310	5.384	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(Br)c1	431964992	DWTGFUBXPOWDEM-PKOBYXMFSA-N	412.331	5.370	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433285750	STSHHYJCSOSGRK-GBXCKJPGSA-N	404.558	5.931	30	20	HKED	
CN(Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(Oc2ccccc2)cc1	434986677	IPWVNFNNHXWYBB-UHFFFAOYSA-N	409.493	5.287	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(CCN2CCCCC2)cc1	437872352	OMDMFHTVLXRXRV-LOSJGSFVSA-N	416.569	5.019	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	438036621	HMQJOAJQULWWNO-CBQOVEMMSA-N	407.583	6.189	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(COCc2ccccc2)cc1	438374698	GCBBGVXCBFQVDE-UHFFFAOYSA-N	413.521	5.719	30	20	HKED	
CCCc1c(NC(=O)N[C@H](c2cccs2)C2CC2)cnn1-c1cccc(C#N)c1	439679398	VUBUNFWJAGEEEM-NRFANRHFSA-N	405.527	5.031	30	20	HKED	
N#Cc1ccc(Oc2cccc(-c3nc(-c4ccc(-c5nnco5)cc4)no3)c2)cc1	445400316	FQZXXXBKPUHMIJ-UHFFFAOYSA-N	407.389	5.118	30	20	HKED	
Cc1noc(-c2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1	460159408	BBHRUUPNSNXFHZ-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
Cc1nc(Sc2nnc(-c3ccncc3)n2C2CCCCC2)c(Cl)cc1C#N	461974626	UFMPIVJTZGBQHQ-UHFFFAOYSA-N	410.934	5.225	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2CCC(F)(F)F)c1	465118509	FDTBLTASLQGYKV-UHFFFAOYSA-N	424.422	5.884	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1	465861073	YGFBLUCWMVTAIJ-SFHVURJKSA-N	407.411	5.303	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1	466309843	WEJZMPQUDMOGGC-HSZRJFAPSA-N	402.881	5.092	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)sc21	470721061	AWLJDFDIYDMCEN-UHFFFAOYSA-N	406.483	5.027	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1	471054279	YZXNETULMHCRPL-FQEVSTJZSA-N	424.331	5.253	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)cc1	471163540	XWJNMEVWEMPTEV-MRXNPFEDSA-N	421.287	5.248	30	20	HKED	
Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1	473820817	KQAXOOAMUJLGMO-SFHVURJKSA-N	419.554	5.205	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCN(Cc2ccccc2)C1	475012295	CXDVFYPJPRIRBJ-CTNGQTDRSA-N	422.598	5.209	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2c(F)c(F)cc(F)c2F)cc1	481149364	BFZGUANPZCRKSM-UHFFFAOYSA-N	414.358	5.140	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CC1CCC1)c1ccccc1	481272823	WZSBDLXVCOMHBV-AVRDEDQJSA-N	407.583	5.398	30	20	HKED	
C=C(C)Cn1c(SCc2csc(Nc3ccccc3)n2)nnc1-c1ccncc1	481349089	QEZVGMIIXMARSD-UHFFFAOYSA-N	420.567	5.409	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nccc2ccccc12	483241291	VIIAYDCMFMRMMG-IBGZPJMESA-N	421.481	6.108	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)n[nH]2)cc1	483448307	VOLPEORHIQGUCF-SFHVURJKSA-N	414.490	5.007	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	483860261	VIVPWBRXKGQLIM-UHFFFAOYSA-N	410.901	5.703	30	20	HKED	
Cc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)n(-c2cccc(C(F)(F)F)c2)n1	486204209	BXBNPZDJBRYQDY-UHFFFAOYSA-N	417.284	5.008	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H](CCCC#N)c1ccccc1	487293523	BRPXTVVYEDELBS-HNAYVOBHSA-N	417.372	5.481	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	487660435	XIDYHGWQPNTFHD-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
CC(C)c1cccc(O[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1	487835400	LJTDNAFLPIFRPH-MRXNPFEDSA-N	404.432	5.040	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C#N)cc4Cl)cc3)o2)c1	494637713	QANPFLPZDIUKET-UHFFFAOYSA-N	414.852	5.489	30	20	HKED	
CCCC[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1cc(C)on1	495469554	IIDCVQMMETVWDX-OAQYLSRUSA-N	404.470	5.256	30	20	HKED	
COc1cc([C@@H](C)NCCCC2(C#N)CCOCC2)ccc1OCc1ccccc1	499597763	AYBVUEKPYSBFJP-HXUWFJFHSA-N	408.542	5.025	30	20	HKED	
N#C[C@H](C(=O)c1cnccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F	501330005	HSULZUCACHGTOD-OAHLLOKOSA-N	404.376	5.109	30	20	HKED	
CCOc1ccccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	502497438	LLCZFNUBJWPBSX-UHFFFAOYSA-N	401.466	5.488	30	20	HKED	
CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	503159387	CVXSEYFXPBSTJV-UHFFFAOYSA-N	406.511	5.033	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)CCC(C)C)cc3)o2)c1	505192683	AXWLDISQGHBIGG-UHFFFAOYSA-N	402.498	5.114	30	20	HKED	
C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C)(C#N)CC1	508866558	LMTLWCOTTZXPJR-QGZVFWFLSA-N	413.953	5.004	30	20	HKED	
CCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@H](C)c1ccc(C#N)cc1	508941901	MSGBZQYNCZZYND-NNAHLOSHSA-N	423.601	5.113	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1Cl	509647338	XGGLDUPGQWPEJC-MRXNPFEDSA-N	418.852	5.074	30	20	HKED	
C[C@@H](CC#N)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	512107952	VBKCKMZHVCBYCY-IBGZPJMESA-N	406.489	5.238	30	20	HKED	
C=C(C)COc1cc(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)ccc1OC	512853006	ZEQHQTYGQOAHMP-LJQANCHMSA-N	410.341	5.170	30	20	HKED	
CC(C)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	518516708	TUWRJWKJNZXUMV-FQEVSTJZSA-N	401.491	5.207	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C2CC2)o1	518902178	UNSMHROVMCSOKE-OPAMFIHVSA-N	413.477	5.267	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	519032348	VYDRPFLTXOMRGB-SFHVURJKSA-N	402.469	5.288	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(O)cc1)Cc1ccco1	520856942	YEBSTZZTCXHYLI-QGZVFWFLSA-N	421.522	5.471	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1	521126171	SDDKXSZOYMRCAG-UHFFFAOYSA-N	424.456	5.658	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1ccccc1	521258644	BUVHSBZSJDNJFK-OAHLLOKOSA-N	420.444	5.073	30	20	HKED	
COCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	521810930	KQPIUFVUDAUHGK-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2ccccn2)C2CC2)c1	522574406	WBKJSVZYZZAJTH-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
CC(C)(C)c1nc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2[nH]1	524519056	QBMWGGDJUUUFDN-UHFFFAOYSA-N	414.465	5.156	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ncoc2-c2ccccc2Cl)cc1	524662955	MUGGJAYOXCILTH-UHFFFAOYSA-N	421.884	5.062	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1	530394502	HDYFTUPTIFYMLB-QFIPXVFZSA-N	402.542	6.092	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(Cc2cccnc2)Cc2ccco2)cc1	532058457	ATPVOZLQJOMMQA-UHFFFAOYSA-N	423.472	5.490	30	20	HKED	
Cc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1[C@H]1CCC[C@@H](C)C1	533887080	ADAWHKHYLNPXTM-AEFFLSMTSA-N	421.570	5.181	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c1	534736496	BIJZPXRXCIJLPA-JOCHJYFZSA-N	403.869	5.280	30	20	HKED	
CC(C)n1c([C@@H]2CCCN2Cc2cccc(OCCCC#N)c2)nc2ccccc21	538729586	ANNDQLBNJGIWQG-DEOSSOPVSA-N	402.542	5.637	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	542717726	HHNMLINYRSVGRG-UHFFFAOYSA-N	403.526	5.585	30	20	HKED	
Cc1cc(C)cc([C@H]2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1	543246585	VCJRUIHULKKVLJ-UXHICEINSA-N	407.583	5.126	30	20	HKED	
Cc1ccc(-c2nc(Cc3noc(CSc4ccc(C#N)cc4)n3)cs2)cc1	547026248	QXYZUIGZFUDONG-UHFFFAOYSA-N	404.520	5.256	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1	553329597	LKXKFCZCCCCONM-UHFFFAOYSA-N	422.579	5.157	30	20	HKED	
CC(=O)N(c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C	554847703	CDUIWEMGCQJMMR-SFHVURJKSA-N	418.566	5.475	30	20	HKED	
Cc1n[nH]cc1C1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1	557172730	FGMAJDUKMCCCIZ-UHFFFAOYSA-N	420.900	5.055	30	20	HKED	
CC(C)(C(=O)Nc1ccc(CC#N)cc1)c1csc(-c2c(F)cccc2Cl)n1	565330750	BACNECSUIOVRND-UHFFFAOYSA-N	413.905	5.585	30	20	HKED	
N#CC1(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)CC1	566730948	VDMPCSQOGPPWER-UHFFFAOYSA-N	415.349	5.696	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2sccc2C#N)C(C)C)s1	568964361	KSDWJNGMIRNYNV-UHFFFAOYSA-N	423.563	5.032	30	20	HKED	
C=C[C@](C)(O)CC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	574561501	JBBSAFRSDREKKI-NRFANRHFSA-N	400.837	5.085	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1cccc(OCc2ccccc2Br)c1	588177856	MSOGTHYKOPAAJZ-UHFFFAOYSA-N	415.331	5.088	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OC4CCCC4)cc3)s2)cc1	603566824	JOMXCZUREDPOFX-UHFFFAOYSA-N	403.507	5.179	30	20	HKED	
Cc1cc(C)n([C@@H](C)CC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)n1	603737881	RMZLYBUFMHTJHZ-IBGZPJMESA-N	404.489	5.004	30	20	HKED	
COc1cccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	604084939	MAEVMEUPSFEICC-KSFYIVLOSA-N	419.912	5.887	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](N4CCCC4)C3)cc2Cl)cc1	604089616	IOBBZCTVLRPADD-IBGZPJMESA-N	424.932	5.096	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(F)c3F)s2)c(C(F)(F)F)c1	608805383	VJBZLOSRKRLIMT-UHFFFAOYSA-N	423.366	5.155	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1	609299400	QOZZMDHGTOXXQH-UHFFFAOYSA-N	423.513	5.216	30	20	HKED	
CC1CCC(OC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)CC1	609438203	FVORBYMEGQAIGK-XBMUEBEBSA-N	415.603	5.672	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	609503898	FLLNAMQMKSWRCC-QFIPXVFZSA-N	420.896	5.273	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609912051	LFQBONGBXJBOBV-MRXNPFEDSA-N	408.885	5.087	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1Br	610240648	JJNHYVFWBBYGHG-UXLLHSPISA-N	424.125	5.240	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1cccc(Br)c1	610756739	FOCGZGQXSXOTNE-OAHLLOKOSA-N	417.372	5.805	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(F)cc1OCC(F)F	611358061	ZGZMCDXXTQIFIQ-LBPRGKRZSA-N	409.433	5.365	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3cc(O)ccc3C2=O)cs1	726426960	AOBKFRHQDANRGQ-XNTDXEJSSA-N	424.909	5.399	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730696189	REHLHRQXRPBKQX-YGRLFVJLSA-N	407.297	5.797	30	20	HKED	
COc1cc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)cc(Br)c1O	732570599	DVXHTTHHZAIUPP-FPLPWBNLSA-N	416.296	5.183	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)Cc1cc(Cl)ccc1OCC#N	735306109	INFSAIJLBCWMNV-UHFFFAOYSA-N	412.942	5.515	30	20	HKED	
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2cc(Cl)ccc2OCC#N)cc1	735318948	SFHSVHXQUDLJQA-HZPDHXFCSA-N	416.974	5.304	30	20	HKED	
COc1ccc(/C=C2\Cc3ccc(OC(F)(F)F)cc3C2=O)cc1OCCCC#N	737451405	ZCQMNQJXYJIUCU-MHWRWJLKSA-N	417.383	5.099	30	20	HKED	
COc1ccccc1CC(C)(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739595357	XABGVMNAOHDWTH-UHFFFAOYSA-N	404.535	5.180	30	20	HKED	
C[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)CC1CCC1	740888261	DPHRYABUTVWEJZ-GCJKJVERSA-N	410.521	5.087	30	20	HKED	
Cc1cc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2Cl)ccc1F	741649720	GXLOKAAWALTHGV-DEOSSOPVSA-N	422.887	5.138	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	742537239	JGBHLZKLTDATBQ-HXUWFJFHSA-N	422.326	5.739	30	20	HKED	
COC(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1F	743475546	VMBJMXMXBCPQKL-JOCHJYFZSA-N	424.859	5.256	30	20	HKED	
Cc1ccc(Oc2ccc(N[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)nc1	743477889	VBSHKFCNEAHTCH-GOSISDBHSA-N	418.472	5.069	30	20	HKED	
C[C@@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1ccccc1Sc1ccccc1	744859436	UEACXTDWTBKKGW-QGZVFWFLSA-N	408.523	5.182	30	20	HKED	
COc1cccc(NC(=O)/C(=C/c2coc(-c3ccccc3)n2)C(=O)c2ccccc2)c1	749885882	GPVUEEOPHZFTRC-XQNSMLJCSA-N	424.456	5.255	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	751329439	SDWZADVNHVPROV-SANMLTNESA-N	411.549	5.826	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccc(OC(F)F)cc1OC(F)F	753133359	BSZQICOSZCQPLH-FNORWQNLSA-N	424.375	5.304	30	20	HKED	
CC[C@H](C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	756233696	OKAVEVMCFNKGCK-SCLBCKFNSA-N	402.466	5.476	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cncc(-c2ccccc2)c1	757873510	CJXUPIQDMHHZGM-LJQANCHMSA-N	410.260	5.017	30	20	HKED	
C=CC[C@@H](NC(=O)N1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1)c1ccncc1	759583630	RXTNFLVDOVDSCE-JWQCQUIFSA-N	413.521	5.217	30	20	HKED	
N#CC1(COC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CCOCC1	760274896	KFUDXCCRABGDLE-UHFFFAOYSA-N	405.878	5.107	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc3ccccc3nc2Br)cc1Cl	761525663	QBOPLEUVBDMLEI-UHFFFAOYSA-N	417.719	5.331	30	20	HKED	
Fc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(Cl)c1Cl	761778701	WHQKWHCQMHMJRM-UHFFFAOYSA-N	415.708	5.552	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	766557889	DPMJDLPBCBLVSJ-UHFFFAOYSA-N	412.486	5.168	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3c(F)ccc(Br)c32)c1	772986091	ZRZHUJCZLPGOCD-LIRRHRJNSA-N	403.295	5.046	30	20	HKED	
CCCc1c(NC(=O)c2cc3ccccc3c(Cl)n2)cnn1-c1cccc(C#N)c1	784710917	CEFUURYCXABOHZ-UHFFFAOYSA-N	415.884	5.150	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cc(-c4ccccc4)ccc3O)ccc21	786826745	DXEWRJBMUIJGTG-UHFFFAOYSA-N	411.505	5.254	30	20	HKED	
O=C(/C=C\c1cc(Br)ccc1OCc1ccccc1)c1ccnc(O)c1	791434193	VYCYOITVDYTJJB-VURMDHGXSA-N	410.267	5.025	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	792380826	NKDUBWZBXBHZGV-UHFFFAOYSA-N	418.459	5.070	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\C(=O)c3cccc(Br)c3[C@H]2C)cn1	792882820	AZWGTTZKEBNGOE-NWRYFCBHSA-N	421.294	5.298	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1	792896789	DNBUYCYILGPZDG-OAQYLSRUSA-N	413.525	5.088	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1ccc(OC(F)(F)F)c(Br)c1	793062124	FCFCFMRBEACTHO-UHFFFAOYSA-N	419.172	5.001	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1ccc(Br)cc1	795140109	RIQVUGQEZWPBLF-UHFFFAOYSA-N	407.381	5.002	30	20	HKED	
CCc1cc2oc(=O)cc(COC(=O)C[C@H](CC#N)c3ccccc3)c2cc1Cl	795981772	DXRAENSFODPJLO-KRWDZBQOSA-N	409.869	5.140	30	20	HKED	
CC(C)O[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	796805743	APVWKUYCIBGSIA-VFNWGFHPSA-N	412.461	5.431	30	20	HKED	
CC(F)(F)CCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	797228701	WVQCTLAYUHPYPX-OSNAKNMZSA-N	422.356	5.697	30	20	HKED	
Cc1c(C)n(C2CCCCC2)c(=S)n1CN1CCC(C#N)(c2ccccn2)CC1	799942998	KGLJFBIVDSHKSN-UHFFFAOYSA-N	409.603	5.051	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	800385377	AWCIVMPIIJXCIN-ZWNOBZJWSA-N	415.292	6.119	30	20	HKED	
CCCC(C)(C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1cccs1	801997308	NQHKFKHGJIUAJD-LJQANCHMSA-N	418.566	5.366	30	20	HKED	
C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)c1nnc(-c2ccc(Cl)cc2Cl)o1	803834640	MKHISRIAFCPTDR-SECBINFHSA-N	422.655	5.486	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	806200264	BTMIFIBOSKCNCJ-BJKOFHAPSA-N	413.521	5.966	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(Oc2cccnc2)cc1	808843571	QJXZNQLPUZUXFU-SJORKVTESA-N	402.454	5.047	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Cl)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1	810537572	XOCLFDLFUXISRW-NSHDSACASA-N	412.795	5.527	30	20	HKED	
COc1cc(C2(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)CCCC2)ccc1C	813213288	KKTQCFOOIIESGZ-QGZVFWFLSA-N	402.416	5.106	30	20	HKED	
Cc1nc(NC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)sc1SCC#N	813432021	CYIDIWYOYIPRRS-UHFFFAOYSA-N	424.551	5.067	30	20	HKED	
CC(=NOCC(=O)Nc1ccccc1C(C)(C)C)c1nc2ccccc2n1C(F)F	836978144	RYKFREKKUGNLJD-UHFFFAOYSA-N	414.456	5.108	30	20	HKED	
Brc1ccccc1-c1ccc(C=Nn2cnnc2-c2ccccc2)s1	912806213	DBTXUZUUFVELBU-UHFFFAOYSA-N	409.312	5.318	30	20	HKED	
COc1cc(Br)c(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc1O	916137210	MLJYYAPHTADGJA-WAYWQWQTSA-N	401.178	5.078	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(SC(F)F)cc1	916903689	QJAZYAHRUDVRNC-KRWDZBQOSA-N	402.466	5.087	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	916974941	SCXPEOQBMFCXNR-YLJYHZDGSA-N	404.535	5.887	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCCCCC2	917783105	MDEBMMXHZAKECE-NRFANRHFSA-N	419.550	5.181	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccc(F)c(F)c3)n2)cc1	920140948	DILHTRROTZVNML-HNNXBMFYSA-N	416.474	5.065	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1nc(-c2c(F)cccc2F)cs1	920806625	MRMBEMFITAYNKS-SDDRHHMPSA-N	414.399	5.633	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(F)cc1F	921158420	GOQLHFBMKWMGLZ-UHFFFAOYSA-N	423.444	5.198	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C)ccc4[nH]3)CCC2)cc1	1791582964	YFZYWZKVNKHINN-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828352588	OIKRUAZBHSPUNI-RBZQAINGSA-N	412.618	5.121	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc3c(c2)CCCC3)c1	10170626	BZBHAQNLCQKVOG-UHFFFAOYSA-O	415.582	5.521	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3c(C)noc3n2)c(C)s1	14527615	DFJPOTDSAAYDGW-UHFFFAOYSA-N	402.479	5.195	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1cccc(C)c1	22212499	VBXWRVMXWWNWAQ-UHFFFAOYSA-N	403.507	5.147	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(OC)cc1	23554266	DMXIFDMAQXWPKF-AWEZNQCLSA-N	413.930	5.157	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2s1	41500595	BPSYXAWRUMKTBS-NSHDSACASA-N	411.845	5.542	30	20	HKED	
Cc1cccc(OC[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	65115827	ARCQAUSGOWGXOO-IBGZPJMESA-N	416.546	5.356	30	20	HKED	
CC(C)(C)c1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	142089419	UJHYOOKCJPAPPD-UHFFFAOYSA-N	405.523	5.338	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1ccc(C(F)(F)F)cn1	147914060	CWHVZYJLYKHUCD-SECBINFHSA-N	413.833	5.429	30	20	HKED	
CCN(CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1	195732843	CZRVRBKVLJMAOG-KRWDZBQOSA-N	403.448	5.035	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1	208023854	QAJWZBPDCLMHSX-QPEQYQDCSA-N	416.433	5.060	30	20	HKED	
C[C@H](Nc1ccc(CC#N)cc1)c1nc2cc(Cl)ccc2n1Cc1ccccc1	248277994	ZMOPQQNWUOQLKO-KRWDZBQOSA-N	400.913	5.977	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1	303106470	JSPMCVXOVJPXSG-UHFFFAOYSA-N	409.574	5.072	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCc2ccc(Cl)cc2)cc1	303127787	RFTFZELEGBYPPZ-UHFFFAOYSA-N	420.965	5.867	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1	303249722	FGDQYZCWZDVXTD-UHFFFAOYSA-N	416.481	5.113	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F	303283530	FXVMGAIWWDNLJS-UHFFFAOYSA-N	419.456	5.519	30	20	HKED	
C=CCN1CCC(NC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)CC1	303906312	LXZLDNLVESUBHR-UHFFFAOYSA-N	407.316	5.180	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](c2ccccc2)O1	409811355	WJJGZSMRDZCRGN-HOYKHHGWSA-N	413.477	5.344	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F	410343014	ANKPYNBHTDRRBT-UHFFFAOYSA-N	419.834	5.915	30	20	HKED	
N#Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c(Cl)c1	430357797	KSQVIQDMWMZVKY-UHFFFAOYSA-N	412.880	5.376	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1	432655607	HDPRVUBZCUWFKY-HSZRJFAPSA-N	412.493	5.496	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1	432678888	NLXZORFPUGZZOW-MRXNPFEDSA-N	415.518	5.330	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1)c1ccccc1	435100919	LKRMIGFGJVXOLJ-GOSISDBHSA-N	404.457	5.146	30	20	HKED	
N#CCCn1cc(CN(Cc2ccccc2Cl)C2CCCC2)c(-c2ccncc2)n1	435135567	RRDUVOUQJYOLQI-UHFFFAOYSA-N	419.960	5.457	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2)s1	436151860	HYEDESZFLOIBGJ-NHCUHLMSSA-N	402.523	5.038	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1	438049486	BBECXIRZFUOLTI-KSSFIOAISA-N	403.935	5.243	30	20	HKED	
CCN(CC)CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	438644409	ANJODSZTUVQQEW-UHFFFAOYSA-N	424.520	5.075	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1	439662139	PTKDBZCEMZJEFN-INIZCTEOSA-N	419.456	5.327	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cl)cc(F)c2F)cc1C	441576201	YNHBBMNMJFWPLO-UHFFFAOYSA-N	414.843	5.265	30	20	HKED	
C[C@H](Nc1cccc(CCC(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2	441768279	SGJVRPTYFBAZTK-LBPRGKRZSA-N	407.461	5.042	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c2ccccc21	444079721	GWNCVIUFUZDBRJ-UHFFFAOYSA-N	417.900	5.096	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CCCC1(C)C	445241347	QSUMNSPYOXKMNL-QFIPXVFZSA-N	405.542	5.846	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2SC[C@H](C)C#N)cc1	446625266	QYFKLFNRLLKSSN-XMSQKQJNSA-N	423.582	5.113	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2Br)nnc1-c1cccnc1	460876826	XSKTYISYPDHYPU-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ncc(-c4ccccc4)cn3)cc2)cc1	461985331	VLQSLSPLYILKOY-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	463777643	VCEFUAPYVKAOCM-KRWDZBQOSA-N	419.699	5.136	30	20	HKED	
O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	464570159	OLAYLLHGOYJHFL-HNNXBMFYSA-N	422.275	5.498	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1C(F)(F)F	465760185	WMORGDILEOGWHW-QKYXUNIQSA-N	401.432	5.248	30	20	HKED	
C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](c2ccco2)C1	465882279	WJTCQECAXQUKJM-RLHVNXBHSA-N	407.514	5.024	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(CSC)c3)n2)cc1	473939195	HSGUVCALLYFIDW-QGZVFWFLSA-N	412.511	5.311	30	20	HKED	
N#CC[C@@H](CC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1	474424905	GNUZDSYOLTWEMJ-LADGPHEKSA-N	407.517	5.504	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	476793819	HVIAQGSVFXVFQJ-LJQANCHMSA-N	423.532	5.560	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2nccc3ccccc23)c1	483197990	LTJRUZZFJWRJSL-HSZRJFAPSA-N	403.441	5.176	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nccc2ccccc12	483212493	RLYAGNSFEJVSNY-HXUWFJFHSA-N	400.384	5.795	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc(Cl)c1OCCC(C)C	483227464	IFTHEIFQNOUGJZ-MRXNPFEDSA-N	423.900	5.207	30	20	HKED	
N#CCCN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)C12CC3CC(CC(C3)C1)C2	486587807	PZTUIQQJJUHGKL-UHFFFAOYSA-N	423.557	5.203	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@H](CCCC#N)c3ccccc3)cc(C3CC3)nc21	487619600	RRTQQUHKYSNUFD-OAQYLSRUSA-N	401.514	5.055	30	20	HKED	
Cc1occc1-c1nnc(SCc2cccc(F)c2C#N)n1Cc1ccccc1	488236712	TXHWOKKAERALOF-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1	488312440	UXPJFJUDXHQDPQ-QWRGUYRKSA-N	414.478	5.296	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	489901609	WZPVYPQKXWAINH-UHFFFAOYSA-N	414.493	5.633	30	20	HKED	
CSc1cccc([C@@H](NC(=O)NCc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1	497504901	DLLYCEYCIFPJEI-JOCHJYFZSA-N	423.488	5.147	30	20	HKED	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(F)cc(C(F)(F)F)c1	505582451	SDFRAHIPFNXABU-UHFFFAOYSA-N	422.344	5.324	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)c3ccccc3C#N)cc12	508090671	YFZSFEZFLNUEDU-UHFFFAOYSA-N	406.898	5.197	30	20	HKED	
C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](CC(F)(F)F)C1	508955619	ILPOGGYULIUUFI-KRWDZBQOSA-N	422.495	5.254	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)o2)c(C)c1	509582015	DSDCBYAHXUAEAT-UHFFFAOYSA-N	404.466	5.387	30	20	HKED	
CC[C@@]1(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)OCCc2ccccc21	514818539	MWWKPLAGWXRZMQ-HXOBKFHXSA-N	409.555	5.081	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)c1cccc(Cl)c1	518164549	FTJKHAMHGBSACN-OAHLLOKOSA-N	401.963	5.691	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3Br)cc2)cc1	519978245	NHGBIHIXUQIBSV-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc2ccccc2[nH]1	520195727	JCMXBJOGYPRITP-FOIQADDNSA-N	407.543	5.476	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2c3ccccc3C[C@@H]2C)cc1OC	521377244	BIBGZBYROAGOQK-XOBRGWDASA-N	402.332	5.046	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)n1	523276369	MXPYTFZCOLVPRU-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
C=CCc1cc(CNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc(OC)c1OC	523309327	QBJDFOFISJTWOJ-INIZCTEOSA-N	408.498	5.081	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1	534167716	VKWVCXGBOPWDGN-KSFYIVLOSA-N	402.881	5.056	30	20	HKED	
Cc1nc(CCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)sc1C	535601673	HQCCSUAVSWXKPH-UHFFFAOYSA-N	411.914	5.050	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	539317739	YJINJBDXCFWUGA-IBGZPJMESA-N	419.460	5.199	30	20	HKED	
CS[C@H](C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	541226970	FVLLDOMUVIXREV-LHLIQPBNSA-N	413.305	5.195	30	20	HKED	
CC(C)OCCCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	542107242	VGOFCNGKMICCGB-UHFFFAOYSA-N	415.921	5.117	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	543607480	VBKUTDNALLQXJQ-MRXNPFEDSA-N	420.538	5.136	30	20	HKED	
C=CCn1c(SCc2nc([C@@H]3C[C@@H]3C)no2)nnc1-c1ccc(Cl)cc1Cl	546478100	IJCOCUJALUHFGN-GXFFZTMASA-N	422.341	5.237	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC2(C(F)F)CCCCC2)cc1	554173097	YNZDCOWJYDIIJL-UHFFFAOYSA-N	413.468	5.421	30	20	HKED	
C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	556596879	SXIQDPYWYOXVHF-VIFPVBQESA-N	414.214	5.038	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1	557062779	WLKSQNMMCHRRLX-UHFFFAOYSA-N	408.914	5.091	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](Cc1c(C)cc(C)cc1C)C(F)(F)F	561216135	WHCOVLFXFNGOSR-NRFANRHFSA-N	423.475	5.023	30	20	HKED	
C=CCn1c(C2CCC2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1	569742648	KBFWQBSZPLNKBC-IBGZPJMESA-N	404.562	5.046	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C4CCOCC4)CC3)cc2)cc1	576184818	RWDBUUFPZYTPPK-UHFFFAOYSA-N	405.498	5.021	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1cccc(F)c1	578681514	OSPBQDDODOZYFU-IBGZPJMESA-N	424.545	5.246	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3cccc(-c4cscn4)c3)no2)c1C#N	578697551	IJPJIWYZEIQCBK-UHFFFAOYSA-N	417.519	5.393	30	20	HKED	
CCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)o1	582086903	NBMZWIIMAPEWGC-INIZCTEOSA-N	407.392	5.024	30	20	HKED	
Cc1c(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cccc1C(=O)Nc1ccccc1	583586623	BHGCQWVTDFEKAR-UHFFFAOYSA-N	415.468	5.174	30	20	HKED	
Cc1noc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	583650361	ZOEUCJRZBSDRJD-QUCCMNQESA-N	421.888	5.056	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)C(C)C)cc1	589051980	RIFVSGJOUFWUIA-JOCHJYFZSA-N	408.567	5.256	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C	592607240	IFYGZSVQQIZHSW-UHFFFAOYSA-N	419.544	5.143	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	601618227	UXFPAYSBTBNYOG-INIZCTEOSA-N	405.866	5.609	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1	603601279	UYFNBKAUFGSCGM-UHFFFAOYSA-N	415.493	5.369	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cn2)c1	603623007	CDCUGTAYTFXTOE-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)cn2)cc1	603689165	AZEUUZZZRBRNCN-DEOSSOPVSA-N	421.460	5.052	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc(-c2ccc(Cl)cc2)cs1	603836537	AZHGOXTZHHMNFN-OAHLLOKOSA-N	422.853	5.343	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccc(C(F)(F)F)cc1	603969045	XIOVELAAICRPIL-UHFFFAOYSA-N	402.397	5.323	30	20	HKED	
Cc1ccc(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1	604004120	WSIDYWMENLYXLP-UHFFFAOYSA-N	416.546	5.679	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCn1cnc2ccccc21	604358647	WRGZLHQJOMBTCD-UHFFFAOYSA-N	410.477	5.428	30	20	HKED	
CC(C)N(C/C=C\CN(Cc1ccc(C#N)cc1)C(C)C)Cc1ccc(C#N)cc1	604492712	ZXASFTMJIOLYLU-WAYWQWQTSA-N	400.570	5.107	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1	605622367	KSRQHJLYJBCPIH-UHFFFAOYSA-N	419.506	5.002	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12	606181736	DOUMEUAJAPUHOY-UHFFFAOYSA-N	416.443	5.197	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(CC)c1nc2ccccc2s1	606760303	PWDOXNCGYKQNRD-UHFFFAOYSA-N	406.429	5.547	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2ccc(F)cc2)CC1	609060782	DWUGVHVHVNSIAR-UHFFFAOYSA-N	400.453	5.255	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1Cl	609371162	IPLQCVJEOYPRLL-SFHVURJKSA-N	419.893	5.964	30	20	HKED	
Cc1sc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc1-c1ccccc1	609496111	BDLRYPIIHOKVIU-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1ccc(C[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	609995594	DCEHFIVESHPIEP-INIZCTEOSA-N	406.576	5.582	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C	611556677	LSYCBTGRFSBQSV-DOTOQJQBSA-N	417.431	5.854	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C	611738113	SWOCLDQVOGUUSF-FQEVSTJZSA-N	420.962	5.268	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCC	613392761	ZVCRFERLAKEWMP-IBGZPJMESA-N	420.534	5.878	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC4CCCC4)cc3)n2)cc1	619756521	RYBSCBSOXYADTI-NRFANRHFSA-N	413.502	5.493	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	674784851	WHKMZPIGXABWIC-WOPDTQHZSA-N	417.390	5.143	30	20	HKED	
Fc1cccc(Br)c1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	684367575	RUEBGLAOJSPHAS-IUCAKERBSA-N	422.182	5.587	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc2cc(Cl)ccc2s1	727628373	KHJZQHOWZXNFOP-CQSZACIVSA-N	420.843	5.877	30	20	HKED	
Cc1ccc(NC(=O)[C@H](NCc2ccc(OCC#N)cc2)c2ccccc2)cc1Cl	727839211	ZXHMSJYTJRGMCB-HSZRJFAPSA-N	419.912	5.020	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	727978626	KFLBMXVCRASKRS-UHFFFAOYSA-N	403.507	5.263	30	20	HKED	
C#Cc1cccc(N(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C(C)C)c1	728245603	FSWYNWWIQABLIL-UHFFFAOYSA-N	412.518	5.032	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ncc[nH]2)c1	729240521	RNEUBETZAYRJFA-XMHGGMMESA-N	415.405	5.010	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1	732593017	FTGFDZLMIVKWFH-BHIFYINESA-N	407.473	5.122	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCn2c3ccccc3c3ccccc32)c1	733771540	OCJSBCDNNBBBBB-FQEVSTJZSA-N	411.505	5.182	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)c1	733842162	QIBSBKQUOSKIQP-QFIPXVFZSA-N	415.493	5.268	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C3SCCS3)c2)c1	733842838	BNZUPVPFOXNJGK-GOSISDBHSA-N	413.568	5.168	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)s1	734060169	PSFQJUWDXHTMIQ-RBUKOAKNSA-N	409.942	6.330	30	20	HKED	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	734081047	DKSPOWRZOSNWFR-HNAYVOBHSA-N	405.523	5.146	30	20	HKED	
Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	741534113	FQEFHKBWODJPBK-UHFFFAOYSA-N	414.509	5.459	30	20	HKED	
CS[C@H]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	743117730	XOSAKZVLTFGUDN-PBHICJAKSA-N	401.919	5.410	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@]12CCc1ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	744037568	AHFFGBLJYGLLHW-IUSZMWJPSA-N	412.436	5.395	30	20	HKED	
CC/C(=C/C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C)cc1	745128554	WEPZBBINPVYMOJ-CYVLTUHYSA-N	400.478	5.083	30	20	HKED	
N#CC(CCOC(=O)[C@H]1SCCc2sccc21)(c1ccccc1)c1ccccc1	745635140	CTGLFQQSEVFSCR-QFIPXVFZSA-N	419.571	5.522	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CC[C@H](c3ccccc3)[C@H](CC)C2)c1=S	746384540	ZAFMOPTYXUOEQN-KNQAVFIVSA-N	419.598	5.135	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)c1cccc(F)c1	747106219	NUZGOEYBIVVJNB-XHDPSFHLSA-N	400.862	5.174	30	20	HKED	
Cc1sc2nc(/C(Cl)=C\c3ccc(C#N)s3)nc(O)c2c1-c1ccccc1	748998543	MCUMUOGDCGCWCH-OQLLNIDSSA-N	409.923	6.042	30	20	HKED	
COc1ccc([C@H]2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1	750300540	CTMXGOCYZYXKSG-DHLKQENFSA-N	411.505	5.372	30	20	HKED	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(C#N)s1)c1ccc2ccccc2c1	761330457	NTNPNLSLINOAMK-OAQYLSRUSA-N	407.539	5.129	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Cc3ccc(Cl)cc3C2=O)cs1	762446520	JFFBRSUZZNNKIA-ZROIWOOFSA-N	412.873	5.443	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=CC1CCC(C(F)(F)F)CC1	767368681	XIZGMDJLLHABEP-UHFFFAOYSA-N	419.472	5.636	30	20	HKED	
C=CCN(Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S)C1CC1	771639727	JWTUJDFULSRHSY-UHFFFAOYSA-N	400.545	5.340	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCCC(=O)c2ccc(Br)cc2)n1	774124763	XNQPWYDTPUQOBS-HNNXBMFYSA-N	419.344	5.258	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(=O)c1ccc(Cl)cc1	777319103	XPSJXGCIWQWKSY-XHDPSFHLSA-N	400.862	5.174	30	20	HKED	
COc1cccc(-c2n[nH]cc2CNc2ccc(OCc3cccc(C#N)c3)cc2)c1	779594401	JNIUUQGBSKBHOD-UHFFFAOYSA-N	410.477	5.148	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1cccc(C(F)(F)F)c1	780668622	CEZLEJBEFLQUOR-AUUYWEPGSA-N	405.420	5.515	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1Cc2ccc(F)cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1	796643778	PUQGTIJWOQZXJN-HOTGVXAUSA-N	417.292	5.772	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1	805859086	XTKAJBOTWVJFRA-GFCCVEGCSA-N	421.444	5.410	30	20	HKED	
CC[C@H](C)N[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccco1	806201491	YDRKGFRLDRCLHZ-CDNPAEQRSA-N	416.525	5.186	30	20	HKED	
C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(Cl)cc1	810186663	WYCNHLZNQSRXMN-QGZVFWFLSA-N	413.264	5.072	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2ccc(C#N)cc21	810238769	MWUHOLKEGJNPTJ-DHIUTWEWSA-N	403.526	5.560	30	20	HKED	
CC(C)(C(=O)OCC1CCC(C#N)CC1)c1csc(-c2cc(F)ccc2F)n1	810719152	ZOVHSTZRLFDXBE-UHFFFAOYSA-N	404.482	5.239	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3c(F)cccc3F)cc2)ccc1OCC#N	811699340	ZWNPANXSQQWQHW-WZUFQYTHSA-N	405.400	5.439	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCC[C@H]4[C@@H]4CCOC4)c23)cc1	814761826	XKIOTHOGZYXEKQ-AEFFLSMTSA-N	422.554	5.362	30	20	HKED	
COc1cc(C=NOCc2ccc(C(=O)Nc3ccccc3)cc2)cc(Cl)c1OC	823715157	VDNJAEWJJSRFSG-UHFFFAOYSA-N	424.884	5.160	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2c(Cl)cccc2Cl)no1	904309028	WTOCNEUQKGOSSZ-CYBMUJFWSA-N	411.289	5.303	30	20	HKED	
Cc1c(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)sc2ccc(C#N)cc12	904465447	HDUGSSAPYYOMNM-UHFFFAOYSA-N	424.485	5.772	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-c2ccccc2)cc1F	915857257	QOXLZRKTJIVZIA-UHFFFAOYSA-N	404.441	5.171	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl	915871414	TXRMXNCODPDHKV-KTKRTIGZSA-N	410.260	5.704	30	20	HKED	
FC(F)(F)c1nnc(S)n1N=Cc1c2ccccc2c(Cl)c2ccccc12	916304695	AFNGSKGMYNVTFY-UHFFFAOYSA-N	406.820	5.428	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2Cl)cc1	916846301	PFPMYFDIAZCKOW-INIZCTEOSA-N	420.925	5.301	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(C)cc2)n1	916903904	UHLKBKKCMYTRHD-LJQANCHMSA-N	417.534	5.205	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C	916923180	LPWFMPVFMSNYRQ-LJQANCHMSA-N	412.445	5.254	30	20	HKED	
Cc1cc(OCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1C(C)C	916927550	LNOYQPOEHWTBQA-KRWDZBQOSA-N	419.308	5.152	30	20	HKED	
C[C@@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)csc2C1	916927875	PTDIOIULKSUULD-ZWNOBZJWSA-N	407.322	5.141	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2cc(C)ccc2C)cc1	916954626	JMUXLEPSUYVDHP-JTSKRJEESA-N	404.510	5.127	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916977467	RVKZOJLDWWVRLO-INIZCTEOSA-N	420.843	5.901	30	20	HKED	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1OCC	917645247	VQQAQXYLDRUMIP-MOSHPQCFSA-N	424.547	5.152	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1	919905164	WKHDPOMXZSIKFM-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1	1789680774	YRHNESQFMKAHGK-IBGZPJMESA-N	423.944	5.251	30	20	HKED	
CCCCC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)ON=C(C)C)cc2)CCC1	1790570102	SYLRKGHIIWAWRS-MOPGFXCFSA-N	415.578	5.138	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1	1791730476	LQONODPCDRNQEG-UHFFFAOYSA-N	414.505	5.374	30	20	HKED	
COc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OCC(C)C	7165131	JIEFKXZPVILJOW-NDENLUEZSA-N	410.539	5.238	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(CC)CC)cc1	22796966	WVWBJMYYUFRHPZ-UHFFFAOYSA-O	417.545	5.260	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c3c(C)noc3n2)c(C)s1	33179966	FAOWGNTWKRHNGC-CYBMUJFWSA-N	416.506	5.239	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1	41556883	OZSLNWCIHBNQDL-INIZCTEOSA-N	419.435	5.231	30	20	HKED	
N#Cc1cc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)ccc1Cl	58072319	OGLBGGZMJAGLAE-UHFFFAOYSA-N	423.925	5.487	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2ccccc2s1	60488242	YMLWGLAXEDWBLV-HXUWFJFHSA-N	424.481	6.112	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)Nc1ccccc1SCCC#N)O[C@@H](C)C2	209928616	BQGWIOUFHHYUSB-YDZSZYSISA-N	408.523	5.066	30	20	HKED	
CSc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccn1	303169855	JAIGUSVQNWGYBW-UHFFFAOYSA-N	409.898	5.160	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1cccc(Cl)c1	303360214	HANXNCJVUHFAJG-MRXNPFEDSA-N	401.963	5.195	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1	303364378	ICSSGANMNGQBQG-GPMSIDNRSA-N	409.555	5.851	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Br	303468633	PZCQGDFJIROTRH-KBPBESRZSA-N	419.344	5.107	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CSCc3ccncc3)cc2Cl)cc1	410081263	IBCWLDYPYCQQQU-UHFFFAOYSA-N	409.898	5.271	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[C@H]1CCCC[C@@H]1O	431541561	AQYMGGBFRNUAGT-XXBNENTESA-N	407.514	5.112	30	20	HKED	
C[C@@H]1CCCN(Cc2ccccc2CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1	431810077	NNRXODDMDVMBFY-BWKNWUBXSA-N	418.585	5.153	30	20	HKED	
CC(C)[C@H]1N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC12CCC2	432682725	UPALDXGADBCEEN-HSZRJFAPSA-N	403.526	5.374	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1	436001759	GSHVAFJKEJWXCC-UHFFFAOYSA-N	422.550	5.932	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N(C)Cc1cccc(C#N)c1	436082394	MYJOSROSVUPNSX-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSC(C)C)c1C	438474478	VQPMGXZNRLXUQA-UHFFFAOYSA-N	411.571	5.189	30	20	HKED	
CCCc1c(NC(=O)Nc2cccc([C@H](C)OC)c2)cnn1-c1cccc(C#N)c1	439235295	ILOHADQWMXWIBA-INIZCTEOSA-N	403.486	5.048	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1	440388911	WSRXCWVNIUETQS-AHKZPQOWSA-N	410.492	5.130	30	20	HKED	
Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)c1C#N	442076597	XSWWAKRNNLKLAT-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
C=CCn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1ccccc1	443422938	AXKMJXLZRAUPLI-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	443946819	MHJVPLMXJAALHS-UHFFFAOYSA-N	405.498	5.385	30	20	HKED	
CC(C)(C#N)CCCCNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1	444659485	PXEIMDMQHFKBOY-UHFFFAOYSA-N	406.570	5.581	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccncc1	468655639	NBUVEJOFGHZQDM-INIZCTEOSA-N	418.526	5.046	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	468676889	MUYYQVJUCHNDHX-OLZOCXBDSA-N	400.338	5.192	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1	469155363	SVYWWOBYLVBBIT-UHFFFAOYSA-N	405.310	5.623	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@@H](c1ccccc1)C2	469766628	CZRAANJKTXMSRO-IQGLISFBSA-N	411.505	5.137	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1	471256518	HQQKCRBNPUDGLG-UHFFFAOYSA-N	413.949	5.336	30	20	HKED	
CC(C)c1nnc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cn12	474092286	ASGABOUKACZNNE-UHFFFAOYSA-N	413.506	5.128	30	20	HKED	
Cc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1NC(=O)N(C)C	475690656	CATZJXJNBYUOLH-UHFFFAOYSA-N	414.509	5.151	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(C)cc2)cc1	480404589	NXZFCLNKFYCEJN-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
Cc1cccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	481566108	DZLXKNQSCGZLFP-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
CN(C(=O)c1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1)c1ccccc1	483203594	SIFHIJPSQUDRNQ-HSZRJFAPSA-N	405.457	5.001	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12	483227596	LNWUOUBRZDTZEO-HXUWFJFHSA-N	411.530	5.816	30	20	HKED	
CCc1ccc([C@H]2CN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CCO2)cc1	484156333	GZGXFNVWEMLEHO-DYESRHJHSA-N	409.555	5.106	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1	485475922	GIIDOBWKNWLSAN-MUUNZHRXSA-N	413.608	5.798	30	20	HKED	
CCN(C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C)c1cccnc1	486998668	FYMMDTCTXJCKQF-UHFFFAOYSA-N	420.538	5.087	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)o2)cc1	489788903	RASOQDZLJZUPTE-INIZCTEOSA-N	409.511	5.038	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1	494618322	RJRDQIGAWBSHAH-QGZVFWFLSA-N	402.560	5.121	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC(c1cccc(C)c1)c1cccc(C)c1	498901710	OTAAMGYLKSILPQ-UHFFFAOYSA-N	418.537	5.266	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	503200453	MTPQDKBAAGMHLD-INIZCTEOSA-N	410.543	5.709	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl	503226143	OVSAJBHDAVBTBX-MLGOLLRUSA-N	420.365	6.054	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	504561153	OIAURBIKOGDTRY-CQSZACIVSA-N	408.832	5.935	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1	510505832	JSWMBXQDXFZWDS-QHCPKHFHSA-N	403.526	5.082	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	512520201	LVIKXCCVSQXXQM-UHFFFAOYSA-N	407.285	5.255	30	20	HKED	
CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccs1	512888183	GHMBUXBYNBSEMA-UHFFFAOYSA-N	421.541	5.448	30	20	HKED	
C=CCN(C(=O)c1c(C)noc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	514616285	RUIAFOODGFNQIR-UHFFFAOYSA-N	415.518	5.915	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Br)cc1	515291189	DBUWUTUNZNVEEB-OAHLLOKOSA-N	400.320	5.004	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)nc(C)n1	518175537	DBJGRSMIRQIGDA-ZDUSSCGKSA-N	402.306	5.619	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3OC(F)F)cc2)cc1	519988500	WESPEPVASHAQQC-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(CCC#N)c1ccc(F)cc1	520383825	BGYWHXSIBDTQCU-UHFFFAOYSA-N	417.362	5.368	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	521326636	AQGYEIGLFABAOO-KGLIPLIRSA-N	401.513	5.108	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	521356693	JBIAJNFKRVZMOK-UHFFFAOYSA-N	422.488	5.334	30	20	HKED	
Cn1c(S[C@H](C#N)C2CCCCC2)nc2scc(-c3cccs3)c2c1=O	522333281	PVDQQDARXJVFKW-OAHLLOKOSA-N	401.582	5.288	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCSC[C@@H]3c3ccccc3)cc2)cc1	522426642	OJHODWGPGXSKGU-HSZRJFAPSA-N	415.518	5.673	30	20	HKED	
COc1ccc(Cl)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	522640742	WPOJQCWWCJAOHL-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1	522672258	DDIDSWRSYCBBFJ-OAHLLOKOSA-N	407.495	5.086	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1	523598760	BQRDHYYSJBDLIN-MRXNPFEDSA-N	407.539	5.244	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1OCC(C)C	524035196	ZSOXVQGZROAQFS-HNNXBMFYSA-N	411.889	5.058	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1sc2cc(Cl)ccc2c1Cl	524235196	RCVHGTBQNMMLMX-UHFFFAOYSA-N	406.294	5.538	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(C(F)(F)F)n1	527000093	YQLCORZTLFLMIJ-UHFFFAOYSA-N	417.412	5.173	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(F)cc(C(F)(F)F)c1	530790433	DVUUEMCAFYBBJU-UHFFFAOYSA-N	415.236	5.300	30	20	HKED	
CCn1cnnc1-c1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1	533211615	OXPZCNDUFUAOPA-UHFFFAOYSA-N	409.493	5.028	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1	533510682	ZTQCZIWJWRPCOS-DVECYGJZSA-N	414.509	5.066	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](CC)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	533825028	QQMHNEATWMVTFL-QZTJIDSGSA-N	409.452	5.768	30	20	HKED	
C[C@@H](N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)Nc1ccccc1C#N	537218674	FKNURXQCLRSGCB-BLVKFPJESA-N	421.850	5.298	30	20	HKED	
N#CCC[C@@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)c1ccccc1	537354646	AUAJFXKMOGQYJG-MRXNPFEDSA-N	411.221	5.243	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(-c2ncc[nH]2)c1	537570375	JNTJIONNBYBIFX-UHFFFAOYSA-N	410.502	5.030	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C	538224140	NCFLBRONOJONOA-ZHRRBRCNSA-N	413.562	5.393	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](Cc3ccccc3Cl)c3ccccc3)o2)c1	539310986	VNYFYIAEIVTPIX-QFIPXVFZSA-N	414.896	5.335	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccc3[nH]c(-c4cccs4)nc23)cc1	541842020	GNCBUAMRTJLLCH-UHFFFAOYSA-N	416.506	5.251	30	20	HKED	
C[C@@H](NCc1nc(CCc2ccccc2)no1)c1ccc(-c2cccc(C#N)c2)cc1	542017410	BPKLKLNZJVCEJI-LJQANCHMSA-N	408.505	5.244	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	542370560	UMPHPWYSWFJSAN-KRWDZBQOSA-N	416.550	5.425	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2cccc3ccccc23)C1	543880779	UJKVLASBXOJQCO-GOSISDBHSA-N	413.546	6.165	30	20	HKED	
Cc1nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)oc1C	543980392	CSUSPVQCMJTAEH-CYBMUJFWSA-N	420.275	5.722	30	20	HKED	
C[S@@](=O)Cc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	545819084	VXEKFLPVTHVRPW-GDLZYMKVSA-N	424.909	5.135	30	20	HKED	
CC1(C(=O)NCc2ccc(C(F)F)cc2)CCN(c2ccc(Cl)cc2C#N)CC1	553131382	NLJHQCNLKWDKGJ-UHFFFAOYSA-N	417.887	5.072	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(Br)cc2cccnc12	563633756	ARDRFNIKNYMGEX-UHFFFAOYSA-N	412.312	5.255	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)c1cccs1	564143258	FIJYEXWXTYDZBN-JOCHJYFZSA-N	403.551	5.525	30	20	HKED	
C[C@H](NC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1)c1ccc(C#N)cc1	568568679	ZWABOBXUGWMARK-ZDUSSCGKSA-N	411.477	5.115	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3nc(-c4cc5ccccc5o4)cs3)CC2)cc1	569914017	AIJOMAVAPNLGPQ-UHFFFAOYSA-N	414.534	5.187	30	20	HKED	
C=C(C)[C@@H](CC(=O)NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1)OCC	570719883	ZQWSOGRAHKDXFS-GOSISDBHSA-N	402.535	5.124	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C	579292193	AINQVLQXAJSYNW-VDZJLULYSA-N	423.586	5.191	30	20	HKED	
Cc1nc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)ccc1C#N	603564916	OZEKCNXQKGLELL-UHFFFAOYSA-N	424.529	5.275	30	20	HKED	
N#C[C@]1(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)CCSC1	603883284	MQSKBRRUOPVNSF-OAQYLSRUSA-N	400.569	5.128	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1	604104143	JNNWZQGJEWWNLB-NRFANRHFSA-N	410.304	5.454	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)c1ccccc1	608254340	NGPKEZUCDURSJI-INIZCTEOSA-N	402.425	5.337	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(F)cc1C(F)(F)F	609435384	LEDFYLNYMWBTQD-LBPRGKRZSA-N	411.424	5.560	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)ccc21	609662609	DHXSDYVQZBBHJV-MRXNPFEDSA-N	420.822	5.284	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3cc4ccccc4n3CC#N)cc2c1	610070542	ILFWHDGCHMWJRP-UHFFFAOYSA-N	423.472	5.655	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c3cccc(C#N)c3)s2)cc1	610356328	OXQJNRYETNLCKC-SJLPKXTDSA-N	418.566	5.762	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@H]2[C@H]3C(F)(F)F)c1	610494705	MMXORLBXEOZSRP-SZMVWBNQSA-N	406.791	5.027	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCc1ccccc1Cl)c1nc2ccccc2o1	614439864	QWPGCTACDAJFOO-QGZVFWFLSA-N	402.837	5.550	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1cnc2ccccc2n1	616724227	VPICXBNHUXBPRD-KRWDZBQOSA-N	418.478	5.063	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1	619516243	MOQWFQWFPYDZKK-MRXNPFEDSA-N	415.415	5.080	30	20	HKED	
C=C(C)CN(CC)C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	636608872	BNNIKYJKIPAPHN-UYRXBGFRSA-N	406.551	5.660	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)s2)c(F)c1	669693857	HWNVFHDCMSZWPV-KRWDZBQOSA-N	417.465	5.305	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684254245	YPBOHQMDINXGMP-HZPDHXFCSA-N	422.413	5.684	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(F)cc1Cl	728062912	QVDXGSVTAYWDFL-OAHLLOKOSA-N	423.875	5.369	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1	730393713	AQBJWROXEIPIEN-HNAYVOBHSA-N	416.930	5.954	30	20	HKED	
CC(C)COc1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)CCC2)cc1	731774589	PRDODDHOOWHJHP-IBGZPJMESA-N	422.525	5.768	30	20	HKED	
COc1ccc(Cl)cc1C(=O)/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	733083781	QNBPZARTUPQVEM-VOTSOKGWSA-N	400.843	5.276	30	20	HKED	
CCOc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1C	733679329	YAZCHUMUFBYUHY-FQEVSTJZSA-N	414.461	5.147	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc(C(C)(C)C)o3)n2)o1	733754249	UTHGVMMTPQUFJA-UHFFFAOYSA-N	422.432	5.513	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1	733798392	UMHYETCKWPHADT-UKILVPOCSA-N	413.521	5.146	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@@H]2c2ccccc2)cc1	734644991	XPHCYKCIVFKNLJ-DNQXCXABSA-N	413.546	5.664	30	20	HKED	
C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ncc(-c2ccccc2)o1	741321100	PQXHHXNRCCYMJY-MRXNPFEDSA-N	414.417	5.303	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)c1ccc2c(c1)COC2	742434332	FVEHHLIITJRPHA-CMDGGOBGSA-N	413.304	5.473	30	20	HKED	
Cc1c(Br)cccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	742537932	RNXYXIXWNIPOLM-HXUWFJFHSA-N	405.295	5.665	30	20	HKED	
COc1cc(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)ccc1SC	747612146	VUHYUPPGFMMPOC-UHFFFAOYSA-N	406.433	5.215	30	20	HKED	
N#CCC[C@@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1	749166475	XCCSKLUXWZYQHH-SNVBAGLBSA-N	403.096	5.470	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1)c1ccccc1	749221849	PWEDUWVBOFLURV-DHIUTWEWSA-N	419.550	5.038	30	20	HKED	
C=CCn1c(SCc2cscn2)nc2scc(-c3cccs3)c2c1=O	749260868	JROVXTCBGZABNU-UHFFFAOYSA-N	403.579	5.121	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C[C@H](C)c3ccccc3C2=O)cs1	751537751	ZOOHUDMHIYSATH-AOHITCTBSA-N	422.937	6.255	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)cc1	751603553	SRKKZMSDCFQYHH-QFIPXVFZSA-N	408.423	6.089	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C#N	752235148	HRYZUPSHAPLHNR-AWEZNQCLSA-N	423.498	5.022	30	20	HKED	
CC1CCN(c2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)CC1	752626401	SUCVCAGYNIFIOJ-RPWUZVMVSA-N	402.542	5.227	30	20	HKED	
CC(=NOCc1coc(-c2c(F)cccc2F)n1)c1nc2ccccc2n1C(F)F	752761907	CIKKNIKSQMBDOL-UHFFFAOYSA-N	418.350	5.305	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1	767373717	NQCSXMKNMFVWIG-UHFFFAOYSA-N	402.885	5.387	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(OCc3ccccc3)cc2)c1	772982522	HIJKVUTXSRMILR-HYBUGGRVSA-N	400.522	5.797	30	20	HKED	
C[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccc(OCC#N)cc1	779078097	RLEMMMJLLSAWTL-JXFKEZNVSA-N	400.906	5.363	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1ccc(Br)c2cccnc12	784045366	RUXOFIAKJQNPIC-UHFFFAOYSA-N	407.214	5.149	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C34CC(C(F)(F)F)(C3)C4)c2)cc1	786779574	GMDFFZBAJMCZBT-UHFFFAOYSA-N	400.400	5.003	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(Br)cc2C(F)(F)F)cc1C#N	790679866	ZDYSSRABCVAHAB-LLVKDONJSA-N	413.237	5.199	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12	790872864	OVPRAGWFCIANMD-AWEZNQCLSA-N	408.299	5.038	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[C@H](C#N)c1nccc2ccccc12	792106217	PTBMULSMFBSTOC-PWRODBHTSA-N	421.541	5.275	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl	797187312	XLEKFDNXQZZMNF-QGZVFWFLSA-N	405.329	5.003	30	20	HKED	
Fc1ccc(NC(=S)NCCCCC(F)(F)F)c(OCCC(F)(F)F)c1	799912537	WVUWVLIQRHGHQZ-UHFFFAOYSA-N	406.367	5.176	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813214923	FMFCLWAQILWVMX-SKDRFNHKSA-N	419.255	5.764	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC	813222069	ZRYVSYUGTFXHBL-PMACEKPBSA-N	400.563	5.513	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353950	RNQFIXWGDXTTHQ-XMMPIXPASA-N	421.500	5.826	30	20	HKED	
COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	916137049	FGWKZFWOQIDEEK-UNOMPAQXSA-N	401.418	5.005	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1	916577462	ZXBYSOJCNPFECZ-SFTDATJTSA-N	409.411	5.767	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1cccc(OC)c1	916891466	UVRBBZQYPSZKLP-DZFTYQQFSA-N	416.477	5.145	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(F)cc(Br)c2)cc1	916950656	VLFHKJLHTWDTFJ-SGTLLEGYSA-N	417.278	5.063	30	20	HKED	
C[C@H](c1ccccc1Cl)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C1CC1	917395200	DZYGOBGSQMGNOS-BEFAXECRSA-N	416.912	5.103	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2ccccc2o1)c1nc(-c2c(F)cccc2F)cs1	920803766	BUCOXPBZBFMWTR-GFCCVEGCSA-N	409.417	5.039	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccccc1Cl)c1nc(-c2c(F)cccc2F)cs1	920803920	GQIQCIOYIHSJJJ-NSHDSACASA-N	420.893	5.710	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Cl)s2)c([N+](=O)[O-])cc1OCC(F)(F)F	921262206	PQNIIYSYIOCCAZ-NSCUHMNNSA-N	421.780	5.156	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)CSc3ccc(C)cc3)CCC2)cc1	1791582802	NHEBJIBWCNDCSC-UHFFFAOYSA-N	420.578	5.025	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCSC3)cc2)CCC1	1792286467	YJLSKSIQUGVOTM-NQIIRXRSSA-N	412.599	5.032	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1828827034	GWCUVCADDLOHQX-FGTQWKHKSA-N	412.618	5.121	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1	7216453	HIFSVTWNSWOFGV-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
N#Cc1cccc(CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c1	7432834	GKYJOGHXLZWQQL-HYARGMPZSA-N	413.477	5.374	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccs2)ccc1OCC(=O)Nc1ccccc1	7740162	BLPGSBQXTOPTEZ-ZRDIBKRKSA-N	407.491	5.060	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1	29202562	RPEDPNYPKFJAPT-JOCHJYFZSA-N	417.534	5.466	30	20	HKED	
C=CCn1c(SCc2cc(C)no2)nc2scc(-c3ccc(C)cc3)c2c1=O	29807425	YIVZHALEDAZNEN-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(N2CCCC2=O)ccc1Cl	41930418	IJTYZZMYWAZJDW-UHFFFAOYSA-N	415.880	5.258	30	20	HKED	
COc1cc(C)c([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1OC	47109847	JERGBMFLALDMEY-KRWDZBQOSA-N	400.478	5.042	30	20	HKED	
COc1ccc(-c2nc(CSCCOc3cccc(C#N)c3)cs2)cc1OC	60515453	OWVNJUXCAOUVQN-UHFFFAOYSA-N	412.536	5.011	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)n1	61198729	YHGLBUWMGWUYBJ-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(C)o2)nc2scc(-c3ccc(C)cc3)c2c1=O	108968749	NIWUQPBMSAIWPX-ZDUSSCGKSA-N	424.551	5.164	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(-n2cccn2)cc1	237597792	XLDURTSSBHEZSN-FQEVSTJZSA-N	408.505	5.174	30	20	HKED	
Cc1sc2nc(CN3CCCC3)nc(N[C@@H](CCC#N)c3ccccc3)c2c1C	301813857	ZIXKLHKIWZQVSN-IBGZPJMESA-N	405.571	5.361	30	20	HKED	
CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1	303033002	ULGOAYAXFUBFPD-ZDUSSCGKSA-N	409.839	5.252	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc2c(c1)OCCO2	303298690	CKFCYQXVTXVCOL-UHFFFAOYSA-N	414.461	5.038	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1	303527365	RBFLSDIAIBIFND-PMACEKPBSA-N	402.416	5.154	30	20	HKED	
O=C([C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303663659	HZBRPOPNYJEGRH-NEPJUHHUSA-N	419.287	5.152	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cccc(C(F)F)c2Cl)c1-c1ccccc1	429075481	FALAHPBWUYTRAF-UHFFFAOYSA-N	400.816	5.307	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1Cl	437273906	LSSNVQQOCOVMIZ-MRXNPFEDSA-N	400.787	5.665	30	20	HKED	
COc1c(Cl)cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1Cl	438178219	MFPIBNITMTVGDI-CRAIPNDOSA-N	404.297	5.306	30	20	HKED	
C=CCC[C@@H](NC(=O)c1sc([C@H](C)OC)nc1C)c1ccc(C(F)(F)F)cc1	441554873	WSKXBPVOJFAUTG-XJKSGUPXSA-N	412.477	5.615	30	20	HKED	
CCS(=O)(=O)c1ccccc1Oc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1	442782687	LWANVMYXNUKEDO-KRWDZBQOSA-N	406.507	5.317	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C	462241004	YCRROHCLMBJELA-QGZVFWFLSA-N	413.562	5.317	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1cncc2ccccc12	462429868	SOHOEGAFDKERDV-UHFFFAOYSA-N	423.491	5.720	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1	464935562	HFYFRNRFTHRYBN-FCHUYYIVSA-N	415.562	5.268	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1cccs1)Cc1cccs1	466605332	ZYXQEVSAFXWVKL-UHFFFAOYSA-N	412.540	5.121	30	20	HKED	
Cn1c(C(C)(C)NCc2cccc(OCc3ccccc3C#N)c2)nc2ccccc21	472037390	JINBARAPXXNNAS-UHFFFAOYSA-N	410.521	5.049	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N(CCC#N)Cc1ccccn1	473782079	AQVUYNSZPVNUDB-FQEVSTJZSA-N	414.509	5.478	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccccc1F	476633057	BVOLCBCZGPSSQQ-LLVKDONJSA-N	421.419	5.051	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1csc(-c2cc(Br)cs2)n1	477775732	GKSYWTVFGWZYBG-UHFFFAOYSA-N	412.378	5.036	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Sc3ccccc3C#N)cc2)n1	484565596	LOLWFHGPOLAQHA-GOSISDBHSA-N	403.532	5.779	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	487866508	GOWLEQBUORXFPB-QGZVFWFLSA-N	417.431	5.530	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1cccs1	489409682	XOVWGVZKVOQJSN-UHFFFAOYSA-N	420.563	5.459	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3csc(-c4ccc(C)o4)n3)o2)cc1	489806492	DRUWKNPMVXPXFR-UHFFFAOYSA-N	411.508	5.619	30	20	HKED	
CC(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	496094991	WCTYIYJOZKBPNY-ZDUSSCGKSA-N	421.330	5.871	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1	498043677	HTCNONFHERSITD-GOSISDBHSA-N	411.505	5.283	30	20	HKED	
CCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl	498598043	IYFOZPHSCBRWFS-UHFFFAOYSA-N	422.916	5.385	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	499807951	CFEGAVVDEZRGBF-KRWDZBQOSA-N	402.306	5.420	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C	500106723	DXEHALZWNQFJPP-FQEVSTJZSA-N	424.463	5.276	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cccc(OC(F)F)c1	502501208	LGPNZHHYGNXTJN-UHFFFAOYSA-N	423.419	5.691	30	20	HKED	
CCN(C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccc(C#N)c(Cl)c1	503654007	GNSHDYUJNIPAJR-UHFFFAOYSA-N	403.841	5.280	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1cc(C#N)ccc1Cl	506791566	WQGNWUHAEGDWJT-UHFFFAOYSA-N	410.832	5.712	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)c1ccccc1C#N	508110938	QMIWTEHJHFIFRA-AWEZNQCLSA-N	411.914	5.151	30	20	HKED	
CC1(C#N)CCN(C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)CC1	508256422	CGVAZFZDLQBMGH-UHFFFAOYSA-N	402.325	5.496	30	20	HKED	
C=C(C)COc1cc(CNc2ccc(NC(=O)CC(F)(F)F)cc2)ccc1OC	509939108	BBLHGABSVHZJHP-UHFFFAOYSA-N	408.420	5.153	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3cccc(F)c3Sc3ccccc3)CCO2)c1	512002908	UPWUBEBYYOOUMN-QFIPXVFZSA-N	418.493	5.062	30	20	HKED	
CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	513942993	WBKFAKNZYAJHAJ-UHFFFAOYSA-N	408.502	5.187	30	20	HKED	
Cc1cc(C)c(C#N)c(SC[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)n1	514484045	UPRRPXYHLXUZEI-ZJSXRUAMSA-N	418.562	5.138	30	20	HKED	
Cc1sc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-]	514575057	ABOMZLWISUIYGK-INIZCTEOSA-N	411.870	5.526	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1	517353277	LYQJFIJIAQCFBK-UHFFFAOYSA-N	411.436	5.169	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1ccc(Cl)cc1	520939425	VWIJURNBRMWUCS-HNNXBMFYSA-N	403.935	5.277	30	20	HKED	
CC(C)CCOc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	521092966	MEIGVPBFEHPUPD-UHFFFAOYSA-N	401.466	5.423	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1	522028411	PDVKCEBSMVNJPA-UHFFFAOYSA-N	416.443	5.406	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CC#N)C2CCCC2)cc1	523141147	AOVQEENFKXWGRP-UHFFFAOYSA-N	401.510	5.071	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)cc1	523423016	GMYLGFMNZPAHOW-JOCHJYFZSA-N	421.541	5.551	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)CSc3ccc(C#N)cc3)c2C)c1	533767874	VCEFRNFRJJDFHZ-UHFFFAOYSA-N	418.518	5.185	30	20	HKED	
CCN(C(=O)CCc1cc(Br)ccc1F)[C@H](C)c1ccc(C#N)cc1	534645244	VFOGFJCVECFCQK-CQSZACIVSA-N	403.295	5.002	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	536737612	OITDXJFRMPIEKL-AVYPCKFXSA-N	401.507	5.118	30	20	HKED	
C[C@@H](NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(C#N)c(F)c1	537406639	FYOVQDNMDNVRQS-CQSZACIVSA-N	415.390	5.754	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(Br)cc2C(F)(F)F)s1	538446581	WLYQSZUARQCXPR-UHFFFAOYSA-N	403.223	5.216	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncccc1C(F)(F)F	538843833	HRIPOBUNGXWWGS-UHFFFAOYSA-N	402.216	5.390	30	20	HKED	
C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CC(=O)Nc1ccccc1SCC#N	538960566	ZQRHWOKGBLEXBA-ZDUSSCGKSA-N	420.365	5.167	30	20	HKED	
Cc1nc(NC(=O)c2oc3c(Br)cccc3c2C)sc1SCC#N	541075696	CNAZCBVRPLSIIA-UHFFFAOYSA-N	422.329	5.137	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4ccc(F)cc4C)n3)n2)cc1	541200235	GMZTXQBQWGROIO-GOSISDBHSA-N	416.481	5.242	30	20	HKED	
COC1CCC(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	541704735	NSCPMVKRVIUTEU-UHFFFAOYSA-N	421.541	5.048	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1c(F)cncc1F	553762070	ZNQWOXUQIYTVQY-LBPRGKRZSA-N	413.811	5.168	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Oc2ccccn2)c1	558382414	RMPSORODLAIMLN-UHFFFAOYSA-N	405.502	5.262	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(C(F)F)ccc3Cl)cc2)cc1	561842194	AUGGQDGVSLMQMH-UHFFFAOYSA-N	412.823	6.388	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cnc1C(F)(F)F	563825686	WHLMPMIRMGLUTB-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
COc1ccc2cccc(CC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2c1	569750255	STUYRYFKLSYCCR-UHFFFAOYSA-N	409.445	5.089	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)c2nc(C3(c4cccc(C(F)(F)F)c4)CCC3)no2)cc1	570484700	MHQIAXGGVNQLFD-KRWDZBQOSA-N	422.410	5.280	30	20	HKED	
C=CCN(C(=O)c1ocnc1C1CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	576974770	CXQPBDBADKVUTG-UHFFFAOYSA-N	420.321	5.815	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	585765206	LKCKHNHLGRVOJL-PKTZIBPZSA-N	414.471	5.712	30	20	HKED	
C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589364535	FFLBNYJWCNLCQT-AZUAARDMSA-N	412.493	5.231	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2cc(F)ccc2s1	592975974	ZYVRPLLNIUORBN-SFHVURJKSA-N	418.424	5.296	30	20	HKED	
Cc1cc(O[C@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1Cl	603959750	ZBRLDKNFFAAQJD-MRXNPFEDSA-N	421.884	5.422	30	20	HKED	
Cc1nc(NC(=O)c2csc(-c3ccccc3Cl)n2)sc1SCC#N	608939247	ZHTZIUMAQOYXIP-UHFFFAOYSA-N	406.945	5.096	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C2CC2)o1	609057525	JMELAKIWMBBKCP-OPAMFIHVSA-N	416.477	5.251	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Cc3coc4ccc5ccccc5c34)CC2)c1	609185172	COOBHTVGJIHHED-UHFFFAOYSA-N	410.473	5.070	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)Nc2sc3c(c2C#N)CCC3)c1	609261266	HMUVUDZBDQZVBG-UHFFFAOYSA-N	402.519	5.177	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(F)c(Br)c1	609427670	YUMYZJYLQFNTOU-LBPRGKRZSA-N	407.308	5.164	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	609647850	TVKPELSATCLBEJ-UHFFFAOYSA-N	408.404	5.299	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609928350	RRLVTOXGFGIKBM-INIZCTEOSA-N	420.900	5.494	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCCC2)n1	610320316	XTKIXEIJEZWZJA-UHFFFAOYSA-N	419.510	5.102	30	20	HKED	
C[C@H](Nc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)c1cccc(C#N)c1	610340200	BIDQQURSIHQIHC-LBPRGKRZSA-N	409.280	5.143	30	20	HKED	
CC(C)c1ncncc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613344935	XENXQNXZAZOJEW-CYBMUJFWSA-N	417.321	5.520	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2o1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346965	TZKDUTPFHKHMCO-AWEZNQCLSA-N	413.285	6.353	30	20	HKED	
C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1	614092684	IHYJKOUTIUHDQH-IBGZPJMESA-N	420.582	5.071	30	20	HKED	
CCCc1c(NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)cnn1-c1cccc(C#N)c1	615270662	XBQYJGFJDWAGPI-HSZRJFAPSA-N	413.525	5.311	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F	642474783	AJPWWEHQUFDNDG-UHFFFAOYSA-N	417.431	5.274	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1	675009765	PMBKIRLXJYACMQ-JOCHJYFZSA-N	403.441	5.697	30	20	HKED	
CCC(CC)n1nccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	676242040	MUTZBNCXBKKJMX-CYBMUJFWSA-N	406.433	5.363	30	20	HKED	
CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	677298914	BKLDHOSTYJSDBQ-XNISGKROSA-N	413.377	5.591	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2ccc(CC)cc2)c1	726573404	ZYFLYTJRCIVXSZ-UHFFFAOYSA-O	413.566	5.458	30	20	HKED	
CCS[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(C)C	727626642	DXCJXKHXZHFCJV-SUMWQHHRSA-N	413.395	6.071	30	20	HKED	
C#Cc1ccc(C(=O)Nc2nc(-c3ccc(OCc4ccccc4)cc3)cs2)cn1	728824168	LIGMTDVKUHNERI-UHFFFAOYSA-N	411.486	5.018	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(NC2CCCCC2)cc1	731841700	MJGTWWCEFUGEQF-SFHVURJKSA-N	423.582	5.843	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1	733805822	FSUHIKLHAWMQDE-YOEHRIQHSA-N	420.340	5.577	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccncc1	734662061	VSUQGGRHSBTXOC-DHIUTWEWSA-N	405.929	5.635	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Oc2ccc(-c3nnco3)cc2)c1	734991101	JTOJWLHRQLLXQX-UHFFFAOYSA-N	417.808	5.273	30	20	HKED	
Fc1ccc(-c2csc3ncnc(NN=Cc4occc4Br)c23)cc1	735227785	ZBNASUDFRPJAPU-UHFFFAOYSA-N	417.263	5.299	30	20	HKED	
CCN(C(=S)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1	735623603	OSMYNPBIJXPQEJ-LBPRGKRZSA-N	409.889	5.593	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	739143326	JAQKDGHHQVRZBL-YVEFUNNKSA-N	408.807	5.200	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2s1	741427828	MFNKHSZMTYRUOL-BFHYXJOUSA-N	402.397	5.175	30	20	HKED	
C=CCN(C(=O)c1cccc(-c2cnn(C)c2)c1)c1nc(-c2ccccc2)cs1	741515621	AUSDOVRNCJEASK-UHFFFAOYSA-N	400.507	5.043	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)c2ccc(F)cc2F)cc1	741819498	MSKOTQISWBKOCY-UHFFFAOYSA-N	423.440	5.168	30	20	HKED	
CC(=NOCc1csc(-c2cnn(C)c2)n1)c1ccc(-c2ccc(F)cc2)s1	744179210	CSVTXBHMBCZZCE-UHFFFAOYSA-N	412.515	5.352	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc(Br)c1O	745989989	JETHQHIZLAULIQ-UQCOIBPSSA-N	410.267	5.121	30	20	HKED	
CCCCOc1ccc(C=NO[C@H](C)c2nnc(-c3cccs3)o2)cc1OC	748098286	ZPGUNONUFKQLNA-CQSZACIVSA-N	401.488	5.097	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	750695072	XESFFNJAYPODIN-XJKSGUPXSA-N	412.461	5.467	30	20	HKED	
O=C(O)COc1ccc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	750916018	JXXQUCUXDWRBSH-UTCJRWHESA-N	418.289	5.084	30	20	HKED	
Cc1nc(NN=Cc2cnc([C@H]3CCCO3)s2)c2cc(-c3ccccc3)sc2n1	755521461	QJLWRYOTNRIGIH-QGZVFWFLSA-N	421.551	5.421	30	20	HKED	
O=C1/C(=C/c2ccc(Cl)nc2Cl)COC/C1=C\c1ccc(Cl)nc1Cl	761479770	NIJARZNITIRQIK-YDWXAUTNSA-N	416.091	5.157	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2CCc2ccccc2)c1=S	764900945	XAOQFFCMEDURSR-QFIPXVFZSA-N	419.598	5.107	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1	764986920	IDZXHBFIIJAYTA-SJORKVTESA-N	413.949	5.514	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)c(F)c1	765916505	SNKYTRWUCJFSCT-INIZCTEOSA-N	408.816	5.233	30	20	HKED	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	766028182	VDIPPQXRGQOAAP-WAIKUNEKSA-N	419.456	5.123	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)C1	766622927	KSGICYHAVIJYCG-FGTMMUONSA-N	404.938	5.143	30	20	HKED	
N#CCSc1ccccc1C(=O)OCc1nc(-c2c(F)cccc2F)cs1	768010805	DHFJPLPXJLCKSN-UHFFFAOYSA-N	402.447	5.061	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(SC(F)F)c(OC)c2)c1	772985769	YLTZEJMFPAVPGC-PBHICJAKSA-N	406.498	5.542	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccccc1C#N	777500847	OBJIAFYJLGASKN-HXUWFJFHSA-N	422.554	5.269	30	20	HKED	
CC(=O)N1C/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)c2ccccc2C1	778520274	RLRFBYRQRHNRSZ-HYARGMPZSA-N	415.464	5.033	30	20	HKED	
Cc1sc2ncn(N=Cc3cnc(-c4ccco4)s3)c(=O)c2c1-c1ccccc1	782150804	XCCLRNWELJXCTH-UHFFFAOYSA-N	418.503	5.032	30	20	HKED	
N#CCn1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)cn1	793290153	WPRYJGUYQLUJDS-UHFFFAOYSA-N	421.671	5.411	30	20	HKED	
Cc1nc2ccccc2c(=O)n1N=Cc1ccc(-c2cccc(Br)c2)s1	914600611	BNENTQKZGBIZPU-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc(Cl)c2C)cs1	915050775	CAOINQZPENXEFK-UHFFFAOYSA-N	419.337	5.889	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1	916904078	VSFIYRAIVIVUEE-SFHVURJKSA-N	420.896	5.686	30	20	HKED	
CCCc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	916918232	OCLVVTPFIFDBSV-QFIPXVFZSA-N	412.489	5.103	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1c(C2CC2)nn(-c2ccccc2)c1=S	917457673	NQJMRZOMJKQHNF-UHFFFAOYSA-N	403.555	5.022	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	920112819	KLQKJXIXHBUDOY-RDTXWAMCSA-N	410.926	5.645	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(Cl)c1Cl	920803910	GLJHBMSLTBOSMX-QMMMGPOBSA-N	412.248	5.224	30	20	HKED	
CSc1nc(O)c(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)cc1C#N	1358362770	RLYJSABWAOEFME-UHFFFAOYSA-N	418.522	5.180	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1	1818800279	GLISVEVYNXUKPQ-ICSRJNTNSA-N	412.578	5.141	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O	7119724	BVANMKYRKQFHHB-CYBMUJFWSA-N	401.513	5.022	30	20	HKED	
COc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	14908311	TUENTFWGRMZWPJ-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
N#CCC[C@H](C#N)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1	15245531	YPIDMULGUZFJFD-QGZVFWFLSA-N	407.930	5.047	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21	29599948	BFOZESFJGURKEN-CYBMUJFWSA-N	405.445	5.360	30	20	HKED	
Cc1sc(NC(=O)c2csc(-c3cc(Br)cs3)n2)c(C#N)c1C	58032966	ZXWCDLYFVAMNAN-UHFFFAOYSA-N	424.370	5.436	30	20	HKED	
C=C(C)COc1cc(CNCc2ccc(-c3nc4ccccc4s3)o2)ccc1OC	60947655	XIKCJKBTXGUINJ-UHFFFAOYSA-N	420.534	5.810	30	20	HKED	
Cc1ccc(C)c(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	107805788	WSWFTOZJOKNKPM-UHFFFAOYSA-N	403.507	5.402	30	20	HKED	
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1	207993345	AATICJHADXNEAK-LUAWRHEFSA-N	401.416	5.168	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[C@@H](c2nc3ccccc3o2)C1	301539994	RTOOTMITUYIWBK-CQSZACIVSA-N	420.419	5.233	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ncc(C)s2)cc1	429080609	RMIVYOLZMUDPMX-AWEZNQCLSA-N	408.483	5.007	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)s1	430609615	HUNFLAQUBPGFCM-ZDUSSCGKSA-N	419.428	5.604	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	431722506	MKCFDPFIMZNJMN-UHFFFAOYSA-N	418.324	5.387	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1F	431830281	AAYLEJYUXABEIX-YWZLYKJASA-N	415.509	6.118	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)CN[C@@H](CCCC#N)c3ccccc3)n2)cc1	433040164	RJZDEMYIDWYRPI-FQEVSTJZSA-N	404.539	5.082	30	20	HKED	
COc1ccc(-c2ccn(-c3ccc(S[C@H](C)c4ccc(C#N)cc4)nn3)n2)cc1	436246936	RQMRFSHKEOFYNF-MRXNPFEDSA-N	413.506	5.063	30	20	HKED	
COc1ccc(-n2c(S[C@H](C)c3cccc(C#N)c3)nnc2-c2ccccn2)cc1	442920004	NKTYVRBUCBSGBO-MRXNPFEDSA-N	413.506	5.063	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1	443858494	LEZPPHNWEQQYAM-KRWDZBQOSA-N	416.827	5.004	30	20	HKED	
C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)CCCC1(C)C	444790043	HBIXGYSBVCFHNX-JOCHJYFZSA-N	411.615	6.011	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1	448072852	WVGVVSZPDSMJBD-UHFFFAOYSA-N	404.308	5.375	30	20	HKED	
C=CCOc1ccccc1CNCc1ccc(Oc2ccccc2C(F)(F)F)nc1	462737492	PVRFEEPUOFEHHH-UHFFFAOYSA-N	414.427	5.747	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Nc1ncccc1OCCCC#N	463663011	HAIWBYZPARAJOF-FQEVSTJZSA-N	414.509	5.559	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1cc(C(F)(F)F)ccn1	464466418	IHIJQPONRSAUBO-LBPRGKRZSA-N	413.380	5.460	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1cc(C(F)(F)F)ccn1	464471739	ZIZNDSZLSOBCFD-ZDUSSCGKSA-N	424.300	5.869	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)Nc2ncccc2OCCCC#N)c1C	466612609	YWPOJTFNVXLHPI-UHFFFAOYSA-N	410.518	5.422	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	467390119	NNYYALKVYQQOLY-MRXNPFEDSA-N	415.459	5.331	30	20	HKED	
N#CCCCn1cc(C(=O)NCCc2csc(-c3ccccc3)n2)c2ccccc21	469581204	UCASXTABFYOKSC-UHFFFAOYSA-N	414.534	5.041	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1COCc1ccccc1	471216991	UMHYLGCOYIZZLJ-UHFFFAOYSA-N	400.522	6.014	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	475986149	OTAUVPGOFMDAQT-FYYLOGMGSA-N	405.542	5.614	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	480260073	GCAYOXTXECVZLL-SFHVURJKSA-N	423.904	5.021	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)c1ccccc1	483277245	CLPJEIVQTCLKQB-SFHVURJKSA-N	417.896	5.618	30	20	HKED	
CCc1ccc([C@H]2CN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CCO2)cc1	484149036	WBMFIBBSQNKKAQ-LAUBAEHRSA-N	409.555	5.249	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](c1ccccc1)C(F)(F)F	485470651	ONYRALSTLRIKIK-HXUWFJFHSA-N	414.383	5.106	30	20	HKED	
N#Cc1ccc(F)cc1CSc1nnc(-c2ccccc2F)n1Cc1ccco1	489684918	ULNJXEUNXNQACV-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3occc3COc3cccc(C#N)c3)C2)cc1	489996737	YGBLBRNWOFBNKR-PGRDOPGGSA-N	400.478	5.057	30	20	HKED	
O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1cc(F)c(OC(F)F)cc1F	491247987	RZERLLSTBUWCHG-IUCAKERBSA-N	402.310	5.056	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cc(F)c(OC(F)F)cc1F	491294186	IGGQLYWYNJGNAD-SECBINFHSA-N	424.316	5.810	30	20	HKED	
COc1ccc(Cl)cc1CS(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1	494685348	JOVMNHGBPCFWDC-UHFFFAOYSA-N	411.910	5.002	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	496575908	WTFMUBHLAHRDFH-GOSISDBHSA-N	410.458	5.135	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1	498731145	RVYMFYYSGVYIRE-DNQXCXABSA-N	424.589	5.028	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc([C@@H]4CCCOC4)c3)n2)cc1	500467848	XWBZOLRGSSASLJ-TZIWHRDSSA-N	418.518	5.203	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2cccc(C(C)C)c2)cc1C	502017464	HCOZJTNLZYGZRY-UHFFFAOYSA-N	400.526	5.481	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C	502311614	PBCREQUCKNVYFR-CQSZACIVSA-N	408.951	5.186	30	20	HKED	
Cc1c([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cnn1-c1ccc(F)cc1	504604901	FLKMTHUIPTXCLI-HNNXBMFYSA-N	405.477	5.004	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC	505043574	FCRBWUKKYPAVLK-IBGZPJMESA-N	420.582	5.223	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C#N)c1ccccc1Cl	505630203	FPABSTYXPRBGOZ-OAHLLOKOSA-N	420.683	5.605	30	20	HKED	
C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1	505919052	NMOVSKCOQZZRLB-IFMALSPDSA-N	417.553	5.077	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)CC1	506921458	JSCFMCQSQXATSR-UHFFFAOYSA-N	404.445	5.324	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C1CC1	507540007	XNROKCBWWYHTAQ-UHFFFAOYSA-N	418.472	5.472	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccc(C)cc1Br)[C@H](C)c1ccc(C#N)cc1	509563489	HITXRNOHPUAQPJ-CVEARBPZSA-N	415.331	5.006	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CCC[C@]12CCCCO2	509659538	URLJEPLUKGJWHQ-TZIWHRDSSA-N	418.415	5.033	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cc1Cl	510058065	UQZNILVXINMWTJ-IERDGZPVSA-N	409.917	5.028	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cnc(-c3ccccn3)s2)cc1	510428771	IUMYDZCZPFTDTO-UHFFFAOYSA-N	414.509	5.418	30	20	HKED	
Cc1ccc(-n2ccnc2)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	510482674	QVDSWCTXNFZUFT-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCN1CCCC[C@@H]1C	510714816	FORRPLJNKBLNBQ-FQEVSTJZSA-N	420.557	5.435	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC)c2cccc(Cl)c2)cc1	510749579	KYVZQVBBSNNBCW-OAQYLSRUSA-N	411.933	5.427	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Cc3c(F)cccc3C#N)s2)cc1	513280525	AKHPCNQSWJQCCG-INIZCTEOSA-N	407.514	5.200	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	514575981	UYISLORMAQQTHM-IERDGZPVSA-N	415.880	5.273	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(Br)cc1	515291000	QYALQUURERNLCX-GFCCVEGCSA-N	413.768	5.623	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3cccc(F)c3)nc2)c(C(F)(F)F)c1	515714664	ODPZJQREDKWZDR-UHFFFAOYSA-N	401.363	5.193	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)Cc2ccc(C)cc2)cc1	516241821	QYSGLKLVUIMYJM-UHFFFAOYSA-N	405.542	5.253	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	518746564	HVNNKDZAWJSJTA-QGZVFWFLSA-N	416.550	5.438	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n(Cc2ccccc2)n1	518906932	CQNWCAGNNNTQDP-UHFFFAOYSA-N	422.488	5.351	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1	520155150	SKGFCHMIWLCZBW-HNNXBMFYSA-N	416.955	5.225	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1	520572254	QXCUWOIOVWJXBS-GOSISDBHSA-N	423.582	5.833	30	20	HKED	
Cc1ccc(-n2nc(C(=O)Nc3ccccc3SCCC#N)c3c2CCC3)c(C)c1	520807858	SWJJHFIYKKIMRF-UHFFFAOYSA-N	416.550	5.236	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CSc3nc4ccccc4o3)c2)cc1	521495069	IKTOOWOYIZMWMZ-UHFFFAOYSA-N	401.447	5.223	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl	522458561	OPVUWZPNONWNBQ-YWZLYKJASA-N	401.963	6.111	30	20	HKED	
N#C[C@@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C1CCCCC1	524534989	LVBCMKFQTXOMAC-OAQYLSRUSA-N	422.623	5.738	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)c1	532889616	YXQIAHMONUBZDE-UHFFFAOYSA-N	406.530	5.389	30	20	HKED	
N#C[C@@H](C(=O)c1c(-n2cccc2)sc2c1CCC2)c1nc2ccccc2n1C(F)F	534693029	XNMWYPPNGMTEQT-AWEZNQCLSA-N	422.460	5.262	30	20	HKED	
C=C(C)COc1cccc(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1	535302637	MTWNDRXEEXPSNA-UHFFFAOYSA-N	400.482	5.201	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1Cl	536204900	QEJLYNCIOVTEHQ-AWEZNQCLSA-N	403.290	5.616	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1	539765159	KHUBXZULUVQQLB-SFHVURJKSA-N	420.561	5.065	30	20	HKED	
CC(C)(C)OC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1	539866376	GSUZICGQEWPBPB-GOSISDBHSA-N	404.491	5.255	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1	540777520	HBSNKSVEBLHDGD-SFHVURJKSA-N	415.522	5.243	30	20	HKED	
Cc1nc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nc2ccccc12	541094639	GVQNXPHOMPVUSA-QGZVFWFLSA-N	421.504	5.037	30	20	HKED	
C[S@](=O)Cc1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)ccc1Cl	542187077	XXDIVOUGCVLYRI-LJAQVGFWSA-N	424.953	5.281	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	542962632	QZYWBCMIZCQAAI-VLIAUNLRSA-N	423.879	5.151	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCCCSCC#N	543506175	XMCCTDJAGCNCIF-GFCCVEGCSA-N	410.406	5.179	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCC1CCC(C#N)CC1	556444858	UJZVJGJIMMNBAP-UHFFFAOYSA-N	421.385	5.196	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	558978038	INVOTRFVAVIQRS-VIFPVBQESA-N	402.203	5.112	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1	559976077	JJWDMVOXYPUKLW-OAQYLSRUSA-N	421.294	5.023	30	20	HKED	
CCOC(=O)[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(Cl)c1	570034028	PMGAJWYPXKJHDR-OAQYLSRUSA-N	407.857	5.115	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@@](C)(C#N)C3CCCCC3)c12	574111876	QUCLSQFOVXNWCW-QHCPKHFHSA-N	406.486	5.199	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)nc2)s1	574350647	TYMSOIIVVVKTKP-CQSZACIVSA-N	411.914	5.771	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCc3cccc(OC)c32)cc1	575076339	ODNUWJFPAXHHOY-FQEVSTJZSA-N	414.461	5.036	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	575604550	XRNDJRQBKRGQMM-MOXGXCLJSA-N	413.518	5.262	30	20	HKED	
N#Cc1ccc(CNc2cccc(C[S@](=O)C3CCCCC3)c2)c(C(F)(F)F)c1	578372865	IJYOQCMDCTWAHU-LJAQVGFWSA-N	420.500	5.771	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1ccccc1)c1ccccc1C#N	582565022	ZNYBWZXJIZTWLF-UHFFFAOYSA-N	413.502	5.359	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cccc1-c1ncco1	590106525	CGOIJNXIKSUDTC-UHFFFAOYSA-N	411.421	5.353	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1	603797126	CAFLEBVVUSSWBY-KRWDZBQOSA-N	405.498	5.386	30	20	HKED	
C[C@H](NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1Cl	604006977	HCKKRBBECSUWGZ-KRWDZBQOSA-N	419.912	5.080	30	20	HKED	
N#Cc1cccc(NC(=O)CSCc2csc(Cc3ccc(Cl)cc3)n2)c1	604063026	ZULSFZLQAQMNOD-UHFFFAOYSA-N	413.955	5.131	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCS[C@H](c3ccccc3)C2)cc1	609791150	AZRGWYYVMVHBJN-QHCPKHFHSA-N	418.493	5.420	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(Oc2nccs2)c1	609906834	VOUVJGQEGUHFEA-UHFFFAOYSA-N	403.488	5.788	30	20	HKED	
Cc1cccc2c(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c[nH]c12	610171494	LRXWHKLFFIGWMR-UHFFFAOYSA-N	423.516	5.693	30	20	HKED	
Cn1c(SCc2ccc(C#N)cc2Br)nnc1-c1cccc(Cl)c1	611492091	YLIHVTLXAVWTNB-UHFFFAOYSA-N	419.735	5.062	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	613403772	SPOHWDIHQMQQRD-OAHLLOKOSA-N	414.914	5.627	30	20	HKED	
COc1cccc([C@@H](NCc2ccc(C(C)(C)C#N)cc2)c2cc(F)ccc2OC)c1	614058645	KIPGJQQNHTYRLY-RUZDIDTESA-N	418.512	5.523	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C	615080798	VXGCVIATYHEZJS-UHFFFAOYSA-N	420.456	5.461	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2cccs2)c2ccc(F)cc2)cc1Cl	726468346	CUMZGPYDGPMJBN-UHFFFAOYSA-N	401.919	5.816	30	20	HKED	
Cc1nc(NC(=O)c2occc2COc2cccc(C#N)c2)sc1-c1ccccc1	726500908	SFTQIIXIKITCRP-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1OCC#N	727267524	JTGGYHYZQAOPOR-OQFOIZHKSA-N	408.454	5.065	30	20	HKED	
CCn1c(/C(Cl)=C\c2ccc(OC)c(OCCCC#N)c2)nc2cc(F)ccc21	727267766	PURJXDJUXLFBPI-SFQUDFHCSA-N	413.880	5.623	30	20	HKED	
COc1ccccc1/C(C)=C/C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	727629129	RURQPYGLJUPFMV-SAAWKEMMSA-N	416.424	5.603	30	20	HKED	
COc1cc(OC)cc(Oc2ccc(CN[C@H](C)c3ccc(OCC#N)cc3)cc2)c1	729685807	IIDSTVCUPZTVIZ-GOSISDBHSA-N	418.493	5.249	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(N3CCCCCC3)c2)c1	741072596	ZCZATJMCCOXPMP-JOCHJYFZSA-N	406.530	5.070	30	20	HKED	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2cc(C#N)ccc2F)cc1	742381769	IRWNUSQEKDFAIW-UHFFFAOYSA-N	414.459	5.287	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cnc(C(C)(C)C)s2)cc1	744032860	ISZMHDQFHDPSKY-UZQWLNLLSA-N	409.555	5.315	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1	744038422	UKYQJCUAXYUMOS-KWCYVHTRSA-N	422.378	5.573	30	20	HKED	
N#CCN(C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)C1CCCC1	746606782	GQQSHWNLNCRMEP-UHFFFAOYSA-N	412.518	5.420	30	20	HKED	
C=CC[C@H](NC(=O)C(=O)Nc1ccc(SC2CCCCC2)cc1C)c1ccncc1	749726432	RPDLLOBOWSLNCE-QFIPXVFZSA-N	423.582	5.187	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	750600860	BOTDWHYOOJIRDS-KRWDZBQOSA-N	402.539	5.066	30	20	HKED	
COc1ccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	750685978	ANJFNXRVMKDZAT-AUUYWEPGSA-N	410.926	5.842	30	20	HKED	
O=C(O)CCCOc1ccc(C(=O)/C=C/c2ccc(-c3ccncc3)cc2F)cc1	751524408	CWAYMHDAWWXWLM-JXMROGBWSA-N	405.425	5.027	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	764755170	DEHPMXPMYYZLTH-CABCVRRESA-N	406.404	5.824	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1	766409553	WWVJNDBRHTUKIS-SLFFLAALSA-N	406.407	5.502	30	20	HKED	
Cc1ccc(Cc2nc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1	768777088	JYFRSIKCYBTYIQ-GOSISDBHSA-N	413.502	5.037	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12	769547096	SJTTZZJMWKPOCT-MRXNPFEDSA-N	423.900	5.091	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1	772032998	NBXCQVCNNFZOSK-PKTZIBPZSA-N	412.961	5.503	30	20	HKED	
COc1cc(C(=O)/C=C\c2c(C3CC3)nc3sccn23)ccc1SC(F)F	774554889	DXKMGAGCJKQQAG-WAYWQWQTSA-N	406.479	5.493	30	20	HKED	
COC[C@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nccs1	774683328	UJURZBCNUSQFOF-SFHVURJKSA-N	414.870	5.005	30	20	HKED	
CC(C)(C)Sc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1	779199067	UUVDYCSTNWJTDM-KRWDZBQOSA-N	418.547	5.457	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1	780669521	HHBWNDQXLOEUKN-VBKZILBWSA-N	411.914	5.603	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccc(F)cc2)cc1	780671188	SDMFZMOWAZEFLW-WAIKUNEKSA-N	419.456	5.036	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1c[nH]c2ccccc12	786311387	RIMWLAXYRHUUBN-PXAZEXFGSA-N	414.292	5.316	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](O)c1ccccc1	788570336	DQRXJNJLTSWSJN-SDHOMARFSA-N	413.521	5.222	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	791143018	XIQRBGMVHDMOBN-UHFFFAOYSA-N	404.491	5.207	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1	791866847	IDNGHGRKSUUXGD-UHFFFAOYSA-N	409.530	5.322	30	20	HKED	
CN(C)Cc1cnc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)s1	794708581	SKASVYAAHNIXMF-LCYFTJDESA-N	415.971	5.194	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)c(Cl)c1	796897850	AQAJFTUZAMKKRX-MRXNPFEDSA-N	414.889	5.680	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	800385364	AWCIVMPIIJXCIN-GWCFXTLKSA-N	415.292	6.119	30	20	HKED	
C=CCCc1ccccc1NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F	800592539	UHOZRBQNRLBAAU-HXUWFJFHSA-N	420.456	5.194	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	808359523	AMZIRYHMSKSVII-INIZCTEOSA-N	416.974	5.935	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1	809257406	DDCCLXBCDKGFCE-IBGZPJMESA-N	413.905	5.244	30	20	HKED	
Cc1cc(C(C)(C)C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1Br	810521755	RAJICQAFIXQWJC-KRWDZBQOSA-N	407.311	5.460	30	20	HKED	
Cc1cc(C(C)(C)C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)ccc1Br	810606478	XEJLXIHBZMZELT-CQSZACIVSA-N	405.361	5.492	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1=S	812298587	XUDQQJBHWDSLHW-MSOLQXFVSA-N	424.536	5.201	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	812907275	UCJJFZKKIPMWJB-IBGZPJMESA-N	405.295	5.665	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc2c(c1)CCCC2)c1cc(C(F)(F)F)ccn1	813212480	CVSKEMCUBQTGSJ-IBGZPJMESA-N	402.416	5.015	30	20	HKED	
COc1ccc(-c2cc(C(=O)N(C)Cc3cccc(C#N)c3)c3ccccc3n2)cc1	914449446	AHAJZNPGNGHYST-UHFFFAOYSA-N	407.473	5.054	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc2ccccc2[nH]1	915352285	GSCMVWXBNULKOC-QPPBQGQZSA-N	423.520	5.737	30	20	HKED	
C[C@@H](OCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	915352925	PDPQIGYGZAFJDH-NLFFAJNJSA-N	413.521	5.631	30	20	HKED	
O=[N+]([O-])c1cc(C=NNCc2cccc3cccnc23)ccc1Oc1ccc(F)cc1	915962575	KDVHLOXADSICRP-UHFFFAOYSA-N	416.412	5.198	30	20	HKED	
CSc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	916133409	MFTIDQDVSZNCSR-ZROIWOOFSA-N	407.922	6.210	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(C)o3)n2)cc1	916947981	DHJZIVZWYSDHJF-DYVFJYSZSA-N	407.495	5.186	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917042973	JPEKQIWNDJCOTK-UFZAZABTSA-N	406.816	5.858	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CCC1	1788906962	PLCOBEPDULSNQC-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2)CCC1	1790876832	JXVBITGOJNJMKW-OAHLLOKOSA-N	407.539	5.189	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1	1831367000	DRLKLFNNZLNMKD-VGSWGCGISA-N	416.993	5.094	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)c(C)c1	10168892	BVRJGOUHTBIWFF-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1cccc(O)c1)c1ccc(Cl)cc1	10831702	HAUNAQQVTKCNNJ-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccccc1F	11169587	BATXCRMZEDXCQH-UHFFFAOYSA-O	413.925	5.380	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1	33125859	RYYIBYMQVFDKDG-UHFFFAOYSA-N	422.513	5.727	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Br)c3)n2)cc1	41511501	MGYGICJZOBGIJK-CYBMUJFWSA-N	403.326	5.433	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	43078614	WLMGAFKGEVJRQD-HSZRJFAPSA-N	408.505	5.013	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccc(Br)cc1	62905557	IIRYXZPFJLZRSE-UHFFFAOYSA-N	415.356	5.018	30	20	HKED	
O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1cccc(N2CCOC2=O)c1	63556758	HCWFHYQTVXONOJ-CSKARUKUSA-N	416.458	5.409	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)c1	71981332	JXYHDOYURNEMSY-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@H](C)C#N)c1	195534691	SQUQMYYYHGZCAN-YQODDJSKSA-N	405.523	5.208	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2Nc1snc(Cl)c1C#N	302427179	KDDPMLJVJLJRFC-OAHLLOKOSA-N	404.923	5.505	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C	303262681	FQGRWTRCNGMBSI-MRXNPFEDSA-N	422.579	5.070	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc3cc(Br)ccc3o2)cc1	303409022	UGCBAUQDPIHQLW-UHFFFAOYSA-N	413.271	5.154	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1	303678838	LUPQNYBKCHVBIH-SFHVURJKSA-N	414.461	5.254	30	20	HKED	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	410352248	JBVBCQWZQGYDSX-INIZCTEOSA-N	421.884	5.422	30	20	HKED	
COc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c(OC)c1	410374558	NKFSQWNNCYYLBM-UHFFFAOYSA-N	406.413	5.068	30	20	HKED	
CCN(CCC#N)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	428906497	LLYAPORUNXOGKZ-UHFFFAOYSA-N	407.493	5.499	30	20	HKED	
CC[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccccc1OC(F)F	431841638	COCAABCUILHEOR-RTBURBONSA-N	401.457	5.473	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)s1	431915763	FSUGCEGNCDMLIM-UKRRQHHQSA-N	406.349	5.306	30	20	HKED	
CN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1	439919421	DNGDZTUMSUXPDF-UHFFFAOYSA-N	402.306	5.194	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	444038129	WGGMXJGQIYUCHN-AWEZNQCLSA-N	407.358	5.034	30	20	HKED	
C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(Br)s1	444291494	LQVMAUKTYXWADU-CYBMUJFWSA-N	416.344	5.260	30	20	HKED	
C=CCn1c(SCc2cncn2Cc2ccccc2)nnc1-c1cccc(Cl)c1	445598308	XRTODIQYLTXDFM-UHFFFAOYSA-N	421.957	5.322	30	20	HKED	
N#Cc1ccccc1Sc1ccc(-c2nc(COCC(F)(F)C(F)F)no2)cc1	445745864	UZHJSOSCBHQMRD-UHFFFAOYSA-N	423.391	5.176	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	460566086	QFDSMOUJVZGZEO-MSOLQXFVSA-N	407.345	5.354	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccs2)c1	461320403	DGEZPKMGZRAPSB-SFHVURJKSA-N	423.586	5.137	30	20	HKED	
C[C@H](C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1)c1cccc(C#N)c1	462234761	SGGNCWUNMYSROZ-ZDUSSCGKSA-N	402.404	5.122	30	20	HKED	
C=CCOc1ccc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1	462737845	XKSJGZYIPUSMRG-UHFFFAOYSA-N	414.427	5.747	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(C(=O)Nc3ncccc3OCCCC#N)o2)cc1	463559820	ZXTMGEZXRCIMNJ-UHFFFAOYSA-N	403.482	5.574	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccccc1C	464425238	ZMRGMZZXLKVXPK-MRXNPFEDSA-N	412.415	5.037	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC	464546086	FYBYEGNRFPMCTH-QGZVFWFLSA-N	410.514	5.277	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)co2)cc1	465199637	SEXKLKDKFBCNJJ-UHFFFAOYSA-N	408.461	5.195	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	472691454	HWXBLWZNHMUJHK-NRFANRHFSA-N	404.558	5.193	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(F)c(Br)cc1Cl	475109234	LYEYPPGNHWTVBC-UHFFFAOYSA-N	411.658	5.153	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1cc(C#N)ccc1OC(F)F	475609095	CGZZETIBKMMKDE-UHFFFAOYSA-N	403.429	5.427	30	20	HKED	
Cc1coc(-c2cc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc2C)n1	479284117	NUGYOWFFQAFHOQ-FGZHOGPDSA-N	400.482	5.262	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	479660473	MOXBOXHUTNFYRR-QGZVFWFLSA-N	402.498	5.060	30	20	HKED	
CCc1c(NC(=O)c2ccc(C3(C#N)CC3)cc2)cnn1-c1cccc(C(F)(F)F)c1	482710757	FRQTUXSUEPSJNY-UHFFFAOYSA-N	424.426	5.261	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](C)Cc1ccccc1C(F)(F)F	484674996	UXZITKIDTKYHET-HNNXBMFYSA-N	406.473	5.414	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)c[nH]1	489079490	MCFMDPVFMKRUQE-UHFFFAOYSA-N	406.804	5.272	30	20	HKED	
C=CCn1c(SCc2nc(O)c3c(C)c(C)sc3n2)nnc1-c1ccc(C)cc1	489652043	GVYLAEKSYYUWDO-UHFFFAOYSA-N	423.567	5.059	30	20	HKED	
CC[C@@H](C)Oc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	495241134	FAGNWYQMQBMPEI-CQSZACIVSA-N	424.551	5.132	30	20	HKED	
COc1ccc(OCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	500737698	BXCFOGSQYCDDNR-UHFFFAOYSA-N	402.450	5.075	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl	503226142	OVSAJBHDAVBTBX-LRDDRELGSA-N	420.365	6.054	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl	503795155	RYQDUFIUCUTCGT-GOSISDBHSA-N	420.296	5.287	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3)n2)o1	504549823	WZMZSESXZFFURC-UHFFFAOYSA-N	417.412	5.271	30	20	HKED	
Cc1nc(NC(=O)c2ccc(SCc3ccccc3)cc2)sc1SCC#N	504754845	MOFFSJHSXUELQT-UHFFFAOYSA-N	411.577	5.612	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)o2)cc1	505326856	PSTZTLHGMLUZOD-KRWDZBQOSA-N	413.260	5.451	30	20	HKED	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	505992506	QUEUNDRRDHVWED-AWEZNQCLSA-N	423.369	5.106	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCCOc2ccccc21	506307449	NEXGZWTZRYSHCZ-QHCPKHFHSA-N	413.477	5.694	30	20	HKED	
CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)CC1	509400118	ACEQOLZLZLPECD-JZJYNLBNSA-N	407.517	5.487	30	20	HKED	
N#CCCn1cc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)c(-c2ccccc2)n1	509586249	RJALFLGKVSYTHG-UHFFFAOYSA-N	415.928	5.157	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	509853455	MGWVITCMIOMQSJ-FQEVSTJZSA-N	413.521	5.865	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21	511874904	GGZSVVNIMMZCOM-KTDPBYDISA-N	419.594	5.287	30	20	HKED	
CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	512347059	QAVYEXSIIVFTGE-GOSISDBHSA-N	402.498	5.193	30	20	HKED	
COc1ccc(C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)c2ccc(OC)cc2)cc1	512613336	RRTQELOUPCCGRF-GKVSMKOHSA-N	404.485	5.349	30	20	HKED	
N#C[C@H](C(=O)c1c(-n2cccc2)sc2c1CCCC2)c1ccc(C(F)(F)F)cn1	513209268	AFDVGIBBROEFBK-HNNXBMFYSA-N	415.440	5.321	30	20	HKED	
COc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1OC	514574921	JFCPSHQDTJJUND-IBGZPJMESA-N	406.869	5.265	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Cl)c1	519064121	ITVJGZDQCGPUIW-MRXNPFEDSA-N	405.885	5.752	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCOc1cccc(Cl)c1Cl	521257751	KZLNIGXPQYRCHG-CYBMUJFWSA-N	424.353	5.446	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC3(CCCCC3)C2)cc1	522088921	PAAAZHHOIPFKLQ-UHFFFAOYSA-N	417.553	5.910	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	523927516	CVVQSMCKKUGQHT-UHFFFAOYSA-N	406.511	5.481	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1	523968409	RZGDAKMVHFKZGV-VBKZILBWSA-N	403.404	5.095	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Oc1ccncc1	524487352	BLNHXKXSQISCCU-QGZVFWFLSA-N	403.507	5.829	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1F	525224188	ISKPRAXPCFFKKH-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
C[C@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	525528289	HZWZTCWICXRZAF-CQSZACIVSA-N	413.361	5.386	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)cc3C(F)(F)F)s2)cc1	532006797	FIJJWFKUIYRVSO-UHFFFAOYSA-N	405.376	5.016	30	20	HKED	
COc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1-c1ccccn1	534361450	VYMCRCZLUBESAL-GOSISDBHSA-N	412.276	5.059	30	20	HKED	
O=C(N[C@@H](c1ccccc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	535796626	GDCYRSFMWPGQGM-CABCVRRESA-N	408.317	5.422	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCc2cccc(COCC(F)(F)F)c2)CC1	537945980	HQKLDRFXVCLVAB-UHFFFAOYSA-N	402.460	5.259	30	20	HKED	
N#CC1(CCCNc2cc(C(F)(F)F)ccc2SCC(F)F)CCOCC1	538611663	NVFXLRGVZIJGNO-UHFFFAOYSA-N	408.436	5.575	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1	538625154	IYHZHNXKVBRDRL-UHFFFAOYSA-N	411.465	5.204	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	542880922	LEKHJHKVSORURU-OAHLLOKOSA-N	419.337	5.459	30	20	HKED	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1	542909742	XKSDXNTYIRPNMB-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1	542975861	JDBBUBFLJFMVHM-IMRHEYAYSA-N	405.542	5.179	30	20	HKED	
C=CCN(C(=O)c1cc(C)nc(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	543443523	DXFRTBHEJBPKFY-UHFFFAOYSA-N	419.337	5.357	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@H](C)c2nccs2)cc1	544276657	GFBWVQDWESXEDW-HNNXBMFYSA-N	422.510	5.083	30	20	HKED	
N#CCCC[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1	552312918	BOMJGGUXAAXRDC-GOSISDBHSA-N	400.366	6.249	30	20	HKED	
CC1(C(=O)Nc2cncc3ccccc23)CCN(c2ccc(Cl)cc2C#N)CC1	553101307	CCDIQGRQJXVANH-UHFFFAOYSA-N	404.901	5.005	30	20	HKED	
Cc1sc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)nc1-c1ccccc1F	554707879	RXWVBWMUMYIUJJ-UHFFFAOYSA-N	405.498	5.133	30	20	HKED	
CC(C)CN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@@H](C)c1ccccc1Cl	556525280	FXLPYCLLOSJFLS-AWEZNQCLSA-N	418.324	5.049	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F	562013673	ZPLJNMYLRAFWHH-SECBINFHSA-N	408.317	5.164	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)c2C#N)C1	574616332	ATEVDPGNVFXJQX-MRVPVSSYSA-N	400.372	5.294	30	20	HKED	
O=C(Nc1cccnc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	574793754	JCFOGMGWJVUXOE-UHFFFAOYSA-N	402.216	5.390	30	20	HKED	
CCCc1c(NCc2nnc(-c3ccc(Cl)cc3)o2)cnn1-c1cccc(C#N)c1	577599934	SXCBLQCWNGBDGN-UHFFFAOYSA-N	418.888	5.012	30	20	HKED	
C[C@H](NCc1ccc(Br)cc1C#N)c1ccc(OCC(F)(F)F)cc1	588204560	SAPKBPSGFZLBBB-LBPRGKRZSA-N	413.237	5.113	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCc1nc2c(s1)CCCC2	589228054	LQNQYNRGPQEQAZ-UHFFFAOYSA-N	410.008	5.067	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1ccc(OC(F)F)cc1	603532358	CTOWQTXMOWAYKH-UHFFFAOYSA-N	424.422	5.383	30	20	HKED	
N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccccc2SC2CCCC2)CC1	603656940	HJYJZQKBQUSOCJ-UHFFFAOYSA-N	424.545	5.086	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C(c2ccccc2)c2ccccc2)cc1	603747441	WPGNDZGDUULSRH-UHFFFAOYSA-N	408.423	5.281	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnn(Cc2ccccc2Cl)c1	603968960	PMGUXCAJCWMERH-UHFFFAOYSA-N	418.909	5.437	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CSCc2ccc(F)cc2)cc1	604004036	PROOBLRSQJDEPB-UHFFFAOYSA-N	420.509	5.343	30	20	HKED	
N#CCn1c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc2ccccc21	609162082	WMKDBCWULLBKKC-JOCHJYFZSA-N	418.500	5.208	30	20	HKED	
C[C@H](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1	609174659	RZXWSNYMCBFGSL-HOYKHHGWSA-N	402.469	5.279	30	20	HKED	
CCN(CCc1ccccc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	609231602	CXRKFMNJRGIAFR-UHFFFAOYSA-N	400.547	5.555	30	20	HKED	
Cc1nc(NC(=O)c2cc(Br)cc3ccccc23)sc1SCC#N	609297746	KZJWNWTZISVDNX-UHFFFAOYSA-N	418.341	5.235	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl	609378744	KQWGQSFBFGUDLP-UHFFFAOYSA-N	407.347	6.466	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)cs1	610290436	CUXQKXBOOWRAFY-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](C)c4cccc(C#N)c4)cc3)o2)cc1	610363935	JUARHIMZBYGCTH-QGZVFWFLSA-N	408.461	5.075	30	20	HKED	
CC1=C(c2ccco2)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1	619786494	GVNPYCGGEAVFFO-UHFFFAOYSA-N	400.438	5.050	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)s1)c1nc2cc(C(F)(F)F)ccc2s1	671751396	HGQICOHOVXLKAQ-MRVPVSSYSA-N	420.359	5.885	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](c3ccccc3C)C2)c1=S	725777225	CAUONTWZUGVQOU-LJQANCHMSA-N	420.582	5.031	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3ccccc3F)o2)c1	728186323	XIAPIPNFMIEZRN-UHFFFAOYSA-N	414.436	5.221	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)CSC(C)(C)C)c23)cc1	729636896	QVGFWHMIUZMUBW-UHFFFAOYSA-N	400.573	5.686	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(Cl)c1Cl	731195512	JFWYYUNUPYEXMZ-HNNXBMFYSA-N	409.363	5.467	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F	731409970	BDJKXIQSVAIRGK-APWZRJJASA-N	402.425	5.069	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3C(=O)O)c2)cc1F	731563856	WWARHGVQWROFIX-LUAWRHEFSA-N	406.409	5.008	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(Cl)cc3)cs2)cc1	733258633	HHFXXPAQEOGORY-HXUWFJFHSA-N	409.942	5.510	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c1	733843803	OHKGBOTZWFWVGD-HXUWFJFHSA-N	419.456	5.621	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1	739157843	XTBOJRUHJKFSCS-GWCFXTLKSA-N	407.347	6.158	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=S)Nc3ccccc3C#N)s2)cc1	739443296	HQLIJCIWZGEULS-MRXNPFEDSA-N	406.580	5.688	30	20	HKED	
COc1ccc([C@@H](NC(=O)/C=C\c2ccccc2C#N)c2ccccc2Cl)cc1	739657315	OQWNRXSGHFIMRF-JBDIQEJZSA-N	402.881	5.139	30	20	HKED	
COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1C#N	741853511	ZSBWRUWJUNDDNZ-LICLKQGHSA-N	419.893	5.681	30	20	HKED	
CCOc1cccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	742986540	COZIRZIYPFZBCJ-UHFFFAOYSA-N	417.534	5.539	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CC(=O)c3cccc(F)c3)n2)cc1	744060782	BALUXUFLEGWNAY-LIRRHRJNSA-N	422.481	5.043	30	20	HKED	
C=CCOc1cccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)c1	744766348	ORMMHXGTFXCPLO-UHFFFAOYSA-N	422.554	5.025	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1cc2cnn(C(C)C)c2nc1Cl	745626234	KMDUJGSLENSMSJ-ZHACJKMWSA-N	419.916	5.364	30	20	HKED	
Cc1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1C	745724484	ROSWEKQQWSWKEL-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCCc1ccc(C)cc1	746417542	ZSEIGNRHAHUTRR-SFHVURJKSA-N	412.917	5.026	30	20	HKED	
COc1cccc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c1OC(F)F	747122634	RVAPNYQRFMSGAX-MDZDMXLPSA-N	414.360	5.151	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@H](C#N)c1nc(C(C)C)cs1	747197977	QORLVVHEDJQOLS-HNNXBMFYSA-N	411.596	6.102	30	20	HKED	
C[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc2ccccc2o1	748407174	TUBMSEYOVAKOIE-INIZCTEOSA-N	413.502	5.384	30	20	HKED	
Oc1ccc(-c2ccccc2)cc1C=Nn1c(S)nnc1-c1cccc(Cl)c1	749444201	NYYVHEJTTRUTFR-UHFFFAOYSA-N	406.898	5.142	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1ccc([C@H](C)O)cc1)c1ccc(C(F)(F)F)cc1	750296265	YFPMFBRDRLEBPU-YWZLYKJASA-N	406.448	5.265	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)C(F)(F)c1nccs1	756507057	ZSVMGYITGKXRBJ-UHFFFAOYSA-N	418.359	5.250	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1cccc(N2CCOC2=O)c1	758431585	YAMOKZYZFYUXFR-OUKQBFOZSA-N	415.493	5.023	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1	765338764	DNTPXZQZJHILFN-RBUKOAKNSA-N	415.493	5.439	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cncc4ccccc34)n2)cc1	765588204	CLZQVDYBVFICKP-NRFANRHFSA-N	408.486	5.039	30	20	HKED	
N#C[C@@H](C(=O)CSc1nc(-c2ccccc2)co1)c1nc(-c2ccccc2)cs1	767108665	VESPKGYLXLAIDM-KRWDZBQOSA-N	417.515	5.434	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@@H](C#N)c1nc(C(C)C)cs1)oc1ccccc12	768125965	JTSSQSPJLIVQTH-OAHLLOKOSA-N	405.479	5.420	30	20	HKED	
C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1ccc(C)cc1	768403874	RETXZPCIWVZLGM-UHFFFAOYSA-N	424.595	5.506	30	20	HKED	
COc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1NC(=O)C1CCCCC1	770582775	SMWIYWXVPIXLEN-QGZVFWFLSA-N	407.514	5.117	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccc(F)cc3)s2)ccc1OC	772977899	CVWOYFKQUXIHRY-OXJNMPFZSA-N	424.541	6.095	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	779731652	QTAMSKMQHHGKIV-CQSZACIVSA-N	403.351	5.167	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)CCC2	780003815	WNEOUYYFSPEONJ-NRFANRHFSA-N	403.507	5.117	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	780153284	WVIFNSBVAKHMTH-IVZQSRNASA-N	424.472	5.728	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C	782204093	YKKBIFBPPUQGMQ-UHFFFAOYSA-N	416.355	5.158	30	20	HKED	
CCN(CC)c1ccc2cc(C(=O)/C=C/c3ncc(C(F)(F)F)s3)c(=O)oc2c1	788353473	VUZVPOWITGERSA-BQYQJAHWSA-N	422.428	5.011	30	20	HKED	
C[C@]12CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C[C@H]1C2(Cl)Cl	791198140	YLHHLIFYMMVGKO-QUCCMNQESA-N	401.293	5.006	30	20	HKED	
CSc1ccccc1CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	791749638	JFIFRBLBXWJCJC-JOCHJYFZSA-N	401.535	5.728	30	20	HKED	
Fc1ccc(C(C=NNc2nnc(-c3ccccn3)s2)c2ccc(F)cc2)cc1	799886521	SVADARCHUBDKRN-UHFFFAOYSA-N	407.449	5.108	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1	800570896	XYFOXJVNKMVGEP-NSHDSACASA-N	413.783	5.216	30	20	HKED	
Cc1ccccc1-c1nnc(Sc2nc(Cl)c(C#N)s2)n1Cc1ccco1	804337779	NIKVPKHSJFAGSY-UHFFFAOYSA-N	413.915	5.028	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Cl)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1	810537571	XOCLFDLFUXISRW-LLVKDONJSA-N	412.795	5.527	30	20	HKED	
N#C[C@@H](CCc1ccccc1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	904489423	GKJFQPNPTUARMN-JOCHJYFZSA-N	419.488	5.375	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCSc2ccccc2)cc1	915352128	FIZUQGCZQCIXMY-HSZRJFAPSA-N	401.535	5.646	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)/C=C/c3cccs3)s2)c(C(F)(F)F)c1	916055714	LYTZMQNZJITHLF-AATRIKPKSA-N	419.453	5.338	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OC(F)F)c(F)c1	916141379	GPBKEVLMZSVHCA-QHHAFSJGSA-N	401.178	5.094	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	917025652	NQNALAFTYHHTHQ-OAHLLOKOSA-N	404.438	5.912	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1sc(-c2ccccc2)cc1C#N	917714119	WEFFHCPKJZPRFG-NRFANRHFSA-N	413.502	5.189	30	20	HKED	
Cc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)c1	920140382	FPRITKWPGNTWKO-SFHVURJKSA-N	403.532	5.267	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4)cc3)CCC2)C1	1789047488	FRJIGJVJAYTMCQ-UHFFFAOYSA-N	400.478	5.147	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2C)CC1	1827803853	SBQLNIBBZKGZEH-IRLDBZIGSA-N	414.615	5.058	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1	41556881	OZSLNWCIHBNQDL-MRXNPFEDSA-N	419.435	5.231	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)C(C)C)cc1	44401943	QCSLUFLQNJATKJ-IQGLISFBSA-N	408.590	5.373	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)CC2CCC2)cc1	63163240	UUSJIRLNAGYIHG-UHFFFAOYSA-N	417.553	5.335	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)c(C)c1	64100364	TVCVFFAFFJTGHR-HNNXBMFYSA-N	401.413	5.331	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(CC)no2)nc2cc(-c3ccccc3)sc2c1=O	72000738	ORYLUYPVKHTMLO-CYBMUJFWSA-N	424.551	5.110	30	20	HKED	
Cc1nc(SCC(=O)c2cn(CCC#N)c3ccccc23)c2c(C)c(C)sc2n1	302166875	AILLESJAWZKIGM-UHFFFAOYSA-N	420.563	5.460	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	303229925	XMCRNVQNGKGOTQ-UHFFFAOYSA-N	421.884	5.121	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)Oc1ccccc1	303559253	NCQXTEQXHJLUKA-IBGZPJMESA-N	415.493	5.035	30	20	HKED	
CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	428348244	JHLVVWSUTXSPQJ-UHFFFAOYSA-N	416.506	5.301	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](OCC2CC2)C1	429354591	CMSGNALKRKPFCL-JOCHJYFZSA-N	405.498	5.082	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21	431183728	QOWKTKKMOGGJRP-VGSWGCGISA-N	405.567	6.012	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccnc(Oc2ccccc2F)c1)c1ccccc1	431899687	RJMINBYRISNADV-NRFANRHFSA-N	418.472	5.247	30	20	HKED	
CC(C)[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cccnc1	434167399	MCEOXWJYTIBKCF-NRFANRHFSA-N	403.457	5.054	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@@H](C)c1cccc(O)c1	437835300	BWBPGRBAZWFRSQ-SFHVURJKSA-N	415.493	5.980	30	20	HKED	
C=C(C)CN(CC)C(=O)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	445932465	LWJUZYUVVSVLHS-UHFFFAOYSA-N	423.900	5.044	30	20	HKED	
C=CCN(C(=O)[C@H]1CCCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	447139013	NIZVCAMPQRLVKX-ZDUSSCGKSA-N	411.354	5.453	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C)c(C(C)=O)c2)cc1	447442809	RJPQNHDKPJNLDD-UHFFFAOYSA-N	400.434	5.123	30	20	HKED	
O=C(NCc1ccc(-c2ccco2)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	448030146	KUUSFQCTNYCLOX-UHFFFAOYSA-N	424.316	5.112	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(OCC)cc3)n2)nnc1-c1cccs1	448053918	KTUVRSAUJMMOIN-UHFFFAOYSA-N	424.551	5.539	30	20	HKED	
O=C(Nc1ccc(F)cc1OC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	460497158	SDJBUCCLOBDLBH-UHFFFAOYSA-N	417.227	5.717	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCOc4ccc(Cl)cc43)cc2)cc1	460607804	IPJHKCILKFIETG-UHFFFAOYSA-N	404.853	5.238	30	20	HKED	
Cn1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C2CC2)n1	463494070	ZXFFOQKQIXPLMP-GOSISDBHSA-N	405.889	5.250	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1cc(C(F)(F)F)ccn1	464412710	WKDFBCCYPHNPCN-GOSISDBHSA-N	414.358	5.309	30	20	HKED	
CC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1c(C)nn(C)c1C	464425705	DVUNCBAYNUXQCP-HXUWFJFHSA-N	422.916	5.235	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc1	465527304	MVBZUJKGYIIDTQ-UHFFFAOYSA-N	417.431	5.111	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(-n2cccn2)cc1	466958836	YHVUKHBZUBRUHU-SFHVURJKSA-N	423.476	5.419	30	20	HKED	
C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(-c2ccc(Cl)cc2)s1	471086348	NEHUQWXQPZVKSM-DNVCBOLYSA-N	419.937	5.500	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccccc2C(F)(F)F)nnc1-c1ccco1	473784525	GWTURQFBQGMHEI-GFCCVEGCSA-N	407.417	5.106	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(COc3cccc(C#N)c3)c2)n1	474443883	FNNIMVYPWDPOAG-FQEVSTJZSA-N	401.491	5.207	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1	474446801	POIDDLHWWPCTEE-SFHVURJKSA-N	413.506	5.004	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccccc1	475459936	FNFQFJSHJKZYOZ-HXUWFJFHSA-N	404.514	5.121	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1	475532100	QUNGMRFBNARBEQ-UHFFFAOYSA-N	412.493	5.062	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	475746592	KPPJELCKMBOMMN-UHFFFAOYSA-N	408.329	5.560	30	20	HKED	
COc1ccccc1-c1nnc(SCCCC(C)(C)C#N)n1CCc1ccccc1	475930670	KIPLXPPOYFJLIE-UHFFFAOYSA-N	420.582	5.618	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1ccccc1)C2	476331711	CCFSRORRANENHV-OZXSUGGESA-N	410.517	5.409	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)csc1Br	478100502	IHVUBBIRFOFPDY-SECBINFHSA-N	410.243	5.054	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1nc2ccccc2o1	480548764	FULBHKDKOYVKIC-APWZRJJASA-N	420.538	5.839	30	20	HKED	
C=C(C)[C@H](N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1)c1ccc(F)c(F)c1	480689715	OSLQVZCRULMIIS-AOMKIAJQSA-N	401.501	5.807	30	20	HKED	
N#C[C@@H](NC(=O)CSc1nccc2ccccc12)c1ccc(Cl)c(Cl)c1	482152989	TYORYZGQBYJZRU-QGZVFWFLSA-N	402.306	5.015	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2c1	483199849	TWOIMEZZJNRHGB-QHCPKHFHSA-N	414.468	5.644	30	20	HKED	
N#C[C@H](NC(=O)c1c(F)ccc(Br)c1F)c1c(Cl)cccc1Cl	486425214	MGMUTNZVDYRFPF-NSHDSACASA-N	420.040	5.029	30	20	HKED	
Cc1csc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1Br	489707616	AFYCCDROBFLCNU-JTQLQIEISA-N	404.116	5.121	30	20	HKED	
CSc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1	496518347	PJILUNVDZKFWMY-CYBMUJFWSA-N	420.346	5.724	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)o1	496689709	NJUARDGDPZKBIA-GOSISDBHSA-N	406.869	5.013	30	20	HKED	
CSc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	496723533	OGFYHROCPAEOKN-UHFFFAOYSA-N	406.486	5.049	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1	498245790	YWODJAQUUGDAOP-AKFKNWHVSA-N	418.443	5.028	30	20	HKED	
CCN(Cc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1)C(C)C	499835573	DOWZHWMFCGCGIO-LJQANCHMSA-N	404.341	5.218	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	500306558	PUFIAKKIZUSBJO-VQTJNVASSA-N	400.444	5.365	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc([C@H]4CCCOC4)c3)n2)cc1	500447721	AOEQTYYHAPUGTD-LEWJYISDSA-N	402.519	5.503	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cs2)cc1	501142459	NOQFWBKHGBCNCI-UHFFFAOYSA-N	418.503	5.066	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cnc(-c4ccccc4F)s3)n2)c1	502395411	VOZMDEQXRJTGEA-UHFFFAOYSA-N	406.467	5.197	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2nc(C)oc2c1	502679190	LNRFKGZPZIHYAD-UHFFFAOYSA-N	418.266	5.258	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C#N)c1ccccc1Cl	505693961	JWQJKVSCRWUCHQ-OAHLLOKOSA-N	404.228	5.091	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1/C=C/c1ccccc1	505839431	MLFUJOILFBVDOT-HJLKFOAISA-N	405.567	5.055	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1CN(CCC#N)Cc1cccnc1	505848750	YXNPNYNRMCUPLC-UHFFFAOYSA-N	407.521	5.159	30	20	HKED	
COc1ccc2sc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c(C)c2c1	505959746	JKHSBMJMKMWXBA-MRXNPFEDSA-N	404.413	5.232	30	20	HKED	
N#CC1CCC(CNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1	508352808	PTOZCTXMZOUKLS-BUNACBEFSA-N	400.494	5.244	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1	509111341	NFVQJCCKVQJNEI-UHFFFAOYSA-N	419.477	5.100	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1oc2ccccc2c1CSc1ccccc1Cl	509717236	UGQSVAFMHOFRSK-OAHLLOKOSA-N	412.942	6.000	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc(F)cc(C#N)c1	509835606	CONSGZNPWUKTGS-UHFFFAOYSA-N	412.468	5.012	30	20	HKED	
CCN(Cc1cccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511337631	ABZUUXLKNGBIMP-UHFFFAOYSA-N	405.523	5.447	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)c1	513108139	KOLSXTWUPNSQDX-XMMPIXPASA-N	412.489	5.123	30	20	HKED	
COc1ccc(CN(C(=O)NCC(C)(C)CCC#N)[C@@H]2CCCC[C@H]2C)cc1OC	513124954	YPAMHCVZHXEELH-UYAOXDASSA-N	415.578	5.124	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F	514849669	MISQIXARFRPZRZ-LBPRGKRZSA-N	402.869	5.436	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1[nH]c2ccc(F)cc2c1Cl	515825493	LDBUYBZXQRWKOR-UHFFFAOYSA-N	420.831	5.580	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1Cc1ccccc1	518654638	LUCGYOJXLNMURG-KRWDZBQOSA-N	422.579	5.056	30	20	HKED	
N#Cc1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c1	520305442	JMQCRYVCVRMIKD-UHFFFAOYSA-N	401.516	5.637	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl	520924071	HRIVWJUQUZFACU-AWEZNQCLSA-N	423.365	6.185	30	20	HKED	
C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)NCc1ccccc1Cl	521538207	YHADPOGBKVHTIA-INIZCTEOSA-N	405.885	5.121	30	20	HKED	
O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	522687874	ADZPFDNMBYUUAQ-UHFFFAOYSA-N	423.328	5.362	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1	523509682	PUMROOGBEVHKFE-SFHVURJKSA-N	421.415	5.080	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@H](C)c1ccc(C#N)cc1	523983748	OYKMSSXFGQIXLH-QGZVFWFLSA-N	401.514	5.233	30	20	HKED	
CC(C)CCc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	527117195	KXKUESYVWFUECH-KRWDZBQOSA-N	409.555	5.104	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)C1CCCC1	533062436	IWPNXUBDIREAMP-HOYKHHGWSA-N	407.583	5.540	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C	533489296	XMVSFBPRUMLFDO-ZHRRBRCNSA-N	413.562	5.535	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1	533906241	NNPCQJQTEQGLCE-KRWDZBQOSA-N	404.489	5.109	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1	534478552	CPJBGPWQMVTDAL-MRXNPFEDSA-N	418.994	5.168	30	20	HKED	
Cc1ccsc1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	536915796	LHOGCGFBHVMBQF-UHFFFAOYSA-N	405.523	5.066	30	20	HKED	
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	537926600	AFFGZGFOZWWDJI-LJQANCHMSA-N	415.493	5.156	30	20	HKED	
COc1ccc(C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2ccc(OC)cc2)cc1	538501732	BDXODPLYAUNNAU-GKVSMKOHSA-N	404.485	5.349	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2/C=C\c2cccs2)cc1	543037525	XXGONYAAWQGFBF-ODLZTCLXSA-N	409.555	5.154	30	20	HKED	
N#C[C@@H](NC(=O)c1scnc1C1CCCC1)c1ccc(OCc2ccccc2)cc1	546050480	ZALWJKGDCQNUCD-OAQYLSRUSA-N	417.534	5.374	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)C1(C)C	546792569	HKKHXUDKZHSUBZ-IRLDBZIGSA-N	406.501	5.180	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1Cl	547960265	LZHTZWUEGNSCAF-UHFFFAOYSA-N	419.584	5.125	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(F)c(Br)c(Cl)c2)s1	552118344	CYQIONGEZOJNBH-VIFPVBQESA-N	415.715	5.486	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	552133127	YDYSXLWLPZJOOS-DEOSSOPVSA-N	419.544	5.401	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC[C@H](C(F)(F)F)C1	552418170	NNNYBWJGXVHEFT-VDDIYKPWSA-N	407.276	5.404	30	20	HKED	
COc1ccc(CN[C@H](c2c(Cl)cccc2Cl)C2CC2)cc1OCCCC#N	554964919	AVHKVZZQQZPBRK-QFIPXVFZSA-N	419.352	5.925	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1	563246712	AQNGFQSFFLBCNB-VFNWGFHPSA-N	417.937	5.694	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(OC)c(OC)c1	569701564	BIHILKUOLWWDFN-RDJZCZTQSA-N	413.543	5.228	30	20	HKED	
Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	572068154	SGVXULNLISQKDZ-UHFFFAOYSA-N	409.873	5.274	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1	576508090	USFMMKFYEWLJBD-OAHLLOKOSA-N	421.526	5.298	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	577906915	BGTMZNTVVOLFII-HNNXBMFYSA-N	419.550	5.363	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	582448498	IYZCYVQBGQIFQK-BEFAXECRSA-N	413.447	5.132	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	585765205	LKCKHNHLGRVOJL-GOTSBHOMSA-N	414.471	5.712	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Br)c1	588313367	JPPPFLINHAUWLS-GOSISDBHSA-N	414.303	5.088	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1Cl	603766021	JPHHULXJTUTOBS-KRWDZBQOSA-N	419.893	5.964	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604003545	IMMNSZLZRCWJKY-KRWDZBQOSA-N	420.896	5.391	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C#N)c3)cc2Cl)cc1	604089565	DYNMGFSJMVNCMC-UHFFFAOYSA-N	402.841	5.197	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3Cc3ccccc3)cn2)cc1	609139310	YTNMLMBRMGSXDW-QFIPXVFZSA-N	412.493	5.375	30	20	HKED	
N#CCc1ccc(NC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)cc1	609296965	OXPTWQBWAHUITI-NRFANRHFSA-N	411.288	5.818	30	20	HKED	
Cc1ccccc1C1CC(N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C2CC2)C1	610193329	HEINOLXUNYENEF-UHFFFAOYSA-N	423.516	5.605	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642409526	WZQINRMHWCKKGB-RKDXNWHRSA-N	420.300	5.319	30	20	HKED	
FC(F)(F)c1ccc(C#CCN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	674249330	OYOQFFKXVWYNIY-ZIAGYGMSSA-N	403.288	5.120	30	20	HKED	
CCC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Cl)cc1Cl	726426000	FAKKMIBBPCSLIE-UHFFFAOYSA-N	407.269	5.216	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3cc(O)ccc3C2=O)cs1	726427609	QQDSVZBHFWYRMX-GZTJUZNOSA-N	404.491	5.054	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(-c2cccs2)no1	728299448	RTBMJJJCXKWMPW-AWEZNQCLSA-N	420.469	5.561	30	20	HKED	
CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccccc1Oc1ccccc1	729473230	STJBVUIUKZOIFB-HXUWFJFHSA-N	420.472	5.152	30	20	HKED	
N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730416689	GRVZRAQCBABKMC-IBGZPJMESA-N	416.477	5.418	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(C(F)(F)F)c1	731646013	VZPIIBURILQZGG-MRXNPFEDSA-N	408.470	5.179	30	20	HKED	
COc1cccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)c1OC1CCCC1	733213771	ZRALDBTUPYSGGE-UHFFFAOYSA-N	415.946	5.028	30	20	HKED	
C=CC[C@@H](NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccncc1	734237116	LFRIOHUUBBSZPG-VWNXMTODSA-N	422.981	5.991	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCSc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	744037656	BIZYLCHPJSNWLO-KBPBESRZSA-N	418.465	5.771	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc2cc(F)ccc2s1	744117688	BCRPYAJCQOKWQC-SOUVJXGZSA-N	405.281	5.722	30	20	HKED	
CC/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(C)cc1	745125486	KECHIBGTCRLSSA-DYGKOUCMSA-N	422.550	5.222	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cc(C)ccc1C	749102805	SATAVKCIFSLJOO-UHFFFAOYSA-N	407.352	5.590	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccncc3)cc2F)SC1=S	751527753	YWCPDJSWXICPIC-UDWIEESQSA-N	417.490	5.165	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)c1	752873011	ACMWWWVCQOURIN-UHFFFAOYSA-N	409.848	5.306	30	20	HKED	
N#Cc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)ccc1F	756259786	JHMHMDSGDSLGKB-ZSOIEALJSA-N	419.268	5.191	30	20	HKED	
CC(=NNc1cccc(Cl)c1C)c1ccc(CNC(=O)OC(C)(C)C)nc1C	760249742	GMHCAUITWYGBFK-UHFFFAOYSA-N	402.926	5.213	30	20	HKED	
CC(C)CCSc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)cc1[N+](=O)[O-]	760784542	UZLUEQQWPLIMME-UHFFFAOYSA-N	417.462	5.027	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1OCc1ccccc1	761661266	GAIFPMQQSUXDEW-QGZVFWFLSA-N	419.456	5.190	30	20	HKED	
C[C@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	765137161	BDCBCBUMVURPDI-UPVQGACJSA-N	419.912	5.025	30	20	HKED	
N#Cc1ccc(C2=CCN(Cn3nc(-c4cccs4)n(C4CC4)c3=S)CC2)cc1	767986153	FIXHXBRMKHSIRE-UHFFFAOYSA-N	419.579	5.096	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)n1	768156228	MJMWMGBIBDBZFH-SFHVURJKSA-N	413.955	5.392	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F	769123254	XZSALBQJPMLZEZ-MAUKXSAKSA-N	404.457	5.387	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1CCC(C(F)(F)F)CC1	774167391	CSTJWUSBDMKZEN-UHFFFAOYSA-N	410.223	5.069	30	20	HKED	
C=CCc1cc(CN[C@H](c2cccnc2)c2cc3ccccc3o2)cc(OC)c1OC	779407580	DUBJQXZBIURKBC-RUZDIDTESA-N	414.505	5.453	30	20	HKED	
Cn1cc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(-c2cccs2)n1	779595316	HMVMRPCUDJLLQV-UHFFFAOYSA-N	418.497	5.350	30	20	HKED	
COc1cc(CNc2ccc(OC(C)C)c(C#N)c2)ccc1OCc1c(C)noc1C	779605244	TYTKNZXTKVURAX-UHFFFAOYSA-N	421.497	5.150	30	20	HKED	
N#CC1(COC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)CCOCC1	780540335	AOYNULUKNNBEGH-IBGZPJMESA-N	401.915	5.037	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC=C(c2ccccc2)C1	782570152	WKZISSUMNCDWAE-UHFFFAOYSA-N	409.489	5.377	30	20	HKED	
C=CCCCN(C)C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1	786188303	VUBYALXGJDGGTM-UHFFFAOYSA-N	415.456	5.160	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1cnc2ccccc2n1	792107237	DGEYPRFULJCXNR-VJBWXMMDSA-N	419.484	5.189	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1	806802444	MWWCNRXWOTZUFU-UHFFFAOYSA-N	420.254	5.145	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1sc(-c2ccc(F)cc2)nc1C	814911053	QQDYQVKAXHBNIC-UHFFFAOYSA-N	410.503	5.007	30	20	HKED	
N#C[C@]1(c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)CC2CCC1CC2	904476116	CHSHIWFUUGQIIY-DZMFODKZSA-N	409.493	5.106	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(Cc2ccc(Cl)cc2)C2CC2)c1=S	917476935	FXEGCGKAQQZPRK-UHFFFAOYSA-N	400.935	5.136	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2C2CCCCC2)c1=S	917478201	LNVLRWYPTBVEJD-FQEVSTJZSA-N	412.603	5.278	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc(F)c1)c1nc2cc(C(F)(F)F)ccc2s1	918491550	CKKRNBZTACBYSJ-OAHLLOKOSA-N	422.403	5.490	30	20	HKED	
O=[N+]([O-])c1ccc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1	919964589	UKNVEAQTYUTPJJ-YUMQZZPRSA-N	410.236	5.181	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3ccccc3C2(C)C)cs1	920069840	DCWAPYKPQLVYBD-BKUYFWCQSA-N	402.519	5.694	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1	920267715	IYUAZEBQAWQKBE-APWZRJJASA-N	405.523	5.281	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/Sc1ccc(C)cc1)C2	1798334818	LWHGNOMUYMBPKO-IZCOTOMCSA-N	424.610	5.007	30	20	HKED	
C=C1CC(C(=O)N2CC3(CCCN3C(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2)C1	1845418418	OSPHSTYZONYEIA-UHFFFAOYSA-N	422.613	5.065	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccccc2Cl)c1	10827133	KTFFVIYRFVDFMN-UHFFFAOYSA-O	423.989	6.110	30	20	HKED	
C=CCNc1nnc(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1	11394153	VROXQXJMJRXODF-ZETCQYMHSA-N	423.778	5.216	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OCC(C)C)CC1	56800438	KYBMKTCCKJIMHI-UHFFFAOYSA-N	407.514	5.328	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1cnn(-c2ccccc2)c1	72025290	TXNULXZXGMIXEY-UHFFFAOYSA-N	422.488	5.416	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(Oc2ccncc2)c1	78991653	MZAYXTQJDUZYDO-UHFFFAOYSA-N	423.497	6.149	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1NCc1cccc(NC(=O)C2CCCCC2)c1	301303683	SOERLDAOZWALCW-UHFFFAOYSA-N	402.420	5.103	30	20	HKED	
C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cccc(Cl)c1	302973578	OMMXJCSLYBSBNH-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
COc1cc(CN2CCC[C@@H]2c2csc(C)n2)ccc1OCc1cccc(C#N)c1	426729143	AHGUDRIBTWEZQG-JOCHJYFZSA-N	419.550	5.248	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1ccccn1	430511205	VNUSUSHTMZTWFR-GFCCVEGCSA-N	400.265	5.486	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1	432232810	QOWSZRPSKWAVCL-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F	433141321	NYDZWKFMJCIOCX-RDJZCZTQSA-N	421.488	5.939	30	20	HKED	
Cc1c(Br)ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1F	433751935	RVLPXZLTHRNRLJ-CRAIPNDOSA-N	416.294	5.200	30	20	HKED	
CC1(C)Cc2ccc(Cl)c(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2O1	435332771	MLXNULJSFOKUHB-PKOBYXMFSA-N	409.917	5.357	30	20	HKED	
C=CCN(C(=O)c1cc(C#N)cs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	437415903	XJOJMJHSVBQPMT-UHFFFAOYSA-N	420.346	5.883	30	20	HKED	
C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1	437638350	GCBVXDSHHJBUGF-JOCHJYFZSA-N	405.441	5.131	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1cccc(SC)c1)c1ccc(C(F)(F)F)cc1	442056043	LEOVXDPGAVLLGU-SFHVURJKSA-N	422.472	5.190	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)on2)c1	448138883	WOMLUAVSCCWAST-UHFFFAOYSA-N	423.457	5.137	30	20	HKED	
C[C@@H](C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(C#N)c1	462593827	OKLJOAIGWSNOIE-BZNIZROVSA-N	400.322	5.100	30	20	HKED	
CC(C)(C#N)c1ccccc1CNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	464087577	NRNUJHXNMHULKZ-UHFFFAOYSA-N	421.903	6.145	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	464263464	FLCDOIDGKDQLPS-HNNXBMFYSA-N	420.488	5.241	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccoc1C(F)(F)F	464445112	WQUMEUCXBGUZCU-NSHDSACASA-N	419.243	5.741	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(Br)c1)c1cc(C(F)(F)F)ccn1	464464903	HZEFZJSXCXHKJF-LBPRGKRZSA-N	403.585	5.006	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1CCC(F)(F)F	465245405	XSXCLQRFADEGSD-QUCCMNQESA-N	401.432	5.485	30	20	HKED	
N#CCCCOc1cccc(NCc2ncc(-c3ccc(Br)cc3)o2)c1	467262695	GYPLWNMYFNSQRQ-UHFFFAOYSA-N	412.287	5.399	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(C#N)cc1	468875558	GCZRLDXMFHNSIL-NVXWUHKLSA-N	404.539	5.454	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1nnc(-c2c(-c3ccccc3)noc2C)o1	470911283	ROYYTKRFMSBQRQ-UHFFFAOYSA-N	400.482	5.278	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2ccccc2)ccc1Cl	471435161	ZPAUFPHQYIDJNI-UHFFFAOYSA-N	405.885	5.167	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C	475580658	ZRKKZJXSCNFJAY-QHCPKHFHSA-N	418.541	5.192	30	20	HKED	
CCOc1cc(Br)ccc1NC(=O)Nc1cccc(OCCCC#N)c1	478591824	MUPIJRKPDBTJFB-UHFFFAOYSA-N	418.291	5.174	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1	479689349	SNFVYZICOQUFGB-CYBMUJFWSA-N	408.365	5.241	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1	480557658	WTWAENVVDMCMFQ-INIZCTEOSA-N	419.978	5.015	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	480828330	JNGTZUIMIZQZLM-IBGZPJMESA-N	421.378	5.364	30	20	HKED	
N#Cc1cc(NC(=O)c2cc3ccccc3c3cccnc23)ccc1OCC(F)(F)F	481881583	SDGBRRWDUIPIIE-UHFFFAOYSA-N	421.378	5.453	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	482050415	PNQIXFQKOJCENH-SMIHKQSGSA-N	404.554	5.575	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nccc2ccccc12	483217469	NCDMMRXUTIMVLN-QHCPKHFHSA-N	415.452	6.047	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)cc1C(F)(F)F	483631544	BCXOXXSSGXOFBE-UHFFFAOYSA-N	422.457	5.101	30	20	HKED	
COCCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H]1CC[C@@H](C)C1	483703529	TZQNESLQULKCKV-XMSQKQJNSA-N	421.541	5.115	30	20	HKED	
C=C(C)CN(C)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	487099137	KUCKFFOIIYKPDK-CYBMUJFWSA-N	408.365	5.160	30	20	HKED	
N#CCCC[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1ccccc1	487211535	OTQCAXHIWHNNAN-SFHVURJKSA-N	411.552	5.188	30	20	HKED	
C=CCn1cccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	488223998	UVVZNNFVAKGSPE-CQSZACIVSA-N	402.306	5.594	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	491284101	MWZYIITTZIQOOL-ZDUSSCGKSA-N	414.252	5.130	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C	495443752	FAAUSWQHWNAJII-SFHVURJKSA-N	424.545	5.376	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(F)cc1Br	497450675	MHPMNHYSWUJJQH-DNVCBOLYSA-N	416.294	5.200	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	502368491	RXUWTCVFHJRPKA-IVZQSRNASA-N	408.860	5.024	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1	503149556	CXWRZKVLXUCZAW-GFCCVEGCSA-N	415.490	5.592	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1)c1ccccc1	507152817	ZQNGNOQKTVYAFR-UHFFFAOYSA-N	417.896	5.060	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1	508093265	CLIMSRNVGAMKJC-KRWDZBQOSA-N	415.335	5.246	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	509649699	MWDUMYYAOYLLOP-CYBMUJFWSA-N	412.465	5.109	30	20	HKED	
COc1cccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c1	510812981	KRISZHXSTOPPEU-UHFFFAOYSA-N	412.489	5.125	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	518030739	ZJHNWWUMSAJRKR-UHFFFAOYSA-N	415.424	5.425	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCc3ccc(F)cc32)cc1	518046229	KTFFNXVLLKYOHD-QFIPXVFZSA-N	402.494	5.407	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1	518140399	NZEFLMYICWPAST-HXOBKFHXSA-N	421.591	5.318	30	20	HKED	
C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2[N+](=O)[O-])C1	519402361	JQNVAKGOSPGTRT-INIZCTEOSA-N	424.526	5.089	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCc1ccc(Cl)c(Cl)c1	520828798	ZKFRZXOBOJOUAO-AWEZNQCLSA-N	407.366	6.207	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3cscn3)c3ccccc3)cc2)nc1	521075762	OKJRMMCUBWRTFH-UHFFFAOYSA-N	412.474	5.049	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(N4CCCC4)c(F)c3)c2)c1	521607947	XYBOTJJXPZZEHP-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
C=CCOc1ccccc1CNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	521987122	IIXXHTFBURFWFH-RTBURBONSA-N	404.535	5.227	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	525043723	IMXCCFXXQYKDRX-ZWKOTPCHSA-N	405.404	5.074	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(O)c3ccccc23)cc1Cl	526052913	ZCSWWTJCZXADSV-HXUWFJFHSA-N	413.864	5.502	30	20	HKED	
CCN(CC)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C	532771935	AXFFBOGJSLNRIA-ZHACJKMWSA-N	420.582	5.073	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(CC#N)cc2)c1	536087741	IESVBYFDOIBHOQ-LJQANCHMSA-N	411.505	5.115	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542929954	HNANFWAEZPMRHR-OAHLLOKOSA-N	417.490	5.346	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	542958934	PXRLIMCLEPEDGV-JLTOFOAXSA-N	423.879	5.151	30	20	HKED	
Cc1c[nH]cc1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543099171	YPWXVLXDXBMGCI-GFCCVEGCSA-N	418.259	5.394	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1	546151747	OXPRKKHOMDIGAN-UHFFFAOYSA-N	403.507	5.372	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1Cc1ccccc1	546834610	XDWZTUMSFKJBRK-TZIWHRDSSA-N	422.598	5.067	30	20	HKED	
Cc1cc(C)c(C[C@@H](C(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C(F)(F)F)c(C)c1	553810855	JWRADCYRGVWBKQ-HJNYFJLDSA-N	414.471	5.099	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1	557019137	MQEKFFRTXJHUCA-UHFFFAOYSA-N	409.301	5.903	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1	558299632	PMWLNOPZIKEFJY-UHFFFAOYSA-N	424.524	5.016	30	20	HKED	
COc1ccc2cc(-c3nn(-c4ccccc4)cc3CNCC3(C#N)CC3)ccc2c1	572075756	XQYGJEUFRZCZQM-UHFFFAOYSA-N	408.505	5.094	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1cccc(F)c1	573884671	DNXAVHQVFUNVAM-OXJNMPFZSA-N	410.468	5.224	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1)c1ccccc1	578124460	FICIATMGTVHPLM-FQEVSTJZSA-N	423.476	5.621	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1c2ccccc2CC12CCOCC2	583114206	ZGWCEGHUIGUVFV-JTSKRJEESA-N	421.566	5.154	30	20	HKED	
Cc1c(-c2ccccc2)sc(NC(=O)CCCCCC#N)c1C(=O)N1CCCCC1	588825049	USKBXEYYNJRDOQ-UHFFFAOYSA-N	423.582	5.762	30	20	HKED	
N#CCCC[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1	590477837	CRZTUMTXXLGYLP-VQTJNVASSA-N	418.566	5.064	30	20	HKED	
Cc1ccc(NCc2cccc(F)c2C#N)cc1Oc1ncccc1Br	600854432	QKGPYEABQTWMCS-UHFFFAOYSA-N	412.262	5.568	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)nc1	603532906	FGOJJNMNODBRSR-UHFFFAOYSA-N	413.374	5.267	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3ccc(F)cc3s2)cc1	604003558	FPWCMSNGCZPPKP-UHFFFAOYSA-N	416.477	5.938	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Oc3cccnc3)cn2)cc1	604523223	FIRITWNKUGJOJE-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C=CCn1c(S[C@H](CC)c2ccc(F)cc2)nnc1[C@H]1COc2ccccc2O1	606150149	FBBIOSLROIILBY-WOJBJXKFSA-N	411.502	5.359	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609054903	QESAGLPABSLUDL-UHFFFAOYSA-N	400.887	5.107	30	20	HKED	
COc1cccc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)oc12	609061540	PDFLXJOIKOKYPJ-UHFFFAOYSA-N	412.445	5.453	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCc3nnc(-c4ccsc4)o3)c2)cc1	609177436	UDKBWUNHEUFBRL-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)c3ccc(C#N)cc3F)cc12	609215955	BQGWOKWYBVXNCP-UHFFFAOYSA-N	424.888	5.336	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)Nc3ccccc3SCCC#N)cs2)cc1	609375478	CYGZOMSDJWVXBT-UHFFFAOYSA-N	423.563	5.857	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccccc1OC(F)F	609388606	NJGSVTSPBWTWLO-AWEZNQCLSA-N	422.522	5.554	30	20	HKED	
C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)c1ccc(C#N)cc1	609813522	JDALXKIZJQXDSX-AWEZNQCLSA-N	403.532	5.387	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CN[C@H]1CCCc2cc(C#N)ccc21	611391147	WCABQNOHDIDCNW-QHCPKHFHSA-N	413.521	5.702	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccccc4)c4c3CCC4)n2)cc1	613314233	DKMJOOSRXVJEBY-HXUWFJFHSA-N	424.529	5.283	30	20	HKED	
C=CCn1c(Sc2ncnc3c2oc2ccccc23)nnc1-c1ccccc1F	669624556	JTAOXHXFIGMYEJ-UHFFFAOYSA-N	403.442	5.111	30	20	HKED	
N#C[C@H](C(=O)c1scnc1C1CCCC1)c1nc2cc(C(F)(F)F)ccc2s1	680617282	NGXHKSSUZFWNSW-GFCCVEGCSA-N	421.469	5.919	30	20	HKED	
O=C(Nc1cccc(C=Nn2cnc3ccccc32)c1)c1ccc(Cl)cc1Cl	725849324	DWRGJFFOPVKMNE-UHFFFAOYSA-N	409.276	5.478	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1	726475759	COCNBQFBDQWIFH-ZDUSSCGKSA-N	412.971	5.691	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=S)N[C@H](C)c1ccc(Cl)cc1Cl	726483771	TVVGFPPALMURTM-CQSZACIVSA-N	404.366	5.489	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1	727978962	QOAVRXPPQANTMX-UHFFFAOYSA-N	418.478	5.163	30	20	HKED	
Cc1nc(/C=C/c2cccnc2Cl)sc1C(=O)/C=C/c1cccnc1Cl	728698562	LANKPOLAKAURSK-CDJQDVQCSA-N	402.306	5.615	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1	728767105	VFURMAODQLIUQC-PMACEKPBSA-N	416.443	5.413	30	20	HKED	
N#C[C@H](C(=O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1)c1nc2ccccc2s1	731032844	IWYJSCCTGQDCOY-UTKZUKDTSA-N	414.534	5.181	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)O[C@H](C)CC#N)cc12	733711990	RACOHDNBYBDMBG-SNVBAGLBSA-N	408.310	5.220	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](c3ccccc3)C3CCOCC3)c2)cc1	734349366	FHSJKBSKMDAAJY-RUZDIDTESA-N	412.489	5.248	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)[C@@H](C)Oc1ccc(C#N)cc1	739304891	QGKDVDSNZAYFOA-LSDHHAIUSA-N	410.470	5.201	30	20	HKED	
N#CCOc1ccc(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)cc1	742064827	VQKCSEVFEYOADU-UHFFFAOYSA-N	416.443	5.126	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)s1	744034612	CSKBPDRCMQZWSD-CFHLNLSMSA-N	401.944	5.593	30	20	HKED	
CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	746660632	STLUFOKNOVQSHT-RUZDIDTESA-N	413.521	5.795	30	20	HKED	
O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1cc(Cl)sc1Cl	747191249	CCKBZLRDLHQNMB-AATRIKPKSA-N	419.333	5.336	30	20	HKED	
C[C@H](CCC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	750312947	LVPWJGMBIOUDNB-RHSMWYFYSA-N	405.523	5.036	30	20	HKED	
Cc1noc(C)c1[C@H](C)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	750399223	ZFYUOAKBXYRZFN-URTVVVRQSA-N	409.555	5.196	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1	750688769	VZEZMHZKICTYBI-PELKAZGASA-N	401.702	5.159	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)c1C	750907941	BVEYFFJMTCUXJF-CMDGGOBGSA-N	416.344	5.302	30	20	HKED	
COc1cc(C(=O)/C=C\c2cnc(-c3ccncc3)s2)ccc1SC(F)F	753140880	DZPRUKIVJCEVDM-ARJAWSKDSA-N	404.463	5.425	30	20	HKED	
C[C@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)NC1(C#N)CCCCC1	753853700	GWJPEFFMZMVFOZ-NSHDSACASA-N	413.490	5.138	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	755365337	KANUWUBXTSWLAK-CQSZACIVSA-N	409.232	5.316	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)[C@@H](OC3CCOCC3)c3ccccc3)cc2)cc1	758145371	YKYBFKPGNMAKAO-VWLOTQADSA-N	413.473	5.068	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCn1ccc2cc(Cl)ccc21	759183287	MUFHTXCUTTVAMS-GOSISDBHSA-N	403.869	5.066	30	20	HKED	
Cn1c(CC(=NOCc2ccc(Cl)cc2C#N)c2ccccc2)nc2ccccc21	774763336	ZBMOJOMVVBPQNY-UHFFFAOYSA-N	414.896	5.262	30	20	HKED	
C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	779713180	QMDQMXGSOVMYGP-VXGBXAGGSA-N	411.811	5.089	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782753660	LQKRABNEKMWZEF-LJQANCHMSA-N	412.537	5.194	30	20	HKED	
O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1sccc1SC(F)F	784142118	YATKKMSWNSEVBX-LLVKDONJSA-N	403.344	5.374	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2cnc(-c3ccc(Cl)cc3)s2)c2ncc[nH]2)c1	789142292	KJZYIWCIQWSYKM-XDHOZWIPSA-N	421.909	5.619	30	20	HKED	
Cc1cccc(Oc2ccccc2C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c1	799555706	CWKIGFVLWPQAJV-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	806182756	BIQAVBSUORVRSQ-NRFANRHFSA-N	412.493	5.087	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2c(F)cccc2Cl)cs1	809158934	FTQXLXXJMMILSF-DHZHZOJOSA-N	414.889	5.825	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(N2CCOCC2)cc1	810198040	FSBFYBBYYFSPIR-LUAWRHEFSA-N	420.490	5.056	30	20	HKED	
COc1ccc(CNc2cccc3oc(C(F)(F)F)nc23)cc1OCCCC#N	864008842	HUTPJALYYHFJAN-UHFFFAOYSA-N	405.376	5.150	30	20	HKED	
COc1cc(C=NNc2ncccc2C(F)(F)F)c(-c2ccccc2)cc1OC	915271207	NZBDXIJJIIFUCS-UHFFFAOYSA-N	401.388	5.231	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc(Br)c1O	916128961	LYNXPNLPYYDROI-VOTSOKGWSA-N	413.214	5.051	30	20	HKED	
Cc1sc2ncn(N=Cc3ccccc3OC(C)C)c(=O)c2c1-c1ccccc1	916283763	RPZPDXXNROJSNW-UHFFFAOYSA-N	403.507	5.103	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1	916628260	OLCLOVSYRHFLAA-GFXOSMMKSA-N	408.866	5.082	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccc(Oc2ccccc2)c(F)c1	916709407	QLXJUKYXSAZODW-INIZCTEOSA-N	405.429	5.403	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996669	NPLSXVWPLGTEHP-MRXNPFEDSA-N	401.318	5.926	30	20	HKED	
CCCCS[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	918489379	KUSZGAOWOOALEZ-SMDDNHRTSA-N	413.395	6.215	30	20	HKED	
CC(C)(C)N(N=Cc1ccc(OCC#N)cc1)C(=S)Nc1cccc(Cl)c1	920385613	UTXJBPNBUBDDCQ-UHFFFAOYSA-N	400.935	5.074	30	20	HKED	
C[C@H](Cc1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	921130780	CQEHLPNRVVCVKS-UTKZUKDTSA-N	416.452	5.144	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)NC(C)C)c3)n2)cc1	41511063	LZFIPVFAVMCZCW-IBGZPJMESA-N	418.522	5.139	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	55039435	FMIDCVTUVKGYAA-OAHLLOKOSA-N	417.490	5.173	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1	60958974	IRNZQRQXXGPAFZ-KRWDZBQOSA-N	421.338	5.751	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1	61001791	TUAJGPBYPBHOQR-LJQANCHMSA-N	418.512	5.423	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(\S)Nc2ccc3c(c2)CCC3)cc1	63440759	NNHHHYJXDNRKDY-UHFFFAOYSA-O	415.582	5.466	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C/c1ccccc1C#N	105332869	LOMQFGZLKIJOSJ-WUKNDPDISA-N	418.500	5.083	30	20	HKED	
Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2)cs1	195633862	BMKWDQURVXFQRS-UHFFFAOYSA-N	414.490	5.671	30	20	HKED	
CN(CCCC1(C#N)CCOCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	410370489	HNMWLIFAQMTGKF-UHFFFAOYSA-N	419.447	5.429	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	433393729	GZRKURCODXBXBH-XBLGPDGASA-N	422.516	5.057	30	20	HKED	
CCSCc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	434622591	GJRQXGDLQIEQSO-LJQANCHMSA-N	408.548	5.562	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](COCc2ccccc2)C1	438078252	MYMYCNWDSUPTAR-QUCCMNQESA-N	409.555	5.009	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1F	438658587	BRSNINDNEDKNNF-MRXNPFEDSA-N	422.485	5.358	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)Nc1ccc(F)cc1C#N	438843179	QYHLXRPGBDCZFR-UHFFFAOYSA-N	411.502	5.008	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(CCN(C)C)CC1)c1ccc(C(F)(F)F)cc1	442277434	BDYOWJOUIMKGQF-FQEVSTJZSA-N	411.512	5.086	30	20	HKED	
COCc1nc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c(-c2ccccc2)s1	442551154	ROWNFGKCOWQGJT-CQSZACIVSA-N	411.552	5.201	30	20	HKED	
C[C@@H](NCC1CCC(C#N)CC1)c1ccc(Br)cc1Br	442877480	UPJMOPAQVVLEOP-PNESKVBLSA-N	400.158	5.192	30	20	HKED	
C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccc(Br)cc1	460368770	JDEGXCKLHOBEOK-IBGZPJMESA-N	424.346	5.020	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1cccs1	460372463	BVWSYDFMVFDMAE-FUHWJXTLSA-N	412.534	5.536	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21	462151459	OHLDXGASFQUJHE-GOSISDBHSA-N	418.994	5.488	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1ccc(Br)s1	464933151	FWVZQVVIURUSED-QZTJIDSGSA-N	417.372	5.132	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1	464933387	GVRSSKQCTQALLS-AZUAARDMSA-N	407.926	5.375	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	466592063	XSZCNNKZNZDZSK-CYBMUJFWSA-N	407.461	5.587	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCCN(Cc4ccccc4)c4ccccc43)o2)c1	471163940	APJPUYNGMQECKV-UHFFFAOYSA-N	421.504	5.025	30	20	HKED	
CCC1(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCCC1	473367423	GNADFRHKULKYKZ-FQEVSTJZSA-N	423.944	5.021	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(OC)c(OCC)c(OC)c1	475564504	UAJJTNNQINMUPS-UHFFFAOYSA-N	412.530	5.276	30	20	HKED	
COc1ccc(-n2c(SCCCC(C)(C)C#N)nnc2-c2ccccc2OC)cc1	475927181	DUPWNVOTLCSYSX-UHFFFAOYSA-N	422.554	5.374	30	20	HKED	
CCS[C@@H]1CCCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	480325539	DIJQYSCDWGRALM-HXUWFJFHSA-N	410.608	5.598	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccnn3C3CCCC3)cc2Cl)c1	481512919	XONMRPYUAUODEI-UHFFFAOYSA-N	420.900	5.355	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nccc2ccccc12	483200725	LUPXJKDQUPDCKC-MRXNPFEDSA-N	407.260	5.217	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1cnc2ccccc2n1	483206787	WSOOHFQPMKCYFM-FQEVSTJZSA-N	418.431	5.474	30	20	HKED	
COc1cccc(Cn2ccc3ccc(NC(=O)N(C)Cc4ccc(C#N)cc4)cc32)c1	484115153	RSDKZEVXZJOAJP-UHFFFAOYSA-N	424.504	5.234	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(-c4cccs4)no3)o2)cc1	489799161	CSGNCWQYOSTQHE-GFCCVEGCSA-N	412.496	5.266	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	490746068	NEKOJFREBDYONC-HNNXBMFYSA-N	423.416	5.247	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1Cl	494197472	FTGWZQGSPIAVOR-SJLPKXTDSA-N	403.860	5.695	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1	498721370	KUCJRISMQGKQQK-IEBWSBKVSA-N	418.006	5.010	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Br)s1	504837747	WZRGZRMRJGQFPR-UHFFFAOYSA-N	405.770	5.123	30	20	HKED	
N#Cc1ccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	505449020	JAMMYCIWOPFXTJ-HNNXBMFYSA-N	413.289	5.234	30	20	HKED	
COc1ccc(CN2CCc3sccc3[C@H]2c2cccs2)cc1OCCCC#N	506126638	VBOHAFOSGSTRDC-QHCPKHFHSA-N	424.591	5.648	30	20	HKED	
C[C@@H](Cc1cccc(O)c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	506279167	JFFYXCDFOVBBHA-KSFYIVLOSA-N	419.912	5.454	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3sccc3[C@@H]2C)cc1	508253807	VFZCSSSVJPGVHJ-HNNXBMFYSA-N	419.506	5.572	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)Nc3sc(C)c(C)c3C#N)oc2c1	512373855	AHCXEFXTVIRCDJ-UHFFFAOYSA-N	402.475	5.911	30	20	HKED	
Cc1c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)sc2ccc(C#N)cc12	512616095	BDLIANOHLMOXHN-WOJBJXKFSA-N	406.507	5.016	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OCC(F)(F)F	513215373	XEAVBTXMDQTZAV-UHFFFAOYSA-N	421.378	5.290	30	20	HKED	
CCN(CC)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1ccsc1	513225295	CIOUYDIMPHDGLC-HSZRJFAPSA-N	403.551	5.100	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	513871342	PARMEKXOCFPNHJ-UHFFFAOYSA-N	415.468	5.496	30	20	HKED	
N#CCc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1	515663758	MCFRGPFBRGSEHZ-QHCPKHFHSA-N	424.331	5.377	30	20	HKED	
Cc1ccc2c(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)coc2c1	517848070	IAARNZFXFHNGSB-XMMPIXPASA-N	410.473	5.244	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1noc2ccccc12	519432858	DBXQJLMFWGMKID-UHFFFAOYSA-N	405.401	5.034	30	20	HKED	
Cc1cccc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)oc12	520836843	ARVRZVQDLWWVHG-UHFFFAOYSA-N	404.413	6.018	30	20	HKED	
COc1ccccc1CCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	520936738	HUINGEJTYUNCSS-UHFFFAOYSA-N	401.466	5.066	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)s2)o1	521016281	XTNMWFGMDYGIMN-AWEZNQCLSA-N	406.294	5.321	30	20	HKED	
COc1ccccc1C(C)(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	524389098	PNJFBYWXRVMLLK-UHFFFAOYSA-N	414.505	5.371	30	20	HKED	
Cn1cc(Cl)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524405951	VTFKFTRBSHNWMY-UHFFFAOYSA-N	400.265	5.035	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	524827198	OXWPJMXNBBELQC-QHCPKHFHSA-N	400.482	5.751	30	20	HKED	
CCCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F	524834311	HRNLKKBKERUAMO-VWLOTQADSA-N	419.475	5.192	30	20	HKED	
COc1cccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2Cl)c1	525522085	OJSPFSLWSAAOQC-DEOSSOPVSA-N	404.897	5.059	30	20	HKED	
C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nnc(-c2ccccc2)o1	532689489	MZEUTIZKGPLPKS-AWEZNQCLSA-N	414.490	5.605	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(C#N)c(Cl)c1	533674324	ZUVZDLDKCAVMLI-UHFFFAOYSA-N	414.292	5.506	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1	533887230	CSHUKJWKJREKMH-DOTOQJQBSA-N	416.616	5.347	30	20	HKED	
C=C[C@H](CC(=O)NCc1ccc(Oc2ccccc2OCC)nc1)c1ccccc1	534625386	ZZUYDZNWHUSMAW-HXUWFJFHSA-N	402.494	5.249	30	20	HKED	
C=CCC[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(C(F)(F)F)cc1	534848869	WOCNNEUAOLDXJI-HOTGVXAUSA-N	410.461	5.451	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@@H](CCC#N)c2ccccc2)CCC3)cc1	537946293	YETXIAPPGBOHTI-LEWJYISDSA-N	403.551	5.831	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(OCc2ccncc2)cc1	539756404	QXLAMKNIEUIOCN-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542107512	UTIHALBTSLHIFG-ZWKOTPCHSA-N	419.550	5.009	30	20	HKED	
COc1cc([C@@H](C)Nc2ncc(Cl)c(C)c2C#N)ccc1OCc1ccncc1	542207769	YEGSKAKOEVROJZ-OAHLLOKOSA-N	408.889	5.071	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(C#N)cc3OC(F)F)s2)cc1	544485394	AJXVUZKJMMTQDF-CQSZACIVSA-N	413.493	5.751	30	20	HKED	
N#Cc1cnc(C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)c(Cl)c1	557389639	OMSLGCOXHOITIJ-BBRMVZONSA-N	416.706	5.056	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc(C#N)ccc1Cl	560634380	MWVYEVOVIQXIAP-UHFFFAOYSA-N	424.287	5.678	30	20	HKED	
CC(C)CN(C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(C#N)cc1	567904669	HKWJQBWNLZBHRD-NRFANRHFSA-N	404.558	5.054	30	20	HKED	
COc1ccc(C)cc1CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	603532757	QKSMVOAUOBOFLS-UHFFFAOYSA-N	402.469	5.099	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)cn2)c1	603831134	MIMABYFPFQXUHK-OAQYLSRUSA-N	418.884	5.768	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cc2)cc1	604458564	FNWHOVXQPGVTIY-UHFFFAOYSA-N	407.433	5.136	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1	608991590	IYXMEGYOQHUOQS-UHFFFAOYSA-N	415.459	5.230	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc4ncccc4c3)cc2Cl)c1	609062371	NHLCQWDBXIINLV-UHFFFAOYSA-N	413.864	5.591	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3cc(F)ccc3F)cc2F)c1	609104211	BBAZQUZUCRIHID-UHFFFAOYSA-N	410.395	5.126	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1Cl	609371161	IPLQCVJEOYPRLL-GOSISDBHSA-N	419.893	5.964	30	20	HKED	
N#C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1cccc(Cl)c1Cl	609414357	JYKJRVNZXYNFJT-AWEZNQCLSA-N	406.269	5.251	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	609642951	PATUQMXYFBLXNO-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1	609646067	AUWHUDSMOUBTFL-HXUWFJFHSA-N	413.546	5.108	30	20	HKED	
CCc1nc([C@H](C)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cs1	609724981	XOBLLNVFQZCNAK-ZDUSSCGKSA-N	411.914	5.514	30	20	HKED	
C[C@](CO)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	610507283	MYBCZEHXVVKYPO-XUZZJYLKSA-N	419.912	5.025	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1OCC	613290992	QOUUEIYOXJYODO-SFHVURJKSA-N	422.912	5.956	30	20	HKED	
C=CCN(C(=O)CSc1cccc(C(F)(F)F)c1)c1nc2c(s1)CCCC2	623331716	KOTMVFMYXSANHC-UHFFFAOYSA-N	412.502	5.352	30	20	HKED	
C=CCC[C@H](C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1	681649475	SCNFGSPKIDSSHB-ZOBUZTSGSA-N	407.398	5.762	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C	726754959	WZKQDKXKJJGXGZ-IBGZPJMESA-N	401.510	5.021	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F	726858529	OHNZBHFQBSGLFB-PXNSSMCTSA-N	416.452	5.459	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cnn2ccccc12	730149451	XHDOKQAOEVASSK-KTKRTIGZSA-N	424.323	5.425	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(F)c(Cl)nc3Cl)cc2)c1	731331355	CWLWYGLBQHWDSU-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	731973402	UEOGFMJKYPQFML-UHFFFAOYSA-N	415.449	5.366	30	20	HKED	
C[C@H](C#N)CNC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1	732112176	RPKHYKZKXDSWCH-SDLXJUDFSA-N	402.519	5.144	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)c1	732709020	XOZHRLKPEGRJBK-QGZVFWFLSA-N	410.926	5.948	30	20	HKED	
O=C(Nc1cccc(C=NNc2nccnc2Cl)c1)c1ccc(Cl)cc1Cl	733078293	ASVGTJZBXKILJS-UHFFFAOYSA-N	420.687	5.135	30	20	HKED	
N#CCCn1cc(CNc2ccc(OC3CCCCC3)cc2)c(-c2ccccc2)n1	734847809	VSLICCZRINPYAT-UHFFFAOYSA-N	400.526	5.787	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C\C(=O)c2c(Cl)nc3ccccn23)c1	737446446	SPMLEJLWSBKBHC-QXMHVHEDSA-N	413.864	5.334	30	20	HKED	
COc1ccc(/C=C(/Cl)c2ncc(-c3ccccc3Br)o2)cc1C#N	741843177	ODQUOAWOCKDTMP-CXUHLZMHSA-N	415.674	5.721	30	20	HKED	
Cc1cc(F)cc2c(N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)c(C#N)cnc12	742407041	YZWARYNLSKIDSJ-HSZRJFAPSA-N	409.892	5.157	30	20	HKED	
O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1c[nH]c2cc(Br)ccc12	743056542	YAEKEPDEIIUDNA-BAQGIRSFSA-N	420.266	5.409	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	744062628	TZIPRCFYIIYNAI-DNVCBOLYSA-N	403.482	5.266	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(F)nc2)ccc1Oc1ccc(C(F)(F)F)cc1	744370399	LLKPUGPTAVADLT-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)c1ccccc1-c1ccccc1	748036788	QZEGDYBXNIHBLL-IBGZPJMESA-N	424.504	5.122	30	20	HKED	
N#C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1cccc(Br)c1	749372863	BVUAGUHKHCAJKM-ZDUSSCGKSA-N	405.704	5.312	30	20	HKED	
CCSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1	755607331	YABLBERKAQHRPC-ZROIWOOFSA-N	422.575	6.144	30	20	HKED	
C[C@@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@@H](c2ccsc2)O1	759754169	FGEYPPPPMPNAKT-QRWLVFNGSA-N	423.563	5.020	30	20	HKED	
N#CCSc1ccccc1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1	759997299	AAODZNXUGCJDLN-UHFFFAOYSA-N	413.955	5.052	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2OCC#N)c1	760801288	NYBSRXBFBWJGFP-UHFFFAOYSA-N	417.868	5.008	30	20	HKED	
C=CC[C@H](c1ccncc1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	761265837	DFSURAKRGYYEAZ-MOPGFXCFSA-N	416.308	5.174	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)c1ccncc1	762296205	JXJGTNSADRKGPA-FQEVSTJZSA-N	403.448	5.307	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(C2OCCO2)c1)c1ccc(C(F)(F)F)cc1	765052834	WWANWOBPSALYCJ-LJQANCHMSA-N	405.416	5.188	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1	766793319	IRJCZPPJBARVTB-FMIVXFBMSA-N	414.248	5.062	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)C1CCCCC1	767041971	INYRPVRKXCTLCD-INIZCTEOSA-N	402.560	5.027	30	20	HKED	
CN(C)c1ccc(C2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)cc1	768003130	GAJUTVMAXKCWDK-UHFFFAOYSA-N	414.553	5.031	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCSc3ccc(Cl)cc32)ccc1OC	772986059	NHMXTNRUZLJKAM-HKUYNNGSSA-N	416.974	5.746	30	20	HKED	
C#CCCCCC(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1	773635481	OORWVHIGVBIXDZ-UHFFFAOYSA-N	424.444	5.083	30	20	HKED	
N#Cc1cccc(COC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1F	774943582	ZZOCVUXZZQZBMM-UHFFFAOYSA-N	414.845	5.022	30	20	HKED	
C[C@@H](NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OCC#N)cc1	776156595	LTTYTBGSQROAKF-MRXNPFEDSA-N	418.368	5.211	30	20	HKED	
N#CC1(c2ccc(C(=O)O[C@@H](c3cccnc3)c3cccc(C(F)(F)F)c3)cc2)CC1	777338057	XRSVBXVOEBXJQR-OAQYLSRUSA-N	422.406	5.602	30	20	HKED	
COc1ccc(OC)c(C=NOCc2cc(-c3c(OC)ccc4ccccc34)no2)c1	778024680	FSALHHVBIKWBAO-UHFFFAOYSA-N	418.449	5.071	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cc1C#N	778277480	IWHORSVOPOBGSG-INIZCTEOSA-N	424.476	5.067	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1	780153576	KKFZYJWDZWECMR-MRXNPFEDSA-N	414.490	5.144	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccnc(Oc2ccccc2Cl)c1	780582216	HYKBKTHKXQLWSH-CQSZACIVSA-N	408.845	5.462	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCO1	781770007	JXCPMMKLMPHCGG-MRRJBJDNSA-N	410.461	5.333	30	20	HKED	
COC(=O)[C@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1c(F)cccc1Cl	784068680	UCXIAXJITPGGDX-XMSQKQJNSA-N	408.860	5.461	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1F	789347834	JCHIGOBARWAPMH-GFCCVEGCSA-N	405.807	5.378	30	20	HKED	
C=CCOc1ccc(CN(C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1Cl	789768960	JHHZAHIBZCZMPF-MRXNPFEDSA-N	400.906	5.054	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)Nc1ccccc1S[C@H](C)CC#N	793469429	UHKVJCJOGSZKAK-SNVBAGLBSA-N	413.540	5.342	30	20	HKED	
C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	796671584	LGBFDPBJABGYRX-XXBNENTESA-N	412.489	5.631	30	20	HKED	
Cc1cccc(Oc2ccccc2C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c1	799556752	PCBAEVJJRDUWQE-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
Cc1sc2nc(/C(Cl)=C/c3cccc(F)c3C#N)nc(O)c2c1-c1ccccc1	811688115	UWAFHVLEKWHQQT-YBEGLDIGSA-N	421.884	6.120	30	20	HKED	
Cc1ccccc1[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1cccs1	815929764	UPEJWNZUMXSNIJ-KRWDZBQOSA-N	402.397	5.288	30	20	HKED	
O=[N+]([O-])c1ccc(C=NOCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)o1	822280727	BAJBFBAUFDLNQB-UHFFFAOYSA-N	422.828	5.245	30	20	HKED	
CCOCCOc1ccc(Cl)cc1NCc1cc(C#N)ccc1Br	864010614	GVZRXGYVXDTGCB-UHFFFAOYSA-N	409.711	5.002	30	20	HKED	
CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)[C@@H](C)c1ccc(C#N)cc1	914509465	LVOHGFZTIDMHRS-VIFPVBQESA-N	417.123	5.790	30	20	HKED	
C/C=C\c1ccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OC)c1	915179465	FSKNZEACNSGRMM-PFNHISAGSA-N	412.489	5.401	30	20	HKED	
C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(OCc2cccnc2)cc1	915271469	WQDOQKBUCDIGRY-KPQXCZDLSA-N	411.845	5.108	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916975799	FRJUVAIFCDOAKK-SFHVURJKSA-N	414.889	5.638	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997255	ULQMUTMYHKRFAM-INIZCTEOSA-N	415.345	6.271	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2cc3c(cc12)CCC3)c1nc2cc(Cl)ccc2s1	917046099	FIHAHEKKSTZVGR-KRWDZBQOSA-N	406.894	5.604	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C)Cc2cc(Cl)cc(Cl)c2)c1=S	917476921	FFELIYSSMSHFQW-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)s1	918712356	JYNJJDAXSFUAMX-AATRIKPKSA-N	409.410	5.485	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2ccc(C)s2)cc1OC	921007197	ITEDJYWASCXZBZ-FMIVXFBMSA-N	423.534	5.465	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Cc3c(Cl)cccc3C2=O)cs1	921263266	ANWKEFAQWRSGPN-LCYFTJDESA-N	412.873	5.443	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc2nc(O)n(CC(C)(C)C)c12	1360228116	LGHGSHOFDVOZAC-HNNXBMFYSA-N	422.554	5.292	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCCC(F)(F)F)cc2)CCC1	1786621147	KISAULLXZYQUPR-UHFFFAOYSA-N	418.406	5.065	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cccc(C)c5[nH]4)cc3)CCC2)C1	1789253837	WRDURSKDPCGXTF-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C2	1798590898	COHLKWKBUBEHOH-DVWBAYGPSA-N	416.993	5.074	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C2	1798593600	VMOGNCCEVINPCN-HRMJIJJXSA-N	402.623	5.079	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(OC)cc1	5319613	LFILOTOKMMVJQO-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
CC(C)Cn1c(SC[C@@H](C#N)CCC#N)nnc1-c1ccc(Cl)cc1Cl	15244654	AOQYEFXKNSWONF-CYBMUJFWSA-N	408.358	5.444	30	20	HKED	
O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccccc1	15247972	ABEFZOKBGWSKCL-UHFFFAOYSA-O	402.326	5.332	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccoc1C	21140638	MJRTZSQVQDJZNG-INIZCTEOSA-N	418.522	5.305	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(N(C)C)cc2)c(C)c1	22729545	VSPDBLHAAPBDNG-UHFFFAOYSA-O	424.615	5.078	30	20	HKED	
COc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1OC	60739862	JFCPSHQDTJJUND-LJQANCHMSA-N	406.869	5.265	30	20	HKED	
C=CCN(C(=O)CCc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	60916044	VQPDDPULUQTHIA-UHFFFAOYSA-N	411.458	5.009	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1	62386168	GAGZHKLSVRWJRZ-UHFFFAOYSA-N	413.949	5.085	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1	111020641	BEFXUHQMNLFCFS-UHFFFAOYSA-N	423.900	5.273	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(N(C)CC(=O)Nc3c(Cl)cccc3Cl)c2c1	301539215	RQDHWBWCURFYNF-UHFFFAOYSA-N	413.308	5.105	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccccc1C(F)(F)F	303293420	BHJQFWSGPFUONU-HNNXBMFYSA-N	421.488	5.170	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)CO1	304074770	UXQPSYSSPSUCQF-CLOONOSVSA-N	412.489	5.261	30	20	HKED	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	429442888	CGRKDFBBELNDPG-QFIPXVFZSA-N	415.493	5.156	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1	429845633	BGDNVDQDDLVRLF-MRXNPFEDSA-N	405.548	5.284	30	20	HKED	
N#CCCC[C@H](NCc1c(-c2ccc(Cl)cc2)nc2sccn12)c1ccccc1	433010572	COJJHDXDHQNSQZ-FQEVSTJZSA-N	420.969	6.241	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)s1	438031780	ZRPSKZAPMFWJCB-MRXNPFEDSA-N	420.538	5.903	30	20	HKED	
C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438668097	ZOAUOWARKSDPQX-MRXNPFEDSA-N	419.456	5.338	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	439491415	KETNIHPUVBCTRK-BMZZKGLRSA-N	419.525	5.144	30	20	HKED	
C[C@@H](Sc1ccccc1C#N)C(=O)Nc1cccc(CSc2ccccn2)c1	439708032	LFGCASMTERYOFG-MRXNPFEDSA-N	405.548	5.365	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)c1ccc(C#N)cc1	439940940	MIRROQGPEQUNLF-CQSZACIVSA-N	411.914	5.151	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)Cc1nnc(-c2cccc(C#N)c2)o1	441227640	IVHZSCQLQPXGQF-UHFFFAOYSA-N	401.297	5.326	30	20	HKED	
Cc1ccccc1-c1nnc(S[C@@H](C)c2cccc(C#N)c2)n1Cc1ccco1	442913278	NKXXIJUNRNAHCQ-KRWDZBQOSA-N	400.507	5.620	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	443873295	CIHYUORWZHPJQH-NIDLKEISSA-N	420.553	5.644	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1F	444427812	AWVBFJMFVFTDJS-LBPRGKRZSA-N	415.255	5.546	30	20	HKED	
N#Cc1cc(NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)ccc1[N+](=O)[O-]	463659853	ZWSNTPMWZRZKLK-UHFFFAOYSA-N	414.343	5.285	30	20	HKED	
Cc1cc(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	464509942	JCTPGGLSDHTLDT-KRWDZBQOSA-N	422.307	5.243	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1	464935591	HFYFRNRFTHRYBN-VXKWHMMOSA-N	415.562	5.268	30	20	HKED	
N#CCc1ccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1	467446151	DBWREBLDFZQHBE-UHFFFAOYSA-N	424.426	5.401	30	20	HKED	
CCN(CC)CCSCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	468437067	IUVNYMPUKKCFJI-FQEVSTJZSA-N	415.990	5.009	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C[C@H](CC#N)c1ccccc1	475747016	BLUDTQCDDJJHAJ-BEFAXECRSA-N	423.969	6.037	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C[C@@H](CC#N)c3ccccc3)s2)cc1	475781888	PELSVEOJJUQGFA-DYESRHJHSA-N	403.551	5.692	30	20	HKED	
COCCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	477708641	ATZXZWOFGXSSRL-UHFFFAOYSA-N	415.493	5.074	30	20	HKED	
C=C(C)[C@H](N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)c(F)c1	481601218	CIUTVZHPUPTCAM-VOJFVSQTSA-N	424.278	6.290	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)c1	482976966	FUDCTUBBVRLMEI-UHFFFAOYSA-N	424.859	5.141	30	20	HKED	
CSc1cc2c(cc1NC(=O)c1cccc(Oc3ccc(C#N)cc3)c1)OCCO2	483521165	BVLNTKFJGXERJZ-UHFFFAOYSA-N	418.474	5.096	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)NCc2ccc(C#N)c(F)c2)cc1OC	484094008	NSHAXNDEFBNERZ-QHCPKHFHSA-N	404.485	5.097	30	20	HKED	
CC(C)(C)N(Cc1cccc(F)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	484302263	PRJXLIPAIGQNDV-UHFFFAOYSA-N	403.457	5.326	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	485332541	HIYSIQRXIZNWLV-DLBZAZTESA-N	401.514	5.584	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCc3ccsc3)s2)c(C(F)(F)F)c1	487419752	UBQIFVDWCVWROY-UHFFFAOYSA-N	421.469	5.257	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1	487622866	ZQXARCJPHBVCIE-RUZDIDTESA-N	409.489	5.302	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc2ccc(=O)n(C)c2c1	488378268	JPMOSMXRKXKMJM-UHFFFAOYSA-N	424.460	5.155	30	20	HKED	
Cn1cc(CN2CCc3sccc3[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	491961264	SGKQWHDKIJBOQB-QHCPKHFHSA-N	416.575	5.229	30	20	HKED	
CC1=C(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1	496382714	WDJZLRUOAIBVOX-UHFFFAOYSA-N	420.460	5.198	30	20	HKED	
Cc1cc(C)cc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	504032834	DNISLVOGCXUCIS-HXUWFJFHSA-N	413.521	5.831	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1	505317833	ABPGGDWFUZACCD-OAQYLSRUSA-N	410.395	5.279	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	505444641	SDURCMBTVLEDAT-ZDUSSCGKSA-N	422.724	6.016	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1c(Cl)cccc1Cl	505526721	PKGCBWBSOOWRNV-IBGZPJMESA-N	424.287	5.240	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C#N)C1CCCCC1	506524327	IWMZZVWIZGUCKT-KRWDZBQOSA-N	415.946	5.165	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	507903652	RESYYNYZBOXHCR-AOMKIAJQSA-N	411.461	5.197	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1cnc(C)s1	508915703	YKLMWEKZDINRFV-INIZCTEOSA-N	419.554	5.159	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2ccccc2Cl)cc1	511017985	YPYLNDDPIFIVMY-UHFFFAOYSA-N	411.933	5.208	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1)c1ccc(F)c(F)c1	511869459	XJJRQWCYEGLOFT-IAGOWNOFSA-N	402.407	5.346	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@]2(CC=CCC2)C1	512524244	RYTGMWFHFBTIPX-VWLOTQADSA-N	401.510	6.013	30	20	HKED	
CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	513684506	GWJYNACVDAFXHC-GBXCKJPGSA-N	406.526	5.111	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	515202414	HLJKBUAXAFWZAX-UHFFFAOYSA-N	422.916	5.022	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)cc1	517507993	COYSKVUPQSYBQQ-UHFFFAOYSA-N	424.504	5.262	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Br)s1	520857940	FSXIUEJWCVRYOH-LBPRGKRZSA-N	424.389	5.426	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)nc2ccccc21	521288210	QBKOHSBVAQYDQQ-GOSISDBHSA-N	419.843	5.648	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCOc1ccc(Cl)cc1	521810943	LEQFWZMKDBJESS-MRXNPFEDSA-N	417.962	5.667	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	524831090	JCZVLOIAZLMOTQ-DEOSSOPVSA-N	414.509	6.059	30	20	HKED	
Cn1cc(Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2)cn1	532030025	HEPGZDDQTKERML-UHFFFAOYSA-N	409.449	5.080	30	20	HKED	
C=C[C@@H](CC(=O)NCc1ccc(Oc2ccccc2OCC)nc1)c1ccccc1	534625385	ZZUYDZNWHUSMAW-FQEVSTJZSA-N	402.494	5.249	30	20	HKED	
CCCN(C(=O)c1cccc(CC#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	537454946	MJZRFOAZAQRPED-DEOSSOPVSA-N	401.485	5.237	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(Br)c4ccccc34)o2)c1	540193973	GUOHBPZVFOUMDK-UHFFFAOYSA-N	405.255	5.136	30	20	HKED	
C=CCCOCCCCC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1	540498117	PLEITNSJKMZWJZ-QGZVFWFLSA-N	406.954	5.056	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(Cc4ccccc4)c3)n2)cc1	541017027	PVGZSFBUWPHLBV-NRFANRHFSA-N	413.502	5.159	30	20	HKED	
CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1	543897052	MLHJCVTZYWLVLU-PUZWTLIVSA-N	405.542	5.179	30	20	HKED	
Cc1ccccc1CN(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	555601229	KBDIXYOHCLPNNH-UHFFFAOYSA-N	409.411	5.123	30	20	HKED	
N#Cc1cc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)nc2ccccc12	561840145	RTNUFOBOFMDSNL-UHFFFAOYSA-N	408.339	5.033	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1	563497867	IUBSNZQKOZRULQ-UHFFFAOYSA-N	416.387	5.465	30	20	HKED	
Cc1ccccc1CN(Cc1cccnc1)Cc1cn(CCC#N)nc1-c1ccccc1	563572971	XNDBTOINQDATNF-UHFFFAOYSA-N	421.548	5.370	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1	570368093	UHVTZIYJCKBYKD-UHFFFAOYSA-N	405.498	5.547	30	20	HKED	
N#Cc1cc(Cl)ccc1CNc1cccc(CS(=O)(=O)C2CCCCC2)c1	573299851	DXJKPHHCRZYMNI-UHFFFAOYSA-N	402.947	5.071	30	20	HKED	
CCCCC1CCC(C(=O)Nc2ccc(CNCc3nc(C#N)cs3)cc2)CC1	573767228	QGIJFLHIONNJBU-UHFFFAOYSA-N	410.587	5.240	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NCC1(C#N)CC1	575738576	PPWKMDRQAKYNHM-UHFFFAOYSA-N	405.477	5.157	30	20	HKED	
COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)c(C#N)c2Cl)c1	602757150	FXIDRWBKAZBWJV-OAQYLSRUSA-N	407.832	5.130	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCc2cccnc2)cc1Cl	603758960	QKUPMTDQHMTECJ-HXUWFJFHSA-N	407.926	5.262	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1	606770966	FRVFWKGAHIETEF-UHFFFAOYSA-N	416.399	5.794	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606986992	YDLBNAVEBOQDJG-CQSZACIVSA-N	420.376	5.326	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSCc1ccc(F)cc1	609061985	OXXMVQGYPMCBKN-UHFFFAOYSA-N	420.509	5.457	30	20	HKED	
C[C@H](OCCCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1	609514391	VIRDYYHIDSTKOS-FQEVSTJZSA-N	414.505	5.443	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1	609712772	NELKUOAJTXVPPO-WMZOPIPTSA-N	412.534	5.010	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610015462	IEPUJCAWIOVSFF-AZUAARDMSA-N	412.493	5.464	30	20	HKED	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610224215	JMBRAXKNAPKMHL-NYHFZMIOSA-N	420.944	5.163	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCSCc1ccc(C#N)cc1Br	611496361	HNEALUDTLVOTNX-UHFFFAOYSA-N	417.372	5.590	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C	615517492	AYLKXZCVABESQM-UHFFFAOYSA-N	423.532	5.226	30	20	HKED	
FC(F)(F)COc1cccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	618447881	FTFONICOLUWYKV-TXEJJXNPSA-N	409.292	5.190	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@@H](C)c1cccc(C#N)c1	619551805	DYZBDBSLNWINRE-NSHDSACASA-N	400.265	5.320	30	20	HKED	
Cc1cccn2cc(COc3ccc(CNCc4ccc(C#N)c(Cl)c4)cc3)nc12	619748938	SYNKLXZOPUTDII-UHFFFAOYSA-N	416.912	5.037	30	20	HKED	
C[C@]1(C#N)CCCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2ccccc2)C1	619819082	DAVWAMLKYWIZDE-HHHXNRCGSA-N	421.548	5.200	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1	662025064	PLVKPVURBACSES-MSOLQXFVSA-N	420.582	5.052	30	20	HKED	
Fc1cc(Br)cnc1NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	681377478	JCKWKGXELQHWGM-BQBZGAKWSA-N	409.143	5.305	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nccc2ccccc12	682995314	SVMDKFBDWMHJFD-INIZCTEOSA-N	405.429	5.786	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)cc1	727589197	MWENWEMMTNVMMI-RUZDIDTESA-N	406.489	5.410	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1	727655290	VEFDLVFJQYHORZ-KHPPLWFESA-N	411.552	5.152	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCC[C@H]1c1ccccc1C(F)(F)F	728122520	RBBYBKWVAUCVGY-INIZCTEOSA-N	420.328	6.232	30	20	HKED	
Fc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(Cl)cc3)n2)cc1	730548477	GMHCWCCHUAKEDD-UHFFFAOYSA-N	415.906	5.032	30	20	HKED	
C#CCOc1cccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c1	731111296	MILYMTFSQNNERI-UHFFFAOYSA-N	411.914	5.106	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br	731332258	HHZODSIOAWYYPH-NSHDSACASA-N	420.288	5.004	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(OC(F)F)c(Cl)c2)cc1	731490135	RSZGSRABZLBLCP-KRXBUXKQSA-N	418.827	5.150	30	20	HKED	
Cc1oc(-c2cccs2)nc1COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	732402489	SHLVVGHJFIDOKF-UHFFFAOYSA-N	417.446	5.128	30	20	HKED	
COc1ccc2[nH]cc(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2c1	733621327	JNXDDFZPYDYWKO-XMMPIXPASA-N	424.504	5.196	30	20	HKED	
O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCC(O)CC2)cc1	734235731	VFDJNZZZJMBMQG-KRXBUXKQSA-N	409.835	5.216	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2C[C@H](c3ccccc3)C[C@@H]2C)c1=S	734477607	RSWGUELLLXCRAA-SIKLNZKXSA-N	404.583	5.026	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@H]2c2ccccc2)cc1	734644993	XPHCYKCIVFKNLJ-ZEQRLZLVSA-N	413.546	5.664	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1	735567325	MBPZOXXVZIQIOL-BJKOFHAPSA-N	413.546	5.664	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCS[C@H](c3ccccc3)C2)cc1	735567328	MBPZOXXVZIQIOL-ZEQRLZLVSA-N	413.546	5.664	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	741111259	JAEUGVSOQBBBQV-DNVCBOLYSA-N	408.548	5.484	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C	741636678	QGQQAAGJSSUYNG-UHFFFAOYSA-N	400.862	5.175	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Nc2cccc(OCC#N)c2)cc1	743102230	DWRQTJJGHVBNOE-GOSISDBHSA-N	415.493	5.489	30	20	HKED	
CC(C)(C)CC(=O)N1CCC(=NNc2nc3cc(C(F)(F)F)ccc3s2)CC1	743444818	WOMNTGMIJPBMDJ-UHFFFAOYSA-N	412.481	5.142	30	20	HKED	
COc1cc(Br)c(/C=C\C(=O)c2cc(Cl)sc2Cl)cc1O	744869258	SWRGGFBKCDIPBH-IHWYPQMZSA-N	408.100	5.428	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2cccc(C)c2C)ccc1OC	745819984	QUXYCJSWLLNPSD-IFMALSPDSA-N	421.541	5.040	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)c1	745820111	HJRMOUDKAHICED-QFIPXVFZSA-N	421.541	5.118	30	20	HKED	
CC(C)(C)c1nc(C#N)c(NN=C(CCSc2ccccn2)c2ccc(F)cc2)o1	746680387	VCUOWBXNMALJID-UHFFFAOYSA-N	423.517	5.376	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)/C=C/c2ccc(C)cc2)cc1	751280174	CSRQITGTBKRFKC-BUHFOSPRSA-N	420.490	5.080	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	752183729	GYAQTPTXBVVHNA-CZAAIQMYSA-N	405.523	5.037	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](CC)c1ccc(OC)cc1	752478125	YQKWTBZSQFTXPY-KNQAVFIVSA-N	406.526	5.051	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNCc2cc(Cl)cc(Cl)c2OC(F)F)cc1	756900490	WKGANBRFTFENCU-NSHDSACASA-N	401.240	5.175	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C2/CCc3c(Cl)sc(Cl)c3C2=O)cs1	760263632	FZISSKVXLDKAJO-TWGQIWQCSA-N	401.340	5.097	30	20	HKED	
COc1ccc(COCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	760970654	WABZHJRPUFPMEY-KRWDZBQOSA-N	414.914	5.132	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1c[nH]c2ncccc12	761817307	KNRKQPOJBPXZOO-VOTSOKGWSA-N	410.296	5.345	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3c(Cl)cc(F)cc3Cl)c2)s1	761936522	FJNDHXIXXMQICF-UHFFFAOYSA-N	405.281	5.663	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)n1	764782708	IHXBJIFGWHJAKW-AUUYWEPGSA-N	419.953	5.462	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1=S	764948773	RUCRBTHAIZUEAT-JOCHJYFZSA-N	417.582	5.162	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OCc2cccnc2)c1	766492324	WASRSUPOOYNGAI-UITAMQMPSA-N	424.840	5.127	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2cccc(F)c2)o1)c1ccc(C(F)(F)F)cc1	775552225	GPZLJMIDJBXWTK-GOSISDBHSA-N	405.395	5.692	30	20	HKED	
CC(=NNc1nc2cc(Cl)ccc2cc1C)c1sc(-c2cccnc2)nc1C	778550280	AOFFHCSGBOMRLW-UHFFFAOYSA-N	407.930	5.860	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	780169996	WEXOTZOYTUSTIW-HNNXBMFYSA-N	417.852	5.547	30	20	HKED	
CCOc1c(Cl)cccc1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O	782149473	DPNVPTZSVLASED-UHFFFAOYSA-N	423.925	5.368	30	20	HKED	
CC(C)(C#N)CCCOC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1	784201805	SFFQDKLMCZFGPZ-UHFFFAOYSA-N	416.547	5.009	30	20	HKED	
CCN(CC)c1ccc2cc(C(=O)/C=C\c3ncc(C(F)(F)F)s3)c(=O)oc2c1	788353474	VUZVPOWITGERSA-FPLPWBNLSA-N	422.428	5.011	30	20	HKED	
COc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	793033001	STUBKBOKBWPEFV-KRWDZBQOSA-N	409.486	5.068	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797568315	PXZLTPDNXVQPHQ-HNNXBMFYSA-N	412.946	5.137	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CN(c1ccc(C(C)C)cc1)C2	798019209	RHTVONUCOWNHRM-CPJSRVTESA-N	419.569	5.433	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)OCCCC1(C#N)CCOCC1	800225058	JLMNOSIOEAQVEW-UHFFFAOYSA-N	423.296	5.214	30	20	HKED	
N#CCCCCCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	808424310	YOVIXDVTSOUPOK-UHFFFAOYSA-N	404.297	5.658	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(Cc2noc(C[C@H](CC#N)c3ccccc3)n2)cc1	809432654	NBJVIDJWBAGUNI-IBGZPJMESA-N	418.497	5.247	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1	809925684	OVYZRISZHMUIAV-KRWDZBQOSA-N	400.313	5.174	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nc(-c2ccccc2)cs1	810534279	METWTLHLUUIHSC-IAGOWNOFSA-N	407.926	5.166	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc(C(F)(F)F)cc(Cl)n3)n2)c1	810712025	XIEKJRNRRSKJSU-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1NC(=O)OC(C)(C)C	813215335	WZKYRVBVBPDDNI-OAHLLOKOSA-N	419.403	5.246	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c(C)nc2c1	915087905	XXUNOVONKVHQHG-XMMPIXPASA-N	407.473	5.460	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353201	RKQXQNBNJYTTIZ-HXUWFJFHSA-N	409.942	6.111	30	20	HKED	
Cc1ccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)coc2c1	916654059	VBJIJKRAGXPACB-SFHVURJKSA-N	406.894	5.937	30	20	HKED	
N#Cc1ccc(CSCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	916976129	KRZLMSLIAGBZBP-GOSISDBHSA-N	423.950	5.445	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@](C)(OC)C1	1507859514	YEZRLOCBXZOZRS-QFIPXVFZSA-N	402.970	5.000	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1	1787333383	LFFKYXOXKQQJBU-UHFFFAOYSA-N	423.582	5.276	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C3(F)CCCCC3)cc2)CCC1	1789161661	DOKXEHPSINXGPS-UHFFFAOYSA-N	408.464	5.004	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1	1791588430	NPZONBKMGZMEMK-UHFFFAOYSA-N	402.416	5.029	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCCCC(C)(C)C)CC2)C1	1831574073	GKMLZIJVUKAPSR-QHCPKHFHSA-N	416.650	5.569	30	20	HKED	
CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3-c3ccccc3C#N)sc2c1	21197222	YJALOGHSXNTGNG-UHFFFAOYSA-N	412.474	5.046	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1c(C)cc(C)c(C(C)=O)c1C	32787412	NRKVFYRCMXCZOV-UHFFFAOYSA-N	405.567	5.475	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl)C1CCCCC1	57396454	MTDMERFGSCCTFT-UHFFFAOYSA-N	401.938	5.157	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(OCc2cccs2)c1	62897730	JRXDFNTWSUEZEB-UHFFFAOYSA-N	408.479	5.064	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccc(C)cc2C)o1	62905564	TUPRIIPLLUPQGI-UHFFFAOYSA-N	400.478	5.176	30	20	HKED	
O/C(=N\c1ncn(Cc2ccccc2)n1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1	65736199	MAICZIBYCUDZCG-OAQYLSRUSA-N	418.884	5.388	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(Cl)cc1	105202919	BHOSXESFWCGXAL-AWEZNQCLSA-N	423.929	5.688	30	20	HKED	
C=CCN(C(=O)c1cc(C(C)C)nc2onc(C)c12)c1nc(-c2ccccc2)cs1	217947635	PHHXWOKUGBZNBC-UHFFFAOYSA-N	418.522	5.611	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2cccs2)nc1N1CCC[C@@H]1c1cccs1	302741352	CVKPQVFDXMGYRW-ZWKOTPCHSA-N	406.580	5.759	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)cc(C)cc1Br	431997635	IANHXJZZYINJQO-UHFFFAOYSA-N	400.320	5.382	30	20	HKED	
N#CCCC[C@@H](NCc1cccc(Br)c1OC(F)F)c1ccccc1	433020319	CCQCPXOMLTWQKO-QGZVFWFLSA-N	409.274	5.575	30	20	HKED	
Cc1cccc(Oc2ccccc2CNCc2cn(CCC#N)nc2-c2ccncc2)c1	433319520	OUKMJLSDCYITRY-UHFFFAOYSA-N	423.520	5.249	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1	436011952	RPYSEHCSXLZITO-JCNLHEQBSA-N	415.306	5.065	30	20	HKED	
CC(C)(C#N)CCCC[S@@](=O)Cc1cc(Br)ccc1OC(F)F	436103080	MVKZJBLILNGEGF-HSZRJFAPSA-N	408.308	5.019	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1	438851782	ZIJNSJSJVDQQKL-CVEARBPZSA-N	422.476	5.096	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c2ccccc21	444029320	BUAPJIPBRQAKCF-UHFFFAOYSA-N	401.485	5.404	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl	447317142	BOPZNUFVQQKIGT-UONOGXRCSA-N	422.381	5.534	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	464264304	IRLWYOVXKAORBP-KRWDZBQOSA-N	416.525	5.296	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1	464864437	MRRNHTVTYVQQDD-UHFFFAOYSA-N	411.461	5.260	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)NCc2ccc(C#N)cc2)C(C)C)cc1	465517912	CLLPTASCRRDYRL-UHFFFAOYSA-N	413.521	5.354	30	20	HKED	
COc1cc(C)ccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	467659930	QBVJHQRMBHHBQR-UHFFFAOYSA-N	402.519	5.098	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CC=C(c4ccccc4C(F)(F)F)CC3)on2)c1	468768356	BFUHLRZRXPXAKN-UHFFFAOYSA-N	423.394	5.162	30	20	HKED	
CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	469668370	BSXCSHAQGFCWBI-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
Cc1sc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1-c1ccc(F)cc1	473438858	WVYHEYGMLNXTNQ-UHFFFAOYSA-N	420.509	5.418	30	20	HKED	
N#CCCSc1ccccc1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473663331	RLCKJKYKEIWRDM-MRXNPFEDSA-N	406.338	5.217	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1	475543287	CGCGCLLAIRJJCP-LJQANCHMSA-N	407.558	5.195	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1	475579761	AMIJXHBPYXNVOD-UHFFFAOYSA-N	419.569	5.273	30	20	HKED	
C=C(C)[C@@H](NC(=O)CCCCC(=O)c1ccc(OC)cc1)c1ccc(F)c(F)c1	475679960	AZHGFGMONHXIBN-HSZRJFAPSA-N	401.453	5.150	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1	476130580	CNYXYDIQHHYQMN-UHFFFAOYSA-N	416.496	6.182	30	20	HKED	
N#Cc1ccc(F)c(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1	477630797	KRCSEBTVKGKITD-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc(F)c(F)c1	477737635	IMSQJUUWCBUHHC-HXUWFJFHSA-N	402.466	5.649	30	20	HKED	
C=C(C)[C@H](N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1	480673010	UHSMZQFMKVDFPY-RBZFPXEDSA-N	412.402	5.608	30	20	HKED	
CCCCn1ncc(NC(=O)c2occc2COc2cccc(C#N)c2)c1C(C)C	482731340	GADPWCBBSSCYCV-UHFFFAOYSA-N	406.486	5.103	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)sc2nccn12	484882456	SMHDEHDSZBMTRZ-UHFFFAOYSA-N	422.897	5.061	30	20	HKED	
Cc1cc(F)ccc1CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	486243649	KOASHPGTBUMWPI-UHFFFAOYSA-N	417.484	5.443	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	494198166	LHDQGRFULGSEIT-NRFANRHFSA-N	418.884	5.536	30	20	HKED	
Cc1csc(C2(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)CCCC2)n1	496113205	USIQJOJDKWRRLW-UHFFFAOYSA-N	417.534	5.102	30	20	HKED	
C=CCc1cc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc(OC)c1O	500165133	SNXSXYCJUUDFGR-UHFFFAOYSA-N	401.506	5.021	30	20	HKED	
Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1NC(=O)c1ccco1	500322586	CZCAADUSDPKSOL-UHFFFAOYSA-N	415.493	5.010	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2SCC)cc1	503250620	ZQCZNVCLCHAYKT-UHFFFAOYSA-N	404.923	5.404	30	20	HKED	
COc1ccc(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	510683109	POTNFGZNQNRHPP-UHFFFAOYSA-N	415.493	5.422	30	20	HKED	
C=CCOc1cccc(N[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)c1	513188976	TXFHIDYRLONMJF-XMMPIXPASA-N	402.494	5.442	30	20	HKED	
COc1cc(C#N)ccc1OCc1csc(-c2ccc(Br)cc2)n1	514846740	GQZZQLFPVNLMCS-UHFFFAOYSA-N	401.285	5.032	30	20	HKED	
CC(C)COC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	519228261	BXLLXADKNZBICA-UHFFFAOYSA-N	421.541	5.001	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1nc2cc(Cl)ccc2s1	521748530	VUCYRBGCSCVQOQ-LBPRGKRZSA-N	416.959	5.523	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(-c2ccccc2)cs1	522489109	KRAVPUXUBRBEKI-ZDUSSCGKSA-N	423.469	5.702	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1	522634078	KRCSAIGZVPLSAD-NRFANRHFSA-N	423.944	5.094	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cnc(-c4ccccn4)s3)c2C#N)C1	524086766	YGGOZQVNTDIKEU-CYBMUJFWSA-N	422.579	5.542	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)o2)cc1	524131766	LIBCWPSVWWTOHV-UHFFFAOYSA-N	406.869	5.188	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3[nH]c4ccccc4c3Cl)cc2F)c1	524496649	UHVNMELJMFOYBL-UHFFFAOYSA-N	419.843	5.663	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1	524673664	FDMJYJZZDPZTPN-JKSUJKDBSA-N	401.329	5.197	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F	525558209	AJLGESVHVYQRER-SFTDATJTSA-N	420.434	5.621	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1NC(=O)CC(C)C	525665926	WTKZNKUGVKDZEP-UHFFFAOYSA-N	405.542	5.150	30	20	HKED	
N#CCC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)CC1	526013287	WDBDJTOEPQAEPV-UHFFFAOYSA-N	423.727	6.205	30	20	HKED	
CC(C)(C)c1nn(CCCCOc2ccccc2C(F)(F)F)c(O)c1CCC#N	533912567	USJNAQLVZFICQD-UHFFFAOYSA-N	409.452	5.220	30	20	HKED	
CC[C@@](C)(C#N)NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	536073953	JWZCPMZPJOTVKP-LVJXIGIWSA-N	405.523	5.044	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3ccccc3)[C@H]3CCCc4ccccc43)o2)c1	538228174	PDHXUVYPAWLGKT-AZGAKELHSA-N	420.516	5.559	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1	538232148	QVFJYXLUGALJRN-RTBURBONSA-N	405.567	5.064	30	20	HKED	
N#CCC1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1	541046168	ADUGNAUDUJGFLS-UHFFFAOYSA-N	418.928	5.018	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1CCc1ccccc1	541735916	JULNNEZQYPOQMT-CTNGQTDRSA-N	407.583	6.100	30	20	HKED	
COc1ccc(-c2cnc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1	542016055	YJNRLHBKQZXCTC-GOSISDBHSA-N	409.489	5.740	30	20	HKED	
C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542020059	WERABWUBVAPKJJ-KRWDZBQOSA-N	424.460	5.639	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1	542085856	SEQVGBTVUZGNLV-QGZVFWFLSA-N	414.465	5.036	30	20	HKED	
COc1cc(NC(C)=O)ccc1[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543961408	IHPGSVKUOZCQMF-ROUUACIJSA-N	413.521	5.604	30	20	HKED	
N#CCCC[C@@H](N[C@@H]1CCc2c(Cl)cc(Br)cc21)c1ccccc1	550827939	STLPRCCZBQMTTH-WOJBJXKFSA-N	403.751	6.115	30	20	HKED	
Cc1cccc([C@@H]2CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)c1	553124598	PZAPHDGJFHGNSX-HXUWFJFHSA-N	421.972	5.143	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nccn2-c2ccccc2)nnc1-c1ccccc1OC	553378336	QGKVPAOHSMSUKV-KRWDZBQOSA-N	417.538	5.179	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccc(Cl)c2Oc2cccnc2)c1	554210450	HHYFIURNTNYOOA-UHFFFAOYSA-N	421.884	5.587	30	20	HKED	
C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	555268461	GQMKUNPFWSXYAM-QGZVFWFLSA-N	409.509	5.176	30	20	HKED	
N#Cc1ccc([N+](=O)[O-])c(N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1	557670498	CLGSWJSVUCAZMJ-IBGZPJMESA-N	405.376	5.065	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F	558362927	QCUIDDSLJXFCGK-UHFFFAOYSA-N	409.424	5.514	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(COC)CC1	558990233	PBDTUQLHOROUGR-IBGZPJMESA-N	420.557	5.010	30	20	HKED	
N#Cc1cccc(C2(c3nc(-c4ccnc(Oc5ccccc5Cl)c4)no3)CC2)c1	572329627	VPVPECWZJHDBJE-UHFFFAOYSA-N	414.852	5.529	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NC4(c5cccc(C#N)c5)CC4)cc3)o2)c1	573032476	RDZYRRDZRXQDQJ-UHFFFAOYSA-N	420.472	5.003	30	20	HKED	
C=CCn1c([C@H](C)CC)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1	574797528	FEJOPEGRTAVLJJ-OAHLLOKOSA-N	414.941	5.098	30	20	HKED	
CCOc1cc(Br)c(F)cc1NC(=O)C[C@H](CC#N)c1ccccc1	579658867	UZNYZNYGSDORGO-AWEZNQCLSA-N	405.267	5.013	30	20	HKED	
CC[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	579719300	TYXLMLFFEWFZBQ-HGHGUNKESA-N	423.944	5.019	30	20	HKED	
Cc1ccc(-c2nc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)sc2C)s1	590219139	ZCYDTJHXVCMMSN-UHFFFAOYSA-N	408.430	5.026	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCNC2CCCCC2)cc1Cl	603745883	XDCJNQZTPCIWIA-JOCHJYFZSA-N	424.976	5.429	30	20	HKED	
COc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	603759218	YIJVEPYSEBWMJW-KSFYIVLOSA-N	420.896	5.410	30	20	HKED	
C=CCn1c(SCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)nnc1C1CC1	607713521	NPYCHKPRPDOICX-UHFFFAOYSA-N	413.978	5.149	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	608785117	WUMNHKPFHBRNFS-UHFFFAOYSA-N	408.408	5.078	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2F)c1	609105610	BOWZQLVWDUASBX-UHFFFAOYSA-N	412.823	5.250	30	20	HKED	
N#Cc1ccsc1C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21	609455889	ZHVDECRXESJNJM-UHFFFAOYSA-N	407.539	5.122	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OC4CCCCC4)cc3)cc2)nc1	609695998	WFPJDJKFPIRXLY-UHFFFAOYSA-N	413.477	5.709	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	609989513	HHAMGZOVQFUHDX-PXAZEXFGSA-N	414.349	5.284	30	20	HKED	
CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610319648	DOVYDDNYGRYJGC-OAQYLSRUSA-N	400.482	5.231	30	20	HKED	
C[C@@H](NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cccc(C#N)c1	610362957	IBFNFLRZWNLSOH-IVZQSRNASA-N	408.473	5.547	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1SCc1nc(C)no1	637777340	RHMXHNFVCOICHB-UHFFFAOYSA-N	419.959	5.214	30	20	HKED	
FC(F)(F)c1cnc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)c1	642186740	VSNGTPCYYWLRNJ-QMSLJYSESA-N	414.699	6.075	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)oc2c1C(=O)CCC2	643118299	UVKDTVUWQKVZEK-CYBMUJFWSA-N	410.539	5.444	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1ccoc1C	645083747	QPJIEAZAMCJBEQ-UHFFFAOYSA-N	401.442	5.070	30	20	HKED	
Fc1ccc([C@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cnccn2)cc1	680337637	YVSDUBVZPYYIGD-SHFYGJNESA-N	421.360	5.204	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)N[C@H](C)c1cccs1	726487664	PZGBLKQDYDRQFM-GFCCVEGCSA-N	413.381	5.273	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4cc(Cl)ccc34)n2)cc1	727954971	XIIREAXTHZDJIQ-GOSISDBHSA-N	405.910	5.672	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cnc(-c4ccccc4)nc3)s2)cc1	727973921	BYYILAAAWUKBAR-MDWZMJQESA-N	413.502	5.480	30	20	HKED	
N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccccc2)cs1	728765767	QVAARLOJFHGSAL-IAGOWNOFSA-N	400.425	5.723	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	731400071	KXXWRYPJGXFVMD-KRWDZBQOSA-N	408.571	5.343	30	20	HKED	
CC(C)[C@H](CNC(=O)c1ccccc1SCC#N)Cc1ccc(Cl)cc1Cl	732662763	IJXUJZPEAPMBAW-INIZCTEOSA-N	421.393	5.854	30	20	HKED	
COc1cccc(-c2nc(CSCc3cc(Cl)ccc3OCC#N)cs2)c1	735319310	YSTXSCBAHXPBQP-UHFFFAOYSA-N	416.955	5.808	30	20	HKED	
CC(C)c1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	739160582	ULDHCZKWCMIJDJ-HTAPYJJXSA-N	413.546	6.175	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)cc1	741682065	VSDKLKGMADWLDF-UHFFFAOYSA-N	402.498	5.194	30	20	HKED	
CCOc1c(Cl)cc(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc1OC	741852771	RWELTOBYUBBPNF-JXMROGBWSA-N	421.884	5.009	30	20	HKED	
N#CCOc1ccccc1C(=O)N(CCSc1ccc(F)cc1)c1ccccc1	742008112	WTWYNWLGUUAZFD-UHFFFAOYSA-N	406.482	5.167	30	20	HKED	
N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12	742712283	GDVBIGQWNJTKCP-SFHVURJKSA-N	417.856	5.240	30	20	HKED	
C=CCc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)cc(OC)c1O	747061328	GTDFULWKFZICKN-VURMDHGXSA-N	406.450	5.349	30	20	HKED	
COc1cccc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2cc(F)ccc2OC)c1	747099742	JZTYNBVAZOOBIY-SSOJOUAXSA-N	420.484	5.013	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)C(=O)c3cccc(F)c3)n2)cc1	747108662	JEEOQCZQYWLAGW-BEFAXECRSA-N	406.482	5.343	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnc2ccccc12	749026405	VADNRHNMGZUGMD-AWEZNQCLSA-N	411.408	5.662	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C	750912138	CNBJXOQDBDSMTI-VZUCSPMQSA-N	409.417	5.256	30	20	HKED	
Fc1cccc(F)c1-c1nc(CON=Cc2cccc(OCc3ccncc3)c2)co1	752766741	SYTFTLRCYPCTPV-UHFFFAOYSA-N	421.403	5.145	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccccc3)s2)ccc1OC	756703357	BSHCXWXTWFLWEP-PXNSSMCTSA-N	406.551	5.955	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2OCC#N)c(C)c1	760792884	VBOOQFBBMHHCLR-UHFFFAOYSA-N	407.470	5.143	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1SC(F)(F)F)c1ccc(OC(F)(F)F)cc1	768139057	ACFIRMULGLEBAU-ZDUSSCGKSA-N	420.334	5.192	30	20	HKED	
O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(N2CCOCC2)cc1Cl	768842510	UAIDFHMZNXZEGA-DAFODLJHSA-N	416.955	5.258	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(F)cc2F)CCC1)c1nc2ccccc2n1C(F)F	777303827	HDUHRTXLBAYDCR-ZDUSSCGKSA-N	401.363	5.008	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCO1	781797530	OKVDDEUGQLCRAR-TYILLQQXSA-N	404.482	5.106	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)n1	782698882	BTKHUDXVXRYFAF-KRWDZBQOSA-N	412.280	5.030	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)NCCc1ccc(F)cc1	789219400	FCMMWESCMOJHAQ-UHFFFAOYSA-N	419.525	5.114	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nccc2ccccc12	792102899	IKVUEXPQGVFRHO-QGZVFWFLSA-N	401.318	5.651	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)Cc2csc3ccc(Br)cc23)n1	796749100	UQBSJHKQWVHRFM-AWEZNQCLSA-N	419.369	5.663	30	20	HKED	
CC(C)O[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	796805705	APVWKUYCIBGSIA-BTYIYWSLSA-N	412.461	5.431	30	20	HKED	
CN(C(=O)C[C@@H]1CCC(F)(F)C1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	798214225	DMSOAQPKOPWANW-IINYFYTJSA-N	403.313	5.593	30	20	HKED	
C[C@@H](CCOCc1ccccc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	806200421	CZUBVIKLYBSATC-NBGIEHNGSA-N	413.521	5.459	30	20	HKED	
CC(=NN[C@@H]1CCOC(C)(C)C1)c1sc(-c2ccc(Br)cc2)nc1C	814909052	WEUKICRWJPLWKV-MRXNPFEDSA-N	422.392	5.152	30	20	HKED	
O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N(O)Cc1ccc(F)cc1	901373178	UCRLIBKFMXTIEG-UHFFFAOYSA-N	413.264	5.147	30	20	HKED	
Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12	915087212	RKFZIDUPUWGXCF-OAQYLSRUSA-N	410.477	5.562	30	20	HKED	
CC[C@H](C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)S2)cc1	916232716	OARUEPOAGNYNCN-SCLBCKFNSA-N	415.946	5.101	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccc2ccccc2n1	916849691	ZORIGSAONJWWFN-QRVBRYPASA-N	409.514	5.771	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)c(Cl)c1	916884251	UXRLNJPRNFHBLX-GFCCVEGCSA-N	415.248	5.269	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1	917047283	WBSUQUOSRALOIL-OAHLLOKOSA-N	405.306	5.639	30	20	HKED	
CCOc1ccccc1C=NOCc1coc(-c2ccc(Br)cc2)n1	920486311	XMVPUOMKZWFVRH-UHFFFAOYSA-N	401.260	5.054	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(OC(C)C)c1	921254654	ABFUJWOASMJXAN-UHFFFAOYSA-N	403.507	5.103	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCc3ccsc3)cc2)CCC1	1788187563	UUVAYBUGCPOBEH-UHFFFAOYSA-N	418.509	5.026	30	20	HKED	
C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1	1790082566	GPDOSBURLHGEKB-OQIXSKIXSA-N	419.912	5.092	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826366115	NHXNCRAGKFVLFL-RUZDIDTESA-N	422.613	5.007	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1	1831376634	TWLUCRMAADJVCV-DVECYGJZSA-N	408.586	5.010	30	20	HKED	
COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2S[C@H](C)C#N)c1	5333913	SQUQMYYYHGZCAN-SVZNOHIVSA-N	405.523	5.208	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3Br)o2)cc1	7439574	CXASGRKWGLAAHQ-CQSZACIVSA-N	400.301	5.035	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c1	8989105	OBBFWPWESFQOTE-UHFFFAOYSA-N	416.937	5.811	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(CC)cc2)cc1	22729847	LSYYCXHIBJNIBZ-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)Cc3ccc(C#N)cc3)cc12	32615325	WGMYOTPUOCDLOF-UHFFFAOYSA-N	420.925	5.193	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	57778955	HFFXAETUUCUFCD-UHFFFAOYSA-N	413.477	5.664	30	20	HKED	
O=C(Nc1cccc(/C=C2\Cc3c(Cl)cccc3C2=O)c1)c1ccccc1Cl	60132823	KYDJVXYUOSXRNK-RVDMUPIBSA-N	408.284	6.068	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	61199255	DBSLDQITANBCEZ-UHFFFAOYSA-N	402.306	5.478	30	20	HKED	
CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	63641549	DYKDNJJEGNUELD-QGZVFWFLSA-N	413.477	5.301	30	20	HKED	
Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1SC[C@@H](C)C#N	303283833	KUJCSEOIGVBWKZ-INIZCTEOSA-N	422.579	5.163	30	20	HKED	
CC(C)[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1	303590316	HJJGZSHHZXHLGY-DEOSSOPVSA-N	424.504	5.141	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(F)cc2OC(F)F)c1	303980951	XPSRMVIOPLUYFT-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1Cl	323272881	GOAKSCYFIDPZSO-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2COCc2ccccc2)sc2ccc(C#N)cc12	429844222	XMGMNIWRMBSBQZ-UHFFFAOYSA-N	412.514	6.051	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccnc2OCc2ccccc2F)s1	430625040	KBJIJRSNLKYQDP-MRXNPFEDSA-N	409.486	5.044	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NCc1cn(CCC#N)nc1-c1ccncc1	435131610	RPQGNPHJUDRZQJ-UHFFFAOYSA-N	403.530	5.094	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1	439122781	JGALTOYEVNCWQK-UHFFFAOYSA-N	420.456	5.552	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1	442215843	QEWODORWRCOVHG-XDBZFTIUSA-N	410.461	5.272	30	20	HKED	
Cc1ccc(F)c(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	444844421	DGPKTXHMXSNUFG-UHFFFAOYSA-N	417.484	5.443	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	460462231	UAXXGTGOLWHRCC-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1	464409400	HGMRRYKZDRENNM-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1	464893194	IXFKFNMBXIFEFG-KKSFZXQISA-N	404.466	5.245	30	20	HKED	
C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	466403703	HINUZBRLZWOKDH-AWEZNQCLSA-N	419.884	5.216	30	20	HKED	
CC(C)c1ccc([C@H](C)CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469948408	PPULWMYOLIHESR-LJQANCHMSA-N	417.553	5.525	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)c2ccccc2Sc2ccccc2C#N)C1	469988381	CFESTXQMVVCNAJ-UHFFFAOYSA-N	408.567	5.423	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl	471285237	DVEYBMSXCRBBEW-UHFFFAOYSA-N	413.949	5.431	30	20	HKED	
C=CCN1CCC(NC(=O)N(CC)[C@@H](C)c2ccc(-c3cccc(OC)c3)cc2)CC1	471538455	DNGFPKXZTKKCCY-FQEVSTJZSA-N	421.585	5.105	30	20	HKED	
C=CCn1c(SCC(=O)C2(c3ccccc3)CC2)nnc1-c1cccc(Cl)c1	475868870	YUFQPCGHWCNUOC-UHFFFAOYSA-N	409.942	5.178	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F	475897186	HWEUGQIXSRSQMA-QHCPKHFHSA-N	419.475	5.413	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1	476085923	TYUNIZOPFPDDTF-UHFFFAOYSA-N	414.527	5.327	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1	476153114	OWALGEACFGMANW-UHFFFAOYSA-N	414.549	6.382	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccccc1	476704388	SLOIMWOUQKLLRH-AZUAARDMSA-N	419.525	5.530	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)OCC)c2cccc(Cl)c2)nnc1-c1ccoc1C	478514944	LVKJPOMYZVFBRN-QGZVFWFLSA-N	417.918	5.082	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(F)cc2Br)nnc1-c1ccncc1	481361297	AGIBLZFVBYSYMA-UHFFFAOYSA-N	419.323	5.110	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCc4cc(F)ccc43)cc2F)c1	481568625	KPRRJKPAFDWYNU-QFIPXVFZSA-N	419.431	5.224	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c2cc(Br)ccc2n1	483201919	SFJLFTGBYFDEJZ-IBGZPJMESA-N	416.278	5.344	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1	484525230	YFKOQGYVLUZIEH-LJQANCHMSA-N	421.928	5.852	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1Br	485234187	JHEUFDILFQISJF-PBHICJAKSA-N	418.722	5.406	30	20	HKED	
O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cc(F)c(F)c(F)c1F	485383330	PJKRLEPFJNNRKP-UHFFFAOYSA-N	424.297	5.046	30	20	HKED	
CC(C)c1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1	487047160	UMCSYRFANOCDTH-JTHBVZDNSA-N	413.525	5.299	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N	488780659	KOUZLNNEVCPJIH-ZDUSSCGKSA-N	407.461	5.523	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1c1nc(C)no1)c1ccc(C(F)(F)F)cc1	500096094	FUOMMXWZTAFQIX-QZTJIDSGSA-N	422.451	5.341	30	20	HKED	
Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501419119	FWAJCJWXSDRXSG-UHFFFAOYSA-N	409.489	5.303	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](Cn1ccccc1=O)c1ccccc1	504794200	OWOZGVOMXARZOI-HSZRJFAPSA-N	415.537	5.263	30	20	HKED	
COc1cccc([C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	505651764	MIYLFHPTRCVQRL-INIZCTEOSA-N	402.450	5.110	30	20	HKED	
CCOC(=O)c1c([C@H](C#N)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1C	505775838	FFAJQYQDNGEWAC-IBGZPJMESA-N	415.493	5.089	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)CC2)c1	505928663	RQBVLEUMUUWHJU-UHFFFAOYSA-N	414.440	5.012	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OC2CCCC2)CC1	506630469	BDOBMMUGUFZHFR-UHFFFAOYSA-N	419.525	5.615	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	506743395	LTHBLWXRXDZDTN-HNNXBMFYSA-N	405.498	5.038	30	20	HKED	
N#CCCCCNC(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	508163696	PXRYOWFCLVVRPD-UHFFFAOYSA-N	416.481	5.159	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	510339644	GBPCCMCQSKLIHA-LBPRGKRZSA-N	411.811	5.378	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(OC(C)C)nc1	510737934	SVRCOTHQOFSBAB-UHFFFAOYSA-N	416.481	5.163	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCc2ccccc2)nc1)c1nc2cc(Cl)ccc2s1	511698843	CXDDPVQIJYPHQM-KRWDZBQOSA-N	419.893	5.414	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1ccc(C(F)(F)F)cn1	513733866	XDWJARONLDTBAN-VIFPVBQESA-N	421.575	5.145	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	514147365	KTKMZWDFIZSFRG-LJQANCHMSA-N	414.509	5.427	30	20	HKED	
N#CCSc1ccccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1	514322349	KQWHVBRPDIMDDB-UHFFFAOYSA-N	415.927	5.341	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	517473683	JIPOQGCBZYJPPZ-GCJKJVERSA-N	423.582	6.096	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc(-c2ccncc2)cs1	518642017	JBCQBUFTVKIMAY-HNNXBMFYSA-N	422.922	5.472	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc2ccccc2[nH]1	520195729	JCMXBJOGYPRITP-QRWLVFNGSA-N	407.543	5.476	30	20	HKED	
N#CCCn1ccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)n1	524003014	MCJGXXWRFQNDIA-UHFFFAOYSA-N	420.469	5.227	30	20	HKED	
Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	524131568	ZGBBRANFSNHXFS-ZDUSSCGKSA-N	424.888	5.362	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1-c1ccccc1	531409668	ITLQUQPHHBLCEE-UHFFFAOYSA-N	421.456	5.679	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccnc3)Cc3ccco3)cc2)cc1	534208405	WOVBTIQDAVUESM-UHFFFAOYSA-N	424.460	5.573	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1)c1ccccc1	534679673	KTAKBANWKTZWFQ-SFHVURJKSA-N	406.526	5.512	30	20	HKED	
C=C[C@H](CC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1	534736718	WOYGUJUVXLVPCE-LJQANCHMSA-N	402.469	5.054	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cc1Cl	535582367	IVUSOPVVYCDEOV-UHFFFAOYSA-N	424.928	5.568	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1Cl	536186702	JDJBMYDCFBSJGY-LJQANCHMSA-N	424.287	5.240	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C	537665868	PHYULNNWAHAXAP-KRWDZBQOSA-N	414.534	5.154	30	20	HKED	
COc1ccc(C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2ccc(OC)cc2)cc1	538501734	BDXODPLYAUNNAU-SSOJOUAXSA-N	404.485	5.349	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3ccccc3Oc3ccccc3C#N)c2)n1	538676690	YCLBGTPLCHRCNU-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccncc1CC	540310465	HFZYVGHCLNDVAL-AWEZNQCLSA-N	420.326	5.004	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1	543288142	PZLJGCXKYVGBFU-OAHLLOKOSA-N	418.360	5.681	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc3c(c2)N(CC(F)F)CCS3)c1	551619209	DWAUWTRMZQHHSQ-UHFFFAOYSA-N	403.498	5.158	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SCCOCCC#N)n2Cc2ccccc2)cc1	554984426	WFFADCLBAXFIOC-UHFFFAOYSA-N	420.582	5.313	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	558181854	TXFYPHWFBQSYJI-FXAWDEMLSA-N	411.571	5.111	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F	574473843	LBISQUHJISBFSB-UHFFFAOYSA-N	405.420	5.949	30	20	HKED	
CCC(CC)[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1cccs1	604108052	MRZMFGIGXFBVDJ-QFIPXVFZSA-N	410.587	5.019	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc(-c2ccccc2Cl)s1	604517680	LDCUFUQPFUYXRW-UHFFFAOYSA-N	413.886	5.200	30	20	HKED	
C=CC[C@@H](C)NC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606930250	ZGKQAPKTASAOMT-DGCLKSJQSA-N	408.365	5.206	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1	608916252	SWLSAVXHINGMEE-UHFFFAOYSA-N	418.541	5.063	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1	608920233	FGRXFGKGEHYXRT-UHFFFAOYSA-N	418.472	5.005	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCOc1ccccc1	609061956	MPXVRGHMKYLGFT-UHFFFAOYSA-N	400.478	5.243	30	20	HKED	
Cc1ccsc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609080567	OGZSLHQEZTXSEO-UHFFFAOYSA-N	411.914	5.482	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)c2)cc1	609209062	VLHYFRXAEOQWMF-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccncc2)cc1	609209515	VLCBJAWRSSHOBQ-UHFFFAOYSA-N	414.509	5.222	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc2ccccc21	609263386	QUFMXJTXFNYULF-UHFFFAOYSA-N	409.424	5.100	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	609297309	FLBUVLRIHMKFHO-QFIPXVFZSA-N	408.473	5.328	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](c2ccccc2)O1	609306756	XWNDUQPOSNXAMW-OSPHWJPCSA-N	416.452	5.092	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	609438954	PIZRHFOTVKYXHO-YLJYHZDGSA-N	409.555	5.849	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	609755563	NAGWOFCRSPMDPB-VWLOTQADSA-N	411.505	5.053	30	20	HKED	
C[C@H]1SCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@H]1c1ccccc1	609819980	WSTPOEOXLRPFAG-UZUQRXQVSA-N	418.518	5.049	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)N[C@@H](C)c2cccc(C#N)c2)s1	610407567	ZNNNZTLPEWJWSN-IBGZPJMESA-N	403.551	5.444	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C	611556680	LSYCBTGRFSBQSV-WBVHZDCISA-N	417.431	5.854	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)N(C)C(=O)N[C@H](C)c1cccc(C#N)c1	613992529	KPOCHBWOPBHCPK-BEFAXECRSA-N	414.347	5.044	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1	615000236	HZLXYPVIAAINLS-UHFFFAOYSA-N	419.531	5.193	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1cc(CCc2ccccc2)[nH]n1	617273282	SUXSSJNUQKCEDG-INIZCTEOSA-N	405.527	5.091	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCOc3cccc(F)c3C2)cc1F	619789111	IKAGIIYHZDMXEY-UHFFFAOYSA-N	421.403	5.055	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc2ccccc2n1C(F)F	642282547	DPAYWQUGIPDOKZ-CQSZACIVSA-N	421.428	5.542	30	20	HKED	
N#C[C@@H](C(=O)c1cccc2cccc(Br)c12)c1ccc2ccccc2n1	671746227	XYZSWBJGOVBYMA-QGZVFWFLSA-N	401.263	5.641	30	20	HKED	
CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	682399694	BYPYQXSRKSTVBY-CQSZACIVSA-N	417.412	5.072	30	20	HKED	
CCN(C[C@@H](C)C#N)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S	726963647	KUDPHCRDWMQJGK-NSHDSACASA-N	415.560	5.171	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	727712464	YVRJMBTVOAZQKB-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)cc1OC	727764145	UEUHXYJGKNFPBO-HSZRJFAPSA-N	417.505	5.179	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(C3SCCCS3)cc2)cc1	731198005	CNVRWDDJCFEFEZ-FQEVSTJZSA-N	410.608	5.847	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	731288841	YPVNZVRZEGCIFT-GUDVDZBRSA-N	401.416	5.565	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(c2cccc(C)c2)C(=S)N[C@@H]1c1cscn1	731421820	CPMOFIGQAVAJTE-HXUWFJFHSA-N	423.538	5.027	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)CC1	732433191	DFSKMZCIIKMESD-UHFFFAOYSA-N	413.440	5.482	30	20	HKED	
Cc1ccc(-c2noc([C@H](C)SCc3cc(Cl)ccc3OCC#N)n2)cc1F	735319280	YBGPSTLXYYMJBE-ZDUSSCGKSA-N	417.893	5.734	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(N4CCCC4)c(F)c3)c2)s1	740443189	DPYNVHMYIQFCPY-UHFFFAOYSA-N	420.513	5.348	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(-c2nc(C)cs2)c1	740529441	OCZRDLUBEUSSEG-HXUWFJFHSA-N	417.534	5.205	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CC2	741849070	RSLJWOVQFASNCJ-LFIBNONCSA-N	422.481	5.188	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)c(-c2ccccc2)n1	747191935	PDRSNTLBQMQGFG-BQYQJAHWSA-N	402.306	5.728	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C[C@H](O)c1cccs1	752208338	ATWSYRLRBOMELO-IERDGZPVSA-N	421.522	5.354	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1OC(F)F	753395795	PQSWOQJORUXVOS-LLLGYDHXSA-N	420.415	5.192	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	760194508	CVFGUGRGOCHGPL-QGZVFWFLSA-N	423.463	5.605	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c1	761823179	CZMHGQRPMPYEPJ-UHFFFAOYSA-N	404.445	5.298	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1ccccn1)c1cc(Br)ccc1F	763123250	ZJHOFTLUSCVBIU-FLIBITNWSA-N	412.258	5.458	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NCc3cccnc3)n2)cc1	776078124	UKFWYWIGAJSZDB-OAQYLSRUSA-N	424.529	5.616	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3nccc(C)c3c2C)cc1	786316533	SUUBOOKURVSMIG-ACJLOTCBSA-N	405.523	5.388	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1	789719397	PHEFQLKYUYVNIN-UHFFFAOYSA-N	408.542	5.816	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)Nc1sc(-c2ccccc2)cc1C#N	796590364	ARNMJBZYUUXWFJ-UHFFFAOYSA-N	421.519	5.548	30	20	HKED	
CC(C)(COCc1ccccc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	799206495	JLJPPOCBEAASBF-XMMPIXPASA-N	413.521	5.459	30	20	HKED	
C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	799227188	YEISJDJCXLASAX-KRWDZBQOSA-N	422.598	5.318	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	802043405	ZTPFKLFESPBMJO-JPYJTQIMSA-N	418.537	5.319	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C	806287294	BOVGEXVFFXAKRV-UHFFFAOYSA-N	421.541	5.111	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1	806400885	LCCFRBPFIUCHJL-JPYJTQIMSA-N	415.493	5.288	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](Cc2ccccc2)c2ccc(OC)cc2)c1	810225385	CGVKUBYSQFXGQH-BVAGGSTKSA-N	400.522	5.450	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(C)n1[C@H](C)c1ccccc1	813218561	XMNOQWWJWDZBMX-FOIQADDNSA-N	411.427	5.618	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(Cl)cnc1Br	813371491	CHQYMCUWNNMHQK-UHFFFAOYSA-N	412.674	5.288	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NOCc2ccccc2)c1	839422049	SSVQMYFPPHGTFR-UHFFFAOYSA-N	413.477	5.107	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915085481	MULHMXXAYAVNLC-HHHXNRCGSA-N	413.480	6.133	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2c[nH]c3ccccc23)cs1)c1ccc(F)cc1F	915271729	XYRCLFNKRLCVLQ-VQHVLOKHSA-N	423.444	5.483	30	20	HKED	
COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3F)cc2OC)cc1	916136219	BYYVFBQUEXWFDE-UKTHLTGXSA-N	420.436	5.096	30	20	HKED	
Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	916997574	WUNNIDMZEIKXCF-MRXNPFEDSA-N	417.317	5.681	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C1CC1	917395201	DZYGOBGSQMGNOS-KXBFYZLASA-N	416.912	5.103	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)o1	917525989	ZRXXFQKQXZYXNK-UHFFFAOYSA-N	400.406	5.297	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3CCSCC3)CCC2)cc1	1786106036	LYODFCZAQRGJGL-UHFFFAOYSA-N	412.599	5.032	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccccc34)CCC2)cc1	1791248055	PROGKUCVPPXPKT-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824632827	XHFWJTZMLQJNRG-VQTJNVASSA-N	424.576	5.056	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccoc1C	6911460	HDMZGELLBFOMOY-UHFFFAOYSA-N	407.495	5.048	30	20	HKED	
CCCOc1c(Br)cc(C(=O)Nc2sc(C)c(C)c2C#N)cc1OC	20885964	NGKYCNFOJFCSIB-UHFFFAOYSA-N	423.332	5.049	30	20	HKED	
N#CCSc1ccccc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl	39563071	RLRAOUMOEFZSIC-UHFFFAOYSA-N	417.865	5.100	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(CCC(=O)Nc1sccc1C#N)C1CC1	54396474	RGEWMMGNATVNLO-ZDUSSCGKSA-N	407.461	5.193	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(SC(C)C)cc1	55327237	DGSFPAYMOWNQRH-UHFFFAOYSA-N	403.507	5.807	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)N[C@H](C)c1ccc2ccccc2c1	56199499	YIUZDGSJGRVFGY-MOPGFXCFSA-N	401.510	5.200	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(COc2ccccc2)cc1	63402575	MRWOCJGFGANIRP-UHFFFAOYSA-N	411.505	5.035	30	20	HKED	
C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1	71964522	IPDMZUIAGPQAGR-AWEZNQCLSA-N	404.401	5.031	30	20	HKED	
CCN(CC)[C@@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccccc1	111045272	IXPMIKPHOXLDKX-HSZRJFAPSA-N	414.509	5.076	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1OC	212320762	KMJYYQHORSGMRA-WZUFQYTHSA-N	402.450	5.099	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nc2sc(C)c(C)c2c1=O	253489347	DYLZAZMIDCQFPB-AWEZNQCLSA-N	424.551	5.164	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21	301766099	UFSPJPXJHXFZPJ-ZDUSSCGKSA-N	411.305	5.101	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1	303256074	DGECRAAHYJJZJN-UHFFFAOYSA-N	423.929	5.056	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1	410357212	YSSIKIIRAMFJHQ-UHFFFAOYSA-N	405.519	5.031	30	20	HKED	
C[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1	426185333	XOPXCASYBAUSHE-HNNXBMFYSA-N	424.932	5.170	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1F)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	430692683	UVTOKIYXUKFLHP-OAHLLOKOSA-N	421.312	5.077	30	20	HKED	
N#CCCC[C@@H](NCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1	433033543	FIXMTKFPGCKVNP-NOZRDPDXSA-N	407.533	5.198	30	20	HKED	
Cn1cc(C#N)cc1C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1	435482683	XQSYIEABKQKMJL-UHFFFAOYSA-N	414.515	5.131	30	20	HKED	
COc1ccc(-n2c(SCCCCC(C)(C)C#N)nnc2-c2ccccn2)cc1	436204683	BCFZKIWAXZOWQK-UHFFFAOYSA-N	407.543	5.150	30	20	HKED	
CC(C)(CO)[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccs1	436504797	OJAAYWQLAKCVNL-OAQYLSRUSA-N	421.522	5.293	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	437226457	HERGWBLALLQNCR-LLVKDONJSA-N	409.389	5.118	30	20	HKED	
C=CCC[C@H](NC(=O)C[C@@H](NC(C)=O)c1cccs1)c1ccc(C(F)(F)F)cc1	441540397	BQFNRBAODSXWIZ-ZWKOTPCHSA-N	424.488	5.158	30	20	HKED	
C=CCN(C(=O)c1ccc(C)c(C(C)=O)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	448101972	RYTOUQDDXDVQNW-UHFFFAOYSA-N	421.478	5.062	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Oc1ccc(F)cc1	463949016	QHVICDWVLLMNTN-MRXNPFEDSA-N	406.482	5.046	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c1	464422210	XZWUSOLZMUAGTG-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(F)(F)F	464577148	HZCXIQKHEFJPSC-QMMMGPOBSA-N	413.264	5.566	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2ccc(-c3cncnc3)cc2F)C(C)(C)C)cc1	467873280	XMVYTLPQYKJQFD-UHFFFAOYSA-N	419.500	5.288	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	467930062	OSSIGLFZKGFWPY-WFASDCNBSA-N	407.367	5.294	30	20	HKED	
CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	477508981	JOABCHBSKUNMFE-OAHLLOKOSA-N	403.448	6.122	30	20	HKED	
C=C(C)[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(F)c(F)c1	479415377	QOGULTDCMYJJBW-HXUWFJFHSA-N	400.450	5.224	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1	482910773	KHWVLPMQNZMOGA-UHFFFAOYSA-N	416.616	5.029	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1NC(=O)Nc1ccccc1	483243082	XULUVBPCBSRUNU-IBGZPJMESA-N	421.460	5.072	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1nc(CN2CCCCC2)cs1	483642372	GRSPSUTXRGNUAA-UHFFFAOYSA-N	418.522	5.045	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1)c1nc2c(s1)CCCC2	487084800	GUJIVCHDADIUIJ-MRXNPFEDSA-N	406.551	5.506	30	20	HKED	
Cc1nc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)[nH]c1-c1ccccc1	488298748	MRCJDNQCMSUNSP-UHFFFAOYSA-N	410.930	5.078	30	20	HKED	
C=C(C)CN(C)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	497614060	UOBNBYCQBZVBIN-ZDUSSCGKSA-N	408.365	5.160	30	20	HKED	
C=CCN(C(=O)c1cnc2c(cnn2CC(C)C)c1)c1nc(-c2ccccc2)cs1	498299810	SVZFMTOSULLEBA-UHFFFAOYSA-N	417.538	5.044	30	20	HKED	
C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CC=C(c2ccc(C#N)cc2)CC1	502534137	KGRIWBJVVWIXDK-MRXNPFEDSA-N	404.901	5.036	30	20	HKED	
C=CCn1c(SCCOc2ccc(Cl)cc2Cl)nnc1-c1cccnc1	503741712	XXGKRQQPOCPLFX-UHFFFAOYSA-N	407.326	5.004	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1	504585582	IDSFAKZBMXGLIL-UHFFFAOYSA-N	407.823	5.473	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc2)cs1	505803228	RPIYFVACTVWLKR-IBGZPJMESA-N	413.955	5.392	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1Cl	506708378	ZPMWFFSWOVMTIU-IBGZPJMESA-N	416.868	5.134	30	20	HKED	
N#C[C@H]1N(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CCC[C@@]12CCCCO2	509657652	LCPAWOVMMYRASD-CTNGQTDRSA-N	400.931	5.136	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1	510857311	PMPQLURUCMWHIF-UHFFFAOYSA-N	403.404	5.172	30	20	HKED	
CCN(C)C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1	512005300	GSABODVBNMLEEP-QGZVFWFLSA-N	423.582	5.115	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1	512444397	OHDSHEFSRNAMJC-INIZCTEOSA-N	400.906	5.528	30	20	HKED	
Cc1nnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1	514723737	XDLVGEMGDNVUCM-NSHDSACASA-N	423.304	5.277	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)o1	517800877	MSFBZZQNPPGIMS-OAHLLOKOSA-N	416.487	5.197	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccccc2)nc1	518240399	XQWIHCXFDPPONM-QGZVFWFLSA-N	403.507	5.307	30	20	HKED	
CC(C)(Cc1ccc(Br)cc1)NCc1cccc(OCCCC#N)c1	518275797	PZKYACJECKZTDG-UHFFFAOYSA-N	401.348	5.243	30	20	HKED	
Cc1ccccc1CN1CCC(NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	518754649	VEWLJORQWQXGOM-LJQANCHMSA-N	422.598	5.175	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCC(F)(F)F	520170095	ZZKQWRTTZNMIRF-UHFFFAOYSA-N	405.420	5.189	30	20	HKED	
Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	520536327	BFKXLYTZJXBIFV-XMMPIXPASA-N	423.472	5.224	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC(c1ccccc1)c1ccccc1	520855411	LWQASPAHVNQQAM-LJQANCHMSA-N	415.562	5.892	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1	520856692	NLVZECVLXKXCGW-LZNRXBQRSA-N	409.555	5.228	30	20	HKED	
C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	521114692	GALWYHGCSSJMEU-ZRCGQRJVSA-N	417.553	5.022	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCc4[nH]c5ccccc5c4C3)cc2)cc1	521165064	IWHFKXLSUIISPP-UHFFFAOYSA-N	407.473	5.225	30	20	HKED	
CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	521332508	HBATWWPUEMBJBP-WWDZGPRUSA-N	415.603	5.131	30	20	HKED	
N#CCCCOc1cccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1	521820430	VVJKGZASMBGRRB-QFIPXVFZSA-N	415.940	5.088	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)CC)cc1	522654998	ROBUNSCTKUTHEM-FQEVSTJZSA-N	405.542	5.333	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(O)nc2ccc(F)cc12	523103325	HXJGYXBFPJFCIW-UHFFFAOYSA-N	413.408	5.304	30	20	HKED	
COc1ccc(N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)C2CC2)cc1	524139420	FNYYPOQJCARRBK-QGZVFWFLSA-N	416.477	5.184	30	20	HKED	
C=CCN(C(=O)c1cnccc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	525625283	VIXYINGHVIDIRP-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
COc1cnccc1[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	525841974	AGKBFBVRGHATQS-QRWLVFNGSA-N	420.900	5.282	30	20	HKED	
N#CCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)CC1	530428710	SLRMIZOKRRCOFD-UHFFFAOYSA-N	403.309	5.338	30	20	HKED	
CCOc1ccc(N(C(=O)Cc2cccc(C#N)c2)c2nc3ccccc3s2)cc1	530677308	YZFPUAYRJDLFKF-UHFFFAOYSA-N	413.502	5.474	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1	533510626	KPSBTVPKIMIVSC-OALUTQOASA-N	404.539	5.230	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccccc1	533886896	CHBSSKUQPMZZTF-QGZVFWFLSA-N	404.489	5.109	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534137552	PNMMMOCPXSHTJC-UHFFFAOYSA-N	405.841	5.153	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1	534173564	JGPZQZWPNFUAEN-OPAMFIHVSA-N	402.881	5.056	30	20	HKED	
COC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)c(F)c1	536913759	FGZSDVZINBAJIY-JOCHJYFZSA-N	423.419	5.138	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(OCCCC#N)c1	537425996	OQNHGZUFZSSHQB-HNNXBMFYSA-N	405.420	5.217	30	20	HKED	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1	537654740	GJZPNBWIXWHDNY-QTEAWJPNSA-N	418.562	5.068	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nn1[C@@H](C)C1CC1	538555899	CLFZJTRGDMCQOJ-HNNXBMFYSA-N	404.445	5.218	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	540725508	MDVVOLZVTZDTTQ-GOSISDBHSA-N	412.555	5.259	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1	543594177	FZIGERKSWRVJNM-BPAFIMBUSA-N	413.518	5.119	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	544117100	JACYTMIHLWKULB-HMFYCAOWSA-N	423.582	5.111	30	20	HKED	
C=CCN(C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)C1CC1	544416389	YCKKJDQSDHMBPM-ZYKQFOSWSA-N	409.414	5.286	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C	546708801	IUSUVBIIDAMAOJ-MRXNPFEDSA-N	420.538	5.532	30	20	HKED	
COC(=O)c1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	547767908	LHYQQOZZIQDNLP-HNNXBMFYSA-N	409.301	5.024	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(Br)c2Cl)C2CC2)cc1	549385871	VNVUMOCEAJSXNX-UHFFFAOYSA-N	404.695	5.171	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2Cc3cccc(Cl)c3C2)cc1Cl	554133507	XHEMKCSNMNEDBC-LJQANCHMSA-N	422.315	6.197	30	20	HKED	
CN(C)C(=O)c1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1Cl	556337402	OIBQTXCGILRLBK-UHFFFAOYSA-N	419.912	5.105	30	20	HKED	
C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(OCc2cn3ccccc3n2)c1	556601352	KJJMBFGPBVFDKO-IBGZPJMESA-N	408.505	5.125	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	557084122	LGIMGIOLOAGTCJ-XMMPIXPASA-N	413.477	5.728	30	20	HKED	
CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1	560229684	DVKLMYLFJWBNAQ-AWEZNQCLSA-N	417.321	5.068	30	20	HKED	
N#C[C@@H](C(=O)c1cccc2cccc(Br)c12)c1nccc2ccccc12	560595778	ICQMAGHAPQHJMW-GOSISDBHSA-N	401.263	5.641	30	20	HKED	
C[C@@H](CC#N)N(C)c1nnc(-c2cc(Cl)ccc2Cl)n1Cc1ccccc1	562259918	UMVXPXIVCNZACD-AWEZNQCLSA-N	400.313	5.039	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)no1	563577550	QPLOUAUDLGPNMN-UHFFFAOYSA-N	406.461	5.025	30	20	HKED	
N#Cc1ccc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1[N+](=O)[O-]	579047383	BVMFRVUFDFDLHY-LJQANCHMSA-N	405.376	5.065	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)c1	589382220	MUOSAWUGEAOAEB-UHFFFAOYSA-N	415.415	5.407	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c(Cl)c1	589877073	OPIFRAPZMCTUFW-UHFFFAOYSA-N	409.141	5.092	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1coc(Br)c1	603532866	ARSXATMTHUMMCH-UHFFFAOYSA-N	413.246	5.208	30	20	HKED	
C=CCN(C(=O)c1cc(OC)ccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	604694815	CFWBARRYQMOGKB-UHFFFAOYSA-N	420.321	5.353	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OC1CCC1)c1nc(-c2ccc(Cl)cc2)cs1	605362487	HCYWHUAJWRQPDY-GOSISDBHSA-N	408.910	5.885	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2nc(C)cs2)cc1	609048644	VENKQGPEJPQBNV-AWEZNQCLSA-N	408.483	5.007	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)c1ccc(F)cc1	609078986	VHMRBSXOMPRGFF-SFHVURJKSA-N	417.484	5.510	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1Br	609399317	NECSDSLRRKCUEL-CYBMUJFWSA-N	404.333	5.023	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCSc2ccc(Cl)cc2)c1C	610053544	KUAJLWNUNDIXOS-UHFFFAOYSA-N	410.930	5.135	30	20	HKED	
COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	610105945	FCKLZFUGBWDJDW-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1C#N	610111857	OXUWICGUVLLUGE-UHFFFAOYSA-N	418.796	5.036	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	610122797	WEGWUFAWVBYURF-LLVKDONJSA-N	414.836	5.272	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(-c3ccncc3)s2)sc2c1-c1ccccc1CC2	610172293	MIHGLBCXHMSZBX-UHFFFAOYSA-N	414.515	5.156	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)Sc1ccccc1	610320101	QTQLDYOZPMGNPI-MRXNPFEDSA-N	404.495	5.048	30	20	HKED	
C[C@H](NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1cccc(C#N)c1	610360757	FPFSHVIZKAEVKS-OYHNWAKOSA-N	408.473	5.547	30	20	HKED	
COc1cc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F	610714941	SLLXTSDVBWRFJT-BRPSZJMVSA-N	404.282	5.064	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2ccccc2s1	612893489	QQKBYQJKTBUNSY-MRXNPFEDSA-N	411.511	6.063	30	20	HKED	
C=CCN(C(=O)c1ccnc(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	615925559	HNDCCDWERHNPDC-UHFFFAOYSA-N	405.310	5.048	30	20	HKED	
C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618449222	DKZLAZOOQVVVGW-MXWKQRLJSA-N	415.328	5.555	30	20	HKED	
CCOc1cccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1OC(F)F	678205816	AVLVBRWLVLBRDF-VXGBXAGGSA-N	421.328	5.249	30	20	HKED	
CC1(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC(F)(F)CC1	680267807	KVOMRGSKCDQTSN-UWVGGRQHSA-N	410.349	5.163	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2	682822476	OGTQHWYGTYVPER-UHFFFAOYSA-N	407.510	5.301	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2csc(-c3ccc(OC)cc3)n2)cc1	683724130	YMXMABFDZQQIOA-UHFFFAOYSA-N	419.550	5.245	30	20	HKED	
N#C[C@H](C(=O)CN1Cc2ccccc2-c2ccccc2C1)c1nc2ccccc2s1	726184021	ISPVSGVSNKSLJY-OAQYLSRUSA-N	409.514	5.155	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(OCc3ccccc3F)cc2)cc1Cl	726488496	YFSCBFVNCPGXJD-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(OC(=O)c3ccccc3SCC#N)c2)cc1	727642257	GVDRYTNMFIOQKT-UHFFFAOYSA-N	402.475	5.082	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3cccc(O[C@@H](C)C(=O)O)c3)s2)cc1	727653887	BBEXJIGGCIJDRY-YHVDPYDOSA-N	407.491	5.175	30	20	HKED	
Oc1nc2ccccc2cc1/C=N/Cc1ccccc1-c1ccc(Cn2ccnc2)cc1	728785739	PDRFGYXJQQCHTL-STBIYBPSSA-N	418.500	5.471	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(Cl)nc3Cl)cc2)c1	728826074	OROZBDQGKOXMBX-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NCc3ccc(N(C)CCC#N)cc3)cc2)c1	729685830	RGAVPPYKIVSBLJ-QFIPXVFZSA-N	413.565	5.775	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc2cc(F)ccc2s1	730417302	MEFFTIGBWIYDOO-KRWDZBQOSA-N	420.465	5.316	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	730686780	JSADFJVHLVVVMU-OTWHNJEPSA-N	423.299	5.598	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccccc2s1	731069093	HUCVYWSJQWUGPY-AWEZNQCLSA-N	410.520	5.091	30	20	HKED	
CC(C)c1ccsc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	731073288	GDVXHDHNZNXWJM-AWEZNQCLSA-N	402.541	5.061	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	731332847	STZILOIDOQUFSI-HNNXBMFYSA-N	411.527	5.680	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3ccccc3C)CCCCC2)ccc1OC	733231954	LKCVDHUTRZMVGV-NRFANRHFSA-N	420.553	5.203	30	20	HKED	
Cc1c(Cl)cccc1N=C1NN=C(c2cn(CCC#N)c3ccccc23)CS1	733808438	QAYZVMPZWJJTCV-UHFFFAOYSA-N	407.930	5.245	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccccc1)C1CCOCC1	734682027	HCLDIYCNYWMQED-FQEVSTJZSA-N	404.963	5.267	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)c1	735396507	PHUNJOKEHSKEFS-OAQYLSRUSA-N	404.416	5.210	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3ccc(C)c(C)c3C2=O)cs1	737444028	NELCJDMESAGOLM-MHWRWJLKSA-N	422.481	5.242	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(C)c(F)c(C)c2)cs1	741466984	IGUCMWBSSLQOBM-YFHOEESVSA-N	408.498	5.788	30	20	HKED	
COc1ccc(-c2nc(/C=C\C(=O)c3c(Cl)nc4sccn34)cs2)cc1	741845370	VIOYHSHCKJQDIT-DAXSKMNVSA-N	401.900	5.077	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1	745923631	RAQHDLXKMOKCOA-HNNXBMFYSA-N	402.926	5.229	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)s2)cc1OCCCC#N	747361354	LFBIMRLTUFBABU-LUAWRHEFSA-N	403.503	6.002	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)c1	750683514	GODWWDAROBOEKR-KBXCAEBGSA-N	423.925	5.025	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](c3ccccc3)[C@@H]2C)c1=S	751603212	AGZVPGFOJBHPMR-ICSRJNTNSA-N	420.582	5.111	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1ccc(SCC(F)(F)F)cc1	753144644	PFNJGIMREIPSHM-WAYWQWQTSA-N	406.454	5.756	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)nc2)cc(Br)c1OC(F)F	759082588	IILMMVPEWLLXQP-RQOWECAXSA-N	418.621	5.004	30	20	HKED	
N#C[C@H](C(=O)/C=C\SCc1ccco1)C(=O)Nc1ccccc1Oc1ccccc1	759833625	JQVFFFGJJOLQBT-LUQQZNFBSA-N	418.474	5.166	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	760795572	BXVRVGCIEZPKNG-UHFFFAOYSA-N	422.268	5.411	30	20	HKED	
Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1-c1ncco1	766138507	OTUZCKOZALPQCB-UHFFFAOYSA-N	414.490	5.572	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cc(Cl)c1O	771100377	XTFGLAUNEUBSMW-WRLNGNIRSA-N	420.864	5.037	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2cncc3ccccc23)cc1)Nc1ccccc1	772798412	VDEUMXVOQKTFMC-NTCAYCPXSA-N	408.457	5.148	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@H](O)c1ccccc1	775562278	MPOGQBRACWHFHU-LADGPHEKSA-N	415.493	5.293	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ccc(N(C)C)cc2)CC1	775609756	VIDOZFKEQWIGKF-SFHVURJKSA-N	422.598	5.416	30	20	HKED	
C/C(=C/c1ccc(C)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	779197617	YMGPTJMTBAOVRM-MHZRJXOASA-N	410.473	5.538	30	20	HKED	
Cc1cccn2cc(COc3ccc(CNc4ccccc4O[C@H](C)C#N)cc3)nc12	779993927	PBJKPJZRDDJOBM-LJQANCHMSA-N	412.493	5.125	30	20	HKED	
COc1cccc(NC(=O)/C(=C/c2ccc3cnccc3c2)C(=O)c2ccccc2)c1	782306518	MORQITKMISTUMR-BUVRLJJBSA-N	408.457	5.148	30	20	HKED	
C[C@@H](OC(=O)c1ccsc1NC(=O)c1ccccc1Cl)c1cccc(C#N)c1	783529771	IPWPWOYTUHYHFT-CYBMUJFWSA-N	410.882	5.443	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl	789718331	GNZAXANSPJDQNS-UHFFFAOYSA-N	407.945	5.997	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ncc(C(F)(F)F)s3)cc2F)c1	789747266	NFEHVHRLOHSKIJ-UHFFFAOYSA-N	407.392	5.364	30	20	HKED	
O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2cccs2)cc1	790550113	XYPINWZJEWYUAA-UHFFFAOYSA-N	414.408	5.009	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccccc1O[C@H](C)C#N	798214088	CRYABUBSNOIAMC-LLVKDONJSA-N	416.264	5.500	30	20	HKED	
O=C(Nc1cc(F)c(Br)cc1F)c1cc(F)c(C(F)(F)F)cc1F	808624704	TVWUMUVFLOHAEY-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
Brc1ccccc1NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1	812462525	OXPTVRIBTZHTOQ-UHFFFAOYSA-N	418.298	5.143	30	20	HKED	
CC(C)(CCc1noc(-c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1)[N+](=O)[O-]	812815582	QSGKHNCJKXYLNS-UHFFFAOYSA-N	412.833	5.042	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1Cl	813245365	RLFVUDXKENPIJC-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](O)c2ccc(Cl)cc2)cc1Cl	813410249	OANXTEJMNVMKMV-CTNGQTDRSA-N	411.288	5.321	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1	815907624	GEQRRLVZRKFWRD-KRWDZBQOSA-N	412.367	5.235	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1CN(C(=O)OC(C)(C)C)C1	816566737	DWOJIEUOQJPXES-MSOLQXFVSA-N	405.542	5.131	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(SCCN3CCCC3)cc2)c1	864031553	FNVGYZJCGNRJCJ-UHFFFAOYSA-N	416.388	5.121	30	20	HKED	
CC(C)n1ncc2cc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)cnc21	912958795	IFVNMSLPSVCJQL-UHFFFAOYSA-N	424.504	5.069	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCSc2ccc(F)cc2)cc1	915351704	BLHNJHZTPRMTDE-HSZRJFAPSA-N	419.525	5.785	30	20	HKED	
N#C[C@H](C(=O)CSc1cccc2cccc(Cl)c12)c1ccc2ccccc2n1	916849208	RHEZVWNUJUSKKD-KRWDZBQOSA-N	402.906	6.010	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3ccccc3)oc2C)cc1	916949021	ZVAGAMXJSFSVGX-MGPUTAFESA-N	401.466	5.125	30	20	HKED	
COc1ccc2c(ccn2CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916975951	GTRPSXGQEDDGCJ-SFHVURJKSA-N	421.909	5.303	30	20	HKED	
C=CCn1c(=S)n(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc21	918732838	NERANVVOGAUGQK-CHWSQXEVSA-N	423.426	5.378	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3ccc(C)cc3)CC2)cc1	919912002	ZKYPYVJECACHLD-UHFFFAOYSA-N	415.537	5.130	30	20	HKED	
N#C[C@@H](COC(=O)c1ccccc1SCc1cscn1)Cc1ccc(F)cc1	920876848	QTZGUQBRIDGBOP-INIZCTEOSA-N	412.511	5.114	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1	1791254474	QPNOJIBVGLMQES-QGZVFWFLSA-N	415.537	5.436	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccccc1Cl	8176449	ZSJLJOIQJQQZIH-OAHLLOKOSA-N	404.853	5.063	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CSc2ccc(C(F)(F)F)cn2)ccc1Cl	10348416	JBSJURPEBZZNMH-UHFFFAOYSA-N	413.852	5.101	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)n(C2CCCC2)c1C	27660711	VJQLUYRLKSQWGE-UHFFFAOYSA-N	419.554	5.213	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2ccccc2s1	41503053	ZBJAHMUJAWALLA-OAHLLOKOSA-N	403.488	5.100	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(C(F)(F)F)cn1	41555255	OGIDQTJPZSYBDI-SFHVURJKSA-N	414.358	5.309	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccccc3)c2)cc1	47570377	PDVUGDLZMNXYQV-VWLOTQADSA-N	411.505	5.701	30	20	HKED	
CCN(CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1	195732844	CZRVRBKVLJMAOG-QGZVFWFLSA-N	403.448	5.035	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(F)c3C)o2)ccc1OC	236896523	FPSNZKKVOOSZMO-GOSISDBHSA-N	408.473	5.374	30	20	HKED	
N#CCCn1cc(CNCc2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)n1	237832181	RMWHFIZTEBXPQT-UHFFFAOYSA-N	422.532	5.333	30	20	HKED	
C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	261477102	YCDGHLBCQYXWBK-HUUCEWRRSA-N	411.962	5.268	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	303429920	FMJXQCMNYBRCKX-DLBZAZTESA-N	405.281	5.220	30	20	HKED	
CCc1nc(C)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1	425949539	GCIPSXATJBSSTN-UHFFFAOYSA-N	410.861	5.185	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430611563	OOGQUCUMPNJRCY-AWEZNQCLSA-N	403.529	5.341	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)ccc21	430637928	DQLIGMMLXAQSQB-GOSISDBHSA-N	409.555	5.149	30	20	HKED	
C[C@@H](c1ccc(C#N)cc1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	430732068	YPTBTMIBAYOACB-BUXKBTBVSA-N	414.292	5.094	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1noc(-c2ccc(Cl)cc2)n1	431083381	YRRAAXXCCYHNSB-ZDUSSCGKSA-N	409.877	5.074	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	436349772	DRORPVYVPPZMIO-PBFPGSCMSA-N	403.910	5.408	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[C@@H]1c1ccccc1	437510260	ZFYFIIUWJJLWCQ-VGSWGCGISA-N	416.550	5.263	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	438655836	LUIAPFAGZDFMLL-UHFFFAOYSA-N	410.474	5.311	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	438935828	SZOHBRXGCQNZKB-UHFFFAOYSA-N	409.411	5.123	30	20	HKED	
Cc1c(C(=O)N[C@@H](CCC#N)c2ccccc2)nnn1-c1ccc(-c2ccccc2)cc1	439672797	KVFGZMXSNVNJSV-DEOSSOPVSA-N	421.504	5.018	30	20	HKED	
CCCc1c(NC(=O)C2(c3ccc(F)cc3F)CCC2)cnn1-c1cccc(C#N)c1	440088254	NPYXPIJIJCXIKV-UHFFFAOYSA-N	420.463	5.035	30	20	HKED	
COc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)s2)cc1	442670737	DVEVTILROHSAFM-AWEZNQCLSA-N	424.432	5.054	30	20	HKED	
Cc1noc(C2CC2)c1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	444828736	VZUWRILSMDGGML-UHFFFAOYSA-N	402.454	5.150	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccccc1	446366448	JRQGARKEQRGHKZ-DLBZAZTESA-N	413.802	5.427	30	20	HKED	
CC[C@H](NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(C#N)cc1	447546319	UXNVMXICGCEQLS-FQEVSTJZSA-N	411.427	6.005	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	461309726	PMDOBLKHAFHAHI-OPAMFIHVSA-N	404.441	5.093	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@H](C)c2ccsc2)CC1	462270769	VRQVVCALURYENH-IAGOWNOFSA-N	414.600	5.053	30	20	HKED	
Cc1sc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1-c1ccc(F)cc1	464396128	CZFIPSUCKNTBKQ-MRXNPFEDSA-N	404.388	5.767	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cc1	464444859	FJYCYMRYSPRQMS-GOSISDBHSA-N	410.498	5.430	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)c2)o1	464800523	WRLGYKHSEWZFES-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1F	468648088	NKDJFLKICOELDL-UPVQGACJSA-N	410.464	5.008	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)c2ccccc2)c1	471603766	IBMBTONVUVVZQC-UHFFFAOYSA-N	413.521	5.227	30	20	HKED	
CCOc1ccc(-n2c(SCCCC(C)(C)C#N)nnc2-c2ccncc2)cc1	476470827	KPIMTEVNDGARLS-UHFFFAOYSA-N	407.543	5.150	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)cc1OC	477903200	BXZABRUOTOFUIC-UHFFFAOYSA-N	402.661	5.178	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2Br)c1	478735265	AEIVBPUVYZGYIU-UHFFFAOYSA-N	408.683	5.429	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C	480046978	XQGHXYZKVZTKDD-HNNXBMFYSA-N	422.916	5.519	30	20	HKED	
N#Cc1cccc(OCCCSCCC(=O)Nc2ccccc2C(F)(F)F)c1	480379957	WVYVJDNODRGJPX-UHFFFAOYSA-N	408.445	5.108	30	20	HKED	
Cc1nc2ccccc2n1C1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)CC1	480829563	NTLDAUWDHNGUGP-UHFFFAOYSA-N	419.891	5.399	30	20	HKED	
CCCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCCc2cccnc21	481205404	NRRICUKDKPZFNS-SFHVURJKSA-N	402.420	5.294	30	20	HKED	
N#Cc1c(CSc2nnc(-c3cccs3)n2Cc2ccco2)cn2ccccc12	481343966	UBMSUSVWSYRKKK-UHFFFAOYSA-N	417.519	5.065	30	20	HKED	
CC(C)c1c(NC(=O)N(CCC#N)Cc2ccco2)cnn1-c1ccccc1Cl	485173409	UEUKMHHEHMNWKD-UHFFFAOYSA-N	411.893	5.190	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(Br)cc2)nnc1-c1cccnc1	487120714	VYAOOCIDRIQTST-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
Cc1cc(-c2noc([C@@H](C)Sc3nc(C(F)(F)F)ccc3C#N)n2)ccc1F	488770702	VKDQQNUIUWDZEW-SNVBAGLBSA-N	408.380	5.323	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nc(-c2ccc(Cl)cc2)no1	488783066	MVMKQUBWORBQJT-SECBINFHSA-N	410.808	5.529	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1C	488922073	SXKXCUGTJRENFS-UHFFFAOYSA-N	412.946	5.214	30	20	HKED	
CN(Cc1ccc(Br)c(F)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	494580491	PXCQTQFBHFABMY-UHFFFAOYSA-N	404.283	5.053	30	20	HKED	
C[C@@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)c1cccc(C#N)c1	497872056	BILDFNXBKKINGC-QRWLVFNGSA-N	416.443	5.059	30	20	HKED	
N#CCCn1cc(CNCC2(c3ccc(F)cc3Cl)CC2)c(-c2ccccc2)n1	498380500	IUQNHHYHPACCIG-UHFFFAOYSA-N	408.908	5.078	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(Cl)cc2)nnc1[C@@H]1COc2ccccc2O1	498732192	AVJVCJDTXAKBSH-LIRRHRJNSA-N	413.930	5.483	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cccc(SC)c2)cc1	502491956	CXPTWNVGCPFPGD-UHFFFAOYSA-N	405.479	5.725	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c1	502493956	WFJYYQYGGKZLBC-UHFFFAOYSA-N	413.384	5.001	30	20	HKED	
C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CC=C(c2ccc(C#N)cc2)CC1	502534136	KGRIWBJVVWIXDK-INIZCTEOSA-N	404.901	5.036	30	20	HKED	
CCC[C@@H]1C[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1	503020327	PQGNHVZRGKKPHG-UYAOXDASSA-N	412.917	5.324	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1	507050136	CNAVKANJLLTADD-UHFFFAOYSA-N	416.531	5.554	30	20	HKED	
Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(Cl)c(C#N)c1	508153204	APJYXICZHLDUNS-UHFFFAOYSA-N	416.662	5.190	30	20	HKED	
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	512380458	BTKZXTIKKADHDE-BFYDXBDKSA-N	411.361	5.471	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1	513671394	IAKZJGOHKIHDSZ-QGZVFWFLSA-N	402.397	5.753	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1[N+](=O)[O-])c1nc(C23CC4CC(CC(C4)C2)C3)cs1	515542755	BQPHYWVQWICEOW-DCJJRUGTSA-N	407.495	5.009	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)Cc1cnc2ccccc2n1	515664658	YGCNVXWVUZMUMS-GOSISDBHSA-N	422.488	5.420	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)Cc3ccccc3-4)n2)cc1	516269899	CMZNDQQBKWYSQR-HSZRJFAPSA-N	417.493	5.743	30	20	HKED	
CCc1cc(C#N)c(NC(=O)CCCCOc2ccc(Br)cc2)s1	518194135	UQDCHFFJDFNJDI-UHFFFAOYSA-N	407.333	5.132	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N(C)Cc1cccc(C#N)c1	518571112	HQCKCPZAXSRSLE-HNNXBMFYSA-N	424.957	5.546	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C(/CC(=O)O)c2nc3ccccc3o2)c1	520930879	ODESPWAWZKRUOX-NDENLUEZSA-N	410.429	5.294	30	20	HKED	
CCC[C@@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccc(Cl)c(Cl)c1	521179444	XOUVMTNKWDOBBN-HXUWFJFHSA-N	421.372	5.311	30	20	HKED	
CCOc1ccc(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1	521811571	MERSRTGMDMOQQZ-GOSISDBHSA-N	411.571	5.922	30	20	HKED	
C[C@@H](Nc1cccc(Oc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2	522146713	VMMLOEZRYXZMMF-OAHLLOKOSA-N	403.507	5.340	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)[C@@H](C)Oc3ccccc3C#N)s2)cc1	523495099	LDDGISRAGTVJLN-ZWKOTPCHSA-N	419.550	5.286	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1c(F)cccc1F	524985494	DCRKAHWJZIWUIB-UHFFFAOYSA-N	415.305	5.890	30	20	HKED	
CN(C(=O)CSc1ccc(C#N)cc1F)[C@@H](c1ccccc1)c1ccc(F)cc1	525628350	BJZYLQRJNPJJSI-QHCPKHFHSA-N	408.473	5.177	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)CC1CCCCC1	535204094	BGVHJKWPQSHHTH-UHFFFAOYSA-N	411.615	6.013	30	20	HKED	
CC[C@@](C)(C#N)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	536073956	JWZCPMZPJOTVKP-ZDALTALBSA-N	405.523	5.044	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1	536185480	SEJYYCFLOGAVEL-FQEVSTJZSA-N	424.287	5.240	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1	537099640	KLSNJLJYKYAZTC-HEFCMCLBSA-N	415.946	5.243	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)c1ccc(C#N)c(Cl)c1	540272470	LDZFKPXJEKMTCY-UHFFFAOYSA-N	418.880	5.873	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)N3CCCCC[C@H]3c3ccccc3)n2)c(F)c1	541098234	HJYSCSVOLDHOQX-FQEVSTJZSA-N	403.461	5.032	30	20	HKED	
CCc1nnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1	543053350	YGXIVHMEJRBEPA-GFCCVEGCSA-N	421.263	5.063	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc2ncccc2c1	545314342	CEJINEYVDONBNF-UHFFFAOYSA-N	406.486	5.023	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	549047720	CNBUZDLNHCFDAU-HTAPYJJXSA-N	415.493	5.370	30	20	HKED	
C=CCCCN(C)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)n1C[C@@H]1CCOC1	549641692	SCVZYBLADHGMCP-UXHICEINSA-N	420.557	5.010	30	20	HKED	
N#CC[C@H](CC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccccc1	552394225	HGWSMFUIEIFUEN-JOCHJYFZSA-N	400.547	5.332	30	20	HKED	
C=CCN(CCC#N)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	553101070	OLAAQUDDVHHYKB-UHFFFAOYSA-N	419.308	5.123	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc(C(F)(F)F)cc1	566393813	KOHCXAYPSOTRSK-KSSFIOAISA-N	404.432	5.394	30	20	HKED	
CC(C)c1ccc(OC2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)cc1	584325590	VZQIYXGCLKCCKZ-UHFFFAOYSA-N	415.493	5.020	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ncc(-c3ccc(Br)cc3)s2)c1	588781176	JTPFPOQUMVHLOM-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
C=CCOc1cccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1	588942692	KFTIEEVCUWUTSN-UHFFFAOYSA-N	405.473	5.062	30	20	HKED	
N#CCCCCCc1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	589152474	NAGIKHJUOYEGIB-UHFFFAOYSA-N	401.495	5.549	30	20	HKED	
COc1ccc(-c2csc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)n2)cc1	589833760	QSKBUOXOHRGRIR-UHFFFAOYSA-N	404.278	5.249	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1	590613420	PIKXIQAVUSWCEH-HNNXBMFYSA-N	405.523	5.279	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](C)C(=O)c1ccccc1	602130190	HUNCYLKYSWPVTA-IBGZPJMESA-N	412.489	5.293	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1	604664949	HXMHUOFLCPIEGL-VWLOTQADSA-N	415.537	5.080	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc2c3c([nH]c12)CCCC3	608876764	UGBDPWUKMKASEL-UHFFFAOYSA-N	422.488	5.666	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609061208	VOKVPTPEOCJTFF-UHFFFAOYSA-N	413.477	5.047	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4[nH]c(-c5ccco5)nc4c3)o2)cc1	609071649	OGYNLZLSLNCZLF-UHFFFAOYSA-N	424.416	5.119	30	20	HKED	
N#CCn1c(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc2ccccc21	609167897	IUFIESRFHAOESL-QGZVFWFLSA-N	412.518	5.146	30	20	HKED	
CC(C)CCOC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1	609434266	MQOXZFBSDJOOEM-UHFFFAOYSA-N	407.514	5.410	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H]2OCCc3ccccc32)c1	609724774	LAUGIHPBXIWYKE-QHCPKHFHSA-N	418.880	5.048	30	20	HKED	
Cc1sc2nc(CN3CCCC3)nc(S[C@H](C)c3ccc(C#N)cc3)c2c1C	609825639	JPTZBLODTYXYLV-MRXNPFEDSA-N	408.596	5.629	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)cc2)cc1	609928942	OFRGQVZVSHFPSN-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1	610683712	MQFAGJVSSPYWNM-RUZDIDTESA-N	412.489	5.263	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	613319294	BYBQCIMQLYLYQS-AWEZNQCLSA-N	401.944	5.671	30	20	HKED	
CSc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	613346924	SHXYDQSKOMZQMO-HNNXBMFYSA-N	419.358	6.329	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	615321706	YLZPOXYCVQNIPZ-AWEZNQCLSA-N	408.329	5.406	30	20	HKED	
CC1(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CCC(F)(F)CC1	680267806	KVOMRGSKCDQTSN-URLYPYJESA-N	410.349	5.163	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)c1nnc(-c2cccs2)o1	728062150	GKCYRULZRHVZBB-INIZCTEOSA-N	416.506	5.730	30	20	HKED	
N#CCn1c(C(=O)OCCOC(c2ccccc2)c2ccccc2)cc2ccccc21	729767274	BMDCVZBFVLEZNA-UHFFFAOYSA-N	410.473	5.128	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(N2CCCCC2)cc1	731114343	ODQLEKXEMAAHFF-LJQANCHMSA-N	422.598	5.293	30	20	HKED	
C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	731256569	MWKVJXJRWLIUMY-INIZCTEOSA-N	418.415	5.037	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)NCCc1ccc(Cl)cc1Cl	731321276	PVYAAOYWFMEMKO-ZDUSSCGKSA-N	424.422	5.917	30	20	HKED	
C[C@@H](SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1	731938471	GDLXYDFHIRJALR-RDTXWAMCSA-N	412.967	6.134	30	20	HKED	
COc1ccc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)cc1OCCCC#N	732572122	YPNPLBGOYMBMLJ-PKNBQFBNSA-N	404.491	5.397	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)o1	732769844	PXCWEHIRKQXCKQ-JQWIXIFHSA-N	423.325	5.051	30	20	HKED	
COc1cc(/C=C2/CCOc3c(Br)cccc3C2=O)ccc1SC	733749399	VSNOYZLQTSZBTA-RAXLEYEMSA-N	405.313	5.228	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2ccc(OC[C@H]3CCCO3)cc2)c1	734160045	KWUAYYWZEWBIKU-AREMUKBSSA-N	414.505	5.307	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)Cc1ccc(OCC#N)cc1	734738987	VSGUSILEXYJESD-HNNXBMFYSA-N	410.470	5.007	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(F)c1	735742722	JDNLCNLFNYGDFK-QHCPKHFHSA-N	401.485	5.580	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	739143322	JAQKDGHHQVRZBL-SJCJKPOMSA-N	408.807	5.200	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=NNc2cccc(C(F)(F)F)n2)CCC3)cc1	739421973	QXDHVIDVCXSNQD-UHFFFAOYSA-N	418.444	5.385	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)C[C@@H](c3ccccc3)C(F)(F)F)c2)s1	739593992	BSEPFHCFJDYVNS-IBGZPJMESA-N	414.452	5.639	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(OC(F)F)c(F)c3)c2)s1	740440970	RXOWAWWQARGPQL-UHFFFAOYSA-N	417.412	5.349	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C)c1ccncc1	740481541	ZIIYFIAPKVQJFL-WIYYLYMNSA-N	420.582	5.842	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	741436205	OMJYNWCIITWCBE-HZSPNIEDSA-N	420.387	5.314	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)N[C@H]1CCOc2ccccc21	741486462	DSGRUWNLSJIEGS-QFIPXVFZSA-N	415.518	5.469	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)ccc1OCC#N	741842013	IZMLLOHHUQFQRK-WAPJZHGLSA-N	407.413	5.148	30	20	HKED	
CCOc1c(OC)cc(/C=C\C(=O)c2ccc(SCC(F)F)cc2)cc1OC	741844371	UCYMUBBVWKZDIM-YHYXMXQVSA-N	408.466	5.356	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1F	741846496	GSWQHCYJQSARPS-VQHVLOKHSA-N	404.846	5.039	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	744026020	RGHYGUNYUXULCU-NFBKMPQASA-N	416.908	5.404	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2ccc(OC)cc2c1C	744027851	BJTDKUMFICWVQX-IBGZPJMESA-N	420.534	5.304	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	744371656	XEYVTALNKGZARL-UHFFFAOYSA-N	418.806	5.036	30	20	HKED	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C\C(=O)c1ccc(-c2ccncc2)cc1	745989882	FDQHHRALHXNFOA-SEYXRHQNSA-N	423.472	5.007	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746439890	RLJZGUGFLIYCQY-BZNIZROVSA-N	417.305	5.191	30	20	HKED	
N#CCc1ccc(NC(=O)CNc2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1	749394319	PEVFWKXNCNOQRX-UHFFFAOYSA-N	414.553	5.184	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1cn(Cc2ccccc2)nc1-c1cccnc1	754711917	DASHKPYRSFBXCI-UHFFFAOYSA-N	422.410	5.425	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)Cc2c(Cl)cc(Br)cc21	759090738	LQMHVICNKRPFRM-VZUCSPMQSA-N	417.715	5.443	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cn(-c2ccccc2)nn1	760472000	ZXVDWZWEFSYXKP-QGZVFWFLSA-N	413.456	5.030	30	20	HKED	
FC(F)(F)C1CCC(C=Nn2c(S)nnc2SCc2ccccc2)CC1	767359374	HGFYVKQFARULFD-UHFFFAOYSA-N	400.495	5.062	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)c1ccccc1OCC#N	770675405	KOGLPYPDKJLFJW-UHFFFAOYSA-N	404.491	5.142	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccncc1	774217497	GPEQFBWFYKATNL-MOPGFXCFSA-N	423.866	5.822	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OC)cc1	776078269	WIMRNQAAYASDDP-RTBURBONSA-N	410.926	5.842	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2SCC#N)nn1-c1ccc(Cl)c(Cl)c1	777485587	ZDLDIVTXAZJZQU-UHFFFAOYSA-N	417.321	5.356	30	20	HKED	
C#CCCCCCC(=O)N(CC)[C@H](c1ccc(Br)cc1)c1cccnc1	779935800	JMPUTNROUYARDA-JOCHJYFZSA-N	413.359	5.366	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1	782753510	ICMWKZSOIRAUCZ-HXOBKFHXSA-N	400.482	5.129	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	788092675	NFHDTSUETBFTOL-XWGVYQGASA-N	412.489	5.101	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(C#N)cc2Cl)cs1	788360985	QXWMHIYXEGEVAW-POHAHGRESA-N	421.909	5.557	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	789457122	SQYGAMRCGGTMCD-MOPGFXCFSA-N	415.578	5.496	30	20	HKED	
O=C(/C=C\c1cc(Br)c(Cl)s1)c1ccc(N2CCOC2=O)cc1	790218165	JTQCDQDAGPHSHJ-WAYWQWQTSA-N	412.692	5.017	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@@H](C#N)c1ccc2ccccc2n1	790766235	CRLSRYQZQRYBOU-IBGZPJMESA-N	415.493	5.391	30	20	HKED	
O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1csc(C(F)(F)F)n1	790834063	YTPJAHRTHNWMSF-VIFPVBQESA-N	423.256	5.641	30	20	HKED	
COc1cccc([C@H](C)CCCC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c1	790960242	XEPVUPRAWDXUTL-CYBMUJFWSA-N	401.850	5.041	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)CCC=C2	793127366	WKFKEJFYCPAEEV-QFIPXVFZSA-N	408.457	5.399	30	20	HKED	
Cc1c(Br)cc(CNc2cccc(OCC#N)c2)cc1Br	793587807	VGKRPLYKCQMUTL-UHFFFAOYSA-N	410.109	5.035	30	20	HKED	
Cc1ccc(NC(=O)[C@H](OC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)cc1	795988633	ZJMOPJHNDKSWFS-WIOPSUGQSA-N	412.489	5.306	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CC1CC(c2ccccc2)C1	798733176	KBAATEJQXZJXFM-ZJRDLVKKSA-N	422.550	5.004	30	20	HKED	
O=C(N1CCC(F)(c2ccccc2C(F)(F)F)CC1)C12CC(C(F)(F)F)(C1)C2	799026391	JQMIVIZBSNVFAE-UHFFFAOYSA-N	409.345	5.225	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](Nc1c(C#N)cnc3c(Br)cccc13)CCC2	799323191	TZIQSXLLWXDSAB-KRWDZBQOSA-N	410.319	5.136	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	802044733	CMYWCHQQOUONQK-RDJZCZTQSA-N	404.388	5.716	30	20	HKED	
CC[C@@H](NC(=O)c1cc(F)c(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1	804425622	SBJAKKKGXKMDGX-SNVBAGLBSA-N	418.309	5.340	30	20	HKED	
FC(F)(F)c1ccc(C2=NNC(=Nc3ccc(Cl)c(Cl)c3)SC2)nc1	804599789	QJURJNADKZJADY-UHFFFAOYSA-N	405.232	5.135	30	20	HKED	
C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(Cl)cc1	810186662	WYCNHLZNQSRXMN-KRWDZBQOSA-N	413.264	5.072	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1sc2ccccc2c1Br	810437704	DGJCEBKOBUXKDF-UHFFFAOYSA-N	404.260	5.067	30	20	HKED	
COc1ccccc1C1(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)CCCCC1	815913510	UFPNPMKSJBGCHY-INIZCTEOSA-N	423.463	5.518	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ccc(F)cc2Br)cc1OC	836737387	PLHGINLZJVFUQB-UHFFFAOYSA-N	416.674	5.200	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)ccc1OCC(=O)O	916138609	YUOMIDWOZLVCQN-KXFIGUGUSA-N	415.656	5.015	30	20	HKED	
CC(C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916654329	XZMSSAHJBURTBE-GOSISDBHSA-N	410.926	5.842	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1cccc(C(C)C)c1	916906677	IUQGKLIJNPNHSA-HTAPYJJXSA-N	406.526	5.050	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](c2ccc(Br)cc2)C2CCC2)cc1	917396958	KFSHLCQGLQJSAH-QFIPXVFZSA-N	412.375	5.430	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	919819296	MBDKTNPFLQFMFD-UHFFFAOYSA-N	403.825	5.159	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2ccc(C(F)(F)F)cc2)o1	920064656	IBTPBLLYOZLTQV-GZTJUZNOSA-N	406.429	5.468	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)s1	920101443	AHTQXUPJQXYSLC-HNNXBMFYSA-N	419.531	5.104	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1	920114014	XGFOEQABLPBVEN-KSSFIOAISA-N	414.452	6.199	30	20	HKED	
Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920142827	WRLQGTKXESDXLK-IBGZPJMESA-N	401.491	5.026	30	20	HKED	
Cc1c(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)sc2nc(C(F)(F)F)ccc12	920877945	SWNGWZTZPCPLIC-CYBMUJFWSA-N	422.403	5.302	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1)C(F)(F)F	1787619097	FAAKTQCEGNLGDJ-UHFFFAOYSA-N	408.464	5.209	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cc[nH]c4c3)CCC2)cc1	1791727367	HYSYYGHFCBHDDC-UHFFFAOYSA-N	413.521	5.109	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)ccc3C)cc2)CCC1	1792090711	JFYSXYLQEILCEO-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccc(F)c(F)c2)n(Cc2ccccc2)c1C	21737034	ZMDLFAREKJSASK-UHFFFAOYSA-N	411.477	5.034	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1	65414436	KYSGOTOWUHGYFG-UPVQGACJSA-N	415.468	5.148	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccccc2F)c1C)c1nc(-c2ccccc2)cs1	105590161	UXQHATLUWQNIOC-UHFFFAOYSA-N	418.497	5.276	30	20	HKED	
N#CCCCOc1cccc(NCc2cn(-c3ccccc3)nc2-c2cccnc2)c1	237828551	VTYYJDRAPSUTNW-UHFFFAOYSA-N	409.493	5.229	30	20	HKED	
CN(C)Cc1nc(Oc2ccc(C#N)cc2F)c2c(-c3ccccc3)csc2n1	301675600	BYUQBMDOXJJXMJ-UHFFFAOYSA-N	404.470	5.223	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3C)n2Cc2ccco2)cc1	302108983	PBUYKXZHEBFWLZ-NRFANRHFSA-N	414.534	5.430	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1	409742797	VCCYSKYAJVDGPP-QGZVFWFLSA-N	401.466	5.029	30	20	HKED	
O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)[C@H]1CCCC(F)(F)C1	409968185	XJLVCZZDEGDCFT-JQWIXIFHSA-N	405.285	5.130	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1	431697781	PXCFDAPVQVVUAQ-INIZCTEOSA-N	406.711	5.659	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	435465444	WFWGYEMFFMOSHY-UHFFFAOYSA-N	408.323	5.385	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1)c1ccccc1	435729870	FESSMMUQTLZIBR-NRFANRHFSA-N	417.509	5.227	30	20	HKED	
Cc1cc(Br)oc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437488439	DFGGCBXDGSTGEE-UHFFFAOYSA-N	415.218	5.406	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	439293498	GPXJCCHNQCWGTJ-RUZDIDTESA-N	424.504	5.498	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2ccccn2)c1	439397726	OABBLHOHSRPWMO-QGZVFWFLSA-N	402.523	5.322	30	20	HKED	
N#CCC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1	439677048	ZVPNMLSBXLVMIO-INIZCTEOSA-N	411.221	5.243	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc12	440298114	TXOXPEQNTNVWQA-UHFFFAOYSA-N	402.928	5.300	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cc(C(=O)NC)ccc1C)c1ccc(C(F)(F)F)cc1	442201985	QQWGBVKISVMEQB-GOSISDBHSA-N	419.447	5.202	30	20	HKED	
C[C@H](Sc1ccccn1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	442391243	DPMWGNKYZFZZHA-KXBFYZLASA-N	407.926	5.510	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1Cl	461327456	YLZWCUFLONCXMM-FGZHOGPDSA-N	422.912	5.178	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3SCCc4ccccc43)c2)cc1	463120816	SWUMHYNQPQYNFY-DEOSSOPVSA-N	414.530	5.301	30	20	HKED	
CC(C)(C(=O)Nc1ccc(C#N)c(C#N)c1)c1csc(-c2c(F)cccc2Cl)n1	464051356	ORJIPQGPALOPGH-UHFFFAOYSA-N	424.888	5.262	30	20	HKED	
CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CC2	465380352	VJZYPCGBGZUJNN-OALUTQOASA-N	423.944	5.091	30	20	HKED	
N#Cc1cccc(CNC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1	465526967	ZDNYCMYGICEJCY-UHFFFAOYSA-N	417.431	5.111	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cc1	468635580	QXASIGLGEAZMOS-IBGZPJMESA-N	424.525	5.571	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12	469779690	KJRIIAOVUPXEEC-UHFFFAOYSA-N	403.526	5.903	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(OCCc2ccccc2)CC1)c1ccc(F)c(F)c1	477729537	RUDIZBAYOZGFPH-QHCPKHFHSA-N	414.496	5.015	30	20	HKED	
Cc1nc(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)sc1C	478184883	WHEYNCXKDJYWMX-UHFFFAOYSA-N	411.914	5.050	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H](c2ccco2)C1	480207753	FQUHUHPFQVKIEL-XJKSGUPXSA-N	407.392	5.097	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(F)cc(F)cc3C2)cc1	482922149	WPPBHPLKQFXKOV-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc2)cs1	483191730	BSRRUFZDTSOWAS-SFHVURJKSA-N	416.531	5.177	30	20	HKED	
COc1ccc(CCCN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	483408215	OHDRKXGQXPQJCT-UHFFFAOYSA-N	400.478	5.064	30	20	HKED	
CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	483487625	WRHVFCMZABEENV-FGZHOGPDSA-N	409.555	5.127	30	20	HKED	
CC(C)(C#N)c1ccccc1COc1ccccc1NC(=O)COc1ccccc1	486905169	MTDQLQJZPCSBAU-UHFFFAOYSA-N	400.478	5.084	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1	487604154	ODEHZQGXJCOUOZ-QGZVFWFLSA-N	401.388	5.231	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	494566424	PUGYOJSEJGJMGC-AWEZNQCLSA-N	418.419	5.053	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ncc(Cl)cc1Cl	499487902	ZILVDSZRDNHHPR-MRVPVSSYSA-N	420.243	5.398	30	20	HKED	
COCCOc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	502602370	JXCUTQIZUMOSQP-UHFFFAOYSA-N	403.438	5.020	30	20	HKED	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(OCCCC#N)c1	506296659	CGONEDDGFBQWOO-UHFFFAOYSA-N	420.340	5.137	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)N[C@H](c1c(F)cccc1F)C(F)(F)F	507234760	LBVWXVKQTUQKKI-CYBMUJFWSA-N	400.681	5.322	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OCCCC)CC1	508491482	GJPCDVGWODNKAK-QGZVFWFLSA-N	418.969	5.043	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)nc2ccc(Br)cc12	508999105	NJAYPYRALYNESD-UHFFFAOYSA-N	422.326	5.230	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](Sc2ccc(C#N)cc2)c2ccccc2)c([N+](=O)[O-])c1	509648762	BDFATWGFBCDAGB-NRFANRHFSA-N	403.463	5.247	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc(-c2ccccc2)ccc1C#N	510182064	BTOAHAQJTCOITL-FQEVSTJZSA-N	419.575	5.310	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510675712	SGHZQQMOFQITMB-HXUWFJFHSA-N	403.507	5.953	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510693221	ONVRPAHTNIYTPR-UHFFFAOYSA-N	410.477	5.666	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccccc2Br)nnc1-c1ccoc1C	512513023	DDCHACGCAZJPMY-CYBMUJFWSA-N	404.333	5.648	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl	512548265	ZXKYUWKJFZOLMC-OAHLLOKOSA-N	409.361	5.176	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	512793265	SCWJSTNSBQWCQB-QHCPKHFHSA-N	413.477	5.728	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)o2)cc1	512969756	KEFMVOZZPYVLED-GOSISDBHSA-N	413.458	5.158	30	20	HKED	
CC(C)(C(=O)Nc1cccc(CSC2CCOCC2)c1)c1cc(F)cc(C#N)c1	513018488	ZSBNCDJYLUMJQI-UHFFFAOYSA-N	412.530	5.026	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nc2ccccc2s1	513734048	ZICRCKCEHLEWJR-VIFPVBQESA-N	409.667	5.341	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	513779995	OQNWUSFGQPAFMI-AWEZNQCLSA-N	423.900	5.528	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OC4CCCCC4)cc3)CC2)cc1	515248220	NNQGHNACPUYMNO-UHFFFAOYSA-N	419.525	5.345	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc(-c2ccccc2)cs1	515542496	XQSVCWRSSAWLFZ-FQEVSTJZSA-N	416.527	5.941	30	20	HKED	
N#Cc1ccccc1OC1CCC(NCc2csc(-c3ccc(F)cc3)n2)CC1	517709937	VIOGAHBQKIYTKQ-UHFFFAOYSA-N	407.514	5.301	30	20	HKED	
Cc1ccccc1CN1CCC(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	518754648	VEWLJORQWQXGOM-IBGZPJMESA-N	422.598	5.175	30	20	HKED	
N#C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1	518848875	GQLMZVBOFRIXTJ-QGZVFWFLSA-N	418.349	5.697	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(F)ccc2Cl)cc1	519200671	XDVYJXHXVLQLPP-UHFFFAOYSA-N	411.839	5.724	30	20	HKED	
C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521082971	KLAORJFOESOLLV-DFBJGRDBSA-N	412.489	5.147	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1	521643231	WJWHHRTZMDLCHY-ZEQRLZLVSA-N	416.452	5.140	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1SCCC#N	521716936	QHTZWBSYSZETDG-UHFFFAOYSA-N	413.955	6.030	30	20	HKED	
CCSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	522289339	VSWGGFFSRWTCNR-UHFFFAOYSA-N	404.491	5.723	30	20	HKED	
CSc1cccc(N(C)C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	522369886	AUWKBYYNRUQCLD-UHFFFAOYSA-N	404.539	5.079	30	20	HKED	
Cn1cccc1[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	523900743	CITFBDOSHKQATJ-OAQYLSRUSA-N	405.885	5.320	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc2c(C)c(C)[nH]c12	524422856	JUMSWVPWEIJCPB-UHFFFAOYSA-N	409.489	5.796	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	524851353	BSRSBECHEMYRMB-QGZVFWFLSA-N	418.518	5.265	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	532760191	FXHQAIWGDVNQGA-OPAMFIHVSA-N	415.990	5.660	30	20	HKED	
C[C@H]1CSc2ccccc2N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	533147217	CYZKQECSDDBYJB-MRXNPFEDSA-N	404.491	5.119	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1Cl	535621263	QZOVYEPJQTUKBK-NZQKXSOJSA-N	416.908	5.752	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2nncs2)cc1	535837623	KKGCENXUZACQGM-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(C#N)c(Cl)c1	536971848	IVQJKFKRHFHAMO-UHFFFAOYSA-N	415.880	5.329	30	20	HKED	
CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1	537586038	DNWKRBZYRVSLLH-UHFFFAOYSA-N	413.477	5.085	30	20	HKED	
C=CCCOCCCCC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C	538301873	PREFIYOLUSLRHF-KUHUBIRLSA-N	412.393	5.111	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1c1cccc(F)c1	543889451	XSVVTUPLXSWXJZ-QKKBWIMNSA-N	423.879	5.151	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ncsc2C(F)(F)F)cc1	549200906	AECXWEADXRNQQN-UHFFFAOYSA-N	419.403	5.015	30	20	HKED	
N#Cc1ccncc1C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	553982360	OZMIOQGWVAZNJI-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c(C)c2)n1	554705791	ULBKGBMBSASCLR-UHFFFAOYSA-N	423.538	5.592	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC=C(c4ccncc4)C3)c2)cc1	562105327	MQWOIAYSBRPSRI-UHFFFAOYSA-N	424.504	5.048	30	20	HKED	
CCO[C@@H](c1noc(/C=C/c2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F	569390898	ZMDYEYCPCDDGOA-QPGLYAHGSA-N	417.362	5.395	30	20	HKED	
N#CCCC[C@H](NCc1ccc(Br)c(Br)c1)c1ccccc1	575769887	PZOIJMJWWLELAN-SFHVURJKSA-N	422.164	5.736	30	20	HKED	
N#Cc1ccc(NC(=O)c2nc3ccccc3cc2Br)cc1C(F)(F)F	580492254	HPWCENMZFBSSGY-UHFFFAOYSA-N	420.188	5.140	30	20	HKED	
N#CCCCCCC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1	588156043	SWEWQCAJDCAIML-XMMPIXPASA-N	409.961	5.048	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	590336787	QLOJITKJAPBTCE-IAQYHMDHSA-N	406.301	5.541	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cc2ccccc12)c1ccc2ccccc2n1	592975899	XRNKYBRKEWUXCL-IBGZPJMESA-N	401.263	5.641	30	20	HKED	
Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	603993718	PEKDINGFSDLKMF-UHFFFAOYSA-N	400.478	5.485	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(Cl)c(Cl)c1	604007757	YTMZOKAFWZYPGK-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nnc(-c2c(Cl)cccc2Cl)o1	608832649	GMPHBBDVGMJDNF-UHFFFAOYSA-N	419.268	5.140	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1Cl	609498956	YVMYKUZYTBSAAM-UHFFFAOYSA-N	419.868	5.409	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2ccccc2CC1	609712363	OYDPMRDAFGPAJJ-UHFFFAOYSA-N	411.505	5.078	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	609984697	XLYKKJXRSVSCOE-OAQYLSRUSA-N	401.466	5.405	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCC(C)CC2)c1	610096632	HETZFUWYODIRIW-UHFFFAOYSA-N	404.558	5.485	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1	610142630	DYQJWPPKYOPJDH-OALUTQOASA-N	407.583	6.334	30	20	HKED	
Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)c1	610859301	IIQDDGDDPUEENF-HNNXBMFYSA-N	424.551	5.028	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1	611357553	CILIVMBFBATDPX-LEWJYISDSA-N	419.525	5.330	30	20	HKED	
Fc1cc(Br)ccc1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618450007	KFIYQRWKDJLOED-UWVGGRQHSA-N	408.155	5.151	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)cc1	727938903	PVOXZKGOAUBSSB-UHFFFAOYSA-N	412.424	5.360	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Cl)c1	728061879	CZDLSIGUTVKUNW-KRWDZBQOSA-N	419.912	5.538	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)n1-c1ccc(C#N)cc1	728265889	ZKVPRGITEGROLS-UHFFFAOYSA-N	406.489	5.204	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](c1ccccc1)C(F)(F)F	728767203	XLOBTERVHWCDCY-MOPGFXCFSA-N	416.443	5.195	30	20	HKED	
CC/C(=C\C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	728800493	CMMRSJHZHGIVAV-SFQUDFHCSA-N	406.536	5.134	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	729375692	QYEZOCZZMCSGKY-RUZDIDTESA-N	423.472	5.253	30	20	HKED	
N#CCOc1cccc(/C=C\C(=O)c2ccc(-c3ccccc3Br)s2)c1	730149859	LDXRUSOBVAOOJL-HJWRWDBZSA-N	424.319	5.976	30	20	HKED	
COc1ccccc1C[C@H](C)N(Cc1ccccc1)Cc1ccc(OCC#N)cc1	731212337	HJGCNNIGYUYJQV-NRFANRHFSA-N	400.522	5.231	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1	733798370	TWSDLYYALYTIFJ-HFZDXXHNSA-N	423.516	5.563	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)c1	733807559	VXLGJKITMPJFJO-LJQANCHMSA-N	419.447	5.118	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc2ccccc2s1	734115554	VJTKDCOOTSGXSH-AWEZNQCLSA-N	417.465	5.590	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2nccc3ccccc23)c1	740760392	CCXAXSYWBQYCAC-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc2cc(F)ccc2s1	744117679	BCRPYAJCQOKWQC-RBSFLKMASA-N	405.281	5.722	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1	752655926	IZAJNHCHDGBTBM-FGZHOGPDSA-N	420.513	5.195	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)s1	752658246	FDKJFGBNVVLPRI-CQSZACIVSA-N	423.307	5.031	30	20	HKED	
COc1cccc(-c2nn(C(C)(C)C)cc2C=NOc2ccccc2C(F)(F)F)c1	754708986	HFNWEWVDTSZECM-UHFFFAOYSA-N	417.431	5.745	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1-c1ccccn1	754875698	CWXOXUJWLTXFCL-DEOSSOPVSA-N	419.484	5.665	30	20	HKED	
Cc1nn(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1-c1ccccc1	766401439	XXCADKMDCORUQY-DEOSSOPVSA-N	406.489	5.153	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1	767752259	UFUHJZYXOKGGBY-AWEZNQCLSA-N	414.289	5.058	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3cc(-c4ccccc4)c(C)n3)n2)cc1	774053176	IDIXVRRNTIDINU-FQEVSTJZSA-N	412.518	5.167	30	20	HKED	
C[C@@H](N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccc(OCC#N)cc1	776159263	ITMLXRQBYVNYSF-UZUQRXQVSA-N	421.338	5.792	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1	780161686	UHNNAWGAXOJPGR-ZHRRBRCNSA-N	422.937	6.103	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc2ccccc2s1	781443944	DSYVZRBQUOYONB-CQSZACIVSA-N	404.388	5.362	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1	783005441	XDCOXTHRTCFUSZ-OAQYLSRUSA-N	412.320	5.364	30	20	HKED	
N#CCSc1ccccc1C(=O)N(Cc1cccc(Br)c1)CC1CC1	789861133	RVFBCFINKPYXPW-UHFFFAOYSA-N	415.356	5.117	30	20	HKED	
COc1cccc(Cl)c1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	790774633	ZDMMCRVXSZCPLP-LBPRGKRZSA-N	424.831	5.396	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](c3ccccn3)C2)cc1Cl	798715740	JAGSAICCWXCHRI-GOSISDBHSA-N	403.869	5.029	30	20	HKED	
Cc1ccc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cc1C#N	799549962	BUJLRIXDNORRGC-INIZCTEOSA-N	414.486	5.242	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CC(C)(C)O2	810176132	SHXXOBPVMFLCJD-SFHVURJKSA-N	413.543	5.359	30	20	HKED	
CC(/C=C/C(=O)c1c(F)cccc1N1CCOCC1)=C\c1ccccc1OC(F)F	811691154	JYYMEJNSTTXDJR-DSIBUQCCSA-N	417.427	5.106	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)o1	815681781	GAHGPZRBKMJJHW-UHFFFAOYSA-N	402.429	5.449	30	20	HKED	
C(=NNCc1cccc2cccnc12)c1cn(Cc2ccccc2)nc1-c1ccccc1	915960107	ZEJAGUZRFMUWSM-UHFFFAOYSA-N	417.516	5.270	30	20	HKED	
Clc1cnc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(Cl)c1	916317281	GZEGGCNSKDNBGQ-UHFFFAOYSA-N	409.280	5.082	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	916905082	MFJDBJAJQZNEEQ-IBGZPJMESA-N	418.880	5.412	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)-c1ccccc1C2	916905555	DQICSAXBDDAMQC-DEOSSOPVSA-N	408.501	5.344	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccccc2)cc1	916915115	DKPNOCNROHWFNU-HSZRJFAPSA-N	406.441	5.593	30	20	HKED	
CCC[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	917042849	HZFAQZGRPIESHX-CVEARBPZSA-N	402.441	6.075	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]2c2ccsc2)c1=S	917454920	MIZXEKXOUFQZES-SFHVURJKSA-N	400.548	5.262	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1	918197106	HNJBZOUPVPFQGK-VWLOTQADSA-N	403.957	5.763	30	20	HKED	
CCc1nc(CC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cs1	920114006	WSDLMVZGVSJQQO-LEJIWSMMSA-N	411.596	5.049	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cc(F)cc(F)c2)cs1	920375167	TWCIVSDJNBSGBB-UHFFFAOYSA-N	406.845	5.205	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	921010382	HELGQLVWNBHJDZ-UHFFFAOYSA-N	408.417	5.167	30	20	HKED	
CC[C@H](C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1)c1ccccc1	1787645582	ZSJSLBDEXWQCJV-QFIPXVFZSA-N	415.537	5.008	30	20	HKED	
C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@@H](c4ccccc4)[C@@H](C)CC)CC3)C2)C1	1804777351	BCRALTMCHKTGGE-XUZZJYLKSA-N	422.613	5.014	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1	1828129382	KDZLHFDYDAAEFO-AVRDEDQJSA-N	422.569	5.187	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831793677	IAPCLTSNRGRBJB-XZOQPEGZSA-N	414.634	5.345	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(O)c2)c1	10832559	SLNPBJYMAZQIKQ-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)oc2ccc(Br)cc12	40037915	MGDJTFJBUBZPNW-UHFFFAOYSA-N	415.312	5.568	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1	41516730	GPSOQMWFFFHTLN-OAHLLOKOSA-N	408.870	5.041	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1	46576557	LRPXGLNUZHVLNE-UHFFFAOYSA-N	413.502	5.310	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc2ccccc2c1	47991986	LKYAZJWQPRCAJB-UHFFFAOYSA-N	415.474	5.008	30	20	HKED	
N#CC1CCN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CC1	61585445	ISQLNMSMMQYOQS-UHFFFAOYSA-N	405.350	5.661	30	20	HKED	
COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	64714952	FQGUKYIFBXFJEV-GFCCVEGCSA-N	404.825	5.240	30	20	HKED	
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N	65562496	NPBWODMBCUESTC-UHFFFAOYSA-N	423.516	5.458	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(COc3ccccc3)cc2)cc1	108739917	LVRGXCSGBWIRKE-UHFFFAOYSA-N	424.422	5.342	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl	195729965	MJMICYVHSZSUGI-CYBMUJFWSA-N	406.288	5.463	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc(OCCCC#N)c1	237531126	HEBLIBRCFQJFBJ-OAHLLOKOSA-N	405.420	5.217	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	303486528	REKIBERHTJDWQQ-PKOBYXMFSA-N	412.967	6.211	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	409527810	IFSBSTZJDNUFQE-GMAHTHKFSA-N	414.461	5.110	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Br)c2c1OCCC2	426318500	KKRFLGIOBDEQHJ-UHFFFAOYSA-N	417.328	5.032	30	20	HKED	
CC(C)CCOc1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1	428903226	UZDZBUSASQHCIM-UHFFFAOYSA-N	402.498	5.141	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2)c1)c1nc(-c2ccncc2)cs1	429673901	BJTKNWKHAFNVPZ-QGZVFWFLSA-N	421.934	6.077	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N(C)Cc1ccc(C#N)cc1	430321175	ARAHGFGTTJHCDD-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1	431386151	XZOLUSSWCVWVQW-NTKDMRAZSA-N	414.509	5.669	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12	433958402	OEFVRDQFHKDSNU-UHFFFAOYSA-N	406.873	5.095	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1ccccc1SCCC#N	435655566	OBFKEOKLLVZFGY-UHFFFAOYSA-N	410.974	5.820	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(-c4cccnc4)cc3)cc2)c1	438071296	YPZOFCRIPFINLU-UHFFFAOYSA-N	420.472	5.734	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1	438077658	LVRYGJTXMSRQJF-GJZGRUSLSA-N	413.547	5.394	30	20	HKED	
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1	438561686	MAVSFBVITSNIMX-QHCPKHFHSA-N	417.553	5.328	30	20	HKED	
COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1OCC(F)(F)F	438978936	ZCEOFFXZDFXECK-UHFFFAOYSA-N	411.273	5.047	30	20	HKED	
Cn1cnc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc21	440531795	DDXWEWUQVRTBLJ-UHFFFAOYSA-N	402.841	5.143	30	20	HKED	
O=C(NCc1cccc(COCC(F)(F)F)c1)Nc1ccc(F)cc1C(F)(F)F	442207174	KREQVHPSYQFGKM-UHFFFAOYSA-N	424.316	5.245	30	20	HKED	
Cc1cc(F)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	442668740	FMCDGYFHHNZSJF-HNNXBMFYSA-N	405.281	6.055	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	442672177	PKGPESZASVATGI-ZDUSSCGKSA-N	401.944	5.862	30	20	HKED	
N#CCCSc1ccccc1NCc1cccc(Br)c1OC(F)F	443462468	QTLWQAHFAFGXDR-UHFFFAOYSA-N	413.287	5.668	30	20	HKED	
C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nc2ccccc2n1C(F)F	443907280	YVEMWYXVVXIKKO-HNNXBMFYSA-N	421.451	5.181	30	20	HKED	
C=CCn1c(SCc2nc(C(C)(C)C)cs2)nnc1-c1ccccc1OC	445588071	JVWSXPRYIALJCY-UHFFFAOYSA-N	400.573	5.186	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1	463719261	ZGGADELBUXKHBT-GOSISDBHSA-N	402.542	5.248	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Oc1ccccc1F	463927768	BVPRBXSQJBUMJB-MRXNPFEDSA-N	406.482	5.046	30	20	HKED	
CSc1cccc([C@H](NC(=O)c2cccc(CC#N)c2)c2cc(F)ccc2F)c1	464118137	OZHQZILMNUYQLC-QFIPXVFZSA-N	408.473	5.272	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1	464369555	RXUXEAFALOTVJZ-LJQANCHMSA-N	413.521	5.095	30	20	HKED	
Cc1coc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1	467991385	YFFJZOPBFQZPJW-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C	470349444	JAFNAXXAZUMNTD-LJQANCHMSA-N	417.431	5.854	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CNc2ccccc2S[C@@H](C)CC#N)c1C	470536040	CEDGWWAKWSDQKL-SFHVURJKSA-N	406.555	5.057	30	20	HKED	
COC1CCC(C)(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	471258069	OUHYJFUJAKFAAR-UHFFFAOYSA-N	421.541	5.048	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccccc3Oc3cc(F)cc(F)c3)o2)c1	471661297	BSDKERUTYJTDPQ-UHFFFAOYSA-N	404.376	5.291	30	20	HKED	
CC(C)(C)c1cnc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)o1	472380333	GPKTZXHLJQJZSO-UHFFFAOYSA-N	409.873	5.219	30	20	HKED	
C=C(C)[C@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1ccc(F)c(F)c1	478920105	FDSALBPRPOUDEP-IBGZPJMESA-N	406.860	5.260	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)CSc1ccc(C#N)cc1	483581036	DFBZCJNWKDWBIJ-UHFFFAOYSA-N	419.550	5.177	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C	483753744	GHIMMCNPLIUAEE-HSZRJFAPSA-N	419.525	5.168	30	20	HKED	
C=CCSc1ccccc1NC(=O)CNc1ccccc1NC(=O)c1ccccc1	486420061	RTBORARVBOFWHC-UHFFFAOYSA-N	417.534	5.268	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	486669323	DLNOQWHMSSTWAX-INIZCTEOSA-N	421.522	5.056	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N[C@@H](CCCC#N)c3ccccc3)s2)c(F)c1	487261539	AIOLACNBZAZWCX-FQEVSTJZSA-N	423.513	5.431	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	487605208	LSMPMAMAVJAFQM-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	488014197	LYCIUKDXBKARNA-WOJBJXKFSA-N	418.434	5.595	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)cc3C)o2)cc1	489795574	XOJRRMSDDXVJNA-INIZCTEOSA-N	409.511	5.038	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)c2)c1	491976533	IIAMRHTZDFFMRB-VXKWHMMOSA-N	415.880	5.206	30	20	HKED	
N#Cc1cccc(NCC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1	494473443	PEURFDWPSGCDGA-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccncc1	497075564	ALNBOLRYZOKUPU-QHCPKHFHSA-N	403.457	5.050	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl	498404489	PRIJXYHQRJNTRN-IBGZPJMESA-N	405.876	5.337	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	500106729	AMRBQSJYAZBFGS-JOCHJYFZSA-N	404.489	5.241	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1F	501111112	ZYWFEBNLIMRUAV-LBPRGKRZSA-N	413.503	5.235	30	20	HKED	
CC(C)OCc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1	501177391	JZDASINAUWNYHQ-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
COc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	501336155	SYJJODQZLWKDMK-GFCCVEGCSA-N	421.703	5.211	30	20	HKED	
CCC[C@@H]1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	503152508	ODSDLFVZWKXKEP-UKRRQHHQSA-N	400.466	5.245	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1	509586033	YHDGLZOJIFVBMM-UHFFFAOYSA-N	403.869	5.049	30	20	HKED	
COc1cccc(C2(F)CCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)c1	512163187	LDSSBOCVPHSWLG-UHFFFAOYSA-N	408.498	5.191	30	20	HKED	
CCCn1c(C)c(C(=O)[C@H](C#N)c2nc3ccccc3s2)c2cc(OC)ccc21	513686924	IOBIXDXTTCTCPJ-KRWDZBQOSA-N	403.507	5.468	30	20	HKED	
N#C[C@@H](C(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nc2cc(Cl)ccc2s1	515540012	AWCXXOUSVQYMOY-INIZCTEOSA-N	418.909	5.114	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	517508976	UUNSDTUEOXWBTK-QMHKHESXSA-N	411.461	5.197	30	20	HKED	
CCc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N(C)C)cc1	518255921	JXXQPGQMOJPYJV-UWJYYQICSA-N	410.587	5.068	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Br)cc1Cl	520036472	JWUDKKQYNJYSIJ-UHFFFAOYSA-N	420.738	5.096	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccc(F)cc3)CC3CC3)s2)cc1	522464649	VRKOWYFWOAKSOV-UHFFFAOYSA-N	420.513	5.189	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSC2CCOCC2)c1	522597920	IKRMPYCIWPZQQP-UHFFFAOYSA-N	423.582	5.415	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2)c1	523798409	NZFZPBMEGADCAM-HXUWFJFHSA-N	421.378	5.041	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2sccc2[C@@H]1C	524442495	NJBHKBHGCRFSPP-KRWDZBQOSA-N	417.534	5.658	30	20	HKED	
C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1	534489668	SZOJRSWOPWBBBP-UHFFFAOYSA-N	405.567	5.633	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1Cl	534897445	JVAVYUHJPUBIDO-JOCHJYFZSA-N	403.869	5.280	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3ccccc3)[C@H]3CCCc4ccccc43)o2)cc1	539325003	LEGCCFYRTUTCKL-AZGAKELHSA-N	420.516	5.559	30	20	HKED	
C[C@@H](NCc1nc2cc(Cl)ccc2n1C)c1ccc(-c2cccc(C#N)c2)cc1	541083943	BBJFTYUJJFTEGG-MRXNPFEDSA-N	400.913	5.616	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	541158583	HVMRNMMYWNGBPQ-DVECYGJZSA-N	405.542	5.277	30	20	HKED	
N#CCSCCCN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542124949	ZRVNBQRLTCYULC-GFCCVEGCSA-N	424.332	5.564	30	20	HKED	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(CC#N)cc1	542212168	FXDJCMLZGMPOME-MRXNPFEDSA-N	403.448	5.011	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cncc(Br)c2)cc1	543140090	JKSFPVNTDGBMFB-UHFFFAOYSA-N	410.290	5.057	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc(OCC2CC2)c(Cl)c1	543142511	GSBXLRKGWCVWOG-ZDUSSCGKSA-N	401.919	5.170	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N(Cc1ccc(C#N)cc1)C1CC1	543342211	UIXMEELPIXEBHW-UHFFFAOYSA-N	424.426	5.080	30	20	HKED	
C[C@@H](Nc1nn2cc(-c3cccnc3)nc2s1)c1ccc(-c2cccc(C#N)c2)cc1	543897017	LBPPFNMOLWXCOD-MRXNPFEDSA-N	422.517	5.565	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)c(Cl)c1	547627339	TXTVRUOPXVRLPS-UHFFFAOYSA-N	409.820	5.489	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cn(C)nc1C(F)F	556510505	KUTCQZLXWRZEBH-UHFFFAOYSA-N	401.301	5.027	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](COC(F)F)C2)cc1Cl	562100510	RSFRGCMMGKHIHE-KBXCAEBGSA-N	419.859	5.088	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	565859535	DYTLXJLUUOHWHX-LIRRHRJNSA-N	424.957	5.686	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)nc3)cc2)ccn1	570370524	XQRUFSMOGVYWNR-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(Br)cc1F	581757993	LEQPAAWJYFGBBW-JTQLQIEISA-N	401.201	5.329	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2ccncc2)cs1	604005487	YXFOJFHLFANMPY-AWEZNQCLSA-N	422.922	5.472	30	20	HKED	
Cc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccccc2)n1Cc1ccco1	604076566	TZVIRWGWHQGVRI-HXUWFJFHSA-N	400.507	5.122	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1	606773277	FEFTYYHQHAOTFF-LAUBAEHRSA-N	419.443	5.168	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c[nH]cc1-c1ccc(F)cc1	607887473	GGCCAQOCHDDEJR-VXGBXAGGSA-N	422.344	5.460	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2Cl)c1	609063024	QSHVHOSBTWQEMD-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccccc1OC(F)F	609388607	NJGSVTSPBWTWLO-CQSZACIVSA-N	422.522	5.554	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1	609398318	USXKTKDMJROKJI-AWEZNQCLSA-N	424.957	5.663	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Br)c1	609426832	JHUDGAXYDZEBLL-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1	609437051	MMAGOKOTEVWYHM-INIZCTEOSA-N	417.538	5.278	30	20	HKED	
CCc1cccc2c(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c[nH]c12	609459908	MMFLHKHXFOWRPT-RUZDIDTESA-N	423.516	5.233	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccco3)C2)cc1Cl	609553630	FEZXFWCGQZNFFO-PXNSSMCTSA-N	405.885	5.610	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1	609652371	RUTQTFYDIHQGAP-FQEVSTJZSA-N	416.525	5.125	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@H](c3ccccc3)c3ccccn3)c2)cc1	609990534	QFPNAFGMHIIICW-RUZDIDTESA-N	404.473	5.216	30	20	HKED	
Cc1cccc2c(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c[nH]c12	610152380	RYJQPDVOHVHVQN-UHFFFAOYSA-N	409.489	5.303	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(COCc2ccccc2)cc1	610184745	HLRDJDYAVDSLMF-UHFFFAOYSA-N	418.496	6.194	30	20	HKED	
C[C@@](CO)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	610507282	MYBCZEHXVVKYPO-URXFXBBRSA-N	419.912	5.025	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)s2)cc1	613292293	FLSCPCFEKSUBFJ-LJQANCHMSA-N	413.502	5.556	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(C#N)c1	614253658	MUNCGZUKOBNXFJ-BZNIZROVSA-N	415.337	5.241	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CCn2c3ccccc3c3ccccc32)cc1	615370521	MWERVMRGRFPDSI-UHFFFAOYSA-N	412.493	5.131	30	20	HKED	
N#Cc1ccc(CNCc2cnc(-c3ccc(Br)cc3)s2)cc1Cl	619748993	VMNQVSXGDHYZDT-UHFFFAOYSA-N	418.747	5.387	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)c(C)c1	622283174	RKDMQXPCDJNACH-GOSISDBHSA-N	415.543	6.041	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc2ccccc2n1	677793296	QOTZLTVTQAOUFO-OAHLLOKOSA-N	405.429	5.786	30	20	HKED	
Fc1ccc([C@H](NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ncc[nH]2)cc1	682131008	OTEPZFPLWKRZRT-JMSVASOKSA-N	409.349	5.137	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc2cc(Cl)ccc2s1	726323004	VRDQWSJNLAZRFU-GFCCVEGCSA-N	409.725	6.066	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@]3(C)CCCc4ccccc43)n2)cc1	726325883	VXCIUXPLVLLVER-CYFREDJKSA-N	402.519	5.289	30	20	HKED	
CCc1oc2ccccc2c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	727058443	NXZCLEHAMRQAJC-UHFFFAOYSA-N	419.506	5.242	30	20	HKED	
COCCCC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(Br)cc1	727254326	QDENTWVRIPAVGD-UHFFFAOYSA-N	416.241	5.106	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3ccc(N4CCOCC4)cc3)s2)cc1	727655531	XVNMLWGUHGALKJ-GHXNOFRVSA-N	404.535	5.160	30	20	HKED	
C#CC[C@@H](OC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccn1	727775174	APJKLHYPPOIPEL-GOSISDBHSA-N	416.424	5.074	30	20	HKED	
Cc1cc(Sc2ccccc2)ccc1NC(=O)NCc1ccc(OCC#N)cc1	727936336	OACZNDLBZXOULL-UHFFFAOYSA-N	403.507	5.370	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(N=Cc3cc4ccccc4nc3O)ccc21	729150868	ZKBKNNITLKXYCD-UHFFFAOYSA-N	403.482	5.379	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3C(=O)O)c2)c(F)c1	731562891	JTABAGQHXODREG-FMIVXFBMSA-N	406.409	5.008	30	20	HKED	
C#CCN(C(=O)Nc1cc(C)ccc1C)[C@@H]1CCOc2ccc(Br)cc21	733615587	TUMNRNSLGUVVGC-LJQANCHMSA-N	413.315	5.057	30	20	HKED	
C#CC[C@H](OC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccn1	733692856	NPCDIGSDMOPBQM-QHCPKHFHSA-N	405.881	5.164	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C3SCCCS3)cc2)c1	733774224	LKRGJWHTXAIGNQ-LJQANCHMSA-N	412.580	5.166	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(C)nn(-c3ccc(F)cc3)c2C)S1	744845181	LQFBMQZLIMPLGN-UDWIEESQSA-N	420.513	5.137	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C3CCCCC3)CC2)cc1	746807004	LPVJRKPDEMLTSV-RUZDIDTESA-N	416.569	5.261	30	20	HKED	
CC[C@H](C)n1c(SCC(=O)O[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1	748684334	KKGPTVJZVFOVQZ-IRXDYDNUSA-N	420.538	5.184	30	20	HKED	
CC(=O)N(c1nc(/C=C2/Cc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F	749006609	YXZGPFARWVFIIJ-QPEQYQDCSA-N	414.408	5.067	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1	750302637	LTOKRXMJCCLSMW-XMMPIXPASA-N	403.526	5.298	30	20	HKED	
N#CCCN(C(=O)CSc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	753850644	GMOSYDOAUGFKLI-UHFFFAOYSA-N	421.469	5.354	30	20	HKED	
Cc1ccc(OC(F)F)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1	756824131	SBTRCNBEIVFBEL-UHFFFAOYSA-N	408.861	5.016	30	20	HKED	
Cc1ccc([C@H]2C[C@H](OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CCO2)cc1	757522542	VZZMGFHHNCXKPS-DHIUTWEWSA-N	414.461	5.131	30	20	HKED	
O=C1/C(=C\c2cnc(C3CCC3)s2)CSC/C1=C/c1cnc(C2CCC2)s1	760264249	QYXJCVVDKKMOMX-DUGOVBPYSA-N	414.621	5.918	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2ccccc2F)cc1	767130482	GGKYSWOQQNLABI-UHFFFAOYSA-N	418.497	5.143	30	20	HKED	
Cc1nc(COC(=O)C(C)(C)Oc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	767634107	DHOAAQCVRRWQPP-UHFFFAOYSA-N	410.857	5.076	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)c2ccccc21	769541726	DCIMVJWAKGNYDI-UHFFFAOYSA-N	420.856	5.005	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCC(F)(F)F)c2)cc1	769943810	BJVZSWQVSDHXJA-AUUYWEPGSA-N	418.415	5.102	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771099273	QMACIMYOKFHUNB-JJEJIETFSA-N	424.497	5.188	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1NC(=O)OC(C)(C)C	772068610	VHDRNDZPMQCYQZ-UHFFFAOYSA-N	409.486	5.277	30	20	HKED	
N#C[C@@H](C(=O)C=C1CCSCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	772642913	ZUKLLVHLBXTGNW-AWEZNQCLSA-N	409.363	5.747	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(Cc4cccc(F)c4)CCC3)n2)cc1	774006049	KBQBBBNJJJEOOJ-HXUWFJFHSA-N	420.509	5.547	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)cc1	774049588	BFOIQNMAFRHEKS-GOSISDBHSA-N	402.416	5.050	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)c1ccc(Cl)cc1	777304446	SBZVFONXOOYZGR-KDOFPFPSSA-N	408.910	5.549	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)C2(c3cccc(Cl)c3)CCCCC2)n1	779198012	BWDNJPZXXFMMKY-MRXNPFEDSA-N	416.930	5.052	30	20	HKED	
Fc1cccc(C2CC(=NNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)C2)c1	781595003	VOMDZGVPSXQIIM-UHFFFAOYSA-N	401.367	5.042	30	20	HKED	
CC(=Nn1c(S)nnc1CSc1ccccc1)c1cc(Cl)c(N)c(Cl)c1	782239770	CPDFNCDXRVZIGY-UHFFFAOYSA-N	424.382	5.020	30	20	HKED	
CC1CCN(CCC[C@@H](NCc2ccc(OCC#N)cc2)c2ccc(F)cc2)CC1	788649834	UNKPKORATKLSEB-RUZDIDTESA-N	409.549	5.071	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nccc2ccccc12	792094793	GVCUSPONMXDQCO-MRXNPFEDSA-N	414.814	5.815	30	20	HKED	
Cc1nc2c(s1)C(=NNc1ccc(-c3cccc(C(F)(F)F)c3)nn1)CCC2	794980773	DVKQPRQXYIVLEP-UHFFFAOYSA-N	403.433	5.080	30	20	HKED	
CC(C)(CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)C(F)(F)F	796633863	PUXJOPQWEKBCDM-OAHLLOKOSA-N	404.388	5.105	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c(Br)c1	797572056	UGSWDLGJOIELKB-CQSZACIVSA-N	405.361	5.321	30	20	HKED	
N#CC1(CCCOC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CCOCC1	800125007	XWCPHZUBRZURJT-UHFFFAOYSA-N	409.448	5.161	30	20	HKED	
C[C@H](N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(OCC#N)cc1	802321482	XMIXIVJZGCEEJG-XOIKFVNTSA-N	423.988	5.507	30	20	HKED	
CC(C)n1ncc2cc(CNc3ccc(Oc4ccnc(C#N)c4)cc3)c(Cl)nc21	810167036	WMTNOMJDCXFXEL-UHFFFAOYSA-N	418.888	5.337	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1	812960146	FOZQAPAPYLPORK-CQSZACIVSA-N	418.324	5.696	30	20	HKED	
CCc1sc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1Br	815941527	FTLCLYGOONDOQC-VIFPVBQESA-N	409.305	5.312	30	20	HKED	
COC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1	912988933	WMXUHFGYULUJSD-CQSZACIVSA-N	411.527	5.201	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cc1	915085044	DQZUAZWKTNRYEW-JOCHJYFZSA-N	409.514	5.642	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(OC(F)F)cc3)n2)cc1	915099894	FWJUGGODNIRUCT-SFHVURJKSA-N	412.461	5.529	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1ccc2ccccc2n1	916848858	JGOFFDZQTMKRTG-SWLSCSKDSA-N	401.318	5.899	30	20	HKED	
N#C[C@@H](C(=O)COc1c(Cl)cccc1Cl)c1nc2cc(Cl)ccc2s1	917045996	FEZUGDVYZOYFAQ-JTQLQIEISA-N	411.697	5.512	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccccc2OCC#N)c2cccs2)cc1	919990496	YFNNYPSMDZRYSO-UZUQRXQVSA-N	404.535	5.683	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C	920105935	NWRDINIAVCGNLQ-FDDCHVKYSA-N	423.516	5.709	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cnn(C)c2)ccc1OCc1c(F)cccc1Cl	920833573	LLURUVDRZNOPQI-CLFYSBASSA-N	414.864	5.086	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccnc3SC(F)(F)F)cc2)cc1	921009648	CVZFCSNZJRLMNR-UHFFFAOYSA-N	415.396	5.610	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)c3ccccc3OCC#N)cc2Cl)cc1	921011614	ZYZTVMOKRPDZOF-UHFFFAOYSA-N	424.909	5.654	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)C(C)C)C2	1798591024	KUJSVKSMESOANV-KAOXLYBCSA-N	410.602	5.057	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3CCCCC3(F)F)C2)CC1	1806205119	WOBBVPAEQFLVFJ-LJQANCHMSA-N	424.576	5.036	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)CC1	1828827063	QXWWDLIEDIADHJ-SMIHKQSGSA-N	412.618	5.143	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(C)c2)cc1	10173518	UEDWQNUVUYFBPA-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1	11257737	BQBNNZVQBPMEEI-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1Cl	56661245	APUMTKTXHPCNJF-NZQKXSOJSA-N	416.912	5.759	30	20	HKED	
CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	63641547	ZKACFKGFIBJSLW-QGZVFWFLSA-N	413.477	5.301	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)cc1	65162425	BVRRKIMRMNPDIV-NRFANRHFSA-N	414.505	5.134	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)c2)c1	110688845	NZTHLKMKUQCFKF-UHFFFAOYSA-N	418.403	5.203	30	20	HKED	
C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	302166273	JPSBERZVXZOXKM-AWEZNQCLSA-N	404.401	5.031	30	20	HKED	
COC(=O)c1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	303402731	SABXDRWDMWBTQF-SFHVURJKSA-N	424.909	5.059	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1	410156107	WLDOVGMZXMJVET-LBPRGKRZSA-N	402.869	5.879	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)s1	430623034	GWJKCRJNFPPVJI-AWEZNQCLSA-N	418.444	5.135	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccc(COc2ccccc2)cc1)c1ccccc1	431815764	SIELTRMFTHKPKT-RUZDIDTESA-N	413.521	5.500	30	20	HKED	
CCOc1cc(Br)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433289069	NWTGVDURUKOVMS-QGZVFWFLSA-N	416.319	5.404	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Br)c1	437263383	ARXBZKKBCBZUGU-MSOLQXFVSA-N	403.707	5.014	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1	438045599	UJTBHWQZUAAHMG-MRXNPFEDSA-N	419.554	5.226	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	439395485	WGOQEUSNTBGUQS-JOCHJYFZSA-N	416.437	5.554	30	20	HKED	
CCc1cccc2c(C3CCN(Cc4nnc(-c5ccc(C#N)cc5)o4)CC3)c[nH]c12	441219744	RCFOJLWRPXHDTQ-UHFFFAOYSA-N	411.509	5.032	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](CN(C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1	442292516	MXWZYOHFBNODNI-NQIIRXRSSA-N	423.523	5.086	30	20	HKED	
N#C[C@]1(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CCc2ccccc2C1	442750539	GMLAIDXSFIIRRO-QFIPXVFZSA-N	410.304	5.170	30	20	HKED	
C=CCn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1ccccc1C	443418272	SBWPWMPYGJIDJL-UHFFFAOYSA-N	424.476	5.665	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OCC	443916604	BCRNDNDEAIKTBJ-SFHVURJKSA-N	419.525	5.233	30	20	HKED	
C[C@H]1c2ccccc2CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1	461497669	QBFCBIWMGDGHOL-KRWDZBQOSA-N	411.534	5.050	30	20	HKED	
CC[C@H](NC(=O)CCCC#N)c1ccccc1OCc1ccccc1Br	462076859	XQLCQFAVBSEBQT-IBGZPJMESA-N	415.331	5.289	30	20	HKED	
Cc1cccc(-c2noc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)n2)c1	463227588	HIDRSJWIIYXMDF-UHFFFAOYSA-N	400.413	5.460	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cs1	463747048	SEMSBECNXQNWJP-KRWDZBQOSA-N	402.306	5.420	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1	469220662	YVIJQWHNXSDZFW-UHFFFAOYSA-N	413.717	5.763	30	20	HKED	
C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1-c1ccc(Cl)cc1	470981545	CZVRZYXBWZUFFR-UTKZUKDTSA-N	413.908	5.438	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1C(F)(F)F	472354367	IOCXXKLTAOCVHR-UHFFFAOYSA-N	405.725	5.159	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(OCC2CC2)c1	472492736	CAWYJPMDVAFUQK-INIZCTEOSA-N	412.898	5.237	30	20	HKED	
COCCC1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCCC1	473669118	FDTCTDOOZDKUCH-UHFFFAOYSA-N	421.541	5.050	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)n1	474436048	UMFFDVJCMGEWHJ-ZDUSSCGKSA-N	413.934	5.114	30	20	HKED	
CN(C)Cc1ccc(-c2ccccc2CNC(=O)C[C@H](CC#N)c2ccccc2)cc1	474573168	FRMFSQFVDOGPFD-DEOSSOPVSA-N	411.549	5.119	30	20	HKED	
CN(c1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CCCC1	475025697	IWVXGXBKNRHBHM-FYYLOGMGSA-N	402.542	5.369	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@@H](c1cccc(Cl)c1)c1ccccn1	475325301	LFXCCSXNOUPGMY-QHCPKHFHSA-N	423.969	5.331	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	481709741	FYNYHSWBQUIFEK-MRXNPFEDSA-N	419.456	5.168	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCc1csc(-c2ccccc2)n1	482911419	DPHAZSHHHXRHNZ-UHFFFAOYSA-N	418.566	5.092	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)C[C@@H](CC#N)c3ccccc3)n2)cc1[N+](=O)[O-]	483133548	IERIFMVINDMVDA-MRXNPFEDSA-N	406.467	5.053	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCCc4c(Br)ccc(Cl)c43)cc2)CC1	484334173	VVLNLPPXJLFGBJ-UHFFFAOYSA-N	415.718	5.251	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3oc(O)nc3c2)cc1Cl	485706383	ACZFGUOFLSJSIH-QGZVFWFLSA-N	403.825	5.095	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1	486620504	MHLRTDQJZUNARK-UHFFFAOYSA-N	402.519	5.219	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccc2ncsc2c1	486874489	NTMBQTIFTVEVEV-INIZCTEOSA-N	412.518	5.395	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccc(Cl)cc1Cl	488819960	SFQVLOALUQPYPA-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
C=CCN(C(=O)C[C@H]1CCOC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	489488375	LIJHFCXMZGNKHL-GOSISDBHSA-N	404.535	5.423	30	20	HKED	
N#CC1(CCCNC2(Cc3ccc(Br)cc3)CCCCC2)CCOCC1	499560270	DRXGOJJFVNIUAF-UHFFFAOYSA-N	419.407	5.385	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C	502674932	LCSKNOVXLNSVMH-UHFFFAOYSA-N	417.553	5.893	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1	503629145	PCXIBZJLWKBZNK-UHFFFAOYSA-N	420.472	5.543	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	505355118	DLHZEDISOVMBBI-QHCPKHFHSA-N	423.472	5.224	30	20	HKED	
Fc1cc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2c(c1)COCO2	505863816	WVBOVHIZXZJLCC-MRXNPFEDSA-N	409.301	5.104	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(Br)c1Cl	506699403	BHXBUDRKMWBQOX-NVXWUHKLSA-N	403.707	5.014	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c1	506917232	LNNGGAAIFMAZJE-QGZVFWFLSA-N	413.346	5.072	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OC[C@@H]3CCCO3)n2)cc1	509535845	GSMSRLIUZLMVTQ-AZUAARDMSA-N	418.518	5.166	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1[nH]c2ccc(F)cc2c1Cl	510261396	WEJAQWLOQDSSOZ-UHFFFAOYSA-N	419.843	6.185	30	20	HKED	
C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510683162	QAHAWNBIZYNCBZ-IBGZPJMESA-N	406.530	5.127	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1	511955919	HIBGSRLSRPCLLO-ZWKOTPCHSA-N	404.407	5.518	30	20	HKED	
N#Cc1ccc(CSCc2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)cc1	512042452	UIAKWQUGWLYWIM-KRWDZBQOSA-N	407.392	5.452	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)sc2C)cc1	513653725	GXVBUPOTJAJMCQ-QGZVFWFLSA-N	404.516	5.832	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H](C)c1c(C)noc1C	513776082	ZQQAMKWEJAJHBY-INIZCTEOSA-N	405.473	5.338	30	20	HKED	
C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2S1	515600252	ZBQVKHHSADPWOG-INIZCTEOSA-N	404.491	5.261	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2)n1	515627816	LMRDHCNWMWAXHZ-UHFFFAOYSA-N	410.502	5.132	30	20	HKED	
C[C@H](NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccc(C#N)cc1	517345418	IRSXOLGZEBWHBC-OYHNWAKOSA-N	408.473	5.547	30	20	HKED	
COc1ccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1F	522571179	YOUQIHHSPFCSOW-UHFFFAOYSA-N	410.832	5.082	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	522641646	UXEKWPGLNXBYCK-UHFFFAOYSA-N	405.885	5.450	30	20	HKED	
Cc1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	524012337	RFOXRBODYOEUMC-OAHLLOKOSA-N	420.444	5.073	30	20	HKED	
C=CCC[C@H](NCc1cnc2c(cnn2C(C)C)c1)c1ccc(C(F)(F)F)cc1	533391987	ZHTIWODJVDDKTM-FQEVSTJZSA-N	402.464	5.828	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1	534192029	IBTPIROFWWABGF-UHFFFAOYSA-N	424.451	5.701	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)sc1Br	534693373	UVZGNZLTCGUABL-NSHDSACASA-N	419.325	5.133	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	536914664	IZSPDBMGHPOPHX-KRWDZBQOSA-N	400.482	5.499	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc1	537516346	OBKKJSGGYNPRSS-CTNGQTDRSA-N	423.513	5.074	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1	538534437	HYYBBOYQGUMRTI-HXUWFJFHSA-N	406.844	5.589	30	20	HKED	
CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	540672302	IVZWVFUYYNUMSN-PMACEKPBSA-N	401.432	5.055	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	541285010	UQRQXUYVAVGEQI-GFCCVEGCSA-N	421.931	5.373	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)CC1	541970312	YTTWFBDFIDIKPO-UHFFFAOYSA-N	404.445	5.324	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ncc(-c2ccccc2)o1	544467055	QOSTXXVXCALIGR-IRXDYDNUSA-N	420.538	5.025	30	20	HKED	
N#CCCC[C@H](N[C@@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccccc1	550826790	HIQTZESXXIGZTM-LEWJYISDSA-N	405.542	6.351	30	20	HKED	
C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	551591423	LFEDEAZYQXBFPK-VIFPVBQESA-N	414.214	5.038	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	560854898	JJSNGOSHFLIEAB-KRWDZBQOSA-N	406.913	5.650	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	562044472	FCCFOESMQMWZEO-FQEVSTJZSA-N	420.538	5.229	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1	562168446	GFJBLTWBRIETKX-UHFFFAOYSA-N	411.502	5.112	30	20	HKED	
N#Cc1csc(CN[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c1	574543334	WCBROGXWHDVWOF-LJQANCHMSA-N	401.304	5.401	30	20	HKED	
COc1cc([C@H](C)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)cn1	584798168	FUKQMYGBBRGOPC-ZUZCIYMTSA-N	410.333	5.592	30	20	HKED	
N#CCCCCCC(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1	588343834	MYNXBUXEKLYDPH-UHFFFAOYSA-N	414.431	5.516	30	20	HKED	
COc1ccc2oc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c(C)c2c1	603991555	MJBNCXVKEWAPFT-UHFFFAOYSA-N	414.486	5.701	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1sc2cccc(Cl)c2c1Cl	604342318	XEHNMVUCDQSWHY-UHFFFAOYSA-N	405.306	6.119	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccccc1OC	605364424	FAZIYVGYAKCLMD-MRXNPFEDSA-N	418.522	5.648	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(C)ccc1SCC(F)(F)F	605941755	FURRSTIVXXLBBV-UHFFFAOYSA-N	400.491	5.931	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSC[C@H]2CCCCO2)cc1Cl	608937940	OVZPFMYRQHWNED-UYAOXDASSA-N	414.958	5.236	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1	609427566	KKUNPALPDAMOCG-CQSZACIVSA-N	409.536	5.465	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N[C@H](C#N)c3ccccc3Br)sc2c1	609593311	URSDTDQJSZEEJS-CQSZACIVSA-N	419.731	5.620	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1F	610322737	NPGXZOTWZNJSJC-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
COc1ccc(NC(=O)[C@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Cl	610346283	RPHCCXGXXJAATE-WAIKUNEKSA-N	419.912	5.251	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C1CC1	611195153	RAXPZPOGKBLZDY-OAHLLOKOSA-N	416.485	5.434	30	20	HKED	
Cc1cn(-c2ccccc2)nc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	611358033	UITCUXPEEUGPJY-UHFFFAOYSA-N	407.477	5.041	30	20	HKED	
CCn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21	613405320	XZHWJESIQSYULM-CQSZACIVSA-N	413.424	5.780	30	20	HKED	
C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](c2ccco2)C1	669807274	CCJXLIXHDYURNE-GOSISDBHSA-N	417.538	5.150	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1	674042754	BRWRXDJYKUGPKS-HXUWFJFHSA-N	414.896	5.240	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nc2cc(F)ccc2s1	677564352	HSOCONWZMIHXPV-GOSISDBHSA-N	415.449	5.178	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678208194	NEJQQLUREDBSEE-ZIAGYGMSSA-N	423.376	5.191	30	20	HKED	
Cn1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c2ccccc21	726740647	NGCLBCLDUGDDTQ-YPKPFQOOSA-N	414.892	5.980	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)Oc1ccccc1C(F)(F)F	727065259	OQSAYZCXMGQWCL-NSHDSACASA-N	413.779	5.002	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)Nc2ccc(OC)c(Cl)c2)c1	728227714	UTKUOPVTQHIDML-UHFFFAOYSA-N	406.938	5.734	30	20	HKED	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCCCCC#N	728958191	WCUVBMLZHHGKBO-LJQANCHMSA-N	418.463	5.175	30	20	HKED	
COc1ccc(-c2ccc(C(=O)NCCSCc3ccccc3C#N)c(F)c2)cc1	730162344	RNMVKPJRBKLJAQ-UHFFFAOYSA-N	420.509	5.036	30	20	HKED	
Cc1ccc([C@H](NC(=O)c2ccccc2OCC#N)c2ccc(F)cc2Cl)cc1	730975044	VLVNHAGEQJPKJT-QFIPXVFZSA-N	408.860	5.209	30	20	HKED	
CN(C)[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	732269317	HTCFKMWFTZOCQC-DHIUTWEWSA-N	403.913	5.237	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2nc(-c3ccccc3)c3ccccc3n2)ccc1OC	733302446	VAKYDXFBZRXRRV-HXUWFJFHSA-N	424.504	5.598	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1	733800299	LTETZEAPXVBXRD-LJQANCHMSA-N	414.427	5.936	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccncc1	734663445	MPLVWMZNZKDILT-PKTZIBPZSA-N	407.464	5.260	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3c(F)cccc3F)n2)cc1	734966276	XIOTYMXIBLZXRZ-OWCLPIDISA-N	410.445	5.077	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	736955484	LAHNDKSFGYWRSI-UUOWRZLLSA-N	417.940	6.090	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccc(C#N)cc1	741844023	MPAAYOYHVJYGJQ-BENRWUELSA-N	424.416	5.117	30	20	HKED	
O=C(Nc1cccc(/C=C2/CCc3c(O)cccc3C2=O)c1)c1ccccc1Cl	742435652	WNENIZYBYRNZAW-SSZFMOIBSA-N	403.865	5.510	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)c2)c1	744028409	HZTJWNQKBVIJRK-JOCHJYFZSA-N	414.530	5.557	30	20	HKED	
COc1ccc(C(C)(C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	746660738	UIGOCTXURGKRCK-DEOSSOPVSA-N	413.521	5.450	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1cc(C)ccc1OC)[n+]1ccc(C(CC)CC)cc1	748293216	VXTNUKCOSODFKQ-UHFFFAOYSA-O	411.591	5.182	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C#N)s1)C(=O)c1ccccc1	748998187	LLTRGDMYMDEUBI-PXLXIMEGSA-N	414.530	5.650	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)OC[C@@H](C#N)Cc3ccccc3)cc2)cs1	750782316	HXHUSVBHOFGHES-GOSISDBHSA-N	408.548	5.283	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C[C@@H](C)c3ccccc3C2=O)cs1	751535292	IRTQUVVGZMIWCI-IZCBMXNHSA-N	406.482	5.740	30	20	HKED	
Cc1cc(CCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1Br	751838804	HSPGWHCNDFMMLW-AWEZNQCLSA-N	417.303	5.315	30	20	HKED	
Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1=S	751934534	RNECXXDYKQECCM-PMACEKPBSA-N	423.973	5.001	30	20	HKED	
COCCOc1ccc(C#N)cc1N[C@@H](C)c1ccc(SC(F)F)c(OC)c1	753770487	OSLMWHPHVSKAOT-ZDUSSCGKSA-N	408.470	5.080	30	20	HKED	
CC[C@@H](/N=C\c1cc(Br)cc(Br)c1O)c1c(C)noc1C	756848330	ZNIDOPDPKIDTTR-OABKPEDSSA-N	416.113	5.092	30	20	HKED	
Cc1cc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccccc2Cl)ccc1F	760490074	FVQRIVOWSNLVIF-XMMPIXPASA-N	422.887	5.138	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1	762635936	LUWSQMMSESABOA-UPVQGACJSA-N	424.504	5.297	30	20	HKED	
N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	764475438	MQZVGKAUMYACBC-LJQANCHMSA-N	401.535	5.022	30	20	HKED	
CCn1c(NC(=O)c2ccc(C3SCCCS3)cc2)nc2cc(C#N)ccc21	764510518	BIBSQGAANPOAMO-UHFFFAOYSA-N	408.552	5.049	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccccc3C)C[C@@H]2C)c1=S	765002407	ODTHSBMADXXHJK-PZJWPPBQSA-N	419.598	5.196	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	772957863	CBGWFMTUJGJQKO-MOPGFXCFSA-N	404.485	5.719	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	776838478	ZYQQGZHUWSOWGE-MRXNPFEDSA-N	405.350	5.220	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1	780152628	GGHXGRPWPSJLHH-IBGZPJMESA-N	422.488	5.142	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)nn1-c1ccc(Cl)c(Cl)c1	780157531	IIMHGZMXPCSDLA-ZDUSSCGKSA-N	415.280	5.031	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	780163213	KUOFLJPJXBVAOQ-CQSZACIVSA-N	410.832	5.815	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC=C(c4ccccc4)C3)c2)cc1	782557198	UTBXAWSPIOXNCA-UHFFFAOYSA-N	409.489	5.263	30	20	HKED	
C[C@@H](NC(=O)C(=O)Nc1ccc2ccccc2c1)c1ccc(-c2cccc(C#N)c2)cc1	782829134	GVRHZGYPGDVWLK-GOSISDBHSA-N	419.484	5.194	30	20	HKED	
Cc1nn(C(F)F)c(C)c1COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	784998133	UVBKCAYTXYJBLO-UHFFFAOYSA-N	415.371	5.055	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c[nH]c2ccccc12	786311864	NQBXPHADSQEQSA-KSSFIOAISA-N	419.937	6.315	30	20	HKED	
Cc1ccnc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c12	786312783	VUDUSDDWLZWJTR-CQSZACIVSA-N	418.305	5.181	30	20	HKED	
C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc2occc2s1)c1ccc(Cl)cc1Cl	787049265	KYDKWSVTWDBLLI-BXKDBHETSA-N	407.278	5.001	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1	793414352	QXYUEICXVIPFIA-UHFFFAOYSA-N	404.510	5.022	30	20	HKED	
N#CC1(CCCNc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)CCOCC1	798388786	SRGAZNNDHGBEIJ-UHFFFAOYSA-N	411.251	5.447	30	20	HKED	
CC[C@H](C)N[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccco1	806201493	YDRKGFRLDRCLHZ-OFAXGOBFSA-N	416.525	5.186	30	20	HKED	
N#Cc1ccccc1NC(=S)N1CCc2nc(-c3ccccc3Cl)sc2C1	806607614	LHUPHEKYPKLOKU-UHFFFAOYSA-N	410.955	5.090	30	20	HKED	
CC(C)(C)OC(=O)NCc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	814638574	UQAUKYNWTJKNIB-NRFANRHFSA-N	422.529	5.268	30	20	HKED	
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccsc2C(F)(F)F)no1	904919987	WOOKPPWDZUIXRR-SNVBAGLBSA-N	423.844	5.525	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12	915086313	JCHLSFKHIOTNOC-NRFANRHFSA-N	408.461	5.316	30	20	HKED	
CCOc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	915101430	AXVMDTADLKKALI-HXUWFJFHSA-N	406.507	5.244	30	20	HKED	
CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915354117	VVKSYTQZPAEQFS-IBGZPJMESA-N	407.876	5.798	30	20	HKED	
C=CCOc1ccccc1C(=O)O[C@@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C	915387172	LWNHTAVEQULNDD-LJQANCHMSA-N	421.415	5.090	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1ccc(C(C)C)cc1	916906887	KTUNRLAJXFDMCK-OAQYLSRUSA-N	408.567	5.374	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1Br)c1nc(-c2ccccc2)cs1	917026571	HWVFUZXLOYKNHC-MRXNPFEDSA-N	411.324	5.382	30	20	HKED	
Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccs2)cc1	1325686123	VTIATGUEWFYNRT-UHFFFAOYSA-O	412.947	5.192	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1	1790205806	LUGPZLMPNKDCJH-GOSISDBHSA-N	412.917	5.449	30	20	HKED	
CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)CC1	1790290337	TZTUYCLIDNVETH-OAQYLSRUSA-N	413.521	5.052	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1	1791730807	WYIRZTCMBNNDHI-QHAWAJNXSA-N	406.570	5.140	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1	1826265107	PSNVOYYZNKRCAK-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1	1831375155	NOOYAJOSOARZCW-RDPSFJRHSA-N	410.602	5.256	30	20	HKED	
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1	4516617	TZSXQCSYEYXWST-MZNJEOGPSA-N	419.550	5.544	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccccc2C)c1	11168217	KDGCAHRNRGYQBM-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	48824149	VBKYHVVHTQEGFC-FQEVSTJZSA-N	409.470	5.237	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2ccccc2)cc1	55823634	VRGLUOJOAZXASC-UHFFFAOYSA-N	400.478	5.129	30	20	HKED	
COc1ccc(NC(=O)[C@@H](Sc2cc(C#N)ccn2)c2ccccc2)cc1Cl	71918293	LYGXLPWRSRCPPM-FQEVSTJZSA-N	409.898	5.087	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3sccc3Br)c2)c1	236593643	KPWGABMEUBNAFW-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(OC(F)(F)F)cc1	303245773	ARILFBCZFORJLI-CQSZACIVSA-N	408.445	5.408	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccccc1Br)c1cccc(Cl)c1Cl	303414201	VSMUXOUXGCPXMA-HNNXBMFYSA-N	412.114	5.070	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)s1	303802711	AJVWVRKPUXBNQN-KRWDZBQOSA-N	419.550	5.298	30	20	HKED	
COc1cccc(NCc2nnc(S[C@H]3CC[C@@H](C#N)C3)n2C2CCCCC2)c1	430102496	FISMLLLJMPYDMY-UZLBHIALSA-N	411.575	5.188	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CO[C@H]1CCCc2ccccc21	430395894	RVEDSWYLVNUVKG-QHCPKHFHSA-N	413.477	5.087	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	431677911	XVISXVBEEORHDV-PKOBYXMFSA-N	418.006	5.152	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1	433137924	VVRKXLJWKHMJDV-XMMPIXPASA-N	410.477	5.907	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1F	434119702	PXILGXYZOHZHCU-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCC2)n1	435127865	FGNXKLKBXRKJGQ-UHFFFAOYSA-N	418.522	5.625	30	20	HKED	
CCN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1	438857905	NVKZSQCJNSTCSR-JXFKEZNVSA-N	403.448	5.843	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1	439296403	MPFJREMSTUBUTB-JOCHJYFZSA-N	401.514	5.221	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(Cc2ccccc2)no1	439647189	LTGXIAYPTOSZLO-MRXNPFEDSA-N	414.440	5.637	30	20	HKED	
N#CC1(CCCSc2nc3c(Cl)c(Cl)cc(Cl)c3o2)CCOCC1	440602174	XNXFLDBEQCDXBO-UHFFFAOYSA-N	405.734	5.981	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2nnc(CC)o2)c1	440603593	ZGVYULVOLWXKOZ-UHFFFAOYSA-N	417.387	5.135	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)nc2ccccc21	442622676	WGQPMJZSSOLUML-INIZCTEOSA-N	405.379	5.148	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)S[C@@H](C)c2cccc(C#N)c2)c(Br)c1	443158981	QVXWVUXJHAZQHY-UONOGXRCSA-N	403.345	5.451	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(C)C)cc1Cl	445027847	HOURGDMNPKKFBK-UHFFFAOYSA-N	403.866	5.256	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CSCc2ccccn2)c1	460332202	RTHZXEBWWXKNHD-UHFFFAOYSA-N	407.926	5.073	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	464165969	GLDHGCQYJJNTPI-GOSISDBHSA-N	400.478	5.062	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	464229201	GRKDVZGFAJXDOZ-MRXNPFEDSA-N	402.498	5.102	30	20	HKED	
CC(C)(C)[C@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	464711174	MYVUMRLYSUJJMV-KRWDZBQOSA-N	403.891	5.067	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)cs2)cc1	468112535	YCRZDFJNMBBUEB-NFBKMPQASA-N	409.555	5.001	30	20	HKED	
N#CCCn1cc(CN2CC=C(c3c(F)cccc3F)CC2)c(-c2ccccc2)n1	473120029	DJSMWQYVUJCLNI-UHFFFAOYSA-N	404.464	5.031	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1	473686241	NILCNSSRLPDCBR-UHFFFAOYSA-N	422.941	5.834	30	20	HKED	
C=CCn1c(S[C@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccccc1OC	477434217	SPGSNSUDNOAFIS-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1	479204739	LSNDRHGRDJQLSV-UHFFFAOYSA-N	417.925	5.206	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1	482339008	ZAIUWROCJKDVNA-OAHLLOKOSA-N	424.472	6.261	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	485280657	AZXUHXMAAMQWDQ-UHFFFAOYSA-N	405.542	5.848	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)n1	486242458	WGFSWMBRKKMQIA-CQSZACIVSA-N	408.552	5.699	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1nc(-c2cc(F)c(F)c(F)c2)no1	486551196	RRTZOLCWAUTWFG-NSHDSACASA-N	404.417	5.160	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C	488852951	KXEDVZZRJCFMFY-AWEZNQCLSA-N	406.910	5.282	30	20	HKED	
C=CCC[C@@H](C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1)c1ccccc1	489640960	TUVNNQHCGWVBTQ-QGZVFWFLSA-N	407.495	5.431	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cs2)cc1	499308632	RASCMVPFZFDYRI-UHFFFAOYSA-N	405.523	5.383	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501449584	KINBAYLEOSKCQA-KRWDZBQOSA-N	420.896	5.391	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)c2)cc1	501477130	LTVNBFOAPOCAPG-RTWAWAEBSA-N	416.443	5.639	30	20	HKED	
N#Cc1ccc(CC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)cc1	504046818	XDYYVEVTGMKXLG-UHFFFAOYSA-N	424.422	5.571	30	20	HKED	
CC(C)c1nc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2s1	509198888	ZVQNTLPFPFCRTB-UHFFFAOYSA-N	420.538	5.367	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2csc3ccccc23)cc1	510745159	JAVFINIHMPVLJA-UHFFFAOYSA-N	405.523	5.037	30	20	HKED	
Cc1ccc(/C=C/c2cc(C(=O)N[C@H](C)CC#N)c3cc(Br)ccc3n2)o1	512010486	PSYYDSCRQFUCBW-VUDGCMKMSA-N	424.298	5.101	30	20	HKED	
C=CCN(C(=O)CCCc1nc(C(C)(C)C)no1)c1nc(-c2ccccc2)cs1	512154328	MRZWISNJMQDNQN-UHFFFAOYSA-N	410.543	5.033	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1	515542340	UQZJYUOBGRAQOM-LJQANCHMSA-N	412.470	5.763	30	20	HKED	
Cc1ccc(SCCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	515675741	UXLMKCFNVHRHKM-UHFFFAOYSA-N	415.518	5.240	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)CNc1ccccc1SC[C@@H](C)C#N	516202143	OHPWUOSYQXBDDR-ZDUSSCGKSA-N	418.360	5.060	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)Cc1ccccc1Cl	517532570	MJZYBSWPBZMGJA-HNNXBMFYSA-N	401.963	5.877	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)c1ccc(C#N)cc1	518704813	NNAYFKNHMRDALX-XOBRGWDASA-N	412.331	5.222	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl	518739116	OSADVKYPUQKGNN-LLVKDONJSA-N	421.374	6.855	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	518870770	ITBXTLWOVCIUFC-JTQLQIEISA-N	409.244	5.885	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	518940925	BDNBFVWQGBVPCC-PMACEKPBSA-N	421.610	5.363	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(N(C)c2ccccc2)nc1	519427377	CJCVPTDWVCKNQN-KRWDZBQOSA-N	402.523	5.354	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2cscn2)c1	520924233	PUHUJXSUXXQKEE-OAHLLOKOSA-N	409.536	5.369	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	521061959	UGWOXKIOZOZEJJ-UHFFFAOYSA-N	409.917	5.025	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H](C)c1cccc(O)c1	522845993	MVEXNGOPDXYATC-KRWDZBQOSA-N	401.466	5.671	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)c3cnn(C(C)C)c3n2)c(C)o1	523960702	BOUCCMBWTZOKMA-OYLFLEFRSA-N	419.529	5.091	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCN(CC2CCCCC2)CC1	524565900	JGGHGHCEWBVBGE-LJQANCHMSA-N	414.619	5.058	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1	530447284	MJEUBEYNAWDMRI-IBGZPJMESA-N	406.448	5.412	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1C	534009006	ISIAGQMQIYXLSL-GOSISDBHSA-N	415.493	5.337	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	534753810	DQCOIVJOEJZPHR-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
CC(=O)N(c1nc(CN(CC#N)C2CCCC2)cs1)c1c(C)cc(C)cc1Cl	535212794	WLYZVUISWFURAN-UHFFFAOYSA-N	416.978	5.366	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	538043165	CUTGTZGJOKSTAJ-FXAWDEMLSA-N	412.518	5.300	30	20	HKED	
C[C@H](NCc1coc(-c2c(F)cccc2F)n1)c1ccc(-c2cccc(C#N)c2)cc1	541085774	KHYDYCKFOCKKMP-INIZCTEOSA-N	415.443	6.009	30	20	HKED	
C[C@@H]1N(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCC12CCOCC2	544532563	JWXLHCQWKQAGPG-INIZCTEOSA-N	410.901	5.035	30	20	HKED	
Cc1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(-c2ccccc2)o1	546074357	SQFHQKTUXBLQAQ-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
C[C@@H](Nc1cnn(CC(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	548031363	OGBRMORMNXROQO-MRVPVSSYSA-N	405.264	5.656	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(CC#N)CC1	549702502	QGFPTQKWKRWUQV-LJQANCHMSA-N	415.541	5.277	30	20	HKED	
COCC[C@@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1	551570552	VKNRGMSLHMHSTN-BFUOFWGJSA-N	406.313	5.003	30	20	HKED	
C[C@@H](CC(F)(F)F)NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	556441661	FRYBMQBJJQWIIQ-QMMMGPOBSA-N	410.280	5.207	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(F)(F)F	558747317	SKDGPVUXAJKYRT-MRXNPFEDSA-N	409.839	5.705	30	20	HKED	
N#C[C@H](C(=O)c1cccc2cccc(Br)c12)c1nccc2ccccc12	560595779	ICQMAGHAPQHJMW-SFHVURJKSA-N	401.263	5.641	30	20	HKED	
C=CCOc1c(Br)cc(CN(C)[C@H](CC)c2ccncc2)cc1OC	564327326	YTFBJYRTWHVEFO-GOSISDBHSA-N	405.336	5.001	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)CC2)cc1	573334128	YONOJILKYCMYOK-UHFFFAOYSA-N	420.900	5.138	30	20	HKED	
O=C(NCc1ccc(F)c(Cl)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	586520125	LFEQHEIKICVIAO-URLYPYJESA-N	420.756	5.188	30	20	HKED	
CC1(c2ccccc2)CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1	589363432	NRDGTSPACVLXEF-UHFFFAOYSA-N	412.493	5.331	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C2CC(c3ccc(F)cc3)C2)cc1	590078273	KORVWHBNTOGTPP-UHFFFAOYSA-N	414.480	5.603	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1	590477836	CRZTUMTXXLGYLP-UXHICEINSA-N	418.566	5.064	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1Cc2ccccc2S1	603533187	RWLHYSIPLZBTAL-HSZRJFAPSA-N	402.494	5.256	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	603755241	YUFICXWXJYGPPR-RBUKOAKNSA-N	418.434	5.908	30	20	HKED	
Cc1ccnc2sc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c(C)c12	603765472	VSVUSYSXFARYPG-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604047805	VPWFZVDXUGCACT-KRWDZBQOSA-N	419.912	6.060	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	608917966	GVFZBOMQFSMZAZ-SFHVURJKSA-N	418.566	5.671	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1OC	609068009	DQZGZLAQYMWVCE-UHFFFAOYSA-N	424.831	5.253	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1)c1ccccc1	609109418	MLQUQBKLKGTPHR-CLOONOSVSA-N	410.521	5.339	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)CC(C)(C)C	609191912	CDTPVOZHTZSXCU-OAHLLOKOSA-N	419.978	5.405	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1	609427621	SYTKETMRFDIVJA-AWEZNQCLSA-N	409.536	5.465	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)cc1	609428203	DREXFPGUVAFZNN-KRWDZBQOSA-N	405.523	5.616	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N)CCC2	609555408	JEZGQSKPASQILP-DYVFJYSZSA-N	400.573	5.245	30	20	HKED	
N#C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc(Br)cc1	609588879	VJQUKQQCGIPMAS-LJQANCHMSA-N	419.278	5.272	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cs1	609589262	TZGTYCZSASQBCA-AWEZNQCLSA-N	418.305	5.120	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1Br	609593705	DZNQNAPGUYUTSY-OAQYLSRUSA-N	421.294	5.023	30	20	HKED	
CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	610408253	QCALZTLDOLVERI-DKTYTTGXSA-N	419.525	5.138	30	20	HKED	
CC(C)(CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccncc1	611260208	YRSJLWVASFHUDN-UHFFFAOYSA-N	405.885	5.107	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc(CC(=O)N2CCc3ccccc32)cc1	611482630	RIXADZNQJQYEPI-RUZDIDTESA-N	407.517	5.180	30	20	HKED	
C=CCOc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613403998	IROMJULSRDMPNM-CQSZACIVSA-N	402.397	5.370	30	20	HKED	
Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Br	618448338	VYHLEUNMEQLGIX-NXEZZACHSA-N	408.155	5.151	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1Cl	619770639	JHANRNBUDJSPJX-AWEZNQCLSA-N	424.751	5.082	30	20	HKED	
FC(F)C(F)(F)COCc1cccc(NCc2ccccc2CC(F)(F)F)c1	630063357	ZGZCCOLALXDNRK-UHFFFAOYSA-N	409.345	5.821	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3sc4cccc(Cl)c4c3Cl)nc12	674300042	XCZNFPLJFJUNBN-SECBINFHSA-N	401.278	5.278	30	20	HKED	
CC(=O)Nc1cccc(COC(=O)c2ccccc2Sc2ccccc2C#N)c1	725911328	DUJQHZPRYVKSIG-UHFFFAOYSA-N	402.475	5.025	30	20	HKED	
N#C[C@H](C(=O)C1(C(F)(F)F)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	726322844	ZKCBKSSSRPKWJR-SNVBAGLBSA-N	405.228	5.636	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCOc3ccccc3C2=O)cs1	728441410	JNDLYAJWTXVBQW-NTCAYCPXSA-N	424.909	5.530	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)c1	730173095	VCSYQMAENDEYBC-NRFANRHFSA-N	410.445	5.339	30	20	HKED	
C#CCOc1ccccc1OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	730510074	XWPXSUQCHFZMNH-UHFFFAOYSA-N	416.260	5.199	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccccc1	730685509	JGDGYWQYBODLPB-DVECYGJZSA-N	412.514	5.855	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccc1Br	733265894	BWPQKZBSQFUEOG-CYBMUJFWSA-N	405.704	5.312	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2nccs2)c1	737317321	WCJHYEWXDGCZCF-LJQANCHMSA-N	419.506	5.021	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(F)ccc2SCC(F)F)c1	738955125	PMLGMPQENZGQBH-HNNXBMFYSA-N	423.460	5.186	30	20	HKED	
Cn1nc(-c2ccccc2)c(CNCc2cccc(-c3ccc(C#N)s3)c2)c1Cl	740011138	JPIDZVPPGGXADM-UHFFFAOYSA-N	418.953	5.630	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	742454256	BWUCJPIBXDCJGK-MAUKXSAKSA-N	408.548	5.489	30	20	HKED	
CCCCCCCCOCc1cccc(NC(=O)N2CCC3(CCOCC3)C2)c1	743128464	YERAWFXZNFXZJU-UHFFFAOYSA-N	402.579	5.598	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCC=C(C)C)c1	744029792	VPIRIKVBEFNWEN-QFIPXVFZSA-N	404.510	5.118	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744035726	VHCCLRYLWSCSSC-IFXJQAMLSA-N	412.917	6.048	30	20	HKED	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	748948248	QZTBYMFZZPPILO-DEOSSOPVSA-N	415.493	5.246	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Br)c1OC(F)F	750906929	STSPIFHTCBYCOE-AATRIKPKSA-N	401.203	5.247	30	20	HKED	
CC(C)(C)OC(=O)NC[C@H](NCc1cc(C#N)cs1)c1ccc2ccccc2c1	761331316	RHPXGGUEXUSBCW-NRFANRHFSA-N	407.539	5.129	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c1	762219037	WQFVGNCQJQOGFM-HPKGMJOESA-N	422.834	5.283	30	20	HKED	
CCc1cnccc1C(C)=NNc1ncnc2scc(-c3ccc(OC)cc3)c12	765570005	ORZKYKQQMBEFFX-UHFFFAOYSA-N	403.511	5.160	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)c1	766327683	VZEPEVNZVXUFBK-HXUWFJFHSA-N	415.518	5.334	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CN[C@H](CC(F)(F)F)c2ccccc2C)cc1C	769990440	MLWVCLJLQLJVCZ-OAQYLSRUSA-N	417.475	5.142	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)ccc1OC	772985672	LWZDZZCGTPRPNQ-WMLDXEAASA-N	408.420	5.126	30	20	HKED	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2ccc(C3(C#N)CC3)cc2)cc1	777316650	DTLAJYPQRNBTSB-UHFFFAOYSA-N	402.475	5.083	30	20	HKED	
C[C@@H](c1ccccn1)N(C(=O)c1ccc(C#N)c(Cl)c1)c1ccc(N(C)C)cc1	777771322	SMGRLZMQACIMJT-INIZCTEOSA-N	404.901	5.081	30	20	HKED	
CC(=O)Nc1ccccc1CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	779596375	UXNHQGOCRIPHHS-UHFFFAOYSA-N	405.885	5.361	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1	780669520	HHBWNDQXLOEUKN-JLTOFOAXSA-N	411.914	5.603	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](CSC)c2ccc(C(F)(F)F)cc2)c1	781905372	NUXZWYKLANHUOG-UYAOXDASSA-N	408.489	5.580	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1ccc2ccccc2c1)c1ccc(-c2cccc(C#N)c2)cc1	782829135	GVRHZGYPGDVWLK-SFHVURJKSA-N	419.484	5.194	30	20	HKED	
COC[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2	784956823	SZLQPBSHZLVSEE-FXFXYLOPSA-N	418.880	5.070	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1	789450001	BAHULUDJIIDFKZ-QGZVFWFLSA-N	407.514	5.378	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)n1	790110406	RPAWBSKJBRBKHA-QFIPXVFZSA-N	423.969	5.052	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nccc2ccccc12	792100475	DYJSPCZPIFVHBM-QFIPXVFZSA-N	407.473	5.473	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)s1	797568629	UKIVOOIHGQKMKR-HNNXBMFYSA-N	415.971	5.636	30	20	HKED	
N#Cc1ccc(CN(Cc2ccc(Cl)nc2Cl)c2ccc3nc(O)[nH]c3c2)cc1	801522895	DRCDQTKOHBDRBX-UHFFFAOYSA-N	424.291	5.049	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1	803834164	SSLIMEBINDYBJX-UHFFFAOYSA-N	420.877	5.198	30	20	HKED	
O=C1/C(=C\c2ccc(-c3nc4ccccc4s3)o2)C[C@@H](C(=O)O)c2ccccc21	806561771	ZTBPWBJENXUPGQ-QAAVPBIRSA-N	401.443	5.395	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1cc(C(F)(F)F)ccn1	813218374	VGHUHAPNPFOQLK-SGQUHAKNSA-N	400.400	5.311	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](CCc2ccccc2)c2ccccc2O)c1	815593841	ZCBKDYXIZQUETF-RCZVLFRGSA-N	400.522	5.537	30	20	HKED	
Cc1sc(C2(NC(=O)Cc3ccccc3CC#N)CCC2)nc1-c1ccccc1F	819343064	VXNIZDKXNYKDQO-UHFFFAOYSA-N	419.525	5.062	30	20	HKED	
COc1cc(CNCc2cccc(OCc3cccc(C#N)c3)c2)ccc1OC(C)C	915678878	XYVORQWHVZSUTE-UHFFFAOYSA-N	416.521	5.223	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccccc1	916848376	JYBIPDRUEMTRPH-RJYQMNAMSA-N	404.469	5.660	30	20	HKED	
CC[C@H](C)c1ccc(OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1	916856335	NBLDCHWZWZJWLK-INIZCTEOSA-N	419.481	5.142	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1nc(-c2ccccc2)cs1	917025858	RDYMJJRPTXRRHP-LJQANCHMSA-N	416.477	6.018	30	20	HKED	
CCOc1ccc(-c2nnc(S)n2N=Cc2cc(-c3ccccc3)cs2)cc1	917542914	YJXJDOXQNXKSAY-UHFFFAOYSA-N	406.536	5.243	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(C(C)C)cc2)cs1	917558985	BREANNKGPCVFTJ-RAXLEYEMSA-N	408.498	5.986	30	20	HKED	
C#Cc1cccc(NC(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c1	918541491	JNJHIOVPGMALGO-UHFFFAOYSA-N	404.489	5.074	30	20	HKED	
C=CCOc1ccccc1CN(C(=O)CCc1nccs1)c1ccc(C)c(C)c1	919985844	MGSLKPKAQXGCNT-UHFFFAOYSA-N	406.551	5.491	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COC(c1ccccc1)c1ccccc1	920106085	RIHSTLXVOIMBTH-QFIPXVFZSA-N	422.484	5.174	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3nc4ccccc4s3)n2)cc1	920139595	VPQRCVKLFGIQJC-BLIJAFNYSA-N	417.515	5.318	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920142578	QTQVBGTZANYSQC-DNVCBOLYSA-N	403.532	5.180	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)no3)cc2)CCC1	1790162375	LXUNMRJOIAGWGS-FQEVSTJZSA-N	421.541	5.314	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](C)Oc3ccccc3)cc2)CCC1	1791146511	IJIQKXCREFMLCG-UXHICEINSA-N	420.553	5.190	30	20	HKED	
N#Cc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1	24439228	VLGIDAKDTWYEFE-UHFFFAOYSA-N	424.304	5.034	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1	48852515	ASQMJPIRABFQCS-CQSZACIVSA-N	405.816	5.481	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	63391584	IFIAYDDEVSCHTF-UHFFFAOYSA-N	422.416	5.141	30	20	HKED	
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(OCCCC#N)c2)cc1	72085557	LPWANIRWQCHBFS-DEOSSOPVSA-N	413.477	5.149	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC3CCN(C4CCCCC4)CC3)c2)c1	237853343	SHKMHEKPEPYAGL-UHFFFAOYSA-N	403.570	5.024	30	20	HKED	
C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	302166274	JPSBERZVXZOXKM-CQSZACIVSA-N	404.401	5.031	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N(C)Cc3ccc(C#N)cc3)s2)cc1	303278326	JJHQCMFPSWGALQ-KRWDZBQOSA-N	404.539	5.201	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2cc(F)ccc21	409537014	LWXOMPFDHKYLEG-LJQANCHMSA-N	421.285	5.112	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)c1ccccc1	430617749	OTSJAXVDVJSGRW-GOSISDBHSA-N	417.534	5.491	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C	431254247	GSPMDNLXRIHXBX-UHFFFAOYSA-N	407.289	5.196	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	431815177	VEDAEFMGRUVPGT-BWKNWUBXSA-N	418.585	5.295	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	432289091	LCGARCNZYLLVDE-UHFFFAOYSA-N	416.428	5.331	30	20	HKED	
Fc1cc(F)c(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	436400910	MOMFQVLRVGLFOL-OAHLLOKOSA-N	401.272	5.906	30	20	HKED	
C=CCOc1ccc(CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc1Cl	436401918	YNMZGNJNOAHUKT-UHFFFAOYSA-N	424.850	5.358	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3C[C@H]3Cc3ccccc3)c2)cc1	437740058	AZAZQBXKHZQOFY-RDGATRHJSA-N	411.505	5.084	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(F)c1	438610117	BWRLKQPMTPDJOW-UHFFFAOYSA-N	404.283	5.150	30	20	HKED	
CCN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1	438857906	NVKZSQCJNSTCSR-OXJNMPFZSA-N	403.448	5.843	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1Cl	439412086	PGCJAPFMCUFHNT-JOCHJYFZSA-N	411.892	5.725	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(NC(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1	441550334	JJXNTHMLEOPRIH-IBGZPJMESA-N	419.447	5.236	30	20	HKED	
Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1C1CC1	441796287	OWKZLSPXHDLYAO-UHFFFAOYSA-N	411.461	5.114	30	20	HKED	
C=CCN(C(=O)c1cc2cc(Br)ccc2[nH]1)c1nc2c(s1)CCCC2	444460671	LVDAHUKSPRXHDT-UHFFFAOYSA-N	416.344	5.099	30	20	HKED	
CC(C)[C@H](NC(=O)CS[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2	447053251	AELOPMZWPRLMBS-XDHUDOTRSA-N	424.566	5.027	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C(F)(F)F)nc3C)n2)cc1	464184451	LYNYUFLMIUMIFY-LBPRGKRZSA-N	423.441	5.093	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ncccc1OCCCC#N	466602773	YRMMSAHSUSAMAO-AWEZNQCLSA-N	406.408	5.008	30	20	HKED	
C[C@@H](CCC#N)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1	470442982	ZLVTYIXYAXXWHM-ZDUSSCGKSA-N	417.332	5.133	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H](c1ccccc1)N(C)C	471141941	ZVHYWJUVWNMXCE-MHECFPHRSA-N	415.562	5.131	30	20	HKED	
O=C(Cc1ccc(F)cc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474261733	BZRSQDRNVPETLL-OAHLLOKOSA-N	411.292	5.336	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)s2)cc1	474426957	NFWDCXIHPFRWQB-MRXNPFEDSA-N	411.552	5.587	30	20	HKED	
Cc1c(F)ccc(Cl)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	474901329	SNIFFUANGGXLEV-UHFFFAOYSA-N	408.860	5.685	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1Cl	474966827	DSOBKSQZTNJCQV-IEBWSBKVSA-N	423.944	5.381	30	20	HKED	
CC(C)n1c([C@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)nc2ccccc21	476139277	GVJGINHYONPAGD-JOCHJYFZSA-N	400.526	5.396	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	476370061	NSTQGRUQYGMQRX-AWEZNQCLSA-N	422.381	5.458	30	20	HKED	
C=C(C)CN(C)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	477626092	ZDCPSACCDHHVGB-UHFFFAOYSA-N	405.420	5.306	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1cccs1	481373116	MRSZORKPMWWQMC-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
C=C(C)[C@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(F)c(F)c1	481608475	LNISTUJUZIBKAW-SFHVURJKSA-N	409.358	5.441	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(Cc1ccco1)c1ccccc1C#N	482188778	XEBMJXSDUGTBDV-CQSZACIVSA-N	415.276	5.459	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	482924988	DYIUAYGMZKXKNB-KRWDZBQOSA-N	401.466	5.151	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21	483362264	YBODGWCBOLEYBM-RDTXWAMCSA-N	413.518	5.501	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1	483453507	HFWUKBHUSHMGTQ-JOCHJYFZSA-N	420.900	5.259	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1	484772020	OPRRAROGTFKBSF-RUZDIDTESA-N	418.537	5.234	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1ccc(C(F)(F)F)cn1	489894724	ZIKLABXJJIZBPW-ZDUSSCGKSA-N	411.305	5.107	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NCc3cc(C#N)ccc3Br)cc2)cs1	492773648	PPOBKARGVMOHIV-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
CC1(C)CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496325106	JIYXTCQEMCCVOT-UHFFFAOYSA-N	408.449	5.031	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(COCc4ccco4)c3)CC2)cc1	503625041	DOLFKDSOZRHPNM-UHFFFAOYSA-N	413.477	5.189	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)nc(-c2ccc(Cl)cc2)n1	505383599	AUYAWDBMPCODAE-IRLDBZIGSA-N	416.912	5.017	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4c(C)ccnc4[nH]3)c3ccccc3n2)cc1	506001351	GWSFDYXVCPKBFW-HXUWFJFHSA-N	417.472	5.280	30	20	HKED	
C=CCn1c(C2CCC2)nnc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	508810976	FYJNIAQWHMKSQW-UHFFFAOYSA-N	421.372	5.224	30	20	HKED	
COCCN(Cc1ccco1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510044992	NERDJXRLWQFPSB-OAQYLSRUSA-N	423.900	5.269	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)cc1Br	510830170	NHJAOKCYPAIACO-GFCCVEGCSA-N	403.345	5.570	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(F)(F)F)c1	512849678	AZTFWEYRGHRZQT-KBXCAEBGSA-N	407.461	5.814	30	20	HKED	
C=CCOc1c(Br)cc(CNC(C)(C)c2c(C)noc2C)cc1OCC	513111974	QHZGJHJNKHQYRX-UHFFFAOYSA-N	423.351	5.042	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nc2ccccc2s1	513687264	OXSKABXCPMFYSL-GOSISDBHSA-N	424.481	6.112	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1	513727948	POVUUYQHCUWLDW-UHFFFAOYSA-N	414.795	5.543	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(C)nc3cc(Br)ccc23)s1	515711390	LSHNWKVUQMMPJD-UHFFFAOYSA-N	400.301	5.054	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2nc(C)c(C)nc2c1	516237697	ZTGPYNCVKIWPMP-UHFFFAOYSA-N	408.461	5.471	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)C2CCCCC2)cc1Cl	517896681	OBSVYWDMAKWWBF-RBBKRZOGSA-N	411.933	5.058	30	20	HKED	
CCc1ccccc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	518147375	MGJZNOJGSGOEDU-AWEZNQCLSA-N	421.488	5.713	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1	518239445	DCFNRBWSIDQTJH-MRXNPFEDSA-N	421.591	5.948	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1	518259572	NHKHWGPQLFEQPS-CQSZACIVSA-N	405.470	5.346	30	20	HKED	
CCCc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1	518320202	ACIAJBXZBLLWOQ-LJQANCHMSA-N	402.416	5.002	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1ncc(-c2ccccc2)o1	520928750	GBWJLTNPEHULSK-KRWDZBQOSA-N	405.523	5.697	30	20	HKED	
Cc1ccc(Cl)c(S(=O)(=O)N(Cc2ccco2)c2ccccc2C#N)c1Cl	521135265	IHZHCHXQNDRKSR-UHFFFAOYSA-N	421.305	5.162	30	20	HKED	
Cc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC(F)F	524458493	CUULTFWVOVXGIZ-ZDUSSCGKSA-N	419.497	5.238	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCCc3cc(Cl)cc(F)c32)o1	524624818	INXYLLOXTVXVIS-UHFFFAOYSA-N	410.832	5.116	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1	524850945	ICHOSXPVWLEHQP-UHFFFAOYSA-N	419.978	5.458	30	20	HKED	
C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccc(F)cc2)O1	525093169	WUVIEYVHVVXPRG-XDHUDOTRSA-N	416.452	5.092	30	20	HKED	
C[C@@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1	530436269	HLVYHHYZQLKRMQ-OPAMFIHVSA-N	406.327	5.350	30	20	HKED	
COC(=O)[C@@H](N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1cccc(C#N)c1	530723330	WDCDHOHAUQXEGA-HJPURHCSSA-N	404.441	5.055	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)o1	530826999	WFCYWZADWCJSQU-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
Cc1nc2ccccc2n1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	531361023	SBIWUVVGSCEFPV-FQEVSTJZSA-N	414.896	5.292	30	20	HKED	
N#CCCn1cc(CNc2cccc(OCc3cscn3)c2)c(-c2ccccc2)n1	532728552	VJSBADDHEOZKOR-UHFFFAOYSA-N	415.522	5.111	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	533131961	KGXHLSFUFZJIMW-UHFFFAOYSA-N	406.511	5.292	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)OCC	534418013	FRDLYRXPOVHWMY-IBGZPJMESA-N	420.431	5.268	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1nc(C)c(-c2nc3ccccc3n2C(F)F)s1)OCC	535211515	OIDWVYCSGSUMQP-OAHLLOKOSA-N	420.485	5.173	30	20	HKED	
COCC1(C)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	538024971	YCFIFWHBOAYTSP-UHFFFAOYSA-N	413.905	5.284	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(COc2ccccc2)cc1	538032984	VFOPKRWONJRVGI-LOSJGSFVSA-N	411.505	5.569	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C2CCOCC2)cc1Cl	538619755	QZTLMESBXNLHKV-FYYLOGMGSA-N	423.944	5.418	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4cccs4)o3)n2)cc1	543059035	MTWXFXGNCGNXHM-OAHLLOKOSA-N	406.488	5.630	30	20	HKED	
Cc1sc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)nc1-c1ccc(Cl)cc1	544471277	NINNZRHLJOPRSR-UONOGXRCSA-N	424.957	5.321	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1	551001296	YKNVHFXTAXNSOW-SFHVURJKSA-N	402.519	5.281	30	20	HKED	
C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	560622024	KDVHXFMOHGAEJW-QGZVFWFLSA-N	409.464	5.145	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)COc3cc(Cl)ccc3Cl)cc2)ccn1	564520878	JYEYZVSWBYYKEU-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
COc1cccc(Oc2ncccc2CNCc2ccc(C#N)cc2C(F)(F)F)c1	566884198	DMPVKSCXWJHMRL-UHFFFAOYSA-N	413.399	5.063	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cc(C#N)c2ccccc2n1	570756844	AUENSOHHLGZVAK-UHFFFAOYSA-N	410.911	5.506	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCn4c(cc5ccccc54)C3)c2)cc1	572629885	UXYCHLUMAMGJNJ-UHFFFAOYSA-N	422.488	5.743	30	20	HKED	
Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1SCCC#N	580337838	WTTXQFFCVASBRW-LJQANCHMSA-N	423.582	5.185	30	20	HKED	
C=CCCCCCN(C)Cc1nc(O)c2c(-c3ccccc3Cl)csc2n1	581635955	BEIRJJUPBILJFM-UHFFFAOYSA-N	401.963	5.896	30	20	HKED	
CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCCCCC#N	588922829	CTCYVQSSVRDVQM-UHFFFAOYSA-N	417.859	5.008	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	589740172	LUWSQPSEIHWFSQ-BETUJISGSA-N	410.358	5.236	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)s2)c(C)c1	592974097	NROWIVFRWKYCMB-MRXNPFEDSA-N	421.522	5.974	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(-n4nccc4-c4ccccc4)c3)[nH]c12	605363132	KLSFPBLIEUKWMO-OAQYLSRUSA-N	417.472	5.214	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1C	610054212	BVIDBUGQWXSIRJ-UHFFFAOYSA-N	404.473	5.184	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)c2)cc1	610325236	NKSWMWJJUTXJPS-GOSISDBHSA-N	415.493	5.166	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)N[C@H](C)c3cccc(C#N)c3)c2C2CC2)cc1Cl	610363200	DIUVLEMYZPCHGF-OAHLLOKOSA-N	404.901	5.074	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCc2ccc(C#N)cc2F)cc1	610402364	JLDCCXKEFNKRGO-QGZVFWFLSA-N	417.484	5.276	30	20	HKED	
CCc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-]	610468033	IVROAWUNQKSNOX-ZDUSSCGKSA-N	419.384	5.276	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccc(Cl)cc1	613292805	XQTBCQNTGQOGFR-IBGZPJMESA-N	414.896	5.687	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3COc3ccccc3)n2)cc1	613318308	XIIFWUVSFJGYBX-HXUWFJFHSA-N	414.486	5.781	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1	620551908	CZRKTDLLFBUUNI-UHFFFAOYSA-N	411.571	5.165	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)s2)cc1	642280914	INBKEBVFMBZSCP-OAHLLOKOSA-N	405.504	5.227	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1cccc(OCc2ccccn2)c1)c1ccccc1	676416828	VMEPIQGKYTUVNU-DEOSSOPVSA-N	401.510	5.167	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1	726940361	GYBPAWHIXPSDPP-UHFFFAOYSA-N	403.429	5.492	30	20	HKED	
Cc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	728120177	VPJISGMPWABJGB-KRWDZBQOSA-N	405.523	5.698	30	20	HKED	
C#Cc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)nc1	728805989	XJRQLIWXWYMCDJ-UHFFFAOYSA-N	409.514	5.076	30	20	HKED	
CC(C)n1ncc2cc(/C=C3\Cc4c(ccc(Cl)c4Cl)C3=O)c(Cl)nc21	729151291	QHLMJLGZAKYSSF-BJMVGYQFSA-N	406.700	5.795	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2Cl)cc1Br	730434764	SPLQHFGGVIGGLM-DAXSKMNVSA-N	411.679	5.024	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(Cl)cc1	730955050	SSFHQNKFIFTCEW-UHFFFAOYSA-N	415.893	6.173	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	731139329	QTCIENIMYOMXPC-DOTOQJQBSA-N	408.473	5.775	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	736955116	FJVLQWJMRPVYLW-MOADCYBESA-N	413.496	5.891	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	743877320	OUGNOMQLDGOIIN-MIDMBNTASA-N	416.546	5.486	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)o1	745820890	MHXCUVJERBKSAG-ZNLUXHQJSA-N	409.530	5.206	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(-c3ccc(C)cc3)s2)ccc1S(C)(=O)=O	747061365	IQIFYKVRSKTIOG-LUAWRHEFSA-N	412.532	5.032	30	20	HKED	
Cc1noc(C)c1[C@H](C)C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	750399220	ZFYUOAKBXYRZFN-SDDDTGCVSA-N	409.555	5.196	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	751143300	WUYBQGNKTCRESG-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
COc1ccc(-c2ccc(C=NOc3ccccc3C(F)(F)F)o2)c([N+](=O)[O-])c1	754724644	MTVNBGKXSLBJAZ-UHFFFAOYSA-N	406.316	5.295	30	20	HKED	
C#CC[C@@H](NCc1cc(Br)c(OCCC)c(OC)c1)c1ccccc1	756995357	GXADQDOEFVSRHH-LJQANCHMSA-N	402.332	5.101	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)CCCC2)[n+]1ccc(C(CC)CC)cc1	759051518	PKKXREIZQSIPGM-UHFFFAOYSA-O	419.614	5.191	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C(C)=C\c1cccc(Cl)c1	759206290	LVANCXMIGVWPOZ-VXXVJXPCSA-N	417.292	5.061	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCc4c([nH]c5ccccc45)C3)c2)s1	759455497	CCBGVLZJFREBPM-UHFFFAOYSA-N	412.518	5.036	30	20	HKED	
CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C12CCC2	764057063	YNMFLXJMWPBHTJ-RJGXRXQPSA-N	403.526	5.153	30	20	HKED	
CC(C)CN(Cc1ccccc1Br)C(=O)Nc1cccc(OCC#N)c1	765927632	PXAAVCPQJZVGCC-UHFFFAOYSA-N	416.319	5.042	30	20	HKED	
COc1cc(C#N)ccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	766078548	WLXIYEBMRAGOSH-UHFFFAOYSA-N	419.095	5.231	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c(OCc2cccnc2)c1	766492145	VHHWWJKUXAFJEV-NTMALXAHSA-N	422.484	5.627	30	20	HKED	
COc1ccc([C@@H](OC(=O)Cc2ccc(OCC#N)cc2)c2ccc(Cl)cc2)cc1	766514721	KPCPLELFKLRCGU-DEOSSOPVSA-N	421.880	5.126	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1	766622611	JPXUXSDOYXVKKV-UXPWSPDFSA-N	404.938	5.143	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(Cl)c(Cl)c2O)ccc1OC	775521315	UXFQTJCOXNHJLS-WMLDXEAASA-N	423.340	5.629	30	20	HKED	
CC(C)Oc1cc(Br)cc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1	780019698	RFYMSNRXTYZNEQ-ZDUSSCGKSA-N	418.291	5.171	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	780671530	SBQHNIXQISTBGJ-RDTXWAMCSA-N	403.404	5.365	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(F)(F)F	782187533	CHUBBYFIDWYCLU-QHHAFSJGSA-N	415.751	5.094	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc(N2CCCC2)cc1	782233781	GFZGGGALCBJPBI-AWEZNQCLSA-N	419.472	5.297	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCC=CO1	783635280	FBFZXTIGHXPBEU-RYUDHWBXSA-N	421.259	5.137	30	20	HKED	
O=C1/C(=C\c2cc(-n3ccnc3)cs2)CC/C1=C/c1cc(-n2ccnc2)cs1	783698326	YFDDKQICWASRCP-DUGOVBPYSA-N	404.520	5.011	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(N2CCCCC2)cc1	786956483	FQMVFMYACJDKJP-HXUWFJFHSA-N	416.569	5.433	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	788362105	JKOUHSUAWMNGCI-ZDLGFXPLSA-N	413.864	5.071	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1	790333206	XVYRQNYNOPHLMQ-UHFFFAOYSA-N	422.406	5.256	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790778474	IGYDOJJUBMLQRD-UHFFFAOYSA-N	422.529	5.298	30	20	HKED	
C[C@@H](Cn1ccc2ccccc21)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	796902350	CAZOOLJJBYHECT-HOCLYGCPSA-N	421.472	5.556	30	20	HKED	
Cc1ccc(Cn2nc(C)c(/C=C3\C[C@@H](C(=O)O)c4ccccc4C3=O)c2Cl)cc1	806562098	FWTOAXGKAIBXSM-KDHISYJLSA-N	420.896	5.040	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)cc2)ccn1	810284782	WWKDUHBUUGSFPN-OAQYLSRUSA-N	404.857	5.378	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Br)c(F)c1)c1nc2cc(Cl)ccc2s1	810535221	HQVPCOGFIRCLQL-NSHDSACASA-N	423.694	5.270	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)CC1(C#N)CC1	815965842	DPKYOPMNRJFGOG-GFCCVEGCSA-N	405.317	5.179	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1	915598648	ZRZDPAFQJKNZOM-FQEVSTJZSA-N	409.258	5.496	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl	916937550	HBADRMASYJUNAF-IBGZPJMESA-N	410.901	5.357	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1	920348307	HLXIJJRJQRMRPS-UHFFFAOYSA-N	402.841	5.038	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	920805375	CSCNMPVFLPIXSP-LBPRGKRZSA-N	416.474	5.298	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	921137181	UVYUSIVEOVTVHV-WFASDCNBSA-N	400.425	5.282	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1	1819556878	PMWSDTJYRVYYEM-YADARESESA-N	412.578	5.141	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1	1820800485	RQOSKNWMWUFAMA-LJQANCHMSA-N	400.567	5.141	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1C1CC1	21163506	ZIDQBNQRUNEMSA-HXUWFJFHSA-N	404.539	5.122	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	25101328	NUHWEFGHPNXGNH-UHFFFAOYSA-N	421.840	5.184	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1cccc(C)c1	26037687	ZURUEIAUQVBTGZ-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc([N+](=O)[O-])c1	55465286	GYIZWKBBROCXIW-HNNXBMFYSA-N	403.463	5.109	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)c1	55723612	NIXLQAYHSJFASM-UHFFFAOYSA-N	401.388	5.017	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccnc2)nc2cc(-c3ccccc3)sc2c1=O	60427256	KGWWYSNUHWPSDZ-OAHLLOKOSA-N	405.548	5.559	30	20	HKED	
COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cs1	60767668	UMSXLYHRBDUPGF-MRXNPFEDSA-N	417.515	5.432	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1C(F)(F)F	63403442	NIFWUPAAXJTPFP-CQSZACIVSA-N	407.392	5.072	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(OCCCC#N)c3)c2C)cc1	108734563	XKGNIZVHOTYLPX-UHFFFAOYSA-N	403.482	5.038	30	20	HKED	
CCOc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl	303578551	ZSGPYPXWAFBXPY-AWEZNQCLSA-N	418.305	5.401	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C(C)C)cc1OCC	409513212	LXCKRDZVVJPABP-SBUREZEXSA-N	409.530	5.113	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NC(=O)N(CCC#N)Cc1ccco1	426124683	UJXYRQVQYACBLG-UHFFFAOYSA-N	412.287	5.452	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)n2Cc2ccco2)cc1	430092937	DCZWERNIXHGLKU-JXFKEZNVSA-N	406.555	5.668	30	20	HKED	
CC(C)(C)n1cc(C(=O)Nc2ccc(C#N)cc2Cl)c(-c2ccccc2Cl)n1	430370298	RYLSWDNFVLSYBV-UHFFFAOYSA-N	413.308	5.736	30	20	HKED	
N#CCC1(CNC(=O)c2ccccc2SCc2ccc(Br)cc2)CC1	431156251	KBSGLIKILJQWHH-UHFFFAOYSA-N	415.356	5.165	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	431215770	ICMWIZKCSHZFBX-SFHLNBCPSA-N	422.598	5.255	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2s1	435190846	KAIZXFJKHXTZHX-BEFAXECRSA-N	410.930	5.562	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H](c2ccccc2)CO1	437382976	FYRBLTRNSFTVMG-CLOONOSVSA-N	412.489	5.147	30	20	HKED	
N#CCCn1cc(-c2csc(N[C@@H]3CCOc4ccccc43)n2)c2ccccc21	437663405	WURWULHHPPGALG-LJQANCHMSA-N	400.507	5.614	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)N(C)Cc2cccc(C#N)c2)n1	440306005	USWZIDJICNEPGQ-UHFFFAOYSA-N	423.904	5.124	30	20	HKED	
C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cc1nnc(-c2ccc(C#N)cc2)o1	441058870	CECBIDSNCFZLLX-AFMDSPMNSA-N	420.516	5.187	30	20	HKED	
CC(C)c1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	446519601	VGRJDVFZAXERCB-UHFFFAOYSA-N	417.440	5.190	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C	446892896	QALCNMQKWAYKML-LJQANCHMSA-N	421.419	5.295	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H](C)C[C@H]1c1ccccc1F	460775790	ANSXSRAZLHCBEN-XXBNENTESA-N	420.532	5.298	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	463108429	WIVCPFPQUNTFFQ-PERKRYKHSA-N	407.514	5.366	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N(C[C@H](C)C#N)C1CC1	467285122	YBJYMTWFZIKQCG-CQSZACIVSA-N	410.905	5.057	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)sc1-c1cccc(Cl)c1	468647206	IDRVFSATQXICNX-DENIHFKCSA-N	414.958	5.444	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cn(CCCC#N)c3ccccc23)cc1	469486618	XAEOFXZKEWUJBS-PXDATVDWSA-N	415.537	5.151	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C	471254660	WFDYEVOUGFCPPX-KBXCAEBGSA-N	403.404	5.464	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1(C)C	473622049	FYUPVXGVEKVMAD-BEFAXECRSA-N	424.928	5.371	30	20	HKED	
C=CCCC1(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CC1	474431892	LRQHWESLVNJAEV-NRFANRHFSA-N	418.537	5.180	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccccc1F)c1nccn1C	475547544	OMBNMWBLWRWUOR-QFIPXVFZSA-N	406.505	5.322	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C	478869178	VIEISOBKJOSINO-QGZVFWFLSA-N	404.489	5.016	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cs1	479292709	PFBBRAZUWYUTMK-JOCHJYFZSA-N	403.507	5.287	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	480255655	BHYFXBMFSJCVNL-FOIQADDNSA-N	405.889	5.012	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1ccc(OC(F)F)cc1	481369377	IUBFSPFMPPGGIL-HNNXBMFYSA-N	417.481	5.498	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(Br)cc2)nnc1-c1ccccn1	481391554	PVPYPGHSOJOEFH-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1cnc2ccccc2n1	483213879	MRTUKTFINDYVOU-HXUWFJFHSA-N	416.440	5.442	30	20	HKED	
Cc1ccc2c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)csc2c1	483442940	SJZKWLBYUAVLQJ-AWEZNQCLSA-N	419.531	5.289	30	20	HKED	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1	483544361	NQPOGCGEHPAMHQ-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
N#CC[C@H](CC(=O)N(c1ccccc1)c1ncccc1Br)c1ccccc1	483794970	RFSNLHFSMYNKRL-GOSISDBHSA-N	420.310	5.596	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](c1ccncc1)c1ccc(Cl)cc1	483858695	FBHBVRZZGWPWMQ-HXUWFJFHSA-N	411.292	5.513	30	20	HKED	
Cc1c(C(=O)N[C@H](CCCC#N)c2ccccc2)oc2c(Br)cccc12	487427271	IQQXJKPFWBJKSX-GOSISDBHSA-N	411.299	5.669	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1	487605389	HSJPABKBAYJNIN-QFIPXVFZSA-N	414.505	5.636	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1	488382945	WXUDYABCLBJZSR-OAQYLSRUSA-N	403.482	5.215	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2C)o1	488808896	LQPUJBQNNDNHNT-UHFFFAOYSA-N	411.552	5.362	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)c1ccccc1)C(C)C	489641939	OWBKZQVRNWUQQT-QFIPXVFZSA-N	407.539	5.043	30	20	HKED	
N#Cc1ccc(Br)c(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c1	492606279	JKKYRBREHNHIBA-MRXNPFEDSA-N	401.201	5.243	30	20	HKED	
CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	496448138	OKFVMYUYGFXQTQ-QHCPKHFHSA-N	421.953	5.337	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl	497440531	GWGMPLHIEGVUMG-NSHDSACASA-N	404.825	5.240	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1	505686027	JYFBPFGWFBMTHV-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
COc1cc(CN2CCC(C)(C#N)CC2)ccc1OCc1cccc(C(F)(F)F)c1	507714237	NSHDBKAIZRAGFY-UHFFFAOYSA-N	418.459	5.419	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cc(C)c(O)c(C)c2)cc1	508260191	QVQCSOJZHUXHOK-UHFFFAOYSA-N	417.465	5.003	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CCC[C@@]12CCCCO2	509659534	URLJEPLUKGJWHQ-FPOVZHCZSA-N	418.415	5.033	30	20	HKED	
C[C@@H](Cc1cccs1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511318939	IDZLNHATGXSTFR-KRWDZBQOSA-N	405.523	5.146	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SCCC#N)sc2nc(C(F)(F)F)ccc12	518649753	OUJZXVYUWAUTSQ-UHFFFAOYSA-N	421.469	5.882	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1cccc(Cl)c1Cl	519486532	NMXREVMNQNMARF-FMKPAKJESA-N	424.125	5.240	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(F)c(C(F)(F)F)c1	520012229	OETXELYMHSECBB-UHFFFAOYSA-N	415.346	5.464	30	20	HKED	
C[C@H](Cc1cccc(Br)c1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	520045901	VXWDMILCTGNTRM-CQSZACIVSA-N	400.320	5.003	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(C#N)cc1	520432566	BDUTXRIWVBZCGR-HNNXBMFYSA-N	424.932	5.157	30	20	HKED	
CCOc1ccc(Oc2cc(CNc3nc(C(F)(F)F)ccc3C#N)ccn2)cc1	522409293	OSZUGZNSZJIVLX-UHFFFAOYSA-N	414.387	5.170	30	20	HKED	
CN1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21	522586536	OEHGCIHDXWSEOQ-UHFFFAOYSA-N	403.869	5.101	30	20	HKED	
COc1ccc([C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C2CC2)cc1	524490258	CUQZKPGHPZIXTB-RUZDIDTESA-N	412.489	5.027	30	20	HKED	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	524597924	YEKSJIQIMHSISQ-QGZVFWFLSA-N	404.539	5.447	30	20	HKED	
Cc1cc2cc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)oc2cc1C	525860699	HSEWANOYMDPOIB-OAHLLOKOSA-N	417.490	5.129	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)C1CC1	533139434	BDFYZGZALBSPKO-CYBMUJFWSA-N	404.392	5.049	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)OCC	534396085	MDDKBJORUNPJHP-GOSISDBHSA-N	408.420	5.227	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3csc([C@@H]4CCCO4)n3)c2C#N)C1	534463976	QAPHWBQITLPBQV-LRDDRELGSA-N	415.584	5.331	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	534771527	GPNOMPGFHUIYJQ-AVRDEDQJSA-N	407.583	6.431	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	539745460	JIRQBSOOILXGPL-PMACEKPBSA-N	401.432	5.055	30	20	HKED	
C[C@@H](NC(=O)c1cnc(-c2cccnc2)s1)c1ccc(-c2cccc(C#N)c2)cc1	541998674	WSQUORUCVVXVSC-MRXNPFEDSA-N	410.502	5.235	30	20	HKED	
C[C@@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccc(-c2cccc(C#N)c2)cc1	542051708	LYBQTBZWBIPRGD-OAHLLOKOSA-N	402.523	5.120	30	20	HKED	
Fc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1OCC(F)(F)F	542700182	NXERZNWNVAXBOH-UHFFFAOYSA-N	413.255	5.084	30	20	HKED	
Cc1nc(NC(=O)c2cc(Cl)ccc2SC2CCCC2)sc1SCC#N	543469659	AFNPRKZDJXZZEA-UHFFFAOYSA-N	424.016	6.008	30	20	HKED	
CC(C)N(C)CC1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	543943709	NQXPCFWZGZVUCD-FQEVSTJZSA-N	418.585	5.048	30	20	HKED	
CSc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1	544281663	YHKPYFGQSIRTOY-UHFFFAOYSA-N	406.486	5.049	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(Cc3c[nH]c4ccc(F)cc34)no2)c2ccccc21	546454222	LYGPVFNPKOLYFP-RMKNXTFCSA-N	411.440	5.320	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)c2)nc1-c1ccccc1	547977038	PCWKAOJWXWKQLO-HXUWFJFHSA-N	419.912	5.967	30	20	HKED	
Cc1cc(-c2noc([C@@H](C)Nc3ccc(Oc4ccnc(C#N)c4)cc3)n2)ccc1F	564559757	QLTPBYSXLVUXCB-OAHLLOKOSA-N	415.428	5.416	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	565397546	JLDWVJAZIBTULT-UHFFFAOYSA-N	400.463	5.151	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2	574182583	YDDZSZPYRAPIIC-QFBILLFUSA-N	423.538	5.221	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@@H](C#N)c1ccc(F)cc1	575776171	BDCAIFFIZIDPJY-INIZCTEOSA-N	404.228	5.091	30	20	HKED	
CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	575960122	ZDWFIHQNQIFCMJ-HSZRJFAPSA-N	400.482	5.607	30	20	HKED	
Cc1ccc(C(=O)N2CCC(Nc3c(C#N)cnc4c(Cl)cc(C)cc34)CC2)cc1	580265070	ACXCXEKTYOKPFW-UHFFFAOYSA-N	418.928	5.093	30	20	HKED	
CCCN(C(=O)CCCCCC#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	588817331	ZBLRVAJXKXCRPF-UHFFFAOYSA-N	410.370	6.334	30	20	HKED	
COC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1	588996143	YKUDMCWBCXFKRY-KDOFPFPSSA-N	403.935	5.243	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1	601139004	IDOVFFUVDUDUON-HXUWFJFHSA-N	423.944	5.176	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC	603764211	IEXNOGOTAMQZDG-UHFFFAOYSA-N	423.856	5.059	30	20	HKED	
CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cn(CCC#N)nc1-c1ccccc1	603940692	RBKYAEOZJBEGTO-QFIPXVFZSA-N	419.916	5.094	30	20	HKED	
C=CCn1c(SCc2c(C(=O)OC)sc3ccccc23)nnc1-c1ccco1	608845728	ZXPJWXXDOYUGLR-UHFFFAOYSA-N	411.508	5.018	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1cccc(OCc2cccc(Cl)c2)c1	608882468	OPZBVNPJXDUEGN-UHFFFAOYSA-N	421.884	5.249	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cs1	608937449	XVLFRAJYINXCNI-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c(F)c1	609252022	ATPFBALCRZQGSU-UHFFFAOYSA-N	416.481	5.220	30	20	HKED	
Cc1ccc(Oc2ccccc2NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	609496649	SLQKNJAYWZQGHW-UHFFFAOYSA-N	421.456	6.099	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccco2)c2ccc(Cl)cc2)c1	609499119	QYGYIRZVLQUILZ-UHFFFAOYSA-N	408.885	5.587	30	20	HKED	
C[C@@H](c1nnc(S[C@H](C#N)C2CCCCC2)n1-c1ccccc1)N1CCCCC1	609648705	REYYMJCAHPMHCY-GHTZIAJQSA-N	409.603	5.379	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	610174466	ZEGDSLZDSXGJEB-RTWAWAEBSA-N	418.443	5.466	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	610220339	BPPXKYCAFKRQSL-AWEZNQCLSA-N	411.458	5.180	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	610275644	CEMUJZAXCLKOAB-QWRGUYRKSA-N	407.745	5.327	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612805915	RPWAOXCGLFQYKD-HUUCEWRRSA-N	408.386	5.294	30	20	HKED	
CC(C)(C)n1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C1CC1	613319618	JBHZVOWJXMFHJE-INIZCTEOSA-N	424.957	5.782	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)c1nc2c(s1)CCCC2	623331684	GTYUULSCESDETQ-UHFFFAOYSA-N	424.591	5.900	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1sc(-c2ccccc2)cc1C#N	673556944	QRYKEOJMPMFRDT-UHFFFAOYSA-N	414.486	5.725	30	20	HKED	
O=C(c1ccc(CCC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	676874220	HHGYDWXHCQVMNN-CHWSQXEVSA-N	421.303	5.384	30	20	HKED	
C[C@H](C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c(F)cccc1F	677856295	REGXIIWMQRVWNU-GUBZILKMSA-N	403.313	5.094	30	20	HKED	
C[C@@]1(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCCc2ccccc21	726327442	ALXLVPPIDYNSFA-NPMXOYFQSA-N	408.473	5.559	30	20	HKED	
COc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCC2)cc1	726329936	VONQXVIAYRVJTK-INIZCTEOSA-N	424.472	5.395	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cccs2)cc1Cl	726446680	DAFNDHNVWACXOH-UHFFFAOYSA-N	403.985	5.734	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1cnc(-c2ccccc2)s1)C(=O)c1ccccc1	727263572	DJXZHUREZROGEF-STZFKDTASA-N	411.486	5.110	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc1	727764243	XDWOYCCKUPDGLA-DEOSSOPVSA-N	416.546	5.096	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3ccccc3C2=O)cs1	728440997	BTALPEDLDASTTL-GHRIWEEISA-N	404.491	5.185	30	20	HKED	
CC(C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1	728690084	ZQTBGUKUNDWHIR-UHFFFAOYSA-N	417.484	5.528	30	20	HKED	
Cc1ccccc1COc1ccc(C(=O)/C=C/c2nccn2CC(F)(F)F)cc1	728697187	FCEFCNQDLXQFEY-ZHACJKMWSA-N	400.400	5.229	30	20	HKED	
Cc1sc(CNCc2ccc(N(C)CCC#N)cc2)nc1-c1ccc(Cl)cc1	729680474	PJQGWGIYTOGMLP-UHFFFAOYSA-N	410.974	5.412	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1ccccc1OCC#N	730201892	DVONSMUFLDYAFC-CYBMUJFWSA-N	411.914	5.165	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730685588	AJFSNOADKILLBB-MCIONIFRSA-N	407.684	5.098	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(Cl)c(Cl)c1	730993549	AXSIXHOSBUFKOD-UHFFFAOYSA-N	420.243	5.665	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)[nH]c1C	732063244	ZOEAEXOZUZWANC-UHFFFAOYSA-N	409.449	5.005	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	733626289	RGXDDMMKSORQTO-UHFFFAOYSA-N	416.437	5.563	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)C)c2cccs2)ccc1OC	733646466	LWDOBYKEOYWVBL-QZTJIDSGSA-N	415.559	5.024	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(-c2ccncc2)cs1	734082091	WYFUJZTXAWTCEU-INIZCTEOSA-N	409.561	5.174	30	20	HKED	
C=CCCCCCN(C)Cn1nc(-c2cccnc2)n(-c2ccccc2C)c1=S	739885657	PTYNGNJJZTUKCP-UHFFFAOYSA-N	407.587	5.409	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037602	ANRULTZECPBCSX-MLGOLLRUSA-N	420.431	5.899	30	20	HKED	
N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	747108102	LSFGLCJHAOOZSZ-SFHVURJKSA-N	414.864	5.043	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(C#N)cc1	748684289	JXKBDNQQMBOUPB-GFCCVEGCSA-N	414.248	5.365	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(C#N)s4)nc(O)c23)s1	748999583	RMPRXAKJKLWUOY-MLPAPPSSSA-N	415.952	6.104	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1F	752038568	GPQXRSMAOHNDLD-RXVVDRJESA-N	423.488	5.085	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2nc(C(F)(F)F)cs2)cc1OCC	752765666	ZTRUGRMSEZFGOG-UHFFFAOYSA-N	422.856	5.554	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Cc3ccccc3Cl)n2)cc1	754531886	XGQNTUSUJGGAPD-KSSFIOAISA-N	410.926	5.527	30	20	HKED	
C=C(C)[C@@H](C)OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	755987971	IADZHNGDQWWNSY-KGLIPLIRSA-N	414.552	5.193	30	20	HKED	
COC1CCC(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1	759037364	WLAKBAAGFFEJNL-UHFFFAOYSA-N	400.466	5.245	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	760797779	YIRBZNGYQWIPMJ-UHFFFAOYSA-N	403.438	5.003	30	20	HKED	
C[C@@H](OC(=O)c1cccc(CC#N)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761088006	DSJFVNWARWHMKM-LLVKDONJSA-N	402.237	5.027	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccc(F)cc1OCC#N	761663213	KOBIYASKSABGPT-CQSZACIVSA-N	410.474	5.043	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1	765612270	LEYRXYAPIXDFQH-SFHVURJKSA-N	420.494	5.277	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	766238498	UIZDFAXQYDOVJY-CJNGLKHVSA-N	411.274	5.191	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)on1	768155266	XMHCIZLJQUJMHI-OAQYLSRUSA-N	419.550	5.568	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2ccc(Cl)c(Cl)c2)ccc1OC	772978856	IAUQTDSAQDYYKN-LPHOPBHVSA-N	407.341	5.924	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCSc3c(Cl)cccc32)ccc1OC	772981295	ZADLOCHLVDFKOJ-QAPCUYQASA-N	402.947	5.356	30	20	HKED	
CCCN(CCc1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	775487102	HXNNZYYITVLMAQ-QHCPKHFHSA-N	403.551	5.890	30	20	HKED	
N#CC1(c2ccc(COC(=O)Cc3csc(-c4ccc(Cl)s4)n3)cc2)CC1	777138678	AVEFHWWRICICGL-UHFFFAOYSA-N	414.939	5.366	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1Cl	777489842	OUVPZJXWJGBZAN-GFCCVEGCSA-N	422.337	5.089	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1	780673085	NLPOYNVLUYXZAB-MRXNPFEDSA-N	420.900	5.887	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl	780675627	RWGRWERSQBKRMA-HUUCEWRRSA-N	401.869	5.009	30	20	HKED	
CO[C@H]1Cc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2C1	784224769	ORZDVYYRYPYSBE-FQEVSTJZSA-N	400.503	5.075	30	20	HKED	
CCCn1c(C(=O)[C@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc2ccccc21	786930699	RYPIUASJPVPBHS-FQEVSTJZSA-N	401.510	5.137	30	20	HKED	
N#CCCn1cc(/C=C2/CCc3c(sc4ccccc34)C2=O)c(-c2ccncc2)n1	788356158	RMNWNBXRQBSDLO-VKAVYKQESA-N	410.502	5.286	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)c1Br	791772146	XFEXJYTVTNNONJ-SFHVURJKSA-N	421.294	5.180	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1c(C)nn(C(C)C)c1C	794980429	BMWOXGIODQWPGK-UHFFFAOYSA-N	416.451	5.393	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1ccc(Cl)cc1Br	804561285	ZNGGZGKQKHNSTR-UHFFFAOYSA-N	424.770	5.027	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)cc1	806424855	XHARBQVYURZPQY-DYESRHJHSA-N	421.541	5.028	30	20	HKED	
CCC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccn1	810536536	MKTDWYNMGIDLJZ-ZIAGYGMSSA-N	403.429	5.470	30	20	HKED	
Cc1c(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)n(C)c2ccccc12	814728987	VGJMHIBPZODBTB-UHFFFAOYSA-N	412.518	5.116	30	20	HKED	
CCOc1ccc(NCc2cc(C#N)ccc2Br)cc1Br	864026688	XVLZIBDDKIUGEI-UHFFFAOYSA-N	410.109	5.094	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNc1ccc(OCC(F)(F)F)c(F)c1	864035680	DPWOKUBWXJDFJH-UHFFFAOYSA-N	412.261	5.306	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)o1	901380346	VOISAOASLVTALP-UHFFFAOYSA-N	422.264	5.206	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1	915086954	YPUYTVJTCJLDFR-XMMPIXPASA-N	424.525	6.480	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2ccccc2o1)c1nc2cc(C(F)(F)F)ccc2s1	915104124	LLCDCHILNSHVBB-LBPRGKRZSA-N	415.396	5.265	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	915180931	SPNQYBZUYKHTIM-OHHDOMHQSA-N	424.500	5.567	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1	915199640	ISHRQULODCZBAL-HSZRJFAPSA-N	422.509	5.887	30	20	HKED	
C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(OCc2cccnc2)cc1	915271470	WQDOQKBUCDIGRY-PUMVZNGMSA-N	411.845	5.108	30	20	HKED	
COc1cc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cc(OC)c1O	916134033	ZMNXUIIHVOGFHO-ATVHPVEESA-N	417.486	5.443	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)oc2c1ccc1ccccc12	916936465	LLHRBWSCIJKGEK-KRWDZBQOSA-N	420.827	5.648	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2c[nH]c3ccccc23)cs1	917560735	XXCIWGVRNSZGHP-DHZHZOJOSA-N	405.454	5.344	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	920804590	WFYXEKPYWYOFII-LBPRGKRZSA-N	418.852	5.305	30	20	HKED	
COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1	920878317	GMQXAHWZYUCTMS-JOCHJYFZSA-N	422.488	5.097	30	20	HKED	
Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(-c2nnc3n2CCCCC3)cc1	920942852	HUEZGTICWJFIAR-UHFFFAOYSA-N	401.297	5.435	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)C(F)F)CCC2)cc1	1789624292	VNEXVOACSAOZBS-UHFFFAOYSA-N	414.443	5.013	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)nnc1-c1ccc(OC)cc1	5854841	BXHLPVASACMDJU-KRWDZBQOSA-N	407.539	5.120	30	20	HKED	
Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(C#N)c3)[C@@H]2c2cccs2)cc1	15644158	JXBWBXKGABCUAP-NZQKXSOJSA-N	415.518	5.051	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(C)c2)cc1	22729159	YBHLPYQBZPLROF-UHFFFAOYSA-O	409.600	5.656	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(C(CC)CC)cc1	22804754	NHNZSSGBNVRNKJ-UHFFFAOYSA-O	411.635	5.741	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC	41558960	PPRFXZJZOCVBRC-HNNXBMFYSA-N	413.424	5.109	30	20	HKED	
O=C(Nc1cccc(/C=C2\CCOc3ccc(F)cc3C2=O)c1)c1ccccc1Cl	58602306	JHFAANKNTLXMFD-FOWTUZBSSA-N	421.855	5.780	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2cc3ccccc3o2)cc1OCC	60977495	ZIXJHFWPVVEXIE-UHFFFAOYSA-N	416.315	5.449	30	20	HKED	
CCN(C(=O)CSCc1cc(-c2cccs2)on1)[C@H](C)c1ccc(C#N)cc1	61139999	DYEFARBYWCELFX-OAHLLOKOSA-N	411.552	5.118	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	62405952	SEQNVZBWIOOIQJ-UHFFFAOYSA-N	423.900	5.448	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)cc1C	63816424	YJPZBBJBWPVAJL-QFIPXVFZSA-N	400.478	5.324	30	20	HKED	
C=CCn1c(Sc2nc3ccccc3o2)nnc1-c1ccc(Br)cc1	195663672	NKNDRKMUMNUQSI-UHFFFAOYSA-N	413.300	5.186	30	20	HKED	
COc1cccc(-c2nc(/C=C/C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cs2)c1	301492189	DCTBRCFBHGWPOC-SOFGYWHQSA-N	400.843	5.276	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2snc(Cl)c2C#N)cc1	301947344	CYFRCHFPQXXDOE-UHFFFAOYSA-N	404.278	5.390	30	20	HKED	
CC(C)(C(=O)N[C@@H](C#N)c1ccccc1Cl)c1csc(-c2cccs2)n1	410005041	UMFCPBSSIURLJN-AWEZNQCLSA-N	401.944	5.184	30	20	HKED	
CCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](C)Cc1ccsc1	429159138	FEPVYLYEPZSRHQ-CYBMUJFWSA-N	411.449	5.046	30	20	HKED	
COc1cc(CNCC2(CC#N)CC2)ccc1OCc1cccc(C(F)(F)F)c1	430022417	OAVHCZONHDXTJJ-UHFFFAOYSA-N	404.432	5.076	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccccc1COCc1ccccc1)c1ccccc1	432668244	NISAYFSPGWBWOB-DEOSSOPVSA-N	413.521	5.960	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2cccc(Cl)c2)C1	433319904	SKPUBQSDOOOGBE-AEFFLSMTSA-N	413.974	5.162	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1C	439117070	QUYUOSDTOYVJHP-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1	439381410	CRJYPDRDIWJPNW-JHOBJCJYSA-N	417.534	5.161	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(C#N)cc1	439591048	FKTBSAKOTNEHRG-CYBMUJFWSA-N	401.363	6.077	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cnccc2-c2cccc(F)c2)c1	439662135	PQVHPTYRLJVJQP-UHFFFAOYSA-N	423.447	5.591	30	20	HKED	
Cn1c([C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccccc2)nc2ccccc21	440081192	PJPMUKSRACJHGF-ZJSXRUAMSA-N	423.520	5.007	30	20	HKED	
Cc1ccnc(Oc2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)n1	440825866	KOTBOSXEVZDNIZ-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
CCN(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(C#N)c(Cl)c1	448181710	UTAVPJBENNDNHX-UHFFFAOYSA-N	413.811	5.344	30	20	HKED	
O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F	460469393	JNOUZEPVXCLYOX-HOTGVXAUSA-N	419.340	5.539	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1C	462276758	UEWGVIJUVLXJAX-KRWDZBQOSA-N	400.478	5.197	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	463590841	FJZZIAFOVWVOOJ-HEHGZKQESA-N	405.313	5.156	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	463749578	YKVLRVHDJDLJBK-GOSISDBHSA-N	419.699	5.136	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc3ccccc23)n1)c1cc(C(F)(F)F)ccn1	464405461	LJCNZBDDGXTLPR-QGZVFWFLSA-N	423.419	5.867	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)cc1	464420024	XCUBIJGVXKJNBR-HNNXBMFYSA-N	417.412	5.113	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2)c1	464429437	VPWFYEJLYUEZNB-FQEVSTJZSA-N	421.378	5.041	30	20	HKED	
C=CCn1c(S[C@H](C)c2cnccn2)nc2scc(-c3cccs3)c2c1=O	464554859	XVPAXNLTIBGYAR-GFCCVEGCSA-N	412.565	5.016	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Br)cc1C	465453438	QYFLQSYPIHRUJI-UHFFFAOYSA-N	423.314	5.095	30	20	HKED	
N#CCSCCCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F	466606203	GCGUJAJNYYYOJU-UHFFFAOYSA-N	418.950	5.466	30	20	HKED	
CCOCCOCc1cccc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1C	467724322	SBPJHQMCMVWLPX-UHFFFAOYSA-N	421.419	5.083	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCCSc4ccc(F)cc43)o2)cc1	471237754	XJQNSIARHZMOQJ-UHFFFAOYSA-N	408.454	5.012	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C	471241773	SKXDBFRNMJHOLK-UHFFFAOYSA-N	419.569	5.477	30	20	HKED	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccccc1C#Cc1ccccc1	473634882	AHKSDJQZRHHDMK-ADSBAMQRSA-N	416.546	5.049	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	474428850	TUECOGOERDXMBQ-AWEZNQCLSA-N	401.944	5.842	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1	476119673	INHIABMGUSUDHJ-UHFFFAOYSA-N	410.411	5.465	30	20	HKED	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	478795308	OEHDOPJMTHCWFY-UHFFFAOYSA-N	423.476	5.405	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)s1	479656537	DONFBYUPNCEQOO-OAHLLOKOSA-N	407.564	5.616	30	20	HKED	
Cc1ccccc1-c1nnc(SC[C@H](C#N)CCC#N)n1-c1ccc(Cl)cc1	480398196	YGQDBMPBMMHLDE-INIZCTEOSA-N	407.930	5.432	30	20	HKED	
COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	483047403	KTFRYJHIZMJJNM-UHFFFAOYSA-N	413.477	5.001	30	20	HKED	
CN(C(=O)NCc1cccc(C#N)c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	483721715	IIUFEFGXXLMDOQ-JOCHJYFZSA-N	407.876	5.282	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@@H]43)cc2)nc1	485581043	IAKUAKUIYYQJMA-SDHSZQHLSA-N	423.516	5.544	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)cc1	485742670	IPNXKDSJPIEUSO-UHFFFAOYSA-N	423.419	5.317	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	487171455	JHSOSKDUJZEAEU-IBGZPJMESA-N	407.411	5.169	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1	487506933	WQXCALGRSHRFKL-HXUWFJFHSA-N	417.336	5.898	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Sc3nc(C(F)(F)F)ccc3C#N)o2)cc1C	488779616	DFLSQVMBXPVANJ-GFCCVEGCSA-N	404.417	5.492	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccccc1C	488894563	IIBUMNXMNAYCMJ-ZDUSSCGKSA-N	417.456	5.220	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccccc1C	488917690	WJCGAMUOEQEFLN-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)CC2)cc1	489656214	UXMPKGZKEWEJJB-UHFFFAOYSA-N	423.822	5.306	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)CCCCC(=O)c2ccc(F)cc2)cc1	489964842	SRXWJOCVBAZCRZ-UHFFFAOYSA-N	414.480	5.424	30	20	HKED	
Cc1c(C(=O)Nc2cccc3c2CN(c2nccs2)C3)sc2ccc(C#N)cc12	491045202	AXNRXXZQPVTBIM-UHFFFAOYSA-N	416.531	5.310	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccccc1COC1CCOCC1	494813074	UPULPVXDIKFOMW-UHFFFAOYSA-N	411.501	5.034	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2csc(C)n2)cc1	495124627	WXOCJWNAFXHUGY-UHFFFAOYSA-N	407.495	5.086	30	20	HKED	
N#C[C@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1nccc2ccccc12	498981268	WOJDBSLTJWBSNU-IBGZPJMESA-N	405.885	5.485	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c1	500770089	YCPHALSYQJIIOC-OAQYLSRUSA-N	418.497	5.451	30	20	HKED	
CC(C)(C#N)CC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	504251343	PDHOQJKWIPPQIH-LBPRGKRZSA-N	420.275	5.384	30	20	HKED	
N#CC1CCC(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1	508359558	HEEVEAXQZJKRIU-UHFFFAOYSA-N	404.297	5.240	30	20	HKED	
Cc1ccc(OCCN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	510646312	PNJANRFYQLFKJD-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1c(C(C)=O)oc2cc(C)ccc12	512162150	DAYOIOQRCLRKEF-UHFFFAOYSA-N	401.915	5.416	30	20	HKED	
Cc1cc(NC(=O)NCCSCc2ccccc2C#N)ccc1Oc1cccnc1	512916939	MULPFOYCZYDCQH-UHFFFAOYSA-N	418.522	5.109	30	20	HKED	
Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	514574862	COKQCCRQORYJFW-UWJYYQICSA-N	406.917	5.399	30	20	HKED	
C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	515760321	ZRVNCXMGUUGRMJ-CQSZACIVSA-N	406.313	5.182	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](CN2CCCCCC2)C1	518260286	VOSFAVIPKAKYOE-UXHICEINSA-N	414.619	5.201	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C(F)(F)F)c3)n2)cc1	518515495	SISLMFFRXDDWOD-MRXNPFEDSA-N	402.397	5.328	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCc4ccc(F)cc43)c2)cc1	518581085	SUWSEXBMUOZCSZ-XMMPIXPASA-N	415.468	5.280	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2)c1	521794728	VFUQUALVHRYIAP-UHFFFAOYSA-N	415.474	5.037	30	20	HKED	
CCc1nc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1	522090051	NCPFRDNXZWGKGS-KBXCAEBGSA-N	424.957	5.897	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3CC(c4cccc(F)c4)C3)cc2)c1	524390359	GECFQGJLSBGHJL-UHFFFAOYSA-N	400.453	5.409	30	20	HKED	
COc1cccc(C2=CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)c1	531214802	BWCDDFPMWXTJPC-UHFFFAOYSA-N	424.500	5.075	30	20	HKED	
Cn1c(C(C)(C)C)nc2cc(NCc3cn(CCC#N)nc3-c3ccccc3)ccc21	534094548	QORYGACWHMFVJM-UHFFFAOYSA-N	412.541	5.260	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)c1	535355855	SHVFHPGYWFRXBY-UHFFFAOYSA-N	406.507	5.516	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccncc2)s1)c1nc(-c2ccc(Cl)cc2)cs1	536442580	SOCRQWWUVKXHKU-HNNXBMFYSA-N	422.922	5.472	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cncnc2-c2ccccc2)cc1Cl	538267371	JCKMDOJQLFWYMX-NRFANRHFSA-N	424.891	5.705	30	20	HKED	
COc1ccc(-c2cnc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1	542016056	YJNRLHBKQZXCTC-SFHVURJKSA-N	409.489	5.740	30	20	HKED	
N#Cc1cccc(CNc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c1F	542232484	SYJNFHVCXPLZKD-UHFFFAOYSA-N	405.860	5.052	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543896390	CTGUIPDZZDQXEV-GDBMZVCRSA-N	405.523	5.189	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccc(F)c(F)c1F	544127459	CRNQLRIAJSRUTL-UHFFFAOYSA-N	412.436	5.099	30	20	HKED	
Cc1ccc(Oc2ccccc2NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1	548802309	IHIWDGNSCOEFDI-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)sc2ccc(C#N)cc12	550547464	BDZXZUOSWHEKDN-MRXNPFEDSA-N	400.290	5.383	30	20	HKED	
CN(CCC#N)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	552677619	HZDFYCOXLLRQDL-UHFFFAOYSA-N	406.489	5.192	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@](F)(c2ccccc2F)C1	554908037	IZPBLPBXTNKMJZ-VFNWGFHPSA-N	401.482	5.180	30	20	HKED	
N#CCCC[C@H](NCc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1	560561911	MLQYRBJSHAYJGM-NRFANRHFSA-N	411.958	5.900	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(Br)ccc3F)c2)cc1	563731084	NVHNBVVTVJHZKD-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1cccc(F)c1C#N	564551813	JKYCMXNRPMWWHI-ATVHPVEESA-N	413.477	5.389	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C)c(Oc2ccncc2)c1	569097668	SCQSKKLMLPAIKN-UHFFFAOYSA-N	404.514	5.178	30	20	HKED	
Cc1cc(C#N)nc(N[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)n1	571427563	FKKFJQVTJCCJOR-LBPRGKRZSA-N	414.332	5.024	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	581637673	JAXACQKYTCARHP-KRWDZBQOSA-N	416.481	5.415	30	20	HKED	
CC(C)c1ccc(-c2noc(CNc3ccc(Oc4ccnc(C#N)c4)cc3)n2)cc1	589568038	ZLVHABXOYMDJBD-UHFFFAOYSA-N	411.465	5.531	30	20	HKED	
FC(F)(F)c1ccc(OCCN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	593288983	AXHYCAUYHSEALK-RYUDHWBXSA-N	409.292	5.147	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)cn2)cc1	603689168	AZEUUZZZRBRNCN-XMMPIXPASA-N	421.460	5.052	30	20	HKED	
Cc1cc(C)cc(Oc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)c1	604016171	GPLAUJWFCRDYJN-UHFFFAOYSA-N	416.525	5.394	30	20	HKED	
C=CCc1cc(C(=O)N(CC)Cc2cccc(-c3ccncc3)c2)cc(OC)c1OC	607601836	AOSRCFIHUCZVGB-UHFFFAOYSA-N	416.521	5.157	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(C(C)(C)C)n1	608847195	VHXQBUHBTBSZPI-UHFFFAOYSA-N	421.541	5.536	30	20	HKED	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cc(C#N)ccc1OC(F)F	609066377	IBUSKAMSLQMCLL-OAHLLOKOSA-N	408.404	5.233	30	20	HKED	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2n1CC#N	609161113	BHJDUSHQFZTWMY-UHFFFAOYSA-N	401.388	5.225	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1	609387051	ICNRMFZLFKBYRF-HNNXBMFYSA-N	421.488	5.767	30	20	HKED	
COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	609434353	XLEJDWWURCIJBV-INIZCTEOSA-N	417.465	5.250	30	20	HKED	
COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	609436691	CUGHYWLPWPQLHY-IEBWSBKVSA-N	409.555	5.328	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1	609500279	ZZYGNSPOZRLLBH-UHFFFAOYSA-N	402.416	5.106	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)cc2)nc1	609503173	JFWNYRGUXPUVTD-AZUAARDMSA-N	423.394	5.050	30	20	HKED	
CC(C)(C)[C@H](CC1CCCCC1)NC(=O)C(=O)Nc1ccccc1SCCC#N	609691619	ZFIXLOANVDHHHE-FQEVSTJZSA-N	415.603	5.132	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(Br)cc1	609772805	LBENIDRQQGQLAZ-CQSZACIVSA-N	418.360	5.065	30	20	HKED	
N#CCn1c(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cc2ccccc21	609978296	PFXOKRUJQMXQNE-UHFFFAOYSA-N	420.516	5.222	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	609989516	HHAMGZOVQFUHDX-YVEFUNNKSA-N	414.349	5.284	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609989680	VFTVKSOAMTUHCH-KRWDZBQOSA-N	412.518	5.948	30	20	HKED	
CC(C)c1cnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1C(C)C	610034347	CBUAABIZKCRVML-INIZCTEOSA-N	402.539	5.154	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3ccccc3SCCC#N)c2)no1	610175061	WDLBONVOBUBNJB-UHFFFAOYSA-N	420.538	5.583	30	20	HKED	
CCN(C(=O)Cc1sc(C)nc1-c1cccs1)c1ccc(C#N)c(Cl)c1	611359422	WUSCLOAHCIPHMB-UHFFFAOYSA-N	401.944	5.301	30	20	HKED	
CC(=O)N(c1nc(CN2CCC[C@](C)(C#N)C2)cs1)c1c(C)cc(C)cc1Cl	612164871	JLPPHYZKXHLLNH-OAQYLSRUSA-N	416.978	5.224	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1	612372434	WOUADEIXYXDOKJ-VLIAUNLRSA-N	402.951	5.168	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(F)cc1	612607071	WYQTYOLBMIFEHU-SFHVURJKSA-N	415.346	5.026	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1	613319978	QSNBWSXEBDYXHK-LJQANCHMSA-N	418.909	5.448	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	618745251	GBTSBQWSDVSXHV-JOCHJYFZSA-N	411.465	5.011	30	20	HKED	
N#C[C@@H](C(=O)c1coc(C2CC2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	670115840	RUZVEKKQHMSKGT-LBPRGKRZSA-N	404.278	5.472	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCC#N)cc1	725722760	WXHHHBBDXBOELP-UHFFFAOYSA-N	415.474	5.227	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccccc2CC)c1	726573442	DJCRFMMMUROTRI-UHFFFAOYSA-O	419.957	5.495	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1	727954252	XTBGGRJJXCGULL-FQEVSTJZSA-N	407.901	5.054	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2nc(-c3cccs3)no2)c1	728181722	YTCXWRXKGJRDRE-UHFFFAOYSA-N	419.531	5.007	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(F)c1	728298379	DYAQGZDVHRVOBV-MRXNPFEDSA-N	421.447	5.163	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)cc1	730214322	DLJCTFJBNNODQO-UHFFFAOYSA-N	412.461	5.885	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730417683	PKBQRNBXVNYVPP-MWLCHTKSSA-N	409.269	5.386	30	20	HKED	
CCc1oc2ccccc2c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O	730549655	VGTSGDDKUFQPBS-UHFFFAOYSA-N	413.502	5.624	30	20	HKED	
C=CCN1C(=O)/C(=C\c2cn(C(C)(C)C)nc2-c2ccccc2Cl)SC1=S	731155716	QRRSCNFRALDBFE-LFIBNONCSA-N	417.987	5.346	30	20	HKED	
C[C@H](C#N)CNC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	732112174	RPKHYKZKXDSWCH-QWQBBLJPSA-N	402.519	5.144	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1	733843420	HYPXTBLZBPYRBS-QGZVFWFLSA-N	401.894	5.131	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)o1	734295300	WJLSXXBWZCVJBK-UHFFFAOYSA-N	412.877	5.477	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	735317470	AQBGQYKGYCSBSH-OAHLLOKOSA-N	402.947	5.626	30	20	HKED	
CCOc1ccc(-c2noc(CSCc3cc(Cl)ccc3OCC#N)n2)cc1	735319190	VWNGAARQKUHNJL-UHFFFAOYSA-N	415.902	5.124	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	735745371	GLEQNDAMZMDMEK-PXAZEXFGSA-N	424.353	5.100	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(SC(=O)N(C)C)cc1	739549503	BPOCCPUVXAVLNA-UHFFFAOYSA-N	424.444	5.296	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)Nc1ccccc1C(C)C	740328280	HAVJAEFFXWXGLD-UHFFFAOYSA-N	421.415	5.189	30	20	HKED	
CCOc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC	740432493	NTBXEFSWIHWXIQ-UHFFFAOYSA-N	407.495	5.016	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(OCC=C(C)C)c1	744029791	VPIRIKVBEFNWEN-JOCHJYFZSA-N	404.510	5.118	30	20	HKED	
C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)c1)C(=O)O	745020456	FKJQPXYJAWVUJG-MARXPDLDSA-N	419.458	5.304	30	20	HKED	
N#Cc1ccc(/C=C2\CN(C3CCCCC3)C/C(=C\c3ccc(C#N)s3)C2=O)s1	748998496	QGKQSSZCAJOFAH-OTYYAQKOSA-N	419.575	5.237	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ncc(Br)s1	756895103	HOGFVFHVGVHNLM-UHFFFAOYSA-N	421.267	5.370	30	20	HKED	
C=C[C@@H](CC(=O)OCc1csc(-c2ccc(OC)cc2OC)n1)c1ccccc1	758920081	KSFNBXXJONDUKO-INIZCTEOSA-N	409.507	5.230	30	20	HKED	
N#C[C@@H](C(=O)CC1CCSCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	762066706	BKAVJSNAOOHNPQ-AWEZNQCLSA-N	411.379	5.826	30	20	HKED	
C=CC[C@@H](N[C@H](C)c1ccc(Br)cc1Br)c1ccncc1	766022054	VVDIPEZWEZZYPO-SJKOYZFVSA-N	410.153	5.575	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	768112227	PIQYVDJOFQGXQW-HSZRJFAPSA-N	421.903	5.003	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)c1	770101598	YFHNRFJUFNZTBL-LJQANCHMSA-N	417.534	5.047	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H](O)c2ccc(Cl)cc2)cc1	772607027	MBECCKNKHKGLNO-QHCPKHFHSA-N	420.896	5.047	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1OC	772980537	SEVYSCUMNQEPNS-CVDCTZTESA-N	407.558	5.217	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)c1ccccc1	773074902	IQYGIMKCBKYYAK-QAPCUYQASA-N	409.498	5.050	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(Cl)c([N+](=O)[O-])c1	778050031	MIHZENYNUMJYCJ-UHFFFAOYSA-N	418.796	5.036	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCCc3ccc(F)cc3)n2)cc1	778613188	BGEREBNEEFUMRH-NRFANRHFSA-N	417.509	5.800	30	20	HKED	
C[C@H](N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(OCC#N)cc1	779093934	SQTDYESQUUZPLQ-AOMKIAJQSA-N	407.514	5.274	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CSCCS1)c1nc(-c2ccc(Cl)cc2Cl)cs1	780313352	OYMLRCLRZCXBKO-RISCZKNCSA-N	415.392	5.142	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	787039747	IDXDIPUZGVFFAU-ROUUACIJSA-N	423.925	5.053	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3ncc(C(F)(F)F)s3)s2)cc1	788356859	WLQUYYGRVIQXIP-FPLPWBNLSA-N	410.442	5.499	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797573828	XUXXKOFUIFPJLT-MRXNPFEDSA-N	413.543	5.586	30	20	HKED	
Cn1cc(CNc2ccc(OCC(F)(F)F)c(Cl)c2)c(-c2ccc(C#N)cc2)n1	799970052	SGDXXUMJKJQKPX-UHFFFAOYSA-N	420.822	5.165	30	20	HKED	
CC[C@](O)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	800415271	NBXUKQXRCHGTOD-LADGPHEKSA-N	404.897	5.232	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2cc(Cl)cc(Cl)c2O)ccc1OC	806146152	KQUCXHCEFWUGRV-MAUKXSAKSA-N	423.340	5.629	30	20	HKED	
N#Cc1csc(/C=C/C(=O)c2ccc(-c3ccccc3Br)s2)n1	811687749	IZPCHWQGHXPQQY-VMPITWQZSA-N	401.310	5.402	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)SC2=Nc3ccccc3CS2)c1	857759116	XCGJMQLPDJIGRY-KRWDZBQOSA-N	409.580	5.606	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(Br)cc2F)S1	915848967	FJCBJFHYMOWVBU-NVNXTCNLSA-N	405.292	5.097	30	20	HKED	
COc1cc(Br)c(/C=C\C(=O)c2cc3cccc(OC)c3o2)cc1OC	916130428	UVLZRYUYZXDGTJ-FPLPWBNLSA-N	417.255	5.117	30	20	HKED	
COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c(F)c1	916141454	LEVBTUAQPQLOKL-KTKRTIGZSA-N	402.828	5.076	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CN3CCCCC3)cc2)cc1	916956153	YAVWXGZKAUYRNQ-NTKDMRAZSA-N	417.553	5.147	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997110	QYFNYMOWDQVBGT-OUOZUETKSA-N	417.292	6.146	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(c3ccccc3)CC2)cc1	919773625	VDOBVURBKPAULK-RUZDIDTESA-N	410.521	5.133	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3ccccc3C2(C)C)cs1	920070627	XVZSHFSYTIDISX-NDENLUEZSA-N	406.482	5.524	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	920103872	FSQFYDCMNMKIIG-ACJLOTCBSA-N	412.411	5.581	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	920804239	MTQPBRREZKDUSH-ZDUSSCGKSA-N	404.438	5.196	30	20	HKED	
C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CCC2)cc1	1791575927	PSRODYDTCILBJE-IDPBPBMLSA-N	414.615	5.045	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832402679	PVVSWEHTPUENHS-JYFHCDHNSA-N	412.618	5.121	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1ccc(C#N)cc1	26129480	NWCJGMBSCZMEMU-MRXNPFEDSA-N	411.436	5.510	30	20	HKED	
Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	32288216	CPJOBVFFKGLGSE-UHFFFAOYSA-N	412.489	5.356	30	20	HKED	
C=CCn1c(SCc2cncc(Br)c2)nnc1-c1ccc(Cl)cc1	32326352	QKHUNERRHGPIDW-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)[nH]c(C)c1C(C)=O	51154791	IYZFRCGBVSDMML-SFHVURJKSA-N	405.523	5.400	30	20	HKED	
COc1cccc(-c2nc(CSc3nc4c(cc3C#N)CCCC4)cs2)c1OC	96995004	WUXFHPINCIXURE-UHFFFAOYSA-N	423.563	5.265	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cn3cccn3)o2)cc1Cl	107876358	LCBRNYWFASGBQS-HXUWFJFHSA-N	416.868	5.086	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCOc1cccc(C(F)(F)F)c1	107979486	POEQIPRDXJZALB-UHFFFAOYSA-N	410.395	5.053	30	20	HKED	
Cc1ccc(-c2nc(CNCc3cccc(OCc4ccccc4C#N)c3)co2)cc1	237759358	NMNKEIPHHGSCKQ-UHFFFAOYSA-N	409.489	5.391	30	20	HKED	
Oc1c(Br)cc(Br)cc1C=Nc1cccc2cccnc12	252635667	WZFOIKIBSVAPCB-UHFFFAOYSA-N	406.077	5.216	30	20	HKED	
N#Cc1ccc(Oc2ccc(Nc3ccc4nnc(C(F)F)n4n3)cc2Cl)cc1	301940408	ZFYZZNKINRSDDQ-UHFFFAOYSA-N	412.787	5.123	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1)c1ccccc1	409495261	VFGUYHWAOHMJHU-SFHVURJKSA-N	407.477	5.169	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	409527812	IFSBSTZJDNUFQE-JTHBVZDNSA-N	414.461	5.110	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1	425917055	LNTSBFFYMNCCAR-LJQANCHMSA-N	410.480	5.315	30	20	HKED	
N#Cc1cscc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	432061737	KEPOWHLAMFUEIC-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
C=CCN(C(=O)c1cc(C#N)cn1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	433501241	ZKMDAIIXURJQNW-UHFFFAOYSA-N	424.529	5.520	30	20	HKED	
C[C@H](c1nnc(SCCCCC(C)(C)C#N)n1-c1ccccc1)N1CCCCC1	436141339	NQMMRFRVYXBRNQ-LJQANCHMSA-N	411.619	5.626	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1F	437477008	RTMXBEASTXOWBH-UHFFFAOYSA-N	412.367	5.272	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	439087463	QRQNBTQBBLOAQA-MRXNPFEDSA-N	420.683	5.605	30	20	HKED	
CCOc1c(F)cccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	442809217	JREWXYSEDVTJSQ-LBPRGKRZSA-N	402.397	5.116	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2c[nH]c3ccccc23)cc1	443581755	VAURTSBKIMRLOW-UHFFFAOYSA-N	416.525	5.036	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CCCC1(C)C	444848865	OEPWPJKTSKJLIC-JOCHJYFZSA-N	405.542	5.846	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C	448068851	XTTMIBMUXAKEDW-IBVKSMDESA-N	422.569	5.113	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H](C)c1cccc(O)c1	460377990	VMXNDBLNFQBQDO-SJORKVTESA-N	410.493	5.036	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2Cc2cccs2)cc1	461318532	NHVYCTUDDFVDSF-HXUWFJFHSA-N	417.563	5.330	30	20	HKED	
Cc1cc(Sc2nnc(-c3ccc(Cl)s3)o2)n2c(nc3ccccc32)c1C#N	462859805	YMRKXLGDKGKTLU-UHFFFAOYSA-N	423.910	5.584	30	20	HKED	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	463108427	WIVCPFPQUNTFFQ-BPXKWBHBSA-N	407.514	5.366	30	20	HKED	
CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCCCSCC#N)o3)cc2C1	466604276	MQGVVTIDTGBHHC-CQSZACIVSA-N	407.630	5.688	30	20	HKED	
CN(Cc1csc(Br)c1)C(=O)c1cn(CCCC#N)c2ccccc12	469112825	XYODHZWJXIXWKM-UHFFFAOYSA-N	416.344	5.041	30	20	HKED	
CC1(C)[C@@H](OCc2ccccc2)C[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469293073	VOEDSWAUSPLPCK-RPWUZVMVSA-N	417.553	5.065	30	20	HKED	
O=C(c1ccc(F)cc1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469768429	KPKOEXJRKQYSKT-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	470114763	LSWZSXINUSFPAL-LJQANCHMSA-N	402.416	5.348	30	20	HKED	
C=CCc1cccc(C(C)C)c1NCc1nnc(-c2ccc(Br)o2)o1	473680853	WCMFRDFFSFIRNZ-UHFFFAOYSA-N	402.292	5.556	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OCCN2CCCC2)cc1	475556976	XRUFRINVLWLHCZ-UHFFFAOYSA-N	421.585	5.335	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1	476106595	FPJFBEZPLOBVTE-UHFFFAOYSA-N	409.549	5.072	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479194929	VIIDWDRMXYDFRS-IPJUCJBFSA-N	411.933	5.304	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F	482145759	UWUXVJXIDWGGMP-GOSISDBHSA-N	407.823	5.213	30	20	HKED	
CC(C)c1nc(C(=O)[C@H](C#N)c2nccc3ccccc23)nn1-c1ccccc1Cl	483208686	ZHFAWUFFGONXED-QGZVFWFLSA-N	415.884	5.082	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C	483438017	KURAENXTNTVEIS-UHFFFAOYSA-N	413.477	5.650	30	20	HKED	
CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	483481092	HHFPQDOFSLPLRE-IFMALSPDSA-N	423.582	5.517	30	20	HKED	
CCc1cc(O)ccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	483731735	QCWVNZLNKHXCAE-UHFFFAOYSA-N	405.429	5.188	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccc(C)cc1	489637807	JOHFVJJDXUFQHO-ZDUSSCGKSA-N	417.456	5.220	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Br)c2)cc1C	494739835	UUPJUVPUZKCYJZ-UHFFFAOYSA-N	423.314	5.095	30	20	HKED	
C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccccc1Sc1ccccc1C#N	494795809	RTPYSHOEFSXBAM-KRWDZBQOSA-N	402.519	5.166	30	20	HKED	
C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1SCCC#N	498289252	AJSNFHCYGORBAB-AWEZNQCLSA-N	403.345	5.272	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1	498760457	ZNEJMAGAHQKKFT-UHFFFAOYSA-N	417.943	5.399	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	502312638	LHRBKYCEIKUXKO-IBGZPJMESA-N	417.431	5.047	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CC1	503114702	FUNWRQPRSWTYKS-UHFFFAOYSA-N	409.383	5.462	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)C1	507719747	TXOOTXZPBXQUIT-VXGBXAGGSA-N	401.322	5.021	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccs1	508276975	YAIHZAYLBHTIIK-SFHVURJKSA-N	407.495	5.693	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(Cl)cc3)c2)cc1	509905214	NXYIZMWZILIFFM-UHFFFAOYSA-N	405.885	5.307	30	20	HKED	
F[C@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2ccnc(OCC(F)(F)F)c2)n1	512014144	CFSYFPUKBHTFQV-CYBMUJFWSA-N	421.272	5.150	30	20	HKED	
C=C(CNC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1	512666972	NCLLPSBXQRHPKP-UHFFFAOYSA-N	410.905	5.025	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1CCCN(C2CCC2)C1	512846852	RHLRCANCLGUKAF-UYAOXDASSA-N	418.541	5.125	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1OC	513203175	YRNXFJSSMQUOAU-SFHVURJKSA-N	414.505	5.514	30	20	HKED	
Cc1ccc(C)c(OCCSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	521733120	CQKAOGZTMHZBBB-SFHVURJKSA-N	414.596	5.448	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2c(F)cccc2F)cs1	523371984	PDPYENBFKOVKBW-OAHLLOKOSA-N	418.428	5.035	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N(C)C[C@@H](C)C#N	525506656	DUPNMAGMQHSEMS-HNNXBMFYSA-N	407.493	5.355	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(C(C)(C)C)cs1	531275779	PROMSCQHLWWVIP-AWEZNQCLSA-N	419.641	5.707	30	20	HKED	
C[C@H]1c2ccc(F)cc2C[C@@H](C)N1CC(=O)Nc1ccccc1SC[C@H](C)C#N	535790679	HJTBSPKTHHUIAS-ZACQAIPSSA-N	411.546	5.024	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)cc2)CC1	538544508	OMAVWODILCOWHV-INIZCTEOSA-N	412.333	5.294	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)c2)c1	540644683	PLUFWNMBCAPBJA-JWQCQUIFSA-N	420.459	5.035	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(Cc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1	541018789	HKUGWABAZXZVSU-KRWDZBQOSA-N	419.456	5.428	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N(CCC#N)CC1CC1	544266624	DXSZQONXYNOFEZ-UHFFFAOYSA-N	408.502	5.568	30	20	HKED	
C=CCN(C(=O)c1ccc(C#N)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	547951241	PURWMYWRVRZWGH-UHFFFAOYSA-N	424.869	5.076	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2	550522391	BHGDBDPCEDXXFC-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
C=CCC(C)(C)c1noc([C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)n1	551490565	SJWAVVVPKDXDAH-LBPRGKRZSA-N	404.561	5.245	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCCc4sc(Cl)cc43)cc2)nc1	553829212	ULNDCQOGVFBGAN-QGZVFWFLSA-N	409.898	5.268	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2o1	557546832	HADVYXUNWYCSSF-LBPRGKRZSA-N	417.943	5.606	30	20	HKED	
COc1ccc(-c2ccncc2)cc1CNc1ccc(Oc2ccnc(C#N)c2)cc1	577989880	XKCKLVYGCLSIQM-UHFFFAOYSA-N	408.461	5.428	30	20	HKED	
O=C(N1CCC[C@H]1CF)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	578092757	DTSSKQNXNUQTGF-PMUJDMTCSA-N	415.393	5.069	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1c1nc2ccccc2s1	579410820	ZLMWRFWAZCLIKR-SFHVURJKSA-N	417.538	5.091	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Nc2nc(C)cs2)cc1	580805711	CUKACHPPSDMRCS-UHFFFAOYSA-N	409.559	5.191	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccsc1Br	581872198	ARYXDDKTJKSHAC-NSHDSACASA-N	410.362	5.084	30	20	HKED	
C[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1OCCc2sccc21	584305403	OYRXVSKOGUYTNB-NYHFZMIOSA-N	404.491	5.301	30	20	HKED	
C[C@@H](Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1cccc(C#N)c1	600849556	QLUDKSPOQHLREG-MRXNPFEDSA-N	401.897	5.474	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604499447	ATEQUXYZYZDKCD-QFIPXVFZSA-N	400.482	5.751	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Br)cn1	608940061	LTIJWDDNBAUGPD-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccs1)C1CC1	609078498	UZIUAIXNJKHYMB-UHFFFAOYSA-N	417.534	5.704	30	20	HKED	
COc1ccccc1C(C)(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609104986	RJRITAUUDPYMOH-UHFFFAOYSA-N	418.468	5.201	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2F)c1	609106484	MMUVBSBAPVJQEH-UHFFFAOYSA-N	418.321	5.085	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1cccc(Br)c1	609386964	ATGFRUQPNAWBKI-UONOGXRCSA-N	418.360	5.140	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCOc1ccc(F)cc1	609434744	NDCBWFIFIKVXHF-MRXNPFEDSA-N	401.507	5.153	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)c1	609742617	IUIUPBRAXAQQGM-QFIPXVFZSA-N	418.880	5.687	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](CN4CCCCCC4)C3)c2)cc1	609988082	JDBXMRWFIRSZDB-QFIPXVFZSA-N	416.569	5.030	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ncc(-c2ccccc2)o1	610068795	WCRYEHACHHLQTO-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)c2)c1	610171600	OHJAAEONCYUVLJ-NHCUHLMSSA-N	404.416	5.158	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)ccc1OCCC(C)C	610348493	FHTLNALGGLRWHK-QZTJIDSGSA-N	409.530	5.113	30	20	HKED	
C[C@@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cccc(C#N)c1	610362659	GUOUQQIOILOSOD-QGZVFWFLSA-N	404.897	5.211	30	20	HKED	
C[C@@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cccc(C#N)c1	610404808	NGMHFTDETKOAAX-VLIAUNLRSA-N	420.513	5.259	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	611563848	ZAGMWJBAYMGNPH-BEFAXECRSA-N	401.432	5.098	30	20	HKED	
CC(C)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	620304195	HIOGSNFXOCHXAN-MRXNPFEDSA-N	412.461	5.613	30	20	HKED	
C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](c2ccco2)C1	669807275	CCJXLIXHDYURNE-SFHVURJKSA-N	417.538	5.150	30	20	HKED	
N#C[C@H](C(=O)c1ccc2cc(Br)ccc2c1)c1ccc2ccccc2n1	676497519	BVIPEBKDIGHTEZ-IBGZPJMESA-N	401.263	5.641	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F	677781576	ZZEKHCOYSJBZGZ-RNFRBKRXSA-N	410.692	5.131	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	678769248	QKJGTQSASSAKKX-BQBZGAKWSA-N	410.692	5.213	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2cnn(Cc3ccccc3Cl)c2)cc1	683724160	ZTZOBYMVVODZGC-UHFFFAOYSA-N	420.944	5.011	30	20	HKED	
Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1	726570985	PMWLBRMIHLSUOX-UHFFFAOYSA-O	406.918	5.131	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc(SC(F)F)cc1	731322333	XIMXRDYOEVGVMW-GFCCVEGCSA-N	409.552	6.204	30	20	HKED	
Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	732399668	UENZATAOFNBAHG-UHFFFAOYSA-N	417.446	5.128	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)nc1	733636279	NADKNCKZDFFMKN-UHFFFAOYSA-N	414.509	5.744	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	734706651	PRHJUDMWWXPSLA-RXVVDRJESA-N	408.910	5.344	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)OC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	734708683	WDHVLDSLTZKQNW-KRWDZBQOSA-N	414.461	5.014	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(C)cc1	739143532	QONCUMXBPUPXGU-MAUKXSAKSA-N	419.550	5.344	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-c3cccnc3)cc2)cc1	743096208	OHUURYXINAULFG-SANMLTNESA-N	418.500	5.726	30	20	HKED	
C#CCCN1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)CC1	745995331	PYUHPIQGVNRDCP-UHFFFAOYSA-N	417.336	5.003	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Cl)c(Cl)c1	747106413	SCUXGYIQTNJDGQ-CMPLNLGQSA-N	408.235	5.718	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2cc(C#N)cs2)C(=O)c2ccccc2)c(Cl)c1	748440627	PBIXLOLFTVYISH-YBFXNURJSA-N	420.921	5.795	30	20	HKED	
CO[C@@H]1Cc2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2C1	752944662	RBDCRPMOGBJMQZ-CRICUBBOSA-N	411.505	5.222	30	20	HKED	
N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1	754528222	IDOAIHWTEWFHFU-ZDUSSCGKSA-N	401.249	5.364	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Br)n1	755511283	PICWDHHAIXJHOJ-LJQANCHMSA-N	406.283	5.060	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccccn1)c1nc2cc(C(F)(F)F)ccc2s1	756243514	RQRUFKWZYNSRIZ-GFCCVEGCSA-N	407.442	5.069	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2C(C)(C)C)cc1NC(C)=O	758433763	IVKJMHZFHQBHKO-QBFSEMIESA-N	417.509	5.033	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1nc(Cl)cs1)C(=O)c1ccccc1	759077064	WGOOVHOKRBUVPH-AQTBWJFISA-N	424.953	5.826	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(C(F)(F)F)c1	761664086	FGPQXISMYIEYOZ-SFHVURJKSA-N	409.383	5.266	30	20	HKED	
O=C(CSCC(F)(F)F)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	761760944	MLXOHJNZWUUJGS-SNVBAGLBSA-N	400.262	5.148	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S	764896744	GAWLRFDRTYOQAX-IBGZPJMESA-N	411.550	5.136	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)c2)s1	765272086	VUTIPCIVIBWZLZ-IRLDBZIGSA-N	417.534	5.006	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)cs1	766696535	UDDXBTCDVCMIOC-HXJASHHUSA-N	406.482	5.659	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(Cl)cc2Br)ccc1OC	769926396	PMTGOYJOEVEDLQ-MRXNPFEDSA-N	423.738	5.082	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c(Cl)c1	770846956	MZMZDSMKQVXJBS-HNNXBMFYSA-N	405.281	5.133	30	20	HKED	
O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(OC(F)F)cn1	774130694	MXTOVPADLULLHT-LBPRGKRZSA-N	415.236	5.162	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(C2SCCCS2)cc1	774309375	FNOZUCSOZRJBFB-KRWDZBQOSA-N	405.491	5.125	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1	779989084	NFYBDFWNDMCCHO-MRXNPFEDSA-N	405.885	5.495	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(F)cc(Br)c2F)cc1Cl	782426292	BDZYOTZDYLFSNG-UHFFFAOYSA-N	402.651	5.061	30	20	HKED	
CCc1cnc(/C=C2\CC3(CCOCC3)C/C(=C\c3ncc(CC)s3)C2=O)s1	783711238	WAVXVDPEIDPZCE-KAVGSWPWSA-N	414.596	5.351	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	784617197	OEHNXQFFXUSIBR-FQEVSTJZSA-N	407.919	5.039	30	20	HKED	
CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	787107964	VHSDVDYNGACYNI-UHFFFAOYSA-N	420.165	5.069	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)NCCc1ccc(F)cc1	789213020	QRUCFPIRDNAMBS-UHFFFAOYSA-N	421.516	5.269	30	20	HKED	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl	793127922	ZRCFFGSSHBUFCY-HOCLYGCPSA-N	422.834	5.275	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	795331242	GJLFDYIASTWMII-PBHICJAKSA-N	400.309	5.329	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1nc(O)c2c3c(sc2n1)CCCC3	796752820	JUIQAPURYXDOKN-KCYZZUKISA-N	409.555	5.058	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)OCCCC1(C#N)CCOCC1	800179222	KCPCRXAXEIPBRF-HNNXBMFYSA-N	418.946	5.013	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N(CCC#N)c3ccc(C)cc3)s2)c(F)c1	800466944	SINKXYKIZKOEMA-UHFFFAOYSA-N	409.486	5.135	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)CSc2ncnc3scc(-c4ccccc4)c23)CC1	809088025	SNAMDBYBDCGQJT-IYBDPMFKSA-N	423.563	5.324	30	20	HKED	
Sc1nnc(-c2ccccc2Br)n1N=Cc1csc2ccccc12	812435840	XCMUPGKBRROCCM-UHFFFAOYSA-N	415.341	5.093	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(N2CCCOC2=O)cc1	815636674	YUTKPMIZRSFWJK-YFLGLAMVSA-N	403.526	5.088	30	20	HKED	
COc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1OCc1ccncc1	912774512	FIRQMZAIXMBTPQ-UHFFFAOYSA-N	423.516	5.710	30	20	HKED	
COc1cc(C=NOCc2coc(-c3cccc(Cl)c3)n2)ccc1OC(C)C	914571684	CFKMPPAVXUTUFB-UHFFFAOYSA-N	400.862	5.342	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccccn3)n2)CCOc2ccc(Br)cc21	915986971	LBTKCJUQRWBDKW-FMIVXFBMSA-N	413.296	5.016	30	20	HKED	
Cc1nn(C)cc1C(=O)/C=C\c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl	917519702	CPAPYBVLSUQRKC-SREVYHEPSA-N	423.731	5.138	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(-c2ccccc2)cs1	917542893	XEBHMFJMJSBDBX-UHFFFAOYSA-N	406.536	5.243	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccc3ccccc3n2)cc1	917803043	FCQVJPZERJUELR-SSZFMOIBSA-N	419.484	5.532	30	20	HKED	
COc1cc(C(=O)Nc2cccc(OCC#N)c2)ccc1OCc1ccccc1Cl	918596488	LBSGKVNIHZFKLP-UHFFFAOYSA-N	422.868	5.082	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1	919987442	GRCNNCKZHVCHCK-UHFFFAOYSA-N	410.307	5.333	30	20	HKED	
Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)c1ccccc1OCC#N	920003882	VKEWWLHWPGDUOF-UHFFFAOYSA-N	408.461	5.002	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3	920106584	TXEHYGUGWTVWGX-VBKZILBWSA-N	409.489	5.288	30	20	HKED	
Cc1cc(C)cc(C2(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2)c1	920807056	WWHUTMMROYVGRP-MRXNPFEDSA-N	408.473	5.613	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C(C)(C)C(C)(F)F)cc2)CCC1	1786456008	IVNOERKJIBSBSU-UHFFFAOYSA-N	414.443	5.013	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1)C(F)(F)F	1791305409	DUHJPJJPEPJDRW-UHFFFAOYSA-N	420.475	5.209	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC)cc4Cl)cc3)CCC2)C1	1792143112	UZSGZHDYHRTPGV-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2cccc(O)c2)c(C)s1	11153749	WMLZRMDEKNNMMJ-UHFFFAOYSA-O	411.572	5.026	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)cc(-c3ccco3)nc21	11207340	CDLMRMLOPISMRK-UHFFFAOYSA-N	405.845	5.050	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1ccc(C(F)(F)F)cn1	41552959	BYCBMYCUZQMCQQ-HNNXBMFYSA-N	419.453	5.339	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(Br)cc1Br)c1ccc(C#N)cc1	41648972	BGWZRHDWIDBMJT-NWDGAFQWSA-N	408.137	5.495	30	20	HKED	
CC(C)(C)C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1	110894158	LECXRYVYMRXOOS-JOCHJYFZSA-N	405.542	5.007	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)c1	195703001	IZWUTUKBLYQTRX-UHFFFAOYSA-N	409.489	5.261	30	20	HKED	
N#Cc1ccc(NCc2cccc3cccnc23)nc1NCc1cccc2cccnc12	302685250	QIUDXBMTRALNTF-UHFFFAOYSA-N	416.488	5.274	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCc1ccc(C#N)cc1	303322057	RKPLIHNAQGNTEW-AWEZNQCLSA-N	409.942	5.454	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	303416019	WLTNEOKWDRHSHK-UONOGXRCSA-N	407.461	5.840	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)o1	303416091	WOSQFGVUGHWUBJ-SQGPQFPESA-N	423.582	5.400	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1NC(=O)CC(C)C	304085024	WJUBNSJFZSRIMQ-QGZVFWFLSA-N	409.555	5.626	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1	410345395	PGRODMJBVLYWNT-KRWDZBQOSA-N	403.448	5.074	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)ccc2o1	429712055	REWNVJALACHJQN-UHFFFAOYSA-N	413.481	5.155	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccccc1	431314402	SVCXDAIBVUMPAH-YSIASYRMSA-N	412.331	5.039	30	20	HKED	
N#Cc1c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)sc2c1CCCC2	433520199	YIDKCIBOKHQYBU-BRRVFRNMSA-N	408.489	5.586	30	20	HKED	
Cc1ccc(-n2nc(C)c(CC(=O)N[C@H](CCC#N)c3ccccc3)c2C)cc1Cl	439667528	KTPVDYILNGNRCR-HSZRJFAPSA-N	420.944	5.155	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)CC1	441771359	AJUQCFDTUDXEBR-UHFFFAOYSA-N	408.449	5.280	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1Nc1ccccc1	442577938	JQGCXTUOKGLLIO-UHFFFAOYSA-N	401.466	5.108	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(F)c(Br)c1)c1nc(-c2ccccc2)cs1	442672663	OSACFVQPVKJZMO-ZDUSSCGKSA-N	401.260	5.202	30	20	HKED	
C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1	442678708	KUTSKPAQFMKZMU-CQSZACIVSA-N	402.325	5.277	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2c(F)cccc2F)n1	443452815	IWKOJNSZLWLVDA-UHFFFAOYSA-N	424.476	5.280	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(Br)s1	444097145	AEFVXVNQFFMLDG-IMJJTQAJSA-N	418.360	5.053	30	20	HKED	
COc1cccc(C(=O)c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)c1	444456684	XARWJBJCZLEDCH-IBGZPJMESA-N	412.470	5.026	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(Cl)cc(Cl)c2[C@H]1C	460780381	RBNLIEHNRULYIU-CXAGYDPISA-N	407.345	5.136	30	20	HKED	
CO[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1	465385169	CBWOAAOUPUIICX-JOCHJYFZSA-N	420.509	5.107	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	468854401	FGFOYIKDFDPOCR-MRXNPFEDSA-N	415.459	5.331	30	20	HKED	
CC(C)(C)OC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	469505161	PGQQEPSDPSHIJG-UHFFFAOYSA-N	421.541	5.143	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)c1	473543637	BAMBRUJPSMKXPD-HSZRJFAPSA-N	410.901	5.037	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	474438752	LEFKTJVSDWAEPJ-LLVKDONJSA-N	403.866	5.513	30	20	HKED	
CCc1c(C(F)(F)F)noc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	476689956	BXPVEPPFWHKUKQ-UHFFFAOYSA-N	420.231	5.546	30	20	HKED	
C=C(C)[C@@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(F)c(F)c1	478906683	BFKFYOPXLXRONB-XMSQKQJNSA-N	413.512	5.205	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)C(=O)NC1(C#N)CCC1	479498174	QELCWVCUIKTAKW-KGLIPLIRSA-N	421.488	5.035	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(C(F)F)c1	479624100	SAKNGPZMVSZMIO-CQSZACIVSA-N	406.523	5.890	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(Cc2ccccc2)n1-c1ccccc1	483242467	RCCJJOVDQXGDAD-UHFFFAOYSA-N	400.482	5.161	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc2ncsc2c1	485636762	QQVXMUXIQNYCBM-OAHLLOKOSA-N	415.543	5.810	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3)CC(=O)C2)cc1Cl	485709259	JYAKZFVNHMAZBE-QFIPXVFZSA-N	414.892	5.235	30	20	HKED	
Cc1nn(-c2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)c(C)c1Cl	487448473	PBISMOHIRINJBG-OAQYLSRUSA-N	406.917	5.308	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COC2CCOCC2)c1	487760009	ZPYSRWHAGJCMLF-KRWDZBQOSA-N	410.539	5.029	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	489714698	YUELHWPJULEKPF-SFHVURJKSA-N	417.484	5.179	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nccn2Cc2ccccc2)cc1	490128223	FKZUNZZVPGZUPW-UHFFFAOYSA-N	424.529	5.348	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2	492094602	LJTJPTGPWOQVFS-ZPHPHTNESA-N	411.505	5.106	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	492162135	UZXJJIRETVBQLX-CYBMUJFWSA-N	414.252	5.130	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c1	500196832	IPMIRMVFIJJJCS-UHFFFAOYSA-N	407.420	5.072	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1	504686454	FGEJLYAXFMBAAN-UHFFFAOYSA-N	417.446	5.328	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1	505309412	CDKBCTGEANJRSW-QZTJIDSGSA-N	423.586	5.025	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)cc1	505363503	CKOQXFJCMQMAMY-IBGZPJMESA-N	417.553	5.122	30	20	HKED	
Fc1ccc(-c2nc(CN[C@H](c3c(F)cccc3F)C(F)(F)F)co2)cc1F	506277629	RIMOICHLFQBVDF-MRXNPFEDSA-N	404.285	5.291	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	509896017	CGNXGYANDJLAOF-KRWDZBQOSA-N	424.957	5.683	30	20	HKED	
CC1(C)CC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC(C)(C)N1	510021786	ABPLWJZCRKATJN-HXUWFJFHSA-N	424.976	5.426	30	20	HKED	
COc1ccc(-n2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)n2)cc1	510281465	FVAMKODFUXMCKS-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1	511032231	RTLFHMHRODTLKV-QFIPXVFZSA-N	423.944	5.523	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)on2)cc1	511060921	HFHACQNIICKEPL-UHFFFAOYSA-N	411.486	5.601	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1COc1ccccc1)c1nc2cc(Cl)ccc2s1	515546038	GRGKYXSNGHNDAQ-LJQANCHMSA-N	418.905	6.019	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Nc2ccc(CC#N)cc2)cc1	519991029	KPMLILQKOOIWJQ-HSZRJFAPSA-N	403.457	5.006	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1cc(Cl)cc(Cl)c1	520940563	XWPSVXPWHYJQNN-CYBMUJFWSA-N	408.354	5.752	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1	521896636	RADACYCQWOASQN-INIZCTEOSA-N	414.347	5.250	30	20	HKED	
C[C@H](Sc1nnc(S[C@H](C)c2ccc(C#N)cc2)s1)c1ccc(C#N)cc1	522822990	CVWFMNLJAIKJDZ-OKILXGFUSA-N	408.577	5.988	30	20	HKED	
Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Br	523228361	YHAOHNVYFVWOFQ-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)cc1	526939251	XHZRGYSQFNAOQH-MOPGFXCFSA-N	415.320	5.039	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	527445316	CTLKHNFUIUMZMU-NRFANRHFSA-N	415.537	5.510	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccc(Cl)s1	532902029	NJOYKYCIDLBFNP-AWEZNQCLSA-N	407.992	5.256	30	20	HKED	
COC(=O)CCSc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1	535187427	VYVXSVGAQTZGPU-UHFFFAOYSA-N	416.502	5.133	30	20	HKED	
Cc1cc([C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C2CC2)ccc1F	535578648	GJPFUGYRMLFGSM-QHCPKHFHSA-N	401.441	5.074	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Cl)sc1Cl	537848513	GIXMIZULKTUGJK-JTQLQIEISA-N	400.356	5.771	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc(C(F)(F)F)c1	539174002	WBTVJAXPWKQWHD-UHFFFAOYSA-N	409.433	5.147	30	20	HKED	
COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)ccc1OCc1ccncc1	539608635	VZNQFGARHUBOAA-IRXDYDNUSA-N	405.473	5.092	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1	539755630	YODMAMRYTBSVCO-SQJMNOBHSA-N	412.489	5.248	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1csc(-c2cccc3ccccc23)n1	539790639	SRDOIQSFJYPAQD-UHFFFAOYSA-N	414.490	5.293	30	20	HKED	
CC(C)(C)OC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	540022645	ZPJYNGHPZXFYKO-GOSISDBHSA-N	404.491	5.255	30	20	HKED	
C[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541074497	MYOUSCBQUWNLFO-QGZVFWFLSA-N	424.529	5.164	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(C(C)(C)C)cs1	541656692	WGIRVBXTEJQKST-CABCVRRESA-N	416.616	5.124	30	20	HKED	
Cc1sc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	543504475	DHRZZRJBQBBGMV-KGLIPLIRSA-N	424.957	5.321	30	20	HKED	
CSCCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	544011456	ASVAYNPGTINRFY-NSHDSACASA-N	413.305	5.197	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCC(=O)Nc3sc(C)c(C)c3C#N)s2)cc1	544490567	XXWGLKPORYJOTJ-AWEZNQCLSA-N	424.595	5.266	30	20	HKED	
CSCc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	544794383	QAOPKSKVEWVHKY-UHFFFAOYSA-N	419.525	5.795	30	20	HKED	
CO[C@H](c1cccc(Cl)c1)c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1	546478090	IEEYDXBSZPOEMK-HXUWFJFHSA-N	421.840	5.169	30	20	HKED	
C=CCN1CCC(NC(=O)c2ccc(C)cc2Sc2ccc(Cl)cc2)CC1	546792549	GLYIPDSKNKBJOT-UHFFFAOYSA-N	400.975	5.180	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	547416731	MKHDWTBKQGRAQB-OAQYLSRUSA-N	410.445	5.317	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[C@H]2C[C@H](C)O[C@H](C)C2)cc1	548973373	HWTROLGADGFODD-BCDXTJNWSA-N	423.513	5.074	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N(C1CC1)C1(C#N)CCC1)c(C)n2Cc1ccccc1	551308994	QHWJMQNRMRYAKO-UHFFFAOYSA-N	413.521	5.058	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)c1ccc(Br)cc1	553453949	NQKAOHNISRGWFG-UHFFFAOYSA-N	418.379	5.109	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OC2CCCC2)c1)c1nc(-c2c(F)cccc2F)cs1	553597912	LBBWMZHNOSYNFY-KRWDZBQOSA-N	424.472	5.900	30	20	HKED	
N#CCCN(Cc1ccc(-c2ccccc2Br)cc1)Cc1cccnc1	555325758	KWDFDKIUGWYPHC-UHFFFAOYSA-N	406.327	5.427	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	562028718	RDSXGQBHPDVTDC-UHFFFAOYSA-N	414.859	5.746	30	20	HKED	
Cc1ccccc1[C@]1(F)CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	565626107	NOMYIMIZZJISNT-DEOSSOPVSA-N	416.456	5.157	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)cc1	572829861	WEFOSNLCBDEISA-HXUWFJFHSA-N	416.444	5.001	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@@H]1CCOC(C)(C)C1	580861494	DEMUMYMACYJVDN-LJQANCHMSA-N	407.514	5.470	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Br)s1	584046107	XELRHJUZNRFHQI-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3CCCC[C@@H]3C(F)(F)F)cc2)ccn1	589363662	SBLLXKWWJLPHMA-KUHUBIRLSA-N	418.419	5.236	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(-c3ncc[nH]3)c2)cc1Cl	590071924	JYLYVEKLJLCLAG-LJQANCHMSA-N	413.868	5.033	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1	592973612	IETUUNQPGALEMC-GOSISDBHSA-N	423.513	5.188	30	20	HKED	
CC(C)(C#N)c1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)cc1	602759395	TZXFFVOOUSQZSG-OAQYLSRUSA-N	402.885	5.307	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)C1(c2ccc(Br)cc2)CCCCC1	603522166	FAEYMRQENHISFL-UHFFFAOYSA-N	411.343	5.181	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1	603651442	AUVNMGAYHJJJAM-UHFFFAOYSA-N	410.930	5.427	30	20	HKED	
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N(C)Cc2cccc(C#N)c2)c1	603658587	YUGLLDZIGKVDCF-UHFFFAOYSA-N	401.514	5.014	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cn2)c1	603692953	QJQYLUTUBVUIKY-OAQYLSRUSA-N	418.884	5.768	30	20	HKED	
CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccco1	604088436	VVWJSCUKEAFSIT-IBGZPJMESA-N	424.888	5.021	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	608801713	IKNSYACFCGQJPK-UHFFFAOYSA-N	420.774	5.655	30	20	HKED	
COc1ccc(CNCc2cccc(-c3cccc(C)c3)c2)cc1OCCCC#N	608860993	UQNZSNPHUIBGSC-UHFFFAOYSA-N	400.522	5.643	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCOc3ccccc32)cc1Cl	609102253	QAJKHPNAHQJPHP-RTWAWAEBSA-N	402.881	5.500	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1Oc1cccnc1	609502225	UFHPVJLVCBVDIF-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
C[C@H](S[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1)c1ccc(C#N)cc1	609825144	IKZBDSHSFIHBBB-STQMWFEESA-N	407.520	6.084	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c(Cl)c1	611093416	QCENEECPSMINKE-GOSISDBHSA-N	422.743	5.085	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1	611127133	YDSRAXCTSOXCPA-XZOQPEGZSA-N	416.550	5.099	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)s1	613407055	GDBOPMGQNWSPFV-CQSZACIVSA-N	409.923	5.872	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(C)nc2cc(Br)ccc12	614533015	HXISHEHLTJYUOQ-UHFFFAOYSA-N	401.329	5.196	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1	626584594	YNTWGZIORAVVDS-UHFFFAOYSA-N	410.326	5.032	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1csc(Br)c1	643097950	FPHZSJMTRZDZAN-UHFFFAOYSA-N	406.374	5.171	30	20	HKED	
N#Cc1cccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)n1	685782891	HOXOLHJFQGMJEQ-UHFFFAOYSA-N	412.499	5.187	30	20	HKED	
Cc1cccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	726858231	GMWGRBGNGMAABB-MRXNPFEDSA-N	401.318	5.844	30	20	HKED	
C[C@H](CC#N)N(C)Cn1nc(SCc2cccc3ccccc23)sc1=S	728902985	ZTUSSIWADAIPQC-CQSZACIVSA-N	400.598	5.311	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1	730163455	OIOGZYPEILRREI-UHFFFAOYSA-N	404.445	5.444	30	20	HKED	
COc1ccc(Br)cc1CON=C(C)c1nc2ccccc2n1C(F)F	730439418	JNNPGZHDGUXLQL-UHFFFAOYSA-N	424.245	5.143	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1nc2cc(Cl)ccc2s1	730922529	UKUBUPQXRWQCLB-GBESFXJTSA-N	402.906	6.083	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1	733842884	DEOONGJJKZDNMV-QGZVFWFLSA-N	401.894	5.130	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CSc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	735770602	UKMZJOAWEDJRKX-QWHCGFSZSA-N	404.438	5.381	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C	743093394	TVKUNIRXUUOSPF-UIOOFZCWSA-N	409.533	6.328	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3ccccc3)n2)ccc1SC(F)F	746347380	ZRVIRJXTQJKAIO-HJWRWDBZSA-N	403.475	6.030	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	746779194	UWKPIEMCGKMNBL-VWLOTQADSA-N	412.489	5.342	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2ccccc2o1	750689889	MVVWENUHGCCCAH-SWLSCSKDSA-N	407.882	5.386	30	20	HKED	
Oc1c(Br)cc(Br)cc1C=Nc1cccc(C(F)F)c1	750949537	GMNZBHBXKCIJGW-UHFFFAOYSA-N	405.036	5.605	30	20	HKED	
N#C[C@H]1C(CN2CCCC[C@@H]2CCCc2ccccc2)=CC(=O)n2c1nc1ccccc12	752083614	SBWSBQBMDBYONC-PKTZIBPZSA-N	424.548	5.101	30	20	HKED	
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	755617017	YXZVPLNIWBOWMQ-LSSBLYJVSA-N	403.463	5.307	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(C(F)(F)F)cc3C#N)o2)cc1C	758953276	FUKCQIWPSUXZFE-ZDUSSCGKSA-N	415.371	5.162	30	20	HKED	
C#Cc1cccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1	761618080	MLTOQUQIWITFAZ-UHFFFAOYSA-N	403.309	5.188	30	20	HKED	
N#Cc1ccc(CN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C2CC2)cc1	761887120	KMALWCZJLOJMQP-ODLFYWEKSA-N	404.819	5.349	30	20	HKED	
CCCCOc1cc(/C=C\C(=O)c2cc(Br)ncc2F)ccc1OC	762422918	BWOCUDRUOWVWEJ-ALCCZGGFSA-N	408.267	5.067	30	20	HKED	
N#Cc1cc(NC(=O)CCOc2ccccc2-c2ccccc2)c(Cl)c([N+](=O)[O-])c1	764312120	AXQCPQSSNJNLOI-UHFFFAOYSA-N	421.840	5.194	30	20	HKED	
CC(C)c1ccc([C@H]2CCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	764459379	OPDIMOVWCSRZOK-LADGPHEKSA-N	424.548	5.574	30	20	HKED	
N#CCN1CCC(OC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1	770787081	MGTFTXRLASEKOD-UHFFFAOYSA-N	424.497	5.009	30	20	HKED	
N#CC1(COC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CCOCC1	780541733	FVBFTQCVNNDZQD-UHFFFAOYSA-N	424.547	5.066	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)NCc2ccc(C#N)cn2)c(C(F)(F)F)c1	782033579	NUJLPIFWXKZJIY-GFCCVEGCSA-N	408.449	5.184	30	20	HKED	
CCOCc1cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC	782382783	YWBIJSMNAGLKBG-LJQANCHMSA-N	400.522	5.621	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	789456785	HBMYFXCIWPDYTI-UHFFFAOYSA-N	405.586	6.193	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@H](C#N)c1cnc2ccccc2n1	792111156	RRCCJLCBOYKWAE-MRXNPFEDSA-N	414.534	5.465	30	20	HKED	
N#C[C@@H](C(=O)Cc1cc(F)c(F)cc1F)c1nc2cc(C(F)(F)F)ccc2s1	793121961	OAERDWSYNSWHPW-JTQLQIEISA-N	414.330	5.151	30	20	HKED	
CC1=C(Br)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1	797624073	ZIMDUPHIOQFXCM-UHFFFAOYSA-N	412.287	5.257	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C	797832907	RRDILPWYYMHVQE-UHFFFAOYSA-N	409.364	5.078	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(-c3cnn(C)c3)s2)ccc1SC(F)F	800793702	OKPGKOFZEMXRDI-GQCTYLIASA-N	406.479	5.368	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Cl)c2ncccc12	802122877	CXLHAGDKXGFSMV-UHFFFAOYSA-N	421.671	5.216	30	20	HKED	
N#Cc1c(Cl)nsc1N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	804713621	YZJILDQPASZCNQ-AWEZNQCLSA-N	401.841	5.267	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C1\C[C@@H](C(=O)O)c2ccccc2C1=O	806561724	YXHLWZQQUUZEFO-JRVGGCGHSA-N	420.896	5.040	30	20	HKED	
O=C(/C=C\c1cn2ccc(Br)cc2n1)c1cccc(-c2ccncc2)c1	811692098	UTBUUSBSEROYSR-PLNGDYQASA-N	404.267	5.055	30	20	HKED	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)c1	814280558	FKFHDUJDZWXKDE-ZHZULCJRSA-N	407.564	5.059	30	20	HKED	
Cc1c(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)sc2ccc(C#N)cc12	815727799	JTCANHKPBKOCEW-GFCCVEGCSA-N	422.897	5.276	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccccc1	817319594	PUUFDVHPYNWCGH-VWLOTQADSA-N	412.489	5.243	30	20	HKED	
COc1cccc(-c2nc(/C=C3\CC/C(=C\c4cccc([N+](=O)[O-])c4)C3=O)cs2)c1	818245385	JHBMLZBVDAUNAR-JTCWOHKRSA-N	418.474	5.557	30	20	HKED	
Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(C)n1-c1ccccc1	916546204	FVPYLZMTAMQQJJ-UHFFFAOYSA-N	421.957	5.514	30	20	HKED	
CN(Cc1cccc2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916678920	FNLNZNKCHWWJBT-AREMUKBSSA-N	405.501	6.159	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3ccccc3)cc2)cc1	916914260	XTRXAGYACPDZOD-QHCPKHFHSA-N	414.530	5.502	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(F)c(Br)c2)cc1	917515260	QGZXFAITJJXUPU-IBGZPJMESA-N	423.285	5.425	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccc(C#N)cc1	920673877	WZCMAVFAXBMRNG-CQSZACIVSA-N	412.898	5.232	30	20	HKED	
CCOCCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)cc1F	921260852	DWLNDHWFJMURBT-XVNBXDOJSA-N	411.242	5.039	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1	1791588477	SQIKKJFYRKKOBX-UHFFFAOYSA-N	408.885	5.410	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3C3CC3)cc2)CCC1	1792087180	DDMKYDAURQVJKB-UHFFFAOYSA-N	400.522	5.115	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)c(C)s1	10761926	XRMAWYFRMRLVSF-UHFFFAOYSA-O	419.954	5.496	30	20	HKED	
CC(C)n1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl	12348020	SVLCJOQHYSBARJ-UHFFFAOYSA-N	403.338	5.997	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c(OC)c1	16405568	DMEIYWBNOJBUFX-JLHYYAGUSA-N	421.880	5.506	30	20	HKED	
COc1cc2c(cc1NC(=O)COc1ccc(C#N)cc1Cl)oc1ccccc12	18963461	MLUGGAPYBJZOMS-UHFFFAOYSA-N	406.825	5.137	30	20	HKED	
C#Cc1cccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c1	59333458	FEWWTJNRUYDSLJ-UHFFFAOYSA-N	409.308	5.229	30	20	HKED	
C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1	61585039	YTAWQKVONQRMTL-STZPCZCHSA-N	411.505	5.326	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1ccc(Cl)cc1	78714851	QUAWGYPHWZOWBA-OAHLLOKOSA-N	403.935	5.134	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)c1ccccc1	103975589	HGQRRRDXLQSLHF-OAHLLOKOSA-N	413.930	5.060	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1	106115762	YXHQUSADJYVXHY-UHFFFAOYSA-N	421.884	5.504	30	20	HKED	
CCN(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1	110982917	FHLRAIZEMWVBNM-INIZCTEOSA-N	414.534	5.106	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	303374218	KIGLXOYXTFGEMF-QZTJIDSGSA-N	410.587	5.189	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	303417451	XAMSUYJOMQDULD-AVRDEDQJSA-N	423.582	5.255	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2ccc(C#N)cc2)ccc1OCc1ccccc1	409695939	FEUZWGLEBRXVGG-QGZVFWFLSA-N	401.466	5.029	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1F	434017461	RGEPXRBAJBLEFM-UHFFFAOYSA-N	418.424	5.100	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	436343017	MWJHQIYZJNQEOZ-IRLDBZIGSA-N	417.896	5.439	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(Br)s2)cc1OCCCC#N	436418236	XSRWOVFIXYZQJT-ZDUSSCGKSA-N	409.349	5.053	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1	438040703	JNTISOFZJQQRID-LSDHHAIUSA-N	418.588	5.156	30	20	HKED	
CC(=O)N(c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1)c1ccccc1F	438915069	HIUXXXKRWNLTGG-UHFFFAOYSA-N	422.529	5.501	30	20	HKED	
O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1	439138873	WCKJIXHCGATDTP-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CC(C)N(CC#Cc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F	441270876	WGEGTCRTMCGOTA-UHFFFAOYSA-N	408.851	5.059	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	445695617	WOTDBGRYCDCFLT-KBPBESRZSA-N	424.957	5.765	30	20	HKED	
C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(COc2ccccc2C#N)c1	460205229	IZWPBYYBCBDSRN-IBGZPJMESA-N	411.505	5.012	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1OC(F)F	460235163	RAQARMXKILKEFP-RDJZCZTQSA-N	405.832	5.245	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CSC[C@H]2CCCCO2)c1	460341811	XURYCRCBONUXMQ-OAQYLSRUSA-N	414.958	5.047	30	20	HKED	
C[C@@H](C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cccc(C#N)c1	461783184	CHZCLAKIBVQYHD-GFCCVEGCSA-N	414.943	5.098	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1SCCc2sccc21	463757980	CMQAQCJZGOSTBT-QFIPXVFZSA-N	422.550	5.631	30	20	HKED	
CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	464172550	YNPSAFPKCXXVJS-OAQYLSRUSA-N	418.324	5.304	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1OC	465587001	BBBSQDKJJTVAIM-VLCRHTCISA-N	421.541	5.026	30	20	HKED	
CC(C)Cn1ccnc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	466076097	JCCXXKISSMUSFA-UHFFFAOYSA-N	423.904	5.178	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	467369369	KHQVZXVUXIVRSA-HXUWFJFHSA-N	421.541	5.116	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2c1	469373747	SBQDICGVMVTDST-AREMUKBSSA-N	423.516	5.369	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	471204529	QOJVOHADJHIWGJ-YWZLYKJASA-N	417.431	5.136	30	20	HKED	
COC1CCC(C)(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	471205131	VLZFRDIXFBBTPK-UHFFFAOYSA-N	421.541	5.048	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	472436168	URRCQPBDWJKAIQ-JTHBVZDNSA-N	414.461	5.110	30	20	HKED	
CC(C)c1nnc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1	473478081	BSWZPMAOMWGHDS-UHFFFAOYSA-N	410.861	5.082	30	20	HKED	
Cc1cc(-c2ncccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)cs1	474327810	IOGNHWHISGGYMU-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1nnc(Sc2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c(C)c2)s1	475523386	FLIGHKDTQDQJQO-UHFFFAOYSA-N	408.552	5.360	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CCN(CC)CC2CC2)CC1	475556995	VRBGPLZFUFSMJB-UHFFFAOYSA-N	411.634	5.904	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)NCCc1cccc(Cl)c1Cl	476362449	CYHHLUXOYNYCRH-AWEZNQCLSA-N	422.381	5.016	30	20	HKED	
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C[C@H](CC#N)c1ccccc1	476530282	FMAUOUAUCIJIOF-SFHVURJKSA-N	422.916	5.215	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1	476808435	SKLYDCZXJZVKSB-UHFFFAOYSA-N	405.498	5.198	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481595880	JYJGTLWBTATWGH-INIZCTEOSA-N	421.447	5.640	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1)c1ccccc1	481910778	VIOQVTSATFVWPW-NRFANRHFSA-N	419.488	5.375	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C(=O)N(CCC)CCC)c1	481952445	MLJFILMBRSOQSB-UHFFFAOYSA-N	418.990	5.492	30	20	HKED	
CCOCCC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCC1	482917687	HIEMYYJJZOAVFO-UHFFFAOYSA-N	407.514	5.377	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1	485688606	FYHOGMRAUHHKLY-UHFFFAOYSA-N	410.832	5.044	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCCOc1cccc(Br)c1)c1ccccc1	487591974	HYNQTEPCFDEGSD-HXUWFJFHSA-N	415.331	5.159	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccccc1	488354493	WMHWWJABXMFEOK-HXUWFJFHSA-N	419.912	5.676	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	488389242	RPJOVAOEGOJGNX-OAQYLSRUSA-N	423.944	5.392	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N	488777121	FOWKDDAKQJDOAF-QWHCGFSZSA-N	407.461	5.605	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1cccnc1	496572336	LYGGFWXFYQQWEG-HXOBKFHXSA-N	419.912	5.012	30	20	HKED	
CC(C)c1nc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)nn1-c1ccccc1Cl	499184277	FMQYGFRZQFRKAO-CYBMUJFWSA-N	421.913	5.144	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3(c4cccc(Cl)c4)CC3)c2)cc1	501425510	SBAQTTGDUVUJIC-UHFFFAOYSA-N	416.908	5.655	30	20	HKED	
C=CCc1cc(CNC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)cc(OC)c1OC	503323852	NAWNGDGVHFMBTJ-GOTSBHOMSA-N	401.506	5.005	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	506698880	AUHWZRQWEMPWPV-QFIPXVFZSA-N	418.928	5.833	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1	510063574	FYZZSQOXWPQJLB-AWEZNQCLSA-N	417.309	5.114	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CC=C(c4ccc(Cl)c(Cl)c4)CC3)o2)c1	511189524	WXHCEBNLFIQRCS-UHFFFAOYSA-N	411.292	5.204	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	512859181	ALLCEHJWNNCYPT-UHFFFAOYSA-N	413.389	5.566	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1	513966718	XEDDNGMPXWDUOD-UHFFFAOYSA-N	402.523	5.031	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1	514033479	VBBYJKJDULBILJ-GFCCVEGCSA-N	424.353	5.420	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)n1	519171775	YWZGOWGEGXMUGD-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(Br)cc1	519414777	VEZJZFGWMIPMTD-CYBMUJFWSA-N	421.385	5.432	30	20	HKED	
CCCN(C)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	520915619	FWJVQRWEVNSFGQ-UHFFFAOYSA-N	413.521	5.430	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12	521481561	GPRMGVKNAAJLRF-UHFFFAOYSA-N	410.562	5.481	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	521715882	AOERQVUJGPODDN-UHFFFAOYSA-N	413.502	5.395	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1-c1ccccc1	521813343	IHFFSEDIFJIUNU-GOSISDBHSA-N	401.535	5.798	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1	524438858	YQQKUDFPODPUNJ-UHFFFAOYSA-N	423.513	5.289	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCCc4c(F)cc(F)cc43)c2)cc1	524492979	XTLCRWZZCMRDJA-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)c1ccc(C#N)cc1	524932936	AKTMBNQTZLFTNQ-LLVKDONJSA-N	413.852	5.749	30	20	HKED	
CC(C)n1cc2cc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)ccc2n1	525652468	AQLFCCHULIZZHD-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
C=CCc1cc(CN[C@H](c2ccc(OC)cc2)c2ccccc2OC)cc(OC)c1O	533104560	XEAAEZZPXUKAQT-RUZDIDTESA-N	419.521	5.026	30	20	HKED	
N#Cc1c(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)sc2c1CCCCCC2	534735360	GBXBHBCABDUGII-QFIPXVFZSA-N	424.566	5.154	30	20	HKED	
COc1ccc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c(C)nc2c1	536714897	LGXMYWAJVPEQBV-HXUWFJFHSA-N	413.502	5.474	30	20	HKED	
C=CCCOCCCCC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@H]1C	537314439	MMKPVESYSKKBJL-OAQYLSRUSA-N	420.553	5.108	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1F	538226572	TZLVYFYYPIXEFF-OYHNWAKOSA-N	417.525	5.284	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1	538232145	QVFJYXLUGALJRN-MOPGFXCFSA-N	405.567	5.064	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)nc2ccccc21	538685756	RTZIINBYEGHYMP-KRWDZBQOSA-N	406.917	5.162	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(COc4ccccc4)cc3)CC2)cc1	540235463	ADVLPXWRTGSQBW-UHFFFAOYSA-N	409.489	5.458	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1	543348633	AUASSMIQNTYQSF-VWLOTQADSA-N	411.505	5.030	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cccc(Br)c3Cl)n2)cc1	543716811	MVSIWTOBSBTYRA-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	543944088	ZXBNVDICJDSCMO-CLOONOSVSA-N	410.521	5.536	30	20	HKED	
COc1sc(CNc2ncc(Cc3ccc(C#N)cc3)s2)cc1Br	544668869	AWZKNDKZCURXOV-UHFFFAOYSA-N	420.357	5.050	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	546709004	MYROTWOIMUUTQC-BFUOFWGJSA-N	403.404	5.201	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)cc1Cl	548288494	YYIZMDMSTAOCGF-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
N#CCCn1cc(CNCc2ccc(OC3CCCC3)cc2)c(-c2ccccc2)n1	551580883	GGDYIDKDIOFPSA-UHFFFAOYSA-N	400.526	5.075	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2s1	552510717	APDSDSADKHCWML-LBPRGKRZSA-N	413.289	5.279	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC=C(c3ccccc3)C2)cc1C	552788124	NVGMQCDWXMGHNA-UHFFFAOYSA-N	410.521	5.010	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCC(=O)c4ccccc43)c2)cc1	555815527	QELFQOARCYOEEV-XMMPIXPASA-N	410.473	5.030	30	20	HKED	
CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)c1csc(-c2c(F)cccc2F)n1	555836210	KOFSJIBQEGBVCJ-UHFFFAOYSA-N	401.413	5.015	30	20	HKED	
FC(=C1CCCC1)c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1	559985508	VBUMZMJDVRTMQM-UHFFFAOYSA-N	411.277	5.346	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1	568815053	HUTQAUWNAXEUBM-MRXNPFEDSA-N	420.538	5.136	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC)c(OC)c1	569701562	BIHILKUOLWWDFN-NVXWUHKLSA-N	413.543	5.228	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H](C)c1c(C)n[nH]c1C	575801274	DCCWARFAHAIBFN-INIZCTEOSA-N	404.489	5.073	30	20	HKED	
C[C@@H](OCCCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1	582092577	XTJZLRSXMHVHDU-GOSISDBHSA-N	416.481	5.035	30	20	HKED	
CC(C)c1nn(-c2ccc(Br)cc2)cc1CNCC(C)(C)CCC#N	588930433	TZYNQSKWKKFUHG-UHFFFAOYSA-N	403.368	5.178	30	20	HKED	
FC(F)c1nc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccccc2n1	595530976	BVJBMYYQFARMME-IUCAKERBSA-N	413.312	5.889	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)cc1	601432837	DGTOBHWCLRFPFS-QHCPKHFHSA-N	403.441	5.583	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cs1	603527587	SIALSJNPKZCJMY-UHFFFAOYSA-N	421.591	5.666	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Oc1ccccc1F	603533947	OUXSGDHMXMZRAY-QGZVFWFLSA-N	406.432	5.146	30	20	HKED	
O=C(c1sc2cc(F)ccc2c1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1	604962239	MLYFSZUGFMJSCE-UHFFFAOYSA-N	419.749	5.651	30	20	HKED	
C=CCCCCCN(C)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C	606816039	LJLODPMZYHMNLI-UHFFFAOYSA-N	408.546	5.707	30	20	HKED	
O=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc(C(F)(F)C(F)(F)F)cc1	607206157	QFAADEDOYNXUSY-UHFFFAOYSA-N	419.297	5.138	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCc1ccc(C#N)cc1F	609229574	BTXUFKIAKZLVGT-UHFFFAOYSA-N	409.464	5.080	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	609379894	RWOFQAZIDCVOSY-UHFFFAOYSA-N	420.865	5.165	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3cccnc3)c3ccc(F)cc3)cc2)nc1	609501400	MYQDNZUDAMQUMX-UHFFFAOYSA-N	424.435	5.127	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1ccccc1Br	609590981	IGBAEQKJVDVOEH-DYXWJJEUSA-N	405.295	5.087	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cc1C	609665521	SKKRXFIJOGQSBJ-REWPJTCUSA-N	412.537	5.099	30	20	HKED	
Cc1[nH]nc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1-c1ccccc1	609680314	YSMMOTRDSXKNKL-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCCO[C@H](c3ccccc3)C2)cc1	610490429	UAICKUJRJNHUSX-QHCPKHFHSA-N	414.530	5.313	30	20	HKED	
CCN(C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccc(C#N)c(Cl)c1	611359623	KWXFDPRQMXQEPW-UHFFFAOYSA-N	402.306	5.655	30	20	HKED	
CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)[C@@H](C#N)c2ccccn2)cc1	613296614	PBUYLXQFXVUKRD-NRFANRHFSA-N	406.489	5.295	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F	613347061	WITLQNRKKOGNRW-AWEZNQCLSA-N	405.281	6.055	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	618810639	AXWOHSFXWKEHEE-JLTOFOAXSA-N	420.513	5.177	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c(Cl)c1	618875564	MGOXTAMHERMIFG-UHFFFAOYSA-N	420.202	5.583	30	20	HKED	
Cc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c(OCC(F)(F)F)c1	622327169	SMYCJIQUOJQZOC-UHFFFAOYSA-N	413.264	5.485	30	20	HKED	
Cc1cnc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc1-c1ccccc1F	645033561	VJRQRVNHKAGUDD-VXGBXAGGSA-N	407.333	5.158	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	679090625	FBVWCXLXSWFWBV-HNNXBMFYSA-N	411.408	5.360	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)c(F)c1	681330260	WQPDWQYROLAPHN-VJBMBRPKSA-N	414.496	5.391	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1	681598781	YFUNTIHEEGHPNJ-UHFFFAOYSA-N	405.523	5.035	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c1ccccc1Cl	727627632	OGGWOMKXMGUCIC-RZXPCSSPSA-N	417.292	5.061	30	20	HKED	
O=C(O)CCOc1ccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1	727685457	NVWPAPGOALTELF-DTQAZKPQSA-N	423.465	5.015	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1	727979542	ZCWYXIAYMGFHDT-UHFFFAOYSA-N	424.913	5.003	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(F)c1	728063037	UDPMLORBCNENIU-GOSISDBHSA-N	417.484	5.332	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cccc(OCCCC#N)c1	728442049	UTFLWMGIPRKEKI-QXMHVHEDSA-N	406.482	5.836	30	20	HKED	
C#Cc1ccc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)cn1	728817921	VWIAWVBJEPYCGV-UHFFFAOYSA-N	410.395	5.147	30	20	HKED	
Cc1occc1-c1nn(CN(CCC#N)CCC(C)C)c(=S)n1Cc1ccccc1	728901350	GFTWWWFQVNFPSU-UHFFFAOYSA-N	423.586	5.250	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C#N)c2n1CCC2	731938692	ROGWPNCJPFKLGF-VMPITWQZSA-N	421.840	5.332	30	20	HKED	
CCCCN(C)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	731991504	RPOSUXSAMXIIQP-UHFFFAOYSA-N	400.482	5.234	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C\c3csc(COc4ccc(Cl)cc4)n3)c2c1	734307818	STRGVSYVLUTKPV-WTKPLQERSA-N	424.909	5.762	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCCN(c2ccccc2)C1	734644819	WMELHQJAPFGDMU-CLJLJLNGSA-N	424.548	5.475	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3cccc(OCC#N)c3)s2)cc1	740438035	YQZVOMGPXDXMFI-QGZVFWFLSA-N	420.538	5.554	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1cccc(OCC#N)c1)c(C)n2C1CCCC1	741669044	JXUOPLACUNZOJH-UHFFFAOYSA-N	403.482	5.228	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl	741958479	TYPBGTKHHBZOPP-UHFFFAOYSA-N	416.880	5.118	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1	742653255	HKVUIYHTKNIECI-IKESIWSLSA-N	404.457	6.142	30	20	HKED	
CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](Cc1ccc(F)cc1)C(C)C	743026117	FAVIPHMEYXRQJH-HXUWFJFHSA-N	403.954	5.637	30	20	HKED	
N#C[C@@H](C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1nc2ccccc2s1	744015882	FHMSFCJHZOQXOB-NSHDSACASA-N	424.835	5.042	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C1CCC(c2ccccc2)CC1	744028713	LKZRBZMBQGFIDK-ACBHZAAOSA-N	424.928	5.278	30	20	HKED	
N#C[C@H](C(=O)c1scnc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	744936994	ZUVXCLTZJCQXDE-SECBINFHSA-N	414.726	5.717	30	20	HKED	
COc1cc(COC(=O)[C@H](C)c2cccc(F)c2)ccc1OCc1cccc(C#N)c1	745368284	GTRHEVPMZDPRQS-QGZVFWFLSA-N	419.452	5.132	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC3(CCCCCC3)C2)ccc1OC	745818667	DBCZGNWPALIYAR-FQEVSTJZSA-N	413.562	5.022	30	20	HKED	
CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1OC(F)F	750896157	OEORTVAGUMPUMG-NTUHNPAUSA-N	409.226	5.272	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2ccccc2F)cc1	752484907	JVFJSSDNBLAYIU-NRFANRHFSA-N	402.473	5.105	30	20	HKED	
CC(C)(C)OC(=O)NC[C@H](NCc1ccc(C#N)cc1)c1ccc2ccccc2c1	761332014	ZQSMZCZNUBZAOU-QHCPKHFHSA-N	401.510	5.067	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1	761825803	XHCDQJKDRCKAJN-UHFFFAOYSA-N	405.433	5.189	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(Cl)c1Cl	768137633	QHCNPNZJGYBEFI-GFCCVEGCSA-N	405.228	5.600	30	20	HKED	
CC(C)c1ncc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	772971731	MYABCPABGIXRTH-INIZCTEOSA-N	405.479	5.020	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)ccc1OC	772981012	XHMVIASPKVGVEH-WZONZLPQSA-N	401.510	5.289	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(F)c(Br)c(F)c2)cc1Cl	774558909	NBPIFZDLPUEEQU-UHFFFAOYSA-N	402.651	5.061	30	20	HKED	
N#CC1(c2ccc(C(=O)OCc3ncc(-c4cccc(Br)c4)o3)cc2)CC1	777172402	RFVAPJVGEPRIDX-UHFFFAOYSA-N	423.266	5.016	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1	787034575	ALRUNULONYJNDX-HKUYNNGSSA-N	406.869	5.190	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC)CC	789460372	SVVUVUWMRZOSRU-QHCPKHFHSA-N	421.585	5.140	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nccc2ccccc12	792095551	LQKMCTHWRUJLBI-CJFMBICVSA-N	414.411	5.510	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)c1nccc2ccccc12	792096802	RQOZYEMFHSUWFB-ZEQKJWHPSA-N	403.485	5.215	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1cnc2ccccc2n1	792108213	LCDRMCSVVVAZKS-QHCPKHFHSA-N	403.485	5.400	30	20	HKED	
CC(=NO[C@@H](C)c1nnc(-c2cccs2)o1)c1ccc(Br)cc1F	795245482	BIMKTPJNJQGHBX-JTQLQIEISA-N	410.268	5.202	30	20	HKED	
N#CC[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	796648655	DQRNTRDOKLEPIM-GDBMZVCRSA-N	413.424	5.579	30	20	HKED	
Cc1[nH]nc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1C#N	807395529	SARRNNRBWYMSPO-UHFFFAOYSA-N	406.445	5.089	30	20	HKED	
C#C[C@@H](NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1	811859812	AUSGQWRYVPYWAK-UZUQRXQVSA-N	419.912	5.049	30	20	HKED	
COc1ccc2cc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCCC5)ccc2c1	916273290	WOJFFQZQQKVDDP-UHFFFAOYSA-N	417.534	5.079	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1	916409888	MDDHJBLQVOCMJQ-UHFFFAOYSA-N	423.812	5.195	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C)n(C3CCCCC3)c2C)c1	916896379	FRRJNMXDVPTFMQ-MDRMPYQZSA-N	403.526	5.279	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C2SCCS2)cc1	916902133	CMCUPYKVZKXRMA-LJQANCHMSA-N	424.591	5.251	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2)cs1	916975490	CWVCBDGLXRRDRX-UMVBOHGHSA-N	412.864	6.008	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)ccc2c1	917042658	CQAKCMNMBHHQSK-UVLQEVCMSA-N	418.905	6.001	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	918052283	ASLZGWWAROKGRV-UHFFFAOYSA-N	402.841	5.197	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(CC)noc3C)cc2)CCC1	1789814640	DTBJPRWRDUOWOB-UHFFFAOYSA-N	423.557	5.286	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824675751	BRXPTBOKVRLTFE-NHCUHLMSSA-N	414.615	5.058	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1cccc(C#N)c1	25105878	BAPBZZCKGNKWNX-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)cc1	46347105	LJPLYSJBNLOGBY-UHFFFAOYSA-N	412.823	5.516	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161649	MTHLALRVQOMTKE-SFHVURJKSA-N	417.484	5.696	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccc(Cl)cc1	49724012	CFCFGYBIWBYJSO-UHFFFAOYSA-N	407.857	5.115	30	20	HKED	
C[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCCC1)C(=O)Nc1ccccc1C#N	63631293	MYZFNHPRDCHCQO-MRXNPFEDSA-N	415.459	5.006	30	20	HKED	
CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(OC)c(OCCCC#N)c1	64613242	WSWVZRKPGRDVGS-OAQYLSRUSA-N	413.905	5.008	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1	97543299	XVALEZWDJBYWER-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(s1)CC[C@H](C)C2	106116717	WVPSJXYNJOTOHN-AWEZNQCLSA-N	403.507	5.493	30	20	HKED	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(C[C@@H]1CO1)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	215154254	DVVLSHWEHUZOIF-GATWQZFCSA-N	414.567	6.533	30	20	HKED	
C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(NC(=O)c2ccncc2)cc1	301737089	VPQVQVSLLLKAEV-AWEZNQCLSA-N	410.399	5.397	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1OCC	301767900	XYSUVMNRNNKUST-HNNXBMFYSA-N	411.889	5.284	30	20	HKED	
COc1ccccc1[C@@H](Nc1c(C#N)cnc2ccc(Cl)cc12)c1ccccn1	301860245	DHGRQUKXOKFFMY-HSZRJFAPSA-N	400.869	5.365	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12	303246291	ASIOHSPHPJIXKB-INIZCTEOSA-N	413.502	5.999	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCc1ncc(-c2ccccc2)o1	303294600	NHACNDKALCRTAL-QGZVFWFLSA-N	405.523	5.555	30	20	HKED	
CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430590922	DSAKFVUGJLQVNR-LBPRGKRZSA-N	411.449	5.132	30	20	HKED	
CCc1ccc([C@H]2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	433062408	SUTMWSDLURQEPC-RXVVDRJESA-N	407.583	5.071	30	20	HKED	
CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N(C)CC(C)(C)C#N	433280339	ZGBNJZVTLOMHRR-UHFFFAOYSA-N	419.934	5.259	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1C#N	435539531	IUCMNSHWJPFGDK-UHFFFAOYSA-N	400.482	5.148	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(C#N)c1)c1nc(C(F)(F)F)cs1	435555558	YPAPISUDRGCSNH-CYBMUJFWSA-N	412.437	5.094	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](c2ccccc2)CO1	437377168	OMNPTSDJHIPNQK-SBUREZEXSA-N	416.452	5.092	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1	437838319	FWPVDMYEAFJSMK-QFIPXVFZSA-N	411.505	5.756	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](C)c1cccc(O)c1	438655995	OBFZLGVKCCHBLO-MRXNPFEDSA-N	419.456	5.810	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)N(CCC#N)c1ccccc1	439621911	XSGHYEYLHROWOI-KRWDZBQOSA-N	420.900	5.275	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(CCC(F)(F)F)c1	441106673	YYWZTBNKEXGZKT-UXHICEINSA-N	401.432	5.485	30	20	HKED	
C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1cccc(C#N)c1	442914357	SGZPKANIQVCBHR-LJQANCHMSA-N	417.582	5.037	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccoc1Br	445139139	RMTSCLIIHBWEFB-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CCO[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C1=CCCC1	465120466	KMDWTVDMLKDBHC-DEOSSOPVSA-N	404.510	5.290	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1Cl)c1nc(O)c2c(-c3ccco3)csc2n1	465388777	PBYPWGVVCMYVMW-JTQLQIEISA-N	413.911	6.035	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc1	467254822	VAEYQVYLNABIDQ-UHFFFAOYSA-N	405.885	5.361	30	20	HKED	
O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	468525264	UUBYXCJTBJPBCX-MNOVXSKESA-N	407.276	5.152	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CSc1ccc(C#N)cc1	469358920	SWBRPWSNKBAFSN-MRXNPFEDSA-N	407.564	5.302	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CNc2ccc(CCC(F)(F)F)cc2)c1C	470525524	IEYCNCGRZLHWSW-UHFFFAOYSA-N	403.448	5.157	30	20	HKED	
CCSc1cccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1	470564870	RIRKCPYOCDMDHJ-UHFFFAOYSA-N	408.527	5.026	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@H](C2CC2)O1	471204162	XCGVWFHAGAPVDQ-UPKQVVFYSA-N	409.917	5.027	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2cccc(Br)c2C1	475554387	MFESLMPMXDCLHO-UHFFFAOYSA-N	413.359	5.891	30	20	HKED	
CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	475625763	VASUMQNCUIBUQT-UHFFFAOYSA-N	418.522	5.350	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Cl)c(OCCC)c(OC)c1	476176883	ZSXYWIWLZBOMAA-UHFFFAOYSA-N	401.934	6.242	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(OC)ccc1Br	480640122	GZJOCEOPECHOIF-UHFFFAOYSA-N	415.740	5.393	30	20	HKED	
N#Cc1cccc(C2(NC(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)CC2)c1	484920988	XWNKHHFHPUEROX-FQEVSTJZSA-N	407.926	5.351	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl	485398370	KCUNRDWWFQRIGC-NSHDSACASA-N	401.340	5.188	30	20	HKED	
N#CCCC[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccccc1	487450400	UJWGTXCKPVKDPH-NRFANRHFSA-N	405.523	5.126	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc(F)c(Br)cc1Cl)c1ccccc1	487618232	PDDKRUDZEKLKIF-QGZVFWFLSA-N	409.686	5.407	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc(-c4ccccc4)oc3C)o2)cc1	489767819	YXKVPQRRKDPXPL-UHFFFAOYSA-N	405.479	5.557	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1	498731141	RVYMFYYSGVYIRE-BJKOFHAPSA-N	424.589	5.028	30	20	HKED	
C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	499383034	VAEUBVXPPFBZNF-NZQKXSOJSA-N	412.574	5.084	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H]1CCCC[C@@H]1C(F)(F)F	500214675	KCQMEGRUQLDVAW-NEPJUHHUSA-N	401.322	5.464	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N[C@H](CC(F)(F)F)c1ccccc1	504907538	FPFGXXUXGOLZRG-CQSZACIVSA-N	424.316	5.582	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1	505030067	SAHHNPYPTAFTLL-SFHVURJKSA-N	414.509	5.335	30	20	HKED	
CC(C)(C(=O)Nc1ccc(SCc2cccnc2)cc1)c1cc(F)cc(C#N)c1	505913722	WDIVUPIVHAWXKF-UHFFFAOYSA-N	405.498	5.301	30	20	HKED	
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC1CCCC1	506212762	QOJHHTHLLFAMTA-UHFFFAOYSA-N	422.598	5.189	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CC1	506922228	NHWTWRQDLVSGQN-UHFFFAOYSA-N	417.431	5.442	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)nc2ccccc21	507017105	HNTAZOFOBGTUQQ-LJQANCHMSA-N	401.853	5.509	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	507889064	CTYWCVOYJJEBDI-HNNXBMFYSA-N	419.462	5.378	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1Cl	510025996	MXDWQRBACUASSX-QFIPXVFZSA-N	422.960	5.088	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	510267126	KYDPRCGMVHZIQJ-UHFFFAOYSA-N	424.460	5.235	30	20	HKED	
Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(C#N)cc4)cc3s2)s1	511326362	VVYNGRJLAKCDPU-UHFFFAOYSA-N	418.503	5.043	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl	512557338	PJVDXFDLFJPJNX-GOSISDBHSA-N	402.970	5.140	30	20	HKED	
CCCCc1nnc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	513942319	NKELGZSSQOLKON-UHFFFAOYSA-N	423.517	5.126	30	20	HKED	
CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CCCc2ccccc21	515218370	RSXUGJCTXSAGRZ-OAQYLSRUSA-N	402.523	5.147	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1cccc(C(=O)NCc2ccco2)c1	517534845	GNIHJDHFGQGXKC-QGZVFWFLSA-N	405.523	5.216	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2	518683092	ILXODYNFXPDEKF-CRAIPNDOSA-N	409.511	5.036	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	518695659	FNCMUHBTYJMINK-ZDUSSCGKSA-N	412.465	5.109	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)N1CCCN(c2ccccc2C#N)CC1	519196707	OSVVQJIOUKOOTA-UHFFFAOYSA-N	414.962	5.068	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519996757	AJTXGFBAEDDYJG-SFHVURJKSA-N	413.521	5.914	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2c3ccccc3C[C@@H]2C)cc1OC	521377242	BIBGZBYROAGOQK-VBKZILBWSA-N	402.332	5.046	30	20	HKED	
C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	523455152	CHHJSPDCEIXPCK-MRXNPFEDSA-N	401.441	5.641	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H](CC(F)(F)F)c1ccccc1	523590798	DPEIMPQABKGEEB-NRFANRHFSA-N	409.411	5.297	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	524707275	HJRUZMUMHYHKHS-JOCHJYFZSA-N	416.908	5.906	30	20	HKED	
Cc1nc(O)c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1-c1ccccc1	530932561	JYIDGSBUAIJFHB-GOSISDBHSA-N	412.276	5.064	30	20	HKED	
C=C(C)[C@H](CC(=O)N(c1ccc(OCC)cc1)c1nc2ccccc2s1)OCC	533751957	ZJVQQHNLXFAXHV-FQEVSTJZSA-N	410.539	5.731	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2OC(F)F)cc1	535590711	MYGMBVXFRQPDDE-UHFFFAOYSA-N	411.408	5.001	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	536568062	YOAFEAGHUNYGTF-HJPURHCSSA-N	420.509	5.355	30	20	HKED	
Cc1cc([C@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)ccc1F	537225140	RLBHEHGVQHMWNU-NPMXOYFQSA-N	411.546	5.065	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NCc1cn(CCC#N)nc1-c1ccccc1	537717816	BFWNZKBFOUSENN-OAQYLSRUSA-N	413.569	5.763	30	20	HKED	
COc1ccccc1Nc1nc2sc(C(=O)N(CC#N)C3CCCC3)cc2s1	539401420	KLYLJYLNHOWLPO-UHFFFAOYSA-N	412.540	5.018	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)n1	542329609	GHYKLOHFAHXAND-ZDUSSCGKSA-N	405.401	5.430	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1sc(C)nc1C(F)(F)F	542764856	HEOOEBFSUBKBOD-UHFFFAOYSA-N	410.490	5.131	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nn1[C@@H](C)C1CC1	543157262	YZNNRCVLZMWFGM-KRWDZBQOSA-N	400.482	5.273	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1	543759190	WLGAKIBMHQAIEA-UHFFFAOYSA-N	413.569	5.003	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1cccc(N2CCOCC2)c1	543961466	KZIZDJFZXBKNGK-RTWAWAEBSA-N	411.549	5.474	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCC[C@H]2CCCCO2)cc1Cl	546212963	KRQFPXLOAFZGQL-CTNGQTDRSA-N	411.933	5.466	30	20	HKED	
CC(C)c1ccc(/C=C/CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1	553539725	FKCKFSZFKFYUAF-ONEGZZNKSA-N	406.501	5.294	30	20	HKED	
Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	560623400	YLEPGRFGRKKKHN-INIZCTEOSA-N	408.461	5.075	30	20	HKED	
N#Cc1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cnc1C(F)(F)F	567294410	NBOSVMMXVZYKRI-HNNXBMFYSA-N	414.214	5.256	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1Cl	574237142	KMRDCCHEBHAJDA-WMZOPIPTSA-N	407.823	5.458	30	20	HKED	
C=C(C)[C@@H](NCc1cc(OC)c(OCC(F)F)c(OC)c1)c1ccc(F)c(F)c1	584195025	JQGFVVQOPLEXHV-HXUWFJFHSA-N	413.411	5.033	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c(Cl)c1	589970211	IBFLRPSWVMAGKG-UHFFFAOYSA-N	408.697	5.894	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccnc1OCc1ccccc1)c1ccccc1	590107843	HKEGGPQUIGQLNZ-NRFANRHFSA-N	400.482	5.217	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	603689538	OQMCMTZBNORTEO-MRXNPFEDSA-N	402.454	5.027	30	20	HKED	
COCCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl	604199684	XFSYKTAEWRRURA-UHFFFAOYSA-N	406.869	5.156	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	605032557	ZWSMGWFSZNADON-UHFFFAOYSA-N	412.227	5.193	30	20	HKED	
Cc1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(OC(F)F)cc1C	608053374	QAILXMXURDRMEN-STQMWFEESA-N	419.356	5.904	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(C(C)(C)C)n1	608846721	JOGDVQVTOKMOEP-UHFFFAOYSA-N	421.541	5.536	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)oc2c(F)cccc12	609171830	FHUIIXNBILAOBM-QFIPXVFZSA-N	414.436	5.454	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Cl)cc1Cl	609403045	OQFIKPQKQIYTSX-CYBMUJFWSA-N	408.354	5.909	30	20	HKED	
CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCc2ccccc2C1	609501218	AJOCEHYSXNQJRW-QHCPKHFHSA-N	411.505	5.155	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(CC(F)(F)F)c3ccccn3)cc2)cc1	609502187	QOSXNGUYJMMKBO-UHFFFAOYSA-N	411.383	5.149	30	20	HKED	
Cc1ccccc1NCCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	609526330	QAAVNQQXLRVDDP-UHFFFAOYSA-N	401.485	5.350	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	609792683	PVFWDUUSHQUSHJ-ZDUSSCGKSA-N	419.312	5.259	30	20	HKED	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)C1	609813787	RFUPCIUPVDUWMN-KSZLIROESA-N	421.570	5.127	30	20	HKED	
Cc1ccc2cccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2n1	610160105	ZPGQAPZHIDQSNY-UHFFFAOYSA-N	409.464	5.397	30	20	HKED	
Cc1ccc(CN(C(=O)N[C@H](C)c2cccc(C#N)c2)[C@H]2CCc3ccccc32)cc1	610406895	MIYIECGKWWSQOZ-IBVKSMDESA-N	409.533	5.827	30	20	HKED	
CCCc1c(NC(=O)[C@H]2CCc3c(Cl)cccc32)cnn1-c1cccc(C#N)c1	615290592	SWPRIOWGJASHTD-IBGZPJMESA-N	404.901	5.018	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2sc(-c3ccccc3)nc2C)ccc1OC	622267272	WWALOCHHKYIIHA-KRWDZBQOSA-N	408.567	5.933	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nc(-c4ccccc4)no3)cc2Cl)c1	728052362	BAQHQEMMZNUXLQ-UHFFFAOYSA-N	416.868	5.453	30	20	HKED	
CCOc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1OCC	728264317	FXUQTEVYGWZOPA-UHFFFAOYSA-N	403.482	5.016	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccccc2)cs1	728765766	QVAARLOJFHGSAL-DLBZAZTESA-N	400.425	5.723	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2sc3cccc(Cl)c3c2Cl)c1OC	729429545	MGPPWFHCMODCMS-LBPRGKRZSA-N	421.305	5.220	30	20	HKED	
Cc1ccccc1-c1nn(CN(CCC#N)CC(C)(C)C)c(=S)n1Cc1ccco1	729468479	UUVSRFWGXNXRLF-UHFFFAOYSA-N	423.586	5.250	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(OCC#N)cc2)cc1	729685399	QUIWMSYSLUURGG-UHFFFAOYSA-N	408.505	5.040	30	20	HKED	
O=C1/C(=C\c2cccc(O)c2)CCc2nc(-c3ccccc3Br)sc21	730436180	NDBVTANBJBHXMR-RAXLEYEMSA-N	412.308	5.491	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)Nc2cccc(OCC#N)c2)c2ccccc2)c1	730476997	AVIQXXHVMIDTMQ-DEOSSOPVSA-N	400.478	5.471	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1C	733634365	PTPFUTLBNPAFAT-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
CC[C@H](NC(=S)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1cccs1	734376027	HQJBQTRHJPXNNQ-FQEVSTJZSA-N	423.582	6.100	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccnc(Oc2ccccc2Cl)c1	735638042	YKRBERRJWJENHK-UHFFFAOYSA-N	418.840	5.343	30	20	HKED	
CC1(C)C/C(=C\c2cccc(OCC#N)c2)C(=O)/C(=C/c2cccc(OCC#N)c2)C1	736434153	PFOJIZFFKQRHEV-JFMUQQRKSA-N	412.489	5.347	30	20	HKED	
C#CCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCCCC1	743689676	COMGFAPWFABCJE-UHFFFAOYSA-N	403.551	5.035	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2)cs1	744035076	NYXMEQRADNJIRZ-HYVNUMGLSA-N	414.864	5.722	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c[nH]c4c(C)cccc34)n2)cc1	744061721	NMOYQQUSDWFCKN-HXUWFJFHSA-N	415.518	5.418	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1F	744380708	XKMQZCTXLLYVOX-UHFFFAOYSA-N	420.202	5.583	30	20	HKED	
O=C(/C=C\c1cc2c(cc1Br)OCO2)c1ccc(-c2ccncc2)cc1	745990526	SECKTGJQBNBTQG-WAYWQWQTSA-N	408.251	5.136	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)/C=C\c3ccc(-c4ccccc4Cl)s3)nc12	750722238	BHBIXOLZDLYMRG-QKIRZYONSA-N	418.909	5.538	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	752238468	QBSKOZVRWPEHAF-QRWLVFNGSA-N	407.495	5.046	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1c[nH]c2cc(Br)ccc12	753144631	OQPOEASVFBPYEX-RQOWECAXSA-N	410.296	5.345	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cc(-n4ccnc4)cs3)cc2F)c1	753569181	FOZAPLGJFTUSQF-UHFFFAOYSA-N	404.470	5.136	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@H](c2cccc(Br)c2)C(F)(F)F)c(F)c1	755378226	DTNJLCHYMBZKGF-CQSZACIVSA-N	420.131	5.059	30	20	HKED	
C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)c1ccc(Oc2ccccc2)cc1	756590813	IACYYUNMROOHSL-CQSZACIVSA-N	407.372	5.057	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CCO2)cc1	757522548	VZZMGFHHNCXKPS-GOTSBHOMSA-N	414.461	5.131	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@@H]2c2cccc(F)c2)c1=S	765038083	LDODYYMKYJUMHC-OAQYLSRUSA-N	424.545	5.031	30	20	HKED	
C=C(C)C[C@H](C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	767694220	ARZXDBWEXLRGMN-HNNXBMFYSA-N	420.962	5.743	30	20	HKED	
Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cnc(C2CCCC2)s1	767756013	QTLDLZHEWBQDFP-UHFFFAOYSA-N	424.382	5.537	30	20	HKED	
N#CCC[C@H](NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1	767895410	OMHWXSVVENWTME-QUCCMNQESA-N	401.432	5.249	30	20	HKED	
O=C(/C=C\c1cnc(C2CCC2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771100438	YKYBAWAFEXCWKA-JJEJIETFSA-N	401.503	5.394	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1	775486468	BLIYZFKWFOJVKA-RPLLCQBOSA-N	423.516	5.395	30	20	HKED	
COc1ccc(C(=O)N2CCCCCC2)cc1N[C@H]1CCCc2cc(C#N)ccc21	777671835	QGVUHFQKYXSNAU-QFIPXVFZSA-N	403.526	5.073	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(C)cc(Br)cc2Cl)c1	778001032	SOWXGOXXELPPSB-OAHLLOKOSA-N	421.722	5.022	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1	780675269	OWRKDGDGKIBDMU-HNNXBMFYSA-N	406.461	5.009	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	787398685	BCZWMHSNRLVYHU-MOPGFXCFSA-N	401.432	5.537	30	20	HKED	
Cc1ccc(C2=NO[C@H](CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1C	801628155	BYKGKEXLOMZTAP-HKUYNNGSSA-N	422.554	5.012	30	20	HKED	
Cc1oc(C(C)C)cc1C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	802800326	QBDVYMYANVHLIQ-BZNIZROVSA-N	407.297	5.218	30	20	HKED	
Cn1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1-c1ccccc1	806201061	SLGUQUCONJRRQE-JOCHJYFZSA-N	407.477	5.387	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(Br)c1	813060649	GDXOTVAIAFIKBA-CXAGYDPISA-N	411.324	5.553	30	20	HKED	
CC(=NNc1ccc(Br)cn1)c1sc(-c2ccc(F)cc2)nc1C	814832117	FQQBKOXMGCYGLG-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
COc1cccc(-c2nc(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cs2)c1	916136986	DCTBRCFBHGWPOC-VURMDHGXSA-N	400.843	5.276	30	20	HKED	
CCC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	916381462	IHSULIYAKJVREX-QHCPKHFHSA-N	412.493	5.012	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCSc2ccc(OC)cc2)cc1	916955088	MJMDBTTZNKNBAP-IIBYNOLFSA-N	410.539	5.038	30	20	HKED	
CCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1	917559881	OGEHPKDZNMXWIU-JYRVWZFOSA-N	424.497	5.652	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccccc3C#N)cc2Cl)cc1	917599991	GKQAIEONJBMZHL-UHFFFAOYSA-N	404.882	5.685	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc(Cl)s2)n1	920107911	JCFRBLFHKXHAIR-NSHDSACASA-N	422.318	5.140	30	20	HKED	
CCOc1ccccc1CCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920805214	AXEVHAFBZLAYBU-HNNXBMFYSA-N	412.461	5.296	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c(F)c3)cc2)CCC1	1790651690	RWTVQOPDPNCNLF-FQEVSTJZSA-N	422.500	5.047	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1	1830598585	FYNSTZJWPDXGSF-WIYYLYMNSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1OC	6147799	IBJMWGLZVLGLIM-AWEZNQCLSA-N	413.930	5.157	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(CC)c2)cc1	10174690	IGHAZQWRZJANOT-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
C=CCN(C(=O)CSc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	14724100	AAZWXTQZFIIDNS-UHFFFAOYSA-N	411.508	5.030	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1	14794167	BDRZOBLSEFEOBX-KRWDZBQOSA-N	402.450	5.155	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1cccc(C)c1	17708640	VHWVROREJXFWGY-QGZVFWFLSA-N	417.538	5.651	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F	78720035	YSKFJYYVBIXSEM-KBPBESRZSA-N	408.445	5.506	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	303302671	CZOQPBBDGGCVAB-COXVUDFISA-N	404.457	5.842	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1	303377598	LSFFSXVEJPJTEV-QAPCUYQASA-N	422.579	5.917	30	20	HKED	
Cc1ccc(CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)s1	303378195	LXWBPCGPOKIQRE-KRWDZBQOSA-N	401.601	5.300	30	20	HKED	
C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cc(Cl)ccc1Cl	428297986	ALKMVTLZBQFAJI-AWEZNQCLSA-N	413.308	5.262	30	20	HKED	
CO[C@@](C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1F	428746585	TXMXQEMZXFRJGA-RUZDIDTESA-N	418.468	5.085	30	20	HKED	
CCOc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(C(F)(F)F)c1	432759281	ITOMMBUTWZYFSX-SFHVURJKSA-N	405.420	5.661	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1	438036707	IJMHPJZLVBICJP-HZPDHXFCSA-N	413.974	6.349	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1	438066598	LTSNTRAFFPLJMX-QINHECLXSA-N	413.518	5.071	30	20	HKED	
Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c(-c2nc(C3CC3)no2)c1	439481452	ZMBVOVIUAMWHGC-IBGZPJMESA-N	401.470	5.089	30	20	HKED	
N#Cc1ccccc1Oc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1F	439670833	IMTMTBURBLXCGH-HSZRJFAPSA-N	419.431	5.061	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1nccn1CC(C)C)c1ccc(C(F)(F)F)cc1	440858297	IQUAJVBCUCCYMN-SFHVURJKSA-N	408.468	5.065	30	20	HKED	
C=CCC[C@H](NC(=O)C[C@H](NC(C)=O)c1cccs1)c1ccc(C(F)(F)F)cc1	441540396	BQFNRBAODSXWIZ-ROUUACIJSA-N	424.488	5.158	30	20	HKED	
CCC(CC)CN(CCC#N)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	444232382	QGHLWCJYMGYFHV-UHFFFAOYSA-N	412.603	5.596	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c2ccccc21	444260427	AKXKIUJXCCAPFF-UHFFFAOYSA-N	420.476	5.136	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)on2)c1	448311219	BQZLWILYGCNIKW-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
N#Cc1ccc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)cc1C#N	460103424	FQLPSDUDOMAXLD-UHFFFAOYSA-N	409.232	5.176	30	20	HKED	
C[C@H]1CN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCC1(F)F	460837151	BCAVIUTXLSFOKQ-GWCFXTLKSA-N	418.328	5.386	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2Cc2cccs2)cc1	461317056	IBTOTKTZHPWOKL-IBGZPJMESA-N	417.563	5.330	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NCc1cnc2ccc(C#N)cn12	468538797	YEFHVBRCSQXRQM-UHFFFAOYSA-N	415.884	5.032	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Cl)cc1F	470348822	ZXWGHTCOKHQIIB-UHFFFAOYSA-N	408.860	5.685	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H](c1ccccc1)C2	470403411	JNQUSQQVBPYKLI-HSZRJFAPSA-N	417.896	5.552	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(-c2ccncc2)cc1	470510663	ZVERRAZYAZPASU-LQGLAIQGSA-N	410.521	5.291	30	20	HKED	
O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	471840802	VIOSTUOKZOMNDR-UHFFFAOYSA-N	413.667	5.316	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	472816360	UXQXNXZCVHNNJQ-PKOBYXMFSA-N	404.491	5.046	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1	474428931	VJGXISXWQAQUKF-SFHVURJKSA-N	403.507	5.317	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC=C(c2ccccc2OCC)CC1	475565698	FXPMAKHQXBEALR-UHFFFAOYSA-N	404.554	6.258	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21	475570536	SXLXGJGZIUTKCQ-HSZRJFAPSA-N	405.586	6.501	30	20	HKED	
Cc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cccc1C(F)(F)F	476529452	BAPIOBATMBGIPN-UHFFFAOYSA-N	421.394	5.100	30	20	HKED	
N#CC[C@@H](CC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1	476663161	PJZCXKPKHLJHAV-SFTDATJTSA-N	415.562	5.119	30	20	HKED	
Cc1csc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1	482018574	WGAZSYSGWUDSTQ-UHFFFAOYSA-N	412.540	5.042	30	20	HKED	
CC(=O)c1ccc2cc(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1	482707364	SQZRXABJTUHYEB-INIZCTEOSA-N	418.518	5.454	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F	483011072	IFMNERSPGPUHMR-KRWDZBQOSA-N	400.425	5.961	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12	483236562	UYGHFJNWUZRXBT-LJQANCHMSA-N	417.465	5.208	30	20	HKED	
C=C(C)[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccc(F)c(F)c1	483282969	HAMHCMMRKGYJJT-FQEVSTJZSA-N	403.429	5.110	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1	483614673	MDSVLEYLEFWHKV-UHFFFAOYSA-N	421.447	5.184	30	20	HKED	
COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N[C@H](C)CC#N)cc1	484799332	QETKOHDXZCAZQV-FDCFBWIESA-N	411.505	5.152	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccnc1OCc1ccccc1F	485524837	STUSBNLWVCDBFL-UHFFFAOYSA-N	407.470	5.058	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	489402270	BJOZOXVNWBQVNF-UHFFFAOYSA-N	402.542	5.444	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3csc([C@@H](C)OCC)n3)o2)cc1	489791295	YUPYVMITJAMIHX-CYBMUJFWSA-N	403.529	5.148	30	20	HKED	
C=CCn1cccc1C(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1	490063967	SQISDBPOQBKONC-LJQANCHMSA-N	401.510	5.036	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1	492354823	WANCILCFMAWGBM-UHFFFAOYSA-N	410.443	5.278	30	20	HKED	
N#CCCCOc1cccc(CNc2cc(Cl)ccc2OC[C@H]2CCOC2)c1	494238618	RYBWCMGQVVYSEJ-SFHVURJKSA-N	400.906	5.050	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C	499320828	VLSZVJUNCNFBPK-UHFFFAOYSA-N	422.550	5.007	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1CC(C)C	500013056	WSGHEIVMVXXRKS-UHFFFAOYSA-N	419.504	5.093	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1	500902217	RSVWRAGYSSEYQK-GOSISDBHSA-N	422.500	5.427	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	501470916	AIOTXBVRBVOSNA-UHFFFAOYSA-N	414.505	5.509	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1	505982428	SKXOQRVBTILVHQ-FQEVSTJZSA-N	424.287	5.240	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1	511032225	RTLFHMHRODTLKV-JOCHJYFZSA-N	423.944	5.523	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	511142740	MZTCRDCJQDYOHY-UHFFFAOYSA-N	407.545	6.033	30	20	HKED	
COc1ccc(C)cc1-c1csc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n1	512100273	PCDYMZLFGMSUJC-UHFFFAOYSA-N	409.486	5.054	30	20	HKED	
CCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1OC	517343094	CSHJNRULSPMRQT-AWEZNQCLSA-N	413.688	5.049	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1C#N	518147784	UINNIYVMMIIKOP-CYBMUJFWSA-N	418.444	5.022	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	518255464	MXYCAFMIUJEVTH-QRWLVFNGSA-N	401.963	6.253	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1ccc(Cl)c(Cl)c1	518321122	HPKDOBFREIWHAC-MRXNPFEDSA-N	420.296	5.174	30	20	HKED	
CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	518489923	JKDUYQOCPGYFMM-JOCHJYFZSA-N	403.457	5.106	30	20	HKED	
CCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1OC	518709161	KRRYUVROFRCSHR-SFHVURJKSA-N	400.906	5.039	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2cccs2)n1	520907479	HPBIBDQIXHFYRH-AWEZNQCLSA-N	410.545	6.042	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCc1cccc(C(F)(F)F)c1	520941553	RIDXQJKGRWXWQF-HNNXBMFYSA-N	421.488	5.854	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1	521711488	ABOMZUMDRPXAIJ-UHFFFAOYSA-N	408.504	5.393	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OC(F)(F)F	521809718	GORQJKDAYDKMPJ-ZDUSSCGKSA-N	409.433	5.301	30	20	HKED	
COc1cc(C)c([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	522075289	ZDDDMKRKSLPVJL-GOEBONIOSA-N	413.543	5.147	30	20	HKED	
N#Cc1ccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1	522943655	YMLSKARUMISKFZ-XMHGGMMESA-N	405.457	5.116	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4cc(F)ccc34)cc2F)c1	524458943	OGILETPFUFCGQX-UHFFFAOYSA-N	417.415	5.078	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)C1(C#N)CC(C)C1	532332568	WDIOGFQWROGPLD-UHFFFAOYSA-N	404.489	5.610	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)c1	543618836	XIFMGUCRNSMMQQ-AZGAKELHSA-N	416.496	5.286	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCC[C@H]2CCCCO2)cc1Cl	546212966	KRQFPXLOAFZGQL-TZIWHRDSSA-N	411.933	5.466	30	20	HKED	
C=CCOc1ccc(/C=C\c2nc([C@H](OC)c3cccc(Cl)c3)no2)cc1OC	547181202	PSFVNRUNMWDGPD-FYJQUHEMSA-N	412.873	5.203	30	20	HKED	
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	550830795	HVNYOEMIHULDKN-CYFREDJKSA-N	410.583	5.489	30	20	HKED	
Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)ccc1C(F)(F)F	554261019	QKMSNHVZMDIKHQ-UHFFFAOYSA-N	421.394	5.100	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3csc(COc4ccccc4)n3)cc2)ccn1	554981904	IKSRVDMJFFAWOQ-UHFFFAOYSA-N	414.490	5.393	30	20	HKED	
CC(C)c1ccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c(C(C)C)c1	556624509	FVBGEMIBDJEXQE-JOCHJYFZSA-N	405.542	5.423	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(F)ccc(O)c3F)cc2Cl)cc1	558405193	UJGNQRVHNLNQGA-UHFFFAOYSA-N	400.768	5.240	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1	558742351	NIJCKSUBJDEAKQ-AWEZNQCLSA-N	410.930	5.204	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccoc1C	559962239	QZXWWVULXNXEKT-ZDUSSCGKSA-N	415.469	5.631	30	20	HKED	
N#CCCCn1cc(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)c2ccccc21	565570714	KLDOOFPSWDSRHQ-GOSISDBHSA-N	413.443	5.096	30	20	HKED	
Cc1sc(NC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)c(C#N)c1C	565738375	WGOOOWYLWSZFFW-UHFFFAOYSA-N	406.536	5.028	30	20	HKED	
Cc1noc(C)c1C(C)(C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	577903727	QQCVPLZRFDQZES-LJQANCHMSA-N	422.916	5.657	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCCc1coc(-c2ccc(C)cc2)n1	588298378	UTQDAEHQUAUPOL-UHFFFAOYSA-N	415.946	5.305	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@H](CCC)c2cccc(C(F)(F)F)c2)cc1	588711671	AHSDCNHMHZAYRI-LJQANCHMSA-N	419.447	5.284	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CCCCCC#N	588837297	BHWBZRGRNCHYHQ-PXNSSMCTSA-N	419.956	6.330	30	20	HKED	
N#C[C@H](C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1nc2ccccc2o1	591861680	ATAWHLJXKIQWGZ-SECBINFHSA-N	421.692	6.493	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cs2)cc1	603578203	LQHCBJJUYYMZFI-UHFFFAOYSA-N	405.523	5.131	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1ccc(C(=O)Nc2ccccc2)cc1	604007551	ARXDBMSROWKCCS-UHFFFAOYSA-N	420.472	5.610	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc4ccccc4s3)cc2)cc1	604461875	MWDGPXZUTRMAAK-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1	610350604	ROSSYTUIHLFOOA-DZGCQCFKSA-N	408.502	5.251	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3NCc3cccnc3)cn2)c1	610579526	HHEZGFWJWLQXRJ-UHFFFAOYSA-N	421.460	5.005	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC3CCN(c4ccc(C#N)cn4)CC3)s2)cc1	610809931	PSSPNWOMCRIPIV-KRWDZBQOSA-N	417.582	5.013	30	20	HKED	
CSc1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)ccc1NC(C)=O	612078890	ONBXXVUMRWSCOP-UHFFFAOYSA-N	400.503	5.019	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nc(-c2ccc(Cl)cc2)cs1	613319791	LAFFYNJSPZISMF-MRXNPFEDSA-N	422.872	5.483	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	615081559	YRFCAOCBIGFAEA-UHFFFAOYSA-N	412.942	5.229	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2)cs1	618798617	ZTDIRAOQGSEVDB-SPLOXXLWSA-N	402.523	5.038	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c(C)c1	676447235	IDLYUKYRAOCRKC-UHFFFAOYSA-N	419.525	5.089	30	20	HKED	
Cc1ccc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc2n1	677559069	CZHAXPKSBFVZGM-HNNXBMFYSA-N	411.408	5.662	30	20	HKED	
C=CCC[C@H](C(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1)c1ccccc1	681709620	KSALPUUVJOEENZ-QFIPXVFZSA-N	423.553	5.168	30	20	HKED	
Cn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2cc(F)ccc21	684631049	JXJPVQUDQIIMJW-ZDUSSCGKSA-N	417.387	5.436	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1OC	726370417	XOCFXLFTWHXKAZ-QPEQYQDCSA-N	419.481	5.085	30	20	HKED	
O=S(=O)(c1ccc(NN=Cc2c(Cl)ccc(Cl)c2Cl)cc1)C(F)F	726425060	WYJSNHKCVCSYJX-UHFFFAOYSA-N	413.660	5.089	30	20	HKED	
CC(=NNc1nc(-c2ccccc2)cs1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	727253140	BBXKGVJPYUANGZ-UHFFFAOYSA-N	411.443	5.079	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)cc1	727589198	MWENWEMMTNVMMI-VWLOTQADSA-N	406.489	5.410	30	20	HKED	
N#CCOc1ccc(CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1	729241393	ZQBKNLXNRAKCQN-UHFFFAOYSA-N	407.495	5.692	30	20	HKED	
N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3)s2)c2ccccc21	729940027	JEKFOPOGSFXLFA-UHFFFAOYSA-N	404.520	5.048	30	20	HKED	
CCc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	730955250	WECLBKXZGILZQO-UHFFFAOYSA-N	409.502	6.082	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCC(C)C	731326542	SZABHUZHURSUCR-UHFFFAOYSA-N	401.466	5.341	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1	732877533	FQMUSXYFJHGEDA-XMMPIXPASA-N	411.505	5.169	30	20	HKED	
C=CC[C@H](NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)c1ccncc1	734458652	CHJZNJFMCJBGHN-IBGZPJMESA-N	422.941	5.491	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(c2c[nH]c3c(CC)cccc23)CC1)c1ccncc1	734679787	JYYRQXMVMOLLFS-QHCPKHFHSA-N	402.542	5.332	30	20	HKED	
CCC(=O)c1cc(Br)ccc1OCc1cc(Cl)ccc1OCC#N	735231671	YWAVEYYTIIPDKR-UHFFFAOYSA-N	408.679	5.177	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	741113086	NBDHQRRWAYRNAK-IFXJQAMLSA-N	419.531	5.047	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc3c(c2)CCO3)c2cc(Cl)ccc2Cl)cc1	742263108	SDZKDCAPLSXRMW-QHCPKHFHSA-N	409.316	5.679	30	20	HKED	
CC(C)c1ocnc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	742783245	CESOATQTHINYPJ-UHFFFAOYSA-N	415.371	5.733	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	743132371	GORWWBMBCFYODI-UHFFFAOYSA-N	417.440	5.042	30	20	HKED	
CC(C)(CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	743449347	NROXEIPVXQTJKU-OAQYLSRUSA-N	412.489	5.494	30	20	HKED	
C=C(C)CCOC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	744304391	UHHRLSLBXHIGIA-AWEZNQCLSA-N	414.552	5.195	30	20	HKED	
CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cccc(C(F)(F)F)c2)cc1	744807309	VTXHWVUVHHNAQR-UHFFFAOYSA-N	420.460	5.170	30	20	HKED	
N#C[C@@H](C(=O)C1CC(OCc2ccccc2)C1)c1nc(-c2c(F)cccc2F)cs1	747114662	VHOHWSIKCSDQJJ-JCYILVPMSA-N	424.472	5.260	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1	748947099	FYPCEIDGCUKVBP-JOCHJYFZSA-N	423.875	5.139	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)OCc1ccc(OCC#N)cc1	750578868	SFQPYUQTSCOIEY-CQSZACIVSA-N	412.898	5.015	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	753274956	SDDVDLDKPVYLTB-XFXZXTDPSA-N	418.884	5.571	30	20	HKED	
Fc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1C(F)(F)F	755592244	GZNVPQYFKDQSLX-UHFFFAOYSA-N	414.815	5.264	30	20	HKED	
C[C@@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1cccc(C#N)c1	756625294	IWZQVWBATIPQJN-GHMZBOCLSA-N	424.136	5.201	30	20	HKED	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	762996299	RKZISDBHGHCVLY-DGFSRKRXSA-N	407.322	5.298	30	20	HKED	
COc1cc(/C=C(/Cl)c2nc3cc(C(F)(F)F)ccc3o2)ccc1OCC#N	764434788	ZEOLZDWQGKDMOX-MDWZMJQESA-N	408.763	5.494	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764751756	FJVPDNYDVJAZEH-VIFPVBQESA-N	410.326	5.129	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)cs1	766507740	XDLRQAUHIRPFAA-BYUJNSPJSA-N	420.509	5.986	30	20	HKED	
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	772236762	ISUCSKKASOGTID-CJFMBICVSA-N	413.521	5.147	30	20	HKED	
C[C@@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1cccc(C#N)c1	775335703	PEYZMUDJPOHLAO-SECBINFHSA-N	417.123	5.461	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2ccc(Br)s2)o1)c1ccccc1	775465807	YWGJTXQYLMBWNL-CQSZACIVSA-N	404.333	5.358	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C	780670217	JTAOAHLWVDXORN-CHWSQXEVSA-N	404.297	5.435	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	783090269	UJXGBVKQMZDEBO-HZMBPMFUSA-N	408.376	5.098	30	20	HKED	
C[C@@H]1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCC1=O	783354821	IEEPWCSFMGVBHU-JTNHKYCSSA-N	407.322	5.298	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2cc(Cl)cc(Cl)c2)cs1	790201222	AKPIFKJOWDUGBW-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@@H](C#N)c1nccc2ccccc12	790800664	RMVPSDBTGWGQLQ-HXUWFJFHSA-N	415.493	5.391	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1ccco1)c1cccc(Cl)c1)c1nccc2ccccc12	792097582	XKBQCKSJXKFCQZ-QFIPXVFZSA-N	415.880	5.364	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCc2cccc(Br)c2)s1	797567398	HQJBUQBJHAVQPQ-HNNXBMFYSA-N	405.361	5.402	30	20	HKED	
Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1	797569091	AMZDKFSTACZVJZ-SFHVURJKSA-N	423.538	5.043	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](c4ccccn4)C3)cc2Cl)cc1	799207350	CXLCDFXUSBTHFC-KRWDZBQOSA-N	418.884	5.420	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Oc1cc(Cl)cnc1Br	804594054	LABBIWNGJCRKEY-UHFFFAOYSA-N	414.568	5.127	30	20	HKED	
Cc1cccc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)sc12	808979328	IBAWOWJHYVUYGT-ZDUSSCGKSA-N	403.290	5.478	30	20	HKED	
N#Cc1c(F)cccc1/C=C(\Cl)c1nc(O)c2cc(-c3ccccc3)sc2n1	811688979	UWTCAEDBPUTHDS-SXGWCWSVSA-N	407.857	5.812	30	20	HKED	
N#CCCC[C@H](NCc1nc2ccc(Br)cc2s1)c1ccccc1	814304593	ORYUBVSYALILHB-INIZCTEOSA-N	400.345	5.584	30	20	HKED	
COc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OC1CCCC1	814574043	OBEHABWTRNXEJQ-NRFANRHFSA-N	407.514	5.573	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](C=NNc1ccnc2cc(Cl)ccc12)CC(F)(F)F	814693757	GNQFZOOVLYHLJG-GFCCVEGCSA-N	416.831	5.132	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)c1	901379015	UBYBBMVBJVPRRT-UHFFFAOYSA-N	413.276	5.149	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1OCc1ccc(C(=O)OC)o1	916134376	LFFAAZBSMCOADW-YFHOEESVSA-N	424.424	5.079	30	20	HKED	
Clc1ccc(CSc2nncn2N=CC(c2ccccc2)c2ccccc2)cc1	916546042	CFNJCOBOCMYKGL-UHFFFAOYSA-N	418.953	5.890	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COc2cccc3ccccc23)cc1	916952995	AAWUBNSMABNTKW-VGOFRKELSA-N	400.478	5.080	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	917043279	JVEKFLBNAVMGPT-HZPDHXFCSA-N	400.425	5.611	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	920112817	KLQKJXIXHBUDOY-KDOFPFPSSA-N	410.926	5.645	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806448	LKXKADYYBQDMLD-CQSZACIVSA-N	416.424	5.261	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1	1789006143	XXPJXSNMUNEDKY-UHFFFAOYSA-N	424.447	5.392	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccsc3)CCC2)cc1	1789451271	DNPVBJOVNIKZQS-OAQYLSRUSA-N	408.567	5.193	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)cc3F)CCC2)cc1	1789457959	IFHOUYOPJNJBDU-FQEVSTJZSA-N	422.500	5.047	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CCCC4)CCC3)cc2)cc1	1790289595	CWEBNBMGLWINTG-OVCLIPMQSA-N	413.521	5.052	30	20	HKED	
C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1	1792126646	IQHBFJODHVKPNF-NYCKFLRTSA-N	413.521	5.194	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2C)CC1	1827801570	MCQGZOXTRIORAY-QFIPXVFZSA-N	414.615	5.058	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C#N)C1	5383713	OZFIUBQBAYFWNV-LLVKDONJSA-N	417.918	5.585	30	20	HKED	
COc1ccc(CSc2nnc(S[C@H](C#N)Cc3ccc(C)cc3)s2)cc1	7441237	GBWDBRDOYUKLMD-SFHVURJKSA-N	413.593	5.374	30	20	HKED	
C=CCc1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc(OC)c1OC	10292982	HYCYUOSEISJDEJ-NRFANRHFSA-N	411.498	5.152	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)c(C)s1	11127644	HMDHAWBXPAENGG-UHFFFAOYSA-O	417.579	5.857	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(O)c(OC)c3)c12	12686943	BLRABFQFMVBFLL-MDZDMXLPSA-N	421.884	5.047	30	20	HKED	
CC(C)c1ccc(Nc2nnc(SCC(=O)Nc3ccc(CC#N)cc3)s2)cc1	20041455	QHCLOJHZKMKUQY-UHFFFAOYSA-N	423.567	5.202	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nc2ccccc2c1=O	26018682	YPLGCAVPFGNBQE-UHFFFAOYSA-N	409.898	5.183	30	20	HKED	
C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	60738403	BRZKRRUPXDFOIA-UHFFFAOYSA-N	415.660	5.301	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1	63961977	USPDVSJNEWNLLK-UHFFFAOYSA-N	410.399	5.201	30	20	HKED	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cccc(CC#N)c1	97392198	KUJHDVWAAVWTJZ-HZPDHXFCSA-N	409.917	5.061	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(N2CCC(O)CC2)cc1	97572477	AFGYOBFJGPWHQU-PKNBQFBNSA-N	407.897	5.457	30	20	HKED	
Cc1cc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n(CCC#N)n1	140806288	PFSRKHDUBIYYNI-UHFFFAOYSA-N	413.717	5.532	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)cc1OCCCC#N	237344001	KIKVMTBPXDFOHJ-LJQANCHMSA-N	401.510	5.291	30	20	HKED	
N#CCCn1cc(CNc2ccc(OC3CCCC3)c(F)c2)c(-c2ccccc2)n1	237706207	FNYUHYNRYZMVDU-UHFFFAOYSA-N	404.489	5.536	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4nccs4)cc3)c2)c1	303635349	PNRUHFPHGFYEBB-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
Cc1nc(CNC(=O)Nc2ccc(C#N)cc2Cl)oc1-c1ccc(Cl)cc1	426133214	HWXPKUWGYQGYJA-UHFFFAOYSA-N	401.253	5.150	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C/C=C/c2ccccc2F)cc1	426160509	JVDHQRXIZXXMSI-VMPITWQZSA-N	400.453	5.513	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1nc2ccccc2n1C(F)F	426512416	BIQUGLXUHFOFER-VIFPVBQESA-N	417.828	5.026	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COC(C)(C)CC)c1C	428764635	MXMRJWKNYDSNCV-UHFFFAOYSA-N	405.542	5.792	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)cc1	429904283	RVRCALDKMZXVIP-UHFFFAOYSA-N	402.519	5.125	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430611564	OOGQUCUMPNJRCY-CQSZACIVSA-N	403.529	5.341	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C	432781918	UJSANGMAHXOMNV-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c2cnn(C(C)C)c2n1	434025823	QBBWRCOAWNAHBS-JOCHJYFZSA-N	415.541	5.142	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1oc2ccccc2c1CSc1cccs1	437488111	CLMUEJULZDESET-QRWLVFNGSA-N	413.564	5.498	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC3CCC4(CCOCC4)CC3)c2)cc1	438660598	JTLNZQSQSBMFDP-UHFFFAOYSA-N	405.498	5.211	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1)c1ccccc1	440252393	FCTSFQYZMYCXGV-HXUWFJFHSA-N	401.432	5.424	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)N(C)Cc2ccc(C#N)cc2)n1	440300161	AUOIDIUACZSVIC-UHFFFAOYSA-N	423.904	5.124	30	20	HKED	
O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	441086357	DJLWKAMRKJJCQP-UHFFFAOYSA-N	422.291	5.530	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cc(NC(C)=O)ccc1C)c1ccc(C(F)(F)F)cc1	442209349	OOFZZEWEZCWJQE-IBGZPJMESA-N	419.447	5.801	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)Sc1ccccn1	442409492	RZCJDOAJYMWVCH-KRWDZBQOSA-N	405.498	5.115	30	20	HKED	
CCCN(C(=O)NCC1CCC(C#N)CC1)[C@H](C)c1ccccc1Br	442716653	CKWNFSPCRHRMPX-KLAILNCOSA-N	406.368	5.262	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1	447059645	MDFHHCATZJBYJY-ROUUACIJSA-N	408.571	5.564	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2ccccc2[C@H]1C	460767970	DAMPORFWVPUVCJ-YGOYIFOWSA-N	414.553	5.223	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1cncc2ccccc12	462423629	ANXASLJHNJGLFW-UHFFFAOYSA-N	423.491	5.720	30	20	HKED	
FC(F)(F)Oc1ccc([C@H](NCc2cncc(C(F)(F)F)c2)C(F)(F)F)cc1	463149540	LNSFHSBJNXBFPT-ZDUSSCGKSA-N	418.259	5.392	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)s2)cc1	463743620	HTBRTTGKHYJAQB-MRXNPFEDSA-N	418.305	5.120	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	464295471	LJPQIRHVIHBKAI-KKSFZXQISA-N	404.441	5.093	30	20	HKED	
CC(C)c1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c2cnn(C(C)C)c2n1	464934464	JMVYUYVJLLKLBU-OFNKIYASSA-N	415.541	5.048	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c2ccccc21	469421066	YAMJXZCWCOVWCR-UHFFFAOYSA-N	419.378	5.278	30	20	HKED	
O=C(Nc1ccccc1C#Cc1ccccc1)N(Cc1ccncc1)Cc1cccnc1	472889734	SLXVOKHXFCDHRT-UHFFFAOYSA-N	418.500	5.111	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473450368	AVCYAIYONOZGNN-DYVFJYSZSA-N	420.365	5.463	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1	475160267	WEOHVQRDFYQEAS-NRFANRHFSA-N	403.482	5.002	30	20	HKED	
N#CC[C@H](CC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1ccccc1	476721076	GSAJRCIHVZFIJF-XLIONFOSSA-N	418.484	5.409	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482399391	MRDLBXZPBQBBTP-INIZCTEOSA-N	415.337	5.022	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)c1ccccc1Cl	483973385	HWJBCRGXGVBRES-MRXNPFEDSA-N	400.265	5.205	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CCCC[C@H]1c1ccccc1	484628275	YKVZVHHRQSXHPP-GIVPXCGWSA-N	407.583	5.193	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1	487582605	LVCCYRCOZIWPDK-HSZRJFAPSA-N	400.478	5.246	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccccc3F)nc2)C2CC2)cc1	490197682	AVBGLYDRRQLBIV-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1	494076680	CXVLGGNWVDEUSN-LMNJBCLMSA-N	409.555	5.340	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2ccccc2C(F)(F)F)cc1	494728475	NUZWNXGHSHUUGD-UHFFFAOYSA-N	415.436	5.359	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COc1ccc(F)cc1Cl	500748105	TYZNMXLZAHFGSM-UHFFFAOYSA-N	410.832	5.469	30	20	HKED	
Cc1ccccc1SCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501484496	XYROEZSICFXYGQ-UHFFFAOYSA-N	402.519	5.371	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)n1	506000607	CDQRLRZVELMLCE-AWEZNQCLSA-N	420.494	5.676	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510090654	ZZHZAMXEYSUSEC-MRXNPFEDSA-N	422.344	6.136	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	511056150	JBKPEKQAKACROF-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nnc(C)c(C)c2C#N)cs1	511864321	VDHINVUDQIRAQD-UHFFFAOYSA-N	423.567	5.015	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@](F)(c4cccc(Cl)c4)C3)o2)cc1	512423758	KBWIUDZQFJOGIH-HSZRJFAPSA-N	424.859	5.095	30	20	HKED	
CCc1cc(=O)c2cc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)ccc2[nH]1	512573379	QZAJFBNBQGOKFX-UHFFFAOYSA-N	423.472	5.201	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C	513662265	YULOEZVHOFVFFE-OAHLLOKOSA-N	406.898	5.149	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)c1	517079733	JLBDPEYFDDIZJO-OALUTQOASA-N	415.320	5.039	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	517902679	JGCBXHAQCTXDHM-INIZCTEOSA-N	414.465	5.192	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	518205734	QQPCXIOMNPYNDN-VXGBXAGGSA-N	424.410	6.018	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2c(OC(F)F)cccc2[nH]1	518660801	BMHQFEFJFRXUFK-GFCCVEGCSA-N	401.438	5.273	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2	518683632	YRQQGLKNWILFFB-QFBILLFUSA-N	423.538	5.079	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2cc(C)sc2C)cc1OC	520206683	AKFUZJJOLIHAAP-ZDUSSCGKSA-N	410.377	5.552	30	20	HKED	
Cc1cc(CN(C(=O)CSc2ccc(C#N)cc2)C2CCCC2)c2ccccc2n1	520352193	LPCBOTINTZJRNH-UHFFFAOYSA-N	415.562	5.478	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1cccc2ccccc12	520819392	YISBJCOHYATPDV-ZWKOTPCHSA-N	420.603	6.667	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)cc1	521106312	JQKNPIMBDVEZEO-UHFFFAOYSA-N	405.885	5.567	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC=C(c2c[nH]c3ccccc23)CC1	522070906	QBUHZNFSFVHMEY-UHFFFAOYSA-N	418.500	5.284	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	522579615	WPUZBCXBGVAEDA-UHFFFAOYSA-N	408.404	5.299	30	20	HKED	
COc1cccc(-c2cc(NC(=O)c3sccc3C#N)n(-c3ccc(C)cc3)n2)c1	522680860	MRVVGSJZTUZELJ-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	523423012	GHXOCAOEWCDQEV-XMMPIXPASA-N	414.509	5.342	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1	524464055	UIBYLIZRJHSHBR-UHFFFAOYSA-N	424.363	5.064	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(C#N)cc1	531810912	HFJGHNVOEZLJDD-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@@H](C)c1cccnc1	534151460	OMOABPZQYHVIRJ-INIZCTEOSA-N	405.885	5.622	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1C)c1ccccc1	534637997	FRJACXMLQJQQRM-IBGZPJMESA-N	400.526	5.278	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1	534975032	CDJXCQNPTYLGCP-UHFFFAOYSA-N	409.505	5.639	30	20	HKED	
C=CCC[C@@H](NCc1noc(-c2ccc(OC)cc2)n1)c1ccc(C(F)(F)F)cc1	537132943	XBYVPXHSXJUZIL-LJQANCHMSA-N	417.431	5.561	30	20	HKED	
CSc1cccc([C@@H](NCCCC2(C#N)CCOCC2)c2ccc(F)c(F)c2)c1	538610274	VOBHEPLSHIEGNC-JOCHJYFZSA-N	416.537	5.466	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)oc2c(Br)cccc12	541096252	WLBITCYGEOSFJZ-LBPRGKRZSA-N	423.188	5.408	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N[C@H](c1cccc(F)c1F)C(F)(F)F	542204664	UYEVJSNQVLWCOQ-MLGOLLRUSA-N	411.292	5.421	30	20	HKED	
C[C@H](CN(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nccs1	542341165	RRQGUBZPUQRWDJ-CQSZACIVSA-N	411.914	5.336	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N	544416054	UTECFMRRXISCRW-UZLBHIALSA-N	407.539	5.039	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	548612348	KRWXAFYTYVHUQG-NRFANRHFSA-N	410.304	5.512	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)ccc1Cl	553007635	IEUIDRNCWHEJHA-UHFFFAOYSA-N	419.255	6.270	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	553338586	FUPHYOXKKAYNDG-HZPDHXFCSA-N	408.420	5.592	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC[C@@H]2CCCO[C@@H]2c2ccccc2)c1	557716651	YFPBASBAQUTCGC-RPLLCQBOSA-N	412.533	5.395	30	20	HKED	
N#CCCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(F)cc1	561796235	DFAYOTGYGBDIFA-UHFFFAOYSA-N	402.429	5.030	30	20	HKED	
C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1cccc(F)c1	565507905	BTNZBQCGGQNHDP-JOCHJYFZSA-N	401.489	5.017	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H](C)S1	567436451	OBTICDQMQWUWHF-HUUCEWRRSA-N	415.946	5.148	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(Br)cc2C(F)(F)F)ccc1C#N	569973254	BQOQSBGSFBROJN-NSHDSACASA-N	413.237	5.199	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F	571452584	XDVZNOGOMWUMLQ-QGZVFWFLSA-N	407.480	5.581	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cn1)c1ccccc1	571835751	MPQOZJSUAPAKAO-YJBOKZPZSA-N	405.523	5.466	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCC1(F)F	577639833	UOBKGMXHLGQJTB-KDOFPFPSSA-N	403.860	5.504	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)cc2)ccn1	579179569	WNEQTNLFTFYKJO-UHFFFAOYSA-N	414.440	5.206	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCc3sc(Cl)cc32)cc1C	580747353	OTJDGKZIVLFVKR-SFHVURJKSA-N	424.957	5.213	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	592974218	PDXQBRCRSHVHGS-OAHLLOKOSA-N	407.495	5.281	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603691299	NUTOSFAOXCTPIJ-MRXNPFEDSA-N	412.449	5.717	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2cccc(F)c2)CC1	606970376	COZVOSLRWLCJFL-IMRBUKKESA-N	412.349	5.024	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccn1	609208461	XYBVGEAGQVIOKW-NRFANRHFSA-N	416.481	5.417	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1	609253618	PUHGBRBJBDKJHP-FQEVSTJZSA-N	418.859	5.328	30	20	HKED	
CCCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1cc(Cl)ccc1C#N	609285951	HTDMZADRFZWRLH-UHFFFAOYSA-N	411.914	5.401	30	20	HKED	
Cc1nc(CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)oc1-c1ccccc1	609299409	RJCNOOQOKVRKRZ-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	609402914	HYJZSLQLOHOGIU-IEBWSBKVSA-N	418.566	5.831	30	20	HKED	
CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	609429509	GFCXTTFQPBGWLR-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1cc2c(cc1Br)OCO2	609431728	HSAPXGHMIWXRGF-GFCCVEGCSA-N	405.317	5.184	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)c4ncccc34)cc2)nc1	609498689	YNNZZSSTPBJUAH-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609501430	JUHTXYXCJPNQQI-UHFFFAOYSA-N	407.473	5.561	30	20	HKED	
N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(F)c1	609511878	REDAOZNCAHWQMG-QHCPKHFHSA-N	420.532	5.390	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccnc1	609662278	ZYRQSNPZERXVML-INIZCTEOSA-N	405.885	5.318	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)cc1	609696398	BKRKBUHTBNSCDS-QRWLVFNGSA-N	408.379	5.054	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cc2ccccc21	610662883	YUJIDESNEPKKEY-UHFFFAOYSA-N	422.204	5.198	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nc2ccccc2o1	614439803	KZCSOFJEVYIYIK-LJQANCHMSA-N	418.905	6.264	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cs2)cc1	624443436	SNLAZHBWTCQSJL-LJQANCHMSA-N	413.502	5.637	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(Cc2ccc(F)cc2)CC1	682079024	CZOGAHPGBNBUAA-CHWSQXEVSA-N	411.361	5.174	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1	682778022	WOIVPPFVKIHADG-JOCHJYFZSA-N	420.475	5.587	30	20	HKED	
CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726073816	HTLBJHAJGOKPRP-XMMPIXPASA-N	401.485	5.924	30	20	HKED	
Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2C)cc1	726570677	IFMMDCLIZRGEGN-UHFFFAOYSA-O	420.945	5.439	30	20	HKED	
COc1cc(C(=O)/C=C/c2cccc(OCCCC#N)c2)ccc1SC(F)F	726740576	KRBOYLRHZTWFPV-VQHVLOKHSA-N	403.450	5.589	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c(C)n1-c1ccc(C#N)cc1	728274021	SAFQZHXUHQLTOK-UHFFFAOYSA-N	424.460	5.063	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(SC(=O)N(C)C)c1	739550062	IXGHRZCYDAUBSU-UHFFFAOYSA-N	424.444	5.296	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740449347	XOYYHANNZJRPIN-UHFFFAOYSA-N	413.449	5.518	30	20	HKED	
COc1ccccc1-c1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1	741468360	VSYZJRMHBVECST-NVNXTCNLSA-N	413.517	5.219	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc2cc(F)ccc2s1	744117683	BCRPYAJCQOKWQC-RRFJBIMHSA-N	405.281	5.722	30	20	HKED	
Cc1cc(-c2noc([C@@H](C)ON=Cc3ccccc3Br)n2)ccc1F	744443730	NKONLBCWWGFHJN-GFCCVEGCSA-N	404.239	5.058	30	20	HKED	
CC(=NNc1oc(CC(C)C)nc1C#N)c1ccc2c(c1)Nc1ccccc1S2	745613685	YVKXIWJSGQTQLQ-UHFFFAOYSA-N	403.511	5.789	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)N[C@@H](C)c1ccccc1	745723954	GTQIQYMOPJMVOR-SFHVURJKSA-N	403.526	5.648	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)Sc2ccc(Br)cc2)n1	747199602	YGMBMCXLMNKFRJ-BXUZGUMPSA-N	409.374	5.386	30	20	HKED	
CCOc1c(OC)cc(/C=C2\COc3c(ccc(Cl)c3Cl)C2=O)cc1OC	750912891	IOASCOCCKJBADA-KPKJPENVSA-N	409.265	5.068	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	753396740	UXINKDLUORSZMS-SCLBCKFNSA-N	411.288	5.598	30	20	HKED	
Cc1ccc(OCc2nnc(SCC#Cc3ccc(C(F)(F)F)cc3)o2)cc1	754272915	FBNUBCJLRJGGKT-UHFFFAOYSA-N	404.413	5.120	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCc2sc(Br)cc21	754685801	IUCXXAIAPLLCIV-YRNVUSSQSA-N	403.326	5.242	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(F)ccc2F)cs1	757476531	WXBZQQRUCQANPR-WEVVVXLNSA-N	418.852	5.655	30	20	HKED	
C/C(=C/c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	759269762	VSJUSKXPIRAVTC-CPPNXCSESA-N	403.894	5.615	30	20	HKED	
C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Nc1ccc(F)cc1OCC#N	761662810	VMTVUOJDGODRNS-LLVKDONJSA-N	408.260	5.186	30	20	HKED	
CCCOc1c(/C=C\C(=O)c2cc(Br)ncc2F)cccc1OCC	762419408	ALIZWULKLIOPIB-HJWRWDBZSA-N	408.267	5.067	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1	763469841	CJCLLOOSELXTIM-MRXNPFEDSA-N	418.946	5.072	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	766259558	XAPZZPURFWDVOK-SFHVURJKSA-N	410.926	5.626	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2C[C@H](C(C)(C)C)c3ccccc32)ccc1OC	770609844	AIWYGFJOPNSLFV-ICSRJNTNSA-N	421.541	5.236	30	20	HKED	
CC[C@H](C)Oc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccn1	777565133	IXAJMZUCBFHGKC-MBSDFSHPSA-N	414.509	5.236	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1)c1ccccc1	777639448	GURHEBOTAXSXQC-QFIPXVFZSA-N	409.549	5.045	30	20	HKED	
C[C@@H](OC(=O)c1cccc(F)c1C#N)C(=O)N1c2ccccc2Sc2ccccc21	778368872	DDFFANDEAHPWPE-CQSZACIVSA-N	418.449	5.072	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1	780163116	RMHPGVSAARMHFM-QGZVFWFLSA-N	412.445	5.555	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCCN(C2CCC2)C1	781401946	OEYDKOBPVBSUIA-KIVTUJJHSA-N	416.569	5.117	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F	781444765	BTCAGMPOZRAECC-IBGZPJMESA-N	417.362	5.306	30	20	HKED	
N#CCC1CCN(Cn2nc(-c3ccccc3Cl)n(C3CCCC3)c2=S)CC1	781571301	BSEUJVRVBZWKBZ-UHFFFAOYSA-N	415.994	5.433	30	20	HKED	
C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782778241	PAKZTWMGUBCQMR-DLBZAZTESA-N	418.928	5.342	30	20	HKED	
Cc1cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)oc2cc1C	783077874	ZDQARHUTZIELDR-HXUWFJFHSA-N	424.456	5.803	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccnc4)n3)n2)cc1	783358217	YYYVNPYQNFEUDX-GOSISDBHSA-N	416.531	5.056	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nccc2ccccc12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	792098680	DSAWFDGVXPZNTJ-LMNJBCLMSA-N	421.541	5.084	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)s1	797572428	ZNYOGUGXVCEJMK-AWEZNQCLSA-N	410.436	5.507	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)cc1C#N	799332324	ARLZOVOJJJXZMB-UHFFFAOYSA-N	419.403	5.485	30	20	HKED	
Cn1nc(C(F)(F)F)c(CNc2ccc(F)cc2OCCC(F)(F)F)c1Cl	799973834	AXACNQARLOKVEK-UHFFFAOYSA-N	419.728	5.175	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C)Cc2cncc3ccccc23)cc1	805918688	AMRIUTOFHASCAB-GOSISDBHSA-N	402.494	5.062	30	20	HKED	
Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	806263084	ARBLDIWGDAGJHI-UZUQRXQVSA-N	423.582	5.224	30	20	HKED	
O=C(/C=C/c1nc2ccc(Br)cc2s1)c1cc(F)ccc1[N+](=O)[O-]	806559631	CUESLKLUHWQBRX-AATRIKPKSA-N	407.220	5.002	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(Cl)c1F)C(=O)Nc1ccccc1Oc1ccccc1	810529561	JFIYRKNFHOUQDD-QGZVFWFLSA-N	422.843	5.161	30	20	HKED	
CC(=NNc1cccc(F)n1)c1sc(-c2ccc(Br)cc2)nc1C	814927788	GMSDFLIKJDBZIQ-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1SC(C)(C)C	815607185	RROCNAQMHXTKJO-QGZVFWFLSA-N	409.599	5.583	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)C3CCC(OC[C@H]4CCCO4)CC3)cc2)cc1	815971935	SIRZTJRDANANDV-ZSHKSDETSA-N	421.493	5.010	30	20	HKED	
N#Cc1ccc(F)c(COC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	824923683	RQMZRUPTYWOAMU-UHFFFAOYSA-N	420.387	5.126	30	20	HKED	
Oc1ccc(Br)cc1/C=N/C1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	914702338	BDMUUMZIJKXDNE-COGJXASLSA-N	418.175	5.483	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Nc1cccc(C2SCCS2)c1	915333440	RRGACJZAVWAFRY-UHFFFAOYSA-N	415.609	5.092	30	20	HKED	
CCOc1ccccc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O	916273330	XLQJEWLTHMJNDF-UHFFFAOYSA-N	423.925	5.368	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	916848854	JGOFFDZQTMKRTG-DOMZBBRYSA-N	401.318	5.899	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2CSC)cc1	916947620	OTACYDTYIITQFX-KXBFYZLASA-N	420.534	5.770	30	20	HKED	
CC(C)c1cccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920142878	XBPSWXSYJSENBY-IERDGZPVSA-N	415.518	5.449	30	20	HKED	
CC(C)(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)s1	1787885719	GITVSBBJOQIRRB-UHFFFAOYSA-N	409.555	5.097	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccn(C)c34)CCC2)cc1	1791250225	KXHXNHDXOHDDIF-SFHVURJKSA-N	415.537	5.138	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC3(F)F)cc2)CCC1	1792249684	YRMYGUCDMGZAQD-OAQYLSRUSA-N	404.501	5.158	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828410467	SCKFPMQUANQGKF-FGZHOGPDSA-N	418.597	5.047	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c2)cs1	57650276	AADSNHIJEKUADJ-UHFFFAOYSA-N	423.563	5.485	30	20	HKED	
Cc1ccc(OCc2nc(CC(=O)Nc3sc4c(c3C#N)CCCC4)cs2)cc1	57771137	PWJLNVMSCHRXFD-UHFFFAOYSA-N	423.563	5.024	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)CC(C)C)c1	64772036	ITRIHWZUJDJZKI-UHFFFAOYSA-N	419.978	5.284	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1	65839493	YZRBOJXZPAZLGH-UHFFFAOYSA-N	412.489	5.614	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1	97543300	XVALEZWDJBYWER-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cccnc1Sc1ccc(C)c(C)c1	108954368	YHQTWAIULOKTIN-UHFFFAOYSA-N	403.507	5.372	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1C(F)(F)F	323197110	FBMDHBZPVNQRAQ-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccn(C2CCCC2)n1	431544027	PBUALVFLNMRKJM-UHFFFAOYSA-N	415.497	5.292	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@@H](C#N)CCc1ccccc1	433221948	SKFPXPRZEXZAKP-HXUWFJFHSA-N	412.493	5.350	30	20	HKED	
CS[C@@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1	435601065	IXGRWXKWXGBWGK-LJQANCHMSA-N	413.518	5.026	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1cccc(Cl)c1	438061158	RXQIYRAHSDDYRS-HUUCEWRRSA-N	403.935	5.181	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	438083583	YBHQCBBCPCDLFW-KSSFIOAISA-N	403.935	5.101	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	438209164	SBGBKHZMAPJFMV-RDJZCZTQSA-N	414.387	5.150	30	20	HKED	
N#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(Cl)c1	439444651	XNZPYULHZVWEFR-MRXNPFEDSA-N	406.757	6.014	30	20	HKED	
C[C@H](Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1)C(=O)N(CCC#N)c1ccccc1	439573376	SELIAYMUHRKGHF-TYBLODHISA-N	419.569	5.529	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1	439641913	DKIXNDFBEBBPCG-QGZVFWFLSA-N	403.457	5.546	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1	440391696	OOAZAHQTOKQOMS-LSYYVWMOSA-N	422.528	5.564	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2o1	443536146	ZZCRTLMHEJQNQM-CYBMUJFWSA-N	423.188	5.408	30	20	HKED	
CCN(C(=O)c1cn(CCCC#N)c2ccccc12)c1cccc(Br)c1	443950163	HDHBDBRAZWMNKK-UHFFFAOYSA-N	410.315	5.374	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	444000752	FPNWYKXKEPSHIF-OAHLLOKOSA-N	413.502	5.328	30	20	HKED	
C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc(Br)cc1	460368772	JDEGXCKLHOBEOK-LJQANCHMSA-N	424.346	5.020	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	461009045	PVIBGBPRSVQYMZ-UHFFFAOYSA-N	400.931	5.007	30	20	HKED	
CCCc1nc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)no1	462190043	PAWBKUYXSPDCBA-UHFFFAOYSA-N	402.376	5.317	30	20	HKED	
CN(Cc1ccco1)Cc1ccccc1CNc1c(C#N)cnc2c(F)cc(F)cc12	462877354	PVEISHAGQMWOAD-UHFFFAOYSA-N	418.447	5.222	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cnnc(-c3ccccc3)c2)cc1	463462821	ZHAOXPWYPKDLRQ-UHFFFAOYSA-N	420.472	5.041	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)cc1	464955476	UUNTXAXIMKTYPZ-FTJBHMTQSA-N	421.500	5.049	30	20	HKED	
COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c1	465661375	PTCIFVVESDTQSZ-QMHKHESXSA-N	419.912	5.370	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1	466350279	QBJUNZARJLULJS-OAHLLOKOSA-N	407.926	5.906	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(Cl)c1F	466757960	ZSAMNNVKHZUJHQ-CYBMUJFWSA-N	408.951	5.603	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccsc2)C1	467916769	WVQRWCSZIIIFGT-JOCHJYFZSA-N	419.506	5.326	30	20	HKED	
Cn1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c2)cn1	468937620	KFZLTVKDMRXFCE-UHFFFAOYSA-N	408.465	5.031	30	20	HKED	
CCCn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc2ccccc21	469177828	PZSHAPXVVWHZEA-IBGZPJMESA-N	410.502	5.537	30	20	HKED	
COc1cc(OC)cc(N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	470481594	IIUVEFMXAOHBLZ-UHFFFAOYSA-N	418.518	5.144	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@H]1c1ccccc1	472752989	PBPSVLIBXKRZPT-SFHLNBCPSA-N	407.583	5.986	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1cccc(F)c1	472764067	GYHKJNGVFRYLSH-VFNWGFHPSA-N	420.513	5.360	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCNc1ccc(-c2ccccc2)nn1	475543248	BTFOOOFFWVAGLC-UHFFFAOYSA-N	415.541	5.229	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(Cc2ccccc2C)CC1	475546092	FTUOYJTZEQXKFS-UHFFFAOYSA-N	405.586	5.633	30	20	HKED	
C=CCn1c(SCc2ccnc(C)n2)nc2sc(-c3ccccc3)c(C)c2c1=O	475940804	RJYKPFAWMRWGLE-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC1CCC1)c1ccccc1	477938537	KPHUDKQKCIYGDM-DYESRHJHSA-N	421.566	5.067	30	20	HKED	
COc1ccc(Cl)c(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	479561962	ZYOXNOMCMINEGP-CQSZACIVSA-N	420.987	5.615	30	20	HKED	
Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	479628062	IMAXZYRFWZVAGM-LJAQVGFWSA-N	420.559	5.149	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@](C)(CC(=O)OC)c1cccc(F)c1	482211953	PCLFYVFIODDUSR-XMMPIXPASA-N	412.505	5.278	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1	488382602	CXMQJGCHNAHADQ-XMMPIXPASA-N	419.546	5.349	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2SC)nnc1-c1cccs1	489431070	RIHRSWQDHPAVBS-UHFFFAOYSA-N	416.597	5.035	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)cc2)nc(C)n1	492048840	WNGVGWVHVTWCMM-IBGZPJMESA-N	422.282	5.138	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](c2ccncc2)C(C)C)cc1	493975965	FNNROGVIGZFTHU-QHCPKHFHSA-N	401.466	5.132	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOC3(CCC3)C2)cc1Cl	494197617	HEBVEFLWKGVNBZ-ICSRJNTNSA-N	409.917	5.219	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cnn1-c1ccccc1Cl	499804931	DPJQTYLXFCMQIK-MRXNPFEDSA-N	419.699	5.136	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccncc1	501131510	XVJDKEQMVGFRCO-ZDUSSCGKSA-N	424.917	5.083	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)oc12	502303025	DOOUIYFZNOAFOO-KRWDZBQOSA-N	415.493	5.263	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1	503217305	NKYWBQAYRVRUCJ-UHFFFAOYSA-N	412.799	5.310	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	505310077	HWJPMGCYCFIYGG-DUXKGJEZSA-N	403.551	5.791	30	20	HKED	
COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)N1CCC(C)(C#N)CC1	506701782	OBXDGWVZXDQGDV-UHFFFAOYSA-N	417.918	5.013	30	20	HKED	
COc1cc(C)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	507255305	FODADWUMGFTTQW-LBPRGKRZSA-N	423.346	5.986	30	20	HKED	
FC(F)Oc1ccc([C@H](NCc2nc3ccccc3n2C(F)F)C(F)(F)F)cc1	510472571	AJZJCTUXYQCCQO-HNNXBMFYSA-N	421.316	5.426	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3cscc3C#N)ccc2OC(F)F)cc1	511838737	QICNZOKBYUINEV-UHFFFAOYSA-N	400.406	5.149	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc(C(F)F)c3)cc2Cl)c1	511941093	VBSTUTDWDPEMHL-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
CCCC[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(OC)cc1	517147589	VXFUTRUHAZETAS-XMMPIXPASA-N	421.541	5.051	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	517528985	DLDOLDHRUOZVOP-QFBILLFUSA-N	423.538	5.221	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c1	517646346	WBNJIBMJEFQGSZ-IBGZPJMESA-N	417.509	5.041	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4F)o3)n2)cc1	517800685	BBHDHORAFADBQX-QGZVFWFLSA-N	418.449	5.708	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2-c2ccccc2C1	518751238	LIHMFQLBAMLVOQ-GOSISDBHSA-N	413.546	6.296	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc(C)nc21	519424937	MOYHXAZNVIWVOF-GDBMZVCRSA-N	407.543	5.215	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc1OC	521386860	JWICTRFHAKKRSY-SFHVURJKSA-N	402.494	5.685	30	20	HKED	
Cc1nc(CCC(=O)N(Cc2ccco2)c2ccccc2C#N)oc1-c1ccccc1	521607994	VOKSROZKEIGRRD-UHFFFAOYSA-N	411.461	5.281	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)s1	521656350	CGWWSJGGCJBXOX-OAHLLOKOSA-N	406.511	5.649	30	20	HKED	
CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1	525458598	NQRDOMIRXLSVFC-RTBURBONSA-N	402.416	5.250	30	20	HKED	
N#Cc1ccsc1NC(=O)CN(Cc1ccccc1C(F)(F)F)C1CCCC1	532965883	UMDWLLVMBYKQIT-UHFFFAOYSA-N	407.461	5.022	30	20	HKED	
CCN(CCc1nccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	533138770	UKAQUDURDKAALS-UHFFFAOYSA-N	410.474	5.043	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1	533294748	DDASLWOAWHQCBG-GOEBONIOSA-N	416.616	5.040	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(C(F)(F)F)cc1	534848867	WOCNNEUAOLDXJI-CVEARBPZSA-N	410.461	5.451	30	20	HKED	
CSc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1C	538237817	MIGPXUUREOVUNB-UHFFFAOYSA-N	404.539	5.363	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)c1	539173278	PANRJHAXQLOWLQ-UHFFFAOYSA-N	411.933	5.141	30	20	HKED	
CCCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](c1cccnc1)c1ccc(F)c(C)c1	539655615	YSLPWZQWNHQBQG-QHCPKHFHSA-N	423.438	5.321	30	20	HKED	
COC[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	540163000	IRXDWNXEGTZCFB-IAGOWNOFSA-N	409.345	5.815	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	540402644	YILRQTPBQMVFJG-NRFANRHFSA-N	401.470	5.060	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1cccc2ccccc12	541499326	IUVRGHTYSOHHHS-HSZRJFAPSA-N	415.493	5.106	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543033480	CEXFRKCUTIMJRQ-QZTJIDSGSA-N	404.535	5.041	30	20	HKED	
COc1ccc(-c2nnc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1	543870127	ONOBGTQFWWMNCY-KRWDZBQOSA-N	410.477	5.135	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1)c1nc(-c2cn(CCC#N)c3ccccc23)cs1	547254674	WTRZYZGPDMFUOO-KRWDZBQOSA-N	414.534	5.212	30	20	HKED	
CC(C)c1ccc(-c2ncc(CN3CCC(C#N)(c4ccccn4)CC3)s2)cc1	548865942	RGYHHRIUVJQKAC-UHFFFAOYSA-N	402.567	5.386	30	20	HKED	
COc1ccc(NC(=O)c2cscc2C#N)cc1OCc1ccc2ccccc2n1	550632004	YGEWQEQTJBNUSD-UHFFFAOYSA-N	415.474	5.008	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21	553665091	JLJQCTJSIZUGJH-XJKSGUPXSA-N	417.987	6.093	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](c4ccccc4F)C3)cc2)cc1	561847517	OVZGWHWKXMYLFB-HXUWFJFHSA-N	400.453	5.314	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C1CC1	574358248	OWCJLHMIHWZBQU-UHFFFAOYSA-N	414.509	5.119	30	20	HKED	
N#CCCCCCc1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	589084512	KLSXNMDKJSPJIB-UHFFFAOYSA-N	414.509	5.152	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nc2ccccc2[nH]1	592975444	DUBJNHQRNSHIJL-CQSZACIVSA-N	409.417	5.383	30	20	HKED	
N#Cc1c(NC(=O)CSCc2ccc(F)cc2)sc2c1-c1ccccc1CC2	603990960	IOMSPBCKCLYEJH-UHFFFAOYSA-N	408.523	5.396	30	20	HKED	
CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c2cnn(C(C)C)c2n1	604415719	BYVLWDBGDSJYGY-CQSZACIVSA-N	421.570	5.446	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)N(CC)CC)cc1	606759194	WVPLCBJPRYMXIX-UHFFFAOYSA-N	420.431	5.005	30	20	HKED	
CC(C)N(CCC#N)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12	609071933	VMPDQQAFTCPQKL-UHFFFAOYSA-N	407.945	5.426	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cccc(COC3CCCCC3)c2)cc1	609097567	GXLAFGXRWBBCLU-XMMPIXPASA-N	403.526	5.015	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccn1	609206446	JZXQFNPKSNBZKP-OFNKIYASSA-N	418.928	6.053	30	20	HKED	
CN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1ccc(C#N)cc1F	609298748	RYCVZQXVRWAKEC-UHFFFAOYSA-N	420.387	5.601	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	609384996	CPCRFTAIEFJYGK-KSFYIVLOSA-N	415.990	5.517	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccccc1C(F)(F)F	609386969	BGFGQSHXUMYOTF-KGLIPLIRSA-N	407.461	5.396	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1nc(-c2cccs2)no1	609428349	BARPBJWPISLKTN-AWEZNQCLSA-N	412.540	5.154	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(NC(=O)C2CC2)cc1	609434715	LFLMCEQPWCMRKU-CVEARBPZSA-N	422.554	5.312	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1	609435213	YLVIRGGBJDQMJK-QAPCUYQASA-N	422.579	6.060	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609497167	YWRYWWWODYUYFQ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CCCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1cccnc1	609522773	LQRLTYZFVHPSMF-VWLOTQADSA-N	401.485	5.053	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1	609785005	VYEKQIWLHWXAGT-UHFFFAOYSA-N	407.813	5.093	30	20	HKED	
COCCCCN(Cc1ccccc1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609987438	WZBTVBXFWRJLQF-UHFFFAOYSA-N	413.521	5.371	30	20	HKED	
CSCc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1F	610468063	XSMCOZXZLVEFJY-CYBMUJFWSA-N	424.444	5.807	30	20	HKED	
CC(=O)N(c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1)c1cccc(C)c1C	611389530	YQHCWVHGBFLGLD-QGZVFWFLSA-N	404.539	5.167	30	20	HKED	
CSCc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)oc2ccccc12	611807567	RZEZEHUJONIFLX-UHFFFAOYSA-N	422.897	5.259	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	613290819	NBFYFRXZQUSQAU-KRWDZBQOSA-N	403.894	5.810	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)cc1	615370504	LNSSHBWIHLRYPQ-UHFFFAOYSA-N	403.269	5.035	30	20	HKED	
Cc1ccc(-c2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)n[nH]2)o1	618598970	LVEFNLRRQQELRO-UHFFFAOYSA-N	414.490	5.394	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H]4CCc5cc(C#N)ccc54)cc3)o2)c1	618739787	RZDGOBDQEJYXFY-HSZRJFAPSA-N	420.472	5.001	30	20	HKED	
O=C(Nc1cc(Cl)ccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642436097	NCUZIAXNFRVWBD-MBTKJCJQSA-N	406.729	5.510	30	20	HKED	
C=CCn1c(SCCOc2c(Cl)cccc2Cl)nnc1-c1ccncc1	645072817	SGLYBCUWUZTKLU-UHFFFAOYSA-N	407.326	5.004	30	20	HKED	
Cn1ccc([C@H](NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccc(F)cc2)n1	679768858	VQZFFXDBNYVBPN-GDZNZVCISA-N	423.376	5.148	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1c1ccsc1	685543745	RBJRMAWKLVXYPV-QGZVFWFLSA-N	400.935	5.196	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl	726435366	RAJFPCIVEPSTCJ-UHFFFAOYSA-N	403.898	5.564	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	728765706	OSOUKWQTKBOJQJ-WFASDCNBSA-N	418.440	5.694	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)c1	729371382	DLZNHYCRFOHUMT-UHFFFAOYSA-N	414.530	5.137	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1	729647758	DFANENRYUQNSBM-IBGZPJMESA-N	413.905	5.196	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)N[C@@H](C#N)c3ccccc3Br)ccc2c1	733266116	FPYQQYCVJIOPOF-OQFUBPRESA-N	421.294	5.005	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(-c3c(F)cccc3F)o2)cc(OC)c1OC	734366399	QFDORAGFFYXKQZ-CLFYSBASSA-N	400.377	5.147	30	20	HKED	
N#CCCCCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1	735044478	NFCHHSOCWZLXMY-UHFFFAOYSA-N	413.477	5.155	30	20	HKED	
CC(C)Cn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccco1	735231526	WGYAUQMXLUQCOS-UHFFFAOYSA-N	402.907	5.042	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2C)cs1	739423770	CSSRGGKOPVGLEB-XFFZJAGNSA-N	421.478	5.249	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)s1	740022624	NLVOFJSEQAPBOI-UHFFFAOYSA-N	412.858	5.170	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(N4CCCCC4)cc3)c2)s1	740427342	IQNCPTVQCKUAPI-UHFFFAOYSA-N	416.550	5.599	30	20	HKED	
COc1cccc2cc(/C=C3/COC/C(=C\c4cc5cccc(OC)c5o4)C3=O)oc12	741447218	JARWBEBVMHJZQV-MJZABRMRSA-N	416.429	5.263	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C2(Cc3cccc(Cl)c3)CCCC2)c1	741564640	ISXCYUDIBUKLNM-OAQYLSRUSA-N	410.945	5.440	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(-c2ccncc2)cc1	745990191	MZGVDBZYLKUXMW-VOTSOKGWSA-N	412.470	5.497	30	20	HKED	
Cc1ccc(CCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	746416821	QBKNMLJFNBRTLX-KRWDZBQOSA-N	403.309	5.362	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(N2CCOC2=O)cc1	748584861	VKVXNACPUHFRCC-VGOFMYFVSA-N	417.436	5.257	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(C)cc2C)cc1	751013970	LIUYJCBZJUHDDZ-UHFFFAOYSA-N	403.507	5.785	30	20	HKED	
Clc1ccc(C#CCSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1	754267534	FAKWGRXRWBFSDF-UHFFFAOYSA-N	416.937	5.186	30	20	HKED	
N#CCOc1ccc(CNC(=O)c2cc(Cl)ccc2SC2CCCC2)cc1	755237371	WPQJPMHOWSQGOP-UHFFFAOYSA-N	400.931	5.207	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NC[C@H](O)c3cc4ccccc4s3)c2)cc1	757567244	XVTTXRRMJUSVND-NRFANRHFSA-N	414.486	5.029	30	20	HKED	
C#CCCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1	757926130	XALZJZROVDGBLR-QGZVFWFLSA-N	422.472	5.144	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCSc2nccs2)cc1	758536055	ORVVBBCDSZEQGA-LJQANCHMSA-N	408.552	5.102	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc2cc(Cl)ccc2s1	759221805	OWJORPIJPSRBDG-FYCOFBDGSA-N	424.312	6.041	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(F)cc2F)CCCC1)c1nc2cc(F)ccc2s1	760988378	XBZTWSGOVQKLFE-AWEZNQCLSA-N	400.425	5.402	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CCCC1(C)C	770467624	OKCDCZJWYWOUBT-KRWDZBQOSA-N	400.910	5.521	30	20	HKED	
C=CCc1cc(CNc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cc(OC)c1O	770578386	BQHBLDMWWDVWAQ-UHFFFAOYSA-N	424.541	5.269	30	20	HKED	
O=C(/C=C/c1cnc(C2CCC2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771100442	YKYBAWAFEXCWKA-KBOKABMXSA-N	401.503	5.394	30	20	HKED	
N#C[C@@H](COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1cccs1	772732914	KQGNVIIKPRRFGP-LBPRGKRZSA-N	422.453	5.430	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	772983553	KVMLYPVFUILOAF-FPOVZHCZSA-N	421.541	5.797	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2cn[nH]c2)CC1)c1ccc(C(F)(F)F)cc1	774764707	ZCRXPVYXYNABQT-LJQANCHMSA-N	406.452	5.025	30	20	HKED	
O=C(/C=C\c1cc(Cl)cc(C(F)(F)F)c1)c1ccc(N2CCC(O)CC2)cc1	780186851	NMYMUMNGNOICOI-BHQIHCQQSA-N	409.835	5.216	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	781448134	MJLKKCYKXHHSEV-QFBILLFUSA-N	420.534	5.191	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2)o1	784832010	XDISIMAXHFGXSA-HXUWFJFHSA-N	422.440	5.700	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C1/CCc2cc(C#N)cnc2C1=O	788356245	LPNWYHPWPLINJA-SXGWCWSVSA-N	423.303	5.026	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nccc3ccccc23)c1	792104025	NJABJNSJXQIIAK-OAQYLSRUSA-N	412.518	5.006	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)cc1	793198816	MRAPSZSVWAFNFC-HXUWFJFHSA-N	411.343	5.098	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)c2)cc1	796745070	KLOXKIOVDSCTPB-SFHVURJKSA-N	410.882	5.038	30	20	HKED	
N#C[C@H](C(=O)CO[C@H]1CCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	797552141	UAPZJGPJANMXSJ-IERDGZPVSA-N	424.472	5.359	30	20	HKED	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	798008228	DGBZFXNHEZYIGZ-CCDWMCETSA-N	411.505	5.418	30	20	HKED	
CC(C)n1ncc2cc(/C=C3\Cc4ccc(Br)cc4C3=O)c(Cl)nc21	800795993	GYZHERXWDNJVGG-WUXMJOGZSA-N	416.706	5.251	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2c(C#N)cnc3c(Cl)cc(C)cc23)ccc1OC	801671708	YOBWFDRMQQYHOO-KRWDZBQOSA-N	420.900	5.370	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1	802041935	JFZQPOPUGUGVKC-AGRHKRQWSA-N	420.406	5.577	30	20	HKED	
N#C[C@H](C(=O)C1CCN(C2CC2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	805856923	HLYXBLXHMXDOFK-MRXNPFEDSA-N	420.365	5.168	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	810529630	KYXAFEURSXOUOV-INIZCTEOSA-N	422.884	5.325	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813217909	QHFCYRKNPGTZMX-ABAIWWIYSA-N	400.322	5.174	30	20	HKED	
COc1cc(N[C@@H](C)c2cccc(C#N)c2)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC	864003064	AVKIWUIGTHKJJY-KSZLIROESA-N	421.541	5.152	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1	915057750	LPQQKKRKAKKPGZ-QGZVFWFLSA-N	406.338	5.264	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1=S	915208876	IXLLYUQHTMKBGD-NSHGMRRFSA-N	412.603	5.134	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	916918482	PQFWHLVSUOCOGY-UWJYYQICSA-N	400.478	5.080	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(Cl)c2ccccc21	916932315	SLUJKKQSJJGXRK-GFCCVEGCSA-N	420.683	5.100	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	918035807	KTPDULBBVSOSOS-RUZDIDTESA-N	411.505	5.571	30	20	HKED	
CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)[C@H](C)c1cc2ccccc2o1	920087348	NUSTVPJYIJPYTF-VQIMIIECSA-N	410.477	5.053	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c3ccccc3n(C)c2s1	920106156	LJBRZZIHGVWCNW-KRWDZBQOSA-N	411.486	5.388	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1	920803774	CDDSUMDLQCKLQV-BCPZQOPPSA-N	423.469	5.588	30	20	HKED	
CN(C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)C1(C#N)CCC1	921166506	WHNDQIRNLAIWGN-UHFFFAOYSA-N	420.310	5.183	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F	921261962	XOFFVZXZWDFQCX-DAXSKMNVSA-N	415.751	5.094	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc[nH]3)CCC2)cc1	1785842147	QINBOMHAPYJZGB-UHFFFAOYSA-N	407.558	5.074	30	20	HKED	
C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)CC1	1831562453	PFADLYIDJFIQOL-GMKZXUHWSA-N	414.634	5.016	30	20	HKED	
C=CCn1c(SCC(=O)C(C)(C)C)nc2scc(-c3cccs3)c2c1=O	5077521	SRKCBYYMPKBALS-UHFFFAOYSA-N	404.582	5.080	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2C)cc1	22695896	GCYLWUMYAAVAPH-UHFFFAOYSA-O	409.600	5.656	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1cc(C)ccc1C	22729825	HUFHMTXSVMPAHJ-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
Cc1ccc(CN(CCC(=O)Nc2sccc2C#N)CCc2ccccc2)s1	24216466	NEZUWBURPZYCTB-UHFFFAOYSA-N	409.580	5.063	30	20	HKED	
COc1ccc(C(=O)C2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c34)CC2)cc1	195664056	NZTSPWSSFFEHCM-UHFFFAOYSA-N	423.875	5.007	30	20	HKED	
N#C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1	303224649	VXBJIKKNFVUPEB-QFIPXVFZSA-N	424.422	5.208	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1ncc(-c2ccccc2Br)o1	303934452	RHOQSCTYOKOVFQ-UHFFFAOYSA-N	410.315	5.388	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1	432636594	BQOHVMVPFPUTDN-UHFFFAOYSA-N	416.319	5.042	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)CN[C@H](CCCC#N)c3ccccc3)c2)cs1	433013888	PWGNGCRMEZDKPJ-OAQYLSRUSA-N	404.539	5.082	30	20	HKED	
N#CCCC[C@H](NCc1ccc(I)c(Cl)c1)c1ccccc1	433019351	NELXLWHLOBJEPM-SFHVURJKSA-N	424.713	5.469	30	20	HKED	
CC(C)(C)c1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	433675259	AXMSWYPXCQXEQM-UHFFFAOYSA-N	408.552	5.252	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(OCC2CCCC2)CC1	434158168	SHMDSCMADVCVDX-UHFFFAOYSA-N	420.578	5.521	30	20	HKED	
C=CCC[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1	435274225	HJOMVQQOGKCRSP-GOSISDBHSA-N	424.595	5.257	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c(F)c1	435450225	ANHJZWGOBDJXLI-UHFFFAOYSA-N	417.418	5.210	30	20	HKED	
CC[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCS1	437885301	BDWXBEJCJIQWHZ-KRWDZBQOSA-N	401.919	5.363	30	20	HKED	
C[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1cccc(Cl)c1	438069768	CMZJLTVIPZYGEI-HUUCEWRRSA-N	403.935	5.323	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)o1	438502239	OCKCUBUAJBIGFH-YADHBBJMSA-N	414.509	5.769	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccco4)C3)cc2Cl)cc1	441218897	URGHYRCPYGJTSR-OAQYLSRUSA-N	423.856	5.202	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)[nH]c3ccc(Cl)cc23)cc1	443538416	DZMWUVQMQYVLHC-UHFFFAOYSA-N	407.901	5.196	30	20	HKED	
Cc1cc(CNc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)ccc1C#N	444005515	XBSHDXRZNBPPOG-UHFFFAOYSA-N	409.489	5.497	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)n[nH]2)cc1C	444457708	CTRXAOKAIKMJGN-LJQANCHMSA-N	423.501	5.179	30	20	HKED	
N#CCCCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1	461788496	XBUQZFBLOYBKGH-UHFFFAOYSA-N	421.366	5.404	30	20	HKED	
Cc1ccnc(Oc2cc(NCC(=O)Nc3cc(Cl)ccc3C#N)ccc2C)c1	462173364	BRZVBPCKAHOLEE-UHFFFAOYSA-N	406.873	5.066	30	20	HKED	
Cc1cc([C@@H](NCC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)ccc1F	462174074	FOGPBZLBDIEPQR-XMMPIXPASA-N	421.903	5.171	30	20	HKED	
Cc1nc(NC(=O)[C@@H](C)c2cccc(C#N)c2)sc1Cc1ccc(F)c(F)c1F	462325358	GHMKOZLUUBPHFG-NSHDSACASA-N	415.440	5.074	30	20	HKED	
FC(F)Oc1ccc([C@H](NCc2cncc(C(F)(F)F)c2)C(F)(F)F)cc1	463163053	LNLFGKVZRINXEP-ZDUSSCGKSA-N	400.269	5.095	30	20	HKED	
CC(C)(C(=O)Nc1ccc(C#N)c(F)c1)c1csc(-c2cc(F)ccc2F)n1	464634584	BDDJADXUPWFWKD-UHFFFAOYSA-N	401.413	5.015	30	20	HKED	
C=CCn1c(SCCCSCC#N)nc2scc(-c3ccccc3)c2c1=O	466618962	OAKICFKVQPFJGQ-UHFFFAOYSA-N	413.593	5.050	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2cccnc2)c1	467342328	SVMQONLWSDSVMN-QGZVFWFLSA-N	402.523	5.322	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1-c1ccc(Cl)cc1	470981544	CZVRZYXBWZUFFR-LAUBAEHRSA-N	413.908	5.438	30	20	HKED	
COCCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(Cl)c1	473483381	OLKLRXPFZNIXHR-AWEZNQCLSA-N	421.305	5.118	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	475553401	OYBRRRNCRZIOIB-JOCHJYFZSA-N	405.586	5.225	30	20	HKED	
CSc1nc(O)c(C(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)cc1C#N	476715383	VBTKSZAPDDOAFE-LJQANCHMSA-N	423.563	5.085	30	20	HKED	
CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	477508980	JOABCHBSKUNMFE-HNNXBMFYSA-N	403.448	6.122	30	20	HKED	
CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	480737608	VTBYQSLOLOLBQD-UHFFFAOYSA-N	415.518	5.020	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nccc2ccccc12	483222788	CUGSLRQSXNPLLY-MRXNPFEDSA-N	407.260	5.217	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	484566985	NKYXECRYLRATRX-SFHVURJKSA-N	423.419	5.613	30	20	HKED	
N#CCCN(C(=O)CCCc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2	486553367	ZSRYTTCEYDWTEK-UHFFFAOYSA-N	407.583	5.330	30	20	HKED	
Cc1ccc(OCc2nc(CC(=O)N[C@@H](CCCC#N)c3ccccc3)cs2)cc1	487296006	GOKBMPUCAXULKI-QFIPXVFZSA-N	419.550	5.124	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc2c(F)cc(Br)cc2[nH]1)c1ccccc1	487395851	ZEAHWOGCGISRDY-KRWDZBQOSA-N	414.278	5.234	30	20	HKED	
CCCN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCCc2cccnc21	487815916	IDGABYFQZSUMHS-GOSISDBHSA-N	413.319	5.037	30	20	HKED	
CC(C)(CCC#N)CN[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	487994740	QPERBPYKPCPNGJ-LJQANCHMSA-N	403.448	5.305	30	20	HKED	
COc1ccc(NC(=O)[C@H](Sc2ccc(C#N)cn2)c2ccccc2)cc1Cl	495272123	KBKDXOKJZVMCNJ-HXUWFJFHSA-N	409.898	5.087	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@@H](c2cccnc2)c2cc3ccccc3o2)cc1	498761842	AXFIQKKCLCIZCF-NDEPHWFRSA-N	415.496	6.246	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)sc2cccc(F)c12	499386879	FBSPBQHNCXLBPO-AWEZNQCLSA-N	403.276	5.106	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1nc(-c2ccccc2)oc1C	500764354	BZFVYWVVTPTPBM-UHFFFAOYSA-N	423.472	5.804	30	20	HKED	
C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	503145748	BOTLOWXLDLHUPW-YADARESESA-N	421.541	5.048	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl	503222005	DKGQREYRENYVLJ-LRDDRELGSA-N	420.365	6.197	30	20	HKED	
Cc1cc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)nn1-c1cccc(C#N)c1	504088723	KDGGEFHSVOFZFZ-UHFFFAOYSA-N	414.415	5.250	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	505213274	JWKBCTVUWFDZLI-UHFFFAOYSA-N	415.877	5.442	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	507874988	SFYLHITYNKGEIX-UHFFFAOYSA-N	402.498	5.001	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccs1	508276974	YAIHZAYLBHTIIK-GOSISDBHSA-N	407.495	5.693	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1	510744465	HDULVZGVLFFAJV-LJQANCHMSA-N	421.541	5.171	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccco4)s3)n2)cc1	510769148	ZVKXUYFAXNANTI-CQSZACIVSA-N	407.476	5.025	30	20	HKED	
N#CCCn1cc(/C=C\c2nc([C@@H](F)c3ccc(Cl)cc3)no2)c2ccccc21	512018491	YDWOMHCTTZSPPE-OMCJBDSBSA-N	406.848	5.821	30	20	HKED	
COc1cc([C@@H](C)NCc2cc(F)c(C(F)(F)F)cc2F)ccc1OC(F)F	516799454	ZADNOQYDHGGWLK-SECBINFHSA-N	411.317	5.444	30	20	HKED	
N#Cc1cc(NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)ccc1F	517904018	CTYPFJDZUOFPGA-SFHVURJKSA-N	410.449	5.159	30	20	HKED	
Cc1c(Br)cccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518895304	QGGKAHBDAGEWNQ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CC(C)Cc1ccc([C@H](C)NC(=O)CNc2ccccc2SC[C@H](C)C#N)cc1	521726745	NXELUJFMZZNROS-MOPGFXCFSA-N	409.599	5.426	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	524028301	MKDHTSWIWNLSPU-HXUWFJFHSA-N	401.535	5.137	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1	534733887	XYAPOOZCQNSICY-QAPCUYQASA-N	415.946	5.419	30	20	HKED	
C=C(C)Cn1c(SCc2ncc(-c3ccccc3C)o2)nnc1-c1ccncc1	535265991	ZVNLZYNUITWAMF-UHFFFAOYSA-N	403.511	5.172	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)N3CCCC34CCCCC4)s2)cc1	536285154	IDZAVQKOTCCVKR-UHFFFAOYSA-N	413.572	5.033	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)s2)cc1	537093547	RKWWMRMZSIOSMZ-UHFFFAOYSA-N	421.831	5.530	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCOc2c(Cl)cccc21	539461882	UEXPVMGSHHHJNT-WMLDXEAASA-N	415.946	5.770	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Oc4ccnc5ccccc45)cc3)cc2)CC1	539622958	HJNQKZOBFDOKQH-UHFFFAOYSA-N	405.457	5.835	30	20	HKED	
CSc1cccc(F)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	540840859	VMQGHJGPZMULIC-KRWDZBQOSA-N	410.901	6.109	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C2CC2)cc1	541429999	DUCWVLDKUXRSDN-UHFFFAOYSA-N	403.482	5.186	30	20	HKED	
CCN(CC)CCCC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	543880983	XEOBNBABUNVJFO-LJQANCHMSA-N	416.635	5.447	30	20	HKED	
Cc1sc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)nc1-c1ccc(Cl)cc1	544471276	NINNZRHLJOPRSR-KGLIPLIRSA-N	424.957	5.321	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	548958639	CAONKVCEUXWSDQ-MRXNPFEDSA-N	417.534	5.186	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(O)ccc3Cl)cc2Cl)c1	550227306	RFFPGQJRINSJHI-UHFFFAOYSA-N	413.260	5.402	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1C	552245620	ICYHINISLSRCEY-UHFFFAOYSA-N	401.253	5.123	30	20	HKED	
C=CCC(C)(C)CNCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1	555591267	VCZSWGQDXIYMHW-UHFFFAOYSA-N	411.493	5.538	30	20	HKED	
CCCN(C(=O)Cc1c(F)cccc1C#N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	570479095	AEFMBMUMZBKEAT-RUZDIDTESA-N	419.475	5.111	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)cc1	572829860	WEFOSNLCBDEISA-FQEVSTJZSA-N	416.444	5.001	30	20	HKED	
C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccccc2n1C(F)F	574263482	AJTMMMZZWACPLC-MRXNPFEDSA-N	402.448	5.821	30	20	HKED	
Fc1cncc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1	577403290	DZEBWLFGIHVAPC-CYBMUJFWSA-N	420.250	5.652	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1	589384380	CMRDYMLPVLOLBT-UHFFFAOYSA-N	400.837	5.650	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccccc2F)n1	590450590	FYVPQHSRBISUEE-UHFFFAOYSA-N	422.554	5.610	30	20	HKED	
CCc1nc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1	608841538	ROWXKTMKHSCJQE-IBGZPJMESA-N	424.957	5.379	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	609077885	GQIWMFLUOYZIDB-UHFFFAOYSA-N	405.523	5.366	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	609191495	JOKPIRFKWHMYEU-UHFFFAOYSA-N	409.477	5.160	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnn1C(C)(C)C	609378363	DZIOAZNTNBRHIM-UHFFFAOYSA-N	410.465	5.223	30	20	HKED	
CCc1nc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2nc1CC	609427822	PONZZFDLISCYMP-OAHLLOKOSA-N	404.539	5.401	30	20	HKED	
CC[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc2c(c1)OCCO2	609433345	VHNAPZAMVQZUNW-XMMPIXPASA-N	414.505	5.149	30	20	HKED	
COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	609435324	HEKDNLJHTKFVLF-IEBWSBKVSA-N	409.555	5.328	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(F)cc1F	610015931	WAQUROWSGNXEEN-FQEVSTJZSA-N	408.408	5.297	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	610053515	JWIGCCSVLYFQTQ-IBGZPJMESA-N	416.525	5.199	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3NCc3ccco3)cn2)c1	611203043	WVPVYCYDAUOLRS-UHFFFAOYSA-N	410.433	5.203	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157692	MKBBYNCQGVMRAO-GHMZBOCLSA-N	415.349	5.009	30	20	HKED	
C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1Cl	727491247	LIOSRSWSVGFTRL-DHDCSXOGSA-N	423.346	5.359	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(OC)c(OC)c2)CC3)cc1	727780320	KWYIMIOLJXSLTF-VBKFSLOCSA-N	407.491	5.048	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1c(F)cccc1F	728062148	GGXBOCBIJNZJRF-INIZCTEOSA-N	421.447	5.163	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2cccnc2C)C(=O)c2ccccc2)c(Cl)c1	728785582	HJRPNAIODRINKV-ZHZULCJRSA-N	404.897	5.565	30	20	HKED	
COc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1O	729557539	SSDVUFZAXRLRJT-LJQANCHMSA-N	421.884	5.031	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2C)cs1	731320766	YWFUIFAMTPFYTJ-UXBLZVDNSA-N	414.889	5.825	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3csc(C4CCCC4)n3)cc2)nc1	732398745	CGHBKKBXKFWODB-UHFFFAOYSA-N	405.479	5.217	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1	733850518	PSXWQHWEEQXISH-RDPSFJRHSA-N	416.525	5.286	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(F)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1	736272754	CGWHVJFOEWZZPI-UHFFFAOYSA-O	419.973	5.441	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1-c1ccc(Cl)cc1	740048123	QOIBWFYGIZXHKA-KRWDZBQOSA-N	419.912	5.470	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)c1	741068533	QJJNFFHJFXDJRF-UHFFFAOYSA-N	410.477	5.048	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	744016417	MZBUZRQUOHXLRX-OKZBNKHCSA-N	411.288	5.478	30	20	HKED	
CC(C)=CCOc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	744031161	RSOILCXGKZMFDH-KRWDZBQOSA-N	417.292	5.300	30	20	HKED	
N#CC1CCC(COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1	755977028	NDXOQUDLYMNJAS-IRZJEQJZSA-N	424.928	5.074	30	20	HKED	
COc1ccc(C[C@H](C)C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1F	758097846	XOWXJXGMZRBUOL-AWEZNQCLSA-N	418.925	5.084	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1OCC#N	761670750	UFTWZJNKNDMLHK-IBGZPJMESA-N	409.486	5.204	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1	763007862	BBSVYJMCKXUKIX-XMMPIXPASA-N	414.505	5.021	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3ccc(Cl)cc32)ccc1OC	772986627	PNPBOVFCGLWSHG-MJGOQNOKSA-N	400.906	5.033	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc3ccccc3c2OC(F)F)c1	772986874	ZZQMIXCOUCQJJA-APWZRJJASA-N	410.464	5.973	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)ccc21	780154331	PWSPPALVUHIANJ-CYBMUJFWSA-N	416.403	5.179	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Br)c(C(F)(F)F)c1	780162671	WUJJYVXHNGOGHK-JTQLQIEISA-N	413.193	5.011	30	20	HKED	
COc1c(Br)cc(Cl)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780575302	BQVKWCKTWQCIFT-SNVBAGLBSA-N	424.682	5.046	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N	780670068	NXKAOGJLJXFXSW-ZBFHGGJFSA-N	406.511	5.292	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)Nc4ccccc4O[C@H](C)C#N)CC3)c[nH]c12	780673846	FCYQIPGMMHIAER-QGZVFWFLSA-N	416.525	5.433	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	781552138	PTFUEJAONMYLKC-NTEUORMPSA-N	418.880	5.447	30	20	HKED	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1	782382674	VQBAKUCZPVFHQD-LJQANCHMSA-N	415.512	5.052	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(N2CCOC2=O)cc1	782779476	ZSLFLIDKTDUWPK-MOPGFXCFSA-N	411.505	5.594	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(Nc3ccc(C(F)(F)F)c(Cl)n3)ccc21	786819662	RSVRCWDPYZAUIS-UHFFFAOYSA-N	408.811	5.080	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CSc2nc(C)cs2)cc1	789889409	MSHFXQABJMNFLB-UHFFFAOYSA-N	422.619	6.848	30	20	HKED	
Cc1c(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cccc1NC(=O)c1ccccc1	790377245	PJWVPCWUADWNMP-UHFFFAOYSA-N	422.406	5.256	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3ncc(C(C)(C)C)s3)cc2c1C	790603022	IKBFUVLETCNZDJ-VOTSOKGWSA-N	400.525	5.041	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C34CC(c5ccccc5)(C3)C4)n2)cc1	791781352	BDFXBOFDBSHELW-NNAHLOSHSA-N	400.503	5.117	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	796754555	AIOCVSAFHGXDRZ-HNNXBMFYSA-N	420.460	5.128	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)s1	797570459	HCRMMQWFUZXUJQ-HNNXBMFYSA-N	422.472	5.538	30	20	HKED	
CCOc1ccccc1OCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915085873	GBHCPPSYVPXNAB-HSZRJFAPSA-N	414.505	5.538	30	20	HKED	
CCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	916918231	OCLVVTPFIFDBSV-JOCHJYFZSA-N	412.489	5.103	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1	917046550	KWZKBLRHWDBRKP-INIZCTEOSA-N	423.950	5.801	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)s2)cs1	917561752	MBJILYLYRIAKEL-QPJJXVBHSA-N	423.346	6.092	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C\C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1	918155786	JMGOQCAPZRVWFR-WCIBSUBMSA-N	402.924	5.368	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	920266131	YIFBVLBZPDETCM-QGZVFWFLSA-N	414.461	5.014	30	20	HKED	
C[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc2)CCC1	1789193445	ZBQOLOULPFOBFA-XWDORNJCSA-N	414.615	5.045	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](C)Oc3ccccc3)cc2)CCC1	1791146509	IJIQKXCREFMLCG-PMACEKPBSA-N	420.553	5.190	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCC)cc3)CCC2)cc1	1791586218	ULILIVLDRMUNPG-UHFFFAOYSA-N	418.537	5.027	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCn3cccc3)cc2)CCC1	1791901123	RRWRRPHPGGWEFV-QHCPKHFHSA-N	419.569	5.171	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592142	RBHBPAPVCOUZJB-DYESRHJHSA-N	408.546	5.051	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830349188	DBYRXMVRLQGRGS-MDRMPYQZSA-N	414.634	5.345	30	20	HKED	
C=CCNc1nnc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1	5782861	KTYVORNZYRAPGK-IBGZPJMESA-N	406.536	5.334	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccc(F)cc1	22300847	GRRKANZEIHGBJY-UHFFFAOYSA-N	421.497	5.286	30	20	HKED	
CC(C)(C)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)NCCc2ccccc2)cc1	22735075	IIAIMFUEMOOJRC-UHFFFAOYSA-O	417.598	5.043	30	20	HKED	
C=CCn1c(SCc2cccnc2)nc2sc(-c3ccccc3)c(C)c2c1=O	27812257	APNNYPKFZDRPNZ-UHFFFAOYSA-N	405.548	5.307	30	20	HKED	
COc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)ccc1OC(C)C	46779351	RZDNIEZOAWWIDK-UHFFFAOYSA-N	416.477	5.185	30	20	HKED	
Cc1cc(C)c(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1	58428432	YEQBFWCTOCXTRP-UHFFFAOYSA-N	413.521	5.579	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)cc2)cs1)c1ccc(F)cc1F	96924451	HDXFHRGJQNQMIN-CLFYSBASSA-N	418.852	5.655	30	20	HKED	
Cc1cccc(CSCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	108371708	IAKJYXPBZPAQIE-UHFFFAOYSA-N	416.546	5.512	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2\SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1	110653180	HLHUXEYXCMBUND-AXIYWZQUSA-N	417.412	5.079	30	20	HKED	
CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nn(CN(C)C[C@H](C)C#N)c1=S	116144278	ATWGEBDVELMSCP-CYBMUJFWSA-N	412.390	5.093	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12	303246292	ASIOHSPHPJIXKB-MRXNPFEDSA-N	413.502	5.999	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)c1ccc(OCc2ccccc2)cc1	303246581	LWBSVLBXYDMUQS-VWLOTQADSA-N	412.489	5.049	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)cc1	303317655	QLDAMEPEKQHMNV-JOCHJYFZSA-N	406.432	5.525	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1	430643197	QNRLGMGSWHXRPT-FQEVSTJZSA-N	415.518	5.381	30	20	HKED	
CO[C@]1(C)CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	431901764	JURGIHFAMAZIIJ-NFBKMPQASA-N	411.933	5.418	30	20	HKED	
C[C@H](NC(=O)CN[C@H](CCCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	433027334	KFEMQHXMVBLGNL-MGPUTAFESA-N	404.341	5.195	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2cccc(Cl)c2)C1	433319907	SKPUBQSDOOOGBE-WMZOPIPTSA-N	413.974	5.162	30	20	HKED	
N#Cc1ccc(C2(C(=O)N[C@@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)cc1	436413769	IIRSNLPYJSWFBP-HXUWFJFHSA-N	417.509	5.046	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1Oc1cccnc1	438234375	KZTCFZJGGFVNAR-DHIUTWEWSA-N	412.493	5.486	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cccc2ccccc12	439578507	XECMEKUBODLDQO-UHFFFAOYSA-N	415.474	5.008	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)cnn1-c1cccc(C#N)c1	439684433	LDBOUBKVRDWVGQ-DEOSSOPVSA-N	403.530	5.051	30	20	HKED	
CCCc1c(NC(=O)c2cccc(-c3ccccn3)c2C)cnn1-c1cccc(C#N)c1	440090471	HAQQSFYFPIWRKX-UHFFFAOYSA-N	421.504	5.319	30	20	HKED	
C[C@@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cccc(C#N)c1	442792594	QTLJXSSHFBVABF-OAHLLOKOSA-N	400.869	6.120	30	20	HKED	
CCCCCc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	446513735	WXERNGWVUIZGSG-KRWDZBQOSA-N	409.555	5.391	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](OCCC)CC1	460808785	YTCGGFUOICCLAR-FQEVSTJZSA-N	414.619	5.240	30	20	HKED	
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)C2	463484672	NOCLWLGTXWRWJN-VWLOTQADSA-N	412.489	5.005	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@](C)(C#N)C(C)(C)C	464169587	ONOIXFXSFYRYSS-XCLFUZPHSA-N	405.951	5.061	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1)c1ccccc1	464465569	GUWGHCVEHYXDRD-QRWLVFNGSA-N	410.395	5.730	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2c(F)cccc2Sc2ccccc2)cc1	464480854	KSKHJKKUFXYQFU-UHFFFAOYSA-N	421.497	5.537	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Nc1cccc(OCCCC#N)c1	468322915	YQDAILUHHSGNFR-LJQANCHMSA-N	406.530	5.700	30	20	HKED	
C[C@H](CC(=O)N(CCC(F)(F)F)CC(F)(F)F)c1ccccc1C(F)(F)F	468533312	UGVWCPYRKPXNFU-SNVBAGLBSA-N	409.292	5.542	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	475899001	LUPUFPZCQYDYGR-HSZRJFAPSA-N	419.475	5.413	30	20	HKED	
C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	480155003	SBNQRZFUJNGFEA-OAHLLOKOSA-N	406.873	5.624	30	20	HKED	
CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C#N)cc2)n1	484915262	WUPRUZOIAHDMBX-QFIPXVFZSA-N	417.534	5.196	30	20	HKED	
C=CCOc1cccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)c1	487129267	QFCOZUSQCJVIFZ-GOSISDBHSA-N	420.534	5.041	30	20	HKED	
COc1ccc(Nc2nc(C(=O)N[C@H](CCCC#N)c3ccccc3)cs2)cc1	487422758	WRDDWNKAELLPMP-LJQANCHMSA-N	406.511	5.060	30	20	HKED	
CC(F)(F)c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	490125848	RWUPCJOZTFDPHA-UHFFFAOYSA-N	422.500	5.892	30	20	HKED	
C=CCC[C@@H](C(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1	490284717	LQPNIUQUVJMLGH-HXUWFJFHSA-N	405.567	5.131	30	20	HKED	
COc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(OC)c1C(C)C	495335390	GHLRWQYKOOTPBU-UXHICEINSA-N	407.514	5.131	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1	501227695	DIGMWGGXYITVQN-QHCPKHFHSA-N	410.537	5.327	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC	502648437	CJFRXCQQNKYBTQ-UHFFFAOYSA-N	403.438	5.320	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	503188321	ISURFZCRWXQSFD-DNQXCXABSA-N	419.484	5.949	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1	505034222	BNYZZEUJYUCQRB-JOCHJYFZSA-N	406.917	5.502	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1	506332280	RKPMBKUOFMOKCR-OAHLLOKOSA-N	401.310	5.197	30	20	HKED	
CC(C)N(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	509195639	OLEFSPRPLATMMK-UHFFFAOYSA-N	409.873	6.039	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3SCCC#N)c2)cn1	510867300	OWWHLHDLLWGHHL-UHFFFAOYSA-N	403.507	5.227	30	20	HKED	
C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511416094	RFDQBUVOLPJHBJ-YADARESESA-N	421.541	5.048	30	20	HKED	
COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)ccc1OCc1ccccc1	512654686	OADFMVJQHPVDIN-QZTJIDSGSA-N	404.485	5.697	30	20	HKED	
C=CCc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc(OC)c1OC	515593860	YYVZIHVNOZDENA-UHFFFAOYSA-N	419.525	5.053	30	20	HKED	
CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OCC	517800767	GQGMZVHLTMZTAA-SFHVURJKSA-N	422.506	5.106	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(NC(=O)CCCCOc2cccc(C#N)c2)s1	518361817	GVVJKLHYBFMYMK-HXUWFJFHSA-N	420.538	5.139	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)c2)cc1	520531719	YYJVEGYDCDNECW-UHFFFAOYSA-N	423.428	5.448	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C	523768047	CZKZGRUTKLKGIE-DENIHFKCSA-N	411.505	6.069	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1	524382982	GXIYNYIBANBNCJ-UHFFFAOYSA-N	400.356	5.130	30	20	HKED	
CCC(CC)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)on1	525545928	ZRBKIGCMFNXECI-UHFFFAOYSA-N	407.445	5.420	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21	534478116	UJLYAZSRSVMIOD-ZWKOTPCHSA-N	419.554	5.127	30	20	HKED	
C=CCN(C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C1CC1	536813396	BDMGEZRXYVPOGI-UHFFFAOYSA-N	421.394	5.279	30	20	HKED	
C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1OCc1ccccc1	538232379	ADYPYVDMTFLEDS-GOSISDBHSA-N	410.477	5.038	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1	538808029	SOWCLOGTWKXLIT-KRWDZBQOSA-N	418.516	5.030	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	539209449	BLYRYMFGANNBHV-SFHVURJKSA-N	416.500	5.128	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc3[nH]ccc3c2)cc1	539398070	ZLAXCTQPNHPEMU-UHFFFAOYSA-N	409.489	5.384	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)cc1	544221434	SJSUROPMYLZOMN-JOCHJYFZSA-N	417.553	5.139	30	20	HKED	
C=C(C)[C@H](Cc1nc(-c2cc(Br)cc(C(F)(F)F)c2)no1)OCC	545785799	JOBXRDMZDRPXCA-ZDUSSCGKSA-N	405.214	5.042	30	20	HKED	
C=C(C)COc1cccc(NC(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c1	548944020	FFNCIECZENDTMA-UHFFFAOYSA-N	407.392	5.176	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1	549293987	GLWJECRQFDDWHA-LIRRHRJNSA-N	402.416	5.029	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2cccs2)cc1	551529930	LFPIRPPFSWSAMG-BXKMTCNYSA-N	400.551	5.660	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc(-c2ccc(C)cc2C)nc1C	557599749	JMGZBUURTRGFIU-UHFFFAOYSA-N	410.539	5.039	30	20	HKED	
CCOCCCn1c(NC(=O)c2sc3ccc(C#N)cc3c2C)nc2ccccc21	573509226	KAQNYSYVPFFOLG-UHFFFAOYSA-N	418.522	5.110	30	20	HKED	
CSc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	574145933	MXVARNXRPFAKEY-OAHLLOKOSA-N	404.495	5.350	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)CCCCC4=O)n2)cc1	577923384	FDZDCCIRLIGSQQ-FQEVSTJZSA-N	416.502	5.218	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)cc1Cl	578788770	IQGIMHGWWCJBTB-JOCHJYFZSA-N	422.912	5.035	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	589363817	RFKLKWKSVVQNFV-MRXNPFEDSA-N	402.454	5.027	30	20	HKED	
CSCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)oc2ccccc12	603613565	AZTSIKAHRUJFDM-ZDUSSCGKSA-N	411.433	5.531	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N(Cc1ccccc1)Cc1cc[nH]n1	605408475	RHPZCZZIICTRNT-UHFFFAOYSA-N	412.518	5.105	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C(=O)c2ccccc2)CC1	606831009	YQEWMYIMTQWJAI-UHFFFAOYSA-N	417.427	5.005	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC4(CCCCC4)CC3)c2)cc1	608841536	RLRPKSGOZWPDSS-UHFFFAOYSA-N	417.553	5.910	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1	608995889	KOTKHZOFJWQSEQ-UHFFFAOYSA-N	407.905	5.087	30	20	HKED	
CCc1c(C)sc(NC(=O)CSCc2cc(-c3cccs3)on2)c1C#N	609031829	XKLKWWLMTJERQI-UHFFFAOYSA-N	403.554	5.079	30	20	HKED	
CC(C)(C)c1ccc2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)[nH]c2c1	609185105	OWLHTTBPDMKLLW-UHFFFAOYSA-N	401.510	5.021	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NC(=O)NCc3ccc(C#N)cc3F)cc2)c1	609240542	NVTRXIUORBPQPK-SFHVURJKSA-N	417.484	5.145	30	20	HKED	
N#Cc1c(NC(=O)CCCCOc2ccc(Br)cc2)sc2c1CCC2	609407221	RVRBAUDQWYCCLK-UHFFFAOYSA-N	419.344	5.059	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609505323	WYIRZMFRZOEUCP-UHFFFAOYSA-N	413.502	5.803	30	20	HKED	
N#C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C1CCCCC1	609648679	OAJZWEZCSDBVRW-IBGZPJMESA-N	409.946	5.547	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609928351	RRLVTOXGFGIKBM-MRXNPFEDSA-N	420.900	5.494	30	20	HKED	
Cc1nc([C@H]2CCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1	609975969	ZAVHSKQWALUGDL-LJQANCHMSA-N	422.872	5.063	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)N[C@H](C)c3cccc(C#N)c3)cc2c1	610357272	JSCMKKNYPAEETP-GOSISDBHSA-N	413.477	5.679	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	610666235	WGIQPRDQFXZJEE-KGLIPLIRSA-N	424.957	5.765	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	610973808	YSHQAWLGOGOADO-FXUDXRNXSA-N	421.385	5.240	30	20	HKED	
C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl	611237664	AUNRUPFJZOBOSR-GHMZBOCLSA-N	415.242	5.806	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	613404741	VKDDSIDZLPELSZ-INIZCTEOSA-N	407.445	5.958	30	20	HKED	
CSc1nccn1-c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	613407233	MRIHQMSKRFZZLK-OAHLLOKOSA-N	424.938	5.347	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2)n1	618750541	QBAHESDDQCQTGO-LJQANCHMSA-N	406.536	5.283	30	20	HKED	
C[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485703	VWJCVOKICKOLOV-BZNIZROVSA-N	423.328	5.169	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1	726478344	KGTUKNADZQCPPH-UHFFFAOYSA-N	418.909	5.993	30	20	HKED	
Cc1cc(C(=O)OCC(=O)Nc2ccc(CC#N)cc2)sc1-c1cccc(Cl)c1	726655607	RTIHRYHQIONAHX-UHFFFAOYSA-N	424.909	5.239	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@@H](c1ccccc1)C(C)C	728766719	HPLGXNFCVBISHP-QZTJIDSGSA-N	412.917	5.134	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	729421022	VEECONGMSTYGJK-QGZVFWFLSA-N	423.538	5.372	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(OCC#N)cc2)cc1C	729685555	XYALQGBBPHUSJL-UHFFFAOYSA-N	422.532	5.348	30	20	HKED	
COc1ccccc1C[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	730686078	CVVONKZNVZRBOM-FXAWDEMLSA-N	404.535	5.572	30	20	HKED	
Cc1ccccc1OCCSCC(=O)Nc1ccccc1S[C@H](C)CC#N	731039900	CJIHMNXIUMGKHK-QGZVFWFLSA-N	400.569	5.140	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(F)c1	732495482	BEHAYYIGZFLHJH-QARUFBMTSA-N	404.388	5.734	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)c1	733848483	XMLJRBZGLLVBHJ-MRXNPFEDSA-N	420.340	5.409	30	20	HKED	
O=C(/C=C\c1nccn1Cc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	734094698	FQZDUQWRVVCBSS-SREVYHEPSA-N	424.344	5.865	30	20	HKED	
C[C@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccccc1Cl	735320596	ZTOGQWZJQACVRX-ZDUSSCGKSA-N	409.338	5.006	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	739142264	IFXRITQWYWYIMR-UGSOOPFHSA-N	412.411	5.266	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	739595491	JIKGJSTZKFDCGC-UHFFFAOYSA-N	415.518	5.024	30	20	HKED	
Cc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[nH]c2c1C(=O)CC(C)(C)C2	739750387	SIROCESHIPZKLA-UHFFFAOYSA-N	417.534	5.008	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740665073	QOBOMSXFGVDGJY-OAHLLOKOSA-N	408.548	5.092	30	20	HKED	
Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)c3sccc3C#N)c2)cc1	741116715	UZWPVKXXYUIIHT-INIZCTEOSA-N	404.491	5.027	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744062246	HRIJKWMKKVGEOP-DOMZBBRYSA-N	401.413	5.204	30	20	HKED	
C[C@]1(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCc2ccccc2C1	744073640	FDCZMQGNNAWZNK-HJPURHCSSA-N	408.473	5.460	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Cl)c1	744074632	NQQZHQMWGLVFGC-RISCZKNCSA-N	402.853	5.722	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Br)c2)cc1	746660212	ODIDRCFUWOIFOE-NRFANRHFSA-N	420.310	5.426	30	20	HKED	
N#Cc1csc(/C=C(/Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)c1	748440193	JHAZIAKTAJHUSK-MKMNVTDBSA-N	413.886	5.461	30	20	HKED	
CC(=NNc1ccc(C(F)(F)F)nn1)c1sc(-c2ccc(Cl)cc2)nc1C	754708893	IYUIORDSIQAKOB-UHFFFAOYSA-N	411.840	5.417	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	757876747	YMXFEUWJJIQGRR-KRWDZBQOSA-N	410.260	5.017	30	20	HKED	
Cc1nc(C(F)(F)F)c(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1	759015946	FOFWYXZFCYXQIE-UHFFFAOYSA-N	421.419	5.672	30	20	HKED	
COc1ccc(COCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	760970655	WABZHJRPUFPMEY-QGZVFWFLSA-N	414.914	5.132	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2sccc2c1	761039529	ZJEFXPKIDSHRGC-LJQANCHMSA-N	412.470	5.655	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1OCC#N	761665857	ZLCFRELVADTGIS-UHFFFAOYSA-N	409.383	5.189	30	20	HKED	
COc1cc(COC(=O)c2cccc(C(C)C)n2)ccc1OCc1cccc(C#N)c1	762046586	DNVMMJIXGRZAJR-UHFFFAOYSA-N	416.477	5.021	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)c1	764827157	BLUKDMBIAHRDHE-SFHVURJKSA-N	404.432	5.137	30	20	HKED	
N#C[C@H](C(=O)CCCc1cccc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1	770856909	AHHYREXJXQFAHN-OAHLLOKOSA-N	406.404	5.653	30	20	HKED	
N#CCCCOc1cccc(/C=C/C(=O)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)c1	771098253	MUUXMEVVEIDNFX-CRWWQRIJSA-N	423.484	5.352	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)ccc1OC	772978834	HOVLQSDKLOMWEK-JTHBVZDNSA-N	420.553	5.258	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(Cl)cc2Cl)ccc1OC	772984308	DENSPKUMMHATIR-QFBILLFUSA-N	407.341	5.924	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(-c3ccncc3)c2)ccc1OC	772986224	NZMQEWSTYCPURC-MBSDFSHPSA-N	401.510	5.289	30	20	HKED	
CC(=O)N1C/C(=C\c2ccc(-c3ccccc3Cl)s2)C(=O)c2ccccc2C1	778519700	KDTGMHQYYAIQRC-SFQUDFHCSA-N	407.922	5.697	30	20	HKED	
Cc1nc(C)c2c(C)c(C=NOCc3ccc(F)cc3Br)sc2n1	780287377	NABNQLPNJCPAEK-UHFFFAOYSA-N	408.296	5.069	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	784054670	DMOCJANOZUNHDE-LJQANCHMSA-N	405.841	5.464	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccc(Cl)cc2)s1)c1cccc(N2CCOC2=O)c1	789129600	WDQPYBORUCBKEH-HJWRWDBZSA-N	410.882	5.316	30	20	HKED	
CCc1cc2oc(=O)cc(COC(=O)C[C@@H](CC#N)c3ccccc3)c2cc1Cl	795981773	DXRAENSFODPJLO-QGZVFWFLSA-N	409.869	5.140	30	20	HKED	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1csc2ccccc12	796198197	IPRSBUSWIULYIB-HNNXBMFYSA-N	407.514	5.006	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)cc1C#N	799366952	XAQKDMBMRJOCAT-UHFFFAOYSA-N	403.869	5.333	30	20	HKED	
CC(=C/c1ccccc1C(F)(F)F)/C=C/C(=O)c1ccc(S(C)(=O)=O)c(F)c1	799891342	CTCNUPHGNVEPRG-CYAIPPBNSA-N	412.404	5.090	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)OCCCC1(C#N)CCOCC1	800225417	LPRYBDBBASTMJI-UHFFFAOYSA-N	423.296	5.214	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1)c1cccc(Cl)c1	813221571	SQRGKBVOFNTFIZ-DEOSSOPVSA-N	421.928	5.332	30	20	HKED	
Cc1sc2ncn(N=Cc3c(C)c4ccccc4n3C)c(=O)c2c1-c1ccccc1	814736377	POFMPTIKGPHHJH-UHFFFAOYSA-N	412.518	5.116	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)nc1	913615369	RDZGRBJRYZBNFW-UHFFFAOYSA-N	407.109	5.298	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915087181	RHYJEGWBZFQMBJ-QHCPKHFHSA-N	409.493	5.228	30	20	HKED	
CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353703	WFVZQDIYFLUVLY-RUZDIDTESA-N	424.548	5.606	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cc(C)c1OCc1ccccn1	915992789	BGZSLJYAGGHZGH-UXBLZVDNSA-N	412.489	5.058	30	20	HKED	
COc1ccc(OC)c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1	916137662	HEHHRJDTCGNGSD-BENRWUELSA-N	421.880	5.506	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	916679929	BXFNJJOLWJKNBC-AOMKIAJQSA-N	400.438	5.133	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2nc3ccccc3s2)o1	916907153	UZCAEXQUASTKSW-GFCCVEGCSA-N	421.865	5.171	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccccc3)s2)cc1	916951517	YQWSXYIEQQYGSO-HNAYVOBHSA-N	403.507	5.285	30	20	HKED	
N#C[C@H](C(=O)CCc1ncc(-c2ccccc2)o1)c1nc2cc(Cl)ccc2s1	917044028	OQPKJQAIJRIVOL-OAHLLOKOSA-N	407.882	5.414	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN[C@H](c2ccccc2)C(C)(C)C)c1=S	917432994	SGBSUBXNQIBFQR-OAQYLSRUSA-N	422.598	5.610	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(COc3ccccc3)c2)o1	917856181	KRUDGENDICLSTQ-UHFFFAOYSA-N	424.456	5.562	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c1	918038127	HOPYCTDUKIRWSY-QFIPXVFZSA-N	405.885	5.348	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)C1	1785809211	YWYWVJZEYZFVDU-SFHVURJKSA-N	413.521	5.028	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c(C)c1	10168850	REDUVMDVZAKUKF-UHFFFAOYSA-O	417.598	6.074	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c3c(C)noc3n2)cc1	26037063	ZEBJNZXIUCAMQU-UHFFFAOYSA-N	410.477	5.560	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n1	41516378	AVEGDILLQDLVNL-KRWDZBQOSA-N	403.438	5.403	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1	41537966	WLXNLBQANQXXAN-ZDUSSCGKSA-N	418.261	5.515	30	20	HKED	
COCc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	56623374	LSKXFALSMZCQJD-UHFFFAOYSA-N	401.466	5.127	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1	56720307	LRFPIYFPELPYPZ-XMMPIXPASA-N	415.468	5.280	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)Cc1cccs1	57621012	QUPZRZOSDLCSFN-UHFFFAOYSA-N	411.596	5.694	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl	58989361	GTBOFPHIBYGVPJ-LJQANCHMSA-N	405.841	5.085	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(-c3cnco3)cc2)cc1	108732215	QWEJPOGTTUKCST-UHFFFAOYSA-N	411.436	5.195	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c(F)c2)cc1	303306254	NULZZQOOOSPISE-UHFFFAOYSA-N	414.480	5.356	30	20	HKED	
COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(C#N)cc4Cl)CC3)c2c1	426144400	UMPZTBYCGXXDGW-UHFFFAOYSA-N	406.873	5.023	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1	430633532	PZDMRDJPUPWBHK-MRXNPFEDSA-N	416.506	5.376	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	431082637	JRBTYULXOAWMEF-UHFFFAOYSA-N	420.538	5.153	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1	432704780	OSWICIUDDZWYSQ-LJQANCHMSA-N	410.905	5.023	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)Nc2cccc(C#N)c2C)c2cnn(C(C)C)c2n1	432840009	OSRFRJILMBSYOS-UHFFFAOYSA-N	409.493	5.420	30	20	HKED	
N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1	433361221	CBNBUKHSBKUEBY-IBGZPJMESA-N	405.885	5.025	30	20	HKED	
C[C@H]1C[C@H](C)CN(c2nnc(SCCCCC(C)(C)C#N)n2Cc2ccco2)C1	436207243	XAHGHHMVRBBZKP-ROUUACIJSA-N	415.607	5.214	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1	439307522	XDRGSZKGNOWWPY-JOCHJYFZSA-N	413.481	5.497	30	20	HKED	
COc1cnccc1-c1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	445639123	CQZBMFSTZXJBDS-UHFFFAOYSA-N	404.813	5.125	30	20	HKED	
C=CCOCCCC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	464026991	TUCRPRSGLNEALN-UHFFFAOYSA-N	409.505	5.653	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1	466836365	RJSSADFTQSCRSX-CYBMUJFWSA-N	403.891	5.021	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1	468230189	KOHFLCHOORIAPJ-WOJBJXKFSA-N	405.542	5.134	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)CCC[C@@]12CCCCO2	468634948	KEKAQXFMMFCICJ-GMAHTHKFSA-N	412.892	5.214	30	20	HKED	
Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc2c(Cl)cccc12	469952787	KPISKOLGLZNQQD-UHFFFAOYSA-N	421.884	5.230	30	20	HKED	
Cc1ccc(C)c2c(C)c(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)oc12	469953479	NVZIWBNIWDZHOU-UHFFFAOYSA-N	415.493	5.193	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1	471291455	FJIMNKBDMDDSFT-GUYCJALGSA-N	419.403	5.164	30	20	HKED	
COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	474478862	QEHUPKRBXGQZER-JOCHJYFZSA-N	415.493	5.072	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	475449288	UBOJVSADMAEEEN-UHFFFAOYSA-N	411.461	5.413	30	20	HKED	
CC(C)OCc1c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)oc2ccccc12	477554011	SDDSBMIHZADQQI-UHFFFAOYSA-N	415.411	5.158	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483206650	CLYDAIACBPABMI-SFHVURJKSA-N	401.853	5.178	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	483463621	SSISUMHBCDKIKS-SFHVURJKSA-N	405.910	5.755	30	20	HKED	
Cc1c([C@@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc2ccccc12	484363320	UTRLVFPUSVNDPW-NVXWUHKLSA-N	407.539	5.282	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc(Br)cc2cccnc12)c1ccccc1	487384865	BJYRQBOKQWTNEA-IBGZPJMESA-N	408.299	5.162	30	20	HKED	
COc1cc(C)cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	488382408	VFAFYNLXZOBDHI-UHFFFAOYSA-N	415.493	5.601	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)c1ccccc1	488868841	PDURMKDIKCVDRM-HSZRJFAPSA-N	405.567	5.464	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	490626630	LXHUJDNOCBDHJZ-UHFFFAOYSA-N	414.383	5.647	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)cc1OC	496558103	ZVTFVXZBUJGKQX-VWLOTQADSA-N	416.521	5.215	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cncs1	499048863	UGDBQMCCTZDSGP-SNVBAGLBSA-N	422.272	5.214	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c12	499833107	LCGIWOWZQBGIKJ-IBGZPJMESA-N	423.948	5.266	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cs2)cc1	502758736	CLTRZOZSWVRRRS-INIZCTEOSA-N	403.463	5.229	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)cc1	503974489	YXYACULVROHFEC-UHFFFAOYSA-N	405.910	5.265	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	505437738	GVGDCDWMPZRVDT-GOSISDBHSA-N	403.894	5.863	30	20	HKED	
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN2CCC(C)(C#N)CC2)cs1	506031441	LFWOJMMRYCBDEC-UHFFFAOYSA-N	423.369	5.260	30	20	HKED	
CC(C)(C(=O)NCc1ccc(COCc2ccccc2)cc1)c1cc(F)cc(C#N)c1	506443707	HMSVJBCENGUXTA-UHFFFAOYSA-N	416.496	5.008	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(Cl)cc2)cc1	513895345	CPLNLNWXJKBQJG-UHFFFAOYSA-N	407.876	5.263	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(OCC(F)(F)F)cc1	518625419	WTVNRVZCWRIRLM-AWEZNQCLSA-N	405.420	5.312	30	20	HKED	
CC(C)(C)c1cc(NCc2cccc(OCCCC#N)c2)n(Cc2ccccc2)n1	518785038	KCIAUKFQSXJKMI-UHFFFAOYSA-N	402.542	5.524	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2	519368049	ZVLVNSUVHFIWHM-APVMCDBPSA-N	415.924	5.607	30	20	HKED	
COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NC[C@H](C)C#N)cc1	521923767	JJRVFYCVMXKXSP-GMYFBSLISA-N	411.505	5.010	30	20	HKED	
C=CCn1c(S[C@H](C#N)C2CCCCC2)nnc1-c1ccc(Br)cc1	522333376	SZFMMAUHDSIJMA-QGZVFWFLSA-N	417.376	5.458	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](C)c1ccccc1OC	524382214	QUCABZKFCFUVDL-SFHVURJKSA-N	418.493	5.352	30	20	HKED	
CCSc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccn1	524386488	CSKZDQRBSQOTCT-UHFFFAOYSA-N	403.507	5.205	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccnc2)nc2scc(-c3ccccc3)c2c1=O	524402845	IZTHMEZFGIVOHL-HNNXBMFYSA-N	405.548	5.559	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(Cl)c1Cl	524572572	GWLFVZYKPXBRRQ-XEZPLFJOSA-N	413.226	5.497	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1	525004342	NORHPCLSGGUQED-GFCCVEGCSA-N	415.946	5.245	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)c2)cc1	525046728	JECFSDBTZIZDAV-FGZHOGPDSA-N	418.443	5.352	30	20	HKED	
COc1ccc(CNc2cccc(NC(=O)c3cccs3)c2)cc1OCCCC#N	532890666	QLQJXWYMLZBGGO-UHFFFAOYSA-N	421.522	5.304	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2ccccc2cc1OC(F)F	534905818	SARXJYDGPORCAY-AWEZNQCLSA-N	412.461	5.945	30	20	HKED	
C=C[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1	536307220	DPEIBJYZXDRRQT-DVECYGJZSA-N	411.505	5.028	30	20	HKED	
CC(C)COc1ccccc1[C@@H](CC(C)C)NCc1nnc(-c2ccc(C#N)cc2)o1	537178655	UWNTZYSTQLDSLI-JOCHJYFZSA-N	418.541	5.520	30	20	HKED	
C=CCC[C@H](NCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1	540458517	OUIBRMFZTGPBPM-QHCPKHFHSA-N	419.594	6.242	30	20	HKED	
COc1ccccc1SCC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541071451	YGKZBKBJLLCXPV-QGZVFWFLSA-N	402.519	5.203	30	20	HKED	
CCCCn1ncc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	541099947	BERBLIWRLOBOHK-QGZVFWFLSA-N	401.514	5.413	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541155978	HEUVDEAYMHEIOB-MOPGFXCFSA-N	413.521	5.697	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(CSC3CCOCC3)c2)C2CC2)cc1	541445378	PBTIUHRFOFDTKH-UHFFFAOYSA-N	421.566	5.167	30	20	HKED	
N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)CC1	542913705	JKKWXWXCJILTTP-ZPHPHTNESA-N	411.505	5.471	30	20	HKED	
Cc1ccccc1C1(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCOCC1	543917334	CWDFNZBXSANIRX-NRFANRHFSA-N	424.544	5.459	30	20	HKED	
C[C@@H]1N(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCC12CCOCC2	544466714	HJKDKRXTALBIQM-INIZCTEOSA-N	410.901	5.035	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	546790916	ADTSEDXOAIEAGT-KRWDZBQOSA-N	424.566	5.717	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)c1	552245564	DXDWJFFWVFUAMR-UHFFFAOYSA-N	408.310	5.102	30	20	HKED	
CC1(C(=O)Nc2cccc(N3CCCC3)c2)CCN(c2ccc(Cl)cc2C#N)CC1	552844994	CFCZVMZVFWCOHA-UHFFFAOYSA-N	422.960	5.057	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Cn1ncc2ccccc21	560018874	FXVGHWZESCSKSW-IBGZPJMESA-N	424.504	5.070	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3ccccc3CC2)cc1F	562492504	UHESVSAIYBHBCC-UHFFFAOYSA-N	401.441	5.122	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)cc1	565664154	ATKYOJXQGRINLB-UHFFFAOYSA-N	422.916	5.137	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1OC(F)F	573023831	DLDRMJUDFVCMCH-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCCC)CC1	573047385	JAKCRXZWQSOGIO-GOSISDBHSA-N	421.010	5.195	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)N(CCC#N)c3ccc(F)cc3)coc12	573384538	VQXVDNFGFRIMMC-UHFFFAOYSA-N	401.235	5.203	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](OCCC)CC1	576987283	MKHFXQLMDFKQMZ-IEBWSBKVSA-N	418.969	5.043	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1	590106662	ILFZZLYDIJORGW-JOCHJYFZSA-N	411.465	5.302	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1Cc2ccccc2-c2ccccc2C1	601187942	WMEPPJDZWRUCRL-UHFFFAOYSA-N	415.496	5.696	30	20	HKED	
N#Cc1c(NC(=O)c2ccccc2Br)sc2c1-c1ccccc1CC2	603992530	YYZHMMPLKBQMJB-UHFFFAOYSA-N	409.308	5.400	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCc4sccc4C3)cc2Cl)c1	609080620	QAKSQHDEEFJRFP-UHFFFAOYSA-N	423.925	5.442	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1Cl	609164757	UZWZGNIDJOGOCY-QGZVFWFLSA-N	403.825	5.496	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(Sc2ccccc2)c1	609375185	JCLQBKUFVURJGN-UHFFFAOYSA-N	404.539	5.136	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1	609694658	WLIALFZUINFAPY-GOSISDBHSA-N	402.469	5.603	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)N2CCCCC[C@@H]2c2ccco2)CC1	609934956	JIHQTPDASFQXAE-XVAXZDLZSA-N	407.514	5.168	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c(Cl)c1	611477386	FGIFANLHDHKETR-UHFFFAOYSA-N	422.724	5.818	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)c1ccccc1SCc1ccco1	612580584	GYQIRUNCIUFGRO-UHFFFAOYSA-N	408.548	5.107	30	20	HKED	
C[C@@H](NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1	613791650	XNRWSAAXKAMAQS-KUHUBIRLSA-N	419.472	5.138	30	20	HKED	
C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	614179202	KPIWYBFNDQPLOU-GOSISDBHSA-N	415.512	5.730	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCc3cc(Br)c(Cl)cc32)cc1	619445503	VDOREROZKSJGND-UHFFFAOYSA-N	403.707	5.107	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccc(C#N)c(Cl)c3)cc2)cc1	669891606	ZHPFXVDYOFZPKZ-UHFFFAOYSA-N	404.853	5.137	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1nc2cc(F)ccc2s1	681719511	LIQRWWHOIGGPAN-SECBINFHSA-N	402.863	5.030	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(O)ccc1C(F)(F)F	684387399	JPCNBRAHDJHOTJ-HTQZYQBOSA-N	423.275	5.050	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccccn2)c2ccc(Br)cc2)c1	726472965	FCHJQWZGSHHLLM-UHFFFAOYSA-N	422.351	5.229	30	20	HKED	
Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc(COc2ccccc2C#N)o1	726813417	PAUJVGGJHMTURM-UHFFFAOYSA-N	420.446	5.112	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	727233993	XEHPAMFGETUGPS-JQWIXIFHSA-N	424.831	5.612	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C/c3ccc4ccccc4n3)cc2)c1	728005421	KAUZANOSUMHSST-NTCAYCPXSA-N	405.457	5.337	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)c(Cl)nc3Cl)cc2)cc1	728818250	FMYHAMNWICHVMQ-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cc1	730949037	PWHPZBZOTCXDBP-FPYGCLRLSA-N	405.381	5.073	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC)[C@H](CC)c2ccccc2)ccc1OC	733656789	PJAGZFUHRHDRSL-LEWJYISDSA-N	409.530	5.059	30	20	HKED	
CN(Cc1c(F)cccc1Cl)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740061011	ZMMGCZWIJZAUDU-UHFFFAOYSA-N	413.905	5.421	30	20	HKED	
COc1ccccc1-c1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1	741468370	VSYZJRMHBVECST-OVCLIPMQSA-N	413.517	5.219	30	20	HKED	
COc1ccccc1[C@@H](NC(=S)Nc1ccccc1C#N)c1ccccc1Cl	741482131	HENGQAUQDIHNJE-NRFANRHFSA-N	407.926	5.296	30	20	HKED	
COc1ccc2c(CNc3ccc(Oc4ccccc4C#N)c(F)c3)cc(=O)oc2c1	742464344	NFTDYEJRHCEWSV-UHFFFAOYSA-N	416.408	5.217	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1	743044700	PAPMVZQHVBCUOM-GFCCVEGCSA-N	419.865	5.290	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744074720	OTTDWQSNNOTJMU-JTQLQIEISA-N	420.872	5.089	30	20	HKED	
C[C@H](C#N)CN(C)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccco2)c1=S	746705312	ATBKRSCMTPTTOX-QGZVFWFLSA-N	423.586	5.069	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccccc2C)C2CC2)c1=S	746709351	NYNRRFZURMXXGV-UHFFFAOYSA-N	420.582	5.206	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc(F)c1)C(=O)c1ccccc1	747151026	WBOYVNIMZVDPTC-QJOMJCCJSA-N	401.481	5.856	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC)c(Cl)c2)ccc1OC	747574911	IIYXMWJVARCSAU-OAHLLOKOSA-N	419.934	5.073	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NCc3cccc(OCCCC#N)c3)cccc21	754047580	UNJCHHWQAYBYCM-UHFFFAOYSA-N	407.514	5.279	30	20	HKED	
CCCCSc1ccc(Cl)cc1C(=O)N[C@H](C#N)c1cccc(OC)c1OC	754411859	ZSWMVHJCGAVLMB-QGZVFWFLSA-N	418.946	5.244	30	20	HKED	
CCOc1ccc(C=NO[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1	760415690	AWJLSISTFRRFFH-GFCCVEGCSA-N	406.269	5.554	30	20	HKED	
Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	767762042	IXRQVJQBBCLHOV-FPOVZHCZSA-N	422.598	5.522	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccccc1C	768411725	MTFJECSRYHIYBN-UHFFFAOYSA-N	403.507	5.147	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)c1	768763512	OUDKILOPEPHUJB-HSZRJFAPSA-N	405.457	5.171	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc2c1ccn2CC(C)C	774041909	CKJXWMYEDIWJBZ-JOCHJYFZSA-N	415.537	5.383	30	20	HKED	
CCCCCCCC[C@H](C)CC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1	774822280	CSEYIHXMEDJRDY-VXKWHMMOSA-N	404.639	5.404	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Br	780676125	JKNFQFJMEWCKIU-KSSFIOAISA-N	414.303	5.109	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1	780684303	NLWKUAVPIOYIQW-CYBMUJFWSA-N	404.297	5.481	30	20	HKED	
N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1	780915777	XIKUSVAJMSBBLU-HXUWFJFHSA-N	412.367	5.041	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)c3ccc(C#N)cc3F)cc2)c(F)c1	781111559	PPLFTEJINLKSLF-OXAWKVHCSA-N	424.406	5.500	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)c1	782261625	QTJIZIHFFRIMRW-UHFFFAOYSA-N	403.504	5.006	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1	790081542	BWECCHSJTQNPDE-UHFFFAOYSA-N	403.869	5.035	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nccc2ccccc12)c1csc(-c2cccs2)n1	800410445	XSZLTIUZXJQLIQ-INIZCTEOSA-N	403.532	5.574	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1F	808399522	OFIMVQIEDGOYFX-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
FC(F)(F)c1cc(C2=NNC(=Nc3ccc(Cl)c(Cl)c3)SC2)ccn1	809144131	DVKVMOWJPHFUNY-UHFFFAOYSA-N	405.232	5.135	30	20	HKED	
CC(/C=C\C(=O)c1cc(Br)ncc1F)=C\c1ccccc1OC(F)F	811694037	PECDXXDAONWHIS-BQGCWICQSA-N	412.205	5.427	30	20	HKED	
N#Cc1ccc(NC(=S)N(CC2CC2)c2cccc(C(F)(F)F)c2)cc1Cl	811712646	DHKZXLDJRRTUOS-UHFFFAOYSA-N	409.864	5.844	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1	811869311	KCLVCSAITQDSQX-AWEZNQCLSA-N	406.939	5.126	30	20	HKED	
N#CCN(C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)c1ccccc1	812947694	VNQDCAPJRNYMSZ-UHFFFAOYSA-N	420.497	5.682	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc([C@@H](C#N)CCc3ccccc3)n2)c1	904634308	KDMWIMVQZDZFPV-GOSISDBHSA-N	404.470	5.324	30	20	HKED	
FC(F)(F)C(F)(c1ccc(-c2nc(Cc3ccncc3)no2)cc1)C(F)(F)F	904934213	PYJKDBLRLBOHPH-UHFFFAOYSA-N	405.273	5.012	30	20	HKED	
COc1ccc(N(C(C)=O)c2nc(C=NNc3cccc(Cl)c3C)cs2)cc1	915050931	GVDKRZCQDOASHF-UHFFFAOYSA-N	414.918	5.244	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)NCc1ccccc1	916885839	BTMDMHQWRUQVDW-LEVJEWGPSA-N	420.921	5.107	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)cc1	916912834	MDWWMXFXICBENH-JNSUZQQQSA-N	418.493	5.477	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]2c2cccc(F)c2)c1=S	917486353	NCRNRMQLHGJNBQ-OAQYLSRUSA-N	408.546	5.125	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CCC1	1785943359	QLYPWTREUMIQKC-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3CC)cc2)CCC1	1787094840	CKNXRFAZHOPMFJ-OAQYLSRUSA-N	417.553	5.160	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccccc3)CCC2)cc1)C(F)(F)F	1791305909	YLAFRSXTEFXOPL-OAHLLOKOSA-N	416.443	5.043	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	17342029	YVJBDBGVNSMFNU-UHFFFAOYSA-N	408.533	5.428	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(C)c2)c1	22729648	BZELQAXTDSHAPU-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1	23134058	PBEYVYPPRQCSLN-UHFFFAOYSA-N	423.925	5.707	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1	25440199	DNWHZMJJASODCE-UHFFFAOYSA-N	416.378	5.084	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)cc(Br)c1)c1nc(-c2ccccc2)cs1	51534079	IQZRUKOTRMLIHZ-OAHLLOKOSA-N	401.260	5.202	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)c1	55771787	KPBQRBGKBNOKSG-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Cl)c(OCC)c(OC)c1	60451166	KMPMYECYDGVFKD-UHFFFAOYSA-N	400.327	5.291	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	61429522	UQWBPMUDUQMYCC-UHFFFAOYSA-N	414.461	5.269	30	20	HKED	
CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	61774652	WYKVGOWLEBFJQR-NRFANRHFSA-N	404.514	5.243	30	20	HKED	
COCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	65046622	UJGRYIHQPBNTAH-LLVKDONJSA-N	424.334	5.210	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1	104887818	HAGYGZUTHNHZJK-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1	105723684	NUTXBKIYWZTUGS-UHFFFAOYSA-N	413.477	5.081	30	20	HKED	
C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1	237609492	YTJBRZMSTPSOEW-SFHVURJKSA-N	423.476	5.170	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3F)n2)nc2ccccc2c1=O	303155389	GTOBBCUJCBGGKV-UHFFFAOYSA-N	409.511	5.137	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	303361293	ZSEJXYBZFHKKSW-QGZVFWFLSA-N	404.539	5.365	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1cc2ccccc2o1	303373517	KPRMYIWWGMXEBG-QZTJIDSGSA-N	421.566	5.849	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1	303427529	ZYRDYPFGKPTRNJ-OAHLLOKOSA-N	421.488	5.028	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	303506502	NFJXFLPJSUHDOF-SFHVURJKSA-N	417.534	5.427	30	20	HKED	
CCOCCOc1c(Cl)cccc1NC(=O)c1sc2ccc(C#N)cc2c1C	429814643	WEDFLPMFPXFLMN-UHFFFAOYSA-N	414.914	5.402	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c2)o1	432969410	CILGJXNKZWPAMW-HSZRJFAPSA-N	401.466	5.041	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)cc1	433275100	XKLPQHICSXZXID-AREMUKBSSA-N	417.553	5.005	30	20	HKED	
C[C@H](SCCCCC(C)(C)C#N)c1nc(O)c2c(-c3ccco3)csc2n1	435885204	GWHNDSABVCHFBL-ZDUSSCGKSA-N	401.557	6.171	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1F	435984770	PVZMKVZCCSFAKP-ZDUSSCGKSA-N	408.951	5.603	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(COCc2ccco2)c1	437767841	AFBGAQUFBGVCIQ-RPWUZVMVSA-N	415.493	5.300	30	20	HKED	
COC1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1	438544027	CXHONLGWLQWYQG-UHFFFAOYSA-N	419.403	5.012	30	20	HKED	
C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438670078	USWZHFMIKWUKPU-OAHLLOKOSA-N	405.429	5.420	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1	438683004	GDUZNUVHHVCOEO-UHFFFAOYSA-N	403.404	5.547	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)c1ccc(C(F)(F)F)cc1	441541277	CZXIRLAMUPJONM-LJQANCHMSA-N	424.850	5.755	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)NCC1CCC(C#N)CC1	441792214	SEHGPVYRGDCLJF-UHFFFAOYSA-N	422.529	5.862	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)NCc1nc(COC)sc1-c1ccccc1	442587112	RBPBJVILDIFRJJ-UHFFFAOYSA-N	413.587	5.234	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1cccc(C#N)c1	442915362	ZEPGGETWMWCQRH-OAHLLOKOSA-N	410.930	5.421	30	20	HKED	
N#CCCCn1cc(C(=O)NCCc2nc3cc(Cl)ccc3s2)c2ccccc21	443902524	BKYZKGARJHZAEW-UHFFFAOYSA-N	422.941	5.181	30	20	HKED	
COc1cc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC	447237416	ISOCWDQJGDFGPO-MRXNPFEDSA-N	412.898	5.279	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)c1ccc(F)c(F)c1	460168710	RQHLMJCUBFSANJ-INIZCTEOSA-N	406.432	5.466	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1	460336627	CUUWZCBTDQFQLB-QGZVFWFLSA-N	415.880	5.084	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	460689661	MKISMJHJMXTTRW-UHFFFAOYSA-N	423.925	6.072	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCCCn1c(C)nc2ccccc21	460858200	APSQGLITCGKLLS-UHFFFAOYSA-N	418.928	5.364	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2)cc1	466298180	KJUIMTYDINJWRQ-UHFFFAOYSA-N	409.411	5.133	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ncccc1OCCCC#N	466592762	IXUDBERUVUOKCJ-INIZCTEOSA-N	421.526	5.079	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(F)c(Cl)c1	468635675	RVPKLSILWIZMMS-CYBMUJFWSA-N	408.951	5.745	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3c(C(C)C)cccc3C(C)C)C2)n1	471281882	GHYJADCJWRJGHR-FQEVSTJZSA-N	404.558	5.364	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c(C(F)(F)F)o1	471728896	WAGWZBBMTHEJBD-UHFFFAOYSA-N	401.234	5.062	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1	474444322	HJGPSZRKVYIXIT-HNNXBMFYSA-N	407.333	5.306	30	20	HKED	
C=C(C)Cn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1ccncc1	481344907	USQQGFBINCECQJ-UHFFFAOYSA-N	407.474	5.003	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	481357064	DDUKIDSIBLHCLX-UHFFFAOYSA-N	406.530	5.294	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(C)cc1	481368501	GKGVDDZXIGSOGN-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
C=C(C)[C@@H](NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	483293027	CCGQVVHANZPAEB-CQSZACIVSA-N	419.419	5.292	30	20	HKED	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	485974319	CTAVIKLBLACCHC-ICSRJNTNSA-N	415.537	5.198	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1	489896335	JCKNMQYLQDOTKP-QGZVFWFLSA-N	418.566	5.809	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C	490794964	GXZGAXNIMFPNSL-UHFFFAOYSA-N	418.497	5.495	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	501445496	FBGISXPFMOIHDV-UHFFFAOYSA-N	411.288	5.891	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1	503135801	DEUVOJDYVKHAJD-LBPRGKRZSA-N	415.490	5.735	30	20	HKED	
C=CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)cc(OC)c1OC	503323853	NAWNGDGVHFMBTJ-PKTZIBPZSA-N	401.506	5.005	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc2cc(Cl)ccc2s1	503419906	IBLQJMCYUDAISQ-MRXNPFEDSA-N	405.866	5.627	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(Br)s1	505938608	OGNMTOUGMXINPT-CABZTGNLSA-N	417.250	5.014	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21	506383244	ALBUJZAXJYOWJS-JXFKEZNVSA-N	423.586	5.592	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	511976960	KVAUBJOCMREDRW-LRDDRELGSA-N	414.365	5.407	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	512443950	IZNNMENGBMNJPX-ZDUSSCGKSA-N	422.312	5.268	30	20	HKED	
CCCc1c(NC(=O)c2ccc(Cl)c3ncccc23)cnn1-c1cccc(C#N)c1	512709324	WXULZVATGBYUDK-UHFFFAOYSA-N	415.884	5.150	30	20	HKED	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc(C)cs2)cc1	513676309	CGBSMWXVMYJRHD-HXUWFJFHSA-N	412.518	5.357	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccco3)CC(F)(F)F)cc2)cc1	517653614	XZGPSKHVKSTRLS-UHFFFAOYSA-N	414.383	5.343	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OC2CCCCC2)cc1	518164933	JCKXCVOGRUUNCS-SFHVURJKSA-N	423.582	5.972	30	20	HKED	
COc1ccc2ccc(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2c1	520826489	XHTQRHMJIHMEKO-MRXNPFEDSA-N	406.507	5.260	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	524336327	OHHRTANCSBQRLG-HTAPYJJXSA-N	420.896	5.067	30	20	HKED	
CCN(CCc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	524437912	GAAOFDVZNZXIDJ-UHFFFAOYSA-N	413.521	5.542	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc3nc(-c4cccc(Cl)c4)sc3c2)CC1	527057244	ZTJOFXGFDXNGTM-UHFFFAOYSA-N	410.930	5.774	30	20	HKED	
C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	534193029	QYRSHCDJOWCCJY-SFHVURJKSA-N	400.478	5.002	30	20	HKED	
C[C@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(C#N)cc1	537292331	HQHPZKGQPOBJQP-KBPBESRZSA-N	412.356	5.856	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cc(Br)ccc3Br)cc2)CC1	538539794	ZCBCENHLHSFQSG-UHFFFAOYSA-N	420.104	5.019	30	20	HKED	
C[C@H]1SCCN(Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1c1ccccc1	538719588	ULLZZMFSASRVAF-NTKDMRAZSA-N	402.567	5.142	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1	539338654	YYIQYPLBEMULGD-GOTSBHOMSA-N	402.881	5.139	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2ccc(C3(C#N)CC3)cc2)cc1	540722589	KAXFTYPJOQCZNE-RUZDIDTESA-N	409.533	5.451	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1	543645662	HGTMOXRGJWPJOO-AHWVRZQESA-N	416.496	5.286	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](CCCC#N)c1ccccc1	550832318	FNKYDFSNWXEUMU-OXJNMPFZSA-N	403.448	5.447	30	20	HKED	
Cc1cc(Br)c(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1Cl	552153742	DSQBHTUZAWTYPI-UHFFFAOYSA-N	407.670	5.092	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccccc1SCCC#N	553329342	CIBQCAWWZXGXFL-UHFFFAOYSA-N	419.984	6.092	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc(N(C)C)c1	559682173	RHLBZGOPXWHVHO-ZDUSSCGKSA-N	418.360	5.162	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC(c2noc3cc(F)ccc23)CC1	562236914	NDKBANWTQXLZCW-UHFFFAOYSA-N	408.383	5.049	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	567542616	OLXIHSHMCJXGCV-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(Cc2ccc(F)cc2)n1	588786649	OHPYKDGSTLPBBI-UHFFFAOYSA-N	406.935	5.416	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1ccco1)c1nc2cc(F)ccc2s1	592973728	JNJSTHWTGZHPTM-MRXNPFEDSA-N	408.479	5.811	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	603960343	KRRWDKVRFAPPGU-UHFFFAOYSA-N	420.465	5.170	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)n1CC(F)(F)F	604458711	ZWZSGAYOTCLBBX-UHFFFAOYSA-N	413.399	5.584	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1	609079387	AVGKRSCESSBGCH-KRWDZBQOSA-N	403.457	5.468	30	20	HKED	
CC(C)(C)c1csc(CCNCc2cccc(OCc3cccc(C#N)c3)c2)n1	609223762	WCOYQAUDYRMJLO-UHFFFAOYSA-N	405.567	5.224	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1	609387367	ZCDLUCBVEBPKFV-HZPDHXFCSA-N	422.579	5.501	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1Br	609593606	ZAWHHUJRARICQT-KEYYUXOJSA-N	424.125	5.240	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1	609723537	BCONNTBJFOBDSI-UHFFFAOYSA-N	415.836	5.911	30	20	HKED	
C[C@H](CC(=O)NCCSCc1ccccc1C#N)c1cccc(C(F)(F)F)c1	609972390	ATAVTCOXWBTEFB-OAHLLOKOSA-N	406.473	5.120	30	20	HKED	
CN(C)Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	610166534	YGKZLMINLKFVKT-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1	610361958	JOECTEKCCFUDAA-SFHVURJKSA-N	423.516	5.525	30	20	HKED	
CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OCC	612894653	DLINHMOJZAFKLL-GOSISDBHSA-N	406.507	5.406	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1	618752014	ZLFMNXOVKLVQJO-QFIPXVFZSA-N	424.460	5.040	30	20	HKED	
C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@](C)(C#N)C1	619830129	OJPSDJDGXHHEIT-HSZRJFAPSA-N	418.570	5.083	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCCc3cccs3)n2)cc1	731547269	LBFBWKKPJJRPBA-IBGZPJMESA-N	410.564	5.860	30	20	HKED	
O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCC(O)CC2)cc1	734235732	VFDJNZZZJMBMQG-WAPJZHGLSA-N	409.835	5.216	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1)c1ccncc1	734666595	FFRRNGFNRGTTDS-WOJBJXKFSA-N	405.464	5.804	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	735000237	FHLHMCMVVZNJHE-UHFFFAOYSA-N	421.840	5.435	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(OCc4cccnc4)cc3)c2)cc1	737836329	DSSFCDQSMUJAKY-UHFFFAOYSA-N	420.472	5.528	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(-c2ccccc2OC)cc1	741843009	WUBHMKDJRFFHDQ-QINSGFPZSA-N	406.453	5.423	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2cccc(C)c2C)c1=S	742152229	IYMDDZGIYNCMHL-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1	749141689	IJNLJTBDCPDOED-HNNXBMFYSA-N	416.568	5.110	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C1	753922460	ZPHJFMTXLSTTEV-UXUKBGGZSA-N	410.461	5.475	30	20	HKED	
CC(C)(C)n1cc(C=NNc2nc(O)c3ccccc3n2)c(-c2ccccc2Cl)n1	757584584	ZKQNPVHKUAIWFZ-UHFFFAOYSA-N	420.904	5.053	30	20	HKED	
C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1	758916567	WQSQVSQHKSOEMK-QGZVFWFLSA-N	424.497	5.370	30	20	HKED	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1	759232561	STXSMGRKCJQSAV-QRWLVFNGSA-N	422.525	5.017	30	20	HKED	
Fc1ccc2nc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)sc2c1	761767265	OZDQIFTZIYKMLX-UHFFFAOYSA-N	424.313	5.172	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1(c2cccc(Cl)c2)CC1	764751722	DLODSBGZDXHWEW-UHFFFAOYSA-N	410.688	5.086	30	20	HKED	
N#C[C@H](C(=O)CC1(CSc2ccccc2)CC1)c1nc2ccccc2n1C(F)F	770843036	XEFWUQXDVGIBMK-MRXNPFEDSA-N	411.477	5.570	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)OC[C@H](C#N)Cc1cccs1	772737775	XATVBNOAQMPDLN-INIZCTEOSA-N	412.536	5.185	30	20	HKED	
COc1cc(CNC2(c3ccccc3F)CC2)ccc1OCc1cccc(C#N)c1	775453076	BULWOBFLGBJUCF-UHFFFAOYSA-N	402.469	5.064	30	20	HKED	
N#C[C@@H](OC(=O)c1csc(-c2ccc(Br)s2)n1)C1CCCCC1	776387945	VVIULJDLVSBKSD-GFCCVEGCSA-N	411.346	5.263	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(Cl)c2Br)cc1Cl	790351129	UZBYGNHGUUYTFV-UHFFFAOYSA-N	401.116	5.436	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1cnc2ccccc2n1	792101619	SQOXUZBALXYFRS-YADARESESA-N	413.864	5.280	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	800386341	JKSQBMYAQKLUMZ-SFHVURJKSA-N	406.463	5.144	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	802045710	VRTDKEWJYCJULD-OXJNMPFZSA-N	402.519	5.629	30	20	HKED	
CCCCCCC[C@H](C)CNC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1	806499736	SUFAKOAQVVZQPI-ICSRJNTNSA-N	420.598	5.197	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(Cl)c2OCC(F)F)cc1Cl	806604062	HAHSXALPKIGCCL-UHFFFAOYSA-N	402.253	5.318	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(C#N)cc2C(F)(F)F)S1	811626655	LYXUQMAOLDAAKF-SXGWCWSVSA-N	401.413	5.086	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2nccc3ccccc23)cs1	811699507	SQNKMXDWPTUXFG-FLIBITNWSA-N	417.465	5.411	30	20	HKED	
COc1ccc(C(C)=O)cc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	915102295	VRIDIMAEUPCQRF-GOSISDBHSA-N	424.909	5.094	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)OC)o1	916135850	XJMQDSHKOHVWMY-WCIBSUBMSA-N	424.424	5.079	30	20	HKED	
Cc1c([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2ccccc12	916678908	FGCOXCIMQTXKTN-JPYJTQIMSA-N	409.489	6.279	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1ccc2ccccc2n1	916848978	LVUGNAITFQASDX-MRXNPFEDSA-N	411.324	5.274	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(Oc2ccccc2)c1	916936329	HQIGNIDOOKSOCG-GOSISDBHSA-N	408.816	5.233	30	20	HKED	
COc1cccc2c1OC/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	920067056	QNALPTCYPKFWRC-FOWTUZBSSA-N	419.864	5.260	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)C(C)C	1793204645	CLVNMQJXCFOLNV-BJESRGMDSA-N	410.602	5.057	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccoc1C	6911720	UKWLMYTUCYTZFK-MRXNPFEDSA-N	418.522	5.305	30	20	HKED	
CC(=O)c1sc(/N=C(\O)c2sc(-c3ccccn3)nc2C)nc1-c1ccccc1	19202229	YVULTTJCSISCOX-UHFFFAOYSA-N	420.519	5.476	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc(-c3cccs3)nc21	33179880	ATPROCRKGODIPU-OAHLLOKOSA-N	415.522	5.103	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccccc1Cc1ccccc1	56199480	HBLSIEBSHPFLMZ-FQEVSTJZSA-N	413.521	5.399	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1	62387665	PMXSISXZMDBFLN-SFTDATJTSA-N	419.569	5.067	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	64456893	TZDDADWKDQGSTC-UHFFFAOYSA-N	419.462	5.187	30	20	HKED	
COc1ccc(CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)cc1OCCCC#N	147114803	HMTHQKLDDOBZEU-ZDUSSCGKSA-N	411.304	5.674	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3cccc(OCC(F)F)c3)c2)c1	237787346	MAMJRRXZZZZZFX-UHFFFAOYSA-N	408.448	5.071	30	20	HKED	
C[C@@H](c1ccccc1)n1c(Sc2snc(Cl)c2C#N)nnc1-c1ccccc1	301929078	LNEVVHWYRCFWFJ-ZDUSSCGKSA-N	423.954	5.687	30	20	HKED	
C=CCc1ccc(OCC(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)c(OC)c1	303036175	VCXCAPWMMOVJKG-MRXNPFEDSA-N	422.550	5.112	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)o1	303364379	ICSSGANMNGQBQG-JTDSTZFVSA-N	409.555	5.851	30	20	HKED	
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	303377582	LRZBLEDSHYPZQV-IAGOWNOFSA-N	424.570	5.245	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(Oc4ccncc4)c3)c2)cc1	303608248	KZCKGCNPDITIHY-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@H](CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	303679357	LXBNJKDPGLZTQN-SNVBAGLBSA-N	421.303	5.542	30	20	HKED	
COc1ccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1C#N	303956126	XKCBDSFYNQKEJD-LGMDPLHJSA-N	408.486	5.642	30	20	HKED	
Cc1nc(NC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)sc1SCC#N	409817884	IIMNKWDRAYVFGJ-SECBINFHSA-N	400.356	5.191	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1F	429858994	KWILLUJMQCXEMX-UHFFFAOYSA-N	408.454	5.495	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(CC#N)cc1	430103048	BAVJBAWMWAMQFT-UHFFFAOYSA-N	414.292	5.919	30	20	HKED	
Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c2)cs1	430580945	GRDDSXMZKSLUKW-QGZVFWFLSA-N	411.552	5.275	30	20	HKED	
C=CCC(C)(C)CNC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	432726402	RRTZBIQMIVVKIV-UHFFFAOYSA-N	409.408	5.275	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1N1CCCCCC1	437687118	PCAUXIUEDXBYPY-FYYLOGMGSA-N	402.542	5.371	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12	437889355	KNWRQGWAOZYUTC-IEBWSBKVSA-N	422.435	5.140	30	20	HKED	
CCCCOC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	437902123	YBDNNCIIAZKMHO-UHFFFAOYSA-N	421.541	5.145	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)s1	438074019	MFOWDIYKYDHHTP-KRWDZBQOSA-N	404.539	5.034	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(COC2CCCC2)cc1	438304052	UBXPBUQPFFWCAG-DNQXCXABSA-N	403.526	5.449	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc2nc(C(C)C)sc2c1	439578031	ZGFUPFMZZPRZFS-INIZCTEOSA-N	422.554	5.176	30	20	HKED	
CC(C)c1ncc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1	442641194	AEEDNBMJEWNNEN-SFHVURJKSA-N	413.525	5.041	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21	443908447	OTXRJSFFDNAHSX-PGRDOPGGSA-N	423.582	5.232	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1cn(CCCC#N)c2ccccc12	444354741	YQAYHEHMMIFSMT-QFIPXVFZSA-N	403.530	5.043	30	20	HKED	
C=C[C@H](CC(=O)N1CCC(Nc2cccc(Br)c2)CC1)c1ccccc1	447697738	YXDPOPUCJJONBA-QGZVFWFLSA-N	413.359	5.212	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cc2)cc1	463523105	YAUYBNSRNFENJD-UHFFFAOYSA-N	411.461	5.135	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1	464367736	SZJZPUYDPUJFOC-HXUWFJFHSA-N	414.553	5.233	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1C	464462623	ATEDZSJZEYAFNI-JTQLQIEISA-N	403.223	5.031	30	20	HKED	
COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	466116194	JRONMVCMLOOKOC-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
CCC(CC)(CCO)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	467618423	RSYQBFIGLZFUJP-UHFFFAOYSA-N	415.921	5.314	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCC(=O)Nc1ccccc1C#N	469125976	VSOZXKDLHJXEDT-QGZVFWFLSA-N	404.539	5.012	30	20	HKED	
CC[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[C@H]1c1ccccc1	470019743	HWKFYXUJEIGDKF-WMZHIEFXSA-N	414.505	5.386	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1cnc2ccccc2c1	470808304	NUPPWGOUNMSWNC-KRWDZBQOSA-N	424.460	5.008	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccn2)cc1	471275848	DIRBBQHSVZWLBB-FDDCHVKYSA-N	416.550	5.695	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)o1	472717221	ZTSLBCFKGGQFDP-OAQYLSRUSA-N	405.454	5.070	30	20	HKED	
CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	473581964	HBWCWQUNMMPGSF-UHFFFAOYSA-N	421.444	5.230	30	20	HKED	
COc1ccc(CC[C@@H]2CCCCN2C(=O)C[C@@H](CC#N)c2ccccc2)cc1OC	475538201	QSFGXZXUZUKFGN-PKTZIBPZSA-N	420.553	5.105	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1	475562683	ORXDQTYPKRSSQI-RCZVLFRGSA-N	406.570	6.136	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(N(C)C)nc2ccccc12	475565908	XTNQNOICFDLASW-UHFFFAOYSA-N	402.542	5.474	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	475948281	RKZHKNVRDJOHRX-SFHVURJKSA-N	416.481	5.116	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1	476068806	YLZMVDJXABTFAP-KCWXNJEJSA-N	402.519	5.020	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2occc2COc2cccc(C#N)c2)c1C1CC1	477561860	IAVJPVUPUHMCER-OAHLLOKOSA-N	404.470	5.027	30	20	HKED	
COc1ccc(Cl)c(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	479561961	ZYOXNOMCMINEGP-AWEZNQCLSA-N	420.987	5.615	30	20	HKED	
C=CCC1(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)CCC1	479811270	WSQBFMUAQCENNV-MRXNPFEDSA-N	414.937	5.038	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1Cc2ccccc2C2(CC2)C1	480825225	QYQOFTNYRLSDEP-UHFFFAOYSA-N	409.489	5.738	30	20	HKED	
C[C@H](CC#N)NC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1	480983778	RREUUDCKONJQPT-LLVKDONJSA-N	415.316	5.149	30	20	HKED	
C=C(C)[C@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccc(F)c(F)c1	481575438	IETZPKJEJAZIDK-KRWDZBQOSA-N	418.793	5.483	30	20	HKED	
C=C(C)[C@H](NCc1ncc(-c2ccccc2Br)o1)c1ccc(F)c(F)c1	481614310	YPSNSRBJZZTUHV-FQEVSTJZSA-N	419.269	5.789	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(NC(=O)c2ccc(F)cc2)c1	481917503	HRVNJYRTSANNHC-RUZDIDTESA-N	413.496	5.507	30	20	HKED	
C=C(C)[C@H](NC(=O)N(CCc1ccccc1)Cc1cccnc1)c1ccc(F)c(F)c1	483294097	VUITVQHRGIWZCT-DEOSSOPVSA-N	421.491	5.432	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1	487349326	BBVYESOEEOORCZ-NRFANRHFSA-N	411.933	5.490	30	20	HKED	
CCCc1nc(C)c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	488028177	LTJITQBVRDFJPF-UHFFFAOYSA-N	407.514	5.257	30	20	HKED	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	488162515	CZGKMBPEVXCJFT-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1	488694927	ZBAGAROCWPWFFE-VDKIKQQVSA-N	410.542	5.166	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)s2)o1	488849215	DEXYNFGLHAXPLL-UHFFFAOYSA-N	423.972	5.460	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1	499377427	LCCLRESRQMJTIN-PMACEKPBSA-N	421.294	5.251	30	20	HKED	
COc1ccc(OCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	500735970	AZNFXKAQHVQPMC-UHFFFAOYSA-N	416.477	5.465	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1	501450075	LIEKCVFFOXSZTD-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C#N)cc1	504389323	SBKTVIHWAIGMGV-QGZVFWFLSA-N	408.954	5.476	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(C#N)cc1	505364773	VLVSNXSYZOFJSN-MRXNPFEDSA-N	412.518	5.641	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	507889070	CTYWCVOYJJEBDI-OAHLLOKOSA-N	419.462	5.378	30	20	HKED	
CC1(C#N)CCN(C(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)CC1	509413942	DWVLJJGLZRVIFZ-IBGZPJMESA-N	403.309	5.266	30	20	HKED	
CC(C)OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	512495300	XFCQEYRSEHIVFZ-HXUWFJFHSA-N	401.491	5.097	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	512780997	KKUWGWLWEVHQSY-HSZRJFAPSA-N	403.457	5.110	30	20	HKED	
CC(C)OCc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	513192284	HOSSBEGPIZPPLH-INIZCTEOSA-N	411.571	5.253	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)c1	513667897	UUKDFHGOXDQJKE-UHFFFAOYSA-N	415.399	5.171	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)CCC1(F)F	514851880	ALOIOWMSGSCOIF-SECBINFHSA-N	418.378	5.572	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1	515542337	UQZJYUOBGRAQOM-IBGZPJMESA-N	412.470	5.763	30	20	HKED	
C[S@](=O)Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	516002896	ZBQKRBIALOCZPC-LJAQVGFWSA-N	424.909	5.135	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3F)s2)cc1	516338541	AMGGOZBJVNHERG-UHFFFAOYSA-N	421.497	5.016	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)cc1	518049077	LHTPVPVATJLENZ-UHFFFAOYSA-N	413.408	5.075	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1	519451354	ABGHJDSAFZMHDU-LBPRGKRZSA-N	422.710	5.518	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)n1Cc1ccccn1	520562847	QMAZVQKNHXHOBF-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nccs1	521747763	YNQHHTPDORZXDD-HNAYVOBHSA-N	408.552	5.306	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccco1	521810409	NRJVWGNJABCSFG-GOSISDBHSA-N	405.523	5.908	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(Cl)s1	524439171	KGILJNXBKQVYNV-UHFFFAOYSA-N	411.914	5.482	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cc1OC	524540545	ODIHWJHTEKOQOW-SFHVURJKSA-N	403.478	5.652	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F	525443592	BERSZOCMFDBAPM-VWLOTQADSA-N	413.496	5.379	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	538296355	JLMKMWVIYAFLAF-UHFFFAOYSA-N	416.525	5.450	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCOC3)cc2)cc1	539029857	ZYCCSEFQTSBNJX-GBXCKJPGSA-N	413.477	5.250	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2ccccc2)n1C)c1ccc(C(F)(F)F)cc1	540429571	ILDHRZHLDQLQMF-LJQANCHMSA-N	400.448	5.298	30	20	HKED	
C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCO1	540657194	CUWWZXNMDYHGKF-KBPBESRZSA-N	404.388	5.123	30	20	HKED	
CCc1ccc(OCc2nnc(SCC3(C#N)CC3)n2[C@@H](C)c2ccccc2)cc1	540859550	WTMWIVWPUWCHIQ-SFHVURJKSA-N	418.566	5.425	30	20	HKED	
CC(C)c1ccc(-c2nc(C[S@@](=O)CCCC3(C#N)CCOCC3)cs2)cc1	541002264	QNWUODMYKUMUEM-NDEPHWFRSA-N	416.612	5.283	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	542000335	POSVPCKNQZSFGM-HOTGVXAUSA-N	405.523	5.270	30	20	HKED	
C=CCn1c(SCc2sc(C)nc2C(F)(F)F)nnc1-c1ccccc1C	542763779	JJECBIVYOUYWQA-UHFFFAOYSA-N	410.490	5.516	30	20	HKED	
N#CCCC[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1	552082959	LDZKKMBSECAARG-QFIPXVFZSA-N	419.456	6.051	30	20	HKED	
C=CCN(CCC#N)C(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(C)cc1	552755662	IOSAXTBKOLQLQX-UHFFFAOYSA-N	401.535	5.256	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(OC2CCCC2)c(OC)c1	553455245	MDIORNYTDLMSEY-UHFFFAOYSA-N	411.546	5.013	30	20	HKED	
C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCC(OC(C)(C)C)CC1	555274220	IYAIYQITQMAIGN-UHFFFAOYSA-N	418.585	5.382	30	20	HKED	
C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccc(F)c2ccccc12	559908614	YNJGUYCKFJUQES-CYBMUJFWSA-N	423.513	5.025	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1cccc(OCCCC#N)c1	559998636	ZYQXKNVTFOIYML-FQEVSTJZSA-N	405.542	5.304	30	20	HKED	
CCOC(=O)[C@@H](Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	561585006	VLBCMBRWFVNTPL-DEOSSOPVSA-N	400.478	5.048	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc(Cc2nccc3ccccc23)no1	564278686	GLNNUWNFDUTREV-UHFFFAOYSA-N	411.383	5.459	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC1C[C@@H](C)O[C@H](C)C1	570405461	YOYUONDPLWSZRI-QZTJIDSGSA-N	407.514	5.374	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1ccc(-c3cccc4cccnc34)cc1)CCCC2	578169876	INYMVFRFDDQWDV-UHFFFAOYSA-N	404.473	5.300	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	579872746	XQZPJZGSHMWYGH-JWUVWSEFSA-N	421.566	5.117	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1-c1ccccc1	582578353	WSMOHLCGJVVPPZ-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1	588995944	PLQLCWGEERWIOR-UHFFFAOYSA-N	408.914	5.234	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)CC1	592302018	QTDDKNLFCKUEIC-QHCPKHFHSA-N	411.615	5.301	30	20	HKED	
CC(C)(C)[C@H]1CCc2sc(-c3nnc(SC[C@@H](C#N)CCC#N)o3)cc2C1	608861737	OURQYBNCHKDIMU-HIFRSBDPSA-N	400.573	5.485	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCOc1cccc2ccccc12	609399439	XEPIBACZEHXVFG-KRWDZBQOSA-N	405.523	5.292	30	20	HKED	
C[C@@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)c1ccc(C#N)cc1	609813825	WDNKKIJMVGYPJE-RTBURBONSA-N	417.582	5.539	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCCC[C@@H]3c3ccco3)s2)cc1	609919391	LVRQBHBLEZMCPT-LJQANCHMSA-N	406.511	5.348	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	610142712	LDDVYSXOOLKLLY-PMACEKPBSA-N	422.598	5.067	30	20	HKED	
COc1ccc2c(c1)c(C(=O)NCc1ccc(C#N)cc1F)c(C)n2C1CCCC1	610197009	PDWGAETZGKEFKD-UHFFFAOYSA-N	405.473	5.014	30	20	HKED	
Cc1cc(Br)ccc1-c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1	618417211	WQCGWFJQCBNPKT-GOSISDBHSA-N	409.287	5.021	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc(COCCc2ccccc2)c1	618751471	XZOKYUUTNLSEOK-RUZDIDTESA-N	411.505	5.127	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](c2cccs2)C2CC2)cc1OCC	642972737	INCWMTCHGAHRSP-IBGZPJMESA-N	422.388	5.715	30	20	HKED	
CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c(Cl)c1	676423512	XSGBGIRBZQGYCR-UHFFFAOYSA-N	423.925	5.147	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccc(Cl)cc1	681173518	DSRDRGSJFLCZTN-GOSISDBHSA-N	400.869	5.126	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(OC)cc4)CCC3)n2)cc1	726324482	APCINYZEEMAEBM-FQEVSTJZSA-N	418.518	5.125	30	20	HKED	
C[C@@H](Oc1cccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1)C(=O)O	727685141	BNEPYBPTLGNRTL-KWWJGWKXSA-N	423.465	5.014	30	20	HKED	
Cc1cccc2c1C/C(=C/c1cc(Br)c(O)c(Br)c1)C2=O	729151100	OXXYZOZVDYFARY-WZUFQYTHSA-N	408.089	5.048	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	730919975	IBWUBKHJDHZZOL-QRVBRYPASA-N	423.299	5.598	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2)c1	731319916	QYDCLJYSBBZUER-UHFFFAOYSA-N	414.317	6.466	30	20	HKED	
COc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1OC1CCCC1	733621751	OFGKBFABYDFJNQ-UHFFFAOYSA-N	409.486	5.343	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	733634594	SJZFPPPEMMVDOX-UHFFFAOYSA-N	416.437	5.563	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1	733807975	XSCXYWIYTASYMK-KNQAVFIVSA-N	423.513	5.157	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc(CCC)cc1)c1cccs1)c1ccncc1	734655925	XEQRLZTZSXJFNZ-FYYLOGMGSA-N	405.567	5.802	30	20	HKED	
C[C@@H]1Sc2sccc2C(=O)/C1=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	742437022	PZTOFOLUAXOTCS-SOOGHKCXSA-N	400.506	5.540	30	20	HKED	
C/C(=C\C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	742686012	FOOSLRPXPQUGQP-JXMROGBWSA-N	419.287	5.452	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@]34CCCc3ccccc34)n2)cc1	744062706	VVEGPBLJAQGLNC-QVNIBDNGSA-N	414.530	5.289	30	20	HKED	
C=C(C)COc1cc(/C=C(/Cl)c2nc(=O)c3ccc(Cl)cc3[nH]2)ccc1OC	747063413	JVAPEAMGVRSDSI-LZYBPNLTSA-N	417.292	5.277	30	20	HKED	
COc1cccc(C=NO[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)c1OC	753821762	MHSYVJSDWOYGAN-LBPRGKRZSA-N	421.280	5.777	30	20	HKED	
C=CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccncc1	757212729	XNPNDOQUESMWAS-HNNXBMFYSA-N	416.255	5.106	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1	758536267	TVRBBPXTSDXMCL-VXKWHMMOSA-N	403.507	5.009	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c(C(F)(F)F)ccnc2Cl)cc1	759569551	DEJKHXMKLQFWFW-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc(N2CCOC2=O)c1	764431739	FFHWFOBBZXCMQZ-MDWZMJQESA-N	417.436	5.257	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1Br	764587093	VDOMWYRROFMALZ-CYBMUJFWSA-N	419.344	5.027	30	20	HKED	
Fc1ccc(-c2nc(C=Nn3c(S)nnc3-c3cccc(Cl)c3)cs2)cc1	767131620	TZCZMMJEZXFING-UHFFFAOYSA-N	415.906	5.032	30	20	HKED	
COc1ccc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1OCCCC#N	770289119	BVYQUGRKARLZNZ-DNQXCXABSA-N	422.569	5.246	30	20	HKED	
N#C[C@H]1C(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)=CC(=O)n2c1nc1ccccc12	775377981	HBCHLPMAFPQTMT-WMZHIEFXSA-N	416.912	5.008	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1	777239330	STELEFHYTBGJOF-GOSISDBHSA-N	421.928	5.316	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C)c1ccncc1	777741486	QXMBUTXCWITKAQ-VXKWHMMOSA-N	407.558	5.257	30	20	HKED	
C=CC[C@H](C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1	778428445	RUIDLNGULGHBNH-AWEZNQCLSA-N	403.265	5.447	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)c1	779141670	PMMJHPHDNMNLRO-UHFFFAOYSA-N	414.456	5.282	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)C2(c3ccc(Cl)cc3)CCCCC2)n1	779198013	BWMZPFRKNMOUCF-INIZCTEOSA-N	416.930	5.052	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccccc1OCc1ccccc1	780676521	CMXWVWPWEGQCRB-RBUKOAKNSA-N	415.493	5.439	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2c(Cl)ccc3cccnc23)SC1=S	781101900	XHCZNOHJKKPFCI-YVLHZVERSA-N	407.907	5.166	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1	788961147	RAGNSZGOQSBHBL-CYBMUJFWSA-N	400.356	5.509	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1	789451325	WAYKWETWQGYWGO-GOSISDBHSA-N	405.542	5.548	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(C(C)(C)O)cc1	794981822	RMQSQDXMXHNRGO-UHFFFAOYSA-N	414.431	5.226	30	20	HKED	
N#CC[C@H](CC(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1)c1ccccc1	796793371	PGVYAQOVTHATKQ-WZONZLPQSA-N	424.422	5.821	30	20	HKED	
Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cc1C#N	799329907	SMVHMUOCQPEIEG-UHFFFAOYSA-N	418.806	5.192	30	20	HKED	
CC(C)(C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc(F)cc(C#N)c1	803103445	UCQOZSMCWASFKA-INIZCTEOSA-N	404.407	5.010	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)OCC2CCC(C#N)CC2)cs1	810718939	QSYORXSIJDMRLY-UHFFFAOYSA-N	400.519	5.408	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1c(C=O)ccc2ccccc12	814780369	PXXRAKJGCKKYGC-MRXNPFEDSA-N	404.491	5.064	30	20	HKED	
CC(C)n1ncc2cc(C=NNc3ncc(C(F)(F)F)cc3Cl)c(Cl)nc21	873867811	OSPBMKBDFHQAAS-UHFFFAOYSA-N	417.222	5.179	30	20	HKED	
COc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCc1ccccc1	914501729	NCXNEKKBAIKNNP-UHFFFAOYSA-N	414.505	5.197	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915102796	HNMUYGWHGFXOBJ-HNNXBMFYSA-N	402.306	5.321	30	20	HKED	
CN(CCOc1ccccc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915351459	CIKZNYCIBZOTTJ-OAQYLSRUSA-N	419.912	5.538	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)o1	916739260	WGPOBDIKDYENTC-UHFFFAOYSA-N	415.493	5.363	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)nc2ccccc21	916844822	DVKXOYHIRLXMNT-IBGZPJMESA-N	421.928	5.530	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C)o3)nc2C)cc1	916915114	DINVIQAJTJCECI-SFHVURJKSA-N	421.522	5.324	30	20	HKED	
CC(C)(C)c1ccc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928178	VSBKQQDFVIPZOG-MRXNPFEDSA-N	419.308	5.017	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1	918331905	XPNZLKHGVAWYMQ-UHFFFAOYSA-N	408.461	5.232	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	920108273	RSKPBNCFNAHNOS-SJCJKPOMSA-N	408.807	5.200	30	20	HKED	
CC(C)CCSCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	920111803	ZOAUSXPKKLKDCX-CQSZACIVSA-N	413.395	6.072	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc(C)sc2C)c([N+](=O)[O-])cc1OCC(F)(F)F	921260776	DMFVCUQZLZNKDX-PLNGDYQASA-N	415.389	5.119	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(O)n2CCc2ccccc2)cc1	1652420976	XJXZOJMFJLDHAS-UHFFFAOYSA-N	412.518	5.057	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1	1791590389	YZGFEILJHQEQIB-JCNLHEQBSA-N	408.464	5.065	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2cccc(C)c2)cc1	10173533	FCHLFMMVDNWUBX-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1	17672322	ZMBQTWAEASNAIH-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccoc1C	23519182	URHHGKHYFCJFRB-CQSZACIVSA-N	416.934	5.114	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CSc3ccc(F)c(F)c3)c2)c1	32289278	FCDRVXWJWAEOBQ-UHFFFAOYSA-N	410.445	5.146	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nc2ccccc2o1	41547526	VBGCGDZJCVZYAI-SFHVURJKSA-N	408.413	5.643	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cccc1[N+](=O)[O-]	41548934	UPGWKKULDPCTBB-GFCCVEGCSA-N	405.357	5.022	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1	63750782	ZAQAZWHTXYPXHR-UHFFFAOYSA-N	400.404	5.038	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	106193485	LJMYOSSCXGXSEI-ACCUITESSA-N	419.437	5.281	30	20	HKED	
Cc1ccc(OCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C	108373886	ZOCVGJZKBPNNFH-UHFFFAOYSA-N	414.505	5.356	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc2cc(F)c(F)cc2s1	116154012	GIRRMIXGQNABPE-UHFFFAOYSA-N	423.469	5.850	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1	116712578	XXYAOHULCANBDM-UHFFFAOYSA-N	421.497	5.317	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc2ccccc2n1C(F)F	149728708	MEVPJGGUNLHXBK-QGZVFWFLSA-N	404.376	5.109	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(Cc3ccccc3F)o2)cc1	303172303	JIAWNSNLNVYFNK-UHFFFAOYSA-N	401.466	5.630	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1	410197539	BIMVHPHJVRWVSC-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cccc(SCC#N)c1	429812065	TYLKJBJTLDZRNL-SFHVURJKSA-N	402.519	6.003	30	20	HKED	
N#Cc1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c(Cl)c1	430349242	CYHCVTCOBDYLKW-UHFFFAOYSA-N	423.925	5.487	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1F	431832361	KNTSKCTZOWQVLS-QRWLVFNGSA-N	415.509	5.976	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)s1	433518385	PTCFEBMQAGKTJS-UHFFFAOYSA-N	418.522	5.527	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1	435739711	HIFAVIBWIVCKBD-MRXNPFEDSA-N	419.435	5.231	30	20	HKED	
CCc1ccnc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	436340725	UWXQMSXAFJSGEW-NRFANRHFSA-N	404.901	5.275	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1	436349910	DYGMMKDVYUVIJE-UVBSCNOISA-N	403.910	5.408	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ncsc3-c3ccccc3)c2)c1	438049552	BNAJPORMYUCNQP-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@@H](c3ccccc3C)C2)cnn1-c1cccc(C#N)c1	439696066	RTCSEPPQPJPTRJ-HXUWFJFHSA-N	413.525	5.026	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@H]3C)o2)cnn1-c1cccc(C#N)c1	440072623	NXCPSVZBQAZTAN-GEALJGNFSA-N	414.509	5.155	30	20	HKED	
CCc1c(C)sc(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)c1C#N	443530613	JRECTMVLCLXICM-UHFFFAOYSA-N	401.582	5.592	30	20	HKED	
Cc1cc(C)n(-c2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2F)n1	444035444	WEBOZZSBTILTCS-UHFFFAOYSA-N	415.472	5.139	30	20	HKED	
N#CC(CCN1CCSC[C@H]1c1nccs1)(c1ccccc1)c1ccccc1	444687204	UNLBILWLIWUFPD-NRFANRHFSA-N	405.592	5.133	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1	447586182	MRKXJFMYJFHISS-QEORTHHSSA-N	404.377	5.614	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	460374202	KDKUHYVWOZIYGY-MNEFBYGVSA-N	420.479	5.312	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)o1	468063054	XTTNMEMCXCNJHR-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1cccc(F)c1	472764068	GYHKJNGVFRYLSH-YCRPNKLZSA-N	420.513	5.360	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(C3CCCCC3)CC2)cc1	473634799	ZDZDLULHCYSRLT-UHFFFAOYSA-N	418.541	5.269	30	20	HKED	
Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1	476129273	BDYQHTPQKZNMRB-JOCHJYFZSA-N	414.530	5.331	30	20	HKED	
Cc1ccc2c(N3CCC[C@H](c4nccs4)C3)c(C#N)cnc2c1Br	479963936	YLWKUSPRKWIALY-ZDUSSCGKSA-N	413.344	5.018	30	20	HKED	
Cc1ccc(-c2noc(CCCNc3ccccc3SC[C@H](C)C#N)n2)cc1F	480038810	TUESFPPKKYQYHZ-OAHLLOKOSA-N	410.518	5.481	30	20	HKED	
CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1	480801761	HGDXGCXONCWOCV-QFIPXVFZSA-N	417.465	5.111	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C	482200251	NJRCBSDLKGGHAY-HXUWFJFHSA-N	420.561	5.188	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	482343865	SLTYBLRUWWRECB-UHFFFAOYSA-N	408.404	5.224	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482396216	LGQXZIQDPJTICW-SFHVURJKSA-N	411.374	5.060	30	20	HKED	
Cc1cc([C@H]2CN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CCO2)ccc1F	482930932	LLOQFDRICYRESG-OXQOHEQNSA-N	413.518	5.134	30	20	HKED	
CC(C)c1c(NC(=O)N(CCC#N)Cc2ccco2)cnn1-c1ccc(Cl)cc1	485152024	ZURKLQJSAMQZAE-UHFFFAOYSA-N	411.893	5.190	30	20	HKED	
CSc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1[N+](=O)[O-]	486226452	NZFPCGWOYZEGJG-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
C=C[C@H](CC(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccccc1	486918911	DBAJHUUSOJPHIU-QGZVFWFLSA-N	419.443	5.067	30	20	HKED	
COc1ccccc1SCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	488194923	DTSGPBFRKIHBPQ-UHFFFAOYSA-N	420.509	5.027	30	20	HKED	
C=CCn1c(SCC(=O)c2ccccc2OC(F)F)nnc1-c1ccccc1C	488872910	BKMVVSIEOUEZRE-UHFFFAOYSA-N	415.465	5.016	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)c2ccccc2Br)nnc1-c1ccncc1	489399821	CWACPAHRPJUSRU-AWEZNQCLSA-N	415.360	5.532	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)o2)cc1	489807359	MDTMCVRMPDPBDF-UHFFFAOYSA-N	423.538	5.464	30	20	HKED	
C=CCOc1ccc(/C=C(\CCCC(=O)O)c2nc3ccccc3s2)cc1OC	493882449	QRVRYULFVGXAIS-SAPNQHFASA-N	409.507	5.665	30	20	HKED	
N#CCN(C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2)C1CC1	495501759	GSJRRBYEYGFDFN-BMRADRMJSA-N	413.908	5.503	30	20	HKED	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F	498823869	ZZPSKYXPIHHHIU-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(CSc3ccccn3)c2)cc1	499078203	WDPDBIUQRIGYJR-UHFFFAOYSA-N	405.548	5.117	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ncon2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	499601052	RQTHBNLGEQVBMZ-INIZCTEOSA-N	406.854	5.004	30	20	HKED	
N#CC1(CCCN[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CCOCC1	499629329	YZUSZVOBBXDXBN-TZIWHRDSSA-N	408.508	5.812	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	499697144	QEDBCHFKIKOONY-UHFFFAOYSA-N	414.505	5.300	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c1	500236897	ICTDUXRKYBSKHY-QHCPKHFHSA-N	401.535	5.087	30	20	HKED	
Cc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2[nH]c(C)c(C)c2c1	501429536	NLRMWSSVHAOJMF-UHFFFAOYSA-N	402.542	5.333	30	20	HKED	
CCc1nc2ccccc2c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C	505322503	HOKIPAXCQMXAMC-UHFFFAOYSA-N	412.518	5.277	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	505971446	PHAKRZMUKWRDHN-OAQYLSRUSA-N	405.379	5.239	30	20	HKED	
COCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	506361991	GTXGEPIBQAXGFS-FPOVZHCZSA-N	423.900	5.488	30	20	HKED	
C=C(C)CCc1noc(C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1	508639898	WZIADIQMVCRZMU-UHFFFAOYSA-N	400.832	5.030	30	20	HKED	
O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509293628	JZTWRZKGVJCFAZ-HNNXBMFYSA-N	409.301	5.077	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N1CCC[C@H]1c1cccs1	510203942	QANYGRBCMSXJRB-UZLBHIALSA-N	419.575	5.526	30	20	HKED	
CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	512919439	ZKACFKGFIBJSLW-KRWDZBQOSA-N	413.477	5.301	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCC(OC(F)F)CC1	514870736	ZEHKJNNLIDYOFJ-UHFFFAOYSA-N	418.871	5.543	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1cccc(C)c1	514985000	FHCYGVGXUXETLJ-OAQYLSRUSA-N	420.582	5.219	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(C)cs1	517104677	SYVNLOLAFZWGMJ-LJQANCHMSA-N	424.501	5.314	30	20	HKED	
C=C1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1	518181233	UJGQLWDDLZMXPD-UHFFFAOYSA-N	411.508	5.148	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCC1(F)F	521118220	LISZBRFFPFBQOV-AWEZNQCLSA-N	419.859	5.300	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3scnc3-c3ccccc3)c2)cc1	522310681	IMTSXDFVECIDAF-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1)C1CC1	523007024	YITPSZHVYKDECP-INIZCTEOSA-N	422.554	5.093	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C2CC2)o1	524437045	VRHNLHOVGIZSMF-WBMJQRKESA-N	401.413	5.073	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1NC(=O)NC(C)(C)C	524911221	LRTWLQFAMPUROJ-HNNXBMFYSA-N	406.511	5.015	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2csc(-c3ccco3)n2)c1	532428430	TXQLULSVNFJKHR-UHFFFAOYSA-N	401.491	5.144	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)C1CCCC1	533062300	FSVBETNYMOGILE-UUOWRZLLSA-N	407.583	5.398	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2c(F)cccc2F)c1)c1nc(-c2ccncc2)cs1	533868916	SPTGTBGFQDCWDR-KRWDZBQOSA-N	417.440	5.640	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@@H](C2CCN(C)CC2)C1)c1ccc(C(F)(F)F)cc1	534442853	PVBJYKNRIWUXBI-TZIWHRDSSA-N	423.523	5.086	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	536914159	GYTOUMMHLJWRJW-GOSISDBHSA-N	414.509	5.172	30	20	HKED	
CCC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)c(Cl)c1	537052620	MRFPNRYXQAPURQ-GOSISDBHSA-N	401.297	5.546	30	20	HKED	
Cc1cc(NC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)nn1CCC#N	537512532	LJSIRWGJYQQOKH-UHFFFAOYSA-N	408.893	5.015	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCn1c(C2CC2)nc2ccccc21	537641978	LYZXOGFSLQZDCD-MRXNPFEDSA-N	404.539	5.337	30	20	HKED	
COc1ccc2nc(C)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	537668015	UITXZFRCVWRQSH-FQEVSTJZSA-N	424.485	5.037	30	20	HKED	
C=CCCC[C@H](C)NCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1	538451104	CFMDRPFTRDBVPB-AWEZNQCLSA-N	411.493	5.681	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccn2[C@H](C)Cc2ccccc2)cc1	540219735	HYOFRRFAONWJCL-HXUWFJFHSA-N	401.510	5.251	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	542025876	IHQGINDWYSIDPL-DNVCBOLYSA-N	411.575	5.428	30	20	HKED	
N#Cc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)ccc1Cl	548294793	WMQHPIWACBIERE-INIZCTEOSA-N	405.281	5.065	30	20	HKED	
O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)c1	549544392	MVDPLWUDLZUGAP-AWEZNQCLSA-N	414.252	5.285	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)cc2)cc1	550122270	JYYWXCQZNFHAHU-HQOBLLPJSA-N	420.509	5.043	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1c(F)cccc1F	561135793	GCABVOBDZDOSBU-ZIAGYGMSSA-N	406.523	5.792	30	20	HKED	
CC(C)(C)c1nc(Cc2noc(-c3cn(CCCC#N)c4ccccc34)n2)cs1	567119456	PTHNDJZWHOCBCW-UHFFFAOYSA-N	405.527	5.340	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)n1	573075670	HYDZWZHWORYLSB-RDJZCZTQSA-N	407.436	5.019	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OC(C)C)CC1	583393329	QZGLBHGQWWMMLB-IBGZPJMESA-N	420.557	5.151	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1-c1ccccc1	589543494	KEIRLXGYBBHVEX-UHFFFAOYSA-N	422.444	5.074	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1	603689345	IEMAOXHFAZPLDT-HSZRJFAPSA-N	406.938	5.351	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1sc(C)c(C)c1C#N	603948024	XNYZCLMKZPAXNP-UHFFFAOYSA-N	413.499	5.250	30	20	HKED	
CC(C)(C#N)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1	603975164	GZUHOPSGETYJOP-UHFFFAOYSA-N	403.718	5.249	30	20	HKED	
N#Cc1c(NC(=O)c2ccccc2OCc2cscn2)sc2c1CCCCCC2	603996107	KBBNFMJQPTVECK-UHFFFAOYSA-N	423.563	5.567	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608333893	TWYJHHFHLQVOKR-RNFRBKRXSA-N	408.264	5.135	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)nc3n4CCCCC3)cc2)nc1	609496848	KVJOOLBWXBWNRQ-UHFFFAOYSA-N	423.476	5.074	30	20	HKED	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	609509092	OIQBBFRZASOURG-VNCLNFNDSA-N	414.958	5.199	30	20	HKED	
Cc1cccc2[nH]cc(CCNC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c12	609518122	GOSICTNHNAGDME-UHFFFAOYSA-N	409.489	5.307	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H]2OCCc3ccccc32)c1	609724773	LAUGIHPBXIWYKE-HSZRJFAPSA-N	418.880	5.048	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1	610273587	UJIPDLPHLWMKQB-UHFFFAOYSA-N	404.395	5.299	30	20	HKED	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	610331087	RBSRHBUWJKXAOZ-PXNSSMCTSA-N	417.431	5.209	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cn2)c1	610629315	BAWYBBURFJUCFR-PKTZIBPZSA-N	423.476	5.049	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1C#N	611184409	VEUJCPVZCULPPG-UHFFFAOYSA-N	413.449	5.659	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1Cl	611803001	GSQOOCNTPOVAIG-GOSISDBHSA-N	417.896	5.104	30	20	HKED	
C=CCn1c(SCc2ccno2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	619150985	SJEZTKVMTUMHFS-UHFFFAOYSA-N	413.499	5.039	30	20	HKED	
C=CCn1c(SCC(=O)c2sc3ccccc3c2C)nnc1-c1cccnc1	677560504	OQDSGWZZLVQTGL-UHFFFAOYSA-N	406.536	5.024	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1	730080090	HGQPQCRFZKUEAP-GOSISDBHSA-N	402.404	5.408	30	20	HKED	
C#CCOc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1	730980742	QWMLYYWGUMQPMI-UHFFFAOYSA-N	401.249	5.221	30	20	HKED	
CC(C)N(CCC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)OC(C)(C)C	731349804	SHLICTONRMUAFA-MRXNPFEDSA-N	405.564	5.055	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccc4ccccc4c3)cc2)cc1	731539912	ITEXLTMDURFJJI-RUZDIDTESA-N	423.472	5.359	30	20	HKED	
Cc1csc(SCc2c(C(=O)Nc3ccc(C#N)cn3)oc3ccccc23)n1	731988715	DHAZKVWXDMYYGL-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cccs1	732038392	MNAMOZOIVWNWLZ-LJQANCHMSA-N	412.511	5.216	30	20	HKED	
N#CCOc1ccc(COC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	733494379	ABFLFWSMJVNLRI-DQEYMECFSA-N	413.473	5.015	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCOc2ccccc2-c2ccccc2)c1	733772006	WIWGLJURAMBIPB-JOCHJYFZSA-N	414.505	5.120	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	733775540	ZJRBYJKNFJBAHO-GOSISDBHSA-N	411.461	5.106	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)c1	733842161	QIBSBKQUOSKIQP-JOCHJYFZSA-N	415.493	5.268	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)O[C@H](C)COc3cccc(C#N)c3)cs2)cc1	733860910	ISDASUWSMFBODZ-MRXNPFEDSA-N	422.506	5.093	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1	735790794	QBTCDBDKPTYNKW-JOCHJYFZSA-N	409.489	5.178	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)c3cccnc3)c2)s1	740059635	LLGNBUYNFQQGOG-DEOSSOPVSA-N	424.529	5.271	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1C(F)(F)F	744371652	WZYUOKMCAQGOMW-UHFFFAOYSA-N	418.378	5.440	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)COc2cc(Cl)c(Cl)cc2Cl)n1	747193756	PDOXTBMOHHZSLA-SECBINFHSA-N	403.718	5.482	30	20	HKED	
C=CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc(CCC)cc2)cc1)c1ccncc1	749726682	RUHBHIHPIXOTCY-XMMPIXPASA-N	413.521	5.073	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(OC)cc1	752484924	YZQCNJZAZROTOZ-UTKZUKDTSA-N	415.518	5.451	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(Cl)nc1	759032454	FFUIQBCMTVFTNE-XVNBXDOJSA-N	411.836	5.411	30	20	HKED	
C/C(=C\c1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	759267115	GINUGWMUNDLWBZ-JNMQVBFRSA-N	403.894	5.615	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCc1nc(-c2ccc(SC(C)(C)C)cc2)no1	762347191	CEMFUQRCVJXSFR-UHFFFAOYSA-N	408.527	5.002	30	20	HKED	
C=CCC[C@H](C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccccc1	765099324	BPCNVAQOOLRGJX-IBGZPJMESA-N	417.471	5.265	30	20	HKED	
O=C(/C=C\c1cncc(Br)c1)c1ccc(Br)cc1Cl	767360923	UCXITGQXZRTWMJ-RJRFIUFISA-N	401.485	5.156	30	20	HKED	
N#C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc(Cl)cc1	768155540	FNHBBAFHUKPHMK-QMMMGPOBSA-N	409.487	5.343	30	20	HKED	
Cc1cccc(C2=CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1	771443414	MFLSKBVFGJFEET-SANMLTNESA-N	407.517	5.972	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3ccc(F)cc3C2=O)cs1	776194168	ZCDBHUXLDCQDKM-GZTJUZNOSA-N	406.482	5.488	30	20	HKED	
CC(C)(C)Sc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccn1	779192856	BGBBAUMXVLMZOF-ZDUSSCGKSA-N	401.944	5.725	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1	781953453	IINJRZRBLVLPSU-UHFFFAOYSA-N	414.292	5.826	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)NC(C3CCCC3)C3CCCC3)ccc21	787478564	JYGNXVSTTRUYPR-UHFFFAOYSA-N	422.573	5.140	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccccc2Br)CC1)c1nc2cc(F)ccc2s1	789368944	IQJZOAWEYCCNII-GFCCVEGCSA-N	415.287	5.106	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1C(CC)CC	790293293	WQRAJZKTQNDLNZ-JOCHJYFZSA-N	400.526	5.714	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nccc3ccccc23)cc1	792094117	CQVVMFCYCYDOMM-FQEVSTJZSA-N	401.466	5.001	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1cnc2ccccc2n1	792107236	DGEYPRFULJCXNR-VABKMULXSA-N	419.484	5.189	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)N[C@@H](C)c1ccc2ccccc2c1	795989938	IFNBBIUNSVKEJI-JXQFQVJHSA-N	414.505	5.036	30	20	HKED	
CC(C)(C)OC(=O)N1Cc2ccc(COC(=O)C[C@@H](CC#N)c3ccccc3)cc2C1	796866325	PLUSACIIGZEYIP-HXUWFJFHSA-N	420.509	5.068	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(CC[C@H](O)c4ccccc4)cc3)CC2)c1	797087402	HKZMLTAZRUJIGJ-DEOSSOPVSA-N	414.480	5.034	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)s1	797569900	ZGUUDUVKIQXUJB-HRCADAONSA-N	421.591	5.977	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c1	801900444	ZZERKADDTWGIMI-OAQYLSRUSA-N	418.472	5.199	30	20	HKED	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	810284165	KOZQYLHUIKXOAX-UHFFFAOYSA-N	416.481	5.285	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@H](C)CCCCC(=O)O	814926663	DRIAVJPBLYSLOV-CYBMUJFWSA-N	408.424	5.231	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)N(C)C)cc1	814949257	XUTHTBUKYBCOHB-UHFFFAOYSA-N	417.353	5.262	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)cc1	916052121	YSFYJGJNAZYSKS-OAQYLSRUSA-N	410.395	5.378	30	20	HKED	
CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(O)c(CN2CCCCC2)c1	916545579	OVQCZWVFQWRHMT-UHFFFAOYSA-N	406.555	5.338	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3ccccc3)cc2)c1	916899857	WRVZMRVUMSHBCX-QFIPXVFZSA-N	400.503	5.249	30	20	HKED	
CN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	918052809	SQBGBMPGKBXNFZ-UHFFFAOYSA-N	407.857	5.373	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920804037	JAINEQFRYXJXRL-FZMZJTMJSA-N	418.852	5.385	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CCC1	1788913928	SHSXOCUQWKBKES-QGZVFWFLSA-N	401.510	5.128	30	20	HKED	
CC(C)/C=C/C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1	1792123704	BMIWRMJFRRUYRR-BNOPAZPUSA-N	415.537	5.274	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2)C(C)C)n[nH]1	1814932273	ZSKGNSBEPVKQIS-HARLFGEKSA-N	422.573	5.054	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccccc2)cc1	10170515	BCWITADRRFUQCS-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(C)c2)c1	10826958	IOULUSATAJKDLQ-UHFFFAOYSA-O	409.962	5.604	30	20	HKED	
CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccccc2)cc1	11249576	UGMWGORCIYVCHL-UHFFFAOYSA-O	411.497	5.427	30	20	HKED	
C=C(C)CN(CC)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1	24458108	SIEFBRHVXZAMGO-UHFFFAOYSA-N	404.850	5.087	30	20	HKED	
COc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)ccc1OCc1ccccc1Cl	32615148	HJHSMWAUGYRCHU-UHFFFAOYSA-N	420.896	5.071	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4)n3)n2)cc1	60043640	GTPDGXRBIBWZIK-QGZVFWFLSA-N	417.515	5.432	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	64715398	UAZGIQPSQVPBTA-NSHDSACASA-N	423.366	5.301	30	20	HKED	
C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(NC(=O)c2ccncc2)cc1	301243641	AJWPAASQAMJHKT-CQSZACIVSA-N	410.399	5.397	30	20	HKED	
COCc1nc(NCc2cc(C#N)ccc2F)c2c(-c3ccccc3)csc2n1	301476044	SPLRYPWIDSUUKA-UHFFFAOYSA-N	404.470	5.128	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)nc2ccccc21	303256739	ADONARTWSXHFCE-HXOBKFHXSA-N	415.493	5.422	30	20	HKED	
CCc1cccc2c(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c[nH]c12	303410093	QZXFPYGFCNFZFU-UHFFFAOYSA-N	410.477	5.279	30	20	HKED	
C=CC[C@H](CC)NC(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12	410122822	NOHMEAFBKIAYIN-KRWDZBQOSA-N	406.526	5.256	30	20	HKED	
N#CCCCn1cc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c2ccccc21	427839787	FMVSGQULLAHPCD-UHFFFAOYSA-N	403.448	5.330	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)cc1)N[C@@H](c1cc(F)ccc1F)C(F)F	432898121	PYTPISYEKKLJOP-AWEZNQCLSA-N	410.289	5.034	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(CO)CC3(CCC3)C2)cc1Cl	433250062	YLNALNFBDWFXOR-FQEVSTJZSA-N	423.944	5.060	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1	433855407	BONSMZLCBATZOL-UHFFFAOYSA-N	408.517	5.804	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F	437483508	MJESPKWLLPYYGB-UKRRQHHQSA-N	406.379	5.797	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)cc1F	437498503	NZLCFXIFIPOAEI-UHFFFAOYSA-N	424.378	5.369	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	437808193	XGDQULWXNLLWIH-BFUOFWGJSA-N	403.404	5.201	30	20	HKED	
COc1ccc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1OCCCC#N	438278949	UVWBBKXWAMOBEI-FQEVSTJZSA-N	424.932	5.245	30	20	HKED	
CCCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCCc2cccnc21	442054520	KECMCYKQVWCORL-KRWDZBQOSA-N	418.419	5.173	30	20	HKED	
Cn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C1CC1	442673673	TYQHAXSCOVXHPW-CYBMUJFWSA-N	417.321	5.218	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)n1	442812359	FAYZEGHYFJGTOO-MRXNPFEDSA-N	422.506	5.367	30	20	HKED	
Cc1sc(CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)nc1C(C)C	447478484	LWPBLDHSJZSTDP-NRFANRHFSA-N	419.550	5.078	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3nc(-c4ccc(Cl)s4)cs3)on2)c1	448019834	YOLBVBCNSHPJEB-UHFFFAOYSA-N	412.883	5.304	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)CCc1cccn1C	466131311	RCBWBGDLPINOKT-SFHVURJKSA-N	402.498	5.140	30	20	HKED	
C=CCC(CC=C)C(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C	467841014	XZCHDOWBUWGFAR-UHFFFAOYSA-N	416.871	5.303	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c2)cc1	468522927	NBHXOSSENAAVMD-UHFFFAOYSA-N	415.337	5.259	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCOCc3ccccc32)c1	470633190	CWQPRNMPFDIARU-UHFFFAOYSA-N	404.853	5.181	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C(F)(F)F)o1	471743427	DWQWWGWJFCATNM-UHFFFAOYSA-N	420.774	6.177	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C(F)(F)F)o1	471826440	NFXAHQHAPYUXFR-UHFFFAOYSA-N	422.350	5.884	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3	476797390	XNMYPAKQDBCPLD-QGZVFWFLSA-N	417.509	5.058	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)NCC(C)(C)CCC#N)n1	477135477	QGXCEVAXTIDWMW-UHFFFAOYSA-N	403.914	5.040	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12	477569041	FDIITMKMVMZTEP-AREMUKBSSA-N	405.501	5.642	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccccc2)CCCCC1	477635267	KEQHIDHAXNZXDO-IBGZPJMESA-N	407.583	5.469	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1	480688022	YUCAFAXSAPMDAT-UHFFFAOYSA-N	420.561	5.185	30	20	HKED	
O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cccc(C(F)(F)F)c1	484862621	VOMBPKRQPTXWCL-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccccc2)c1	485502287	DWZNSOBAIRZVNR-UHFFFAOYSA-N	402.519	5.147	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1	486202332	BZHUJPQOVLMCDI-KRWDZBQOSA-N	417.534	5.103	30	20	HKED	
N#C[C@@H](NC(=O)c1c(F)ccc(Br)c1F)c1cccc(Cl)c1Cl	486438588	ZNIYQCGGSIHBPD-LLVKDONJSA-N	420.040	5.029	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	488064581	MKDSFMOZQHIDFK-OAHLLOKOSA-N	409.383	5.604	30	20	HKED	
Cc1ccc2ncc(C#N)c(OCC(=O)Nc3c(Cl)cccc3C(F)(F)F)c2c1	488290440	UZSMCOBIDPRZEG-UHFFFAOYSA-N	419.790	5.105	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cc(F)c(OC(F)F)cc1F	491294187	IGGQLYWYNJGNAD-VIFPVBQESA-N	424.316	5.810	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C	491648860	RXXJGVNVQPSEDS-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1c(Cl)cccc1Cl	499860197	HTBCOIMBJCFDRP-KRWDZBQOSA-N	419.239	5.299	30	20	HKED	
C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccccc1Sc1ccccc1C#N	501018856	ICRCEDBOGJMVGP-OAHLLOKOSA-N	424.472	5.185	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)CC2)cc1	503642790	LKZOZZQCDHMUPR-UHFFFAOYSA-N	415.493	5.311	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C#N)cc1	504389322	SBKTVIHWAIGMGV-KRWDZBQOSA-N	408.954	5.476	30	20	HKED	
N#C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1	505976221	KVHGZYRKJHCWBH-MRXNPFEDSA-N	403.429	5.019	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	506898586	MUESNCZNLGRKIP-AWEZNQCLSA-N	410.289	5.300	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510674030	GLHJXXWRBRAGHP-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	511073254	GOMWTRKLJIPGED-UHFFFAOYSA-N	418.566	5.036	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	511885170	OURBVULJQKKEJQ-ZFWWWQNUSA-N	400.338	5.017	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1C1CCCCC1	512973539	AHFIUEVQGLKGIO-HXUWFJFHSA-N	404.539	5.619	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	515218103	HXJWOBIPZGKVAH-NRFANRHFSA-N	402.523	5.283	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2	515282112	HEXNQBAZEZKUJV-UHFFFAOYSA-N	417.468	5.878	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc21	516270111	NCTZCOWWEUNWHP-FQEVSTJZSA-N	424.529	5.783	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21	517777394	FGTWRYOAYOHXDK-NRFANRHFSA-N	413.468	5.157	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CSc2ccc(C(C)(C)C)cc2)c1C	523534831	QDLDNTMWAZISIO-UHFFFAOYSA-N	418.566	5.389	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1	532504857	LZLHIWFCZYGISP-SFHVURJKSA-N	400.478	5.068	30	20	HKED	
Cc1cccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)[nH]2)c1	534507704	XGZIMOJCNYCYAC-UHFFFAOYSA-N	423.476	5.313	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC)c1ccccc1	536207616	BKHUHOFPODEGDS-OXJNMPFZSA-N	414.343	5.481	30	20	HKED	
CC(C)C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	537051659	CMLWHZZOYNZOMH-LJQANCHMSA-N	414.431	5.504	30	20	HKED	
CC1(C)CC[C@H]2C[C@H](NC(=O)CCCC(=O)Nc3ccccc3C#N)c3cccc1c32	539578488	HUHZKTOISPMPFX-JTSKRJEESA-N	415.537	5.083	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccc(C#N)c(Cl)c1	540273356	JHGWEZFHJHOQRF-UHFFFAOYSA-N	409.917	5.096	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ncc(Br)s1	541175756	CKLCFVGYGMSULV-KGLIPLIRSA-N	412.356	5.856	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1	543288138	PZLJGCXKYVGBFU-HNNXBMFYSA-N	418.360	5.681	30	20	HKED	
C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1Cl	551569960	BEHLBUYDVGSZAK-SPLOXXLWSA-N	422.878	6.049	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN4CCCC4)cc3)n2)cc1	554320115	SPFVATBBDYQSHT-OAQYLSRUSA-N	401.535	5.204	30	20	HKED	
CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CCC(F)(F)CC1	554400209	UAFDSAPBKDDULZ-UHFFFAOYSA-N	413.468	5.373	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OC(C)(C)C)CC1	555267406	YNNOKBZKRJRTOM-UHFFFAOYSA-N	406.933	5.098	30	20	HKED	
CC(C)c1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1	576390297	LHWFGGLYLKYOMO-UHFFFAOYSA-N	411.509	5.189	30	20	HKED	
CN(C)CCCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	582155980	OJWHYCUKJSQMJP-UHFFFAOYSA-N	405.420	5.040	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1nc2ccccc2o1	584199629	QGACSQPYAJAEKO-KRWDZBQOSA-N	421.478	5.508	30	20	HKED	
N#CCCCn1cc(-c2nc(Cc3nc4cc(F)ccc4s3)no2)c2ccccc21	589127981	IVNXSMTVUMMLLF-UHFFFAOYSA-N	417.469	5.335	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2cccc(F)c2)C1	589532489	DSZVIJQKTSVNJV-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C=CCn1c(Sc2cc(CC)nc(-c3ccccn3)n2)nnc1-c1cccc(C)c1	597900837	HSQPDBFDWDDNGL-UHFFFAOYSA-N	414.538	5.005	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)n1	603637954	RNTUOZZQNHDGDC-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)NCc1ccccc1Cl	604459731	IOJJGLIRFHXTFC-INIZCTEOSA-N	405.885	5.121	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2csnn2)cc1	606769571	AJKXOUQMBGVMBY-UHFFFAOYSA-N	405.401	5.041	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)n2)cc1	608930683	ACHFMTDQQWGPSC-UHFFFAOYSA-N	413.424	5.371	30	20	HKED	
N#CCn1c(C(=O)Nc2ccccc2Oc2ccccc2Cl)cc2ccccc21	609161769	SRPLDRJWQOJFDD-UHFFFAOYSA-N	401.853	5.863	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1	609189944	GCKNCQXRIKKSGS-UHFFFAOYSA-N	405.523	5.077	30	20	HKED	
C=CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccc(Cl)s1	609384917	UDHUYIRFLVQRIS-OAHLLOKOSA-N	420.003	5.422	30	20	HKED	
COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	609398823	UUUHVVKBIGQRCM-HKUYNNGSSA-N	409.555	5.186	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(OCCCC#N)c1	609754415	VKLAEJHVEQREBZ-QGZVFWFLSA-N	415.331	5.339	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1Cl	609783675	DJRQGNDVOTYFQN-GCJKJVERSA-N	416.908	5.890	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4C)c3C)n2)cc1	613318754	CFDBWEUOHHJAGW-IBGZPJMESA-N	412.518	5.411	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nc2ccccc2o1	614439831	MNCKUDADHMYIDV-SFHVURJKSA-N	424.485	5.258	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccc(F)cc3C(F)(F)F)no2)cc1	618399603	SKIISJXMRYFCKQ-KRWDZBQOSA-N	402.351	5.108	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4cc3OC)n2)cc1	619756448	KJRDEQWFSCLNHS-HXUWFJFHSA-N	414.486	5.471	30	20	HKED	
Cc1ccc2c(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c2c1	726329632	VFGJNXKTFHJKJZ-HNNXBMFYSA-N	407.445	5.297	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1nc(-c2ccccc2)no1	726738264	ORIHGDIYRSDJBC-UHFFFAOYSA-N	406.877	5.145	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cccc(OCCC(=O)O)c2)CC3)cc1	727655046	RXWZGJBYRIAGBU-AQTBWJFISA-N	419.502	5.185	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728299110	NONIOTVXSUZADN-INIZCTEOSA-N	421.447	5.163	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(O[C@@H](C)C#N)cc2)CC3)cc1	728698639	PBOYOXNGFBTGLO-UEIJICEPSA-N	400.503	5.622	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1	728755693	WJNZJJXUMRVWRG-CLJLJLNGSA-N	418.500	5.648	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1	729161329	MTNABWSRIOPPTF-UHFFFAOYSA-N	402.907	5.368	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(C#N)cc1F	729654245	ZXXOSJGLEFWMSE-UHFFFAOYSA-N	415.346	5.180	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NCc1cccs1	730955392	ZRLIELQKSXXZSH-UHFFFAOYSA-N	401.504	5.259	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	731287554	FPHSEMLLTPSCOE-QRVBRYPASA-N	406.844	5.083	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C(/Cl)c2nc(O)c3ccccc3n2)c1	731317871	DUQTUZSVRAODOT-FYJGNVAPSA-N	413.864	5.523	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)c1	731999081	BPNAYBHLQJWVOE-UHFFFAOYSA-N	420.509	5.232	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl	732434746	FVYBNMFYYLKICS-SJCJKPOMSA-N	424.353	5.100	30	20	HKED	
CC[C@H](NC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccc(Cl)s1	734068236	ASDFKUNDPWVZEE-CABCVRRESA-N	421.950	5.042	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	735395774	CEDGIBCZCQPVSY-APWZRJJASA-N	407.311	5.442	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(O)c1Cl	735666509	MWVYBUMTAFQABN-UHFFFAOYSA-O	417.982	5.008	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1	743140734	VBAQZTDGVSLHRX-AWEZNQCLSA-N	412.877	5.228	30	20	HKED	
COc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F	743473052	KTGRIKJFHOPLLY-AWEZNQCLSA-N	423.875	5.785	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)c3cc4sc5ccccc5c4s3)o2)c1	744523791	VDTPIRXUMLYWNT-UHFFFAOYSA-N	417.471	5.395	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)C3(Cc4cccc(Cl)c4)CCCC3)o2)cc1	745164866	QCCDYOSBRNSSDZ-UHFFFAOYSA-N	421.884	5.108	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	746139661	ZLPIXLZMWSOESE-JSGCOSHPSA-N	418.349	5.472	30	20	HKED	
N#CCOc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)cc1	746205932	FECRLLSQVXJRBK-UHFFFAOYSA-N	410.832	5.104	30	20	HKED	
COc1ccc(CNC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1C#N	746773052	QCFRPNWBSWZUET-KRWDZBQOSA-N	405.523	5.101	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(N2CCOC2=O)cc1	748585077	WNXPNMHDOCDRRK-PKNBQFBNSA-N	420.446	5.176	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccccc1Cl	749102792	RFEDVVYNKBTBRB-UHFFFAOYSA-N	413.743	5.627	30	20	HKED	
C/C(=C\C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1OC(F)F	753232016	OZBHOTLIJBRRRN-CSKARUKUSA-N	417.296	5.035	30	20	HKED	
C=CCN(C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C)C(C)C	757768643	UZCQJQBCMHOOSP-CQSZACIVSA-N	422.392	5.548	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccccc1	758583593	GSRPECSSDSPYGB-UUOWRZLLSA-N	415.493	5.293	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl	759207209	QRBNHSUGDKOKGB-KRWDZBQOSA-N	420.852	5.102	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(C(C)(C)C)s1	759714842	WWHULFFFZQOOBG-ZDUSSCGKSA-N	405.614	5.423	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1	766840858	KNDDCOCHQKQRMY-PSMGESJCSA-N	414.427	5.068	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1	779712566	JIQBDAZJUSUPGT-LEWJYISDSA-N	413.521	5.007	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1	786529790	DCVUPUFAHIFKTI-RCLKMUNOSA-N	421.711	5.075	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	789450799	RAEDWWCWHRTCEV-PXNSSMCTSA-N	415.578	5.306	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1	791000735	PAOPYPNTSQSULW-UHFFFAOYSA-N	412.795	5.016	30	20	HKED	
CSc1ccccc1CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	791749648	JFIFRBLBXWJCJC-QFIPXVFZSA-N	401.535	5.728	30	20	HKED	
N#CC(CCOC(=O)[C@H]1CCC(=O)c2ccccc21)(c1ccccc1)c1ccccc1	792646497	PJSOMZZZMSSKMK-DEOSSOPVSA-N	409.485	5.190	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc1	801739998	XUVKISZVDDHFSC-XOIKFVNTSA-N	423.988	5.335	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	806254027	PFOXVCXMJNXMRE-UHFFFAOYSA-N	409.489	5.113	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCC(O)CC2)cc1)=C/c1cccc(C(F)(F)F)c1	806570991	BQOSMIIAJXHPRF-NRMJQJKCSA-N	415.455	5.509	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=S)Nc1ccccc1-c1ccccc1	809164278	PIXDOQBWGZVHBG-UHFFFAOYSA-N	401.535	5.071	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cc1	809785745	AGYMYRBYJAPVSW-SFHVURJKSA-N	407.514	5.129	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1	810263589	QLCYHOXQRFSHEU-PKTZIBPZSA-N	405.542	5.181	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2[N+](=O)[O-])S1	811626679	MKGUVNSBVKTKOX-VGOFMYFVSA-N	422.293	5.410	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1	814577784	RPZHGGBOLNRKII-DQEYMECFSA-N	407.517	6.101	30	20	HKED	
CCOc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	915101429	AXVMDTADLKKALI-FQEVSTJZSA-N	406.507	5.244	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cc3cccc(OC)c3o2)cc(Br)c1O	916130437	VOQXBAGEMQQBMO-BQYQJAHWSA-N	417.255	5.204	30	20	HKED	
COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3cccs3)cc2OC)cc1	916137331	VBYSMOIAYKAXRX-XFFZJAGNSA-N	408.475	5.018	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2csc3ccccc23)cc1	916648864	DEEYAIMUNRGNPE-QHCPKHFHSA-N	411.530	5.921	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1C(C)(C)C	916930884	HOULZFUBESQLPM-CYBMUJFWSA-N	421.328	5.029	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc4ccccc4c3)n2)cc1	920141518	PUBALHGBWBFDLO-NRFANRHFSA-N	409.470	5.090	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3coc(C(C)C)n3)CCC2)cc1	1789453362	XTVXJMWOJVEZQF-FQEVSTJZSA-N	421.541	5.314	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)C1	1823697554	AYCLDSBUPLIAHZ-LOSJGSFVSA-N	422.613	5.012	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccccc3-c3ccccc3C#N)o2)cc1	7107451	CUZNXPRYPQJDHO-KRWDZBQOSA-N	409.445	5.502	30	20	HKED	
CC[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1	15627186	OUFBOEXMRDYKFZ-OAQYLSRUSA-N	400.547	5.774	30	20	HKED	
O=C(Nc1ccc(F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F	24250655	NJDFMHIVDWLWHH-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
N#Cc1cccc(NC(=O)CCN2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1	25037501	DEZYWBFBXXCRMG-UHFFFAOYSA-N	424.957	5.030	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)s2)cs1)c1ccc(F)cc1F	58304168	ODGFNUOBRHFMNJ-HWKANZROSA-N	424.881	5.717	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1	58451789	XGNMNYWAVFUEGB-UHFFFAOYSA-N	419.504	5.273	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1	111183618	SCZJSOGKCAYHIO-UHFFFAOYSA-N	419.525	5.165	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1	303152030	NUOUOYFCRRKPDW-UHFFFAOYSA-N	406.441	5.554	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)C1CC1	303381118	MOLUKFBXNWJRDF-INIZCTEOSA-N	413.974	5.195	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	303568755	YARRARGVIULOIL-MOPGFXCFSA-N	405.404	5.074	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1	426069588	KXJLAQOLGGAOAK-FQEVSTJZSA-N	405.498	5.354	30	20	HKED	
C[C@H](NCc1cccc(F)c1C#N)c1nc(-c2ccc(Br)cc2)cs1	428360368	KVMAXJAIYZRNFB-LBPRGKRZSA-N	416.319	5.434	30	20	HKED	
CCCOc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	429725384	OZWPAIXMZKGRSN-AWEZNQCLSA-N	403.816	5.364	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CC(F)(c2cccc(Cl)c2)C1	432071847	MXHFSIMRIKSMKT-UAXOWTEWSA-N	417.937	5.883	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1	435287742	IMOXTGIWWOPZNW-DEOSSOPVSA-N	419.546	5.098	30	20	HKED	
C/C(=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1)c1nc(C)c(C#N)c(=O)[nH]1	435338423	DHBGNWOFKFYKIU-LUAWRHEFSA-N	401.413	5.258	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1F	437477981	RIZFUIOXKUHPHE-UHFFFAOYSA-N	405.410	5.458	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	437535708	MFZPWSCBSWMRPG-MISYRCLQSA-N	401.432	5.296	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)Nc1ccccc1S[C@H](C)CC#N	438053493	KRURSPPSEWVKBL-MRXNPFEDSA-N	413.612	6.675	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(-c4cccnc4)cc3)cc2)cc1	438228462	RCNLJSXSOIIONH-UHFFFAOYSA-N	420.472	5.734	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-]	439131315	DSDVEGGHSBJSFS-UHFFFAOYSA-N	422.828	5.176	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc([S@@](C)=O)c1)c1ccc(C(F)(F)F)cc1	442196083	CKARDBYYUYXTDI-XDBZFTIUSA-N	410.461	5.272	30	20	HKED	
N#Cc1ccccc1/C=C\c1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1	445362189	BRJPZWYREGZVRV-GDNBJRDFSA-N	422.444	5.085	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1ccc(C#N)cc1F	448112305	CVWNBBTZSQKQSG-LDADJPATSA-N	413.477	5.389	30	20	HKED	
Cc1cc(N(C)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)ccn1	464166460	AYSOEOQZMQMHMG-UHFFFAOYSA-N	420.538	5.005	30	20	HKED	
C[C@@H]1CCC[C@@H](n2c(SCCCSCC#N)nc3ccccc3c2=O)[C@@H]1C	466622351	CLIKTLBJXSXGCX-GPMSIDNRSA-N	401.601	5.133	30	20	HKED	
N#CCCn1cc(CNc2cccc(-c3ccc4c(c3)CCO4)n2)c(-c2ccccc2)n1	466642438	XJYCKDKPHMNXFY-UHFFFAOYSA-N	421.504	5.073	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1	467088629	CLLCMVZZRWQNSB-GOSISDBHSA-N	402.267	5.023	30	20	HKED	
CO[C@@H]1CCOc2c(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cccc21	468675168	WWBOXMCRCHUXRA-OAQYLSRUSA-N	416.502	5.432	30	20	HKED	
CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470550493	YDTSCAFTVOPEOC-NRFANRHFSA-N	410.562	5.092	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3cnc4ccccc4c3)cc2)c1	470874458	BIZSNKHGVRCPQO-UHFFFAOYSA-N	407.473	5.257	30	20	HKED	
N#CCC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1	475511990	MDPDVHAEBUDLFQ-UHFFFAOYSA-N	400.322	5.167	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1	475554121	QQGDWTYLWBTQMD-FQEVSTJZSA-N	421.585	5.081	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1	475561601	BZDIUDDOJLWHEA-MRXNPFEDSA-N	422.504	5.919	30	20	HKED	
CCn1c(SCCCCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12	475748834	MCFFGRAUJBMOIQ-UHFFFAOYSA-N	413.550	5.966	30	20	HKED	
COCCOc1c(Cl)cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1Cl	476596613	GWOUPQUAAZQHPF-UHFFFAOYSA-N	407.297	5.072	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C)nc1C	478839555	IDGLKTVJXAVSON-UHFFFAOYSA-N	400.935	5.001	30	20	HKED	
CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1	479496515	MHQKQWNOTDVSLB-UHFFFAOYSA-N	415.518	5.556	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1	479505201	RMJANVDIFRBFED-UHFFFAOYSA-N	412.514	5.345	30	20	HKED	
COc1cc(Cl)ccc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N	479628212	VIODHVYUMIZYFX-CQSZACIVSA-N	420.987	5.472	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(C)cc1	481369125	HFPORMUDKZWLFV-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
Cc1ccccc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481691275	WWHBEXRSXXTUGF-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
C[C@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)C(=O)Nc1ccccc1C#N	481697410	YITGGXCDIIHRAZ-LBPRGKRZSA-N	416.428	5.140	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1-c1c(F)cccc1F	482311818	JUSKBHSRDZLBEQ-UHFFFAOYSA-N	412.436	5.327	30	20	HKED	
Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)n[nH]1	482770669	XDMQWRXHJFNJFD-UHFFFAOYSA-N	423.476	5.199	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1nccc2ccccc12	483209113	YOAOIHLEGLDDJF-KRWDZBQOSA-N	406.363	6.004	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Sc3ccccc3C#N)cc2)n1	484565597	LOLWFHGPOLAQHA-SFHVURJKSA-N	403.532	5.779	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nsc4ccc(C)cc34)n2)cc1	497363398	KSYIYWNBHFGSTA-INIZCTEOSA-N	405.504	5.227	30	20	HKED	
CCc1sc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1Br	497368731	WJMNKIUBWRDMGM-LLVKDONJSA-N	418.341	5.082	30	20	HKED	
C=CCN(C(=O)c1ccc(C)c(OCC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	499171551	SUZSNCYHNIMMFX-UHFFFAOYSA-N	423.494	5.258	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1	499185651	XREHGMGUJCFGQN-WZONZLPQSA-N	422.573	5.080	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1OC	499849498	WBBDZHLPCLWXGB-QGZVFWFLSA-N	407.297	5.176	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1	505022349	CZJLMOVMNUUQFF-HXUWFJFHSA-N	402.441	5.012	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(CCC#N)CCC(C)C	505198689	XSLVTWWDQUKBCL-UHFFFAOYSA-N	417.962	5.364	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCCC(C)C	506252182	FOBFCAXKGHEYDC-GOSISDBHSA-N	423.557	5.804	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)cc1	507718812	PAVCORLYRPVNDR-MOPGFXCFSA-N	404.407	5.205	30	20	HKED	
COc1ccc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1OCCCC#N	507861839	SBBUWWBJGDAEGP-UHFFFAOYSA-N	401.510	5.148	30	20	HKED	
CN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1C#N	508091719	AFMRGKNYJUVGPJ-UHFFFAOYSA-N	402.306	5.194	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	511500817	VELPYSYLJBHJOD-UHFFFAOYSA-N	416.264	5.330	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2	512771174	RSKVDVDNBRKOLT-MRXNPFEDSA-N	417.534	5.438	30	20	HKED	
C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(Oc2ccc(C#N)cc2F)CC1	512796601	IRPBUFZCPGJTCH-AWEZNQCLSA-N	414.431	5.047	30	20	HKED	
COc1ccc(-c2nn(Cc3ccccc3)cc2CNc2ccc(CC#N)cc2)cc1	513605881	ZWZKFEKEVJTFLY-UHFFFAOYSA-N	408.505	5.285	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc2ccccc21	513682356	UEMHHFSKIXASNU-IBGZPJMESA-N	419.406	5.749	30	20	HKED	
CCc1cc(C#N)c(NC(=O)COc2ccc3ccccc3c2Br)s1	515710871	AZWBOVIMTGXTOY-UHFFFAOYSA-N	415.312	5.115	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccccc2COc2ccccc2)c(OC)c1	515741793	ICDVHXMYAMKTQY-UHFFFAOYSA-N	403.478	5.020	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CSCc2coc(-c3ccccc3)n2)cc1	518710218	RDKYMUQAXBPDKY-OAQYLSRUSA-N	419.550	5.253	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	518756699	GEKMTZHGTKEOTF-SJORKVTESA-N	413.612	6.464	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(N2CCCCC2)CCCCC1	519449978	QLZWBZRQGQTDET-LJQANCHMSA-N	414.619	5.249	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CCC#N)CC(CC)CC)c12	520524885	BFCZUUNUMIJLAW-UHFFFAOYSA-N	408.502	5.227	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(OC(F)F)cc1	520816094	JOEYZGITHCVBIG-CQSZACIVSA-N	422.522	5.554	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1-c1ccccc1	521726133	LYWTYIVBFYOHEV-SFHVURJKSA-N	402.519	5.765	30	20	HKED	
CCC[C@H](C#N)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1	522589732	LBSHPGYOQNBGHM-GFCCVEGCSA-N	421.353	5.183	30	20	HKED	
N#C[C@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1cccc(Cl)c1Cl	524572753	ROGSEQQGRSQMEX-HNNXBMFYSA-N	420.296	5.174	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)cc2F)c2ccccc2Cl)c(OC)c1	524673803	ZPTVFEJWZNPZDS-QHCPKHFHSA-N	410.876	5.247	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)s1	525051074	MVFCUOHUBJPLDM-INIZCTEOSA-N	405.523	5.511	30	20	HKED	
Cc1cc(C(=O)N2CCC(C#N)CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl	525493863	SGIBYQWQAHDXAL-OAHLLOKOSA-N	416.352	5.851	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	525503791	ZWUWSLMJWXASAP-MRVPVSSYSA-N	403.693	5.777	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc(-c2c(F)cccc2F)cs1	533927470	CJDUIQGMVVQKBL-AWEZNQCLSA-N	409.392	5.266	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1	535953468	JGPYARHCGJHPMI-UHFFFAOYSA-N	404.539	5.110	30	20	HKED	
C=CCC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C(F)(F)F)cc1	538232368	AVXSIODZBPHFQI-IBGZPJMESA-N	422.403	5.277	30	20	HKED	
N#C[C@@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1	538481986	ATJVLBZYLVNBLT-HNNXBMFYSA-N	405.866	5.609	30	20	HKED	
Cn1nc(C2CCCC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	542868319	NIUUMMNNQWMRRB-UHFFFAOYSA-N	402.523	5.353	30	20	HKED	
CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542937479	NHYLWGVMFYKGQU-QZTJIDSGSA-N	411.505	5.106	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	543514666	HUQCUUUULCALKH-CYBMUJFWSA-N	411.914	5.302	30	20	HKED	
N#Cc1cccc(C2(c3nc(Cc4nc(-c5c(F)cccc5F)cs4)no3)CC2)c1	545666868	FIMDFHIHKAQHJW-UHFFFAOYSA-N	420.444	5.014	30	20	HKED	
CCCCSc1ccc(Cl)cc1C(=O)N1CCC(C#N)(c2ccccn2)CC1	548838979	NMOXRCDJSIGSPG-UHFFFAOYSA-N	413.974	5.325	30	20	HKED	
Cc1c(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)sc2ccc(C#N)cc12	549946649	BCZYFJDAGOESSO-UHFFFAOYSA-N	401.447	5.179	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	552956517	BZTOCGAMXJYDTL-HXUWFJFHSA-N	413.468	5.868	30	20	HKED	
CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	558803092	MOBZHMBOVGYRFO-INIZCTEOSA-N	415.449	5.023	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	564185222	OIKVDHFXIRHVFV-AWEZNQCLSA-N	407.804	5.367	30	20	HKED	
N#CCCCCCC(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	588154826	UQGHGRJGKLDSEG-UHFFFAOYSA-N	420.944	5.325	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)sc1-c1ccc(F)cc1	592973358	DWMLVIIDJXETGI-OAHLLOKOSA-N	410.470	6.102	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc2cc(F)ccc2s1	592973803	HSSXAENBJBKIQY-ZDUSSCGKSA-N	413.886	5.702	30	20	HKED	
Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C#N)cc1	603927196	ZOMMIRHACLXUDG-UHFFFAOYSA-N	410.315	5.152	30	20	HKED	
CCn1c(S[C@H](C#N)Cc2ccccc2)nc2scc(-c3cccs3)c2c1=O	604057323	CKPHSQACSHXRHN-HNNXBMFYSA-N	423.588	5.433	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1	604803940	DJTVTEWBBQLZLC-UHFFFAOYSA-N	421.541	5.434	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc(Sc2ccccc2Cl)nn1	607719964	YMVAMUJFEMCHPS-UHFFFAOYSA-N	413.905	5.249	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C2CCCCC2)n1	608847819	HEMLBVLKILEPEG-UHFFFAOYSA-N	400.482	5.384	30	20	HKED	
COc1ccc2oc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c(C)c2c1	609064401	SXVCTZQTXPIZOY-UHFFFAOYSA-N	412.445	5.453	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc2ccccc2c1	609388157	NTJHLZFYSXTHOH-KRWDZBQOSA-N	406.576	5.963	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1c[nH]c2cc(Cl)ccc12	609398829	VJNUNBDGFNLCLV-AWEZNQCLSA-N	412.946	5.437	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCCSc4ccccc43)c2)cc1	609641037	IEFHDQGICJSPFX-UHFFFAOYSA-N	400.503	5.280	30	20	HKED	
C[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc2O1	609724597	CUICNJRVKVGLBT-HNNXBMFYSA-N	404.853	5.432	30	20	HKED	
C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	609813569	LRFKZTZSSVAWSO-INIZCTEOSA-N	423.973	5.241	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3CCC(F)(F)F)cn2)c1	611145059	FUSVDQNGBJACOW-UHFFFAOYSA-N	411.383	5.493	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccc(C)o4)nc3C)n2)cc1	613318922	INEUGVUGNLAQTM-INIZCTEOSA-N	419.531	5.942	30	20	HKED	
N#C[C@]1(F)CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)C1	615529635	PUMUVDSQAYQDHZ-GOSISDBHSA-N	411.330	5.106	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCC1	618295328	LQAKMDVVJVHDHB-OKILXGFUSA-N	411.361	5.227	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)o1)c1nc2cc(C(F)(F)F)ccc2s1	642282009	BYFVEPSVDZHMCE-QMMMGPOBSA-N	415.190	5.161	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccccn2)ccc1Cl	672239303	UOJQYPQNRBQRIQ-UHFFFAOYSA-N	408.933	5.398	30	20	HKED	
C#CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1	726626708	KDBPMBDVGIUZSV-ODLFYWEKSA-N	424.934	5.020	30	20	HKED	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCCCCC#N	728958190	WCUVBMLZHHGKBO-IBGZPJMESA-N	418.463	5.175	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1	730994279	ISMJSORXQQWUHJ-JQPIKURYSA-N	407.926	5.792	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1	731061114	BGEHVSRAUBSATH-LBPRGKRZSA-N	423.321	5.041	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1	732418988	XLDCUTQUVNWULJ-ZJSXRUAMSA-N	415.924	6.017	30	20	HKED	
N#C[C@@H](C(=O)/C=C/C1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	732707643	CKMJAIMFCPVFDJ-AWXVTKJVSA-N	407.322	5.276	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1)c1ccncc1	734654533	AJLHSEDCXHHXET-GMAHTHKFSA-N	405.567	5.973	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc(Br)cc1)C(C)C)c1ccncc1	734683731	PNYQAFXYSZEFAL-IBGZPJMESA-N	402.336	5.082	30	20	HKED	
C=CCCCSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	735414990	PDBPMVICKOPOAX-LGMDPLHJSA-N	418.971	5.853	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1	737322879	NCQUVOOVJNPNMC-AWEZNQCLSA-N	422.859	6.123	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	737502909	KALRWCRCYKEJTE-OAQYLSRUSA-N	411.436	5.697	30	20	HKED	
CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccc(SC(F)F)cc1	741813814	YJZAOSAAKGSDGN-UHFFFAOYSA-N	411.481	5.178	30	20	HKED	
CSc1cccc([C@H](NCc2ccc(OCC#N)cc2)c2cc(F)ccc2F)c1	742263592	RPBZVUUBACUQSR-QHCPKHFHSA-N	410.489	5.468	30	20	HKED	
C#CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1	742696284	QYUPPHOWRYRBLU-JOCHJYFZSA-N	414.505	5.454	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC4(CCCC4)C3)cc2Cl)c1	743139371	KNFRKQWPNGIASK-UHFFFAOYSA-N	409.917	5.589	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(C3CCCC3)nc2C)cc1	744027955	FNTOGQDXKFURLL-IBGZPJMESA-N	409.555	5.413	30	20	HKED	
Cc1cc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)sc1-c1ccc(F)cc1	744920166	JPRHNBHSAABKHB-UHFFFAOYSA-N	419.437	5.141	30	20	HKED	
CCOc1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	745723511	AAUXIUIECUELNR-UHFFFAOYSA-N	419.525	5.808	30	20	HKED	
O=C(/C(=C\c1cccc(C(F)(F)F)c1)c1nc2ccccc2oc1=O)c1ccccc1	746958082	IDEFXGLXFWGLPP-JXAWBTAJSA-N	421.374	5.630	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(CC(C)C)cc1	752477023	JUIFUBCRNKWXBM-HSZRJFAPSA-N	404.554	5.290	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cc([N+](=O)[O-])ccc1F	752880898	ILPUIAQUIGJOCB-FLIBITNWSA-N	424.815	5.536	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)[nH]c12	754534339	GTZGYBKCKCCPNA-CQSZACIVSA-N	414.292	5.408	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Oc2ccc(-c3c(C)noc3C)cc2)cc1OC	759908545	BCCBWQZWQNQIAG-QPEQYQDCSA-N	405.450	5.151	30	20	HKED	
COc1cc(F)c(C(=O)/C=C\c2cccc(OCc3cccc(C#N)c3)c2)cc1OC	760270650	RYZOARZSXJGVNI-KTKRTIGZSA-N	417.436	5.190	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3ccccc3SC3CCCC3)CCO2)c1	761838591	MIFYVBZNBNPKRM-OAQYLSRUSA-N	407.539	5.198	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(Cl)c2F)cc1Cl	766800601	PNLWEQZAQXUGJE-MRXNPFEDSA-N	400.240	5.435	30	20	HKED	
O=C(/C=C\c1cccc(-c2cccnc2)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	768490736	RDPWVZYEAHOOLX-GDNBJRDFSA-N	417.530	5.361	30	20	HKED	
COc1cc(F)c(C(=O)/C=C/c2ccc3ccc(Br)cc3n2)cc1OC	771523504	ATDJFOFFIJZHPS-BQYQJAHWSA-N	416.246	5.050	30	20	HKED	
Fc1ccc(C2OCCO2)c(Cl)c1C=NOCc1ccc(C(F)(F)F)cc1	792735481	XMNYBCIOHQDPHD-UHFFFAOYSA-N	403.759	5.094	30	20	HKED	
O=C(OCc1ccccc1)N1CCC(C=NOc2ccccc2C(F)(F)F)CC1	797401189	DUIHYPXFQFIYAK-UHFFFAOYSA-N	406.404	5.119	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)cc1)C2	801685227	JBBLNQMPYOLKTJ-ZOBUZTSGSA-N	407.370	5.348	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	807847202	PKPMMGAYPAYPMQ-UHFFFAOYSA-N	409.580	5.648	30	20	HKED	
C#C[C@H](NC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C)c1ccc(F)cc1	812939165	UUQGFWYBGXNXEF-UZLBHIALSA-N	407.514	5.335	30	20	HKED	
CC(C)CN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1	914510675	TYEVAVHMDGHKFM-UHFFFAOYSA-N	407.514	5.137	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	916679932	BXFNJJOLWJKNBC-ZHRRBRCNSA-N	400.438	5.133	30	20	HKED	
CCO[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	920324730	SYDDFOQUQYZNCG-RDTXWAMCSA-N	404.413	5.269	30	20	HKED	
COc1cccc(C=Nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)c1O	920943027	OXYCJEVTOKHYIY-UHFFFAOYSA-N	422.440	5.105	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cc2ccccc2c(O)n1	1583150660	YPNOOLIVYUVPBA-UHFFFAOYSA-N	409.445	5.094	30	20	HKED	
N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@@H]54)cc3)CCC2)CC1	1789191001	VVPAMNOJRCJDJU-BVYCBKJFSA-N	419.569	5.031	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC(C)(C)C2)CC1	1831929951	AMQKCABKMODLIK-OAQYLSRUSA-N	402.623	5.035	30	20	HKED	
N#Cc1ccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c(F)c1	12272680	JRFOGAULVKVMSC-UHFFFAOYSA-N	419.239	5.335	30	20	HKED	
Cc1sc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c(C#N)c1C	14595930	WQUXGXHOYDFPST-UHFFFAOYSA-N	406.536	5.257	30	20	HKED	
COc1ccc2c(c1)/C(=N/Nc1ncnc3scc(-c4ccc(C)cc4)c13)C(O)=N2	19331320	FGNQJTMTIWJSMQ-UHFFFAOYSA-N	415.478	5.093	30	20	HKED	
C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)s1	22347080	INWNOTSZAMJJSR-AWEZNQCLSA-N	412.540	5.048	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1	24707463	BTWNSOYQRVVVBZ-OAQYLSRUSA-N	414.534	5.430	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1C	25839129	VYZCMJJWKAYQHQ-UHFFFAOYSA-N	404.539	5.021	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	45499798	IHYILMVVSTUZBP-HNNXBMFYSA-N	409.942	5.487	30	20	HKED	
CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc(C#N)c1	63325165	FIEYBGIJGJTDQS-UHFFFAOYSA-N	420.856	5.009	30	20	HKED	
Cc1cc(C(=O)N(CCC#N)Cc2cccnc2)c(C)n1-c1cccc(C(C)C)c1	116351458	YPGHIBYBHCONGE-UHFFFAOYSA-N	400.526	5.169	30	20	HKED	
N#C[C@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc2cc(Cl)ccc2s1	195664313	GFSBAAZIGPITGG-CQSZACIVSA-N	409.923	5.487	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)nc3O)cc2)c1	303332475	JXOBMNKXBJOYQS-UHFFFAOYSA-N	407.429	5.370	30	20	HKED	
N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)nc1	409750213	IMAMDGKHAGLUTI-UHFFFAOYSA-N	419.893	5.897	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(C#N)c1C	432840616	MZWWZOUOJONNQX-UHFFFAOYSA-N	409.898	5.395	30	20	HKED	
CN(C)[C@H]1CCOc2c(NCc3cccc(OCc4ccccc4C#N)c3)cccc21	433178278	FOCYXCNAZUJSLH-VWLOTQADSA-N	413.521	5.135	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	438159502	SRRDRDLCPIWCPH-FYYLOGMGSA-N	413.525	5.435	30	20	HKED	
CCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](C)Cc1ccc(OC)cc1	438633051	FPOOXXNGQXBGSI-AWEZNQCLSA-N	405.420	5.071	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@H](CCC#N)c1ccccc1	439383649	GZCJSZOWHFJQJR-OAQYLSRUSA-N	415.541	5.645	30	20	HKED	
COc1cc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)ccc1C#N	440824505	HDTLIUIZSWHGCZ-UHFFFAOYSA-N	413.399	5.063	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccco4)C3)cc2Cl)cc1	441218896	URGHYRCPYGJTSR-NRFANRHFSA-N	423.856	5.202	30	20	HKED	
N#C[C@H](C(=O)c1ccncc1Oc1ccccc1)c1nc2ccccc2n1C(F)F	442520477	FCPLCSADJBLDOC-MRXNPFEDSA-N	404.376	5.109	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCCC1(C)C	444898679	PDCWLFNWFQJPPQ-PZGXJGMVSA-N	410.583	5.593	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2c[nH]nc2-c2nccs2)c1	446605871	SFTZQIPWECQVEH-UHFFFAOYSA-N	421.869	5.103	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)c1cccc(Cl)c1	460164150	LXUOKAKACLQHGR-KRWDZBQOSA-N	404.897	5.841	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1	462047330	ZVRUBYSIBWWKDP-HXUWFJFHSA-N	423.340	5.318	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	463205556	VIAJYTGKLQUYNG-QGZVFWFLSA-N	411.571	5.533	30	20	HKED	
CSc1cccc([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2cc(F)ccc2F)c1	464141020	WYDMQMWELTVYAC-XMMPIXPASA-N	422.500	5.397	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1cccc(C)c1	464467730	OCJIBPYHEXURPB-KRWDZBQOSA-N	412.415	5.037	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1	468814458	CTPLUDWXUPVMKY-UHFFFAOYSA-N	415.280	5.687	30	20	HKED	
COc1ccccc1-c1nc(COc2ccc(Br)cc2C#N)cs1	468836185	GOLZSKODXHDSCP-UHFFFAOYSA-N	401.285	5.032	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCc4c3sc3ccccc43)ccc21	469359145	VKBOKJFWPZRLJQ-OAQYLSRUSA-N	415.562	5.974	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469752338	MMFMDMWUIYPTMC-KRWDZBQOSA-N	421.381	5.393	30	20	HKED	
Cc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1Br	470362310	JBDJJVJPFZBJNC-AWEZNQCLSA-N	418.360	5.474	30	20	HKED	
Cc1ccc(-c2cnc(NC(=O)CCCC(=O)Nc3ccccc3C#N)s2)c(C)c1	470620004	FVHBDDURDSHEAJ-UHFFFAOYSA-N	418.522	5.046	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(COC(C)(C)C)on1	471777773	BOAFWHLFMCJANG-UHFFFAOYSA-N	419.481	5.001	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@H](c3cccs3)C2)c1	473173409	YUPQXCQRFAFYOI-FQEVSTJZSA-N	424.909	5.279	30	20	HKED	
Cc1cc(F)c(Br)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	474958146	ZLWVHATTYRHELT-UHFFFAOYSA-N	414.278	5.090	30	20	HKED	
C=CCCC1(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)CC1	475020137	YACBFWGUGXGOBO-UHFFFAOYSA-N	416.880	5.425	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCC(C(F)(F)F)CC1	475200791	BWYIUJUUGUPJIQ-KLHKWILBSA-N	407.480	5.439	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(F)c3)o2)nnc1-c1ccccc1OC	476471950	MIIVOUWDCZJZRG-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
O=C(CCC(=O)c1ccc(F)cc1F)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	477632515	OBJDFDXECHVERN-UHFFFAOYSA-N	423.284	5.187	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1nccc2ccccc12	483221318	ZAPIKVLFQHTCRL-OAQYLSRUSA-N	408.457	5.916	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1	483709218	ITBLIMSYBKJBAW-UHFFFAOYSA-N	406.873	5.321	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(C)CCN(Cc2ccccc2)CC1	484523968	GHTIZOCJHFBWGH-LJQANCHMSA-N	407.583	5.179	30	20	HKED	
COCCOc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	484550802	YLJFHDMSZPQYSC-CQSZACIVSA-N	421.305	5.118	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2cc(OC)ccc2F)CC1	484652099	LKIOTZFWAICDNW-UHFFFAOYSA-N	411.521	5.040	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3c(F)cccc3Br)c2)cc1	487315479	GRQNMGUQGUQONC-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc(Cl)cc(F)c1Br)c1ccccc1	487547053	XGGJLPAMNDTBSV-MRXNPFEDSA-N	409.686	5.407	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cccc2[nH]ccc12	494753900	RZZGUZQOGSSMIJ-UHFFFAOYSA-N	424.504	5.591	30	20	HKED	
COc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(OC)c1C(C)C	495335392	GHLRWQYKOOTPBU-WOJBJXKFSA-N	407.514	5.131	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccc(OCCC)cc2)n1	499053616	IUZFBJDZYRLVTJ-UHFFFAOYSA-N	417.534	5.299	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)N(Cc1ccncc1)Cc1cccnc1	502329097	YBYDMIHICNLNSC-UHFFFAOYSA-N	418.500	5.111	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(Br)c(F)c1	503017101	SHMQUEWAXLDTKG-GFCCVEGCSA-N	407.308	5.164	30	20	HKED	
N#CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2	503636793	XJQMKZKOOHRMOQ-KAMYIIQDSA-N	408.288	5.282	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cccc1Oc1ccccc1	504150803	ZNCRVCCHAXVMEH-UHFFFAOYSA-N	419.456	5.170	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	505180037	PHCIDQKNFVYLDG-UHFFFAOYSA-N	405.420	5.295	30	20	HKED	
N#C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1cccc(Cl)c1Cl	505302792	ZJBVMVIELXQCHK-OAHLLOKOSA-N	404.322	5.307	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)ccc2c1	505982810	VOFJJSBIMSHEJR-LHSJRXKWSA-N	412.411	5.352	30	20	HKED	
N#C[C@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1ccc(Cl)c(Cl)c1	505989699	BLULFYVKNRFHNK-SFHVURJKSA-N	423.727	5.076	30	20	HKED	
Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)c1	506359382	PIKJTVIWAURWLA-DEOSSOPVSA-N	407.464	5.104	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCOc3c(F)cccc32)cc1	507554427	RKKXYNHKPKMYBK-OAQYLSRUSA-N	418.493	5.243	30	20	HKED	
N#CC1(c2ccccc2)CCC(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1	507658603	HHYKUYWIQCJMOR-AYIJWJHJSA-N	409.533	5.360	30	20	HKED	
C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C)(C#N)CC1	508866557	LMTLWCOTTZXPJR-KRWDZBQOSA-N	413.953	5.004	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1	509612595	ZCKFRRSFFLQVOP-MRXNPFEDSA-N	408.951	5.268	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)cc1Cl	510056961	QRAFNAJNRAUPTN-IRLDBZIGSA-N	422.960	5.088	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	510694320	XFQZBVIGLGTKGS-QGZVFWFLSA-N	401.466	5.550	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511546986	RRZQCWBYIBLRGX-AABGKKOBSA-N	419.422	5.301	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)nc2ccccc21	513676794	KTRBYKKHOYSXHY-NRFANRHFSA-N	421.456	5.389	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3sccc3Br)c2C#N)C1	514561656	RYWIHDNUQQLZFH-SNVBAGLBSA-N	423.401	5.847	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc2cc(Cl)ccc2s1	515539554	XEMILEVBSHBTHH-AWEZNQCLSA-N	422.918	6.061	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	519433852	FYFRSVDGNNFPIA-ZDUSSCGKSA-N	410.436	5.668	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCc4cc(F)cc(F)c43)cc2)cc1	520324304	NHWMJBRNNXAKMF-UHFFFAOYSA-N	404.416	5.416	30	20	HKED	
CC(C)(C)CN(CCCO)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	520745263	ZTWLLTCFNSWOPF-UHFFFAOYSA-N	415.921	5.266	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)CC1	521009218	CUBVZMUYNKPFQB-SANMLTNESA-N	413.565	5.269	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	521326637	AQGYEIGLFABAOO-UONOGXRCSA-N	401.513	5.108	30	20	HKED	
C=CCn1c(SCCc2cccnc2)nc2scc(-c3ccccc3)c2c1=O	522964925	XATRWPQSHCMCQG-UHFFFAOYSA-N	405.548	5.041	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3NCC(F)(F)F)c2)cc1	523121598	IHSHXGWRDWLIOI-UHFFFAOYSA-N	410.399	5.528	30	20	HKED	
CC(C)(C#N)c1ccccc1CNC1(c2cccc(Br)c2)CCOCC1	533348798	LDMFMYXSHAUWEW-UHFFFAOYSA-N	413.359	5.046	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1csc([C@H]2CCCO2)n1	534421440	PHMQTWZYHANTGA-OAQYLSRUSA-N	421.497	5.161	30	20	HKED	
COc1cc(CN[C@@H](C)c2c(F)cccc2F)ccc1OCc1cccc(C#N)c1	538125306	UGOBZQWJTJKQGJ-INIZCTEOSA-N	408.448	5.275	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C	539586403	HTJXPXIBPUIKRG-AWEZNQCLSA-N	414.481	5.444	30	20	HKED	
C[C@H](NCc1ccc(OCc2ccccn2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	541088358	MEHLMHMSGHJVKW-NRFANRHFSA-N	419.528	6.050	30	20	HKED	
N#Cc1ccc(CN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)C2CC2)cc1	541367562	PPEOGHWVWHHKFF-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc([N+](=O)[O-])cc1F	541623706	FYHWXPWJGAEVNS-AWEZNQCLSA-N	405.385	5.140	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542967337	UZEUUFYITDPKHP-GOSISDBHSA-N	421.500	5.609	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@H](C)C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1	543685273	UVTSEEFLDNFPEJ-UZLBHIALSA-N	411.512	5.084	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	544534132	HSGJNSMBWGZKJG-MRXNPFEDSA-N	420.538	5.022	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCCOc1ccc(Cl)cc1	553403975	JJFUXBZLGHRUFC-INIZCTEOSA-N	417.962	5.572	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@@H](C)c1ccc(C(F)(F)F)cc1	554874099	OVQMTCWQVGLDPJ-CYBMUJFWSA-N	404.819	5.658	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)c2c(C(C)C)noc2n1	560970161	YHZOJYQAWLRVEU-UHFFFAOYSA-N	410.477	5.373	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(Br)c1Cl	561237745	JFLNNQCFUDJUSR-UHFFFAOYSA-N	410.743	5.098	30	20	HKED	
COc1ccc(CNc2ccc(Oc3ccc(F)cc3)nc2)cc1OCCCC#N	561971639	IHWWRHWFVYGUSI-UHFFFAOYSA-N	407.445	5.316	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3ccc(Oc4ccnc(C#N)c4)cc3)o2)cc1C	562232279	KJAIUPQJDHEFOW-KRWDZBQOSA-N	411.465	5.586	30	20	HKED	
Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	564432963	TVMACSQPBMBVIG-SFHVURJKSA-N	400.482	5.149	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)s1	586776450	BIHLIYNFDYNBKL-UHFFFAOYSA-N	424.391	6.044	30	20	HKED	
Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C2CCCCC2)n1	588736866	CENHAGQYLATUDR-QGZVFWFLSA-N	424.957	5.735	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc2cc(F)ccc2s1	592974364	VLWYVTVRMNLSAX-INIZCTEOSA-N	404.491	5.753	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cn2)c1	603626545	AQVJJOKXIJXWQX-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OC(F)F)cc1	603689127	AADLLGISZJAKAI-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCOCc2ccccc2)cc1Cl	604113126	SUROWNZDAMHOOR-JOCHJYFZSA-N	404.897	5.541	30	20	HKED	
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1Cc2ccccc2-c2ccccc2C1	608788780	AKCBIPBSOAKJND-IBGZPJMESA-N	413.496	5.144	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl	609431623	QXBQZLOYBDTSCI-NSHDSACASA-N	421.374	6.855	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(F)cc2C(F)(F)F)c1	609432888	ZAONWULIWXZNKH-UHFFFAOYSA-N	414.402	5.585	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1	609438555	KCGUBQJNSFWPHE-PBHICJAKSA-N	407.461	5.896	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(Br)c1	609642906	IVAFTRJKGFXIKJ-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(/C=C/c4ccccc4)cs3)cc2)nc1	609756964	ASXUJLSZMVJBBA-UXBLZVDNSA-N	424.485	5.625	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609981567	MWNMPJAEXGAEQN-OAQYLSRUSA-N	405.885	5.622	30	20	HKED	
CN(C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1)C1(C#N)CCC1	610196002	DZLQAODOTKVBKQ-UHFFFAOYSA-N	405.350	5.804	30	20	HKED	
Cc1c(Br)cccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610290517	WGHFUBSIOXMEFZ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F	611186003	CDHADNHOTIKHHJ-UHFFFAOYSA-N	415.490	6.006	30	20	HKED	
N#C[C@@]1(F)CCN(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)C1	615561290	XNJHCOTWQNMEPF-IBGZPJMESA-N	416.865	5.211	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)cc1	619342934	LUXWBKHENQYYHK-JOCHJYFZSA-N	403.526	5.116	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CSc2nc(C)c(C)n2CC(C)C)ccc1Cl	619849421	CCUBYUZRLGXNIT-UHFFFAOYSA-N	418.994	5.157	30	20	HKED	
CC[C@@H](C)Oc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1	679092369	RLZQGSJNJHORQB-RISCZKNCSA-N	419.428	5.377	30	20	HKED	
C=CCCOCc1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1	680789810	HXUUEJNDDROEPL-UHFFFAOYSA-N	416.275	5.088	30	20	HKED	
CC(F)(F)c1cccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	682055550	QCOAOFHKKQQFMH-GHMZBOCLSA-N	404.301	5.393	30	20	HKED	
COc1ccc(/C=C(\Cl)c2nc3cc(Cl)ccc3n2C)cc1OCCCC#N	728440092	IPQSHOFNCAXTGP-WJDWOHSUSA-N	416.308	5.655	30	20	HKED	
CN(Cc1ccc(OCC#N)cc1)Cc1cn(-c2ccccc2)nc1-c1cccs1	731210397	KFLYCQFZGDWJGA-UHFFFAOYSA-N	414.534	5.135	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	731399401	ALAOYRJYYRZKPA-LJQANCHMSA-N	422.598	5.735	30	20	HKED	
CCN(C(=O)/C=C/c1ccccc1C#N)[C@H](c1cccnc1)c1csc2ccccc12	732569918	AFIKGMZCLNYQFO-JBXKERDYSA-N	423.541	5.819	30	20	HKED	
Cn1nc(-c2ccccc2)c(C=NNc2ccc(F)cc2Br)c1Cl	734747049	WAIRXLAVMIOXMX-UHFFFAOYSA-N	407.674	5.088	30	20	HKED	
CN(C)c1ccc(N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	735010569	UXXVYLZMPYMJGT-UHFFFAOYSA-N	405.885	5.347	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	735575501	RBUWZYAJRNUDSG-UHFFFAOYSA-N	424.476	5.264	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)c1	739023333	MSLBRZDCTHFKML-BPUDTRNYSA-N	405.542	5.359	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C\c2c(Cl)ccc(Cl)c2Cl)cc1F	741847545	PENZBICOAQPVCR-UTCJRWHESA-N	407.677	5.086	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)CCN2c3ccccc3Sc3ccccc32)c1	742732751	AZSLDGXFKNXHJV-UHFFFAOYSA-N	403.482	5.007	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2ccccc2C(F)(F)F)cc1	744033039	LNZSIYVXHSHDTB-QMTMVMCOSA-N	416.443	5.670	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	744116559	RQELDPCSKBDSON-CTNGQTDRSA-N	414.505	6.028	30	20	HKED	
CC/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(C)cc1	745125437	ITIVKHLAIFKZGA-CMAIMYMYSA-N	422.550	5.365	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COC(C)(C)C)c2C)c1	747573189	AMOWMKNRUMIYBZ-FQEVSTJZSA-N	409.530	5.313	30	20	HKED	
COCCCOc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	750989047	HIFYOYGGJMFULV-DEOSSOPVSA-N	415.493	5.401	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(-c3ccncc3)cc2F)S1	751526098	ZCSARQAQUCHMAF-DEDYPNTBSA-N	403.482	5.396	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1	756227126	OQRIDPQUAZVUIB-IBGZPJMESA-N	416.477	5.858	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)o2)cc1C	758468399	ZWGMTIHAXKZTHE-LJQANCHMSA-N	424.504	5.977	30	20	HKED	
N#CCc1ccccc1Cc1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1	761725472	BUOLDSDYJQJWIK-UHFFFAOYSA-N	402.841	5.234	30	20	HKED	
C=CCc1cc(OCC)ccc1OC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1	762064755	OXIWQTYBUSYSBT-UHFFFAOYSA-N	412.873	5.055	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1	765351379	RJJDWDKDUNLEKU-IAGOWNOFSA-N	400.906	5.186	30	20	HKED	
COCCn1nc(C)c(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C	765611784	AIPFIPHCGNXGOD-PLNGDYQASA-N	420.353	5.080	30	20	HKED	
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	766028180	VDIPPQXRGQOAAP-QMHKHESXSA-N	419.456	5.123	30	20	HKED	
Cc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(O[C@@H](C)C#N)cc2)c1	769545927	SBOLPUJKBHJVRL-LVXARBLLSA-N	400.522	5.022	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1	772608700	IISWQIHOGYWQJF-HSZRJFAPSA-N	422.887	5.003	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(OC)cc1	776085202	YYUZQXFCNDQTFZ-JKSUJKDBSA-N	412.461	5.467	30	20	HKED	
C[C@H](N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccc(OCC#N)cc1	776159262	ITMLXRQBYVNYSF-SBUREZEXSA-N	421.338	5.792	30	20	HKED	
COc1cc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)ccc1OCc1ccccc1	776159396	WGTHKPSAOSSYAY-PMACEKPBSA-N	416.521	5.588	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F	776960010	XLZHMUMUFROXRT-UHFFFAOYSA-N	414.399	5.310	30	20	HKED	
N#Cc1cc(N[C@H](CCc2ccccc2)c2ccccc2)ccc1N1CCC(O)CC1	777113971	GCOUKPHSYWCFFE-AREMUKBSSA-N	411.549	5.305	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc(F)c(Cl)cc1Cl	777114252	HRLSOCUYPSHMSJ-LBPRGKRZSA-N	408.304	5.138	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	779058503	ADLJTQUROBNCMG-KRWDZBQOSA-N	413.518	5.128	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccccc3O[C@H](C)C#N)oc2c1	780147564	HTSMXYBVMHETDZ-MRXNPFEDSA-N	412.445	5.652	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1O[C@H](C)C#N	780681753	PANJDFGKSQPQJG-YLJYHZDGSA-N	405.523	5.453	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	791843276	QTXAICBYNPBSMX-UHFFFAOYSA-N	409.530	5.952	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1	796798978	OTHSZVOLMNYSPC-INMHGKMJSA-N	416.399	5.105	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(Cl)cc(Cl)c2[N+](=O)[O-])S1	811626678	MKGUVNSBVKTKOX-AUWJEWJLSA-N	422.293	5.410	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccnc1Cl	814729212	GJNKLHZYFMHZQK-UHFFFAOYSA-N	415.305	5.017	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccnc2)ccc1OCc1cccc(C(F)(F)F)c1	916137282	RODOKIXGPOHAQO-CLFYSBASSA-N	413.395	5.584	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2ccccc2c1Cl	916898283	AKKQVERDKOENIO-MRXNPFEDSA-N	410.926	5.641	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1	916899120	OCABWFPJXFPGED-WFASDCNBSA-N	407.322	5.130	30	20	HKED	
CC(C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917042502	FOWAUAAYPRUNJT-OAHLLOKOSA-N	418.440	5.694	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc(Cl)cc2Cl)cs1	917539554	AWMDJXBLYIZBEU-UHFFFAOYSA-N	419.337	5.889	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3c(C)cc(C)cc3C2=O)cs1	920069535	SFPBXFZMOFFZOT-MHWRWJLKSA-N	422.481	5.242	30	20	HKED	
CC(=O)N(c1nc(/C=C2/C(=O)c3ccccc3C2(C)C)cs1)c1ccc(F)cc1F	920070668	ZNEAWWHVKHMZPQ-WQRHYEAKSA-N	424.472	5.663	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(CC)noc3C)CCC2)cc1	1789626248	GRSSSCUTFFVORH-UHFFFAOYSA-N	423.557	5.286	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3C)cc2)CCC1	1789965168	UNYKEQXTJYVZRG-QFIPXVFZSA-N	417.553	5.215	30	20	HKED	
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1cccc(C#N)c1	5219840	FKLZTKYFCUXYNL-AWEZNQCLSA-N	406.511	5.025	30	20	HKED	
N#Cc1ccccc1CSc1nnc(Cc2cccs2)n1CCc1ccccc1	5221567	XBKYMJQXNZWLOM-UHFFFAOYSA-N	416.575	5.337	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccs2)ccc1OCC(=O)N(C(C)C)C(C)C	16406481	JUEOLMAJKSWECM-PKNBQFBNSA-N	415.555	5.067	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc2ccccc2n1C(F)F	41557746	OAJQDLXCKBMKDM-LJQANCHMSA-N	417.415	5.500	30	20	HKED	
C[C@@H](CCc1ccco1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	43725472	JPBBGAINLRTSTO-SFHVURJKSA-N	403.482	5.067	30	20	HKED	
CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OCC	60477369	DLINHMOJZAFKLL-SFHVURJKSA-N	406.507	5.406	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1	65622143	NJXQRLPJZVMAFK-QFIPXVFZSA-N	400.503	5.104	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)nc(C)n1	65650344	WEVJIPXBZNDLAX-ZDUSSCGKSA-N	403.294	5.014	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	72085083	IRGGMEXDTJQIGE-UHFFFAOYSA-N	419.912	5.064	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCc1ccccc1	117231702	JMHNHLPITPSTEE-KPKJPENVSA-N	413.473	5.055	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2-n2cccn2)cc1Cl	117249688	JIZLGMJXDIYXGL-NRFANRHFSA-N	412.880	5.433	30	20	HKED	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cccc(C#N)c1C	432255254	BARHESMESIRWRO-UHFFFAOYSA-N	409.877	5.014	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3cccc(C#N)c3C)c2)c1	432293877	MZCKCIRUSWXLOW-UHFFFAOYSA-N	413.481	5.141	30	20	HKED	
N#CCCn1cc(CNCC2(Sc3ccccc3)CCCC2)c(-c2ccncc2)n1	433313082	OTIGLXQFPQLNPL-UHFFFAOYSA-N	417.582	5.053	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1	438416311	OOASSWDLYWAGGX-XUTJKUGGSA-N	415.459	5.443	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	438831700	ABKQYYAXTLURPH-UHFFFAOYSA-N	415.346	5.464	30	20	HKED	
C[C@@H](NCC1(c2cccs2)CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1	439602471	RFPBSMDSIGTTOP-GOSISDBHSA-N	413.562	5.014	30	20	HKED	
CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](c1ccccc1)c1ccc(F)cc1	440315180	KKZBVGBLDYAMBJ-XMMPIXPASA-N	412.468	5.359	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1C	441296879	OAOXFWIQYXKNLT-LBPRGKRZSA-N	417.250	5.141	30	20	HKED	
CCCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCCc2cccnc21	442054522	KECMCYKQVWCORL-QGZVFWFLSA-N	418.419	5.173	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(F)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	442227236	RXMGKBZCPLYDMA-SFHVURJKSA-N	423.410	5.632	30	20	HKED	
COc1ccc2occ(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1	442519765	SOHXTUUKAIYSIO-INIZCTEOSA-N	408.866	5.708	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC(C(F)F)CC1	444029730	IMAYGUDZXXAZHC-ZDUSSCGKSA-N	418.328	5.386	30	20	HKED	
FC(F)Oc1ccccc1CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444737313	BLYQRZIFGFZQDE-AWEZNQCLSA-N	413.308	6.090	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)s1	444816940	KIIGROMKCBEPPA-NEPJUHHUSA-N	424.389	5.788	30	20	HKED	
CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	448408045	SMXXYYLZAFSWSZ-INIZCTEOSA-N	409.555	5.203	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)cc2)cc1	462057528	GLERLVGPAQKUPD-SFHVURJKSA-N	400.478	5.282	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1SCCc2sccc21	463110147	XUYWWUQWEMBFSO-LJQANCHMSA-N	407.520	5.085	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)c1cccc(C#N)c1	463679966	OCVLIYCQULCLJE-HNNXBMFYSA-N	410.395	6.112	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@@H]1c1cccc(C)c1C	464586717	KOVZQDUXEQIFTK-JOCHJYFZSA-N	406.526	5.097	30	20	HKED	
CO[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(Cl)c1	464597829	YANRPQQVDYITBP-FQEVSTJZSA-N	422.937	5.480	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1	467705849	SGWZITBHLCZYGV-DLBZAZTESA-N	405.527	5.149	30	20	HKED	
CN(CCCOc1ccc(Cl)cc1)C(=O)c1cn(CCCC#N)c2ccccc12	468811750	CODIQSIWAOZKKA-UHFFFAOYSA-N	409.917	5.140	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H](Cc3ccccc3)c3ccccc3)ccc21	469332924	XPZWJFJJCIABBA-VWLOTQADSA-N	409.533	5.665	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	471462480	NLWBZSNEQFUGOF-RHSMWYFYSA-N	419.472	5.175	30	20	HKED	
Cc1c(F)ccc(Cl)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	475013508	DGSOZFKAXJYMFR-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1	476671029	NIHFAEVIGSZVDM-OAHLLOKOSA-N	403.345	5.289	30	20	HKED	
CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C[C@@H](CC#N)c1ccccc1	477094044	ANIFBKGKNCLGFK-MJGOQNOKSA-N	411.343	5.200	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	477774376	XQQMJRCTVITMGB-UHFFFAOYSA-N	405.420	5.295	30	20	HKED	
C[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cc2ccccc2o1	482115017	OYGOYEJRIGIBEW-INIZCTEOSA-N	409.445	5.299	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F	482323619	ZZSOTBQJIQUSKE-GOSISDBHSA-N	409.839	5.435	30	20	HKED	
CSc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1[N+](=O)[O-]	485734446	VWLQZZMMKYJMMZ-UHFFFAOYSA-N	401.513	5.161	30	20	HKED	
COc1ccc([C@@H](NC(=O)CNc2ccccc2S[C@H](C)CC#N)C(C)C)cc1	487380372	REENXRRNYDFGQN-HXOBKFHXSA-N	411.571	5.015	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H](CCCC#N)c1ccccc1	487422967	YEJVLAVDGNBEQR-QRWLVFNGSA-N	417.322	5.318	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(C#N)c(Br)c1	487935004	LVENOPNOTZCDAK-LBPRGKRZSA-N	421.364	5.434	30	20	HKED	
C=CCn1cccc1C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1	488844596	ONZBQUNPAWNEJS-UHFFFAOYSA-N	413.477	5.062	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCO[C@H]3c3ccccc3)c2)cc1	489815417	JBFOBFKYKSEPQL-YKSBVNFPSA-N	413.477	5.250	30	20	HKED	
CCN(C(=O)CSc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cccnc1	496448134	OKFVMYUYGFXQTQ-HSZRJFAPSA-N	421.953	5.337	30	20	HKED	
Cc1cc(C)n(CCSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)n1	504502307	FOOJMXZLENAZQK-UHFFFAOYSA-N	406.433	5.146	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c3ccccc3n2)cc1	505456986	GUPNJKRHXWHMGI-HXUWFJFHSA-N	419.440	5.542	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccccc2Cl)sc2nc(C(F)(F)F)ccc12	505658511	IDJQCVHALFSVHT-CYBMUJFWSA-N	409.820	5.272	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)c12	505795213	HUUZLLXZKBFCGQ-LJQANCHMSA-N	421.932	5.020	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc(-c2ccccc2)ccc1C#N	510188471	AQGIMZIQDGNMEJ-MRXNPFEDSA-N	405.498	5.071	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(-c3ccccc3)o2)cc1	510687160	YMPHHPPPDPGBCH-UHFFFAOYSA-N	415.493	5.083	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCc3coc4ccccc34)cc2F)c1	512549714	VSGKVUFUNYGVTG-UHFFFAOYSA-N	415.424	5.344	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1	512793658	WAZWTVZUFFEWLP-UHFFFAOYSA-N	403.404	5.172	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1cccc2ccccc12	515043672	SKASJVSJYDRXDJ-UHFFFAOYSA-N	409.445	5.225	30	20	HKED	
CC(C)(C)c1noc2ncc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc12	517285990	OBAYDURVBNOEKT-UHFFFAOYSA-N	402.479	5.373	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cc3c2C1	517520354	AUJFSRUNCHRNLM-HZPDHXFCSA-N	403.551	5.939	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	517657971	VWUXTGJXBSDXIU-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(F)cc1)c1ccc(OC)cc1	517786582	QEMNZQQBYRKYTR-JOCHJYFZSA-N	410.514	5.383	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCSc2ccc(Cl)cc21	518165010	CRDMXAIJUXWGIV-BBRMVZONSA-N	417.987	5.950	30	20	HKED	
Cc1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1C(C)C	518739063	LYQLVXMCNGPDHM-INIZCTEOSA-N	419.554	5.346	30	20	HKED	
CCCOc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1OCCC	518848866	GFQNVBDOMHUNKN-SFHVURJKSA-N	420.431	5.278	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cs1	521418393	OAPZMYYZVVFLBK-UHFFFAOYSA-N	404.539	5.110	30	20	HKED	
CC(C)CN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)Cc1ccc(C#N)cc1	521822124	AESZVDVHKSTQRB-UHFFFAOYSA-N	405.586	5.902	30	20	HKED	
COc1cc([C@H](C)Nc2cc(C#N)c3ccccc3n2)ccc1OCc1ccncc1	522936191	NEMNYJLBEKIJHW-KRWDZBQOSA-N	410.477	5.262	30	20	HKED	
CSCCCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	523487873	BHCZFXFZMVMUJM-UHFFFAOYSA-N	413.490	5.096	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(C(C)(C)C)n1	524010717	ZYWRZDRSPKKTLF-UHFFFAOYSA-N	405.523	5.594	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1	524311051	UACBOHISZIGLKA-UHFFFAOYSA-N	416.893	5.649	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CSCc1ccc(C#N)cc1	524413397	CTXBAISQAPOSMZ-LJQANCHMSA-N	416.546	5.879	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(F)c1	524501744	JOBHWIZVNWFATA-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	532406181	MXEYKPIWIOZBAF-UHFFFAOYSA-N	403.935	5.246	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1NC(=O)c1cccs1	533919798	LRFLFOSALNARCW-UHFFFAOYSA-N	419.506	5.220	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1cc(Br)ccc1F	536187231	RFZCFZZIDMCAML-CYBMUJFWSA-N	421.335	5.554	30	20	HKED	
CCCC(=O)Nc1cccc(CNC(=O)c2ccccc2Oc2ccccc2C#N)c1	539774561	DLPNGFUPRFRFFC-UHFFFAOYSA-N	413.477	5.019	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(Br)c(Cl)c3Cl)o2)cc1	543657541	JBAFRWRTQQRAKC-UHFFFAOYSA-N	424.085	5.290	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3cccs3)o2)cc1	544021415	QUMVPSZNLKOUJG-UHFFFAOYSA-N	414.486	5.905	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN1Cc1ccccc1	554609184	KFAMKRQJHLSUGR-RUZDIDTESA-N	411.505	5.262	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1c(F)cncc1F	561967008	LOTUKTPIXVRTNU-CABCVRRESA-N	406.436	5.020	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc3cc(F)ccc3o2)cc1	569651859	JUNGWKZFBXCSNS-UHFFFAOYSA-N	417.465	5.061	30	20	HKED	
Cc1cc(NCCCC2(C#N)CCOCC2)c(C(=O)N[C@H](C)c2ccccc2)cc1F	581995938	LPUQNXITKCMCTE-LJQANCHMSA-N	423.532	5.138	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC3(c4ccc(F)cc4)CCC3)cc2)ccn1	589363783	KYQWIVUFKNMRFN-UHFFFAOYSA-N	402.429	5.086	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)nn1	590120611	GQEMRHHUPHFQEG-OAQYLSRUSA-N	401.470	5.134	30	20	HKED	
CN(c1ccccc1)c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	592973775	KPCLQWLOTBXBNG-GOSISDBHSA-N	401.466	5.693	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)o2)c(C)c1	592973794	HCVBYFMQHOVKSF-QGZVFWFLSA-N	420.465	5.714	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1	603738953	MMLAGWBWBNVEIH-FOIQADDNSA-N	401.466	5.342	30	20	HKED	
Cc1cc(Oc2ccc(NC(=O)c3ccco3)cc2)n2c(nc3ccccc32)c1C#N	603836883	ZHSHTMKZEDUZKT-UHFFFAOYSA-N	408.417	5.305	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1	604331244	QKSWNOGBLOMPPC-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	607805324	WDFUGBOTSUAMEP-HBNTYKKESA-N	421.303	5.398	30	20	HKED	
CC(C)Cn1ncc2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cnc21	609176714	WBFYLOLHQSYHTG-UHFFFAOYSA-N	411.465	5.004	30	20	HKED	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609297068	ZCYXFBNEZRDENR-UHFFFAOYSA-N	405.385	5.267	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	609414726	ONKFVONKCLUAFM-OAHLLOKOSA-N	402.306	5.420	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)c1	609551113	PWLVLTQHLNSDEU-UHFFFAOYSA-N	416.477	5.031	30	20	HKED	
Cc1cc2c[nH]nc2cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609731455	SPAAHNHNGRZNQF-UHFFFAOYSA-N	402.841	5.441	30	20	HKED	
N#CCn1c(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc2ccccc21	610234725	NJMZFCPEPYODQD-UHFFFAOYSA-N	424.891	5.537	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc3cnncc23)c1	617149286	YYWRCICDFUBOTE-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)c(C#N)c1C	617932069	RVVDZWKSWIIODD-UHFFFAOYSA-N	424.444	5.197	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	620567842	OYIRXFBDJIGKTA-KRWDZBQOSA-N	410.514	5.464	30	20	HKED	
CC1(CC(F)(F)F)CN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1	622677315	YZXIZRMLWASTNB-UHFFFAOYSA-N	419.340	5.926	30	20	HKED	
C=CCN(C(=O)c1ccc(C(=O)N(CC=C)c2ccccc2)s1)c1ccccc1	643139979	ILNVEBIUVDQHTB-UHFFFAOYSA-N	402.519	5.414	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(-c2ccc(F)cc2)on1	675550246	ODCJVWRJUIFEBZ-PJXYFTJBSA-N	424.316	5.120	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc2cc(F)ccc2s1	679541655	VUMJKDVTKRNKCW-LLVKDONJSA-N	415.421	5.327	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](Cc1nccn1C)c1ccccc1	682778045	XDBSCJOLTFEELQ-JOCHJYFZSA-N	402.542	5.378	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2ccco2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S	726962182	SDHSVAXWVIFDOM-ZSXDVEMLSA-N	413.591	5.110	30	20	HKED	
CN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21	728845799	SPQODBBEBDBGPH-OTIVFRFGSA-N	413.340	5.029	30	20	HKED	
C#CCN(Cc1nc(O)c2c(-c3ccccc3)csc2n1)[C@@H]1CCc2ccccc21	728913384	YVENDSPKLPBUMR-OAQYLSRUSA-N	411.530	5.187	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3F)c3ccccc3n2)c(C)c1	729653943	REOGCGPROUYNCF-UHFFFAOYSA-N	409.464	5.806	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	729887941	FUVFDVUROTVCHV-DCMZOXEDSA-N	414.864	5.017	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	731331992	ZKAKIDIFNOCYML-VWLOTQADSA-N	423.472	5.253	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(-c2ccccc2)cc1	731352419	XHIMDMVHPBMQPH-SFHVURJKSA-N	401.535	5.798	30	20	HKED	
N#C[C@@H](C(=O)CCCCCc1cccs1)c1nc2cc(C(F)(F)F)ccc2s1	731546129	KDZVSBUCKCVTPE-HNNXBMFYSA-N	422.497	6.356	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	734081564	MZUQTRLNKBQHQY-WBMJQRKESA-N	416.333	5.567	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1ccc(C)c(Oc2ccncc2)c1	734314434	RBKSAQBGIZVGDY-UHFFFAOYSA-N	419.506	5.068	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1csc(-c2c(F)cccc2F)n1	735350061	UIZXFTZQNNCMGR-UHFFFAOYSA-N	420.824	5.001	30	20	HKED	
Cc1ccc(Cn2nc(C)c(/C=C\C(=O)c3c(Cl)nc4ccccn34)c2C)cc1	737446432	SGJIWXZNQFUGNF-QXMHVHEDSA-N	404.901	5.054	30	20	HKED	
CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cc3cc(F)ccc3o2)cc1	741760415	WPNADPBFHSHCMS-UHFFFAOYSA-N	410.474	5.037	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)ccc1-n1cncn1	742434382	HTACUAMXJNAKPN-YCRREMRBSA-N	403.429	5.126	30	20	HKED	
COc1ccc(C(C)=NNc2nc3cc(C(F)(F)F)ccc3s2)cc1NC(C)=O	743445364	QZYOBAZGKVXFNW-UHFFFAOYSA-N	422.432	5.118	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cnc(C(C)(C)C)s3)n2)cc1	744032634	UXNRGSACDRJSOE-FVNWOWOISA-N	407.564	5.762	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c2Cl)cc1	747193607	KMHCWQQCSQQLCT-INIZCTEOSA-N	412.946	5.272	30	20	HKED	
Cc1ccc2c(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c[nH]c2c1	749422907	DJNORAYIDCZSKI-DEOSSOPVSA-N	408.505	5.496	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccccn3)n2)CCc2cc(SC(F)F)ccc21	750914903	AEOQGUOZKLKOHA-UKTHLTGXSA-N	400.475	5.732	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1cnc(-c2cccs2)s1)C(=O)c1ccccc1	751512806	AMUYTGZIMBNCIP-PDGQHHTCSA-N	417.515	5.172	30	20	HKED	
C#CC[C@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccccc1	757617967	RRANIXKVAHWBIW-IBGZPJMESA-N	422.937	5.457	30	20	HKED	
CC[C@](C)(CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1OCCO1	758536315	VEMVAMIIWYUQDE-RCZVLFRGSA-N	421.541	5.033	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1	761668403	OGWGRILJLZARJO-LJQANCHMSA-N	401.869	5.531	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	761673750	OCXHAZRXFKOVNN-KRWDZBQOSA-N	408.260	5.404	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2)nn(CN2[C@H]3CC[C@H]2c2ccccc23)c1=S	765025604	MYGNAHROOYWUQA-SFTDATJTSA-N	404.539	5.125	30	20	HKED	
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	765910869	VSJQUWVGNSHNSP-CQLNOVPUSA-N	417.484	5.115	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1	766845292	AFIVTPQSJNKJQF-CQSZACIVSA-N	408.832	5.778	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(Cl)c(O)c(Cl)c1	767177518	NTGIEGYZAWOBAL-UHFFFAOYSA-N	415.301	5.974	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1cccs1	768414786	LYEGTRHTCAGHSB-UHFFFAOYSA-N	421.547	5.080	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3cccnc3)nc2C)ccc1OC	772986247	OOTUNCPAEMWEND-KXBFYZLASA-N	422.554	5.054	30	20	HKED	
CCCCCCCCN(Cc1ccccc1)C(=O)N[C@H]1CCOC2(CCOCC2)C1	777745436	ZWOTUCUPSCTNHC-QHCPKHFHSA-N	416.606	5.287	30	20	HKED	
Cn1cc(CNc2ccc(OCc3cccc(C#N)c3)cc2)c(-c2ccc(C#N)cc2)n1	779595014	SPGBTKGZBGFCBS-UHFFFAOYSA-N	419.488	5.022	30	20	HKED	
Sc1nnc(SCc2ccccc2)n1N=Cc1ccc(Oc2ccccc2)o1	779760697	CDYNSAYMSMJMMQ-UHFFFAOYSA-N	408.508	5.127	30	20	HKED	
CCC[C@@H]1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	780311868	GGEWGTXQULQBLG-XNRPHZJLSA-N	423.365	5.888	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	784628417	ZVNQHKGESPJMGI-XMMPIXPASA-N	406.482	5.098	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCC[C@H](C)c1cccc(OC)c1	790890187	HHKJZHNLVHRDNV-IBGZPJMESA-N	401.510	5.104	30	20	HKED	
CC(C)(C)c1csc(-c2cccc(OC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)n1	791604963	BQLKVNRBNMEIOO-LJQANCHMSA-N	415.518	5.267	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3ccc(O)cc3C2=O)cs1	794960503	UFMBYYOOAQKJCR-GDNBJRDFSA-N	424.909	5.399	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2Br)C1	800577373	NIDBYZPVQFKZHE-FQEVSTJZSA-N	415.331	5.173	30	20	HKED	
Cc1onc(-c2cccnc2)c1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	803823473	ACCKTBKLQGJKQP-UHFFFAOYSA-N	423.472	5.102	30	20	HKED	
O=C(Nc1cccc(/C=C/C(=O)c2cn3c(n2)CCCC3)c1)c1ccc(Cl)cc1	806564360	ADVKWPVDTDVBOY-KPKJPENVSA-N	405.885	5.021	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](NCc1ccc(Cl)cc1C#N)c1ccccc1	810133673	KJPPUXVNVLPNNV-OAQYLSRUSA-N	413.949	5.347	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3c(F)cccc3F)cc2)cs1	811698471	RLRSEGWGWPCKSH-VAWYXSNFSA-N	412.461	5.357	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=S)Nc3ccccc3-c3ccccc3)cc2)ccn1	811708676	FZPLSTGOIWGYBL-UHFFFAOYSA-N	422.513	6.221	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1	813218129	MHEGUPBQRRYHDI-ABAIWWIYSA-N	400.322	5.489	30	20	HKED	
Cc1sc2ncn(N=Cc3ncc(C(C)(C)C)s3)c(=O)c2c1-c1ccccc1	814735934	JZSPRKFABNGVLH-UHFFFAOYSA-N	408.552	5.070	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1	831487476	BELSTHJIYFBZIU-GFCCVEGCSA-N	414.021	5.222	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2CN2CCCC2)cc1	915353178	RGARWWCBACJAGT-AREMUKBSSA-N	424.548	5.260	30	20	HKED	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CS(=O)(=O)c2ccccc21	916154422	JQBWITOFPBTWTD-LCYFTJDESA-N	419.285	5.307	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CSc2cccc3cccc(Cl)c23)c1	916896603	LZYRIRIUDYRGEJ-KRWDZBQOSA-N	408.910	5.241	30	20	HKED	
C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(OCc2ccccn2)c1	917559988	ZGTWJZQHUFTWAI-PUMVZNGMSA-N	411.845	5.108	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1	918128437	USFLJEMQUVCVMM-LJQANCHMSA-N	420.299	6.382	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccccc4F)CCCC3)n2)cc1	920141906	IRAOIXPPLSNVEI-GOSISDBHSA-N	420.509	5.646	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(C)c3)CCC2)cc1	1786366510	AOAWBBLUNWNNAP-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4nc(C)ccc4o3)CCC2)cc1	1791248078	RGQYDKWBFNTJAI-MRXNPFEDSA-N	417.509	5.096	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1	1791587694	GCUPXFUFZWMXTQ-RTWAWAEBSA-N	408.929	5.154	30	20	HKED	
N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CC4CCC4)cc3)CCC2)c(Cl)c1	1792271680	IWOBVBDJICYSNP-UHFFFAOYSA-N	421.928	5.150	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1	1818800280	GLISVEVYNXUKPQ-QUCCMNQESA-N	412.578	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cs2)[nH]n1	1819553126	VAOPRGAKSBJGMC-KRWDZBQOSA-N	414.575	5.078	30	20	HKED	
C[C@@H](C#N)OC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1	6430016	OSFRBELNVURHFX-ZDUSSCGKSA-N	413.549	5.024	30	20	HKED	
Cc1cccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)c1	7034560	UQUJTZRYTVUSML-MRXNPFEDSA-N	407.930	5.432	30	20	HKED	
C[C@H](Sc1ncnc2ccsc12)C(=O)Nc1sc2c(c1C#N)CCCCC2	22005554	AJEOTGLJJJTBIJ-NSHDSACASA-N	414.581	5.013	30	20	HKED	
C=CCn1c(SCC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)nnc1C1CC1	22519035	CZHKBBQCOSSSEE-KRWDZBQOSA-N	420.582	5.344	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc3ccccc3s2)cc1	24473974	INVOZRYXYNGMKV-UHFFFAOYSA-N	415.543	5.390	30	20	HKED	
Cc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCC[C@H](C)C4)cs3)s2)o1	31257879	VCMGXKLDHOXGGG-LBPRGKRZSA-N	416.572	5.345	30	20	HKED	
Cc1ccc([C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N(C)C)cc1	60155905	SESYCYBEINYZBP-JOCHJYFZSA-N	415.562	5.051	30	20	HKED	
COc1ccc([C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C(C)C)cc1	60961213	POXVOVZGKAGWRP-AREMUKBSSA-N	400.522	5.633	30	20	HKED	
N#C[C@@]1(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCSC1	97491426	LSOMNOPNOWXEBZ-IBGZPJMESA-N	423.390	5.415	30	20	HKED	
C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1-c1ccccc1F	215716706	DWQVHCJMCAOYHY-UHFFFAOYSA-N	419.529	5.365	30	20	HKED	
C[C@@H](Nc1ncc(Cl)c(N[C@H](C)c2ccc(C#N)cc2)n1)c1ccc(C#N)cc1	301692658	LIZOLVNKKGNFMG-HUUCEWRRSA-N	402.889	5.220	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccco3)C3CCCC3)c2)cc1	303594855	IUDCACYDXANMPR-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
CC[C@@H](CC#N)NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	427474601	UHTUFNBEFBTCFX-KJCUYJGMSA-N	405.523	5.044	30	20	HKED	
CC(C)COc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Cl	428196026	YYZIJPZUOCKDSO-UHFFFAOYSA-N	422.916	5.404	30	20	HKED	
Cc1ncc(-c2ccccc2)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	428785149	LOUJGYKJMZMGHQ-UHFFFAOYSA-N	407.477	5.087	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1	431180523	PVAYJVQEWHHEFX-PZJWPPBQSA-N	423.582	5.194	30	20	HKED	
COCc1nc2cc(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)ccc2o1	431214993	ZCKDMGJCECNFJU-UHFFFAOYSA-N	414.421	5.282	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl	432093743	FACKBJJRDAVOHC-WBMJQRKESA-N	424.353	5.100	30	20	HKED	
CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](c1ccccc1)c1ncc[nH]1	432795162	DRBOGPMBJSYVQJ-HSZRJFAPSA-N	423.476	5.327	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	435773013	SKOIZEFHEHXJMC-KRWDZBQOSA-N	422.271	5.995	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1	436359844	KZBCEEFEQNIFQE-BJKOFHAPSA-N	415.537	5.117	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)cc1	437377059	WISOXLJSKVVESV-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
N#Cc1csc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	437397433	ZCNQQDJGWJXVMI-LBPRGKRZSA-N	404.303	5.540	30	20	HKED	
C[C@@H](Nc1cccc(COc2cccc(F)c2)c1)C(=O)N(CCC#N)c1ccccc1	439544297	CEFRULBZLCAQHZ-LJQANCHMSA-N	417.484	5.152	30	20	HKED	
C=CCC[C@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)c1ccc(C(F)(F)F)cc1	441541271	CZXIRLAMUPJONM-IBGZPJMESA-N	424.850	5.755	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)CC2)cc1	442709660	ASIBNMQQXFIODE-UHFFFAOYSA-N	422.315	5.790	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c2ccccc21	444026270	WILXSUUWHXRNHK-UHFFFAOYSA-N	421.913	5.369	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CCCC1(C)C	444903241	XEUOAKBENNGFCJ-JHOBJCJYSA-N	424.610	5.734	30	20	HKED	
O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(F)cc1C(F)(F)F	448286687	AYMCVNLQDIMBQX-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1	461696850	MOYSBXBERNOYLV-UHFFFAOYSA-N	402.479	5.502	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2cccc(OC)c2)cc1	466144842	ZUDHEMFEEGVFLF-UHFFFAOYSA-N	413.521	5.356	30	20	HKED	
CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	469690276	LHBRGCYMZYLDDX-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
N#CCCCn1cc(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)c2ccccc21	469729491	QSWUQAKZWJLKBB-UHFFFAOYSA-N	413.477	5.086	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1	470719870	MLNZIYVMDIFEDL-LJQANCHMSA-N	408.486	5.156	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1	470909079	NIXPAKKNYCBQSH-UHFFFAOYSA-N	405.567	5.714	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c2C)c1	476499096	IKUAXAQBYINBHZ-UHFFFAOYSA-N	414.505	5.636	30	20	HKED	
C=C(C)[C@H](NC(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccc(F)c(F)c1	476866978	WYUJXVNJXHBODH-QHCPKHFHSA-N	423.463	5.055	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)c2ccc(C(F)(F)F)cc2)cc1	479483848	OUTIQPMTXMLCGB-QFIPXVFZSA-N	414.402	5.604	30	20	HKED	
C=C(C)[C@@H](NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)c(F)c1	481580781	LNKULOWDRXBHOE-GOSISDBHSA-N	409.358	5.441	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C	482200250	NJRCBSDLKGGHAY-FQEVSTJZSA-N	420.561	5.188	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)n1	482523274	FVSLLYVUUQKSIZ-OAHLLOKOSA-N	410.539	5.159	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2c1	483216489	AWOGKZFOSLOQII-MRXNPFEDSA-N	405.251	5.542	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1ccccc1	483342442	CGSSZOILQYKTRO-ZDUSSCGKSA-N	411.221	5.494	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1cccc([N+](=O)[O-])c1	489639560	YKDLHHJXXVLAIQ-MRXNPFEDSA-N	410.499	5.113	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1	500364349	FMKMJXGWZYKWCN-UHFFFAOYSA-N	412.276	5.624	30	20	HKED	
C=CCc1cc(CNCc2ccc(Oc3ccccc3OC)cc2)cc(OC)c1O	500890176	DFQMOMINNQMDQH-UHFFFAOYSA-N	405.494	5.220	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)F)n2)c1	501163249	LYOPECCVHNIWFN-CVEARBPZSA-N	411.433	5.025	30	20	HKED	
C=CCN(C(=O)c1oc2c(ccc3ccccc32)c1C)c1nc(C(=O)OCC)cs1	501942053	YDYCTEOMBWHJNX-UHFFFAOYSA-N	420.490	5.360	30	20	HKED	
C[C@@H](NC(=O)NC1(c2ccc(Br)cc2)CCCC1)c1ccc(C#N)cc1	503241361	AKQJZKSBCQGQFV-OAHLLOKOSA-N	412.331	5.150	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1SCCc2sccc21)c1ccc(OCc2ccccc2)cc1	505355394	HVGWUDNPCAMNJJ-UNMCSNQZSA-N	420.559	5.039	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1c(Cl)cccc1Cl	505534407	WPVCOIUCYMCXGR-QGZVFWFLSA-N	418.305	5.024	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2COc3ccccc3C2)cc1Cl	505724812	FXZYVFZVGDJGQS-TZIWHRDSSA-N	417.896	5.121	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CC2(C(=O)O)CCCCCC2)cc1	507849952	DVOYWPCIDUKPNB-UHFFFAOYSA-N	422.481	5.113	30	20	HKED	
Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(C#N)c1C	511863078	HAPGNULJSQATOB-UHFFFAOYSA-N	424.913	5.142	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c12	512853213	VANWPAUTZGNOJU-UHFFFAOYSA-N	406.829	5.213	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(F)ccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3	513666424	MLNRPGGVIGGIIM-CYBMUJFWSA-N	423.494	5.120	30	20	HKED	
N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc2ccccc2s1	513687730	YXUVCNCUMNTGIK-LJQANCHMSA-N	407.498	5.789	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1	518170109	YJGYLVXOFLOGBF-GJZGRUSLSA-N	421.488	6.182	30	20	HKED	
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1S[C@H](C)CC#N	518740256	RIIWYPFAVPXCDH-OLZOCXBDSA-N	419.890	5.048	30	20	HKED	
C[C@](C#N)(NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C1CCCCC1	522025466	HJZLAGAXRQEWQH-HXUWFJFHSA-N	422.381	5.638	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)ccc21	523798726	ZEINQVPQRKOULD-CYBMUJFWSA-N	411.387	5.002	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(F)c1I	530454675	QMMMULPEQGMUOD-UHFFFAOYSA-N	423.269	5.535	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1	533498268	ZBLGQKCJNJZZJH-UHFFFAOYSA-N	418.566	5.670	30	20	HKED	
CCc1ccc(C2=CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)cc1	537895377	UVKWVQURTKEEKH-UHFFFAOYSA-N	409.489	5.237	30	20	HKED	
N#CCCn1ccc(NC(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)n1	539010787	OSBZPUHUUNOPII-FUHWJXTLSA-N	419.451	5.054	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(Oc2cccnc2)c1	539757468	YEPRKIWBYYZVEH-KRWDZBQOSA-N	419.506	5.286	30	20	HKED	
C=CCN(C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C)C1CC1	540127196	JLGVSXOFVGPIKZ-ZDUSSCGKSA-N	420.376	5.302	30	20	HKED	
Cn1ccc([C@H](NCc2ccc(-c3ccccc3C#N)cc2)c2ccc(Cl)cc2)n1	542704927	QZRFAKQUUFDAHX-RUZDIDTESA-N	412.924	5.491	30	20	HKED	
C[C@@H](N[C@H](C)c1nc(Cc2ccccc2)no1)c1ccc(-c2cccc(C#N)c2)cc1	543862398	QVHSIABCISRPAZ-RTBURBONSA-N	408.505	5.611	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccncc1Cl	548113602	INDOBTKLQVRSIE-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1	549219751	SLKZJUJSPOYYGY-SFHVURJKSA-N	424.593	5.012	30	20	HKED	
Cc1sc([C@H](C)NCc2cnc3ccc(C#N)cn23)nc1-c1ccc(Cl)cc1	560256070	BELFWRGTLRPMLI-ZDUSSCGKSA-N	407.930	5.142	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1N1CCCCC1)c1nc(-c2c(F)cccc2F)cs1	560544732	TWHFLCAOBDLLRJ-MRXNPFEDSA-N	423.488	5.569	30	20	HKED	
C=CCC(C)(C)c1noc(CSc2nnc(-c3ccco3)n2C2CCCCC2)n1	570468678	CEPXECNOAGUVNK-UHFFFAOYSA-N	413.547	5.572	30	20	HKED	
CCN(C(=O)CCCCCC#N)[C@H](c1ccc(Br)cc1)c1cccnc1	588926073	YJECLEHDQAKSIX-OAQYLSRUSA-N	414.347	5.256	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)c1	589740975	NTMMWSJSFWAAJO-UHFFFAOYSA-N	408.420	5.042	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC4(CCC4)[C@H]3c3ccccc3)cn2)cc1	590106635	HNLUPSOPIKUXAY-HSZRJFAPSA-N	410.477	5.505	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1	591127338	XUARBTSYXLQBPE-UHFFFAOYSA-N	423.299	5.368	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	607449967	ZPXUEPSUOJXHKL-GFCCVEGCSA-N	407.322	6.033	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)N(C)Cc3ccc(C#N)cc3)cc2)c1	609043238	GIZWQYOEJNEIQY-HXUWFJFHSA-N	413.521	5.348	30	20	HKED	
COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1OC(C)C	609073690	RPEHBEIZZHIQOA-UHFFFAOYSA-N	416.477	5.185	30	20	HKED	
CCOc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609079177	NTCMHKYVSUXZPF-UHFFFAOYSA-N	415.493	5.166	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N	609151687	PNQQLBUBKSUYRQ-KRWDZBQOSA-N	415.880	5.084	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2cnn(C(C)C)c2n1	609177001	YRKVLFFCCAIBEH-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609177305	ONIYFPJFMYFZKG-HJPURHCSSA-N	411.461	5.197	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3cc(-c4ccccc4)no3)c2)cc1	609209713	JDWZTZGJLRCBNU-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1nc(O)c2ccc(C(F)(F)F)cc2n1	609431687	ADNOJWDNZKSGBQ-GFCCVEGCSA-N	418.444	5.361	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1nc(O)c2ccc(C(F)(F)F)cc2n1	609431688	ADNOJWDNZKSGBQ-LBPRGKRZSA-N	418.444	5.361	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(OC(F)(F)F)cc1	609438092	BPQDJIUIPHFCRA-AWEZNQCLSA-N	423.460	5.344	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)S[C@H](C)c2ccc(C#N)cc2)c(Br)c1	609826154	WQGWWRSAHMKMCL-KGLIPLIRSA-N	403.345	5.451	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC(Cc4ccccc4Cl)C3)cn2)cc1	610629630	RXWNWCYPMFFAAW-UHFFFAOYSA-N	418.884	5.105	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C[C@H]4CCOC4)C3)cc2)cc1	611357605	NCUZUCUUTRHFAR-VQTJNVASSA-N	405.498	5.021	30	20	HKED	
C=CCn1c(SCc2sccc2Br)nnc1-c1ccc(OC)cc1	620229798	KTGNTACMNGIWAE-UHFFFAOYSA-N	422.373	5.256	30	20	HKED	
COCc1ccccc1C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	642281553	JEQUIIGXQJQLDK-XOQVKLMPSA-N	406.551	5.247	30	20	HKED	
C=C(C)CN(CC)C(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1C	669274283	OFLQELFMRONBKF-UHFFFAOYSA-N	416.521	5.204	30	20	HKED	
O=C(Nc1cc(C(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	676136049	YAJXMPLYRBIALW-HTQZYQBOSA-N	410.692	5.482	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1	726845083	CMERMCHYOWIWHW-LJQANCHMSA-N	403.404	5.367	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	727233262	LNUVDPBLDLPYGM-NWDGAFQWSA-N	423.341	5.094	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2/COc3c(Br)cc(Cl)cc3C2=O)cc1	728697633	UJXHFQWZEDYWMH-RYPVXOHGSA-N	418.674	5.052	30	20	HKED	
COc1ccccc1C[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	730686083	CVVONKZNVZRBOM-XLIONFOSSA-N	404.535	5.572	30	20	HKED	
C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc(NC(=O)c2ccncc2)cc1	733750238	QSXGYAWRJDGFGE-UWLYNBDASA-N	414.292	5.526	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccncc1	734667811	PWQSKIMZIUCQGN-MHECFPHRSA-N	419.500	5.477	30	20	HKED	
C=C(C)COc1cc(/C=C2/SC(=S)N(C(C3CC3)C3CC3)C2=O)ccc1OC	734880756	RKVXOMFRQSRYCS-YBFXNURJSA-N	415.580	5.040	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)COc3cc(Cl)c(Cl)cc3Cl)[nH]c12	735790557	NFGKCZJIIJYMGR-SNVBAGLBSA-N	408.672	5.087	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	736955118	FJVLQWJMRPVYLW-YBGOQADZSA-N	413.496	5.891	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	739154991	OGCHXBSTBRIYMA-GUYCJALGSA-N	403.309	5.397	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1	739155500	QUTYCQADNPDEGN-IUODEOHRSA-N	408.807	5.200	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccncc1	740480813	HPFAMYPBVYFLBW-SBUREZEXSA-N	405.929	6.080	30	20	HKED	
CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3OC)cc2)cc1	741466737	CJEPXDWOQATCQC-LICLKQGHSA-N	421.518	5.020	30	20	HKED	
COc1ccccc1-c1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1	741468315	HSRPRZLFMLNAPZ-SDNWHVSQSA-N	404.462	5.284	30	20	HKED	
COCc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1	741759184	ZOAMMEWVCQIKDW-UHFFFAOYSA-N	423.925	5.115	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(F)(F)F)CC2)c1=S	743386338	ZIMUAISRUNHABH-UHFFFAOYSA-N	416.900	5.152	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	744027233	NIPMQPMNXMGHQM-GUYCJALGSA-N	420.456	5.057	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2csc(C3CCCCC3)n2)cc1OC	744180645	WZZOEERBRHBYHV-UHFFFAOYSA-N	408.951	5.802	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)[C@@H](C)C2)cc1C	747971764	SKFPNGYFRVRINX-VQTJNVASSA-N	422.598	5.440	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C2SCCS2)c1	752623855	BLZMKFSBUGJJCH-PMACEKPBSA-N	409.580	5.469	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1OC(F)F	753411949	GVQUGNUHBWSMGE-MSKHEQNASA-N	402.397	5.317	30	20	HKED	
C=C[C@H](C)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1	757014537	ZHVVSNQYAWJULA-AWEZNQCLSA-N	413.593	5.260	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CCC(OCCC(C)C)CC2)c1=S	764900483	BSUJKBOMAKBOHK-UHFFFAOYSA-N	414.619	5.060	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(NC(=O)c3ccncc3)c2)cc1	765255108	NMVAAYKZKSVZKL-GOSISDBHSA-N	421.928	5.316	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(-c2ccccc2)no1	768498670	BSAAWGBOXNBYTM-MRXNPFEDSA-N	414.440	5.499	30	20	HKED	
COCCc1nc(C)c(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)s1	770597979	UMSJVWNKVPDLPK-UHFFFAOYSA-N	423.567	5.148	30	20	HKED	
O=C(/C=C\c1nc2ccc(Br)cc2s1)c1c(Cl)nc2sccn12	773140554	SVHXVUBODWRTSV-ARJAWSKDSA-N	424.732	5.318	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	773767399	CPVGFSZJJKJYAN-MAUKXSAKSA-N	423.875	5.045	30	20	HKED	
CC(C)c1cccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)o2)c1	776519250	ZHMOWXZSWJZZHR-QGZVFWFLSA-N	406.869	5.685	30	20	HKED	
COCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(C)o1	778257564	VMGWVKKXGDLBDR-VXKWHMMOSA-N	403.482	5.143	30	20	HKED	
C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)Nc1ccccc1-c1ccccc1	778547327	LFRWZKJIQNIHCG-HNNXBMFYSA-N	404.853	5.063	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1	780156614	FWVYYIWQFAPZHH-UUOWRZLLSA-N	400.478	5.299	30	20	HKED	
N#CC1(COC(=O)c2oc3ccccc3c2CSCc2ccccc2)CCOCC1	780547191	NIOSVBCPUAUIHO-UHFFFAOYSA-N	421.518	5.343	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C(F)(F)c1ncccc1C	782470472	QTNNWCINECSDJK-UHFFFAOYSA-N	409.411	5.034	30	20	HKED	
C[C@H](N[C@H](C)CC(=O)Nc1cccnc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	782778249	PAKZTWMGUBCQMR-SJORKVTESA-N	418.928	5.342	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CC2CCC(C(F)(F)F)CC2)cc1	783358163	YHZSNPZQKCXRMH-QSUGNCRHSA-N	408.464	5.606	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2c(cc1O)CCCC2	786958837	NPHLMRMLUCNPFD-KRWDZBQOSA-N	403.526	5.027	30	20	HKED	
CCOc1c(Br)cc(/C=C\C(=O)c2cnn(C(C)(C)C)c2C)cc1OC	787186628	MMYHMVRQFSETRP-HJWRWDBZSA-N	421.335	5.012	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccco3)s2)CC/C1=C\c1cnc(-c2ccco2)s1	789127922	PGZYUYBHUONDAY-UTLPMFLDSA-N	406.488	5.950	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)c1nccc2ccccc12	792099751	JJCLTMXISBFTMQ-SFHVURJKSA-N	411.324	5.356	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1sc(SC(F)F)nc1C	792838490	LOACEDOBBRTHQD-UHFFFAOYSA-N	408.948	5.238	30	20	HKED	
COc1cc(C#N)ccc1CN[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	796472174	UYBJUEGGSUJWMB-SFHVURJKSA-N	408.716	5.249	30	20	HKED	
COc1cc2c(cc1F)C/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	798371041	FHYUHJLXKILZOG-SXGWCWSVSA-N	421.855	5.562	30	20	HKED	
Cc1ccc(Cl)c(NC(=S)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1Cl	799511332	KMOTZJWMFAKMPB-UHFFFAOYSA-N	420.243	5.881	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C2SCCS2)cc1	804560699	JIDGIJQCKAOOAH-UHFFFAOYSA-N	401.601	5.161	30	20	HKED	
O=C(Nc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1)c1ccccc1Cl	806577574	DTZOSJYSXFKTHX-UVTDQMKNSA-N	409.272	5.463	30	20	HKED	
N#CCOc1ccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	814295852	HYXNFVIUDLKDCS-FRKPEAEDSA-N	421.330	5.302	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)sc2ccc(Br)cc12	816016475	QZPYJCKDYIXELB-NSHDSACASA-N	415.312	5.515	30	20	HKED	
N#Cc1ccc(CNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1	914445566	XVFKKDGUMCJIAV-UHFFFAOYSA-N	415.543	5.390	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1	915086772	NFYGKIOTWUWRGL-HXUWFJFHSA-N	418.880	5.409	30	20	HKED	
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=S)Nc1ccccc1C#N	915996844	DIZNTVCEDKSLLY-UHFFFAOYSA-N	407.520	5.272	30	20	HKED	
CCCCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916906040	AVPKGJREQRWJOJ-QFIPXVFZSA-N	412.489	5.783	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3	916916543	VPWPOWGJZRPPEZ-NRFANRHFSA-N	407.473	5.161	30	20	HKED	
CCCCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1	917560438	YOCMRJDPYQRHDT-DTQAZKPQSA-N	418.562	6.375	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1	920108911	KZMDCKLUUZIKJO-IFXJQAMLSA-N	402.416	5.109	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3Cl)n2)cc1	920142576	LJUMEWNHRLQGIU-BBRMVZONSA-N	412.898	5.116	30	20	HKED	
COc1cccc(C=Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1O	920945295	VBUCGUHSXXBHAL-UHFFFAOYSA-N	414.383	5.423	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)c1	921132393	QKJLEEVTQQWWDK-ZDUSSCGKSA-N	415.927	5.103	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816691841	LCGMNQLLECDLMF-FPOVZHCZSA-N	412.578	5.141	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)[nH]n1	1819307461	UZOVBWVUUVSJIW-AZUAARDMSA-N	412.578	5.163	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)cc2)cc1	10173312	QOORVRZSDOJKBV-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
CCc1sc(-c2nnc(CSc3nc(C)cc(C(F)(F)F)c3C#N)o2)cc1C	10399211	ZSIWULNKSKKFLZ-UHFFFAOYSA-N	424.473	5.555	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccccc1C	11167001	ALXUAGQLOUFNIS-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CN(Cc1ccccc1NCC(=O)Nc1ccccc1SCC#N)C1CCCCC1	15322867	WNFUAGYMVCTKOJ-UHFFFAOYSA-N	422.598	5.117	30	20	HKED	
Cc1ccc2nc(COc3ccc(C(=O)Nc4ccc(C(C)(C)C#N)cc4)cc3)cn2c1	29151368	KQPJZBRSGZWOEA-UHFFFAOYSA-N	424.504	5.275	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1cccc2cccnc12	29454083	SZLXHLRAINKQJY-UHFFFAOYSA-N	409.514	5.230	30	20	HKED	
C=CCn1c(SCc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1OC	45900292	YQWQRKNDFSNLME-UHFFFAOYSA-N	421.444	5.331	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1	61491831	DHLJORJDDMBBHP-UHFFFAOYSA-N	422.337	5.252	30	20	HKED	
C=CCn1c(SC[C@@H](C#N)CCC#N)nc2scc(-c3ccc(C)cc3)c2c1=O	61716123	AYIDGJINFPCOMP-MRXNPFEDSA-N	420.563	5.155	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2	65880706	ZVLVNSUVHFIWHM-HZGBGQKMSA-N	415.924	5.607	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCSc3ccccc32)cc1	302051747	HGGWRXCFJSREHX-OAQYLSRUSA-N	416.571	5.817	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	303498811	XYQDWROQRPPUCU-HNNXBMFYSA-N	424.472	6.261	30	20	HKED	
CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4sc5ccc(C#N)cc5c4C)n3)cc21	426457197	XSCNYUWNNNOSES-SFHVURJKSA-N	418.503	5.155	30	20	HKED	
CO[C@@](C)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1F	428923296	QXEFCPBDQLUEQU-XMMPIXPASA-N	404.441	5.298	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	429691922	YLDHYAYIXOYSKI-CYBMUJFWSA-N	420.321	5.856	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Br)c3c2OCCC3)s1	430590376	HKGAUJPGMYIHMC-ZDUSSCGKSA-N	419.344	5.018	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](c4ccccc4)C3)s2)cc1	431692395	OZBCNQCAMRHLDN-FQEVSTJZSA-N	402.523	5.017	30	20	HKED	
C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1	437725240	XXGMPIIDFDJOIR-KUHUBIRLSA-N	404.457	5.544	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)s1	438061442	AWRNLCGRSDZCRW-UKRRQHHQSA-N	402.589	5.491	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1	439303762	LQDPRGCJCIHDEG-KRWDZBQOSA-N	413.403	5.058	30	20	HKED	
Cc1c(CNCc2cn(CCC#N)nc2-c2ccccc2)sc2ccc(Cl)cc12	441367124	HDVQEIYZHFYRNT-UHFFFAOYSA-N	420.969	5.930	30	20	HKED	
Fc1cc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c2c(c1)COCO2	444742543	JCQAREIJSNBJFC-MRXNPFEDSA-N	423.328	5.494	30	20	HKED	
CN(CC1(c2ccccc2)CC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	444823323	PIHOZGVOCPLTAO-UHFFFAOYSA-N	424.504	5.006	30	20	HKED	
CC(C)(OCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)C(F)(F)F	448310703	GQEVYMGYMGAXHC-UHFFFAOYSA-N	410.823	5.102	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OCc3ccccn3)cc2)cc1	460972386	XNYHZGXCDGLKGF-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1Cl	461327457	YLZWCUFLONCXMM-VXKWHMMOSA-N	422.912	5.178	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464395524	BAGYYEYESOUNJO-AWEZNQCLSA-N	402.397	5.328	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccccc2Sc2ccccc2C#N)C1	467752751	HOLLDGVBTNCMEE-YCZSINBZSA-N	420.578	5.111	30	20	HKED	
CC(C)c1cccc2c1OCCC[C@H]2Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469010142	MYBTVPHXUHRTFN-HSZRJFAPSA-N	417.553	5.719	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3OCC(F)(F)F)on2)c1	469260267	YZQYHRBGPGIFCO-UHFFFAOYSA-N	421.762	5.060	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCC[C@H]3c3ccccc3)ccc21	470537527	LOSUEPSWAKAUHJ-QFIPXVFZSA-N	416.525	5.029	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c12	474421409	MDZJQTYFJBWAEP-INIZCTEOSA-N	421.570	5.442	30	20	HKED	
Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)n(-c2ccccc2C(F)(F)F)n1	475526527	FWXGWIYCHQSIKW-KRWDZBQOSA-N	412.415	5.226	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1	476377778	WVHMHCLRFLZWFP-UHFFFAOYSA-N	416.521	5.016	30	20	HKED	
Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2cccc(Cl)c2)cc1	480393084	DHDWRQHLIXRGOE-MRXNPFEDSA-N	407.930	5.432	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc2ccccc2s1	481744827	ZSOSAJFETGXIGT-UHFFFAOYSA-N	401.516	5.596	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1	491034681	STFQYWVCKHOPFE-UHFFFAOYSA-N	416.472	5.534	30	20	HKED	
CC(C)CCc1nc(CS(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)cs1	494743896	DJYRJDUDIQNYKC-UHFFFAOYSA-N	424.591	5.385	30	20	HKED	
CCCC[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cc(C)on1	495549285	VLZIVRCYOKEXQW-FQEVSTJZSA-N	404.470	5.256	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC=C(c3cccc4ccccc34)C2)o1	501585805	QUBCPXZIKCBGET-UHFFFAOYSA-N	420.468	5.423	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Cc3csc(-c4ccccc4Cl)n3)CC2)cc1	503876173	ROBPRPLJDUHEEK-UHFFFAOYSA-N	419.937	5.194	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[nH]c(C(F)(F)F)c1	504186095	VJLXBAQJHPXJKO-LLVKDONJSA-N	418.259	5.476	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)o1	504520965	ZYGHYTCTDIJZQU-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1	504703042	LYXZGUSZZHXIIZ-KRWDZBQOSA-N	412.555	5.104	30	20	HKED	
Fc1ccccc1-c1cnc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)o1	505841555	XAQUIIBKWZLNLZ-QGZVFWFLSA-N	418.312	5.893	30	20	HKED	
Cn1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(-c2ccccc2Cl)n1	505922649	JYAHGWBFOZBFQT-QGZVFWFLSA-N	419.699	5.042	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCO[C@@H](c2cccs2)C1	508855013	FTMUJKSRDBMIGY-MRXNPFEDSA-N	421.353	5.077	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](CC(F)(F)F)c3ccccc3)c2)c1	513647450	HTHBXRNABZWACR-HSZRJFAPSA-N	410.439	5.921	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccc(F)cc1	514992346	MEZMBHFPRROGNI-ZDUSSCGKSA-N	412.795	5.707	30	20	HKED	
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(C2CCCCC2)cc1	515143978	WXNOFNZKLXXGLC-QHCPKHFHSA-N	403.526	5.058	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C	515184187	YYJNSAJACCXQPU-UHFFFAOYSA-N	401.491	5.229	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCC2CCCC2)cc1Cl	515896408	LLKXYOGBMUQVDO-NRFANRHFSA-N	423.944	5.021	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1	516399290	LIFSMMIRHKKLIZ-UHFFFAOYSA-N	418.880	5.506	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2OC(C)C)cc1	516682613	ZQQMCFPZYRFVLQ-IBGZPJMESA-N	421.541	5.171	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F	517456505	RTCPBAZUVVZPKQ-KBPBESRZSA-N	408.445	5.363	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)CCc3nc4cc(Cl)ccc4s3)n2)cc1	518600450	BNGPKAKNONRMIX-UHFFFAOYSA-N	424.938	5.516	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)CNc3ccccc3SCCC#N)c2)cs1	521730081	IQRZOSNJHNHZMT-UHFFFAOYSA-N	408.552	5.175	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C	523127343	AVPDYBFSDURBRH-UHFFFAOYSA-N	412.493	5.601	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)nc1-c1ccccc1	524816300	JBVLGZIIUPLDIP-QFIPXVFZSA-N	413.521	5.633	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)cc1	530330514	CWAYAYKFTIDNIF-HNNXBMFYSA-N	412.331	5.205	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](c1ccc(F)cc1)C(C)C	533703439	VSQSQPNGGGODQJ-JOCHJYFZSA-N	403.457	5.571	30	20	HKED	
Cc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)ccc1NC(=O)c1cccs1	535435342	HOWOJTPWBJFEIF-HXUWFJFHSA-N	403.507	5.084	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCc2cccs2)cc1	535822369	AYHBXCZTUJBJEB-UHFFFAOYSA-N	407.514	5.103	30	20	HKED	
Fc1ccc(-c2cnc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)o2)cc1	539426156	KSEAUDSIOMCNBQ-QGZVFWFLSA-N	418.312	5.893	30	20	HKED	
CC[C@H](C)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C	539790544	AMMCZTOHHBTCBP-HNNXBMFYSA-N	406.461	5.005	30	20	HKED	
CCCc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccccc1	541187590	CPOZMYXXMPXXNK-UHFFFAOYSA-N	411.509	5.018	30	20	HKED	
CC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F	541996700	NDFZLIDYAGDOJP-OAHLLOKOSA-N	416.456	5.205	30	20	HKED	
N#CCC1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1	545946233	UHWBHFRTAHNWDG-UHFFFAOYSA-N	415.902	5.165	30	20	HKED	
CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	548794263	BPJLHYLCWCTVBZ-UHFFFAOYSA-N	414.962	5.325	30	20	HKED	
CC(C)[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(C(C)(C)C)cc1	548823129	RKLZXQVPODJGSN-QHCPKHFHSA-N	418.585	5.343	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)N[C@H](CCCC#N)c3ccccc3)s2)cc1	550831604	XXPFTDXTQAUXOW-VGOFRKELSA-N	405.567	6.213	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cnc1C(F)(F)F	560033408	CZODBNLGHCZULM-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1	561150623	SRRVGXDZSBNMDK-GOSISDBHSA-N	418.518	5.748	30	20	HKED	
N#Cc1ccccc1Sc1ccc(-c2nc(Cn3cnc4ccccc43)no2)cc1	568155364	XLBKXJKHTYLGJM-UHFFFAOYSA-N	409.474	5.157	30	20	HKED	
CC(C)(NC(=O)CCCCOc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1	570472595	OOWGSXBISPARPH-UHFFFAOYSA-N	404.432	5.178	30	20	HKED	
CN(C)Cc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	583907205	CLIOEFOEEZIAKM-JOCHJYFZSA-N	403.913	5.309	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)n1	603987520	NIHPAPDEDWWFNK-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(OC)c1	604027155	KAMCOABVGLLYQD-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CCN(Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C)c1ccc(C#N)cc1	609193120	JZKLIWLZIOOXNQ-INIZCTEOSA-N	407.539	5.282	30	20	HKED	
Cc1ccccc1C1(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCOCC1	609435525	UTVKQALHMZMHRA-IBGZPJMESA-N	423.582	5.259	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Nc1ccccc1S[C@H](C)CC#N	609555888	KBBPETVKLSZPKY-HUUCEWRRSA-N	421.488	5.852	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N[C@@H](C#N)c3ccccc3Br)sc2c1	609593310	URSDTDQJSZEEJS-AWEZNQCLSA-N	419.731	5.620	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSC2CCOCC2)c1	609715733	JGVFOUIEESAJQR-UHFFFAOYSA-N	423.582	5.413	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CSc4ccccc43)cc2F)c1	609807625	FQBKNRQJWZETNL-FQEVSTJZSA-N	419.481	5.245	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2cc(Cl)ccc2OC(F)F)c(Cl)c1	611094972	KDHBHBROITTWIT-UHFFFAOYSA-N	405.615	5.050	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1OC(F)(F)F	612260799	ZYXJQJRFRVZMBD-UHFFFAOYSA-N	404.841	5.198	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)o1	613290284	BEXCKAOBUPQLBR-HXUWFJFHSA-N	418.456	5.479	30	20	HKED	
CCOc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	614470941	UPRQGAKPDBMNTI-MRXNPFEDSA-N	417.317	6.006	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	618758620	FMXWQQRPBSOPBX-OAQYLSRUSA-N	412.424	5.170	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(F)(c4ccccc4)CC3)cn2)c1	618981105	WWUZWICVYMGVRB-UHFFFAOYSA-N	416.456	5.238	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)CCCC2)c1nc(-c2c(F)cccc2F)cs1	620304242	LTQSNLSTAADLSV-GFCCVEGCSA-N	400.475	5.519	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C	620564746	JGUMGZQZTPDAGC-LLVKDONJSA-N	412.927	5.210	30	20	HKED	
O=C(Nc1cccnc1OCC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	622474507	VBRDWPMIFYGQCJ-UHFFFAOYSA-N	414.252	5.015	30	20	HKED	
O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	622571761	ILJJYUPOOHGKLT-UHFFFAOYSA-N	411.273	5.089	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)s2)cc1	642282100	LHHJKCZYOHDARC-HNNXBMFYSA-N	417.412	5.031	30	20	HKED	
O=C(NC[C@H]1CCCCC(F)(F)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	644112015	KMGWBCOWWJDZCW-WUHRBBMRSA-N	424.376	5.411	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc2c(F)cccc2c1	644650568	XDYUJPZVFNQNCH-VXGBXAGGSA-N	408.317	5.013	30	20	HKED	
C=C[C@@](C)(CCOC)c1nc(-c2cnc(Oc3ccc(Cl)c(CC)c3)cn2)no1	685343348	NMHSDAJRJBFQME-NRFANRHFSA-N	414.893	5.015	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1ccc(O)cc1	685548832	VFQDKAUXGBHQKJ-KKSFZXQISA-N	424.932	5.305	30	20	HKED	
N#C[C@H](C(=O)CCn1c2ccccc2c2ccccc21)c1nc2cc(F)ccc2s1	730422572	YUHDRIFMKNPVHA-GOSISDBHSA-N	413.477	5.810	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1	731061111	BGEHVSRAUBSATH-GFCCVEGCSA-N	423.321	5.041	30	20	HKED	
Cc1ccc(C)c(Oc2ccc(CNCc3ccc(N(C)CCC#N)cc3)cn2)c1	731449162	AKMQKOYPHJOQQQ-UHFFFAOYSA-N	400.526	5.130	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccccc1Br	733266647	LJCWNHZUEDAMSN-CQSZACIVSA-N	415.234	5.056	30	20	HKED	
C=CC[C@H](NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1ccncc1	734234041	FRTQUBJPCGMGEO-SFHVURJKSA-N	413.930	5.126	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccccc3OC3CCC3)c2)s1	740057356	DCTBMPFAAVRJEY-UHFFFAOYSA-N	417.534	5.217	30	20	HKED	
COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	740648326	YLMLYWXBDOOELP-QFIPXVFZSA-N	422.488	5.003	30	20	HKED	
COc1ccccc1-c1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1	741469349	QSSKPXBKLNBILJ-PGMHBOJBSA-N	409.441	5.105	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)cs1	742456735	RWBYGFXOHQXGKW-CQSZACIVSA-N	419.358	6.085	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(N[C@H](C)C(C)C)c2C)ccc1OC	743409688	OLQXCZQOFCJAMB-QUCCMNQESA-N	423.557	5.071	30	20	HKED	
Sc1nnc([C@@H]2CCCCO2)n1N=Cc1ccc(-c2cccc(Cl)c2)s1	743451901	KNKALBXJXNZRLB-HNNXBMFYSA-N	404.948	5.073	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1cnc(-c2ccc(C)cc2C)s1	747120188	DNGKUJMTFWZQQM-UHFFFAOYSA-N	423.563	5.312	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)c1C	750912134	CKVYMXUMSVVXLL-KHPPLWFESA-N	403.313	5.217	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCc2nc(-c3ccc(F)cc3)sc21	753142968	BYFWSOBUVRMJSZ-RVDMUPIBSA-N	419.506	5.680	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21	757797168	RBHSGGHXNQIEQC-JOCHJYFZSA-N	403.526	5.172	30	20	HKED	
CCCOc1cccc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	762993605	BZQVARZYRBKODS-MRXNPFEDSA-N	418.440	5.523	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2cc(Cl)cc3cccnc23)SC1=S	763108591	LEXXPOQYOBQYED-LICLKQGHSA-N	407.907	5.166	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(C2OCCO2)c1)c1ccc(C(F)(F)F)cc1	765052832	WWANWOBPSALYCJ-IBGZPJMESA-N	405.416	5.188	30	20	HKED	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	765590070	GVLXPXQPNFFKJA-XJKSGUPXSA-N	413.886	5.303	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1	768064010	AWDPVHFICGSTTK-OAQYLSRUSA-N	405.479	5.188	30	20	HKED	
CN(CCC#N)c1ccc(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1	770581503	MSSZNPJMQGPDOD-GDLZYMKVSA-N	409.599	5.230	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1	772034553	VPZNMTJLACUBCH-NRSPTQNISA-N	415.578	5.029	30	20	HKED	
C[C@@H](NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(OCC#N)cc1	776157103	PINSKTCCNVNDMD-OAQYLSRUSA-N	422.532	5.352	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1	780542959	XXXLELYIRXJRGE-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2O[C@H](C)C#N)s1	780576125	JCIWPCMKVQHAPD-ZBFHGGJFSA-N	407.499	5.015	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(C#N)cc3F)c2)c(F)c1	781107731	JYNNMLOIPLEQKR-JMQWPVDRSA-N	424.406	5.500	30	20	HKED	
Cc1cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)oc2cc1C	783076919	MLKCTFDHQBZYBH-MRXNPFEDSA-N	414.433	5.326	30	20	HKED	
N#C[C@@H](C(=O)C12CC(c3ccccc3)(C1)C2)c1nc(-c2c(F)cccc2F)cs1	791788870	VDFZPKGAFKSIBN-XGSULNKDSA-N	406.457	5.386	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nccc2ccccc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	792098683	DSAWFDGVXPZNTJ-YFVAEKQCSA-N	421.541	5.084	30	20	HKED	
CCCOc1ccc(CC(=O)[C@H](C#N)c2nccc3ccccc23)cc1OCCC	792101242	GGTPYFAQNFDHPU-NRFANRHFSA-N	402.494	5.231	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(O[C@H](C#N)CC)c1	793509141	KDMKBPDNTOYERF-INIZCTEOSA-N	423.900	5.168	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)cs1	794627316	ABVQFNNJIOOGON-CQSZACIVSA-N	403.290	5.372	30	20	HKED	
Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)cc1	796537157	IGKYASQGSOKWOR-UHFFFAOYSA-N	412.489	5.292	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccncc1	806820503	XLIBDMBHORGLJN-QHCPKHFHSA-N	403.551	5.140	30	20	HKED	
C#C[C@H](NC(=O)Nc1ccc(Sc2ncccn2)cc1C)c1ccc(Cl)cc1	810175211	GZCBQCLPEJUSIS-SFHVURJKSA-N	408.914	5.086	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915124567	PRUSMOLOACYFEQ-JOCHJYFZSA-N	400.507	5.109	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)OCc2csc(-c3ccc(C)o3)n2)cc1OC	915233793	FEUPXXRYQCARHQ-JXMROGBWSA-N	411.479	5.042	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C/c1ccc(Br)o1	915859982	AKLVYHYRLUYDGB-RMKNXTFCSA-N	424.254	5.061	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNc1ccc(C(F)(F)F)cn1	915918889	PORMOVZEAIHZEF-UHFFFAOYSA-N	414.218	5.347	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)CCC(=O)N2	916591905	ULZWHUOXNOXMMB-HXOBKFHXSA-N	424.504	5.109	30	20	HKED	
CCOc1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1	916954486	IIFARWLCGLOPFI-HRAATJIYSA-N	410.539	5.038	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917043310	JUEBILXZPFODOT-DOMZBBRYSA-N	420.481	5.813	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(CSc2nc(C)cs2)cc1	917524948	IWLCQMXJRQNMEE-UHFFFAOYSA-N	400.594	5.634	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3coc(C(C)C)n3)CCC2)cc1	1789453363	XTVXJMWOJVEZQF-HXUWFJFHSA-N	421.541	5.314	30	20	HKED	
CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	1831467564	RSRZXLIKGRYWLT-RDPSFJRHSA-N	423.601	5.008	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	25105497	WSLQGEMOTUMEBS-HMMYKYKNSA-N	419.484	5.458	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccc(C(C)(C)C#N)cc1	30847861	CFAKNFZIKBRZDE-UHFFFAOYSA-N	410.315	5.221	30	20	HKED	
CCCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2cc(Cl)ccc21	36662064	VAAQPNBEMDVZKT-UHFFFAOYSA-N	412.946	5.139	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1	41558014	PXOKRAMULFVDJK-AWEZNQCLSA-N	408.433	5.353	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc(O)cc3C2)cc1Cl	47565633	UDGQOTOSZKLOMM-QFIPXVFZSA-N	417.896	5.291	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1	47974653	QHJIAKMWIZJAQI-HNNXBMFYSA-N	407.857	5.113	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1	56745030	MLLTXBNDPDWQNH-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1	63402497	NPGZLXFHOBRXQA-LJQANCHMSA-N	421.541	5.060	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1CCN(Cc2cccs2)CC1	64251374	OKVACIIMWPPYTF-UHFFFAOYSA-N	424.035	5.073	30	20	HKED	
CC(C)[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	302942390	KHTCXNCSDSUEGR-JOCHJYFZSA-N	412.942	6.047	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1Cl	302967011	RIKGMENHJCUUDZ-OAHLLOKOSA-N	421.736	6.616	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2)n1	303007362	JBROBPSVKYHRCK-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
Cc1ccc2oc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)nc2c1	303546774	GXFWEDYIYHDNSB-OAHLLOKOSA-N	405.504	5.228	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1F	303989387	IFAUBEIOWABLOO-HNNXBMFYSA-N	413.518	5.457	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1	410346777	KUKWZTVTBHJAKW-QGZVFWFLSA-N	416.481	5.534	30	20	HKED	
C=CCCc1ccccc1NC(=O)Cn1c(-c2scnc2C)nc2ccccc21	410374226	SYVUXPQAJPSEBP-UHFFFAOYSA-N	402.523	5.226	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)[C@H]1OCCc2sccc21	429813296	QSBZVRJEIBLJHO-WAIKUNEKSA-N	418.518	5.609	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1	430607285	YPJDGRGYWQXOCA-UHFFFAOYSA-N	409.898	5.182	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2SCc2cscn2)s1	430611696	POZOZSOMDLHBHP-HNNXBMFYSA-N	413.593	5.679	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cccc(SCC#N)c3)s2)cc1	430691390	LZFKYODMMSGFBJ-CQSZACIVSA-N	423.563	5.234	30	20	HKED	
C[C@H](Cc1ccccc1Br)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431299146	WDGNBKIUWQNMMN-UZLBHIALSA-N	414.347	5.114	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl	435490130	NIMVKXSDLCBWKD-SNVBAGLBSA-N	419.330	5.328	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)n1	438115800	IAFGRQVMTGEVQX-LEWJYISDSA-N	402.523	5.422	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc(C(F)(F)F)cc1	442287088	AMJNTVWSNTWYOI-ROUUACIJSA-N	406.452	5.373	30	20	HKED	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1cccc(C#N)c1	442668035	BGEBENHWKFDIPF-HOTGVXAUSA-N	403.448	5.377	30	20	HKED	
C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1cccc(C#N)c1	442914356	SGZPKANIQVCBHR-IBGZPJMESA-N	417.582	5.037	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12	444184622	PDFXBQLEYBFQIV-KRWDZBQOSA-N	402.523	5.592	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CCCC1(C)C	444903242	XEUOAKBENNGFCJ-WVXBCFDCSA-N	424.610	5.734	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(Cc2ccc(F)cc2)no1	447404638	ULECIJBAVXEBKH-MRXNPFEDSA-N	414.440	5.637	30	20	HKED	
N#C[C@H]1N(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCC[C@]12CCCCO2	448273794	TXKGDFCBBQPTOU-ISKFKSNPSA-N	423.944	5.020	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)coc12	464416192	HACHJUGDTQQGKR-ZDUSSCGKSA-N	423.188	5.408	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)n1	466721773	GODWUXWTQIKJMC-LLVKDONJSA-N	405.310	5.780	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)co2)cc1	466773712	FFDOPZZKKREZNF-UHFFFAOYSA-N	424.460	5.636	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)o1	466850123	XRFSVAIUHAQRLU-NRFANRHFSA-N	418.518	5.426	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	467615945	AKKSGRKPYHDZFT-SNVBAGLBSA-N	415.334	5.593	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4cc(Cl)cc(Cl)c43)ccc21	469209187	JBNIMZDYCROPKR-LJQANCHMSA-N	414.336	5.676	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(OC(C)(C)C)CC1	469688541	BSYTZEPKNKRNOO-UHFFFAOYSA-N	421.541	5.257	30	20	HKED	
Cc1csc(-c2cccc(NCC(=O)N(CCC#N)c3cccc(C)c3C)c2)n1	470529034	WUZWCOABWNQCEJ-UHFFFAOYSA-N	404.539	5.094	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	471166916	YZCOLXNFLIOWTN-UHFFFAOYSA-N	420.488	5.451	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(N4CCCCC4)c4ncccc34)on2)c1	471430399	CZGZSGGDBBABGQ-UHFFFAOYSA-N	423.476	5.004	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2cccs2)C1	473798403	YEPGQWKCZDTWIQ-OAQYLSRUSA-N	419.506	5.326	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1	475547740	HYLGBLSLBNDBRS-UHFFFAOYSA-N	420.601	5.104	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1	475581884	QRQVKCJBVQVWEY-NRFANRHFSA-N	416.924	5.936	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1	476666804	WHFBKXJUILSHAE-LJQANCHMSA-N	415.562	5.147	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc3c(s2)CCCC3)cc1	479658041	JQHGSFVZDJYMRS-UHFFFAOYSA-N	419.575	5.116	30	20	HKED	
C=CCn1c(SCc2nc([C@@H](C)SCC)no2)nnc1-c1cccc(Cl)c1	481386161	HCKZVDRYMQBXMG-GFCCVEGCSA-N	421.979	5.274	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccccc1)N[C@H](c1ccc(F)cc1)C(F)(F)F	485223987	BOJDXFZUPMUIPA-HUUCEWRRSA-N	408.317	5.422	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	485465889	NYGJAALLQBAHPP-SFHVURJKSA-N	404.535	5.430	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](CCCC#N)c3ccccc3)s2)cc1	487320463	AHFDENSCLXTBFA-NRFANRHFSA-N	419.550	5.682	30	20	HKED	
COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	488332212	NFAOGRIYADASAB-DNVCBOLYSA-N	417.962	5.586	30	20	HKED	
C=C(C)Cn1c(SCc2c(Cl)ccc3cccnc23)nnc1-c1ccncc1	489431624	GTVJTRCPLARVHX-UHFFFAOYSA-N	407.930	5.410	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2cccc(C#N)c2)cc1	498484580	BFRVXOBCZRKNMF-UHFFFAOYSA-N	423.516	5.306	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CSc3ccc(C#N)cc3)s2)cc1	502498321	VQEXFFHIFJDLQU-OAHLLOKOSA-N	407.564	5.268	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)sc2c1CCCC2	502503511	VBZZPXIHOFMQOL-UHFFFAOYSA-N	401.463	5.153	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccn(-c2ccccc2F)n1	502746013	ATBWWCMFYZGHCO-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
Cc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1OCC(F)(F)F	503462818	OMMJRUROBDAOLM-UHFFFAOYSA-N	415.415	5.129	30	20	HKED	
C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503955857	NCKIWUIUOOEIQC-LJQANCHMSA-N	423.516	5.032	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)cc1	505118392	CNICFYQZFWNIGQ-HSZRJFAPSA-N	418.880	5.218	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)nc(C)n1	505304465	HSHVYQCVUNHAKZ-IBGZPJMESA-N	412.880	5.452	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C#N)cc1	505326965	YFIORJRDBHKKIJ-KSFYIVLOSA-N	414.896	5.750	30	20	HKED	
CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(COc2ccccc2C#N)o1	505921962	XKYCUAORNCIQCY-HXUWFJFHSA-N	404.466	5.010	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	508188764	AKCZDMUAQPPDFQ-KSFYIVLOSA-N	419.912	5.454	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1cccs1)C1CC1	510539074	OZJAMSLCLDJLNN-QFIPXVFZSA-N	403.507	5.993	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1	512566724	VASKGEKGSGQOKH-MHZLTWQESA-N	410.517	5.282	30	20	HKED	
CC(=O)Nc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1Cl	512920245	QTWBRBBUAPHJNY-UHFFFAOYSA-N	405.885	5.361	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccccc2F)C2CC2)c1	513108764	SARBNBXPGKZVJR-UHFFFAOYSA-N	400.453	5.081	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2)nc2ccccc21	513660610	MYXYZRVGDNYXJY-IBGZPJMESA-N	421.456	5.389	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(CN(CCC#N)CCC(C)C)cs1	513725553	PNCSTBYJHODHEV-UHFFFAOYSA-N	404.967	5.243	30	20	HKED	
CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	518255575	FMURVNUTKOPXOP-QGZVFWFLSA-N	424.570	5.387	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](CN2CCCC2)c2ccccc2)c1	518772465	DIKVIZBEHRRFMX-MHZLTWQESA-N	411.549	5.064	30	20	HKED	
COc1cc(C(=O)N(C)C2(C#N)CCC2)ccc1OCc1ccc(Cl)cc1Cl	519108959	YZBJTKUFBDHTRS-UHFFFAOYSA-N	419.308	5.099	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(Cl)sc4[nH]3)n2)cc1	519671484	AVYQBICODQEGEZ-ZDUSSCGKSA-N	413.911	5.505	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1C	520715192	LJPIGWYIMOTDBB-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc(Cl)s2)cc1OCC	520951919	WBLLCVSEKACNRB-UHFFFAOYSA-N	416.768	5.417	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(C)c2c1	521259752	QHLMGMUSXKLETA-HOCLYGCPSA-N	423.538	5.884	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[nH]c12	524034289	VTDJOKVZVASASL-KRWDZBQOSA-N	411.421	5.013	30	20	HKED	
Cc1cc(C)c(C#N)c(SCc2ncc(-c3ccc(Br)cc3)o2)n1	525109546	NTBCMNCZNSHLIM-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
C=CCn1c(SCc2ncc(CC)o2)nc2cc(-c3ccccc3)sc2c1=O	525200436	RIXYMEWMTLRYGN-UHFFFAOYSA-N	409.536	5.154	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1	530500097	QDIHTYLXCWVYMP-UHFFFAOYSA-N	418.484	5.812	30	20	HKED	
CC[C@H](c1nnc(S[C@H](C)c2ccc(C#N)cc2)n1-c1ccc(OC)cc1)N(C)C	531409033	GPGGBGXCJBZGPU-IIBYNOLFSA-N	421.570	5.014	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C1CC1	535711351	AVEOIIHUENWVAC-MRXNPFEDSA-N	416.550	6.007	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](Cc3ccccc3Cl)c3ccccc3)o2)cc1	539309851	BFUOAWZRZPKVFF-QFIPXVFZSA-N	414.896	5.335	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)cc1	539633225	QQCJVWILFJTFKJ-INIZCTEOSA-N	416.481	5.087	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	541105333	VQRLVRIKEBKGPS-AWEZNQCLSA-N	419.872	5.368	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N2CCC(CC#N)CC2)nc1-c1ccc(Cl)cc1	543780569	MLNADXTWJXAAES-ZDUSSCGKSA-N	402.951	5.168	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1Cl	564384768	XSOOXWGGAPYURA-OAQYLSRUSA-N	408.933	5.176	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1	570609116	SNJXHZGMRBEISW-HSZRJFAPSA-N	401.510	5.128	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	589261787	RYAIRIWBXAHBCX-GOSISDBHSA-N	416.546	5.740	30	20	HKED	
O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Cl)cc1C(F)(F)F	590263521	YGOUTSLJUQOPCV-UHFFFAOYSA-N	421.721	5.318	30	20	HKED	
C=CCN(C(=O)[C@@H](C)Oc1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603459386	VVRRZOJWAQWRLT-MRXNPFEDSA-N	423.494	5.013	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1	603674516	JFAPHRAMZZRTPW-UHFFFAOYSA-N	421.475	5.775	30	20	HKED	
N#Cc1c(SCc2nc(-c3ccc(F)cc3)no2)nc2c(c1-c1ccco1)CCC2	603818365	DNTWFNJZOODIAD-UHFFFAOYSA-N	418.453	5.183	30	20	HKED	
Cc1cc(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)n2c(nc3ccccc32)c1C#N	603862733	XPHNNKFKEZYBKZ-INIZCTEOSA-N	424.508	5.125	30	20	HKED	
N#Cc1cccc(COc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1	603975550	ABWFXBUIWMXBAO-UHFFFAOYSA-N	414.486	5.091	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1	603977269	PDXCHNDIGZRANU-HXUWFJFHSA-N	414.509	5.359	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cccc3ccccc23)cc1	604003367	BFYIJJGFQTWGAD-UHFFFAOYSA-N	406.485	5.666	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)o1	604365088	BJTHWIAWKFNJOM-UHFFFAOYSA-N	401.466	5.757	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(-c3nc(C)cs3)c2)cc1	606770391	KIXOJHSXSQDITR-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1	609377555	XJOOAOSZAAPHSF-KRWDZBQOSA-N	422.550	5.160	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1	609384750	OSSVPOJDSNLWSP-SFHVURJKSA-N	417.534	5.781	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1ccc(Cl)cc1	609414760	XKKREDMYIUCLPL-QGZVFWFLSA-N	419.699	5.136	30	20	HKED	
C[C@@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1cccc(C#N)c1	610404551	VRKHIECCIMVHTF-OAHLLOKOSA-N	401.432	5.059	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1	615024787	SAOVDCTZKNBDMO-IRXDYDNUSA-N	405.527	5.388	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccc(Oc4cccnc4)cc3)no2)cc1	615132036	XDZPIIHUJNAWFL-JOCHJYFZSA-N	409.449	5.137	30	20	HKED	
Cc1cc(C)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1CO	615894544	ARBYCCQTMGZOFK-UHFFFAOYSA-N	406.869	5.365	30	20	HKED	
Cn1c(COc2ccccc2Cl)nnc1S[C@H](C#N)c1ccc(Cl)cc1	619863808	GQECDVPZULWNPJ-MRXNPFEDSA-N	405.310	5.058	30	20	HKED	
O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(F)cc1C(F)(F)F	622545637	RPLVYDFXZAZQEA-UHFFFAOYSA-N	423.303	5.464	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2cc1OC(F)F)c1nc2cc(F)ccc2s1	677791665	PVLNKVZPLQCUSB-HNNXBMFYSA-N	412.392	5.680	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2CCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	685782510	CLQBWDFUWUOHCM-SFHVURJKSA-N	417.534	5.423	30	20	HKED	
N#C[C@H](C(=O)c1cncnc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	685784325	ZALUVCHAHVZWAQ-CQSZACIVSA-N	424.407	5.262	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cc(Cl)sc1Cl	725832263	AMKADJIKLITKQD-UHFFFAOYSA-N	405.232	5.853	30	20	HKED	
CN(C)C1CCN(c2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2F)CC1	728226768	YNKIQBRBTSVDAZ-UHFFFAOYSA-N	410.320	5.119	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)C(C)C)c1	728247823	IOFCERCWYZVQAF-RUZDIDTESA-N	409.485	5.177	30	20	HKED	
CC(=NNc1ccc(Br)cc1C)c1sc(-c2cccnc2)nc1C	728433000	MQNREDOQYFXTIG-UHFFFAOYSA-N	401.333	5.421	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(O[C@@H](C)C#N)cc2)CC3)cc1	728698637	PBOYOXNGFBTGLO-HUCUOGIVSA-N	400.503	5.622	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1	728700167	YJKZFCZTDBYTRF-IQGJIOQQSA-N	404.466	5.453	30	20	HKED	
COc1cccc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCCC2)c1	731166578	SJOVDDKTYVJFBE-VWLOTQADSA-N	410.517	5.801	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Cl)cc2Cl)ccc1OC	733615588	IGBUNWJCMPZDDD-AWEZNQCLSA-N	408.285	5.005	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)c1ccncc1	734237526	PZOVNWVOQNLRJL-NRFANRHFSA-N	422.912	5.370	30	20	HKED	
C#CC[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccn1	735210611	BKJLUXPLQWSDBI-QFIPXVFZSA-N	402.837	5.320	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC(c2cccs2)c2cccs2)c1	738478627	TYZCRAAIPCZQHA-INIZCTEOSA-N	411.552	5.079	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1	739154802	FIGYCJUECULHQC-KBXCAEBGSA-N	414.452	6.199	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	739156174	LMTINSSJFZEFAS-DOMZBBRYSA-N	421.369	5.505	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)/C=C/c3csc(-c4ccccn4)n3)c2C)c1	741840897	BFIRLIFKFLYMAF-MDZDMXLPSA-N	400.507	5.212	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)cs1	742537639	MYHDDAKPEHZFRA-HSZRJFAPSA-N	409.514	6.026	30	20	HKED	
CCOc1cccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	742990869	LBPKLYPANPIJJJ-UHFFFAOYSA-N	419.525	5.808	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1C(F)(F)F	744029525	UWMFUFDFJNSYEK-GXTWGEPZSA-N	408.807	5.200	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Br)ccc2C)cc1	744032560	GXWWOCIXLRGQMB-DJJJIMSYSA-N	413.315	5.232	30	20	HKED	
O=C1/C(=C\c2ccc(N3CCOCC3)cc2)CCc2cc(SC(F)F)ccc21	750917682	WBPURSSULGVRGH-LGMDPLHJSA-N	401.478	5.050	30	20	HKED	
C[C@H](C#N)CN(Cn1nc(-c2ccccc2)n([C@H](C)c2ccccc2)c1=S)C1CC1	753988355	PIRGEJFHIZOKEA-RTBURBONSA-N	417.582	5.272	30	20	HKED	
CCOc1cc(Br)c(NCc2ccc(O[C@@H](C)C#N)cc2)cc1OCC	767409812	PUGUQDNVLHNUDP-AWEZNQCLSA-N	419.319	5.149	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1	767999942	LSRCRSFIWZLDLT-UHFFFAOYSA-N	410.420	5.097	30	20	HKED	
CN1C(=O)CCc2cc(/C=C(/C(=O)c3ccccc3)c3nc4ccccc4s3)ccc21	774122905	ZGNXFBWXFDVESM-SILNSSARSA-N	424.525	5.629	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N(C)C(=O)OCC)cc1	775555748	PIBUNBNTWFROGI-UHFFFAOYSA-N	407.923	5.214	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)OCc1ccc(C2(C#N)CC2)cc1	790793788	KASOPBGTYATAJE-UHFFFAOYSA-N	420.509	5.265	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(C(F)(F)F)cnc2Cl)ccc1Oc1ccccc1	791007982	PTUSDFKLGMLNSW-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CC(C)(C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cc(F)cc(C#N)c1	797088819	PFJLDKJXWPNMJP-XMMPIXPASA-N	416.496	5.280	30	20	HKED	
CC(/C=C\C(=O)c1ccc(C(F)(F)F)nc1O)=C/c1ccccc1C(F)(F)F	799891275	MSROMZBRCYRUON-CAVDHDHCSA-N	401.306	5.667	30	20	HKED	
CC(/C=C/C(=O)c1ccc(N2CCNC2=O)cc1)=C\c1ccccc1C(F)(F)F	799892791	PJKLSPXXSPQPFW-ZDQSRFTLSA-N	400.400	5.077	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	804559188	SISFOFVMCCVCHW-UHFFFAOYSA-N	412.534	5.030	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2o1)c1csc(-c2cc(F)ccc2F)n1	810535616	KLHQYYPHJWGNPP-AWEZNQCLSA-N	423.444	5.384	30	20	HKED	
CCC[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccn1	810536522	MKTDWYNMGIDLJZ-KBPBESRZSA-N	403.429	5.470	30	20	HKED	
N#Cc1ccsc1NC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12	823840945	KJTJMHBCYCTXSD-UHFFFAOYSA-N	412.499	5.697	30	20	HKED	
Cc1noc(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	915102638	BOZVXRODYAKSTJ-HNNXBMFYSA-N	420.321	5.531	30	20	HKED	
COc1cccc(-c2nc(/C=C/C(=O)c3sccc3Br)cs2)c1	915113769	UNNGAHRSAJUIQQ-AATRIKPKSA-N	406.326	5.539	30	20	HKED	
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cc(F)ccc1F	916134455	JQNNQIBKRSTHMR-DHZHZOJOSA-N	401.416	5.168	30	20	HKED	
Cc1cccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)c(Cl)c12	916885183	OZGWQKPXXFXNET-CYBMUJFWSA-N	403.290	5.478	30	20	HKED	
Cc1cc(Cl)ccc1OCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917043796	OPMMVQJKLYRLBE-CYBMUJFWSA-N	424.831	5.532	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	920113977	WEIHEMDWWVGKFZ-WIYYLYMNSA-N	402.519	5.505	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	921131569	LJVFECITNFOESH-XHDPSFHLSA-N	406.404	5.509	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(Cl)s4)CCC3)cc2)C1	1785806753	DNUILCHHADSVED-UHFFFAOYSA-N	414.958	5.044	30	20	HKED	
C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc2ccccc2c1Cl	1797464500	FJYQLBSTJNCQAJ-LVQVYYBASA-N	416.974	5.019	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1	1808942560	CALGFURRJMWJBE-UHFFFAOYSA-N	402.623	5.180	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[C@H]2C)CC1	1829066588	KVYHAFMYKQVXOC-BAGYTPMASA-N	402.623	5.035	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1C(F)(F)F	56652406	OCSNTXLKRNMWQI-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
COc1ccc(-c2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cs2)c(OC)c1	63751224	FADJAUJUBSGJHG-UHFFFAOYSA-N	407.539	5.110	30	20	HKED	
COc1cccc(CS[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	64375910	GBGFAGAJKQYFAS-CQSZACIVSA-N	400.569	5.158	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1	78720152	OSWUYSIJCFROST-KRWDZBQOSA-N	421.566	5.852	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2ccc(C#N)cc2F)n1Cc1ccco1	217401900	DOGOKRRVBSKASX-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
COc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCC2)cc1OCCCC#N	237345240	DCPGMIRTZNYNBE-UHFFFAOYSA-N	418.459	5.566	30	20	HKED	
CN(C)C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	303808779	KUECQHLALQEEIJ-KRWDZBQOSA-N	424.913	5.047	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c(Cl)c1	426160936	KZOPKCGTLXINBF-SFHVURJKSA-N	407.861	5.021	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C1CC1	429641817	WQTFNAQTBLZWOA-AWEZNQCLSA-N	403.404	5.654	30	20	HKED	
Cc1cccc(Oc2cc(CNC(=O)c3cccc(SCC#N)c3)ccn2)c1C	430598338	CQTBOZAWJDVXAZ-UHFFFAOYSA-N	403.507	5.036	30	20	HKED	
Cc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1	431166150	HRNKPYMWNDIYJL-UHFFFAOYSA-N	420.503	5.190	30	20	HKED	
C[C@H]1C[C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1Cc1ccccc1	431215768	ICMWIZKCSHZFBX-QKNQBKEWSA-N	422.598	5.255	30	20	HKED	
C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N([C@H](CCCC#N)c2ccccc2)C1=O	432025072	HMERLTZVUCFDSX-NQIIRXRSSA-N	416.308	5.196	30	20	HKED	
CC(C)(C#N)CCCCS(=O)(=O)Cc1csc(Cc2ccc(Cl)cc2)n1	436105921	WJGGDIAQENNTGI-UHFFFAOYSA-N	410.992	5.022	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C	437475943	CZRIPIRKCASKOC-DJJJIMSYSA-N	423.340	5.483	30	20	HKED	
COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1	438045385	BEDCJVIGBIOZQX-QUCCMNQESA-N	423.582	5.434	30	20	HKED	
C[C@H](Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1)C(=O)N(CCC#N)c1ccccc1	439573373	SELIAYMUHRKGHF-CZSZKKDXSA-N	419.569	5.529	30	20	HKED	
CCCc1c(NC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cnn1-c1cccc(C#N)c1	439684049	VWWWKTMOMBCPFC-WIYYLYMNSA-N	413.525	5.106	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(F)cc1F	445794850	MDTAETQPACADOR-UHFFFAOYSA-N	400.372	5.171	30	20	HKED	
C=CCOc1ccc(CNc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1OC	446894901	SNTWVHWPAFDNCV-UHFFFAOYSA-N	418.493	5.133	30	20	HKED	
COc1cc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC	447237415	ISOCWDQJGDFGPO-INIZCTEOSA-N	412.898	5.279	30	20	HKED	
Cc1cc(C)c(Br)c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1	461106030	COYPKKKSYWZUQR-OAHLLOKOSA-N	411.221	5.079	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)CC(=O)c1ccccc1F	463102818	BUBDYYZORQZTFC-INIZCTEOSA-N	417.440	5.041	30	20	HKED	
FC(F)Oc1ccccc1[C@@H](NCc1cncc(C(F)(F)F)c1)C(F)(F)F	463160604	KPHHOUOTWZXVHP-CYBMUJFWSA-N	400.269	5.095	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	464180557	FYPVCQVNFZZIBW-QMMMGPOBSA-N	401.822	5.224	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@H](C#N)c2ccccc2F)cs1	464397857	JRGGNUKEFGIXNE-GOSISDBHSA-N	411.477	5.055	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1	465390587	YRBFYGPRNRRHFP-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)ccc1Cl	468992051	NHGPCASQJLQOJQ-CQSZACIVSA-N	402.325	5.749	30	20	HKED	
O=C(c1ccc(F)cc1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469768430	KPKOEXJRKQYSKT-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1	473639003	HDVDZVYQZHGWJD-ADSBAMQRSA-N	416.546	5.049	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C[C@@H](CC#N)c3ccccc3)s2)cc1	475781889	PELSVEOJJUQGFA-LAUBAEHRSA-N	403.551	5.692	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1ncc(C(C)(C)C)o1	476503640	ITDXUOHFUHTIDZ-CQSZACIVSA-N	416.522	5.321	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)csc1Br	476545810	WTHIZDXZXRPCGW-LLVKDONJSA-N	404.116	5.121	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	478900001	OROASHXHGRUURU-UHFFFAOYSA-N	413.399	5.722	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)NCC(C)(C)CCC#N	480267552	GOKGZULHRPUTCB-UHFFFAOYSA-N	410.518	5.862	30	20	HKED	
COc1ccc(C(C)(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	481511311	SNHJITSQLRONMY-UHFFFAOYSA-N	414.505	5.371	30	20	HKED	
CCCOc1nc(C)ccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	482588124	PBJAKGZIBZRVHB-CQSZACIVSA-N	413.449	5.071	30	20	HKED	
N#C[C@@H](C(=O)c1sc(C2CC2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1	483461160	ZVBLJOCOFQCPLT-OAHLLOKOSA-N	413.424	5.591	30	20	HKED	
N#Cc1ccc(NC(=O)CCSc2nnc(-c3cc4ccccc4o3)o2)cc1Cl	484729523	SRAWYCSJSYFNLO-UHFFFAOYSA-N	424.869	5.129	30	20	HKED	
COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	488312844	LUVDCLLIXMOTKI-BEFAXECRSA-N	417.962	5.443	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3Cl)o2)cc1	489793421	UTRMJJFHOYPXOT-ZDUSSCGKSA-N	415.902	5.074	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(CC#N)c3ccccc3)cc12	497352696	QUZTYDYERDSNKE-UHFFFAOYSA-N	406.898	5.219	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1	498449554	XBFBABNSTHLSJO-UHFFFAOYSA-N	419.550	5.521	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccccc1Br)c1c(Cl)cccc1Cl	499867228	ZYFHCWGSNSSXMM-OAHLLOKOSA-N	412.114	5.070	30	20	HKED	
COCc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	502234205	PNVNENOHUDVCJN-OAQYLSRUSA-N	405.885	5.786	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)c1c[nH]c2ncccc12	504387404	JCDIJVSSQMYWCY-GFCCVEGCSA-N	418.444	5.271	30	20	HKED	
COCc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)sc2cccc(F)c12	505356722	ZPETTZFMQGHJED-AWEZNQCLSA-N	423.296	5.488	30	20	HKED	
N#Cc1cccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	505449838	VIGAQNZJDDMSMG-HNNXBMFYSA-N	413.289	5.234	30	20	HKED	
N#C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1	505965238	IEFALYJXHMVWLT-GOSISDBHSA-N	414.292	5.352	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1C	510858480	YMHODVPULLIRFF-RUZDIDTESA-N	411.505	6.336	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1	511087593	ZFMUXJASUFSYMB-KRWDZBQOSA-N	400.482	5.310	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1	514109697	SVOTYDUGLSUENC-DVECYGJZSA-N	408.517	5.380	30	20	HKED	
CCN(CC)C(=O)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1Cl	514640160	LPDRXYKWWIWQPT-UHFFFAOYSA-N	409.839	5.325	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC	515321793	CXVZFQXTWXIEOS-UHFFFAOYSA-N	404.919	5.202	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	517466790	VDOUCFLIGLAWNF-YJYMSZOUSA-N	408.304	5.217	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1)c1ccccc1	517669717	IOVFLBCFNMLKMR-FQEVSTJZSA-N	413.521	5.919	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCOc2c(Cl)cccc21	518754491	OSRVUMGLEMGGST-CJNGLKHVSA-N	401.919	5.380	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	520681778	YJWPKUKYTQSKEV-JOCHJYFZSA-N	424.472	5.707	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(F)cc1Cl	520837053	IMYQJKWHKLJNLJ-UHFFFAOYSA-N	420.790	5.895	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1Cl	521815221	RPEIIJMSMHVTHW-SFHVURJKSA-N	420.940	6.008	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1	522786928	XBOKNPBVFPOOAD-UHFFFAOYSA-N	402.498	5.508	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)c1ccc(Br)cc1	522794756	SHHQLTHDEJAKLW-FQEVSTJZSA-N	406.283	5.187	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	524389906	GJJKXNHNVMBBAU-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)c2C#N)C1	534354507	JCZJYPDQIGWWHP-CYBMUJFWSA-N	407.926	5.712	30	20	HKED	
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(CC#N)C2CCCC2)cs1	535966076	VBDIHRNXZWMDTK-UHFFFAOYSA-N	423.369	5.403	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)nc(-c2ccc(Cl)cc2)n1	536180364	URBYLUCXALSBRI-HNNXBMFYSA-N	404.882	5.205	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCCC34CCCCC4)c2)cc1	536279123	BZBRFSZDIVKYGU-UHFFFAOYSA-N	403.526	5.662	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1	536291854	ZBOLQHXAAWWKKX-HSZRJFAPSA-N	403.526	5.154	30	20	HKED	
C[C@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1	537289399	VXAAWEYUVLQPIR-HJPURHCSSA-N	424.953	5.055	30	20	HKED	
COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)ccc1OCc1ccncc1	539608634	VZNQFGARHUBOAA-IAGOWNOFSA-N	405.473	5.092	30	20	HKED	
C=CCCOCCCCC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21	540494610	FIWRPNIHBGGACK-QGZVFWFLSA-N	412.393	5.207	30	20	HKED	
Cn1ccc([C@@H](NCc2ccc(-c3ccccc3C#N)cc2)c2ccc(Cl)cc2)n1	542704928	QZRFAKQUUFDAHX-VWLOTQADSA-N	412.924	5.491	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543896395	CTGUIPDZZDQXEV-HOCLYGCPSA-N	405.523	5.189	30	20	HKED	
CCCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1ccccc1	544029860	QCBVYIZITYUJQT-UHFFFAOYSA-N	423.476	5.136	30	20	HKED	
N#Cc1ccc(/C=C\c2nc(Cc3nc(-c4c(F)cccc4F)cs3)no2)cc1	547074906	ISNDIMVUGPQUTR-HJWRWDBZSA-N	406.417	5.104	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	549375170	GTMXFOFUEKYXOR-UHFFFAOYSA-N	400.457	5.264	30	20	HKED	
C[C@](C#N)(NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C1CCCCC1	550351284	JVFCEWSWNSQKCA-HXUWFJFHSA-N	421.488	5.350	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)N[C@@H](CCCC#N)c3ccccc3)s2)cc1	550831605	XXPFTDXTQAUXOW-VGSWGCGISA-N	405.567	6.213	30	20	HKED	
C=CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1F	551596905	VUNGOMVMDSNCNY-UHFFFAOYSA-N	400.803	5.125	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl	554446093	BXWWYUWCUORJLX-UHFFFAOYSA-N	414.859	5.746	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCC(=O)c3ccccc32)cc1	555784983	BSZAXLCNGORHJA-QHCPKHFHSA-N	410.473	5.030	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@](C)(OC)CC1	566397864	LGYKQFOMQZCNAL-KBMIEXCESA-N	420.557	5.153	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[C@H]1[C@@H]1CCCO1	568690564	FGLUUFLNOXFDPH-SFTDATJTSA-N	410.901	5.034	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c1C	569504415	ZYOGKDULSQLCDE-UHFFFAOYSA-N	423.557	5.252	30	20	HKED	
C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(Oc2cccnc2)cc1	579394884	XGCXQEFODLSEHJ-INIZCTEOSA-N	403.457	5.040	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCSc4c(F)cccc43)cc2)ccn1	582755626	DOUWAYWXULHEOS-HXUWFJFHSA-N	420.469	5.243	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	592974167	PDLJUKMFWITRMU-LBPRGKRZSA-N	415.515	5.280	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3sc(-c4ccccc4)cc3C#N)cs2)cc1	603968074	KHTQVZLNHJMZBD-UHFFFAOYSA-N	415.543	5.900	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	609377154	PGKWHLPVCXDXAW-OAHLLOKOSA-N	420.513	5.004	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2cccs2)c1	609427731	GWEKWIFHXQDTER-INIZCTEOSA-N	408.548	5.974	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccco3)cc2)cc1	609497962	ZCMLZHAQGIGYET-VWLOTQADSA-N	408.457	5.657	30	20	HKED	
N#Cc1ccccc1OC1CCC(NCc2ccccc2OCc2cccnc2)CC1	609544844	LIKJFHLQOIAOKP-UHFFFAOYSA-N	413.521	5.012	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1	609807794	PPACWMMNHMPLNF-HSZRJFAPSA-N	415.518	5.673	30	20	HKED	
CCOC(=O)CCc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	610047709	CRFBSMWIBARBEO-UHFFFAOYSA-N	414.461	5.099	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCCCc1ccc(Cl)cc1	610137435	IYZWKMFACONGQC-MRXNPFEDSA-N	419.015	5.896	30	20	HKED	
C[C@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1cccc(C#N)c1	610345296	ZUXGKAOGPSERRO-SJCJKPOMSA-N	402.338	5.281	30	20	HKED	
C[C@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1cccc(C#N)c1	610345299	ZUXGKAOGPSERRO-YVEFUNNKSA-N	402.338	5.281	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)[C@H](C)c3ccc(Br)s3)c2C#N)C1	610387546	FVOCBHUZFRJXKA-VHSXEESVSA-N	409.374	5.311	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)N[C@@H](C)c1cccc(C#N)c1	610750130	MFDBKAQCCKOEDS-KRWDZBQOSA-N	405.523	5.101	30	20	HKED	
O=C(c1cc(F)c(Cl)cc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618300841	GKEBZSOIDPYMKW-RNFRBKRXSA-N	412.132	5.335	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)[nH]n1)c1nc2cc(C(F)(F)F)ccc2s1	642282233	XAKFPFRXWOLVSR-ZDUSSCGKSA-N	412.396	5.195	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CC=C(c2c[nH]c3ncccc23)CC1	642479611	BCBFCOHWYNVTHM-UHFFFAOYSA-N	418.500	5.284	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccccc1	645077615	BYNHHZFHUISPKQ-HNNXBMFYSA-N	421.501	5.482	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	727628577	NZZLHCZMLIWSEH-QGZVFWFLSA-N	416.424	5.518	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)c(C)n1-c1ccc(C#N)cc1	728268415	NDJLCFWTCCPSPP-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)cc1	728767083	UNUQRDADOUADLC-ROUUACIJSA-N	414.452	6.031	30	20	HKED	
CC(C)[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1	728767261	YYTCATHTQWWVQV-SJORKVTESA-N	403.309	5.471	30	20	HKED	
N#CCOc1ccc(CNCc2ccc(-c3ccccc3Br)s2)cc1	729685401	RBQYFAKNQGGMJT-UHFFFAOYSA-N	413.340	5.370	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1c[nH]c2cc(Br)ccc12	729936922	JBPJYBHIWLDVDT-FNORWQNLSA-N	410.296	5.345	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1nc2ccccc2o1	730399171	VZGJDCUAYYHOOL-KSFYIVLOSA-N	420.440	5.816	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730417682	PKBQRNBXVNYVPP-KOLCDFICSA-N	409.269	5.386	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)NCc3ccc(OCC#N)cc3)c(C)c2)n1	731282162	LEPQHOLSFTWITQ-UHFFFAOYSA-N	424.551	5.135	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)cc1F	732434818	HIKTZJKSTCQQLU-LBPRGKRZSA-N	422.323	5.162	30	20	HKED	
C#CCN(C(=O)Nc1ccccc1CC)[C@@H]1CCOc2ccc(Br)cc21	733617691	KVEYRUFEHUONEU-LJQANCHMSA-N	413.315	5.002	30	20	HKED	
N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	734082912	INYRRPFKVPRCFG-HNNXBMFYSA-N	419.453	5.192	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccncc1	734459159	FOCLHPSWMUBDOK-IBGZPJMESA-N	413.399	5.335	30	20	HKED	
C=C(Cl)CNC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	736968774	JCUFDVIJSXLNGZ-UHFFFAOYSA-N	418.280	5.448	30	20	HKED	
N#CCOc1ccc(CNC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	739007676	YXBZPHZDVIDWRD-HXUWFJFHSA-N	417.431	5.045	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cnc2ccsc2c1	739411113	HEOJRROQAQMCBG-UHFFFAOYSA-N	414.416	5.003	30	20	HKED	
CCOc1ccc(N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	739619163	SUXHCMHAEBDQLZ-UHFFFAOYSA-N	406.869	5.679	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3cc4cc(F)ccc4o3)SC2=S)cc1Cl	743281958	HXKYNPRFUAVCGM-CAOOACKPSA-N	414.870	5.503	30	20	HKED	
C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1sc(-c2ccccc2Br)nc1C	744319287	DUDUUYXCRYEWOU-KBPBESRZSA-N	424.360	5.466	30	20	HKED	
COc1ccc(C)cc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O	744711174	PQWGGJDXCDSCOI-UHFFFAOYSA-N	423.925	5.286	30	20	HKED	
C=CCc1cc(/C=C(\Cl)c2nc(O)c3ccc(Cl)cc3n2)cc(OC)c1O	747063633	OUUHXTBTJIKKLQ-NVNXTCNLSA-N	403.265	5.168	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1	751099145	WBOQLLSXQUXUNR-ZJSXRUAMSA-N	403.526	5.119	30	20	HKED	
COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1F	755608892	AZJUOAWESGCWOQ-SPQRHKFCSA-N	406.482	5.546	30	20	HKED	
CC(=O)N(c1nc(CN(CCC#N)CC(C)C)cs1)c1c(C)cc(C)cc1Cl	755670291	PCZCLJYNXWAJHX-UHFFFAOYSA-N	418.994	5.470	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N	758871560	IXTSUZIEKRFSAQ-QGZVFWFLSA-N	402.498	5.190	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccnc(OCc4ccccc4)c3)no2)cc1	761685696	IANYYRZFUZUASN-UHFFFAOYSA-N	414.490	5.016	30	20	HKED	
O=C(CCCc1c[nH]c2ccccc12)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764751614	BIJCQJYONJDZEG-UHFFFAOYSA-N	417.296	5.205	30	20	HKED	
C#CCOc1ccc([C@@H](C)NCc2ccc(Oc3ccccc3OCC)nc2)cc1	765099465	UKYCWDJCVJVAJK-LJQANCHMSA-N	402.494	5.135	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2s1	766238505	UKQSODHULDJHLW-AAEUAGOBSA-N	417.303	5.253	30	20	HKED	
CC[C@@H]1CCCC[C@H]1OCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	766851016	AXFHPOQKXYIVKW-PJIJBLCYSA-N	404.482	5.250	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c2ccccc21	767691831	WRIWERMPRDORKB-UHFFFAOYSA-N	423.520	5.397	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)c2ccccc21	768047721	UUQAQOCIXRECJY-XXBNENTESA-N	419.525	5.047	30	20	HKED	
CN(C)C(=O)Sc1ccc(COC(=O)c2cn(CCCC#N)c3ccccc23)cc1	769543804	JDTVYDNRUDUEGL-UHFFFAOYSA-N	421.522	5.076	30	20	HKED	
O=C1/C(=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCc2nc(O)ccc21	769616351	WWMXDLPNGWMIDJ-SDNWHVSQSA-N	422.824	5.354	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)ccc1OC	770609841	AIWYGFJOPNSLFV-AZUAARDMSA-N	421.541	5.236	30	20	HKED	
Cn1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C1CC1	771138881	HKPBZFAKKWNGFC-UHFFFAOYSA-N	421.888	5.046	30	20	HKED	
O=C1C/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)c2ccccc2N1	774144217	HRQGWFSAUVZFRA-XFXZXTDPSA-N	408.797	5.117	30	20	HKED	
C#CC[C@H](NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1	776170661	PWORXDSLOSSIKF-SFHVURJKSA-N	401.491	5.120	30	20	HKED	
COc1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)CCCC2)cc1OC	777317581	FKZMWEOGRCZJNZ-INIZCTEOSA-N	424.497	5.141	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1)c1ccccc1	777639347	GURHEBOTAXSXQC-JOCHJYFZSA-N	409.549	5.045	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)c1cccc(F)c1C#N	778370895	NUGMRBPDFGJXES-UHFFFAOYSA-N	416.880	5.051	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1	780165525	PIQVAELXQZJWHE-KRWDZBQOSA-N	420.896	5.391	30	20	HKED	
CC(=O)c1cc(F)cc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1O	780392066	IUZZOSFJLDEWGW-MRXNPFEDSA-N	409.301	5.146	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1	781439723	YYUWLKRJNNIZTM-UHFFFAOYSA-N	402.281	5.217	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1ccncc1	797460025	MDFGDYOQMVCLTK-RTBURBONSA-N	418.310	5.147	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2cc(Cl)ccc2Br)s1	797567194	ZJVPGLZHWMOXAQ-LBPRGKRZSA-N	411.752	5.275	30	20	HKED	
Cc1noc(C(F)(F)F)c1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	798545471	XQWSCUJEMIVSGB-UHFFFAOYSA-N	424.316	5.122	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCC(OC[C@H]3CCCO3)CC2)c1	815549073	RJIQJQXNKLAGMQ-IQWMQGJTSA-N	423.578	5.017	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	816016451	QPKYIUFUVDOGTA-ZDUSSCGKSA-N	400.356	5.509	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)OCc2cccc(C#N)c2)c2cnn(C(C)C)c2n1	827249646	JHIVLYIEYLGVQU-UHFFFAOYSA-N	410.477	5.216	30	20	HKED	
Cc1nc(COc2cccc(C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)c2)cs1	901380229	PSPXUODOKQAHBO-UHFFFAOYSA-N	423.321	5.369	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1	915087801	XOFPFUSJFNLHEH-KNQAVFIVSA-N	402.881	5.185	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(Cc3ccccc3)c2)cc1	916708399	XEEBPBJAESEBIW-XMMPIXPASA-N	407.477	5.231	30	20	HKED	
CC(C)CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	916919768	ZUAIXAIVTPKQEN-JOCHJYFZSA-N	400.478	5.226	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1	916948182	SKZZWHMHNWWHGT-VGOFRKELSA-N	404.510	5.073	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccc4c(c3)CCC4)n2)cc1	916973939	AHRVGTSIPSIEOD-HXUWFJFHSA-N	404.560	5.576	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)c(F)c1	918712972	GNRMUDMJKFMGAO-RUDMXATFSA-N	403.862	5.419	30	20	HKED	
CC(=O)Nc1cc(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)ccc1F	919679643	AWZZYLMBNOWZIU-UHFFFAOYSA-N	413.518	5.174	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(-c4ccccc4)o3)n2)cc1	920141528	JIUVAOUEGLUKMZ-OAQYLSRUSA-N	423.497	5.751	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1	920971188	TVIJEFOYWIVBOR-UHFFFAOYSA-N	414.534	5.323	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)Cc2cc3ccccc3c(O)n2)cc1	1640749592	ZBLOCRGQCZUGSR-UHFFFAOYSA-N	411.486	5.144	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1	1785843623	UKQKEVUKORBHSM-QGZVFWFLSA-N	418.528	5.548	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)[C@H](C)CC)C2	1793051321	XNYAMVIJRIRMEF-HKNOCEQDSA-N	422.613	5.223	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830254198	WEWWHHOXKNNERK-JOCHJYFZSA-N	402.623	5.345	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1	1831375154	NOOYAJOSOARZCW-HYBUGGRVSA-N	410.602	5.256	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccccc2CC)cc1	10831546	DCALOZDBGCQVTR-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
N#CCc1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1	15499169	LJAHFWDJUUTKHV-NRFANRHFSA-N	420.856	5.106	30	20	HKED	
COc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OCc1ccccc1Cl	26110972	JCRVBXZDXDKPBN-MRXNPFEDSA-N	420.896	5.290	30	20	HKED	
N#Cc1c(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)sc2c1CCCCC2	27659659	PYLOXQGBJOFKQI-UHFFFAOYSA-N	408.552	5.010	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	45246253	UHXVXUHSDCMHOT-UHFFFAOYSA-N	414.292	5.111	30	20	HKED	
Cc1cc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc12	46581601	RUDWAWSQKMRNSR-SFHVURJKSA-N	415.543	5.635	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1	111184410	YBSNLOBWHVQEBL-UHFFFAOYSA-N	401.510	5.112	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl	303414172	VRTWFUADRDJFAK-LLVKDONJSA-N	404.322	5.979	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1F	426087360	WWORVKNRPIXRJR-UHFFFAOYSA-N	409.417	5.167	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1Cl	427241578	JSBQMCBUGTXQQV-NSHDSACASA-N	424.715	5.013	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	429072294	WKNNYABSZIAXHF-UHFFFAOYSA-N	404.392	5.050	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	429092509	VYCJSMHMTGMNAF-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC#Cc1ccccc1	430116473	DDOLEYUCHLSQOX-UHFFFAOYSA-N	413.304	5.553	30	20	HKED	
C=CCn1c(SCC(=O)C2CCC(F)(F)CC2)nnc1-c1cccc(Cl)c1	432725477	NWRWJYNTANZPPM-UHFFFAOYSA-N	411.905	5.271	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	433984179	PHNONBOUJQIYBN-UHFFFAOYSA-N	419.506	5.731	30	20	HKED	
Cc1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	437462373	YPHQBXBFHSJUQK-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
CC(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-]	439653612	YHOKEGFPIOOVMN-SFHVURJKSA-N	416.462	5.203	30	20	HKED	
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](CCC#N)c1ccccc1	439676972	YYXKUBHPQXGOBM-SUMWQHHRSA-N	421.722	5.031	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	445810440	KZWMMZOMOYFSGE-CQSZACIVSA-N	410.436	5.017	30	20	HKED	
COc1ccc(NC(=O)c2ccc(NCc3ccc(F)c(C#N)c3Cl)cc2)cc1	446909591	AJQAETSAUZWHOS-UHFFFAOYSA-N	409.848	5.224	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(CCOCC2)[C@@H]1C	460964621	VCOQISRMOHWFID-HNNXBMFYSA-N	421.372	5.223	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464413478	WLDAQNFPTZPDOL-HXUWFJFHSA-N	422.406	5.438	30	20	HKED	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	466501009	YAIQUAHFNSVUKM-UHFFFAOYSA-N	417.421	5.104	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccncc1	466608629	PVECGVXZEXBWOK-ZDUSSCGKSA-N	424.917	5.083	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC[C@@H](Cc4csc5ccccc45)C3)o2)cc1	466925615	OTJXQZPQSZIMDQ-SFHVURJKSA-N	414.534	5.278	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(Br)c(F)cc1F	468216524	RWBPZHNKZAKKBX-UHFFFAOYSA-N	413.221	5.518	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	470356812	VIYYEIXGENJRHM-SFHVURJKSA-N	403.404	5.545	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C	471247952	ZYNVZKMAIZSEEH-UHFFFAOYSA-N	405.542	5.278	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1	475555090	KGTRFGCCAHUTSX-UHFFFAOYSA-N	421.541	5.127	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(F)c(Br)cc3Cl)CC2)cc1	476529085	CBRWBOZQAUIDGS-UHFFFAOYSA-N	419.681	5.043	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1	476651921	BAGNCDRKIRHKST-RDTXWAMCSA-N	414.349	5.513	30	20	HKED	
CCSc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	481007709	HFFLDPNCVPXXKP-AWEZNQCLSA-N	400.475	5.690	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1	485705934	RLSLHOWWWZXOQO-UHFFFAOYSA-N	402.519	5.219	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cnc(-c4ccsc4)s3)c2)c1	486635079	XIWQZDUNHOOWMO-UHFFFAOYSA-N	417.515	5.575	30	20	HKED	
C[C@H](Sc1ccccc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	487995967	XHIXFVWDPZTEBK-SFHVURJKSA-N	404.510	5.407	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)cc1	488391169	WPIHGTDMJPUINK-OFNKIYASSA-N	417.553	5.219	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)NC34CCC(C(F)(F)F)(CC3)CC4)o2)cc1	488454661	DNZQMNFTANUONX-UHFFFAOYSA-N	418.415	5.115	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	488497067	KQHUJIYVQUGJLL-HNNXBMFYSA-N	419.312	5.213	30	20	HKED	
CC(C)c1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1ccccc1	489441113	DHFHFZZBDOFHEW-UHFFFAOYSA-N	423.476	5.307	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCCC(=O)Nc3cccc(Cl)c3)o2)cc1	489773088	FQIYKTRCBUAKKT-UHFFFAOYSA-N	415.902	5.076	30	20	HKED	
CC1(C)CN(C(=O)Nc2cc(F)c(OC(F)F)cc2F)CC[C@H]1C(F)(F)F	491383396	CBHNBBKFQNWHKE-GFCCVEGCSA-N	402.310	5.009	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1F	494020412	YFPYWEGXVPSEKG-LJQANCHMSA-N	423.488	5.493	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1	494696642	KGEVXKQABOHFKX-IBGZPJMESA-N	414.619	5.813	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC1CCC(C#N)(c2ccccc2)CC1	495435643	YSPZZUKMYWJNMK-ULUNDTCASA-N	404.480	5.117	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(CC#N)c3ccccc3)cc12	497900406	UPQHNQCNRCCNFK-UHFFFAOYSA-N	406.898	5.219	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	499472135	CXAKOSJRPLPALB-JTQLQIEISA-N	420.372	5.389	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl	503795156	RYQDUFIUCUTCGT-SFHVURJKSA-N	420.296	5.287	30	20	HKED	
N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1cccc(Cl)c1Cl	505329050	ATHUKMDSPZJODU-INIZCTEOSA-N	418.255	5.101	30	20	HKED	
CCOC(=O)c1c([C@H](C#N)C(=O)Nc2cccc3ccccc23)nc2ccccc2c1C	505431989	CMGLEGFMFZOBJY-FQEVSTJZSA-N	423.472	5.119	30	20	HKED	
Cc1[nH]nc(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)c1C#N	508753857	OHODSSULOWCKOL-UHFFFAOYSA-N	422.897	5.534	30	20	HKED	
CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F	508874079	QHUYNKKTDKUUML-LBPRGKRZSA-N	416.852	5.002	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1Cl	510022473	DTWDJEBDOIPOFV-TZIWHRDSSA-N	421.953	6.426	30	20	HKED	
CSc1ccccc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N	511934443	MLOVWRPFGAFNHI-OAHLLOKOSA-N	402.610	5.532	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCC(C)(C)CCC#N	513118797	PLTSDPVBPKJAQP-UHFFFAOYSA-N	415.541	5.011	30	20	HKED	
CC(=O)N(c1nc(CSc2cc(C#N)ccn2)cs1)c1c(C)cc(C)cc1C	514563597	ZXJHYRWSAGOREK-UHFFFAOYSA-N	408.552	5.312	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	518821696	BXKUCERYPDTMGH-QGZVFWFLSA-N	404.466	5.008	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1	518849298	ZDIZONIDRLKBLW-INIZCTEOSA-N	417.214	5.206	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1	522647051	SVDXMENIWDFVPC-BUXKBTBVSA-N	408.354	5.248	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N	523754790	XYVWVIMZVRLJSW-JTQLQIEISA-N	406.408	5.716	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)on1	523947804	FAJVWSDNRMDGRS-LJQANCHMSA-N	407.857	5.278	30	20	HKED	
CC(C)CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(C#N)cc1	524491014	OTLKYROCRVQJLZ-UHFFFAOYSA-N	409.489	5.312	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccccc2s1	524491817	WXTZMRFSFZETMK-UHFFFAOYSA-N	413.502	5.414	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCCSc4ccccc43)c2)c1	524492071	AAEGHKXVIARSBG-UHFFFAOYSA-N	400.503	5.280	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc2ccccc2n1	524495046	XJWMRMACGWATKY-UHFFFAOYSA-N	422.488	5.316	30	20	HKED	
C=C[C@H](CC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1	533899697	DLPCCLYSPCOHCW-LJQANCHMSA-N	416.487	5.146	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccccc3CCC(F)(F)F)n2)cc1	534701502	UYQXYTZJOZISQJ-UHFFFAOYSA-N	401.413	5.429	30	20	HKED	
Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1	539216559	FYUYEYICHCDEQA-KRWDZBQOSA-N	410.546	5.903	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CN[C@H](CCC#N)c2ccccc2)cs1	539526562	QKSIVFQMCXUNBX-JOCHJYFZSA-N	404.539	5.271	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC1CCCC1	541353462	ANFWBEBHNIYRFK-IBGZPJMESA-N	418.518	5.630	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(Cc4ccccc4)c3)n2)cc1	542877361	RDTYMFSXQYESIN-OAQYLSRUSA-N	408.486	5.022	30	20	HKED	
CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542933048	HZHYIAOBLRUQPM-MJGOQNOKSA-N	412.489	5.073	30	20	HKED	
N#CCC1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1	543836825	COQVDLYCIHTSQP-UHFFFAOYSA-N	424.953	6.144	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543943468	KMLBBXOXZQBMMF-WBVHZDCISA-N	418.566	5.762	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc2cc(Cl)ccc2s1	544149044	SNGHWUJLYQBEPT-ZDUSSCGKSA-N	418.305	5.277	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	548884056	IYQQAHUTHKHYIT-LJQANCHMSA-N	401.510	5.662	30	20	HKED	
O=C(Nc1ncc(C(F)(F)F)s1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	548993586	OTUFOCKMXKSUDI-VIFPVBQESA-N	401.307	5.116	30	20	HKED	
COCC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1	551570555	VKNRGMSLHMHSTN-YJYMSZOUSA-N	406.313	5.003	30	20	HKED	
N#Cc1ccc2ncc(CN[C@@H](c3cc(F)ccc3F)c3ccccc3Cl)n2c1	551799335	TUXLKCIQRKXDQS-JOCHJYFZSA-N	408.839	5.017	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cccc4ccccc34)CC2)c(F)c1	552687395	JNOGHQLNMACNBF-XZOQPEGZSA-N	414.480	5.024	30	20	HKED	
C=CCOc1ccc(CNc2ccc3c(c2)N(CC(F)F)C(=O)CS3)cc1Cl	560092099	JTXQZCABCDQCBP-UHFFFAOYSA-N	424.900	5.221	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C3CC3)C3(C#N)CCC3)cc12	560101590	ZOFSGIYFTKTDNB-UHFFFAOYSA-N	424.957	5.159	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1)C(F)(F)F	564813462	RRUSHWHCRUSNOF-MRXNPFEDSA-N	415.440	5.535	30	20	HKED	
Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1	565468939	AVKBNCBUTNOJMA-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	572471459	YGUILBSXFDAQOX-MORSLUCNSA-N	407.345	5.210	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1Cl	574237133	KMRDCCHEBHAJDA-AEFFLSMTSA-N	407.823	5.458	30	20	HKED	
N#Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)ccc1OC(F)(F)F	583156274	PSIAJAGYCYXCTP-CQSZACIVSA-N	421.341	5.043	30	20	HKED	
N#CCc1ccccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1	588986947	LJZXKTHHXNFNSN-UHFFFAOYSA-N	403.507	5.028	30	20	HKED	
C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589364540	FFLBNYJWCNLCQT-ICSRJNTNSA-N	412.493	5.231	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[nH]c(C)c1C(C)=O	590249454	ICLXVZARHLPXFG-UHFFFAOYSA-N	415.493	5.181	30	20	HKED	
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1F	590325254	GIWRGUKTXHDKID-UHFFFAOYSA-N	410.289	5.407	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1OC1CCCC1	592974514	ZWQXXTZXJDEBAH-INIZCTEOSA-N	410.470	5.255	30	20	HKED	
CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c12)[C@@H](C)c1ccc(C#N)cc1	603530499	QDTCMGMHIYGEEM-AWEZNQCLSA-N	424.595	5.190	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cn2)c1	603692952	QJQYLUTUBVUIKY-NRFANRHFSA-N	418.884	5.768	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2cccc(F)c2c1C	603739157	WDESRUIYVPVIRE-UHFFFAOYSA-N	417.465	5.969	30	20	HKED	
COc1cccc2cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)oc12	603992579	PZENABVMFOIMNV-UHFFFAOYSA-N	400.459	5.392	30	20	HKED	
CC(C)n1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccc(Cl)cc1Cl	604053287	WTALBORVFXDFBK-MRXNPFEDSA-N	417.365	6.060	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1nc2ccccc2s1	606829087	PDAZEAQVIDSEEG-UHFFFAOYSA-N	406.429	5.152	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	608915904	XTWCJLRDQYVTKQ-UHFFFAOYSA-N	411.465	5.060	30	20	HKED	
CCn1nc(C(C)C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609061853	ZQKWMABIYALIHW-UHFFFAOYSA-N	402.498	5.038	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCO[C@H](c3ccccc3)C2)cc1	609299500	ZYGQQBGGYKKQHX-DEOSSOPVSA-N	416.452	5.093	30	20	HKED	
Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609636069	LFSMIDMVQFGVMU-QFIPXVFZSA-N	412.493	5.293	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2ccccn2)C2CC2)c1	609722474	YCVBPNNFKJDXLY-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	609736766	PDDXMFPLVJXYBL-CWTRNNRKSA-N	407.461	5.340	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OCC(F)(F)F	609978925	VAGSTWKPUGCHJW-UHFFFAOYSA-N	410.395	5.727	30	20	HKED	
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	610019395	NVSXFSANNDQYEF-YDHSSHFGSA-N	407.583	6.394	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)sc2c1-c1ccccc1CC2	610172216	FMPBSDUAJXFHDV-CVEARBPZSA-N	406.457	5.406	30	20	HKED	
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(SC2CCCC2)cc1	610809754	UIQOKVQPQFECCO-GOSISDBHSA-N	406.599	5.308	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)c2)c1	610961892	LOKZFTIDLKSGPR-UHFFFAOYSA-N	418.403	5.134	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2CCc3c(Cl)cccc32)cnn1-c1cccc(C#N)c1	615290593	SWPRIOWGJASHTD-LJQANCHMSA-N	404.901	5.018	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@H]1CCc2cc(C#N)ccc21	618789871	QYAJOXALPWDTTD-YJYMSZOUSA-N	407.926	5.044	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C#N)c1ccc(Cl)cc1	619863997	LIOWHSYOZTWEAE-GOSISDBHSA-N	414.893	5.193	30	20	HKED	
Cc1cc(F)ccc1CN(C)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683093588	NCJUSQUYJFVWKF-CHWSQXEVSA-N	414.365	5.185	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2cccc(NC(C)=O)c2)cc1OCC	725792092	UOIYCFAMTRWPTJ-UHFFFAOYSA-N	404.894	5.037	30	20	HKED	
Cc1csc(CCCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1	727222602	GXAIVDGAYYNDGA-OAQYLSRUSA-N	404.539	5.251	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	727627605	HRUYDGHJWZOITK-OAQYLSRUSA-N	404.535	5.798	30	20	HKED	
COc1ccccc1/C(C)=C\C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	727629119	RURQPYGLJUPFMV-HMVFGEFZSA-N	416.424	5.603	30	20	HKED	
Cc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	727977958	CZWZKVAFTGLIAT-UHFFFAOYSA-N	407.926	5.908	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C/c3ccc(Br)o3)cc2)c1	728005559	NYWCXFPSIIODEQ-PKNBQFBNSA-N	423.266	5.145	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc2cc(F)ccc2s1	730418481	VUQOSEOFCOZOIG-KRWDZBQOSA-N	400.434	5.754	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)c1ccccc1	730685041	GPZOWPCFEMQDFT-CPJSRVTESA-N	409.489	5.132	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2c1	730988721	BPFZNXMDDKHBGO-UEICXMAYSA-N	402.519	5.752	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1	730989667	MOFJDCAAYZZYCO-HNNXBMFYSA-N	414.621	6.059	30	20	HKED	
Cc1ccc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCOCC2)cc1	731972188	KCPIDQGNDJCXST-VWLOTQADSA-N	410.517	5.337	30	20	HKED	
O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1cc2cc(Br)ccc2o1	743057921	WAFJXRDPANTJHN-XVNBXDOJSA-N	421.250	5.674	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	744061473	LHFBQWLYYMIMEB-FOIQADDNSA-N	403.482	5.266	30	20	HKED	
CCCN(CC)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	744062642	UFHCFAADPPWLCY-OAQYLSRUSA-N	414.534	5.408	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@]34CCCc3ccccc34)n2)cc1	744063149	YIXHFBATQHSYRR-DZRGJMJISA-N	409.514	5.152	30	20	HKED	
CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1	746142223	NZLKOKITQUUXJC-PGRDOPGGSA-N	421.541	5.124	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c1	751275319	LMXYEKSGXGDUEV-CDNWVTEYSA-N	420.475	5.133	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2CSCCS2)cc1Cl	751613020	WCIPSUFMXHTARI-AEFFLSMTSA-N	402.972	5.173	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cc1C#N	752297130	JPNKVNPEPNHSKW-KUHUBIRLSA-N	422.485	5.040	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(OC)cc1	752484915	YZQCNJZAZROTOZ-DYESRHJHSA-N	415.518	5.451	30	20	HKED	
Cc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)cc(C)c1OCc1ccccn1	752875756	UZXUPCYDTBPIGY-TWGQIWQCSA-N	406.413	5.221	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1-c1ccccc1	760103977	MFWLAOUXCKWLNT-UHFFFAOYSA-N	407.477	5.460	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2	760797374	MUFCUQNEWNJOOX-UHFFFAOYSA-N	400.453	5.261	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN(C)[C@H]2CCCc3nc(C)sc32)c1=S	764992028	UNKDFQOWHPQHFF-HNNXBMFYSA-N	417.629	5.060	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1	770665242	HOIGJPVYAVOJPD-FOIQADDNSA-N	406.473	5.286	30	20	HKED	
COC(=O)[C@H](N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccc(C#N)cc1	776034068	PBSGWTYIYIVBLE-RTBURBONSA-N	422.834	5.185	30	20	HKED	
C[C@@H](N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccc(OCC#N)cc1	776165354	PYZSAWZURRSAFK-CMJOXMDJSA-N	412.867	5.961	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)CCC2	780118667	RIDLCZBKJQQZSX-GOSISDBHSA-N	405.548	5.282	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1	780149534	QDPTYIXZLQZSDM-NYHFZMIOSA-N	408.404	5.014	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1	780162830	JLVJKPGSUPNHTC-AWEZNQCLSA-N	401.397	5.177	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccccc1O[C@H](C)C#N	780668913	GGPHPJDGMUVGBP-MSOLQXFVSA-N	405.523	5.834	30	20	HKED	
Cc1sc2ncn(N=Cc3cc(C)c4ncccc4c3)c(=O)c2c1-c1ccccc1	783806611	OSRMMBCJIUWIAT-UHFFFAOYSA-N	410.502	5.172	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1	787041187	OAMOSAHGHXCHSM-CRFBAAHOSA-N	403.309	5.073	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)o1	794279150	PQBPSRXHCWZAAC-UHFFFAOYSA-N	419.824	5.291	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C\c2csc(-c3ccc(OC)cc3)n2)C(=O)c2ccccc21	802706759	YHGASMKHLMCMLY-AUFJSOOLSA-N	419.502	5.135	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(F)(F)F	807744633	FUBCXEUGJGBINH-QMMMGPOBSA-N	413.264	5.566	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccc(F)c(Br)c1	813057846	RTZYRCNWBBRTKA-YPMHNXCESA-N	417.303	5.568	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813219144	WWEBEHHKXVEWSB-OXJNMPFZSA-N	424.422	5.335	30	20	HKED	
CCCCOc1ccc(C=NOCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC	836562588	KPGCMDJTQWUJAR-UHFFFAOYSA-N	418.921	5.134	30	20	HKED	
CCOc1ccc(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915086180	IBIUSVILDAFVKN-QHCPKHFHSA-N	402.519	5.472	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccncc2)cc(Br)c1OCc1ccccc1	916136718	XYAVTCMDNXUUNT-BQYQJAHWSA-N	424.294	5.328	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	916918480	PQFWHLVSUOCOGY-UTKZUKDTSA-N	400.478	5.080	30	20	HKED	
CCCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916927913	FJXKPKJNMDIGLS-QGZVFWFLSA-N	419.308	5.524	30	20	HKED	
C[C@@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C1	916941929	CHHVLVULGLYEGQ-MEBBXXQBSA-N	407.322	5.141	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(-n2cccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916976909	WQNFOKWJOXLMJK-FQEVSTJZSA-N	417.921	5.673	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCCC(C)C	920101524	CIMMGBCFCVSBFF-LJQANCHMSA-N	418.493	5.115	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccccn3)n2)CCOc2c1ccc(Cl)c2Cl	921138266	BUXOZKDJEQZAHM-PKNBQFBNSA-N	403.290	5.561	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC)nc3)cc2)CCC1	1787255256	MZMVIKOWKBASFB-HSZRJFAPSA-N	417.553	5.160	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc[nH]3)CCC2)cc1	1789625870	CEDNMTXSWQDUDX-UHFFFAOYSA-N	407.558	5.074	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831694844	NRZFNQUPCDXYHC-PRTQVNTJSA-N	402.623	5.035	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccccc2CC)c1	10174694	BKPOFRBNFHCABT-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
CCOCCOCc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1	46686639	YDZSOWTUDDNSRY-UHFFFAOYSA-N	400.478	5.031	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(Cl)c2ccccc2n1C	57083974	WXZXQWKNVMQYPI-UHFFFAOYSA-N	416.868	5.451	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)c1	58777151	ZGBQXVYIZBYHHM-ZHACJKMWSA-N	400.478	5.132	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3c(Cl)cccc3Cl)c2)c1	71981336	QWVICQGTWMCGQE-UHFFFAOYSA-N	424.287	5.299	30	20	HKED	
O=C(/C=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)c1cccc(N2CCOC2=O)c1	206823273	ZMHYWVZNFPIHGN-PLNGDYQASA-N	416.260	5.165	30	20	HKED	
C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccccc1-c1ccccc1C#N	303577425	ZPORXFOWEDIHEZ-MZNJEOGPSA-N	416.908	5.481	30	20	HKED	
Cc1cnc(-c2ccccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)[nH]1	427184062	GADNNVGPGDEJBB-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
CC(C)Cn1ccc2cc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)ccc21	428906289	MNIVNNOJJATEGX-UHFFFAOYSA-N	411.509	5.327	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1	429080611	RMIVYOLZMUDPMX-CQSZACIVSA-N	408.483	5.007	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2nc3cc(Br)ccc3s2)c(Cl)c1	430348553	ATEPMXCOPXMWIG-UHFFFAOYSA-N	420.719	5.155	30	20	HKED	
N#Cc1ccc(F)c(CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1	443477148	PKWRPEXHYKPHOO-UHFFFAOYSA-N	404.832	5.698	30	20	HKED	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(COc2ccccc2C#N)c1	460205230	IZWPBYYBCBDSRN-LJQANCHMSA-N	411.505	5.012	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1cccs1	460372465	BVWSYDFMVFDMAE-WMZOPIPTSA-N	412.534	5.536	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccccc1	460567448	OMSQVYDRTDRBPA-HJOGWXRNSA-N	414.553	5.441	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]cc1-c1ccc(F)cc1	460722089	GYRKYRZUUHBRMG-UHFFFAOYSA-N	412.424	5.441	30	20	HKED	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	461184302	DIJVLUJBWVCYBT-UHFFFAOYSA-N	416.428	5.023	30	20	HKED	
C=CC[C@H]1N(c2nnc([C@@H]3OCC[C@@H]3C)n2Cc2cccs2)CCCC1(C)C	461485934	HQYGBIJICJKVGK-QXAKKESOSA-N	400.592	5.057	30	20	HKED	
C[C@H](C(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C)c1cccc(C#N)c1	462177056	QSMJWRRCKGQLGM-WTOJCKNJSA-N	415.356	5.024	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12	464543530	AQDHHYGZKHNKEP-WIYYLYMNSA-N	420.553	5.426	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2ccccc21	468800047	CVWJSTVVDPTDAG-UHFFFAOYSA-N	403.501	5.179	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccn2)cc1	471283544	SLEDMSKOYLNTML-WZONZLPQSA-N	416.550	5.553	30	20	HKED	
CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2s1	475117666	KPBABVIIJAUNCM-UHFFFAOYSA-N	406.511	5.088	30	20	HKED	
Cc1cccc(C)c1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	480676121	NMKGNSRVBAMHGT-UHFFFAOYSA-N	419.868	5.198	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C	480830272	SWLJQVHBVAITIG-KXBFYZLASA-N	417.431	5.854	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	482000360	KDWNJLYGYRZJPY-RDTXWAMCSA-N	404.457	5.512	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3Br)c2)cc1	482897080	JSJHORVIGHDAEN-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cc1	483971447	IHPISHUYWLWMQY-UHFFFAOYSA-N	410.445	5.146	30	20	HKED	
Cc1ccc(F)c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1Br	486429111	DZZQKMVXKBAQJV-GFCCVEGCSA-N	416.077	5.198	30	20	HKED	
CCOc1c(Cl)cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1OC	486575936	PGIDAYJZHLODNN-UHFFFAOYSA-N	416.949	5.072	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3coc(-c4ccc(OC)cc4)n3)o2)cc1	489787754	FZBPNHYDOLZFPV-UHFFFAOYSA-N	421.478	5.257	30	20	HKED	
O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cc(F)c(OC(F)F)cc1F	491300268	XTAXKRQZLMEWBX-RKDXNWHRSA-N	402.310	5.056	30	20	HKED	
CCCc1nc(C)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1	494806554	BRXZRZQCTQHJRB-IBGZPJMESA-N	422.916	5.566	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1	494881127	FTYCLINVMYJMNG-SNVBAGLBSA-N	400.319	5.201	30	20	HKED	
C=CCN(Cc1cccs1)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1	499055015	LITKFDCTNCRBAI-HSZRJFAPSA-N	406.551	5.433	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	500579903	BVUJHNGKXLLXFP-UHFFFAOYSA-N	417.412	5.352	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC(F)F	500744918	PWFKDAAUKDIUKW-UHFFFAOYSA-N	424.403	5.521	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCCc3cc(Cl)sc3Cl)CC2)cc1	503863333	ZAJAIPSTRWBZKY-UHFFFAOYSA-N	405.350	5.565	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)cs2)cc1	504075475	YUAHRCUFOLHZDS-QGZVFWFLSA-N	419.550	5.694	30	20	HKED	
C=CCc1cc(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc(OC)c1OC	505309831	BTNRQSKOWKUKNV-UHFFFAOYSA-N	405.498	5.129	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	505512651	KWMYUOBUDAJLNB-CYBMUJFWSA-N	424.353	5.343	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C#N)c1ccccc1Cl	505630198	FPABSTYXPRBGOZ-HNNXBMFYSA-N	420.683	5.605	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C	506900047	UOWAWGCYOUHWJY-UHFFFAOYSA-N	404.514	5.360	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(n4cc(Cl)cn4)CC3)cc2)cc1	506903524	ZERHRMRPFBOTNJ-UHFFFAOYSA-N	421.888	5.069	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)ccc1OCC(F)(F)F	510339344	HAJMIVNHFVJEBO-KRWDZBQOSA-N	423.822	5.522	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(Br)c1)c1nc(-c2ccccc2)cs1	511884268	KGWTVZVZFLGYTB-CYBMUJFWSA-N	417.715	5.716	30	20	HKED	
C[C@H](Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(C#N)cc1F	512292377	AYSIMTIDYYXUCC-AWEZNQCLSA-N	413.294	5.072	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(F)(F)F)cc1	512477479	BAHQFLLPSNRCGT-UHFFFAOYSA-N	414.383	5.416	30	20	HKED	
COc1ccc([C@@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccc(C)cc2)cc1	512898640	GZYGBHSSXWRIFD-VWLOTQADSA-N	416.546	5.014	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCCC(C)C	512964947	XFIDCXHSSBALJE-GOSISDBHSA-N	421.522	5.129	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)nc2ccccc21	513737256	YNQPZAQBBLZXAJ-OAQYLSRUSA-N	402.457	5.279	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)o3)n2)cc1	516270212	PRXAGBLYGRXQHB-GOSISDBHSA-N	418.449	5.708	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1	516399238	IFAMHSYBCKBAKL-UHFFFAOYSA-N	424.504	5.279	30	20	HKED	
C=CCN(C(=O)C[C@@H]1CCCO1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	516464108	NPBCPRJGYDWXHW-NRFANRHFSA-N	404.535	5.565	30	20	HKED	
CCN(Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	517530123	NXFYRLAWOUHCSO-SFHVURJKSA-N	403.551	6.288	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(Oc3ccccc3)nc2)c1	518774464	JPQITOUPXRAGNB-UHFFFAOYSA-N	421.500	5.614	30	20	HKED	
Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	520536326	BFKXLYTZJXBIFV-DEOSSOPVSA-N	423.472	5.224	30	20	HKED	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccc(C#N)c2)cc1	520951105	PBMXEDVDNPKOJE-UHFFFAOYSA-N	422.532	5.488	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1	520965740	YFAJQBYYHIXBMW-RUZDIDTESA-N	406.476	5.721	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2	524233581	KFBLYWZXKSLDKQ-UHFFFAOYSA-N	411.505	5.297	30	20	HKED	
N#Cc1ccccc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1	525085347	ADDZDPASXWIJEX-MRXNPFEDSA-N	409.561	5.151	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1	530832078	WOEKJMFRFHQIEY-UHFFFAOYSA-N	407.857	5.462	30	20	HKED	
C[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccccc2)no1	535543770	XLUGGQRIEGDPMG-IBGZPJMESA-N	424.504	5.081	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC=C(C(F)(F)F)CC3)cc2F)c1	536059591	NAGFRWGOZHFWPD-UHFFFAOYSA-N	419.378	5.003	30	20	HKED	
C[C@H](N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)Nc1ccccc1C#N	537218680	FKNURXQCLRSGCB-BUXKBTBVSA-N	421.850	5.298	30	20	HKED	
CCC(CC)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C	537340517	IYRWBACBYKFEFF-UHFFFAOYSA-N	416.525	5.564	30	20	HKED	
COc1cc([C@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1OC1CCCC1	537434791	QPRDIYXAQSVGAV-KRWDZBQOSA-N	404.510	5.063	30	20	HKED	
C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(C#N)cc1	538395794	FYCIYPVGSOWJTC-GYCJOSAFSA-N	404.897	5.423	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccs3)CC2)cc1	539497355	GAEUNOMFVQGGHP-DEOSSOPVSA-N	421.997	5.617	30	20	HKED	
CC(C)[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	540358748	KMRGPOBSNJPLQM-LJQANCHMSA-N	400.404	5.114	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	542957327	LIHYCTLIPKVJQV-VBKZILBWSA-N	423.879	5.151	30	20	HKED	
CC(C)CCOC1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	543017894	QYQZFXNAFOZMCU-HXUWFJFHSA-N	419.569	5.523	30	20	HKED	
COc1ccc(CC(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F	543108973	ZPCHOOWLUXSYRI-QGZVFWFLSA-N	423.328	5.158	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)no1	544166035	LJQMJUBMDTVXSS-UHFFFAOYSA-N	414.509	5.002	30	20	HKED	
C[C@H](NCc1ccc(F)c(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1	544462149	VWRVLOMTZWTTAV-LBPRGKRZSA-N	416.319	5.434	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3ccccc3OC(F)F)no2)c2ccccc21	546328595	VHJDMKGEHGIKCQ-KHPPLWFESA-N	406.392	5.377	30	20	HKED	
CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C(F)(F)F)c1	551114762	HPDAEUDMZNZJGB-UHFFFAOYSA-N	403.404	5.172	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)CC2)cc1	554244992	FWLPYFQLBUPOFY-UHFFFAOYSA-N	423.822	5.306	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C1CC1)C1(C#N)CCC1	556438458	UHLNRBYWWLBLBP-UHFFFAOYSA-N	413.930	5.013	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	557581906	KLGVRZVEDYXYEG-HZPDHXFCSA-N	413.543	5.228	30	20	HKED	
C[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)c2cc(Cl)ccc2S1	568831164	VXOPHXOIMZGARE-CYBMUJFWSA-N	409.898	5.398	30	20	HKED	
COc1cc(CN[C@@H](c2ccc(OC)c(OC)c2)c2ccccc2Cl)ccc1C#N	570950020	PDDSRLCDCPITEF-DEOSSOPVSA-N	422.912	5.117	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccccc3OCc3ccccc3)no2)cc1	573958986	DOUZGNZQFLTBKG-OAQYLSRUSA-N	406.445	5.037	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	589736248	WSJUYZRZAFMQRQ-GHMZBOCLSA-N	416.337	5.208	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)o1	608870637	LCEAVRBIQLITHB-UHFFFAOYSA-N	405.523	5.072	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	609019998	FMBLZHTYXOMWHM-UHFFFAOYSA-N	419.550	5.547	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)o2)cc1	609054455	NJNCWUSFGVQZIX-UHFFFAOYSA-N	409.854	5.246	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C)cs1	609206781	UGTKSAUPHRYOOX-QUCCMNQESA-N	424.957	6.033	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCOc1cccc(Cl)c1Cl	609428550	UNCJQGAVMXYMAY-CQSZACIVSA-N	423.365	6.185	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cc(Cl)cs1	609907364	OAZNJDTVIDYJSW-UHFFFAOYSA-N	418.893	5.997	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)cc2)cc1	610961810	DAQREJHRWDHABF-UHFFFAOYSA-N	418.403	5.542	30	20	HKED	
Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nn1-c1ccccc1Cl	611479795	WHUWAEBFHWZZAL-UHFFFAOYSA-N	405.672	5.265	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)cc2)nn1	611494991	TVBQJTIAQUJCBJ-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
COc1cccc(CC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1	612307173	ZKCNLMDQLUZDHM-GOSISDBHSA-N	423.582	5.434	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1-c1ccccc1	613320068	TUNUUMYVVNODFY-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(C(F)(F)F)s1	671660202	QKQVCDQGYXVPOP-UHFFFAOYSA-N	415.330	5.436	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2c(C(F)(F)F)nn(CC)c2C(F)F)c1	676167398	JRUIZRIOZWVXHK-UHFFFAOYSA-N	403.351	5.067	30	20	HKED	
COc1ccc(O)c(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c1	725836266	CWGPYCXMQDLAJV-UHFFFAOYSA-N	408.458	5.048	30	20	HKED	
COc1ccc(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1F	726461217	WYLWWPNOUBFLNG-UHFFFAOYSA-N	407.470	5.094	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1	730379826	KWFFSFUXKSKSLP-IERDGZPVSA-N	404.539	5.640	30	20	HKED	
Cc1ccc(NN=C2CCCc3nc(-c4ccccc4Br)sc32)nc1	730434656	QDWTWEVTCMAFAT-UHFFFAOYSA-N	413.344	5.429	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)COC(c1ccccc1)c1ccccc1	735339019	NOXQVPKHTOMDKY-UHFFFAOYSA-N	421.880	5.092	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	739160735	MRPHUODGTKOGIU-SUMWQHHRSA-N	415.440	5.279	30	20	HKED	
COCCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H](C)c1ccccc1	740064431	NAQKPZUQSKLGDZ-GOSISDBHSA-N	419.550	5.206	30	20	HKED	
N#Cc1ccc(COC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c(F)c1	744596826	PALCHHQBJHNJEL-UHFFFAOYSA-N	407.253	5.485	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(Cc2ccc(OCC)cc2)C(C)C)c1=S	746045611	XIIPGGYOEQCWDN-UHFFFAOYSA-N	412.559	5.127	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CSc1cc(Cl)ccc1Cl	749361134	SEDYGHVPEMJLIC-UHFFFAOYSA-N	416.333	5.221	30	20	HKED	
CC[C@@H](C)n1c(-c2ccccc2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S	749883902	LSFYYKJKENRVIY-LJQANCHMSA-N	419.598	5.792	30	20	HKED	
CC(C)[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Cl)c1	750689898	NAGSPGRWAQGIOW-YJBOKZPZSA-N	401.844	5.701	30	20	HKED	
C#CCCCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	758631874	QDVUOQMRAKUIPL-XYUDRNGQSA-N	409.414	5.028	30	20	HKED	
Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2)c1	761815091	FGYMRCSDVRUEIA-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c(Cl)c([N+](=O)[O-])c1	764303030	VCFLXWKRZHBIAQ-GHMZBOCLSA-N	410.644	5.169	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1csc(-c2ccccc2)n1	764751082	GWMQOYVNMAUFRQ-UHFFFAOYSA-N	419.293	5.138	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Br)cc2Cl)cc(OC)c1OC	765612747	DYQUSQUQQCAITP-DAXSKMNVSA-N	411.679	5.024	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12	769543993	LJZCUVZTLWKISI-INIZCTEOSA-N	423.900	5.091	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1CN1CCc2ccccc21	780508712	BMIOPWLQGQBQIP-GOSISDBHSA-N	412.493	5.184	30	20	HKED	
Cc1cc(S[C@H](C)C(=O)OCCCC(C)(C)C#N)n2c(nc3ccccc32)c1C#N	782373318	QWEHMNYHSHYGIT-MRXNPFEDSA-N	420.538	5.021	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1	782557066	SBEIJTIIYLQZGN-MRXNPFEDSA-N	423.476	5.466	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	788351434	YWYULXUMWPBAOJ-SXLOBPIMSA-N	418.518	5.116	30	20	HKED	
N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nccc2ccccc12	792100333	DLSZAJZEVPYFFG-BBHUYCHWSA-N	417.553	5.056	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(C)c(C#N)c2)c1	799301275	RNNOQJWMPCSLCV-IBGZPJMESA-N	411.505	5.229	30	20	HKED	
COc1cc(CN[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)ccc1C#N	799342321	GWNPMWUEUDXJQZ-OAQYLSRUSA-N	407.514	5.081	30	20	HKED	
Cc1csc(SCc2c(C(=O)NCC(C)(C)CCC#N)oc3ccccc23)n1	807846579	DEPSEVFGVRPTOX-UHFFFAOYSA-N	413.568	5.550	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](O)c1ccccc1	808818292	VCVKMFPEUCDFHH-POCHDABASA-N	419.912	5.239	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)sc2cccc(F)c12	813214037	OFMYLIHTOJYXHV-NSHDSACASA-N	408.376	5.091	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	815789055	UMNGNPYLZZKJSP-FQEVSTJZSA-N	409.555	5.067	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1OC	839303716	QTTGVSAXZOEMMG-LUAWRHEFSA-N	416.521	5.161	30	20	HKED	
N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4OCc4ccccc4)no3)on2)c1	904463192	FLQXFEGBAXSOGV-UHFFFAOYSA-N	420.428	5.509	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2CCc2ccccc2)cc1	916680591	KXGLYHYZGOAHDG-IZZNHLLZSA-N	409.533	5.971	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2c(c1)-c1ccccc1C2	916917415	GUSHCYNLJVFYQK-DEOSSOPVSA-N	402.453	5.372	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	916928568	NZVLSRCTAKIUFZ-BBRMVZONSA-N	419.308	5.233	30	20	HKED	
CCCCOc1ccc(-c2nnc(CON=Cc3ccccc3C(F)(F)F)o2)cc1	917394639	LDPPIWMCHSQCRJ-UHFFFAOYSA-N	419.403	5.485	30	20	HKED	
N#C[C@H](C(=O)Cn1ccc2ccc(Cl)cc21)c1nc2cc(Cl)ccc2s1	920113202	RVLNILNDRPAGRR-CQSZACIVSA-N	400.290	5.434	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1	1785800003	KAWAWRVASVGMGY-KRWDZBQOSA-N	418.528	5.548	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C)cc2)CCC1	1788820578	VWWSKEFFNMLTMA-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C[C@@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1	1790428016	SXEPXRJUIVTEFS-IQMFZBJNSA-N	421.928	5.005	30	20	HKED	
C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCc1ccccc1	1804259840	FVXOWEKSFQHFAZ-QEIWAGNOSA-N	422.613	5.011	30	20	HKED	
C[C@H](C#N)Sc1nc2scc(-c3ccccc3)c2c(=O)n1CCc1ccccc1	7237799	LOUXRHDYCYCQQT-MRXNPFEDSA-N	417.559	5.372	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nc2ccccc21	12046184	YAZOVSWTBSDHPX-UHFFFAOYSA-N	405.495	5.268	30	20	HKED	
N#CCc1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1	15029096	IYFQJGIPDMMSLW-UHFFFAOYSA-N	415.543	5.786	30	20	HKED	
C[C@H](OC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)Nc1ccccc1C#N	23526052	OSWIGCVSVXIPRL-KRWDZBQOSA-N	416.502	5.035	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC[C@H]4CCCO4)cc3)n2)cc1	46706720	WNKPYCUMVTUXNV-RTWAWAEBSA-N	418.518	5.166	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)C2CC2)cc1	48161689	CDPNIOJUKYEWFA-VWLOTQADSA-N	411.505	5.604	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1	60477501	HPOLCSAIESNDGY-OAHLLOKOSA-N	417.715	5.716	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C1(c2cccc(Cl)c2)CCOCC1	64695725	CSGYXDGTWIRIAK-UHFFFAOYSA-N	410.366	5.318	30	20	HKED	
Cc1sc(NC(=O)CSCc2ccc(Br)cc2F)c(C#N)c1C	64868586	MHOLHAISTJVXBU-UHFFFAOYSA-N	413.337	5.010	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nn(C(C)(C)C)c2C)cc1	116525097	RGTQCNLJTIKVFQ-UHFFFAOYSA-N	418.497	5.180	30	20	HKED	
CCCN(C(=O)C1(C#N)CCCCC1)c1cccc(NC(=O)C2(C#N)CCCCC2)c1	195648155	SCXGVSPANSCQBP-UHFFFAOYSA-N	420.557	5.316	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1	303236882	XTVKJYCFBJYPDN-IBGZPJMESA-N	401.853	5.285	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC(c4ccc(Br)cc4)CC3)cc2)CC1	410409454	VIXWIUQMBJVQHZ-UHFFFAOYSA-N	409.327	5.024	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cn(CCCC#N)c3ccccc23)C2CC2)o1	434971030	GQQXPIATPROASA-UTKZUKDTSA-N	401.510	5.466	30	20	HKED	
N#CCCn1cc(CN2CC=C(c3cccc4ccccc34)CC2)c(-c2ccncc2)n1	435135609	SCCGLYWDWOHKEP-UHFFFAOYSA-N	419.532	5.301	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(F)c(F)cc1Br	435264069	UQRYTEKKDUEVBW-UHFFFAOYSA-N	413.221	5.518	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1CCC	437475289	PQCQNIJURIINJI-RNODOKPDSA-N	423.340	5.312	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(F)(F)F)CC1	437848526	MLIZCXOAIKXJGN-UHFFFAOYSA-N	403.404	5.465	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1	438049487	BBECXIRZFUOLTI-RDTXWAMCSA-N	403.935	5.243	30	20	HKED	
Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438642623	BGPBCLTYCLVMQQ-UHFFFAOYSA-N	424.426	5.515	30	20	HKED	
COCc1nc(CN[C@H]2CCCCc3cc(C#N)ccc32)c(-c2ccccc2)s1	442873208	QWMUAWHFMHFVNR-NRFANRHFSA-N	403.551	5.385	30	20	HKED	
COc1cc(C#N)ccc1CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444741154	XIBFWTWCPQLOLM-MRXNPFEDSA-N	402.338	5.369	30	20	HKED	
CN(CCC#N)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1	448158339	USHLPOYIKXQRIW-UHFFFAOYSA-N	415.316	5.103	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	460946905	DHWVBPLWXIDQQN-MNEFBYGVSA-N	420.479	5.312	30	20	HKED	
Cc1ccc(-c2nc(CNc3cccc(OCc4cccc(C#N)c4)c3)cs2)o1	462221167	IISUXGGLUFAFKS-UHFFFAOYSA-N	401.491	5.774	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(OCC(F)(F)F)cc1	462652346	FGQKUOSDJXKZFI-AWEZNQCLSA-N	424.444	5.039	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[nH]nc2-c2ccccc2)cc1	463616201	ZNSCKXWZUCAAKA-UHFFFAOYSA-N	410.433	5.002	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cc(-c3ccccc3)oc2C1	473640971	MQDDCYUHHCXGPB-QGZVFWFLSA-N	417.534	5.931	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	474423929	AEXJCHNDGBNJCC-CQSZACIVSA-N	401.944	5.842	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cc(Br)c(F)cc2C)c1C#N	476473247	VEEJBIXEAXJSBE-UHFFFAOYSA-N	420.307	5.015	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccc(C(F)(F)F)cc1	477171999	REOHZPAHDPSDQF-PKOBYXMFSA-N	423.504	6.024	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccncc1Br	477467603	PKMNBOMAHRUSRI-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(C)o1	477556177	DVSJKQDMPLHDBX-OAQYLSRUSA-N	405.454	5.151	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccc(F)c(F)c1	478924489	RRHXCLZEDWTKPA-LJQANCHMSA-N	404.432	5.136	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(-c3cccc(Br)c3)cn2)c1	482507437	KOQCDFAABUCHNJ-UHFFFAOYSA-N	424.323	5.379	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1ccccc1Cl	483218823	FTRPHDCJKPVLCP-MRXNPFEDSA-N	418.909	5.448	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nc(O)c2c(-c3ccc(F)cc3)csc2n1	483235149	GBJYUDHDAZKFKQ-UHFFFAOYSA-N	411.458	5.506	30	20	HKED	
Cc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c(Br)s1	486585309	JEDMSXFCCVHDKR-UHFFFAOYSA-N	407.377	5.144	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(Cc1ccccc1)CC(F)(F)F	487381125	SQYSBRPYDGXLQQ-INIZCTEOSA-N	421.488	5.084	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1n[nH]c(-c2ccccc2Br)n1	488019469	XYQSUYUXNBDYGI-UHFFFAOYSA-N	413.344	5.328	30	20	HKED	
C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1ccc(C)cc1	498024151	DNPGCIUTVBYQSQ-UHFFFAOYSA-N	415.522	5.314	30	20	HKED	
CCC[C@@]1(C(F)(F)F)CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1	499531387	WBAYALUGSDSSNW-FQEVSTJZSA-N	406.404	5.067	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc(C(=O)OCC)cs1	501940187	RHBBFYHHEOGLSV-UHFFFAOYSA-N	416.499	5.020	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1	502404567	MLKBEIGZGYXIFG-UHFFFAOYSA-N	420.494	5.327	30	20	HKED	
O=C(NCC1CCC(F)(F)CC1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	504803166	WZLKNQOLZFMEDW-ZDUSSCGKSA-N	416.337	5.016	30	20	HKED	
C[C@@H](NC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccc(C#N)cc1	505325199	MDSLMKGEFRMNQW-SEIJQPCPSA-N	407.517	5.216	30	20	HKED	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(F)cc1C(F)(F)F	505577261	STLVCINGTPMEET-UHFFFAOYSA-N	422.344	5.324	30	20	HKED	
CC1(C#N)CCN(C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC1	509410799	LWVYOPWYZWSZFU-LJQANCHMSA-N	403.309	5.266	30	20	HKED	
CCN(C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)[C@@H](C)c1ccc(C#N)cc1	509564301	MIQTXIXEPZEJRU-ZDUSSCGKSA-N	417.456	5.719	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)nc(C)n1	511943339	NDBFHENMQFMFHR-AWEZNQCLSA-N	413.264	5.078	30	20	HKED	
N#CCCCOc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1	515715698	HPJFGMGYHBLBKA-RUZDIDTESA-N	409.489	5.887	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	517474247	WZQMHEGJXIXMNO-YWZLYKJASA-N	401.963	6.111	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(OCc2cccs2)c1)c1cccc(C(F)(F)F)c1	518320721	XPCYAIRUJUUURL-IBGZPJMESA-N	416.424	5.341	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1	519503880	PMXSISXZMDBFLN-OYRHEFFESA-N	419.569	5.067	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl	521730755	RIQNBYLTYYXBAF-LLVKDONJSA-N	421.374	6.712	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	524192275	GRHVFJXCRQRFHT-OALUTQOASA-N	422.598	5.285	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1ccccc1Cl	532473998	FANBMXOZVSJDMC-HZPDHXFCSA-N	401.963	5.366	30	20	HKED	
COC(=O)[C@@H](N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1cccc(C#N)c1	538322018	JWFYRYRTWOJJSE-OALUTQOASA-N	422.834	5.185	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1	541661087	OALITNGUPRDRLH-ZWKOTPCHSA-N	412.603	5.043	30	20	HKED	
C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1ccc(-c2cccc(C#N)c2)cc1	542060519	ZEKSHPSFIJZHOS-MRXNPFEDSA-N	418.443	5.344	30	20	HKED	
CC(=O)N1CCc2cc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc21	542925084	VWFQBPHRDVTDHS-KRWDZBQOSA-N	424.504	5.017	30	20	HKED	
C[C@@H](NCc1cccc(C#N)c1F)c1nc(-c2ccc(Br)cc2)cs1	543498117	VXHAILFWVDPFFN-GFCCVEGCSA-N	416.319	5.434	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	543562920	BXIFNHDSMBZSSH-OAHLLOKOSA-N	406.511	5.349	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)s1	545384971	ILXPFVRZKNLGJN-NSHDSACASA-N	420.325	5.465	30	20	HKED	
CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1sc2ccc(C#N)cc2c1C	551275657	WJYYDAHTHGAZTM-NRFANRHFSA-N	417.578	5.066	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)c2)o1	556625039	BOPSWCCAYAEPRS-OAQYLSRUSA-N	415.493	5.053	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@H](C#N)c1ccc(F)cc1	556939945	LSROKTHPFFQCHW-XMMPIXPASA-N	409.464	5.273	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)n2)c1	567205107	ULEWKCHRCGEGKO-UHFFFAOYSA-N	409.339	5.231	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2Cc2ccccc2)c1	572059536	UCVBOKYSDQOKNJ-QFIPXVFZSA-N	411.534	5.268	30	20	HKED	
O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccc(F)cc1C(F)(F)F	576262701	QNEYUNPFZUROLN-HNNXBMFYSA-N	404.285	5.359	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)ccn1	577567858	XZALKSOWJMPYAU-UHFFFAOYSA-N	416.440	5.537	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1c1nc([C@H](Oc2ccc(Br)cc2)C(C)C)no1	583467023	IPIOOYRWFJLQIC-BRWVUGGUSA-N	407.308	5.057	30	20	HKED	
N#CCCCn1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc21	584271483	GRIMGBQCCOADMQ-INIZCTEOSA-N	418.909	5.698	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Sc2ncccn2)cc1C	591509445	DFQMOJMXWAHNBW-UHFFFAOYSA-N	404.539	5.199	30	20	HKED	
C=CCOc1ccccc1CN[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1	600796882	CATYKVFFQUGHKV-VWLOTQADSA-N	416.521	5.038	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1cccc(CSc2ccccn2)c1	601152819	YWMAICZNNWDQND-UHFFFAOYSA-N	405.523	5.260	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H](c2ccc(Cl)cc2)C1	601187201	CHXPONSBUSHONI-FQEVSTJZSA-N	401.897	5.156	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(SCc2c(C#N)c(C)nn2-c2ccccc2)o1	609019085	YMLUYXMNRXXMAK-LJQANCHMSA-N	415.522	5.270	30	20	HKED	
COc1ccc(SCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	609064976	QBJGARPXVHHHQQ-UHFFFAOYSA-N	418.518	5.267	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc12	609067628	JZGKSRPPQFJLML-UHFFFAOYSA-N	424.432	5.121	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3ccco3)c2)c1	609641272	NRARWUYELKNDMH-RUZDIDTESA-N	408.457	5.250	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(OC(F)F)c(F)c3)c2)c1	609642499	ZXWDRVLWMXMAPC-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1C#N	609993369	UIDDWSJTXKAELF-UHFFFAOYSA-N	421.444	5.054	30	20	HKED	
C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1)c1cccc(C#N)c1	610355391	PFYJOTBAUCBVOZ-LJQANCHMSA-N	416.525	5.329	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC(Cc3ccccc3)C2)cc1F	610634057	BSGHTASNCOKTQX-UHFFFAOYSA-N	401.441	5.196	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OC(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	612894897	YWYHZPUZGBKIGV-OAHLLOKOSA-N	404.825	5.555	30	20	HKED	
CC(C)(C#N)c1ccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1	614318628	SYRYRUPCHWYOPW-XMMPIXPASA-N	412.512	5.508	30	20	HKED	
C=CCN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccccc1	643101297	UQIFTJIKLIXEKX-UHFFFAOYSA-N	401.491	5.201	30	20	HKED	
Cc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(C)n1CC(F)(F)F	678215127	DDOSZKQCICEANQ-OAHLLOKOSA-N	410.333	5.230	30	20	HKED	
C[C@H](NC(=S)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(Cl)cc1Cl	726485224	MIIYZBBFPWUNSN-ZDUSSCGKSA-N	404.366	5.465	30	20	HKED	
Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)c2ccccc2C1=O	726742309	OGURADHIMBZSRI-HKOYGPOVSA-N	422.484	5.405	30	20	HKED	
COc1ccccc1/C(C)=C\C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	727628696	WPBSMGUOIBNNGD-RMHQSFGDSA-N	408.910	5.752	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C/c1cccc(OC2CCCC2)c1	727952643	NZJIZZJHFKPUKS-TWLJRWAQSA-N	412.489	5.403	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2cc(Cl)sc2Cl)c1	728184664	AFGCQQWAQXFLSY-UHFFFAOYSA-N	412.319	5.025	30	20	HKED	
N#CCOc1ccc(CNCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1	729685388	PULUNDFNOIGZAJ-UHFFFAOYSA-N	412.411	5.690	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1	730394611	JEORVMKXUIJXSE-HNAYVOBHSA-N	417.317	5.755	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1	730686887	RPRVFRAMDIHBMN-HNAYVOBHSA-N	417.317	5.755	30	20	HKED	
N#Cc1ccc(CCC(=O)O[C@H](c2ccc(Br)cc2)C(F)(F)F)cc1	731147963	SOXYAUKCZLIULO-QGZVFWFLSA-N	412.205	5.100	30	20	HKED	
FC(F)(F)c1cc(Br)ccc1NN=Cc1c(Cl)nc2sccn12	731486678	ACPSBCCOLYNLGE-UHFFFAOYSA-N	423.645	5.277	30	20	HKED	
C#CC[C@H](OC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccn1	733692371	DPQNBGMRIOKIJM-QWPQOLDESA-N	413.317	5.440	30	20	HKED	
COc1cc(COC(=O)[C@H](C)c2ccsc2)ccc1OCc1cccc(C#N)c1	738828104	VEMQZVVLZHYCRU-MRXNPFEDSA-N	407.491	5.054	30	20	HKED	
Cc1ccc(C)c(C(=O)CCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	739749703	KYELDAYDNZYIMH-UHFFFAOYSA-N	402.519	5.183	30	20	HKED	
N#Cc1ccccc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	743455078	UBIBBFPZGBDJAF-UHFFFAOYSA-N	408.935	6.133	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)c(F)c2)cc1	744973577	JGIIJFUFIUPQJM-UHFFFAOYSA-N	413.408	5.080	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3cc(F)ccc23)cc1	747976406	YKJJLCFUYCETPV-QHCPKHFHSA-N	412.468	5.327	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2coc(-c3ccc(Cl)cc3)n2)cc1OC	749538738	RWHGNMKIRGTCCR-UHFFFAOYSA-N	421.280	5.606	30	20	HKED	
C=CCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1	749841404	ZMYAMESZPJTUKP-QFIPXVFZSA-N	404.476	5.339	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)c3ccc(F)cc3F)n2)cc1	752483297	LUMUEHJSGHGNLB-UGSOOPFHSA-N	412.461	5.467	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1OCC#N)c1ncc(-c2ccc(Cl)cc2Cl)o1	753353748	HKHXALSAVLRYTO-GFCCVEGCSA-N	417.248	5.469	30	20	HKED	
N#CC1CCC(COC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1	755973787	FZJAVDAXKKLVKU-UHFFFAOYSA-N	416.477	5.101	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cccc(C3SCCS3)c2)c1-c1ccccc1	757878264	ULBOGHCEQIEPBZ-UHFFFAOYSA-N	420.563	5.195	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccncc1	758488617	RNRGHKOMFBWZEV-KRWDZBQOSA-N	418.280	5.003	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1Cl)c1ccccc1	760430457	ROOBKLYANJEVGQ-QGZVFWFLSA-N	419.912	5.597	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2SC(C)C)ccc1OC	761681680	GQWABEBEKZVJEE-KRWDZBQOSA-N	413.543	5.198	30	20	HKED	
Cc1nc([C@H](C)ON=CC(=O)Nc2ccc(F)cc2)oc1-c1ccc(Cl)cc1	763172311	ZYLSKGFKLXIHKO-ZDUSSCGKSA-N	401.825	5.145	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1C1CC1	764751055	ZNURQFAGURRXJG-MRVPVSSYSA-N	422.316	5.059	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccc(Br)cc2C1	765183074	VVXOXEKBSYLVAK-CYBMUJFWSA-N	416.344	5.249	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)cs1	766507784	XYIAJDGUBXBUEW-UWYGHVLSSA-N	416.546	6.156	30	20	HKED	
CCOc1c(Cl)cc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1Cl	767189094	CJOMKWCXAGMIOD-UHFFFAOYSA-N	415.324	5.781	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	767589481	ULXYSXSKCKDAHF-VGSWGCGISA-N	415.541	5.485	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	767885040	WVZXTNZOVSCRQG-GDBMZVCRSA-N	403.404	5.018	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	770471293	ROTMYXBKZCNAGY-XHDPSFHLSA-N	417.303	5.568	30	20	HKED	
N#Cc1cc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)ccc1F	770570975	MDDQGUDSFRKVHN-SXGWCWSVSA-N	407.857	5.812	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)Cc1ccc(Cl)cc1	772642597	YUPGYVBPFMXNPX-CJNGLKHVSA-N	401.844	5.530	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)CSCc1ccccc1	772970230	BCMHRYDYGGUFAS-UTKZUKDTSA-N	408.567	5.028	30	20	HKED	
C[C@H](CCCc1ccccc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	776074325	KFZKAXXGIHQLCL-CRAIPNDOSA-N	419.550	5.111	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2cccc(CSC3CCCCC3)c2)n1	788604772	LAPQISAOXDBVID-UHFFFAOYSA-N	410.587	5.136	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1	788961148	RAGNSZGOQSBHBL-ZDUSSCGKSA-N	400.356	5.509	30	20	HKED	
Cn1cc(CNc2ccc(OC(F)F)c(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1	793316743	FXYZNHHXFIONFB-UHFFFAOYSA-N	422.357	5.191	30	20	HKED	
COc1cccc2c1CC/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O	799502782	QOIKGTYUETTYEQ-GHRIWEEISA-N	418.518	5.357	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n[nH]c1C1CC1	806256578	ZTWVSHWVBXEMQI-UHFFFAOYSA-N	421.888	5.344	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CC2	815925915	VZHBXAHRWCMWCA-KBPBESRZSA-N	410.445	5.003	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(C(F)(F)F)s4)no3)cc2)nc1	904970019	AQMBUHKFNBFLBC-UHFFFAOYSA-N	414.368	5.543	30	20	HKED	
FC(F)(F)c1ccc(NN=Cc2cc(Cl)ccc2OCc2cccnc2)nc1	914692019	KTOFXPPYZFFBJD-UHFFFAOYSA-N	406.795	5.174	30	20	HKED	
CC(C)c1noc([C@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	914881582	CUDZZQTWVXVGSB-HNNXBMFYSA-N	407.495	5.275	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1	915443702	QKTXTNXSXIEZRO-UHFFFAOYSA-N	424.500	5.095	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916681171	PSGBQQWYUUYVSO-HXOBKFHXSA-N	403.913	6.220	30	20	HKED	
O=C(Nc1ccccc1)c1cccc(CON=Cc2ccccc2Br)c1	917394852	SDFZIAUXRRQJCL-UHFFFAOYSA-N	409.283	5.252	30	20	HKED	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806234	IXVGNZFERGRDLI-SUMWQHHRSA-N	424.472	5.221	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1	921252249	FYHMKMUEAVKFIM-QUCCMNQESA-N	412.967	5.804	30	20	HKED	
CCN(C(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1ccc(C#N)c(Cl)c1	1435579751	ZOWARIKYWPNBMK-UHFFFAOYSA-N	412.276	5.299	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1	7632590	NNEFCDWEPIHTKZ-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccccc1OC	10118288	ATDBNOGTZYPCLZ-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccccc2CC)cc1	10167636	LQORWKCNICLXIW-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)c1C	10168146	VOXJFGKKFUHNSX-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(COCC(F)(F)F)cc1	21046528	PUBYAVKBGPBFSI-UHFFFAOYSA-N	424.422	5.234	30	20	HKED	
Cc1cccc(OCCCNC(=O)c2ccccc2Sc2ccccc2C#N)c1	26563140	NWIMWTHTKXMDSO-UHFFFAOYSA-N	402.519	5.217	30	20	HKED	
Cc1cc(NCc2cccc(NC(=O)C3CCC3)c2)n2c(nc3ccccc32)c1C#N	26775218	VJFNDIKHLLANGQ-UHFFFAOYSA-N	409.493	5.018	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(OCc2ccccc2)CC1	43995840	VSJQCNGUOVNZDY-UHFFFAOYSA-N	416.546	5.361	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	55823980	LRTYGPGEBNPMCB-HKUYNNGSSA-N	416.443	5.639	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1	63392805	MQPMYYNWMIFVFT-UHFFFAOYSA-N	415.468	5.496	30	20	HKED	
CCCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@H](C)c1cc2ccccc2o1	64820625	MCVJNCBXMBQMRR-GOSISDBHSA-N	420.509	5.472	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)cc1	65082179	QZCRVBAUAXDUMK-UHFFFAOYSA-N	412.489	5.316	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)c1	426168849	VQLAZCGOPMCNEG-QFIPXVFZSA-N	420.497	5.542	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1	429083283	XGXIAZFARQJABZ-UHFFFAOYSA-N	417.431	5.442	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	430603331	YAPMLVZRBQVMRK-UHFFFAOYSA-N	403.438	5.358	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)s1	430614006	XGMHIYZEGRXYKR-GFCCVEGCSA-N	419.337	5.423	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)NCc1cccc(C#N)c1	431712519	SJOGZXLPCQRJFW-UHFFFAOYSA-N	403.507	5.181	30	20	HKED	
N#Cc1cccc(OCCSCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1	437293871	OOSPKGZNNRFOJX-UHFFFAOYSA-N	406.294	5.227	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1OCC(F)(F)F	438337353	YHZXXPRZYJVPHN-OALUTQOASA-N	417.431	5.240	30	20	HKED	
C=CCN(C(=O)CC(C)(C)Cc1ccc(Cl)cc1)c1nc(C(=O)OCC)cs1	439105078	BXQVGZKTNUOAOQ-UHFFFAOYSA-N	420.962	5.151	30	20	HKED	
CCc1c(C)sc(NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)c1C#N	443527649	BQUVTMMQLCGZLE-UHFFFAOYSA-N	415.515	5.323	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c2ccccc21	444147406	WLADVDDDODKSRZ-UHFFFAOYSA-N	403.873	5.036	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)o2)c1	445991697	MQROYHWOKPOOQL-MOPGFXCFSA-N	412.415	5.053	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2ccc(F)c(F)c2)nnc1-c1ccncc1	463028715	OPSXFNBNNIGKIX-OAQYLSRUSA-N	420.488	5.686	30	20	HKED	
N#C[C@@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccc(Cl)c(Cl)c1	464410315	ZYXVMDQRNXFORB-CYBMUJFWSA-N	409.141	5.285	30	20	HKED	
CC(C)c1nccn1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	468434365	GOVYYAVGXUUUOR-HXUWFJFHSA-N	406.917	5.344	30	20	HKED	
Cc1ccc([C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)c2ccccn2)cc1	471289714	XSIAIRXCMPBYCV-SANMLTNESA-N	418.500	5.096	30	20	HKED	
CC1(N(Cc2ccc3c(c2)OCO3)C(=O)c2cccc(SCC#N)c2)CCCC1	472808679	VXORCGMGUSIFOA-UHFFFAOYSA-N	408.523	5.006	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)n1	474437676	PDPSHDHVYUNBEU-FQEVSTJZSA-N	401.491	5.207	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2ccc(C(C)(C)C#N)cc2)cc1	475900544	NXBQJPOLXSYPGG-VWLOTQADSA-N	411.549	5.697	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(C)c1I	476139140	IJQYQPHMFYYDGU-UHFFFAOYSA-N	419.306	5.704	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1	476366185	APBKCXXBFYIBFG-JKSUJKDBSA-N	401.963	5.366	30	20	HKED	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	480308741	TWSFCRJRAORWAX-QHCPKHFHSA-N	421.541	5.145	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1	481938484	GGOAAWDVDYDLIH-UHFFFAOYSA-N	406.433	5.173	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2cnc3ccccc3n2)oc2c(C)cc(Br)cc12	483197398	LCVXEIJZUHICJA-OAHLLOKOSA-N	420.266	5.245	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1	485488751	IXLYJTLXELJZOH-UHFFFAOYSA-N	406.595	5.093	30	20	HKED	
Cc1ccc(-c2nnc(SCc3cccc(F)c3C#N)n2Cc2ccco2)cc1	488279052	JGAKLWMZSDQMCI-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C=C(C)CN(CC)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2	497486465	PSKKDCZADKVOGJ-UHFFFAOYSA-N	411.855	5.071	30	20	HKED	
CCCn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1	497897768	BJIPDUBJCVUPNY-HXUWFJFHSA-N	418.928	5.732	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)F)n2)c1	501163252	LYOPECCVHNIWFN-JKSUJKDBSA-N	411.433	5.025	30	20	HKED	
O=C(NC[C@H]1CCCC(F)(F)C1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	504803357	YELRYFUYZPWMHC-GWCFXTLKSA-N	416.337	5.016	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nc(-c2ccc(Cl)cc2)n1	505383598	AUYAWDBMPCODAE-IFMALSPDSA-N	416.912	5.017	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)s1	505977289	RNCXRLOUSQWOSK-MRXNPFEDSA-N	401.413	5.132	30	20	HKED	
N#C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccc(Cl)c(Cl)c1	505992753	RQELOPHZCRNDSA-ZDUSSCGKSA-N	420.040	5.029	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3cccc(Br)c3)cn2)c1	510058740	WYXQDIHCKQGSDL-UHFFFAOYSA-N	412.674	5.288	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1	510886942	GNFYAPLIRYLQLL-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3ccccc3Br)cc2)c1	511910752	XHMUQONIQWQJRP-UHFFFAOYSA-N	421.294	5.081	30	20	HKED	
N#Cc1c(NC(=O)COc2ccc(Oc3ccccn3)cc2)sc2c1CCCCC2	514386486	UWKNBXQYQOXDBY-UHFFFAOYSA-N	419.506	5.093	30	20	HKED	
COc1ccc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH]c2c1	515576947	CZDWQEJVCUYBJG-UHFFFAOYSA-N	411.461	5.074	30	20	HKED	
COc1ccc(Br)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	515690103	ZFHCYBKTESDPSP-UHFFFAOYSA-N	413.296	5.310	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1	518207214	BWYKMVGKTULRRR-QGZVFWFLSA-N	411.571	5.333	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)cc2)c1	518256194	PPWYELUEJQIBED-DNQXCXABSA-N	413.477	5.392	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1N1CCC[C@@H](C)C1	518338685	ONBGSKFEFGOKGB-MOPGFXCFSA-N	423.582	5.335	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)o1	521788228	CWFQTCUWHLUFQE-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)c2)c1	522303033	IFOICYJFWNAJEY-JOCHJYFZSA-N	416.908	5.420	30	20	HKED	
CC(C)(C)Oc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	523729925	VMXJDOGTJYOLBM-UHFFFAOYSA-N	400.478	5.567	30	20	HKED	
N#CCCn1cc(CNCc2ccc(-c3ccccc3C#N)cc2)c(-c2ccccc2)n1	536894729	WWAAKVBRLDLDSU-UHFFFAOYSA-N	417.516	5.292	30	20	HKED	
COc1cc(CN[C@H](C)c2c(F)cccc2F)ccc1OCc1cccc(C#N)c1	538125309	UGOBZQWJTJKQGJ-MRXNPFEDSA-N	408.448	5.275	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cccc(Cl)c1Cl	538215137	NRAFLLDNBWJYSN-UONOGXRCSA-N	422.381	5.677	30	20	HKED	
Cc1cc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)o1	539551261	PWNVBWSKUMMSJN-GOSISDBHSA-N	400.887	5.006	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	539615989	MCRDDDRONQFUTH-HSZRJFAPSA-N	417.459	5.167	30	20	HKED	
C=CCN(C(=O)c1ccc2c(c1)nc(C(F)F)n2C)c1nc(-c2ccccc2)cs1	540602534	LUWITHZQTAXRMF-UHFFFAOYSA-N	424.476	5.467	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CCCO)CC2)cc1Cl	541085261	BIBKQFQMJSPONN-NRFANRHFSA-N	411.933	5.012	30	20	HKED	
C[C@@H](N[C@H](C)c1nnc(-c2cccs2)o1)c1ccc(-c2cccc(C#N)c2)cc1	541086966	SOQLYUCBVWBABK-HZPDHXFCSA-N	400.507	5.749	30	20	HKED	
CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1c(C)noc1C	541120173	OCFMYJVRTYJPIA-OYHNWAKOSA-N	402.498	5.342	30	20	HKED	
CCc1nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1	541192986	CNICRPRRLHROAQ-GFCCVEGCSA-N	421.263	5.063	30	20	HKED	
Cc1cc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)on1	543053330	XHZZBWBVKIUSJP-GFCCVEGCSA-N	406.248	5.414	30	20	HKED	
CCO[C@H](C)c1nc(CC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	543893780	AOPKOTYSOOEFBM-IAGOWNOFSA-N	419.550	5.199	30	20	HKED	
FC(F)Oc1cc(OC(F)F)cc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c1	545744789	AYRWROVUMILBJK-UHFFFAOYSA-N	423.244	5.020	30	20	HKED	
N#Cc1cccc(C2(NCc3cnc(-c4ccc(Br)cc4)s3)CC2)c1	551227365	MLBCUNGZACQJLK-UHFFFAOYSA-N	410.340	5.223	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1ccccc1	554391900	IRPVHBYQNCNIOJ-AREMUKBSSA-N	409.533	5.414	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)CC1CCOCC1	555256460	WDIMMBFMAUNECF-LJQANCHMSA-N	420.557	5.010	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CN2CCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1	558180522	DYZVZOULSJCVLJ-QGZVFWFLSA-N	423.488	5.174	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	562084959	QCKQDOAGLUCMQT-RDTXWAMCSA-N	403.404	5.114	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	567550055	SLADISVLDPOGRS-QGZVFWFLSA-N	416.481	5.415	30	20	HKED	
CC[C@@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1	577227253	SZXYBOICKHDDRA-BVKKKHPASA-N	407.989	5.866	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3Cl)cc2)ccn1	581279713	HSZGPXZUGZFPRK-QFIPXVFZSA-N	418.884	5.768	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC3(CCOCC3)CC2)cc1Cl	585751617	OASHMSNQZANZEU-UHFFFAOYSA-N	410.901	5.037	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	586783619	CJKYWCNBIWRELV-UWVGGRQHSA-N	404.301	5.655	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC4CCCC4)c3)n2)cc1	595869333	KIABJYVZINAXAY-OAQYLSRUSA-N	418.518	5.630	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	603968420	PODNBKYDWBYCQP-UHFFFAOYSA-N	418.478	5.047	30	20	HKED	
Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC(F)F	604098497	RJGDHZIGPIHKSG-UWVGGRQHSA-N	420.300	5.191	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)cc1	604461327	AMZMALOTVCUMSI-QHCPKHFHSA-N	401.441	5.859	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1OCC	605363648	WOMJSGNYXYSRLG-HNNXBMFYSA-N	411.889	5.202	30	20	HKED	
Cc1ccccc1CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1	608995781	ZJPSWNRKHVENAP-UHFFFAOYSA-N	424.504	5.316	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1	609080300	GMHBBHQDJACERB-HXUWFJFHSA-N	419.431	5.339	30	20	HKED	
CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1cc2ccccc2n1CC#N	609215719	LBYPHJCCMKWEBS-QGZVFWFLSA-N	401.510	5.496	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(C)C	609287015	QTIDWODAGIHKRP-QGZVFWFLSA-N	407.297	5.031	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCc2ccccc21	609381673	IECYZKFMMCNUAE-KRWDZBQOSA-N	404.457	5.770	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1	609398726	MQCQNUSFYHSALQ-GJZGRUSLSA-N	421.488	6.182	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	609712341	AZAGEWOFCJJKDS-RBUKOAKNSA-N	422.598	5.428	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1	611467686	YDEGKPBOZMBHSV-UHFFFAOYSA-N	416.506	5.172	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc2c(cc1OCC)C[C@H](C)O2	611744805	NIDLBNRVLLXWEE-AWEZNQCLSA-N	420.962	5.021	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C1	612236786	OECCSFIRAYEWEG-QHCPKHFHSA-N	408.498	5.630	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc2cc(Cl)ccc2s1	613407292	PAGYEDNNABKYPR-OAHLLOKOSA-N	422.918	5.732	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nc1	616094783	MTGPZVAWZIQAMD-UHFFFAOYSA-N	420.900	5.158	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccc(C#N)c(Cl)c2)c2ccc(OC)cc2)cc1	619754953	PDCKDLSSCURSCF-XMMPIXPASA-N	406.913	5.302	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642399444	RHFYXWGYDDYDNU-NXEZZACHSA-N	422.291	5.736	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1C(F)F	676164882	MFSZPIFRUPNFJF-UHFFFAOYSA-N	419.247	5.270	30	20	HKED	
N#C[C@@H](C(=O)c1cnc([C@@H]2CCCO2)s1)c1nc2cc(C(F)(F)F)ccc2s1	677710790	UJVWEPUKUBDWAW-JQWIXIFHSA-N	423.441	5.113	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1	684629706	CUXUIZDVMCKADS-MRXNPFEDSA-N	401.853	5.596	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3O)ccc21	726429743	QQVUEYDAMUZBSK-UHFFFAOYSA-N	417.849	5.002	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1cccc2ncccc12	726520311	BQQASARXELTVSL-UHFFFAOYSA-N	415.474	5.008	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cnc(-c2ccccc2)nc1	728441767	PLQIPYIJLOHFOJ-VAWYXSNFSA-N	401.466	5.611	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12	729091042	XIQPVNSQFMSMQX-CQSZACIVSA-N	407.445	5.297	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(C(=O)OCc3ccccc3)c2)cc1Cl	729944224	AQLZJQJSJVOFOS-UHFFFAOYSA-N	421.909	5.378	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)c(F)c2)c(F)c1	730449009	RNDAPDJRNCBPAO-UHFFFAOYSA-N	410.445	5.315	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	731288839	YPVNZVRZEGCIFT-CEXWTWQISA-N	401.416	5.565	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1	732877525	FQMUSXYFJHGEDA-DEOSSOPVSA-N	411.505	5.169	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2OC2CCCC2)ccc1OC	733625196	VCMGBXHZDUOPLX-GOSISDBHSA-N	423.513	5.019	30	20	HKED	
N#C[C@@H](C(=O)CCc1cscn1)c1nc(-c2ccc(Cl)cc2Cl)cs1	733679753	NOHOKVBOHFWHSK-ZDUSSCGKSA-N	408.335	5.382	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1	734101620	SISLXCYWFPOUCP-UHFFFAOYSA-N	400.482	5.091	30	20	HKED	
Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	734205097	CVDNXKFLOJSRAT-CLJLJLNGSA-N	409.533	5.890	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CSCc3ccc(Cl)cc3Cl)[nH]c12	735787863	AAPCDOZKXRUMLB-AWEZNQCLSA-N	404.322	5.288	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnc(-c3ccncc3)s2)c1	741557750	YHBZNCGHTYFGPM-UHFFFAOYSA-N	401.516	5.095	30	20	HKED	
Cn1cc(/C=C/C(=O)c2c(Cl)nc3sccn23)c(-c2cc3ccccc3o2)n1	741844471	PHZCIIADOVCFML-VOTSOKGWSA-N	408.870	5.092	30	20	HKED	
CSc1cccc([C@H](NCc2ccc(OCC#N)cc2)c2ccc(F)c(F)c2)c1	742264163	SKADQQZEWMUKJZ-QHCPKHFHSA-N	410.489	5.468	30	20	HKED	
C[C@@]1(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCc2ccccc2C1	744038444	VBMPEUKXHBDPER-HRAATJIYSA-N	414.452	5.687	30	20	HKED	
COc1ccc(OC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC	744320563	APOOGIAINCTVKB-UHFFFAOYSA-N	405.475	5.087	30	20	HKED	
CC[C@H](C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	750683953	JXKDKMJOFPBELM-UGSOOPFHSA-N	418.465	5.140	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2scnc2C)cc(Br)c1OC(F)F	750907127	UOJTVVKILIJXKM-SNAWJCMRSA-N	418.259	5.110	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1C#N	752176460	YOESRMFLADBRCZ-UHFFFAOYSA-N	421.482	5.203	30	20	HKED	
COc1cc(C=NO[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)ccc1OC(F)F	752753704	KAAPLYKOPSCYSY-GFCCVEGCSA-N	422.815	5.717	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(Br)c(Cl)c2)c2ncc[nH]2)c1	754828261	RQPZZRUWBHQYNG-OQLLNIDSSA-N	417.690	5.258	30	20	HKED	
CC(C)[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1ccccc1C(F)(F)F	754900704	LSTAZUWZGSJYML-QGZVFWFLSA-N	424.806	5.051	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	759334191	UIANZMYBLSPFTN-GMAHTHKFSA-N	410.521	5.184	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2cc(C)ccc2C)c1=S	761831806	OXINLGXXURFIMK-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
COc1ccc(CNc2ccc(N3CCCCC3)c(Cl)c2)cc1OCCCC#N	770529552	OUVYGDZDYWVDFD-UHFFFAOYSA-N	413.949	5.634	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	771964785	UQMOSMGDIJFIKY-KRWDZBQOSA-N	416.365	5.695	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(C(F)(F)F)CC3)n2)cc1	774061320	CMVKADBCDJAQKR-UYSNPLJNSA-N	403.429	5.227	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)c2ccc(C3(C#N)CC3)cc2)oc1-c1ccc(Cl)cc1	777176944	RCTABNTUAKRXFJ-OAHLLOKOSA-N	406.869	5.777	30	20	HKED	
N#CC1(COC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CCOCC1	780548260	VSRNXCWHKWPMNU-UHFFFAOYSA-N	403.809	5.051	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2C)nc1C)c1ccccc1	787033702	WPZAYNXRJXRNIB-UXHICEINSA-N	417.534	5.017	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2c(Cl)cccc2SC(C)C)ccc1OC	790056570	VCUUBIHAURXTPB-QGZVFWFLSA-N	418.990	5.820	30	20	HKED	
COc1cccc([C@@H](C)CCCC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c1	790960243	XEPVUPRAWDXUTL-ZDUSSCGKSA-N	401.850	5.041	30	20	HKED	
COc1cc(/C=C2\CSc3ccc(Cl)cc3C2=O)cc(Br)c1O	797241251	ACIKZQBUOIMAQV-ONNFQVAWSA-N	411.704	5.189	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C	798055581	NWYPUNUDFJGPIG-UHFFFAOYSA-N	417.490	5.449	30	20	HKED	
CC(=C/c1ccccc1C(F)(F)F)/C=C(/C(=O)C(=O)O)c1ccc2ccccc2n1	799888131	AOWQPWRWLQLXAQ-XSZMWJROSA-N	411.379	5.394	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1	810261162	BJZLLUMIGIQXSO-ZEQRLZLVSA-N	419.569	5.571	30	20	HKED	
N#CCCC[C@H](NCc1sc(Sc2ccccc2)nc1Cl)c1ccccc1	814304557	NUWUPDNHERHWPX-SFHVURJKSA-N	413.999	6.472	30	20	HKED	
C[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	912697918	BYFZLFVNIHNVFK-LURJTMIESA-N	415.305	5.520	30	20	HKED	
CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S	914783016	BVXGJZOMDIQCKM-UHFFFAOYSA-N	407.543	5.140	30	20	HKED	
COc1cc(C(=O)/C=C\c2c(OC(F)F)ccc3ccccc23)cc(OC)c1OC	916137875	JMKDSQFFOXDADT-KTKRTIGZSA-N	414.404	5.363	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccc(Cl)cc1	916884685	FJDWRVGMUOZXMF-IBGZPJMESA-N	402.837	5.129	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)ccc2c1	916936525	NOJPBEYCRPBGEN-FOTOIKQHSA-N	422.843	5.002	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc2ccccc2c1)C(=O)Nc1ccc(SC(F)F)cc1	917424146	DOJWFURSCQLNMX-FQEVSTJZSA-N	424.472	5.435	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2sccc2s1	918486606	DGFHWIGTIFDHPG-LLVKDONJSA-N	408.476	5.239	30	20	HKED	
O=C(c1ccc(SC(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	918672539	TUPUOUPVHHGHJY-NXEZZACHSA-N	407.326	5.204	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1	920142585	LMHDMHNUJOBWGC-OAHLLOKOSA-N	417.317	5.544	30	20	HKED	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1	1790707140	DKIGQAWQUILOKB-UHFFFAOYSA-N	415.537	5.247	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC(F)(F)C2)CC1	1823694656	YLUZGAZYOOVKCN-UXHICEINSA-N	424.576	5.034	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1	1823749176	DKNIHJFYFSAOGR-VQTJNVASSA-N	424.576	5.034	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2F)cc1	11170700	DEQCTHQWXSJXSI-UHFFFAOYSA-O	415.460	5.005	30	20	HKED	
C=CCN(C(=O)c1nc(-c2ccccc2)oc1C)c1nc(-c2ccccc2)cs1	14723781	CMXCPYOQSDZGRZ-UHFFFAOYSA-N	401.491	5.606	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1	57614641	IWKQZJBNRXTMPN-UHFFFAOYSA-N	400.434	5.161	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	109234484	PNAMKKRGMVBOHR-ZDUSSCGKSA-N	424.394	5.017	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1	195621582	FVNHZXPBPGYTOO-UHFFFAOYSA-N	420.472	5.666	30	20	HKED	
CC(C)CCC[C@@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1	301219268	ZERAZJPDGVXWMJ-GOSISDBHSA-N	423.582	5.234	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1cccnc1	302703052	UTTDPVIEYFLFBA-OAQYLSRUSA-N	418.953	6.061	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nc(-c2ccccc2)cs1	431164119	SIMGVUYFMLIVPG-NRFANRHFSA-N	423.497	5.297	30	20	HKED	
CCCOc1cccc(CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	432639900	BVKZNGZWNVSWJP-UHFFFAOYSA-N	401.466	5.024	30	20	HKED	
COc1ccc2nc(/C=C/c3cn(CCC#N)nc3-c3ccncc3)ccc2c1Cl	432697201	QTMDGCGOQBBOHF-ONEGZZNKSA-N	415.884	5.239	30	20	HKED	
Cc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1OC1CCOCC1	432952879	BCTIUIUUNCUKCO-JOCHJYFZSA-N	407.514	5.110	30	20	HKED	
CC(C)(OCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(F)(F)F	433535748	XLYRWCGBCVCCPT-UHFFFAOYSA-N	412.795	5.300	30	20	HKED	
Cc1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)n1Cc1ccccc1	434641963	BJHHVEREQPSKNX-UHFFFAOYSA-N	424.573	5.627	30	20	HKED	
CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)C2	435595281	BEHUVCXXMXJDFK-KRWDZBQOSA-N	409.555	5.317	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(COC2CCCC2)cc1	438303664	UBXPBUQPFFWCAG-BJKOFHAPSA-N	403.526	5.449	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2ccc(Oc3ccccc3)nc2)cc1C(F)(F)F	438644185	HMPAOEVFWWGAFO-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1	440259680	MAVAVHWUXCVZIZ-IBGZPJMESA-N	404.539	5.230	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)O[C@@H]2CCC[C@H]21	440935367	JUCKNAPUUNYLPD-FGZHOGPDSA-N	405.498	5.223	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1	441470400	JKXZHBSTBKBYQC-SFHVURJKSA-N	424.504	5.477	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	442676799	BLAUQVROMVYOHC-QGZVFWFLSA-N	419.893	5.917	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C4CCCC4)nc3C)n2)cc1	442868333	BXXFKVGKNOZBPM-KRWDZBQOSA-N	423.563	5.731	30	20	HKED	
CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cc(Cl)ccc1C#N	445726013	QPXAZUCXGIOMEU-UHFFFAOYSA-N	420.774	5.647	30	20	HKED	
C[C@H](CC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(F)c(Br)c1	462246078	KAOLAAOAUVXJSR-AUUYWEPGSA-N	403.295	5.243	30	20	HKED	
C=CCOCCCC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C	463339410	HQJPINVGRUJTMH-XLIONFOSSA-N	422.956	5.839	30	20	HKED	
O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1ccc(F)cc1C(F)(F)F	464842806	LYWSWNLHDYALMC-UHFFFAOYSA-N	415.330	5.140	30	20	HKED	
COCCCOc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	464926507	MGVNSXKPYDLMKO-UHFFFAOYSA-N	416.477	5.327	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccccc1OC(F)(F)F	465252229	JKMGAQQTCMKZTQ-CQSZACIVSA-N	423.460	5.344	30	20	HKED	
C=C(C)C[C@H](C)C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1	466441351	KCHRYVPCBWMITM-INIZCTEOSA-N	409.461	5.038	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	466563491	BYPLERIFSSIRDM-AWEZNQCLSA-N	407.461	5.730	30	20	HKED	
Cc1c(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)ccc(C(F)(F)F)c1F	468031369	VPOODLMNSNNYGL-UHFFFAOYSA-N	414.346	5.293	30	20	HKED	
Cc1ccc([C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc2)cc1	469152630	CVQSILWZLCGACT-MHZLTWQESA-N	409.533	5.780	30	20	HKED	
CC[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[C@@H]1c1ccccc1	470019744	HWKFYXUJEIGDKF-XXBNENTESA-N	414.505	5.386	30	20	HKED	
Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)n1	474420992	IZWSQDXBRUNSIK-UHFFFAOYSA-N	402.523	5.298	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cnn1C1CCCC1	475251207	VFJRFLLAFYPDSL-UHFFFAOYSA-N	414.509	5.785	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	475599199	BBJIBEONWJBLRA-XMMPIXPASA-N	409.489	5.061	30	20	HKED	
CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C[C@H](CC#N)c1ccccc1	476107922	ILEAGAWBAVDZIQ-SFHVURJKSA-N	411.343	5.027	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1ccccc1	476853509	QZSOIYFFFLGCAB-UYAOXDASSA-N	412.917	5.314	30	20	HKED	
N#CC1(N(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C2CC2)CCC1	477392149	KTVDEBXNDMUYIN-UHFFFAOYSA-N	401.485	5.344	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)csc1Br	478104823	WDARPLBHAJCFNN-SECBINFHSA-N	411.733	5.572	30	20	HKED	
Cc1nc(N[C@@H](CCC#N)c2ccccc2)nc(N[C@@H](CCC#N)c2ccccc2)n1	480442663	JBWOWZQWBUWLKU-VXKWHMMOSA-N	411.513	5.094	30	20	HKED	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1	481047409	LQEXEGBCWQNRKF-KKSFZXQISA-N	412.917	5.327	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483199883	OGSKQIQWRSDWDY-AWEZNQCLSA-N	409.923	5.872	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	483702999	RAMUWEDJPHALJO-UHFFFAOYSA-N	417.465	5.194	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(CC(F)(F)F)C3CCCC3)cc2)cc1	485237821	OVVAXGCUZWFBNC-UHFFFAOYSA-N	402.416	5.492	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccncc2)n1C1CCCCC1	488884506	BMOOERKJPZLNKO-UHFFFAOYSA-N	417.582	5.939	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccsc4)s3)n2)cc1	491974382	BNKJVFKZEUWKGK-OAHLLOKOSA-N	407.545	5.794	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)o1	501609222	UZGHOHJQKNVKKK-LJQANCHMSA-N	420.896	5.231	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	505938352	LSXHXXUUIHEZIT-QGZVFWFLSA-N	415.440	5.056	30	20	HKED	
Fc1cccc(F)c1[C@H](NCc1nc2cc(C(F)(F)F)ccc2o1)C(F)(F)F	506290813	CYGNDCRQTHZZIC-HNNXBMFYSA-N	410.264	5.518	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(Cc2cn(CCC#N)nc2-c2ccccc2)C2CC2)o1	506541664	QYYUQDLSECJKDD-FDDCHVKYSA-N	400.526	5.345	30	20	HKED	
COc1ccc(C)cc1C1(CNC2CCC(C#N)(c3ccccc3)CC2)CCOCC1	507651420	FIUOBBYWNJZLDR-UHFFFAOYSA-N	418.581	5.046	30	20	HKED	
C[C@@H](CCc1ccco1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510023283	LVLMMIKCEKZATP-HRAATJIYSA-N	407.901	5.731	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)NC[C@H](C)c1ccccc1	510174936	ZGDVJZJURWXWNL-ROUUACIJSA-N	401.535	5.021	30	20	HKED	
N#CCCn1cc(/C=C/c2nc([C@H](F)c3ccc(Cl)cc3)no2)c2ccccc21	512018489	YDWOMHCTTZSPPE-OGECGYFKSA-N	406.848	5.821	30	20	HKED	
N#Cc1cc(F)ccc1CSCc1nc(-c2ccc(Br)s2)no1	512220684	XURXTYNTDAGVSA-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2C)cc1Cl	514559397	ICKQMIGGEMMTLP-UHFFFAOYSA-N	420.944	5.433	30	20	HKED	
C=CCc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1OC	515540344	PGRYSZYANHGRLH-HNNXBMFYSA-N	412.898	5.185	30	20	HKED	
CCc1nc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1	516322912	HBBDMLCECHMKNI-UHFFFAOYSA-N	420.538	5.014	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2	517455583	TZXXYCISQDVVOL-ZDUSSCGKSA-N	402.903	5.005	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1cccc(Cl)c1Cl	518207463	LQAZPVUJCZXNKC-QGZVFWFLSA-N	414.317	5.534	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	518906457	GDYKRVZBEWLIPK-NHCUHLMSSA-N	400.444	5.365	30	20	HKED	
Cc1cc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n(CCC#N)n1	519441769	HQGKFBGDBYVPDO-UHFFFAOYSA-N	416.525	5.234	30	20	HKED	
C[C@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccc(C#N)cc1	520712521	KESZYPZOJMVTJU-KRWDZBQOSA-N	404.897	5.211	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	523878267	IWHDUCLHAXXREK-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2cccc(CSCc3ccccc3)c2)CC1	523904174	WWWLEINBIQPBHM-UHFFFAOYSA-N	409.599	5.282	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H]1CCc2ccccc21	524438250	XQNIJLKYIFDAGF-VWLOTQADSA-N	411.505	5.597	30	20	HKED	
CCCOc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc2ccccc12	524470059	KBMPXVMLSOXKJT-GOSISDBHSA-N	414.490	5.032	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1	524474483	UZOFUXULIUVFQW-IBGZPJMESA-N	409.470	5.237	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)cn1	525167305	WUYMNUSLFIYRLJ-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)nc(-c2ccc(Cl)cc2)n1	536180366	URBYLUCXALSBRI-OAHLLOKOSA-N	404.882	5.205	30	20	HKED	
C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1	539685459	OEVUMXQGOVQFHV-GOSISDBHSA-N	424.504	5.377	30	20	HKED	
C[C@@H](NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1ccc(C#N)cc1	539795581	ZYQPUJQDKMWOCC-OAHLLOKOSA-N	419.422	5.308	30	20	HKED	
N#Cc1ccc(/C=C\c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)cc1	544945267	QNTICBLITWDMBC-SEYXRHQNSA-N	410.408	5.170	30	20	HKED	
C=C(C)Cn1c(-c2sccc2C)nnc1N(C)Cc1nc(C(F)(F)F)cs1	549691016	RGORAOXDWPMFST-UHFFFAOYSA-N	413.494	5.003	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc2c(F)cccc2c1	550848245	ZJPXOMZIRJATTA-UHFFFAOYSA-N	419.403	5.651	30	20	HKED	
CC(C)CN(C(=O)c1ccc(F)c(C#N)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1	551262877	BAVKMQMNFYCRQH-UHFFFAOYSA-N	424.457	5.032	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)o2)cc1	555338728	LHQKCTLHCCOKOK-INIZCTEOSA-N	419.387	5.384	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1ccoc1C	556903062	AJLXLJRCDXOFQB-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
C[C@H](c1ccccc1)N(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1	558313897	YXZCGDSLHOWVJQ-GOSISDBHSA-N	424.504	5.568	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccs1	559162164	IJWDDNFULDKGOI-OAQYLSRUSA-N	405.571	5.060	30	20	HKED	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	560763920	NSPUMNAJNKCRNR-HKUYNNGSSA-N	406.501	5.057	30	20	HKED	
CSC[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1	561907561	JKPIVVYOAIPMGC-HNNXBMFYSA-N	400.931	5.219	30	20	HKED	
N#C[C@H](C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)c1cnc2ccccc2n1	561983644	BPYWNXJSHPEUCX-SFHVURJKSA-N	423.863	5.112	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1-c1ccc(Cn3cccn3)cc1)CC2	570977768	DHHPQGXMGDHIQE-MHZLTWQESA-N	404.517	5.247	30	20	HKED	
Cc1ccc2sc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cc2c1	576628816	IEAZCFQAQLZAKW-UHFFFAOYSA-N	403.507	5.045	30	20	HKED	
N#Cc1ccc(/C=C\c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1	577247407	LLNDEQBLGXTZBJ-HJWRWDBZSA-N	408.339	5.452	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCc1ccc(Br)cc1F)c1ccccc1	590477916	JUYOGBWGEJSTKW-LJQANCHMSA-N	403.295	5.072	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(F)c2)cc1	591039738	DHKPOFKGFJNWNH-HSZRJFAPSA-N	408.448	5.176	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(OC(F)F)c1	603668970	WHCKNWHVVBDKCF-OAHLLOKOSA-N	424.472	5.802	30	20	HKED	
Cc1ccccc1-c1csc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n1	603878473	XSAMPBYSVKHVRE-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H](C)NC(=O)C1CCCCC1	608940265	UHVGUCBGONEKAB-GOSISDBHSA-N	419.525	5.073	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	609032279	ZRXDSCQLGCWTDI-IAGOWNOFSA-N	405.350	5.018	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1	609184679	RICLOOZZYSGYHN-UHFFFAOYSA-N	410.517	5.150	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccn1	609208398	HWLBEVXKTWPJCN-JOCHJYFZSA-N	418.472	5.334	30	20	HKED	
C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208963	LUAPNRILQNIKNY-KRWDZBQOSA-N	401.466	5.199	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCCc3cccc4cccnc34)c2)cc1	609209239	YIEPPSGPQGJUQI-UHFFFAOYSA-N	408.461	5.263	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609295937	BDVPDYVFJYOKMY-UHFFFAOYSA-N	415.468	5.651	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)CCCCOc2cccc(C#N)c2)cc1	609497845	OBANJJQRJHMHIL-DEOSSOPVSA-N	406.526	5.260	30	20	HKED	
CC(=O)Nc1ccc(C)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609724103	IHDNHKGENRPTFN-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)c2)cc1	609990535	QFPNAFGMHIIICW-VWLOTQADSA-N	404.473	5.216	30	20	HKED	
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1Cc1ccccc1	610014877	YVVCZSJUEBPGGR-WMZHIEFXSA-N	404.558	5.005	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	610051908	XPFJFSNXMPYRTJ-HXUWFJFHSA-N	416.502	5.129	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)o1	610120968	BARKWUJGDJNWKJ-UHFFFAOYSA-N	415.493	5.363	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc3cccc(F)c3o2)cc1	610224858	ZUAHFJLPXMQOBG-UHFFFAOYSA-N	402.400	5.425	30	20	HKED	
C[C@H](NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1	610408190	MRAVMOFYGJQZRT-YWZLYKJASA-N	401.432	5.575	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Nc3cnn(CC4CC4)c3)cc2Cl)c1	610584492	HCZKQWKDPVKMMQ-UHFFFAOYSA-N	421.888	5.041	30	20	HKED	
CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc2ccccc2n1CC#N	614115943	MWWRZOYWWPJLCQ-GOSISDBHSA-N	424.342	5.021	30	20	HKED	
CCCc1c(NC(=O)c2ccccc2Oc2cccnc2)cnn1-c1cccc(C#N)c1	615290603	WTHQLPVJLBOKKN-UHFFFAOYSA-N	423.476	5.136	30	20	HKED	
C=CCn1c(SCc2ccn(-c3cccc(F)c3)n2)nnc1-c1cccc(C)c1	623236456	IRVSQZSDGVYLQJ-UHFFFAOYSA-N	405.502	5.057	30	20	HKED	
C[C@@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	674443955	FMXJAYWRHPLIDU-TVYUQYBPSA-N	421.303	5.398	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727086583	LLYGAEJBWSPXFV-JXFKEZNVSA-N	424.422	5.767	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727267142	OIMFAKONOPEDIG-DHZHZOJOSA-N	409.442	5.006	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(O)c(F)c4)c23)cc1	728428266	SZGOCGSHOOSOFB-UHFFFAOYSA-N	408.458	5.048	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(/C(=O)c2nc3ccccc3s2)c2ccccc2)cc1	728700729	UXUVSKUAKDLXQX-WNSCPLKPSA-N	410.498	6.011	30	20	HKED	
C=CCn1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1	729241059	GMYGHPBHKGTYLX-UHFFFAOYSA-N	418.566	5.623	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1OC	729434923	SSQOXHBQRMPKRX-HXUWFJFHSA-N	422.868	5.144	30	20	HKED	
Cc1ccc(S[C@H](C(=O)Nc2cccc(OCC#N)c2)c2ccccc2)c(C)c1	729946870	HOZBHALDGATCGP-QHCPKHFHSA-N	402.519	5.678	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	730072514	XLBFERXHWSLFPQ-OAQYLSRUSA-N	412.514	5.603	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2o1	730072618	YZWAUSHSJJOLDO-OPAMFIHVSA-N	420.440	5.816	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)OCc2csc(-c3ccccc3F)n2)c1	732398465	HFMWJBHSBXXJHN-UHFFFAOYSA-N	410.470	5.113	30	20	HKED	
COCCOc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)c(C)c1	734159806	IWJAYBZLBIVXOF-UHFFFAOYSA-N	402.494	5.083	30	20	HKED	
CCCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1	735793689	XCMVAZKNTPDBDI-FQEVSTJZSA-N	401.510	5.443	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1	741059765	WLHPKFPHUBWKOY-WOIUINJBSA-N	419.887	5.812	30	20	HKED	
O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1cnn(-c2ccccc2)c1	746345796	KMNNGWBVMWCMEK-DHZHZOJOSA-N	421.909	5.457	30	20	HKED	
Fc1cc(NC(=S)NCC(F)(F)F)ccc1Oc1ccccc1C(F)(F)F	751003565	MUEIATMBBUFHMS-UHFFFAOYSA-N	412.330	5.486	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2ccc(C#N)cc2OC(F)F)c1	753122398	JDEOZZDFRWRKPX-UHFFFAOYSA-N	407.392	5.258	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c(F)cccc4C3)cc2F)c1	757881989	KZNHRAQIGXSYBP-UHFFFAOYSA-N	419.431	5.006	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CC2	763945533	SURSJHPOEPDRSX-MJGOQNOKSA-N	408.910	5.378	30	20	HKED	
CCCCCn1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)n1	767845512	BJFGVTKMUQAGAJ-XMMPIXPASA-N	415.541	5.359	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)OC[C@H](C#N)Cc3cccs3)cs2)cc1	772734181	CPUMSOBZVWQYAK-HNNXBMFYSA-N	412.536	5.200	30	20	HKED	
CC(C)c1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	772971732	MYABCPABGIXRTH-MRXNPFEDSA-N	405.479	5.020	30	20	HKED	
CC(=O)c1ccc(C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	776975332	PDLKSFAJRUHAIL-OAHLLOKOSA-N	408.269	5.508	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1	780637453	YPHOQUCFBIRMOU-GFCCVEGCSA-N	416.268	5.114	30	20	HKED	
C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782525516	ZBFPJPOGIRXUNW-FQEVSTJZSA-N	424.548	5.115	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)s1	797572483	AIQRQXYMXKVVDY-OAHLLOKOSA-N	413.930	5.558	30	20	HKED	
COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)C2	810157717	CVOVNCQJOJUVSJ-DEOSSOPVSA-N	423.516	5.430	30	20	HKED	
FC(F)(F)Oc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1	812461405	SLIOHQLKZNVQRR-UHFFFAOYSA-N	423.398	5.279	30	20	HKED	
CC(=NNc1nccnc1Cl)c1sc(-c2ccccc2Br)nc1C	814850502	QCUYWZNLRYDXCP-UHFFFAOYSA-N	422.739	5.161	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1	916939161	PIRXRYGDVFQODE-GOSISDBHSA-N	424.859	5.139	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccccc2)CCCC1)c1nc2cc(C(F)(F)F)ccc2s1	917042127	BUHYVYJXWIVNHM-INIZCTEOSA-N	414.452	6.003	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc2cc(Cl)ccc2s1	917044073	POTBMVKEEKIERE-SFHVURJKSA-N	422.937	5.668	30	20	HKED	
CCCOc1ccc2c(c1)C(=O)/C(=C\c1cc3cnn(C(C)C)c3nc1Cl)CO2	920069570	UNFZWDKWJICGNA-SXGWCWSVSA-N	411.889	5.113	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(C)c1	10241306	XELVWIDYMCYSKQ-IBGZPJMESA-N	420.582	5.484	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)cc(C)c2C#N)cs1	10266925	OOTVIUXAKFDPRZ-UHFFFAOYSA-N	422.579	5.566	30	20	HKED	
Cc1ccc(-n2c(SCc3ccc(C#N)cc3F)nnc2-c2ccncc2)cc1C	29812790	OVRINEJWAVETJC-UHFFFAOYSA-N	415.497	5.249	30	20	HKED	
C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2ccccc21	57805900	FEAMWNTZYGFCOI-UHFFFAOYSA-N	400.507	5.066	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)n1	61191592	XGUPJVAIVYUQBE-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
COc1ccc(CCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	61193963	HJGWPBHZDWXGLW-UHFFFAOYSA-N	400.478	5.629	30	20	HKED	
CC(C)(C#N)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	195691539	SVRDAPLCEPQQQE-MRXNPFEDSA-N	400.309	5.273	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N(CC)C2CCCCC2)nnc1-c1cccc(C)c1	255933115	DFDFGAKWDJTDSK-GOSISDBHSA-N	412.603	5.101	30	20	HKED	
CC[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1nc(C(F)(F)F)cs1	301444084	XLZNEGXGJHXJQE-LBPRGKRZSA-N	407.377	5.053	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccccc1-c1ccccc1	303396212	YZUVLKOIBRFNCU-KRWDZBQOSA-N	408.548	5.549	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl	303929532	ZUDGRDKOUXEEHD-IRXDYDNUSA-N	421.859	5.589	30	20	HKED	
Cc1nc2cc(C(=O)N[C@H](C#N)c3ccccc3Cl)ccc2n1Cc1ccsc1	409557938	SRTOISBHDYYMCG-HXUWFJFHSA-N	420.925	5.103	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1OCc1cccs1	409896689	QOJGTRSFBRBWQG-UHFFFAOYSA-N	408.479	5.064	30	20	HKED	
CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](C)Cc1ccsc1	426187556	BWXCRKJFRYZDJH-HNNXBMFYSA-N	410.568	5.152	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CC[C@@H](C#N)C3)n2Cc2ccco2)cc1	430092939	DCZWERNIXHGLKU-OXQOHEQNSA-N	406.555	5.668	30	20	HKED	
CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(OC(C)C)c(C#N)c2)nc2ccccc21	435535948	IDGWDXMZECKRLZ-NRFANRHFSA-N	417.513	5.084	30	20	HKED	
CCOc1cc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc(Cl)c1O	436872966	YHHJHTCQLOXLQE-UHFFFAOYSA-N	422.872	5.420	30	20	HKED	
CCCc1c(NC(=O)N2CCCCC[C@H]2c2ccco2)cnn1-c1cccc(C#N)c1	439685592	ZWELPLYFUYFZGV-QFIPXVFZSA-N	417.513	5.439	30	20	HKED	
CC(C)c1ncc(CN(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1	441414122	JIONKYYOBHRSBS-UHFFFAOYSA-N	420.900	5.190	30	20	HKED	
O=S(=O)(Cc1cccc(NCC#Cc2ccc(Cl)cc2)c1)C1CCCCC1	443537642	AAUXOJNLTYZVER-UHFFFAOYSA-N	401.959	5.051	30	20	HKED	
COC(=O)c1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	444736087	PSWRRAHNVCRNMR-MRXNPFEDSA-N	423.328	5.414	30	20	HKED	
N#Cc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1C#N	460111633	RYDOTPIFBRBKFR-SSZFMOIBSA-N	416.440	5.310	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	464052758	RNLZEEJPRDNVEO-ZEQRLZLVSA-N	414.505	5.447	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1cc(C(F)(F)F)ccn1	464418872	CWCXLHQZVFLQPF-SECBINFHSA-N	421.575	5.145	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ncoc2-c2ccccc2)cc1	467613294	DVQMZHLHZHQIDX-UHFFFAOYSA-N	409.445	5.244	30	20	HKED	
Cc1ccc([C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccn2)cc1	467963755	OYEFHBPUGJITHR-FQEVSTJZSA-N	410.399	5.192	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	470831918	OJANQHDYFDVXOH-NZQKXSOJSA-N	424.891	5.188	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl)C1CC1	471649412	RCKVWOWKVJPYAJ-LBPRGKRZSA-N	405.285	5.337	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(Oc4ccc(Cl)cn4)cc3)o2)cc1	471687362	XEBRKXDLLRJENO-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ncoc3-c3ccc(F)cc3)c2)c1	471727338	PWXHAUQQSLRWAA-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
Cc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	471731636	MGVXWTPMXDFVEA-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
Cc1ccc(C)c([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	474223175	MPIYKXAXDKZERH-PGRDOPGGSA-N	407.583	5.331	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Br)c(F)cc1C	474948389	XOKWPAUEHLQQJT-UHFFFAOYSA-N	422.254	5.025	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1	475601639	NSKNOWAQQYOMED-IXDOHACOSA-N	415.990	6.248	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-]	477527328	HBJVIWACZGALKP-ZDUSSCGKSA-N	418.906	5.007	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2ccc(C)cc2)n1	481374613	PMCZUJXNNCCPKH-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCc3cc4ccccc4[nH]3)cc2F)c1	481574013	WEJSEPWXMDGRCI-UHFFFAOYSA-N	414.440	5.079	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1ccccc1Cl	484130169	IIBDVHYGMICSHS-INIZCTEOSA-N	419.699	5.136	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccncc1	484484922	AKEWVFQBPAQNQT-CYBMUJFWSA-N	424.530	5.037	30	20	HKED	
N#C[C@H](NC(=O)c1c(F)ccc(Br)c1F)c1cccc(Cl)c1Cl	486438589	ZNIYQCGGSIHBPD-NSHDSACASA-N	420.040	5.029	30	20	HKED	
Cc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)sc1Cc1ccc(F)cc1F	487635612	XYVUOWDGWLPNSS-UHFFFAOYSA-N	409.461	5.128	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2ccccc2Cl)cc1	490648405	KHGYGHROOUGHAP-UHFFFAOYSA-N	420.896	5.393	30	20	HKED	
CCOc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc(OCC)c1OCC	499330565	UJJOTNVEWNUQQE-UHFFFAOYSA-N	410.514	5.057	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)ccc1OCC(C)C	499858826	FKNFLWKAHMJNOP-MRXNPFEDSA-N	407.297	5.031	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1csc(Br)c1	500754475	NJGSHQCTEMYJMO-UHFFFAOYSA-N	413.296	5.735	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	501093535	BDGXBTASKUFXGD-DEOSSOPVSA-N	417.557	5.045	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503642066	GSKUPHUDCSLGGZ-UHFFFAOYSA-N	405.498	5.067	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(C#N)cc1	505325802	PRXHXTVSBFVWGG-AWEZNQCLSA-N	402.420	5.060	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1	510562758	UVGRPCZIDYFVAG-UHFFFAOYSA-N	411.383	5.336	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Cc1c(F)cccc1C#N	510667012	VHCQYLQYSSTJPC-GFCCVEGCSA-N	413.905	5.203	30	20	HKED	
C=CCn1c(N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)nnc1C(C)(C)C	514971646	BNWLRPBNKULLKR-SFHVURJKSA-N	406.578	5.076	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1cccc(OCCCC#N)c1	515612401	ABLFFRDRCWDIMG-ZDUSSCGKSA-N	409.338	5.795	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1C(F)(F)F	517529987	LSAVZNZURXJMLN-AWEZNQCLSA-N	407.461	5.764	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519052131	KKNYRQQNBNMJNH-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
C[C@H](NC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(C#N)cc1	520382497	IQSANHKDEMODBU-LBPRGKRZSA-N	416.428	5.583	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1cccc(Br)c1	520928057	GHYHUCSSMSMBFK-CQSZACIVSA-N	403.345	5.415	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n(CCC#N)n1	521593312	WHUAFSGDIUCZNZ-UHFFFAOYSA-N	414.387	5.169	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccoc2)n1)c1nc(-c2c(F)cccc2F)cs1	521764633	BMLXALSIAKBDPD-NSHDSACASA-N	413.430	5.295	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	522342612	FSTSDCSNYUJHSF-YLJYHZDGSA-N	400.453	5.508	30	20	HKED	
CSCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	524392518	NMJDPSYSECPGDK-UHFFFAOYSA-N	402.519	5.561	30	20	HKED	
C=CCn1c(S[C@H]2CCCN(c3ccccc3Cl)C2=O)nnc1-c1ccccc1	525043615	ZHPBVSBJLUBQCO-IBGZPJMESA-N	424.957	5.072	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1	525564727	QLFGBFZHHSNEDY-KRWDZBQOSA-N	423.582	5.494	30	20	HKED	
CCC(CC)n1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C	534583668	IWHSXZXIPRKXEF-AWEZNQCLSA-N	414.481	5.444	30	20	HKED	
CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	538017915	JNPGWNBLESICOU-UHFFFAOYSA-N	414.505	5.705	30	20	HKED	
C[C@H](SCc1cccc(C#N)c1F)c1nc(O)c2c(-c3ccco3)csc2n1	538147965	SCXWKEXXMTYPLO-NSHDSACASA-N	411.483	5.662	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(C(F)(F)F)cc1Cl	540391612	ZFDWVTFGQSCFGF-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
N#C[C@@H]1CSCCN1C(=O)c1oc2ccccc2c1CSC1CCCCC1	540450536	NVHDVNDPPHAOKC-OAHLLOKOSA-N	400.569	5.080	30	20	HKED	
C[C@@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1	541175998	NQUHYRWVACGKHZ-LJQANCHMSA-N	403.570	5.303	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1nccs1	555255403	JROVDFJFEBLIAZ-QGZVFWFLSA-N	419.554	5.240	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1	557598634	MPWRADRRCSWPRX-UHFFFAOYSA-N	411.523	5.036	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OC)c(OC)c1	558339933	BIAVHONQAIMAGO-NVXWUHKLSA-N	413.543	5.371	30	20	HKED	
Cc1noc2nc(C(C)C)cc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)c12	560324670	UUNUROZKQQOZQY-UHFFFAOYSA-N	410.477	5.373	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)CC2	569514068	VEPNWHOIAFLHEG-YADHBBJMSA-N	400.444	5.322	30	20	HKED	
N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)C2)c(F)c1	570951608	FTJRCKXXZKALIB-KRWDZBQOSA-N	421.422	5.108	30	20	HKED	
N#Cc1c(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n[nH]c1C1CC1	571236795	AOHQZLBGOKMBDD-UHFFFAOYSA-N	413.456	5.017	30	20	HKED	
N#Cc1cc(Oc2ccc(NCC(=O)Nc3ccccc3-c3ccccc3)cc2)ccn1	571544780	YZCSCVTVWOULRJ-UHFFFAOYSA-N	420.472	5.463	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C	572207088	RFYMEFHDRCMRFF-QUCCMNQESA-N	420.582	5.147	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1	583662233	USIQFOSBNIBNOK-VGOFRKELSA-N	422.504	5.093	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)s2)cc1	592974063	NHKCTMKPGYJUKZ-OAHLLOKOSA-N	423.494	5.366	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)CC1	601182544	UEBZALBFPOWTDD-QHCPKHFHSA-N	403.526	5.094	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cn1	603532835	XWRQFZXGQLJIGC-UHFFFAOYSA-N	413.374	5.267	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	604077658	ULEGTIGBMXQSCX-QGZVFWFLSA-N	403.457	5.392	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(F)c(C#N)c3)c3c(C)noc3n2)c(C)s1	609102366	MVUBJGCQCMRTJC-UHFFFAOYSA-N	406.442	5.140	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2n1CC#N	609216057	ZVTMOVUPQVVMSJ-UHFFFAOYSA-N	422.463	5.331	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccccc2N2CCCC2)cc1	609306592	VTKGXKBSQDKZSP-UHFFFAOYSA-N	415.468	5.020	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)CC3CCC(c4ccccc4)CC3)CC2)c1	609372580	JHYPDHJIMQWWDO-UHFFFAOYSA-N	402.538	5.292	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	609378377	FINZNWPGUFMDTO-UHFFFAOYSA-N	406.429	5.528	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1OCC(F)(F)F	609398439	QTRATUHUNKHPGA-CQSZACIVSA-N	423.460	5.201	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2cccs2)c1	609427732	GWEKWIFHXQDTER-MRXNPFEDSA-N	408.548	5.974	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(c1ccccc1)c1ccccc1	609428691	ZXZLFFDSISUHCL-LJQANCHMSA-N	416.546	5.826	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	609437001	JFEJCLXMERZFAY-XMSQKQJNSA-N	421.610	6.747	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2Cl)cc1	609553904	MFIGGONGRXNIPE-MRXNPFEDSA-N	421.888	5.139	30	20	HKED	
CN(C)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1	609987736	WRVLHZNLWGXRSQ-UHFFFAOYSA-N	424.426	5.639	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)c1ccccc1C(F)(F)F	610240106	XRWFDJQSGAZGLP-MEBBXXQBSA-N	401.215	5.497	30	20	HKED	
C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)n1	615024789	SAOVDCTZKNBDMO-SJORKVTESA-N	405.527	5.388	30	20	HKED	
C[C@@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)c1cccc(C#N)c1	616044551	YHGFXBBCZQXQMK-OAHLLOKOSA-N	412.331	5.004	30	20	HKED	
CCc1nc([C@@H]2CCCCN2CCC(C#N)(c2ccccc2)c2ccccc2)no1	618275908	NTEWOUQIOAIKLA-QFIPXVFZSA-N	400.526	5.059	30	20	HKED	
N#Cc1ccc(CNC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1Cl	619765123	XFRQUMJFRXOAHQ-UHFFFAOYSA-N	403.841	5.203	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	726080802	DEOMEPIUETXEIJ-UHFFFAOYSA-N	424.614	5.353	30	20	HKED	
C[C@H](OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc(C#N)c1	727635581	LMILKPRWLGFIDR-KRWDZBQOSA-N	424.456	5.404	30	20	HKED	
C#Cc1cccc(NC(=S)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1	728794146	ZTFZHADUYNHUHE-UHFFFAOYSA-N	422.557	5.066	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OCc3cccc(F)c3)cc2)c1	733800889	MCFVOZYTSAAPCI-QHCPKHFHSA-N	404.485	5.375	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1	733852045	QPHYHTWIIBRROJ-YLJYHZDGSA-N	420.538	5.024	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	734705903	UCFURYPHQIMWCB-UGKGYDQZSA-N	410.473	5.246	30	20	HKED	
Cc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	734963589	JZQRVYHQCXECNE-SIKLNZKXSA-N	412.489	5.629	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)nn1	736069609	RJOTZDVHFXEKBY-XMMPIXPASA-N	419.488	5.436	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1	739155501	QUTYCQADNPDEGN-SWLSCSKDSA-N	408.807	5.200	30	20	HKED	
CCOc1ccc(Oc2ccc(N[C@@H](C(=O)OC)c3ccc(C#N)cc3)cc2)cc1	739991406	QKQSUIYANQSBCY-HSZRJFAPSA-N	402.450	5.075	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037923	JFQOTYZTBIDJBR-GUSZCTEKSA-N	424.488	5.865	30	20	HKED	
CCCCOc1ccc(C=NO[C@H](C)c2nc(-c3cccs3)no2)cc1OC	744443737	NLUWPDKEUSNFCL-CQSZACIVSA-N	401.488	5.097	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)n1	747193297	HUHHEZXTGMREKV-VQTJNVASSA-N	417.534	5.004	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(F)cc2F)[n+]2ccc(C)cc2)c1	748994798	GYYJRZINSWZFIG-UHFFFAOYSA-O	421.492	5.174	30	20	HKED	
C[C@H](C#N)CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C1CC1	754174535	HMVDPZGKWWHZAR-OAHLLOKOSA-N	407.564	5.353	30	20	HKED	
COc1ccc(C=NOc2ccccc2C(F)(F)F)cc1OCc1cccnc1	754712831	UPMDWWRVXXGXMN-UHFFFAOYSA-N	402.372	5.101	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(F)cc2O)cs1	757474264	ADCWFJHXNRQIRQ-UITAMQMPSA-N	416.861	5.222	30	20	HKED	
N#Cc1ccc(CCC(=O)O[C@@H](c2cccnc2)c2cccc(C(F)(F)F)c2)cc1	759596772	LKZQZSPZKDWQOD-JOCHJYFZSA-N	410.395	5.237	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccnc1	760195849	NCIXQEZCCYCRGN-FOGJEEJESA-N	405.567	5.160	30	20	HKED	
C#CCOc1ccccc1-c1noc(C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)n1	761992019	AIEQZKJVZAGVQJ-XFKLWTPLSA-N	402.416	5.149	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	766840868	KOPUFCKIQUJZRE-QGZVFWFLSA-N	400.425	5.638	30	20	HKED	
COc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)cc1	776163463	BQXVWJFHJRGZTM-BXKMTCNYSA-N	406.913	5.691	30	20	HKED	
CCN(C(=O)Cc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1)c1ccccc1	777630859	RDLRLSYJFVCISY-FQEVSTJZSA-N	413.521	5.358	30	20	HKED	
N#Cc1ccc(C2(C(=O)OCc3csc(COc4ccc(Cl)cc4)n3)CC2)cc1	781392146	LQZCKVNUGAFGMP-UHFFFAOYSA-N	424.909	5.022	30	20	HKED	
COc1cccc([C@H](C)CCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1	789408463	KVQOQWHESQQLCO-QAPCUYQASA-N	411.452	5.590	30	20	HKED	
COc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1NC(=O)OC(C)(C)C	793091646	KCDFCOFUCALATH-UHFFFAOYSA-N	409.486	5.096	30	20	HKED	
N#CC[C@H](CC(=O)OCc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	795989589	KBTPIGYKTTVDCS-QGZVFWFLSA-N	414.383	5.491	30	20	HKED	
N#C[C@@H](C(=O)/C=C/Sc1cc(F)ccc1F)c1nc2ccccc2n1C(F)F	797943523	SAMWNPSCPVXQFB-GUOLPTJISA-N	405.376	5.192	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)c1	801775871	WYOGDSACTRKKJT-UHFFFAOYSA-N	418.541	5.014	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	802045712	VRTDKEWJYCJULD-UZLBHIALSA-N	402.519	5.629	30	20	HKED	
CC(=O)Nc1ccc(O)c(C(C)=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	814949139	UVVSRIYLOCDLRT-UHFFFAOYSA-N	419.325	5.224	30	20	HKED	
N#CCCC[C@H](NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1	817319134	KPJXNWISQWFIIR-ZSFFSCSXSA-N	406.835	5.837	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	877880746	REIJWFWSJVWDIA-CYBMUJFWSA-N	424.957	5.204	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1	915084933	BERRGLGEBDNTIG-MHZLTWQESA-N	418.496	6.173	30	20	HKED	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	916383697	ONLABLKVPDOSTG-UWJYYQICSA-N	404.897	5.710	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	916844019	QYKXLHWRYYTPPV-ZRMMWKCHSA-N	404.335	5.379	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	916898536	CZQFMKCURRPAAD-NRFANRHFSA-N	420.921	5.593	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C2CCCCC2)cc1	916903962	UYYIQHWLRUXDGY-HSZRJFAPSA-N	402.538	5.820	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(F)cc2)cc1	916915379	CGTNLOWENRSMPL-QHCPKHFHSA-N	424.431	5.732	30	20	HKED	
CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(C)n1	916973449	XSZWGJNWIYUDET-GOSISDBHSA-N	422.579	5.056	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1	917043403	IJVPYTJBGKNTAY-AWEZNQCLSA-N	403.290	5.442	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)SCc3ccccc3)n2)cc1	920138315	DIMYEOSREQJHTK-KXBFYZLASA-N	408.548	5.317	30	20	HKED	
N#CCc1ccc(CN(Cc2ccc(Cl)cc2)c2ccc3nc(O)[nH]c3c2)cc1	1559613886	QMZDWONFJKEOKZ-UHFFFAOYSA-N	402.885	5.195	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1	1788417102	WPBROVWGVDAWHU-UHFFFAOYSA-N	420.534	5.436	30	20	HKED	
C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1	1790228666	WJEGCYCWHWEJMD-LBPRGKRZSA-N	423.365	5.059	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5sc(C)cc5[nH]4)cc3)CCC2)C1	1790876321	KXJVWFLJAUXDSJ-UHFFFAOYSA-N	419.550	5.252	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1	1791244023	JMHBQNSWSCOXQJ-APWZRJJASA-N	404.501	5.158	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)CCC1	1791339809	NZRMEPSXXNWVCV-HXUWFJFHSA-N	402.538	5.118	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1	15237048	FVLKMSLWVVCZQF-KRWDZBQOSA-N	407.930	5.182	30	20	HKED	
COc1ccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	46861531	LGJDJCVDJSWBLG-NRFANRHFSA-N	406.869	5.022	30	20	HKED	
Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	49723959	RRSGIHJAZMGURS-QGZVFWFLSA-N	403.507	5.482	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccccc2Cl)cc1	55823589	NZGZQQUKKOSRSJ-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
CCSc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccn1	56102418	GNAIECJOSIXMCA-UHFFFAOYSA-N	403.507	5.091	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2F)cs1)c1ccc(F)cc1F	71807916	VLCPMTLRRHXMOM-QPJJXVBHSA-N	420.387	5.280	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccccc2Cl)n1	104915815	MXDCLLJXTHBJKR-UHFFFAOYSA-N	423.390	5.936	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2ccc(F)cc2)cc1	237270880	OSHCBOJLWWJJSQ-VWLOTQADSA-N	403.501	5.063	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1	303115883	LWODJLHRMAXLAD-QGZVFWFLSA-N	402.450	5.074	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21	303403581	RUNKVZIKBOPMFL-VGOFRKELSA-N	405.567	5.029	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1	303536203	SSRUZOHZCFYTOQ-UHFFFAOYSA-N	415.537	5.151	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1	303842841	MIGMORGCPMRTBS-JPYJTQIMSA-N	414.480	5.295	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	429212855	IEGBRZLZBKFMRW-UHFFFAOYSA-N	421.541	5.434	30	20	HKED	
COc1ccc([C@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2Cl)cc1	430626745	MGNUFJMIHIYKLL-QFIPXVFZSA-N	422.937	5.484	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ncc(C#N)cc2Cl)cc1	431567098	USKKXEAZGFSQTR-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccc(Br)cc1Cl)c1ccccc1	431872564	POCYPNPBOGNASG-GOSISDBHSA-N	420.738	5.337	30	20	HKED	
CSC[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	432682897	VLOYMTXREWKNBD-OXQOHEQNSA-N	413.974	5.602	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	433873499	QWIGBTFFVYSBAU-OTXOEQGISA-N	407.476	5.359	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[S@](=O)CCCCC(C)(C)C#N	435879982	NAYYMSFYYPYIFS-HHHXNRCGSA-N	405.995	5.170	30	20	HKED	
CN(Cc1cc(Br)cs1)C(=O)c1cn(CCCC#N)c2ccccc12	436015346	HRGTUFKHTMPRDN-UHFFFAOYSA-N	416.344	5.041	30	20	HKED	
O=C(N[C@@H]1CCCC(F)(F)C1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436383848	CWTUFNPGDDJCLM-CHWSQXEVSA-N	418.328	5.576	30	20	HKED	
C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1	438069690	CDDLJOMTOUOSRM-HSALFYBXSA-N	414.619	5.057	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1	439303763	LQDPRGCJCIHDEG-QGZVFWFLSA-N	413.403	5.058	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	440488563	QZHZIUZBLORDAQ-LLVKDONJSA-N	405.310	5.288	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]1c1cc(C)no1)c1ccc(C(F)(F)F)cc1	441533792	KISGZAVZJPOJOS-ROUUACIJSA-N	407.436	5.556	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc(C(F)(F)F)c1F	443517118	AQDCCPIGHGAPAP-ZDUSSCGKSA-N	405.376	5.162	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)c3c(F)cc(C#N)cc3F)s2)cc1	446044624	OQIJNSGSGLYCAD-AWEZNQCLSA-N	411.477	5.410	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1F	464725972	PTJADKWPTAEJRR-LLGFUMIMSA-N	411.546	5.242	30	20	HKED	
CC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	467077230	ZXWIBTXFOCMBIK-UHFFFAOYSA-N	415.518	5.370	30	20	HKED	
COC[C@@H]1CCCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	467161918	PDJNGTVJIHGKOO-UTKZUKDTSA-N	411.933	5.276	30	20	HKED	
Cc1cccc(-c2nnc(SCc3ccc(F)c(C#N)c3)n2Cc2ccco2)c1	468640695	BJSBTXVYHMTNNT-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(Cc3ccccc3F)CC2)c2ccccc21	469398340	VBYKOYQUCSUWQJ-UHFFFAOYSA-N	403.501	5.179	30	20	HKED	
CC[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[C@H]1c1ccccc1	470002549	GQMIQFWJERRPQC-HYBUGGRVSA-N	414.505	5.386	30	20	HKED	
Cc1coc(-c2ccc(C)c(NCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)c2)n1	470539735	MCLZAYUDUDNCRI-UHFFFAOYSA-N	422.916	5.279	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(O)nc(C4CC4)c3)cc2Cl)c1	473719164	XQZJHYGDGVRYEV-UHFFFAOYSA-N	419.868	5.021	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(F)cc(Cl)c2O)cc1	474439498	NMLKKODVPJJXLE-UHFFFAOYSA-N	412.873	5.601	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc2nc(-c3ccccc3)cn12	476081845	VZDWKLATSPUNDQ-UHFFFAOYSA-N	415.562	6.096	30	20	HKED	
Cc1coc(-c2cc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)ccc2C)n1	477951364	SACZXSAKRWZJSS-UHFFFAOYSA-N	402.498	5.520	30	20	HKED	
COCCOc1cc(C)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	479553111	PKQDXIYQXTYZAZ-UHFFFAOYSA-N	418.518	5.295	30	20	HKED	
CC(C)(C)[C@H]1C[C@@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1	481047402	LQEXEGBCWQNRKF-HRAATJIYSA-N	412.917	5.327	30	20	HKED	
CCS[C@H]1CCCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	481408414	NBRPOTOWIMNLBT-QHCPKHFHSA-N	423.582	5.471	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2cccnc12	482059009	FZEXFHKEJGWASX-IEBWSBKVSA-N	422.435	5.140	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1	482881132	SGHQBLBOQNIYAP-UHFFFAOYSA-N	406.555	5.204	30	20	HKED	
N#Cc1cc(NC[C@@H]2CCC(F)(F)C2)cc(NC[C@H]2CCC(F)(F)C2)c1[N+](=O)[O-]	485410575	QNSHCGYOLSQUJE-OLZOCXBDSA-N	414.403	5.161	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1	485839423	CBDBVAKRGGPXMN-UHFFFAOYSA-N	424.907	5.444	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1	486415026	YPGVJJHVFXORTD-UHFFFAOYSA-N	404.491	5.108	30	20	HKED	
C=CCSc1ccccc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1	486432711	LWXOORVSPJEJEQ-UHFFFAOYSA-N	411.508	5.273	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	487228476	UFBHZSRWBGZIEW-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC	497487369	AMVOVFGEDIBEKF-AWEZNQCLSA-N	402.951	5.254	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1ccc(Br)cc1	498276205	MCHTUDSRKCJWHQ-LSDHHAIUSA-N	417.372	5.518	30	20	HKED	
C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(-c2cccc(C#N)c2)cc1	498946683	HCDGYMKMGJOEBG-AWEZNQCLSA-N	420.394	5.002	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(Cl)cc1	499803156	RFWZDPALGVEEPC-QFIPXVFZSA-N	416.864	5.660	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccn2)c1	499890275	UDXSFULTOFGSKQ-FDDCHVKYSA-N	416.550	5.695	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)o2)cc1	505541200	WBMLTMVXDIUYBH-KRWDZBQOSA-N	413.260	5.451	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cs1	505830029	BAIRQCSGWILVLU-GOSISDBHSA-N	413.955	5.392	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1Br)c1cccc(C(F)(F)F)c1	505976713	NUGWEXXCBCGVGS-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2oc3ccccc3c2C)cc1	510694674	ZIVUWDXSSNNIGL-GOSISDBHSA-N	417.509	5.438	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	511016244	PASAIZJGSGTZJZ-INIZCTEOSA-N	422.554	5.010	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1	512962800	VLJZIZLHHMDLTH-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
Cc1cccc(-c2nnc(SCc3cccc(C#N)c3F)n2Cc2ccco2)c1	513253217	WCORYGIRRWEFDR-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5[nH]4)cc3)o2)cc1	513672916	VUNMKUCGKKZBRF-LJQANCHMSA-N	419.444	5.078	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1	513677085	QGASYVUUQNOSDT-CQSZACIVSA-N	414.303	5.397	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	514151611	MXDUNAPKTSAROG-GOSISDBHSA-N	405.473	5.472	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1	514501944	MCNNOQWFARVLBE-UHFFFAOYSA-N	409.489	5.060	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	514820359	LOIGXLQVWXVUQM-RTBURBONSA-N	412.493	5.464	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1Nc1ccc(OC(F)F)cc1	516387247	WAQHDCCQTIBRSY-UHFFFAOYSA-N	407.420	5.175	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	517531389	CVHNWTBSOALXGY-HOTGVXAUSA-N	422.579	6.087	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1cccnc1	518681686	FSTWVRISKRFMQR-HTAPYJJXSA-N	402.523	5.244	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1Cl	521475214	WJJCROLWVGKKMH-IBGZPJMESA-N	414.896	5.443	30	20	HKED	
C[C@@H](SCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccc(C#N)cc1	522840622	VXINHHJGUFXIOG-CQSZACIVSA-N	414.577	5.080	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CCC2	524152253	UNCZEFGRTBLMQZ-FQEVSTJZSA-N	418.522	5.657	30	20	HKED	
C=CCn1c(SCc2ncc(C)o2)nc2sc(-c3ccccc3)c(C)c2c1=O	525111301	CAEZANXBDNXFAO-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@H](C)N[C@@H](C)c3ccc(C#N)cc3)s2)cc1OC	532206835	WQLWHJHDFARXJH-HOTGVXAUSA-N	421.566	5.343	30	20	HKED	
C=CCC[C@@H](NC(=O)Cc1cc2ccccc2nc1O)c1ccc(C(F)(F)F)cc1	532738126	XBLGWBHGQVCBLA-LJQANCHMSA-N	414.427	5.325	30	20	HKED	
COc1ccc(CNc2ccc(-c3cn4ccccc4n3)cc2)cc1OCCCC#N	533211533	CZTWIWSNMWTIJD-UHFFFAOYSA-N	412.493	5.305	30	20	HKED	
O=C(c1cccc(-c2c(F)cccc2F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	535289257	MWIUXBBVGDXZAG-UHFFFAOYSA-N	423.303	5.589	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)oc12	542378557	PJXXCELRPIXEJW-MRXNPFEDSA-N	403.482	5.138	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1cccc(F)c1	542955644	DYJPYKYKHCTFRQ-LHSJRXKWSA-N	423.879	5.151	30	20	HKED	
CO[C@H](c1ccc(F)cc1)c1noc(-c2cccc(COc3ccccc3C#N)c2)n1	545098039	OKGPQCHYPDKFAI-JOCHJYFZSA-N	415.424	5.062	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1	549685284	GODLAWKGPOPPFR-UHFFFAOYSA-N	412.493	5.064	30	20	HKED	
CCCOc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	561408480	QCARYBROQFPVMA-MRXNPFEDSA-N	413.543	5.200	30	20	HKED	
N#CCCC[C@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	573273517	LTFWIPNBVIGAGQ-QFIPXVFZSA-N	412.459	5.475	30	20	HKED	
C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1nccs1	582678911	PAHZHOLUSSQICH-UHFFFAOYSA-N	422.583	5.046	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cc1ccc(Br)c(Cl)c1)c1ccccc1	590476466	DKZAIPZSOTYQHR-GOSISDBHSA-N	405.723	5.196	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCCOc2ccccc2Br)cc1	603737442	JIROCTGKRSSFPS-UHFFFAOYSA-N	401.304	5.048	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)CSc2ccc(C#N)cc2)cc1	603918540	ZYKCNASPUZPRAG-UHFFFAOYSA-N	404.491	5.480	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Br)cc2Cl)sc2c1CCCCC2	603946913	HMXHBJMUDIPALP-UHFFFAOYSA-N	409.736	5.557	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	604004103	VLYCXTQMCRSZFA-UHFFFAOYSA-N	420.896	5.311	30	20	HKED	
COc1ccccc1C(C)(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609065044	YTTWRDOMHBJBAH-UHFFFAOYSA-N	400.478	5.062	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)[C@H](C)Oc3ccccc3C#N)c(C)c2)c1	609228242	LGXQGGFAQRNEDP-IBGZPJMESA-N	400.478	5.160	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1cc(Cl)ccc1F	609432517	VUJVXYIYOOQEPK-CQSZACIVSA-N	409.848	5.582	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H]2CCCOc3ccc(F)cc32)c1	609433217	KKQZXNBBMTYCJH-XMMPIXPASA-N	402.469	5.280	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2Cl)cc1	609638696	BFAQMILETSWRAO-MRXNPFEDSA-N	421.888	5.139	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)n1	609646892	UUEHAGQKIWCUJY-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F	610009831	RJERMZMXMLAQJA-AUUYWEPGSA-N	420.550	6.182	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)n1	610036802	FQPAZLOGBBCEMJ-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccncc1	610558670	FBJULIJVXYEZRL-MRXNPFEDSA-N	420.900	5.111	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(C#N)c1	610728508	ILFFBMQBXYSJHF-DOTOQJQBSA-N	404.539	5.454	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCCc2cccc(Br)c2)c1	610753956	SICALSZICAUIOP-UHFFFAOYSA-N	401.304	5.093	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	613319512	GORWVRYQZFPRGT-KRWDZBQOSA-N	422.872	5.278	30	20	HKED	
O=C(Nc1ccc(Cl)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642693631	LJQDCIYXTAXLHV-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674446736	VSKARFBDVKYBPG-TVYUQYBPSA-N	421.303	5.083	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc2cc(C(F)(F)F)ccc2s1	677790782	CZOXAPXXXMXMNK-HOCLYGCPSA-N	416.424	5.309	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc(C(F)(F)F)cc1	679705669	GSKYONFLJGUMDX-CVEARBPZSA-N	406.395	5.126	30	20	HKED	
O=C(c1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	681136970	FINBUVLEJPKJGJ-NXEZZACHSA-N	413.667	5.172	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccccc1Cl	682988844	HVRPAXOWUOADAC-MRXNPFEDSA-N	400.869	5.126	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	683054747	VFWSCIGJZKMKBP-OAHLLOKOSA-N	408.317	5.290	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	684630996	FTLGEVONBRAKJY-CQSZACIVSA-N	411.845	5.542	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@]3(C)CCCc4ccccc43)n2)cc1	726325884	VXCIUXPLVLLVER-DVECYGJZSA-N	402.519	5.289	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)Nc1ccc(OC(C)C)cc1	726477971	BNAZUQIKISSHJF-UHFFFAOYSA-N	417.534	6.255	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1	726733160	QJEALYXRVPQQKB-SFHVURJKSA-N	424.909	5.347	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C	726754960	WZKQDKXKJJGXGZ-LJQANCHMSA-N	401.510	5.021	30	20	HKED	
CC(C)C[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1cccc(C(F)(F)F)c1	726845052	BIWKAEQJAZWDLI-IBGZPJMESA-N	405.420	5.517	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)cn2)c1	726913917	VFVJXKZCBWNFLB-XMMPIXPASA-N	413.477	5.385	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2/CCC/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1	727744475	IQSQYLRHXHMUQW-OVLDJYBWSA-N	412.489	5.488	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C2CC2)no1	727934328	FLEXRTUUONTUHJ-RTWAWAEBSA-N	415.497	5.121	30	20	HKED	
N#CCOc1ccc(CNCc2ccc(-c3cccc(Br)c3)s2)cc1	729685405	RNNWPQSRTPHIGX-UHFFFAOYSA-N	413.340	5.370	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OCc3occc3C(=O)O)cc2)ccc1SC	730948807	LSXNMXVGCAIYJN-UITAMQMPSA-N	424.474	5.183	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc(SC(F)F)cc1	731322334	XIMXRDYOEVGVMW-LBPRGKRZSA-N	409.552	6.204	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2noc(-c3ccc(Cl)cc3)n2)cc1OC	731445662	RLEGVQMTMMQUKE-UHFFFAOYSA-N	422.268	5.001	30	20	HKED	
FC(F)(F)c1cccc(C=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1	733080569	QQALIDNGQQAIJL-UHFFFAOYSA-N	411.309	5.022	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)n2)cc1	733680313	ZPNRRYNEVQDQRT-CZUORRHYSA-N	414.889	5.555	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccncc1	734679193	FBWCFUKJGBMMRJ-GOSISDBHSA-N	410.905	5.083	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)OC(=O)c1ccccc1OCC#N	734729398	NOHVUVSUIYQFAB-AWEZNQCLSA-N	412.898	5.592	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl	741067908	HMXODCRKPBLNCO-WBMJQRKESA-N	424.353	5.243	30	20	HKED	
COc1ccc(CON=Cc2c(Cl)nc3ccccn23)cc1SC(F)(F)F	742359464	ZDKIUPGWVKNYNF-UHFFFAOYSA-N	415.824	5.159	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC(C3CCCC3)CC2)c1=S	743376457	GNVMXOJQTXIUMA-UHFFFAOYSA-N	412.603	5.135	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccccc1C(F)(F)F	744016500	NSZMJZGQSHFUNF-GUYCJALGSA-N	412.411	5.581	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1c(C)cccc1C	745724832	YOHSSUOPJKKCRM-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc2ccccc2c1	753394770	LPXBLICTDMKSSO-VLIAUNLRSA-N	424.472	5.606	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2cncc(SCc3ccccc3)n2)ccc1OC	754055839	GSGBTFBXQGCIGI-LJQANCHMSA-N	420.538	5.071	30	20	HKED	
N#CCc1ccnc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1	764205182	CAFLJUYPIGGWLA-UHFFFAOYSA-N	417.468	5.647	30	20	HKED	
Cc1ccc(-n2c(SC[C@H](O)c3ccc(C#N)cc3)nnc2-c2cccs2)cc1	764678725	NBXOURUVCQLNFT-IBGZPJMESA-N	418.547	5.002	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCCCCC(C)(C)C#N	768593479	MUSKRWCOHGJUFD-UHFFFAOYSA-N	418.946	5.839	30	20	HKED	
Fc1cccc(Br)c1CON=Cc1cccc(OCc2ccncc2)c1	771655062	USJAPVYVSIGHKI-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
Cc1ncsc1/C=C\C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	776821250	FQOMASFLNVHUOW-FPLPWBNLSA-N	409.898	5.208	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3O[C@@H](C)C#N)cccc2c1=O	780166579	SJHQADCSSXNRAN-INIZCTEOSA-N	424.456	5.312	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc2ccccc2s1	780300950	DXLXTVNAWGMGIC-SFHVURJKSA-N	413.502	5.534	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1	787431560	DOAKVAAQOZHQTI-UONOGXRCSA-N	422.312	5.215	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	790001848	CGWSKUVHORUQGV-UHFFFAOYSA-N	418.453	5.121	30	20	HKED	
O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1csc(C(F)(F)F)n1	790800405	NOVFWMQXYXFESV-VIFPVBQESA-N	423.256	5.641	30	20	HKED	
COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1	793384657	UXUPQSFNGPTHGB-KRWDZBQOSA-N	409.486	5.068	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)sc2ccc(C#N)cc12	796756134	IWAHAGZMZMVFMF-AWEZNQCLSA-N	407.907	5.835	30	20	HKED	
CSc1cccc(F)c1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	806200221	ANJWMGBESLZGGT-IBGZPJMESA-N	405.498	5.525	30	20	HKED	
CSCc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	806200828	NYKBJZVCIXCDDB-QHCPKHFHSA-N	401.535	5.527	30	20	HKED	
O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccc(OC(F)F)cn1	809125837	AWZOQFBHYQINSW-LBPRGKRZSA-N	415.236	5.162	30	20	HKED	
O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ncccc1C(F)(F)F	809325909	GBECHONNTZKFEU-LBPRGKRZSA-N	417.227	5.580	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)s1	810824364	ZBWFDFRGQPNYQO-GFCCVEGCSA-N	419.572	5.363	30	20	HKED	
Cc1c(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cccc1OCC(F)(F)F	857445858	BNVFXMWIEWFFIZ-OAHLLOKOSA-N	409.301	5.604	30	20	HKED	
COc1ccc(-c2nc(/C=C/C(=O)c3ccc(NC(=O)NC(C)C)cc3)cs2)cc1	915114432	MRGDXNGKGFMSQJ-JLHYYAGUSA-N	421.522	5.245	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915179747	HZJYNHIUNVRKKP-FQEVSTJZSA-N	416.550	5.538	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC	916137844	FWPNPEKAOVOVHU-HJWRWDBZSA-N	415.898	5.385	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccc2ccccc2n1	916849563	XXFGYLGMPXAJLF-IBGZPJMESA-N	419.322	5.686	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)c1	916897213	KYKDMZGUUMXBJL-HXUWFJFHSA-N	421.547	5.013	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(C(C)(C)C)cc1	916905967	FYXDBORVVACBQV-JOCHJYFZSA-N	404.554	5.389	30	20	HKED	
CC(C)(C)c1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1	916911932	OKGHGDYCGUJDDL-MRXNPFEDSA-N	400.931	5.077	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccccc2)cc1	916936230	DTQUIPFFHWIILR-SFHVURJKSA-N	408.816	5.233	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c(F)c1	917562098	DLGDYRORFYRRAK-WDZFZDKYSA-N	410.470	5.180	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)n1Cc1ccccc1	918566663	XTVJZHJFOQFMLQ-MHZLTWQESA-N	419.528	6.061	30	20	HKED	
COc1ccc(OCc2ccccn2)c(C=NNc2ccc(OC(F)(F)F)cc2)c1	921257843	WKSPUBTVTRSWPU-UHFFFAOYSA-N	417.387	5.014	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc4c3CCCO4)cc2)CCC1	1788396637	GZLBCYKGXAOTMQ-MRXNPFEDSA-N	424.566	5.033	30	20	HKED	
N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CCC4CCC4)CCC3)cc2)c1	1790761777	AGGWZYFPFIYABQ-UHFFFAOYSA-N	419.500	5.025	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCCC3(F)F)CCC2)cc1	1791250499	RLUREGNYAQMDKG-AOMKIAJQSA-N	422.491	5.250	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(C)c2)cc1	10167617	KTRHHPRPAVYMOO-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)cc1C	11163380	URHSXYUHENNKOJ-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1	26143594	UINXIAFWYJLTTN-HNNXBMFYSA-N	421.488	5.198	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F	45036730	ARZHLWCDDBHMMY-DLBZAZTESA-N	403.404	5.361	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	51677880	JQTDIJLBGSELCQ-LLVKDONJSA-N	409.458	5.523	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cs1	58616344	DZVIWYSHNFQBJH-UHFFFAOYSA-N	409.536	5.273	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4c(s3)CCOC4)cc2Cl)cc1	216801502	PKJGVMGVTOKPCO-UHFFFAOYSA-N	410.882	5.390	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(COc2ccccc2)CC1	303398016	QCUHNCYOBJYAMC-SFHVURJKSA-N	409.555	5.261	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)c1	303451071	JOXYSLOMSURNDM-OALUTQOASA-N	415.320	5.039	30	20	HKED	
Cc1csc(C2(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)CCCC2)n1	303643234	RNTFYNHKXUYOPI-UHFFFAOYSA-N	417.534	5.102	30	20	HKED	
CCCCn1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1CC	429116196	QFMBVBIMOILYHG-CYBMUJFWSA-N	414.481	5.137	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2s1	431488035	YUAWMSKDJUFRDI-UHFFFAOYSA-N	413.502	5.502	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)NCC[C@H](c3ccccc3)C(F)(F)F)CC2)cc1	432463566	KVCKIDGNSKNXJU-OAQYLSRUSA-N	413.443	5.093	30	20	HKED	
Cc1c([C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C(C)C)oc2ccccc12	432492498	GOJGXKYPPOKOLW-DEOSSOPVSA-N	417.509	5.235	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(Cl)c1	432564028	YPQMXBYGQBCRAP-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	433226582	NYLPWORIOLJZRZ-VXNVDRBHSA-N	406.273	5.111	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1)c1ccccc1	435733640	UNKMTBGGATYEBT-SFHVURJKSA-N	407.539	5.182	30	20	HKED	
COc1ccc([C@@H](C)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	437045930	PSNSVVDOPPCMMI-BZNIZROVSA-N	409.345	6.197	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	438080329	LXYRTEWVBNIRSP-BJKOFHAPSA-N	424.504	5.243	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1F	438650086	OPBKYCORXNPXGK-OAQYLSRUSA-N	419.431	5.998	30	20	HKED	
CN(C)CCN(Cc1cccs1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	438658933	CSIHLIZGEJTTIQ-UHFFFAOYSA-N	420.538	5.008	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2c(F)ccc(F)c2C1	438677754	HISOAVUIPOTJIK-UHFFFAOYSA-N	419.431	5.527	30	20	HKED	
CCCc1c(NC(=O)N2CCCC[C@@H]2c2ccccc2)cnn1-c1cccc(C#N)c1	439369923	HTBFJYYOQHHLFV-HSZRJFAPSA-N	413.525	5.456	30	20	HKED	
CCCc1c(NC(=O)c2cncc(-c3ccccc3)c2)cnn1-c1cccc(C#N)c1	440096829	ZSDXJGFZANXFDJ-UHFFFAOYSA-N	407.477	5.011	30	20	HKED	
CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1cccc(C(F)(F)F)c1	441292200	YGHAKPIDLWKUDU-CQSZACIVSA-N	400.404	5.210	30	20	HKED	
C=CCC[C@@H](NC(=O)Cc1cc(F)cc2c1OCOC2)c1ccc(C(F)(F)F)cc1	441569261	ILXJLZITDHDXPS-LJQANCHMSA-N	423.406	5.077	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	444174726	XSOAEFREBNHNOC-CBGDNZLLSA-N	411.546	5.242	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccccc1	445589904	YZSBNTXCPFPECV-OAHLLOKOSA-N	421.501	5.097	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)o1	460418217	FDUNFVPFIFTTJL-UHFFFAOYSA-N	420.440	5.443	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1ccccc1Cl	463397607	OKDWULXCXKJVMY-UHFFFAOYSA-N	405.885	5.669	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)OCC	463538215	AQIPXPKJFRDFRF-IBGZPJMESA-N	404.869	5.041	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)c1ccc(Br)s1	463744548	JNXIAXRYUWLJNS-NWDGAFQWSA-N	409.374	5.505	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC(c3ccccc3F)C2)cc1F	463749642	ZCWJRMMTKQKXIO-UHFFFAOYSA-N	405.404	5.260	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1	464281233	IZEHPICYWJDJBJ-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
CCO[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1=CCCC1	465076532	WRHNODXQZWRHQB-XMMPIXPASA-N	404.510	5.176	30	20	HKED	
C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)Nc1ncccc1OCCCC#N	466606174	GKYGLRLCAGZZGH-CYBMUJFWSA-N	419.312	5.222	30	20	HKED	
CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	468109221	JJLVTIOSQMGSFH-UHFFFAOYSA-N	416.506	5.301	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	468330048	URLUYRZOBUYSSS-FQEVSTJZSA-N	404.558	5.688	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2cn(CCCC#N)c3ccccc23)c1	469775392	LOEAZTXFURSXER-KOSHJBKYSA-N	401.510	5.177	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	470486486	KXROXRZOGBOETQ-GOSISDBHSA-N	416.481	5.116	30	20	HKED	
CC(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470541376	HHSZHVKDFRCZOC-JOCHJYFZSA-N	418.541	5.178	30	20	HKED	
CN(C)Cc1ccc(-c2ccccc2CNC(=O)C[C@@H](CC#N)c2ccccc2)cc1	474573169	FRMFSQFVDOGPFD-XMMPIXPASA-N	411.549	5.119	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	475556900	XGXKNCKDBSPMNO-UHFFFAOYSA-N	405.542	5.421	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	475567953	DWLWYCVVIRRLGN-FYYLOGMGSA-N	413.512	5.384	30	20	HKED	
Cc1nn(CC(F)(F)F)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	477886379	ZIJOZCHHQNQSFB-ZDUSSCGKSA-N	424.835	5.021	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccncc1OCc1ccccc1	482160700	UNPGDOXVIYQMKV-UHFFFAOYSA-N	415.537	5.834	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21	483328033	ASJKFRKFOLHLOI-KDOFPFPSSA-N	413.518	5.644	30	20	HKED	
COc1ccc(C#N)cc1CN1CCC(c2nc(-c3ccccc3OC)cs2)CC1	485108416	RHSMRIJKNXNKPN-UHFFFAOYSA-N	419.550	5.079	30	20	HKED	
CC(C)c1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1ccccc1Cl	485183381	QGYSDWLIISPRLV-LJQANCHMSA-N	421.932	5.816	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](C)c1cccc2ccccc12	487396749	SDBJQVXXFKCOCB-ROUUACIJSA-N	403.551	5.381	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1S[C@H](C)CC#N	488141533	LRNOUPYOVBIOBK-MRXNPFEDSA-N	404.539	5.065	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	488780077	HHBLQXWTYTXLIL-KRWDZBQOSA-N	401.869	5.304	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1sc(-c2ccccc2)nc1C	492685033	SNBYEBQBBBBYSE-UHFFFAOYSA-N	423.586	5.184	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	494344608	BWFPCKBPOMHIFM-MIQLPHMESA-N	419.550	5.244	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	495445406	UWQXMUSXBKXEOB-GOSISDBHSA-N	423.586	5.436	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(C(F)(F)F)c1	499555096	FPXCPUCDSOCEDF-UONOGXRCSA-N	422.472	5.874	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccn2)c1	499893201	HSGINSWMORHIOE-WZONZLPQSA-N	416.550	5.553	30	20	HKED	
COc1ccccc1C1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1	499977645	AHLCSPMJVZCXQU-UHFFFAOYSA-N	414.530	5.180	30	20	HKED	
CC[C@@H]1C[C@@]1(NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C)c1	502561848	WRNFPKNWDXFLFK-IECBHUPTSA-N	407.583	5.100	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1	505809158	MGVOZWKFYGZAJH-LJQANCHMSA-N	411.427	5.546	30	20	HKED	
COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	509324909	SPRIYVGCJCUXKX-UHFFFAOYSA-N	409.445	5.607	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)nc3C)n2)cc1	512497990	DZPRVENALMVCSB-HNNXBMFYSA-N	417.412	5.031	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1	512506481	MKZJJAMBVBMMPT-UHFFFAOYSA-N	419.451	5.111	30	20	HKED	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[C@@H](C#N)c2nc(C)cs2)c1	513677158	RKXHXEGSBQDWNR-LJQANCHMSA-N	416.481	5.242	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccc(F)cc1F	516381861	XLQSYYMXNGJTNL-OAHLLOKOSA-N	407.420	5.376	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1	523708114	HWHFEASQMIAAAQ-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1C#N	524105429	CPZCAYLZRCBNEH-UHFFFAOYSA-N	419.510	5.329	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)Cc1ccc(Cl)cc1	533438794	QKTNDKPJFLEPKB-IRXDYDNUSA-N	415.990	5.093	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C(F)F	535569682	NHDYYGCBTOAJPQ-UHFFFAOYSA-N	424.451	5.587	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	539865428	YWGWISZCCSROGM-MRXNPFEDSA-N	409.580	5.847	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(OC(F)F)c1	540520489	QUISCCCWZPMDMK-HNNXBMFYSA-N	424.291	5.572	30	20	HKED	
COC(=O)c1cccc(CN[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1C#N	540520522	IOYYJFBKLJFGEK-LJQANCHMSA-N	422.834	5.258	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1cc(C#N)cs1	540626386	WZTHVTGYZGHHKV-LLVKDONJSA-N	418.385	5.665	30	20	HKED	
COc1ccc(CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	541999193	RIKYRGZKBZSMMX-SFHVURJKSA-N	414.505	5.052	30	20	HKED	
C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1ccc(-c2cccc(C#N)c2)cc1	542060512	ZEKSHPSFIJZHOS-INIZCTEOSA-N	418.443	5.344	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cc(C#N)ccc2C)c1	542401293	DWJULYDTRNOVFG-NOZRDPDXSA-N	411.505	5.638	30	20	HKED	
CCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	542952424	XCPPSJNEBJZZNS-KRWDZBQOSA-N	412.493	5.456	30	20	HKED	
Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	548809453	ZBVPTUJFUHCYCJ-UHFFFAOYSA-N	404.901	5.286	30	20	HKED	
C[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)c(F)c1	551574979	ZCWPRQPWSDQLOW-QKKBWIMNSA-N	406.423	5.535	30	20	HKED	
Cc1c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)sc2ccc(C#N)cc12	556279455	ZZAKSMQUZWFNEA-UTKZUKDTSA-N	417.578	5.207	30	20	HKED	
Cc1csc(CCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1	559270720	OLLUQHTXAKRMNA-UHFFFAOYSA-N	405.523	5.058	30	20	HKED	
COc1cccc(Cc2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)c1	564092116	GUSSYNGRCZEXNM-UHFFFAOYSA-N	413.502	5.500	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	565139774	OYUVQGDKWGBYDD-IBGZPJMESA-N	408.445	5.263	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)CCCCC4=O)n2)cc1	574491319	GNKBXAQFQKSTSO-FQEVSTJZSA-N	400.503	5.518	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1	589416292	CWFAZOBBAMATFF-OAHLLOKOSA-N	419.481	5.128	30	20	HKED	
C=CCCOCC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	590260750	NHQJCJYZTUNHSD-UHFFFAOYSA-N	400.837	5.351	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2oc(CO)cc2c1	590563893	PDPSTNZUECCFPF-UHFFFAOYSA-N	400.459	5.200	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@@H]1c1ccc(F)cc1F	603054185	LUVOCLFITQBZHF-YHSMRFHHSA-N	415.324	5.094	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3sc4cc(F)ccc4c3Cl)cn2)c1	603621958	FSDRWYIARGWAIG-UHFFFAOYSA-N	423.856	6.005	30	20	HKED	
CSCc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)oc2ccccc12	604248731	MZAYTHISTJWDJV-UHFFFAOYSA-N	418.440	5.372	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(Cc2ccc(F)cc2)n1	608871300	VIPOGZCCMOQAOJ-UHFFFAOYSA-N	417.465	5.185	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n(-c2ccccc2)n1	609060397	CTPDLZMTFFGEKY-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1ccc(F)cc1	609078340	JSURUQHNWXUNFF-GOSISDBHSA-N	417.484	5.810	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Cl)c1	609372311	RMAWPQXPRPTMQP-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1SCCC#N	609375482	DIYZBNCGFMGVNR-UHFFFAOYSA-N	413.955	6.030	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1	609504302	KJIIMCHEFBHKLF-UHFFFAOYSA-N	407.473	5.579	30	20	HKED	
CN(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cccc(Cl)c1	609549794	KKGJIVAYUNOKFZ-QHCPKHFHSA-N	419.912	5.032	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	610156906	FQVAGGKAYDDRPF-VNQPRFMTSA-N	420.456	5.579	30	20	HKED	
C[C@@H](C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)s1	610387567	SJWYJKVXGHGGMG-SNVBAGLBSA-N	418.341	5.248	30	20	HKED	
CC(C)(C)c1ccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)C(F)(F)F)cc1	610390292	YBWVLCPVDQHIOK-LJQANCHMSA-N	414.431	5.299	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)s1	610599162	WDVOLJUXQBVQQT-MSOLQXFVSA-N	407.564	5.021	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(Oc2ccccc2Cl)CC1	611094719	WGKOTHWTTNKTLH-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCc1ccc(C(F)(F)F)cc1	619791791	ZXFRWLUKNUJRGA-UHFFFAOYSA-N	404.819	5.487	30	20	HKED	
O=C(NCc1cccc(C(F)(F)F)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	622632120	HFFHKZHNAQNNCK-UHFFFAOYSA-N	416.243	5.068	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc2ccccc2n1C(F)F	642282504	YENCRFADTOJCCJ-KRWDZBQOSA-N	423.444	5.562	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(F)c1	645071441	YKRNIYRYRPMPNA-MYJAWHEDSA-N	423.275	5.066	30	20	HKED	
O=C(c1cc(Cl)c(F)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	645116583	GWMIGSYPQHKTOT-KNVOCYPGSA-N	412.132	5.335	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	670062800	IONBVAZBUSIKPP-HTQZYQBOSA-N	424.263	5.022	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1sc(C)nc1-c1cccs1	672239580	IQGYTQVJEXXEJQ-UHFFFAOYSA-N	414.600	5.105	30	20	HKED	
Cc1ccc2oc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2n1	677559961	VIAVWSPJIZPHNJ-LLVKDONJSA-N	401.369	5.255	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1	685545563	ZBPGFLMDLRXWJB-GOSISDBHSA-N	416.884	5.005	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNc1ccc(OC(F)F)cc1	726427197	SDJMCIYOWCEFGH-UHFFFAOYSA-N	408.811	5.080	30	20	HKED	
N#CCOc1ccc(CNC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1	727844645	DVSYWVMZLOWHPS-QHCPKHFHSA-N	419.912	5.026	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1sc2cc(Br)ccc2c1Cl	729828871	XXICZHLWVFTSMU-UHFFFAOYSA-N	405.704	5.750	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1csc2ccccc12	729962132	ROJDJFDHWBKJAU-OAHLLOKOSA-N	402.475	5.436	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1OC	730505433	BDPHVPRTRWQHAB-QAAVPBIRSA-N	420.534	5.274	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1	733806249	XVYRLQUJEIKZBU-VQIMIIECSA-N	415.946	5.057	30	20	HKED	
O=C1/C(=C\c2nccn2Cc2ccccc2)CC/C1=C\c1nccn1Cc1ccccc1	734095690	GHBRKGJJHVHLKO-QFFDILLMSA-N	420.516	5.006	30	20	HKED	
COc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	734304985	CZNHXAIGJGGHEF-VCHYOVAHSA-N	419.408	5.144	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(CCc2ccc(Cl)cc2)CC2CC2)c1=S	735073641	ROQJLXTZOMZCPG-UHFFFAOYSA-N	402.995	5.043	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	742486411	ROOHOHQBNCBQEA-UHFFFAOYSA-N	420.962	5.885	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F	744026437	XVUXAICIBQZJHQ-YBHKSSGVSA-N	406.791	5.110	30	20	HKED	
C[C@H](OC(=O)/C=C/c1ccccc1C#N)c1ccc(N(C)Cc2ccccn2)c(F)c1	744204409	QKAJSXCLVCGUGW-YLZCUGDYSA-N	415.468	5.046	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cnc(-c2ccncc2)s1	753142821	AAMKYUJFVWFZEK-VOTSOKGWSA-N	407.495	5.672	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	753400452	NQMIQBSJJPCASU-BLLLJJGKSA-N	418.440	5.694	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc3ccc(C)cc3o2)cs1	754828110	CWOMOPYVEVOWQG-JXMROGBWSA-N	420.465	5.918	30	20	HKED	
C#CC[C@@H](NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)c1ccccc1	756995342	GOEQSCOPNDYHAR-HSZRJFAPSA-N	416.477	5.037	30	20	HKED	
CCOC(=O)Nc1ccc(Br)cc1NCc1ccccc1C(C)(C)C#N	763370184	MXHFHYDYTPBGGR-UHFFFAOYSA-N	416.319	5.431	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](Cc2ccc(F)cc2)c2ccccc2)ccc1OC	774238221	UORVFLCCIRZRDY-ZEQRLZLVSA-N	418.512	5.589	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c12	780158354	LZYLYRVHUXCGQY-OAHLLOKOSA-N	419.529	5.161	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F	780472063	TXOHEPBNHIFWMF-LLVKDONJSA-N	413.783	5.216	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C(F)(F)F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F	784247683	UEUUQRRQYNRMFG-SECBINFHSA-N	423.284	5.047	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)c1csc(-c2cc(Br)cs2)n1	784623732	CHFJHNKWOAXKNJ-MRXNPFEDSA-N	416.362	5.020	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	786305713	BFQSBCBQTKJWPI-JHJVBQTASA-N	413.713	5.159	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2cc(Br)cs2)c(-c2ccccc2)n1	788353236	FRNDPPSCFNCUBX-BQYQJAHWSA-N	412.312	5.184	30	20	HKED	
COc1cc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccccc2)ccc1SC	788353995	DMOMLNHWXHYYQF-LUAWRHEFSA-N	403.507	5.090	30	20	HKED	
CC(=O)N1C/C(=C/c2cnc(-c3ccc(Cl)cc3)s2)C(=O)c2ccccc2C1	789148035	MLXXQMKFIFOPKD-YVLHZVERSA-N	408.910	5.092	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1	789450323	NTUIWYZYOSZPNQ-QHCPKHFHSA-N	412.549	5.901	30	20	HKED	
N#CC1(N(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CCC1	791002303	FHKZZSJYXHFNHM-GORDUTHDSA-N	402.338	5.175	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1	795041089	NYVQKLFSTJLCHM-UHFFFAOYSA-N	417.925	5.419	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(F)c3ccccc23)c1	806806610	DRGLYSBLURNWQA-SJLPKXTDSA-N	405.473	5.220	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc2ccccc2s1	810282214	OHACXWQPXSPIQZ-CQSZACIVSA-N	415.478	5.238	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)ccn1	813217880	JYUXWDBRVRFEBV-ZDUSSCGKSA-N	417.214	5.443	30	20	HKED	
Cc1nc2ccccc2c(=O)n1N=Cc1ccc(-c2ccc(Br)cc2)s1	863951567	KXVDPHFTKOBIII-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1	915085040	DMSIMURTBLCGFM-FQEVSTJZSA-N	414.490	5.025	30	20	HKED	
COc1cccc(NC(=O)/C(=C/c2ccc3ncccc3c2)C(=O)c2ccccc2)c1	916156261	PZAAKKCCMDMMTJ-XQNSMLJCSA-N	408.457	5.148	30	20	HKED	
Cc1nc(SCC(=O)[C@H](C#N)c2ccccc2)c2cc(-c3ccccc3)sc2n1	916622822	MZTRGCBETRIMAK-LJQANCHMSA-N	415.543	5.635	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1cccc2ccccc12	916918398	OPPYURMCONYOQB-JOCHJYFZSA-N	418.452	5.629	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)ccc2c1	916936527	NOJPBEYCRPBGEN-KFILLSGMSA-N	422.843	5.002	30	20	HKED	
CCOc1ccc(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917047461	XXOGHSJXRXJSSM-OAHLLOKOSA-N	402.928	5.317	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1	920103892	GTEVYTVHWJILOL-INIZCTEOSA-N	413.304	5.698	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CCC1	1785757916	QTTSFDQQBPQIRN-FQEVSTJZSA-N	423.944	5.251	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccs3)cc2)CCC1	1785820119	RWRZAIVPKCGPRK-ISLYRVAYSA-N	406.551	5.089	30	20	HKED	
C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccco3)CCC2)cc1	1789508766	IOMPPUMDDQVHQV-UHFFFAOYSA-N	422.601	5.078	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4(C)CCC4)CCC3)cc2)c1	1792122836	YVYXIXZCQNMDDM-SFHVURJKSA-N	415.537	5.252	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1	1792264032	VNKQVZTZBQKGBI-UHFFFAOYSA-N	420.509	5.202	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](CC=C)C(=C)C)n[nH]1	1819301666	OCBNALJGFFBGAT-AZUAARDMSA-N	412.578	5.163	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@@H]2C)CC1	1828478457	IPYKCTXSAKFRSX-BVSLBCMMSA-N	402.623	5.035	30	20	HKED	
CCOc1cccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)c1OC(F)F	7165153	RPTZHWWENLIJQE-WJDWOHSUSA-N	418.465	5.195	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(Cl)cc2)cc1	10831705	AFHMKFRYAUTZQG-UHFFFAOYSA-O	413.925	5.380	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccccc1C	11165963	YZRQVZKAMPWHKF-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(CC)c2)cc1	23604595	REPIALZNZRATHY-UHFFFAOYSA-O	420.602	5.485	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccccc2)c1	28776742	GLWIVGHTSBDGEU-UHFFFAOYSA-O	403.571	5.631	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc(Cl)c1OCCC(C)C	41547185	WLYMXCSJTZTZST-HNNXBMFYSA-N	412.873	5.405	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)c2)c1	55772179	HFYHLADIYVNBLF-RDJZCZTQSA-N	415.415	5.118	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)c1cnn(C(C)C)c1	58465472	OXPBJUYRXMHWLL-CMDGGOBGSA-N	403.313	5.220	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)c(C)c1	63568996	MYNHKOBYWMVTIN-UHFFFAOYSA-N	407.564	5.800	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1	64240730	IRJWJCSXUBLKQN-UHFFFAOYSA-N	416.550	5.044	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccccc2F)cc1OCc1ccc([N+](=O)[O-])cc1	211422404	TVFPWWYDFIDPPZ-WQLSENKSSA-N	407.397	5.218	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2cccc(C#N)c2)cc1OCC	236992847	CASALUOXNPKCKS-HNNXBMFYSA-N	415.331	5.135	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](c2ccccc2)c2nccs2)c1	237840311	IBLUELCTVVVJAB-XMMPIXPASA-N	411.530	5.473	30	20	HKED	
C[C@H](Nc1cc(C#N)c([N+](=O)[O-])c(N[C@@H](C)c2cccc(O)c2)c1)c1cccc(O)c1	302906454	WWIJNTUAEHUITR-GJZGRUSLSA-N	418.453	5.224	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1[N+](=O)[O-]	303174508	JUBDQXQDSAQGHX-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1cc2ccccc2o1	303373521	KPRMYIWWGMXEBG-ZWKOTPCHSA-N	421.566	5.849	30	20	HKED	
CN(CCCC1(C#N)CCOCC1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	410387460	IALVAIVGPNWNMH-JOCHJYFZSA-N	400.925	5.601	30	20	HKED	
Cc1cc(-c2ncccc2NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cs1	432608730	UUWKBLMLNKWKER-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3F)cc2)nc1	432853262	JKCFNZHVYFWYHK-QFIPXVFZSA-N	419.431	5.391	30	20	HKED	
Cc1cc(Br)ccc1CN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1	434234366	JSAMOMNFYVIGKV-UHFFFAOYSA-N	400.320	5.223	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436045578	FHRIDBXTNKYNMO-ZPPKWKGLSA-N	421.303	5.794	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1	438215222	YOAZDSNYJOAJBY-MRXNPFEDSA-N	401.466	5.125	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1	440391695	OOAZAHQTOKQOMS-LEAFIULHSA-N	422.528	5.564	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2c(F)cc(F)cc2F)c1	443914587	HZGMVOCAIOFZDN-UHFFFAOYSA-N	402.759	5.674	30	20	HKED	
Cc1ccc(NC(=O)CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	444739625	DWXYCZTVXPJLLO-MRXNPFEDSA-N	422.344	5.375	30	20	HKED	
COc1cc(Cl)ccc1-c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1	445686917	LYAXDTAQBQXDRZ-JXMROGBWSA-N	404.857	5.437	30	20	HKED	
C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]1c1ccsc1	460951307	KEWURATYUQTLKF-NRFANRHFSA-N	403.555	5.260	30	20	HKED	
CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	464161940	KFVAGBSLSUNYCW-HXUWFJFHSA-N	401.850	5.099	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)cc1	464486468	MCURUIGTVMAUSL-SFHVURJKSA-N	403.473	6.021	30	20	HKED	
Cc1cc(Cl)c2c(c1)[C@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCO2	468840755	DQAZDTAXQWILJI-OAQYLSRUSA-N	423.944	5.557	30	20	HKED	
Cn1c(CSCc2ccc(C#N)cc2OC(F)F)nnc1-c1ccc(Cl)cc1	471876860	ZLQROKVUUMDTOG-UHFFFAOYSA-N	420.872	5.042	30	20	HKED	
COc1cc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1Br	472746701	FZTYTSYKALCUMD-GFCCVEGCSA-N	420.332	5.353	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1	474414579	OQHNHLICJLKVKY-UHFFFAOYSA-N	412.449	5.055	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc1	474789191	VPSOMWPJARSNBH-UHFFFAOYSA-N	405.885	5.367	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1	475175214	PUPDJSCEXHMFOG-AWEZNQCLSA-N	422.381	5.316	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1	475557494	BYKNIOSNKSSMTG-UHFFFAOYSA-N	423.532	5.058	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H](CC#N)c1ccccc1	475936403	ZKXNVHLDZROIRR-HSZRJFAPSA-N	411.480	5.627	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1	476064248	SQQYPLLHUUGARY-SIKLNZKXSA-N	418.928	5.481	30	20	HKED	
C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	480124629	HEXLWLQYLACMRX-OAHLLOKOSA-N	406.873	5.624	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C)c1ccc(F)c(F)c1	481467579	PVQKWGWGCFWWIA-HXUWFJFHSA-N	424.451	5.640	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](Oc2ccccc2OC)C1	482080924	ISVNZFSCCRKOLT-FQEVSTJZSA-N	408.542	5.622	30	20	HKED	
C=C(C)[C@H](NC(=O)N(Cc1cccnc1)Cc1ccccc1C)c1ccc(F)c(F)c1	483303433	FWCPPLLLHVVOOS-DEOSSOPVSA-N	421.491	5.697	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1ccc3noc(-c4ccc(F)cc4)c3c1)CCCC2	484171045	CEGTUEISXCLOOU-UHFFFAOYSA-N	412.424	5.032	30	20	HKED	
COc1ccc([C@@H](NC(=O)Cc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1	492046567	SESMMFHOMNAPAP-QHCPKHFHSA-N	424.422	5.034	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)N(CCC#N)Cc3ccco3)cc2)cc1	494184634	CJJXYJNDFFYAIV-UHFFFAOYSA-N	419.481	5.209	30	20	HKED	
CC(C)Cn1ncc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cnc21	498375402	HEIDJQJSISZBSL-UHFFFAOYSA-N	411.465	5.004	30	20	HKED	
C=CCN(C(=O)c1cnc(C)s1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	499309276	BOZSOCKYSNNEAC-UHFFFAOYSA-N	417.559	6.075	30	20	HKED	
Cc1nnc(SCc2c(C(=O)N(CC#N)c3ccccc3)oc3ccccc23)s1	499617428	LHPLITMAJIWGOB-UHFFFAOYSA-N	420.519	5.055	30	20	HKED	
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	502529679	VRMPYGQKJSTDML-HSZRJFAPSA-N	421.522	5.163	30	20	HKED	
N#Cc1cccc(NC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1	502825937	KQQJSIFMWBMFFS-UHFFFAOYSA-N	415.840	5.591	30	20	HKED	
CC(C)CN1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	504040361	YHYPBPHOWHMUFI-JOCHJYFZSA-N	424.976	5.237	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1	504276507	FNJZRIMSJFHRHI-UHFFFAOYSA-N	420.534	5.167	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1	505692387	UERNWGDAULHELO-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
N#CC1CCC(CNC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1	508370767	WPISDRVXESDNLT-UHFFFAOYSA-N	404.407	5.571	30	20	HKED	
COc1ccc(N(C(=O)c2cccc(OCc3ccccc3C#N)c2)C(C)C)cc1F	509809593	NDTYGCOYALYYHN-UHFFFAOYSA-N	418.468	5.340	30	20	HKED	
CC1(c2nc([C@@H]3CCCCS3)no2)CCN(c2ccc(Cl)cc2C#N)CC1	514887008	GVSSUJQBPWQOMF-KRWDZBQOSA-N	402.951	5.111	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	517983597	VMADUWFYFUBAKU-IBGZPJMESA-N	414.619	6.273	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(Cl)sc4[nH]3)n2)cc1	519671462	AVYQBICODQEGEZ-CYBMUJFWSA-N	413.911	5.505	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)Cc2ccc(F)cc2)cc1	519913163	KJZXEJXMAWQBKB-UHFFFAOYSA-N	409.505	5.084	30	20	HKED	
C=CCN1CCC(NC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1	520687101	YGCWCAZNUSFGSB-UHFFFAOYSA-N	405.325	5.166	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nnc(-c2cccs2)o1	520835828	XDMIAIQTIRMPRB-LLVKDONJSA-N	424.473	5.996	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc2ccccc2nc1O	522056651	CFXYPVRUFYPIPN-OAHLLOKOSA-N	423.563	5.207	30	20	HKED	
Cc1csc(C2(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CCC2)n1	524541804	LMYSVWCFXWJFEJ-UHFFFAOYSA-N	403.507	5.119	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2cccnc2)s1)c1nc(-c2ccc(Cl)cc2)cs1	534192711	RTKPCLUUQZQQQV-HNNXBMFYSA-N	422.922	5.472	30	20	HKED	
C=CCOCCCc1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	535959994	NKFITDWJCLWPQJ-UHFFFAOYSA-N	404.495	5.057	30	20	HKED	
COc1cccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)[nH]2)c1	536767701	NTAUAMZLZHMCNC-OAHLLOKOSA-N	422.897	5.147	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](CCCCc3ccccc3)c3ccccc3)o2)cc1	537122577	DWBJVLYCUULDNV-RUZDIDTESA-N	422.532	5.852	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)c2)cc1	540128198	KZSQFGMJWKLXPR-HYBUGGRVSA-N	413.477	5.250	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1cccc(Cl)c1	540415322	YTRPQLJFYHOOMR-OAHLLOKOSA-N	401.963	5.198	30	20	HKED	
C[C@H](NC(=O)CSCC(=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	543915810	TZWSTODZBUQGFS-SFHVURJKSA-N	414.530	5.019	30	20	HKED	
C=CCC(C)(C)c1noc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)n1	551497692	CYYXKZRAXAEBBE-UHFFFAOYSA-N	421.526	5.115	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1	554603951	DJMIYUWJCGJMSE-MRXNPFEDSA-N	407.543	5.136	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1cccc(Oc3ccc(Cl)c(Cl)c3)n1)CC2	559475581	KRFNDKHLGDCGJC-UHFFFAOYSA-N	410.260	5.255	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	569275150	AFJYKWRUYHEUIA-HNAYVOBHSA-N	413.447	5.132	30	20	HKED	
C=CCn1c(SCC(=O)N2C[C@H](C)c3ccccc32)nnc1-c1ccc(Cl)cc1	581268586	AMHMOVFPJYOVID-HNNXBMFYSA-N	424.957	5.027	30	20	HKED	
CCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)o1	582086904	NBMZWIIMAPEWGC-MRXNPFEDSA-N	407.392	5.024	30	20	HKED	
CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589363263	HGYALGRBZCPNFY-UHFFFAOYSA-N	418.472	5.371	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C(F)F)[nH]c4c3)n2)cc1	601432838	DZYJKZGLMCTZTP-AWEZNQCLSA-N	424.432	5.123	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	603660415	RLTMCRYNNYBNGZ-SFHVURJKSA-N	403.404	5.177	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(-c3cccs3)n2)sc2c1CCCCCC2	603996106	KAFAJXQTCGSIJH-UHFFFAOYSA-N	413.593	5.645	30	20	HKED	
Cc1ccc(-n2c(S[C@H](C#N)Cc3ccccc3)nnc2-c2ccncc2)cc1C	604071656	PBCWNBDWSWHAPP-QFIPXVFZSA-N	411.534	5.173	30	20	HKED	
C=CCCCCCN(C)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1	606813847	AXFWAWCDSJHIKQ-UHFFFAOYSA-N	415.584	5.703	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)c1occc1COc1cccc(C#N)c1	608802123	MOXIQNDUJZRSFH-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)c1	609061180	UOKQFCGXUYEVCG-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CSc1ccc2c3c(cccc13)CC2	609378739	KGMUGDRGENIQIS-UHFFFAOYSA-N	404.560	5.675	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCc1ccc(Br)s1	609382879	WBUFAMDWTANWKM-CYBMUJFWSA-N	423.401	5.724	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccc(F)cc1F	609389350	MIIQMCUKWPPMSS-KBPBESRZSA-N	406.523	5.792	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2csc(-c3ccc(Br)s3)n2)s1	609968727	BKPYYFKTNMGFKQ-UHFFFAOYSA-N	424.370	5.382	30	20	HKED	
CC(C)CC[C@](C)(O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610141394	DVYGUTQQAFMSBU-OFNKIYASSA-N	413.949	5.304	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	610156865	AWXLDDVNEJWOOZ-KBMXLJTQSA-N	420.456	5.722	30	20	HKED	
C[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(C#N)c1	610360474	XAVVEYLTMRSFCR-CYBMUJFWSA-N	415.440	5.120	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1	610490424	UAICKUJRJNHUSX-HSZRJFAPSA-N	414.530	5.313	30	20	HKED	
CSc1cccc([C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)c2cc(F)ccc2F)c1	612375275	MHARQFSNGXVBOO-UNMCSNQZSA-N	415.509	5.111	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc(-c3ccco3)nc21	613290902	OSGZGUYARPFPHF-GOSISDBHSA-N	421.460	5.310	30	20	HKED	
N#C[C@]1(F)CCN(C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1	615539453	KVDCJZAAOCUTOU-LJQANCHMSA-N	400.866	5.086	30	20	HKED	
CC(C)c1c(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cnn1-c1ccc(Cl)cc1	618767167	AIOMQDLFGPILPS-FQEVSTJZSA-N	419.916	5.330	30	20	HKED	
Cc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)n(-c2ccccc2C(F)(F)F)n1	620446766	PKRRFMZDKXIEQE-UHFFFAOYSA-N	417.284	5.008	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1-c1cccnc1	650990306	UEMQWXITKASLLV-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
COc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)c(O)c1	725827034	LKDICCNIZBMPEQ-UHFFFAOYSA-N	404.495	5.217	30	20	HKED	
CC(C)c1ccccc1N=C1NN=C(c2cn(CCC#N)c3ccccc23)CS1	727173090	SRGUCWTYTQIWER-UHFFFAOYSA-N	401.539	5.407	30	20	HKED	
CC(=O)Nc1ccc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1	728438807	PCLYJOXPUDATJR-FOWTUZBSSA-N	408.910	5.634	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1cscn1	731435629	XCLZJPSVZYESLG-OAQYLSRUSA-N	421.497	5.170	30	20	HKED	
O=C1/C(=C\c2ncc(-c3ccc(Br)cc3)[nH]2)CCOc2ccc(F)cc21	732714368	QQSLRXMYVQLFGH-LCYFTJDESA-N	413.246	5.027	30	20	HKED	
N#CCOc1ccc(COC(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1	733450335	XVMXIJQGQDAZRP-UHFFFAOYSA-N	404.171	5.272	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)c1	733787644	SWWWLIDDAXXRNW-XXBNENTESA-N	415.537	5.325	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1	734934103	CXLZCAUBLXKHFA-UZLBHIALSA-N	411.571	5.091	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Oc2ccc(-c3nnco3)cc2)c1	734991130	LDFCUQXQGXRIJI-UHFFFAOYSA-N	417.808	5.273	30	20	HKED	
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	735821413	DZDAWDVBRGUHQZ-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1cnc2ccc(C#N)cn12	736434442	SIZBFGDBBFMLHM-BQYQJAHWSA-N	404.882	5.187	30	20	HKED	
CC(=O)Nc1c(C)cccc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	742959933	CHXBQQVXGYBUTG-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)OCC3(CC#N)CC3)c12	744277473	NDFDCOQKMGCNSL-UHFFFAOYSA-N	415.371	5.068	30	20	HKED	
COc1ccc(/C=C2\COc3c(Cl)cc(Cl)cc3C2=O)cc1OCCCC#N	747361635	TXMYMDVHLRIQDX-RIYZIHGNSA-N	418.276	5.343	30	20	HKED	
Cn1c(CSc2nc3ccccc3s2)nnc1SCCCC(C)(C)C#N	747807682	SJYOGQOJGJQEKJ-UHFFFAOYSA-N	403.602	5.139	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C(C)=C\c2ccc(OC)c(F)c2)cc1	755605172	YNVBJXGKSFWKKC-MYNQYYFHSA-N	408.473	5.099	30	20	HKED	
COc1ccc(/C=C(\C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1F	755608888	AZJUOAWESGCWOQ-KAPURRDVSA-N	406.482	5.546	30	20	HKED	
CC[C@H](C)c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	756223859	HHWJLAYBYCNAHX-SUMWQHHRSA-N	405.523	5.279	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1	757778478	NMSRILPIIUEZSY-QFIPXVFZSA-N	423.944	5.289	30	20	HKED	
C[C@@H](OC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)Nc1ccccc1C(F)(F)F	761251624	DHUMJDZKVWWLED-SECBINFHSA-N	423.284	5.047	30	20	HKED	
CC(C)(C)O[C@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1	764753651	TVCPKDCYUYMEAP-NSHDSACASA-N	422.312	5.257	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1	765351371	RJJDWDKDUNLEKU-DLBZAZTESA-N	400.906	5.186	30	20	HKED	
C=CC[C@@H](N[C@@H](C)c1ccc(Br)cc1Br)c1ccncc1	766022057	VVDIPEZWEZZYPO-YVEFUNNKSA-N	410.153	5.575	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1	769449729	JEADGAGDTQVLEI-PGRDOPGGSA-N	402.519	5.015	30	20	HKED	
C=CCCCCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl	770083086	SPMSWRKWCDVJGI-UHFFFAOYSA-N	421.797	5.265	30	20	HKED	
COCCC1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCCCC1	775489837	YOFPXTANQATLNP-HSZRJFAPSA-N	405.542	5.451	30	20	HKED	
Cc1ccc2cc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)ccc2n1	783511517	GWNNOTRHDYGAJT-UHFFFAOYSA-N	410.502	5.172	30	20	HKED	
CCCc1c(NC(=S)Nc2c(C)cc(C)cc2Cl)cnn1-c1cccc(C#N)c1	783953566	XVTPNEKDNKYKMZ-UHFFFAOYSA-N	423.973	5.776	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(-c3ccc(Cl)s3)cn2)cc1Cl	788350350	MYPNWJFRFKCZAW-UHFFFAOYSA-N	405.335	5.797	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(OCC4CC4)cc3)c(=O)c2c1-c1ccccc1	790148827	OGOUREKMHFJMSH-UHFFFAOYSA-N	415.518	5.104	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccc1NC(=O)OC(C)(C)C	797567797	LWZSKAUVOAQFCO-OAHLLOKOSA-N	413.543	5.586	30	20	HKED	
N#CC1(CCCOC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)CCOCC1	800108242	ZVKCEKGSEAFRMC-CLFYSBASSA-N	415.942	5.725	30	20	HKED	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3SCC#N)cc2Cl)C1	800572019	SERFEKUBGUKNDD-MRXNPFEDSA-N	413.974	5.122	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)o1	805867520	JXKZQZUYPSIDCC-GFCCVEGCSA-N	415.465	5.183	30	20	HKED	
Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	806263082	ARBLDIWGDAGJHI-HXOBKFHXSA-N	423.582	5.224	30	20	HKED	
CN(C)c1cccc(Oc2ccc(-c3noc(-c4ccccc4OCC#N)n3)cc2)c1	809435491	YJYSTNBYOCAJNU-UHFFFAOYSA-N	412.449	5.164	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4cccc(Cl)c34)n2)cc1	815911079	QOGYKUNNRZUGLD-INIZCTEOSA-N	405.910	5.672	30	20	HKED	
COc1cc(-c2noc(-c3sc4ccc(C#N)cc4c3C)n2)cc(Cl)c1OC	904404180	APSTYKSWMJTQGQ-UHFFFAOYSA-N	411.870	5.469	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc2ccccc2n1	916848212	GHKKNPQNCLSLTQ-RCZVLFRGSA-N	418.452	5.179	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C2SCCS2)cc1	916902132	CMCUPYKVZKXRMA-IBGZPJMESA-N	424.591	5.251	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCC1)c1nc2cc(C(F)(F)F)ccc2s1	917044304	QQWXCUUCYOGTMJ-HNNXBMFYSA-N	418.415	5.752	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1	1789003774	AJVYKBYRPCKBDO-UHFFFAOYSA-N	420.534	5.100	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CC4CCCC4)CCC3)cc2)cc1	1790706069	AKKWEDRDIYBBDZ-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c1	7744066	VAWGQCZZKPNFIT-OUKQBFOZSA-N	418.880	5.447	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C	36022814	JCQNSNSIOSJPTE-KELUXRKGSA-N	423.513	5.237	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2cccn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	41514831	DCGPKMWUPIYXIZ-SFHVURJKSA-N	404.882	5.139	30	20	HKED	
CC(C)OCc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)oc2ccccc12	48828778	OMMFQVUKWMCPNG-OAHLLOKOSA-N	402.372	5.262	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C#N)c3)c3c(C)noc3n2)cc1	58537745	XDKNKGSZUAHVFB-UHFFFAOYSA-N	402.841	5.284	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccccc1SCc1csc(C)n1	65774465	XMAWKCFASSCXND-UHFFFAOYSA-N	408.592	5.615	30	20	HKED	
C[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C	195903497	BOEVHVGVPUAQBA-UHFFFAOYSA-N	412.874	5.806	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	301946831	VEAXDNSZOQHOLH-TZMCWYRMSA-N	421.488	5.913	30	20	HKED	
CC[C@@H](CC#N)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	427474600	UHTUFNBEFBTCFX-FDWYHIAWSA-N	405.523	5.044	30	20	HKED	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	429431081	SDQKPUXFCSYKGA-QFIPXVFZSA-N	415.493	5.156	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ccc(Sc4ccccn4)o3)cc2)ccn1	431655157	LPKZIGMJCMNZBJ-UHFFFAOYSA-N	400.463	5.497	30	20	HKED	
COc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c(OC2CCCC2)c1	431965229	FPWYXVVJFSSWDY-HSZRJFAPSA-N	421.541	5.251	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccccc1	432697699	SOQZRUXQCBXKJP-FQEVSTJZSA-N	418.522	5.557	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)cc2)nc1	432853261	JKCFNZHVYFWYHK-JOCHJYFZSA-N	419.431	5.391	30	20	HKED	
CC(C)(c1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1)C(F)(F)F	433693581	JPGBOQXDXPDYSH-UXHICEINSA-N	400.444	5.438	30	20	HKED	
Cc1sc([C@@H](C)NCc2ccc(C#N)cc2Cl)nc1-c1ccc(Cl)cc1	439428471	GHPFRSIOZUAKBR-GFCCVEGCSA-N	402.350	6.148	30	20	HKED	
COc1ccc2sc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c(C)c2c1	461112223	JEWRBKQXFQTCRB-OAHLLOKOSA-N	405.306	5.520	30	20	HKED	
C=CCOc1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	464050083	RSWYFGDPVHVRTO-UHFFFAOYSA-N	404.457	5.684	30	20	HKED	
CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@H]1CCOC(C)(C)C1	464684722	HRLOZDNEDKWUGO-KRWDZBQOSA-N	412.917	5.424	30	20	HKED	
C=CCOc1ccc(CN(C(=O)CCc2nnc(-c3ccccc3)o2)C(C)(C)C)cc1	467890444	UQEDWSILJPUMRL-UHFFFAOYSA-N	419.525	5.061	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCOc4ccc(Cl)cc43)ccc21	469292689	ZRWFLJISURKLKC-FQEVSTJZSA-N	409.917	5.249	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2n1C	474900787	OALWSIWMVOSZDO-FQEVSTJZSA-N	414.896	5.443	30	20	HKED	
CC(C)n1c([C@@H]2CCCN2C(=O)C[C@@H](CC#N)c2ccccc2)nc2ccccc21	476155206	OQQYSNHHWKYNCX-OFNKIYASSA-N	400.526	5.368	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cc(-c3cccnc3)ccc2C)c1C#N	477573897	WPEQOWBTKZNMNK-UHFFFAOYSA-N	400.507	5.175	30	20	HKED	
N#Cc1csc(/C=C(\CC(=O)O)c2nc3cc(Br)ccc3s2)c1	480329090	GLOHTBLRNIOMAD-ONNFQVAWSA-N	405.298	5.007	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCCOc1cccc(Cl)c1Cl)c1ccccc1	487190021	XGIYWRSTEUCACF-GOSISDBHSA-N	405.325	5.704	30	20	HKED	
N#CCCC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1	487311059	BQNFCVWGTQZQOS-QGZVFWFLSA-N	421.722	5.033	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1ccccc1	488351702	RKHVPSFGMGZEKL-QHCPKHFHSA-N	421.518	5.181	30	20	HKED	
Cc1ncc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)s1	489133882	WXSQHKUXDAZZHL-UHFFFAOYSA-N	412.540	5.042	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	494128932	VSHRFOPZIAGSNT-UHFFFAOYSA-N	409.873	5.460	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	495093763	QPUQWAQVKRWDEM-NRFANRHFSA-N	419.525	5.111	30	20	HKED	
N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)c1	495466354	XYOINRTXKRYOOJ-UHFFFAOYSA-N	424.504	5.108	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	497377211	SRANOBXEUUROPY-NSKAOLIHSA-N	424.429	5.117	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(Sc2ccccc2)cc1	499992746	PVBANMIJXRDTCL-UHFFFAOYSA-N	422.550	5.211	30	20	HKED	
Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	504092218	VDUMPJFJQOUEGQ-QHCPKHFHSA-N	410.539	5.346	30	20	HKED	
N#C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1	505977918	XFLOGVCTBKVUBN-BBRMVZONSA-N	401.215	5.410	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1	508255802	ABTNPNVFXKRXPQ-INIZCTEOSA-N	419.456	5.723	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)s2)cc1	511270330	ZBGPJOXQJRPQKE-HXUWFJFHSA-N	422.941	5.628	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	512485969	USNXLZBIKORDLW-AWEZNQCLSA-N	405.306	5.880	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1CN(CC)CC	514579170	QJBINCIIQNSJMF-UHFFFAOYSA-N	405.995	5.141	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	516071637	NGHQRUCSUKAUEF-HXUWFJFHSA-N	419.506	5.357	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1	517099018	LLWICVXLJFBSGU-UHFFFAOYSA-N	424.888	5.034	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sccc3Br)n2)cc1	518516665	RFHQUNULEAHZEZ-LBPRGKRZSA-N	419.325	5.133	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3c(F)cccc3N3CCCC3)c2)cc1	520967842	CNDRUKDVWVDPEN-UHFFFAOYSA-N	401.441	5.342	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccco1)Cc1cccs1	521261138	MSIYAUKWECCEDJ-MRXNPFEDSA-N	411.552	5.827	30	20	HKED	
C=CCN1CCC(NC(=O)N(Cc2ccc(-c3ccc(C)cc3)s2)C(C)C)CC1	521603914	NJPDDFTZSZZZFV-UHFFFAOYSA-N	411.615	5.294	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Oc2ccccc2)nc1	522191065	DNXDITBQJGYGKE-UHFFFAOYSA-N	413.930	5.487	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1	522313626	QRHHZEDNIZDLBN-QHCPKHFHSA-N	414.461	5.002	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1cccc(OC(F)F)c1	524492895	RJMGJIDKHDOBEA-INIZCTEOSA-N	422.431	5.230	30	20	HKED	
N#CCc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)c1	531924906	KPUYIHCXGOVCGB-SILNSSARSA-N	416.484	5.435	30	20	HKED	
C=C(C)Cn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccncc1	532272867	HXIBFKYTOLLTIZ-UHFFFAOYSA-N	407.474	5.003	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC12CCC2	536699085	XECUWRMDROYSPJ-LJQANCHMSA-N	403.526	5.376	30	20	HKED	
C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCO1	537667573	YBVLPTLEOIKKQI-CXAGYDPISA-N	419.403	5.058	30	20	HKED	
CC(C)(C)S(=O)(=O)Cc1cccc(NC2CCC(C#N)(c3ccccc3)CC2)c1	538832604	XWCWTUDKFYIYBJ-UHFFFAOYSA-N	410.583	5.216	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1	541071003	QQJPLTZETDIKPX-ROUUACIJSA-N	412.537	5.761	30	20	HKED	
C[C@H](NC(=O)c1c(F)cccc1Br)c1ccc(-c2cccc(C#N)c2)cc1	541072160	HOQPLMPTYSNLON-AWEZNQCLSA-N	423.285	5.618	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2)no1	543224725	GDFFXAIFLYFWOX-UHFFFAOYSA-N	414.509	5.002	30	20	HKED	
Cc1[nH]ccc1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	544028078	BXSDZGHUSLJAIG-LBPRGKRZSA-N	418.259	5.394	30	20	HKED	
COc1ccc(CSCC(=O)Nc2ccccc2Cc2ccccc2)cc1C#N	550568929	NHUHXTCJUZLCQA-UHFFFAOYSA-N	402.519	5.030	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCC(OC(F)F)CC1	552143350	PGSRSDMBLSIBFJ-SRHKJQAYSA-N	419.312	5.223	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cc(-c2ccc(Cl)cc2)no1	558755669	PPSKEFPNWIFDRW-UHFFFAOYSA-N	410.260	5.192	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	566755197	UTKSBOLSQBODJA-KRWDZBQOSA-N	407.480	5.266	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	569089207	GPYUDHNWYCEWOU-AWEZNQCLSA-N	415.887	5.055	30	20	HKED	
N#CC[C@H](Cc1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1)c1ccccc1	582512149	UHPXJQBMWQTOGH-JOCHJYFZSA-N	419.488	5.375	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc1	583050231	ODAXSWDAGARNCA-KRWDZBQOSA-N	409.873	5.026	30	20	HKED	
N#CCn1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc2ccccc21	591862298	NZCRKEDNQMMNDG-CQSZACIVSA-N	418.428	5.057	30	20	HKED	
COc1ccccc1CCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	603533017	LVKDLUXIPSRLPK-UHFFFAOYSA-N	402.469	5.180	30	20	HKED	
CC(C)CN(CCc1ccc(F)cc1)C(=O)c1ccc(COc2ccccc2C#N)o1	603873002	STADHMWAFCPWHN-UHFFFAOYSA-N	420.484	5.210	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccncc2)nnc1-c1ccc(Br)cc1	605076725	XSMVJGBNRYBVBQ-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
CC[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)noc1C	608937495	BBZOHULHEKAXEF-ICSRJNTNSA-N	407.901	5.733	30	20	HKED	
COc1ccc(NC(=O)C2(C#N)CCCCC2)cc1OCc1ccc2ccccc2n1	609067152	ZRMKDWSDOQCPAP-UHFFFAOYSA-N	415.493	5.235	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCOC1CCCCC1	609078269	HRDAKWWYDMKJPD-UHFFFAOYSA-N	421.541	5.307	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1	609508824	BOEGCOBVGQVGKW-ZOOXZOTBSA-N	410.517	5.321	30	20	HKED	
COc1cc(C[S@](=O)[C@H](C)c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1	609742955	DRZZFFYNNWSINM-ZQHDKMAOSA-N	423.509	5.295	30	20	HKED	
COc1cccc(C[C@]2(C(=O)Nc3cccc(OCCCC#N)c3)C[C@H]3CC[C@H]2C3)c1	609784360	RNJVFONMNJNOCI-WOVHNISZSA-N	418.537	5.365	30	20	HKED	
C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ncc(-c2ccccc2)o1	610067938	CHFZAGGELGGSES-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C1CC1	611195110	JKWBOSDCEGEULV-HNNXBMFYSA-N	416.485	5.434	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1ccco1)c1cc(C(F)(F)F)ccn1	643779416	ZFRQRBQDXPHIJG-MRXNPFEDSA-N	402.397	5.476	30	20	HKED	
C=CCn1c(Sc2ncnc3scc(-c4ccc(C)cc4)c23)nnc1C1CC1	669624462	ZIKYGMORTVGUPQ-UHFFFAOYSA-N	405.552	5.473	30	20	HKED	
C=C[C@@](C)(CC)C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	682379846	FXAQDUDWUJMOMP-RDGATRHJSA-N	411.590	5.304	30	20	HKED	
Cc1ccc(F)c(CN(C)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	683536676	GLAJVZYXAZNKLI-CHWSQXEVSA-N	414.365	5.185	30	20	HKED	
COCc1cc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cc(F)ccc2n1	685904657	FIWPOPBOENEMAV-PHIMTYICSA-N	410.333	5.087	30	20	HKED	
N#Cc1ccc(COC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c(F)c1	725970610	YPVQUJSZJGNPEA-UHFFFAOYSA-N	420.387	5.126	30	20	HKED	
Cc1cc(C)cc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728175735	YZBAMTBZRWAWMZ-UHFFFAOYSA-N	405.498	5.702	30	20	HKED	
C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nnc(-c2ccccc2)o1	728669013	FWLIYPYTUTZKIS-INIZCTEOSA-N	411.417	5.319	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)n1	730072765	XUEOJBBAUDAGSG-KXBFYZLASA-N	400.475	5.440	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1	733628694	SCSWPGMUBMCKGX-UHFFFAOYSA-N	410.474	5.218	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	733904570	KTPORCNXIKXDQP-UHFFFAOYSA-N	414.412	5.573	30	20	HKED	
CCC[C@H](NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N)c1ccccc1	735320440	SOFHLLPIUMMPBN-JXFKEZNVSA-N	416.974	5.522	30	20	HKED	
Fc1cc(F)c(NN=Cc2ccccc2OCc2cccnc2)c(Br)c1	741772177	QGWUAROAHXZLAU-UHFFFAOYSA-N	418.241	5.147	30	20	HKED	
Cc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1Br	746391824	BIUSQFFMORTTER-MHWRWJLKSA-N	401.329	5.266	30	20	HKED	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CC#N)C2CC2)c1=S	747789531	HAHVDEQGYHJQOM-NBOOPKSLSA-N	413.616	5.085	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc3ccccc3s2)cc1C#N	752293924	BCOUTDYLGHASQV-CYBMUJFWSA-N	408.483	5.224	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3s2)cc1C#N	752293934	BCOUTDYLGHASQV-ZDUSSCGKSA-N	408.483	5.224	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1	753300248	SUIUUKSYSOQOJN-RPLLCQBOSA-N	423.516	5.048	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Cc3cccc(Cl)c3)n2)cc1	756529411	OZWQVRMZNMHORN-KUHUBIRLSA-N	410.926	5.527	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc(C)ccc2O)cs1)c1ccc(F)cc1F	757476819	SWQHSNIFSAOODI-YVMONPNESA-N	414.433	5.016	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)cc1C=NOc1ccccc1C(F)(F)F	763370334	OFUHKASCBIMLIN-UHFFFAOYSA-N	424.220	5.375	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(OCc2ccccc2)c1	765314904	BTJICGOGJAJQMJ-KRWDZBQOSA-N	419.456	5.190	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](c2ccccc2)c2nccs2)o1	770191728	LAFXIBWTUGECFJ-NRFANRHFSA-N	416.458	5.133	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F	770651299	CFCXSYLJFQVAJU-QLJPJBMISA-N	415.774	5.195	30	20	HKED	
CCC[C@@H]1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	780311866	GGEWGTXQULQBLG-JGGQBBKZSA-N	423.365	5.888	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cnc2ccccc2n1	792107183	CBBNQGRTPRCVJH-CYBMUJFWSA-N	415.802	5.210	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2cc(C)c(Br)s2)cn1	792906508	QFWHYRBPWKIRDI-BQYQJAHWSA-N	415.312	5.181	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)NCCCCC(F)(F)F)cc1	794973305	GKSNMQRHZKGZCR-UHFFFAOYSA-N	423.479	5.307	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)NCCCCC(F)(F)F	794977324	QHUZXTRVORWYCR-UHFFFAOYSA-N	423.479	5.620	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)cc1	795205988	TVMLGDPYGKWMJQ-LEWJYISDSA-N	410.395	5.033	30	20	HKED	
Cc1ccc(C(=O)NCC(F)(F)F)cc1N[C@@H]1CCCCc2cc(C#N)ccc21	795812946	GYJIZPAYJDVTMO-LJQANCHMSA-N	401.432	5.038	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2sc3ccc(C#N)cc3c2C)c(C)c1	796624761	SZNLEPKFWUOOMW-MRXNPFEDSA-N	406.507	5.191	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)CC1	799387594	LQTBQBFGUZJPPD-NRXISQOPSA-N	412.386	5.424	30	20	HKED	
C/C(=C\c1cccc(C(F)(F)F)c1)CNc1ccc(N2CCC(O)CC2)c(C#N)c1	808390701	APTDSOPUEKXNOE-LFIBNONCSA-N	415.459	5.054	30	20	HKED	
CCN(c1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1)C(C)C	812454412	GSKIOFFZQNPXSU-OAQYLSRUSA-N	418.566	5.599	30	20	HKED	
CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2ccc(Oc3ccccc3)nc2)no1	904455318	USHYHDNKOOBRLY-UHFFFAOYSA-N	400.413	5.261	30	20	HKED	
COc1cccc(-c2nc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)cs2)c1	915849013	LUWKPSLYEPIZPV-WOJGMQOQSA-N	421.547	5.327	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccco2)cc1	916208726	RCAKKKWDICTHBB-NOZRDPDXSA-N	407.473	5.846	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cc1	916882672	JHXBQGHXUKYUAG-ZMOVQZPESA-N	424.884	5.568	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)c1	916897817	OSPJSOAABHDCIC-WHWKNOJMSA-N	406.791	5.028	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	917026832	PJDCSECCGSIZFV-DOMZBBRYSA-N	417.317	5.761	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Br)o1)c1nc2cc(Cl)ccc2s1	917043689	MIEVSXNOJXPFSZ-MORRKMRCSA-N	407.676	5.195	30	20	HKED	
COc1cc(/C=C2/CCc3ccccc3C2=O)cc(Br)c1OC(F)F	917143916	XETXGQFSRBRHAI-JYRVWZFOSA-N	409.226	5.272	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(OCC(C)C)CC2)c1=S	917488780	UVQYIVMIMFWTCD-UHFFFAOYSA-N	421.010	5.015	30	20	HKED	
O=C(OCC(=O)c1ccc(F)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	919931893	BORHLMGUCDJFDI-UHFFFAOYSA-N	412.232	5.042	30	20	HKED	
C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920143729	ZOIUCXGYQXAJNV-UGSOOPFHSA-N	423.950	5.692	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	920265223	KEPTYWXUORACBK-FQEVSTJZSA-N	405.523	5.654	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	920803772	BYPDFGDNQWUGPN-MRXNPFEDSA-N	424.472	5.490	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccc2c(c1)CCCC2)C(C)C	1538766922	WSYYBKKZWIQQLP-DEOSSOPVSA-N	406.526	5.028	30	20	HKED	
CCCCC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1	1789578190	DFCLLJKFGXEERF-VKELSTCCSA-N	423.557	5.049	30	20	HKED	
C=CCN(C(=O)c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	18085171	OVXXXISJODKZAV-UHFFFAOYSA-N	424.740	5.998	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c(C(F)(F)F)c1	22311910	LMDZAJCRAVDSFY-UHFFFAOYSA-N	422.406	5.316	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1sc2ccccc2c1C)[n+]1ccc(CC)cc1	27310226	OQRXFMWZCCWWIM-UHFFFAOYSA-O	409.600	5.164	30	20	HKED	
Cc1nn(C)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12	51155707	UISBQWFKRDKNID-AWEZNQCLSA-N	412.927	5.210	30	20	HKED	
Cc1nc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)sc1SCC#N	53649294	GJHXAYKROCXZKV-UHFFFAOYSA-N	412.521	5.189	30	20	HKED	
CC(C)n1cc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1	58465469	STFPVGZJGGUIGH-VQHVLOKHSA-N	411.845	5.714	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COCc2ccco2)c1	63392172	SDNRVBXNFLLEMV-UHFFFAOYSA-N	401.466	5.088	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1	63960653	FQTWVCBNKLHEKL-UHFFFAOYSA-N	421.566	5.002	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ncc(-c2ccc(OC)cc2)o1	65279881	GGAFUYHABAIUMI-UHFFFAOYSA-N	418.522	5.011	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C3(c4cccc(F)c4)CCOCC3)cc2)cc1	66037185	KNKBXQPEEOMCTR-UHFFFAOYSA-N	416.452	5.177	30	20	HKED	
C=CCn1c(SCC(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccccc1F	216507920	CINMRXKARDHITF-FQEVSTJZSA-N	424.545	5.020	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](c2ccccc2)CC1	303425258	ZLNXMALXDOOIBE-TZIWHRDSSA-N	407.583	5.147	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	429694588	FAVVEJGEMAEIQC-CYBMUJFWSA-N	404.388	5.690	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)s1	430615435	BZRXYCRSZXVFNH-SFHVURJKSA-N	406.482	5.301	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	432071626	KVXXMFCQISFMTE-QANKJYHBSA-N	417.481	5.360	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2cccc(Cl)c2)CC1	432098374	NOJMLWSDONZRTN-INIZCTEOSA-N	413.974	6.003	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)s1	437843388	ZGINEHYQOGDSDZ-MRXNPFEDSA-N	420.538	5.903	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](COCc2ccccc2)C1	438048092	IMVNBZNUUABGCZ-ICSRJNTNSA-N	409.555	5.151	30	20	HKED	
CCCc1c(NC(=O)Nc2cccc(Cl)c2OC)cnn1-c1cccc(C#N)c1	439234135	NBVJRGFZWCYCHA-UHFFFAOYSA-N	409.877	5.002	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1	439307523	XDRGSZKGNOWWPY-QFIPXVFZSA-N	413.481	5.497	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc4ccsc34)c2)cc1	439402984	KCGKIXSDZJTLEO-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
C=CCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1	441545733	SGSCYIXRINNADS-IEBWSBKVSA-N	424.507	5.114	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1ccccc1C	460798554	MJMLDCNABJZGQL-QHCPKHFHSA-N	402.542	5.221	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC(c3ccccc3F)C2)cc1Cl	463013100	RLJIHFPAWXMSDE-UHFFFAOYSA-N	406.844	5.383	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	464467558	KTOHDVZUNBSHQG-FQEVSTJZSA-N	421.378	5.041	30	20	HKED	
C=CC[C@H](CC)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	466379026	UWPYJTYONZFWAO-HNNXBMFYSA-N	423.410	5.573	30	20	HKED	
C=CC[C@H](CC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	466543354	UAXRIOVBSWUANY-XUJKWMDPSA-N	411.430	5.580	30	20	HKED	
C[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	467392129	UWTGSTXRGBKJAK-LBPRGKRZSA-N	411.811	5.253	30	20	HKED	
C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)c1nc(C(F)(F)F)cs1	467739444	FYXNKGNVYDRTKM-VIFPVBQESA-N	416.362	5.752	30	20	HKED	
CCc1nc2c(s1)[C@H](N(C)C(=O)c1cn(CCCC#N)c3ccccc13)CCC2	469581034	REMQWPDCFOLPNR-HXUWFJFHSA-N	406.555	5.114	30	20	HKED	
CC[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C)cc1	469954493	VMRILPDJIQNFCE-IBGZPJMESA-N	403.526	5.100	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(Br)c(C(F)(F)F)c3)o2)cc1	471612588	UDWIUYGAFATPRH-UHFFFAOYSA-N	423.192	5.002	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1Br	472035612	SPPNHPMALQTIHZ-AEFFLSMTSA-N	403.707	5.014	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	475311073	GTCHUAUCAFCLNP-UHFFFAOYSA-N	406.894	5.818	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	475492329	KVYWIGOXCYLVGA-UHFFFAOYSA-N	423.900	5.538	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)cs1	479923278	LWQOMBWSAHMEKA-MRXNPFEDSA-N	413.550	5.242	30	20	HKED	
C[C@H](NCC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1	481025107	PWRVZAWNVYXQKW-IBGZPJMESA-N	403.570	5.161	30	20	HKED	
CC(C)(CC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	481070960	MVSKYQXVOOOVJH-NSHDSACASA-N	409.292	5.794	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1	482162640	HJXLUHFAGNHXMF-UHFFFAOYSA-N	409.555	5.013	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)c1cnc2ccccc2n1	483230909	QKBNYBGCOMOLLZ-QGZVFWFLSA-N	417.827	5.705	30	20	HKED	
CC(C)n1nccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	483438960	LCPYEPBVZHEXAK-ZDUSSCGKSA-N	405.310	5.384	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	484251005	GCTQVBZJGMZVTN-HAJOTIDUSA-N	424.429	5.117	30	20	HKED	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	485258758	ICCAFUBQZCKCRN-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	487367199	BIHOGZWAZZJFQH-QFIPXVFZSA-N	405.542	5.155	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	488015145	QLQPOWJJCZGJPJ-IBGZPJMESA-N	402.469	5.002	30	20	HKED	
Cc1ccc2ncc(C#N)c(OCc3nnc(-c4c(Cl)cccc4Cl)o3)c2c1	488294903	LHCXALAACWEBSJ-UHFFFAOYSA-N	411.248	5.351	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(F)c(C#N)c3)n2Cc2ccco2)cc1	489406208	OJAUOCUKDJUJLL-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl	490505877	SBYMKDVMVHUTRF-HNNXBMFYSA-N	423.925	5.002	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](c2ccccc2C)C(C)C)cc1	490737948	YLXVWOAZUGTVCH-XMMPIXPASA-N	419.569	5.670	30	20	HKED	
C[C@H](COc1cccc(F)c1)NC(=O)c1ccccc1Sc1ccccc1C#N	490744363	KDKJJLQNZSILQB-MRXNPFEDSA-N	406.482	5.046	30	20	HKED	
CCCc1c(NC(=O)N(C)C/C(C)=C\c2ccccc2)cnn1-c1cccc(C#N)c1	494938271	OCHNZYUWIGUBLE-RGEXLXHISA-N	413.525	5.264	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Oc2ccncc2)c1	496153043	YXCFNGFAYATJDY-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
CN(C)CCCN(CCC#N)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	499336177	QDOQGARKLWPRJR-UHFFFAOYSA-N	410.370	5.029	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)oc2ccc(Br)cc12	499860604	INAVTQZGQQLWIS-OAHLLOKOSA-N	403.663	5.152	30	20	HKED	
C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccccc1SC[C@H](C)C#N	499896905	SFRNTABJPRBKMQ-AQNXPRMDSA-N	422.598	5.065	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1	499897390	UFKFPMSUXBHWQU-ZHRRBRCNSA-N	420.513	5.384	30	20	HKED	
Cc1onc(CC(=O)N(C)[C@@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)c1C#N	500108491	GWHBMXMHYYTHAF-KRWDZBQOSA-N	417.509	5.071	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	500452294	RMASMQJCRXQTTG-AZUAARDMSA-N	422.937	5.848	30	20	HKED	
CCC[C@H]1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	503152507	ODSDLFVZWKXKEP-HIFRSBDPSA-N	400.466	5.245	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1Br)c1cccc(C(F)(F)F)c1	505976714	NUGWEXXCBCGVGS-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc(-c2ccccc2)ccc1C#N	510182065	BTOAHAQJTCOITL-HXUWFJFHSA-N	419.575	5.310	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	515098114	GYJCWDWWZSXBPJ-UHFFFAOYSA-N	413.502	5.202	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2cccc(C)c2)c1C)c1nc(-c2ccccc2)cs1	516463913	BHWAYCQNRTWNJD-UHFFFAOYSA-N	414.534	5.445	30	20	HKED	
C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	517355701	WTMKWYLRIZDEDH-OSPHWJPCSA-N	416.452	5.092	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)cc1	518494724	WPZZYNVVOTZAJJ-JOCHJYFZSA-N	420.509	5.214	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc(C)nc21	519424940	MOYHXAZNVIWVOF-ZBFHGGJFSA-N	407.543	5.215	30	20	HKED	
COc1cc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1C	519434381	XHPJCMYQNSVXMV-UHFFFAOYSA-N	408.445	5.209	30	20	HKED	
Cc1nc2ccccc2nc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N	520832751	QYTGHXBQQAXETQ-HNNXBMFYSA-N	422.579	5.204	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	522306478	UABDMTITEPXSQT-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc(C)nc21	523379476	CKPUFZMVLRVLEG-OCCSQVGLSA-N	407.543	5.021	30	20	HKED	
CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	523422171	FRYHATNPGRFTKF-RHSMWYFYSA-N	415.588	5.135	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2)n1	523487128	JCORUUFFDBAVTI-KRWDZBQOSA-N	402.306	5.420	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3cc(C#N)ccc3C)s2)cc1	530842578	CWYTTZUHWCPUOU-QGZVFWFLSA-N	404.539	5.832	30	20	HKED	
COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	535611840	HWQBXMVBXSZDSC-MSOLQXFVSA-N	411.571	5.432	30	20	HKED	
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	537328623	DRDMHJIKCQMFJG-CRAIPNDOSA-N	408.370	5.264	30	20	HKED	
C=CCC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C(F)(F)F)cc1	538231250	FHGBAJUODQWDGE-GOSISDBHSA-N	405.420	5.023	30	20	HKED	
N#C[C@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc2ccccc2n1C(F)F	538483989	LKIAURNIGCNBOP-GFCCVEGCSA-N	412.783	5.230	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1	543335533	IHFLMVIMVPXCAY-LJQANCHMSA-N	420.516	5.532	30	20	HKED	
Cn1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C1CCC1	550633424	RMYSVAPQHSTUHH-UHFFFAOYSA-N	403.457	5.135	30	20	HKED	
CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1ccc(C)cc1)c1cccnc1	556061779	SYLMYNSZXWMRLA-VWLOTQADSA-N	422.488	5.168	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)CCC1(F)F	574003486	ZEKGXNOQOFXYEN-VIFPVBQESA-N	420.300	5.156	30	20	HKED	
N#Cc1cccc(CCNC(=O)c2oc3ccccc3c2CSc2cccs2)c1	574418662	HHSKLGVUIVHJSY-UHFFFAOYSA-N	418.543	5.631	30	20	HKED	
N#Cc1ccc(N2CCC(NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)CC2)cc1	586788438	WGXCUTBDKZOQLJ-GJZGRUSLSA-N	419.413	5.026	30	20	HKED	
COc1cc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1OCc1cccc(C#N)c1	588204731	BQCFOBCWXAFGHF-YADARESESA-N	413.521	5.124	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3c(C)noc3n2)cc1	590783408	UGXDCBNTPYHPRZ-UHFFFAOYSA-N	402.479	5.309	30	20	HKED	
Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2F)n1	603989521	BGPIMXUOMJDIIN-UHFFFAOYSA-N	410.452	5.419	30	20	HKED	
CC(C)c1ccc(CSc2nnc(S[C@H](C#N)Cc3ccccc3)s2)cc1	604071475	NNKZHCCXEGTIMV-IBGZPJMESA-N	411.621	6.181	30	20	HKED	
COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1SC	609125928	XIJVYUMMTVBZBI-UHFFFAOYSA-N	424.503	5.039	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc2ccccc12	609384876	NEUHJSJQLNJITH-SFHVURJKSA-N	403.551	5.699	30	20	HKED	
COc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1S[C@@H](C)CC#N	609430516	JZRPMGCALPYSTR-AWEZNQCLSA-N	403.935	5.184	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccccc3S[C@@H](C)CC#N)[nH]c2c1	609434993	JMWVUUKBRIIBHQ-JXFKEZNVSA-N	419.554	5.635	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCSC[C@H]3c3ccccc3)cn2)c1	609682152	JWEGVIJCYGZODP-NRFANRHFSA-N	416.506	5.068	30	20	HKED	
COc1cc(CSc2nc3ccccc3o2)ccc1OCc1cccc(C#N)c1	609721955	JLSMTVCFVNTNNM-UHFFFAOYSA-N	402.475	5.579	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)cc2)c1	609930208	WQYSVWMMSZTEEU-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2SCCC#N)c1	610174969	QAXDUDCZFJXONJ-UHFFFAOYSA-N	415.946	5.583	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1	610197428	LFKLYNYRYRZKIW-JOCHJYFZSA-N	419.569	5.097	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1	610355821	DHJCOHUKYUSXLV-RBUKOAKNSA-N	413.521	5.697	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	610434105	ZOHKJRSQKUFWBS-UHFFFAOYSA-N	417.412	5.352	30	20	HKED	
Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cn(Cc2ccccc2)c2ccccc12	613108129	HTDLERGQZJQYMK-UHFFFAOYSA-N	418.504	5.063	30	20	HKED	
N#CCCN(C(=O)c1cccc(Oc2nccs2)c1)C12CC3CC(CC(C3)C1)C2	614424892	NPZSYSMBQXXWQS-UHFFFAOYSA-N	407.539	5.260	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1c(F)c(F)cc(F)c1F	674653864	QEKZEVPHEFWUFY-VIFPVBQESA-N	408.317	5.164	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	679236631	AIYZKCLSKIYIJN-KRWDZBQOSA-N	413.433	5.589	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2cnc3ccccc32)cc1)c1nc2cc(F)ccc2s1	679237928	LETQEMIXGHLZCE-QGZVFWFLSA-N	412.449	5.264	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=NNc2ccc(C(F)(F)F)cn2)CCC3)cc1	727776760	FJKVYNAZBPHKBK-UHFFFAOYSA-N	418.444	5.385	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1	731197984	BQUDIRBIYHBNOV-FQEVSTJZSA-N	407.514	5.326	30	20	HKED	
CON=Cc1ccc(C(=O)N(Cc2cc(C)nc3ccccc23)C2CCCC2)cc1	732096638	VEXWEQYKUQLFDL-UHFFFAOYSA-N	401.510	5.109	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cs1	736827184	XUZTWXKGVUTYHZ-MRXNPFEDSA-N	422.506	5.456	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cc(F)c(Cl)nc3Cl)c2)s1	739598910	LBBCLQPEXUSTDZ-UHFFFAOYSA-N	406.269	5.058	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3cccc(OCC#N)c3)s2)cc1	740438034	YQZVOMGPXDXMFI-KRWDZBQOSA-N	420.538	5.554	30	20	HKED	
CCCN(Cc1ccccc1O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740483578	CLHYOSMAXGSXBO-UHFFFAOYSA-N	405.523	5.114	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1	742649860	RTQHMKUXRXEANO-QTNMRXCUSA-N	404.457	5.999	30	20	HKED	
Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N(C)C)cc1	743294620	QRQBEQIWWHJXPE-LOSJGSFVSA-N	412.537	5.075	30	20	HKED	
CCCOc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1Cl	743473366	PAGQFWLMBYSEEM-OAHLLOKOSA-N	403.885	5.015	30	20	HKED	
CC[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1	745176787	GOXLOCNYXYHHNV-NSHDSACASA-N	404.870	5.125	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cn1ncn([C@H](C)c2ccccc2)c1=S	746055832	HHMYZKLMAXKELQ-LJQANCHMSA-N	405.571	5.011	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N=c3cc[nH]cc3)cc2)cc1	746125181	CQPNYXIKDYMLJV-RUZDIDTESA-N	404.473	5.155	30	20	HKED	
COc1cc(C=NOCc2coc(-c3ccc(Cl)cc3)n2)cc(Cl)c1OC	749348099	NIAHQBNWDRPAET-UHFFFAOYSA-N	407.253	5.216	30	20	HKED	
CC(C)c1ccc(Nc2nn(CN(CCC#N)CC(F)(F)F)c(=S)s2)cc1	749956220	XKGDACFDPVESTJ-UHFFFAOYSA-N	415.510	5.277	30	20	HKED	
CCOc1c(OC)cc(/C=C/C(=O)c2ccc(N3CCCCC3)c(F)c2)cc1OC	750902289	JKEMKSDTLZDIID-DHZHZOJOSA-N	413.489	5.128	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc(Cl)ccc2F)cc1Cl	758436207	QONVCOXMNYXJBG-HNNXBMFYSA-N	400.240	5.435	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccncc1	765338217	XQZLANWEPWZNMV-MRXNPFEDSA-N	418.526	5.128	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1cnc(C2CCCC2)s1)CCCCC3	767762141	SPWIWHCFVKRMKI-UHFFFAOYSA-N	412.584	5.032	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)nc2ccccc21	769413466	RFVSXKWZCFLBMV-TZIWHRDSSA-N	402.542	5.288	30	20	HKED	
C=C(C)CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1	775102553	DDSFQLHARMOJTI-STZFKDTASA-N	408.523	5.147	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cc(Br)cnc1Br)c1ccccc1	777738589	WZFQYAABSJCWOU-AWEZNQCLSA-N	424.136	5.295	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(COC(=O)/C=C/c2ccccc2C#N)on1	778094095	FJZSOXZZACYRBF-ACCUITESSA-N	410.429	5.132	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1	778210152	FZSHMRIHAFAZQN-JXFKEZNVSA-N	400.906	5.191	30	20	HKED	
N#Cc1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1	781450333	HDJPCTMQBRWTLY-OAHLLOKOSA-N	411.408	5.095	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1	786131565	IRULWDKHHKWPDF-CYFREDJKSA-N	411.505	5.351	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1O	786958583	ICEYNPWKZMFMPC-ZDUSSCGKSA-N	418.324	5.455	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(SC(F)F)cc1	786960830	WRTKJBWIWKHVQB-OAHLLOKOSA-N	415.509	5.757	30	20	HKED	
C=CCn1c(SCOCC(F)(F)F)nc2scc(-c3cccs3)c2c1=O	788099201	XVRZYWBSCRHGOH-UHFFFAOYSA-N	418.487	5.001	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)C[C@@H](CC#N)c1ccccc1	795986203	PCEAGQYCGLNKAC-HXUWFJFHSA-N	407.901	5.024	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cc3c(C)nn(C)c3s2)ccc1OCC(F)(F)F	806578857	MUMZPMXDLASWGD-ALCCZGGFSA-N	424.444	5.179	30	20	HKED	
O=C(/C=C/c1nc2ccc(Br)cc2s1)c1ccc(Br)nc1	811695844	FIUKLCZWOSHULN-GQCTYLIASA-N	424.117	5.112	30	20	HKED	
C#Cc1ccccc1CC(=O)N(CCC)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	813027760	YVYQJYDJGDHTIR-AREMUKBSSA-N	400.497	5.081	30	20	HKED	
N#Cc1ccc(F)c(CN[C@H](c2ccc(F)cc2)c2ccc(Br)o2)c1	815595671	XVASVPXFLBOMGA-LJQANCHMSA-N	403.226	5.071	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(O)Cc1ccc(F)cc1	901374031	CCUXSKCITSJHGG-ZDUSSCGKSA-N	420.893	5.174	30	20	HKED	
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2c(Cl)cccc2Cl)no1	904306798	ZOGULQSZKSPZAR-LBPRGKRZSA-N	418.708	5.752	30	20	HKED	
Cc1cc(C#N)cc(C)c1Cc1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1	904636544	SQTUTSBVLGBHMR-UHFFFAOYSA-N	404.470	5.163	30	20	HKED	
Cc1ccc(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	914706798	JIAMBNSNWJKXOA-NXEZZACHSA-N	402.379	5.330	30	20	HKED	
COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916628132	NAWSLJCSUAAOGX-HXUWFJFHSA-N	406.507	5.163	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C	916888282	UONLMNDSNVIYKL-ZONXLDJSSA-N	414.477	5.287	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C	916903597	PQIVIRBIVJGZHK-IBGZPJMESA-N	417.534	5.205	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1	916907647	ZOUIRNOLARGVMC-HSZRJFAPSA-N	424.500	5.248	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccc(OC)c(Cl)c2)cc1	916947709	ANBFKRUWCOBYLQ-HNAYVOBHSA-N	412.917	5.142	30	20	HKED	
Cc1cc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1C(C)C	917039590	APCBIKGOBDBDSQ-CRAIPNDOSA-N	411.452	5.507	30	20	HKED	
Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(COc2ccccc2C#N)o1	917327395	JAGUGHMFNFAKIW-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H](C)c1cc2ccccc2o1	920087300	KCOAZGVNRVTAKR-NVXWUHKLSA-N	403.507	5.302	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4)CCC3)cc2)C1	1785807917	VFQNOGPEZMQDGU-UHFFFAOYSA-N	400.478	5.147	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccc(C)cc2s1	1847263769	OUEPBIJZFAJKJL-OALUTQOASA-N	410.583	5.018	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccccc2)cc1	10170509	ZVEQUNTZVOSYRJ-UHFFFAOYSA-O	417.598	5.885	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1	16102934	XHMPNIUEEONBPW-UHFFFAOYSA-N	409.533	5.141	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1	16407059	GIJJZQPUWHFPBJ-RIYZIHGNSA-N	419.452	5.138	30	20	HKED	
O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F	22730058	FFNWFOLSMJGSHX-UHFFFAOYSA-O	423.508	5.182	30	20	HKED	
C=CCn1c(SCc2csc(C(C)C)n2)nc2sc3c(c2c1=O)CCC3	36844250	ZPMGDIOUVFYVOJ-UHFFFAOYSA-N	403.598	5.005	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)c2)c1	55772202	QMGMTIYNLBAXDI-RTBURBONSA-N	415.415	5.118	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	64715347	HOTLHQWBQFBUJB-NSHDSACASA-N	403.479	5.296	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1	111018913	QYTRYSCMEATUMK-MRXNPFEDSA-N	404.432	5.545	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1cccc(OCCCC#N)c1	237887428	XDQCDCOWPGXZRY-UHFFFAOYSA-N	408.933	5.496	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)nc2ccccc21	303455528	MCGQUBRYVSGZAY-QGZVFWFLSA-N	403.388	5.134	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1Cl	428184214	JEQFJNMAEHRYTM-MRXNPFEDSA-N	400.787	5.665	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1-c1ccccc1	428336119	GWEMFCYSVGFDKF-UHFFFAOYSA-N	404.473	5.287	30	20	HKED	
Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc(C)c1Br	429032352	WVZULPHQIKWPSF-UHFFFAOYSA-N	423.314	5.095	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	437605004	RQDCOKORHXXZMJ-LEWJYISDSA-N	417.509	5.422	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	438063611	IBPQJFNLJBTYPU-RCZSKKKRSA-N	407.583	6.047	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)cc2)n1	439311853	ZQBOMUBYRXMRCH-LJQANCHMSA-N	408.552	5.769	30	20	HKED	
COc1ccccc1NC(=O)c1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1	439550824	NUJBKISFUSZGEQ-UHFFFAOYSA-N	423.419	5.033	30	20	HKED	
COCc1nc(CNc2ccc(C(F)(F)F)cc2C#N)c(-c2ccccc2)s1	440639126	OXMILVRYSPPKNK-UHFFFAOYSA-N	403.429	5.459	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(CCC(F)(F)F)c3)cc2)nc1	440702601	DYZHBYSTYZHVHY-UHFFFAOYSA-N	411.383	5.493	30	20	HKED	
FC(F)COc1cnccc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	441338549	FXTSKRLUKZCXKP-UHFFFAOYSA-N	414.296	5.053	30	20	HKED	
C=CCC[C@@H](NC(=O)Cc1nc(-c2ccco2)oc1C)c1ccc(C(F)(F)F)cc1	441583612	XCJFPYKXIRLBDV-QGZVFWFLSA-N	418.415	5.628	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)CC1	442059250	FNUFJOPWSUHNOJ-UHFFFAOYSA-N	418.266	5.148	30	20	HKED	
CCc1ncsc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	442060750	RKCUWCJWNLULRG-LLVKDONJSA-N	408.335	5.626	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	443924652	GNUPCUSOJCTZJA-ZDUSSCGKSA-N	408.433	5.020	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c2ccccc21	444334888	IUBCURRWPLOXEV-GOSISDBHSA-N	421.928	5.282	30	20	HKED	
CC[C@@H](N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21)c1ccc(C#N)cc1	447536738	POSUXOVEGLYMDF-RTWAWAEBSA-N	403.551	5.809	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1Cl	462138770	JHIBHVQAPFGUAV-MWTRTKDXSA-N	404.897	5.230	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC(c4ccccc4F)C3)cc2F)c1	463752103	RWFZSEOWXUUXIF-UHFFFAOYSA-N	419.431	5.047	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)c1	464057595	YWTRCPSTSJLXQT-NRFANRHFSA-N	410.901	5.501	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N	464457827	XMXBRAQKTHENTG-INIZCTEOSA-N	402.498	5.102	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)c1ccc(C2(C#N)CC2)cc1	464710832	LEKZSXWOBRJMME-UHFFFAOYSA-N	401.329	5.369	30	20	HKED	
N#CCCCn1cc(C(=O)N(CCc2ccccc2)Cc2cccnc2)c2ccccc21	469103840	WVFOKNZOKZFEEK-UHFFFAOYSA-N	422.532	5.225	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C	471251779	SGUNWROBFKQWNQ-OAQYLSRUSA-N	419.569	5.620	30	20	HKED	
N#CCCn1cc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)c(-c2ccccc2)n1	478222756	CPCRDTVLLVWXGT-DEOSSOPVSA-N	400.501	5.329	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(F)c(F)c1	481004439	JVTAIXFRSIFKRL-QHCPKHFHSA-N	420.463	5.319	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c(F)c1	481407930	ZYXMEHJEXDXNPP-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
C=C(C)[C@H](N[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)c(F)c1	481630439	WNLZSYAMJFKWMR-VOJFVSQTSA-N	424.278	6.290	30	20	HKED	
CN(C(=O)c1cc(F)c(Br)cc1Cl)c1cc(Cl)ccc1C#N	483771141	CBCFBFSOPGNCKS-UHFFFAOYSA-N	402.050	5.043	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ncnn3CC(C)C)n2)o1	484631686	UMACSNWGDWLDGA-UHFFFAOYSA-N	421.448	5.080	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	484998680	QRFCKMPAHJHNHU-UHFFFAOYSA-N	402.281	5.195	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCc3ccc4ccccc4n3)c2)c1	485810160	FULADDVPBDOIAL-UHFFFAOYSA-N	407.473	5.257	30	20	HKED	
C=CCn1cccc1C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	490037736	JQUGCXKPIOVCMU-UHFFFAOYSA-N	401.388	5.157	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(F)cc2Cl)cc1	495035980	FMGHPDROECMPSD-UHFFFAOYSA-N	408.860	5.305	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c(Cl)c1	501403552	DIMZSTAGIIJUTM-LJQANCHMSA-N	421.888	5.411	30	20	HKED	
C[C@H](Sc1nc(N)c(C#N)cc1C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	504563617	OMSZNBILLBHAJE-QMMMGPOBSA-N	416.350	5.298	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1	504785375	JJDKUSSWKFKZDA-HXUWFJFHSA-N	406.574	5.483	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	505170027	YQPXWNXSUUTRNN-UHFFFAOYSA-N	417.509	5.016	30	20	HKED	
O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(F)cc1C(F)(F)F	505429730	SWMNBLJYZAHDMN-ZDUSSCGKSA-N	401.228	5.156	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1	505982429	SKXOQRVBTILVHQ-HXUWFJFHSA-N	424.287	5.240	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1C#N	508084925	FXPPMDQJYLWPRS-UHFFFAOYSA-N	424.287	5.394	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510193006	WNSCXYVCCUZEQZ-INIZCTEOSA-N	403.507	5.138	30	20	HKED	
Cc1cc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)s1	511512129	JUZMSMIJDOGSIL-HNNXBMFYSA-N	418.522	5.372	30	20	HKED	
O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1C(F)(F)F	511725011	QEQMDMMTNYNXML-ZDUSSCGKSA-N	413.264	5.340	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccc(NC(=O)Cc2ccccc2F)c1	512662494	XVUPHMASNFFLFV-IAGOWNOFSA-N	419.475	5.429	30	20	HKED	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(Cl)c1Cl	512713643	FCXJLMKSOAEUPK-ZDUSSCGKSA-N	420.315	5.098	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)N(C)Cc2cccc(C#N)c2)cc1	514508280	GBKTZELKLUQSHJ-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccnc2C(F)(F)F)cc1Cl	514791917	WIPRMMSAALIGTR-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CC(C)C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	515625675	ZSBJBKWFMMSPIE-UHFFFAOYSA-N	415.518	5.232	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1	516257388	HWCFCXLQWIFKLW-QHCPKHFHSA-N	406.551	5.552	30	20	HKED	
CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1	518155892	OJGJUTDSTOHKIJ-HTAPYJJXSA-N	423.582	5.171	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OC2CCCCC2)cc1	518164932	JCKXCVOGRUUNCS-GOSISDBHSA-N	423.582	5.972	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(F)ccc2s1)c1nc(-c2c(F)cccc2F)cs1	520431451	NCMVQJUXVUJGIY-LBPRGKRZSA-N	414.433	5.932	30	20	HKED	
N#Cc1cccc(/C=C/c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1	521904249	CDTYQSMEZIFMDE-VAWYXSNFSA-N	403.445	5.177	30	20	HKED	
C=CC[C@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	522643273	NUNPMWZHPVLKFQ-XOAFGZPJSA-N	407.495	5.216	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3sc4c(c3C#N)CCC4)c12	524317147	UXPYRQSKXFHEMV-UHFFFAOYSA-N	418.478	5.280	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	524831773	GLOODUZBLFROQA-PXNSSMCTSA-N	411.571	6.385	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1	530876898	RWVNDJIUMZWEAJ-GOSISDBHSA-N	417.412	5.012	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1	532701834	ZOLGRXLZCSSXCN-HJPURHCSSA-N	411.546	5.289	30	20	HKED	
Clc1ccccc1C#CCSc1nnc(-c2cccnc2)n1Cc1ccccc1	533009461	KZMDTIGPXPWMMW-UHFFFAOYSA-N	416.937	5.186	30	20	HKED	
N#CCC[C@@H](NC(=O)CCSc1ccccc1Br)c1ccccc1	533051637	VITMIWYXPWBBEI-QGZVFWFLSA-N	403.345	5.093	30	20	HKED	
CC[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1c(C)noc1C	533831982	ZMBVZSFNQZVUSW-FQEVSTJZSA-N	405.523	5.337	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(Br)cc3cccnc23)c1C#N	534003972	BSJCJRZAKQMKJA-UHFFFAOYSA-N	400.301	5.054	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	535175089	SBJZDOKEHCUZDQ-MRXNPFEDSA-N	420.538	5.467	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	535624318	MXCNOHDAFSZBNP-UHFFFAOYSA-N	405.885	5.450	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1	536666258	JZQILPCHJFIEPU-FTJBHMTQSA-N	419.532	5.206	30	20	HKED	
CCc1cccc(CC)c1NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541086669	GCGDVIVMHLRXQB-IBGZPJMESA-N	411.549	5.639	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)N[C@@H](c1cccc(F)c1F)C(F)(F)F	541453047	WAKCGOKTRNPVLU-ZDUSSCGKSA-N	400.681	5.322	30	20	HKED	
N#Cc1cc(NC(=O)CC2CCC(C(F)(F)F)CC2)ccc1OCC(F)(F)F	542166855	FYLTVVDJWBJBQN-UHFFFAOYSA-N	408.342	5.197	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1	542562908	NUHCYNPCLCLWLI-UHFFFAOYSA-N	416.127	5.358	30	20	HKED	
CCN(CC)CCCC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	543880979	XEOBNBABUNVJFO-IBGZPJMESA-N	416.635	5.447	30	20	HKED	
Cc1nc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)o1	545342306	SXKCCQQPMRUVCS-HSZRJFAPSA-N	423.472	5.224	30	20	HKED	
Cc1ccc(C(C)(C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1	546834853	DBYFRMFCPCVEDP-UHFFFAOYSA-N	414.509	5.092	30	20	HKED	
Cc1nc(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)sc1SCC#N	549998630	UUODJONPBPZNCL-UHFFFAOYSA-N	422.963	5.079	30	20	HKED	
Cn1ncc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1-c1ccccc1	553820975	CUIONXOTDQMTHL-UHFFFAOYSA-N	410.502	5.362	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1oc2ccccc2c1CSc1ccccc1F	554099800	SOFIGPVZPBWURT-UHFFFAOYSA-N	410.514	5.924	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)Cc1c(F)cccc1C#N	560633525	FMABYBXWGXATMA-UHFFFAOYSA-N	421.859	5.093	30	20	HKED	
N#CCCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccc(F)cc1	562342782	NLCYDJQPSOEMHW-UHFFFAOYSA-N	413.905	5.016	30	20	HKED	
N#CCCN(C(=O)c1cc(C(F)(F)F)ccc1Br)c1ccc(F)cc1	562413712	VIHFRFKBIDNEJM-UHFFFAOYSA-N	415.184	5.167	30	20	HKED	
N#Cc1ccc(CNc2cccc(COCC(F)(F)C(F)F)c2)c(C(F)(F)F)c1	563315428	GZVNWXWKJCIJSU-UHFFFAOYSA-N	420.328	5.606	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1cccc(F)c1	578750588	QFBCODLNMPDMGK-QMHKHESXSA-N	416.456	5.500	30	20	HKED	
CCCc1nc(C)c(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)o1	581506290	ASWVIVMBRFIMFO-UHFFFAOYSA-N	409.873	5.183	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)c1ccccc1	590122494	ZOXKUZPGKVIGIL-MRXNPFEDSA-N	424.701	5.798	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N(Cc1ccncc1)Cc1cccnc1	603562553	UACIDKSCKDXNNG-UHFFFAOYSA-N	424.529	5.172	30	20	HKED	
C[C@H](OCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603758800	IUWXSWRQOXTHDZ-JTSKRJEESA-N	404.897	5.539	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1	604929872	ZSBIBCHVACQULY-QGZVFWFLSA-N	413.820	5.635	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1	608918881	APKACWXAGYQKRX-UHFFFAOYSA-N	415.459	5.252	30	20	HKED	
C[C@H](CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	608993810	AKTRFOCDQMNDLZ-HXUWFJFHSA-N	413.521	5.599	30	20	HKED	
CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](C)c1ccccc1Br	609216174	CWGLEWQOPJFORD-MRXNPFEDSA-N	424.342	5.541	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	609379002	MKOUTAJQOZXCMA-LLVKDONJSA-N	401.340	5.046	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1	609434420	HVJLMMBDKZMADZ-UHFFFAOYSA-N	406.511	5.426	30	20	HKED	
C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	609576266	UIHYLRZMOBINRU-DZGCQCFKSA-N	400.466	5.245	30	20	HKED	
COc1cc(CSc2nc(C)cc(C)c2C#N)ccc1OCc1cccc(C#N)c1	609721969	KWSBKDSEBKGNQF-UHFFFAOYSA-N	415.518	5.322	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N	609930017	UFZFFBASEUWAJJ-AVYPCKFXSA-N	417.962	5.489	30	20	HKED	
C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1	609994828	YYWOSUJICHVRAD-IRLDBZIGSA-N	416.569	5.028	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1Br	610240647	JJNHYVFWBBYGHG-INMHGKMJSA-N	424.125	5.240	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1F	610313469	QPJJXXPMKUYCOE-UHFFFAOYSA-N	416.387	5.067	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)nc1)c1nc2cc(C(F)(F)F)ccc2s1	613403233	CCBBMLMIPRLOBV-SNVBAGLBSA-N	415.318	5.219	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	613919029	MFUYBUHGSNJKIV-GFCCVEGCSA-N	416.543	5.218	30	20	HKED	
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCc3ccc(C#N)cc3)nc12	619130608	NTOQZQJUTUSFDI-UHFFFAOYSA-N	411.530	5.642	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2ccccc2)cs1	622977741	WKLKGWYKTGRIIO-HNNXBMFYSA-N	421.934	6.077	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccccc2)cs1	642281754	PQUYGYLZUKTQIB-INIZCTEOSA-N	421.909	5.080	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	679617732	YDCNDAXKTRICMD-SCDSUCTJSA-N	400.338	5.192	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4ccccc4)CC3)cn2)c1	727589043	FUNPWEGXNRGGJS-NRFANRHFSA-N	412.493	5.547	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C(\C)c1ccccc1Cl	727627636	OGGWOMKXMGUCIC-SAAWKEMMSA-N	417.292	5.061	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2n1C(F)F	727629445	WYFITGZKPHTWQO-CQSZACIVSA-N	419.353	5.358	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(/C)c3ccccc3OC)n2)cc1	727631197	BDUKNOJBZGZZLQ-RYBIEJRYSA-N	404.491	5.107	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3csc(-c4ccccn4)n3)s2)cc1	727654183	INDRKBDVCARYPT-KHPPLWFESA-N	403.532	5.842	30	20	HKED	
C#CC[C@H](OC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccn1	727775783	PDPXSIRQCLHCGR-SFHVURJKSA-N	416.424	5.074	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(OC)c2)s1	727840005	TWZQVMUUBMJMCA-UHFFFAOYSA-N	420.538	5.058	30	20	HKED	
CCn1nc(C)c(/C=C\c2nc(C)c(C(=O)/C=C/c3c(C)nn(CC)c3C)s2)c1C	727975225	VCTWWLHJTRSIDP-FAEGWCMCSA-N	423.586	5.185	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)NCc3cccs3)cc2Cl)c1	727979129	VEEFLXHYRZKTOC-UHFFFAOYSA-N	413.955	5.339	30	20	HKED	
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	728466337	RJBBZLMASKAIKS-HSZRJFAPSA-N	422.488	5.179	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(Br)cc1	733254135	SWSJHMABXJCMKG-AWEZNQCLSA-N	415.234	5.056	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)NCc3cccc(O[C@H](C#N)CC)c3)oc12	733800188	UWTBGXNTULYDRI-LPHOPBHVSA-N	421.497	5.073	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2COc2ccccc2)c1	733843114	AFLQBIFNMQOWGN-OAQYLSRUSA-N	415.493	5.268	30	20	HKED	
C=CC[C@H](NCc1csc(-c2cccc(Br)c2)n1)c1ccncc1	734510720	YWMDRTRPMSEARH-SFHVURJKSA-N	400.345	5.375	30	20	HKED	
C=CC[C@H](NC(=O)N(CCC)Cc1ccccc1Br)c1ccncc1	734678780	IIQADVXFJWWXJH-IBGZPJMESA-N	402.336	5.083	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3ccccc3F)oc2C)cc1	739156480	XWSGVUVSYAJZGC-LIRRHRJNSA-N	419.456	5.264	30	20	HKED	
Fc1ccc(-c2nc3c(s2)C(=NNc2cccc(C(F)(F)F)n2)CCC3)cc1	739421324	IWUBENAGWAYZJR-UHFFFAOYSA-N	406.408	5.516	30	20	HKED	
CCCCSCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	740536871	YVDICBRYCLECDQ-AWEZNQCLSA-N	413.395	6.217	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H]2c2ccc(Cl)cc2)c1=S	742174084	QZUVHECZKSCELZ-HXUWFJFHSA-N	410.974	5.249	30	20	HKED	
Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	743147106	PBARPDFCKGNTMN-RBUKOAKNSA-N	408.571	5.180	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc1	744027894	DVBFALWUHOWVOC-QIXNEVBVSA-N	400.400	5.019	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1	751128085	BIRZNHGUXJJRBS-UHFFFAOYSA-N	418.840	5.343	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	752231415	YIRRSRPPARTDTP-FOIQADDNSA-N	407.495	5.046	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C(C)=C/c3ccc(OC)c(F)c3)n2)cc1	755633401	AMAWJVDFHPLUJW-PMXLPMHFSA-N	422.481	5.246	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](C)c2nc3ccccc3o2)cc1	756958067	OUOYQENLXCGQOR-QGZVFWFLSA-N	411.461	5.334	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)c1	768765608	NEUOBMLNLGQRGX-SFHVURJKSA-N	424.287	5.325	30	20	HKED	
CCN(Cc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1)C(=O)OC(C)(C)C	770529264	SOWAHSLXFTZHQE-SFHVURJKSA-N	409.530	5.347	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(Oc2ccccc2)c(F)c1	771334471	ZJNNDZLUGDWTBR-UHFFFAOYSA-N	421.472	5.021	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)ccc1OC	774450941	WJXVYAMLUJKGRS-JTSKRJEESA-N	419.352	5.924	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1	775527710	UANPMDVJJNRAEC-SFTDATJTSA-N	412.537	5.043	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1	777405273	QZFDGTMLKQRZRQ-UHFFFAOYSA-N	410.399	5.091	30	20	HKED	
C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=S)Nc1ccc(C#N)c(Cl)c1	780209865	MRQIVTGSXXWKME-KZULUSFZSA-N	406.338	5.024	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	780584403	NIESNEFHGQIHOO-CVEARBPZSA-N	424.501	5.207	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1Br	782548072	ZWWLGSBAWRSRFG-GOSISDBHSA-N	423.285	5.804	30	20	HKED	
COC(=O)Nc1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	782973498	IARCLMXDEFQBFA-UHFFFAOYSA-N	410.289	5.654	30	20	HKED	
C=CCC[C@H](NC(=O)CC1CCC2(CC1)OCCO2)c1ccc(C(F)(F)F)cc1	788235883	ZRTGSFBGSNEMMA-IBGZPJMESA-N	411.464	5.152	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccco3)s2)COC/C1=C\c1cnc(-c2ccco2)s1	789144668	WQDKVEJWPVKQQD-MFUUIURDSA-N	422.487	5.186	30	20	HKED	
Cc1csc(N(CC(F)(F)F)C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)n1	801666491	RXLXIUGMDUTSIO-NSHDSACASA-N	400.319	5.076	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](C=NOCc1ccc(C(F)(F)F)cc1)CC(F)(F)F	814882047	FCTUMUKFUYMJAI-ZDUSSCGKSA-N	414.346	5.054	30	20	HKED	
C=CCn1c(SC[C@H](O)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1	915057749	LPQQKKRKAKKPGZ-KRWDZBQOSA-N	406.338	5.264	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(C(F)(F)F)c2)cc1	915352529	LUYVALDQJFRCNT-OAQYLSRUSA-N	409.411	5.683	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2)n1	916911750	XEJGMIBKDRJMGZ-CYBMUJFWSA-N	416.289	5.078	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc2ccccc12)c1nc(-c2ccccc2)cs1	917027241	ZMMBGTUVZCPVLZ-OAQYLSRUSA-N	412.514	5.999	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	917043281	JVEKFLBNAVMGPT-JKSUJKDBSA-N	400.425	5.611	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(C2CC2)n(-c2ccccc2)c1=S	917457595	MCZIVCYIMJIMBG-UHFFFAOYSA-N	403.555	5.022	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC4CCC4)cc3)CCC2)c1	1792271182	IITQHFJGVAHJKF-SFHVURJKSA-N	415.537	5.252	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)c1ccc(Cl)cc1	1792818455	PYMXWVAQXIYUJA-RZXSNQJFSA-N	416.993	5.074	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)c1	10142853	YDGYNYQDMKKIDG-UHFFFAOYSA-N	418.472	5.436	30	20	HKED	
COc1cc(CSc2nc(C)cc(C(F)(F)F)c2C#N)ccc1OC(F)F	10399259	UHKYYQXDHICVJR-UHFFFAOYSA-N	404.360	5.183	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(O)c2)cc1C	11160614	AKWXUHSBXCBGIS-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
COc1cc(/C=C\C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCC#N	33469951	AIIYEXXRPNZFSQ-ZSOIEALJSA-N	400.434	5.042	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)cnn1-c1ccc(Cl)cc1	41540163	HUFWUSGZRQXBAT-INIZCTEOSA-N	404.857	5.280	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2cccc(C#N)c2)cs1	52887963	QPEFXKKDLKUNJA-UHFFFAOYSA-N	417.412	5.297	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1	61432365	WWRCVTKKFZTPIP-UHFFFAOYSA-N	409.536	5.273	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	63391742	HNSILFGFWQETCN-UHFFFAOYSA-N	424.504	5.339	30	20	HKED	
CC(C)Oc1cccc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	66022542	JRRQXRIMGVKJPP-UHFFFAOYSA-N	400.478	5.106	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C	107789658	FQWFZTLXSAYYGR-UHFFFAOYSA-N	402.542	5.201	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(C(C)(C)C)cs1	237453731	YJASWTWEBQJFOB-QGZVFWFLSA-N	405.567	5.742	30	20	HKED	
C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	237602443	AEQKXPAJKRVMJJ-MOPGFXCFSA-N	404.485	5.546	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(Oc2ccccn2)cc1	248028800	XBMPLMKXLLSBIG-UHFFFAOYSA-N	414.914	5.182	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccccc1OC	255933608	MOQHGHHLOOVGOQ-AWEZNQCLSA-N	413.930	5.157	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NCC(c2ccccc2)c2ccccc2)c1	303202553	XVGNJXGAOYVGSE-UHFFFAOYSA-N	422.484	5.292	30	20	HKED	
CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)c1cccnc1	303745295	ZNWMXSZVTNLVQJ-LJQANCHMSA-N	414.509	5.342	30	20	HKED	
N#CC1(CCCN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CCOCC1	410410030	GLJPORHUYLQBQL-UHFFFAOYSA-N	411.373	5.075	30	20	HKED	
N#CCCC[C@@H](NCc1ncc(-c2cccc(Br)c2)o1)c1ccccc1	433012558	LBGMHCIUXULKRL-LJQANCHMSA-N	410.315	5.629	30	20	HKED	
CCCN(C(=O)c1ccccc1NCc1ccc(C#N)cc1OC(F)F)C(C)C	433484208	POPDTVDIFBYNSK-UHFFFAOYSA-N	401.457	5.032	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1	436369867	VZWVBJYQLIRECB-UHFFFAOYSA-N	416.462	5.063	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)cc1	437882814	SAKDYHYZFAUSTK-GOSISDBHSA-N	413.521	5.513	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccncc1	437964748	SOFANZWCQGECBN-QFIPXVFZSA-N	400.482	5.114	30	20	HKED	
Cc1sc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nc1C(C)C	438655542	LCWBELIVNSFNIS-UHFFFAOYSA-N	424.501	5.700	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438668357	FONUTOYRRADCFP-FQEVSTJZSA-N	404.445	5.500	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)cc1	439342182	BVYUMYTVRYXAOI-REWPJTCUSA-N	417.553	5.301	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)n1	442595958	DCRFMIAMHALVHQ-OAHLLOKOSA-N	405.281	6.055	30	20	HKED	
CSc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccn12	442675354	BJXIKTFADPEFMM-AWEZNQCLSA-N	424.938	5.323	30	20	HKED	
COc1cc(C)c(Br)cc1NCc1ccc(OC)c(OCCCC#N)c1	462542956	QCYFSQUOSFWOHN-UHFFFAOYSA-N	419.319	5.069	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@H](C#N)C(C)(C)C)c2c1C	464708289	GQAGSHRCDVGRJZ-MRXNPFEDSA-N	410.568	5.127	30	20	HKED	
Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1OCC(F)(F)F	469462123	CRYYFNZWBOPMKZ-UHFFFAOYSA-N	415.415	5.447	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3coc4cc(C)c(C)cc34)n2)cc1	473481639	VLGXGRZQSWAUEU-SFHVURJKSA-N	402.475	5.672	30	20	HKED	
CCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1ccc(F)cc1)c1cccnc1	475756239	OUWHZQPKSMJZLD-NVQXNPDNSA-N	415.512	5.636	30	20	HKED	
CC(C)Nc1ccc(Br)cc1NC(=O)C[C@H](CC#N)c1ccccc1	476191545	IJLUGQJAKQZBOU-INIZCTEOSA-N	400.320	5.295	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)c1ccc(F)c(F)c1	478927281	XVAVWTVYKWAPMO-HXUWFJFHSA-N	415.484	5.240	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cl)cc1OC(F)F	480024714	VJHPQPXWKAIVAK-UHFFFAOYSA-N	412.868	5.329	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Cc2ccccc2CO)CC1	482051294	QRYRZZQTEUVBHI-UHFFFAOYSA-N	406.570	5.517	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482410984	SBITYXVOWWCAPK-GOSISDBHSA-N	411.374	5.062	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cccs1)c1cnc2ccccc2n1	483194126	ICDHGKLIHXEUMH-KRWDZBQOSA-N	401.516	5.474	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cccs1)c1cnc2ccccc2n1	483194127	ICDHGKLIHXEUMH-QGZVFWFLSA-N	401.516	5.474	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	483996826	WLMPVLLOOLDDQN-INIZCTEOSA-N	400.265	5.205	30	20	HKED	
N#CCCN(C(=O)c1csc(CCc2ccccc2)n1)C12CC3CC(CC(C3)C1)C2	486586570	PKIKSPBLJIOIKX-UHFFFAOYSA-N	419.594	5.253	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cccc(F)c2F)cc1	487813279	CZXVMOBQUIKHGB-UHFFFAOYSA-N	408.473	5.101	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12	488855067	LEHLFZHWVUIGJJ-GOSISDBHSA-N	418.537	5.352	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C)c3C)o2)cc1	489760600	QKRRBAAXYWVCKM-MRXNPFEDSA-N	409.511	5.038	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1c[nH]c(C#N)c1	489912508	WHSGCSUZMJLKGR-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
CCN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1	497617407	DCRSNRXJQMJJQL-NRFANRHFSA-N	411.549	5.189	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(Br)cc1	499432741	PKLLYXZZKLBEFS-MRXNPFEDSA-N	415.674	5.357	30	20	HKED	
N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2	505093243	NJZLIWVQYIYAPO-WUKNDPDISA-N	401.535	5.597	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1ccccc1	505882700	ILRNYETUNQVQDU-MRXNPFEDSA-N	409.383	5.323	30	20	HKED	
C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1	507784057	ICQVPUHVBUEOFZ-CQSZACIVSA-N	421.859	5.094	30	20	HKED	
N#CC1CCC(CNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)CC1	508362363	NYDGQGCOSNCYEE-BUNACBEFSA-N	400.494	5.244	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c1	510284446	UDKYMEHHUPVTOJ-UHFFFAOYSA-N	407.857	5.880	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510678918	GABODEQEQKLHFM-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
CC(C)S(=O)(=O)c1ccc(CNc2cccc(Oc3ccc(C#N)cc3)c2)cc1	513649767	FVGIRWVTIUXMLJ-UHFFFAOYSA-N	406.507	5.145	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1	518680660	AOCJUPZERHDXIS-UHFFFAOYSA-N	422.916	5.431	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)c1	520939267	PCFCMJKNWSIFCO-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OCC	521417697	FFERUUNZXSSQIZ-GOSISDBHSA-N	409.530	5.037	30	20	HKED	
CCOc1ccc(CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1	521811572	MERSRTGMDMOQQZ-SFHVURJKSA-N	411.571	5.922	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CSc4ccccc43)cc2F)c1	522816455	GEYVCBIRWHTSHM-LJQANCHMSA-N	404.466	5.104	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COC(C)(C)C)c1	523547303	SIKQLKKOQVECKM-UHFFFAOYSA-N	407.558	5.241	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CC1	523616078	UQUHXTBGDFDYOW-UHFFFAOYSA-N	417.431	5.388	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc([C@@H]2CCCO2)s1	534083411	HLVLXGPCPZDGCY-FQEVSTJZSA-N	421.497	5.161	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1COc2ccccc21	535889952	XGLOITGTVKUZGR-HTAPYJJXSA-N	414.530	5.145	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1ccc(Cl)cc1	538672854	VRRVLQXTJQWDPX-CQSZACIVSA-N	410.930	5.338	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1	539726151	UQRHBEUPQHUIQP-UHFFFAOYSA-N	414.465	5.119	30	20	HKED	
CC(=O)N(c1nc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1)C1CC1	541083880	AXMMOZMEUWEVAD-MRXNPFEDSA-N	416.550	5.048	30	20	HKED	
Cc1cnccc1N1CCC(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	542002898	RFHIMJNRLBOCNY-HXUWFJFHSA-N	424.548	5.023	30	20	HKED	
C=CCN(C(=O)CSc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1	542198318	GNJGISAYZZPUSA-UHFFFAOYSA-N	411.508	5.030	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1cccs1	554418529	CXMQTGPDMLRUOA-QFIPXVFZSA-N	417.534	6.336	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC2)c(F)c1	557124162	UZWNOMAVDYWZNI-UHFFFAOYSA-N	421.299	5.007	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C1CC1	568129476	XSEXKHMTGQGJIW-UHFFFAOYSA-N	414.509	5.119	30	20	HKED	
COc1cc(CN[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)ccc1C#N	569159250	NZMGGIVCGHDAKN-HSZRJFAPSA-N	410.489	5.446	30	20	HKED	
C=C(C)[C@H](CC(=O)NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1)OCC	570719886	ZQWSOGRAHKDXFS-SFHVURJKSA-N	402.535	5.124	30	20	HKED	
C[C@H](Nc1ccc(C#N)cc1Br)[C@H](OC1CCOCC1)c1ccccc1	573052049	LAVNCVDPFYMBJB-BTYIYWSLSA-N	415.331	5.058	30	20	HKED	
C=CCN(C(=O)C1=CCOCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	576974015	BKVNIGBPVRYCPY-UHFFFAOYSA-N	402.519	5.343	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[C@H]1[C@H]1CCCO1	576994777	BHKQJDCOLQFZGA-RTWAWAEBSA-N	410.901	5.034	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	578697656	MXTRKCXDPJNTPO-IYBDPMFKSA-N	420.406	5.683	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1ccc(Br)cc1C#N	589055883	GACUMCAKNUMKQS-UHFFFAOYSA-N	400.320	5.226	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCc3cc(OCC)c(OCC)cc3C2)c1	589741513	KCELIZQKJBLPEF-UHFFFAOYSA-N	410.514	5.029	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)ccc21	592973916	KZVZHTLDRCVFML-SFHVURJKSA-N	421.497	5.143	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1ccccc1Cl	601931197	DDYCPLREDKXOHA-ZDUSSCGKSA-N	410.861	5.073	30	20	HKED	
COc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)c1	608916110	JWUDXMCJJLRPOT-UHFFFAOYSA-N	415.493	5.802	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1	609060729	CNYUGSRVLAXOCU-QHCPKHFHSA-N	418.880	5.041	30	20	HKED	
Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609064806	IRVOVMRBOGISFM-UHFFFAOYSA-N	411.436	5.385	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3cc4ccccc4o3)cc2F)c1	609104906	QDMSIWVSXUNACK-UHFFFAOYSA-N	400.409	5.204	30	20	HKED	
CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609147616	RYFQLJHTUNSGLE-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
COCCOc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	609163913	CHWPCNALJACQAX-NRFANRHFSA-N	420.896	5.273	30	20	HKED	
C[C@H](NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccc(C#N)cc1	609261186	XZFLSKULGPSGKL-OYHNWAKOSA-N	408.473	5.547	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	609398781	QEUDMEHMJVTVCL-XLIONFOSSA-N	409.555	5.706	30	20	HKED	
CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	609496677	CETZUQWXHMLAAH-UHFFFAOYSA-N	413.477	5.392	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(C(F)(F)F)cs3)cc2)cc1	609499889	QYUZMWNWKSTPIK-UHFFFAOYSA-N	403.385	5.273	30	20	HKED	
COc1ccc2c(c1)CCN2C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609724451	PJXSSFXQWXOIRB-UHFFFAOYSA-N	404.853	5.215	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1	609811305	YURBMQOQOKVBCW-UWJYYQICSA-N	408.571	5.373	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[C@@H]1c1ccccc1	610320277	VLNUXBCCXHVRSC-MBSDFSHPSA-N	412.493	5.403	30	20	HKED	
N#CCn1c(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc2ccccc21	610949102	MLFLCWYHXQHHIS-UHFFFAOYSA-N	409.942	5.215	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)C(=O)NCC(F)(F)F	620343545	KNLVMDQRMIPSSX-SNVBAGLBSA-N	424.316	5.116	30	20	HKED	
O=C(CCSc1ccc(F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642158472	VXDIQXRVSFEICZ-PJXYFTJBSA-N	417.390	5.334	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674447497	RTUXKCCVPJBRFC-AAXDQBDMSA-N	419.287	5.008	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	726754565	MUAZMCRJFWAOIO-LJQANCHMSA-N	401.510	5.021	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)NCCc3ccccc3)cc2Cl)c1	727978136	GRICNDRTFWPUEG-UHFFFAOYSA-N	421.953	5.320	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc(OC(F)F)cc1OC(F)F	728157034	RFMADJSIBWDICG-RMKNXTFCSA-N	418.346	5.243	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1	728767107	VFURMAODQLIUQC-VQTJNVASSA-N	416.443	5.413	30	20	HKED	
COc1ccccc1/C(C)=C/C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	729370294	SGRQFZJZSSDRLN-KRNATXNASA-N	412.489	5.059	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSC[C@@H]1OCCc2ccccc21	734510625	CXUVDCHWAGTVEK-JXFKEZNVSA-N	412.580	5.067	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1	736955224	GTWVYRCJCALBTA-NLFFAJNJSA-N	413.496	5.578	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)CC1CCC1	740888262	DPHRYABUTVWEJZ-PGRDOPGGSA-N	410.521	5.087	30	20	HKED	
Cc1ncsc1/C=C1\CCc2nc(-c3ccccc3Br)sc2C1=O	742433939	DADNSMRZZRRFGE-DHZHZOJOSA-N	417.353	5.550	30	20	HKED	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1Cl	743282322	LBANOYDLFHNPRY-FRKPEAEDSA-N	421.330	5.279	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c[nH]c12	744030543	HINNRIWRFUDTNK-INIZCTEOSA-N	414.292	5.063	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)n2)cc1	744063192	YWTLRDOXVVIGAT-IXDOHACOSA-N	410.445	5.077	30	20	HKED	
CCOCc1cc(/C=C2/CCOc3cc(Br)ccc3C2=O)ccc1OC	747613017	OVDQBROYHJSPPJ-GDNBJRDFSA-N	417.299	5.043	30	20	HKED	
C=CCCCC(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1	748234316	BCUKASPIPNXBLW-UHFFFAOYSA-N	413.326	5.534	30	20	HKED	
COc1ccccc1-c1nc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)cs1	750883862	KCFHHLHKESPRIJ-UHFFFAOYSA-N	417.408	5.046	30	20	HKED	
COc1cc(F)c(C(=O)/C=C/c2cccc(OCc3ccccc3C#N)c2)cc1OC	760262537	AYJMAOZEHXELNC-ZHACJKMWSA-N	417.436	5.190	30	20	HKED	
Cc1ccc2c(CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c[nH]c2c1	764749982	DRTFHHRYDNOVER-UHFFFAOYSA-N	417.296	5.123	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)cs1	766507743	XDLRQAUHIRPFAA-ZAAFRKLLSA-N	420.509	5.986	30	20	HKED	
CC(=O)N(c1nc(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)cs1)c1ccc(F)cc1F	766694856	GQZOZSHUIVCLIC-SGPNVBEDSA-N	424.472	5.798	30	20	HKED	
Cc1nn2c(C=NNc3nc4cc(C(F)(F)F)ccc4s3)c(C(C)C)nc2s1	766705637	MUIQOQCQSWMMHB-UHFFFAOYSA-N	424.477	5.297	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	766843082	FGZXQXHWXHWCDZ-HMVFGEFZSA-N	414.317	5.792	30	20	HKED	
C=C(C)[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(F)c(F)c1	775557743	JSEUSOMQQVXOCT-OYHNWAKOSA-N	406.904	5.423	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@@H](C)c2ccc(OCC#N)cc2)cc1	776158409	FRNFIBDEOYKRCY-AVRWGWEMSA-N	404.485	5.371	30	20	HKED	
C[C@H](N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccc(OCC#N)cc1	776165366	PYZSAWZURRSAFK-WNSKOXEYSA-N	412.867	5.961	30	20	HKED	
COc1cccc(Cc2cnc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)s2)c1	777335462	YBOBBKWFDZGDDU-UHFFFAOYSA-N	418.305	5.173	30	20	HKED	
COCOc1ccc(OC)cc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782382500	CAEJACFYNFESHM-GOSISDBHSA-N	402.494	5.067	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1	798065562	WGPLITQCKFCHGC-RIFZZMRRSA-N	418.324	5.030	30	20	HKED	
FC(F)(F)c1ccc([C@@H]2CCC(=NNc3nnc(-c4ccccn4)s3)C2)cc1	799486178	TXWVZIFRSRGOCO-CYBMUJFWSA-N	403.433	5.355	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccc(C(=O)C(C)C)cc3)n2)cc1	802043742	OUKBFZQSYOLMRN-DYESRHJHSA-N	416.546	5.937	30	20	HKED	
COC(OC)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1	806542254	OIVMIMFHGPVMHR-UHFFFAOYSA-N	412.829	5.141	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)c2oc3ccccc3c2CSc2ncccn2)CC1	809091881	PZPMWNGZDYCNHP-IYBDPMFKSA-N	407.495	5.002	30	20	HKED	
N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1cc(C(F)(F)F)ccn1	813216470	SLMZYMHYWIDDOA-AWEZNQCLSA-N	403.429	5.299	30	20	HKED	
CCc1nc(C(C)C)ccc1CSc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1	814738237	VAYJFBDDMUIDDI-UHFFFAOYSA-N	420.538	5.103	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1	828597586	JAWVCVKRBWEVEW-FGZHOGPDSA-N	403.551	5.265	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2c(Cl)cccc2Cl)c1	877124257	LQQZLEXBYCFSNG-OAHLLOKOSA-N	419.308	5.102	30	20	HKED	
C=CCOc1ccc(Cc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc1	904507692	FRVYNOSOJJNZLN-UHFFFAOYSA-N	403.413	5.219	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1	916905540	DOJZXNAIOUUXPV-JTSKRJEESA-N	420.553	5.224	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C3SCCS3)cc2)cc1	916914714	RWKVHLUPOPPFIZ-FQEVSTJZSA-N	424.591	5.469	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1	917047497	YRONGNGLAFSCDC-GCJKJVERSA-N	418.905	5.946	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	921011120	PEAXANIBIYRGBO-RUZDIDTESA-N	423.472	5.253	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C(C)=C/c4cccs4)CCC3)cc2)C1	1785803232	FBTMCDMADLOBFM-BMRADRMJSA-N	406.551	5.252	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C(C)=C/c4ccc(C)o4)CCC3)cc2)C1	1785808490	FZMSKKMNXIRXCI-BMRADRMJSA-N	404.510	5.092	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1)C(F)(F)F	1791325597	OOHDRBULBVZNJJ-IXDOHACOSA-N	420.475	5.065	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)CC1	1831508411	BRTWMBMEFLNRBD-IMSXRSKXSA-N	410.602	5.012	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1	24293454	SYJBZHYXYVOYCO-UHFFFAOYSA-N	408.914	5.732	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)c(C)c1Cl	41555477	HAYNABQENQPAMQ-INIZCTEOSA-N	418.806	5.046	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)c2C#N)C1	60666730	IZZPVRYVEYISQF-ZDUSSCGKSA-N	421.547	5.311	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	64455488	JABMGSPXUXKJAL-UHFFFAOYSA-N	404.278	5.249	30	20	HKED	
O/C(=N\c1nc(-c2ccccc2Cl)n[nH]1)C1(c2ccc(Br)cc2)CC1	97576499	FQONDFDHPSLGJN-UHFFFAOYSA-N	417.694	5.207	30	20	HKED	
N#CCCCOc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1	237816925	QUNVQGPIHWGPOQ-UHFFFAOYSA-N	411.845	5.803	30	20	HKED	
C=CCn1c(Sc2nc3cc(C(F)(F)F)ccc3s2)nnc1-c1ccncc1	301375274	VKUPWBMFAGCUKO-UHFFFAOYSA-N	419.457	5.306	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3snc(Cl)c3C#N)CC2)n1	302752369	VSLXQOMRYOACJK-UHFFFAOYSA-N	416.959	5.184	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	303302678	CZOQPBBDGGCVAB-XOKHGSTOSA-N	404.457	5.842	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3Cl)c2C#N)C1	322418821	YJDHOBMEBBWWNF-VIFPVBQESA-N	409.736	5.413	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cc1	409506622	HXDCUWPRNLZPNV-LJQANCHMSA-N	421.541	5.171	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cc(Cl)ccc1Cl	426781832	CFXCTSFYMNMMNX-UONOGXRCSA-N	422.381	5.534	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3Cl)c3c(C)noc3n2)cc1	430354650	OBRSXHDPRKIJLE-UHFFFAOYSA-N	402.841	5.284	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2s1	430613511	WBCDFXWSKCIFHO-LLVKDONJSA-N	418.613	5.448	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1c(C)cc(C)cc1Br	431986518	MTNPGWYDMOEKIU-UHFFFAOYSA-N	403.320	5.295	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	432965748	PBEFIXRBXWSIED-UHFFFAOYSA-N	419.504	5.665	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	433489796	SQCZLXQZCJURAX-UHFFFAOYSA-N	407.514	5.456	30	20	HKED	
CCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](Cc1ccc(F)cc1)C(C)C	435125022	BYQZIGAFRAZOEY-DEOSSOPVSA-N	419.548	5.087	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437479924	FCGYLLIYBHVBRV-UHFFFAOYSA-N	412.873	6.117	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437498267	HQSIBRFRBIXRBC-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
CCCc1c(NC(=O)N(CC)[C@H](CC)c2ccncc2)cnn1-c1cccc(C#N)c1	439679333	VGUYOTNQCYNQQQ-JOCHJYFZSA-N	416.529	5.097	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nc2ccccc2o1	444455072	RLYBXQKCROFGLG-ZDUSSCGKSA-N	412.323	5.476	30	20	HKED	
C[C@H](NCc1noc(-c2ccc(F)cc2F)n1)c1ccc(-c2cccc(C#N)c2)cc1	444610162	CMBRYJYAKSHZHD-HNNXBMFYSA-N	416.431	5.404	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cnn1C1CCCC1	445241210	PRUMKPZVVHWEMS-UHFFFAOYSA-N	401.470	5.615	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1	446166333	BFSNFDCIQJJHHL-HNNXBMFYSA-N	424.957	5.737	30	20	HKED	
CCc1nc2ccccc2n1Cc1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1	460748476	MBHCGUBFCQZUJN-OUKQBFOZSA-N	422.492	5.069	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ncccc1OCCCC#N	466600288	JBOQURUGBLHINB-ZDUSSCGKSA-N	407.301	5.296	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(c2cccc(Br)c2)CC1)c1ccccc1	466786049	DISQSHUSGWBKDH-FQEVSTJZSA-N	411.343	5.243	30	20	HKED	
COc1ccccc1Oc1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)cc1	475915655	DSXWUNWWRBGVGO-OAQYLSRUSA-N	400.478	5.191	30	20	HKED	
COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1NC(=O)C1CCCCC1	476066352	SXJPLQLFXUUADE-UHFFFAOYSA-N	419.525	5.267	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(-c2cccc3cnccc23)c1C	476086085	WSVQHXSKOVHKAA-UHFFFAOYSA-N	411.509	5.228	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)C[C@H](CC#N)c2ccccc2)c1	476628651	FVPXSTQIGPWEDU-DANFDKMISA-N	424.544	5.840	30	20	HKED	
C[C@@H](c1nnc(SCc2ccc(C#N)c(F)c2)n1-c1ccccc1)N1CCCCC1	478539188	NJOKVZYNFAEXLE-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
CCN(Cc1cccc(Cl)c1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479170925	VTBWMMCYAUUOQQ-UHFFFAOYSA-N	411.933	5.133	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	479548179	SZFKAYLYPBQVTF-UHFFFAOYSA-N	424.529	5.764	30	20	HKED	
CC(C)n1nccc1CNc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	479795958	XEFTYHVEMHNZLF-UHFFFAOYSA-N	405.449	5.014	30	20	HKED	
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	482845343	YZRAINKJKLUOPZ-UHFFFAOYSA-N	419.868	5.605	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(F)c(F)c1	483306539	UPKRAWINRZXOSA-RTWAWAEBSA-N	410.468	5.313	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cc1	485763446	UXVVDCLDQHIBOG-UHFFFAOYSA-N	410.901	5.890	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccn(CC(F)(F)F)n1	486139619	VOYGQUWTNBLFAE-UHFFFAOYSA-N	415.375	5.062	30	20	HKED	
CCNC(=O)Nc1ccc(C)c(NCc2cccc(OCc3cccc(C#N)c3)c2)c1	487210335	MOKMXHFXAFJZML-UHFFFAOYSA-N	414.509	5.199	30	20	HKED	
N#Cc1c(F)cccc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1	488220056	SXYXMZHHSCLDRW-UHFFFAOYSA-N	410.257	5.258	30	20	HKED	
Cc1cc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)ccc1C#N	488303580	WMSZTOBLKCKUEM-CQSZACIVSA-N	412.356	5.604	30	20	HKED	
N#C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)CCO1	491593033	AWXVVIXJCIHSBY-LBPRGKRZSA-N	410.688	5.070	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc([C@H]2CCCOC2)c1	499617898	RGPBYHGJBWVKTG-NRFANRHFSA-N	413.477	5.200	30	20	HKED	
CC(C)N(CC#Cc1cccc(Cl)c1)Cc1nnc(-c2ccccc2Cl)o1	502766198	PKSBAWMBRVCFNW-UHFFFAOYSA-N	400.309	5.306	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccc(F)cc3F)C3CC3)s2)cc1	503194281	XMNUYVVUADVNSG-UHFFFAOYSA-N	424.476	5.080	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3OC(F)F)cc2)c1	505310528	KVZWHYRFHNHYOQ-RTBURBONSA-N	401.413	5.022	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1	508290145	GBNVOWCMEHXYKE-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	511338548	GLXPXQYMWDYTJN-OAQYLSRUSA-N	413.521	5.647	30	20	HKED	
CCC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	511913652	CLPPSBWFOMATRL-KRWDZBQOSA-N	419.550	5.453	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CN[C@@H](C)c2ccc(C#N)cc2F)cc1	512630846	OOLVKXRWMSNWHT-KRWDZBQOSA-N	405.473	5.524	30	20	HKED	
CSc1ccc(-c2csc(NC(=O)CSCc3ccc(C#N)cc3)n2)cc1	514431893	OQTBKUVUJVYCBS-UHFFFAOYSA-N	411.577	5.276	30	20	HKED	
CC(C)OCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)oc2ccccc12	515540184	IMFQEKZGYUFBEB-HNNXBMFYSA-N	423.419	5.593	30	20	HKED	
Cc1cccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	515773827	FIDGTUFAMSHHIP-QFIPXVFZSA-N	403.913	5.968	30	20	HKED	
CC(C)(C)c1ccc(CCCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1	517079208	HNJZBXBKXGJLSX-UHFFFAOYSA-N	404.554	5.248	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1	517934531	VNMHZACXADBMBJ-INIZCTEOSA-N	405.885	5.752	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)nc1	520316314	GKLUOYSHJBFGGT-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N(C)C1CCCCC1	520834008	QGGFEGZZICZLDU-CQSZACIVSA-N	413.509	5.303	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nc3ccccc3s2)c1	522575026	NSBVZAVCZDCPMC-UHFFFAOYSA-N	419.893	5.544	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)sc2nc(C(F)(F)F)ccc12	522829736	VZICNUIFFPLKJY-GFCCVEGCSA-N	414.412	5.298	30	20	HKED	
Cc1nc(NC(=O)c2cccnc2SCC2CCCCC2)sc1SCC#N	524500963	FMHVDVUKSXANON-UHFFFAOYSA-N	418.613	5.387	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)n1C	534690980	LSTUHSQKGAALPU-HNNXBMFYSA-N	404.520	5.071	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccccc2CC(F)(F)F)cc1	536940692	ZSVQNIRQTCEFON-UHFFFAOYSA-N	409.411	5.652	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC1	537719535	BGFXMCAEJVXFHS-UHFFFAOYSA-N	419.912	6.001	30	20	HKED	
C[C@H]1c2ccc(F)cc2C[C@@H](C)N1CC(=O)Nc1ccccc1S[C@H](C)CC#N	538787820	SSYGBONKRKLCSU-ZACQAIPSSA-N	411.546	5.166	30	20	HKED	
C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1	541072456	BUKKCTDXSNOHFD-HXUWFJFHSA-N	410.517	5.151	30	20	HKED	
COCc1cc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F	542032557	IWVJIZIYQHUPAL-KRWDZBQOSA-N	417.484	5.071	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543875295	SBTCIWWWNGLVEA-MOPGFXCFSA-N	413.521	5.220	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	544235775	JEWGRLGEGPKSNY-HNAYVOBHSA-N	424.957	5.719	30	20	HKED	
N#Cc1ccc(OCc2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cc1	546414193	JRGOCJALMWEAJZ-UHFFFAOYSA-N	404.813	5.028	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(Oc2ccc(C(C)C)cc2)CC1	549303018	KANIMPCRSRKGBH-WMZHIEFXSA-N	424.589	5.123	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Oc2cccnc2)nc1	551414803	AUEPLEXOWGPXIS-UHFFFAOYSA-N	415.371	5.105	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2o1	557546830	HADVYXUNWYCSSF-GFCCVEGCSA-N	417.943	5.606	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nccn1-c1ccccc1	558338583	VSQSZJXHFKVRKJ-IAGOWNOFSA-N	405.527	5.007	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c(C)c1	560283393	ZRYLXYHPBKBIHB-PGRDOPGGSA-N	423.582	5.376	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	570124965	CNGQLMGCRWQSON-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2Cl)cc1	579533280	ORPYDFRJLFGEHF-UHFFFAOYSA-N	406.747	5.868	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1cccc(C)c1	580616773	NZAMPWSTZVKJLG-QGZVFWFLSA-N	412.415	5.037	30	20	HKED	
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1I	581325155	JYFPKMNFZXIIDU-DNVCBOLYSA-N	404.295	5.377	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCc3occc3C2)cc1Cl	588992961	RNNGNZCVBZAGEM-FQEVSTJZSA-N	405.885	5.569	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc2ncsc2c1	603533277	ZJELDZDGSODOAF-UHFFFAOYSA-N	401.466	5.463	30	20	HKED	
CCOc1ccc([C@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)cc1	603740062	PIZZALVFBXHZID-RUZDIDTESA-N	416.546	5.096	30	20	HKED	
COc1cccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	603962173	IWRWSFXUMWORRL-NRFANRHFSA-N	406.869	5.022	30	20	HKED	
CC(C)(C)c1ccc(NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1	604007766	ZTYYRHZWDBIKBU-UHFFFAOYSA-N	400.482	5.094	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	604460741	YMOGNEPDZQKQHJ-UHFFFAOYSA-N	413.477	5.579	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)no1	608552817	RACBBNMDLOYRGV-LJQANCHMSA-N	410.477	5.363	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCC(C)C	608918367	JHPNLSNNSIQQLE-LJQANCHMSA-N	423.557	5.283	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1	609081137	HLTAAECRRYLCSY-HNNXBMFYSA-N	414.437	5.138	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)cn2)cc1	609139817	XTYQOJRFAMUWSX-DEOSSOPVSA-N	421.460	5.052	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2cccnc2)cc1	609377529	WTVHTHOWQBRMCD-KRWDZBQOSA-N	403.507	5.165	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccccc3)c3ccccn3)c2)cc1	609641480	YGNXOEJJKSTARG-UHFFFAOYSA-N	419.484	5.379	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)o1	609984587	PUYBKWOHKNFBJY-FQEVSTJZSA-N	404.466	5.389	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[C@H]1c1ccccc1	610320275	VLNUXBCCXHVRSC-FDDCHVKYSA-N	412.493	5.403	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(Cl)c1	611092841	JMZGVGOQQYVDJC-UHFFFAOYSA-N	416.289	5.431	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1Br	611132128	DOZXUOKDQFGLLA-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
O=C(N[C@H](c1ccccc1)C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618555652	SKGDDAIWGGPIIR-IJLUTSLNSA-N	422.291	5.062	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)on2)c1	619214459	RNYYGKYLIPBRTM-UHFFFAOYSA-N	407.298	5.120	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(Br)c(F)c2F)cc1	630057323	AEAQIQNOGHKNLN-UHFFFAOYSA-N	421.285	5.154	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1	642281786	QQMRKPUCOWJPSQ-NRFANRHFSA-N	423.497	5.552	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3C)no2)nnc1-c1ccc(C)cc1	675771692	ZMPRIRCNSHGAQU-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C(F)F	676142724	SBXCEJVNVOWEBQ-UHFFFAOYSA-N	401.257	5.131	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	678554262	FCYACSZBHVNQHB-UHFFFAOYSA-N	418.288	5.023	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1	680170294	ZFTONYLESLGKQJ-MRXNPFEDSA-N	407.351	5.399	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1nc2ccccc2n1C	725839696	PSLGBLNFDOPYJS-UHFFFAOYSA-N	416.485	5.220	30	20	HKED	
O=C(/C=C\c1c(Cl)nc2sccn12)c1c[nH]c2cc(Br)ccc12	729937133	MBWYWIDNRVIOOD-ARJAWSKDSA-N	406.692	5.189	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	730897098	FVKWVNQMQVZLRC-OAQYLSRUSA-N	423.567	5.149	30	20	HKED	
C#CC[C@@H](OC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccccn1	733693145	VEMXVYZUYQZKJP-HSZRJFAPSA-N	405.881	5.164	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1nc(-c2ccncc2)cs1	734082335	AWYSNOUDLHGFGM-GOSISDBHSA-N	417.465	5.413	30	20	HKED	
C=CCCCOC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	735528274	OEGGPKTUMPAPFY-CQSZACIVSA-N	414.552	5.195	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740025636	LMKXKBKUUWETBB-INIZCTEOSA-N	405.523	5.246	30	20	HKED	
COC(=O)[C@H](OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(C#N)cc1	740185749	VSAUXBNKBDBKPC-MRXNPFEDSA-N	420.273	5.151	30	20	HKED	
COc1cccc([C@@H](NC(=S)Nc2ccccc2C#N)c2ccccc2Cl)c1	741494627	BNGWZNPEYSBSFC-OAQYLSRUSA-N	407.926	5.296	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(c3ccccc3Oc3ccccc3)C2=O)o1	743282620	OVUBVXNRAYAXOM-UNOMPAQXSA-N	404.472	5.349	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	747843117	LXYHYUAQEHULMY-HDMKZQKVSA-N	411.958	5.250	30	20	HKED	
COc1cc(C(=O)/C=C/c2cnc(-c3ccccn3)s2)ccc1SC(F)F	753141310	GEYNVOCJKPSJTO-VOTSOKGWSA-N	404.463	5.425	30	20	HKED	
O=C(O)C(=O)/C(=C\c1cc(C(F)(F)F)ccc1Cl)c1ccc2ccccc2n1	753715593	SMBKOACLGKPREP-UVTDQMKNSA-N	405.759	5.101	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N	754434494	SUIKTLKCSPYOTQ-UHFFFAOYSA-N	420.469	5.158	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)/C(C)=C\c2ccc(OC)c(F)c2)cc1	755605071	YNVBJXGKSFWKKC-LNVFWXGPSA-N	408.473	5.099	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C(C)=C/c3ccc(OC)c(F)c3)n2)cc1	755633399	AMAWJVDFHPLUJW-MDNBWPLSSA-N	422.481	5.246	30	20	HKED	
CCOc1ccc(C=NOCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC	755803042	XWCJOLXXCXFKNW-UHFFFAOYSA-N	420.387	5.318	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1	759063055	JCIHMLANGBGDEL-UHFFFAOYSA-O	407.603	5.003	30	20	HKED	
C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	759440908	OWTIOVXPYBCXIO-HZMBPMFUSA-N	424.831	5.612	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1	760182776	HSCJDXZINSFQCD-MGPUTAFESA-N	424.928	5.021	30	20	HKED	
CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccc(Br)cc1	760477252	FCTLUDMUFBVDGU-MOPGFXCFSA-N	417.347	5.380	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1cccc(C(=O)c2ccccc2)c1	762019306	UJWGJVKOINAEIZ-WZONZLPQSA-N	404.469	5.446	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1	764986918	IDZXHBFIIJAYTA-IAGOWNOFSA-N	413.949	5.514	30	20	HKED	
N#C[C@H](C(=O)CCCc1cccc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	770843220	PWQJUPJHFQIFKM-QGZVFWFLSA-N	415.440	5.423	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)N[C@@H](C)c3ccc(OCC#N)cc3)cc2)c1	772959411	MKTMZRVMXBGHAB-LEWJYISDSA-N	400.522	5.888	30	20	HKED	
COc1ccc(OC)c(NC(=S)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1	777476065	DVICDWDPEUNWNI-UHFFFAOYSA-N	405.479	5.177	30	20	HKED	
C[C@H](Nc1ccccc1O[C@H](C)C#N)C(=O)Nc1ccccc1Sc1ccccc1	779713740	XPQGKUBVNCEBOW-MSOLQXFVSA-N	417.534	5.568	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1	780149539	QDPTYIXZLQZSDM-OYHNWAKOSA-N	408.404	5.014	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1	780678527	OYGQGUCYUREGLQ-QZTJIDSGSA-N	400.482	5.795	30	20	HKED	
Cn1nc(C(F)(F)F)c(CSCc2cc(Cl)ccc2OCC#N)c1Cl	782243631	AQCACLDMNLAYGG-UHFFFAOYSA-N	410.248	5.081	30	20	HKED	
Cc1ccc(Br)nc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	786619736	ZQQZVAGGZMFZRR-UHFFFAOYSA-N	424.323	5.104	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)/C=C(\C)c1ccccc1C(F)(F)F)c1ccccc1	787032651	DNGBWHIEFKJULO-LVJYUZMDSA-N	414.427	5.085	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccccc2SC(C)(C)C)ccc1OC	788638004	FFGLCPFIVMPBGG-IEBWSBKVSA-N	412.599	6.118	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)c1ccncc1	788790049	CIQKXJPUIJBVPE-HXUWFJFHSA-N	414.347	5.083	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1	790538346	FYJCOTCFTJHWDM-SFHVURJKSA-N	423.831	5.224	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(C(=O)Nc3ccc(C#N)cc3Cl)ccc21	796829754	ZBZCOVXOWKIAGW-UHFFFAOYSA-N	411.889	5.152	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCc2ccccc2Br)s1	797566622	PAZGYUVCDHEFMW-AWEZNQCLSA-N	405.361	5.402	30	20	HKED	
Cc1nn(C(C)C)cc1/C=C\C(=O)c1sc(/C=C\c2cn(C(C)C)nc2C)nc1C	798370240	HKZIYRCEQBSMFL-WGEIWTTOSA-N	423.586	5.690	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)c(C(F)(F)F)cc3F)cn2)cc1	804269506	XLKROENJFAFRLZ-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
CCN(c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1)C(C)C	806128728	NXZULZGVYQKKTG-UHFFFAOYSA-N	424.520	5.007	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	806222356	JXLJCDUWKGYACM-DEOSSOPVSA-N	423.516	5.088	30	20	HKED	
C[C@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc(C#N)c1	806971521	ONPHKJXHYQRYNJ-LAUBAEHRSA-N	421.541	5.028	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1	808733388	RJWXIGPKPMCDRB-UHFFFAOYSA-N	404.478	5.533	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1	808847754	IOGPZXNBUXNJPP-IZZNHLLZSA-N	414.549	6.135	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(Br)c1	813066749	HBCAAFFTPRCJLN-IINYFYTJSA-N	403.276	5.178	30	20	HKED	
CC(=NN[C@H]1CCOC(C)(C)C1)c1sc(-c2ccccc2Br)nc1C	814908361	OGWHOMOZSHXMSL-AWEZNQCLSA-N	422.392	5.152	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(C(C)(C)Oc3ccc(C#N)cc3)n2)c1	904634460	OVXZLCAUZMXXRY-UHFFFAOYSA-N	420.469	5.269	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1nc2ccccc2n1C(F)F	915107044	KIRGXPCPBYCACS-MRXNPFEDSA-N	423.394	5.640	30	20	HKED	
CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1	916272623	FQESBPXWQFHSDS-UHFFFAOYSA-N	423.925	5.368	30	20	HKED	
Cc1ccccc1SCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	916907704	ZWAVNAVMJSEYQP-IBGZPJMESA-N	416.502	5.227	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917044294	SGAIABXYOKCZAO-YGRLFVJLSA-N	424.831	5.612	30	20	HKED	
COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(OC(F)F)cc3)cs2)cc1	920065566	XGHAYRKBWSZUDR-NYYWCZLTSA-N	417.433	5.228	30	20	HKED	
Cc1ccc(C)c2c(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)oc12	920110545	RWXWCQNVBARXDZ-AWEZNQCLSA-N	415.276	5.626	30	20	HKED	
COc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920138778	JFDLZARLXYJCBF-LJQANCHMSA-N	424.547	5.186	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)-c3ccccc3C4)n2)cc1	920141806	RRVQDJRPXAJQHQ-QHCPKHFHSA-N	417.493	5.743	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1	1786747648	TTWYSEDVMCGLQD-MDWZMJQESA-N	404.510	5.195	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCCC3)cc2)CCC1	1790516756	ITKOUVWLQUBXBW-LFIBNONCSA-N	424.585	5.240	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1	1827987604	UCLPQNUVLAZJIF-GOSISDBHSA-N	420.981	5.159	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1828829573	JMUUTLNMDFIERK-GOTSBHOMSA-N	414.634	5.201	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(O)c2)c1	22729665	PELJMYPHESQLRM-UHFFFAOYSA-O	419.570	5.273	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(CC)c2)cc1	22732403	UDMCBBWAXUCHFO-UHFFFAOYSA-O	423.627	5.910	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1	32487769	FIINAXUPRBUQHP-UHFFFAOYSA-N	422.431	5.011	30	20	HKED	
CC(C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	56037052	TULVYDLSIKNION-UHFFFAOYSA-N	410.861	5.082	30	20	HKED	
COc1ccccc1C(C)(C)CNC(=O)c1ccccc1Sc1ccccc1C#N	62928616	NTLIJUXXELJGGX-UHFFFAOYSA-N	416.546	5.426	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC(F)F	66037301	MNHWVOMBMOENKW-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C	72025308	YXIKIKGZWNNCMY-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc([N+](=O)[O-])c1	146985650	CSYDKHXQZWKWLO-ZDUSSCGKSA-N	405.357	5.022	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CCCc3occc32)cc1OCC	236889988	MNYLCGDACXCYCH-QGZVFWFLSA-N	406.320	5.173	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nc2cc(Cl)ccc2c1=O	302852398	VSECCNWSSDVIMR-CYBMUJFWSA-N	424.913	5.139	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccsc1	303348181	DOTCPEZMDPXYNP-QFBILLFUSA-N	416.616	5.204	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c1	409769083	PQQGIILUSWGNPI-UHFFFAOYSA-N	418.831	5.066	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1	426894869	DZZCNFOIRXOXNB-VIFPVBQESA-N	409.886	5.336	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cncc(F)c1	436320494	HMGMTRMRSVSMCJ-MEBBXXQBSA-N	423.332	5.293	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1	437793734	CMFISFBTEHKCIK-HNNXBMFYSA-N	410.499	5.043	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(F)ccc1Cl	437911734	AJXHHNYOJXLUOR-ZDUSSCGKSA-N	408.951	5.603	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)Oc1cccc(Cl)c1	438061157	RXQIYRAHSDDYRS-GJZGRUSLSA-N	403.935	5.181	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccccc1	439317469	UHOFQSXZVNSKFH-SFHVURJKSA-N	413.403	5.058	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3cccc(Oc4ccnc5ccccc45)c3)CC2)cc1	444017659	ACRSECHXOOJSRD-UHFFFAOYSA-N	405.457	5.569	30	20	HKED	
CCC(CC)c1cc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)on1	460336691	VFNRFJWZBURTFN-UHFFFAOYSA-N	407.445	5.311	30	20	HKED	
CSc1cccc(NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)c1	463230781	SYYYJOXNMHBBRX-UHFFFAOYSA-N	407.470	5.262	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cc1	464444696	DYVXAPVBRRABLZ-MRXNPFEDSA-N	412.420	5.210	30	20	HKED	
N#Cc1cc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1F	468627667	BEIKFGUYNNPWDI-UHFFFAOYSA-N	410.257	5.258	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(F)ccc3OC(F)F)cc2)cc1	470100780	FOUFYCDARXHORT-UHFFFAOYSA-N	412.367	5.538	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	474772978	ZNYXUONWZVXGTP-UHFFFAOYSA-N	415.493	5.621	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC(C)C)C(=O)Nc1nccs1	475565982	YNLKSSQOPYUOGC-GOSISDBHSA-N	414.575	5.170	30	20	HKED	
CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](C)C1	476794953	OAVJLZTVWHXEOZ-HYVJGQCMSA-N	424.976	5.189	30	20	HKED	
CC(C)CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCc2cccnc21	480556928	SFBZFNGRLCFCGI-NQIIRXRSSA-N	422.598	5.901	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	482863919	VENPLBONQZRKMX-CQSZACIVSA-N	419.428	5.739	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1nccc2ccccc12	483219394	SUAPQJFNHFCCQW-GOSISDBHSA-N	421.378	5.707	30	20	HKED	
CN(C(=O)CC(C)(C)C(F)(F)F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	484083917	UETBYHZUBHREPM-GFCCVEGCSA-N	409.292	5.746	30	20	HKED	
C[C@H](SCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(Br)c1	487897229	MMJPIMMKISUYGO-LBPRGKRZSA-N	400.301	5.365	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)cc1Cl)C1CCCCC1	488677435	ROSATMMJCMICBE-UHFFFAOYSA-N	413.880	5.008	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1cccc(F)c1F	490359930	BRNSRJSXUCJSIQ-UHFFFAOYSA-N	421.447	5.088	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CC#N)c3ccccc3)c3c(C)noc3n2)c(C)s1	497351765	AGVFQEGFRUDDLL-UHFFFAOYSA-N	402.479	5.047	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)c1ccccn1	505306873	YBYODIRYJJGTMC-QGZVFWFLSA-N	406.470	5.397	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)s2)cc1	509575671	QAKCDMMHUZZHSG-QGZVFWFLSA-N	419.550	5.612	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cc1	509907501	GSELLFRPYJKXPV-FQEVSTJZSA-N	403.526	5.202	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-]	510258304	YDMZZFDDQGZVCE-UHFFFAOYSA-N	419.462	5.298	30	20	HKED	
N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1	512613073	JAIOTYHPRFIMFT-UHFFFAOYSA-N	421.850	5.081	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)n1	513686762	FRBUJMPVNKGVBW-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1	515219172	IVCFQIUFJJAZJZ-UHFFFAOYSA-N	401.304	5.234	30	20	HKED	
CCc1nc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1	517868771	LYJBFXYQWVDENL-IBGZPJMESA-N	424.957	5.678	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc(C)nc21	518709299	RWKVDLYAFQHZHL-IERDGZPVSA-N	403.530	5.003	30	20	HKED	
C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(-c2ccc(OC)cc2OC)n1	518822970	MVNYDYBBWVTNKS-UHFFFAOYSA-N	412.467	5.043	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1Cl	520786901	NEHQHEBSMAFJRY-UNMCSNQZSA-N	422.960	5.088	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c1	521608228	XJLZLOBNWSMDJV-QHCPKHFHSA-N	420.509	5.980	30	20	HKED	
COc1cccc(-c2nc(CN(Cc3ccc(C#N)cc3)CC(C)C)cs2)c1OC	521823410	UIEWBZGHTLVLIZ-UHFFFAOYSA-N	421.566	5.357	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)sc2C)cc1	522828645	SILBWQPYDSUYDF-SFHVURJKSA-N	401.491	5.407	30	20	HKED	
CSc1cc2c(cc1NC(=O)c1cccc(Nc3ccc(C#N)cc3)c1)OCCO2	523152065	OMMBGPZGKBTBFK-UHFFFAOYSA-N	417.490	5.047	30	20	HKED	
CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1)C1CC1	523230325	XRBWUIHMVLTTGK-JOCHJYFZSA-N	415.562	5.593	30	20	HKED	
C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	523455151	CHHJSPDCEIXPCK-INIZCTEOSA-N	401.441	5.641	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)s1	525026900	IOWFVYBNECEYLT-UHFFFAOYSA-N	418.305	5.929	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Oc2ccccc2Cl)nc1	530836975	UYDPYVGKVKPCRI-UHFFFAOYSA-N	409.898	5.785	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(Cl)c1Cl	532723439	JPUXZMQUYWEUPZ-CYBMUJFWSA-N	408.354	5.909	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](C)c1cnn(C(C)C)c1)c1ccc(C(F)(F)F)cc1	532726040	MUFDERSQMDOWBP-DNVCBOLYSA-N	408.468	5.551	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)OCC	535957727	BGVRYYJXICVCPR-FQEVSTJZSA-N	411.889	5.385	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC1CCCC1	541280865	HWEVRLSBSLNOPN-INIZCTEOSA-N	410.539	5.521	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(OCC2CC2)c(Cl)c1	542212398	BYQSOEKSKCNTPB-ZDUSSCGKSA-N	401.919	5.028	30	20	HKED	
CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C)cs1	543889885	HJRDFQGKJULDIW-HRAATJIYSA-N	404.539	5.502	30	20	HKED	
N#CCC1CCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	548695181	SNOFYTXCCLEKQI-OAHLLOKOSA-N	407.358	5.034	30	20	HKED	
Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)cc1NC(=O)Nc1ccccc1	550743306	GNMCPDTWSLJBNN-XMMPIXPASA-N	404.514	5.231	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(Cl)c1	551418997	JMUQLMLFTTUEFL-HXUWFJFHSA-N	408.851	5.488	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1OC	558339965	BMTHLGXCGAYJNQ-GOEBONIOSA-N	413.543	5.289	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(-c2ncco2)c1C	563902845	PMUKEBMQWCIKIX-UHFFFAOYSA-N	403.482	5.079	30	20	HKED	
CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	573242235	GCNLTWXYVNBUCN-WXHSDQCUSA-N	421.303	5.746	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N(C)[C@H](C)c1ccccc1F	580978972	FBOVFYCUVQYMOM-MRXNPFEDSA-N	412.534	5.102	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](NCc1cn(Cc3ccccc3)nc1-c1ccccc1)CC2	589337084	DPKYQAOCUVIXQK-SANMLTNESA-N	404.517	5.247	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(C#N)cc2C(F)(F)F)ccc1OC1CCCC1	589504852	ORXCRGZUWQKQQO-OAHLLOKOSA-N	418.459	5.758	30	20	HKED	
N#Cc1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)n1	589773832	KRBARXIDFIIGPH-UHFFFAOYSA-N	402.504	5.032	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nc(CC(F)(F)F)cs2)cc1	590531858	QNJMKKHRMMGKMY-UHFFFAOYSA-N	421.375	5.303	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2)CC1	591561664	DMUTYYKYXYNQJT-IMRBUKKESA-N	412.349	5.024	30	20	HKED	
COc1ccc(-n2c(Sc3ccc(C#N)cn3)nnc2-c2ccc(Cl)cc2)cc1	602374574	QANOSSTYHGIQNZ-UHFFFAOYSA-N	419.897	5.014	30	20	HKED	
COc1ccccc1Nc1nc2sc(C(=O)Nc3ccc(CC#N)cc3)cc2s1	603786978	IKZWNGCFTRQAQF-UHFFFAOYSA-N	420.519	5.428	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc(-c2ccccc2)cc1C#N	603969117	DOFQDRMUULRJIV-ZDUSSCGKSA-N	409.492	5.314	30	20	HKED	
COCCn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc21	604458625	SGESXPIGRLBBTK-UHFFFAOYSA-N	411.461	5.204	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)cc3nc[nH]c23)cc1Cl	609164506	PGZXZXVAHHZORD-SFHVURJKSA-N	404.832	5.263	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc2ccccc21	609173149	PLNUNONDKKOBEU-UHFFFAOYSA-N	424.435	5.007	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1	609427565	KKUNPALPDAMOCG-AWEZNQCLSA-N	409.536	5.465	30	20	HKED	
N#Cc1ccc(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1C(F)(F)F	609448998	OOGMETDCZSZIFS-IBGZPJMESA-N	419.834	5.183	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2oc3ccccc3c2C)cc1C	609663549	JTIUIDPUUZWOCP-UHFFFAOYSA-N	412.493	5.065	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C#N)cc1F	609724116	IZAFMKZCAISZQR-UHFFFAOYSA-N	405.816	5.291	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1	610069474	NEBLFSVWQVVTMJ-IBGZPJMESA-N	415.468	5.208	30	20	HKED	
COc1cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)ccc1OCc1ccncc1	611391104	SXFYYGUPQZMHJR-KOSHJBKYSA-N	413.521	5.269	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCCC	613392206	MIBKOZGEVACZLL-LJQANCHMSA-N	420.534	5.878	30	20	HKED	
Cc1ccc(-n2c(S[C@@H](C#N)c3ccc(Cl)cc3)nnc2-c2ccncc2)cc1	619863656	GYZJXBCFWBDRSL-FQEVSTJZSA-N	417.925	5.648	30	20	HKED	
C=CCN(C(=O)c1cc2ccccc2cc1OC)c1nc(-c2ccccc2)cs1	641902360	WBJRPJOEIAKGLY-UHFFFAOYSA-N	400.503	5.805	30	20	HKED	
C[C@@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F	674513872	SNLDDUXUWFVCDH-UTLUCORTSA-N	418.328	5.235	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)s1	683362251	AJKURNLFNRSVKD-UHFFFAOYSA-N	407.564	5.324	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)O[C@H](c3ccccc3)c3ccccn3)o2)cc1	727987880	MFPQIMCSXOGHFX-XMMPIXPASA-N	410.429	5.072	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(Nc3nc(C)cs3)c2)c1C#N	729335004	SMZZVYNZCYWZTA-UHFFFAOYSA-N	421.551	5.313	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1SC(F)F	731028652	NSOCGCMDCGUQEX-CYBMUJFWSA-N	407.511	5.304	30	20	HKED	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	733095415	GYCSHDAUYHNVDX-MGPUTAFESA-N	408.860	5.541	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC)[C@@H](CC)c2ccccc2)ccc1OC	733656795	PJAGZFUHRHDRSL-SFTDATJTSA-N	409.530	5.059	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)[nH]c12	735791394	XWGINSWLDMUOAY-INIZCTEOSA-N	406.898	5.067	30	20	HKED	
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	736158171	JHYLOVDPKWDWIO-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(Oc3nccs3)c2)c1	736478186	DKJLXIJCXJYLKV-UHFFFAOYSA-N	400.459	5.357	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2C)cs1	739423781	CSSRGGKOPVGLEB-YRNVUSSQSA-N	421.478	5.249	30	20	HKED	
Cc1ccc(N=Cc2cc(Br)ccc2O)cc1OCC1CCOCC1	741165532	NOHOSTUFBCMIKP-UHFFFAOYSA-N	404.304	5.019	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1	741563643	HQDZEWYBKNGTAS-WBVHZDCISA-N	404.432	5.196	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	741643204	VGJSGWAKSFIFNR-UHFFFAOYSA-N	419.412	5.010	30	20	HKED	
CSc1cccc([C@@H](NCc2ccc(OCC#N)cc2)c2cc(F)ccc2F)c1	742263591	RPBZVUUBACUQSR-HSZRJFAPSA-N	410.489	5.468	30	20	HKED	
COc1ccc([C@@H](Nc2snc(Cl)c2C#N)c2ccccc2Cl)c(OC)c1	742426669	NNNKIASIXUKXKW-KRWDZBQOSA-N	420.321	5.540	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	744935924	JQLKFVMKTJXHLX-CYBMUJFWSA-N	416.289	5.078	30	20	HKED	
C[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2o1	746565264	WFRJDTKNBFLZOX-KRWDZBQOSA-N	411.461	5.220	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1coc2ccc3ccccc3c12	749361149	INGIULKKOUGWRG-UHFFFAOYSA-N	405.457	5.264	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2C)cc1C#N	752258543	GAAVWCBBNWAFOS-UHFFFAOYSA-N	406.364	5.098	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2Br)c1	756866069	UWIPOUWEQBJPCS-UHFFFAOYSA-N	415.234	5.138	30	20	HKED	
C#CC[C@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	757887237	TZMXTGDJAWKAIV-NGQVCNFZSA-N	416.546	5.022	30	20	HKED	
C=C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	759205454	JJXJEVBAQCHCPD-SIKLNZKXSA-N	410.473	5.486	30	20	HKED	
C[C@@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Cl)s1	764750019	FDHRBBHGRJCBKU-RXMQYKEDSA-N	404.706	5.219	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1	766376507	WQJCHYUMHRHZPP-WFASDCNBSA-N	404.885	6.095	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)c2)cc1	766603762	IFVOJWUQFJRZIT-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CCOc1c(Cl)cc(NCC(=O)Nc2ccccc2SCC#N)cc1Cl	767640803	XQORMPROBIFIEJ-UHFFFAOYSA-N	410.326	5.058	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(Br)ccc2F)cc1	771248291	BVDHEQFGXPXYBK-FQEVSTJZSA-N	423.285	5.425	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@H](C)c2ccc(OCC#N)cc2)CCC3)cc1	772960849	WRZACUYMQBYKPV-IIBYNOLFSA-N	419.550	5.449	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2sc(Cc3ccccc3)nc2C)c1	772984240	ONPCZEFBQSCULD-DYESRHJHSA-N	405.567	5.574	30	20	HKED	
Cn1ncc(Br)c1/C=C(/C(=O)c1ccccc1)c1nc2ccccc2s1	782301780	MMWBEVWBNXHZJO-KAMYIIQDSA-N	424.323	5.216	30	20	HKED	
C[C@H](NC(=O)Nc1cccnc1Br)c1ccc(-c2cccc(C#N)c2)cc1	782589027	YPKYGJRUMZPFPG-AWEZNQCLSA-N	421.298	5.265	30	20	HKED	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(-c2ccccc2C#N)cc1	789366671	URSPBVYRXOTHGQ-IBGZPJMESA-N	411.505	5.375	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)n2)cc1	789406545	VTTJZSWARAZMDN-ACBHZAAOSA-N	423.582	5.016	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)cc1	789649318	NAPAGPMXZYAIAF-QFBILLFUSA-N	421.440	5.224	30	20	HKED	
N#C[C@@H](C(=O)CCc1cnc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	796632975	GNIFKUSKRQZMOY-IBGZPJMESA-N	417.921	5.821	30	20	HKED	
C#C[C@@H](N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1F	809700077	XETLMBQPQQTOMG-YVEFUNNKSA-N	412.814	5.179	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C/C(C)=C/c1ccccc1OC(F)F	811692374	FAWZNYRLUNBPRR-RKZGRAQHSA-N	401.409	5.097	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(N2CCCOC2=O)cc1	815636673	YUTKPMIZRSFWJK-FMGIXGHUSA-N	403.526	5.088	30	20	HKED	
C[C@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	915101274	GFDXNKSNVPKVPN-WFASDCNBSA-N	400.862	5.246	30	20	HKED	
FC(F)(F)c1ccccc1NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1	916260126	YHAJZHBWHGUKRT-UHFFFAOYSA-N	407.399	5.399	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C	916923179	LPWFMPVFMSNYRQ-IBGZPJMESA-N	412.445	5.254	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(F)c(Cl)c4)cc3c2C1	916937569	GAVZXUBAYPCUPY-SJCJKPOMSA-N	423.875	5.046	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	916945973	GYHPCNPHLYTLOQ-RULNRJAQSA-N	407.219	5.009	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C)o3)n2)cc1	916951238	XYPXZUFMESXTGD-AUUYWEPGSA-N	421.522	5.115	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3)n2)cc1	916954561	IZYWNTZRYDAUAM-KXBFYZLASA-N	403.507	5.285	30	20	HKED	
CCC[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	917042853	HZFAQZGRPIESHX-JKSUJKDBSA-N	402.441	6.075	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1	918127888	PIDWTZIMVIMJNB-LJQANCHMSA-N	403.844	5.868	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1	920106448	ZIWBFEFAUMEORE-INIZCTEOSA-N	419.893	5.459	30	20	HKED	
Cc1ccc(C)c(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920140443	HDSIBLGHMJRYSB-HXUWFJFHSA-N	413.502	5.138	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NOCc2ccccc2)cs1	920376207	VGACCXUVDUFQTC-UHFFFAOYSA-N	419.428	5.397	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(O)nc4c3CCCC4)cc2Cl)cc1	1543396026	MPHGYNNJPCMNKM-UHFFFAOYSA-N	419.868	5.236	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1	1791249964	FBOBVYTVOKPOLX-KRWDZBQOSA-N	401.510	5.128	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1	1791251896	XZBHGJKEDPTZQE-HJPURHCSSA-N	402.485	5.078	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4cccc(Cl)c43)CCC2)cc1	1791589275	RRHNCWDUVVUQKM-IBGZPJMESA-N	408.929	5.080	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C2	1798333517	GSUZNFCITHUCRU-FCGDIQPGSA-N	414.615	5.066	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1824141124	RZAXWOHMOFPASJ-DEOSSOPVSA-N	414.634	5.345	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CCC)cc2)CC1	1832029546	GVUIBBHGVOZKGK-VWLOTQADSA-N	422.613	5.066	30	20	HKED	
CCSc1nnc(/N=C(\O)c2ccc(-c3nc4ccccc4s3)s2)s1	21280470	MXYXWPNXEQWRAH-UHFFFAOYSA-N	404.567	5.625	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1	28373713	QSNYLQFWUJAFRV-XMMPIXPASA-N	413.521	5.597	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1-c1ccc(OC)cc1	32326480	XFIQRNAEMIKZLA-UHFFFAOYSA-N	424.551	5.457	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)[C@H](C)c1ccc(C#N)cc1	45499800	IHYILMVVSTUZBP-OAHLLOKOSA-N	409.942	5.487	30	20	HKED	
N#Cc1ccc(CSCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1	46865990	VKPQTPFKBPSWDQ-UHFFFAOYSA-N	400.547	5.130	30	20	HKED	
C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	71922635	JZONOVGXVSQZPV-HXUWFJFHSA-N	413.521	5.474	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc(OCCCC#N)c1	237341423	HEBLIBRCFQJFBJ-HNNXBMFYSA-N	405.420	5.217	30	20	HKED	
C[C@H](Nc1ccc(C#N)c(N[C@@H](C)c2nc3ccccc3[nH]2)n1)c1nc2ccccc2[nH]1	302859260	UEDOMYAZEKISFM-GJZGRUSLSA-N	422.496	5.052	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1	303373519	KPRMYIWWGMXEBG-ROUUACIJSA-N	421.566	5.849	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCCCC[C@@H]3c3ccncc3)c2)cc1	303631967	OYXJKDLYZMKTEP-RUZDIDTESA-N	411.505	5.290	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3cccc(F)c3C#N)CC2)n1	428987891	YUWKECXZSNAJOW-UHFFFAOYSA-N	407.514	5.209	30	20	HKED	
CC[C@@]1(CO)CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	429170183	JZWSTBZUSVKYKX-NZQKXSOJSA-N	411.933	5.012	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433611790	AXJMTWKXBPSHPB-HNNXBMFYSA-N	408.317	5.131	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	433799094	OFWQVQBDGZVLSQ-UHFFFAOYSA-N	416.428	5.364	30	20	HKED	
C=CCN(C(=O)[C@H]1CCOC[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	435662174	IJVYCPGJLJKATG-OCCSQVGLSA-N	411.354	5.309	30	20	HKED	
Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OCC(F)(F)F)c1	437820859	KJKXDCMQIPGPAY-IEBWSBKVSA-N	417.431	5.240	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3coc(-c4ccccc4)n3)cc2)c1	438047168	BZOIFUUOYXKROI-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1F	438663501	IFSBZAHIOAOHKA-CQSZACIVSA-N	423.419	5.520	30	20	HKED	
COc1cccc([C@H](C)CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	439796856	YNUBIKZEHIBKHO-MRXNPFEDSA-N	401.466	5.195	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	439853043	QHRUXFJUQGNYJK-UHFFFAOYSA-N	423.394	5.390	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3cccc(C#N)c3F)C2)n1	447389806	AWZPNJVJOOUIGR-GOSISDBHSA-N	407.514	5.209	30	20	HKED	
COc1cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1C(F)(F)F	448081162	QVKPUIFYECMYSM-UHFFFAOYSA-N	424.263	5.063	30	20	HKED	
N#Cc1cc(NCc2nc(C3CC3)no2)ccc1Oc1ccc(C(F)(F)F)cc1	462186348	FQCSPGQLMDAPPV-UHFFFAOYSA-N	400.360	5.242	30	20	HKED	
Cc1sc(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c(C#N)c1C	463072414	VDUBIIZBFOTRPT-UHFFFAOYSA-N	417.506	5.555	30	20	HKED	
C[C@H](C(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@@H]1C)c1cccc(C#N)c1	464047941	YSPIZGUCQGGMIS-PMACEKPBSA-N	423.516	5.020	30	20	HKED	
Cc1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(C2CC2)n1	466435030	VPLZIUHAGWUARV-UHFFFAOYSA-N	404.857	5.232	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	471254905	YBXHAHCNIYCMLA-UHFFFAOYSA-N	413.521	5.858	30	20	HKED	
COc1cc(CSc2c(OC)cccc2OC)ccc1OCc1cccc(C#N)c1	473786519	PHXLCIBWLDECEY-UHFFFAOYSA-N	421.518	5.455	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1	475572375	JINVLBGYZMPXQW-NRFANRHFSA-N	408.542	5.925	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](c1ccccc1)C1CCCC1	476365616	OSQCGZHMUGILNP-KOSHJBKYSA-N	407.583	5.398	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2)[nH]1)c1nc(-c2ccc(Cl)cc2)cs1	477784763	AYEIZPLDYNPTME-KRWDZBQOSA-N	403.894	5.949	30	20	HKED	
COCCC[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1	478175287	XTVGTAABWAJHAD-MRXNPFEDSA-N	406.313	5.197	30	20	HKED	
CC(C)(O)COc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1	479598337	AKCTXKNPDJXILC-UHFFFAOYSA-N	418.518	5.111	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1	480835738	CKWCLYDTPWQIDK-NQIIRXRSSA-N	407.514	5.099	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3csc(-c4cccc5ccccc45)n3)nc12	480942653	PXJIEDKHCJAZAP-QGZVFWFLSA-N	409.474	5.033	30	20	HKED	
CC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	482272472	RUVWRQFNYHGFHQ-UHFFFAOYSA-N	423.284	5.083	30	20	HKED	
C=CCN(C(=O)c1ccnc(C#N)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	483072158	JIPZRACJWODVAP-UHFFFAOYSA-N	422.513	5.577	30	20	HKED	
Cc1nn(-c2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)c(C)c1Cl	487448472	PBISMOHIRINJBG-NRFANRHFSA-N	406.917	5.308	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC12CCC(C(F)(F)F)(CC1)CC2	488336598	ZSRCMPBUKCFKAF-YCMKEVRSSA-N	411.493	5.858	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N	488777118	FOWKDDAKQJDOAF-OLZOCXBDSA-N	407.461	5.605	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1	498245794	YWODJAQUUGDAOP-GPXNEJASSA-N	418.443	5.028	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1)c1ccccc1	502424460	KZRXRHFYMGLQJL-OAHLLOKOSA-N	422.435	5.977	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2CCC=C)o1	504288393	DYMVKTSPUMOFCO-UHFFFAOYSA-N	414.505	6.021	30	20	HKED	
Cc1nc(NC(=O)CSc2cc(Cl)ccc2Cl)sc1SCC#N	504700388	MUFBPVGUXYKYSB-UHFFFAOYSA-N	404.369	5.105	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1	505531858	GYTIVLBWXLLKHW-MRXNPFEDSA-N	422.287	5.112	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1ccccc1	505882699	ILRNYETUNQVQDU-INIZCTEOSA-N	409.383	5.323	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)ccc1OCc1cccnc1	506321563	QRQSAFGJJOBNCA-QFIPXVFZSA-N	405.885	5.067	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1	507266545	JJAMPGKFDFJTSG-UHFFFAOYSA-N	424.504	5.249	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(C(=O)Nc4cc(C#N)cn4C(C)(C)C)CC3)c2c1	508100095	SIBQIGHCBIEPQU-UHFFFAOYSA-N	419.529	5.016	30	20	HKED	
N#CC1CCC(CNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CC1	508360183	JNEHPEJJFQBWNT-CPAJTMIGSA-N	400.494	5.244	30	20	HKED	
C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1	508863547	KKCQBUSGMMWBIJ-UHFFFAOYSA-N	424.961	5.106	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510214473	YDMDRTWEXVPRGR-QGZVFWFLSA-N	415.562	5.864	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c(Cl)c1	513201946	RJZJTFQWKAJEGF-MRXNPFEDSA-N	405.885	5.752	30	20	HKED	
CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1	518155895	OJGJUTDSTOHKIJ-VGSWGCGISA-N	423.582	5.171	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1C	519839306	CIKLUSXALWOOMM-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1c2ccccc2CC12CCOCC2	519860682	SEIHPXCYVTZIBY-DEOSSOPVSA-N	404.554	5.754	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1ccccc1Cl	520855225	FFYCUXOYSAAGBS-HNNXBMFYSA-N	403.935	5.134	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCC#Cc3ccccc3)s2)cc1	524150166	URGZCFDGDQVEDD-IBGZPJMESA-N	403.551	5.181	30	20	HKED	
C[C@@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(C#N)cc1	525248967	KMMYRDLPMFFDHR-QZTJIDSGSA-N	401.485	5.290	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(CN(C)C)c1	531120640	TXYLKBOQJUXMSU-UHFFFAOYSA-N	401.535	5.332	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	535175881	VKJGQEQJKJDNIW-INIZCTEOSA-N	423.538	5.452	30	20	HKED	
C=CCCOCCNC(=O)c1ccccc1SCc1ccc(Br)cc1	536065365	WKVQXUBGEYIEAZ-UHFFFAOYSA-N	420.372	5.064	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1Cl	536384548	ZDCLMLSDKKMZIW-IBGZPJMESA-N	405.816	5.138	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC[C@@H]3c3ncc(-c4ccc(Cl)cc4)[nH]3)cc2)CC1	540821282	QSLHAHJVNJOXDV-OAQYLSRUSA-N	416.912	5.263	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@H](c3ccc(Cl)cc3)c3ccsc3)CC2)cc1	540985031	CRBDXPRDFNRFQC-XMMPIXPASA-N	421.997	5.617	30	20	HKED	
C[C@H](N[C@H](C)c1nnc(-c2cccs2)o1)c1ccc(-c2cccc(C#N)c2)cc1	541086969	SOQLYUCBVWBABK-JKSUJKDBSA-N	400.507	5.749	30	20	HKED	
Cc1ccccc1C1=CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	542946114	GNCHXSVHXLDKKH-UHFFFAOYSA-N	423.516	5.571	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1	543966039	CRLHLVUPEVYDAT-GGAORHGYSA-N	413.525	5.128	30	20	HKED	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCOCCC#N)nnc1-c1cccs1	549013558	ZDRUUMZAYNJZGR-LTIDMASMSA-N	402.589	5.026	30	20	HKED	
CCc1ncnc(CC)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	549376374	KEEZWYOVPVZEQC-SFHVURJKSA-N	404.901	5.163	30	20	HKED	
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C	549901618	FIHKBJNHVWFNMO-UHFFFAOYSA-N	405.523	5.028	30	20	HKED	
COc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C(F)(F)F)c1	551333833	ZZHDSTQJMOUMKK-UHFFFAOYSA-N	416.355	5.010	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(F)cc(Br)c1	553071703	WETICMLSGIHTFR-LBPRGKRZSA-N	422.323	5.162	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21	554445706	VRHRYOBKENXXAK-RQGSJKACSA-N	405.567	5.881	30	20	HKED	
N#CC1(N(C(=O)c2oc3ccccc3c2CSc2cccs2)C2CC2)CCC1	556440095	QUQVYXDMIOJFMP-UHFFFAOYSA-N	408.548	5.837	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1oc2ccc(CCC(C)=O)cc2c1C	557601946	METAZXPZIABDNR-UHFFFAOYSA-N	421.541	5.259	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1	558387983	BDLNUAZRJQKJRS-KRWDZBQOSA-N	408.351	5.388	30	20	HKED	
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	559861728	DGNVNMRNHRIMDG-AUUYWEPGSA-N	414.393	6.810	30	20	HKED	
N#CC[C@H](Cc1nc(C2(c3cccc(Br)c3)CC2)no1)c1ccccc1	561928239	FJDUGFLQNYUPSH-MRXNPFEDSA-N	408.299	5.152	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	562085706	WUJWRHRLZTVBNJ-UHFFFAOYSA-N	422.407	5.002	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C1CC1	562877822	HBIMPHQNNQPHOD-UHFFFAOYSA-N	415.497	5.724	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)c2ccccc12	567419948	ZRYWIHBZJFRCKC-LLVKDONJSA-N	422.344	5.566	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2(c3cccc(C#N)c3)CC2)c1	583279412	XOGBFAVOMCRNID-UHFFFAOYSA-N	409.917	5.005	30	20	HKED	
C=CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	584807632	IFAQBCYZLYGJAD-QGZVFWFLSA-N	407.568	5.068	30	20	HKED	
CCO[C@H](c1noc(/C=C/c2ccccc2C#N)n1)c1ccc(F)cc1C(F)(F)F	589155338	OIVBTJORKHEWNM-VQFGERMISA-N	417.362	5.395	30	20	HKED	
COc1c(Cl)cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Cl	609058946	CXSYBHLKGONXAY-UHFFFAOYSA-N	417.248	5.298	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc4cccnc34)cc2Cl)c1	609063224	RDIVWFOOARGYBA-UHFFFAOYSA-N	413.864	5.591	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	609097894	MQVHJFLDYSNVCW-RUZDIDTESA-N	422.488	5.138	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cc2)n1	609098811	OHAHZKXFRQJRQJ-HXUWFJFHSA-N	420.563	5.082	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c(C)c2c1	609294624	UXVWWYCGBUIYDG-SFHVURJKSA-N	419.525	5.550	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	609385638	DHPKERQKPNZNQY-GHTZIAJQSA-N	423.582	5.255	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](c4ccco4)C3)cc2Cl)cc1	609553884	KXAGLULUJZABDL-INIZCTEOSA-N	407.857	5.618	30	20	HKED	
COc1cc(CSc2ncc3ccccn23)ccc1OCc1cccc(C#N)c1	609722016	UYSFIBRELREGHB-UHFFFAOYSA-N	401.491	5.086	30	20	HKED	
N#Cc1c[nH]c2ccc(Cl)cc2c1=NCc1cccc(COCc2ccco2)c1	610273257	IKGXHBSZBQRFAN-UHFFFAOYSA-N	403.869	5.104	30	20	HKED	
C[C@@H](Sc1ccc(Cl)cc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	610654972	LJFLZWURXMPWTL-SNVBAGLBSA-N	413.911	6.035	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl	611096891	QJWWKBCDZJIWQA-NSHDSACASA-N	416.333	5.788	30	20	HKED	
N#Cc1cc(CN[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)ccn1	611392757	JJGLQXCAWTYXPO-NRFANRHFSA-N	400.284	5.473	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nc2ccccc2o1	614439830	MNCKUDADHMYIDV-GOSISDBHSA-N	424.485	5.258	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnc2ccccc2c1C(F)(F)F	615081417	FOCAPGJYNMVBOQ-UHFFFAOYSA-N	400.400	5.091	30	20	HKED	
Cc1cc(Cl)c2ncc(C#N)c(N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2c1	619792470	AAWXXCAHGWMKCI-TXEJJXNPSA-N	407.745	5.245	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)ccc1N1CCCCC1	672654083	CHGHLTPDBLLJQP-UHFFFAOYSA-N	413.541	5.204	30	20	HKED	
CC(=O)c1cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	672775299	QJGYJVKEYUPYFM-IAZYJMLFSA-N	414.321	5.059	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(CC(=O)N(CC)c3ccccc3)cc2)c1	726469967	SRPZFELQDBPEEE-UHFFFAOYSA-N	413.546	5.072	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(N4CCOCC4)cc2)CC3)cc1	727655439	WUOIWQOEEWJYRZ-CAPFRKAQSA-N	416.546	5.168	30	20	HKED	
C#CC[C@@H](OC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccccn1	727775645	MYDGCDRHWBTGLL-XMMPIXPASA-N	412.464	5.609	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728667793	BFSOKDPUUNKXIW-SFHVURJKSA-N	414.461	5.151	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730416213	BUOAEIAGUIVKDM-PGRDOPGGSA-N	402.450	5.432	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	730420854	HPQLAIAXWIUIST-SFHVURJKSA-N	408.498	5.617	30	20	HKED	
C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	731254111	HCDKKMFKLMHWLQ-HNNXBMFYSA-N	419.308	5.325	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Br)cc1F	732030259	XMVAMELHKYMLCK-UHFFFAOYSA-N	409.258	5.057	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(C(C)C)sc3c2)c1	733844932	YTFYMLVBKPWJKQ-QGZVFWFLSA-N	408.527	5.422	30	20	HKED	
C=CC[C@@H](NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccncc1	734361366	UATHYIXMWHJJFH-HSZRJFAPSA-N	413.496	5.735	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccncc1	734663443	MPLVWMZNZKDILT-DHIUTWEWSA-N	407.464	5.260	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccncc1	734669497	QLUBFCKIVOGHIZ-ILBGXUMGSA-N	413.521	5.113	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(-c2ccco2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S	739841728	PHNAUVKVPUYTSZ-VJANTYMQSA-N	413.591	5.253	30	20	HKED	
COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1OC	740764541	YBYJAWYPTCSZQJ-KHPPLWFESA-N	410.901	5.115	30	20	HKED	
COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(SC)c(F)c3)cs2)cc1	741848336	YCUJLKFTYHQIFN-RUDMXATFSA-N	415.511	5.488	30	20	HKED	
C[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1cccc(C#N)c1	743777235	QRHFIZRDFPSSPF-SNVBAGLBSA-N	419.731	5.680	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C\C(=O)c1cnn(C(C)C)c1	746686889	OMQIVRKHPPASLV-FPLPWBNLSA-N	422.838	5.526	30	20	HKED	
COc1ccc2cc(/C=C(/C(=O)Nc3cccnc3)C(=O)c3ccccc3)ccc2c1	747127775	KOIDKTPIYUJMSX-BUVRLJJBSA-N	408.457	5.148	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(F)cc1F	752477428	QBJOBYADRFRTHV-ZBEGNZNMSA-N	424.419	5.121	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C)c2cc(Cl)cc(Cl)c2)c1=S	754749105	XFSSJMAZGBJBLQ-UHFFFAOYSA-N	406.342	5.063	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1	757778477	NMSRILPIIUEZSY-JOCHJYFZSA-N	423.944	5.289	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1	758584189	KAILENULOOQYOK-CTNGQTDRSA-N	417.465	5.064	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cncc(F)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	759218574	ROXPFULEQQUGHD-FSKAYJOYSA-N	407.514	5.035	30	20	HKED	
C#CCCCSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	766278108	VXGYXOXMUFQIHR-GHRIWEEISA-N	416.955	5.300	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)on1	767982419	OXTDXVXYUATEGK-UHFFFAOYSA-N	415.518	5.077	30	20	HKED	
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCc1ccc(O[C@@H](C)C#N)cc1	770525335	UNPFYRGMRBYWHN-GGPKGHCWSA-N	405.542	5.016	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(F)c(C#N)c3)s2)cc1	770573895	VTFXVETUAAGBDP-YBEGLDIGSA-N	412.877	5.100	30	20	HKED	
Cc1cc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2cc1C	770846384	IGQIMUBCKMEBSQ-CQSZACIVSA-N	401.249	5.318	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](OC(=O)c3cn(CCCC#N)c4ccccc34)CCO2)cc1	774156522	KRJPFDPLGKUHTL-YKSBVNFPSA-N	402.494	5.331	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Br)nc1C	775707811	QWBYUWUOVOVARR-UHFFFAOYSA-N	400.729	5.088	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)c1	776142911	CIGFRCQIDZYOLA-JTHBVZDNSA-N	420.557	5.008	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2ccc(F)nc2)C(=O)c2ccccc2)c(Cl)c1	777467765	KZOTYUWSZKWTPI-LDADJPATSA-N	408.860	5.396	30	20	HKED	
N#Cc1ccc(CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)nc1	782029869	ARANYAVWBQOPEZ-UHFFFAOYSA-N	417.468	5.130	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)c1ccccc1	787042568	XEPDGGLRBUQVAL-KFZAOVKASA-N	414.427	5.085	30	20	HKED	
COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	788080272	BPKCFDJMTCNFTD-BLLLJJGKSA-N	412.898	5.044	30	20	HKED	
CCOc1c(Cl)cccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	791784291	QWROQCHTANVKPO-QGZVFWFLSA-N	421.909	5.153	30	20	HKED	
Cc1ccc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)csc2c1	796634646	JMGIJTTZHDNHEZ-CYBMUJFWSA-N	403.290	5.478	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCC(C(F)F)CC4)c23)cc1	799471987	MFWNRBRYNNMDJS-UHFFFAOYSA-N	402.470	5.590	30	20	HKED	
Cn1cc(Oc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cn1	800843627	CJVPJGFQNBTULU-QHCPKHFHSA-N	408.461	5.120	30	20	HKED	
Cc1cccc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1Cl	810530132	WRZWVTYHWAMFTF-IBGZPJMESA-N	418.880	5.331	30	20	HKED	
CC(C)(C)OC(=O)N1CC[C@H](NC2CCC(C#N)(c3ccccc3)CC2)CC12CCC2	813882387	XVJNBFVXBXCWKP-YGWFNULRSA-N	423.601	5.302	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([S@@](C)=O)cc1	814948762	DMAHFRCPLHXPGP-HHHXNRCGSA-N	408.367	5.298	30	20	HKED	
CC(C)(c1ccccc1)[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(F)(F)F	816002029	JTNDGABASWTEDJ-INIZCTEOSA-N	416.321	5.038	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(CC)cc1	839406338	BZYJWLIHMIMHMK-UHFFFAOYSA-O	415.582	5.580	30	20	HKED	
CCCOc1ccc(C=NOCC(=O)Nc2ccccc2-c2ccccc2)cc1OC	854080488	SSLUYXSOPSIOIU-UHFFFAOYSA-N	418.493	5.140	30	20	HKED	
C[C@H]1Sc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2NC1=O	915087849	AORAOZHBKCESIM-QRWLVFNGSA-N	413.502	5.027	30	20	HKED	
C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C#N)cc2)cc1OCC	916135174	FNJQOKPCPPAYRM-JXMROGBWSA-N	412.283	5.180	30	20	HKED	
CC(=O)Nc1ccc(S[C@H](C)C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1	916881911	SBAZBUKAGUNEFM-MRXNPFEDSA-N	416.502	5.270	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1oc2ccc(Cl)cc2c1C	916904180	XXKBHJWYOOVBEQ-SFHVURJKSA-N	408.885	5.481	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1C	916917274	GPTYWMYTWVNRIY-NRFANRHFSA-N	402.519	5.286	30	20	HKED	
N#C[C@H](C(=O)COc1ccc2c(c1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1	917043346	LAIJYPQRURYOTB-MRXNPFEDSA-N	416.424	5.059	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)n1	918331485	RPHXHRLJTICSPT-UHFFFAOYSA-N	423.563	5.679	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCCC	920105619	BUVQWRANQUULAV-LJQANCHMSA-N	418.493	5.259	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CCCc3nc(O)ccc32)cc1	1624849222	NPXQZJBHHMJHPV-HXUWFJFHSA-N	416.506	5.009	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CCC1	1788835230	YCRBAKYWAFGUDU-UHFFFAOYSA-N	417.534	5.134	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C)CCC3)cc2)c1	1792122252	IAZOLGSJIAEAOH-QGZVFWFLSA-N	403.526	5.107	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C)c3)C2)CC1	1806528837	YSPBIJZQOZAGOP-UHFFFAOYSA-N	424.629	5.151	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1824145211	WBAPFZYMKGFDBG-BVAGGSTKSA-N	412.618	5.121	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1	9790941	BLGVRTDUYBFMRK-UHFFFAOYSA-N	405.228	5.615	30	20	HKED	
CC(C)(C)n1nc(/C(O)=N/c2nnc(SCc3cccs3)s2)cc1C1CC1	50004833	AMTJJWQBRCXGEW-UHFFFAOYSA-N	419.601	5.357	30	20	HKED	
Cc1cc(NC(=O)C2(C#N)CCCCC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1	72030078	PGJXMYVJNGOXSD-UHFFFAOYSA-N	410.827	5.266	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(C)o2)nc2scc(-c3ccc(C)cc3)c2c1=O	108968750	NIWUQPBMSAIWPX-CYBMUJFWSA-N	424.551	5.164	30	20	HKED	
N#Cc1ccc(CNc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c(F)c1	195673380	LFBRKOOWJKMVFX-UHFFFAOYSA-N	413.374	5.581	30	20	HKED	
COc1cc(C)c([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1OC	237285413	SYWSTQTZAVYCCS-IBGZPJMESA-N	416.521	5.314	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	301765416	RZUYVUWMSRJQQH-HNNXBMFYSA-N	406.816	5.972	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1	303416089	WOSQFGVUGHWUBJ-MBOZVWFJSA-N	423.582	5.400	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)cc1OC	303680675	IXZYWBKBACPGCB-SZEUEKNRSA-N	419.525	5.081	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)c3cccc(SCC#N)c3)c2)cc1	429860849	QKLPKLKTTMSLLN-UHFFFAOYSA-N	418.518	5.280	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3cccc(C#N)c3C)oc3ccccc23)s1	432839640	IUHSQYSUIIFMMK-UHFFFAOYSA-N	420.519	5.317	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(Cl)c1	435610665	LQQIICXCYAPYIH-LLVKDONJSA-N	414.840	5.098	30	20	HKED	
N#CC1CCC(CNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1	441145085	VVIRVXJFUJCXHJ-UHFFFAOYSA-N	402.922	5.690	30	20	HKED	
Cc1occc1-c1nnc(S[C@@H](C)c2cccc(C#N)c2)n1Cc1ccccc1	442916066	UROXZXIVBDIUNO-KRWDZBQOSA-N	400.507	5.620	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1	443852543	QQVQEWMPNMTPHN-DEOSSOPVSA-N	424.500	5.015	30	20	HKED	
Cc1cccc(C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	443869398	QBPXWKRYYHFULN-UHFFFAOYSA-N	415.440	5.494	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc2ccccc2n1CC(F)(F)F	447339051	DTVAQTMGWBHLII-UHFFFAOYSA-N	404.285	5.614	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1	460338210	IBUDISDRBWQOHU-QGZVFWFLSA-N	415.880	5.084	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCCOc3cccnc3)cc2Cl)cc1	463172290	MKZOBSYMMABGBY-UHFFFAOYSA-N	407.857	5.197	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464414879	PLQUADQUBZXSIL-INIZCTEOSA-N	407.351	5.399	30	20	HKED	
CCc1cnc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	466334204	GNBMWFXMZSSJFW-UHFFFAOYSA-N	412.902	5.345	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3cnc4ccccc4c3)c2)cc1	470849739	UIOCKEWPKZUJEX-UHFFFAOYSA-N	421.500	5.451	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3cccc(F)c3)c3cccc(Cl)c3)o2)c1	471641816	HAJPJRCWUJKCIU-JOCHJYFZSA-N	418.859	5.280	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	471874507	RSJAFWQLJPIENO-WTIAFYNJSA-N	413.525	5.105	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	475511680	YQCVLHQEQUGTNC-UHFFFAOYSA-N	411.449	5.458	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1	475537447	NQKRQVCIUHXCPY-PZJWPPBQSA-N	400.444	5.847	30	20	HKED	
C=C(C)[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1	475680849	XGUXWEMVBRCPBZ-HXUWFJFHSA-N	417.843	5.034	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	476067158	ZXFWXAHYALWRQH-WVXBCFDCSA-N	416.546	5.162	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1c(F)c(F)cc(F)c1F	477616785	JPWSXLXGDKNUNZ-UHFFFAOYSA-N	403.200	5.116	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nc(C(C)C)cs1	478672992	YMVDWWLTPHFSCY-UHFFFAOYSA-N	420.538	5.347	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(-c2cccnc2)no1	478728113	ZKCZKGKRKORQFX-UHFFFAOYSA-N	417.494	5.137	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(F)c(F)c1	481004431	JVTAIXFRSIFKRL-HSZRJFAPSA-N	420.463	5.319	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(Br)cc2)nnc1-c1ccccn1	481391553	PVPYPGHSOJOEFH-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Cl)s3)cc2F)c1	481625998	NYVJSIIQYFWSHO-UHFFFAOYSA-N	415.877	5.313	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cnn1-c1cccc(Cl)c1	483219716	UWVVTMGBHDCLCK-QGZVFWFLSA-N	415.884	5.082	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)c1ccccc1Cl	483973384	HWJBCRGXGVBRES-INIZCTEOSA-N	400.265	5.205	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2ncsc2c1	485827351	FUELAFITEUJWOR-UONOGXRCSA-N	424.595	5.176	30	20	HKED	
Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3Sc3ccccc3C#N)c12	487326765	ZGXDPNYNIBASLK-UHFFFAOYSA-N	411.530	5.472	30	20	HKED	
CCc1c(NC(=O)Nc2ccc(C#N)c(Br)c2)cnn1C(CC)CC	487900115	SJMASKZWWXSWBS-UHFFFAOYSA-N	404.312	5.085	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1	488279909	DIFZBQPIPDXBEG-OAQYLSRUSA-N	417.509	5.395	30	20	HKED	
N#Cc1cc(F)ccc1CSCC(=O)Nc1cc(Cl)c(Cl)cc1Cl	488557054	SINRRBMUIUGHRI-UHFFFAOYSA-N	403.693	5.529	30	20	HKED	
CC(C)(C)n1ncc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1-c1ccccc1	488785142	RLQJPELZMJUFMX-UHFFFAOYSA-N	410.521	5.106	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(C)cc1	489611314	AJRFLKYKPXJDBG-AWEZNQCLSA-N	409.540	5.404	30	20	HKED	
N#Cc1ccc(Br)c(C[S@](=O)Cc2c(Cl)cccc2Cl)c1	491613659	UAFNDRZHNDZLBE-NRFANRHFSA-N	403.128	5.076	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc2ccccc2n1C(F)F	492083118	SPZZENLXRISYCH-NSHDSACASA-N	400.435	5.106	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC12CCC(C(F)(F)F)(CC1)CC2	494183887	WVMBCNKJZGEVHW-UHFFFAOYSA-N	418.381	5.011	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	499323524	WYNCKGXWIOQQCX-UHFFFAOYSA-N	416.546	5.568	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2nccn2-c2ccc(Cl)cc2)c1C	501548787	GLQOSQHVQQKBKZ-UHFFFAOYSA-N	424.957	5.182	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1	502596982	RWKYNDDIUSWGKN-LJQANCHMSA-N	408.542	5.475	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(Br)c(F)c1	503017104	SHMQUEWAXLDTKG-LBPRGKRZSA-N	407.308	5.164	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	503233540	SCJWPIZBAJJVPB-AWEZNQCLSA-N	423.538	5.508	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cs1	504111388	FFFJAEOVUMGMJY-OAHLLOKOSA-N	404.539	5.802	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	505476507	MANADUQIBSAEQN-IFMALSPDSA-N	406.407	5.530	30	20	HKED	
COc1cccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	508286299	HXRACLWOLHTASK-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1	509538291	NRHAWDBSTZOZBC-CYBMUJFWSA-N	417.273	5.336	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1Cc1ccccc1	510886524	GRBDMLYWVUYEDW-QFIPXVFZSA-N	411.505	5.898	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](c3ccccc3)C3CC3)c2)c1	511459678	GJCOYELRDBZHHB-HSZRJFAPSA-N	410.477	5.083	30	20	HKED	
CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](c1cccc(F)c1)c1cnn(C)c1	515018277	JVIFRVQQPLWIBQ-AREMUKBSSA-N	410.496	5.319	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2[nH]1	516267140	TZZUTOKQYMFBED-LJQANCHMSA-N	401.853	5.285	30	20	HKED	
C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)Nc1ccc(CC#N)cc1	517114464	PTPHYXADFZUCCD-SGTLLEGYSA-N	416.344	5.120	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	518169894	UTZNPXNJLCLMGD-LAUBAEHRSA-N	409.555	5.706	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1	519058135	KWZVIUGIZFTIGG-UHFFFAOYSA-N	411.889	5.458	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCc1cccc(C(F)(F)F)c1	519449823	LLUBKKYJZKUHIB-HNNXBMFYSA-N	421.488	5.711	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1	519989298	MEJGQFKFGTUNCL-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc3cccnc23)cc1	520136027	JZYUMQZLLQINDP-UHFFFAOYSA-N	422.488	5.202	30	20	HKED	
COC(=O)c1c(F)cccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	522639898	IUFRXDKIPCNJBH-UHFFFAOYSA-N	424.815	5.182	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	523011046	AWXOLIIJIQGHDN-JKSUJKDBSA-N	401.963	5.829	30	20	HKED	
CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	524128679	YKQMFFHRBOOTDV-YADARESESA-N	405.542	5.764	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1Cl	525658081	JVNRNMLZRFYLED-NHCUHLMSSA-N	418.949	6.214	30	20	HKED	
COc1cccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)[nH]2)c1	533709953	HZTGBSOFQPBKNI-AWEZNQCLSA-N	406.511	5.040	30	20	HKED	
C=CCn1c(SCc2ncc(C3CC3)o2)nnc1-c1ccc(Br)cc1	534797630	SESWNMANZGBPKC-UHFFFAOYSA-N	417.332	5.051	30	20	HKED	
C=C[C@H](CC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1	536132953	XHNLIMSTSDGTQE-LJQANCHMSA-N	402.469	5.054	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(C#N)cc1	538054947	CRJGUJJJLQYBEU-OAHLLOKOSA-N	401.432	5.227	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	538259293	DKCLEHYDTNYDFX-UHFFFAOYSA-N	409.389	5.238	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1	538825796	TXCQVBLWYNIDMN-UHFFFAOYSA-N	411.553	5.488	30	20	HKED	
N#CC1(CCCNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)CCOCC1	539711636	VKHKJNYHYQFNOA-UHFFFAOYSA-N	422.916	5.588	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1	540534241	KDTMPWBJSRLILY-CQSZACIVSA-N	405.336	5.206	30	20	HKED	
N#Cc1cc(NC(=O)N[C@H]2CCCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1	540637654	GTVBCWXNMYCLFC-INIZCTEOSA-N	419.403	5.060	30	20	HKED	
COc1ccc([C@H](C)Nc2cccc(OCCCC#N)c2)cc1CN1CCCCC1	540726244	NOKDQPHDYXBRTG-FQEVSTJZSA-N	407.558	5.537	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nccs1	541420520	UGCSOVBLOIPBHX-KRWDZBQOSA-N	420.538	5.056	30	20	HKED	
Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1	543349292	JNWLXIGHEABYHF-HXUWFJFHSA-N	401.470	5.089	30	20	HKED	
C=CCn1c(SCc2nc(CCC)no2)nnc1-c1ccc(Cl)cc1Cl	546328077	UNYCKJOEKPUJIT-UHFFFAOYSA-N	410.330	5.066	30	20	HKED	
COc1cc(-c2noc(C3(c4cccc(C#N)c4)CC3)n2)cc(Cl)c1OC(C)C	546934411	FCIGNOYGXBPJFR-UHFFFAOYSA-N	409.873	5.137	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3Nc3ccccc3)CC2)c(F)c1	556933112	NFRGFDRECZOWMQ-UHFFFAOYSA-N	414.484	5.296	30	20	HKED	
N#CCCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccc(F)cc1	558144772	MFPFGBHRHXAGJO-UHFFFAOYSA-N	405.907	5.153	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c(F)c1	558228441	RXJUMYLIPNRFGC-UHFFFAOYSA-N	415.468	5.440	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	565274657	FKMNMAQAKXXUEF-QFIPXVFZSA-N	412.493	5.293	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2)ccn1	582598904	LKQPDPNFWZQIHO-QFIPXVFZSA-N	402.429	5.254	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccco1)Cc1cccs1	584189838	WGINPVZCRQDKII-INIZCTEOSA-N	411.552	5.970	30	20	HKED	
CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603692812	NWVGGVWIMGJEIU-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(Cl)cccc2s1	603738922	IJYWMEPSAVDLNQ-UHFFFAOYSA-N	419.893	6.174	30	20	HKED	
Cc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	603758484	ZLCOYTYAAGBGFZ-UHFFFAOYSA-N	401.413	5.185	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2)cc1	604456966	BSICFTWZCOQJII-DEOSSOPVSA-N	414.461	5.161	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCCC2)cc1	604504146	IBYAQSUZZICZGY-UHFFFAOYSA-N	413.477	5.205	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4ccncc4)c(Cl)c3)[nH]c12	605363332	UWGAYBUHGRDEGS-MRXNPFEDSA-N	402.841	5.202	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1	608803482	JIEMTYSSSLEMBX-QGZVFWFLSA-N	404.466	5.008	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	609060663	JVUQHPQNFISNPX-WOJBJXKFSA-N	416.443	5.753	30	20	HKED	
COc1ccc([C@H](NC(=O)c2cc3ccccc3n2CC#N)c2ccc(C)cc2)cc1	609167177	PUJMHOOMCPPANX-RUZDIDTESA-N	409.489	5.001	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1	609377251	SHGASVLIRNIBKS-AWEZNQCLSA-N	409.536	5.323	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCN(c2ccccc2C#N)CC1	609452052	ILRVULNMVLLHAO-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1	609861959	YFQBAIIEUDXIJA-UHFFFAOYSA-N	404.441	5.415	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)c2)cc1	609987091	AAXNCGBSENXNGI-DHLKQENFSA-N	411.505	5.200	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	613407633	ZYQVBUUFWYHXRL-LYRGGWFBSA-N	409.898	5.034	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOCC2(CCCC2)C1	614160131	FOVTYDATOLNJBZ-UHFFFAOYSA-N	405.498	5.084	30	20	HKED	
FC(F)(F)c1cnc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(Cl)c1	618438400	ZGGUQIDVEVNTTR-YUMQZZPRSA-N	400.672	5.321	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCc1ccc(C#N)c(Cl)c1	619827610	VWYWRADMXYAJSG-UHFFFAOYSA-N	404.901	5.005	30	20	HKED	
O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	676575670	HLTZMELUCMQZOK-IUCAKERBSA-N	413.667	5.172	30	20	HKED	
CC(C)(C)C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F	679305875	JEEOARMOAFPEMQ-KXUCPTDWSA-N	416.328	5.126	30	20	HKED	
O=C(Nc1cc(Cl)c(Cl)cc1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	685018343	BQGSCDSMDRDXTD-WDSKDSINSA-N	413.120	5.337	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cs1	726452549	KDAQPILZAWERCJ-UHFFFAOYSA-N	412.971	5.173	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(N4CCOCC4)cc2)CC3)cc1	727655444	WUOIWQOEEWJYRZ-SILNSSARSA-N	416.546	5.168	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2csc(-c3ccc(C)o3)n2)c1	728182241	DPNKLDPBTYJXLY-UHFFFAOYSA-N	402.475	5.062	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)c2c(c1)C[C@@H](C)O2	728440293	LWYIDDKQPJVBCI-TXNVCOODSA-N	406.450	5.238	30	20	HKED	
C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(CCC#N)CC2CC2)c1=S	728904649	PMTXFBJBBIXCRZ-UHFFFAOYSA-N	409.603	5.148	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)sc2c1	729729424	QSSCVTJVKOECHZ-UHFFFAOYSA-N	419.289	5.184	30	20	HKED	
C=CCN(C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)C(C)C	730903382	LGHAYXDYDNGRTB-UHFFFAOYSA-N	419.447	5.064	30	20	HKED	
N#C[C@H](C(=O)CCc1cscn1)c1nc(-c2ccc(Cl)cc2Cl)cs1	733679752	NOHOKVBOHFWHSK-CYBMUJFWSA-N	408.335	5.382	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	734081561	MZUQTRLNKBQHQY-BLLLJJGKSA-N	416.333	5.567	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)C1CCOCC1	734650959	VJCNBXQXUYIOAE-VGSWGCGISA-N	409.555	5.370	30	20	HKED	
O=[S@@](Cc1ccccc1)Cc1cccc(N=Cc2cc3ccccc3nc2O)c1	734753282	QWQBLODMOTVYHE-LJAQVGFWSA-N	400.503	5.140	30	20	HKED	
N#CCOc1ccc(CNC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	739007672	YXBZPHZDVIDWRD-FQEVSTJZSA-N	417.431	5.045	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNc1cccc(C(F)(F)F)n1	739420973	BFOWXKMZFPAOIO-UHFFFAOYSA-N	414.218	5.347	30	20	HKED	
O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741841134	DAVWKVABHVFFEE-XBXARRHUSA-N	423.239	5.226	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccccc1OCc1ccccn1	745625982	GZSCNPCSLGSBLA-NXVVXOECSA-N	409.489	5.359	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c1	755164073	AGMMDKVOOCDGDP-VWNXMTODSA-N	417.484	5.095	30	20	HKED	
CCN(C(=O)c1ccc(C2SCCCS2)cc1)c1ccc(C#N)c(Cl)c1	755370824	BYZNBZMJGAJAJC-UHFFFAOYSA-N	402.972	5.747	30	20	HKED	
N#CCOc1ccc(CC(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)cc1	755602287	NQBWMQAUMDCLIU-XMMPIXPASA-N	416.908	5.111	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cccc(OC(C)(C)C)n3)n2)cc1	758510283	RFTJGSBMBWGBKX-LJQANCHMSA-N	419.550	5.500	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(SC(F)(F)F)cc1	767212162	KUKBTLHVGDHGOB-UHFFFAOYSA-N	424.473	5.127	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN(C)[C@H]2CCSc3ccc(Br)cc32)cc1	769329756	MPSAESIXJCGIIF-LIRRHRJNSA-N	417.372	5.409	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Cl)ccc2OC(F)F)ccc1OC	772987105	RUJYFDVMDBRYDS-XJKSGUPXSA-N	424.875	5.482	30	20	HKED	
CC(C)N1CC[C@H](NCc2ccc(O[C@H](C)C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1	776946855	CLYWBLDUGVPJJX-UZFJHSOTSA-N	415.940	5.084	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccccc1C#N	777500846	OBJIAFYJLGASKN-FQEVSTJZSA-N	422.554	5.269	30	20	HKED	
Fc1c(F)c(F)c(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(F)c1F	778994384	DQAVMSCXGVHTDY-CQSZACIVSA-N	421.234	5.377	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc(Cl)c1OCCC(C)C	780152951	UVKJVEVBXAQGML-HNNXBMFYSA-N	416.905	5.317	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)Nc1ccccc1O[C@H](C)C#N	780154735	ZOJCOOCZRCPBAK-QGZVFWFLSA-N	402.450	5.421	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cccc(/C=C\C(=O)c3ccc(C#N)cc3F)c2)c(F)c1	781107734	JYNNMLOIPLEQKR-SQXCDDPUSA-N	424.406	5.500	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1	781505771	BHTYFTWICTYLID-GFCCVEGCSA-N	412.864	5.847	30	20	HKED	
C[C@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(-c2cccc(C#N)c2)cc1	782524055	PGJWJTRRIZYDKW-KRWDZBQOSA-N	401.897	5.632	30	20	HKED	
COc1cc(C)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1C	783712313	FJZPCEHRFCTPFH-JXMROGBWSA-N	424.497	5.488	30	20	HKED	
O=C(/C=C/c1ncc(C(F)(F)F)s1)c1c[nH]c2cc(Br)ccc12	788355004	KPVBSDLEYYSVAF-ONEGZZNKSA-N	401.207	5.302	30	20	HKED	
CCOc1c(Cl)cccc1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	791776867	IHUMJXBVNFAQFS-CYBMUJFWSA-N	405.306	5.421	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Cn3ccc4ccccc43)n2)cc1	796887380	HWYHJSRGXFHVQT-OXQOHEQNSA-N	415.518	5.286	30	20	HKED	
CC(/C=C\C(=O)c1cccc(N2CCOC2=O)c1)=C/c1ccccc1C(F)(F)F	799893586	SOWXNJCZUXRIIW-WQJRBICESA-N	401.384	5.504	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1O	811699582	WDONVLAIJCBPGS-LUAWRHEFSA-N	407.853	5.203	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC(C)(C)[C@@H]2c2ccncc2)c1=S	814230578	UEIZUVSZRAESGY-FQEVSTJZSA-N	405.571	5.011	30	20	HKED	
FC(F)Oc1ccc(Cl)cc1C=Nn1c(S)nnc1-c1cccc(Cl)c1	915952100	VYEQCUOYNOOZEP-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
O=C(/C=C\c1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1)c1ccc(F)cc1F	916127675	SVHXITOTNOBAJK-WIZYTBDYSA-N	410.366	6.035	30	20	HKED	
O=C(O)C(=O)/C(=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc2ccccc2n1	916138153	SMQXEIHNQWEHPZ-BOPFTXTBSA-N	420.877	5.206	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccc2ccccc2n1	916848503	CVJXMIYYBVQFPO-HXUWFJFHSA-N	412.876	5.810	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)ccc2c1	917042654	CQAKCMNMBHHQSK-LBESIHQVSA-N	418.905	6.001	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1	920803992	ICZHLXPQVVIZSL-VIIAAUOXSA-N	400.837	5.631	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cscc3C)CCC2)cc1	1791299615	RWOWRDSTYFCBNR-UHFFFAOYSA-N	404.482	5.016	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3OCC)CCC2)cc1	1791730781	VRRDSOGGEIDBSP-UHFFFAOYSA-N	418.537	5.027	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828408980	RMZYFGAWGHDZCT-QFIPXVFZSA-N	418.597	5.047	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(C(CC)CC)cc1	22805050	GPKGEJKBSOOPFC-UHFFFAOYSA-O	405.534	5.094	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	48480313	HBRTUCIZZBZJML-UHFFFAOYSA-N	412.493	5.255	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C	48738050	QNMOOIAWIVUFMG-UHFFFAOYSA-N	414.509	5.859	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2ccccc2)cs1	51534359	IDWWASVHZJHBSA-GOSISDBHSA-N	404.882	5.139	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1cccc(F)c1	58430653	FLSUAURBEGBXKK-UHFFFAOYSA-N	419.456	5.170	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	61069806	DKPLJIPHKUXTIS-HNNXBMFYSA-N	406.536	5.234	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccc(Cl)cn2)n(C2CCCCC2)c1C	219826370	AFBMVLHAYQEUIC-UHFFFAOYSA-N	402.951	5.261	30	20	HKED	
COc1cc(C)c([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC	237283502	ONNQHIRZUVHJIH-LJQANCHMSA-N	416.521	5.314	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2ccccc2Cl)cc1	303128184	OSIBQKPAMLKWBW-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1	303196581	NSABCTOQNCKVMQ-UHFFFAOYSA-N	410.564	5.951	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1	303734319	WHQNIQHLXBNLBR-IBGZPJMESA-N	402.475	5.187	30	20	HKED	
Cc1ccccc1-c1csc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)n1	428187630	XGLMXFPFHBRYCN-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CC[C@H](C#N)C3)n2Cc2ccco2)cc1	430092938	DCZWERNIXHGLKU-OXJNMPFZSA-N	406.555	5.668	30	20	HKED	
C[C@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)CCN1Cc1ccccc1	430661635	PYRXPYKNDNQLDB-NZQKXSOJSA-N	409.533	5.008	30	20	HKED	
Cc1nc2ccccc2c2c(NC(=O)c3ncc(C#N)cc3Cl)c3ccccc3n12	431566586	VFUUYTXTAKLQKV-UHFFFAOYSA-N	411.852	5.122	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3c[nH]nc3-c3cc4ccccc4o3)n2)c1	432684989	LSTBRNQRTIDICX-UHFFFAOYSA-N	411.446	5.070	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	437171788	MMLJPIXLPOSMHZ-UHFFFAOYSA-N	416.890	5.307	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1	437894982	JODGZDXHIZATBD-DHLKQENFSA-N	411.505	5.084	30	20	HKED	
CCCc1c(NC(=O)Nc2cccc([C@@H](C)OC)c2)cnn1-c1cccc(C#N)c1	439235298	ILOHADQWMXWIBA-MRXNPFEDSA-N	403.486	5.048	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)SCc1ccc(C#N)cc1OC(F)F	439534986	YDBBMQRUOQLJAO-AWEZNQCLSA-N	418.509	5.545	30	20	HKED	
C[C@H](NCC1(c2cccs2)CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1	439602472	RFPBSMDSIGTTOP-SFHVURJKSA-N	413.562	5.014	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)n1	444144339	VKMDRVXAVXCFFK-UHFFFAOYSA-N	400.507	5.629	30	20	HKED	
N#CCCCn1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2ccccc21	444252686	WVMKFHCHFBHWLL-UHFFFAOYSA-N	404.901	5.052	30	20	HKED	
COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cn(CCCC#N)c3ccccc13)[C@H]2C	444264167	CMOPOPCVYDGJDH-MSOLQXFVSA-N	401.510	5.102	30	20	HKED	
C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OCc2ccccc2)c1	444725622	BMXCIKCYKGKKFG-GOSISDBHSA-N	410.477	5.038	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c(F)c1	445662599	BZTXGDYSDSVXPY-UHFFFAOYSA-N	405.429	5.289	30	20	HKED	
Cc1sc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1-c1ccc(F)cc1	445842897	VFCWXQGSEPUVEL-UHFFFAOYSA-N	419.525	5.087	30	20	HKED	
Cc1sc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1-c1ccc(F)cc1	445867910	ZSYASXRGFHOFRG-UHFFFAOYSA-N	420.509	5.418	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)[C@H](C)c1cccc(C#N)c1	462042374	VBXOQCOKRKFKGX-MRXNPFEDSA-N	404.441	5.027	30	20	HKED	
C[C@H](C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C#N)c1	462427893	MCPQPXFBUIEKAA-LBPRGKRZSA-N	414.349	5.358	30	20	HKED	
C[C@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1cccc(C#N)c1	462467879	LFYOXROCFVVLSG-RBZFPXEDSA-N	422.326	5.099	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	464225428	YKWSRJHRGVBXDR-SFHVURJKSA-N	423.538	5.372	30	20	HKED	
CCO[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1=CCCC1	465129979	UTKLHMUGNAZFNN-HSZRJFAPSA-N	408.473	5.120	30	20	HKED	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCSCC#N)nnc1-c1cccs1	466621308	QJRPYZNPOCZXCC-QZWWFDLISA-N	418.657	5.743	30	20	HKED	
CCN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)[C@@H](C)c1ccc(C#N)cc1	467294624	BDTFIPKWHGRGHM-HNNXBMFYSA-N	422.941	5.376	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)o2)cc1C	467404648	CFBANYRKPRQRNQ-IBGZPJMESA-N	424.504	5.977	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)cc(Cl)c1	468825684	CXBXHNIZSAHUHY-AWEZNQCLSA-N	402.325	5.749	30	20	HKED	
Cc1cc(N2CCSCC2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12	469091763	WHBLUHZXWBJVLO-UHFFFAOYSA-N	418.566	5.059	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CNc2ccccc2N2CCCCCC2)c1C	470540771	YQIMAHBGYBHPKE-UHFFFAOYSA-N	404.558	5.043	30	20	HKED	
Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(COc2ccccc2C#N)c1	472023469	XNGHSXDDCQFUAX-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
COc1ccc(CC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	474262521	DGKNMZLEHHMHRA-MRXNPFEDSA-N	423.328	5.206	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	475358163	JSULAFVGDQCUMS-UHFFFAOYSA-N	403.482	5.079	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cc2ccccc2o1	482115975	SROCEXWZJROZJI-SFHVURJKSA-N	410.473	5.820	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	483211479	OWOFMWPXSKZBLE-HNNXBMFYSA-N	405.816	5.481	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1CCCC[C@@H]1c1ccccc1	484628279	YKVZVHHRQSXHPP-NRSPTQNISA-N	407.583	5.193	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3oc(O)nc3c2)cc1Cl	485706382	ACZFGUOFLSJSIH-KRWDZBQOSA-N	403.825	5.095	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1c(F)cc(F)cc1Br	487230825	BLFTVQRXDRRZPH-PBHICJAKSA-N	420.257	5.031	30	20	HKED	
Cc1cccc(-c2nnc(SCc3cccc(F)c3C#N)n2Cc2ccco2)c1	488250362	GNNGOIUNSUQPIU-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C=CC[C@H](C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1	488677413	RFMLEKBHJNWCBV-QHCPKHFHSA-N	402.469	5.054	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)cc2)n1	492040840	JIGRAUNXRRKENI-QGZVFWFLSA-N	413.296	5.496	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C	492180054	QPRDAQGYTMVCRJ-UHFFFAOYSA-N	413.568	5.767	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)oc2ccc(Br)cc12	499860603	INAVTQZGQQLWIS-HNNXBMFYSA-N	403.663	5.152	30	20	HKED	
CN(CCc1cccc2ccccc12)C(=O)c1ccc(COc2ccccc2C#N)o1	505141676	YACJFIANWDAQLE-UHFFFAOYSA-N	410.473	5.198	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1	510949033	GFVDJUZLFHPVRJ-UHFFFAOYSA-N	411.933	5.011	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4F)o3)n2)cc1	512494702	RQXFBWUPAJXELP-QGZVFWFLSA-N	413.433	5.571	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1	512512190	RDZRPBWQNLMTCA-UKRRQHHQSA-N	408.502	5.251	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	513782721	KHOVWOZURBLMJM-AWEZNQCLSA-N	407.445	5.014	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(F)cc1	518668839	PAZBEJZSGHEEOK-UHFFFAOYSA-N	414.449	5.581	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2nc1O	518946099	FOPFKPWHMDGFNL-UHFFFAOYSA-N	411.436	5.107	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	520271564	YLUKDIQVWYEVOT-CPUCHLNUSA-N	413.226	5.497	30	20	HKED	
C=CCn1c(SCc2ccc(Br)s2)nnc1-c1ccc(OC)cc1	521382511	GDBSTXGCLWUIOS-UHFFFAOYSA-N	422.373	5.256	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	521770044	YRTGISLMKOIBEA-QHCPKHFHSA-N	411.505	5.231	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CCCCOc1cccc(C#N)c1	521954077	BMUZUXRTDGDZSJ-HXUWFJFHSA-N	418.562	5.959	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc2cc(Cl)ccc2s1	522198956	CUZOFRZNFBTZHM-INIZCTEOSA-N	405.866	5.627	30	20	HKED	
O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1	522688637	ZJZLDBOUQXZVMH-UHFFFAOYSA-N	411.361	5.371	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2oc3ccccc3c2C)cc1OC	523738717	IIOIJFLRASUCJP-UHFFFAOYSA-N	416.315	5.367	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1-c1ccccc1	530694428	DLRUXSMUDYPURY-HNNXBMFYSA-N	403.507	5.267	30	20	HKED	
Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)c1	537702001	VVJMUMNTZWZQCS-UHFFFAOYSA-N	409.489	5.292	30	20	HKED	
CCCOc1ccccc1[C@H](CC(C)C)NCc1nnc(-c2cccc(C#N)c2)o1	539378767	GSSOQBFKIHWZJQ-NRFANRHFSA-N	404.514	5.274	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	540453813	JBXRYJTYSRXOQY-OAHLLOKOSA-N	424.309	5.397	30	20	HKED	
C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)C1	541041246	IEHXVKCMLXILAK-UQBPGWFLSA-N	403.526	5.376	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1	543495259	WEEKENVDPQRXRJ-RDPSFJRHSA-N	416.452	5.140	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@H](c2ccccc2)c2ccc(F)cn2)CC1	544381195	ZWPUWOHZGCWHGJ-XUNZJTMSSA-N	401.485	5.162	30	20	HKED	
CCN1C(=O)CCc2cc(NCc3cccc(OCc4cccc(C#N)c4)c3)ccc21	545349589	APHSZCPWCPMAQV-UHFFFAOYSA-N	411.505	5.048	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1	549007159	QNCJCAYHPAIHCJ-FZKQIMNGSA-N	403.309	5.317	30	20	HKED	
N#C[C@H](C(=O)c1ncsc1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1	549079923	KVQFCDINZKMVEV-SSDOTTSWSA-N	415.368	5.054	30	20	HKED	
CCOc1cc(CN[C@@H](CCCC#N)c2ccccc2)cc(Br)c1OC	552311792	AJQVQQJTNVUABZ-IBGZPJMESA-N	417.347	5.381	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)cc2)CC1	561916183	IXKCTPQKFFWJKA-UHFFFAOYSA-N	405.885	5.056	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2nc3c(s2)CSCC3)cc1	572628166	XARYYUCIHZPNIC-UHFFFAOYSA-N	407.520	5.157	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@@H](N[C@H]1CCc3ccc(C#N)cc31)c1ccc(Cl)cc1)C2	577548236	ZHBZSBFVKLXKSP-TWVZQSRDSA-N	405.973	5.403	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1	579393688	OYTAQDLKEOBYND-UHFFFAOYSA-N	418.415	5.038	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cnc1C(F)(F)F	584794112	QBNIYCOJRJQEAH-UHFFFAOYSA-N	424.407	5.501	30	20	HKED	
N#CCCCCCC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1	588840164	LWNDZLFKHSZPEO-HXUWFJFHSA-N	414.431	5.261	30	20	HKED	
N#Cc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1	589497373	QQNSIFMYFRCFMK-VXGBXAGGSA-N	404.276	5.140	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	589736249	WSJUYZRZAFMQRQ-PHIMTYICSA-N	416.337	5.208	30	20	HKED	
Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C)c1OC(F)F	593661803	AQUVSFQPSMLXBV-TXEJJXNPSA-N	419.312	5.108	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SCC(F)(F)F	604499855	QEIWEVDKOLOQTD-UHFFFAOYSA-N	421.488	5.903	30	20	HKED	
C=CCn1c(SCc2ccn(C(C)C)n2)nc2sc(-c3ccccc3)cc2c1=O	604839830	FKUIXEOKWVGUBS-UHFFFAOYSA-N	422.579	5.381	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc(-c2ccccc2)cs1	606146758	PASYEHPIJATLOI-KRWDZBQOSA-N	403.488	5.549	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608110284	KNZMHBDFJPNGHA-SPWCGHHHSA-N	413.377	5.420	30	20	HKED	
CC[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1c(C)noc1C	609062474	RHSLOGCIKVNSEE-LJQANCHMSA-N	423.900	5.528	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(F)c(F)cc2F)cc1	609209261	HMZNUPWIXHBWRR-UHFFFAOYSA-N	413.374	5.349	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cc2ccccc2)cc1	609385725	GJCBSNYZBINIHD-IBGZPJMESA-N	416.546	5.689	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(C(F)(F)F)c1	609460679	UZUPXBIUKBFJKK-CYBMUJFWSA-N	412.795	5.707	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n(C(C)(C)C)n1	609727698	TUFWOXYURDOBAG-UHFFFAOYSA-N	408.889	5.516	30	20	HKED	
CCCCN([C@@H](C)c1ccc(C)o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	610007826	SGZGBDJPJFAVRI-AWEZNQCLSA-N	414.449	5.031	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)NCc2ccc(C#N)c(Cl)c2)cs1	619766040	MXQSEPREXYWUNK-UHFFFAOYSA-N	413.955	5.199	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	620304479	CRMJKUMDZBKMQD-AWEZNQCLSA-N	420.444	5.277	30	20	HKED	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H]1CCCC(F)(F)C1	622583112	KIGULGFOKVCYIZ-SNVBAGLBSA-N	419.312	5.045	30	20	HKED	
O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc(CCC(F)(F)F)cc1	622601213	UEFQXOPTATWDFM-UHFFFAOYSA-N	411.292	5.409	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C(F)(F)F)cc1	676761792	HORBPDSNTPNBLC-OAQYLSRUSA-N	413.443	5.388	30	20	HKED	
COCc1cc(=NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cc(F)ccc2[nH]1	685903867	HMBIXBLYNJXAMH-GHMZBOCLSA-N	424.360	5.264	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1NC(C)=O	726428733	PDXBUIQWKBYRSN-CSKARUKUSA-N	422.462	5.186	30	20	HKED	
C[C@@](CC(=O)O)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCCCC1	726603950	CSFAKVQRUMQLME-RDGATRHJSA-N	404.510	5.342	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3SCCC#N)c2Cl)cc1	730982528	SELSTNFFKQPOCF-UHFFFAOYSA-N	424.957	5.460	30	20	HKED	
C#CCOc1cccc(NC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1	731110271	NAXGYBBVCFZUKK-HNNXBMFYSA-N	409.486	5.152	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccccc3)nc2)cc1	733678726	HDVLAEMDVRDLBF-QFIPXVFZSA-N	413.477	5.178	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1OCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	734706824	ZCNFBZOUYCDKIS-MAUKXSAKSA-N	416.424	5.195	30	20	HKED	
CN1C/C(=C\c2cnc(C(C)(C)C)s2)C(=O)/C(=C/c2cnc(C(C)(C)C)s2)C1	736430764	GYLIDYZISDHHAI-VOMDNODZSA-N	415.628	5.176	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	739143323	JAQKDGHHQVRZBL-SJKOYZFVSA-N	408.807	5.200	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1cc(C)c(Cl)cc1OC)c1ccc(C)cc1	739156493	YECUXHAVBUMZHV-FUHWJXTLSA-N	412.917	5.197	30	20	HKED	
COC(=O)[C@@H](OC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(C#N)cc1	740212025	FOBVWLHKXVWLQL-INIZCTEOSA-N	420.273	5.151	30	20	HKED	
O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1cccc(-c2ccncc2)c1	741474728	YRZLTFQZPVLLNO-CMDGGOBGSA-N	421.500	5.030	30	20	HKED	
Cc1csc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)n1	743092806	DQBUXDGTHWDVRZ-NHCUHLMSSA-N	402.523	5.380	30	20	HKED	
Cc1ccccc1-c1cnc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1	745993843	UPBROHHTUINSRO-UHFFFAOYSA-N	413.452	5.852	30	20	HKED	
CC(C)Cc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1	746416854	QVTCVXQLFBQBIJ-QGZVFWFLSA-N	419.506	5.095	30	20	HKED	
C[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2o1	746565268	WFRJDTKNBFLZOX-QGZVFWFLSA-N	411.461	5.220	30	20	HKED	
COc1cc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)ccc1OC(F)F	747116705	WRTSFRZZJNGNDM-HWKANZROSA-N	410.800	5.007	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(OC)cc1	752484927	YZQCNJZAZROTOZ-UWJYYQICSA-N	415.518	5.451	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	752680789	WLDMYUDUNPEKSN-CTNGQTDRSA-N	408.933	5.244	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc2ccccc2c1	753395800	LFIGVDUOLDQJGJ-OPAMFIHVSA-N	407.498	5.815	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)cc1OC	754218102	IASCWNTXUXTRKE-UHFFFAOYSA-N	412.486	5.168	30	20	HKED	
N#CC1CCC(COC(=O)CSc2ncnc3scc(-c4ccccc4)c23)CC1	755957747	SNAMDBYBDCGQJT-UHFFFAOYSA-N	423.563	5.324	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	756644626	LEIVAILCKWNIMK-CABCVRRESA-N	412.584	5.054	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1	758344737	LVLDUPFPSAROEK-QGZVFWFLSA-N	405.329	5.003	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759217542	SJKLJWJDWFTHDE-OMVNSRBRSA-N	400.290	5.402	30	20	HKED	
COc1cc(F)c(C(=O)/C=C\c2cc(C)c(OCc3ccccn3)c(C)c2)cc1OC	760264761	MJZOKHNVYAVCCI-HJWRWDBZSA-N	421.468	5.330	30	20	HKED	
CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	761243698	IYTKQKOYFWPYKG-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
C[C@@H](c1ccc2ccccc2c1)N(C(=O)Nc1ccc(F)cc1OCC#N)C1CC1	761664570	VPUIHKNEZWLGAH-INIZCTEOSA-N	403.457	5.639	30	20	HKED	
CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	762937227	LQAKCZWGOVBXRS-HXUWFJFHSA-N	407.876	5.798	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C	763882838	YRLUOHNZIBGPBY-XLIONFOSSA-N	415.578	5.306	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3cc(Cl)c(N)c(Cl)c3)c(Cl)nc21	773160835	PIVOOUJOLLGDSP-ONEGZZNKSA-N	409.704	5.451	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2ncsc2c1	776904466	UZCYXLFXPNCUCO-HRAATJIYSA-N	412.518	5.834	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	780163608	SJGKFZBAJRPYDY-SSDOTTSWSA-N	405.068	5.238	30	20	HKED	
CC(C)Oc1ccc(N[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1C#N	783589011	GNELKEODNKZVPU-AWEZNQCLSA-N	405.420	5.193	30	20	HKED	
N#CCC[C@H](NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	784392233	MOARLECISXAMHU-ICSRJNTNSA-N	401.432	5.249	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1	785678899	RDMOCMQJUZEALB-DHIUTWEWSA-N	419.912	5.505	30	20	HKED	
CC[C@H](CC#N)OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	787086631	CDZZBFMDRSNJFE-MOSCZQEPSA-N	411.386	5.344	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1(NC(=O)OC(C)(C)C)CCC1	789451146	ULFYDZQCCAYJPA-UHFFFAOYSA-N	401.551	5.107	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)s1	797573776	WORULAUMKLNFEA-ZDUSSCGKSA-N	423.365	5.977	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccccn3)C2)cc1Cl	799207740	KJRDSFPTDKRFLX-GHTZIAJQSA-N	416.912	5.412	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(Br)c1	813060682	GXJJQQWIQLZGSA-IINYFYTJSA-N	419.731	5.692	30	20	HKED	
C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(C(F)(F)F)nc1Cl	817863172	WNIIJVVUAYTRDN-SSDOTTSWSA-N	414.708	5.403	30	20	HKED	
C=CCn1c(S)nc2cc(C(=O)Nc3c(C(C)C)cccc3C(C)C)ccc2c1=O	825191435	AKUCNKLTTPZXAD-UHFFFAOYSA-N	421.566	5.370	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1	915353262	MMFVTJPAQJWTFN-AREMUKBSSA-N	424.548	5.082	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc(Br)c1O	916136331	LPHAYGMISLGUAC-SREVYHEPSA-N	401.178	5.078	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1=S	917477466	LQGSMKHUMFHVBM-KRWDZBQOSA-N	409.386	5.579	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ncc(-c2cccc(Cl)c2)o1	918775568	PVDYRJYLQNNZEK-NRFANRHFSA-N	410.857	5.013	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3cc(C)cc(C)c3C2=O)cs1	920066031	IBHWPXOKIUVCKZ-YBEGLDIGSA-N	422.481	5.242	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc(OCC(F)(F)F)cc1	920480836	OJTUKLPQOUVOEV-XFXZXTDPSA-N	413.395	5.498	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(OC(C)C)c3)n2)cc1	921136383	GUXFSUXHTMXMQD-HXUWFJFHSA-N	406.507	5.025	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4cc(C)cs4)CCC3)cc2)C1	1785806920	RPPALXUFVCTVBN-UHFFFAOYSA-N	408.567	5.089	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)c(C)c3)cc2)CCC1	1787010777	MIZGDBSKRSRQJJ-HSZRJFAPSA-N	417.553	5.215	30	20	HKED	
CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	1831467563	RSRZXLIKGRYWLT-HYBUGGRVSA-N	423.601	5.008	30	20	HKED	
Cc1[nH]c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc1Cc1ccccc1	9946780	IFNXAKSYYOOXDE-UHFFFAOYSA-N	424.957	5.001	30	20	HKED	
N#Cc1c(NC(=O)CCN(Cc2ccco2)Cc2ccco2)sc2c1CCCCC2	16418436	DICIKAZAZXRZFM-UHFFFAOYSA-N	423.538	5.106	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccoc1C	21140635	TZRUKGQKKURTQN-INIZCTEOSA-N	424.570	5.449	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cc(C)ccc2C)cc1	22729835	KAFDBAFECYCFOL-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(C)cc1	22730905	IIGJTKGEKDETBE-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1	23603287	STHCGTRGCYEVPV-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
Cc1cccc(-c2nnc([C@@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)o2)c1	26675943	NOBDPTSZVUEDIP-GFCCVEGCSA-N	404.417	5.492	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1	64533956	WTJROPJBGOGGNF-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
C[C@@H](S[C@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1	65280271	GSBHVCBEMOELQI-ZIAGYGMSSA-N	400.466	5.111	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1	65776444	DQFAPBLDUFPAIG-UHFFFAOYSA-N	400.522	5.148	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CSC2=Nc3ccccc3CS2)ccc1Cl	248132710	BIXMEYUSLDNQCD-UHFFFAOYSA-N	415.971	5.563	30	20	HKED	
COc1ccccc1-c1nnc(S)n1N=Cc1cc(C)n(C2CCCCC2)c1C	254419485	JROGIFTZNANCBW-UHFFFAOYSA-N	409.559	5.048	30	20	HKED	
Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	303196371	NIVLKFQEGTTWEC-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1ccccc1	431131310	AMEVMLAYGYSQIJ-OXQOHEQNSA-N	415.306	5.339	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431473570	SZEHGPIXVRYTTR-UZLBHIALSA-N	403.448	5.371	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C	431933352	BFAFHUPLFNXQJM-UHFFFAOYSA-N	424.485	5.701	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccccc1	432676564	OPXVXXRLTZGFRZ-QHCPKHFHSA-N	400.482	5.217	30	20	HKED	
Cc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OCC1CCOCC1	432947150	CBZOTZCDQKWIEG-QHCPKHFHSA-N	421.541	5.357	30	20	HKED	
N#CCCC[C@H](NCc1ncc(-c2cccc(Br)c2)o1)c1ccccc1	433012557	LBGMHCIUXULKRL-IBGZPJMESA-N	410.315	5.629	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1	434367105	OKKXRLAODOSYMR-NRFANRHFSA-N	416.443	5.026	30	20	HKED	
CC(C)[C@@H](c1ccccc1Cl)N(C)Cc1cn(CCC#N)nc1-c1ccncc1	435124220	MVLFHJBZJPBPLC-QHCPKHFHSA-N	407.949	5.341	30	20	HKED	
N#CCC[C@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccccc1	435916477	MTLAIQSMUADOII-QFIPXVFZSA-N	414.896	5.454	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	438245237	HXJVVBHUPOVBDW-LESCRADOSA-N	419.978	5.113	30	20	HKED	
CCCc1c(NC(=O)N2CCc3sccc3[C@H]2CC)cnn1-c1cccc(C#N)c1	439674450	PNDJNIJESBDOKH-HXUWFJFHSA-N	419.554	5.299	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	442673361	RDURXZNMATUFLL-HNNXBMFYSA-N	414.328	5.445	30	20	HKED	
N#Cc1ccc(NC(=O)c2occc2CSc2ccccc2)cc1C(F)(F)F	443879749	DSHXVRARVVZNOR-UHFFFAOYSA-N	402.397	5.715	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	446895867	GFTUJWQPCNTFEG-ACRUOGEOSA-N	415.459	5.470	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cc2)cc1	462262968	MXKXUPQEHBORTO-XUZZJYLKSA-N	413.477	5.392	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2nc(Cc3ccccc3)no2)cc1F	463228822	MAGRJCUKKZCTKY-UHFFFAOYSA-N	400.413	5.076	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(S[C@@H](c2ccccc2)c2ccc(F)c(F)c2)n1	463251140	UHEHKFALFVGLPW-FQEVSTJZSA-N	410.445	5.290	30	20	HKED	
C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(Cl)c2ccccc12	463264271	YRYQTDCYMHDIHN-WAIKUNEKSA-N	419.912	5.209	30	20	HKED	
CCn1ncc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)(F)F	466508136	DIFONJYMQIFJKV-UHFFFAOYSA-N	419.247	5.212	30	20	HKED	
C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1cc(F)c(Cl)cc1Cl	466594455	BHSWHJFXEWXPSK-LLVKDONJSA-N	411.264	5.093	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1	470717950	NUYFFIQOPMPLLZ-NRFANRHFSA-N	408.486	5.156	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)o2)cc1	471635996	PWHODIFPYOFQIY-UHFFFAOYSA-N	411.396	5.023	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1	472930579	RFULYOHAJOADTI-UHFFFAOYSA-N	420.444	5.126	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(CCC#N)Cc1ccccn1	473786779	FKRJPHRHBFNHPS-UHFFFAOYSA-N	418.472	5.056	30	20	HKED	
Cc1cccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1NC(=O)c1ccccc1F	474445661	MVFSFPCECCHQRZ-QGZVFWFLSA-N	421.497	5.456	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCCc3c(O)cccc32)cc1	481200420	GENJYOPCQFCMIO-JOCHJYFZSA-N	414.530	5.364	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)c2ccc(Br)cc2)nnc1-c1ccncc1	481351616	WNMXFRJZKVFDQJ-CQSZACIVSA-N	415.360	5.532	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[C@@H]1C(F)(F)F	482041877	MZIMJPKCHDGQKX-FQEVSTJZSA-N	416.443	5.188	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc12	483211550	PCNARNRXNAIESM-HXUWFJFHSA-N	408.486	5.434	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1csc(-c2ccccc2)n1	483321591	GFUZFJMMYUVWIS-INIZCTEOSA-N	422.579	5.569	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccccc4)nc3C)n2)cc1	483440561	HBMYAVCAEQAOIJ-IBGZPJMESA-N	410.502	5.374	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1	486796301	UANZIUGMPCSNIB-CQSZACIVSA-N	417.456	5.463	30	20	HKED	
N#CCCC[C@H](NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccccc1	487310703	BCUNYJDTBZRNEB-IBGZPJMESA-N	412.320	6.153	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c1	501825182	KIRLVXHEWAFUQZ-HXUWFJFHSA-N	418.522	5.110	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-c3nc[nH]n3)c2)cc1Cl	502213925	SPPDVMKQFPFLRC-HXUWFJFHSA-N	413.868	5.033	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)nn1CCC#N	504131416	QZCXNJVRRQLDHE-UHFFFAOYSA-N	414.387	5.169	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc3ccsc23)cc1C	504663651	VEYNONQIZHCGPW-UHFFFAOYSA-N	400.507	5.548	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC1CCC(C#N)CC1	508345405	HGHJOHBTSHZORH-UHFFFAOYSA-N	420.340	5.832	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1	510432003	YQFSIRRIRSKDFV-UHFFFAOYSA-N	422.506	5.276	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	512907339	PGDSTDXRKWGZTR-CYBMUJFWSA-N	410.289	5.651	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC	513853044	QSYYSJJZZNZYPZ-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1COCc1ccccc1	515151942	LGUKCKDUAKFCSY-UHFFFAOYSA-N	413.521	5.719	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1ccccc1	519450303	ZVCSYODVEVPCEV-WMZHIEFXSA-N	415.562	6.044	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1ccc(Br)s1	520187402	LPFJZXZVEYONLI-CYBMUJFWSA-N	423.401	5.866	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)n1	520321768	HSPJXVBPVXQCJS-UHFFFAOYSA-N	420.472	5.563	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1	520593245	SQYRYMZFGLFGEC-UHFFFAOYSA-N	423.822	5.306	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2	520954525	LCKODFKUGMVUHS-OKSBFYSISA-N	415.924	5.607	30	20	HKED	
Cc1noc(CSc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)n1	521799696	FMMDTJUQKWNIGL-CQSZACIVSA-N	424.551	5.317	30	20	HKED	
N#CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CCCC1	523137179	KIVBLIOTRMPIJQ-UHFFFAOYSA-N	418.928	5.030	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CC1CCCCC1)c1ccccc1	523571491	PJWOBFPUFJTBLM-XMMPIXPASA-N	406.574	5.174	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	524115167	YVSSLDGQJHDQPV-UHFFFAOYSA-N	401.853	5.109	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	525558206	AJLGESVHVYQRER-LEWJYISDSA-N	420.434	5.621	30	20	HKED	
C=CCN(C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc2c(s1)CCCC2	530827352	NXASHZFDBSBJTN-UHFFFAOYSA-N	407.539	5.219	30	20	HKED	
CSc1cccc([C@H](NC(=O)Cc2cccc(C#N)c2)c2cc(F)ccc2F)c1	531157526	VQRCXCKRQBAMEJ-QHCPKHFHSA-N	408.473	5.007	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)CCC(=O)Nc3sccc3C#N)s2)cc1	532573025	CVBPFBYEUGQFHF-INIZCTEOSA-N	424.595	5.382	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl	534814793	BJONSLLQCODLKP-CQSZACIVSA-N	413.930	5.113	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3cccc(C)c3)CC2)cc1	536730099	UJYAMBVKHGMMSH-UHFFFAOYSA-N	415.537	5.130	30	20	HKED	
C=CCC[C@H](NCc1nc(-c2ccc(OC)cc2)no1)c1ccc(C(F)(F)F)cc1	537130646	SKZLTCVRHSKAJA-IBGZPJMESA-N	417.431	5.561	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@@H](Cc3ccccc3)c3cccs3)CC2)cc1	538406742	SFONQFGOCAGOFY-DEOSSOPVSA-N	401.579	5.158	30	20	HKED	
CC1(c2cccc(Br)c2)CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	539643334	MXVKQTYEPCQJIQ-UHFFFAOYSA-N	423.354	5.198	30	20	HKED	
Cn1cc(CNc2ccc(SCc3ccccc3)cn2)c(-c2ccc(C#N)cc2)n1	539760063	ZJUVJJBWNKZAAD-UHFFFAOYSA-N	411.534	5.258	30	20	HKED	
COCCOc1ccc(C#N)cc1N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C	542487819	HONJTJPPUMPGJH-OAHLLOKOSA-N	423.538	5.197	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1c1cccc(F)c1	542955652	DYJPYKYKHCTFRQ-SZNDQCEHSA-N	423.879	5.151	30	20	HKED	
COCC[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	551639751	NCBZVYWEHCTTHN-VQTJNVASSA-N	420.340	5.415	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OC)c(OC)c1	558339938	BIAVHONQAIMAGO-WBVHZDCISA-N	413.543	5.371	30	20	HKED	
O=C(O)C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	559981556	PNLUZKDUBAKAIJ-HNNXBMFYSA-N	409.301	5.169	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	561972947	KOSVRPGRSXUECA-NRFANRHFSA-N	419.550	5.151	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCCCCCOC3CCCCC3)cc2)ccn1	569294042	FJROITAEGQOMHD-UHFFFAOYSA-N	422.529	5.387	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2cccc(OCCCc3ccccc3)c2)CC1	573625716	CLMDBFGLBXFFSX-UHFFFAOYSA-N	411.549	5.151	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(C)cc1	577104803	CMHMQYLBLBMVPD-HXUWFJFHSA-N	420.582	5.415	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C2CC2)c(OC)c1	583334513	WHRBJJAPOZORCI-CQSZACIVSA-N	413.905	5.061	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3ccnc(C(F)(F)F)c3)no2)c2ccccc21	584436834	FBWFIHAAQHVZLT-SREVYHEPSA-N	409.371	5.189	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC(c4c(Cl)cccc4Cl)CC3)o2)cc1	588978664	YSZQHZHOJMIZJJ-UHFFFAOYSA-N	413.308	5.295	30	20	HKED	
N#CCc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1	603458969	VHNMIKVHJMWJHB-VLGSPTGOSA-N	405.457	5.633	30	20	HKED	
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(CC#N)c2)cc1	603730411	BZZQKZHGSOXVKS-UHFFFAOYSA-N	406.869	5.849	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C[C@H](C(=O)O)c3ccccc3)cc2Cl)cc1	603953994	UMEZQWOXJKEMKI-IBGZPJMESA-N	420.852	5.201	30	20	HKED	
CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604499605	HJWXLQXPDQMLAW-UHFFFAOYSA-N	404.445	5.329	30	20	HKED	
C[C@H](CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	608995211	CIRRUMOHOQEGSH-HXUWFJFHSA-N	413.521	5.599	30	20	HKED	
Cc1csc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	609046447	DUQHJLZXBKIKNT-CYBMUJFWSA-N	412.902	5.652	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)Nc3cc(C#N)ccc3OC(F)F)cs2)cc1	609068003	DAFABBZGPCGWIV-UHFFFAOYSA-N	413.449	5.027	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	609428230	FSAGTEWEBPPTFA-RBUKOAKNSA-N	416.546	6.154	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccccc2Br)oc2ccc(Cl)cc12	609591988	ABRJYONFTCFDGN-HNNXBMFYSA-N	403.663	5.152	30	20	HKED	
COCCOc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	609723550	DBIBTVJALJGWLU-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
Cc1ccc([C@H]2COCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)o1	609729112	KZGXPHMQSOSELN-HXUWFJFHSA-N	422.868	5.119	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCS[C@H](c3ccccc3)C2)c1	609789906	KSQQJUDCUPXKDS-DEOSSOPVSA-N	414.530	5.068	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Oc2nccs2)c1)c1c(Cl)cccc1Cl	609911688	MUGTZKIEICVSGQ-HNNXBMFYSA-N	404.278	5.237	30	20	HKED	
CCO[C@H](C)c1nc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cs1	609925924	JJYGNRSCVCPVHG-CYBMUJFWSA-N	411.552	5.548	30	20	HKED	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609988517	CWBJLDVHXSVHLN-UHFFFAOYSA-N	412.537	5.026	30	20	HKED	
C[C@@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)c1cccc(C#N)c1	610362601	SNSUHIZADUTJHV-OAHLLOKOSA-N	418.543	6.149	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610422283	QCYAZHHGFAOGBS-OAHLLOKOSA-N	401.800	5.482	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1	610961786	ACCJQKGKFUADEL-UHFFFAOYSA-N	422.366	5.487	30	20	HKED	
N#CCCN(C(=O)CSc1ccccc1Br)c1cccc(Cl)c1	611124746	FRUJGGOBRLDICZ-UHFFFAOYSA-N	409.736	5.141	30	20	HKED	
COc1cccc(C(NCc2ccc(C(C)(C)C#N)cc2)c2cccc(OC)c2)c1	614058619	JIKWQKNWEGMOMG-UHFFFAOYSA-N	400.522	5.384	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	615506333	WJGXXIXBDSJGRR-UHFFFAOYSA-N	416.346	5.249	30	20	HKED	
COc1cc(C[S@](=O)[C@@H]2CCc3ccccc32)ccc1OCc1cccc(C#N)c1	618625126	ZAOXIPXHBALTKM-RNAHPLFWSA-N	417.530	5.082	30	20	HKED	
C[C@H](CC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	676874282	JXAAIBKYRYWUAH-GMTAPVOTSA-N	403.313	5.048	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nnc(Cc2ccccc2)s1	681378102	SGTZOFSADPFEPD-UHFFFAOYSA-N	404.948	5.064	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCCC[C@@H](COC)C1	685540502	VZYIGVIEDBISTQ-VQTJNVASSA-N	420.557	5.010	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(OC)cc4)CCC3)n2)cc1	726324485	APCINYZEEMAEBM-HXUWFJFHSA-N	418.518	5.125	30	20	HKED	
Cc1cc(/C=C/C(=O)Nc2ncccc2OCCCC#N)c(C)n1C1CCCCC1	726958106	QXLBZQFFMAYYJY-OUKQBFOZSA-N	406.530	5.340	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C3CCC3)C2=O)c1	730460440	ZPSKKPLELZBMNX-NRFANRHFSA-N	421.566	5.125	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2coc(-c3ccc(F)cc3)n2)c1	733220229	QWOMMRYFTLAGTE-UHFFFAOYSA-N	416.477	5.299	30	20	HKED	
Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	734205198	CVDNXKFLOJSRAT-FTJBHMTQSA-N	409.533	5.890	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	735575249	NQKLDGHMDHCTMZ-UHFFFAOYSA-N	417.456	5.532	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N	739306870	VXVGFMWLHQQOTE-CABCVRRESA-N	410.470	5.201	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccnc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	741111231	IRASWYFJNADYHP-GMNBZTITSA-N	423.419	5.753	30	20	HKED	
COc1cccc([C@H](NC(=O)/C=C/c2ccccc2C#N)c2ccccc2Cl)c1	741605911	NJPIITQMYGXNSD-XXFRDUSWSA-N	402.881	5.139	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036632	FIJNWUYZFSASBH-WKOYGUFESA-N	412.436	6.109	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038389	SMDHIPNROFTKSG-TZMCWYRMSA-N	421.369	5.820	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C(F)F	744038438	UVMIISQMUVSMBV-RBSFLKMASA-N	420.246	5.718	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	746661789	SIPJACWUCHMVMU-UHFFFAOYSA-N	413.481	5.654	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	748988661	KEJRKEHSMGJHSV-UHFFFAOYSA-N	410.949	5.646	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(Cl)cc1	749102383	MEZFEWATANISKR-UHFFFAOYSA-N	413.743	5.627	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-n3ccnc3C)cc2)ccc1OCC(F)(F)F	751517255	KNEQLLMSRVFUNI-YCRREMRBSA-N	416.399	5.027	30	20	HKED	
N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1	754528174	OCPHIUVRSOGBOV-MRXNPFEDSA-N	411.288	5.771	30	20	HKED	
C=C(C)[C@@H](C)OC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1	756013696	OSAQMSMSSUHIJX-CQSZACIVSA-N	402.516	5.202	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1	756710661	ZZJFWPOJJVKJBB-SWLSCSKDSA-N	423.738	5.340	30	20	HKED	
C#CC[C@@H](NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1	757773886	RQRWLQAFFVQOAR-HXUWFJFHSA-N	422.916	5.076	30	20	HKED	
C=C[C@@H](CC(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccccc1	758906607	DQJHEYGPJMGXSZ-SFHVURJKSA-N	420.534	5.036	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	761655244	JPKUMKHEHAQOFA-LJQANCHMSA-N	415.877	5.354	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2COc3ccc(Cl)cc32)cc1	762213713	JZIXEVPKBOESRQ-RTWAWAEBSA-N	403.869	5.251	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccc(F)cc2)CC2CC2)c1=S	764991623	YHLYEIYUGHEOSU-UHFFFAOYSA-N	423.561	5.061	30	20	HKED	
C#CCOc1ccc([C@H](C)NCc2ccc(Oc3ccccc3OCC)nc2)cc1	765099459	UKYCWDJCVJVAJK-IBGZPJMESA-N	402.494	5.135	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	771433548	LEVQCTVJAUYNMQ-DPSWKAHMSA-N	417.484	5.379	30	20	HKED	
N#C[C@H](COC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)Cc1cccs1	772730905	AFTFDULIWLAVDB-NXHRZFHOSA-N	408.548	5.333	30	20	HKED	
C=C(Cl)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl	776121271	HRMQFDVPGAOTNH-UHFFFAOYSA-N	416.337	5.163	30	20	HKED	
CCCN(C(=O)c1ccccc1OCC#N)[C@H](c1cccnc1)c1ccc(F)c(C)c1	776967012	SGYZJZVENRVHRW-DEOSSOPVSA-N	417.484	5.073	30	20	HKED	
C=CC[C@@H](OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1	778739927	URLZGWXUDXVMIW-QGZVFWFLSA-N	400.887	5.343	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](CC2CCC2)c2ccccc2)ccc1OC	779350872	GZEYNFUTXLADJM-FCHUYYIVSA-N	421.541	5.107	30	20	HKED	
Fc1ccc(C(C[C@@H]2CCOC2)=NNc2ncc(C(F)(F)F)cc2Cl)cc1	792885899	XCUNXUXRNUUJIU-NSHDSACASA-N	401.791	5.136	30	20	HKED	
CN(CCCOCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	799207321	SGCNIIWNWIQVRY-VWLOTQADSA-N	413.521	5.413	30	20	HKED	
Cc1cc(C(C)(C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1Br	810202572	GTOIPBYEPFVVBY-AWEZNQCLSA-N	416.319	5.105	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1OCCc2sccc21	813866174	LMWRGQMMWQPQLD-JFJYTDJESA-N	417.534	5.228	30	20	HKED	
N#CCCC[C@H](NCc1nnc(-c2ccc(Br)s2)o1)c1ccccc1	814659842	QCWRXHRGSOBIQX-AWEZNQCLSA-N	417.332	5.085	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(SC(C)C)cc1	916898907	GEFVWEBSTDYAME-MRXNPFEDSA-N	416.930	5.119	30	20	HKED	
COc1cc(C)ccc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(C)cc2)n1	917559483	JOJKRAXJZCZKGA-WQLSENKSSA-N	406.507	5.349	30	20	HKED	
CCCCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1	917560017	PWIBMDXKVXNCGG-QINSGFPZSA-N	422.525	6.206	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3ccccc3OCC#N)ccc2OC(F)F)cc1	919811410	SOEPCWXAKSYMNS-UHFFFAOYSA-N	424.403	5.118	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)s2)n1	920110093	YNFYBHCOKXGQFT-SECBINFHSA-N	422.318	5.140	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1-n1cccc1	920140164	CKDKKVNUEFRQGM-FQEVSTJZSA-N	408.486	5.271	30	20	HKED	
C[C@@H](NN=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1	920385871	JEJZINXQPSRHFM-GOSISDBHSA-N	411.465	5.132	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C34CC(C(F)(F)F)(C3)C4)CCC2)cc1	1791244361	OPQNDMFNFFOHNJ-VUZGARFFSA-N	420.475	5.065	30	20	HKED	
Cc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)c1	1792234407	SGJKGOGFLDYNPS-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2F)CC1	1829068231	LLSDPGWVZFHJBH-LJQANCHMSA-N	420.594	5.113	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1	7188069	DKLOQGWSOMWTQS-NSHDSACASA-N	413.852	5.362	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cccc(C)c1	10167531	PZEDCGJTFYVWSN-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(F)cc1	10828688	GJFZGIRCDWBUFX-UHFFFAOYSA-O	419.954	5.441	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl	14122627	DBVXMBMNPMJDOB-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C1CC1	20976627	YWIBFYFZYVKHIB-JOCHJYFZSA-N	414.534	5.539	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCOc2ccccc2)cc1	25907631	IKUBVTRUPUNHFF-UHFFFAOYSA-N	402.519	5.049	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccoc1C	32559536	CZHWHPLDKPXIQO-FXAWDEMLSA-N	424.570	5.171	30	20	HKED	
N#CCc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	51285711	QHEWKLWZKYKMGO-INIZCTEOSA-N	412.301	5.673	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1	62905457	VBSRLUZNHZJYPU-UHFFFAOYSA-N	413.955	5.154	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCc3c(Cl)cccc32)cc1	65748146	BOPPIFCOBRWEAK-QFIPXVFZSA-N	418.949	5.921	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Oc4cccnc4)cc3)c2)c1	109071183	QZCDUQUWRXNJPG-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=CCN(C(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1	109322155	CTESCWVLJLLHSZ-AWEZNQCLSA-N	400.450	5.075	30	20	HKED	
CC[C@H](C)N(Cc1ccc(-c2ccccc2C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1	112654877	MVGOYYJBJHPCLN-IBGZPJMESA-N	422.532	5.262	30	20	HKED	
C#CCCOc1ccc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1	236686799	PJDJDMZLUXBXTJ-UHFFFAOYSA-N	421.544	5.290	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(Br)cc2n1	302981207	PWYMYSUWDNWXOW-UHFFFAOYSA-N	408.299	5.359	30	20	HKED	
CCc1cccc(N/C(N)=N/Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1	303981703	PIKRZVSNPXEPPA-UHFFFAOYSA-N	409.537	5.088	30	20	HKED	
CC[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccccc1OC(F)F	431841632	COCAABCUILHEOR-OALUTQOASA-N	401.457	5.473	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1	435101825	RIKWZUCOESZNLD-IAGOWNOFSA-N	423.504	5.758	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nc(-c2ccccc2)cs1	435458176	OEUQXSAJSCBOOA-GOSISDBHSA-N	412.474	5.228	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1	435655259	NTDJMZXGHVZCJQ-HSZRJFAPSA-N	405.542	5.071	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(F)(F)F)CC1CC1	438039620	XOXCMCACNCZOSJ-UHFFFAOYSA-N	407.276	5.529	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC(c4ccccc4Br)CC3)cc2)CC1	439030009	STDDGWRXAQEQNC-UHFFFAOYSA-N	409.327	5.024	30	20	HKED	
CCc1nnc([C@H](C)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1	439647747	NYJQWVLTGNHXQG-LBPRGKRZSA-N	402.376	5.488	30	20	HKED	
C[C@@H](CC(F)(F)F)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444035831	SKOYXIRYSDAWBZ-KWQFWETISA-N	410.280	5.339	30	20	HKED	
C=C(C)Cn1c(SCc2nc(C(C)(C)c3ccccc3)no2)nnc1-c1ccco1	445471935	IUNQGIJQXWLKRM-UHFFFAOYSA-N	421.526	5.115	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	463095676	FIQJKSIHDOEKFY-RBBKRZOGSA-N	414.530	5.360	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(C(F)F)cc2)cc1	463131271	ZOLVNWANNSLFRC-UHFFFAOYSA-N	408.473	5.718	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(C3CCCC3)nc2C)cc1	463160209	DHDKAAXGYHMDJP-UHFFFAOYSA-N	409.555	5.176	30	20	HKED	
Cc1cc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)oc2cc1C	463294468	DKFZIQDSKZMKMG-UHFFFAOYSA-N	410.473	5.947	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc(OC)c1OC	464152142	OCEVMWQTIAJLPR-UHFFFAOYSA-N	424.884	5.525	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	464504346	HKZUZVJVDIZDGI-UHFFFAOYSA-N	416.318	5.193	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1	464935588	HFYFRNRFTHRYBN-FGZHOGPDSA-N	415.562	5.268	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cccc(SCC#N)c1	469291460	QWYVQSTTXYEYOF-MRXNPFEDSA-N	407.564	5.567	30	20	HKED	
Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CO2	471719871	CQCXNQUELOOCEQ-HSZRJFAPSA-N	412.489	5.063	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cccc(COc3cccc(C#N)c3)c2)n1	474443884	FNNIMVYPWDPOAG-HXUWFJFHSA-N	401.491	5.207	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)Nc1cccc2ccccc12	475551766	XHIMRSININXNNC-UHFFFAOYSA-N	401.510	5.452	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)cc1	476110012	NFCWBFBQLILEOQ-IBGZPJMESA-N	412.533	5.997	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2)cc1	478216877	VSQREMAYXABLPI-NRFANRHFSA-N	400.453	5.314	30	20	HKED	
C=CCn1c(SCc2cc(OC)ccc2Cl)nnc1-c1ccccc1OC	478527176	FKQBEOPDMKVZOQ-UHFFFAOYSA-N	401.919	5.094	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCc1ncc(-c2ccccc2)o1	479881990	GXZRLGCRMVCWOI-UHFFFAOYSA-N	401.510	5.221	30	20	HKED	
Cc1cc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)o1	481681927	DEIMGMFRMOTRAJ-HNNXBMFYSA-N	407.445	5.369	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1Cl	483045032	CIOQLGSLKTYYQW-SFHVURJKSA-N	422.941	5.651	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nccc3ccccc23)c1	483207847	VNWUOJJGFHWLBW-DEOSSOPVSA-N	404.469	5.573	30	20	HKED	
Cn1cc(CNc2ccc(Oc3cccc(F)c3F)nc2)c(-c2ccc(C#N)cc2)n1	485951778	ACEQAHQESPFLIG-UHFFFAOYSA-N	417.419	5.036	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	497497016	YULNRHFDTDWUEB-FQEVSTJZSA-N	402.523	5.027	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc1OC	504841778	GHSUIYFYENAEOB-UHFFFAOYSA-N	410.857	5.353	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	509668662	XRYFUKZYSDNHIH-CQSZACIVSA-N	410.930	5.484	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c(F)cccc1F	511392336	VFBLZIVSVMXLRH-INIZCTEOSA-N	421.447	5.493	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)c1nc(-c2ccccc2)cs1	512158432	DHUHIISNEZVPNR-OXJNMPFZSA-N	417.534	5.237	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@@H](C)c2ccc(C#N)cc2F)CCC3)cc1	512628080	CUJQALMBDCALHC-VBKZILBWSA-N	407.514	5.558	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	513210494	NZESAYDKBNKYDN-CYBMUJFWSA-N	405.763	5.207	30	20	HKED	
CC(C)CN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(C#N)cc1	514396444	BNAZNDBFSPKVGN-UHFFFAOYSA-N	421.504	5.109	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4c(C)cccc4c3C)n2)cc1	516714298	ZYEKBMRPSPJDRA-SFHVURJKSA-N	402.475	5.672	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2cccc(-c3ccccc3OC)c2)c(OC)c1	518405713	RGEJJYQHJXUGND-UHFFFAOYSA-N	403.478	5.117	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)Cc1ccc(OC)cc1	518755896	QZXKMOQSCQNWKZ-QZTJIDSGSA-N	411.571	5.574	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	519914333	UZWVBXBXMARPNJ-SFHVURJKSA-N	415.493	5.223	30	20	HKED	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	520100210	LBPVJLTZTIEGKW-MRXNPFEDSA-N	422.431	5.016	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1	521109667	DLOBKRMRJSAIGT-FQEVSTJZSA-N	411.933	5.272	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	521963019	AZFMPVRWOPLBDK-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
O=C(NCc1nc2cc(Cl)ccc2s1)Nc1cccc(C#Cc2ccccn2)c1	522071522	SVFSUWFXERYQEU-UHFFFAOYSA-N	418.909	5.066	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(C)(C)Cc2ccccc2)cc1C	522676887	WBLKUFVWJUWQTB-UHFFFAOYSA-N	414.553	5.079	30	20	HKED	
Cc1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1C(F)(F)F	522712455	QKFXFCCOYFFYTJ-UHFFFAOYSA-N	408.264	5.362	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)CCO3)cc1Cl	523141104	HKZXBUDFPWJYQM-OAQYLSRUSA-N	417.896	5.252	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N(Cc3ccc(O)cc3)Cc3ccco3)c2)cc1	523408399	VHWFYYNEZSMHBO-UHFFFAOYSA-N	423.472	5.443	30	20	HKED	
Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	523797543	GEGQYNGAMYFIKL-LJQANCHMSA-N	401.485	5.479	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccccc4F)CC3)cc2)cc1	524078062	JHCXGZZXPDHJBT-UHFFFAOYSA-N	415.468	5.901	30	20	HKED	
CC(C)c1ccccc1-n1ccnc1SCc1nnc(-c2ccc(C#N)cc2)o1	525110114	SHRHKJUYVIURLR-UHFFFAOYSA-N	401.495	5.210	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	532225828	XYOVPFJSFUSQLQ-OAQYLSRUSA-N	416.456	5.562	30	20	HKED	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	533603269	CZZURRDNPXLCIL-INIZCTEOSA-N	401.491	5.134	30	20	HKED	
CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	540211580	PGGWXTFFQMVKRO-UHFFFAOYSA-N	406.404	5.067	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2C)c1ccc(-c2cccc(C#N)c2)cc1	541094306	KHQWHTZLPQKAOF-QGZVFWFLSA-N	424.504	5.017	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(C2CC2)cs1	542225183	IFOXMXMUNWKLHE-ZDUSSCGKSA-N	403.598	5.144	30	20	HKED	
COc1ccc2c(c1)C[C@H](C)N(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]2C	542878251	FSLHMOWFNUCFBE-RCCFBDPRSA-N	423.582	5.036	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	544073162	RLTQQXDMXXKIIH-LBPRGKRZSA-N	421.931	5.231	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1	544460580	PWDDWTTTXFMLHR-RDPSFJRHSA-N	400.453	5.014	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1Cl	548281853	UZYQESJLYUSZFW-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c4ncccc34)n2)cc1	549087595	WDSFIGZTUAVKFL-QGZVFWFLSA-N	403.894	5.810	30	20	HKED	
N#CCCn1cc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(-c2ccccc2)n1	555349839	IKUAJRVRECEZAJ-IBGZPJMESA-N	402.464	5.018	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CSc1cccc(C(F)(F)F)c1	557612254	XQVSWKKYFVUECI-UHFFFAOYSA-N	411.493	5.180	30	20	HKED	
COc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)cc(Cl)c1OCCC(C)C	560357771	VCTKAAPEQIVSKS-UHFFFAOYSA-N	418.896	5.473	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)c1ccccc1C#N	561506857	CIAXOKDGYVECQW-QGZVFWFLSA-N	417.490	5.180	30	20	HKED	
COc1ccc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)c(C)c1OC	566642073	JLQXBTHBDKNTAL-LJQANCHMSA-N	416.521	5.314	30	20	HKED	
O=C(N[C@@H]1CC[C@H](F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	576304778	CEOZNBLLKOBNOX-NJQOBXSUSA-N	415.393	5.116	30	20	HKED	
C[C@@H](Nc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)c1ccc(C#N)cc1	608885374	LMSYYZXYWKXOBJ-GFCCVEGCSA-N	409.280	5.143	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)o1	609173276	NQLROTVKVHKYFW-PUZWTLIVSA-N	414.505	5.296	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1	609182268	FFKWOOMTKZQPTC-QHCPKHFHSA-N	412.917	5.037	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609209140	ZASXKTKJNJLIMN-MRXNPFEDSA-N	417.465	5.250	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCOc1ccccc1-c1ccccc1	609376821	KBPPLVATKPATDJ-LJQANCHMSA-N	416.546	6.013	30	20	HKED	
CC(C)c1nc(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1	609434048	ZPKPPUNUMPFIAI-UHFFFAOYSA-N	406.511	5.295	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1	609646528	DPPLALSJKIXUCE-KRWDZBQOSA-N	409.445	5.305	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1Cl	609987274	OWYVWXVTECIORA-UHFFFAOYSA-N	404.857	5.166	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F	613347062	WITLQNRKKOGNRW-CQSZACIVSA-N	405.281	6.055	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F	613402003	XOCTUEQVYBNHKM-CYBMUJFWSA-N	412.396	5.184	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	613407514	WKCJCCIKUDWEHM-MRXNPFEDSA-N	406.898	5.242	30	20	HKED	
Cc1sc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)nc1-c1ccccc1	617443745	BMVKVFSXYBVSDG-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)oc2c1	620304387	WUFZOSVHLZFUOL-OAQYLSRUSA-N	418.452	6.147	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccccc1	662024530	KMXQXVDMGNLOAD-LJQANCHMSA-N	420.582	5.049	30	20	HKED	
CC(C)(C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(Cl)c1F	681225712	JPBFTNMFOBDWEZ-UWVGGRQHSA-N	419.768	5.346	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1	728481121	JYIVUFPACJVKKJ-UHFFFAOYSA-N	408.910	5.302	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1	728687451	GTAITNSRAXAHQW-QHCPKHFHSA-N	401.485	5.580	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3Br)n2)cc1	729185867	ADYJHNKYTBCBKK-INIZCTEOSA-N	411.324	5.300	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc3ncccc3c2)c1	730550817	JZHBMRMGVADLEE-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1ccc2ccccc2n1	730687401	UYJABZSHGCSAEN-CLOONOSVSA-N	414.411	5.510	30	20	HKED	
C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)nc1	732027209	AOUXYJWVNYWLKN-UHFFFAOYSA-N	401.516	5.142	30	20	HKED	
N#C[C@H](NC(=O)COc1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl	733258734	JSHQWTWCCVPYFH-ZDUSSCGKSA-N	404.080	5.060	30	20	HKED	
COc1cc(C(=O)/C=C\c2nccn2Cc2ccccc2)ccc1SC(F)F	734096040	VVYBJDGQVKZHTD-NTMALXAHSA-N	400.450	5.151	30	20	HKED	
C=CC[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1	734457046	FSUSHQPXBIQQFI-VGOKWCNXSA-N	414.349	5.566	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccncc1	734660060	KMJXWDBCSKVQTH-YADHBBJMSA-N	409.892	5.580	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3Cc3ccccc3)[nH]c12	735787726	DUVSRYWLKJPURN-RXVVDRJESA-N	409.489	5.106	30	20	HKED	
CS(=O)(=O)c1cccc(Oc2ccc(N=Cc3c(O)ccc4ccccc34)cc2)c1	737444254	PSXVCGHADYOBER-UHFFFAOYSA-N	417.486	5.492	30	20	HKED	
CN(C)C(=O)c1cccc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	742261542	MDCWFQPVQDCTSR-UHFFFAOYSA-N	419.912	5.105	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	743037717	UKZFFYMXMDWTET-UHFFFAOYSA-N	420.469	5.257	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1	744064475	XCQGHDPDGFKQJN-GOTSBHOMSA-N	423.541	5.798	30	20	HKED	
Cc1ccc(CCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	746415505	DQGFNNCWGWDAPF-LJQANCHMSA-N	416.493	5.370	30	20	HKED	
O=C(Cc1coc2cc(F)ccc12)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	748299428	PFQOMOFNPYZKRP-GHMZBOCLSA-N	411.317	5.140	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cc(C)on2)cc1	750706066	OXZOIKLNUBKYFO-FQEVSTJZSA-N	418.453	5.025	30	20	HKED	
Cc1nc(CCC(=O)OCC#Cc2ccc(C(F)(F)F)cc2)oc1-c1ccccc1	750884232	AYKGUKAWABCIJN-UHFFFAOYSA-N	413.395	5.196	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1C	750908943	JEKUZEKBMBHSAX-MDZDMXLPSA-N	405.445	5.558	30	20	HKED	
Cc1nn(C)c2ncc(/C=C\C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12	750915916	JEEPPYDDMBPRHH-ARJAWSKDSA-N	413.321	5.210	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(F)cc1F	752482441	HRDPEDMANMJKDW-UGSOOPFHSA-N	407.445	5.330	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc1C#N	752795731	IJYANBWCBIIYDR-AWEZNQCLSA-N	424.888	5.917	30	20	HKED	
Cc1noc(C)c1CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	753876203	KNQKEVALSXJERY-NRFANRHFSA-N	422.916	5.355	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1	757887545	URAPTUPVVCXYNO-JOCHJYFZSA-N	417.896	5.478	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2sccc2c1	761038888	NWCKFPLGYFUYAZ-OAHLLOKOSA-N	402.447	5.177	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C\C(=O)c2cc(Br)ncc2F)ccc1OC	762426506	PSHCSZWPDQUNHT-SMYYYNMVSA-N	408.267	5.065	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1	763319475	IIKOCGBOUTWHER-UHFFFAOYSA-N	411.571	5.070	30	20	HKED	
CCOc1ccc(C(=O)/C=C\c2csc(-c3ccc(OC)cc3)n2)cc1[N+](=O)[O-]	765615367	FRPCDYJTSOZLTG-YFHOEESVSA-N	410.451	5.022	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)nc1-c1ccccc1	769468088	AFPUDOGKWNZLIB-AUSIDOKSSA-N	415.537	6.093	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)c2)cc1	772603632	DGIVEXJVXYOGKH-QHCPKHFHSA-N	420.896	5.047	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(C)ccc2OC(F)F)ccc1OC	772978455	FJTIZXHJECXUKW-RDJZCZTQSA-N	404.457	5.137	30	20	HKED	
CCN(C(=O)Cc1ccccc1CC#N)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	776921461	TWTGAHUHIFRLHV-HHHXNRCGSA-N	411.549	5.452	30	20	HKED	
C/C(=C\c1ccc(C)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	779197616	YMGPTJMTBAOVRM-JHNUBAFKSA-N	410.473	5.538	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ncc(Cc2ccccc2Cl)s1	780016833	SSAHVTRQFSFULZ-CYBMUJFWSA-N	412.902	5.322	30	20	HKED	
N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3cccc(C(F)F)c3)c2)cc1	780388372	YZAUWLQKALGBRO-UHFFFAOYSA-N	400.406	5.089	30	20	HKED	
COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	783358124	XVMZESICVONCIS-SFHVURJKSA-N	424.909	5.311	30	20	HKED	
CCCc1c(NC(=S)Nc2cccc(Cl)c2C)cnn1-c1cccc(C#N)c1	783953399	VINSLOXLHNZQFM-UHFFFAOYSA-N	409.946	5.467	30	20	HKED	
COc1cc(C(=O)/C=C/c2cc(Br)c(Cl)s2)cc(OC)c1OC	790209531	RXDUSQXRDQMINS-SNAWJCMRSA-N	417.708	5.086	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1	790538330	FYJCOTCFTJHWDM-GOSISDBHSA-N	423.831	5.224	30	20	HKED	
C=CCC1(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)CCC1	791564208	CLFMQEDFOPVXSQ-UHFFFAOYSA-N	412.555	5.543	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC1(C#N)CCOCC1	797559264	KPKKMBFIHYLAAM-UHFFFAOYSA-N	423.296	5.078	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C\c2csc(-c3cccc(OC)c3)n2)C(=O)c2ccccc21	802707725	OOJDARMEMBNBIN-HZBHDWBUSA-N	419.502	5.135	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2cc(C)ccc2s1	810530081	UZGWXOYDDRBTLK-CQSZACIVSA-N	412.898	5.141	30	20	HKED	
CC(C)(C#N)CCCOC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1	811361636	RULZMFPVYATKGJ-UHFFFAOYSA-N	408.926	5.753	30	20	HKED	
CCCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2ccccc2C)cc1OCC	818619064	XOSUGKYKCHMDAR-INIZCTEOSA-N	418.921	5.214	30	20	HKED	
N#Cc1cc(Br)ccc1Cc1nc(-c2ccsc2C(F)(F)F)no1	904923712	XJEXFIKNIBGCDY-UHFFFAOYSA-N	414.206	5.042	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2s1	916847583	KIOCZSWFUDIZSY-CMPLNLGQSA-N	407.347	5.960	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(C2SCCCS2)cc1	916909182	KRIRAIWBUBRPKJ-HNNXBMFYSA-N	416.955	5.170	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1OC	918712473	ARORWEYPYUJGKI-TWGQIWQCSA-N	415.898	5.289	30	20	HKED	
CC(C)c1cccc(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	920806987	VGLFNJFENAZGDM-INIZCTEOSA-N	412.461	5.467	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1	1786465361	PDYZFVVMWHKXCX-FQEVSTJZSA-N	416.512	5.140	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1	1791727346	GRXISFVAURNFKP-UHFFFAOYSA-N	414.505	5.374	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]1	1815336102	JOIYOKSOEAKUNX-MRXNPFEDSA-N	424.536	5.076	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1824139032	ATGVQHFUGXCKPS-OAQYLSRUSA-N	414.615	5.058	30	20	HKED	
Cc1c(/C(O)=N/c2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)sc2cccc(F)c12	22302016	FKUXXAWMKBKDNA-TXEJJXNPSA-N	419.547	5.051	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(COCc3ccco3)c2)c1C#N	58478706	FIMIDZWRDFISRS-UHFFFAOYSA-N	419.506	5.115	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)c1	65749460	ACNNDPVKPABHBN-UHFFFAOYSA-N	401.388	5.017	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc(OC(F)F)cc1	97392298	NPSAUXYPMOHEEU-UHFFFAOYSA-N	423.419	5.227	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc1OC	117494850	PWZFNDUYOKFTBS-NTUHNPAUSA-N	404.466	5.184	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	195633012	YGMHOBVHYVABKG-UHFFFAOYSA-N	412.864	5.170	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cccc(OCc3ccccc3F)c2)c1	236899651	AXANBESSNGPFAI-JOCHJYFZSA-N	404.485	5.375	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)ccc1OC1CCCC1	237276248	BQUMVGNBADZPCR-IBGZPJMESA-N	407.558	5.217	30	20	HKED	
Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1ccccc1	301577818	BFLNTHFPHXKTBJ-UHFFFAOYSA-O	416.353	5.640	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1cc(Br)cs1	302945189	CLLGTZOXFWQCKN-UHFFFAOYSA-N	410.243	5.144	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(SC(F)F)cc1	303321727	HVPOIWVJZCJCBW-ZDUSSCGKSA-N	407.511	5.446	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCCCC[C@H]3c3ccncc3)c2)c1	303638236	QGQKTOHPUUMLHF-VWLOTQADSA-N	411.505	5.290	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1	303698052	NVDOZYHVRGRGAG-DEOSSOPVSA-N	403.501	5.211	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1	303922963	UACVDHMTONQXAE-UHFFFAOYSA-N	424.544	5.129	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)s1	430645107	NTOFHWQMOHQNHO-GOSISDBHSA-N	403.507	5.183	30	20	HKED	
CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](CCCC#N)c1ccccc1	431304310	FYBAEYQVJYVVOU-DNQXCXABSA-N	418.585	5.021	30	20	HKED	
Cc1c(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)sc2ccc(C#N)cc12	431350894	PQYPTEZKFYBWOJ-UHFFFAOYSA-N	414.534	5.176	30	20	HKED	
CSC[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	432682896	VLOYMTXREWKNBD-OXJNMPFZSA-N	413.974	5.602	30	20	HKED	
Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	435553561	HCYQANUDVSNVRF-UHFFFAOYSA-N	414.509	5.283	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	438069096	ZTRCRPGQYOQNPB-NOXFTYBFSA-N	423.582	5.536	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1	438079837	YJORLKGRCGIFHM-GUXCAODWSA-N	413.518	5.214	30	20	HKED	
COc1ccccc1CC1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	438651800	NLTRYSFNIVFUMU-UHFFFAOYSA-N	417.431	5.072	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cnn1-c1cccc(C#N)c1	439678814	RCLYFLRBCAXCJZ-GCJKJVERSA-N	413.525	5.106	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	440488567	QZHZIUZBLORDAQ-NSHDSACASA-N	405.310	5.288	30	20	HKED	
COc1cc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)ccc1C#N	440638518	ODBNDIUETYRWHC-INIZCTEOSA-N	413.237	5.113	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	440928440	NUGGYETVBXQWTH-MYKUNDNFSA-N	406.917	5.447	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc([S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1	442215842	QEWODORWRCOVHG-WRHNGFHOSA-N	410.461	5.272	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)n1	442599738	NPKCPNPLTDFUDV-LBPRGKRZSA-N	404.278	5.436	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)c1ccc(Br)s1	463761126	UBWONZSPEJLLIE-WFASDCNBSA-N	405.361	5.293	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nccc(-c3ccco3)n2)c1	464447051	KWRAGODXBOVLDK-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C[C@@H](C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl)c1cccc(C#N)c1	464529418	PNRMRWNPABIBQS-CYBMUJFWSA-N	412.276	5.795	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1ccc(C#N)cc1	466593417	PPPRDNGZJPAJHV-YJYMSZOUSA-N	416.294	5.068	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ncccc1OCCCC#N	466602774	YRMMSAHSUSAMAO-CQSZACIVSA-N	406.408	5.008	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1Cl	467610852	OOPIUFVGUDAMSR-KRWDZBQOSA-N	415.831	5.101	30	20	HKED	
CC(C)(NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1	467694917	CLANTONOWVDJRK-UHFFFAOYSA-N	415.334	5.377	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(CSC2CCOCC2)c1	467902920	YMTODINCKHFZNE-UHFFFAOYSA-N	410.583	5.709	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1)OCC	468612368	PXHDOJGFBMCSHY-KRWDZBQOSA-N	419.319	5.255	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CCC[C@]12CCCCO2	468642764	LZANLCCLNHLFQH-WIYYLYMNSA-N	416.930	5.152	30	20	HKED	
CCOc1ccc(C2=CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)cc1	469738551	WKHNTHQFPPIRKM-UHFFFAOYSA-N	413.521	5.273	30	20	HKED	
Cc1sc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)nc1-c1cccc2ccccc12	471157519	SDTFMLZDXSEGSL-FQEVSTJZSA-N	422.513	5.464	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc2ncccc2c1	471289874	XUOQWHRLQSMHEJ-UHFFFAOYSA-N	422.488	5.316	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1	471659944	SVUPUGQCASKQQB-LBPRGKRZSA-N	419.337	6.050	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1)c1ccccc1	474546242	WQJRPNBYQARUEF-QFIPXVFZSA-N	402.542	5.399	30	20	HKED	
CN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(C)(C)C#N)cc1	477545577	WKBLDVFIXFXVPC-UHFFFAOYSA-N	404.283	5.053	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1cccc(F)c1	480944298	ZETVSQCMYJUNPW-HNNXBMFYSA-N	410.861	5.073	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	482154970	AHVSHRUFEGUTIA-UHFFFAOYSA-N	423.532	5.849	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	483490526	ZZJHFTZVRZRIGT-INIZCTEOSA-N	402.397	5.337	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2)c1ccccc1	484093897	KUXHBBYWNYIWAJ-KRWDZBQOSA-N	404.901	5.040	30	20	HKED	
O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1	484855613	HYMGZTDTIHNEBU-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)s2)c2ccc(C(F)(F)F)cc2)cc1	486801995	VZMBNXPGNWKFGO-FQEVSTJZSA-N	402.441	5.526	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nnc(-c3cccs3)n2C2CC2)c1	491571793	HRGQVSMLIBDAPC-UHFFFAOYSA-N	417.357	5.268	30	20	HKED	
N#Cc1cccc(-c2cnc(CNC(=O)[C@@H](Sc3ccccc3)c3ccccc3)[nH]2)c1	494620083	MYEKAIHOWJBFNW-DEOSSOPVSA-N	424.529	5.098	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)sc2C)cc1	497906184	WNQMQNPGZADFFD-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
C=CCC[C@H](NC(=O)NC[C@@H](C)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	506375530	QLUHURNMMWOAKS-ACJLOTCBSA-N	409.452	5.420	30	20	HKED	
C=C(C)[C@@H](Cc1nc([C@H](Oc2ccc(Br)cc2)C(C)C)no1)OCC	508643158	DOPUAOKMYOXDTM-SJLPKXTDSA-N	409.324	5.132	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl	509416563	NTMYOUDAXRVCSO-UHFFFAOYSA-N	403.869	5.049	30	20	HKED	
COCc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	513648467	RYXRVUDZODQSAR-NSHDSACASA-N	424.334	5.210	30	20	HKED	
N#C[C@H](C(=O)c1ccnc2ccncc12)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	519675350	PSYAQGRFYNSSKM-QQYMGJJXSA-N	414.534	5.044	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1cccc(COC2CCCCC2)c1	520649878	AMLXKKJADZODOR-UHFFFAOYSA-N	421.541	5.088	30	20	HKED	
COc1ccc2cc(CN(C)C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1	520938886	FSJWQAXPPHCFGB-QGZVFWFLSA-N	419.550	5.907	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(Br)cc1Cl	521435477	HHOQRHHDJFKUMT-UHFFFAOYSA-N	423.738	5.009	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1	521811870	XMSUYGZEVSVLRT-JJXUHFIVSA-N	413.518	5.262	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1	522579457	NKHOLVAARONUQB-UHFFFAOYSA-N	408.404	5.299	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(NC(=O)C2CC2)cc1	523121594	IAZVHOWOQJLKNS-QGZVFWFLSA-N	424.504	5.141	30	20	HKED	
COc1ccc(Br)cc1-c1nc(CN(CCC#N)CC(C)(C)C)cs1	533426762	ZZRUAOKGUBSESX-UHFFFAOYSA-N	422.392	5.343	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1c(C)noc1C	534160154	VHMBEURQTRODLP-GOSISDBHSA-N	409.873	5.490	30	20	HKED	
COc1ccc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1OCCCC#N	535807272	CDTZHGOGBPWCKL-SFHVURJKSA-N	423.488	5.038	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1coc(-c2ccccc2Cl)n1	538449002	ZJEMTBQOKCNVKK-UHFFFAOYSA-N	403.825	5.307	30	20	HKED	
N#CCCn1cc(CNc2ccccc2OCc2cscn2)c(-c2ccccc2)n1	539934271	BMRWUFRWSDQYOS-UHFFFAOYSA-N	415.522	5.111	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C3)cs1	540062100	YBIXEESTWAGBNS-UHFFFAOYSA-N	422.579	5.571	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@@H](C)C1	540359261	GXEYKDSQYAAQRD-NYQDVAGCSA-N	400.526	5.574	30	20	HKED	
C[S@](=O)Cc1cc(NCc2cccc(OCc3ccccc3C#N)c2)ccc1Cl	543066724	LANJJFADFQSZAJ-LJAQVGFWSA-N	424.953	5.281	30	20	HKED	
CCOCCOc1ccc(Cl)cc1NC(=O)c1sc2ccc(C#N)cc2c1C	550248080	SXWBGBRFAJCWNR-UHFFFAOYSA-N	414.914	5.402	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCOc1ccc(F)cc1	553404287	VVMAVARBZFIVJF-INIZCTEOSA-N	401.507	5.010	30	20	HKED	
N#CCCOCCSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1	554969982	HUSDDXDRGUWTDI-UHFFFAOYSA-N	419.337	5.263	30	20	HKED	
C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(CC#N)CC1	558676251	ITYLRCVZNFIQSH-UHFFFAOYSA-N	407.518	5.129	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1)C(F)(F)F	562495754	GMKQUXUKSBKDAM-KRWDZBQOSA-N	414.452	6.140	30	20	HKED	
CCC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1	562495803	OPPOKOGTIKCOND-DNQXCXABSA-N	404.558	5.007	30	20	HKED	
Cc1ccccc1C1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCOCC1	564095449	USCQIYDHLSQGOZ-UHFFFAOYSA-N	412.489	5.346	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCn2c(cc3ccccc32)C1	576949812	SLWGANVIAOEKGP-QGZVFWFLSA-N	404.539	5.473	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1ccc(F)cc1	592973875	KKGFVKKCRDWDNW-MRXNPFEDSA-N	422.460	5.374	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)c1	603742955	VZJPEBCYEKTJNX-UHFFFAOYSA-N	413.389	5.044	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	603755243	YUFICXWXJYGPPR-RTBURBONSA-N	418.434	5.908	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)o2)cc1C	603897169	MPSWSTHLLXUGMI-UHFFFAOYSA-N	420.538	5.009	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	603993448	VZVSYOLWGKDPEC-IBGZPJMESA-N	423.516	5.492	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	604083571	MEYNJSIBNOVMIA-NRFANRHFSA-N	402.523	5.283	30	20	HKED	
C=CCN(C(=O)c1sc2cc(F)ccc2c1Cl)c1nc(C(=O)OCC)cs1	604429864	AWEYQBBZQFWVKW-UHFFFAOYSA-N	424.906	5.160	30	20	HKED	
CCC[C@@H](C#N)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1	608815484	RKZXCVFAXXLHSK-AWEZNQCLSA-N	421.353	5.183	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccnc1	609080629	QGQGQVVBDRCKBS-HNNXBMFYSA-N	406.873	5.068	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3c(O)n2)cc1Cl	609163875	BILQPRWYDWHLCT-HXUWFJFHSA-N	413.864	5.502	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCSc4ccccc43)c2)cc1	609208849	MTZNGFDSRZZPGI-NRFANRHFSA-N	401.491	5.709	30	20	HKED	
Cc1cccc(C)c1OCCSCC(=O)Nc1ccccc1S[C@@H](C)CC#N	609387600	WCXPCJMZIDZOMP-SFHVURJKSA-N	414.596	5.448	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCOc2ccccc21	609408773	GVNSVOICBZNRGP-SFHVURJKSA-N	400.503	5.006	30	20	HKED	
N#Cc1ccccc1OC1CCC(NCc2ccccc2OCc2ccccn2)CC1	609544882	UNWBTKBNAGUDLM-UHFFFAOYSA-N	413.521	5.012	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3cnco3)cc2)c1	609723695	UHOASTOJBXZDAL-UHFFFAOYSA-N	415.836	5.911	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1Cl	609856823	QLVGRNIHCYFQRO-IBGZPJMESA-N	404.872	5.805	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H](c2ccco2)C1	614137774	SURYBSUIHLGBGM-UZLBHIALSA-N	402.454	5.344	30	20	HKED	
C[C@H](CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	619694690	CRSMVOPBNPXZMI-PBOSXPJTSA-N	414.365	5.138	30	20	HKED	
CN(C(=O)[C@@H]1Cc2ccc(F)cc21)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	684637774	WVXNILLSGZMYNN-CVEARBPZSA-N	405.313	5.246	30	20	HKED	
CCS[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(C)C	727626639	DXCJXKHXZHFCJV-CXAGYDPISA-N	413.395	6.071	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccc2C)n1	727628784	YUJJLMINGJDJES-IBGZPJMESA-N	417.534	5.205	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)cc1	728392664	LSITXFPCDAWFFB-UHFFFAOYSA-N	412.424	5.360	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1	728739201	XNILNYXJMUXTPK-HSZRJFAPSA-N	417.459	5.817	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2F)s1)c1ccc(N2CCC(O)CC2)cc1	730085688	UONWTUAYNOUSSR-LUAWRHEFSA-N	407.510	5.411	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730416809	INLMUHZCJFHHLQ-HNNXBMFYSA-N	424.888	5.132	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1	730997221	DJSMWHHZUFYYLU-INIZCTEOSA-N	416.568	5.061	30	20	HKED	
C[C@H](C#N)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)cc1	731298453	IZMJTXLRLXEFOE-QRQCRPRQSA-N	403.869	5.402	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccc2ccccc2c1	731542041	RUWOBSRFTOPMBU-HRAATJIYSA-N	405.523	5.089	30	20	HKED	
Cc1c([C@@H](C)OC(=O)CCC(=O)N(CCC#N)c2ccccc2)oc2ccccc12	733686876	NIWUUQMHCNIMQB-GOSISDBHSA-N	404.466	5.073	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc2ccccc2s1	734210985	PGLKXXCMMRTVBP-OAHLLOKOSA-N	414.490	5.843	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(C#N)cc1	734738640	KYWHEDWSEOEPIF-HUUCEWRRSA-N	410.470	5.201	30	20	HKED	
COc1cc2c(cc1NC(=O)CS[C@@H](C)c1ccc(C#N)cc1)oc1ccccc12	735675577	LGSCMAAQQJWVQP-HNNXBMFYSA-N	416.502	5.899	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cnc4ccc(Cl)cn34)s2)cc1	737443119	GUIXGUOXFRCORU-TWGQIWQCSA-N	409.898	5.324	30	20	HKED	
CC(C)=CCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	744033710	VKWRNLPWTCNXAU-LJQANCHMSA-N	417.292	5.300	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)c1cccc(Cl)c1	745304922	GWLTYAKSJCBJBK-HUUCEWRRSA-N	416.930	5.020	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(Cc2cccc(F)c2)C2CCCC2)c1=S	746065511	YIABEBJEIOWNRV-UHFFFAOYSA-N	423.561	5.203	30	20	HKED	
CCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCc2ccccc21	746659537	KJWAHXBEORPCPA-CLJLJLNGSA-N	409.533	6.273	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1c[nH]c2cc(F)ccc12	749453037	PSIYSHYHYMNWKH-FLIBITNWSA-N	408.436	5.451	30	20	HKED	
COc1cc(CSCc2ncc(C(C)C)o2)ccc1OCc1cccc(C#N)c1	754250054	SFVLVZZSNMREHB-UHFFFAOYSA-N	408.523	5.691	30	20	HKED	
CCCCSc1ccc(Cl)cc1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1	755148770	RYGQGBBFQXCIHS-OAHLLOKOSA-N	422.959	5.030	30	20	HKED	
C[C@@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1ccc(C#N)cc1	756454313	CFZVQZZINCRKOL-GHMZBOCLSA-N	424.136	5.201	30	20	HKED	
C=C[C@H](CC(=O)OCc1csc(-c2cccc(OC)c2OC)n1)c1ccccc1	758919430	GBKQDCADOZKQON-MRXNPFEDSA-N	409.507	5.230	30	20	HKED	
N#CCc1ccccc1CC(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1	761127059	TYNCDSOJJRCVRN-JOCHJYFZSA-N	410.395	5.042	30	20	HKED	
N#Cc1cc(NC(=O)c2cc3ccccc3c3cccnc23)c(Cl)c([N+](=O)[O-])c1	764313406	XPFLYUPXHKXRBW-UHFFFAOYSA-N	402.797	5.074	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2c(F)cccc2F)cc1	767868321	DFAAGYAJOGQCGO-SFHVURJKSA-N	414.415	5.263	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccccc3C)nc2C)c1	773824771	UCPIMAOVBFQEKH-SFHVURJKSA-N	405.523	5.038	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(C3CCCCC3)n2)cc1	776516279	LMCXPBICFDFMOC-OAQYLSRUSA-N	406.530	5.001	30	20	HKED	
CCCOc1ccc(CN(Cc2ccccc2)C(=S)Nc2ccccc2C#N)cc1	777929302	SSKKNFSPKZCCFW-UHFFFAOYSA-N	415.562	5.746	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1	780160606	DXJDTTROZUJPBX-INIZCTEOSA-N	406.869	5.462	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(OCc2cccc(F)c2)c1	780511683	RRPSLDIKPAPJNL-MRXNPFEDSA-N	405.429	5.340	30	20	HKED	
Cc1nnc(-c2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)o1	782581452	KWNFNIZMWWJXGE-MRXNPFEDSA-N	423.476	5.466	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1	789450773	QNAQQMJQHTWJGT-HSZRJFAPSA-N	418.537	5.899	30	20	HKED	
COc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	793033002	STUBKBOKBWPEFV-QGZVFWFLSA-N	409.486	5.068	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1	793584681	GXRQXWSVEUGLBY-YLJYHZDGSA-N	407.514	5.298	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)c1nc(Br)ccc1F	794973616	XFOPMXHBCQRALL-FNORWQNLSA-N	407.239	5.142	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)OCc2cc(Br)cc(C#N)c2)cc1	801705163	KWCVCUSSCYCUEV-AWEZNQCLSA-N	414.299	5.006	30	20	HKED	
Cc1cc(C(C)(C)NCc2cc(Cl)ccc2OCC#N)ccc1Br	810131447	YDJUJYYJDOPYOI-UHFFFAOYSA-N	407.739	5.338	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(Cl)s1	839392563	KQVLKFCZXBOIQY-UHFFFAOYSA-N	420.346	5.684	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccccc2)cs1	915102388	RXBIMSGOUUQQFJ-GOSISDBHSA-N	422.600	6.169	30	20	HKED	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCC#N)c2)cc1	916410733	CKFYDZQDPQZYJN-UHFFFAOYSA-N	422.488	5.256	30	20	HKED	
C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	916838606	XTBGLTMXIRIUNC-LJQANCHMSA-N	403.501	5.819	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2c1C	916942375	KGNSIZHDOOPQGF-KRWDZBQOSA-N	400.265	5.053	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2nc(-c3cccs3)oc2C)cc1	916948253	FMMLEIDQGIZHDI-KDOFPFPSSA-N	421.522	5.115	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1	917026916	SMFWYIWAIKFXNL-PXNSSMCTSA-N	404.535	5.886	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1Cl	920819505	QFXVDBYDRFRORN-NZQKXSOJSA-N	415.880	5.452	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C)cc2)CCC1	1788816467	OQZXLNSDPMGCLS-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1	1820978055	FABRSARJZMUXDP-YLJYHZDGSA-N	414.594	5.221	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1	1823915168	BGGGFJXQYZYTKU-JTSKRJEESA-N	416.993	5.094	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2C)CC1	1825783639	LMLJELHZBSUJRE-NHCUHLMSSA-N	414.615	5.058	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(C)c2)c(C)c1	10168727	AFRSXAGNFPXCJD-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(C)c2)c1	10172583	JDIQAEPVTNRJRG-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
COc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)c1	11261941	BMFRKJTUJZLGIP-UHFFFAOYSA-O	411.572	5.020	30	20	HKED	
C=CCN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1ccc(Cl)s1	16341646	KJHYGKFGDOXFES-UHFFFAOYSA-N	423.287	5.700	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1	19683042	XEMDLBLDHQMUBV-UHFFFAOYSA-N	416.531	5.295	30	20	HKED	
COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cccc(C#N)c2)cc1Cl	26323787	KVKRNXOXJLYVQN-HSZRJFAPSA-N	419.912	5.032	30	20	HKED	
Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)c3nc(C)cs3)cc2[N+](=O)[O-])cc1	41521788	WDJQNMABQCBIEY-INIZCTEOSA-N	409.492	5.309	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2ccc(F)cc2c1C	47974622	HKTIODLPCGNVFS-UHFFFAOYSA-N	401.397	5.500	30	20	HKED	
COc1c(C)cnc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)c1C	58958653	CEUDXBMRSFQUCT-UHFFFAOYSA-N	417.534	5.002	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC(C)C	65680157	HICFJDJENCIRFN-UHFFFAOYSA-N	402.450	5.399	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1	116525168	LTRRWXGSGHQDOI-JOCHJYFZSA-N	402.475	5.015	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1	195623512	KQMUAJPNRYJZRY-UHFFFAOYSA-N	418.500	5.677	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1	429358747	XITKFEKEUWJTAS-OAHLLOKOSA-N	417.469	5.171	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	429683214	KOHIWQRAHWGRJD-AAEUAGOBSA-N	417.943	5.099	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1	432675984	DPQSUJLFLDKFCI-NSHDSACASA-N	420.288	5.004	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	432964875	JXSRYYLPFUOHNH-UHFFFAOYSA-N	411.371	5.293	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CC[C@H](CC(F)(F)F)C1	434183678	OQALBGKLJYHWCL-SKDRFNHKSA-N	422.291	5.293	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1O	436342030	WKSYIHHHTZHHOH-SFHVURJKSA-N	407.857	5.354	30	20	HKED	
Cc1cnc([C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)s1	438025316	VJHPACGCTAJHBA-FQEVSTJZSA-N	404.495	5.388	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)cc1	438031409	GDPBEXNGZZHIOP-DQEYMECFSA-N	422.488	5.654	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	438157225	ILXCTPYCIOOYOB-IRLDBZIGSA-N	418.541	5.283	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1F	438659880	GAIOFLIGCCMCRL-UHFFFAOYSA-N	422.485	5.537	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cs2)cc1	443884111	WYDHHMZTHRHAQR-UHFFFAOYSA-N	401.413	5.190	30	20	HKED	
Cc1ccccc1Cc1nc(CNc2cccc(OCc3cccc(C#N)c3)c2)no1	444418018	ICYNANWBQIOXGH-UHFFFAOYSA-N	410.477	5.032	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CCCC1(C)C	444842382	ZCDNDYJFIPSSBK-QFIPXVFZSA-N	421.541	5.546	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	461315979	KGFNDAMGHVLBAH-KKSFZXQISA-N	404.441	5.093	30	20	HKED	
CC[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	461888149	JZZCDWBDQBVOEV-OALUTQOASA-N	408.571	5.214	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Br)s1	463351127	ZLTVKFBJGAXEGN-CQSZACIVSA-N	411.324	5.048	30	20	HKED	
C=CCOCCCC(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1	463493880	ZTAGYLRLHQOMDH-UHFFFAOYSA-N	417.431	5.025	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Sc1ccccc1	464272811	MDFPTURWDPNJBP-KRWDZBQOSA-N	404.560	5.620	30	20	HKED	
Fc1ccc(-c2nc(CSCCOCC(F)(F)C(F)(F)F)co2)cc1F	468627840	BZWIAESANSTXDF-UHFFFAOYSA-N	403.319	5.067	30	20	HKED	
CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)ccc1OC	469353234	PPJMENLQZWPFNH-HXUWFJFHSA-N	411.933	5.495	30	20	HKED	
Cc1nc2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)ccc2n1Cc1ccsc1	472507516	VMDDKKASOVSTAR-KRWDZBQOSA-N	412.474	5.086	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](COC)Cc1ccccc1	472753447	OPLRZEWRNGCVLO-AZUAARDMSA-N	411.571	5.050	30	20	HKED	
C=C[C@](C)(CCOC)C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	473598634	KTXHLQJXTZWQRE-HXUWFJFHSA-N	408.420	5.084	30	20	HKED	
N#Cc1ccc(CCC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	474257884	GWMAIRQVPDXAET-QGZVFWFLSA-N	414.349	5.320	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1	475104622	VQUKQURWSCRJPN-LJQANCHMSA-N	417.896	5.618	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C	476172643	ZDBQDEIRJJLOQF-OAQYLSRUSA-N	412.961	5.585	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cc(NC(=O)CC)ccc1Cl)c1ccc(F)c(F)c1	480338869	SSLIFUOVUCMBAA-IBGZPJMESA-N	407.848	5.406	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	480583016	GGTZWVMSLHFZHE-IFXJQAMLSA-N	403.404	5.545	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nc2ccccc2s1	483305514	BZJTVCUEKREDRB-INIZCTEOSA-N	406.413	5.857	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2cccc(Cl)c2)on1	483475300	LOVYQNPAHXLWDO-UHFFFAOYSA-N	413.909	5.383	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C	485277025	YGWYRHFCGOLGHQ-UHFFFAOYSA-N	420.557	6.239	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1	486463632	DILSKGNIUOHNHK-QGZVFWFLSA-N	423.513	5.174	30	20	HKED	
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	487222969	SGCPUVOESPNBCO-HNNXBMFYSA-N	424.551	5.170	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccc(Oc2cccc(F)c2)nc1	488221646	SAVHIKDVEJKDHE-UHFFFAOYSA-N	406.367	5.323	30	20	HKED	
C[C@H](C1CC1)n1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1	490976216	RARCTLOWGALBOK-CQSZACIVSA-N	406.873	5.424	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1	495437429	BMRRVVNUOYCRGI-IRXDYDNUSA-N	411.596	5.126	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1Oc1cccnc1	496472747	SAJTUYFMNJHJJN-UHFFFAOYSA-N	414.534	5.535	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1	498142401	SEKRLWNOSKWIER-NRFANRHFSA-N	404.938	5.300	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1	499579651	PIQXJNSNNFYWDO-UHFFFAOYSA-N	423.561	5.121	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC=C(c2ccc(C#N)cc2)CC1	502520420	BLWWCBKSDFYIIG-UHFFFAOYSA-N	401.554	5.533	30	20	HKED	
CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	503199128	LMHYVNPTGIMJHU-UHFFFAOYSA-N	406.511	5.033	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](c4ccccc4F)C3)c2)cc1	504050482	GGJQPINNZZNTKD-GOSISDBHSA-N	401.441	5.511	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c12	505458147	RLWWKWMIFBIRGP-CQSZACIVSA-N	412.405	5.067	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1	507842551	XXTFZDGEKNOAMF-UHFFFAOYSA-N	418.928	5.018	30	20	HKED	
CCN(C(=O)CCSc1ccccc1Br)[C@H](C)c1ccc(C#N)cc1	509564370	NAALNSJLARVHLV-OAHLLOKOSA-N	417.372	5.413	30	20	HKED	
CN(CCCCc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	509650158	FECYDEJSMOGIOM-UHFFFAOYSA-N	404.539	5.092	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3ccccc3Cl)s2)cc1	511270328	ZBGPJOXQJRPQKE-FQEVSTJZSA-N	422.941	5.628	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(C)(C)Oc1ccc(F)cc1	511562652	MHFGOPYLAMTMME-UHFFFAOYSA-N	404.441	5.594	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3coc4ccccc34)c2)cc1	512728897	HAKLNCLRFHVWND-UHFFFAOYSA-N	411.461	5.400	30	20	HKED	
N#CC1(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)CCCCC1	513048040	WLDXAWVCFXRSRD-UHFFFAOYSA-N	401.554	5.040	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(Sc3ccccn3)o2)cc1	513430676	YEDSLXBDCOMBET-UHFFFAOYSA-N	405.523	5.252	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2Cl)cc1	516399373	RHPJLFPJKHANOH-UHFFFAOYSA-N	416.868	5.452	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cnn1-c1cccc(Cl)c1	517344056	YKEXVUJUUSOODK-QGZVFWFLSA-N	419.699	5.136	30	20	HKED	
C[C@H](SCCOc1ccccc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	518484272	PFRNHYCASZOYIS-ZDUSSCGKSA-N	423.519	5.402	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519029776	XRNRCJYSHVOMEE-WAIKUNEKSA-N	411.461	5.197	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)oc2ccc(F)cc12	520538014	VVYJVXFUULBSSF-JOCHJYFZSA-N	414.436	5.454	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Br)cs2)sc2c1-c1ccccc1CC2	520682460	PKKVSCATROGXDG-UHFFFAOYSA-N	415.337	5.462	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1	520807991	XEQSTXIVKAGUOE-UHFFFAOYSA-N	413.546	5.507	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1	521102078	HRAZUICTARUVGM-JKSUJKDBSA-N	404.297	5.043	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](CC)c1ccc(F)cc1F	531169930	SCTDFFVCUZPHRS-LJQANCHMSA-N	406.546	5.014	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2csc([C@H]3CCCO3)n2)c1	535209696	GGIQBUFKJVBDQY-HXUWFJFHSA-N	423.925	5.367	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cnc(-c4cccnc4)s3)c2C#N)C1	536423912	JGYMRJILMGTLHK-CQSZACIVSA-N	422.579	5.542	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)Cc3cnc4ccc(C#N)cn34)s2)cc1	536675388	JEKFBCKSVCVKNF-QGZVFWFLSA-N	401.539	5.139	30	20	HKED	
CC(C)c1ccccc1NC(=O)C[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1	536880046	XNVQEELUJNVVER-QGZVFWFLSA-N	402.460	5.187	30	20	HKED	
CCN(C(=O)c1cc(C2CC2)nc2ccc(OC)cc12)c1ccc(C#N)c(Cl)c1	539174524	XYDIHBLAKUZLRO-UHFFFAOYSA-N	405.885	5.313	30	20	HKED	
N#C[C@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1	542201309	VPXFWSLUBLJUQL-HNNXBMFYSA-N	405.763	5.008	30	20	HKED	
C[C@H](Oc1ccccc1C#N)c1nc(-c2cc(Cl)ccc2OCC(F)(F)F)no1	547179877	XYMIEONFTYVJQZ-NSHDSACASA-N	423.778	5.343	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1Cl	551398796	XIVWITWVCDPGOJ-INIZCTEOSA-N	413.820	5.635	30	20	HKED	
C[C@]12CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C[C@@H]1C2(F)F	552964778	VVLOGFDOFYFBEM-ICSRJNTNSA-N	402.828	5.121	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC=C(c3ccco3)C2)cc1Cl	558287775	HZXUNBJROYOUDY-NRFANRHFSA-N	417.896	5.910	30	20	HKED	
C=CCC[C@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1	571692624	KGVZPSVPNKVNFX-PMACEKPBSA-N	401.428	5.589	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CNC(C)(C)c2cccc(C(F)(F)F)c2)c1C	576974827	PVAZEQGCBPDKRZ-UHFFFAOYSA-N	417.475	5.094	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[C@H]1[C@@H]1CCCO1	576994778	BHKQJDCOLQFZGA-SFTDATJTSA-N	410.901	5.034	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1	583336378	KCXGCKLAWSZOFG-AWEZNQCLSA-N	411.383	5.364	30	20	HKED	
N#Cc1cnn(-c2ccccc2NC(=O)c2cc3sc4ccccc4c3s2)c1N	588835041	KHOLJMMXFYXHOE-UHFFFAOYSA-N	415.503	5.008	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	591842688	ZKXZBJBIWSSBFP-JTQLQIEISA-N	408.317	5.844	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1	601187271	JXGISEIIODFXSL-RUZDIDTESA-N	411.505	5.249	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(COc2ccccc2C#N)o1	603831687	OSBAIRXTNPWAOI-UHFFFAOYSA-N	414.383	5.021	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1	604026615	DGXLJPUBMRSBKP-UHFFFAOYSA-N	407.813	5.093	30	20	HKED	
Cc1cccc(C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCCC2)c1	608847539	PCSXTHCTSMDAHO-UHFFFAOYSA-N	411.505	5.813	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc2ccccc21	609161601	QRUDGDQPXQBLLS-UHFFFAOYSA-N	422.513	5.618	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)C1CCCC1	609164435	OEFCDVBPEBRZEY-KKSFZXQISA-N	423.944	5.019	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCSc4ccccc43)c2)cc1	609208851	MTZNGFDSRZZPGI-OAQYLSRUSA-N	401.491	5.709	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1nc(O)c2ccc(C(F)(F)F)cc2n1	609384635	ATGPGZKPCVLSHM-LBPRGKRZSA-N	418.444	5.218	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	609384995	CPCRFTAIEFJYGK-AOMKIAJQSA-N	415.990	5.517	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	609389513	VBUCUDSXUFZRRQ-HNAYVOBHSA-N	419.015	6.557	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OC2CCCCC2)cc1	609435065	NPYZCTXFGOMZRM-GOSISDBHSA-N	423.582	6.114	30	20	HKED	
CCCCOc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1OCC	609462419	HBULFAQCPRDNQS-GOSISDBHSA-N	420.431	5.278	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1	609652380	STCMUYRIYPNHHR-GOSISDBHSA-N	402.519	5.570	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cn1	609724870	SWJZAUAEPCFQNU-HNNXBMFYSA-N	408.889	5.272	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(C#N)c1	610728509	ILFFBMQBXYSJHF-NVXWUHKLSA-N	404.539	5.454	30	20	HKED	
N#C[C@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)c1nc2ccccc2n1C(F)F	613405027	ZSUSKINKPGPJSE-QGZVFWFLSA-N	418.447	5.672	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	615519432	LSUMNAWGEVDPDH-UHFFFAOYSA-N	421.447	5.437	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(Cl)cccc4s3)n2)cc1	619756526	SBRFHHLXLDVVAU-OAHLLOKOSA-N	419.918	6.040	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)[C@@H]4C[C@H]4C)cc3)n2)cc1	642281100	JAQPCGKZJGMCQO-CDHQVMDDSA-N	415.518	5.203	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2c1	676998757	CVVJUZRHTQPAFY-KRWDZBQOSA-N	417.465	5.360	30	20	HKED	
Fc1ccc([C@H](NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccccc2)nc1	680336363	GAQRDZLDWWPINB-SUNYJGFJSA-N	420.372	5.809	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1c1ccc(O)cc1	685554803	CZSKSMONFCBWSG-NRFANRHFSA-N	406.555	5.112	30	20	HKED	
C=CCOc1ccc(/C=C(\Cl)c2nc(O)c3cc(Cl)ccc3n2)cc1Cl	727263973	KJEMULINZMKYKZ-DHDCSXOGSA-N	407.684	5.944	30	20	HKED	
CCn1nc(C)c(/C=C/C(=O)c2sc(/C=C/c3c(C)nn(CC)c3C)nc2C)c1C	727975223	VCTWWLHJTRSIDP-DCIPZJNNSA-N	423.586	5.185	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C)n1-c1ccccn1	728031804	CRTACGSQUCQTGX-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1	730061422	UKXKPVFFSFZWEZ-GJZUVCINSA-N	409.533	5.829	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C)[C@@H](c2ccccc2)C(C)C)c1=S	732978971	AKWWQNRBFJYPKI-JOCHJYFZSA-N	422.598	5.562	30	20	HKED	
N#CCOc1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	733328545	SMZMFSOFSVDXGS-UHFFFAOYSA-N	403.429	5.021	30	20	HKED	
COc1cccc(Oc2ccc(NC(=O)Nc3cccc(OCCCC#N)c3)cc2)c1	733626804	VNOPGAMXSNGBSY-UHFFFAOYSA-N	417.465	5.814	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1	733775514	YHUIOIXSJCRRGT-FQEVSTJZSA-N	404.441	5.229	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	735592699	CTZDBXJWIVWBPW-CRAIPNDOSA-N	408.910	5.596	30	20	HKED	
C=CCCCN(C)Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O	736584701	SLFHSVULYBGJPX-UHFFFAOYSA-N	402.325	5.226	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cccc(-c2ccncc2)c1	741461794	CHZZLFQEBNWGLR-UHFFFAOYSA-N	407.399	5.547	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc(Br)c1O	741473943	VGVUSBVGBDFCMQ-SREVYHEPSA-N	424.294	5.512	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1	744028584	KJWUJRDLTXPFHV-SFHVURJKSA-N	408.379	5.041	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CC(=O)c3cccc(F)c3)n2)cc1	744031357	LIOOOWBFOKKNME-DNVCBOLYSA-N	406.482	5.343	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](CCC#N)c3ccccc3)cccc2c1=O	749165417	RSYFMIXZUAQPOL-HSZRJFAPSA-N	422.484	5.543	30	20	HKED	
C/C(=C\c1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	756508164	JTXJNSLJGKBJAL-YBHKSSGVSA-N	420.868	5.406	30	20	HKED	
COC1CCC(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1	759218262	WQCYXWLCPQPQKV-LDZOIKDWSA-N	423.365	5.888	30	20	HKED	
N#C[C@@H](C(=O)COC/C=C\c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	763481580	ULCFLWHDLBJQLE-OUOZUETKSA-N	416.424	5.221	30	20	HKED	
CC(C)CCN(CCC#N)Cn1nc(-c2cccs2)n(Cc2ccco2)c1=S	764969226	GIXLRRIYLWXBKL-UHFFFAOYSA-N	415.588	5.003	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1	771115084	NYOVUPITUHXSAF-OZXSUGGESA-N	409.489	5.005	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1	772048795	ZMZLLKQEXCKASR-UHFFFAOYSA-N	407.514	5.266	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	773316123	JMUVCUYRZMBOJU-DYVFJYSZSA-N	407.461	5.159	30	20	HKED	
C#CC[C@@H](NCc1nc(O)c2c(-c3ccc(C)cc3)c(C)sc2n1)c1ccccc1	775398691	KUIBPMAUIHDBNL-HXUWFJFHSA-N	413.546	5.535	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCCc3ccc(F)cc3)n2)cc1	778613194	BGEREBNEEFUMRH-OAQYLSRUSA-N	417.509	5.800	30	20	HKED	
CCN(CC)[C@@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)c1cccc(C(F)(F)F)c1	780179463	ZFQYOTXLEYJRSF-MGPUTAFESA-N	419.447	5.018	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1	780673078	NLAWJINEJAMSCB-DOTOQJQBSA-N	420.538	5.601	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C[C@H](C)c2nccs2)c1=S	784040360	WLSZVSRECKCALB-AWEZNQCLSA-N	420.007	5.070	30	20	HKED	
CC(C)(C)OC(=O)NCc1cc(NCc2ccc(C#N)s2)cc(C(F)(F)F)c1	785547020	HVPYROBWLLFBNI-UHFFFAOYSA-N	411.449	5.275	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccccc1C1CC1)c1nc(-c2ccccc2)cs1	786056373	NXZATVJDAFFMDD-HXUWFJFHSA-N	404.560	5.797	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	793124225	KFLKLKKEKPBYGU-QZTJIDSGSA-N	406.894	5.400	30	20	HKED	
Cc1cc2ccc(Cl)cc2nc1NN=Cc1c(C)nn(-c2ccccn2)c1Cl	794926766	FPZXHNBEZNMWQD-UHFFFAOYSA-N	411.296	5.185	30	20	HKED	
COc1cc(/C=C2\SC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OCC#N	799204837	JOLQPPZTJYIBHN-MOSHPQCFSA-N	424.547	5.127	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccccc1	799379062	AWMLZSZSFODMTO-CTNGQTDRSA-N	415.578	5.030	30	20	HKED	
Cc1cc(Cl)nc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	800002749	BMFZHXNLSGOREZ-INIZCTEOSA-N	404.901	5.143	30	20	HKED	
Cc1cc(Cl)nc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	800002750	BMFZHXNLSGOREZ-MRXNPFEDSA-N	404.901	5.143	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(F)c(C(F)(F)F)cc2F)cc1	804276249	LGDHVSWXJWYYTN-UHFFFAOYSA-N	422.275	5.060	30	20	HKED	
N#CCc1ccccc1CC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809125183	ILLRVGHYWFRIPO-QGZVFWFLSA-N	401.306	5.161	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccccc1	817320152	YTTRXKRCEHPDIU-LOSJGSFVSA-N	424.500	5.306	30	20	HKED	
CC(C)Oc1ccccc1C=NOCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	852284326	KHFHZAWNEHEHHL-UHFFFAOYSA-N	414.811	5.135	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)Cc1sc(C)nc1-c1ccc(C)cc1	896671549	DTEUZGRXOAHFKB-UHFFFAOYSA-N	412.898	5.109	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2CC=C(c3ccc(F)cc3)CC2)c1=S	915203146	VDQZKYHLMFRDQQ-UHFFFAOYSA-N	420.557	5.077	30	20	HKED	
COc1ccc2c(c1)CC/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	916153281	KQRNKTOAHWKLEU-QGOAFFKASA-N	417.892	5.813	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc(C)c3)sc2C)cc1	916896203	AGKVTVKWQXBGKA-HXUWFJFHSA-N	404.491	5.002	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140471	CRMGUHOCSKUQJP-KDOFPFPSSA-N	421.909	5.287	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SC(F)F)cc3)n2)cc1	920142570	LGIZHQZEIDTKGE-MRXNPFEDSA-N	416.474	5.623	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2ccccc2OC2CCCC2)cc1	920368166	HOPNUIBKNPYWBV-UHFFFAOYSA-N	412.946	5.427	30	20	HKED	
CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C#N)CC1	1831574732	XELXFWPWNZOMDT-NRFANRHFSA-N	417.638	5.152	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831793675	IAPCLTSNRGRBJB-GOTSBHOMSA-N	414.634	5.345	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCC(=O)N(C(C)C)C(C)C	16405469	GTFQXGSNMFVLPI-WYMLVPIESA-N	409.526	5.006	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1	21930388	LTEMSPIXSSZGNV-UHFFFAOYSA-N	423.534	5.173	30	20	HKED	
CCCN(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161481	MPAKAGWMFFCBOY-UHFFFAOYSA-N	413.521	5.776	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc(OC)c1OC	65353714	SQYZASUDONTZLI-UHFFFAOYSA-N	410.558	6.001	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1	430603125	MUPZKAINEJSLAD-NDEPHWFRSA-N	412.580	5.136	30	20	HKED	
CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1)c1ccccc1	430605492	RHSBXIIXAJJNEQ-IBGZPJMESA-N	417.534	5.207	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)nc1	431851190	MHQGYOSNXRZRMP-KRWDZBQOSA-N	419.506	5.286	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCc2c([nH]c3c(F)cccc23)C1	439503708	SDTUEDIRHKHIGN-OAHLLOKOSA-N	422.529	5.539	30	20	HKED	
C[C@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	439611862	ONSGIWMTQPJQCR-KRWDZBQOSA-N	419.912	5.368	30	20	HKED	
Cc1cc(CCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(C)s1	439789307	KWGRPKJORYZWMT-UHFFFAOYSA-N	405.523	5.694	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C)c3ccc(C#N)cc3)cc12	439942631	LRXMHQUOBOQABZ-UHFFFAOYSA-N	406.898	5.197	30	20	HKED	
FC(F)(F)C[C@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccc(C(F)(F)F)cc1	440637142	LLXKHMTYPHMCQU-NSHDSACASA-N	405.264	5.231	30	20	HKED	
Cc1cccc([C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)c2ccccn2)c1	444324470	XTKOKPUTFPNPJE-RUZDIDTESA-N	408.505	5.168	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)CCCc2cc(C)sc2C)c1C#N	445565232	TWADHKWCVWJFNS-UHFFFAOYSA-N	410.568	5.106	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1Cl	463379021	YFWAHXIASMKZAI-WIYYLYMNSA-N	424.978	6.026	30	20	HKED	
CCc1c(C)sc(NC(=O)c2sc3ccccc3c2Br)c1C#N	463700758	YQFOYSJXFBMKKX-UHFFFAOYSA-N	405.342	5.720	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)cc1	464924410	UOCCOIVCHDFTQM-UHFFFAOYSA-N	420.519	5.292	30	20	HKED	
N#Cc1ccc(SCc2nc(O)c3c(-c4ccccc4)csc3n2)c(Cl)c1	465387074	FNRCQPQOKJIGQJ-UHFFFAOYSA-N	409.923	5.881	30	20	HKED	
C=CCn1c(SCC(=O)c2cc(C)c(F)cc2Cl)nnc1-c1ccoc1C	471212431	LOLFSDOVZIUCJD-UHFFFAOYSA-N	405.882	5.108	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NCc1nnc(-c2ccc(C#N)cc2)o1	471639703	PTZIDCDIHJHFTI-UHFFFAOYSA-N	404.539	5.954	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3nnc(-c4ccccc4Cl)o3)c2)cc1	471665047	CCYRGOCBPFIHGB-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)cn1	474964439	FGDNJYKABYQOKZ-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C	476823776	HKBOIVRLVKLDPA-OAHLLOKOSA-N	405.564	5.103	30	20	HKED	
C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1	477638109	LNKYMWJWGFBMTP-RTWAWAEBSA-N	417.553	5.077	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OC4CCC4)c(F)c3)cc2)nc1	480158314	INFMURDAXLYXQT-UHFFFAOYSA-N	403.413	5.068	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCCc2ccccc2Br)c1	480520652	FHQZKNCHJPXUAC-UHFFFAOYSA-N	401.304	5.093	30	20	HKED	
N#Cc1ccc(OC2CCN(Cc3nc(-c4c(F)cccc4F)cs3)CC2)cc1	480789387	UQIQEYGJIVHEDK-UHFFFAOYSA-N	411.477	5.003	30	20	HKED	
Cc1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)s1	481505417	DSAWRUPIQOOEGG-UHFFFAOYSA-N	411.914	5.045	30	20	HKED	
Cc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1NC(=O)NC(C)(C)C	487367763	CKVXNXQSSWCOFR-HXUWFJFHSA-N	406.530	5.080	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2nc(C(F)F)sc2c1	490684256	MADYIQBMZHQHOA-RDJZCZTQSA-N	412.465	5.538	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	492162136	UZXJJIRETVBQLX-ZDUSSCGKSA-N	414.252	5.130	30	20	HKED	
COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	497501573	QBVAVISIVDMBES-QGZVFWFLSA-N	401.466	5.112	30	20	HKED	
CCN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1	497617409	DCRSNRXJQMJJQL-OAQYLSRUSA-N	411.549	5.189	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cccc(OCCCC#N)c1	498777457	BSUGSRYUIWKGBB-UHFFFAOYSA-N	417.943	5.768	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F	501177659	FEAHYPWRYJORAC-KRWDZBQOSA-N	422.495	5.202	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)cc1	503959175	AHOXHLBHGQWWFH-UHFFFAOYSA-N	404.473	5.103	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)cc(N(C)C)c1	506046437	XHSAMSGKBKJUBF-UHFFFAOYSA-N	401.348	5.619	30	20	HKED	
C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](CC(F)(F)F)C1	508955620	ILPOGGYULIUUFI-QGZVFWFLSA-N	422.495	5.254	30	20	HKED	
COc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	510007658	ZERMVCOZWLTYSY-OAQYLSRUSA-N	405.885	5.326	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1	510093957	NWMOTGJHNZHSBZ-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1C[C@@H]1c1cccc(F)c1F	511706491	ZHLGWFUFKQFAIE-DVOMOZLQSA-N	421.312	5.090	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)nnc1C1CC1	512781397	QUYDMIPFQPBLQA-NSHDSACASA-N	421.353	6.157	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](C[C@H]3CCOC3)c3ccccc3)c2)c1	513526269	NTGKBDIJZHONOY-SHQCIBLASA-N	412.533	5.395	30	20	HKED	
N#Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c1	514567913	LJVIJKRCBKHGLU-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
C=CCc1cc(C(=O)N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)cc(OC)c1OC	515408542	WMIWJHVZJQDVFF-UHFFFAOYSA-N	416.521	5.152	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	519874743	ZJDFFUYFGZCAJI-UHFFFAOYSA-N	407.926	5.092	30	20	HKED	
C=CCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1	520194850	HWZREBDIORYSAY-IBGZPJMESA-N	424.508	5.110	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)n1	521494920	DQBSYIGNLWBBBJ-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccccn1	521748613	XUCPSXRXMJMJJD-HTAPYJJXSA-N	402.523	5.244	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCc1ccc(C#N)cc1	523000188	FUTICONVERCRBZ-AWEZNQCLSA-N	410.930	5.204	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)ccc1F	524461012	DSHUCWIAZFBYKI-UHFFFAOYSA-N	416.387	5.169	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1Cl	536406574	YBPXVQJZLWEODE-HSZRJFAPSA-N	410.901	5.037	30	20	HKED	
C[C@@H](N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)Nc1ccccc1C#N	537218682	FKNURXQCLRSGCB-CWTRNNRKSA-N	421.850	5.298	30	20	HKED	
Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)c(OCC(F)(F)F)c1	538832818	NWQYRFFOTYHUKP-UHFFFAOYSA-N	414.431	5.325	30	20	HKED	
N#Cc1cc(/C=C(\CC(=O)O)c2nc3cc(Br)ccc3s2)ccc1F	538857810	KLRIRVZYXCJKHD-VZUCSPMQSA-N	417.259	5.085	30	20	HKED	
C[C@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1	542017592	VCPNGGDNQZCBOU-NRFANRHFSA-N	423.560	5.702	30	20	HKED	
Cc1ccc(F)cc1C(=O)C(=O)N(C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	544037206	YZYYRVSCPURKBN-MRXNPFEDSA-N	421.312	5.098	30	20	HKED	
CC(C)Cc1ccc([C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	548899068	WIQVFLBIPWDHSY-XMMPIXPASA-N	418.585	5.244	30	20	HKED	
Cc1sc(C2(N[C@H](C)c3ccc(C#N)cc3F)CCC2)nc1-c1ccccc1F	551313483	MXLIMNNINUYTGX-CQSZACIVSA-N	409.505	5.998	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	560907848	FXCQOZITYJMDIY-QFIPXVFZSA-N	422.960	5.157	30	20	HKED	
CO[C@@H](c1cccc(Cl)c1)c1noc(-c2cn(CCCC#N)c3ccccc23)n1	568443089	QYKIODBGCIPJKU-FQEVSTJZSA-N	406.873	5.384	30	20	HKED	
CCc1ccc(-c2noc([C@H](C)NCc3ccc(C#N)cc3C(F)(F)F)n2)cc1	574948633	KSZGZHGQEMTYLF-ZDUSSCGKSA-N	400.404	5.040	30	20	HKED	
N#CCCC[C@H](NC(=O)Cc1ccc(Br)c(Cl)c1)c1ccccc1	590476468	DKZAIPZSOTYQHR-SFHVURJKSA-N	405.723	5.196	30	20	HKED	
Cc1ccc(C)c(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1	603818624	UWDRGJUUQVKOQM-UHFFFAOYSA-N	403.507	5.050	30	20	HKED	
CN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCCC1	604164725	VGKUGNFGSFKODF-OAQYLSRUSA-N	423.944	5.115	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1	608974002	PLOCPTBCQPBXHV-KRWDZBQOSA-N	420.246	5.269	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c1C#N	609032361	DQHDWEVLKCETKM-UHFFFAOYSA-N	421.497	5.443	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C)c2ccccc2C1	609047225	VHGIPVHGJTTWJU-UHFFFAOYSA-N	412.493	5.143	30	20	HKED	
COc1ccc(CCN(Cc2ccccc2)C(=O)c2cc3ccccc3n2CC#N)cc1	609171143	AYDYMEATRLYDNA-UHFFFAOYSA-N	423.516	5.059	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1N1CCCC1	609398787	RVJLMNNBNBNVNC-GOSISDBHSA-N	408.571	5.202	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccccc2Br)c1	609433183	DUCGUWWITBCFLI-UHFFFAOYSA-N	407.311	5.190	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCO[C@@H](c4ccccc4)C3)cc2)c1	609433805	KKEKXTPVKBJIMN-XMMPIXPASA-N	413.477	5.346	30	20	HKED	
Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1	609435332	HFVYCEFVQQGHMI-SFHVURJKSA-N	424.570	5.109	30	20	HKED	
CSCC[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	609928343	ZOVLMHWUDWYZCI-AWEZNQCLSA-N	403.935	5.609	30	20	HKED	
C[C@H](N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1	612574858	MDXKTZCSFOWUKW-GTNSWQLSSA-N	415.228	5.804	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	613392571	VCXOKVJCMVCGTN-KRWDZBQOSA-N	419.506	5.871	30	20	HKED	
CN(c1ccccc1)c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	613403862	KILUQTZKLZNWNF-SFHVURJKSA-N	416.431	5.689	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2ccc(F)cc2s1	642158709	UNBXCBYVZHJUBE-IAZYJMLFSA-N	413.358	5.680	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc(-c2ccc(Cl)cc2)cs1	642281120	JZXCZCHVRKQFEN-KRWDZBQOSA-N	421.909	5.228	30	20	HKED	
Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1C(F)(F)F	675532961	FKQHUDQDDLJUPY-UWVGGRQHSA-N	422.291	5.608	30	20	HKED	
O=C(Nc1cc(F)cc(Cl)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	675696364	ZSRFZYVBUOMYOP-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
FC(F)(F)c1ccc2oc(CN3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)nc2c1	675891437	KHHAZRKHEGPCDI-RKDXNWHRSA-N	406.248	5.019	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2\COc3c(Br)cc(Cl)cc3C2=O)cc1	728697631	UJXHFQWZEDYWMH-HOVAHTAHSA-N	418.674	5.052	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCc2ccc(C#N)cc2F)cc1	729846143	SLUJHNXTUIWHHR-UHFFFAOYSA-N	421.497	5.065	30	20	HKED	
CCOc1cccc2cc(C(C)=NNc3cc(CC)nc(-c4ccccn4)n3)oc12	730463683	LIVDXPYQZKEZRZ-UHFFFAOYSA-N	401.470	5.082	30	20	HKED	
CC(C)Cc1nc(C#N)c(NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)o1	731153533	QLSXWRLRKBVSFJ-UHFFFAOYSA-N	424.936	5.463	30	20	HKED	
C=CC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)CC1	732181543	YFYQPZMNKFSXKO-UHFFFAOYSA-N	409.913	5.525	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)c1	733775534	ZFYIMDGHFNIVKO-IBGZPJMESA-N	408.498	5.474	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C/c2ccnc3ccccc23)cc1	735438457	ZYDJZPZZQLZKON-NTUHNPAUSA-N	421.456	5.559	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(C#N)cc1	739990718	NJRSTVLKVXIIAR-QHCPKHFHSA-N	413.502	5.085	30	20	HKED	
O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	741447254	KBOFZEQZAOKUDM-MDWZMJQESA-N	408.441	5.318	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1ccc2c(c1)COC2	742438064	ZHQIIAQKPQFYSZ-KTKRTIGZSA-N	423.310	5.178	30	20	HKED	
COc1sc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc1Br	746519272	AYMVSAJBQROCIG-WAYWQWQTSA-N	400.297	5.477	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)Cc3csc(-c4cccnc4)n3)cc2)cc1	748682917	GPWDKRZPLDCOKI-UHFFFAOYSA-N	413.458	5.017	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)C1CCCCC1	750818835	FERGOVQITUZXFO-UHFFFAOYSA-N	401.963	5.249	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)cc1	761854459	WNBIVOOKQIXUQG-ATVHPVEESA-N	423.822	5.232	30	20	HKED	
CC(C)(C#N)CCCCSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1	767033545	SPIZPETYPJCMBW-PGMHBOJBSA-N	421.541	6.023	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12	769544153	PTWPOJGERAQAHO-INIZCTEOSA-N	423.900	5.091	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3ccc(C(C)C)cc32)ccc1OC	772987120	SMESHCSOOFAOTP-UNMCSNQZSA-N	408.542	5.503	30	20	HKED	
Cc1nc(Br)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	773712224	POPMZQBUIJFFAT-UHFFFAOYSA-N	424.323	5.428	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccncc1	774217507	GPEQFBWFYKATNL-RBUKOAKNSA-N	423.866	5.822	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H](c3ccc(F)cc3)CC2)c1=S	777971562	ZALADYILUIRZHA-GOSISDBHSA-N	423.561	5.028	30	20	HKED	
CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Oc1ccccc1C#N	778181256	JLGINXAYTXPETL-UHFFFAOYSA-N	414.461	5.017	30	20	HKED	
CC(C)(C(=O)Nc1ccc(CC#N)cc1)[C@H](O)c1ccc(OCc2ccccc2)cc1	778544692	IYJKPYXETMZESP-XMMPIXPASA-N	414.505	5.030	30	20	HKED	
Cc1nn(C)c(Cl)c1CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	779596077	RQFWYGKCNKETMV-UHFFFAOYSA-N	401.297	5.098	30	20	HKED	
Cc1ccc(C(C)C)c(OCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1	780315149	ODLBJIOKPIRGJN-QGZVFWFLSA-N	411.452	5.509	30	20	HKED	
C[C@H](NC(=O)CCCCNC(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1	782563622	LBRHLYUKNHMTBX-SFHVURJKSA-N	421.541	5.097	30	20	HKED	
CC(C)(C#N)CCCOC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	783134344	ZUZHWEBESPZEOJ-UHFFFAOYSA-N	404.466	5.101	30	20	HKED	
N#C[C@@H](C(=O)CC(Cc1ccccc1)Cc1ccccc1)c1cnc2ccccc2n1	792109174	GUGHWCGZPXCRGN-HSZRJFAPSA-N	405.501	5.298	30	20	HKED	
Cc1cccc(-c2nnc([C@H](C)OC(=O)c3sc4ccc(C#N)cc4c3C)o2)c1	796623770	DWZZLPFBTKIUOK-AWEZNQCLSA-N	403.463	5.358	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	805164191	KOBRXORAADIOCH-DEOSSOPVSA-N	422.484	5.781	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Cc3cncc4ccccc34)n2)cc1	805856215	WFZPJNOYRVFRBY-JTSKRJEESA-N	411.530	5.722	30	20	HKED	
O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ncsc1C(F)(F)F	809326380	JPUMVLCHEFLNEP-VIFPVBQESA-N	423.256	5.641	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1	914515161	LWTQZBRJXAVDKC-UHFFFAOYSA-N	417.465	5.345	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1	914516679	AIZLOELBCVYKOM-UHFFFAOYSA-N	421.541	5.133	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ncnc3sc(C)c(C)c23)cc1	914772355	YRFBXHSUXMNGRL-UHFFFAOYSA-N	410.547	5.018	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1	916955541	ROXWHKYKDPRJPP-QRWLVFNGSA-N	404.441	5.560	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(-n2cccn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916975177	AVRMUGYOKFVFLE-IBGZPJMESA-N	418.909	5.068	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917045615	YTJRJNDZQLDMLD-LBPRGKRZSA-N	424.831	5.532	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1	918035724	JBTFVWDSBRMQGY-VWLOTQADSA-N	410.521	5.086	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	918322730	KRBJNHHVJIKNIX-ILBGXUMGSA-N	409.489	5.256	30	20	HKED	
CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	919825580	NPNOWGLGENCPIU-UHFFFAOYSA-N	401.422	5.171	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1	1831376968	XWPPLDIUSPJAMC-PGRDOPGGSA-N	416.993	5.094	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)CCCCC)CC1	1831448250	NBFNCQJEYSHBHO-ICSRJNTNSA-N	412.565	5.034	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c1	5641797	WENYTHDDUJUVHZ-QFIPXVFZSA-N	401.535	5.659	30	20	HKED	
O/C(=N\c1nnc(SCc2ccccc2)s1)c1sccc1-c1ccccc1	21953736	WVTAIPZXGPGSNZ-UHFFFAOYSA-N	409.561	6.195	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2Cl)cc1	22730417	MBWAKJHSUVRZQK-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cc(F)ccc2F)cc1	56102430	RVSHFQWIWRQWHW-UHFFFAOYSA-N	406.432	5.181	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)Nc1cccc(OCCCC#N)c1	58535345	JZZSGFMPADCDPN-UHFFFAOYSA-N	421.566	5.966	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1	60043676	GDOZFPRGGSWVHJ-QFIPXVFZSA-N	410.498	5.976	30	20	HKED	
C=CCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)Cc1cccc(C#N)c1	63300734	RAQBNLCVOUFLFT-UHFFFAOYSA-N	408.716	5.145	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)c1	63938031	DPPVXUGFBRUYTA-UHFFFAOYSA-N	411.505	5.184	30	20	HKED	
Cc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n(C2CCCCC2)c1C	71798083	MTFQDENIALNYFD-LJQANCHMSA-N	410.587	5.433	30	20	HKED	
COc1ccc(CN[C@H](c2ccc(F)cc2)c2cccs2)cc1OCCCC#N	147128336	NAUNFHQCJXLRRL-HSZRJFAPSA-N	410.514	5.458	30	20	HKED	
COc1ccc([C@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccccc2OC)cc1	301764193	FRLAJDIIYQCSLG-FQEVSTJZSA-N	413.399	5.191	30	20	HKED	
C=CCOc1ccc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc1OC	302109446	QRVRYULFVGXAIS-VKAVYKQESA-N	409.507	5.665	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc(Br)ccc1F	303062239	MCMBYKRWXCINDA-UHFFFAOYSA-N	418.335	5.249	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCCC2)n1	303698321	NLXTXNMBUZMKLY-UHFFFAOYSA-N	418.522	5.707	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1cc(Br)ccc1Br	429256392	KROBVVBWRSYOEG-UHFFFAOYSA-N	417.145	5.005	30	20	HKED	
Cc1cc(C)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(Br)c1	433265927	PCSRORLYNPYFRG-GOSISDBHSA-N	400.320	5.623	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H](c2ccc(F)cc2)O1	438079840	YJORLKGRCGIFHM-QINHECLXSA-N	413.518	5.214	30	20	HKED	
CCCc1c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cnn1-c1cccc(C#N)c1	440073744	QQALAEDTRQYCFP-UHFFFAOYSA-N	417.900	5.012	30	20	HKED	
C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1c1ccc(C(F)(F)F)cc1	441255141	GLFCQZJMWIDFOB-VLIAUNLRSA-N	412.415	5.210	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cc(NC(C)=O)ccc1F)c1ccc(C(F)(F)F)cc1	442196357	SCCLQKJBZGLPGZ-GOSISDBHSA-N	423.410	5.632	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H](C)c1cccc(O)c1	460542089	IEMZSMWRZYIKQA-KRWDZBQOSA-N	424.570	5.058	30	20	HKED	
COc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1	461721752	FRHVZHRSSMYGJD-MHECFPHRSA-N	423.516	5.100	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)cc1	464421497	MGGMUPHWXNEXED-HXUWFJFHSA-N	424.378	5.585	30	20	HKED	
N#C[C@@H](C(=O)c1cccn1-c1c(Cl)cccc1Cl)c1cnc2ccccc2n1	467234560	CZGHZVMUZPHCAY-CYBMUJFWSA-N	407.260	5.217	30	20	HKED	
CC(C)=CCN(Cc1ccc(Cl)cc1)Cc1cn(CCC#N)nc1-c1ccncc1	467556190	XLSMIIWVJOXMQR-UHFFFAOYSA-N	419.960	5.481	30	20	HKED	
CN(C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1	469302153	PUTNMRLLGZHFBF-HNNXBMFYSA-N	408.317	5.684	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3cccnc3-c3ccc(Cl)s3)on2)c1	469823603	ZXQPANPJWIBTIP-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1	471247829	XSDAUJFRWRWFRE-UHFFFAOYSA-N	405.542	5.169	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)cc1	471249178	INQFUERHAZIPQX-JOCHJYFZSA-N	417.553	5.139	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1	475560956	WNZOKINCGWLRPO-UHFFFAOYSA-N	407.489	5.697	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1Br	476083881	JSIUVEZPPFTVAE-HNNXBMFYSA-N	402.332	5.707	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1	476119870	JOQGWBRIWIRVIJ-UHFFFAOYSA-N	418.537	5.904	30	20	HKED	
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	480307237	NRNZWDJMUXMFTI-ZEQRLZLVSA-N	421.541	5.047	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1	480546557	AQBVQNAYVDRUFE-INIZCTEOSA-N	413.974	6.003	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(F)c(F)c1	480604940	GIJSJPDNSDFARJ-HXUWFJFHSA-N	411.408	5.249	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	481565613	CNESJNRJPKTPAA-MRXNPFEDSA-N	419.456	5.168	30	20	HKED	
C=C(C)[C@H](NCc1nnc(-c2ccc(OCCCC)cc2)o1)c1ccc(F)c(F)c1	481586536	LRPZAMQHFKDWTJ-QFIPXVFZSA-N	413.468	5.601	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4cnc(C5CC5)o4)cc3)c2)cc1	482550435	MTPCJXJWFPQUAP-UHFFFAOYSA-N	421.456	6.135	30	20	HKED	
Cc1ccccc1-n1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1	483250442	CMHYKCUHJGQKPD-OAHLLOKOSA-N	420.444	5.073	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1	485512578	GVXTXYQZVSYZDG-UHFFFAOYSA-N	409.536	5.299	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	488389238	RPJOVAOEGOJGNX-NRFANRHFSA-N	423.944	5.392	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3occc3COc3cccc(C#N)c3)C2)cc1	489996736	YGBLBRNWOFBNKR-GCJKJVERSA-N	400.478	5.057	30	20	HKED	
C/C(=C/c1ccccc1)CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	494568650	YZTHAOAYJIBBBA-RGEXLXHISA-N	424.504	5.378	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	497521283	SDTDLFZBUWIKLC-HXUWFJFHSA-N	420.900	5.321	30	20	HKED	
CCCCCOc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OC	503122476	PQYLUTXEDRZFLJ-ROUUACIJSA-N	409.530	5.257	30	20	HKED	
CCCN(Cc1cccc(OCCCC#N)c1)Cc1nc(O)c2ccc(Cl)cc2n1	506071548	NYPLUAOIQMZUAN-UHFFFAOYSA-N	424.932	5.084	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3cccnc3)c2)cc1	509905774	RTRXYUQPRASLQX-XMMPIXPASA-N	412.493	5.096	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1cccc2ncccc12	510187262	SDZQTAIRAGGOJZ-INIZCTEOSA-N	410.502	5.288	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCSc3ccccc32)cc1	510346936	PBCCBEVYKBEITK-FQEVSTJZSA-N	401.491	5.709	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1OC	511138533	ZQWQIVKHZNOXKJ-UHFFFAOYSA-N	412.898	5.600	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4cccc(Cl)c4)n3)n2)cc1	511358935	IVCPHYSNCCHOOR-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(CC(C)C)c1C1CC1	512788923	SVOIPMCUOKYZDG-UHFFFAOYSA-N	414.509	5.641	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc2ccccc2n1C(F)F	515539916	BDBBTPUOFQGUST-INIZCTEOSA-N	419.456	5.749	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1oc2ccc(CCC(C)=O)cc2c1C	515672954	MZRCXRQWCFLZBP-UHFFFAOYSA-N	405.494	5.100	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1	518143412	JVIFYQNARJECKF-KRWDZBQOSA-N	421.566	5.709	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1F	518256352	BZANIJSUBBCSPB-UHFFFAOYSA-N	405.429	5.210	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	520316555	VCPHDRAOZVUCMJ-UHFFFAOYSA-N	419.550	5.271	30	20	HKED	
CCN(Cc1coc(-c2ccc(Br)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	520386168	RAZLHPMQAHWURD-HNNXBMFYSA-N	410.315	5.559	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3N3CCCCCC3)cc2)nc1	521936094	SOUZWNCUVKLVQC-UHFFFAOYSA-N	412.493	5.378	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)CCCCOc4cccc(C#N)c4)CC3)c[nH]c2c1	523578379	KFIFHSIOBNKIRZ-UHFFFAOYSA-N	413.521	5.213	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534152303	KBBADUWUNVJVHL-FQEVSTJZSA-N	405.885	5.622	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	537900211	NMZJYBOCHFUYOG-SFHVURJKSA-N	416.546	6.399	30	20	HKED	
Cc1cc(C)cc(-n2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2C)c1	538580016	JBJZWFXQUSPJIA-KRWDZBQOSA-N	419.435	5.032	30	20	HKED	
N#CC1(CCCNc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CCOCC1	539709864	BVMUWOBOHJCIMQ-UHFFFAOYSA-N	423.410	5.544	30	20	HKED	
C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1-c1ccc(Cl)cc1	540413391	DWOITWBBPOVKTR-INIZCTEOSA-N	414.896	5.779	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	543994461	ODVBTQRUWGYHPX-RCDCFZSISA-N	418.921	5.447	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12	553084877	CIHFRNYJJMNHOF-UHFFFAOYSA-N	410.901	5.069	30	20	HKED	
CCN(C(=O)c1ncc(C#N)cc1C)[C@H](c1cccnc1)c1csc2ccccc12	556080863	KTNKABFYKOKQLK-HSZRJFAPSA-N	412.518	5.123	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)c(Br)c(Cl)c1	560550011	SOAJFYDBXSIUMT-WMLDXEAASA-N	421.697	5.154	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1ccccc1Cl	564384767	XSOOXWGGAPYURA-NRFANRHFSA-N	408.933	5.176	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccco3)cc2)ccn1	579412931	DFJUHTOXTYPPPB-HSZRJFAPSA-N	410.433	5.250	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1	589727206	NKNHGZBYQKCAQY-IBGZPJMESA-N	407.297	5.164	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1	603601139	RILNPQZTQCVZFL-UHFFFAOYSA-N	413.355	5.205	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)s1	604027726	SVVHWAGREWHRFW-UHFFFAOYSA-N	406.935	5.521	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccs3)cc2Cl)cc1	604088093	BDTHFGGXLFYHTI-LJQANCHMSA-N	423.925	6.434	30	20	HKED	
Cc1ccccc1C[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	604175560	IYXAAFZFNYWABO-IBGZPJMESA-N	400.547	5.520	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CN(C)C(C)C)CC1	604365112	SLUSZRQATQJGPP-UHFFFAOYSA-N	420.557	5.243	30	20	HKED	
CCN(Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1)C(C)C	604566956	BEYHJNLBMMLHAY-UHFFFAOYSA-N	414.509	5.228	30	20	HKED	
C[C@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	607805323	WDFUGBOTSUAMEP-GARJFASQSA-N	421.303	5.398	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C	608919773	KWFWWKGHNOFADR-IBGZPJMESA-N	403.448	5.506	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc4ccccc4n3CC#N)cc2)cs1	609162431	NAPHLYZWKXIICJ-HNNXBMFYSA-N	400.507	5.088	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(-c3cccc(Cl)c3)o2)n1	609296086	XGLZZXXBSSRWSL-UHFFFAOYSA-N	410.808	5.276	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1	609375322	HCIWKJOIDIMTLE-MRXNPFEDSA-N	422.579	5.157	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CC1	609377183	RUXPPWFVECOSPU-AWEZNQCLSA-N	415.356	5.371	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc21	609502556	ITAGABORAHLFMY-UHFFFAOYSA-N	410.477	5.728	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)c1	609504429	SPPBCHJPAJXOQN-UHFFFAOYSA-N	419.912	5.389	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	609505444	JCEMWGCTIGONAE-VHDGCEQUSA-N	405.350	6.130	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)nn1	609881846	QTYWKZLLPBCHIE-MRXNPFEDSA-N	403.511	5.175	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Cl	610346319	TVQNBONQPRZECF-HXOBKFHXSA-N	403.913	5.551	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	669729489	VKHOUYYPXMAPDZ-WDEREUQCSA-N	416.337	5.352	30	20	HKED	
N#C[C@@H](C(=O)c1ncccc1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1	680451607	IGSMAAIYJCMYPH-VIFPVBQESA-N	415.318	5.219	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	684769018	UXDYTFSADWKOCH-INIZCTEOSA-N	422.271	5.995	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OCc3cccc(C)c3)cc2)cs1	727654089	HLAVGQRYLXAFQR-JLHYYAGUSA-N	420.534	5.299	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1C#N	727790665	PFIKYXNBXQGEND-OAQYLSRUSA-N	416.502	5.197	30	20	HKED	
CN1CCCc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21	731658725	PDVRZWIEWCPSGA-UHFFFAOYSA-N	413.546	5.485	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1	732064341	IGRYODPBVJHLBA-UHFFFAOYSA-N	424.570	5.068	30	20	HKED	
C[C@@H]1CCC[C@@H](OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	733052114	GCDFKAOSKRKBMJ-XNRPHZJLSA-N	423.365	5.888	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Cl)s1	733204707	VSVHEMRSULZMGT-UHFFFAOYSA-N	411.840	5.499	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1	733798393	UMHYETCKWPHADT-ZCYQVOJMSA-N	413.521	5.146	30	20	HKED	
O=[S@@](Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1)C1CCCCC1	734980161	XMHKBOAIOHFMJV-SANMLTNESA-N	410.366	6.031	30	20	HKED	
C=CCCCN(C)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12	736525382	GFUVSYSVJQMNIB-UHFFFAOYSA-N	410.315	5.098	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1	737025920	SLEBCTAUAUDPOC-UHFFFAOYSA-N	409.530	5.274	30	20	HKED	
COCCCOc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	741901319	HAZMVZYZQBRRGO-XMMPIXPASA-N	400.478	5.010	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1F	742963244	QZMVGTPUWLMKOZ-UHFFFAOYSA-N	406.804	5.043	30	20	HKED	
O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CCOc2c(Br)cccc21	743055441	CYMALXJYNNWHBR-NTCAYCPXSA-N	423.266	5.080	30	20	HKED	
Oc1ccc(Br)cc1C=Nc1ccc(OCc2ccccn2)c(Cl)c1	743538000	FZKXXABHYQXZSP-UHFFFAOYSA-N	417.690	5.533	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1	744031405	WBMWUCGKYLFGRN-IYNGYCSASA-N	422.337	5.108	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(C3CCCC3)nc2C)cc1	744032287	CRJYDWCYIKGPEP-KUHUBIRLSA-N	409.555	5.584	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-c1ccccc1	744061561	MGSMLEKZQXYYRX-IBGZPJMESA-N	408.486	5.177	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1cccc(C#N)c1	744101535	JLMMSYDMHUABJB-LBPRGKRZSA-N	414.248	5.365	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(-c2ccccc2)ns1	747204706	KILYODSCNIRGMT-ZDUSSCGKSA-N	416.289	5.078	30	20	HKED	
O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(C(F)(F)F)cn1	750217169	LVZNRTLJHTYOLV-LBPRGKRZSA-N	417.227	5.580	30	20	HKED	
COc1cc(C(=O)/C=C/c2cnc(-c3ccncc3)s2)ccc1SC(F)F	753141232	DZPRUKIVJCEVDM-ONEGZZNKSA-N	404.463	5.425	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)nc2)cs1	759084228	UIOUEAHYNXJXTM-VMPITWQZSA-N	418.305	5.426	30	20	HKED	
C#CCOc1cccc(NC(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)c1	759498298	QAZKUWFGCBIJDC-KRWDZBQOSA-N	405.523	5.355	30	20	HKED	
CCOc1ccc(C(=O)/C=C/c2csc(-c3cccc(OC)c3)n2)cc1[N+](=O)[O-]	765615488	GRFXMYMYQMYNJE-CMDGGOBGSA-N	410.451	5.022	30	20	HKED	
Fc1ccc(NC(=S)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c(F)c1	766521578	FMZUJDFUERVSTJ-UHFFFAOYSA-N	412.330	5.436	30	20	HKED	
N#CCCCn1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccccc21	768032747	YDCATYVSNKNJRJ-UHFFFAOYSA-N	413.477	5.086	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3c[nH]nc3-c3cccnc3)cc2Cl)c1	779595279	GXNVTMKKPSBHOU-UHFFFAOYSA-N	415.884	5.188	30	20	HKED	
Cn1c([C@H](C#N)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)nc2ccccc21	781443819	DXCGTELEKALVJE-CYBMUJFWSA-N	417.818	5.154	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)n2)c(Cl)c1	782673501	RUNAWTDEOCGJMN-KRWDZBQOSA-N	412.280	5.030	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782779483	ZSLFLIDKTDUWPK-RTBURBONSA-N	411.505	5.594	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1	783341462	RTMJMKYQPPEHFR-OAQYLSRUSA-N	400.478	5.253	30	20	HKED	
CC(C)(C)OC(=O)N(CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1	797567800	LZRXWQFMQCXUTR-INIZCTEOSA-N	413.543	5.059	30	20	HKED	
CCCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F	799339379	NFUAETVAANKUML-QHCPKHFHSA-N	405.448	5.182	30	20	HKED	
CCN(Cc1ccccc1)c1ccc(CN2CCC(C#N)(c3ccccn3)CC2)cc1	800528400	NDOATRUSYGHSFN-UHFFFAOYSA-N	410.565	5.165	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(Cl)c(C)cc2Br)c1	804381276	MCMXZSNYQXBRIL-CQSZACIVSA-N	421.722	5.022	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(F)c(Br)c1	813153797	WFRVXEDTOAIKLZ-QWHCGFSZSA-N	405.267	5.011	30	20	HKED	
N#Cc1cc(C(=O)Nc2cccc(Cl)c2SC(F)F)cnc1C(F)(F)F	815230399	NTCGPQFDVKFXTD-UHFFFAOYSA-N	407.751	5.192	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)OCc1csc(COc2ccc(Cl)cc2)n1	818644952	BOCARLCDEQKLCQ-BJMVGYQFSA-N	410.882	5.004	30	20	HKED	
Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cc(-c2ccco2)nc2ccccc12	821635758	PNOOAOYOAZHPOA-UHFFFAOYSA-N	419.444	5.113	30	20	HKED	
CCN(CC)Cc1csc(NC(=O)c2ccccc2Sc2ccccc2C#N)n1	833690723	WKOVGHCBVGAYAM-UHFFFAOYSA-N	422.579	5.260	30	20	HKED	
Cc1cccc2sc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c(Cl)c12	875312081	PNAORVHHUIXMKV-UHFFFAOYSA-N	419.289	5.184	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	877694646	OYEGSZHFYUYMNB-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc2ccccc2[nH]1	915352291	GSCMVWXBNULKOC-URXFXBBRSA-N	423.520	5.737	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1[C@@H](C)c1ccccc1	916884810	HEWGDFSPZXMLHP-KSFYIVLOSA-N	419.912	5.329	30	20	HKED	
Cc1[nH]c2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cccc2c1C	916976931	XOLSRWKFSLTEBQ-SFHVURJKSA-N	405.910	6.052	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1cc2cc(Br)ccc2o1	917142354	ARGGGKNPVUBQEU-SOFGYWHQSA-N	405.251	5.548	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(F)cc4)CCOCC3)n2)cc1	920110496	MMMXFYGGQZAKFA-HXUWFJFHSA-N	420.509	5.182	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccnc3SC(F)(F)F)cn2)c1	920279444	JBIRISATTRUUPC-UHFFFAOYSA-N	416.384	5.005	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4cccc(Cl)c43)cc2)CCC1	1791141175	KAPUXDUFURHKER-LJQANCHMSA-N	408.929	5.080	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)CC2)C1	1830421626	NENSULCHAZRKQW-QHCPKHFHSA-N	414.634	5.179	30	20	HKED	
C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1OC	7884271	PSPGYZZBZRQCDI-XMMPIXPASA-N	400.478	5.027	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccccc2CC)cc1	10173617	XAKHAKZSTPVNLR-UHFFFAOYSA-O	423.627	5.828	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccccc1F	11169269	VXJZQLZBORRFKP-UHFFFAOYSA-O	413.925	5.380	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(C)c(C)c2)o1	22255446	RNWUALGWIVFGRG-MRXNPFEDSA-N	413.568	5.110	30	20	HKED	
C=CCN(C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2ccccc2)cs1	22612717	WWXUXJXXHMFTJK-OAQYLSRUSA-N	420.534	5.201	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccccc2CC)c1	22732260	HKMMPRGOQNUTDN-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1	30110818	GTNAWMKUKQVPNJ-UHFFFAOYSA-N	423.310	5.421	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccccn2)cc1	56720303	FQSRPZWCUOQGFM-DEOSSOPVSA-N	412.493	5.096	30	20	HKED	
CN(CCN(C)C1CCCCC1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	63771610	ZYYYEMWVKPFMFM-UHFFFAOYSA-N	421.610	5.187	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2c(F)cccc2F)cs1	64714153	VRUKBMOXHXOTOJ-LLVKDONJSA-N	419.796	5.140	30	20	HKED	
CC(C)N(C)CC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	64738846	KTOPZJVZTBKEHC-UHFFFAOYSA-N	421.610	5.043	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1	111183756	MZQOTTPONBARRO-UHFFFAOYSA-N	419.550	5.695	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1	253489247	DPBJCHQDHKTKFJ-MRVPVSSYSA-N	415.733	5.045	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)o1	303427219	ZWVYKOBYXUYMQE-UWVAXJGDSA-N	423.582	5.258	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl	303429925	FMJXQCMNYBRCKX-IRXDYDNUSA-N	405.281	5.220	30	20	HKED	
CC(C)(C)Oc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	303882090	JLPTYORNHKXPSV-UHFFFAOYSA-N	416.546	6.280	30	20	HKED	
N#Cc1cccc(C2(C(=O)N3CCC(F)(c4ccccc4C(F)(F)F)CC3)CC2)c1	410104363	BWUSWMGMPSTGIT-UHFFFAOYSA-N	416.418	5.096	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(-c2ccccn2)noc1C	429054060	HMPZTXSHUXNSRL-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
CCCCn1ccnc1-c1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	433265190	HKMLICFFENEWPD-QHCPKHFHSA-N	415.541	5.907	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1	434058680	VDMSOWRUBLYQKT-UHFFFAOYSA-N	415.497	5.176	30	20	HKED	
CC(C)(C)c1ccc([C@H]2CCCN2Cc2cn(CCC#N)nc2-c2ccncc2)cc1	435132211	VWYIPDQWSXEQDC-XMMPIXPASA-N	413.569	5.493	30	20	HKED	
O=C(NCc1cccc(F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	435857176	RJPUFSZBEQOADC-HNNXBMFYSA-N	408.317	5.337	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C	437798121	JBKMLXJRIGLFSZ-UHFFFAOYSA-N	401.514	5.113	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	438159505	SRRDRDLCPIWCPH-GGAORHGYSA-N	413.525	5.435	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnc(Oc2ccccc2)c1	438494828	OPSFUIDQUTXDPP-UHFFFAOYSA-N	404.426	5.002	30	20	HKED	
CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)c1cccc(C(F)(F)F)c1	441285256	LLDSUHWLCAQCDX-AWEZNQCLSA-N	400.404	5.210	30	20	HKED	
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccc(C#N)cc1	464808550	XDBFBRMSBKFGKH-JTQLQIEISA-N	414.239	5.027	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC(=O)Nc1ccccc1-c1ccccc1	464810219	DTWAIZVHWHLLKO-RSXGOPAZSA-N	409.533	5.454	30	20	HKED	
CN(C)c1nc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2o1	465526135	YVHBVSCJXYWMIB-UHFFFAOYSA-N	414.490	5.169	30	20	HKED	
C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)c(Cl)c1	471879183	ZNVJNEXGCVDAFB-AWEZNQCLSA-N	403.309	5.039	30	20	HKED	
COCCC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCCC1	473680462	VJOWUEZOUSHELQ-UHFFFAOYSA-N	407.514	5.377	30	20	HKED	
C[C@H](NC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1ccc(-c2cccc(C#N)c2)cc1	474005042	KKTGKSPRXLNICO-UZTOHYMASA-N	423.516	5.127	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@]1(CO)CC(C)C	474502845	PEVZDTQZGXVMSA-XMMPIXPASA-N	407.514	5.064	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C[C@@H](CC#N)c3ccccc3)c2)cc1	474902314	YIBKHIPEJBUBHO-HSZRJFAPSA-N	409.489	5.358	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2OCC(F)F)c1	474992212	VNJJIOHHONSSCX-UHFFFAOYSA-N	408.404	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCC1CCN(c2ccncc2)CC1	475543848	AAMVGHRBEUPJKI-UHFFFAOYSA-N	420.601	5.704	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1	475579943	WQYTVQYNUQRZLJ-DEOSSOPVSA-N	421.585	5.506	30	20	HKED	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cc(C#N)ccc1C	476770058	XZHDSMGOXHONIT-UHFFFAOYSA-N	409.877	5.014	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1N1CCCCC1	477538856	FMJQCIAFYUUIDV-GOSISDBHSA-N	408.571	5.393	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1Br	479936526	AJKXFSMCARCDBY-AWEZNQCLSA-N	419.344	5.169	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccc(F)c(F)c1	480574202	DHOBIQDMFOBKNX-ACSYHNTCSA-N	420.525	5.451	30	20	HKED	
C=C(C)[C@H](N[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1	481621085	CUCHJBQXCPGYAK-XCLFUZPHSA-N	403.860	5.560	30	20	HKED	
CCc1c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cnn1C(CC)CC	482707175	MIHXBKVACXPJRF-UHFFFAOYSA-N	416.525	5.510	30	20	HKED	
N#Cc1ccc(-c2nnc(CNC3(c4cc(C(F)(F)F)ccc4Cl)CC3)o2)cc1	484999505	YGBGBBZKPVXRAA-UHFFFAOYSA-N	418.806	5.059	30	20	HKED	
O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)NC12CCC(C(F)(F)F)(CC1)CC2	488628101	MLFWUZYGSRASGI-IUDNXUCKSA-N	412.349	5.384	30	20	HKED	
C=CCn1cccc1C(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1	490063966	SQISDBPOQBKONC-IBGZPJMESA-N	401.510	5.036	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nnc(-c3cc4ccccc4o3)o2)c1	492025321	TWYMUXDNMPHKFQ-UHFFFAOYSA-N	412.268	5.409	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	492909624	WVIQLOYITNZTCD-UHFFFAOYSA-N	412.795	5.037	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NCc3cccs3)s2)c(C(F)(F)F)c1	496341507	HMLBTLSWIIDIFM-UHFFFAOYSA-N	422.457	5.008	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	497371443	WVYHNZPHWKIDRB-UHFFFAOYSA-N	403.891	5.021	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1	504120864	ODFYPKNXXAKFAJ-XUTJKUGGSA-N	400.954	5.151	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc(Cl)c1Cl	505321726	XWXKQOORVIJDED-LJQANCHMSA-N	424.287	5.240	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)nc2ccc(Br)cc12	509130453	XJNGYJCCHUJELA-UHFFFAOYSA-N	420.310	5.006	30	20	HKED	
Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(-c2cccs2)n1	509898121	HOPJIRSICOIGTF-CQSZACIVSA-N	424.938	5.416	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(OC)c1	510657050	IWDMRZZDNGMBEX-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21	511894656	HXCFKXQPYQHDJT-LPOZWGFCSA-N	419.594	5.145	30	20	HKED	
CCCCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nc(C)c1C	514365777	VEJWLQUWCBXWEC-HXUWFJFHSA-N	412.603	5.344	30	20	HKED	
N#CCCC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1	515527725	OFIMAXAXXKUWDU-NRFANRHFSA-N	409.873	6.033	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	517456507	RTCPBAZUVVZPKQ-UONOGXRCSA-N	408.445	5.363	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	517457211	IJVAJCHDAAWUGA-HNNXBMFYSA-N	407.564	5.546	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1F	518005032	GWFAIAMVXVBGDV-UHFFFAOYSA-N	405.429	5.210	30	20	HKED	
C[C@H]1CCCN(CCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	518057266	ISOVXOIUEJOMJB-FQEVSTJZSA-N	421.610	5.092	30	20	HKED	
COc1ccc([C@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)cc1	518910535	HCWVPXZGSBMVBT-QFIPXVFZSA-N	412.489	5.183	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12	519423772	CZKPOURWQSLNCA-MRXNPFEDSA-N	400.503	6.019	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1	519905034	PMUANPMFJYQFTH-UHFFFAOYSA-N	416.481	5.094	30	20	HKED	
C=CCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1	520194851	HWZREBDIORYSAY-LJQANCHMSA-N	424.508	5.110	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1cccnc1	520197715	MNCOWONUAWLSIW-VGOFRKELSA-N	402.523	5.387	30	20	HKED	
Cc1nnc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)o1	520322901	KEFVMLVBELLLFX-UHFFFAOYSA-N	410.433	5.156	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cn4ccsc4n3)cc2Cl)cc1	520480091	PUKYAWIAZGDKNX-UHFFFAOYSA-N	423.885	5.035	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCSc1ccc(Cl)cc1	521262683	OWMDRDIAQRTEBE-CQSZACIVSA-N	405.976	5.506	30	20	HKED	
Cc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c3c2CCC3)cc1	521731058	WEQZZVQSJTYZFZ-QGZVFWFLSA-N	416.550	5.174	30	20	HKED	
CCCOc1nc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc2ccccc12	524470060	KBMPXVMLSOXKJT-SFHVURJKSA-N	414.490	5.032	30	20	HKED	
Cc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C	532486476	YMGIACNMPMHVJW-VGOFRKELSA-N	407.583	5.331	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(C(F)(F)F)cc1	534260475	GSKWIDMKVVNAPE-XJKSGUPXSA-N	409.456	5.015	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](c2cccnc2)C2CC2)cc1OCC	536163315	OQXLLAUGXJAILF-HXUWFJFHSA-N	417.347	5.049	30	20	HKED	
COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	540492477	SXQVODHNCORDIC-UHFFFAOYSA-N	420.490	5.342	30	20	HKED	
N#CCc1ccnc(NCc2ccc(OCc3ccccc3)c(Br)c2)c1	545927809	DDOMGJJUIVKNRO-UHFFFAOYSA-N	408.299	5.101	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cnc1C(F)(F)F	550468606	MGNXHYQEWOLEIW-UHFFFAOYSA-N	424.407	5.501	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	554759908	HBVHXFWRNMVFCC-VQTJNVASSA-N	424.545	5.532	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](CCCC#N)c1ccccc1	559860823	ZMWXEMXLXZUQHI-OXQOHEQNSA-N	414.347	5.191	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4cccnc4)nc3)c2)cc1	560045825	VVVYCXZNUHCEPP-UHFFFAOYSA-N	407.433	5.136	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)Cc2ccsc2)cc1	561550459	NWORUCJNVUYQLH-OAHLLOKOSA-N	407.495	5.173	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCCc1nc2ccccc2s1	566874275	XNWZQOXOFCQJPL-UHFFFAOYSA-N	411.530	5.724	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	568353688	QKYDVNNAUPRZIJ-LJQANCHMSA-N	412.470	5.240	30	20	HKED	
CCN(CC)C(=O)c1ccc(CNc2c(C#N)cnc3c(Cl)cc(C)cc23)cc1	578085177	MZPXJSVPVGKKIO-UHFFFAOYSA-N	406.917	5.162	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCS[C@@H](c4ccccc4)C3)cc2)ccn1	589363305	OCIMJOSIZKHNNK-JOCHJYFZSA-N	416.506	5.068	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)c2C#N)C1	602754430	DSOSPBMONKTEAJ-ZDUSSCGKSA-N	410.470	5.308	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603623153	FSBYGTKDKRVUBJ-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C(\CC(=O)O)c3nc4ccccc4o3)c2)c1	603748493	XOZZQRLWPBXFCE-UDWIEESQSA-N	410.429	5.294	30	20	HKED	
CC(C)c1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2	603818500	OCBRNHKCISFOAT-UHFFFAOYSA-N	417.534	5.556	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603829399	WRDMNEKOCHHKHE-HNNXBMFYSA-N	406.873	5.624	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)[nH]c12	605363475	BVGDJZCDUDOISI-KRWDZBQOSA-N	403.388	5.432	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1	606760024	KVGWXXHMCNAJMG-UHFFFAOYSA-N	406.404	5.117	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)o2)cc1	609056918	XFHKBBQQMSTXIO-XMMPIXPASA-N	412.489	5.412	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc2ccccc2n1CC#N	609167376	YCEJWVSZHOOJHD-HNNXBMFYSA-N	400.507	5.088	30	20	HKED	
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609381730	RIEPVULHMUZHBF-GFCCVEGCSA-N	412.408	5.256	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C#N)c2ccccc2Br)c1	609593501	XTKNXZBRXZBDJA-KXBFYZLASA-N	415.331	5.029	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCS[C@@H](c4ccccc4)C3)cc2)c1	609810793	COYIJVXLCNDVJF-HSZRJFAPSA-N	415.518	5.673	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(-c4ccncc4)cc3)c2)cc1	610095078	FRMPLCIQKAYKPQ-UHFFFAOYSA-N	420.472	5.734	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)cc1Cl	610106883	JWDZUNJPHUJYTE-DENIHFKCSA-N	406.844	5.077	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1	610341482	VBOQOLNOMFLLGQ-PKOBYXMFSA-N	418.566	5.105	30	20	HKED	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	610404607	DHKAWSSKLGTNMN-AHWVRZQESA-N	413.496	5.139	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC(Cc3ccccc3)C2)cc1Cl	610629253	SCZPRIBWAVPAOZ-QHCPKHFHSA-N	415.924	5.702	30	20	HKED	
CSc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1NC(C)=O	613319147	QUMBMGFHHBSAJF-QGZVFWFLSA-N	421.547	5.289	30	20	HKED	
O=C(CCSc1ccc(F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642158473	VXDIQXRVSFEICZ-QWRGUYRKSA-N	417.390	5.334	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2n1C(F)F	642282466	UPOXKLDAUBKCSQ-AWEZNQCLSA-N	411.408	5.789	30	20	HKED	
O=C(NCc1ccc(Cl)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	681658103	IQYRBCFVXUUYRC-UWVGGRQHSA-N	420.756	5.188	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)cc1Cl	726475930	VCYAIQKRNHBYNL-UHFFFAOYSA-N	404.882	5.685	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(C)c4)CCCC3)n2)cc1	726860195	SSPVHAWQOIINKJ-NRFANRHFSA-N	416.546	5.815	30	20	HKED	
COc1ccccc1/C(C)=C\C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	727307938	XRVFNKUYYWSKNM-ZPHPHTNESA-N	412.489	5.382	30	20	HKED	
CCN(CC)c1ccc(C=Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c(O)c1	727972643	AQNWROVDWUYFCO-UHFFFAOYSA-N	419.500	5.309	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1	728695380	VLYZGXPSDJMUMW-KFRNIWOLSA-N	409.335	5.076	30	20	HKED	
CCn1c(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21	729570368	GUQYJRMJIYHZHF-UHFFFAOYSA-N	411.465	5.042	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](CC)Oc1ccccc1C(C)C	729949212	TUFRLWSRELXZJB-OAQYLSRUSA-N	401.510	5.103	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(CC2CCCCC2)CC1	731399988	JZUJHTJHYDNFPX-SFHVURJKSA-N	414.619	5.247	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1Oc1ccncc1	734706064	NVMARGKENFCTJE-HXUWFJFHSA-N	409.445	5.177	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)ccc1-n1cncn1	742434379	HTACUAMXJNAKPN-OQFOIZHKSA-N	403.429	5.126	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037605	ANRULTZECPBCSX-WBMJQRKESA-N	420.431	5.899	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c2c1	745948056	URSGZYRBNVZUJV-IBGZPJMESA-N	419.937	6.062	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1	747196950	RBDWWRSVTXUNOJ-HRAATJIYSA-N	412.461	5.541	30	20	HKED	
C=CC(=O)Nc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1F	751448966	VJJNPYWCJTZZTR-UHFFFAOYSA-N	417.465	5.225	30	20	HKED	
C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	754907362	YSSWNCJXOAACTP-VIFPVBQESA-N	422.655	5.486	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CCC(F)(F)F)c1	757246748	PBTXNZOBFKWOIT-QGZVFWFLSA-N	405.420	5.184	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	757872742	BRBBOOGXTKCJCY-HXUWFJFHSA-N	413.864	5.397	30	20	HKED	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	758534756	CTMQMZJMVZVQJX-MWTRTKDXSA-N	417.459	5.771	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1	759971947	AOBHCOIPNOBQFT-QGZVFWFLSA-N	420.344	5.395	30	20	HKED	
N#CCSc1ccccc1C(=O)NC(CCc1ccccc1)CCc1ccccc1	762555643	RVTXQBIYYCKQTF-UHFFFAOYSA-N	414.574	5.666	30	20	HKED	
C[C@H](OC(=O)c1ccccc1SCC#N)c1nc2cc(C(F)(F)F)ccc2n1C	764930132	WJZSWUKJFPLCIE-LBPRGKRZSA-N	419.428	5.126	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)c2ccccc21	767681174	LAFFBZKRQRAAJF-UHFFFAOYSA-N	408.452	5.076	30	20	HKED	
C=CCOc1c(Br)cc(CN2CCC[C@H]2c2cc(C)on2)cc1OCC	768427526	CGEAJYWGDLWPJF-SFHVURJKSA-N	421.335	5.046	30	20	HKED	
CCCN(C(=O)c1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)C(C)C	771530858	BNSOVZLERDIDOA-UHFFFAOYSA-N	420.557	5.261	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1	772692871	DFIOYMWTSUWJMD-UHFFFAOYSA-N	423.513	5.301	30	20	HKED	
N#C[C@H](COC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)Cc1cccs1	772730903	AFTFDULIWLAVDB-NJAFHUGGSA-N	408.548	5.333	30	20	HKED	
N#Cc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1	781447058	CACUGYUNUNUOEE-GOSISDBHSA-N	403.894	5.243	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)OC(=O)CC(C)(C)C#N	786424328	WRSZTJAESLFTBE-GFCCVEGCSA-N	407.333	5.425	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)OCc2ccc(C#N)cc2)c2cnn(C(C)C)c2n1	827203440	UIIGRKLSFFTZDB-UHFFFAOYSA-N	410.477	5.216	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3cc(Br)cs3)no2)c2ccccc21	904394707	KAJRSBYHFHYGRN-UHFFFAOYSA-N	413.300	5.486	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(F)cc1	915085148	HECSVMQTJBCBAD-HSZRJFAPSA-N	410.452	5.228	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1=S	915208866	IXLLYUQHTMKBGD-BJLQDIEVSA-N	412.603	5.134	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccc(F)cc2Cl)cc1	916051122	MSMGUULGIUPJSG-FQEVSTJZSA-N	408.860	5.542	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2)c(OC)c1OC	916153583	UMCAXAKERQWUJQ-RVDMUPIBSA-N	404.462	5.188	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	916906059	BKJMYTLWPIIGTP-OAQYLSRUSA-N	423.472	5.090	30	20	HKED	
CC(C)(C)c1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141466	OHZOBSUJOUKZOJ-OAQYLSRUSA-N	413.546	5.788	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3coc(Cl)n3)CCC2)cc1	1789624232	NUFVTLXGLVPNHG-UHFFFAOYSA-N	415.921	5.068	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)[nH]n3)cc2)CCC1	1790128615	SBTRDMUHWGTECH-HXUWFJFHSA-N	420.557	5.049	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2C)CC1	1825783641	LMLJELHZBSUJRE-SFTDATJTSA-N	414.615	5.058	30	20	HKED	
COc1ccc(Cl)cc1-n1c(S[C@@H](C)C#N)nnc1-c1cccc(Cl)c1	4254247	HDBMSMXRYIWRQA-NSHDSACASA-N	405.310	5.254	30	20	HKED	
COc1ccc(/C=C2\N=C(SCCCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1	5983955	PMZPGOGJOPZRKX-QNGOZBTKSA-N	405.523	5.093	30	20	HKED	
CCCCCC(=O)Nc1ccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)cc1	15406202	HKKRYSSQAWTJLP-WCWDXBQESA-N	408.571	5.144	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2)c1	22730568	JOJSPPITOIXHCR-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
Cc1ccc(C(=O)/C(O)=N/c2nnc(SCc3ccc(Cl)cc3)s2)cc1	29847184	LTCJBBSAPKWIAP-UHFFFAOYSA-N	403.916	5.263	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nc2ccccc2o1	41547523	VBGCGDZJCVZYAI-GOSISDBHSA-N	408.413	5.643	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)n2)cc1	46706718	WNKPYCUMVTUXNV-LEWJYISDSA-N	418.518	5.166	30	20	HKED	
C=CCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)Cc1ccccc1F	56312574	LOHJTWJOPJJUCR-UHFFFAOYSA-N	404.445	5.027	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	57304531	RXLUHOPGTKIHJH-FQEVSTJZSA-N	419.356	5.017	30	20	HKED	
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cc(C#N)ccc2C)c1	58287785	DTZCAYHQEHYPBJ-UHFFFAOYSA-N	422.488	5.039	30	20	HKED	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cnn(C(C)C)c2)cc1	58465437	XAXZWGVYPUUYSB-SDNWHVSQSA-N	412.493	5.221	30	20	HKED	
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1	61584838	QXGQZOCLOQRQIP-SILNSSARSA-N	423.516	5.106	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1	63398532	GFIZTUSMNAEUNE-NLFFAJNJSA-N	417.553	5.874	30	20	HKED	
C[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	71922634	JZONOVGXVSQZPV-FQEVSTJZSA-N	413.521	5.474	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2	105049905	BPZGADZVOXUETR-ICFOKQHNSA-N	401.897	5.361	30	20	HKED	
C=CCN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccc(Cl)s1	215900299	DTKBNZZQLIBHOE-UHFFFAOYSA-N	405.976	5.580	30	20	HKED	
Cc1occc1-c1nnc(Sc2snc(Cl)c2C#N)n1Cc1ccccc1	301925791	IWLVMDHXSAICFH-UHFFFAOYSA-N	413.915	5.028	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2ccccc21	303293732	NBHUGZLJEVMSNA-MRXNPFEDSA-N	422.579	5.205	30	20	HKED	
Cc1nc(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)sc1SCC#N	409817885	IIMNKWDRAYVFGJ-VIFPVBQESA-N	400.356	5.191	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1	410371219	FOMUSXDJMDBRBA-UHFFFAOYSA-N	419.546	5.340	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1	425917046	LNTSBFFYMNCCAR-IBGZPJMESA-N	410.480	5.315	30	20	HKED	
CCn1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1-c1ccccc1	427268178	VWEHNTQKGQIGSD-UHFFFAOYSA-N	422.488	5.273	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1	429053105	CISQXPILYQCXPF-UHFFFAOYSA-N	411.461	5.327	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	429671799	BBBVMMFGUVJUOM-UHFFFAOYSA-N	419.447	5.079	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(S[C@H]3CC[C@@H](C#N)C3)n2Cc2ccco2)cc1	430092940	DCZWERNIXHGLKU-UZLBHIALSA-N	406.555	5.668	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)c1	430616945	ITSHKNQIVIJFOS-UHFFFAOYSA-N	419.453	5.697	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccccc1	431318189	GUSZPRWPBLWXKL-BZUAXINKSA-N	418.360	5.101	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	432008861	XFNKCJLMCJJVDH-JOCHJYFZSA-N	420.944	5.571	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1sc2ccc(C#N)cc2c1C	432786554	XRRGXHUNIPSPCX-UHFFFAOYSA-N	417.412	5.311	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc1	434195756	JXUZXYDGZSSIOT-HSZRJFAPSA-N	417.553	5.158	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)CC2)cc1	435989030	JEHNNQOPNCMVJO-UHFFFAOYSA-N	417.472	5.086	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)cc1	436338809	XVLBGQPACAJEBQ-UIOOFZCWSA-N	421.500	5.457	30	20	HKED	
CCC(CC)c1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)on1	438225234	NAVLHBSDGMUECU-UHFFFAOYSA-N	404.470	5.564	30	20	HKED	
CCCc1c(NC(=O)c2cc(Cl)ccc2SCC)cnn1-c1cccc(C#N)c1	440092979	ANVYEAFHPKLPAB-UHFFFAOYSA-N	424.957	5.714	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc(Br)ccc2F)c2ccccc21	443966266	SINFYTMWXFJZNA-UHFFFAOYSA-N	400.251	5.099	30	20	HKED	
Cc1cc(CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)ccc1C#N	447307384	YCGHPHRPIKEMSZ-OAHLLOKOSA-N	411.962	5.016	30	20	HKED	
C=CCCOCCCCC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	464225352	AYILXWDCNXPIPF-SFHVURJKSA-N	402.535	5.206	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nnc(C(C)(C)C)s1	467915450	FQUSHHSDFBHIME-UHFFFAOYSA-N	421.526	5.130	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1	476122494	KJSULPKTXMNZBU-WOJBJXKFSA-N	406.570	5.400	30	20	HKED	
CCCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCCc2cccnc21	481205403	NRRICUKDKPZFNS-GOSISDBHSA-N	402.420	5.294	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(Br)cc1	482525232	CFLDUNCOFGLSCP-AWEZNQCLSA-N	403.345	5.415	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1OCC	483226087	JMWNWBASKBXUEU-MRXNPFEDSA-N	423.900	5.351	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	483494243	WBGTVRDNXQEOEA-AWEZNQCLSA-N	406.392	5.139	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1	487181835	ADCFJLWTZVPINR-KRWDZBQOSA-N	401.491	5.721	30	20	HKED	
CCC[C@H](NC(=O)[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N)c1ccccc1	488760373	DZWLEEUQQOFBPW-BBRMVZONSA-N	407.461	5.110	30	20	HKED	
C=C[C@H]1CCCCN1Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	489475917	KCXMXTBWNAUZKM-SFHVURJKSA-N	403.979	5.638	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1	491203944	UTGLGMBGTRGTSL-SFHVURJKSA-N	421.478	5.244	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	494344603	BWFPCKBPOMHIFM-DAQNXSASSA-N	419.550	5.244	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)cc3Cl)cc(-c3ccccc3)nc21	494637310	NOTBLQYYKKQWEX-UHFFFAOYSA-N	415.884	5.457	30	20	HKED	
CCCc1nc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)nn1-c1ccccc1Cl	499322902	IIZJGEKJSIUWKF-UHFFFAOYSA-N	421.932	5.048	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c2)n1	499331966	XKEULTXIPSRLFZ-UHFFFAOYSA-N	404.539	5.003	30	20	HKED	
COc1cc([C@H](C)NCCCC2(C#N)CCOCC2)ccc1OCc1ccccc1	499597762	AYBVUEKPYSBFJP-FQEVSTJZSA-N	408.542	5.025	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	500333961	VWKKMXHZMKOFDT-NHCUHLMSSA-N	400.444	5.365	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCC(F)(F)C2)cc1	502162066	LBZLYQJAINCRKN-GOSISDBHSA-N	413.468	5.279	30	20	HKED	
N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2	505088335	YBNIWRXHWSJOOB-VLGSPTGOSA-N	415.924	5.799	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449148	KULGCDJTPOBVAM-GFCCVEGCSA-N	406.269	5.502	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)c(OC(F)F)c1	506989192	VIQXSZXKYZPYLC-NVXWUHKLSA-N	405.832	5.245	30	20	HKED	
C=CCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1csc([C@H](C)OCC)n1	508934870	LHXLIPOVWQHTRK-HNNXBMFYSA-N	423.542	5.068	30	20	HKED	
Cc1cc(OC(F)F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	510501407	NVOUDFSICMYPNH-UHFFFAOYSA-N	414.433	5.883	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@H](CC)c2ccc(Cl)s2)cc(OC)c1OC	512589238	UMMIYXWRVVLIFO-OAHLLOKOSA-N	408.951	5.098	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc(C)c1OC(F)F	517426025	HIUNILWATLVXNS-CYBMUJFWSA-N	406.841	5.658	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1	518755819	OCLFSEWPRMLFDV-CYBMUJFWSA-N	408.354	6.052	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	520656592	DHVMZDUIPFYXRF-HNNXBMFYSA-N	420.431	5.186	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1[N+](=O)[O-]	521733839	IHORINODYPBSJF-UHFFFAOYSA-N	409.389	5.180	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	522630451	GQFPSTJMAHTMES-INIZCTEOSA-N	424.035	5.073	30	20	HKED	
C[C@@H](SCc1nc(-c2ccc(Br)s2)no1)c1ccc(C#N)cc1	522840660	XXJRKLPAIZMREI-SNVBAGLBSA-N	406.330	5.427	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)c3cnn(C(C)C)c3n2)c(C)o1	523960699	BOUCCMBWTZOKMA-IZHWHUGBSA-N	419.529	5.091	30	20	HKED	
COc1ccc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)cc1OCCCC#N	532727633	NWEALVGSBRJMAL-UHFFFAOYSA-N	403.482	5.522	30	20	HKED	
C=C[C@H](CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1	533906244	NNPCQJQTEQGLCE-QGZVFWFLSA-N	404.489	5.109	30	20	HKED	
COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)sc1Br	534735466	QFKVUPUUIDDZII-UHFFFAOYSA-N	419.325	5.372	30	20	HKED	
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	537328654	DRDMHJIKCQMFJG-QAPCUYQASA-N	408.370	5.264	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	538043166	CUTGTZGJOKSTAJ-PXNSSMCTSA-N	412.518	5.300	30	20	HKED	
CC(C)C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	540844094	HIJULHYPMAWWLV-RPWUZVMVSA-N	423.532	5.003	30	20	HKED	
Cc1sc2nc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(N)c2c1C	541084811	PMCPHJISSKWGDZ-HNNXBMFYSA-N	413.550	5.280	30	20	HKED	
C=CCOc1c(Br)cc(CN(C)[C@@H](C)c2cccnc2)cc1OCC	541763463	NHGCHODXTNLGBH-HNNXBMFYSA-N	405.336	5.001	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3ccccc3CN3CCCC3)no2)c2ccccc21	546941229	BHUPIUBVSMNMLL-SEYXRHQNSA-N	423.520	5.371	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	547418108	YSDQNTJUJGXYNO-UHFFFAOYSA-N	410.804	5.706	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1	549174226	SVNUXEMLTKMJFH-KRWDZBQOSA-N	404.539	5.167	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1Cl	551398797	XIVWITWVCDPGOJ-MRXNPFEDSA-N	413.820	5.635	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(OC2CCCCC2)CC1	554198332	IZJZAYUPAUOXEU-UHFFFAOYSA-N	404.510	5.304	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C	554232309	HCIWSXVXJTYPEY-UHFFFAOYSA-N	424.928	6.011	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)n1	557907599	XZMJXYRWLNOCHL-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CCC2	558357198	OVOWSQXEFPXMMA-NRFANRHFSA-N	418.522	5.657	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1ccccc1Cl	558456162	QUTOZPFPGSLDIR-IBGZPJMESA-N	424.932	5.143	30	20	HKED	
CC(C)c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C(C)C)c1	567134489	STOHLMGVNCFMFN-UHFFFAOYSA-N	423.532	6.019	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCC(C)(C)CCC#N	574548224	WUAJFBGUMOUCBQ-UHFFFAOYSA-N	421.925	5.161	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc(C[C@@H](CC#N)c2ccccc2)n1	578556366	WFSYJTYSLGOYQN-TZIWHRDSSA-N	409.917	5.521	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)CCC(=O)Nc2ccccc2C#N)cc1	579048232	NUPPSOMNENKJBL-IBGZPJMESA-N	413.521	5.255	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)n2)cc1	589196267	MOBKOIUBZNGDBE-JKSUJKDBSA-N	413.424	5.443	30	20	HKED	
CN(Cc1ccccc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1	604084853	DRTGSYOPJPOUPR-UHFFFAOYSA-N	418.585	5.574	30	20	HKED	
CSc1nc(C)c(CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)n1	609176850	VORTXFSQWSOYEX-UHFFFAOYSA-N	418.522	5.051	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	609643806	QCSLEVQHPKUBSA-UHFFFAOYSA-N	419.484	5.760	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1	609722761	DJBLAAKJAKOQPX-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609988683	HFKWPTWTSGCHII-UHFFFAOYSA-N	404.473	5.925	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1	610007460	GABJVDOTFIIUSL-BEFAXECRSA-N	402.560	6.043	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccc(Cl)s3)o2)c1C#N	610167462	BKEQXRCSUQWPCA-UHFFFAOYSA-N	413.915	5.110	30	20	HKED	
CC(C)n1c([C@@H](C)NC(=O)c2c(Cl)cc(C#N)cc2Cl)nc2ccccc21	611214918	CBPCMCNUDGZWPR-GFCCVEGCSA-N	401.297	5.287	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1	613404055	ZFAPIBQSZYQJLP-QGZVFWFLSA-N	406.898	5.242	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[nH]c(C)c1C(C)=O	615200943	OCYQTZRZOYMFAP-UHFFFAOYSA-N	421.884	5.658	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)c1C(F)F	676226554	XFJUMZOAFVZHRD-UHFFFAOYSA-N	415.284	5.439	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cn(C)c3ccccc23)cs1	726740332	CBSCOUDGMGSHIU-FMIVXFBMSA-N	419.481	5.355	30	20	HKED	
CCOc1ccc(Br)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1	727979941	GJDFMXCGYOGSON-UHFFFAOYSA-N	410.724	5.182	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccnc3ccccc23)c1	731314876	WYMDDAAMVZHFTD-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1	733103639	GZMSAOKGKDQJHS-UHFFFAOYSA-N	411.914	5.127	30	20	HKED	
C=CC[C@H](NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1ccncc1	734509094	HHLIRPSPARLISL-NRFANRHFSA-N	405.523	5.856	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1c(Cl)ccc(Cl)c1Cl	735328929	HBNBEMGOBDFUKQ-UHFFFAOYSA-N	405.064	5.560	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cccc(Cl)c2Cl)c1	735515345	MLSZUDBBTUKRAH-UKRRQHHQSA-N	406.313	5.235	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1c(Cl)nc2ccccn12	736611313	XNDAVQKIWZFWIF-UHFFFAOYSA-N	412.921	5.224	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	737845721	BEKDYHAWWHLGCG-MRXNPFEDSA-N	404.228	5.091	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)NCCc3ccc(Cl)s3)c2)s1	740037550	YLCMBWBYKOBIDF-UHFFFAOYSA-N	401.944	5.044	30	20	HKED	
Cc1ccc(-c2nc(/C=C\C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)cs2)cc1	741852938	VHRWHWISZIAGON-XFXZXTDPSA-N	410.502	5.380	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c1	743111732	YJAJCTASZUCQFE-AWEZNQCLSA-N	424.328	5.305	30	20	HKED	
Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	743147105	PBARPDFCKGNTMN-OALUTQOASA-N	408.571	5.180	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1	743450084	XBGPQVWPZRPLJH-QGUORLBXSA-N	414.436	5.369	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	744026380	XMFCCLBZNPFSFU-XLNAKTSKSA-N	406.791	5.110	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(C3CCCC3)nc2C)cc1	744032289	CRJYDWCYIKGPEP-LIRRHRJNSA-N	409.555	5.584	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2)cs1	744035029	MTKNTRDKMMEQEQ-BZUAXINKSA-N	414.864	5.722	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1	746125547	JJQPKEICLVXMLZ-GMAHTHKFSA-N	423.438	5.174	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)ON=C(C)c1cc2ccccc2o1	749256734	YYXJSAUSTYQZQE-CQSZACIVSA-N	400.862	5.171	30	20	HKED	
C[C@@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	750313966	YCIJOPQUXJSNJK-KSSFIOAISA-N	402.466	5.233	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	752166537	XLWIQAIDCKKBDI-CABCVRRESA-N	421.369	5.820	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1	752636214	JGVBTWGVIHWIAI-QFIPXVFZSA-N	417.459	5.327	30	20	HKED	
C[C@H](Cc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756527221	JEAPADBEBJGVQP-KUHUBIRLSA-N	405.910	5.390	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccncn1	760333948	MUXNDHZOTNJHMQ-MGPUTAFESA-N	414.317	5.493	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1ccc(C(F)(F)F)s1)C(=O)c1ccccc1	761478832	RSDLDLKVFXMQSZ-WJDWOHSUSA-N	402.397	5.067	30	20	HKED	
C=CCn1c(COc2ccccc2)nn(CN2CCC[C@H]2c2cccs2)c1=S	764861543	XZPWLGIUROFHMN-SFHVURJKSA-N	412.584	5.035	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl	766840012	GESNZOKVBXQHGH-FUWURINLSA-N	407.684	5.398	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3ccc(Br)cc32)c1	772982010	CXVLZBCVJQXMRA-FXAWDEMLSA-N	415.331	5.134	30	20	HKED	
CCOc1c(OC)cc(CNc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC	779594399	JKWJPGPHUCKEFW-UHFFFAOYSA-N	418.493	5.165	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cccc(Cl)c4o3)n2)cc1	783070546	CDKJEEJHTKFIRP-HNNXBMFYSA-N	408.866	5.708	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3cc(Br)ccc3[nH]2)cc1	787184611	RFAKUALSKLFDCW-UXYFDLPDSA-N	402.679	5.353	30	20	HKED	
COc1cccc([C@@H](C)CCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1	789408262	MVIIIFXBYDYNLN-JXFKEZNVSA-N	405.523	5.364	30	20	HKED	
CCCCn1ncc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1C(C)C	791646238	QBBXZMJGSBFWPS-UHFFFAOYSA-N	403.530	5.338	30	20	HKED	
N#C[C@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1nccc2ccccc12	792103388	ROWJFGTWMYENHI-OAQYLSRUSA-N	408.505	5.509	30	20	HKED	
C=C(Cl)COc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3OC)nc2)cc1	792885055	NKPYGJIAYUYGQZ-GHXNOFRVSA-N	406.869	5.180	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1ccc2ccccc2n1	796749464	NHOHTHZWLKMPFD-KRWDZBQOSA-N	409.258	5.044	30	20	HKED	
C=CC[C@H](OC(=O)Cc1nnc(O)c2ccccc12)c1ccc(Cl)c(Cl)c1	797552754	JLILXBKOJLQQQI-SFHVURJKSA-N	403.265	5.045	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797569341	AQCVPKBINQJXCA-WCQYABFASA-N	423.351	5.397	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	801678819	MIYCFDKFNNFADW-PWSUYJOCSA-N	414.346	5.459	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C/c2ccc(OC(F)F)c(OCC)c2)C(=O)c2ccccc21	802709040	YYVBHAQCCASFOE-VHUCWBOISA-N	416.420	5.003	30	20	HKED	
COc1ccccc1-c1nnc(SCC2(C#N)CCCC2)n1CCc1ccccc1	806580316	BJOANLZQMADJDI-UHFFFAOYSA-N	418.566	5.372	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Br)c1	813060881	MTPGTVRTNGMYAN-FZMZJTMJSA-N	418.241	5.174	30	20	HKED	
CC(=NNc1ccc(Br)cn1)c1sc(Cc2ccccc2)nc1C	814832280	LBCSSPRUTOAFMD-UHFFFAOYSA-N	401.333	5.036	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1OC	916627419	SUTIIKNLPUJUHR-SFHVURJKSA-N	405.498	5.031	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccccc3)n2)cc1	916912579	BLOVIMGPOXFJBG-OAQYLSRUSA-N	417.534	5.043	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C\c1cc2cnn(C(C)C)c2nc1Cl	917146181	UDGIDRCLSFJSMC-KTKRTIGZSA-N	405.889	5.260	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1	918038125	HOPYCTDUKIRWSY-JOCHJYFZSA-N	405.885	5.348	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3cccc(C(C)C)c3)n2)cc1	920138943	LYNZXOMTILBYOM-KKSFZXQISA-N	420.534	5.586	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2c(F)cccc2F)cs1	920806624	MRMBEMFITAYNKS-QJPTWQEYSA-N	414.399	5.633	30	20	HKED	
COc1cc(C#N)ccc1CN(Cc1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1	1615972167	WTXQTBWVLJQIOJ-UHFFFAOYSA-N	418.884	5.009	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)c3ccccc3)CCC2)cc1	1786679123	GAYBDZCMHDATPZ-LJQANCHMSA-N	422.594	5.234	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1	1789455677	ZZLIPSQVXWASEX-JOCHJYFZSA-N	406.526	5.033	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)CC1	1830017572	ZNVSPXZOTLPQOR-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1	1830424266	YONMYQHJQNPAKU-OFNKIYASSA-N	416.650	5.425	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2Cc2ccccc2)c(C#N)c(C)c1C	7058778	KMQJNJATAFDTGQ-UHFFFAOYSA-N	401.535	5.200	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCc2ccc(C#N)cc2)c2ccccc2)c1	12954313	IFKKNMGRIKVRQK-RUZDIDTESA-N	412.489	5.031	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1	29203013	DZMJYQOPXRUHRV-UHFFFAOYSA-N	413.568	5.115	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccco1	30714850	FGTMAVKFXZEMEA-LJQANCHMSA-N	410.543	5.096	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1	65749651	OFJKSVSAVUXTEV-UHFFFAOYSA-N	404.514	5.189	30	20	HKED	
C=CCn1c(SCc2nnc(C(C)C)o2)nc2sc(-c3ccccc3)cc2c1=O	72086613	QKOTVCPXXRLFGA-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)[nH]c2c1	97547913	QTXLBQZVUIDZIJ-XMMPIXPASA-N	422.488	5.513	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)s1	108396221	AOPZILWNXZYGSE-UHFFFAOYSA-N	407.543	5.120	30	20	HKED	
C=CCn1c(Sc2ccc([N+](=O)[O-])c3cnccc23)nnc1-c1ccc(Cl)cc1	302922785	WUPMJSFOWKAIFP-UHFFFAOYSA-N	423.885	5.392	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccnc(Oc2ccccc2F)c1	426839487	CGSIQALERLOPCW-UHFFFAOYSA-N	409.436	5.050	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)c1	430739986	IHRJNYIGSRYEFK-UHFFFAOYSA-N	411.486	5.895	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	432767174	GSUPRVPKEWFJMZ-RUZDIDTESA-N	424.504	6.216	30	20	HKED	
N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1	433361223	CBNBUKHSBKUEBY-LJQANCHMSA-N	405.885	5.025	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	437808202	XGDQULWXNLLWIH-YJYMSZOUSA-N	403.404	5.201	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C	437931700	KURWVXPZCCEYCD-IHPCNDPISA-N	413.587	5.111	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438666423	QEXYKKPPGWPQJN-IBGZPJMESA-N	421.497	6.092	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1	438853439	DKPGZFNQNDSHFT-UNMCSNQZSA-N	404.901	5.169	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccccc1	439384837	JPQRKXJNBJRJRP-QFIPXVFZSA-N	409.555	5.265	30	20	HKED	
C=CCn1c(SCc2ccc(C#N)cc2OC(F)F)nnc1-c1ccc(F)cc1	439545631	HWDWYQSMHXNLTO-UHFFFAOYSA-N	416.428	5.036	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1cccnc1	443534627	WWCDWMGPUDCWBI-AWEZNQCLSA-N	423.929	5.688	30	20	HKED	
C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cn(CCCC#N)c2ccccc12	444227982	SJIMHQDPECVBHW-HXOBKFHXSA-N	421.928	5.201	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2c(C)noc2C2CC2)cc1	444839678	ZUGAVNVTNZJGJI-UHFFFAOYSA-N	404.426	5.177	30	20	HKED	
C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1	461287653	BTHADRLODDGXND-HNNXBMFYSA-N	405.552	5.185	30	20	HKED	
C[C@H](c1cccc(C#N)c1)c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1	463061388	OOMNXSVYOVMEER-GFCCVEGCSA-N	410.355	5.434	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)Nc2ncccc2OCCCC#N)cc1)c1ccccc1	466600384	NVKWTUMYBNANLS-GOSISDBHSA-N	415.497	5.581	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	467930061	OSSIGLFZKGFWPY-SWLSCSKDSA-N	407.367	5.294	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1	469025424	QUYYINMYGRDCSJ-UHFFFAOYSA-N	402.292	5.083	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccc(C#N)cc1	472851001	OXPAYYOKXPTDED-GFCCVEGCSA-N	407.861	5.022	30	20	HKED	
COCCC1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCC1	473716772	SSLPMCGFAZMIFP-FQEVSTJZSA-N	411.933	5.324	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1	475584672	SYVHFWQMPMTIET-UHFFFAOYSA-N	409.489	5.499	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1	476080469	PGAIDNMHQSYNMO-OAQYLSRUSA-N	419.569	5.730	30	20	HKED	
Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1	476129295	BDYQHTPQKZNMRB-QFIPXVFZSA-N	414.530	5.331	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nc3ccccc3s2)o1	476802892	XINBJIYSTFFSDG-UHFFFAOYSA-N	402.519	6.661	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cncnc2-c2ccccc2)cc1	476926329	COZMPWSGWJQRQR-UHFFFAOYSA-N	422.444	5.068	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1C1CC1	477297330	ILNNMJNKOWMHJQ-HNNXBMFYSA-N	401.470	5.043	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1C1CC1	477556832	ANSBBSJJCAYOOZ-CYBMUJFWSA-N	400.935	5.812	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1cccc(Cl)c1	480377434	OELWPJOCQKPOEU-UHFFFAOYSA-N	416.909	5.045	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1	480589816	WJMJUJUQESITAN-MRXNPFEDSA-N	419.978	5.015	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	482881341	XTBLNYBSYPHGSX-IBGZPJMESA-N	414.505	5.473	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12)c1ccccc1	487596983	TZSVOWJASMWUMM-FUPPJEDESA-N	423.354	5.204	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N	488786320	OVSUXTXGDDVGDA-LBPRGKRZSA-N	407.461	5.216	30	20	HKED	
C=CCn1c(SCc2nc(Cc3ccccc3C)no2)nnc1-c1ccc(C)cc1	489665500	YLQRSBDLEQULSR-UHFFFAOYSA-N	417.538	5.014	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4ccccc4F)nc3)CC2)cc1	490194761	OMKOREHYJACONQ-UHFFFAOYSA-N	414.440	5.206	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)N(CCC#N)CCC(C)C)ccc1Cl)C(C)C	490482098	CDZUFTZWIHLTFO-UHFFFAOYSA-N	406.958	5.004	30	20	HKED	
N#Cc1ccc(Br)c(CSc2nnc(-c3ccccc3Cl)o2)c1	492212563	ZUXMHGQDJMBLIW-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1	497376996	QGFHJMUULQLYEB-UHFFFAOYSA-N	415.946	5.305	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1	505938918	QXVWRRCTNKUFDD-QGZVFWFLSA-N	402.306	5.040	30	20	HKED	
CC(C)(c1ccc(NC(=O)CCOCC(F)(F)C(F)(F)F)cc1)C(F)(F)F	508573184	VLEQYZKNDMIOAD-UHFFFAOYSA-N	407.301	5.069	30	20	HKED	
C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC(OC2CCCC2)CC1	508996284	NMLYEGUMAQCKRP-UHFFFAOYSA-N	416.569	5.136	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1	509582453	GHUSVOOSJPLOJO-UHFFFAOYSA-N	409.917	5.177	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCSc1ccccc1Br	509604907	XAOKFFFTHYFELX-UHFFFAOYSA-N	419.344	5.229	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)C[C@@H](C)C2	509710204	CKFMFIZSMFYNMY-IWBCJCCCSA-N	413.521	5.572	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)c1ccccc1	510966921	JTGGWTOGLWJOCB-XMMPIXPASA-N	401.485	5.583	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1	512512191	RDZRPBWQNLMTCA-ZFWWWQNUSA-N	408.502	5.251	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)CC1	515218505	SKFVHOQUXCYFOS-JOCHJYFZSA-N	422.960	5.233	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc(-c2ccccc2)cs1	515542979	KIIRIFLHEJCWPD-HNNXBMFYSA-N	423.291	5.809	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)Nc3cccc(OCCCC#N)c3)c2)c1	517303032	KYULZIJFHJJCLS-UHFFFAOYSA-N	414.505	5.438	30	20	HKED	
CC[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc2c(c1)OCCO2	517537096	DWBLTNSGBSYOTM-XMMPIXPASA-N	414.505	5.149	30	20	HKED	
CCOc1ccc(C(F)(F)F)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	517781187	LSLTVKOUZHZPSF-UHFFFAOYSA-N	405.420	5.418	30	20	HKED	
C=CC1CCN(C(=O)C/C(=C\c2cccc(OC)c2)c2nc3ccccc3s2)CC1	520326590	AZBOSCKCEKBPHJ-HMMYKYKNSA-N	418.562	5.660	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2c1	520430210	IVJOVKHCOKOJGH-INIZCTEOSA-N	419.456	5.743	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)cc2)cc1	520582488	KUXCCVJKWQBTPE-DEOSSOPVSA-N	409.445	5.855	30	20	HKED	
C[C@H](NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc(C#N)cc1	521572369	ORFIKCOLFCEJRU-OYHNWAKOSA-N	408.473	5.547	30	20	HKED	
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1F	521797798	VDPRSNKSDGZPNW-OAHLLOKOSA-N	424.501	5.150	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)c(F)c1	522133300	LNJIQXBDEWELCF-GFCCVEGCSA-N	422.323	5.304	30	20	HKED	
COCCOc1c(Cl)cccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	523128071	YVFSCBDFNRSWKT-UHFFFAOYSA-N	421.884	5.233	30	20	HKED	
Cc1c(Br)cccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	524026661	HJIMIBHGBXSYFU-UHFFFAOYSA-N	400.320	5.319	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	524963875	ULTUDOHPYSYQIK-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
Cc1ccc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1[N+](=O)[O-]	531445100	YPBWKYPAOOESNT-GOSISDBHSA-N	401.466	5.205	30	20	HKED	
N#CC1(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CCSCC1	534458014	XPMTVRIOOLSSBI-UHFFFAOYSA-N	405.759	5.381	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	536262242	IFBCONRWRXDVSU-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(C#N)c(Cl)c1	536972303	LLCYQNUJJJSLEF-UHFFFAOYSA-N	415.880	5.737	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCO[C@@H](C)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	537348945	GAFSXXRHPLAVBD-PGRDOPGGSA-N	418.562	5.811	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cccc(OCc2cccnc2)c1	539940692	ODRQOSQXSVDNTL-SFHVURJKSA-N	417.534	5.236	30	20	HKED	
Fc1ccc2nc(CN[C@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)oc2c1	542946915	FNDKQGSHEVAZES-OAHLLOKOSA-N	408.273	5.259	30	20	HKED	
COc1cc(-c2noc(CSc3ccc(C#N)cc3)n2)cc(Cl)c1OC(C)C	545524283	VWZLYROERHAFBR-UHFFFAOYSA-N	415.902	5.350	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(CN5CCCC5)cc4)no3)cc2)nc1	546942655	UGXJVDRLHOGOCD-UHFFFAOYSA-N	423.476	5.058	30	20	HKED	
CC(C)C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1	554461397	AXRVMPJZAKYFAY-QFIPXVFZSA-N	409.505	5.038	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CNc2cccc(C(F)F)c2Cl)cc1	554929953	GGPRUKSBCSYJBM-UHFFFAOYSA-N	407.848	5.035	30	20	HKED	
Cc1csc(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1C#N	557509090	QLIKDUNYGJRERQ-UHFFFAOYSA-N	404.426	5.037	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	558504156	LZXOWFXMZILPKI-CQSZACIVSA-N	408.408	5.249	30	20	HKED	
N#C[C@H](C(=O)c1ccc2cncn2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	560230075	SMYHFZBIZZUGCY-OAHLLOKOSA-N	413.289	5.255	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](C)c1ccccc1C(F)(F)F	571452583	XDVZNOGOMWUMLQ-KRWDZBQOSA-N	407.480	5.581	30	20	HKED	
CCN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H](C)c1cc2ccccc2o1	574930798	NZDVHMNQQBARNE-CQSZACIVSA-N	423.538	5.212	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c(Cl)c1	586840314	XLXNNXWHIZCAKG-UHFFFAOYSA-N	422.724	5.572	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)CCCCCC#N	588934359	RNZROPSFIWXTSD-UHFFFAOYSA-N	406.505	6.144	30	20	HKED	
CC(C)Oc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	592360884	UGQHGFANYDNTER-AWEZNQCLSA-N	404.413	5.592	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc2cc(F)ccc2s1	592973228	AXZHLIQPFVCGIE-GFCCVEGCSA-N	413.886	5.702	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1ccc2ccccc2n1	601930999	AFNRRAHZSSWYHA-IBGZPJMESA-N	400.384	5.795	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCC(C)C)cc1	603738786	OGPHOWGXAAMXLM-UHFFFAOYSA-N	401.466	5.341	30	20	HKED	
Cc1ccc(C(=O)C2CCN(c3c(C#N)cnc4c(C)cc(F)cc34)CC2)c(C)c1	607949006	NSTUSNNWBNGFHN-UHFFFAOYSA-N	401.485	5.270	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccccc1Br	609591240	LESGUAAEHQWPBY-CYBMUJFWSA-N	423.694	5.451	30	20	HKED	
C[C@H]1SCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H]1c1ccccc1	609819978	WSTPOEOXLRPFAG-HXOBKFHXSA-N	418.518	5.049	30	20	HKED	
C[C@@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(C#N)c1	610345181	XCNHXPPKUIGVLE-OAHLLOKOSA-N	424.331	5.968	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)N[C@@H](C)c3cccc(C#N)c3)cc2c1	610357273	JSCMKKNYPAEETP-SFHVURJKSA-N	413.477	5.679	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccc(C#N)c1	610364828	VIHAZSGDIJFAAZ-HNNXBMFYSA-N	401.853	5.367	30	20	HKED	
C[C@@H](Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)c1cccc(C#N)c1	611483168	GEWQPGJKSSFEPK-GOSISDBHSA-N	409.489	5.750	30	20	HKED	
CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cn(CCCC#N)c2ccccc12	618200750	SQNBSLBZRUKFPR-PXDATVDWSA-N	415.537	5.185	30	20	HKED	
CC(C)[C@@H](Sc1ccccc1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12	727211555	CNYGDHJTULNPRA-HSZRJFAPSA-N	420.534	5.098	30	20	HKED	
COC1CCN(c2ccc(N=Cc3cc(Cl)ccc3O)cc2C(F)(F)F)CC1	727973176	SZNGVTQBTOQSDG-UHFFFAOYSA-N	412.839	5.430	30	20	HKED	
CC(C)N(C(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(C)C	728062804	ULXKHSQCASDEJZ-QGZVFWFLSA-N	413.949	5.236	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728175443	UPHQMQHZYDQQJF-UHFFFAOYSA-N	401.466	5.067	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c(C)n1-c1ccc(C#N)cc1	729376622	SORKKJAXEOHCGM-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccccn1	730395182	CNZNLPMJEGTKCZ-KKSFZXQISA-N	413.329	6.098	30	20	HKED	
CCc1cccc2c(CC(=O)[C@H](C#N)C(=O)Nc3ccc([C@@H](C)CC)cc3)c[nH]c12	731767842	NDFPHBQILHWCPP-AOMKIAJQSA-N	401.510	5.134	30	20	HKED	
C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	732016493	BADSOELAAQKXQT-MPCDZSKCSA-N	412.489	5.341	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)(C)C)c2ccccc2)ccc1OC	733643061	DREATHABRQSGOO-NHCUHLMSSA-N	423.557	5.353	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccsc1	739156733	PQGDXIVREVYSEC-QMTHXVAHSA-N	407.347	6.158	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1	740435231	MLBVDWYFFYUSOM-DNQXCXABSA-N	413.477	5.154	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cnn1-c1ccc(C#N)cc1	741844459	PFMMQPLUBCUHQN-ZRDIBKRKSA-N	424.416	5.117	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1cccc(F)c1	743093397	TWABPEPUOROJHO-SBUREZEXSA-N	403.457	5.070	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cc1	743148438	PFDYYYKSZGDFRQ-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc(C#N)c1	743777079	OHEATQBFAHCWFO-CQSZACIVSA-N	411.383	5.255	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1	744029303	STTUOBXBCAJVGR-RZXPCSSPSA-N	406.791	5.110	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744029814	WNUPKTLFRYGPEM-BEFAXECRSA-N	424.422	5.700	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	752231422	YIRRSRPPARTDTP-QRWLVFNGSA-N	407.495	5.046	30	20	HKED	
Fc1cc(-c2ccncc2)ccc1C=Nn1cnnc1SCc1ccc(Cl)cc1	752721204	SCLDRLLYVHUUAS-UHFFFAOYSA-N	423.904	5.307	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cccc(OCc3cccc(OC)c3)c2C)c1	755397220	FDOBAXKKXHNMBQ-UHFFFAOYSA-N	402.519	5.373	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cc1	758536147	QBCSYZQQJMGEOQ-ZRBLBEILSA-N	415.493	5.055	30	20	HKED	
COc1cccc2c1C/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	759664063	IHSCBWUUFGNLPO-FOWTUZBSSA-N	403.865	5.423	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c2)cc1	764302788	WOUQKAGRZDEPJP-UHFFFAOYSA-N	418.796	5.036	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1ccc(Br)cc1	764315291	NLLFXCRGDZTURB-SNVBAGLBSA-N	422.666	5.015	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(C(=O)OC(C)(C)C)cc2)S1	764886612	JFVQATGVPYBQCC-AQTBWJFISA-N	408.523	5.150	30	20	HKED	
C=CCn1c(SCC(=O)O[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1	765091149	JHBORQANVWMAEA-HNNXBMFYSA-N	413.930	5.181	30	20	HKED	
N#CCCCn1cc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21	769545752	ZDUFUUALXDEPSQ-UHFFFAOYSA-N	414.383	5.004	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)n1	772677271	MGLKTGLOLMOQJI-SFHVURJKSA-N	413.930	5.396	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Br)s2)ccc1OC	772977577	BDPJAKRXJIRKQN-GXTWGEPZSA-N	409.349	5.051	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(Cl)ccn3)cc2Cl)cc1	775318629	JPERAXLKYMWZNR-UHFFFAOYSA-N	413.264	5.374	30	20	HKED	
C#C[C@H](OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)C1CC1	779233425	BLZNVGMTAOAXSK-PGQLYPBMSA-N	408.382	5.064	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1cc(NC(=O)CC)ccc1Cl	782716529	MHCFZMVLTKGZQN-UHFFFAOYSA-N	401.894	5.230	30	20	HKED	
FC(F)(F)c1nc(Cl)ccc1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	787185704	IVVVIYAYZJXFFX-RKDXNWHRSA-N	414.699	5.317	30	20	HKED	
COc1cc(F)c(C(=O)/C=C\c2cc(Br)c(Cl)s2)cc1OC	790222799	WGKVQEOQBUQGOW-ARJAWSKDSA-N	405.672	5.216	30	20	HKED	
N#CC[C@H](CC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1	795990426	KLDXYULBOFQFKU-YKSBVNFPSA-N	416.452	5.136	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2ccc(N3CCCCC3=O)cc2)ccc1OC	810180020	LJCNXOWAMBTWBF-IBGZPJMESA-N	408.542	5.018	30	20	HKED	
C=CCN(C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)C(C)C	812582942	KJVXNMPMWVASOD-SFHVURJKSA-N	417.550	5.242	30	20	HKED	
Cc1sc(C2(NCc3ccc(O[C@@H](C)C#N)cc3)CCC2)nc1-c1ccccc1F	815166795	VBMXDWKUSFSQMO-INIZCTEOSA-N	421.541	5.718	30	20	HKED	
Cc1cc(C#N)cc(C)c1Cc1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	904478061	PLROYKURYFRWGU-UHFFFAOYSA-N	419.488	5.214	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1	915085041	DMSIMURTBLCGFM-HXUWFJFHSA-N	414.490	5.025	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)cc1Br	915985053	GXTMRMLWFUFIKA-YWEYNIOJSA-N	424.294	5.328	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc(Cl)ccc2o1	916887983	RJFWZTYKMPWBJO-AWEZNQCLSA-N	420.824	5.362	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)s1)C(=O)Nc1ccccc1Oc1ccccc1	916911980	YUCSKAGKKYYJLZ-DPCFLFMUSA-N	422.893	5.555	30	20	HKED	
C=CCn1c(SC[C@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F	916982193	ZWGMFYVKRDRNKQ-KRWDZBQOSA-N	423.435	5.115	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	917713126	GUNCOKMCTCWMMP-UHFFFAOYSA-N	419.506	5.886	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(C(C)C)cc3)n2)cc1	920141896	IPBDDWSUHMJXTM-NRFANRHFSA-N	404.535	5.751	30	20	HKED	
CC(=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cc2ccccc2o1	920399126	KTIFXDJFTJGPOX-UHFFFAOYSA-N	402.237	5.730	30	20	HKED	
Cc1ccc(/C=C\c2cc(C(=O)O[C@@H](C)C#N)c3cc(Br)ccc3n2)o1	920704495	KRMUPUCAZACZAU-VGVVRCBHSA-N	411.255	5.138	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3ccccc13)C2	1792572303	VVLDHCCBOGNETJ-WKCHPHFGSA-N	404.554	5.084	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)CC1	1831508412	BRTWMBMEFLNRBD-YZUZCNPQSA-N	410.602	5.012	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3[nH]2)n(C2CCCCC2)c1C	8457866	HDGPUJUZZHCPQQ-UHFFFAOYSA-N	407.543	5.089	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(C)cc1	10173296	WTUAFKQUJKLNFI-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1	22798022	YXGRMQQOTAQSEX-UHFFFAOYSA-O	409.619	5.500	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc(C#N)cc1	32617982	QQEPRHGSZCAHLS-UHFFFAOYSA-N	415.440	5.281	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C(F)(F)F)cn1	41555781	ITHVLEHJYGDZLD-LJQANCHMSA-N	412.436	5.883	30	20	HKED	
CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC	46706893	LVPKNYNUOJDQON-INIZCTEOSA-N	412.898	5.361	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSc1ccc(F)cc1	49724002	UWNYAOIRDJLRNS-UHFFFAOYSA-N	407.470	5.314	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1	56300226	SRAKDOWUTDDWAE-UHFFFAOYSA-N	419.550	5.072	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1	63640786	WSLSRFZHXIEKNE-IBGZPJMESA-N	413.521	5.375	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CNc3ccccc3Cl)c2)cc1	63647489	CHUBYVJYKAOLSQ-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1)c1ccccc1	64738233	UDSRFUQNRHWQML-GOSISDBHSA-N	401.535	5.603	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc(OC)c1OC	65290775	CFZMASPTZPSPSF-CQSZACIVSA-N	422.447	5.012	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sccc2OC(F)F)cc1Cl	78499144	KJVUALFVRYRWBK-HNNXBMFYSA-N	418.852	5.911	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1	78668306	HIITZYYGGCVPGV-UHFFFAOYSA-N	424.529	5.797	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1	108298345	GAHTYKPCIWLTKF-UHFFFAOYSA-N	417.421	5.322	30	20	HKED	
O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1ccc(OC(F)F)cc1OC(F)F	115281533	TVSODBDIHGWEDD-RMKNXTFCSA-N	420.362	5.030	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OCC(F)(F)F)cc1	195633204	MTIBVHNOOUNYRD-UHFFFAOYSA-N	418.868	5.240	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Br)c(F)c1	195740959	NZZLQDWQBHTVMX-UHFFFAOYSA-N	417.731	5.201	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)c2)c1	302151497	BWYMOLQRFHYUQZ-UHFFFAOYSA-N	401.426	5.031	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(Cl)c3)on2)c1	410421043	TZCQMYBAHAWEQQ-UHFFFAOYSA-N	421.762	5.060	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(NC(=O)c2ccccc2)c1	426146986	BOESTJDNPWGDEC-OAHLLOKOSA-N	418.884	5.347	30	20	HKED	
N#C[C@@H](NC(=O)CCCCC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1	427005993	WVCFUOMULCTQKC-GOSISDBHSA-N	407.272	5.257	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccccc1	431980310	IWLGTYINEQGKHE-QGZVFWFLSA-N	407.848	5.176	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1Cc2ccccc2O[C@@H](C)C1	432770775	UNFYBFIHTPJQEH-SFHVURJKSA-N	413.477	5.474	30	20	HKED	
N#Cc1cccc(C2(C(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)CC2)c1	435056520	MKEIGOXVSBDUCA-RAYWSRASSA-N	404.513	5.003	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1oc2ccccc2c1CSc1cccs1	437488112	CLMUEJULZDESET-YWZLYKJASA-N	413.564	5.498	30	20	HKED	
CCCCOC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1	437832006	DNMGAGLDWVYWPO-UHFFFAOYSA-N	407.514	5.472	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1	439313606	HOQFRDQBAUEMQE-RBUKOAKNSA-N	413.905	5.064	30	20	HKED	
N#Cc1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1C(F)(F)F	443883280	VCSOTWHTALXCIZ-UHFFFAOYSA-N	409.289	5.396	30	20	HKED	
CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	447857714	FLMNQTIRZJAVIZ-UHFFFAOYSA-N	416.437	5.020	30	20	HKED	
CC(C)c1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	448317895	KSJYGCRAIMIQSO-LBPRGKRZSA-N	422.362	6.187	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccs1	461754343	IHCJCHSHNMGXKW-CYBMUJFWSA-N	418.975	5.274	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1	462160324	MAETWMQLJGPFPP-CQSZACIVSA-N	407.392	5.072	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)n(C2CCCC2)c1C	463433525	DHETWEWJEPYZQA-MOPGFXCFSA-N	424.511	5.083	30	20	HKED	
CCc1nc2ccc(Cl)cn2c1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	464190550	OFOIHRAAKWNISZ-HNNXBMFYSA-N	406.898	5.164	30	20	HKED	
CC(C)[C@H](C#N)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	464312736	RHKVSERHBVLYAI-AWEZNQCLSA-N	423.416	5.043	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(F)cc1	464407795	QLJYGRVQKHWDEL-INIZCTEOSA-N	416.378	5.039	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1cc(C(F)(F)F)ccn1	464473907	IIDUPKIBXCWJGR-INIZCTEOSA-N	422.366	5.036	30	20	HKED	
C=CCn1c(SCc2ccc(Br)c(Cl)c2)nnc1-c1ccncc1	468487199	KYQDMEKKFMPPCD-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
C=CCCCCNC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	473710330	NXYWZQKNTWGUIV-UHFFFAOYSA-N	407.301	5.119	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)ccn1	475107792	LRRBCPJZKBRICI-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
N#CC[C@H](CC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1	475534710	WGPNBQNMJAURRL-OAQYLSRUSA-N	412.493	5.034	30	20	HKED	
C=CCOCCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1	475938564	HIYYRTFRZGGCFG-UHFFFAOYSA-N	424.353	5.578	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1	476094146	CRUDWUOZXANPPN-INIZCTEOSA-N	417.475	5.399	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC=C(c4cccc(Cl)c4)CC3)o2)cc1	477340560	HYRXCIGJCPXPFY-UHFFFAOYSA-N	418.880	5.313	30	20	HKED	
COc1ccc(-c2nc(CSCc3ccc(C#N)c(F)c3)cs2)c(OC)c1	479519436	SQLMDKGDRURDBI-UHFFFAOYSA-N	400.500	5.271	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1nc2ccccc2o1	480592089	LOCUIEGZEWIBNM-APWZRJJASA-N	420.538	5.981	30	20	HKED	
C[C@@H](NCC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1	481025108	PWRVZAWNVYXQKW-LJQANCHMSA-N	403.570	5.161	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1	487511385	DLYPOLQYWIFDHM-HXUWFJFHSA-N	403.507	5.165	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c12	487602968	LLSSXPDKDDYWBH-NRFANRHFSA-N	410.477	5.363	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	487840946	LPAHGYULIOWUIX-INIZCTEOSA-N	404.432	5.042	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)c1ccccc1	489671454	FBDVMFFPZIOIQU-JOCHJYFZSA-N	420.553	5.400	30	20	HKED	
Cc1csc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1Br	489727788	KTMCODOJYOMFOZ-JTQLQIEISA-N	404.116	5.121	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3noc4ccccc34)cc2Cl)cc1	491053231	SWYGCLPGHAXNLG-UHFFFAOYSA-N	403.825	5.326	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1	497476438	ZARPALSQAPRVDC-DEOSSOPVSA-N	417.553	5.544	30	20	HKED	
CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	499117316	KVNWAPDAPOZLTQ-OAHLLOKOSA-N	406.473	5.420	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	501188490	QAGXJIMGHSMPNF-UHFFFAOYSA-N	420.881	5.551	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)n1	501329090	NJSBFIGUVMLBFF-SFHVURJKSA-N	420.925	5.301	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@](C)(C#N)CC(C)C)cc1	503172767	DKAMXYGTOPMHHO-VWLOTQADSA-N	403.526	5.221	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc2ccccc2n1C(F)F	503441904	ZIOHYYFOUFVWKS-INIZCTEOSA-N	404.376	5.109	30	20	HKED	
N#CCCCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	505069609	YXPVTOMFPQAYIH-UHFFFAOYSA-N	423.416	5.188	30	20	HKED	
N#C[C@@H](C(=O)c1c2c(nc3ccccc13)CCC2)c1nc2cc(Cl)ccc2s1	505438714	CDHLXCLRGJBZDK-HNNXBMFYSA-N	403.894	5.477	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505817942	LMVSWJZGBGALPO-JQWIXIFHSA-N	416.337	5.352	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cc1	509907503	GSELLFRPYJKXPV-HXUWFJFHSA-N	403.526	5.202	30	20	HKED	
CC[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)s1	513010808	KVUOFEKXMNYDLW-OLZOCXBDSA-N	421.975	5.002	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2c(C)noc2n1	514490076	KIFVRIKIFLRXHU-CYBMUJFWSA-N	408.527	5.176	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1C(F)(F)F	515794959	OGXLXUZNWFSPNT-UHFFFAOYSA-N	413.237	5.688	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(C)ccc4nc3C)n2)cc1	516270382	VTOSFIQNGVPIIM-FQEVSTJZSA-N	413.502	5.474	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc3cccnc23)cc1	519880849	XHWGBLOZWAPEKJ-UHFFFAOYSA-N	409.514	5.329	30	20	HKED	
COc1ccc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1F	521734887	RUNNNEJYPVPKBG-CQSZACIVSA-N	404.532	5.100	30	20	HKED	
C=CCc1cc(CNC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cc(OC)c1OC	523309000	MDOQZYYTMRWQFU-IERDGZPVSA-N	424.541	5.023	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1	524641376	JDKGFSQEZCYNMZ-LJQANCHMSA-N	400.453	5.194	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2ccccc2)n1	533777727	HZZQWEZKCITBLF-UHFFFAOYSA-N	407.539	5.025	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1csc([C@@H]2CCCO2)n1	534421439	PHMQTWZYHANTGA-NRFANRHFSA-N	421.497	5.161	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3COC(C)(C)C)n2)cc1	538046092	RXOFDSDUTMLNQN-FQEVSTJZSA-N	420.534	5.624	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](COCc2ccccc2)C1	538659451	HKSRAPHZLOGVKQ-NRFANRHFSA-N	412.489	5.029	30	20	HKED	
CCN(C(=O)CSCc1cc(-c2cccs2)on1)c1ccc(C#N)c(Cl)c1	540273565	PEPZVSAICBPKBK-UHFFFAOYSA-N	417.943	5.214	30	20	HKED	
Cc1ccc(SC2CCCC2)c(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)c1	540696051	JIKVENUPDQDGNT-UHFFFAOYSA-N	416.550	5.222	30	20	HKED	
FC(F)(F)c1cc([C@@H](NCc2ccncc2)C(F)(F)F)cc(C(F)(F)F)c1	541193998	MSGDSFOJRZCWEP-CYBMUJFWSA-N	402.260	5.512	30	20	HKED	
Cc1cc(C)cc([C@H]2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1	543246584	VCJRUIHULKKVLJ-PMACEKPBSA-N	407.583	5.126	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc2cc(Cl)ccc2s1	550738194	VOZAEUBRFOSNGM-UHFFFAOYSA-N	412.367	5.562	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(s3)CCCCC4)n2)cc1	552042461	HZGCVWUPSLDCFU-KRWDZBQOSA-N	403.532	5.502	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1	553063407	ROXPMJPGKQZLBU-SFHVURJKSA-N	423.586	5.035	30	20	HKED	
N#Cc1cccc(C2(NCc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)c1	556407901	LSFLQJODSKMYCR-UHFFFAOYSA-N	419.868	5.691	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H]3CCCCC[C@H]3c3ccc(Cl)cc3)o2)c1	556519747	KWZKUEIIHHFPRO-LEWJYISDSA-N	406.917	5.468	30	20	HKED	
N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1Cl	567744385	YQPXWNXFKOYLRG-JOCHJYFZSA-N	406.917	5.249	30	20	HKED	
COc1cc(-c2noc(C3(c4ccc(C#N)cc4)CC3)n2)cc(Cl)c1OC(C)C	570884803	PQFBMRIMUREYNM-UHFFFAOYSA-N	409.873	5.137	30	20	HKED	
N#Cc1cc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)ccc1Oc1ccccc1	573825384	NCZNRCROFSVAQY-VXKWHMMOSA-N	409.445	5.023	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3c(C)noc3n2)c(C)s1	590783397	HWLAMNDUPWQVQN-UHFFFAOYSA-N	422.535	5.679	30	20	HKED	
C=CCN1CCC(NC(=O)c2oc3ccccc3c2CSc2cccs2)CC1	592069097	KKVFIYOOFIAUIQ-UHFFFAOYSA-N	412.580	5.167	30	20	HKED	
C=CCN1CCC(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)CC1	592069217	QZPBAHQWCBUFHC-UHFFFAOYSA-N	424.928	5.045	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)c2)cc1	606348391	PWMKYNMONNLEMP-UHFFFAOYSA-N	409.489	5.037	30	20	HKED	
N#C[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(OCc2ccccc2)cc1	609171946	JGFHPFBSIYQPEO-QFIPXVFZSA-N	424.472	5.017	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1	609435169	VPZNTJJSUGXAAS-AWEZNQCLSA-N	418.360	5.507	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1	609789251	KOSJNGBJFIIQRK-LBPRGKRZSA-N	417.412	5.107	30	20	HKED	
Cc1cccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SCCC#N)c1	609813014	PYHPKWFIAHRUTM-OAQYLSRUSA-N	421.566	5.083	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](c3ccccc3)c3cccnc3)c2)cc1	609988119	LKAPHBJOJGISCD-VWLOTQADSA-N	404.473	5.216	30	20	HKED	
Cc1cccc(-n2c(Sc3c(C#N)nnc4ccccc34)nnc2-c2ccccc2)c1	610128871	AQBYCYRTZUWJLV-UHFFFAOYSA-N	420.501	5.209	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc(F)cc1	610195328	RFQYSYVUGNAQRL-INIZCTEOSA-N	416.239	5.314	30	20	HKED	
C[C@@H](NC(=O)CCCn1cnc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1	611902611	VTCQWPMAFNILCL-LJQANCHMSA-N	408.505	5.233	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@@H]2CCc4cc(C#N)ccc42)CCC3)cc1	618808255	ZYNUPYYDUVXAPI-RTWAWAEBSA-N	401.535	5.345	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc(Br)cc2)c2ccco2)cc1Cl	619755406	IGJPFJWOASSUIA-IBGZPJMESA-N	401.691	5.446	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-c2ccccc2F)o1	642158181	RWDOOPIZGNHJHE-GDNZZTSVSA-N	423.328	5.725	30	20	HKED	
COCc1ccccc1C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	642281554	JEQUIIGXQJQLDK-ZDCBYCKXSA-N	406.551	5.247	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC2(CC1)OCc1ccccc12	675362458	JKAHFJFKPJIBAG-UHFFFAOYSA-N	414.530	5.201	30	20	HKED	
Fc1ccc2c(c1)[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CCS2	675739503	XZSBRYBWSUQIDI-GPCCPHFNSA-N	401.391	5.862	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1NC(=O)c1cccs1	677556989	ADFGNJGVKAXTJW-SFHVURJKSA-N	411.486	5.347	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)CON=Cc2cccc(OCc3ccncc3)c2)cc1	727434576	LXIMQUYKMFKOPZ-LJQANCHMSA-N	417.509	5.163	30	20	HKED	
CC(=NNc1oc(CC(C)C)nc1C#N)c1sc(-c2ccc(Cl)cc2)nc1C	727651407	XBEPNEUVZKWTCE-UHFFFAOYSA-N	413.934	5.666	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	727744187	MFGGGICZQCJIKW-KPENOIPVSA-N	411.914	5.303	30	20	HKED	
Cc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	728764837	FJFBGKMSUOTGGM-OAHLLOKOSA-N	402.441	5.778	30	20	HKED	
CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21	728845789	SPQODBBEBDBGPH-AHKGRUIUSA-N	413.340	5.029	30	20	HKED	
CC(=NNc1nc(-c2ccncc2)no1)c1c(F)cccc1O[C@H](C)c1ccccc1	730145691	KTWNHLOLYOZENL-MRXNPFEDSA-N	417.444	5.247	30	20	HKED	
CC(=NNc1ccc(Br)cc1C(F)(F)F)c1c(C)nn(C(C)C)c1C	731487407	SLGLEHRXBXFCMA-UHFFFAOYSA-N	417.273	5.698	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c1	733802116	GICCWJDGJOAUOK-AUUYWEPGSA-N	418.324	5.161	30	20	HKED	
C=CCCCN(C)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S	736590275	RVLIHLLMVJQNHF-UHFFFAOYSA-N	402.951	5.231	30	20	HKED	
COC(=O)[C@H](N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1)c1ccc(C#N)cc1	739993437	BZSJVCMTGOWVBJ-KBMIEXCESA-N	414.505	5.011	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1cc(C#N)ccc1F	742732953	KOVAPBVMPBUCKO-UHFFFAOYSA-N	419.403	5.078	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)ccc1OC(F)F	744444155	RKGRWRGMUCDTIW-LLVKDONJSA-N	423.803	5.112	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1SCC#N)c1ccc(NC(=O)c2ccccc2)cc1	748013709	NFMUWENOJIGGGN-QGZVFWFLSA-N	416.502	5.473	30	20	HKED	
N#Cc1ccccc1N1CCC(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)CC1	749531544	WFIZRLAKKGKAHY-RUZDIDTESA-N	423.560	5.060	30	20	HKED	
N#CCOc1ccccc1C(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	750217189	LYLLSPKCQIAEAQ-HNNXBMFYSA-N	403.278	5.068	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2ccccc2s1	750681897	RJEJLFDAYRXPJK-IUODEOHRSA-N	423.950	5.855	30	20	HKED	
O=C(O)CCOc1cccc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)c1	750917385	TXBVQJQXDNLGMU-GDNBJRDFSA-N	404.434	5.067	30	20	HKED	
CCc1ccc([C@@H](NCc2cccc(O[C@H](C#N)CC)c2)c2ccc([N+](=O)[O-])cc2)o1	753678564	KNFCBOAHXKNXRB-URXFXBBRSA-N	419.481	5.310	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1nc(O)c2c3c(sc2n1)CCCC3	756505361	QCLUWFBGHPKKFC-KCYZZUKISA-N	409.555	5.058	30	20	HKED	
Cc1occc1-c1nn(CN2CCCC(C)(C)[C@H]2C#N)c(=S)n1Cc1ccccc1	766109663	BXPWBHKZHZTKEC-HXUWFJFHSA-N	421.570	5.002	30	20	HKED	
C#CCC(C)(C)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	767078587	ZELURILLEHTHMB-UHFFFAOYSA-N	402.416	5.254	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1	768901980	DIGYKWVXGKGWCO-UHFFFAOYSA-N	407.420	5.101	30	20	HKED	
Cc1cc(C(=O)COC(=O)/C=C\c2ccccc2C#N)c(C)n1[C@H](C)c1ccccc1	775082169	GRNARDUJLQGVDX-FNDLEWIFSA-N	412.489	5.025	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc2)c1	777172566	LDUGHUVZEYWAFO-DEOSSOPVSA-N	424.500	5.395	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccc(SC(F)F)cc1	777573280	LDXXGQVWUZNMND-UHFFFAOYSA-N	419.400	5.018	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1ccc(Oc2ccc(Br)cc2)nc1	783043452	AHTPSVNGLKLBNA-UHFFFAOYSA-N	403.276	5.123	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)N[C@H](CC)c2ccccc2)c(Cl)c1	787037091	KJIBADLIJCEXPS-PZJWPPBQSA-N	412.917	5.109	30	20	HKED	
Clc1ccccc1COc1cccc(Cl)c1C=NNCCc1ccncc1	789098171	POCRPEFCIJEVOA-UHFFFAOYSA-N	400.309	5.134	30	20	HKED	
C=CCC1(C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)CCC1	790232691	IJBFSPZQZOCVBH-UHFFFAOYSA-N	414.299	5.353	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c1	795363757	JRIQUJABJIKJJC-GFCCVEGCSA-N	411.741	5.750	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCSc2nc3ccccc3s2)s1	797568442	RPMQSSOKQPQWOG-GFCCVEGCSA-N	401.582	5.409	30	20	HKED	
N#CC1(CCCOC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)CCOCC1	800108243	ZVKCEKGSEAFRMC-VQHVLOKHSA-N	415.942	5.725	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)NCC(C)(C)CCC#N)cc3C2)cc1	806386605	NQZYXQAEYHGMKC-UHFFFAOYSA-N	404.558	5.782	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(Cl)c1F)c1nc(-c2c(F)cccc2F)cs1	810555982	VJWJRFWNVOKPIP-NSHDSACASA-N	406.816	5.300	30	20	HKED	
COC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	915101070	BVCDPLGLTMDCDS-MRXNPFEDSA-N	411.870	5.132	30	20	HKED	
C[C@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	915101273	GFDXNKSNVPKVPN-SWLSCSKDSA-N	400.862	5.246	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(SC)cc3)c2)cc1	916133420	MOUQMVVENMLQJO-UUASQNMZSA-N	403.503	5.566	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(Br)s2)ccc1OC(F)F	916134226	HSLBTXWFFBZPSK-HYXAFXHYSA-N	403.244	5.407	30	20	HKED	
CCOc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	916153234	HSWKPXAMUBUQPK-GDNBJRDFSA-N	405.881	5.887	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)CCC(=O)N2	916591904	ULZWHUOXNOXMMB-GAJHUEQPSA-N	424.504	5.109	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c1	916696102	GEZCJZHDGWKBET-OAHLLOKOSA-N	406.338	5.166	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccccc1Cl	916908793	IWOBEAGAGZOQNX-KRWDZBQOSA-N	402.837	5.129	30	20	HKED	
N#C[C@@H](C(=O)COC1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997504	ZYWRLSOZXOZKJQ-HNNXBMFYSA-N	409.338	5.642	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(C)s2)cc(Br)c1OC(F)F	917142828	AEWCDIBFSQWLMA-SNAWJCMRSA-N	403.244	5.325	30	20	HKED	
CCCN(C(=S)Nc1ccccc1C#N)[C@@H](C)c1ccccc1Br	918723155	ADDILYTYDORNHK-AWEZNQCLSA-N	402.361	5.491	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(C3SCCCS3)cc2)sc2c1CCCCC2	921190884	LGYOMJKGCWGXDR-UHFFFAOYSA-N	414.621	6.010	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)cc2)CCC1	1788501755	XSMBDIKQDOPHBU-UHFFFAOYSA-N	421.928	5.454	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)c1	10174769	QSCKSBCSLJSUAC-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
CCc1cccc(C)c1Nc1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)s1	10345937	WHYZLPXJTQQGSB-AWEZNQCLSA-N	423.567	5.144	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccoc1C	21668481	DNGSSGJBARJJFX-MRXNPFEDSA-N	410.543	5.275	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2)cs1	41494767	OYPRVHSXQREDCU-QGZVFWFLSA-N	404.520	5.110	30	20	HKED	
CCCC(=O)Nc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1	47752183	YWIROVUVLJNJSL-UHFFFAOYSA-N	413.521	5.166	30	20	HKED	
COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc1	71837093	IPGFBJLTMHEFHT-HTXNQAPBSA-N	411.505	5.106	30	20	HKED	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	107647525	OYHORMPSYLZUCL-FOMLIJIXSA-N	418.880	5.162	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc2ccccc2n1C(F)F	149728482	MEVPJGGUNLHXBK-KRWDZBQOSA-N	404.376	5.109	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccccc1F	195569324	RTWFUDAMRXYPRJ-UHFFFAOYSA-N	421.497	5.286	30	20	HKED	
CCN(C)Cc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	303068361	WKYMVWWIJZSEHA-UHFFFAOYSA-N	414.509	5.124	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccc(Cl)cc2)CCC1	303354858	GAAJGGVBTPZLPQ-INIZCTEOSA-N	413.974	5.199	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1	303401107	RADBXNUEXFRWQV-VQTJNVASSA-N	402.416	5.154	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1	303704513	OVTGNAHRZUSOOJ-ICSRJNTNSA-N	408.571	5.071	30	20	HKED	
CN(C(=O)[C@@H]1CCCC(F)(F)C1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	409955224	BUWXYMKAGSUTCB-YPMHNXCESA-N	403.313	5.593	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c1	430619224	ZYRURMGGFHKTGE-UHFFFAOYSA-N	416.877	5.862	30	20	HKED	
C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](CCCC#N)c1ccccc1	431845832	QKCFQTXIJLLLMW-OXQOHEQNSA-N	414.347	5.114	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1cccc(CN2CCCCCC2)c1)c1ccccc1	431872117	SOSMNYPJSYXHPQ-RUZDIDTESA-N	418.585	5.297	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cc(F)cc(F)c1	434153599	KPWSZVHNNNEPBT-UHFFFAOYSA-N	421.447	5.388	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCC2)n1	435127446	CMAIDSDKYFKIQQ-UHFFFAOYSA-N	404.495	5.316	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2ccc(F)c(C#N)c2)cc1	437986550	MXSNJKWZNGFXAD-INIZCTEOSA-N	403.457	5.598	30	20	HKED	
CN(C)c1cc(CNCc2cccc(OCc3ccccc3C#N)c2)c2ccccc2n1	439476595	RMEHXJJNWVJBBD-UHFFFAOYSA-N	422.532	5.041	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)o2)cc1	439947671	FBFGVIBESHERGW-LJQANCHMSA-N	412.415	5.354	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H]1CCCc2nc(O)ccc21)c1ccc(C(F)(F)F)cc1	441517275	ZCNOLZDEWJUNJT-PKOBYXMFSA-N	419.447	5.190	30	20	HKED	
C=CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1	441576292	QOJSNUOHTJOUBT-NHCUHLMSSA-N	418.459	5.096	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)c1sc(CC)nc1C	460793498	LRRGMWDLLHQNGL-MRXNPFEDSA-N	411.575	5.055	30	20	HKED	
N#C[C@H](C(=O)c1cccn1-c1c(Cl)cccc1Cl)c1cnc2ccccc2n1	467234561	CZGHZVMUZPHCAY-ZDUSSCGKSA-N	407.260	5.217	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	467864786	CRSJPGDGGGKZSJ-KKOKHZNYSA-N	421.259	5.019	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2s1	474450937	XZMCNNMPYUQBTO-NSHDSACASA-N	404.586	5.274	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)c1	474528714	RNGOCIHVENJJTE-NRFANRHFSA-N	410.901	5.035	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1csc(Br)c1	475551932	VIMSWMKSVYUSCV-UHFFFAOYSA-N	407.377	6.026	30	20	HKED	
C=C(C)[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(F)c(F)c1	475669379	ROTRXIAWDQMFPT-FQEVSTJZSA-N	400.450	5.048	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1	476088873	IDJJXHKPDWPZHE-UHFFFAOYSA-N	411.567	5.507	30	20	HKED	
N#Cc1cc(NCc2cn3cccnc3n2)ccc1Oc1ccc(C(F)(F)F)cc1	476172095	YATHHHICEOULFV-UHFFFAOYSA-N	409.371	5.024	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1	481540008	FRPCEVDPGVYLQH-ZWKOTPCHSA-N	423.929	5.162	30	20	HKED	
CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481681208	COWRJADDZSIVJH-UHFFFAOYSA-N	421.447	5.469	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)cc1	483440329	QLUWRNNGBJIXJR-HXUWFJFHSA-N	415.356	5.070	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	484365848	HQXFPYCGHGEDHH-UHFFFAOYSA-N	410.445	6.015	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C(C)C	485527055	XQSXQTOJCTZQKV-QGZVFWFLSA-N	418.566	5.808	30	20	HKED	
Cc1cccc(Oc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)c1	486051632	LGAGJJCVLJFFRW-UHFFFAOYSA-N	402.498	5.086	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2ccccc2s1	490720151	GNWUJNSSMXEJGZ-HNNXBMFYSA-N	411.508	5.443	30	20	HKED	
Cc1ccc2nc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2c1	497441505	HZKMYMRUJCMEDN-CQSZACIVSA-N	405.429	5.435	30	20	HKED	
N#Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2ccc(Cl)cc2c1=O	502834767	XKBKHENTBQXDIW-UHFFFAOYSA-N	400.865	5.154	30	20	HKED	
CCOC(=O)c1c(CN2CCC(C)(C#N)CC2)nc2ccccc2c1-c1ccccc1	506018351	TVDOHBYHVZUEES-UHFFFAOYSA-N	413.521	5.204	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)Nc4cc(C#N)cn4C(C)(C)C)CC3)c[nH]c2c1	508043444	ITMWMMZNRDDEJE-UHFFFAOYSA-N	401.514	5.226	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OCCCC)CC1	508881392	PXBANHFPKACDHZ-FQEVSTJZSA-N	412.578	5.006	30	20	HKED	
CC(C)Sc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	508980741	YMNPYFPJAHOJTF-UHFFFAOYSA-N	416.546	6.084	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510874652	OBNNFVIZQDQFRY-UHFFFAOYSA-N	424.504	5.975	30	20	HKED	
Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	511454919	DZIJBAGSYYFTQL-DEOSSOPVSA-N	424.504	5.488	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)c1ccccc1	511566640	QJIMABFWKQIKJF-TZIWHRDSSA-N	419.422	5.331	30	20	HKED	
N#Cc1ccc(F)c(CSCc2nc(-c3ccc(Br)s3)no2)c1	512241935	LKCWJIQRSCEQOP-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H](c1ccc(Cl)cc1)c1ccccn1	512330006	VFLPTHBTKJMZBK-NRFANRHFSA-N	410.304	5.512	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1c[nH]c2cccc(Br)c12	513777197	QWQWCTHWVAIYTF-UHFFFAOYSA-N	414.328	5.117	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1	519427538	MJCZCDYQWGMRBE-OAHLLOKOSA-N	410.930	5.089	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)CCCCOc2cccc(C#N)c2)s1	520325418	OTCTVXRPPCZHEE-UHFFFAOYSA-N	408.523	5.299	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1	520854213	HAWZDXOUERABKU-HZPDHXFCSA-N	422.554	5.170	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	525370158	GZNJKCLHXOBEAI-MRXNPFEDSA-N	419.506	5.182	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc2ccccc2o1	534873057	AELQHRULLMPMOT-UHFFFAOYSA-N	403.825	5.422	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1Cl	535584189	FMTFBSIRHWQOIO-HSZRJFAPSA-N	418.880	5.218	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1C1CCOCC1	537514202	PGHVLGROBSVDFJ-QHCPKHFHSA-N	405.498	5.082	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)cc1	542130269	PWTVOHIPQMBWGK-HXUWFJFHSA-N	412.470	5.781	30	20	HKED	
CCC(=O)Nc1cccc(-c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)c1	544945918	VOTBVJMYHIJFII-VAWYXSNFSA-N	411.465	5.124	30	20	HKED	
FC(F)(F)C[C@H](N[C@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	554089342	VGVVRLBJGUWNMF-AVGNSLFASA-N	409.292	5.398	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cc4c(ccc5ccccc54)[nH]3)CC2)c(F)c1	557663010	NJRQOWXGYZVYAW-UHFFFAOYSA-N	413.452	5.015	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccoc3)C3CCCCC3)cc2)ccn1	564337856	BLGKUSIJWDGHQQ-UHFFFAOYSA-N	416.481	5.705	30	20	HKED	
CCCCSc1ccc(C(=O)N[C@](C)(C#N)CCSC)cc1C(F)(F)F	577796311	QFBLKTYMLWBZBB-KRWDZBQOSA-N	404.523	5.363	30	20	HKED	
CC[C@@](C)(C#N)c1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1	580362265	JHRUPTMCFSIVAM-IBGZPJMESA-N	413.275	5.186	30	20	HKED	
CSCc1cccnc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	589450865	ROOHERYVNKYNIM-GFCCVEGCSA-N	407.442	5.063	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)n1	598661959	PPTDTWKTQNVAGN-KBPBESRZSA-N	419.472	5.129	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cn1	603532911	FOVHRPBYEUZRSR-UHFFFAOYSA-N	413.374	5.267	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Cc4ccccc4)CC3)cn2)cc1	603690791	XANBNVLKAHAHQU-UHFFFAOYSA-N	412.493	5.232	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1	604331231	NJXASVPGSZKURR-UHFFFAOYSA-N	407.433	5.136	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccccc2Br)oc2c1ccc1ccccc12	609590152	DGHHWIJEJZFDER-IBGZPJMESA-N	419.278	5.652	30	20	HKED	
C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(C#N)cc1	609813601	PGPJSJJIXMZFJN-LJQANCHMSA-N	417.582	5.037	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2ccccc2C#N)c1	609909418	HGMYEODJLQLZDJ-WZONZLPQSA-N	414.480	5.295	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccco3)cn2)cc1	609927963	JNKGMPIRRFFGFL-FQEVSTJZSA-N	402.454	5.488	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2Cl)s1	610598348	QUFRIWNXINMDGJ-MJGOQNOKSA-N	407.926	5.375	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccccc1Br	610674079	MMUKIKCZRXZKMX-GOSISDBHSA-N	414.303	5.088	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	617992363	OIAZBTNJZQJLQX-UHFFFAOYSA-N	416.485	5.400	30	20	HKED	
CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCCN(c2ccccc2C#N)CC1	619804351	MJZZYHHXXXMXHZ-UHFFFAOYSA-N	410.949	5.253	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)cc1	679977444	FXLQIJBNRQBWAQ-HSZRJFAPSA-N	406.441	5.720	30	20	HKED	
CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1-c1ccccc1	683106048	POLCVKJYVRHKTD-INIZCTEOSA-N	418.497	5.544	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(C2CC2)[C@H]2CCCc3ccccc32)c1=S	725770813	BYYJQAPDFQMWMS-QFIPXVFZSA-N	417.582	5.162	30	20	HKED	
CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726073380	AHRHWNRUINLTTJ-BJKOFHAPSA-N	411.505	5.550	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1	726940868	XCPRVRONFAJFDL-UHFFFAOYSA-N	412.415	5.068	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)s2)c1	729941780	XZJJOOBYNAVHBE-QGZVFWFLSA-N	422.579	5.249	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)Cc3ccccc3OC)n2)cc1	730692296	XDOSGZWRAPBHJO-UZLBHIALSA-N	420.534	5.272	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F	731146184	FNISMTHGLCXGKX-PYUISTEWSA-N	410.189	5.181	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(Sc3ccccc3)CC2)cc1	731753266	ZPFBJHNISXMNRV-HSZRJFAPSA-N	413.546	5.788	30	20	HKED	
O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C/c1coc(-c2ccccc2)n1	731835345	AEVSLGPBXXOFRX-MHWRWJLKSA-N	415.396	5.252	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C	733625870	HDTPZKCAGLAVTN-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(SC(F)F)cc3)c(Cl)nc21	734979378	CISGFJJDOSJUAW-YVMONPNESA-N	407.873	5.876	30	20	HKED	
CC(C)N(C)c1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F	735364865	CJLMOHIFLZYCCT-UHFFFAOYSA-N	415.353	5.019	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cnn(-c4ccccc4)c3C3CC3)c2)s1	739597712	CTRUYQBRRLXCPX-UHFFFAOYSA-N	424.529	5.280	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	741637988	CQBIBQQEVOBDPK-UHFFFAOYSA-N	418.852	5.090	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	741914957	LTSANGAACINSAF-RBUKOAKNSA-N	410.304	5.232	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1scnc1C	743741307	CYFSYZNZMHWLBA-IBGZPJMESA-N	423.563	5.088	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1C(F)(F)F	744029956	XVMVMNJCGQQFAF-HCYCVZQXSA-N	406.791	5.110	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1	744031730	BQXWNTYNYLTOJR-QARUFBMTSA-N	424.781	5.249	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)COc2ccc(OCc3ccccc3)cc2)n1	747193744	OMVGEPHYWAMBHI-FQEVSTJZSA-N	406.507	5.101	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)NC3CCN(c4ccccc4C#N)CC3)sc2c1	749529534	DWZGRHGXVHWWIL-UHFFFAOYSA-N	409.942	5.134	30	20	HKED	
CC(=O)N(c1nc(/C=C2\C[C@H](C)c3ccccc3C2=O)cs1)c1ccc(F)cc1F	751536885	UZVHJELFMVZRJJ-LERPTODRSA-N	424.472	5.879	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1OC(F)F	753401098	YTASVYBPYHEQRF-HCYCVZQXSA-N	417.362	5.313	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cncc4ccccc34)n2)cc1	765589690	MTVQBEIEWHIPFP-NRFANRHFSA-N	413.502	5.176	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1csc(-c2cc(Br)cs2)n1	768635776	DKLVLDTVEITNBA-UHFFFAOYSA-N	413.362	5.511	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	773767401	CPVGFSZJJKJYAN-QAPCUYQASA-N	423.875	5.045	30	20	HKED	
COCCc1nc(C)c([C@@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)s1	773911309	NXXMHLBCBVLBNX-MRXNPFEDSA-N	406.507	5.097	30	20	HKED	
C[C@@H](Oc1cccc2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	774065795	SWLJSPRMFRMWKS-IERDGZPVSA-N	423.497	5.479	30	20	HKED	
CCc1c([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)oc2ccc(C)cc12	777113878	OWNNOSRWIQDZEV-QGZVFWFLSA-N	403.526	5.310	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2cc(Cl)c(OC)cc2Cl)c2ncc[nH]2)c1	787168402	HZXDIGREWXUFBY-DHDCSXOGSA-N	403.265	5.157	30	20	HKED	
O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1csc(C(F)(F)F)n1	790834060	YTPJAHRTHNWMSF-SECBINFHSA-N	423.256	5.641	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)[C@H](C#N)c1cnc2ccccc2n1)c1ccccc1	792115153	SPNHSXREFXPOMZ-FQRUVTKNSA-N	407.473	5.189	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2ccnn2C(C)C)C(=O)c2ccccc2)c(Cl)c1	794936634	CRVFFZAZLRTBSM-XSFVSMFZSA-N	421.928	5.639	30	20	HKED	
CO[C@@H]1CCC[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	796642310	AVFKGISIEUFKEH-XPKDYRNWSA-N	423.365	5.888	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)ccc21	796653265	GMJYGTWJJSGKCM-KRWDZBQOSA-N	417.465	5.006	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)cc1	796796082	GKIOIVPXCROQNP-IBGZPJMESA-N	403.482	5.283	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2csc(Cc3ccc(F)cc3)n2)s1	797571438	OWDXOQIXMVHAJN-MRXNPFEDSA-N	413.543	5.046	30	20	HKED	
Cc1cc(C(C)(C)NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1Br	810202573	GTOIPBYEPFVVBY-CQSZACIVSA-N	416.319	5.105	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1	810706299	MVFRQXRGWPSTMD-QFIPXVFZSA-N	405.535	5.307	30	20	HKED	
N#Cc1ccsc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	908095950	ZGOXPBOHJYFEQO-UHFFFAOYSA-N	407.545	5.774	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)n1	914436772	FFUCLNAKVVYYML-UHFFFAOYSA-N	419.575	5.420	30	20	HKED	
COc1ccc2cc(C(=O)/C=C\c3cc4ccccc4nc3N3CCOCC3)ccc2c1	916136929	GNFAGQVKIHQPKP-LUAWRHEFSA-N	424.500	5.129	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1	916680921	MTDHVEJNZREVEL-FTJBHMTQSA-N	409.533	6.491	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2s1	916847686	OEXDFSKUOYKXTE-SFHVURJKSA-N	420.925	5.171	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	916916493	UTTRGUOEFBCHAH-IBGZPJMESA-N	411.486	5.233	30	20	HKED	
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1	916936186	CQXSJCKUUAAKHD-HXUWFJFHSA-N	420.871	5.349	30	20	HKED	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917043537	MRIZCIQLCZJNOT-WMLDXEAASA-N	411.452	5.373	30	20	HKED	
Cc1ccc(CCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917044270	QHSPHIUWMGDKHK-MRXNPFEDSA-N	402.441	5.823	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1	918487069	JTUZBKASYFZXHA-LAUBAEHRSA-N	416.452	5.459	30	20	HKED	
Cc1ccc(-c2ccc(C=Nn3cnc4sc5c(c4c3=O)CCCC5)s2)cc1	920482991	UHCDLURMVXXWAV-UHFFFAOYSA-N	405.548	5.256	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806406	KTQMFKNKADZQQY-RYUDHWBXSA-N	418.852	5.385	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1	1786678887	HIIOMXPSPUODHL-UHFFFAOYSA-N	420.534	5.100	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1	1831376299	NTILHARZAWBSCM-GCJKJVERSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1cccc(C)c1	17708643	VHWVROREJXFWGY-KRWDZBQOSA-N	417.538	5.651	30	20	HKED	
C=CCn1c(SCc2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1Cl	29136812	SEHDXQDHJOZHCM-UHFFFAOYSA-N	410.330	5.237	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	43171652	MZLNSGLUUWGONI-UHFFFAOYSA-N	418.585	5.545	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)cc1	63326124	JGJSMAFDUPWKNF-UHFFFAOYSA-N	409.493	5.136	30	20	HKED	
CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)n1	65680238	AZHMVDDHTUGMLR-UHFFFAOYSA-N	418.522	5.051	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1	65870073	JPRHSCFIUGIFAD-UHFFFAOYSA-N	416.546	5.790	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cccc(OC(C)C)c1	66027865	YJLKDHZSUQCAPH-UHFFFAOYSA-N	400.478	5.627	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@H](C)C2	97554365	OYZNSTOVBKFGML-VEUZHWNKSA-N	422.550	5.455	30	20	HKED	
COc1ccc([C@H](CNc2snc(Cl)c2C#N)c2c[nH]c3ccccc23)cc1	111219561	IUBMROMFXICZAW-KRWDZBQOSA-N	408.914	5.402	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1	195669865	DRSADFFKWZYDKC-JOCHJYFZSA-N	414.505	5.353	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2cc(F)c(Cl)nc2Cl)s1	303167887	ITQGAYPVNCSAAY-UHFFFAOYSA-N	405.326	5.534	30	20	HKED	
Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	410282676	HZZRBVREYNFSNJ-FQEVSTJZSA-N	420.900	5.105	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cs1	429345379	MSGNFDPZNHLJTL-LJQANCHMSA-N	422.485	5.624	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl	432082121	SIQJFPAEYHOUCI-LRDDRELGSA-N	424.353	5.243	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1OCCc2sccc21	432759388	RQWHWEXBWXUKJH-IVZQSRNASA-N	419.506	5.236	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(-c2cccnc2)ccc1C	432787472	SQXBSJOAXJPXBA-UHFFFAOYSA-N	402.454	5.185	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	439796854	YNUBIKZEHIBKHO-INIZCTEOSA-N	401.466	5.195	30	20	HKED	
N#CC1CCC(CNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CC1	441143380	HWCUQGZLWGSRJA-UHFFFAOYSA-N	403.501	5.353	30	20	HKED	
C=CCC[C@H](NC(=O)c1occc1Br)c1ccc(C(F)(F)F)cc1	441565847	MJYRXJPCLHCCCO-AWEZNQCLSA-N	402.210	5.498	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)c1	445623434	JSJSNYCULHLRMH-UHFFFAOYSA-N	410.342	5.140	30	20	HKED	
COc1cccc([C@H](CNc2ccc(F)cc2C#N)c2c[nH]c3ccccc23)c1OC	462926304	VQWRLQRISPXXQJ-NRFANRHFSA-N	415.468	5.440	30	20	HKED	
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1C#N	463021495	PJCWGQQDFLNDTA-OAQYLSRUSA-N	407.832	5.130	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2SCCc3sccc32)cc1	463277570	DQPHGRFKHSJNHR-JOCHJYFZSA-N	420.559	5.362	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1	464940527	LFAVEEQYNCZCFQ-UYAOXDASSA-N	407.926	5.375	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c1	465670359	VQDAYFFVXHZAPA-OAQYLSRUSA-N	411.839	5.079	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	468403063	UTVDHQRRRLSZFD-UHFFFAOYSA-N	401.409	5.218	30	20	HKED	
CCCN(CCCN(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	470613041	OTLWXNYWQQYXBY-OAQYLSRUSA-N	412.965	5.191	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NCc1nnc(-c2cccc(C#N)c2)o1	471632110	AMCSBHJAJGORPQ-UHFFFAOYSA-N	404.539	5.954	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1	475562682	ORXDQTYPKRSSQI-DHLKQENFSA-N	406.570	6.136	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1csc([C@@H](C)OCC)n1	475577921	JOUJWRLNUOPYAC-MRXNPFEDSA-N	401.576	5.756	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1	476089696	HQPPEADDXQGUAB-UHFFFAOYSA-N	418.493	5.560	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nccn1-c1cccc(OC)c1	476796962	NNRRHAOZYQMNKD-UHFFFAOYSA-N	421.566	5.464	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	481324637	XTUGBZILLXGWQA-UHFFFAOYSA-N	404.514	5.071	30	20	HKED	
CC(C)N(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	482336449	VQYJGUIBYGMUCF-LLVKDONJSA-N	410.280	5.377	30	20	HKED	
N#Cc1ccc(NC(=O)Nc2ccccc2CCC(F)(F)F)cc1Br	487937466	YKRBXENBOCBYAD-UHFFFAOYSA-N	412.209	5.460	30	20	HKED	
C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3o2)nnc1-c1ccoc1C	488029713	XMSJLTAUKMOXPC-UHFFFAOYSA-N	420.416	5.485	30	20	HKED	
CCOc1ccc(-n2c(SCCCSCC#N)nnc2-c2cccs2)cc1	489620515	BXNQCXYMRNGXIN-UHFFFAOYSA-N	416.597	5.133	30	20	HKED	
O=C(Nc1ccc(-c2ccco2)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	490482764	HIWOFIYIAOKDJL-UHFFFAOYSA-N	410.289	5.434	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c1	494246916	FVJZJRODHJBJLH-QGZVFWFLSA-N	416.930	5.156	30	20	HKED	
CSc1cccc([C@H](NC(=O)NCC(C)(C)CCC#N)c2ccc(F)c(F)c2)c1	498290244	YLVYDGURAWJRPA-FQEVSTJZSA-N	417.525	5.405	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1OC	499320985	WEKMGPBOAVQSOJ-UHFFFAOYSA-N	400.906	5.312	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCCc4ccccc4C3)cc2F)c1	499567455	ZILXNJPBLJBCGW-UHFFFAOYSA-N	415.468	5.257	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	500036470	IZJMDRJDMMGBRK-WEZQJLTASA-N	403.507	5.064	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc12	505338083	MYIRRNKCEYLZBE-CYBMUJFWSA-N	407.326	5.060	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2)cs1	505690990	ZGUQNLDHUVDHLH-IBGZPJMESA-N	413.955	5.392	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(-c2cccs2)n1	506977271	JJFVIGWUIYXFIO-UHFFFAOYSA-N	400.463	5.065	30	20	HKED	
CCCCOc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(C)c1	507540701	YERVKVSHAUHOKJ-UHFFFAOYSA-N	409.505	5.040	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](c2ccccc2C)C1	508291422	XHFUIJTYZSPQNC-OAQYLSRUSA-N	411.505	5.989	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccc(C)cc1Br)[C@@H](C)c1ccc(C#N)cc1	509563490	HITXRNOHPUAQPJ-HOTGVXAUSA-N	415.331	5.006	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	510350816	LBYYEZYGVYHMMT-UHFFFAOYSA-N	405.429	5.294	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1	510982641	GHGWOHOQVLDCND-HSZRJFAPSA-N	418.541	5.045	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(Cl)c2)cc1	513901593	WPBQHPCGIJWIHG-UHFFFAOYSA-N	407.876	5.263	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(CC#N)cc1	513948519	MYDHRLHPOLPBER-UHFFFAOYSA-N	402.498	5.284	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)(C)CCC#N)c(C)c1	514627226	YWYJJTBMQAMJTD-UHFFFAOYSA-N	400.526	5.216	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2COc2ccccc2)c(C#N)c(C)c1C	515742305	RANKNEJTJUQKRB-UHFFFAOYSA-N	417.534	5.188	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	517474699	TVRSFOZNTMATFY-AWEZNQCLSA-N	403.935	5.264	30	20	HKED	
Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	517599909	QHPWNQUKRZBRMG-VWNXMTODSA-N	419.544	5.017	30	20	HKED	
CCCOc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OCC	518320284	FLAURPDSERAPGR-QGZVFWFLSA-N	407.297	5.176	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(Oc4cccnc4)cc3)c2)cc1	519126619	FYVOEGRKGOTZJN-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	520271420	LRZOJPGEBCYLGH-SJCJKPOMSA-N	414.349	5.599	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1OC(F)F	521355776	CTBOHHDMRQTGQM-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ncc(-c2ccccc2)o1	525344455	ZWNDYHSHNNIFSU-QGZVFWFLSA-N	424.460	5.888	30	20	HKED	
C[C@H](Oc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1)c1ccccc1	531441705	PVVIMNXGSYKWPE-IGKWTDBASA-N	411.505	5.134	30	20	HKED	
C=CCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccccc1	532081989	ZPXZDKFTMSZIPS-UHFFFAOYSA-N	403.265	5.393	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1	532492886	ULTODKPBEPRATB-HNNXBMFYSA-N	421.488	5.170	30	20	HKED	
CC(=O)N(c1nc(CN(C[C@@H](C)C#N)C2CC2)cs1)c1c(C)cc(C)cc1Cl	533758876	LVHMXRHFNPEMRZ-AWEZNQCLSA-N	416.978	5.222	30	20	HKED	
COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	535599759	SAOCQUCQQBFZAX-QZTJIDSGSA-N	411.571	5.289	30	20	HKED	
CCSc1ccc([C@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	538202237	WMGLANAPMOMVRU-IRXDYDNUSA-N	413.612	5.482	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1	540089623	ORVBYKWPYSAWOV-DHLKQENFSA-N	412.489	5.167	30	20	HKED	
COc1ccc([C@@H](NCCCC2(C#N)CCOCC2)c2ccccc2Cl)c(C)c1	540808867	REMTXVUILAXROP-HSZRJFAPSA-N	412.961	5.437	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N(C)C2(C#N)CCC2)c2nc3ccccc3s2)c1	541967288	SNHDHDHBUMXKKR-AQTBWJFISA-N	417.534	5.140	30	20	HKED	
N#CCC1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2F)CC1	541978199	ICDLJKBKTFAIBK-UHFFFAOYSA-N	408.498	5.630	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC2(CCOCC2)[C@H]1C	542635059	VSQDBKUSTWCPQP-GOSISDBHSA-N	405.498	5.082	30	20	HKED	
N#CCC1CCN(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)CC1	542890830	FZTYWBYQMBKTMQ-UHFFFAOYSA-N	420.900	5.838	30	20	HKED	
FC(F)(F)c1cc([C@H](NC[C@H]2CCCOC2)C(F)(F)F)cc(C(F)(F)F)c1	543052620	NNCCBJSADCNWMG-RNCFNFMXSA-N	409.292	5.344	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc4c(c3)COC4)cc2Cl)c1	544502253	OYELBJQDDJLUKJ-UHFFFAOYSA-N	418.880	5.002	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1	544784646	KXKNAAPTIZYUJO-UHFFFAOYSA-N	400.522	5.172	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc2c(c1)CCCC2	544896796	KQFLNTMYUAAQCE-MSOLQXFVSA-N	407.583	5.106	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	545506696	WCDFHBZEWKNGLK-QGZVFWFLSA-N	405.420	5.184	30	20	HKED	
Cc1nc(SCC(=O)Nc2cccc(Br)c2Cl)c(C#N)c(C)c1C	549028490	JIYYTWQETGAXIZ-UHFFFAOYSA-N	424.751	5.025	30	20	HKED	
CC1(C(=O)NC[C@@H]2CCCCC(F)(F)C2)CCN(c2ccc(Cl)cc2C#N)CC1	552652865	BARVOVIIIMLAMY-MRXNPFEDSA-N	423.935	5.150	30	20	HKED	
N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	553225496	VUUWCKADFGNJNS-LJQANCHMSA-N	405.376	5.065	30	20	HKED	
COCc1c(Br)cccc1NC(=O)c1sc2ccc(C#N)cc2c1C	555696062	VDNAMGSTIJEXPX-UHFFFAOYSA-N	415.312	5.243	30	20	HKED	
C=CCc1cc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc(OC)c1OC	557079631	VDPTVPNSOJWBQG-JOCHJYFZSA-N	415.480	5.134	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1ncc(-c2ccc(Cl)cc2)o1	558754152	ADAVOCLFZXJVIL-UHFFFAOYSA-N	410.260	5.192	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC[C@H](C(F)(F)F)C1	560620233	AFTPIXHISBKSMH-ADEWGFFLSA-N	407.276	5.404	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(Br)cc3C#N)o2)c(C)c1	561434876	MHIQLNULCWGVCR-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)SCc1ccc(C#N)cc1OC(F)F	563767698	WSDVHNRRECKBML-OAHLLOKOSA-N	418.509	5.852	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1	564118719	LOQJVDKOZJMMTF-UHFFFAOYSA-N	411.383	5.060	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)Nc3cccc(CC(F)(F)F)c3)cc2)ccn1	565448040	AXBWTBNITAOCLA-UHFFFAOYSA-N	412.371	5.494	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	566763557	MBUMCWXOFRFNBB-UHFFFAOYSA-N	409.580	5.527	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1	567289438	NVEJCZXUKKXIHX-GFCCVEGCSA-N	402.338	5.369	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1nc(C(C)C)c(C)s1	568835405	KRWQAHSVBAWIKY-UHFFFAOYSA-N	406.511	5.124	30	20	HKED	
Cn1c([C@@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccccc2)nc2ccccc21	575810502	RSILBQKVNTZGON-QFIPXVFZSA-N	420.438	5.343	30	20	HKED	
C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)N(c1nccs1)C1CCCCC1	575829687	DYGAMWUATFDOTM-CYBMUJFWSA-N	405.976	5.515	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(CCC(F)(F)F)cc3)cc2)ccn1	577907469	BSALMQGQLSQSFY-UHFFFAOYSA-N	411.383	5.493	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1F	579766952	BJFKFNSFLCFKCO-UHFFFAOYSA-N	401.441	5.335	30	20	HKED	
C=CCOc1ccc(CNC(=O)c2ccccc2SCc2csc(C)n2)cc1	583456864	CABOPDUDUMSINB-UHFFFAOYSA-N	410.564	5.239	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3cc(Cl)sc3Cl)cc2)ccn1	589363650	QWDZLLQNGNEUHZ-UHFFFAOYSA-N	419.293	5.436	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1	589740160	LOXVVOFHDCRYBS-FQEVSTJZSA-N	421.324	5.554	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCCCc1cccc(Br)c1)c1ccccc1	590067528	PKTKJCPXVQSQPA-HXUWFJFHSA-N	414.347	5.116	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CC(c2ccc(F)cc2)C1	590069297	QBSKSEKKQIVGBK-UHFFFAOYSA-N	401.441	5.325	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)ccc1OCC(F)(F)F	603660340	OBAJUCYPBUGZFP-KRWDZBQOSA-N	407.367	5.007	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2nc(C)cs2)cc1	609048645	VENKQGPEJPQBNV-CQSZACIVSA-N	408.483	5.007	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sccc1OC(F)F	609173874	ZQQKRKNPXMLULF-UHFFFAOYSA-N	414.433	5.361	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C(C)(C)C)cs1	609295928	IVVODOFVGJYXQI-HNNXBMFYSA-N	420.538	5.987	30	20	HKED	
COc1ccc(C2(NC(=O)Nc3ccccc3SC[C@H](C)C#N)CCCC2)cc1	609398655	HYXFOVCXRWVKST-QGZVFWFLSA-N	409.555	5.538	30	20	HKED	
CSCc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)oc2ccccc12	609414093	IGPYIGKGORBPSS-OAHLLOKOSA-N	405.306	5.597	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1	609430374	TWXLIFDMANPNJL-AWEZNQCLSA-N	419.531	6.203	30	20	HKED	
CC(C)Cc1ccc([C@H](C)NC(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1	609431754	LGPIHKHIUITCLC-OALUTQOASA-N	409.599	5.569	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(C#N)cc1F	609723991	BIOVJBATLSTAFU-UHFFFAOYSA-N	405.816	5.291	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	610156903	FQVAGGKAYDDRPF-BMFZPTHFSA-N	420.456	5.579	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1	610171497	MTLUAPIDTSGSND-FCHUYYIVSA-N	420.434	5.308	30	20	HKED	
COc1ccc2nc(C)cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2c1	610171619	OPVRLQKOUJEIHC-UHFFFAOYSA-N	424.460	5.172	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1	612345074	WKSKLPOOVZDSOX-UHFFFAOYSA-N	419.594	5.375	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2C)cc1	613407493	VJWILNAHRVDQQY-INIZCTEOSA-N	406.898	5.242	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(-c4cccnc4)c3)cn2)cc1	613460961	KWCRHLHQCCSPSF-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2cccc(NCC(F)(F)F)c2)cc1OC	630068311	QMCLCAYKFCUTFI-UHFFFAOYSA-N	400.828	5.500	30	20	HKED	
C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674459533	LJOADWXMFSVDPV-UTLUCORTSA-N	401.301	5.165	30	20	HKED	
Cc1nn(C(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	680168299	ACEQSIDBWWBCOK-GFCCVEGCSA-N	406.433	5.065	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	682766189	OKKSHCXDTGAWIH-LBPRGKRZSA-N	407.417	5.300	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1nc(-c2ccccc2)cs1	683221403	VLHPCFOAVAEYMO-GFCCVEGCSA-N	408.351	5.597	30	20	HKED	
CCn1cc(Br)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	725885331	XMMHBARMNVMXPH-IBGZPJMESA-N	408.299	5.178	30	20	HKED	
N#CCOc1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	727678575	OTDJUCDKFISBHY-UHFFFAOYSA-N	422.937	5.465	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)c1	728482400	KXUCUEINQCEKRL-UHFFFAOYSA-N	412.493	5.147	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1	728816791	UIEOLCCNZZOMIC-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
C[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(C#N)cc1	729830278	PRAYLMFKSGQREJ-JTQLQIEISA-N	419.731	5.680	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2)c1	730071756	QWZBNIAAHLHMBU-DEOSSOPVSA-N	406.485	5.541	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=S)Nc1ccccc1C#N	730155459	IQZYGONECFMURI-CYBMUJFWSA-N	412.971	5.691	30	20	HKED	
CC(=O)N(c1nc(/C=C2/Cc3cc(F)ccc3C2=O)cs1)c1ccc(F)cc1F	734308321	YBYXIYOAVFUMIE-JYRVWZFOSA-N	414.408	5.067	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1F	735396136	MGOLIDMTSMAZLS-GOSISDBHSA-N	424.834	5.555	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)c1=S	738283975	HXYFUCSLUGKQJL-DENIHFKCSA-N	419.598	5.401	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=S)Nc1ccc(C#N)c(Cl)c1	741513099	XKRLBFPKFUSVNB-UHFFFAOYSA-N	406.942	5.493	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2sccc2SC(F)F)cc1F	742960329	DBZARSNLMZPOQY-UHFFFAOYSA-N	420.437	6.118	30	20	HKED	
COc1ccc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1C#N	743282372	LQXDQXBQJSFEDI-RGVLZGJSSA-N	402.500	5.126	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	744027695	BJICZELDXHUFGY-UFYCRDLUSA-N	423.299	5.598	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2ccc(C)cc2)ccc1OC	745818850	FPFYYZPSEZCLSJ-YADHBBJMSA-N	421.541	5.121	30	20	HKED	
Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cs2)cc1	747198356	FYCAYTXJWNHESE-QGZVFWFLSA-N	411.552	5.029	30	20	HKED	
COc1ccc(O)c(C=Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1	751523354	MNQYFIKQIFLQHK-UHFFFAOYSA-N	405.841	5.540	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2cccnc2)c2ccc(F)c(C)c2)ccc1OC	753679797	UCDADANHVNDPIB-PXDATVDWSA-N	419.500	5.098	30	20	HKED	
COC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)ccc1F	756928575	BNADLRAERDNJSS-UHFFFAOYSA-N	419.412	5.229	30	20	HKED	
Cc1cc(C(=O)Nc2cnn(CC(C)C)c2C(F)F)c(C)n1-c1ccc(C#N)cc1	761028111	PUZSEDHXULXLQN-UHFFFAOYSA-N	411.456	5.008	30	20	HKED	
O=C(Nc1cccc(/C=C\C(=O)c2c[nH]c3ncccc23)c1)c1ccc(Cl)cc1	761812366	KREXZLMHPQARMZ-WDZFZDKYSA-N	401.853	5.365	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1=S	765000238	HQKGVWADGUINHL-FXAWDEMLSA-N	423.561	5.027	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)N(CCC#N)CC4CC4)cc3C2)cc1	772589630	HYBAAXADBFPBRR-UHFFFAOYSA-N	402.542	5.488	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3cccs3)cc2)ccc1OC	772977924	DAIIESBTTRPUTQ-UWJYYQICSA-N	406.551	5.955	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(Br)ccc2F)ccc1OC	772980480	PGJYSMDHUHGVDB-CZUORRHYSA-N	421.310	5.129	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc3c(ccc4ccccc43)o2)ccc1OC	776164768	KEHPMNVPCJHGIV-XLIONFOSSA-N	414.505	6.126	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1	776904353	SZKFEIYSBWNIFP-FCHUYYIVSA-N	423.438	5.810	30	20	HKED	
CCN(C(=O)Cc1ccccc1CC#N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	776921495	TWTGAHUHIFRLHV-MHZLTWQESA-N	411.549	5.452	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](CC)c1cc(F)cc(Br)c1)c1ccncc1	777243629	RVSLTAJYQFYZHY-QZTJIDSGSA-N	406.299	5.051	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-n2cnc3ccccc32)cc1	778287680	CMHGDUJLSLDNFL-HXUWFJFHSA-N	418.456	5.021	30	20	HKED	
CCN(CC)[C@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1cccc(C(F)(F)F)c1	780403625	YREPZSSXDNOVPR-WMZOPIPTSA-N	423.504	5.545	30	20	HKED	
COc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1Cc1ccccc1	780467532	BGUKALUBDMNFFN-KRWDZBQOSA-N	401.466	5.221	30	20	HKED	
C[C@@H]1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1(C)C	781447049	BRFAVCUMZBHCKR-UHOFOFEASA-N	400.931	5.281	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	781448131	MJLKKCYKXHHSEV-APWZRJJASA-N	420.534	5.191	30	20	HKED	
CC(C)[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)cc1F	782099749	PAURLDVCKKEECZ-JTSKRJEESA-N	422.891	5.003	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1	784535180	GUEIUXSJSVKRMW-IBGZPJMESA-N	416.443	5.142	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3nccc(C)c3c2C)cc1	786316539	SUUBOOKURVSMIG-SCLBCKFNSA-N	405.523	5.388	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	789452156	QSPWKYNBCZYDQV-OAQYLSRUSA-N	408.542	5.457	30	20	HKED	
Cc1sc2ncn(N=CC(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1C	799105688	GYNWEIWVHFBRAC-UHFFFAOYSA-N	401.535	5.010	30	20	HKED	
C=CC[C@@H](OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)c1ccc(Cl)c(Cl)c1	801706738	MCWLGKTVKFGGIF-QGZVFWFLSA-N	423.296	5.213	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](CCOC)c1ccc(Cl)c(Cl)c1)c1ccncc1	806819216	NPYXFDCTLVZPIT-OALUTQOASA-N	408.329	5.083	30	20	HKED	
C#CCCCC(=O)N(C)c1ccccc1Oc1ccccc1N(C)C(=O)CCCC#C	808944795	UORALOUEFLEYIN-UHFFFAOYSA-N	416.521	5.012	30	20	HKED	
Cc1cccc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)sc12	808979133	FSQWFTSLYHGRAP-OAHLLOKOSA-N	416.474	5.486	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2cccc(OCC#N)c2)cs1	811877970	DNCWTEGFDIOIBX-UHFFFAOYSA-N	409.486	5.076	30	20	HKED	
C=CCC(C)(C)CNC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1	814631567	GPVLYZWBKXCFKA-UHFFFAOYSA-N	413.484	5.044	30	20	HKED	
COc1cc(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1	815907825	LPXSEHBAQJPDOE-LJQANCHMSA-N	420.852	5.102	30	20	HKED	
N#CCCC[C@@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1	817319132	KPJXNWISQWFIIR-GDLUXTLDSA-N	406.835	5.837	30	20	HKED	
COC(=O)Nc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc(C(F)(F)F)c1	817319732	RJWNQXCBBBSXKF-SFHVURJKSA-N	419.403	5.049	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=S)Nc1ccccc1C#N	915997912	SEFMZTCIMHAZNX-UHFFFAOYSA-N	423.545	5.240	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccco2)cc1	916208725	RCAKKKWDICTHBB-ILBGXUMGSA-N	407.473	5.846	30	20	HKED	
Cc1cc2occ(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)c2cc1C(C)C	916883999	XPKWNCDHQTWBHG-HXUWFJFHSA-N	408.885	5.408	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Sc3ccccc3Cl)n2)cc1	916976753	GNKGSACEFYRZRN-GOEBONIOSA-N	412.967	6.129	30	20	HKED	
Cn1cc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)c(-c2ccncc2)n1	920065298	KVFXZKCQFHBBMN-VQHVLOKHSA-N	405.404	5.133	30	20	HKED	
C=CCn1c(SCc2cc(Cl)nc(Cl)c2)nnc1-c1ccc(Cl)cc1	920071469	QEURMPOXDKKRAN-UHFFFAOYSA-N	411.745	5.779	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4)o3)n2)cc1	920140944	LDBUAPWYKFAONN-IBGZPJMESA-N	424.485	5.146	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1	920880026	TXFQWQBTYLONTF-GOSISDBHSA-N	424.497	5.262	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(COC2CCCCC2)c1	921152112	PCZATSAUJGSJHB-UHFFFAOYSA-N	403.482	5.352	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1	1789155181	ZFNPINNMQFALTJ-NHCUHLMSSA-N	408.929	5.154	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1	1814443020	HWFUFVLLLOENPH-QUCCMNQESA-N	412.578	5.141	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1828828336	JBLOCPUQLGBTOQ-YADHBBJMSA-N	418.597	5.047	30	20	HKED	
CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1	1829956259	BJOBTOXSZCKVCW-HYBUGGRVSA-N	423.601	5.008	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cccc(Cl)c1	10830388	PAFNOIALJFRIGU-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC	41559445	WLRQZJLEAKTJBK-HNNXBMFYSA-N	413.424	5.109	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OC(F)F)cc2)cc1	55823810	UWACCCWDVKSXCP-UHFFFAOYSA-N	408.404	5.185	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2	71880463	SQDSMHYATZYTLL-BMRADRMJSA-N	401.897	5.361	30	20	HKED	
CCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(C#N)cc(C)c2Cl)cc1	78192645	FXYITIQDPRDTOV-UHFFFAOYSA-N	403.917	5.365	30	20	HKED	
Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3S[C@@H](C)CC#N)co2)cc1	217050088	PHIOGMAUYKUQIF-KRWDZBQOSA-N	420.538	5.409	30	20	HKED	
N#CCCn1cc(CNCCCO[C@@H]2CCCc3ccccc32)c(-c2ccccc2)n1	237829602	UNHSSEVNIUPTNQ-RUZDIDTESA-N	414.553	5.038	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1cccc(Cl)c1	303416549	WRMWRUGBGOABFA-HZPDHXFCSA-N	401.963	5.223	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	428915149	AMSWEGULYHHJDK-UHFFFAOYSA-N	407.477	5.087	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3cccc(C#N)c3C)s2)cc1	431950221	KZEWVBBTZWPQAM-OAHLLOKOSA-N	406.511	5.190	30	20	HKED	
CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	436097532	CHAOVPVVVKYJGI-QFIPXVFZSA-N	417.896	5.515	30	20	HKED	
C=C(C)[C@H](NCc1csc(-c2ccc(O)c(OC)c2)n1)c1ccc(F)c(F)c1	436524271	GCAIMDQKJZWIAB-FQEVSTJZSA-N	402.466	5.210	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccn2)C2CC2)cc1F	438646093	FVZPGRQQCBYYLS-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
COc1cc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)ccc1C#N	440617787	XMKYVWVEFHXNSR-UHFFFAOYSA-N	409.848	5.224	30	20	HKED	
C[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1c1ccc(C(F)(F)F)cc1	441260712	NYRQKSBBTPIOTC-XOBRGWDASA-N	412.415	5.210	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(C(F)(F)F)cc1	442295102	BFJHLPBWHWHRRF-SFHVURJKSA-N	406.452	5.025	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	443882498	UHBCZUCBFJIDEN-UHFFFAOYSA-N	405.763	5.446	30	20	HKED	
C=C[C@@H](Cc1nc(CC(=O)Nc2c(Cl)cccc2Cl)no1)c1ccccc1	445374258	SWGDZDNNAOJORS-ZDUSSCGKSA-N	402.281	5.070	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)c(Cl)c1	445797426	JIHIMHMKDBPTEQ-UHFFFAOYSA-N	406.747	5.623	30	20	HKED	
N#Cc1c(F)ccc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)c1Cl	446914907	QNSONFIQJQJBFL-UHFFFAOYSA-N	411.839	5.032	30	20	HKED	
COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	460474987	HSEHSQNIFJDBKF-MRXNPFEDSA-N	404.441	5.184	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)cc2)c1	463769913	LBSZRMMUSVDEMS-UHFFFAOYSA-N	422.444	5.530	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	464212012	RQRXLXYWDAWXNU-OPAMFIHVSA-N	401.441	5.108	30	20	HKED	
COc1cccc(-c2nc(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)c1OC	464820635	XIXJNGUUZRXHKL-NHCUHLMSSA-N	419.550	5.099	30	20	HKED	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCSCC#N)nnc1-c1ccco1	466623877	YCCBBSYTHLKWCB-LTIDMASMSA-N	402.589	5.274	30	20	HKED	
Cc1ccc2nc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)[nH]c2c1	466768355	VUCBKECPZUAVKU-UHFFFAOYSA-N	411.465	5.165	30	20	HKED	
Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)cc1	470582676	KXFVFJCRKRHWFK-RXVVDRJESA-N	400.478	5.057	30	20	HKED	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	474975207	XTQKIFASNVAIAZ-ROUUACIJSA-N	417.553	5.167	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1	475547247	GLGHCOKQNBEZAW-UHFFFAOYSA-N	410.533	5.279	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)Cc1cc(C)nn1-c1ccccc1	475563505	CLVGHRQADXZNLK-LJQANCHMSA-N	416.569	5.785	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C[C@H](CC#N)c1ccccc1	475651686	QFMSGPIFKZIUQG-KXBFYZLASA-N	407.514	5.522	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1ccc(Cl)cc1)c1cccnc1	475897638	INFPSYJGHQBVOG-PXDATVDWSA-N	417.940	5.760	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccn(C2CCCC2)n1	477022472	UZVLZXXTPUUESA-UHFFFAOYSA-N	400.482	5.010	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Cl)c1F	477093787	WBCSWMCBJUNGQB-UHFFFAOYSA-N	402.800	5.756	30	20	HKED	
Cc1c(C(=O)N(Cc2ccco2)c2ccccc2C#N)cnn1-c1cccc(Cl)c1	482262308	BFLLIBRSZJEDKF-UHFFFAOYSA-N	416.868	5.146	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1C)c1ccccc1	488670444	DSTJDASAQADLNB-OAQYLSRUSA-N	400.526	5.278	30	20	HKED	
O=C(Nc1cc(C(F)F)ccc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1	497410758	WAVAXQMTBDTPOC-UHFFFAOYSA-N	410.692	5.626	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	498826193	BOSAVLXAJOXQCP-KRWDZBQOSA-N	413.543	6.014	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)c1c(Cl)cccc1Cl	499829925	DGHQRUICQXJADJ-WWGRRREGSA-N	424.125	5.240	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1C(C)(C)C	502666218	HRPGCMSBICVJSR-UHFFFAOYSA-N	419.338	6.106	30	20	HKED	
N#C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(Cl)c1Cl	505341959	FBNDOSMABJJMLA-ZFWWWQNUSA-N	401.215	5.410	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CC[C@H](C(F)(F)F)C1	507719737	TXOOTXZPBXQUIT-NEPJUHHUSA-N	401.322	5.021	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1	507906675	BXUXVMYHXSGBGU-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1	510676311	XIDBZHHODDGTFW-JOCHJYFZSA-N	401.441	5.859	30	20	HKED	
COc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2ccccc12	512943291	NHSIRBZQZOMRHH-QGZVFWFLSA-N	419.893	5.510	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)s1	513256479	SIUIRDMRLDRNLX-INIZCTEOSA-N	405.523	5.044	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	513351089	LVKHEZAWQFESJZ-UHFFFAOYSA-N	401.485	5.086	30	20	HKED	
CC(C)c1csc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	513939952	KOARGLUHMBJZAP-UHFFFAOYSA-N	408.502	5.512	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1	515437135	OVCHOOKLRRNAQD-UHFFFAOYSA-N	418.385	5.151	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)cc3)n2)cc1	516713663	GEJANERYYMPKPF-INIZCTEOSA-N	402.397	5.328	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(CSc3ccccc3)cc2)n1	516795589	ONNDHVXCYFNLNU-GOSISDBHSA-N	422.531	5.102	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	517614575	PWAAQPGRPUUMPS-QZTJIDSGSA-N	410.587	5.332	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)C3(C#N)CCCCC3)s2)c(C(F)(F)F)c1	517783829	HYLKRXQOFRNOMB-UHFFFAOYSA-N	418.444	5.037	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)CCC2	518392268	GNVUOUPTLLJGNJ-JOCHJYFZSA-N	417.534	5.460	30	20	HKED	
N#CCCSc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl	518648537	OLOMCDMBVYTWJT-UHFFFAOYSA-N	415.729	5.670	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C(C)(C)C)cs1	520195797	MHDOLZAOMIUBDI-HNNXBMFYSA-N	420.538	5.987	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	521259586	PKGPLNIOWNOYRB-LPHOPBHVSA-N	423.538	5.079	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1	521282597	PUUYVQHLSQKJMU-FCHUYYIVSA-N	408.423	5.406	30	20	HKED	
C[C@H](S[C@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1	521330137	GSBHVCBEMOELQI-KGLIPLIRSA-N	400.466	5.111	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1	522583629	KXMWLCUQXCDUMX-UHFFFAOYSA-N	414.852	5.646	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)c1C	523536075	CBJHJMPJSDSGHQ-SFHVURJKSA-N	416.525	5.064	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cn(-c3ccccc3)nc2C(C)(C)C)cc1	531564242	OAMRFUBPPWDNTB-UHFFFAOYSA-N	403.530	5.089	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1cccc(Cl)c1	532473158	HKUCBUVFZMJSLD-JXFKEZNVSA-N	413.974	5.367	30	20	HKED	
CC(C)c1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1ccccc1	535778485	AKGUXNSTCXBHGG-GOSISDBHSA-N	413.308	5.297	30	20	HKED	
C=C[C@H](CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C)c1ccccc1	536269966	UUGSQHLKPZUXIA-QGZVFWFLSA-N	409.917	5.487	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c1	536794271	BPXAYFWJLFLILZ-UHFFFAOYSA-N	408.404	5.478	30	20	HKED	
C=CCCC[C@H](C)NC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	537259093	SYCIOVUASZLWLA-SFHVURJKSA-N	419.525	5.571	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C(F)(F)F)cc1	538229774	BVBUTEAZPBEPMH-IBGZPJMESA-N	412.415	5.424	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1	538507410	CZISHHRAHMGLOX-DLBZAZTESA-N	419.475	5.429	30	20	HKED	
Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2Cl)n1	538633366	ABLQUTUFZWPZGW-IRXDYDNUSA-N	421.932	5.398	30	20	HKED	
C[C@H](NC(=O)N1CCO[C@H](c2ccsc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	542091353	ZKHFOKYURHFSPG-SBUREZEXSA-N	417.534	5.131	30	20	HKED	
C=CCN(C(=O)c1csnc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	542113608	WGJFDYNCENCKHK-UHFFFAOYSA-N	410.351	5.715	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccccc2CN2CCc3ccccc32)C2CC2)cc1	542347510	CTKONQARMMWYSU-UHFFFAOYSA-N	422.532	5.317	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1cccc(NS(C)(=O)=O)c1	543921255	HHTZSIJLTBAZTI-MSOLQXFVSA-N	419.550	5.009	30	20	HKED	
N#Cc1ccc(CN(Cc2ncc(-c3ccc(Br)cc3)o2)C2CC2)cc1	544111141	XYJTWAZRXSZZRP-UHFFFAOYSA-N	408.299	5.140	30	20	HKED	
C=CC1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccccc2)CC1	549538991	PWIHUKZDDMCDCZ-UHFFFAOYSA-N	420.582	5.030	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)C[C@@H]1CCCOC1	549734684	NFDOBHLWIWNYNS-PMACEKPBSA-N	420.557	5.010	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)c2)c1	551105315	AMTBXMGFDSQJAD-NHCUHLMSSA-N	415.880	5.206	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1	553434967	ZDIUOKSOBCNTPS-IBGZPJMESA-N	405.494	5.130	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1Cl)CC1CC1	554447315	LBYIYKFJRQDARA-MRXNPFEDSA-N	413.974	6.178	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cccs2)cc1	559162280	LPPFRQITHVDXGP-UHFFFAOYSA-N	405.571	5.092	30	20	HKED	
C[C@H](NCc1ccc(Br)cc1C#N)c1ccc(OCC2CC2)c(F)c1	561861790	QEYTVTIJIVWSPU-ZDUSSCGKSA-N	403.295	5.099	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)n1	571726778	FWGUPMHEFFBLIG-SFTDATJTSA-N	402.523	5.107	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)Cc1cccc(Br)c1	577621226	PCIVERLNZRGEAY-FQEVSTJZSA-N	411.343	5.104	30	20	HKED	
N#C[C@@H](C(=O)c1ocnc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	580359489	BZHWRIBTOSNNHL-LBPRGKRZSA-N	404.278	5.472	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C1CC1	588235457	FUCHSHCORAWRPZ-UHFFFAOYSA-N	416.485	5.119	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)cc1	590613467	TVJDQKNOYFJHJK-UHFFFAOYSA-N	418.453	5.047	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nc2cc(F)ccc2s1	602493476	NNGMUFMHJJOLEC-MRXNPFEDSA-N	424.403	5.996	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)cn2)c1	603691512	GQGBLEWGEITLHM-UHFFFAOYSA-N	424.460	5.573	30	20	HKED	
C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	603920450	WPORBLYVIVEHCX-HXUWFJFHSA-N	421.544	5.281	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	608993809	AKTRFOCDQMNDLZ-FQEVSTJZSA-N	413.521	5.599	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCC1	609399413	UYWUCPTWIYYZPA-GOSISDBHSA-N	423.582	5.580	30	20	HKED	
CC(C)(C#N)C(=O)NCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1	609510264	HGEXMXXGNZXQCH-UHFFFAOYSA-N	421.324	5.007	30	20	HKED	
N#Cc1ccc(CCC(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1	609521910	YIWNWGBUFZNVET-UHFFFAOYSA-N	401.535	5.021	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1	609732127	YQQGXCOEOICYPJ-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1	610318306	KYFUBXDKKAZOEO-LLVKDONJSA-N	422.710	5.256	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(-c4cccnc4)cc3)cn2)cc1	610321061	FGEBLJUSVMIFDR-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)c(Cl)c1	614667712	JACVRSNNXSCZMU-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F	675532957	FKQHUDQDDLJUPY-AOOOYVTPSA-N	422.291	5.608	30	20	HKED	
C=CC[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)c1ccccc1	684538791	WIRDYTASYZYMEX-GOSISDBHSA-N	418.522	5.086	30	20	HKED	
C=CCc1ccc(OCC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c(OC)c1	728033931	KGAIEGDFYJPSOA-IBGZPJMESA-N	419.443	5.185	30	20	HKED	
O=C(Nc1cccc(/C=C2\CCOc3ccccc3C2=O)c1)c1ccccc1Cl	728441402	JKPSHXJNPXZYLA-SAPNQHFASA-N	403.865	5.641	30	20	HKED	
CC(C)[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	728768502	FCLWKSWSXSZIHK-IRXDYDNUSA-N	410.489	6.094	30	20	HKED	
COc1ccc2oc(C(=O)/C=C\c3cccc(NC(=O)C(F)(F)F)c3)c(C)c2c1	729151762	XIGXTARZUCZHMO-VURMDHGXSA-N	403.356	5.147	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	730689726	KJASNGCXEDYUDC-SMDDNHRTSA-N	422.262	5.793	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@H]1CCCc2ccccc21	731096298	CKEPQBAFSPOWIS-PKOBYXMFSA-N	422.550	5.073	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)Cn1ccc(=S)c2ccccc21	731661402	LNMPDLKQBAYJHB-UHFFFAOYSA-N	417.347	5.918	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccc3)nc2)CCc2nc(-c3ccccc3F)sc21	731937555	JFHCSZXXFCXEFR-SFQUDFHCSA-N	413.477	5.619	30	20	HKED	
N#CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)c1	735084057	CBHGDHZZOVLXMS-NRFANRHFSA-N	424.287	5.667	30	20	HKED	
CC(C)(C(=O)OCc1cc(Cl)ccc1OCC#N)c1cccc(Br)c1	735349261	NTZHTOHOSBDEEV-UHFFFAOYSA-N	422.706	5.026	30	20	HKED	
C/C(=C/C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	742686013	FOOSLRPXPQUGQP-YFHOEESVSA-N	419.287	5.452	30	20	HKED	
C#Cc1cccc(NC(=S)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	743036345	NVIAYZPBEPRDIU-UHFFFAOYSA-N	417.481	5.297	30	20	HKED	
N#CC(CCOC(=O)[C@@H]1SCCc2sccc21)(c1ccccc1)c1ccccc1	745635139	CTGLFQQSEVFSCR-JOCHJYFZSA-N	419.571	5.522	30	20	HKED	
CCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCc2ccccc21	746659541	KJWAHXBEORPCPA-FTJBHMTQSA-N	409.533	6.273	30	20	HKED	
N#Cc1csc(/C=C2\CN(C3CCCCC3)C/C(=C\c3cc(C#N)cs3)C2=O)c1	748441282	WOCAKHBHSJCDRB-GCBPPVMSSA-N	419.575	5.237	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	752680792	WLDMYUDUNPEKSN-FPOVZHCZSA-N	408.933	5.244	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1Br)c1ccncc1	756040397	SZWJZNWRSZFDBV-RTBURBONSA-N	400.320	5.008	30	20	HKED	
COc1ccc2c(c1)C=C(C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CO2	756229820	BQSJYGPVADWAKR-SFHVURJKSA-N	422.893	5.124	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1nc(Cl)ccc1Cl	762477867	FGWULWNXGBQOSR-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(OCC(C)C)CC2)c1=S	764908970	GHKPHWNHGGUJRQ-UHFFFAOYSA-N	421.010	5.015	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccccc3SC(F)(F)F)CC2)cc1	767853122	GSEAJVKNHTVUFB-UHFFFAOYSA-N	403.429	5.491	30	20	HKED	
C#CCCOc1ccc(CN(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc1	768182022	CNLATDVRUDCAGQ-UHFFFAOYSA-N	409.917	5.204	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccccc2SCCC#N)c1	772257475	SRIBWWXHKBDLEG-UHFFFAOYSA-N	411.527	5.221	30	20	HKED	
C#CC[C@@H](N[C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)c1ccccc1	773113636	DKJBQUDCYVLVKS-DYESRHJHSA-N	420.578	5.475	30	20	HKED	
CN(C(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(Br)n1	776372073	CNMFQGWCCDXXOE-UHFFFAOYSA-N	424.323	5.144	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cs1	776729114	PRMBBWLNHAAVPQ-YFHOEESVSA-N	405.454	5.043	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1N[C@H](C)c1ccc(OCC#N)cc1	777661360	UUFDAGBCFAHXKX-QGZVFWFLSA-N	406.457	5.489	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1ccc(C#N)cc1	778027258	CUYSOAHRHXFQQU-JOCHJYFZSA-N	419.525	5.032	30	20	HKED	
CC[C@@H](C#N)SC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	780330048	PSVMJYMPLHOPAO-RKPNYOAGSA-N	417.943	5.189	30	20	HKED	
N#CC1(COC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)CCOCC1	780540338	AOYNULUKNNBEGH-LJQANCHMSA-N	401.915	5.037	30	20	HKED	
N#Cc1ccc(Oc2ccccc2OS(=O)(=O)c2cccc(C(F)F)c2)c(F)c1	780820462	APTHMJNWRYBGKK-UHFFFAOYSA-N	419.380	5.195	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c(F)c1	781108536	QEZNMGSBHIMOOJ-PKNBQFBNSA-N	404.828	5.499	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c1=S	782951122	BYBKFLCESMMNHD-KNQAVFIVSA-N	419.598	5.196	30	20	HKED	
COC[C@@H](C#N)OC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	785242677	FGEMYUUTSIYUTB-CYBMUJFWSA-N	401.871	5.074	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1	788840048	NSMRGMWOTYQJNG-YVMONPNESA-N	411.248	5.099	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)OCc2ccc(SCc3ccccc3)cc2)cc1	791707053	RZAHNQIOPXWXKD-HSZRJFAPSA-N	412.514	5.276	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)sc2ccc(C#N)cc12	794221558	KUTLOKDROUULCL-QFIPXVFZSA-N	407.498	5.989	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	796643475	MVLPTCYKULMHMW-SKDRFNHKSA-N	401.265	5.729	30	20	HKED	
C[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncccc1F	798250903	BBFJWPFRMPINPF-UMCURTJPSA-N	406.301	5.149	30	20	HKED	
Cc1cc(/C=C/C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)n1C1CCCCC1	800111373	LKLVUBFCTKZWJN-VAWYXSNFSA-N	416.569	5.102	30	20	HKED	
CC(=NNc1ccnc(F)c1)c1sc(-c2ccc(Br)cc2)nc1C	814902030	DSDDUJWWYKFRJK-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(-n3nccc3C(F)(F)F)cc2)c1	864029157	BFTNBIZVWMORCJ-UHFFFAOYSA-N	421.220	5.137	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1	915086413	KJYOJJQSMBFARN-AREMUKBSSA-N	402.497	6.113	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1	915104074	JOSYNKWLVUQALB-NSHDSACASA-N	408.426	5.216	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)nc2ccccc21	916627402	RPMNACSPBAHXTE-VJSYINPZSA-N	401.466	5.191	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1C	916849100	RZDICNUNWRCPKM-IBGZPJMESA-N	412.518	5.006	30	20	HKED	
CC(=O)c1ccc(CC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1	917032968	YTKWOTCKZDZYBF-SKLOBRBISA-N	418.562	5.232	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	917042504	FPFRUTYNTQGWFE-SFHVURJKSA-N	423.463	5.469	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@@H]2C)cs1	917559327	ICDRJZVMYBGTON-VGSSETLESA-N	422.481	5.364	30	20	HKED	
Cc1nc2sccc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	917579519	BPLLUXMPNUNQMP-UHFFFAOYSA-N	404.278	5.215	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	918492109	MFWYTYWYNCYXAS-ABAIWWIYSA-N	406.404	5.824	30	20	HKED	
Cn1cc(/C=C\C(=O)c2ccc(-c3ccccc3Cl)s2)c(-c2ccncc2)n1	920069053	RMAZUYBMSVKBPM-SREVYHEPSA-N	405.910	5.760	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3ccc(C)c(C)c3)n2)cc1	920139854	ZLHGOPVYPPGJCL-HXUWFJFHSA-N	406.507	5.081	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1ccc(F)cc1	920264913	CPQOPMZMKCMKNT-FQEVSTJZSA-N	416.481	5.242	30	20	HKED	
Cc1c(O)nc2ccccc2c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	1138160635	UBGMHJCCWPNUKY-QGZVFWFLSA-N	407.473	5.279	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@H](C)c4ccccc4)CCC3)cc2)C1	1785810450	LKLSBHAHSANOHP-IBGZPJMESA-N	402.538	5.281	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cnc3Cl)cc2)CCC1	1787568070	FHMFPGKAWSQXPT-MRXNPFEDSA-N	411.933	5.003	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(C)o3)cc2)CCC1	1789582067	SZLVNGAXOYKFSU-BMRADRMJSA-N	424.566	5.045	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2)s1	20066335	LPVIVGMIFVDQBG-UHFFFAOYSA-N	414.581	5.291	30	20	HKED	
Cc1nc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1	45490016	FMDIONUGNVUXMU-IBGZPJMESA-N	410.930	5.125	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1	47358257	HZJQDIAEZXPWGD-HNNXBMFYSA-N	413.842	5.296	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C	48100297	IWBQFDKJYVIWKF-UHFFFAOYSA-N	405.542	5.087	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(-c2ccccc2)s1	49724018	MPSDWDUUMCSPTB-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1ccc(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	55823528	MEKSFOBDRXJJPS-UHFFFAOYSA-N	402.519	5.371	30	20	HKED	
COc1cccc(NC(=O)[C@H](Nc2cccc(OCCCC#N)c2)c2ccccc2)c1	56199948	ICKFFPIFSMDNHW-XMMPIXPASA-N	415.493	5.170	30	20	HKED	
C=C(C)COc1cc(CNCc2ccccc2CN2CCC[C@@H](C)C2)ccc1OC	60947883	NOWWPKSLXULFDZ-OAQYLSRUSA-N	408.586	5.172	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1	78720101	WDZMBRSLWYLFTI-KBRIMQKVSA-N	415.356	5.586	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Cl)c(Cl)c1	106190031	TYQDQFAENNNZII-UHFFFAOYSA-N	418.349	5.337	30	20	HKED	
Cc1nc(SCC(=O)Nc2cccc(C3SCCS3)c2)c(C#N)c(C)c1C	115235777	WMFOOYCKIGCHMF-UHFFFAOYSA-N	415.609	5.088	30	20	HKED	
C[C@H](NCc1cccc(OCCCC#N)c1)c1cccc(NC(=O)c2ccccc2)c1	237495906	QFGFBKQGGMYCBR-FQEVSTJZSA-N	413.521	5.472	30	20	HKED	
C[C@H](Nc1nc(N[C@@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])s1)c1ccc(C#N)cc1	301306289	YQWQNBPMAHICQY-KBPBESRZSA-N	418.482	5.141	30	20	HKED	
COc1ccc(F)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	303142470	DWQUVXHKLCTVAY-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1	303418198	XIRQKEHQURHKNY-NQIIRXRSSA-N	410.587	5.143	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OC1CCOCC1	303777244	RVDQQAHAGQZKIE-UHFFFAOYSA-N	412.489	5.344	30	20	HKED	
CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	427606165	HZXVQOJPRKIHJZ-ZDUSSCGKSA-N	423.460	5.392	30	20	HKED	
Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1cccc(SCC#N)c1	429794226	WTGVDIVCAPVXNF-UHFFFAOYSA-N	414.943	5.093	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)c3cccc(SCC#N)c3)s2)cc1	430599186	VOJXOMVDFXSUDV-KRWDZBQOSA-N	421.591	5.876	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@H](CCCC#N)c2ccccc2)cc1	433022123	IUFITDWDFNALOJ-RPBOFIJWSA-N	419.569	5.164	30	20	HKED	
N#CCCC[C@@H](NCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1	433023200	NUDZIKGGIXFNQD-QGZVFWFLSA-N	401.297	5.568	30	20	HKED	
CCSCC[C@@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437731628	KRSLETRUSGYJPN-UZLBHIALSA-N	415.990	5.991	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1	438072320	IVMXBJQPGFILBL-BJKOFHAPSA-N	411.505	5.666	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438641340	LRSSNMIFFCTKPS-NSHDSACASA-N	404.417	5.412	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1	438930059	VOKJRKUSLMGFCL-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC(Sc4ccc(Cl)cc4)CC3)o2)cc1	441410733	LUOQKLFGRHRJHG-UHFFFAOYSA-N	410.930	5.018	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC(=O)c1csc2ccccc12	446233319	GRFAKXBRDSTDDE-FPOVZHCZSA-N	402.519	5.163	30	20	HKED	
Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	462864248	WIPZRXDTXNYUDC-UHFFFAOYSA-N	419.912	5.749	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	463703205	DHHAKNJSSPRWSY-OAQYLSRUSA-N	421.541	5.799	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1	466608019	GVFHOQICPQWDIY-GOSISDBHSA-N	418.419	5.056	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)n1	466730283	ZUDWRMKTIJNAHH-SECBINFHSA-N	406.298	5.175	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N(C[C@@H](C)C#N)C1CC1	467285121	YBJYMTWFZIKQCG-AWEZNQCLSA-N	410.905	5.057	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)sc1-c1cccc(Cl)c1	468647218	IDRVFSATQXICNX-UGKGYDQZSA-N	414.958	5.444	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(C(F)(F)F)cs1	470582806	OQCJBRVRWKFMBI-GFCCVEGCSA-N	401.413	5.192	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1Cl	473629634	DLWCWBIQXVYRJN-ZJSXRUAMSA-N	423.944	5.420	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473659287	KBLUYTVUWRSOCM-DYVFJYSZSA-N	420.365	5.605	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	475563427	BXKVPQBCLLYMNC-LJQANCHMSA-N	408.439	6.493	30	20	HKED	
CSc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1Cl	475979686	OMNINVVSHPUYLM-UHFFFAOYSA-N	401.919	5.009	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	482367665	DUQMAPHUHDDUBJ-UHFFFAOYSA-N	407.857	5.195	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(Br)cc1	482510513	RBVOZRYVRBELJK-AWEZNQCLSA-N	403.345	5.272	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2scnc2C(F)(F)F)cc1Cl	485723771	IUEBYTVDQNITGH-CQSZACIVSA-N	421.831	5.723	30	20	HKED	
COc1cccc(C(=O)c2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)c1	487512486	HYRDTMMQPVOCQF-XMMPIXPASA-N	412.489	5.091	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC3(CCOCC3)C2)cc1Cl	488388354	RVILKYHMOJJTJE-OAQYLSRUSA-N	423.944	5.420	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(CC#N)cc1	495497427	QKNHBFGGWUVALC-CQSZACIVSA-N	411.914	5.321	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1	499410849	BNYHOICYKHBLES-INIZCTEOSA-N	412.114	5.070	30	20	HKED	
CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	499518909	JIBWZXKXCRQHKD-HXUWFJFHSA-N	406.404	5.067	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc([C@@H]4CCCOC4)c3)n2)cc1	500467714	WWAOGWQYRAGQEF-RTWAWAEBSA-N	413.502	5.066	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Br)cc2C(C)C)nn1-c1cccc(C#N)c1	503620447	SLAWTKGLWRLODT-UHFFFAOYSA-N	423.314	5.191	30	20	HKED	
CN(C)c1nc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2s1	505432374	AJYVXLBJDKQQCU-GFCCVEGCSA-N	410.549	5.037	30	20	HKED	
C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@H](c2nccs2)C1	508467023	WQJCIHNGEYNREK-NRFANRHFSA-N	415.566	5.049	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(C(C)(C)C)o1	509088469	CKKFZURNYXFYQT-UHFFFAOYSA-N	419.500	5.457	30	20	HKED	
CCC(CC)N(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CCCc2cccnc21	511279036	SSIPFKMAGYUHOM-JOCHJYFZSA-N	414.509	5.317	30	20	HKED	
N#C[C@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1ccc(C(F)(F)F)cn1	513029202	JGWKSKXQKGENFJ-IBGZPJMESA-N	414.358	5.309	30	20	HKED	
Cc1ncc(-c2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)o1	513108383	NIVXOOACXPCKJU-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1	515792981	UMKPYPSWCPDRNR-INIZCTEOSA-N	409.530	5.716	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	516130100	WYPPEMUFPPAYCW-IBGZPJMESA-N	402.494	5.059	30	20	HKED	
CCOc1cc(C)ccc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	516888814	ILHCYTBBIOGWSC-UHFFFAOYSA-N	411.933	5.164	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCOc1cccc(Cl)c1	517530199	KXXLBHRXQLZDTA-INIZCTEOSA-N	417.962	5.667	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COC(C)C)cc3)n2)cc1	517800859	MBOXUUNXGDVFAQ-HXUWFJFHSA-N	406.507	5.234	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-]	518740258	RIIWYPFAVPXCDH-STQMWFEESA-N	419.890	5.048	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C)=C(c2ccco2)C1	518841301	NFGZERIPYYXJMY-KRWDZBQOSA-N	408.477	5.020	30	20	HKED	
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519064388	ZWZFRKDIZYTIMD-QZTJIDSGSA-N	415.493	5.037	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1	521818205	SONBPDUUHYAPJU-UHFFFAOYSA-N	413.525	5.311	30	20	HKED	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1S[C@H](C)CC#N	523909261	MXAPFLQHUAKEGP-QAPCUYQASA-N	401.963	5.877	30	20	HKED	
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	525284702	BDHKTUWWGDUEAU-BJKOFHAPSA-N	411.505	5.544	30	20	HKED	
COc1cc([C@@H](C)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F	527099870	QGJXMYIRMYTPBM-BDJLRTHQSA-N	409.345	6.197	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	532661720	USQVQRRDJMCSJS-CVEARBPZSA-N	424.595	5.180	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	535971594	GNOXVIURSODSAB-GDBMZVCRSA-N	416.616	6.194	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	537253676	IRUGJLIVYRWRCO-CYBMUJFWSA-N	416.243	5.548	30	20	HKED	
C=CCC[C@@H](NCc1nnnn1-c1c(C)cccc1C)c1ccc(C(F)(F)F)cc1	538232433	BHXSURLONQGQBY-LJQANCHMSA-N	415.463	5.095	30	20	HKED	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCCCC1(C#N)CCOCC1	538609993	JFVOLQXJDOPGJV-QZTJIDSGSA-N	417.981	5.256	30	20	HKED	
N#Cc1ccc2ncc(CNc3cc(C(F)(F)F)ccc3SCC(F)F)n2c1	538832654	BGILMDNECRDKIT-UHFFFAOYSA-N	412.387	5.194	30	20	HKED	
FC(F)(F)c1cccc([C@H](NCc2nc(C(F)(F)F)cs2)C(F)(F)F)c1	540522297	SZCWPSWDXYJKRX-NSHDSACASA-N	408.289	5.574	30	20	HKED	
COC1CCC(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	541704613	JTYZUSBRGAZMQO-UHFFFAOYSA-N	421.541	5.048	30	20	HKED	
C[C@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542039358	DUKIZKBGYYQBBC-INIZCTEOSA-N	413.502	5.362	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	542633266	CPAGYZLDZNMHBZ-MRXNPFEDSA-N	420.538	5.022	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1c(F)cc(C#N)cc1F	543128334	CGZSOGWLLDPJMF-UHFFFAOYSA-N	423.419	5.813	30	20	HKED	
C[C@@H](NC(=O)CCCc1ccc2nc(O)[nH]c2c1)c1ccc(-c2cccc(C#N)c2)cc1	543917882	PYHFWPUTCBGUBY-QGZVFWFLSA-N	424.504	5.007	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	545378055	FFJVQDNYZIYMIN-IBGZPJMESA-N	419.308	5.126	30	20	HKED	
COc1cc(C#N)ccc1CNC1(c2nc(-c3ccccc3F)c(C)s2)CCC1	550527209	PBIKTYKISFXEJN-UHFFFAOYSA-N	407.514	5.307	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2cccs2)cc1	551529931	LFPIRPPFSWSAMG-MZNJEOGPSA-N	400.551	5.660	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)c1	554690074	RIIHOUFKWBAFHP-IYARVYRRSA-N	406.869	5.060	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1	554884015	AVRUBHYWBQUCGL-HNNXBMFYSA-N	403.507	5.263	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(Oc4ccnc(C#N)c4)cc3)o2)cc1C	562232280	KJAIUPQJDHEFOW-QGZVFWFLSA-N	411.465	5.586	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCC(C)(C)CCC#N	564028274	KYWPJNTXIJAHLO-UHFFFAOYSA-N	403.935	5.022	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1Cl	564074089	ZXFDWBRYSXKLRB-GOSISDBHSA-N	415.802	5.662	30	20	HKED	
C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H]1c1cccc(OC)c1	565076211	IWSHRFGQVGGSKI-QHCPKHFHSA-N	411.509	5.029	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc([C@H]2CCOC2)cc1	569879592	ZFTZUWYHVHTGOC-IBGZPJMESA-N	400.503	5.466	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1OC1CCCC1	575090518	AQFYRNOUIXRBAR-GOSISDBHSA-N	419.506	5.025	30	20	HKED	
CC(C)(C(=O)NCC1CCC(C#N)CC1)c1csc(-c2c(F)cccc2Cl)n1	575793430	CNSSAFWAMXVLQZ-UHFFFAOYSA-N	419.953	5.326	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	578562562	MKNADGZDWSSZFG-UHFFFAOYSA-N	415.478	5.019	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(Cc2ccccc2)CCCC1	582872409	YPYPJFTXZUVILY-LJQANCHMSA-N	407.583	5.022	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1	583195646	MHLFUXPDZNADAF-QHCPKHFHSA-N	407.535	5.210	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(C(F)F)ccc2Cl)c1	584679542	LMMKGVZUXFUIDV-UHFFFAOYSA-N	402.784	5.574	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(c3c[nH]c4ccc(OC)cc34)CC2)c1	589740355	SNAZBONOQFDZNW-UHFFFAOYSA-N	419.525	5.543	30	20	HKED	
Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2ccc(C#N)cc12	590033159	MMIMHUYANYYESV-TXEJJXNPSA-N	420.378	5.284	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1	603704637	NFBBLOFKBKWWTI-JOCHJYFZSA-N	405.542	5.063	30	20	HKED	
Cc1nn(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1Cl	604113164	WDGNHBDTVMGNGO-SFHVURJKSA-N	413.308	5.101	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3nc(O)oc3c2)cc1Cl	604387619	QSZIABHTOWDGSN-KRWDZBQOSA-N	403.825	5.095	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C(F)(F)F)nc1	609060811	FFSVNKJPBJRYPE-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N	609151827	OJBVKXYGBQMRKA-QGZVFWFLSA-N	415.880	5.084	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1COc1ccccc1	609377592	XMXYNVHQICHYRQ-SFHVURJKSA-N	402.519	5.770	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	609378675	ZEKZFTDLSOWSMO-DLBZAZTESA-N	420.456	5.462	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(F)cc1C(F)(F)F	609402818	BVSYSQHEUHJHEO-LBPRGKRZSA-N	411.424	5.418	30	20	HKED	
Cc1nn(-c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c(C)c1Cl	609427519	HAVGHJJORWQCDO-AWEZNQCLSA-N	424.957	5.789	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c3cccc(C#N)c3)s2)cc1	610356326	OXQJNRYETNLCKC-AEFFLSMTSA-N	418.566	5.762	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2ccc(NC(=O)c3ccco3)cc2)c1	610909678	CGAIGQJDLRTJER-UHFFFAOYSA-N	423.472	5.595	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1	611376272	LLQXYZFTWUODAK-CABCVRRESA-N	421.488	5.246	30	20	HKED	
N#Cc1ccc(CSc2nnc(CCCc3ccccc3)o2)c(Br)c1	611491813	TZEKYDNXNGSOIN-UHFFFAOYSA-N	414.328	5.171	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)no2)cc1	612880069	QNNVJRGYTDZWET-UHFFFAOYSA-N	424.460	5.078	30	20	HKED	
N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccc2ccccc2n1	613290945	POKFSBDGHLXICN-JOCHJYFZSA-N	401.469	5.728	30	20	HKED	
COc1cc(F)c(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	675164424	RGPKGEUAVYGQSV-YUMQZZPRSA-N	420.300	5.004	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1nc2cc(F)ccc2s1	684632302	XAAOYXODZCRSQD-INIZCTEOSA-N	413.433	5.734	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	685670085	AZDXJJJUSHPMGI-DTORHVGOSA-N	423.279	5.003	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c[nH]c2c1	726143347	BOPBKSUNPNEPBU-UHFFFAOYSA-N	409.489	5.303	30	20	HKED	
N#Cc1ccc(NN=Cc2c(-c3ccccc3)nc3sccn23)cc1C(F)(F)F	726425753	FPSAUPSIRAYCBL-UHFFFAOYSA-N	411.412	5.399	30	20	HKED	
O=C(/C=C\c1ccccc1-n1cncn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	726740384	DLKYCAIXZUGPIQ-WAYWQWQTSA-N	411.305	5.201	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cccc(OCCC(=O)O)c2)CC3)cc1	727655047	RXWZGJBYRIAGBU-QGOAFFKASA-N	419.502	5.185	30	20	HKED	
O=C1/C(=C/c2ccc(OCc3ccncc3)cc2)Cc2c(F)cc(Br)cc21	727780905	WJQMCPHYVTYIFA-CXUHLZMHSA-N	424.269	5.385	30	20	HKED	
Cc1cc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)cc(C)c1OCc1ccccn1	730085969	WQNVNUWZFMTDED-MDZDMXLPSA-N	411.505	5.101	30	20	HKED	
CC(C)COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	730396760	WOCNMBRMKUPTMX-OAQYLSRUSA-N	415.518	5.136	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	731644982	DCHJJWDFLYILPT-AWEZNQCLSA-N	404.335	5.312	30	20	HKED	
N#C[C@H](NC(=O)CCSc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1	731646087	XNWKUDVHNGDTEQ-HNNXBMFYSA-N	421.469	5.178	30	20	HKED	
CCc1cccc2c(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c12	731769205	LUCQVJCGZCOXNM-MRXNPFEDSA-N	421.472	5.551	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1	732418986	XLDCUTQUVNWULJ-URXFXBBRSA-N	415.924	6.017	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Cl)ccc1Br)c1c(Cl)cccc1Cl	733258787	LRPMJAALLOHVHQ-CYBMUJFWSA-N	418.505	5.404	30	20	HKED	
CCN(CC)c1ccc(C=Nc2cccc(C[S@@](=O)c3ccccc3)c2)c(O)c1	734366454	SEDBXTSWPINGFJ-GDLZYMKVSA-N	406.551	5.297	30	20	HKED	
COc1cc(COC(=O)c2cccc3ncccc23)ccc1OCc1cccc(C#N)c1	735131944	PYZJWIYCSSCMMQ-UHFFFAOYSA-N	424.456	5.051	30	20	HKED	
Cc1c(F)cccc1-c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)o1	735232499	NTZVGIMNJQLDNP-YRNVUSSQSA-N	420.408	5.287	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2ccccc2Sc2ccccc2C#N)cs1	736738410	FIOQFWGIAXZKMF-HNNXBMFYSA-N	424.547	5.620	30	20	HKED	
COC(=O)[C@@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccc(C#N)cc1	739990160	OJXJKAXLTBCVOX-MWTRTKDXSA-N	404.441	5.055	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)O)c2)cc1	741470778	VPSDAPQZVFJZCL-XBNGYDHASA-N	402.446	5.110	30	20	HKED	
N#CCn1cc(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)cn1	741680096	UNIOTWQXFJVRBJ-UHFFFAOYSA-N	417.321	5.258	30	20	HKED	
O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1c[nH]c2cc(Br)ccc12	743056543	YAEKEPDEIIUDNA-FPYGCLRLSA-N	420.266	5.409	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1ccc(Cl)cc1	743095521	LCLALIZHESEVFC-GAJHUEQPSA-N	419.912	5.584	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(Cl)c1	744029831	WWVZPJVNKRVHQL-OXJNMPFZSA-N	418.880	5.583	30	20	HKED	
Cc1c(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)oc2c1ccc1ccccc12	744466259	HTRQVEWCLATYAO-UHFFFAOYSA-N	409.401	5.173	30	20	HKED	
CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	745550556	YFUHAIRLZFJGHI-VGOFRKELSA-N	410.539	5.002	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)c1ccncc1	746334602	RYMMLFUDQNBTTE-HXUWFJFHSA-N	401.963	5.319	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCCc1ccc(C)cc1	746417541	ZSEIGNRHAHUTRR-GOSISDBHSA-N	412.917	5.026	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)ccc2c1	746484087	PRPBFUMMFOAZPA-LBPRGKRZSA-N	409.829	5.024	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Cl)c(Cl)c1	747113919	OOTYEFQQDAGHNQ-BXUZGUMPSA-N	402.306	5.492	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc(Cl)s3)n2)cc1	750693855	ZXGVMBFHEHURBZ-SMDDNHRTSA-N	402.928	5.514	30	20	HKED	
CCOc1ccc(C=NO[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)cc1OC	752753673	IIWFFMOIKSTZBC-AWEZNQCLSA-N	400.862	5.514	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1)c1ccccc1	757039291	NQEGRIKRVKGUKS-HLAWJBBLSA-N	415.578	5.029	30	20	HKED	
C#CCCCCNC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	758844099	MEFYSOAFLVDKLE-AWEZNQCLSA-N	420.376	5.045	30	20	HKED	
C=CC[C@@H](NC(=O)C[C@]1(CC)OCCc2c1[nH]c1c(CC)cccc21)c1ccncc1	759113589	LATXKHYMYZPIPZ-GJZUVCINSA-N	417.553	5.127	30	20	HKED	
C=CCOc1ccc(CNc2ccc(OCc3noc(C4CC4)n3)cc2)cc1Cl	770571225	QQNCZCBRLYMYRX-UHFFFAOYSA-N	411.889	5.356	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCC(C(F)(F)F)CC1	774053091	NRZOJSRMCDBGID-RTYFJBAXSA-N	407.219	5.009	30	20	HKED	
CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)c(Cl)c1O	775534719	HICHJFGGUSHYDH-GOSISDBHSA-N	420.340	5.095	30	20	HKED	
Cc1sc([C@H](C)NC(=O)Cc2ccccc2CC#N)nc1-c1ccc(Cl)cc1	776979608	VOXDTMDNGKJMPN-AWEZNQCLSA-N	409.942	5.258	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1cccc(NC(=O)c2ccccc2Cl)c1	779604638	GPJJAWQYADENDT-UHFFFAOYSA-N	409.848	5.246	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	780179393	YBLGQICQDNELLD-YSZBQJHXSA-N	412.489	5.299	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1	780669271	ASRHKJUFGIBXRH-OAHLLOKOSA-N	407.420	5.167	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](COCc1ccccc1)c1ccccc1	780675662	FQIRBPJKZHBODQ-AUSIDOKSSA-N	415.493	5.057	30	20	HKED	
Cc1ccc2cc(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)ccc2n1	783513926	HGHWWUCGSUIBEB-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	784459404	NYGDLFJEYBSNFC-UHFFFAOYSA-N	405.502	5.219	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1	789450778	QNAQQMJQHTWJGT-QHCPKHFHSA-N	418.537	5.899	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1-c1ccccc1Cl	792548015	WNYSMNNXICDZHG-HNNXBMFYSA-N	408.889	5.192	30	20	HKED	
N#CC[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	796636114	WDEFZDWPMBZTNO-PKOBYXMFSA-N	405.910	5.727	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1	798008340	HFOVKAAMNQMKGV-NNMXDRDESA-N	421.422	5.437	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1	800591256	RXEGLNLHNOQSHB-UHFFFAOYSA-N	400.809	5.149	30	20	HKED	
C[C@@H](OC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2o1	805595441	MQXPPHJKOYWKQP-OAHLLOKOSA-N	423.900	5.264	30	20	HKED	
C#CCOCSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1	814729322	LJJGARSPOUEYJE-UHFFFAOYSA-N	424.492	5.114	30	20	HKED	
C[C@H]1C(=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC[C@@H](C(=O)O)C1(C)C	814926969	RILASKWUPQMZHP-WFASDCNBSA-N	420.435	5.087	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)sc2ccc(Br)cc12	815897854	JWQQVRYKLWBOFW-CQSZACIVSA-N	424.323	5.349	30	20	HKED	
FC(F)(F)CCc1noc(/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	904870088	NBLCFHDNMPXDMF-UPHRSURJSA-N	404.232	5.773	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cs2)c1	915087900	XWZUGSNAEWDXSC-DEOSSOPVSA-N	423.541	5.955	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1	915088170	IAQRCFDLBYYKKT-QHCPKHFHSA-N	409.514	5.647	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1	915352135	FMEDYTQGQGRGDL-CLJLJLNGSA-N	424.548	5.301	30	20	HKED	
COc1cc([C@H](C)/N=C\c2cc3ccccc3nc2O)ccc1OCc1ccncc1	915981855	XQQROIVIDCXIKZ-IZGWQLHLSA-N	413.477	5.103	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)c1	916137890	LEPJHPOFJCYTAQ-MDZDMXLPSA-N	414.292	5.342	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccccc3)cc2)c1	916897328	XHEYWOWXOCIKMU-JOCHJYFZSA-N	400.503	5.249	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2ccccc2)c1	916898272	ABOXCEFCLPZTTN-HSZRJFAPSA-N	412.489	5.565	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917043371	LJWOBXVSEYEQRG-WDEREUQCSA-N	424.234	5.382	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c(F)c1	917562380	GNSPGWHSDFLPSO-YHYXMXQVSA-N	414.433	5.011	30	20	HKED	
Cc1cc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1Cl	920141031	GUOZMVIKVVBLDF-KBXCAEBGSA-N	421.909	5.287	30	20	HKED	
Cc1cc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1Cl	920141033	GUOZMVIKVVBLDF-KDOFPFPSSA-N	421.909	5.287	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccccc1)c1nc(-c2c(F)cccc2F)cs1	920804071	KEOKIJHDMHGWMB-CQSZACIVSA-N	400.475	5.447	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	921025303	LZBYKZMHXNURNQ-PKNBQFBNSA-N	422.315	5.502	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1	1787872988	QAUFNELSTBMWGT-GOSISDBHSA-N	408.464	5.231	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCSC3)CCC2)cc1	1789455652	YYHPORKBSJZFAY-RXVVDRJESA-N	412.599	5.032	30	20	HKED	
COc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccccc1Cl	15029133	DCYYPLBYDMBATJ-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
Cc1cc(C)c(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)c(Cl)c1	21515178	ILCQZMTZXIRBJU-UHFFFAOYSA-N	413.852	5.282	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C	32505033	LDRFRKPJSGNVEV-UHFFFAOYSA-N	414.962	5.433	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2ccc(Cl)cc2)cs1	41514835	YYVDOOJZUVRMPX-INIZCTEOSA-N	410.882	5.115	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2ccccc2s1	48823499	ZNEHAXRNIOSVTE-HNNXBMFYSA-N	403.488	5.100	30	20	HKED	
Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	49723958	RRSGIHJAZMGURS-KRWDZBQOSA-N	403.507	5.482	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	55550007	UJRYXIBDJIZQDO-UHFFFAOYSA-N	415.518	5.700	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCSc4ccc(F)cc43)c2)c1	60961979	MYXRTDHPUURIHV-HSZRJFAPSA-N	404.510	5.603	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	66023933	VYDRPFLTXOMRGB-GOSISDBHSA-N	402.469	5.288	30	20	HKED	
CCCC(=O)Nc1ccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	97547301	RCEBHAMJSZXZAC-UHFFFAOYSA-N	413.477	5.019	30	20	HKED	
CN(C)C(=O)Sc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1	97550519	VOMDKSFKVSVUDR-UHFFFAOYSA-N	401.491	5.251	30	20	HKED	
N#Cc1cccc(COc2cccc(Nc3nn4cc(-c5cccnc5)nc4s3)c2)c1	302055312	ACRPBASCTXWTFX-UHFFFAOYSA-N	424.489	5.047	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	303533639	RUZBEUVLQIDQGW-NHCUHLMSSA-N	404.416	5.679	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H](C)c3nc(C(C)C)no3)n2)o1	303580161	KFWDNARZDYNSRB-LLVKDONJSA-N	422.432	5.900	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1	303674162	PZUZAKQRUBERGQ-UHFFFAOYSA-N	417.852	5.141	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N(CCC#N)CCC(C)C)c1C	428895607	QIMYUFYYXRHMIS-UHFFFAOYSA-N	422.360	5.590	30	20	HKED	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H]2CC[C@@H](C#N)C2)cc1	430099081	FACLUCYSKUVRHL-NQIIRXRSSA-N	404.539	5.041	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F)c1ccccc1	431462128	YIEBCAQZXHZVHH-VQTJNVASSA-N	403.448	5.284	30	20	HKED	
CCC(CC)n1nccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	432165664	VTHAQPRWDWBPFR-CYBMUJFWSA-N	400.454	5.136	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)o1	432882460	ZSPWYHHVZRXXGW-UHFFFAOYSA-N	414.343	5.066	30	20	HKED	
N#C[C@H](CCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	433226158	LNLRBXZPLFJXFC-UPVQGACJSA-N	407.517	5.189	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@](C)(CCc2ccccc2)C1	435133512	BOZJIPHSNGUOHC-NTKDMRAZSA-N	407.583	5.815	30	20	HKED	
COc1ccc2c(CC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)coc2c1	437462319	NSDDHWQEJGTAHS-UHFFFAOYSA-N	416.408	5.426	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cc3ccccc3[nH]2)cc1F	438663044	BVUSKQXRJDLJFT-UHFFFAOYSA-N	400.413	5.293	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	439089432	UREZMKQYASYTHL-MRXNPFEDSA-N	420.683	5.605	30	20	HKED	
CC[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	461888148	JZZCDWBDQBVOEV-MOPGFXCFSA-N	408.571	5.214	30	20	HKED	
COc1cc([C@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1	461931231	MNLKFHSOOJVZQG-OALUTQOASA-N	414.505	5.127	30	20	HKED	
Cc1cc([C@H](NCC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)ccc1F	462174073	FOGPBZLBDIEPQR-DEOSSOPVSA-N	421.903	5.171	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	463817431	WVWLIDBNMNAMFM-FQRUVTKNSA-N	411.549	5.818	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464463512	RHAPVYDSHPUMDQ-IBGZPJMESA-N	424.378	5.044	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	464944863	YSEWSEVFFZKFAE-WOJBJXKFSA-N	405.498	5.170	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1	464952764	OPPRWMGKXDOOBR-CLJLJLNGSA-N	421.500	5.049	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(-c3ccccc3C)no2)n1	466608508	OQXGGWOUNBMLMC-LBPRGKRZSA-N	404.417	5.492	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccc(F)cc1	466616990	GTRGJFZGBNJZQW-OAHLLOKOSA-N	421.501	5.482	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](C)c1nc2ccccc2s1	469189843	JEOBEUALMJUTJE-IRXDYDNUSA-N	418.566	5.483	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)c1cccc(F)c1	470010146	UPJVSAASCNRGGK-OAHLLOKOSA-N	420.415	5.476	30	20	HKED	
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(F)cc1C(F)(F)F	470592765	MWNCQWJIBFUYMK-UHFFFAOYSA-N	410.289	5.407	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	475570281	BSZJNIWVRWSPFI-KRWDZBQOSA-N	420.479	5.623	30	20	HKED	
CO[C@@H](C)c1nc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1	476938814	IFASCWDGBLHOFF-KBPBESRZSA-N	421.613	5.117	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1	477660334	IKXHTLVOCHHYIG-UHFFFAOYSA-N	419.453	5.431	30	20	HKED	
C=C(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)c(F)c1	481573472	QEUQISPRQSGXFR-OYHNWAKOSA-N	415.509	5.062	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483209123	JJXYQUITRVETPW-OAHLLOKOSA-N	422.366	5.102	30	20	HKED	
Cc1ccccc1-n1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1	483280591	DDPAMIOSYUCEIL-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)c1ccncn1	483800386	BOGGHKNOFNDDEH-LBPRGKRZSA-N	418.667	5.719	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)coc2c1C	487353694	LHLNZRJITUVRGX-UHFFFAOYSA-N	401.491	5.150	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccccc1	487473716	NKMOFYRHVFLEPD-VWLOTQADSA-N	405.501	6.067	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	495440551	UIZXCSSCWFGNSJ-HXUWFJFHSA-N	410.477	5.002	30	20	HKED	
COc1cc(C#N)ccc1CNc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	500881569	YCDULEMQDYIGKB-UHFFFAOYSA-N	415.371	5.043	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1	503579883	SRJINGRWCUJLTN-SFHVURJKSA-N	405.523	5.049	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1	505310512	KPCUKJUCBANEIO-LLVKDONJSA-N	422.710	5.256	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCC(F)(F)C2)cc1	505691098	AVMPQVLYRUXUJT-GOSISDBHSA-N	400.494	5.406	30	20	HKED	
CCOC[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	506705739	QYMIEABROJEQAM-UWJYYQICSA-N	411.933	5.276	30	20	HKED	
CCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@H](C)c1ccc(C#N)cc1	510387580	DKBRBOVGYZEHLO-CYBMUJFWSA-N	424.854	5.037	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)cc1	510492625	RQYVXFSTVVUNSI-HSZRJFAPSA-N	421.541	5.028	30	20	HKED	
COC(=O)c1ccc(F)c(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	511166287	QIWBNIWWTSSXSJ-HNNXBMFYSA-N	409.301	5.024	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1	511720687	DNPARTCEIOBJOY-OAQYLSRUSA-N	424.529	5.146	30	20	HKED	
C[C@H](N[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C#N)cc1	512109202	WFSWMNQRZJXYAN-OLZOCXBDSA-N	409.839	5.298	30	20	HKED	
N#CC[C@H](CC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)c1ccccc1	512358549	SUANVLJLOAAGGV-UTKZUKDTSA-N	404.407	5.190	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(Oc4ccccc4)c3)n2)cc1	516331681	NSBKCDSJEGKCJN-HXUWFJFHSA-N	411.486	5.796	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	517530492	SEZURVWTVTWBNR-UHFFFAOYSA-N	413.477	5.579	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)s1	518054715	ANIVXPBHQOVQOC-OAHLLOKOSA-N	406.511	5.649	30	20	HKED	
CC(C)c1ccc(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)cc1	518753544	SBZDPVUKRHDTML-GOSISDBHSA-N	407.583	6.401	30	20	HKED	
C[C@@H](COCC(F)(F)F)NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1	519289562	HYBXKOBAVBQNSZ-NSHDSACASA-N	423.328	5.209	30	20	HKED	
COc1cc(Cl)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	519433869	HFLFDATYGAMVPP-UHFFFAOYSA-N	414.836	5.625	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	521086896	BTHHINGWGINIBC-HNNXBMFYSA-N	414.490	5.188	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	521259587	PKGPLNIOWNOYRB-QFBILLFUSA-N	423.538	5.079	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(F)cc2F)cc1Cl	521842217	PPJVEGPQEFIDKF-LJQANCHMSA-N	411.839	5.595	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(Cl)s2)cc1	522344549	GJFCYIQVCFIDCK-UHFFFAOYSA-N	413.905	5.324	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1coc(-c2ccccc2)n1	523107804	PLOBPARNQBMWIK-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C=CCN(C(=O)Cc1ccc(CC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	525007082	NXUZICQAFZRDLY-UHFFFAOYSA-N	407.495	5.042	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2ccccc2OCCn2ccnc2)c1	533210091	URCXMDCKBWCRTJ-UHFFFAOYSA-N	424.504	5.025	30	20	HKED	
Cc1cc(Br)cc(Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	537551313	PICINVTVEVBDAB-LLVKDONJSA-N	423.763	5.915	30	20	HKED	
CC(=O)c1ccc(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	542180828	JBILBRAVJAVMED-INIZCTEOSA-N	421.312	5.423	30	20	HKED	
COc1ccc([C@H](NC(=O)Cc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1	542777614	ZSANHIYUZOTMAY-HSZRJFAPSA-N	424.422	5.034	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	542838744	HOXQXFGFOZUGBW-UHFFFAOYSA-N	421.476	5.151	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1(C)C	545376137	ACWUNPKUXIYVIY-QMMLZNLJSA-N	408.929	5.575	30	20	HKED	
C=C(C)[C@@H](Cc1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1)OCC	545761506	CGLFTPDIXRXBBP-QGZVFWFLSA-N	419.403	5.466	30	20	HKED	
C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2Cc2cccs2)CC1	549955341	OMRKCDTWZAALDM-UHFFFAOYSA-N	401.539	5.068	30	20	HKED	
C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Cl)c(Cl)c1	552693284	DBLFWQBSWHHAMO-ZDUSSCGKSA-N	421.299	5.178	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1csc(-c2ccc(CC)cc2)n1	553449292	KAWZHTSWEDRDGS-UHFFFAOYSA-N	422.598	5.297	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OCC2CC2)CC1	555266424	ZNYOYVGOAXPIBC-UHFFFAOYSA-N	421.372	5.223	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Oc4nncc5ccccc45)cc3)CC2)c1	556972427	YAOFJSSGGOTNRI-UHFFFAOYSA-N	424.435	5.103	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccncc1OCc1ccccc1	557363162	IASWITLTIIDCKI-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
CN(C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	558209953	IYBVQHDDSJDQTD-YUTCNCBUSA-N	400.338	5.192	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1	570609117	SNJXHZGMRBEISW-QHCPKHFHSA-N	401.510	5.128	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cs1	573767474	SVLDKIBUCWWAAH-UHFFFAOYSA-N	421.541	5.975	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)C(F)(F)F	574603550	PEWKPOBNGFRXQA-AWEZNQCLSA-N	407.392	5.343	30	20	HKED	
COc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c(Br)c1	583964035	OPGCMJZIDKQUOJ-UHFFFAOYSA-N	410.271	5.129	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)c12	603532594	ACCQHYBVWMNFLX-UHFFFAOYSA-N	408.461	5.127	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccc4ccccc4c3)o2)c1C#N	603726703	VWYMHYLOYXQGNO-UHFFFAOYSA-N	423.501	5.548	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1Cl	603758954	PZRARYRVSHFPPH-OAHLLOKOSA-N	418.777	5.804	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603828966	HHRCAIAYESANOR-OAHLLOKOSA-N	406.873	5.624	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2)cn1	604005611	ZYNFXQOPKGFNCS-IBGZPJMESA-N	417.465	5.208	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1Cl	604140922	RLBRDIYCVRXFAH-OAQYLSRUSA-N	423.944	5.021	30	20	HKED	
C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609079414	BMIBCBGEYILHGF-MRXNPFEDSA-N	420.900	5.411	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)c2)cc1	609209588	CXLGUYVEDNRCQW-RPWUZVMVSA-N	413.477	5.392	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl	609387831	JNIYKSLLGFFUQW-RYUDHWBXSA-N	409.342	5.079	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)c(F)c1	609389284	JPCSOYYKFMHLMP-ZIAGYGMSSA-N	406.523	5.649	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCc2ccc(O)cc2)CC1	609435095	OXQKSEHMIJFIPT-GOSISDBHSA-N	423.582	5.663	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1ccccc1	609438241	HMQUZJWFHBAEDD-RBUKOAKNSA-N	423.582	5.409	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)no1	609502007	MUMQWONMYJEYRW-UHFFFAOYSA-N	410.433	5.156	30	20	HKED	
Cc1ccc(C)n1C1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1	609520319	IIRSTBOSEIWRML-UHFFFAOYSA-N	413.521	5.441	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1	609642057	XWTBIHGYYIXTKX-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)c1ccc(C#N)cn1	609652746	MEYLXSNPVSAKFH-UHFFFAOYSA-N	413.521	5.120	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc1C	609665520	SKKRXFIJOGQSBJ-OFNKIYASSA-N	412.537	5.099	30	20	HKED	
CN1CCC[C@@H](CNc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1	609797599	GDXIWGGZMKMPSI-YJBOKZPZSA-N	408.855	5.120	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3ncc[nH]3)c2)cc1	609875799	BWSXSQVVYBDTAH-UHFFFAOYSA-N	410.502	5.493	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)o1	610095186	ISIBLDQHUXEUTI-YLJYHZDGSA-N	411.571	6.243	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(COCc2ccccc2)cc1	610184849	LCJDXLJHBSXRPX-RUZDIDTESA-N	414.505	5.317	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(COc2ccccc2)n1-c1ccccc1	610863419	GJBPFUUGRVLIOC-QFIPXVFZSA-N	412.518	5.073	30	20	HKED	
COc1ccc(CNc2ccc(CN3CCCC[C@H]3C)cc2)cc1OCCCC#N	610909683	HNVPTOGQSJWZHQ-HXUWFJFHSA-N	407.558	5.364	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)CCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346981	UEBOPPGINSUWDI-OAHLLOKOSA-N	415.301	5.542	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	613402671	FIVFETNDNYZGFJ-NSHDSACASA-N	415.952	5.933	30	20	HKED	
CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674501511	OOCMSLWEBOLULK-UPJWGTAASA-N	421.303	5.398	30	20	HKED	
C=C[C@@](C)(CC)C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	682379844	FXAQDUDWUJMOMP-DHLKQENFSA-N	411.590	5.304	30	20	HKED	
C=C[C@H](CC(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)c1ccccc1	684539250	UABAFMTYKXIFIW-OAHLLOKOSA-N	418.522	5.086	30	20	HKED	
N#C[C@H](C(=O)c1ccn(C2CCCCC2)n1)c1nc2cc(C(F)(F)F)ccc2s1	684631577	SSZKENSFKRYMEQ-CQSZACIVSA-N	418.444	5.507	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)s1	684676105	UUWHKIKIUCNYQX-LBPRGKRZSA-N	417.506	5.992	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)ccc2s1	727954418	PNQDYXYDEHYRPW-CQSZACIVSA-N	400.290	5.503	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)COc1ccccc1	728120155	VLMXYFPQYGPRRF-LJQANCHMSA-N	415.493	5.035	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3csc(-c4cccs4)n3)cc2)nc1	732399184	KBCCLYORFKCRJU-UHFFFAOYSA-N	419.487	5.288	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCCN(c2ccccc2)C1	734644824	WMELHQJAPFGDMU-IZZNHLLZSA-N	424.548	5.475	30	20	HKED	
CC(C)Oc1ccccc1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740036313	PXQDVEJGNKSUQA-UHFFFAOYSA-N	405.523	5.073	30	20	HKED	
Cc1ccc(Sc2ccc(CNCc3cc(C#N)ccc3F)cc2[N+](=O)[O-])cc1	742382038	YPTKPXXEEXZKHJ-UHFFFAOYSA-N	407.470	5.355	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)Nc1ccccc1COCc1ccccc1	743100782	IGEIDNSSXPDMCD-UHFFFAOYSA-N	404.441	5.199	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C1CCC(c2ccccc2)CC1	744028714	LKZRBZMBQGFIDK-CTWPCTMYSA-N	424.928	5.278	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1ccc(N(CC)c2ccccc2)cc1)c1ccncc1	745826731	CZKBIYSUXICIJI-XMMPIXPASA-N	400.526	5.356	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)n1	747198473	XHZIXBKJOUCXEU-HNNXBMFYSA-N	401.944	5.462	30	20	HKED	
COc1ccc(/C=C2/COc3c(Cl)ccc(Cl)c3C2=O)cc1OCCCC#N	748583613	HYEBVNCMPICJHZ-UVTDQMKNSA-N	418.276	5.343	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1	750684577	RXMTUZHQYVFXJO-USYSOWRXSA-N	407.684	5.398	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc(C)nc21	751083341	IPCYLWIUUIXCCM-FDDCHVKYSA-N	423.520	5.619	30	20	HKED	
Fc1ccc(C2OCCO2)c(Cl)c1C=NNc1ncc(C(F)(F)F)cc1Cl	761744025	WXDZOLWOEGWSDU-UHFFFAOYSA-N	424.181	5.038	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1cccc(C(=O)c2ccccc2)c1	762018887	JEATTXXAJSACHV-OXJNMPFZSA-N	410.498	5.507	30	20	HKED	
CCOCCC1(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCCC1	763496217	SFORUZGGTOWGGK-AWEZNQCLSA-N	404.482	5.252	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)cc1	769946302	QKDOOMCGNJXIHR-SZLZGVTBSA-N	420.818	5.196	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1	782764402	QGEZWQUAYFOZCQ-UHFFFAOYSA-N	414.412	5.216	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(c2ccccc2Br)CC1)c1ccncc1	784525756	QFXKZVBIQWUJIS-FQEVSTJZSA-N	414.347	5.051	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl	790972264	ASTBQEXMBUJSDG-LLVKDONJSA-N	418.671	5.065	30	20	HKED	
C[C@@H](OC(=O)c1ccc(F)c(C#N)c1)C(=O)N1c2ccccc2Sc2ccccc21	792320171	DQCCJUIZKNJZMU-CQSZACIVSA-N	418.449	5.072	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C/C(=O)c1ccc(-c2ccncc2)cc1	794701519	MNLRPUHSNBJJAY-MDZDMXLPSA-N	400.869	5.187	30	20	HKED	
N#CC[C@H](CC(=O)OCc1ccc(Br)c2cccnc12)c1ccccc1	795987793	WWLPQVHWGSMKPQ-MRXNPFEDSA-N	409.283	5.128	30	20	HKED	
C=C(C)CNC(=S)N(Cc1cccs1)Cc1ccc(C)cc1Br	798382977	FQAZNYZJMSHDFA-UHFFFAOYSA-N	409.418	5.272	30	20	HKED	
Cc1ccc(C(=O)Nc2nc(C)c(-c3nc4ccccc4n3C(F)F)s2)cc1C#N	799301317	SFCDEDKZJDUGNF-UHFFFAOYSA-N	423.448	5.296	30	20	HKED	
COc1cc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cc(OC)c1OCC(F)F	809158914	YNHDHQZYIWYUGZ-MBBOSUJBSA-N	400.421	5.048	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1F	813212232	ZUXGSBMJSNYNMV-ZDUSSCGKSA-N	423.366	5.077	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](C=NNc1ccnc2cc(Cl)ccc12)CC(F)(F)F	814693758	GNQFZOOVLYHLJG-LBPRGKRZSA-N	416.831	5.132	30	20	HKED	
C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1O	815556076	NPFRMGCLJXWCDR-GUBZILKMSA-N	423.319	5.971	30	20	HKED	
CC(C)Oc1ccc(-c2ccc(NC(=O)c3ccccc3OCC#N)c(F)c2)cc1	817050115	AYYVFBMCKWNWFT-UHFFFAOYSA-N	404.441	5.435	30	20	HKED	
O=C(/C(=C\c1cnc(N2CCCC2)nc1)c1nc2ccccc2s1)c1ccccc1	915982506	GQGOFMNWXOADIP-XMHGGMMESA-N	412.518	5.110	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(Cl)c1	916940991	YDJYWSCHGQZHAN-KRWDZBQOSA-N	412.873	5.072	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Sc4ccccc4)CCC3)cc2)C1	1785804867	VTXNMARTUCVABY-GOSISDBHSA-N	420.578	5.268	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1	1787655461	BGBONZBUBWGUPQ-UHFFFAOYSA-N	417.553	5.061	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2	1793054855	LGVCNVMMWBHWQE-KOUNCHBCSA-N	402.623	5.390	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[C@H]2C)CC1	1823752437	SJZPOOUBCZGCTQ-BAGYTPMASA-N	402.623	5.035	30	20	HKED	
N#CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1	20067161	FAHITYSYGPKQQE-UHFFFAOYSA-N	424.529	5.541	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1	32238392	SDUWKLJSRZKRCD-UHFFFAOYSA-N	402.469	5.215	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1	41540198	NTRVSOIIMUXRIC-LLVKDONJSA-N	412.232	5.588	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1	56301094	IFKKWEGVLYYOSJ-UHFFFAOYSA-N	411.864	5.027	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)N1CCc2sccc2C1	63641461	DBLAERQAWFHBTJ-KRWDZBQOSA-N	417.534	5.106	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1-c1ccccc1	64814891	MXYAPBADSUOCLA-UHFFFAOYSA-N	408.457	5.674	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1	109153881	XBTNOHVTSQZYTL-KBMIEXCESA-N	413.521	5.773	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1c(Cl)cccc1Cl	303280871	JZWFZEPLMSOJMX-LBPRGKRZSA-N	411.379	5.976	30	20	HKED	
C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1ccc(C#N)cc1	303739092	YLYOUPIJKAPRGX-AWEZNQCLSA-N	421.909	5.416	30	20	HKED	
Cc1nc(C(C)C)oc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	429678483	AKOCIMWUNMEYEV-CYBMUJFWSA-N	420.321	6.027	30	20	HKED	
N#CCC1(CNC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1	431132713	NYTKAHYCJQCMOL-UHFFFAOYSA-N	410.926	5.802	30	20	HKED	
COc1ccccc1CSc1ccccc1NCC(=O)Nc1ccc(CC#N)cc1	431207853	IFGQAUHEKCIWIM-UHFFFAOYSA-N	417.534	5.104	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1cnoc1-c1ccc(Cl)s1	433489004	BYECYYPYFMZDML-UHFFFAOYSA-N	408.870	5.728	30	20	HKED	
COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1	438045384	BEDCJVIGBIOZQX-ICSRJNTNSA-N	423.582	5.434	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1	438072322	IVMXBJQPGFILBL-RPWUZVMVSA-N	411.505	5.666	30	20	HKED	
N#Cc1cc(NC(=O)NCc2ccccn2)ccc1Oc1ccc(C(F)(F)F)cc1	438517408	MQUBRZSXLYDOGX-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1	445173716	NMMVUQXLVBDQIA-KZNAEPCWSA-N	415.603	5.131	30	20	HKED	
CC(=O)N(C)c1ccc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1	447420766	COOWVTPDRNGQSL-UHFFFAOYSA-N	417.896	5.041	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	460879993	JGHZMXHWQKAVPP-PMACEKPBSA-N	403.309	5.442	30	20	HKED	
Cc1ccnc(Oc2cc(NCC(=O)Nc3ccc(C#N)c(Cl)c3)ccc2C)c1	462170404	KIQFYVDOVQIUFT-UHFFFAOYSA-N	406.873	5.066	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1	463536607	PTWNAAULANPJFO-UHFFFAOYSA-N	421.859	5.174	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1	467070336	VFACBSOZOZGVPX-GOSISDBHSA-N	402.404	5.292	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)N2CCC(C#N)CC2)cc1	467265573	XCFGRAFRHZXTDW-UHFFFAOYSA-N	401.535	5.090	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1	470582533	JXURECONQPJPNV-GFCCVEGCSA-N	417.412	5.317	30	20	HKED	
O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(C(F)(F)F)ccc1F	471596326	XFELJAVTZUQWRF-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(OCc3ccccc3C#N)cc2)n1	474437803	ZEGZSIGWUGSWGW-FQEVSTJZSA-N	401.491	5.207	30	20	HKED	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H](C)c1ccc(C#N)cc1	474692190	CJSDZAMLHQATSF-CYBMUJFWSA-N	424.298	5.029	30	20	HKED	
C=C(C)[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(F)c(F)c1	475667013	FENDYOTWJKVWER-FQEVSTJZSA-N	402.441	5.204	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ncoc3-c3ccccc3)cc2)c1	478796758	QZICWSSZVUUKOB-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1C(F)(F)F	482065106	YEKRWZXKLXPDAU-FQEVSTJZSA-N	416.443	5.188	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@](C)(CC(=O)OC)c1cccc(OC)c1	482188908	SUNXDGXDSNMUNC-VWLOTQADSA-N	424.541	5.147	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCCOc1ccccc1)c1nccc2ccccc12	483193839	GFDIYXRWXGTOEY-HSZRJFAPSA-N	408.457	5.183	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1	483638821	APDHBYYEAAJYPW-UHFFFAOYSA-N	409.445	5.450	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1	494696643	KGEVXKQABOHFKX-LJQANCHMSA-N	414.619	5.813	30	20	HKED	
CCOc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	496550342	JAUVLISOURKZJT-QGZVFWFLSA-N	412.898	5.361	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1	499377430	LCCLRESRQMJTIN-WOJBJXKFSA-N	421.294	5.251	30	20	HKED	
N#CCCn1cc(CNCC(c2ccccc2)c2ccccc2)c(-c2ccccc2)n1	500099295	YWZLHGPOJWVVTD-UHFFFAOYSA-N	406.533	5.385	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccncc1C(F)(F)F	506932329	QMXCIMFEDBZVRE-UHFFFAOYSA-N	414.252	5.015	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)CCCc1cc(-c2ccccc2)no1	508271825	FGRFLOSBEJXQGH-UHFFFAOYSA-N	418.497	5.097	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1	509851290	OMYGYNJNRIMLRW-UHFFFAOYSA-N	423.944	5.303	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccco2)cc1	510524613	XXXHJHPQGZNAKF-DEOSSOPVSA-N	409.445	5.855	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCC#Cc2cccc(F)c2)cc1	512159498	RKHGUUMWAHYBGB-IBGZPJMESA-N	416.496	5.255	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	518869969	KYOAPSGXDYWSOP-AWEZNQCLSA-N	421.428	5.542	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1C	519942534	LFTRVSKTKYDNSB-NLFFAJNJSA-N	404.558	5.121	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)cc2)nc1	521956822	FQZMYAYHGAIPBV-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3cccc(Cl)c3)cc2)nc1	521961081	XBUHYOZMLYIEHD-NRFANRHFSA-N	403.869	5.376	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)sc2c1-c1ccccc1CC2	522893880	YPZCGCHHJZOFBU-UHFFFAOYSA-N	409.854	5.199	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CCCOc2cccc(Cl)c2Cl)c1	524382218	RDJQJMOWAISEQB-UHFFFAOYSA-N	415.223	5.264	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2Cl)c1	524392792	FIYUREZCLPFIBI-UHFFFAOYSA-N	401.853	5.524	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1ccc(C#N)cc1	533161698	MEDGMIXIVDXBHB-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2c(F)cccc2F)c1)c1nc(-c2ccncc2)cs1	533868920	SPTGTBGFQDCWDR-QGZVFWFLSA-N	417.440	5.640	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)n2)c1	534053604	VNDRDLRAHMPPNE-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)cc1	534084496	UMBYWOGYHZVYHA-UHFFFAOYSA-N	414.461	5.616	30	20	HKED	
CC(C)c1cc(Br)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1	534812282	VUBJGJLBNPAXHE-GOSISDBHSA-N	400.320	5.739	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCc1ccccc1	535487007	WNYDYMITURGNPA-UHFFFAOYSA-N	413.521	5.542	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccccc1	537078696	OMXNCEJHZYABGW-CRAIPNDOSA-N	421.488	5.303	30	20	HKED	
CC(C)COc1ccccc1[C@H](CC(C)C)NCc1nnc(-c2ccc(C#N)cc2)o1	537178656	UWNTZYSTQLDSLI-QFIPXVFZSA-N	418.541	5.520	30	20	HKED	
COc1ccc([C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1	537293883	KOWAOZSVVFRYJH-FYSMJZIKSA-N	406.913	5.669	30	20	HKED	
Cc1cccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)[nH]2)c1	540080193	WFCXYAUFFDOAFA-LJQANCHMSA-N	423.501	5.179	30	20	HKED	
C[C@@H](Sc1nnc(C(F)F)n1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	542102777	QFQQHTQRVSEQHQ-ZCFIWIBFSA-N	405.314	5.644	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1c(F)cccc1F	542934009	FBNZAZRRJAOZND-CVEARBPZSA-N	405.448	5.181	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	542952205	UUZRQHBNALGWRT-BEFAXECRSA-N	411.575	5.570	30	20	HKED	
Cc1ccccc1C1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	543557136	PITROLNOBUTWKS-GOSISDBHSA-N	407.583	5.065	30	20	HKED	
N#Cc1ccc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(F)c1	543691677	KSTXDGBZCDYMRD-UHFFFAOYSA-N	416.403	5.247	30	20	HKED	
C[C@H](CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	544235774	JEWGRLGEGPKSNY-DNVCBOLYSA-N	424.957	5.719	30	20	HKED	
COc1c(-c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)cnc2ccccc12	544974326	JBCAUTRIFXWBOI-VAWYXSNFSA-N	421.460	5.332	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2ccc(C#N)c(Cl)c2)cc1	548612360	PMRZKQBTKDQDAU-QHCPKHFHSA-N	403.913	5.421	30	20	HKED	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	549081001	IBHLBGTWUXNUAU-HNNXBMFYSA-N	410.861	5.073	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1	550971051	XUQPMEJTEHYTKV-IBGZPJMESA-N	400.482	5.017	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1F	553306306	IRUYHSJMAOQKTI-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
CC[C@@H](C)[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	554597895	JJWQYEZVYABALJ-DYESRHJHSA-N	410.949	5.089	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cccc1-c1ccccn1	558558924	COVDWIHYGNHIKS-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)c2C#N)C1	574616333	ATEVDPGNVFXJQX-QMMMGPOBSA-N	400.372	5.294	30	20	HKED	
CN(C(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	579285203	ZHGZFXRJGTXLLZ-KLPPZKSPSA-N	416.337	5.352	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1nc2ccccc2o1	584199630	QGACSQPYAJAEKO-QGZVFWFLSA-N	421.478	5.508	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	589740174	LUWSQPSEIHWFSQ-CHWSQXEVSA-N	410.358	5.236	30	20	HKED	
O=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1cc(C(F)(F)F)ccc1F	590325349	MUEYGHSMVBVDDB-UHFFFAOYSA-N	410.289	5.107	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCO[C@H](c2ccccc2)C1	591835947	PNCJPVGSBGWFPR-QHCPKHFHSA-N	402.519	5.143	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)n1	598661962	PPTDTWKTQNVAGN-ZIAGYGMSSA-N	419.472	5.129	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	604084940	MAEVMEUPSFEICC-OPAMFIHVSA-N	419.912	5.887	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OC2CCCCC2)c1)c1nc2ccccc2n1C(F)F	606753138	HTGJWXWSKJHNRG-SFHVURJKSA-N	409.436	5.633	30	20	HKED	
CCCCOc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)c(C)c1	608805589	OVFGVKWTBIYWSK-UHFFFAOYSA-N	404.466	5.470	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	608850995	IFSIUJSUZDESGS-YWZLYKJASA-N	402.416	5.098	30	20	HKED	
N#Cc1ccccc1NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1	609092545	DOKFOPNYCBHEMU-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
CN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1F	609217781	SENMRVGFNAHSLL-UHFFFAOYSA-N	419.403	5.045	30	20	HKED	
C[C@@H](c1ccccc1)n1c(S[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1	609813721	IRXRQFYHEFUVAN-RBUKOAKNSA-N	410.546	6.279	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(-c4ccoc4)n3)c2)c1	609968361	YTPXDYUTBYDIIJ-UHFFFAOYSA-N	415.474	5.035	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	617676401	BOBOGPOQSIPNRE-BUXKBTBVSA-N	414.292	5.094	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)cc1Cl	619826950	PAULJYZKCUIBMV-UHFFFAOYSA-N	403.860	5.144	30	20	HKED	
C[C@@H](CC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)c1cccc(C(F)(F)F)c1	622566524	PYIKPEZSGIFYRT-DYZYQPBXSA-N	407.329	5.600	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c(C)c2c1	642068075	SBCGUQATQPHZHQ-UHFFFAOYSA-N	402.494	5.437	30	20	HKED	
N#C[C@H](C(=O)c1coc(C2CC2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	670115839	RUZVEKKQHMSKGT-GFCCVEGCSA-N	404.278	5.472	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)oc12	682128167	YGCAESXGUFECPJ-INIZCTEOSA-N	405.251	5.542	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684121458	SAWHKPZEADBRIO-ITGUQSILSA-N	403.313	5.192	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)cc1Cl	726627694	SWIXKCOUNWIBRL-CHHVJCJISA-N	422.865	5.219	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1ccc(Cl)c2ccccc12	726755735	VOILLQPKNPOGHK-UHFFFAOYSA-N	415.880	5.007	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccccn3)n2)CCc2nc(-c3ccc(F)cc3)sc21	727685146	BNVZAEYKAQYXMD-SDNWHVSQSA-N	419.506	5.680	30	20	HKED	
N#CCOc1cccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)c1	727744182	MAJFWELUCAYCDB-SDXDJHTJSA-N	408.486	5.664	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	729070762	XUEAXCBAHKJTIU-KBXCAEBGSA-N	402.466	5.233	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730421970	OQVQQEUWDNOEGM-SKDRFNHKSA-N	409.269	5.386	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)n1	730684730	CPWVEXHFZPENJE-BEFAXECRSA-N	400.862	5.241	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc2ccccc12	731063776	RXCVNJFSYDLKJJ-INIZCTEOSA-N	404.491	5.030	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCc1ccccc1F	731754509	MWGAJUXMHCSUNP-UHFFFAOYSA-N	417.484	5.291	30	20	HKED	
N#C[C@H](C(=O)[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2)c1nc2ccccc2o1	735770556	SIBYMCXMXQEEMY-RVQUTYLMSA-N	404.897	5.707	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Cc3cc(Cl)ccc3C2=O)cs1	742436306	AGNXMEVAPVETLV-GXDHUFHOSA-N	412.873	5.443	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3ccc(F)cc3C2=O)cs1	749748832	QANRWDZJRGRJAQ-NVMNQCDNSA-N	414.845	5.236	30	20	HKED	
COc1ccc(OCc2nc(C=NOc3ccccc3C(F)(F)F)cs2)cc1	754724858	PCPNQUUHWRMSJW-UHFFFAOYSA-N	408.401	5.162	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21	758243623	SUDZRCBOJYMJDC-LPHOPBHVSA-N	407.539	5.506	30	20	HKED	
CC(C)N(Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1)C[C@@H]1CCCCO1	761223914	VBUZWMRXLFJEHA-RLWLMLJZSA-N	421.585	5.369	30	20	HKED	
N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(Cl)c([N+](=O)[O-])c1	764300801	DNMUTOLDXGFHAZ-CHWSQXEVSA-N	410.644	5.169	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@H](c2ccccc2)c2nccs2)cc1OC	770184716	GFRYHSJKLLWXGE-RSNBEDGSSA-N	407.491	5.063	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](c3ccc4ccccc4c3)C2=O)cc1	771908251	XBCBYBGYRJDDOB-DQEYMECFSA-N	417.468	5.293	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1	772034547	VPZNMTJLACUBCH-JBACZVJFSA-N	415.578	5.029	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3ccccc3)nc2C)ccc1OC	772979853	OBAXOZYXTBHPEH-JXFKEZNVSA-N	421.566	5.659	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2ccc(Br)s2)o1)c1ccccc1	775465684	YWGJTXQYLMBWNL-AWEZNQCLSA-N	404.333	5.358	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnc(Br)cc1C	775666154	GYSZPHPTGLXHRX-UHFFFAOYSA-N	400.729	5.088	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3ccc(F)cc3C2=O)cs1	776194166	ZCDBHUXLDCQDKM-BOPFTXTBSA-N	406.482	5.488	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(F)cc1Br)c1nc2cc(Cl)ccc2s1	777296806	MMSHEQISIWYVMY-GFCCVEGCSA-N	423.694	5.270	30	20	HKED	
Cc1ncsc1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	777298134	WEUCYXYOPIPIPY-MUBLQREKSA-N	420.346	5.772	30	20	HKED	
C#CCCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12	779729484	BEFXNUINLQXFLG-QHCPKHFHSA-N	401.554	5.066	30	20	HKED	
Cc1ccncc1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	784834168	XSOPNOBPWKNSKL-OUGHUQCRSA-N	414.317	5.710	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	788351431	YWYULXUMWPBAOJ-IHPCNDPISA-N	418.518	5.116	30	20	HKED	
N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nccc2ccccc12	792096718	QCEHCNDXIIABNO-IBGZPJMESA-N	416.868	5.137	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(F)c2ccccc12	796366628	NMJBXYNUDWWPRK-OAHLLOKOSA-N	422.481	5.169	30	20	HKED	
Cc1ccc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)csc2c1	796630371	CSCCYESRXJCUEW-OAHLLOKOSA-N	416.474	5.486	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc2cc(F)ccc2s1	796694938	ZCMWAPKTBADAHU-ZNMIVQPWSA-N	420.387	5.314	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCO2	796760633	DHYFJGAAOMRLLD-MRXNPFEDSA-N	424.909	5.346	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1	796764097	OITCFFCZFFEDOD-MRXNPFEDSA-N	405.479	5.181	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2cc(Br)ccc2F)s1	797569363	ATYNDNYAMVNSGI-CYBMUJFWSA-N	409.324	5.151	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CN(c1ccc(C(C)C)cc1)C2	798019210	RHTVONUCOWNHRM-NBGIEHNGSA-N	419.569	5.433	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(c3cc(F)cc(Br)c3)CC2)s1	802833383	JJKYQQFQYAAORZ-CQSZACIVSA-N	421.335	5.250	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	804456281	WEXCWFNRXQTELB-QHCPKHFHSA-N	410.542	5.215	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)c1ccncc1	806819592	PWWCWHCYZWWOFK-HXUWFJFHSA-N	403.448	5.339	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1	809090735	SGIUJAJTOVJAHU-OKILXGFUSA-N	422.312	5.239	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	809887881	ONCICWVCBUVADM-MRXNPFEDSA-N	422.945	5.131	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	914513347	XNHCTIYJNIXGPF-RVEPMOMFSA-N	415.375	5.031	30	20	HKED	
CC(C)OCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2ccccc12	915180222	LYTNLDRLPDTDIP-HSZRJFAPSA-N	424.500	6.266	30	20	HKED	
O=S(=O)(Nc1ccccc1)c1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1	915270910	FJHBLMYZCAMWEG-UHFFFAOYSA-N	421.305	5.250	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)/C=C\c3ccc4ccccc4n3)c2)c1	915283872	IJCHZEIGONTONF-YPKPFQOOSA-N	405.457	5.337	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(Cl)cccc3Cl)n2)cc1	916627395	REPFHGCJGMGDRY-HNNXBMFYSA-N	401.318	5.844	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccccc2)cc1	916883554	MHVVTXDUSWWZFX-HXUWFJFHSA-N	422.456	5.629	30	20	HKED	
CC(C)(C)[C@@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2C1	916908135	YRGFLUGRHSPWDB-HUUCEWRRSA-N	414.958	5.514	30	20	HKED	
CCCOc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1	916908342	MDSDRBAGDHZOJX-NRFANRHFSA-N	414.461	5.229	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1	916924963	CYLCAZCLAUIOQY-INIZCTEOSA-N	424.909	5.428	30	20	HKED	
CC(C)CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916927892	DQMHUACHRGHGKX-KRWDZBQOSA-N	419.308	5.379	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)sc21	917040246	IVXOBBMGROHUAH-AWEZNQCLSA-N	420.444	5.628	30	20	HKED	
CCn1c(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nc2ccccc21	919901274	ZNJHLZPINIEGQR-UHFFFAOYSA-N	411.465	5.042	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4ccccc4c3Cl)n2)cc1	920139131	NPWNELKXPMREPH-HNNXBMFYSA-N	424.934	6.177	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3cccc(Cl)c3)n2)cc1	920139827	ZAJJIVLKEPIBRH-ACJLOTCBSA-N	412.898	5.116	30	20	HKED	
CCCCC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1	1791314289	NBDVZHPHERECKE-OJWZXOLNSA-N	423.557	5.049	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)CCCCC)CC1	1832033785	CIWDNGJNAKBLSO-JTHBVZDNSA-N	402.623	5.016	30	20	HKED	
CCN(Cc1csc(-c2ccc(C(=O)OC)cc2)n1)[C@H](C)c1ccc(C#N)cc1	65234943	XWOZTPGFZNOJTN-MRXNPFEDSA-N	405.523	5.051	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1	65924871	MLGCQQHWZLMVOR-FDRBHKFBSA-N	402.563	5.501	30	20	HKED	
C#CCOc1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1	78667824	CIFNRXCKYSZRPA-UHFFFAOYSA-N	416.424	5.022	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)[nH]c2c1	97547912	QTXLBQZVUIDZIJ-DEOSSOPVSA-N	422.488	5.513	30	20	HKED	
Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	107539824	LEVJHJVIGRDHSL-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1	303271975	HPVNRRLZLJONBV-UHFFFAOYSA-N	400.594	5.813	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Br)cc1F	303316484	GWRGTONXBKVYNE-LBPRGKRZSA-N	422.323	5.033	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H](c1ccncc1)c1ccc(Cl)cc1	426122660	JFDAHJSWSYRCFH-HXUWFJFHSA-N	411.292	5.513	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1	433796323	LEXODZZBTIUBFK-LBPRGKRZSA-N	416.428	5.583	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1	435098230	XDFTYGKOMHDUPJ-VGOFRKELSA-N	406.530	5.038	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1	436340728	RQDDHHCDMXIQBE-XAYKYTGQSA-N	403.910	5.551	30	20	HKED	
CCN(C(=O)c1cc(C#N)cs1)[C@H]1CCSc2ccc(Br)cc21	437556588	JGBDOTFMXRWRFD-AWEZNQCLSA-N	407.358	5.081	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccc([N+](=O)[O-])c1	438650336	QSNWZEKAQBYYLW-AWEZNQCLSA-N	420.400	5.281	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cnn1-c1cccc(C#N)c1	439674762	YFCIABRMKXRKET-HSZRJFAPSA-N	413.525	5.374	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1cccc(F)c1	440363426	DDAHRWLWVCCXOA-DOTOQJQBSA-N	401.507	5.199	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1	440936798	NBIJGGAOJCSOFX-ZYLNGJIFSA-N	417.509	5.082	30	20	HKED	
COc1ccc(-n2c(S[C@@H](C)c3cccc(C#N)c3)nnc2-c2ccncc2)cc1	442916101	VGKGZIRJTOZRGO-INIZCTEOSA-N	413.506	5.063	30	20	HKED	
C[C@@H](SCc1noc(Cc2ccc(Br)cc2)n1)c1cccc(C#N)c1	443135563	AXNTVWPEEFEHLO-CYBMUJFWSA-N	414.328	5.289	30	20	HKED	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(F)cc(F)cc1F	443919777	NVSKBTIHCAMULE-UHFFFAOYSA-N	417.227	5.159	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)on2)c1	448200777	YMJBKNMQJKWQQE-UHFFFAOYSA-N	422.469	5.164	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(N(CCC#N)CC2CC2)n1Cc1cccs1	461477946	GBTPEATZJLUOLU-OAQYLSRUSA-N	405.571	5.060	30	20	HKED	
CCCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F	463932532	LNIUYAROMUKYMG-BXKMTCNYSA-N	419.475	5.363	30	20	HKED	
CCc1nnc([C@@H](C)SCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)o1	469077005	VCINBDWPRZYVJK-OAHLLOKOSA-N	409.511	5.086	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ncccc1C(F)(F)F	470219509	SYJFBAIBKKIEKU-UHFFFAOYSA-N	414.252	5.015	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccs4)C3)cc2)cc1	473782570	BVBVVSUTASXLOY-HXUWFJFHSA-N	405.479	5.017	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc(Cl)c1OCC(C)C	474437542	GUMFMQCIRFUWHJ-AWEZNQCLSA-N	406.935	5.453	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1noc(C)n1)c1ccccc1F	475547439	LJJNGVWDEOLWGL-NRFANRHFSA-N	408.477	5.280	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(Oc2nncc3ccccc23)cc1)c1ccccc1	476544685	IVQSXXXMKQLRAT-IBGZPJMESA-N	408.461	5.448	30	20	HKED	
N#CCSc1cccc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1	478412847	HBXLVDBCCWOKPN-UHFFFAOYSA-N	402.441	5.251	30	20	HKED	
C=CCn1c(SCc2nc(C(C)(C)C)cs2)nnc1-c1cccc(OC)c1	481392354	LNBWBBQMZCMKGH-UHFFFAOYSA-N	400.573	5.186	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)N(CCC#N)CC(F)(F)F)c2)c1	482642356	NPHVATBIZRCEPN-UHFFFAOYSA-N	406.473	5.514	30	20	HKED	
COCC[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(C)o1	482807916	XSRGLTGNSWSDBG-NRFANRHFSA-N	420.534	5.260	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)n1	485118353	DQBNBXLKINTFLS-UHFFFAOYSA-N	407.514	5.209	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	485735584	YAUOMZQDWUOTLH-UHFFFAOYSA-N	401.491	5.584	30	20	HKED	
COc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1-c1ccccn1	486605545	XQTMQOWDJQYYOQ-UHFFFAOYSA-N	415.537	5.082	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1nnc(-c2c(Cl)cccc2Cl)o1	489742601	TUVKMCCCACIFIS-LBPRGKRZSA-N	419.337	6.050	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)cc1	490598997	VDTZQKHSMODAHU-UHFFFAOYSA-N	410.449	5.427	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](C(F)(F)F)c4ccccc43)cc2)nc1	492024890	YKTATSOMYVIWLX-LJQANCHMSA-N	423.394	5.442	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	494577555	DQJROBQURBPQHD-JOYOIKCWSA-N	422.316	5.312	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)SCc1csc(-c2ccc(OCC)cc2)n1	497849359	UXHJPHHKHBXAKP-MRXNPFEDSA-N	404.601	5.255	30	20	HKED	
CC(C)CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(C#N)cc1	499327200	JPVGZMHAAOURMR-UHFFFAOYSA-N	407.901	5.488	30	20	HKED	
CCOc1ccc(C#N)cc1NCc1cccc(NC(=O)c2ccccc2Cl)c1	500995574	ISEKHVFFTZAGHY-UHFFFAOYSA-N	405.885	5.475	30	20	HKED	
C=CCN(CC=C)C(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12	501552660	QHCZIWXQSHGGBT-AWEZNQCLSA-N	413.543	5.179	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(COCc2ccco2)c1	503215038	FLTDILZVGKXJIN-QGZVFWFLSA-N	421.522	6.035	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)ccc1NC(=O)CC(C)C	505500821	LNVYZUSVKDCPAG-GOSISDBHSA-N	418.324	5.281	30	20	HKED	
CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cc(C#N)cs1	506805658	NTSGRSGVWPKQIA-UHFFFAOYSA-N	415.868	5.141	30	20	HKED	
CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N(CC)CCC#N	506937927	DPTNROLIEKTMTO-UHFFFAOYSA-N	405.907	5.013	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCCCC4)cc(C)nc21	508957704	DFVPEUHZHDXTRR-HNNXBMFYSA-N	421.570	5.555	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OC[C@@H]3CCCO3)n2)cc1	509535848	GSMSRLIUZLMVTQ-ICSRJNTNSA-N	418.518	5.166	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1	512143548	HBWHPNUEJPEUTP-UHFFFAOYSA-N	405.813	5.189	30	20	HKED	
COc1ccc(N(C(=O)c2cccc(COc3ccccc3C#N)c2)C(C)C)cc1F	513237623	CIDDRVLCBQGHMI-UHFFFAOYSA-N	418.468	5.340	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(C#N)c(Cl)c1	513936244	REZQOXNAPPZNNQ-UHFFFAOYSA-N	422.916	5.743	30	20	HKED	
N#Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(F)c1	514486559	IRPUFPSIBQNWCO-UHFFFAOYSA-N	410.257	5.258	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	518662498	GQOVVIBUCJKSNW-GJZGRUSLSA-N	406.473	6.089	30	20	HKED	
C=C(C)COc1cc(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)ccc1OC	520221196	WYVXMKVVPBUKAS-HXUWFJFHSA-N	403.469	5.419	30	20	HKED	
C[C@@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	520271422	LRZOJPGEBCYLGH-YVEFUNNKSA-N	414.349	5.599	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	520272210	ZCOUORNNRFHQPT-OAHLLOKOSA-N	423.925	5.002	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(NCCc3ccccc3)cc2)cc1	524650789	XEQIBEXYWUJHHP-UHFFFAOYSA-N	401.535	5.085	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	532760190	FXHQAIWGDVNQGA-KSFYIVLOSA-N	415.990	5.660	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C1CC1	535533987	PXSHEDDOXWPRKL-MRXNPFEDSA-N	400.482	5.648	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OC(F)(F)F)n2)cc1	540376215	JYTOQWQCNFMGAT-HNNXBMFYSA-N	418.396	5.207	30	20	HKED	
C[C@@H](NCc1coc(-c2c(F)cccc2F)n1)c1ccc(-c2cccc(C#N)c2)cc1	541085775	KHYDYCKFOCKKMP-MRXNPFEDSA-N	415.443	6.009	30	20	HKED	
Cc1nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cs1	541193332	GYZHQAWTRLQZDG-LBPRGKRZSA-N	422.316	5.882	30	20	HKED	
N#Cc1ccc(CN(Cc2nc(O)c3c(-c4ccccc4)csc3n2)C2CC2)cc1	541387866	TWOFDWDNBJSPPM-UHFFFAOYSA-N	412.518	5.100	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(C(F)F)c3Cl)c2)c1	541647020	AOOORYCRZPBEQW-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N[C@@H](c1cccc(F)c1F)C(F)(F)F	542204663	UYEVJSNQVLWCOQ-LRDDRELGSA-N	411.292	5.421	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3sc(C)nc3C(F)(F)F)o2)cc1	543693245	QUQULALUEMPXNA-UHFFFAOYSA-N	413.446	5.377	30	20	HKED	
C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CC#N)CC1	554621383	CCEIKHMCIIJVLA-KRWDZBQOSA-N	413.953	5.004	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(Oc2ccc(Cl)cc2)CC1	555817219	CXEAJOSOYOKHNV-UHFFFAOYSA-N	419.868	5.258	30	20	HKED	
C=C(C)CCc1noc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1	571481999	NVNLZYYZQYVRRV-UHFFFAOYSA-N	410.314	5.128	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC2(CCCC2)CC1	576386634	IISAZDQGPUUBAD-UHFFFAOYSA-N	403.526	5.634	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c1	589739965	FTZWBXCRWBFDCX-UHFFFAOYSA-N	407.445	5.290	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C2CC2)o1	603877459	JZOYVUFQJNWEKF-IIBYNOLFSA-N	416.477	5.251	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccccn3)cc2F)c1	609123705	GHLNXESIQMHGHM-QFIPXVFZSA-N	416.456	5.040	30	20	HKED	
N#C[C@H](NC(=O)c1cc2sccc2s1)c1ccc(OCc2ccccc2)cc1	609174744	VNWJTJLKHXLTTK-SFHVURJKSA-N	404.516	5.536	30	20	HKED	
CCCN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cc(Cl)ccc1C#N	609286305	STZRFWAQRGUXMH-UHFFFAOYSA-N	417.896	5.521	30	20	HKED	
COc1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	609377776	FQEFJYBCMFUVEN-CYBMUJFWSA-N	424.444	5.126	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)s1	609414908	CIKRVTDQXMCBEP-QGZVFWFLSA-N	409.580	5.401	30	20	HKED	
COCc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)sc2cccc(F)c12	609427505	GCHIDTZFNHCLFV-CYBMUJFWSA-N	414.527	5.833	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3cnco3)cc2)c1	609723588	JLKGBUSZJQLIJO-UHFFFAOYSA-N	415.836	5.911	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	609793022	HDBSVKXAMSJKRY-GFCCVEGCSA-N	405.285	5.012	30	20	HKED	
COc1ccc(Br)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	610171939	YHCFASCSHHRADM-UHFFFAOYSA-N	413.296	5.310	30	20	HKED	
C[C@@H](NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1cccc(C#N)c1	610360758	FPFSHVIZKAEVKS-QRQCRPRQSA-N	408.473	5.547	30	20	HKED	
CC(C)(C)c1ccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)C(F)(F)F)cc1	610390291	YBWVLCPVDQHIOK-IBGZPJMESA-N	414.431	5.299	30	20	HKED	
N#Cc1cccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1	610414433	KFGCTEIYTDROGJ-UHFFFAOYSA-N	424.304	5.034	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl	610792651	TWGMIDLKCZFKEW-KBXCAEBGSA-N	403.935	5.101	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1	611844427	UJTLUUCSXLDCTH-DLBZAZTESA-N	409.493	5.223	30	20	HKED	
C=CCn1c(S[C@@H](C)c2c(F)cccc2F)nnc1[C@@H]1COc2ccccc2O1	613908504	UXELMQZMPGVHJB-UGSOOPFHSA-N	415.465	5.108	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1	675130277	LLPNYIOKGFBZGL-QGZVFWFLSA-N	423.419	5.867	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	679982028	CQHJIYSMZLSVST-QQFIATSDSA-N	413.324	5.335	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	682988411	FKPFCXWNWCVMRX-GXFFZTMASA-N	406.433	5.281	30	20	HKED	
Oc1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C(F)(F)F)c1	685612680	ROSYZWWAVQMSKN-GDNZZTSVSA-N	409.292	5.410	30	20	HKED	
CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1-c1ccccc1	725804679	AZSRUZNXEXMXSZ-HSZRJFAPSA-N	418.500	5.023	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1	726471882	UYNQCGCKKXADRB-INIZCTEOSA-N	417.509	5.107	30	20	HKED	
N#CCCCOc1cccc(/C=C2/CCOc3ccc(Br)cc3C2=O)c1	726744139	UGXTVTAENPUHMS-VBKFSLOCSA-N	412.283	5.180	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3ccc(OCCC(=O)O)cc3)s2)cc1	727654476	NAKBMZFWTDOBSO-KPKJPENVSA-N	407.491	5.177	30	20	HKED	
COc1ccccc1C[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	730692030	RKLPKDUQRVYBIA-OXQOHEQNSA-N	415.518	5.136	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c(C#N)c2n1CCC2	731937597	JZALPGZGJZIJFB-CLFYSBASSA-N	403.463	5.147	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2ccccc2)ccc1OC	733232413	SCGDARYMQUWDLM-SFHVURJKSA-N	406.507	5.035	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2Oc2ccccc2)c1	733841940	MVHWGLSDHPHDPT-LJQANCHMSA-N	401.466	5.482	30	20	HKED	
Cc1c(C#N)c(NC(=O)COC(=O)CC/C=C\c2ccccc2)n(C2CCCC2)c1C	738675586	FKUCLTQSOBEKJI-SDQBBNPISA-N	419.525	5.067	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)n1	739511336	DVDABVNXDLKIFE-QHCPKHFHSA-N	409.514	6.026	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1	740783450	NRUJXTZHPRZHJK-UHFFFAOYSA-N	416.905	5.894	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1	741563638	HQDZEWYBKNGTAS-NVXWUHKLSA-N	404.432	5.196	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C(/C)c2ccccc2C(F)(F)F)c1	741933130	AZJHMFQBXNXJGT-HKBKRHGFSA-N	402.416	5.106	30	20	HKED	
C[C@H](Nc1cccc(COc2ccccc2)c1)C(=O)N(CCC#N)c1ccc(F)cc1	743473858	YSOYVRKUMFMQKT-IBGZPJMESA-N	417.484	5.152	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Cl)c1	744024978	FSHWIANURSPVOC-BDJLRTHQSA-N	408.857	5.106	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	744030121	ZSTJOJZSKVZUKY-LFDGNKEFSA-N	422.406	5.609	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Br)c(Cl)c2)c1	746161124	CSSWNRHIKHQJQH-AWEZNQCLSA-N	422.710	5.105	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	746346783	UYMASRYLSRMCBO-TWGQIWQCSA-N	413.861	5.799	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCCSc2ccc(Br)cc2)n1	747198315	FOYKKPKIXQTMOC-HNNXBMFYSA-N	423.401	5.778	30	20	HKED	
COCCOc1ccc(Cl)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	748698144	CEULTOXSLITYIO-JOCHJYFZSA-N	420.896	5.273	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC	749969432	GOBOTRMEBHSMND-MQMKENTISA-N	424.547	5.150	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1csc2ccccc12	754737181	JRVRVKASDOZGCG-JKSUJKDBSA-N	409.580	5.442	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC1CCC(C#N)CC1	755958658	YIMXIRPVNZRQPZ-UHFFFAOYSA-N	418.493	5.510	30	20	HKED	
C#Cc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1	758531576	XCACZKDHMAIHLS-UHFFFAOYSA-N	409.411	5.316	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccncc1	759216831	PPOSFPXMCQGPNZ-BLLLJJGKSA-N	416.333	5.882	30	20	HKED	
CC(C)N(Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1)C[C@H]1CCCCO1	761223911	VBUZWMRXLFJEHA-HFZDXXHNSA-N	421.585	5.369	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCCc2sccc21)c1nc2cc(C(F)(F)F)ccc2s1	771578961	SNQVASZSNUMMRO-CHWSQXEVSA-N	406.454	5.673	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1	774037899	UIGFTISMDDFCCR-HNNXBMFYSA-N	412.946	5.308	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)N[C@H](C)c2ccc(OCC#N)cc2)cc1	776158427	FRNFIBDEOYKRCY-CJAUYULYSA-N	404.485	5.371	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)CCCCC(=O)c3ccc(F)cc3)c2)s1	777803109	GVQLIZVPWFCWSL-UHFFFAOYSA-N	420.509	5.485	30	20	HKED	
C[C@H](N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccc(OCC#N)cc1	779081874	DRSBZIGZMNVLCA-QKKBWIMNSA-N	417.322	5.683	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccnc1SCc1ccc(F)cc1	780146312	AYFNOWVATHBVRO-HNNXBMFYSA-N	407.470	5.056	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	780676886	AAOZLTCMJADTPY-QZTJIDSGSA-N	415.493	5.536	30	20	HKED	
CC(C)N1C(=O)C[C@H](/N=C/c2cc(Cl)ccc2O)[C@H]1c1ccc(Cl)c(F)c1	782881688	XNVZVQZZTSDRDL-ONHOFPKNSA-N	409.288	5.008	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1	786529783	DCVUPUFAHIFKTI-IYCSXQJISA-N	421.711	5.075	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2c(cc1O)CCCC2	786958842	NPHLMRMLUCNPFD-QGZVFWFLSA-N	403.526	5.027	30	20	HKED	
COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1NC(=O)OC(C)(C)C	793031696	GMVHMZFRWRJYPZ-UHFFFAOYSA-N	409.486	5.096	30	20	HKED	
N#CC[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	796636112	WDEFZDWPMBZTNO-IEBWSBKVSA-N	405.910	5.727	30	20	HKED	
COc1ccc(-c2nc(/C=C/C(=O)c3ccc(OC(F)F)c(OC)c3)cs2)cc1	797122417	OFGGQLVHNUMYEO-RMKNXTFCSA-N	417.433	5.325	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(C(F)(F)F)cc1	798817376	YFWVMYYSZITUMO-RISCZKNCSA-N	407.342	5.430	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(F)c(Br)cc1Cl	799233264	HXMDPIYMRACYJW-SECBINFHSA-N	412.646	5.176	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(SC(C)(C)C)cc1	806249075	GOPVGWPRSCGLCI-UHFFFAOYSA-N	400.592	5.965	30	20	HKED	
O=C(Nc1cccc(/C=C2/Cc3c(O)cccc3C2=O)c1)c1ccc(Cl)cc1Cl	810250906	SGZYLJQRJBYNTK-ZROIWOOFSA-N	424.283	5.774	30	20	HKED	
N#CCCCn1cc(C(=O)OCC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21	812595091	YGXUMFIOTANCMV-UHFFFAOYSA-N	414.383	5.004	30	20	HKED	
CCCN(C(=O)c1ccccc1NC(=O)c1sc2ccc(C#N)cc2c1C)C(C)C	814121252	RVARJXPBJJKZBN-UHFFFAOYSA-N	419.550	5.594	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCCCC1	815889100	KHHGCRPGZAOZSZ-DEOSSOPVSA-N	417.553	5.242	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Cc3cnc4ccccc4n3)n2)cc1	815911247	WGQQMQHDRQLLHK-QFBILLFUSA-N	412.518	5.117	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2ccncc2)nc2ccccc12	896827494	MTTKQCJMYJRPPL-UHFFFAOYSA-N	415.836	5.050	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)/C=C/c1cnc2ccccc2n1	914520894	QMCPMVPEZMUARS-ZRDIBKRKSA-N	422.463	5.196	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2ccc(-c3ccc(Br)cc3)o2)cc1	916152321	YOOSBBAURKTIJQ-LUAWRHEFSA-N	408.251	5.508	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1	916449649	JKWMYQKXAZHJMN-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
COc1ccc2cc(-c3cc(C(=O)N(C)C[C@H](C)C#N)c4ccccc4n3)ccc2c1	917139155	KMCYULTZEJOEDZ-QGZVFWFLSA-N	409.489	5.295	30	20	HKED	
COc1ccc(OC)c(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)c1	918713476	LWBYGVYZVPELMZ-UITAMQMPSA-N	415.898	5.289	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)COCc1ccccc1	919773813	ZLTIBDNVHSOJJZ-CPJSRVTESA-N	413.521	5.316	30	20	HKED	
Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920807189	ZMQVECPFAMDMPA-OAHLLOKOSA-N	412.461	5.432	30	20	HKED	
CC1(C)OB(c2cccc(P(=O)(C3CCCCC3)C3CCCCC3)c2)OC1(C)C	1772768934	ODGSEMYNKZLONM-UHFFFAOYSA-N	416.351	5.640	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1	1789015301	OHHOEZHVAYZCLK-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C[C@@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1	1790424857	JPJAILKLQGOZFE-CMJOXMDJSA-N	421.928	5.005	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccccc3N3CCCCC3)cc2)CCC1	1790785563	JNYYTLWNBQQYNG-UHFFFAOYSA-N	417.553	5.001	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)CC1	1826316735	LHUVZFPMYNUOKH-ZTCOLXNVSA-N	410.602	5.012	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccccc2CC)cc1	22696287	RABZPXKSYYNOMP-UHFFFAOYSA-O	423.533	5.125	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3cccs3)c2)cc1	47570345	ROHTVVRJWWSINC-QFIPXVFZSA-N	417.534	5.762	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)c2)c1	55772200	QMGMTIYNLBAXDI-MOPGFXCFSA-N	415.415	5.118	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	64714863	GBHIRHJUKUAJMP-AWEZNQCLSA-N	400.475	5.609	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sccc2OC(F)F)cc1	78502701	WVPSQODCFOUIDF-UHFFFAOYSA-N	416.405	5.274	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C#N)cc3)c3ccccc3C2=O)c1	110971990	HPYIAWPMCGPFSE-XHFXOGKZSA-N	408.457	5.014	30	20	HKED	
CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccccc1-c1ccccc1C#N	116708945	CILYMCAPBVLPOY-UHFFFAOYSA-N	424.456	5.078	30	20	HKED	
Cc1ccc(SCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	117562107	GNHNTPPSLKGVQF-UHFFFAOYSA-N	416.546	5.761	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c(F)c2)cc1	303288743	LZLQGTNBXKDMNX-INIZCTEOSA-N	420.509	6.005	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	303665314	XLIVNOSFEAIMTF-UHFFFAOYSA-N	415.459	5.507	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Cl)cs1)c1nc(-c2ccc(Cl)cc2)cs1	303931726	XIPUTFWEHXEIPP-HNNXBMFYSA-N	407.347	5.987	30	20	HKED	
O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)[C@@H]1CCCC(F)(F)C1	409968186	XJLVCZZDEGDCFT-PWSUYJOCSA-N	405.285	5.130	30	20	HKED	
CC(C)N(CCCC1(C#N)CCOCC1)Cc1ccc(-c2cccc(F)c2)s1	410341816	CJFZSSHABFCPIT-UHFFFAOYSA-N	400.563	5.865	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C#N)cc2Cl)c2ccc(Br)cc2n1	430349051	CTNLPEUJOMIUNW-UHFFFAOYSA-N	400.663	5.083	30	20	HKED	
N#Cc1ccc(NC(=O)c2csc(-c3ccc(Br)s3)n2)c(Cl)c1	430349983	CEPPYNSDKBIGQV-UHFFFAOYSA-N	424.732	5.411	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	430907352	DBMLGHFDPUQEPP-QFIPXVFZSA-N	421.953	5.602	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)c(C)c2c1	431927329	QUXFTVGAWHRVEW-UTKZUKDTSA-N	405.498	5.545	30	20	HKED	
CN(C)c1ccc(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c(C(F)(F)F)c1	433218968	IAGVOOADZOTAOB-HNNXBMFYSA-N	423.332	5.178	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N[C@H](c1cc(F)ccc1F)C(F)F	433555683	QPHXGFRHGRPTPJ-OAHLLOKOSA-N	408.317	5.588	30	20	HKED	
N#CCCn1cc(CN[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c(-c2ccccc2)n1	435727860	GPKJGQVAWOSBLF-XYWHTSSQSA-N	424.470	5.518	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)cs1	438837001	HTJIXYZTMOFIHS-NRFANRHFSA-N	404.539	5.005	30	20	HKED	
CCc1cccc(CC)c1NC(=O)CSCc1ccc(C#N)cc1OC(F)F	439544295	SRIBEFWXGUZBBG-UHFFFAOYSA-N	404.482	5.156	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnc(-c2ccccc2)o1	439677261	XEZHGVMMDZHZMC-HNNXBMFYSA-N	400.413	5.713	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	439970296	VTOAXIRXPRAWIE-OWUFIANHSA-N	404.476	5.167	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1cccnc1)C1CC1)c1ccc(C(F)(F)F)cc1	442280014	VXDJELUIUKIOFQ-HXUWFJFHSA-N	403.448	5.482	30	20	HKED	
CC(C)CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCCC1	444397016	LQFVNYOUGOLFJH-UHFFFAOYSA-N	405.542	5.764	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1	448181802	WJMGIFDXUJIQCE-UHFFFAOYSA-N	402.972	5.087	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2Cc2cccs2)cc1	461502960	NXSNUFOUWPRDOO-JOCHJYFZSA-N	411.534	5.268	30	20	HKED	
CCN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc(C#N)cc1	461531736	FIDIBMQTVNPFNH-UHFFFAOYSA-N	416.868	5.324	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(Cl)c3ccccc23)cc1OCCCC#N	462643439	QHLOAMHZITUFFN-KRWDZBQOSA-N	408.929	6.035	30	20	HKED	
C=CCn1c(SCCOc2ccc(SC)cc2)nnc1-c1ccccc1OC	463048158	KVFUGTUFYCBQPY-UHFFFAOYSA-N	413.568	5.033	30	20	HKED	
N#Cc1c(NC(=O)c2sc3ccccc3c2Br)sc2c1CCCC2	463070095	NAPXHCBNDLKCAE-UHFFFAOYSA-N	417.353	5.728	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2Cl)cc1	464922270	JBWSLHNFAVOCSJ-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	468005601	PYXCVVWYYXTAQU-HLUHBDAQSA-N	422.291	5.291	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(-c2ccncc2)c1	469243899	QFIWBCVDYATGTA-LJQANCHMSA-N	410.521	5.505	30	20	HKED	
C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cn(CCCC#N)c2ccccc12	469806114	CITWVTXTKQJISH-SBUREZEXSA-N	421.928	5.201	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@@H]1c1ccccc1	472747320	GSOIBOIOHGGQNL-SBHAEUEKSA-N	407.583	6.128	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1	474430922	MENWUHQGCWJDCS-UHFFFAOYSA-N	401.491	5.287	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1Cc2ccccc2[C@H](C(=O)OCC)C1	475565584	XDUXHWUFTNYWLP-JOCHJYFZSA-N	406.526	5.233	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccc4nc(-c5ccccc5)oc4c3)CC2)cc1	475662032	NSEVNFQRMOVORY-UHFFFAOYSA-N	423.472	5.050	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nc2cc(F)c(Br)cc2s1)c1ccccc1	477023821	XLZNICXJRNTCRK-GFCCVEGCSA-N	418.291	5.224	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482407962	BGWMEHIVBAIBTI-LDYMZIIASA-N	410.280	5.339	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(Br)cc1Br)c1ccccc1	483039462	KAGGSKWLHUHSSE-ZDUSSCGKSA-N	422.120	5.238	30	20	HKED	
COc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c(C(F)(F)F)c1	484160960	IMCDSHJBILXPDN-CQSZACIVSA-N	410.289	5.278	30	20	HKED	
CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1-c1ccccc1	488227489	WIKXUSCINZSXCW-MRXNPFEDSA-N	400.507	5.405	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cc(Br)cc(C(=O)OC)c1Cl)c1ccccc1	489729710	VBQDNQSPPKVDFP-CQSZACIVSA-N	422.706	5.188	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)oc2c(C)cc(Br)cc12	494878606	OSRAAYXMYLKWBX-HNNXBMFYSA-N	422.282	5.189	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	496592568	MZMLWKXJTBTVOQ-AWEZNQCLSA-N	421.428	5.542	30	20	HKED	
CCN(CC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1)[C@@H](C)c1ccc(C#N)cc1	497618396	OAOLWODHYRQQPR-DFBJGRDBSA-N	417.578	5.217	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	499031681	LYKSLROQPPTXTJ-NRFANRHFSA-N	411.958	5.592	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)o1	500138143	OTJPSQZMGDLBDN-UHFFFAOYSA-N	416.452	5.342	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	500253921	ZHBOMWDSJAVMTE-NWDGAFQWSA-N	421.312	5.316	30	20	HKED	
C=CCC[C@H](NC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1	502011693	SATBLJLZNORMMY-KRWDZBQOSA-N	422.413	5.103	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cc(Cl)ccc3Cl)n2)cc1	505434558	YJTDHNDMHYPCSN-AWEZNQCLSA-N	418.305	5.371	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1	506675896	RCYUQMMNPBXDQY-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC	506699701	VBCHNKJNWHJWFS-QHCPKHFHSA-N	422.550	5.253	30	20	HKED	
CCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@@H](C)c1ccc(C#N)cc1	508941900	MSGBZQYNCZZYND-HLJPNSHOSA-N	423.601	5.113	30	20	HKED	
CN(Cc1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510007234	UCOVGTYQDGPSPV-HXUWFJFHSA-N	407.876	5.798	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)oc2ccccc12	512494599	QOQIVSHBBFWRMM-KRWDZBQOSA-N	418.474	5.201	30	20	HKED	
COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1	513718231	JRAATFSRLRFHCR-LBPRGKRZSA-N	417.918	5.011	30	20	HKED	
COc1ccc(C)cc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N	517461371	WMLZQMAWNSKNCW-MRXNPFEDSA-N	400.569	5.270	30	20	HKED	
N#C[C@H](NC(=O)CCCCc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1	518848874	GQLMZVBOFRIXTJ-KRWDZBQOSA-N	418.349	5.697	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	520939233	NXVHSUHKTXMBPC-NQIIRXRSSA-N	410.587	5.285	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1	521810460	PPRZTABPMVDTAG-GAJHUEQPSA-N	419.525	6.131	30	20	HKED	
C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	523423019	GPBAYDLOMLKYFU-MRXNPFEDSA-N	401.441	5.641	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CCC2	524152254	UNCZEFGRTBLMQZ-HXUWFJFHSA-N	418.522	5.657	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc(C#N)cc1	525557268	GQNUEBJQXCMMLW-CYBMUJFWSA-N	412.276	5.543	30	20	HKED	
COc1ccc(CN[C@H](c2ccc(F)cc2F)C(C)(C)C)cc1OCCCC#N	531817953	JJQDYBVMMPMLSC-JOCHJYFZSA-N	402.485	5.533	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1	532661811	USQVQRRDJMCSJS-HOTGVXAUSA-N	424.595	5.180	30	20	HKED	
C[S@](=O)Cc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)ccc1Cl	537569842	IPHOGBHPQLZESN-LJAQVGFWSA-N	424.909	5.135	30	20	HKED	
COc1ccc(C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2ccc(OC)cc2)cc1	538501733	BDXODPLYAUNNAU-NSYGIPOTSA-N	404.485	5.349	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(OCc2cccnc2)c1	538848710	JSJPCCQTEUJNKV-UHFFFAOYSA-N	412.942	5.133	30	20	HKED	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	541134268	OVLUXKNLEBCCDT-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
CS[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(C)(C)C	543292003	BTORVWCKEMIHTM-OAQYLSRUSA-N	411.571	5.231	30	20	HKED	
N#Cc1cc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)cnc1C(F)(F)F	550261297	JQJJTIZXIWEGKR-UHFFFAOYSA-N	407.395	5.055	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)Cc1cccc(OCc2cccc(C)c2)c1	552503540	CYFUYKCSYFQKTM-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)c1	557102258	CNRCUKDJWABJRU-ZEQRLZLVSA-N	402.538	5.120	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1	560142286	CQZBRWHPXAOHNN-UHFFFAOYSA-N	422.391	5.056	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1	567493565	CRODPLQHBMUCNS-JOCHJYFZSA-N	403.526	5.028	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	577028314	CUINFDNMQXYLLU-QHCPKHFHSA-N	400.482	5.751	30	20	HKED	
N#Cc1cccc(-c2cnc(CNc3cc(C(F)F)nc4ccc(Cl)cc34)[nH]2)c1	577167808	BYCAZQSYPZUGBB-UHFFFAOYSA-N	409.827	5.700	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCc3cccc(O)c32)cc1Cl	578828500	OKYSSBCYZSAFRS-VQTJNVASSA-N	402.881	5.370	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc2cc(F)ccc2s1	592974234	PSGUFSSVKRACCR-SFHVURJKSA-N	415.449	5.178	30	20	HKED	
Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)oc2ccc(Cl)cc12	602228695	GDDPWLIMHDDXGJ-UHFFFAOYSA-N	407.882	5.566	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1ccc2ccccc2n1	602493437	DGZHXWNWCHAOAY-LJQANCHMSA-N	400.384	5.795	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-n4ccnc4)cc3)cc2Cl)cc1	604193304	CZSQLOOVHQYFIW-UHFFFAOYSA-N	414.852	5.442	30	20	HKED	
C[C@H](Nc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)c1ccc(C#N)cc1	608885375	LMSYYZXYWKXOBJ-LBPRGKRZSA-N	409.280	5.143	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c4cccnc34)o2)cc1	609056846	ZQZFQJQYCJRCKP-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)NCCc3cccc(Cl)c3Cl)o2)cc1	609058028	SRLFJPQGAPKYAH-UHFFFAOYSA-N	415.276	5.010	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	609081385	ZVPGITVIVDFIBP-SNVBAGLBSA-N	414.239	5.691	30	20	HKED	
CCC(CC)[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1	609211496	KLHGYFOOLQKSRF-QFIPXVFZSA-N	411.571	5.350	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1	609433363	VZLZFOQKCTYYOQ-FTJBHMTQSA-N	416.496	5.286	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccco1)C(=O)CCCCOc1cccc(C#N)c1	609499100	PNOOIFCMBJWASF-UHFFFAOYSA-N	406.457	5.381	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)CSCc2ccc(C#N)cc2)cc1	610189170	ORJMZQVUMAVLST-GOSISDBHSA-N	416.546	5.344	30	20	HKED	
CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1CCCCO1	610718804	MFWQBERYHMQNAX-JOCHJYFZSA-N	408.567	5.176	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	611548449	XNHHHWJFDONWOU-QAPCUYQASA-N	402.416	5.348	30	20	HKED	
CC(C)(C#N)c1ccc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1	614164711	TZTDAHCUOWVITI-QFIPXVFZSA-N	407.945	5.089	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c(Cl)c1	618886934	XWDCXDJGQKHIBD-UHFFFAOYSA-N	409.179	5.105	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CC(Cc2ccc(F)c(F)c2)C1	674565659	YKMWBDHWQLRFQW-UHFFFAOYSA-N	420.328	5.325	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)c(C)c1	725856369	QMXIZICANQFLGB-UHFFFAOYSA-N	418.504	5.297	30	20	HKED	
C#Cc1cccc(NC(=S)N(CCC)Cc2ccc(OCCC)c(OCC)c2)c1	726442192	VOZNGWISZLBCEW-UHFFFAOYSA-N	410.583	5.464	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3C)n2)cc1	727628698	WPFJYGGCHXZRPA-HXUWFJFHSA-N	417.534	5.422	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1c(C)n[nH]c1C	727780450	NPIQXSYHJYWAFF-HJWRWDBZSA-N	402.317	5.117	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc2ccccc2s1	728410586	YLVWHCCSFNRSKL-PXNSSMCTSA-N	412.514	5.531	30	20	HKED	
CC(=O)Nc1cccc(N=c2scc(-c3cc(C)n(C)c3C)n2CCCCC#N)c1	728775798	CXMIAMOFSBBFDU-UHFFFAOYSA-N	421.570	5.057	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)[C@@H]2CCSc3ccc(Br)cc32)c1	728798696	YCOIHPBZZCBPNE-QGZVFWFLSA-N	417.397	5.296	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2ccccc2s1	730394957	OYCLTJZCFAQATL-AVRDEDQJSA-N	418.518	6.145	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1SC(F)F	731028656	NSOCGCMDCGUQEX-ZDUSSCGKSA-N	407.511	5.304	30	20	HKED	
C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)c1ccc(F)cc1F	731723970	PDNNTUGWARJAGL-AWEZNQCLSA-N	407.372	5.057	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2)C2CCCC2)ccc1OC	733644727	GGPWQMQGYUIJRK-ZJSXRUAMSA-N	421.541	5.107	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	734083046	LDWHXMZDJWIPTD-FQEVSTJZSA-N	405.523	5.193	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)c(OC(F)F)c1	734095169	LUFKDCISNQLFAN-QPJJXVBHSA-N	416.392	5.516	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(C2CC2)no1	735163366	MTTQCOGPJZGJOX-GFCCVEGCSA-N	409.829	5.182	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H](C)Sc3cc(Cl)ccc3Cl)[nH]c12	735789812	QYVYKOWKNOSCON-YPMHNXCESA-N	404.322	5.535	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	739142154	HAAJUMJVGBFSFV-ACJLOTCBSA-N	412.411	5.581	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	739157828	XCTHVHXKRLMQKG-XHDPSFHLSA-N	422.859	6.024	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c(C)n1-c1ccc(C#N)cc1	739778789	JOCKLFGAMPOJPB-KRWDZBQOSA-N	410.477	5.112	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H](C)[C@@H]2CCC)c1=S	743380546	JFNVQPFCUSBJON-MJGOQNOKSA-N	400.592	5.134	30	20	HKED	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744936170	NCPAVYYVIPCWCC-XHDPSFHLSA-N	418.852	5.385	30	20	HKED	
COCCN(CCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	746660366	QZVMXSSQCXXBFC-RUZDIDTESA-N	413.521	5.065	30	20	HKED	
Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(N4CCOC4=O)cc3)cc2)cc1	748584493	RPYSJXGORILESM-OVCLIPMQSA-N	413.473	5.427	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nc(C(F)(F)F)cs3)cc2F)c1	751561482	JYXGXURTWJTHGW-UHFFFAOYSA-N	407.392	5.364	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1	757877888	BWSAKMMWGHJCNZ-QFIPXVFZSA-N	401.535	5.197	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1)c1ccccc1	757887131	SEFHVPVGBMLEFR-OAQYLSRUSA-N	419.525	5.100	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	759431638	MIESQPAPDKONEK-YOUPJXQBSA-N	410.533	5.157	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)Nc4ccc(F)cc4OCC#N)CC3)c[nH]c12	761669544	ZEUPJAUWICFQKR-UHFFFAOYSA-N	420.488	5.183	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](CCSC)c2nnc3ccccn23)cc1	764722738	YPOBIAOAXUSKLC-LPHOPBHVSA-N	416.978	5.006	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2cccc(C(=O)N[C@@H](C)CC)c2)cc1	765031471	STVASWULPBBVGV-ROUUACIJSA-N	400.950	5.197	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H]2c2ccc(Cl)cc2)c1=S	765038418	UAPKBSXOUZKGBF-IBGZPJMESA-N	411.962	5.110	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCc2cccc(C(F)(F)F)c2)c1	769940697	APHPYJDMKWURCV-IBGZPJMESA-N	404.432	5.025	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H]2c2nc3ccccc3s2)cc1	771296367	MPEDUKHVHNLGOH-NQIIRXRSSA-N	418.566	5.077	30	20	HKED	
N#CC1(c2ccc(COC(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)F)(C5)C4)cc2)CC1	777144679	YWODVQSTWAOWPI-RGMRCXJASA-N	403.444	5.434	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1	777566504	VOCIZNKAMAMSQR-GOTSBHOMSA-N	415.468	5.517	30	20	HKED	
CCCCCCCCC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	779573063	JCQCHYCKIUJXTB-FQEVSTJZSA-N	410.562	5.119	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	780167389	VJWGVNBEGKGRRH-OAHLLOKOSA-N	417.852	5.547	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	780403265	RFMYUJYJLNCGRN-SFHVURJKSA-N	405.523	5.504	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COCCc2ccccc2)c1	780526772	WPBQGRRUPYYXRY-IBGZPJMESA-N	415.493	5.381	30	20	HKED	
CCCc1c(NC(=O)c2ccc(SC(F)F)cc2)cnn1-c1cccc(C#N)c1	784710108	RFJAZKNYDJBHLZ-UHFFFAOYSA-N	412.465	5.263	30	20	HKED	
C#CC[C@@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)C(C)(C)C	786975910	DEQVJSZJCQLYBQ-MRXNPFEDSA-N	409.313	5.347	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1	795770571	YTLSQIFNGMYYDO-HXUWFJFHSA-N	418.497	5.001	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)Nc1cc(C(C)(C)C)sc1C#N	796859306	IFDWTEICOYHOOU-UHFFFAOYSA-N	401.529	5.178	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Oc2cccc(CNC(=O)Nc3ccccc3)c2)cc1	796906119	QEOACMUUFPUPST-UHFFFAOYSA-N	413.477	5.029	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Cc2cncc3ccccc23)cc1	805856132	RTKBADIDZIOKBP-MHECFPHRSA-N	413.521	5.104	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3ccc(Br)cn3)s2)cc1	814832568	RBOFLKHRDGTMOC-UHFFFAOYSA-N	417.332	5.121	30	20	HKED	
C[C@@H]1C(=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC[C@@H](C(=O)O)C1(C)C	814926966	RILASKWUPQMZHP-DOMZBBRYSA-N	420.435	5.087	30	20	HKED	
CC(=NOCc1ncc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)C2CC2)cc1	914572338	QHWHICKNABXJEH-UHFFFAOYSA-N	409.873	5.284	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c1	916212112	TTWQUDIVLDELDV-OAQYLSRUSA-N	421.566	5.206	30	20	HKED	
Cn1c([C@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)nc2ccccc21	916626956	ILSYIQRMMBMNCD-QGZVFWFLSA-N	424.529	5.443	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)-c1ccccc1C2	916905558	DQICSAXBDDAMQC-XMMPIXPASA-N	408.501	5.344	30	20	HKED	
N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	916942147	GSFFIELWYRYDPI-SFHVURJKSA-N	414.292	5.145	30	20	HKED	
C/C=C/c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)c1	916972246	LVWFYWDEDQCLHG-VZSQWMKGSA-N	418.518	5.416	30	20	HKED	
N#C[C@H](C(=O)Cc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995235	CORJQGHWVDYJPF-CQSZACIVSA-N	405.281	5.675	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	917043278	JVEKFLBNAVMGPT-HOTGVXAUSA-N	400.425	5.611	30	20	HKED	
CCc1cccc(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	920994840	XMGJTIVJOLAMJD-UHFFFAOYSA-N	403.526	5.659	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCC)C1	1301025558	ZUOOXYJHLHAPEN-LJQANCHMSA-N	402.970	5.000	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1	1789455148	MCROILSCUWWFCA-JOCHJYFZSA-N	406.526	5.115	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1	1790989529	DRFUOPQAGLGUIL-QGZVFWFLSA-N	415.537	5.436	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCCn3cccc3)CCC2)cc1	1791250619	XMQKOPSXFSVKDP-FQEVSTJZSA-N	407.558	5.005	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1	4285555	NPKNGYBXBXIOEW-AWEZNQCLSA-N	415.465	5.096	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1	4661986	VCZJHJJWSFFWJO-UHFFFAOYSA-N	409.470	5.165	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)c2)c1	64394238	IIAMRHTZDFFMRB-FCHUYYIVSA-N	415.880	5.206	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)Cc1cccs1	96955783	NUSYGYPQJRTHBD-UHFFFAOYSA-N	411.596	5.640	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCc2nnc(-c3ccccc3)o2)c1	97545643	JLVCTZQJDCISNX-UHFFFAOYSA-N	421.500	5.274	30	20	HKED	
N#CCCn1cc(CNCc2nc(-c3ccccc3F)cs2)c(-c2ccccc2)n1	428444756	WRVFUMVSYYGZOS-UHFFFAOYSA-N	417.513	5.016	30	20	HKED	
CCC(CC)n1nccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	432165665	VTHAQPRWDWBPFR-ZDUSSCGKSA-N	400.454	5.136	30	20	HKED	
Cc1c(C(=O)N(C)c2cc(Cl)ccc2C#N)cnn1-c1cccc(C(F)(F)F)c1	436002626	QCWPABWHVAOSNB-UHFFFAOYSA-N	418.806	5.001	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1	438040699	JNTISOFZJQQRID-GJZGRUSLSA-N	418.588	5.156	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)c(Cl)c2)cs1)c1ccc(C)cc1C	438889466	HBPXJBYSIJISKD-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCC2CCC(C#N)CC2)cc1	440984299	KQWCUJYYZDMLNP-HDYDNRTBSA-N	405.542	5.395	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)c2)c1	445839084	GDVBGLVQCGKZHL-UHFFFAOYSA-N	420.415	5.017	30	20	HKED	
N#CCCN(C(=O)c1csc(-c2ccc(F)cc2)n1)C12CC3CC(CC(C3)C1)C2	460467345	HYHQZNIRECNIRG-UHFFFAOYSA-N	409.530	5.274	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@@H](C)C[C@@H]1c1ccccc1F	460775789	ANSXSRAZLHCBEN-WMZHIEFXSA-N	420.532	5.298	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@H](C)c1cccc(C#N)c1	462121990	QWXMCPOOINCOJG-MRXNPFEDSA-N	412.468	5.302	30	20	HKED	
C[C@H](c1cccc(C#N)c1)c1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1	463056664	VNIKXFKKUUPJLP-QGZVFWFLSA-N	424.460	5.067	30	20	HKED	
Cc1nn(-c2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)c(C)c1Cl	464940919	FHEJTSXJBJHESU-FGZHOGPDSA-N	418.928	5.055	30	20	HKED	
COC[C@@H]1CCCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	467161916	PDJNGTVJIHGKOO-DYESRHJHSA-N	411.933	5.276	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(O)nc(C3CC3)c2)cc1Cl	473710050	METIZESKWVFHGX-IBGZPJMESA-N	403.869	5.226	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4cccs4)C3)c2)cc1	473795019	OYBAEXQQIWUNGD-HXUWFJFHSA-N	405.479	5.017	30	20	HKED	
Cc1nc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)sc1SCC#N	475348439	DUDXQYZFSANHAO-UHFFFAOYSA-N	423.441	5.598	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1Cl	477323893	JZTIMHBSLHPHNO-FQEVSTJZSA-N	404.901	5.559	30	20	HKED	
C=C(C)Cn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccncc1	481358092	GEQPCXNIVGJJCJ-UHFFFAOYSA-N	423.542	5.471	30	20	HKED	
CN(C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C1CCC(F)(F)CC1	481437068	GSZDXTRZRAAKFZ-ZDUSSCGKSA-N	416.337	5.111	30	20	HKED	
C[C@H](CCc1ccco1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481692408	XYMHWLDXSDJTQZ-MRXNPFEDSA-N	407.445	5.012	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C	482588943	RKIPNGACXRQVDA-WCQYABFASA-N	400.454	5.054	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2nc(-c3ccc(CC)cc3)no2)ccc1OC	483652515	LEXFYQHDNXDVRA-QGZVFWFLSA-N	407.514	5.113	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1	485761655	FAGXGXAMNURFEL-UHFFFAOYSA-N	415.284	5.033	30	20	HKED	
O=[S@](Cc1ccc(OC(F)F)cc1)Cc1cc(F)c(C(F)(F)F)cc1F	488776171	YAIVFXYWIMHGLE-AREMUKBSSA-N	400.315	5.034	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc3cc(OC)ccc3c2)nnc1-c1ccccn1	488902568	VURMROLNFWSNEM-INIZCTEOSA-N	402.523	5.541	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3CCCc3ccccc3)cc2)nc1	489302583	VBAMAMDFEMKRPP-HSZRJFAPSA-N	411.505	5.373	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(C)cc1	489657806	IITGXEIDFUAUAP-IBGZPJMESA-N	420.582	5.484	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCC(C)(C)CCC#N	489839291	GLCABAWQELMWGF-UHFFFAOYSA-N	405.498	5.083	30	20	HKED	
Cc1cccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)(C)C)c1	494006221	GYXVOEDASRKNDQ-UTKZUKDTSA-N	423.582	5.231	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1Cl	494197473	FTGWZQGSPIAVOR-WMZOPIPTSA-N	403.860	5.695	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1	495428833	ZURNOPVBASNFAM-INIZCTEOSA-N	403.596	5.067	30	20	HKED	
CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1CCCC1(C#N)CCOCC1	499613167	VPEZIRBTYOQXGH-OAQYLSRUSA-N	423.523	5.097	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1	500457820	UNJQCSCUJYBQAO-HXUWFJFHSA-N	420.582	5.198	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)cc1C	502103862	YJPZBBJBWPVAJL-JOCHJYFZSA-N	400.478	5.324	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2c[nH]c3ncccc23)nnc1-c1cccc(Cl)c1	502141684	IVKJOGFQXFVBBU-ZDUSSCGKSA-N	423.929	5.024	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(C)c2)c1	503068566	LFKOATOGXXPOQB-VWLOTQADSA-N	422.525	5.083	30	20	HKED	
CC(C)(C)c1cc(CCC(=O)N(CCC#N)Cc2ccccn2)cc(C(C)(C)C)c1O	505181329	BYNZGJQGUSMLEL-UHFFFAOYSA-N	421.585	5.257	30	20	HKED	
Cc1sc(NC(=O)c2cc(C#N)ccc2Cl)nc1-c1ccc(OC(F)F)cc1	506709144	YIKRPKUARMWNMR-UHFFFAOYSA-N	419.840	5.497	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)s2)cc1	509575665	QAKCDMMHUZZHSG-KRWDZBQOSA-N	419.550	5.612	30	20	HKED	
C=CCOc1ccc(CNCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1	512557117	LQZMJNGGKFPGMP-UHFFFAOYSA-N	406.913	5.447	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1	512924026	DGFXIJFZYNSANX-UHFFFAOYSA-N	413.521	5.734	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccccc1	514774222	XWGCYLUIHCNFLY-NRFANRHFSA-N	420.582	5.503	30	20	HKED	
C[C@H](Nc1ccccc1COCc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1	515647611	MYZWQUAWRQJNNC-KRWDZBQOSA-N	419.912	5.368	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	517652095	CMYDWADJHGQGNK-WOJBJXKFSA-N	410.395	5.507	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@@H]2CCCO2)CC1	517761058	FZSIONPEGRPHEJ-OFNKIYASSA-N	424.589	5.006	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)c1cccc(C(F)(F)F)c1	518848904	JCQPSWLXOPQLRM-CQSZACIVSA-N	423.188	5.209	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	520633105	ALEVFKFMYJKCBI-WFXMLNOXSA-N	423.582	6.095	30	20	HKED	
CCOc1ccccc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N	520834011	QPKCDQBCBLSLFD-INIZCTEOSA-N	400.569	5.209	30	20	HKED	
CN(C)[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	521475021	MYIOJCFMAAOSCT-GGAORHGYSA-N	403.913	5.237	30	20	HKED	
C=CCN(C(=O)C[C@H](C)c1ccc(C(C)C)cc1)c1nc(C(=O)OCC)cs1	523104259	FHOSZEVEGREKPU-INIZCTEOSA-N	400.544	5.156	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1C	523530399	QRGSHTBYDXPHJX-UHFFFAOYSA-N	413.308	5.239	30	20	HKED	
N#C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2)cc1	524333464	BMKMORZRCSWPTK-QFIPXVFZSA-N	424.422	5.208	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)n1	525325429	NVWDITLQGRJLTJ-SFHVURJKSA-N	401.516	5.732	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ncsc1C(F)(F)F	527159434	WMRFENZOKFFKRI-UHFFFAOYSA-N	417.412	5.173	30	20	HKED	
CC(C)(C)c1ccc(OCc2ccc(C(=O)NC3(C#N)CCSCC3)cc2)cc1	533747546	YVQAZDMAAKPTOL-UHFFFAOYSA-N	408.567	5.082	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	536239769	QALCPSRRAACVHB-PGRDOPGGSA-N	407.583	6.573	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(F)c1	538520756	SQRQXXVZFJUDMH-UHFFFAOYSA-N	423.284	5.241	30	20	HKED	
Cc1ccccc1Cc1noc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	541085789	TVVYEBLTASZJOA-IBGZPJMESA-N	408.505	5.358	30	20	HKED	
COCCOc1ccc(C#N)cc1N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C	542487817	HONJTJPPUMPGJH-HNNXBMFYSA-N	423.538	5.197	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1	542878826	ZGMRNQBVCXDZDR-GFCCVEGCSA-N	411.248	5.323	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1c(F)cccc1F	542934013	FBNZAZRRJAOZND-HZPDHXFCSA-N	405.448	5.181	30	20	HKED	
COc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1NC(C)=O	543033758	OAYAOQWNOVZKND-QZTJIDSGSA-N	413.521	5.604	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cnc1C(F)(F)F	555967486	PEXRNSYHMTVJLU-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
COc1cc(Br)ccc1[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F	564009940	ABMGNVOFMGLLFH-LLVKDONJSA-N	413.237	5.199	30	20	HKED	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(F)c2ccccc12	565369321	YOSMOGUUQBTCMO-MRXNPFEDSA-N	419.475	5.083	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	568573400	DCWXULXOQYJBIV-UHFFFAOYSA-N	404.495	5.420	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N(CCC#N)c3ccc(F)cc3)s2)cc1	578309982	UEXDZZHGLZZRKV-UHFFFAOYSA-N	409.486	5.217	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)c2)cc1	581599259	XIKLKDWEASCUSE-RPWUZVMVSA-N	415.468	5.148	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(OCc2ccccc2)nc1)c1ccccc1	590107869	QYHWNTRWEIARLQ-JOCHJYFZSA-N	400.482	5.217	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc2cc(Cl)ccc2s1	591862517	UCGXEGVYFSWIGP-INIZCTEOSA-N	421.934	5.986	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1	596385093	BBEAPVYVXWUTAH-SFHVURJKSA-N	421.566	5.516	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1	603649525	GVQYCVCLOPBAAM-UHFFFAOYSA-N	402.401	5.022	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)cc1Cl	604528305	VDNNBNAXJAHHRS-WOJBJXKFSA-N	415.880	5.060	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cn1c(C)cc2ccccc21	609061657	SIFQEICXPWURBM-UHFFFAOYSA-N	409.489	5.348	30	20	HKED	
CC(C)CCN1Cc2cccc(N[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c2C1	609076210	PHBYRCFDSKTZEY-INIZCTEOSA-N	410.949	5.012	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	609384997	CPCRFTAIEFJYGK-OPAMFIHVSA-N	415.990	5.517	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1	609435503	RQUKNHJILYBYEU-UONOGXRCSA-N	405.470	5.565	30	20	HKED	
CN(C)[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(Cl)c1	609492265	JPAGQFWQVVBBOO-QHCPKHFHSA-N	419.912	5.032	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccccc1Br	609591090	JNDTVWBBGBLPMJ-AWEZNQCLSA-N	423.097	5.232	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1cccs1	609744581	RRIVIEIHTJFKEF-XLIONFOSSA-N	421.591	6.105	30	20	HKED	
Cc1nc(SCC(=O)Nc2cccc(Cl)c2OC(C)C)c(C#N)c(C)c1C	609817610	ZLBJNDKOOVZHQC-UHFFFAOYSA-N	403.935	5.050	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(-c4ccncc4)cc3)cc2)c1	610095081	GDHPSDDHDBMJKL-UHFFFAOYSA-N	420.472	5.734	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610319837	LIGZRDCRXLWTRA-OPAMFIHVSA-N	416.456	5.500	30	20	HKED	
COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)N1CCC[C@@](C)(C#N)C1	612318450	DPISMUGNENERSD-FQEVSTJZSA-N	417.918	5.013	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1ccc2ccccc2n1	613291168	VBMRUJRPKASWIL-OAQYLSRUSA-N	418.452	6.050	30	20	HKED	
FC(F)(F)c1cccc(OCCCN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	620618267	WEXBEVHTDKXBSX-BETUJISGSA-N	423.319	5.537	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	678919419	CFLAOEMRQYDZKQ-AWEZNQCLSA-N	420.460	5.671	30	20	HKED	
COc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CCC2)cc1	726321454	HPNXTQJMMLCXJR-HXUWFJFHSA-N	402.519	5.425	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1ccncc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726446363	ZSQAQGIZSGBHJC-INIZCTEOSA-N	406.942	5.567	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2csc(-c3cccs3)n2)cc1	728439944	HRXXEVIIZYMHRW-TWGQIWQCSA-N	407.520	5.080	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)OCc2cc(-c3ccc(Cl)cc3)no2)c1	732397990	ZGACUJDCMMYYJW-UHFFFAOYSA-N	410.857	5.159	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)cc2)cc1	733031405	LNPAZQDSJMENLA-QHCPKHFHSA-N	419.431	5.998	30	20	HKED	
FC(F)(F)c1cc(NN=C2CCC[C@H]2Cc2ccccc2)nc(-c2cccnc2)n1	735615538	NZWJLODONFBMAW-INIZCTEOSA-N	411.431	5.368	30	20	HKED	
COC(=O)[C@@H](OC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(C#N)cc1	740185736	VSAUXBNKBDBKPC-INIZCTEOSA-N	420.273	5.151	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740665068	QOBOMSXFGVDGJY-HNNXBMFYSA-N	408.548	5.092	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cc1	741738114	GHERUYARQDQFJP-UHFFFAOYSA-N	408.498	5.043	30	20	HKED	
O=C(Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)OCC(F)(F)F	742632312	ZARRKGSXQUULJK-UHFFFAOYSA-N	424.272	5.208	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1	743143315	KKZXHDRQYGMMAL-UHFFFAOYSA-N	415.440	5.232	30	20	HKED	
COc1ccc(Cl)cc1NCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	743856038	SOEHHGOIVMRSIS-OAQYLSRUSA-N	419.912	5.445	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1OC(F)F	747123085	XYLTUSTYFHCPEW-KRXBUXKQSA-N	414.360	5.151	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)n1	747193059	DCXFYVRARRCYSV-FQEVSTJZSA-N	402.519	5.773	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	754531360	KXGGSDFNOFTMOL-ZANVPECISA-N	407.417	5.290	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)c2ccccc2oc1=O	755242842	YXAVOYLSJCGKJF-UHFFFAOYSA-N	410.429	5.326	30	20	HKED	
C[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)c1ccc(C#N)cc1	756454352	CFZVQZZINCRKOL-QWRGUYRKSA-N	424.136	5.201	30	20	HKED	
C[C@H](Cc1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	756516079	QNYSNAXRBPYXJH-ABAIWWIYSA-N	409.700	5.173	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3cc(F)ccc3F)n2)cc1	762049467	CWIINSBRNJEMQD-GOSISDBHSA-N	407.445	5.159	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cn(CCCC#N)c2ccccc12	769545165	VJTLUTPCBGJEGO-UHFFFAOYSA-N	417.509	5.172	30	20	HKED	
COCc1ccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	770217720	JVGYFHDRKSIGIY-UHFFFAOYSA-N	401.466	5.122	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)cs1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771095858	CDEUEYKZPIQFMD-CYBMUJFWSA-N	417.428	5.085	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1	772984152	MSFBQXCKKLPYBV-CVDCTZTESA-N	400.522	5.894	30	20	HKED	
C=C[C@H](CC)OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	776104177	MVLXCJWBMZSPTR-UKRRQHHQSA-N	414.552	5.193	30	20	HKED	
CCOC(=O)c1cc2cc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)ccc2s1	780490533	WUTHKJHFJNYYND-ZDUSSCGKSA-N	409.467	5.013	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1	780666603	AGFZSIZEBFHFHN-AOMKIAJQSA-N	420.900	5.279	30	20	HKED	
CC[C@@H](CC#N)OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	787086632	CDZZBFMDRSNJFE-PMUJDMTCSA-N	411.386	5.344	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	788351428	YWYULXUMWPBAOJ-DFQSSKMNSA-N	418.518	5.116	30	20	HKED	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)cc1	793431825	YXTAWTRWDKAECG-SFHVURJKSA-N	404.491	5.302	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1Cl	796271728	WVGVTQRCGWMWGB-HNNXBMFYSA-N	410.930	5.089	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)[C@@H]3OCCc4sccc43)n2)cc1	796776376	WKDSPSVTVLBJTR-IFCGJNOESA-N	424.547	5.007	30	20	HKED	
Cc1ccc(S[C@H](C(=O)OCCCC2(C#N)CCOCC2)c2ccccc2)c(C)c1	800163321	GIJAXIFLFJRXFQ-QHCPKHFHSA-N	423.578	5.781	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl	801613637	VZAHJXYCXVPYNG-OAQYLSRUSA-N	400.869	5.189	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1coc2ccc(C(C)C)cc12	805855484	JNIUMQGWDCOMRS-HXUWFJFHSA-N	402.494	5.642	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1	915087727	WVTHXSHULYVVLL-LJQANCHMSA-N	411.288	5.666	30	20	HKED	
Cc1cc(OCCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1Cl	915106500	CAOQTOLWTMVEKP-OAHLLOKOSA-N	417.843	5.429	30	20	HKED	
CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915351449	CEJSCIUAWBCKGH-HSZRJFAPSA-N	419.912	5.538	30	20	HKED	
O=C(/C=C\c1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1)c1ccc(F)cc1F	916127570	KGNVQWNWBNBSTR-JTAXDKCCSA-N	410.366	6.035	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NN(c2ccccc2)c2ccccc2)cs1	916249608	BVZBBRZUQHUGOH-UHFFFAOYSA-N	412.518	6.000	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C2CCCCC2)cc1	916903963	UYYIQHWLRUXDGY-QHCPKHFHSA-N	402.538	5.820	30	20	HKED	
CCOc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916974413	KTKWEARKNHPAIY-LJQANCHMSA-N	408.548	5.486	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cnc2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1	916977448	QWUHHNLRERPHNS-IBSYWUHOSA-N	416.893	5.296	30	20	HKED	
N#Cc1ccc(-c2ccc(OCc3nnc(-c4cc5ccccc5c(O)n4)o3)cc2)cc1	1345782606	IDUHTIGQBSDESX-UHFFFAOYSA-N	420.428	5.108	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1	1791302518	OGYKCXZMONBEIQ-NRFANRHFSA-N	424.438	5.078	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccccc1	10170429	ZJEXCEFSZKIZBJ-UHFFFAOYSA-O	401.964	5.302	30	20	HKED	
C=CCn1c(SCC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)nnc1C1CC1	22519040	CZHKBBQCOSSSEE-QGZVFWFLSA-N	420.582	5.344	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	24497476	PFGJIGDKVMIALU-UHFFFAOYSA-N	410.926	5.482	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2n1C(F)F	41558358	OTRXQCYQSXPXNS-CYBMUJFWSA-N	411.795	5.835	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	46525627	YSGXHHIYJGDOPW-UHFFFAOYSA-N	403.463	5.140	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2c(F)cccc2F)cc1	57110823	ZRURDGIBUDSLOR-UHFFFAOYSA-N	408.473	5.101	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1	60477101	SJUOQADUIHEMKY-LJQANCHMSA-N	417.921	5.999	30	20	HKED	
Cc1cc(CNC(=O)N(C)C[C@@H](C)C#N)ccc1Oc1ccc(Cl)cc1Cl	63408179	PMUDABJQTLJPKB-ZDUSSCGKSA-N	406.313	5.395	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1sc(NC(=O)c2ccco2)cc1C	105461558	MBZSESJYEAIBGO-UHFFFAOYSA-N	420.943	5.445	30	20	HKED	
O=C1/C(=C\c2cnn(Cc3ccccc3)c2)CC/C1=C/c1cnn(Cc2ccccc2)c1	215191663	PCUVXPDNITZSCB-WFBNZKAHSA-N	420.516	5.006	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(F)cc3C)o2)ccc1OC	237021179	JBWOUHNKPMVRNU-IBGZPJMESA-N	408.473	5.374	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(Cl)cc2)cc1	303112853	LFLSMJKVGUYXTG-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
CCN(C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12)[C@H](C)c1ccc(C#N)cc1	303129492	OAFRNYZTOUMILP-GOSISDBHSA-N	424.504	5.602	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cc(Br)sc1Br	410362377	XXBBXLVIBFTQCN-UHFFFAOYSA-N	415.150	5.644	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCC(F)(F)C2)cc1Cl	431113206	SGNQHXDQARSUKZ-RDTXWAMCSA-N	403.860	5.552	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)C(F)F	432869419	WSSGYTIQPJYGIB-QFIPXVFZSA-N	421.447	5.574	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1	438074522	NBKGWAMFDVAHCL-FPOVZHCZSA-N	422.598	5.067	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3CC(=O)c3ccccc3)c2)c1	443857507	ZUIVZZPCRQJJLW-XMMPIXPASA-N	424.500	5.015	30	20	HKED	
Cc1sc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1-c1ccc(F)cc1	447248044	RSBXCFOIPDFQDG-INIZCTEOSA-N	404.388	5.767	30	20	HKED	
C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1	448342363	QHIGHCBBJLCXEJ-ZDUSSCGKSA-N	409.898	5.255	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(Cc1cccs1)Cc1cccs1	460376150	RRHYYLXTZHZYCA-QFBILLFUSA-N	414.600	5.282	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1	463995897	NAUYEPSQHHNFAI-MRXNPFEDSA-N	421.522	5.177	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1cc(C(F)(F)F)ccn1	464413228	YHMXSBZMFCZENK-OAHLLOKOSA-N	419.453	5.339	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N[C@H](C#N)C(C)(C)C)c2nc3ccccc3s2)c1	464706270	BSUULXUUQTWUOG-NYXAKURHSA-N	419.550	5.290	30	20	HKED	
C=CCOc1ccccc1CN[C@H](c1cccc(Br)c1)C1CCOCC1	467406931	REKBRDGXZOHOEC-QFIPXVFZSA-N	416.359	5.271	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCOc4cc5c(cc43)CCC5)ccc21	469113827	TXMZJHDGKZCHRV-HSZRJFAPSA-N	415.537	5.084	30	20	HKED	
C[C@H](N[C@@H](C)c1nnnn1C1CCCCC1)c1ccc(-c2cccc(C#N)c2)cc1	469240882	LNPYNDMUGHUOQY-ROUUACIJSA-N	400.530	5.129	30	20	HKED	
CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470545359	DSBKMOVHEIRJBC-JOCHJYFZSA-N	418.541	5.275	30	20	HKED	
C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)c(Cl)c1	471879184	ZNVJNEXGCVDAFB-CQSZACIVSA-N	403.309	5.039	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1	472929399	ZNMDVYQWJSPXBR-UHFFFAOYSA-N	409.436	5.159	30	20	HKED	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	473855426	ARJLRDSQUOQQTB-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3cc(C#N)cs3)cc2Cl)n1	474403875	SCAZVOBSROJVHT-UHFFFAOYSA-N	418.931	5.467	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	475574595	PAIZJOPNUPUAGV-UHFFFAOYSA-N	416.569	5.150	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	475969101	UYHLQXPEJGNBIF-UHFFFAOYSA-N	407.558	5.872	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	476414840	MGNHIYKEKBLBHP-UHFFFAOYSA-N	400.463	5.206	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	482812686	NCNCHQKHYKEBSD-HTAPYJJXSA-N	418.924	6.136	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483209250	WVFUCKQFHYZVCD-LBPRGKRZSA-N	423.259	5.390	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1	483215351	HKLPQBVHSJULJW-LJQANCHMSA-N	406.470	5.143	30	20	HKED	
C=CCCOCCCCC(=O)Nc1c(Br)cc(F)cc1Br	484155135	DDOQCFMHIQNQAD-UHFFFAOYSA-N	423.120	5.052	30	20	HKED	
CSc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1[N+](=O)[O-]	486217105	BYAAPPLTUTWQIJ-UHFFFAOYSA-N	419.462	5.020	30	20	HKED	
N#CCN(C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)c1ccccc1	495500974	CDMSKGDTDCHNRS-UHFFFAOYSA-N	421.456	5.837	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)ccc2OCC)cc1OCC	500553482	BUBWAECLHPKQNQ-UHFFFAOYSA-N	402.878	5.050	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl	501031535	YXCPIAUUDPYUNI-LJQANCHMSA-N	402.325	5.474	30	20	HKED	
N#C[C@@H](C(=O)c1cnccc1Oc1ccccc1)c1nc2cc(Cl)ccc2s1	501329837	OYKUYQCXCOCDPE-HNNXBMFYSA-N	405.866	5.627	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1	504730358	MHGYIGCVIABHPO-QGZVFWFLSA-N	420.534	5.722	30	20	HKED	
Cc1cccc(OC[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	507817936	ARCQAUSGOWGXOO-LJQANCHMSA-N	416.546	5.356	30	20	HKED	
CCN(Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H](C)c1ccc(C#N)cc1	508604788	OAUKJPUBELZGHM-FQEVSTJZSA-N	407.521	5.389	30	20	HKED	
CN(CCCOc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510664390	ICTTWNYVSZFBPE-UHFFFAOYSA-N	401.466	5.283	30	20	HKED	
CC(C)(C)c1noc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1	512178690	HOBNERMBHRYKEN-CYBMUJFWSA-N	414.575	5.023	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CCCc2ccc(Cl)c(Cl)c2)cc1	514033650	XBKJIXHOSIIRQD-UHFFFAOYSA-N	406.313	5.262	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cc(-c4ccccc4Cl)on3)n2)cc1	514784019	CYCGJUAXPCAMAY-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C#N)c(F)c1	515147890	LTVLDTANKWXJJQ-LJQANCHMSA-N	410.496	5.460	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1[N+](=O)[O-]	515706776	CCOIRGTXWWOCKW-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4cccc(Cl)c4)c3)n2)cc1	516465187	NTXYYDWIXCLONG-IBGZPJMESA-N	418.909	5.448	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc(-c2ccncc2)cs1	516767828	HQEKAJKMPILEOL-CQSZACIVSA-N	424.279	5.204	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(Br)cc1	517460814	XRDZEFDQGRGVCG-KGLIPLIRSA-N	418.360	5.140	30	20	HKED	
COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1F	518147785	JJSLAKLSBVUTEM-UHFFFAOYSA-N	412.408	5.040	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)Nc3cc(C)nn3CCC#N)c2)c(C)c1	520112443	MLQGADZZFPYQFX-UHFFFAOYSA-N	404.539	5.267	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1	522486808	VJLSGYVRVOVREO-UHFFFAOYSA-N	420.774	5.655	30	20	HKED	
C[C@@H](Oc1ccccc1NCC(=O)Nc1ccccc1SCC#N)c1ccccc1	523753323	WARYYCUCONGOPI-GOSISDBHSA-N	417.534	5.493	30	20	HKED	
CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	523900977	IEMYBCRETWGOEB-UHFFFAOYSA-N	416.868	5.152	30	20	HKED	
Cc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C	532483738	UDZKLLBOVNZAKD-KNQAVFIVSA-N	407.583	5.473	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c([nH]c5ccccc45)C3)cc2)cc1	534774685	BBDLLFZEXWWSBS-UHFFFAOYSA-N	408.461	5.422	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@@H](c1ccccc1)C(F)(F)F	535796627	GDCYRSFMWPGQGM-GJZGRUSLSA-N	408.317	5.422	30	20	HKED	
CC[C@H](c1ccncc1)N(C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	539885189	LVYAQIUXEMSJTO-HSZRJFAPSA-N	401.510	5.124	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CCCCCNC(=O)NC2CCCCC2)c(C#N)s1	540274396	OPFLKWKBKYOQRS-UHFFFAOYSA-N	418.607	5.048	30	20	HKED	
CCSc1ccc([C@@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	540400037	YEPQSERSNVPUNO-IAGOWNOFSA-N	413.612	5.340	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N[C@H](c1cccc(F)c1F)C(F)(F)F	542204662	UYEVJSNQVLWCOQ-BLLLJJGKSA-N	411.292	5.421	30	20	HKED	
CCc1nc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	543016634	GMVVBXPBALDISE-MRXNPFEDSA-N	404.539	5.147	30	20	HKED	
FC(F)(F)c1cc([C@H](NC[C@@H]2CCCOC2)C(F)(F)F)cc(C(F)(F)F)c1	543052622	NNCCBJSADCNWMG-ZANVPECISA-N	409.292	5.344	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(c3)CCCC4=O)cc2F)c1	555835610	QSPPMXWJSCKVRR-UHFFFAOYSA-N	414.436	5.048	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	565674999	OFHQQSNJWKONFY-IBGZPJMESA-N	405.501	5.268	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@](C)(OC)CC1	566397867	LGYKQFOMQZCNAL-UQBPGWFLSA-N	420.557	5.153	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(-n2cccn2)c1	567285001	CLJYYYMLCQHPMR-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
Cc1oc(C#N)cc1-c1nc([C@H](Oc2ccc(Br)cc2)C(C)C)no1	568326961	DQGNQGJPZNHRPG-MRXNPFEDSA-N	402.248	5.048	30	20	HKED	
Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	574480479	YTBGASWHEMCLSW-GOSISDBHSA-N	405.841	5.464	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	580206396	CZRAOFTVOXJMLM-VWNXMTODSA-N	414.484	5.500	30	20	HKED	
N#Cc1cc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)ccc1OC(F)(F)F	581102880	JRCCMJOLONACFA-UHFFFAOYSA-N	410.220	5.006	30	20	HKED	
Cc1c(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)sc2ccc(C#N)cc12	590033324	XWXZALZEQPJHHM-DENIHFKCSA-N	404.535	5.321	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)C1(c2ccc(Br)cc2)CCCCC1	603523878	HRARNVAGXCIETG-UHFFFAOYSA-N	411.343	5.181	30	20	HKED	
C=CCCCCCN(C)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C	606814675	QETJXOYDOGDVSD-UHFFFAOYSA-N	422.953	5.920	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1	609387422	BTPGPYFQVYZDDW-HNNXBMFYSA-N	420.987	5.485	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(F)cc1Cl	609431975	CWSFGGGJGVATOI-AWEZNQCLSA-N	409.848	5.582	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCN1CC1CCCCC1	609452154	USDAMLCYJLJBJP-QUCCMNQESA-N	414.619	5.105	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCC3(CCCCC3)C2)cc1C	609535592	RJEXGDGLAIRHCR-UHFFFAOYSA-N	404.558	5.267	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1Cl	609783676	DJRQGNDVOTYFQN-PGRDOPGGSA-N	416.908	5.890	30	20	HKED	
CC(C)Oc1c(Cl)cccc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	609826797	BTGNGVWLSBVPAC-AWEZNQCLSA-N	403.935	6.165	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2cnn(CC(C)C)c2C(F)F)n(-c2ccccc2)c1C	611467114	PVMKFJNPDTVZMH-UHFFFAOYSA-N	411.456	5.008	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1	613290282	AZHFKWRLZJXNPS-OAHLLOKOSA-N	408.301	5.762	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	613290314	CDCAMYILOPEFSO-SFHVURJKSA-N	417.465	5.208	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC(C)(C)CC(F)(F)F	614930326	WTGVSEKKRCMVLN-UHFFFAOYSA-N	405.420	5.298	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618539137	HEHQMTHJDYHDGM-UWVGGRQHSA-N	408.264	5.300	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)C1	619336029	DEJYCQUYNIMMAQ-LJQANCHMSA-N	405.285	5.338	30	20	HKED	
CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	674617058	VOFRSSRGZWMIBZ-HZSPNIEDSA-N	414.365	5.295	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc2ccccc2n1	677557080	DUWOOAWYUCXSAO-NRFANRHFSA-N	400.441	5.335	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1-c1ccco1	685350859	LPLCNHPBFDPGOB-UHFFFAOYSA-N	424.551	5.539	30	20	HKED	
Clc1ccc(COc2ccc(C=Nn3cnnc3-c3ccccc3)cc2)cc1Cl	727061629	LSRKTKQOAKBCRX-UHFFFAOYSA-N	423.303	5.713	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(F)cc3)cc2Cl)c1	727979386	WSSBYUCTQCDTDW-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
COC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	728767157	WLYSOTKVHBAHNZ-MRXNPFEDSA-N	411.870	5.132	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1CC#N)C(=O)Nc1ccccc1Sc1ccccc1	729320607	JBSQMCWJWWZWMQ-QGZVFWFLSA-N	416.502	5.088	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(F)cc1	729837269	AZSYQGHLZRXPIU-CYBMUJFWSA-N	423.694	5.451	30	20	HKED	
C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1csc2ccccc12	729957698	KDWKLCYIPUXGBX-HNNXBMFYSA-N	402.475	5.436	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1Br)c1nc2cc(F)ccc2s1	730417125	LBHMPWPJOMOXRL-CYBMUJFWSA-N	403.276	5.007	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc(OCCCC(=O)O)cc2)ccc1Oc1cccnc1	732713377	AWIICJPYASDJTN-WUXMJOGZSA-N	417.461	5.322	30	20	HKED	
CC(C)n1ncc2cc(CNCc3cccc(-c4ccc(C#N)s4)c3)c(Cl)nc21	740011414	NOQBHBKDFRUVQB-UHFFFAOYSA-N	421.957	5.556	30	20	HKED	
Fc1ccc([C@@H]2CCCC2=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	741164770	ZHQIEOBJMSNHIJ-HNNXBMFYSA-N	415.394	5.432	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030534	HDTBETUCOLLZMN-ZDUSSCGKSA-N	422.337	5.377	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2s1	744935830	GDMGZYYKONTIFA-AVRDEDQJSA-N	418.905	5.946	30	20	HKED	
O=C(/C=C\c1cnc2ccc(Br)cn12)c1ccc(-c2ccncc2)cc1	745990825	YZMOYJCNXRODNJ-SREVYHEPSA-N	404.267	5.055	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](c3ccccc3)[C@@H](CC)C2)c1	746417930	MQUAWFIWNJIAFU-FJIJXJHWSA-N	405.542	5.093	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(C(F)(F)F)cc1	748623103	INOXWFQFHDULGG-SFHVURJKSA-N	409.383	5.266	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1cn(-c2ccccc2)nc1-c1cccnc1	754712297	KKMBJTHONXQUBI-UHFFFAOYSA-N	408.383	5.366	30	20	HKED	
CSc1cc(O)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	754746563	JGCZDXVVWJFWSU-UHFFFAOYSA-N	406.532	5.530	30	20	HKED	
N#Cc1ccc(SCC(=O)OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1	756182742	FBVMCDXRLSICOQ-UHFFFAOYSA-N	418.396	5.068	30	20	HKED	
C#CC[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	757582113	ZIOKEHBULMZZBD-INIZCTEOSA-N	402.441	5.129	30	20	HKED	
CC[C@@H](OC1CCCCC1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	761108972	QTCGZXBILGXIIB-RDTXWAMCSA-N	404.482	5.392	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccs3)C2)cc1	761620164	URFRCDLFDQUSHJ-RTWAWAEBSA-N	403.507	5.009	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	766843111	FGZXQXHWXHWCDZ-RZXPCSSPSA-N	414.317	5.792	30	20	HKED	
O=C(/C=C\c1cnc(C2CCC2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771100444	YKYBAWAFEXCWKA-XZVRFQMRSA-N	401.503	5.394	30	20	HKED	
CN1C(=O)CCc2cc(/C=C\C(=O)c3ccc(SCC(F)(F)F)cc3)ccc21	774129357	FESCDJDBCIYXEG-KMKOMSMNSA-N	405.441	5.146	30	20	HKED	
C[C@@H](N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(OCC#N)cc1	776156406	MDSIQFINKZTBHW-KOSHJBKYSA-N	414.484	5.170	30	20	HKED	
Cc1nc(-c2cc([C@H](C)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cs2)cs1	777114173	GJVPYJMQBYMEEK-AWEZNQCLSA-N	424.595	5.186	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	779128116	QTNGQBSWYACXSY-UHFFFAOYSA-N	420.296	5.142	30	20	HKED	
N#CCC1(COC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CC1	779214408	UXQVZAJOFGBGHL-JVDDPLHJSA-N	423.397	5.346	30	20	HKED	
C[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782524210	QFSMEKVSHMCNGV-GOSISDBHSA-N	415.562	5.850	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccc(Br)cc1	797566263	DLSOARIYGFGQAO-IUODEOHRSA-N	405.361	5.573	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)s1	797567370	HGEIVQRGGMONJO-AWEZNQCLSA-N	415.971	5.636	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC(C)(C)CC(=O)c1ccccc1	799602020	DSZLPFJUMAJRAA-OAQYLSRUSA-N	418.537	5.148	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1)c1ccncc1	813071691	CWRADBKFCDSFIO-LJQANCHMSA-N	404.341	5.595	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813219145	WWEBEHHKXVEWSB-OXQOHEQNSA-N	424.422	5.335	30	20	HKED	
CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)cc1OCC	915988400	VPHCFCBAYRXTIH-YFHOEESVSA-N	402.874	5.051	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2o1	917510125	PKNNVKCJXRIMKV-GEXIGZQTSA-N	424.300	5.755	30	20	HKED	
C=CCN(C(=O)C(F)(F)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	918552456	PREHQCWYVOAQFE-UHFFFAOYSA-N	415.421	5.029	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1	920279906	TWNBNJORELXGKD-SFHVURJKSA-N	413.424	5.601	30	20	HKED	
Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	920832137	FRLJRHSICYNCEH-NTMALXAHSA-N	411.845	5.287	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2ccc3ccccc3c2)cc1C	920850670	BMDYUZSJWAKHBQ-UHFFFAOYSA-N	408.505	5.510	30	20	HKED	
O=S(=O)(Nc1ccc(N=Cc2ccccc2O)cc1)c1c(Cl)cccc1Cl	920943858	BSCJELUKMRFTGZ-UHFFFAOYSA-N	421.305	5.250	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)c1cccc(Cl)c1	921005427	DHXGIHSRGPNZSJ-IAZYJMLFSA-N	423.731	5.458	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4(C)CCC4)cc3)CCC2)c1	1785814838	YTNVWJBGBDLRKC-GOSISDBHSA-N	415.537	5.252	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCC(F)(F)F)cc2)CCC1	1786623170	YXZBBMMORAQYQU-LJQANCHMSA-N	422.491	5.622	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CC3)cc2)CCC1	1789196827	VETBKEZRBLPQKJ-GOSISDBHSA-N	420.475	5.231	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(C)on3)cc2)CCC1	1789570969	QUZBUPSOILAMNP-VAWYXSNFSA-N	421.541	5.123	30	20	HKED	
C[C@H](CC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1)c1ccccc1	1792232813	MIYXJLNZJCLVIV-LJQANCHMSA-N	415.537	5.008	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)CC2)C1	1805458703	TUXZCBVRCYEINW-QFIPXVFZSA-N	422.613	5.098	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2OC(F)F)cc1	10114295	HJHITBUVCMMHJK-UHFFFAOYSA-N	424.472	5.382	30	20	HKED	
C[C@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	11185879	USOAIAHBVYJTEI-MLRMMBSGSA-N	423.683	5.102	30	20	HKED	
CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccccc2)cc1	11263640	MTPOPVQXYWERKG-UHFFFAOYSA-O	411.497	5.427	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3CS2)n(C2CCCC2)c1C	11268420	JABNERYPOGEOEB-UHFFFAOYSA-N	424.595	5.698	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	25034401	JJSSMXJLLFONNT-AWEZNQCLSA-N	424.957	5.028	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C[C@@H](C#N)CCC#N	25230125	USNZIWAQHLOCTG-GOSISDBHSA-N	403.917	5.068	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CCCC[C@H]1C(F)(F)F	46533269	WEKLELIINVLNOA-ZIAGYGMSSA-N	415.349	5.411	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccc(F)cc12	55823723	RCSIZJAISCXNFN-UHFFFAOYSA-N	414.436	5.778	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2ccccc2)CCOCC1	57374624	JFOMCUKNIOXSLQ-UHFFFAOYSA-N	412.489	5.346	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21	60603133	SDYSBSADWGOSQF-FQEVSTJZSA-N	404.432	5.202	30	20	HKED	
Cc1cc(Sc2nnc(-c3ccccc3Cl)o2)n2c(nc3ccccc32)c1C#N	71872227	FQJBZRIRCHTHNA-UHFFFAOYSA-N	417.881	5.522	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C)Cc3cccc(C#N)c3)cc12	105860571	CWQXYWGDJWIOPX-UHFFFAOYSA-N	420.925	5.193	30	20	HKED	
N#CCCCOc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)c1	237827752	SMPBMNVGQWIAHA-UHFFFAOYSA-N	422.532	5.512	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1cccc(Br)c1	303315460	SALDZHSNTQXGSX-CYBMUJFWSA-N	421.385	5.432	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl	303393632	PGGKVEBFDGBVOX-FUHWJXTLSA-N	413.974	5.831	30	20	HKED	
CC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(C)cs1	303699760	XBCZTKCHPPUREP-GOSISDBHSA-N	411.914	5.650	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)s2)cc1	303756808	BSQSRMXKHSOJPQ-JKSUJKDBSA-N	411.889	5.140	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2ccc(F)c(F)c2C1	426085147	NXFUUUMPWXBANS-UHFFFAOYSA-N	419.431	5.527	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2ccc(OC(C)C)cc2)cc1C	429575486	VDEPYJUDYRMQSH-UHFFFAOYSA-N	416.525	5.144	30	20	HKED	
N#CCCn1cc(CNc2ccccc2COCc2ccccc2)c(-c2ccncc2)n1	435135864	VTCZQWYRXQZHCH-UHFFFAOYSA-N	423.520	5.188	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(C(=O)N[C@H](CCC#N)c4ccccc4)CC3)c2c1	438839391	VQQGGGYDFVLJID-HSZRJFAPSA-N	416.525	5.111	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)c1ccccc1	438854833	XIXOPHQSRNQMFF-WOJBJXKFSA-N	412.331	5.341	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	439323355	MWYHYKUXDDNFFN-UHFFFAOYSA-N	420.328	5.615	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccccc1	439384836	JPQRKXJNBJRJRP-JOCHJYFZSA-N	409.555	5.265	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(C(F)(F)F)cc1	441574647	KXCQONNHPUSYQG-SFHVURJKSA-N	421.463	5.502	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC4CCOCC4)cc3)n2)cc1	442670663	DOOMHTIVVNPWAA-OAQYLSRUSA-N	418.518	5.166	30	20	HKED	
COCCSc1ccc([C@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1	444183146	NBQPFWMEDGVKMO-SFHVURJKSA-N	421.566	5.175	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	444929794	AIERTBIONAQREP-GFCCVEGCSA-N	400.891	5.556	30	20	HKED	
CCN(C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@H]1CCOC(C)(C)C1	460878700	FOISSZLXHOLKCG-MBSDFSHPSA-N	405.542	5.275	30	20	HKED	
C=CCC[C@H](NC(=O)N(CC)[C@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1	460931672	LVABYMVBZLTYOS-OALUTQOASA-N	412.496	5.702	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	463748840	MBNGOCYUMGWDCO-AWEZNQCLSA-N	413.518	5.457	30	20	HKED	
CC[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(C(F)(F)F)cs1	465260858	URMOYDXCROILRW-QGZVFWFLSA-N	415.440	5.582	30	20	HKED	
Cc1cnc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)s1	466117229	PMWPWZYJIXGEOD-HXUWFJFHSA-N	404.495	5.388	30	20	HKED	
CN(Cc1ccccc1-c1ccccc1)C(=O)Nc1ncccc1OCCCC#N	466598983	SPLSHDSVYNPLRH-UHFFFAOYSA-N	400.482	5.095	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1C	467113552	BOOPHUGLQNLKOR-SFHVURJKSA-N	412.493	5.318	30	20	HKED	
COc1ccc2oc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c(C)c2c1	469135187	WFUOQIAHBPUJFS-QGZVFWFLSA-N	417.509	5.506	30	20	HKED	
C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc2cccc(F)c2o1	473876544	PMAKMFHTZYXYOY-VIFPVBQESA-N	412.305	5.159	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(OCc3ccccc3C#N)cc2)n1	474437804	ZEGZSIGWUGSWGW-HXUWFJFHSA-N	401.491	5.207	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nn(CCCCC)c(=O)c2ccccc12	476078180	GRWTWTYCPFLKBX-UHFFFAOYSA-N	417.553	5.691	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(-c4csc(C(F)(F)F)n4)cc3)CC2)cc1	477706990	XBVANPYVWTURRL-UHFFFAOYSA-N	413.424	5.371	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	480599449	ZDIZCLIXBWNKDR-MRXNPFEDSA-N	403.841	5.045	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C	483938631	JHSBEUIWMXFJRT-UHFFFAOYSA-N	406.530	5.951	30	20	HKED	
N#Cc1ccc(F)cc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1	489432397	HXVWVEUNGBUTMM-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1ccc(C(F)(F)F)cc1	489756184	RXBCHGFKMWXQPL-XYJFISCASA-N	402.407	5.399	30	20	HKED	
Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	491138066	RCZOJPVBLSRDFL-DEOSSOPVSA-N	405.542	5.207	30	20	HKED	
CCc1sc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1Br	496355193	GETPNIGNPAZQSB-VIFPVBQESA-N	424.270	5.308	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cc1	497808466	PLBJITIURXPEJV-YADHBBJMSA-N	418.443	5.352	30	20	HKED	
CCOCCOc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	499164650	QGPLWTRFORPUHK-IBGZPJMESA-N	406.507	5.024	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(OCc3cccnc3)cc2)n1	499363623	TVCZDFZBCPJHKU-UHFFFAOYSA-N	415.440	5.547	30	20	HKED	
CCCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@@H](C)c1cc2ccccc2o1	501617659	MCVJNCBXMBQMRR-SFHVURJKSA-N	420.509	5.472	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-c3nc[nH]n3)c2)cc1Cl	502213924	SPPDVMKQFPFLRC-FQEVSTJZSA-N	413.868	5.033	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	502366331	NQKDLPRGBYCYHY-OYHNWAKOSA-N	408.860	5.024	30	20	HKED	
C[C@H](Cc1cccs1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	502990322	OBRWOAPPGVKRRB-QRWLVFNGSA-N	409.942	5.810	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	503225116	JIKRBDYUXMLDOS-UHFFFAOYSA-N	403.438	5.020	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nc2cc(Cl)ccc2s1	503428838	MGTBNSRLAXJGLH-GOSISDBHSA-N	419.893	5.414	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1	505036770	ZGLUWLCXWQIWAS-UHFFFAOYSA-N	418.463	5.010	30	20	HKED	
N#C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	505986420	IUYZBIDAFGHCPD-HNNXBMFYSA-N	405.763	5.008	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1	506826203	ZETLAECUTSONKL-UHFFFAOYSA-N	420.538	5.290	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1	510299575	QXSLNSHTFFLWMS-UHFFFAOYSA-N	424.382	5.473	30	20	HKED	
Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	510609093	OYTCCFJGXMYBDL-RUZDIDTESA-N	411.505	5.449	30	20	HKED	
COc1ccc(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1OCCCC#N	512674483	WPSXYMXSLAKRHA-UHFFFAOYSA-N	421.516	5.378	30	20	HKED	
Cc1sc(NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)c(C#N)c1C	515160196	IGNNQXYHYMHXIR-INIZCTEOSA-N	407.333	5.041	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCOc1ccc(Cl)c(Cl)c1	518140369	MPTUMMJGGVOHBN-ZDUSSCGKSA-N	409.338	5.653	30	20	HKED	
Cc1cccc(OCCN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	518904265	FTBXHCATBBWPCQ-UHFFFAOYSA-N	400.478	5.004	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC	521092946	KDVWIGLNWISUID-UHFFFAOYSA-N	402.450	5.123	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	521329202	WQPHABLTRBTKAN-HKUYNNGSSA-N	411.546	5.071	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccnc2ccccc12	522952401	JVLTYXRDGSSOCH-UHFFFAOYSA-N	408.461	5.174	30	20	HKED	
CCc1cccc2c(CCNC(=O)Nc3ccccc3SC[C@H](C)C#N)c[nH]c12	523594317	IKTUXMXEKLAGOC-MRXNPFEDSA-N	406.555	5.346	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)C1	524194670	HHCDTTXRCMBBFX-IVZQSRNASA-N	422.579	5.039	30	20	HKED	
CC(C)[C@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	524484067	FYCCPKKUVPCJPO-QFIPXVFZSA-N	405.542	5.622	30	20	HKED	
N#Cc1ccc([C@@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)C(N)=O)cc1	524535121	QANLUOJXQNKBGM-JOCHJYFZSA-N	411.486	5.199	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	525538586	LUOBANIELSENJJ-WOJBJXKFSA-N	404.416	5.679	30	20	HKED	
N#Cc1cn(CCOc2ccc(Oc3ccccc3)cc2)c2ccc(Cl)cc2c1=O	525630354	KJTCPWRRUFMVBE-UHFFFAOYSA-N	416.864	5.398	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)Nc2cc(CC#N)ccn2)cc1	531670847	KDMHHLJQOJMICE-UHFFFAOYSA-N	424.529	5.428	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	533299859	NRHUGWHLEXSLKB-SLFFLAALSA-N	407.583	5.206	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21	533487558	FOXDGDKSRBDQOE-VGOFRKELSA-N	405.567	5.171	30	20	HKED	
CCCC[C@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1	540596318	SDFDOCOFAZRLSZ-DVECYGJZSA-N	404.558	5.007	30	20	HKED	
Cc1cc(NC(=O)N(CCC#N)Cc2ccco2)nn1-c1ccc(Cl)cc1Cl	540829448	CWFJLSYHIDESMN-UHFFFAOYSA-N	418.284	5.028	30	20	HKED	
CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1c(C)nn(C)c1C	541119202	CFIFBEPPFXLPNH-HJPURHCSSA-N	415.541	5.087	30	20	HKED	
C[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-c2cccc(C#N)c2)cc1	542945250	NTIFYTIIVQIYFQ-INIZCTEOSA-N	414.896	5.779	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	543008643	ASXKRPKCAQTMEI-CYFREDJKSA-N	417.553	5.467	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1CCc1ccccc1	543593615	BAVJWSHAJBYVIP-FPOVZHCZSA-N	407.583	5.958	30	20	HKED	
COc1cc(C)c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	543914913	YAKGJBCHBXFCRJ-QGZVFWFLSA-N	415.493	5.434	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	545297624	WWASFCGONACZBW-UHFFFAOYSA-N	403.825	5.137	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCN1Cc1ccccc1	546834609	XDWZTUMSFKJBRK-PZJWPPBQSA-N	422.598	5.067	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H]3CCCCC[C@@H]3c3ccc(Cl)cc3)o2)cc1	551424628	MHDXNNLTFDOKCN-RTWAWAEBSA-N	406.917	5.468	30	20	HKED	
C[C@H](Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc(C#N)cc1Cl	551573242	XYCCXAUYEHEFBT-NSHDSACASA-N	407.873	5.089	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	557605527	AFBHQHVPEBCVMB-QGZVFWFLSA-N	407.480	5.581	30	20	HKED	
Cc1cccc(CCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	558288018	KKYXGDPEYHRGLW-QFIPXVFZSA-N	418.928	5.453	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1)C2	564568982	ZWVJCBSNRRSGTF-JAXLGGSGSA-N	410.905	5.146	30	20	HKED	
FC(F)(F)CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)CC(F)(F)F	565696930	NYTOAHILTUXUNC-UHFFFAOYSA-N	421.263	5.072	30	20	HKED	
C=CCC[C@@H](C(=O)N(C)c1ncc2c(n1)-c1ccccc1SC2)c1ccccc1	565857403	BBVCNLJFGIHSNJ-LJQANCHMSA-N	401.535	5.462	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1)C(F)(F)F	569312374	BCFUVZFVCWZOKV-AWEZNQCLSA-N	400.322	5.430	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1F)c1nc(O)c2c(-c3cccs3)csc2n1	576322391	YNIJTFGYYRKONX-SNVBAGLBSA-N	413.524	5.989	30	20	HKED	
C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1	576613397	YKEFFDIKYNKARJ-IBGZPJMESA-N	415.493	5.172	30	20	HKED	
COC(=O)c1sc2ccccc2c1CNc1ccccc1Oc1ncccc1C#N	577195380	UDWWBLQKLAOTEX-UHFFFAOYSA-N	415.474	5.359	30	20	HKED	
C[C@H](NCc1cc(C#N)ccc1Br)c1ccc(Br)cc1F	580500517	PGTQYXJRIUOAMR-JTQLQIEISA-N	412.100	5.073	30	20	HKED	
C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cc2ccccc2o1	603649981	LYHVYBZZJRWAIR-AWEZNQCLSA-N	402.479	5.234	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	608995210	CIRRUMOHOQEGSH-FQEVSTJZSA-N	413.521	5.599	30	20	HKED	
CC(C)[C@H](C)N1Cc2cccc(N[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c2C1	609041048	BMZMQHQSOSGWIU-HOTGVXAUSA-N	410.949	5.011	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CSCc1ccc(C#N)cc1	609064994	WPMFLHSLGIRJBE-UHFFFAOYSA-N	420.509	5.457	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccccc1-c1ccccc1	609378888	HJVRPZUDAWKNOX-QGZVFWFLSA-N	408.548	5.406	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H]2CCSc3c(F)cccc32)c1	609432737	NZZVMWAENQZSNN-HSZRJFAPSA-N	404.510	5.603	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1	609438073	AWEWYJMMWYGIDS-SJORKVTESA-N	407.539	6.442	30	20	HKED	
CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1	609499323	IWFLDRAPEHZSQO-KRWDZBQOSA-N	418.459	5.736	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)NCc3ccc(C#N)cc3F)cc2c1	610101324	YVGAOLQYBYIVNS-UHFFFAOYSA-N	417.440	5.257	30	20	HKED	
CCCCCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1OC	610348058	VFDPPMKYNJMCCF-ZWKOTPCHSA-N	409.530	5.257	30	20	HKED	
Cc1cnc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(Br)c1	611094668	UFTOLNUVEFVYRL-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc(-c2ccccc2C)n1Cc1ccco1	614400966	UAZORYLVTDMSSN-UHFFFAOYSA-N	400.507	5.367	30	20	HKED	
Cc1ccc2oc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2c1	617898165	RSPFKOHDEYLQDQ-ZDUSSCGKSA-N	400.381	5.860	30	20	HKED	
C=CCc1cc(CNC(=O)N(CCC)[C@H]2CCc3ccccc32)cc(OC)c1OC	622949812	GXBQYBUKGDVJQS-QFIPXVFZSA-N	408.542	5.041	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1Cl	642602528	OZIGLHVODOIUMZ-PGGWPXBNSA-N	406.913	5.329	30	20	HKED	
C=CCC1(c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)CCC1	685229141	MIEQYZODLUSROH-UHFFFAOYSA-N	413.521	5.524	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1	725830208	ANVYLWUPSYRHMH-UHFFFAOYSA-N	409.755	5.046	30	20	HKED	
N#Cc1ccccc1NC(=S)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@@H]21	727702276	ALIHBVBJSQSRNO-JHVJFLLYSA-N	401.539	5.137	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	729069965	JRQMMSNKRMRNRY-BBRMVZONSA-N	402.441	6.075	30	20	HKED	
N#C[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccc(OCc2ccccc2)cc1	729370799	WXAIDDJNQFQGEP-FYUFWLIQSA-N	419.484	5.208	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	731332157	FBFWXZFTAUVAKS-DPCFLFMUSA-N	408.523	5.306	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C\c1ccccc1OC(F)(F)F	731348993	FQUIZZUCXVPVFY-IWMPZKFUSA-N	406.429	5.631	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(-c2ccccc2)cc1	731352418	XHIMDMVHPBMQPH-GOSISDBHSA-N	401.535	5.798	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1	731645386	LBWDKNCFGSYPIE-KRWDZBQOSA-N	419.403	5.047	30	20	HKED	
N#CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1	735084095	DRJWWWUIPDHJJV-OAQYLSRUSA-N	424.287	5.667	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c1	737564761	BPKAOUSLGJXPGP-HNAYVOBHSA-N	404.432	5.196	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)cc1OC	741294577	FGYLWJIQCYBRGT-QAAVPBIRSA-N	405.450	5.233	30	20	HKED	
C#CCOc1cc(F)ccc1NCc1cccc(NC(=O)c2ccccc2Cl)c1	742376385	QQVADLAHJQLGQA-UHFFFAOYSA-N	408.860	5.356	30	20	HKED	
Cn1cc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)cn1	744034122	ADPKMLWBEHYBGD-IBGZPJMESA-N	418.909	5.354	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	746139653	ZLPIXLZMWSOESE-GXTWGEPZSA-N	418.349	5.472	30	20	HKED	
CCOc1cc(/C=C\C(=O)C2CCCCC2)ccc1OCC(=O)Nc1ccccc1	747003678	LURUXXKFTKPMDW-SQFISAMPSA-N	407.510	5.265	30	20	HKED	
Cc1nc(Cl)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	748520556	HERSNQVNOGVWKU-OAHLLOKOSA-N	402.306	5.666	30	20	HKED	
N#Cc1ccccc1NC(=S)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	760284517	LDFSTSVFWGDUNU-UHFFFAOYSA-N	420.365	5.243	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(SC4CCCC4)cc3)CCO2)c1	761838549	KMRSYTPZIJEFNO-QFIPXVFZSA-N	407.539	5.198	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	765139232	WKVFDYKEQVRKKN-ISJGIBHGSA-N	411.505	5.384	30	20	HKED	
COCCn1nc(C)c(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C	765611786	AIPFIPHCGNXGOD-SNAWJCMRSA-N	420.353	5.080	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	766326305	SENCOQVGTCNALM-HNNXBMFYSA-N	412.461	5.251	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC[C@@H](C)c2cccc(Br)c2)ccc1OC	767382360	IDDVDXRWOKUIDH-DNVCBOLYSA-N	417.347	5.032	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc34)CC2)cc1	767970866	KWZNOCTZVJAZDO-UHFFFAOYSA-N	416.484	5.098	30	20	HKED	
N#Cc1cc(N[C@@H](Cc2ccc(F)cc2)c2ccccc2)ccc1N1CCC(O)CC1	774300549	MKFTVCOTHIKYSD-VWLOTQADSA-N	415.512	5.054	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)Cc2ccccc2CC#N)cc1Cl)c1ccccc1	777384298	UINKNEPICSIJBK-KRWDZBQOSA-N	403.913	5.760	30	20	HKED	
COc1cc(-c2ccccc2)ccc1/C=C\C(=O)c1ccc(OC)c(NC(C)=O)c1	781109741	AIPLAJZOCGXJEB-QBFSEMIESA-N	401.462	5.225	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)cc1	789649316	NAPAGPMXZYAIAF-LPHOPBHVSA-N	421.440	5.224	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1	789718950	LOBOCEVVUMUFAP-UHFFFAOYSA-N	408.542	6.067	30	20	HKED	
C[C@]12CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C[C@@H]1C2(Cl)Cl	791198138	YLHHLIFYMMVGKO-ICSRJNTNSA-N	401.293	5.006	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C(F)(F)F)s1	796779434	MIIAJXBEAOHRBU-JTQLQIEISA-N	420.384	5.043	30	20	HKED	
O=C(O)C(=O)/C(=C\c1ccc(SC(F)(F)F)cc1)c1ccc2ccccc2n1	797006272	JKZAEHCLKJOYKO-PTNGSMBKSA-N	403.381	5.041	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799363903	TXRRURPCZYHURM-HNNXBMFYSA-N	419.462	5.289	30	20	HKED	
N#CCSCCCOC(=O)c1oc2ccccc2c1CSc1cccs1	805428004	WITIBKHHEOYOAQ-UHFFFAOYSA-N	403.550	5.590	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C\c3nc4ccccc4n3CC#N)c21	806561830	AOVNBAGPMWVZAJ-QXMHVHEDSA-N	400.482	5.028	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3sccc3SC(F)F)cc2)ccn1	810822333	WRWXZVKCHLFDOX-UHFFFAOYSA-N	403.435	5.374	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2c(s1)-c1ccccc1CC2	916936203	DDBRBCIKIIIFMT-INIZCTEOSA-N	424.884	5.267	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)oc2ccc(Cl)cc12	916936421	KFXKDASCHDNALY-CYBMUJFWSA-N	405.212	5.148	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(CCC)Cc2ccc(C#N)cc2)c1=S	917457181	BXCLCMVPWQOHTR-UHFFFAOYSA-N	421.545	5.148	30	20	HKED	
COc1ccccc1-c1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)no1	919825508	JAUTZSLPTCFOTP-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)s3)n2)cc1	920108114	ACJLTKLALISJAC-ZDUSSCGKSA-N	415.927	5.049	30	20	HKED	
Cc1cccc2[nH]cc(C=Nn3c(S)nnc3COc3ccc(C(C)(C)C)cc3)c12	920364803	FEVQCRLLCNYXMT-UHFFFAOYSA-N	419.554	5.115	30	20	HKED	
C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1	921216973	DAPFZIZDIGBMIC-IRXDYDNUSA-N	412.917	5.323	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)c(C)cc4OC)CCC3)cc2)C1	1785810387	PWRKTRHFCQYVBL-UHFFFAOYSA-N	418.537	5.026	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C)c4)cc3)CCC2)C1	1786615151	JVAULAWJMPMFQL-UHFFFAOYSA-N	402.538	5.028	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1	1791298586	DUZIAGIODSIGGQ-UHFFFAOYSA-N	424.447	5.392	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1	1791946463	UCORHYCDLGBMHD-JOCHJYFZSA-N	406.526	5.033	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1	1799621196	DRJTXKUTSZDWCT-BCDXTJNWSA-N	421.368	5.014	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)CCCCC)CC1	1831468484	PFITUFDVFKRVFU-GMAHTHKFSA-N	402.623	5.016	30	20	HKED	
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1	4516619	TZSXQCSYEYXWST-OSPHWJPCSA-N	419.550	5.544	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(F)cc1	7736951	BTGSKFVJQJGHCO-CYBMUJFWSA-N	416.909	5.043	30	20	HKED	
CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(N(C)C)cc2)cc1	10170720	DWVHVHRRJHDMFP-UHFFFAOYSA-O	418.586	5.214	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1cc(C)cc(C)c1	10172701	JKTKTIAQUCRBIW-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1	20053106	NENRZYPIWBVKFA-UHFFFAOYSA-N	422.535	5.227	30	20	HKED	
C=CCN(C(=O)Cc1coc(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1	27450992	YODNLNJBCPLXKN-UHFFFAOYSA-N	401.491	5.227	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc2c(s1)CCCC2	29567535	NWMALICVKNFTHZ-UHFFFAOYSA-N	417.534	5.107	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1	29963884	IWJLZUACTGOFLT-UHFFFAOYSA-N	416.477	5.155	30	20	HKED	
Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2c(F)cccc12	33196090	DGAYZHRCUBZCQV-NXEZZACHSA-N	411.317	5.520	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(C(C)(C)C)o1	41648385	KLLVVKVCJHDJHL-UHFFFAOYSA-N	418.950	5.274	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nc2ccccc2c1=O	54642047	QINFGUKWZVTXQC-ZDUSSCGKSA-N	412.465	5.181	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1c(CC)ccc(Cl)c1CC	63389179	HVYUKSXZUNMRML-UHFFFAOYSA-N	401.894	5.593	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1Cl	79357225	TYZFLUJZMGZWHP-LADGPHEKSA-N	416.908	5.638	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccc(Cl)cc2Cl)cc1	107830059	XWSQOKDPGKMAJQ-UHFFFAOYSA-N	415.242	5.389	30	20	HKED	
COc1ccc(Br)cc1-c1nc(CSc2ccc(C#N)cc2)cs1	110971497	ROIIIACWMGEPAM-UHFFFAOYSA-N	417.353	5.745	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC(F)(F)C1	409940829	DGFKLBHMVNCDAQ-YPMHNXCESA-N	403.313	5.641	30	20	HKED	
Cc1cc(C2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)ccc1Br	429263219	XEVIMAJOXJKINK-UHFFFAOYSA-N	412.331	5.235	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1	431139853	OZFWCDWFIYJBIX-GOSISDBHSA-N	419.319	5.181	30	20	HKED	
CN(C)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(C(F)(F)F)c1	432708833	ZRTQTVQQEFXGAV-SFHVURJKSA-N	404.436	5.328	30	20	HKED	
CCOC(=O)c1c(CN[C@@H](CCCC#N)c2ccccc2)nc2ccccc2c1C	433018681	ITMZPZBLKTZUMZ-NRFANRHFSA-N	401.510	5.245	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1Cl	435106705	CTGMICUYSXWJOG-FQEVSTJZSA-N	419.916	5.130	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)n1	437409448	RPXFHBKRNQEUCQ-KRWDZBQOSA-N	405.454	5.704	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cc1Cl	439301481	HCCMCOIOLLTXBT-CNNODRBYSA-N	423.944	5.276	30	20	HKED	
C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1ccc(F)cc1Cl	439541903	MVWAADMUARLISH-JTQLQIEISA-N	414.836	5.213	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(C(F)(F)F)cc3Br)CC2)cc1	445790120	MPOXRVYGGNJNNB-UHFFFAOYSA-N	409.205	5.010	30	20	HKED	
CCc1noc(CC)c1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	446291806	CROSSOZJSCWZCN-UHFFFAOYSA-N	409.873	5.047	30	20	HKED	
O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CC[C@@H](CC(F)(F)F)C1	446369786	OLRWKDJPACCDQQ-UFBFGSQYSA-N	406.729	5.066	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1	448069971	HTENUEUREBNJOE-UHFFFAOYSA-N	404.308	5.375	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1)c1ccccc1	460387718	QBDAYLSSBOMRHV-SJORKVTESA-N	422.451	5.119	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1	461666878	CDLNHENVTHFDBT-UHFFFAOYSA-N	408.889	5.260	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)c1ccccc1Sc1ccccc1C#N	464662255	GWZCDFDXDSGGJJ-UHFFFAOYSA-N	413.424	5.684	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1Cl	466072589	BRVVSPDFPHMVHC-QHCPKHFHSA-N	419.912	5.151	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(C(F)F)c1	468304598	FOKGRJXXIFMGAT-UHFFFAOYSA-N	414.399	5.830	30	20	HKED	
CC[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	468599530	RGUBIZJVLXJTLN-QWRGUYRKSA-N	410.280	5.339	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)cc1Br	471271343	ATCNFOKIVIJTFX-LLVKDONJSA-N	409.736	5.607	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)oc2C(F)(F)F)cc1	471772593	RPBOFQVYYQFBDP-UHFFFAOYSA-N	416.355	5.532	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](c1ccccc1)C1CCCC1	476365618	OSQCGZHMUGILNP-MHECFPHRSA-N	407.583	5.398	30	20	HKED	
C[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]1c1ccccc1	480388166	XQGUFNCNMSRDOG-UQBPGWFLSA-N	411.505	5.557	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1C(F)(F)F	481248920	FAMYKICUQRAOSY-KRWDZBQOSA-N	414.387	5.477	30	20	HKED	
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	481691977	AJTQUGXMJSTFQK-WEYGHZABSA-N	411.933	5.010	30	20	HKED	
CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H]1CCc2ccccc21	481709613	DEVMAKVCIDUBDY-QHCPKHFHSA-N	415.468	5.428	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nccc4ccccc34)cc(-c3ccco3)nc21	483198335	LMDSTVKUCKZEGE-LJQANCHMSA-N	421.460	5.310	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	484550806	YMXHTZGIACLVPZ-GOSISDBHSA-N	411.511	5.809	30	20	HKED	
CCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1ccccc1Cl	485317314	KUZJVMNZYAAPOI-GOSISDBHSA-N	407.905	5.255	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)N(CC)CC)c3ccccc3)o2)cc1	489763827	VLSTVJAUJMBKIO-HXUWFJFHSA-N	423.538	5.003	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1ccc(C(F)(F)F)cn1	491954208	DEVZTUGFDUYABQ-MRXNPFEDSA-N	418.321	5.661	30	20	HKED	
COc1ccc(-c2nc3cc(Br)ccc3s2)cc1OCCCC#N	493949219	KBANWBIATGPYJQ-UHFFFAOYSA-N	403.301	5.417	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1	499377428	LCCLRESRQMJTIN-UXHICEINSA-N	421.294	5.251	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ncc(-c2ccccc2F)o1	501024262	WIJKWSXFIFGQSJ-UHFFFAOYSA-N	415.424	5.111	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	502366330	NQKDLPRGBYCYHY-NYHFZMIOSA-N	408.860	5.024	30	20	HKED	
C[C@@H](Sc1nncn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	504516398	UEZPDQQFHOPDEM-SSDOTTSWSA-N	423.304	5.731	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1	505626132	OSFKJPPPRUEAPP-MRXNPFEDSA-N	404.491	5.478	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	505966352	QCNUHGGKSCQTLC-CYBMUJFWSA-N	407.442	5.194	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(OC(F)F)c1	506989195	VIQXSZXKYZPYLC-WBVHZDCISA-N	405.832	5.245	30	20	HKED	
CC1(C#N)CCN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1	507826968	QBSRXQBOZOEBSW-LJQANCHMSA-N	402.922	5.465	30	20	HKED	
Cc1ccccc1[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	508244492	ZDHLKBALEMETPU-NRFANRHFSA-N	424.504	5.140	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c(C)c1	510180717	MMDZEKAODHJTAD-SFHVURJKSA-N	401.535	5.665	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccn(-c2ccccc2)n1	510679620	HNENSZJNLCFMLI-UHFFFAOYSA-N	423.476	5.166	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1	511838134	LOZRNVRNMREISY-UHFFFAOYSA-N	409.514	6.160	30	20	HKED	
CN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1c2ccccc2-c2ccccc21	513113066	JCBCZHDHCRXFCO-UHFFFAOYSA-N	423.451	5.117	30	20	HKED	
COCc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	515794975	PHDHCXOIOIIOFZ-UHFFFAOYSA-N	421.884	5.472	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)ccc3OC(C)C)s2)cc1	517656427	XOIVJJZUCKSTQK-UHFFFAOYSA-N	407.495	5.038	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OC(F)F)c1)c1nc(-c2c(F)cccc2F)cs1	518872386	BVRGZVSVGWDAJD-GFCCVEGCSA-N	406.360	5.180	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	521259584	PKGPLNIOWNOYRB-APWZRJJASA-N	423.538	5.079	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCCC4(CCCCC4)C3)c2)cc1	523629378	SKSAYAJWOYOMKW-UHFFFAOYSA-N	417.553	5.910	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CSc2ccccc2)cc1	524286169	NLUHYCNBZJEECR-UHFFFAOYSA-N	416.546	5.139	30	20	HKED	
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(C(F)(F)F)CC1	534126299	FMJMXZJTKXIHMW-VIFPVBQESA-N	409.292	5.174	30	20	HKED	
O=C(CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F	539279485	DRDPNRSPNHOASB-HNNXBMFYSA-N	408.317	5.066	30	20	HKED	
Cc1c(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)sc2ccc(C#N)cc12	550176996	LISHOQBNGWYFRN-GOSISDBHSA-N	414.889	5.088	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cnc2ccc(Cl)cc2c1	550991239	XGKUNQDYABDXPA-AWEZNQCLSA-N	411.914	5.300	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1	553055196	WONXRWBUWUMKIG-FGZHOGPDSA-N	402.494	5.276	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](CC)c2cccc(OC)c2)cc1	554750347	JRSICQYTLIKBAI-QHCPKHFHSA-N	421.541	5.124	30	20	HKED	
C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(Oc2cccnc2)cc1	568077891	VFSPNMIQOGBAFO-LJQANCHMSA-N	424.504	5.623	30	20	HKED	
COCC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	569479744	HEXRVCVJEIRDTJ-OXQOHEQNSA-N	405.325	5.275	30	20	HKED	
Cc1ccc2sc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2c1	570132913	CGFXXRLNERTVNC-AWEZNQCLSA-N	419.531	5.289	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C2CC2)cc1	571812336	IHVOYVXBQDKNGE-QHCPKHFHSA-N	414.465	5.027	30	20	HKED	
N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2cccc3ccccc23)sc2c1CCC2	581147352	ABKOLLJKZVIWCE-JOCHJYFZSA-N	415.562	5.427	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c1	589382201	MLAWSBODZMQQAN-UHFFFAOYSA-N	418.522	5.057	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)c1ccco1	602788875	WTPVYNVXIIUDFT-UHFFFAOYSA-N	419.506	5.295	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2csc(C)n2)s1	603801886	UWBRFHXEBGAUJV-UHFFFAOYSA-N	410.568	5.174	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)o1	603864615	OCZGMBSYJUAMMU-UHFFFAOYSA-N	402.450	5.304	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(F)c(Cl)c2)cc1	604003109	CARJWEKOOFAIAH-UHFFFAOYSA-N	424.859	5.142	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1cccc(F)c1F	607464616	XOAWYMVRMZFWAN-YQPPGCHHSA-N	415.324	5.094	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	609032280	ZRXDSCQLGCWTDI-IRXDYDNUSA-N	405.350	5.018	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1	609066313	FXPRPCZOEAPASH-UHFFFAOYSA-N	417.799	5.039	30	20	HKED	
Cc1c(C(=O)Nc2cc(C#N)ccc2OC(F)F)oc2ccc(Br)cc12	609068511	VAOURLALIYRNJP-UHFFFAOYSA-N	421.197	5.229	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](C)c1ccc2ccccc2c1	609384716	LBCMIBXSAJQHNI-ROUUACIJSA-N	403.551	5.381	30	20	HKED	
COc1ccc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc12	609429286	SQULJCCPHWBQCT-OAHLLOKOSA-N	412.536	5.043	30	20	HKED	
Cc1cc(Cl)ccc1OCCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N	609435235	ZYSVZCSJSCADKP-INIZCTEOSA-N	417.962	5.633	30	20	HKED	
CC(C)n1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	610015574	MLYHVTHIZDKTQD-HXUWFJFHSA-N	407.905	5.095	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cccc(C#N)c1	610210653	GCENYNLKHAAHRV-UHFFFAOYSA-N	412.468	5.856	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1	610356936	CUWQSGHFFMAXGM-BXKMTCNYSA-N	417.484	5.050	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)C1CC1	611097817	AYWATDXBJVHPBU-ZDUSSCGKSA-N	413.909	5.204	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1ccccc1	611840546	ABJHQJGCIUWLMQ-FQEVSTJZSA-N	405.889	5.012	30	20	HKED	
CCOc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	614470938	UPRQGAKPDBMNTI-INIZCTEOSA-N	417.317	6.006	30	20	HKED	
COc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(OCc2ccccc2)c1	615212470	ZIHAGSXHOUFAEF-UHFFFAOYSA-N	411.461	5.005	30	20	HKED	
CCn1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	616778076	FWOLDJQNFZVVJQ-UHFFFAOYSA-N	422.916	5.276	30	20	HKED	
Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cccc(F)c12	618301450	PYGYPCPKBXIXOQ-AOOOYVTPSA-N	413.358	5.552	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2c(F)cccc12	619756514	LZFDIGPYNGPGRU-MRXNPFEDSA-N	401.422	5.366	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=O)N[C@@H](CCC#N)c3ccccc3)c2)cn1	619806373	NMCKIPRRBPYNIC-NRFANRHFSA-N	400.482	5.232	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678768568	AMYRWDBMRJITOD-RNFRBKRXSA-N	424.719	5.649	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(OCc3cccc(F)c3)cc2)cc1NC(C)=O	726428267	IXBVNBZGFRNMPV-WQLSENKSSA-N	419.452	5.268	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)c(Cl)nc1Cl	727749318	BMSBKHYWROVAGN-UHFFFAOYSA-N	417.227	5.147	30	20	HKED	
O=C(/C=C\c1cccc(/C=C/C(=O)c2ccc(O)c(F)c2)c1)c1ccc(O)c(F)c1	728439174	WOQBZVFJKVIGDX-MVTUOISNSA-N	406.384	5.168	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C	729577107	BCGWASODMWLMQE-UHFFFAOYSA-N	421.541	5.594	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c(F)c1	729877612	MOEUJCYAHKFYPC-AWEZNQCLSA-N	424.328	5.305	30	20	HKED	
C=CCN1C(=O)/C(=C/c2cn(C(C)(C)C)nc2-c2ccccc2Cl)SC1=S	731155717	QRRSCNFRALDBFE-WJDWOHSUSA-N	417.987	5.346	30	20	HKED	
CC(=O)Nc1cccc(C(C)=NNc2ccc(Br)cc2C(F)(F)F)c1	731487223	OXURHVISHOPRHW-UHFFFAOYSA-N	414.225	5.262	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	731644983	DCHJJWDFLYILPT-CQSZACIVSA-N	404.335	5.312	30	20	HKED	
Cc1ccc(-c2ccc(CN(C(=O)Cc3ccc(OCC#N)cc3)C(C)C)s2)cc1	731979720	LXMPXKSRFKMSKB-UHFFFAOYSA-N	418.562	5.606	30	20	HKED	
CC[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732901203	NAPSLFJDJCNALU-GDBMZVCRSA-N	402.441	5.760	30	20	HKED	
Cc1ncc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	732901360	OWKTXVXXPVIAMH-LYKUJDHUSA-N	420.346	5.772	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H]1c1cccc(Br)c1)c1ccncc1	734678505	HKKRPYOQHZWTCG-MOPGFXCFSA-N	400.320	5.008	30	20	HKED	
Cc1oc2c(CN(CC#N)C3CCCC3)c(O)ccc2c(=O)c1-c1ccccc1Cl	738255955	FGDDYUBHMYTPOB-UHFFFAOYSA-N	422.912	5.396	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3cc4cc(F)ccc4o3)SC2=S)cc1Cl	743281964	HXKYNPRFUAVCGM-IUXPMGMMSA-N	414.870	5.503	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	743475422	QUDUGYRLCDOQFT-FQEVSTJZSA-N	424.504	5.406	30	20	HKED	
Cc1csc([C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C2CC2)n1	743625761	OJSGLQQZQLODFH-IBGZPJMESA-N	408.552	5.002	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC3(CCCCCC3)C2)ccc1OC	745818668	DBCZGNWPALIYAR-HXUWFJFHSA-N	413.562	5.022	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)CCN1c2ccccc2Sc2ccccc21	747399151	NBJCVUCFHABCLR-UHFFFAOYSA-N	401.491	5.198	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(Cl)c1	750691866	BTRNMGHETGKGBL-SZJVNEJHSA-N	403.894	5.615	30	20	HKED	
COc1ccc(CN[C@H]2CCOc3c2ccc(Cl)c3Cl)cc1OCCCC#N	752983589	MVVNKTSDUHYDDS-KRWDZBQOSA-N	421.324	5.298	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1c(Cl)cc(C#N)cc1Cl	754415394	DIHPZEJMDFBOOE-VIFPVBQESA-N	402.108	5.533	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3cccc4ccccc34)C2)c1	758495149	MBIPMOHLOCRSRO-JOCHJYFZSA-N	411.505	5.130	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(-c2ccoc2)c1	760571195	HNBZSKQLTYNBIQ-MRXNPFEDSA-N	420.490	5.136	30	20	HKED	
Cc1nc([C@@H](C)ON=CC(=O)Nc2ccc(F)cc2F)oc1-c1ccc(Cl)cc1	763178638	DLQKKUWXWYSNDG-GFCCVEGCSA-N	419.815	5.284	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)cc1	765128115	ZNDVLYUXYSSRLR-GOSISDBHSA-N	424.928	5.192	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)c(OCc2cccnc2)c1	766489588	FRRSAOPDYVSIQP-LUAWRHEFSA-N	422.484	5.627	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	768146085	HXBZSEXUBXCFAZ-HXUWFJFHSA-N	415.921	5.502	30	20	HKED	
Oc1nc2ccccc2cc1C=Nc1cccc(Oc2ncc(Br)cn2)c1	769773341	DIIFDIZTUJUZTA-UHFFFAOYSA-N	421.254	5.036	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	772230655	NCUBZTYRDMXJIP-INDWIESVSA-N	403.526	5.011	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NCc2cc(Cl)ccc2OCC#N)cc1	775253571	WRSLBUSTZUOCOC-QHCPKHFHSA-N	424.903	5.464	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](CC)c2cc(Br)ccc2O)c1	775523436	KSGUXZPXPTWLKU-QFBILLFUSA-N	403.320	5.077	30	20	HKED	
COc1ccccc1[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl	776164659	VSJOCECULKVMGO-BXKMTCNYSA-N	406.913	5.691	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)OC2CCC(Nc3ccc(C#N)cc3C)CC2)s1	779235506	PTSWKQCPYVIPDS-FAEJEUNOSA-N	413.543	5.001	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	780512195	AXCWIOWAXQOYFX-CYBMUJFWSA-N	424.844	5.120	30	20	HKED	
N#CC1(COC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)CCOCC1	780540346	AROCOPSYWDMCBJ-UHFFFAOYSA-N	406.265	5.263	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1Cl)c1ccccc1	780927626	JHOLUNIOZWTCQR-OYHNWAKOSA-N	405.885	5.057	30	20	HKED	
CCC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	783352767	HXASACKZBNARKJ-HXUWFJFHSA-N	412.445	5.033	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCCN1c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	786322694	LCBWFYPKWJCEIC-RDJZCZTQSA-N	415.440	5.160	30	20	HKED	
C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc2occc2s1)c1ccc(Cl)cc1Cl	787049273	KYDKWSVTWDBLLI-SKDRFNHKSA-N	407.278	5.001	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@H]3CC4(CCC4)C(=O)O3)n2)o1	790260809	ULLMCMADWHZHHK-GFCCVEGCSA-N	422.428	5.118	30	20	HKED	
C#CCOc1ccc([C@@H](C)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	793568639	NMQVIIMRWFACDP-HXOBKFHXSA-N	417.471	5.536	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C\C(=O)c1cc(Br)ccc1F	794701116	ITGUVEUNXZFNGE-VURMDHGXSA-N	420.669	5.027	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1	796741216	FEWBDSADJXULAC-KSSFIOAISA-N	415.333	5.940	30	20	HKED	
Cc1oc(NC(=O)COC(=O)c2sc3cccc(Cl)c3c2Cl)c(C#N)c1C	913332084	ZTSBAAYPBVVAMW-UHFFFAOYSA-N	423.277	5.085	30	20	HKED	
Cc1[nH]c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1C(=O)OC(C)C	915086214	IQQCDORKKPAKNM-NRFANRHFSA-N	415.493	5.105	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	916902173	VKEWMPGUKGHNNW-MRXNPFEDSA-N	415.301	5.683	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1C(C)C	916904483	DULPDBYRKJPESX-OAQYLSRUSA-N	415.493	5.439	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1	916906198	CNCOWZWQPPQPGW-HXUWFJFHSA-N	416.502	5.470	30	20	HKED	
Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917045178	YCXIPXBXWWMIDL-HNNXBMFYSA-N	418.440	5.659	30	20	HKED	
CCCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1	917559743	NIVGRJJNDKVBPJ-KAMYIIQDSA-N	424.953	6.330	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	920003962	YCABIKXUMVNGCX-HXUWFJFHSA-N	401.853	5.150	30	20	HKED	
CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1	1788649840	YZERFWFRCGHRSN-FLVLSHQESA-N	424.566	5.057	30	20	HKED	
C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1	1789257188	LPIKHSCQJVZYBE-LBPRGKRZSA-N	416.593	5.029	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(C)cccc4[nH]3)cc2)CCC1	1789275148	VABWQYUUXNPGDF-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3OCC)cc2)CCC1	1790240959	XZLZVUYXARJLLO-UHFFFAOYSA-N	418.537	5.027	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCCC3(F)F)CCC2)cc1	1791250503	RLUREGNYAQMDKG-ZHRRBRCNSA-N	422.491	5.250	30	20	HKED	
CCCCOc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OCC	16440405	WKQDWBYXRHMBQV-QNGOZBTKSA-N	424.566	5.773	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)on2)nc2cc(Cl)ccc2c1=O	18956515	SETJCMYTISTXHY-UHFFFAOYSA-N	409.898	5.183	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2Cl)cc1	56037062	NRZPULVNDUEHPU-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C=CCn1c(SCc2csc(C3CCCCC3)n2)nc2sccc2c1=O	117204715	WVBWCHWJHQFMSA-UHFFFAOYSA-N	403.598	5.441	30	20	HKED	
C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1	149030484	HAAOXVRHDBRCBH-LBPRGKRZSA-N	416.333	5.408	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc2ccccc2n1C(F)F	149731137	NECUACCBDPJAFG-LBPRGKRZSA-N	412.396	5.184	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)ccc1OC1CCCC1)c1ccc(C(F)(F)F)cn1	429341733	RAEOQTXTOPNZAM-MRXNPFEDSA-N	408.807	5.565	30	20	HKED	
Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2)cc1	430359804	SHJXINQEXDFBNF-JOCHJYFZSA-N	417.896	5.020	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Br)cc1	431927593	SGSCHFIOBDUSRO-CABCVRRESA-N	417.372	5.833	30	20	HKED	
Cc1cc(Cl)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1Cl	432307277	LXGROKURZINTOM-UHFFFAOYSA-N	404.297	5.249	30	20	HKED	
CCOC1(C)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	432766917	FWGLVZPMVJWNPC-UHFFFAOYSA-N	413.905	5.427	30	20	HKED	
O=C(Nc1ccccc1OCC(F)(F)F)N[C@@H](c1cc(F)ccc1F)C(F)F	432919210	VYUAROABOLPAEO-AWEZNQCLSA-N	410.289	5.034	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N(C)C[C@H](C)C#N	438709481	QDHYSIPQPKWJPW-OAHLLOKOSA-N	407.493	5.355	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(COc2ccc(C#N)c(Cl)c2)cs1	438885667	UZJVCZPLMGVTHO-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cnn1C1CCCC1	444492867	BGZQBZRNRNLLTQ-UHFFFAOYSA-N	404.445	5.362	30	20	HKED	
CO[C@H]1CCOc2c(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)cccc21	448049311	OGAJHTYHQZTBJL-QHCPKHFHSA-N	413.477	5.017	30	20	HKED	
CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1	461491866	WNCLYLWFLSTSNO-MOPGFXCFSA-N	423.611	5.037	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(c2ccccc2F)C1	463749481	IMAPDDKJNAAFKI-UHFFFAOYSA-N	415.468	5.216	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	464514051	BQHNWCPQYGBNRQ-MRXNPFEDSA-N	404.882	5.344	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC(=O)Nc1ccccc1-c1ccccc1	464810213	DTWAIZVHWHLLKO-AHWVRZQESA-N	409.533	5.454	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c1	465670358	VQDAYFFVXHZAPA-NRFANRHFSA-N	411.839	5.079	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)cc1	468113366	LYRXXFGJRGWFRM-UHFFFAOYSA-N	420.406	5.219	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1	470947714	JMYACNFNIZKXBO-FQEVSTJZSA-N	415.880	5.112	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(c2ccccc2F)C2CCCC2)o1	471423297	VWTMXZDJIYALGC-UHFFFAOYSA-N	404.441	5.459	30	20	HKED	
Cc1ccccc1Cc1nnc(CNc2ccc(Oc3ccccc3C#N)c(F)c2)o1	471632292	BCSBGETXUWGCGC-UHFFFAOYSA-N	414.440	5.384	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1SCc1ccc(C#N)cc1	473396440	QXKPCLHMPLOBPO-KSSFIOAISA-N	404.457	5.263	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl	473469353	HMEHLWUVMCAQHU-JTQLQIEISA-N	419.330	5.185	30	20	HKED	
Cc1c(NCc2cccc(OCc3cccc(C#N)c3)c2)cccc1NC(=O)N(C)C	475351099	LABQKHHLKRZYGU-UHFFFAOYSA-N	414.509	5.151	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1	475587608	ZRRJFWVDPJNAGZ-UHFFFAOYSA-N	423.532	5.058	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccccc1	475757352	UFJNKWXZRMEPAS-AMGIVPHBSA-N	410.517	5.305	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2	476172727	ZHTFCTFLUJUFLE-UHFFFAOYSA-N	408.586	5.200	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1C	476478036	ZZFOOOKSNHHYAB-UHFFFAOYSA-N	414.505	5.636	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OC(F)(F)F)c3)n2)cc1	477873750	HXLLLUSAKJVLKT-INIZCTEOSA-N	413.380	5.070	30	20	HKED	
C=C(C)[C@H](NCc1csc(COc2ccc(C)cc2)n1)c1ccc(F)c(F)c1	479403005	WDVKDFGGLUSZLY-QFIPXVFZSA-N	400.494	5.716	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1	480566200	CBWYKTLUBPNFRK-OAQYLSRUSA-N	402.510	5.176	30	20	HKED	
C=C(C)CN(C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	481583665	HQHFBDVEMNXNKD-UHFFFAOYSA-N	409.383	5.137	30	20	HKED	
C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1sc2c(c1C#N)CCCC2	482168694	ZZNIZLUFUZGOAY-OAHLLOKOSA-N	417.534	5.295	30	20	HKED	
N#Cc1cc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)ccn1	483438265	YQRRQTIIMFHDJM-UHFFFAOYSA-N	412.499	5.187	30	20	HKED	
C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	485624511	IAHAGXVPFJTINN-SFHVURJKSA-N	402.469	5.086	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(C(F)(F)F)cs1	486808808	DITLHKIQSZMRSW-CQSZACIVSA-N	417.456	5.463	30	20	HKED	
CCOc1ccc(-c2nc(CSc3nc(C(F)(F)F)ccc3C#N)co2)cc1	488757362	YYEXTLBNJJFZJO-UHFFFAOYSA-N	405.401	5.318	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccc(C)cc3)n2)nnc1-c1ccccn1	488901518	NFKZSILZNDZCGJ-UHFFFAOYSA-N	420.567	5.327	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(C)c(C)c1	489656676	HICRPLASSLFEKV-SFHVURJKSA-N	407.539	5.023	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)cc1	489801121	CCIMADXEJWHFQE-UHFFFAOYSA-N	414.437	5.339	30	20	HKED	
C[C@H](NC(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(C#N)cc1	489838468	IYPFHZGGPARUPL-ROUUACIJSA-N	417.484	5.398	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)c2)c1	497787153	SKADHTSQZGESJM-FCHUYYIVSA-N	404.416	5.158	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N(C)Cc5cccc(C#N)c5)(C4)C2)C3)cc1	498493280	WEMFKPMKVGAIKR-AZZUFQGZSA-N	414.549	5.063	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	503217253	MYOVAAZHPOBXPC-APWZRJJASA-N	411.527	5.283	30	20	HKED	
Cc1nc(NC(=O)CCCc2ccc(Cl)c(Cl)c2)sc1SCC#N	504745203	LJEADVSBEBIGHA-UHFFFAOYSA-N	400.356	5.335	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(C)(C)c2ccccc2F)cc1	505698605	ZECXQNXNFHCBRP-UHFFFAOYSA-N	404.441	5.415	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1/C=C\c1ccccc1	505884665	JRUNNXNLTZWPPR-UNMSRYOUSA-N	405.567	5.197	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H](C)CC[C@H]1c1ccccc1	507646826	LRIWVZZHIBOZMR-LQWHRVPQSA-N	421.566	5.019	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c(C#N)c1C	511829780	LYQOAWJLBRUHKF-IXDGSTSKSA-N	419.447	5.040	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1C(C)C	512721257	SLMPXQUVSOSUKQ-KRWDZBQOSA-N	406.507	5.441	30	20	HKED	
CCN(CC)Cc1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1	513124224	PRMAZFZCEZQGMD-UHFFFAOYSA-N	413.521	5.231	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1	513142120	XZQLWKNCVHXFKJ-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
C=CCn1c(SCC(=O)N(C)C2CCCCCC2)nnc1-c1ccc(Cl)cc1	514494839	GLKIHBQWVMTNSH-UHFFFAOYSA-N	418.994	5.058	30	20	HKED	
Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1NC(=O)c1ccccc1F	515098113	GWYWCYQGQNFCGN-UHFFFAOYSA-N	407.470	5.189	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1oc2ccccc2c1CSc1ncccn1	517835663	MBENNEZVHRIFOF-UHFFFAOYSA-N	422.554	5.307	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CCc3c(C)cccc32)cc1OC	520215291	XJQVLVYTNXDRIC-LJQANCHMSA-N	402.332	5.108	30	20	HKED	
CC(C)CCOC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1	520308912	VPGFSIQXQYETBX-UHFFFAOYSA-N	406.526	5.212	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCCCOc2ccc(Cl)cc2Cl)cc1	521710444	PSSKHKOVBBRWMG-UHFFFAOYSA-N	406.313	5.385	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3	521727351	UJGNPVITABGTND-HZPDHXFCSA-N	403.551	5.797	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1	521748410	AAQDTAGWNVVOCT-CYBMUJFWSA-N	420.365	5.835	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	523185968	IVIBFKZQMJRHDH-UZUQRXQVSA-N	417.484	5.326	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC(C)(C)c1cccc(F)c1	524084276	CAEPAIOSBGFAQJ-UHFFFAOYSA-N	417.484	5.642	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1	525047879	SZADHUUYUIRWBE-KRWDZBQOSA-N	423.582	5.637	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1NC(=O)CC(C)C	525629416	CMJMBKGRQKZXKX-CQSZACIVSA-N	409.555	5.290	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c(C#N)s1	536011919	AFWALHHOEYDWHJ-UHFFFAOYSA-N	423.563	5.161	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c1	536049231	FTQVIGBMOFNSGC-UHFFFAOYSA-N	400.478	5.170	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	536239770	QALCPSRRAACVHB-XMSQKQJNSA-N	407.583	6.573	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc2[nH]ccc2c1)c1ccc(OCc2ccccc2)cc1	539395628	UNYDPBZFALBJJD-VWLOTQADSA-N	409.489	5.061	30	20	HKED	
Cc1ccc(C2(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CCOCC2)cc1	541073394	WBSJACXCRZTKAH-NRFANRHFSA-N	424.544	5.459	30	20	HKED	
COc1ccccc1-c1nc(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)cs1	541078732	NUPBFPUFIZMPCX-UHFFFAOYSA-N	421.913	5.142	30	20	HKED	
N#Cc1ccc(CN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C2CC2)cc1	543345223	LTMKWOBEPPFFBV-UHFFFAOYSA-N	420.516	5.021	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCCCC(C)(C)C#N	543506529	WKKZIIMAQQDRQA-CYBMUJFWSA-N	406.393	5.862	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N[C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)s2)cc1	543516656	KHWZBUUIVIJRFE-GDBMZVCRSA-N	422.554	5.186	30	20	HKED	
Cn1ccc([C@@H](NC2CCC(Oc3ccccc3C#N)CC2)c2ccc(Cl)cc2)n1	543599746	ZMOFHPFHYPJODV-VUNKPPBISA-N	420.944	5.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1	558798548	JPBMGRYTODUCDV-UHFFFAOYSA-N	411.521	5.040	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H]1CCOC(C)(C)C1	583052505	CITVEAOORAHGLW-GOSISDBHSA-N	411.477	5.301	30	20	HKED	
N#Cc1cccc(-c2cc(-c3nc(-c4ccc(Oc5cccnc5)cc4)no3)on2)c1	584019259	VONJOUOIBCHRPH-UHFFFAOYSA-N	407.389	5.118	30	20	HKED	
C[C@@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1F	584247146	CKYWBMZCJIJEQU-SZNDQCEHSA-N	406.423	5.535	30	20	HKED	
N#CCCCCCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1	588158737	DZNBVLVZJRXASC-UHFFFAOYSA-N	419.840	5.270	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H](C)C(=O)c1ccccc1	602164265	UNVGKJOQIVNPBI-IBGZPJMESA-N	414.480	5.448	30	20	HKED	
Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cn(C)nc2-c2ccc(C#N)cc2)c1	602757385	IILWTVPUUKBHQT-VWLOTQADSA-N	419.488	5.038	30	20	HKED	
CC(C)CN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc(C#N)cc1	603529155	URUVSRCZLAIQLA-UHFFFAOYSA-N	409.942	5.567	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1	603653373	ZVFIDSUXLUAREW-UHFFFAOYSA-N	421.447	5.414	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(C(F)(F)F)cc3)cn2)c1	603693020	SUDCQXQSIRCSDQ-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1	603972062	LAENRAQRVUBGSF-UHFFFAOYSA-N	405.306	6.143	30	20	HKED	
COc1ccc(COCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	604026823	SWFQJSUOVJOGRS-UHFFFAOYSA-N	422.868	5.168	30	20	HKED	
Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F	604098496	RJGDHZIGPIHKSG-NXEZZACHSA-N	420.300	5.191	30	20	HKED	
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	607892548	VYDYRUOLKWRXHO-TXEJJXNPSA-N	408.317	5.024	30	20	HKED	
CCCOc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl	608804937	OADZWMWLHAFZJL-UHFFFAOYSA-N	410.857	5.425	30	20	HKED	
CC(C)c1nc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1	608819509	GLLWTEWDRMSEQZ-UHFFFAOYSA-N	421.591	5.403	30	20	HKED	
CN(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	609073034	SVSYNXZJVRJYBB-HSZRJFAPSA-N	419.912	5.032	30	20	HKED	
CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1SC[C@@H](C)C#N	609402862	FOEOVUGVJVYCNG-HNNXBMFYSA-N	419.953	6.175	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H](C)c1ccccc1	609404073	SGPNCVIOYMFQCW-GOSISDBHSA-N	409.555	5.021	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1Br	609590060	BECCCGFGUQUTHG-IBGZPJMESA-N	409.283	5.023	30	20	HKED	
Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	609617245	VOFHRVMEQUTULZ-LBPRGKRZSA-N	410.861	5.492	30	20	HKED	
CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	610082984	XJDDDGANBYUUOM-LBPRGKRZSA-N	416.852	5.002	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N1CCC(C#N)CC1	610163206	DMNAOUMMKDLBGZ-UHFFFAOYSA-N	419.504	5.499	30	20	HKED	
CC(C)(C)OCc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1	610624668	RXVUWBUJLGWGTN-UHFFFAOYSA-N	404.466	5.298	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	618785354	IZIQESVQVJAIGQ-HSZRJFAPSA-N	405.457	5.298	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1ccc(F)cc1	639430774	RKQRJUVVHFMGDU-HXUWFJFHSA-N	424.545	5.050	30	20	HKED	
C=CCN(C(=O)c1ccc(OC)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	679000197	IGSPXAKXMWOVIQ-UHFFFAOYSA-N	420.321	5.353	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ncoc1-c1ccc(F)cc1	681129647	PVATZSYUBOIKDM-PJXYFTJBSA-N	424.316	5.120	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)cc1Br	727264439	RGPOZFAVJBWPCE-HJWRWDBZSA-N	400.297	5.477	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)OCc3cccc(C#N)c3)c2)cc1	727556052	OTQQUTNIFVIRJV-UHFFFAOYSA-N	413.473	5.016	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cccc(Cl)c1	728062479	KLZAOTPDSLAMIP-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
CC(C)[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1	728767259	YYTCATHTQWWVQV-IAGOWNOFSA-N	403.309	5.471	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3sccc3SC(F)F)cn2)c1	730475701	VNKYNIYVBWXPEN-UHFFFAOYSA-N	403.435	5.374	30	20	HKED	
C[C@H](NC(=S)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1Cl	731320510	KLRFEQGFVNMEJU-OLZOCXBDSA-N	424.422	6.435	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C)c(C(F)(F)F)c2)ccc1OC	733618747	BFEPSCINFNPFME-INIZCTEOSA-N	421.419	5.025	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(C2SCCS2)cc1	735333229	VHRPCYNBUDUNAV-UHFFFAOYSA-N	405.928	5.078	30	20	HKED	
COc1ccc(N(Cc2ccco2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1F	739450523	YXQVYNQEISEGJC-UHFFFAOYSA-N	415.877	5.356	30	20	HKED	
C[C@]1(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CCCN(C(=O)c2ccccc2)C1	741879434	HAZYRFKQTVILPE-MHZLTWQESA-N	424.500	5.073	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1	743147538	TYHFWLGRWMGCQG-GOSISDBHSA-N	423.582	6.153	30	20	HKED	
CC/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(C)cc1	745125488	KECHIBGTCRLSSA-UZNZLNSGSA-N	422.550	5.222	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OC	746522950	NYLTYRMBQNHZPB-XJKSGUPXSA-N	421.324	5.103	30	20	HKED	
C=CCc1cc(CNc2nc(-c3cccnc3)nc3ccccc23)cc(OC)c1OC	747810381	MBLSHFKCEDMXIR-UHFFFAOYSA-N	412.493	5.050	30	20	HKED	
CC[C@@H](Oc1cccc(C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	750692535	RXLRFMZHNZNNLI-TZIWHRDSSA-N	406.507	5.161	30	20	HKED	
Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	752364448	NRBOPWTZNRGDEN-UHFFFAOYSA-N	404.539	5.291	30	20	HKED	
Cc1sc2nc(/C(Cl)=C/c3ccc(F)c(C#N)c3)nc(O)c2c1-c1ccccc1	756263858	WOZBPLAHAFMDIK-YBEGLDIGSA-N	421.884	6.120	30	20	HKED	
C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1	757981002	HYKRGRRVOFOGLA-GFCCVEGCSA-N	416.264	5.152	30	20	HKED	
COc1ccc(C)cc1CSCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	759055203	KMRPOXGTLHKRLU-SFHVURJKSA-N	408.548	5.237	30	20	HKED	
Cc1ccccc1-c1nn(CN2CCCC(C)(C)[C@@H]2C#N)c(=S)n1Cc1ccco1	766114257	XBDFATCXNQQNKQ-FQEVSTJZSA-N	421.570	5.002	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)C1	766627346	ZHMYRWNUUKAJAY-YZGWKJHDSA-N	411.571	5.537	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@H](C(C)(C)C)c3ccccc32)ccc1OC	770609847	AIWYGFJOPNSLFV-QUCCMNQESA-N	421.541	5.236	30	20	HKED	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N(CCC#N)CC(F)(F)F)cc1	772154051	SFEVIVMYKCFPKG-UHFFFAOYSA-N	403.408	5.086	30	20	HKED	
C#CCOc1ccc([C@@H](C)NCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1	779177861	LUJJFWVBEIJLQE-GOSISDBHSA-N	412.489	5.366	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	780553744	BRGUJLGWCUPAGB-HNNXBMFYSA-N	423.419	5.479	30	20	HKED	
N#Cc1ccc([C@H](O)C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1	780915776	XIKUSVAJMSBBLU-FQEVSTJZSA-N	412.367	5.041	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2cnc(-c3ccc(C)cc3)s2)c2ncc[nH]2)c1	787170592	YCVIVHMAZHZLEN-DEDYPNTBSA-N	401.491	5.274	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3cnc(-c4ccco4)s3)cc2c1C	788097480	HDHPWMIMXMTBAN-WAYWQWQTSA-N	410.476	5.004	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(N2CCOC2=O)cc1	789127445	KGMDIVWQYKMSRV-KTKRTIGZSA-N	410.882	5.316	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C[C@H]1C2(Cl)Cl	791255105	QWPODQMRAGGSQP-UYAOXDASSA-N	417.361	5.365	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2-c2csc(C)n2)cc1OC	794129439	MFNILGPCCCAXJS-BENRWUELSA-N	406.507	5.344	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)OC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	797242994	FDRZTSPITBNYGR-HNNXBMFYSA-N	415.534	5.107	30	20	HKED	
COc1cc(COC(=O)C[C@H]2CCC(F)(F)C2)ccc1OCc1cccc(C#N)c1	797894038	UICUOQVAAIHVOL-MRXNPFEDSA-N	415.436	5.015	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)OCCCC2(C#N)CCOCC2)c2ccccc2)c1	800165697	WCVAPZNVKBUUOZ-DEOSSOPVSA-N	421.537	5.574	30	20	HKED	
COc1ccc2c(c1F)C/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	809158210	YYLATIGJDQMSPB-PTNGSMBKSA-N	421.855	5.562	30	20	HKED	
Cc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc(C)c1OCc1cccnc1	817319130	KOXRRZQOKWTIRZ-XMMPIXPASA-N	413.521	5.442	30	20	HKED	
CN(C(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2s1	818131548	NEJNMAWDZIDKIN-UHFFFAOYSA-N	401.516	5.596	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1	904635864	RQCIURGEAFAONJ-UHFFFAOYSA-N	423.469	5.324	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc2ccccc2n1C(F)F	915107487	TZGSLVIDUKRKKS-GOSISDBHSA-N	421.447	5.150	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1Cl	916057217	LTRYVSKEQKBKMN-NZQKXSOJSA-N	415.880	5.127	30	20	HKED	
CCCOc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916972277	MDROBXVPRDMVCN-HXUWFJFHSA-N	406.507	5.163	30	20	HKED	
CCN(CC)c1ccc(C=Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c(O)c1	917556599	DWJYHIZSGRSKFP-UHFFFAOYSA-N	419.500	5.309	30	20	HKED	
C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(OCc2ccccn2)c1	917559989	ZGTWJZQHUFTWAI-REMUQMNCSA-N	411.845	5.108	30	20	HKED	
C=CCCO[C@@H](C)C(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1	921216974	DAPFZIZDIGBMIC-SJORKVTESA-N	412.917	5.323	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3)CCC2)cc1	1789456075	KCCDACGHESQRNN-HSZRJFAPSA-N	418.537	5.211	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)C1	1804866389	ZNDVFJFKAXQPEX-XZOQPEGZSA-N	422.613	5.014	30	20	HKED	
N#CCSc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl	5958313	QCMITMFOAYVYKO-UHFFFAOYSA-N	401.702	5.280	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2F)cc1	11170843	JVTDFTRWKSIXEV-UHFFFAOYSA-O	407.534	5.343	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)COCc2nc3ccccc3s2)cc1	23464709	DZIZMOLRBSCTPV-UHFFFAOYSA-N	414.486	5.095	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCc3ncc(-c4ccccc4)o3)c2)c1	31776568	CUEWTMKSQQUXAV-UHFFFAOYSA-N	423.472	5.364	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)[C@@H]4C[C@@H]4C)cc3)n2)cc1	41511220	JAQPCGKZJGMCQO-CWFSZBLJSA-N	415.518	5.203	30	20	HKED	
CCN(C(=O)Cc1csc(COc2ccc(C)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	45500624	KYEZZKDQNSCPKU-SFHVURJKSA-N	419.550	5.054	30	20	HKED	
Cc1nn(C)c2sc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc12	107875830	KUSNEINSTFVUSB-SFHVURJKSA-N	420.925	5.504	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(F)cc2F)cc1OC	237221383	ARJJDTGFYYNKFH-GFCCVEGCSA-N	412.274	5.152	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl	303291689	BFKGEZVWNOQWLU-ZIAGYGMSSA-N	422.381	5.677	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nc(-c2ccccc2)cs1	431164120	SIMGVUYFMLIVPG-OAQYLSRUSA-N	423.497	5.297	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c(Cl)cc(F)cc2Cl)cc1	431501746	ZCJUUWRTIXSLSD-UHFFFAOYSA-N	401.224	6.049	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](c1ccccc1)c1ncc[nH]1	433141769	BIBTXCKAFRLDLI-OXJNMPFZSA-N	405.527	5.057	30	20	HKED	
CCCc1c(NC(=O)C[C@@H](C)c2ccc(F)cc2F)cnn1-c1cccc(C#N)c1	440105720	YTEJMJHKHVJXDQ-OAHLLOKOSA-N	408.452	5.107	30	20	HKED	
C=CC[C@H](CC)NC(=O)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	440243543	OKMGMUHGKXUBRP-INIZCTEOSA-N	423.900	5.090	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1)c1ccccc1	440252392	FCTSFQYZMYCXGV-FQEVSTJZSA-N	401.432	5.424	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(F)cc2nc[nH]c12	444440933	SYXHYWGMRXGPOT-CQSZACIVSA-N	419.300	5.144	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	462253658	AFCDJANDQVHFFF-QPPBQGQZSA-N	413.477	5.392	30	20	HKED	
CC[C@@H](c1ccccc1)[S@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	462992396	PEXPQDNDYNLYOI-SETSBSEESA-N	419.546	5.546	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)CCc2ccc(C#N)cc2)c(C(F)(F)F)c1	464535186	CGEAORKLPIUKAF-UHFFFAOYSA-N	404.432	5.003	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccccn4)no3)cc2Cl)cc1	467990747	PKQXMHSHMQTQDS-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	475933890	PSCFTEIBRZCPOV-BWKNWUBXSA-N	417.940	5.760	30	20	HKED	
COCCN(C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccc(C#N)cc1	475934107	QWBCCOBMTBVJJO-UHFFFAOYSA-N	414.383	5.130	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(I)cc1	476079981	MXIRENURTKIQGE-UHFFFAOYSA-N	405.279	5.395	30	20	HKED	
N#CCCCOc1cccc(CNCc2nc(-c3cc4ccccc4o3)cs2)c1	479422546	OGMWUENONTXXEI-UHFFFAOYSA-N	403.507	5.529	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F	480093719	GUPXLHVHXVBEMQ-HXUWFJFHSA-N	422.495	5.115	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1cccc(Cl)c1	481374596	PJAKAPJASNGGEM-UHFFFAOYSA-N	407.930	5.328	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482392855	DRODMKFFBLSMKG-FVMDXXJSSA-N	408.317	5.249	30	20	HKED	
CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	482849560	QGAHZDOHGHLDOE-UHFFFAOYSA-N	413.477	5.131	30	20	HKED	
C=CCSc1ccccc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	485463909	IUOUGKMIRJNOCW-KKSFZXQISA-N	418.965	5.180	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)cc2)nc(C)n1	492048878	WNGVGWVHVTWCMM-LJQANCHMSA-N	422.282	5.138	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc2ccccc2n1CC(F)(F)F	494793477	JMDVSFKCSAKZHG-UHFFFAOYSA-N	402.416	5.041	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(C(F)F)ccc1Cl	500258504	PWGQDNIBHLNHED-UHFFFAOYSA-N	419.280	5.146	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([C@H]4CCCOC4)cc3)n2)cc1	505716376	HIUQMHKROYIRLH-FPOVZHCZSA-N	418.518	5.203	30	20	HKED	
CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1C#N	506788780	QZZYDXVIKPUTFA-UHFFFAOYSA-N	409.839	5.080	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1	507557707	YXENIPMUCQVYLL-KRWDZBQOSA-N	417.412	5.149	30	20	HKED	
CCSc1ccc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	508113092	FCCIRHHNCPPBAS-UHFFFAOYSA-N	416.546	5.625	30	20	HKED	
C=CCCOCCCCC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1	508377785	UWCBRZXCELBWPP-UHFFFAOYSA-N	408.380	5.092	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Cl)cc1C	508387948	KAUXXZFMWFGXFO-UHFFFAOYSA-N	407.857	5.033	30	20	HKED	
CCN(C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)[C@@H](C)c1ccc(C#N)cc1	509574574	JUKZELRVZYWAJS-ZDUSSCGKSA-N	401.388	5.161	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc(OC)c1C(C)C	511609608	IKSGDTIXOSNLFB-INIZCTEOSA-N	407.297	5.129	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CN[C@@H](C)c1ccc(C#N)cc1F	512633650	AKUQKIOUTLGXFC-KRWDZBQOSA-N	405.473	5.524	30	20	HKED	
CC1(c2nc([C@H]3CCCCS3)no2)CCN(c2ccc(Cl)cc2C#N)CC1	514887009	GVSSUJQBPWQOMF-QGZVFWFLSA-N	402.951	5.111	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1	518170112	YJGYLVXOFLOGBF-LSDHHAIUSA-N	421.488	6.182	30	20	HKED	
COc1cc(CN[C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)ccc1C#N	519671850	LPLKFYZOBRIZSK-GOSISDBHSA-N	409.942	5.511	30	20	HKED	
CC1CCC(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1	520833486	CACJNUPMJBMARJ-NPCAHTBFSA-N	413.509	5.206	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2)cc1	521365847	CVYFNJYXGQXODI-QHCPKHFHSA-N	401.441	5.859	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccccc1)c1ccccc1	521733187	AMTPXPIAAVRHTO-MBSDFSHPSA-N	402.519	5.697	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c(OC)c1	523008526	FRZITUYHYJIMNY-IBGZPJMESA-N	416.521	5.614	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nc(C2CC2)cs1	523350256	RWPNFLJIDMTYNW-UHFFFAOYSA-N	410.312	5.142	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	525457967	LYWLAWYANHOQCS-WOJBJXKFSA-N	416.443	5.245	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(CC#N)cc2)c1	536087739	IESVBYFDOIBHOQ-IBGZPJMESA-N	411.505	5.115	30	20	HKED	
C=CCc1cc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)cc(OC)c1O	537730796	MRDVCLJAVROGIX-SSEXGKCCSA-N	421.562	5.190	30	20	HKED	
CC(C)C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C(F)(F)F)c1	538160379	VIRXGNDXQVADNH-LJQANCHMSA-N	414.431	5.504	30	20	HKED	
Cc1ccc([C@H]2CSCCN2Cc2cn(CCC#N)nc2-c2ccccc2)cc1	538736552	MXINFJCVZKEYFU-HSZRJFAPSA-N	402.567	5.062	30	20	HKED	
Cc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)nn1-c1ccccc1Cl	539634159	NUSYRMYVFCTTJQ-UHFFFAOYSA-N	416.916	5.223	30	20	HKED	
C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1	541072455	BUKKCTDXSNOHFD-FQEVSTJZSA-N	410.517	5.151	30	20	HKED	
CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1c(C)noc1C	541120171	OCFMYJVRTYJPIA-NYHFZMIOSA-N	402.498	5.342	30	20	HKED	
N#CCc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1	541263900	IAQCJTJFRXVLAT-UHFFFAOYSA-N	402.548	5.413	30	20	HKED	
Cc1ccc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cn1	546134293	DLUFKONEJVBAOX-UHFFFAOYSA-N	414.509	5.206	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](CC)c2ccccc2OC)cc1	554179954	SPPWNTLJSCZWBI-QFIPXVFZSA-N	421.541	5.124	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(C(F)(F)F)CC2)cc1Cl	558288588	CKHBRRGKPYKLJM-INIZCTEOSA-N	407.823	5.459	30	20	HKED	
CCSc1cccc(Br)c1NCc1nnc(-c2cccc(C#N)c2)o1	567156212	HDFSUXDBHXGIMU-UHFFFAOYSA-N	415.316	5.095	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccccc3)cc2)ccn1	574848267	XOYVOMHAQGXWNY-XMMPIXPASA-N	412.493	5.895	30	20	HKED	
N#Cc1ccc(N2CCC(N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2)cc1	576367499	QFFZVFJDVLZUPX-RUZDIDTESA-N	416.956	5.149	30	20	HKED	
CC(C)(C(=O)N[C@H]1CCc2cc(C#N)ccc21)c1csc(-c2c(F)cccc2F)n1	590353526	LEFOXDSNUVNROS-SFHVURJKSA-N	423.488	5.041	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H](c3ccccn3)C2)c1	590566266	XBZPSUTUHQSYMX-SFHVURJKSA-N	417.896	5.419	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1	590693947	KVGMXRYFSOJWLD-UHFFFAOYSA-N	413.502	5.310	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	594569114	GPIQESSVHITLNC-PBWFPOADSA-N	410.461	5.045	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cs2)cc1	603527436	QEAYDGWYMABHBK-UHFFFAOYSA-N	417.578	5.785	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(Br)c1	603637273	WBANTNUDPPRPFG-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl	603670458	QKNHEBHRKJVAPY-AWEZNQCLSA-N	421.324	5.252	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603693016	SROATVGGFFEFSN-IBGZPJMESA-N	404.495	5.348	30	20	HKED	
CN(CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CCCCC1	603862740	ZGOITJDKPGRPTN-UHFFFAOYSA-N	421.610	5.235	30	20	HKED	
C[C@H](c1ccccc1)n1c(SCc2cc(C#N)ccc2F)nnc1-c1ccccc1	603917224	GNKSLUCHYCZDAJ-QGZVFWFLSA-N	414.509	5.857	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cccc(OCCCC#N)c1	603972387	ZQOQSIACVATSPW-CQSZACIVSA-N	419.344	5.251	30	20	HKED	
COc1ccc(Cl)cc1NCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	608903815	QPTPPEIYFNUBAB-UHFFFAOYSA-N	421.884	5.372	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1C#N	609032367	FGHUIBWXGPRLPD-UHFFFAOYSA-N	422.407	5.087	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	609463573	KGLAXSSEJKYGSC-KRWDZBQOSA-N	416.333	5.344	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1C	609535296	HCHVONFUNKXEQY-ISKFKSNPSA-N	412.537	5.147	30	20	HKED	
C[C@H](CCC(C)(C)C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	609927686	DRFSWPQQHOBHHP-CYBMUJFWSA-N	403.577	5.038	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[C@H]1c1ccccc1	610321083	FZJHEDJBONWDQL-FDDCHVKYSA-N	412.493	5.403	30	20	HKED	
COCCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	611815932	CIARFMYGSGRPQK-SFHVURJKSA-N	415.493	5.133	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)cc3C)n2)cc1	613318284	UICUBACQPIFOFF-KRWDZBQOSA-N	411.324	5.680	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1	615189688	VZEIJJQSIIUFKV-UHFFFAOYSA-N	408.845	5.088	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1	616847064	KFECCSFAIFLDKD-UHFFFAOYSA-N	406.507	5.002	30	20	HKED	
O=C(Cc1ccc(F)cc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	676037026	MJBYBZYJZNXRQX-UWVGGRQHSA-N	405.741	5.047	30	20	HKED	
Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12	728687790	MPWDWPPIPQAPQC-QHCPKHFHSA-N	408.505	5.496	30	20	HKED	
CC(C)(C)S(=O)(=O)Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1	732714434	ZYDRRKCCSBBZOK-UHFFFAOYSA-N	400.327	5.163	30	20	HKED	
Cc1ccccc1[C@H](O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	732876920	KZQIZYQCNJSXHM-FYYLOGMGSA-N	419.912	5.159	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)c1	733773978	KQBZHOUXEMQUIH-UXHZXRBQSA-N	422.834	5.369	30	20	HKED	
N#C[C@H](C(=O)CC/C=C\c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1	739143897	POSPTFFCLPHUMN-MPYGFJLXSA-N	400.450	5.142	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCSc4ccc(F)cc43)c2)s1	740025430	GGQDNXOFEYZBEA-IBGZPJMESA-N	423.538	5.462	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cnc2ccccn12	740765711	OMJKDFQKNRNODL-MDZDMXLPSA-N	424.323	5.425	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccnc4ccccc34)n2)cc1	741113283	PEPNHEKKZTUSNC-QJRAZLAKSA-N	406.470	5.120	30	20	HKED	
C=CCc1cc(CNCc2ccc(Br)cc2Cl)cc(OC)c1OC	742370533	ZSHDJJQZXAPFDB-UHFFFAOYSA-N	410.739	5.138	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1	742537451	KDFKNLDJAUQHMN-GOSISDBHSA-N	409.258	5.496	30	20	HKED	
Cc1c(Br)cccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	742537931	RNXYXIXWNIPOLM-FQEVSTJZSA-N	405.295	5.665	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3cnc(C(C)(C)C)s3)n2)cc1	744032635	UXNRGSACDRJSOE-IBSYWUHOSA-N	407.564	5.762	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2cccc(C)c2)n(CC=C)c1=S	745162516	PDDLYLUOIUAQBX-UHFFFAOYSA-N	415.566	5.093	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	747194382	ZFYYDCNJIQQJOX-GDBMZVCRSA-N	405.361	5.474	30	20	HKED	
FC(F)(F)c1ccc(CNN=Cc2ccccc2OCc2cn3ccccc3n2)cc1	748585439	GRWFDWOFEMVVPZ-UHFFFAOYSA-N	424.426	5.056	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1	750684578	RXMTUZHQYVFXJO-XKOZXHHJSA-N	407.684	5.398	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccc(SCC(F)(F)F)cc1	753144647	PIEDCHKESMXCSA-CMDGGOBGSA-N	406.454	5.756	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C)C/C(C)=C\c2ccccc2)c1=S	754864809	XVAGKKBIHFOWKE-MNDPQUGUSA-N	420.582	5.268	30	20	HKED	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(O[C@H](C)C#N)cc1	768170838	WTLHCOKKAQMKCW-OAHLLOKOSA-N	420.340	5.135	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN(C)[C@@H]2CCSc3ccc(Br)cc32)cc1	769329700	MPSAESIXJCGIIF-IFXJQAMLSA-N	417.372	5.409	30	20	HKED	
CC(C)(C)Sc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccn1	779193651	HMHBWWMLFCIYQZ-CYBMUJFWSA-N	400.454	5.207	30	20	HKED	
C#CCCOc1ccc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1	779585807	IJVNLQSBZXFXDP-UHFFFAOYSA-N	402.469	5.021	30	20	HKED	
N#C[C@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1Cl	783353086	ODCZYUSUTYEZPH-GCZXYKMCSA-N	421.246	5.400	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)no1	792181977	VIHWUZAZHSLUOG-LIEIEOFGSA-N	406.917	5.445	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1	793328402	MRNXVGWKVRNCQB-ZDUSSCGKSA-N	403.429	5.732	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1	802041937	JFZQPOPUGUGVKC-FASAQXTFSA-N	420.406	5.577	30	20	HKED	
O=C(Nc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1)c1ccccc1Cl	806577566	DTZOSJYSXFKTHX-GXDHUFHOSA-N	409.272	5.463	30	20	HKED	
C[C@H]1C(=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC[C@H](C(=O)O)C1(C)C	814926968	RILASKWUPQMZHP-SWLSCSKDSA-N	420.435	5.087	30	20	HKED	
N#CCCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1	815789888	QRFIHIBMFRTFQV-NRFANRHFSA-N	411.461	5.076	30	20	HKED	
N#C[C@@H](C(=O)COCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915103382	UWUNSEMOFUHDTH-INIZCTEOSA-N	417.317	5.510	30	20	HKED	
O=C(Nc1cccc(/C=C/C(=O)c2c[nH]c3ccccc23)c1)c1ccccc1Cl	915271108	KAKKPALMMMCMAV-OUKQBFOZSA-N	400.865	5.970	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2nccc3sccc23)cs1	915978563	FLQYNVCJUPFICA-UHFFFAOYSA-N	421.551	5.500	30	20	HKED	
CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1	916211276	LUZZULZOFGNETC-HXUWFJFHSA-N	409.555	5.064	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3nc4ccccc4s3)n2)cc1	916973334	WJJCJCXHZUIEGU-SNGWPZLWSA-N	401.516	5.618	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC	917024823	ADGPSHRBDVACBD-JQYPEGPJSA-N	416.502	5.273	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Oc2ccc(Oc3ccccn3)cc2)o1	917043451	YQESDUOYHMIFEM-UHFFFAOYSA-N	412.401	5.137	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3cc(C)cc(C)c3)n2)cc1	920138544	HBWHICMNOQXXOD-HXUWFJFHSA-N	406.507	5.081	30	20	HKED	
Cc1cc2occ(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2cc1C	920804041	JENOZDXBAOEILB-MRXNPFEDSA-N	422.456	5.870	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cncc(C)c3)cc2)CCC1	1787430399	AFGWYNGMEZHRKB-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C)n3)cc2)CCC1	1788349952	HLXARGPGEMHUMU-JOCHJYFZSA-N	417.553	5.215	30	20	HKED	
O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1cccc(O)c1)c1cccc(Cl)c1	10826023	UHTPMDVARRVEDG-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cccc(CC)c2)cc1	11084213	OMPFKFLOMXBFLW-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2c(-c3ccccc3)nc3ccccn23)S1	17473728	WAMXPJMXMVPVJS-HMMYKYKNSA-N	424.529	5.510	30	20	HKED	
Cc1nc(N/N=C2\C(O)=Nc3ccc(Cl)cc32)c2cc(-c3ccccc3)sc2n1	20791505	BVZDWZQQIVEFRX-UHFFFAOYSA-N	419.897	5.738	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N(C)Cc2ccc(C#N)cc2)c2cnn(C(C)C)c2n1	25118274	NDYPUCBTRCHLMO-UHFFFAOYSA-N	423.520	5.132	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cn2cccn2)cc1	47176805	GSIQEXPGFRUYHX-UHFFFAOYSA-N	410.502	5.207	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)o2)cc1	71833738	ZRXAZCVUPKQFFN-MRXNPFEDSA-N	409.486	5.217	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1	303624860	XNVCINSLNVYIPZ-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
Cc1c(Cl)cccc1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	303670867	DHQAOKRGVRDYAO-UHFFFAOYSA-N	420.896	5.311	30	20	HKED	
COCc1nc2cc(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)ccc2o1	431186552	IAHTUVGNNRCZJL-UHFFFAOYSA-N	414.421	5.282	30	20	HKED	
CC(C)(c1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1)C(F)(F)F	433336043	NZNCBBCWPYBUDC-UHFFFAOYSA-N	413.447	5.311	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1Cl	435668041	TTXFAARGBCKGOC-LLVKDONJSA-N	414.840	5.098	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c2ccccc21	436115378	OMOWQRVMFLKRKT-UHFFFAOYSA-N	412.497	5.047	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1F	437482331	YXKLJQRSCDQYGF-UHFFFAOYSA-N	403.388	5.291	30	20	HKED	
CN(CC[C@H]1CCCCN1C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437769780	DVQASTHIYODETQ-IRLDBZIGSA-N	424.976	5.334	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H](CSc2ccccc2)C1	438044862	OHWUVTUXYKNBPN-NRFANRHFSA-N	413.546	5.128	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)n1	438132138	QFQHVAZXAWREKY-RTWAWAEBSA-N	415.497	5.164	30	20	HKED	
CC(C)Oc1cc(CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)ccn1	443940769	UDWUVTQFTCDVAN-QGZVFWFLSA-N	424.570	5.317	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)CCC(C#N)(c2ccccc2)c2ccccc2)cs1	444653037	YRTFVVRBZBNTSN-HXUWFJFHSA-N	419.594	5.572	30	20	HKED	
COc1ccc(Br)cc1-c1nc(CN2CCCC(C)(C)[C@H]2C#N)cs1	444727677	QEEFSOHQCHCGKU-QGZVFWFLSA-N	420.376	5.095	30	20	HKED	
O=C(CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1	444738116	CKWNRNSOXVUJER-OAHLLOKOSA-N	408.317	5.066	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Br)ccc1Cl	464942526	QQOXECLAYGZPGM-FUHWJXTLSA-N	403.707	5.014	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)Oc1ccccc1F	466170047	UNODFBBQHSRZMC-MRXNPFEDSA-N	405.429	5.079	30	20	HKED	
Cc1nc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc2o1	470832244	PWVCMAQUQGEMID-IBGZPJMESA-N	401.853	5.697	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1	471057457	QSUYXBNKYRTPCI-XMSQKQJNSA-N	411.530	5.733	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	471272869	MSOFSQXJTKZZHY-SUMWQHHRSA-N	421.394	5.081	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ncoc3-c3ccc(F)cc3)n2)cc1	473486578	HLRQUKGBLQCASW-QGZVFWFLSA-N	403.438	5.403	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)n1	474444879	IZYLFKSOLPWJGQ-OAHLLOKOSA-N	419.510	5.342	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)c3csc4ccccc34)o2)cc1	475872610	CNQOHPQTZPEYJR-UHFFFAOYSA-N	408.504	5.491	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(CCC(F)(F)F)cc1	477065482	YFNVLZZZQAMJIV-UHFFFAOYSA-N	408.468	5.569	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)CCCC(=O)Nc3ccccc3C#N)c2)o1	477581032	RUVFWBFWBWDOBZ-UHFFFAOYSA-N	401.466	5.183	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(Br)ccc1N1CCCC1	479296823	RFXOFMBHKYQHFB-UHFFFAOYSA-N	420.376	5.331	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)c(F)c1	480563329	LEVQIGVCKPHTJS-VBKZILBWSA-N	401.482	5.798	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1	480655857	YUHABXCHHXDKCT-UHFFFAOYSA-N	424.860	5.609	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1	487394417	VSAILTOQRHMWMA-IBGZPJMESA-N	412.415	5.056	30	20	HKED	
CC(C)c1nnc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1	489716469	OXYBGBGHRKLVDK-UHFFFAOYSA-N	402.376	5.488	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cncc(-c3cccc(C)c3)c2)cc1	490553628	BPFZTXOZDCZVQL-UHFFFAOYSA-N	411.505	5.124	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	499857166	AIDOQDLFMVVNIM-GFCCVEGCSA-N	408.335	5.482	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)c1	502370197	ZXBDDGZDOWEQPM-UHFFFAOYSA-N	406.448	5.057	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1OCc1csc(C)n1	502898818	IDBVOFYQBPAFJD-UHFFFAOYSA-N	418.971	5.574	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503498273	KRKFWPQESBWCCI-KRWDZBQOSA-N	402.523	5.274	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3noc(C4CC4)n3)n2)o1	504544956	CWMJFPGRTLFEAD-UHFFFAOYSA-N	406.389	5.093	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc2)CC1	505368119	ZBGHVVSMAHHNIP-INIZCTEOSA-N	412.333	5.294	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1c(Cl)cccc1Cl	505505116	DIAAKNZGYWLSLV-XUJVJEKNSA-N	411.235	5.079	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F	506878505	UEFBUCVTFSIOPT-UHFFFAOYSA-N	423.410	5.329	30	20	HKED	
COc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)cc1	508369000	DKEBMRQHGOJGRZ-HNNXBMFYSA-N	423.929	5.132	30	20	HKED	
CCCN(C(=O)c1cccc(C#N)c1C)[C@H](c1cccnc1)c1ccc(F)cc1F	509414612	HERXXWHROUCOGP-HSZRJFAPSA-N	405.448	5.182	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	509493358	PDRGIAYMCAAYLJ-UHFFFAOYSA-N	420.557	5.712	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccnc(Oc3ccccc3)c2)o1	509822023	AXFHEYGSWAQGMT-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](n4ncc5ccccc54)C3)cc2)c1	512843484	DPBKZBLRBJPKFS-OAQYLSRUSA-N	423.476	5.179	30	20	HKED	
CSCCc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1	513237864	GOGHZUPMFAWLMN-UHFFFAOYSA-N	402.519	5.295	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	513295651	ISDMKKKLLDSEDT-IBGZPJMESA-N	419.544	5.304	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cn(Cc3ccccc3)c3ccccc23)nc2ccccc21	513667038	QLGQROZNPVGIHW-HXUWFJFHSA-N	404.473	5.066	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1	515145732	CQJOTZBNMQJFQP-QFIPXVFZSA-N	423.582	5.127	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1	517652089	CMYDWADJHGQGNK-PMACEKPBSA-N	410.395	5.507	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519053033	UTJIIYIDNMAONP-XMMPIXPASA-N	413.477	5.728	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	520636180	RERLLOBSPIWECR-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
C=C(C)CN1CCC(NCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)CC1	520971683	UCKMGFLNBIPMBO-UHFFFAOYSA-N	414.977	5.058	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cnn(CC(F)(F)F)c2)c1	522821757	JRFQMBVSRDCNKD-UHFFFAOYSA-N	420.778	5.015	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[nH]c12	522828666	URCVUHMJVYAHNX-NRFANRHFSA-N	406.445	5.220	30	20	HKED	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2occc2COc2cccc(C#N)c2)C1	523091862	ANHPRULMUYJTFR-RXVVDRJESA-N	400.478	5.057	30	20	HKED	
Cc1nc(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)ccc1C#N	524206301	CNUSJRGSLZJVKZ-UHFFFAOYSA-N	408.914	5.092	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N(Cc1ccc(C(F)(F)F)cc1)C1CC1	524441713	XZRFOTRQVLMMKU-UHFFFAOYSA-N	420.328	6.060	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(OC(F)F)cc3)c2)cc1	524664038	DQVXOZKOUDWEDS-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
Cc1cccc(NC2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc34)CC2)c1	525359807	XKSNUQXWOWAMJC-UHFFFAOYSA-N	408.452	5.097	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(OC2CCC2)cc1Cl	534678229	PXNSXLAFFWZHRO-CQSZACIVSA-N	400.931	5.775	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1	536201326	OQZZQVOCHSMLQP-XLIONFOSSA-N	421.928	5.456	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@@H](C)C1	538161301	NLHKHNUPUWGHPV-WSCWJOSJSA-N	400.526	5.574	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F	538328111	VYEVUXZWMKFTOA-GFCCVEGCSA-N	419.369	5.385	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	543320865	RYQOAXMABOVQQU-PMACEKPBSA-N	402.523	5.422	30	20	HKED	
N#Cc1ccc(OCc2ccc(-c3nc(-c4cnc5ccsc5c4)no3)o2)cc1	545717487	NWHLTOQHOAMSPS-UHFFFAOYSA-N	400.419	5.057	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	552271505	JPZWYUQLIHQJIZ-PMACEKPBSA-N	400.444	5.499	30	20	HKED	
N#Cc1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1Cl	552765527	KGFUPLREBPQEPM-IBGZPJMESA-N	422.834	5.128	30	20	HKED	
CC1(C#N)CCN(c2nnc(-c3cccc4ccccc34)n2Cc2ccccc2)CC1	555141916	RQOCDMUDBSWYSA-UHFFFAOYSA-N	407.521	5.277	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1c(C)nn(C(C)C)c1C	556028630	PLGXCGNXJKBIPU-UHFFFAOYSA-N	418.516	5.176	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C3CC3)C3(C#N)CCC3)c3cnn(C(C)C)c3n2)cc1	560103326	QHTHTGNQDDGZDR-UHFFFAOYSA-N	413.525	5.039	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc(C#N)c1	561177766	HGPLDHJCUALOQZ-CYBMUJFWSA-N	418.444	5.022	30	20	HKED	
C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	564113443	RLJMAUMUNULWPP-GOSISDBHSA-N	423.532	5.007	30	20	HKED	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	565767374	PXXSLNALBALZCI-QGZVFWFLSA-N	412.493	5.082	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc(C(F)(F)F)cc1	566393814	KOHCXAYPSOTRSK-RDTXWAMCSA-N	404.432	5.394	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3nc(CC(F)(F)F)cs3)c2)cc1	568437602	MSLJIYPCQFOENP-UHFFFAOYSA-N	403.385	5.164	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	570608639	GOHKAGUSJBACGC-LVFSCSRESA-N	420.479	5.168	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1)c1ccccc1	580360138	KBJCOPFIJFUDEH-MSOLQXFVSA-N	420.479	5.035	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1F	589801524	IMXKUMLDRFUYNZ-UHFFFAOYSA-N	405.376	5.021	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(C#N)c(Cl)c1	603947288	GKDYLNIYQRQAQX-UHFFFAOYSA-N	413.861	5.225	30	20	HKED	
CC1(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1ccccc1	604360872	IWVXFIFNUXDDQV-FQEVSTJZSA-N	402.523	5.221	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3sc4cccc(Cl)c4c3Cl)[nH]c12	605362780	TUSYBGVWQOAHNU-SNVBAGLBSA-N	400.290	5.883	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)n1	609060606	FPXWUNXPSCUAFT-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(OCc4cccnc4)cc3)c2)cc1	609177343	PJHKTUBPPZYTAZ-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(C)cs1	609207344	RLUWPCRYEGIBEV-FQEVSTJZSA-N	420.538	5.369	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2)nc1	609514174	GFKFPQVWRQDCBD-UHFFFAOYSA-N	420.472	5.156	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	609989584	MSPFTEYKHXGCBY-PXAZEXFGSA-N	414.349	5.284	30	20	HKED	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610717733	MZRMRMIPMLFLES-AWEZNQCLSA-N	420.419	5.175	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	611563849	ZAGMWJBAYMGNPH-DNVCBOLYSA-N	401.432	5.098	30	20	HKED	
C=C[C@@H](CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1	677512618	MOZUPDVQJIREAU-HNNXBMFYSA-N	409.327	5.175	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	682777263	KCRIDHUDKCFEQC-QGZVFWFLSA-N	413.512	5.465	30	20	HKED	
C[C@](CC(=O)O)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCCCC1	726603949	CSFAKVQRUMQLME-RCZVLFRGSA-N	404.510	5.342	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1oc2ccccc2c1C	727058471	PGRCTPRIYGFGQI-UHFFFAOYSA-N	419.506	5.378	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F	727628545	NMQQPQJTSWZZES-CYBMUJFWSA-N	423.341	5.139	30	20	HKED	
COc1ccc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)cc1OC(F)F	727780425	NHVOUFODIAKSJS-ONNFQVAWSA-N	413.189	5.021	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2c(F)cccc2F)C2CCCC2)cc1Cl	729159108	YYFPVFVPQNDDRX-UHFFFAOYSA-N	405.901	5.631	30	20	HKED	
N#CCCCOc1cccc(/C=C\C(=O)c2c[nH]c3cc(Br)ccc23)c1	729937682	ZDSXDLFZFYSLLP-TWGQIWQCSA-N	409.283	5.509	30	20	HKED	
Cc1ccsc1-c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1	730150479	KTMQAIGXJRVDQU-GZTJUZNOSA-N	411.552	5.079	30	20	HKED	
O=C(Nc1cccc(/C=C/C(=O)c2ccc(C(=O)O)s2)c1)c1ccc(Cl)cc1	730589684	MJMKRPFRUSABNL-RUDMXATFSA-N	411.866	5.248	30	20	HKED	
O=C(Nc1cccc(/C=C2\COc3ccc(F)cc3C2=O)c1)c1ccccc1Cl	731565692	YAAHBKXUZQZOJX-XNTDXEJSSA-N	407.828	5.390	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCOc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	735597143	XOXMSGIXINBULJ-HIFRSBDPSA-N	410.445	5.221	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)/C=C\c3nc4ccccc4s3)c2)s1	739599545	NFAYCDMURCBYHQ-KHPPLWFESA-N	401.516	5.226	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CC)Cc2cc(Br)ccc2O)c1	743139712	PYZGZJRSBICHKV-UHFFFAOYSA-N	419.319	5.164	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(O)c(Br)c2)ccc1SC(F)F	746346986	WBRQVLXZBCXPOS-DJWKRKHSSA-N	415.255	5.374	30	20	HKED	
Cc1ccc(CCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	746415503	DQGFNNCWGWDAPF-IBGZPJMESA-N	416.493	5.370	30	20	HKED	
Cc1ccc(COc2ccc(/C=C\C(=O)c3ccc(N4CCOC4=O)cc3)cc2)cc1	748584490	RPYSJXGORILESM-NVNXTCNLSA-N	413.473	5.427	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c1cccc(Cl)c1	750683513	GNJKZESXLLENAS-RCLKMUNOSA-N	417.292	5.061	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc4ccccc4n3)n2)cc1	752173456	DQTCVOZWJCWHGK-YPNIWSFNSA-N	411.486	5.257	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C(C)=C/c2ccc(OC)c(F)c2)cc1	755605176	YNVBJXGKSFWKKC-ZOIOWDITSA-N	408.473	5.099	30	20	HKED	
N#C[C@H](C(=O)CCCc1cc(Cl)sc1Cl)c1nc(-c2ccncc2)cs1	756246791	ZDMZTBTWLJKUNL-CYBMUJFWSA-N	422.362	5.773	30	20	HKED	
C[C@H](Cc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756527163	JEAPADBEBJGVQP-AUUYWEPGSA-N	405.910	5.390	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1F	756938813	UPDBWYKKAXXPSR-UHFFFAOYSA-N	416.452	5.316	30	20	HKED	
C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1csc2ccccc12	758302609	NUFUTRHUEIWGSU-INIZCTEOSA-N	400.507	5.169	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2[nH]ccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	765914592	DKTYHXQZPFJPLK-NUJSQKRLSA-N	403.894	5.834	30	20	HKED	
N#C[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1cccc(Br)c1	768186920	YAOPRXPRXCHNLC-KRWDZBQOSA-N	415.287	5.311	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1oc2ccccc2c1CSc1ncccn1	768645671	SRYIBTNOQKOBJS-UHFFFAOYSA-N	409.511	5.392	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2nc3ccccc3o2)cc1C	781812721	VUAZFMZTMWEYND-QGZVFWFLSA-N	414.465	5.140	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1	786927744	XNQJGEDBQXJVOG-CYBMUJFWSA-N	421.309	5.008	30	20	HKED	
CC(C)(C)OC(=O)NCC1(CC(=O)[C@H](C#N)c2nccc3ccccc23)CCCCC1	792098051	ALNQMWCRYBAFEI-FQEVSTJZSA-N	421.541	5.276	30	20	HKED	
Cc1nn(C(C)C)cc1/C=C\C(=O)c1sc(/C=C/c2cn(C(C)C)nc2C)nc1C	798370239	HKZIYRCEQBSMFL-PNQPDEHRSA-N	423.586	5.690	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2coc3ccc(C(C)C)cc23)ccc1OC	804378343	MNBSDJDZXAFVDV-GOSISDBHSA-N	406.482	5.176	30	20	HKED	
COCCOCc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3OC)cc2)cc1	809154106	NFWZPWPHHINQKM-WJDWOHSUSA-N	402.490	5.421	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)ccc1O	811596875	YIXLKRKCPASNQX-UHFFFAOYSA-N	416.477	5.020	30	20	HKED	
C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1	904634376	NJGGDXFUIPJCBU-OAHLLOKOSA-N	404.470	5.301	30	20	HKED	
CC(C)c1nnc(S)n1N=Cc1ccc(-c2cccc(Br)c2)s1	914599322	FJSJFTISNFAWSB-UHFFFAOYSA-N	407.362	5.063	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1	915179181	BDNGKOJISZATSE-RUZDIDTESA-N	423.516	5.107	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccsc1	916159229	OQHCSIJICNUYIK-OAQYLSRUSA-N	406.482	5.154	30	20	HKED	
N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc2ccccc2[nH]1	916844722	YTCLOUPTJXKWJT-HXUWFJFHSA-N	422.463	5.659	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2CSC)cc1	916914887	XJQZMKYNXISKAC-LJQANCHMSA-N	420.534	5.600	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1	916953125	ROHMYUBSHNORCM-KRWDZBQOSA-N	410.882	5.038	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3)o2)cc1	916955984	WJVWLKIXFMDUGE-DYESRHJHSA-N	415.493	5.135	30	20	HKED	
CC(C)NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	919665543	BOXJRVVEBIGPOJ-MRXNPFEDSA-N	421.349	5.133	30	20	HKED	
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	919773582	SIAVJBKUFGLBTM-VANUSSGQSA-N	424.548	5.299	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1Cl	920819506	QFXVDBYDRFRORN-OFNKIYASSA-N	415.880	5.452	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2)CCC1	1790876830	JXVBITGOJNJMKW-HNNXBMFYSA-N	407.539	5.189	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccccc2)c1	7611300	BFEWLSFMWNAXAN-UHFFFAOYSA-O	401.964	5.357	30	20	HKED	
CCCCSc1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1	7819055	PIRPAFIXRKJIPC-SNVBAGLBSA-N	412.993	5.075	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(NCc3ccco3)s2)cc1	22416749	AYBPLVMGXCXHEM-UHFFFAOYSA-N	404.520	5.574	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(C(CC)CC)cc1	22795282	KDYLRGVDZODEEV-UHFFFAOYSA-O	416.010	5.636	30	20	HKED	
Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c23)cc1	25785920	DXZFAHJORAUMEA-NYHFZMIOSA-N	424.595	5.202	30	20	HKED	
Cc1nc(-c2cccs2)sc1/C(O)=N/c1nc(CN2CCCCCC2)cs1	29637327	GRBZRLBJBMGDDT-UHFFFAOYSA-N	418.613	5.649	30	20	HKED	
Cc1nc2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2nc1C	58515402	KCTYXHUOQCJGLC-UHFFFAOYSA-N	424.479	5.100	30	20	HKED	
C=CCN(C(=O)CCc1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	60538843	ZMXMBXUFWXKURC-UHFFFAOYSA-N	411.458	5.009	30	20	HKED	
CCOc1ccc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC	60973960	UIGUSWWBKSDFJV-IBGZPJMESA-N	416.521	5.395	30	20	HKED	
CCSc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccn1	65791737	NWNSSDLKRLURDW-UHFFFAOYSA-N	405.498	5.047	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1	78720154	OSWUYSIJCFROST-QGZVFWFLSA-N	421.566	5.852	30	20	HKED	
N#CCSc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1	195545393	JWUNLMRIOKKQOT-UHFFFAOYSA-N	415.540	5.296	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl	195729964	MJMICYVHSZSUGI-ZDUSSCGKSA-N	406.288	5.463	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1ccccc1Cl	255930369	GIJCRDXHUWLKQB-AWEZNQCLSA-N	403.910	5.689	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cc(Cl)ccc1Cl	426116010	CFXCTSFYMNMMNX-KBPBESRZSA-N	422.381	5.534	30	20	HKED	
CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	429771908	WSNHXPXRZMRCIN-UHFFFAOYSA-N	417.513	5.054	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Br)c3c2OCCC3)s1	430590374	HKGAUJPGMYIHMC-CYBMUJFWSA-N	419.344	5.018	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccccc1	433161726	SBOQHJFPRHJXTC-HSZRJFAPSA-N	423.582	5.655	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(-c4cccnc4)cc3)c2)cc1	438036905	SSALCKKPEOBKRX-UHFFFAOYSA-N	420.472	5.734	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	439505257	ARXRUCLQIPPGCS-BMZZKGLRSA-N	419.525	5.144	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1cnc(C(C)C)nc1)c1ccc(C(F)(F)F)cc1	441131691	ZJWISNGVTFQQPG-IBGZPJMESA-N	420.479	5.468	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C	441706465	XHJFJLSCNXQOGS-UHFFFAOYSA-N	420.937	5.133	30	20	HKED	
C=CCC[C@@H](NC(=O)N(CC)[C@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1	460931673	LVABYMVBZLTYOS-RBUKOAKNSA-N	412.496	5.702	30	20	HKED	
Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccccc2-c2ccccc2C#N)s1	469888394	HLHOBNYYOVKJOP-UHFFFAOYSA-N	414.465	5.444	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3nnc(-c4cccc(Cl)c4)o3)c2)c1	471607322	YLTXHUGWKRHQEO-UHFFFAOYSA-N	416.868	5.453	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473659289	KBLUYTVUWRSOCM-GUYCJALGSA-N	420.365	5.605	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(-c2cccnc2)cc1	474753020	RIHBHWJDLLQOAA-SFHVURJKSA-N	420.472	5.299	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(-c2cccnc2)cc1	474760684	XBDXETJCOFQLMO-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	475576657	ASOIWEVLTOHCGO-REWPJTCUSA-N	405.586	5.713	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(Cl)ccc2NCc2ccccc2)c1	477725862	KGYGBVYLCZZLSH-UHFFFAOYSA-N	407.926	5.820	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479171975	YCUIKHDPIQADFI-NNAHLOSHSA-N	417.553	5.259	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(C#N)cc2)nc1-c1ccccc1	481721024	HHRSRLKMSZJLCL-FQEVSTJZSA-N	400.482	5.706	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nccc2ccccc12	483196457	JPYDEYKTKPSBQA-FQEVSTJZSA-N	405.482	6.002	30	20	HKED	
COCCCCN(Cc1ccccc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	483352222	PMOYKHXEEMQZPS-UHFFFAOYSA-N	414.505	5.420	30	20	HKED	
CN(C(=O)NCc1cccc(C#N)c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	483721716	IIUFEFGXXLMDOQ-QFIPXVFZSA-N	407.876	5.282	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1nc2c(cc1C#N)CCCC2	484166870	WEHZFFKAAUTMCO-CYBMUJFWSA-N	422.941	5.153	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccccc3Nc3ccc(F)cc3F)o2)cc1	486078877	WHVHSLLCWGQLMD-UHFFFAOYSA-N	403.392	5.242	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1cccc(OC)c1	488917093	YFIMMIBIHVNJQY-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
C=CCN(C(=O)c1ccccc1OCCOCC)c1nc(-c2ccccc2)cs1	498297766	CJECMDSLEAWAHG-UHFFFAOYSA-N	408.523	5.058	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)sc2cccc(F)c12	499386880	FBSPBQHNCXLBPO-CQSZACIVSA-N	403.276	5.106	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1OCC	499974006	QFDPWFGWANTWOG-KRWDZBQOSA-N	407.297	5.176	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(Br)cc1	500756733	UPOXLGARTFKUOQ-UHFFFAOYSA-N	421.294	5.603	30	20	HKED	
Cc1nc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)sc1SCC#N	504799991	CKIWMOBBOHRTQO-UHFFFAOYSA-N	420.972	5.025	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	505207612	SFBREBPHXDTASP-UHFFFAOYSA-N	417.321	5.068	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1Cl	507152443	UHEDVOOSDZLECW-UHFFFAOYSA-N	404.297	5.036	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCC3(c4ccccc4)CC3)c2)cc1	509912738	PVIBDYIZMCSYPA-UHFFFAOYSA-N	411.505	5.185	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1F	510902123	JNGADXFRAXLRKY-UHFFFAOYSA-N	419.456	5.471	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N(Cc3ccco3)c3ccccc3C#N)s2)o1	512299571	AHFHIUITIPSGOP-UHFFFAOYSA-N	403.463	5.332	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(C(F)(F)F)cn1	513209491	CWTHXTCWFRFBKS-SFHVURJKSA-N	424.382	5.234	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1	515374775	AZUPAJULKXZVCH-UHFFFAOYSA-N	421.522	5.229	30	20	HKED	
N#CCc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c1	520479622	CFWXQTAKBGHFHS-OAQYLSRUSA-N	405.295	5.035	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Cc2ccc(F)cc2)CC1	520941533	QLNOEVTWLJMRBH-QGZVFWFLSA-N	411.546	5.707	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	521209227	WVSYTUXIMPPGOE-UHFFFAOYSA-N	424.504	5.912	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1	521796265	AWGOQGATUXENQZ-ZIAGYGMSSA-N	419.344	5.249	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1OC(F)F	522305353	HHOUBPMQHSXJIL-MRXNPFEDSA-N	422.431	5.230	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3cccc(Cl)c3)C3CCCCC3)o2)cc1	531858921	UVTOQJKHAIMKCW-JOCHJYFZSA-N	406.917	5.673	30	20	HKED	
N#CC1(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CCSCC1	535199302	CYIFNAWQWVSSHS-HXUWFJFHSA-N	416.999	5.068	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	536124095	LXCUTSXPQNPXKE-IBGZPJMESA-N	414.505	5.158	30	20	HKED	
CCN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccc(C#N)c(Cl)c1	538071589	BVTIDIWJDSOGQO-UHFFFAOYSA-N	417.896	5.155	30	20	HKED	
Cc1ccc([C@@H]2CSCCN2Cc2cn(CCC#N)nc2-c2ccccc2)cc1	538736553	MXINFJCVZKEYFU-QHCPKHFHSA-N	402.567	5.062	30	20	HKED	
O[C@@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)Cc1ccccc1C(F)(F)F	540377239	LGVPDKJCAXRKJB-WBVHZDCISA-N	409.345	5.031	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H]2C2CCOCC2)c1	540801346	WJQJDKDWSLFPMU-OAQYLSRUSA-N	410.901	5.035	30	20	HKED	
CC(=O)N1CCc2c(sc3nc(CC#N)c(C(C)(C)C)c(-c4ccc(C)cc4)c23)C1	542514514	FBZJOKMJQLJIOY-UHFFFAOYSA-N	417.578	5.540	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(Cl)c(C#N)c1	542532225	NSSCJYJQAPERSD-UHFFFAOYSA-N	407.901	5.352	30	20	HKED	
COc1ccc(-c2nnc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1	543870128	ONOBGTQFWWMNCY-QGZVFWFLSA-N	410.477	5.135	30	20	HKED	
CCC(=O)Nc1cccc(-c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)c1	544945917	VOTBVJMYHIJFII-QXMHVHEDSA-N	411.465	5.124	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1	547956048	XICNTKIYRILAFU-OAQYLSRUSA-N	410.304	5.512	30	20	HKED	
COc1cc(CN(C)C(=O)c2ccc(C#N)c(Cl)c2)ccc1OCc1ccccc1	548607190	ZRLJAFFBYDKDNG-UHFFFAOYSA-N	420.896	5.071	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1	553453881	MBBWMQSJPMSTRD-UHFFFAOYSA-N	421.545	5.030	30	20	HKED	
FC(F)(F)C[C@H](N[C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	554089343	VGVVRLBJGUWNMF-FRRDWIJNSA-N	409.292	5.398	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)sc2ccc(C#N)cc12	555889905	XZRIEQFVHIALSV-UHFFFAOYSA-N	415.522	5.212	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c4ncccc34)n2)cc1	558865817	PAAWCIRUQVFMRE-KRWDZBQOSA-N	419.893	5.510	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)N3CC=C(c4ccccc4C(F)(F)F)CC3)CC2)c1	560577740	QNLZGAPWENZBMD-UHFFFAOYSA-N	414.402	5.064	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)CC2	566944576	UBNKEUNUWSCPLT-GOTSBHOMSA-N	418.338	5.277	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(O)cc1)Cc1ccco1	568791835	CNVWYTRUGSOIEU-QGZVFWFLSA-N	421.522	5.614	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Br)ccc1F	574164013	AEVAGVPFKHNVMO-GFCCVEGCSA-N	422.323	5.162	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c(F)ccc(O)c3F)cc2Cl)c1	583526512	POEDPOULBXIZQX-UHFFFAOYSA-N	414.795	5.027	30	20	HKED	
C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589364103	GUWKEBCDCOBZSJ-HNNXBMFYSA-N	402.429	5.036	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1	594669628	SEHXXCHUAZVEFA-UHFFFAOYSA-N	403.485	5.636	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccco3)cn2)c1	603801709	ISOTVAWIEUPWCC-HSZRJFAPSA-N	410.433	5.250	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	604273267	NYUNCBOIERFMMK-UHFFFAOYSA-N	407.461	5.526	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)oc1C	609042587	IKOKNAFZCIVODX-UHFFFAOYSA-N	402.498	5.520	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)NCc2ccc(C#N)cc2F)s1	609253928	QGLZALQEMVZVPQ-UHFFFAOYSA-N	407.514	5.022	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	609253959	DAEGFZSPIWXTFP-UHFFFAOYSA-N	411.374	5.655	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)cn3C(C)(C)C)s2)cc1	609358694	OEMIUTPXBPFPMY-UHFFFAOYSA-N	408.527	5.198	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1	609517965	JYXHSRRVQSZPIS-ROUUACIJSA-N	403.309	5.442	30	20	HKED	
CCCN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1cccnc1	609522772	LQRLTYZFVHPSMF-RUZDIDTESA-N	401.485	5.053	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCc3c(O)cccc32)c1	609732061	SBNJMVDUTAUTLV-HXUWFJFHSA-N	404.853	5.127	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ncc(-c2ccccc2)o1	610068769	UIQJFBICORJEAS-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC(CC(F)(F)F)C3)cc2Cl)c1	610743703	JRNCGFHNPMHKEY-UHFFFAOYSA-N	423.822	5.207	30	20	HKED	
CCN(Cc1ccccc1NCc1cccc(OCc2ccccc2C#N)c1)C(C)=O	610909652	TZLRWVOZUUQNAK-UHFFFAOYSA-N	413.521	5.118	30	20	HKED	
CC1CCN(CCc2cccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)c2)CC1	611284960	UZJQQBUSQJZCRJ-UHFFFAOYSA-N	416.352	5.392	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(F)cc1	619083136	JNWBNLHZPAQPTH-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1[N+](=O)[O-]	725837344	DRLHMGUFZWOUNF-UHFFFAOYSA-N	407.430	5.242	30	20	HKED	
CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726073821	HXNPYGOVKCMOCV-JWQCQUIFSA-N	411.505	5.120	30	20	HKED	
COc1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1F	726485646	UKSDQBNDGDQSKJ-UHFFFAOYSA-N	423.488	5.557	30	20	HKED	
O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(F)c(Cl)c1	730948330	CZUIHVPZYZZYGB-FPYGCLRLSA-N	400.789	5.245	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Cl	731062868	MNVVCJALVWSDPF-LBPRGKRZSA-N	423.321	5.041	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(F)(F)F)c1	733081411	XSDOHVOOTDKEIN-FPLPWBNLSA-N	404.369	5.633	30	20	HKED	
C#CC[C@@H](OC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)c1ccccn1	733691383	MVLJWYBIYRKGCK-JOCHJYFZSA-N	409.445	5.028	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c1	733803156	TUJHPPCCFOEZGB-QFBILLFUSA-N	420.538	5.051	30	20	HKED	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cccc(Cl)c3C#N)n2)c(C)c1	733869886	YUAHUORKQCIMPO-UHFFFAOYSA-N	417.943	5.061	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1OCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	734706823	ZCNFBZOUYCDKIS-CRAIPNDOSA-N	416.424	5.195	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(Oc2nccs2)c1	737316027	BXAVHHLCMGQLOH-IBGZPJMESA-N	413.458	5.050	30	20	HKED	
Cc1cc(C(=O)N2CCC(OCC3CCCCC3)CC2)c(C)n1-c1ccc(C#N)cc1	742129305	UYPYROZNGVALQC-UHFFFAOYSA-N	419.569	5.167	30	20	HKED	
C[C@@H](Nc1ccc(OC2CCCC2)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1	743483852	HYPZFQDVIDBTMO-MRXNPFEDSA-N	413.468	5.033	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2)cs1	744035077	NYXMEQRADNJIRZ-USXIJHARSA-N	414.864	5.722	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c1	747498136	CZJUESJAAKJULL-XGHQBKJUSA-N	413.949	5.355	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc2cc(Cl)ccc2s1	748009351	GCRJKHWGBHLHSZ-CYBMUJFWSA-N	405.306	5.639	30	20	HKED	
CC(C)[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Cl)c1	750689896	NAGSPGRWAQGIOW-MAUKXSAKSA-N	401.844	5.701	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(C(F)(F)F)cn1	754701347	UBRSLTFZDVWXAC-UHFFFAOYSA-N	421.854	5.568	30	20	HKED	
FC(F)(F)COCc1noc(/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	761461572	AXIWVOPXAMNQNM-UPHRSURJSA-N	420.231	5.357	30	20	HKED	
Cc1cc(Br)ccc1CN(C)C(=S)Nc1ccc(C#N)c(Cl)c1	765981822	LELHFKMWKTYNGA-UHFFFAOYSA-N	408.752	5.111	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1	767154641	NFICVZGFATWMSM-UHFFFAOYSA-N	403.372	5.044	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc3ccccc3c2OC(F)F)c1	772986877	ZZQMIXCOUCQJJA-LPHOPBHVSA-N	410.464	5.973	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(-c2ccccc2C)nc1C	776311356	QGPCYNOOIVUQHQ-UHFFFAOYSA-N	412.518	5.176	30	20	HKED	
CC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	776996380	NJUDDFABWGFSRQ-HNNXBMFYSA-N	408.269	5.508	30	20	HKED	
C=CCSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F	777078896	AHLGRIYWIDCTGN-ZDUSSCGKSA-N	409.429	5.168	30	20	HKED	
C#CCCCCCC(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	780258505	MLFXMDCHDIZNFR-UHFFFAOYSA-N	404.919	5.108	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](COc1ccccc1F)c1ccccc1	780673890	GFUNJFIDGMQJGF-LAUBAEHRSA-N	419.456	5.058	30	20	HKED	
CC(C)(C)OC(=O)NCCCCCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	781450162	FRSIEDXNOZVONP-CQSZACIVSA-N	421.950	5.211	30	20	HKED	
COc1ccc(SCCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	781450621	ULNFXHRKQAOVCH-IBGZPJMESA-N	408.548	5.567	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C\c2cc(C)c(OCc3ccccn3)c(C)c2)cc1	781551549	KUZBCOYRAARIIH-GHXNOFRVSA-N	400.478	5.132	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCSc3ccc(OC)cc32)ccc1OC	783251835	MHZCLSFGBYMBFT-FXAWDEMLSA-N	412.555	5.102	30	20	HKED	
CO[C@H]1Cc2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2C1	784225217	MCPTZVHPKCAUAO-NRFANRHFSA-N	400.503	5.075	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1	785862543	ZPSMYYHHMGIMGD-CQSZACIVSA-N	405.420	5.139	30	20	HKED	
CCC1(c2ccc(Cl)cc2)CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	791861259	JBBQSZUZXXMFFV-KRWDZBQOSA-N	411.933	5.607	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)cn1	792885040	SMKQCTWYRAADOX-SEYXRHQNSA-N	413.502	5.480	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)sc2ccc(C#N)cc12	794221546	KUTLOKDROUULCL-JOCHJYFZSA-N	407.498	5.989	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1OCC	797571288	PNMZLXVQXVZNII-MRXNPFEDSA-N	414.571	5.392	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccncc2OCC(F)(F)F)cc1	798939638	RIISSDZHSUXMGG-CQSZACIVSA-N	400.828	5.005	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CCOCC1	800166142	MWEJHCDYEYTPJM-UHFFFAOYSA-N	401.409	5.014	30	20	HKED	
O=C(O)c1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c1	806558517	FKEVBMKPRDDZPX-VAWYXSNFSA-N	405.837	5.187	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	810202486	BZUZQSBZCOZPMX-WZONZLPQSA-N	415.493	5.092	30	20	HKED	
C=C(C)COc1cc(CNc2cc([C@@H](O)c3ccccn3)ccc2C)ccc1OC	812846188	GPZDHPZRZPIUKH-RUZDIDTESA-N	404.510	5.047	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2c(c1)-c1ccccc1C2	916917416	GUSHCYNLJVFYQK-XMMPIXPASA-N	402.453	5.372	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916976946	YBBUHFMVAXIIDR-KRWDZBQOSA-N	401.318	5.926	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	917749220	ANPRHDIWZMWJEP-HIFRSBDPSA-N	421.349	5.250	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(C)n(C2CCCCC2)c1C	920105787	MAOWQAGJGZICKA-NRFANRHFSA-N	401.510	5.605	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C[C@H]1CCOC1)C1CC1	1359145476	QZANHINDPNTUFI-QGZVFWFLSA-N	414.981	5.000	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1	1789625903	DZYUYHLSGQAJJF-UHFFFAOYSA-N	414.933	5.673	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCCCC(C)(C)C)CC2)C1	1823703184	RVBOQNKITCKBQE-HSZRJFAPSA-N	416.650	5.569	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC(C)(C)C2)CC1	1829070698	LOAGOSPIJFWISB-OAQYLSRUSA-N	402.623	5.035	30	20	HKED	
CCCCOc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)ccc1OC	7165142	XCPPBAOQVUOGLD-ZHZULCJRSA-N	410.539	5.383	30	20	HKED	
CCOc1ccc([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	11439625	XVRCZHXQRMINCE-OAQYLSRUSA-N	423.582	5.063	30	20	HKED	
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1	59813320	YNNBHKBATLBCJM-KRWDZBQOSA-N	418.468	5.134	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c2ccccc21	96966207	VZHXJYWAJIBCRP-NRFANRHFSA-N	414.534	5.184	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)c1	426172609	BXYQHTGLNDDYHU-SFHVURJKSA-N	403.894	5.810	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1c(-c2cccc(Cl)c2Cl)noc1C	430416217	HXYRJLCVGWQRGD-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2csc(-c3ccccc3Cl)n2)s1	430631853	VSIXPJQDZAHNEC-GFCCVEGCSA-N	401.944	5.708	30	20	HKED	
C[C@@H](c1ccccc1)n1cnnc1SCCC(C#N)(c1ccccc1)c1ccccc1	434650436	MXGIATSPUKTFBV-NRFANRHFSA-N	424.573	5.879	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)Nc1ccccc1SCC#N	434747243	PWFKHVCZNXWXDH-CYBMUJFWSA-N	408.354	5.241	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1F	437458472	JEAWXHZMFUYCFF-UHFFFAOYSA-N	415.399	5.876	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cc(C#N)cs2)cc1	437673016	JWKVJNFMAWKXSF-UHFFFAOYSA-N	403.507	5.422	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438653349	XQYAIVBFQZLBRY-UHFFFAOYSA-N	411.383	5.432	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1	439296404	MPFJREMSTUBUTB-QFIPXVFZSA-N	401.514	5.221	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CCC#N)c1ccccc1	439668788	BWBMVYZBZIAUDD-BEFAXECRSA-N	409.942	5.530	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(CCC(F)(F)F)c3)o2)cc1	440706188	SLUALOBSPMRNOO-UHFFFAOYSA-N	414.383	5.477	30	20	HKED	
N#CC1CCC(CNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CC1	441140793	NFYDVVTXQNDGSE-XMHGGMMESA-N	411.505	5.374	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4cscn4)c3)n2)cc1	442675981	GIUQFAOLCWGDNL-GOSISDBHSA-N	401.516	5.732	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1C#N	445573554	WAAQIDHCNCPILY-UHFFFAOYSA-N	403.294	5.025	30	20	HKED	
CN1C(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(=O)C12CCCCC2	445987569	GRECNSRHEVQCOG-UHFFFAOYSA-N	409.873	5.105	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(c3cc(C(C)=O)ccc3C#N)C2)n1	447687137	BQAGJLGYFUNADH-LJQANCHMSA-N	417.534	5.277	30	20	HKED	
COCCN(C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(C#N)cc1	460351839	XQBILVOSEXMSJG-UHFFFAOYSA-N	420.896	5.084	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	463506587	KYBABGXERGTKQM-UWVGGRQHSA-N	423.284	5.049	30	20	HKED	
CSc1cccc([C@H](NC(=O)c2cccc(CC#N)c2)c2ccc(F)c(F)c2)c1	464131955	QKKPAARTDUEZBZ-QFIPXVFZSA-N	408.473	5.272	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1cc(C(F)(F)F)ccn1	464411414	PJIHHZDHNVUSFS-HNNXBMFYSA-N	420.312	5.675	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c2cccnc12)c1c(F)cc(C(F)(F)F)cc1F	464461939	PIOHPAKPICWGJO-UHFFFAOYSA-N	418.268	5.386	30	20	HKED	
COc1ccc(N(C)C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl	466911411	RTYRKDMDGDDBOZ-UHFFFAOYSA-N	422.916	5.019	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	468204222	ABAGEVOJXJJLQF-MNOVXSKESA-N	407.285	5.327	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccccc3)c3ccc(F)cn3)ccc21	469304005	YGYBKPILALHWKA-VWLOTQADSA-N	414.484	5.005	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(F)ccc3OC(F)F)c2)cc1	470129256	VCWAEFKEPBMGGB-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
COC(=O)c1nc([C@H]2CCCN2Cc2ccc(-c3ccccc3C#N)cc2)sc1C	470996917	SIBDOEVGIIMDNO-OAQYLSRUSA-N	417.534	5.114	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	471692569	LCXUEIFEUVJWAJ-OAQYLSRUSA-N	415.537	5.510	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1	473183881	IRZJSYANHQZJRR-HXUWFJFHSA-N	424.909	5.279	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1	473834261	ZVDJOTISJGFQQD-IBGZPJMESA-N	416.550	5.883	30	20	HKED	
COc1ccc([C@@H](C)[C@H](C)NC2CCC(Oc3ccccc3C#N)CC2)cc1OC	474813633	AAWPENNCPNDWSJ-HTAFUYNTSA-N	408.542	5.047	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1	475556744	SGCZQVDXQUBHEP-HXUWFJFHSA-N	410.562	6.194	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1	475558977	MJZNLSMMRMUMSW-DEOSSOPVSA-N	421.585	5.042	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCc2c(O)cccc21	476009702	IOCDMATYNNTICD-QHCPKHFHSA-N	412.489	5.210	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)COc1ccc(Br)cc1F	476081235	RZGIHMSSPDAKPA-UHFFFAOYSA-N	406.295	5.458	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2nc(-c3ccccc3)oc2c1	476202821	NCWWIYGHNOFEOC-GGAORHGYSA-N	407.473	5.407	30	20	HKED	
Cc1coc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc12	477679278	JDAUCGXWSHOPSU-KRWDZBQOSA-N	423.472	5.096	30	20	HKED	
COc1ccccc1Oc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1	478323047	IZBAUHQTVJGHSP-UHFFFAOYSA-N	424.504	5.049	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	480997074	BAYIXMGOFJZSEA-QGZVFWFLSA-N	421.566	5.107	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1Br)c1cccc(OCc2ccccn2)c1	481332234	SMCXZKSPDJFLSR-INIZCTEOSA-N	422.326	5.146	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3cccs3)cc2F)c1	481592285	AXSGLCFUKSZBFK-HXUWFJFHSA-N	421.497	5.707	30	20	HKED	
Cc1nnc(N(CCC(C)C)C(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc12	483989299	UXWDDZBXDPLNIZ-OAQYLSRUSA-N	400.526	5.405	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	484161814	OOKQBXJOLLNKRD-YVEFUNNKSA-N	411.424	5.503	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1	484207553	ZMDODPFIDKAHDT-UHFFFAOYSA-N	415.449	5.227	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccn1	488898048	MAYGOCYDOOAHGJ-CYBMUJFWSA-N	412.469	5.124	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccccc2NC(=O)C[C@H]2C=CCC2)c1	492359261	WBBQZPLEXQPUAO-HNNXBMFYSA-N	410.315	5.228	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496332351	QYNLEDPCAWHMFW-OAHLLOKOSA-N	420.460	5.197	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)c(OC)c1	496915802	UVXOXEQAXAETJW-UHFFFAOYSA-N	416.688	5.107	30	20	HKED	
CSc1ccc([C@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1	500230089	ILTSZLSYBXMTAU-INIZCTEOSA-N	410.587	5.103	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)cc1	503627738	VPTIONDWKRURNC-UHFFFAOYSA-N	420.472	5.688	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1	508384028	APBOGVGFGIJVLB-UHFFFAOYSA-N	424.460	5.280	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)c1	509095257	NFULTEJINYVAAP-UHFFFAOYSA-N	403.438	5.225	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2cc(F)ccc2C1	509688155	YBEZCFJHVDBHRV-UHFFFAOYSA-N	401.441	5.388	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	509922225	AVXFQLJDXGOZKS-CTNGQTDRSA-N	415.459	5.301	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3cccc4ccccc34)C(F)(F)F)o2)c1	510419458	ICFYDGZHGQQTPZ-FQEVSTJZSA-N	408.383	5.155	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	510857851	RVTJBWOUFVYQHX-VWLOTQADSA-N	411.505	6.336	30	20	HKED	
O=C(CCc1ccc(Cl)c(Cl)c1)NCC#Cc1cccc(C(F)(F)F)c1	510990675	DKVUJVBDKLFUOA-UHFFFAOYSA-N	400.227	5.113	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(COc2ccccc2C#N)o1	511732066	WAYSDKGYVFNEOK-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1	512802084	QLCGAXUUTCJFMQ-MSOLQXFVSA-N	423.532	5.081	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)c2)cc1	513551974	VAFFSLWLZSVDOW-FQEVSTJZSA-N	414.427	5.545	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C(C)C	515200080	HCOBBROHCTZNLY-SFHVURJKSA-N	420.582	5.298	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	517513169	JINJXQFYMYJNLH-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1	517779523	OHQRHNUZJPVJDX-UHFFFAOYSA-N	415.541	5.369	30	20	HKED	
Cc1nccn1-c1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1F	518252811	GTPYGGJWVAVXFT-OAHLLOKOSA-N	423.517	5.036	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccccc2c1Br)c1cccc(Cl)c1Cl	519485375	WYPQGBAQWVSWMT-ZDUSSCGKSA-N	423.097	5.232	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1c(Cl)cccc1Cl	521241103	WRHRTDDPFGJKPD-CQSZACIVSA-N	406.269	5.251	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2ccccc2)cc1Cl	521344650	PQWJQCQTADZZEQ-QFIPXVFZSA-N	418.928	5.619	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(C3CC3)ccn2)cc1	521695564	RPTJTHBKCDBBAE-UHFFFAOYSA-N	400.457	5.204	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(-c2ccccc2F)o1	521725970	JURWXNXBWKLGBN-MRXNPFEDSA-N	408.498	5.909	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccco1	521810410	NRJVWGNJABCSFG-SFHVURJKSA-N	405.523	5.908	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1	522632868	WDLPVGSNMKESBF-OAQYLSRUSA-N	423.944	5.094	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCOC1CCCCCC1	522839118	KTIYNXCNPPPDTK-UHFFFAOYSA-N	421.541	5.307	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1	523133680	QYVTUTAVQFEADB-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	524020894	YGRIGESRMHMRIN-UHFFFAOYSA-N	420.366	5.115	30	20	HKED	
C=CCC[C@@H](NCc1cnc2c(cnn2C(C)C)c1)c1ccc(C(F)(F)F)cc1	533391991	ZHTIWODJVDDKTM-HXUWFJFHSA-N	402.464	5.828	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccccc1	534681686	LYVVUKDMFZBFHP-NZQKXSOJSA-N	414.549	6.488	30	20	HKED	
N#C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ccc(OCc2ccccc2)cc1	535065112	ZSEGDRCUQPPWEB-XCXBADJLSA-N	418.512	5.255	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Cl	536384139	UBNZJSQXWCEXBP-UHFFFAOYSA-N	424.791	5.127	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	536708264	ZZCLVRVFBCSMQD-SFHVURJKSA-N	407.587	5.545	30	20	HKED	
C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Oc2ccccc2)c(F)c1	540370954	WVDAUKUIOZUHPE-INIZCTEOSA-N	414.440	5.390	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C	540886695	RVTKOEIRBOUVKF-NSHDSACASA-N	419.900	5.095	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1	543645666	HGTMOXRGJWPJOO-AZGAKELHSA-N	416.496	5.286	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1	551001295	YKNVHFXTAXNSOW-GOSISDBHSA-N	402.519	5.281	30	20	HKED	
CN(CCCC1(C#N)CCOCC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	551714037	QTEQMTVIOLMRAV-UHFFFAOYSA-N	408.386	5.257	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C#N)CC1	555241376	YIWOWPJFVWWRSM-QGZVFWFLSA-N	413.953	5.004	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nc2c(Br)cccc2s1)c1ccccc1	562869325	IUNZVWGQQSBHPV-ZDUSSCGKSA-N	400.301	5.085	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccccc1SCc1csc(C)n1	562880579	OHVIPFMTXNWIMN-UHFFFAOYSA-N	400.594	5.634	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(Oc4ccc(Cl)cc4)cc3)o2)c1	566544631	LCYGIGPLFVTZEF-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
CSC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSCc1ccccc1	576668506	YUNRWIAJUNXVAV-QFIPXVFZSA-N	410.564	5.241	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	579913127	NFJDGLYVULWINR-UHFFFAOYSA-N	421.394	5.078	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC(OC4CCCCC4)CC3)c2)c1	581210682	WCFSFHUQQBJELS-UHFFFAOYSA-N	418.537	5.091	30	20	HKED	
CC(C)(C(=O)NCc1ccc(C#N)c(Cl)c1)c1csc(-c2ccccc2F)n1	590364613	LLEVKQCZJAWSRL-UHFFFAOYSA-N	413.905	5.068	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1nc2cc(F)ccc2s1	592975412	DNRCBVREAQYATR-INIZCTEOSA-N	413.433	5.734	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Oc1ccc(F)cc1	603533177	ROINQLCWEPLHMZ-QGZVFWFLSA-N	406.432	5.146	30	20	HKED	
CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(C2CCCCC2)cc1	603706150	IJYYONLNRQUHAL-HSZRJFAPSA-N	403.526	5.058	30	20	HKED	
COc1cccc(COCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	603758693	AZLIHYYNEKCQIY-QFIPXVFZSA-N	420.896	5.159	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1N1CCCC1	604267939	HEIOQLRJERJRDL-UHFFFAOYSA-N	413.546	5.240	30	20	HKED	
CC(C)c1nc(C(=O)/C=C\c2cccc(/C=C\C(=O)c3coc(C(C)C)n3)c2)co1	606443317	ORUCUCYCDMLZSD-WGEIWTTOSA-N	404.466	5.702	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)c1	607394844	ZABPKGNLPQPKTM-UHFFFAOYSA-N	415.562	5.565	30	20	HKED	
CCOc1c(F)cccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	608552844	DURBBVQBKHZXCR-LBPRGKRZSA-N	408.376	5.343	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(Br)ccc1Cl	608945564	OZIKKZKKPLULPD-UHFFFAOYSA-N	411.686	5.893	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(C3CC3)[C@H]3CCCc4ccccc43)cc2)nc1	609499794	ZZBQAZUIDHIHAQ-DEOSSOPVSA-N	409.489	5.428	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2ccc(F)cc12	609641945	MCJYNIMJOOUKDP-UHFFFAOYSA-N	415.443	5.402	30	20	HKED	
CO[C@@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1	609729497	GGBQJJABYKADBJ-QFIPXVFZSA-N	406.869	5.121	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1C	610053695	ILOAKNYUVROPSA-DNQXCXABSA-N	406.489	5.256	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)C1(C#N)CCCCC1	610156289	WSGIQUGUBYESFV-UHFFFAOYSA-N	418.516	6.144	30	20	HKED	
CC(C)OC1CCC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1	611184382	PXLDHXVXJYBDPQ-UHFFFAOYSA-N	412.917	5.470	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1	615614313	FKURMFZHPKHDJA-KRWDZBQOSA-N	400.494	5.082	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)[C@H]4C[C@H]4C)cc3)n2)cc1	642281101	JAQPCGKZJGMCQO-UIAACRFSSA-N	415.518	5.203	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1OC(F)(F)F	678749060	YLTJOZQPKZPJPW-IUCAKERBSA-N	423.275	5.225	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	726079986	JFKUUANGICCQQD-UHFFFAOYSA-N	422.598	5.107	30	20	HKED	
CC(C)Oc1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2C#N)cc1	726484698	DVULIIUFRPDITN-UHFFFAOYSA-N	401.535	5.749	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccccc3C#N)cc2Cl)c1	727978187	BDWYWPGBFODYHL-UHFFFAOYSA-N	418.909	5.471	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)c(C#N)c2n1CCC2	731939410	XFZPBAOKHPMEGM-CSKARUKUSA-N	403.463	5.147	30	20	HKED	
C[C@@H]1CCCC[C@@H]1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	733680318	ZQNHSJFINSGPPZ-YFROIQMUSA-N	423.365	5.888	30	20	HKED	
CCCCCCCC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1	735254957	XPUXVEOAUKRCBS-UHFFFAOYSA-N	409.498	5.238	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	739157407	VYZWELLNOKWMSX-MRXNPFEDSA-N	403.438	5.403	30	20	HKED	
Cc1cc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1-n1cncn1	742434858	OXWZFAJOUUIRBB-ONNFQVAWSA-N	404.470	5.043	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1cccc(F)c1	743093395	TWABPEPUOROJHO-GAJHUEQPSA-N	403.457	5.070	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Br)c(F)c2)cc1	743447989	YYHIJSYEASKZPD-MLGOLLRUSA-N	417.278	5.063	30	20	HKED	
Sc1nnc([C@@H]2CCCCO2)n1N=Cc1ccc(-c2ccc(Cl)cc2)s1	743452757	XOXNYHHEBUBOSK-HNNXBMFYSA-N	404.948	5.073	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C)cc3C)nc2C)c1	746416599	OLUYXMAUMXXSGW-LJQANCHMSA-N	403.507	5.005	30	20	HKED	
N#Cc1csc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1	748440346	KADWJBGDMAIXNG-AWNIVKPZSA-N	407.307	5.114	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1CNc1ccccc1Oc1ncccc1C#N	749260899	CGRXDZQAQVANRU-UHFFFAOYSA-N	415.884	5.505	30	20	HKED	
C=CCC[C@@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1	749942990	FWBDAKWEJDGGJQ-RTBURBONSA-N	403.400	5.131	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(COc2ccccc2)c1	752649190	MOEUQHMUWAWZGH-JWQCQUIFSA-N	411.505	5.569	30	20	HKED	
N#CCSc1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F	756981260	KDMDRTKJNOPTMX-UHFFFAOYSA-N	417.264	5.140	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1Br	758308656	PXFSLHVEMYDQJS-NSHDSACASA-N	420.288	5.004	30	20	HKED	
N#CCCn1ncc(C(=O)OCc2csc(-c3cccs3)n2)c1-c1ccccc1	759080292	SPYYMCVYQPGYBP-UHFFFAOYSA-N	420.519	5.006	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1	761338492	PJMIMPUPYCNJAL-UHFFFAOYSA-N	421.840	5.435	30	20	HKED	
Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2)c1	761815098	FGYMRCSDVRUEIA-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)cs1	766696992	ZIVCKSAQLTZUKR-HXJASHHUSA-N	422.937	6.173	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H](O)c2cccc(F)c2)cc1Cl	772592919	IIUGDLROTXQFOF-UNMCSNQZSA-N	408.860	5.197	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)Cc1ccc(Cl)cc1	772647445	YPWXRDOXRVCHSZ-QRWLVFNGSA-N	419.937	5.780	30	20	HKED	
COC[C@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nccs1	774674895	VDNQTZYKZHQHIK-SFHVURJKSA-N	414.870	5.005	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3ccc(F)cc3C2=O)cs1	776193836	VLCQDKDOSWZGLJ-XNTDXEJSSA-N	410.445	5.318	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	780512823	TVLRJZUIHWZWCP-OAHLLOKOSA-N	418.428	5.013	30	20	HKED	
CCOc1c(Br)cc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)cc1OC	787186627	MMYHMVRQFSETRP-CMDGGOBGSA-N	421.335	5.012	30	20	HKED	
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(C(F)(F)F)cnc1Cl	790714110	YPWZPOFTABDWJG-UHFFFAOYSA-N	416.680	5.086	30	20	HKED	
Cc1ccc(C)c(-n2nc(C)c(/C=C/C(=O)c3ccc(C(=O)N(C)C)cc3)c2Cl)c1	792923967	KKBBPXZJGFHHFC-OUKQBFOZSA-N	421.928	5.049	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1	796891192	DAFRYSFSGVRKPO-SFTDATJTSA-N	423.472	5.085	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1CC(c2ccc(F)cc2)C1	797014937	UEPYRFUREXCTMB-UHFFFAOYSA-N	408.260	5.034	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1)c1ccccc1	799379063	AWMLZSZSFODMTO-FPOVZHCZSA-N	415.578	5.030	30	20	HKED	
FC(F)(F)CCCCNC(=S)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	800826266	SDWONGQAZSWPHK-OAHLLOKOSA-N	416.406	5.183	30	20	HKED	
Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	804485031	ZVOOZUMUNBOLCC-MHECFPHRSA-N	416.546	5.011	30	20	HKED	
CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc(Cl)cc(Cl)c1O	806155027	LLSUBNDHBABHHT-LJQANCHMSA-N	420.340	5.095	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(OC[C@@H]4CCCO4)CC3)n2)cc1	815910634	CQFYDOIBCIZBNG-JSRAGOMMSA-N	424.566	5.049	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3sccc3Br)no2)c2ccccc21	904892929	MFFFZGOFKFMCGY-UHFFFAOYSA-N	413.300	5.486	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cs2)c1	915087901	XWZUGSNAEWDXSC-XMMPIXPASA-N	423.541	5.955	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC(F)F	915862663	NNCAJAMBSBMCQB-LJQANCHMSA-N	408.404	5.204	30	20	HKED	
O=C1/C(=C\c2ccc(OCc3ccncc3)cc2)CC/C1=C/c1cccc([N+](=O)[O-])c1	915986797	DLCSXVYIEBCAMO-HHQODBOJSA-N	412.445	5.399	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Br)s2)cc1Br	916134212	GNDNLBKBRUDTJF-RQOWECAXSA-N	402.107	5.178	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1	916911080	VJLCTMUHXDOFGK-QFIPXVFZSA-N	412.489	5.376	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12	916916846	AYVARDLOIMXHBO-QFIPXVFZSA-N	410.498	5.433	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1	917047123	RLSFVPXAQBVNJL-IYNGYCSASA-N	422.815	5.738	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COc1ccccc1Cc1ccccc1	920105890	HPZSJZJTBNBDEQ-QFIPXVFZSA-N	422.484	5.038	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1oc2c(C)ccc(C)c2c1C	920109887	VCLJEJYIJFNELG-LJQANCHMSA-N	402.494	5.444	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3ccc4ccc(Cl)cc43)n2)cc1	920110553	NYKASRXJGGVVSP-SFHVURJKSA-N	405.910	5.603	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(-c2ccncc2)cs1	920268706	PHTMWQHCAXIAOW-SFHVURJKSA-N	414.490	5.059	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	920325408	ZJNXLWWXYRNQOX-HXUWFJFHSA-N	402.494	5.234	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(-n2cccc2)cc1)c1nc(-c2c(F)cccc2F)cs1	920805568	DLAZDYSKKJIIFA-QGZVFWFLSA-N	419.456	5.298	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(Cl)c2F)c2ccc3nc(O)[nH]c3c2)cc1	1167789853	ZWWYAHXHQDBPDO-UHFFFAOYSA-N	406.848	5.139	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)sc2c1CCCC2	1354847858	LKIRAGZNALLJPA-UHFFFAOYSA-N	409.898	5.172	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@]3(F)Cl)CCC2)cc1	1785842083	JOZWRIFXWWJGPC-HTAPYJJXSA-N	406.929	5.037	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3)CCC2)cc1	1786679558	UDIHUZDMZRXNBY-UHFFFAOYSA-N	414.958	5.007	30	20	HKED	
N#CCC(=O)NC1(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CCC1	1788990244	GIJTZIDFOBCIEQ-UHFFFAOYSA-N	423.925	5.216	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1	1791588117	BHSBUEGIWKWHMT-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CCn1c(SCC(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccc(F)cc1	8332701	BDLDSCRWDCVECU-FQEVSTJZSA-N	424.545	5.020	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1	15580385	KCRZQPLOFOJHFA-RUZDIDTESA-N	408.457	5.095	30	20	HKED	
C[C@@H](Sc1ncnc2ccsc12)C(=O)Nc1sc2c(c1C#N)CCCCC2	22005550	AJEOTGLJJJTBIJ-LLVKDONJSA-N	414.581	5.013	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1ccc(C(CC)CC)cc1	22796326	SLBIOISNSXSEKE-UHFFFAOYSA-O	409.619	5.599	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccccn1	46440503	MTYOGEDFTPBGPW-QGZVFWFLSA-N	409.854	5.284	30	20	HKED	
Cc1ccccc1C1(CNC(=O)c2ccccc2-c2ccccc2C#N)CCOCC1	56364550	ZVWVHAAFUJOJMJ-UHFFFAOYSA-N	410.517	5.012	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(OC(F)(F)F)cc1	71929619	YPUPMUVFMQZVMK-UHFFFAOYSA-N	410.395	5.096	30	20	HKED	
N#CCCn1cc(C(=O)CN(Cc2ccco2)Cc2cccs2)c2ccccc21	96966189	OBLOHRBIXYCOJZ-UHFFFAOYSA-N	403.507	5.095	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H]3C(=O)Nc4ccccc43)cc2Cl)cc1	216497729	AGSLMBOSGYLPJD-SFHVURJKSA-N	417.852	5.068	30	20	HKED	
N#Cc1cc(NC(=O)c2ncncc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1	426921648	SQCWUKKRLFGDGR-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	427802718	WXYUMQHGHXANJD-OAHLLOKOSA-N	406.473	5.701	30	20	HKED	
FC(F)(F)c1cccc([C@@H](NCc2ncccc2C(F)(F)F)C(F)(F)F)c1	429339201	ZRYKLEIAQBAOHH-CYBMUJFWSA-N	402.260	5.512	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	429372944	PCCXJZYJXLYFJB-SMDDNHRTSA-N	417.943	5.426	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(C#N)cc3Cl)c12	430349522	AZTOMBDVVMUCJD-UHFFFAOYSA-N	409.921	5.396	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H](c1ccccc1)c1ncc[nH]1	432756673	ZKFMNTZLVZBAOC-HSZRJFAPSA-N	423.476	5.327	30	20	HKED	
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(C)CC(C)(C)C#N)cs1	433304000	MCTMKFIDQAUXHH-UHFFFAOYSA-N	411.358	5.116	30	20	HKED	
CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cc(Cl)ccc1C#N	436002524	JQYZFXMTTGNAEE-UHFFFAOYSA-N	400.265	5.116	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1F	438657209	UKMLKXDJWRVHAS-OAQYLSRUSA-N	419.431	5.998	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)c(F)c3)n2)cc1	439648081	QKHPQRQPMXIBOV-CQSZACIVSA-N	415.371	5.330	30	20	HKED	
CCC(CC)(NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)c(Cl)c1	440314528	KLHKWDVTGCKSKY-UHFFFAOYSA-N	415.324	5.720	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc2cc(Cl)ccc2s1	442671238	LLQYZVKFGZAXOS-HNNXBMFYSA-N	420.881	5.367	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cc1	444893455	FTPWMUMBOCSBSG-ZIAGYGMSSA-N	418.360	5.726	30	20	HKED	
CCOc1cccc2[nH]cc(CC(=O)Nc3sc(-c4ccccc4)cc3C#N)c12	445678798	SBWKSTRMTSCUBX-UHFFFAOYSA-N	401.491	5.348	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1	446214870	GOEKIPITLUUGQI-MSOLQXFVSA-N	413.587	5.453	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)c1	446883317	FXPSIGWPJSFLQU-UHFFFAOYSA-N	417.484	5.050	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1	460382491	FXNZMASPLBUGFA-SFHVURJKSA-N	420.479	5.089	30	20	HKED	
C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	460788464	VQEYBVLIBRZOJP-LJQANCHMSA-N	416.554	5.176	30	20	HKED	
CCO[C@H](c1noc([C@H](C)c2cccc(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	463044846	PWAROJFXLGSABE-XIKOKIGWSA-N	419.378	5.377	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cccc(C#N)c1	463469032	IPTJMUJIWHPNQH-OAHLLOKOSA-N	409.917	5.016	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cs1	463981604	NQGYJDCQNGYEOS-MRXNPFEDSA-N	420.538	5.128	30	20	HKED	
Cc1cc(C2CC2)nc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	464599386	QOVFVCKVONKHSY-UHFFFAOYSA-N	404.857	5.232	30	20	HKED	
COc1ccc(-c2nc(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)cc1OC	464826614	ZVANHQMVLCOUBH-NHCUHLMSSA-N	419.550	5.099	30	20	HKED	
CC[C@H](C)[C@@H](NC(=O)N(CCOC)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	466067543	NILSIFGNTZRUHT-HTAPYJJXSA-N	413.949	5.157	30	20	HKED	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	466146321	RBWUANFVKGBHDH-PSBKLILYSA-N	423.944	5.321	30	20	HKED	
Cc1ccc(CC[C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1	466211128	UOKPXAORAWNLQC-SFHVURJKSA-N	417.509	5.376	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(SCc3ccccc3)cc2)CCC[C@@]12CCCCO2	468646303	WYKSRERDCQONOS-VWNXMTODSA-N	406.551	5.046	30	20	HKED	
Cc1ccc([C@@H]2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c(C)c1	471001548	QDJXZNLMCKBDFG-VQTJNVASSA-N	407.583	5.126	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	475000656	MFXKCENYTKQGGQ-SFHVURJKSA-N	407.493	5.546	30	20	HKED	
CCCOc1cc(OC)ccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	475341890	FYKZJIJYBDXVQV-UHFFFAOYSA-N	417.465	5.104	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3csc(-c4cccc5ccccc45)n3)nc12	480942652	PXJIEDKHCJAZAP-KRWDZBQOSA-N	409.474	5.033	30	20	HKED	
N#Cc1cccc(OCCCSc2nnc(-c3cccs3)n2Cc2ccco2)c1	481377959	XNDCTOCWPMYEPI-UHFFFAOYSA-N	422.535	5.081	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482454031	XJSXGDRYKVVIBF-HHXXYDBFSA-N	423.385	5.050	30	20	HKED	
Cc1sc(NC(=O)C[C@H](CC#N)c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	483355464	VMUHQFTUSABVKK-INIZCTEOSA-N	406.467	5.053	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccn1	488898060	MAYGOCYDOOAHGJ-ZDUSSCGKSA-N	412.469	5.124	30	20	HKED	
CCN(CCC1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1)CC1CC1	497434626	JYKDLUOGMLDCRB-UHFFFAOYSA-N	409.599	5.056	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Cc1ccc(Br)cc1	498298040	OKTNIAZTAFIKRY-CABCVRRESA-N	417.372	5.661	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	500372760	WMGCOPBSEUAIIQ-LUGPXAIHSA-N	420.578	5.111	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)sc2nc(C(F)(F)F)ccc12	502771562	CAPOVYCVMVWNJL-UHFFFAOYSA-N	421.469	5.688	30	20	HKED	
C=CCc1ccc(OCC(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)c(OC)c1	503807699	XZTRBQJLKJSLGH-MRXNPFEDSA-N	422.550	5.112	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccccc3SCc3cscn3)CC2)cc1	503897581	NUIPLABWPAHNPP-UHFFFAOYSA-N	417.559	5.237	30	20	HKED	
Cc1sc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c(C#N)c1C	508926642	WLJBQJBPBIFFKX-UHFFFAOYSA-N	407.442	5.631	30	20	HKED	
Cc1cccc([C@H](NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C(F)(F)F)c1	510470233	HZLGJZAAAMNDGU-QRWLVFNGSA-N	421.488	5.079	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)c1ccccc1F	514634824	LQBFVZRPSBSNHJ-AGHHOFFYSA-N	406.505	5.046	30	20	HKED	
C=CCn1c(SCc2cccc(N)c2)nc2scc(-c3ccccc3)c2c1=O	515419000	NGSBZKLGWSIKPJ-UHFFFAOYSA-N	405.548	5.186	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3cccs3)on2)cc1	516139984	PTGWQXFNDSWBKB-UHFFFAOYSA-N	415.474	5.300	30	20	HKED	
COc1ccc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)c(C)c1OC	517198909	YLBMJUKJLQVYGT-IBGZPJMESA-N	416.521	5.314	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCC(F)(F)F)c1	517530149	OLQHHKGFOYRJKQ-AWEZNQCLSA-N	423.460	5.344	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cc1csc(COc2ccc(F)cc2)n1	519907909	QBVKOFRRKCIJKX-UHFFFAOYSA-N	409.530	5.391	30	20	HKED	
CCOc1ccccc1CN(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	520331838	JMLXZLGXMPHDAP-UHFFFAOYSA-N	400.478	5.216	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3nc(-c4ccc(Cl)cc4)no3)c2)cc1	521530453	IAPOXZFSZUBVRO-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1OC	521572396	LWCXXIFWVHDFFA-UHFFFAOYSA-N	424.884	5.140	30	20	HKED	
Cc1noc(CSc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)n1	521799694	FMMDTJUQKWNIGL-AWEZNQCLSA-N	424.551	5.317	30	20	HKED	
COc1cc(CSCc2noc(C(C)C)n2)ccc1OCc1cccc(C#N)c1	522630510	PYPNTGSZGFAVFM-UHFFFAOYSA-N	409.511	5.086	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(-n3ccnc3)c2)c1	522641067	NGEHDOZXAJSGFL-UHFFFAOYSA-N	414.852	5.442	30	20	HKED	
CCSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	524422948	PGFMNVMIWOTZNI-UHFFFAOYSA-N	402.519	5.810	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccoc1)C1CCCCC1	532577619	OLHPQZMQXGXDPS-GOSISDBHSA-N	411.571	5.305	30	20	HKED	
CC(C)c1c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cnn1-c1ccccc1	535783457	YZTSMKLJKVESOW-IBGZPJMESA-N	412.415	5.009	30	20	HKED	
C[C@H](c1nnc(SCc2cccc(C#N)c2F)n1-c1ccccc1)N1CCCCC1	539249847	KDKAKUWVYYPXFX-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
CN(CCC(=O)Nc1sccc1C#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	539578345	HMWFKCNTFDYBBQ-ROUUACIJSA-N	421.488	5.235	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](C#N)CCc3ccccc3)s2)cc1	539934541	QQYBTVUOSUINQD-UTKZUKDTSA-N	403.551	5.377	30	20	HKED	
Cc1cccc([C@H]2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)C2)c1	541437113	VDBSEUDLJHJUKZ-QFIPXVFZSA-N	424.504	5.140	30	20	HKED	
CN(C(=O)c1ccccc1-c1ccccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1	542566124	PXIJMNRTJNTIPZ-OFVILXPXSA-N	414.480	5.357	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC(F)F	542946985	IWZIQJNAMUIRQK-INIZCTEOSA-N	408.448	5.686	30	20	HKED	
CC(=O)NC1(c2noc(-c3ccc(Oc4ccc(C#N)cc4C)cc3)n2)CCCCC1	545015485	RLTMMXRYKLNOCA-UHFFFAOYSA-N	416.481	5.005	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)[C@H]1CC[C@H](C(F)(F)F)C1	552142305	SPPKZTQOEIXVDU-JBLDHEPKSA-N	423.275	5.283	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1	560589045	PQCHIOHJIXOXDV-UHFFFAOYSA-N	423.727	5.340	30	20	HKED	
Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1sc2ccc(C#N)cc2c1C	568422157	ZPZGFRQACFHVSQ-UHFFFAOYSA-N	422.460	5.165	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Cl)cc2OCC(F)F)sc2ccc(C#N)cc12	573230128	XGDHHYFRSYFHDY-UHFFFAOYSA-N	406.841	5.631	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)cs1	573375686	OZSWIRZIDOYHIQ-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccc(COc2ccccc2Br)cc1	575086526	SZHNWUHMCQXMOG-UHFFFAOYSA-N	415.331	5.088	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H](C)c1cccc(C#N)c1	586778343	UZFLIIZVRGQYOS-STQMWFEESA-N	409.839	5.298	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)cs1	591589440	PIEIUUVHIPCCBD-UHFFFAOYSA-N	411.577	5.418	30	20	HKED	
N#C[C@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc2cc(F)ccc2s1	592973836	JCKLBWDSPXGISO-LLVKDONJSA-N	421.305	6.447	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)COc1ccc(-c2nc3ccccc3s2)cc1Cl	603897622	RKWASYGMWDRFNH-CQSZACIVSA-N	413.930	5.004	30	20	HKED	
C=CCCCCCN(C)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C	606925195	XHYDVETWABBTGR-QGZVFWFLSA-N	401.576	5.576	30	20	HKED	
C[C@@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1C(F)(F)F	607835272	OAZMESFWXIWPAG-SECBINFHSA-N	407.276	5.152	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc2ccccc21	609168311	BDLHHWSVNCMJOH-UHFFFAOYSA-N	416.868	5.045	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCOc1ccccc1-c1ccccc1	609376819	KBPPLVATKPATDJ-IBGZPJMESA-N	416.546	6.013	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1cccc2ccccc12	609389527	UJYQQOKNMDLUOZ-QZTJIDSGSA-N	420.603	6.524	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccccc1C(F)(F)F	609438449	GOXHJJRSPFLLLW-UONOGXRCSA-N	407.461	5.982	30	20	HKED	
CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609729735	ODRAAQUUFHKJMW-UHFFFAOYSA-N	416.868	5.152	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c3ccc(C#N)cc3)s2)cc1	610090073	KOYLUWHXKWLHOI-FUHWJXTLSA-N	418.566	5.762	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc2ccccc2n1	610228544	AVFALFWOLDTANM-UHFFFAOYSA-N	413.864	5.829	30	20	HKED	
Cc1ccc(NC(=O)[C@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Cl	610346318	TVQNBONQPRZECF-GAJHUEQPSA-N	403.913	5.551	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1)c1ccccc1	611146142	DSJNTFOIUSPOKM-OFVILXPXSA-N	419.565	5.322	30	20	HKED	
CC(C)C[C@H](C#N)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	613402097	VPTCTHKHKGFQBV-CQSZACIVSA-N	403.891	5.067	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	615000309	RBMRFADRODCASU-UHFFFAOYSA-N	405.306	5.376	30	20	HKED	
O=C(CCCOc1cccc(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	617008433	LXWJKSCSPHVBJY-IMRBUKKESA-N	415.349	5.010	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)c1ccccc1	676457186	VNJSWUSEEWBNKS-INIZCTEOSA-N	422.472	5.103	30	20	HKED	
CC(=O)c1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C	684009186	ABBNJPMWTHHBKI-OAHLLOKOSA-N	402.397	5.316	30	20	HKED	
C[C@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CC#N)c2C1	725712860	INLBCTIWPWWCQY-ONZPZFSWSA-N	424.548	5.019	30	20	HKED	
CCCCOCCOCc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1	726485643	UFLSPHBHZXENOK-UHFFFAOYSA-N	417.962	5.354	30	20	HKED	
C#Cc1cccc(N2C(=O)/C(=C/c3csc(-c4ccccc4)n3)SC2=S)c1	726627517	RDWCZDTZVHIXFS-PDGQHHTCSA-N	404.541	5.197	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1Cl	727631687	HRMRNVARCCFKFZ-BLSFAOBESA-N	403.894	5.615	30	20	HKED	
C#CC[C@@H](OC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccccn1	727775640	MSUCWAXNABARLC-JOCHJYFZSA-N	418.518	5.026	30	20	HKED	
O=C(/C(=C\c1nccn1CC(F)(F)F)c1nc2ccccc2s1)c1ccccc1	728694908	MYBQQTOUFCWJFI-NTCAYCPXSA-N	413.424	5.479	30	20	HKED	
C[C@@H](CC#N)N(C)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C2CCCC2)c1=S	728902455	PQMUSHYNKRMWHB-KRWDZBQOSA-N	411.619	5.685	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Oc2ccc(Sc3ccncc3)cc2)c1	731983304	BOVKSUOARXUQLC-UHFFFAOYSA-N	404.491	5.259	30	20	HKED	
CCN(C(=O)c1ccc(C=NOC)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	732964665	WNWMGSHVMYMNEH-VWLOTQADSA-N	415.537	5.437	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3cccc(F)c3)CCCCC2)ccc1OC	733230420	OZOQQWGILULCIX-NRFANRHFSA-N	424.516	5.034	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1	734098247	HATMGQQZPCNHEI-UHFFFAOYSA-N	411.505	5.380	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1ccncc1	734237809	UZWHMMSWHQHQHV-QFIPXVFZSA-N	410.477	5.154	30	20	HKED	
Cc1cccc([C@@H]2CCCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)c1	735494948	LFPGYWFLYAXSNA-GMAHTHKFSA-N	410.521	5.149	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCOc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	735592623	CGMHMTUUCJUKBU-DOMZBBRYSA-N	416.424	5.448	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)nc2ccccc21	735764655	CWALUZVLJHAZOH-PSRXAIMNSA-N	417.940	5.452	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	739162537	YROXFJJSMJXQDL-DYVFJYSZSA-N	415.440	5.279	30	20	HKED	
COc1cccc2cc(/C=C/C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)oc12	741447788	PMKVLBXKSZKIOA-SDNWHVSQSA-N	410.491	5.054	30	20	HKED	
Cc1cccc(C2(O)CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1C	743152336	SIUPESPSQRMIEH-KRWDZBQOSA-N	423.582	5.071	30	20	HKED	
CCCCCCCOc1cccc(C=Nn2c(S)nnc2[C@@H]2CCCCO2)c1	743452285	UOEGWLKPBPQPQN-IBGZPJMESA-N	402.564	5.040	30	20	HKED	
CC(C)c1nc(C#N)c(NN=C(CCSc2ccccn2)c2ccc(F)cc2)o1	746680484	WDTISMJQQBEDCU-UHFFFAOYSA-N	409.490	5.202	30	20	HKED	
O=C(/C(=C/c1cccc(C(F)(F)F)c1)c1nc2ccccc2oc1=O)c1ccccc1	746958083	IDEFXGLXFWGLPP-NBVRZTHBSA-N	421.374	5.630	30	20	HKED	
CCCOc1ccc(CC(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1OCCC	747200185	DXUMRCZLODQWPD-HXUWFJFHSA-N	402.494	5.231	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	749004204	BDFZNMHWFPTLFM-QINSGFPZSA-N	423.559	5.423	30	20	HKED	
Cc1nc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)sc1-c1ccccc1	751995560	NCPXKGNZSFSDPX-VQTJNVASSA-N	402.523	5.422	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)c3ccc(F)cc3F)n2)cc1	752483295	LUMUEHJSGHGNLB-FZKQIMNGSA-N	412.461	5.467	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1OC(F)F	753228653	NTHCUZFSSMFQPJ-SZGUKTLCSA-N	402.466	5.724	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2CCC(F)(F)F)cc1OC	757015092	MOKUZTUIRFHJJU-LUAWRHEFSA-N	405.416	5.407	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1	769510908	TZWFMKRZFSQKIF-UHFFFAOYSA-N	412.965	5.122	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)cc1	769946300	QKDOOMCGNJXIHR-LVSMMTLPSA-N	420.818	5.196	30	20	HKED	
O=C(CCCC(F)(F)F)O[C@H](c1cc(Br)ccc1F)C(F)(F)F	770751513	XNFZODVTZRRJED-LLVKDONJSA-N	411.111	5.467	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cccc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	770843218	PWQJUPJHFQIFKM-KRWDZBQOSA-N	415.440	5.423	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	773430355	YPHQBMRXBKWGMQ-RBZFPXEDSA-N	408.851	5.891	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(C#N)s1	774165597	WVNSHKAJHLMNON-UHFFFAOYSA-N	412.518	5.780	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(Cl)c2ccccc2c1O	774589761	QSWBDUBCVWGCBS-UHFFFAOYSA-N	424.913	5.027	30	20	HKED	
CCCN(C(=O)/C=C/c1ccccc1C#N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	776965949	DUPNLOCBRNKTJO-HEAKDJBOSA-N	413.496	5.442	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1Cl	796307415	BRNJDDUOEHHNRO-OAHLLOKOSA-N	410.930	5.231	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCC[C@H]([C@H]5CCOC5)C4)c23)cc1	799108586	YHPLSZNAJYYETA-IRXDYDNUSA-N	422.554	5.362	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2c(Cl)cc(Cl)cc2N(C)C)ccc1OC	810145146	TYJTZKNISGFCKD-INIZCTEOSA-N	422.356	5.039	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2nccc3ccccc23)cs1	811698751	LTHIWJVUNPAOAY-FMIVXFBMSA-N	413.502	5.580	30	20	HKED	
C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1O	815556077	NPFRMGCLJXWCDR-IVZWLZJFSA-N	423.319	5.971	30	20	HKED	
CC(C)(c1ccccc1)[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(F)(F)F	816002030	JTNDGABASWTEDJ-MRXNPFEDSA-N	416.321	5.038	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C2SCCS2)cc1	916915934	LDENMIITSBOGKB-LJQANCHMSA-N	418.543	5.280	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C)o3)nc2C)cc1	916951686	ZWSBSYRATYZPDS-FZKQIMNGSA-N	421.522	5.495	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc(F)cc1F)c1nc2cc(Cl)ccc2s1	917046859	UZWIWNZICFXXJA-ZDUSSCGKSA-N	404.825	5.067	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CC(F)(F)F)C1CC1	920014046	ORRWRLRKVPRDPV-RJRFIUFISA-N	405.260	5.291	30	20	HKED	
N#Cc1ccc(COC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c(F)c1	921225151	QRQXBYPJVFEOIW-UHFFFAOYSA-N	407.253	5.485	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@](C)(CC)C1	1760368968	CUTVMWHDUYEARA-QFIPXVFZSA-N	402.970	5.000	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3N3CCCCC3)CCC2)cc1	1791589247	OKWVAVJFIVSXMC-UHFFFAOYSA-N	417.553	5.001	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(C)(C)CC1	1800231141	DSLZKELMYUTSRH-WKCHPHFGSA-N	402.623	5.224	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC(F)(F)C2)CC1	1823694659	YLUZGAZYOOVKCN-WOJBJXKFSA-N	424.576	5.034	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cc(OC)c1OC	6639917	ZVWCICOLYAVQFH-QPJJXVBHSA-N	401.673	5.569	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1cccc(C)c1	16862901	HUYLILLCXVWZMD-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(\S)Nc1cc(C)ccc1C	22729754	LETGLWMMAICURN-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nc3scc(-c4ccccc4)c3c(=O)n2C)cc1	24703767	HGOJBAXXFGKFMM-SFHVURJKSA-N	417.559	5.197	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	56866961	OWIDSDVHFGFLGC-LJQANCHMSA-N	419.500	5.259	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1OC(C)C	65473077	MARMKZQFGJLWFG-MRXNPFEDSA-N	411.502	5.024	30	20	HKED	
Cc1nccn1-c1ccc(CNc2c(C#N)cnc3c(F)ccc(Cl)c23)cc1F	195670010	NYDAARPFHIHYHW-UHFFFAOYSA-N	409.827	5.144	30	20	HKED	
Cc1sc2ncn(N=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)c2c1C	263632218	POBCCAWLTFEVFD-UHFFFAOYSA-N	410.930	5.018	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1	410175332	UZMYOVXIDGOFQP-UHFFFAOYSA-N	418.434	5.608	30	20	HKED	
CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(C#N)cc1Cl	430362465	TVXRMRSSYOUKTM-UHFFFAOYSA-N	412.877	5.090	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1ccccc1	431930166	DCNHDIHIWPBWEP-RTBURBONSA-N	402.325	5.715	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2cccc(Cl)c2)CC1	432097629	WQHLZMLMUBHJQN-INIZCTEOSA-N	411.958	5.913	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1OC	432184172	DLCCRVQKBOFZAW-HNNXBMFYSA-N	413.905	5.204	30	20	HKED	
CN(CC[C@@H]1CCCCN1C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437769781	DVQASTHIYODETQ-RBBKRZOGSA-N	424.976	5.334	30	20	HKED	
CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438636650	PRKZBBMJMHUWJV-UHFFFAOYSA-N	417.309	5.140	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1	438851789	ZIJNSJSJVDQQKL-HZPDHXFCSA-N	422.476	5.096	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc(F)c(Br)cc1Cl)c1ccccc1	439612084	HYJSCYVGTJSTIM-HNNXBMFYSA-N	410.674	5.408	30	20	HKED	
CCn1ncc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c(C)nc21	440413246	HOGCAJLYYNNCDI-HNNXBMFYSA-N	421.570	5.096	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)Cc1c(C)noc1C)c1ccc(C(F)(F)F)cc1	440841346	IEQIXEZZBLTKNZ-YJYMSZOUSA-N	409.452	5.248	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1nc(C2CCCC2)no1)c1ccc(C(F)(F)F)cc1	441566951	CVVGVYWPNWGUOW-SFHVURJKSA-N	421.463	5.502	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	443885005	YDQFCARZWYVIRF-UHFFFAOYSA-N	424.394	5.018	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	444903893	ZAKDCZZJPDFULB-YJBOKZPZSA-N	421.488	6.205	30	20	HKED	
CC(C)Cn1ccc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cccc21	447521485	NTELTFULSUQLRI-NRFANRHFSA-N	424.529	5.783	30	20	HKED	
Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1-c1ccccc1	460255468	VLEHDQARGNDESQ-UHFFFAOYSA-N	411.505	5.609	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1	461677781	VTARZHGQLRKEEQ-UHFFFAOYSA-N	414.509	5.223	30	20	HKED	
CN(Cc1cn(C)nc1C(F)F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	462910964	SNNRDGNDIXUZGE-CYBMUJFWSA-N	401.301	5.112	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(C#N)c1	463953837	XGEKSNXLBHCCRT-CYBMUJFWSA-N	403.429	5.325	30	20	HKED	
C=CCCCN(C)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466534924	UVWSIXSCQNINKJ-CQSZACIVSA-N	422.392	5.550	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1F	468648089	NKDJFLKICOELDL-VWNXMTODSA-N	410.464	5.008	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCCCC[C@@H]3/C=C/c3cccs3)on2)c1	468816066	COKZEKXQOKCJLS-GNISGLHKSA-N	403.507	5.373	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4c(F)cccc4F)o3)ccc21	469053065	VZCOOPLUZZFRMJ-UHFFFAOYSA-N	421.447	5.420	30	20	HKED	
C[C@@H](O)C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	469691303	DERLMKZJLOTEDN-WIYYLYMNSA-N	415.493	5.027	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N(CCC#N)Cc1ccccn1	473794780	NBPJYFFGYHARAT-UHFFFAOYSA-N	404.901	5.658	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1	475177524	YSUXNYCFCYBLQJ-INIZCTEOSA-N	408.546	5.161	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)c1oc2ccccc2c1CSc1ncccn1	475738081	GTNYKPBYTZJSTJ-UHFFFAOYSA-N	408.527	5.107	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1	476132851	DNKMWKODOPRCJZ-UHFFFAOYSA-N	409.486	5.161	30	20	HKED	
CC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1cc(F)cc(Br)c1	476814043	CAODATQTUAFHKK-KXBFYZLASA-N	403.295	5.243	30	20	HKED	
Cc1nc(CNC(=O)CCCCOc2cccc(C#N)c2)oc1-c1ccc(Cl)cc1	476929509	DYVAAESMWCLGLT-UHFFFAOYSA-N	423.900	5.041	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(OC)ccc1OC(F)F	480263463	YSBILMRKWORUSM-UHFFFAOYSA-N	402.850	5.232	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)cc1	480402530	GVWPGBSIKGOEIH-KRWDZBQOSA-N	401.466	5.584	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(N2CCCCC2=O)c1	480458587	DKNRRNKLMIACDT-UHFFFAOYSA-N	403.935	5.139	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1	480734665	PGWTUEUHIASAHT-UHFFFAOYSA-N	414.550	5.215	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C	481007778	HOFRWJMKCXQCJW-YPMHNXCESA-N	400.454	5.054	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(SCCC(=O)OC)c1	481029494	ZGYQUUBBXMPBBK-UHFFFAOYSA-N	424.975	5.277	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)Nc2nc(C)c(SCC#N)s2)s1	481900352	YTXOBGVMZVNUKY-UHFFFAOYSA-N	400.554	5.060	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1	482016838	UHUHSVMRYYISDY-UHFFFAOYSA-N	421.467	5.195	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1cc2c(cc1Br)OCCO2	487391148	FSDAHULLVCROFO-CYBMUJFWSA-N	419.344	5.084	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(OC(F)F)c2)cc1	487998928	ZEWPMJXALRAUAU-UHFFFAOYSA-N	410.395	5.141	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccnc(SCC(F)(F)F)c1	494730945	NIFDZIHWNIURIT-GFCCVEGCSA-N	411.474	5.240	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cc(Cl)cc(Cl)c1	499529281	MRXRCIZLZZAAKQ-UHFFFAOYSA-N	401.249	5.314	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CCC)c1ccc(F)cc1F	499751026	PKUZVLPWDLLXBD-OAQYLSRUSA-N	404.505	5.371	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)o2)cc1	504174148	JSJWGXBHKNPFIB-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1	504363831	XAITUOWXFXOLHD-UHFFFAOYSA-N	402.306	5.094	30	20	HKED	
CC[C@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	504423956	KJARPLWXEAISTN-QGZVFWFLSA-N	408.552	5.224	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(F)cc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449403	OGLFYVVGBFWRFP-AWEZNQCLSA-N	424.259	5.641	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C	506870100	CFOCGLVPYBOEAX-UHFFFAOYSA-N	419.485	5.259	30	20	HKED	
CCN(Cc1ccc(OC)c(OCc2cccnc2)c1)[C@H](C)c1ccc(C#N)cc1	508601767	AMVVVZVKAIFPHQ-LJQANCHMSA-N	401.510	5.124	30	20	HKED	
Cc1cc(C)n(CCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	510003768	BJEJDRJFVFYNIG-NRFANRHFSA-N	421.932	5.021	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc2ccccc2s1	513654997	OTYDQOOFYJMEMB-IBGZPJMESA-N	400.528	6.079	30	20	HKED	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SC[C@H](C#N)CCC#N)nnc1-c1cccs1	514613054	INKZDCMFQNJJFF-FPSMNIFISA-N	411.600	5.539	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2)cc1	519054229	HFCGHCKVIWVDDU-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
COc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1F	521090523	MGZDKRWIHVBNQL-INIZCTEOSA-N	404.441	5.184	30	20	HKED	
CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523419700	PORHMMKQRRZNQO-DVECYGJZSA-N	405.542	5.764	30	20	HKED	
CCSc1nnc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1	523880719	SSIJXEAXVXPDDN-UHFFFAOYSA-N	416.915	5.220	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	524622833	NFDKGQVIOOSXEE-PMACEKPBSA-N	422.598	5.209	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1	532502299	WPKKESJERPOTHO-UHFFFAOYSA-N	415.493	5.084	30	20	HKED	
N#CCCCOc1cccc(CNc2cccc(C[S@](=O)c3ccccc3)c2)c1	532743536	SBTDRHZZKWLDNV-LJAQVGFWSA-N	404.535	5.289	30	20	HKED	
COc1ccc(N(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1OC	534171428	KMZKWAIPOBBRHH-UHFFFAOYSA-N	422.868	5.298	30	20	HKED	
N#C[C@H](C(=O)c1ccc2ncccc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	536772670	PVHQVKCVIRNEJI-MRXNPFEDSA-N	424.312	6.155	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCCOc4cc(F)ccc43)c2)c1	540734687	SBYOMTSTNROWEU-XMMPIXPASA-N	402.469	5.280	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(COCc2ccco2)c1	540879147	ZOZNDVJUKDCZEX-UHFFFAOYSA-N	424.456	5.913	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1	543993693	YTULUEGEZZUCEX-IVZQSRNASA-N	413.974	5.414	30	20	HKED	
N#Cc1ccccc1OCc1ccc(-c2nc(C(F)(F)c3ccc(F)cc3)no2)o1	544504509	BLKQFPCPFVPNCW-UHFFFAOYSA-N	411.339	5.059	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)cc1Cl	550222484	MGVIZVHZRBLZNX-VXKWHMMOSA-N	414.892	5.694	30	20	HKED	
C=CCC(C)(C)c1noc(CSc2nnc(-c3ccco3)n2-c2ccccc2)n1	551145256	YKNIDAIZIXYYJH-UHFFFAOYSA-N	407.499	5.056	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)ccc1OC1CCCC1	552618590	GGPOHZUVEVPWOC-QGZVFWFLSA-N	419.308	5.318	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Cl)c1OC(C)C	554474369	XLPAOGUGUYWEKH-UHFFFAOYSA-N	404.942	5.515	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	557999931	MJKMACMZZBKWII-UHFFFAOYSA-N	410.514	5.924	30	20	HKED	
CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)cc1	558055695	WVNXPFPQBQMHEW-KBPBESRZSA-N	421.488	5.201	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	558755937	UVMSWDGPCCPTLL-MRXNPFEDSA-N	402.519	5.868	30	20	HKED	
N#CCCC[C@@H](NCc1cc(Br)cc(C(F)(F)F)c1)c1ccccc1	573907285	FHOWAEXVRJLMQV-GOSISDBHSA-N	411.265	5.993	30	20	HKED	
CC[C@H](c1ccc(Br)cc1)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1	580859585	VAIBKADSVCGIPB-PKOBYXMFSA-N	421.298	5.096	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(CSc2ccccn2)c1	591508731	JSNJDGTUMZTPQR-UHFFFAOYSA-N	403.551	5.637	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1	594690042	PQJBLUBTTBNOBR-KRWDZBQOSA-N	408.567	5.855	30	20	HKED	
N#Cc1c(NC(=O)c2sc3cc(F)ccc3c2Cl)sc2c1CCCCC2	602782856	BDVGLFXCYCTGAA-UHFFFAOYSA-N	404.919	6.148	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603691079	YQANAZSWXCHCCA-UHFFFAOYSA-N	422.872	5.071	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc1OCCCC#N	604512439	PBBNWNKKQUNGIA-QGZVFWFLSA-N	421.566	5.661	30	20	HKED	
CCOc1ccc([C@H](NC(=O)c2cc3ccccc3n2CC#N)C(C)C)cc1OCC	609161089	HZNBGTPCDFKSFG-XMMPIXPASA-N	419.525	5.089	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1	609371773	WYHFIFPVNRHHGV-OAHLLOKOSA-N	408.552	5.202	30	20	HKED	
CC(C)c1ccc(-c2nnc(SCc3nnc(-c4cccc(C#N)c4)o3)o2)cc1	610218198	AXIMSDHKZQJKFC-UHFFFAOYSA-N	403.467	5.074	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1F	610228221	XGIPWJSOTUCYOP-HNNXBMFYSA-N	423.517	5.176	30	20	HKED	
C[C@@H](NC(=O)CCCSc1ccc(Br)cc1)c1cccc(C#N)c1	610362879	BJODNVZHSOJFIE-CQSZACIVSA-N	403.345	5.070	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1-c1ccccc1	610540317	STVMADDGWCVNKG-UHFFFAOYSA-N	422.444	5.074	30	20	HKED	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610717734	MZRMRMIPMLFLES-CQSZACIVSA-N	420.419	5.175	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(F)cc1	612607069	WYQTYOLBMIFEHU-GOSISDBHSA-N	415.346	5.026	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1	618815799	RCHQUPLTNLNDSD-XDHUDOTRSA-N	411.505	5.282	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4c(F)cccc4c3C)n2)cc1	619756464	SZXCXVSCYBLKJC-MRXNPFEDSA-N	406.438	5.503	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(C#N)c(Cl)c3)cc2)c1	619788311	LTDBNWXUXPYMBG-UHFFFAOYSA-N	402.841	5.197	30	20	HKED	
C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(OCC)CC1	669811221	KKFHVSMPDRGEBP-UHFFFAOYSA-N	402.951	5.005	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc2cc(F)ccc2s1	677564536	RXAQIYFKOSOUKK-GOSISDBHSA-N	424.460	5.536	30	20	HKED	
COc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CCC2)cc1	726321453	HPNXTQJMMLCXJR-FQEVSTJZSA-N	402.519	5.425	30	20	HKED	
CC(C)(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1	726732978	NTTNLPZJPYHQRE-INIZCTEOSA-N	419.506	5.194	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)cc1	727589238	PBPRZUNBVHWCKL-OAQYLSRUSA-N	412.493	5.547	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1Cl	727631375	FBQZSDDJPJZMGI-BRADTZPFSA-N	414.864	6.021	30	20	HKED	
CCn1c(C)cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1C	728312011	HZGKQUYMSBBNFE-CAOOACKPSA-N	401.944	5.056	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2ccccc2c1	731059680	JCIKXCZPZJFDJB-MRXNPFEDSA-N	404.491	5.030	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Oc3ccc(Oc4ccccn4)cc3)cc2)nc1	731966048	HJNLMHQZJLFGSJ-UHFFFAOYSA-N	409.401	5.152	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccc(C)cc3C)nc2C)c1	733770391	HUCBHHAERLCXKC-LJQANCHMSA-N	419.550	5.346	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccccc2s1	734325156	GPUHCKHQURUHEA-INIZCTEOSA-N	413.502	5.238	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1nc2cc(C(F)(F)F)ccc2s1	734965487	LIRJSDFVJZQOPP-QJPTWQEYSA-N	422.378	5.573	30	20	HKED	
O=C(/C=C/c1nccc2ccccc12)c1ccc(Br)cc1Br	740763361	AGJXGMGKKKODRV-BQYQJAHWSA-N	417.100	5.656	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2cccc(C)c2C)c1=S	742153207	QDVJCAJZDLOXEB-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
CC(=NOCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2ccc(F)cc2)s1	742355188	ZJUDDHBLERCCOW-UHFFFAOYSA-N	418.453	5.417	30	20	HKED	
CCn1nc(C)c(/C=C/C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)c1C	743055905	MTRTUZNKGRPLIO-VQHVLOKHSA-N	403.313	5.217	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	743226982	BYXSDTBPMWDRNJ-IBGZPJMESA-N	423.557	5.535	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)ccc1OC	743409686	OLQXCZQOFCJAMB-ICSRJNTNSA-N	423.557	5.071	30	20	HKED	
Cc1noc(-c2ccccc2C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)n1	745258234	GIPABQUYYQLUJL-UHFFFAOYSA-N	423.472	5.102	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2Cc2ccc(OCC#N)cc2)nc1-c1ccccc1	746462327	GPLTUZNYPTUAGW-JOCHJYFZSA-N	401.510	5.704	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)cc2)c1	747108405	OQYJIKHSODLPQN-IBGZPJMESA-N	404.853	5.402	30	20	HKED	
Cc1cc2occ(CC(=O)NC3CCN(c4ccccc4C#N)CC3)c2cc1C(C)C	747337143	XXSOUNKETRKQDR-UHFFFAOYSA-N	415.537	5.064	30	20	HKED	
CC(C)n1ncc2c(C(=O)O[C@@H](C)c3ccc(C#N)cc3)cc(-c3ccco3)nc21	748677227	MAFNVRDAAYQWRU-HNNXBMFYSA-N	400.438	5.062	30	20	HKED	
CN(C(=O)C(F)(F)c1nccs1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	756747123	JVOBDAGIGJLSNH-JTQLQIEISA-N	418.309	5.016	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2C)cs1	756788051	RGDJSFCACBYMIY-FMIVXFBMSA-N	421.478	5.249	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2ccc(Br)cc2)ccc1OC	760477259	FCTLUDMUFBVDGU-OALUTQOASA-N	417.347	5.380	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3OCC#N)c3ccccc3n2)o1	760786393	PMNPGXYKGRQZTE-UHFFFAOYSA-N	401.397	5.097	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1	760799897	BIDBCOJMIFPQPT-UHFFFAOYSA-N	424.859	5.142	30	20	HKED	
C[C@@H](c1ccccn1)N(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(N(C)C)cc1	766581959	BBSSVWNUQAXINN-IBGZPJMESA-N	410.521	5.111	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	768631428	MAAWCQKTHWECFV-UHFFFAOYSA-N	418.493	5.491	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1	772032994	NBXCQVCNNFZOSK-GOTSBHOMSA-N	412.961	5.503	30	20	HKED	
CCN(C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)c1ccc(C#N)c(Cl)c1	774149645	NHILVEIGLNCPKK-UHFFFAOYSA-N	413.905	5.534	30	20	HKED	
COc1cc(C(=O)/C=C/c2c(C3CC3)nc3sccn23)ccc1SC(F)F	774554878	DXKMGAGCJKQQAG-AATRIKPKSA-N	406.479	5.493	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](c1ccccc1OC(F)F)C(F)(F)F	778994119	HGYKLTXAMGDXAD-MRXNPFEDSA-N	420.765	5.237	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	780158975	MPPISOPWZSARHS-KRWDZBQOSA-N	409.445	5.552	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1	780162773	KMRYUGSXTGAIMP-AWEZNQCLSA-N	411.483	5.173	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1	780979482	DLDMMIQWSHBTQV-HXUWFJFHSA-N	402.539	5.004	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1cccc(C#N)c1F	782425925	HUBQFIWINUIACE-UHFFFAOYSA-N	404.319	5.037	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N(c2ccccc2)c2ccccc2)ccc1OC	782444915	QEKITPWSLWDLRC-QFIPXVFZSA-N	415.493	5.424	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCCCC(C)(C)C#N	783175672	OJIOHOJTMROSRV-CQSZACIVSA-N	406.935	5.490	30	20	HKED	
CCc1cnc(/C=C2/CC3(CCOCC3)C/C(=C/c3ncc(CC)s3)C2=O)s1	783711240	WAVXVDPEIDPZCE-VULZFCBJSA-N	414.596	5.351	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)c1ccc(F)c(C#N)c1	792320063	CDKIJMGUQKUPQR-UHFFFAOYSA-N	416.880	5.051	30	20	HKED	
CN(Cc1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)OC(C)(C)C	793246890	LSSFURGHLOXTFR-LJQANCHMSA-N	407.514	5.080	30	20	HKED	
C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1	795993584	VJLJKUKLOQZTTM-KNQAVFIVSA-N	412.489	5.311	30	20	HKED	
C=CC[C@H](N[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1	796308541	QMXBWYVASAIQFW-DYVFJYSZSA-N	411.855	5.378	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2csc(COc3ccc(F)cc3)n2)s1	797570552	HMSDJVWNGGKSLR-CQSZACIVSA-N	415.515	5.105	30	20	HKED	
Cc1ccc(-c2cc(C(=O)OCCCC3(C#N)CCOCC3)c3ccccc3n2)o1	800082164	RZVQGRGKZFODIB-UHFFFAOYSA-N	404.466	5.061	30	20	HKED	
CC(C)c1ccc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1	805856604	YZJNANRNDOATGE-OAHLLOKOSA-N	415.276	5.824	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C1/C[C@H](C(=O)O)c2ccccc2C1=O	806561721	YXHLWZQQUUZEFO-AAKHDSTQSA-N	420.896	5.040	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21	807153888	DLHWCPQOSZENPM-LJQANCHMSA-N	414.550	5.040	30	20	HKED	
C=CCC[C@H](C(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1)c1ccccc1	812662623	KJIXKCHBAMWZBV-LOSJGSFVSA-N	407.554	5.107	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3c(Cl)cccc3Cl)n2)cc1	916650503	UEKKUZCPEWTDKT-AWEZNQCLSA-N	417.317	5.681	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	916844018	QYKXLHWRYYTPPV-XQJDBVBESA-N	404.335	5.379	30	20	HKED	
N#C[C@@H](C(=O)/C=C\Sc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	916904329	AINXMJJMENGRCF-IBIZNAIESA-N	414.486	5.432	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl	916933857	JUVAEQJEVZFHQC-JTQLQIEISA-N	419.289	5.178	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	920101555	DRNKILKLLPMSDF-AWEZNQCLSA-N	405.504	5.175	30	20	HKED	
O=C(/C(=C\c1cn2cc(Cl)ccc2n1)c1nc2ccccc2s1)c1ccccc1	920756059	WMSZOKIQBJGNHN-LDADJPATSA-N	415.905	6.021	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccc2c(c1)CCCC2)C(C)C	1538766931	WSYYBKKZWIQQLP-XMMPIXPASA-N	406.526	5.028	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4s3)CCC2)cc1	1791247829	JCLYZPGVURQBAH-INIZCTEOSA-N	419.550	5.256	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC)cc2)[nH]n1	1819307770	NFYJPWMQUMOOIW-RBBKRZOGSA-N	420.557	5.046	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1829066637	OLBNVTHLUWIMJP-OAQYLSRUSA-N	420.613	5.271	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cccc(C)c2C)cc1	10168308	DQKWHMHVOLAWLS-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2cccc(O)c2)c(C)c1	10169021	KEENUDWRYWLVIA-UHFFFAOYSA-O	411.572	5.026	30	20	HKED	
C=CCN(C(=O)c1sc(-c2ccc(F)cc2)nc1C)c1nc2c(s1)CCCC2	17365513	MLCUVVICGAPJEL-UHFFFAOYSA-N	413.543	5.426	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1	24701808	VRINHPFSXYBOCF-OAQYLSRUSA-N	411.534	5.173	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCc3nc4ccccc4s3)c2)c1	32291768	WTFYFLYJRDTFEV-UHFFFAOYSA-N	413.502	5.318	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)n1	61165769	BGNLENOSQQDPQB-UHFFFAOYSA-N	412.518	5.401	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCc1cccs1	62903806	OWWXZUKLYDSWSC-UHFFFAOYSA-N	404.560	5.740	30	20	HKED	
N#Cc1c(NC(=O)CCCOc2ccccc2F)sc2c1-c1ccccc1CC2	65503936	MTJZOUCLSOLRDY-UHFFFAOYSA-N	406.482	5.322	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	78419665	LEUYTCYEIMVJNQ-UHFFFAOYSA-N	409.477	5.160	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2c(C(C)C)noc2n1	195690078	LTTCQXUMRKYJJF-ZDUSSCGKSA-N	410.886	5.408	30	20	HKED	
CCc1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	303208868	QFBVXJQMDRGZMY-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cccc2ncccc12	303344967	ZPLGYYKDIDCRQP-QGZVFWFLSA-N	408.461	5.338	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1	303603912	ATMPNQZENJRMSO-VQTJNVASSA-N	418.443	5.352	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303682113	MTEDUBTUHADXLW-UHFFFAOYSA-N	411.342	5.511	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	303698673	ASCSHQCVGYQKKH-AWEZNQCLSA-N	413.361	5.071	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1Cl)c1ccccc1	427923325	FNXJCHICUDNBMN-ZDUSSCGKSA-N	411.292	5.685	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	432261499	DAEDAFBVMGXUDT-UHFFFAOYSA-N	406.526	5.259	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Br	439020208	MXHJYIJHTCJUFO-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(F)cc1Br	440778093	AAKFOCJKSSRVAN-JTQLQIEISA-N	411.271	5.231	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCCO)[C@H]1CCCc2ccccc21	443901852	ALPJQALLRJFCPL-GCJKJVERSA-N	423.582	5.375	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(Cl)c1	444906692	NKEYRHYXWYLYBM-JXFKEZNVSA-N	413.974	6.493	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C(F)F)cc1	460779093	SSDGTJUDUFJEFW-CQSZACIVSA-N	406.523	5.748	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	464229200	GRKDVZGFAJXDOZ-INIZCTEOSA-N	402.498	5.102	30	20	HKED	
Cc1cccc(C)c1OCc1nnc(SCCCSCC#N)n1-c1ccccc1	466622275	XWABSMSSGWBGMN-UHFFFAOYSA-N	424.595	5.202	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1	467088630	CLLCMVZZRWQNSB-SFHVURJKSA-N	402.267	5.023	30	20	HKED	
C=CCC(CC=C)C(=O)N(CC)[C@H](c1ccc(Br)cc1)c1cccnc1	467538448	VMCQMCDSEGEAKK-OAQYLSRUSA-N	413.359	5.550	30	20	HKED	
COc1ccc([C@H](NCc2ccc(F)c(C#N)c2)c2ccccc2Cl)c(OC)c1	467775290	MURPOWMRDRDBEK-HSZRJFAPSA-N	410.876	5.247	30	20	HKED	
O=C([C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N(CCC(F)(F)F)CC(F)(F)F	468531603	WWIMZWOKAXBPOO-NEPJUHHUSA-N	407.276	5.152	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N(CCC#N)c1cccc(Cl)c1	470535791	AONZGRMRGHYHFA-MRXNPFEDSA-N	412.946	5.093	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)Nc2cccc(OCCCC#N)c2)c1	471342697	QKVQBDBNYNDQNA-UHFFFAOYSA-N	417.303	5.171	30	20	HKED	
N#Cc1ccc(NCc2nnc(-c3ccccc3Br)o2)cc1C(F)(F)F	471681879	BIBOXBYHUXAJKA-UHFFFAOYSA-N	423.192	5.002	30	20	HKED	
Cc1cc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(C(F)(F)F)o1	472032839	UZZBHMXUPSISHH-LLVKDONJSA-N	419.243	5.659	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cc2cccc(F)c2o1	475085337	BAVITTYVMAYLIE-CQSZACIVSA-N	404.397	5.107	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H]1c1ccncc1	476211354	ODDFJTLJHNWAEF-QFIPXVFZSA-N	401.441	5.108	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1	478025673	VIGWTDSLLFXSDY-GOSISDBHSA-N	405.445	5.208	30	20	HKED	
CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(C#Cc3ccccn3)c1)CCC2	478774187	RSZKWVZKORALEN-NRFANRHFSA-N	416.550	5.042	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1	479923755	BBNQBMGGCDWAIM-UHFFFAOYSA-N	415.902	5.467	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Br)c(C)cc1C	481724189	LXUVMAMUYVQPRN-UHFFFAOYSA-N	419.367	5.454	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1cnc2ccccc2n1	483192048	FZPIFOALHUBNGX-KRWDZBQOSA-N	406.470	5.397	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)c3nccc4ccccc34)coc12	483201796	OYNUOBQZMKBVIF-KRWDZBQOSA-N	405.251	5.542	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COC(F)(F)F)cc3)n2)cc1	483456597	SJRMDDQLFHKMDC-QGZVFWFLSA-N	416.424	5.645	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)c(Sc2ccccc2)n1	487475831	WLZBVMIPMJTFCR-UHFFFAOYSA-N	403.507	5.476	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2o1	487729051	LJRXLEHNUBUCOI-LBPRGKRZSA-N	417.943	5.464	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC3(CCOCC3)C2)cc1Cl	488388353	RVILKYHMOJJTJE-NRFANRHFSA-N	423.944	5.420	30	20	HKED	
C=CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1cccs1	489454534	ZSXPPQULLOXIHA-UHFFFAOYSA-N	415.569	5.029	30	20	HKED	
C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	491273669	YQVXMEFTWYFPAS-UHFFFAOYSA-N	415.946	5.305	30	20	HKED	
C[C@H]1CC[C@@H](C)N1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496344910	LGRGZSBGVHVPHO-TXEJJXNPSA-N	408.449	5.029	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](c1ccccc1)n1cccn1	496608390	CCZUWOZQSPMWEA-XMMPIXPASA-N	408.461	5.084	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1ncc(C(C)(C)C)o1)c1ccc(C(F)(F)F)cc1	498276444	OORSMYMSSRTJRZ-MRXNPFEDSA-N	409.452	5.498	30	20	HKED	
C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	499241428	HEEIGLFHKBLGHD-AWEZNQCLSA-N	412.331	5.229	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCc3ccccc3C2)cc1	499587358	DUDGUKAJJCPONN-UHFFFAOYSA-N	411.505	5.312	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	500752475	GGMQJWRALAOUAI-DLBZAZTESA-N	402.416	5.966	30	20	HKED	
Cc1cccc(OC[C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	500912569	GKFSEORWCWCRTP-GOSISDBHSA-N	402.519	5.215	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(OCc2ccccn2)cc1	502323613	XKKJEDKFVOUIHX-UHFFFAOYSA-N	412.942	5.133	30	20	HKED	
CN(Cc1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)C1CCCCC1	502681144	QSEBZSUHASAPCJ-UHFFFAOYSA-N	420.557	5.778	30	20	HKED	
CC[C@](C)(C#N)C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	505187130	GMGVDWZBPDXELF-XMMPIXPASA-N	420.944	5.150	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cc(Cl)ccc3Cl)n2)cc1	505434559	YJTDHNDMHYPCSN-CQSZACIVSA-N	418.305	5.371	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccccc3C(F)(F)F)n2)cc1	505469023	YSKQUSXDPFDHIM-AWEZNQCLSA-N	401.413	5.383	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)cc1	505584762	IZTWSVDVGHHKTJ-UHFFFAOYSA-N	401.279	5.060	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1	508264365	HBLKQZTZTVTRFN-OAQYLSRUSA-N	414.465	5.123	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cc(C)oc2C)cc1	508273644	BAWFFTZWXUVRQA-HNNXBMFYSA-N	405.454	5.452	30	20	HKED	
O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509293629	JZTWRZKGVJCFAZ-OAHLLOKOSA-N	409.301	5.077	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(COc2cccc(F)c2)c1	510864071	FAFUHUWEDJUWNO-QGZVFWFLSA-N	420.509	5.909	30	20	HKED	
CCNC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1	511064462	QAAMSJVKPOWFRI-UHFFFAOYSA-N	415.518	5.020	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1	513166187	KKOKNKAHAFITFX-UHFFFAOYSA-N	411.486	5.877	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)s1	513256483	SIUIRDMRLDRNLX-MRXNPFEDSA-N	405.523	5.044	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)no1	516601426	AGLAZUDFQHFNPP-SJLPKXTDSA-N	418.419	5.007	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2cc(Br)ccc2o1	518739111	OENDXRYGZZMUSP-GFCCVEGCSA-N	415.312	5.842	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1	518811379	QLNWFKIBTXLYRD-KRWDZBQOSA-N	401.466	5.590	30	20	HKED	
COc1cc(F)cc2sc(NC(=O)c3ccccc3-c3ccccc3C#N)nc12	519052205	LXOHNYIACVOUML-UHFFFAOYSA-N	403.438	5.235	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccccc1S[C@H](C)CC#N	520633104	ALEVFKFMYJKCBI-UEXGIBASSA-N	423.582	6.095	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	520714314	NEWAEBIBYBYEJH-DNQXCXABSA-N	414.480	5.351	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccc(CC#N)cc1	521657285	BBJQAVZPWAKIQE-AWEZNQCLSA-N	410.930	5.721	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCSc2cccc(Cl)c2)c1C	521937899	BKBPJWYTYZYZRX-UHFFFAOYSA-N	410.930	5.135	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c1C	523536846	QQLRNYIBUFZJBQ-WOJBJXKFSA-N	424.426	5.122	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	524438041	LFEJCUSGEIOCEK-GOSISDBHSA-N	415.493	5.337	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc([C@H]2C[C@H]2C)o1	524438702	RRQIRQCCZQYJPU-ZHRRBRCNSA-N	415.493	5.484	30	20	HKED	
COc1cc(CN2CCC[C@H]2c2cccc(C)n2)ccc1OCc1cccc(C#N)c1	533024501	MABUGURPIZRCHZ-DEOSSOPVSA-N	413.521	5.186	30	20	HKED	
Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)c1C#N	537828216	RKHNFWLMKRXSRK-AWEZNQCLSA-N	423.925	5.065	30	20	HKED	
N#Cc1csc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1	541834650	OSVKHUYMKDKZAV-UHFFFAOYSA-N	404.442	5.170	30	20	HKED	
CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1)C(C)C	558184304	XHKSXTGMERIMJY-SFHVURJKSA-N	411.958	5.670	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)c2ccccc12	558654491	FYUAMSNWILRPPO-QGZVFWFLSA-N	418.928	5.216	30	20	HKED	
Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	559882086	LVRWJCMCOJUQMW-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)C2CC2)cc1	568968526	HLHUXYNASGBLPR-QFIPXVFZSA-N	421.953	5.737	30	20	HKED	
COc1ccc2nc(-c3noc(-c4cn(CCCC#N)c5ccccc45)n3)ccc2c1	570756625	CTDDFUDYKZVIFC-UHFFFAOYSA-N	409.449	5.219	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nccn1-c1ccccc1	583522380	DTIDIUNMHSSSMQ-HXUWFJFHSA-N	408.505	5.174	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCC1CC1)c1nc(-c2ccc(Cl)cc2)cs1	587988814	SAJUOLHCOCWVNW-SFHVURJKSA-N	408.910	5.742	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N[C@H]1CCc2cc(C#N)ccc21	589368588	YQSPRQNASWRWDX-INIZCTEOSA-N	416.344	5.242	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c1	589740909	JOTHRBDTDWIOBM-AWEZNQCLSA-N	400.429	5.269	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cs1	589830433	JWHMDOAULUXSIH-KRWDZBQOSA-N	401.516	5.732	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1	596141648	LEFNVLXSDBXWJT-IBGZPJMESA-N	408.567	5.998	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)COc1ccc(-c2nc3ccccc3s2)cc1Cl	603897620	RKWASYGMWDRFNH-AWEZNQCLSA-N	413.930	5.004	30	20	HKED	
CCc1ccc(OCc2nnc(S[C@H](C#N)Cc3ccccc3)n2CC(C)C)cc1	603997393	ZCTXFSWPMCXZRR-QFIPXVFZSA-N	420.582	5.302	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c2ccccc2n1	604387934	YDBHLSLDRMPKLQ-UHFFFAOYSA-N	409.464	5.397	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	608862907	MXTSKRPCXLFBFA-SFHVURJKSA-N	403.404	5.345	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1c[nH]c2ccccc12	609062463	NOXVDUHVQRUKBQ-UHFFFAOYSA-N	423.516	5.888	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1	609369717	IMPNVFHUUBBBOY-CYBMUJFWSA-N	410.486	5.830	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1SCCC#N	609378848	WZXADLUITFUHKN-UHFFFAOYSA-N	421.385	5.494	30	20	HKED	
N#C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1Br	609591940	ZMPLWYYUTFZQCR-IBGZPJMESA-N	419.278	5.272	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	610275643	CEMUJZAXCLKOAB-PHIMTYICSA-N	407.745	5.327	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(C3CCCCC3)C3CC3)c2)c1	610723802	XUGWZDKAMGRYFB-UHFFFAOYSA-N	402.498	5.140	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c2ccccc21	618327852	UAUJEZRQWKGERS-UHFFFAOYSA-N	421.369	5.851	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2c(F)cccc12	620304098	AVTZCLJYODQKGV-GFCCVEGCSA-N	412.392	5.772	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cncc(C(F)(F)F)c1	622484957	AGADBGPOGHHQBL-LBPRGKRZSA-N	416.243	5.153	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1	623022442	NZGVTLBQVLHGQI-QWRGUYRKSA-N	416.337	5.208	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](OC(F)F)C1)c1ccc(C(F)(F)F)cc1	679705676	GSKYONFLJGUMDX-JKSUJKDBSA-N	406.395	5.126	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc(Cc2csc(-c3ccccc3)n2)no1	685218699	AVKDBHAVMYGZOX-UHFFFAOYSA-N	405.479	5.024	30	20	HKED	
Cc1ccc(Sc2ccc(C=Nn3cnnc3-c3ccccc3)cc2[N+](=O)[O-])cc1	725856814	ZASMWGSTDPBQPZ-UHFFFAOYSA-N	415.478	5.195	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(Oc3cc(F)cc(F)c3)cc2)cc1NC(C)=O	726427725	UVSNISNDILILCE-WEVVVXLNSA-N	423.415	5.620	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	727627173	BGTYWSOLDHPGBA-GOSISDBHSA-N	411.452	5.419	30	20	HKED	
CC[C@@H](C)n1c(SCC(=O)O[C@H](C)c2cccc(C#N)c2)nnc1-c1ccccc1	727636824	ZFQHINQKHDWLDM-IAGOWNOFSA-N	420.538	5.184	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	731986804	REDARJSAHOAGFK-UHFFFAOYSA-N	403.507	5.888	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2cccc(Cl)c2Cl)c1	733806124	HHARNHLAKTXVEZ-INIZCTEOSA-N	406.313	5.016	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1	734644539	QXWQZTLKABDOLR-ZCYQVOJMSA-N	410.521	5.133	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	737555809	ZQSBEBUJKKOANH-HNNXBMFYSA-N	405.564	5.103	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccnc4ccccc34)n2)cc1	741112937	ISMLTRLCTKZSFA-OJLWIZQOSA-N	411.486	5.257	30	20	HKED	
N#CC1(c2ccccc2)CCC(=NNc2c(F)cc(F)cc2Br)CC1	741771081	GZTNXYNWNWTTBU-UHFFFAOYSA-N	404.258	5.531	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(-n2cccn2)c1	745934705	ZTSHIQNMHUCNPR-UQBPGWFLSA-N	421.504	5.410	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1	747193803	PMWWJSDGJVTFIJ-OAQYLSRUSA-N	404.535	5.573	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	751143178	ULEXBQWIONIYTI-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
CC(C)(C)Oc1cccc(CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)n1	758508968	AXLCFDIBALRHBD-HNNXBMFYSA-N	413.930	5.331	30	20	HKED	
N#Cc1ccc(CCC(=O)O[C@H](c2cccnc2)c2cccc(C(F)(F)F)c2)cc1	759596779	LKZQZSPZKDWQOD-QFIPXVFZSA-N	410.395	5.237	30	20	HKED	
CC(C)(C)CN(CCC#N)Cn1nc(-c2ccncc2)n(C2CCCCC2)c1=S	764974752	HASQLUKKMRASCN-UHFFFAOYSA-N	412.607	5.201	30	20	HKED	
C[C@@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	765137155	BDCBCBUMVURPDI-LADGPHEKSA-N	419.912	5.025	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2[nH]ccc2c1)C(=O)Nc1ccccc1Oc1ccccc1	765916960	WFYLXKLFXAGCIC-KONDSOJQSA-N	421.456	5.321	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2nc3c(s2)CCCC3)cc1	766266328	KTKKNMPIUCWSFX-HXUWFJFHSA-N	416.550	5.042	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1	775692124	YJWNXDQSEJVOQA-UHFFFAOYSA-N	418.906	5.062	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2nc3ccccc3cc2C)cs1	776786081	PCSHWIJHLHHISO-UHFFFAOYSA-N	401.495	5.130	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	777302389	MVDDDDHNMHBXQF-QRWLVFNGSA-N	424.928	5.021	30	20	HKED	
CCc1cccnc1C(C)=NNc1ncnc2scc(-c3ccc(OC)cc3)c12	779761040	GRIBTMOZJWTTDW-UHFFFAOYSA-N	403.511	5.160	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)CCCSc1ccc(Br)cc1	780158427	MDNSENJWSANQTQ-AWEZNQCLSA-N	419.344	5.251	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)Nc2ccccc2O[C@H](C)C#N)n1	780159233	IDKMNPUYAGRELC-OAHLLOKOSA-N	409.536	5.287	30	20	HKED	
Cc1ccc(C(C)C)c(Oc2ccc(CNCc3ccc(C#N)cn3)cc2[N+](=O)[O-])c1	780554982	CIFIUQMZQSPULL-UHFFFAOYSA-N	416.481	5.375	30	20	HKED	
CO[C@H](C)c1nc(COC(=O)c2ccccc2Sc2ccccc2C#N)cs1	781971169	WWDQQPYDQDWOPZ-CQSZACIVSA-N	410.520	5.230	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2cc(C)sc2C)cc1	783355421	LYPKUUQLZSRVFK-JLTOFOAXSA-N	410.539	5.189	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1	789450804	RBDNNYUKVZVGGZ-XMMPIXPASA-N	415.578	5.353	30	20	HKED	
C=CCC1(C(=O)OCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CCC1	791559577	YTCCCIACMVRKOC-UHFFFAOYSA-N	404.919	5.271	30	20	HKED	
COc1ccc(-c2nc(/C=C/C(=O)c3nc(Br)ccc3F)cs2)cc1	794973698	XTTXGHGQNLRNTA-XBXARRHUSA-N	419.275	5.011	30	20	HKED	
Cc1cc(CCC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccc1Br	797566377	IIQXGVZHNLVSFS-CQSZACIVSA-N	405.361	5.321	30	20	HKED	
COc1ccccc1CON=Cc1csc(-c2cccc(Br)c2)n1	799117509	MPLBFIRGIMONHE-UHFFFAOYSA-N	403.301	5.132	30	20	HKED	
C/C(=C\c1ccccc1C(F)(F)F)COC(=O)CCc1c(C)nn(CCC#N)c1C	800457273	HLWIHTOPHDAJIH-FYWRMAATSA-N	419.447	5.012	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2cc(F)ccc12	805865041	UPPYQSBPWBZHHE-QGZVFWFLSA-N	417.490	5.834	30	20	HKED	
C=CCOc1ccc(CNCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1	820803222	VREZUBRIYBIEIN-UHFFFAOYSA-N	408.542	5.229	30	20	HKED	
Oc1nc2ccccc2cc1/C=N\C[C@H](c1ccccc1)N1CCc2sccc2C1	915980197	YQNJDHFZPVDXOY-GGIMQYPNSA-N	413.546	5.220	30	20	HKED	
CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1cc(Br)ccc1O	916286568	KTHLLCCQLQPLJB-UHFFFAOYSA-N	408.605	5.058	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1	916951265	XZNFHWXRDXQOOE-APWZRJJASA-N	408.546	5.236	30	20	HKED	
O=C(Nc1ccc(SC(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	919652787	IFVHZZVQPPUUJA-DTORHVGOSA-N	422.341	5.596	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(C(F)(F)F)cc3)cs2)cc1	920067835	DJBFMTDXJQUJLD-WDZFZDKYSA-N	419.424	5.646	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3coc4cc(C)ccc34)n2)cc1	920141826	IDCXAERQJGZPKX-IBGZPJMESA-N	402.475	5.292	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccc(OCC(F)(F)F)cc1	920481344	ZQVOPOYFWADEEJ-KMKOMSMNSA-N	413.395	5.498	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCCC(F)(F)F)CCC2)cc1	1791726423	UGYSHYDKGUPAGL-UHFFFAOYSA-N	408.464	5.047	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC)cc2)[nH]n1	1819307772	NFYJPWMQUMOOIW-UNMCSNQZSA-N	420.557	5.046	30	20	HKED	
Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C#N)cc3)[C@H]2c2cccs2)cc1	14908401	DTFWMCFBBTYJTL-REWPJTCUSA-N	415.518	5.051	30	20	HKED	
COc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	61241108	FTNXHCOEKAKTBT-INIZCTEOSA-N	420.509	5.489	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2occc2COc2ccccc2)cc1	65680268	PQHGCSHKRRZYCP-UHFFFAOYSA-N	410.429	5.775	30	20	HKED	
CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1	100168683	VZJDFCDJKVCTJK-UHFFFAOYSA-N	402.560	5.403	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	236666065	ZENGSSMQOIXMBP-UHFFFAOYSA-N	408.483	5.243	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(C(C)(C)C)cs1	237456318	IKBXSMLAHOGSLN-QGZVFWFLSA-N	405.567	5.742	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1Cl)c1ccccc1	303480580	KGEVPIMZYBXOAJ-KRWDZBQOSA-N	419.912	5.597	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)CC(C)C)c(F)c1	303912116	MZPRBCHVZOKETD-UHFFFAOYSA-N	408.926	5.354	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428655989	OGOIZOQFVMNFEX-ZWKOTPCHSA-N	420.944	5.381	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430597707	MPKDHUDURSZXGG-GFCCVEGCSA-N	417.506	5.641	30	20	HKED	
COc1ccc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2c1	431943383	SPOFBNJTHVUFKG-UHFFFAOYSA-N	409.445	5.468	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433614676	AEVRAFOMHMYWCA-MGPLVRAMSA-N	422.344	5.692	30	20	HKED	
CC(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	435744445	XMJFDPHHUNSTIE-OAHLLOKOSA-N	416.333	6.125	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)ccc2C)c1	438683581	IGUVWWIMTOFYRD-UHFFFAOYSA-N	414.509	5.805	30	20	HKED	
C[C@@H](N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N)C(C)(C)C	441392911	KOUHNDAJSHMGOY-GOSISDBHSA-N	423.582	5.094	30	20	HKED	
Cc1cccc(-c2nnc(S[C@H](C)c3cccc(C#N)c3)n2Cc2ccco2)c1	442898956	MGFAJPWMKOPQDC-QGZVFWFLSA-N	400.507	5.620	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c2ccccc21	444030407	KWDUHYMYEINIFI-UHFFFAOYSA-N	403.501	5.179	30	20	HKED	
CCCn1c(C)cc(-c2csc(NC(=O)c3c(F)cc(C#N)cc3F)n2)c1C	445675575	YNOFBMSTBWXVGZ-UHFFFAOYSA-N	400.454	5.041	30	20	HKED	
N#C[C@@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1cccc(C(F)(F)F)c1	446012577	RHMATDYAODGWJX-MRXNPFEDSA-N	412.333	5.137	30	20	HKED	
CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)[C@H](C#N)c1nccc2ccccc12	447631987	BZSHYQASITWBGH-GOSISDBHSA-N	400.869	5.331	30	20	HKED	
C[C@@H](C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(C#N)c1	462215376	WKXPAUNWEMRKCB-CYBMUJFWSA-N	415.440	5.120	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	464967381	YQYKMTIUDLQRNQ-HBGVWJBISA-N	400.444	5.182	30	20	HKED	
COc1ccc(N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1Cl	466871358	GZWUHSQQZOOKEA-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
FC(F)C(F)(F)COCCNc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	468865153	FNCLLYZPYVIVBW-UHFFFAOYSA-N	412.305	5.222	30	20	HKED	
CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1	469193708	JSEKSGBTOVUZON-FQEVSTJZSA-N	416.352	6.140	30	20	HKED	
C[C@@H]1SCCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H]1c1ccccc1	469413876	KPUZNPPFPJFMOL-MBSDFSHPSA-N	403.551	5.264	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(-c2ccncc2)cc1	472754655	RNMONWHQXPEORQ-MSOLQXFVSA-N	416.550	6.026	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	474433480	NIFHADNWOIELCI-GFCCVEGCSA-N	406.351	5.794	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1NC(=O)Nc1ccccc1	474445818	NOPRUQUYWCCZQZ-SFHVURJKSA-N	418.522	5.709	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)n1	474449223	UVOJTGJQAZOOGH-ZDUSSCGKSA-N	405.310	5.249	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccccc1	474788265	QHNYBCPZSPOJBM-LJQANCHMSA-N	405.885	5.340	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCN(Cc2ccccc2)C1	475012298	CXDVFYPJPRIRBJ-TZIWHRDSSA-N	422.598	5.209	30	20	HKED	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1cc(C#N)ccc1C	475381595	NVMZBCSTRPLGPH-UHFFFAOYSA-N	410.271	5.099	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482444854	HEJJZRZMONTMKW-XXFAHNHDSA-N	408.317	5.249	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@H](C#N)c2nccc3ccccc23)c1	483229645	OQYJSYRKAPKAIQ-JOCHJYFZSA-N	405.457	5.286	30	20	HKED	
N#CCCC[C@@H](NC(=O)CSc1cccc(Br)c1)c1ccccc1	487287197	OGUDBRXFLDDYQC-GOSISDBHSA-N	403.345	5.093	30	20	HKED	
CC(C)(C#N)CCCN1CCC(c2nc(-c3ccccc3Br)no2)CC1	488163144	OJRHIBFWURSQER-UHFFFAOYSA-N	417.351	5.008	30	20	HKED	
C=CC[C@H](C(=O)NCc1ccc(Oc2ccccc2OCC)nc1)c1ccccc1	488626270	VIEGXNREVWMEHM-NRFANRHFSA-N	402.494	5.249	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2cc(-c3cccs3)on2)cc1	494685754	LTQWXDXYOXSAKL-UHFFFAOYSA-N	420.515	5.057	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	495469191	CUTCXZUYOMJSTO-GOSISDBHSA-N	417.534	5.427	30	20	HKED	
C[C@H](Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)C(=O)N(C)CCC#N	495672842	XCIOCJZNAHJSRS-LBPRGKRZSA-N	410.276	5.097	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(F)cc1	497657049	UOXAEUDZIRGOID-UHFFFAOYSA-N	408.473	5.470	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)c3ccccc3n2)cc1	497804641	GYWFKYABDDQHRP-OAQYLSRUSA-N	421.504	5.018	30	20	HKED	
N#CC1(CCCN(Cc2ccccc2Br)C2CCCC2)CCOCC1	499551916	ISUUJUHSJUEKSY-UHFFFAOYSA-N	405.380	5.294	30	20	HKED	
Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccccc1	501468785	SQAPNNIBEQZAGO-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2cccc(F)c2F)cc1	504590834	FYWNVHYBIUUPGE-UHFFFAOYSA-N	408.423	5.137	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCc2ccccc2C1	510008270	QFYBHJJUTZJXFJ-QFIPXVFZSA-N	414.505	5.140	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2ccc(Cl)s2)n1	512811284	DEVFUIUHGGSQAM-UHFFFAOYSA-N	406.935	5.421	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	512943785	TXGSBOITQIMVEV-AWEZNQCLSA-N	424.551	5.050	30	20	HKED	
C=CCN(C(=O)c1cccc2c1CCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	512977730	QVMPODREPIHBQN-UHFFFAOYSA-N	405.479	5.040	30	20	HKED	
N#Cc1c(NC(=O)c2occc2COc2ccccc2)sc2c1CCCCCC2	515448885	CAJYVJKHVMFXOP-UHFFFAOYSA-N	406.507	5.703	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc12	518125665	RMMDWOTVEVMHSO-UHFFFAOYSA-N	417.538	5.135	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2coc3ccc4ccccc4c23)cc1	518276435	SLTMMRFQTZMGFA-UHFFFAOYSA-N	422.406	5.591	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2s1	518827960	AHXDITPJDKMNDS-LLVKDONJSA-N	412.565	5.304	30	20	HKED	
N#C[C@@H](NC(=O)CCOc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1	520536336	BQUVLIOUFSAZIC-JOCHJYFZSA-N	420.896	5.069	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1	521730957	TVYJOWGMGOWQMV-INIZCTEOSA-N	407.564	5.552	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1Cl	521825971	ATQUORKIQKCYKB-HSZRJFAPSA-N	406.913	5.374	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1	522313625	QRHHZEDNIZDLBN-HSZRJFAPSA-N	414.461	5.002	30	20	HKED	
Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)s1	522873994	FEDZLXUZDMMOIO-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)n1	523243180	UOFJJKSGTFOTEH-UHFFFAOYSA-N	408.461	5.651	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CSC2CCOCC2)c1	523794510	AVYJLZYREYFLDN-QHCPKHFHSA-N	424.566	5.013	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	530986386	QSFOSPWMZQKUCY-KRWDZBQOSA-N	407.539	5.411	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)cc1	531267228	WWZGAJMIAJWBEL-UHFFFAOYSA-N	408.404	5.070	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1F	534034714	HXVCJHPWFNVAIJ-UHFFFAOYSA-N	408.404	5.066	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)OCC	535912599	BUBSLOLUUXCGCI-HXUWFJFHSA-N	407.341	5.289	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)n1	537381690	KMNITWZEUJEDBU-INIZCTEOSA-N	408.479	5.193	30	20	HKED	
CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1	538616866	BELHEVHTJBLFKE-RTBURBONSA-N	411.477	5.205	30	20	HKED	
C[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	541088583	CVYWPRIBIXHGCB-MRXNPFEDSA-N	423.438	5.533	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1cccc(N(C)C)c1)c1ccc(-c2cccc(C#N)c2)cc1	542086865	XWWBMUVNCJAYTJ-IBGZPJMESA-N	412.537	5.194	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(COc2ccccc2C#N)o1	542403170	UEHAXHKGEYYKEV-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	542957329	LIHYCTLIPKVJQV-XOBRGWDASA-N	423.879	5.151	30	20	HKED	
O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(F)cc1C(F)(F)F	546535331	QUARDQWNOKEJDC-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CCc1sc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Br	550453738	GNEYZKQXZOTNEE-NSHDSACASA-N	409.374	5.577	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(F)c2ccccc12	554620927	PEKMVKDDYIPDAK-GOSISDBHSA-N	408.521	5.605	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	555078943	CSVFQYYZNYEURR-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)o2)cc1	555338729	LHQKCTLHCCOKOK-MRXNPFEDSA-N	419.387	5.384	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1NCc1ccccc1Cl	565911133	AIPBTJIMVMTLSE-UHFFFAOYSA-N	424.928	5.256	30	20	HKED	
C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)c2cc(Cl)ccc2S1	568831165	VXOPHXOIMZGARE-ZDUSSCGKSA-N	409.898	5.398	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1F	574072110	BTGIKNFOZAXHTP-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Cl)c1	581520640	ICKKTNGXJRXNHN-INIZCTEOSA-N	420.900	5.455	30	20	HKED	
CC(C)Sc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	591862039	KINCNAFXFOACAE-CQSZACIVSA-N	420.481	6.306	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc2cc(F)ccc2s1	592973843	JRFLZVMJVSBCRT-ZDUSSCGKSA-N	413.886	5.702	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	601886570	FLPFFPYNCYRQLV-FQEVSTJZSA-N	407.558	5.500	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(OC(F)F)c1	603689387	KFDFKNZCCVMBPB-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
Cc1c(CNCc2cccc(OCc3cccc(C#N)c3)c2)oc2ccc(F)cc12	604435031	NEEIRUKVUJCSBI-UHFFFAOYSA-N	400.453	5.621	30	20	HKED	
Cc1cc(Br)cc(Cl)c1NC(=O)c1cc2ccccc2n1CC#N	609217032	ZYVYNDCLKGZGQA-UHFFFAOYSA-N	402.679	5.142	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc1-c1ccccc1	609428296	LDOBOHOFDLAVQU-INIZCTEOSA-N	405.523	5.616	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cccnc3Oc3ccccc3)c2)cc1	609642004	MKKNISCWFOYRHG-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(OC3CCCCC3)cc2)CC1	609720994	CUDYHRQLTFUZNZ-UHFFFAOYSA-N	418.541	5.014	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3cccc(C#N)c3)c12	609965977	YKUUDXNIPZZURW-UHFFFAOYSA-N	422.366	5.341	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3OCC(F)(F)F)c2)cc1	609990538	QLOVRCYHSJGGGJ-UHFFFAOYSA-N	411.383	5.495	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nccs1	610018347	AHDSYCNOFJIVSO-LJQANCHMSA-N	406.511	5.175	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)c1C	610053496	IGVAOJKJMXPMQD-RPWUZVMVSA-N	406.489	5.256	30	20	HKED	
CC(C)C[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	610121658	WXADZKXPAYWBEP-LJQANCHMSA-N	422.579	5.470	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2cc3ccccc3n2CC#N)cc1	610191618	QXTPJNJDJJBPHO-LJQANCHMSA-N	423.516	5.674	30	20	HKED	
Cc1cc(F)cc2c(=NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(C#N)c[nH]c12	610246153	HGRTVKGNYKMVIN-RYUDHWBXSA-N	419.344	5.297	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1	612475873	WMDKEEYFHVQSAJ-UHFFFAOYSA-N	401.510	5.389	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC(F)F	613407500	VQKVWROGRMLEBO-LLVKDONJSA-N	408.813	5.050	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N[C@@H](C)CC)cc2)cc1OC	630067736	LMGANGUJDDAAEC-HNNXBMFYSA-N	402.922	5.054	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(Cc2ccccc2F)s1)c1nc2cc(F)ccc2s1	681357108	XOHPVEKEABSNPQ-ZDUSSCGKSA-N	411.458	5.112	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S	726963646	KUDPHCRDWMQJGK-LLVKDONJSA-N	415.560	5.171	30	20	HKED	
C[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)CC(C)(C)C1	727628033	GAWUCCDVNLZNRG-IJEWVQPXSA-N	411.571	5.304	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cc1	728696968	BWTMDWZFYDPTMA-WCLIJEPQSA-N	401.437	5.592	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1c[nH]c2cc(Br)ccc12	729936943	JMCJBPSRHINVAU-RMKNXTFCSA-N	404.267	5.284	30	20	HKED	
N#CCOc1cccc(/C=C\c2nc3ccccc3c(-c3ccccc3)c2CC(=O)O)c1	730151290	JSDUVGVXACZMLC-YPKPFQOOSA-N	420.468	5.602	30	20	HKED	
COc1ccc(/C=C\C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	730994250	HUXAVTGLVYULAF-YHYXMXQVSA-N	406.429	5.372	30	20	HKED	
CC(C)c1nc(C#N)c(NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)o1	731153681	YKVAIVVERJJLOT-UHFFFAOYSA-N	410.909	5.388	30	20	HKED	
O=C(/C=C\c1ccc(-c2cccc(Cl)c2)s1)c1ccc(C(F)(F)F)nc1O	731564960	WNUVENSZPOBIRP-DAXSKMNVSA-N	409.816	6.084	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)Nc3ncccc3OCCCC#N)sc2c1	732640712	IIAGVILNFMXUSE-UHFFFAOYSA-N	413.930	6.008	30	20	HKED	
COc1ccc(Cl)cc1C(=O)/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	733083776	QNBPZARTUPQVEM-SREVYHEPSA-N	400.843	5.276	30	20	HKED	
COc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	734306559	GJQLTIMXYRJREY-ZDLGFXPLSA-N	419.408	5.144	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1cc(Br)ccc1F)C(C)C)c1ccncc1	734678704	ASALDQUGQOJATR-IBGZPJMESA-N	420.326	5.221	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCCC[C@H]2c2cccc(C)c2)c1	735579444	DUFDFNHHCRQURJ-VWNXMTODSA-N	405.542	5.503	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1	739155750	UXRPZJVBBXODOJ-FDDCHVKYSA-N	404.554	5.776	30	20	HKED	
CON=Cc1ccc(C(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1	739766314	PHLMLGAUZHUPLH-QGZVFWFLSA-N	407.539	5.240	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)CC(F)F)cc1	741852004	HNSHLCDBOYIOBU-OVCLIPMQSA-N	412.457	5.289	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Br)c(F)c2)cc1	743447987	YYHIJSYEASKZPD-BLLLJJGKSA-N	417.278	5.063	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N[C@H](C)c2cccc(C#N)c2)cc1	743777009	MMGKCJOVQWAQGG-MRXNPFEDSA-N	417.534	5.486	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1	744028619	MEVZUGMKVOGZDS-IBGZPJMESA-N	422.406	5.294	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(F)c(Br)c2)cc1OCCCC#N	747361700	WYCFTCMFFCSPIK-YWEYNIOJSA-N	418.262	5.175	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Cl)s1	750695559	ZKPVEOYRWVNMPW-NXEZZACHSA-N	408.882	5.783	30	20	HKED	
Cc1cc(CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)s1	753392361	ACTFTBHEJFAZIR-HNNXBMFYSA-N	409.338	5.342	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	753396736	UXINKDLUORSZMS-FZKQIMNGSA-N	411.288	5.598	30	20	HKED	
C#CCCCCNC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	758844102	MEFYSOAFLVDKLE-CQSZACIVSA-N	420.376	5.045	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc([N+](=O)[O-])c1Br	759337423	KCSQWBHFUAEGOY-UHFFFAOYSA-N	403.276	5.462	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1scnc1C1CCCC1	760250774	OGGOOODLNBPKGK-UHFFFAOYSA-N	411.314	5.129	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(Br)cc2)ccc1OC	760477263	FCTLUDMUFBVDGU-RBUKOAKNSA-N	417.347	5.380	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2sccc2SC(F)F)n(-c2ccccc2)c1C	776816347	CRYBOCMIWJZXJQ-UHFFFAOYSA-N	403.479	5.594	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	780146890	KKBVAWJPOCSNEU-MRXNPFEDSA-N	411.436	5.584	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1OCC	780152208	QUCYTDWGXKNSCS-AWEZNQCLSA-N	402.878	5.071	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1	780678529	OYGQGUCYUREGLQ-ZWKOTPCHSA-N	400.482	5.795	30	20	HKED	
CCCc1c(NC(=S)Nc2ccc(F)c(Cl)c2)cnn1-c1cccc(C#N)c1	783950341	BDRRNKWDEKHLBR-UHFFFAOYSA-N	413.909	5.298	30	20	HKED	
CCCCCCN(C(=O)CC(C)(C)C#N)c1nnc(-c2ccc(Cl)cc2)s1	784016172	PVPXCDOXDFPTQB-UHFFFAOYSA-N	404.967	5.712	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Br)cc1C(F)(F)F	790673691	TXLFNEKPBMIFEL-SNVBAGLBSA-N	401.201	5.329	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1	793648988	IYZBKPTWELZLTM-PMACEKPBSA-N	412.965	5.252	30	20	HKED	
CN(Cc1ccccc1OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)OC(C)(C)C	796903879	JSYHTNMNXYZCSB-IBGZPJMESA-N	408.498	5.046	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C2(Cc3ccccc3Br)CC2)n1	796946309	HUBMWKWWSUSLLI-AWEZNQCLSA-N	403.345	5.228	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H]2c2ccc(OCC)cc2)c1=S	798178931	RITBBCQWFNXTFH-LJQANCHMSA-N	410.543	5.053	30	20	HKED	
N#CC1(CCCOC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)CCOCC1	800109454	OIUIYWWOTNMUBA-DJWKRKHSSA-N	401.812	5.016	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccncc1	806821193	RJMCHJSMIYITMG-OALUTQOASA-N	405.420	5.048	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2ccc(C(F)(F)F)cc2O)ccc1OC	810225446	DJDKEZMPQIZPAQ-WMZOPIPTSA-N	422.447	5.341	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OC2(CC#N)CCC2)c(OC)c1	810858024	HYZIEVOQGRNJGT-UHFFFAOYSA-N	418.493	5.164	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)CC1(C#N)CC1	815965843	DPKYOPMNRJFGOG-LBPRGKRZSA-N	405.317	5.179	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1	915086573	LJHRRJKHLGWPCD-GOSISDBHSA-N	401.516	5.779	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1	915179544	RQLFTGPENVGBAT-HXUWFJFHSA-N	413.864	5.903	30	20	HKED	
CCCCOc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc1OCC	915355266	OXLICXNKERPODL-RMKNXTFCSA-N	409.404	5.280	30	20	HKED	
O=C(O)CCOc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	915988257	SIXLKIBLQFTGKU-YFHOEESVSA-N	423.446	5.073	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc2ccccc2n1	916848213	GHKKNPQNCLSLTQ-RDGATRHJSA-N	418.452	5.179	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	916848860	JGOFFDZQTMKRTG-WFASDCNBSA-N	401.318	5.899	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=S)NCCSc1ccc(Cl)cc1	917594439	RTLPHEDXRYYAJC-UHFFFAOYSA-N	407.004	5.003	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1	919825569	NCSINZAUNSQPCL-UHFFFAOYSA-N	418.543	6.081	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920141495	PHPWEBIHAXNLLQ-IBGZPJMESA-N	424.485	5.064	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCOc3cccc(C)c3)n2)cc1	920143880	KVEJXWJMNMSSTF-NRFANRHFSA-N	420.534	5.553	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1	921241493	CZSFBWHIHBEDEE-UHFFFAOYSA-N	407.433	5.046	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1	1786679117	DYZZHCSTURWBNH-UHFFFAOYSA-N	420.534	5.100	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1	1790893239	JYBQOPSUTZILIY-UHFFFAOYSA-N	420.534	5.100	30	20	HKED	
C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1	1792126180	BCCHCXGCFRMXML-XAISSLSSSA-N	401.510	5.028	30	20	HKED	
C=C1CC(C(=O)N2CCC3(CCCN(C(=O)[C@H](c4ccccc4)[C@H](C)CC)C3)CC2)C1	1809152649	DTHNFVJAWMTTIU-QPPBQGQZSA-N	422.613	5.014	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCCC2)CC1	1823750820	UJIHESSGNFSKOK-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(C)c2)c1	14872131	DGIYCFJLGGSAGC-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl	20628017	LCYHSDGKPNBOKH-QGZVFWFLSA-N	418.852	5.074	30	20	HKED	
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccccc2-c2ccccc2C#N)c1	45939977	OHKSGJIPPNKGET-SFHVURJKSA-N	411.505	5.140	30	20	HKED	
CCC(CC)c1nnc(/N=C(\O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)s1	51586436	PMCLNRALPRSCCE-QZTJIDSGSA-N	402.564	5.087	30	20	HKED	
CCN(CCC#N)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S	60159908	KLOOSJAIEIORLG-UHFFFAOYSA-N	411.556	5.403	30	20	HKED	
CCn1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc2ccccc21	65577660	ZDPXXTVHHWMGQW-UHFFFAOYSA-N	409.489	5.559	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1	65869830	AVFMZPZVDJHYOO-UHFFFAOYSA-N	410.517	5.271	30	20	HKED	
Cc1cccc(C)c1/N=C1/NC(=O)/C(=C\c2c(C)nn(-c3ccccc3)c2Cl)S1	96663347	WTLANZNRIOFIDH-LDADJPATSA-N	422.941	5.343	30	20	HKED	
N#C[C@]1(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCSC1	97491427	LSOMNOPNOWXEBZ-LJQANCHMSA-N	423.390	5.415	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl	107806856	HHGJSNRZXQAOMG-RBUKOAKNSA-N	403.869	5.450	30	20	HKED	
CCSCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	108978319	SADVZUCPODVUPV-IBGZPJMESA-N	408.548	5.562	30	20	HKED	
COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(OCCCC#N)c2)c1	110431086	XOPAUIHQTMNOIV-XMMPIXPASA-N	413.477	5.149	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C/C3=Cc4cc(Cl)cc(Cl)c4OC3)ccc2N1	116679281	GEDJBTKIMSGVFS-ORCRQEGFSA-N	400.261	5.093	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2)c1	217049880	FVMACVUSHRWBAO-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1	236899526	JWQOWXXAPDBHIX-XMMPIXPASA-N	411.505	5.108	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1cccc(OCCCC#N)c1	237335198	NOIJCIRBDVYEMO-MRXNPFEDSA-N	409.530	5.791	30	20	HKED	
O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303687462	OGPZNQFFSLRRFF-NWDGAFQWSA-N	419.287	5.152	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(OCC2CC2)c(F)c1	431296250	TYNUNTFWSUGDMD-JTSKRJEESA-N	409.505	5.410	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)ns1)c1nc(-c2c(F)cccc2F)cs1	437388196	QZASYOJVOMASIE-CYBMUJFWSA-N	423.469	5.702	30	20	HKED	
CCc1ccc([C@H](COC)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1	438227658	RLRUPADKOQXUEZ-NRFANRHFSA-N	405.454	5.015	30	20	HKED	
CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](c1ccc(Cl)cc1)c1cccnc1	445792286	CFDNTEDLKURRJM-NRFANRHFSA-N	411.839	5.137	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(OCc4ccccn4)cc3)cc2)cc1	460847443	PTLIMICOCNKEOC-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cccc(CC#N)c1	464460181	MIXJYICRFRGQLT-UHFFFAOYSA-N	403.869	5.219	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	464479711	XKHQZOSZSWTESC-IBGZPJMESA-N	412.436	5.883	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1	467169900	FFYSZXDPQGGADX-GOSISDBHSA-N	402.267	5.137	30	20	HKED	
COc1ccc(C2CCC(Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)cc1	469227256	LBIRXVCMWFVGGH-UHFFFAOYSA-N	417.553	5.416	30	20	HKED	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1	469429812	IPXXQQJZZGRINY-PMERELPUSA-N	421.566	5.245	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1	470683250	PMQONCVLESQCPS-RTWAWAEBSA-N	420.900	5.114	30	20	HKED	
C=C(C)[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(F)c(F)c1	475667014	FENDYOTWJKVWER-HXUWFJFHSA-N	402.441	5.204	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cc2cccc(F)c2o1	475702506	OTVGXQRVHGFWPR-HUUCEWRRSA-N	411.502	5.255	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1	480633430	FZTNTBABZHTMDQ-OSPHWJPCSA-N	413.477	5.584	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)nc2ccccc21	480921333	NSTCYHDQWSSPQU-SFHVURJKSA-N	408.486	5.340	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1cnc2ccccc2n1	483207263	DTRDTTGBPYRNTR-LJQANCHMSA-N	419.440	5.445	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1nccc2ccccc12	483213877	WJDSKZNAWKTTFA-AWEZNQCLSA-N	419.200	5.506	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	485741370	DBBOYDXDMBCILF-MRXNPFEDSA-N	407.470	5.313	30	20	HKED	
C[C@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1c[nH]c2ccccc12	485934637	RRMRZQMGGXMKCU-QHGAOEGBSA-N	401.510	5.040	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	486425361	AZYPWMYAHZETKM-QHCPKHFHSA-N	414.530	5.538	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1	487217508	HKWVVTPNYWVXDP-VWLOTQADSA-N	409.489	5.302	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1	490288613	UASRDAKNUQDNND-UHFFFAOYSA-N	405.401	5.286	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)c1	499091005	INCBXULXTRAPPD-UHFFFAOYSA-N	407.564	5.502	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1	505030066	SAHHNPYPTAFTLL-GOSISDBHSA-N	414.509	5.335	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4c(Cl)cccc4Cl)no3)cc2)nc1	505089150	JLPHHDDMYMIQTQ-UHFFFAOYSA-N	409.232	5.769	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CC1	506940595	PECIARUXSCCJPN-UHFFFAOYSA-N	404.392	5.050	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1)c1ccccc1	507470968	OHCHEYLWDYLKSP-ICSRJNTNSA-N	407.539	5.087	30	20	HKED	
C[C@H]1c2cccc(Br)c2CCN1C(=O)N[C@H](CCC#N)c1ccccc1	509213366	UWJVFCKUEUFXGF-MGPUTAFESA-N	412.331	5.123	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	512431001	WNPLLTRZXJYFHX-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1OC(F)F	517530329	QUMVUMVBLFDJHS-GDBMZVCRSA-N	419.497	5.955	30	20	HKED	
CCCOc1c(Br)cc(CN[C@H](C)c2ccc(C#N)cc2)cc1OCC	517549369	LVPTVJZZLHYZJS-OAHLLOKOSA-N	417.347	5.359	30	20	HKED	
CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)CC1	520197297	BYGAHDRCJKMZQO-VQTJNVASSA-N	414.619	5.057	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	520271566	YLUKDIQVWYEVOT-VBQJREDUSA-N	413.226	5.497	30	20	HKED	
CCOc1ccc(NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	521537657	MUOYLVJCNNRHDH-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCc1cccc(F)c1	521875454	CPCJHUZERMOBSV-UHFFFAOYSA-N	417.484	5.339	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ncccc3OCCCC#N)sc2C)cc1	524234198	AARPZTXLKFDNOL-UHFFFAOYSA-N	407.495	5.062	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1	531266304	FDHYFDYGGZBADI-HXUWFJFHSA-N	404.558	5.087	30	20	HKED	
C=C(C)Cn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1	532273393	MUSNDFUUMZZTSQ-UHFFFAOYSA-N	423.929	5.517	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ncc(-c4ccccc4C)o3)o2)cc1	533817666	QCNXAUSSFJMSCH-UHFFFAOYSA-N	405.479	5.557	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](c1cccnc1)C1CC1)c1ccc(C(F)(F)F)cc1	534702302	PBPOKOAKPGZMNW-VQTJNVASSA-N	403.448	5.558	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1SC[C@H](C)C#N	538123855	BOMSLDPJYCKYKG-QZTJIDSGSA-N	411.571	5.015	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1	538175080	KWRHHMWQZRCSSH-QGZVFWFLSA-N	412.452	5.326	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)CCC3)cc1	538507980	PNTICPYIUMWBOL-VBKZILBWSA-N	407.514	5.558	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	538578010	CWVOOKXAIRPOHN-SFHVURJKSA-N	403.894	5.509	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)NCc2ccc(CC#N)cc2)cc1OC	541326630	MPHLKIAGRLMCQU-XMMPIXPASA-N	400.522	5.152	30	20	HKED	
Cc1nn2c(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c(C(C)C)nc2s1	543114354	MWCAIZCOTGTNKU-INIZCTEOSA-N	415.566	5.612	30	20	HKED	
COCCSc1ccc([C@@H](C)NC(=O)c2sc3ccc(C#N)cc3c2C)cc1	550681534	PEOSYNOPKGKBBW-OAHLLOKOSA-N	410.564	5.311	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1	550831255	UTAVUJDDNPZDBR-IIBYNOLFSA-N	409.986	6.858	30	20	HKED	
CC1(C(=O)N2CCC[C@]3(CC=CCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1	552989787	IDMMKPFFXRRLJB-XMMPIXPASA-N	411.977	5.167	30	20	HKED	
COc1cc(Cl)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	557542138	CRUXXJXUSHVKIP-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2o1	558841463	BWAHKPVARSVDSM-ZDUSSCGKSA-N	413.380	5.460	30	20	HKED	
Cc1csc(N(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc2)n1	561674861	HISLHNCPTCFXDV-UHFFFAOYSA-N	420.513	5.044	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1	570988382	SBUVFDOAGQCJQR-UHFFFAOYSA-N	421.010	5.194	30	20	HKED	
O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1sccc1F	571823674	PAEURDRRUGCWAD-UHFFFAOYSA-N	417.302	5.022	30	20	HKED	
N#Cc1cc(Oc2ccc(NCC(=O)Nc3cccc(Cl)c3Cl)cc2)ccn1	576273927	MYJBLDAAECIVFY-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
N#Cc1ccc(CNCc2cccnc2Oc2cccc(F)c2)c(C(F)(F)F)c1	577328263	ZYBVPOKAMBCYGE-UHFFFAOYSA-N	401.363	5.193	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	582448501	IYZCYVQBGQIFQK-KXBFYZLASA-N	413.447	5.132	30	20	HKED	
N#CCc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	584077167	CCGRWGXYOSBVDN-UHFFFAOYSA-N	412.424	5.225	30	20	HKED	
COCCOCc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	588926870	CQACLUJUBRPVDU-HXUWFJFHSA-N	400.522	5.239	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCc2ccc(C(F)(F)F)cc2C1	600849438	DODNQEPTPSKHMV-UHFFFAOYSA-N	407.317	5.105	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CCC3)oc2ccc(Br)cc12	602755196	YPDUCLRRUQKBKF-UHFFFAOYSA-N	401.285	5.178	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4ccccc4Cl)on3)cn2)c1	603623394	UTXOHNUOSBQYDM-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
COc1ccc(-c2nsc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1	609127584	JXRJREMZFAKOAH-UHFFFAOYSA-N	412.474	5.005	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1	609435208	YHPDTGHFTWZPQY-CVDCTZTESA-N	415.562	6.186	30	20	HKED	
N#Cc1ccc(CN2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c(F)c1	609449605	ADMXTAMNAHQBCI-UHFFFAOYSA-N	418.447	5.039	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc2Cl)cc1	609553903	MFIGGONGRXNIPE-INIZCTEOSA-N	421.888	5.139	30	20	HKED	
CN(C)Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	610165491	QOZZTHBQCVQMSJ-UHFFFAOYSA-N	419.912	5.105	30	20	HKED	
COc1ccc(C[C@H](NCc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1OC	614178815	FMOUDFYWIYVFSA-DEOSSOPVSA-N	414.549	5.579	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1	614888794	ASCRSLPROXTQCT-INIZCTEOSA-N	412.917	5.172	30	20	HKED	
COc1c(F)cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	615554276	LOFCUUXLHJZHED-YUMQZZPRSA-N	420.300	5.004	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NS(=O)(=O)c1cccc(CC#N)c1	619462515	FGVQOVQXYIXLOX-GOSISDBHSA-N	406.507	5.002	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)cc1	725855648	FHQRFYZQNCEUDJ-UHFFFAOYSA-N	418.504	5.048	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H]2c2ccccc2OC)c1=S	727829734	WMEGFYSAPFGTCX-FQEVSTJZSA-N	424.545	5.209	30	20	HKED	
O=C(/C=C\c1nccn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	728697534	RGWWWFLRPMTCRY-UPHRSURJSA-N	416.243	5.379	30	20	HKED	
COc1ccc2cc(-c3cc(C(=O)NCCCCC#N)c4ccccc4n3)ccc2c1	728853200	YYUAMKGWZQWLII-UHFFFAOYSA-N	409.489	5.487	30	20	HKED	
COc1ccc2oc(C(=O)/C=C\c3cc(Br)c(O)c(OC)c3)c(C)c2c1	729151780	XRGSBWOIZWOBGS-XQRVVYSFSA-N	417.255	5.123	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2F)c2ccccc2F)cc1Cl	729820990	BBMRTWMPDKKMPE-UHFFFAOYSA-N	413.880	5.893	30	20	HKED	
Cc1ccc(C2=CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1	731031471	SJTJMGNCVJKQEU-LJQANCHMSA-N	405.567	5.117	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1-c1ccc(F)cc1	731349841	TZOQEJPHCZLHNY-MRXNPFEDSA-N	407.514	5.880	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)c(Cl)c1	731643108	CMCRUOZPIWWFSC-CQSZACIVSA-N	418.505	5.404	30	20	HKED	
Cc1ccccc1C(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CC1	731926635	NZCFKNJGAOXEGZ-UHFFFAOYSA-N	405.523	5.022	30	20	HKED	
C=CCN(CC1CCCCC1)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S	732672013	ZNCSTOWPKOCATF-UHFFFAOYSA-N	423.586	5.143	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)OCC(=O)Nc3sccc3C#N)sc2c1	732684942	QPXTYFARZTXXKJ-UHFFFAOYSA-N	418.927	5.407	30	20	HKED	
N#CCOc1ccc(COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)cc1	733423895	OUVIXIKNUTZTEG-UHFFFAOYSA-N	420.534	5.435	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1	733852116	SEPVMMVHLLHGEE-QGZVFWFLSA-N	406.486	5.128	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3cc(F)ccc3C2=O)cs1	734305423	UXBAJXSHNBYDKT-GXDHUFHOSA-N	412.873	5.443	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C)c1ccncc1	740481539	ZIIYFIAPKVQJFL-NQIIRXRSSA-N	420.582	5.842	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1	746126383	YRDFEELKHHBOGX-UIOOFZCWSA-N	409.533	5.335	30	20	HKED	
COc1cc(C=NOCc2ccc(Br)cc2Cl)ccc1OC(F)F	747088182	UKCDNSORIQHZST-UHFFFAOYSA-N	420.637	5.263	30	20	HKED	
COc1cc(/C=C\c2cc(Cl)n3c(nc4ccccc43)c2C#N)ccc1OCC#N	747090183	ASYNCNYAMWSPQH-VURMDHGXSA-N	414.852	5.094	30	20	HKED	
N#Cc1ccc(/C=C2/CN(C3CCCCC3)C/C(=C/c3ccc(C#N)s3)C2=O)s1	748998492	QGKQSSZCAJOFAH-APGQMXJTSA-N	419.575	5.237	30	20	HKED	
C[C@@H](O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	749347850	BZRHAUCZCVSBFJ-OPAMFIHVSA-N	419.912	5.370	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc3cccc(OC)c3o2)ccc1OCC(F)(F)F	750904518	WTYICEIDRBWBAW-SOFGYWHQSA-N	406.356	5.287	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(C2CC2)n(-c2ccccc2)c1=S	751929931	BHXWGWHOJLBLPH-YADHBBJMSA-N	415.566	5.010	30	20	HKED	
CCn1nccc1/C=C1/CCc2nc(-c3ccc(Br)cc3)sc2C1=O	753718378	YPTFFPXIJLSFIB-QBFSEMIESA-N	414.328	5.002	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(Cl)ccc2O)cs1	757469112	ZAXILEANPJFLGF-POHAHGRESA-N	412.898	5.391	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc2cc(F)ccc2s1	759329984	VGJNMKOZDSKTHA-FYCOFBDGSA-N	407.857	5.527	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)cc3OCC#N)c2c1	760797829	ZAJKYORDDCMDLN-UHFFFAOYSA-N	411.436	5.504	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1	761244418	UTYHIJBIHJPGMW-IBGZPJMESA-N	407.857	5.278	30	20	HKED	
Cc1sc2ncn(N=Cc3c(Cl)oc4ccccc34)c(=O)c2c1-c1ccccc1	761250841	OTSLDBPCFFFUNK-UHFFFAOYSA-N	419.893	5.715	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(Cc2cccc(Cl)c2)C(C)C)c1=S	764901497	JVRKDTGXLYCJHB-UHFFFAOYSA-N	413.978	5.184	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(Cl)c2ccccc12	766400769	UFCSSEMOEWGMGH-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	767585647	KGSUQCMYROIFLA-GOTSBHOMSA-N	415.493	5.450	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)ccc2c1	770845500	BRGLDTBXZIPVOB-AOMKIAJQSA-N	412.514	5.952	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1)C(F)(F)F	774054266	RHRUSVGHGHOGOP-AWEZNQCLSA-N	408.807	5.141	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1	775527709	UANPMDVJJNRAEC-RTWAWAEBSA-N	412.537	5.043	30	20	HKED	
C[C@H](N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(OCC#N)cc1	776156408	MDSIQFINKZTBHW-UUOWRZLLSA-N	414.484	5.170	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NOC2CCCCC2)cs1	777457596	XUOANEORRDUVMA-UHFFFAOYSA-N	411.449	5.530	30	20	HKED	
C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	778535675	ROEVPOAVLOQSLH-VIFPVBQESA-N	422.655	5.486	30	20	HKED	
N#CCC1CCN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1	782057024	XGTABMFXYAHUNX-UHFFFAOYSA-N	401.482	5.511	30	20	HKED	
O=C(/C=C\c1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1)c1ccnc(Cl)c1	782195272	VFDAZPREESBUGI-SFECMWDFSA-N	409.272	5.576	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2	782743571	HOMBXMKFCHVTQD-NYHFZMIOSA-N	416.550	5.428	30	20	HKED	
C=CCN(C(=O)c1nc(Br)ccc1C)c1nc(-c2ccccc2)cs1	786611129	UFEZVKMBCHHQKX-UHFFFAOYSA-N	414.328	5.109	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1nccc2ccccc12	792090267	CSQSJKWMWYMWAN-WIOPSUGQSA-N	412.489	6.084	30	20	HKED	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C(/C(=O)C(=O)O)c1ccc2ccccc2n1	806570263	UZGKORSORWSHOS-OIKHISIKSA-N	411.379	5.394	30	20	HKED	
COc1ccccc1C1(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)CCCCC1	816093598	SMDNLLKLYMEAPF-MRXNPFEDSA-N	402.416	5.187	30	20	HKED	
CN(C)c1nc(CN[C@H](CCCC#N)c2ccccc2)c(Cl)n1-c1ccccc1	816627534	QEWGSRLFKFWYFR-HXUWFJFHSA-N	407.949	5.116	30	20	HKED	
O=C(CCc1ncc(-c2ccccc2F)o1)N(O)Cc1cc(Cl)cc(Cl)c1	901380092	MHGCSNCXMVKMPO-UHFFFAOYSA-N	409.244	5.138	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)n1CC(F)(F)F	915199539	DYYIGLSKKDRHII-NRFANRHFSA-N	411.427	5.575	30	20	HKED	
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cc2ccccc2o1	916138372	HIPGXVBULRKORX-SEYXRHQNSA-N	405.457	5.636	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	920269379	UACCGQOHWJVFOJ-LPHOPBHVSA-N	405.523	5.281	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	920805373	CSCNMPVFLPIXSP-GFCCVEGCSA-N	416.474	5.298	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@@H]54)CCC3)cc2)CC1	1787880589	VEBBVMMARRDLEM-YUXAGFNASA-N	419.569	5.031	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1	1791586482	YFHWHXCPEPSQBD-UHFFFAOYSA-N	417.484	5.145	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2	1798337587	BSXMDVMUHOYOCS-LRSLUSHPSA-N	402.623	5.390	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(C)cc2)cc1	10173135	UKRIPJCPBDKEEG-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccccc1	21755315	BDTFPQVDBXRJPP-FUHWJXTLSA-N	424.595	5.037	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(CN2CCCCCC2)cs1	29639315	HGLBKAGQKXJWIQ-UHFFFAOYSA-N	416.550	5.310	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1C#N	46644551	DAROJCBMCBUZBH-UHFFFAOYSA-N	401.919	5.245	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2s1	55035229	SAYOAPWDTJQGNM-UHFFFAOYSA-N	403.463	5.007	30	20	HKED	
CCN(Cc1ccncc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	56750874	SIXIWYVWVQAVJO-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1	78668890	LVKKUAIDCZKXQI-UHFFFAOYSA-N	422.531	5.444	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2)c1	217049918	FVMACVUSHRWBAO-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)c1	237408015	OTNGYXABXQVDFD-GOSISDBHSA-N	402.494	5.005	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1ccc(OCCC(=O)O)cc1	303162239	HGHYKNQAEUUBFN-DHZHZOJOSA-N	411.454	5.007	30	20	HKED	
CCS[C@@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1	303464999	PDKPOMUEABILGY-OAQYLSRUSA-N	409.555	5.799	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(OCC4CCCC4)CC3)c2)cc1	435131094	XQCMSALWULKCSJ-UHFFFAOYSA-N	419.525	5.554	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1C#N	435553637	IETXZANCOFUFOD-UHFFFAOYSA-N	414.509	5.017	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)c1	435715715	RJAQNENEIAWUMG-UHFFFAOYSA-N	402.416	5.444	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1)c1ccccc1	435759685	IYGOPWNGYQCOPM-QFIPXVFZSA-N	415.541	5.068	30	20	HKED	
COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437476561	OLZQVJFSTPGWNU-INIZCTEOSA-N	420.440	5.042	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cc(Br)cc1F	438637217	NXTOAGRWUVVSFY-UHFFFAOYSA-N	408.246	5.043	30	20	HKED	
N#CCC[C@@H](NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1)c1ccccc1	440257190	PBLQIPNDFQJVEI-XMMPIXPASA-N	416.500	5.020	30	20	HKED	
N#C[C@H](C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)c1ccccn1	442655316	QNKURXCANZAQLR-INIZCTEOSA-N	413.329	6.171	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)NCC2CCC(C#N)CC2)C(C)C)cc1	442728376	IMMOFUXJCIDRLI-UHFFFAOYSA-N	419.569	5.612	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	443858208	PYZNHYCPYSQZKG-UHFFFAOYSA-N	421.497	5.663	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c2ccccc21	443952111	YJIAIQSAHBZTEJ-UHFFFAOYSA-N	401.388	5.138	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)C[C@@H]1c1cccc(F)c1	444170044	SZMAFJIONYLOOA-CBGDNZLLSA-N	411.546	5.099	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CN4CCCC(C)(C)[C@@H]4C#N)nc(O)c23)cc1	444718752	PHCFCRBIFHABGG-KRWDZBQOSA-N	406.555	5.195	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(Cl)c1	444904377	HUSIDHLYNCECNC-UZLBHIALSA-N	413.974	6.351	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccoc3Br)c2C#N)C1	447127351	CLOUCMRGKNNSSF-SNVBAGLBSA-N	407.333	5.379	30	20	HKED	
CC(C)(C)[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1	448018612	PVCAQOMMXNBWRN-CTNGQTDRSA-N	411.933	5.274	30	20	HKED	
C=CCN(C(=O)c1sc(C(C)(C)OC)nc1C)c1nc(-c2ccccc2)cs1	463106119	INCYSWWCIONKEN-UHFFFAOYSA-N	413.568	5.289	30	20	HKED	
CN(C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463696860	FLTVNRYQANGPBH-XBFCOCLRSA-N	400.338	5.034	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cs1	463747758	WFNMSCYXRYTSBE-MRXNPFEDSA-N	402.306	5.420	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464462564	AIORWPUDPXSCMX-KRWDZBQOSA-N	407.351	5.254	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1	465530998	WFYWFMDUEZQKOQ-NRFANRHFSA-N	411.839	5.079	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	465659100	LUOHJQHMQCPNDU-MOPGFXCFSA-N	413.521	5.697	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1	467081236	YJUQDMMWBJGQSI-KRWDZBQOSA-N	417.440	5.640	30	20	HKED	
Cc1ccc([C@@H]2CSCCN2C(=O)c2cn(CCCC#N)c3ccccc23)cc1	469432563	STXILGOBSSJGCU-QHCPKHFHSA-N	403.551	5.184	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	470884088	VBNLMBUSXDZTNV-WMZHIEFXSA-N	409.489	5.328	30	20	HKED	
Cc1nc2cc(C(=O)Nc3ccc(C#N)cc3Cl)ccc2n1Cc1ccsc1	472554400	NEOLOQOTEWYCGR-UHFFFAOYSA-N	406.898	5.232	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	472758370	XQJSSEWLJDZMSK-AGHHOFFYSA-N	409.555	5.431	30	20	HKED	
Cn1cc(CNc2ccc(N3CCCCC3)c3ncccc23)c(-c2ccc(C#N)cc2)n1	475332382	JPWRYFZDOITJMA-UHFFFAOYSA-N	422.536	5.109	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1OC)C[C@@H]1CCCO1	475545349	JHCWOZRBHAUCCY-QFIPXVFZSA-N	422.569	5.760	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccccc2F)cc1	480401304	FDEASVKUXAENNL-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
CCCCCn1nc(C)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	482601221	CNXXHAPGYVYJSW-UHFFFAOYSA-N	418.566	5.798	30	20	HKED	
Cc1cccc(-c2nnc(SCc3ccc(F)cc3C#N)n2Cc2ccco2)c1	483127311	BKUKVGMNYUTABQ-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
Clc1ccc(C#CCSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1	485300767	ILPZCXHVEJIAQY-UHFFFAOYSA-N	416.937	5.186	30	20	HKED	
N#CCCN(C(=O)c1cc(-c2ccccc2)ccc1Cl)c1ccc2c(c1)OCCO2	486215602	CCTXDEGBRGVXNQ-UHFFFAOYSA-N	418.880	5.339	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c[nH]c2ccccc12	495079245	MWUWZVWLSSOPFV-IBGZPJMESA-N	423.516	5.945	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N(C)CC(C)(C)C#N)c2nc3ccccc3s2)c1	497260991	KZKWIWUBTWWPMI-LDADJPATSA-N	419.550	5.244	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C	500323993	APALXSWSLKPXDQ-UHFFFAOYSA-N	411.571	5.211	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cncc(Br)c1	500741874	HOGXCUZHCWADMO-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	501010561	LJBSOCNBYSOTBP-ZDUSSCGKSA-N	409.873	5.142	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1	502242112	KJWSBGPGIUHPAN-UHFFFAOYSA-N	417.469	5.134	30	20	HKED	
C[C@H](CCc1ccc(Br)cc1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	506278730	GRDDPPACSNMHHL-OAHLLOKOSA-N	414.347	5.393	30	20	HKED	
C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	507195930	WBVVEPUEOHTHJP-FQEVSTJZSA-N	423.516	5.561	30	20	HKED	
C[C@@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)Nc1sc2c(c1C#N)CCC2	507255265	ZISVUOAYHJHMOU-SECBINFHSA-N	418.494	5.095	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1	512512731	ZFTIGCVAUJAPPD-HNNXBMFYSA-N	408.502	5.032	30	20	HKED	
COc1cc(F)c([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	512559656	MLDITVOMHNSDBX-UONOGXRCSA-N	417.506	5.120	30	20	HKED	
C=CCn1c(-c2ncccc2C)nnc1N(Cc1ccco1)Cc1ccc(C)s1	514831209	LJOROUUHYFXNPA-UHFFFAOYSA-N	405.527	5.004	30	20	HKED	
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	516078530	RMGGTBWGLDTLEW-UHFFFAOYSA-N	419.504	5.113	30	20	HKED	
CC(C)Oc1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	516541257	PEUZXCIMGSOXEF-UHFFFAOYSA-N	416.546	5.568	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	516890894	VIYDUKAOUCOAPJ-GOSISDBHSA-N	415.276	5.174	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	517586539	TWYYEJNOHPSQQG-UHFFFAOYSA-N	405.542	5.599	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc12	517793023	CKKRCSHLGSHFQE-KRWDZBQOSA-N	412.474	5.086	30	20	HKED	
N#Cc1cc(Br)ccc1CNc1ccccc1NC(=O)C[C@H]1C=CCC1	518002526	MJARFKMREOLJNZ-HNNXBMFYSA-N	410.315	5.228	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccc2ccccc2c1	518256198	PQPDFMRGFULHPS-QGZVFWFLSA-N	405.523	5.435	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1	518922576	YZGNNNFOBURJDB-MHJFOBGBSA-N	416.443	5.101	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	520130671	YBVRVJGJEFHKTE-NRFANRHFSA-N	415.537	5.162	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(O)cc1)Cc1ccco1	520856941	YEBSTZZTCXHYLI-KRWDZBQOSA-N	421.522	5.471	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3cc4ccccc4n3Cc3ccccc3F)[nH]c12	522829216	XRTLERXBUNZGJQ-LJQANCHMSA-N	422.463	5.504	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C2CC(c3cccc(F)c3)C2)cc1	522880062	RAPMJXVQCFSRRE-UHFFFAOYSA-N	414.480	5.603	30	20	HKED	
CC(C)(C(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc(Br)c1	523956990	PPTWZLIINSJITI-UHFFFAOYSA-N	403.345	5.177	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)cc1OCC1CC1	524861441	XIOFREUIXXIEDM-UHFFFAOYSA-N	418.493	5.890	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc(-c2ccc(OC)cc2)nc1C	530401818	UCUHNTNUWBKGOY-UHFFFAOYSA-N	406.551	6.231	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@](C)(O)[C@H](C)c1ccccc1	531100315	YVTMNQVYMPDJIB-IQGLISFBSA-N	400.478	5.152	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2Cl)nnc1-c1ccccc1C	535991533	JOMBOXLVZCGNKD-UHFFFAOYSA-N	412.946	5.132	30	20	HKED	
Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@H](C)c3cccc(C#N)c3)cc2Cl)n1	538633367	ABLQUTUFZWPZGW-SJORKVTESA-N	421.932	5.398	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)c2)n1	539155248	RTNUJGJSWGFTGC-UHFFFAOYSA-N	422.488	5.819	30	20	HKED	
C[C@@H](N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(C#N)c(F)c1	539611418	NUXGFCUMNBXGGN-WAIKUNEKSA-N	402.448	5.278	30	20	HKED	
CCCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	539655612	YSLPWZQWNHQBQG-HSZRJFAPSA-N	423.438	5.321	30	20	HKED	
Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1	543349288	JNWLXIGHEABYHF-FQEVSTJZSA-N	401.470	5.089	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2c1	543447359	DRUDKUBQZIODMU-GFCCVEGCSA-N	403.301	5.574	30	20	HKED	
C[C@@H](NCc1ccc(OCc2cccnc2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543875268	RHBXSNFUIXAAIS-OAQYLSRUSA-N	419.528	6.050	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)c1ccncn1	546858889	QHTMXMTWWWMSBV-LJQANCHMSA-N	411.486	5.274	30	20	HKED	
CC(C)c1nc(Cc2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)cs1	547093834	JOBYSJBZLHZYIE-CMDGGOBGSA-N	403.511	5.279	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc2ccccc2s1	553034697	OOCLUJQFKGLNMP-CQSZACIVSA-N	413.593	5.562	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1	553441372	VGEODJZZWKHMAO-IBGZPJMESA-N	405.542	5.334	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCC3(Sc4ccccc4)CC3)cc2)ccn1	558510634	DMEBNIPGYGOSBU-UHFFFAOYSA-N	416.506	5.192	30	20	HKED	
CSc1cccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2ccc(F)c(F)c2)c1	560260716	YKWUHXQDUWDOLT-HSZRJFAPSA-N	420.488	5.085	30	20	HKED	
CN(C(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1)c1ccccc1	561155462	ZDUPHQHRYPPRTJ-UHFFFAOYSA-N	415.518	5.221	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNCC(C)(C)CCC#N)cs1	561748978	RWRKEVAAHJLKNE-UHFFFAOYSA-N	424.492	5.266	30	20	HKED	
CCOc1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2cccc(Cl)c2)cc1	563683100	MMNKHJHJUZZBRV-XMMPIXPASA-N	416.912	5.137	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCc1cc(F)c(C(F)(F)F)cc1F	566637881	XFBDUOCQYUQRBO-MRVPVSSYSA-N	415.328	5.210	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccc(F)c(F)c1	568886902	NHARTMZDMARHQS-UGKGYDQZSA-N	424.495	5.014	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C2CC2)no1	570951050	SBHPHRVWTFTYKL-FQEVSTJZSA-N	417.469	5.130	30	20	HKED	
Cc1sc([C@H](C)NC(=O)c2cc(C#N)ccc2Cl)nc1-c1ccc(Cl)cc1	579863679	HSWHSVNCWMNOEJ-NSHDSACASA-N	416.333	5.788	30	20	HKED	
N#Cc1ccc(CNCc2cc3cc(Br)ccc3[nH]2)c(C(F)(F)F)c1	583864517	QNYYTMVDOBPCMK-UHFFFAOYSA-N	408.221	5.111	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1ccc2ccccc2n1	601931047	AFNRRAHZSSWYHA-LJQANCHMSA-N	400.384	5.795	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1	603638067	KCNSBWPDIQLKBY-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)s2)cc1	603660102	MFWXCPRHRUAQFP-OAQYLSRUSA-N	417.538	5.150	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C3CC3)nc21	603819833	COVMEKZYQMJJJW-UHFFFAOYSA-N	419.554	5.344	30	20	HKED	
CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H]1CCCc2ccccc21	603831475	JNXLISNTPVFOKF-DEOSSOPVSA-N	424.504	5.352	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1	603895587	VTEGFUFHJYPWNP-QGZVFWFLSA-N	405.523	5.109	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)ccc21	604691162	JSQHCFNHKYUGMR-CYBMUJFWSA-N	412.371	5.267	30	20	HKED	
C=CCCCCCN(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	606816426	WLEYRFUDOHELMY-UHFFFAOYSA-N	417.903	5.175	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)N[C@H](C)C(=O)Nc3ccccc3C#N)cc2)c1	609041178	DYPORWFKJWRWTK-VQTJNVASSA-N	413.521	5.124	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1cccnc1	609078058	BEMWTSPNEKLSRQ-XMMPIXPASA-N	412.493	5.210	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl	609377410	UKHLDEYDXIXXIZ-NSHDSACASA-N	421.374	6.712	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	609387030	GZCLVMREFKOGII-UONOGXRCSA-N	409.471	5.070	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCC1CCCCC1	609387040	HJYBHLDRQUGREP-AWEZNQCLSA-N	413.509	5.208	30	20	HKED	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cn2)CC1	609436301	IHZNSKHCYIXUQV-SFHVURJKSA-N	423.586	5.034	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(O)CCC(C(C)(C)C)CC1	609555714	BXJXBSQEZTVSQG-YPHUNTSASA-N	403.592	5.170	30	20	HKED	
CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccc(C)cc1)c1cccnc1	609577276	LMNMJDSLZZWPBM-RUZDIDTESA-N	408.505	5.120	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1Cl	609643376	BMHDOCITGMGPMB-OAQYLSRUSA-N	417.871	5.797	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1	609735398	JTOXRWBXOODWFK-LHSJRXKWSA-N	413.861	5.243	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	613290299	BZODIYUYYAVCHR-KRWDZBQOSA-N	403.894	5.810	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCC1	642158962	ZBLSKFRYNFTJFQ-NHAGDIPZSA-N	411.361	5.273	30	20	HKED	
O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	679383704	HJZREOQYDMLVBH-OAGGEKHMSA-N	424.360	5.144	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)cc1Cl	726627695	SWIXKCOUNWIBRL-VIZOYTHASA-N	422.865	5.219	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2nc(-c3ccsc3)oc2C)cc1OC	726787547	OCRUZGARRJEOQF-UHFFFAOYSA-N	406.891	5.323	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1	727629555	ZRBMUOZEQOSWMO-CYBMUJFWSA-N	424.831	5.657	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F	731332179	FNFZJYMEHVCMFC-HNNXBMFYSA-N	408.473	6.278	30	20	HKED	
CN(C)C(=O)Sc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	731416806	FASVJGLEOQZUMT-UHFFFAOYSA-N	417.490	5.377	30	20	HKED	
Cc1cc(C=NNc2cnnc(O)c2Cl)cc(C)c1OCc1ccccc1Cl	734746896	SWRVMGMWHFPVSJ-UHFFFAOYSA-N	417.296	5.131	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	735395775	CEDGIBCZCQPVSY-LPHOPBHVSA-N	407.311	5.442	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1	736955217	GTWVYRCJCALBTA-CJFMBICVSA-N	413.496	5.578	30	20	HKED	
CN(C)C(=O)Sc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	737833201	WHWQVBCIMGQPHP-UHFFFAOYSA-N	416.506	5.328	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)ccc1OC	749132686	UUTLYLQVGVPJRP-RDGATRHJSA-N	404.485	5.394	30	20	HKED	
CO[C@H]1Cc2ccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2C1	752944664	RBDCRPMOGBJMQZ-GKVSMKOHSA-N	411.505	5.222	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)cc1	755164846	GSYTVEWXWYVGSS-HXUWFJFHSA-N	404.416	5.222	30	20	HKED	
CCN(CC)[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1	755634366	HZOFANPCKCATHB-IRLDBZIGSA-N	419.550	5.078	30	20	HKED	
Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)nn1CCC#N	768045629	GYYFFYOSUHRKDU-UHFFFAOYSA-N	415.884	5.226	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)Cc2ccc(C(F)(F)F)cc2)ccc1OC	772985668	LUHMNKANTGGBFQ-HNAYVOBHSA-N	406.448	5.116	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C/C(=O)c1sc(C(C)(C)C)nc1C	774121755	YLVUSFQCQCUDIC-ZHACJKMWSA-N	411.976	5.092	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H](c3ccc(F)cc3)CC2)c1=S	777970869	TYNNJELFWINHGJ-GOSISDBHSA-N	423.561	5.028	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1	780156261	BLQDQJWGEYSPGB-KRWDZBQOSA-N	412.445	5.555	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nccc2ccccc12	792099649	IKBLOQKWXRRZMN-AUUYWEPGSA-N	417.921	5.793	30	20	HKED	
O=C(/C=C/Sc1cc(F)ccc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	797836882	AYEBJWFIEROWRI-HIHHVFROSA-N	419.337	5.160	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1	802045581	PVMLDEKUNRBYGV-JTQLQIEISA-N	400.834	5.449	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1	810261154	BJZLLUMIGIQXSO-BJKOFHAPSA-N	419.569	5.571	30	20	HKED	
N#CCSc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1	812832410	ZCLWFASNMOIMTG-UHFFFAOYSA-N	405.504	5.102	30	20	HKED	
COc1cccc2c1[C@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CC2	815911369	ZPYIRGFSFAFCNG-SJORKVTESA-N	408.910	5.378	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)n1	821626088	DCJPIRMGSBNNGS-SWLSCSKDSA-N	419.344	5.114	30	20	HKED	
COCO[C@@H](C)c1cc(F)c(CNc2cc(C)cc(C#N)c2)cc1Br	864038549	ULBRVOMWNAHSDG-ZDUSSCGKSA-N	407.283	5.062	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1	915086944	YPMYOELCUKFEPQ-LOSJGSFVSA-N	412.489	5.152	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2cccc(Cl)c2)n1	916884294	AHATXJFDKYJTQN-OAHLLOKOSA-N	416.289	5.078	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3Cl)n2)cc1	920141635	KTEYTNBSRBUYMQ-MRXNPFEDSA-N	412.301	5.408	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccc(F)cc1Cl	921182599	JCYCDUAIWFQYKQ-CQSZACIVSA-N	422.843	5.202	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CCC1	1790301639	KKWSIEZTKFYBFU-HSZRJFAPSA-N	418.537	5.211	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)s2)CC1	1823750267	GRVAYOZPZIBLES-GOSISDBHSA-N	420.594	5.113	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccoc1C	6911713	UKWLMYTUCYTZFK-INIZCTEOSA-N	418.522	5.305	30	20	HKED	
COc1ccccc1-n1c(SCc2ccccc2C#N)nnc1-c1cccs1	9967481	OAACSQPDIDBPDZ-UHFFFAOYSA-N	404.520	5.168	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccccc2C)cc1	11165870	ZYQTZDTWJQATFH-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccccc1C	11168911	QRVFWQRPKXUSLJ-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)c1	22729157	TYZVSXUMDOPWGH-UHFFFAOYSA-O	421.611	5.582	30	20	HKED	
C=CCN(C(=O)c1cc2ccc(F)cc2nc1C)c1nc(-c2ccccc2)cs1	24773801	ZFTJUFACANDTGM-UHFFFAOYSA-N	403.482	5.639	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCOc3ccccc3Cl)c2)c1	32291245	PRWWFKZZZLXRJG-UHFFFAOYSA-N	406.869	5.198	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(C)c2)c1	33721290	BKBVDGQIBLTLJE-UHFFFAOYSA-O	409.962	5.604	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2ccccc2s1	41498060	WHZGEAKPQVWAGK-GOSISDBHSA-N	403.507	5.305	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2ccccc2[nH]1	46441068	HWIKARFKTAQMMH-LBPRGKRZSA-N	400.488	5.391	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-c4cnco4)cc3)c2)cc1	56892922	GTDCOEJJKLWNID-UHFFFAOYSA-N	409.445	5.239	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1	57282409	FJKXSQYAIHCMKN-INIZCTEOSA-N	417.490	5.250	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3)n2Cc2ccco2)cc1	60697515	HOMRHNUIPIAULX-OAQYLSRUSA-N	400.507	5.122	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1	63402619	ZKBPDWDMVUAQQI-QHCPKHFHSA-N	419.456	5.221	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1	63962319	SPYVODWWZWRTGG-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1	111199996	IIYHTANSDYRGTI-UHFFFAOYSA-N	411.461	5.252	30	20	HKED	
COc1ccc([C@@H](NCc2cccc(OCCCC#N)c2)c2ccc(F)cc2)cc1	237276179	KFGAQRYCNWPPJV-VWLOTQADSA-N	404.485	5.396	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1Cl	303401570	REIWYNMZORDZAX-UZLBHIALSA-N	413.974	5.367	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1-c1c(F)cccc1F	428587868	SHGYPRGGIIMSAQ-UHFFFAOYSA-N	419.431	5.251	30	20	HKED	
N#CCSc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	432236466	VARAJLMYSKWKTF-AWEZNQCLSA-N	411.458	5.194	30	20	HKED	
N#Cc1ccc(C2(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)cc1	435933284	DSWZLCGJRSIZAO-QHCPKHFHSA-N	405.501	5.019	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Oc4ccccn4)c3)cc2)nc1	437504672	VIHDABNGCFKMMS-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)oc1C	437851404	SBUIXYQOMXHSDF-FCHUYYIVSA-N	400.482	5.262	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCC2(CCOCC2)CC1	438683716	UMAHWKBJLAOMBK-UHFFFAOYSA-N	419.525	5.520	30	20	HKED	
COc1ccc(-c2csc(NC(=O)C3(c4ccc(C#N)cc4)CC3)n2)cc1Cl	444253380	YCWDMEHFLARTJJ-UHFFFAOYSA-N	409.898	5.014	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	463394897	QAMHKLBPLJTIPR-KRWDZBQOSA-N	416.452	5.124	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1	466454783	KPUHYAMVBXMTII-LBPRGKRZSA-N	420.897	5.049	30	20	HKED	
C[C@@H](c1ccc2ccccc2c1)N(C(=O)Nc1ncccc1OCCCC#N)C1CC1	466602037	QBRLBDBVPQHRNC-SFHVURJKSA-N	414.509	5.675	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1	466951022	ZIMGNKLWURMATQ-DQEYMECFSA-N	419.569	5.202	30	20	HKED	
C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2ccccc2c1	469977085	ZGNBCLPTGVSNHQ-GOSISDBHSA-N	411.505	5.165	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1	470730019	NVGMKVCVUBKLKH-SFHVURJKSA-N	401.853	5.325	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3ccccc3)c3cccc(Cl)c3)o2)c1	471618509	BFGRLUWNLYFVLZ-JOCHJYFZSA-N	400.869	5.141	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CC2CCCCC2)CC1	475546070	LDMIBWSWPYFSGD-UHFFFAOYSA-N	411.590	5.185	30	20	HKED	
COc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1NC(=O)C1CCCCC1	476059128	AEMBAEAVGJLBFC-FQEVSTJZSA-N	419.525	5.240	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1	476065707	WJOVBWFOIOSWLP-GDLZYMKVSA-N	408.567	5.321	30	20	HKED	
Cc1sc([C@H](C)NC(=O)c2c(F)cc(C#N)cc2F)nc1-c1ccc(Cl)cc1	479211288	PQKQSJKOCMVBFW-JTQLQIEISA-N	417.868	5.413	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1cc(C#N)c[nH]1	479846388	FBMABUYBRWSPTJ-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1	480345847	WROKVIKGJIUNDR-HZPDHXFCSA-N	419.978	5.235	30	20	HKED	
CC[C@H](C(=O)N1CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1)c1ccccc1	481931165	YYDRTCFLIRKZNM-AHWVRZQESA-N	415.581	5.100	30	20	HKED	
COc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c(C(F)(F)F)c1	486240480	IMCDSHJBILXPDN-AWEZNQCLSA-N	410.289	5.278	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	487752655	PRWRVPOSYARKDH-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)c1	488013302	HIBGZCATBNIMSZ-UHFFFAOYSA-N	424.479	5.034	30	20	HKED	
Cc1csc(C2(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CCCC2)n1	495009872	REBCEDAYKWVRSX-UHFFFAOYSA-N	403.507	5.315	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccccc2Cl)oc2ccc(Br)cc12	499913151	INLHNPWEAMEMFH-HNNXBMFYSA-N	403.663	5.152	30	20	HKED	
C[C@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccc(Br)s1	501190458	YMJIRPILQHLMHA-JTQLQIEISA-N	418.341	5.248	30	20	HKED	
COCCOc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	502648014	DSTSSGRPGJFIIX-UHFFFAOYSA-N	403.438	5.020	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Oc3ccccc3)c2)cc1	502653872	UONSZUQXIUXDAE-UHFFFAOYSA-N	402.454	5.430	30	20	HKED	
CC(C)N(CC#Cc1ccccc1Cl)Cc1nnc(-c2ccccc2Cl)o1	502757453	XZLKZSJFSUNCNL-UHFFFAOYSA-N	400.309	5.306	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nccn1C(C)(C)C	503168328	ZPKCRQZVGKLXSS-UHFFFAOYSA-N	420.538	5.341	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1OCc1cscn1)c1cccc(Cl)c1Cl	505346360	VZEAGNDSVOLDNS-INIZCTEOSA-N	418.305	5.024	30	20	HKED	
N#Cc1ccnc(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)c1	507208225	HGSSELPFDKKETL-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)c2)cc1	510027992	WDMFUFIXPBAQDB-CJFMBICVSA-N	412.489	5.248	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	510089725	OFJUKAARHLNKGP-UHFFFAOYSA-N	415.371	5.343	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CSCCCC2(C#N)CCOCC2)on1	512321722	GDZOUNRAYREDGL-UHFFFAOYSA-N	422.550	5.837	30	20	HKED	
CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	517460787	VKBLMXMWTUEWMI-HOCLYGCPSA-N	413.509	5.303	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1	519201692	UYUJKKKWHNYIIQ-UHFFFAOYSA-N	413.477	5.426	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(C)cc3C)n2)cc1	519458178	UQVYDPPYHRWSSM-UHFFFAOYSA-N	405.523	5.386	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2c(F)cccc2F)n1	519515467	JLQCOOSWFUZVFG-LBPRGKRZSA-N	415.490	5.735	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)Nc3cc(C#N)ccc3OC(F)F)c(C)c2c1	520742588	AKNUGZFTELIWLR-GFCCVEGCSA-N	415.396	5.106	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC	521286453	VEZLESJSFXYBIS-VWLOTQADSA-N	413.521	5.278	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	521329204	WQPHABLTRBTKAN-MJGOQNOKSA-N	411.546	5.071	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1	523136264	DLLQWGYKQUGFMU-NRFANRHFSA-N	404.466	5.389	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	523586313	CWAPWLOQIWWFGG-QGZVFWFLSA-N	423.438	5.725	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	524626112	QOKUFILTCBHMBE-UHFFFAOYSA-N	405.523	5.529	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)s1	525051025	KCOZJUNOOMOFGF-KRWDZBQOSA-N	419.550	5.298	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ncc(-c2ccccc2)o1	525346187	CUCJUHQATFSYPH-QGZVFWFLSA-N	424.460	5.888	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3nc(C(F)(F)F)cs3)cc2)c1	525417323	ZWQFQRNRSGLVCE-UHFFFAOYSA-N	418.400	5.148	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C(F)F	534000437	DPBJORHYKHOLHX-UHFFFAOYSA-N	410.424	5.393	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C1CC1	534247542	XWSOUDWXVXBYCM-KRWDZBQOSA-N	414.509	5.434	30	20	HKED	
Cc1ccc([C@@H](N[C@H](C)c2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1	537305074	BDNBJVGFNORCMK-CLOONOSVSA-N	418.562	5.019	30	20	HKED	
CCCCOC1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	541159142	UBJLMDYIPMYQRU-IBGZPJMESA-N	405.542	5.277	30	20	HKED	
C[C@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2cccc(C#N)c2)cc1	542947158	SKLCVIXTIJUIMK-INIZCTEOSA-N	414.896	5.779	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	544614795	SOVLFNJOZXGHSF-MJGOQNOKSA-N	421.394	5.100	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	546754588	UFQSUCUKVVCAHK-SJLPKXTDSA-N	408.926	5.159	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)cnc1C(F)(F)F	550710675	WFZMXXXHPKXPQT-UHFFFAOYSA-N	407.823	5.210	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CC2)c1	552045889	SKFFUHPBTDERSV-UHFFFAOYSA-N	407.832	5.208	30	20	HKED	
Cc1ncsc1CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	553237406	AGMZBOQGWQNRPS-GOSISDBHSA-N	410.930	5.424	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(OC)cc1	558448199	RWCFHJLCDUXOFR-DYESRHJHSA-N	422.504	5.093	30	20	HKED	
COc1ccc([C@H](CCC#N)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc1	560266561	IOTOKWYNQDDVHQ-SFHVURJKSA-N	403.498	5.329	30	20	HKED	
C[C@@H](c1ccccc1)N(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CC1	562087329	MYEJIGIKJIVXPD-AWEZNQCLSA-N	403.404	5.257	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccs1)c1ccc(C(F)(F)F)cc1	563917987	UPCYYWXRPJKQLZ-WMLDXEAASA-N	424.488	5.110	30	20	HKED	
N#Cc1csc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)n1	564619036	FQGIHBLKJDLVQE-UHFFFAOYSA-N	402.529	5.823	30	20	HKED	
N#Cc1cc(NC(=O)c2ocnc2C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1	567306791	KMXIKCWHNNJYJS-UHFFFAOYSA-N	413.355	5.487	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2c2ccc(C#N)c([N+](=O)[O-])c2)nc1-c1ccccc1	575915359	RVXREQVDJSVTAW-LJQANCHMSA-N	402.454	5.586	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	579872749	XQZPJZGSHMWYGH-RQGSJKACSA-N	421.566	5.117	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1	583170017	HMSKXBQSYGLQGY-IZAXUBKRSA-N	423.479	5.086	30	20	HKED	
N#Cc1cc(Cl)cc(Br)c1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	587989105	JDVOPNNYVPSZAG-DTORHVGOSA-N	421.566	5.151	30	20	HKED	
Cc1cncc(N(Cc2ccccc2Br)C(=O)CCCCCC#N)c1	588986248	IAYSYRPGRXCJCK-UHFFFAOYSA-N	400.320	5.160	30	20	HKED	
CCn1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C	589018804	AHGZJEFKKRFASV-AWEZNQCLSA-N	419.337	5.440	30	20	HKED	
Cc1ccc(OCCCCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	589365753	PWGZRTMZOCCBLD-UHFFFAOYSA-N	416.481	5.035	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc2cc(F)ccc2s1	592974769	ZEDKVXRYRYORAJ-HNNXBMFYSA-N	406.463	5.218	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(-n4nccc4-c4ccccc4)c3)[nH]c12	605363131	KLSFPBLIEUKWMO-NRFANRHFSA-N	417.472	5.214	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	608915191	IDKWOWSJINILCZ-UHFFFAOYSA-N	411.465	5.060	30	20	HKED	
CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C#N)ccc1OC(F)F	609081071	FRDJQBVRBWELTE-UHFFFAOYSA-N	400.212	5.130	30	20	HKED	
CN(C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccc(C#N)cc1F	609217373	DLQAPHAJNUQYRE-UHFFFAOYSA-N	415.443	5.580	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1occc1COc1cccc(C#N)c1	609377338	SNLKZXRROOGGIN-MRXNPFEDSA-N	417.490	5.234	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2)c1	609436992	JAVNUZPBNTUYHX-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
COc1ccc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	609723452	VWODDQRJPLPMJF-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1	609811287	XTIPSVPOUWSVTB-UTKZUKDTSA-N	408.571	5.516	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccccc2)on1	609900384	AMQOKBWHPUFJHB-INIZCTEOSA-N	423.563	5.465	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(c3ccccn3)CC2)c1	611085471	AXEOQECYMCOLQA-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(Cl)c1	611351511	KMTQMAPJNOEGJQ-UHFFFAOYSA-N	406.272	5.334	30	20	HKED	
Cc1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1NC(=O)c1ccccc1F	617896343	GWHOZSUCOQETKL-FQEVSTJZSA-N	423.447	5.425	30	20	HKED	
O=C(Nc1cccc(OC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618540577	UKZYCQZSWDDQGQ-DTORHVGOSA-N	424.263	5.180	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622477959	QQEWVBDPKALEMI-SJCJKPOMSA-N	421.356	5.833	30	20	HKED	
O=C(Nc1ccccc1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642389957	MZIBKUOKTVBZBB-IUCAKERBSA-N	422.291	5.736	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc2ccccc2n1	678572106	BXECMWZDSWMQGA-HNNXBMFYSA-N	407.260	5.217	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	679982026	CQHJIYSMZLSVST-KIDURHIOSA-N	413.324	5.335	30	20	HKED	
C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccccc1Cl	685554031	WVHQBSXOABTLTP-LJQANCHMSA-N	424.932	5.047	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3c(Cl)nc4sccn34)s2)cc1	727974090	FXAZZAFUHBVCOV-FPLPWBNLSA-N	415.927	5.386	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	728770918	YWKNOQIYXSXSAD-INIZCTEOSA-N	400.434	5.227	30	20	HKED	
C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccccc1NC(=O)c1ccccc1	729895221	OAWLPKGQLZPYGA-GOSISDBHSA-N	423.472	5.335	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1ccc2ccccc2n1	730071127	GXUAVYQUJIJFHE-KBMIEXCESA-N	412.489	6.084	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	730490926	NZJHULZTSZPOGX-ZWKOTPCHSA-N	410.304	5.232	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1	731646187	ZFAXMPNQOCITTQ-QGZVFWFLSA-N	420.296	5.335	30	20	HKED	
CCCN(C(=O)/C=C/c1ccccc1C#N)[C@H](c1cccnc1)c1ccc(F)cc1F	732096160	DHPPUGLDZMUUTP-QXJBOHEXSA-N	417.459	5.273	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)sc2c1	732708597	RBVJXLUNPTUWAO-HNNXBMFYSA-N	412.946	5.486	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)ccc1OC	733324062	WFJLBNKZOWJTEE-WMLDXEAASA-N	408.420	5.126	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740059065	FCJLAJXSJRXMNQ-OAHLLOKOSA-N	409.942	5.843	30	20	HKED	
C[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)CC1CCC1	740888263	DPHRYABUTVWEJZ-XMSQKQJNSA-N	410.521	5.087	30	20	HKED	
C=CCc1cc(CNCc2ccc(-c3ccccc3OC)cc2)cc(OC)c1OC	742370362	NXOPZBHEPWPBRZ-UHFFFAOYSA-N	403.522	5.398	30	20	HKED	
Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1NC(=O)OC(C)(C)C	742595190	DLDFPEADMKFBQH-UHFFFAOYSA-N	421.541	5.512	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	743227616	FXSLJVXLUFHMHX-MRXNPFEDSA-N	415.559	5.554	30	20	HKED	
C[C@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	744036432	YSTCXADBJNNAOJ-IAQYHMDHSA-N	400.862	5.174	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@]3(C)CCc4ccccc4C3)n2)cc1	744063185	YVRGOMAMTIKJPX-YKSBVNFPSA-N	402.519	5.190	30	20	HKED	
C[C@H](ON=Cc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)no1	744445765	VPOIEAZHMUTPKA-NSHDSACASA-N	406.667	5.264	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(NC2CCCCC2)sc1=S	751930131	CNPZUZMJJBVMBB-OALUTQOASA-N	413.616	5.148	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	754468994	ISAHLUFXNFPUMK-UHFFFAOYSA-N	420.513	5.434	30	20	HKED	
CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CC2	756303271	UEEGHMBWGKKVQK-SANMLTNESA-N	423.516	5.177	30	20	HKED	
Sc1nnc(SCc2ccccc2)n1N=Cc1c(Cl)oc2ccccc12	761250974	DFNVXOIHGYSFHJ-UHFFFAOYSA-N	400.916	5.141	30	20	HKED	
Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(N4CCOCC4)cc3Cl)co2)cc1	762437164	CMEYLVUUWBSZGI-RMKNXTFCSA-N	408.885	5.036	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	763477099	MFVXSDNJUKEFON-KRWDZBQOSA-N	418.518	5.799	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771099285	QMACIMYOKFHUNB-XZVRFQMRSA-N	424.497	5.188	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1	771442276	GAEDPPXMOKOZIH-RUZDIDTESA-N	410.521	5.224	30	20	HKED	
C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1cccc(OCC#N)c1	772417391	LEUBVKYQDRESLP-UQBPGWFLSA-N	411.505	5.200	30	20	HKED	
C=CCOc1cccnc1C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1	775111535	AOUVRBRRXYCUEO-UHFFFAOYSA-N	420.412	5.146	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1N[C@@H](C)c1ccc(OCC#N)cc1	777661352	UUFDAGBCFAHXKX-KRWDZBQOSA-N	406.457	5.489	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F	778994113	HGYKLTXAMGDXAD-INIZCTEOSA-N	420.765	5.237	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cs2)cc1	780163195	KSBJRYHWVGXXJY-HNNXBMFYSA-N	407.495	5.140	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COCCc2ccccc2)c1	780526775	WPBQGRRUPYYXRY-LJQANCHMSA-N	415.493	5.381	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1	781083461	GKOWNJLFNOHCRE-AWEZNQCLSA-N	412.968	5.252	30	20	HKED	
COc1cc(CN(Cc2c(F)c(F)c(F)c(F)c2F)C2CC2)ccc1OC(F)F	781529412	NPOYJEWJOLYLNS-UHFFFAOYSA-N	423.328	5.157	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(F)(F)F)c(F)c1	784489961	AATLQTOYMYLFPT-JTQLQIEISA-N	419.161	5.112	30	20	HKED	
CCCc1c(NCc2cccc(SC(=O)N(C)C)c2)cnn1-c1cccc(C#N)c1	784671207	HLERUPRTLBGSMQ-UHFFFAOYSA-N	419.554	5.082	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccccc2F)CC1)c1nc(-c2c(F)cccc2F)cs1	785884033	FAZCEYKMQCBCAE-CQSZACIVSA-N	412.436	5.427	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](CC)c2ccccc2)c(Cl)c1	787037094	KJIBADLIJCEXPS-TZIWHRDSSA-N	412.917	5.109	30	20	HKED	
C[C@]1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C[C@H]2CC[C@H]1O2	791775788	MVNUPHKVMCNWST-AYJDZPCBSA-N	407.322	5.251	30	20	HKED	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl	793127886	ZRCFFGSSHBUFCY-GDBMZVCRSA-N	422.834	5.275	30	20	HKED	
N#C[C@H](C(=O)C(F)(F)Cc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	796653035	XHXALVZBBRXYGH-CYBMUJFWSA-N	410.367	5.369	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(c2cccc(Br)c2)CC1	799086979	KAEKIFXPEMAFFZ-UHFFFAOYSA-N	415.356	5.085	30	20	HKED	
Cc1occc1-c1nnc(Sc2nc(Cl)c(C#N)s2)n1Cc1ccccc1	804338038	GUNOJEQVGNSBAA-UHFFFAOYSA-N	413.915	5.028	30	20	HKED	
C[C@H](OC(=O)c1cc(C#N)ccc1Cl)c1nc2cc(C(F)(F)F)ccc2n1C	808659623	SVVZFNRMFGKVEU-JTQLQIEISA-N	407.779	5.035	30	20	HKED	
C#C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1	812750634	AQQMTRRUERZJAY-QFIPXVFZSA-N	400.478	5.094	30	20	HKED	
COc1cccc(CC2(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)CCCCC2)c1	813211115	DMDTZTBEFGBSQT-LJQANCHMSA-N	416.443	5.478	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1sccc1Br	915987984	OSDZGBRDOKFPKG-UTCJRWHESA-N	400.297	5.381	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1	916137877	JQHNDTTVSCCHCR-WZUFQYTHSA-N	420.396	5.381	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1	916897016	SCSWNHSJUIBCKN-QGZVFWFLSA-N	409.898	5.042	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3)cs2)c1C	917184682	QILOWPJIDPYCOW-UHFFFAOYSA-N	407.564	5.466	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)no1	918052380	FPZKEHKWEVFTEX-HXUWFJFHSA-N	422.872	5.669	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1[nH]c2ccc(F)cc2c1Cl	919431845	LSMSCZHHVSPTQE-UHFFFAOYSA-N	418.877	5.034	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCCO3)cc2)CCC1	1786643950	KBXYKNIDKOELIA-OAQYLSRUSA-N	412.574	5.072	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)CCC2)C1	1789231409	FBAMQBKWDMALTA-UHFFFAOYSA-N	417.484	5.021	30	20	HKED	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1	1790289601	DQOMLIJKXKHSBX-UHFFFAOYSA-N	401.510	5.052	30	20	HKED	
CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1	1790893707	UKJVTGBGPRJEAV-OAQYLSRUSA-N	422.550	5.135	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C3(F)CCCCC3)CCC2)cc1	1791298572	CNTVWDMDKATABI-UHFFFAOYSA-N	408.464	5.004	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1	1792039789	OAJUQNDGVHKINA-QFIPXVFZSA-N	406.570	5.469	30	20	HKED	
C=CCn1c(SCC(=O)N[C@H](CCC)c2ccccc2)nnc1-c1cccc(C)c1	21334043	IRAZRPGOLKOGCM-OAQYLSRUSA-N	420.582	5.189	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccccc2CC)cc1	22732020	FAZASKAIHJKWDK-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C	36022813	JCQNSNSIOSJPTE-DABDWFRDSA-N	423.513	5.237	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl	55166300	COHQUAUWMBZJAU-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1	56652341	HMNGVUPDDQONRG-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1cccs1	56800269	FYYQTBTWZHFDTR-OAQYLSRUSA-N	403.507	6.090	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)c3cccc(C#N)c3)cc12	63324772	DHSFETVLBNFUIK-UHFFFAOYSA-N	406.898	5.197	30	20	HKED	
N#CCCn1cc(CNCc2ccc(COc3ccccc3)cc2)c(-c2ccccc2)n1	237831916	MMISAYNFFZODHI-UHFFFAOYSA-N	422.532	5.333	30	20	HKED	
CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2c(OC)ccc3ccccc23)cc1	254583386	OVNFLKHGCRWPAY-UHFFFAOYSA-N	404.495	5.050	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cccc(C#N)c1	302936750	JOIKRMKODFIDOO-UHFFFAOYSA-N	413.861	5.225	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)CO1	304074776	UXQPSYSSPSUCQF-UQBPGWFLSA-N	412.489	5.261	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2F)C1	410290802	SFMQHWQMKKNZGV-NSHDSACASA-N	405.313	5.493	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	430511514	PGNWPJXIPHUBSA-LBPRGKRZSA-N	420.321	6.027	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1	432676393	GEBHHEAQAPYKBJ-INIZCTEOSA-N	415.518	5.188	30	20	HKED	
CCOC1(C)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	432679234	IPNHWQOWBBVPLN-FQEVSTJZSA-N	411.933	5.418	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1OCCc2sccc21	432799350	BLOKFQVYZPPDLI-IVZQSRNASA-N	419.506	5.236	30	20	HKED	
Cc1c(Br)ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1F	433751936	RVLPXZLTHRNRLJ-MAUKXSAKSA-N	416.294	5.200	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1	436361733	DMYDRDNYJLWGBG-UHFFFAOYSA-N	420.415	5.167	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)s2)cc1	437156753	QATFXRXWRXFHJC-CVEARBPZSA-N	422.476	5.096	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	438671327	YNJKPWVXAYSXAY-AWEZNQCLSA-N	424.501	5.788	30	20	HKED	
C=CCC[C@@H](NC(=O)CSCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1	441564777	LQBLSMNZYROXEN-GOSISDBHSA-N	412.477	5.367	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	442681970	JFEIBGKDPFILSW-ZDUSSCGKSA-N	400.454	5.344	30	20	HKED	
C[C@H](CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(C(F)(F)F)cc1	442998414	JLGWDQDDTFVXHW-QGZVFWFLSA-N	412.459	5.376	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	463819592	UOVZKHNITOHMCJ-UHFFFAOYSA-N	417.227	5.316	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c12	464420284	MQHHHVVSRHXHLQ-MRXNPFEDSA-N	422.366	5.102	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	464505829	FQGLHFNITXRERB-ZDUSSCGKSA-N	424.407	5.108	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)s1	464974049	SPFZCCFCZRFVQI-MRXNPFEDSA-N	405.523	5.566	30	20	HKED	
COc1ccc(Nc2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1	469321872	QBBPZDCGFHFMOZ-CQSZACIVSA-N	424.551	5.542	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccccc2F)n1	470912177	CXOYQFLWBYIIKV-UHFFFAOYSA-N	409.530	5.545	30	20	HKED	
CCCOc1ccc(C(F)(F)F)cc1NCc1nnc(-c2ccc(C#N)cc2)o1	471614655	NERSIDSNIUBSOS-UHFFFAOYSA-N	402.376	5.028	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	472436165	URRCQPBDWJKAIQ-FYYLOGMGSA-N	414.461	5.110	30	20	HKED	
N#Cc1ccc(C2(C(=O)N[C@@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)cc1	474186218	VHGVQTWMXJVTMM-LJQANCHMSA-N	417.509	5.046	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	475566925	JNJXTWNWDWIZAA-UHFFFAOYSA-N	402.542	5.826	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)nc1-c1ccc(Cl)cc1	476299280	JEEKRNWVPJXMKA-BEFAXECRSA-N	423.969	6.037	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc(OC(F)(F)F)c1	477314017	CAZQTLMFBCQSSO-UHFFFAOYSA-N	413.245	5.040	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H](c2ccco2)C1	480207752	FQUHUHPFQVKIEL-CZUORRHYSA-N	407.392	5.097	30	20	HKED	
C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cccc(NC(=O)c2ccccc2)c1	481921661	NPVYFRYMDMGDGD-SIBVEZHUSA-N	409.533	5.929	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1sc(C)c(C)c1C#N	483074508	WGVZJFCCLAUOSI-UHFFFAOYSA-N	401.875	5.114	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cnc2ccccc2n1	483225239	ZSMPFCRMGLHLEI-OAHLLOKOSA-N	405.866	5.517	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)c1ccncn1	483800379	BOGGHKNOFNDDEH-GFCCVEGCSA-N	418.667	5.719	30	20	HKED	
CC1(C)C[C@]1(C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	484922467	XEQGNJRTKHBLNQ-HXUWFJFHSA-N	417.296	5.059	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1	485263081	VLJCSWRGCOTURO-UHFFFAOYSA-N	405.970	5.326	30	20	HKED	
CC[C@@H](NCc1cccc(OCCCC#N)c1)c1cc(F)cc(Br)c1	485704838	ZLEALMSOLSZCNH-HXUWFJFHSA-N	405.311	5.512	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	487860190	UHCXSUURBCJRMT-RBUKOAKNSA-N	421.566	5.189	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Sc2ccccn2)cc1	498262726	SJQKBQMFJWVSRT-UHFFFAOYSA-N	412.436	5.033	30	20	HKED	
Cc1nc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2s1	498585094	VISUPARXMHNGQQ-UHFFFAOYSA-N	415.522	5.251	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1	505834867	VCCGIBJTYYSBNB-NRFANRHFSA-N	410.945	5.067	30	20	HKED	
Cn1cc(Oc2ccccc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cn1	509520570	DKKQNACQHVZNSY-UHFFFAOYSA-N	410.433	5.129	30	20	HKED	
O=C(Nc1cc(F)ccc1OC(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510107717	BOLFUACGJGKEKG-ZDUSSCGKSA-N	410.289	5.381	30	20	HKED	
CCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@@H](C)c1ccc(C#N)cc1	510387581	DKBRBOVGYZEHLO-ZDUSSCGKSA-N	424.854	5.037	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(OC(F)F)cc1	513135623	MCEJIQZAINXYCR-MRXNPFEDSA-N	422.431	5.230	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC	513853053	RACYMYXFXLLLTQ-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	514223818	TXIWNJDZTAIYAI-PBHICJAKSA-N	414.493	5.491	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3C)n2)nnc1-c1ccco1	514376892	SWFDRKCBKALDNM-UHFFFAOYSA-N	409.540	5.525	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c2ccccc21	515121475	AWDCWLHRWBLSPF-QHCPKHFHSA-N	417.509	5.665	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc2ccccc2s1	516267288	VBGKVMADQVPODD-CYBMUJFWSA-N	413.289	5.279	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)o1	518668830	OQUDZQAFTKDETH-UHFFFAOYSA-N	419.222	5.319	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1	520197681	LPFNXOHQKSZBNA-UHFFFAOYSA-N	420.538	5.469	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	520942897	SVXAWXOGNGDXRL-XLIONFOSSA-N	409.555	5.019	30	20	HKED	
C[C@H]1C[C@H](C)CN(CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	521963015	ATSGWNYLLQMJSY-SFTDATJTSA-N	419.569	5.033	30	20	HKED	
CS[C@H]1CCC[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	522707547	KGVWLDWSAJMSND-FPOVZHCZSA-N	409.555	5.127	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	525558207	AJLGESVHVYQRER-NHCUHLMSSA-N	420.434	5.621	30	20	HKED	
COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc12	530853684	JYEUUDADFLINJF-LLVKDONJSA-N	418.316	5.009	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1-n1cccn1	532359326	ZQFXBZJOHSYQOJ-HXUWFJFHSA-N	408.505	5.174	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2ccccc2)[C@@H](C)C1	532576435	BDTWJUUFDNHRPT-DYXWJJEUSA-N	407.583	5.002	30	20	HKED	
COc1ccc([C@@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1	537040617	JWLSJIWVGPRWGT-HXOBKFHXSA-N	411.571	5.015	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc(C4(C#N)CC4)cc3)s2)cc1	538573480	HMRLPNWPLJEZQP-HNNXBMFYSA-N	417.534	5.173	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3Br)cc2)CC1	540739969	JKXAIFWDENDKGO-UHFFFAOYSA-N	409.205	5.275	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)Nc3cc(Cl)ccc3C#N)s2)cc1	541660190	GHZYARYXRQJTNX-CQSZACIVSA-N	424.957	5.241	30	20	HKED	
C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1	542099828	NGVIKMFCMITGDS-GOSISDBHSA-N	408.505	5.302	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1	542954369	GRNIYOUEOITNQL-QGZVFWFLSA-N	424.504	5.383	30	20	HKED	
FC(F)(F)c1cc([C@H](NCc2cccnc2)C(F)(F)F)cc(C(F)(F)F)c1	543052690	PIKJYXGSEKBCKB-ZDUSSCGKSA-N	402.260	5.512	30	20	HKED	
CC(C)C[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccs1	543485668	GTQZPNCYSHTWPO-WMZOPIPTSA-N	401.601	5.315	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	543852598	XQIDXWXMOVEIHL-QGZVFWFLSA-N	412.493	5.375	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCCn2ccnc2)CC1	543965860	OBZUVDDWAXZYQG-SFHVURJKSA-N	411.575	5.002	30	20	HKED	
C=CCOCCCc1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	546546155	NPYNADYDLPAZLL-UHFFFAOYSA-N	406.269	5.366	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CC3(CSc4ccccc4)CC3)CC2)c(F)c1	552345778	LZEIXFRUGARFKG-UHFFFAOYSA-N	424.541	5.030	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C	552575962	OUOXBVLJDOLJAP-UHFFFAOYSA-N	401.253	5.123	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1OCCc2sccc21	555989057	YTTTZNIYSSOYFR-OYHNWAKOSA-N	404.491	5.301	30	20	HKED	
COc1ccc(-c2csc(CNC3CCN(c4ccc(C#N)cc4)CC3)c2)cc1	560530105	NXMJONDLGLBFQH-UHFFFAOYSA-N	403.551	5.054	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCC2CCCCC2)CC1	567011912	QIAKCNMGPQLAFG-SFHVURJKSA-N	415.603	5.674	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3cc(C#N)c4ccccc4n3)ccc21	568693880	QXXBNTLOOCHXOA-UHFFFAOYSA-N	423.398	5.308	30	20	HKED	
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNc1cc(CC#N)ccn1	574452046	MPJWZLACXJXIRT-UHFFFAOYSA-N	413.456	5.185	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(Sc3cc(C#N)ncn3)n2C2CCCC2)cc1	579072170	CCYZUFXJVGLGDP-UHFFFAOYSA-N	404.543	5.171	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2cccnc2)cc1	579522372	SWQOFZBHGQFABY-UHFFFAOYSA-N	405.502	5.262	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Oc2cccnc2)cc1	583107765	HETKKFHPJLYJTC-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2C)o1	589275275	MVQAQHFCVGZTQU-MRXNPFEDSA-N	413.568	5.110	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccccc2Cl)n1)c1nc2c(s1)CCCC2	589289912	SLBYMGHVNKSTDS-UHFFFAOYSA-N	415.971	5.632	30	20	HKED	
CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(I)cc1	590256875	CPUYRIFQASKTSW-PMACEKPBSA-N	418.322	5.767	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1	601186513	ZMOHFKROJWIIRW-SANMLTNESA-N	420.516	5.722	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSCc1c(C)noc1C	603532654	JCMINAQOIMNJIJ-UHFFFAOYSA-N	423.513	5.077	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	603693524	XWEHCIYCZSYJIT-JOCHJYFZSA-N	414.465	5.123	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)cc1	603802053	ZKUMTMQZIIVYOZ-QHCPKHFHSA-N	403.551	5.674	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)s2)cc1	605363092	IMOLPDVDCNYGID-QGZVFWFLSA-N	416.506	5.192	30	20	HKED	
CC(C)c1nc(CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1	608841843	ZNZLYKLSXHJEDQ-UHFFFAOYSA-N	406.511	5.295	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnc(Cc2ccc(F)cc2)s1	608897030	KIFTVFAZIFKYFX-UHFFFAOYSA-N	407.514	5.043	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(F)cc1	609078884	SIWAACXSUGUHHS-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(F)cc1	609378352	DLOKGPLAZVCGBH-ZDUSSCGKSA-N	410.436	5.983	30	20	HKED	
CCN(CC)Cc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	609436857	HVPAADDSVKVJJF-SFHVURJKSA-N	410.587	5.244	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(Oc4ccncc4)c3)cn2)cc1	609577129	PTVOROMPTHLEHR-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609617463	WMLNFWVRVKVHKD-CYBMUJFWSA-N	424.888	5.278	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	609643762	LHXZWGJFGDXJFU-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccc(OC2CCCCC2)cc1)c1ccccc1	609701399	MDNMFBQCPAPGMK-UHFFFAOYSA-N	419.525	5.064	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CSc4ccccc43)cc2F)c1	609807626	FQBKNRQJWZETNL-HXUWFJFHSA-N	419.481	5.245	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1	609863365	XLCKJFWLTOFULQ-UHFFFAOYSA-N	422.937	5.663	30	20	HKED	
C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1-c1ccc(Cl)cc1	610086971	IANRBIBWUPITQN-INIZCTEOSA-N	410.926	5.059	30	20	HKED	
Cc1cc(F)cc2c(N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(C#N)cnc12	610275747	UTLNRGZAMAKMTJ-VXGBXAGGSA-N	405.317	5.121	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(cnn2C(F)F)c1	610962198	GCKRJQZBYUMXNX-UHFFFAOYSA-N	420.444	5.707	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	613403771	SPOHWDIHQMQQRD-HNNXBMFYSA-N	414.914	5.627	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[C@@H]1C(F)(F)F	616761770	ALCPHUFLNTYWQH-KRWDZBQOSA-N	418.419	5.188	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1oc2c(c1C)C(=O)CCC2	643151466	CWARTCIURHKOLO-UHFFFAOYSA-N	416.452	5.273	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	644786792	QWBPWVNRBIMMCP-ZDUSSCGKSA-N	410.367	5.917	30	20	HKED	
O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	676575672	HLTZMELUCMQZOK-RKDXNWHRSA-N	413.667	5.172	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2CC)cc1	681397591	LHUHCYLQUWBYMI-HSZRJFAPSA-N	403.526	5.042	30	20	HKED	
COc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c(O)c1	725837191	ADBPSADHYIHAFV-UHFFFAOYSA-N	408.458	5.048	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C=NNc3ccc(OCC(F)(F)F)cc3)c2C)cc1	727261888	JRVGWXDSHAJHFD-UHFFFAOYSA-N	416.447	5.244	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1OC(F)F	728694573	BNNVKGIXAUNVBQ-SREVYHEPSA-N	401.390	5.036	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)CCCCc2ccc(C(C)(C)C)cc2)c1OC	729431746	GIQQWJZXMMKFAD-OAQYLSRUSA-N	408.542	5.095	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	729891444	IUVDLXJUCMEABA-IRLXHUAMSA-N	410.926	6.017	30	20	HKED	
N#CCc1cccc(C(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)c1	730403947	DALDTDCHNRXFST-OAHLLOKOSA-N	416.168	5.115	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(C)n1[C@@H](C)c1ccccc1	730418341	URKSJQQOBJRIJH-MGPUTAFESA-N	417.509	5.953	30	20	HKED	
CCCCCCOCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	730919581	FRTXDQHFIRRMQD-HNNXBMFYSA-N	411.354	5.890	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@H]2c2ccccc2)ccc1OC	733654195	PUAOLQSFUMJZAQ-YADHBBJMSA-N	421.541	5.203	30	20	HKED	
CC(C)c1ccc(NC2=NN=C(c3cn(CCC#N)c4ccccc34)CS2)cc1	733806456	DDPWFNURRCJEHE-UHFFFAOYSA-N	401.539	5.597	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1	734240333	MPDMKZBBFGUHSC-YKSBVNFPSA-N	413.562	5.011	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccc(OCc4ccccc4)cc3)[nH]c12	735792064	GWVVJBMXIHUNTM-YTFSRNRJSA-N	421.500	5.430	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Cl)cs1)c1nc2cc(C(F)(F)F)ccc2s1	737323965	ZAQPCBSFIUJAAH-LBPRGKRZSA-N	414.861	5.839	30	20	HKED	
CCCOc1c(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cccc1OCC	741842640	AQJLJDWPEOCRIJ-SDNWHVSQSA-N	415.493	5.136	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CC2	741849071	RSLJWOVQFASNCJ-WJDWOHSUSA-N	422.481	5.188	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccccc2)n1C	741901739	ITSGCMFIMUSMBC-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	741902588	NUYARVGMZNKLMI-HRAATJIYSA-N	408.423	6.103	30	20	HKED	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1cc(C#N)ccc1C	742596331	VXXUTMAZKJUIRW-UHFFFAOYSA-N	415.877	5.128	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Sc1ccccc1	743092684	AJXNPJWNRWACOH-WZONZLPQSA-N	401.535	5.644	30	20	HKED	
CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C12CCCC2	743094852	CTFUTOLGIZJIIZ-RJGXRXQPSA-N	403.526	5.201	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	744030118	ZSTJOJZSKVZUKY-IURSYISVSA-N	422.406	5.609	30	20	HKED	
CCCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	744030448	CFQIXYMCTAFCAT-NRFANRHFSA-N	404.535	5.716	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Oc3ccccc3)ccn2)cc1	745947980	QUWMRKZISBTNMD-QFIPXVFZSA-N	413.477	5.178	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746439891	RLJZGUGFLIYCQY-MEDUHNTESA-N	417.305	5.191	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)ns2)cc1	747203677	CVWXRZHVLAYUDT-DNVCBOLYSA-N	403.507	5.285	30	20	HKED	
Cc1nc(Cl)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	748520551	HERSNQVNOGVWKU-HNNXBMFYSA-N	402.306	5.666	30	20	HKED	
Fc1cc(CON=Cc2cccc(OCc3ccncc3)c2)ccc1Br	748781565	VCOBRVPRPKBEGS-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccsc1	749103790	CBXISWMTUIPVDN-DAXSKMNVSA-N	402.302	6.203	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COC(C)(C)CC)c2C)c1	750626624	QKLJSNNGRPEJLH-OAQYLSRUSA-N	423.557	5.703	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)nc12	750725338	SQIMXNSIHBXQCR-BQLWYNFJSA-N	402.454	5.024	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1ccc(F)cc1OCC#N	761669621	XGIALFGKQPGXNR-HNNXBMFYSA-N	424.501	5.385	30	20	HKED	
Cc1sc2ncn(N=Cc3csc(Cl)c3Cl)c(=O)c2c1-c1ccccc1	761748177	BFESVKPETGIADM-UHFFFAOYSA-N	420.346	5.684	30	20	HKED	
N#CCCSc1ccccc1NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F	762205832	BBTVEDCCQHGVBM-NTCAYCPXSA-N	410.848	5.930	30	20	HKED	
C=CCC[C@@H](C(=O)OC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1	764144307	AWAMEWBBWZUDNB-JOCHJYFZSA-N	411.929	5.238	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1ccccc1C(F)(F)F	764306805	YCEIHRJHGCQNKH-JTQLQIEISA-N	411.767	5.271	30	20	HKED	
C#CC[C@@H](NC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1)c1ccccc1	772034937	SZVHKUKLRGLXMB-GOSISDBHSA-N	407.564	5.012	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	774318593	WBOJPXWTKQLJNI-QGZVFWFLSA-N	414.795	5.097	30	20	HKED	
Fc1ccc(CON=Cc2cccc(OCc3ccccn3)c2)c(Br)c1	780287900	PTMQGGAFNGZUES-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
FC(F)Sc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1	781586646	WGOIAKZJFRRZAC-UHFFFAOYSA-N	410.902	5.421	30	20	HKED	
N#Cc1ccc(COC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(Cl)c1	784200133	NHWJQXUBXSNAOH-UHFFFAOYSA-N	401.249	5.196	30	20	HKED	
C[C@@H](c1cccs1)N1C(=O)/C(=C\c2ccc(C#N)cc2C(F)(F)F)SC1=S	811624631	LOSUBVGMMVPVBH-CYANDVJASA-N	424.494	5.601	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813214134	PMUCDOMEGPBGBQ-SFHVURJKSA-N	402.416	5.138	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1	813218133	MHEGUPBQRRYHDI-XHDPSFHLSA-N	400.322	5.489	30	20	HKED	
COc1ccc(-c2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c(F)c2)cc1	817319355	NFLZLJWGSSAEQZ-DEOSSOPVSA-N	402.469	5.666	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc(Br)o3)n2)cc1	916627357	OMVNQWMMZDBGFW-DDJMYBDESA-N	413.296	5.364	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)c1	916897211	KYKDMZGUUMXBJL-FQEVSTJZSA-N	421.547	5.013	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1	917145162	SPKRAPGPMWJBNL-KHPPLWFESA-N	410.470	5.343	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(C(C)C)cc2)cs1	917558984	BREANNKGPCVFTJ-JLHYYAGUSA-N	408.498	5.986	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccc3ccccc3n2)cc1	917803042	FCQVJPZERJUELR-DTQAZKPQSA-N	419.484	5.532	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1C	920927623	FIAWQOMBGCBJEE-SEYXRHQNSA-N	407.901	5.322	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Sc4ccccc4)CCC3)cc2)C1	1785804880	VTXNMARTUCVABY-SFHVURJKSA-N	420.578	5.268	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1	5406689	BDALQFXMOLGBJW-HNNXBMFYSA-N	406.869	5.293	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccc(Cl)cc1	12477341	JCMQATWDFRFFFX-UHFFFAOYSA-N	422.941	6.040	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2cccc(C)c2)cc1	22731009	TUBIAVMONOZIAX-UHFFFAOYSA-O	419.570	5.295	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1CSc1nc2ccccc2o1	25120040	YWAQFTVKFGDIRQ-UHFFFAOYSA-N	413.502	5.264	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccc(SC2CCCC2)cc1)c1ccccc1	110943249	NDQNXCDSHKAJOP-UHFFFAOYSA-N	421.566	5.387	30	20	HKED	
C=CCn1c(SCc2nc3cc(Cl)ccc3n2C)nnc1-c1ccccc1F	195677193	XOJMPOVXZQXVMA-UHFFFAOYSA-N	413.909	5.103	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	426229944	JEXXCBKSMZSBAM-YMTOWFKASA-N	405.392	5.118	30	20	HKED	
CCN(CCC#N)C(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	428871850	KHERMMCQUNDNRF-UHFFFAOYSA-N	407.493	5.499	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2cccc(C)c2C1	429733459	CXLUMMPCODOZCJ-UHFFFAOYSA-N	411.505	5.344	30	20	HKED	
COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1OCC(F)(F)F	429963679	FCOVNSGLCBWBPY-UHFFFAOYSA-N	411.273	5.047	30	20	HKED	
CN(Cc1cccc(N(C)C)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	431881583	ZNZYITWPUBCVJW-UHFFFAOYSA-N	400.482	5.080	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(C(F)(F)F)ccc2Br)s1	432651699	JFJASTIGIXJIPA-UHFFFAOYSA-N	403.223	5.216	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)n1	432837588	UXKXTTCKFZVTNL-HXUWFJFHSA-N	403.486	5.417	30	20	HKED	
N#CCCC[C@@H](NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1ccccc1	433019527	KCYRHYMCQGWZMF-ZJSXRUAMSA-N	421.541	5.118	30	20	HKED	
CC1(C)C[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cc([N+](=O)[O-])ccc21	433079856	ZBXYDQGFXFSTCN-NRFANRHFSA-N	418.497	5.012	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1Cl	434147191	CQEHYCOVCIWTHS-KBXCAEBGSA-N	421.850	5.802	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	434617228	SHVLRXBSYDLYAX-OALUTQOASA-N	424.909	5.121	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1C#N	435555009	VRBVGTWTXUMAQJ-JOCHJYFZSA-N	420.900	5.305	30	20	HKED	
N#Cc1ccnc(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)c1	436013179	LZCKWZQHGTUMFO-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)CC2)cc1	440736335	YIKWEQUPWLIOGR-UHFFFAOYSA-N	414.402	5.064	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cccc4ccsc34)cc2)cc1	442236128	SRJDOCQVXXGCIX-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1ccsc1)c1nc(-c2c(F)cccc2F)cs1	444455934	ATRITEOJJJIAJD-LLVKDONJSA-N	412.446	5.030	30	20	HKED	
Cc1cnc([C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C2CC2)s1	460319170	NKRQSRSPDSPMBX-HXUWFJFHSA-N	407.470	5.136	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)cc1	460673406	FOYKTXQMIUKKLZ-UHFFFAOYSA-N	417.431	5.073	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)c2ccccc21	467795598	CTGOCJNVOLWRID-UHFFFAOYSA-N	414.484	5.154	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2cn(-c3ccccc3)nn2)cc1	471670631	UFYIHEBDMFSAKN-QGZVFWFLSA-N	411.465	5.113	30	20	HKED	
COc1ccc(F)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1OC	472799961	QVTOAXCGACAWMO-KRWDZBQOSA-N	424.859	5.404	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1	474745169	ARDDISXKAOCUDG-UHFFFAOYSA-N	415.459	5.918	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccccc1	476704411	SLOIMWOUQKLLRH-UYAOXDASSA-N	419.525	5.530	30	20	HKED	
COc1cc(C#N)cc(Br)c1OCc1ncc(-c2cccc(Cl)c2)o1	479924673	BWUAJCUAQKRVTN-UHFFFAOYSA-N	419.662	5.217	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(F)c3)o2)nnc1-c1cccc(OC)c1	481392808	NRMPQKPGUQAFRK-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1	482536162	XMVGRWWAFDESIG-UHFFFAOYSA-N	418.921	5.214	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ccc(Br)cc1	482564546	ZEBKMRBQPVMYBA-UHFFFAOYSA-N	409.283	5.080	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1COc2ccc(Cl)cc21	485788303	PISAVGWUNNIUSW-OAQYLSRUSA-N	418.880	5.214	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1	486248127	CIELLMQBVGYMFD-UHFFFAOYSA-N	414.958	5.497	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1	487860191	UHCXSUURBCJRMT-RTBURBONSA-N	421.566	5.189	30	20	HKED	
C=CCC[C@H](C(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1	490284707	LQPNIUQUVJMLGH-FQEVSTJZSA-N	405.567	5.131	30	20	HKED	
CSc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1	496518348	PJILUNVDZKFWMY-ZDUSSCGKSA-N	420.346	5.724	30	20	HKED	
CCCn1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C1CC1	498186704	VHYZMGZDAXAGGJ-UHFFFAOYSA-N	414.509	5.068	30	20	HKED	
Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	499726754	QTLQEUJDRWOQNT-HNNXBMFYSA-N	410.930	5.481	30	20	HKED	
Cc1nc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)sc1SCC#N	504802382	SZSLVYVLXFXAKR-UHFFFAOYSA-N	414.581	5.566	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ncc(-c4ccccc4)s3)n2)cc1	505468407	UDRZQOJHESRWPJ-QGZVFWFLSA-N	416.531	5.488	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1c(Cl)cccc1Cl	505508268	WNVFVSAMWSWISM-MRXNPFEDSA-N	402.306	5.040	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)oc2ccc(Br)cc12	513686781	FYKHQQZUQSLUMI-ZDUSSCGKSA-N	411.280	5.604	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc2cc(Cl)ccc2s1	515539274	QACUIBMMVSCYDR-LBPRGKRZSA-N	413.289	5.483	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1	515876118	LLOZTVYKCCYEAT-UHFFFAOYSA-N	424.331	5.796	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1	517795636	ITKZQMQZISPRCB-HXUWFJFHSA-N	421.378	5.041	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c1C#N	518016943	UNTYJARFORHTQC-UHFFFAOYSA-N	405.310	5.235	30	20	HKED	
CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518668453	CRGOFICEMLEUPS-UHFFFAOYSA-N	408.445	5.291	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc(-c2cccs2)no1	519431835	RLFXQLIIYBTVTD-NSHDSACASA-N	424.473	5.996	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	521220296	MFBAEYJNHJKVFO-OAQYLSRUSA-N	414.534	5.014	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	521314966	AWVSVDDSMQYIGC-UHFFFAOYSA-N	402.498	5.001	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3coc(-c4cccs4)n3)c2)c1	521571168	JVWPMGWUXCTJMR-UHFFFAOYSA-N	415.474	5.035	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	521714246	LIIPDBYPAYLRQJ-OAQYLSRUSA-N	410.832	5.118	30	20	HKED	
Cc1cc(C)n(-c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)n1	521823963	VXRQXTDMHLZBBN-UHFFFAOYSA-N	401.514	5.051	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)cc1	524023170	QONZNUKUBHALRC-UHFFFAOYSA-N	409.898	5.271	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	524492842	NLKMCYFTICTLRW-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
COC[C@@H](N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	540162977	IRXDWNXEGTZCFB-DLBZAZTESA-N	409.345	5.815	30	20	HKED	
O[C@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)Cc1ccccc1C(F)(F)F	540377226	LGVPDKJCAXRKJB-DOTOQJQBSA-N	409.345	5.031	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(Cc4ccccc4)c3)n2)cc1	541017028	PVGZSFBUWPHLBV-OAQYLSRUSA-N	413.502	5.159	30	20	HKED	
CCCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccccc1	543141370	AQJWSOHJIHOPAY-KRWDZBQOSA-N	404.539	5.329	30	20	HKED	
N#Cc1cc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cnc1C(F)(F)F	549549872	CNXMCGFYOFSCQV-HXUWFJFHSA-N	421.378	5.238	30	20	HKED	
N#CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cccs2)CC1	549568873	JMRFVIAHPXDTRL-UHFFFAOYSA-N	418.353	5.102	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCc2ccc(C#N)cc21	555863791	KXAMPUPNPVWMJS-UHFFFAOYSA-N	403.485	5.214	30	20	HKED	
CCN(Cc1cccc(F)c1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	557397557	UXNYOXKWRGDJCI-UHFFFAOYSA-N	413.924	5.006	30	20	HKED	
N#Cc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c(C(F)(F)F)c1	566649507	JLSTWIHAYVSYOF-NRFANRHFSA-N	415.846	5.699	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)C2CC2)cc1	568968523	HLHUXYNASGBLPR-JOCHJYFZSA-N	421.953	5.737	30	20	HKED	
COc1cc(OC)c2ncc(C#N)c(N[C@H](C)c3nc4ccccc4n3C(F)F)c2c1	571072904	MYLLVONBSBFIJH-GFCCVEGCSA-N	423.423	5.042	30	20	HKED	
Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(Cl)cc3-c3ccccc3)CC2)o1	572142092	QOVZJTGHWMPSMK-UHFFFAOYSA-N	420.900	5.030	30	20	HKED	
N#Cc1ccc(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1Cl	573638998	TYYPHQUHLXJUEJ-UHFFFAOYSA-N	408.807	5.130	30	20	HKED	
C=CCCc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1	576249981	HZMOYCBZLVIZIV-UHFFFAOYSA-N	403.448	5.074	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)c(C)c1	584756631	ZAJYITNEIYAVRO-UHFFFAOYSA-N	416.546	5.433	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)sc2c1	592974304	QGZMITYOPZCAEF-GFCCVEGCSA-N	400.887	6.102	30	20	HKED	
COc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)c2c[nH]c3ccccc23)cc1	603650920	NKQYNXKTXQFIPQ-HSZRJFAPSA-N	424.504	5.196	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cn2)cc1	603765636	YAZPTLUBDBPUHV-UHFFFAOYSA-N	405.457	5.516	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3CCc3ccccc3)cn2)c1	603829206	NWSYBTDVMUAYHX-JOCHJYFZSA-N	412.493	5.375	30	20	HKED	
C=CCCCN(C)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12	606202642	HIOHUBWYIDFYDI-UHFFFAOYSA-N	403.404	5.255	30	20	HKED	
CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	607834959	WRRCCUHJPJSGQZ-UHFFFAOYSA-N	405.479	5.288	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	608916266	USBYQTJCBDWKCI-UHFFFAOYSA-N	410.477	5.665	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)C1CC1	609078105	BXJYENWVWODPBM-VWLOTQADSA-N	411.505	5.719	30	20	HKED	
COc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1C	609078625	DBGKVTYSHHVHDE-UHFFFAOYSA-N	415.493	5.084	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(Cc2ccccc2)n1	609377335	TUNUSNOXGSBVSK-INIZCTEOSA-N	407.564	5.167	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](CC(F)(F)F)c1ccccc1	609398730	MSRMUWQWENIZRE-RHSMWYFYSA-N	407.461	5.754	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)cc2)c1	609434015	XNKHORZKTRMLFW-UHFFFAOYSA-N	423.472	6.178	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1	609508822	BOEGCOBVGQVGKW-MQSUGXTHSA-N	410.517	5.321	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)oc1C	609642738	HOEMRXWBEXPVOI-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
COc1c(Cl)cccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609725085	CQDCKKMOTWKLSJ-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609909718	RNPSGQVMUNNJDN-AVRDEDQJSA-N	414.480	5.702	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1cccc(Br)c1	610756738	FOCGZGQXSXOTNE-HNNXBMFYSA-N	417.372	5.805	30	20	HKED	
C[C@@H]1COCCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	610949223	QYLCKVKUHZBHCB-CQSZACIVSA-N	419.403	5.012	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CC3CCC(C(F)(F)F)CC3)cn2)cc1	611944162	HKYZFNMSDASAET-UHFFFAOYSA-N	403.404	5.443	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(Cl)ccc2o1)c1nc(-c2ccc(Cl)cc2)cs1	613320052	QWHSPPXXBFIZGR-OAHLLOKOSA-N	413.285	6.353	30	20	HKED	
C=CCCOCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	620326447	YLLGAHXEGHAIRR-UHFFFAOYSA-N	407.322	5.861	30	20	HKED	
FC(F)(F)c1ccccc1OCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	622818329	MGRAWEMFRBOLEL-QWRGUYRKSA-N	409.292	5.147	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cnn(C)c1C(F)F)c1ccc(C(F)(F)F)cc1	677624928	MGFLQSCHQOUJBA-ZDUSSCGKSA-N	402.367	5.206	30	20	HKED	
Fc1cccc(Br)c1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678514386	ANIJIHUVGAMVQR-DTORHVGOSA-N	408.155	5.151	30	20	HKED	
C#Cc1cccc(N(C(=O)c2nn(CCCCCC)c(=O)c3ccccc23)C(C)C)c1	728248342	QWHYEDMIWYKOIZ-UHFFFAOYSA-N	415.537	5.013	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c(F)c1	729877613	MOEUJCYAHKFYPC-CQSZACIVSA-N	424.328	5.305	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Oc3cccc(Oc4ccccn4)c3)cc2)nc1	732495168	SQGSWBOZEOOPAQ-UHFFFAOYSA-N	409.401	5.152	30	20	HKED	
N#C[C@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1c(Cl)cccc1Cl	733259544	YWZBYURUKVQODU-GIFJBRJJSA-N	416.695	5.589	30	20	HKED	
COC(=O)[C@@H](N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1)c1ccc(C#N)cc1	739993436	BZSJVCMTGOWVBJ-DFBJGRDBSA-N	414.505	5.011	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(Cl)ccc2Br)S1	742429076	GQFJKQLQPUWBAC-OQLLNIDSSA-N	421.747	5.611	30	20	HKED	
O=C(/C=C/c1cc(Cl)ccc1OC1CCCC1)c1ccc(C(F)(F)F)nc1O	742432687	DHSBZDAQIDTKRC-VMPITWQZSA-N	411.807	5.677	30	20	HKED	
Cc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N(C)C)cc1	743294618	QRQBEQIWWHJXPE-DQEYMECFSA-N	412.537	5.075	30	20	HKED	
CCCCCCNC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	743449329	MVWBAPDYFXTKDK-AWEZNQCLSA-N	424.353	5.136	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c1	744073845	HCCQNXREFKSYMM-MRXNPFEDSA-N	416.880	5.003	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1nc(C(C)C)cs1	747192807	AWVXTRONSPGUNH-CYBMUJFWSA-N	409.374	5.306	30	20	HKED	
C=CCN(C(=O)/C=C/c1cnn(C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	747544701	WPJBZGMCBRKFQX-QPJJXVBHSA-N	419.337	5.083	30	20	HKED	
CC(=O)Nc1cc(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F	747788470	PGXINKLMCYFLAR-OAHLLOKOSA-N	423.284	5.263	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)[C@@H](C)C2)cc1C	747972395	YVSPEVVQGOMBDJ-PXNSSMCTSA-N	422.598	5.298	30	20	HKED	
C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1ncc(-c2ccc(Cl)cc2)o1	751681017	KHRMGMOQIBOZFQ-CQSZACIVSA-N	412.898	5.404	30	20	HKED	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	758534758	CTMQMZJMVZVQJX-WAIKUNEKSA-N	417.459	5.771	30	20	HKED	
CCCCOc1ccc(C=NOCc2sc(C)nc2C(F)(F)F)cc1OC	758998783	XTXPDDWZSOSBGH-UHFFFAOYSA-N	402.438	5.209	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)C1CCC(C)CC1	764759801	SSVJTXWYFREZHY-BOXZVXIZSA-N	411.571	5.304	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1	764779198	OYSCBLYKMURZSS-IERDGZPVSA-N	416.352	5.645	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccc(F)cc3)s2)ccc1OC	772977903	CVWOYFKQUXIHRY-OXQOHEQNSA-N	424.541	6.095	30	20	HKED	
C=CCC[C@@H](NCc1cn(Cc2ccccc2)nn1)c1ccc(C(F)(F)F)cc1	775656262	ZPRUMAIESPCPAP-OAQYLSRUSA-N	400.448	5.142	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	777116733	HQGZWIBGKUSDSA-HSZRJFAPSA-N	417.578	5.285	30	20	HKED	
CC[C@@H](C)Oc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccn1	777565125	IXAJMZUCBFHGKC-JPYJTQIMSA-N	414.509	5.236	30	20	HKED	
Cc1cccc(-c2nnc(COC(=O)c3ccccc3Oc3ccccc3C#N)o2)c1	777982167	MRQUUMYXMAOPQN-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(Cl)cc(C(F)(F)F)c1	778606756	ORTQSSWDXAFRTI-QGZVFWFLSA-N	416.786	5.473	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1	780669522	HHBWNDQXLOEUKN-VLIAUNLRSA-N	411.914	5.603	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCCN1c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	786322696	LCBWFYPKWJCEIC-WBVHZDCISA-N	415.440	5.160	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1	793648997	IYZBKPTWELZLTM-VQTJNVASSA-N	412.965	5.252	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	794223172	WCEMMDAPPPUTKW-CTNGQTDRSA-N	417.534	5.253	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2cccc(C)c2)c2cccc(F)c2)ccc1OC	800975043	VQYXCTQQZXBFLD-ZEQKJWHPSA-N	418.512	5.703	30	20	HKED	
C#C[C@H](NC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1F	805777034	YYNCLJSJFQSYAI-STQMWFEESA-N	419.831	5.079	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	805865226	WHOVHJVJSADVSG-KSFYIVLOSA-N	422.513	5.285	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1	806401559	SNVNRUKHWYESDY-HNNXBMFYSA-N	417.431	5.440	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CC(C)(C)O2	810176672	ZRFHRWAKFRMVFO-HXUWFJFHSA-N	407.514	5.297	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2SCc2ccccc2)cnc1C(F)(F)F	814822909	JCZDVJWPYIKACV-UHFFFAOYSA-N	413.424	5.517	30	20	HKED	
CC(C)(C(=O)OC[C@@H](C#N)Cc1cccs1)c1csc(-c2ccccc2F)n1	816000387	KOSZTOVXVZPJRK-CQSZACIVSA-N	414.527	5.214	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1	914519946	CVVLFATWHHPHQU-JYRVWZFOSA-N	415.424	5.161	30	20	HKED	
FC(F)(F)c1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc1Cl	914786093	MHGLGWXZAOKTNJ-RNFRBKRXSA-N	414.699	6.075	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OCC	915087502	UITIBXNGSGWNEZ-JOCHJYFZSA-N	400.478	5.392	30	20	HKED	
N#CCOc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCCC2)c1	916409821	PNLDIBHPCNNFJZ-UHFFFAOYSA-N	413.315	5.192	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2ccccc2s1	916904438	CVLMCBQMTOTONZ-SFHVURJKSA-N	412.470	5.655	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997129	RMFSZXQXYILVBD-KKTNHOPESA-N	417.292	6.146	30	20	HKED	
COc1ccc(CCCN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	918548051	JAOLBMYTXKRKHC-RUZDIDTESA-N	413.521	5.447	30	20	HKED	
C[C@@H](COc1cccc(F)c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	918548253	QYORLOUWRLQAHQ-GAJHUEQPSA-N	403.457	5.070	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N	919772150	RWYATZXPOZBITG-AWEZNQCLSA-N	416.506	5.173	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2)cc1	920101532	CSOXSBAUGUYJKS-OAQYLSRUSA-N	412.420	5.613	30	20	HKED	
CC(C)Oc1cccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	921131352	IZURWDAMUHKAAB-IBGZPJMESA-N	410.926	5.670	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1	1785911985	JLGWSKRIVWIYQC-UHFFFAOYSA-N	404.501	5.158	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1cccc(C)c1C	10167980	AMAGXVUULPACQQ-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1cccc(C)c1	10174322	BTPOJPMSESVTSC-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1	21841102	SCEMIWRPBMXFOE-UHFFFAOYSA-N	424.472	5.747	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CSCc3ccc(F)cc3)c2)c1	32288590	WOEABENYWUBZCJ-UHFFFAOYSA-N	406.482	5.148	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSc1ccc(Cl)cc1	46879873	PPEXPMTULGPVEC-UHFFFAOYSA-N	423.925	5.828	30	20	HKED	
Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	55823861	WQUCLVCSLAKBSQ-UHFFFAOYSA-N	409.489	5.303	30	20	HKED	
CCOc1cc(/C=C\C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC	98006454	MRTDMRBGWSSYOA-HMWXGYMHSA-N	412.917	5.242	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1	147825188	ZXKVAPFCMADQRE-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(C2CCCCC2)no1	237598153	JPIILLNHPJTRLN-SFHVURJKSA-N	416.525	5.419	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCOC4(CCCCC4)C3)c2)cc1	426108213	GARSRJANNPGLSJ-HXUWFJFHSA-N	405.498	5.354	30	20	HKED	
Cc1cc(Br)c2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2	429179404	GTEMRYOSRZCWIY-UHFFFAOYSA-N	412.331	5.149	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(SCC#N)c1	430695698	UEUIWFYMRXAELL-UHFFFAOYSA-N	421.469	5.579	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)cs1	431782164	NQJOZZMDRPXOQX-HTAPYJJXSA-N	418.566	5.914	30	20	HKED	
N#CCCC[C@@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccccc1	433016796	URSVHULBRXBSSY-OAHLLOKOSA-N	417.332	5.085	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	436343016	MWJHQIYZJNQEOZ-IFMALSPDSA-N	417.896	5.439	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4ccc(Cl)cc4n3)n2)cc1	437350451	CIKKXDQRHCZAQG-QGZVFWFLSA-N	419.893	5.510	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)N(CCC#N)c1ccccc1	439599271	UGMVZDLSHWZRLM-LJQANCHMSA-N	410.477	5.098	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@]2(CCCOC2)C1)c1ccc(C(F)(F)F)cc1	441539631	ZEKLQIWOBXZREW-PZJWPPBQSA-N	410.480	5.315	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnn(-c2ccncc2)c1C(F)F	447370382	AMUSGGKIIMFRJC-UHFFFAOYSA-N	421.432	5.057	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1	461357216	BCPRLEJOFNKUEH-UHFFFAOYSA-N	422.916	5.431	30	20	HKED	
CCN(C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccc(C#N)cc1	461531864	IMUFNNYCMWJZOM-UHFFFAOYSA-N	416.868	5.324	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464412376	RUJKZLGOZCOVAH-LBPRGKRZSA-N	423.366	5.301	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nnc(-c2c(Cl)cccc2Cl)o1	464821012	GECLFRJXGXXWMA-QAPCUYQASA-N	413.308	5.315	30	20	HKED	
CCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1	466591983	CIUCFQBKCCATAV-HNNXBMFYSA-N	420.435	5.398	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(CCC(F)(F)F)CC(F)(F)F	468544669	VXYCWMWAFBTFDJ-SNVBAGLBSA-N	409.292	5.227	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3c(Cl)cccc3N3CCCC3)ccc21	468835244	FAKJYLREJHFONF-UHFFFAOYSA-N	422.960	5.135	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2c2ncc(-c3ccc(F)cc3)[nH]2)cc1	469515164	ICLARWCQJLKOIO-OAQYLSRUSA-N	417.488	5.386	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1	469676468	DAXSFQUXDDNOCV-CABCVRRESA-N	401.482	5.380	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)n1	470092320	FMMAFPZBOJJVEK-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C	471284954	BCXKEQSDRWMRDL-KXBFYZLASA-N	417.431	5.250	30	20	HKED	
COc1ccc(-c2csc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)cc1	473611724	QTVSNTIPASMVIO-UHFFFAOYSA-N	405.523	5.547	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Br	473647562	KODOADOSEAWWNV-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3OCC(F)F)cc2)cc1	475407094	MPTBGDIZKPWJEX-UHFFFAOYSA-N	408.404	5.441	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482372736	WHSQCARDOHNFSV-HNNXBMFYSA-N	419.325	5.027	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	482430209	GWCPDUFASFOWSM-OAHLLOKOSA-N	420.403	5.351	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(Br)cc1	482510515	RBVOZRYVRBELJK-CQSZACIVSA-N	403.345	5.272	30	20	HKED	
CCOc1ccc(-c2nc(CC)c(C(=O)[C@H](C#N)c3nc4ccccc4o3)s2)cc1	483476229	HPAOWHUQEOWEET-INIZCTEOSA-N	417.490	5.402	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	487395066	PHXCMIUCMZQRTG-IBGZPJMESA-N	404.489	5.056	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccccn1	488908837	LGIJYIUTWSEQMW-SJORKVTESA-N	421.570	5.159	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCc2ccnc(Oc3ccccc3F)c2)CC1	494531853	RWYSQPZUTCRFDC-UHFFFAOYSA-N	401.485	5.507	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)c1	497651174	JEMANWVNUJFZHG-UHFFFAOYSA-N	411.461	5.290	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1Cl	505641710	WVTISDCVPVYFTP-CYBMUJFWSA-N	408.335	5.102	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1Cl	505689817	JSYIUQKKMQJXJU-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
N#C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1	505975924	IMBMNNIRLUYBNR-HOTGVXAUSA-N	400.322	5.122	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1-c1ccnn1C	507262350	JEVPBDTVWRXKRH-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCO[C@@H](c2ccsc2)C1	508791636	BSRWNVWUFMWIEY-QGZVFWFLSA-N	421.353	5.077	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510006539	PWEWXWXTFOLCJB-NRFANRHFSA-N	407.876	5.798	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cnc(-c3ccncc3)s2)cc1	510422208	RCIXXEKAWGOOFR-UHFFFAOYSA-N	414.509	5.418	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1cccc2cccnc12	510507617	IMROOPLLMUUEHU-UHFFFAOYSA-N	422.488	5.571	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)CC2)cc1	511568533	VJHPSLNLYINGFF-HXUWFJFHSA-N	417.406	5.190	30	20	HKED	
CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	511728443	GGLQOZHWYZJAPJ-FQEVSTJZSA-N	417.534	5.172	30	20	HKED	
Cc1ccccc1COc1ccccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	513187296	XRWWJCVSSQOBNQ-IBGZPJMESA-N	410.395	5.478	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc3ccccc3n2)cc1	515098542	YLSVKGISEBEDEN-UHFFFAOYSA-N	409.514	5.329	30	20	HKED	
COCc1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1	515542956	ACECVUDJOXZPOY-BSFBHTCNSA-N	406.551	5.247	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(CC#N)cc1	516079446	ITEHLWDGVCXFFZ-UHFFFAOYSA-N	419.504	5.159	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1	517103794	ILHKRUXHFXCODE-UHFFFAOYSA-N	407.420	5.394	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	517108641	GNAMNORCAMXLTR-SFHVURJKSA-N	411.575	5.326	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2	518660127	LBJZXICPBDPUPK-OAHLLOKOSA-N	420.513	5.004	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1	518676753	PNOALOPYXDNSFM-JOCHJYFZSA-N	423.582	5.268	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3cccs3)cs2)c1	523229184	XMUOBTDNARIDCD-UHFFFAOYSA-N	407.476	5.168	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523421005	KWMUGVGGNAMVBI-DEOSSOPVSA-N	414.509	5.342	30	20	HKED	
Cc1ccc(CN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]2CCc3ccccc32)cc1	523907905	QWEWBORZSPFFBQ-FNZWTVRRSA-N	409.533	5.827	30	20	HKED	
Cc1ccc(CN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H]2CCc3ccccc32)cc1	523907908	QWEWBORZSPFFBQ-RXFWQSSRSA-N	409.533	5.827	30	20	HKED	
CC(C)n1c(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc21	524054136	BSMXASVEKCRAEW-UHFFFAOYSA-N	424.504	5.406	30	20	HKED	
CN(C)CCCN(CCC#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1	525068210	CWIMJGWEGAQPQW-UHFFFAOYSA-N	420.340	5.093	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)N(CCC#N)Cc3ccco3)cn2)cc1	525483432	RFQXKOGHOXAVMZ-UHFFFAOYSA-N	403.482	5.320	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c(C)c2c1	531440911	CTVFXRXKHIKLGF-PKTZIBPZSA-N	414.505	5.175	30	20	HKED	
N#C[C@H](C(=O)c1cccc2ncccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	539463323	CKTFUHRMRADOSO-MRXNPFEDSA-N	424.312	6.155	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)Nc1cc(C#N)cn1C(C)(C)C	554865381	OKILSJSZBALGCS-UHFFFAOYSA-N	422.554	5.419	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1	558533228	SCRYZJRMRZZAAS-GOSISDBHSA-N	422.834	5.223	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3cccc(C[S@](=O)C4CCCCC4)c3)CC2)cc1	560551437	AIJYYVMOLIILMS-PMERELPUSA-N	421.610	5.221	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(CC(F)(F)F)cs1	561718811	NDPBESBVBAZXHJ-UHFFFAOYSA-N	410.339	5.084	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2nccc(C)c2c1	563513052	QGDVORGTMISLJE-UHFFFAOYSA-N	408.461	5.471	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)N1CCCCO1	564474059	XBWUSFSCAKKXME-NSHDSACASA-N	424.263	5.065	30	20	HKED	
CN(Cc1cc(Cl)ccc1F)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	573049160	HVMAJCWZPKAAFY-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1	575466481	CKIMOKQNQBUMHV-UHFFFAOYSA-N	420.472	5.333	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2	575503772	CYFMGASVBISMAA-DKERFCRFSA-N	401.554	5.124	30	20	HKED	
O=C(Nc1cc(F)ccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	590339085	NUYZXQGMQKDQSN-MBTKJCJQSA-N	406.729	5.510	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(-n2cccc2)c(F)c1	591129288	GCEUATOJLWQTTH-STQMWFEESA-N	422.344	5.256	30	20	HKED	
C[C@@H](NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)c1ccc(C#N)cc1	603670388	HHJPFNVKAHBHBI-CQSZACIVSA-N	402.498	5.051	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1Cl	603758953	PZRARYRVSHFPPH-HNNXBMFYSA-N	418.777	5.804	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1C(F)(F)F	604419163	YMYMQRLMBSXHLU-QGZVFWFLSA-N	410.439	6.007	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C(C)C)s1	604455280	FHRHGFVCLCSBTO-UHFFFAOYSA-N	410.568	5.418	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1c(F)cccc1F	604699463	SWRGPFAMXOCYJB-YBXAARCKSA-N	415.324	5.094	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1cc(F)ccc1F	607464182	PRAPHGBJPLOUNB-ZKKPSOLOSA-N	415.324	5.094	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl	609378810	SLOXIPPQYKVXGQ-UHFFFAOYSA-N	407.347	6.466	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1N1CCCC1	609398788	RVJLMNNBNBNVNC-SFHVURJKSA-N	408.571	5.202	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)C1CCC(C)CC1	609576583	QNWKWDYTPADMRP-WHJRKYDLSA-N	420.601	5.338	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	609585175	WZNNSHXPTCTXNP-DLBZAZTESA-N	423.582	5.135	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1cc(Cl)cs1	609907439	WKZCADHEXCZFMG-UHFFFAOYSA-N	410.926	5.732	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	610142714	LDDVYSXOOLKLLY-VQTJNVASSA-N	422.598	5.067	30	20	HKED	
COc1ccccc1-n1c(SCCC(C)(C)C#N)nc2cc(Cl)ccc2c1=O	610166772	BOUVZFGMNZTYMU-UHFFFAOYSA-N	413.930	5.080	30	20	HKED	
Cc1c(C#N)c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nc2c1CCC2	610167421	QXMOJPZZPMUPGO-ZDUSSCGKSA-N	410.930	5.231	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	610632022	NAHUYUJDHLVELI-ROUUACIJSA-N	423.385	5.644	30	20	HKED	
Cn1cc(CNc2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccc(C#N)cc2)n1	611491330	LFTIZNKOEYHHHE-UHFFFAOYSA-N	413.428	5.199	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)s2)o1	613407129	JNYBLVMDNDGBKB-GFCCVEGCSA-N	413.911	5.773	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(O)cc1	642720198	TVXMDRMOTGBLLM-LAUBAEHRSA-N	422.504	5.180	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCc1cccc(C(F)(F)F)c1	672239696	NMONUKQBKYXDLL-UHFFFAOYSA-N	407.480	5.410	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nc2sccc2c1=O	677560885	AROVBNISPBMBGG-UHFFFAOYSA-N	415.927	5.245	30	20	HKED	
CC1(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CCC(F)(F)CC1	681498793	INOWTPQRIHZNCQ-LBPRGKRZSA-N	416.337	5.159	30	20	HKED	
COc1cccc2c1OCC(C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)=C2	726321507	IMPSVRZECNWFOT-KRWDZBQOSA-N	422.893	5.124	30	20	HKED	
CC[C@H](C)n1c(SCC(=O)O[C@@H](C)c2cccc(C#N)c2)nnc1-c1ccccc1	727636825	ZFQHINQKHDWLDM-IRXDYDNUSA-N	420.538	5.184	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cc(OC)c1O	727685465	OAKXUFHHRRXRTE-XGICHPGQSA-N	408.425	5.024	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccnc3SC(F)(F)F)c2)cc1	729375318	DSYHFALXVYYELZ-UHFFFAOYSA-N	415.396	5.610	30	20	HKED	
Cc1ccc(S[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)c2ccccc2)c(C)c1	730071364	KZEPBWHYSFKTEW-YADARESESA-N	412.514	6.155	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(Cl)cc1Br	733221109	YIHDCEWJTZIXHZ-LBPRGKRZSA-N	423.763	5.678	30	20	HKED	
C#CC[C@H](OC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12)c1ccccn1	733693284	WUXYRNIKIPSJTQ-VWLOTQADSA-N	424.500	5.479	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3ccc(C)c(C)c3C2=O)cs1	737444032	NELCJDMESAGOLM-YBEGLDIGSA-N	422.481	5.242	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]3c3ccc(F)cc3)c2)s1	740058742	AYLWGEZANOTICB-NRFANRHFSA-N	405.498	5.473	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C/c2c(Cl)ccc(Cl)c2Cl)cc1F	741847547	PENZBICOAQPVCR-ZZXKWVIFSA-N	407.677	5.086	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c1	743111733	YJAJCTASZUCQFE-CQSZACIVSA-N	424.328	5.305	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1	744037785	DBBHZGYOYXITEZ-YGRLFVJLSA-N	408.832	5.948	30	20	HKED	
CC[C@@H](Sc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1)c1ccc(Cl)cc1	747365417	PTVNATGHIKDJAU-GOSISDBHSA-N	411.914	5.626	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c1	747498130	CZJUESJAAKJULL-CBGDNZLLSA-N	413.949	5.355	30	20	HKED	
Cc1c(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cccc1C(=O)Nc1ccccc1	748148652	RJIQDCSXVGKXPH-UHFFFAOYSA-N	409.829	5.265	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)c2)cc1	754395543	NWTFVYOAYUZWCE-FCHUYYIVSA-N	417.534	5.092	30	20	HKED	
COc1ccc(/C=C(\C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F	755636284	VKLQHQJDLRZUEV-MXHVWWQHSA-N	417.465	5.109	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	768542434	IKIQXEMBTGXXJR-UHFFFAOYSA-N	410.461	5.635	30	20	HKED	
Cc1c([C@H](C)NCc2ccc(OCC#N)cc2)cnn1-c1ccc(Cl)cc1Cl	772957546	FWQSPNKCGSWVKC-AWEZNQCLSA-N	415.324	5.241	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](Cc2ccc(F)cc2)c2ccccc2)ccc1OC	774238220	UORVFLCCIRZRDY-RPWUZVMVSA-N	418.512	5.589	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2cc(Cl)ccc2OCC#N)cc1	775253570	WRSLBUSTZUOCOC-HSZRJFAPSA-N	424.903	5.464	30	20	HKED	
N#C[C@H]1C(CN[C@H](c2ccccc2)C2CCCCC2)=CC(=O)n2c1nc1ccccc12	776012477	ZMOIDDAORAXLHF-SQJMNOBHSA-N	410.521	5.135	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)CC(C)C)cc1	792525543	JEXVPLTYNQQCCU-UHFFFAOYSA-N	403.526	5.174	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1	801691369	MECAYPKQGIZGFX-IBGZPJMESA-N	409.379	5.364	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1	807467929	KJTRCQATYSXZBH-VWLOTQADSA-N	409.533	5.057	30	20	HKED	
C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2F)cc1OC	810203830	SPKHFIGHWAXEPT-VMPITWQZSA-N	421.262	5.066	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813214922	FMFCLWAQILWVMX-JOYOIKCWSA-N	419.255	5.764	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1c(Br)cccc1[N+](=O)[O-]	864005618	DMAFTYKSMFCNRW-GFCCVEGCSA-N	406.305	5.221	30	20	HKED	
O=C(CCc1ncc(-c2ccccc2Cl)o1)N(O)Cc1cccc2ccccc12	901370671	LKNIUUVPONRMPV-UHFFFAOYSA-N	406.869	5.499	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2coc(-c3cccc(F)c3)n2)cc1OC	914572360	SAHPVSHFJBTVRQ-UHFFFAOYSA-N	404.825	5.092	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(C2CC2)n(Cc2ccco2)c1=S	916567711	UNGNHDFUJZVCDX-UHFFFAOYSA-N	420.991	5.293	30	20	HKED	
N#C[C@H](C(=O)CCCc1cccs1)C(=O)Nc1ccccc1Oc1ccccc1	916904999	KSDUHGTVEQTNQO-LJQANCHMSA-N	404.491	5.211	30	20	HKED	
N#Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c3ccccc23)c(C(F)(F)F)c1	917845009	ISGNHBBWFNXEAG-UHFFFAOYSA-N	411.788	5.151	30	20	HKED	
CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	918566381	RMKZHKDKNGCTRQ-QFIPXVFZSA-N	412.493	5.124	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	920113976	WEIHEMDWWVGKFZ-RXVVDRJESA-N	402.519	5.505	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc(Cl)cc3)n2)cc1	920143466	WRUFPWWZMHAHQZ-SFHVURJKSA-N	423.950	5.694	30	20	HKED	
Cc1cc(C)cc(CCn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)c1	1289318263	GJNAVPVYAJPXNU-RUZDIDTESA-N	405.590	5.000	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4ccccc4)n3)CCC2)cc1	1791587306	NIJNVAIIDRLOKT-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822958911	YPHWOSSSWNFEFP-HZBPUNQASA-N	424.589	5.141	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCCCC(C)(C)C)CC2)C1	1831574070	GKMLZIJVUKAPSR-HSZRJFAPSA-N	416.650	5.569	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccccc1	4285661	DJRXJYSYLKGLST-CYBMUJFWSA-N	416.909	5.043	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccccc1)c1ccc2c(c1)CCC2	10832784	PIKYVKYZOLYQEI-UHFFFAOYSA-O	407.946	5.167	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1cccc(C)c1	26191764	SLHIICJVWGQFMM-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)COc1ccc(Cl)c2ccccc12	26783217	WEPVJJZQVTVQPQ-UHFFFAOYSA-N	402.233	5.011	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1	51133136	FYCKWMCCOOQULD-GBXCKJPGSA-N	410.583	5.003	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)cc(Br)c1)c1nc(-c2ccccc2)cs1	51534078	IQZRUKOTRMLIHZ-HNNXBMFYSA-N	401.260	5.202	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2cccc(F)c2)n1)c1nc(-c2ccc(Cl)cc2)cs1	63235842	DZLJCHCBODHDMB-KRWDZBQOSA-N	422.872	5.278	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	63641515	CTCLRLRPUIERBP-INIZCTEOSA-N	416.437	5.006	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc2ccccc2s1	66004897	FSUVIFWQRHUGKN-SECBINFHSA-N	401.925	5.625	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	303388608	XSGNPRBIFVAKRO-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
Cc1csc(C2(NC(=O)c3cccc(COc4ccccc4C#N)c3)CCCC2)n1	303605502	VTRPQHWKQFFQDE-UHFFFAOYSA-N	417.534	5.102	30	20	HKED	
CC[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1F	303748473	KTZNDIPWAXPOJG-QFIPXVFZSA-N	422.500	6.010	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	303939122	YMHVTURMXMXLOU-HUUCEWRRSA-N	406.473	5.917	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3ccc(Cl)cc3n2)c1	410416844	YFHKFMWKTPGAOU-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3ccc(F)c(F)c3C2)cc1	426067345	QUZDTZFJUGAJJA-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@H](CCCC#N)c1ccccc1	431473566	SZEHGPIXVRYTTR-OXJNMPFZSA-N	403.448	5.371	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCC2CCCC2)CC1	435133370	QPPHYVIMLYSQNA-QGZVFWFLSA-N	401.576	5.284	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C1(c2cccc(C#N)c2)CC1	435363446	MVTFKDSDAAIJNJ-UHFFFAOYSA-N	400.453	5.255	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Br)c(Cl)c1F	436003607	MQTIPDIRMVPJOJ-UHFFFAOYSA-N	410.714	6.346	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1	436354680	WIYKYNKHIVVVSN-MJGOQNOKSA-N	413.502	5.468	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	436410722	KVWDUZWSRSASHZ-MOPGFXCFSA-N	400.469	5.818	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437503188	WSDQCFVJMUAUMK-INIZCTEOSA-N	404.441	5.631	30	20	HKED	
CC1CCC(OC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)CC1	438643950	AEFSFHGKRPSJLA-UHFFFAOYSA-N	409.452	5.169	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cc(Cl)cc(Cl)c2C1	438644756	WUYRGYYIJPOHAJ-ZDUSSCGKSA-N	420.365	5.978	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c1	442286351	UNBFVVXUHOCQAR-UHFFFAOYSA-N	414.292	5.923	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	444025602	QMCDQOGSCJZMGD-HNNXBMFYSA-N	401.310	5.392	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](COC)C1	460370950	SHWFIQHORJSIJI-QGZVFWFLSA-N	421.010	5.053	30	20	HKED	
C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(C#N)c1	462036128	DVXMJMQOMPRSIR-INIZCTEOSA-N	415.880	5.405	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	464938611	MGUTYHPPIBTNKC-HBGVWJBISA-N	400.444	5.497	30	20	HKED	
CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)cc1	466622417	DJDZGWLOYSOUQL-HXUWFJFHSA-N	406.530	5.431	30	20	HKED	
CC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[C@H]1c1ccccc1	470022663	PKCQWRNCGQGFNU-HYBUGGRVSA-N	411.505	5.401	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(F)ccc3OC(F)F)c2)c1	470115469	ZAVYYQYHSVNUDX-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2	473270714	QTDBMYZGVKNVIR-UHFFFAOYSA-N	421.422	5.355	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(-c2cccnc2)cc1	475611005	IHXUCWJOPNZNJR-AWEZNQCLSA-N	408.408	5.104	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NCc1nnc(-c2cccc(C#N)c2)o1	477570872	BBZIZGAUIKUTBE-UHFFFAOYSA-N	419.282	5.445	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](c1ccccn1)c1ccccc1OC)c1ccc(F)c(F)c1	477757849	XHJNJKALADXZFT-XZOQPEGZSA-N	423.463	5.074	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	483349373	NKKNUXSCNBOXDV-UHFFFAOYSA-N	411.221	5.521	30	20	HKED	
Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)C[C@H](CC#N)c2ccccc2)n1	484275511	MCBFGXZGILZWHP-HNNXBMFYSA-N	414.387	5.090	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2C)cc1	487060261	KGMSBCMOBWWLET-UHFFFAOYSA-N	408.461	5.610	30	20	HKED	
Cc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)sc1Cc1c(F)cccc1F	487624908	XVWKLDDMNOFMEV-UHFFFAOYSA-N	409.461	5.128	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc(-c3ccccc3)cc2)cc1	487910254	KTMDZQQFXSCUOM-UHFFFAOYSA-N	408.423	5.359	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC(c2nc3ccccc3s2)CC1	488112199	PCVUTOAJZKGMGQ-UHFFFAOYSA-N	406.461	5.378	30	20	HKED	
C[C@@H](Sc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	489688184	QPRCXWZRIJZUAC-LLVKDONJSA-N	424.869	5.127	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCCO3)cc2)CC1	494212217	LAYXMEXLHJEDKK-IBGZPJMESA-N	410.901	5.095	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CCC(C#N)CC3)n2)cc1	494800582	ONNFHVLGXATMIS-JOCHJYFZSA-N	416.550	5.034	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)Nc4cc(C#N)ccc4OC)CC3)c[nH]c12	495445616	XVFZJKZJDTVELB-UHFFFAOYSA-N	402.498	5.022	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	496569866	HWKUEHWZRMMWBR-QGZVFWFLSA-N	419.893	5.917	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1OC	499955065	KKMZVBLVLMEDEZ-QGZVFWFLSA-N	407.297	5.176	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1	504748875	DPRVNBOQINDOAX-RTBURBONSA-N	415.320	5.039	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12	508206661	PNZAUTNQYPRKOQ-AWEZNQCLSA-N	402.479	5.152	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1cc(C#N)ccc1OC(C)C	508596422	CMHOFVAOBHPIKF-UHFFFAOYSA-N	409.873	5.050	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(C(C)C)cc2)cc1	510984700	PWWNPVSWXWLREG-UHFFFAOYSA-N	405.542	5.288	30	20	HKED	
CCCOc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1OC	513203174	YRNXFJSSMQUOAU-GOSISDBHSA-N	414.505	5.514	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	513209482	CNJPAMBWXPBIGT-NSHDSACASA-N	423.753	5.346	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1	513470325	VPOKDOLOZMHYQY-UHFFFAOYSA-N	413.477	5.047	30	20	HKED	
C=CCN(C(=O)C[C@@H](C)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	515327637	FFMRJIATQYSVFR-MRXNPFEDSA-N	407.495	5.431	30	20	HKED	
CC(C)c1nn(C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	516264211	IGJHXPJNPAQWAV-CYBMUJFWSA-N	419.337	5.464	30	20	HKED	
N#Cc1ccc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F	517926584	GQBCHOXSWVQEGI-UHFFFAOYSA-N	414.353	5.072	30	20	HKED	
CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	520942898	SVXAWXOGNGDXRL-YLJYHZDGSA-N	409.555	5.019	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1	521733529	IGULRNXQZHROEZ-HNNXBMFYSA-N	420.987	5.342	30	20	HKED	
C=CCOc1ccc(-c2nc(-c3cccnc3Oc3ccccc3)no2)cc1OC	521911340	MICCKJJVSXJSTC-UHFFFAOYSA-N	401.422	5.164	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3nc(-c4ccco4)cs3)c2)cc1	522341729	QQKMEOPGAVLVOU-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
CCN(CCc1cccs1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	522575043	OKVMJCHYLIVTJO-UHFFFAOYSA-N	410.926	5.770	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1	522633124	CMNNXRRWHYEBAB-IBGZPJMESA-N	406.873	5.094	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cc2)c1	527000175	AFADNCQGWSZSFQ-UHFFFAOYSA-N	412.367	5.114	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1	531463634	HXAHHJQTOYNNEB-QGZVFWFLSA-N	407.539	5.268	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1	533887233	CSHUKJWKJREKMH-WBVHZDCISA-N	416.616	5.347	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC(C)C	535971809	PABZJAVCLVPFQB-HNNXBMFYSA-N	400.548	5.459	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	538526729	XQQUGVPFSJEGEH-GCJKJVERSA-N	412.505	5.629	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1-c1cccc(Cl)c1	538631939	TYRLGUZESDMXBP-SFTDATJTSA-N	419.916	5.138	30	20	HKED	
N#CC1(CSc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)CC1	538658162	OPKAVPAOLCSWFS-UHFFFAOYSA-N	418.909	6.001	30	20	HKED	
Cn1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c(-c2ccccc2)n1	541999713	UZRBKVIHQGVXAQ-UHFFFAOYSA-N	424.529	5.040	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1	542924171	GKAUPHGEYCOBKY-OAHLLOKOSA-N	417.309	5.076	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ncsc1C(F)(F)F)c1ccc(C(F)(F)F)cc1	549006020	GMRFWUFGQMLVTP-GFCCVEGCSA-N	408.367	5.618	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1Br	551483679	SWFIDUFJWFVADH-LBPRGKRZSA-N	402.679	5.086	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](c2ccccc2OC)C1	558993676	HRHXQMYSMNLSJL-SFHVURJKSA-N	413.525	5.005	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(F)cc(C#N)cc1F	560251174	JGHMLLKFUZEUPP-UHFFFAOYSA-N	422.275	5.146	30	20	HKED	
C[C@H](NCc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccc(C#N)cc1	569112589	LTHROZPBMRJCSH-KRWDZBQOSA-N	400.913	5.460	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	573825936	WAWMDOKAXIVDJV-FQEVSTJZSA-N	401.470	5.060	30	20	HKED	
N#CCCCCCC(=O)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F	588885267	MAJMKTHRAMGMJS-UHFFFAOYSA-N	421.285	5.735	30	20	HKED	
N#CCc1ccc(C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1	590007526	YYQBXDKUMDHEGL-QHCPKHFHSA-N	404.897	5.094	30	20	HKED	
C=CCN1CCC(NC(=O)N(Cc2ccc(-c3cccc(F)c3)s2)C(C)C)CC1	592524161	NHPTZFNPRIZINO-UHFFFAOYSA-N	415.578	5.125	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609054789	JQDDACMRERYXKG-UHFFFAOYSA-N	412.898	5.274	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C(F)(F)F)c1	609381696	LPLDFAZFUMCQNX-UHFFFAOYSA-N	418.362	5.982	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc2ccccc12	609384921	UNCUASBXGXPINI-SFHVURJKSA-N	403.551	5.557	30	20	HKED	
CC(C)N(C)Cc1ccccc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	609437280	YFQWBPQKTDZGIN-GOSISDBHSA-N	410.587	5.243	30	20	HKED	
N#Cc1ccc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)cn1	609643185	ZXVOQJDHXFVIFT-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccccc3OCC3CC3)cn2)cc1	610142357	ZERWFRSBROKAIW-UHFFFAOYSA-N	400.438	5.178	30	20	HKED	
Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccc(C#N)cc4)o3)c2n1	610219050	ZIQBTHSWAHKYCX-UHFFFAOYSA-N	411.248	5.351	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1	610356256	MYXIZDJKKJFWQS-BVZFJXPGSA-N	411.505	5.033	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1	610402866	SMSRSDAZCSXYPP-ZFWWWQNUSA-N	424.957	5.765	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	612314686	YYFXSSHWBQJABG-HNNXBMFYSA-N	400.400	5.206	30	20	HKED	
CN(C(=O)NCCCC#N)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1	612379990	GSBJMKOUFYQDJQ-SFHVURJKSA-N	420.738	5.137	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	616089777	GAMDNFDVYWFAPR-IJLUTSLNSA-N	414.365	5.438	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccoc1C	639395037	UYGVDQGXRYVFBY-HXUWFJFHSA-N	424.570	5.405	30	20	HKED	
CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1	642281449	IWQJGZOTJJWDDE-ZDCBYCKXSA-N	419.550	5.059	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1	675009771	PMBKIRLXJYACMQ-QFIPXVFZSA-N	403.441	5.697	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2CC)cc1	681397592	LHUHCYLQUWBYMI-QHCPKHFHSA-N	403.526	5.042	30	20	HKED	
COc1cc(C)c(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	681480067	SIQIBSAUGWTIFT-NXEZZACHSA-N	416.337	5.174	30	20	HKED	
CCOCCOc1ccc(Cl)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1	728175096	IGNKJEKTFKCUIX-UHFFFAOYSA-N	410.326	5.089	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)ccc1OCC#N	728442144	XIAGSWGQJKUZTI-VQHVLOKHSA-N	408.454	5.065	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccccc1Br)c1nc2cc(Cl)ccc2s1	729186978	SNJLGJHYIMIMBH-LBPRGKRZSA-N	405.704	5.131	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl	730488981	GHIDTDHKRVLFKQ-OAHLLOKOSA-N	412.320	5.307	30	20	HKED	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)s2)CS(=O)(=O)c2ccccc21	730575445	PAUGCJDQEWYOLO-SDNWHVSQSA-N	400.908	5.122	30	20	HKED	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	732434917	IKWYVKQJXIUJIG-UHFFFAOYSA-N	424.548	5.136	30	20	HKED	
O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOc2ccc(Cl)cc21	733749400	VVFLAFKUWWNGDD-WQLSENKSSA-N	412.854	5.421	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)c1	733806874	OYAUVSGDGROJEX-GDBMZVCRSA-N	420.340	5.277	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	734706851	ZVFFVQVWUALUFS-CJNGLKHVSA-N	400.425	5.611	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C\c3ccnc4ccccc34)c2)cc1	735430585	DCPNEKFCKQHIME-RAXLEYEMSA-N	419.484	5.532	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1	742886992	IZJDMFJSQWLGIM-MRXNPFEDSA-N	418.497	5.003	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)CC3CCC(c4ccccc4)CC3)o2)c1	744984322	MTZFVQRLBMWTRY-UHFFFAOYSA-N	401.466	5.016	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)N[C@H](C)c1ccccc1	749101013	ABTYMDFZHJGZHV-CQSZACIVSA-N	407.352	5.212	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc([C@@H](C)O)cc1	749354081	SGQSWJVLZOJWEV-QGZVFWFLSA-N	401.466	5.034	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(F)cc1F	752477425	QBJOBYADRFRTHV-BZNIZROVSA-N	424.419	5.121	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cnc(-c4ccncc4)s3)s2)cc1	753143918	IWFNMVMSNVEGSA-BQYQJAHWSA-N	419.531	5.542	30	20	HKED	
N#CC1CCC(COC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1	755952469	FPPPGNFGRADQDA-UHFFFAOYSA-N	408.445	5.245	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cc(Br)cc(Cl)c2O)c1	756710657	ZZJFWPOJJVKJBB-IUODEOHRSA-N	423.738	5.340	30	20	HKED	
C#CC[C@H](NC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C)c1ccccc1	757064725	MZEYHFMDXUYOFW-RXVVDRJESA-N	403.551	5.586	30	20	HKED	
CC(=NOCc1sc(C)nc1C(F)(F)F)c1nc2ccccc2n1C(F)F	758998833	QOBQVIVRJWVEJP-UHFFFAOYSA-N	404.364	5.156	30	20	HKED	
C/C(=C/c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	759269763	VSJUSKXPIRAVTC-LMICACPXSA-N	403.894	5.615	30	20	HKED	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C/C(=O)c2ccc(OCC#N)cc2)c1	759665994	KCPOVCNOCHTPFY-JLHYYAGUSA-N	415.493	5.112	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1OC	759873513	MVYLOPFHZRRJPA-DHZHZOJOSA-N	404.466	5.184	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c(C)s1	760238841	GFGSHXHTRWGVFI-UHFFFAOYSA-N	413.355	5.013	30	20	HKED	
N#C[C@H](C(=O)C1(CCOCc2ccccc2)CC1)c1nc2cc(Cl)ccc2s1	770840194	BYYMAWMOJIQBQB-QGZVFWFLSA-N	410.926	5.513	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3c(F)ccc(Br)c32)c1	772986087	ZRZHUJCZLPGOCD-AUUYWEPGSA-N	403.295	5.046	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3ccc(Cl)cc32)ccc1OC	772986629	PNPBOVFCGLWSHG-PKOBYXMFSA-N	400.906	5.033	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1	777046006	QTKJYABZBZNSNN-UHFFFAOYSA-N	409.492	5.055	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	779902812	AFYKOZOGYLCGEJ-QHCPKHFHSA-N	412.917	5.516	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@@H](C)c1ccc(C#N)cc1	782322803	OGCSHCGGCUQVLJ-LBPRGKRZSA-N	400.356	5.459	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCCN1c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	786322692	LCBWFYPKWJCEIC-NVXWUHKLSA-N	415.440	5.160	30	20	HKED	
COc1cccc([C@H](C)CCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1	789408451	KVQOQWHESQQLCO-CRAIPNDOSA-N	411.452	5.590	30	20	HKED	
COc1cccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1F	796811175	LXQUPGUPTFGVMK-ZDUSSCGKSA-N	422.403	5.272	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1	796891184	DAFRYSFSGVRKPO-LEWJYISDSA-N	423.472	5.085	30	20	HKED	
CCN(C(=O)Cc1sc(SC(F)(F)F)nc1C)[C@@H](C)c1ccc(C#N)cc1	798283940	PCGNEAPCFFLBLM-LBPRGKRZSA-N	413.490	5.087	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNCc1ccc(C#N)c(Cl)c1	800895743	LVBFGKXUUZHPFB-UHFFFAOYSA-N	405.716	5.302	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cccc(C(C)(C)O)c1	806252382	ALZRAHMVGUGMQK-UHFFFAOYSA-N	415.493	5.317	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc([C@@H](O)C(F)(F)F)cc2)cc1OC	864043548	LWEADDZKOKEUHU-GOSISDBHSA-N	401.812	5.121	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3nc(Cl)ccc3Cl)c2C#N)C1	875474129	OCTBQAQCWNYFMB-JTQLQIEISA-N	408.354	5.725	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(SC(F)F)cc1	914744555	WSVFRVDRJSPNSZ-URLYPYJESA-N	421.353	5.641	30	20	HKED	
C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915359728	ZJCWOGKOJZCYIE-YKSBVNFPSA-N	404.558	5.118	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1	916883873	VTVKHBOFQBIRPM-AWEZNQCLSA-N	421.865	5.171	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1	916897528	NIZSOHXCBPYHJF-ZMOVQZPESA-N	420.921	5.738	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2cccc(F)c2)c1=S	917487573	UPQDNTKPNYIGSI-HXUWFJFHSA-N	424.545	5.209	30	20	HKED	
Cc1cc(C)cc(C2(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2)c1	920807055	WWHUTMMROYVGRP-INIZCTEOSA-N	408.473	5.613	30	20	HKED	
CC(=O)N(c1nc(/C=C2/Cc3c(F)cccc3C2=O)cs1)c1ccc(F)cc1F	921264293	QCCPJOTWGNSJBC-GHXNOFRVSA-N	414.408	5.067	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)CCCCC)CC1	1831468483	PFITUFDVFKRVFU-GGAORHGYSA-N	402.623	5.016	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(Br)cc2Cl)cc(OC)c1OC	18229272	OTNHLETUWGEYIS-UHFFFAOYSA-N	410.695	5.101	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(CC)c2)cc1	22732409	AFVNVTWEUMJVBV-UHFFFAOYSA-O	409.600	5.520	30	20	HKED	
C=CCn1c(SCc2cc(F)cc3cccnc23)nnc1-c1ccccc1OC	31616304	PEMZPSMKENKHQS-UHFFFAOYSA-N	406.486	5.119	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1	55428567	KJXIQJNOYWWBEQ-UHFFFAOYSA-N	415.474	5.037	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	62414963	GLBOFDXBCQNLNO-UHFFFAOYSA-N	413.930	5.596	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	69770912	MNJAPIYIDOMSJL-UHFFFAOYSA-N	416.955	5.544	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)c1cnc2ccccc2c1C(F)(F)F	97393185	UMSCHICFPAAGPJ-UHFFFAOYSA-N	416.296	5.342	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@@H](C)C2	97554370	OYZNSTOVBKFGML-YXWZHEERSA-N	422.550	5.455	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(OC(F)(F)F)cc1	303245772	ARILFBCZFORJLI-AWEZNQCLSA-N	408.445	5.408	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1Cl	303401567	REIWYNMZORDZAX-JXFKEZNVSA-N	413.974	5.367	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3F)cc2)c1	303534282	RXHZHDSTRWEPLR-YADHBBJMSA-N	404.416	5.158	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)s1	426168366	QMQLQJQLKJUPPW-CYBMUJFWSA-N	409.898	5.268	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1sc2c(c1C#N)CCC2	427486653	IMZMDDGGRMUTAV-NSHDSACASA-N	413.955	5.429	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](OCC3CC3)C2)cc1Cl	429171954	PTJGESUUFLIGRG-UNMCSNQZSA-N	423.944	5.418	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1	431697782	PXCFDAPVQVVUAQ-MRXNPFEDSA-N	406.711	5.659	30	20	HKED	
Cc1c(-c2ccccc2)sc(NC(=O)N(C)[C@H](C)CC#N)c1C(=O)N1CCCCC1	434118745	KKMFOWSBHNPJAW-MRXNPFEDSA-N	424.570	5.116	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1	434206785	BGSPHJVDNUHWSV-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc1	434213111	YZADRHSIEFJHKH-XFKLWTPLSA-N	421.463	5.082	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F	437487368	ABXOJBIYNSXLJC-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12	444266689	JJIBABRYSBBXQU-UHFFFAOYSA-N	410.315	5.522	30	20	HKED	
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(C(C)C)cc1	460368170	FKKNEYROQPRMCD-UGKGYDQZSA-N	412.578	5.043	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Oc1cccc(F)c1	460484057	VMNPCUGRUHVCEV-INIZCTEOSA-N	406.482	5.046	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc2s1	464416534	IVORILUOVGWDAE-LLVKDONJSA-N	424.473	5.108	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	464938609	MGUTYHPPIBTNKC-CZAAIQMYSA-N	400.444	5.497	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(F)c1F	465459927	NWFXZBIEINVOKD-UHFFFAOYSA-N	404.335	5.381	30	20	HKED	
COc1ccc([C@H](NC(=O)NCc2cccc(C#N)c2)c2ccccc2Cl)c(C)c1	465522474	SXONUGPDIDJWRY-QHCPKHFHSA-N	419.912	5.118	30	20	HKED	
O=C(Nc1cncc(F)c1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	466462244	KZEOUYPQQKMCOD-KWEADSPHSA-N	424.360	5.282	30	20	HKED	
N#CCCSc1ccccc1NCc1ncc(-c2cccc(Br)c2)o1	467263702	YZGJELSNHYHKOQ-UHFFFAOYSA-N	414.328	5.722	30	20	HKED	
N#CCCCn1cc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c2ccccc21	469011137	QJJWDPJHHCQXIA-UHFFFAOYSA-N	422.532	5.225	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1	473173411	YUPQXCQRFAFYOI-HXUWFJFHSA-N	424.909	5.279	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c12	474431282	HAXAPGJTBPAZNE-MRXNPFEDSA-N	423.586	5.688	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1	475562363	GAQRHSGIXRTISE-UHFFFAOYSA-N	410.905	5.564	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1	475568194	NFYQSXWOSAKGHZ-UHFFFAOYSA-N	420.553	5.674	30	20	HKED	
N#Cc1cccc(OCCCSc2nnc(-c3ccccc3)n2Cc2ccco2)c1	477522524	ITFNWTBELWYKJY-UHFFFAOYSA-N	416.506	5.019	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	480546210	AOOWBTNRPWQKEN-ZWOKBUDYSA-N	411.571	6.099	30	20	HKED	
CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	481152041	FROSUYGPBOFBPS-QHCPKHFHSA-N	418.468	5.267	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(OC2CCOCC2)c(C)c1)c1ccc(F)c(F)c1	481201112	JAELEOXCEVIMHJ-JOCHJYFZSA-N	416.468	5.270	30	20	HKED	
Cc1cc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)o1	481681929	DEIMGMFRMOTRAJ-OAHLLOKOSA-N	407.445	5.369	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1	487366739	QQKRRZHMJFNKRF-QFIPXVFZSA-N	407.945	5.089	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccccc1	487577328	UILRRIFKDGTNPN-OAQYLSRUSA-N	405.885	5.692	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)o1	498819206	IPJMDLZYXJUQDY-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1c(Cl)cccc1Cl	499810059	SHXRZVMGGXONEM-WQGACYEGSA-N	413.226	5.497	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2	500811283	XNUMIKSHPHWKAV-CQSZACIVSA-N	419.356	5.070	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC(F)(c2cccc(Cl)c2)C1	504106826	DUMBVSULNHKPIL-UHFFFAOYSA-N	418.944	5.233	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(COc2cccc(Br)c2)o1	505182048	MJDXZSMUKVRIOH-UHFFFAOYSA-N	419.319	5.023	30	20	HKED	
CCOC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	506758334	QMHPADQQWCWQOE-QGZVFWFLSA-N	413.905	5.284	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1	506812836	DGSPMLRINQTLME-LJQANCHMSA-N	420.557	5.173	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCO[C@@H]1CCCc2ccccc21	506838886	MUVZVMKCKFBCRQ-PGRDOPGGSA-N	423.582	5.544	30	20	HKED	
N#CCc1cccc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)c1	508744508	XKOYCDCLUHNAEJ-UHFFFAOYSA-N	424.422	5.836	30	20	HKED	
CN(CCOc1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510647121	IRJIRUFLWQGDJK-UHFFFAOYSA-N	405.429	5.032	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1	510856372	DXCMFYHGRBUXQW-XMMPIXPASA-N	415.468	6.167	30	20	HKED	
N#Cc1c(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)sc2c1CCCC2	512389267	IYGFGUMRIZSODQ-UHFFFAOYSA-N	417.321	5.243	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)n1	513972978	NAJKLCQXERUVDO-UHFFFAOYSA-N	404.539	5.680	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(Cl)ccc4o3)n2)cc1	516270304	RHFYIKMABXFPRJ-MRXNPFEDSA-N	403.850	5.571	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	517474190	YEPUIWDHQSLFJI-HOTGVXAUSA-N	422.579	5.945	30	20	HKED	
C=CCc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc(OC)c1OC	520877591	MLCKBZMPNOQKQY-DHIUTWEWSA-N	401.506	5.005	30	20	HKED	
COCCOc1cc(C)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521089337	KEAIXHSURUEVFD-UHFFFAOYSA-N	416.477	5.131	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nccn1-c1ccccc1	521220204	ILAFRUHAIFJAPB-SFHVURJKSA-N	417.538	5.082	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(COCC4CC4)c3)cc2)cc1	521954252	IEWPHLBHGNKSIU-UHFFFAOYSA-N	412.489	5.724	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccs1)C(C)C	524439777	IKTLGUXFWJFZHT-UHFFFAOYSA-N	419.550	5.950	30	20	HKED	
CC(C)Oc1ccccc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N	524613736	HHCZHQTTZWJGTQ-KRWDZBQOSA-N	414.596	5.597	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F	525044074	ZZIYDICTZRNGBW-IFMALSPDSA-N	420.434	5.621	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1csc([C@@H]2CCCO2)n1	533709803	KXYXDEFVGXJLCC-NRFANRHFSA-N	421.497	5.161	30	20	HKED	
C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	535642467	RUFLVYAIZVYUKH-SFHVURJKSA-N	416.546	5.307	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C	538234363	KVGSKEXOQOIPMW-ZHRRBRCNSA-N	413.562	5.535	30	20	HKED	
C[C@H](N[C@H]1c2cc(Br)ccc2SC[C@@H]1C)c1ccc(C#N)c(F)c1	540707945	JPCLVEMLDKUBLB-SYTFOFBDSA-N	405.336	5.594	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ncc(Cl)cc2Cl)cc1C(F)(F)F	542932273	JQRGDMFWWURMKW-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
C[C@@H](NCc1nc2ccccc2n1C(F)F)c1ccc(-c2cccc(C#N)c2)cc1	543873498	ZOTMGKJNKYFFDE-MRXNPFEDSA-N	402.448	5.821	30	20	HKED	
Cc1ccc([C@H](NCc2cnc3ccc(C#N)cn23)c2ccc(F)cc2Cl)cc1	551798993	DQGCOJMKESBTGJ-QHCPKHFHSA-N	404.876	5.186	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1ccc(-c2ccccc2)cc1	554872573	XUZFRWMZYVUZKP-UHFFFAOYSA-N	412.876	5.385	30	20	HKED	
CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1ncc(C#N)cc1C	559186819	QCGCAAKBQSXQBF-UHFFFAOYSA-N	413.399	5.203	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn(C(C)C)c1-c1ccccc1	561239597	BGVYEBBFKXRXIR-UHFFFAOYSA-N	405.546	5.127	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1Cl	563786354	NBLYVNSECCJBJK-UNMCSNQZSA-N	405.929	5.792	30	20	HKED	
N#Cc1ccc2ncc(CNC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)n2c1	564717750	LHICJMBSQPKHIY-UHFFFAOYSA-N	407.304	5.392	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	565139778	OYUVQGDKWGBYDD-LJQANCHMSA-N	408.445	5.263	30	20	HKED	
Fc1cc([C@@H]2C[C@@H]2c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)cc(F)c1F	565507051	DEPJEVVTGMJYJU-HUBLWGQQSA-N	416.296	5.836	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)c3ccccc3n2)cc1NC(=O)c1ccccc1F	582629387	DEUYBUCIKGNUHX-UHFFFAOYSA-N	424.435	5.059	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccnc(Oc4ccccc4)c3)cc2)ccn1	589541869	NQYFSYRZOJZJRZ-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1c(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)sc2ccc(C#N)cc12	590037999	ICYLNHUSDZDVSS-UHFFFAOYSA-N	408.498	5.042	30	20	HKED	
COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)c(C#N)c2Cl)c1	602757149	FXIDRWBKAZBWJV-NRFANRHFSA-N	407.832	5.130	30	20	HKED	
CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603691716	AIIFMXLTLVOXOH-UHFFFAOYSA-N	408.461	5.563	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(OCc2ccccc2)cc1	609172078	OABRUIIZUWWFCB-NRFANRHFSA-N	421.294	5.023	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	609173068	LAKVWGCZBBGQIO-CYFREDJKSA-N	416.546	5.268	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	609260996	AZFQNQKOIXXMPR-QFIPXVFZSA-N	408.473	5.328	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)ccc1OCCC(C)C	609460727	BSBFAZREUGXEEE-GOSISDBHSA-N	420.431	5.134	30	20	HKED	
C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)CCCCC#N)[C@@H]1C	609465202	KUUTXPOTZCWUKC-QINHECLXSA-N	414.974	5.129	30	20	HKED	
CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	609556021	RTQBYYXTAGITNL-ROUUACIJSA-N	402.608	5.103	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	609585177	WZNNSHXPTCTXNP-IRXDYDNUSA-N	423.582	5.135	30	20	HKED	
C[C@H](NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1cccc(C#N)c1	610359999	LNWSXXWXZXRUBD-OYHNWAKOSA-N	408.473	5.547	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCc2c(Cl)cccc21	611411267	VDGHUPJFBSLCPB-LJQANCHMSA-N	403.869	5.376	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642395798	DQPUQFJBDKEROQ-JIGDXULJSA-N	408.264	5.135	30	20	HKED	
CC[C@H](C)c1ccc(-c2cc(C(=O)[C@@H](C#N)c3ccncn3)c3ccccc3n2)cc1	680617518	SQBWNTXQJJHONS-JTSKRJEESA-N	406.489	5.695	30	20	HKED	
Clc1nc2ccccn2c1C=NNc1ncnc2sc(-c3ccccc3)cc12	725791621	VPGITGHPRAYFIX-UHFFFAOYSA-N	404.886	5.105	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc2ccccc2o1	727058791	VYTIDUDDAWGSGR-UHFFFAOYSA-N	405.479	5.070	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)Nc1c(Cl)ccc(C)c1Cl	728446985	SMPRHWIUQYIQGJ-UHFFFAOYSA-N	405.803	6.402	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1	728480928	WBKDHBYUKYTPJJ-UHFFFAOYSA-N	410.395	5.541	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12	729070315	NLUPIXRUNZEQTN-AWEZNQCLSA-N	413.424	5.524	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1c(Cl)cccc1Cl	730092693	PQSURSCWOANGSC-ZDUSSCGKSA-N	413.091	5.776	30	20	HKED	
N#C[C@@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1cccc(Cl)c1Cl	731195892	PIHDXZHAHCDNPM-CNZFZVQHSA-N	416.695	5.589	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1	733807011	PTSHZNXKEPWLQZ-NOZRDPDXSA-N	413.521	5.151	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2F)c1	733843773	VIBIVIBHMDRCNJ-HXUWFJFHSA-N	403.457	5.495	30	20	HKED	
Cc1ccc(C[C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)c2ccccn2)cc1	734380242	DCVXBWZQMRMBTR-NRFANRHFSA-N	406.942	5.186	30	20	HKED	
COc1cc(/C=C\C(=O)c2cnccn2)ccc1OCc1ccc(Cl)cc1Cl	734751793	YYZVCENFAKIPAV-KXFIGUGUSA-N	415.276	5.267	30	20	HKED	
C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1	735317909	HKFAEOOFVRIXDY-KBPBESRZSA-N	423.365	5.395	30	20	HKED	
COc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)c(SC)cc1OC	741258935	RVVWGIZTJLGOMT-UHFFFAOYSA-N	410.564	5.316	30	20	HKED	
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	743096792	RCXHBUNJMGXRFO-CLJLJLNGSA-N	424.548	5.080	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@@H]2c2cccc(C)c2C)c1=S	743388934	VDQSLBWOFPFLHP-JOCHJYFZSA-N	419.598	5.464	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744034894	FWZBGBDTTMSLSS-ZWNOBZJWSA-N	408.832	5.948	30	20	HKED	
C[C@H](ON=Cc1ccccc1Br)c1nc(-c2ccc(Cl)cc2)no1	744444106	QWJCKKJKTOHBHQ-NSHDSACASA-N	406.667	5.264	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@@H](C)c2ncc(-c3ccccc3)o2)cc1OC	748097626	NHIXPQXMQWVWNH-AWEZNQCLSA-N	400.862	5.514	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)s1	750689285	ZVDPIOFQVVEFPP-GWCFXTLKSA-N	407.347	6.158	30	20	HKED	
Cc1ccc(SC2(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)CCCC2)cc1	750965198	FWYQGVRKOBSXMW-UHFFFAOYSA-N	419.506	5.065	30	20	HKED	
C=CCN(C(=O)c1ccnc(F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	751054133	IHZRROXMFKFCAU-UHFFFAOYSA-N	415.493	5.844	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)c1=S	765051683	BLGCNOJWDULFOP-UTKZUKDTSA-N	423.561	5.232	30	20	HKED	
O=C(/C=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(N2CCOC2=O)cc1	766688031	ILVWWLOZUCJFPC-AWNIVKPZSA-N	417.436	5.257	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)C1CCCCC1	767041610	ASYYGIPGQDGLHB-INIZCTEOSA-N	402.560	5.169	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	767589478	ULXYSXSKCKDAHF-VGOFRKELSA-N	415.541	5.485	30	20	HKED	
N#CCN1CCC(OC(=O)c2oc3ccccc3c2CSc2ccccc2F)CC1	770787349	ROFGFTLFEWJPEF-UHFFFAOYSA-N	424.497	5.009	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1	772981793	BECREWBUEOEWIP-BVAGGSTKSA-N	418.512	5.589	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2ccc(Cl)cc2Cl)ccc1OC	772984307	DENSPKUMMHATIR-LPHOPBHVSA-N	407.341	5.924	30	20	HKED	
N#C[C@H]1C(CN[C@@H](c2ccccc2)C2CCCCC2)=CC(=O)n2c1nc1ccccc12	776012467	ZMOIDDAORAXLHF-OFVILXPXSA-N	410.521	5.135	30	20	HKED	
COc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2OC)cc1	776172496	YVDBAWGOGPNJLX-AVRWGWEMSA-N	402.494	5.046	30	20	HKED	
Cc1nn2c(CNc3ccc(OCc4cccc(C#N)c4)cc3)c(C(C)C)nc2s1	779595289	XJGLWLQOUCTWJV-UHFFFAOYSA-N	417.538	5.285	30	20	HKED	
C#CCCCCCC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	780255263	OOKDVRCJXCULFC-UHFFFAOYSA-N	412.555	5.380	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	781134716	GBXWXTHGJUYQOH-FDDCHVKYSA-N	414.505	5.177	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)OCC(=O)Nc2ccccc2SCC#N)c2ccccc21	787081586	OXMFYCGBVPOZRV-PXNSSMCTSA-N	422.550	5.101	30	20	HKED	
Cc1ccc2c(c1)CC[C@@H](C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O2	796650374	LJCOCTWHPLTNFB-YOEHRIQHSA-N	416.424	5.194	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCNC2=O)cc1)=C/c1ccccc1C(F)(F)F	799892790	PJKLSPXXSPQPFW-VPCSQCHNSA-N	400.400	5.077	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F	800593218	BBHYQPBSZWJHMI-GFCCVEGCSA-N	411.355	5.092	30	20	HKED	
N#CCSCCCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	805325523	VMYBCUFTRVQPIJ-NXVVXOECSA-N	404.491	5.118	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2cc(F)ccc12	805855833	NVOFSIWADOZSAI-CYBMUJFWSA-N	421.280	5.617	30	20	HKED	
Cc1cccc2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)sc12	808630028	CIIWQXNFXJSILI-AWEZNQCLSA-N	424.547	5.257	30	20	HKED	
Cc1cccc2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)sc12	808630029	CIIWQXNFXJSILI-CQSZACIVSA-N	424.547	5.257	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)cc1C	814276472	YKILEBCUPFHKTL-ZHZULCJRSA-N	407.564	5.059	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(C)n(Cc3ccco3)c2C)S1	915849081	VWILKDUUUYBPIU-UDWIEESQSA-N	405.523	5.255	30	20	HKED	
O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1Br	916140193	FNMMIKGICYBCAE-DAXSKMNVSA-N	411.049	5.016	30	20	HKED	
CCC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	917042852	HZFAQZGRPIESHX-HZPDHXFCSA-N	402.441	6.075	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920142582	QTQVBGTZANYSQC-KXBFYZLASA-N	403.532	5.180	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(Br)c(C)c2)cc1	920478730	DPNXVDOARKIHFE-UHFFFAOYSA-N	417.351	5.467	30	20	HKED	
O=C1/C(=C\c2csc(COc3ccc(Cl)cc3)n2)COc2c(F)cccc21	921266229	LJABUKRXOAXNKL-WQLSENKSSA-N	401.846	5.173	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)cc1C#N	1355601058	KQPOGVFRETXIIP-UHFFFAOYSA-N	411.870	5.079	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(C)(C)C)c4)cc3)CCC2)C1	1787036373	OZDSEMZOSLPQLI-UHFFFAOYSA-N	417.553	5.093	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2ccccc2)n[nH]1	1823493445	QARYJEMCEYHAPZ-WIYYLYMNSA-N	422.573	5.198	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1832034085	IPXZKKAEPWFLNK-GMKZXUHWSA-N	414.634	5.016	30	20	HKED	
CCCCSc1nnc(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1	29451899	FXKWDWPIDMJTIV-UHFFFAOYSA-N	420.629	5.086	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)n1	32321470	IEFYTYZWTWWMLV-KRWDZBQOSA-N	407.461	5.344	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2ccccc2s1	41503049	ZBJAHMUJAWALLA-HNNXBMFYSA-N	403.488	5.100	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1CC(F)(F)F	51533940	HNMGWRJXZWNBRA-INIZCTEOSA-N	403.429	5.281	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1	55844336	VDZNDCHVVCPUPM-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2ccc(OC)c(Br)c2)ccc1OC	60927356	VPRCYDFUHDYPBB-HNNXBMFYSA-N	420.347	5.272	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1Sc1ccccc1C#N	302657809	SONICMQJDILLDR-UHFFFAOYSA-N	415.543	5.591	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C	303297244	CBBQKNGNBKRJFY-KSFYIVLOSA-N	413.562	5.393	30	20	HKED	
COc1ccc(CNc2ccc(C(C)(C)C(F)(F)F)cc2)cc1OCCCC#N	428542199	UPHWAXIXRLWUHP-UHFFFAOYSA-N	406.448	5.830	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	429841864	XVONEEXZXUSGLO-UHFFFAOYSA-N	401.516	5.253	30	20	HKED	
C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431870608	TWZXYURHRXAQOE-UZLBHIALSA-N	414.347	5.114	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433172604	FSSRRPURWALSOC-OAQYLSRUSA-N	401.514	5.688	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O	436822459	PBPBUZYBMAXQFJ-HNNXBMFYSA-N	419.308	5.132	30	20	HKED	
Cc1ccnn1-c1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	437461356	PVLTZKGRCMBFJQ-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
N#Cc1cc(NC(=O)C(=O)Nc2cccc3ccsc23)ccc1Oc1ccccc1	442231505	VLQBNELDJINJTH-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
N#C[C@H]1N(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CCC[C@@]12CCCCO2	442805318	YIMQDOQNZHTNFK-UTKZUKDTSA-N	418.324	5.056	30	20	HKED	
O=C(Nc1cccc(F)c1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444840087	SCCTYTOEQKKQGG-ZDUSSCGKSA-N	412.280	5.799	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	444903890	ZAKDCZZJPDFULB-MAUKXSAKSA-N	421.488	6.205	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1	445585474	SRJGLIVUUKMZBV-UHFFFAOYSA-N	410.477	5.181	30	20	HKED	
C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1	460885137	RDMCTVHQBFZIFB-NWVWQQAFSA-N	415.537	5.029	30	20	HKED	
Cc1cc(C)c(NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)c(Cl)c1	463234953	LBFPGMNEPXARGY-UHFFFAOYSA-N	423.875	5.811	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1cc(C(F)(F)F)ccn1	464410474	WQUHRKKMYHZSSQ-MRXNPFEDSA-N	418.321	5.661	30	20	HKED	
C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccc(Oc2ccccc2)c(F)c1	465688877	NEMWCCMUIFXZDJ-OAHLLOKOSA-N	407.420	5.189	30	20	HKED	
C=CC[C@@H](CC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	466543356	UAXRIOVBSWUANY-YGAHKIJPSA-N	411.430	5.580	30	20	HKED	
C=CCCN(C)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466959532	KRTHBWYJJRVCEY-ZDUSSCGKSA-N	408.365	5.160	30	20	HKED	
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C[C@H](CC#N)c1ccccc1	474966361	MZMROSHJRYNONF-FQEVSTJZSA-N	403.526	5.084	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1	475161384	IVNVIOHTZHGQHJ-RBUKOAKNSA-N	407.583	5.320	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1	475557093	WMTUKTPUVUUGIV-KRWDZBQOSA-N	411.933	5.119	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1	475568552	HAGHVSFAWHKEFL-UHFFFAOYSA-N	407.558	5.939	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)c(F)c1	475899779	NNXXKSPMOILFEN-DFBJGRDBSA-N	419.475	5.385	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)NCCc1cccc(Cl)c1Cl	476362450	CYHHLUXOYNYCRH-CQSZACIVSA-N	422.381	5.016	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(F)c(F)c1	477742630	MIWMABMQKMBSSB-SSKFGXFMSA-N	400.469	5.049	30	20	HKED	
C=C(C)[C@@H](NCc1csc(COc2ccc(F)cc2)n1)c1ccc(F)c(F)c1	481571854	OOORWSBAJMQAED-OAQYLSRUSA-N	404.457	5.546	30	20	HKED	
COc1ccc2c(c1)c(C(=O)[C@H](C#N)c1cnc3ccccc3n1)c(C)n2C1CCCC1	483189090	BHLDKYRMPFINNZ-HXUWFJFHSA-N	424.504	5.507	30	20	HKED	
CC(C)(C)[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1	484269143	XQLIYWPRWOPIQS-LAUBAEHRSA-N	411.477	5.205	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C#N)c(Br)c2)cc1	487841137	QPEUDCSZFIKBRM-LJQANCHMSA-N	414.303	5.088	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(Br)s2)nnc1-c1ccncc1	489441202	SMVQECJBDWMXSN-UHFFFAOYSA-N	407.362	5.033	30	20	HKED	
CC(C)(C)[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	490790141	DMYCBOBIXZUHTM-XZOQPEGZSA-N	423.532	5.003	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2)c1	494438350	QSBLYRFNGMCWKR-UHFFFAOYSA-N	409.411	5.133	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1	494494868	MAFMYZZXKXVYJB-HNNXBMFYSA-N	403.931	5.286	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc(OCCCC#N)c1	496260571	FTGUYKKSQJBARN-UHFFFAOYSA-N	422.916	5.006	30	20	HKED	
N#Cc1ccc(-n2nccc2NC(=O)c2ccc(SCc3ccccc3)cc2)cc1	497938489	LXVDGGUHQFNDSM-UHFFFAOYSA-N	410.502	5.289	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OC3CCCCC3)CC2)cc1	497995198	BQYNKKJLLFNENA-UHFFFAOYSA-N	419.525	5.696	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C(C)C	501622787	UJMXHAVLSHKVPZ-UHFFFAOYSA-N	416.525	5.365	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCC(=O)c3csc4ccccc34)CC2)cc1	503862354	WVYDIIWSCGHMSR-UHFFFAOYSA-N	400.503	5.052	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	505022237	BRHIJQDDHNQLJX-LJQANCHMSA-N	420.488	5.406	30	20	HKED	
Cc1cn2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)sc2n1	505201506	UQQGHVWUGAPYQR-UHFFFAOYSA-N	422.897	5.061	30	20	HKED	
N#CC1(CCCSCCOc2ccc(Cl)cc2Br)CCOCC1	507713662	KRNZZGPFQSDAIP-UHFFFAOYSA-N	418.784	5.315	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2ccccc2C)C1	508477455	LLWUPFXHOAFLRJ-IBGZPJMESA-N	420.582	5.067	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc(-c2ccc(C3(C#N)CC3)cc2)n1	508663684	HGZNDXWKJRJDKP-FQEVSTJZSA-N	407.901	5.504	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1	511725666	CEHOVIUOXOBXAP-HXUWFJFHSA-N	424.859	5.061	30	20	HKED	
CC(C)[C@H](NC(=O)C(=O)Nc1sccc1C#N)c1ccc(C2CCCCC2)cc1	511953608	PLGKXAOKMCMHGP-FQEVSTJZSA-N	409.555	5.119	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	512725132	JVMFZRIDXAQSKB-UHFFFAOYSA-N	423.472	5.277	30	20	HKED	
Cc1nc(NC(=O)C2(C#N)CCCCC2)sc1Cc1cccc(Br)c1	512925535	JBZLCRHZGKCVHM-UHFFFAOYSA-N	418.360	5.217	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	512962593	RVRGNJKRBDQPNY-UHFFFAOYSA-N	415.346	5.085	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)NCC(C)(C)CCC#N	513139969	AFHPJRXBZVGXIW-UHFFFAOYSA-N	401.551	5.804	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCSc2ccccc2Br)cc1	515158847	PSSJCFDZTVLYCL-UHFFFAOYSA-N	403.345	5.371	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	517964233	XDWGXCIPIRZMGP-UHFFFAOYSA-N	401.466	5.379	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1	518454066	XGDPFLYEAYTZCH-FCHUYYIVSA-N	422.912	5.178	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1	523343458	ZENJFKDVVYOBJR-UHFFFAOYSA-N	418.472	5.006	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1	523617846	DVTAKQBCNGRTPO-OAHLLOKOSA-N	406.511	5.561	30	20	HKED	
C[C@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1C(F)(F)F	525052321	MVECNIXDCDUDIA-MRXNPFEDSA-N	416.443	5.141	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc([C@@H]2CCCO2)n1	533717596	FDHVWPOMKIPCSA-NRFANRHFSA-N	419.506	5.006	30	20	HKED	
CCCOc1ccccc1[C@H](CC(C)C)NCc1nnc(-c2ccc(C#N)cc2)o1	537175092	RVAGVRJGKMBWNY-NRFANRHFSA-N	404.514	5.274	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1Cl	537433357	APDXLFAKWUYJNE-JOCHJYFZSA-N	411.892	5.803	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1	541995457	SNGRIVCZMNGCGZ-UHFFFAOYSA-N	409.449	5.062	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCCCSCC#N	543506177	XMCCTDJAGCNCIF-LBPRGKRZSA-N	410.406	5.179	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCO)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	543880553	BHZZDEMJQDKJJF-KBMIEXCESA-N	413.521	5.099	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543896396	CTGUIPDZZDQXEV-ZBFHGGJFSA-N	405.523	5.189	30	20	HKED	
Cc1c(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)sc2ccc(C#N)cc12	550442358	ZBSJYVQTFSEFHC-INIZCTEOSA-N	410.470	5.031	30	20	HKED	
Cc1ccccc1[C@H](C)N(Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)C	560267288	VUYZPNBHMPQNQC-NRFANRHFSA-N	401.558	5.386	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C1CCC(F)(F)CC1	570753052	AHDYJSFBVFRMCQ-UHFFFAOYSA-N	404.844	5.654	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1	577803423	QPUXPCOQOJPQRI-UHFFFAOYSA-N	406.873	5.475	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12	592974609	VJSWTCQKLVXPME-AWEZNQCLSA-N	420.469	5.292	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)c(F)c(F)c2F)cc1	604003393	DBJJGJDYHRDSET-UHFFFAOYSA-N	414.358	5.140	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3cccc4cccnc34)cc2F)c1	609110926	ZQQRVFCPDMATCF-UHFFFAOYSA-N	411.436	5.006	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC(F)F	609177381	RQKVTOHGFRJNMJ-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	609261132	QMKDGASLWUZIAA-QFIPXVFZSA-N	408.473	5.328	30	20	HKED	
Cc1nc(CCC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)oc1-c1ccccc1	609298024	VPNAHNCUMVYHMB-UHFFFAOYSA-N	401.510	5.139	30	20	HKED	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	609437272	XMUZVLFPKHFUSK-INIZCTEOSA-N	413.543	5.152	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3oc(O)nc3c2)c1	609723599	KVLZYIZBRZLGJI-UHFFFAOYSA-N	405.797	5.103	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CSc3ccccc32)cc1	609814949	JOOJCCGAJILJQG-NRFANRHFSA-N	400.503	5.160	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)ccc1OCCC(C)C	610348492	FHTLNALGGLRWHK-MSOLQXFVSA-N	409.530	5.113	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1SCc1ccco1)c1cccc(C(F)(F)F)c1	611252370	RGECXJWMXPRESB-SFHVURJKSA-N	416.424	5.585	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1C1CCCC1	612018678	ZSDNFPVOVIFKKQ-UHFFFAOYSA-N	415.497	5.262	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1Br	616327232	ANGQFRIZCIKTFM-CYBMUJFWSA-N	403.345	5.713	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3)n2)nnc1-c1cccnc1	623133183	FFVSWVAVNAEALI-UHFFFAOYSA-N	406.540	5.019	30	20	HKED	
COc1ccc(C[C@H](C)CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	681112651	WLEMVNLJIYZIJL-SPWCGHHHSA-N	415.393	5.512	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	682777179	HLJDMLIHAWEECD-HUUCEWRRSA-N	408.386	5.743	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1	683776021	IQRRKOINSITPEK-IBGZPJMESA-N	401.293	5.022	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(CCC#N)CC(C)(C)C)c1=S	729467815	FFKFDKPVEVMWGJ-UHFFFAOYSA-N	403.983	5.140	30	20	HKED	
N#CCOc1ccc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1	729685375	NVVAYUGRIDHZJT-UHFFFAOYSA-N	423.856	5.233	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@H](c3ccccc3)C2)cc1	729877825	QGGYOGUITFMBAK-DQEYMECFSA-N	411.505	5.338	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)O[C@H](c3ccccc3)c3cccnc3)cc2)nc1	732503547	IZHCQNXQJLCLBP-XMMPIXPASA-N	407.429	5.087	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCCCC2)cc1	733083615	NQCHLVJSOHMBGT-XFXZXTDPSA-N	419.506	5.605	30	20	HKED	
N#C[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1	733621980	IUYNNWPQHVVSQG-XTNYPIGLSA-N	416.296	5.258	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	733626969	DLKAFLBFEZFQKZ-UHFFFAOYSA-N	416.437	5.481	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2s1	734113438	GJQJGXMPALFCGT-MRXNPFEDSA-N	413.502	5.646	30	20	HKED	
CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1cccc(Cl)c1	735231378	UMLCNVWRBKGEOW-UHFFFAOYSA-N	419.337	5.466	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc(F)ccc1F	741058630	GUFJWLCSTKYBEI-JTHBVZDNSA-N	405.448	5.893	30	20	HKED	
O=C(/C=C\c1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1)c1ccc2c(c1)COC2	742437001	PQONGEKYDQOQET-JTAXDKCCSA-N	422.480	5.539	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cccc(OCC)c1	742994113	QSQFPFQXLYIKFM-UHFFFAOYSA-N	423.351	5.372	30	20	HKED	
C[C@H](Nc1ccc(OCc2ccccc2F)cc1)C(=O)N(CCC#N)c1ccccc1	743474558	VFNMSIGQJHFPDR-IBGZPJMESA-N	417.484	5.152	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(Br)nc1	748547224	OZAKHWQYNULSHH-UHFFFAOYSA-N	424.323	5.144	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)c3ccc(OC)cc3)n2)cc1	750690121	BVZCEWIBCRKGFC-YWZLYKJASA-N	406.507	5.197	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](O)c1c(F)cccc1Cl	752680343	WFZOJCRMAXJPLA-QHRIQVFBSA-N	421.925	5.117	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2ccccc2nc1Br	760161290	CKYUIGITMNMESR-UHFFFAOYSA-N	423.314	5.313	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Br)ncc1F	762426461	PNOIRNTXZNVABY-ALCCZGGFSA-N	417.190	5.048	30	20	HKED	
Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(N4CCOCC4)cc3Cl)co2)cc1	762437180	CMEYLVUUWBSZGI-TWGQIWQCSA-N	408.885	5.036	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cnc(C3CCCC3)s2)cc1	767765136	WFCHSGJHTDJBLX-UHFFFAOYSA-N	403.964	5.220	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cccc(-c3cccnc3)c2)cc1	768484186	XYIFSASPGDRLOQ-UHFFFAOYSA-N	405.914	5.168	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1	769247701	ITMTWCQSPLTKCT-BEFAXECRSA-N	417.431	5.755	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2Oc2cccnc2)cc1	774575451	KWCDOLSYHPSKHW-UHFFFAOYSA-N	402.450	5.136	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	780468495	LYYLSUQZHXCDHF-MRXNPFEDSA-N	403.438	5.422	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N	780670067	NXKAOGJLJXFXSW-HOCLYGCPSA-N	406.511	5.292	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](COCc1ccccc1)c1ccccc1	780675663	FQIRBPJKZHBODQ-CVDCTZTESA-N	415.493	5.057	30	20	HKED	
C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccc(-c2cccc(C#N)c2)cc1	782487448	HUMOERPKTRQZJD-GOSISDBHSA-N	407.473	5.300	30	20	HKED	
N#Cc1ccc(CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C2CC2)cc1	785327988	IUGZOWGXRLKBJZ-UHFFFAOYSA-N	423.476	5.103	30	20	HKED	
Cc1nnc(-c2ccccc2C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)o1	786384926	ZRJYDOZVMZYIHJ-UHFFFAOYSA-N	423.472	5.102	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCOc3c(cccc3C(C)C)C2=O)cn1	792888482	ZECMHICCLSXQKG-AQTBWJFISA-N	400.478	5.324	30	20	HKED	
C=CC[C@@H](CCc1ccccc1)OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1	797564784	HPQLWJXZPBFJLO-QHCPKHFHSA-N	406.526	5.051	30	20	HKED	
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)C[C@@H](C(=O)O)c2ccccc21	806561688	YEJXZNBPYQKWBS-KWRJMZDGSA-N	405.431	5.162	30	20	HKED	
CC(/C=C/C(=O)c1ccc(N2CCC(O)CC2)cc1)=C\c1cccc(C(F)(F)F)c1	806570988	BQOSMIIAJXHPRF-HZBWFOIOSA-N	415.455	5.509	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])n2)c1	813086095	OCZRISYOQXBCGM-UHFFFAOYSA-N	419.249	5.149	30	20	HKED	
O=C(/C=C\c1nc2ccc(Br)cc2s1)c1cc([N+](=O)[O-])ccc1F	814190529	HRXDGIDCYRKWPN-WAYWQWQTSA-N	407.220	5.002	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc3cccnc23)c1	818268854	DHOVOZIWNAYLCF-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccc(C)cc2)o1	822203639	DZLSDAYURKHQDG-UHFFFAOYSA-N	410.857	5.112	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@]1(c2ccccc2)C[C@@H](F)C1	883978505	PEUHZZGKDCFXOE-VMUDFCTBSA-N	411.361	5.082	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353735	QIZCSNGHUQYBHQ-IIBYNOLFSA-N	405.448	5.845	30	20	HKED	
COc1cc(C=NNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl	916250840	ZTAPBKNRINOJPE-UHFFFAOYSA-N	423.900	5.121	30	20	HKED	
Cc1cc(C)c(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917045593	YGKMCGISSJNKPS-OAHLLOKOSA-N	418.440	5.496	30	20	HKED	
N#CCSc1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806702	OHSMVSPLPDEVFP-ZDUSSCGKSA-N	411.458	5.194	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	921137180	UVYUSIVEOVTVHV-SWLSCSKDSA-N	400.425	5.282	30	20	HKED	
CC(C)c1sc(NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)nc1-c1ccccc1	1643523148	OPFOMATUDYDNNO-KRWDZBQOSA-N	418.566	5.437	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1	1787616501	VPEDJBIMFWCUHV-UHFFFAOYSA-N	400.588	5.010	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@]3(F)Cl)cc2)CCC1	1791675270	VPULBLWHRXUZBK-JTSKRJEESA-N	406.929	5.037	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1828829320	GVRBNGZMXIOSLF-MSNJVRRCSA-N	414.634	5.201	30	20	HKED	
C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1	7224297	MZTDNRYXVFDJBK-MRXNPFEDSA-N	412.603	5.141	30	20	HKED	
N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3-c3ccccc3)cc2)cc1	14738888	MVBPWUKPERDJTF-UHFFFAOYSA-N	404.469	5.910	30	20	HKED	
Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccccc2)c(Cl)c1	22732840	XVZWDNMWAWBICU-UHFFFAOYSA-O	415.991	5.665	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1CSc1nc2ccccc2o1	25105548	JESBKRBFOULIEE-UHFFFAOYSA-N	413.502	5.264	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	26864835	HZWATWVLCOJACX-UHFFFAOYSA-N	411.505	5.151	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c3c(C)noc3n2)c(C)o1	41542162	XVLYXTKXWXSJKX-INIZCTEOSA-N	412.405	5.039	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O	45327477	AVHCKKOJIMUEFU-UHFFFAOYSA-N	409.898	5.183	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)ccc2Cl)cc1	55823625	JTMZXQNDECWFDP-UHFFFAOYSA-N	411.288	5.891	30	20	HKED	
C[C@@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc(C#N)cc1	58089493	PDTGSWJAEGYZOI-QGZVFWFLSA-N	417.534	5.072	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc(Br)c1O	96401769	MSZDLMFDGOGFOU-UQCOIBPSSA-N	401.178	5.078	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cccc(Cl)c2)cs1)c1ccc(F)cc1F	96924469	INYJFTGDSVRLMN-VURMDHGXSA-N	418.852	5.655	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	108458348	SZFQGMKZHOQEAF-LJQANCHMSA-N	405.350	5.462	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc2cc(Cl)ccc2s1	195664311	GFSBAAZIGPITGG-AWEZNQCLSA-N	409.923	5.487	30	20	HKED	
C[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2	207147143	NKDNSMKZSQLQNE-ZKMNFCBKSA-N	413.433	5.089	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(F)cc1Cl	303355813	YOZGSLCDZQKVBR-UHFFFAOYSA-N	423.875	6.115	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1	303562751	LNVRQVBKIPKKQL-XMMPIXPASA-N	411.505	5.290	30	20	HKED	
Cc1c(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)sc2ccc(C#N)cc12	428185053	LKZSNQFYBWMVPG-UHFFFAOYSA-N	401.369	5.494	30	20	HKED	
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N	428890575	UYHHWKGWLJEFDA-ZVDOUQERSA-N	422.598	5.113	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F	431832359	KNTSKCTZOWQVLS-FOIQADDNSA-N	415.509	5.976	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1	433738628	FMAVOXHIBZMPLP-UHFFFAOYSA-N	420.419	5.244	30	20	HKED	
C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1	436109135	XTTNXPXXPHJLRB-GOSISDBHSA-N	424.504	5.111	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl	436292644	BOAFFWUAAJILEM-ZQMYSKGWSA-N	401.934	5.017	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)Oc1cccc(Cl)c1	438069765	CMZJLTVIPZYGEI-CABCVRRESA-N	403.935	5.323	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(S(C)(=O)=O)cc1	442779825	JPMPKKCXEGCPSE-HNNXBMFYSA-N	410.470	5.066	30	20	HKED	
C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)c1cccc(C#N)c1	442907295	ZFXRQXQDUSSWSP-INIZCTEOSA-N	423.973	5.241	30	20	HKED	
CC[C@H](c1nnc(S[C@H](C)c2cccc(C#N)c2)n1-c1ccc(OC)cc1)N(C)C	442908640	NYFPBNRNFQXFQV-IIBYNOLFSA-N	421.570	5.014	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	444006578	BBSZNQNRWUYUHG-HNNXBMFYSA-N	413.502	5.185	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)s1	460552838	GXIDFYRNRXEPCP-FQEVSTJZSA-N	408.571	5.282	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N	463745791	MBZISIFNRVYHIH-CYBMUJFWSA-N	406.349	5.336	30	20	HKED	
CSc1cccc([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1	464123792	VFMLOGBFQRVEPM-XMMPIXPASA-N	422.500	5.397	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1F	464653794	WULJFNFNCPDKQR-UHFFFAOYSA-N	405.376	5.021	30	20	HKED	
Cc1csc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)n1	466093086	OKEGYCKDAYCDRK-FQEVSTJZSA-N	404.495	5.388	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N(CC)[C@H](c1ccc(Br)cc1)c1cccnc1	466879194	YHJSFYGZMHMNLP-OXJNMPFZSA-N	401.348	5.384	30	20	HKED	
CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1	470594822	NZBMTZZXEIEVCN-IXCHTMLJSA-N	410.606	5.108	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)cc1	474902827	ZVGKZXAFNKVBBQ-VWLOTQADSA-N	416.565	5.394	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	475317527	NENOYFSXTZNKTN-UHFFFAOYSA-N	404.853	5.246	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1	475585610	WCBOHUJFEUMKGA-HSZRJFAPSA-N	409.489	5.472	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(F)c(F)cc(F)c1F	480898273	MSIZGNLFYZJVKK-UHFFFAOYSA-N	414.358	5.254	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1ccc(C)cc1	481338446	JDEWLXLRSFVBKO-UHFFFAOYSA-N	411.481	5.477	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cn2)cc1	483214056	CUTPANKYFATJMW-FQEVSTJZSA-N	422.488	5.605	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccccc1	487346288	ORPJJUYUTPRAFB-IBGZPJMESA-N	412.415	5.056	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](CN4CCCCCC4)C3)c2)cc1	487952610	SSVQLEHVOBCELD-QFIPXVFZSA-N	417.553	5.079	30	20	HKED	
CC[C@@H](NCc1cc(C#N)ccc1Br)c1nc(C(F)(F)F)cs1	491760806	IECNXASPIUCEPR-GFCCVEGCSA-N	404.255	5.037	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	495469192	CUTCXZUYOMJSTO-SFHVURJKSA-N	417.534	5.427	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)sc2c1CCCC2	499328978	UOLDXFMAIIRJMM-CABCVRRESA-N	401.329	5.003	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3csc(-c4ccccc4Cl)n3)CC2)cc1	503981643	ULGHKQVZBOPRBX-UHFFFAOYSA-N	405.910	5.265	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1nc2ccccc2o1	505456842	FGDRAXCESVSPFL-IBGZPJMESA-N	407.404	5.672	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1	507787549	GZSJRDYALZMPAF-QFIPXVFZSA-N	407.514	5.503	30	20	HKED	
CCN(C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccc(C#N)cc1	510356655	FSYOWDWPJMLGER-UHFFFAOYSA-N	416.264	5.099	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)SCc1csc(COc2ccc(C)cc2)n1	511020785	ZWIXLWBSQACXGY-KRWDZBQOSA-N	404.601	5.077	30	20	HKED	
Cc1ccc(/C=C\c2cc(C(=O)N[C@H](C)CC#N)c3cc(Br)ccc3n2)o1	512010484	PSYYDSCRQFUCBW-SCXUMTSISA-N	424.298	5.101	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)NCC#Cc1cccc(F)c1	512189361	KGSDMEFOTJGDEW-QGZVFWFLSA-N	407.514	5.012	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Cc1ccccc1Cl	513808298	QLRPFMRHBFWDQQ-INIZCTEOSA-N	405.885	5.525	30	20	HKED	
CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1	518139662	VDWNBDFEKFXBKI-IBGZPJMESA-N	418.324	5.097	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCC2(CCOCC2)C1	519713828	NSTXQLUYHFYROU-OAQYLSRUSA-N	424.589	5.008	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	519988401	QOSYQEYNGVQDOY-QGZVFWFLSA-N	401.466	5.584	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	524505118	MIPQIDSFXHYBKK-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
CO[C@H](C)CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(C)C	524895722	OKQCYRCDYXFSHV-MRXNPFEDSA-N	415.921	5.068	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccc(F)cc1	524915143	VOKLPPRZRZQQHK-HNNXBMFYSA-N	406.486	5.779	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CCCCOc1cccc(C#N)c1	525530758	YTOGZGSRHVBBLQ-UHFFFAOYSA-N	413.521	5.218	30	20	HKED	
Cc1ccc(-n2c(SCc3nnc(-c4ccc(C#N)cc4)o3)nc3ccccc32)cc1	525623060	ZBKSJJDMCKOYDB-UHFFFAOYSA-N	423.501	5.548	30	20	HKED	
N#CCc1ccnc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)c1	531924521	FZJXDQLLCDTIKE-UHFFFAOYSA-N	417.465	5.578	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C#N)cc2Cl)nn1-c1ccc(Cl)c(Cl)c1	537464546	UKLRSIIVSXMGSQ-UHFFFAOYSA-N	405.672	5.265	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(OC(F)(F)F)cc1	538255116	QRIRLKXOZHHGMA-CQSZACIVSA-N	422.712	5.252	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NCCSCc1ccccc1C#N	549373767	ISYHMLNXVICVGE-UHFFFAOYSA-N	420.513	5.123	30	20	HKED	
Cc1c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cccc1-c1ncco1	552710008	HGWBYBOWFYPKHT-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(COC(C)(C)C)c1C	558351104	GOXKSVMNQDLHIA-UHFFFAOYSA-N	412.578	5.698	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	559951560	XHMSTBYNRDPOOL-UHFFFAOYSA-N	419.350	5.187	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	560600100	LURYNSLINCTPIL-UHFFFAOYSA-N	419.399	5.269	30	20	HKED	
Cc1noc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	561452464	VANDTRFFJIPRIQ-GOSISDBHSA-N	422.872	5.063	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)s1	564119106	YXPOMKKAZBDNCH-ZDUSSCGKSA-N	421.364	5.308	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccco1	565965858	YWJCUKLRPGZPSH-LBPRGKRZSA-N	401.442	5.322	30	20	HKED	
COc1ccc([C@H]2CCCCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	567497805	OHVYOLWLYDLNEF-OAQYLSRUSA-N	423.582	5.063	30	20	HKED	
Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)CCCC(=O)Nc1ccccc1C#N	588839098	MSZGQKPFLKWZCD-FQEVSTJZSA-N	405.542	5.221	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nc(O)c2c(-c3ccc(F)cc3)csc2n1	603549115	QCFBNJYCMIGJQC-INIZCTEOSA-N	407.495	5.430	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)on2)cc1	604003653	QTGFXTODTKEBRZ-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604499713	KRKYSGMNFZWDAS-JOCHJYFZSA-N	400.482	5.751	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(COCc3ccccc3)cc2)cc(OC)c1OC	607555120	MPYDJLKCZMSZGN-UHFFFAOYSA-N	417.505	5.401	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1OC	607678659	NDEKNTVDVIZDBG-UHFFFAOYSA-N	403.478	5.229	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)nc2ccccc12	608876876	YTCZYEUXTOSPHP-UHFFFAOYSA-N	420.472	5.732	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-c3cccs3)o2)cc1	609055956	YHARARSWZJTXNQ-UHFFFAOYSA-N	400.459	5.711	30	20	HKED	
N#Cc1c(NC(=O)Cc2coc(-c3cccs3)n2)sc2c1-c1ccccc1CC2	609262210	USLGMSWCUXHABA-UHFFFAOYSA-N	417.515	5.283	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)cc1Cl	609384892	PVYZABPRWKRWIB-CQSZACIVSA-N	422.381	5.458	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	609384964	ZLLLMGFJPDMWFC-QZTJIDSGSA-N	407.583	5.106	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Cl)c1	609432377	FTYHVARXBWFNFC-MRXNPFEDSA-N	405.885	5.752	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	610587728	VUZAJTJGCKUAJW-IUCAKERBSA-N	411.708	5.076	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F	611183775	KVCWIRWAGLYFJO-UHFFFAOYSA-N	413.449	5.659	30	20	HKED	
CC(=O)N(C)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	611816038	XJQDRYGEJWRILV-QGZVFWFLSA-N	412.493	5.091	30	20	HKED	
N#C[C@H](C(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	612894896	YWMZLIKENRTAAP-OAHLLOKOSA-N	406.816	5.972	30	20	HKED	
Cc1ccnn1-c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	613319376	YPQAGCZTIOCWGP-LJQANCHMSA-N	418.909	5.448	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)s1	642282334	FMDPEESVCCJADV-AWEZNQCLSA-N	408.433	5.353	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1F	726860029	WRJQHOHQSACIEO-TZMCWYRMSA-N	400.425	5.597	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)c4ccc(C)cc4)cc3)o2)cc1	726940291	CNOGKWDSWAKHIA-UHFFFAOYSA-N	422.488	5.581	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C4SCCS4)c3)o2)cc1	727985753	JDYGNTDNKFNUPH-UHFFFAOYSA-N	422.531	5.461	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2o1	730690893	ZOJTXHNISDINJG-KSFYIVLOSA-N	420.827	5.617	30	20	HKED	
C#CCOc1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	730983109	VAPIFDPYASCZLL-UHFFFAOYSA-N	416.424	5.022	30	20	HKED	
CCN(C(=O)c1oc(COc2ccc(C=O)cc2)cc1C)[C@H](C)c1ccc(C#N)cc1	731616433	LUSMJYRJRHSULF-GOSISDBHSA-N	416.477	5.075	30	20	HKED	
N#CCOc1ccc(COC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1	733546759	IYOVCCYYDUQYBF-UHFFFAOYSA-N	421.880	5.107	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1	734063541	IRAXAIQMQHPMHS-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)OCc3cc(Cl)ccc3OCC#N)o2)cc1	735332974	LOCRBZYCUMZIAP-UHFFFAOYSA-N	409.825	5.062	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CSc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	735770599	UKMZJOAWEDJRKX-CHWSQXEVSA-N	404.438	5.381	30	20	HKED	
CC(C)[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccn1	736507188	BFDMKVYLGLBBMB-JOCHJYFZSA-N	405.885	5.526	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	740647099	BTHYUOPCBNYXQP-SBUREZEXSA-N	402.519	5.470	30	20	HKED	
CCCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	741090956	ZOKUKTSTMKRBGA-FCEUIQTBSA-N	423.582	5.022	30	20	HKED	
C[C@@H](NCc1ccc(OCC#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	743475517	VDYJVEDZYACXQC-GFCCVEGCSA-N	402.338	5.477	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC	743478067	XMJFKCKPMUANIX-VGSWGCGISA-N	404.510	5.389	30	20	HKED	
C[C@]1(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCc2ccccc2C1	744038445	VBMPEUKXHBDPER-IERDGZPVSA-N	414.452	5.687	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Oc3ccccc3)ccn2)cc1	745948258	YFLMOSLKEADVCI-JTSKRJEESA-N	413.477	5.349	30	20	HKED	
COc1sc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cc1Br	746520235	MWTBKCWDRSSMTO-VOTSOKGWSA-N	400.297	5.477	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)[C@@H]1CCc2ccccc21	747527465	APJNITONDHIGPY-JOCHJYFZSA-N	419.525	5.090	30	20	HKED	
CC(C)(C#N)CCCSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1	747805703	ZWXCGLCBYDHPFX-HKWRFOASSA-N	407.514	5.633	30	20	HKED	
CCn1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21	748483901	YNHDQOUWSUMFHC-IBGZPJMESA-N	419.937	5.857	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1cc(C)on1)c1ccc(C(F)(F)F)cc1	749872050	RQYWCAHVETZJNU-IEBWSBKVSA-N	407.436	5.556	30	20	HKED	
CCCCCCCCC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1	751140416	RWSRXFOJIGAUSI-UHFFFAOYSA-N	423.395	5.377	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)c(F)c2)cc1	751602441	NHRZPFFTZCXJAJ-LJQANCHMSA-N	423.285	5.425	30	20	HKED	
C#CCOCCC(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C	756486965	KPEHZRVECWIRPE-UHFFFAOYSA-N	404.535	5.440	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1nc2ccc(Cl)cc2n1C	760243128	XVIVPRJCPLZMJC-UHFFFAOYSA-N	418.810	5.025	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c1	760441591	QXYGQYRPIMBJFR-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(-c2ccoc2)c1	760571192	HNBZSKQLTYNBIQ-INIZCTEOSA-N	420.490	5.136	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(C)C	761812166	IWNKOSYCXLJTCN-NRFANRHFSA-N	421.463	5.306	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1	762628062	LYIXEFWMMKFZBO-NSHDSACASA-N	419.230	5.837	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCc1cccc(C(F)(F)F)c1	769911228	XEKOMUDVWDWNEP-UHFFFAOYSA-N	411.427	5.164	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1	772087355	UTIGAQHYUMDLJR-UHFFFAOYSA-N	405.498	5.042	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3ccccc3)nc2C)ccc1OC	772979857	OBAXOZYXTBHPEH-OXQOHEQNSA-N	421.566	5.659	30	20	HKED	
C=CCC[C@H](C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1ccccc1	777644167	DOWYINNQSWMOTO-LEWJYISDSA-N	404.466	5.244	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1	778609091	KIDVIRXSDBOPAY-UHFFFAOYSA-N	419.525	5.243	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cn1	779019052	CZBHVVRIMLVCQI-JOCHJYFZSA-N	414.509	5.236	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12	780149426	OXOASVJJOOJZIX-INIZCTEOSA-N	411.436	5.584	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCCC1	780149716	QYLRJEHFAYFPRH-OAHLLOKOSA-N	413.315	5.190	30	20	HKED	
CCC(CC)(CNC(=O)Nc1ccccc1O[C@H](C)C#N)N[C@H](C)c1ccccc1	780673059	NFFDZXDIZYTHOT-RTBURBONSA-N	408.546	5.009	30	20	HKED	
N#CCOc1ccc(CN[C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)cc1	781423022	OLTMSGBTTSCTNF-QFIPXVFZSA-N	414.402	5.626	30	20	HKED	
N#CC1(COC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)CCOCC1	781545840	SYJZGRCQTALGGE-UHFFFAOYSA-N	424.255	5.402	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3cc(F)ccc3C2=O)cs1	781553587	BNEBQDKXDVFSJU-WJDWOHSUSA-N	422.481	5.324	30	20	HKED	
COc1ccc2c(c1F)C/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	809158214	YYLATIGJDQMSPB-RVDMUPIBSA-N	421.855	5.562	30	20	HKED	
C=CCOc1ccccc1CNCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C	820803140	QKNRUWDZFHXYEJ-UHFFFAOYSA-N	408.542	5.229	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	915086070	HBBUFSAIVGBXAM-SANMLTNESA-N	418.496	5.217	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC	916136606	XGOJSGCCDJEODO-BQYQJAHWSA-N	420.259	5.051	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(F)cc2F)cs1	916248057	HVCDPRKWLKHNDB-UHFFFAOYSA-N	400.454	5.169	30	20	HKED	
CC(=NNc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccccc2C)cc1	916594172	WUUNUEXBMAIEOB-UHFFFAOYSA-N	407.901	5.502	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3c[nH]c4ccccc34)n2)cc1	920140913	GNBSIPMSEQVIDD-HXUWFJFHSA-N	410.502	5.362	30	20	HKED	
Cc1cccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920141781	QWIDNRAEKJWGEY-HXUWFJFHSA-N	401.491	5.026	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCSC3)cc2)CCC1	1792286471	YJLSKSIQUGVOTM-RXVVDRJESA-N	412.599	5.032	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1824144888	LPMQKIWZDRLCHQ-AGILITTLSA-N	414.634	5.201	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826268649	JSXSXNCWGYHBQC-ZEQRLZLVSA-N	414.634	5.345	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832556125	QZVGQIWXHONHCH-CYFREDJKSA-N	408.586	5.010	30	20	HKED	
O/C(=N\c1nnc(SCc2ccccc2)s1)c1ccc(Br)s1	21345225	OGRZTNJIUANOPC-UHFFFAOYSA-N	412.359	5.291	30	20	HKED	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1	27390865	XZTHFAZEXGPAHT-UHFFFAOYSA-N	419.531	5.193	30	20	HKED	
C=CCN(C(=O)c1scnc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	55047651	XWNOLCCRIDLGGF-UHFFFAOYSA-N	410.351	5.715	30	20	HKED	
COc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	56800261	KVUVVXRYGMHYQJ-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2nc3ccccc3s2)o1	63250513	IPVKCHZAKGWNKR-UHFFFAOYSA-N	419.462	5.293	30	20	HKED	
C=CCN(C(=O)[C@@H](C)OCC1CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	64782129	JFQYDQSXBZCDDC-GFCCVEGCSA-N	411.354	5.451	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCCc1nc(-c2ccc(F)cc2)no1	106285833	CTADDCOLJIGZAP-UHFFFAOYSA-N	419.909	5.128	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1	195557435	JKKUPDKMPLOGEM-INIZCTEOSA-N	422.460	5.282	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1NCc1cccc(NC(=O)c2ccncc2)c1	301335952	CXLLYKHDNBRNPA-UHFFFAOYSA-N	413.868	5.019	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cccc(SCC#N)c2)cc1	430913119	RRKODCTVXDNZGS-DEOSSOPVSA-N	415.562	5.511	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	437353457	CTLJJEAEFTWCFG-NSHDSACASA-N	409.389	5.260	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C)cs1	438660383	IRRMEJNESFTSMA-JOCHJYFZSA-N	424.501	5.702	30	20	HKED	
C=CCn1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccc(F)cc1	446053639	MSHYXJGHSBNQCW-AWEZNQCLSA-N	407.474	5.174	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)C[C@@H](Cc2ccccc2)c2ccccc2)CC1	460714210	OPQUYGGTHZQSBU-AREMUKBSSA-N	423.560	5.014	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3)s2)nnc1-c1cccc(C)c1	463797060	HEJGXACFKBQJPR-UHFFFAOYSA-N	405.552	5.250	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1	464726491	STVWBAHGVGVGKR-UHFFFAOYSA-N	416.378	5.084	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1	466317926	OOXLONSUODZTQR-CYBMUJFWSA-N	417.296	5.899	30	20	HKED	
CCCN(C(=O)Nc1ncccc1OCCCC#N)[C@H](C)c1cc2ccccc2o1	466600024	NDGWWECKFATAEL-QGZVFWFLSA-N	406.486	5.515	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3c(F)cccc3Sc3ccccc3)CCO2)c1	468004074	KYZAAPCEVCTSJC-NRFANRHFSA-N	418.493	5.062	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	468325728	DMKDQWFZZXRSPT-OPHFCASCSA-N	416.569	5.678	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(-c2ccncc2)c1	469243880	QFIWBCVDYATGTA-IBGZPJMESA-N	410.521	5.505	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCOc4c(Cl)cccc43)ccc21	469265751	UDYFVLWZQXDART-HXUWFJFHSA-N	409.917	5.249	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(-c2ccncc2)cc1	470020164	XDKUMJWFNGGOBA-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cn(CCCC#N)c2ccccc12	470310571	VVAMIQUTPWMUBO-FQEVSTJZSA-N	413.443	5.677	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c(C)c1	471921884	KHWZROQZJOETRJ-QUCCMNQESA-N	422.598	5.316	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	472816359	UXQXNXZCVHNNJQ-MJGOQNOKSA-N	404.491	5.046	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	475309083	FVBWXNQTLCWTBG-UHFFFAOYSA-N	404.853	5.246	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1	475559115	CGQHQNXLANUPRC-LJQANCHMSA-N	411.590	5.041	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)Nc1cccc(OCCCC#N)c1	477973628	YLVYOMFEFNDWAE-UHFFFAOYSA-N	402.292	5.338	30	20	HKED	
Cc1cc(C)c(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)o2)c(C)c1	483273240	VUZUYANLBWASJU-SFHVURJKSA-N	420.538	5.089	30	20	HKED	
COc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl	484894513	ZVGPTNBHRNNBPL-UHFFFAOYSA-N	422.937	5.443	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cc(F)cc(Br)c1	485637608	PGFSHWDSSWYBPI-GOSISDBHSA-N	401.279	5.024	30	20	HKED	
COc1ccc(-c2nc(CSCc3ccc(C#N)cc3F)cs2)c(OC)c1	497846218	KVBPSDNGWNKYRP-UHFFFAOYSA-N	400.500	5.271	30	20	HKED	
C[C@H](NC(=O)[C@H](C)[C@H]1OCCc2sccc21)c1ccc(-c2cccc(C#N)c2)cc1	498947431	LRRWWMZLAIHOLA-XVTZWQNCSA-N	416.546	5.414	30	20	HKED	
C=CCN(C(=O)c1ccc(Cl)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	499131645	QRNUOJKUOSIBMK-UHFFFAOYSA-N	417.849	5.344	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	499430872	LCRQVMMVDHZINI-VBQJREDUSA-N	424.125	5.240	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)COc2ccc(C#N)cc2)c(C(F)(F)F)c1	499543946	YJRVXUQNISIAKB-ZDUSSCGKSA-N	408.445	5.485	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2CCCC2(C#N)CCOCC2)c1	499625423	LWCMMGZHPFVHGE-LOSJGSFVSA-N	404.554	5.326	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1)O[C@@H](C)C2	499956512	RBNGMUDCZPCLTL-JWNTYJGQSA-N	418.537	5.073	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1	500112502	OALLUWGPJNPCBB-WZONZLPQSA-N	400.482	5.279	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)NCC(C)(C)CCC#N)c2cccc(Cl)c2)cc1	500605912	TZCQNBFBAGYJLC-OAQYLSRUSA-N	413.949	5.457	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3-c3ccc(F)cc3)n2)cc1	504561812	VMAFHVLLRBDBIM-LJQANCHMSA-N	418.449	5.708	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C	505022796	HGDOPEAMANBOOJ-UHFFFAOYSA-N	408.502	5.249	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1	505034322	BPONMJSOXWZUEE-UHFFFAOYSA-N	423.497	5.094	30	20	HKED	
Cc1csc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	505450000	XZGJXNFTIPUBFN-NSHDSACASA-N	409.323	5.128	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1	505809157	MGVOZWKFYGZAJH-IBGZPJMESA-N	411.427	5.546	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	505928995	XYJRNZNFFSWTPU-OAHLLOKOSA-N	410.282	5.008	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@]2(CC=CCC2)C1	508789086	GFYZZFGEYOKGJI-HSZRJFAPSA-N	410.587	5.092	30	20	HKED	
Cc1ccc2c(C3=CCN(Cc4cn(CCC#N)nc4-c4ccccc4)CC3)c[nH]c2c1	509550471	VRUVULZTGZFSSN-UHFFFAOYSA-N	421.548	5.543	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC=C(c3ccccc3Cl)CC2)c1	509733855	HLHXURCPUGWXFA-UHFFFAOYSA-N	418.880	5.313	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1	511741277	MLEQKEIESBSOQF-UHFFFAOYSA-N	424.500	5.377	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H](CCC#N)c1ccccc1	512044559	GCXPXCMAJSZJNA-KDOFPFPSSA-N	423.866	5.711	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2	512147571	OKSYYQPTCIPPSI-UHFFFAOYSA-N	411.527	5.246	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	514510512	RBYVATXSCSQPAB-UHFFFAOYSA-N	412.518	5.423	30	20	HKED	
Cc1ccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(Cl)c1	514650583	VWZPKCXNMSJPMX-UHFFFAOYSA-N	423.925	5.395	30	20	HKED	
COc1c(Br)cc(Cl)cc1NC(=O)C[C@H](CC#N)c1ccccc1	515539634	LNBUJDZLZUBUQD-ZDUSSCGKSA-N	407.695	5.137	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccccc1	517467165	NWSXYJBEGGEAOF-YLJYHZDGSA-N	423.582	5.171	30	20	HKED	
Cc1cc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)s1	518026467	KIPJCMQFHICPNF-MRXNPFEDSA-N	406.576	6.020	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	518756697	GEKMTZHGTKEOTF-IAGOWNOFSA-N	413.612	6.464	30	20	HKED	
CCOc1ccccc1CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1	520467998	BMOKLONGQRQSDA-UHFFFAOYSA-N	416.546	5.521	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	520801469	AXONACGXENCRQX-LLVKDONJSA-N	401.340	5.046	30	20	HKED	
CC(C)CN(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	521206699	PQNSLGJTLQLLIZ-UHFFFAOYSA-N	405.420	5.189	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1cnn(C(C)C)c1	522132743	GGVRHFVYQVUTJL-KRWDZBQOSA-N	403.486	5.319	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1	525137305	NNGYKKFYSMERBR-ZIAGYGMSSA-N	419.344	5.107	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)CC1CCCCC1	535205908	JWFSWUWEJBBART-UHFFFAOYSA-N	411.615	5.958	30	20	HKED	
N#Cc1ccc2ncc(CNCc3ccccc3-c3ccc(Cl)cc3Cl)n2c1	538410070	RGETXPLBNRLLGT-UHFFFAOYSA-N	407.304	5.470	30	20	HKED	
COCc1cc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F	542032558	IWVJIZIYQHUPAL-QGZVFWFLSA-N	417.484	5.071	30	20	HKED	
O=C(C[C@H]1CCCO1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542156028	ZGETWHWTMFJMIN-DGCLKSJQSA-N	423.275	5.013	30	20	HKED	
C[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccc(-c2cccc(C#N)c2)cc1	542944646	BSNREHVFCHUYCQ-INIZCTEOSA-N	414.896	5.779	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ncccc3-c3ccccc3)c2)c1	543735190	DEXBAVFEXXBHEN-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
N#CCCC[C@@H](N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1	551223904	ZIWGQFYGDWSUKA-RTWAWAEBSA-N	405.542	6.351	30	20	HKED	
CC[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1nc(C(F)(F)F)cs1	551625093	XOPGUVXEQIMDRA-LBPRGKRZSA-N	409.458	5.438	30	20	HKED	
COc1ccc(CN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)C2CC2)c(OC)c1	555186306	RHADQZKHQSOWCJ-WZONZLPQSA-N	421.541	5.059	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OCC(C)C)CC1	555242393	MADUGPMURXNIKZ-UHFFFAOYSA-N	419.573	5.019	30	20	HKED	
N#CCCn1cc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c(-c2ccccc2)n1	555349840	IKUAJRVRECEZAJ-LJQANCHMSA-N	402.464	5.018	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@](C)(C#N)C3CCCCC3)cc(-c3cccs3)nc21	557898740	DWRKFQURICFBAR-HSZRJFAPSA-N	421.570	5.333	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(Cl)sc2[nH]1)c1nc(-c2c(F)cccc2F)cs1	578942906	RTFXACICXAKNMW-VIFPVBQESA-N	419.865	5.775	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)sc2c1	591020111	UOMFSGOSOBAZPU-LBPRGKRZSA-N	415.852	6.098	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1	604929865	ZGOSPVRZOYUNIL-GOSISDBHSA-N	413.820	5.635	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCSc2ccccc21	607815208	OYIFXIXPHSQRPH-KRWDZBQOSA-N	420.347	5.382	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)n1	609428585	QESDZIQFKXPPSE-SFHVURJKSA-N	404.539	5.195	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(OC2CCCCC2)c1	609435188	XDWJCAOUUARAPI-QGZVFWFLSA-N	424.570	5.509	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	609570823	NRHZQDKLJGSPMP-IAZYJMLFSA-N	423.307	5.706	30	20	HKED	
CC[C@@H](C)n1c(SCc2nnc(-c3cccc(C#N)c3)o2)nnc1-c1ccccc1	610217955	MRSSUFQOFIAYCA-OAHLLOKOSA-N	416.510	5.130	30	20	HKED	
C[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1	610350333	RKOLLZRSAFAHLW-ROUUACIJSA-N	417.484	5.398	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1nc2ccccc2o1	611212178	RBYPDKHRZWKGGX-MRXNPFEDSA-N	407.451	5.261	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	618845585	FDACCVMQMMEIHJ-HTAPYJJXSA-N	401.535	5.580	30	20	HKED	
CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OC	726428133	FQJGCBXEBZEQBV-SOFGYWHQSA-N	417.889	5.001	30	20	HKED	
C=CCn1c(SCc2cccnc2Cl)nnc1-c1ccc(Br)cc1	727054143	DXAZTUBXWVXNMN-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728299456	RTVRIBFNLCXWLJ-SFHVURJKSA-N	417.484	5.332	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1Cl	729319244	IRBODIAJXIQNPY-LJQANCHMSA-N	413.864	5.089	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccccc1	730687479	XIIFMZCRGXEYHD-WXVAWEFUSA-N	406.485	5.794	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	730989154	HZDGJWFNIWMCFZ-DPCFLFMUSA-N	408.523	5.164	30	20	HKED	
COc1ccc(N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1F	731030635	SXRBCRDCEFFFKC-INIZCTEOSA-N	415.534	5.082	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@H](C)C1CCCCC1	731076935	ISHYTOFVSLLDNN-IRXDYDNUSA-N	402.560	5.169	30	20	HKED	
COc1cc(C2(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)CCCC2)ccc1C	731138435	QAASLSOXZFGHCK-KRWDZBQOSA-N	408.498	5.441	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Cl)ccc1Br)c1ccc(Cl)c(Cl)c1	733154204	GZGWEFPZTWRNDK-CQSZACIVSA-N	418.505	5.404	30	20	HKED	
N#CCOc1ccc(COC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1	733410679	SJFXRRYJTJHVHH-UHFFFAOYSA-N	416.458	5.329	30	20	HKED	
C=CCN(CC1CCCCC1)Cn1nc(-c2ccc(OC)cc2)c2ccccc2c1=O	734474470	TVRKEJOSIVHNGM-UHFFFAOYSA-N	417.553	5.098	30	20	HKED	
C=CC[C@H](NC(=O)N(CCOC)[C@H](C)c1cccc(C(F)(F)F)c1)c1ccncc1	734679989	LPAATIBZAIGEMH-UZLBHIALSA-N	421.463	5.137	30	20	HKED	
CCN(CC)C(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccccc1	734849928	PSHVEXPYRXATKE-VWLOTQADSA-N	413.521	5.159	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)c1cc2ccccc2n1CC#N	739593061	ZWAWNJYSMMGLHX-QGZVFWFLSA-N	415.518	5.439	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(SCC(F)(F)F)cc1	741840958	CLGQABZUIABKBE-RMKNXTFCSA-N	412.429	5.263	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)COc1ccc(C2SCCCS2)cc1	743683165	AFUGUTKZTNZSEB-UHFFFAOYSA-N	413.608	5.191	30	20	HKED	
CC/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C)cc1	745125436	ITIVKHLAIFKZGA-AQRXXJNJSA-N	422.550	5.365	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3cc(F)ccc3C2=O)cs1	747440977	WVCQTSNGYJGUKN-SFQUDFHCSA-N	406.482	5.488	30	20	HKED	
CC(C)n1ncc2c(C(=O)O[C@H](C)c3ccc(C#N)cc3)cc(-c3ccco3)nc21	748677228	MAFNVRDAAYQWRU-OAHLLOKOSA-N	400.438	5.062	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2SCCc3ccccc32)cc1	749613201	QJNCAHPIXJKTSZ-BJKOFHAPSA-N	413.546	5.494	30	20	HKED	
C[C@@H](CC#N)NC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	751392908	KVRHGEMBMHOZRD-PSRBBBRCSA-N	402.519	5.286	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21	753912922	HAOVSUSPDGWMOM-PIPMEXSNSA-N	402.538	5.448	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	756232320	SOTFJXNOVHOBAC-CYBMUJFWSA-N	423.271	5.814	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN[C@H](c2ccccc2)C(C)(C)C)c1=S	764890524	NJVPPOPVGAPNQP-HXUWFJFHSA-N	407.587	5.387	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F	764904717	XKKGSRIIWAUUSI-LURJTMIESA-N	413.289	5.104	30	20	HKED	
C[C@H](OC(=O)c1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F	768096064	RYQZQQGIFNBLKD-VIFPVBQESA-N	423.284	5.047	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3ccccc3Cl)CC2)c1	768728576	LQVFOPJBEZEUQX-IBGZPJMESA-N	409.917	5.020	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	771433545	LEVQCTVJAUYNMQ-CQLNOVPUSA-N	417.484	5.379	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)n1	772674266	BPWDQOKBFOPPEX-DENIHFKCSA-N	401.535	5.247	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2cn(C)c3ccccc23)cc1	773978076	QYKBNMZGQBHXDE-FVJLSDCUSA-N	401.510	5.143	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCCC(C)(C)C#N)c3cnn(C(C)C)c3n2)c(C)s1	776364479	RVCWZECYHJPCHM-UHFFFAOYSA-N	410.543	5.454	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)sc2nc(C(F)(F)F)ccc12	780149486	CNXWSHNGUZCREY-JTQLQIEISA-N	405.401	5.167	30	20	HKED	
N#CC1(COC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)CCOCC1	780547249	HDUWCUXQBYRGBZ-UHFFFAOYSA-N	408.256	5.277	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F	781459865	BLIVHPYIEGNRPN-VBKZILBWSA-N	413.399	5.556	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1OCC	783339123	CEFVMJCOLTYHDG-IBGZPJMESA-N	402.494	5.186	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1ccc(Br)cc1	783729059	BAUUYZAZNQCPHW-UHFFFAOYSA-N	422.351	5.724	30	20	HKED	
O=C1/C(=C\c2ccc(OCc3ccncc3)cc2)CCc2nn(-c3ccccc3)cc21	794957914	QBDDTCQUXCARGU-PGMHBOJBSA-N	407.473	5.059	30	20	HKED	
COc1cccc(C(=O)CCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	796757380	XEAPKIOMHJMQAV-INIZCTEOSA-N	412.898	5.188	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)s1	797570696	JAAIPMNNFYXSPK-YTBHAWNYSA-N	410.539	6.058	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	798010365	JFGXFXXWWDVPLW-VBQJREDUSA-N	415.386	5.075	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)/C=C\c1ccccc1C#N	799739401	WWCUXZNMDHWHCK-YPKPFQOOSA-N	424.529	5.144	30	20	HKED	
Cc1ccccc1[C@]1(F)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	800519029	IWKVHIBEBSJODG-BVAGGSTKSA-N	413.496	5.753	30	20	HKED	
N#Cc1csc(CN[C@@H](c2ccc3c(c2)CCO3)c2cc(Cl)ccc2Cl)n1	810146436	QYKRIIWATIKQBA-FQEVSTJZSA-N	416.333	5.136	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(Nc3ccccc3)s2)cc1	855084701	BFGMTWOZNJOUIJ-MRXNPFEDSA-N	423.567	5.018	30	20	HKED	
C[C@H](OC(=O)c1ccccc1CC#N)C(=O)N1c2ccccc2Sc2ccccc21	855396456	ILKFPYJEEIIUDJ-INIZCTEOSA-N	414.486	5.127	30	20	HKED	
CC[C@@H](C)c1ccc(-c2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)c3ccccc3n2)cc1	914533412	OIIHOGDDCXDELN-OAHLLOKOSA-N	420.476	5.134	30	20	HKED	
CCOc1c(Cl)cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1OC	915849074	UWVHCWHFOZWAPK-GZTJUZNOSA-N	416.930	5.256	30	20	HKED	
Cc1ccc(C(C)C)cc1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	916927620	MOEJJKWECASKBA-INIZCTEOSA-N	419.308	5.152	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)sc21	917024887	BPJRBXBYKHHVSA-KRWDZBQOSA-N	413.527	6.007	30	20	HKED	
CCC(CC)CN(CCC#N)CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1	1653501457	NJLKIBYBXWKRLA-UHFFFAOYSA-N	418.994	5.362	30	20	HKED	
CCCC1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1	1709537133	JGMPBGBEPRDCEA-DEOSSOPVSA-N	421.589	5.000	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1	1789155183	ZFNPINNMQFALTJ-SFTDATJTSA-N	408.929	5.154	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)[nH]n3)CCC2)cc1	1789456875	YLUNQPXXROPYFU-FQEVSTJZSA-N	420.557	5.049	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1	1789624262	QOSMQKRMEXIMDZ-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)C2)CC1	1809164165	WKROKCBWJOTFHF-WPFOTENUSA-N	424.629	5.260	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C)n[nH]1	1820472492	BYYPEPQBPNBWIO-HXUWFJFHSA-N	408.546	5.016	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)CC1	1823687701	LSJROAZBKUTGEW-VQTJNVASSA-N	424.576	5.034	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1	1831371619	XDUARHCHYPHNMO-NBGIEHNGSA-N	418.581	5.285	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccccc2CC)c1	10174659	WTQRVUVJVJCQBM-UHFFFAOYSA-O	420.602	5.105	30	20	HKED	
N#CCc1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)cc1	20054135	WDWYUOBCXOVSBI-UHFFFAOYSA-N	416.531	5.155	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cc(C)cc(C)c2)cc1	22730243	LHIANARSMGODRB-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccoc1C	23519262	UDSBYJWZHXZDRQ-MRXNPFEDSA-N	424.570	5.277	30	20	HKED	
C=CCN(C(=O)Cc1csc(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	26769961	ILMUPSCEXJNAQB-UHFFFAOYSA-N	424.378	5.644	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCSc2ccccc2)cc1	48161627	SIRMRLMWHWJPEA-UHFFFAOYSA-N	417.534	5.245	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	55823977	ZLZUJFDTDBDKOE-IBGZPJMESA-N	416.546	5.592	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2)cc1	66037186	BAOFKDKQGBPHQN-UHFFFAOYSA-N	416.452	5.177	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CNc2cccc(OCCCC#N)c2)cs1	236746169	WPGPKVVTVKVWLV-UHFFFAOYSA-N	420.538	5.431	30	20	HKED	
COc1ccc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)cc1OCCCC#N	237319734	LQPIPMNQKLTUPW-GOSISDBHSA-N	405.325	5.462	30	20	HKED	
COc1cccc(Nc2ccccc2C(=O)Nc2nc(C)c(SCC#N)s2)c1	303750345	FGUIUALWMSWDJB-UHFFFAOYSA-N	410.524	5.072	30	20	HKED	
C=CCOc1ccc(CN[C@@H](CC(=O)O)C23CC4CC(CC(C4)C2)C3)cc1Cl	426727614	PDVXVQKABSNJQK-DSQUVOCVSA-N	403.950	5.054	30	20	HKED	
C[C@@H](NC(=O)N1CC[C@H](CC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1	434335612	NXZCODNTQDBLGW-NVXWUHKLSA-N	401.432	5.270	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(Br)c1)c1nc(-c2ccncc2)cs1	437381351	BXWGYTNEHFQSIV-CQSZACIVSA-N	418.703	5.111	30	20	HKED	
CCc1cccc2c(C(=O)[C@@H](NCc3cc(C#N)ccc3F)c3ccccc3)c[nH]c12	439632491	IGIXRQVAULDNOK-VWLOTQADSA-N	411.480	5.455	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccccc2F)C(C)C)cnn1-c1cccc(C#N)c1	439671722	HUDFLIHWPPDWHB-UHFFFAOYSA-N	419.504	5.278	30	20	HKED	
CCCc1c(NC(=O)CCc2c[nH]c3ccc(C)cc23)cnn1-c1cccc(C#N)c1	440105225	RHRFDYNNZVFGPL-UHFFFAOYSA-N	411.509	5.058	30	20	HKED	
COc1cc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1C#N	440639061	OZHXRCJLHWAQJH-INIZCTEOSA-N	402.338	5.369	30	20	HKED	
C=CCC[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1	441576289	QOJSNUOHTJOUBT-LEWJYISDSA-N	418.459	5.096	30	20	HKED	
C=CCN(C(=O)CCC(F)(F)F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	443816523	NTKREUITBJMQIS-UHFFFAOYSA-N	416.468	6.339	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	443873293	CIHYUORWZHPJQH-CYSDGLOUSA-N	420.553	5.644	30	20	HKED	
COc1ccccc1-c1csc(NC(=O)c2cn(CCCC#N)c3ccccc23)n1	444171942	XRUDHTKJKMIOKX-UHFFFAOYSA-N	416.506	5.329	30	20	HKED	
N#Cc1cc(F)c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c(F)c1	445692219	URCUCGBOSVCWAB-UHFFFAOYSA-N	417.868	5.119	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1	445733063	MUOYDQUVCRSDGN-UHFFFAOYSA-N	424.715	5.312	30	20	HKED	
CCN(C(=O)CCC(=O)c1cc(Cl)sc1Cl)[C@@H](C)c1ccc(C#N)cc1	445915058	ZNKXOAGZYTZQRM-LBPRGKRZSA-N	409.338	5.499	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl	447323597	HHMLZFYPVMSDSQ-KBPBESRZSA-N	422.381	5.677	30	20	HKED	
COCCN(C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1	460345549	CFIJESRLYGJMHF-UHFFFAOYSA-N	420.896	5.084	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	460946906	DHWVBPLWXIDQQN-SNRMKQJTSA-N	420.479	5.312	30	20	HKED	
N#Cc1c(NC(=O)c2sc3ccccc3c2Br)sc2c1CCC2	463066153	CDEXTKWGKOGUJY-UHFFFAOYSA-N	403.326	5.338	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	463487263	SIGFSJNRFCCYJH-INIZCTEOSA-N	421.522	5.252	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1	463730082	PGSHOBWMSMCXGJ-GOSISDBHSA-N	402.542	5.248	30	20	HKED	
CCO[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C1=CCCC1	465120467	KMDWTVDMLKDBHC-XMMPIXPASA-N	404.510	5.290	30	20	HKED	
Cc1cc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)ccc1F	466107650	UXFUHIJQAPZKSM-JOCHJYFZSA-N	407.876	5.765	30	20	HKED	
N#C[C@H](C(=O)c1cccc(C2CCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3	467189372	ALACTGDFSAVSTO-QGZVFWFLSA-N	403.507	5.033	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	470003408	KRDSKBBPYABYLG-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Br	473930325	ZJVFQVNRNFUZFT-MRXNPFEDSA-N	422.307	5.243	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(C(C)(C)C#N)cc1	474692401	NKFYIWTVBLLDSI-UHFFFAOYSA-N	404.535	5.400	30	20	HKED	
CCCC(=O)Nc1nc2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2s1	475117739	KVVHAVGFLMFPDP-MRXNPFEDSA-N	406.511	5.061	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2ccccc2Br)CC1	475506405	GXLQJMFBVPQZHD-CQSZACIVSA-N	415.356	5.371	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1COc2ccc(Br)cc21	476079368	KGOHJCLJLBXNPJ-SFHVURJKSA-N	400.316	5.416	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F	476091311	QZCOOSUXHWMJJN-HXUWFJFHSA-N	400.469	5.023	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)ccn1	476914886	MXRDYMAPTAUPSC-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1cccs1	481401591	OFKWEVXUOQEGPB-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccccc1C	488911130	MFMANQCHQJKUEO-QGZVFWFLSA-N	402.523	5.948	30	20	HKED	
C=C(C)Cn1c(S[C@@H](CC)C(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1	489436293	FGPHYRLPLNSQNN-SFHVURJKSA-N	412.946	5.323	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccccc1C(C)(C)C#N	489641539	NUIWCDVOJINCON-UHFFFAOYSA-N	418.566	5.445	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C(F)F)sc2c1	490598174	QRTCFLCHADYLCU-UHFFFAOYSA-N	400.454	5.548	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2cccc(F)c2)cc1	490653067	SOVMSUFDVAZFLB-UHFFFAOYSA-N	418.468	5.268	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12	495245643	CXTONWTYSDVLQU-ZDUSSCGKSA-N	411.914	5.278	30	20	HKED	
CC(C)c1c(C(=O)Nc2sc3c(c2C#N)CCCC3)cnn1-c1ccc(F)cc1	498642016	IHOKSMNGFGXYMA-UHFFFAOYSA-N	408.502	5.199	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(OCCCC#N)c3)cn2)cc1	502248439	FULFRQUDIASICV-UHFFFAOYSA-N	402.454	5.509	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1SC	502679961	OVZINQFMAZSZHI-UHFFFAOYSA-N	409.324	5.530	30	20	HKED	
C[C@@H](Sc1nc2ccc(Cl)cc2o1)C(=O)N(CCC#N)c1ccc(F)cc1	502851561	OQDXLNXNMHMVDP-GFCCVEGCSA-N	403.866	5.048	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1	503266664	JTYJZXVQLVOPBT-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1	505052864	ZETQCILKMAAQHR-UHFFFAOYSA-N	418.459	5.651	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1	509647437	YPPULXQESDRMFJ-PMACEKPBSA-N	401.432	5.055	30	20	HKED	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)CCc1ccc(C#N)cc1	512340337	JDZMMAQEMDRHDV-IAGOWNOFSA-N	423.944	5.186	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1csc(C(C)C)n1	513958231	NHGBQYSUYUGWMU-UHFFFAOYSA-N	404.536	5.054	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	518148305	QHNOHPGIECPEHF-UONOGXRCSA-N	407.461	5.396	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(-c2ccccc2F)o1	518738981	IVEWARSYTNTJMI-INIZCTEOSA-N	408.498	6.051	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(OC(F)F)cc3)cc2)cc1	519051616	MLSPDCAZMFDVAY-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1	521258148	QFDMBZMDPYSQPT-IRXDYDNUSA-N	407.539	6.300	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	524615697	VOIUNFGKACVEHB-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
COc1ccc([C@H](NCCCC(C)(C)C#N)c2ccccc2)cc1Br	532413667	YKHPERVGDXTDLS-HXUWFJFHSA-N	401.348	5.467	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nc2sc(C)c(C)c2c1=O	533814862	HWMUCQBGRMKHGC-UHFFFAOYSA-N	423.563	5.517	30	20	HKED	
COc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1-c1ccccn1	534361452	VYMCRCZLUBESAL-SFHVURJKSA-N	412.276	5.059	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1)c1ccccc1	536192868	RCEXOGFRPNUBJJ-IRLDBZIGSA-N	401.554	5.683	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)cc1	537831719	QWQFSXUQVLSCNL-UHFFFAOYSA-N	413.546	5.199	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C2CCOCC2)cc1Cl	538619756	QZTLMESBXNLHKV-GGAORHGYSA-N	423.944	5.418	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCCOc4c(Cl)cccc43)cc2)nc1	539428517	IFVVIYPAXOIYKN-FQEVSTJZSA-N	419.868	5.043	30	20	HKED	
C=CCn1c(SCc2cc(-c3c(OC)ccc4ccccc34)no2)nnc1C1CC1	540860322	ZCURMFCHCDVKBM-UHFFFAOYSA-N	418.522	5.451	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	541176038	PAMWCPKDXSFLPD-RBUKOAKNSA-N	424.548	5.921	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cnn(CCC(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	541295453	OCPNLPWAVZVYFU-MRXNPFEDSA-N	419.369	5.292	30	20	HKED	
Cc1cc([C@H](NCc2ccc(-c3ccccc3C#N)cc2)c2cccnc2)ccc1F	541565845	WBKDIRDYDXVVJV-MHZLTWQESA-N	407.492	5.947	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	542979489	ZEJYWYJRPOVVQB-JKSUJKDBSA-N	404.539	5.366	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(C2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	543058732	LQZGGZAHFRTZDM-OAHLLOKOSA-N	414.317	5.879	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1SC[C@H](C)C#N	554206935	SMYCPIMLCFSQDD-JWUVWSEFSA-N	423.582	5.411	30	20	HKED	
N#Cc1cc(Br)ccc1CN[C@H](CC(F)(F)F)c1ccc(F)cc1	558093386	LPTYSUHBDKGAGZ-MRXNPFEDSA-N	401.201	5.243	30	20	HKED	
CC(C)(c1noc(-c2cnc(C(F)(F)F)c(C#N)c2)n1)c1cccc(Cl)c1F	559979251	LFNXQJQVANZQNB-UHFFFAOYSA-N	410.758	5.140	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1	563473357	UZLDVXRMEPTZID-UHFFFAOYSA-N	414.509	5.641	30	20	HKED	
C=CCn1c(SCCc2nc3ccccc3n2C)nnc1-c1ccc(Cl)cc1	564719971	VJNNGGZCZOMSGR-UHFFFAOYSA-N	409.946	5.006	30	20	HKED	
Fc1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)co2)cc1F	590818507	CDXOZSCTWAOZKL-QWRGUYRKSA-N	414.296	5.183	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	603527032	GCSKGSZAYQKZSS-UHFFFAOYSA-N	409.942	5.315	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nc(O)c2c(-c3ccc(F)cc3)csc2n1	603549116	QCFBNJYCMIGJQC-MRXNPFEDSA-N	407.495	5.430	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	603992350	RXCDFABIPDVSIR-UHFFFAOYSA-N	408.910	5.229	30	20	HKED	
COc1ccc(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	604004124	YAWBIHZSQFEQRC-UHFFFAOYSA-N	418.518	5.071	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCCCCc3ccc(O)cc3)s2)cc1	609202405	XDEMAAOOOCFTAQ-UHFFFAOYSA-N	405.523	5.053	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209081	QUPVRWKEKMBTBV-QGZVFWFLSA-N	411.461	6.322	30	20	HKED	
N#CC1CCN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1	609306499	YJPXTXRWBFYWJR-LJQANCHMSA-N	405.350	5.589	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2)cc1	609498014	HTTBFRISWAKSKO-UHFFFAOYSA-N	406.445	5.254	30	20	HKED	
C[C@@H](SCc1nc(Cc2cccc(Br)c2)no1)c1ccc(C#N)cc1	609825741	QQKYJHUQBSGONG-CYBMUJFWSA-N	414.328	5.289	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2coc(-c3ccccc3)n2)cc1	609968476	JLEPURYSUWVLJD-UHFFFAOYSA-N	411.436	5.195	30	20	HKED	
C=CCN(C(=O)CCCCSC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	610037708	RCDUVQHMNHPUDC-UHFFFAOYSA-N	415.411	6.169	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)[C@H](C)c1ccc(C#N)cc1	610171659	ZYKXLTXYYDVXKG-GOSISDBHSA-N	405.542	5.085	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C)c2cccc(C#N)c2)cc1	610361956	JOECTEKCCFUDAA-GOSISDBHSA-N	423.516	5.525	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1sc(-c2ccccc2)nc1C(F)F	611186963	ZBKCWSTYBUUYHK-ROUUACIJSA-N	423.488	5.660	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	618789870	QYAJOXALPWDTTD-ORAYPTAESA-N	407.926	5.044	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnc(-c2ccc(C)cc2C)s1	672239319	APTQQYNXFCZMPN-UHFFFAOYSA-N	408.571	5.423	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1C(F)F	676147637	JWQWVWXZLKCPSS-UHFFFAOYSA-N	415.284	5.439	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cc(Br)c(F)cc1Cl	679342436	COTARMSOTPGXRQ-UHFFFAOYSA-N	401.663	5.097	30	20	HKED	
O=C(Nc1ccc(-c2ccco2)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	683811948	RAGWXWZKGGTKSF-RYUDHWBXSA-N	424.316	5.680	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	685542560	BYGQKJJJSDIWPI-ILRDRHFLSA-N	420.479	5.168	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1	727954259	YDBZEHCFEGIYCC-LUTRRODMSA-N	408.885	5.022	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C	729411767	TYXZSQOMZFZGQI-UHFFFAOYSA-N	408.498	5.191	30	20	HKED	
COc1ccccc1CC(C)(C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	729553456	QAIWVIPKLOWRAO-HSZRJFAPSA-N	413.521	5.493	30	20	HKED	
C#Cc1cccc(NC(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c1	729631653	MZCAWNCKVBJQPY-UHFFFAOYSA-N	404.489	5.074	30	20	HKED	
C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(NC(=O)c2ccccc2)cc1	729894521	HUXBWFZLICISIQ-GOSISDBHSA-N	423.472	5.335	30	20	HKED	
N#C[C@H](C(=O)COc1ccccc1-c1ccccc1)c1nc2cc(F)ccc2s1	730416456	CNNNXUSAVNNZNF-GOSISDBHSA-N	402.450	5.358	30	20	HKED	
CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	730416520	DXXOPKUFMICSJB-QGZVFWFLSA-N	410.470	5.064	30	20	HKED	
CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1cnn(-c2cccc(Cl)c2)c1C	731560083	PQRBOSFMNHOTJC-UHFFFAOYSA-N	403.269	5.022	30	20	HKED	
C=CCN(C(=O)c1ccc(F)nc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	733910034	FQFVMSRKWZGOPB-UHFFFAOYSA-N	415.493	5.844	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1	734930241	UACKFHJOBLUOQW-HXUWFJFHSA-N	402.523	5.390	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)OCc1cc(Cl)ccc1OCC#N	735339509	HOWCXHPIASRROG-UHFFFAOYSA-N	404.900	5.093	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1c(Cl)nc2ccccn12	737446529	UXXDDCKOXDVGBT-HJWRWDBZSA-N	400.290	5.661	30	20	HKED	
CC(C)c1ccc([C@H](C)CC(=O)OCC(=O)Nc2ccccc2SCC#N)cc1	738742821	PCYITIAGQYOXJC-QGZVFWFLSA-N	410.539	5.101	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1	741934522	VDWNVFFNIMQCIY-YZGWKJHDSA-N	403.309	5.094	30	20	HKED	
CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](Cc1ccc(F)cc1)C(C)C	743026112	FAVIPHMEYXRQJH-FQEVSTJZSA-N	403.954	5.637	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744035724	VHCCLRYLWSCSSC-AUUYWEPGSA-N	412.917	6.048	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1	744062710	WALNFWMMFSMJQI-IJDCCNJMSA-N	418.547	5.325	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc([N+](=O)[O-])cc1	745724243	NNKOEJFXFJHYHE-UHFFFAOYSA-N	420.469	5.318	30	20	HKED	
Cc1nsc(N(C)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c1C#N	748235319	LURFEUQJQSQGMN-UHFFFAOYSA-N	419.550	5.476	30	20	HKED	
COc1ccccc1C1(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1	749344643	YXGPYTRSMFCIDA-CYBMUJFWSA-N	416.424	5.232	30	20	HKED	
CC[C@H](C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	750683454	DIQCVTKCYAKCMG-BLLLJJGKSA-N	405.281	5.132	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cc1C#N	752294226	GCVUNFAHMRMHGP-UHFFFAOYSA-N	424.888	5.101	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2c(CC)oc3ccccc23)cc1C#N	752298720	YVADJBNPZUBEDP-UHFFFAOYSA-N	420.469	5.099	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@H](O)c1cccc(F)c1	752652063	CXEHAKKOSIHMTD-HJPURHCSSA-N	419.456	5.042	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](OC(C)(C)C)c3ccccc3)n2)cc1	754532235	SCNOQUAPZRLDPX-SIKLNZKXSA-N	404.535	5.851	30	20	HKED	
Cc1ccccc1-c1nn(CN2CCCC(C)(C)[C@H]2C#N)c(=S)n1Cc1ccco1	766114258	XBDFATCXNQQNKQ-HXUWFJFHSA-N	421.570	5.002	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1	766615060	BSILFALMCFPXCM-RISCZKNCSA-N	418.241	5.174	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1	766845291	AFIVTPQSJNKJQF-AWEZNQCLSA-N	408.832	5.778	30	20	HKED	
CC(C)n1ncc2c(C(=O)OCc3ccccc3C(C)(C)C#N)cc(C3CC3)nc21	767994261	LQZRIHFVMJPIGI-UHFFFAOYSA-N	402.498	5.048	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2coc(-c3cccc(F)c3)n2)c2ccccc21	769544050	OOPYGPUBXLYFOZ-UHFFFAOYSA-N	403.413	5.096	30	20	HKED	
Cc1cc2occ(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2cc1C	770490410	PDYAFXXFVSGTOI-AWEZNQCLSA-N	422.506	5.097	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	773771750	TZFABTCCFFDIHO-WMZHIEFXSA-N	421.500	5.406	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2cccc3ccccc23)n1	774333480	DTLXFJWOCXTGSK-KRWDZBQOSA-N	420.440	5.533	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)ccc1OC	774447461	HOGOIRNPOHVHIL-DENIHFKCSA-N	420.475	5.882	30	20	HKED	
N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cc1	780951723	ZNGTUSNGJYFGEA-HXUWFJFHSA-N	412.367	5.041	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21	787355368	VEPBLLYZZXHXRM-UHFFFAOYSA-N	409.489	5.189	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1	790809843	ZYTYGZCLKQISGZ-GOSISDBHSA-N	415.802	5.662	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccnc(Cl)c1F	792828899	WNPDFOISNNRDRZ-UHFFFAOYSA-N	416.680	5.086	30	20	HKED	
C=CC[C@@H](OC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccc(Cl)c(Cl)c1	797553385	HJLPFRVEJUYKNC-HXUWFJFHSA-N	420.340	5.514	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C	806259328	ACSCRDMDZNUBQW-UHFFFAOYSA-N	419.525	5.042	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCCCC3)cc2C)c1	806633357	MZZDSDHBDSLUNF-QFIPXVFZSA-N	420.557	5.378	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813214129	PMUCDOMEGPBGBQ-GOSISDBHSA-N	402.416	5.138	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2sc3ccccc3c2Cl)cc1	839403843	MMSQKJHFOVFPMQ-UHFFFAOYSA-N	419.362	5.974	30	20	HKED	
C=CCOc1ccc(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1OC	864003164	HDQNPBGNFZHASA-UHFFFAOYSA-N	414.933	5.152	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1c(Br)cccc1[N+](=O)[O-]	864005619	DMAFTYKSMFCNRW-LBPRGKRZSA-N	406.305	5.221	30	20	HKED	
C#CCCOc1ccc(CNc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc1	864042314	FGYMLLMYRVTYEZ-XZOQPEGZSA-N	406.526	5.081	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(-n2cccn2)cc1	878902357	QPJTYIIQFWJABV-FMIVXFBMSA-N	417.472	5.016	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1	915354057	UIJRQNZPDBLFGM-RPWUZVMVSA-N	415.468	5.087	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916975798	FRJUVAIFCDOAKK-GOSISDBHSA-N	414.889	5.638	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1	917046556	KWZKBLRHWDBRKP-MRXNPFEDSA-N	423.950	5.801	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cs1	917559712	CBUMTUYUODWFPO-FMIVXFBMSA-N	419.481	5.653	30	20	HKED	
O=C1/C(=C/c2ccc(OCc3ccncc3)cc2)COc2c(Br)cccc21	920066810	LMIWXZARTCRDOC-SFQUDFHCSA-N	422.278	5.082	30	20	HKED	
CCC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H](C)CC#N)CC1	1513636675	CGWWYFQFPHGZPE-CVEARBPZSA-N	401.942	5.000	30	20	HKED	
CCC(CC)Oc1ccc([C@@H](C)OC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1	1532699167	NUZHVOXPMWEKHQ-QGZVFWFLSA-N	410.514	5.080	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1	1786904243	XQWQRZVWLDCAIS-QFIPXVFZSA-N	406.526	5.115	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1	1789051380	NCVOXWHMLJMHLS-UHFFFAOYSA-N	414.505	5.374	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1	1791593021	AXQXHYOKSFVWQG-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1819309304	RIZSYZBBHKRMDQ-XYLLXSKMSA-N	424.589	5.307	30	20	HKED	
CCc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1	8080787	IOVHXRZTCANTJN-UHFFFAOYSA-N	415.518	5.104	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)[nH]c(C)c1C(C)=O	51154790	IYZFRCGBVSDMML-GOSISDBHSA-N	405.523	5.400	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1ccc2ccc(Cl)cc21	64876991	BUWYZOMYJSNYSY-UHFFFAOYSA-N	416.868	5.301	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1	65749478	WJGOKCBZWBTVSY-UHFFFAOYSA-N	411.461	5.529	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Cc1csc(-c2ccc(OCC)cc2)n1	109329806	XLDSSDUFIJSFKQ-UHFFFAOYSA-N	406.551	5.009	30	20	HKED	
CCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)s1	211970733	WTPAAYXPDKKTQP-YVMONPNESA-N	418.490	5.626	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C)s2)cs1)c1ccc(F)cc1F	211972309	XAQMTVKHSRQRNF-ALCCZGGFSA-N	404.463	5.372	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(SC(F)(F)F)cc2)ccc1OC	236894252	QXWUNXAMXNDSBN-MRXNPFEDSA-N	410.461	5.278	30	20	HKED	
CC(C)(C)CCCCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1	303247331	MAPPOINJFRRGFF-UHFFFAOYSA-N	423.582	5.235	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	303314989	GPAQTXIUQOMCNU-XMMPIXPASA-N	413.477	5.728	30	20	HKED	
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccccc1-c1ccccc1C#N	303577423	ZPORXFOWEDIHEZ-BXKMTCNYSA-N	416.908	5.481	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1Cl	303904753	QKCOBTKLYCYQIB-DEOSSOPVSA-N	404.897	5.059	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2CC(F)(F)F)c1	303992284	IVZVFOOKFJYNRF-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN1c1ccccc1	426520785	GMFFIOUPLVXQAL-RUZDIDTESA-N	411.505	5.053	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1	431180524	PVAYJVQEWHHEFX-TZIWHRDSSA-N	423.582	5.194	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccccc1CN1CCCCCC1)c1ccccc1	431921441	BQEDTTGBHPUPSK-VWLOTQADSA-N	418.585	5.297	30	20	HKED	
N#CCCn1cc(/C=C\c2nc3c(ccc4ccccc43)s2)c(-c2ccncc2)n1	432709571	KTGZFXAPXUXQSB-CLFYSBASSA-N	407.502	5.792	30	20	HKED	
CCSCC[C@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437731619	KRSLETRUSGYJPN-JXFKEZNVSA-N	415.990	5.991	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1	437764810	PEGKAQPODRJRFE-NTKDMRAZSA-N	424.541	5.088	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)N[C@@H](CCC#N)c1ccccc1	439677421	YQWHQZBVKSKNLG-KRWDZBQOSA-N	403.345	5.011	30	20	HKED	
COc1ccc(-c2ccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)s2)cc1	440254431	WYAKUYZZOANWDN-NRFANRHFSA-N	405.523	5.268	30	20	HKED	
COc1ccccc1[C@H](NC(=O)NCC1CCC(C#N)CC1)c1ccccc1Cl	441003367	XRMNVLGTXNUNLG-CNXQINBVSA-N	411.933	5.067	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(F)c1F	445796034	TWDODMNPAQKSMH-UHFFFAOYSA-N	400.372	5.171	30	20	HKED	
CC(C)c1cccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	460827564	GJKDZYLQPOYJKB-UHFFFAOYSA-N	420.534	5.256	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C	462238475	WNVULJUNKGQMNI-KRWDZBQOSA-N	413.562	5.459	30	20	HKED	
CC[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1c(C)nn(C)c1C	464412975	WZKUWRQXTPKPJE-HXUWFJFHSA-N	422.916	5.235	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	467818401	ARJWSOFUPUXOMO-UHFFFAOYSA-N	416.880	5.447	30	20	HKED	
Cc1cc2cc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)oc2cc1C	469356580	RVHNVMZTZDPCMW-SFHVURJKSA-N	401.510	5.806	30	20	HKED	
C=CCN(C(=O)c1ccc2sccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	471082116	UQRVSRAJWIHUPR-UHFFFAOYSA-N	421.503	5.766	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1ccccc1	473633934	ZTSLYRZJPJUEOI-PMACEKPBSA-N	413.521	5.645	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CO)c1ccc(Br)cc1	475558712	LRPNXGFREAVPGD-IBGZPJMESA-N	417.347	5.156	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C[C@H](CC#N)c1ccccc1	475762724	UYJNZTGTSITCOB-FQEVSTJZSA-N	400.526	5.504	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)NCc2cccc(C#N)c2)nc1-c1ccccc1	481064347	WJYKNBOFQCSNMZ-NRFANRHFSA-N	414.509	5.383	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1cccc(OC)c1	481398258	ITLOVFCSDOFQML-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C=C(C)[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)c(F)c1	481585052	HMMHLVNNJCZTSL-NYHFZMIOSA-N	415.509	5.205	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)cc1	483815292	JPJQKHGKYCAUIE-OAQYLSRUSA-N	405.498	5.176	30	20	HKED	
C=CCSc1ccccc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C	485473360	GUQMXXITGBYOAK-SFHVURJKSA-N	408.489	5.016	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@H]43)cc2)nc1	485581042	IAKUAKUIYYQJMA-ISJGIBHGSA-N	423.516	5.544	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4ccsc4)CC3)s2)cc1	485987717	ZJYFUPPXXKSCDG-UHFFFAOYSA-N	408.552	5.079	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccccc1	487546302	WBWABOOHVBFKEN-QGZVFWFLSA-N	423.314	5.004	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21	487561497	BUAMVCABCVYAGW-QHCPKHFHSA-N	403.526	5.070	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1C)c1ccccc1	488678905	SRZOLESLJWTSFG-JOCHJYFZSA-N	414.553	5.668	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccccc1	489007459	GOSDEUFFSOPLFC-OUTSHDOLSA-N	409.595	5.957	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)c(Br)cc1F	497427764	VFIAFAAUMWIYKL-UHFFFAOYSA-N	404.283	5.212	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1	498245796	YWODJAQUUGDAOP-ZDXQCDESSA-N	418.443	5.028	30	20	HKED	
CCC[C@@]1(C(F)(F)F)CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	499518903	JIBWZXKXCRQHKD-FQEVSTJZSA-N	406.404	5.067	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cnn1-c1ccccc1Cl	499804927	DPJQTYLXFCMQIK-INIZCTEOSA-N	419.699	5.136	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1	500006589	QWGUWQFSQXKDEG-MOPGFXCFSA-N	401.535	5.786	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@@H]3C(F)F)cc2Cl)c1	503058736	HCBDEKVLZBRGFT-GOSISDBHSA-N	419.859	5.442	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	506677243	ZIAZFOVYUBMUSO-GFCCVEGCSA-N	410.370	5.403	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)c3ccccc3C#N)c3c(C)noc3n2)c(C)s1	508100605	GPGKEOKJLVETQC-UHFFFAOYSA-N	402.479	5.025	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(-c4cccs4)c3)CC2)cc1	509914450	LPJLALPRIZNKPI-UHFFFAOYSA-N	403.507	5.362	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H](C)c1cccc(OC)c1	513462918	HPAJTGIOUOXLAT-IBGZPJMESA-N	414.505	5.369	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)[nH]c(C)c1C(C)=O	517800925	QDGQNBZFVQKWRZ-SFHVURJKSA-N	421.522	5.100	30	20	HKED	
C=C(C)CN1CCC(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1	518285394	SSMLXXOMBSVHDV-UHFFFAOYSA-N	415.921	5.171	30	20	HKED	
Cc1[nH]c2ccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2c1C	519130065	BURZLLYQJQCERG-VWLOTQADSA-N	409.489	5.358	30	20	HKED	
CC(C)(C)c1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(O)c(C(C)(C)C)c1	519766693	IHLYKOAGEAUADC-UHFFFAOYSA-N	419.569	5.080	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1Cl	520514470	JUVAXYBKGZFRLC-LJQANCHMSA-N	424.287	5.226	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	523501772	QETASIAVFJWMRS-AWEZNQCLSA-N	420.456	5.774	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)SCc1ccccc1	524388982	ICUUBBDVCOKQFT-LJQANCHMSA-N	416.546	5.706	30	20	HKED	
COc1ccc(Cn2c(S[C@@H](C#N)C3CCCCC3)nc3ccccc3c2=O)cc1	524539254	YVBHQKSZSADIAX-QFIPXVFZSA-N	419.550	5.018	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)cc2)cc1	524830883	MZEPCLUERNIQIJ-HSZRJFAPSA-N	415.449	5.162	30	20	HKED	
CC(C)C[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	537495285	MRAOKDJQCGYMAY-SFTDATJTSA-N	408.567	5.174	30	20	HKED	
CC1CCN(CCc2cccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)c2)CC1	538774109	UHMKRCXYAFIUKQ-DEOSSOPVSA-N	404.558	5.128	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)N(CCC#N)c3ccccc3)s2)cc1	541661677	UYZMWJQGXJOTEL-GOSISDBHSA-N	418.566	5.024	30	20	HKED	
COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	543034549	OGQFOCZIRSFAJQ-UXHICEINSA-N	400.522	5.662	30	20	HKED	
COc1ccc(CNc2ncc(Cc3ccc(F)cc3)s2)cc1OCCCC#N	543690541	VDBIMZZULWOPRE-UHFFFAOYSA-N	411.502	5.176	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(COCC2CC2)no1	546446985	GJMZWIOSSVIDNW-UHFFFAOYSA-N	424.526	5.002	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1Cl	550222485	MGVIZVHZRBLZNX-YADHBBJMSA-N	414.892	5.694	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1N1CCCCC1)c1nc(-c2c(F)cccc2F)cs1	560544720	TWHFLCAOBDLLRJ-INIZCTEOSA-N	423.488	5.569	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)cc1	560970174	YZZQPUUKAGQYBC-UHFFFAOYSA-N	422.500	5.444	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1	568953026	KIEDNCYXRRMHSE-INIZCTEOSA-N	423.438	5.680	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	573295462	YGRNZHIAKLBHFF-OAHLLOKOSA-N	406.873	5.147	30	20	HKED	
CCCN(CCc1cccs1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	573851451	QGMOAZNSQFJIRE-UHFFFAOYSA-N	406.511	5.294	30	20	HKED	
Cc1csc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C#N	581096068	HLVROMWFUASBBM-LJQANCHMSA-N	423.925	5.082	30	20	HKED	
CCO[C@@H](c1noc(/C=C\c2cccc(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	583719410	LCAZSMQCXCKSNY-WMHRWZGDSA-N	417.362	5.395	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(F)cc1C(F)(F)F	590335126	OMFNETOHUKBGNF-SNVBAGLBSA-N	408.317	6.088	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1OCCC	592973504	GDHYMVFTGDKKDP-MRXNPFEDSA-N	412.486	5.503	30	20	HKED	
Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(C#N)c1C	603445709	UEJHHVZAHURVCP-UHFFFAOYSA-N	406.467	5.009	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](C)c4ccc(C#N)cc4)cc3)o2)cc1	603520214	WVLWELOPYNNAPY-QGZVFWFLSA-N	408.461	5.075	30	20	HKED	
CCCn1c(C)c(C(=O)Nc2nc(C)c(SCC#N)s2)c2cc(OC)ccc21	603908719	DPIQKDUDOYBIKT-UHFFFAOYSA-N	414.556	5.001	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2Cc3ccccc32)cc1Cl	604084992	RIAYJDPPRKNIDG-AVRDEDQJSA-N	401.897	5.457	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)[nH]2)ccc1Cl	604498076	ZWSSMEUGJSGTBJ-UHFFFAOYSA-N	410.930	5.078	30	20	HKED	
CN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1F	609217144	XDNNJOFLGBPWSD-UHFFFAOYSA-N	420.296	5.333	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1F	609217884	WHRRCGLUPOCYGM-UHFFFAOYSA-N	414.358	5.785	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3cccc4ccccc34)cc2)nc1	609516466	KMGSMONMQNUSSW-VWLOTQADSA-N	419.484	5.876	30	20	HKED	
COc1ccc(N(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C(C)C)cc1F	609647626	HBDLQJBCMOFINS-UHFFFAOYSA-N	418.468	5.340	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl	610142735	MCPUIKGDFTXQPC-IIYDPXPESA-N	403.910	5.551	30	20	HKED	
COCCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1	610357742	SJMVHALLXFATCA-CVEARBPZSA-N	419.447	5.057	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1	610407286	UGNKXOGYZZJPHV-HNNXBMFYSA-N	400.320	5.002	30	20	HKED	
CSCc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	610436155	MRAMUPDBSZWVQP-ITGUQSILSA-N	417.390	5.328	30	20	HKED	
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)c(Cl)c1Cl	610809996	YOVFQGVIXSONSJ-GFCCVEGCSA-N	409.748	5.233	30	20	HKED	
N#Cc1ccc(-n2nccc2NC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1	611185532	CXCWUMRHTMZBPB-UHFFFAOYSA-N	421.432	5.057	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)cc1	613317987	BZTXISIDCQBJDM-HXUWFJFHSA-N	424.529	5.672	30	20	HKED	
N#C[C@@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2ccccc2n1	618781143	WIRMLRKOSDJAIZ-OAQYLSRUSA-N	423.428	5.212	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	642157224	PARWQHDRZUVAJA-GDNZZTSVSA-N	407.276	5.345	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	673765635	DZUSBDBRGBNJLJ-QWRGUYRKSA-N	422.291	5.608	30	20	HKED	
O=C(Nc1ccc2c(cnn2C(F)F)c1)N[C@@H](c1cccc(F)c1F)C(F)(F)F	680221375	FRDLUMLPORKGTE-AWEZNQCLSA-N	420.288	5.135	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	682988413	FKPFCXWNWCVMRX-ZWNOBZJWSA-N	406.433	5.281	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(SC(C)(C)C)cc1C	726081103	JLHRNSWLKRRSOO-UHFFFAOYSA-N	413.543	6.014	30	20	HKED	
C=CCOc1ccc(/C=C(\Cl)c2nc(O)c3ccc(Cl)cc3n2)cc1Cl	727264719	VTNKYQALFGEJJW-DHDCSXOGSA-N	407.684	5.944	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)c3ccccc3OC)n2)cc1	728769326	FHUJLQLPFDUOGS-DNVCBOLYSA-N	406.507	5.197	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=S)Nc3ccc(SC(F)F)cc3)CC2)c1	729164327	FYVGJHMVPLOJMF-UHFFFAOYSA-N	419.522	5.113	30	20	HKED	
Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@@H](c1ccc(O[C@@H](C)C#N)cc1)N2	731301263	LNMBYQSEALYAOP-DFBJGRDBSA-N	411.505	5.095	30	20	HKED	
CCc1cccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)c[nH]c12	731768913	VZYJKSUYQGRPEJ-HXUWFJFHSA-N	415.518	5.281	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCC2	732418310	PWQAIYIDWKPPOU-IFMALSPDSA-N	416.550	5.648	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	733626098	NCJOADDAJSTTCM-UHFFFAOYSA-N	402.410	5.173	30	20	HKED	
CON=Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc1	741730325	NISXTPPHDZDAAU-SFHVURJKSA-N	402.494	5.176	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccccc1	748589568	ZRWJPIRMBFRJNV-IBGZPJMESA-N	414.962	5.060	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3ccc(C)cc3C2=O)cs1	753900318	NIASUFWCOFTXAH-ATVHPVEESA-N	406.482	5.488	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)C1	753968879	LQNVJBWVIYCGCG-RUXDESIVSA-N	404.482	5.248	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCn1ccc2cc(Cl)ccc21	759183292	MUFHTXCUTTVAMS-SFHVURJKSA-N	403.869	5.066	30	20	HKED	
C[C@@H](ON=C1CCOc2ccccc21)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760435286	XSJDSJAQRCLUKR-LLVKDONJSA-N	404.253	5.308	30	20	HKED	
CCCN(Cc1ccc(O[C@H](C)C#N)cc1)Cc1nnc(-c2ccccc2Cl)o1	768187330	TUAVIUZOLSNKPX-MRXNPFEDSA-N	410.905	5.093	30	20	HKED	
C=C(C)Cn1c(SCC#Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1	768414069	DIRDBBHYMYQOIV-UHFFFAOYSA-N	414.456	5.079	30	20	HKED	
COc1cc(C=NOCc2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1OC(C)C	768510719	BXYKZIQFDMXXRM-UHFFFAOYSA-N	414.889	5.650	30	20	HKED	
COc1ccc2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2c1	770120715	YROZMKBQTRUNKW-FQEVSTJZSA-N	424.485	5.037	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c(F)c1	772800903	LLYJFMDNUVCIHK-PXNMLYILSA-N	422.428	5.118	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)N[C@H](C)c3ccc(OCC#N)cc3)cc2)c1	772959412	MKTMZRVMXBGHAB-NHCUHLMSSA-N	400.522	5.888	30	20	HKED	
CSc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1[N+](=O)[O-]	776781287	AGSVYXGBJVKRQN-LJQANCHMSA-N	403.463	5.224	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	777564428	GHEUFAGQUHMDPF-IBGZPJMESA-N	409.411	5.423	30	20	HKED	
CC(C)[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)N1CCCCC1	778606501	GOVGQWXLIICIHS-WMLDXEAASA-N	409.477	5.002	30	20	HKED	
N#CCC1(COC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CC1	779214409	UXQVZAJOFGBGHL-NSKAOLIHSA-N	423.397	5.346	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Br)cc1C(F)(F)F	780162902	FYCUVNQUTDMRRD-SNVBAGLBSA-N	413.193	5.011	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	780306319	UYVOVRKVEIEIJU-QFIPXVFZSA-N	405.457	5.171	30	20	HKED	
CCCc1c(NC(=O)c2c(C)oc3ccc(OC)cc23)cnn1-c1cccc(C#N)c1	784716096	QHZLUOQBJWXZAQ-UHFFFAOYSA-N	414.465	5.012	30	20	HKED	
CC(=O)N(c1nc(COC(=O)CC(C)(C)C#N)cs1)c1c(C)cc(C)cc1Cl	785079999	JWKUGYQXFQRYMN-UHFFFAOYSA-N	419.934	5.081	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nccc2ccccc12	792106021	ZWJGLJKPAWBDFK-JOCHJYFZSA-N	414.896	5.110	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccnc(F)c1	794718608	BXZVDVJVFUACLE-QPJJXVBHSA-N	415.251	5.676	30	20	HKED	
COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4ccc(C#N)cc4)nc(=O)c3s2)cc1	797247913	UCBJPJMQFOWUNL-YVLHZVERSA-N	419.893	5.269	30	20	HKED	
N#CCOc1ccc(CNCc2ccc(-c3ccccc3Br)cc2)cc1	800887553	WYVFYJWAQXUPCQ-UHFFFAOYSA-N	407.311	5.308	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(C#N)ccc2Cl)c2ccccc2)cc1	803832921	MOEXBTXNPXSZNK-NRFANRHFSA-N	404.853	5.057	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccnc(O)c1	806556184	PEBDUURZCOLCCX-YWEYNIOJSA-N	400.261	5.569	30	20	HKED	
CN(C)c1ccc(C#N)cc1CNc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1	864040726	VAVALNICXAVLOD-UHFFFAOYSA-N	419.344	5.526	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NCc2ccc(C3(C#N)CC3)cc2)cc1	864042222	ALHRAKVQYFUPOG-FCHUYYIVSA-N	403.526	5.234	30	20	HKED	
COc1ccc(/C=C/C(=O)c2sccc2Br)cc1Br	915113436	PMWFJXOYCUJOCJ-DUXPYHPUSA-N	402.107	5.178	30	20	HKED	
Cc1ccc(C)c(-n2nc(C)c(/C=C/C(=O)c3ccc(OCC#N)cc3)c2Cl)c1	916151877	GIQBMXGVARVOHQ-ZHACJKMWSA-N	405.885	5.249	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)c1	916893996	IZFAJZHMWSZBHL-CQSZACIVSA-N	419.289	5.178	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc(F)ccc2s1	916944816	NVHMNECEEJYDPL-AWEZNQCLSA-N	407.253	5.308	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1	916954815	KUDCRYDQTUYJNT-IIBYNOLFSA-N	415.493	5.054	30	20	HKED	
CCOC(=O)c1c(NC(=O)c2ccccc2OCC#N)sc(-c2ccccc2)c1C	919979730	BHDJWKRZPWEPNQ-UHFFFAOYSA-N	420.490	5.055	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1	1787887705	SHIVXGCTUNCQCP-UHFFFAOYSA-N	409.536	5.014	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1	1791979597	AGVIBOVPGTXKIU-UHFFFAOYSA-N	424.585	5.074	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4)CCC3)cc2)c1	1792125088	RLNJCWJCFNDJQO-LJQANCHMSA-N	423.516	5.375	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCC2)CC1	1829068251	MPBIBXYIVLLVBA-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
N#Cc1cccc(COC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1	9248143	PBJBZJYHVSILPC-UHFFFAOYSA-N	417.515	5.065	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(-c3ccccc3Cl)o2)n1	10399297	YEIOBVZPWLIMFH-UHFFFAOYSA-N	410.808	5.276	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cc(C)ccc2C)cc1	23603745	KGXNDIKLIOEMLU-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl	24365203	ZVPNYISGRDLJRY-UHFFFAOYSA-N	421.831	5.535	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1	29674985	KGJHRXGSRGMGMH-OAHLLOKOSA-N	420.563	5.236	30	20	HKED	
N#Cc1ccc(F)c(CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)c1	29888678	PEDUTGCVHWZHTD-UHFFFAOYSA-N	411.458	5.094	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cs2)cc1	61432297	ZBWSDFOABORJNK-LBPRGKRZSA-N	409.536	5.129	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1ccc(Cl)cc1	78714858	QUAWGYPHWZOWBA-HNNXBMFYSA-N	403.935	5.134	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1F	195569766	CKBFNGMRYXKNOE-UHFFFAOYSA-N	424.545	5.433	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cccc(OC(F)F)c2)cc1OC	195658798	ODXRBHBEBFTFSE-UHFFFAOYSA-N	414.246	5.236	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1c2ccccc2cc2ccccc12)CCCC3	254339486	CFJNEKHGKTVELV-UHFFFAOYSA-N	409.514	5.525	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@H](c1cccc(F)c1)c1ccccn1	301854403	BNXXEKVULJWUPY-JOCHJYFZSA-N	420.394	5.443	30	20	HKED	
Cc1ccc(-c2nnc(Sc3snc(Cl)c3C#N)n2Cc2ccco2)cc1	301945293	AZAFQXUTTDATQH-UHFFFAOYSA-N	413.915	5.028	30	20	HKED	
C=CCN1CCC(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1	303260473	HQCOCUJUMDRTSZ-UHFFFAOYSA-N	403.762	5.242	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cc(Cl)cc(Cl)c1	303296376	BULAKUYXANPYNV-AWEZNQCLSA-N	422.381	5.316	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccncc3)c2)c1	303562441	AJNGAZMXTMLQRT-SANMLTNESA-N	419.484	5.052	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H](Cc2ccccc2)c2cccs2)c1	303675956	QKCWBXZFQNMBSR-JOCHJYFZSA-N	404.535	5.269	30	20	HKED	
CC(C)(C(=O)N[C@H](C#N)c1ccccc1Cl)c1csc(-c2cccs2)n1	410005042	UMFCPBSSIURLJN-CQSZACIVSA-N	401.944	5.184	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)s1	430620449	HWQABKBSNDQIRS-SFHVURJKSA-N	403.507	5.183	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21	431183725	QOWKTKKMOGGJRP-HTAPYJJXSA-N	405.567	6.012	30	20	HKED	
Cc1cccc(Oc2ccccc2NC(=O)CCCC(=O)Nc2ccccc2C#N)c1	432597717	ZQOSZKHPCMDBSY-UHFFFAOYSA-N	413.477	5.407	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN(c2ccccc2)C1	432869302	VKQXCNSTWQAMAB-RBUKOAKNSA-N	408.571	5.119	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1)c1ccccc1	432980982	YXRGUQMPYFXBBI-JOCHJYFZSA-N	418.472	5.356	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1C	437374163	OKPRRRMGZWVPMR-RBBKRZOGSA-N	418.928	5.020	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC3(CCCCCC3)C2)cc1	437837987	KBJFIKDEBXQPQP-UHFFFAOYSA-N	409.574	5.469	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c(Cl)c1	438893117	FPJFVCAGHJSLST-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
CCCc1c(NC(=O)N(C2CC2)[C@H](C)c2ccco2)cnn1-c1cccc(C#N)c1	439685124	XTUMKSLDEXUULP-MRXNPFEDSA-N	403.486	5.047	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@@H]1CCN(CC)C[C@H]1C)c1ccc(C(F)(F)F)cc1	442296396	MWAFYEOLYBMIDO-LSTHTHJFSA-N	411.512	5.084	30	20	HKED	
O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F	460469392	JNOUZEPVXCLYOX-CVEARBPZSA-N	419.340	5.539	30	20	HKED	
N#Cc1nnc2ccccc2c1NCc1ccc(Oc2ccccc2C(F)(F)F)nc1	462901231	GRDVUPARHZSEBC-UHFFFAOYSA-N	421.382	5.320	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)cccc1Br	463395714	RJSRMHZIBMJPPY-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
N#C[C@H](NC(=O)c1sc2ccccc2c1Br)c1ccc(Cl)cc1	464409429	XQIQQBRGTNMGMM-ZDUSSCGKSA-N	405.704	5.312	30	20	HKED	
COc1ccc(-c2nc(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)cc1OC	464826615	ZVANHQMVLCOUBH-RTWAWAEBSA-N	419.550	5.099	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1	464952766	OPPRWMGKXDOOBR-FTJBHMTQSA-N	421.500	5.049	30	20	HKED	
Cc1c(O)nc(SCc2ccc(C#N)cc2Br)nc1-c1ccccc1	467215079	RTKZGIZGVBSTKV-UHFFFAOYSA-N	412.312	5.084	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2ccc(F)c(C#N)c2)n1Cc1ccco1	468638059	MKYHSLFFERPIJQ-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)n1	474446586	OLMXTQPBGHRAIR-LBPRGKRZSA-N	405.310	5.249	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3OCC(F)F)c2)c1	475002042	QGQDRAAQJMAOIP-UHFFFAOYSA-N	408.404	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1	475549652	REACCXCBSRLJHI-UHFFFAOYSA-N	418.006	5.603	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479154481	APOMYBNVRJKNTI-ATIQYGATSA-N	411.933	5.304	30	20	HKED	
Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2cccc(Cl)c2)cc1	480393078	DHDWRQHLIXRGOE-INIZCTEOSA-N	407.930	5.432	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	480555182	NGYNZQIIJYEPKE-IFXJQAMLSA-N	403.404	5.545	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc1	480848445	WVICQJCWOOWOLN-PGRDOPGGSA-N	421.541	5.407	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)o2)cs1	481945854	NSGHJOCKAOUMKQ-UHFFFAOYSA-N	415.474	5.306	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccccc1C(F)(F)F	483109516	QXHAENQHTWJAIP-MRXNPFEDSA-N	408.468	5.332	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1ccccc1F	483619130	GLNPUDSAHFMUPC-HZPDHXFCSA-N	401.507	5.057	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	483971563	AHAVGHDBLHZTAB-MRXNPFEDSA-N	400.265	5.260	30	20	HKED	
CCCN(Cc1ccccc1C(C)(C)C#N)C1CCN(C(=O)c2ccccc2)CC1	487412616	RPSSEVRMHUWGML-UHFFFAOYSA-N	403.570	5.005	30	20	HKED	
CC(C)(C)c1nnsc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	489129985	JJMSTZQUHHRNOW-INIZCTEOSA-N	410.930	5.397	30	20	HKED	
C=CCn1c(SCCCOC(C)C)nc2scc(-c3cccs3)c2c1=O	491898531	GIPUQOGJILOUOY-UHFFFAOYSA-N	406.598	5.280	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cn1	505273729	QBWTXRDCQPSPHB-UHFFFAOYSA-N	419.456	5.118	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1	505922091	DTCANRONSXSDNJ-QGZVFWFLSA-N	422.287	5.112	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F	506865156	RSDJPGPYIRBSPN-UHFFFAOYSA-N	424.316	5.450	30	20	HKED	
Cc1c(C#N)cccc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1	509333966	XVOMBWJVSYVMFV-INIZCTEOSA-N	411.221	5.053	30	20	HKED	
CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCc2ccccc21	509856262	TXUUTWIVRIWUET-RUZDIDTESA-N	411.505	5.483	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1	511596949	WAQDDJAZXRYTGO-SFHVURJKSA-N	403.404	5.177	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCCc3cc(F)cc(F)c32)c1	512213542	PBIOHLMWFOTPCX-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccccc2Br)nnc1-c1ccoc1C	512513024	DDCHACGCAZJPMY-ZDUSSCGKSA-N	404.333	5.648	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)NCC(C)(C)CCC#N	513117962	HABXNQQRYAMBKY-UHFFFAOYSA-N	401.551	5.804	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)o2)cc1	514967694	MCVAGPPBMIKABS-UHFFFAOYSA-N	406.441	5.196	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1	516705054	OKBLUGRTZJMUPX-UHFFFAOYSA-N	415.971	5.376	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	516842624	LEZDEERSKBQUCQ-QGZVFWFLSA-N	402.519	5.350	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2c(F)cccc2F)cc1	518697282	OQTXRDSXKSLEBU-INIZCTEOSA-N	413.468	5.004	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c1	518906834	WWBVXFODKWHSIF-UHFFFAOYSA-N	420.459	5.291	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(N(C)c2ccccc2)nc1	519427378	CJCVPTDWVCKNQN-QGZVFWFLSA-N	402.523	5.354	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)C2CC2)cc1	519498363	FASZXVTZIKWPHH-ZWKOTPCHSA-N	423.582	5.780	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21	520056140	GDMFIKXXDWNHQG-IBGZPJMESA-N	402.947	5.283	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SC(C)C)n2)cc1	520655141	UHPRWLNTXXSDTL-GOSISDBHSA-N	408.548	5.809	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1	521268784	RSHFPOOMVXZGCD-UHFFFAOYSA-N	408.498	5.822	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4SC[C@H](C)C#N)cc3c2C1	521727352	UJGNPVITABGTND-JKSUJKDBSA-N	403.551	5.797	30	20	HKED	
C[C@@H](CC#N)NC(=O)c1sc2ccccc2c1CSc1ccccc1Cl	522117712	IUSOYMJUNYGQHZ-ZDUSSCGKSA-N	400.956	5.879	30	20	HKED	
C[C@@H](CCC(C)(C)C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1	522913077	ZHBBMQJRKIGISU-KRWDZBQOSA-N	423.582	5.234	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)[nH]c12	524034952	HYKOXLKHKHHJNJ-IBGZPJMESA-N	409.449	5.005	30	20	HKED	
N#C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)C1CCCCC1	524533775	NUCKXWAFWAMWEQ-IBGZPJMESA-N	415.994	5.081	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1ccc(C#N)c(C#N)c1)c(C)n2Cc1ccccc1	525148174	OFZGIGSZDXZJFM-UHFFFAOYSA-N	420.472	5.002	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	532760192	FXHQAIWGDVNQGA-ZHRRBRCNSA-N	415.990	5.660	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1	533045557	SFNLFXDZPPDTMA-JOCHJYFZSA-N	409.942	5.037	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(C#N)cc2Cl)cc1	533624715	HQORBOABZIETGR-IBGZPJMESA-N	400.931	5.066	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3ccccc3)[C@@H]3CCCc4ccccc43)o2)c1	538228172	PDHXUVYPAWLGKT-AOYPEHQESA-N	420.516	5.559	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C2CCOCC2)cc1Cl	538619758	QZTLMESBXNLHKV-JTHBVZDNSA-N	423.944	5.418	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Cl)sc1Cl	540050446	STRHUHBWDKTIJY-JTQLQIEISA-N	400.356	5.628	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]2CCCC[C@H]12	541086976	NBZGCSSNRIRRNL-QFWMQHCXSA-N	403.526	5.374	30	20	HKED	
C[C@H](SCc1ccc(CC#N)cc1)c1nc(O)c2c(-c3ccco3)csc2n1	541292482	MWFLNRDBOGPEIR-ZDUSSCGKSA-N	407.520	5.717	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)NCC(=O)Nc1ccccc1S[C@H](C)CC#N	543478100	MDPFQAYLHZJCEN-DYESRHJHSA-N	413.562	5.015	30	20	HKED	
Cc1ccc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cn1	544786112	FMJOVRWYHCVNDG-UHFFFAOYSA-N	418.472	5.037	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccccc1	545152461	GACZMANJSHPFBY-IRLDBZIGSA-N	408.933	5.170	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1	558370143	FKIGYPFUNLQLDG-LSDHHAIUSA-N	421.488	5.710	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(OC)cc1	558448202	RWCFHJLCDUXOFR-UTKZUKDTSA-N	422.504	5.093	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1	559976076	JJWDMVOXYPUKLW-NRFANRHFSA-N	421.294	5.023	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	570608641	GOHKAGUSJBACGC-WTLGNFPFSA-N	420.479	5.168	30	20	HKED	
N#Cc1ccc(CN[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)nc1	571072537	SDWVXESZHCKHOW-OAQYLSRUSA-N	400.284	5.473	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccsc1Br	581872197	ARYXDDKTJKSHAC-LLVKDONJSA-N	410.362	5.084	30	20	HKED	
COCC[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	585745441	UNADFDCPLCYTQV-YJYMSZOUSA-N	406.313	5.003	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	588235947	VPJSTWUAMYBFNQ-OAQYLSRUSA-N	416.481	5.369	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)c1cccs1	590234808	JNCOSELNLAUXEB-UHFFFAOYSA-N	404.491	5.109	30	20	HKED	
FC(F)c1nc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc2n1	595530977	BVJBMYYQFARMME-MYJAWHEDSA-N	413.312	5.889	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	604003894	QAVUOQLZUDSOSF-UHFFFAOYSA-N	414.505	5.763	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)s2)c(C)c1	604005450	NXVIUKUOGXYNCU-QGZVFWFLSA-N	416.531	5.436	30	20	HKED	
C=CCc1cc(C(=O)N(C2CC2)C2CC(c3ccccc3C)C2)cc(OC)c1OC	607584651	BFLNFCOCCMHKLW-UHFFFAOYSA-N	405.538	5.292	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1c(F)cccc1F	609078851	ASCUSJZPKPPTNQ-INIZCTEOSA-N	421.447	5.607	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1occc1COc1cccc(C#N)c1	609377330	SNLKZXRROOGGIN-INIZCTEOSA-N	417.490	5.234	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1	609398040	DCRAJSSQEPHYBC-DLBZAZTESA-N	420.538	5.491	30	20	HKED	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609433801	KHDYDPSFNHVJPO-UHFFFAOYSA-N	423.476	5.200	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(Cl)c(Cl)c1	609460889	HMUQHCIXGVCPAH-CYBMUJFWSA-N	413.688	5.995	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)n1	609646327	FNDVJFPCSVVISZ-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1	609712770	NELKUOAJTXVPPO-FUHWJXTLSA-N	412.534	5.010	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)oc1C	609987718	UWCMXQPEOKXVIQ-UHFFFAOYSA-N	408.461	5.826	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C1	612244549	DGEACKBVQIHNTK-XMMPIXPASA-N	407.464	5.198	30	20	HKED	
CC1(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCC(F)(F)CC1	612302660	YINFKDCPNROAGT-UHFFFAOYSA-N	413.468	5.421	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CCC(C(F)(F)F)CC1	683441260	WNVJUIQSMQOPEK-JPPWEJMLSA-N	413.324	5.381	30	20	HKED	
Cn1cc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)c(-c2cc3ccccc3o2)n1	726426501	ZZIZGWWXHVOURG-UHFFFAOYSA-N	409.371	5.170	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1Cl	726458574	NEDIYMZKQFSXGC-UHFFFAOYSA-N	409.864	5.592	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)o1	726627892	VTPCAGPNYSXGLQ-GEKSYAFFSA-N	400.912	5.334	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(OCc3ccccc3C)cc2)cs1	727781076	CTNVIMZBLHRSIF-KAMYIIQDSA-N	420.534	5.299	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)C(C)C)c1	728247259	XCNROKBQRXOMRL-UHFFFAOYSA-N	414.480	5.423	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1nc2ccccc2o1	730071552	PMFNWZYNECKUEW-AOMKIAJQSA-N	420.440	5.816	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)ccc1OC	733232578	UJDFPQBXIPWEAO-ZFWWWQNUSA-N	421.324	5.103	30	20	HKED	
O=C(/C=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c(Cl)nc2sccn12	741842876	DAFWIOFCIIWDLE-UTCJRWHESA-N	422.819	5.150	30	20	HKED	
O=C(Nc1cccc(/C=C2/Cc3cc(Cl)ccc3C2=O)c1)c1ccccc1Cl	742436709	DVXGLEUZINQGKK-YBEGLDIGSA-N	408.284	6.068	30	20	HKED	
C=C(C)COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC	747039635	BRIOURXHWYPSPH-XDHOZWIPSA-N	403.569	5.184	30	20	HKED	
CC[C@H](C(=O)N1CCC(/N=C/c2cc(Cl)cc(Cl)c2O)CC1)c1ccccc1	749103749	AOWGLUSUJAKMNS-CPUXBYDOSA-N	419.352	5.303	30	20	HKED	
CCN(CC)c1ccc2cc(C(=O)/C=C\c3coc(-c4ccccc4)n3)c(=O)oc2c1	749890999	GFAUWGOIEXJFJR-QBFSEMIESA-N	414.461	5.190	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC	749969420	GOBOTRMEBHSMND-FAPYRAKZSA-N	424.547	5.150	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NC(=S)NC12CC3CC(CC(C3)C1)C2	750991275	PLBNWZOEKIRHAA-UHFFFAOYSA-N	404.539	5.001	30	20	HKED	
COc1ccc(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc1OCCCC#N	751518019	QSBHKDASAIZBIY-GDNBJRDFSA-N	413.817	5.164	30	20	HKED	
Cc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(Br)c1	753695244	OFVZMWQXTJCJIG-UHFFFAOYSA-N	421.751	5.177	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)cc1	756232608	BZFIXNDBKWGTNN-HXUWFJFHSA-N	406.482	5.386	30	20	HKED	
C/C(=C/c1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756531376	YPYFDRBGINIPNY-RXEWJAMOSA-N	403.894	5.615	30	20	HKED	
O=C(/C=C\c1cc(Cl)ccc1OC(F)F)c1cc(Br)ncc1F	762424257	GJSCIJSNTWAWIE-IWQZZHSRSA-N	406.585	5.134	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(Cl)c4ccccc34)s2)cc1	766386298	CZAPHROKZMMRGE-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	772984271	PKEXWXPZJLFYSB-FUHWJXTLSA-N	421.522	5.855	30	20	HKED	
N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1	773762532	KVSDAXJNIKUCDB-OAQYLSRUSA-N	420.921	5.130	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cn(C)c2ccccc12	774018310	SLWKHFBVDGLJJT-HIFRSBDPSA-N	421.472	5.560	30	20	HKED	
N#CCOc1cccc(NC(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)c1	774023935	REJSLMUGLNDMKV-UHFFFAOYSA-N	407.470	5.201	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)C1(c2cccc(Br)c2)CCCC1	780149011	NIZLIYWYLBQXAZ-OAHLLOKOSA-N	413.315	5.190	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1	781092557	ZZKPIVSQVKQYFF-LYZGTLIUSA-N	406.592	5.178	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)n1C(C)C	787048784	IDSQOSABSAPISY-FZKQIMNGSA-N	420.340	5.193	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(OC(F)(F)F)cc1	789369583	VQWKXLSJEQMTGC-CQSZACIVSA-N	422.403	5.488	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@@H](C#N)c3nccc4ccccc34)c2)c1	792095923	YIPBICCWDZZPHI-RUZDIDTESA-N	406.485	5.541	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)[C@H]2CCc3cc(Cl)ccc32)cc1	795418549	VAJFZZXSXQOCLR-QHCPKHFHSA-N	407.922	5.481	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(C(F)(F)F)cc1	798817377	YFWVMYYSZITUMO-SMDDNHRTSA-N	407.342	5.430	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2Oc2ccncc2)cc1	800941839	DOVXHUODAPXITK-UHFFFAOYSA-N	402.450	5.136	30	20	HKED	
CC(/C=C/C(=O)c1ccc(N2CCNC2=O)cc1)=C\c1cccc(C(F)(F)F)c1	806573015	VGKIDCFPIWGAKR-JHVODGNPSA-N	400.400	5.077	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1nc2ccccc2cc1Cl	810646746	ZEMUPWJLZVBKAH-UHFFFAOYSA-N	421.671	5.216	30	20	HKED	
Cc1cc(-c2ccc(NC(=O)CCCC#N)c(C)c2)ccc1NC(=O)CCCC#N	813031116	YWUFUMCORJZJPR-UHFFFAOYSA-N	402.498	5.235	30	20	HKED	
O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1ccc2ccccc2c1OC(F)F	844239999	SKMALIZYWZRTIX-POHAHGRESA-N	409.367	5.057	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1	915352306	GWIWGWCNPXLCEX-RUZDIDTESA-N	423.516	5.469	30	20	HKED	
Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915683782	HKXIPFAYDCAFST-HSZRJFAPSA-N	423.520	5.212	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1ccc2ccccc2c1	916904259	ZKDYSGFFQFYEBB-JOCHJYFZSA-N	416.546	5.404	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccs3)n2)cc1	916915023	AWFUHPFRUUMIQA-SFHVURJKSA-N	423.563	5.104	30	20	HKED	
N#C[C@@H](C(=O)CCCOCCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	916975128	AHBHTCATTRNISL-FQEVSTJZSA-N	424.953	5.679	30	20	HKED	
CC(C)(C)c1ccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)C(F)(F)F)cc1	919656852	DKRMKUYPQPSPJP-GOSISDBHSA-N	405.420	5.312	30	20	HKED	
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	919773581	SIAVJBKUFGLBTM-RFLWCCGPSA-N	424.548	5.299	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)s1	920102167	QVDAIVRPGQNKFO-KRWDZBQOSA-N	402.450	5.549	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccccn3)n2)CCOc2c1ccc(Cl)c2Cl	921138265	BUXOZKDJEQZAHM-LUAWRHEFSA-N	403.290	5.561	30	20	HKED	
CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1	1789048933	UKNINGBPVBYQAI-NRFANRHFSA-N	422.550	5.135	30	20	HKED	
Cc1cccc2sc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c(Cl)c12	29985974	DGEWQPDXNKPQNQ-UHFFFAOYSA-N	423.969	5.083	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(CC#N)cc1	31745375	YWQWAPQYPMPPSR-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccccc2SCc2cccs2)c1	55569365	HRFMVFOKUARLMG-UHFFFAOYSA-N	408.548	5.975	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(OCc3ccccc3F)cc2)cc1	64422464	KAPVEVPOLSQXTD-UHFFFAOYSA-N	406.482	5.148	30	20	HKED	
C=CCOc1ccc(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1OC	72018599	PBRPNDYQPFDCSR-HNNXBMFYSA-N	408.523	5.183	30	20	HKED	
C[C@@H](c1ccccc1)N(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1O	216477821	ZNKVMERAESMOGT-KRWDZBQOSA-N	419.912	5.119	30	20	HKED	
N#Cc1ccc(Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)nc1	301095690	VUPSGCSGKWJAGV-UHFFFAOYSA-N	403.898	5.065	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	302962551	PCCOHAKBISXTSS-UHFFFAOYSA-N	406.489	5.593	30	20	HKED	
CCN(Cc1nc(-c2cc(Br)cs2)no1)[C@@H](C)c1ccc(C#N)cc1	303024957	SBBCYQKFJXGXTI-LBPRGKRZSA-N	417.332	5.015	30	20	HKED	
C[C@H]1C[C@H](N(C)C(=O)c2ccccc2-c2ccccc2C#N)CCN1Cc1ccccc1	303781778	SOUGUAMFIPZONV-XUZZJYLKSA-N	423.560	5.350	30	20	HKED	
N#C[C@@H](NC(=O)CCCCC(=O)c1ccc(F)cc1)c1cccc(Cl)c1Cl	426995279	OJFVGKAUFOGDSB-QGZVFWFLSA-N	407.272	5.257	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)cs1	431782173	NQJOZZMDRPXOQX-JTSKRJEESA-N	418.566	5.914	30	20	HKED	
Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	432803063	GBPDFLCXQUIIQY-UHFFFAOYSA-N	412.493	5.004	30	20	HKED	
N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	433313736	WTBSBOWOYPUWJA-SFHVURJKSA-N	423.944	5.114	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](CC(F)(F)F)C3)c2)cc1	434141775	MWMYYNOJIFDWMY-GOSISDBHSA-N	417.431	5.138	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(O)c(Cl)c3)cc2Cl)c1	436674573	QHBDBKALFWTEEU-UHFFFAOYSA-N	413.260	5.402	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccccc1	437873282	QKJRVFBLUIJGPG-ILBGXUMGSA-N	411.505	5.569	30	20	HKED	
CCOc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C(F)(F)F)c1	438214986	KZXLIABXMPQDNH-PXNSSMCTSA-N	417.431	5.408	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)cnn1-c1cccc(C#N)c1	439663431	LOGSDPGIGVVMDB-SFHVURJKSA-N	401.514	5.230	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12	444301821	GZWMPIYENRKPFH-HXUWFJFHSA-N	414.553	5.885	30	20	HKED	
Cc1noc(C2CC2)c1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	444826287	LUPUBNZUBQMXIY-UHFFFAOYSA-N	408.845	5.822	30	20	HKED	
C=C(C)COc1cccc(N2C(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)c1	445959348	HTYYCLZGRJSCLZ-SFHVURJKSA-N	405.281	5.088	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	460524761	ZDWQLSQNNUVLRJ-QHCPKHFHSA-N	413.521	5.537	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1	462046631	KQDHJEIMLMMLBB-UONOGXRCSA-N	409.942	5.625	30	20	HKED	
COc1cc(C[S@](=O)[C@H](C)c2cccc(C)c2)ccc1OCc1cccc(C#N)c1	462991732	OBBPUWDRUOPAMN-QTEAWJPNSA-N	419.546	5.464	30	20	HKED	
N#Cc1c(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)sc2c1CCC2	463067665	NMKDZKNWQXAUBD-UHFFFAOYSA-N	403.385	5.035	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c12	474443085	BYCXHAWGYOHXQR-INIZCTEOSA-N	420.469	5.407	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1	475183312	NZIMGVUKMZOSCX-SFHVURJKSA-N	414.509	5.249	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	477442120	HEPUKOMJFCBUKQ-FXAWDEMLSA-N	423.488	5.309	30	20	HKED	
CC(C)[C@@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	482129885	FYAAWLROHZAZOK-LJQANCHMSA-N	422.579	5.470	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nccc2ccccc12	483204741	TUWWSRFBMJJZRL-QFIPXVFZSA-N	400.441	5.335	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)c(OC2CCCC2)c1	483210866	MUCJPKNZHQSXCS-HXUWFJFHSA-N	415.493	5.230	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	483980513	MVQWIPJQVYUEDI-INIZCTEOSA-N	417.852	5.350	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	484292002	PNXFDVNFFXADAT-GOSISDBHSA-N	414.505	5.587	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](c1ccccc1)C(F)(F)F	485317598	RNZWXNHAFWOXQP-HXUWFJFHSA-N	414.383	5.106	30	20	HKED	
CCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1ccc(Cl)cc1	485322089	QYTOZOSWLNPQGT-UHFFFAOYSA-N	419.916	5.156	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1OCc1ccccc1F	485513401	AVQQNQXWPJBCDU-INIZCTEOSA-N	421.497	5.304	30	20	HKED	
C=CC[C@H](C(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1)c1ccccc1	487791672	ZCHYFXRMVCQOTJ-IBGZPJMESA-N	401.453	5.148	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1	491892777	SMCDNZFAJNPGJN-UHFFFAOYSA-N	415.580	5.323	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]4CCC[C@@H]43)s2)c(C(F)(F)F)c1	496312436	NVXNOGJGTALYRY-DYVFJYSZSA-N	420.460	5.031	30	20	HKED	
CSc1cccc([C@@H](NC(=O)NCC(C)(C)CCC#N)c2ccc(F)c(F)c2)c1	498290245	YLVYDGURAWJRPA-HXUWFJFHSA-N	417.525	5.405	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1	501148016	LAATWMGSQNDPIP-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nc(C)nc(C)c1C#N	501666633	SMJZNBRYSOBCGJ-UHFFFAOYSA-N	416.978	5.254	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3C)n2)nnc1-c1cccnc1	503688050	JWGPGKCOFXDFET-UHFFFAOYSA-N	420.567	5.327	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(CCC(F)(F)F)cc2)CC1	503718179	QIUGTGMQYIZWJZ-UHFFFAOYSA-N	416.443	5.173	30	20	HKED	
C[C@@H](NC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccc(C#N)cc1	505325192	MDSLMKGEFRMNQW-KVRYQGLBSA-N	407.517	5.216	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1	505359479	KNZVBRVLRCCVNO-INIZCTEOSA-N	418.362	5.089	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccccc2Cl)c1	505638639	RADIUERPOVBDNY-GOSISDBHSA-N	418.324	5.363	30	20	HKED	
COCC[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccco1	505668366	GMERFIZXVONHJK-LJQANCHMSA-N	410.857	5.105	30	20	HKED	
CCOc1ccccc1C1=CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	512375469	SIVTZRQPMWZQTL-UHFFFAOYSA-N	412.537	5.152	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	516381290	NDFQYJVDVDJCFX-QGZVFWFLSA-N	401.466	5.107	30	20	HKED	
C[C@@H](Cc1ccsc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	516469008	OAUNNEYDPOLEDA-KRWDZBQOSA-N	405.523	5.146	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H](C)c3ccc(C#N)cc3)s2)cc1	517418298	YMCUOEWODQIJRZ-NVXWUHKLSA-N	404.539	5.420	30	20	HKED	
Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N	518654595	IORYNDAJZANZLU-QGZVFWFLSA-N	422.579	5.306	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1	518738952	GWMHTIICOUJPIX-LSDHHAIUSA-N	406.473	6.232	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4cccs4)no3)cc2)cc1	519057846	WCJKBVWTKOLZBC-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C	521173590	BTHQKIGBKFMPQR-QGZVFWFLSA-N	407.539	5.244	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12	521541595	XYSATMYJTVZJGV-UHFFFAOYSA-N	415.493	5.279	30	20	HKED	
Cc1cccnc1[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(C)C	522311248	YWTOSAJDEBPZJU-JOCHJYFZSA-N	403.457	5.320	30	20	HKED	
CCC[C@@H](CNC(=O)CSc1cc(C#N)ccn1)c1ccc(Cl)cc1Cl	524289930	JIMUHAKTLZUSIE-AWEZNQCLSA-N	408.354	5.052	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(F)cccc4[nH]3)cc2F)c1	524498130	OASVFVMQNLBXFN-UHFFFAOYSA-N	403.388	5.149	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)c2)cc1	525046730	JECFSDBTZIZDAV-YADHBBJMSA-N	418.443	5.352	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC=C(C(F)(F)F)CC2)cc1	534546886	VAMHXVCIJLMGIU-UHFFFAOYSA-N	402.441	5.185	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3CCC(F)(F)F)s2)cc1	535459325	LMRCOHATOBTXDV-UHFFFAOYSA-N	415.440	5.353	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC=C(C(F)(F)F)CC2)cc1	536056864	FSLIHLIEDKCBCV-UHFFFAOYSA-N	415.415	5.058	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NCc3nnc(-c4cccc(C#N)c4)o3)cc2)c1	537098939	BBUAOWWSAQNLDC-LJQANCHMSA-N	424.504	5.347	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)nn1-c1ccc(Cl)c(Cl)c1	538581227	LAKBYVXDODITMX-ZDUSSCGKSA-N	411.248	5.119	30	20	HKED	
CCC[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1F	539324717	FGUDAVDFWKSJPD-DNVCBOLYSA-N	417.525	5.286	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OC(F)(F)F)n2)cc1	540376216	JYTOQWQCNFMGAT-OAHLLOKOSA-N	418.396	5.207	30	20	HKED	
N#C[C@H]1CSCCN1C(=O)c1oc2ccccc2c1CSC1CCCCC1	540450532	NVHDVNDPPHAOKC-HNNXBMFYSA-N	400.569	5.080	30	20	HKED	
C[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543863188	NOAHVHBACDMFOT-GKVSMKOHSA-N	413.496	5.035	30	20	HKED	
C[C@H](Nc1ncc(C(=O)N(C)C)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	543895366	YMLDMDOVSRQUEH-HNNXBMFYSA-N	404.901	5.149	30	20	HKED	
Cc1cc(F)ccc1-n1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)n1	543986160	NQFIRFVPCUPIIN-AWEZNQCLSA-N	410.861	5.073	30	20	HKED	
N#CCCN(C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccc(F)cc1	550209211	HMMUECZYGNMGHO-UHFFFAOYSA-N	415.184	5.167	30	20	HKED	
FC(F)(F)c1ccc(C#CCN2CCC[C@H]2c2ccc(Br)cn2)cc1	550705426	SSEQRHBIKIMFOE-SFHVURJKSA-N	409.249	5.052	30	20	HKED	
N#Cc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F	551651787	BWWNMXPLJQGFES-HNNXBMFYSA-N	404.285	5.140	30	20	HKED	
CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1	552497574	QQAZEGMGXYZDNA-LJQANCHMSA-N	417.553	5.210	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1	558342889	UUFPGFSLZOJINN-AWEZNQCLSA-N	419.497	5.338	30	20	HKED	
Cc1c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cccc1-c1ncco1	571469842	HZXNDPGLGXFPTE-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
COc1cccc([C@H]2C[C@H](C)CN2Cc2cn(CCC#N)nc2-c2ccccc2)c1	572022197	PJXKYYODWKDILM-YADARESESA-N	400.526	5.055	30	20	HKED	
N#Cc1ccc(CNc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(C(F)(F)F)c1	576032244	BOZUZHVKERKDNP-UHFFFAOYSA-N	419.422	5.847	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	576972727	BCDBNXCDWDWBOP-UHFFFAOYSA-N	418.324	5.305	30	20	HKED	
COc1cc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)ccc1OC(F)F	591780399	FCMNXSVGDUCPIG-UHFFFAOYSA-N	411.273	5.203	30	20	HKED	
C[C@@H]1CCC[C@@](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)(N(C)C)C1	604438158	JHFGRNJWBHOIJC-KBMIEXCESA-N	421.610	5.091	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1	604456122	AOJAWZAZJWELQD-UHFFFAOYSA-N	410.474	5.200	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1	605412700	PLYSBNWRENZNJT-FQEVSTJZSA-N	404.470	5.061	30	20	HKED	
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1	608896758	IENWNIFFXUKQAM-UHFFFAOYSA-N	418.880	5.696	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc2ccccc12	609377892	KAGYYLGNRJSBDJ-UHFFFAOYSA-N	420.481	6.107	30	20	HKED	
COc1ccc(CCCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	609378580	WJKGVBYGJVBWNS-UHFFFAOYSA-N	422.472	5.681	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1cc2ccccc2o1	609438070	AWEWYJMMWYGIDS-IAGOWNOFSA-N	407.539	6.442	30	20	HKED	
COc1ccc(Br)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	610174906	LRZNHGLWTMWSHX-LBPRGKRZSA-N	405.317	5.104	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	613392555	UOIBZDPXXXOLQS-HNNXBMFYSA-N	423.563	5.655	30	20	HKED	
N#C[C@H](C(=O)c1csc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	613405306	XKJDJRFRAYNXPX-GFCCVEGCSA-N	402.422	6.020	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(CCCOc3cccc4ccccc34)no2)cc1	615131392	KKICQKJBKBRTNF-QHCPKHFHSA-N	424.504	5.448	30	20	HKED	
O=C(CCCOc1ccc(F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642157309	FYLSLEUHSXPNHF-RYUDHWBXSA-N	415.349	5.010	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4onc(C(C)C)c4c3)n2)cc1	642281255	SRZDOGMKXHYLIA-QGZVFWFLSA-N	402.479	5.268	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)cc1NC(C)=O	726427940	BLQKMVBPPKTFBX-CMDGGOBGSA-N	412.898	5.327	30	20	HKED	
C[C@@H](c1cccs1)N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S	726801652	JCOHTNAQHHPPPX-RVAQLADHSA-N	414.577	5.393	30	20	HKED	
Cc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccccc2)cc1	729241372	XVXIYAVGJFLUGB-UHFFFAOYSA-N	412.518	5.437	30	20	HKED	
CC[C@@H](Oc1ccccc1C(C)C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	730070854	BVDNIGDNJOIPKS-VQIMIIECSA-N	411.452	5.589	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2SCCC#N)ccc1OCc1ccccc1	730981973	FXJUYNRTXHWFBP-UHFFFAOYSA-N	418.518	5.532	30	20	HKED	
CCN(C(=O)c1ccccc1OCC#N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	733109969	QSFAHOFFGGBJGD-VWLOTQADSA-N	413.521	5.359	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COc3ccccc3)c2)c1	733844234	UJYWJPBXFQOWJB-QFIPXVFZSA-N	415.493	5.268	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccc(N2CCC(O)CC2)cc1	734235708	UJSPBMWLZWWNRR-PKNBQFBNSA-N	423.965	5.926	30	20	HKED	
C=CC[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccncc1	734461214	XILMSPSQQMIVJC-MRXNPFEDSA-N	404.322	5.559	30	20	HKED	
COc1cc(Br)c(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc1OC	741473465	QFBCLUFMFOJIFV-VOTSOKGWSA-N	424.294	5.424	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038393	SMEJNJPDHVAFOS-WONIAPNHSA-N	419.353	5.730	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)c3c4ccccc4cc4ccccc34)o2)c1	744488580	AEJVLHMCGXGACV-UHFFFAOYSA-N	405.413	5.272	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c(F)cccc2Cl)c1	744761435	JFBZARHHQMUDJJ-UHFFFAOYSA-N	418.925	5.252	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccc(C(F)(F)F)cc2)cs1	746578134	KPAAZYIATWNCRL-UHFFFAOYSA-N	422.407	5.432	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1	753121699	CPDRXQHZXMLBNR-CQSZACIVSA-N	417.456	5.357	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\SCc1ccco1	754232885	CHLGABQWMRFJGQ-LUAWRHEFSA-N	404.491	5.424	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	763470501	RNNWPZUURHETPW-MISYRCLQSA-N	421.541	5.084	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)C1CCC(C)CC1	764759816	SSVJTXWYFREZHY-OCUYMYNFSA-N	411.571	5.304	30	20	HKED	
N#Cc1c(Cl)nsc1Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	766112746	RFEOTSWGMKAAON-UHFFFAOYSA-N	407.257	5.457	30	20	HKED	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(F)F)CC1	766684200	JSRBNSGUIVQRIR-OWOJBTEDSA-N	401.297	5.241	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3c(F)c(F)c(F)c(F)c3F)o2)cc1	768460500	CYKZRIUXVLLWSO-UHFFFAOYSA-N	414.355	5.289	30	20	HKED	
CC(C)c1c(C(=O)OCCCCC(C)(C)C#N)cnn1-c1ccc(C(F)(F)F)cn1	768578772	IQXAXWQBSMOFBM-UHFFFAOYSA-N	422.451	5.286	30	20	HKED	
CC(C)(C)OCc1cc(COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)no1	775191799	LRFXOMUDLRICLS-UHFFFAOYSA-N	424.428	5.150	30	20	HKED	
Cc1sc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)nc1-c1ccc(Cl)cc1	776162940	CIMRDNWDBRMWRH-HUUCEWRRSA-N	411.958	6.086	30	20	HKED	
N#Cc1cc(N[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)ccc1N1CCC(O)CC1	777117417	YYLPDPJCVDYCCJ-QFIPXVFZSA-N	416.352	5.389	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)on1	778123046	XZGABSMDZXDASC-KRWDZBQOSA-N	413.477	5.084	30	20	HKED	
C[C@@H](N[C@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccc(OCC#N)cc1	779081876	DRSBZIGZMNVLCA-SPLOXXLWSA-N	417.322	5.683	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1nc(-c2cc(Cl)ccc2Cl)cs1	779988163	APMOUALIAAUYLT-LBPRGKRZSA-N	404.322	6.020	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1Cl	780363998	XIMFLRSNEFXQIN-MRXNPFEDSA-N	416.695	5.950	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc2)n1	781034183	IFCXTKJXJAISPQ-OAHLLOKOSA-N	409.536	5.287	30	20	HKED	
CCCCc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	782825530	IYIWNWULZVKWOU-DEOSSOPVSA-N	411.505	5.262	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2csc(Cl)c2)cs1	787186337	NZONDVDELZABNF-DAXSKMNVSA-N	423.346	6.092	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)c1nccc2ccccc12	792090350	FSGOUXAZSCJCMP-FQEVSTJZSA-N	407.311	5.587	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nccc2ccccc12	792098019	ZVLMTACGFYHFNY-NXCFDTQHSA-N	418.496	5.794	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2nc(O)oc2c1	794715981	OPFHJFAIUITRML-RJRFIUFISA-N	401.262	5.467	30	20	HKED	
C[C@@H]1C(=O)CC[C@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	796644308	VIPVPALWMRCCAN-MJVIPROJSA-N	407.322	5.298	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccccc1	814633042	HJEQFRGEXAWAAI-QHCPKHFHSA-N	400.482	5.217	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4cccc(Cl)c34)n2)cc1	815921723	QBPYGMRGVDLHJK-MRXNPFEDSA-N	416.893	5.235	30	20	HKED	
C[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1nc(-c2ccccc2)cs1	815941067	PFEBEAAGFJHCLC-NSHDSACASA-N	403.385	5.014	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1[nH]c(-c2ccccc2)nc1C	915112155	WOIQRNKTNBKCEX-UHFFFAOYSA-N	410.403	5.183	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc2ccccc12	916886035	CRAJJAQYCKFBEU-CQSZACIVSA-N	402.447	5.177	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	920804509	SKEXDUISGSKAHF-KRWDZBQOSA-N	404.441	5.660	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC	920962377	CUDSGZCWVXTBCM-ALCCZGGFSA-N	412.700	5.872	30	20	HKED	
CC(C)n1c(O)nc2ccc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc21	1633842196	VFWOBJLJMPOCKS-KRWDZBQOSA-N	424.504	5.352	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(C)ccc5[nH]4)cc3)CCC2)C1	1788964746	DLOKTAPOZUFBDI-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1	1789453126	MLKJBYWYJZLXDB-JOCHJYFZSA-N	406.526	5.115	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3OCC)cc2)CCC1	1790240835	PESSEXRKIDWCPN-SFHVURJKSA-N	406.526	5.045	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3F)CCC2)cc1	1791581130	WZEUDEZBSGHBJR-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1cccc(C)c1	10167255	OBHYQRARBOWETO-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(C(C)(C)C)cc1	15247382	DLJOTFVDOBPQTH-UHFFFAOYSA-O	417.598	5.885	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1	23973928	VPSWCTQFGFGDKN-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1ccc(F)cc1	26215839	ZRJITFHSWZUZAE-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1	30847895	LNUMDHKMCFPGDS-UHFFFAOYSA-N	408.889	5.153	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)n2)cc1	41513857	CRUKPDUKWYZXDN-BBRMVZONSA-N	419.531	5.041	30	20	HKED	
COc1cccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1	96924479	PFQAMAGSGMLVRV-CLFYSBASSA-N	414.433	5.011	30	20	HKED	
N#C[C@@H](C(=O)CSC1=Nc2ccccc2CS1)c1nc(-c2ccccc2)cs1	97568615	GSCHVOWFVYLNRP-INIZCTEOSA-N	421.572	5.654	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	107832655	ASKCTTCKBMWTSM-UHFFFAOYSA-N	421.469	5.256	30	20	HKED	
Cc1ccccc1/N=C1\N=C(O)/C(=C/c2ccccc2OCc2cccnc2)S1	206954908	ZVYDFUQVRMOTDD-BKUYFWCQSA-N	401.491	5.701	30	20	HKED	
C[C@@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)c1ccc(C#N)cc1	301110363	MTAJETNBHPSSPX-CQSZACIVSA-N	412.522	5.072	30	20	HKED	
C=CCn1c(SCc2csc(-c3cccs3)n2)nnc1-c1ccoc1C	301633958	HNPMEFQYBJEQJC-UHFFFAOYSA-N	400.554	5.510	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)c1	426172606	BXYQHTGLNDDYHU-GOSISDBHSA-N	403.894	5.810	30	20	HKED	
N#Cc1ccc(NC(=O)c2csc(-c3cc(Br)cs3)n2)c(Cl)c1	430356688	RAWUELXXBWMZFA-UHFFFAOYSA-N	424.732	5.411	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3cccc(C#N)c3C)s2)cc1	431744741	OFKJARFEBKGPOY-QGZVFWFLSA-N	404.539	5.832	30	20	HKED	
Cc1cc(F)ccc1C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	433117819	OSJSIHWMCNKFEC-MRXNPFEDSA-N	411.546	5.797	30	20	HKED	
N#Cc1cccc(C2(C(=O)N[C@@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)c1	435360170	BDQQCMKMGSUTNS-HXUWFJFHSA-N	417.509	5.046	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	437859936	GLGIUMCGCLIIEV-IBGZPJMESA-N	417.431	5.567	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2cc(Br)cs2)cs1	438838833	UGDDTOZPVNFNCB-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@H](CN(C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1	442292518	MXWZYOHFBNODNI-WIYYLYMNSA-N	423.523	5.086	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(Br)s1	443303758	AEFVXVNQFFMLDG-KBMXLJTQSA-N	418.360	5.053	30	20	HKED	
O=C(Nc1c(F)cccc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444027480	YYHQUSKKDKLAJP-CYBMUJFWSA-N	412.280	5.799	30	20	HKED	
COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cn(CCCC#N)c3ccccc13)[C@@H]2C	444264174	CMOPOPCVYDGJDH-ZWKOTPCHSA-N	401.510	5.102	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3cccc(C#N)c3F)C2)n1	447389807	AWZPNJVJOOUIGR-SFHVURJKSA-N	407.514	5.209	30	20	HKED	
COc1cc(C)ccc1OCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1	460343959	UNIYPIUXDRFSDY-UHFFFAOYSA-N	420.896	5.141	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	463820841	YWJSFZCXNGFIEY-SBUREZEXSA-N	403.913	5.348	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	464165970	GLDHGCQYJJNTPI-SFHVURJKSA-N	400.478	5.062	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(F)cc1F	464975202	WLLVQVRBHPWYGS-OAHLLOKOSA-N	408.473	5.521	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccc3)c2)o1	467106815	MMDOZDMICCSAMP-HSZRJFAPSA-N	400.478	5.195	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](c2ccsc2)O1	470804702	UEBXPBXHWGRPOA-KSFYIVLOSA-N	419.506	5.406	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NCc2nnc(-c3ccc(C#N)cc3)o2)cc1	471683218	RCCCCBXMITUHMM-KRWDZBQOSA-N	412.518	6.074	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1	475161383	IVNVIOHTZHGQHJ-OALUTQOASA-N	407.583	5.320	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(F)c(F)c1	477753615	FTVIMYGOXKAHEP-FGZHOGPDSA-N	411.427	5.205	30	20	HKED	
COc1ccc(-c2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)nc2)cc1Cl	481144366	ORSNXWGIYMCRQQ-SFHVURJKSA-N	405.885	5.437	30	20	HKED	
C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2ccccc2)n1)c1ccc(F)c(F)c1	481577446	YSZTZKOEYCOVNI-OAQYLSRUSA-N	413.493	5.513	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)c2cc(Br)ccc2n1	483201920	SFJLFTGBYFDEJZ-LJQANCHMSA-N	416.278	5.344	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1Br)c1c(F)c(F)cc(F)c1F	484798219	OHZCPROPXBQJBJ-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(C)c(C)c1	489656674	HICRPLASSLFEKV-GOSISDBHSA-N	407.539	5.023	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1	489662381	SVNCUANGFXPADF-UHFFFAOYSA-N	416.974	5.741	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	497803368	CMFLWWZAIOQCSR-VXKWHMMOSA-N	420.434	5.621	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1ccccn1	497895200	BAOREJOCUFNVIB-HXOBKFHXSA-N	419.912	5.012	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccc(N)cc2Cl)n(C2CCCC2)c1C	502136959	FGCVYCBBEARTQA-UHFFFAOYSA-N	402.951	5.058	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1Cl	503485481	HZSMMHMITHGMDZ-IBGZPJMESA-N	419.868	5.046	30	20	HKED	
Cc1sc(NC(=O)c2cc(F)c(F)c(F)c2F)nc1-c1c(F)cc(F)cc1F	504704502	XDKDDZSRDSOXBB-UHFFFAOYSA-N	420.309	5.345	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N	506224042	CIQMSEAFNHFTJR-HNNXBMFYSA-N	416.955	5.225	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)CC1	507231932	GOICFQZSEZFBRC-UHFFFAOYSA-N	410.223	5.092	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1	510428275	LPJXFKACHZLEIZ-UHFFFAOYSA-N	414.292	5.506	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](CCC#N)c1ccccc1	512044561	GCXPXCMAJSZJNA-RDTXWAMCSA-N	423.866	5.711	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(OC(F)F)cc3F)cc2)cc1	512494985	LQRMQTOWQOGWGN-UHFFFAOYSA-N	412.367	5.538	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1	513495947	XJNQJVGZASTEIO-CUNXSJBXSA-N	412.533	5.395	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(C)o4)n3)n2)cc1	516270223	QASUHDXVFVEHKU-HNNXBMFYSA-N	421.503	5.334	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)s2)cc1	517422833	UHWVZJOLMSYHOK-UHFFFAOYSA-N	412.518	5.172	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1	517454747	HMPAWPQUGSNLKQ-XYPHTWIQSA-N	415.356	5.443	30	20	HKED	
COc1ccccc1CCN(C)C(=O)c1ccccc1Sc1ccccc1C#N	517857508	JIZXHZKYOOMSIM-UHFFFAOYSA-N	402.519	5.033	30	20	HKED	
C=CCN(C(=O)c1cccc(OCCC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	518173709	QPSJIEROJBDNFM-UHFFFAOYSA-N	423.494	5.340	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(C)nc1-c1ccccc1Cl	520879169	PMBIIGFEZQRTJV-UHFFFAOYSA-N	406.338	5.284	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3cc4ccccc4n3Cc3ccccc3F)[nH]c12	522829215	XRTLERXBUNZGJQ-IBGZPJMESA-N	422.463	5.504	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523947173	RSLPVNLJWQJNEQ-UHFFFAOYSA-N	419.912	5.494	30	20	HKED	
N#CCC[C@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccccc1	532805366	SSQSXTXJDFZQHB-SFHVURJKSA-N	402.350	6.252	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	534455222	KXKQJGGSCUJVPL-HNNXBMFYSA-N	423.504	5.348	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1Br	534598580	SJZSICSUKLMYRL-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(-c4ccoc4)c3)s2)cc1	535481355	VDCYPFOIWFXUDP-UHFFFAOYSA-N	418.503	5.214	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1F	535625158	AASSQMNCKDPBDG-UHFFFAOYSA-N	410.692	5.275	30	20	HKED	
N#Cc1c(Cl)cccc1SCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1	538944569	AEKXOZPLFSNXGT-HXUWFJFHSA-N	416.930	5.410	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)ccc1NC(=O)c1cccs1	539173647	UKNDDUAQIVXWSO-UHFFFAOYSA-N	423.563	5.792	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Cl)sc1Cl	540050450	STRHUHBWDKTIJY-SNVBAGLBSA-N	400.356	5.628	30	20	HKED	
CN(C(=O)c1ccc(-c2ccc(Br)s2)s1)c1ccccc1C#N	542926982	CPZSPERKYFBNEO-UHFFFAOYSA-N	403.326	5.387	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1nccnc1Sc1ccccc1	543141867	MVXWZKAWADFWHT-OAHLLOKOSA-N	406.536	5.132	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(-c2nc(Cc3c[nH]c4ncccc34)no2)cc1	546477956	HTUUDITXEUXMNM-UHFFFAOYSA-N	407.433	5.176	30	20	HKED	
C=C(C)Cn1c(C2CC2)nnc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	549274742	RCZAJDBTOWRGJM-UHFFFAOYSA-N	421.372	5.224	30	20	HKED	
N#CCCC[C@H](N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1	551223832	ZIWGQFYGDWSUKA-LEWJYISDSA-N	405.542	6.351	30	20	HKED	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	562101259	BOMWEQRZGKADBS-ZNLUXHQJSA-N	422.960	5.086	30	20	HKED	
C=CCN1CCC(NC(=O)N(Cc2ccc(-c3ccccc3F)s2)C(C)C)CC1	592526892	UMZXPTOXIXUUNY-UHFFFAOYSA-N	415.578	5.125	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3COc3ccccc3)cn2)c1	603624176	UTDMAEMUFSAOLH-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1	603763514	CVZCSXOXDSDSOB-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(CCO)Cc3ccccc3)cc2Cl)cc1	604090351	WAWBLIJUHXHBAA-UHFFFAOYSA-N	421.884	5.030	30	20	HKED	
CC[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(C)noc1C	604572694	LWWSRLGGNYEOKI-GOSISDBHSA-N	409.873	5.741	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccccc1Cl	609078782	NTOYQZSYKFQWNV-UHFFFAOYSA-N	419.912	5.763	30	20	HKED	
Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	609207369	TWZBNFHRDDDZLW-VWLOTQADSA-N	411.505	5.449	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)c1	609428580	UXIRBLFBPOFECG-MRXNPFEDSA-N	407.564	5.694	30	20	HKED	
N#CCN(C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)C1CCCC1	609976729	KEXYWQNLZUQDKU-UHFFFAOYSA-N	408.498	5.773	30	20	HKED	
COc1cc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1C	610158863	RCMCCUSOLPAYCH-UHFFFAOYSA-N	416.546	5.140	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	612804340	JBOKNUDVCWDPRE-WXHSDQCUSA-N	414.365	5.438	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(CC(=O)N(CC)c3ccccc3)cc2)cc1	614910943	JIAXAWJCVZRDKS-UHFFFAOYSA-N	414.505	5.099	30	20	HKED	
Fc1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cs2)cc1	618449948	IBIVIMFBQPLCCU-TXEJJXNPSA-N	412.374	5.512	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)s2)c(C)c1	622283168	OFDQPKCFMNKCCO-HNNXBMFYSA-N	422.460	5.662	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	644786600	ARXIACPQGHMCTI-SECBINFHSA-N	403.307	5.152	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)s1)c1nc(-c2ccc(Cl)cc2)cs1	671751137	OIPJPGMXVBRHPM-NSHDSACASA-N	412.845	6.034	30	20	HKED	
C=C(CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1	672481581	WZZAEMXUTDGOAR-HSZRJFAPSA-N	418.924	5.031	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1F	677855316	LCXICRYZMZLLSV-JIGDXULJSA-N	409.704	5.258	30	20	HKED	
O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	679383655	HJZREOQYDMLVBH-HRCADAONSA-N	424.360	5.144	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727223002	MZZXXFVCMNQGQG-RUZDIDTESA-N	408.505	5.656	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	727233992	XEHPAMFGETUGPS-CMPLNLGQSA-N	424.831	5.612	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1	728482411	LOXSVFFGQDXSOA-UHFFFAOYSA-N	409.411	5.026	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccc(O)cc3)n2)cc1	728602723	OVOYPPQIZCVROG-NRFANRHFSA-N	411.486	5.423	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](c1ccccc1)C(F)(F)F	728767204	XLOBTERVHWCDCY-OALUTQOASA-N	416.443	5.195	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	729832206	LAOKSXOKASPNSI-UHFFFAOYSA-N	409.314	5.157	30	20	HKED	
N#CCOc1ccc(CNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)cc1	730218522	NJRGVLONXDIOAU-QFIPXVFZSA-N	424.472	5.017	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C(C)(C)C)no1	730375922	OQTUZUSITWXTKR-ZDUSSCGKSA-N	409.417	5.088	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2)c1	731331313	BETNLVQXPLSICL-UHFFFAOYSA-N	424.913	5.313	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)o1	732764237	NHURLCXUXLFSIP-RDTXWAMCSA-N	410.543	5.042	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc([C@@H]2C[C@H]2C)o1	732764996	ZTFSTJBQCKJNQN-SJKOYZFVSA-N	423.925	5.685	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1cccc(Cl)c1Cl	735318083	INOXHYPVNJADFG-UHFFFAOYSA-N	415.729	5.421	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(Cl)c2)[n+]2ccc(C)cc2)c1	736268289	BJDQPQYBGDUDKB-UHFFFAOYSA-O	423.920	5.380	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)/C=C\c2ccccc2C#N)nc1-c1ccccc1	740727518	QQIKDZXPMNKJOJ-KSAKKHMLSA-N	411.505	5.714	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1	743475889	WWHQSTLZBOTDRU-MOPGFXCFSA-N	418.566	5.105	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@]12CCc1ccccc12	744027925	CTGCTPJLXJOTEX-CLHVYKLBSA-N	422.484	5.030	30	20	HKED	
O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1cnn(-c2ccccc2)c1	746345798	KMNNGWBVMWCMEK-FLIBITNWSA-N	421.909	5.457	30	20	HKED	
C[C@H](Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)c1)C(=O)O	746682887	FDVVGOCMAZUWJE-TZIYXEQSSA-N	412.388	5.189	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccsc2)ccc1OCC(=O)N(C(C)C)C(C)C	749101374	DWLVJAGCDPZTIH-VQHVLOKHSA-N	415.555	5.067	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccnc(Oc3ccccc3)c2)cc1	749337636	ITVKKTYGRLVHJO-JTSKRJEESA-N	413.477	5.349	30	20	HKED	
N#Cc1csc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c1	752587690	UTKWQXDWBQRIGG-UHFFFAOYSA-N	424.092	5.029	30	20	HKED	
C[C@H](OC(=O)c1ccccc1OCC#N)c1ncc(-c2ccc(Cl)cc2Cl)o1	753353752	HKHXALSAVLRYTO-LBPRGKRZSA-N	417.248	5.469	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(Cl)ccc1SC1CCCC1	754465221	OCIYWMGBVXTMHO-AWEZNQCLSA-N	400.931	5.918	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(F)(F)c2nccs2)cc1Cl	756650077	CWAACJZHQTXHFO-OAHLLOKOSA-N	403.841	5.182	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(Cl)s1)[n+]1ccc(C(CC)CC)cc1	759049603	IHQBDIYEWZMNEM-UHFFFAOYSA-O	405.996	5.027	30	20	HKED	
N#Cc1cc(N[C@@H](Cc2ccccc2F)c2ccccc2)ccc1N1CCC(O)CC1	759997721	KGTGJCXSHNAYGO-VWLOTQADSA-N	415.512	5.054	30	20	HKED	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(C#N)cc1)c1ccc2ccccc2c1	761332010	ZQSMZCZNUBZAOU-HSZRJFAPSA-N	401.510	5.067	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3ccccc3)nc2C)ccc1OC	772979855	OBAXOZYXTBHPEH-OXJNMPFZSA-N	421.566	5.659	30	20	HKED	
CSc1cccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccc(F)c(F)c2)c1	776164301	YUNPLDUMVSLSEM-FYSMJZIKSA-N	424.516	6.029	30	20	HKED	
N#CCOc1ccc(CN[C@@H](c2ccccc2)c2ccccc2Br)cc1	779093095	KVJHVUOIDLQZEV-QFIPXVFZSA-N	407.311	5.231	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3c(C4CC4)nc4sccn34)cc2)c1	779595428	ZRYJCZSDJKZLLB-UHFFFAOYSA-N	400.507	5.336	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)nn1-c1ccc(Cl)c(Cl)c1	780157526	IIMHGZMXPCSDLA-CYBMUJFWSA-N	415.280	5.031	30	20	HKED	
N#CC1(COC(=O)CCc2ncc(-c3ccccc3Br)o2)CCCCC1	780495437	NWDSCCNWJBMDMP-UHFFFAOYSA-N	417.303	5.054	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	780512822	TVLRJZUIHWZWCP-HNNXBMFYSA-N	418.428	5.013	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1	788311819	NBUJVUUOLDYFPT-HXUWFJFHSA-N	423.557	5.774	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	789144530	VMRMFZSQTSBGBR-XITLMJRVSA-N	413.470	5.386	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1	794701287	LKYBZGBIONVWTN-STKCSNAVSA-N	402.446	5.110	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccc(F)cc1OCC#N	798213615	JXHZSMLVGPDGQV-UHFFFAOYSA-N	420.227	5.251	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1	810174603	VXVMUGJDXIOOGB-HXUWFJFHSA-N	422.529	5.034	30	20	HKED	
O=C1/C(=C\c2cnn(CC(F)F)c2)CCc2nc(-c3ccc(Cl)cc3)sc21	814188227	IMMYOWYOCYWLBR-QPEQYQDCSA-N	405.857	5.138	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccccc2F)ccc1OCc1ccc(C(=O)OC)o1	916135669	FQJVDWKAXXYMOR-FLIBITNWSA-N	424.424	5.079	30	20	HKED	
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	916383694	ONLABLKVPDOSTG-DYESRHJHSA-N	404.897	5.710	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917044347	SSUBSFJIYPYFGD-RDJZCZTQSA-N	411.452	5.507	30	20	HKED	
N#C[C@H](C(=O)C=C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	917430892	HOYJOZVBGAESIM-MRXNPFEDSA-N	403.334	6.040	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CSc3ccc(F)cc3C2=O)cs1	917560095	QRLWUHJZMQQEJK-DHDCSXOGSA-N	424.522	5.647	30	20	HKED	
Cc1cccc2sc(N(Cc3ccccc3)C(=O)COc3cccc(C#N)c3)nc12	918551989	LFPIARQLXZRUOK-UHFFFAOYSA-N	413.502	5.089	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCOc3cccc(C)c3)n2)cc1	920109557	HYXNHPCGXOEJFD-OAQYLSRUSA-N	404.535	5.853	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(=C)C(F)(F)F)cc2)CCC1	1791302708	HJXWKYMXECLOIM-GOSISDBHSA-N	406.448	5.007	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@]3(F)Cl)cc2)CCC1	1791675272	VPULBLWHRXUZBK-VGSWGCGISA-N	406.929	5.037	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1	1822980046	PUPGVRJOGHHPQD-NTKDMRAZSA-N	412.578	5.141	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccccc1OC	5319425	CYCFMKNLKKIFDC-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)n1	8529168	KQHYCBQEKQIGRL-UHFFFAOYSA-N	421.570	5.096	30	20	HKED	
CCC[C@H](NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1	10399240	HVYSZVAFNXXLNX-KDOFPFPSSA-N	421.488	5.419	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccoc1C	14063895	FUTYHCIYAIIJNT-UHFFFAOYSA-N	423.325	5.070	30	20	HKED	
C=C(C)CNC(=S)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1	15662690	BFTVQFPXXPMZRN-UHFFFAOYSA-N	404.583	5.039	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(OC)c(Cl)c2)nnc1-c1cccc(C)c1	25491393	JHMXADKOSVKLNR-UHFFFAOYSA-N	413.930	5.077	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1	28373708	QSNYLQFWUJAFRV-DEOSSOPVSA-N	413.521	5.597	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc2ccccc2n1C(F)F	41559606	YMQALJGOHAIAJS-INIZCTEOSA-N	404.420	5.282	30	20	HKED	
C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2	42605611	QLJVKUQXFUQHSM-LLVKDONJSA-N	413.499	5.022	30	20	HKED	
Cc1nc(NC(=O)CCOc2ccccc2-c2ccccc2)sc1SCC#N	107900159	MXGWDVCPZHMEBX-UHFFFAOYSA-N	409.536	5.142	30	20	HKED	
C=CCN(C(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1nc(-c2ccccc2)cs1	110646769	DDPGIADEFSGRRU-UHFFFAOYSA-N	410.449	5.457	30	20	HKED	
C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-c2cccnc2)cc1	428649106	JSZDKIQXMMJTCD-IBGZPJMESA-N	421.504	5.017	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)sc4c3)n2)cc1	433101503	HAQVXXOZRHCAGG-MRXNPFEDSA-N	405.504	5.227	30	20	HKED	
C/C(=C\c1ccc(-c2cccc(Br)c2)s1)c1nc(=O)c(C#N)c(C)[nH]1	435336947	RZEQFZXBYCMDEG-DHZHZOJOSA-N	412.312	5.002	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1F	437475127	AZGIZZPBLHRXLP-UHFFFAOYSA-N	416.387	5.271	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](COCc2ccccc2)C1	438078245	MYMYCNWDSUPTAR-AZUAARDMSA-N	409.555	5.009	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Br	439048114	RZSSFPDEVQOIIF-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	440928439	NUGGYETVBXQWTH-BPZDKFOGSA-N	406.917	5.447	30	20	HKED	
C=CCOCCCC(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C	443808055	KAZWAEQLVTYBDG-UHFFFAOYSA-N	420.578	6.383	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(-c2cccs2)c1	446862326	QEWVMBROTZYFKS-HNNXBMFYSA-N	421.547	5.244	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	463820113	WZBDDECSCBUBSX-UUOWRZLLSA-N	401.485	5.142	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCCCC2)no1	465253606	NJUBXHCXOPUZBV-HNNXBMFYSA-N	413.547	5.144	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1F	466653041	CNDVIBUZVCMZGJ-FZKQIMNGSA-N	420.257	5.031	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1	467612171	YDTZLRCLCNAHOR-DHIUTWEWSA-N	401.897	5.314	30	20	HKED	
Cc1cc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)sc1Br	469176661	YSUWWYUMQSDCQE-UHFFFAOYSA-N	418.360	5.014	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1	469408057	NFIJPJVEWWMHQR-CQSZACIVSA-N	406.473	6.031	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c2ccccc21	469807876	GYODJQQXUJLKKV-UHFFFAOYSA-N	403.873	5.036	30	20	HKED	
CC[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1	473436095	OSOWAHMKRVCFKG-NRFANRHFSA-N	416.443	5.141	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1	475546995	MLQLALDQAUOHHP-FQEVSTJZSA-N	421.585	5.458	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(F)c(Br)c2)nnc1-c1ccncc1	481345620	MEEOVSODZQBSCH-UHFFFAOYSA-N	419.323	5.110	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482328297	QIWYKWKDPXUXOS-MNOVXSKESA-N	410.280	5.339	30	20	HKED	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c12	483204445	RCSVHVNCFCOATE-GOSISDBHSA-N	423.501	5.044	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C	486987611	ORXHNNRVDQXFQI-UHFFFAOYSA-N	404.514	5.224	30	20	HKED	
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)o1	487193664	BCNXXSADDUHHPK-CQSZACIVSA-N	424.551	5.028	30	20	HKED	
C[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1	487201019	ZYRIHALDFHBONG-SNVBAGLBSA-N	409.301	5.277	30	20	HKED	
N#Cc1c(NC(=O)c2c(F)cccc2Br)sc2c1CCCCCC2	487491900	SDNZSCSCCXCPMW-UHFFFAOYSA-N	407.308	5.433	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)c1ccccc1	488630456	QNYTWSUKOUVTQP-FQEVSTJZSA-N	406.457	5.668	30	20	HKED	
N#CCN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2)C1CC1	495501082	CXFUAIQVNMVXRS-ICFOKQHNSA-N	413.908	5.503	30	20	HKED	
CC(C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1	498555826	SOLLJSHJULTDHW-ZDUSSCGKSA-N	412.465	5.233	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)s1	505034858	HYVAFZQVXAPEDO-MRXNPFEDSA-N	405.361	5.998	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(Br)s1	505938610	OGNMTOUGMXINPT-SKDRFNHKSA-N	417.250	5.014	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C2CC2)n1	507911119	YNCYGHXOJHONIP-UHFFFAOYSA-N	404.857	5.232	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc(C)c1OCc1cccnc1	509609630	SCQIDSZTSFZULO-UHFFFAOYSA-N	415.493	5.189	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccccc1)c1nccs1	510597343	LRXLTLKTWCXHTO-KRWDZBQOSA-N	403.960	5.345	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	510888010	OBDPTEIZDYOWAD-GOSISDBHSA-N	415.493	5.893	30	20	HKED	
Cc1ccc(C)c(OC2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1	511649076	RJGVBTWEEGLZKB-UHFFFAOYSA-N	414.553	5.124	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c(Cl)c1	513202211	UENQIBYFELPNSJ-QGZVFWFLSA-N	419.912	6.060	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	513210495	NZESAYDKBNKYDN-ZDUSSCGKSA-N	405.763	5.207	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	520530664	KHLOLYXQEWIRJL-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
COc1cccc(CNCc2ccc(C#N)cc2C(F)(F)F)c1OC1CCCC1	520666487	BDYUFPCYYBAMSI-UHFFFAOYSA-N	404.432	5.197	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)C2(c3cccc(F)c3)CCCC2)CC1	521112005	ZQVMEJDFVZRRDR-UHFFFAOYSA-N	406.501	5.016	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)on1	521385227	YZGDFYGGBSHBBL-LJQANCHMSA-N	422.872	5.669	30	20	HKED	
N#C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(Cl)c(Cl)c1	521885929	AVJMBXLCSORIED-OAHLLOKOSA-N	424.740	5.570	30	20	HKED	
CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(OC)cc1	523877011	BXHKSEVFHVRILO-UHFFFAOYSA-N	406.869	5.679	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1C#N	532505638	YNIXSQRHTWSDJU-INIZCTEOSA-N	420.538	5.367	30	20	HKED	
N#Cc1ccc(CN2CCC(Nc3ccccc3COCc3ccccc3)CC2)cc1	537408666	IUAAVQUJQMUAGV-UHFFFAOYSA-N	411.549	5.352	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)cc1	537516347	OBKKJSGGYNPRSS-FPOVZHCZSA-N	423.513	5.074	30	20	HKED	
Fc1ccccc1-c1cnc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)o1	540519251	GWRPADIEYZQXPC-QGZVFWFLSA-N	418.312	5.893	30	20	HKED	
C[C@H](N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1	542106370	LTKWBZMECITPQJ-ZWKOTPCHSA-N	409.533	5.867	30	20	HKED	
CN(C(=O)c1ccc(CC#N)cc1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	543108457	HUSFCESXMRPRFY-MRXNPFEDSA-N	400.322	5.147	30	20	HKED	
Cc1sc([C@H](C)NC(=O)Cc2c(F)cccc2C#N)nc1-c1ccc(Cl)cc1	552092898	NBOFKIBCGSUXOX-LBPRGKRZSA-N	413.905	5.203	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc34)CC2)c(F)c1	552687392	JNOGHQLNMACNBF-DHIUTWEWSA-N	414.480	5.024	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1	554412003	NVFAPYRAFHYNRM-UHFFFAOYSA-N	406.595	5.093	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccccc1	557588478	NBMYUALQCKYWHP-RXVVDRJESA-N	421.566	5.021	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1OC	558342930	YDWUWYAZYVZHAI-HOCLYGCPSA-N	413.543	5.147	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)CCCCC4=O)n2)cc1	562163083	DGQCXDMJCHHJDD-FQEVSTJZSA-N	411.486	5.081	30	20	HKED	
CC1(C)COc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc21	564677546	GZSCTEWBSKEXLT-UHFFFAOYSA-N	412.489	5.254	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1ccc(OC)cc1	567651883	JRFBWOIWMYAMHX-QFIPXVFZSA-N	411.509	5.029	30	20	HKED	
C[C@@H](NCc1cc(F)c(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F	572193477	AKRHRDKIMXPDDO-SECBINFHSA-N	405.317	5.579	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2nc(C3CCOCC3)cs2)cc1	580228099	LEBXYDJHVSUWSI-UHFFFAOYSA-N	419.506	5.262	30	20	HKED	
Cc1csc(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1C#N	583717222	ISJYASQWHDCEQU-LBPRGKRZSA-N	417.943	5.497	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1	591527640	IQAAMCOZWQOECL-UHFFFAOYSA-N	400.478	5.146	30	20	HKED	
C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	592825146	QNTOUJQIOZUXSA-ZBFHGGJFSA-N	403.979	5.012	30	20	HKED	
COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1	592974108	OBCNACIGBHJZHR-AWEZNQCLSA-N	409.467	5.058	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)c1	603578387	SEZKSTYPVIVRQW-UHFFFAOYSA-N	419.550	5.101	30	20	HKED	
Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604088399	QUJLFEWDPCHLHC-NRFANRHFSA-N	420.900	5.711	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1F	605074946	KEQATMCHUUXONK-GOSISDBHSA-N	416.349	5.844	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc12	605363021	DDUUWCOHRXPSDH-KRWDZBQOSA-N	411.490	5.070	30	20	HKED	
Cc1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OC(F)F)cc1C	608053375	QAILXMXURDRMEN-WDNDVIMCSA-N	419.356	5.904	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2ccccc2n1	609061638	GBDSWAGKYSBVFD-UHFFFAOYSA-N	407.473	5.555	30	20	HKED	
CCCN1Cc2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2C1	609298788	USUACIUTCJMWMJ-UHFFFAOYSA-N	415.468	5.468	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)s1	609322416	HKMZUEZBADURMH-OAHLLOKOSA-N	406.511	5.649	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c(Cl)c1	609372422	VMBUMMODUJDKNA-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)cc2)cc1	609497855	OZKGRQLBITZRIG-UHFFFAOYSA-N	400.463	5.249	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C	610094835	KSTIUENRWHLPFT-INIZCTEOSA-N	420.538	5.532	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1N1CCCCC1	610631218	JWZNKROLOJXKHE-RBBKRZOGSA-N	406.505	5.120	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(-c4ccccn4)c3)cn2)c1	610973000	ZIZOKBSYZKHJLT-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
N#CCCCOc1cccc(N[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)c1	611521542	RFJVVMHJBMSNOY-LEWJYISDSA-N	415.331	5.464	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)c1	611802125	JDPJWUPENACDOX-GOSISDBHSA-N	417.896	5.104	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	613407218	MLOHZQSOBFJVCQ-KRWDZBQOSA-N	420.925	5.301	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)c1cccc(C(F)(F)F)c1	622566523	PYIKPEZSGIFYRT-BTDLBPIBSA-N	407.329	5.600	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnc2c(F)cccc2c1	644650567	XDYUJPZVFNQNCH-RYUDHWBXSA-N	408.317	5.013	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	684631392	QQNPRSWEOZZSQQ-OAHLLOKOSA-N	413.424	5.606	30	20	HKED	
CC(=O)c1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	728175339	PYMVGRPQESFMQV-UHFFFAOYSA-N	419.481	5.288	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(F)cc1	729837273	AZSYQGHLZRXPIU-ZDUSSCGKSA-N	423.694	5.451	30	20	HKED	
CON=Cc1ccc(C(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc1	730243616	NNMYWNLGJMGUOH-CYBMUJFWSA-N	413.930	5.243	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)Cc3ccccc3OC)n2)cc1	730692294	XDOSGZWRAPBHJO-OXQOHEQNSA-N	420.534	5.272	30	20	HKED	
C#CCOc1cccc([C@H](C)OC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1	730700613	VUDBKRNIFWQMIE-INIZCTEOSA-N	409.869	5.244	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccccn3)n2)CCOc2c(Br)cccc21	733748668	GMVIRNZJGJEYRA-BENRWUELSA-N	413.296	5.016	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=S)Nc2c(C(C)C)cccc2C(C)C)c1	733753681	CVMBDSOYTKGOOG-IBGZPJMESA-N	409.599	6.101	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2F)c1	733843768	VIBIVIBHMDRCNJ-FQEVSTJZSA-N	403.457	5.495	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(COc2cccc(F)c2)c1	734078950	GRWLJCRYJRZKFQ-IBGZPJMESA-N	422.843	5.019	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(-c2ccncc2)c1	741474648	XXJHEYMSPNUZMN-BQYQJAHWSA-N	413.458	5.676	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	744037809	DRSYMGRPIVMXCT-SAAWKEMMSA-N	419.353	5.730	30	20	HKED	
CC(C)c1ccc([C@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C(C)C)cc1	747619725	QPHIZZBYWPWBSL-SQJMNOBHSA-N	412.537	5.334	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cnc(-c4ccccn4)s3)s2)cc1	753144609	OFVPREOOZWUUCP-ZHACJKMWSA-N	419.531	5.542	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1	754076886	SMJFKTPAIZZGPR-UHFFFAOYSA-N	409.244	5.027	30	20	HKED	
CC(C)n1ncc2c(C(=O)OCC3CCC(C#N)CC3)cc(-c3ccccc3)nc21	755975619	XBSRLRMFBWBYTJ-UHFFFAOYSA-N	402.498	5.166	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)cn2)c1	761314093	SZXSESPDNHRNQG-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1cccc(OCc2ccccc2)c1	764921511	SNKJUICOWKKKFX-IBGZPJMESA-N	401.462	5.015	30	20	HKED	
N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1	766264792	RGPKJQYACCVLHI-ZIUTZDDDSA-N	422.447	5.800	30	20	HKED	
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)OCC3(C#N)CCC3)c12	768099689	WBDHDLZTMYMZTG-UHFFFAOYSA-N	415.371	5.068	30	20	HKED	
CC(=O)[C@H](C)CCCCC(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F	774273203	QMOWMTYBHNGZFK-MRVPVSSYSA-N	402.306	5.091	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)ccn2)cc1Cl	775316919	PUNRERASQBXLEK-IBGZPJMESA-N	411.292	5.366	30	20	HKED	
N#CCc1ccc(COC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1	776110501	SSYKVAURFMFWOO-UHFFFAOYSA-N	424.456	5.037	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccncc1	776148365	CNUCPCUCYLAZQT-RTBURBONSA-N	418.310	5.051	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(C)cc4)CCOCC3)n2)cc1	779193059	DYFRJFUJKQOEEY-NRFANRHFSA-N	416.546	5.352	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc(C(F)F)c2)cc1	780380952	XEHFFKVYYFJJDM-UHFFFAOYSA-N	400.406	5.089	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1	780510061	DZEYYLSSQWGCFE-QGZVFWFLSA-N	420.513	5.026	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F	780680705	HIILHYAEGNUYIA-SFHVURJKSA-N	403.457	5.351	30	20	HKED	
C#CC[C@H](OC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)c1ccccn1	781801263	QXRCSFCDYXIJMJ-KRWDZBQOSA-N	401.249	5.273	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C1/CCc2cc(C#N)cnc2C1=O	788358608	ZTLIKQQKTYSBEC-MFOYZWKCSA-N	423.303	5.026	30	20	HKED	
CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	788738392	KIDVIPAGQOMPMI-SDVLMSEASA-N	417.553	5.002	30	20	HKED	
COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	789032344	LOGZWMADRMDUOC-DQEYMECFSA-N	413.521	5.063	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1	789451712	MHJCUVZIQABSJE-QGZVFWFLSA-N	407.514	5.378	30	20	HKED	
COc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	793092909	QRGCTRJTHRMUFL-KRWDZBQOSA-N	409.486	5.068	30	20	HKED	
CCOC1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCCC1	793128491	ZUJXDHXTZFSWQF-AWEZNQCLSA-N	409.338	5.642	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CC(C)(C)c3ccccc3C2=O)cs1	794967049	BIWMYGZXNFZHQE-VBKFSLOCSA-N	420.509	5.914	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1cccc(Br)c1	795141245	YCZMCBWMCNIQGF-UHFFFAOYSA-N	407.381	5.002	30	20	HKED	
CC(=C\c1ccccc1C(F)(F)F)/C=C(/C(=O)C(=O)O)c1ccc2ccccc2n1	799888130	AOWQPWRWLQLXAQ-SWZGKVDCSA-N	411.379	5.394	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	802043183	SNEBBUAIFBWZPF-MSOLQXFVSA-N	420.406	5.188	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CC2	815912918	CTMIEVVKAWTKBX-KBPBESRZSA-N	416.424	5.230	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3)cc2)cc1	912654852	FWRDRGQUVOFUAT-UHFFFAOYSA-N	413.546	5.703	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	915180933	SPNQYBZUYKHTIM-WUHDLLBPSA-N	424.500	5.567	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1ccc2ccccc2n1	916849464	VRASEEGPWWIYPQ-KRWDZBQOSA-N	411.324	5.107	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	916932149	QYLZGGFXMFTTAW-NHCYSSNCSA-N	407.219	5.009	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Sc3ccccc3Cl)n2)cc1	916976755	GNKGSACEFYRZRN-ZBFHGGJFSA-N	412.967	6.129	30	20	HKED	
Cc1ccc(SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917042846	HUJDKEKZOXSCPN-AWEZNQCLSA-N	420.481	5.901	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1	917046739	MMLKANVLGKGZBH-KRWDZBQOSA-N	408.935	6.071	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	920004129	VDMVDVWZCBZTJA-UHFFFAOYSA-N	423.831	5.102	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3coc4cc5c(cc34)CCC5)n2)cc1	920141185	MVXBKBUKUNCKJU-OAQYLSRUSA-N	423.497	5.336	30	20	HKED	
N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C4CCCCC4)CCC3)cc2)c1	1790764720	IEUMRDUGHSOALJ-UHFFFAOYSA-N	419.500	5.025	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2C)CC1	1828822838	MKKYTQQMOWCKCV-RTWAWAEBSA-N	414.615	5.058	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C)cc2C)cc1	23603697	VQPBNGKUXXRDNC-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccccc1-c1ccccc1C#N	50383424	RFIJAVGOPJVOAC-UHFFFAOYSA-N	411.505	5.172	30	20	HKED	
CCC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)c(Cl)c1	58295462	UIMNOYMYOREJHV-QGZVFWFLSA-N	424.715	5.115	30	20	HKED	
C=CCn1c(S[C@@H](C)CCc2ccccc2)nnc1[C@@H]1COc2ccccc2O1	59739586	WORBSZASIJQGTH-UWJYYQICSA-N	407.539	5.090	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(COc2ccc(Cl)cc2)n1	60523298	HZIMVKSSXORCPX-HXUWFJFHSA-N	411.914	5.128	30	20	HKED	
COC(=O)COc1ccc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cc1	72046158	XNJVQNMCWKWHCO-ZRDIBKRKSA-N	419.458	5.004	30	20	HKED	
N#CCCSc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl	78668851	SYIGLDQHHCZNLF-UHFFFAOYSA-N	422.937	6.030	30	20	HKED	
N#CCCCOc1cccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1	237828597	ODBMHLZWOWJGHV-UHFFFAOYSA-N	409.493	5.229	30	20	HKED	
C[C@H](Nc1ncc(Cl)c(N[C@@H](C)c2ccc(C#N)cc2)n1)c1ccc(C#N)cc1	301692657	LIZOLVNKKGNFMG-GJZGRUSLSA-N	402.889	5.220	30	20	HKED	
N#Cc1cccc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)n1	301878005	YXHAENIBZZIOAA-UHFFFAOYSA-N	403.898	5.065	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	301946828	VEAXDNSZOQHOLH-GXTWGEPZSA-N	421.488	5.913	30	20	HKED	
COc1ccc(N(CC(=O)Nc2ccccc2SCC#N)Cc2cccs2)cc1	302859095	UIWGAMAJWJYINN-UHFFFAOYSA-N	423.563	5.018	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1	303341062	LNYUEYIYJZZEOX-GOSISDBHSA-N	417.534	5.924	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1	428705749	CBUVIGAXDWQXDM-GOSISDBHSA-N	418.566	5.455	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)nc12	429580748	WAGQCGMRKGWQPF-AWEZNQCLSA-N	424.432	5.086	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1cccc(C#N)c1C	431735652	KJJFVQPAGAWPCP-UHFFFAOYSA-N	416.481	5.165	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](CC(F)(F)F)C1	434155720	VSGJMKQZKOMCIG-GOSISDBHSA-N	417.431	5.252	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2ccc(F)cc2C1	434211203	GWASTQHDTYSRFB-UHFFFAOYSA-N	401.441	5.388	30	20	HKED	
CN(Cc1ccccc1-c1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1	435131700	FACPKQXHNYVNSK-UHFFFAOYSA-N	407.521	5.158	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1nc2ccccc2s1	435480226	FUBRMXKFLHDQAP-INIZCTEOSA-N	403.894	5.865	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	435738900	UOHZCMAYBPMKDF-HRAATJIYSA-N	419.352	5.317	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c(Cl)c1	437577915	IVDGDGVDQSEMQL-NVXWUHKLSA-N	405.832	5.245	30	20	HKED	
COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	438220693	CVUHUAONFIZXLE-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
C[C@H](NC(=O)NCC1CCC(C#N)CC1)c1ccc(OCc2ccc(F)cc2)cc1	441030139	ZJEXRHBYFIQYDD-VIQWUECVSA-N	409.505	5.095	30	20	HKED	
CCS(=O)(=O)c1ccccc1Oc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1	442782688	LWANVMYXNUKEDO-QGZVFWFLSA-N	406.507	5.317	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)cc1	444011050	RGOFHHSLQSVSHR-UHFFFAOYSA-N	412.489	5.210	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1	446908212	KPIRHWSINDJFTR-NRFANRHFSA-N	401.470	5.141	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1Br	447420282	ZOIUJAUWVBPNFE-NSHDSACASA-N	407.308	5.401	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3SCCc4sccc43)c2)cc1	463121936	ZGCFFDGGVNBKHV-QFIPXVFZSA-N	420.559	5.362	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F	464820872	GRWHGLMCOUQVDJ-QAPCUYQASA-N	421.850	5.069	30	20	HKED	
CC(C)(NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1	467715107	TXFXOGGTLVXFAP-UHFFFAOYSA-N	415.334	5.377	30	20	HKED	
N#Cc1cc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)ccc1F	468276174	BFJKXZJPSQPFFO-UHFFFAOYSA-N	418.447	5.039	30	20	HKED	
C=CC[C@@H]1N(C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CCCC1(C)C	470302982	OPFDXBCVLLBHPN-IBGZPJMESA-N	400.544	5.034	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1	471185281	AEKMBGHTLXUYJH-UHFFFAOYSA-N	402.542	5.665	30	20	HKED	
CC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1	472025542	ONLHHLNPCZQFHW-JTQLQIEISA-N	400.319	5.201	30	20	HKED	
CC(C)(C)c1cnc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1	473069883	BSYGTWZHKKNBNS-UHFFFAOYSA-N	408.433	5.097	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@]3(CCCOC3)C2)cc1Cl	473629631	DLWCWBIQXVYRJN-QPPBQGQZSA-N	423.944	5.420	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1)c1ccccc1	476749283	RRWHKCFVNZLIEC-RXVVDRJESA-N	400.444	5.847	30	20	HKED	
CCN(Cc1ccccc1Cl)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479195905	SBQJEAVQIQDEDB-UHFFFAOYSA-N	411.933	5.133	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CC1CCC1)c1ccccc1	481212122	PFIATUUEVNNGPS-GCJKJVERSA-N	407.583	5.540	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1ccccn1	481374611	PLKLDJNRKXQVKB-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl	486954306	JIBBGUWLQULMSQ-UHFFFAOYSA-N	410.905	5.170	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1)c1ccccc1	488695411	HRXFSRHEZYZCDJ-HSZRJFAPSA-N	419.569	5.108	30	20	HKED	
Cc1cc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)ccc1C#N	489019719	ZMOWCDWHTWPKJA-QFIPXVFZSA-N	406.327	5.098	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC3	491976995	JHTLOGLLJFLSMD-IRXDYDNUSA-N	418.566	5.407	30	20	HKED	
CN(c1ccccc1)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cn1	496612949	RRJXSKJPFNFBTD-KRWDZBQOSA-N	417.419	5.084	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(-c3ccccc3)o2)cc1C	498711396	SCOCRCHAXTXRCQ-UHFFFAOYSA-N	424.504	5.271	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@H]1c1cc[nH]n1)c1ccc(C(F)(F)F)cc1	500105594	MRJCDJFLZJUPAO-HKUYNNGSSA-N	406.452	5.373	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCCc1nc2ccccc2s1	500303885	CGWUPSHCKUDHDJ-UHFFFAOYSA-N	405.567	5.566	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	504795112	GCRYLFKBMFAEJA-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1	505017743	YSVCYQTXJUFWOB-UHFFFAOYSA-N	403.501	5.616	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1	505809232	NEKDNANLBIROIA-QGZVFWFLSA-N	421.522	5.194	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)[C@H](C)c1ccc(C#N)cc1	507688139	MONXQKLOBSNYBG-MRXNPFEDSA-N	422.529	5.422	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1	510741373	XWHQPEAWFVBJEL-IBGZPJMESA-N	421.545	5.060	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1	511087594	ZFMUXJASUFSYMB-QGZVFWFLSA-N	400.482	5.310	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2)c1	511840884	CLLYONQBBFZNGU-UHFFFAOYSA-N	401.491	5.197	30	20	HKED	
CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[C@H](C#N)CCC#N	514317422	MHNJRQCSDXZRTN-IBGZPJMESA-N	417.944	5.127	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1	518582403	WGHHYXZLJQECDD-XMMPIXPASA-N	415.468	5.280	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(COc2ccccc2)cc1	519063137	LGQGHEVNVREFAF-UHFFFAOYSA-N	413.521	5.257	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1	520827469	FVHIYIXQQQLNSW-ZDUSSCGKSA-N	423.519	5.043	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(Br)ccc2Cl)cc1	521292928	BDUXWWJMQKLACL-KRWDZBQOSA-N	405.723	5.395	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	524105394	AVGBTMIJZFZZRA-ZWKOTPCHSA-N	411.288	5.795	30	20	HKED	
Cc1sc2nc(S[C@H](C#N)C3CCCCC3)n(Cc3ccccn3)c(=O)c2c1C	524536287	ORDHFADZBURLSC-GOSISDBHSA-N	424.595	5.083	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21	532848348	HDVNZDJLJJDRFX-JTSKRJEESA-N	413.477	5.345	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)cc1Cl	534401951	BQXFEPPDFLKXLM-FXAWDEMLSA-N	423.925	5.556	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2ccccc2NCc2cccnc2)cc1	537015266	RPTCQVWUNMQRNN-UHFFFAOYSA-N	418.500	5.162	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](CCCCc3ccccc3)c3ccccc3)o2)c1	537122103	BHHQAITZYUOKPX-VWLOTQADSA-N	422.532	5.852	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(C#N)o1	537324670	FGWSBPAAZJLCQA-LLVKDONJSA-N	402.317	5.197	30	20	HKED	
CN(C(=O)c1ncc(C#N)cc1Cl)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	538478459	WVROQHCUQMAWSE-WBVHZDCISA-N	407.823	5.034	30	20	HKED	
C[C@@H]1SCCN(Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]1c1ccccc1	538719586	ULLZZMFSASRVAF-CYFREDJKSA-N	402.567	5.142	30	20	HKED	
Cc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cccc1-c1ccccn1	541086846	RSNYZISBWYJTQX-UHFFFAOYSA-N	413.868	5.020	30	20	HKED	
Cc1cc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1	541195180	XYEJGYPNUIGYPL-LBPRGKRZSA-N	406.248	5.414	30	20	HKED	
CN(C(=O)CSCC(F)(F)F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	541253347	STUGIPLJQBKQRF-NSHDSACASA-N	413.305	5.063	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2nc(C(C)(C)C)cs2)c1	541661084	OALITNGUPRDRLH-MSOLQXFVSA-N	412.603	5.043	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	541705027	XDCLMECNTDMWIN-KDOFPFPSSA-N	410.930	5.377	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1cccc(F)c1	542955650	DYJPYKYKHCTFRQ-SPLOXXLWSA-N	423.879	5.151	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543943648	BPEUYNJKAJVFLW-SFHVURJKSA-N	418.566	5.405	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	544273652	USMQVKPYYGBCIM-IBGZPJMESA-N	402.542	5.442	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3ccc(Cn4cccn4)cc3)no2)c2ccccc21	545035280	IERCINNEQXJPGQ-QXMHVHEDSA-N	420.476	5.020	30	20	HKED	
CO[C@@H](c1cccc(Cl)c1)c1noc(-c2ccc(COc3ccccc3C#N)o2)n1	545062408	DLSJCWOJPATQSY-FQEVSTJZSA-N	421.840	5.169	30	20	HKED	
C[C@H](Nc1ccn(CC(F)(F)F)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	545934552	RQIVIMXYORPAOD-QMMMGPOBSA-N	405.264	5.656	30	20	HKED	
N#C[C@H](C(=O)c1scnc1C1CCCC1)c1nc(-c2c(F)cccc2F)cs1	546863490	QYWCFNDBZBHFES-GFCCVEGCSA-N	415.490	5.692	30	20	HKED	
CC(C)(C)C(=O)N1CCC(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)CC1	547254535	PPNSJRJTTIVOFN-UHFFFAOYSA-N	423.582	5.079	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cc(-c2ccccc2)on1	550998752	QVOCAPPLKFZVQC-UHFFFAOYSA-N	411.486	5.294	30	20	HKED	
C[C@@](C#N)(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C1CCCCC1	555904609	OEXJTBZBKXGQSI-NRFANRHFSA-N	415.946	5.246	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	562203988	SANIWVXMXPXGFU-UHFFFAOYSA-N	414.347	5.628	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(C(F)F)ccc3Cl)c2)cc1	564249719	GGQIBPQDGVLYQG-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
N#CCCCn1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc21	573193472	VGZWHUICTYUGGA-MRXNPFEDSA-N	417.419	5.180	30	20	HKED	
C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCCC[C@H]1c1ccccc1	576315812	UBOFBWUEMDYNOT-KMDXXIMOSA-N	414.553	5.441	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F	583841711	HNMVWBVPIRKKSW-DOTOQJQBSA-N	421.488	5.624	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-n2cccc2)c(F)c1	591129287	GCEUATOJLWQTTH-CHWSQXEVSA-N	422.344	5.256	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(CCC)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1	592352075	XTNLDJASHOPOLU-MRXNPFEDSA-N	412.405	5.517	30	20	HKED	
Cc1cc(C)n([C@H](C)CC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)n1	603737883	RMZLYBUFMHTJHZ-LJQANCHMSA-N	404.489	5.004	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccccc2F)cc1Cl	603759040	RXZHXYDQJINUCS-IBGZPJMESA-N	408.860	5.542	30	20	HKED	
CC(C)(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)cc1	603994685	FVCFYMFPMSJHQT-UHFFFAOYSA-N	417.896	5.380	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)cc1	604068536	ZDQSRUCGOUEEHC-UHFFFAOYSA-N	405.473	5.324	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604089833	NOBPDBZEYAXZGK-UHFFFAOYSA-N	416.868	5.540	30	20	HKED	
Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	610010340	MLZFQQUZOBDXRY-QGZVFWFLSA-N	404.539	5.009	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1C(F)(F)F	610240109	XXRDRTIOJBWBPI-BZNIZROVSA-N	416.321	5.089	30	20	HKED	
N#Cc1ccc(C[S@](=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	610482437	NOEFKXCRHZLLMW-SANMLTNESA-N	400.330	5.903	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	611854988	HFFRYPBTNIYPGV-BVSLBCMMSA-N	417.553	5.134	30	20	HKED	
CCc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2nc1CC	613392147	KLDYPVZPKBYULT-KRWDZBQOSA-N	412.518	5.368	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2o1	614439614	AWFODGWATQVEED-SFHVURJKSA-N	421.481	6.108	30	20	HKED	
O=C(CCCc1ccc(F)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	674784039	JBDGWFLRKCCLNZ-ITGUQSILSA-N	417.340	5.313	30	20	HKED	
O=C(CCCc1ccc(F)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	674784041	JBDGWFLRKCCLNZ-VXGBXAGGSA-N	417.340	5.313	30	20	HKED	
Cc1ccc(-c2nc(COC(=O)c3occc3COc3cccc(C#N)c3)cs2)o1	726690306	VUULJFZWWSGONE-UHFFFAOYSA-N	420.446	5.112	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1c(C)noc1C	727780894	WCSZYAWYNIBLMN-HJWRWDBZSA-N	403.301	5.382	30	20	HKED	
CC(C)[C@@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	728765095	ZNOZHNVRHDVRFC-MSOLQXFVSA-N	419.550	5.282	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	729892446	ZLFGXLAORIZRGQ-XHURWKGJSA-N	402.519	5.877	30	20	HKED	
O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1cccc(C(F)(F)F)c1	730951209	LSHVCGNIFZRBPA-TWGQIWQCSA-N	416.351	5.472	30	20	HKED	
CCN(CC)c1ccc(C=Nc2cccc(CN(C)Cc3cscn3)c2)c(O)c1	731937077	GTTPGBFVIHVKKC-UHFFFAOYSA-N	408.571	5.078	30	20	HKED	
Cc1ccc(-c2nc(COC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)co2)cc1	732398724	BXXWWVWGRDCJGP-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1	733789300	JUUXVZHGECLORQ-MRXNPFEDSA-N	417.490	5.167	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1	733852375	XAVGSNMEXMCVHD-HSZRJFAPSA-N	423.532	5.204	30	20	HKED	
C=CC[C@@H](NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1)c1ccncc1	734509676	ORKDPYJNRCWACR-JOCHJYFZSA-N	408.929	5.730	30	20	HKED	
N#CCOc1cccc(/C=C(/Cl)c2ncc(-c3ccccc3Br)o2)c1	741843891	RIFIZWWLFLCJJX-GZTJUZNOSA-N	415.674	5.743	30	20	HKED	
CON=Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1	742179758	KOHQHCBQIIRWBC-OAQYLSRUSA-N	417.509	5.423	30	20	HKED	
CC(C)Cc1nc(C#N)c(NN=Cc2cccc(NC(=O)c3ccccc3Cl)c2)o1	745613747	NGENWSIOHSBPOL-UHFFFAOYSA-N	421.888	5.096	30	20	HKED	
C=CCOc1c(Br)cc(CNc2ccc(OCC)c(OC)c2)cc1OC	746054027	WFQMTJFFYRJVLW-UHFFFAOYSA-N	422.319	5.042	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnc2ccccc12	749025283	CCXHZFNFJQDMSJ-HXUWFJFHSA-N	421.456	5.297	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCCc3ccc4c(c3)-c3ccccc3C4)nc12	750728204	CAOAJFAWDDTPFB-JOCHJYFZSA-N	406.489	5.037	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)OC[C@@H](C#N)Cc1ccccc1	750783920	URENQFPPBYKXRS-LJQANCHMSA-N	406.507	5.123	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cs1	750916718	OOZZLWZJIUKIDM-JYRVWZFOSA-N	408.495	5.043	30	20	HKED	
Cc1ccc(-c2nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)co2)cc1	755592993	LNEQPUJMBTVGIS-UHFFFAOYSA-N	409.902	5.069	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N	758871557	IXTSUZIEKRFSAQ-KRWDZBQOSA-N	402.498	5.190	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)C1	766529964	KILJDDIUYDZCOQ-GDBMZVCRSA-N	407.898	5.214	30	20	HKED	
O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ncccc1C(F)(F)F	770740607	VMVRMONLQMOJQB-GFCCVEGCSA-N	417.227	5.580	30	20	HKED	
COc1cccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2cc(F)ccc2OC)c1	776163161	PTMWYNLDBHDUNZ-NSYGIPOTSA-N	420.484	5.185	30	20	HKED	
CSc1cccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccc(F)c(F)c2)c1	776164308	YUNPLDUMVSLSEM-VOIUYBSRSA-N	424.516	6.029	30	20	HKED	
CCCCCOc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777114692	LQIRZQYTFIBIDV-IBGZPJMESA-N	407.558	5.261	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)Nc2ccccc2O[C@@H](C)C#N)cs1	780177339	OXZSDJSKAQSQLL-AWEZNQCLSA-N	409.536	5.287	30	20	HKED	
CC[C@@H]1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	780312703	LZFSCBGKUXDPCA-UXIGCNINSA-N	409.338	5.498	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C	789450680	FPCFXYILPBQQKJ-ZWKOTPCHSA-N	415.578	5.306	30	20	HKED	
C=CCC1(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)CCC1	791557773	HTXPUSCNRWNEEC-UHFFFAOYSA-N	404.919	5.271	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[C@H](C#N)c1nccc2ccccc12	792106210	PTBMULSMFBSTOC-NJDAHSKKSA-N	421.541	5.275	30	20	HKED	
CCOc1c(Br)cc(/C=C\C(=O)c2cnn(C3CCCC3)c2)cc1OC	799898335	TVWVNRRGLCCCFK-HJWRWDBZSA-N	419.319	5.064	30	20	HKED	
Cn1cc(-c2ccc(CNc3ccc(OCc4cccc(C#N)c4)cc3)s2)cn1	802647505	AFCOEEPWTFYSDN-UHFFFAOYSA-N	400.507	5.211	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(SC(C)(C)C)cc1C	806250212	OORIWBLYIAIVLF-UHFFFAOYSA-N	414.619	6.273	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1	809090188	FPPPGNFGRADQDA-OKILXGFUSA-N	408.445	5.245	30	20	HKED	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1-c1ccccc1C#N	812211483	XQFLUXSJRDPBGN-UHFFFAOYSA-N	405.841	5.059	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813212708	GCVLCQNVBHIAAA-RXVVDRJESA-N	412.436	5.810	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(N(C)C)cc4)CC3)n2)cc1	815911183	UJFZVJVUZMTNSW-FQEVSTJZSA-N	401.535	5.093	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1cccc([N+](=O)[O-])c1	916136610	XIFUEUWAGOUWRN-FPLPWBNLSA-N	415.268	5.377	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)c1nc2ccccc2[nH]1	916844380	CHLHKSJDLGBXNA-SFHVURJKSA-N	407.901	5.519	30	20	HKED	
C[C@H](Oc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997143	RSHRHZFYJFMBLW-LRDDRELGSA-N	417.317	5.761	30	20	HKED	
CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920144806	XYYABNQGDRONDP-FQEVSTJZSA-N	406.507	5.026	30	20	HKED	
C=CCN(C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C)C(C)C	920873306	UOLPKAXTCUWZKZ-UHFFFAOYSA-N	419.447	5.694	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@]3(F)Cl)CCC2)cc1	1789625714	QVPQJSAGLHCBBH-VGSWGCGISA-N	406.929	5.037	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1	1792126850	NCEFFBXNBTWSHO-RBUKOAKNSA-N	415.537	5.274	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4ccoc4c3)CC2)C1	1804866747	MMCMNPIVHVDWPL-UHFFFAOYSA-N	422.569	5.270	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NCC(=O)Nc2ccc(CC#N)cc2)cc1	15365432	HWVPDQJGDHTCPL-UHFFFAOYSA-N	421.884	5.258	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1OC	21120565	WEWKKBBYJPFKHG-UHFFFAOYSA-N	421.566	5.412	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)cc1	26143553	MZRQVEQPBZQOOL-NSHDSACASA-N	411.474	5.122	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Cl	32057325	PAERWYQOPWZKGN-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)n1	32331664	BCYPFKKOACXYAF-MRXNPFEDSA-N	409.342	5.027	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)s2)o1	46893452	CSVZFVCYBWPASC-UHFFFAOYSA-N	421.400	5.085	30	20	HKED	
COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cc(C#N)ccc2C)cc1	63961304	ZYVXLYTVVBFFIX-UHFFFAOYSA-N	422.488	5.039	30	20	HKED	
Cc1ccc(COc2ccc(/C=C\C(=O)c3cccc(N4CCOC4=O)c3)cc2)cc1	214908594	DSTGLQZNVGXKAD-KAMYIIQDSA-N	413.473	5.427	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3Cc3cccc(F)c3)c2)c1	303646759	SKDROCXDHFROGQ-XMMPIXPASA-N	414.480	5.124	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(CC(F)(F)F)C2CCC2)c1	427928898	MVYNALDUPBWYHE-UHFFFAOYSA-N	408.807	5.561	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)c(F)cc1F	428715938	ADOVPJKGAHPWKK-SNVBAGLBSA-N	411.271	5.374	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1	429218154	XMEHGJPMKZWGDK-UHFFFAOYSA-N	409.301	5.903	30	20	HKED	
CC1(c2cccc(Cl)c2)CCN(C(=O)Nc2ncccc2OCCCC#N)CC1	432432058	XSJBEECQYQZKDC-UHFFFAOYSA-N	412.921	5.003	30	20	HKED	
Cc1c(Br)ccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1F	433738067	PCOLLTXPOWVSEA-UHFFFAOYSA-N	406.255	5.223	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(OCc2cccs2)c1	436338458	CPZFGDSFQACBRQ-PKTZIBPZSA-N	402.519	5.239	30	20	HKED	
CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C12CCCC2	437123684	FNSWWKXQBGPQMT-DHIUTWEWSA-N	420.578	5.318	30	20	HKED	
CCCN(CCC)C(=O)c1ccc(NCc2cccn2Cc2ccccc2C#N)cc1	437132180	ONGUVWVFFIBWHG-UHFFFAOYSA-N	414.553	5.282	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2sccc2Br)cc1F	437483127	LDESMHJJHPDBFI-UHFFFAOYSA-N	417.259	5.566	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](CCCc3ccccc3)c3ccccc3)o2)cc1	438769832	IDHMLQIESRPWFL-DEOSSOPVSA-N	408.505	5.462	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1	439142292	OHEMERRQNPEATP-UHFFFAOYSA-N	413.458	5.067	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)CCCC1(C)C	444900747	TXDWAVWRANSERT-LJQANCHMSA-N	405.970	5.419	30	20	HKED	
Cc1oc(-c2ccccc2)c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1C	446020989	NWMBOWVCODLVMF-SFHVURJKSA-N	409.283	5.321	30	20	HKED	
CCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccc(Cl)c(Cl)c1	447142008	HEFWFDRMDDAXBE-MRXNPFEDSA-N	424.715	5.115	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	447609130	JEIDPKXLWGRBGR-IBGZPJMESA-N	404.491	5.210	30	20	HKED	
Cn1cc(CNc2cc(C(F)(F)F)ccc2SCC(F)F)c(C(F)F)n1	462789192	DLMZCAOJRWSXMU-UHFFFAOYSA-N	401.351	5.346	30	20	HKED	
N#Cc1ccc(NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)cc1Cl	463223548	CDWINFSEHNIVOG-UHFFFAOYSA-N	420.831	5.065	30	20	HKED	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	464365756	LZAGMWUYAFDCIX-MRXNPFEDSA-N	417.896	5.037	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)cc1	464421496	MGGMUPHWXNEXED-FQEVSTJZSA-N	424.378	5.585	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2ccccc2CCC(F)(F)F)cc(OC)c1OC	465244495	JVJAWIRJDKTNRW-UHFFFAOYSA-N	422.447	5.249	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccncc2)cc1	469239780	PSLIPLXKAPIEDU-IBGZPJMESA-N	410.521	5.505	30	20	HKED	
N#CCCn1ccc(NC(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1	470504504	WWHZYWPNFQFNNT-UHFFFAOYSA-N	415.375	5.252	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(OC(F)(F)F)c1	470603543	XTXCMKIOPKJBIO-CQSZACIVSA-N	423.460	5.643	30	20	HKED	
CC(C)(C)OCc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)no1	471367037	QWIASIGLYSXLOA-ZDUSSCGKSA-N	415.559	5.326	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1	474545094	DJYVXCBBGYBHTA-OAQYLSRUSA-N	403.461	5.041	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	474997347	DUAJJZGELPSXDE-GOSISDBHSA-N	407.493	5.546	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1	475255158	SJJZNRXNTUGEJB-SFHVURJKSA-N	403.526	5.063	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCCc1ccc(Br)s1	476080738	PWUNGSGOUAKXLA-UHFFFAOYSA-N	406.389	6.324	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1	476768579	ATHIUAQXSFTING-UHFFFAOYSA-N	407.558	6.019	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c(C(F)(F)F)o1	477636480	XBTXAAPAOLZMCU-UHFFFAOYSA-N	403.225	5.479	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F	480500172	PFIQMTJEQNDJAJ-UHFFFAOYSA-N	417.884	5.706	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@]2(C1)OCc1ccccc12	480561654	HDNBIDXCYAKESH-UZUQRXQVSA-N	407.539	5.134	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1	481865351	IYLCJXOIOAJDNU-NRFANRHFSA-N	420.578	5.462	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2ccc(Br)cc2)s1	482675551	RMKXJTHQYYLMRG-UHFFFAOYSA-N	417.250	5.096	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1Cl	483207857	VOJODEWWIRODFB-QGZVFWFLSA-N	424.847	5.437	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)sc21	483441407	RVWIBOVISPRJHH-MRXNPFEDSA-N	411.490	5.070	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	483734126	WBAIMHSPEYCRMT-CYBMUJFWSA-N	403.891	5.021	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccncc2)c1	485360964	SPPSVJTUULJLIL-UHFFFAOYSA-N	400.482	5.436	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)C(F)(F)F	486503202	POQLPXONONRCGG-GOEBONIOSA-N	407.461	5.548	30	20	HKED	
COc1cccc([C@@H](NCc2ccccc2C(C)(C)C#N)c2cc(F)ccc2OC)c1	486564132	JWLCOCUIESPKIP-RUZDIDTESA-N	418.512	5.523	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(Oc2cccnc2)cc1	488008612	RRQFOUGFNUPBKO-JKSUJKDBSA-N	420.900	5.077	30	20	HKED	
C=C(C)COc1cc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)ccc1OC	488941417	XWUMVAZOTASTPH-HYARGMPZSA-N	402.450	5.542	30	20	HKED	
CC1=C[C@@H](C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1	496335124	ZRIQCKWWYPQTET-GFCCVEGCSA-N	420.460	5.054	30	20	HKED	
CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C(C)C)c1	498340504	LQYHACXJLYRYLJ-UHFFFAOYSA-N	412.555	5.263	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c1	498784506	SRDLEFIGDMIYMS-UHFFFAOYSA-N	415.280	5.114	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)N[C@@H](C#N)c3ccc(Br)cc3)ccc2c1	499417713	IHRZYTCHKSILAD-QKKBWIMNSA-N	423.310	5.095	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	501104815	JHTYJZPUNJBYQU-UHFFFAOYSA-N	424.551	5.289	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3ccc(Cl)s3)c2)cc1	501471415	KPCIXNPIAICGIT-UHFFFAOYSA-N	410.926	5.618	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCc4ccccc4C3)c2)cc1	503031981	MXEHPZWUXOCUKF-DEOSSOPVSA-N	411.505	5.011	30	20	HKED	
CCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	503570947	FIJQJLDKSOEDLC-OAHLLOKOSA-N	422.897	5.024	30	20	HKED	
COc1ccc(N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(OC)c1	505133963	LLSYDCCNKLUJRG-UHFFFAOYSA-N	422.868	5.298	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)nc(C)n1	505300101	OXOLNPPDIWXZLV-MRXNPFEDSA-N	418.909	5.514	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Cn1ccc2ccccc21	505320003	ISYXAXWUNWLGPG-SFHVURJKSA-N	410.477	5.284	30	20	HKED	
COc1cc(OC)c2cc(CCCNC3CCC(C#N)(c4ccccc4)CC3)[nH]c2c1	507653073	KDYHODBRTFSKNI-UHFFFAOYSA-N	417.553	5.111	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(C#N)ccc1Cl	507668064	GIMSYYRSYUUZFO-UHFFFAOYSA-N	406.917	5.087	30	20	HKED	
CC(C)N(Cc1ccco1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	509944284	OPMLTQGUIYCGTC-UHFFFAOYSA-N	407.445	5.312	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc(C#N)ccc3Cl)s2)cc1	512916752	LVHOXVUMUGVTRP-GFCCVEGCSA-N	411.914	5.143	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2C#N)cc1F	513159868	MZFJCERWMQAWKY-MRXNPFEDSA-N	419.456	5.246	30	20	HKED	
C=C(C)Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	516983308	ZKUOVEVMKCFWIJ-GOSISDBHSA-N	407.345	5.006	30	20	HKED	
CO[C@@H](C)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	517906095	IVHMPXGNFPVXRO-SFHVURJKSA-N	417.484	5.639	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	517964016	KGHOCVSKBMYKLY-UHFFFAOYSA-N	415.493	5.052	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	518239789	LZHNCNHVFHUVOU-KRWDZBQOSA-N	415.518	5.585	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)cc2)c1	518256195	PPWYELUEJQIBED-RPWUZVMVSA-N	413.477	5.392	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1ccccc1SCc1c(C)noc1C	518412826	TXDNOQDQXRWBOH-UHFFFAOYSA-N	408.523	5.079	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)o1	520534467	GGYQALKXCHQNCG-HSZRJFAPSA-N	404.441	5.141	30	20	HKED	
N#Cc1ccc2ncc(CN[C@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)n2c1	520623267	IXROYDUXTABJKH-JOCHJYFZSA-N	407.304	5.392	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(F)cc21	521748533	VUGPWHFUWFFXJD-CZUORRHYSA-N	401.532	5.436	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(OC(F)F)cc3)cc2)cc1	521952103	CTDCYWFKXZRGKC-UHFFFAOYSA-N	408.404	5.076	30	20	HKED	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	523099304	PPCUOJQTJIRWTH-QUCCMNQESA-N	400.478	5.057	30	20	HKED	
N#C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(OCc2ccccc2)cc1	524333695	NNHRUWCYZNOXRU-AREMUKBSSA-N	423.516	5.451	30	20	HKED	
Cc1nc(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)sc1SCC#N	525655907	ZGSRMCFMMFUASW-IBGZPJMESA-N	407.564	5.422	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	527445317	CTLKHNFUIUMZMU-OAQYLSRUSA-N	415.537	5.510	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)Sc2ccccc21	533334961	XYAYIJQTFINQFJ-IAGOWNOFSA-N	411.596	5.410	30	20	HKED	
C=C[C@@H](CC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccccc1	534625627	OMYUGLHAMSWAFA-FPOVZHCZSA-N	416.521	5.206	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1ccccc1	534681013	FWODPXFGGDHHSZ-SFHVURJKSA-N	421.518	5.181	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	537912105	TWRAYZJGPVCREW-UHFFFAOYSA-N	417.382	5.011	30	20	HKED	
CCN(C(=O)c1csc(-c2ccccc2Cl)n1)c1ccc(C#N)c(Cl)c1	539174311	MSUGHLGMUZDNGU-UHFFFAOYSA-N	402.306	5.655	30	20	HKED	
Cc1nc(SCCCC2(C#N)CCOCC2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	540804615	WQVGXEDXTSYAEL-ANULTFPQSA-N	401.620	5.690	30	20	HKED	
C[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542000575	QLNOALPTJFXCNL-MRXNPFEDSA-N	413.502	5.362	30	20	HKED	
Cc1nn2c(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c(C(C)C)nc2s1	543114355	MWCAIZCOTGTNKU-MRXNPFEDSA-N	415.566	5.612	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C(F)(F)F)c1	543303492	LLVCUNQAEZKMNT-UHFFFAOYSA-N	417.431	5.561	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1	544555207	ZRNUYBODGXBXLS-INIZCTEOSA-N	401.513	5.132	30	20	HKED	
CC1CCC(OC2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc34)CC2)CC1	553389995	NWMPGHCUUYOECX-UHFFFAOYSA-N	403.448	5.088	30	20	HKED	
CSC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1	561907566	JKPIVVYOAIPMGC-OAHLLOKOSA-N	400.931	5.219	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3csc(-c4ccc(F)cc4)n3)cc2)ccn1	562080470	CPGGXJVUXDRUKZ-UHFFFAOYSA-N	402.454	5.620	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1CC#N	569884959	CUCRVQZMWOCIME-AWEZNQCLSA-N	411.914	5.321	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ccc(C(=O)Nc4ccccc4)cc3)cc2)ccn1	581223115	HZKBXRXEMMJLFF-UHFFFAOYSA-N	420.472	5.610	30	20	HKED	
COc1ccc(NC(=O)CCCCCC#N)cc1NC(=O)c1ccc(Cl)cc1F	588300733	AYAXRPIOOSLWCM-UHFFFAOYSA-N	417.868	5.153	30	20	HKED	
N#CCCCCCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F	588887629	MGMFUNRHXMMYHA-HXUWFJFHSA-N	403.295	5.268	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1Cl	589597866	VCEUICJXRDAGMA-UHFFFAOYSA-N	423.866	5.761	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1	589738943	GGHJQPOMYZRPLE-UHFFFAOYSA-N	414.933	5.165	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1	592975289	ADTYYSJYPMPQNE-FQEVSTJZSA-N	407.404	5.528	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCSc4ccc(F)cc43)s2)cc1	603650415	YLJZPFBMYZJAKX-SFHVURJKSA-N	424.526	5.103	30	20	HKED	
COc1cc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1C	603766279	QBPOKQOWNXJJRE-OAQYLSRUSA-N	404.897	5.494	30	20	HKED	
C[C@@H](c1ccccc1)n1c(SCc2ccc(C#N)cc2F)nnc1-c1ccccc1	603917478	SVNMRLIXHJKOFF-KRWDZBQOSA-N	414.509	5.857	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1[nH]c(-c2ccccc2)nc1C	604102968	NVHDGZJCZJBDRY-UHFFFAOYSA-N	409.449	5.005	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCOCc1ccccc1	604115975	OLYMBZVHWRSHNL-UHFFFAOYSA-N	402.469	5.146	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccncc2)nc2cc(-c3ccccc3)sc2c1=O	605076385	CDAQLFRQYAJZQE-OAHLLOKOSA-N	405.548	5.559	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	607064327	NTGLAEVXHATSRB-SNVBAGLBSA-N	401.372	5.280	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cn2)c1	608937451	YGQOITAXGSTFBA-UHFFFAOYSA-N	423.394	5.435	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3c3cccc(Cl)c3)o2)cc1	609070547	AWWDPZIHQJJQQX-OAQYLSRUSA-N	406.869	5.361	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N	609376685	GWTWELRVJNMGKU-CYBMUJFWSA-N	411.527	5.762	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccccc1	609505314	WEIDSJYHSXXXET-SANMLTNESA-N	414.505	5.022	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCc2ccccc21	609556408	GKGPOIDXZDDNEQ-QFIPXVFZSA-N	411.505	5.297	30	20	HKED	
N#C[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C1CCCCC1	609648997	SGDIFSFOLKCGAS-GOSISDBHSA-N	401.967	5.085	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(Cl)c1Cl	609795607	CSABUKBARJDIJN-ZDUSSCGKSA-N	412.276	5.543	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)Cc3cc[nH]n3)cc2)c1	609845223	DXWVIUDTDDBBEQ-UHFFFAOYSA-N	423.476	5.308	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609989681	VFTVKSOAMTUHCH-QGZVFWFLSA-N	412.518	5.948	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1	610095262	MHWNAZWUYATMAS-HZPDHXFCSA-N	406.511	5.476	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3nc(-c4ccccc4)n4c3CCCCC4)CC2)cc1	611247315	FTFOSWFZIIBXHI-UHFFFAOYSA-N	422.532	5.078	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Br	613402542	CRIRDSGMFWGICR-LLVKDONJSA-N	421.703	5.211	30	20	HKED	
CCN(C(=O)Cc1ccc(NCc2ccc(C(C)(C)C#N)cc2)cc1)c1ccccc1	614056091	GVVLQXJIUGRZRL-UHFFFAOYSA-N	411.549	5.695	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccc(C)cc3)n2)nnc1-c1ccncc1	645072194	UDPNKAPDUOZINK-UHFFFAOYSA-N	420.567	5.327	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OCc1cccnc1	726463607	WMUGCICDFGOGOE-UHFFFAOYSA-N	424.913	5.003	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2nc(-c3ccco3)oc2C)c1	728181854	GOMGDWHUPWGRGO-UHFFFAOYSA-N	402.475	5.062	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3ccc4c(c3)OCO4)n2)ccc1SC	728440114	JCROUHZNUZOAPI-WAYWQWQTSA-N	411.504	5.165	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1	728737732	IEUIBBHIZROCNM-UIOOFZCWSA-N	418.500	5.648	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1	728813588	NRPAANBJKVDXKM-MRXNPFEDSA-N	400.240	5.435	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)c1ccc2ccccc2n1	731768399	IEDFOYDQLSTACZ-ZISLFAKRSA-N	407.473	5.461	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)ccc1OC	733656064	GVYYYVHJOYCZMT-FCHUYYIVSA-N	421.541	5.040	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1	736465980	VEZLJGXTMDZVQN-JOCHJYFZSA-N	411.486	5.843	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	739153909	ADBWYUNOAICWEU-IAQYHMDHSA-N	422.859	6.339	30	20	HKED	
COc1ccc(/C=C2\N=C(SCCC(C)(C)C#N)N(Cc3ccccc3)C2=O)cc1	742451488	QLFWWTWIKQLFTO-QNGOZBTKSA-N	419.550	5.108	30	20	HKED	
COc1cccc(C=NOCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1OC	744179807	GXNPVIRHKDEUOS-UHFFFAOYSA-N	422.428	5.397	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1cccc(C)c1C	745724541	SWURTCANVGGRGX-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@H](CC)Cc2ccc(C)cc2)c1	745821407	QKTWMCDPNRWQDB-DHIUTWEWSA-N	407.558	5.229	30	20	HKED	
Clc1ccc(-c2cnc(CON=Cc3cccc(OCc4ccncc4)c3)o2)cc1	746330718	CWQGSIMFFVMDSO-UHFFFAOYSA-N	419.868	5.520	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1	747109357	PTMOVPIYMSOCHA-SUMWQHHRSA-N	411.288	5.598	30	20	HKED	
CC(=O)Nc1cc(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F	747788469	PGXINKLMCYFLAR-HNNXBMFYSA-N	423.284	5.263	30	20	HKED	
COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccsc3)cc2OC)cc1	749103746	ANHQHKMNAQOMRM-WEVVVXLNSA-N	408.475	5.018	30	20	HKED	
N#CCCn1cc(-c2csc(NN=Cc3ccccc3Cl)n2)c2ccccc21	749260405	CMOPERAFUHVZEF-UHFFFAOYSA-N	405.914	5.778	30	20	HKED	
CC(C)Cn1c(-c2ccco2)nn(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1=S	751931029	HTXVHPVZFPNTAC-WOJBJXKFSA-N	421.570	5.059	30	20	HKED	
CC(C)(Cc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	753803629	WZDXDMLVILVVNY-HNNXBMFYSA-N	401.844	5.530	30	20	HKED	
C=CC[C@H](NC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccncc1	754922799	YVTABXLUGVTKGE-YWZLYKJASA-N	403.448	5.653	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1	757654723	JABJWJVLWQLMCW-NRFANRHFSA-N	405.885	5.013	30	20	HKED	
C#CC[C@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	757887240	TZMXTGDJAWKAIV-QABMSTFYSA-N	416.546	5.022	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc2ccsc12	767961722	ZSHOAKIVYDRPEJ-LJQANCHMSA-N	412.470	5.655	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	772548231	ZCYXYODAZJPEOB-DQEYMECFSA-N	423.516	5.104	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1	773288213	ZQOKKIJKOUIHKJ-JOCHJYFZSA-N	401.441	5.060	30	20	HKED	
N#Cc1cccc(COC(=O)c2csc(-c3cc(Br)cs3)n2)c1F	774933637	SDNLCFYPKGKFOJ-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
C[C@H](N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(OCC#N)cc1	776154105	PCERGSBSECEUFW-BVZFJXPGSA-N	402.563	5.969	30	20	HKED	
N#CCc1ccccc1CC(=O)N(Cc1cccs1)C12CC3CC(CC(C3)C1)C2	776908385	GDBHROCXVFEMMD-UHFFFAOYSA-N	404.579	5.354	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccccc1	777289871	BLIUWNVNNHUTOX-AEFFLSMTSA-N	421.522	5.129	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)C(=O)c3ccc(Cl)cc3)n2)cc1	777304991	UFZTZUYSJSMDFZ-DNVCBOLYSA-N	422.937	5.857	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc12	780160823	GOANCYPBTGXUIT-CYBMUJFWSA-N	420.469	5.078	30	20	HKED	
N#CCCn1cc(C=NOCc2ccc(F)cc2Br)c2ccccc21	780286264	ATODOLGUQLBALO-UHFFFAOYSA-N	400.251	5.007	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1	780485052	HYASMOSTCXSOHK-CDHRGQCPSA-N	407.517	6.052	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1	780674918	JIKBYWXWSWULKN-KRWDZBQOSA-N	421.497	5.073	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1O	788758928	SHSMZYCOXHNWSK-AWEZNQCLSA-N	417.431	5.167	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)[C@@H](C#N)c1cnc2ccccc2n1)c1ccccc1	792115155	SPNHSXREFXPOMZ-RXFWQSSRSA-N	407.473	5.189	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	796790390	RPLOSWYNGNJFNH-HSZRJFAPSA-N	405.457	5.171	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1ccncc1	797460021	MDFGDYOQMVCLTK-MOPGFXCFSA-N	418.310	5.147	30	20	HKED	
CC(C)(C)Sc1ccc(-c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)nc1	809446905	CEBJHJJBCFBDTF-OAHLLOKOSA-N	423.517	5.027	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)c2ccccc12)c1cc(C(F)(F)F)ccn1	813214042	OJVFOANIJHLEAU-HNNXBMFYSA-N	404.775	5.162	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1csc(-c2ccccc2F)n1	815899497	SRFZBWUIHCLUER-CQSZACIVSA-N	421.522	5.713	30	20	HKED	
C[C@H](OC(=O)c1cc2c(Cl)cccc2s1)C(=O)N(CCC#N)c1ccccc1	825218329	HGLUVCBPBIGJGW-AWEZNQCLSA-N	412.898	5.047	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)ON=Cc2ccc(Br)cc2)c(Cl)c1	852144403	OVEFCKGZIUWWQK-ZDUSSCGKSA-N	409.711	5.097	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1F	915085937	QQJWMCRDKDGYTC-NRFANRHFSA-N	410.452	5.228	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2occc2CSc2ccccc2)cc1	915086464	JXGOYYPYWQBTCO-DEOSSOPVSA-N	424.525	6.480	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-c2ccccc2)cc1C	915640372	WAXIIJMSHWPUQW-UHFFFAOYSA-N	400.478	5.340	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1ccsc1	916159228	OQHCSIJICNUYIK-NRFANRHFSA-N	406.482	5.154	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	916905158	AYYWVDOMNLHELM-GCJKJVERSA-N	420.553	5.358	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(Cl)cccc3s2)cc1Cl	916941378	UGOFBGZVKVBJGM-GFCCVEGCSA-N	419.289	5.178	30	20	HKED	
CCOc1cccc2c1OCC(C(=O)[C@H](C#N)c1nc(-c3ccc(C)cc3)cs1)=C2	916974626	OHCQRMULMFVNHB-IBGZPJMESA-N	416.502	5.170	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CC3(Cl)Cl)cc2Cl)cc1	918052719	KLWLNHZEMLTVDS-LBPRGKRZSA-N	410.688	5.319	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1	920143548	RGWQUXBZOBTFFZ-QFIPXVFZSA-N	424.525	5.827	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCC)C1	1301025557	ZUOOXYJHLHAPEN-IBGZPJMESA-N	402.970	5.000	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ccoc34)CC2)C1	1805458295	GMHAYDSCFVHFKC-UHFFFAOYSA-N	420.553	5.046	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)C1	1823699785	BAOQPWNZMPXEHF-VWLOTQADSA-N	416.565	5.039	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(C)cc2)cc1	10173159	UNNZZXUBOCVONR-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
COc1ccc([C@@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	21473019	KNNNMOLBUNLMSX-NRFANRHFSA-N	423.582	5.063	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cnn1-c1cccc(Cl)c1	25440489	DWXAAUWGLADKKJ-UHFFFAOYSA-N	406.917	5.703	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3[nH]c4ccccc4c3Cl)c2)cc1	58425484	JKJHDGPQOBQELM-UHFFFAOYSA-N	415.880	5.719	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc1	110600094	BWPQGTSZZRTLQQ-UHFFFAOYSA-N	402.422	5.229	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3)c2)cc1OC	147783215	MYCUAXAZDXBENR-FMIVXFBMSA-N	404.462	5.188	30	20	HKED	
N#C[C@@H](C(=O)c1cc2sc3ccccc3c2s1)c1nc2ccccc2n1C(F)F	195557419	NLZLKURJVWKNEK-LBPRGKRZSA-N	423.469	6.351	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cccc(OCc3ccccc3F)c2)c1	237023501	AXANBESSNGPFAI-QFIPXVFZSA-N	404.485	5.375	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C	303262680	FQGRWTRCNGMBSI-INIZCTEOSA-N	422.579	5.070	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)nnn1-c1ccc(-c2ccccc2)cc1	303388536	OGLXXQSOHNWVQJ-UHFFFAOYSA-N	421.504	5.296	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)c2)c1	303595578	IXCZMIKLANZXKJ-JOCHJYFZSA-N	418.493	5.243	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1	303704515	OVTGNAHRZUSOOJ-UYAOXDASSA-N	408.571	5.071	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	409765385	SGAKZKXUFFWUHN-OAQYLSRUSA-N	410.832	5.118	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(F)cc1OC(F)F)c1nc(-c2c(F)cccc2F)cs1	429724979	NZZTZVNAAZYJJH-NSHDSACASA-N	424.350	5.319	30	20	HKED	
N#CCC1(CNC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1	431110514	ZGSRBKXMDNPSLV-UHFFFAOYSA-N	410.926	5.802	30	20	HKED	
CCc1noc(-c2ccc(C)c(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)n1	431147688	VAHVRYGTKWVVAG-UHFFFAOYSA-N	417.513	5.169	30	20	HKED	
N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1	433371436	DLQGUNINWRUKHL-HXUWFJFHSA-N	403.913	5.663	30	20	HKED	
N#C[C@H](C(=O)c1occc1Br)c1nc(-c2ccc(Cl)cc2)cs1	435460231	QOIFJFOEXKFTRM-LLVKDONJSA-N	407.676	5.309	30	20	HKED	
Cc1cc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c(C(F)(F)F)o1	436449609	MPHLQUGKNGNNFQ-NSHDSACASA-N	403.681	5.433	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO	437757138	IHEQTZMRWKRUTQ-HKUYNNGSSA-N	411.571	5.005	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cc1)c1ccccc1	438854831	XIXOPHQSRNQMFF-UXHICEINSA-N	412.331	5.341	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2)no1	442614591	HNAPMYPFPRKDKF-INIZCTEOSA-N	416.506	5.425	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](c2nccn2C)C1)c1ccc(C(F)(F)F)cc1	444148191	XZOAFIDBNLXWHE-HKUYNNGSSA-N	420.479	5.035	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2c(F)cccc2F)c1)c1cc(C(F)(F)F)ccn1	464419393	DQJGCRWEPGVXGG-HNNXBMFYSA-N	402.322	5.536	30	20	HKED	
N#Cc1ccsc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	464564717	WSLMERPGGMTMHU-UHFFFAOYSA-N	415.883	5.585	30	20	HKED	
C=C[C@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1	465151115	YZCVYYSCYOJWBR-LBPRGKRZSA-N	409.338	5.029	30	20	HKED	
CC#CCCCC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	466873778	KZVZYJWIFHCCBZ-UHFFFAOYSA-N	408.885	5.706	30	20	HKED	
CN(C)Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	468439123	OLOYPLAUOJJSDF-QFIPXVFZSA-N	403.913	5.309	30	20	HKED	
CC(C)CN(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(C#N)cc1	468911395	IJFKKYPGWFQATB-UHFFFAOYSA-N	407.420	5.327	30	20	HKED	
COc1cc(Cl)c(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl	469188742	NRUWLKCZCJUHQH-UHFFFAOYSA-N	418.324	5.197	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](C)c1nc2ccccc2s1	469189730	JEOBEUALMJUTJE-IAGOWNOFSA-N	418.566	5.483	30	20	HKED	
C=CCN(C(=O)c1nccc(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	470733871	UUGKNOGSSRZRQV-UHFFFAOYSA-N	405.310	5.048	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cc(Br)ccc2Br)c1	475612874	PNHXOZQTEKJPLD-UHFFFAOYSA-N	411.093	5.029	30	20	HKED	
CC(C)Oc1ccc(Br)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	476444153	UNZNNPBJWDYWEJ-UHFFFAOYSA-N	401.304	5.290	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc12	479577022	VWQCFDIKNGGUPG-UHFFFAOYSA-N	420.925	5.256	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2sc(C3CC3)nc2-c2ccccc2)cc1	480475740	WPFYMSPOJHLCDM-UHFFFAOYSA-N	418.522	5.247	30	20	HKED	
COC(=O)[C@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1	481685985	AEKZSMHTCASFMN-QGZVFWFLSA-N	417.412	5.027	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)c1ccccc1	483514074	HTCPZGMQTVTMRU-KRWDZBQOSA-N	414.896	5.909	30	20	HKED	
C=C(C)[C@H](NCc1nc2ccc(Br)cc2n1C)c1ccc(F)c(F)c1	485824814	CZEAPKQXKSADAA-IBGZPJMESA-N	406.274	5.021	30	20	HKED	
CN(C(=O)c1cccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1)c1ccccc1	487577261	SYDYTSVQYDYWKN-DEOSSOPVSA-N	411.505	5.128	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccccc1C	488916037	SZQDQJCQOOOJIH-QGZVFWFLSA-N	417.538	5.651	30	20	HKED	
CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	505407617	GANHPAXZFWOKFN-HSZRJFAPSA-N	417.553	5.113	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)N[C@H](C#N)c1cccc(Br)c1	506530018	FGEBELRKJUUYCA-OAHLLOKOSA-N	409.736	5.209	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc1	507612236	ZGPUWZFMLPWEQZ-MRXNPFEDSA-N	419.453	5.199	30	20	HKED	
C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N(C)CCC(F)(F)F	508858949	UMXSQJNWJMPQMO-UHFFFAOYSA-N	416.447	5.099	30	20	HKED	
CC(C)(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1F	508985133	YOPMJDQUMKKQJL-UHFFFAOYSA-N	402.469	5.387	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc([N+](=O)[O-])c1	510640747	MJZVFIPARVPILH-HNNXBMFYSA-N	402.410	5.141	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)o1	512125189	XAESTTDVXIFWRW-UHFFFAOYSA-N	415.474	5.030	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1	513284296	LVKGDINOBLHLCK-JOCHJYFZSA-N	416.908	5.420	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Oc1ccc(F)cc1	514495853	PPSLMBLLQUZDPH-QGZVFWFLSA-N	406.432	5.146	30	20	HKED	
Cc1cccc(C2=CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1	516658397	LVXNCUMHKUIWIW-UHFFFAOYSA-N	410.477	5.375	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3coc(C4CCCCC4)n3)n2)cc1	517248674	XUKQPWXAKPKYPA-KRWDZBQOSA-N	407.495	5.344	30	20	HKED	
Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2SCCC#N)cc1	519405824	SNBHPAASYMBWCA-UHFFFAOYSA-N	421.522	5.057	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1	520004377	FEOXNALKVQWYDG-UHFFFAOYSA-N	405.542	5.103	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1cccc2ccccc12	520819390	YISBJCOHYATPDV-QZTJIDSGSA-N	420.603	6.667	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccnc1OC1CCCC1	520938432	ZEKDPHCHQIJJFG-INIZCTEOSA-N	410.543	5.119	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1	521106423	MUVXNQKXFDZAEW-LJQANCHMSA-N	419.550	5.123	30	20	HKED	
N#C[C@@H](NC(=O)CCOc1cccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1	521352659	FQYXLOLNFUCGQL-CQSZACIVSA-N	417.214	5.162	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nc3ccccc3o2)c1	522036273	QRSCEOKJLRWNRY-UHFFFAOYSA-N	403.825	5.075	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)s1	523713037	PXJKAKXOZLUMSN-UHFFFAOYSA-N	406.433	5.384	30	20	HKED	
CCSc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccn1	524459156	YTZBQUMJWNMVBQ-UHFFFAOYSA-N	407.470	5.036	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2Cl)nc1	531442134	NNXAUUTWDFGZCB-TZIWHRDSSA-N	417.896	5.439	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1Cl	534135463	GJCMNJYLDOENPW-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c2c1	535377614	SQUJSXIHGNWQNF-LJQANCHMSA-N	404.429	5.237	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc2)cc1	535514439	PXFXEFPMBFSTNL-UHFFFAOYSA-N	404.853	5.483	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N	537022616	RRMTWYGKQFAARI-ROUUACIJSA-N	411.571	5.157	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)c2ccccc2Oc2ccccc2C#N)cs1	538660274	ZDKUGFGTMBQRMI-MRXNPFEDSA-N	421.522	5.177	30	20	HKED	
N#CC1(c2ccc(C(=O)N(CC(F)(F)F)c3ccc(Br)cc3)cc2)CC1	539618872	UZRGBYIVCMLTJV-UHFFFAOYSA-N	423.232	5.213	30	20	HKED	
C=CCCOCCCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21	540610125	JDJSNLBXABAWDU-UHFFFAOYSA-N	424.516	5.120	30	20	HKED	
C[C@H](NCc1cnc(-c2ccsc2)s1)c1ccc(-c2cccc(C#N)c2)cc1	542184325	NQKMOKDISTVTDG-INIZCTEOSA-N	401.560	6.261	30	20	HKED	
CC(=O)N1CCc2c(sc3nc(C(F)(F)F)c(C#N)c(-c4ccc(C)cc4)c23)C1	542514915	VTCMCOIRFLHXNO-UHFFFAOYSA-N	415.440	5.067	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1C1CC1	542960090	MGISIDSRFPSRES-CYBMUJFWSA-N	423.908	5.086	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cc[nH]c1	544026768	NVZUYSCDVXODLR-LLVKDONJSA-N	404.232	5.086	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	546789935	QFHICSUUOOTWPM-UHFFFAOYSA-N	418.415	5.190	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)C[C@H]1CCCOC1	549734687	NFDOBHLWIWNYNS-WOJBJXKFSA-N	420.557	5.010	30	20	HKED	
C=CCC(F)(F)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	550963512	PSONCCZWCRWASN-UHFFFAOYSA-N	409.436	5.194	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1	551595358	CSAZDNCVUYHZNX-JOCHJYFZSA-N	405.542	5.252	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	552271506	JPZWYUQLIHQJIZ-UXHICEINSA-N	400.444	5.499	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	554578196	FRKCZXNVAFQZCF-UHFFFAOYSA-N	408.571	5.121	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	554909573	ILMSBTWQJGDVCI-CYBMUJFWSA-N	414.321	5.153	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCC)cc1C(F)(F)F	558308344	VXRMXBCAXYMPCJ-UHFFFAOYSA-N	424.467	5.492	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)c1	574729872	WGFIQCCVFSAVAL-UHFFFAOYSA-N	414.456	5.282	30	20	HKED	
N#CCc1ccccc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	582026351	DADOFPOSARNRLU-UHFFFAOYSA-N	423.881	5.718	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	584071714	SUGFRLHIHPDVRC-UHFFFAOYSA-N	412.436	5.327	30	20	HKED	
N#Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cc1	586869496	KTDRDWGRLTYVIE-VXKWHMMOSA-N	409.445	5.023	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1	589018906	FIXCWCGVELESMB-KRWDZBQOSA-N	419.506	5.487	30	20	HKED	
Cc1sc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c(C#N)c1C	591711861	FOROFDSBHJWZLM-UHFFFAOYSA-N	404.417	5.002	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCSc4c(F)cccc43)s2)cc1	603648791	PQZVZZFHDLCYKU-SFHVURJKSA-N	424.526	5.103	30	20	HKED	
C=CC[C@H](C)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	604906141	QTIXOZKSFVKPIP-ZDUSSCGKSA-N	406.408	5.436	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	605923944	GEDLDJVCDKAESR-GOSISDBHSA-N	403.913	5.230	30	20	HKED	
N#CCn1c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc2ccccc21	609162083	WMKDBCWULLBKKC-QFIPXVFZSA-N	418.500	5.208	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl	609164360	LVYGCNHIHXFAGR-FQEVSTJZSA-N	415.880	5.132	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3cc4ccccc4n3CC#N)c(C)c2)n1	609169351	SFAIFXVPLRNVCR-UHFFFAOYSA-N	418.547	5.642	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609725194	MRGAOOUFTFYPRA-UHFFFAOYSA-N	417.852	5.527	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(COC4CCCC4)cc3)CC2)c1	610097553	JCIDZEVDJKVYGZ-UHFFFAOYSA-N	419.525	5.093	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)c(F)c1	610165812	WGVFWOVWHUJFQR-UHFFFAOYSA-N	409.511	5.115	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](Cn3cccn3)c3ccccc3)cc2)c1	610167256	XPXJKBQIZGPIAG-DEOSSOPVSA-N	423.476	5.110	30	20	HKED	
C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccccc1C(F)(F)F	610224342	ZXUBMPMHAATXEH-ZDUSSCGKSA-N	414.349	5.272	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1cccc(C#N)c1	610350331	RKOLLZRSAFAHLW-MSOLQXFVSA-N	417.484	5.398	30	20	HKED	
CCC1(O)CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	611316906	VZXKGSDWLTYLNH-GTPZEUEISA-N	411.933	5.201	30	20	HKED	
N#CCC1CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)CC1	611678066	LZCBLGLGZYEBAA-UHFFFAOYSA-N	407.464	5.198	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1Cl	619748873	WUIZGGKDTKQKMZ-UHFFFAOYSA-N	411.820	5.341	30	20	HKED	
Cn1ccc([C@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2)n1	679768860	VQZFFXDBNYVBPN-RPCCPQHDSA-N	423.376	5.148	30	20	HKED	
CC(C)(C)[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)F	681491369	HXSSYUWUPDGQJO-NRPADANISA-N	416.328	5.172	30	20	HKED	
O=C(Cc1ccc(Cl)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684121354	MTNKPVOZAHTJFI-URLYPYJESA-N	405.741	5.047	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(OCC(F)F)c2)cc1	726696263	NBZPSUVQPQYJPX-QFIPXVFZSA-N	421.447	5.308	30	20	HKED	
Fc1ccc(CON=Cc2cccc(OCc3ccncc3)c2)c(Br)c1	727434174	IUVLEBIMRXMFKP-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728299974	WJWHFVATFCEIEN-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1	728687450	GTAITNSRAXAHQW-HSZRJFAPSA-N	401.485	5.580	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	728768702	KBOACFNBDBFCNN-DZGCQCFKSA-N	412.461	5.467	30	20	HKED	
CCn1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1	731156041	FUINDKOVVFNWDT-UHFFFAOYSA-N	406.555	5.457	30	20	HKED	
O=C(/C=C/c1c(OC(F)F)ccc2ccccc12)c1ccc(C(F)(F)F)nc1O	731565000	XMOKBXHEHHBGDT-SOFGYWHQSA-N	409.310	5.457	30	20	HKED	
N#C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1	731646167	YWRVTGXVLQVIGV-AWEZNQCLSA-N	404.080	5.060	30	20	HKED	
N#CCCCCS(=O)(=O)Oc1ccc(-c2nc3cc(Cl)ccc3s2)cc1	731671745	ODUKMEJTHYHWPT-UHFFFAOYSA-N	406.916	5.019	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1	733802125	GICCWJDGJOAUOK-LIRRHRJNSA-N	418.324	5.161	30	20	HKED	
N#CCOc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	735002683	OIULYGCZUVCHFS-UHFFFAOYSA-N	403.825	5.159	30	20	HKED	
Cc1ccc([C@@H]2[C@H](C)CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	738340588	MFPKEDRWSURLHA-QLWBXOBMSA-N	410.521	5.005	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccoc4)n3)n2)cc1	739155927	LBCMTTNWOGMPTA-QGZVFWFLSA-N	405.504	5.254	30	20	HKED	
OC1(C(F)(F)F)CCC(=NNc2c(Cl)cc(Br)cc2Cl)CC1	741845323	SRYIFAJDARKJNW-UHFFFAOYSA-N	420.056	5.391	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2scnc2C)C(=O)c2ccccc2)c(Cl)c1	742430805	BBPAYOHHKKWLAJ-GZTJUZNOSA-N	410.926	5.627	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Br)s1	744064512	XNXCEFQPJRAWEH-CMPLNLGQSA-N	418.341	5.009	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	744908701	XDCYNRSLVDVINM-UHFFFAOYSA-N	412.493	5.298	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1cccc(-c2csc(C)n2)c1	745671674	BDGKAOFOFMKPKY-UHFFFAOYSA-N	424.547	5.192	30	20	HKED	
C#CC[C@@H](OC(=O)C[C@]1(CC)OCCc2c1[nH]c1c(CC)cccc21)c1ccccn1	759307895	GHEIJRPTHZDEQA-GJZUVCINSA-N	416.521	5.001	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccs3)C2)cc1	761620165	URFRCDLFDQUSHJ-SFTDATJTSA-N	403.507	5.009	30	20	HKED	
COc1ccccc1-c1ccc(/C=C/C(=O)c2cc(Br)ncc2F)cc1	762422773	MEIQSSSXLFMYDI-DHZHZOJOSA-N	412.258	5.555	30	20	HKED	
C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)Nc1ccc(F)cc1OCC#N	766454220	UXGWYQYKGXUDHF-CHWSQXEVSA-N	409.383	5.061	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)cs1	766696537	UDDXBTCDVCMIOC-XLTHYULKSA-N	406.482	5.659	30	20	HKED	
CN(C(=O)c1cccc(C(=O)OCc2ccccc2C(C)(C)C#N)c1)c1ccccc1	768027271	RLKKEXVZWHTCIA-UHFFFAOYSA-N	412.489	5.121	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCO1	781797527	OKVDDEUGQLCRAR-KSMMKXTCSA-N	404.482	5.106	30	20	HKED	
FC(F)(F)c1nc(Cl)ccc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1	787251972	QNKHMEXDBRCVAW-UHFFFAOYSA-N	400.672	5.071	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1	795993587	VJLJKUKLOQZTTM-SIKLNZKXSA-N	412.489	5.311	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	799602107	HHOCZYLBJRCSTM-NRFANRHFSA-N	412.489	5.176	30	20	HKED	
N#CC1(CCCOC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CCOCC1	800227049	RQNPNYOIJOIBNF-UHFFFAOYSA-N	407.297	5.246	30	20	HKED	
C#C[C@@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc(Cl)cc1F	805779040	OQJIGYWQABYXLJ-LJQANCHMSA-N	402.878	5.220	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	808359524	AMZIRYHMSKSVII-MRXNPFEDSA-N	416.974	5.935	30	20	HKED	
CCN(c1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1)C(C)C	812454648	MXHLDKBSXVAHQL-HXUWFJFHSA-N	404.539	5.291	30	20	HKED	
Cc1cc(CC(C)(C)C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1Br	815915073	CHMOSYNICKUJDH-HNNXBMFYSA-N	411.299	5.344	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1OC	820847244	WXQHONVGQGDWAT-GFCCVEGCSA-N	400.828	5.178	30	20	HKED	
O=C(c1sc2cccc(F)c2c1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1	883979827	XDDAVNXYCBKESD-UHFFFAOYSA-N	419.749	5.651	30	20	HKED	
Cc1nc2sccc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1	914867088	SKGLEOFOZBFSEU-UHFFFAOYSA-N	420.346	5.684	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc2ccccc2n1	916848539	LPRIAAPJXYAYMO-LJQANCHMSA-N	408.423	5.942	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccccc1Cl	916908794	IWOBEAGAGZOQNX-QGZVFWFLSA-N	402.837	5.129	30	20	HKED	
Cc1cc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1Cl	917025445	KSZCGZKQYVKFKL-GOSISDBHSA-N	410.926	5.807	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1	919904605	PEXQAGJOSUCGIC-XMMPIXPASA-N	410.521	5.264	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(Cc2cccc(Br)c2)C(C)C)c1=S	919955450	ZMCBEDITCFFQHG-UHFFFAOYSA-N	421.408	5.108	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	920018192	VSDKCTOBDTVWQP-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1	1787594629	LATXIAOZHFKYRL-UHFFFAOYSA-N	419.525	5.068	30	20	HKED	
C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CC3CCC(C)(C)CC3)CCC2)cc1	1791577724	RIYKVWMHZWELME-MRXNPFEDSA-N	402.604	5.045	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC(C)(C)C)CCC3)cc2)c1	1792122323	JVXVZBRTIFOHMJ-GOSISDBHSA-N	417.553	5.498	30	20	HKED	
C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1	1831852621	WAZPXQAMUSEHNV-HSZRJFAPSA-N	414.634	5.016	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2cccc(Cl)c2)c1	10831114	BGEBNKAWJBVMHS-UHFFFAOYSA-O	423.989	6.110	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2F)cc1	11170806	FTIJWCKGVJGXIT-UHFFFAOYSA-O	421.561	5.733	30	20	HKED	
Cc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCC[C@@H](C)C4)cs3)s2)o1	31257877	VCMGXKLDHOXGGG-GFCCVEGCSA-N	416.572	5.345	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)o1	41547228	NKJZTBCLVCWJCD-KRWDZBQOSA-N	408.417	5.072	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1	237509293	UGIZIXGBYSLRGZ-NRFANRHFSA-N	422.532	5.179	30	20	HKED	
CCOCc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	303674124	PYAPYIGJPYBYHX-UHFFFAOYSA-N	406.869	5.793	30	20	HKED	
C=CC[C@@H](C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)c1ccccc1	427009517	RFQFEICNHSYHSF-OAQYLSRUSA-N	403.551	5.271	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(CC3CCC3)CC(F)(F)F)cc2)cc1	427926274	QUWRNOWNYQWDFR-UHFFFAOYSA-N	402.416	5.350	30	20	HKED	
COc1ccc(C#N)cc1CS[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1	434933321	LDSKAWYEZBLYGK-LBPRGKRZSA-N	423.519	5.532	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1	435667358	KCGQMHFYUOMMJQ-DMTNHVFBSA-N	423.516	5.182	30	20	HKED	
Cc1c(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cccc1[N+](=O)[O-]	438986459	QPDFQZMIWJNBFY-UHFFFAOYSA-N	423.416	5.109	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1cccnc1)C1CC1)c1ccc(C(F)(F)F)cc1	442280011	VXDJELUIUKIOFQ-FQEVSTJZSA-N	403.448	5.482	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21	444256997	BFSDRXRAUOCCLK-LJQANCHMSA-N	411.292	5.247	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F	444438889	PCGIDAQGPHUUAC-CQSZACIVSA-N	424.272	5.176	30	20	HKED	
C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(F)c(F)c1	460152306	STUKJOSMCYLVQP-AWEZNQCLSA-N	410.395	5.297	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(Br)c1)c1cc(C(F)(F)F)ccn1	464464902	HZEFZJSXCXHKJF-GFCCVEGCSA-N	403.585	5.006	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1	466509392	YGHSCHCLFRMXSR-UHFFFAOYSA-N	401.510	5.389	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NCC(=O)N(CCC#N)c2ccccc2)c1	470556005	LTPPNQYPPCTRPN-UHFFFAOYSA-N	407.461	5.008	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccccc3O[C@H]3CCOC3)cc2)cc1	470794217	AQJABIIHHCPQOL-NRFANRHFSA-N	415.449	5.162	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)c1ccc(-c2ccccc2)nn1	472002192	LTZWFWGZVKEWCS-UHFFFAOYSA-N	413.399	5.004	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[C@H](C)N(C)Cc1ccccc1	472755757	STRDVJQELYHQLG-OALUTQOASA-N	410.587	5.113	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@]4(C3)OCc3ccccc34)c2)cc1	473664194	FYTRVJZOBNEUBJ-RUZDIDTESA-N	411.461	5.014	30	20	HKED	
CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1F	473741075	JHMSQPGUVSBDIY-HNNXBMFYSA-N	414.502	5.078	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1	475543560	CSGHSFYTUGUSRI-DEOSSOPVSA-N	421.585	5.506	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1	475804175	GOXIQTVYYBTRNI-KRWDZBQOSA-N	408.548	5.407	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1F	478553131	SXDFAOORPXRCPW-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
C=C(C)[C@@H](NCc1csc(COc2ccc(OC)cc2)n1)c1ccc(F)c(F)c1	479423554	QEODTBXZQATEQJ-JOCHJYFZSA-N	416.493	5.416	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(NC(=O)CCC)c1C)c1ccc(F)c(F)c1	480844127	NWZQUAJPXHOKKW-OAQYLSRUSA-N	401.457	5.451	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)cc1	480886243	SJTJHZGBNBUICZ-UHFFFAOYSA-N	405.457	5.152	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	480997072	BAYIXMGOFJZSEA-KRWDZBQOSA-N	421.566	5.107	30	20	HKED	
COc1cc(OC2CC2)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	482564144	XXWBCAAEGMWIPW-GOSISDBHSA-N	424.909	5.503	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483202922	PSRSBOHPZCGDQC-HNNXBMFYSA-N	422.366	5.102	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483228517	CVSHGVIBQZVLGK-IBGZPJMESA-N	405.479	5.381	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)sc21	483440938	RVWIBOVISPRJHH-INIZCTEOSA-N	411.490	5.070	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1C#N	486279834	JNALVNXQSQJKBO-UHFFFAOYSA-N	407.514	5.011	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1	488626125	JYYLTDCYUGKAKW-OAQYLSRUSA-N	418.468	5.385	30	20	HKED	
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1-c1ccccc1C#N	491031606	ZAPSTQSJGINSGM-HSZRJFAPSA-N	423.560	5.209	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)c1	494534851	WOMGEFVNEWANHQ-UHFFFAOYSA-N	420.472	5.677	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cnc(OC3CCCCC3)c(Cl)c2)n1	498063193	SVDLXRRESAAWQY-HNNXBMFYSA-N	403.935	5.516	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)sc2c1CCCC2	499328980	UOLDXFMAIIRJMM-GJZGRUSLSA-N	401.329	5.003	30	20	HKED	
C=CCc1ccc(OCC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c(OC)c1	499354607	FTMBZZQWHDYLLQ-OAHLLOKOSA-N	407.432	5.041	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1)O[C@H](C)C2	499956509	RBNGMUDCZPCLTL-FRGLQRNOSA-N	418.537	5.073	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1	502286378	VPEPTVUNFHPRLT-UHFFFAOYSA-N	424.548	5.025	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1	505049876	FKHNMCABXINKES-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1	505238548	JUSQSJKTPUNNKB-HNNXBMFYSA-N	422.978	5.658	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1	507860081	NWRRFZCAXCXJQX-UHFFFAOYSA-N	419.569	5.287	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1	509576563	WOFYEGPRUYTPHY-DGCLKSJQSA-N	408.233	5.081	30	20	HKED	
C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510004527	FWMKCLXDWRQOTN-HRAATJIYSA-N	421.903	6.359	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](c2ccnn2C)C1)c1ccc(C(F)(F)F)cc1	511529052	OLWOJYLPZRJVQA-PKOBYXMFSA-N	420.479	5.035	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccn3Cc3cccs3)n2)cc1	516270353	UPLHBJDXHFTURC-GOSISDBHSA-N	419.531	5.220	30	20	HKED	
CC(C)Cn1ccc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccc21	517656199	WTBXVXGLFXDHTM-UHFFFAOYSA-N	410.477	5.609	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1	520856521	IRKNXHAQVDHVIC-KBPBESRZSA-N	405.470	5.422	30	20	HKED	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	522574802	HACNSICSEDCPEI-UHFFFAOYSA-N	421.840	5.184	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)cc1	522587647	SCAUUZMWWYOGLA-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)ccc1F	524457558	OCELEQZXKVUJDC-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
C=C(C)COc1cc(CN[C@H](CC)c2nc(C(F)(F)F)cs2)ccc1OC	524773081	SQQZWMQIEDUSBL-CQSZACIVSA-N	400.466	5.366	30	20	HKED	
N#Cc1ccc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)c(F)c1	525502471	DCZMTBZIABFZBF-UHFFFAOYSA-N	404.510	5.128	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)s2)cc1	525796433	QXEVLAIRNJQQGO-UHFFFAOYSA-N	418.503	5.066	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1ccccn1)c1ccc(C(F)(F)F)cc1	532761319	UIGRHFMPRUZFEX-AZUAARDMSA-N	403.448	5.654	30	20	HKED	
N#C[C@@H](C(=O)c1cnc([C@H]2CCCO2)s1)c1nc(-c2ccc(Cl)cc2)cs1	536349011	HPXRDSDVXKOODM-DZGCQCFKSA-N	415.927	5.262	30	20	HKED	
COc1ccc2cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c(C)nc2c1	537664911	GRZJACIYPWCGIH-MRXNPFEDSA-N	407.882	5.305	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C	538234362	KVGSKEXOQOIPMW-OPAMFIHVSA-N	413.562	5.535	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCCOc4c(Cl)cccc43)cc2)nc1	539428518	IFVVIYPAXOIYKN-HXUWFJFHSA-N	419.868	5.043	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1	540278476	BFQLUQZTZXBSKM-AREMUKBSSA-N	418.500	5.209	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1cc(F)ccc1F	542004897	UBPIECNDTDYCKO-CVEARBPZSA-N	405.448	5.181	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	542979920	VGXDQOMSXOKAMY-UQBPGWFLSA-N	408.505	5.631	30	20	HKED	
C=CCn1c(SCc2sc(C)nc2C(F)(F)F)nnc1-c1cccs1	544678058	WGKVLVTWSMBIDN-UHFFFAOYSA-N	402.492	5.269	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	546086510	CXAPPJCQVAYUPN-LSDHHAIUSA-N	400.931	5.439	30	20	HKED	
COc1cccc(C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1	548406831	XXCLXNKNWHYIMG-KRWDZBQOSA-N	409.555	5.358	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CCCOc2cccc(Cl)c2Cl)cc1	557565657	WNUKUJXGEFYTPA-UHFFFAOYSA-N	422.312	5.099	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	558357719	AUXJEGVYGXAVJI-AOMKIAJQSA-N	419.912	5.887	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl	560692876	YCLQUHPGPNXUHC-UHFFFAOYSA-N	416.239	5.373	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(C)C)nn1-c1ccccc1	564133002	MIBIAXGUIYXBIM-UHFFFAOYSA-N	420.561	5.383	30	20	HKED	
CC(C)(CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	579736078	ILQCBMQSUGGIDO-NSHDSACASA-N	424.307	5.587	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)N[C@@H](C)c2cccc(C#N)c2)cc1OC	580590071	PLSUSSAUJNVPBN-CYFREDJKSA-N	400.522	5.519	30	20	HKED	
CC(C)CCN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	588346701	LUOYHLTVIVXWTM-UHFFFAOYSA-N	410.465	5.134	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1OC	595002197	DZAZCVHBVFPKFS-RUZDIDTESA-N	416.521	5.191	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1	604006367	JIJJLJZXLRDMPU-UHFFFAOYSA-N	423.516	5.284	30	20	HKED	
Cc1nn(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1Cl	604113163	WDGNHBDTVMGNGO-GOSISDBHSA-N	413.308	5.101	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)cc1	604118053	QRAKJYXENBOOJX-INIZCTEOSA-N	401.441	5.082	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN1CCc2ccccc21	608915937	FLJJIUYGHLKVHB-UHFFFAOYSA-N	424.548	5.563	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1	609375561	QOWXHCYCQZQEPU-UHFFFAOYSA-N	419.984	5.712	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(CSC2CCOCC2)c1	609715240	PXAWERLYBUCICD-UHFFFAOYSA-N	414.546	5.458	30	20	HKED	
CC(C)c1cnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1C(C)C	610034224	ZQNOJWUTGNOWGE-MRXNPFEDSA-N	416.616	5.570	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1	610171055	HASYDYLWUKCOKU-UHFFFAOYSA-N	416.525	5.249	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1	611357616	OXRDEIQBJFZIBI-RTBURBONSA-N	405.498	5.021	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1C1CCCC1	612024347	SKRLILVGWYJWMF-UHFFFAOYSA-N	415.497	5.262	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613405061	UNCUFWZFETXLKL-LLVKDONJSA-N	409.458	5.694	30	20	HKED	
N#CCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F	619648789	KDFXWEBRPMSVJX-UHFFFAOYSA-N	403.429	5.190	30	20	HKED	
Fc1cccc(F)c1-c1nc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)co1	676883517	NCBGACCAELLANX-AOOOYVTPSA-N	414.296	5.183	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(OC(C)C)c(Cl)c3)n2)cc1	678324664	QRZNLBUQNPOLCX-MRXNPFEDSA-N	411.914	5.444	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3C)n2)cc1	727626654	FANQOJSMXMPROD-QRWLVFNGSA-N	417.534	5.593	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=NNc2c(F)c(F)nc(F)c2F)CCC3)cc1	727648434	DYXDBGJOYKOELE-UHFFFAOYSA-N	406.408	5.222	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(Cc2ccccc2)CC(C)(C)C)c1=S	728902055	BQDBFVQHXWPBDX-UHFFFAOYSA-N	407.587	5.168	30	20	HKED	
Cc1cc2oc(=O)cc(COC(=O)c3cc4ccccc4n3CC#N)c2cc1C(C)C	729767903	ADCOSMMUWDBQRQ-UHFFFAOYSA-N	414.461	5.060	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(OCC(C)C)cc2)cc1	730396068	LPTSXBRILFGALQ-WZONZLPQSA-N	406.526	5.125	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	731589589	ZJBSUSNONSZISU-SEPOPDPSSA-N	421.500	5.187	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CSc3ccccc3)n2)cc1	732497288	MJFYZICQWHAGFO-HNAYVOBHSA-N	408.548	5.423	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1OC	733616326	QNWMXGPYTXYUHY-QFIPXVFZSA-N	415.493	5.365	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1)c1ccncc1	734660809	BFQXVIYVVUWVLR-BJKOFHAPSA-N	401.510	5.186	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)COc1ccccc1-c1ccccc1	735334133	NHLJHJSAYJYORK-UHFFFAOYSA-N	407.853	5.032	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C)cc1	739154952	NJSHFOWRWXKCOJ-YOEHRIQHSA-N	403.309	5.533	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)c1cc2ccccc2n1CC#N	739307394	YSAUXOZCOLNTOL-HNNXBMFYSA-N	419.481	5.654	30	20	HKED	
Cc1ncsc1/C=C/C(=O)c1sc(-c2ccc(Br)cc2)nc1C	742435358	WIUHZHYWZQAMQG-BQYQJAHWSA-N	405.342	5.542	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030366	FNPJHJYDOLEZRO-WFASDCNBSA-N	407.272	5.049	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1	747862980	IWTYTPJTSSEMGY-AWEZNQCLSA-N	406.442	5.095	30	20	HKED	
N#C[C@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc2ccccc2s1	751826072	QBWHNIZXXUWAAS-MTHQAXEFSA-N	404.457	5.621	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1	752637227	PQJVBKALRRRZPF-VWLOTQADSA-N	413.496	5.893	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1C#N	752766427	YPSKPQOYBUCONA-UHFFFAOYSA-N	422.482	5.250	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccccn1)c1nc2cc(C(F)(F)F)ccc2s1	756243528	RQRUFKWZYNSRIZ-LBPRGKRZSA-N	407.442	5.069	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2c(C(F)(F)F)ccnc2Cl)cc1	760016880	FMQZYPIUYBWWRR-UHFFFAOYSA-N	415.802	5.222	30	20	HKED	
COc1ccc(COCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	760969669	PXMGJSQYDUQLGI-NRFANRHFSA-N	420.534	5.300	30	20	HKED	
CC[C@H](OC1CCCCC1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	761108968	QTCGZXBILGXIIB-KDOFPFPSSA-N	404.482	5.392	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCc3ccccc3[C@H]2CC)c1=S	765011575	JTXLNGPRBGZCLY-OAQYLSRUSA-N	405.571	5.019	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)cc1Cl	768848639	PEIDKOZPZQYDBM-CLFYSBASSA-N	410.926	5.196	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](c3cccc4ccccc34)C2=O)cc1	771908027	WWTQUMUVVVXZMQ-JWQCQUIFSA-N	417.468	5.293	30	20	HKED	
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)Cc1ccccc1CC#N	776991095	PJCZGDJJRRQDIY-AWEZNQCLSA-N	413.308	5.046	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)n1	777325803	SQCHAOVCTOPIND-BRWVUGGUSA-N	419.591	5.306	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1C	780165288	RILSPOIZRBHELN-KRWDZBQOSA-N	403.507	5.393	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	780531502	BUSQBJBCLFZXEQ-OAHLLOKOSA-N	422.872	5.249	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	780671525	SBQHNIXQISTBGJ-KDOFPFPSSA-N	403.404	5.365	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C\c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C2=O	788363535	UAPJORMTCMSEBY-RQZCQDPDSA-N	415.380	5.005	30	20	HKED	
N#CCCn1cc(C=NNc2c(Cl)cc(Cl)cc2Cl)c(-c2ccncc2)n1	788409351	SXJZVAHWFGFDDA-UHFFFAOYSA-N	419.703	5.265	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(C(F)F)c1)C(=O)Nc1ccccc1Oc1ccccc1	790767044	HKZMCYIAAKLMGA-LJQANCHMSA-N	420.415	5.307	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N(CCC#N)c1ccc(F)cc1	791130823	UISRQIYSTMFQFD-UHFFFAOYSA-N	411.477	5.052	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(Cl)nc3cc(Cl)ccn23)S1	794695044	KOIPTWSZPUGTSO-ZROIWOOFSA-N	417.321	5.150	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H](c3ccccn3)C2)c1	798721018	FSINYZSPJQSHLI-QGZVFWFLSA-N	403.869	5.029	30	20	HKED	
CSCc1cccnc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	811437019	ZPSIYZHGUIOKEF-UHFFFAOYSA-N	402.519	5.001	30	20	HKED	
N#Cc1c(F)cccc1/C=C(/Cl)c1nc(O)c2cc(-c3ccccc3)sc2n1	811688977	UWTCAEDBPUTHDS-CXUHLZMHSA-N	407.857	5.812	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCCSc1ccccc1F	825131035	OTFJMUPRCKFVNQ-UHFFFAOYSA-N	419.522	5.206	30	20	HKED	
CCn1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c2ccccc21	915048735	VHNYWZCBUTYOEJ-UHFFFAOYSA-N	411.534	5.168	30	20	HKED	
CCOc1ccccc1CCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915103854	GVMWWGPIZOQMJX-HNNXBMFYSA-N	418.440	5.523	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cl)nc2)cc1Cl	916684310	XLSBCPNVEBQQJN-GOSISDBHSA-N	411.292	5.366	30	20	HKED	
CC(C)c1cccc(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1	916917580	HSQZHUUKFJTHHW-HTAPYJJXSA-N	400.478	5.078	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2c(Cl)cccc2s1	916939008	NWLDRNSSYLGVEY-LLVKDONJSA-N	407.253	5.308	30	20	HKED	
N#C[C@@H](C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1nc2ccccc2o1	917510243	ZGLJYDTWEUPYRC-UGKGYDQZSA-N	406.445	5.012	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2cc(Cl)ccc2OC(F)F)cc1	917517785	KVIZAAWPOZKUAH-YWEYNIOJSA-N	418.827	5.150	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2cc(Br)ccc2o1	920106135	SJXNVJYMTCXHJU-HNNXBMFYSA-N	421.250	5.190	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C34CC(C(F)(F)F)(C3)C4)CCC2)cc1	1791244360	OPQNDMFNFFOHNJ-TVRCVXMWSA-N	420.475	5.065	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C[C@H](C)c3ccccc3)CC2)C1	1805458520	NFVPRQRVXOYWCK-QFIPXVFZSA-N	422.613	5.180	30	20	HKED	
C[C@H](c1nnc(SCc2ccc(C#N)cc2F)n1-c1ccccc1)N1CCCCC1	11222922	WTMJWYZMTYZOAD-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nc2ccccc21	12238526	CPNIJHGTYDIONC-UHFFFAOYSA-N	421.570	5.192	30	20	HKED	
C=CCn1c(SCc2ccc(F)cc2Cl)nnc1[C@H]1COc2ccccc2O1	20976727	MXOYMQWVUMVIDQ-GOSISDBHSA-N	417.893	5.061	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47570339	HNFBHMISTMTZHA-UHFFFAOYSA-N	403.457	5.135	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1cccc(Cl)c1Cl	55844545	HICWLYUKORWQMX-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(CCC)n1	97150411	UPMHNTLPYLRWOA-UHFFFAOYSA-N	420.991	5.398	30	20	HKED	
Cc1cccc2cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)oc12	148258958	VEZNGCNNILWNTR-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1cccc(Cl)c1	303361587	HKMVDZSJLQOQMD-MRXNPFEDSA-N	401.963	5.052	30	20	HKED	
C=CCn1c(SCC2CCOCC2)nc2scc(-c3ccc(C)cc3)c2c1=O	303543332	ULTHCRNQEHCBMZ-UHFFFAOYSA-N	412.580	5.138	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1	303750595	AFLPJIUBOPHGIC-MSOLQXFVSA-N	412.892	5.036	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCOC4(CCCCC4)C3)cc2)cc1	426117422	VYRKMWSGBXGNPN-FQEVSTJZSA-N	405.498	5.354	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cccc(OC3CCCC3)c2)c1-c1ccccc1	428309238	KUKFWZGMJAZPKB-UHFFFAOYSA-N	400.482	5.037	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(-c3ccco3)nc3ccccc23)s1	430627906	NVDKHKMFZFGYPQ-INIZCTEOSA-N	401.491	5.739	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)o1	434252023	YFORBLABOCKITO-UHFFFAOYSA-N	418.880	5.313	30	20	HKED	
CN(Cc1cccc(NC(=O)c2ccccc2Cl)c1)Cc1cc(C#N)ccc1F	434984532	AVBLTYGVCRKANF-UHFFFAOYSA-N	407.876	5.235	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NCc1cn(CCC#N)nc1-c1ccncc1	435125012	BUAUUZUGBPEVRO-HXUWFJFHSA-N	414.557	5.158	30	20	HKED	
C[C@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccc(C#N)cc1	435563114	KQHUUGIVDUCZSF-HNNXBMFYSA-N	400.869	5.042	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1	436359854	KZBCEEFEQNIFQE-RPWUZVMVSA-N	415.537	5.117	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1	437401706	BKPAFWNZFAGANF-YWZLYKJASA-N	415.459	6.122	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	438044207	XLIFUNGEAHOKEH-QFUCXCTJSA-N	404.539	5.242	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)c(Cl)c2)cs1)c1cccc(C)c1C	438883589	NRSAANYWGVMEGY-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)c1ccc(C#N)cc1	439935950	UWDNTJSRLJAKNP-UHFFFAOYSA-N	409.898	5.111	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H]1CCCc2nc(O)ccc21)c1ccc(C(F)(F)F)cc1	441517272	ZCNOLZDEWJUNJT-IEBWSBKVSA-N	419.447	5.190	30	20	HKED	
N#C[C@H](C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1)c1ccccn1	442654624	PZABEUWYOYCATI-IBGZPJMESA-N	413.329	6.171	30	20	HKED	
C[C@H](Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1)c1cccc(C#N)c1	442900709	NPBXQQXYLSZCDA-AWEZNQCLSA-N	418.913	5.103	30	20	HKED	
Fc1cc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c2ncccc2c1	444745458	URQQOVBKBLXJCT-KRWDZBQOSA-N	416.340	6.176	30	20	HKED	
N#Cc1ccccc1/C=C/c1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1	445336638	ZFADHVGJCGAZSF-CCEZHUSRSA-N	422.444	5.085	30	20	HKED	
CC1(C)CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC[C@H]1C(F)(F)F	447696745	UMOIOIGRSLPQFE-SNVBAGLBSA-N	421.288	5.059	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1Cl	463379018	YFWAHXIASMKZAI-GHTZIAJQSA-N	424.978	6.026	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1	464814722	NHBOCMODTVJXOD-MJGOQNOKSA-N	413.308	5.315	30	20	HKED	
COc1ccc(-c2nc(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)cc1OC	464826616	ZVANHQMVLCOUBH-SFTDATJTSA-N	419.550	5.099	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1	465875504	ZUAKYBOATOQXMY-HXUWFJFHSA-N	421.585	5.105	30	20	HKED	
C[C@H](C#N)C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1	468567541	UNRMEJQWPUUYBW-CYBMUJFWSA-N	414.349	5.413	30	20	HKED	
CC(=O)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	468978437	NFXHPWJZJNUYIC-UHFFFAOYSA-N	404.853	5.246	30	20	HKED	
Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(Cl)cc1F	470357935	VPVQIFOVFWCGLO-UHFFFAOYSA-N	418.906	5.055	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3CCC3CCCC3)ccc21	470534130	YFTJKNYKSUSRDD-JOCHJYFZSA-N	422.573	5.236	30	20	HKED	
C=CCN(C(=O)c1[nH]c2ccccc2c1Br)c1nc2c(s1)CCCC2	471138507	AOQZCRFJXJNASI-UHFFFAOYSA-N	416.344	5.099	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c2ccccc21	472232601	NDGGLUCNPFHPFO-VWLOTQADSA-N	410.521	5.446	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)N(CCC#N)Cc1ccccn1	473786783	FNBJMBPMFHSWAM-UHFFFAOYSA-N	408.571	5.763	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1	475557784	DUGUEWLBBMTCKZ-OAHLLOKOSA-N	415.559	5.363	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1	476671021	NIHFAEVIGSZVDM-HNNXBMFYSA-N	403.345	5.289	30	20	HKED	
CC[C@H](C)n1nc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C	480312996	FVIZFZHTTPRNAL-KRWDZBQOSA-N	417.513	5.452	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccc(O)cc2SC)cc1	486957533	QFYVZNZMBHCIEW-UHFFFAOYSA-N	421.478	5.431	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	487860189	UHCXSUURBCJRMT-OALUTQOASA-N	421.566	5.189	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccco1	494081245	XXKLNEQTZILCRJ-KSFYIVLOSA-N	421.522	5.594	30	20	HKED	
Cc1cc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C)s1	498045844	IVFOCPQFKPPHFK-KRWDZBQOSA-N	406.555	5.250	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1	499235122	DTZIJWYYPMFGPA-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)cs2)cc1	504075474	YUAHRCUFOLHZDS-KRWDZBQOSA-N	419.550	5.694	30	20	HKED	
CC(C)(C)c1noc(-c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)n1	505314012	WVHBJFWULBCRIA-HNNXBMFYSA-N	402.479	5.134	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N(C)Cc1ccc(Cl)s1	508938124	GXLANCMVYGHILO-UHFFFAOYSA-N	420.991	5.116	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	512227102	QKDCWFCEENDARH-OAHLLOKOSA-N	407.436	5.118	30	20	HKED	
Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(C#N)cc3F)c(C(F)(F)F)c2)n1	512648348	MUUACMGNIGNEJJ-HNNXBMFYSA-N	416.422	5.370	30	20	HKED	
CC(C)[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccc(Cl)cc1	513001264	DGHTXIXRZCQANN-QFIPXVFZSA-N	407.949	5.042	30	20	HKED	
CSc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	513951810	OANMDOAMOUMMET-UHFFFAOYSA-N	405.498	5.654	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(N3CCCC3)c(F)c2)sc2c1-c1ccccc1CC2	518539812	SOLDPBCLJWIMHP-UHFFFAOYSA-N	417.509	5.377	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3ccccc3C(F)(F)F)c2)c1	519103110	NUZHQZAIHWUMIR-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCCSCc1ccccc1C#N	520154286	RMPZNQJJQRWXBE-OAHLLOKOSA-N	421.488	5.213	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c12	520811038	ZTAQLEATSZUSOU-UHFFFAOYSA-N	417.469	5.287	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C3(c4cccc(F)c4)CCOCC3)cc2)c1	521792305	HLRQHELCTGUMKH-UHFFFAOYSA-N	416.452	5.177	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCCCOc3cccc(C#N)c3)c2)cc1	523579193	FTYXJSDLHKHDEQ-UHFFFAOYSA-N	411.461	5.410	30	20	HKED	
N#Cc1c(Cl)cccc1SCc1nc(O)c2c(-c3ccccc3)csc2n1	536699056	VVFKLNDWXWRPEJ-UHFFFAOYSA-N	409.923	5.881	30	20	HKED	
CC[C@@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc(OC)cc1	537207202	BBQNNQDHOFHFRZ-OAQYLSRUSA-N	401.466	5.195	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	538162667	HBYAZMJJTDOJGO-MSOLQXFVSA-N	411.571	5.157	30	20	HKED	
CC1CCC(OC2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)CC1	539755191	NGYBSSMBHBGGTG-UHFFFAOYSA-N	418.537	5.550	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541130459	GIFIZTDPERHEML-ZWKOTPCHSA-N	414.480	5.451	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	541705029	XDCLMECNTDMWIN-RDTXWAMCSA-N	410.930	5.377	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	543635592	ITRJLKSOUDWLAG-CYBMUJFWSA-N	410.474	5.180	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	553339269	DAOCEKBIACZQPQ-SFHVURJKSA-N	411.546	5.112	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccncn1	555037094	YVRQGWNNTHVPCB-QGZVFWFLSA-N	403.438	5.144	30	20	HKED	
CN(C(=O)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1)C1CCCCC1	563791570	WACHKFNNOQZQNQ-UHFFFAOYSA-N	415.459	5.594	30	20	HKED	
CCOC1CC2(CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C2)C1	570071164	MGTFBNUYIJSWJP-UHFFFAOYSA-N	410.901	5.035	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(F)c1Cl	572192032	UHTYWSFJDSAXGH-CYBMUJFWSA-N	408.951	5.603	30	20	HKED	
N#CCc1ccccc1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1	574102390	BFMGAEUATWLOAZ-HSZRJFAPSA-N	406.938	5.867	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12	582444619	LZAHORINBBBRQR-QHCPKHFHSA-N	409.530	5.058	30	20	HKED	
CC(C)c1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	603984047	ZTWCKPLIIDFPLP-UHFFFAOYSA-N	420.534	5.256	30	20	HKED	
Cc1cc(F)cc2[nH]c(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc12	604860573	DVNQMFCKIHTCAI-NXEZZACHSA-N	410.333	5.255	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1	608807063	MEEZFYVJGQFMGJ-UHFFFAOYSA-N	416.452	5.342	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1	608870646	LSJOOWBLIOVWFW-OAQYLSRUSA-N	421.928	5.683	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C2CC2)no1	609046261	AUSALUJXNDXUNC-HXUWFJFHSA-N	417.469	5.130	30	20	HKED	
CC(C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609103901	HPTRLDWBEXSVID-UHFFFAOYSA-N	420.509	6.029	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	609319204	QVMQMHZCYGWRKD-UHFFFAOYSA-N	416.481	5.638	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N(C)C	609435350	IQHJJCXUCUJRNV-DNVCBOLYSA-N	416.978	5.159	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3cc(-c4ccccc4)no3)cc2)cc1	609515633	PPYCDLMCVXHFTP-UHFFFAOYSA-N	409.445	5.130	30	20	HKED	
C[C@H](S[C@H](C)c1ccc(C#N)cc1)c1nc(O)c2c(-c3ccco3)csc2n1	609825142	IKZBDSHSFIHBBB-OLZOCXBDSA-N	407.520	6.084	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2ccccc2C#N)c1	609909416	HGMYEODJLQLZDJ-JPYJTQIMSA-N	414.480	5.295	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C	610199315	PIVPXWRWXOKZMC-QHCPKHFHSA-N	400.478	5.324	30	20	HKED	
C[C@H](NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cccc(C#N)c1	610324733	HTQQZRGZHDNDKQ-AWEZNQCLSA-N	400.413	5.388	30	20	HKED	
C[C@H](NC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)c1cccc(C#N)c1	610326622	IITUGWPSOJMTGU-NSHDSACASA-N	413.852	5.749	30	20	HKED	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	610331086	RBSRHBUWJKXAOZ-FXAWDEMLSA-N	417.431	5.209	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1	612894882	WHLRGYSYXOAQGR-INIZCTEOSA-N	402.397	5.507	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCOCC(F)(F)C(F)(F)F	622334213	BQEJJRXVXWRLAF-UHFFFAOYSA-N	421.328	5.047	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	622566032	BWWKRKOXIHHROU-QFYYESIMSA-N	407.329	5.285	30	20	HKED	
COc1ccc(C[C@H](C)CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	681112649	WLEMVNLJIYZIJL-IACUBPJLSA-N	415.393	5.512	30	20	HKED	
Cc1nc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)sc1SCC#N	725718264	HXHOTJMDQAHOAF-UHFFFAOYSA-N	416.959	5.380	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	727234210	ZEJKLWDQXUKAPO-UKRRQHHQSA-N	416.424	5.473	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	727629169	SMSADNZPHJQRAC-AWEZNQCLSA-N	424.831	5.657	30	20	HKED	
CCCCc1noc([C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1	728062992	YZWJGKWXUSRBCV-OAHLLOKOSA-N	410.905	5.689	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)c(Cl)nc1Cl	728817385	KZIROZJUQUROBL-UHFFFAOYSA-N	416.239	5.752	30	20	HKED	
N#C[C@H](NC(=O)/C=C/Sc1ccccc1)c1ccc(OCc2ccccc2)cc1	729369666	JWWDUDDTDULYRP-TVXVBNPNSA-N	400.503	5.252	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)c2)c1	730071147	HQPMOZYDYLNLRQ-OAQYLSRUSA-N	412.514	5.603	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1	731040492	VRPPVXYHAARGIJ-RBUKOAKNSA-N	422.598	5.368	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3c(s2)CCCCCC3)ccc1OC	733228660	NBIGXWUZGITALA-GOSISDBHSA-N	412.555	5.027	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2SC)ccc1OC	733627858	HXBXKJKZOIXIAL-OAHLLOKOSA-N	419.934	5.073	30	20	HKED	
C[C@@H](OC(=O)c1cnn(C)c1C(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	733708911	DCBNCTIDRAFLRD-SSDOTTSWSA-N	416.268	5.313	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cc(C)c(Cl)cc1OC)c1ccc(C)cc1	739156492	YECUXHAVBUMZHV-AEFFLSMTSA-N	412.917	5.197	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)/C=C\c3csc(-c4ccccn4)n3)c2C)c1	741840892	BFIRLIFKFLYMAF-KTKRTIGZSA-N	400.507	5.212	30	20	HKED	
Cc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)ccc1-n1cncn1	742429304	LJDNJQPJFHASEX-ZHZULCJRSA-N	422.513	5.609	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(F)c1F)c1nc(-c2c(F)cccc2F)cs1	750402212	AKWDIJVRCGXIKO-LBPRGKRZSA-N	404.388	5.176	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Cl)ccc1Br)c1ccc2ccccc2n1	751154630	WHMFWOSQBXJXPM-INIZCTEOSA-N	413.702	5.460	30	20	HKED	
Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1=S	751934537	RNECXXDYKQECCM-WOJBJXKFSA-N	423.973	5.001	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NCc2ccc(OCC#N)cc2)cc1	752715402	KTEHJEVKAFWAGI-SFHVURJKSA-N	417.534	5.764	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(C=NOc3ccccc3C(F)(F)F)c21	754712902	WVDYHUHUFWAFGQ-UHFFFAOYSA-N	406.404	5.416	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc3ccc(C)cc3o2)cs1	754828111	CWOMOPYVEVOWQG-YFHOEESVSA-N	420.465	5.918	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(F)cc1OCC#N	760796242	SPSOTWJZDUUFPR-UHFFFAOYSA-N	401.850	5.066	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(C(=O)OC(C)(C)C)cc2)S1	764886613	JFVQATGVPYBQCC-QGOAFFKASA-N	408.523	5.150	30	20	HKED	
COc1ccc(C(=O)[C@@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)cc1Cl	769545442	XNNQVULAXRIXTQ-OAHLLOKOSA-N	424.884	5.035	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c(C)c1O	774840667	RBAOGFUCLUUNSG-UHFFFAOYSA-N	402.519	5.734	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2c(C(F)(F)F)ccnc2Cl)cc1	776917209	CURDMJBXFDFFEB-UHFFFAOYSA-N	412.795	5.016	30	20	HKED	
N#Cc1cc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)ccc1N1CCC(O)CC1	777115147	ODUQSTRAMCROIQ-JOCHJYFZSA-N	415.459	5.101	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(COC(=O)c2ccc(C3(C#N)CC3)cc2)on1	778138938	WOWDGZWEVXSRNP-UHFFFAOYSA-N	424.456	5.416	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CNc2ccccc2O[C@@H](C)C#N)cs1	779988513	HCSVXRVJZHGEHJ-INIZCTEOSA-N	406.511	5.039	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1cnc(-c2ccc(Br)cc2)s1	779993115	LVBXLAYJVKGFPO-ZDUSSCGKSA-N	414.328	5.476	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)cs1	787186828	OAMLMCVSZIDIFL-FMIVXFBMSA-N	422.554	5.292	30	20	HKED	
CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	794587832	QAEQXNAZLKOBQU-ZDUSSCGKSA-N	422.959	5.128	30	20	HKED	
C=CC[C@@H](OC(=O)c1cnn(C2CCOCC2)c1C)c1ccc(Cl)c(Cl)c1	797566779	TWGGIUXZFRCLDI-LJQANCHMSA-N	409.313	5.324	30	20	HKED	
N#Cc1cc(NC(=S)Nc2ccc(SC(F)F)cc2)ccc1OC(F)(F)F	799511731	SKSXHHSJMJISHG-UHFFFAOYSA-N	419.400	5.580	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1C#N	801640954	ZFHKMUMGSRFWBX-ZHPFXUNLSA-N	418.497	5.069	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)cc(OC)c1OCC(F)F	809156443	BOOVXRJDALNDFX-FPYGCLRLSA-N	414.404	5.103	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)OC(=O)Cc3cccc(OCC#N)c3)s2)cc1	810593221	TZVUIYBUXFOUEK-KRWDZBQOSA-N	406.507	5.176	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cc(C(F)(F)F)ccn1	813215393	XSUJKYKYZHEMJD-JFDDCEBESA-N	401.775	5.192	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)Cc2csc(-c3cccnc3)n2)cc1	818074671	XXHOBGHHUSBHMJ-UHFFFAOYSA-N	411.486	5.030	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)cc1	863949967	DSHGYUISNHCPLH-KMKOMSMNSA-N	423.822	5.318	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OC(F)F)c1	915359423	SVZBGFXZUMIUOC-AOMKIAJQSA-N	421.447	5.826	30	20	HKED	
C=CCOc1ccc(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1	915387566	RBVOWRPMDZGZEC-IBGZPJMESA-N	421.415	5.090	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1Cl	916056619	FWQYTKWAFBLRCU-IFMALSPDSA-N	416.864	5.236	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C/c3cc(Br)c(O)c(OC)c3)oc12	916130615	YVRMKNNQELQNSS-BQYQJAHWSA-N	417.255	5.204	30	20	HKED	
C[C@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)csc2C1	916927872	PTDIOIULKSUULD-GXFFZTMASA-N	407.322	5.141	30	20	HKED	
C[C@H]1CCN(C(=O)c2ccccc2OCC#N)c2cc(C(F)(F)F)ccc2S1	920003995	ZLQJCYFBEAEUPJ-ZDUSSCGKSA-N	406.429	5.139	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C	920105937	NWRDINIAVCGNLQ-MBSDFSHPSA-N	423.516	5.709	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1oc2c(C)ccc(C)c2c1C	920109027	MMHMWZBKMBGJMF-HNNXBMFYSA-N	424.884	5.290	30	20	HKED	
CC(C)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920142881	XBPSWXSYJSENBY-IIBYNOLFSA-N	415.518	5.449	30	20	HKED	
N#C[C@@H](COC(=O)c1csc(-c2ccc(Cl)cc2)n1)Cc1ccc(F)cc1	920879768	LLPIYFWCUYBIOD-AWEZNQCLSA-N	400.862	5.142	30	20	HKED	
COc1cccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1Cl	1459702963	YGDXHGXUAOWXKE-UHFFFAOYSA-N	418.884	5.009	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC(F)(F)C2)CC1	1823687700	LSJROAZBKUTGEW-UXHICEINSA-N	424.576	5.034	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1	1831376638	TWLUCRMAADJVCV-YADARESESA-N	408.586	5.010	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(C)cc1	10173347	QKXOWAGIJCVKGN-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1	56096838	IDRMAGLXCXMCIG-UHFFFAOYSA-N	415.456	5.187	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	58719596	WGAXDELPWUMPJV-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
C[C@@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1	61585038	KVWYYWMNSFAAQZ-YQPBSLOJSA-N	421.544	5.733	30	20	HKED	
CSc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	64477132	GKSGFYFDIAIGIF-UHFFFAOYSA-N	410.520	5.182	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)s2)cs1)c1ccc(F)cc1F	206338519	ODGFNUOBRHFMNJ-HYXAFXHYSA-N	424.881	5.717	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1	237632752	ADRLPALLIXXFIR-AWEZNQCLSA-N	410.930	5.204	30	20	HKED	
C=CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccc(Cl)s1	303398659	QITHDIFZZRINMY-OAHLLOKOSA-N	420.003	5.280	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)c1occc1COc1cccc(C#N)c1	304054168	PGHSXKDNYYXINA-UHFFFAOYSA-N	420.534	5.933	30	20	HKED	
Cc1cnc(-c2ccccc2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[nH]1	427183217	CDAXWAZVMZOKTM-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cnccc3-c3ccccc3)c2)cc1	428460524	KWUFHFGOZJXDDA-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C	430799990	NLDJGQPLBOVZDL-UHFFFAOYSA-N	414.292	6.204	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)c2cccc(SCC#N)c2)ccc1Br	431150229	KWHNRCQXUXHXJW-LJQANCHMSA-N	415.356	5.351	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	432841953	SIOXKVPYOJKIJD-UHFFFAOYSA-N	409.445	5.046	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1F	434012020	MOLIDSDPGKHOAU-UHFFFAOYSA-N	418.424	5.100	30	20	HKED	
CC(C)(C#N)CCCCS(=O)(=O)Cc1ccc(Oc2ccccc2F)c(F)c1	436096748	GSUGADDWKYUGDE-UHFFFAOYSA-N	407.482	5.392	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	437515652	GHFVGENVPNIFDW-BTYIYWSLSA-N	420.513	5.360	30	20	HKED	
COc1cccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	438671794	OIOWUQYHYAZEOP-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
CCCc1c(NC(=O)c2occc2-c2ccc(F)cc2)cnn1-c1cccc(C#N)c1	440105602	YKWMVBITRGJKOD-UHFFFAOYSA-N	414.440	5.348	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)N[C@H](CCC#N)c1ccccc1	440254777	LSNHLLJSWBJWNO-JOCHJYFZSA-N	419.550	5.514	30	20	HKED	
C=CCC(CC=C)C(=O)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1	440891966	GIJWSXGPCNLVCF-UHFFFAOYSA-N	408.727	5.127	30	20	HKED	
C=CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1	441545735	SGSCYIXRINNADS-MJGOQNOKSA-N	424.507	5.114	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1	443941697	WRHIASIUTMKMPD-JKSUJKDBSA-N	415.946	5.277	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCC(=O)c2csc3ccccc23)cc1	446189118	OMZYCODYFPROPH-UHFFFAOYSA-N	406.507	5.210	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(Cl)s4)cn3)on2)c1	448514442	XCQJDQHNCQOKBP-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
CSc1nnc(CCCNc2ccc(C(F)(F)F)cc2C#N)n1C1CCCC1	467719373	AFVJWWHCJYKIIV-UHFFFAOYSA-N	409.481	5.050	30	20	HKED	
COC(=O)c1nc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C#N)cc2)sc1C	470996916	SIBDOEVGIIMDNO-NRFANRHFSA-N	417.534	5.114	30	20	HKED	
Cc1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(C(F)(F)F)o1	472375094	KMXJEQRDLQWRCZ-NSHDSACASA-N	419.243	5.659	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1c1ccncc1	476211353	ODDFJTLJHNWAEF-JOCHJYFZSA-N	401.441	5.108	30	20	HKED	
COCC[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(C)o1	477495196	BNMOMTMTHQRJHG-NRFANRHFSA-N	405.454	5.151	30	20	HKED	
Cc1sc([C@H](C)NC(=O)CCc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	479205267	MYVVOWSXOPOULV-AWEZNQCLSA-N	409.942	5.454	30	20	HKED	
CCOC(=O)Cc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	479613912	KDCSBAIBVMZOTH-UHFFFAOYSA-N	416.502	5.067	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1	480463919	AWIPGLURSOUYHX-KRWDZBQOSA-N	406.935	5.179	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2ccn(CCOC)c2c1	481079355	IFVABIGGSUYVLB-UHFFFAOYSA-N	403.935	5.223	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1ccccc1Br	482506612	IXYGSFXUNOOEKI-TZIWHRDSSA-N	411.343	5.070	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1Br	485202736	BGSKMHYQABUIOQ-UHFFFAOYSA-N	406.711	5.417	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCCc1cccc(F)c1	486102899	OSYUZSZFHGGWDW-MRXNPFEDSA-N	402.560	5.524	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCC[C@@H](C)C1	488106550	SYTQUXZPXTXTAP-QRVBRYPASA-N	415.603	5.227	30	20	HKED	
C=C(C)Cn1c(S[C@H](CC)C(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1	489436292	FGPHYRLPLNSQNN-GOSISDBHSA-N	412.946	5.323	30	20	HKED	
CCSc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)ccn1	494532989	ORTUJYVDYQRAAM-UHFFFAOYSA-N	405.548	5.146	30	20	HKED	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	496518550	BRBSMONCXBIBGJ-INIZCTEOSA-N	420.559	5.303	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2sccc2C#N)ccc1Cl	497979595	DLMXNTXATMXVRF-UHFFFAOYSA-N	423.925	5.188	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCC23CCOCC3)cc1Cl	502175422	VURPSFZPNKOWQB-RBBKRZOGSA-N	423.944	5.466	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nc2cc(Cl)ccc2s1	503428854	MGTBNSRLAXJGLH-SFHVURJKSA-N	419.893	5.414	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F)c1ccc(Cl)c(Cl)c1	505982182	QARDVFWYVJZXTC-ZENOOKHLSA-N	411.235	5.079	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(SCCOC)cc1	509506344	IBZSDTCYMWOWIQ-QGZVFWFLSA-N	402.535	5.023	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1	513677084	QGASYVUUQNOSDT-AWEZNQCLSA-N	414.303	5.397	30	20	HKED	
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1C	514428128	AZEWYHGXBJCHLA-UHFFFAOYSA-N	403.507	5.469	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)c1cccc(Cl)c1Cl	518709052	HRXZEMAIIDDRIN-OAHLLOKOSA-N	423.097	5.232	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)c2)cc1	522303289	XWUSIBWTHYMANG-JOCHJYFZSA-N	416.908	5.420	30	20	HKED	
CCOC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	523422238	IDBSZNZJEBQPTI-UHFFFAOYSA-N	415.449	5.100	30	20	HKED	
Cc1ccnc2sc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c(C)c12	524386129	KRLVSCKIRDFLTN-UHFFFAOYSA-N	413.502	5.616	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3OC(F)F)cc2F)c1	524456702	HUSILABFQBDPOX-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F	527043620	ZGHKUJUWWNQRAW-OAHLLOKOSA-N	401.432	5.461	30	20	HKED	
N#Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)ccc1Cl	530511866	LSETXYQICMCRHX-HXUWFJFHSA-N	408.864	5.108	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(-c3ccsc3)no2)cc1	533029661	RAZKJBNMNWZVHV-UHFFFAOYSA-N	404.470	5.011	30	20	HKED	
C=CCC[C@H](NCc1csc(-c2ccccn2)n1)c1ccc(C(F)(F)F)cc1	533391833	XXKWBTFOAZOJTQ-SFHVURJKSA-N	403.473	6.021	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4ccccn4)c3C)n2)cc1	533640022	HHELJVUHFJFUDM-OAQYLSRUSA-N	409.514	5.979	30	20	HKED	
CCN(C(=O)c1ccc(CC#N)cc1)[C@@H](c1cccnc1)c1csc2ccccc12	536261038	YRRJPZBXGAVZFQ-DEOSSOPVSA-N	411.530	5.614	30	20	HKED	
CSc1cccc([C@@H](NCCCC2(C#N)CCOCC2)c2cc(F)ccc2F)c1	538609973	IZVXDDRCVSEXRU-JOCHJYFZSA-N	416.537	5.466	30	20	HKED	
Cc1cc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)nn1CCC#N	540819302	PHZNVSDRRXDAIF-QGZVFWFLSA-N	407.440	5.033	30	20	HKED	
COc1cc(CN[C@H](c2cccs2)C2CC2)ccc1OCc1cccc(C#N)c1	541581396	FVVKDJXYMNURED-DEOSSOPVSA-N	404.535	5.448	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542994664	QDWFKTBJHUHLFH-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1C	543861341	JLMWXSSOWXCDDT-VQTJNVASSA-N	422.532	6.304	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(-c2cccc(Cl)c2)o1	552906847	CNXZTQWZWPEYRC-UHFFFAOYSA-N	418.787	5.378	30	20	HKED	
C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1OCCc2sccc21	553858374	YPABWRZYEAQESJ-NYHFZMIOSA-N	420.559	5.203	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NCC1(C#N)CC1	555749805	VEYHIDCWGYJGLP-UHFFFAOYSA-N	405.477	5.157	30	20	HKED	
C=CCC[C@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1	558723421	DOYJJNLYHPWFDF-AVRDEDQJSA-N	416.487	5.465	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2SCc2cccs2)nc2ccccc12	573956199	GMOSFEOSSKZHKI-UHFFFAOYSA-N	401.516	5.713	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ncsc3Br)c2C#N)C1	577374266	SVQNTXWNPXTIAQ-SECBINFHSA-N	424.389	5.242	30	20	HKED	
O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1c(F)cc(C(F)(F)F)cc1F	581855858	QNFVEDOWYLWZKX-UHFFFAOYSA-N	416.243	5.349	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)sc2ccc(C#N)cc12	590069125	AEZRIOKBMRYQLS-UHFFFAOYSA-N	410.458	5.393	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccco2)s1)c1nc2cc(C(F)(F)F)ccc2s1	590995266	QVPFYBYRURIIFR-JTQLQIEISA-N	419.409	5.522	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)c1ccc(Cl)cc1	594569221	QLQPNRKNSGLJMF-UHFFFAOYSA-N	412.820	5.186	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc2ccsc2c1	607815148	KJZAGKDGSOZOMW-UHFFFAOYSA-N	405.292	5.026	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](c3ccccc3)CC2)c1	608967676	HIFZUQBXMZDDLP-NRFANRHFSA-N	400.478	5.140	30	20	HKED	
CCc1c(C)sc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1C#N	609033086	PTZMTYGNVABUGC-UHFFFAOYSA-N	401.944	5.449	30	20	HKED	
COc1ccc(C)cc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609078733	LFLMLABMNPATLD-UHFFFAOYSA-N	415.493	5.084	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)c2)cc1	609208664	DCKLLGONDNBLSF-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc2c3c(cccc13)CC2	609376646	HDBXAFXLPJJQOH-MRXNPFEDSA-N	418.587	5.921	30	20	HKED	
Cc1cccc2sc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c(Cl)c12	609377378	UYMXYMNKFXZEOT-GFCCVEGCSA-N	400.956	6.367	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609427389	LFGXXAPZADRWCB-HNNXBMFYSA-N	419.462	5.378	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12	609430297	LFKUPBSGOPXLKH-AWEZNQCLSA-N	420.538	5.870	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	609716946	UIIMXPFNHRIZQR-LJAQVGFWSA-N	424.591	5.417	30	20	HKED	
C=CCCCN(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	609909064	MOSAKNKQUCZTMR-OBGWFSINSA-N	421.522	5.560	30	20	HKED	
Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	610016699	MSEDAIJJSRXCEA-KRWDZBQOSA-N	419.550	5.454	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3OCC3CC3)cc2)cc1	610123473	BLUBARDEJBVTCH-UHFFFAOYSA-N	416.452	5.725	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1	611357614	OXRDEIQBJFZIBI-OALUTQOASA-N	405.498	5.021	30	20	HKED	
COc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)ccc1C(F)(F)F	619199857	IDSPCLVHJOGREL-UHFFFAOYSA-N	400.404	5.103	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]	619658783	MNWHPENAMKTHMB-LJQANCHMSA-N	415.474	5.035	30	20	HKED	
N#C[C@@H](C(=O)c1csc([C@H]2CCCO2)n1)c1nc2cc(C(F)(F)F)ccc2s1	677377106	GVFOLTXZBNXZJE-GXFFZTMASA-N	423.441	5.113	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(Cc2ccc(F)cc2)CC1	682079025	CZOGAHPGBNBUAA-NHAGDIPZSA-N	411.361	5.174	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	685545150	JAOKOMXIUAFSGE-GOSISDBHSA-N	400.313	5.174	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)cc1Cl	726626596	ILMOUKMKWPORPS-VIZOYTHASA-N	422.865	5.219	30	20	HKED	
CCc1oc2ccccc2c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O	730544219	PAVJLUOKSBSRPI-UHFFFAOYSA-N	413.502	5.624	30	20	HKED	
COc1cc(/C=C/C(=O)c2sccc2C)cc(Br)c1OC(F)F	733749183	HELFILZAAUAZLZ-ONEGZZNKSA-N	403.244	5.325	30	20	HKED	
Cc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	734965516	MAZLJULHJZSGFW-XJKSGUPXSA-N	402.441	5.994	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	738894450	FFFVFHYMVFAARF-VAPDBKPJSA-N	409.533	6.060	30	20	HKED	
COc1cc(C(=O)/C=C/c2cc(Cl)ccc2Br)cc(OC)c1OC	742429046	FKAWFEKPLBYSBD-QPJJXVBHSA-N	411.679	5.024	30	20	HKED	
O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccc(N2CCCCC2)c(F)c1	743056445	GTMNWJJJGLHYPY-WDZFZDKYSA-N	403.457	5.294	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	743096326	QFPSIVXIGBBMPY-AYCKEJKLSA-N	413.496	6.096	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc1	744027897	DVBFALWUHOWVOC-SZEUEKNRSA-N	400.400	5.019	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1	744030112	ZRYKSGLCLPYCBC-KBXCAEBGSA-N	402.416	5.109	30	20	HKED	
Cc1ccc(F)c(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	745723983	IFZMITAMAYLXMW-UHFFFAOYSA-N	407.489	5.857	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2cc(C#N)cs2)C(=O)c2ccccc2)c(Cl)c1	748440623	PBIXLOLFTVYISH-ODLFYWEKSA-N	420.921	5.795	30	20	HKED	
Cc1noc(C(F)(F)F)c1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	750492836	NEAZJHQBOCBMKM-UHFFFAOYSA-N	414.383	5.059	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C#N	752237790	GKGFQJYKXPJASY-AWEZNQCLSA-N	423.498	5.165	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1	752484228	GFYYNWMZXOKFJB-BJKOFHAPSA-N	415.468	5.166	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(F)c(F)c2F)cc1	752485701	PWVYONLFJKEQEX-IBGZPJMESA-N	409.411	5.124	30	20	HKED	
COc1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1NC(=O)OC(C)(C)C	753121537	DRRMHYFENVARRI-UHFFFAOYSA-N	419.428	5.127	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccccc2F)cc(Br)c1OC(F)F	757472868	ATBHQLSOVWLQQE-SREVYHEPSA-N	401.178	5.094	30	20	HKED	
C#CC[C@@H](NC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl)c1ccccc1	757779960	ZAXLRQZVVGSRCZ-WOJBJXKFSA-N	412.965	5.112	30	20	HKED	
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	758617227	DKBJVLJPHBOIAJ-IIBYNOLFSA-N	419.456	5.123	30	20	HKED	
CC(C)Oc1ccc(-c2noc(Cc3ccc(OCC#N)cc3)n2)c(C(F)(F)F)c1	761934123	SVQPJLWBKQZIPZ-UHFFFAOYSA-N	417.387	5.036	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc([N+](=O)[O-])c1	763945369	RJXHURMVBSVISS-YGRLFVJLSA-N	419.384	5.203	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	766523577	UZUAKCJXMSIDKW-UHFFFAOYSA-N	401.360	5.030	30	20	HKED	
COc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1OCc1ccccc1	767966756	YRGCSOMOEHXYJK-UHFFFAOYSA-N	424.500	5.075	30	20	HKED	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(O[C@H](C)C#N)cc1	768181517	PSEMCGBOVPYKAH-OAHLLOKOSA-N	420.340	5.135	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)nc1Br	775683290	OWVSWQSOGSGAMB-UHFFFAOYSA-N	400.729	5.088	30	20	HKED	
N#CCc1ccccc1CC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1	776738867	IGGRLRHKBCLEOF-UHFFFAOYSA-N	417.921	5.923	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	780468494	LYYLSUQZHXCDHF-INIZCTEOSA-N	403.438	5.422	30	20	HKED	
CC(C)Oc1ccc(Br)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780602606	KJBVEKXKQPOWRN-CYBMUJFWSA-N	418.291	5.171	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2csc(Cl)c2)cs1	787187242	ZLISFXJRGZXBAL-QPJJXVBHSA-N	406.891	5.578	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1sc(-c2ccc(C)cc2)nc1C	788031223	WEPVASXJTWSSAF-UHFFFAOYSA-N	406.540	5.177	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C/c1cnc(-c3ccc(Br)cc3)s1)C2=O	788355273	GRKFHWDDJJOHEZ-NVNXTCNLSA-N	422.307	5.052	30	20	HKED	
C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(Br)cc1C(F)(F)F	790674292	YNGWYAQTZLOXFF-LBPRGKRZSA-N	413.237	5.221	30	20	HKED	
N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nccc2ccccc12	792100336	DLSZAJZEVPYFFG-YDPRHXJPSA-N	417.553	5.056	30	20	HKED	
CC(C)(C)c1nc(C#N)c(NN=Cc2ccc(Br)cc2C(F)(F)F)o1	794501980	JKANLXQPTDRQBC-UHFFFAOYSA-N	415.213	5.071	30	20	HKED	
N#CC[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	796636111	WDEFZDWPMBZTNO-HKUYNNGSSA-N	405.910	5.727	30	20	HKED	
CC(C)O[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	796757348	WOTFAALLNHITPU-DNVCBOLYSA-N	418.440	5.658	30	20	HKED	
CC(=O)N(c1nc(COC(=O)CCCCCC#N)cs1)c1c(C)cc(C)cc1C	805698102	RZFDPEGQEVUVCB-UHFFFAOYSA-N	413.543	5.270	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)CCCCC3=O)cc1	810533857	XRSZPHHQFSHREE-AOMKIAJQSA-N	402.494	5.070	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1	812966633	UIMMEGFOTUBIPU-GOSISDBHSA-N	420.557	5.341	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cc(Cl)sc1Cl)c1cc(C(F)(F)F)ccn1	813216873	HDMXENQJBICXBU-LLVKDONJSA-N	407.244	5.668	30	20	HKED	
COc1cccc(Cc2cnc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)s2)c1	814310739	YZPCTBIPDAOVPS-NRFANRHFSA-N	420.538	5.299	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1	915087725	WVTHXSHULYVVLL-IBGZPJMESA-N	411.288	5.666	30	20	HKED	
CCCOc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1	916283876	YCPNQBCZSMUIAF-UHFFFAOYSA-N	403.507	5.104	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)nc2ccccc21	916626955	ILSYIQRMMBMNCD-KRWDZBQOSA-N	424.529	5.443	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc(Cl)cc3)n2)cc1	916628025	IPQPQPCYFOTPOK-SFHVURJKSA-N	412.967	6.131	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1	916882465	FSRONBSQUHGCRO-INIZCTEOSA-N	411.914	5.010	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Sc3ccccc3Cl)n2)cc1	916976752	GNKGSACEFYRZRN-GDBMZVCRSA-N	412.967	6.129	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046823	RBTHIAAQRPVLAS-XHDPSFHLSA-N	402.928	5.315	30	20	HKED	
CCO[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	920324721	SYDDFOQUQYZNCG-KDOFPFPSSA-N	404.413	5.269	30	20	HKED	
Cc1cc(C)cc(OCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	920807022	VYTRFDMFQICXGJ-MRXNPFEDSA-N	412.461	5.351	30	20	HKED	
C[C@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1	1790083013	WNKCUEZRAHEZRE-NPMXOYFQSA-N	421.928	5.005	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Cl)CCC2)cc1	1791584658	UOKLAMLBUGDSRS-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
Cc1cccc(C)c1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1cccc(O)c1	11153235	XWYIULSEMFKTHE-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	17342047	VXPLJKJNECHNGN-UHFFFAOYSA-N	420.494	5.505	30	20	HKED	
C=CCn1c(SCc2csc(-c3cccs3)n2)nnc1-c1ccc(F)cc1	18773117	AXFWOZLBVVZKME-UHFFFAOYSA-N	414.556	5.748	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1	25839134	ZIUHBPKQIJYBPF-UHFFFAOYSA-N	404.539	5.021	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1	41517888	HRPKGCKHNANZAT-HNNXBMFYSA-N	403.385	5.148	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccnc1Oc1cccc(F)c1	45998596	XTCDEZUNZMCIFE-UHFFFAOYSA-N	418.472	5.006	30	20	HKED	
CC(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN(C)CC#N)c1=S	110197006	LPUPLJBFOMNEEK-UHFFFAOYSA-N	411.962	5.260	30	20	HKED	
O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc(I)cc1	214015476	PZHPDGACILYYLN-WAYWQWQTSA-N	423.300	5.372	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(C(C)(C)C)cs1	237599513	IKBXSMLAHOGSLN-KRWDZBQOSA-N	405.567	5.742	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2snc(Cl)c2C#N)C3)cc1	301186722	VLOHPGJHXQIWJM-UHFFFAOYSA-N	423.929	5.183	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	303644130	IGOAXAQGAGXMNT-RBUKOAKNSA-N	404.416	5.679	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nnc(C(F)(F)F)s2)c1	303692192	VOKURUDMXDWQQV-UHFFFAOYSA-N	424.791	5.127	30	20	HKED	
CCc1nc(C)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1	425937261	LTJHWBVEIZKISH-SFHVURJKSA-N	408.889	5.176	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)s1	429013116	UNCPOAWMZZRISZ-UHFFFAOYSA-N	400.916	5.029	30	20	HKED	
CN(Cc1cc(F)cc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	434150058	IUCBOMKGGSTAGD-UHFFFAOYSA-N	421.447	5.274	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C	438224265	PAXGYSZDOITPEK-UGKGYDQZSA-N	404.514	5.037	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1	442079927	BHMHZXRXRGWKMS-HNNXBMFYSA-N	419.481	5.128	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1	444668060	VFHHVECLXUBUEF-OAQYLSRUSA-N	409.917	5.074	30	20	HKED	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	444892235	ADOJSVYOBWTRHF-UHFFFAOYSA-N	403.486	5.035	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	447390043	CTJZKUPSRWSEDZ-OAHLLOKOSA-N	405.548	5.209	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)oc2ccc(Br)cc12	464400300	HECGKNVCGYUMEW-CYBMUJFWSA-N	423.188	5.408	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)C[C@H]1c1ccccc1F	464738899	PIYUQJLAXWJGJV-LZJOCLMNSA-N	411.546	5.099	30	20	HKED	
CC[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1nc(C(F)(F)F)cs1	466692603	CLBIRAURCLITOA-OWCLPIDISA-N	422.476	5.094	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	466833463	GDAAQAXTYWUHRB-CYBMUJFWSA-N	403.891	5.021	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1F	468648087	NKDJFLKICOELDL-LADGPHEKSA-N	410.464	5.008	30	20	HKED	
CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	469690445	LCGTXWHDSJJKIB-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H]1c1cccc(F)c1	472311884	BBUWYWGUMSKRBV-DGGJZMOXSA-N	411.546	5.099	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	474438518	KBQXOQJISCLBMB-INIZCTEOSA-N	412.946	5.272	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1	475563052	PKXLEADKUPHUOB-RBBKRZOGSA-N	416.924	5.983	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1ccccc1	476692875	CTEKVCXPCGGRGT-UZLBHIALSA-N	415.306	5.339	30	20	HKED	
C=C(C)[C@@H](NCc1cnc2c(C)cc(Br)cn12)c1ccc(F)c(F)c1	479407562	FYASMZUUFNVYPX-GOSISDBHSA-N	406.274	5.090	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	480355642	KERHRGZGAKUPPD-UHFFFAOYSA-N	405.951	5.150	30	20	HKED	
N#C[C@H](NC(=O)CSc1nccc2ccccc12)c1ccc(Cl)c(Cl)c1	482152987	TYORYZGQBYJZRU-KRWDZBQOSA-N	402.306	5.015	30	20	HKED	
CC1(C)CC(=O)c2sc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)nc2C1	483043644	SDJZZFGSKFOLFE-UHFFFAOYSA-N	417.490	5.214	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1ccccc1CN(C)Cc1ccco1	485488950	ICWKTSQPXMKNPJ-UHFFFAOYSA-N	406.551	5.120	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1	485930670	HCSXEKVJUNJTSS-UHFFFAOYSA-N	423.831	5.029	30	20	HKED	
Cc1nc(NC(=O)c2sc(C3CC3)nc2-c2ccccc2)sc1SCC#N	486030110	PXPCXCYPZKIBFX-UHFFFAOYSA-N	412.565	5.320	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1nc(-c2cc(F)c(F)c(F)c2)no1	486441360	ZOIPKROHAPJSEA-NSHDSACASA-N	404.417	5.018	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1	489055038	QTYJKKLVVWDKKY-FQEVSTJZSA-N	406.551	5.072	30	20	HKED	
N#C[C@H](Sc1nnc(COc2ccccc2)n1Cc1ccco1)C1CCCCC1	489659273	URVIDTKZSMUYKV-FQEVSTJZSA-N	408.527	5.063	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](c2ccccc2C)C(C)C)cc1	490737945	YLXVWOAZUGTVCH-DEOSSOPVSA-N	419.569	5.670	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)c2)c1	491976541	IIAMRHTZDFFMRB-YADHBBJMSA-N	415.880	5.206	30	20	HKED	
CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494237715	MNYOHERTYHSXCB-DVECYGJZSA-N	405.542	5.764	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCCSc3ccccc32)c1	502719854	YRLXQVFMXWXQRN-UHFFFAOYSA-N	400.503	5.280	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1	505010104	BNACWKQUBUFUPU-JOCHJYFZSA-N	416.525	6.004	30	20	HKED	
N#C[C@@H](C(=O)Nc1nc2c(s1)CCCC2)c1nc(-c2ccc(Cl)cc2)cs1	505449416	OJQWXJIJCRPOBG-ZDUSSCGKSA-N	414.943	5.045	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	508274877	DOCRTWKIQZVCLK-MRXNPFEDSA-N	417.465	5.250	30	20	HKED	
Cc1cccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)c1	508372224	XGHJDUIDGICXSS-INIZCTEOSA-N	407.930	5.432	30	20	HKED	
CCCOc1cc(C)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	511143586	HTMZCPBPFCDQTH-UHFFFAOYSA-N	402.519	6.059	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1C[C@H]1c1cccc(F)c1F	511706492	ZHLGWFUFKQFAIE-HEHGZKQESA-N	421.312	5.090	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NCc1ccccc1Cl	513200141	GPTJCJHPCRGEDZ-MRXNPFEDSA-N	405.885	5.121	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	513779996	OQNWUSFGQPAFMI-CQSZACIVSA-N	423.900	5.528	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3cccc(COCc4ccccc4)c3)CC2)cc1	514089398	PPRVBKXCGSGBSH-UHFFFAOYSA-N	411.549	5.034	30	20	HKED	
Cc1cc(C)cc(C2(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC2)c1	515449556	SZOUTHNPLJSYKS-UHFFFAOYSA-N	409.489	5.098	30	20	HKED	
CC(C)(C)[C@@H]1CCc2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2C1	516769301	DZXLTXYTYNQLMZ-SJORKVTESA-N	421.591	5.908	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)CCC2	518392270	GNVUOUPTLLJGNJ-QFIPXVFZSA-N	417.534	5.460	30	20	HKED	
N#Cc1ccccc1OC1CCC(NCc2ccccc2OCc2ccncc2)CC1	518449806	QTANDFNAHGIBLF-UHFFFAOYSA-N	413.521	5.012	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1ccc2ccccc2c1	518758896	MAWMIKHYINUNGC-MSOLQXFVSA-N	403.551	5.523	30	20	HKED	
N#C[C@H](NC(=O)C1CC(c2cccc(F)c2)C1)c1ccc(OCc2ccccc2)cc1	520535755	VETDLSRUWCDCGR-OWWUNANSSA-N	414.480	5.279	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1	520939442	WPYHROIBWSILSE-CQSZACIVSA-N	423.460	5.643	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	521387383	KHOKUZRMUZTTLW-INIZCTEOSA-N	416.456	5.027	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)c3c(C)noc3n2)c(C)s1	522649180	YUKPAINWEAQXIY-IPQOISQHSA-N	408.527	5.079	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	524707276	HJRUZMUMHYHKHS-QFIPXVFZSA-N	416.908	5.906	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)c2C#N)C1	525518979	GRRJCZZBTFBTGG-HNNXBMFYSA-N	423.582	5.115	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c(F)c1	525628587	JVTXMIWMSPFKNL-KRWDZBQOSA-N	409.313	5.460	30	20	HKED	
N#C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	530637837	RLIPOHMFGMLRTP-JKSUJKDBSA-N	416.321	5.002	30	20	HKED	
CCOc1ccc(-n2c(COc3ccccc3)nnc2SCCC(C)(C)C#N)cc1	532273533	LLWNHHZQKFPGMX-UHFFFAOYSA-N	422.554	5.277	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccc(Cl)cc1	532927398	FMUIPRPSLXRCIJ-MRXNPFEDSA-N	401.963	5.195	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(C4(C#N)CC4)cc3)c2)c1	538533232	RENYRJSVNHYRJJ-UHFFFAOYSA-N	424.504	5.124	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)o1	539174892	QAXQUQSTMJREDH-UHFFFAOYSA-N	410.495	5.350	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc2ccccc12	539242518	CDRLBIRZWXGGPA-MSOLQXFVSA-N	403.551	5.381	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543944629	RNZDTDCIVQAXJV-HXUWFJFHSA-N	412.537	5.346	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(C(C)C)nc1C	549011582	ACEQVAOTPGCNKA-UHFFFAOYSA-N	412.534	5.301	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)c2c(C#N)cnc3c(Cl)cc(C)cc23)cs1	549256978	SKBPAVRCJIEVJD-CYBMUJFWSA-N	400.935	5.259	30	20	HKED	
C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Cl)c(Cl)c1	552693283	DBLFWQBSWHHAMO-CYBMUJFWSA-N	421.299	5.178	30	20	HKED	
CC(C)(CCC#N)CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	557506279	QVLKUEHORZGSHH-UHFFFAOYSA-N	404.341	5.665	30	20	HKED	
C=CCC(C)(C)c1noc(C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)n1	560022527	YLQXSUBCCZYALL-UHFFFAOYSA-N	419.525	5.105	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1Cl	563786350	NBLYVNSECCJBJK-IFMALSPDSA-N	405.929	5.792	30	20	HKED	
N#CCC1CCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2ccccc2)CC1	566925402	AFPOLEQRJRVLHM-UHFFFAOYSA-N	421.548	5.200	30	20	HKED	
Cc1c(C(=O)N(CCC#N)Cc2ccco2)sc2ccc(Br)cc12	572063077	FKGMKHHHZSMKAC-UHFFFAOYSA-N	403.301	5.121	30	20	HKED	
CCO[C@H](c1noc(CSCC(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F	579526379	SNXGDQAMDHILBV-LBPRGKRZSA-N	418.334	5.149	30	20	HKED	
CC(C)(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)cc(C#N)c1	586075744	XNRMVOQUCHVFPI-STQMWFEESA-N	424.360	5.001	30	20	HKED	
N#Cc1csc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)n1	589544899	GKSQYRWOLMMVCZ-INIZCTEOSA-N	401.278	5.093	30	20	HKED	
C=C(C)COc1cccc(N[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1	589633142	IWPVJUTZZMRONC-XMMPIXPASA-N	402.494	5.442	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2NC(=O)c2cccs2)sc2ccc(C#N)cc12	590206411	VNNJPMPFEVEHIG-UHFFFAOYSA-N	417.515	5.648	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccc2ccccc2n1	592975843	VEKBMYDPFHXWIR-HNNXBMFYSA-N	407.260	5.217	30	20	HKED	
COc1ccc(N(CC(C)C)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1	603958069	FAVRRYOQOOQUPI-UHFFFAOYSA-N	404.466	5.042	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1Cl	604140915	RLBRDIYCVRXFAH-NRFANRHFSA-N	423.944	5.021	30	20	HKED	
COc1ccc(OC)c(Nc2nc(-c3cn(CCC#N)c4ccccc34)cs2)c1	608981296	NZZVGRWTBWKIHS-UHFFFAOYSA-N	404.495	5.439	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(Cl)c1	609018843	UPPGGBFPIHHWHW-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cccc1OCC(F)(F)F	609049583	NVSFVHHFYCVKQV-UHFFFAOYSA-N	419.447	5.498	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)n1	609177054	FSBKGDGMVUICMV-UHFFFAOYSA-N	422.488	5.334	30	20	HKED	
Cc1c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)sc2nc(C(F)(F)F)ccc12	609358786	YVDKQCULFGPBAY-UHFFFAOYSA-N	406.433	5.304	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)s1	609414111	KQNOYQQENUKEMO-ZDUSSCGKSA-N	422.362	5.410	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	609437063	NONKCSWXUKPZER-GOSISDBHSA-N	406.555	5.643	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(Br)c1	609988921	PCYOWFQLHZNENH-UHFFFAOYSA-N	422.282	5.325	30	20	HKED	
Cc1c(Br)cccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610290590	GREQGPAFCHGKPQ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCC#N)CC(F)(F)F	610415924	UDTKLNFBFBMESX-UHFFFAOYSA-N	421.366	5.056	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1	611376274	LLQXYZFTWUODAK-HUUCEWRRSA-N	421.488	5.246	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5n4C(F)F)cc3c2C1	613401542	DAVUVLVUPFXHJO-CXAGYDPISA-N	418.447	5.528	30	20	HKED	
N#C[C@@]1(NC(=O)c2sc3cccc(Cl)c3c2Cl)CCc2ccccc2C1	613681828	BFHSWOIJNWNQLQ-HXUWFJFHSA-N	401.318	5.389	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOCC3(CCCC3)C2)cc1Cl	614138994	XJTAZELWRWRPAV-NRFANRHFSA-N	423.944	5.420	30	20	HKED	
O=C(c1ccc(OC(F)F)c(F)c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	622584726	IONWFYHJSYDZBI-SFHVURJKSA-N	421.312	5.157	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1	626586807	ODYMSIMAAVVSNY-UHFFFAOYSA-N	412.902	5.023	30	20	HKED	
CC(C)(C)C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F	679305872	JEEOARMOAFPEMQ-BBBLOLIVSA-N	416.328	5.126	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	726185054	HFHXFNFECIGJDM-UHFFFAOYSA-N	421.541	5.219	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3coc(-c4cccs4)n3)n2)cc1	730070944	CRDRSVAWFPFPHQ-MRXNPFEDSA-N	405.504	5.254	30	20	HKED	
N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc2cc(F)ccc2s1	730422859	XQJBGSZROKBYOY-OAHLLOKOSA-N	404.919	5.838	30	20	HKED	
N#Cc1ccsc1C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1	731993904	KXTHHGMMYUREFH-LBPRGKRZSA-N	404.207	5.233	30	20	HKED	
C=CCCO[C@@H](C)C(=O)O[C@H](c1c(F)cncc1Br)C1CCCCC1	732524165	QIWORMVAZVNBAN-UGSOOPFHSA-N	414.315	5.129	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)o1	732764230	NHURLCXUXLFSIP-KBXCAEBGSA-N	410.543	5.042	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1	733030630	GWPVPPSKLZGMAK-ZJSXRUAMSA-N	417.459	5.989	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C12CC3CC(CC(C3)C1)C2	733079914	MKJLDQNRXGNPJQ-UHFFFAOYSA-N	415.463	5.562	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)CC2CCC(c3ccccc3)CC2)ccc1OC	733228765	PKIVSOUEAOIEFJ-HXJXPZHGSA-N	420.553	5.356	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCc1cc(Cl)ccc1OCC#N	735345380	UWYHCVXYQCLHAD-NSHDSACASA-N	414.672	5.060	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(-c4nccs4)c3)c2)s1	740444252	OIYBZXQMZVOPSA-UHFFFAOYSA-N	416.531	5.732	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1ccccc1F	743094870	DJRDDPFBHXCOGE-UTKZUKDTSA-N	403.457	5.070	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744062255	HRIJKWMKKVGEOP-WFASDCNBSA-N	401.413	5.204	30	20	HKED	
COc1cccc(COc2cccc(Cl)c2C=NNc2oc(C(C)C)nc2C#N)c1	745613255	BRUVKFWWYXALMQ-UHFFFAOYSA-N	424.888	5.357	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2cc(Cl)ccc2Cl)cs1	751895765	TUBPZPVJMIPZDP-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](O)c1c(F)cccc1Cl	752680341	WFZOJCRMAXJPLA-NQCMUKECSA-N	421.925	5.117	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)c1nc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)no1	762287709	GXEOOKOQDJVGBC-OAHLLOKOSA-N	420.469	5.019	30	20	HKED	
CCOCCC1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCCC1	763474710	CZQPKEPSRVSOPI-KRWDZBQOSA-N	402.947	5.627	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(OCc3ccccn3)cc2)cc1	765140328	SGWKIXPNSFBHGV-IBGZPJMESA-N	408.929	5.643	30	20	HKED	
CC(C)CCOc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777113808	FLGGUZWWNFDFEM-LJQANCHMSA-N	407.558	5.117	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(COC(=O)/C=C\c2ccccc2C#N)on1	778094097	FJZSOXZZACYRBF-QBFSEMIESA-N	410.429	5.132	30	20	HKED	
C[C@@H](N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(OCC#N)cc1	779093939	SQTDYESQUUZPLQ-OPAMFIHVSA-N	407.514	5.274	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccccc1Br)c1nccc2ccccc12	792094559	FWOFUYPHGQTKAF-MRXNPFEDSA-N	411.324	5.356	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@H](C#N)c1cnc2ccccc2n1)c1ccccc1	792100394	NFAQILKZCNDOPL-LSSXRZCCSA-N	405.457	5.055	30	20	HKED	
C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	796639577	PDXJOXORSNZVRA-UHFFFAOYSA-N	403.551	5.080	30	20	HKED	
N#C[C@H](C(=O)/C=C/Sc1cc(F)ccc1F)c1nc2ccccc2n1C(F)F	797943522	SAMWNPSCPVXQFB-ABZNLYFFSA-N	405.376	5.192	30	20	HKED	
CC(C)n1ncc2c(C(=O)OC[C@H]3CC[C@@H](C#N)CC3)cc(-c3cccs3)nc21	809085710	KCIXTJKIIRWODB-IYBDPMFKSA-N	408.527	5.227	30	20	HKED	
N#C[C@@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1cc(C(F)(F)F)ccn1	813213947	RCUDVLTZVWIFTK-BRVCPTFNSA-N	416.399	5.718	30	20	HKED	
C#Cc1cccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1	819392442	BNFZRNZSFMERRC-UHFFFAOYSA-N	401.516	5.070	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)SC2=Nc3ccccc3CS2)c1	857759117	XCGJMQLPDJIGRY-QGZVFWFLSA-N	409.580	5.606	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cs2)o1	915087032	ZLULAFKLRUXOOF-NRFANRHFSA-N	413.502	5.548	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1	915350285	PUOKQPBEFRCKQH-CLJLJLNGSA-N	424.548	5.128	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(Oc2ccccc2)c1	916936330	HQIGNIDOOKSOCG-SFHVURJKSA-N	408.816	5.233	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917043109	GWIJTFCLOLVFCD-SFHVURJKSA-N	420.925	5.171	30	20	HKED	
Cc1cc(Cl)ccc1OCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917043799	OPMMVQJKLYRLBE-ZDUSSCGKSA-N	424.831	5.532	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2OCC)oc1=S	917457596	MDQQOPGFOQEZLZ-UHFFFAOYSA-N	408.527	5.013	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccccc1Oc1ccccc1	917573892	ABIDTEACYXJKQF-UHFFFAOYSA-N	401.535	5.960	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3cc(C)ccc3C)n2)cc1	920144043	WSHNJVOYPZIMGB-HXUWFJFHSA-N	418.518	5.275	30	20	HKED	
CC(=O)N(c1nc(/C=C2\Cc3cc(C)ccc3C2=O)cs1)c1ccc(F)cc1F	921269445	LLFZKTZTCIWDJM-OQLLNIDSSA-N	410.445	5.237	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CCC1	1790301640	KKWSIEZTKFYBFU-QHCPKHFHSA-N	418.537	5.211	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1	1791593352	NIZRTTZPSJPXMU-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1	1820978053	FABRSARJZMUXDP-XLIONFOSSA-N	414.594	5.221	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)CC1	1826316733	LHUVZFPMYNUOKH-OYDLWJJNSA-N	410.602	5.012	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)CC1	1830020467	JJHHGMDDHQSLKE-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2cccc(C)c2)cc1	22693934	PFZAZJLPHGXLKP-UHFFFAOYSA-O	419.570	5.349	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccco3)n2)nnc1-c1ccc(Cl)cc1	25352714	OTAPWCUSVYJEIS-UHFFFAOYSA-N	414.943	5.793	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1	63403439	XWZRKARXFVGRJR-UHFFFAOYSA-N	417.459	5.324	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cc(C)c(OCc3ccccn3)c(C)c2)cc1	237645069	MRZSIBGUMBDGEX-UHFFFAOYSA-N	416.525	5.197	30	20	HKED	
Cc1c(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)sc2ccc(C#N)cc12	426413172	VWHZOISWWROVRN-UHFFFAOYSA-N	417.490	5.356	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	428888242	QSQICOOXJUILML-UHFFFAOYSA-N	422.382	5.189	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(C(F)(F)F)cc1	429353753	AVIBPPQNSBUVOQ-BBRMVZONSA-N	424.467	5.454	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)sc2ccc(C#N)cc12	431893008	AILUYQGFZDSTIY-UHFFFAOYSA-N	418.503	5.043	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1OCCc2sccc21	431999595	QMNBJXWEGVIAGF-WAIKUNEKSA-N	418.518	5.087	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1	432911653	JNDNKJAMRWTZFB-HSZRJFAPSA-N	418.541	5.259	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1cnc2ccccc2n1	433209919	TYNOGWCAVGEDGX-OAQYLSRUSA-N	402.457	5.123	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1	436366880	KLBHHAUUBBBUCT-UHFFFAOYSA-N	420.415	5.167	30	20	HKED	
Cc1cc(O)c(C(C)C)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	436854108	MKDSXWDIAIIMDQ-UHFFFAOYSA-N	414.505	5.721	30	20	HKED	
CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	437887997	GNDOOLMFPFJPQQ-HTAPYJJXSA-N	404.514	5.243	30	20	HKED	
CC(=O)N(c1nc(CN2CCCC(C)(C)[C@H]2C#N)cs1)c1c(C)cc(C)cc1C	444726925	CWWSBBXGUMDHEH-HXUWFJFHSA-N	410.587	5.267	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c(OC(F)F)c1	444798903	GZVLSZOGSQPNCI-HNNXBMFYSA-N	408.729	5.345	30	20	HKED	
Cc1ccc(NC(=O)Cc2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)c(C)c1	445350354	HAJUMBQUWKZMJH-UHFFFAOYSA-N	424.460	5.199	30	20	HKED	
COc1ccc(NC(=O)c2ccc(NCc3cccc(OCCCC#N)c3)cc2)cc1	446899558	SKBNMYYDWAHIKO-UHFFFAOYSA-N	415.493	5.242	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCC3(CCOCC3)C2)c1	461003125	DSKKRBZAKHTJKE-UHFFFAOYSA-N	410.901	5.037	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	464881068	QFNYVZNZXLWIJA-JOCHJYFZSA-N	420.484	5.209	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCOCc1ccccc1	465161878	BFTXNZJXVWVVLS-UHFFFAOYSA-N	415.493	5.340	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1	465659103	LUOHJQHMQCPNDU-OALUTQOASA-N	413.521	5.697	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C	467578214	NCOXACXCZYNZQY-KBPBESRZSA-N	401.482	5.368	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1	468174603	SHQYDAQHIGTQDB-UHFFFAOYSA-N	415.902	5.165	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	475572954	QPCZVSHQCDDPMN-XUZZJYLKSA-N	419.613	6.055	30	20	HKED	
CCCc1ccc(-c2nc(NC(=O)c3cc(C#N)c(SC)nc3O)sc2C)cc1	476771046	YZKPONLFQVHZJM-UHFFFAOYSA-N	424.551	5.018	30	20	HKED	
C=C(C)[C@@H](NC(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1)c1ccc(F)c(F)c1	476878978	KNZVWAZAWZEZBX-YCRPNKLZSA-N	415.484	5.066	30	20	HKED	
CC(C)c1csc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	478203026	FLKMFUKGVXHZSA-SFHVURJKSA-N	424.957	5.897	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)c1cc(Cl)ccc1C#N	479573162	GWCKUPIAEGBFGG-UHFFFAOYSA-N	408.335	5.635	30	20	HKED	
N#Cc1c(Oc2ccc(NC(=O)c3ccco3)cc2)nc2c(c1C#N)CCCCCC2	479851831	ZRBRLKTZINGUAQ-UHFFFAOYSA-N	412.449	5.122	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1	480401686	GEZDCFSZXCYNSC-OAHLLOKOSA-N	407.495	5.173	30	20	HKED	
COCCC1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCCCC1	482467273	FMHYICVZFLDJMS-UHFFFAOYSA-N	422.594	5.567	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)sc21	483200533	OPCHRGDNLKPWQI-HXUWFJFHSA-N	422.513	5.742	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483222585	UHQXHFLJHRYUJA-SFHVURJKSA-N	403.894	5.810	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	483977989	KAEDLBIXQRJJIF-KRWDZBQOSA-N	401.853	5.596	30	20	HKED	
CC(C)c1c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cnn1-c1ccccc1Cl	485156975	KIQKRJIHKJVYRI-OAHLLOKOSA-N	407.905	5.403	30	20	HKED	
CCc1sc(-c2nnc(CSc3nc(C(F)(F)F)ccc3C#N)o2)cc1C	488794976	KZQRDUVAKITFMQ-UHFFFAOYSA-N	410.446	5.247	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2ccc(C#N)cc2F)cs1	489115656	YFHQGWHFDDSFQW-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc(F)cc2cccnc12	489686238	CFEVGNCHHHISSB-UHFFFAOYSA-N	406.486	5.023	30	20	HKED	
Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	491496509	VOLCKARDRIJZQM-VGSWGCGISA-N	423.582	5.041	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCOC2(CCCCC2)C1	493897281	MXZWCQOUOWIPEX-IBGZPJMESA-N	406.551	5.321	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2ccccc2N2CCCCCC2)cc(OC)c1OC	497742128	JNFFSVIPGSHMLC-UHFFFAOYSA-N	423.557	5.134	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1	499491269	NWWYNXRIFOFMSC-CQSZACIVSA-N	403.429	5.005	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)n1	501329035	NJSBFIGUVMLBFF-GOSISDBHSA-N	420.925	5.301	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)nn1-c1cccc(C#N)c1	502568074	GTOPRUVAVGGGHS-UHFFFAOYSA-N	419.444	5.113	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)o2)c(C)c1	503878091	UAAVSUPKOUAUEM-UHFFFAOYSA-N	412.489	5.277	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1F	505928755	TWCJZTZXUJECDC-SFHVURJKSA-N	422.287	5.112	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)cc2F)c1	510844512	HYZINDWLWUPNFB-JKSUJKDBSA-N	406.379	5.193	30	20	HKED	
Cc1cccc(OCCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	510872791	ROKVSCBLLVPJHD-UHFFFAOYSA-N	415.493	5.510	30	20	HKED	
N#Cc1ccc(CN2CCC(Nc3cccc(CSC4CCOCC4)c3)CC2)cc1	512838056	LSXQIIBKYQWJQX-UHFFFAOYSA-N	421.610	5.047	30	20	HKED	
C=CCN(C(=O)c1cc2ccccc2c(OCCC)n1)c1nc2c(s1)CCCC2	513489442	ASOJLQYSHQWHGY-UHFFFAOYSA-N	407.539	5.192	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c2cnn(C(C)C)c2n1	515448855	AWGVPCHJAUSCMW-UHFFFAOYSA-N	407.543	5.165	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	517440288	LCDPHPJTGRNXIR-UHFFFAOYSA-N	418.362	5.982	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc(F)c(F)cc3N3CCCCC3)CC2)cc1	520667554	LCGREMXZTYBVPG-UHFFFAOYSA-N	422.479	5.148	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1	521746327	FXJVJKQJCJNXCG-SFHVURJKSA-N	401.535	5.849	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCN2CCCCC2)cc1	521842164	NJVRHRMNEQBZEV-UHFFFAOYSA-N	418.585	5.277	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)cc1	522532176	DLFRFANPGNHLLY-RXVVDRJESA-N	420.484	5.415	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc2ccccc2o1	524120841	XQUCSRBFXWVZBX-UHFFFAOYSA-N	411.461	5.158	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	524127193	HNQKCSYGXVMULL-PKOBYXMFSA-N	410.930	5.725	30	20	HKED	
CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)c1ccc(C#N)cn1	524506591	LEIOXNJFIQDSRA-UHFFFAOYSA-N	413.521	5.120	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1	525235735	RUWHDOZMUPSADB-CQSZACIVSA-N	405.420	5.145	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(CCC)[C@H](c1cccnc1)c1ccc(F)cc1F)OCC	533761999	DQDIRCRIIBQMKD-FYYLOGMGSA-N	402.485	5.059	30	20	HKED	
O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1	538728424	UEDAUOJSVPYZHK-UHFFFAOYSA-N	419.340	5.357	30	20	HKED	
C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1	539508286	LJIQWTTYDKYOSQ-QZTJIDSGSA-N	415.503	5.323	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1	542902016	MDKNRUOXNHOZCQ-UHFFFAOYSA-N	403.404	5.655	30	20	HKED	
C=CCCO[C@@H](C)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	545613812	JMRFRXWJQYCDDB-SFHVURJKSA-N	417.509	5.180	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1oc3ccccc3c1CSc1cccs1)CC2	555771935	KSZQHTXRMFMTQP-UHFFFAOYSA-N	416.527	5.861	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1cc(Cl)cc(F)c1Br	555855862	BUWKOYYSBAOCKF-UHFFFAOYSA-N	410.674	5.187	30	20	HKED	
CC1(C(=O)N2Cc3ccccc3C(C)(C)C2)CCN(c2ccc(Cl)cc2C#N)CC1	561225930	NJSJCJCFQIIZEL-UHFFFAOYSA-N	421.972	5.138	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Br)c2)cc1	564170307	NGQSOSGURGNWPG-LJQANCHMSA-N	419.344	5.007	30	20	HKED	
CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	565274263	CDMRRPFLYBGYSV-MRXNPFEDSA-N	402.454	5.027	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccsc1	575839533	MGDVEWRPLGLTLU-HBMCJLEFSA-N	406.555	5.112	30	20	HKED	
COc1cc(CNCc2ccc(C#N)cc2C(F)(F)F)ccc1OC1CCCC1	577105727	DVFLRWWVOZHHGU-UHFFFAOYSA-N	404.432	5.197	30	20	HKED	
Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C2)cc1	580968022	VHYLMDZRLOQIGN-JOCHJYFZSA-N	414.505	5.134	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)s1	584440131	DOQYNQMNDJNWFL-UHFFFAOYSA-N	421.522	5.036	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(C(F)F)cc1	588842891	BXQLDVUBBWKSGF-UHFFFAOYSA-N	414.433	5.397	30	20	HKED	
N#CCCCCCc1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1	589131791	IWIGALJBIXLBRC-UHFFFAOYSA-N	402.376	5.569	30	20	HKED	
CCn1c(C)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C	609073003	QSFUTSHLGBYIGK-UHFFFAOYSA-N	407.901	5.481	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12	609377325	SJNAALHTANMFEU-CQSZACIVSA-N	420.538	5.728	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(OCC(F)F)c3)cc2)c1	609433699	CZTRSHZTJQDENF-UHFFFAOYSA-N	423.419	5.316	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	609435043	MSSJGULVKDEMGU-CABCVRRESA-N	421.488	6.325	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1Cl	609639246	TWPSUUBLDXVNIF-FXAWDEMLSA-N	419.916	5.130	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3OC(F)(F)F)c2)c1	609641248	FTFTZYPHVNIFII-UHFFFAOYSA-N	412.367	5.288	30	20	HKED	
COc1cccc([C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c1	610355039	FUKXGUPTDNYPLI-MWTRTKDXSA-N	419.912	5.370	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1	610664079	NTOIXENGCPNHKG-CABCVRRESA-N	401.432	5.573	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl	610792616	CIMMVPMXDIJAEL-KSSFIOAISA-N	403.935	5.243	30	20	HKED	
N#CCc1ccnc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1	610793747	BCCOLPOVRPKYEE-UHFFFAOYSA-N	416.431	5.145	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2C(F)(F)F)c1	613292440	JTTCXOZIYBRBAU-KRWDZBQOSA-N	420.394	5.238	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)n2)cc1	613318033	HIPFUBXBBXDZSX-QGZVFWFLSA-N	402.454	5.138	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(Cc4ccccc4)c3C)n2)cc1	613318295	VONARJIGMVAPQD-HXUWFJFHSA-N	412.518	5.162	30	20	HKED	
COc1cccc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)oc12	613319566	HMVZYGDJELPACK-HNNXBMFYSA-N	408.866	5.708	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c2ccccc21	618180298	VJTOPKHAGRAIEE-GOSISDBHSA-N	412.493	5.106	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cc1	619463384	RWSQRDLBKDLLCU-QGZVFWFLSA-N	408.548	5.407	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc2c(F)cccc2c1	644650566	XDYUJPZVFNQNCH-ITGUQSILSA-N	408.317	5.013	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c(F)c2)cc1	674445855	VQAHNUDKQNFPLY-IYBDPMFKSA-N	419.340	5.614	30	20	HKED	
O=C(Nc1cccc(OCCF)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	675374226	GHKKFGGRFZPTAE-QWRGUYRKSA-N	416.337	5.066	30	20	HKED	
COc1cc(F)c([C@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC	675737863	KDCNCZZKJFPKRI-NNYUYHANSA-N	417.365	5.403	30	20	HKED	
CCO[C@H](c1noc(CCCC(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F	685402510	ZVMOPKIJBZWWAY-ZDUSSCGKSA-N	400.294	5.238	30	20	HKED	
CCN(C(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	728299317	QZBRXMHRTVHJQT-GOSISDBHSA-N	417.484	5.130	30	20	HKED	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)CSCc2ccc(C#N)cc2)cc1	729215238	JAXCKCMMNPZEDJ-UHFFFAOYSA-N	422.531	5.019	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	729320070	ULXZPMUHXFRBFX-HXUWFJFHSA-N	417.921	5.863	30	20	HKED	
C#CCOc1cccc(NC(=O)N2CCC(c3c[nH]c4c(CC)cccc34)CC2)c1	731113255	ZSBCFVDDFNIZQL-UHFFFAOYSA-N	401.510	5.154	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3sccc3SC(F)F)cc2)c1	731331954	XUYUIPGIJOHLMP-UHFFFAOYSA-N	402.447	5.979	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	732495636	DZONEKFNZCFYNS-PXAZEXFGSA-N	407.322	5.069	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)Nc3ccccc3SCCC#N)sc2c1	732644503	MBVRVEAZECBKQW-UHFFFAOYSA-N	414.983	6.936	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1	733802123	GICCWJDGJOAUOK-KUHUBIRLSA-N	418.324	5.161	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	735038719	DFDSSKHKIISORQ-UHFFFAOYSA-N	415.880	5.873	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)c1nc(Cc2ccccc2)no1	742705600	VKMXHYIEQMMKFI-LJQANCHMSA-N	424.504	5.593	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030365	FNPJHJYDOLEZRO-SWLSCSKDSA-N	407.272	5.049	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc(F)ccc2F)cs1)c1ccc(F)cc1F	746006725	RUCOHAOZIZVFPO-QPJJXVBHSA-N	420.387	5.280	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1	746126381	YRDFEELKHHBOGX-FTJBHMTQSA-N	409.533	5.335	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N[C@@H](CCC#N)c3ccccc3)ccc21	748593348	HVSYPXFIGLUMDI-FQEVSTJZSA-N	420.513	5.151	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)CCCCCCCC(=O)Nc1ccc(F)cc1C#N	751293843	HFQQKOCEINMIMC-UHFFFAOYSA-N	424.451	5.016	30	20	HKED	
Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(Cl)c(C#N)c3)cc2)cc1	754038093	SBJBAFFGBMILDP-UHFFFAOYSA-N	404.853	5.016	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)/C(C)=C/c2ccc(OC)c(F)c2)cc1	755605173	YNVBJXGKSFWKKC-YFVIASMNSA-N	408.473	5.099	30	20	HKED	
CCN(CC)[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1	755634368	HZOFANPCKCATHB-RBBKRZOGSA-N	419.550	5.078	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccnc(Cl)c1	757937138	NBIQKZHNYKUFCC-GORDUTHDSA-N	411.836	5.411	30	20	HKED	
C#CCCCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1cc(C)ccc1OC	759430829	VKXYRDNVUBVJNI-UHFFFAOYSA-N	401.462	5.118	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(SC)c(OC)c2)c(OCc2cccnc2)c1	766489495	DDHMGQSWWQUXJY-JXMROGBWSA-N	421.518	5.296	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccn4)n3)n2)cc1	768781054	JNPBCRFFQPDVEK-HNNXBMFYSA-N	402.504	5.127	30	20	HKED	
N#C[C@H](COC(=O)c1sc(-c2ccccc2)nc1C(F)F)Cc1cccs1	772737411	VGASGRZPWUNWIG-GFCCVEGCSA-N	404.463	5.348	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2c(-c3ccccc3)nn(C)c2Cl)cc1	775179278	MNSQJDMMESQNRC-UHFFFAOYSA-N	420.944	5.167	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)c3ccccc3n2)cc1	780306637	ZAZMDCHBORGQCD-JOCHJYFZSA-N	405.457	5.171	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2cccc3cnccc23)cc1)Nc1ccccc1	782888017	SBHHLWOXQUDPQV-KAMYIIQDSA-N	408.457	5.148	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C	789451528	XOWHWJYMXSFMEA-LJQANCHMSA-N	403.567	5.209	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc(OC)c1	794726940	FQNKKWKYZPNMPT-LLVKDONJSA-N	422.268	5.172	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c(OC)c1	800518996	IDRASWJAEMKMNK-OAQYLSRUSA-N	401.466	5.312	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2cccc(C(F)(F)F)n2)cc1	814576476	DGAPVNRNXZNHPH-HXUWFJFHSA-N	424.426	5.120	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCC[C@@H]4[C@@H]4CCOC4)c23)cc1	814761834	XKIOTHOGZYXEKQ-SJLPKXTDSA-N	422.554	5.362	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)O[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	815339969	IOAZMINEHQBBHN-LLVKDONJSA-N	402.237	5.142	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3snc(Cl)c3Cl)c2)c1	816870913	SVMJWYDTWHAKOK-UHFFFAOYSA-N	404.278	5.153	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2ccccc2Cl)on1	914838221	CLNJUDKBQPADGX-UHFFFAOYSA-N	403.221	5.138	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(OC(C)C)cc3)c(=O)c2c1-c1ccccc1	915944359	FTHUJOZWQIXMRN-UHFFFAOYSA-N	403.507	5.103	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2c(Cl)cccc2s1	916939012	NWLDRNSSYLGVEY-NSHDSACASA-N	407.253	5.308	30	20	HKED	
CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917026241	CTMSKBGCJSOITL-AUUYWEPGSA-N	421.547	5.126	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1	917043406	IJVPYTJBGKNTAY-CQSZACIVSA-N	403.290	5.442	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	917119387	BVDSZUHOPQWSDG-HSZRJFAPSA-N	412.493	5.124	30	20	HKED	
CC(C)CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1	1791255797	HBNYWVSESWXVKR-IBGZPJMESA-N	417.553	5.498	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1819553708	SLTXBEZVSVXRHR-FQEVSTJZSA-N	414.594	5.365	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1821923991	UNCCSRMGAIZKGE-LAUBAEHRSA-N	408.546	5.051	30	20	HKED	
COc1ccc([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	21473021	KNNNMOLBUNLMSX-OAQYLSRUSA-N	423.582	5.063	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2Cl)c1	22730369	WXAVFHSFWKPVLG-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n(C2CCCCC2)c1C	24932711	NHRLPOKUVBANCC-UHFFFAOYSA-N	402.951	5.261	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl	31676177	VKYZTSAQEGQESH-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
Cc1[nH]c2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2c1C	43701837	FEYJUKSTOVGXLB-UHFFFAOYSA-N	419.535	5.053	30	20	HKED	
N#Cc1ccc(CNC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1	46875087	JXIQSBDYHFTQMX-QHCPKHFHSA-N	406.938	5.351	30	20	HKED	
C=C(C)COc1cc(CNCc2cccc(NC(=O)C3CCCCC3)c2)ccc1OC	60949542	LXMJECRPSAVTCP-UHFFFAOYSA-N	422.569	5.459	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1	63402717	MPZAJHJWMIRSBR-XMMPIXPASA-N	415.924	5.699	30	20	HKED	
COC(=O)c1c(CSc2cc(C#N)ccn2)nc2ccccc2c1-c1ccccc1	71918440	FZTGPZYQYMNZHY-UHFFFAOYSA-N	411.486	5.247	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1Cl	107879377	TVNYPVYOQUDZHZ-LJQANCHMSA-N	414.852	5.298	30	20	HKED	
C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNCc2cccc(OCCCC#N)c2)C1	237469413	MZMUJZUENFTHQN-FGZHOGPDSA-N	405.586	5.137	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(Nc3ccccc3)cc2)c(C#N)c(C)c1C	253479114	OSKNNZPKXWWUMA-UHFFFAOYSA-N	402.523	5.353	30	20	HKED	
Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	430415320	OTKZOIHOIFKKQR-UHFFFAOYSA-N	409.873	5.525	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21	431216138	LXBMVRTZZFRLHU-HTAPYJJXSA-N	405.567	6.155	30	20	HKED	
N#CCCC[C@@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1	431367748	DEZLGCIBRJZQNO-UKILVPOCSA-N	418.585	5.023	30	20	HKED	
Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	432763133	AIKSFYYOGNRDML-QFIPXVFZSA-N	408.571	5.105	30	20	HKED	
CN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc(C#N)cc1	439930350	XPAJOTXEHKYJBI-UHFFFAOYSA-N	412.424	5.055	30	20	HKED	
CN(C(=O)c1oc2ccccc2c1CSc1cccs1)c1ccc(C#N)cc1	440060699	IQTUBYCHSUKMPZ-UHFFFAOYSA-N	404.516	5.935	30	20	HKED	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	442527706	PZOGUXGODDPYMT-MRXNPFEDSA-N	417.896	5.037	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CC(F)(F)F)C(C)C	446163696	UMYCLOYJIGHIEQ-HXUWFJFHSA-N	419.447	5.544	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1Cl	447322807	BOPZNUFVQQKIGT-KGLIPLIRSA-N	422.381	5.534	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)cc1	460676328	IIGPDFDQBTVCGO-QFIPXVFZSA-N	413.521	5.349	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccco1)C(C)C	460949684	NJAWADLHRQTFRR-VXKWHMMOSA-N	406.530	5.107	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2cc[nH]c2n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	462009140	QBJCQAILRJOZDN-ZDUSSCGKSA-N	413.289	5.483	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(-c2ccccc2C)no1	466645363	RUVZYTBEUQLZHJ-QGZVFWFLSA-N	417.538	5.267	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCOCC1	470025808	ALGNMBMRYILOBF-UNMCSNQZSA-N	411.933	5.322	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F	470153548	TZTDLGWKJRYQQT-FDOIEUKUSA-N	406.729	5.065	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(-c2ccncc2)cc1	470510764	ZVERRAZYAZPASU-OWAUWMPXSA-N	410.521	5.291	30	20	HKED	
Cc1nc(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)oc1-c1ccc(Cl)cc1	473748735	WFECKGIGHWKECZ-UHFFFAOYSA-N	424.888	5.284	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1	475550147	VBFQTSVICSIFIM-OFNKIYASSA-N	405.586	5.571	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1	475557847	FKUUGGIVFWONJA-UHFFFAOYSA-N	421.585	5.287	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1	475569704	QEMBITSBYNJWDW-UHFFFAOYSA-N	408.542	5.262	30	20	HKED	
COc1ccc(CS[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1Cl	478611894	XJAZNPLMWBJLCX-AWEZNQCLSA-N	406.910	5.056	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N(C)c1ccccc1	479185547	CBYMFIVKEXQNAL-LJQANCHMSA-N	415.562	5.105	30	20	HKED	
COc1ccc(-c2ccncc2)cc1CNCc1ccc(-c2ccccc2C#N)cc1	479470659	ZVIFJHWMTYGQRU-UHFFFAOYSA-N	405.501	5.586	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482343173	GSQWYSJNHRDDCW-HNNXBMFYSA-N	408.317	5.290	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1F	483223881	BWADUMOMHLPPSD-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4ccsc4)CC3)cc2)c1	486493452	BQXYJFHJMAMDDG-UHFFFAOYSA-N	403.507	5.824	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)cc1	487661213	YNGVCFAENUNXKF-UHFFFAOYSA-N	400.331	5.761	30	20	HKED	
C=CC[C@@H](C(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1)c1ccccc1	487791674	ZCHYFXRMVCQOTJ-LJQANCHMSA-N	401.453	5.148	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	501619051	PIZICUMFMKTCAW-KKSFZXQISA-N	419.550	5.271	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1cccc(Cl)c1Cl	505308179	NNBCSBQEWQJLKM-OAHLLOKOSA-N	424.209	5.555	30	20	HKED	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	505347466	AABWDKTXHNLKPW-ZDUSSCGKSA-N	423.369	5.106	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1C(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	509125152	RBCJQVGRAMTNFL-QWRGUYRKSA-N	403.281	5.537	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)sc1SCC#N	510466207	YLSMFIVCMGCFGR-UHFFFAOYSA-N	416.915	5.160	30	20	HKED	
COCCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510858038	TYVSOOPTGSFDTI-UHFFFAOYSA-N	421.522	5.401	30	20	HKED	
CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCO1	513731709	ZHYIZEXMXMMMJP-UZUQRXQVSA-N	410.489	5.056	30	20	HKED	
CN(Cc1ccc2ccccc2c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	515217457	FMAAJCGNYFMKOB-UHFFFAOYSA-N	412.518	5.423	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOc1ccc(Cl)cc1	515654850	CYZSEIYGBGSHNW-UHFFFAOYSA-N	421.884	5.505	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1Cl	517461360	HBCRCBIVAKSMJM-UHFFFAOYSA-N	414.836	5.382	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	517473682	JIPOQGCBZYJPPZ-AVRDEDQJSA-N	423.582	6.096	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Cl)c2ccccc12	519413147	FCTVRUHYTQMEPW-HNNXBMFYSA-N	410.926	5.762	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCCc1cccc(C(F)(F)F)c1	519449826	LLUBKKYJZKUHIB-OAHLLOKOSA-N	421.488	5.711	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)oc1C	519913156	KGUYXGYYCWDBRY-UHFFFAOYSA-N	402.498	5.520	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	520477901	FRTWEVORJXLXAG-UHFFFAOYSA-N	410.477	5.665	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2)nc1	521091884	CAQSSFUXJMSHMK-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
CCOc1ccccc1CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	521811838	VZPVXPVPHJXVNI-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cn3)nc12	522679632	XILDLZHZAUHOLJ-UHFFFAOYSA-N	412.518	5.533	30	20	HKED	
C[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(NC(=O)C2CC2)cc1	523121593	IAZVHOWOQJLKNS-KRWDZBQOSA-N	424.504	5.141	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc(C)nc21	523379474	CKPUFZMVLRVLEG-GXTWGEPZSA-N	407.543	5.021	30	20	HKED	
COCCN(c1nc(C(F)(F)F)ccc1C#N)[C@H](C)c1cccc(C(F)(F)F)c1	523755320	MJKVOIDEUJOJEL-GFCCVEGCSA-N	417.353	5.205	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	524388704	UJIIGVXGAGPKHD-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
CN(Cc1ccccc1-c1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F	524435177	DUPFEFONVCBDMK-UHFFFAOYSA-N	407.420	5.491	30	20	HKED	
CC(C)Oc1cccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	524456227	YWNJBAFCDINCDK-UHFFFAOYSA-N	418.468	5.245	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)n1	524810130	OBPCXDTWJMZFRA-OAHLLOKOSA-N	408.433	5.353	30	20	HKED	
CC(C)(C#N)CCSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1	524987638	SJMIVSPJXMGGKO-UHFFFAOYSA-N	415.465	5.019	30	20	HKED	
CCC[C@H](CCc1ccccc1)NC(=O)c1occc1COc1cccc(C#N)c1	525037849	WNNAGQILPPIVMM-JOCHJYFZSA-N	402.494	5.262	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccccc1	538328228	LTRJBUSUBMCWFS-SFHVURJKSA-N	406.873	5.066	30	20	HKED	
Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(-c2ccccc2)n1	538980603	HGSDCLCGIAMKCI-QGZVFWFLSA-N	418.909	5.354	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)nc4c3cnn4C(C)C)n2)cc1	540778583	LBCDMTSVYOYMPG-SFHVURJKSA-N	415.522	5.243	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1Cl	548293818	WMSZPRUZJMXAKL-MRXNPFEDSA-N	405.281	5.065	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1	553117399	CADNEPJWFFCXKK-UHFFFAOYSA-N	407.480	5.365	30	20	HKED	
C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2ccsc2)C1	555270221	YXWZRUCLNMYXED-RTWAWAEBSA-N	408.571	5.036	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NCc3ccc(Br)cc3C#N)cc2)cs1	558096685	IVFXMOCABLIUIY-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1	558370141	FKIGYPFUNLQLDG-GJZGRUSLSA-N	421.488	5.710	30	20	HKED	
C=C(C)COc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1OC	562080880	GOPIUFCAONYWDY-UHFFFAOYSA-N	401.466	5.321	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C	564383939	DPFRAQJJDSJZBE-UQAQOTMJSA-N	414.553	5.092	30	20	HKED	
Fc1cccc(OC(F)(F)F)c1CNCc1ccc(COCC(F)(F)F)cc1	571660279	IPPFVCIJCVFHNL-UHFFFAOYSA-N	411.317	5.093	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3c(F)ccc(Br)c3F)c2C#N)C1	580399560	NOOCOOKODIHZSY-QMMMGPOBSA-N	411.271	5.038	30	20	HKED	
C[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1F	584247144	CKYWBMZCJIJEQU-QKKBWIMNSA-N	406.423	5.535	30	20	HKED	
C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	592825136	QNTOUJQIOZUXSA-GDBMZVCRSA-N	403.979	5.012	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3ccccc3)CC2)cc1	603238581	OOXZLMZHNYIFSS-UHFFFAOYSA-N	412.558	5.870	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C(/CC(=O)O)c3nc4ccccc4o3)c2)c1	603748492	XOZZQRLWPBXFCE-NDENLUEZSA-N	410.429	5.294	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2)cs1	604171577	UMNSCEJMDUZBMQ-WAIKUNEKSA-N	419.550	5.271	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Oc3cccnc3)s2)cc1	604523228	HEPZKAQFMJIFMT-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
CCCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](C)c1ccccc1OC	609080039	AHPMKIHKLXRLLZ-AWEZNQCLSA-N	403.429	5.173	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@H](C)c1ccccc1	609080410	WVGVALUHFFJJQR-HXUWFJFHSA-N	413.521	5.713	30	20	HKED	
CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609339460	URXXJJXRGMTDCR-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ncc(-c4ccccc4)o3)cc2)c1	609434235	HNRNSPBFRKMIQI-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(F)cc1C(F)(F)F	609435383	LEDFYLNYMWBTQD-GFCCVEGCSA-N	411.424	5.560	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(C)C)c(C)c2)cc1C	610203479	FTXPFKNAOKNXSZ-UHFFFAOYSA-N	416.525	5.429	30	20	HKED	
Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610436236	RZUGFTPLDHNKMY-OAHLLOKOSA-N	418.806	5.298	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F	612523754	DCRLRARCNSYHSD-UHFFFAOYSA-N	416.380	5.327	30	20	HKED	
N#C[C@H](C(=O)c1csc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1	613319246	AYRFOANFVMEEQJ-GFCCVEGCSA-N	423.744	5.778	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1	618742186	KVBWWEMFYFUCLG-QHCPKHFHSA-N	401.897	5.241	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnc2ncc(Br)cc2c1	682803905	ZCZNZSSUKWMGGL-UHFFFAOYSA-N	410.315	5.497	30	20	HKED	
CC[C@H](C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1)c1c(C)noc1C	726011834	VZUFHJCATIDDNL-QFIPXVFZSA-N	402.494	5.228	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)OCc3csc(-c4ccsc4)n3)o2)cc1	728110269	XUSCIKPEUXHMMK-UHFFFAOYSA-N	422.487	5.272	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730421968	OQVQQEUWDNOEGM-JOYOIKCWSA-N	409.269	5.386	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(OC(F)(F)F)cc2)ccc1OC	733324060	WFJLBNKZOWJTEE-RHSMWYFYSA-N	408.420	5.126	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1	733788053	GGCIFGHPDGJJHH-LJQANCHMSA-N	401.510	5.048	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(C(C)C)sc3c2)c1	733844930	YTFYMLVBKPWJKQ-KRWDZBQOSA-N	408.527	5.422	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1coc(-c2ccccc2)n1	739155764	VGRXTMCTWZZABS-IBGZPJMESA-N	423.428	5.095	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(C)cc1	739159902	OSDDQQZNFATNLO-UWJYYQICSA-N	404.535	5.887	30	20	HKED	
C/C(=C\C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)c1ccccc1C(F)(F)F	741948684	OYWFPAKIDCQHNH-WYMLVPIESA-N	424.426	5.422	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(C(C)C)cc1	749103409	XYPMRCYDDNVUII-UHFFFAOYSA-N	421.379	6.097	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2C)C(C)(C)C)ccc1OC	751099155	WBYPMFCZXNTKGL-AUSIDOKSSA-N	423.557	5.271	30	20	HKED	
CN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1cc(Cl)ccc1C#N	751892960	KPBACGFFRYAGBE-UHFFFAOYSA-N	409.487	5.497	30	20	HKED	
N#C[C@@H](C(=O)/C=C/SCc1ccco1)C(=O)Nc1ccccc1Oc1ccccc1	759833627	JQVFFFGJJOLQBT-XUDAUXSOSA-N	418.474	5.166	30	20	HKED	
Cn1ncc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)F	759863317	CEYUNYBAVDKCIN-NSCUHMNNSA-N	413.268	5.047	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1	763520693	KUIOJYLFRRTBSD-IXDOHACOSA-N	419.591	5.116	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)Oc3ccc(C#N)cc3)n2)cc1	766258503	FRWXOOFXIAGMJG-IBGZPJMESA-N	401.491	5.024	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccncc1	766685825	UNGTZLPVABLZJC-NRFANRHFSA-N	402.885	5.121	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1	766795454	SDFWUJOPRJZDJL-XYOKQWHBSA-N	414.248	5.062	30	20	HKED	
FC(F)(F)c1cc(NN=CC2CCC(C(F)(F)F)CC2)nc(-c2cccnc2)n1	767377881	JVRGUQUPNOASDT-UHFFFAOYSA-N	417.357	5.324	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1	769861393	ALKPGEPFVOANEB-IBGZPJMESA-N	414.814	6.267	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)cc1	770146487	PNEPHFVKCYTNPI-QFIPXVFZSA-N	424.422	5.464	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)c1	776142910	CIGFRCQIDZYOLA-GMAHTHKFSA-N	420.557	5.008	30	20	HKED	
Cn1cc(CNc2ccc(CC[C@@H](O)c3ccccc3)cc2)c(-c2ccc(C#N)cc2)n1	778103354	QLFOWTJVNKMLFQ-AREMUKBSSA-N	422.532	5.237	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNCc2ccc(O[C@H](C)C#N)cc2)on1	778123047	XZGABSMDZXDASC-QGZVFWFLSA-N	413.477	5.084	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)n1	780407332	VBUHDOPVYFIJFC-GOSISDBHSA-N	414.534	5.083	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)CCC2	781047043	FAAPFQQWEYIGNB-HSZRJFAPSA-N	414.509	5.130	30	20	HKED	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	783070805	XENGLCDHUZYTMC-BXUZGUMPSA-N	423.341	5.094	30	20	HKED	
CN(C(=O)/C=C/c1cncc(F)c1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783530847	CMIOPEAYYKQXGX-SQRWCISFSA-N	406.301	5.015	30	20	HKED	
C[C@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(SC(F)(F)F)cc1	791702661	LRKAGFDJHAILDE-GUYCJALGSA-N	404.413	5.157	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nccc2ccccc12	792091130	JLVLFGRTZOPFNF-DVECYGJZSA-N	406.485	5.469	30	20	HKED	
N#C[C@H](C(=O)NC1CC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	796633426	DEUZVKNJFYRZNP-LBPRGKRZSA-N	423.683	5.040	30	20	HKED	
N#CC1(CCCOC(=O)c2ccccc2SCc2cccs2)CCOCC1	800098102	AMPJEXSPOJHQBA-UHFFFAOYSA-N	401.553	5.298	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2cccc(Oc3ccc(Cl)cc3)n2)no1	809434343	ZUUMLKBQDKZZGK-UHFFFAOYSA-N	404.813	5.147	30	20	HKED	
Cn1cc(/C=C/C(=O)c2ccc(-c3ccccc3Br)s2)c(C(F)F)n1	812241586	KFXRFKSNFBDLLF-VOTSOKGWSA-N	423.282	5.745	30	20	HKED	
N#CC1(N(C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)C2CC2)CCC1	813216588	VCWZCQLIOAPIJP-UHFFFAOYSA-N	424.529	5.562	30	20	HKED	
N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1cc(C(F)(F)F)ccn1	813218222	MODRPZMYHCEUQL-SJWLEHQBSA-N	418.724	5.576	30	20	HKED	
COc1ccc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2c1	815908560	DWFAKUADGSELLF-QGZVFWFLSA-N	413.260	5.116	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(C(F)(F)F)c1	916309602	INQINRIKNGPIMW-UHFFFAOYSA-N	413.424	5.334	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1cccc(OCc2ccccc2)c1	916341631	HROIWDVBLCUYLU-UHFFFAOYSA-N	400.507	5.003	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(F)cc2)n1	916903246	MAHYVWDZDAEUAC-GOSISDBHSA-N	421.497	5.035	30	20	HKED	
Cc1ccc(-c2cc(NC(=O)c3ccccc3OCC#N)n(-c3ccccc3)n2)cc1	919991957	XLWDFSHPSXNGKM-UHFFFAOYSA-N	408.461	5.002	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccccn3)CCC2)cc1	1786104510	WWSPBDMYPDBLRT-LJQANCHMSA-N	417.553	5.088	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)CCC1	1789188660	BBUKILXQNDFCQA-BVYCBKJFSA-N	407.558	5.031	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2F)CC1	1823751243	NDDJEIPVZDGHJF-LJQANCHMSA-N	420.594	5.113	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1cccc(O)c1)c1cccc(Cl)c1	10831814	DMNCAOURSUWZIZ-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
C=CCN(C(=O)CCc1c(C)nc(SC)nc1C)c1nc(-c2ccccc2)cs1	26366988	UXCACKDBOMEWCP-UHFFFAOYSA-N	424.595	5.091	30	20	HKED	
CCN(C(=O)CSCc1coc(-c2ccccc2)n1)[C@H](C)c1ccc(C#N)cc1	44486288	VWNAGNASXOBEDY-QGZVFWFLSA-N	405.523	5.056	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	51156494	QZFXABRYLGKOET-KRWDZBQOSA-N	409.898	5.302	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1	56756836	RTYOJLHIRVRAKK-QFIPXVFZSA-N	407.489	5.009	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccc(CC)cc2)n1	62903775	YKSAJPRWUJSOQZ-UHFFFAOYSA-N	401.535	5.001	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)o2)cc1	97543279	XVGCGPRBHZMHNA-GOSISDBHSA-N	410.477	5.669	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-]	107648864	JUYUWMFJERHGIC-LJQANCHMSA-N	405.841	5.464	30	20	HKED	
C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc4c(c2)OCO4)CC3)CC1	208848173	NIRLJGMHQIONFP-XMHGGMMESA-N	424.500	5.243	30	20	HKED	
N#CCCC[C@H](c1ccccc1)N1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C1=O	432027984	SKTVAIAZJAZEFK-MSOLQXFVSA-N	402.281	5.021	30	20	HKED	
Cc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1NC(=O)C(C)(C)C	433140129	ZPUVHILUAZUMCY-FQEVSTJZSA-N	406.530	5.536	30	20	HKED	
O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)NC12CCC(C(F)(F)F)(CC1)CC2	433620560	YMOPIUAAODMLQA-IGEOTXOUSA-N	412.349	5.226	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1)c1ccccc1	435729871	FESSMMUQTLZIBR-OAQYLSRUSA-N	417.509	5.227	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccccc1	435761757	GUNKPPZYJFRKKO-HSZRJFAPSA-N	422.529	5.316	30	20	HKED	
COC[C@@H](C)Nc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	437589017	JJBYVUCQORIAMX-QGZVFWFLSA-N	401.466	5.050	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H](COCc1ccccc1)c1ccccc1)c1ccccc1	438862505	WYONJNBAUJXNOE-LOSJGSFVSA-N	413.521	5.289	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NCC(=O)Nc2ccc(CC#N)cc2)cc1	439545012	CPWAKNUVOXPKIF-GOSISDBHSA-N	401.535	5.657	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c2o1	443535959	WEASPXWOLKXNPW-ZDUSSCGKSA-N	403.301	5.574	30	20	HKED	
Cn1ccnc1Sc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12	444147041	QXCGOYUQPPUVAJ-UHFFFAOYSA-N	415.522	5.082	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	444263782	FTNKBOOEPJCTOD-UHFFFAOYSA-N	411.509	5.642	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1ccsc1)c1nc(-c2ccc(Cl)cc2)cs1	444456458	DODVXDXBXDOURK-CQSZACIVSA-N	410.911	5.405	30	20	HKED	
Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccccc1-c1ccccc1C#N	446984340	GQULTMOVAJTMSX-UHFFFAOYSA-N	414.415	5.156	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1csc(C)n1	460932399	NXGGWHAJKXSHGC-HXUWFJFHSA-N	404.543	5.109	30	20	HKED	
C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1Cc1cccs1	461308069	KVKJDWWRZXATLV-UHFFFAOYSA-N	414.600	5.091	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464410016	LQQAALXFUNYJCT-OAHLLOKOSA-N	423.416	5.391	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1	467152774	RTGZNEIJHXOWMH-QFIPXVFZSA-N	417.465	5.459	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@H](c3ccsc3)C2)c1	468366644	CYGPGLNKRRKHKL-NRFANRHFSA-N	424.909	5.279	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2c1	469151380	YRXLUHJWBJCLFC-UHFFFAOYSA-N	423.516	5.807	30	20	HKED	
COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	470592064	XECICEMHPPVRBX-UHFFFAOYSA-N	423.444	5.072	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(CSCc3ccccc3)c2)cc1	470956963	UTVOTYIUIUTVRC-QHCPKHFHSA-N	411.530	5.313	30	20	HKED	
CSc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(Cl)cc1Cl	471312087	XTDGYVGHYXGSFO-UHFFFAOYSA-N	421.349	5.271	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccccc2C(F)(F)F)nnc1-c1ccoc1C	473796124	BFJQAQGYJQQYMN-ZDUSSCGKSA-N	421.444	5.415	30	20	HKED	
O=C(Cc1cc(F)ccc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474273994	MMQLCBCESPVTJK-OAHLLOKOSA-N	411.292	5.336	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCOc1ccccc1Br	476107303	GGGSZYKYHYKDPB-UHFFFAOYSA-N	402.332	5.709	30	20	HKED	
Cc1sc(NC(=O)c2ccc(C(C)(C)C#N)cc2)nc1-c1c[nH]c2ncccc12	476527623	ZXGGAILLRBPFQZ-UHFFFAOYSA-N	401.495	5.048	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1Br	478737363	FPYKVMTYBNMLEL-UHFFFAOYSA-N	406.711	5.417	30	20	HKED	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	480388671	YZRPUFZWRJRJSC-DEOSSOPVSA-N	421.541	5.145	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccn1	481376421	QEWHGBVAPSCWJO-CYBMUJFWSA-N	424.917	5.083	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2o1	481991289	ROYRZORVVJICCT-HUUCEWRRSA-N	411.552	5.512	30	20	HKED	
CCS[C@H]1CCC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	482230486	RZUOXXAYLBTGPE-PMACEKPBSA-N	410.608	5.645	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)n2)cc1	484560784	SBCUTVIQSDXKRM-FQEVSTJZSA-N	411.486	5.168	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1	485465245	LFWQGGGKPDCVGL-UHFFFAOYSA-N	406.507	5.091	30	20	HKED	
N#CCCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	487515115	NWXUOJQVOVTYIC-FQEVSTJZSA-N	409.942	5.557	30	20	HKED	
Cc1ccc2ncc(C#N)c(OCC(=O)Nc3ccccc3Cc3ccccc3)c2c1	488267974	SZBHYCPDYDXYPP-UHFFFAOYSA-N	407.473	5.023	30	20	HKED	
C=CC[C@H](C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1	488718271	MLDBFQVLISPKDB-NRFANRHFSA-N	417.471	5.230	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C)cc1	489641797	FPIJSJCTPOOCGQ-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3csc(Cc4ccccc4)n3)o2)cc1	489814153	UDUPSZTULDHYOU-UHFFFAOYSA-N	421.547	5.641	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)on1	495431326	CCRBIMOFACIMFJ-OAHLLOKOSA-N	401.441	5.365	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Cc1ccc(Br)cc1	498276202	MCHTUDSRKCJWHQ-GJZGRUSLSA-N	417.372	5.518	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1	498721372	KUCJRISMQGKQQK-PKOBYXMFSA-N	418.006	5.010	30	20	HKED	
CCOC(=O)c1c(CNc2ccc(CC#N)cc2)nc2ccccc2c1-c1ccccc1	499741570	IELLXMCFYAUHPA-UHFFFAOYSA-N	421.500	5.757	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccc(OCCCC3(C#N)CCOCC3)cc2)cc1	499914269	SBQVPYJZMZWLEC-UHFFFAOYSA-N	420.553	5.716	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)ccc2OC)cc1OCC	500210814	JSXWFQQAOOVSDL-UHFFFAOYSA-N	402.878	5.050	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1	504343542	PNYBBFVUTZRZBY-UHFFFAOYSA-N	412.518	5.223	30	20	HKED	
Cc1cccc(C2(NCC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCC2)c1	506450970	ANKNJGPFBPOSOO-IBGZPJMESA-N	407.583	5.244	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	509722137	PFBMCZDVOLYXCZ-OAHLLOKOSA-N	412.942	6.000	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)c2)cc1	510027999	WDMFUFIXPBAQDB-NLFFAJNJSA-N	412.489	5.248	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc(OC)c1C(C)C	511594976	DIXOVQZTRPNTOF-OAHLLOKOSA-N	407.297	5.129	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1	512722242	CMVYNYMQTRGSCF-HHHXNRCGSA-N	400.931	5.045	30	20	HKED	
CC(C)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccs1	512730204	MOTFFOIFQBFZFT-UHFFFAOYSA-N	419.550	5.492	30	20	HKED	
COc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2ccccc12	512943290	NHSIRBZQZOMRHH-KRWDZBQOSA-N	419.893	5.510	30	20	HKED	
N#CCCCOc1cccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1	513196285	CEWREUQPOHMYJJ-UHFFFAOYSA-N	421.428	5.821	30	20	HKED	
CSc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1[N+](=O)[O-]	515449563	TYAMKOLGEIBCBH-UHFFFAOYSA-N	401.513	5.161	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1	516754718	YLJITNDSEGSDQI-CQSZACIVSA-N	421.419	5.169	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cnc(-c2ccccc2F)s1	516757689	HWNLURLNWCHGNA-UHFFFAOYSA-N	403.438	5.261	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	517474242	WZQMHEGJXIXMNO-FOIQADDNSA-N	401.963	6.111	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)oc12	521153130	PIMPBWCQFJYECV-GOSISDBHSA-N	419.525	5.632	30	20	HKED	
Cc1sc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c(C#N)c1C	521646789	MHGXQQKWEHTTEW-UHFFFAOYSA-N	420.519	5.317	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)C1	522645003	XHWDIHKZTMPEQK-SHACYNPGSA-N	418.472	5.109	30	20	HKED	
C[C@@H]1C[C@H]1[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(Cl)cc1	525695047	KEYRGOOKJUGNTH-CUHUQNRHSA-N	404.945	5.604	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	532687594	FYWVNSSQIOHDTA-VWLOTQADSA-N	413.452	5.135	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccccc1CCC(F)(F)F	534001389	LZYRSKQCPMLNAK-UHFFFAOYSA-N	409.301	5.514	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c(C)c2c1	534321956	KELRBUQXQGFRSF-UHFFFAOYSA-N	412.489	5.064	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2ccsc2C1	536332023	FDHCHUKVDGPKSQ-UHFFFAOYSA-N	403.507	5.097	30	20	HKED	
COc1ccc(CNc2cc(C)n(-c3cc(C)cc(C)c3)n2)cc1OCCCC#N	537415737	FIIGVRRRPHBZRA-UHFFFAOYSA-N	404.514	5.101	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)n1	541189323	XKVVVYVVNUANLK-MRXNPFEDSA-N	410.445	5.266	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(CNc4ccncn4)c3)cc2)c1	541729169	CHVYSFWROSRRGM-UHFFFAOYSA-N	421.460	5.005	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(-c3cccc(Cl)c3)n2)c1	551357606	KGSFCKOULZEOMO-UHFFFAOYSA-N	405.813	5.189	30	20	HKED	
C[C@@H](CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1	552075892	MRTZLOUVTCNQID-AWEZNQCLSA-N	404.407	5.058	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](CCC)c1ccccn1	555550392	QSKWPKOUEFFUQE-KRWDZBQOSA-N	405.311	5.082	30	20	HKED	
Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N)N(C)C	562878960	PDBIBPIBAORSLR-CDMIOBSGSA-N	410.587	5.060	30	20	HKED	
CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	567393032	QHFAWIPBKCVYGP-MSEWRSJXSA-N	401.432	5.066	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	579626156	IOYKKXYRHXNXKW-UHFFFAOYSA-N	424.492	5.830	30	20	HKED	
COc1cc(Oc2ccccc2)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	579638817	MBJAIIDDHWZXJA-UHFFFAOYSA-N	402.425	5.169	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	581779077	LMSJPVZKTWLIHZ-MRXNPFEDSA-N	418.312	5.069	30	20	HKED	
C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1F	584247143	CKYWBMZCJIJEQU-LHSJRXKWSA-N	406.423	5.535	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	591862276	MZWJOJBXKSGVRW-INIZCTEOSA-N	423.419	5.867	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(C)c1	604086951	UYVAJRKFQYMXDX-SFHVURJKSA-N	400.482	5.587	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc2cc(C(F)(F)F)ccc21	608553164	WJOQCYMTXRICHF-CYBMUJFWSA-N	417.387	5.436	30	20	HKED	
Cc1sc(NC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1ccccc1	608802249	GKKOMEJSHVUZET-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ncccc1OCCCC#N	608868720	UWBJNMNOOGJUKY-LBPRGKRZSA-N	410.326	5.190	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)CSc1cccc2cccc(Cl)c12	608868998	YZGRSYXVAQLBNN-UHFFFAOYSA-N	411.914	5.302	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1	609054478	QAISBGFMXUSSBY-UHFFFAOYSA-N	417.490	5.185	30	20	HKED	
CC(C)CN(CCc1ccccc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056705	RURUEIHZFGDHNI-UHFFFAOYSA-N	402.494	5.071	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C2CC2)o1	609057521	JMELAKIWMBBKCP-AOMKIAJQSA-N	416.477	5.251	30	20	HKED	
COc1ccc([C@@H](NCc2ccccc2C#N)c2ccccc2)cc1Br	609133164	MQJFVCGVPWCVTN-QFIPXVFZSA-N	407.311	5.209	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3cnc(-c4ccccc4Cl)s3)CC2)c1	609185913	YCLZTIQFDGNTKI-UHFFFAOYSA-N	423.925	5.019	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	609436842	HMFDETCAQNKVAP-QWFCFKBJSA-N	408.571	5.038	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccccc1C(F)(F)F	609438450	GOXHJJRSPFLLLW-ZIAGYGMSSA-N	407.461	5.982	30	20	HKED	
C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)Cc2ccccc2F)c1	609500766	VVBTYNLBGGPDOU-OAHLLOKOSA-N	407.876	5.705	30	20	HKED	
CCCN(C(=O)c1cccc(CC#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F	609522346	BWRJPVIPXBPZSH-HSZRJFAPSA-N	405.448	5.068	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609641672	CFIAWNUJEMTKCP-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)CCCCOc1cccc(C#N)c1)c1ccccc1	609652231	FGFMFDZAKCYWHY-FQEVSTJZSA-N	414.505	5.886	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)Cc3cc[nH]n3)cc2)cc1	609845064	ZHZGADUOUOIBEI-UHFFFAOYSA-N	423.476	5.308	30	20	HKED	
N#Cc1c[nH]c2c(F)ccc(F)c2c1=NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	610246146	GQVYMKIYOGEABO-NXEZZACHSA-N	423.307	5.128	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	610423648	JQVDHBRKFGFEKA-UHFFFAOYSA-N	403.772	5.490	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc(COCC(F)(F)F)no2)c1	612874431	VNKFYQLTMPSCGT-UHFFFAOYSA-N	409.751	5.133	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1C	613407196	LADRDVZJGVCOKG-HNNXBMFYSA-N	406.898	5.242	30	20	HKED	
N#CCCn1cc(CNc2ccc(C(F)(F)C(F)(F)F)cc2)c(-c2ccncc2)n1	618967042	WYVBQOAYFQMEOL-UHFFFAOYSA-N	421.373	5.125	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nc2sccc2c1=O	645079662	LQUDMLHOWGHLLO-HXUWFJFHSA-N	418.543	5.360	30	20	HKED	
C[C@H](c1nnc(-c2ccccc2F)s1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	669930611	QTEPYHHQMCCGMH-IEBDPFPHSA-N	413.362	5.078	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F	685095876	FZQDFGGCQUUOEO-HNNXBMFYSA-N	408.420	5.245	30	20	HKED	
O=C(O)CCOc1cccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1	727685126	AWADVAPPDDPVOG-VBKFSLOCSA-N	423.465	5.015	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1nc2ccccc2o1	730071103	FNQDQBOOLHIEPS-OPAMFIHVSA-N	402.450	5.677	30	20	HKED	
N#CCn1c(C(=O)O[C@@H](c2ccc(Cl)cc2)c2cccnc2)cc2ccccc21	730428878	KLQCATNCEXYFBL-QFIPXVFZSA-N	401.853	5.160	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccccc1	730685508	JGDGYWQYBODLPB-CYFREDJKSA-N	412.514	5.855	30	20	HKED	
CN(CCc1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	731753238	FRBJRISAFOZKAY-OAQYLSRUSA-N	421.903	5.841	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3SC(F)F)c2)c1	734314377	KHXBCTGDXGXUEQ-UHFFFAOYSA-N	410.445	5.704	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccc3ccccc3c2)o1	735233007	GSZSYSLEEWVOOQ-UHFFFAOYSA-N	407.882	5.738	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Cc3ccc(OCC#N)cc3)s2)cc1	739609660	CJTLVZPYSCVUPY-GOSISDBHSA-N	419.550	5.091	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C	741636572	OIEQGZGPMZMAEF-UHFFFAOYSA-N	408.376	5.027	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1C(F)(F)F	744117092	UCLKRONEFUQTNK-MSKHEQNASA-N	404.388	5.734	30	20	HKED	
CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	745550554	YFUHAIRLZFJGHI-JTSKRJEESA-N	410.539	5.002	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccccc3Cl)n2)cc1	747638231	XMMVUOOIKHFHOA-FQEVSTJZSA-N	412.880	5.433	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(N3CCc4sccc4C3)cc2)c1O	748585720	KYZMHPSTXHFBQC-UHFFFAOYSA-N	413.886	5.329	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(F)cc(C(F)(F)F)c1	756232412	UADRBQKCPAGRFA-AWEZNQCLSA-N	419.161	5.112	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1	758536269	TVRBBPXTSDXMCL-YADHBBJMSA-N	403.507	5.009	30	20	HKED	
CC(C)Cn1ncc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C(F)F	759150665	ZUFQIYDCPDBCIV-UHFFFAOYSA-N	414.481	5.007	30	20	HKED	
CC(C)Sc1c(Cl)cccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	761875186	SYSNLUMGNJTFMQ-LJQANCHMSA-N	415.946	5.318	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	763477100	MFVXSDNJUKEFON-QGZVFWFLSA-N	418.518	5.799	30	20	HKED	
N#Cc1cc(NC(=O)Cc2cc3c(ccc4ccccc43)o2)c(Cl)c([N+](=O)[O-])c1	764302292	RUUPMEQHJYHUQP-UHFFFAOYSA-N	405.797	5.200	30	20	HKED	
CC#CCCCC(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1	767668886	VNZUEEIDXZEOOC-UHFFFAOYSA-N	424.444	5.083	30	20	HKED	
COc1cccc(/C=C\C(=O)c2ccc(Br)cc2F)c1OC(F)F	767738362	VBJOIPNSQLQUAB-YVMONPNESA-N	401.178	5.094	30	20	HKED	
N#C[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1	768181523	PXKTUBCOVBSQQD-LBPRGKRZSA-N	407.606	5.660	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3c(C)ccc(C)c3C2=O)cs1	769746636	MIIGDPTXFXAAMZ-ATVHPVEESA-N	420.509	5.796	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1	772631765	GHGSAZPWTQIQBB-HXUWFJFHSA-N	422.868	5.075	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1nc(-c2ccccc2)cs1	775226582	GMMBMWRODGGKEC-SFHVURJKSA-N	421.485	5.034	30	20	HKED	
N#Cc1cc(N[C@@H]2CCCc3c2sc2ccccc32)ccc1N1CCC(O)CC1	777117940	PDKZIKYEKBPXBQ-OAQYLSRUSA-N	403.551	5.224	30	20	HKED	
CC(C)N(CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)OC(C)(C)C	777295174	AOAKTSBAUKHAKT-CQSZACIVSA-N	421.950	5.162	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)n1	777326532	UVDYYPROUWPFJM-MVJTYMMSSA-N	417.575	5.011	30	20	HKED	
C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C)(C#N)CC2)c1=S	779879642	OXVZQQWGVHXVKN-UHFFFAOYSA-N	409.603	5.148	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	779902805	AFYKOZOGYLCGEJ-HSZRJFAPSA-N	412.917	5.516	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	780161610	HBQODVGPVCLBKF-LBPRGKRZSA-N	419.428	5.177	30	20	HKED	
Cc1cccc(COc2ccc(CNC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)c1	780673992	HVBYXRBGNYRZKA-LJQANCHMSA-N	415.493	5.187	30	20	HKED	
O=C(/C=C/c1scnc1C1CC1)c1ccc(Br)cc1Br	782306042	OXVVSWDUDLLOFL-AATRIKPKSA-N	413.134	5.442	30	20	HKED	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782754161	UQVWGNLGTRWKQB-SJORKVTESA-N	415.493	5.061	30	20	HKED	
C=C[C@](C)(CC)C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1	785464968	AUKKUJSOZLYYDB-HXUWFJFHSA-N	402.288	5.209	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1	788840045	NSMRGMWOTYQJNG-VMPITWQZSA-N	411.248	5.099	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	789450340	OHUICBVYJZMHKW-KRWDZBQOSA-N	401.551	5.012	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nccc2ccccc12	792093443	IRJBVYSYBOKKBZ-UGSOOPFHSA-N	411.324	5.354	30	20	HKED	
COc1ccc(Nc2nc(COC(=O)C[C@H](CC#N)c3ccccc3)cs2)cc1	795981753	PAMJEMSICYFYLM-KRWDZBQOSA-N	407.495	5.026	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1	796287006	IJBITFYZIIOIFD-IBGZPJMESA-N	410.823	5.382	30	20	HKED	
COc1ccc(C2(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)CCCC2)cc1OC	797569204	OIVJYEJWKMOULM-INIZCTEOSA-N	412.555	5.146	30	20	HKED	
N#C[C@H](C(=O)/C=C\Sc1cc(F)ccc1F)C(=O)Nc1cccc2ccccc12	797942618	HKVFEJQGFADKFR-QXPKXGMISA-N	408.429	5.071	30	20	HKED	
N#CCCn1cc(/C=C2\Cc3ccc(Br)cc3C2=O)c(-c2ccccc2)n1	800795937	FDCGNXXHOWVCRP-SFQUDFHCSA-N	418.294	5.049	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)CC(C)(C)O2	810176131	SHXXOBPVMFLCJD-GOSISDBHSA-N	413.543	5.359	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	814622305	KHLABDZEZOQUKY-NRFANRHFSA-N	408.502	5.448	30	20	HKED	
N#Cc1ccc(N2CCC(c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c(F)c1	904314845	WBXKBBDGKAOMKG-UHFFFAOYSA-N	416.378	5.150	30	20	HKED	
Cc1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C)c1OC(F)F	914796225	ZADANSLAHKBDOU-WDNDVIMCSA-N	419.356	5.904	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCn2ccc3ccccc32)cc1	915353213	LXQFSJQPMXUUMW-XMMPIXPASA-N	408.505	5.509	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915359002	HHOJOMQVASSKAK-HSZRJFAPSA-N	411.530	6.221	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1O	916130265	MEEMLDNKTSPKTF-DUXPYHPUSA-N	407.647	5.459	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccccc2)c2ccccc12	916546807	GYYIZBUNYRAWSH-WYMLVPIESA-N	407.473	5.522	30	20	HKED	
CN(Cc1ccc(Cl)nc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	916686429	JIGXBYMSZFETGX-UHFFFAOYSA-N	420.900	5.044	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	917044913	VKKCFCFUILVLCK-LBPRGKRZSA-N	412.845	6.052	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	918488910	GJFYLEUNBSJCTN-GOSISDBHSA-N	414.889	5.638	30	20	HKED	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CC(F)(F)F)C1CC1	920014044	ORRWRLRKVPRDPV-DAFODLJHSA-N	405.260	5.291	30	20	HKED	
Cc1cccc(OCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C	920805319	BYLLIVSJXXELDZ-OAHLLOKOSA-N	412.461	5.351	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc(Cl)c2F)cs1	921137794	LWFBSWSFSVCGJG-UHFFFAOYSA-N	423.300	5.720	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)c(F)c4)CCC3)cc2)C1	1785808135	RIWZGDUDGJGGRR-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccsc3)cc2)CCC1	1786944186	PQPXDEZESPLFJX-MDWZMJQESA-N	406.551	5.089	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cn3)CCC2)cc1	1789456365	RXGPWVJKZXBPFR-HXUWFJFHSA-N	423.944	5.251	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1	1789937775	DCTZGZDIWYBPPZ-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4[nH]ccc4s3)CCC2)cc1	1791250229	LBPVLXQBSOPKEW-OAHLLOKOSA-N	407.539	5.189	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1	1832610005	REAJQXUIPJSXHC-GCJKJVERSA-N	416.993	5.094	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccccc1	14871956	DRWWGYJYBWBNJI-UHFFFAOYSA-O	417.598	5.885	30	20	HKED	
COc1ccc(-c2nc(CSc3nc4c(c(C)c3C#N)CCC4)cs2)cc1OC	22122724	HRCWMSUTOMJZCV-UHFFFAOYSA-N	423.563	5.183	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	41538068	XTWHLDQNDYTFCU-ZDUSSCGKSA-N	404.278	5.011	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47580609	CESHKCUXXVPWDF-SFHVURJKSA-N	417.484	5.696	30	20	HKED	
COCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)oc2ccccc12	47974623	QATDINDEMFKDCR-UHFFFAOYSA-N	413.433	5.199	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1	63393329	HWENXFOTORHKDK-UHFFFAOYSA-N	420.563	5.695	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n(C(C)(C)C)n1	65819418	VROZYQAYPDAWPZ-UHFFFAOYSA-N	419.504	5.192	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1	303603908	ATMPNQZENJRMSO-PMACEKPBSA-N	418.443	5.352	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)CCCCOc2cccc(C#N)c2)c1	303666668	CHNCHYSMYVACRL-UHFFFAOYSA-N	422.472	5.709	30	20	HKED	
C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccc(C#N)cc1	303708065	PHMXMOHHTLALIJ-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC(c4ccc(Cl)cc4Cl)CC3)o2)cc1	428715310	FUWMUGSMMCOHKX-UHFFFAOYSA-N	413.308	5.295	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1	433027533	LGWVPJHBTYFQLN-QFIPXVFZSA-N	404.539	5.352	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N(C)Cc1ccc(C#N)cc1	436085422	GEKZIXJZFJRLGX-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1	436113650	IJFYMJBJICCEOP-UHFFFAOYSA-N	414.962	6.052	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1	436124484	IQXWGKWLMIIFSW-QGZVFWFLSA-N	423.586	5.418	30	20	HKED	
COc1cccc(CO[C@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437476562	OLZQVJFSTPGWNU-MRXNPFEDSA-N	420.440	5.042	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1	437759720	OQRDHKAWKWIRTE-HNNXBMFYSA-N	410.499	5.186	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1	438052809	SNMOQBAVWGLPMD-IRXDYDNUSA-N	405.527	5.149	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1	438457539	SJRUNCQUDULAPQ-VWPQPMDRSA-N	423.557	5.293	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)c1	438841778	MJFYRQUGQDFKJY-MRXNPFEDSA-N	409.555	5.264	30	20	HKED	
COc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(OCc2ccccc2)c1	439025674	SNHSDWDFZMPLHR-UHFFFAOYSA-N	418.518	5.018	30	20	HKED	
C[C@H](Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)N(CCC#N)c1ccc(F)cc1	439548535	JJZZBDLXLDSNGM-HNNXBMFYSA-N	408.477	5.012	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)cs1	439669788	XFROLAGKJVANIV-NRFANRHFSA-N	407.564	5.519	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)cs1	442669541	GXBVARIOYURJPL-SFHVURJKSA-N	401.516	5.732	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c2ccccc21	444176148	NRMNAXMHNBZTID-VWLOTQADSA-N	410.521	5.794	30	20	HKED	
CC(C)n1ncc2cc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)cnc21	463222301	KWHQFTBTFJCMEF-UHFFFAOYSA-N	401.445	5.427	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)CCCCC2=O	463391001	JJHSIASQLZUBOQ-UHFFFAOYSA-N	411.461	5.215	30	20	HKED	
N#Cc1cc(NC(=O)c2ccnc(C3CC3)n2)ccc1Oc1ccc(C(F)(F)F)cc1	464281205	IJGGALVMLDKYNL-UHFFFAOYSA-N	424.382	5.289	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	464468808	QPHBTQIIBSRVOJ-LJQANCHMSA-N	408.379	5.130	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nc(-c2ccncc2)cs1	467072710	CLOSBEPETOXCFX-IBGZPJMESA-N	416.893	5.411	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1	467910314	QCXPKWPSJPTHEN-OAQYLSRUSA-N	405.479	5.017	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	470356163	GOYPCGXJARKDFU-GOSISDBHSA-N	403.404	5.545	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1	470807756	HNSKQLVNTPUFHS-SFHVURJKSA-N	423.472	5.613	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(C2CCCCC2)CC1	473519023	AYQOUVLMPBRJSL-UHFFFAOYSA-N	419.594	5.236	30	20	HKED	
Cn1ncc(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)c1C#N	477122381	PVHQXBNMQASZFG-UHFFFAOYSA-N	405.672	5.171	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	477420093	CXRAIJGBYKFKDN-PRHODGIISA-N	407.276	5.527	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1	478803132	DMQOINKZAKMUIA-MRXNPFEDSA-N	405.527	5.135	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	480599447	ZDIZCLIXBWNKDR-INIZCTEOSA-N	403.841	5.045	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	480801129	FTVVLWDBRBCVQX-RDTXWAMCSA-N	403.404	5.545	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)c2ccc(Br)cc2)nnc1-c1ccncc1	481351607	WNMXFRJZKVFDQJ-AWEZNQCLSA-N	415.360	5.532	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccccc3)o2)cc1	482036176	BOXITGUOBNSOBG-UHFFFAOYSA-N	400.356	5.148	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2s1	483231774	JHHQBAIFJYCXCI-OAHLLOKOSA-N	406.536	5.242	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](c3ccccc3)c3cccnc3)c2)cc1	485649334	OLXPQUICNLYOEH-RUZDIDTESA-N	405.457	5.265	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(-c3ccc(Br)cc3)c2)nn1CCC#N	486457481	HGJYQQHYYZMBHU-UHFFFAOYSA-N	424.302	5.179	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(F)cc1OC(F)F	486810917	SFTCGSWNVPAUIN-UHFFFAOYSA-N	413.355	5.047	30	20	HKED	
Cc1nc(COc2cccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)cs1	487213786	WGXRGJVOSZYCER-QFIPXVFZSA-N	405.523	5.196	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)cc1OC	488206490	VEAHZBAZKJITSO-UHFFFAOYSA-N	414.505	5.075	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	492246807	WPNZNOXPCYATEU-OAHLLOKOSA-N	403.529	5.413	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC(F)F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	496026687	CZOYHRDPYHZJFY-ZDUSSCGKSA-N	422.815	5.694	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(OCCCC#N)c2)c(F)cc1Br	497435148	GUOCAGSACMBEMS-UHFFFAOYSA-N	406.255	5.223	30	20	HKED	
N#C[C@@H](NC(=O)c1ccnc(SCC(F)(F)F)c1)c1c(Cl)cccc1Cl	499838626	YKPFKNSIUWGEOU-GFCCVEGCSA-N	420.243	5.037	30	20	HKED	
COCc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	500878899	RWCTWGROKADDRJ-QFIPXVFZSA-N	419.912	5.464	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1	502614915	AHAHGJZOERJXAK-SFHVURJKSA-N	420.513	5.028	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC	503195022	VGPRCNOYFREWCE-UHFFFAOYSA-N	403.438	5.320	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NC2CCOCC2)cc1	503216258	KGVBBRVZCIHHFY-INIZCTEOSA-N	410.543	5.316	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)n1	505294818	ZWFLHGLOKYKADW-INIZCTEOSA-N	418.453	5.161	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	508602414	DLBWXEZHUOSTTM-INIZCTEOSA-N	422.529	5.422	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)CC1	508723562	JXADVMKBJMDARP-UHFFFAOYSA-N	416.900	5.189	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)s2)cc1	509649665	MNEXSWFYITZCAY-HXUWFJFHSA-N	422.941	5.628	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1	513729492	YOCBOAUPNOMCPG-UHFFFAOYSA-N	424.909	5.987	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCCc1nc2c(s1)CCCC2	517474214	WNUSDYFEVVPNIX-OAHLLOKOSA-N	414.600	5.028	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc4c3CC[C@@H](C)C4)n2)cc1	517800793	JNJJSSGXDYTCRW-CXAGYDPISA-N	408.548	5.495	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccco3)C3CCCC3)c2)cc1	518335110	QLHOLBREYLSNSY-UHFFFAOYSA-N	401.466	5.920	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CSCc2coc(-c3ccccc3)n2)cc1	518710217	RDKYMUQAXBPDKY-NRFANRHFSA-N	419.550	5.253	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(Cc4ccccc4)CC3)c2)cc1	519123728	UVNIQUYFQYLHBL-UHFFFAOYSA-N	411.505	5.201	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4)cn3)n2)cc1	519804419	HXVUFLCURFOAGV-FQEVSTJZSA-N	422.469	5.359	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	520742740	CRXZWUHCHGOGSQ-INIZCTEOSA-N	420.538	5.957	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1ccccc1Cl	520855227	FFYCUXOYSAAGBS-OAHLLOKOSA-N	403.935	5.134	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2)cc1	523797217	RGIBHWWYNGBXHB-FQEVSTJZSA-N	409.470	5.237	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)Nc3cc(C#N)ccc3OC(F)F)oc12	524434646	ANVXHTKBNYUXBU-LBPRGKRZSA-N	415.396	5.187	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2F)c1	524457624	RQKOXSARIVPRCH-SJORKVTESA-N	420.406	5.584	30	20	HKED	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	524565011	CLUOGGSRSWBTEA-MRXNPFEDSA-N	412.515	5.289	30	20	HKED	
COc1cccc([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2Cl)c1	525522086	OJSPFSLWSAAOQC-XMMPIXPASA-N	404.897	5.059	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1	526065361	MCVZFOCRUPPWFC-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)o1	533425716	YDGYUYGUUPJCMY-QUCCMNQESA-N	411.571	5.538	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1Br	534582933	LTTGNXLUCSSDCH-MRXNPFEDSA-N	422.307	5.243	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)n1C	536205767	YKBYDUYMFIJFDE-LBPRGKRZSA-N	412.927	5.210	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1	536666260	JZQILPCHJFIEPU-UIOOFZCWSA-N	419.532	5.206	30	20	HKED	
COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1	539252891	QELJBOZYSKTLDC-SFHVURJKSA-N	402.494	5.005	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2cccc(C[S@](=O)C3CCCCC3)c2)CC1	539931025	FNGGJIYCUSLMEA-GRFFYOSDSA-N	420.622	6.084	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccccc1	540378294	FCZGLKXZUTZGBF-YJBOKZPZSA-N	421.488	5.160	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC1	541455525	PMNHZJNFHOPTMW-UHFFFAOYSA-N	400.482	5.065	30	20	HKED	
COc1ccc([C@H](NCc2ccc(CC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1	542224612	IDGOMPSLDCKNMN-HSZRJFAPSA-N	410.439	5.659	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Br)c(Cl)c1Cl	542717585	YRIDVFPLMDHQCW-UHFFFAOYSA-N	407.139	5.550	30	20	HKED	
C[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542947680	GSQOVYWGJAOICL-MRXNPFEDSA-N	415.443	6.009	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	543320869	RYQOAXMABOVQQU-UXHICEINSA-N	402.523	5.422	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)CC2)c1	552330542	VUZAUMZLYRXPQO-UHFFFAOYSA-N	416.418	5.154	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2c2nnc(C3CCC3)o2)n2c(nc3ccccc32)c1C#N	564492940	TVIZRQKKODAIOE-HXUWFJFHSA-N	412.497	5.050	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1cnccc1C#N	567079303	CXIAXFYPMFCNAY-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	573242232	GCNLTWXYVNBUCN-KGYLQXTDSA-N	421.303	5.746	30	20	HKED	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	576609123	BVIRVFGDYQSPRG-UHFFFAOYSA-N	417.309	5.032	30	20	HKED	
N#Cc1cc(Br)ccc1CSc1nnc(-c2cccc(Cl)c2)o1	577610909	AVFGGABCMDXVOW-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc(C[C@H](CC#N)c2ccccc2)n1	578556364	WFSYJTYSLGOYQN-FPOVZHCZSA-N	409.917	5.521	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1	579886338	INNFERZQIREDSH-UHFFFAOYSA-N	423.969	6.172	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)nc2ccccc12	583405461	MGPBCZXAVFRFCE-UHFFFAOYSA-N	404.882	5.065	30	20	HKED	
C[C@@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)c1ccccc1	589975356	WZAIVKRKWOCABR-OAHLLOKOSA-N	411.914	5.422	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)s1	590250462	YGXUJZUSSCQCBZ-UHFFFAOYSA-N	404.491	5.109	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1F	590325370	NPZPNSAWAPRJDV-SNVBAGLBSA-N	408.317	6.088	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	603639118	XNKPSQKQNHYJQW-RUZDIDTESA-N	412.489	5.123	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2nc1C	603991616	DIWKQSRSYANTMF-UHFFFAOYSA-N	410.502	5.198	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccco1	609434242	JVPLNXDMACXTEJ-JOCHJYFZSA-N	418.497	5.148	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1	609435214	YLVIRGGBJDQMJK-YJBOKZPZSA-N	422.579	6.060	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1	609508821	BOEGCOBVGQVGKW-CXMUWEKQSA-N	410.517	5.321	30	20	HKED	
C=CCn1c(S[C@H](C(=O)OC)c2cccc(Cl)c2)nnc1-c1cccc(C)c1	609786866	DUCGEMGXFVCWAU-SFHVURJKSA-N	413.930	5.099	30	20	HKED	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N	609820402	UAKWKZBIUZRTFF-AVRDEDQJSA-N	408.567	5.281	30	20	HKED	
N#CCN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C1CCCC1	609978292	OMTCEGMUYAQCKU-UHFFFAOYSA-N	407.564	5.376	30	20	HKED	
Cc1sc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c(C#N)c1C	610433822	UQKKJDWAFMCBMV-UHFFFAOYSA-N	407.442	5.631	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1	611386028	ARADKDOBXSPWGJ-CQSZACIVSA-N	410.930	5.204	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	611548686	FAWLFODIFFAKQN-HIFRSBDPSA-N	406.379	5.293	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1(C)CCC(F)(F)CC1	612305161	JILRGMVZFGSYOP-UHFFFAOYSA-N	413.468	5.535	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1	613319869	QSNBWSXEBDYXHK-IBGZPJMESA-N	418.909	5.448	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	613407311	QIKNBCIMCVXMJG-IBGZPJMESA-N	413.889	5.978	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccco1	645087316	CMUGMFNDYOJCNF-CYBMUJFWSA-N	411.462	5.075	30	20	HKED	
Cc1cc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nn1C	679951452	KVPCWKDYKIZXAO-CYBMUJFWSA-N	419.291	5.159	30	20	HKED	
Cc1ccc(-c2nc(COC(=O)c3occc3COc3cccc(C#N)c3)co2)cc1	726691880	MTRLMEHFEBZNQP-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)n1	729887058	QBFMGVWSTTUUCO-JTQLQIEISA-N	411.733	5.572	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3ccc(C)cc3C2=O)cs1	730948809	LUOOJEKARVUOAD-LFIBNONCSA-N	408.910	5.612	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C\c1cccc(OCCCc2ccccc2)c1	731939584	ZCUNKRLHXKAEES-XLNRJJMWSA-N	406.551	5.201	30	20	HKED	
CCCCCCCCCN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1	732955103	UFODLFNUMDNISD-UHFFFAOYSA-N	407.352	5.113	30	20	HKED	
C=CC[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccncc1	734460737	SGVWQNPKWSGBHB-SFHVURJKSA-N	417.456	5.200	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1	739154811	FIGYCJUECULHQC-KSSFIOAISA-N	414.452	6.199	30	20	HKED	
C#CCOc1cccc(NC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1	740454737	XIXXBFIOGPMHJP-GOSISDBHSA-N	419.550	5.664	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)/C=C\c2ccccc2C#N)nc1-c1ccccc1	740727519	QQIKDZXPMNKJOJ-MTVZPNFRSA-N	411.505	5.714	30	20	HKED	
CCOc1ccc(C=NOCc2ccc(OC)c(SC(F)(F)F)c2)cc1OC	742350895	FZTZVSLGWFHWCX-UHFFFAOYSA-N	415.433	5.265	30	20	HKED	
Cc1c(Cl)cccc1NC(=S)Nc1ccc(Oc2ccccc2C#N)c(F)c1	743036981	PTMTZTRWVAFIBH-UHFFFAOYSA-N	411.889	6.260	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(Cl)c1	744029833	WWVZPJVNKRVHQL-UZLBHIALSA-N	418.880	5.583	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1cccc(CC#N)c1)C(F)(F)F	746438820	YGLGFMUDQVTXQV-HXUWFJFHSA-N	413.399	5.016	30	20	HKED	
CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1sc(-c2cccnc2)nc1C	747611341	LCHPRVWTXCOXEH-UHFFFAOYSA-N	407.930	5.860	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)cc1	747792553	WIAOQTXLGCTJSJ-OAQYLSRUSA-N	410.395	5.422	30	20	HKED	
N#Cc1csc(/C=C(/C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)c1	748439421	QUNWARUMBURQAH-VCHYOVAHSA-N	418.909	5.006	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)s1	749017203	RGTYSQLBDPJMKO-DHDCSXOGSA-N	423.009	5.267	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1C	750914281	VEEAAZXSGALVOD-JYRVWZFOSA-N	407.901	5.322	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1	751005486	SUMKYRWHOOCVGI-SOLBZPMBSA-N	415.584	5.262	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl	753775105	RPUONUHRLAWXMC-SFHVURJKSA-N	416.308	5.086	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)OC(=O)c1cnn(CCC#N)c1-c1ccccc1	759054882	OCPMBHGNZJPNAH-INIZCTEOSA-N	408.527	5.270	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSCc1cc(Cl)ccc1OCC#N	762815355	YLPMBSSEVBIFOI-AWEZNQCLSA-N	423.365	5.349	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cn(Cc3ccccc3)nc2C(C)(C)C)c1	763472627	HXHUNPCJBNQUIL-HSZRJFAPSA-N	416.569	5.200	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2n1	766615564	FDLNQGVBYMSIBM-XMMPIXPASA-N	405.501	5.113	30	20	HKED	
FC(F)(F)Oc1ccccc1C=Nn1cnnc1SCc1ccc(Cl)cc1	767198874	HGPZUIBUPFPHMT-UHFFFAOYSA-N	412.824	5.005	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCCN1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	768781518	SEHYQYWEFIPHSX-PZJWPPBQSA-N	421.953	5.304	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c1	772176215	XPTBICLEIUFIHM-JOCHJYFZSA-N	414.505	5.363	30	20	HKED	
C#CCCCCC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	773634531	BHJMYBMHGLTPCO-UHFFFAOYSA-N	418.946	5.335	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccc(F)c(F)c1	775602250	SFKYGSVFUMQFHU-JOCHJYFZSA-N	409.436	5.378	30	20	HKED	
CC(C)(C)Sc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccn1	779192855	BGBBAUMXVLMZOF-CYBMUJFWSA-N	401.944	5.725	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	780674226	LLEQXJAOVHRXKX-RXVVDRJESA-N	424.504	5.412	30	20	HKED	
Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1	780680740	IDYNKRHKJIQKCM-LJQANCHMSA-N	403.482	5.156	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	780980838	CJWILEGPQNBEOJ-AVRDEDQJSA-N	409.530	5.087	30	20	HKED	
Cc1noc(C2CC2)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	784833832	RIKJSHZCEQXYKN-ZDUSSCGKSA-N	418.305	5.781	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(N2CCNC2=O)cc1	786907311	JDYRTGVMCIPZQO-MOPGFXCFSA-N	410.521	5.167	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(Br)c(Cl)c1	790463281	CZDSRSRJUGKCQS-JTQLQIEISA-N	410.724	5.002	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CC1CC(c2ccccc2)C1	798733998	DGQJACWGTUIYPX-ZJRDLVKKSA-N	422.550	5.146	30	20	HKED	
CC(=C/c1ccccc1C(F)(F)F)/C=C/C(=O)c1ccc(N2CCOC2=O)cc1	799892537	JTTAHZDOLCMZKA-ADAMLCODSA-N	401.384	5.504	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Cl)s1)C(=O)Nc1ccccc1Oc1ccccc1	802042873	LIFMNRPCWNWSCA-MRXNPFEDSA-N	410.882	5.084	30	20	HKED	
CC(=C\c1cccc(C(F)(F)F)c1)/C=C(/C(=O)C(=O)O)c1ccc2ccccc2n1	806570262	UZGKORSORWSHOS-JOEZZVDMSA-N	411.379	5.394	30	20	HKED	
O=C1/C(=C/c2csc(COc3ccc(Cl)cc3)n2)Cc2c1ccc(O)c2F	806575341	YJILFWNXQISRSX-YRNVUSSQSA-N	401.846	5.043	30	20	HKED	
CCSc1nnc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)s1	808432609	SNVNLRYDKZSHKD-IEMQHYRPSA-N	405.614	5.011	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C)c1ccc(Cl)cc1	810174006	NHAJOADYYXESKO-NRFANRHFSA-N	417.896	5.397	30	20	HKED	
CCCCCCC[C@H](C)CNC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	812011079	PVXBWASJEMTUHK-GBESFXJTSA-N	406.571	5.154	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)c1C	814278073	DHFISCGJQYEEBG-ZHZULCJRSA-N	407.564	5.059	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cscc2Br)cc1	814405356	HBQSFWALYZYZGG-SFHVURJKSA-N	411.324	5.347	30	20	HKED	
Cc1cc(CC(C)(C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C)ccc1Br	815897733	FZSPBWZZVBQILE-MRXNPFEDSA-N	424.342	5.089	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1	915086574	LJHRRJKHLGWPCD-SFHVURJKSA-N	401.516	5.779	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	915353908	RHSYMEWSRRMWSB-JOCHJYFZSA-N	415.493	5.071	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)c(OC)c1OC	916140426	TVPYIXYZOVWSCU-FMIVXFBMSA-N	414.404	5.363	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(C2CCCCC2)c1C	916909831	VEUKCJFUHNKDQP-QHCPKHFHSA-N	419.569	5.696	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(COc2ccccc2)cc1	916936643	RMTMYJGYODXIGT-IBGZPJMESA-N	422.843	5.019	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1	916939164	PIRXRYGDVFQODE-SFHVURJKSA-N	424.859	5.139	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C)o3)nc2C)cc1	916951687	ZWSBSYRATYZPDS-SCLBCKFNSA-N	421.522	5.495	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2)o1)c1nc2cc(Cl)ccc2s1	917043515	JJCHGNVPFSSCCO-KRWDZBQOSA-N	406.894	6.019	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2ccccc2-c2ccccc2)cc1	917542892	XDXYJENLCMFIPA-UHFFFAOYSA-N	404.926	5.773	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	920101596	FXQAFLBOCCLEOF-QGZVFWFLSA-N	417.465	5.253	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	920106573	SPBKHHPHBLBJMU-HNNXBMFYSA-N	421.522	5.036	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc4ccccc4c3)n2)cc1	920141627	GIIYLMVGKKSNAG-OAQYLSRUSA-N	414.486	5.227	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCCC1	1723987386	SPPPDDUUMPROQO-HOTGVXAUSA-N	401.942	5.000	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)CCC2)cc1	1791592691	IKUIQOAAMFCZEP-NTUHNPAUSA-N	413.521	5.200	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)cc2)[nH]n1	1819555367	CFBWHVSFVZMJSD-HXUWFJFHSA-N	408.546	5.016	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(C(CC)CC)cc1	22796574	HNJOTYYMCSWVSH-UHFFFAOYSA-O	422.039	5.697	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1	24046151	BEPZBEPPBBXEHX-LBPRGKRZSA-N	403.939	5.318	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N(C)Cc2cccc(C#N)c2)c2cnn(C(C)C)c2n1	25104027	RCKHZQPYFZPHOY-UHFFFAOYSA-N	423.520	5.132	30	20	HKED	
N#Cc1ccsc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	36788270	DRTLBTGUMFKXPF-UHFFFAOYSA-N	416.531	5.408	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3cccs3)c2)c1	48125590	AAEPVLDFRRGIOZ-HXUWFJFHSA-N	416.506	5.241	30	20	HKED	
Cc1cc(CNC(=O)N(C)Cc2cccc(C#N)c2)ccc1Oc1ccc(F)cc1	60575587	VXKKIYLLKKISNQ-UHFFFAOYSA-N	403.457	5.140	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2)cc1	66037451	KKVBRYFWLWKFTR-UHFFFAOYSA-N	409.445	5.577	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1	97543649	UQCXNNRICIZUBL-UHFFFAOYSA-N	412.493	5.096	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)c2)cc1	97546981	VXPFJBXXELUSLW-UHFFFAOYSA-N	406.825	5.027	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3c(F)cccc3s2)cc1	108378281	IGJZXXUKXZRJHY-UHFFFAOYSA-N	416.477	5.938	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3cc4cccc(OC)c4o3)cc2c1C	206679014	DAPWXCLIDOQSMI-FPLPWBNLSA-N	407.447	5.042	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1)c1ccccc1	409513852	OGCSHQLKODIRHQ-GOSISDBHSA-N	401.466	5.156	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1	426129750	SPFDBNFXXLYUNT-QGZVFWFLSA-N	410.688	5.124	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1nc2ccccc2o1	426190613	QICKLLXGPXSUSI-JTQLQIEISA-N	409.161	5.099	30	20	HKED	
N#Cc1c(F)cccc1CNc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	427433732	GCFBOBVNGCCTSA-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F	432456793	ZCODAVHRAYRIQM-NRFANRHFSA-N	417.475	5.462	30	20	HKED	
Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2s1	433110379	PAIJLNZPUFUHRK-OAHLLOKOSA-N	409.923	5.872	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccc(Cl)cc2s1	436445177	STWQUEBVTYUVQL-UHFFFAOYSA-N	423.881	5.270	30	20	HKED	
N#Cc1csc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1	437552784	BPDGXJJXGVIJQY-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2cc(Cl)cc(Cl)c2C1	438665904	FLYPIZIQJCHYFR-CYBMUJFWSA-N	420.365	5.835	30	20	HKED	
N#CCCn1cc(CNc2cccc(-c3ncc4n3CCCC4)c2)c(-c2ccccc2)n1	444030507	KHKRQGOSXAMGSD-UHFFFAOYSA-N	422.536	5.276	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(Cc2ccc(F)cc2)c1CC	448384673	FALMGJUTVLBITJ-UHFFFAOYSA-N	406.505	5.132	30	20	HKED	
C[C@@H]1CN(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCC1(F)F	460837155	BCAVIUTXLSFOKQ-ZWNOBZJWSA-N	418.328	5.386	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1cccc(C#N)c1	461918858	HPDMKYGWNXYQIR-OAHLLOKOSA-N	403.869	5.206	30	20	HKED	
CC(C)N(Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1)C[C@@H]1CCCCO1	462607242	SQYUIWOYEMFNJW-CPJSRVTESA-N	419.569	5.080	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1	462838804	FZZGZKOYYLKBBW-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCC(C(F)(F)F)CC1	469413302	DLQYBHRXGHQHDJ-UHFFFAOYSA-N	424.410	6.018	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCC(=O)c3ccc(Cl)cn3)c2)cc1	469506522	IMEDEBYMMOPOSV-UHFFFAOYSA-N	405.841	5.001	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl	469973089	MUAZDGFJKSGHQO-UHFFFAOYSA-N	409.917	5.299	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	471885035	OGPIFHPEBOPVQY-UHFFFAOYSA-N	420.557	5.541	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(C(=O)N(CCC)CCC)c1	476092533	XUOIOJIXSGIMDF-UHFFFAOYSA-N	406.570	6.053	30	20	HKED	
C=CCCCN(C)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	477090475	PFBYLPFQODXQGJ-XYUDRNGQSA-N	411.430	5.533	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)c2ccccc2Cl)c(OC)c1	479486283	HJMNWAPQAIYJGA-QHCPKHFHSA-N	410.876	5.247	30	20	HKED	
COCCCOc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	479580195	PEXVVOHFJLCNOO-UHFFFAOYSA-N	418.518	5.377	30	20	HKED	
N#Cc1cccc(CN[C@H]2CCCc3nc(-c4ccccc4Br)sc32)c1	480787610	DXHJOFWTDRVXAA-SFHVURJKSA-N	424.367	5.611	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(C)cc1	481346993	UYAUVWATQGROCK-GOSISDBHSA-N	420.582	5.682	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1	485734016	BNORZEMUAIRRFN-UHFFFAOYSA-N	403.507	5.861	30	20	HKED	
C=CC[C@H](C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1	488874526	VEOBLLFSZQYYOO-QHCPKHFHSA-N	411.567	5.233	30	20	HKED	
Cn1c(SCc2cc(C#N)ccc2Br)nnc1-c1ccccc1Cl	491562124	VSBDTKNOKCMURH-UHFFFAOYSA-N	419.735	5.062	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nc2ccccc2s1	491919381	FTHTZBHHDRDKDP-MRXNPFEDSA-N	406.413	5.857	30	20	HKED	
CCc1sc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1Br	496355192	GETPNIGNPAZQSB-SECBINFHSA-N	424.270	5.308	30	20	HKED	
Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)no1	500754485	XFACCDMUXKZGLJ-NRFANRHFSA-N	417.469	5.191	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)cc1	501419441	GLZRWJCSNKMJDC-RTBURBONSA-N	416.443	5.639	30	20	HKED	
CCCCSc1nnc(SCC(=O)N(CCC#N)c2cccc(C)c2C)s1	501505526	QDDREROGXVKKOG-UHFFFAOYSA-N	420.629	5.086	30	20	HKED	
CC1(C)Cc2cc(C(=O)N(CCC#N)Cc3ccccn3)sc2-c2ccccc21	505196707	KLKTZHUKHDSKCU-UHFFFAOYSA-N	401.535	5.200	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(C#N)cc1	505333535	OBIWAFZCWCJOAN-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N[C@H](c1c(F)cccc1F)C(F)(F)F	505418976	CAJNURRXDCTCHE-MEDUHNTESA-N	411.292	5.421	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1	505756894	OHQHSBTXVAPGJA-MRXNPFEDSA-N	413.289	5.234	30	20	HKED	
C[C@@H](SCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	505923093	PSLXEMYWZCTPJF-DIFFPNOSSA-N	419.337	5.045	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)o2)cc1	505987327	QOYUQOXTLUMEIC-SFHVURJKSA-N	412.367	5.163	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1	507829684	ZGQCGFXNPFGQHX-INIZCTEOSA-N	419.456	5.246	30	20	HKED	
COc1cc2c(cc1F)CC[C@@H]2NCc1cccc(OCc2cccc(C#N)c2)c1	509414184	GOMZYQBFIZJFEC-DEOSSOPVSA-N	402.469	5.062	30	20	HKED	
COc1cccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	510003709	AKRPBXLXTASGKJ-JOCHJYFZSA-N	419.912	5.668	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1	510139921	NJWOSDDUGKDRAS-UHFFFAOYSA-N	422.872	5.087	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4ccc(Br)cc43)ccc21	510933274	ZIHLSUFPOLFONC-FQEVSTJZSA-N	424.342	5.131	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1	511449151	NFCHMEWODUKFRI-UHFFFAOYSA-N	404.882	5.378	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(F)c(Br)c(Cl)c1	511847497	ZKSJYPPLJMWHHQ-UHFFFAOYSA-N	413.699	5.500	30	20	HKED	
COc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1OCCCC#N	512604071	DBNYBQZJIZYJFY-LJQANCHMSA-N	421.541	5.004	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1Cl	514515171	JIPUAZWPLBNNHI-SFHVURJKSA-N	403.894	5.857	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)C(=O)Nc1ccccc1C#N	515715694	HLDTVISZNJDTQE-SJORKVTESA-N	403.457	5.167	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	516365298	NGCFIIDMUJGYKL-LLVKDONJSA-N	413.346	5.002	30	20	HKED	
CC(C)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	518516441	CMKJVHQNQBJOEG-HXUWFJFHSA-N	401.491	5.207	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	518869970	KYOAPSGXDYWSOP-CQSZACIVSA-N	421.428	5.542	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(CSc2nccn2C)c1	521726843	LNDVCFFDUMWQTJ-INIZCTEOSA-N	422.579	5.216	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3	521726958	UJGNPVITABGTND-CVEARBPZSA-N	403.551	5.797	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1	523016352	KGKBPHAYDZYTHZ-NQIIRXRSSA-N	421.516	5.050	30	20	HKED	
Cc1sc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)c(C#N)c1C	524187290	SESCZODBAJJNQJ-UHFFFAOYSA-N	406.433	5.438	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	524192276	GRHVFJXCRQRFHT-RBUKOAKNSA-N	422.598	5.285	30	20	HKED	
Cn1ccc2c(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cccc21	524665624	VLBVRLFEVNGZKY-UHFFFAOYSA-N	412.468	5.423	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)cc2F)c2ccccc2Cl)c(OC)c1	524673802	ZPTVFEJWZNPZDS-HSZRJFAPSA-N	410.876	5.247	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	525482837	NCENDOOSNWGPJR-QGZVFWFLSA-N	409.505	5.651	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)N(C)C2(C#N)CCC2)cc1	532067441	WDRUZIBXABTAKN-UHFFFAOYSA-N	401.535	5.233	30	20	HKED	
CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	534149097	MGQITRXEYVKHCX-UHFFFAOYSA-N	419.872	5.079	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2ccoc2)c1)c1nc(-c2c(F)cccc2F)cs1	534839651	NHGUYNGSLVQMSN-MRXNPFEDSA-N	406.413	5.838	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(Br)cc(C(F)(F)F)c2)n1	535199827	GRVLMVYDVADZGP-GFCCVEGCSA-N	417.250	5.538	30	20	HKED	
COc1cccc(OC)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	536419526	IPKBHHLHGLLVEC-SFHVURJKSA-N	406.869	5.265	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1cccc(Cl)c1	537114442	QXHDTQMAOVPJBS-OAHLLOKOSA-N	401.963	5.055	30	20	HKED	
COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	540498358	XIHXZGHLNCFRKV-UHFFFAOYSA-N	420.490	5.342	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(Cl)c1Cl	541635147	YYSYYRTXMVWSQG-VIFPVBQESA-N	414.086	5.034	30	20	HKED	
C[C@@H]1N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCC12CCOCC2	543561845	CGSLAJNXEKAWJP-UWJYYQICSA-N	423.944	5.418	30	20	HKED	
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1sc2ccc(C#N)cc2c1C	551275662	WJYYDAHTHGAZTM-OAQYLSRUSA-N	417.578	5.066	30	20	HKED	
N#CCCC[C@H](NCc1ncc(Br)cc1Br)c1ccccc1	552083213	WQZCIIIMVKIVFD-INIZCTEOSA-N	423.152	5.131	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	552507267	AQMXDDRHCKOVGC-UHFFFAOYSA-N	405.517	5.404	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	554052080	FNEPJMNQJJGPDB-UHFFFAOYSA-N	402.800	5.054	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl	554246598	UPYMRGQFYHQTGL-YLJYHZDGSA-N	419.916	5.130	30	20	HKED	
COc1ccc(-c2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)c(F)c2)c(F)c1	558147302	KBGIXSQQDBGEAH-UHFFFAOYSA-N	410.395	5.340	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cc(N(C)C)c1	559651477	MWHIENYOXSZDKX-ZDUSSCGKSA-N	418.360	5.019	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1	561812709	CNJCIXLBRCUTPF-FQEVSTJZSA-N	420.431	5.309	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H](Cc4ccccc4)C3)cc2)ccn1	569630901	ZCMAUUBNZARWPS-FQEVSTJZSA-N	412.493	5.232	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3sc4cc(F)ccc4c3Cl)c2C#N)C1	602754888	ACFKUNDCOWESCR-VIFPVBQESA-N	404.919	6.004	30	20	HKED	
Cn1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C2CCCCC2)n1	608847635	UUVABVZHQDUEJT-UHFFFAOYSA-N	414.509	5.171	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSC[C@H]3CCCCO3)c2C#N)C1	608932235	GRECDPYBJFJBOR-LSDHHAIUSA-N	406.617	5.012	30	20	HKED	
Cn1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Cl)c2ccccc21	609073793	XUWDRFOOLBQBTJ-UHFFFAOYSA-N	415.880	5.535	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)NCc3ccc(C#N)cc3F)cc2)cc1	609254252	MGLSSHYEWZLXLQ-UHFFFAOYSA-N	407.470	5.179	30	20	HKED	
Cc1ccc(NC(=O)CNc2ccccc2SC[C@H](C)C#N)c(Br)c1	609384651	DCUBVRXVIFGKIU-CQSZACIVSA-N	418.360	5.060	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)s2)cc1	609545512	RPLWFDNBONMDRI-GOSISDBHSA-N	422.941	5.280	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cc1	609789139	HQMXOTFIARVZNZ-UHFFFAOYSA-N	401.413	5.272	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1C	610313351	UPTKMFCAZQGLAO-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccc(Cl)cc1)C(F)(F)F	610724052	USYAXRKWXRSFBE-SFHVURJKSA-N	405.807	5.194	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Br)cc1Br	610812470	DKJHRQMFIBQPIX-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cn1)c1ccccc1	613290565	GIPNRLKPFXXDNA-RDTXWAMCSA-N	411.383	5.125	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	613292712	QSGOKHQQOSYULS-AWEZNQCLSA-N	422.271	5.995	30	20	HKED	
N#Cc1c(N2CCC[C@@H](c3nc4ccccc4o3)C2)nc2c(c1C#N)CCCCCC2	619475963	MDUQGLVMVXGQLT-QGZVFWFLSA-N	411.509	5.009	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCCC2	685470372	PZCBEYNIBAKHAZ-CVEARBPZSA-N	406.473	5.363	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2ccc(CC)cc2)c1	726573637	NZUJYTZQVCQVEH-UHFFFAOYSA-O	413.566	5.404	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	726755733	GZIZPGDHOXKVER-INIZCTEOSA-N	411.427	5.334	30	20	HKED	
CCc1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	727954521	QSQXKRINXKEHFO-MLGOLLRUSA-N	402.441	5.857	30	20	HKED	
Cc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1	728393908	YQURUEJXPWDLPV-OAHLLOKOSA-N	409.486	5.529	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	729892443	ZLFGXLAORIZRGQ-JJMHFJPWSA-N	402.519	5.877	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2n1	730395272	SPXBXFWNRVRPCJ-PXDATVDWSA-N	412.489	6.084	30	20	HKED	
Cc1cccc(C)c1NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N	730954941	PAWCOCFYJXYOGA-UHFFFAOYSA-N	409.502	6.137	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)CCC3)cc1	731679047	VMIDREIVPZRZCN-HRAATJIYSA-N	419.550	5.277	30	20	HKED	
CCOc1cc(C#N)cc(Br)c1OC(=O)[C@@H](C)CSc1ccccc1	731960821	RAKYOIYXMBJIFC-ZDUSSCGKSA-N	420.328	5.053	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1	732015653	MENVQLRCMMRXJQ-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cccc(Oc3ccncc3)c2)cc1OC	732640551	CGEZLFROOQEUHZ-NTMALXAHSA-N	402.450	5.099	30	20	HKED	
CCCCCOc1cc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)ccc1OC	734235362	MCFYKFLPTMOZGD-SDQBBNPISA-N	423.553	5.121	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1)C1CC1	734304731	USFJFALDGFCKTC-FLIBITNWSA-N	423.563	5.295	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)o1	734306709	QLXYUEWTPODRHK-UDWIEESQSA-N	406.482	5.903	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1ccc(-c2cccc(F)c2C)o1	734414955	UWCPZBVWDSQZIJ-QFIPXVFZSA-N	424.472	5.052	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccccc3OCc3ccccn3)c2)s1	740013308	CVRSOMVTBPBMIU-UHFFFAOYSA-N	411.530	5.551	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F	741603547	MHOGQDHVIBYOHJ-UHFFFAOYSA-N	416.371	5.217	30	20	HKED	
Cc1c(C(=O)/C=C/c2cc(Cl)ccc2OC(F)F)cnn1-c1ccc(C#N)cc1	741842913	DCZNPYLKPDVTPU-XBXARRHUSA-N	413.811	5.203	30	20	HKED	
CCCCOc1ccc(C(=O)/C=C/c2ccc(Oc3cnccn3)cc2)cc1OC	743056359	DYVJEIQFQFHGIQ-YRNVUSSQSA-N	404.466	5.353	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1	743475890	WWHQSTLZBOTDRU-OALUTQOASA-N	418.566	5.105	30	20	HKED	
C=CCN(C(=O)N[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC)C(C)C	745915156	WSTGRMXNILVVNS-OAQYLSRUSA-N	402.922	5.053	30	20	HKED	
N#C[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	745947620	HHMJGILJSBEGQJ-KRWDZBQOSA-N	417.292	5.167	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	751152732	OUTALAGDKGTSDK-HNNXBMFYSA-N	405.281	5.132	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	751153928	TUTWTPVIRBUQTQ-KRWDZBQOSA-N	418.465	5.140	30	20	HKED	
Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1=S	751934535	RNECXXDYKQECCM-UXHICEINSA-N	423.973	5.001	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)s1	752806420	PPHDOZOILIUEAT-TZMCWYRMSA-N	420.332	5.170	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc2ccccc2nc1Br)c1ccccc1	760161934	DXOIKIPBMQJWGN-INIZCTEOSA-N	409.287	5.164	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1	760786179	OJGNYBUINXBSKS-UHFFFAOYSA-N	424.859	5.142	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)Nc1ccc(F)cc1OCC#N	760801117	NRSCGZMEVYKXKC-UHFFFAOYSA-N	406.413	5.171	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(F)cc(F)cc3C2)cc1	765905596	ALWZMARUKROEPU-QFIPXVFZSA-N	403.432	5.210	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)nc2ccccc21	769773507	LWBVIIHMNWUXRR-MFYHJKBNSA-N	403.791	5.049	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(F)cc2C(F)(F)F)cc1	771858804	LRBOSPSRBXSPFQ-UITAMQMPSA-N	404.363	5.053	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1	772235330	DEQXCFXWLMVCNU-ICDZXHCJSA-N	411.505	5.241	30	20	HKED	
N#CCCCn1cc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c2ccccc21	774054145	QSTCJFUMHFJOPY-UHFFFAOYSA-N	413.433	5.010	30	20	HKED	
CCOc1ccccc1Oc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cn1	776153740	GWPNCHPMCKPESO-GOSISDBHSA-N	403.482	5.026	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)ccc21	777290226	FAXHGHOGQVKMAN-INIZCTEOSA-N	419.506	5.084	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)c1	779105371	XDNPMDWPTWBASX-CPJSRVTESA-N	420.940	5.909	30	20	HKED	
CCOc1cccc2[nH]cc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12	782279549	CDZPLBQCHRUIDJ-QFIPXVFZSA-N	409.489	5.403	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccc(C)cc2C)s1)c1ccccc1	787042259	VOPUWROWRAIYSG-PMACEKPBSA-N	417.534	5.017	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	787398691	BCZWMHSNRLVYHU-OALUTQOASA-N	401.432	5.537	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)n1	788578715	WXDAAJCPJOPOOO-UHFFFAOYSA-N	408.889	5.016	30	20	HKED	
Cc1c(C(=O)/C=C/c2cnc(-c3ccc(Cl)cc3)s2)cnn1-c1ccccn1	789143302	PJVDDEWAVDRSLZ-MDZDMXLPSA-N	406.898	5.249	30	20	HKED	
O=C(C[C@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O)Nc1ccc2ccccc2c1	790742372	OFLAJTUERJNAIW-LJQANCHMSA-N	421.547	5.024	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)sc21	791509526	LOPYUDSQOAGEFP-KRWDZBQOSA-N	422.460	5.480	30	20	HKED	
C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1	791749518	VSUIIFFCOUOCJK-NTKDMRAZSA-N	410.473	5.124	30	20	HKED	
FC(F)COc1ccc(NC(=S)NCCCCC(F)(F)F)cc1C(F)(F)F	794987724	CTSJLZNLRUHFHZ-UHFFFAOYSA-N	424.357	5.368	30	20	HKED	
COc1ccc(-c2cc(NCc3cnc4ccc(C#N)cn34)ccc2OC(F)F)cc1	798090543	OUSDKUQQHLSTED-UHFFFAOYSA-N	420.419	5.095	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	799215414	NBFVVNXJEJGNDM-DVECYGJZSA-N	422.598	5.115	30	20	HKED	
C[C@@H](C#N)OCCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1	801652037	IPZSFMCFROQYMN-SFHVURJKSA-N	420.582	5.312	30	20	HKED	
C[C@@H]1[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1	807620114	DOCMJEXGTKJSLL-LIKDZFNVSA-N	424.548	5.127	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(F)c(F)c2F)cs1	814944142	SLSSWQSLBBFFCM-UHFFFAOYSA-N	418.444	5.308	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccn1C(C)C	815908357	ZKFDJXFNQQXZKS-HXUWFJFHSA-N	401.466	5.131	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3cccc(Cl)c23)cc1	815909440	ABZVGHJBOMYVHK-KBXCAEBGSA-N	407.901	5.225	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1c(Br)cccc1[N+](=O)[O-]	864006393	UEZVPQIIRHIDGG-LBPRGKRZSA-N	406.305	5.364	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1nc(-c2ccccc2)cs1	915102126	NKLWEMPPDCDJBS-KRWDZBQOSA-N	417.559	6.009	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	915104236	NRSMOGNDUOJXRH-AWEZNQCLSA-N	424.444	5.564	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)NCc1ccccc1	916885837	BTMDMHQWRUQVDW-FMAYLGMYSA-N	420.921	5.107	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1	916897525	NIZSOHXCBPYHJF-JARZOMNASA-N	420.921	5.738	30	20	HKED	
N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	916898072	SVGDRKDCFHXBOX-INIZCTEOSA-N	421.349	5.493	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCSc1ccc(Cl)cc1	916899176	IAZXPKVVVUGPQW-IBGZPJMESA-N	414.958	5.295	30	20	HKED	
COC(=O)Nc1ccc(OC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	917056630	HQXHMAMRISAZPC-UHFFFAOYSA-N	418.474	5.248	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	917405047	ZRVXOYUREMACRF-UHFFFAOYSA-N	406.100	5.376	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826367737	HXXCSMZYZXAXCE-DEOSSOPVSA-N	424.629	5.231	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1	11309250	ABIYBFOCEVFGLO-NSHDSACASA-N	423.325	5.150	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1ccc(C(F)(F)F)cn1	41552961	BYCBMYCUZQMCQQ-OAHLLOKOSA-N	419.453	5.339	30	20	HKED	
Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N	50495207	KDXDMWCYHLTQDL-UHFFFAOYSA-N	413.546	5.339	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c12	55569933	YWGBYKNHBWMKPQ-UHFFFAOYSA-N	412.449	5.133	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1	55592358	MHUHIRAMTRIOCX-UHFFFAOYSA-N	409.489	5.150	30	20	HKED	
COc1ccc(CNc2nc(-c3cn(CCC#N)c4ccccc34)cs2)cc1OC	63773948	BHQJQAKOYHLOCS-UHFFFAOYSA-N	418.522	5.308	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1	105537222	TVQJDHVESLLINJ-UHFFFAOYSA-N	417.534	5.112	30	20	HKED	
C[C@H](Nc1ncc(Cl)c(N[C@H](C)c2cccc(C#N)c2)n1)c1cccc(C#N)c1	301711370	HZNCHSBIVHWNEJ-CABCVRRESA-N	402.889	5.220	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	302694704	FTNXHCOEKAKTBT-MRXNPFEDSA-N	420.509	5.489	30	20	HKED	
Cc1cccc([C@@H]2CCCCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)c1	303663106	DSFBRUGWVYKYAI-DEOSSOPVSA-N	417.553	5.166	30	20	HKED	
CCC(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	434061619	GAPGDRQCPWUMDA-UHFFFAOYSA-N	415.468	5.524	30	20	HKED	
N#CCCn1cc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c(-c2ccncc2)n1	434982799	NERLNBDNZZODNA-UBFVSLLYSA-N	411.553	5.017	30	20	HKED	
C=CCC[C@@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1	435275486	SFOGYEBRZSHWJH-XMMPIXPASA-N	404.510	5.237	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)s2)cc1	437156757	QATFXRXWRXFHJC-HOTGVXAUSA-N	422.476	5.096	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC4(CCOCC4)C3)cc2Cl)cc1	437895127	LNEAJVBPWGFBLL-UHFFFAOYSA-N	411.889	5.038	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)n1	438118411	XRMZNMJCNIQCNN-LEWJYISDSA-N	402.523	5.422	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC3CCC4(CCOCC4)CC3)cc2)cc1	438524345	SYQDZJBRXYMEQN-UHFFFAOYSA-N	404.510	5.014	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2nc(COC)sc2-c2ccccc2)c1	440974103	DXIXPEXSBBLWCD-UHFFFAOYSA-N	423.538	5.233	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCCC1(C)C	444901874	LOOLFVZFSVLAPB-FQEVSTJZSA-N	410.518	5.200	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	448378235	VAQSAWKUOFSYJJ-HXUWFJFHSA-N	421.932	5.945	30	20	HKED	
C[C@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccs1	461493291	BQCJUAOFUOFNSY-CQSZACIVSA-N	417.991	5.072	30	20	HKED	
CCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1	467108216	ZZRVJSFBWZZZFO-UHFFFAOYSA-N	402.519	5.810	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	471173007	LRQPSVXZADBLFK-UHFFFAOYSA-N	423.344	5.297	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)n1	471257731	NCISBLVKSQMOFT-VIFPVBQESA-N	406.298	5.175	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)cc1	471940779	JSGIZVWHTIDSLM-YADHBBJMSA-N	402.494	5.023	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1	475581634	JZJUQLZQBIXZKC-DEOSSOPVSA-N	421.585	5.042	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@H]1c1ccc(Br)s1)c1ccccc1	476674084	RIHBQIBZKKPYSW-HOTGVXAUSA-N	403.345	5.262	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(SCc2csc(-c3ccc(Cl)cc3)n2)n1	476705567	YTNDJXVNKDVDDW-UHFFFAOYSA-N	415.927	5.199	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cs1	477712055	MHNWHYBKJHSUDY-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1)c1ccc(F)c(F)c1	477741427	KYIJVVQRKZQNAA-QFIPXVFZSA-N	412.480	5.195	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(Cl)c1)c1nc(-c2ccncc2)cs1	477843555	SSIGOKNFKFFLFW-LBPRGKRZSA-N	418.703	5.111	30	20	HKED	
O=C(Cc1ccoc1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	478224627	HVANWHNPFCGCCO-ZDUSSCGKSA-N	419.243	5.280	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	480555186	NGYNZQIIJYEPKE-LIRRHRJNSA-N	403.404	5.545	30	20	HKED	
COc1ccc([C@H](NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)cc1	482147983	FMXCNKQMZNIQRD-GJZGRUSLSA-N	424.316	5.041	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482387590	CQTGJFYWAFXZBD-GOSISDBHSA-N	411.374	5.060	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c12	483194382	HJHKKUVKDBLGSW-OAHLLOKOSA-N	423.432	5.039	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	483439638	OVOQGSFDUMIHGP-LJQANCHMSA-N	414.505	5.473	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C	484957302	CEUSKKASRSXMJF-QGZVFWFLSA-N	419.504	5.408	30	20	HKED	
N#C[C@H](NC(=O)c1c(F)ccc(Br)c1F)c1ccc(Cl)c(Cl)c1	486436287	SHSFCAFQVVAYJH-LBPRGKRZSA-N	420.040	5.029	30	20	HKED	
COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	488332211	NFAOGRIYADASAB-BEFAXECRSA-N	417.962	5.586	30	20	HKED	
C=C(C)Cn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccncc1	489414298	ZHQXRLRDONRCGE-UHFFFAOYSA-N	419.579	5.256	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1	489683466	SBEBPNKGJYMPMW-IBGZPJMESA-N	418.497	5.261	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl	499816173	UTIYJMQPLXJENG-XEZPLFJOSA-N	413.226	5.497	30	20	HKED	
COc1ccc(-c2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)sc2C)cc1	503878136	VMNVECIHMQANRX-UHFFFAOYSA-N	414.530	5.533	30	20	HKED	
Cc1nc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc1SCC#N	504701248	UEDPQYDCJSWPPE-UHFFFAOYSA-N	403.573	5.162	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1Cl	505641718	WVTISDCVPVYFTP-ZDUSSCGKSA-N	408.335	5.102	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc12	505922605	JMCXKBKNXWNWAT-AWEZNQCLSA-N	407.326	5.060	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	505982561	SQVZKEAVLHIBHE-ULQDDVLXSA-N	412.333	5.209	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(-c2ccccc2)cs1	506550237	PSINOHDHCULEST-UHFFFAOYSA-N	421.909	5.951	30	20	HKED	
CCCc1c(NC(=O)[C@@H](C)Cc2cncc3ccccc23)cnn1-c1cccc(C#N)c1	507606182	MNIJHBJUXFMSGS-SFHVURJKSA-N	423.520	5.062	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc([C@H](C)Oc2ccccc2C#N)n1	508667776	UOYUGOGRTRWAIQ-KXBFYZLASA-N	411.889	5.293	30	20	HKED	
CCN(C(=O)CCCOc1ccccc1Br)[C@@H](C)c1ccc(C#N)cc1	509581110	XYEZVXIVJJWJGV-INIZCTEOSA-N	415.331	5.089	30	20	HKED	
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	509841295	YHECNXOCRJILKZ-VWNXMTODSA-N	419.544	5.099	30	20	HKED	
N#Cc1cc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1OCC(F)(F)F	510343112	RKDXPDUMGPFCOJ-UHFFFAOYSA-N	423.822	5.349	30	20	HKED	
COc1ccc(CCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1F	511083797	WVWBCPDVPXVSCG-UHFFFAOYSA-N	406.482	5.104	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1	511725665	CEHOVIUOXOBXAP-FQEVSTJZSA-N	424.859	5.061	30	20	HKED	
CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccccc1	513645911	RGCQTLNDDMSKSY-UHFFFAOYSA-N	416.546	5.438	30	20	HKED	
CN(CCC1CCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	513982372	BPNJJOISMQXQOE-UHFFFAOYSA-N	405.542	5.766	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4ccccc4)oc3C)n2)cc1	516269978	IDLBSJPXSJQMKB-GOSISDBHSA-N	415.474	5.272	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)Cc1ccccc1Cl	517532571	MJZYBSWPBZMGJA-OAHLLOKOSA-N	401.963	5.877	30	20	HKED	
COc1ccc(CNC[C@@H](C)c2c(Cl)cccc2Cl)cc1OCCCC#N	517550579	FEBHNQPJQDXUJM-OAHLLOKOSA-N	407.341	5.578	30	20	HKED	
Cc1cccc(OCCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519051944	BPCFKYGTXXUYSO-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)c1cccc(C(F)(F)F)c1	520271457	PQWXMYZRJTWVNQ-OAQYLSRUSA-N	416.443	5.340	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	521185734	CABZBHMWEDSRJG-UHFFFAOYSA-N	414.767	5.231	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1c(Cl)cccc1Cl	521811262	ADPXBVFXINTPGR-ZDUSSCGKSA-N	408.354	6.052	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1	522074351	CVRALWOFPJENFJ-UHFFFAOYSA-N	404.297	5.377	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1	522850885	ROBVFZYLLOJJBT-UHFFFAOYSA-N	409.436	5.050	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2F)n1	523247960	DLNJNHZFIGJXNH-OAHLLOKOSA-N	422.506	6.119	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2	523323671	GXLYEUSMHILFCS-CCEZHUSRSA-N	419.887	5.500	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(F)cc1C(F)(F)F	531682269	SKVSIZRTNBAVTP-LLVKDONJSA-N	422.344	5.370	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(C)n1[C@H]1CCC[C@@H](C)C1	534607278	PQZGITAAEZPKQY-RYRKJORJSA-N	418.632	5.095	30	20	HKED	
CSc1cccc([C@@H](NC(=O)c2ccc(CC#N)cc2)c2ccc(F)c(F)c2)c1	534673975	CPJWHJDEZFWFLH-JOCHJYFZSA-N	408.473	5.272	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	537160494	UGTTXECFJIHKJV-UHFFFAOYSA-N	409.555	5.055	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)[nH]c12	538578893	PPTYONQSQYKSBA-CQSZACIVSA-N	424.291	5.162	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1	540375793	KWONBLZWFVQGKZ-FQEVSTJZSA-N	409.942	5.175	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1	541768526	KMTLFQBRPJDFIR-CYBMUJFWSA-N	411.914	5.302	30	20	HKED	
CC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	542943022	DTBHFCGHYOBJAI-ROUUACIJSA-N	411.505	5.106	30	20	HKED	
COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1	544251475	WLRTVMOTQNUEAN-KBMIEXCESA-N	411.505	5.105	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)C1	552418171	NNNYBWJGXVHEFT-YGOYTEALSA-N	407.276	5.404	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O	553129866	WJHBKCARLGFQNF-ZEQRLZLVSA-N	423.472	5.331	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nn1C(F)F	556504884	XNUXJYSFIRYRSA-BPQCLDNESA-N	416.497	5.001	30	20	HKED	
N#CCCN(C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1ccc(F)cc1	574748587	DAZROUUNTHHYTO-UHFFFAOYSA-N	403.388	5.333	30	20	HKED	
C=CCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1	588021430	TUBRNGPNFQOIBN-INIZCTEOSA-N	410.461	5.307	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2cccc(OCc3ccccc3)c2)c(Cl)c1	588165708	ICVKSOFHTRZYCG-UHFFFAOYSA-N	411.288	5.374	30	20	HKED	
C=C(C)COc1cccc(N[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1	589633357	PXEMYFAXPYFOGQ-VWLOTQADSA-N	416.521	5.750	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2C(C)C)cc1	592973610	IDHMQLKVVLYRKQ-QGZVFWFLSA-N	418.497	5.543	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)n1	598661961	PPTDTWKTQNVAGN-UONOGXRCSA-N	419.472	5.129	30	20	HKED	
CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(C#N)c(Cl)c1	603750929	RYHCQZPEBFDUDS-UHFFFAOYSA-N	412.877	5.090	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1	609356573	MBZPVMVPDOHZQR-VWLOTQADSA-N	411.505	5.076	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	609378677	ZEKZFTDLSOWSMO-IRXDYDNUSA-N	420.456	5.462	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	609514176	GQDDLUVZMRCPIY-RUZDIDTESA-N	412.489	5.531	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)oc1C	609642759	KPJWKRFVFUFDDZ-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1c[nH]c2ccc(F)cc12	609644387	QUAPDRSOCYDUES-UHFFFAOYSA-N	421.419	5.513	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1	609930266	XGFAZRCZPMSYSL-VGSWGCGISA-N	402.523	5.387	30	20	HKED	
CCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21	613320477	ZKUULEQNMMEPDH-QGZVFWFLSA-N	405.910	5.928	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	617504091	IMQYGTBHTVXRHN-UHFFFAOYSA-N	422.488	5.817	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	620304123	CIFZMUYONCTFKQ-LBPRGKRZSA-N	409.244	5.885	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)Cc2ccccc2F)cc1	621794636	FJOXERPYJFUNIE-UHFFFAOYSA-N	409.505	5.084	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	622548159	SEBBIOHDGSWCEX-NSHDSACASA-N	407.276	5.527	30	20	HKED	
C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1	669817012	DJMNZTDYEYLCOO-KRWDZBQOSA-N	424.508	5.138	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)nc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	677778357	BETZMPJXFXUSSS-HTQZYQBOSA-N	423.279	5.131	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ccn(C(F)F)n1	678845530	DBSJRIMPVWVBJN-UHFFFAOYSA-N	419.297	5.204	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCc1c(F)c(F)cc(F)c1F	683570079	YOVOLKLYIFBKAJ-CQSZACIVSA-N	408.317	5.044	30	20	HKED	
Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C2CC2)n1	685784413	HMFPSBBLPFMCQR-ZDUSSCGKSA-N	417.321	5.218	30	20	HKED	
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(SC(C)(C)C)cc1	726846793	ZHVZWPSCIRWPLV-UHFFFAOYSA-N	410.587	5.045	30	20	HKED	
Fc1ccc(-c2nc3c(s2)C(=NNc2c(F)c(F)nc(F)c2F)CCC3)cc1	727683617	MYDUKLXAXUPSCA-UHFFFAOYSA-N	410.371	5.053	30	20	HKED	
CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1	728849901	HHGDCGZQFUMTKC-CZIZESTLSA-N	424.548	5.211	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1sccc1SC(F)F	730662303	WCZAFBIPQCPWKU-UHFFFAOYSA-N	415.508	5.136	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1cc(-c2cccs2)nc2ccccc12	731840296	YZGLHYDPKUMVEQ-UHFFFAOYSA-N	414.490	5.293	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	731988161	IGUASTMDZGSHIM-UHFFFAOYSA-N	419.440	5.167	30	20	HKED	
CCN(CCc1ccccn1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	735040412	NUUKZXKSEYNJIU-UHFFFAOYSA-N	405.885	5.104	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)c3ccccc3OCC#N)cc2)c1	737638119	RMKCHWMWDKBWMM-UHFFFAOYSA-N	414.505	5.852	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(Oc4cccnc4)cc3)c2)s1	739597631	AKFIRJZBPBLYTO-UHFFFAOYSA-N	411.486	5.404	30	20	HKED	
C#CCCOc1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	742710085	HLGVCCDTTNJYNM-UHFFFAOYSA-N	416.468	5.521	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1F	742964090	XASNRTASIMDWRG-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2)cc1	747377370	VMCWSXXMOFCADN-NRFANRHFSA-N	412.880	5.433	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccc(C#N)c2)cc(Br)c1OC(F)F	750906882	SKWVUQBCESNLPE-SREVYHEPSA-N	422.225	5.217	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)Cc1cccc(OCC#N)c1	760392630	URRRMMTYSBCDDU-LJQANCHMSA-N	400.478	5.219	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)c(Br)c1O	761011771	OWLYURZSQRWCBW-VURMDHGXSA-N	410.267	5.121	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)CSc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	763966638	BOKASJYQCNIILB-CQSZACIVSA-N	412.898	5.572	30	20	HKED	
Cc1onc(-c2ccncc2)c1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	767098325	NJDDHTCTNLZAPA-UHFFFAOYSA-N	423.472	5.102	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4cccc(C)c4)o3)o2)cc1	768462269	QBFVWOTVNROLLK-OAHLLOKOSA-N	420.494	5.513	30	20	HKED	
Cc1ncc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	772419899	GFLWVLNMNWCZIL-IBGZPJMESA-N	410.930	5.125	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1Cl	772800895	LGRLXPAAAPIRGB-UHFFFAOYSA-N	421.835	5.225	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1	778217856	KQTDPYKHZYNPCF-UZUQRXQVSA-N	421.541	5.492	30	20	HKED	
Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)N[C@H](CCC#N)c1ccccc1	779135161	AACWOZWPXJYCQG-XMSQKQJNSA-N	408.546	5.110	30	20	HKED	
COc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	780678225	LVNMCVWTZPIDAI-QGZVFWFLSA-N	417.465	5.100	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(OC(F)F)c(Cl)c2)c2ncc[nH]2)c1	787167905	GGSLLPIHVIIZHU-OQLLNIDSSA-N	404.800	5.097	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	789456197	OCNUZBLGQWYXGN-UHFFFAOYSA-N	423.532	5.234	30	20	HKED	
CCOc1c(Cl)cccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	791784290	QWROQCHTANVKPO-KRWDZBQOSA-N	421.909	5.153	30	20	HKED	
Fc1ccc([C@H](NC(=S)NCCCCC(F)(F)F)C(F)(F)F)cc1Cl	794988288	LKFOLRHUNSPMKW-NSHDSACASA-N	410.786	5.279	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/Sc3cc(F)ccc3F)n2)cc1	797944205	AJSCFXACQJTNFJ-KXPUMZMLSA-N	423.469	5.442	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	799919891	XAQGIHIHBULRIW-UHFFFAOYSA-N	402.406	5.138	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)CC1	800119811	ZNKHFBUTRHODGB-LUAWRHEFSA-N	417.509	5.046	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	802044976	BSDUEDBRXOOURT-RHSMWYFYSA-N	409.436	5.250	30	20	HKED	
COc1ccc(OCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915087758	XGTUMIWVYPISQG-XMMPIXPASA-N	400.478	5.148	30	20	HKED	
CC(C)CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	916919773	ZUAIXAIVTPKQEN-QFIPXVFZSA-N	400.478	5.226	30	20	HKED	
CCOc1cccc2c1OCC(C(=O)[C@@H](C#N)c1nc(-c3ccc(C)cc3)cs1)=C2	916974627	OHCQRMULMFVNHB-LJQANCHMSA-N	416.502	5.170	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2cccc(F)c2)sc1=S	917458273	ZWDVHMKYPVYHBB-UHFFFAOYSA-N	413.547	5.298	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2cc(-c3ccccc3)cs2)cc1	917518250	XEJDXCVAXMTYBG-VAWYXSNFSA-N	400.503	5.624	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3C)CCC2)cc1	1789624061	GQUQUVVFQCNYOA-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccccc2CC)cc1	10173546	HIIVUAKSIUWJBD-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccccc2OCc2ccccn2)S1	25174884	GBUKANIHZKTASX-KGENOOAVSA-N	415.518	5.169	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C(O)=N/c1nc(-c2ccccc2)cs1	29240806	DYUGPIJDBYFMKV-UHFFFAOYSA-N	402.479	5.084	30	20	HKED	
COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC[C@H](C#N)CCC#N	53727058	CRCGCIQTDIESEM-SFHVURJKSA-N	413.477	5.231	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)S[C@H](C)c1ccc(Cl)cc1	62698123	FXFUIBPZISJRAV-HZPDHXFCSA-N	402.947	5.478	30	20	HKED	
CC1CCN(c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2[N+](=O)[O-])CC1	78668718	ROXYLOMOQYTWBD-UHFFFAOYSA-N	424.526	5.089	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1	108619962	YFQIHWNFOHSLJP-UHFFFAOYSA-N	424.323	5.314	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl	303270362	HEVIGNVBJUDVCD-UHFFFAOYSA-N	406.917	5.102	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)cn1C(C)C	315645610	WWKFQUWUAKRTBC-UHFFFAOYSA-N	401.757	5.375	30	20	HKED	
C=CCN(C(=O)c1ccc(Br)cc1F)c1nc(-c2ccccc2)cs1	327035077	SMRNBVSFKZNRLK-UHFFFAOYSA-N	417.303	5.545	30	20	HKED	
C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cc2ccccc2s1	428711994	RQTYKVGMOQZHMD-MRXNPFEDSA-N	400.507	5.169	30	20	HKED	
CCCN(C)C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	429094053	CVIPSUPSRALNIR-AVRDEDQJSA-N	424.976	5.191	30	20	HKED	
N#Cc1cccc(NC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1	432951162	SGBWPVNDRZVPHD-UHFFFAOYSA-N	400.225	5.091	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3noc(-c4ccc(F)cc4F)n3)c2)c1	435886940	DIEHMYXJCOANQD-UHFFFAOYSA-N	418.403	5.078	30	20	HKED	
Cc1cccc([C@@H]2CCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C	438056179	QNWPNWHHYKRQEV-AVRDEDQJSA-N	407.583	6.457	30	20	HKED	
C=CCn1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccc(C)cc1	446068498	FJMNRYDIBYHCKI-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
CCC[C@@]1(COC)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	446128286	VTKHYRHBFFYCSY-VWLOTQADSA-N	421.541	5.145	30	20	HKED	
C=CC[C@H]1N(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)CCCC1(C)C	447621336	UMSHEBHKQYVHOV-HSZRJFAPSA-N	416.521	5.527	30	20	HKED	
C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(COC)o1	460934553	SKISKCWTFOXXNZ-QFIPXVFZSA-N	420.557	5.110	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]nc1-c1ccccc1	463482967	DPOXUWAGSPWPFS-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)cc1	464920555	DCSQMMHSUODRQS-UHFFFAOYSA-N	418.537	5.613	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc4cc[nH]c34)cc2F)c1	466551024	LZXRVZABRJYXGS-UHFFFAOYSA-N	414.440	5.079	30	20	HKED	
Cc1coc(-c2cccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)n1	467990395	LERRSTSRZLHJBO-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(Cl)c(F)c2)cc1	468270124	KLRCUAYXHTVXLR-UHFFFAOYSA-N	408.860	5.305	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	469027150	SWGDTKPDVAIFKN-UHFFFAOYSA-N	423.904	5.045	30	20	HKED	
CC(C)n1nc2c(c1NC(=O)c1ccc(Sc3ccccc3C#N)cc1)CCC2	471674824	XHDNJNXIRSTMSV-UHFFFAOYSA-N	402.523	5.228	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1)c1ccc(F)c(F)c1	477735225	BGTCIFFZXABYBK-PKTZIBPZSA-N	407.464	5.374	30	20	HKED	
CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CCC2	478714978	PUNGFHSRIQJWIV-OAHLLOKOSA-N	408.449	5.137	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	480356668	OVNCIFKQUTWWRY-WPRPVWTQSA-N	418.309	5.084	30	20	HKED	
C[C@@H](Sc1ccccc1Br)C(=O)N(CCC#N)c1ccc(F)cc1	480948516	BHYAJDUWFNZFEZ-CYBMUJFWSA-N	407.308	5.016	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccccc1C	481392221	SUDJVUOEWPSUIZ-UHFFFAOYSA-N	402.523	5.695	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c(F)cc(F)cc4C3)cc2)cc1	482926311	HJOFFJHNSIGQAU-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1	482936080	XDKCVOAFVLXANW-OFNKIYASSA-N	421.541	5.161	30	20	HKED	
C[C@H](N[C@H](C)c1ccc2ncsc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	485827349	FUELAFITEUJWOR-KGLIPLIRSA-N	424.595	5.176	30	20	HKED	
CC(C)CCn1ncc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C(C)C	487634153	MITUMRGUWIXFIB-IRLDBZIGSA-N	407.562	5.356	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1	489906477	HMCSEULLKNOMMQ-UHFFFAOYSA-N	408.517	5.210	30	20	HKED	
CC(C)(CCC#N)CNC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1	498414299	JIMBUTUCOGDWIY-UHFFFAOYSA-N	420.435	5.022	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	500253925	ZHBOMWDSJAVMTE-VXGBXAGGSA-N	421.312	5.316	30	20	HKED	
C=CCN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc(-c2ccccc2)cs1	502560262	JWFIQTZCGHATNH-NRFANRHFSA-N	404.535	5.537	30	20	HKED	
C=CCn1c(SCc2cnc3c(cnn3C(C)C)c2)nnc1-c1cccc(C)c1	504269971	DOCQKNKBNPGZLO-UHFFFAOYSA-N	404.543	5.057	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1ccccc1F	505933068	DXCBUNVZZFGCID-NRFANRHFSA-N	415.399	5.281	30	20	HKED	
C[C@@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1ccc(C#N)cc1	507846900	XQWQREOCDRMZGS-OAHLLOKOSA-N	400.869	6.120	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](CC(F)(F)F)C1	508745094	DVWZRQNCROXGFG-CYBMUJFWSA-N	416.900	5.189	30	20	HKED	
C=CCOc1ccc(CNC(=O)N(CC)Cc2cccc(-c3ccncc3)c2)cc1	509355145	VSODCJMWZQYRQI-UHFFFAOYSA-N	401.510	5.045	30	20	HKED	
C=CCn1c(Sc2nc([C@H](C)OC)ns2)nnc1-c1ccc(C(C)(C)C)cc1	509715173	UROZAIVNFPPEDK-ZDUSSCGKSA-N	415.588	5.139	30	20	HKED	
Cc1ccccc1CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510004252	FEOFDWHMUSRVIR-JOCHJYFZSA-N	403.913	5.968	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1	511340593	MBCMYBJULIVXJH-QFIPXVFZSA-N	419.912	5.167	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCc3ccccc3[C@H]2c2ccccc2)c1	512655523	VASKGEKGSGQOKH-HHHXNRCGSA-N	410.517	5.282	30	20	HKED	
Cc1nc(SCC(=O)Nc2sccc2C#N)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	514931465	XHDYXXPPUNDXLU-OVWQWFNUSA-N	414.600	5.161	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c2)cc1	517903295	GKLHFAFHPHCHKX-QHCPKHFHSA-N	417.465	5.157	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	518164449	CIADLGSCUDVCOE-XUWXXGDYSA-N	419.472	5.635	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(C(F)(F)F)c1	518666815	JUYXEQMMWADSMO-AWEZNQCLSA-N	424.513	5.829	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	520130672	YBVRVJGJEFHKTE-OAQYLSRUSA-N	415.537	5.162	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-]	520324944	VLLPEJOURRAFTG-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccccc2SCCC#N)c2cnn(C(C)C)c2n1	520804408	LBRFNJGZODMTBL-UHFFFAOYSA-N	407.543	5.394	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1	520854265	JMWRVXHRMWMIOH-VMRPVKRXSA-N	413.518	5.119	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	521016097	GWQFVVKMFCABPL-VBKZILBWSA-N	403.309	5.193	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(-c2nc(-c3cc(O)nc4ccccc34)no2)cc1	521113471	JFPPPAVJBSZQDE-UHFFFAOYSA-N	424.391	5.460	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1	523882708	WDXSHWJTVJAMNI-UHFFFAOYSA-N	422.853	5.368	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	524565666	CNHYPPXCIUXHFQ-OAHLLOKOSA-N	422.579	5.692	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C(C)C)cc1	527229855	GRSMJPCDCRHAPL-UZUQRXQVSA-N	422.573	5.098	30	20	HKED	
CC(C)Cn1cc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C(F)F)n1	535611399	AFDILBYDKPUKBP-CYBMUJFWSA-N	407.490	5.515	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCc3nnc(-c4ccc(C#N)cc4)o3)s2)cc1	541661115	PFUZPICNNDHBEU-OAHLLOKOSA-N	415.522	5.199	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1ncc(C#N)cc1Cl	542459306	ZJPIRRNKGDHJIG-UHFFFAOYSA-N	422.872	5.583	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)c1	543618834	XIFMGUCRNSMMQQ-AOYPEHQESA-N	416.496	5.286	30	20	HKED	
N#Cc1cc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)ccc1Cl	544873621	MEKSNACFNFGPNN-LJQANCHMSA-N	424.863	5.158	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Cc2ccccn2)ccc1C	549055212	PIWMELHVMACPIQ-UHFFFAOYSA-N	401.510	5.210	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	554365336	HJQCKKYHIYDJPU-UHFFFAOYSA-N	424.545	5.506	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(COCc2ccco2)c1	554400692	BLIQOQGNJNZQJC-UHFFFAOYSA-N	422.529	5.384	30	20	HKED	
Cc1ccc(Oc2ccc(NC[C@@H](C#N)CCC#N)cc2Cl)c(Br)c1	554551422	AYNQEFCKBCXTBO-CQSZACIVSA-N	418.722	6.059	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCCc3c(Cl)ccc(F)c32)o1	557800073	NWKVGOXVTXPXSF-UHFFFAOYSA-N	410.832	5.116	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	558383129	VMHWGGSUKPNHCI-UHFFFAOYSA-N	414.525	5.535	30	20	HKED	
Cc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)c(C)c1	580382387	RXUMTTVSHSMXIS-LJQANCHMSA-N	412.493	5.384	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1csc(C)n1	580485121	PXVGPOBNGGBDTE-FXAWDEMLSA-N	423.586	5.327	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1	583457361	AKRXFQJSEGJBHR-LXGCGDOSSA-N	415.946	5.386	30	20	HKED	
Cc1noc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	583650359	ZOEUCJRZBSDRJD-AZUAARDMSA-N	421.888	5.056	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccccc3)cn2)cc1	590106637	HNLUPSOPIKUXAY-QHCPKHFHSA-N	410.477	5.505	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1	606348794	WPZJXVRFKJZBGM-CQSZACIVSA-N	405.420	5.145	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(OC(F)(F)F)cc1	608936156	UEMLTNWCXBOIBY-UHFFFAOYSA-N	404.432	5.074	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cn2)cc1	608937778	MBHCAXCCGZDICL-UHFFFAOYSA-N	423.394	5.435	30	20	HKED	
COc1ccc(Cl)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609106131	IOOVCBDAVWHIOS-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
N#CCn1c(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc2ccccc21	609330903	JDKXGUPTQAWXBK-AREMUKBSSA-N	421.500	5.009	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1	609376704	IPKGGVFURPFLEM-GOSISDBHSA-N	402.519	5.770	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	609398782	QEUDMEHMJVTVCL-YLJYHZDGSA-N	409.555	5.706	30	20	HKED	
CSCc1c(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)oc2ccccc12	609414898	ILQBWIVNQDBHIX-INIZCTEOSA-N	420.412	5.189	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	609437064	NONKCSWXUKPZER-SFHVURJKSA-N	406.555	5.643	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCCc4cc(F)c(F)cc43)c2)c1	609641865	GDQKYLSKVCQSGZ-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
CC1(C)CC(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC(C)(C)N1	609742709	UCUPMPAMMZTUJC-UHFFFAOYSA-N	411.933	5.043	30	20	HKED	
O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	614343965	PPUKVGYQJFHUML-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(OC(F)F)c(F)c1	622572343	FBHJBBYHHXSZOM-UHFFFAOYSA-N	415.236	5.300	30	20	HKED	
CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1	642281448	IWQJGZOTJJWDDE-XOQVKLMPSA-N	419.550	5.059	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1	677570669	NSIASWDFSRUUKF-SFHVURJKSA-N	413.506	5.004	30	20	HKED	
Cc1cccc(COc2ccc(C(=O)/C=C\c3cn(C)nc3-c3ccncc3)cc2)c1	727655236	UJUQZEJLELBMKJ-FLIBITNWSA-N	409.489	5.266	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)c1ccccc1	730685043	GPZOWPCFEMQDFT-NLFFAJNJSA-N	409.489	5.132	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F	731409972	BDJKXIQSVAIRGK-QFBILLFUSA-N	402.425	5.069	30	20	HKED	
CCN(C(=O)c1ccccc1COc1cccc(C=O)c1)[C@H](C)c1ccc(C#N)cc1	731616318	JKLIZLITXHMUAR-LJQANCHMSA-N	412.489	5.173	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Oc3ccccc3Oc3ccccn3)cc2)nc1	731983471	KZCBVJUVSLYYCV-UHFFFAOYSA-N	409.401	5.152	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1	732427886	LYNHFEVRJZDGRO-HJPURHCSSA-N	419.456	5.042	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccnn2C2CCCC2)c1	734994523	XNPUSTMTEKXLRN-UHFFFAOYSA-N	406.873	5.568	30	20	HKED	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	735115886	RZLQPATUQSYRFM-AWEZNQCLSA-N	422.868	5.209	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H](c3ccccc3OC)C2)c1=S	738284883	INXKTJAWMZMMEC-FQEVSTJZSA-N	420.582	5.031	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1	739304889	QGKDVDSNZAYFOA-GJZGRUSLSA-N	410.470	5.201	30	20	HKED	
COc1ccccc1C/C(C)=C\C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739599630	NRIZUVQYWOEIEH-LGMDPLHJSA-N	402.519	5.101	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc2cc(F)ccc2o1	741756136	ATKCLSQDVJGGAO-UHFFFAOYSA-N	403.438	5.201	30	20	HKED	
C=CCn1c(SCc2ccc(OC)c(SC(F)(F)F)c2)nnc1C1CC1	741848025	PYVQDRIQMBTYTE-UHFFFAOYSA-N	401.479	5.254	30	20	HKED	
COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	743294600	QFVSFHAXPVTZAO-KBMIEXCESA-N	413.521	5.493	30	20	HKED	
N#C[C@H](C(=O)[C@H]1SCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	744074302	MRZBUGSLQULXBS-VLIAUNLRSA-N	412.486	5.295	30	20	HKED	
COc1cc(C(=O)/C=C/c2csc(-c3ccccc3)n2)ccc1SC(F)F	746347379	ZRVIRJXTQJKAIO-CMDGGOBGSA-N	403.475	6.030	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C(C)(C)C)nc2C#N)o1	746497581	ALIDKYUMGKNDSJ-UHFFFAOYSA-N	414.469	5.044	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2cccc(F)c2)CC1	752326899	FZJUGDJLCOQOAB-KRWDZBQOSA-N	411.546	5.038	30	20	HKED	
Cc1cc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)s1	753396807	QQKPAMUPOJJIAU-IBGZPJMESA-N	405.548	5.559	30	20	HKED	
CC[C@H](Cc1ccccc1Br)C(=O)[C@H](C#N)c1nc(C(C)C)cs1	757902805	JYLVLWJRYNOALR-HIFRSBDPSA-N	405.361	5.474	30	20	HKED	
C=CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1F	758279892	ABSMQOYMXPQLTK-UHFFFAOYSA-N	415.424	5.061	30	20	HKED	
CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](c1ccc(Cl)cc1)C(F)(F)F	758449050	MDSXVQPAUKOJRC-OAHLLOKOSA-N	418.271	5.797	30	20	HKED	
C=CCC(CC=C)C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	759007115	KNCSNVYQBAISQT-UHFFFAOYSA-N	411.112	5.550	30	20	HKED	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C\C(=O)c2ccc(OCC#N)cc2)c1	759666006	KCPOVCNOCHTPFY-RAXLEYEMSA-N	415.493	5.112	30	20	HKED	
N#C[C@H](C(=O)COC/C=C/c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	763475840	IZWUXCOTMLARDZ-ZLHKHBAESA-N	408.910	5.370	30	20	HKED	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	765591518	WJDNWSWJTQBPGL-XLIONFOSSA-N	419.506	5.472	30	20	HKED	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	765591519	WJDNWSWJTQBPGL-YLJYHZDGSA-N	419.506	5.472	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(SC)cc2Cl)cc1OCCCC#N	765606225	RTKIZBOUJNGULJ-WEVVVXLNSA-N	401.915	5.649	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)n2)c1	766844000	SWEULZCRUZYZAZ-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2c(F)cccc2Cl)cs1	769827159	PUWFGLRUMXWLAN-UHFFFAOYSA-N	406.845	5.205	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c(Cl)c1	770005080	RZSUDNAPDGXGQC-UHFFFAOYSA-N	408.241	5.204	30	20	HKED	
C=CC[C@H](NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1ccncc1	771324702	QTDUADVCFWFDHY-OALUTQOASA-N	421.488	5.217	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc(-c2cc3ccccc3n2CC#N)n1	779593249	PVBVLCMQLLRKBS-SFHVURJKSA-N	421.501	5.067	30	20	HKED	
CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	785837337	NPSADBBEJDHKEM-XMMPIXPASA-N	408.505	5.877	30	20	HKED	
CC(C)(C)c1cnc(/C=C2/COC/C(=C\c3ncc(C(C)(C)C)s3)C2=O)s1	790600963	PIBVNCYWZIKDEM-MFUUIURDSA-N	402.585	5.261	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)c(Cl)c1	796897849	AQAJFTUZAMKKRX-INIZCTEOSA-N	414.889	5.680	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1COC(=O)NC(C)C	806452284	VBQRSKPVBZUALY-LJQANCHMSA-N	401.551	5.060	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1c[nH]c2ccc(Br)cc12	811697427	KPTPYGSZUZDCLF-RQOWECAXSA-N	410.296	5.345	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2)n1	915100597	WHSJVDOJASVVKM-QGZVFWFLSA-N	418.547	5.121	30	20	HKED	
Cc1ncsc1C(=O)/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	915987391	CAKZHDXMRXAISN-VMPITWQZSA-N	417.317	5.907	30	20	HKED	
Cc1ccc(C)c(-n2nc(C)c(/C=C\C(=O)c3ccc(OCC#N)cc3)c2Cl)c1	916151875	GIQBMXGVARVOHQ-KHPPLWFESA-N	405.885	5.249	30	20	HKED	
FC(F)(F)c1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1	916276645	FEPSXHUDTPIMDX-UHFFFAOYSA-N	417.243	5.442	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)Nc1ccccc1	916899830	GMTCMTZQLUMSRJ-KSEUIEODSA-N	406.894	5.429	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)oc2c1ccc1ccccc12	916916479	UDYMLFYTZBDZAO-JOCHJYFZSA-N	418.452	6.009	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917045925	CVMVZIWFBOGYCJ-AWEZNQCLSA-N	411.845	5.542	30	20	HKED	
N#C[C@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc2cc(Cl)ccc2s1	917046484	DOPYEGFJETWHMW-MRXNPFEDSA-N	423.950	5.416	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2c(C)cccc12	920109601	GTGFEDBCNYJAPR-CQSZACIVSA-N	401.249	5.318	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	920110285	OANQBQGVYSHAHY-KRWDZBQOSA-N	419.308	5.199	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1	1789626281	INRSVRSSRCGDSZ-UHFFFAOYSA-N	414.933	5.673	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1	1830598583	FYNSTZJWPDXGSF-NQIIRXRSSA-N	416.993	5.094	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1	7744199	JJRJIBCJZBIWBG-VAWYXSNFSA-N	407.901	5.056	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(O)c2)c(C)c1	10168460	RDHLTQZNIAIKOL-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(N(C)C)cc2)cc1	10173334	AUHRKTGAOZFNPV-UHFFFAOYSA-O	424.615	5.078	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)/C=C/c2ccccc2C#N)c2ccccc2)c1	11183812	ZIQDBQPWFQNBLQ-LECGRMGRSA-N	410.473	5.112	30	20	HKED	
C=CCSc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1	20027078	USNJNSNVZHQZTF-UHFFFAOYSA-N	418.518	5.235	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nncn2CCc2cccs2)cc1	22417404	QTBCLVSXRZCRLB-UHFFFAOYSA-N	402.548	5.413	30	20	HKED	
C[C@H](Cc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)o1)c1ccccc1	23453978	ROHMXESLJXTPLY-GOSISDBHSA-N	411.530	6.247	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3cccs3)nc2C)cc1	65870022	PJTRVDRFYHDWOF-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(F)cc3)s2)ccc1OC	236896310	KNVDNFZKHGODKD-LJQANCHMSA-N	410.514	5.534	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	426229941	JEXXCBKSMZSBAM-LKFCYVNXSA-N	405.392	5.118	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(c3ncccc3Cl)CC2)cc1C(F)(F)F	429757764	NVXGBVRVKOCSMX-UHFFFAOYSA-N	408.811	5.037	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ncccc2Cl)CC1	429763011	XGLVOMKXVJJQMU-OAHLLOKOSA-N	414.962	5.541	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(c3ccncc3)CC2)cc1Cl	430424801	JVPGDASSCRGPCD-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)c4cccc(SCC#N)c4)CC3)c[nH]c12	431167892	MTNUOLYVUBJRFU-UHFFFAOYSA-N	403.551	5.366	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl	432093742	FACKBJJRDAVOHC-MLGOLLRUSA-N	424.353	5.100	30	20	HKED	
Cc1c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cccc1OCC(F)(F)F	432864571	FZFOOQLOIPKRON-SFHVURJKSA-N	405.420	5.493	30	20	HKED	
N#CCCC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1	433020357	RSCVBPYXGOGMSS-SANMLTNESA-N	406.533	6.064	30	20	HKED	
CSc1cnn(-c2ccccc2)c1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433264694	BTXTYCWSRDSTGT-IBGZPJMESA-N	405.527	5.151	30	20	HKED	
N#CCCn1cc(CNc2cccc(CCCc3ccccc3)c2)c(-c2ccncc2)n1	433330276	BAGHDVGFADBMMS-UHFFFAOYSA-N	421.548	5.646	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1	437585062	ZRWPFZMXPNIVEP-MRXNPFEDSA-N	419.912	6.112	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438668359	FONUTOYRRADCFP-HXUWFJFHSA-N	404.445	5.500	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC(Sc4ccc(Cl)cc4)CC3)o2)c1	441420300	ZFISFUIVAFNQNJ-UHFFFAOYSA-N	410.930	5.018	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@@H]1CCN(CC)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1	442286273	SWZHJABPPYUJGC-DBVUQKKJSA-N	411.512	5.227	30	20	HKED	
CC(C)[C@@H](NC(=O)CS[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2	446703641	ANIMDHYJFBDATH-MZNJEOGPSA-N	424.566	5.027	30	20	HKED	
CC[C@@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(C#N)cc1	447528480	JGGVQFQUZISOPI-IQGLISFBSA-N	415.512	5.680	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1	462042371	VBXOQCOKRKFKGX-INIZCTEOSA-N	404.441	5.027	30	20	HKED	
CSc1ccc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl	463527453	KMKYUUAFHBTCAO-GFCCVEGCSA-N	412.989	5.257	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1	463580903	CAIOMAPNDXLGRM-UHFFFAOYSA-N	422.275	5.060	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F	463926856	QPELLZITPMHGLD-MOPGFXCFSA-N	418.419	5.330	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1	465417884	RBXIEPSPGLDVBD-FQEVSTJZSA-N	406.445	5.036	30	20	HKED	
Cc1cc(NC(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)nn1CCC#N	470409264	QHAKRTFDPWRUAS-OAQYLSRUSA-N	419.916	5.090	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc3ncccc3c2)cc1	471256608	IQYDGXCVKPXJEV-UHFFFAOYSA-N	422.488	5.202	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1	474497451	OCFIMCNABRJOOM-QFIPXVFZSA-N	420.488	5.540	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC1	475122934	XLFPEPONFABWNH-QFBILLFUSA-N	400.444	5.845	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	475947896	UDLWFBDGKXTGGR-LJQANCHMSA-N	401.510	5.216	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)s1	476391867	LZUIYPVNAVRFRZ-AWEZNQCLSA-N	407.564	5.931	30	20	HKED	
Cc1cccc(Oc2cc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)ccn2)c1C	478279428	UXTLHVMWYJQMAW-UHFFFAOYSA-N	423.520	5.053	30	20	HKED	
C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](c2ccsc2)O1	478864216	AGDIIRKCQUEWBW-KSFYIVLOSA-N	404.491	5.014	30	20	HKED	
CC(C)Oc1cc(F)ccc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	479414150	PWUXZOLAKJHHHC-HNNXBMFYSA-N	402.491	5.025	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c12	483205487	ZGNZVCBPVFNEQS-GOSISDBHSA-N	422.444	5.644	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C	484834764	YKFUKLISWUPTBZ-UHFFFAOYSA-N	413.525	5.396	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1	486419903	ZXGCWWLMSCGMHM-WZONZLPQSA-N	411.567	5.020	30	20	HKED	
CCN(Cc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1)C(C)C	486555156	BJAPISVAUNIMCC-UHFFFAOYSA-N	407.602	5.242	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1cccs1	489460863	HWIOCKDMONHVDB-KRWDZBQOSA-N	416.547	5.087	30	20	HKED	
C[C@@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1	489480420	KVWYYWMNSFAAQZ-ACXJOVJBSA-N	421.544	5.733	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc(OC)c1OCc1ccccc1	494738522	MXZPZNKSHHPUPD-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
N#Cc1ccc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nc1	498155299	BBIRJIDLJPPRBZ-IBGZPJMESA-N	413.424	5.444	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c(C)c1	503362571	ZQPDMJACIVDNCX-IBGZPJMESA-N	422.598	5.502	30	20	HKED	
C[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	504563616	OMSZNBILLBHAJE-MRVPVSSYSA-N	416.350	5.298	30	20	HKED	
C=C(C)CCc1noc([C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)n1	508598160	FHYCRQSLHJOXQQ-XUZZJYLKSA-N	401.510	5.226	30	20	HKED	
COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(OC)cc1Cl	515316658	AKCDYSFEDKKMMD-UHFFFAOYSA-N	424.909	5.632	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc2ccccc2n1C(F)F	515540503	YMGNEOXQBRSYAI-OAHLLOKOSA-N	421.428	5.214	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(c2nc3ccccc3[nH]2)CC1	515542052	FRTZISLJMDQNGX-UHFFFAOYSA-N	405.864	5.159	30	20	HKED	
C=CCN(C(=O)c1scnc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	515609390	BFWXTBOJQWJNFV-UHFFFAOYSA-N	417.559	6.075	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Sc2nncs2)cc1	516126127	YIUPJPSQCUIQTD-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	516883106	JDXUXEGBFQPHRL-UHFFFAOYSA-N	418.444	5.190	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	517335232	JZSKPJKZDRSRFV-ZEQRLZLVSA-N	412.489	5.197	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OCC(F)(F)F	518256591	HKZOJMSPDUHFHN-AWEZNQCLSA-N	423.460	5.344	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C2CC2)o1	518902179	UNSMHROVMCSOKE-ZHRRBRCNSA-N	413.477	5.267	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c3c2CCC3)c(C)c1	521659909	XIFRPSRLEAFPCX-KRWDZBQOSA-N	412.518	5.078	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccccc1	524100365	MAASREAOEQKDKV-UHFFFAOYSA-N	413.452	5.739	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F	525031999	HUMIQJWQNISTAA-IFMALSPDSA-N	418.443	5.466	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(F)cc1C(F)(F)F	531682270	SKVSIZRTNBAVTP-NSHDSACASA-N	422.344	5.370	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	534106063	SJITWTGWSLBVIU-SUMWQHHRSA-N	424.957	5.998	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1	535789844	FGNADGMBTDHZBY-HSZRJFAPSA-N	401.466	5.168	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	538526731	XQQUGVPFSJEGEH-XMSQKQJNSA-N	412.505	5.629	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccc(F)cc1	541075102	PBBBQMYGPTUWGV-CYBMUJFWSA-N	421.419	5.144	30	20	HKED	
FC(F)(F)c1cc([C@@H](NCc2cccnc2)C(F)(F)F)cc(C(F)(F)F)c1	543052689	PIKJYXGSEKBCKB-CYBMUJFWSA-N	402.260	5.512	30	20	HKED	
CCSc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1	543573614	DQMJEINSTQJVOL-GFCCVEGCSA-N	401.463	5.085	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	544741647	KRPUOLCCQCXKMH-QFIPXVFZSA-N	406.526	5.117	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1	552219371	QHZAVMOFKCARBX-GHMZBOCLSA-N	421.303	5.661	30	20	HKED	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	562101257	BOMWEQRZGKADBS-NQSCKRDGSA-N	422.960	5.086	30	20	HKED	
N#CC[C@H](Cc1nc(Cc2c[nH]c3cc(Br)ccc23)no1)c1ccccc1	563918436	OBHWPKAJWMZXJI-OAHLLOKOSA-N	421.298	5.144	30	20	HKED	
C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@H]1c1nc2ccccc2s1	564688236	CHZCLUBALLWDBL-SFHVURJKSA-N	405.502	5.221	30	20	HKED	
COc1ccc([C@@H](CNc2c(C#N)nnc3ccccc23)c2c[nH]c3ccccc23)cc1	570011864	BVKQAKKNBOSUSW-OAQYLSRUSA-N	419.488	5.235	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1	573553052	QDFXKTJNWCFSRO-LJQANCHMSA-N	423.925	5.211	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2nc(C(F)F)sc2c1	573706446	XFXALIGDBQSBHT-UHFFFAOYSA-N	405.429	6.025	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](C2CC2)C(F)(F)F)cc1Cl	574237141	KMRDCCHEBHAJDA-SJLPKXTDSA-N	407.823	5.458	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F	576258542	BXRUIHBNGUNGNV-UHFFFAOYSA-N	423.375	5.027	30	20	HKED	
N#Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccc1OC(F)(F)F	583156273	PSIAJAGYCYXCTP-AWEZNQCLSA-N	421.341	5.043	30	20	HKED	
Cc1nsc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1C#N	587974312	OJZUIHQAMJWRLJ-OAQYLSRUSA-N	423.586	5.016	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603692553	KQKLGVVJGZUIOQ-UHFFFAOYSA-N	422.872	5.071	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	603693526	XWEHCIYCZSYJIT-QFIPXVFZSA-N	414.465	5.123	30	20	HKED	
CCN(C/C=C\CN(CC)[C@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1	604271988	IAFZYZMMJXCWFG-BOECQMNCSA-N	400.570	5.452	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	604457196	SWCRMQNSGXYKPU-GOSISDBHSA-N	404.460	5.244	30	20	HKED	
CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2SCCC#N)cc1	609378772	PSMBAJYAXSDJRW-UHFFFAOYSA-N	415.562	5.971	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1C	610054748	XUWLQVCHRFUMKO-UHFFFAOYSA-N	416.868	5.527	30	20	HKED	
N#Cc1nnc2ccccc2c1Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1	610128298	PYGKUMLNCJMAJG-UHFFFAOYSA-N	417.544	5.833	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)N(C)c3ccc(C#N)cc3F)c2)c1	610174069	GOLQTXOPBWZSKE-UHFFFAOYSA-N	404.510	5.883	30	20	HKED	
O=[N+]([O-])c1ccc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	610468417	QHVXEYLJAGSGCB-HTQZYQBOSA-N	410.236	5.181	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2n1	613291074	SEUBTWYFAZUSJY-JOCHJYFZSA-N	414.468	5.578	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)NCc1ccc(C#N)c(Cl)c1	619768570	ANQDSCWLNRHVMV-HNNXBMFYSA-N	424.957	5.546	30	20	HKED	
C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl	674439154	VZDSDOJYUMFOMQ-IVZWLZJFSA-N	420.756	5.312	30	20	HKED	
N#CC(CCN1CCC(C(=O)c2ccc(O)cc2)CC1)(c1ccccc1)c1ccccc1	683521239	RDFISPLFYUTPEN-UHFFFAOYSA-N	424.544	5.187	30	20	HKED	
COc1ccc([C@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Br	726447895	BIQCIAGTPYSJJE-JTQLQIEISA-N	424.751	5.030	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCc2cccnc2)cc1	726461111	LYCQUPRHQZNFAX-OAHLLOKOSA-N	422.941	5.233	30	20	HKED	
COC(=O)Nc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1F	727334192	GJMSAGVVNFSMMP-UHFFFAOYSA-N	421.453	5.279	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1	727589665	YJAZZGNEZYXSIK-VWNXMTODSA-N	415.468	5.087	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc2F)c1	728187028	PTXGVHUVIJVPGF-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1	728572647	AGVYXPWPXUUFLW-UHFFFAOYSA-N	403.551	5.452	30	20	HKED	
C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	731254114	HCDKKMFKLMHWLQ-OAHLLOKOSA-N	419.308	5.325	30	20	HKED	
N#C[C@@H](NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1	731644034	NEMWVSYCIXUMOE-CQSZACIVSA-N	408.335	5.076	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)c1C#N	733279305	BOLCJTGZMKOBDK-UHFFFAOYSA-N	416.506	5.301	30	20	HKED	
COc1ccccc1-c1ccc(CN(Cc2ccc(OCC#N)cc2)C(C)C)cc1	741797167	IABMWTLVYUXFLN-UHFFFAOYSA-N	400.522	5.675	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1	742858264	OCESKTQGEAODAI-UPHRSURJSA-N	419.287	5.538	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc3nc(C4CC4)sc3c2)cc1	743472460	GFYCCEYWJDCAKT-MRXNPFEDSA-N	404.539	5.229	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744036126	VXLAUHCHSAEFQG-BMGYJQCNSA-N	420.843	6.248	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCC2)n1	747194309	XYUKASPXNLDAMR-HNNXBMFYSA-N	403.345	5.327	30	20	HKED	
O=C(/C=C\c1ccc(-c2nc3ccccc3s2)o1)c1ccc(N2CCOC2=O)cc1	748584288	PINRVDRLTOPVGC-LUAWRHEFSA-N	416.458	5.409	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cccc1-c1ccccn1	754875720	FEMUPZRPAIOVJF-VWLOTQADSA-N	403.485	5.965	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1	756500855	JSEAJFJZOMUFML-UHFFFAOYSA-N	421.541	5.219	30	20	HKED	
CO[C@](C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1F	759434270	DOCFNHLARUJDPD-VFNWGFHPSA-N	414.889	5.341	30	20	HKED	
N#C[C@@H](C(=O)/C=C/SCc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1	759832445	CINQSJUHSUNZGB-DYLHUKMJSA-N	400.912	5.680	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1	765065985	SKNKUAYUGUKJQP-UHFFFAOYSA-N	416.908	5.002	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1	765622911	DUFFCTNGQHSCHS-NRFANRHFSA-N	408.417	5.051	30	20	HKED	
CCN(c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1)C(C)C	770098694	GPKIYYMMMLSMIJ-KRWDZBQOSA-N	418.324	5.189	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1NC(=O)OC(C)(C)C	772008823	YIJWTBZRSLANNM-UHFFFAOYSA-N	411.527	5.406	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1	773768975	HGWLFPNWSZKKCV-HXUWFJFHSA-N	406.894	5.452	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(F)cc2F)CCC1)c1nc2cc(Cl)ccc2s1	777303787	FVNANIOHGHDUIW-CYBMUJFWSA-N	402.853	5.526	30	20	HKED	
N#C[C@H](C(=O)CCCCC(=O)c1ccc(F)cc1)C(=O)Nc1cccc2ccccc12	778605721	HGTRANPDAKJLFO-OAQYLSRUSA-N	416.452	5.070	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	779740124	FBIVRDBXNWBAOP-LIRRHRJNSA-N	418.324	5.060	30	20	HKED	
CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1O[C@H](C)C#N	780146640	BMIBOQLIMXSSFD-OAHLLOKOSA-N	419.447	5.485	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	780164655	NIXQRAVQNJPOAA-OYHNWAKOSA-N	424.472	5.728	30	20	HKED	
CC(C)c1ccc(OC2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)cc1	780675284	PJPWHZODFNWTHQ-GOSISDBHSA-N	407.514	5.176	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)c2ccccc21	780738303	DJQKEFJJVXHRSA-FGZHOGPDSA-N	407.514	5.492	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)c3c[nH]c4ccccc34)n2)cc1	786358416	HEZLNLSYVKGPSD-BEFAXECRSA-N	415.518	5.670	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	789720188	VHJGPFNBADPJGM-UHFFFAOYSA-N	408.542	6.446	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@H](C#N)c1nccc2ccccc12	792092351	AXENZQLFGLMERI-LJQANCHMSA-N	418.859	5.071	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nccc2ccccc12	792092952	FNWMHLBCRHOXEF-IBGZPJMESA-N	403.894	5.431	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(O)c1	797616523	ZPVQQDOFXCTZDG-HXUWFJFHSA-N	421.884	5.031	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccccc2C#N)cs1	799500146	UBCGGZYHFOAWOX-DHZHZOJOSA-N	407.882	5.249	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)sc2ccc(Br)cc12	816045088	AVHLRDYQPUUIQO-AWEZNQCLSA-N	422.307	5.406	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc(Cl)sc2Cl)cc1Cl	821672118	YWIBUNXNRODXPM-CYBMUJFWSA-N	422.724	6.011	30	20	HKED	
COc1cc(C=NOCC(=O)Nc2ccccc2-c2ccccc2)ccc1OC(C)C	854087331	DGCBLHJFHNHKIH-UHFFFAOYSA-N	418.493	5.139	30	20	HKED	
CC(C)(C)Sc1c(Br)cccc1CNc1cccc(OCC#N)c1	863997823	JOZGZDOVENEMAK-UHFFFAOYSA-N	405.361	5.854	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1	914519063	ZZUKZUNRYKLUCD-UHFFFAOYSA-N	407.514	5.204	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc(C)n1	915103245	NKVBNZWCXAOGBF-OFNKIYASSA-N	421.953	5.446	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1	916134812	FWNZFMAANNCYMY-YIXHJXPBSA-N	406.825	5.397	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1	916627194	DRCCKEXPZKYTLY-FQEVSTJZSA-N	414.486	5.131	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1	916887037	KNGOHNBINNDEDV-QGZVFWFLSA-N	422.884	5.325	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3	916901126	ZBYQEHWZXKDMDT-OAQYLSRUSA-N	413.521	5.133	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1Cl	916937991	KBMLPQADPNCYJU-DBEXCURXSA-N	410.901	5.007	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CN3CCCCC3)cc2)cc1	916956154	YAVWXGZKAUYRNQ-YADARESESA-N	417.553	5.147	30	20	HKED	
COc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1F	917042946	IHQNPJLHJQMMQR-CYBMUJFWSA-N	422.403	5.272	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1OCC#N	917604459	IGWHXOJVCUAWHS-VURMDHGXSA-N	420.446	5.130	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)c(F)c4)cc3)CCC2)C1	1790614846	ORHLJOLJPFPVIA-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
Cc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)c1	10167247	BRFFDCPANMXYBC-UHFFFAOYSA-O	419.570	5.337	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2F)cc1	22726988	QYTJAXZUMUGSDU-UHFFFAOYSA-O	413.563	5.487	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1	25438280	WDLVRZGBIVJGBU-UHFFFAOYSA-N	400.478	5.198	30	20	HKED	
C=CCNC(=O)c1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl	27393400	AHDLAFHWLBEZDN-UHFFFAOYSA-N	405.306	5.376	30	20	HKED	
CCCNC(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	49761524	JDQUQVLNXBOFSD-UHFFFAOYSA-N	415.518	5.102	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc(Cl)s2)cc1	55823990	LJSDWMGTQULEHI-UHFFFAOYSA-N	410.926	5.618	30	20	HKED	
COc1ccc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1OCCCC#N	64367456	KJCYFUIVHPNVKC-LRVMPXQBSA-N	418.449	5.116	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	65724821	NWKJHARVTMMMIL-UHFFFAOYSA-N	402.306	5.261	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1	146775333	KOGMGELALOKHQX-UXHICEINSA-N	403.869	5.450	30	20	HKED	
C[C@@H](Nc1nc(N[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])s1)c1cccc(C#N)c1	301441573	MMCVZIZCZHXTGI-ZIAGYGMSSA-N	418.482	5.141	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccco1	303082192	VWIDSIDLTFYXRY-JOCHJYFZSA-N	418.497	5.148	30	20	HKED	
CN(CCCC1(C#N)CCOCC1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	410387464	IALVAIVGPNWNMH-QFIPXVFZSA-N	400.925	5.601	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@H](C#N)c1nccc2ccccc12	430604184	PLVZBUMWEPEXDW-MRXNPFEDSA-N	422.271	5.995	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(OCCCC#N)c1)c1ccc(Br)cc1	431440649	KPFXOSUCQZJMLM-HNNXBMFYSA-N	401.304	5.264	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1	432766706	DZWXNPNNBWISCY-QHCPKHFHSA-N	412.493	5.669	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccccc1	433289335	UEYDYRBFSCSQNW-LJQANCHMSA-N	420.900	5.456	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cc(Cl)ccc1Br	433753167	GWJKGZTUUGICSM-GFCCVEGCSA-N	423.763	5.535	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21	435130997	AFXKAHMWKOCNCT-UTSGNWPNSA-N	403.526	5.631	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NCc2cccn2Cc2ccccc2C#N)cc1	437136335	VBUWNTMDLMUWQO-HXUWFJFHSA-N	412.537	5.035	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	437371253	JHEREAAZJMXNRZ-JTQLQIEISA-N	413.733	5.594	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	437485733	SADJCJOSMOQYCN-VGSWGCGISA-N	415.493	5.514	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(-n2cccn2)cc1	438030833	FGPUPZBXJWMTOU-SFHVURJKSA-N	423.476	5.419	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	438083585	YBHQCBBCPCDLFW-RDTXWAMCSA-N	403.935	5.101	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1	438912872	QOJVYLWERDMRCF-UHFFFAOYSA-N	405.473	5.146	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCc1ccc(C#N)cc1Cl)C(F)(F)F	439441682	SXNCOSYDKUYBRW-HXUWFJFHSA-N	418.850	5.407	30	20	HKED	
COc1ccc(-c2nc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)no2)cc1	439554030	ZQMPHUJCYYKZDI-UHFFFAOYSA-N	416.412	5.160	30	20	HKED	
Cc1nc(CNC(=O)N[C@H](CCC#N)c2ccccc2)oc1-c1ccc(Cl)cc1	440226870	MYNCWDMKMVKETD-LJQANCHMSA-N	408.889	5.148	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1	441440107	VKJQRGJKEKDISM-HNNXBMFYSA-N	405.420	5.140	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cc2ccccc2c(O)n1)c1ccc(C(F)(F)F)cc1	441575459	NROHGRIJRYOVGG-GOSISDBHSA-N	400.400	5.397	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccco1	443518356	FYPUZAZLHHROAL-ZDUSSCGKSA-N	412.902	5.886	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1ccc(C)cc1	460588680	YISZSWWVYDXROG-OAQYLSRUSA-N	418.541	5.188	30	20	HKED	
N#CCCCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	461741324	DJENMGMNSFSQTN-QGZVFWFLSA-N	400.309	5.417	30	20	HKED	
CCCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	463963524	JDLMKTVJQYBHRK-CLOONOSVSA-N	415.512	5.533	30	20	HKED	
N#C[C@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	464395643	BVZZHCOHNGSXNE-INIZCTEOSA-N	400.322	5.038	30	20	HKED	
Cc1c(Cl)cccc1-n1c(SCCCSCC#N)nc2ccccc2c1=O	466608625	PUUYRXJHPIPAEW-UHFFFAOYSA-N	415.971	5.087	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3ccsc3)C2)cc1	468352964	OPLAEIJVOUHQCB-OAQYLSRUSA-N	420.559	5.126	30	20	HKED	
Cc1ccc(NC(=O)c2sccc2C#N)cc1Oc1ncccc1Br	468624168	XDRMXCMODDQAEY-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c2ccccc21	469048942	QSBXRZKDDBXDGI-LJQANCHMSA-N	405.929	5.446	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)CC2	469413161	BNOUJAMXVVDNFW-INIZCTEOSA-N	420.456	5.388	30	20	HKED	
CC(C)(C)OCc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)no1	472355896	MCIFTIIXNAUVQK-UHFFFAOYSA-N	409.417	5.045	30	20	HKED	
COc1cc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1Br	472748821	JDGISBOXWXLXPK-LBPRGKRZSA-N	420.332	5.496	30	20	HKED	
CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1	473768106	UCGYBGKGIMZVJQ-AUSIDOKSSA-N	404.558	5.177	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	476077840	FNSJVGFFEYZSIK-UHFFFAOYSA-N	413.521	6.435	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Br)c(Cl)c2)cc1	477193193	MONYVISVWKWNOR-UHFFFAOYSA-N	407.695	5.062	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCCCOc1cccc(C#N)c1	480077880	PDWKFJAPUQZTKP-UHFFFAOYSA-N	407.514	5.039	30	20	HKED	
C=C(C)[C@H](N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)c(F)c1	481601220	CIUTVZHPUPTCAM-ZMZPIMSZSA-N	424.278	6.290	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc(Cc2nnc3n2CCCCC3)cc1	481987120	ALRXVZSRJBXULW-XMMPIXPASA-N	411.553	5.347	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[C@H]1C(F)(F)F	482022847	UQVQKLBMDRVIOR-HXUWFJFHSA-N	416.443	5.188	30	20	HKED	
CC(C)(C)[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1	484269142	XQLIYWPRWOPIQS-DYESRHJHSA-N	411.477	5.205	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc2ccccc2n1)c1ccc(OCc2ccccc2)cc1	486074611	CJKKUQLJMIFPKH-SANMLTNESA-N	421.500	5.127	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCC(=O)c2ccc(F)cc2)cc1	487993508	BAIHZULRRDOUQB-UHFFFAOYSA-N	418.443	5.028	30	20	HKED	
C=CCC[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1ccccc1	489469239	ZMIRBXPECPWHAV-SONWIMMPSA-N	416.565	5.031	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c1C#N	500095502	YZXMAEFLIMFWPE-ZDUSSCGKSA-N	420.563	5.167	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3occc3CSc3ccccc3)CC2)cc1	503880399	ZITKAQRRPKXYMY-UHFFFAOYSA-N	400.503	5.373	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc(C)nc21	505338321	OLKRWXYOSOJEEF-YVEFUNNKSA-N	416.312	5.012	30	20	HKED	
Cc1cccc(CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccco2)c1	506936280	GPPASYITAOCKFV-UHFFFAOYSA-N	419.550	5.041	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1	507809500	FTZMTCGVUKMZGI-SFHVURJKSA-N	415.493	5.415	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(F)ccc4C3)cc2F)c1	510138831	FDOMHVLGQRAQHU-UHFFFAOYSA-N	419.431	5.006	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(C)(C)N1CCCCC1	510518043	NUGAFEWFRJGBCK-UHFFFAOYSA-N	406.530	5.045	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc(F)cc1)C1CC1	510858593	WWYAKJOAZKHTGP-UHFFFAOYSA-N	415.468	5.995	30	20	HKED	
C[C@H](N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)C(=O)Nc1ccccc1C#N	511403139	DFMIUBFVIWVXTH-GAJHUEQPSA-N	403.913	5.112	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc2ccccc2s1	512488229	FSUVIFWQRHUGKN-VIFPVBQESA-N	401.925	5.625	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1	514902596	LPHLLXDBLZFEMQ-UHFFFAOYSA-N	403.463	5.717	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1csc(-c2ccc(OC)cc2OC)n1	515780273	OSOWVRPBTDAQRS-UHFFFAOYSA-N	410.539	5.024	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518151356	QEJBEHREFXHLNI-CQSZACIVSA-N	408.445	5.426	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2)cc1	518907059	JZIKVBCREZDFNC-UHFFFAOYSA-N	411.461	5.410	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1	521749884	JJENOFTZEKMSBI-UHFFFAOYSA-N	420.538	5.295	30	20	HKED	
CC(C)Oc1c(Cl)cccc1NC(=O)Nc1ccccc1SC[C@H](C)C#N	522837747	HCFKVJSGNCEGCL-CQSZACIVSA-N	403.935	6.023	30	20	HKED	
COc1cc(C)c([C@@H](C)NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1OC	523140429	PYDLKBZYWNRXOG-QGZVFWFLSA-N	415.493	5.119	30	20	HKED	
COc1c(Br)cc(Cl)cc1NC(=O)N[C@H](CCC#N)c1ccccc1	533041731	LNGDZUAJOONVMH-OAHLLOKOSA-N	422.710	5.278	30	20	HKED	
N#CC1(NC(=O)c2cc(/C=C\c3cccs3)nc3ccc(Br)cc23)CC1	533871125	FMDALOVXVVSTQQ-PLNGDYQASA-N	424.323	5.015	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2c1	535385474	BUGGAJPGYAWNBL-IBGZPJMESA-N	420.497	5.705	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1C1CC1	535694647	CMMADJOPCITPMC-QGZVFWFLSA-N	414.509	5.434	30	20	HKED	
Fc1ccc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F	535945377	HBUUWAYBFRSZIB-UHFFFAOYSA-N	421.360	5.017	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1Cl	536122576	XVKMULLPQBQRAR-INIZCTEOSA-N	415.802	5.662	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2ccc(C)cc2)o1)c1ccc(C(F)(F)F)cc1	537130701	WOGXXJODGLWNAB-IBGZPJMESA-N	401.432	5.861	30	20	HKED	
N#CC1(c2ccc(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)cc2)CC1	538493465	KDHALVUNSCDKMP-HSZRJFAPSA-N	405.501	5.285	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(Oc2cnccn2)c1	539776132	FHTMBWQUAMCZDB-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
COCC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(C)o1	541109082	LXDUIGVYZFLTOJ-FDDCHVKYSA-N	417.509	5.265	30	20	HKED	
CC(=O)N1CCc2c(sc3nc(C(C)(C)C)c(C#N)c(-c4ccc(C)cc4)c23)C1	541587171	TXPURRZNDFUZBY-UHFFFAOYSA-N	403.551	5.346	30	20	HKED	
Cc1cc(-c2nnc(NCc3cccc(OCc4cccc(C#N)c4)c3)o2)c(C)o1	541821585	UGEHSEJNRQKOLG-UHFFFAOYSA-N	400.438	5.009	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc3[nH]c(-c4cccs4)nc23)c1	546038777	NFUWIPODFUMKRP-UHFFFAOYSA-N	402.479	5.226	30	20	HKED	
N#CCCCCNC(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1	553071091	HWLAQQYDSHSJFZ-UHFFFAOYSA-N	422.710	5.710	30	20	HKED	
Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1OCC1CCOCC1	556316689	IMSIMUWCJSLVTN-UHFFFAOYSA-N	420.534	5.448	30	20	HKED	
C=CCOc1ccccc1-c1nc([C@H](OCC)c2ccc(F)cc2C(F)(F)F)no1	576265229	CWCBEKJVQQTZMR-GOSISDBHSA-N	422.378	5.585	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2)ccn1	581197916	FKSCRVLIESQZGT-UHFFFAOYSA-N	421.460	5.061	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CC1(C#N)CC1	590140221	IEMAKECYJZRYSF-CRAIPNDOSA-N	403.913	5.550	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2Cl)cc1	604026899	LLZPNTXZZMMBSU-UHFFFAOYSA-N	407.813	5.093	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](N4CCCC4)C3)cc2Cl)cc1	604089617	IOBBZCTVLRPADD-LJQANCHMSA-N	424.932	5.096	30	20	HKED	
Cc1nc(SCC(=O)Nc2cc(Br)ccc2Cl)c(C#N)c(C)c1C	608945820	OHGCOHBAWBAWJJ-UHFFFAOYSA-N	424.751	5.025	30	20	HKED	
C[S@@](=O)Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	609164390	MGHZOUUMXBFKQN-ONOMSOESSA-N	422.937	5.126	30	20	HKED	
N#CCn1c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc2ccccc21	609165008	MIPZLTNSCSJPCK-UHFFFAOYSA-N	406.898	5.118	30	20	HKED	
CCCN(C(=O)Cc1csc(Cc2ccccc2)n1)c1cc(Cl)ccc1C#N	609286599	YXABPJHJTMZHNZ-UHFFFAOYSA-N	409.942	5.245	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)cc2F)c1	609644109	WNXFEADWFBGULR-UHFFFAOYSA-N	417.415	5.078	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3cccc(OCCCC#N)c3)c2)no1	610171139	HEVBGVIVPNHACH-UHFFFAOYSA-N	418.497	5.260	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1	611212615	JTERIWYOYYRFJQ-MRXNPFEDSA-N	415.540	5.699	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1Br)c1ccc(OCc2cccnc2)cc1	611500950	QCKQKYAKHQDIPT-INIZCTEOSA-N	422.326	5.146	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1cccs1	675772285	YHAZYWHWFQLWTF-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
COCc1cc(=N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cc(F)ccc2[nH]1	685903870	HMBIXBLYNJXAMH-PJXYFTJBSA-N	424.360	5.264	30	20	HKED	
Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	726240998	VWMASKAIQOSVCO-KRWDZBQOSA-N	407.514	5.540	30	20	HKED	
N#Cc1ccc(NC(=S)N(CCc2ccccc2F)C2CCCC2)cc1Cl	726485598	RNWKPZUOMYGFAL-UHFFFAOYSA-N	401.938	5.535	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1	726572374	AIQWTHFTPHGIIZ-UHFFFAOYSA-O	413.566	5.711	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)c1	729070803	YLAYZNXTOQOYSY-QFIPXVFZSA-N	418.880	5.189	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)Oc3cccc(Cl)c3)n2)cc1	733051854	AOAZPMPSQHZHSD-SFHVURJKSA-N	410.926	5.806	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cs2)cc1	733258632	HHFXXPAQEOGORY-FQEVSTJZSA-N	409.942	5.510	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C	733632219	YUEIXUKWRPKVEG-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCCOc2ccc(Cl)cc2Cl)c1	733772935	JAHBTKQDORNWGQ-QGZVFWFLSA-N	421.324	5.150	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)NCc1cccc(O[C@H](C#N)CC)c1	733843419	HYPXTBLZBPYRBS-KRWDZBQOSA-N	401.894	5.131	30	20	HKED	
N#C[C@@H](C(=O)COc1ccccc1-c1ccccc1)c1nc(-c2ccncc2)cs1	734084065	VHZFCRJBDHLXNV-FQEVSTJZSA-N	411.486	5.127	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNc1ccc(C(F)(F)F)cn1	740761577	ZRKUPKDAAVMCBY-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	745268149	QANJLQWOQKYWIH-VWLOTQADSA-N	406.489	5.434	30	20	HKED	
C#Cc1cccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1	746015683	IIGIMWJCFNWRMG-UHFFFAOYSA-N	423.316	5.144	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(N2CCOC2=O)cc1	748585075	WNXPNMHDOCDRRK-LUAWRHEFSA-N	420.446	5.176	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccccc2)o1	749026246	LUXZQSIJUHFORF-CQSZACIVSA-N	415.232	5.340	30	20	HKED	
C=CC(=O)Nc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	751449772	DHHLKYGCZGTYGW-UHFFFAOYSA-N	420.284	5.240	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1C#N	752304922	ZEGKOZINLREOQB-FQEVSTJZSA-N	410.449	5.025	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1	752655925	IZAJNHCHDGBTBM-FCHUYYIVSA-N	420.513	5.195	30	20	HKED	
C[C@@H](OC(=O)COc1cccc(C#N)c1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753351899	UPRTXOXSPXKOKU-GFCCVEGCSA-N	417.248	5.203	30	20	HKED	
COc1cccc([C@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	753397770	XIUGYZJMPUNILT-QRWLVFNGSA-N	401.491	5.060	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc(C(C)(C)C)sc1C#N	756838589	OOLAJQKIPYXDNM-UHFFFAOYSA-N	412.946	5.376	30	20	HKED	
C#CCCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	759084588	DQPRTAYCAZPNKR-CYBMUJFWSA-N	405.260	5.247	30	20	HKED	
C#CCN1CCC(C(=O)N(C)[C@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)CC1	760110342	NMUIGZZDDZKGEG-OAQYLSRUSA-N	418.581	5.005	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1[nH]c2ccccc2c1Cl	764750848	RSHWYJTXNOSXJN-UHFFFAOYSA-N	409.660	5.149	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC(C)(C)CC#N)c(OC)c1	764843041	XAMHVCHIWLEERI-UHFFFAOYSA-N	420.509	5.268	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	766471065	ZFXRFBNIUMAYPZ-OAQYLSRUSA-N	420.557	5.466	30	20	HKED	
COc1cc(NCc2ccc(N(C)CCC#N)cc2)ccc1NC(=O)OC(C)(C)C	770528407	LCSQJIHDCSEFFS-UHFFFAOYSA-N	410.518	5.004	30	20	HKED	
N#C[C@@H](OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C1CCCCC1	776367799	LVUIGGCBHOVNSN-QGZVFWFLSA-N	402.903	5.283	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc2c(ccc3ccccc32)o1	777116536	VJYZSAZJLGNJHA-QGZVFWFLSA-N	411.505	5.592	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1	777302390	MVDDDDHNMHBXQF-YWZLYKJASA-N	424.928	5.021	30	20	HKED	
C=CC[C@H](NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)c1ccncc1	781641088	DZKBJXHCEGVWJU-KRWDZBQOSA-N	402.281	5.399	30	20	HKED	
C[C@H](OC(=O)c1ccsc1NC(=O)c1ccccc1Cl)c1cccc(C#N)c1	783529772	IPWPWOYTUHYHFT-ZDUSSCGKSA-N	410.882	5.443	30	20	HKED	
CC[C@H](Cc1ccccc1Br)C(=O)[C@H](C#N)c1nccc2ccccc12	792106557	RUPCKXMFHBGUTQ-DNVCBOLYSA-N	407.311	5.442	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797569343	AQCVPKBINQJXCA-YPMHNXCESA-N	423.351	5.397	30	20	HKED	
N#C[C@@H](C(=O)CC1CC(c2ccccc2)C1)c1nc(O)c2c3c(sc2n1)CCCC3	798814798	WDUBFKVKBXQKEY-PVARCSIZSA-N	417.534	5.036	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1	799203944	VPYFXSMWINJQCQ-DHDCSXOGSA-N	404.488	5.279	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1	800576170	CCHLDHJVSCFOAM-UHFFFAOYSA-N	418.459	5.340	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)OCc2cc(C#N)ccc2Br)cc1	801908270	QZTKIIDOYMEHCP-AWEZNQCLSA-N	414.299	5.006	30	20	HKED	
CC(C)(C)OC(=O)NCc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	814638575	UQAUKYNWTJKNIB-OAQYLSRUSA-N	422.529	5.268	30	20	HKED	
O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)c1cc(C(F)(F)F)ccc1F	816061807	AEACTYLSIMKQKV-CYBMUJFWSA-N	407.241	5.446	30	20	HKED	
C#CCCCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	904669139	SJNLSGGCJNZSMT-UHFFFAOYSA-N	407.779	5.552	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OC(F)F)c1	915359427	SVZBGFXZUMIUOC-ZHRRBRCNSA-N	421.447	5.826	30	20	HKED	
O=C1/C(=C/c2ccc(OCc3ccncc3)cc2)CC/C1=C\c1cccc([N+](=O)[O-])c1	915986798	DLCSXVYIEBCAMO-NNFYUIBOSA-N	412.445	5.399	30	20	HKED	
O=C(Nc1cccc(/C=C2\Cc3ccccc3C2=O)c1)c1ccc(Cl)cc1Cl	916137283	YHZRFAUEBCODEW-MHWRWJLKSA-N	408.284	6.068	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1cccc(OCC#N)c1)c(C)n2C1CCCCC1	916410481	CSIHVAPNDXNUMN-UHFFFAOYSA-N	417.509	5.618	30	20	HKED	
Cc1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916905080	MBGXCEVRXCSMCN-FQEVSTJZSA-N	416.502	5.227	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3cc(C)ccc3Cl)n2)cc1	916975199	WHIOWSYKFZBMTM-RDJZCZTQSA-N	410.926	5.724	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1	920106103	KQCAGYXTHGPVFQ-JOCHJYFZSA-N	424.525	5.974	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)o2)c(C)c1	920108115	AEPQADNJNFIXQC-KRWDZBQOSA-N	422.868	5.090	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3)CCC2)cc1	1785841958	GUAFWPMBLBSXGE-UHFFFAOYSA-N	419.569	5.141	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccccn3)CCC2)cc1	1789455461	UJCWWWQKTMLHLY-UGKGYDQZSA-N	417.553	5.088	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)s2)CC1	1825351417	PNDOJUAHWALKIG-GOSISDBHSA-N	420.594	5.113	30	20	HKED	
CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1	5255570	AJTJLFJAFKOBCR-IBGZPJMESA-N	416.597	5.013	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1	6339163	DTCHCNPUGKEVSG-VAWYXSNFSA-N	406.825	5.397	30	20	HKED	
C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1nc2c(s1)CCCC2	21286281	KSDXTTUHZVTUML-UHFFFAOYSA-N	421.522	5.008	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	48830215	MUYQQZVYJJEWIU-AWEZNQCLSA-N	402.397	5.328	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c1	59770864	APWRNPIMJHEHGR-UHFFFAOYSA-N	420.490	5.121	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F	63394278	OKHJCISNFXNGGS-UHFFFAOYSA-N	423.391	5.064	30	20	HKED	
C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cccc(CC#N)c1	97392196	KUJHDVWAAVWTJZ-IYBDPMFKSA-N	409.917	5.061	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)ccc1OCC(F)(F)F	110958750	CDWPLFRSGHCGGE-IBGZPJMESA-N	417.431	5.128	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCCCc2nc3ccccc3s2)cc1	111184532	NEPKYZUPCWOZBZ-UHFFFAOYSA-N	407.539	5.355	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(N(C)CCC#N)cc3)s2)cc1	237608261	NASBYSAUTBNRRL-SFHVURJKSA-N	404.583	5.628	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(Cc2ccccc2)c1C	302961334	GOOCSGSPYBOLBC-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1cccc(Cl)c1	303360213	HANXNCJVUHFAJG-INIZCTEOSA-N	401.963	5.195	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1OC	427449022	DSBRLJHNGSRLER-UHFFFAOYSA-N	408.498	5.031	30	20	HKED	
CCCCn1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1CC	428228836	VXKIZTJTIIHSLM-UHFFFAOYSA-N	416.525	5.143	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1	430690970	JRBZDVYWGRXMJP-UHFFFAOYSA-N	400.809	5.149	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c1	430951233	KVZMGELHVDXIIE-UHFFFAOYSA-N	418.909	5.751	30	20	HKED	
C=CCN(C(=O)c1cc(C)sn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	435661552	FLZHOKLTHGYCCS-UHFFFAOYSA-N	410.351	5.715	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1	439299717	CZVHQPUVNAAPSD-XMMPIXPASA-N	410.477	5.826	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3C)n2)cc1	442669007	AREILSFSMIZPKO-INIZCTEOSA-N	411.324	5.680	30	20	HKED	
C[C@H](S[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1)c1cccc(C#N)c1	443141657	DWCXDCGKVPRZKR-STQMWFEESA-N	407.520	6.084	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccco1	443518352	FYPUZAZLHHROAL-CYBMUJFWSA-N	412.902	5.886	30	20	HKED	
N#CC(CCN1CCSC[C@@H]1c1nccs1)(c1ccccc1)c1ccccc1	444687275	UNLBILWLIWUFPD-OAQYLSRUSA-N	405.592	5.133	30	20	HKED	
COc1cc(OC)c(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1F	446205216	JNCUBOBXWGVNKD-UHFFFAOYSA-N	408.454	5.118	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3Br)c2C#N)C1	447127349	CLOUCMRGKNNSSF-JTQLQIEISA-N	407.333	5.379	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(C(F)(F)F)cc1	460778206	KSSGHXBVVCXFNM-MRXNPFEDSA-N	415.463	5.056	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2C(C)C)cc1	464479376	VZMOHTSEHMNJPS-KRWDZBQOSA-N	412.415	5.208	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)CC3	468873696	GANLXIVVZZDUEI-FQEVSTJZSA-N	412.537	5.029	30	20	HKED	
CN(Cc1nc(C(F)(F)F)cs1)c1c(C#N)cnc2c(F)ccc(Cl)c12	470874149	UFZQQTRCYQUBOB-UHFFFAOYSA-N	400.788	5.011	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NCc2nnc(-c3ccc(C#N)cc3)o2)cc1	471683219	RCCCCBXMITUHMM-QGZVFWFLSA-N	412.518	6.074	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(Cc2ccccc2F)s1	475408502	IKIBZUSSNILJFW-AWEZNQCLSA-N	411.527	5.377	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)C[C@@H](CC#N)c3ccccc3)s2)cc1	476061882	OBSSMXFLQWTAOQ-OXJNMPFZSA-N	419.550	5.392	30	20	HKED	
N#C[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1c(Cl)cccc1Cl	476253455	KJFVKKJZQPZCOW-OAHLLOKOSA-N	420.296	5.180	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	477420095	CXRAIJGBYKFKDN-QPUJVOFHSA-N	407.276	5.527	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(NC(=O)c2cccc(F)c2)c1	481921732	OCHOWYKQMUOZPO-VWLOTQADSA-N	413.496	5.507	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)o1	482515266	VZAMSGORWJBGRA-UHFFFAOYSA-N	409.449	5.167	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc(N(C)C(C)=O)cc1)c1ccc(C(F)(F)F)cc1	486351450	WSHOSNSWTSGDBH-HXUWFJFHSA-N	404.432	5.125	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1Cl	487064060	UPSNDPAWUMUKFA-NRFANRHFSA-N	413.864	5.903	30	20	HKED	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	487078441	YMDVISXNAFCBKZ-UHFFFAOYSA-N	408.461	5.496	30	20	HKED	
C=CCC[C@H](C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1	487588385	JWRZACDQCZNQTL-INIZCTEOSA-N	405.325	5.140	30	20	HKED	
CC(C)CCn1ncc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C(C)C	487634148	MITUMRGUWIXFIB-IFMALSPDSA-N	407.562	5.356	30	20	HKED	
CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	488030502	ZFNWJDIXGISGFE-NFBKMPQASA-N	408.567	5.032	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cnc(C)cn2)nc2scc(-c3ccccc3)c2c1=O	488265997	SSCRROIPCBFGGT-HNNXBMFYSA-N	420.563	5.263	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1	490506175	ACZRTFVRHRTFSJ-UHFFFAOYSA-N	416.403	5.018	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)cc1	503643000	KYJUKFBPVYTSTE-UHFFFAOYSA-N	418.497	5.066	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1cccc(Cl)c1Cl	505313110	DJTDBPZASFAWDM-QGZVFWFLSA-N	418.305	5.024	30	20	HKED	
N#C[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccc(OCc2ccccc2)cc1	505336393	BHKQWODFCIKPPS-DHIUTWEWSA-N	414.530	5.226	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1cccc(C(F)(F)F)c1	505922706	KTNXJXZBFPWUNX-MRXNPFEDSA-N	400.322	5.195	30	20	HKED	
CN(Cc1ccc(C#N)cc1)Cc1nc(O)c2c(-c3ccccc3Cl)csc2n1	506134393	FVDPOYOSRJGXTK-UHFFFAOYSA-N	420.925	5.221	30	20	HKED	
CCc1c(NC(=O)c2sc3ccc(C#N)cc3c2C)cnn1-c1cccc(C)c1	506645105	GRSXAJOTHUAQDK-UHFFFAOYSA-N	400.507	5.390	30	20	HKED	
N#CC1(CCCSCc2cc(Br)cc3cccnc23)CCOCC1	508591148	WNWQBJCNGZYMOS-UHFFFAOYSA-N	405.361	5.331	30	20	HKED	
CCN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)[C@@H](C)c1ccc(C#N)cc1	508671070	KEFGGXRPYCGTRT-FQEVSTJZSA-N	407.521	5.389	30	20	HKED	
CCn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2ccccc21	511360799	OHSQJHQMDXTACD-KRWDZBQOSA-N	405.910	5.928	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccc(OC)cc1	514584612	BNUCVWMNYZEDDY-QGZVFWFLSA-N	407.539	5.120	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)cc1Cl	519727459	ZZWHDBMBYQDMOX-UHFFFAOYSA-N	422.834	5.809	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1	520698444	OXFCGDUVLNZHIV-UHFFFAOYSA-N	406.555	5.125	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCc2cccc(F)c2)cc1	521013872	BGJGOQMFYQLTOC-UHFFFAOYSA-N	404.510	5.352	30	20	HKED	
COc1cc(COc2ccc(F)cc2C(C)=O)ccc1OCc1cccc(C#N)c1	523883426	QLTCPUDPQOUCSD-UHFFFAOYSA-N	405.425	5.067	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n(C(C)(C)C)n1	524139482	JAYGMIONDZUPRE-UHFFFAOYSA-N	420.513	5.232	30	20	HKED	
CCCOc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	524249986	SYJAUZRGIYMVAQ-UHFFFAOYSA-N	400.478	5.487	30	20	HKED	
Cc1nc(N[C@@H](CCC#N)c2ccccc2)cc(N[C@H](CCC#N)c2ccccc2)n1	533101584	KHBYYSPKEZBGBM-ZRZAMGCNSA-N	410.525	5.699	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)c1ccccc1	534641705	JBFCQKLDQKVCSI-LEWJYISDSA-N	416.468	5.078	30	20	HKED	
CC[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1c(C)noc1C	536075272	OSOZYCQYRDPVHG-IBGZPJMESA-N	409.873	5.490	30	20	HKED	
C=C[C@H](CC(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1	536307221	DPEIBJYZXDRRQT-NTKDMRAZSA-N	411.505	5.028	30	20	HKED	
Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	537681997	FTRAOSHRBGDEFF-LJQANCHMSA-N	405.567	6.019	30	20	HKED	
COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)ccc1OCc1ccncc1	539608633	VZNQFGARHUBOAA-DLBZAZTESA-N	405.473	5.092	30	20	HKED	
Cc1cc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)nn1CCC#N	539715585	ZQPINHZPYQOHRX-LADGPHEKSA-N	413.525	5.088	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1-c1ccccc1Cl	539731140	UAPCDWHYPVUFPP-ICSRJNTNSA-N	419.916	5.138	30	20	HKED	
C[C@H](NCc1nc(O)c2oc3ccccc3c2n1)c1ccc(-c2cccc(C#N)c2)cc1	542942427	QVRKHWLLUCSVDW-INIZCTEOSA-N	420.472	5.471	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1	543943966	UXFTZYDAOPJNHD-JTSKRJEESA-N	400.482	5.129	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	543943977	VJHNQRLZKMVCLW-WZONZLPQSA-N	403.526	5.077	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(Cc3c[nH]c4ccc(F)cc34)no2)c2ccccc21	546454277	LYGPVFNPKOLYFP-TWGQIWQCSA-N	411.440	5.320	30	20	HKED	
Cc1noc([C@H]2CCCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	553393351	MSXUYSFCIIZGCE-LJQANCHMSA-N	422.872	5.063	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nccn1-c1ccccc1	558338580	VSQSZJXHFKVRKJ-DLBZAZTESA-N	405.527	5.007	30	20	HKED	
CC1(C)CCC(c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)CC1	558393186	KPMPQJAWTMTHAH-UHFFFAOYSA-N	421.501	5.257	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	568419935	ZJHZCESETKNFSF-UHFFFAOYSA-N	424.492	5.287	30	20	HKED	
N#CC[C@@H](Cc1nc(CCCc2ccccc2Br)no1)c1ccccc1	571124453	BERNTVKXVSZYFZ-SFHVURJKSA-N	410.315	5.247	30	20	HKED	
CN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	573522864	UWFJJUZYWXRAQL-BJHJDKERSA-N	409.330	5.042	30	20	HKED	
CC(C)(C(=O)N1CCC[C@@](C)(C#N)C1)c1csc(-c2c(F)cccc2Cl)n1	589487122	BQFIMHMUMBLVFO-FQEVSTJZSA-N	405.926	5.032	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)cc1	591012670	MBGQFMIVBXMUBI-UHFFFAOYSA-N	424.953	5.930	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603692059	QGGGJACZAYHHMW-QGZVFWFLSA-N	416.481	5.415	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)CNc1ccc(C#N)cc1	609072888	CEZVLRRUZMPSRH-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c[nH]2)cc1Cl	609164838	XUTPYYPBWKODPE-INIZCTEOSA-N	414.690	5.338	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCC(=O)Nc3cccc(Cl)c3Cl)c2)cc1	609220816	UMAMDEBIZIGLOH-UHFFFAOYSA-N	412.276	5.708	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCCc1nc2ccccc2s1	609428249	HNXDYBLLPCGKLN-MRXNPFEDSA-N	409.580	6.042	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1	609523246	GUEYKZVVMAVMNZ-DZKIICNBSA-N	413.226	5.497	30	20	HKED	
CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	609643493	TYEGQMDNFLCSIC-GOSISDBHSA-N	402.498	5.193	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)cn1	609644141	ZOCMHPIYYMAWDW-UHFFFAOYSA-N	418.815	5.339	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609730783	VMAAUDSGWVGBBV-UHFFFAOYSA-N	419.912	5.494	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1	610197189	FPLCPVQPMAZBQO-INIZCTEOSA-N	404.432	5.545	30	20	HKED	
C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(C#N)c1	610361688	ISLCMPUHSWXNLO-LBPRGKRZSA-N	416.333	5.408	30	20	HKED	
N#CCn1c(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc2ccccc21	610774996	VLVDMZCYBNIKPT-UHFFFAOYSA-N	411.427	5.203	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@@H](C)N[C@H](C)c3cccc(C#N)c3)s2)cc1OC	610830328	MNVWBDDAVRRMLF-HZPDHXFCSA-N	421.566	5.343	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	611557361	MDWDQWIQAXMCDO-HOCLYGCPSA-N	403.404	5.545	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)C1	612374968	ACJPIYQROLAUDL-CTNGQTDRSA-N	403.860	5.043	30	20	HKED	
CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1	614171389	VLBAYUXFQUPGQO-UHFFFAOYSA-N	409.599	5.066	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2C)nnc1-c1cccc(C)c1	617940356	HNXQZRFSVZOTNZ-RTBURBONSA-N	420.582	5.106	30	20	HKED	
Cc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cccc(F)c12	618301451	PYGYPCPKBXIXOQ-NXEZZACHSA-N	413.358	5.552	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2ccccc2C)cc1	630033005	FQPFSQDBDFVMHG-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
C=CCOc1ccc(CNc2ccccc2CN(C)C(=O)c2cccs2)cc1OC	676325662	MHRHKRVXFWRSER-UHFFFAOYSA-N	422.550	5.206	30	20	HKED	
Fc1ccc([C@H](NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2cccnc2)cc1	680337280	SWYLOFKTIGASNO-MPGHIAIKSA-N	420.372	5.809	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)c(F)c1	681330258	WQPDWQYROLAPHN-OIBXWCBGSA-N	414.496	5.391	30	20	HKED	
O=C(c1sc2cc(F)ccc2c1Cl)N(CCC(F)(F)F)CC(F)(F)F	684161635	YBHTZZILNCHDSH-UHFFFAOYSA-N	407.738	5.651	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1	726481138	PTHCTOLHVFWNTF-QHCPKHFHSA-N	404.510	5.086	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2sc3ccccc3c2s1	726755415	LWRIJYNBOKRVIR-UHFFFAOYSA-N	413.527	5.865	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCOc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	728411093	DJYIITCJWUFXTN-ZIAGYGMSSA-N	402.397	5.058	30	20	HKED	
CCOC(=O)CCOc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)cc1	728440676	RHADWDMPAPGEQH-JXMROGBWSA-N	413.520	5.100	30	20	HKED	
N#CCc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)cc1	730347767	XYLXKEQKHOCIKR-UHFFFAOYSA-N	422.843	5.008	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2ccccc2s1	730394962	OYCLTJZCFAQATL-PGRDOPGGSA-N	418.518	6.145	30	20	HKED	
CCOc1ccc(OCC)c(NC(=S)Nc2ccccc2SCCC#N)c1	730952963	GZGVMLWOEGKBPZ-UHFFFAOYSA-N	401.557	5.299	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F	731332180	FNFZJYMEHVCMFC-OAHLLOKOSA-N	408.473	6.278	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC[C@H](O)c2ccc3ccccc3c2)c1	731452540	CMRBBFKNOYWIPH-MHZLTWQESA-N	408.501	5.114	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl	732435850	RVEYJCUBSQRMPG-PXAZEXFGSA-N	424.353	5.243	30	20	HKED	
FC(F)(F)c1cc(NN=C2CCC[C@@H]2Cc2ccccc2)nc(-c2ccccn2)n1	735614912	HLNXVKZAKKLYKY-MRXNPFEDSA-N	411.431	5.368	30	20	HKED	
CC(C)(CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)NC(=O)OC(C)(C)C	737503464	PVKKNVFCNWHPIS-NRFANRHFSA-N	421.541	5.364	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H](Cc2cc(Cl)ccc2OC)C1)c1ccncc1	741408558	JOWBQJRMOBJZMC-UTKZUKDTSA-N	413.949	5.025	30	20	HKED	
COc1cc(C(=O)/C=C\c2cc(Cl)ccc2Br)cc(OC)c1OC	742429045	FKAWFEKPLBYSBD-DAXSKMNVSA-N	411.679	5.024	30	20	HKED	
CC(C)=CC(=O)NCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1	742496416	CNWRQSRXIMCBNH-UHFFFAOYSA-N	410.473	5.027	30	20	HKED	
O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CCOc2c1ccc(Cl)c2Cl	743056181	CPEUVTCGCVOELO-SDNWHVSQSA-N	413.260	5.625	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1cccc(C#N)c1	743110743	SAWNRAPEURAEME-BBRMVZONSA-N	420.365	5.727	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	744028001	GQJHSGYKRXEHMR-CEXWTWQISA-N	401.293	5.007	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(F)c1F)c1nc(-c2c(F)cccc2F)cs1	750402209	AKWDIJVRCGXIKO-GFCCVEGCSA-N	404.388	5.176	30	20	HKED	
COc1cccc(/C(C)=C/C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	751237832	BKVFKIRMRSWLEL-KNTRCKAVSA-N	412.489	5.382	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C)cc2O)cs1)c1ccc(F)cc1F	757476865	VCMJURWWALZAFD-YVMONPNESA-N	414.433	5.016	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(C(F)(F)F)c1	761664085	FGPQXISMYIEYOZ-GOSISDBHSA-N	409.383	5.266	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(F)F)cc1OCCCC#N	762604817	RDOBOVAWZWSCEP-SOFGYWHQSA-N	401.409	5.184	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)sc2c1	764303170	MMUXPYBDODNAIA-UHFFFAOYSA-N	406.250	5.549	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(Cl)cccc32)ccc1OC	772986706	QIVOQAXMIHUVCF-VQIMIIECSA-N	400.906	5.033	30	20	HKED	
CN(CCC#N)c1ccc(CNc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1	775185854	XEGDBKKNEUPDCD-UHFFFAOYSA-N	404.558	5.053	30	20	HKED	
C[C@H](N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)c(F)c1	779083230	VWZMEHNLEVSSPK-OYHNWAKOSA-N	409.505	5.773	30	20	HKED	
CC(C)(C)[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc2ccccc2o1	779420688	QSXGKWMHLYFROS-DEOSSOPVSA-N	403.526	5.465	30	20	HKED	
Cc1ccc(Oc2ccc(OCC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)cc1	780151610	NEKWOUFSGJLLFW-SFHVURJKSA-N	402.450	5.096	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	780486218	QKVWIDAWSZNHIR-BPAFIMBUSA-N	401.432	5.537	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F	780579492	ZYDLYHFMUKUNJS-NSHDSACASA-N	413.783	5.216	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	780678805	XOEXXTYLWCVHMQ-SFHVURJKSA-N	406.530	5.068	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	786306739	LSIQWXWAPKQXSW-WFASDCNBSA-N	414.292	5.316	30	20	HKED	
CC(=NOCc1ccc(Cl)nc1C(F)(F)F)c1ccc(NC(=O)C2CC2)cc1	786740671	ZOCWPTOPJCHSBJ-UHFFFAOYSA-N	411.811	5.043	30	20	HKED	
C/C(C=Nn1cnnc1SCc1ccc(Cl)cc1)=C/c1cccc([N+](=O)[O-])c1	787151973	CLAIODCRRWYBEJ-DRSODFQISA-N	413.890	5.069	30	20	HKED	
O=C1/C(=C/c2ncc(C(F)(F)F)s2)CCC/C1=C\c1ncc(C(F)(F)F)s1	788345543	NZPMKZTVRBIFGL-KBXRYBNXSA-N	424.391	5.857	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C(F)(F)F)s1	796779435	MIIAJXBEAOHRBU-SNVBAGLBSA-N	420.384	5.043	30	20	HKED	
Cc1oc(C#N)cc1C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1	797947899	YQVSQUVNTKOEHG-CQSZACIVSA-N	402.166	5.073	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1	798819815	KNOMZDVCUWJLIH-WBMJQRKESA-N	401.413	5.204	30	20	HKED	
C=CCn1c(SCCSc2ccccc2F)nnc1-c1ccccc1OC	799099864	GNTWGYFALBYDKJ-UHFFFAOYSA-N	401.532	5.163	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cl)c3ncccc23)cc1	802041820	GJLLNHIIVSSLFL-LIRRHRJNSA-N	405.885	5.363	30	20	HKED	
CC(C)(CCC#N)CNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34	807846874	IQTKNDIJCXJACQ-UHFFFAOYSA-N	410.517	5.993	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1	810222604	WZVADOUJRJKNEX-GHXNOFRVSA-N	402.416	5.074	30	20	HKED	
CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915350585	YVTZOHITNAXGNP-DEOSSOPVSA-N	417.484	5.414	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)CSCc1ccc(C#N)cc1	915812916	WFOKYZFOTHUBHM-UHFFFAOYSA-N	415.971	5.016	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)cc1	916913733	RLELBQUEIZMFNS-UUOWRZLLSA-N	413.521	5.238	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(F)c(Cl)c1	916936348	HYSTZQVNKJAMST-QGZVFWFLSA-N	410.832	5.019	30	20	HKED	
CC(C)(Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917047540	ZQPISNQJZLXVSM-AWEZNQCLSA-N	405.306	5.637	30	20	HKED	
Cc1ccc(C)n1-c1ccsc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917430051	CZEJOCZRERVAEJ-AWEZNQCLSA-N	410.449	5.391	30	20	HKED	
CN1c2ccccc2C(=O)N(c2ccccc2Cl)[C@@H]1c1ccc(OCC#N)cc1	917503664	RUOKZQSYQCHSIH-JOCHJYFZSA-N	403.869	5.038	30	20	HKED	
O=c1c2ccccc2ncn1N=Cc1c(Cl)cccc1OCc1ccccc1Cl	917542930	ZFHFKJSWKGNHBN-UHFFFAOYSA-N	424.287	5.165	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)SCc3ccccc3)n2)cc1	920138313	DIMYEOSREQJHTK-DNVCBOLYSA-N	408.548	5.317	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	920325401	ZJNXLWWXYRNQOX-FQEVSTJZSA-N	402.494	5.234	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(F)(F)c1cccc(Cl)c1	921006296	QQKVXNWPNVSAAX-UHFFFAOYSA-N	413.811	5.438	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4F)CCC3)cc2)C1	1785808574	OHJSZZLTQKKQAY-UHFFFAOYSA-N	417.484	5.021	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3oc(C)nc3C)CCC2)cc1	1785842517	FLDWJCKMWICMEO-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)CSc3ccccc3)cc2)CCC1	1787777050	PJYWYNDALRVYND-UHFFFAOYSA-N	420.578	5.106	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1	1788727172	MXZFPAILHSTIHY-AWEZNQCLSA-N	420.431	5.258	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3o2)n(C2CCCCC2)c1C	8526566	HSCNWQFQSFXTHJ-UHFFFAOYSA-N	408.527	5.354	30	20	HKED	
C=CCc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(OC)c1OC	16224209	OCIPNTAIBMYYOQ-UHFFFAOYSA-N	422.550	5.062	30	20	HKED	
COc1ccc(-c2nc(SCc3c(Cl)cccc3Cl)nc(O)c2C#N)cc1	31610464	YEMCNGDVUACFCT-UHFFFAOYSA-N	418.305	5.329	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)o1	64834123	JMDBOCVREPYUCB-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
C=CCc1cc(C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)cc(OC)c1OC	110636899	AWDAKGSPEUKVGZ-UHFFFAOYSA-N	421.497	5.166	30	20	HKED	
Cc1cccc(/N=C2\N=C(O)/C(=C/c3cccc(NC(=O)C(F)(F)F)c3)S2)c1	206387319	TVZFHSYIVDWTAU-GDNBJRDFSA-N	405.401	5.228	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)c2ccccc2)cc1OC	237432042	LRGLQLNTOQGALP-NTKDMRAZSA-N	416.521	5.068	30	20	HKED	
C[C@H](C/N=C(/N)Nc1cccc(Oc2ccccc2)c1)c1nc(-c2ccccc2)no1	305637972	IRZOYFPKLFTMGK-QGZVFWFLSA-N	413.481	5.059	30	20	HKED	
CC(C)(C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1csc(-c2cccs2)n1	410005480	RUWGUNOYQZENRT-UHFFFAOYSA-N	419.575	5.337	30	20	HKED	
C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-c2ccncc2)cc1	428616631	AVRSRXPVHZIHJC-LJQANCHMSA-N	421.504	5.017	30	20	HKED	
CCN(CCC#N)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	429059492	AHZAOBMNQPGZMP-UHFFFAOYSA-N	424.888	5.341	30	20	HKED	
Cc1c(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)sc2ccc(C#N)cc12	429888356	MTOZIOMRHPINNG-UHFFFAOYSA-N	424.953	5.213	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)s1	430598867	UOWHUZBBTDIRHH-CQSZACIVSA-N	413.449	5.396	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1	431712422	RYEHFYHDNHEJCZ-OAQYLSRUSA-N	415.522	5.162	30	20	HKED	
CN(C)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(C(F)(F)F)c1	432708832	ZRTQTVQQEFXGAV-GOSISDBHSA-N	404.436	5.328	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(F)cc3C#N)s2)cc1	435164057	BJVKVABLSIVLLX-ZDUSSCGKSA-N	410.474	5.021	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)co1	436266022	XUGCTGGQTLSPIA-OAHLLOKOSA-N	409.536	5.324	30	20	HKED	
CCc1nnc([C@@H](C)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1	439647745	NYJQWVLTGNHXQG-GFCCVEGCSA-N	402.376	5.488	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccccc1	440246653	RUPQPBYLIOMABD-FQEVSTJZSA-N	401.432	5.424	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(F)c(Br)c1)c1nc2cc(Cl)ccc2s1	442670386	JGFJXSSPBYYVHH-JTQLQIEISA-N	409.667	5.341	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C#N)c(O)c2)cc1	442855185	JPLAGTFSCDYNNF-UHFFFAOYSA-N	413.477	5.066	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C4CCCC4)nc3C)n2)cc1	442868335	BXXFKVGKNOZBPM-QGZVFWFLSA-N	423.563	5.731	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	443900552	WKHMVOYZKSDQCR-LLVKDONJSA-N	409.389	5.118	30	20	HKED	
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cn(CCCC#N)c3ccccc23)c1	444028671	WYHVBSSISZOUHO-UHFFFAOYSA-N	408.889	5.199	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(Oc4ccnc5ccccc45)cc3)CC2)cc1	444036376	SWMWKUDQFGPKHS-UHFFFAOYSA-N	405.457	5.569	30	20	HKED	
CC[C@H](N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21)c1ccc(C#N)cc1	447536736	POSUXOVEGLYMDF-LEWJYISDSA-N	403.551	5.809	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2)c1	462261115	IGNBBDYXPQBYFW-QPPBQGQZSA-N	413.477	5.392	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1nnc(-c2c(Cl)cccc2Cl)o1	464821010	GECLFRJXGXXWMA-CRAIPNDOSA-N	413.308	5.315	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)cc1	464939085	ATORNKOBVQDZAY-RBBKRZOGSA-N	417.534	5.121	30	20	HKED	
Cc1ccc2nc(CNC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)[nH]c2c1	465181668	DSJUCUPYGLTYNE-UHFFFAOYSA-N	416.868	5.119	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NC(=O)NCc3cc(C#N)ccc3F)cc2)c1	465947218	GAVQBRTUPGAHOX-SFHVURJKSA-N	417.484	5.145	30	20	HKED	
C=CCn1c(SCCCSCC#N)nc2scc(-c3cccs3)c2c1=O	466614443	SFPKPGIFUWAVEE-UHFFFAOYSA-N	419.622	5.111	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cncc(-c4ccccc4)c3)n2)cc1	467073937	SKWVNJIOHMFGDB-NRFANRHFSA-N	406.470	5.234	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1	475567303	KQLSYCMYHUHMKY-UHFFFAOYSA-N	405.586	5.667	30	20	HKED	
COc1ccc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Cl	479249264	HSIWNKORBZSDON-CQSZACIVSA-N	420.987	5.472	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482393349	DVKRHYMPEBQRNJ-JDNHERCYSA-N	408.317	5.249	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)cc1	482416720	USCZEGNQZDOXFB-UHFFFAOYSA-N	422.488	5.247	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1F	483232981	PJRDJHGXIFSPBP-UHFFFAOYSA-N	408.458	5.145	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)c1	487747171	DULUGGSBUDYSDF-UHFFFAOYSA-N	400.331	5.761	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3C)n2)nnc1-c1ccccn1	488906981	DOZNCMKECOMHBT-UHFFFAOYSA-N	420.567	5.327	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@]2(C)[C@@H](C1)C2(F)F)c1ccc(C(F)(F)F)cc1	489756183	RXBCHGFKMWXQPL-LZLYRXPVSA-N	402.407	5.399	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2nc(C(F)F)sc2c1	490617194	SMHYPSJHTDNBPF-UHFFFAOYSA-N	419.501	5.622	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)cc3Cl)c3c(C)noc3n2)c(C)o1	494636839	MJWIFXNYCYYZTP-UHFFFAOYSA-N	406.829	5.185	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cccc(-c2ccc(C)cc2)c1	499353636	YJNXJQJWJGSDAO-UHFFFAOYSA-N	404.510	5.035	30	20	HKED	
COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cn2)c1	500112684	FDHNIEVXPOCHLC-UHFFFAOYSA-N	416.481	5.005	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCc3ccccc3C2)cc1	503065866	BGLCILDFIWFPOX-QHCPKHFHSA-N	411.505	5.011	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1	507646827	LRIWVZZHIBOZMR-LVCYWYKZSA-N	421.566	5.019	30	20	HKED	
Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	511495906	BEAIUQLJXMFWIE-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](n4ncc5ccccc54)C3)c2)cc1	512833838	OJXNZLWQPMEBHB-NRFANRHFSA-N	423.476	5.179	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	513729522	YWSJEDXINHFDKX-INIZCTEOSA-N	403.482	5.069	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc(-c2ccccc2)o1	515195636	QQTRJUIDDACCGV-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc2cc(Cl)ccc2s1	515539341	VPIPWLQPKDGGCM-HNNXBMFYSA-N	413.289	5.279	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	517114411	MJTCITYSEQBURR-UHFFFAOYSA-N	423.410	5.527	30	20	HKED	
COc1c(C)cnc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C	517128355	SGOMYYRUICJPKP-UHFFFAOYSA-N	416.481	5.035	30	20	HKED	
C=CCOc1ccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1	517548034	DEJIFBRIXGOCPU-XMMPIXPASA-N	401.485	5.271	30	20	HKED	
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	517875300	YVGWFMMFDKLPLZ-LJQANCHMSA-N	421.840	5.165	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)CNc1ccccc1S[C@H](C)CC#N	518759174	SYCHVOAFYUYCGC-CQSZACIVSA-N	418.360	5.202	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1	518922577	YZGNNNFOBURJDB-SOAGJPPSSA-N	416.443	5.101	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc(-c2ccccc2)cs1	520445629	JSQNKLWOSGLSNS-HNNXBMFYSA-N	405.479	5.563	30	20	HKED	
N#Cc1cccc(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)c1	521315626	PUVLVHVJCLROQX-UHFFFAOYSA-N	410.477	5.333	30	20	HKED	
Cc1c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cccc1[N+](=O)[O-]	522573519	YRSQATRUZDKAAX-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1	522731022	UXQMOFSOOXJTLY-JOCHJYFZSA-N	406.526	5.178	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1	522957323	UPLCWQPFCISJEA-QHCPKHFHSA-N	411.505	5.800	30	20	HKED	
CC(=O)c1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	524119779	FJBZTXXLLNIRJT-UHFFFAOYSA-N	419.868	5.637	30	20	HKED	
Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1C	526101448	LLSMLRHOJZDHLU-UHFFFAOYSA-N	419.868	5.198	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccc(Cl)cc1	533438792	QKTNDKPJFLEPKB-DLBZAZTESA-N	415.990	5.093	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)cc1	534080691	OYSPPXVLWJBGSN-UHFFFAOYSA-N	416.502	5.940	30	20	HKED	
COc1cc2c(cc1F)CN(C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)CC2	537513804	QMPATJOUZIBECB-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
C=CCC[C@@H](NC1CCN(Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1	537950234	NKZBOKLWTLBQHS-JOCHJYFZSA-N	403.492	5.362	30	20	HKED	
Cc1cccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)[nH]2)c1	540080192	WFCXYAUFFDOAFA-IBGZPJMESA-N	423.501	5.179	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2C)cc1	548485425	IZASHZYSICHRAO-KRWDZBQOSA-N	413.477	5.510	30	20	HKED	
CC1(C(=O)Nc2cccc(OC(F)F)c2)CCN(c2ccc(Cl)cc2C#N)CC1	552814170	FYUWHZFXHPMDAY-UHFFFAOYSA-N	419.859	5.058	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](c4ccccc4F)C3)cc2)c1	553320247	WNJUCVHVYYOBTJ-GOSISDBHSA-N	401.441	5.511	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@](F)(c2ccccc2F)C1	554909323	CFNREYLFZMYJFU-VFNWGFHPSA-N	401.482	5.323	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)c(C)c1	564379230	PRUQKKDHVJITMM-HSZRJFAPSA-N	402.542	5.139	30	20	HKED	
CSC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1F	577558959	IYCYHWCPAOMKNE-NRFANRHFSA-N	414.527	5.239	30	20	HKED	
C=CCn1c(SCc2ncc(C)cn2)nc2sc(-c3ccccc3)c(C)c2c1=O	582381290	KCOUZUQBBPOKFD-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1sc(-c2ccccc2)nc1C	589790431	USHLEDRJLPJUIM-UHFFFAOYSA-N	417.987	5.731	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccc(Br)o2)cc1Cl	590254376	BFSKBIRROXGJKZ-IBGZPJMESA-N	419.681	5.585	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Br)cc3ccccc23)cc1	592727946	SAHGEGBEGKSILY-UHFFFAOYSA-N	424.298	5.162	30	20	HKED	
N#CC1(c2ccc([C@@H]3Nc4ccc(Cl)cc4C(=O)N3c3ccncc3)cc2)CC1	602756196	JXGBCUWCMDPIDY-OAQYLSRUSA-N	400.869	5.061	30	20	HKED	
CCCc1ccc([C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2cccs2)cc1	603796190	SZCVGPMFNALGLT-HSZRJFAPSA-N	403.551	5.503	30	20	HKED	
N#Cc1c(NC(=O)c2cc(F)c(Cl)cc2Cl)sc2c1-c1ccccc1CC2	603992509	XALDPIFCUHUQFQ-UHFFFAOYSA-N	417.292	6.084	30	20	HKED	
CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C#N)c1	604493726	DVOQUBRAFYYGNL-LBPRGKRZSA-N	416.852	5.002	30	20	HKED	
CC(C)[C@@H](C)N1Cc2cccc(N[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c2C1	609041051	BMZMQHQSOSGWIU-HZPDHXFCSA-N	410.949	5.011	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3csc(C4CC4)n3)cc2Cl)c1	609062804	ZOMQJUGYXNHWQY-UHFFFAOYSA-N	409.898	5.377	30	20	HKED	
C[C@@H](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccccc1F	609174576	ODZBJEIQQSAGBH-MHECFPHRSA-N	402.469	5.279	30	20	HKED	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610224219	JMBRAXKNAPKMHL-QRQCRPRQSA-N	420.944	5.163	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c(C#N)s1	611359844	PEDKMLKEFSNALM-UHFFFAOYSA-N	417.506	6.231	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	611557359	MDWDQWIQAXMCDO-GDBMZVCRSA-N	403.404	5.545	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	613319537	GORWVRYQZFPRGT-QGZVFWFLSA-N	422.872	5.278	30	20	HKED	
C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)c1C	614106426	YCFVXCQYJMPINA-UHFFFAOYSA-N	421.497	5.233	30	20	HKED	
Cc1ccc(-c2nc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)sc2C)s1	619612375	WIESAHYRBQAFTQ-UHFFFAOYSA-N	408.335	5.919	30	20	HKED	
C=CCN(C(=O)c1ccc(OCCC(C)C)c(OC)c1)c1nc2c(s1)CCCC2	623331675	FGPLNLVMVLZQCU-UHFFFAOYSA-N	414.571	5.288	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1	640554700	VZRURZUOVXLABY-UHFFFAOYSA-N	417.534	5.088	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)nc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	677778359	BETZMPJXFXUSSS-MBTKJCJQSA-N	423.279	5.131	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	682988410	FKPFCXWNWCVMRX-GWCFXTLKSA-N	406.433	5.281	30	20	HKED	
O=[N+]([O-])c1cc(C=Nn2cnnc2-c2ccccc2)ccc1Oc1ccccc1Cl	725856420	QYTICEDMBLWMOH-UHFFFAOYSA-N	419.828	5.181	30	20	HKED	
O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(-c2ccc(Cl)cc2)s1	727973945	DOKBXDCFWWERKT-AATRIKPKSA-N	416.955	5.258	30	20	HKED	
CN(Cc1ccccc1O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728121184	BOSXUDYBLNJPGN-UHFFFAOYSA-N	421.884	5.160	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1	729552536	HNEYFPOVGVIPPM-FQEVSTJZSA-N	418.566	5.460	30	20	HKED	
COCCOc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1	730464281	MXIVTBKAJBQKOV-HEHNFIMWSA-N	415.514	5.745	30	20	HKED	
Cn1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc(Cl)c1Cl	730995029	NMIHWOOKAAIZFX-UHFFFAOYSA-N	422.259	5.609	30	20	HKED	
Cc1ccc(CN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)c2ccc(F)cc2)o1	731214812	QPACPYCTBDUPSX-IBGZPJMESA-N	419.481	5.220	30	20	HKED	
C[C@@H](Nc1cccc(COc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2	732917561	XQTZFEZAVUGJII-MRXNPFEDSA-N	417.534	5.127	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C\c3ncc(-c4ccc(Br)cc4)[nH]3)c2c1	734306260	CTRXXIQOCKOLAM-HJWRWDBZSA-N	422.282	5.225	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)/C=C/c3ccccc3C#N)s2)cc1	739609690	DDKLFIQSRXNAMV-JKGDOXCYSA-N	401.535	5.531	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCCCC[C@H]3c3ccncc3)c2)s1	740484203	JIFMMNNOTGUMMY-QFIPXVFZSA-N	416.550	5.509	30	20	HKED	
COc1ccc2oc(C(=O)/C=C\c3cnc4ccc(Br)cn34)c(C)c2c1	740765680	NJICKLXEDPTNGG-XQRVVYSFSA-N	411.255	5.056	30	20	HKED	
CCOc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	742991989	DONXYBDGAQUGQZ-UHFFFAOYSA-N	419.506	5.567	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1C(F)(F)F	744396710	QDSCRISDBQZYCQ-GOSISDBHSA-N	419.472	5.097	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)o1	745820886	MHXCUVJERBKSAG-WEYGHZABSA-N	409.530	5.206	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S	746032527	BXPCVCPEGVWPHI-UHFFFAOYSA-N	421.545	5.146	30	20	HKED	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CC#N)C2CC2)c1=S	747789530	HAHVDEQGYHJQOM-MUQADHOPSA-N	413.616	5.085	30	20	HKED	
N#Cc1csc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1	748440349	KADWJBGDMAIXNG-MLPAPPSSSA-N	407.307	5.114	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	756230300	DMAVGRVILJJUEZ-CQSZACIVSA-N	423.271	5.814	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cc1	758584194	KAILENULOOQYOK-FPOVZHCZSA-N	417.465	5.064	30	20	HKED	
Fc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c2ncccc12	759185007	KLSSVGGDMLSSDO-UHFFFAOYSA-N	418.284	5.110	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1	759464434	WMJFHNKDFLBZHC-SCLBCKFNSA-N	412.898	5.116	30	20	HKED	
C=CC[C@@H](NC(=O)N1Cc2cc(OC)ccc2C[C@H]1c1ccccc1)c1ccncc1	759583635	RXTNFLVDOVDSCE-RPBOFIJWSA-N	413.521	5.217	30	20	HKED	
N#C[C@H](C(=O)/C=C\SCc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1	759832450	CINQSJUHSUNZGB-DZFYGRHCSA-N	400.912	5.680	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cc1	760006417	FYPQGPJRKARBKD-DEOSSOPVSA-N	423.516	5.395	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3ccccc3)cnc2C)c1	760807705	JSRHXJIKKLZROG-NRFANRHFSA-N	400.482	5.060	30	20	HKED	
Cc1nc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)sc1SCC#N	762187336	LQGYLWYXQOJRGA-WQLSENKSSA-N	417.865	5.305	30	20	HKED	
CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	763726320	WHKFKFFWAJIQDD-FQEVSTJZSA-N	407.876	5.798	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)s2)c(C)c1	764302975	ULNAMZLGYMXFDF-UHFFFAOYSA-N	412.858	5.113	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2[nH]ccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	765915801	MSVIPUVJHSNVKD-FIMWJMCYSA-N	411.408	5.686	30	20	HKED	
O=C(/C=C/c1cccc(OCc2ccc(F)cc2)c1)c1cccc(N2CCOC2=O)c1	766689279	UMTKWNCZRQPCBT-FMIVXFBMSA-N	417.436	5.257	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc2ccccc2nc1Cl	768406122	CUIJUJWBDUCORH-UHFFFAOYSA-N	422.941	5.537	30	20	HKED	
CCOC(=O)Nc1ccc2c(CSc3cccc(Cl)c3C#N)cc(=O)oc2c1	771458988	YKFCHZUXXDLKBI-UHFFFAOYSA-N	414.870	5.179	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccccc3F)nc2C)c1	772985444	RQAXCIAKYKGELV-QAPCUYQASA-N	409.530	5.789	30	20	HKED	
N#CCCCn1cc(C(=O)O[C@H](c2cccc(F)c2)c2ccccn2)c2ccccc21	774072029	LOURPAJKRVERNP-XMMPIXPASA-N	413.452	5.426	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCSCC2)c(C)c1	775585318	GGWPWWBQCWRWSA-UHFFFAOYSA-N	422.019	5.483	30	20	HKED	
CC(C)CN(C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)c1ccc(C#N)cc1	776767421	HMFPUVLYVBMAAF-UHFFFAOYSA-N	419.525	5.159	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NCc2ccc(N(C)CCC#N)cc2)cn1	777516392	XYEIDJZJZKIJLL-UHFFFAOYSA-N	402.498	5.153	30	20	HKED	
C[C@H](OC(=O)c1ccccc1Oc1ccccc1C#N)c1nnc(-c2ccccc2)o1	778178172	OTBDGUJOBHMQQD-INIZCTEOSA-N	411.417	5.319	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	779988111	AKGKZTSEUZFAIT-CYBMUJFWSA-N	403.429	5.732	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	780156975	FFJMLZOIIKLEEQ-GFCCVEGCSA-N	417.412	5.372	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)N4CCC(C)(C#N)CC4)cc3C2)cc1	780636333	RWRMBIQYRRQVHA-UHFFFAOYSA-N	402.542	5.488	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccccc1O[C@H](C)C#N)C1CC1	780674975	KWMVRCUINNCQJR-CABCVRRESA-N	417.431	5.754	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(COCc2ccccc2)c1	780675837	HKRWCNGTDWBXTK-LJQANCHMSA-N	415.493	5.016	30	20	HKED	
C[C@H](OC(=O)CCC(C)(C)C(=O)O[C@@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1	783989521	UZXDEPKNYKCDNX-ROUUACIJSA-N	418.493	5.145	30	20	HKED	
C[C@H](OC(=O)c1ccc(C(F)(F)F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F	784247684	UEUUQRRQYNRMFG-VIFPVBQESA-N	423.284	5.047	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](CC#N)c3ccccc3)n2)cc1	796660205	CAILZMQGLBSJHZ-ICSRJNTNSA-N	401.491	5.083	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl	804464997	YWEYTBWXFQGLOR-BAQGIRSFSA-N	413.823	5.062	30	20	HKED	
O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cc(F)c(C(F)(F)F)cc1F	804629086	YMDYGQDHQKPNQQ-UHFFFAOYSA-N	401.297	5.369	30	20	HKED	
Cc1cccc2cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)sc12	808631349	ZVNQABFNVAXSRC-OAHLLOKOSA-N	424.547	5.400	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NCc1cc(C#N)cs1)CC(C)(C)O2	810176250	TZXXTXIVOWMIBO-GOSISDBHSA-N	413.543	5.359	30	20	HKED	
COc1ccc(Cl)cc1NC(=S)Nc1ccc(Oc2ccnc(C#N)c2)cc1	811707829	KBHXYLYJLDGPTK-UHFFFAOYSA-N	410.886	5.216	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2C)cc1	813210882	AOGCREZLAHXIMO-IBGZPJMESA-N	413.399	5.007	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(Br)c1	813214709	RNHCGIGAKAXAAB-AWEZNQCLSA-N	411.221	5.017	30	20	HKED	
Cc1ccc(NC(=O)c2cc3ccccc3cc2OC(=O)c2ncc(C#N)cc2C)cc1	816020334	KDJYGBXGYAXUML-UHFFFAOYSA-N	421.456	5.195	30	20	HKED	
CCCCCCCCCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1	864761643	PVMLDSLFKKQWPQ-UHFFFAOYSA-N	421.607	5.017	30	20	HKED	
COc1ccccc1-c1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)no1	915084986	CLHKCFVUIKEQEI-NRFANRHFSA-N	409.445	5.258	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1	916912096	XPEULFSEYOGAPU-JOCHJYFZSA-N	402.494	5.317	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	916974939	SCXPEOQBMFCXNR-PXNSSMCTSA-N	404.535	5.887	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2)o1)c1nc2cc(Cl)ccc2s1	917043517	JJCHGNVPFSSCCO-QGZVFWFLSA-N	406.894	6.019	30	20	HKED	
CN1c2ccccc2C(=O)N(c2ccccc2Cl)[C@H]1c1cccc(OCC#N)c1	917503772	WYDJUQWVDJJFKW-QFIPXVFZSA-N	403.869	5.038	30	20	HKED	
C[C@H](Cc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	921136495	KHVZOLZPJPKPGF-IUODEOHRSA-N	400.425	5.282	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1	1788417101	WFBJGEOVYIOLNU-UHFFFAOYSA-N	406.507	5.046	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(C)o3)cc2)CCC1	1789585156	FVIAHJMNCKTQKF-VHEBQXMUSA-N	418.537	5.319	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(C)c2C)cc1	10167700	YTWIBTCALFNZFC-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1cc(F)ccc1F	20852443	KGZGNWUSPQRJSI-UHFFFAOYSA-N	409.413	5.027	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)c2)c(C)c1	41574642	IOXLHFVVOLAYDS-OAQYLSRUSA-N	401.535	5.493	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccccc1	42087237	BPMBJMBGYMASOI-CYBMUJFWSA-N	416.909	5.043	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48125950	VCXNYYXMXGWSAW-UHFFFAOYSA-N	410.477	5.031	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1	62903591	HNPTVXFYVFQZIG-UHFFFAOYSA-N	421.953	5.016	30	20	HKED	
Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cc(O)ccc2C)c1	63851662	UMFCCRHWLZQXKB-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	111020697	AKFBDSNNHBBGLV-UHFFFAOYSA-N	417.509	5.062	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc2ccccc2n1C(F)F	149730939	NECUACCBDPJAFG-GFCCVEGCSA-N	412.396	5.184	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNCc2cn(CCC#N)nc2-c2ccccc2)cc1	237643376	BEGOJUQOWGXVND-OZXSUGGESA-N	414.553	5.030	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1	303279847	UGDYHKGIPVOBAV-UHFFFAOYSA-N	418.516	5.009	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OC(F)F)c2)c1	303962340	OBACSKUTXHOJRL-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)ccc1Cl	391536862	GZOIJBDWSNAIPK-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1	410349948	CNTVCFHCMPDVBR-GOSISDBHSA-N	415.493	5.583	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cccc(SCC#N)c1	429954165	WIGITQGCXYHOHE-UHFFFAOYSA-N	401.491	5.115	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c(Cl)c1	430364300	AYENKHQVERONQZ-UHFFFAOYSA-N	418.305	5.082	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1	430932305	DWOKWTLXABDYTA-DEOSSOPVSA-N	414.530	5.147	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1	431878827	COZHGWXZCBJSKA-YZGWKJHDSA-N	401.432	5.296	30	20	HKED	
Cn1cc(CCNC(=O)N[C@H](CCCC#N)c2ccccc2)c2ccc(Cl)cc21	431913672	WMATWINQAQLNIV-OAQYLSRUSA-N	408.933	5.109	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1OCC(F)(F)F	435206297	LVHAUEMJVBTXLJ-FUHWJXTLSA-N	421.394	5.070	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	437390810	UUVJLXONQSTSPN-CYBMUJFWSA-N	405.857	5.687	30	20	HKED	
N#Cc1csc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1	437574259	DBLZCDIJSQWUTG-UHFFFAOYSA-N	402.306	5.164	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccccc1SC[C@H](C)C#N	438065338	ILWAECVKPZGBRZ-TZIWHRDSSA-N	409.599	6.122	30	20	HKED	
CCO[C@@H](c1noc([C@H](C)c2cccc(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	463044844	PWAROJFXLGSABE-KZULUSFZSA-N	419.378	5.377	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1	463820979	PRAYDSFKVXERGD-GAJHUEQPSA-N	403.913	5.348	30	20	HKED	
CC(C)(C)[C@@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	464159237	LXQVWYXPYCUJPF-JOCHJYFZSA-N	409.580	5.526	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(COc2ccccc2F)on1	464438540	LHILFEVJDJVIJK-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Cc1cccs1	466141409	NFLJATWSVLQHJS-GOSISDBHSA-N	419.550	5.393	30	20	HKED	
O=C(CSc1cccc(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F	468528689	NWDORVYGJAZDJN-UHFFFAOYSA-N	413.305	5.141	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](c2ccsc2)O1	470760775	SLCDIKXHJPSWGV-GAJHUEQPSA-N	418.518	5.209	30	20	HKED	
CCC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	471033535	VENYLLURMUIIRK-UHFFFAOYSA-N	400.434	5.204	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1	471164408	GKBLSWNYRYXGSD-UHFFFAOYSA-N	412.534	5.138	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1	473637910	DHBPKTUTBCNVKD-XWBFJWKOSA-N	415.584	5.043	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1	475322238	OCBQGGGDUJPMGF-SFHVURJKSA-N	405.885	5.340	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)NCCSCc1ccccc1C#N	475969640	MZUGCBDSOOJANF-UHFFFAOYSA-N	411.571	5.237	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1	476116678	DBVJFYDYMASURQ-UHFFFAOYSA-N	420.944	5.902	30	20	HKED	
Cn1cc(CNc2cccc(COc3cccc(F)c3)c2)c(-c2ccc(C#N)cc2)n1	478239338	XWLIOVNGFQTNFA-UHFFFAOYSA-N	412.468	5.289	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)oc12	483188472	AWLVLDOBCXOLKL-QGZVFWFLSA-N	405.251	5.542	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1	487605386	HSJPABKBAYJNIN-JOCHJYFZSA-N	414.505	5.636	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1	488324637	JTPMVBZTFIETLL-QWRGUYRKSA-N	414.478	5.439	30	20	HKED	
CC(C)n1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	503520787	JIEHRVZCRRYFHM-CYBMUJFWSA-N	405.310	5.384	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c3c(C)noc3n2)c(C)o1	505794750	FQKQHCUUBCSIFM-IBGZPJMESA-N	420.856	5.056	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CCC[C@@]12CCCCO2	505839966	VNFYUCUKUXUNEX-UGKGYDQZSA-N	423.563	5.092	30	20	HKED	
COc1ccccc1CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510004995	ITIRBYXVQQAKMK-NRFANRHFSA-N	419.912	5.668	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	510025303	BRNJMFMLYKOYPP-JTHBVZDNSA-N	419.912	5.505	30	20	HKED	
N#Cc1cccc(CNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1	510590254	OWSHAIIOADKODH-UHFFFAOYSA-N	424.529	5.024	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510677377	CKZJKVLRGXKTSU-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1OCC(F)(F)F	513116132	ZWEMOMRVQXLQNU-UHFFFAOYSA-N	410.395	5.096	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(C(F)(F)F)cn1	513171498	QZDZSUPBBGQTIL-INIZCTEOSA-N	422.366	5.036	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1	515002958	TYGHBGVFIRGQJC-PSGUAHCZSA-N	420.509	5.043	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(C)ccc4nc3C)n2)cc1	516270383	VTOSFIQNGVPIIM-HXUWFJFHSA-N	413.502	5.474	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	517345277	FUIJTUWEGAYQIA-DNQXCXABSA-N	412.489	5.082	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1	518850182	OZJCYWHGKMDZFL-XNJGSVPQSA-N	413.226	5.497	30	20	HKED	
CN(C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1cccc(C#N)c1	520004901	LNWUIDHIDAGFAN-UHFFFAOYSA-N	416.477	6.012	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)c2)cc1	520601502	VWGAEBVOYNFQHE-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
CC(C)Oc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)c(C(F)(F)F)c1	521078035	FYWVWIPHWIGUFS-UHFFFAOYSA-N	420.431	5.552	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	521811587	MMZRMAGIHKKFAG-KGLIPLIRSA-N	422.381	6.613	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCSC[C@@H]3c3ccccc3)c2)cc1	522328994	LKWGRFHVPXLOSK-XMMPIXPASA-N	414.530	5.068	30	20	HKED	
C=CCc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2c(Cl)cccc2Cl)o1	523226832	HPQMGRIYKVMXBC-UHFFFAOYSA-N	406.225	5.259	30	20	HKED	
CC(C)(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc12	524431758	XZLSIQREIRKIIW-ZDUSSCGKSA-N	410.886	5.273	30	20	HKED	
CCCOc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc2ccccc12	524473645	YMDHHVKXASUERG-LJQANCHMSA-N	413.502	5.637	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccccc1F	525046530	CFARXQRKODMKFX-OAHLLOKOSA-N	421.501	5.097	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1C(F)(F)F	525257162	JTLPXKYFMXWRCA-SECBINFHSA-N	422.291	5.293	30	20	HKED	
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NCC(C)(C)CCC#N)cc2Cl)n1	532888835	GZDIFEQGXSLMNI-MRXNPFEDSA-N	401.942	5.095	30	20	HKED	
CCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(C#N)c(Cl)c1	535878774	XCNGSTNEDXNGQY-UHFFFAOYSA-N	413.886	5.094	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1SCCC#N)c1cccc(C(=O)c2ccccc2)c1	536422636	YWGJZGKJTMYZKU-GOSISDBHSA-N	414.530	5.666	30	20	HKED	
N#CCCn1cc(CN2CCC(=Cc3ccccc3F)CC2)c(-c2ccccc2)n1	538808788	QOAQIDXMVFJJBB-UHFFFAOYSA-N	400.501	5.282	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nc(CN2CCCCC2)cs1	548482772	JXBOHQJWDBWHFJ-UHFFFAOYSA-N	410.996	5.064	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)Nc1ccccc1SC[C@H](C)C#N	554877484	JJMYTXUYCDTCOU-QGZVFWFLSA-N	416.550	5.877	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2ccccc12	557728152	PFIJFAOBGXKFQV-JPYJTQIMSA-N	415.562	6.603	30	20	HKED	
Cc1c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)sc2ccc(C#N)cc12	559949687	MTFVHJHMRWCHHK-INIZCTEOSA-N	409.486	5.064	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1F	575792045	UPHQPSHRFCFUTH-NRFANRHFSA-N	408.408	5.297	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN4c5ccccc5C[C@@H]4C3)cc2)cc1	576075624	YLJBXECDJYFPDR-JOCHJYFZSA-N	424.504	5.019	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(Cc2ccccc2)CCCC1	582872403	YPYPJFTXZUVILY-IBGZPJMESA-N	407.583	5.022	30	20	HKED	
N#CCCCCCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1	588151787	WABDRFBBPNKIJT-HXUWFJFHSA-N	415.990	5.091	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)n2)cc1	589196265	MOBKOIUBZNGDBE-HZPDHXFCSA-N	413.424	5.443	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cccc(Oc4nccs4)c3)cc2)ccn1	589470194	WDYMHXIRIKTHSO-UHFFFAOYSA-N	414.446	5.247	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc2cc(F)ccc2s1	592974365	VLWYVTVRMNLSAX-MRXNPFEDSA-N	404.491	5.753	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3sccc3-c3ccccc3)s2)cc1	602229665	REKYJSHIIMAOMW-UHFFFAOYSA-N	401.516	5.586	30	20	HKED	
N#CC1(c2ccc([C@H]3Nc4ccc(Cl)cc4C(=O)N3c3ccncc3)cc2)CC1	602756179	JXGBCUWCMDPIDY-NRFANRHFSA-N	400.869	5.061	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cc1	603527072	ASWORZOZEYMPAO-UHFFFAOYSA-N	405.523	5.050	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)N(CC(C)C)c3ccc(C#N)cc3)cs2)cc1	603529888	RCTYOEDPORXUJM-UHFFFAOYSA-N	419.550	5.312	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC	603622709	WZLLGHYXZMCKFF-UHFFFAOYSA-N	423.856	5.059	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCc1nnc(-c2ccccc2)o1	603968624	GYHNHXXQOZPYHT-UHFFFAOYSA-N	414.490	5.298	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)cc1	604463493	NQEITFVFQQGBFN-UHFFFAOYSA-N	416.477	5.666	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	604497335	MATUOZNKRUXGRB-UHFFFAOYSA-N	424.957	5.701	30	20	HKED	
CSCc1c(C(=O)N[C@H](C#N)c2cccc(Br)c2)oc2ccccc12	604545476	DNMDRIAVXQKTFG-MRXNPFEDSA-N	415.312	5.053	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1sc2cccc(Cl)c2c1Cl	608882915	LIZAZABFMJGVQZ-UHFFFAOYSA-N	406.294	5.538	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)sc2C)cc1	609068059	HYQOHXVLDGVZRL-UHFFFAOYSA-N	414.433	5.458	30	20	HKED	
CC(C)Oc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	609262028	GDNDJJLXALGMKT-UHFFFAOYSA-N	400.478	5.371	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CSc3ccccc32)cc1	609814950	JOOJCCGAJILJQG-OAQYLSRUSA-N	400.503	5.160	30	20	HKED	
C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610015373	GNGWRNITUWJXBR-HNNXBMFYSA-N	402.429	5.036	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	610018662	UVRZIMXXJZUJJW-QFIPXVFZSA-N	418.472	5.286	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)c1ccc(C#N)cc1F	610153797	WEZSSUDYVBZLOQ-UHFFFAOYSA-N	403.457	5.459	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@H](CCC#N)c3ccccc3)cs2)cc1	610976287	JRKJESNMHGCJMN-JOCHJYFZSA-N	403.551	5.637	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc3ccc(F)cc3s2)c1C#N	614969937	MYKGORIBDHEQTH-UHFFFAOYSA-N	408.483	5.072	30	20	HKED	
O=C(c1ccc(C(F)(F)F)cc1Cl)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	678731257	MKINPFCRMJUQDP-IUCAKERBSA-N	413.667	5.172	30	20	HKED	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S	726801098	DNSHSHIARUDEFH-RUAUKMDKSA-N	408.548	5.332	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)cc1	727355263	PDGWFTPIQJDMFZ-IBUXMESJSA-N	408.910	5.408	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12	728873927	DWTBTAHBFDHKHF-CQSZACIVSA-N	408.299	5.038	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)n1	730072763	XUEOJBBAUDAGSG-DNVCBOLYSA-N	400.475	5.440	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F	730995815	URXRLWJQEVWVKH-HNNXBMFYSA-N	408.473	6.136	30	20	HKED	
CC/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	731077907	LNYNMWJPTMIQNM-PQMNFKMDSA-N	408.523	5.056	30	20	HKED	
Cc1cc2occ(CC(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2cc1C(C)C	734082044	WMTLDBPNBAOSQF-HXUWFJFHSA-N	415.518	5.802	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	739141738	BDXCYDAGDZBZSH-KDOFPFPSSA-N	419.550	5.208	30	20	HKED	
O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)c1cccc(-c2ccncc2)c1	741473507	RIJRQTPMPJUVJK-SNAWJCMRSA-N	422.278	5.178	30	20	HKED	
CCCn1ccc2ccc(NC(=O)NCc3ccc(OC)c(O[C@@H](C#N)CC)c3)cc21	743180627	ZSAUBJODIQPNNJ-HXUWFJFHSA-N	420.513	5.063	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1	743450083	XBGPQVWPZRPLJH-NUTQULCTSA-N	414.436	5.369	30	20	HKED	
COc1ccc(CCC(C)=NOCc2cccc(C(=O)Nc3ccccc3)c2)cc1	744179506	XENBMFBNRYKCKD-UHFFFAOYSA-N	402.494	5.473	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746436191	FFNBEKMLTROHCQ-ZBEGNZNMSA-N	417.305	5.191	30	20	HKED	
Cc1ccsc1CCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	748833501	FNOMCFAERQVWEB-LJQANCHMSA-N	418.518	5.519	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1	748950600	YMQCYSHAFKVYLL-QFIPXVFZSA-N	423.875	5.139	30	20	HKED	
C[C@@H](ON=CC(=O)Nc1ccccc1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753822459	WZCGOAZVGLNHLQ-GFCCVEGCSA-N	404.253	5.351	30	20	HKED	
Cc1noc(C)c1CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	753880224	CUFIEYTWMNPWED-UHFFFAOYSA-N	424.888	5.363	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)n1	760005995	CMGXIUUOIWUTDD-QHCPKHFHSA-N	422.488	6.258	30	20	HKED	
CCOc1ccccc1C=NO[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760422331	ZIFPQPKBFTYENC-LBPRGKRZSA-N	406.269	5.554	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CNC2(c3nc(C)cs3)CCCC2)c1=S	764120521	JSJSXSJRWHPKQP-UHFFFAOYSA-N	417.629	5.110	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	764377490	WBESKYGEIQUDRP-LJQANCHMSA-N	423.557	5.170	30	20	HKED	
CC(C)CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	764755229	QGDBIQNPBGCJHE-UHFFFAOYSA-N	416.202	5.017	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	766844619	SOJCTTLHOPYZGK-INIZCTEOSA-N	401.413	5.033	30	20	HKED	
COc1ccc(CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1OCCCC#N	770289122	BVYQUGRKARLZNZ-ZEQRLZLVSA-N	422.569	5.246	30	20	HKED	
Cc1ccc(C(F)(F)C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	779831840	GDOQTGSBPBBGBA-RYUDHWBXSA-N	403.313	5.113	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	780671782	UZTHABPUXPDRSS-AOMKIAJQSA-N	405.885	5.542	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](c3ccc(C)cc3)C2)c1=S	784025843	PWTFYCDOYXAUPF-HXUWFJFHSA-N	420.582	5.031	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCCN1c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	786311713	MJLBWZPSOWYPHW-AZUAARDMSA-N	407.926	5.309	30	20	HKED	
COc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1Cc1ccccc1	788523037	FXLXHHHOEOUYTH-UHFFFAOYSA-N	423.520	5.070	30	20	HKED	
COc1ccc(-c2ocnc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	808240416	UMFRLQIOYXSUPU-QFIPXVFZSA-N	409.445	5.258	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CC(C)(C)O2	810175256	HNWYIWQEVQKXGD-HXUWFJFHSA-N	407.514	5.297	30	20	HKED	
N#Cc1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1[N+](=O)[O-]	811830728	BUXQEBRKXAWCSH-UHFFFAOYSA-N	410.792	5.255	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	813533514	BRBXDVNYHYECNE-UHFFFAOYSA-N	414.571	6.224	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(COc2ccc(F)cc2)n1	885361593	HEKJLTSIUMUDLA-UHFFFAOYSA-N	422.934	5.405	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N(O)Cc3cc(Cl)cc(Cl)c3)o2)cc1	901379843	GNVNTTVRKMTNAI-UHFFFAOYSA-N	405.281	5.307	30	20	HKED	
FC(F)(F)c1cnc(NN=Cc2ccccc2OCc2ccncc2)c(Cl)c1	914692981	DQEIVCOKBUAAES-UHFFFAOYSA-N	406.795	5.174	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1-c1ccccc1	916283814	UVJGDGBJOZXCAV-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917026245	CTMSKBGCJSOITL-KUHUBIRLSA-N	421.547	5.126	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl	917427117	SIJZKXNPQQLSDK-GOSISDBHSA-N	411.288	5.427	30	20	HKED	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc(C)c1OC(F)F	917644480	FVVYYCVECLUVOJ-CXUHLZMHSA-N	416.474	5.182	30	20	HKED	
Cc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)c1	920806973	VDCXAPOUSAFUBH-AWEZNQCLSA-N	414.502	5.674	30	20	HKED	
N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2ccc3nc(O)[nH]c3c2)cc1	1299467336	VGKCWEMQBIBUAT-UHFFFAOYSA-N	420.881	5.197	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(OC)cc1)[n+]1ccccc1CC	10174415	KACHJLCZEPGPPQ-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccccc1	10836327	MKHDDHQWXSDTJV-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCSc2ccc(Cl)cc2)n(Cc2ccco2)c1C	14787051	XLSWZZZNNODMHW-UHFFFAOYSA-N	413.930	5.392	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1	22730191	AQBIBZRFLMTOJI-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)C1(C#N)CCCCC1	23422023	AIYYVZLJLHKJSG-UHFFFAOYSA-N	422.579	5.135	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1cc2sc(Nc3ccccc3)nc2s1	32617500	UJSFQRBLRRBEFU-UHFFFAOYSA-N	404.520	5.245	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2n1C(F)F	41558360	OTRXQCYQSXPXNS-ZDUSSCGKSA-N	411.795	5.835	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)ccc1Cl	53887702	NKOBQJKFUOKNSF-UHFFFAOYSA-N	416.289	5.431	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc3ccccc23)cc1	58428410	TWHUMDLSZDJGDC-UHFFFAOYSA-N	421.500	5.807	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2C)nnc1-c1cccc(Cl)c1	59794798	IQQMTAXVYZLLEK-UHFFFAOYSA-N	412.946	5.214	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3cccc(CN4CCCC4)c3)c2)c1	60974042	YLDYLAUCUYXBSB-UHFFFAOYSA-N	411.549	5.023	30	20	HKED	
CCCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)C)cc1	61963729	VUVPKANUZGSHPI-OAQYLSRUSA-N	411.933	5.006	30	20	HKED	
N#Cc1ccc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1	69894604	XXLYGUQCYBOBDZ-RUZDIDTESA-N	416.569	5.247	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1ccccc1	105903645	JLOMDYVRTGXDAV-UHFFFAOYSA-N	408.914	5.732	30	20	HKED	
CC[C@@H](C)N(Cc1ccc(-c2ccccc2C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1	112654873	MVGOYYJBJHPCLN-LJQANCHMSA-N	422.532	5.262	30	20	HKED	
CN(C)c1cc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc2n1	237173091	KALPVBMOZAZVQG-UHFFFAOYSA-N	422.532	5.041	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	302973212	ILONJBLOTJMTNF-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	303887502	ZCGFVAJMRCVUEJ-SFHVURJKSA-N	421.415	5.080	30	20	HKED	
Cc1sc(NC(=O)c2ccc(Br)cc2C(F)(F)F)c(C#N)c1C	323586732	BJZYMSQJFIQVIJ-UHFFFAOYSA-N	403.223	5.270	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cccc(SCC#N)c2)C1	409965247	IAUOBQPZDCLTHE-AUUYWEPGSA-N	404.457	5.544	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1-c1ccccc1	428208977	XMQVBDAIOAGCBM-UHFFFAOYSA-N	400.482	5.037	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)s1	430609614	HUNFLAQUBPGFCM-CYBMUJFWSA-N	419.428	5.604	30	20	HKED	
CN1C(=O)N([C@@H](CCCC#N)c2ccccc2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1	432043156	ZKNAQHJFGRJINW-OALUTQOASA-N	416.308	5.364	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433614675	AEVRAFOMHMYWCA-HWPZZCPQSA-N	422.344	5.692	30	20	HKED	
C[C@H]1CCCN(CCCCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	438654021	YTPSQGCCTZHMLS-SFHVURJKSA-N	424.520	5.123	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)o1	440617508	TVLAJUINYUEXSQ-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
O=C(CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1	444738115	CKWNRNSOXVUJER-HNNXBMFYSA-N	408.317	5.066	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2Cl)cc1	446842980	ZEXBLNFVPIANLY-IBGZPJMESA-N	421.888	5.486	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(OCC)cc2)n1	461685878	MCQBOXXFUHDFSD-UHFFFAOYSA-N	420.538	5.084	30	20	HKED	
C=CCOCCCC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C	463339411	HQJPINVGRUJTMH-YLJYHZDGSA-N	422.956	5.839	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	463588050	KKNHXADCSWTVSQ-DLBZAZTESA-N	423.394	5.214	30	20	HKED	
C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	464447960	UQVLMTJHZVREHD-ZDUSSCGKSA-N	408.395	5.638	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CC=C(c4cccc5ccccc45)CC3)on2)c1	469059799	QYGZTPOJYSTSGF-UHFFFAOYSA-N	405.457	5.296	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](c2ccsc2)O1	470597177	CWMQUZCPLQTGLB-KSFYIVLOSA-N	419.506	5.406	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	470626773	ODKOXMCUZHAFLM-LLVKDONJSA-N	418.309	5.084	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nnc(C2CCCC2)o1	471337009	OVLRIZHXSMWZIE-UHFFFAOYSA-N	416.481	5.271	30	20	HKED	
Cc1cc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(C(F)(F)F)o1	472379952	ILEJTCOQMHJVPO-LLVKDONJSA-N	417.252	5.242	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1	474497450	OCFIMCNABRJOOM-JOCHJYFZSA-N	420.488	5.540	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1ccn(-c2ccc(F)cc2)n1	475548929	PETPEFQDTTVNDJ-UHFFFAOYSA-N	406.505	5.228	30	20	HKED	
COc1ccc(CN(C(=O)C[C@H](CC#N)c2ccccc2)C2CCCCC2)cc1OC	475773506	XXPBMXPYFSKYQL-QFIPXVFZSA-N	420.553	5.453	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1	476601930	LJNADRFFSJIJHT-KBXCAEBGSA-N	414.349	5.513	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	480555180	NGYNZQIIJYEPKE-AUUYWEPGSA-N	403.404	5.545	30	20	HKED	
C=CCOc1ccccc1C(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1	480779123	PDCQDUMTBLQDNM-SFHVURJKSA-N	415.493	5.386	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)nnc1-c1ccccc1C	481334548	BADFDKVDOXGNGI-MOPGFXCFSA-N	420.582	5.106	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCCc1cccc(F)c1	486102895	OSYUZSZFHGGWDW-INIZCTEOSA-N	402.560	5.524	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	488313107	ARBLDZAVYZHTDO-RDTXWAMCSA-N	403.935	5.243	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)C12C[C@H]3C[C@H](CC(CC(=O)N4CCCC[C@@H]4C=C)(C3)C1)C2	488873172	SUXCJPVRLINJRH-XTXVXTDHSA-N	424.629	5.097	30	20	HKED	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl	490498094	BZKGVCHFNQLPSN-MRXNPFEDSA-N	417.896	5.037	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1	494261148	CKQCJJFJEHCDSG-UHFFFAOYSA-N	410.521	5.746	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1(F)F	494508490	ITWNJKUFNMZVRD-RDTXWAMCSA-N	403.860	5.504	30	20	HKED	
Cc1c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)sc2ccc(C#N)cc12	497705277	FRFSDMFRHHNHBP-PKOBYXMFSA-N	414.889	5.134	30	20	HKED	
C=CCn1c(C)cc(C(=O)COc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)c1C	500922205	WVNPLXYRLQWERU-UHFFFAOYSA-N	416.521	5.138	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	502790545	NLTUFABPNPALAF-VLCRHTCISA-N	417.578	5.197	30	20	HKED	
CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	503221758	CMEIIVIXOXUSIX-IIBYNOLFSA-N	415.990	6.595	30	20	HKED	
N#C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1c(Cl)cccc1Cl	505531728	FRAYNBXOJCZVOC-OAHLLOKOSA-N	404.322	5.307	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510864819	VDEKHFOEISJQIC-UHFFFAOYSA-N	409.898	5.785	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H]3CCC[C@H]3c3cccc(C(F)(F)F)c3)o2)c1	511873868	CKMFZHXPPWMYCJ-RBUKOAKNSA-N	412.415	5.053	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl	512085629	XMCJBALFMCKBJD-INIZCTEOSA-N	412.917	5.131	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cnn(-c2ccccc2)c1	512803721	ZYTQFMXDAATTNQ-UHFFFAOYSA-N	423.476	5.166	30	20	HKED	
N#Cc1c(NC(=O)c2csc(-c3ncccc3F)n2)sc2c1CCCCCC2	512920740	AGUZOSHYEYSICA-UHFFFAOYSA-N	412.515	5.189	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c1	513279001	JWPISVXQWHZZMA-SANMLTNESA-N	419.484	5.052	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)cc3nccnc23)cc1Cl	515701529	RFFPBVROFUHVTR-IBGZPJMESA-N	416.843	5.330	30	20	HKED	
Cc1cc(CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C2CCCC2)c2ccccc2n1	517645064	YZWYXPVXAHUYNB-LJQANCHMSA-N	413.521	5.154	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)c3ccccn3)cc2)cc1	517654918	NJJPSTPMGPRMQK-AREMUKBSSA-N	419.484	5.459	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)s1	517727987	RYBVTMBVBMEWJQ-UHFFFAOYSA-N	416.893	5.649	30	20	HKED	
CCOc1ccccc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N	518147409	MSYOPLMGZZRMLF-MRXNPFEDSA-N	400.569	5.351	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	518255457	MXYCAFMIUJEVTH-FOIQADDNSA-N	401.963	6.253	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2cc(C3CC3)nc3ccccc23)CC1	518428414	QOABNUMZHFZNLK-UHFFFAOYSA-N	411.505	5.104	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2c1C(=O)CCC2	520836838	AQEYRMDFQFKIGK-UHFFFAOYSA-N	422.428	5.384	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1	520875739	TTYMSGATAQLIKB-HKUYNNGSSA-N	408.926	5.159	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2)nc1	521086020	IAWYYYOIIDPWGJ-RUZDIDTESA-N	419.484	5.459	30	20	HKED	
C=CCN1CCC(NC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1	521604146	UAYURJKTFMEVPN-UHFFFAOYSA-N	418.368	5.032	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1	521878554	AXSFVVUKDCXYQM-SANMLTNESA-N	405.501	5.642	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1ccccn1	522487805	LCPWXSFUNAKFKB-INIZCTEOSA-N	402.450	5.749	30	20	HKED	
N#Cc1cc(NCC2(c3ccc(Br)cc3)CCOCC2)nc2ccccc12	522936204	NZAWDQSHVNNGDO-UHFFFAOYSA-N	422.326	5.029	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nc(C4CC4)no3)cc2Cl)cc1	523490124	UUMJAXMJIIAKHB-UHFFFAOYSA-N	422.872	5.226	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	523617887	HGXFVTZHYVHJKN-UHFFFAOYSA-N	406.530	5.295	30	20	HKED	
C=CCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccccc1	524659937	BJTNHQNOVJFZSE-UHFFFAOYSA-N	400.265	5.409	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1F	524711011	KQDWGDXSQMIWIN-UHFFFAOYSA-N	416.387	5.067	30	20	HKED	
COc1cc(CNC(C)(C)c2ccccc2OC)ccc1OCc1cccc(C#N)c1	532690256	UYBMOIWOPCETGR-UHFFFAOYSA-N	416.521	5.179	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(C(F)(F)F)cc1	534848871	WOCNNEUAOLDXJI-HZPDHXFCSA-N	410.461	5.451	30	20	HKED	
COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	535599768	SAOCQUCQQBFZAX-ZWKOTPCHSA-N	411.571	5.289	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc([C@H]2CCOC2)c1	536417816	YZLIWUVHQLPUCS-INIZCTEOSA-N	420.456	5.467	30	20	HKED	
C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	537696973	IVKRTAHERJAMKM-HZPDHXFCSA-N	401.441	5.033	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	538130603	FMAFCCWMEVRVBW-MAUKXSAKSA-N	401.963	5.271	30	20	HKED	
CC(C)Cn1ncc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C(F)F	540254878	RPSXRDZWIGORSM-UHFFFAOYSA-N	423.467	5.337	30	20	HKED	
Cc1cc(-c2nnc(NCc3cccc(OCc4ccccc4C#N)c3)o2)c(C)o1	543677318	PKOGEHQRNANIDB-UHFFFAOYSA-N	400.438	5.009	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CC)CC(F)(F)F	546909544	WKAHARBPXQEHOX-CYBMUJFWSA-N	411.237	5.017	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1	548999577	AJTJGOGAXKLKKU-UHFFFAOYSA-N	419.447	6.073	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)C[C@@H]1CCCOC1	549734685	NFDOBHLWIWNYNS-UXHICEINSA-N	420.557	5.010	30	20	HKED	
C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1OCCc2sccc21	553858376	YPABWRZYEAQESJ-OYHNWAKOSA-N	420.559	5.203	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCC1(C(F)(F)F)CC1	553943234	FMMXGELATSUCCJ-UHFFFAOYSA-N	422.291	5.208	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)c1	556968946	NQZPSEGUZYSQNH-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#CCC1CCN(c2nnc(-c3ccc4ccccc4c3)n2Cc2ccccc2)CC1	558924887	BDTMCRCOUGUEFF-UHFFFAOYSA-N	407.521	5.277	30	20	HKED	
N#Cc1c(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc2cc(Cl)ccn12	561134044	CAFFSLMRSUXYQN-UHFFFAOYSA-N	412.280	5.038	30	20	HKED	
COCC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	569479746	HEXRVCVJEIRDTJ-UZLBHIALSA-N	405.325	5.275	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c1	577089021	HCWNLYUCZCXMEW-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
Cc1ccc([C@@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	577919641	IXQOUQISVQCRJZ-FQEVSTJZSA-N	413.521	5.565	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OC)cc1C(F)(F)F	588303292	RARCGGVNTQTYIL-UHFFFAOYSA-N	418.868	5.327	30	20	HKED	
N#CCCCn1cc(-c2nc(Cc3ccc(OC(F)F)cc3)no2)c2ccccc21	589072272	GHRJXPOGYKSGTL-UHFFFAOYSA-N	408.408	5.187	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc2cc(F)ccc2s1	592973649	DDZVLEQDFBNYIL-IBGZPJMESA-N	418.518	6.218	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)o1	603870301	LOAKEQZPTBCHRB-FQEVSTJZSA-N	406.869	5.361	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(F)cc2Br)sc2c1CCCCCC2	603996401	OAUOTXKAXNBKEH-UHFFFAOYSA-N	407.308	5.433	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	604461417	XJTYHKRDJCPCJB-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1Oc1ccncc1	604691022	WYTPCBKAFBOVHE-QGZVFWFLSA-N	418.403	5.417	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)ccc1OCC(F)(F)F	608994709	RHOILXOKBUAYGL-QGZVFWFLSA-N	417.431	5.301	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccccc3SCc3ccco3)CC2)c1	609185392	WWPPPEKMUGBDBU-UHFFFAOYSA-N	418.518	5.127	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(Br)cc1F	609376691	GZQFTYHOFAVYCN-ZDUSSCGKSA-N	421.335	5.411	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1	609384631	ZJZGRXJKEOIWNV-SFHVURJKSA-N	402.519	5.765	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1	609384744	OMIVJWADFISLHZ-ZIAGYGMSSA-N	422.381	5.534	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2)c1	609433753	GJKZEQXLDCFPDE-QHCPKHFHSA-N	417.465	5.157	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4c(ccc5ccccc54)s3)cc2)nc1	609496383	QOLVUOCPANZVCE-UHFFFAOYSA-N	422.469	5.761	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)Nc3nc(C(F)(F)F)ccc3C#N)s2)cc1	609670554	SHJYHSMMZNOPRQ-GFCCVEGCSA-N	402.445	5.886	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1	609713168	HZGHVONODIGZAG-LJAQVGFWSA-N	411.571	5.048	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)c1C	610053494	IGVAOJKJMXPMQD-BJKOFHAPSA-N	406.489	5.256	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccc(C#N)cc1	610089113	BRVJTQFMCMAUNG-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)Nc3cc(C)nn3CCC#N)c2)c1	610173759	SHWNZYPVDMNKPT-UHFFFAOYSA-N	404.539	5.267	30	20	HKED	
C[C@@H](N[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccc(C#N)c1	610343855	UUPIVFHZBQSFBR-ZHRRBRCNSA-N	423.438	5.608	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C#N)cc1F	610893008	HBULKELBYMFBME-UHFFFAOYSA-N	407.426	5.033	30	20	HKED	
C[C@H](C#N)CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C1CC1	611086397	KJCURWDWHRNKEB-OAHLLOKOSA-N	407.564	5.232	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	611557477	KPPYQVNUSCKWBD-UKRRQHHQSA-N	421.394	5.684	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(CN2CCCCC2)cc1	612211198	JOZQYLHIEJFIOP-UHFFFAOYSA-N	418.006	5.285	30	20	HKED	
CCOc1ccc2c(c1)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)CCO2	614169686	KQOVFGWZLKQSQO-QAPCUYQASA-N	411.527	5.125	30	20	HKED	
CC(F)(F)c1cccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	682055581	RWMZQURIRQIIAC-QWRGUYRKSA-N	418.328	5.829	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)c1	727284436	LHFAEEJKTPEBHA-UHFFFAOYSA-N	402.910	5.674	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(\C)c3ccccc3Cl)n2)cc1	727633127	VYROYEZJCVYOSR-BJRSVTDJSA-N	408.910	5.752	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C\c1cccc(OC2CCCC2)c1	727952641	NZJIZZJHFKPUKS-KCNXZKISSA-N	412.489	5.403	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccnc2)cc1	728692326	XGGUYXAPZRBOCA-UHFFFAOYSA-N	414.509	5.222	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1	728694629	DRDYBDVGTOWOHG-LBSLPOPVSA-N	410.498	6.011	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730686938	QHKHFFGAJDVSQS-OAGGEKHMSA-N	407.684	5.098	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	731198737	PEZMIIJODTYLOA-NRFANRHFSA-N	421.541	5.003	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1	731318078	BJKUJVISSKVXGG-CQSZACIVSA-N	422.044	5.813	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)Nc2ccc(NC(C)=O)c(C)c2)s1	733617970	OXIUBIUFIXDCEP-UHFFFAOYSA-N	403.552	5.352	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1	733793176	LNCNMOWOQBENMC-LBPRGKRZSA-N	413.783	5.560	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](CC)c2ccc(Cl)s2)ccc1OC	734068239	ASDFKUNDPWVZEE-LSDHHAIUSA-N	421.950	5.042	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2cccc(CSC3CCCCC3)c2)cc1	735173944	HGESJPGNHSKKPM-UHFFFAOYSA-N	409.555	5.477	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3C2)n(C2CCCCC2)c1C	740767216	OXRFPRISOXNSOZ-UHFFFAOYSA-N	406.555	5.440	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C\c1cnc(C(C)(C)C)s1	742536275	HUTNXKSLCVRUJU-NTMALXAHSA-N	418.522	5.460	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2cc(F)ccc12)c1nc(-c2ccc(Cl)cc2)cs1	749027100	WCWYROLERVSEEV-KRWDZBQOSA-N	410.857	5.768	30	20	HKED	
COc1cccc(/C(C)=C\C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	751831777	ZFUCKXMSCLIRCV-LJEUOOAZSA-N	416.424	5.603	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1SC(F)(F)F	752644152	ILCQQCFLYBQJNH-RDJZCZTQSA-N	405.445	5.602	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)c1	762027192	WACUPAPURRGHQX-OAHLLOKOSA-N	411.433	5.017	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(Cl)c(Cl)c2)ccc1OC	772978858	IAUQTDSAQDYYKN-VQIMIIECSA-N	407.341	5.924	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)c(F)c1	774020326	CCOBTBOWFXOHQN-REWPJTCUSA-N	421.447	5.129	30	20	HKED	
COc1cccc(CNc2ccc(OCc3cccc(C#N)c3)cc2)c1OC(F)F	779595392	YVXGKUKWSHRADB-UHFFFAOYSA-N	410.420	5.359	30	20	HKED	
COc1cccc(Oc2ccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)c1	780513068	BBAYQCOIVZBFTJ-INIZCTEOSA-N	403.438	5.422	30	20	HKED	
C=CCN(C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(C)C	783893263	HOGQWHPQBHEGSO-UHFFFAOYSA-N	415.559	5.118	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c2ccccc21	786354342	HHRPFEYGVJTTGL-YYWHXJBOSA-N	401.535	5.699	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1	787045337	IZEWRBQADIKPSW-FGZHOGPDSA-N	410.473	5.105	30	20	HKED	
N#Cc1c(NC(=O)c2cc(C(F)(F)F)cnc2Cl)sc2c1CCCCCC2	790856588	BVDMPCJZYNEKRY-UHFFFAOYSA-N	413.852	5.598	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(SCC(F)F)cc2)cn1	792883314	CPWQHMWOOPPWGC-IZZDOVSWSA-N	412.461	5.406	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2ccc(COc3ccccc3F)cc2)no1	794663980	REJKANMVRBVYMR-UHFFFAOYSA-N	401.397	5.024	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1ccc2ccccc2n1	796749468	NHOHTHZWLKMPFD-QGZVFWFLSA-N	409.258	5.044	30	20	HKED	
COc1cccc([C@@H](Nc2nc(Cl)c(C#N)s2)c2cc(F)ccc2OC)c1	804531817	UDVDJXGXKXOXFK-QGZVFWFLSA-N	403.866	5.026	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1NC(=O)OC(C)(C)C	804560448	BDVZIGWYXKTBAM-UHFFFAOYSA-N	412.534	5.030	30	20	HKED	
O=C(/C=C\c1ccc2ccc(Br)cc2n1)c1ccc(Br)nc1	811696120	JNYLJQYCZCRMAC-SREVYHEPSA-N	418.088	5.051	30	20	HKED	
CC(=NNc1cc(C)nc(C)n1)c1sc(-c2ccc(Br)cc2)nc1C	814807401	SVIHGIQLBHBWOT-UHFFFAOYSA-N	416.348	5.124	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	914513180	WKZSXZJAHOQBMV-UHFFFAOYSA-N	417.123	5.619	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1	915085811	ORCREOQEYRZBGE-JOCHJYFZSA-N	409.514	6.026	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)nn(CC(C)C)c3C)n2)cc1	915100628	XHLAIXJBMJUKIF-FQEVSTJZSA-N	406.555	5.007	30	20	HKED	
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1c[nH]c2ccccc12	915271481	XCELHPZHCZHGDX-OUKQBFOZSA-N	404.473	5.371	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1	915359368	QRUMIIPFDGXAFH-RPBOFIJWSA-N	410.521	5.886	30	20	HKED	
FC(F)(F)c1cccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c1	916260246	VCKSLYADAKSXGE-UHFFFAOYSA-N	407.399	5.399	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4cccc5ccccc45)cc3c2C1	916917551	HOCOQYIAWFYLBC-OPAMFIHVSA-N	421.500	5.407	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	916928753	SQGGZACTZVYMPG-MRXNPFEDSA-N	421.349	5.440	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1	916949930	QHCAXFOFTUOMEH-MRUHUIDDSA-N	410.539	5.037	30	20	HKED	
CCC[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	917042851	HZFAQZGRPIESHX-HOTGVXAUSA-N	402.441	6.075	30	20	HKED	
CC(C)(C)c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141572	KAYCZQDGAFXLRP-FQEVSTJZSA-N	415.518	5.235	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@@H](c2ccccc2)O1	920234897	MFMZMHKTRKLPET-NGXZDTIWSA-N	411.505	5.336	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)C)C4)ccc12	1523678974	LWUGPTLMMQRZBN-CQSZACIVSA-N	405.523	5.195	30	20	HKED	
Cc1cc(C)cc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)o2)c1	7142511	NBYSPBLFXUDJJJ-UHFFFAOYSA-N	416.506	5.197	30	20	HKED	
CC(=O)N[C@@H](CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1	11328864	QXOSLYOYUJAURP-QHCPKHFHSA-N	418.880	5.052	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](C)c1ccc(C#N)cc1	31433322	NXSZERXHPRQXAZ-GFCCVEGCSA-N	415.440	5.500	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccc(Cl)cc1	47974658	UUGCBHVUEZVTQK-UHFFFAOYSA-N	409.898	5.438	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	48853157	XFHZNJSAHBHXFD-IBGZPJMESA-N	413.502	5.622	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1ccc2ccccc2n1	48856120	NVSMJONQDIVUTI-SFHVURJKSA-N	401.516	5.474	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1	61068885	GOCZQYXTQPHPCM-SFHVURJKSA-N	420.925	5.301	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)[C@@H]1CCc2ccccc21	139243979	IDLBAMXGXORBBC-HSZRJFAPSA-N	419.525	5.090	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	195662413	RIWBSZUXDVGQDA-MRXNPFEDSA-N	420.494	5.266	30	20	HKED	
Cc1cccc2sc(N(Cc3ccccc3)C(=O)COc3ccc(C#N)cc3)nc12	196473993	QIVDWFKDCFKOGD-UHFFFAOYSA-N	413.502	5.089	30	20	HKED	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCCC#N	251632090	RHAPCQJGTYVZIL-XSLAGTTESA-N	414.550	5.389	30	20	HKED	
Cc1ccc(-c2noc([C@@H](C)N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2)cc1F	303689888	PFOJPUMPIBEDJU-SNVBAGLBSA-N	411.321	5.062	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1F	303714285	UXQKFMVJXVHHKF-LJQANCHMSA-N	401.416	5.317	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)sc2ccc(C#N)cc12	428145484	LOLYYOOQUFWKMS-UHFFFAOYSA-N	417.534	5.350	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	429372939	PCCXJZYJXLYFJB-FZMZJTMJSA-N	417.943	5.426	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1	430907351	DBMLGHFDPUQEPP-JOCHJYFZSA-N	421.953	5.602	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCCCc1cccc(C(F)(F)F)c1)c1ccccc1	431876789	XPFCERAIGGZDHF-HXUWFJFHSA-N	403.448	5.372	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCC(=O)Nc1ccccc1C#N	432574263	PIDOOUTYIRXBEQ-CQSZACIVSA-N	418.324	5.193	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1	433031953	KHFRFRLPOSYYTE-KRWDZBQOSA-N	420.738	5.066	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1	438186685	OIMYOJAQRHFAAG-UHFFFAOYSA-N	419.403	5.165	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3c3ccccc3C(F)(F)F)o2)c1	439801241	MHXOITDACKQYOO-LJQANCHMSA-N	412.415	5.354	30	20	HKED	
CN(Cc1ccc(Br)s1)C(=O)c1cn(CCCC#N)c2ccccc12	443885399	QGBFKRRSKMNRIN-UHFFFAOYSA-N	416.344	5.041	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2)cc1	464428751	NZYYQPTUPIVRMV-FQEVSTJZSA-N	421.378	5.041	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1cc(C(F)(F)F)ccn1	464479049	VVBNTSRHAIZKCJ-HNNXBMFYSA-N	417.774	5.431	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1	466060945	DRKHVHSDNJUXJX-GBXCKJPGSA-N	413.477	5.250	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ncccc1OCCCC#N	466594307	ZKOUVTPAFBFWSH-CQSZACIVSA-N	406.408	5.008	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C	467578226	NCOXACXCZYNZQY-ZIAGYGMSSA-N	401.482	5.368	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	470134863	TUJPEWOZYVGNIC-ZRZAMGCNSA-N	403.570	5.134	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2o1	470831552	MFPHZLPXPGRUGW-LJQANCHMSA-N	401.853	5.697	30	20	HKED	
CCC1(c2ccc(Cl)cc2)CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	470872251	QLRPJVMCCQNRQT-UHFFFAOYSA-N	406.917	5.205	30	20	HKED	
Cc1nc2cc(C(=O)N[C@H](CCC#N)c3ccccc3)ccc2n1Cc1ccsc1	472568910	WKHICEXVELZRQV-OAQYLSRUSA-N	414.534	5.229	30	20	HKED	
C=CCCCCNC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	473727813	YUWKKKXRKCUCJM-UHFFFAOYSA-N	405.498	5.183	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)c1ccccc1	474963098	VTAYTVOSDUCIKK-HXUWFJFHSA-N	415.468	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	475572049	XFKPKUMSUBLNPE-IBGZPJMESA-N	406.574	5.281	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1	476122323	QPDVSXQNRGIGMF-UHFFFAOYSA-N	413.517	6.030	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C3)cs1	476604681	MUUSPWLBVBFZGE-UHFFFAOYSA-N	407.564	5.180	30	20	HKED	
Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	477097977	LGUVVNUMMJWXTG-UHFFFAOYSA-N	412.415	5.159	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c2ccccc21	478268884	ZWSZRDOCPFUVDC-UHFFFAOYSA-N	405.929	5.618	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1)c1ccccc1	481903918	IXGVRGABINYJNY-KRWDZBQOSA-N	400.413	5.303	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCCCCOCc3ccccc3)c2)cc1	483498302	XIANHJAGUMJBMS-UHFFFAOYSA-N	400.478	5.077	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCC(F)(F)F)Cc1ccccc1	484160044	LJSIOCDIYAYHOS-INIZCTEOSA-N	421.488	5.925	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1	487518361	WUJFLDTWRYLJFT-DEOSSOPVSA-N	424.504	5.078	30	20	HKED	
CSc1ccc(C)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	490630846	XESYZTXQEGGVRO-UHFFFAOYSA-N	402.519	5.614	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1	492194158	DKLZQVGXXSKKOU-SFHLNBCPSA-N	422.598	5.113	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	499383038	VAEUBVXPPFBZNF-OFNKIYASSA-N	412.574	5.084	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccccc1OC(F)F	500430598	WGEGPBNMBFVWBM-GFCCVEGCSA-N	400.878	5.462	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)cc1	501134413	LLMDCBDRERDIQT-UHFFFAOYSA-N	416.525	5.011	30	20	HKED	
N#C[C@H](C(=O)c1coc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	503520516	GNWZOYBXCZCUGP-CQSZACIVSA-N	413.285	6.353	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)Nc3nc(C)c(SCC#N)s3)c2)c1	504685591	YGQMHEUBKNICIL-UHFFFAOYSA-N	409.536	5.207	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1	505809231	NEKDNANLBIROIA-KRWDZBQOSA-N	421.522	5.194	30	20	HKED	
Cc1sc(NC(=O)c2cc(C#N)ccc2Cl)nc1-c1c(F)cc(F)cc1F	511172886	QDTPWQKNYRGAJN-UHFFFAOYSA-N	407.804	5.313	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21	511894658	HXCFKXQPYQHDJT-ZVXPMLRVSA-N	419.594	5.145	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1	513159739	JJKWPQHDYIFBNN-HXUWFJFHSA-N	422.406	5.438	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21	513655214	OZCZDTJMPZTZMA-HXUWFJFHSA-N	422.513	5.227	30	20	HKED	
Cc1sc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-]	514575058	ABOMZLWISUIYGK-MRXNPFEDSA-N	411.870	5.526	30	20	HKED	
C=CCN(C(=O)C[C@H](C)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	515327636	FFMRJIATQYSVFR-INIZCTEOSA-N	407.495	5.431	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Sc1ccccc1Cl	515650704	LDYDFJWYCYFPFN-HNNXBMFYSA-N	423.925	5.827	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F	515912815	DARUPEPETXJTQG-LJQANCHMSA-N	403.295	5.061	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOc1cccc(C(F)(F)F)c1	517529672	IXHPSCZFDXJEJV-AWEZNQCLSA-N	423.460	5.300	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)s2)cc1	518533632	JEBDWKTZXZFYTO-GOSISDBHSA-N	411.914	5.165	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1cccc2cccnc12	521141197	QECBYXDYNSFXPE-UHFFFAOYSA-N	409.464	5.330	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1	522305635	ZSBTWBZKUVVSLU-UHFFFAOYSA-N	409.489	5.060	30	20	HKED	
C=CCN(C(=O)c1cc(O)nc2cc(F)ccc12)c1nc(-c2ccccc2)cs1	523510841	DMFOFAKLJCJSKB-UHFFFAOYSA-N	405.454	5.036	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	524112326	UXLNDOCXRKKVLL-HUUCEWRRSA-N	406.473	5.774	30	20	HKED	
CO[C@@H](C)CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(C)C	524895721	OKQCYRCDYXFSHV-INIZCTEOSA-N	415.921	5.068	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc12	525796478	HHPCQIBZZWYBTP-UHFFFAOYSA-N	407.524	5.006	30	20	HKED	
Cc1nc(O)c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1-c1ccccc1	531170754	YPGIJKZXEUIRAK-LJQANCHMSA-N	412.276	5.064	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCc2ccccc21	533256617	YXUNGFUQCZAYKV-PGRDOPGGSA-N	407.583	5.276	30	20	HKED	
CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534914592	VIJGUIHGRLFXIX-UHFFFAOYSA-N	416.868	5.152	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1)c1ccccc1	536192869	RCEXOGFRPNUBJJ-RBBKRZOGSA-N	401.554	5.683	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1OC(F)F)c1cccc(NC(=O)c2ccccc2)c1	538128400	NYBHRYWRYHYTRG-INIZCTEOSA-N	421.447	5.263	30	20	HKED	
C=C(C)COc1cccc(NCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1	539922526	WKSBYQRFQMLFHD-UHFFFAOYSA-N	407.539	5.703	30	20	HKED	
CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	540640920	RFAISPWNZKWSKS-VQTJNVASSA-N	401.432	5.571	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3ccccc3Oc3ccccc3C#N)c2)n1	540875249	ONKGYWGAJSNGOV-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	541085258	BEJVPPAVXFLJSY-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	541158584	HVMRNMMYWNGBPQ-NTKDMRAZSA-N	405.542	5.277	30	20	HKED	
C[C@H](N[C@H](C)c1ncc(Br)s1)c1ccc(-c2cccc(C#N)c2)cc1	541175757	CKLCFVGYGMSULV-UONOGXRCSA-N	412.356	5.856	30	20	HKED	
C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2ccc(Cl)cc2)s1	541701667	VPIFSUQRHSZBMW-AWEZNQCLSA-N	420.925	5.841	30	20	HKED	
C[C@@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541998516	SSJLVOMERRJQCC-VFNWGFHPSA-N	403.507	5.024	30	20	HKED	
Cc1nc2ccc(-c3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)cc2s1	545009096	YQRMGINROVTZRQ-UHFFFAOYSA-N	411.446	5.381	30	20	HKED	
N#Cc1cccc(/C=C\c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)c1	546276423	RADCBKSVQBDKQC-QXMHVHEDSA-N	410.408	5.170	30	20	HKED	
Cc1nnc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	546837917	NPVZTTYHFOPGSQ-NSHDSACASA-N	413.890	5.047	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(OCC(F)(F)F)c1	554390847	QZUZVCWKCMLOQO-UHFFFAOYSA-N	410.440	5.015	30	20	HKED	
N#Cc1ccc(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1	558573202	SATPRWWVBDJOOV-QGZVFWFLSA-N	403.231	5.097	30	20	HKED	
Cc1csc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1C#N	561836627	KTSKMUBCYSYFOS-UHFFFAOYSA-N	406.294	5.461	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCC(C)(C)CCC#N	564435853	NYAHEFCGDFUVGV-CYBMUJFWSA-N	406.393	5.862	30	20	HKED	
N#CC1(c2ccccn2)CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1	565256981	KEQUTGBDUHOSQX-VWLOTQADSA-N	420.516	5.044	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2Cl)c1	568687794	OZDTZUSKDFAQIY-UHFFFAOYSA-N	420.774	5.655	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)c1	576334620	UDLLWCZOLRPFPL-UHFFFAOYSA-N	419.584	5.125	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3nnc(-c4ccc(Cl)cc4)o3)cc2)ccn1	589568024	SKEPFDVBWMHRBC-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c1	589739596	XGKCOUAHSCGHIO-UHFFFAOYSA-N	407.445	5.290	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	604536330	MIHRQEVHXFIXJH-CQSZACIVSA-N	402.325	5.277	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)[nH]c12	605363122	JXHFCIDNLWHUMF-OAHLLOKOSA-N	423.444	5.691	30	20	HKED	
N#Cc1ccc(CS(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	608784440	KGVOSKBGUBUHQY-UHFFFAOYSA-N	416.329	5.569	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(OCC(F)(F)F)c2C)c1C#N	609026129	LTGXABHWEDYQSO-UHFFFAOYSA-N	421.444	5.054	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1Cc2ccccc2-c2ccccc21	609385294	OWJNQIFFDCLQQB-SFHVURJKSA-N	413.546	5.707	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(F)cc1F	610015275	BXCXPPBKGJDJLZ-HXUWFJFHSA-N	408.408	5.297	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610094082	GUAUZCMNDNTOMX-OAQYLSRUSA-N	401.470	5.146	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	610117284	KUYGTXJNJONCPN-UHFFFAOYSA-N	410.364	5.545	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl	610142736	MCPUIKGDFTXQPC-XNJGSVPQSA-N	403.910	5.551	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2Cl)s1	610598347	QUFRIWNXINMDGJ-IEBWSBKVSA-N	407.926	5.375	30	20	HKED	
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2ccc(F)cc2)s1	610809684	OJGKRLOLJURUAP-INIZCTEOSA-N	406.530	5.140	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC	616126332	RKNZNINBCYEOCE-QFIPXVFZSA-N	408.542	5.601	30	20	HKED	
C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618449221	DKZLAZOOQVVVGW-GMTAPVOTSA-N	415.328	5.555	30	20	HKED	
CCOc1cccc2cc([C@H](C)N[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)oc12	619647225	AHIHMYFXQSDVLP-UONOGXRCSA-N	411.889	5.034	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)CCCC2)c1nc(-c2c(F)cccc2F)cs1	620304243	LTQSNLSTAADLSV-LBPRGKRZSA-N	400.475	5.519	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4onc(C(C)C)c4c3)n2)cc1	642281254	SRZDOGMKXHYLIA-KRWDZBQOSA-N	402.479	5.268	30	20	HKED	
CO[C@@H](C)c1cccc(N=Cc2cc(Br)cc(Br)c2O)c1	726891716	QGFMEIXSFURXAH-JTQLQIEISA-N	413.109	5.375	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1cnc(-c2ccccc2)s1)C(=O)c1ccccc1	727263571	DJXZHUREZROGEF-KGENOOAVSA-N	411.486	5.110	30	20	HKED	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	729828717	TVBMICILNGYHEE-GZKZCVOOSA-N	416.443	5.340	30	20	HKED	
C[C@@H](C#N)CNC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	732112171	RPKHYKZKXDSWCH-GFHXCNCHSA-N	402.519	5.144	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1	733793359	XJWPNSXWQACQKS-FQEVSTJZSA-N	415.449	5.119	30	20	HKED	
O=C(/C=C\c1nccn1Cc1ccccc1)c1cc2cc(Br)ccc2o1	734095347	NRMNJPVNLWDLOP-CLFYSBASSA-N	407.267	5.336	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C)c1ccncc1	734669630	SAABWECGGRHQQG-YLJYHZDGSA-N	406.555	5.500	30	20	HKED	
CC(C)(Cc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	735592706	CWLRLWOFXOZDPN-HNNXBMFYSA-N	402.441	5.760	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nc(C(F)(F)F)cs3)cc2Cl)c1	751562352	RLFPGQIENIDLII-UHFFFAOYSA-N	423.847	5.878	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C/c3c(OC(F)F)ccc4ccccc34)ccc21	754689699	LXAWMKIFECJVKF-PKNBQFBNSA-N	407.416	5.246	30	20	HKED	
C[C@@H](N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc(OCC#N)cc1	768267424	VZGXXVVIMWULMT-QRWLVFNGSA-N	407.514	5.580	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cn(C)c2ccccc12	774008515	WOGXZROAHVNKPN-DNVCBOLYSA-N	410.502	5.153	30	20	HKED	
CCN(C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(C#N)c(Cl)c1	774149062	RPRQDHJODAWLNJ-RCRDTURJSA-N	421.766	5.298	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ccc(Br)cn3)cc2F)c1	779595841	OVRRTVXRQQTKCL-UHFFFAOYSA-N	412.262	5.046	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC1(C#N)CCCC1	780531242	YIXZAZGLWILZCS-CQSZACIVSA-N	404.919	5.244	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	780675201	AJXJGECWJKLCQI-CQSZACIVSA-N	424.888	5.184	30	20	HKED	
N#Cc1cccc(COc2ccc(NC3CCN(CCC(F)(F)F)CC3)cc2F)c1	781530813	XXAHDEJMGUCFSZ-UHFFFAOYSA-N	421.438	5.105	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c[nH]c2ccccc12	786378346	WSXACYXNRWNUKX-DZGCQCFKSA-N	421.472	5.940	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12	790667948	HINYHNBRBQWSOA-QGZVFWFLSA-N	424.529	5.943	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nccc2ccccc12	792094762	QPWXIABOUASJHZ-BJKOFHAPSA-N	418.452	5.179	30	20	HKED	
O=C1COc2ccc(/C=C3/CCc4nc(-c5ccc(Cl)cc5)sc4C3=O)cc2N1	794935449	RKJKZIZLJPBZTE-ZROIWOOFSA-N	422.893	5.007	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	795987402	VBOQEFQUTWLRQF-WMZHIEFXSA-N	412.489	5.631	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1C	796806166	UHZWPLBDZYZIKQ-GOEBONIOSA-N	415.415	5.284	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	799206442	IAQVHJIIGGJEGE-DNRDUGLCSA-N	417.553	5.135	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1	810327781	XPLWIBAMWCQIOK-UHFFFAOYSA-N	408.889	5.016	30	20	HKED	
C[C@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(C(F)(F)F)nc1Cl	817867055	RGCIHTXFQNIEBD-ZETCQYMHSA-N	414.708	5.001	30	20	HKED	
N#CC(CCOC(=O)Cc1coc2cc(O)ccc12)(c1ccccc1)c1ccccc1	914884918	LRNWQFKRNBVVEQ-UHFFFAOYSA-N	411.457	5.124	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Br)s1)c1nc2ccccc2s1	915099358	RVLVAGJQTBCTFX-LBPRGKRZSA-N	405.342	5.319	30	20	HKED	
C[C@@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104864	ODWSLMGVQDIXEP-PWSUYJOCSA-N	408.376	5.098	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCCC3)cc2)cc1	915351839	HBLJQPJNKYBOAJ-SANMLTNESA-N	424.548	5.260	30	20	HKED	
N#CCOc1cccc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)c1	916411509	ZOKRIZWUDRLGEG-UHFFFAOYSA-N	414.358	5.666	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1	916708203	NLOMRLKWVYSIFA-UPVQGACJSA-N	415.924	6.364	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCCC1)c1nc2ccccc2n1C(F)F	917042856	IBLOGSVYCDPCCC-INIZCTEOSA-N	413.855	5.773	30	20	HKED	
COc1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2-c2ccccc2)cc1OC	920065011	DKOLFJMGPGVFHE-KTKRTIGZSA-N	403.265	5.092	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc4ccccc4s3)c2c1C	920106628	VAYZDJSNISPSCM-CYBMUJFWSA-N	424.576	5.277	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1	920143401	WEOGIDQBBIRYGZ-QGZVFWFLSA-N	411.408	5.120	30	20	HKED	
CCCc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(O)n1	1290885536	SKUUVFGGUQOIHD-FQEVSTJZSA-N	405.885	5.301	30	20	HKED	
C[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cc2)CCC1	1789193440	ZBQOLOULPFOBFA-IDPBPBMLSA-N	414.615	5.045	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)C[C@@H]4C)CCC3)cc2)c1	1792125378	XRQMOIDUMCKWHL-FUMQJTLXSA-N	415.537	5.107	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816691115	YPCOXAVGCLSYKT-NRFANRHFSA-N	412.578	5.141	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc(CC)cc2)cc1	10173627	LLJJAIQKSUVERC-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
CSc1ccccc1NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	10399119	CVNSEFNGTSRICK-NSHDSACASA-N	411.474	5.122	30	20	HKED	
C=CCNc1nnc(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)s1	11295753	JXTFKKMZVSBXCN-SECBINFHSA-N	413.450	5.058	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1	11300156	KUXJWLKAIQHHIF-UHFFFAOYSA-N	404.278	5.251	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN2CCCSc3ccccc32)n(C2CCCC2)c1C	21299717	DWWWZHZUKGQMRB-UHFFFAOYSA-N	408.571	5.033	30	20	HKED	
N#CCSc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl	21375776	JUCRJQYRRIOQPV-UHFFFAOYSA-N	408.910	5.640	30	20	HKED	
C[C@@H](OC(=O)c1sccc1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2	21923180	KCVUYVJLYLWLPL-CYBMUJFWSA-N	422.531	5.021	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cc(C)ccc1C	22729580	WSJCOJKCLDFDHX-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1cc(Cl)sc1Cl	26204365	OFJNBXVRXNUZFM-UHFFFAOYSA-N	402.324	5.129	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(F)c(Br)c2)cc1	58762206	IGCWYYPPUDBGSG-ONNFQVAWSA-N	405.267	5.014	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1csc(-c2cccc(OC)c2OC)n1	61001726	XHCMLSRQZHZKNV-UHFFFAOYSA-N	407.539	5.111	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1	65630122	VRUANSZHLSYCQO-VWLOTQADSA-N	412.489	5.123	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	108417523	SDMUREAYUWKIKJ-LJQANCHMSA-N	413.521	5.700	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1F	215716518	FYSDKIINLBSMND-OAHLLOKOSA-N	421.501	5.482	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3ccsc3)n2)nnn1-c1cccc(Cl)c1	303010201	MNXGPHZSMYCVRE-AATRIKPKSA-N	412.927	5.310	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2F)n1	303504430	ZFUMJOPQZCZRKD-AWEZNQCLSA-N	408.502	5.132	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	303570497	MSTJIGSJZQVLMB-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1	410103240	ZMQNWXLCQZAQQD-UHFFFAOYSA-N	422.447	5.157	30	20	HKED	
Cc1cccc2c1CN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2	429470643	PRFIIBKKMPWJSX-UHFFFAOYSA-N	411.505	5.230	30	20	HKED	
C[C@H](NCc1c(F)cc(F)c(F)c1F)c1ccc(OC(F)F)cc1OC(F)F	430739899	IUEMJJFMCIAQLQ-ZETCQYMHSA-N	415.280	5.297	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	432958447	GZPXHDPSBJEDPP-UHFFFAOYSA-N	419.504	5.665	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1cccnc1)C(C)C	435129803	NXUMASHFYSXLQE-QHCPKHFHSA-N	414.509	5.615	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(F)cc3C#N)s2)cc1	435163956	BJVKVABLSIVLLX-CYBMUJFWSA-N	410.474	5.021	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1F	437484073	NRUVNVIJIFFRQG-UHFFFAOYSA-N	416.456	5.127	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1C(F)(F)F	438634504	QSQALSPYKOXYLL-HXUWFJFHSA-N	412.415	5.817	30	20	HKED	
N#Cc1ccc(CSc2n[nH]c(-c3ccccc3Br)n2)c(Cl)c1	438896862	STGREPZHCDUDMT-UHFFFAOYSA-N	405.708	5.052	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2c2ccsc2)cnn1-c1cccc(C#N)c1	439700080	FTSBCCNBKKOHCX-HXUWFJFHSA-N	405.527	5.127	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(C(F)(F)F)cc1	442271955	JJGMHTDDGJCJNB-AEFFLSMTSA-N	406.452	5.025	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	443891572	ISDRCMUYGVXACL-UHFFFAOYSA-N	417.431	5.133	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	446707233	QGDBHXPMMUFTBY-HXUWFJFHSA-N	421.438	5.386	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1ccc(F)c(F)c1	460888083	VWYFICVARACFLX-RTBURBONSA-N	416.472	5.169	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	461026239	JDGCDRQNVKSJEM-UHFFFAOYSA-N	400.931	5.007	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1	466348397	VTHXFVWHNVMVQO-OAHLLOKOSA-N	407.926	6.049	30	20	HKED	
CC#CCCCC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	466442286	VGPZXHUEKIRPFA-UHFFFAOYSA-N	402.416	5.398	30	20	HKED	
C[C@H](CC(F)(F)F)NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1	467387229	FYPGGUZLVGFRHE-SSDOTTSWSA-N	412.252	5.109	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccccc2SC[C@@H](C)C#N)c1	467760922	WTXPTAICFFBFTC-PMACEKPBSA-N	420.582	5.303	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)c3cn(CCCC#N)c4ccccc34)c2)n1	469041141	SYBDSOCPEVLVRP-UHFFFAOYSA-N	400.507	5.629	30	20	HKED	
COCCN(C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)c1ccc(C#N)cc1	470912926	KIYJOVKVBKWGJP-UHFFFAOYSA-N	424.859	5.436	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)cc1	471940777	JSGIZVWHTIDSLM-FGZHOGPDSA-N	402.494	5.023	30	20	HKED	
CSCc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1F	473927492	JHLSMSCOJWCJKP-CYBMUJFWSA-N	418.465	5.580	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3c3nc4ccccc4o3)cc2)nc1	475169294	CYBFLLNVDYHVLD-NRFANRHFSA-N	424.460	5.254	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	475556123	OGCNSCSGSZIZEZ-CVDCTZTESA-N	411.615	5.805	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1	476135292	GDEXKYZHAPCCRI-UHFFFAOYSA-N	410.517	6.241	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1	476666798	WHFBKXJUILSHAE-IBGZPJMESA-N	415.562	5.147	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCc1ccc(Cl)cc1C#N)C(F)(F)F	480870083	QGYOAGMRUDVHRQ-HXUWFJFHSA-N	418.850	5.407	30	20	HKED	
C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(NC(=O)c2ccncc2)cc1	481661216	RZBMJWXMGCLYOK-CJAUYULYSA-N	410.521	5.324	30	20	HKED	
CCc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cnn1C(CC)CC	482684216	RFRXIFDLDDNRCF-UHFFFAOYSA-N	406.486	5.103	30	20	HKED	
C=CCN(C(=O)CC(C)(C)C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	483085048	FHOFLVKMGYELTG-UHFFFAOYSA-N	413.421	5.216	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)sc21	483493561	RTMIXNMZONDTEX-SECBINFHSA-N	422.869	5.326	30	20	HKED	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1cccc(C#N)c1C	483858632	DYCCMZSTWMTOSN-UHFFFAOYSA-N	410.271	5.099	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Nc3nc(C)cs3)cc2)cc1	486190537	OFAJSJGOYFJOAM-UHFFFAOYSA-N	406.511	5.154	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c1	488484413	TZTUDWCOVPWIIJ-UHFFFAOYSA-N	412.489	5.638	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)[S@](=O)Cc1cc(C#N)ccc1Br	491720170	MDVYFSACSOWCEY-MLMJSJRWSA-N	417.155	5.637	30	20	HKED	
N#Cc1cccnc1OC1CCC(NC(=O)Nc2cc(C(F)F)ccc2Cl)CC1	497216857	YTBUUJNZKFYVBO-UHFFFAOYSA-N	420.847	5.056	30	20	HKED	
COc1cccc(C[C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	497776101	JWYXCBVGQZZZHS-KRWDZBQOSA-N	401.466	5.112	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	499691176	DILRWSVDHXAOHL-IAGOWNOFSA-N	404.297	5.043	30	20	HKED	
C=CCOc1ccc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1OC	501007023	WYVUWQIXECHQDB-UHFFFAOYSA-N	420.484	5.192	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21	502815190	BCZAMFDZWLCBMI-UHFFFAOYSA-N	421.928	5.412	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCc4cccc(F)c4C3)cc2F)c1	503475055	ZCSJFDWZVPISAN-UHFFFAOYSA-N	419.431	5.006	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)NC3CCCC3)n2)o1	504493147	OOBWQGLOLBWIRU-LBPRGKRZSA-N	423.460	5.080	30	20	HKED	
COc1cc(C)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	504939910	VVRHPURQBJQOGA-UHFFFAOYSA-N	412.898	5.422	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	505433330	OWKRWXBNCAQJJM-ZDUSSCGKSA-N	422.724	6.016	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	509844492	NUWJYGZCHFVTEE-AZUAARDMSA-N	401.432	5.055	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(C2CCCCC2)c1C	510333143	NBWWMUBRDZDHDO-UHFFFAOYSA-N	415.497	5.316	30	20	HKED	
CCN(C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)c1ccc(C#N)cc1	510359253	AXJRHJXALJGXPY-UHFFFAOYSA-N	402.498	5.227	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CSc2nnc(C)c(C)c2C#N)on1	511846643	FBHBDKUWOWBGIR-UHFFFAOYSA-N	402.479	5.074	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21	511874907	GGZSVVNIMMZCOM-ZVXPMLRVSA-N	419.594	5.287	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	512745368	YAZAUPMQFGWFQE-UHFFFAOYSA-N	400.453	5.255	30	20	HKED	
Cc1cc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1	513956515	DDYINPBNCCXNTI-UHFFFAOYSA-N	401.485	5.857	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3cc4sc5ccccc5c4s3)CC2)c1	517081797	UFDXAAAMYRZFKO-UHFFFAOYSA-N	418.543	5.671	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(F)ccc4s3)n2)cc1	518516521	IQTQGFHUYKCUFH-MRXNPFEDSA-N	408.479	5.663	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(Sc2ccccc2)CC1	520981492	KIKIRMNZNUUMGL-UHFFFAOYSA-N	416.571	5.764	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCCC[C@@H]3c3ccncc3)cc2)cc1	521107857	JDFARZCJIJPJGP-RUZDIDTESA-N	411.505	5.697	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C(F)F)[nH]c4c3)n2)cc1	522103180	HRMNTTOKVSNMFV-CQSZACIVSA-N	408.433	5.423	30	20	HKED	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N	522596970	PGBDBUHVSGOLME-YJBOKZPZSA-N	401.963	5.735	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1	523011044	AWXOLIIJIQGHDN-HOTGVXAUSA-N	401.963	5.829	30	20	HKED	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1occc1COc1cccc(C#N)c1	523847335	VMXHNYOSUHYLGK-HXUWFJFHSA-N	408.885	5.135	30	20	HKED	
CC(C)c1ccc(OC2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cc1	533486350	JMWLAULZTPDRRV-DEOSSOPVSA-N	405.542	5.408	30	20	HKED	
N#CC1(CCCN[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CCOCC1	537507786	QJRLRTRLMOUCAD-NRFANRHFSA-N	403.353	5.773	30	20	HKED	
CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	537512068	LTMJPWXZLHUEIP-LADGPHEKSA-N	421.541	5.047	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)nn1CCC#N	538616776	XQKCLRAMVXXQNJ-DEOSSOPVSA-N	409.493	5.170	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1ccc(C(F)(F)F)cc1	539316009	BGBOSGMTCSOTFI-RBUKOAKNSA-N	420.479	5.599	30	20	HKED	
CCn1c(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2c(F)cccc21	539425822	WOIMSANPSYAWNI-KRWDZBQOSA-N	419.344	5.607	30	20	HKED	
C=CC[C@H](CO)CNC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	540355875	AETVVPOAGBFUCX-KRWDZBQOSA-N	424.520	5.038	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1F	541102570	BYMCCXVZPBXCSF-UHFFFAOYSA-N	411.452	5.335	30	20	HKED	
CCc1nc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	543016631	GMVVBXPBALDISE-INIZCTEOSA-N	404.539	5.147	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N	544416053	UTECFMRRXISCRW-OXQOHEQNSA-N	407.539	5.039	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)c1ccncn1	546859268	AXRMGJHUOBIRJU-MRXNPFEDSA-N	414.317	5.566	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4cccc5cccnc45)cc3)CC2)cc1	552386543	UVBUGBRCZQAQMQ-UHFFFAOYSA-N	415.496	5.703	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH]c4cccc(Cl)c34)cc2)ccn1	552427132	OCYSLRJEWKXSAW-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
Cc1ccc(-c2cc(-c3nnc(N4CCC(CC#N)CC4)n3C)c3ccccc3n2)cc1	554610900	HCXYHKKQORETSK-UHFFFAOYSA-N	422.536	5.136	30	20	HKED	
C[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	555376222	BPNVOGXERZFGEB-CQSZACIVSA-N	421.488	5.830	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCC(=O)c4ccccc43)cc2Cl)cc1	555787294	PQEGSGBRBYGMOJ-HXUWFJFHSA-N	416.864	5.703	30	20	HKED	
Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	561492720	NRRCQROOOBVADC-TZIWHRDSSA-N	407.583	5.876	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)ccn1	563920373	IUPZIRRZLMEBQT-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
N#Cc1cccnc1OC1CCC(NC(=O)C2(Cc3cccs3)CCCCC2)CC1	564526262	XKKLUOJUHPEBAK-UHFFFAOYSA-N	423.582	5.014	30	20	HKED	
C[C@H](c1ccc(F)cc1)N1CC[C@@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C1=O	584160395	IKQLWXYJTNUCNY-KZULUSFZSA-N	408.420	5.170	30	20	HKED	
C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	588780581	FRTSHRCURXFJBD-IQMFZBJNSA-N	418.493	5.242	30	20	HKED	
C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](OC1CCOCC1)c1ccccc1	589586026	ZMZLRYJQGFIHSC-QVKFZJNVSA-N	404.432	5.314	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	589752624	XERJXSZPKZLLOL-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1c(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)sc2ccc(C#N)cc12	589984501	SSGSMIAXLAOGOK-NDEPHWFRSA-N	410.564	5.381	30	20	HKED	
Cc1ccc2nc(COc3cccc(C(=O)Nc4sc(C)c(C)c4C#N)c3)cn2c1	591589311	KPXDPATXAGWDKJ-UHFFFAOYSA-N	416.506	5.024	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)o1	603533029	MQJPYOWLDUALNU-UHFFFAOYSA-N	413.246	5.208	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1	603652959	QLQBTCQTSZYMIB-UHFFFAOYSA-N	421.447	5.414	30	20	HKED	
CC(C)Sc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	603995882	RGSUTWYVVNMEAG-UHFFFAOYSA-N	415.518	5.563	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1Cl	608993236	XBTWDAILQDJTTD-QGZVFWFLSA-N	410.688	5.124	30	20	HKED	
CCc1ccc([C@@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	609018994	VAEPQUWVMPNXEN-CQSZACIVSA-N	408.552	5.007	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C#N)c3)c3cnn(C(C)C)c3n2)s1	609102387	NSGFCQAGCDYTPD-UHFFFAOYSA-N	419.485	5.312	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	609173058	KLVUCEIDFZVXCL-HSZRJFAPSA-N	423.472	5.224	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc2ccccc12)c1ccc(OCc2ccccc2)cc1	609173569	UBUKPWUODJPVKE-HSZRJFAPSA-N	412.514	5.404	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](CC)c1ccccc1	609403907	JUJDHYXPGGAEQF-RXVVDRJESA-N	423.582	5.267	30	20	HKED	
CSCc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)oc2ccccc12	609460627	ZVXMHWMRNTTXCE-INIZCTEOSA-N	405.306	5.597	30	20	HKED	
C[C@H](NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(C#N)c1	610357052	FXGXLXQJUPAMFY-MBSDFSHPSA-N	408.505	5.232	30	20	HKED	
CSc1nccn1-c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	613407232	MRIHQMSKRFZZLK-HNNXBMFYSA-N	424.938	5.347	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N1CC[C@@](F)(C#N)C1	615537366	VGEVMAWIFOHZTN-HSZRJFAPSA-N	423.467	5.201	30	20	HKED	
C=CC1CCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)CC1	680522692	AIIDIQVVIOVUQV-OAHLLOKOSA-N	405.258	5.050	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(F)c(F)c1	681328328	HYFHVBNLRYBATM-IIBYNOLFSA-N	411.452	5.312	30	20	HKED	
Cc1ccc(Cl)c(NC(=S)N(CCC#N)c2ccc3c(c2)OCCO3)c1Cl	728442549	BAXCLVMXUHZNHD-UHFFFAOYSA-N	422.337	5.190	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CCc2ccccc2)CC1	731031632	XSARSEHYRPBGIU-HXUWFJFHSA-N	421.610	5.364	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCc2ccccc2C1)C(=O)Nc1ccccc1Oc1ccccc1	732596319	PSSKLJBTKFHGSW-AUSIDOKSSA-N	424.500	5.321	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCc2ccccc2C1)c1nc(-c2c(F)cccc2F)cs1	732598262	LKDXXHIAJMVMNG-RHSMWYFYSA-N	408.473	5.460	30	20	HKED	
C#Cc1cccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1	733619430	RHSIZHZUSLGONO-UHFFFAOYSA-N	410.304	5.604	30	20	HKED	
O=C1/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOc2ccc(Cl)cc21	733749401	VVFLAFKUWWNGDD-XYOKQWHBSA-N	412.854	5.421	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)c1	740917377	OIDDVQWFKLYSHS-AUSIDOKSSA-N	405.542	5.440	30	20	HKED	
O=C(/C=C\c1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741845256	YVDGHWYOXFFRRU-BHQIHCQQSA-N	423.239	5.226	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1	750677799	ISYJHOAFNQNPQM-DOMZBBRYSA-N	406.898	5.122	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nc2ccccc2s1	751826894	YCYMEAQNHPZXGL-HNNXBMFYSA-N	423.950	5.857	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2cccs2)cc1C#N	752204988	XJLYTSIPVHUULY-UHFFFAOYSA-N	421.478	5.019	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccccc2F)cs1	757464975	IWHYEUFSTRCEGR-DHZHZOJOSA-N	400.862	5.516	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1C	759775923	HSGNTGLSHSWPPV-IBGZPJMESA-N	406.555	5.057	30	20	HKED	
Cc1nc(Cl)ccc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	760197016	KTLNPSABQMXWCJ-LJQANCHMSA-N	410.304	5.534	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(C)C	761812167	IWNKOSYCXLJTCN-OAQYLSRUSA-N	421.463	5.306	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1c(F)cccc1F	764567683	VIVRKYMNONLLTK-NVXWUHKLSA-N	420.415	5.208	30	20	HKED	
C[C@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl	765138758	OEJGJFZKFQJPGD-RDPSFJRHSA-N	419.912	5.025	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1	768971405	VHZQEDTYYCLHAV-DHIUTWEWSA-N	403.526	5.345	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](CC)c2cc(Br)ccc2O)c1	775523434	KSGUXZPXPTWLKU-LPHOPBHVSA-N	403.320	5.077	30	20	HKED	
C=CC[C@@H](C(=O)OCc1csc(-c2ccc(OC)cc2OC)n1)c1ccccc1	778417266	GLJAWOAKAHHLRB-LJQANCHMSA-N	409.507	5.230	30	20	HKED	
COc1ccc(NN=Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Cl	782230420	NJGOUEQUZACLQA-UHFFFAOYSA-N	414.918	5.244	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	787398708	BCZWMHSNRLVYHU-RTBURBONSA-N	401.432	5.537	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCCCC2=O)cc1	789458188	ZKVAZXMIQWCPRU-UHFFFAOYSA-N	405.542	5.377	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1	792546908	FQACXVBQYMIFJC-CYBMUJFWSA-N	407.297	5.328	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	792925431	RPMJRUPXONLVFR-FRKPEAEDSA-N	403.453	5.003	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C2CC2)cnc1Cl	793187611	VZNCPHJLAQYZQO-UHFFFAOYSA-N	403.869	5.837	30	20	HKED	
C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(OCC#N)cc1	793563970	APMDQTWYKWMBKX-OPAMFIHVSA-N	418.459	5.426	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2-c2csc(C)n2)cc1OC	794129441	MFNILGPCCCAXJS-ZRDIBKRKSA-N	406.507	5.344	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Cn3ccc4ccccc43)n2)cc1	796887368	HWYHJSRGXFHVQT-JXFKEZNVSA-N	415.518	5.286	30	20	HKED	
C[C@@H](c1ccccn1)N(C(=O)C[C@H](CC#N)c1ccccc1)c1ccc(N(C)C)cc1	796907145	SOICDNBRNSQPPI-UNMCSNQZSA-N	412.537	5.329	30	20	HKED	
COc1ccc(-c2nc(/C=C\C(=O)c3ccc(OC(F)F)c(OC)c3)cs2)cc1	797122418	OFGGQLVHNUMYEO-TWGQIWQCSA-N	417.433	5.325	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c2ncccc12	802040622	IGRMILXQRUCZCT-CYBMUJFWSA-N	418.667	5.156	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccn3)c2C)cc1	802705192	CLYGVZUKYQFBHO-FOCLMDBBSA-N	409.489	5.456	30	20	HKED	
N#Cc1cc(C(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)cnc1C(F)(F)F	815941657	JPVLRWKCAILHJT-ZDUSSCGKSA-N	408.685	5.086	30	20	HKED	
Fc1cc(CNc2cccc3oc(C(F)(F)F)nc23)ccc1OCC(F)(F)F	864009428	TWGGQFQJNWOXCT-UHFFFAOYSA-N	408.273	5.539	30	20	HKED	
C=CCc1ccc(OC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c(OC)c1	875126364	JVQROYYZNXSPDH-UHFFFAOYSA-N	407.080	5.652	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)cc1	915353408	SLCDWHHZPSHOMW-VWLOTQADSA-N	411.505	5.547	30	20	HKED	
CCCCn1nc(C)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1Cl	916546057	CVJQBJOGFJBHLV-UHFFFAOYSA-N	423.373	5.064	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccccc1OC	916931290	PBYHLBWHILPYNL-JUWJPQTCSA-N	416.477	5.145	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917044291	SGAIABXYOKCZAO-QMTHXVAHSA-N	424.831	5.612	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc4c(C)c(C)[nH]c34)n2)cc1	920139109	NIHILTQOASMHNV-IBGZPJMESA-N	401.491	5.407	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920142575	QTQVBGTZANYSQC-BEFAXECRSA-N	403.532	5.180	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)s3)CCC2)cc1	1786677342	RAIPCHFKMSDYOO-UHFFFAOYSA-N	420.987	5.068	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1	1788879990	OIVYIVGLXXTTSN-SFHVURJKSA-N	412.917	5.449	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1	1789092902	KVBMGGQVKDRRRS-QGZVFWFLSA-N	401.510	5.128	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCCC(F)(F)F)CCC2)cc1	1791298917	DOBKIBHRGWJAOX-UHFFFAOYSA-N	418.406	5.065	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc3ccccc3c1)C2	1798591352	UMKSSXCYAOKBJI-BKFWDETESA-N	418.581	5.013	30	20	HKED	
C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1	1830979508	DVLVVMLCTAJINJ-HXUWFJFHSA-N	410.583	5.019	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2SCC#N)cc1	4515983	CEYRSCLPKDBHQC-GZTJUZNOSA-N	402.306	5.302	30	20	HKED	
N#CCC[C@H](C#N)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1	7203856	KTFQUTDMTUIYJO-CQSZACIVSA-N	400.935	5.091	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	32291026	JVODHTWJQYPNME-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OC1CCCC1	49330560	PRSIJZIYEOWXAH-DLBZAZTESA-N	407.514	5.010	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2cc3ccccc3[nH]2)cc1OCC	58474351	WAJMVGYFSDCDSX-UHFFFAOYSA-N	415.331	5.184	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	78720033	YSKFJYYVBIXSEM-ZIAGYGMSSA-N	408.445	5.506	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)Cc1ccccc1F	108974315	HKODUNQUUOKXAY-UHFFFAOYSA-N	409.530	5.463	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCCCCC#N)cc1	195534201	TXZANAKBDQMWCG-HAVVHWLPSA-N	417.578	6.289	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cnn1Cc1ccccc1	303057653	SZVCHDHNHBCLGN-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)ccc1F	303170620	JCZICPLCRHREFB-UHFFFAOYSA-N	406.269	5.309	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F	303324931	IMQYTAUWXLFVON-NSHDSACASA-N	418.437	5.040	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1	303404052	RXJJWGBHBNWSNH-AWEZNQCLSA-N	419.531	6.060	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	303847271	MWCBSDNGAASBMF-LSDHHAIUSA-N	406.473	5.774	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1c(C)cccc1-c1nc2cc(F)ccc2n1C(C)C	303958230	YHYJJFBQXNIYKA-KRWDZBQOSA-N	409.505	5.651	30	20	HKED	
C=CC[C@@H](CO)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	410071048	QOMSBLXOVMEWPJ-AWEZNQCLSA-N	401.915	5.045	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4ncccc4Cl)CC3)c2)cc1	430508200	GBICBVORUAWCET-UHFFFAOYSA-N	416.912	5.370	30	20	HKED	
C[C@H]1CCCN(Cc2ccccc2CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1	431810080	NNRXODDMDVMBFY-SQJMNOBHSA-N	418.585	5.153	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cccc(OCC(F)(F)F)c1	431923146	HFQIBGQPEPBUJO-CQSZACIVSA-N	408.445	5.061	30	20	HKED	
N#Cc1csc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)c1	437414446	VPNGHFDGSQDACB-UHFFFAOYSA-N	415.543	5.633	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1Cl	440774501	XWYYMLNBAHLZJL-UHFFFAOYSA-N	406.711	5.418	30	20	HKED	
C[C@H](S[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1)c1cccc(C#N)c1	443141654	DWCXDCGKVPRZKR-QWHCGFSZSA-N	407.520	6.084	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C(F)F)cc1	460755248	CYJDZQHXYGXWEB-CQSZACIVSA-N	406.523	5.890	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1Cl	462268525	HUVSRKRZNGEDIU-SYYKKAFVSA-N	409.917	5.075	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3CCC(F)(F)F)c2)cc1	465119479	IWHRLVUEWCUHOM-UHFFFAOYSA-N	410.395	6.098	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	467285271	CKQOKSCELSWILB-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
CCc1nnc(Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)c(C#N)c1CC	467786242	SJAOLKZKSDARRJ-UHFFFAOYSA-N	420.900	5.195	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	468410223	WTAVIZRRAFRZTJ-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cccc(SCC#N)c1	469291383	QWYVQSTTXYEYOF-INIZCTEOSA-N	407.564	5.567	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C#N)Cc4ccc(C#N)cc4)cc3)sc2c1	470710946	IXJIYJDXLAYDFL-FQEVSTJZSA-N	422.513	5.464	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1	470919083	LEYCUIYCVBDYQW-UHFFFAOYSA-N	419.594	6.023	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1Cl	473778734	MPDGSKAJAXHURH-UGESXGAOSA-N	409.917	5.075	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc12	474431657	DUBMVRFDIWLJOA-INIZCTEOSA-N	424.526	5.605	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c2C(F)(F)F)cc1	474432711	NLYBXEFOVKEJLZ-AWEZNQCLSA-N	418.444	5.270	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(C2CCCC2)n1	477344486	AUXGDCNNXUXHRV-INIZCTEOSA-N	414.600	5.264	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482407540	MWSDUPJALROOKC-FVMDXXJSSA-N	408.317	5.249	30	20	HKED	
Cc1onc(-c2ccncc2)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	483447164	JAFRXWFEIWNISR-MRXNPFEDSA-N	420.881	5.312	30	20	HKED	
N#CCn1c(/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)nc2ccccc21	486101473	FYCYRNYSLLSWBN-OUKQBFOZSA-N	416.488	5.037	30	20	HKED	
C=CCN(Cc1cccs1)[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1	499052931	FXHYAXILIQIPLT-QHCPKHFHSA-N	406.551	5.515	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)[C@H]1CCC[C@@H](C)C1	499312253	KMXNYFOFVUVYGI-QGUBCYKSSA-N	420.601	5.338	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc12	499954515	XCHKWULWIMVYEY-GOSISDBHSA-N	406.898	5.044	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc([C@H]4CCCOC4)c3)n2)cc1	500467843	XWBZOLRGSSASLJ-FPOVZHCZSA-N	418.518	5.203	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)C3CC3)c2)cc1	504166670	UMPYNJAMJJQYBC-VWLOTQADSA-N	411.505	5.604	30	20	HKED	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1sc2ccc(C#N)cc2c1C	505296200	RLMFFZZHZRCRKY-GFCCVEGCSA-N	414.914	5.401	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1csc(Br)c1)C1CC1)c1ccccc1	506359968	VRIYUFDCAPYCGX-QGZVFWFLSA-N	418.360	5.230	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)CC2)c1	506515824	MBHHUSQABBHFPK-UHFFFAOYSA-N	423.463	5.026	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	507828247	UMWVWHXEGDFREJ-INIZCTEOSA-N	424.932	5.301	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Oc4ccncc4)c(Cl)c3)CC2)c1	509041277	XMEPXRZXAKLZQT-UHFFFAOYSA-N	407.832	5.208	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)cc1Br	509865974	PNZZBGCFYXRLLV-HNNXBMFYSA-N	412.312	5.075	30	20	HKED	
CCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1	510373536	LCQARTHXHQXZDT-UHFFFAOYSA-N	401.413	5.367	30	20	HKED	
CCC(CC)N(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21	511313117	CJVOWHCELQDKDZ-QFIPXVFZSA-N	407.583	5.281	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	511394428	ALLDUPGMBMNBOY-CQSZACIVSA-N	423.488	5.177	30	20	HKED	
C=CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F	514294567	PNHWNTCTAGMBJH-UHFFFAOYSA-N	411.546	5.148	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)cc2)ccn1	517205969	UTSIHLBFXUMFKT-KRWDZBQOSA-N	418.884	5.420	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCSCc1ccccc1F	518169507	QTDWNMYRORNTCG-OAHLLOKOSA-N	403.548	5.132	30	20	HKED	
CCc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N(C)C)cc1	518255918	JXXQPGQMOJPYJV-DYESRHJHSA-N	410.587	5.068	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)cc1	518370316	AAKQNWYJOVAVDE-UHFFFAOYSA-N	422.282	5.175	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCCc4cc(Cl)cc(F)c43)o2)cc1	518834413	CPBGQTWRGLVIJD-UHFFFAOYSA-N	410.832	5.116	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1	521187189	AIMOSNPAXYSLRY-OAHLLOKOSA-N	423.866	5.298	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	521746280	FCOATJOPUGZLQH-JTSKRJEESA-N	418.566	6.179	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12	522830756	VVAFCXUSXRFOTH-ZDUSSCGKSA-N	411.305	5.399	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccn2)s1)c1nc(-c2ccc(Cl)cc2)cs1	533955572	OQHNRYIJIRYXDY-CQSZACIVSA-N	422.922	5.472	30	20	HKED	
COc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1-c1ccccn1	534358855	OCVGUSUOVDJWJH-SFHVURJKSA-N	412.276	5.059	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2c1	535385475	BUGGAJPGYAWNBL-LJQANCHMSA-N	420.497	5.705	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3ccccc3Oc3ccccc3C#N)c2)o1	537558556	KDFXIZBHXAHIDR-UHFFFAOYSA-N	410.433	5.215	30	20	HKED	
COCc1c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)oc2ccccc12	541071048	QDDULMSZWLMFQW-QGZVFWFLSA-N	410.473	5.609	30	20	HKED	
C[C@H](N[C@H](C)c1nc(Cc2ccccc2)no1)c1ccc(-c2cccc(C#N)c2)cc1	543862397	QVHSIABCISRPAZ-RBUKOAKNSA-N	408.505	5.611	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1Cc1ccncc1	545149548	DUOXTYJEEXZSQG-KRWDZBQOSA-N	404.539	5.195	30	20	HKED	
N#Cc1cccc(C2(NC(=O)c3ccc(-c4ccccc4OC(F)(F)F)o3)CC2)c1	560841041	FOTYIEAHKXWYFA-UHFFFAOYSA-N	412.367	5.136	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1	561616034	WZJKODISBMKSHL-IBGZPJMESA-N	405.325	5.560	30	20	HKED	
N#Cc1cc(Br)ccc1CN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F	561875393	FVUDDHFMXMINKF-KRWDZBQOSA-N	408.221	5.195	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)Nc2ccccc2CC#N)c2cnn(C(C)C)c2n1	563259375	SOIWIHKSBYGNCK-UHFFFAOYSA-N	409.493	5.306	30	20	HKED	
N#CCCCn1cc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)c2ccccc21	563748765	MCJSKJQYIJMDGN-UHFFFAOYSA-N	422.435	5.382	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1F	564428463	SWTBZBGHETVTNJ-LJQANCHMSA-N	421.394	5.006	30	20	HKED	
COc1cc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1C#N	569413755	VKIVCQWGCCWWJB-UHFFFAOYSA-N	423.856	5.211	30	20	HKED	
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cc(C#N)ccc1Cl	574552459	XPXWIYXUWPXAPX-LLVKDONJSA-N	419.699	5.577	30	20	HKED	
C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1	576613398	YKEFFDIKYNKARJ-LJQANCHMSA-N	415.493	5.172	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]2CCCC[C@@H]12	580114650	CTJLRHDQCFHVFP-OUOWLKGYSA-N	403.526	5.374	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc3c(Cl)cccc3n2CC(F)(F)F)ccc1Cl	582320058	BBOAKNGBVGVNHK-UHFFFAOYSA-N	413.186	5.029	30	20	HKED	
C=C(C)CCNc1cc(NC(=O)c2ccccc2I)ccc1F	583109788	ZSHDBCQQZXETIA-UHFFFAOYSA-N	424.257	5.061	30	20	HKED	
Cc1cccc(C2(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CCC2)c1	602097076	QWYMWVFHCKLBKH-UHFFFAOYSA-N	420.563	5.071	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)s1	603530271	FGQDEVLPKRIDMC-UHFFFAOYSA-N	409.580	5.279	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)s4)on3)cn2)c1	603637940	PFMXGQFRWVTMOT-UHFFFAOYSA-N	422.853	5.368	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(C(F)(F)F)cc3)cn2)cc1	603690945	VMPWMPXBDIMXST-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603763470	ASPKVYQAADPZQZ-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1cccs1	609078606	CGMIUWWHLASDIR-JOCHJYFZSA-N	417.534	5.876	30	20	HKED	
N#Cc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(F)c1	609228979	PEXFIPVQHPJCQV-UHFFFAOYSA-N	415.443	5.234	30	20	HKED	
Cc1nc2ccccc2nc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N	609371431	KCDPPUOAECNQMO-CQSZACIVSA-N	408.552	5.063	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F	609384738	OALIRCOKJONBIN-UHFFFAOYSA-N	413.852	5.415	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cc2ccccc2)cc1	609385728	GJCBSNYZBINIHD-LJQANCHMSA-N	416.546	5.689	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccccc2SC[C@@H](C)C#N)c(Cl)c1	609387044	HNPOAWQXURWSTR-HOCLYGCPSA-N	401.963	5.648	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609422157	ILDIUAYTYZBQBO-GOSISDBHSA-N	412.493	5.578	30	20	HKED	
CCn1c([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc21	609502701	CWNCSPHLOCXHAQ-GOSISDBHSA-N	424.504	5.406	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2n1C	609839099	IGNZDODTVYEWEO-INIZCTEOSA-N	412.518	5.087	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C)ccc1SCC(F)(F)F	609932685	AFTDMQHIRGXHRX-UHFFFAOYSA-N	419.472	5.741	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(C4CC4)nc4ccc(F)cc34)cn2)c1	610290429	ADYDGTARCKAZBO-UHFFFAOYSA-N	424.435	5.563	30	20	HKED	
C[C@@H](NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1cccc(C#N)c1	610360755	FPFSHVIZKAEVKS-IVZQSRNASA-N	408.473	5.547	30	20	HKED	
C=CCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	613405343	ZHUGFYZBHVKJBK-HNNXBMFYSA-N	402.397	5.370	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1sc3cccc(Cl)c3c1Cl)CCCC2	614298807	DWXNMVOJENRJKC-UHFFFAOYSA-N	402.306	5.606	30	20	HKED	
C=C(C)COc1cc(CN[C@H](c2ccccc2)c2ccc(OC)cc2)ccc1OC	622266308	ITKQAMARZKKLGQ-AREMUKBSSA-N	403.522	5.538	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nc2ccccc2o1	673812222	RVKBJXPBMPROOP-ZDUSSCGKSA-N	413.380	5.460	30	20	HKED	
Cc1cc(C)cc(-n2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2C)c1	679092955	WACFNBROFBRYEQ-QGZVFWFLSA-N	404.470	5.036	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	679557104	XJFKIBIJTNLQSE-DTWKUNHWSA-N	418.309	5.084	30	20	HKED	
O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1nc2ccccc2s1	730948311	CMDPFQPNUWAAEW-JXMROGBWSA-N	405.431	5.063	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1	731223599	IECABZNKDNGYMB-AHWVRZQESA-N	423.516	5.034	30	20	HKED	
CC(C)c1ocnc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	732495862	IWQYXBFVXHLJKK-GFCCVEGCSA-N	406.294	5.718	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccccc3)nc2)cc1	733680296	YUTKXJQEWOFEHQ-VGSWGCGISA-N	413.477	5.349	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1)c1ccncc1	734660811	BFQXVIYVVUWVLR-RPWUZVMVSA-N	401.510	5.186	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1)c1ccncc1	734665635	NZWOTQANCLEUPS-ZEQRLZLVSA-N	419.500	5.130	30	20	HKED	
Cc1ccc(Oc2ccc(OCC(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)cc1	735791093	UFUOFIGCSMKYHC-NRFANRHFSA-N	411.461	5.227	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N	747842335	DDGYNRILVOQUNR-RZQQEMMASA-N	418.928	5.001	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NCc2cccnc2)cc1	751373791	SRASUANNUKGVBA-RUZDIDTESA-N	418.500	5.601	30	20	HKED	
COc1ccc(/C=C(/Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc1OCCCC#N	751518025	QSBHKDASAIZBIY-XNTDXEJSSA-N	413.817	5.164	30	20	HKED	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	754875825	UJASERSNBFSMMU-RBOXIYTFSA-N	421.950	5.065	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	755365332	KANUWUBXTSWLAK-AWEZNQCLSA-N	409.232	5.316	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(Cc4ccccc4)CCC3)n2)cc1	757882770	XFQIFDWMFYNNJL-FQEVSTJZSA-N	402.519	5.408	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1	764212652	RAXPHLCBPAOPJC-UHFFFAOYSA-N	419.378	5.068	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc3c(s2)CCC3)cs1	764442301	NIEBTYMBMPXZAD-DHZHZOJOSA-N	408.548	5.582	30	20	HKED	
Cc1cc(C)c(NC(=O)COC(=O)c2cn(CCCC#N)c3ccccc23)c(Cl)c1	769545514	WJHTVGRUJAPREB-UHFFFAOYSA-N	423.900	5.011	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)Cc1ccc(OCC#N)cc1	770329597	XDQPOROBKIAQIH-UHFFFAOYSA-N	418.518	5.071	30	20	HKED	
C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1cccc(OCC#N)c1	772417386	LEUBVKYQDRESLP-CLOONOSVSA-N	411.505	5.200	30	20	HKED	
COc1ccccc1-c1nc(CON=C(C)c2ccc(NC(=O)C3CC3)cc2)cs1	774806554	DQPRNDLCXXHECB-UHFFFAOYSA-N	421.522	5.108	30	20	HKED	
Cc1cc(-c2cc(C(=O)O[C@H](C)C(C)(C)C#N)c3cnn(C(C)C)c3n2)c(C)s1	777339579	YJRRXHYDPKIBIC-OAHLLOKOSA-N	410.543	5.453	30	20	HKED	
Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2ccccc2SCC#N)s1	777362130	UCGFUYSDQKAYHB-UHFFFAOYSA-N	413.955	5.564	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)cc1	791127508	HSSQPAIFMFEOMV-UHFFFAOYSA-N	407.514	5.222	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2nccc3ccccc23)n1	792099225	GWJUSLILUHNVJN-HXUWFJFHSA-N	415.543	5.782	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cc(Br)no3)cc2Cl)c1	793861253	ANSMWGPSLXTYTM-UHFFFAOYSA-N	418.678	5.153	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc(F)cc2Cl)CC2CC2)cc1Cl	795096714	PMCUBTHIOCHRJK-UHFFFAOYSA-N	408.329	5.613	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1cccc(OCC#N)c1	797832342	WICMXRVVVTXQIK-UHFFFAOYSA-N	402.237	5.112	30	20	HKED	
CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)CCCCCC#N)cc1	808668151	AYYCTNRYNZGUTB-UHFFFAOYSA-N	400.526	5.308	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1	814307522	LWDGYGTUSTXWBR-DNVCBOLYSA-N	423.904	5.185	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1	814532279	QIZABXLLYMFPMO-LJQANCHMSA-N	410.905	5.023	30	20	HKED	
Fc1ccc(-c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)nc1	904936428	IVGIPGQKUNSTBP-UHFFFAOYSA-N	409.236	5.227	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccncc2)ccc1OCCOc1ccc(C)cc1	916136051	FMMQSUIFRXXMMR-POHAHGRESA-N	403.478	5.143	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2csc(-c3ccccc3)n2)cc1	916546510	VREDNMVOCZYXON-UHFFFAOYSA-N	411.943	5.230	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc2cc(Cl)ccc2s1	917044043	PCWSWRZMBYWTJK-RISCZKNCSA-N	403.290	5.031	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3ccc(C)cc3)n2)ccc1OC(F)F	918713247	QGPKGYNWVCDXTD-HJWRWDBZSA-N	401.434	5.625	30	20	HKED	
C[C@@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920143505	XAOFCGLXYXTHBX-CZUORRHYSA-N	423.950	5.692	30	20	HKED	
COc1ccc(-c2nc(S[C@@H](C)c3c(C)cc(C)cc3C)nc(O)c2C#N)cc1	920753639	QJPYHSUSIOQNHB-INIZCTEOSA-N	405.523	5.508	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1	1789453667	DYMOCYNETACBDJ-GOSISDBHSA-N	412.917	5.449	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1	1790226531	IJCVAZSSXFRBMV-UHFFFAOYSA-N	416.308	5.045	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1	1791248631	AGUVDTPUZGDZDT-INIZCTEOSA-N	419.500	5.267	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCSC3)cc2)CCC1	1792286474	YJLSKSIQUGVOTM-WIYYLYMNSA-N	412.599	5.032	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825789784	SGSACDFBUQWTCD-LEWJYISDSA-N	414.615	5.058	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2cccc(C)c2)c1	11153519	MEJZXTMXRCNKOZ-UHFFFAOYSA-O	403.571	5.567	30	20	HKED	
C=CCc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc(OC)c1OC	18184705	QWZXGXJKJTZNAW-UHFFFAOYSA-N	422.506	5.011	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC	34828542	OYYVGLBHJLFDBP-KAMYIIQDSA-N	404.462	5.188	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Cl)cc1	41520214	HRNYQNFZCQCYRA-KRWDZBQOSA-N	412.898	5.183	30	20	HKED	
CN(Cc1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161493	PTEAYMSEUCZDHC-UHFFFAOYSA-N	419.912	5.649	30	20	HKED	
CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc21	48161709	NTUUNHAYYQDUOT-VWLOTQADSA-N	411.505	5.483	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc2ccccc2s1	63235120	DLQKZOHSSOYUQS-HXUWFJFHSA-N	420.497	5.639	30	20	HKED	
CCN(Cc1csc(COc2ccc(Cl)cc2)n1)[C@H](C)c1ccc(C#N)cc1	64626970	QDCKTHQOMPWSKB-MRXNPFEDSA-N	411.958	5.830	30	20	HKED	
Cc1sc(NC(=O)c2sccc2C#N)nc1-c1ccc(Br)cc1	216091628	FDZOKYFYPFTYEW-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1	303675371	QHARRPLGQHPMJE-MUUNZHRXSA-N	402.535	5.093	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	410185960	REBDFNLRSHSXFO-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C#N)cc3Cl)c12	430357907	TZNCRLFXNARABG-UHFFFAOYSA-N	406.829	5.213	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)s1	430596868	XVYBSFXJCVUJIH-AWEZNQCLSA-N	424.547	5.430	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCC1(CC#N)CC1	431188399	BDPGGWSGZHPNLI-INIZCTEOSA-N	401.963	5.238	30	20	HKED	
CCc1ccc(-c2noc([C@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)n2)cc1	431279541	GMHMJSAFVIVKAQ-UWJYYQICSA-N	417.513	5.094	30	20	HKED	
CC(C)c1nc(C2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)no1	432686729	MJBQQXCDOWHQNP-UHFFFAOYSA-N	414.509	5.004	30	20	HKED	
CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)C2	434216065	FMOSCVDHZXGOLZ-UHFFFAOYSA-N	413.477	5.339	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C1CCCCC1	438073790	NBVXBMDJWCVRLB-IBGZPJMESA-N	407.583	6.305	30	20	HKED	
N#Cc1cc(NC(=O)NCc2nccs2)ccc1Oc1ccc(C(F)(F)F)cc1	438541120	NEUSTPJAFJRBDB-UHFFFAOYSA-N	418.400	5.148	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2ccc(C#N)cc2Cl)n1Cc1ccco1	438886326	XFDFZNWMCHMEJT-UHFFFAOYSA-N	420.925	5.712	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C	439114330	LMQLMEPEJBGQJR-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2cnn(C(C)C)c2n1	443875351	FBFHJMAMLLMNTP-UHFFFAOYSA-N	415.419	5.278	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1c(F)ccc(Br)c1F	447419338	SQZZYOWGAUBBON-SNVBAGLBSA-N	411.271	5.231	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCc2[nH]c3ccccc3c2C1	460780751	DOZDCCYPYXGWKR-UHFFFAOYSA-N	420.520	5.113	30	20	HKED	
C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1	466124818	FIOAOVSLQLAYKZ-XARZLDAJSA-N	423.944	5.162	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C	468167121	DTFQBUGHMVFEBF-IBGZPJMESA-N	421.541	5.052	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1	468826187	DPRJRAGOGJHRAR-UHFFFAOYSA-N	407.429	5.162	30	20	HKED	
N#Cc1cc(NC(=O)CC2(O)CCCC2)ccc1Oc1ccc(C(F)(F)F)cc1	468974870	NZZJPPKBLRVIDI-UHFFFAOYSA-N	404.388	5.003	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1	470649452	SZHFLTZLQNEACY-UHFFFAOYSA-N	404.510	5.018	30	20	HKED	
CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	474912072	BIUHVZYAZACIAV-UHFFFAOYSA-N	421.497	5.097	30	20	HKED	
N#CC1(c2ccc(C(=O)N(Cc3cccc(Br)c3)CC3CC3)cc2)CC1	474975841	WUHIXHLKSBBOAV-UHFFFAOYSA-N	409.327	5.057	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	475105525	DCXXGKIYPRUGJL-MRXNPFEDSA-N	407.857	5.211	30	20	HKED	
N#CCCn1cc(CNc2cc(-c3ccccc3)ccc2Cl)c(-c2ccncc2)n1	475358140	JKIHRBJYHBOEML-UHFFFAOYSA-N	413.912	5.791	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSC[C@H](C)c2ccccc2)n(Cc2ccco2)c1C	475864702	BJZKTCVOLBVKOC-INIZCTEOSA-N	407.539	5.093	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c1	483231073	NFGIXYIVBLNFPW-SFHVURJKSA-N	424.847	5.437	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C	484957301	CEUSKKASRSXMJF-KRWDZBQOSA-N	419.504	5.408	30	20	HKED	
CSc1cccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1[N+](=O)[O-]	485492063	OVCOXUIERJMLQR-OAHLLOKOSA-N	417.490	5.346	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1	488014449	MQTSRFSBKBCJSR-ZEQRLZLVSA-N	402.444	5.169	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccs3)o2)nnc1-c1cccc(OC)c1	488914034	RVTYXXRZARCXCT-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
N#CCCCn1cc(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c2ccccc21	490960010	HVMZKBQDOMIPDN-FQEVSTJZSA-N	413.443	5.411	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1Cl	495307669	GBEFUGUEIMCAGO-QGZVFWFLSA-N	415.802	5.662	30	20	HKED	
N#Cc1ccsc1C(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1	497978957	AWIIUQYEPYUDMV-UHFFFAOYSA-N	416.424	5.703	30	20	HKED	
CC(C)CN(C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)c1ccc(C#N)cc1	499299058	FTVCSKKZYIKQRW-UHFFFAOYSA-N	402.498	5.398	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21	502679293	JVQIIZFJVGZGDG-VWLOTQADSA-N	416.521	5.214	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C	503370712	AMZXJXHJGBZWDG-XCGNWRKASA-N	413.974	5.055	30	20	HKED	
COc1ccc(CN(C)[C@@H](C)c2ccccc2Br)cc1OCCCC#N	507236691	YUGCBUPMAVJAMP-INIZCTEOSA-N	417.347	5.333	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1ccccc1F	510907224	ULVGCRHTTUQGAV-QGZVFWFLSA-N	403.457	6.023	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	511174579	IFVVFSQRKGLRIK-JOCHJYFZSA-N	407.876	5.306	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccncc2)cs1	512963272	BPNHKMSJASJVPR-HNNXBMFYSA-N	422.922	5.472	30	20	HKED	
CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)o1	513678324	LOIXEMKBUZDSQI-UZUQRXQVSA-N	423.532	5.069	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(F)c(Cl)c2)cc1	513999733	PPJSJSCKONHLLP-UHFFFAOYSA-N	423.875	5.446	30	20	HKED	
CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	514223819	TXIWNJDZTAIYAI-RHSMWYFYSA-N	414.493	5.491	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	514575983	UYISLORMAQQTHM-KKSFZXQISA-N	415.880	5.273	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2cccs2)nc1C)c1nc(-c2ccccc2)cs1	516071465	JSHXAXIOMHVSGN-UHFFFAOYSA-N	417.559	6.075	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc4sccc4s3)c2)cc1	516399684	OMUHNFSEAMUOPD-UHFFFAOYSA-N	404.516	5.860	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Cl	516464583	OXNJMQCEABTMGG-KRWDZBQOSA-N	407.695	5.016	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	516858429	IMRROOCPSCCQFF-GOSISDBHSA-N	408.567	5.881	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C	517578728	MAXUZUMRWFVOJP-SFHVURJKSA-N	421.566	5.586	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	518147705	HRGUGKGUGPWFAX-CQSZACIVSA-N	424.513	5.972	30	20	HKED	
Cc1cccc(COc2cccc(NCC(=O)Nc3cc(Cl)ccc3C#N)c2)c1	518422951	JTKOIHSTEBTQLX-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
CN(CCOc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519989265	KUMVLIUQPGITJT-UHFFFAOYSA-N	405.429	5.032	30	20	HKED	
Cc1ccnn1-c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	520427439	JEDKLQFGGWUPNE-INIZCTEOSA-N	420.444	5.073	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1	521258147	QFDMBZMDPYSQPT-IAGOWNOFSA-N	407.539	6.300	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(CSc2nccn2C)c1	521726845	LNDVCFFDUMWQTJ-MRXNPFEDSA-N	422.579	5.216	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	522312814	UKUCGHCQUGFTEL-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
Cc1nc(SCC(=O)N2Cc3ccccc3-c3ccccc3C2)c(C#N)c(C)c1C	523619776	RVWJHOCGOAVMJR-UHFFFAOYSA-N	413.546	5.180	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](c4ccccc4)CC3)o2)cc1	524133991	FQTOCXCBQCPALL-NRFANRHFSA-N	400.478	5.140	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1	524641375	JDKGFSQEZCYNMZ-IBGZPJMESA-N	400.453	5.194	30	20	HKED	
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc4ccccc34)o2)c1C	525518452	VKGWEAJKCWVCAM-UHFFFAOYSA-N	403.507	5.469	30	20	HKED	
C=CCCOCCCCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C	539520047	KGGAUKLRMOCHEL-QZTJIDSGSA-N	420.981	5.445	30	20	HKED	
CCCC(=O)Nc1ccc(CNC(=O)c2ccccc2Oc2ccccc2C#N)cc1	539775090	HLOZQMPPHILADV-UHFFFAOYSA-N	413.477	5.019	30	20	HKED	
CCCCn1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)n1	540198489	UJNZRHCYRZVRQD-UHFFFAOYSA-N	418.566	5.086	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1	542956284	DBDDVNSQOGDEGH-IBGZPJMESA-N	405.889	5.075	30	20	HKED	
C[C@H](NC(=O)c1cc(O)nc2ccc(F)cc12)c1ccc(-c2cccc(C#N)c2)cc1	543856901	OWEUXXOUQIGEOQ-HNNXBMFYSA-N	411.436	5.109	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	551717256	GEHRSYRBDHXUTP-QFIPXVFZSA-N	416.487	5.764	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1C	551742606	SYOFCVHSIMEJBV-UHFFFAOYSA-N	405.420	5.238	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1-c1ccncc1	553223423	GBJLKVDVJZSWFM-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	560624000	CWDCTEGPWUNLGV-AWEZNQCLSA-N	406.713	5.264	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCCc1nc2ccccc2s1	561238702	VVRMPBKQVQPHDO-UHFFFAOYSA-N	410.587	5.391	30	20	HKED	
C=CCn1c(C2CCC2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1	569742649	KBFWQBSZPLNKBC-LJQANCHMSA-N	404.562	5.046	30	20	HKED	
N#Cc1csc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	573261509	HZNDVLDADKADGU-UHFFFAOYSA-N	400.385	5.310	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	576321277	CITPSGOXJOAFCP-OAHLLOKOSA-N	406.873	5.147	30	20	HKED	
C[C@@H]1CC(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H](C)O1	580965008	RDWYZSWFPACWPY-RTBURBONSA-N	421.541	5.047	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F	581750443	ISIWFSUHSGLYFJ-INIZCTEOSA-N	424.467	5.404	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nc(C)n1	591861980	GSHKKXKQURFXBW-SNVBAGLBSA-N	410.713	5.758	30	20	HKED	
CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604499997	TWNMYWLOCSUOCL-UHFFFAOYSA-N	416.481	5.198	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	607404317	LKNOXRZDPZSANN-UHFFFAOYSA-N	406.505	5.938	30	20	HKED	
O=C(Nc1ccc(F)cc1OC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608330997	SKVVHNCRYFYYMV-HTQZYQBOSA-N	424.263	5.022	30	20	HKED	
CC(C)n1ncc2c(C(=O)N(C)c3ccc(C#N)cc3F)cc(-c3cccs3)nc21	608797998	FIKOJVFNIGANLO-UHFFFAOYSA-N	419.485	5.028	30	20	HKED	
CC(C)C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1	608864709	OHZLJNWZAFRRLQ-FQEVSTJZSA-N	403.448	5.506	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)c2)cc1	609208663	DCKLLGONDNBLSF-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)cc1	609515943	UZMPZIXPCGNBNJ-XMMPIXPASA-N	404.554	5.769	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NC3c4ccccc4Oc4ccccc43)cc2)nc1	609516835	AHEBSJILWICYQS-UHFFFAOYSA-N	419.440	5.371	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1	610186308	BHFXKPGBCKFBNZ-HMFYCAOWSA-N	400.478	5.137	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)CC(F)F)cn2)c1	610730264	QTTYUBRLLOAYDG-UHFFFAOYSA-N	408.408	5.045	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(Oc2ccccc2)c1	612482675	OPQRNGDMOANHIM-UHFFFAOYSA-N	413.930	5.487	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1ccco1)c1nc2ccccc2n1C(F)F	613403808	JHLPZPHNMKWGFC-INIZCTEOSA-N	423.444	5.807	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1	614888795	ASCRSLPROXTQCT-MRXNPFEDSA-N	412.917	5.172	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1	615024799	WOJFGJGRGDFGHV-IRXDYDNUSA-N	405.527	5.531	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1	619864085	PGZWFVXGBVDNJC-DOTOQJQBSA-N	416.959	5.196	30	20	HKED	
COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	620304089	ACGARRXWPSZRSL-INIZCTEOSA-N	420.440	5.740	30	20	HKED	
Cc1cnc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc1-c1ccccc1F	645033560	VJRQRVNHKAGUDD-TXEJJXNPSA-N	407.333	5.158	30	20	HKED	
Fc1ccc([C@H](NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccnc2)cc1	680337284	SWYLOFKTIGASNO-RKVPGOIHSA-N	420.372	5.809	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1N(C)C	726074909	WPQQMHBEMZORLQ-UHFFFAOYSA-N	416.500	5.306	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc(OCC(=O)O)cc1	727654175	ILKMPKLTSZOXLG-NYYWCZLTSA-N	413.882	5.131	30	20	HKED	
N#CCc1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1	729825072	JDIJGNZXPWSQGH-UHFFFAOYSA-N	405.704	5.636	30	20	HKED	
N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc2cc(F)ccc2s1	730420794	GLFMYIYDRXATHA-NSHDSACASA-N	411.310	5.711	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	731400542	QUHPRKKQWYGGIZ-QGZVFWFLSA-N	421.522	5.614	30	20	HKED	
CN(C)[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	732269324	HTCFKMWFTZOCQC-XZOQPEGZSA-N	403.913	5.237	30	20	HKED	
O=C(/C=C/c1nccn1Cc1ccccc1)c1c[nH]c2cc(Br)ccc12	734094266	BATCBESLCLYOGC-CMDGGOBGSA-N	406.283	5.071	30	20	HKED	
CCC[C@@H](NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N)c1ccccc1	735320442	SOFHLLPIUMMPBN-OXQOHEQNSA-N	416.974	5.522	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740060266	RVNATPJDTHTGQW-UHFFFAOYSA-N	411.477	5.297	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1	742631964	SZKJHPYOPQAUPT-UHFFFAOYSA-N	423.513	5.301	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2ccccc2C(F)(F)F)cc1	744030178	ZYHMRJUDGUNFSC-DNVCBOLYSA-N	416.443	5.499	30	20	HKED	
N#CCC1(COC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)CC1	744275934	ASJHBRRHDVIFQD-UHFFFAOYSA-N	414.292	5.247	30	20	HKED	
Cc1cc(-c2noc([C@H](C)ON=Cc3ccc(Br)cc3)n2)ccc1F	744445324	MNKWLFOJFIUIIK-LBPRGKRZSA-N	404.239	5.058	30	20	HKED	
C[C@H](Oc1cccc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)c1)C(=O)O	745022347	ZXOGINMUSKJTOZ-LXKVQUBZSA-N	413.882	5.212	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	747108913	MSDLDQHDMULPEY-OAHLLOKOSA-N	405.306	5.827	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)cnn1-c1ccccn1	748440828	GXUVQZLEPSDZRY-MDZDMXLPSA-N	406.898	5.249	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)s1	748999597	RWNLWSZHJOYMIS-NTUHNPAUSA-N	407.307	5.114	30	20	HKED	
C[C@H](OC(=O)c1ccccc1CC#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	757986231	ZJZLPKFXWXJPNM-NSHDSACASA-N	402.237	5.027	30	20	HKED	
CSc1ccc2cc(CN3C(=O)CS/C3=C\C(=O)C(C)(C)C)c(Cl)nc2c1	760421016	OJINXNAOMGJLPM-NVMNQCDNSA-N	420.987	5.142	30	20	HKED	
O=C(/C=C\c1nc2ccc(F)cc2s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	761481237	WOXXUDGBGQLBSA-QXMHVHEDSA-N	415.511	5.048	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)ccc1OC	764149299	GLERCGSSPDDQGV-QGZVFWFLSA-N	413.474	5.074	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1	765661206	ISCQKLAGIIGEJD-LJQANCHMSA-N	412.961	5.082	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2)c1C	766618426	PPIIOHBBJJYUDJ-QFIPXVFZSA-N	424.504	5.047	30	20	HKED	
CCCCOc1ccc(C(=O)NCc2cccc(O[C@H](C#N)CC)c2)c(Cl)c1	769946664	ZJQHDHALCRTLRH-KRWDZBQOSA-N	400.906	5.130	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](c1ccccc1)C1CCOCC1)c1ccc(F)c(F)c1	773288329	AMZNSOYGYHIJIJ-FCHUYYIVSA-N	400.469	5.049	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCc4c(Cl)cccc43)n2)cc1	776084207	JSVBISAKITTWLA-ZWKOTPCHSA-N	403.894	5.241	30	20	HKED	
C=CC[C@H](C(=O)OCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1	778658457	RMIDTPLUMNXQHH-SFHVURJKSA-N	416.502	5.467	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1-c1ccc(Cl)cc1	780150938	XRSJGBUDJKDJQI-HNNXBMFYSA-N	408.889	5.192	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cccc(Cl)c4o3)n2)cc1	783070548	CDKJEEJHTKFIRP-OAHLLOKOSA-N	408.866	5.708	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	783356614	DWSXZJGDSIJNDD-QGZVFWFLSA-N	412.898	5.188	30	20	HKED	
Cc1sc2ncn(N=C/C=C/c3ccc(F)c(F)c3)c(=O)c2c1-c1ccccc1	794871707	MVTPGUWAHAUZOB-XLQMAQRFSA-N	407.445	5.259	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1	794899787	WAZOBFVAYARRQY-ZDUSSCGKSA-N	400.301	5.085	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797569337	AQCVPKBINQJXCA-AAEUAGOBSA-N	423.351	5.397	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)COCc3ccccc3)n2)cc1	800387878	WDUGFALXHWBQCH-HXUWFJFHSA-N	404.535	5.538	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc2ccccc12	812393655	GUFIKXJRMLTZGT-UHFFFAOYSA-N	401.516	5.530	30	20	HKED	
N#CCCC[C@H](NC(=S)NCCSc1ccc(Cl)cc1)c1ccccc1	814209960	HZRKRNCANLYOFU-IBGZPJMESA-N	404.004	5.331	30	20	HKED	
Cc1noc(C)c1COc1ccccc1C(=O)N(O)Cc1cc(Cl)cc(Cl)c1	901379607	LHMOAFPPEOQJHL-UHFFFAOYSA-N	421.280	5.209	30	20	HKED	
Cc1ccc(N=Cc2c(O)ccc3ccccc23)cc1NS(=O)(=O)c1ccccc1	915980085	NGFZSRXSMBJCBC-UHFFFAOYSA-N	416.502	5.405	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cl)nc2)cc1Cl	916684311	XLSBCPNVEBQQJN-SFHVURJKSA-N	411.292	5.366	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2[nH]1	916844712	YCDDZUBKZSDAMC-HGPCXVNDSA-N	403.894	5.834	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1	916904890	KAGDDJNVVJHGAW-IBGZPJMESA-N	420.465	5.058	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	916904971	GYHZDRDMIOIRTL-QGZVFWFLSA-N	419.506	5.158	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccccc2C)c1=S	917482911	NBAZZZVPFVZRIY-OAQYLSRUSA-N	420.582	5.379	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3ccccc3C2=O)cs1	917561912	QWSABJWOWCDLBJ-UVTDQMKNSA-N	410.882	5.140	30	20	HKED	
COc1cc(/C=C2\SC(=S)N(c3cccc(C(C)C)c3)C2=O)ccc1OCC#N	917645283	WJSHUVXTXRBHKM-NDENLUEZSA-N	424.547	5.127	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1	919773274	AFHVXGWCDICDPX-PKTZIBPZSA-N	415.468	5.517	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	920101556	DRNKILKLLPMSDF-CQSZACIVSA-N	405.504	5.175	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(O)c(C(F)(F)F)c1	1543603962	YVMADNQZUIRFHT-UHFFFAOYSA-N	413.355	5.031	30	20	HKED	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1	1790452485	CUWOSQBROSFNDS-UHFFFAOYSA-N	415.537	5.247	30	20	HKED	
N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CCCC4)cc3)CCC2)c1	1790515475	MFPKXAOXGPBIFT-NTEUORMPSA-N	413.521	5.052	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccs3)CCC2)cc1)C(F)(F)F	1791303184	NWBHMUCREVQDQR-MDZDMXLPSA-N	420.456	5.014	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(O)c2)cc1C	10831877	DXXCJYCAOXPXJK-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
COc1cc(C#N)ccc1Oc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3	15170549	SPWBXIIFKVRDAP-UHFFFAOYSA-N	414.490	5.305	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2ccccc2o1	41545333	DIZFAPMHCDPJNX-LBPRGKRZSA-N	401.472	5.656	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1	41552554	WROOANXYWZWLKY-MRXNPFEDSA-N	416.378	5.039	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2ccc(C#N)cc2Cl)cs1	54915485	BQNPYHAVOIXENZ-UHFFFAOYSA-N	418.305	5.585	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(Cl)cc2)cc1	55823631	PLHTZAYILLHMOE-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	56913010	MHVTZCYFDCPXAW-LJQANCHMSA-N	419.500	5.259	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1	64141768	VINORRIPCZDFRH-UHFFFAOYSA-N	418.566	5.420	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCOc2ccc(F)cc21	64819308	XCYKZYDZDGVXCQ-FQEVSTJZSA-N	418.493	5.492	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	303507383	NINNZZWVLXQDRW-GOSISDBHSA-N	417.534	5.427	30	20	HKED	
COc1ccc([C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C2CC2)cc1	303642054	RESQZHMXOXLHGC-RUZDIDTESA-N	412.489	5.027	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	410367317	TUOPRWNZDNSAMX-UHFFFAOYSA-N	403.379	5.401	30	20	HKED	
Cc1ccc(Oc2ccc(NCc3cn(CCC#N)nc3-c3ccncc3)cn2)cc1C	432747323	IRPZGBGMEIJOHM-UHFFFAOYSA-N	424.508	5.275	30	20	HKED	
Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2s1	433148679	BHQRFNVCNXSNEY-GFCCVEGCSA-N	411.458	5.497	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1	435679966	DCEJTSKRHXXYKC-UHFFFAOYSA-N	424.382	5.129	30	20	HKED	
CCCc1c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C#N)c1	440083658	UDRKXRTZPHMOHO-JKSUJKDBSA-N	404.436	5.004	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3coc4ccc(OC)cc34)n2)cc1	442503575	DNCKAKCWLKVZOP-QGZVFWFLSA-N	404.447	5.064	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)cs1	443920343	JOHJAXIDEZRCIE-UHFFFAOYSA-N	400.507	5.629	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)N(CCC#N)CCCN(C)C)cc1	444429935	DDTZMEXFVUMONG-IBGZPJMESA-N	410.587	5.239	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OC(C)C)cc2Cl)c1C#N	444513230	QATLLKZFMGJFQW-UHFFFAOYSA-N	401.919	5.245	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)c1	445984653	BQJUROZDUXTPAR-UHFFFAOYSA-N	411.310	5.339	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1ccc(C#N)nc1	460246071	YZTUBZPXDMDWOA-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(N(CCC#N)CC2CC2)n1Cc1cccs1	461477945	GBTPEATZJLUOLU-NRFANRHFSA-N	405.571	5.060	30	20	HKED	
CN(C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463667000	RFNCNXPDFVYJEC-HZSPNIEDSA-N	400.338	5.192	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccccc1F	463932130	KGBXXLCFGPRBSD-KRWDZBQOSA-N	420.509	5.187	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)C(F)(F)F)cc1	464318691	NIYMUCQPIGBXEU-CQSZACIVSA-N	413.264	5.026	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)cc1	464791699	GBJZVWZNRRMEFT-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
CCO[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C12CCCC2	464872255	HXZAYVOZSPRAKJ-FCHUYYIVSA-N	406.551	5.177	30	20	HKED	
CCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C)c1	465450465	CUUFLVVGAMJJPT-UHFFFAOYSA-N	402.498	5.040	30	20	HKED	
COc1cc(OC)cc(N(C)C(=O)c2ccccc2Sc2ccccc2C#N)c1	466628919	WPZXCRJYJZGEBF-UHFFFAOYSA-N	404.491	5.003	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1	469676471	DAXSFQUXDDNOCV-LSDHHAIUSA-N	401.482	5.380	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	470392682	HBVIVDLOZGXLGV-GOSISDBHSA-N	421.394	5.684	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(-c2ccncc2)cc1	470510765	ZVERRAZYAZPASU-PNTFMKQHSA-N	410.521	5.291	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2nc3ccccc3s2)CC1	475578023	KUZJOOWQFHRANA-UHFFFAOYSA-N	419.594	6.560	30	20	HKED	
CN(C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1)c1cc(Cl)ccc1C#N	479564691	GSHNBKRTGAJAMC-UHFFFAOYSA-N	408.889	5.127	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N(CC(F)(F)F)c2ccccn2)cc1	481177047	PSKLBWPIVPLYHB-UHFFFAOYSA-N	413.424	5.314	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1	481364728	RJTFILOSESQTNB-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N(CC(F)(F)F)C2CCCC2)cc1	485233555	ICFBXBKSPVNQMW-UHFFFAOYSA-N	402.416	5.084	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1cccs1	489391520	AMNRSOKJKPBXSG-AWEZNQCLSA-N	409.540	5.404	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)c1ccccn1	496173578	VWTUDFXEXDLLGS-JOCHJYFZSA-N	407.429	5.551	30	20	HKED	
C=CCN(C(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CC1	498663650	OXPKGECMOAISRF-FQEVSTJZSA-N	404.432	5.163	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1nc2c(s1)CCCC2	499312851	CTZCKYKYXOOKNM-HOTGVXAUSA-N	417.372	5.107	30	20	HKED	
C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccccc1S[C@H](C)CC#N	499891437	VXRPUBGACPQPFY-HSALFYBXSA-N	422.598	5.208	30	20	HKED	
CCCc1nc(C)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	501467143	MYBROMXBNUNVPK-UHFFFAOYSA-N	405.523	5.301	30	20	HKED	
C[C@@H](c1ccccc1Br)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C	502877661	RNUVHMBYHVVNJC-ZDUSSCGKSA-N	403.324	5.102	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1	504355987	QUDRDCAOESDVKP-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)cc1OCC(F)(F)F	505561504	HUYBIQKMGDZKKQ-CYBMUJFWSA-N	409.301	5.442	30	20	HKED	
C[C@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)Nc1sc2c(c1C#N)CCC2	507255272	ZISVUOAYHJHMOU-VIFPVBQESA-N	418.494	5.095	30	20	HKED	
N#CCCCCN[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	507469737	RNAUZVPHDMBVJI-SFHVURJKSA-N	409.839	5.322	30	20	HKED	
CSc1cccc([C@H](NC(=O)N2CCC(C)(C#N)CC2)c2cc(F)ccc2F)c1	508347605	YSCRCYKGKMXUMI-FQEVSTJZSA-N	415.509	5.111	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(C)nc3ccc(Br)cc23)s1	508751900	ACFWTSZZGXMHNJ-UHFFFAOYSA-N	400.301	5.054	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1F	510506981	CMHQDAOTDQFGPT-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
C=CCn1c(SCc2cnc(C)cn2)nc2scc(-c3ccc(C)cc3)c2c1=O	511059091	XENQAHTVMMPHGA-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
CC(C)(C)O[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1	513803037	YPCYVEURRGGMMI-FQEVSTJZSA-N	405.523	5.100	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1Cl	513933870	NRMAPICSHNJGPU-UHFFFAOYSA-N	415.280	5.418	30	20	HKED	
CCCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nc(C)c1C	514365776	VEJWLQUWCBXWEC-FQEVSTJZSA-N	412.603	5.344	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC4CC4)cc3)n2)cc1	517800972	TYEODPLOSZNGKQ-FQEVSTJZSA-N	404.491	5.098	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(C3(c4ccccc4)CCOCC3)no2)c2ccccc21	518006289	INMCVDWBEAQPQT-VAWYXSNFSA-N	424.504	5.205	30	20	HKED	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518906118	XWNXKQRSEXLCAR-FQEVSTJZSA-N	401.466	5.091	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccccc1OC(F)F	519449133	WIWWKWCXOQZEPP-KBPBESRZSA-N	405.470	5.422	30	20	HKED	
O=C(CCc1nc2cc(Cl)ccc2s1)NCC#Cc1cccc(C(F)(F)F)c1	520204309	RCHFJBXZACGCDW-UHFFFAOYSA-N	422.859	5.069	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CCc3cc(C)ccc32)cc1OC	521830848	ZPIHZXJHIIQUOL-LJQANCHMSA-N	402.332	5.108	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1	522584767	PMCDQCITPWMBPG-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)CC1	523518263	UIZPRBAXJTXGFY-UHFFFAOYSA-N	421.541	5.087	30	20	HKED	
CCN(CCC(=O)Nc1sccc1C#N)[C@H](c1ccccc1)c1ccc(F)cc1	533063738	OTTSPKDPORKWKD-JOCHJYFZSA-N	407.514	5.199	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1NC(=O)c1cccs1	535331716	GTDPEMLACAHFHD-UHFFFAOYSA-N	403.507	5.362	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC2CCC3(CC2)C(=O)Nc2ccccc23)cc1	537012139	GCNNOYBROQSDEI-UHFFFAOYSA-N	407.517	5.148	30	20	HKED	
COc1ccccc1Nc1nc2sc(C(=O)N(C)c3cccc(C#N)c3)cc2s1	540495951	DHJAJKFMDSDFPU-UHFFFAOYSA-N	420.519	5.258	30	20	HKED	
C[C@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	540592225	WMZIQGIOOWIVTH-HJPURHCSSA-N	424.953	5.055	30	20	HKED	
Cc1nccc(NCc2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)n1	541731589	JMNVFFWUBMORFB-MRXNPFEDSA-N	417.538	5.044	30	20	HKED	
CN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	544037011	RCUFQUZKHSVHBF-SFHVURJKSA-N	414.349	5.272	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccco1	546245690	LVMVZGIRDAPMPO-UHFFFAOYSA-N	407.499	5.019	30	20	HKED	
N#CCCC[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1	551599567	ZXDPYGYJSCQHRL-MRXNPFEDSA-N	424.715	5.137	30	20	HKED	
COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1OC	553291060	XUMFOYKJCUTJEN-UHFFFAOYSA-N	424.444	5.289	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3CCC(F)(F)F)cc2)ccn1	564138506	VTQZIQMXPNQCLE-UHFFFAOYSA-N	411.383	5.493	30	20	HKED	
Cc1cc(-c2noc([C@H](C)Nc3ccc(Oc4ccnc(C#N)c4)cc3)n2)ccc1F	564559754	QLTPBYSXLVUXCB-HNNXBMFYSA-N	415.428	5.416	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3Oc3ccncc3)cc2)ccn1	569162383	LHZDPYZUJKBBCT-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCC#Cc1cccc(F)c1	578146553	WLODPZPPGKAXNV-UHFFFAOYSA-N	408.476	5.060	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1	579255119	OGROVWFJPMJCSC-UHFFFAOYSA-N	413.496	5.215	30	20	HKED	
COC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1	588996146	YKUDMCWBCXFKRY-KSSFIOAISA-N	403.935	5.243	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)cc1	589145233	JVVGESNIZNMCIG-UHFFFAOYSA-N	415.280	5.026	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1	603972446	OFTSHZJDLGFBHQ-UHFFFAOYSA-N	422.488	5.474	30	20	HKED	
N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1	609068818	SGRXSMSDSHZLMH-UHFFFAOYSA-N	414.486	5.091	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccccc2)c1	609378583	QEWURIKFMMLGEU-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CC(F)(F)F)c1ccccc1	609438557	KCGUBQJNSFWPHE-RHSMWYFYSA-N	407.461	5.896	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	609694670	WXYQZXAQOWYWRA-IRXDYDNUSA-N	405.404	5.074	30	20	HKED	
N#CCCn1ccc(NC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1	609789401	RXQQFDDPXLFRCM-IBGZPJMESA-N	414.893	5.061	30	20	HKED	
COC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1Cl	609818276	NKENNZOKVXCPBE-UHFFFAOYSA-N	420.852	5.237	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609927828	DFOMQKNFXASCGH-LPHOPBHVSA-N	416.456	5.295	30	20	HKED	
CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	610007352	LHMIXPXBTCLCHR-CYBMUJFWSA-N	422.428	5.095	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Nc1ccc(COC2CCCC2)cc1	610097544	IURHWYNKTKNLLI-UHFFFAOYSA-N	409.555	5.072	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1	619343000	ZHTPXTGMCPJBGO-JOCHJYFZSA-N	423.944	5.523	30	20	HKED	
O=C(Cc1ccc(C(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642158319	QNTIHWONWNWULF-VXGBXAGGSA-N	421.303	5.274	30	20	HKED	
O=C(NC[C@@H]1CCCC(F)(F)C1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	669664684	GOOVCTXKSLYTPZ-GMTAPVOTSA-N	410.349	5.021	30	20	HKED	
CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	679353605	GBZAUWQSQZTOMX-GHMZBOCLSA-N	416.337	5.208	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(OCc2ccccn2)c1	726470270	UFLNLNRIRQOHHU-OAHLLOKOSA-N	422.941	5.233	30	20	HKED	
CSc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1	726626509	HUHBJKZNSNETSA-LZYBPNLTSA-N	402.953	5.339	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1	727589050	FZCCXRYNEUWJSN-BKMJKUGQSA-N	409.533	6.144	30	20	HKED	
CCn1c(C)cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1C	728312012	HZGKQUYMSBBNFE-IUXPMGMMSA-N	401.944	5.056	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c1	728482386	JGNULICBZYRRTN-ZPHPHTNESA-N	404.469	5.573	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cc2ccccc2nc1N1CCOCC1	730435043	WEXQVLFYRYDKEB-MDZDMXLPSA-N	421.566	5.030	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc2ccc(Cl)cc2[nH]1	732545137	WKIPGKBSIOUVNZ-AWEZNQCLSA-N	400.869	5.246	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C)[C@H](c2ccccc2)C(C)C)c1=S	732978972	AKWWQNRBFJYPKI-QFIPXVFZSA-N	422.598	5.562	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc3ccccc3c2Cl)ccc1OC	733230213	LRYLUAIYYJPWCG-AWEZNQCLSA-N	414.914	5.174	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(OC3CCCCC3)cc2)c1	733847522	OXSOLVLUXWEBBI-NRFANRHFSA-N	421.541	5.078	30	20	HKED	
C=CC[C@@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccncc1	734510181	SMIXUIUEBQORSA-SJORKVTESA-N	404.354	5.361	30	20	HKED	
CSc1ccc(C(=O)/C=C\c2ccc(OCc3occc3C(=O)O)cc2)cc1F	741846818	INZFDMONAHVDIF-YWEYNIOJSA-N	412.438	5.314	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cnc(-c4ccccc4)[nH]3)c12	742431296	GUFUPSCVSMTBQY-YPKPFQOOSA-N	407.477	5.070	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	742962482	NJSDGDRGJKZDEA-UHFFFAOYSA-N	403.438	5.358	30	20	HKED	
COc1cccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2Cl)c1	743102162	DFJXVCGXCCPWBO-QFIPXVFZSA-N	421.884	5.162	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F	744025441	MJTYSTOMXCIYGY-WBMJQRKESA-N	408.807	5.200	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl)c1ccncc1	745827754	NECUFBJHDXIBAS-GOTSBHOMSA-N	421.928	5.450	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1cccc(Br)c1	749372862	BVUAGUHKHCAJKM-CYBMUJFWSA-N	405.704	5.312	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1ccc([C@@H](C)O)cc1)c1ccc(C(F)(F)F)cc1	750296160	YFPMFBRDRLEBPU-FOIQADDNSA-N	406.448	5.265	30	20	HKED	
COc1ccc([C@@H]2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1	750300549	CTMXGOCYZYXKSG-RDGATRHJSA-N	411.505	5.372	30	20	HKED	
C[C@@H](C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)s1	750548916	QRKKDXOCXOZKNT-CHWSQXEVSA-N	422.959	5.081	30	20	HKED	
N#C[C@@H](C(=O)[C@H](c1ccccc1)n1cccn1)c1nc(-c2ccc(Cl)cc2)cs1	750668181	PAIVLXUWYUEZGD-ICSRJNTNSA-N	418.909	5.126	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1	751141564	GIXUMXBMAXYGPV-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1	751232447	HRZJEPYJQQUYHB-HSZRJFAPSA-N	420.472	5.522	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccc(Cl)nc1	759032453	FFUIQBCMTVFTNE-CLTKARDFSA-N	411.836	5.411	30	20	HKED	
CC(C)(C)c1ncc(/C=C2\COC/C(=C\c3cnc(C(C)(C)C)s3)C2=O)s1	759611494	GCVSIYKCNTUROZ-FNCQTZNRSA-N	402.585	5.261	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC3CCC4(CC3)C(=O)Nc3ccccc34)c2)s1	766113647	QMOXZUPVNFQFFH-UHFFFAOYSA-N	413.546	5.209	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1	767190358	LIWIRNFCABRQSH-OAQYLSRUSA-N	416.594	5.055	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1	772638625	ARJWYFMOMQLWBM-OAQYLSRUSA-N	406.526	5.136	30	20	HKED	
COc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1	776162405	HJBZWTHMSBTWMB-AVRWGWEMSA-N	420.940	6.000	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1	776904356	SZKFEIYSBWNIFP-YADHBBJMSA-N	423.438	5.810	30	20	HKED	
COc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1Cc1ccccc1	780467533	BGUKALUBDMNFFN-QGZVFWFLSA-N	401.466	5.221	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccc(C)cc2)cc1	780671226	VMIUOFVNSLEAIB-HOYKHHGWSA-N	415.493	5.206	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	780675198	AJXJGECWJKLCQI-AWEZNQCLSA-N	424.888	5.184	30	20	HKED	
Cc1ccc(-n2c(-c3cccs3)nn(CN3CCC(CC#N)CC3)c2=S)cc1	781572988	YKTBIWKDGFULKR-UHFFFAOYSA-N	409.584	5.023	30	20	HKED	
O=C1/C(=C\c2scnc2C2CC2)CN(CC2CC2)C/C1=C/c1scnc1C1CC1	782326223	FREVXTQIUIUNDO-MZAUSLISSA-N	423.607	5.116	30	20	HKED	
N#C[C@H](C(=O)CCCCC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	783354449	CLFMOHXOYKMVFW-LJQANCHMSA-N	422.937	6.083	30	20	HKED	
CC(C)Oc1ccc(N[C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1C#N	783589025	GNELKEODNKZVPU-CQSZACIVSA-N	405.420	5.193	30	20	HKED	
O=C(/C=C\c1ncc(C(F)(F)F)s1)c1c[nH]c2cc(Br)ccc12	788355002	KPVBSDLEYYSVAF-ARJAWSKDSA-N	401.207	5.302	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C2CCC2)cc1	791771117	JNPVTCCUEODNAY-QFIPXVFZSA-N	410.473	5.708	30	20	HKED	
Cc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)ccc1N1CCSCC1	794257910	OSHHHRGKFONDGK-UHFFFAOYSA-N	407.564	5.195	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c(C)cc(C)cc2O)cs1	799895019	JGTIVKYBWMSIQL-TWGQIWQCSA-N	410.470	5.185	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1Br	813218210	TXLNQTTUIXNKQU-LBPRGKRZSA-N	411.221	5.017	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12	914519059	ZXIYOYWIEMFVAN-UHFFFAOYSA-N	420.516	5.467	30	20	HKED	
CCCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	915870755	PVAKHMQXZVKBFW-UHFFFAOYSA-N	406.448	6.257	30	20	HKED	
COc1cc(C(C)=NNc2nc(Cl)c(Cl)cc2Cl)ccc1OC(F)F	916318656	WRHPFYHEEAPLKG-UHFFFAOYSA-N	410.635	5.488	30	20	HKED	
O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1ccc(Oc2ccccc2)c(F)c1	917144149	AGCVTAXUKQWBDA-YFHOEESVSA-N	403.388	5.234	30	20	HKED	
C=CCN(Cn1nc(-c2cccnc2)n(-c2ccccc2C(C)C)c1=S)C(C)C	917483390	RSIJJPIIMGPCLE-UHFFFAOYSA-N	407.587	5.443	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1oc2c(C)ccc(C)c2c1C	920109032	MMHMWZBKMBGJMF-OAHLLOKOSA-N	424.884	5.290	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@H](c2ccccc2)O1	920234896	MFMZMHKTRKLPET-BTZRARBUSA-N	411.505	5.336	30	20	HKED	
CC1(C#N)CCN(c2nnc(CCOc3ccccc3)n2CCCC2CCCC2)CC1	1288988064	PBPPUYULBBRCLS-UHFFFAOYSA-N	421.589	5.000	30	20	HKED	
Oc1nc2cc(F)ccc2cc1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	1473928632	XOLWJZWHRYKTKL-VXGBXAGGSA-N	410.333	5.079	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)C[C@H]4C)CCC3)cc2)c1	1792125380	XRQMOIDUMCKWHL-QJMRKGMQSA-N	415.537	5.107	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)s3)CC2)C1	1804858349	CBZWSQUGMDZQHL-UHFFFAOYSA-N	423.022	5.239	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1819309693	GDUDGGWDEQCPKF-ICSRJNTNSA-N	412.578	5.141	30	20	HKED	
Cc1ccccc1-n1c(SC[C@H](C#N)CCC#N)nnc1-c1ccc(Cl)cc1	7033523	NIEKTHAWSFHKGJ-INIZCTEOSA-N	407.930	5.432	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccccc2F)n(Cc2ccc(F)cc2)c1C	16663719	MQIVESZIZNJYJP-UHFFFAOYSA-N	411.477	5.034	30	20	HKED	
Cc1ccc(-c2csc3ncnc(N/N=C4\C(O)=Nc5ccc(Cl)cc54)c23)cc1	19331312	OMMLMAVQKLAFGQ-UHFFFAOYSA-N	419.897	5.738	30	20	HKED	
O/C(CCSc1ccc(F)cc1)=N\c1nc(-c2ccc(Br)cc2)n[nH]1	63497621	SGIQSMPBTRJDOB-UHFFFAOYSA-N	421.295	5.144	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1oc2ccccc2c1CSc1ncccn1	63501794	QVUNPHDTTWYSBF-UHFFFAOYSA-N	421.547	5.405	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1	65870153	QQKUSCBNCRNQTK-UHFFFAOYSA-N	411.505	5.124	30	20	HKED	
C[C@H](NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Cl)cc1	108347921	AXWOPKGMJBOVIT-KRWDZBQOSA-N	419.912	5.080	30	20	HKED	
N#Cc1nc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)ccc1Cl	301539071	NMVABAPWWXTZOL-UHFFFAOYSA-N	419.780	5.081	30	20	HKED	
C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccccc1-c1ccccc1C#N	303577428	ZPORXFOWEDIHEZ-OSPHWJPCSA-N	416.908	5.481	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccnn1Cc1ccc(F)cc1	429564086	CPAGPBZSEQGWQT-UHFFFAOYSA-N	404.898	5.006	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccc(Oc2ccccc2)nc1)c1ccccc1	431872667	UTBBQTHSVZFTLO-QFIPXVFZSA-N	400.482	5.108	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl	432586932	GWSZBLBISNOLSU-GOSISDBHSA-N	407.341	5.700	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2cc(C#N)oc2C)c2ccc(C(F)(F)F)cc2)cc1	436058115	JXAMMGQLLCOPHZ-FQEVSTJZSA-N	414.383	5.007	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1F	437471819	JYOJDDFAFYNBAT-UHFFFAOYSA-N	415.424	5.090	30	20	HKED	
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	437544877	FVGRVJLZFNKDGZ-MJGOQNOKSA-N	416.447	5.075	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](COCc2ccccc2)C1	438048098	IMVNBZNUUABGCZ-UYAOXDASSA-N	409.555	5.151	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)cc1	438149935	VIEKTKGIFKVFMS-UHFFFAOYSA-N	404.457	5.514	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ncc2cc(C#N)ccc2n1	439086039	OZPVYRUEEUGAAZ-UHFFFAOYSA-N	424.247	5.024	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	439111091	LGJZDDIZXHNTQI-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccco1)c1cccc(C#N)c1	442905549	ZXMKOXGPTVDQRP-HNNXBMFYSA-N	404.470	5.450	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc2c(cc1Br)CCC2	446430694	XLUMYGDHPHFEMT-GHTZIAJQSA-N	424.342	5.241	30	20	HKED	
N#CCCCOc1cccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1	446849244	XILMQWRPSBJAHW-UHFFFAOYSA-N	418.459	5.183	30	20	HKED	
CCC(CC)c1cc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)on1	460326559	SSZOCRBRZRHULM-UHFFFAOYSA-N	403.482	5.367	30	20	HKED	
CN(C(=O)NCc1cc(F)c(C(F)(F)F)cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1	461420544	GRFXNDFVOAHTON-PHIMTYICSA-N	418.328	5.246	30	20	HKED	
C=CCn1c(SCc2nc(C)cs2)nc2scc(-c3cccs3)c2c1=O	461544721	LQQSFHLDTJNFAU-UHFFFAOYSA-N	417.606	5.430	30	20	HKED	
Cc1sc([C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	462175703	MMBCFCBKZXAXOV-KGLIPLIRSA-N	409.942	5.625	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc(F)c3Cl)cc2Cl)c1	463481903	QICGHTNZJULIBT-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
CN(CCOCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	465246197	IRBGLDRVOHKRPM-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
COc1cc([C@H](C)NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1OC(C)C	465605135	QVXNPPYMNZQVRI-NYVOZVTQSA-N	421.541	5.025	30	20	HKED	
CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ncccc1OCCCC#N	466598778	JLEMUFRPEQTFNH-LJQANCHMSA-N	400.910	5.279	30	20	HKED	
N#C[C@H]1N(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CCC[C@]12CCCCO2	468657918	DZUAHJHVHKOIRW-FYYLOGMGSA-N	410.901	5.200	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccncc4)cc3F)ccc21	468823831	FLDWSGGTRQDSRO-UHFFFAOYSA-N	414.484	5.083	30	20	HKED	
C[C@H](O)C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	469691302	DERLMKZJLOTEDN-RXVVDRJESA-N	415.493	5.027	30	20	HKED	
CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	470659184	DEAUWDQDRCSPME-UHFFFAOYSA-N	416.428	5.049	30	20	HKED	
C=CCN(C(=O)CCc1c[nH]c2ccc(C)cc12)c1nc(-c2ccccc2)cs1	470836140	MXEPFDANVOHZDE-UHFFFAOYSA-N	401.535	5.752	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCCO)[C@H]1CCCc2ccccc21	475559401	DCXLQONBIMTEDO-DEOSSOPVSA-N	406.570	5.832	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1	476335996	VHLKRSBAZLFHHV-UHFFFAOYSA-N	400.444	5.526	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(F)c3)o2)nnc1-c1ccccc1F	476502615	FBKAJUUVLAFDLB-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
COCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(C)o1	477512613	TXCDAZXPGUKFSS-HXUWFJFHSA-N	405.454	5.151	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](c2ccco2)C1	479969782	WBUNRUUWRZEXIO-BEFAXECRSA-N	406.511	5.204	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	480356665	OVNCIFKQUTWWRY-PSASIEDQSA-N	418.309	5.084	30	20	HKED	
CCN(C(=O)c1sc(-c2ccc(F)c(F)c2)nc1C)c1ccc(C#N)c(Cl)c1	480851560	BDBIAEXYYKKINX-UHFFFAOYSA-N	417.868	5.589	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H]1CCc2ccc(F)cc21	481378088	SCJQEVDTQIOAQX-KUHUBIRLSA-N	400.544	5.579	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F	482403598	IPWDWHOXNVZWGJ-IBGZPJMESA-N	401.388	5.162	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)n1	482523272	FVSLLYVUUQKSIZ-HNNXBMFYSA-N	410.539	5.159	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cc(Br)ccc1Br)c1ccccc1	483268368	ORHDSYJADNSDHH-CYBMUJFWSA-N	422.120	5.238	30	20	HKED	
COCc1cccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	488685796	OJAATOILXIKGNE-QFIPXVFZSA-N	404.897	5.323	30	20	HKED	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	497481398	QOGLFRCZICMLOP-IBGZPJMESA-N	405.420	5.360	30	20	HKED	
C=CCN(C(=O)c1sc(-c2ccccc2)nc1C)c1nc(-c2ccccc2)cs1	500301568	GSWLHNPAQYRVDB-UHFFFAOYSA-N	417.559	6.075	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C	500315275	GWQPREPQUVHFAE-UHFFFAOYSA-N	403.551	5.212	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	502792807	RIITUKRMBQEYKS-STZQEDGTSA-N	417.578	5.340	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1	504094844	VJLMRJMATIWSEE-OAQYLSRUSA-N	413.477	5.200	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ncccc2-c2ccccc2)cc1	504556494	UJFABXWQPWVZFJ-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(C)[C@H](C)CC#N)cc12	505148933	OBFJTMQIOQYOHB-LLVKDONJSA-N	421.353	5.136	30	20	HKED	
N#Cc1cnn(-c2ccccc2)c1NC(=O)CSC(c1ccccc1)c1ccccc1	506619589	XGNYTINPGJJZOH-UHFFFAOYSA-N	424.529	5.205	30	20	HKED	
CC(C)c1ccc(Sc2ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc2)cc1	510975943	IEDWPXFAJNNZFQ-UHFFFAOYSA-N	423.582	5.346	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)ccc1OC	512853005	ZEQHQTYGQOAHMP-IBGZPJMESA-N	410.341	5.170	30	20	HKED	
Cn1cc(CNc2ccnc(Oc3ccc(F)cc3F)c2)c(-c2ccc(C#N)cc2)n1	515564622	BORZSOKNRYXJID-UHFFFAOYSA-N	417.419	5.036	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(s3)CC[C@H](C)C4)n2)cc1	516269989	IKCFWLLTTYKTQK-SUMWQHHRSA-N	408.548	5.495	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1nc(-c2ccncc2)cs1	516331129	FOXZFUMPELHBEG-MRXNPFEDSA-N	421.934	6.077	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	517441185	QGIFSQATOZYQBU-UHFFFAOYSA-N	416.506	5.589	30	20	HKED	
N#Cc1cccc(COc2cccc(N[C@@H]3CCN(c4ccccc4Cl)C3=O)c2)c1	518977227	ZZBBZZHGKHMUSY-JOCHJYFZSA-N	417.896	5.008	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(-c2ccccc2F)n1	520408786	QUTDYIGKJZVJKS-UHFFFAOYSA-N	403.438	5.261	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCC1(F)F	521118223	LISZBRFFPFBQOV-CQSZACIVSA-N	419.859	5.300	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OC(C)C	521783542	UZWPYGMGNMNMKW-LJQANCHMSA-N	423.557	5.283	30	20	HKED	
CCc1nc(CSCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cs1	522630527	QIEWNVQIDGZYNY-UHFFFAOYSA-N	410.564	5.598	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2cc(F)ccc2o1	522722610	AMNMQOVASVCSCC-UHFFFAOYSA-N	400.409	5.583	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1NC(=O)NC(C)(C)C	524911223	LRTWLQFAMPUROJ-OAHLLOKOSA-N	406.511	5.015	30	20	HKED	
Cc1sc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)c(C#N)c1C	525518596	GNNVHSCYHDXOQP-UHFFFAOYSA-N	418.305	5.983	30	20	HKED	
C=CCC[C@H](Nc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(C(F)(F)F)cc1	533545128	YXZYWKVIQLRJHO-INIZCTEOSA-N	419.451	5.425	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3scnc3C3CC3)cc2Cl)c1	534071452	OQZJXIRNDCSTGH-UHFFFAOYSA-N	409.898	5.377	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1	535419268	XXLXCOTZEXKBGV-UHFFFAOYSA-N	418.403	5.203	30	20	HKED	
CN(Cc1ccccc1NCc1ccc(C#N)s1)C(=O)c1cc2ccccc2o1	536097952	HHVNXJYPCWDRHO-UHFFFAOYSA-N	401.491	5.250	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(Cc2cccnc2)CC1	538893838	LEYSRGIGKHXDOU-UHFFFAOYSA-N	413.546	5.199	30	20	HKED	
N#Cc1cccc(-c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)c1	546320769	ONTDQEBGYJVGPL-UHFFFAOYSA-N	420.472	5.065	30	20	HKED	
Cc1ccc(C2(CNCc3cn(CCC#N)nc3-c3ccncc3)CCCC2)c(C)c1	549923881	NGJZBJOXPDLLAQ-UHFFFAOYSA-N	413.569	5.077	30	20	HKED	
CC(C)(C)N1CC[C@@H](NCCCC2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1	558894373	IOTXRTKFGAXWCN-RTWAWAEBSA-N	421.988	5.083	30	20	HKED	
O=C(NCC1(C(F)(F)F)CC1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	561919188	XPPGJEKBXHDXBF-LLVKDONJSA-N	422.291	5.341	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N(C)[C@@H](C)c1cccs1	565509116	QBSPAYGLVXCJAP-HNNXBMFYSA-N	400.573	5.024	30	20	HKED	
C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	566787530	DCKAFBGKPSPIJB-CYBMUJFWSA-N	402.325	5.946	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1	576434727	LHUBMWXVAJGOOO-VGSWGCGISA-N	422.504	5.093	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)nc2ccccc12	576738969	LXYCWCRKVSZTAK-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1cnccc1C#N	579282744	XKIQXCROSABGMK-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(-c2ccccc2)cs1	589244916	UZCZVHWTGPQENS-KRWDZBQOSA-N	419.506	5.487	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1	603705686	CJMBPRCBRSLHSB-JPYJTQIMSA-N	419.569	5.453	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(COc2ccccc2C#N)o1	609263215	LGLBURGIQPMUPB-OAQYLSRUSA-N	416.477	5.106	30	20	HKED	
CSCc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)oc2ccccc12	609414091	IGPYIGKGORBPSS-HNNXBMFYSA-N	405.306	5.597	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1	609435136	RQDXREMKFRQCCP-OAHLLOKOSA-N	424.501	5.239	30	20	HKED	
N#Cc1ccc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)nc1	609503425	BNDDZTYIIMOTTJ-UHFFFAOYSA-N	403.438	5.138	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CNc1cccc(Cl)c1	609622514	MWMONKXKCFWIMH-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cccnc3Oc3ccccc3)c2)c1	609642033	OUOBPKAIVGLELB-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#CCCn1cc(CNc2ccc(-c3ncc4n3CCCC4)cc2)c(-c2ccccc2)n1	610910275	UJIXGXLWTXIXQM-UHFFFAOYSA-N	422.536	5.276	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1	611467278	WYUXQMXZJQDAJD-UHFFFAOYSA-N	410.477	5.110	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3C)n2Cc2ccco2)cc1	614401807	IMMUNGMEAPIAFX-UHFFFAOYSA-N	400.507	5.367	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc1	616096756	RUEQVJYLBVIKNV-NRFANRHFSA-N	404.901	5.363	30	20	HKED	
C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	674443953	FMXJAYWRHPLIDU-OASPWFOLSA-N	421.303	5.398	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1F	677781574	ZZEKHCOYSJBZGZ-BQBZGAKWSA-N	410.692	5.131	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1Cl)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	680491025	RSFOASPPNZTVPN-HTQZYQBOSA-N	410.692	5.482	30	20	HKED	
Cc1ccc(F)c(CN(C)C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	683536677	GLAJVZYXAZNKLI-STQMWFEESA-N	414.365	5.185	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=S)Nc3ccc(C#N)c(Cl)c3)s2)cs1	726450292	FEZWVVGRFKPEME-UHFFFAOYSA-N	419.000	5.234	30	20	HKED	
CC[C@@H](Oc1ccccc1C(C)C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	730070852	BVDNIGDNJOIPKS-QFBILLFUSA-N	411.452	5.589	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2ccccc2o1	730398802	NVMKMSUSWDZQCV-AVRDEDQJSA-N	402.450	5.677	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1F	731411044	QFDBYFMSLBKTMR-NHYWBVRUSA-N	419.308	6.236	30	20	HKED	
N#C[C@@H](C(=O)/C=C\C1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	732707645	CKMJAIMFCPVFDJ-RTNQIJGDSA-N	407.322	5.276	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)cc1	733084198	XQHBDILLRQTEMM-HJWRWDBZSA-N	404.369	5.633	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc1	733679519	JOXSBWMYQCYCQZ-SUNYJGFJSA-N	416.880	5.107	30	20	HKED	
C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(NC(=O)c2ccncc2)cc1	733750239	QSXGYAWRJDGFGE-XIXVAHAYSA-N	414.292	5.526	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccc2ccccc2n1	744936614	UVYRODUNJKNDSN-PXDATVDWSA-N	412.876	5.885	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)n1	747193842	QSPJPQXACREXMJ-ZDUSSCGKSA-N	403.479	5.243	30	20	HKED	
N#CCOc1cccc(/C=C2\C(=O)/C(=C/c3cccc(OCC#N)c3)CC[C@@H]2C2CC2)c1	749005992	PEJVNDGOABFJNE-XFGZATFBSA-N	424.500	5.347	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	752214568	VGDRYEJSPDMNNX-QRWLVFNGSA-N	407.495	5.046	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)c3ccc(F)cc3F)n2)cc1	752483292	LUMUEHJSGHGNLB-ACJLOTCBSA-N	412.461	5.467	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1OC(F)F	753390605	QUUBITQJHFZIOJ-MOJYJUKOSA-N	408.404	5.073	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1	754876340	LARMOLQRPRGZRP-QHCPKHFHSA-N	423.903	6.310	30	20	HKED	
CO[C@@](C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1F	759442622	ZSDCUVSWYAWVTA-CWTRNNRKSA-N	422.403	5.192	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCc1cccc(C(F)(F)F)c1	770843023	NBHRIGKLTAAMQZ-SFHVURJKSA-N	412.411	5.410	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccnc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	771260684	JOZJRUIORGHCSJ-JWPFQLSCSA-N	407.804	5.253	30	20	HKED	
Cc1ccc(C(=O)OC[C@@H](C#N)Cc2cccs2)cc1NC(=O)Nc1ccccc1	772732326	FCUBSUBXVPHFHH-QGZVFWFLSA-N	419.506	5.240	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1O	776012024	WGSFIHQBVBKRHF-SFHVURJKSA-N	410.477	5.077	30	20	HKED	
CCOc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Br	777480099	HAYQKXAWGPEZIU-UHFFFAOYSA-N	410.724	5.182	30	20	HKED	
C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1	779712567	JIQBDAZJUSUPGT-NHCUHLMSSA-N	413.521	5.007	30	20	HKED	
C[C@H](C#N)Oc1ccccc1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	779713175	QHUGFUZRUAZNEL-VXGBXAGGSA-N	403.269	5.507	30	20	HKED	
O=C(O[C@H]([C@H]1CCCOC1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	789643611	CINQGIZIEJJLKT-QPUJVOFHSA-N	424.259	5.239	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccccc1COc1cccc(C=O)c1	789887372	CFZNHFIQAOHHKZ-UHFFFAOYSA-N	413.517	6.182	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1	793324868	NEAMKLXDPVPTNO-DENIHFKCSA-N	411.505	5.204	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)sc2ccc(C#N)cc12	796775367	QQINSJAVIQMSSE-MRXNPFEDSA-N	400.488	5.090	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCc1ccc(C#N)c(Cl)c1	801641624	HIHQAAWLCGTMRU-UHFFFAOYSA-N	414.893	5.189	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc2c1COC2=O)c1ccc(C(F)(F)F)cc1	808911781	DGLQMGDCHQNSIJ-KRWDZBQOSA-N	404.388	5.205	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915352463	IOPSFQWJQSKNBZ-WZONZLPQSA-N	409.489	6.313	30	20	HKED	
CCCc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1CC	916927877	PVVKHDJBSWJJAJ-CYBMUJFWSA-N	409.338	5.531	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C3SCCS3)cc2)cc1	916948827	YFWPDWFBBNFHMT-FOIQADDNSA-N	424.591	5.640	30	20	HKED	
COc1ccc(CCCN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	918548052	JAOLBMYTXKRKHC-VWLOTQADSA-N	413.521	5.447	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)cc1	920068162	KVSYKGDIZBJCRZ-DAXSKMNVSA-N	407.520	5.080	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CSc1cc(Cl)ccc1Cl	920106535	RINQDJIPFZRJON-CQSZACIVSA-N	417.317	5.467	30	20	HKED	
Fc1cc(F)cc(NN=Cc2cc(Br)ccc2OCc2ccccn2)c1	920374640	GRXHPDGBKKPBGK-UHFFFAOYSA-N	418.241	5.147	30	20	HKED	
Cc1ccc(CCn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)c(C)c1	1761770122	SBGLIWKASGMQQX-VWLOTQADSA-N	405.590	5.000	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ccccc34)cc2)CCC1	1788891109	VSNMVGYXBUBXIZ-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccccn3)CCC2)cc1	1789455459	UJCWWWQKTMLHLY-SIKLNZKXSA-N	417.553	5.088	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1828821687	PXDIHVFWGMUWJX-VQTJNVASSA-N	424.576	5.056	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1	1829066589	KVYHAFMYKQVXOC-CEMLEFRQSA-N	402.623	5.035	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2F)CC1	1829068230	LLSDPGWVZFHJBH-IBGZPJMESA-N	420.594	5.113	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)CCCCC)CC1	1831464748	FBOCIIPOQNINMP-UYAOXDASSA-N	412.565	5.034	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)CC1	1832889948	WYJLHBIVGDJRIC-OFVILXPXSA-N	422.613	5.178	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccco3)n2)nc2sc(C)c(C)c2c1=O	25514383	HQHBAWUHNZEWAK-UHFFFAOYSA-N	415.565	5.270	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cccc1[N+](=O)[O-]	59281305	KTUBEIGOZRXBME-LJQANCHMSA-N	405.841	5.464	30	20	HKED	
Cc1ccc([C@@H](NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)c2cccs2)cc1	60208184	CTKZTVHNXMPZLF-RUZDIDTESA-N	417.578	5.044	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](C(F)(F)F)C1	102193290	MUWMTTCKIJXEDC-BYCRGOAPSA-N	419.287	5.538	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1ccoc1C	109379698	ZJHNUXGZMRLXTE-UHFFFAOYSA-N	404.495	5.512	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(Cl)ccc2Br)cc1C(F)(F)F	323047091	DTQPXELUGAXSFE-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1	410355478	UHJZQUAOSLZQLT-UHFFFAOYSA-N	405.519	5.031	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccccc1OCc1ccccc1)c1ccccc1	431806936	DQKJWMPNPYVWIT-XMMPIXPASA-N	413.521	5.500	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](OC(C)C)c1ccccc1	431968266	HYFSDQRPKPBUEC-QFIPXVFZSA-N	401.466	5.159	30	20	HKED	
N#CCCn1cc(CNc2cccc(CSC3CCCC3)c2)c(-c2ccncc2)n1	433338775	XJKPACUZBZAFFQ-UHFFFAOYSA-N	417.582	5.647	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1	436365462	PIXNAVJQJSJTLH-AOMKIAJQSA-N	414.477	5.038	30	20	HKED	
CC(C)[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCS1	437769839	FBZNRSYYPMQRIO-CTNGQTDRSA-N	413.974	5.601	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C	437931702	KURWVXPZCCEYCD-SXLOBPIMSA-N	413.587	5.111	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(N(C)C)nc2ccccc12	438042417	GDPDVXCXZLDVJF-INIZCTEOSA-N	419.554	5.017	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438651077	SYLLJLFPQWMOAS-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
C[C@H](c1ccccc1)n1c(SCC(=O)c2cccc(C#N)c2)nnc1-c1ccccc1	439047250	OXCPJVFVAINCKN-GOSISDBHSA-N	424.529	5.401	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc(C(F)(F)F)cc1	442287008	AMJNTVWSNTWYOI-MSOLQXFVSA-N	406.452	5.373	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	443886700	TVJGHNDMIYCBHV-UHFFFAOYSA-N	418.415	5.358	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N(CCC#N)CCCN(C)C)cc1	444429936	DDTZMEXFVUMONG-LJQANCHMSA-N	410.587	5.239	30	20	HKED	
COc1cccc(C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)c1	444456685	XARWJBJCZLEDCH-LJQANCHMSA-N	412.470	5.026	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	446493006	CZYKWEJSLSNLBA-RYUDHWBXSA-N	422.316	5.168	30	20	HKED	
CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	447859126	RZHKNDOKGZPIIB-HSZRJFAPSA-N	403.457	5.354	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	462389420	QWEDBVSRJQELJG-ZDUSSCGKSA-N	415.478	5.620	30	20	HKED	
C=CCOCCCC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	463173481	AXROPQVIECAFKJ-UHFFFAOYSA-N	418.371	5.059	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)s1	464413845	YDNOWCXFNDSTQT-OAHLLOKOSA-N	401.413	5.331	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(CC(F)(F)F)c3)o2)cc1	464420601	JHKIRPUUUVBJHP-UHFFFAOYSA-N	400.356	5.087	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2sc3c(c2C)CCCC3)cc1C	465115016	XFGVTBSYCPZVFD-UHFFFAOYSA-N	418.566	5.582	30	20	HKED	
CN(CCOCc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	465251485	HTYLAJWEWZWJSK-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
C=CCc1cc(CNC(=O)N(Cc2ccoc2)C2CCCCC2)cc(OC)c1OC	465825867	JGWQUSPEPAMFOK-UHFFFAOYSA-N	412.530	5.070	30	20	HKED	
Cc1nc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)sc1C	466967924	TVQLDNIQVXFMLH-UHFFFAOYSA-N	412.902	5.399	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(CSCc3ccccc3)c2)cc1	470956962	UTVOTYIUIUTVRC-HSZRJFAPSA-N	411.530	5.313	30	20	HKED	
CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	471191733	PWWDDUWOVYUNBL-DEOSSOPVSA-N	406.526	5.398	30	20	HKED	
Cc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cccc1C(F)(F)F	471832831	BCZCXTMOQBALLM-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
Cc1cc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(C(F)(F)F)o1	472379961	ILEJTCOQMHJVPO-NSHDSACASA-N	417.252	5.242	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2c(F)cccc2F)CC1	473681572	YVPYIJNSIIZSPI-OAHLLOKOSA-N	413.493	5.538	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1	475559877	GMAPZDBOPPIUPV-INIZCTEOSA-N	420.513	5.480	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1CCN(Cc2ccccc2)CC1	475564857	CHCMCFRGJXEZBR-UHFFFAOYSA-N	405.586	5.572	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1	475568096	CYPFWHCHSQNSJD-NRFANRHFSA-N	400.469	5.422	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1	475904119	XCFAQFRCNQXXIM-UHFFFAOYSA-N	413.506	5.049	30	20	HKED	
CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H](C)C1	476794951	OAVJLZTVWHXEOZ-FHZYATBESA-N	424.976	5.189	30	20	HKED	
Cc1nc([C@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)oc1-c1ccc(Cl)cc1	477273935	CNCMHXPTOQPGBP-KRWDZBQOSA-N	421.928	5.780	30	20	HKED	
C=CCOc1ccc(CNCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1	478223901	FEDWZPOXSOMDCU-UHFFFAOYSA-N	400.478	5.358	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)cs1	480115593	XCOOLBGCKOSYPX-HNNXBMFYSA-N	405.523	5.025	30	20	HKED	
C[C@@H](c1ccccc1)N(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CC1	480369771	WBQHSJDARJHAOE-HNNXBMFYSA-N	405.889	5.155	30	20	HKED	
CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	482125380	UXYIWLBDOMZEAW-FQEVSTJZSA-N	421.884	5.504	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@](C)(CC(=O)OC)c1cccc(F)c1	482211951	PCLFYVFIODDUSR-DEOSSOPVSA-N	412.505	5.278	30	20	HKED	
Cc1c([C@@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2ccccc12	484363319	UTRLVFPUSVNDPW-DOTOQJQBSA-N	407.539	5.282	30	20	HKED	
C[C@H]1CSCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	486953056	FAVNUYDJJXHMER-OAHLLOKOSA-N	415.946	5.007	30	20	HKED	
COc1ccccc1SCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	488437378	YVASYSLSLDMBAT-UHFFFAOYSA-N	420.509	5.340	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCCC[C@@H]1C=C)(C3)C2	488873170	SUXCJPVRLINJRH-RMGYPUCPSA-N	424.629	5.097	30	20	HKED	
N#C[C@@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nccc2ccccc12	490977296	XFVWZQGURJKIIR-JOCHJYFZSA-N	423.428	5.212	30	20	HKED	
Cc1c(O)nc(SCc2cc(C#N)ccc2Br)nc1-c1ccccc1	492058918	GILOJVAPELVAIY-UHFFFAOYSA-N	412.312	5.084	30	20	HKED	
Cc1nc(NC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)sc1SCC#N	503233676	JRXGMTVOZDMGCC-UHFFFAOYSA-N	403.573	5.018	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1Cl	505630179	ABDHYBLYHCHANF-KRWDZBQOSA-N	402.306	5.040	30	20	HKED	
O=C(Cc1cccc(OCC(F)(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509296418	ZPLUBHQKUOVTOV-MRXNPFEDSA-N	423.328	5.119	30	20	HKED	
Cc1ccc(OCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1	515505972	AXTLOPXOCHFZQO-UHFFFAOYSA-N	414.505	5.356	30	20	HKED	
CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1	518155894	OJGJUTDSTOHKIJ-VGOFRKELSA-N	423.582	5.171	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)sc2C)cc1	518239388	ANYMXACQSKJLOB-HNNXBMFYSA-N	422.575	6.379	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1	519450304	ZVCSYODVEVPCEV-XXBNENTESA-N	415.562	6.044	30	20	HKED	
CCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519988563	ZMHQVWJSFDYTRF-UHFFFAOYSA-N	414.465	5.021	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C[C@H](C)c1ccccc1)[C@@H](C)CO	520444375	YDURKRWYUMSRAT-FHWLQOOXSA-N	411.571	5.099	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	520727007	DVIKOIFKWJHDOV-UHFFFAOYSA-N	416.477	5.185	30	20	HKED	
N#Cc1c(NC(=O)CCCSc2ccc(Br)cc2)sc2c1CCC2	521720930	YNTFUEOMEXOVGJ-UHFFFAOYSA-N	421.385	5.382	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(OCc2ccccc2)cc1	522529816	FSYXNPPIAYMVIN-VIZSFHNOSA-N	418.443	5.028	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1	524198981	GJZONMBNVRGKHU-MWTRTKDXSA-N	404.539	5.057	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(Br)s1	524566424	UCAHURDFOJIZAW-GFCCVEGCSA-N	424.389	5.127	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1OCC1CCOCC1	525508527	VXCKBICPTDZFAL-UHFFFAOYSA-N	423.513	5.127	30	20	HKED	
C=C(C)[C@H](CC(=O)N(CC)[C@@H](c1cccnc1)c1csc2ccccc12)OCC	535212748	VXNFXMGLMVVSHX-URXFXBBRSA-N	408.567	5.606	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2ncccc2OCCCC#N)c1	538960605	KSEOCGILGLWBQU-UHFFFAOYSA-N	401.466	5.082	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccc(C)nc2)c1)c1ccc(C#N)c(Cl)c1	539175688	ZMPRBPWJELYTDQ-UHFFFAOYSA-N	405.885	5.161	30	20	HKED	
N#Cc1cccc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1F	539250417	VOXJHJOLHQOPSW-UHFFFAOYSA-N	418.447	5.039	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	541141387	YUAQOZJNDXFGDX-HNNXBMFYSA-N	421.312	5.077	30	20	HKED	
C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1	543515669	HHGGPLBTICCTIY-INIZCTEOSA-N	424.957	5.061	30	20	HKED	
C[C@@H](NC(=O)CCc1nc(C2CCCC2)no1)c1ccc(-c2cccc(C#N)c2)cc1	543857051	VNBLPOIXUWLQDP-QGZVFWFLSA-N	414.509	5.076	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1	544629090	FZHUMJMWIFSHDT-UHFFFAOYSA-N	410.692	5.626	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1	549307471	VWUACQNZIIVSTN-WDGBRCNXSA-N	418.537	5.007	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H](COCC)C1	549322134	RKLDATIXOBICMZ-WOJBJXKFSA-N	420.557	5.010	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)c1ccccc1Br	553119253	FXGGPIBIRIVOCO-UHFFFAOYSA-N	418.379	5.109	30	20	HKED	
Cc1ccc([C@H]2CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)cc1	553123380	AADOFLKYCGWMPH-FQEVSTJZSA-N	421.972	5.143	30	20	HKED	
CC[C@@H](NCc1ccc(Br)cc1C#N)c1nc(C(F)(F)F)cs1	553917795	BTNABGRGXBAOOJ-GFCCVEGCSA-N	404.255	5.037	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)c1	556136634	PYYRKSNTJFDWHZ-FQEVSTJZSA-N	415.331	5.773	30	20	HKED	
Cc1c(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)sc2ccc(C#N)cc12	556961023	GVHAJLKGKAMEPS-KRWDZBQOSA-N	406.511	5.099	30	20	HKED	
CC1(C(=O)N[C@@H]2CCCc3sccc32)CCN(c2ccc(Cl)cc2C#N)CC1	557612189	ZKIKCUGPFUTJTI-GOSISDBHSA-N	413.974	5.073	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OC1CCCC1	557728671	VCZQZRWQCARXTE-KRWDZBQOSA-N	409.555	5.724	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccccc1SC[C@H](C)C#N	558338943	IJHLTBWJADDCGP-UEXGIBASSA-N	423.582	5.952	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(OC)c(OC)c1	558339928	BIAVHONQAIMAGO-DOTOQJQBSA-N	413.543	5.371	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)CC1	558637856	ZXWOFVZILLSIQV-UHFFFAOYSA-N	424.932	5.146	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1	574228480	SHWBSDHSRYGAKM-JXFKEZNVSA-N	403.448	5.323	30	20	HKED	
Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(F)c(C#N)c1	574298393	FXKFDMJBEGLUBN-UHFFFAOYSA-N	422.769	5.022	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)s1	578056309	GXXZONDEOMTATO-OAHLLOKOSA-N	411.552	5.255	30	20	HKED	
N#C[C@H](C(=O)c1sccc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	591862600	XXGJOULCZIUVLK-CQSZACIVSA-N	419.358	6.546	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N(Cc2ccco2)c2ccccc2C#N)s1	603531182	DBHZXLSNXMMFNS-UHFFFAOYSA-N	419.531	5.421	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603691615	KKHGJMNQOKUMRG-UHFFFAOYSA-N	414.490	5.624	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	603754917	JODRKZXAEZARGY-OALUTQOASA-N	418.434	5.908	30	20	HKED	
Cc1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C(C)C)n1	604135817	VTLBQKKTUDROAL-GFCCVEGCSA-N	404.417	5.027	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)nc2ccccc21	607433271	ODOOCCWYFUCTDM-FQEVSTJZSA-N	424.504	5.548	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@H](C#N)CC(C)C)c3cnn(C(C)C)c3n2)c(C)s1	608820811	HCFDNVFSATZIST-MRXNPFEDSA-N	409.559	5.026	30	20	HKED	
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609061952	MJLHYGSPPYNOMC-LJQANCHMSA-N	400.478	5.160	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	609434298	QKYYXNBJPMYSHT-QGZVFWFLSA-N	401.466	5.584	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CCC2	609644366	OTAVIEANHQKDGR-JOCHJYFZSA-N	417.534	5.052	30	20	HKED	
COc1cc(C[S@](=O)CCCc2ccccc2)ccc1OCc1cccc(C#N)c1	609742971	GCFLJDJMMONPCP-SSEXGKCCSA-N	419.546	5.027	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1	609811285	XTIPSVPOUWSVTB-DYESRHJHSA-N	408.571	5.516	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1	610007526	GABJVDOTFIIUSL-KXBFYZLASA-N	402.560	6.043	30	20	HKED	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610015286	DDJUXGWKKWMSET-ICSRJNTNSA-N	412.493	5.464	30	20	HKED	
Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	610016700	MSEDAIJJSRXCEA-QGZVFWFLSA-N	419.550	5.454	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)sc2c1-c1ccccc1CC2	610172219	FMPBSDUAJXFHDV-JKSUJKDBSA-N	406.457	5.406	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)no1	610174770	BWLZRZFXJHUXJF-UHFFFAOYSA-N	420.538	5.583	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H]3c3cccc(F)c3)c2)cc1	611041912	SAKCLGRFFSZJDW-XMMPIXPASA-N	415.468	5.450	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2nc1O)c1nc(-c2ccc(Cl)cc2)cs1	613319749	KKFSFHPQWKTCQJ-MRXNPFEDSA-N	405.866	5.207	30	20	HKED	
N#CCc1cccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1	613394313	RFGSPNXNTNAQLB-GXYHREHHSA-N	401.535	5.167	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(F)ccc2s1)c1nc2cc(C(F)(F)F)ccc2s1	613404415	QPDMXOBHFBTNDT-LBPRGKRZSA-N	420.412	6.159	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	613407575	ZCIWWARLIWYQAL-HNNXBMFYSA-N	423.950	5.796	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(=Cc2cccc(F)c2)CC1	615649098	OWXQZQSGGXBUAE-UHFFFAOYSA-N	416.418	5.085	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1	618787387	ICSCDCSZOPDNKA-HSZRJFAPSA-N	423.447	5.437	30	20	HKED	
CC(C)c1c(NCc2nnc(-c3ccc(C#N)cc3)o2)cnn1-c1ccc(Cl)cc1	619165910	OQOFXGLBONBSCN-UHFFFAOYSA-N	418.888	5.183	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccncc2)cs1	619972972	ILEKQGWBAASNHC-NRFANRHFSA-N	411.486	5.274	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)s2)c(C)c1	643779409	UNXOXJYZVAFGTB-HNNXBMFYSA-N	401.413	5.331	30	20	HKED	
C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OC(C)C)cc1Cl	682014081	AEPBMZSEOKPYMT-UHFFFAOYSA-N	411.889	5.130	30	20	HKED	
C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCc2cccnc2)cc1	726461109	LYCQUPRHQZNFAX-HNNXBMFYSA-N	422.941	5.233	30	20	HKED	
C[C@H](Oc1cccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1)C(=O)O	727685142	BNEPYBPTLGNRTL-RERGGYADSA-N	423.465	5.014	30	20	HKED	
C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(CCC#N)CC2CC2)c1=S	728901519	OYLSJSMEUSGBTM-IBGZPJMESA-N	417.582	5.274	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1	731332748	RCNRESMABIGCNQ-AUECHBEKSA-N	407.926	5.934	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc(-c2ccccc2C)s1)C(C)C)c1ccncc1	734682906	HDOBHBVIWDUWFD-QHCPKHFHSA-N	419.594	6.356	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C\c1ccnc2ccccc12	735428803	MPYAHDBBPPENGN-FLIBITNWSA-N	406.445	5.254	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(C4SCCS4)c3)c2)cc1	737772876	MRMBSLLRJVUCMI-UHFFFAOYSA-N	417.559	6.033	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3OC)cc2)c([N+](=O)[O-])cc1OC	741468829	ICDPWIUHCMBPLI-OUKQBFOZSA-N	419.433	5.184	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=S)Nc2ccccc2C#N)cc1	741506244	CDTGKGDWYHWCSV-KRWDZBQOSA-N	401.535	5.624	30	20	HKED	
CON=Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc1	741730324	NISXTPPHDZDAAU-GOSISDBHSA-N	402.494	5.176	30	20	HKED	
CC/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C)cc1	745125489	KECHIBGTCRLSSA-ZJYZBMPFSA-N	422.550	5.222	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(OC(F)(F)F)cc2)cc1OCCCC#N	747361223	HXMLOAUFLQIDFH-WMZJFQQLSA-N	405.372	5.172	30	20	HKED	
Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1coc(-c2ccccc2)n1	755550704	AMWUBBGRGRMEOJ-UHFFFAOYSA-N	416.293	5.078	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3cc(Br)ccc3F)c(Cl)nc21	763121070	CSIBDJIBKCHXLD-ZZXKWVIFSA-N	422.685	5.463	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@H]2c2cc(C)on2)c1=S	764876232	PSMHXXJOYDODCR-SFHVURJKSA-N	415.950	5.012	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccccc2NCc2ccc(Cl)cc2)cc1	765812972	CIMCPVAAMQZEDN-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)cs1	766507739	XDLRQAUHIRPFAA-ATEMXAKRSA-N	420.509	5.986	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl	766840015	GESNZOKVBXQHGH-PRWOLLLXSA-N	407.684	5.398	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Cl)c1	769861391	ACWRQOQKYWKZKH-QFIPXVFZSA-N	420.896	5.273	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)ccc2c1	770845529	BRGLDTBXZIPVOB-KSFYIVLOSA-N	412.514	5.952	30	20	HKED	
N#C[C@H](OC(=O)c1csc(-c2cc(Br)cs2)n1)C1CCCCC1	776379888	CHJZTBFRQLELAT-ZDUSSCGKSA-N	411.346	5.263	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(F)c(N3CCCCC3)c(F)c2)cc1Cl	778533120	ACOAXGBSFXDBGB-UHFFFAOYSA-N	406.889	5.289	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	779712904	NPZTXBCCXVEVKL-RYUDHWBXSA-N	403.269	5.507	30	20	HKED	
Cc1nc2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccc2s1	781206200	XRBFNGBFRVWXGT-UHFFFAOYSA-N	415.522	5.251	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3scnc3C3CC3)cc2)cc1	782305330	HLHIGIUPSMRLII-OUKQBFOZSA-N	424.547	5.026	30	20	HKED	
Cc1ccc(Br)nc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	786615840	VLJHSPVPAKQGPI-SFHVURJKSA-N	406.283	5.060	30	20	HKED	
CCCCCCCC[S@@](=O)Cc1nc(-c2cc(Br)cs2)no1	790137932	ABAMKLXIWMGRLC-JOCHJYFZSA-N	405.383	5.170	30	20	HKED	
C[C@@H](Cn1ncc2ccccc21)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	793122468	AWDBDHAWTPWOJZ-KBXCAEBGSA-N	420.925	5.326	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1	800780903	NJTXOBDUECTFHX-SFHVURJKSA-N	418.932	5.045	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)c(C(F)(F)F)cc3F)s2)cc1	804273418	WVIDLSPMWQAJJT-UHFFFAOYSA-N	423.366	5.155	30	20	HKED	
Cc1sc2nc(/C(Cl)=C/c3nc(C#N)cs3)nc(O)c2c1-c1ccccc1	811687604	PPPLJHJPBYROTI-QPEQYQDCSA-N	410.911	5.437	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccccc1F)C(=O)c1ccccc1	818470769	WYYVYRSDRZIQRV-XLNRJJMWSA-N	401.481	5.856	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1)[n+]1ccc(C(C)(C)C)cc1	839407810	GQVFEXXJNZRQGC-UHFFFAOYSA-O	401.983	5.302	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2sccc2Br)cc(Cl)c1OC	915113829	VGDIKEQGPABWHL-SNAWJCMRSA-N	401.709	5.467	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)ccc1OCc1ccccc1	915993495	RNOCKLOXBMTFPF-GHXNOFRVSA-N	413.473	5.055	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CC3)C2=O)c1	916216005	MUINTDFKOKTLKR-OAQYLSRUSA-N	421.566	5.043	30	20	HKED	
N#C[C@@H](C(=O)COc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	916650447	PTEPTTICLUJTGU-IBGZPJMESA-N	418.905	5.872	30	20	HKED	
C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)c1	916673824	OBMQFDPMVNMLFA-SFHVURJKSA-N	400.478	5.138	30	20	HKED	
CCCCCNC(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	916876614	CTRVYMFSIBRTIE-HXUWFJFHSA-N	414.958	5.261	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cc3ccccc3)n2)cc1	916948601	IBOCPKOWCVUVGH-UZLBHIALSA-N	417.534	5.209	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cnc2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1	917043745	OGYDLVYKIVIDQP-UZYOAWRESA-N	424.407	5.148	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046822	RBTHIAAQRPVLAS-NHYWBVRUSA-N	402.928	5.315	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(Cc2cccc(Cl)c2)C(C)C)c1=S	917462075	DQUXOTGLYYCJFW-UHFFFAOYSA-N	413.978	5.184	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3cc(C)c(C)cc3C)n2)cc1	920138285	CJGLIMMFRZZBJQ-UKSYNSBOSA-N	402.519	5.634	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920141468	OILZOOPZWAYUHI-OXJNMPFZSA-N	415.518	5.451	30	20	HKED	
CC1(C)CCc2nc(O)c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2C1	1356059131	IWJCAPJZEWCDOE-AWEZNQCLSA-N	411.914	5.055	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1	1792377264	ARSHVRWVGJDTIP-WAIKUNEKSA-N	402.485	5.078	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)CC1	1829069222	RFMUGSNPXIFRQZ-XZOQPEGZSA-N	414.634	5.367	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C#N)C1	5383759	OZFIUBQBAYFWNV-NSHDSACASA-N	417.918	5.585	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C)cc2C)cc1	10168719	RJWCOMRTGQSRJU-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(CC)cc2)cc1	11164389	SBEHZWCGTCXIFS-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(F)cc1	21996275	IJVFJWCQDBSTHI-CYBMUJFWSA-N	401.894	5.287	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1	24731350	MYFDGBGJCBMBKD-QFIPXVFZSA-N	414.534	5.430	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C	30525993	KMFYOQRQOHMPNP-UHFFFAOYSA-N	400.482	5.101	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2ccccc2s1	41503173	PVTFGKVZLBPMDC-SFHVURJKSA-N	412.474	5.430	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1	46443440	LONRCRUDUNPKJW-AWEZNQCLSA-N	418.261	5.515	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1-n1cccn1)c1nc(-c2ccc(Cl)cc2)cs1	51156397	WJPRMUWRYZKJNH-KRWDZBQOSA-N	404.882	5.139	30	20	HKED	
C=CCOc1ccccc1CNCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F	63566626	VJLOSPLZXPPBAB-UHFFFAOYSA-N	415.459	5.363	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1	65636286	MDNWIZBTPXQIJX-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
CN(C(=O)c1ccccc1-c1ccccc1C#N)c1ccc(Br)cc1F	65864130	AEINCQCSDIZBOP-UHFFFAOYSA-N	409.258	5.403	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc1	65870167	SJKBASHJQARPGB-UHFFFAOYSA-N	413.521	5.113	30	20	HKED	
COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)cc1OC	211783690	IYGLWJJYBAWNOY-KHPPLWFESA-N	410.901	5.115	30	20	HKED	
N#CCCCOc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1	237877674	BXFHLFXPXKOLRO-UHFFFAOYSA-N	411.977	5.024	30	20	HKED	
C[C@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	303035769	RTGQATORBNPPHI-CQSZACIVSA-N	413.361	5.386	30	20	HKED	
Cc1cccnc1[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C	303608975	BMLYPFWWWCPCPZ-JOCHJYFZSA-N	400.482	5.573	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)cc2)c1	303642904	HXHBPYKRUYDIEA-VQTJNVASSA-N	404.416	5.158	30	20	HKED	
CC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nccs1	303774525	HPYAIGFYFFYWNS-HXUWFJFHSA-N	406.511	5.061	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(Br)cc1Br	410379455	CLOXFKRQEUMXGO-UHFFFAOYSA-N	409.121	5.583	30	20	HKED	
N#Cc1c(F)cccc1CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	427422567	WQWGAKJPFTXCPC-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
COc1cc(Cl)c(Cl)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	429729125	YPVGUYJQGOSJAF-JTQLQIEISA-N	410.207	5.237	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1ccc(C#N)cc1	430195847	KWGWXPCRAVAOQW-BFUOFWGJSA-N	416.294	5.068	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1	431947673	AXHYUFYKWBVSIR-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1	433022122	IUFITDWDFNALOJ-LOSJGSFVSA-N	419.569	5.164	30	20	HKED	
O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N[C@H](c1ccc(F)cc1)C(F)(F)F	433634898	JJWXPGNZEUVQAE-UONOGXRCSA-N	412.280	5.013	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	438080338	LXYRTEWVBNIRSP-ZEQRLZLVSA-N	424.504	5.243	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1	439260556	QOQQUFGTGATPRE-GFCCVEGCSA-N	414.437	5.178	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(CCC(F)(F)F)cc1	440277142	BDYONYCCWIVTPI-PMACEKPBSA-N	401.432	5.485	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)cc(F)c1Br	443534051	VKAFDWZSKCBYLI-WMLDXEAASA-N	420.257	5.031	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1	445760684	QYBBVTHPGLAFNT-OAQYLSRUSA-N	400.444	5.059	30	20	HKED	
CSCc1cc(F)ccc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	446853932	XTHVUYIDJIZJGW-CQSZACIVSA-N	403.548	5.262	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@H](C)c2cccc(C#N)c2)c1	462596974	XJLWQSRASMPIIB-WGURPXDASA-N	410.517	5.428	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1-c1ccccc1)c1c(F)cc(C(F)(F)F)cc1F	463459699	AMVLPYDSNIKOHL-UHFFFAOYSA-N	413.292	6.181	30	20	HKED	
O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)C1CCC(C(F)(F)F)CC1	464723135	DIZGVQGAXHOJCT-UHFFFAOYSA-N	423.332	5.337	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1csc(COc2ccc(F)cc2)n1	464826323	ZRHISBPTMZLHTO-YADHBBJMSA-N	407.514	5.133	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2Cl)n1	464948289	DXMRAJJNQMOHTM-YLJYHZDGSA-N	407.926	5.375	30	20	HKED	
COc1cc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1OC(C)C	465605139	QVXNPPYMNZQVRI-YUXAGFNASA-N	421.541	5.025	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)c1	465903338	VLPANKJUSOJBJL-VWLOTQADSA-N	409.464	5.439	30	20	HKED	
Cc1c(NC(=O)c2cccc(COc3ccccc3C#N)c2)cnn1C1CCCC1	470184317	RJHIGRKYZULEIZ-UHFFFAOYSA-N	400.482	5.010	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nnc(C3CCCC3)o2)cc1F	472005516	AJXSDSPQQHZILP-UHFFFAOYSA-N	420.444	5.102	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1	475554358	IJIWRHYVTFURKC-UHFFFAOYSA-N	423.948	5.403	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)C[C@H](CC#N)c2ccccc2)cc1	475898237	HSZAKRVUKZVKAJ-RPLLCQBOSA-N	411.549	5.669	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(F)c(F)c1	477753616	FTVIMYGOXKAHEP-VXKWHMMOSA-N	411.427	5.205	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	477996428	PJGXJDNSXPHEIQ-UHFFFAOYSA-N	400.320	5.326	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4cccc(F)c4F)o3)ccc21	480279528	AOLGUSJFPWFJJM-UHFFFAOYSA-N	421.447	5.420	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccc(Br)c2)nnc1-c1cccnc1	481392032	JZKQJIKBEISHJK-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1	482305241	SGMWNHGAJGMSSK-UHFFFAOYSA-N	410.445	6.015	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1ccccc1Cl	483210197	LPFHOVQPDWUGNB-KRWDZBQOSA-N	400.869	5.126	30	20	HKED	
Cc1ccccc1COc1cccc(NCC(=O)Nc2ccccc2SCC#N)c1	484692636	BVTVMVSYZCYCMZ-UHFFFAOYSA-N	417.534	5.240	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc(-c2c[nH]c3ncccc23)c(C)s1	485513650	FNXJZOYAJLKCTP-UHFFFAOYSA-N	406.536	5.525	30	20	HKED	
N#CCCC[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccccc1	487372179	NKYMAICXEDCGFJ-IBGZPJMESA-N	410.315	5.024	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3cn(C(C)C)nn3)n2)o1	488250126	NCAJDRBMOJWQHY-UHFFFAOYSA-N	407.421	5.005	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3coc(-c4ccccc4)n3)c2)cc1	501469595	VKEISMDZGCYYDM-UHFFFAOYSA-N	423.472	5.168	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1	502069776	HWEQGYHLTKQDJR-UHFFFAOYSA-N	414.852	5.128	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1	503241826	CORSSRYJJPNYFI-XMMPIXPASA-N	405.929	5.491	30	20	HKED	
COc1ccc(Br)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1	503507931	VBHHCDPRBLUFLH-UHFFFAOYSA-N	407.267	5.249	30	20	HKED	
C=CCCc1ccccc1NC(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1	505058592	XLRRVDNRYALCNC-UHFFFAOYSA-N	403.482	5.323	30	20	HKED	
Cc1cc(F)cc([C@]2(F)CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1	505325906	QKWZIQDVOAQAEO-AOMKIAJQSA-N	415.509	5.631	30	20	HKED	
N#C[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)cc1	505821458	OJPPCNXKXLDNHZ-HNNXBMFYSA-N	423.847	5.282	30	20	HKED	
C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1	505919053	NMOVSKCOQZZRLB-IRLDBZIGSA-N	417.553	5.077	30	20	HKED	
CCSc1cccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	506707346	VWTUBIJCWMDRFE-UHFFFAOYSA-N	416.506	5.567	30	20	HKED	
Cc1sc(CNC(=O)c2cc(C#N)ccc2Cl)nc1-c1ccc(Cl)cc1	506747427	MVSJSGBLADOZCU-UHFFFAOYSA-N	402.306	5.227	30	20	HKED	
O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@@H](c1c(F)cccc1F)C(F)(F)F	506760508	WCIPFDQRFBOPFA-ZDUSSCGKSA-N	420.288	5.204	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)cc2s1	509555568	ALJMQDNUQXKSCQ-AWEZNQCLSA-N	412.584	5.299	30	20	HKED	
CCN(C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccc(C#N)cc1	510357563	XXAKCRXQWYWQIY-UHFFFAOYSA-N	423.925	5.501	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2csc(Cc3ccc(C)cc3)n2)cc1	510610345	WVSVLJMYOXRFMT-UHFFFAOYSA-N	405.523	5.002	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H](C)c1ccc(C#N)cc1	512109469	WFSWMNQRZJXYAN-STQMWFEESA-N	409.839	5.298	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	513170381	KHIZBWJSXHALMR-CQSZACIVSA-N	421.831	5.676	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc(Cl)c1OCC(C)C	513654876	NNGPRRCWTFCMLI-CQSZACIVSA-N	414.914	5.483	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2	515011044	CVYISHKOHHTXQU-UHFFFAOYSA-N	416.531	5.341	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)c2)cc1	517844829	XGGCGURRIJLQOV-DEOSSOPVSA-N	414.461	5.161	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccccc1-c1ccccc1	518667711	JPYXWNDNZBJSCX-MOPGFXCFSA-N	415.562	6.044	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)cc2)nc1	518885349	HNPDZTFXDMQILA-LJQANCHMSA-N	421.909	5.366	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccccc1	519263736	JWSZVXNHPBBFPR-MRXNPFEDSA-N	403.463	5.689	30	20	HKED	
COc1ccc(C)cc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	519434393	YTYIILWFVGFTSO-UHFFFAOYSA-N	408.445	5.209	30	20	HKED	
CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)n1	519508040	LTGXYILKCPYWTB-UHFFFAOYSA-N	418.522	5.051	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc2ccccc2[nH]1	520837537	ZIHZXPLRFCJPCZ-CABCVRRESA-N	410.568	5.248	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1	521643228	WJWHHRTZMDLCHY-RPWUZVMVSA-N	416.452	5.140	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N)CCC2	522072417	MFGGTPKRSAHSDV-GUYCJALGSA-N	400.573	5.387	30	20	HKED	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	522572406	VILVIBYMIBYMLE-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2ccc(Cl)cc2)cs1	522947339	DQIVFXZHEBNLKV-GOSISDBHSA-N	416.893	5.411	30	20	HKED	
C=CCc1cc(CNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC	523309067	YLDUYSXAYIOPAG-UHFFFAOYSA-N	423.340	5.081	30	20	HKED	
Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	523707844	WJQMUEPJBCXBGP-OAQYLSRUSA-N	416.550	5.153	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524440991	MEGBJCVTDZDEGR-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
Cc1cccc([C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	525467722	VJWQOZAGMFKUPY-IBGZPJMESA-N	400.547	5.693	30	20	HKED	
N#Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)ccc1Cl	530511865	LSETXYQICMCRHX-FQEVSTJZSA-N	408.864	5.108	30	20	HKED	
N#C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	530637835	RLIPOHMFGMLRTP-HOTGVXAUSA-N	416.321	5.002	30	20	HKED	
C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccccc2OC)n1	533774659	BLWDHZGELCFQJZ-UHFFFAOYSA-N	407.539	5.025	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N	537022614	RRMTWYGKQFAARI-MSOLQXFVSA-N	411.571	5.157	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1SC[C@@H](C)C#N	538123857	BOMSLDPJYCKYKG-ZWKOTPCHSA-N	411.571	5.015	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(Cl)s2)n1)c1ccc(C#N)c(Cl)c1	539173897	KFIAOQRCIUGAJI-UHFFFAOYSA-N	408.335	5.717	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	539224722	INKCVDKVHFDGSB-QZTJIDSGSA-N	411.571	5.015	30	20	HKED	
N#CC1(c2ccc(-c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)cc2)CC1	540728755	MQSKPDVIEYANMC-UHFFFAOYSA-N	417.472	5.357	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)n1	541103190	FUPWHIJIGDSEPH-GOSISDBHSA-N	409.877	5.140	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541158717	KBKXZIXQNJSCMA-HJPURHCSSA-N	413.525	5.173	30	20	HKED	
C[C@@H](NC(=O)N1CCO[C@@H](c2ccsc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	542091354	ZKHFOKYURHFSPG-UZUQRXQVSA-N	417.534	5.131	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)c1nc2ccccc2o1	542878266	SMLXSHIOGZBCBK-LBPRGKRZSA-N	412.232	5.588	30	20	HKED	
CCCc1c(NC(=O)N(CCC)Cc2ccc(C#N)cc2)cnn1-c1ccccc1	543044919	DZOOUXQYLASRTC-UHFFFAOYSA-N	401.514	5.141	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	543607467	VBKUTDNALLQXJQ-INIZCTEOSA-N	420.538	5.136	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F	543892361	PBSPVBVWGSGOFJ-PXNSSMCTSA-N	413.468	5.446	30	20	HKED	
Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2)cn1	543901064	CLFYZAYICKRXLU-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1	543968446	NPNOVCYRJUMCKC-SFHVURJKSA-N	413.403	5.058	30	20	HKED	
C=CCC[C@@H](NCc1cn(-c2ccncc2)nc1C)c1ccc(C(F)(F)F)cc1	544180267	DSXONNNHBFFDFB-OAQYLSRUSA-N	400.448	5.392	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)s1	545446476	LLIDZYFFHDLEPV-UHFFFAOYSA-N	400.554	5.139	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	546711390	YLJJYYOUBRHURF-VKAVYKQESA-N	421.456	5.447	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C	548962468	ULAPZCNSEGJOPE-FGAQOYRHSA-N	422.960	5.256	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1	554066300	GIWCKZJIDWTFEA-UHFFFAOYSA-N	401.457	5.330	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)c3ccc(F)cc3)c3c(C)noc3n2)cc1	554286199	BJAMJNIWIIMNDU-UHFFFAOYSA-N	414.440	5.206	30	20	HKED	
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(I)cc1	556203391	MIHWUYWPOKGMFD-BEFAXECRSA-N	404.295	5.377	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1nc2cc(Cl)ccc2s1	569936723	BEXVEAAICPEIAN-SFHVURJKSA-N	409.942	5.426	30	20	HKED	
CN(C(=O)c1ccccc1Oc1ccccc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1	571455510	PFBXIOMBIGTDOI-CALCHBBNSA-N	402.416	5.544	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cc(F)cc(Br)c2F)c1	575065168	SPCICWMBUBAAKB-UHFFFAOYSA-N	410.218	5.054	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCSC[C@H]3c3ccccc3)cc2)ccn1	576867717	RWKFFWBGZHRUSG-QFIPXVFZSA-N	416.506	5.068	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCc3sc(Cl)cc32)cc1C	580747351	OTJDGKZIVLFVKR-GOSISDBHSA-N	424.957	5.213	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccccc1OC	583662059	NPIBTPRCFOPKSI-YLJYHZDGSA-N	422.504	5.093	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(F)c2)cc1	591039739	DHKPOFKGFJNWNH-QHCPKHFHSA-N	408.448	5.176	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1	606948129	WIZIGIIVUVWGIA-UHFFFAOYSA-N	400.910	5.197	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Br)ccc1Cl	608945465	BGCDJYLFRXTNLY-QGZVFWFLSA-N	407.695	5.016	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)o2)cc1	609071969	ZYIFHRCCKDEGIY-UHFFFAOYSA-N	412.449	5.126	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2)cc1	609128905	WTQDDKFRJOYIAW-HXUWFJFHSA-N	423.472	5.512	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cc2ccccc2o1	609378632	ZQAZJEGDUHFWGB-UHFFFAOYSA-N	418.440	6.029	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)CC(C)(C)C	609439327	AWGBRQYOKRENBB-SFHVURJKSA-N	423.582	5.094	30	20	HKED	
C[C@@H](NC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1cccc(C#N)c1	610348139	POAAPUPYGIVWHY-IAGOWNOFSA-N	403.457	5.611	30	20	HKED	
C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)c1cccc(C#N)c1	610408476	ZBBBDDCUJUGTDA-LJQANCHMSA-N	415.541	5.064	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1Cl	611356402	ZUPDLFZCYQUSRW-MSOLQXFVSA-N	424.928	5.283	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)C1	612301632	GCAYMUQGEXTZLO-FQEVSTJZSA-N	403.404	5.655	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1Cc2cccc(Br)c2C1	613768987	AIDUVBFQWPCYFX-ZDUSSCGKSA-N	416.344	5.391	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	614250669	PNKOPSFPYCBQQS-MEDUHNTESA-N	415.337	5.241	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	618561413	FSIYQOUXLOYXSU-JOCHJYFZSA-N	406.441	5.178	30	20	HKED	
N#CCCn1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)c(-c2ccncc2)n1	618942099	SWJLLNRQIXYWFI-CSKARUKUSA-N	417.472	5.837	30	20	HKED	
CC(F)(F)c1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	644650286	HHZGWKRMXDWYNP-RYUDHWBXSA-N	403.313	5.438	30	20	HKED	
C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl	674439137	VZDSDOJYUMFOMQ-BBBLOLIVSA-N	420.756	5.312	30	20	HKED	
N#CCCCOc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1	726742225	MSOUETIICRFJET-PYCFMQQDSA-N	424.525	6.402	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)c(C)c1	727268859	WQRJSKYYUXBDSR-FYJGNVAPSA-N	419.550	5.326	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)c1nnc(-c2ccccc2)o1	728063084	VOKDGKYWSDRLSM-GOSISDBHSA-N	410.477	5.669	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	728626062	RJTOPGQSSBZUII-UHFFFAOYSA-N	421.280	5.414	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C#N)cc3)c3ccccc3C2=O)cc1	728695773	GKJNRZQJOMXKPP-WORIPGKHSA-N	408.457	5.014	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)n1-c1ccccn1	729375550	KKODZHWJPJZQHA-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
CCc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(OCC#N)cc2)cc1	729685260	AXQPXMVVOFTKFR-UHFFFAOYSA-N	422.532	5.294	30	20	HKED	
N#CCOc1ccc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1	731156100	GZAHCNPFMDDDQN-UHFFFAOYSA-N	409.561	6.061	30	20	HKED	
CC(C)Oc1ccc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)cc1	731664183	AWFZJOUGFHFLQF-UHFFFAOYSA-N	413.521	5.524	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](c3ccccc3)c3ccccn3)cc2)nc1	731966368	MRBSLFIOEXOTIT-DEOSSOPVSA-N	407.429	5.087	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C3SCCS3)c2)cc1	733618099	ULLPNUWAYFEYEL-UHFFFAOYSA-N	414.556	5.117	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3c(ccn3CC(C)C)c2)c1	733844199	HSCQILPEWFNHIG-OAQYLSRUSA-N	404.514	5.300	30	20	HKED	
Cn1cc(-c2cccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c2)cn1	741542520	ZDGADGGAYVFAJR-UHFFFAOYSA-N	410.502	5.038	30	20	HKED	
Cc1ccc(Br)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	741902411	MHYMSXCUDWCPDF-OAQYLSRUSA-N	405.295	5.665	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)N[C@@H](C)c1ccccc1	745723553	BOUNPCUCZKDSEA-SFHVURJKSA-N	403.526	5.648	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1	745923634	RAQHDLXKMOKCOA-OAHLLOKOSA-N	402.926	5.229	30	20	HKED	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1Br	746391836	BUZXGWNERCOXKJ-CXUHLZMHSA-N	415.337	5.035	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	746660358	QYUHYSHXPAREOQ-AREMUKBSSA-N	422.532	5.904	30	20	HKED	
C(=NNc1cccc2ccccc12)c1cn(Cc2ccccc2)nc1-c1cccnc1	747060149	JXKONTSVJQZBRH-UHFFFAOYSA-N	403.489	5.593	30	20	HKED	
COc1cc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)c([N+](=O)[O-])cc1OC	750917217	RKNINOAYFKRSQQ-KPKJPENVSA-N	421.421	5.139	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cs1	754690251	QWXJUCCYIPNURI-ALCCZGGFSA-N	402.825	5.084	30	20	HKED	
C=C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	759205441	JJXJEVBAQCHCPD-DENIHFKCSA-N	410.473	5.486	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(CSC4CCCC4)c3)CCO2)c1	761872432	LDZGTMRRJTTXEM-HSZRJFAPSA-N	421.566	5.339	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNCc1cnc2ccccc2c1	764775876	PJAXHMKJDMJENJ-UHFFFAOYSA-N	424.335	5.219	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ccc(C(F)(F)F)cn3)cc2F)c1	766768007	GNEXFHOAIMHMAV-UHFFFAOYSA-N	401.363	5.302	30	20	HKED	
FC(F)(F)C1CCC(C=Nn2cnnc2SCc2ccc(Cl)cc2)CC1	767361800	RKZSUNBHXSRIRX-UHFFFAOYSA-N	402.873	5.426	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)ccc1OC	772981005	XHMVIASPKVGVEH-JPYJTQIMSA-N	401.510	5.289	30	20	HKED	
CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)Cc1ccsc1	779397218	RXUXSQOQCPNRBO-FDDCHVKYSA-N	403.551	5.889	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](COCc1ccccc1)c1ccccc1	780675664	FQIRBPJKZHBODQ-WMZHIEFXSA-N	415.493	5.057	30	20	HKED	
C[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccc(-c2cccc(C#N)c2)cc1	782487449	HUMOERPKTRQZJD-SFHVURJKSA-N	407.473	5.300	30	20	HKED	
Cc1nnc(SCc2c(C(=O)OCC3(C#N)CCCC3)oc3ccccc23)s1	783125225	BBWNWSMVMMFWER-UHFFFAOYSA-N	413.524	5.126	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C[C@@H]1C2(Cl)Cl	791204707	FOONQNZAUKIFSE-AZUAARDMSA-N	417.361	5.365	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nccc2ccccc12	792092452	QYDQKVJFKFUWBQ-OXJNMPFZSA-N	407.311	5.442	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(Cl)nc3cc(Cl)ccn23)S1	794695034	KOIPTWSZPUGTSO-NTEUORMPSA-N	417.321	5.150	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	797662997	IOEOKXRCLLYCBV-JTQLQIEISA-N	415.318	5.242	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	799603880	OBZIBBGDFQNDIK-INIZCTEOSA-N	409.436	5.297	30	20	HKED	
N#CC1(CCCOC(=O)c2ccccc2NCc2ccccc2Cl)CCOCC1	800180288	ITJRZTUFRSZEIG-UHFFFAOYSA-N	412.917	5.209	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Br)ncc1Cl	808282189	XXMWZGNLKLJIKO-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
Cc1ccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2c1	810530271	ZOWULBGGBCQGJU-HNNXBMFYSA-N	416.474	5.486	30	20	HKED	
Cc1sc(NS(=O)(=O)c2cccc(CC#N)c2)nc1-c1cccc2ccccc12	811826711	ZWSCZVAQPDOFDB-UHFFFAOYSA-N	419.531	5.139	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813217226	DOHRIFTWVFKTQJ-KRWDZBQOSA-N	402.416	5.274	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H](F)c1ccc(C(F)(F)F)cc1	857478449	JQPVBBZJYHKHCF-HUUCEWRRSA-N	411.292	5.665	30	20	HKED	
COc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1NC(=O)OC(C)(C)C	915112625	BIAQCPAPOVJCFJ-UHFFFAOYSA-N	421.837	5.060	30	20	HKED	
C(=NNc1nc2ccccc2s1)c1cn(Cc2ccccc2)nc1-c1cccnc1	916249074	XAUKRNHWUGELDR-UHFFFAOYSA-N	410.506	5.049	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)ccc2c1	917026138	WUVMFTUTQJYXFC-OJTSNAHWSA-N	410.498	5.862	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2oc3ccccc3c2C)cs1	917559481	JNFQEMATPOUXOP-FMIVXFBMSA-N	420.465	5.918	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920804038	JAINEQFRYXJXRL-RISCZKNCSA-N	418.852	5.385	30	20	HKED	
CC(C)n1c(O)nc2ccc(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)cc21	1634695794	IMCFONQWXCVPKV-UHFFFAOYSA-N	412.449	5.239	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3sccc3OCC)cc2)CCC1	1785773325	AADOUNVYWDIMGZ-UHFFFAOYSA-N	424.566	5.088	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(Cn2cccn2)c1	32469249	SXHUDOMUDAPTAH-UHFFFAOYSA-N	410.502	5.207	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c3c(C)noc3n2)c(C)s1	33179969	FAOWGNTWKRHNGC-ZDUSSCGKSA-N	416.506	5.239	30	20	HKED	
CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H](C)c1ccc(C#N)cc1	42741623	TYUNYOMIALLDIY-GFCCVEGCSA-N	410.732	5.540	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cc(-c2ccccc2)no1	45775472	XHSASWQXJIXHPJ-UHFFFAOYSA-N	411.486	5.294	30	20	HKED	
CSCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	55823545	HAASVYURCVYHHF-UHFFFAOYSA-N	402.519	5.447	30	20	HKED	
CCCc1nc(C)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	55823934	SFLWKKVQBCGYDJ-UHFFFAOYSA-N	405.523	5.301	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1[nH]c2ccccc2c1Cl	57090367	VEKNBZCMTDJTRY-UHFFFAOYSA-N	402.841	5.441	30	20	HKED	
CCOc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC	58788316	ORPZCBVJEKQFNE-UHFFFAOYSA-N	418.518	5.047	30	20	HKED	
C=CCOc1ccccc1CNCc1csc(COc2ccc(Cl)cc2)n1	237767026	GGSBCFGMTMPIEB-UHFFFAOYSA-N	400.931	5.230	30	20	HKED	
Cc1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	303104267	DINVMDIRKQPHLS-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c1	303740007	YTUYVAJBBFWVET-UHFFFAOYSA-N	404.470	5.143	30	20	HKED	
CC(C)Oc1cc(Br)cc(NC(=O)c2cccc(SCC#N)c2)c1	430624007	HRASOZDJIHMQIO-UHFFFAOYSA-N	405.317	5.104	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	433989723	GWTKEJDTQCYEEY-UHFFFAOYSA-N	416.387	5.169	30	20	HKED	
CC1CCC(N(C[C@H]2CCCO2)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	438070216	WMKKOAXYWVNLPX-CQJJOKNBSA-N	415.603	5.530	30	20	HKED	
Cc1ccc(Br)cc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	439323723	FZGOHRXSJZJIAG-ZDUSSCGKSA-N	418.360	5.331	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1nc(-c2ccco2)no1)c1ccc(C(F)(F)F)cc1	441568690	RAHPXEAUWOKWMX-INIZCTEOSA-N	419.403	5.105	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)CC1	441791608	WNPCUDBPJLYEBE-UHFFFAOYSA-N	420.300	5.027	30	20	HKED	
N#Cc1ccc(CCC(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)cc1	446434685	NFNSTKCUAHMIGA-DEOSSOPVSA-N	400.909	5.470	30	20	HKED	
FC(F)(F)CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)CC(F)(F)F	447830292	KDJSLTMULLMAJF-UHFFFAOYSA-N	420.275	5.677	30	20	HKED	
CC(C)(C)[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1	448018615	PVCAQOMMXNBWRN-TZIWHRDSSA-N	411.933	5.274	30	20	HKED	
COCCN(C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)c1ccc(C#N)cc1	460354083	SBFPSMJOBZDDQV-UHFFFAOYSA-N	406.432	5.105	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3SCCc4sccc43)cc2F)c1	463476733	SADCOKJRAQSSFI-NRFANRHFSA-N	424.522	5.307	30	20	HKED	
N#Cc1cc(NC(=O)CCc2ccccn2)ccc1Oc1ccc(C(F)(F)F)cc1	464274626	IOHCTRDDGOZCSW-UHFFFAOYSA-N	411.383	5.336	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)on2)c1	468229477	KVFYBGSUXWWTEJ-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1	468616457	AXGSXBLIGNUVTG-FQEVSTJZSA-N	419.319	5.112	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1Cl	469190565	HHOYOXFFMDRJBC-AWEZNQCLSA-N	402.325	5.749	30	20	HKED	
COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	470573552	JBWGLLGTZSRFBE-JOCHJYFZSA-N	409.917	5.058	30	20	HKED	
COc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	474261599	AIBDSYXEZXVJAZ-HNNXBMFYSA-N	409.301	5.277	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1Cl	474966826	DSOBKSQZTNJCQV-HKUYNNGSSA-N	423.944	5.381	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	474998982	OCIVPCMRCSFUJX-SFHVURJKSA-N	407.493	5.546	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1	475016323	ODAWYXXXDDGIQF-UHFFFAOYSA-N	423.944	5.456	30	20	HKED	
C=CCC[C@@H](NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1)c1ccc(C(F)(F)F)cc1	476408774	SCJTZJHKJTXXQE-SJLPKXTDSA-N	419.491	5.481	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(-c2cccnc2)cc1	476458299	MBGXIFPKJHUEIE-OWAUWMPXSA-N	410.521	5.291	30	20	HKED	
C[C@H](c1ccccc1Br)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1	477542114	LXVTYXPJAPKGDO-CQSZACIVSA-N	400.320	5.475	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1-c1ncco1	481894172	OABHFKHISHJIBH-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CCCc1c(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)cnn1-c1cccc(C#N)c1	482523546	GETUWHGEWYKQGE-MHECFPHRSA-N	413.525	5.311	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	487187403	QWISBXHICNWFBC-NRFANRHFSA-N	418.566	5.133	30	20	HKED	
CN(C(=O)c1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1)c1ccccc1	487566247	CFVCAWFTQZYEGK-DEOSSOPVSA-N	411.505	5.128	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F	488274236	SOFQDMGBJZBMLN-HXUWFJFHSA-N	403.448	5.044	30	20	HKED	
Cc1ccc2c(C3=CCN(Cc4cn(C)nc4-c4ccc(C#N)cc4)CC3)c[nH]c2c1	491230146	XCDHFSLZDTYAEJ-UHFFFAOYSA-N	407.521	5.038	30	20	HKED	
C/C(=C\c1ccccc1)CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	494568651	YZTHAOAYJIBBBA-XMHGGMMESA-N	424.504	5.378	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CSc4ccc(C#N)cn4)nc(O)c23)cc1	495265250	ADMWFYIEVRMWSI-UHFFFAOYSA-N	404.520	5.240	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl	496027748	IRQBNECDFLULPB-CQSZACIVSA-N	403.290	5.616	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1OCC(F)F	497530835	FPMCANHEPYHADF-YJBOKZPZSA-N	419.859	5.288	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)c1ccc(Br)cc1	499375709	RPGZPPYDNDGDJO-ZIAGYGMSSA-N	403.345	5.443	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(C(F)(F)F)c1	499563924	VYMIVUOBSNDHPQ-KGLIPLIRSA-N	422.472	5.874	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)CN1Cc1ccccc1	499891442	VXRPUBGACPQPFY-XUVXKRRUSA-N	422.598	5.208	30	20	HKED	
CSc1cccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	502320010	RLRYBLZBZQMXOV-UHFFFAOYSA-N	403.507	5.698	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2cccs2)Cc2cccs2)c1	502416317	MWWRNZIXYTUZOJ-UHFFFAOYSA-N	419.478	5.517	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(-c2ccco2)s1	504323207	APOSWJGCQOQXRO-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
CCCc1c(NC(=O)c2ccc(C(C)C)nc2CC)cnn1-c1cccc(C#N)c1	504812009	CYWNSLWNHJDSFN-UHFFFAOYSA-N	401.514	5.030	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([C@@H]4CCCOC4)cc3)n2)cc1	505432651	BXCPEDXPBJVZEU-NHCUHLMSSA-N	402.519	5.503	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Br)c1	510466221	VNZXVXJNLAWEMG-CRAIPNDOSA-N	403.707	5.014	30	20	HKED	
O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510950179	TWOHZXFTMJRDFA-OSAQELSMSA-N	414.365	5.487	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1	512972302	CGAQHIXAMWEGAS-UHFFFAOYSA-N	423.394	5.368	30	20	HKED	
Cc1ccc(-n2c(Sc3ncc(C#N)cc3Cl)nnc2-c2ccncc2)cc1C	513634932	HWBUMXFWQBIUKL-UHFFFAOYSA-N	418.913	5.017	30	20	HKED	
Cc1ncc(-c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)o1	515088786	TXBFFRYEEHDYHQ-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	517205548	FHSAFPHIIGZMIT-QFIPXVFZSA-N	414.465	5.123	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1	517835692	OEVIPENBELWSAV-UHFFFAOYSA-N	410.905	5.188	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCCOc1cccc(C#N)c1	518903591	JSBXLAVBBHXPSN-MRXNPFEDSA-N	404.432	5.346	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1cccc(Cl)c1Cl	519486531	NMXREVMNQNMARF-DZKIICNBSA-N	424.125	5.240	30	20	HKED	
C[C@H]1Sc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2NC1=O	519978406	CUXJEIFTUZTGHV-CQSZACIVSA-N	415.474	5.036	30	20	HKED	
C=CCn1c(S[C@@H](CC)C(=O)c2ccc(OC)cc2)nnc1-c1ccc(F)cc1	521719036	BZJRSOYYHKJWDR-IBGZPJMESA-N	411.502	5.032	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(-c2csc(C)n2)cc1	522174704	MJLHNTHYDRUIPO-UHFFFAOYSA-N	417.987	5.731	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCCC2)n1	522844332	SNBQNGOHOBWNPJ-UHFFFAOYSA-N	418.522	5.707	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccccc1F	523792600	GJMXSKNESOEOPO-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(C#N)cc2Cl)o1	533177606	XSYHWEPBPMUZJU-UHFFFAOYSA-N	408.870	5.517	30	20	HKED	
Cc1ccc(Br)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1	534897776	QUCGTUVFLQGBGF-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CCC(CC)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C	536053230	DTTIKKNGUDBYFC-UHFFFAOYSA-N	418.497	5.478	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC)c1ccccc1	536207617	BKHUHOFPODEGDS-OXQOHEQNSA-N	414.343	5.481	30	20	HKED	
N#CCCn1cc(CNc2ccccc2COCc2ccccc2)c(-c2ccccc2)n1	538824624	YACJFJIYNYXRGM-UHFFFAOYSA-N	422.532	5.793	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1cccnc1)c1ccc(F)c(F)c1	539616020	MCRDDDRONQFUTH-QHCPKHFHSA-N	417.459	5.167	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3ccccc3NC(=O)C3CC3)no2)c2ccccc21	546290506	JTIRSOLYQWRZPA-SEYXRHQNSA-N	423.476	5.124	30	20	HKED	
Cc1nc([C@H](C)N2CCC(C#N)(c3ccccn3)CC2)oc1-c1ccc(Cl)cc1	548865040	JABLVVAIQAUNAV-KRWDZBQOSA-N	406.917	5.317	30	20	HKED	
C[C@@H](C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncccc1F	552804180	ZAZPENYNWBJDPX-SNVBAGLBSA-N	408.317	5.020	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1	554714147	QQCLIMNCTSXKBZ-DOTOQJQBSA-N	406.835	5.723	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(-c4ccccc4)on3)cc2)cc1	559068554	GDWCJCSHYSCLTR-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
Cc1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1C	560230771	KMBBJYOMUBJXKW-CQSZACIVSA-N	417.321	5.322	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2cccnc2)CCCC1	572517699	GKIRGLZRDPDLJJ-UHFFFAOYSA-N	417.322	5.010	30	20	HKED	
Cc1c(C(=O)Nc2cc(C#N)c3ccccc3n2)sc2nc(C(F)(F)F)ccc12	577537909	IPXSXMKIEXRTTE-UHFFFAOYSA-N	412.396	5.296	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	578805937	JICZJHCUPFXNQM-UHFFFAOYSA-N	408.408	5.078	30	20	HKED	
C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(OC(C)C)CC1	579736285	FHTQBGKUJAMZLB-UHFFFAOYSA-N	409.361	5.222	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(C(F)F)c3Cl)CC2)cc1	582575359	WBYOATAMCBDSKL-UHFFFAOYSA-N	405.832	5.225	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ccccc2)c1C(F)(F)F	590234246	NUFMQTJLICOYIU-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
N#Cc1ccc(Oc2ccc(N[C@H](C(=O)NC3CC3)c3ccccc3)cc2Cl)cc1	604048060	YZANNKDTTGEBTC-QHCPKHFHSA-N	417.896	5.436	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(Br)c1	604545484	FXFZVPYCEOXKJS-ZDUSSCGKSA-N	423.694	5.451	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCc2ccncc2)cc1Cl	609164896	ZURJWOBHRFLSJD-FQEVSTJZSA-N	407.926	5.262	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4ccc(F)c(F)c4)CC3)o2)cc1	609183478	SMUCAJDLLKVBED-UHFFFAOYSA-N	422.431	5.028	30	20	HKED	
CN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccc(C#N)cc1F	609298413	FARQNYCHKZUBFW-UHFFFAOYSA-N	402.397	5.304	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	609385640	DHPKERQKPNZNQY-RXVVDRJESA-N	423.582	5.255	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	609387166	QSGQNIMIMYGIFV-ZDUSSCGKSA-N	423.460	5.159	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609496844	KKYRRADGOYJWOH-UHFFFAOYSA-N	422.431	5.419	30	20	HKED	
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	609617244	VOFHRVMEQUTULZ-GFCCVEGCSA-N	410.861	5.492	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)oc1C	609627747	AZYZHJMGUZVDSH-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cs1	609724980	XOBLLNVFQZCNAK-CYBMUJFWSA-N	411.914	5.514	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c2)n1	610040615	ANAFRSHEZAHSTA-UHFFFAOYSA-N	401.516	5.971	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc2ccccc21	611984060	RRPLNJWIHBVAFQ-UHFFFAOYSA-N	419.444	5.153	30	20	HKED	
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1	612574859	MDXKTZCSFOWUKW-PIGZYNQJSA-N	415.228	5.804	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccc(C)o4)nc3C)n2)cc1	613318923	INEUGVUGNLAQTM-MRXNPFEDSA-N	419.531	5.942	30	20	HKED	
C=CCn1c(SCc2cccc(OCC(F)(F)F)c2)nnc1-c1ccccc1	615345507	PPVLOEOZBDAHDX-UHFFFAOYSA-N	405.445	5.365	30	20	HKED	
N#CC[C@H](CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1	619427800	NTQODUWVIAXZIS-ILXRZTDVSA-N	406.370	5.100	30	20	HKED	
C[C@H](CC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccccc1C(F)(F)F	622566132	FATVVDXQXZHATG-QGHHPUGFSA-N	407.329	5.600	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)C2CC2)cc1OC	672818460	ZUZAKGNHPFSVQH-HXUWFJFHSA-N	402.332	5.263	30	20	HKED	
C=C(C)COc1cc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC	678208555	SLXAJXFUPNJRAR-HUUCEWRRSA-N	411.386	5.213	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1	681592885	XBAXZZVEGOHRKQ-UHFFFAOYSA-N	407.564	5.236	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	683089569	VFWSCIGJZKMKBP-HNNXBMFYSA-N	408.317	5.290	30	20	HKED	
Cc1ccccc1COc1ccc(C(=O)/C=C\c2cn(C)nc2-c2ccncc2)cc1	727781926	ZSAKPYCQIRQENC-XFXZXTDPSA-N	409.489	5.266	30	20	HKED	
Cc1cccn2cc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)nc12	728201660	LWGUJNPNMCXWIQ-UHFFFAOYSA-N	402.885	5.359	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1	728479156	LSNPGSDIXAPLFP-UHFFFAOYSA-N	413.502	5.016	30	20	HKED	
Cc1nc(/C=C2\COc3ccc(F)cc32)sc1C(=O)/C=C1\COc2ccc(F)cc21	729149509	ISMKQJANJCEKTN-AANLELRNSA-N	423.440	5.321	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cccnc1Cl	730149381	WFMSCUDWRIGWBG-HJWRWDBZSA-N	419.731	5.826	30	20	HKED	
CON=Cc1ccc(C(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc1	730243618	NNMYWNLGJMGUOH-ZDUSSCGKSA-N	413.930	5.243	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)n1-c1ccccn1	731345455	WHYIRLKIWCJZJQ-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
CC(C)N(CCC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)OC(C)(C)C	731349803	SHLICTONRMUAFA-INIZCTEOSA-N	405.564	5.055	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(Cl)cc1Br	733221108	YIHDCEWJTZIXHZ-GFCCVEGCSA-N	423.763	5.678	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	733639631	GODSJJWBLUHIAA-UHFFFAOYSA-N	421.888	5.236	30	20	HKED	
Cc1nc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	733679959	QJXYNUPPAOLABH-CQSZACIVSA-N	422.362	5.691	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1	733806244	XVYRLQUJEIKZBU-LPHOPBHVSA-N	415.946	5.057	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c1	733843799	OHKGBOTZWFWVGD-FQEVSTJZSA-N	419.456	5.621	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)c1	733851696	HPKALMJTMAUAPN-ZJSXRUAMSA-N	421.541	5.203	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)cc2)cs1)C1CC1	734306705	QJKPGGUDRRWJHC-ZROIWOOFSA-N	404.491	5.347	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Oc1ccncc1	734318132	MBDMMLJCJXALOQ-RUZDIDTESA-N	419.484	6.090	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNc1cccc(C(F)(F)F)n1	739421333	IBFYLSZGSFJBJF-UHFFFAOYSA-N	414.218	5.347	30	20	HKED	
CC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1OC	740052470	QKODAGYVLZRDIA-FQEVSTJZSA-N	405.523	5.246	30	20	HKED	
N#Cc1ccc(-n2nccc2NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1	741927973	HYHIEUFNYYYQCY-UHFFFAOYSA-N	418.378	5.081	30	20	HKED	
C=CC(=O)Nc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1	741969908	QLQIUSNUWYEUAF-UHFFFAOYSA-N	415.880	5.183	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1ccc2c(c1)COC2	742437026	QDQQTDRRBKXKRA-HJWRWDBZSA-N	413.304	5.473	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2coc(-c3ccccc3)n2)cc1	743092820	DVXWOVFNCFRAKZ-HSZRJFAPSA-N	408.461	5.319	30	20	HKED	
Cc1cccc([C@H]2CCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)c1C	744418591	AHSCCIPLMKFNTE-JTHBVZDNSA-N	410.521	5.068	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1	747100050	XDSDEVUBEWKABF-VWLOTQADSA-N	405.492	5.388	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)c(C(F)(F)F)c1	747204400	IMPQBOZBALBXAQ-OAHLLOKOSA-N	416.786	5.473	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1	749002721	FTUQRGATUPGPOK-UHFFFAOYSA-N	401.963	5.113	30	20	HKED	
C=CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C)c1ccncc1	749726720	SRVSOXCSPWSFGR-JOCHJYFZSA-N	419.912	5.083	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2coc(C(C)C)n2)cs1)c1ccc(F)cc1F	752890143	QPUBRSHWJOKZQQ-ALCCZGGFSA-N	417.437	5.113	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	753396746	UXINKDLUORSZMS-UGSOOPFHSA-N	411.288	5.598	30	20	HKED	
C#Cc1cccc(N(C)Cc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)c1	756510566	VLUXYABRQQAVLE-UHFFFAOYSA-N	423.969	5.716	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(F)ccc2F)cs1	757476245	WXBZQQRUCQANPR-UITAMQMPSA-N	418.852	5.655	30	20	HKED	
C[C@@H](OC(=O)/C=C\c1ccccc1C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	757989629	KYFVOYMKJKEWCE-OJIASSBASA-N	414.248	5.233	30	20	HKED	
Cc1cc(NN=Cc2c(F)ccc(C3OCCO3)c2Cl)ccc1Br	761799328	HHSBRFHJQJGTCS-UHFFFAOYSA-N	413.674	5.041	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(C(=O)N[C@@H](C)CC)c2)cc1	765031475	STVASWULPBBVGV-ZWKOTPCHSA-N	400.950	5.197	30	20	HKED	
C#CC[C@@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	767250048	HTMLOMKEVGBFLK-GGAORHGYSA-N	403.913	5.083	30	20	HKED	
COc1ccccc1-c1nc(CON=Cc2cc(Cl)c(OC)c(OC)c2)cs1	774795523	AWZVTWAGIDRGMQ-UHFFFAOYSA-N	418.902	5.040	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cnc([C@H]4CCCO4)s3)cc2F)c1	779595217	FODJTJGUVKYSBU-OAQYLSRUSA-N	409.486	5.196	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	780164648	NIXQRAVQNJPOAA-IVZQSRNASA-N	424.472	5.728	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3cccc(Cl)c3)CC2)c1	792939528	MNUKNUNZTSSDPP-OAQYLSRUSA-N	409.917	5.020	30	20	HKED	
CC(C)[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccnc1	797943768	WKMJRFGIJHZTSH-WMLDXEAASA-N	403.429	5.326	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCc2cccnc2)cc1	806255677	CAEWJEOKQSZUIQ-UHFFFAOYSA-N	419.529	5.048	30	20	HKED	
C#C[C@H](NC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C)c1ccc(Cl)cc1F	806268517	JEKSKOSHRTYUQH-SFHVURJKSA-N	415.896	5.268	30	20	HKED	
C=C(C)Cn1c(-c2cc(-c3ccccc3Cl)nc3ccccc23)nnc1N(C)OC	812187296	QEWIHMMCTMNZHF-UHFFFAOYSA-N	419.916	5.387	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl)c1ccccc1	814324895	ZQDWGHOLQPLOLM-QZTJIDSGSA-N	418.324	5.551	30	20	HKED	
CC(=NNc1ccc(C#N)cc1C(F)(F)F)c1oc2cc(C)ccc2c1CC(=O)O	814922962	FNEVXDKQYQPQIK-UHFFFAOYSA-N	415.371	5.095	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cn2c(Br)cnc2s1	816444651	PJBMRWKNAWQSCQ-UHFFFAOYSA-N	404.333	5.263	30	20	HKED	
N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2ccccc2s1	915098255	OCGKKDSCRXPUSX-HNNXBMFYSA-N	422.897	5.199	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CC2(Cl)Cl)cc1Cl	915907677	CBPVWJGSCRIYRW-CJNGLKHVSA-N	408.716	5.311	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccccc4OC)c23)cc1	916357476	STMPGRMQZZEMAN-UHFFFAOYSA-N	404.495	5.212	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)CSc2cccc3cccc(Cl)c23)nc2ccccc21	916627058	RIPZDDHHOKLSQR-HNNXBMFYSA-N	405.910	5.348	30	20	HKED	
CCCc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)sc1C	916905736	PDPHUJXFEAWMIK-LJQANCHMSA-N	418.518	5.763	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	916918478	PQFWHLVSUOCOGY-LAUBAEHRSA-N	400.478	5.080	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2COC)cc1	916955067	MBTYUOKESMPZEB-DNVCBOLYSA-N	404.466	5.054	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C)cc1	916955939	VUNPFKLIARZHRQ-YWZLYKJASA-N	417.534	5.593	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1	918713610	PQWPIXLTVXMAGO-TWGQIWQCSA-N	407.388	5.873	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1	919904619	PVGSBHXDMAUCKD-IFMALSPDSA-N	417.896	5.641	30	20	HKED	
Oc1nc2ccccc2cc1/C=N\CC1(c2cccc(C(F)(F)F)c2)CCOCC1	920175245	UGWZAGQZNLFUFY-VYYCAZPPSA-N	414.427	5.127	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cnn(C)c2)ccc1OCc1c(F)cccc1Cl	920833574	LLURUVDRZNOPQI-VQHVLOKHSA-N	414.864	5.086	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)C2	1792573155	BIAUETQXSJGYRV-IROFBDHCSA-N	414.634	5.224	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CC[C@H](CC)CC3)CC2)C1	1805459794	UQQDSYDRNXTHDR-AFARHQOCSA-N	414.634	5.202	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)[nH]n1	1819553750	UDOKRUXFRPTUGV-QZMUEMGWSA-N	420.557	5.108	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2F)CC1	1824725226	PGJXLZIMDYCXMY-IBGZPJMESA-N	420.594	5.113	30	20	HKED	
C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nnc(-c2cccs2)o1	5564958	ALDMWTUGKSUZSO-AWEZNQCLSA-N	401.447	5.255	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(Br)cc1	25732205	XKTFXEPJCMFDFX-HNNXBMFYSA-N	405.295	5.479	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccco1	30714855	FGTMAVKFXZEMEA-IBGZPJMESA-N	410.543	5.096	30	20	HKED	
COCc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	41537839	OVDZFLYGDCHXBR-MRXNPFEDSA-N	417.317	5.753	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c(C)c1	54539021	OBTSHODGOWUPDZ-UHFFFAOYSA-N	419.525	5.089	30	20	HKED	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	62881252	ARWUAHPNDSKZKQ-KRWDZBQOSA-N	418.518	5.214	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ccccc2Br)cc1	71843744	KBWZJXXLGDTAMW-HNNXBMFYSA-N	403.345	5.185	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2c(C#N)cnc3c(C)cc(C)cc23)ccc1OC	301361015	ALQZLROTPGALDN-LJQANCHMSA-N	400.482	5.025	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)N(C)C)c1	303855006	VQUUCTMFYJJFQN-UHFFFAOYSA-N	414.465	5.005	30	20	HKED	
C=CC[C@@H](CO)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	410066898	HADYPAWXJPAXQU-HNNXBMFYSA-N	401.915	5.045	30	20	HKED	
CC(C)(C#N)CCCC[S@@](=O)Cc1csc(COc2ccc(Cl)cc2)n1	436103063	MPSPWIBWVGXVRR-AREMUKBSSA-N	410.992	5.344	30	20	HKED	
Cc1nccn1CCCN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437394906	MUDZAQGGOZRRRF-NRFANRHFSA-N	421.932	5.054	30	20	HKED	
COCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438650559	QHJUFJVYEQPTLB-UHFFFAOYSA-N	419.456	5.170	30	20	HKED	
C=CCc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC	439276293	OULKDBHWQHRDGR-UHFFFAOYSA-N	400.689	5.645	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1	439641912	DKIXNDFBEBBPCG-KRWDZBQOSA-N	403.457	5.546	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	440008454	UAVVWUOIQCLYKY-UHFFFAOYSA-N	406.873	5.480	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nncn1C(C)C	440288716	CIWMSKJKASMDEI-UHFFFAOYSA-N	416.529	5.088	30	20	HKED	
Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1C1CC1	441791739	XCJVIKNTAXPXIM-UHFFFAOYSA-N	411.461	5.114	30	20	HKED	
C[C@H](C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C(F)(F)F	443866305	FEQWMDIPIITZIU-SECBINFHSA-N	422.300	5.234	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1	444386726	DZOHVTLUADHBMQ-INIZCTEOSA-N	417.465	5.710	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2ccccc2)cs1	444455376	SQMMIDKIETVCJH-IBGZPJMESA-N	421.481	5.295	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	460524760	ZDWQLSQNNUVLRJ-HSZRJFAPSA-N	413.521	5.537	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21	460566020	JMCCQEKCMKGHTC-VXNXHJTFSA-N	413.569	5.003	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cc1	464444862	FJYCYMRYSPRQMS-SFHVURJKSA-N	410.498	5.430	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)o1	466849599	RZMHURILZJEBED-NRFANRHFSA-N	420.440	5.206	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccccn1	467842256	XQAVFQURJAFZFD-MRXNPFEDSA-N	409.854	5.284	30	20	HKED	
CC(C)(CCC#N)CN1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	470538148	SEZQEKWLLGUKIM-MRXNPFEDSA-N	408.386	5.427	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	475551895	ZHXSGWHZKLWRMR-IRLDBZIGSA-N	400.469	5.468	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1	476158965	RYJLSGYSNXCWMP-UHFFFAOYSA-N	418.581	5.348	30	20	HKED	
N#CC[C@@H](CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccccc1	476920434	JSPDUZALNBTNRJ-INIZCTEOSA-N	404.407	5.080	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)csc1Br	478081288	IGHWZSPCTMCTRO-LBPRGKRZSA-N	403.326	5.433	30	20	HKED	
CC(C)NC(=O)c1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1	480704182	CKVVXKAWALCZNK-UHFFFAOYSA-N	415.518	5.100	30	20	HKED	
C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@@H](OC1CCOCC1)c1ccccc1	481648773	ZQDBMHCARLVGQI-RRWZXMNXSA-N	404.554	5.241	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C	482791108	RKWDGNPCKOLZBA-AWEZNQCLSA-N	408.889	5.732	30	20	HKED	
Fc1ccc2cc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)[nH]c2c1	486722360	OMMPZEFWNHRASD-KRWDZBQOSA-N	404.329	6.109	30	20	HKED	
C=CC[C@@H](C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccccc1	488618920	JECLLQHBMSHGSR-AUSIDOKSSA-N	416.521	5.206	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)Nc3c(CC)cccc3CC)o2)cc1	489815193	XGHVOOSXQUMBIB-UHFFFAOYSA-N	423.538	5.157	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](COc3ccccc3)C2)cc1	504140769	CHMGVWLRJQSKMQ-GOSISDBHSA-N	416.452	5.031	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	504481285	WWLRQDDOJDOUBH-INIZCTEOSA-N	422.510	5.177	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(CCc3cccc(F)c3)C3CC3)c2)cc1	505157674	CNODRBQLKRXXIX-UHFFFAOYSA-N	400.453	5.337	30	20	HKED	
COc1cccc([C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	505651765	MIYLFHPTRCVQRL-MRXNPFEDSA-N	402.450	5.110	30	20	HKED	
N#Cc1ccc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1	509676507	APUGXJGXJGRSLE-FQEVSTJZSA-N	421.909	5.275	30	20	HKED	
CC(C)c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	510581052	WKKSZEDHLBTRDF-UHFFFAOYSA-N	413.521	5.777	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(-c2cccc(F)c2)n1	511149636	IDQUIIHRIICKJK-UHFFFAOYSA-N	419.506	5.731	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511547400	TYAKHNCPRXQVSQ-IBGZPJMESA-N	405.395	5.089	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1	513475651	LAXPKHJIMNQPEN-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1	513479578	ODLLGTHXUFNXCM-UHFFFAOYSA-N	414.362	5.036	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n1	513695677	JXNLSECFSRPAAI-NRFANRHFSA-N	404.535	5.818	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	513784715	XOKWOWVVCHQMDJ-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	518255465	MXYCAFMIUJEVTH-YWZLYKJASA-N	401.963	6.253	30	20	HKED	
COc1cc(CS[C@@H](C)c2nc(C(C)C)no2)ccc1OCc1cccc(C#N)c1	519845158	LQVWMNMHEBFEDQ-INIZCTEOSA-N	423.538	5.647	30	20	HKED	
C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	520325542	VSHIIBSBLXKBQK-MRXNPFEDSA-N	422.431	5.020	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)cc1	521447581	OFJVFUHLOCQSEU-UHFFFAOYSA-N	409.272	5.543	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccc(C(F)(F)F)cc1	535121824	QSJGBUDEQLOGGN-KRWDZBQOSA-N	411.493	5.362	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)cc2)c1	536814300	FKNRXAVKNPSTKY-HYBUGGRVSA-N	413.477	5.250	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)c(C)c2c1	536972943	ABKYZGOOSIQZKT-UHFFFAOYSA-N	408.523	5.746	30	20	HKED	
C[C@H](NCc1ccc(C#N)s1)c1nc(-c2ccc(Br)cc2)cs1	537318877	QEXZWXGOMXZDBY-NSHDSACASA-N	404.358	5.357	30	20	HKED	
COc1cc(OC)c(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1Cl	537587959	VNEHBNLANVOZIG-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	538023501	DVTNGVPEPUCQTB-OPAMFIHVSA-N	418.928	5.836	30	20	HKED	
N#C[C@H](C(=O)c1cnn(CCC(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	544146421	HJJHWARRQYCCKC-CQSZACIVSA-N	424.835	5.102	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc2cc(C(F)(F)F)ccc2o1	549199575	PDUFLCPFZLHJAZ-UHFFFAOYSA-N	417.774	5.043	30	20	HKED	
C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CCC(OC(C)(C)C)CC1	549218873	ZBZXOGNLXKFYBX-UHFFFAOYSA-N	418.585	5.382	30	20	HKED	
N#CCCN(C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1	554494811	JTZNTEAUINTVDC-RPBOFIJWSA-N	414.480	5.455	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NCc1cn(CCC#N)nc1-c1ccccc1	555338910	PFPCMVYKXAZZLN-UHFFFAOYSA-N	407.521	5.370	30	20	HKED	
CC1(C(=O)N2CCC=C(c3ccccc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1	561349955	YVAZCQIIZRFSJO-UHFFFAOYSA-N	419.956	5.134	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCOc1ccc2ccccc2c1	564471983	ADKQWZJOTZCZDY-UHFFFAOYSA-N	402.881	5.457	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1	571108531	YEXHCBXIIRJQKY-UHFFFAOYSA-N	422.602	5.005	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(Cl)sc4[nH]3)n2)cc1	580253211	UXINAEVDWIUPEL-CYBMUJFWSA-N	408.895	5.368	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)C1(C#N)CC(C)C1	583297076	HSWNRPQNPSYEBU-UHFFFAOYSA-N	404.489	5.610	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CCCCCC#N	588153942	AUTHTMUDNNECEW-UHFFFAOYSA-N	417.431	5.679	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(F)c(Br)c1	590067524	OPKBTKYFMUDVCT-AUUYWEPGSA-N	418.310	5.384	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nc2cc(F)ccc2s1	601931333	IOQBHOQAEODLIW-INIZCTEOSA-N	424.403	5.996	30	20	HKED	
N#CCc1cccc(C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)c1	603991768	QMIFJDADMHNTPK-UHFFFAOYSA-N	400.444	5.256	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1	609523247	GUEYKZVVMAVMNZ-FMKPAKJESA-N	413.226	5.497	30	20	HKED	
CCOc1cc(CNC2CCC(Oc3ccccc3C#N)CC2)ccc1OC(F)F	609544915	ZPCAXHBOSLZUSS-UHFFFAOYSA-N	416.468	5.038	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2cccc3cccnc23)c1	609724470	RWOIOEXTGGYWHT-UHFFFAOYSA-N	413.864	5.482	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CC#N)C1CCCC1	609976783	ZGGVEWZPGSZTHC-UHFFFAOYSA-N	419.909	5.010	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4cccc(Cl)c4)CC3)cn2)c1	610141795	NNDLGHBLEQGJST-UHFFFAOYSA-N	404.857	5.210	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)cc2)c1	610174142	MPMKJNPJRAUFNK-RTWAWAEBSA-N	404.416	5.158	30	20	HKED	
C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1cccc(C#N)c1	610359415	JLOLDWGHALLPOB-AWEZNQCLSA-N	424.426	5.131	30	20	HKED	
CCN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc(C#N)cc1	611073635	ZRDRJJSMVMKODS-UHFFFAOYSA-N	401.413	5.367	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	611556748	XYVVBILBCOVPFU-GDBMZVCRSA-N	403.404	5.545	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3COc3ccccc3)n2)cc1	613318307	XIIFWUVSFJGYBX-FQEVSTJZSA-N	414.486	5.781	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2n1C(F)F	613401577	FZBGASCHPKWWPJ-GOSISDBHSA-N	403.388	5.714	30	20	HKED	
N#CC1CCN(c2nnc(-c3cccc4ccccc34)n2CCc2ccccc2)CC1	619821633	CAUXSFHYZHZDLI-UHFFFAOYSA-N	407.521	5.081	30	20	HKED	
C=CCN(CC=C)C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	641895305	KCZKOBNAXNLYCS-CYVLTUHYSA-N	404.535	5.436	30	20	HKED	
COc1ccc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3F)c3ccccc3n2)cc1	726367381	BPENFBQMUBLWBS-UHFFFAOYSA-N	411.436	5.198	30	20	HKED	
CCOC(=O)CCOc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1	727267434	UBJPPZZKDCKPTF-OUKQBFOZSA-N	407.491	5.038	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cccc(O[C@H](C)C(=O)O)c1	727267840	STFPECUEUISEDO-RQWJFSOLSA-N	411.454	5.006	30	20	HKED	
C[C@H](CNCc1ccc(N(C)CCC#N)cc1)Sc1ccc(Br)cc1	731678542	HKCFJZWAWYIXHB-MRXNPFEDSA-N	418.404	5.069	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2cccc3ccccc23)ccc1OC	733639574	FXXRNFAOLDBREY-YLJYHZDGSA-N	417.509	5.090	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SC(F)F)cc2)cc(Br)c1O	734979334	CATJCVFEFGCNQA-UQCOIBPSSA-N	415.255	5.374	30	20	HKED	
C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1cc(Cl)ccc1F	735320520	WGCXRQGBWLAMCC-NSHDSACASA-N	413.301	5.295	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	739179459	DNVKJNQMRHHQQR-XHDPSFHLSA-N	406.404	5.509	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1	739445753	RJCVEJMTGUNJND-QGZVFWFLSA-N	405.592	5.798	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](c2ccc(OC)cc2)c2ccccc2Cl)c1	739458144	CXKOOGHLQZDPIL-JOCHJYFZSA-N	406.938	5.406	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(F)c(Br)c3)c2)s1	740013329	DLTUCUMBGZNTFI-UHFFFAOYSA-N	401.304	5.478	30	20	HKED	
CC(C)[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	740540041	XQMJYNPFTHLKGO-IAGOWNOFSA-N	410.489	5.779	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3c(O)cccc3C2=O)cs1	742434985	PAROXQDLMGUYFZ-VBKFSLOCSA-N	404.491	5.054	30	20	HKED	
N#CCOc1cccc(NC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)c1	742548509	FLYHSEYXKJKNGX-UHFFFAOYSA-N	413.260	5.940	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)c1OC	742638752	PTDSHRQFUDJXMU-LJQANCHMSA-N	418.493	5.256	30	20	HKED	
CC(=O)Nc1ccc(OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(F)c1	742834685	ZLDOZOCWBIGZDQ-UHFFFAOYSA-N	420.465	5.167	30	20	HKED	
CCCOc1ccc(CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1OCCC	747200184	DXUMRCZLODQWPD-FQEVSTJZSA-N	402.494	5.231	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(CC)o2)cc1C#N	752306209	UPEMATGNFKAVLW-HXUWFJFHSA-N	424.501	5.431	30	20	HKED	
COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1F	755611948	VHJDYBOEKLUMCK-SMJHDNPOSA-N	400.862	5.377	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccnc(Cl)c1	757937130	NBIQKZHNYKUFCC-DJWKRKHSSA-N	411.836	5.411	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc(-c2ccncc2)cs1	759269783	WWKTWNABWOMFEO-OOFWQKGWSA-N	416.893	5.296	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1	770338243	UXYSMLYZIPUTEE-OXQOHEQNSA-N	400.954	5.129	30	20	HKED	
Cc1cc2c(cc1C)[C@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CO2	770846394	IJYNQMVDIRJZER-ZWKOTPCHSA-N	408.910	5.433	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	771262088	USFIPRWMTZCSMW-HNNXBMFYSA-N	400.425	5.514	30	20	HKED	
C[C@H](NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccc(OCC#N)cc1	776158971	GMXRXOMKBWHIDF-LBPRGKRZSA-N	415.868	5.099	30	20	HKED	
COc1cc(C2SCCS2)ccc1OCc1ccc(C#N)cc1Br	778024340	OXLZDXOGDKILOL-UHFFFAOYSA-N	422.369	5.387	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc(-c2ccc(C3(C#N)CC3)cc2)n1	779596374	UXLFKAZUMSUMRU-SFHVURJKSA-N	408.502	5.144	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl	780152135	CCOBTWXMSNQWBS-CQSZACIVSA-N	413.905	5.258	30	20	HKED	
Cc1[nH]c2ccc(Cl)cc2c1C=Nn1c(S)nnc1CSc1ccccc1	782241948	VYVFHKRNKLQBIW-UHFFFAOYSA-N	413.959	5.184	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2C)nc1C)c1ccccc1	787033704	WPZAYNXRJXRNIB-WOJBJXKFSA-N	417.534	5.017	30	20	HKED	
Cc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Cl)c1	790769379	RKSNADGUUOJHMS-ZDUSSCGKSA-N	402.853	5.469	30	20	HKED	
N#Cc1ccc(COC(=O)c2ccsc2NC(=O)c2ccccc2Cl)cc1F	791375033	SLMQAWXPJLPFKP-UHFFFAOYSA-N	414.845	5.022	30	20	HKED	
N#C[C@H](C(=O)Cc1cc(F)c(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1	793128254	XZFLYGNEWIRMEK-CYBMUJFWSA-N	406.816	5.300	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1	802043199	SWRRZLVKPDXJEA-RBUKOAKNSA-N	420.406	5.406	30	20	HKED	
N#C[C@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	802044734	CMYWCHQQOUONQK-WBVHZDCISA-N	404.388	5.716	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1	806348854	GWEOLUVDPZSYPP-HNNXBMFYSA-N	421.394	5.158	30	20	HKED	
COc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1C	812394519	SUKHCOPSCSCNNG-UHFFFAOYSA-N	423.925	5.286	30	20	HKED	
Cc1csc(SCc2c(C(=O)OCc3cccnc3C#N)oc3ccccc23)n1	813165655	MPURVCZGUIGAJA-UHFFFAOYSA-N	421.503	5.114	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(OC[C@H]4CCCO4)CC3)n2)cc1	815910636	CQFYDOIBCIZBNG-TZWRJOPASA-N	424.566	5.049	30	20	HKED	
CC1(c2nc(-c3ccc(F)c(F)c3)no2)CCN(c2ccc(Cl)cc2C#N)CC1	904366229	ATPHSUOJZJNEFL-UHFFFAOYSA-N	414.843	5.098	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)/C=C\c1ccccc1C#N	913287129	UNKJTGFNTLMZTJ-OWBHPGMISA-N	424.928	5.312	30	20	HKED	
O=C(/C=C\c1ccco1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	916845152	OJGPDQCBQCPCSE-QXMHVHEDSA-N	402.500	5.913	30	20	HKED	
N#C[C@H](C(=O)CCn1ccc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	916904860	JRPRXABBICSLMY-OAQYLSRUSA-N	423.472	5.171	30	20	HKED	
C[C@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	916919378	WXDZTTKHSQUUET-WMLDXEAASA-N	408.910	5.321	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CN3CCCCC3)cc2)cc1	916956152	YAVWXGZKAUYRNQ-DVECYGJZSA-N	417.553	5.147	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917042714	GAMWYRSQNVUCGF-HNNXBMFYSA-N	422.859	6.168	30	20	HKED	
CCc1oc2ccccc2c1C=NOCc1cccc(C(=O)NCc2ccco2)c1	917623358	YXEWYUJURTUFAM-UHFFFAOYSA-N	402.450	5.069	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1	1786912337	SPJRUSZBKVLWGE-CCEZHUSRSA-N	404.510	5.195	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)cccc4[nH]3)CCC2)cc1	1791583578	MLJDDUGONBMPHC-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccccn3)cc2)CCC1	1791941705	QBXWIGCCRZPHOM-DENIHFKCSA-N	417.553	5.088	30	20	HKED	
C=CCSCC(=O)N1CCCC2(CCN(C(=O)CCCCCC(C)(C)C)CC2)C1	1806677361	ZFQPDEMENQNNAV-UHFFFAOYSA-N	422.679	5.133	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1	1831377066	UPUCWZFELULCBG-SQJMNOBHSA-N	424.629	5.184	30	20	HKED	
O=C(/C(=C(\S)NCc1ccccc1)[n+]1ccccc1)c1ccc(-c2ccccc2)cc1	6017263	VNJGGGNBKMPKPC-UHFFFAOYSA-O	423.561	5.370	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1	6531635	WUMZCMDVCVNUID-UHFFFAOYSA-N	400.482	5.296	30	20	HKED	
N#CCCSc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1	7558753	PNPKSXSNVDIYAH-UHFFFAOYSA-N	403.532	5.179	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nc2ccccc2c1=O	8282437	STDXRQZDZONASQ-IAGOWNOFSA-N	421.566	5.215	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2)c1	11263932	RBMTUEULLDMMOI-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
COc1ccc(Br)cc1-c1nc(COc2cccc(C#N)c2)cs1	58869394	SDOAPFKYGHGNAA-UHFFFAOYSA-N	401.285	5.032	30	20	HKED	
C=CCc1cc(CNC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc(OC)c1OC	65389286	DTKNHDDWLVZOFH-UHFFFAOYSA-N	423.340	5.081	30	20	HKED	
CCN(C[C@@H](C)C#N)Cn1nc(-c2cccnc2)n(-c2ccccc2C(C)C)c1=S	110493576	CFSNMGXELCQQRJ-SFHVURJKSA-N	420.586	5.028	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3cccc(Cl)c3)n2)cc1	111018950	XGYCXLKEPSPLSQ-UHFFFAOYSA-N	411.914	5.423	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc([N+](=O)[O-])c1	146985486	CSYDKHXQZWKWLO-CYBMUJFWSA-N	405.357	5.022	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl	303270907	HHABCWODDQHEOJ-KBPBESRZSA-N	407.366	6.062	30	20	HKED	
C[C@@H](C1CC1)N(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccccc1	303349627	DWUYMBMQXOOPOQ-MOPGFXCFSA-N	407.583	5.320	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1nc(C(C)(C)C)cs1	303368700	JHKCOTOJIOPZPA-AWEZNQCLSA-N	402.589	5.057	30	20	HKED	
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O)C[C@H]1O	328578452	LWQQLNNNIPYSNX-RPBGMOQSSA-N	412.614	5.091	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC(c4ccc(Cl)cc4Cl)CC3)o2)c1	428743720	KISVYCULHLZASN-UHFFFAOYSA-N	413.308	5.295	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1	433022245	UKDYRGLSGMDMLG-QFIPXVFZSA-N	415.562	5.801	30	20	HKED	
O=C1CCc2cc(NCc3cc(F)cc(C(F)(F)F)c3)ccc2N1CC(F)(F)F	436400427	NUXCLZXBLBPFIL-UHFFFAOYSA-N	420.328	5.298	30	20	HKED	
C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438649282	MEBVYTCKFRDEPH-SFHVURJKSA-N	424.520	5.266	30	20	HKED	
N#Cc1c(NC(=O)c2cc(F)c(F)cc2Br)sc2c1CCCCC2	441294362	GVBRNYQZSRKCHW-UHFFFAOYSA-N	411.271	5.182	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Br)s1	443316270	OWBWKOTXNNZJDB-CQSZACIVSA-N	420.376	5.311	30	20	HKED	
Cc1noc(C2CC2)c1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	444834458	HGEREHSHAZJMIQ-UHFFFAOYSA-N	406.417	5.094	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1sc(-c2ccccc2)nc1C	460371487	BRBSCEVIERADSY-IEBWSBKVSA-N	423.586	5.335	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1	460792212	LFEJSYILXPNGBG-HXUWFJFHSA-N	422.529	5.090	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@H](C4CC4)C3)cc2Cl)cc1	462257761	QRFNZJRCMOYDTR-UWJYYQICSA-N	411.889	5.083	30	20	HKED	
CCCC(=O)Nc1cccc(N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1C	467756308	GBKBRFLDECVKMC-HXUWFJFHSA-N	420.557	5.098	30	20	HKED	
COc1ccc(N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	467759389	OSLCHBFXGQTAEE-UHFFFAOYSA-N	406.482	5.275	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	467864779	CRSJPGDGGGKZSJ-DDHJBXDOSA-N	421.259	5.019	30	20	HKED	
CCC[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1F	468499878	BCLLNPDRVAGTDU-CYBMUJFWSA-N	418.328	5.332	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CNc2cccc(Oc3ccccn3)c2)ccc1Cl	470547199	QCVWUHZGBDZDQB-UHFFFAOYSA-N	420.900	5.195	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1nnc(-c2ccc(Cl)cc2)o1	471619573	PCHICIJMRSUWRA-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
CC(C)(CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)Cc1ccc(Cl)cc1	473570794	RPKYNMLZZYOSOL-UHFFFAOYSA-N	410.945	5.240	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(SCCOC)cc1	475544681	BJTCBJQJNSDRJK-SFHVURJKSA-N	412.599	6.160	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F	475571088	UKRMRUKCNAQFAB-UHFFFAOYSA-N	415.528	5.412	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)c(F)c1	477738238	ABEKYLDOXWYKEV-ZDUSSCGKSA-N	416.312	5.108	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)cc1	479597573	DOIHSNGMOOPCHD-UHFFFAOYSA-N	419.453	5.115	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N	480584750	XTGXGAIWOJVKDL-SXGZJXTBSA-N	417.962	5.632	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnn(-c2ccccc2F)c1C	481015139	HWKMFRLXVFEIKU-UHFFFAOYSA-N	404.898	5.255	30	20	HKED	
Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2n1C	483463534	SIKFUYGEQVWMHR-INIZCTEOSA-N	406.898	5.149	30	20	HKED	
COc1ccccc1-c1csc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1	485121648	PJVPFJHWCKYLHH-KRWDZBQOSA-N	403.551	5.631	30	20	HKED	
Cc1ccc2ncc(C#N)c(OCc3nnc(-c4c(-c5ccccc5)noc4C)o3)c2c1	488284367	YOVFRXWCXIKXSX-UHFFFAOYSA-N	423.432	5.007	30	20	HKED	
C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Oc2cccnc2)cc1	489879082	ACDJPKBBOYPRGO-HXUWFJFHSA-N	412.537	5.061	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Nc2cc(C3CCCC3)[nH]n2)cc1	494542969	ADMBBOMGXVSQAO-UHFFFAOYSA-N	415.497	5.356	30	20	HKED	
CCN(CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1	497610747	KZIJANHBQPQOOH-LSDHHAIUSA-N	404.341	5.125	30	20	HKED	
Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	501011525	RCBBZWDRQCGRIF-CYBMUJFWSA-N	409.873	5.142	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)c2)cc1	501419438	GLZRWJCSNKMJDC-OALUTQOASA-N	416.443	5.639	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1	505938917	QXVWRRCTNKUFDD-KRWDZBQOSA-N	402.306	5.040	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COc1cccc2cccnc12	509091534	AEUXUXNTIDJLSJ-UHFFFAOYSA-N	409.445	5.225	30	20	HKED	
CSc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	509207463	BGCYUYXFMOPXCI-UHFFFAOYSA-N	401.919	5.009	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510090653	ZZHZAMXEYSUSEC-INIZCTEOSA-N	422.344	6.136	30	20	HKED	
Cc1sc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(C#N)c1C	515285065	NDGHLEQKWQQIBN-UHFFFAOYSA-N	424.909	5.139	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1	517467164	NWSXYJBEGGEAOF-XLIONFOSSA-N	423.582	5.171	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	518030479	WLDCHHYYAVROEV-LOSJGSFVSA-N	414.480	5.038	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	519909288	QJBVMNHDMXWSFN-NRFANRHFSA-N	404.539	5.611	30	20	HKED	
C=CCc1ccc(OCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)c(OC)c1	520303200	CHLONYMKYKCMCS-UHFFFAOYSA-N	415.449	5.240	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1	520924016	DMLLSPHOJINCTJ-XOKHGSTOSA-N	415.356	5.586	30	20	HKED	
C[C@@H](NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc(C#N)cc1	521572363	ORFIKCOLFCEJRU-IVZQSRNASA-N	408.473	5.547	30	20	HKED	
C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1ccc(C#N)cc1	522822760	QRJIKYTUPOSLOG-HNNXBMFYSA-N	409.946	5.246	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Oc2ccccc2F)c(F)c1	523499588	ZNJYDGVEIKQTGF-UHFFFAOYSA-N	402.404	5.244	30	20	HKED	
COc1cc(CSc2nnc(C(C)(C)C)o2)ccc1OCc1cccc(C#N)c1	523932344	MDWPPCLOEDWPAG-UHFFFAOYSA-N	409.511	5.119	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	523951393	VQKQEOFBNIHPSA-CYBMUJFWSA-N	419.890	5.050	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H](CCCO)c2ccccc2)cc1	534920379	VOGCDTAQULNALN-HSZRJFAPSA-N	416.546	5.094	30	20	HKED	
CCC(CC)n1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	535241386	DIOZDVZODUBFPU-UHFFFAOYSA-N	416.525	5.450	30	20	HKED	
C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1OCc1ccccc1	537125105	WLXHCNDURWFNDS-GOSISDBHSA-N	410.477	5.038	30	20	HKED	
CC1(C#N)CCN(c2ncnc3scc(-c4ccc(Br)cc4)c23)CC1	540940184	BFCMGVBZYXAZHX-UHFFFAOYSA-N	413.344	5.251	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	543562917	BXIFNHDSMBZSSH-HNNXBMFYSA-N	406.511	5.349	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)s1	544749770	FWXDSCCYSPUBHD-NSHDSACASA-N	422.316	5.882	30	20	HKED	
CC(=O)NC1(c2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)CCCCC1	545600353	CXXFJQPGQWNHSX-UHFFFAOYSA-N	418.522	5.055	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	549063090	CIZIEOKONMLZGV-ZCYQVOJMSA-N	410.521	5.285	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	553319787	BYLATFHCOLSXOJ-IIBYNOLFSA-N	409.555	5.631	30	20	HKED	
CC1=C(c2ccco2)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1	558748102	YEWRRJXZXBPKSY-UHFFFAOYSA-N	413.477	5.963	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](c2ccccc2OC)C1	558993673	HRHXQMYSMNLSJL-GOSISDBHSA-N	413.525	5.005	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F	562228873	UFCCOIRMKZFPHM-LJQANCHMSA-N	408.423	5.376	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	565859534	DYTLXJLUUOHWHX-KUHUBIRLSA-N	424.957	5.686	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccccc3CC#N)cc(-c3cccs3)nc21	566314356	OJODTKILYFCXEE-UHFFFAOYSA-N	401.495	5.059	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1c2ccccc2O[C@H]1C	571916635	BNFRWQJQGOOWAN-XDHUDOTRSA-N	413.477	5.089	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1	573738164	XXSFBWYBYJWFBK-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(-c2ccc(Cl)s2)o1	576538160	LFCQOQWBNKPIBT-UHFFFAOYSA-N	424.816	5.440	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cn2)cc1	577826562	MTAAUVCBPUXMGH-LJQANCHMSA-N	410.477	5.538	30	20	HKED	
N#CCSc1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2cccnc12	581457664	GJAGZSZRJXAMOT-UHFFFAOYSA-N	418.305	5.175	30	20	HKED	
C=C(C)COc1cccc(N[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)c1	589633173	LBNMKYSCLVHJAC-XMMPIXPASA-N	402.494	5.442	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)c2cccs2)CC1	592479237	RGBSLONFPIIHAR-FDDCHVKYSA-N	411.615	5.301	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cccc(Oc2ccccc2)c1	598777516	WAIHFORMRJYOLV-LJQANCHMSA-N	415.493	5.235	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)Cc3ccc(C#N)cc3)c3c(C)noc3n2)c(C)s1	603523898	KFQGQUQURRSYCB-UHFFFAOYSA-N	416.506	5.020	30	20	HKED	
C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cc2ccccc2o1	603649982	LYHVYBZZJRWAIR-CQSZACIVSA-N	402.479	5.234	30	20	HKED	
Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603765921	DCJJNAOUGNOPND-QFIPXVFZSA-N	413.908	5.966	30	20	HKED	
N#CC1(NC(=O)CN[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CCCCC1	604011079	UZTZMVDNFKUSPL-OAQYLSRUSA-N	416.352	5.015	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1Cl	608841794	XUBGIXGDHKMYPI-OAQYLSRUSA-N	401.897	5.806	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)cc1	609125396	BBCDWEUDZUQMLG-INIZCTEOSA-N	401.413	5.356	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(OCc4cccnc4)c3)c2)cc1	609177173	KYDCWXXNZVHWLN-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)C2CC2)cc1	609254436	RSMBEXVPILZUPR-UHFFFAOYSA-N	409.358	5.409	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1cccc(Cl)c1	609387434	CQUSBBFIRXZXTP-HNNXBMFYSA-N	420.987	5.342	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1	609431752	LFEWQTUILVXHLR-ZDUSSCGKSA-N	418.444	5.762	30	20	HKED	
N#Cc1c(F)cccc1N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	609443263	TWNJOFBHMSYEKY-HSZRJFAPSA-N	420.532	5.390	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCSc4ccccc43)cc2)cc1	609500764	VQRQMCGQTVKXGB-QFIPXVFZSA-N	400.503	5.512	30	20	HKED	
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N	609866184	UAYNUKPVQDCNGH-QMHKHESXSA-N	404.897	5.385	30	20	HKED	
Cc1nc(C(=O)N(c2cccc(N3CCCC3)c2)C2CCC(C)CC2)ccc1C#N	609905786	XABXBAJIPIXSLT-UHFFFAOYSA-N	402.542	5.087	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@H](c3ccccc3)c3nccs3)c2)cc1	609988235	RIQXGEJQRGZWJP-JOCHJYFZSA-N	410.502	5.278	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	610157272	SQOJJNFHAQNEEP-GJZGRUSLSA-N	406.429	5.333	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl	610792615	CIMMVPMXDIJAEL-KDOFPFPSSA-N	403.935	5.243	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c(Cl)c1	611096874	PISJEVKITMYRKQ-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)CCCC2)c1nc2cc(C(F)(F)F)ccc2s1	613404167	OACCLRASEUURBH-LBPRGKRZSA-N	406.454	5.745	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)N[C@H]1CCc2cc(C#N)ccc21	618845598	FDACCVMQMMEIHJ-VGSWGCGISA-N	401.535	5.580	30	20	HKED	
N#CCCn1cc(C(=O)CSCc2ccc(Br)cc2)c2ccccc21	619608470	YTMRNCVCGZVEKX-UHFFFAOYSA-N	413.340	5.434	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485658	UHYJIGZUGDMXAG-HNNXBMFYSA-N	411.292	5.605	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(O)cc1	642720199	TVXMDRMOTGBLLM-UTKZUKDTSA-N	422.504	5.180	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	679238744	RJNUTHOKKOCJES-OAHLLOKOSA-N	405.429	5.435	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1	682778075	XEUGEMLBXHJOJU-FQEVSTJZSA-N	420.475	6.067	30	20	HKED	
N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2ccccc2s1	726318750	PUWBQVIHNSXBAR-CTWPCTMYSA-N	423.582	5.118	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2cnn(-c3ccccc3)c2)c1	728181379	DUGJEAKUJLEMBJ-UHFFFAOYSA-N	411.530	5.081	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1nc2ccccc2o1	730071102	FNQDQBOOLHIEPS-KSFYIVLOSA-N	402.450	5.677	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)sc2cccc(F)c12	730422427	XQDFZZXEWTYLOM-NSHDSACASA-N	414.458	5.426	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	730898470	BTQGTDRIRUFCND-SANMLTNESA-N	413.521	5.779	30	20	HKED	
N#CC(CCOC(=O)c1ncoc1-c1ccccc1)(c1ccccc1)c1ccccc1	732577759	HEUJEIBWALMCCA-UHFFFAOYSA-N	408.457	5.398	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c1	733787765	WSFNPPASVDLNKI-CQSZACIVSA-N	402.281	5.086	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1	733805818	FSUHIKLHAWMQDE-RHSMWYFYSA-N	420.340	5.577	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1ccccc1Cl	741064252	XQJKHHKHFHOOEK-JOCHJYFZSA-N	421.884	5.168	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	743202715	SCHCGPMRDIFHEH-GOSISDBHSA-N	406.379	5.226	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Br)nc1	746515431	AAQTWGLJEZFIMF-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)/C=C/c2ccccc2C#N)c(C(F)(F)F)c1	748658832	XWHSDANGOQWIQI-ZHZWZMEUSA-N	404.457	6.120	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)c2ccccc2oc1=O	750611491	BQJUWHJKJGKUDI-UHFFFAOYSA-N	424.456	5.113	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)n1	751870891	SDYUXIMPTYUWCQ-OAHLLOKOSA-N	415.971	5.827	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1	752674110	FEQYBXVAEALIRB-SFTDATJTSA-N	420.513	5.337	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC	754689501	HRELZEXTYOKYOG-DAXSKMNVSA-N	400.780	5.281	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	757883024	GMOXMVGSZKGPNZ-CQSZACIVSA-N	414.914	5.121	30	20	HKED	
C#CCCOc1ccc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1	770577168	SGDDGECETLUKTH-GDLZYMKVSA-N	403.547	5.150	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1	771115024	NYOVUPITUHXSAF-BVAGGSTKSA-N	409.489	5.005	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CCC2	780412103	DZRARKUMWFVITF-QFIPXVFZSA-N	415.497	5.327	30	20	HKED	
C[C@@H]1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C1(C)C	781452649	UDALHQYIFOTWCN-RAIGVLPGSA-N	408.445	5.133	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)Nc1ccccc1SC[C@H](C)C#N	793461086	MTKOLIILPALTRD-SNVBAGLBSA-N	413.540	5.199	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C(F)(F)F)s1	796794062	XRODGJRZDQXHED-SNVBAGLBSA-N	407.200	5.035	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2ccc(Br)cc2F)s1	797566268	DPWHNQOEORVGND-CYBMUJFWSA-N	409.324	5.151	30	20	HKED	
Cc1sc2ncnc(SCC(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2c1C	797571714	VDRFUCUGBULYMM-LBPRGKRZSA-N	416.597	5.031	30	20	HKED	
Cc1oc(C#N)cc1C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1	797947897	YQVSQUVNTKOEHG-AWEZNQCLSA-N	402.166	5.073	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	798489230	ZLYZTVLHRDLYRB-BDJLRTHQSA-N	416.321	5.089	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	806204484	LMCVKCIIWWISDJ-QHCPKHFHSA-N	411.505	5.003	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1	806591321	XZONJAGTGPAPBR-LBPRGKRZSA-N	411.880	5.490	30	20	HKED	
CCO[C@H](c1noc(CSC(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F	809532620	IAAMNGOUPDLLSA-NSHDSACASA-N	404.307	5.106	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccc(F)c(Br)c1	813057844	RTZYRCNWBBRTKA-WCQYABFASA-N	417.303	5.568	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1cc(C(F)(F)F)ccn1	813218373	VGHUHAPNPFOQLK-QWUACUGRSA-N	400.400	5.311	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3cccc(Cl)c23)cc1	815909441	ABZVGHJBOMYVHK-KDOFPFPSSA-N	407.901	5.225	30	20	HKED	
CC(C)(C)c1nnc(S)n1N=Cc1ccc(-c2ccccc2Br)s1	912786347	FRRVGZSPWYDDJP-UHFFFAOYSA-N	421.389	5.238	30	20	HKED	
FC(F)(F)c1ccc(CNN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1	915972959	XIDOYLLIJXRVKZ-UHFFFAOYSA-N	421.426	5.077	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cccs1)C(=O)Nc1ccccc1Oc1ccccc1	916904997	KSDUHGTVEQTNQO-IBGZPJMESA-N	404.491	5.211	30	20	HKED	
Cc1cc(C)c(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917045591	YGKMCGISSJNKPS-HNNXBMFYSA-N	418.440	5.496	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(C(F)(F)F)cc1	920113419	WISYJNYAJWAHKQ-XHDPSFHLSA-N	422.859	6.339	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nnc(C(F)F)s1	920228971	HJOYBJMRWKQEPT-UPHRSURJSA-N	417.281	5.165	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)s2)c([N+](=O)[O-])cc1OCC(F)(F)F	921262205	PQNIIYSYIOCCAZ-IHWYPQMZSA-N	421.780	5.156	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4(C)CCC4)cc3)CCC2)c1	1785814839	YTNVWJBGBDLRKC-SFHVURJKSA-N	415.537	5.252	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1	1789456065	JTDQCFBLXAGIGH-QHCPKHFHSA-N	413.521	5.074	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1	1791325013	FMVPCTRDVFGGAM-FGTMMUONSA-N	416.512	5.158	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1	1831366999	DRLKLFNNZLNMKD-VGOFRKELSA-N	416.993	5.094	30	20	HKED	
C[C@@H](C#N)Sc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1	4246843	RBMPOXYHSZSQOX-NSHDSACASA-N	408.836	5.611	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)c(C)c1	10168986	DXVAEYMQWWGSOI-UHFFFAOYSA-O	409.600	5.629	30	20	HKED	
COc1ccc(NC(=O)[C@@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)cc1	16119433	CHZDKBOERSYJIN-NRFANRHFSA-N	403.507	5.051	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)OCc2nc(-c3cccs3)oc2C)cc1OC	22981382	WJIOMOVIJFFJIV-CSKARUKUSA-N	411.479	5.042	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nc3scc(-c4cccs4)c3c(=O)n2C)cc1	24725014	QDODHKRGEZUPBZ-HNNXBMFYSA-N	423.588	5.259	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	30271710	FZVMXMWDQYOLIE-MRXNPFEDSA-N	415.518	5.159	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1/C(O)=N/c1nc(C(F)(F)F)cs1	31509573	CCHMYNDZLNCREZ-UHFFFAOYSA-N	401.410	5.293	30	20	HKED	
CCCCN(C)c1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	109384843	DVHSDWHNZDYWIN-UHFFFAOYSA-N	414.509	5.543	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1	110993937	TVZOMXNPWJJFAX-UHFFFAOYSA-N	420.340	5.352	30	20	HKED	
C=CCn1c(-c2sc(NC(=O)c3occc3-c3ccccc3)nc2C)n[nH]c1=S	111191727	FGKKKNPEJAWRDQ-UHFFFAOYSA-N	423.523	5.071	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2ncc(-c3ccccc3)o2)c1	303161025	HQPXWCAOBAXSSP-UHFFFAOYSA-N	412.514	5.550	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	303270948	HIGCJQTXFNLOKW-FVQBIDKESA-N	404.457	5.699	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc(F)ccc1Br	303279415	LUCHCEMVOSHZOR-UHFFFAOYSA-N	418.335	5.249	30	20	HKED	
O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CC1	303652349	FHGXZFKMZNBSHF-UHFFFAOYSA-N	419.287	5.080	30	20	HKED	
CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1SC[C@H](C)C#N	427606164	HZXVQOJPRKIHJZ-CYBMUJFWSA-N	423.460	5.392	30	20	HKED	
Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(OC[C@@H]2CCCO2)c1	429886812	JYSXYDTYWDWHLO-KRWDZBQOSA-N	406.507	5.200	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	432807836	YKHAFSVLKHHJAL-XMMPIXPASA-N	410.477	5.907	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1OCCc2sccc21	432896553	HQIFJIATTLOUBB-OYHNWAKOSA-N	404.491	5.301	30	20	HKED	
CC(=O)N(c1nc(CN(C)CC(C)(C)C#N)cs1)c1c(C)cc(C)cc1Cl	433318576	LYLXTTWDQHKGKP-UHFFFAOYSA-N	404.967	5.080	30	20	HKED	
CCSCc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	434622590	GJRQXGDLQIEQSO-IBGZPJMESA-N	408.548	5.562	30	20	HKED	
Cc1cccc([C@H]2CCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C	438044712	NKQVGHKIKJFXDH-VGOFRKELSA-N	407.583	6.314	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(Br)c1)c1ccccc1	438848769	QIQGHUUHMMEOMI-WOJBJXKFSA-N	412.331	5.341	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cnccc3-c3cccc(F)c3)c2)cc1	439666526	VXSZAUIUPNEPCT-UHFFFAOYSA-N	423.447	5.591	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nc2ccccc2o1	442686591	XAFBRGVOQCNDAI-OAHLLOKOSA-N	423.255	6.417	30	20	HKED	
CC(C)N(CCCCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F	444657369	KJQXQDRTIDIXKI-UHFFFAOYSA-N	417.903	5.728	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N(c3ccccc3)C3Cc4ccccc4C3)on2)c1	448192081	UHEVRVFTTBOJII-UHFFFAOYSA-N	405.457	5.027	30	20	HKED	
CCN(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1	461513855	GQOHSGMGPHXKGW-UHFFFAOYSA-N	424.507	5.049	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	464172810	YUDJXTWOBGNQGY-IBGZPJMESA-N	414.505	5.257	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1	464936852	DFVRZOVNHHRVAX-CZAAIQMYSA-N	400.444	5.497	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1Cl	468558768	DUNDMRHHPHJOSL-UHFFFAOYSA-N	422.655	5.338	30	20	HKED	
CSc1cccc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	473986501	CFOXOBYODGCXDE-UHFFFAOYSA-N	419.525	5.962	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	475017384	QRIIUBSYSDYMMV-INIZCTEOSA-N	418.419	5.080	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	475525399	JSIOVFAXLPQUJR-XXBNENTESA-N	416.500	5.357	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C[C@H](CC#N)c3ccccc3)s2)cc1	476061884	OBSSMXFLQWTAOQ-UZLBHIALSA-N	419.550	5.392	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C	478869177	VIEISOBKJOSINO-KRWDZBQOSA-N	404.489	5.016	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	480801126	FTVVLWDBRBCVQX-KBXCAEBGSA-N	403.404	5.545	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ncc(-c2ccccc2F)o1	481352667	ZSWCOXICTOHYAE-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
Cc1nc(-c2ccc(C)c(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)n[nH]1	482808725	AGIMNRJGJOEGJX-UHFFFAOYSA-N	409.449	5.005	30	20	HKED	
N#Cc1ccc(/C=C(\CC(=O)O)c2nc3cc(Br)ccc3s2)s1	484449817	XOQLXCGPUDBHMJ-WEVVVXLNSA-N	405.298	5.007	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1cccc(OC)c1	488916849	YFIMMIBIHVNJQY-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCOC4(CCCCC4)C3)cc2)cc1	488975528	KDYBQIFNURWDLE-NRFANRHFSA-N	404.510	5.157	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1C	491722509	QZPLJVUNSNUUHA-UHFFFAOYSA-N	415.493	5.640	30	20	HKED	
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	501448530	HOHXKHBJYZWSLY-LJQANCHMSA-N	400.478	5.046	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	502238407	XHCXDKPUYCQJHB-OAQYLSRUSA-N	418.884	5.598	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503457366	FEUKUUMDOCXVEM-UHFFFAOYSA-N	416.525	5.173	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccccc3COCc3ccccc3)CC2)cc1	503643592	NDDNPLZNBUFLLO-UHFFFAOYSA-N	423.516	5.596	30	20	HKED	
C=CCn1c(SCCOc2c(Cl)cccc2Cl)nnc1-c1cccnc1	503698004	GIIUQLNQMZGABZ-UHFFFAOYSA-N	407.326	5.004	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1cccnc1	503711896	PGXQUQFSOCUIQZ-JOCHJYFZSA-N	412.518	5.242	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c2c1	508118098	ZRLGEVMULOKYCY-UHFFFAOYSA-N	401.466	5.032	30	20	HKED	
CCN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)[C@H](C)c1ccc(C#N)cc1	508671071	KEFGGXRPYCGTRT-HXUWFJFHSA-N	407.521	5.389	30	20	HKED	
Cc1nc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)sc1SCC#N	508984269	XAQZCHNCBQYKIB-UHFFFAOYSA-N	405.976	5.561	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc(C)nc21	508987523	NKVLJALCHOTUQX-HNNXBMFYSA-N	415.522	5.563	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1	510031033	ZSAMSGJMSPRJEX-VWLOTQADSA-N	411.505	5.290	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(NC(=O)C(=O)NCCCCC#N)c(Cl)c2)cc1	510327881	UFYPUZNXKDHOLD-UHFFFAOYSA-N	411.933	5.053	30	20	HKED	
COc1ccc(CN(CC2CCC2)C(=O)N[C@@H](CCC#N)c2ccccc2)c(OC)c1	511561659	QWYXTGQZZGHRPX-QHCPKHFHSA-N	421.541	5.061	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1SC(C)C	511577784	RFJJQMHKQXNSLZ-UHFFFAOYSA-N	402.519	6.412	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCCN(C2CCC2)C1	512831705	HDPPLRUDXGAXSY-QUCCMNQESA-N	418.541	5.125	30	20	HKED	
C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1	515605488	FZRCBOQEJJSRLN-UHFFFAOYSA-N	423.494	5.352	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1	517528723	FSZRPKUNRFSLSE-MRXNPFEDSA-N	414.962	5.088	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	517605598	MROJOTBDNFOQIO-INIZCTEOSA-N	401.215	5.326	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCC3(c4ccc(Cl)cc4)CCC3)cc2)nc1	518399426	PJDYPPHBWDOBRT-UHFFFAOYSA-N	417.896	5.251	30	20	HKED	
N#Cc1ccccc1OC1CCC(NCc2c[nH]nc2-c2ccc(Cl)cc2)CC1	518450437	XOFCGNHLYALPMR-UHFFFAOYSA-N	406.917	5.082	30	20	HKED	
CCCCc1nc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2[nH]1	518907324	ZEZWXVLMVTZMRQ-UHFFFAOYSA-N	411.465	5.217	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	519515625	ONAXEUSYJRTMQC-KBMXLJTQSA-N	404.457	5.842	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(c4ccccc4)CC3)cc2)c1	520196775	BVTRJCUNEFTDOE-UHFFFAOYSA-N	412.493	5.141	30	20	HKED	
C=C1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)CC1	522636009	HPFVEMWQQZFJCB-UHFFFAOYSA-N	412.489	5.523	30	20	HKED	
N#Cc1c(Cl)cccc1SCC(=O)Nc1ncc(C(F)(F)F)cc1Cl	537842076	WPPKQPWAOMBUIY-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
Cc1nc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)sc1SCC#N	538677452	AWYSTEAJSXLJNA-UHFFFAOYSA-N	422.507	5.030	30	20	HKED	
COCCOc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	541063392	LMCMTAYPRWMCMB-IBGZPJMESA-N	416.521	5.110	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1	541421963	RMWLSYQTWIXADO-OAHLLOKOSA-N	407.333	5.444	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(-c2ncco2)c1)c1ccc(-c2cccc(C#N)c2)cc1	542028999	FHBLCAJHHHWHMQ-KRWDZBQOSA-N	408.461	5.763	30	20	HKED	
N#Cc1ccc(/C=C/c2nc(Cc3nc(-c4c(F)cccc4F)cs3)no2)cc1	547074905	ISNDIMVUGPQUTR-CMDGGOBGSA-N	406.417	5.104	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1	554714148	QQCLIMNCTSXKBZ-NVXWUHKLSA-N	406.835	5.723	30	20	HKED	
C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)c2ccccc12	558654490	FYUAMSNWILRPPO-KRWDZBQOSA-N	418.928	5.216	30	20	HKED	
Cn1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CCC1	559052980	ATRHJJAIQGCJET-NRFANRHFSA-N	403.913	5.854	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3cccc(CSC4CCOCC4)c3)CC2)cc1	561950279	FWHFLTVQJNSARK-UHFFFAOYSA-N	407.583	5.051	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F	562013674	ZPLJNMYLRAFWHH-VIFPVBQESA-N	408.317	5.164	30	20	HKED	
N#Cc1ccc(CNc2cccc(CSC3CCOCC3)c2)c(C(F)(F)F)c1	564411287	QFMMSAKKPBXWPX-UHFFFAOYSA-N	406.473	5.601	30	20	HKED	
N#Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1C(F)(F)F	571081562	LBJVSVSQSQRSEZ-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571132380	CNQWCICMFAWDAB-ZWKOTPCHSA-N	414.509	5.698	30	20	HKED	
N#Cc1ccc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)c(C(F)(F)F)c1	575167638	LMBBTKZGYTUJNT-GDLZYMKVSA-N	414.452	5.497	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1	582082188	AEGQBXVNGIGVTF-LJQANCHMSA-N	404.938	5.759	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	590668782	APRCOSXHVHUJPP-FRRDWIJNSA-N	421.303	5.312	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)C)cc1	603705771	UYPBPQMUDVUIPI-VFNWGFHPSA-N	411.933	5.177	30	20	HKED	
C=CC1CCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)CC1	606197791	LDGSUCHBTQQVHG-UHFFFAOYSA-N	415.415	5.255	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)c2)cc1	609641337	QOCHVSFBMKYORW-JOCHJYFZSA-N	418.493	5.243	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1	609729508	HEHXQVXBVFJTDJ-HXUWFJFHSA-N	405.816	5.138	30	20	HKED	
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	610019391	NVSXFSANNDQYEF-MSYCTHLASA-N	407.583	6.394	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)c1	611355635	FRZCWTWQGWZSJO-ROUUACIJSA-N	424.928	5.283	30	20	HKED	
N#C[C@@H](C(=O)c1occc1CSc1ccccc1)c1nc2cc(Cl)ccc2s1	613407101	IYAKFDWHWLTKIX-INIZCTEOSA-N	424.934	6.325	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1cccc(C#N)c1	619529953	HZWFRKXUWPAARY-DJJJIMSYSA-N	416.294	5.068	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1cnc2ccccc2n1	671780116	ZAENVLSCFBEVST-OAQYLSRUSA-N	400.441	5.335	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678208192	NEJQQLUREDBSEE-OKILXGFUSA-N	423.376	5.191	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	685542561	BYGQKJJJSDIWPI-LVFSCSRESA-N	420.479	5.168	30	20	HKED	
C[C@]1(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCCc2ccccc21	726327440	ALXLVPPIDYNSFA-CMJOXMDJSA-N	408.473	5.559	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1	726695105	CBKLCQSPVROINZ-DSNGMDLFSA-N	411.505	5.384	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cccc(OCCCC#N)c3)s2)cc1	727975835	WRAQOTMSXZRABF-MDWZMJQESA-N	418.518	5.706	30	20	HKED	
C=CCOc1ccc(C(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)cc1OC	729214742	VALAGKSANVJDHD-UHFFFAOYSA-N	423.490	5.101	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1	730171934	GSXZEJVDGULQPD-UHFFFAOYSA-N	419.412	5.310	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1	730416862	JAZAJESNARUAPX-INIZCTEOSA-N	407.495	5.286	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=S)Nc3ccccc3C#N)cc2)cc1	730957132	HREXGFUJJBASBI-UHFFFAOYSA-N	403.507	5.348	30	20	HKED	
N#CCCSc1ccccc1NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl	730982530	SNNMCEDYNMPLIN-RMKNXTFCSA-N	410.848	6.016	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1	732427889	LYNHFEVRJZDGRO-WAIKUNEKSA-N	419.456	5.042	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2sccc2C)cs1	733748602	DOWMTKBYVLLMSW-YVMONPNESA-N	402.928	5.747	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)c1ccncc1	734457990	RLHQFQLLBSWZLL-SFHVURJKSA-N	404.514	5.131	30	20	HKED	
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccccc1Sc1ccccc1C#N	741935150	WUYCDQWLCJBXFA-UHFFFAOYSA-N	423.881	5.832	30	20	HKED	
C/C(=C/C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)c1ccccc1C(F)(F)F	741948682	OYWFPAKIDCQHNH-OWBHPGMISA-N	424.426	5.422	30	20	HKED	
CCN(C)Cc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	747307350	ZFRBIAXKDOCLGX-RUZDIDTESA-N	412.537	5.115	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1cnn(-c2ccccn2)c1C	748252378	RTARKFDOQPXJRD-UHFFFAOYSA-N	416.432	5.040	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Cl)c1	750683677	ICFNRWNSILZNAX-KQPPXVQYSA-N	420.868	5.406	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1	752638034	WICVVOLKRODCFN-LOSJGSFVSA-N	413.496	6.240	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc2ccccc2c1	753392484	BZSRGHKJFQJPEJ-BEFAXECRSA-N	420.896	5.261	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cc(Cl)sc1Cl)C(=O)Nc1ccccc1Cl	756234577	WPJYXYMQSINIFS-NSHDSACASA-N	415.729	5.379	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ccc(F)c(F)c3)n2)cc1	756243752	MVKSFADYFKDMII-KRWDZBQOSA-N	407.445	5.159	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCC(=O)c3cc(Cl)sc3Cl)[nH]c12	756289085	FFFXGVKJJDRCQH-LLVKDONJSA-N	406.294	5.079	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1	759431590	LHPKFHDIMZPRBF-CQSZACIVSA-N	424.369	5.070	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)Cn2c(C3CCCCC3)nc3ccccc32)n1	762077683	TUQALTFIPLYTIF-KRWDZBQOSA-N	406.555	5.540	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(C#N)s3)cc2)s1	762443863	SNWQDRLGGKBMNU-NXZHAISVSA-N	400.484	5.345	30	20	HKED	
O=C(Cc1csc2ccccc12)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764751048	ZBNPHRLSSJSTGG-UHFFFAOYSA-N	406.294	5.158	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ncccc1O[C@@H](C)c1ccccc1	771820106	KFUGBIBSCXOPBO-IRXDYDNUSA-N	402.454	5.156	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccc(Cl)s2)n1	774319701	HXHVMQBBQSGLCH-LLVKDONJSA-N	410.854	5.095	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1	777467551	NHIOYSAHSAKLST-JXMROGBWSA-N	416.447	5.241	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	780170168	XGOPBAAUHFQEQM-HNNXBMFYSA-N	417.852	5.547	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc2ccccc2[nH]1	788415370	ODLSJZRWTVUAJQ-UHFFFAOYSA-N	418.909	5.450	30	20	HKED	
CCN(Cc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)OC(C)(C)C	793090959	FEEAYJGMWFNJQG-UHFFFAOYSA-N	421.541	5.497	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1NC(=O)c1ccccc1	796673243	QYLZDZXKIUSBQH-SIKLNZKXSA-N	412.489	5.631	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCSc1cccc(Cl)c1	808979860	NYRKBPZEOVQQHQ-LJQANCHMSA-N	414.958	5.295	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)Cc1cccs1	809911478	PHOHKDNIJZEDPQ-UHFFFAOYSA-N	411.918	5.041	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)cc1	813020343	OYGWNCVDOUDPHT-XMMPIXPASA-N	409.489	5.187	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1	915338738	GZMDIVXHWXLBDQ-UHFFFAOYSA-N	421.570	5.343	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ccc(F)cc2)c1	916268094	JPNCXBKPDRALNJ-UHFFFAOYSA-N	416.456	5.142	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12	916915375	IVDIVCMADIQATG-LJQANCHMSA-N	408.910	5.323	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1C1CCCCC1	916916937	BZBLOMMHLFBBRQ-HSZRJFAPSA-N	413.521	5.725	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	916946580	YVUIPRZYZRVBPA-QGZVFWFLSA-N	407.322	5.455	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)n2)cc1	916974378	JORKYTITECWYOU-IIBYNOLFSA-N	402.519	5.251	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)nc(Cl)c2)cc1	917804089	LBJFDAAZPGIBGB-UHFFFAOYSA-N	412.276	5.286	30	20	HKED	
N#CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cc1	920408187	YOUXYONVJGVYCS-OAQYLSRUSA-N	423.394	5.379	30	20	HKED	
CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	921035168	MXEGNFLMRGKDEW-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3S)cc2)CCC1	1785842498	VMGSNVZBOOIFFI-UHFFFAOYSA-N	423.582	5.110	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CCC2)cc1	1787887685	RCIWTUFLFDLBNV-BVYCBKJFSA-N	407.558	5.031	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3C)cc2)CCC1	1789964714	UUDAXFLTIXOLMX-UHFFFAOYSA-N	417.553	5.215	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCCC4)CCC3)cc2)c1	1792122286	IUKZLYWXVYTIBX-GOSISDBHSA-N	415.537	5.252	30	20	HKED	
C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3ccccc3c1Cl)C2	1801639585	LRKNLUMALUDZIQ-JONQDZQNSA-N	416.974	5.019	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccccc2)CC1	1828829538	IXDLTJPUVSLLIH-NQHRYMMQSA-N	422.613	5.178	30	20	HKED	
CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1	1829956263	BJOBTOXSZCKVCW-YKSBVNFPSA-N	423.601	5.008	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1	18091581	BBJJRNFNVRVNRL-SECBINFHSA-N	424.334	5.456	30	20	HKED	
C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC	21140574	VESOOGKNVPAPAS-OAHLLOKOSA-N	419.554	5.020	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccc(Br)cc3)o2)cc1	24725893	SDVYNAQEYLSENP-INIZCTEOSA-N	400.301	5.035	30	20	HKED	
CC(=O)c1sc(NC(=O)c2ccccc2-c2ccccc2C#N)nc1-c1ccccc1	25725101	IZBSMADQPRVWLO-UHFFFAOYSA-N	423.497	5.804	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2)cs1	41494769	OYPRVHSXQREDCU-KRWDZBQOSA-N	404.520	5.110	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	71907183	LYWXACKZJVHTKT-OAQYLSRUSA-N	403.869	5.206	30	20	HKED	
N/C(=N/OCc1coc(-c2cccc(Cl)c2)n1)c1ccc(Oc2ccccc2)nc1	109943063	WEZHGQWYNKUDPM-UHFFFAOYSA-N	420.856	5.019	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	301425468	TYNYQZOLWHZPNB-UHFFFAOYSA-N	401.451	5.059	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1SCc1cc(C)no1	302812257	JMMAHHGBVPWGGJ-UHFFFAOYSA-N	418.971	5.819	30	20	HKED	
Cc1cnc(-c2ccccc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)[nH]1	427180379	YIPHKHLVFNBNFV-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1Cc1cccc(OCc2cccc(C#N)c2)c1	430881992	GODFZWBIOIAPFG-DEOSSOPVSA-N	400.526	5.081	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cc(Br)ccc1F	433753085	GDFBIJYBCTUXFE-LBPRGKRZSA-N	407.308	5.021	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1	435136093	YIPPEHNTNZQPRR-MRXNPFEDSA-N	411.958	6.055	30	20	HKED	
CC[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1	437556993	MHJIRTGQVHEUEL-RHSMWYFYSA-N	406.473	6.089	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccccc1	439478845	OPOXIVFGOMRULS-SFHVURJKSA-N	421.888	5.434	30	20	HKED	
CCCc1c(NC(=O)Nc2c(C)cc(N(C)C)cc2C)cnn1-c1cccc(C#N)c1	439673270	MLQAIDWVEDQUJK-UHFFFAOYSA-N	416.529	5.023	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccsc2)c2cccnc2)o1	440726333	IBIUZCBDZQVBDT-UHFFFAOYSA-N	415.474	5.034	30	20	HKED	
Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1C(F)(F)F	441108905	FCRXDRFCTYHWGJ-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1	441231808	LEUBSKUSKPHXHN-HXUWFJFHSA-N	410.905	5.540	30	20	HKED	
Cc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)c1C#N	442061422	IVRNOXNRIHFZIW-QGZVFWFLSA-N	415.518	5.297	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1	443858495	LEZPPHNWEQQYAM-QGZVFWFLSA-N	416.827	5.004	30	20	HKED	
CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cn(CCCC#N)c3ccccc23)CC1	444291867	QSBXDOJFSRUXRT-CBNMVNINSA-N	407.558	5.145	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1C(F)(F)F	464944936	ZBOOIMOJHOJGRC-PBEJRMEISA-N	400.444	5.497	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1	471921564	CZRMPIALSVFPRC-LEWJYISDSA-N	404.535	5.073	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)c1	474962091	BAKSNERPFGTGKW-UHFFFAOYSA-N	420.415	5.131	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C(=O)N(CC)CC)cc1	475572565	PYNVWASFWUDVBZ-UHFFFAOYSA-N	407.558	5.342	30	20	HKED	
CC(C)Oc1ccc(Br)cc1NC(=O)C[C@H](CC#N)c1ccccc1	476442463	KIBIPPUWMPNOQS-INIZCTEOSA-N	401.304	5.262	30	20	HKED	
C=C(C)CN(C)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	477619471	BCFLLEJBPZJKJK-UHFFFAOYSA-N	405.420	5.306	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2cncnc2)cc1F	478065683	LECODUJCDAKWCP-UHFFFAOYSA-N	424.435	5.507	30	20	HKED	
Cn1cc(CNc2cccc(NC(=O)C3CCCCC3)c2)c(-c2ccc(C#N)cc2)n1	478275682	NCFNUDMZNRNHRL-UHFFFAOYSA-N	413.525	5.090	30	20	HKED	
C=C(C)[C@H](NCc1cc(OC)c(OC)cc1Br)c1ccc(F)c(F)c1	479412739	UVKKNEQYGOOUHZ-IBGZPJMESA-N	412.274	5.152	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1C	488917097	YHLCQQSCHSYBFS-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
N#Cc1ccc(Oc2ccc(OCc3nnc(-c4ccccc4Cl)o3)cc2)cc1	490322510	YLOMRGMCIRJKRC-UHFFFAOYSA-N	403.825	5.633	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCc2ccc(Cl)cc2)cc1C	490897028	ALWRKRDVKSYLPH-UHFFFAOYSA-N	420.944	5.049	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1OCC(F)F	497535253	DBHIXQHETGTPAP-WMZOPIPTSA-N	419.859	5.288	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Nc3cccc(OC(F)F)c3)c2)c1	502656255	UYKFYYUWECPXSR-UHFFFAOYSA-N	422.391	5.056	30	20	HKED	
C=CCn1c(SCc2cnc3c(cnn3C(C)C)c2)nnc1-c1ccc(Cl)cc1	504267417	VSSYQWQASIPSHK-UHFFFAOYSA-N	424.961	5.402	30	20	HKED	
C=CCCc1ccccc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1	504283741	HZLDETDIMDFUSW-UHFFFAOYSA-N	412.559	5.062	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCC)[C@H](C)CC(=O)Nc1ccccc1	504786067	NLVYHWCNGVHXOF-HXUWFJFHSA-N	421.585	6.200	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	505328288	DVTYCOKVNVPCSV-LJQANCHMSA-N	417.390	5.806	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1	505822088	VBWKITDGMZLXEC-HXUWFJFHSA-N	409.505	5.102	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3ccc(CC#N)cc3)c2)c1	509714539	RTAKQRVHYCHNMM-UHFFFAOYSA-N	413.481	5.027	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1cc(C#N)ccc1Cl	513571008	FVGCXCVSAJIPQA-UHFFFAOYSA-N	418.859	5.465	30	20	HKED	
CCCOc1c(Br)cc(CNc2ccc(CC#N)cc2)cc1OCC	513594187	QWIUAGPZUCWCLK-UHFFFAOYSA-N	403.320	5.315	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C1CC1	513731915	BQVVPSIXRZEUBU-CQSZACIVSA-N	421.888	5.231	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1c(F)cc(C(F)(F)F)cc1F	514699223	RKBSSWRRAZRVTN-UHFFFAOYSA-N	417.227	5.316	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC=C(c2ccco2)C1	514851639	AVIFVGIJNVOYNK-UHFFFAOYSA-N	413.477	5.360	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C	517883504	FLWRJADCLMQZOC-ZDUSSCGKSA-N	410.474	5.021	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2o1	519315174	VGVJRIYEKGFHEH-LBPRGKRZSA-N	414.273	5.748	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OC(F)(F)F)cc1	519450832	KSMHWFVDBCJJNG-CYBMUJFWSA-N	409.433	5.159	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1COCc1ccccc1	519869125	AOGZHSXJMZBQME-UHFFFAOYSA-N	411.505	5.495	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	519902725	HMJQGNWIXWZOOQ-UHFFFAOYSA-N	407.219	5.158	30	20	HKED	
C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C(c1ccccc1)c1ccccc1	520322294	IGUCYJQDFDDERY-NRFANRHFSA-N	412.533	5.444	30	20	HKED	
Cc1ccc(CN(CC(=O)N(CCC#N)c2cccc(C)c2C)Cc2ccco2)s1	520595038	DRCVFMOKDLDICJ-UHFFFAOYSA-N	421.566	5.215	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1	521090244	DJGHICDMWPQMTH-HXUWFJFHSA-N	405.542	5.120	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCCN1CCCCC1	522087651	NPEWTEXMBKUHJB-UHFFFAOYSA-N	420.557	5.437	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1ccccn1	522487806	LCPWXSFUNAKFKB-MRXNPFEDSA-N	402.450	5.749	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	523010823	WWRKDTXMSDKCFH-MDOVXXIYSA-N	417.962	5.632	30	20	HKED	
C=CCn1c(SCc2ccn(C(C)C)n2)nc2scc(-c3ccccc3)c2c1=O	523880758	VTLOCSDHOGZKRA-UHFFFAOYSA-N	422.579	5.381	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	524565354	QPPWZEOZGQQRCX-IRXDYDNUSA-N	413.612	6.322	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1	525564728	QLFGBFZHHSNEDY-QGZVFWFLSA-N	423.582	5.494	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1	532581449	WMHKDTXTLGXAQN-WMZOPIPTSA-N	413.974	5.162	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@H](C2CCOCC2)C1)c1ccc(C(F)(F)F)cc1	535878826	ZDACGTVFBYDEHG-AZUAARDMSA-N	410.480	5.171	30	20	HKED	
CN(C(=O)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1)c1ccccc1	536071113	OSNWNRYZYJXQFI-IBGZPJMESA-N	411.486	5.063	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1NC(=O)c1cccs1	536182171	AKUKWLZAOCUSEU-HNNXBMFYSA-N	417.515	5.409	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1	538436828	VPCXJYNJJMYSQL-DOTOQJQBSA-N	414.962	5.135	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	540329829	IBFCXMDSCAMUAQ-QAPCUYQASA-N	401.963	5.414	30	20	HKED	
Cc1nc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)o1	545342489	SXKCCQQPMRUVCS-QHCPKHFHSA-N	423.472	5.224	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccccc1Cl)c1ccncn1	545446095	VHSKMJQHCUNVFO-OAHLLOKOSA-N	419.893	5.659	30	20	HKED	
CC[C@@H](CC#N)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	547292329	GHICPXJVFPVUSE-ZDUSSCGKSA-N	423.416	5.187	30	20	HKED	
N#CC1CCN(C(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)CC1	549276029	CMRSREIUFNXFCL-UHFFFAOYSA-N	404.297	5.231	30	20	HKED	
N#Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cnc1C(F)(F)F	549997232	HJJLZEZNYCXOAW-MRXNPFEDSA-N	421.831	5.206	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1	569088690	NQCUROSFRMUJAK-MRXNPFEDSA-N	420.557	5.449	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2Cc2ccccc2)c1	569775911	FLWDGTXCPGRQGL-NRFANRHFSA-N	411.534	5.268	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)nc(C)n1	573471086	ZFWFMFGUVQGRHO-OAHLLOKOSA-N	417.412	5.211	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1OCCc2sccc21	584305405	OYRXVSKOGUYTNB-QRQCRPRQSA-N	404.491	5.301	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](c2ccco2)C1	589365293	DYLXWKPRFCXVMD-IERDGZPVSA-N	402.454	5.344	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CCCC[C@H]1C(F)(F)F	589753801	HAAAPSCJDMFIGN-MSOLQXFVSA-N	418.419	5.330	30	20	HKED	
CC1(C#N)CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc(Cl)c(Cl)c1	602758682	RHIMUOHAXUAOFP-UHFFFAOYSA-N	400.309	5.866	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1ccc(Cl)cc1	603960479	UFMAAKXQJDWJGH-UHFFFAOYSA-N	405.885	5.624	30	20	HKED	
N#Cc1c(NC(=O)Cc2cccc(C(F)(F)F)c2)sc2c1-c1ccccc1CC2	603992540	ZWTPDULGXLWKEZ-UHFFFAOYSA-N	412.436	5.585	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(NC(=O)C2CC2)ccc1C	606767428	GEWMKOOGKLMXDS-UHFFFAOYSA-N	418.415	5.179	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1	609020386	GVLRSTOKQVGLIR-UHFFFAOYSA-N	424.460	5.776	30	20	HKED	
N#C[C@H](NC(=O)CCSc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1	609172069	NZMVWOCZMLRGIU-QHCPKHFHSA-N	420.509	5.268	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)c1	609432645	CFQZLXUNBTZMNL-HXUWFJFHSA-N	400.522	5.775	30	20	HKED	
CC(C)[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1	609636112	SKVPDWFCZAUGGN-LJQANCHMSA-N	404.514	5.101	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4nccs4)cc3)c2)cc1	609640329	CIFNAYPKOQOZPL-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCSc2ccccc21	610225560	KKVJEGLJFMRGER-NRFANRHFSA-N	400.503	5.877	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1	610355819	DHJCOHUKYUSXLV-OALUTQOASA-N	413.521	5.697	30	20	HKED	
C[C@@H](NC(=O)NC1(c2ccc(Br)cc2)CCCC1)c1cccc(C#N)c1	610404819	QASAZASQXVKXHA-OAHLLOKOSA-N	412.331	5.150	30	20	HKED	
CCOc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1Br	614663412	YAGGBIGMDVYUIM-UHFFFAOYSA-N	414.086	5.279	30	20	HKED	
O=C(Nc1ccc(Cl)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642398667	MYTWRUJQOPGXOO-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
CC(C)Oc1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Cl	678325240	VJHJVWYDEMURLU-LBPRGKRZSA-N	406.294	5.275	30	20	HKED	
Fc1ccc(-c2nc(CNc3ccc(C(F)(F)C(F)(F)F)cc3)no2)c(F)c1	681953139	IAHMRZPMHFFXDW-UHFFFAOYSA-N	405.273	5.281	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1C	728033014	UPXZEZXMUUOTSG-UHFFFAOYSA-N	412.489	5.356	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC	729405651	ZWIQYSXIFIQAAS-UHFFFAOYSA-N	412.486	5.032	30	20	HKED	
Cc1ccc(OCCSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	730950867	BVJKRRKLNCTSRJ-QGZVFWFLSA-N	400.569	5.140	30	20	HKED	
CC(C)c1ccccc1OCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	732417763	JTWMDFOCQWIHTH-DEOSSOPVSA-N	413.521	5.666	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2n1	732594030	YJMOJDWSRRXWHF-GVAUOCQISA-N	418.496	5.794	30	20	HKED	
C[C@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1Cl	738749218	IUAVZRJRJVOAOI-HNNXBMFYSA-N	419.868	5.139	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)OC(C)(C)C	742558661	LKMFCLKZURFXEE-UHFFFAOYSA-N	409.486	5.277	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)NCc1ccc(OC(F)(F)F)cc1	742977866	PFMWROYIBKSUDN-UHFFFAOYSA-N	420.909	5.363	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2ccccc2C(F)(F)F)cc1	744033036	LNZSIYVXHSHDTB-KHYOSLBOSA-N	416.443	5.670	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCSc4ccccc43)n2)cc1	744061470	LGWHALUQTSILSY-ZWKOTPCHSA-N	406.532	5.275	30	20	HKED	
C=CCCO[C@@H](C)C(=O)O[C@H](C)c1sc(-c2ccccc2Br)nc1C	744319289	DUDUUYXCRYEWOU-KGLIPLIRSA-N	424.360	5.466	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(Cl)cc2)c1	744762227	YVKSAYXCTLCZFI-UHFFFAOYSA-N	400.935	5.113	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OC3CCCCC3)CC2)cc1	747976328	WAYRQTVGBRWASL-RUZDIDTESA-N	417.553	5.688	30	20	HKED	
CC(C)CC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	761630804	VAVKXTAPCKRMBG-UHFFFAOYSA-N	405.542	5.622	30	20	HKED	
Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	764841554	VRQLJRJYSPETOR-HSZRJFAPSA-N	404.473	5.360	30	20	HKED	
C=CC[C@H](N[C@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C)c1ccncc1	766018406	HJGCKFAMHJKRQZ-VLIAUNLRSA-N	401.341	5.851	30	20	HKED	
N#CCC[C@H](NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1	767895409	OMHWXSVVENWTME-ICSRJNTNSA-N	401.432	5.249	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	768014876	DXJZGIDTRUXTSI-UHFFFAOYSA-N	424.585	5.176	30	20	HKED	
Cc1cc(-c2cc(C(=O)OC[C@H](C#N)Cc3cccs3)c3c(C)noc3n2)c(C)o1	772732371	FKVZPVGCNYWXHO-HNNXBMFYSA-N	421.478	5.009	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1	774577840	CMYOJKIFAFIWFH-UHFFFAOYSA-N	424.884	5.186	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCc4c(Cl)cccc43)n2)cc1	776084205	JSVBISAKITTWLA-QZTJIDSGSA-N	403.894	5.241	30	20	HKED	
C#CC[C@@H](NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1	776170653	PWORXDSLOSSIKF-GOSISDBHSA-N	401.491	5.120	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	779731648	QTAMSKMQHHGKIV-AWEZNQCLSA-N	403.351	5.167	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	780170569	XLMRWVIJWLRWLQ-OAHLLOKOSA-N	419.462	5.289	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(OCCc2ccccc2)c1	780500001	AOFCPDSVNUQOCO-SFHVURJKSA-N	401.466	5.243	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(Br)n1	782488642	ZEZMQWSFMGHHOE-OAHLLOKOSA-N	420.310	5.182	30	20	HKED	
Cc1nc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)s1	786311999	FMCVLYWGTNFETI-CYBMUJFWSA-N	422.362	5.609	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	788092674	NFHDTSUETBFTOL-QTJGBDASSA-N	412.489	5.101	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c(-c2ccccc2)n1	788357437	ZOBHGPIUOOLAAM-KHPPLWFESA-N	404.473	5.422	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1	793328398	MRNXVGWKVRNCQB-CYBMUJFWSA-N	403.429	5.732	30	20	HKED	
CC(C)(CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)C(F)(F)F	796633859	PUXJOPQWEKBCDM-HNNXBMFYSA-N	404.388	5.105	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1	796738571	CVWABICXQXIMNX-GHTZIAJQSA-N	413.901	5.029	30	20	HKED	
CCCC1(C=NOc2ccccc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1	807981518	IYKHFLROAKFTSU-UHFFFAOYSA-N	414.468	5.887	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(Cl)cc1	810186409	VCLYFPJEYHWDBM-MNNSJKJDSA-N	422.937	5.144	30	20	HKED	
CC(C)Oc1ccc(-c2ccc(NC(=O)c3ccccc3SCC#N)c(F)c2)cc1	817050464	QAPZJWHLLRYCTQ-UHFFFAOYSA-N	420.509	6.148	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1	831487486	BELSTHJIYFBZIU-LBPRGKRZSA-N	414.021	5.222	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccccc3F)o2)cc1	916914810	VLOOXSYQWWFGAK-IBGZPJMESA-N	404.441	5.389	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1	917119710	SICMWSRKTAWSRQ-XMMPIXPASA-N	410.521	5.370	30	20	HKED	
Cc1ccc(N=Cc2cc(Cl)ccc2O)cc1S(=O)(=O)Nc1ccccc1F	920942001	FCNVMENQUGIKAX-UHFFFAOYSA-N	418.877	5.045	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5sc(C)cc5[nH]4)CCC3)cc2)C1	1785810406	QZFLTROHNNBHIS-UHFFFAOYSA-N	419.550	5.252	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)CC=C)CCC2)cc1	1789457996	JGXFBGSXLVMTIC-LJQANCHMSA-N	402.485	5.100	30	20	HKED	
COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(C)c1	10118300	DSODPKMMCXEXJT-UHFFFAOYSA-O	419.570	5.465	30	20	HKED	
N#Cc1ccc(F)c(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1	21802989	DWOCEYUZACHXCJ-UHFFFAOYSA-N	419.239	5.335	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc(C#Cc2cccs2)c1	43996362	IQBKNZSWXGIMMY-UHFFFAOYSA-N	403.532	5.422	30	20	HKED	
COc1ccc(CCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	61159124	NHXAVAWHYJYKEM-UHFFFAOYSA-N	401.466	5.024	30	20	HKED	
COc1ccc2cc(-c3nn(-c4ccccc4)cc3CNCCCCC#N)ccc2c1	237478500	NCNUIPWNHIHCDX-UHFFFAOYSA-N	410.521	5.485	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c1	429962783	JFPVURFCAJDJAF-UHFFFAOYSA-N	423.441	5.105	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2NC(=O)c2ccccc2)s1	430592337	MMGHNJBXKRWQQE-QGZVFWFLSA-N	403.507	5.183	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1	430596537	XBROHVGQKSPYOU-LJAQVGFWSA-N	420.559	5.003	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCC(F)(F)C2)cc1Cl	431113198	SGNQHXDQARSUKZ-KBXCAEBGSA-N	403.860	5.552	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1nc2ccccc2n1C(F)F	431771440	WEBVQJNMEGSANR-DOTOQJQBSA-N	411.456	5.227	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSCc3cscn3)c2C#N)C1	437363129	DLBKWCUHARFPQZ-GFCCVEGCSA-N	405.614	5.099	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	439308650	XTMHSIUEBXXEJS-SFHVURJKSA-N	422.872	5.352	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	439312198	AEMIHQFNRBAMBK-QKNQBKEWSA-N	407.583	5.287	30	20	HKED	
O=[S@](Cc1cccc(NCC#Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	442104732	BWGNAWDYFTUJKQ-GDLZYMKVSA-N	413.464	5.477	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc3cc(Cl)ccc3o2)c1C#N	445574066	ZKFSLDOLKIZWRY-UHFFFAOYSA-N	408.870	5.118	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	460657483	QSNPLQNFXHRKIT-KRWDZBQOSA-N	409.505	5.651	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1	461100890	BSYRUEJTFOHBRN-ZACQAIPSSA-N	413.226	5.497	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1Br	464467564	KUABGJIMLIEPNV-NSHDSACASA-N	417.612	5.315	30	20	HKED	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(COc3ccccc3C#N)o2)o1	464896964	UWYIZWLUCDXFLO-OXQOHEQNSA-N	404.466	5.245	30	20	HKED	
Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)c(C)c1	464948065	GPEHOZUDYJAYIN-IRLDBZIGSA-N	401.535	5.339	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)cc1	468259155	BMHXRLCEIQCPAS-FQEVSTJZSA-N	414.461	5.130	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC(F)(F)F)cc1	469352864	VWTKSIGWUPDDJZ-OAHLLOKOSA-N	417.431	5.341	30	20	HKED	
Cc1cc(Br)c(F)cc1NC(=O)Nc1cccc(OCCCC#N)c1	473865995	PEVHDVAHRSFRRJ-UHFFFAOYSA-N	406.255	5.223	30	20	HKED	
CO[C@H](C)c1noc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	475150282	ILYMIMGGSXEKFN-GFCCVEGCSA-N	418.375	5.072	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1	476652503	BMHUUWBGXLZSGL-KSSFIOAISA-N	412.358	5.095	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	481160350	ZWUXXDHREGPAAK-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
N#Cc1cccc(C2(NC(=O)Nc3cc(C(F)(F)F)ccc3Br)CC2)c1	483312992	RKBHAJGIQUYUSX-UHFFFAOYSA-N	424.220	5.150	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	485599701	MUXKPZLODFKNHW-OAHLLOKOSA-N	407.392	5.123	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1	486232663	VXOYUBAFGIICIM-UHFFFAOYSA-N	419.468	5.117	30	20	HKED	
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)s1	487653540	BNZZMRSJEKOFMP-UHFFFAOYSA-N	407.545	5.699	30	20	HKED	
COc1ccc2[nH]cc(C3=CCN(c4c(C#N)cnc5c(F)cc(F)cc45)CC3)c2c1	488239814	DDJGAPNTWMCTPR-UHFFFAOYSA-N	416.431	5.168	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1oc(CCC)nc1C)c1ccc(C(F)(F)F)cc1	489758738	WZGGWUJOAIBZQF-QGZVFWFLSA-N	409.452	5.461	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)c1ccccn1	502705243	KBDVMPGBIRAIEK-KRWDZBQOSA-N	413.329	6.171	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	503217255	MYOVAAZHPOBXPC-QFBILLFUSA-N	411.527	5.283	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2)nc1	505506540	MTTIKALYZLRXCE-GOSISDBHSA-N	423.259	5.047	30	20	HKED	
C=CC[C@H]1N(C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)CCCC1(C)C	508074498	QMNQQRVFAOLDSW-HXUWFJFHSA-N	415.965	5.291	30	20	HKED	
CN1CCC2(CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	509718192	GKPLLTRYBCYNSC-NRFANRHFSA-N	422.960	5.088	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1	510505830	JSWMBXQDXFZWDS-HSZRJFAPSA-N	403.526	5.082	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2cccc3ccccc23)cc1	510756673	YRRBXUDUTFFAMA-UHFFFAOYSA-N	413.521	5.018	30	20	HKED	
CC(C)OCc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	513192285	HOSSBEGPIZPPLH-MRXNPFEDSA-N	411.571	5.253	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3coc(-c4ccccc4)n3)c2C#N)C1	514844652	LWDUJJVTXOSWCJ-INIZCTEOSA-N	419.550	5.607	30	20	HKED	
Cc1ccc(C[C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C)c1	517493822	LYJALKLIIUEWAK-OAQYLSRUSA-N	414.553	5.058	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCCOc1ccc(Cl)cc1	517530135	OEACMFRUWORNNX-INIZCTEOSA-N	417.962	5.715	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1F	518038516	MTKQYLSZIXCYHQ-CQSZACIVSA-N	408.404	5.128	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc(C)nc21	518739220	UAFZHOWHQYTQHE-HZPDHXFCSA-N	407.543	5.357	30	20	HKED	
CN(C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)C1(C#N)CCC1	520015325	LXSZHQMGLUQOFT-UHFFFAOYSA-N	405.350	5.804	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cs2)cc1	521293431	QYLOVXUYGQPUDW-OAQYLSRUSA-N	403.551	5.340	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1nc2cc(Cl)ccc2s1	521748529	VUCYRBGCSCVQOQ-GFCCVEGCSA-N	416.959	5.523	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(CCc3ccc(F)cc3)C3CC3)c2)cc1	522579936	RTFPPDQEVINCED-UHFFFAOYSA-N	400.453	5.337	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)c1occc1COc1cccc(C#N)c1	523228321	VMJWAWYEHXIQEJ-UHFFFAOYSA-N	400.887	5.107	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CC1CCCCC1)c1ccccc1	523571490	PJWOBFPUFJTBLM-DEOSSOPVSA-N	406.574	5.174	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(CCOC)cc2)cc1	524565306	OUJWOLARIVGNGN-UHFFFAOYSA-N	422.550	5.949	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	524998470	JOZDTDKQJDZCLM-INIZCTEOSA-N	411.477	5.980	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2ccncc2)cc1	525346935	JRRPCOMXTNGYQP-QGZVFWFLSA-N	402.523	5.322	30	20	HKED	
COc1ccc(CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1C#N	532767694	VMBZPWZOCJLTPJ-UHFFFAOYSA-N	416.868	5.568	30	20	HKED	
Cc1cccnc1[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C	533058070	BFLVMMQLDHITCJ-HSZRJFAPSA-N	421.589	5.111	30	20	HKED	
CCN(CCc1nccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	533131036	KMKIUJNNCFNSNX-IBGZPJMESA-N	424.957	5.548	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC12CCC2	536699084	XECUWRMDROYSPJ-IBGZPJMESA-N	403.526	5.376	30	20	HKED	
COc1ccc(CN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C2CCCCC2)cc1OC	537688574	UNFWGXHZDGOZJQ-SFHVURJKSA-N	421.541	5.181	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1	540458515	OUIBRMFZTGPBPM-HSZRJFAPSA-N	419.594	6.242	30	20	HKED	
COc1cc(-c2noc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)ccc1C	542014274	CYZOKVCRDROVIC-GOSISDBHSA-N	424.504	5.443	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	543636309	HFAFXYAVTZONGA-LBPRGKRZSA-N	414.365	5.407	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)CCc3cc(Br)cs3)n2)cc1	552845176	NYDYMKJAKXVRFG-UHFFFAOYSA-N	418.341	5.077	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cc2)cc1	553308875	AJZSFUZQISTOHO-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C	571353770	YEBUYIAJEQNNEL-UHFFFAOYSA-N	420.561	5.519	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)o1	574138352	DGCDJVXHSNVPTI-UHFFFAOYSA-N	400.482	5.048	30	20	HKED	
COc1cc(CN[C@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)ccc1C#N	582271370	WZJLTFFTDRKXBY-CYBMUJFWSA-N	415.324	5.219	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cs1	592973848	JZLVTBCLPSDQFK-MRXNPFEDSA-N	423.494	5.269	30	20	HKED	
CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690055	GNLPQURXXOUBID-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2	609078604	CCVJGVPHCBWAPE-RLWLMLJZSA-N	417.553	5.878	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	609286937	RWIRTLUZGFYITB-INIZCTEOSA-N	416.333	5.344	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl	609378947	LCANDQAAPSPEGL-LLVKDONJSA-N	401.340	5.046	30	20	HKED	
C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1	609696117	GWIRGRWZNLFYPL-HXUWFJFHSA-N	409.533	5.181	30	20	HKED	
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609743953	TVYLJMIVFHDVAW-SFHVURJKSA-N	400.482	5.578	30	20	HKED	
C[C@@H](SCc1nc(-c2cccc(Br)c2)no1)c1ccc(C#N)cc1	609825353	SKBVARMBQVYPET-GFCCVEGCSA-N	400.301	5.365	30	20	HKED	
CCc1noc([C@H](C)SCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)n1	609901440	WYHWYUVKFMFFQL-HNNXBMFYSA-N	409.511	5.086	30	20	HKED	
N#CCn1c(C(=O)Nc2cccc(Cl)c2SCC(F)F)cc2ccccc21	609909044	VTWADCGTFTXJDH-UHFFFAOYSA-N	405.857	5.428	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	610093805	WKLHTWZMQNZYMZ-XMSQKQJNSA-N	424.957	5.899	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)s1	610388514	QRQYLNVHLIWWHW-UHFFFAOYSA-N	407.442	5.252	30	20	HKED	
N#CC1(c2ccccc2)CCC(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1	611255108	SLRBBAGBSQTYDR-XNYRCJLNSA-N	418.425	5.890	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NCC(C)(C)C#N	611621350	KMHMAXJCDKQIEQ-UHFFFAOYSA-N	407.493	5.403	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)c1ccccn1	613296450	FMBMJFVEIPLKES-QGZVFWFLSA-N	413.329	6.171	30	20	HKED	
Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	618540685	XGJBOOMOHFSSDL-AOOOYVTPSA-N	422.291	5.608	30	20	HKED	
CCN(CC)C(=O)Nc1ccc([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cc1	678593912	BMUVZYRFMLYUHY-KRWDZBQOSA-N	417.475	5.281	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(CCCn2ccnc2)CC1	679955491	XTESLHLPBJOCST-UHFFFAOYSA-N	418.566	5.069	30	20	HKED	
CC(C)(c1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F	683392066	TYQRLQNFUDFDKH-TXEJJXNPSA-N	421.303	5.339	30	20	HKED	
COc1cc(C(C)=NNc2ccc(Br)cn2)ccc1SC(F)F	727262901	CLBMTZZWEYZUIU-UHFFFAOYSA-N	402.264	5.004	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(Br)cc2F)cc1	728431833	AMSOZMSCCBAWGV-UHFFFAOYSA-N	421.314	5.298	30	20	HKED	
C[C@H](OC(=O)c1ccccc1CC#N)C(=O)Nc1ccccc1Sc1ccccc1	729320604	JBSQMCWJWWZWMQ-KRWDZBQOSA-N	416.502	5.088	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730685591	AJFSNOADKILLBB-RDBSUJKOSA-N	407.684	5.098	30	20	HKED	
CC(C)c1ccsc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N	731073289	GDVXHDHNZNXWJM-CQSZACIVSA-N	402.541	5.061	30	20	HKED	
COc1ccc2[nH]cc(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2c1	733621322	JNXDDFZPYDYWKO-DEOSSOPVSA-N	424.504	5.196	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Nc2ccc(OC)cc2)c1	733789523	OQRIRHGIFGGZMX-FQEVSTJZSA-N	415.493	5.050	30	20	HKED	
CCCN(C(=O)NCc1cccc(O[C@@H](C#N)CC)c1)[C@@H](C)c1ccccc1OC	733804297	BNSQBTZSPSYQRD-AZUAARDMSA-N	409.530	5.059	30	20	HKED	
COc1ccc(C2(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CCC2)cc1	739594746	PPBCPUGWMYQODN-UHFFFAOYSA-N	402.519	5.033	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2scnc2C)C(=O)c2ccccc2)c(Cl)c1	742430804	BBPAYOHHKKWLAJ-BOPFTXTBSA-N	410.926	5.627	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H](C)[C@@H]2CCC)c1=S	743380542	JFNVQPFCUSBJON-HKUYNNGSSA-N	400.592	5.134	30	20	HKED	
Brc1cccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c1	745987516	GQMKWXRRMZPCRM-UHFFFAOYSA-N	418.298	5.143	30	20	HKED	
COc1cccc(NC(=O)/C(=C\c2cccc(OC(F)F)c2)C(=O)c2ccccc2)c1	747064141	UGHWNQKPIUTFOS-STZFKDTASA-N	423.415	5.202	30	20	HKED	
N#Cc1csc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)c1	748439022	JDEOFFBXHCJZJN-LFYBBSHMSA-N	401.925	5.795	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)cc1C#N	752795339	DWYZRBRNYDCTAV-ZDUSSCGKSA-N	410.861	5.608	30	20	HKED	
CO[C@@H]1Cc2ccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2C1	752944667	RBDCRPMOGBJMQZ-SSOJOUAXSA-N	411.505	5.222	30	20	HKED	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	754874213	IOYZFCMRWABWED-HIFRSBDPSA-N	421.950	5.065	30	20	HKED	
C[C@H](OC(=O)c1cn(C)nc1C(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	755076028	QUBVLEPYJKMWSY-ZETCQYMHSA-N	416.268	5.313	30	20	HKED	
Cc1nc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)sc1-c1ccccc1	758039033	DRCOSDAGRFGADL-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	759334194	UIANZMYBLSPFTN-JTHBVZDNSA-N	410.521	5.184	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)cc2)cc1	759621300	QAELDPJJQUGHJQ-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc(-c2c(F)cccc2F)cs1	766325467	ODMOJBJERLNMTK-OJZLUHRPSA-N	416.468	5.573	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2cc(Br)ccc2Cl)ccc1OC	767917657	PBIOZJMDYQLMKB-MRXNPFEDSA-N	423.738	5.082	30	20	HKED	
N#C[C@H]1C(CN2CCCC[C@H]2c2cccc(Cl)c2)=CC(=O)n2c1nc1ccccc12	770002842	ZYPQPNJFAHTIFW-FPOVZHCZSA-N	416.912	5.104	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	774334923	KMTSHFCRQHVRKV-RGMGNAJESA-N	413.386	5.092	30	20	HKED	
N#C[C@@H](OC(=O)c1oc2ccccc2c1CSc1ncccn1)C1CCCCC1	776378135	AFGSIBXEZLVLAR-LJQANCHMSA-N	407.495	5.144	30	20	HKED	
COc1cc(C(=O)/C=C\c2c(Cl)cccc2SC(C)C)ccc1S(C)(=O)=O	787479032	QBRQKECAHGKAPR-KTKRTIGZSA-N	424.971	5.149	30	20	HKED	
CCCc1c(NCc2ccc(SC(=O)N(C)C)cc2)cnn1-c1cccc(C#N)c1	790326795	ARENHNHHPQRMNA-UHFFFAOYSA-N	419.554	5.082	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)c1	790358952	IBGHEXXPINBMOL-LJQANCHMSA-N	419.447	5.032	30	20	HKED	
C=CCN(CCC#N)Cn1nc(-c2ccccc2)n([C@@H](C)c2ccccc2)c1=S	793569414	QWXDDIPVJKZNEP-IBGZPJMESA-N	403.555	5.050	30	20	HKED	
Cc1c(C(=O)OCc2ccc(Oc3ccccc3)nn2)sc2ccc(C#N)cc12	796616079	YQXKFDBGVBZAGQ-UHFFFAOYSA-N	401.447	5.021	30	20	HKED	
CCOC(=O)c1c(NC(=O)c2cc(C#N)oc2C)sc(C)c1-c1ccc(F)cc1	798212082	WRCYZVQDJBNHLF-UHFFFAOYSA-N	412.442	5.065	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2csc(C)n2)cc1	799602742	ZGCQQHLASUZFFP-HXUWFJFHSA-N	417.534	5.205	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2coc3ccc(C(C)C)cc23)cc1Cl	805856554	XRMLJSFXOKUPEO-INIZCTEOSA-N	410.857	5.179	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(COc2ccccc2)c1	806222018	BVDCIYAKPZGINW-UHFFFAOYSA-N	418.541	5.653	30	20	HKED	
N#C[C@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1cc(C(F)(F)F)ccn1	813213954	RCUDVLTZVWIFTK-KGZWWPETSA-N	416.399	5.718	30	20	HKED	
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	914775204	DAJSYNJBQYIIBK-UHFFFAOYSA-N	423.480	5.205	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3ccccc3n2)o1	916088480	NKSZHCPKOARBEZ-UHFFFAOYSA-N	420.519	5.436	30	20	HKED	
CCCC(=O)Nc1ccc(O)c(C(C)=NNc2cc(C)c3ccc(C)c(C)c3n2)c1	916543191	MERVEAUPNQLUDW-UHFFFAOYSA-N	404.514	5.440	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1	916897939	RHRSWOXCQBCTEL-HSZRJFAPSA-N	424.456	5.281	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	916910569	TUECWGXIQNWRIK-HXUWFJFHSA-N	416.502	5.309	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)sc21	917047141	RSIRVZCBYLMROD-CQSZACIVSA-N	421.934	6.146	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)cc1	917430395	JSBLUDVDOMBKJW-CQSZACIVSA-N	422.859	6.123	30	20	HKED	
Clc1ccc(-c2nnc(CON=Cc3cccc(Cl)c3Cl)o2)c(Cl)c1	920399497	SZNKXQMULKMXJW-UHFFFAOYSA-N	417.079	5.901	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Sc4ccccc4)cc3)CCC2)C1	1786287327	BRXOIXHYYYDYNL-SFHVURJKSA-N	420.578	5.268	30	20	HKED	
CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1	1788891995	KCQGABCJRHZMER-UHFFFAOYSA-N	411.505	5.137	30	20	HKED	
C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1	1791576705	BQJABOXZFYSHCJ-GFCCVEGCSA-N	423.365	5.059	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccccc2)CC1	1828829540	IXDLTJPUVSLLIH-SDUSCBPUSA-N	422.613	5.178	30	20	HKED	
Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)cc1	7111518	SWWHRBQJMFDBJN-MRXNPFEDSA-N	407.930	5.432	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2c(C)cccc2C)cc1	11153745	UACOWTFYGXPVIN-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1	15542776	NIPUSSNHKJUMEP-UHFFFAOYSA-N	401.516	5.591	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CSCc4ccc(C#N)cc4)[nH]c(=O)c23)cc1	32794264	DKLYRRPOMPLLAM-UHFFFAOYSA-N	417.559	5.574	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1	56637674	JKXGIWKEACOPOJ-SFHVURJKSA-N	409.505	5.060	30	20	HKED	
CCc1cc(C#N)c(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)s1	61189125	JFMSXQPTQCLBHX-UHFFFAOYSA-N	422.362	5.794	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1	63394182	WQADDQWJSAZNPA-UHFFFAOYSA-N	406.442	5.087	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12	69771007	XSFZNAQMSFFFIG-UHFFFAOYSA-N	415.514	5.658	30	20	HKED	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	253485483	OYHORMPSYLZUCL-FCORRRHLSA-N	418.880	5.162	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1	409817886	IIYKCISYLOAZKM-IBGZPJMESA-N	423.563	5.388	30	20	HKED	
N#Cc1ccccc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	409961858	PSEJWVIYQJZECS-UHFFFAOYSA-N	401.516	5.591	30	20	HKED	
COc1ccc(Br)c(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	426378868	IBIGGPIJWPCXLX-ZDUSSCGKSA-N	419.344	5.033	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccc(C#N)cc1Cl	430833254	NMTQSPVNKAJAGD-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
CC(C)c1ccc(C[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1	434987316	SUXVVZZFTOIFBW-QFIPXVFZSA-N	413.569	5.047	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	435998505	VQDPKLXFKNYDLE-QFIPXVFZSA-N	414.509	5.243	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1nc(C)c(-c2nc3ccccc3n2C(F)F)s1	439853047	DBTWWIQXKWEPBF-UHFFFAOYSA-N	423.448	5.296	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c2)o1	440605807	YTUBTWOIAIJEEP-UHFFFAOYSA-N	409.449	5.167	30	20	HKED	
C=CCn1c(SCc2nc(C(F)(F)F)cs2)nc2sc(C)c(C)c2c1=O	443522460	YTKFQOGZMIGTLU-UHFFFAOYSA-N	417.503	5.028	30	20	HKED	
CN(C)CCCN(CCC#N)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1	444398966	VTNNMXWOWQMVQH-UHFFFAOYSA-N	416.978	5.190	30	20	HKED	
N#Cc1cccnc1OC1CCC(NC(=O)Nc2cccc(C(F)F)c2Cl)CC1	446341038	LORHTRNTIGSKSB-UHFFFAOYSA-N	420.847	5.056	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)CC(C)C	461092407	FSQHOWNEIIFWBU-QFIPXVFZSA-N	405.542	5.272	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)o1	462005812	IJYTYRIOPZDECC-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1SCCC#N)c1ccc(F)c(Br)c1	462051555	GPYJTNWHECPWSX-ZDUSSCGKSA-N	421.335	5.726	30	20	HKED	
C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	462270771	VRQVVCALURYENH-SJORKVTESA-N	414.600	5.053	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)Nc1sc2c(c1C#N)CCCCC2	463195978	HTDZFIPHEBPCGZ-CQSZACIVSA-N	400.569	5.330	30	20	HKED	
CC(C)(C)[C@@H](C#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1	464706454	DSWCVMBJKYAPAR-GOSISDBHSA-N	417.372	5.409	30	20	HKED	
Cc1csc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)n1	466094717	QZHKAPQXWINFFN-NRFANRHFSA-N	418.522	5.697	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(Cl)c1F	466757961	ZSAMNNVKHZUJHQ-ZDUSSCGKSA-N	408.951	5.603	30	20	HKED	
N#Cc1ccnc(Sc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1[N+](=O)[O-]	471613989	SYADTAQAQXEMMD-UHFFFAOYSA-N	411.493	5.193	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc(C)c1OCc1cccnc1	474449566	UXKJPVPIGQJUBT-LJQANCHMSA-N	405.523	5.347	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	475552004	WGBKSUZQSVNVNO-IBGZPJMESA-N	407.558	5.195	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1CCN(C(=O)c2ccccc2)CC1	475572641	PYFLYQCMHPAIRZ-UHFFFAOYSA-N	419.569	5.212	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C	476133284	FOLDJUSTLYKPNE-UHFFFAOYSA-N	402.542	5.994	30	20	HKED	
C=C(C)[C@@H](NC(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1)c1ccc(F)c(F)c1	476878976	KNZVWAZAWZEZBX-QVKFZJNVSA-N	415.484	5.066	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccccc1	477924444	RUANESONASGIOO-KRWDZBQOSA-N	414.349	5.050	30	20	HKED	
Cn1cc(CNCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)cc1C#N	480662571	URSKQBULXGZSAO-UHFFFAOYSA-N	410.477	5.166	30	20	HKED	
C[C@@H](NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccc(C#N)cc1	481271298	SIHBXIANSWSGND-CQSZACIVSA-N	422.941	5.164	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccs1	481396743	GBQMGZBGZAALHS-UHFFFAOYSA-N	412.584	5.355	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C	486238847	DNSZOCCGCSMVGL-KRWDZBQOSA-N	408.567	5.398	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)Nc1ccc(C#N)c(Br)c1	487877105	JDZVYRZEZVNVCN-AWEZNQCLSA-N	424.302	5.079	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCC[C@H](C)C1	488096402	FMTOLMLWQDKPCM-IPMKNSEASA-N	415.603	5.084	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)N(CCC(F)(F)F)Cc1ccccc1	491258724	LTACCYYJHHRETI-UHFFFAOYSA-N	424.316	5.553	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@H](CC(F)(F)F)c1ccccc1	491347420	PPQDCMXKGKLRQV-CYBMUJFWSA-N	410.289	5.381	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1	494934144	WFEYMTVWQXNNPN-UHFFFAOYSA-N	410.533	5.891	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(CSc3ccccn3)c2)cc1OC	499059149	GQQOYDUDDPMNHV-UHFFFAOYSA-N	406.507	5.200	30	20	HKED	
N#C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)c1c(Cl)cccc1Cl	499861698	MJPDDPMBHWMVGE-MRXNPFEDSA-N	418.349	5.697	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cc1	503337013	LATJZDUFVQDPPQ-JWQCQUIFSA-N	410.517	5.396	30	20	HKED	
Cc1nc(NC(=O)c2oc3ccc(Br)cc3c2C)sc1SCC#N	504837915	YYFZMNOIAMFEDL-UHFFFAOYSA-N	422.329	5.137	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1	505045668	KEIXADRSXNIGFH-UHFFFAOYSA-N	401.514	5.002	30	20	HKED	
N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2	505086001	DGBFFBDYBXAVKN-VLGSPTGOSA-N	415.924	5.799	30	20	HKED	
N#CCCN(CC1CC1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1	505201072	KRVNBWNWTHWBRA-UHFFFAOYSA-N	417.278	5.146	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1	505439087	UZZSAVHMHKTNOY-SNVBAGLBSA-N	423.366	5.353	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2occc2-c2ccccc2)cc1	508451020	AYHUGCUCLZMTGP-UHFFFAOYSA-N	410.429	5.871	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(F)(F)F)CC1	508864767	QJYHOOWFFNLFHD-ZDUSSCGKSA-N	414.859	5.036	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1ccsc1	513225296	CIOUYDIMPHDGLC-QHCPKHFHSA-N	403.551	5.100	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)cc1	513748946	MFOMPNOIADDMRO-VGOFRKELSA-N	408.498	5.139	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C(C)C	514800401	HWZZNOGPBNWWMX-UHFFFAOYSA-N	420.582	5.218	30	20	HKED	
C=C(C)COc1cc(CN[C@H](c2ccccc2)c2ccccc2OC)ccc1OC	518286530	FIWDXKBQLTYJLI-AREMUKBSSA-N	403.522	5.538	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2	518683094	ILXODYNFXPDEKF-QAPCUYQASA-N	409.511	5.036	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cc2ccccc12)c1ccc(C(F)(F)F)cn1	519347644	KSQGFFHBARIYHX-INIZCTEOSA-N	419.200	5.506	30	20	HKED	
CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	519736260	SFHDDSNKIXUUTL-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl	520316048	ZLQZHUSHBDUBDF-SNPRPXQTSA-N	405.350	5.987	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)cc1	521571707	NKDBPSDDJPRGJY-JOCHJYFZSA-N	404.510	6.099	30	20	HKED	
Cc1csc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1	524438871	ZOBUAFIUIMYYJE-MRXNPFEDSA-N	406.511	5.093	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1	532578538	OCBFDLBPSZQPNJ-SJLPKXTDSA-N	413.974	5.020	30	20	HKED	
N#CCc1cccc(-c2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)c1	534465598	YIESCCHUILMEQC-UHFFFAOYSA-N	421.485	5.655	30	20	HKED	
COc1ccc2cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c(C)nc2c1	537664900	GRZJACIYPWCGIH-INIZCTEOSA-N	407.882	5.305	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)CC3CC(c4ccccc4)C3)s2)cc1	538403351	YQQJGNWQHDSARK-UHFFFAOYSA-N	420.563	5.224	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	541158585	HVMRNMMYWNGBPQ-YADARESESA-N	405.542	5.277	30	20	HKED	
N#Cc1cccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1F	541294752	RHYMGOBJQXDUSU-QHCPKHFHSA-N	408.860	5.001	30	20	HKED	
C[C@H](NCc1ccc(CC#N)cc1)c1nc(-c2ccc(Br)cc2)cs1	541639918	QKFGOUKWZFRRRS-AWEZNQCLSA-N	412.356	5.489	30	20	HKED	
C[C@@H](CN(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nccs1	542341164	RRQGUBZPUQRWDJ-AWEZNQCLSA-N	411.914	5.336	30	20	HKED	
O=C(Nc1ccon1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542703040	DYPDJOWXOOOFOD-SNVBAGLBSA-N	421.219	5.137	30	20	HKED	
C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(C1)OCc1ccccc12	549218510	VEUYKJXQZORBIQ-NVQXNPDNSA-N	414.553	5.032	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	552133128	YDYSXLWLPZJOOS-XMMPIXPASA-N	419.544	5.401	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)c(F)c1	552341934	CUGPLSTZGMBFHB-UHFFFAOYSA-N	424.859	5.294	30	20	HKED	
Cc1cc2cc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)ccc2[nH]1	552755761	MEAZQKVDFCYACV-UHFFFAOYSA-N	406.917	5.247	30	20	HKED	
N#Cc1c(Cl)cccc1SCc1nc(Cc2cccc(Br)c2)no1	554674671	HAZBMQFIXPZJOD-UHFFFAOYSA-N	420.719	5.240	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1	554932512	WQBVZKYENBLTTB-HSQYWUDLSA-N	406.505	5.046	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1	557332291	ZZSVKLPFAFYUJI-UHFFFAOYSA-N	413.408	5.075	30	20	HKED	
N#Cc1cccc(C2(NCc3nc(-c4cc(Cl)ccc4Cl)cs3)CC2)c1	558726999	YQHCHCFAJGHADG-UHFFFAOYSA-N	400.334	5.767	30	20	HKED	
CC1(C#N)CCN(c2nnc(-c3ccc4ccccc4c3)n2Cc2ccccc2)CC1	558929362	QVMIUMHXEHQLDW-UHFFFAOYSA-N	407.521	5.277	30	20	HKED	
C[C@@H](NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(C#N)cc1Cl	565336798	ZMGJYIPJVRDAQW-GFCCVEGCSA-N	420.822	5.217	30	20	HKED	
O=C(Nc1ccc2nc(C(F)F)sc2c1)c1c(F)cc(C(F)(F)F)cc1F	576392562	RJUWTGQQORIBSD-UHFFFAOYSA-N	408.298	5.783	30	20	HKED	
C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CC1	583335426	PHJAXSZOBWPUNT-AWEZNQCLSA-N	409.411	5.491	30	20	HKED	
C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(Oc2cccnc2)cc1	589940092	USAULBCCXZFOIN-CYBMUJFWSA-N	412.276	5.543	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc12	603527522	VWQIDWSFCNTYAC-UHFFFAOYSA-N	418.497	5.588	30	20	HKED	
N#Cc1c(NC(=O)CSc2ccc(F)c(F)c2)sc2c1-c1ccccc1CC2	603991611	CYYUHUZCVHTBEN-UHFFFAOYSA-N	412.486	5.394	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(C)cs1	609207345	RLUWPCRYEGIBEV-HXUWFJFHSA-N	420.538	5.369	30	20	HKED	
CO[C@@](C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	609298536	JXQNWGSKXFZJEW-XMMPIXPASA-N	420.896	5.291	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609425116	CWHOXLGRFZDHPQ-AWEZNQCLSA-N	411.458	5.180	30	20	HKED	
Cc1ccc(OCCN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	609497795	KGMNCUWQSJHBJS-UHFFFAOYSA-N	400.478	5.004	30	20	HKED	
CC(C)(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(Cl)c1	609906900	YFEVWUUVTVOIGH-UHFFFAOYSA-N	417.896	5.380	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	610018898	DAEXAVSXQNJRFJ-LJQANCHMSA-N	413.477	5.381	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	613320029	QEEQVDRJXTUSMH-GOSISDBHSA-N	421.909	5.302	30	20	HKED	
C=CCn1c(SCc2csc(CC)n2)nnc1-c1ccc(Br)cc1	619148872	QSYCXRNQKWPAKX-UHFFFAOYSA-N	421.389	5.205	30	20	HKED	
CCOc1cccc2cc([C@@H](C)N[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)oc12	619647224	AHIHMYFXQSDVLP-KGLIPLIRSA-N	411.889	5.034	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1NC(C)=O	726429085	RYDZWQMRWBYIAA-GXDHUFHOSA-N	401.462	5.129	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1	728175292	OSPRPGOGCIYRJX-CQSZACIVSA-N	411.527	5.385	30	20	HKED	
COc1ccccc1C[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	730686084	CVVONKZNVZRBOM-YLJYHZDGSA-N	404.535	5.572	30	20	HKED	
CCc1ccc(N(Cc2ccc(C)s2)C(=O)Cc2ccc(OCC#N)cc2)cc1	731970870	LCFXTTHQEJTQSE-UHFFFAOYSA-N	404.535	5.297	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1	732593016	FTGFDZLMIVKWFH-BHDDXSALSA-N	407.473	5.122	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1	733805816	FSUHIKLHAWMQDE-PBHICJAKSA-N	420.340	5.577	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1	735003172	BUWFZHCTUCDUPW-UHFFFAOYSA-N	416.820	5.363	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	737502904	KALRWCRCYKEJTE-NRFANRHFSA-N	411.436	5.697	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccnc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	741113699	QENJUFUJUHQEJZ-QWGSZXSUSA-N	417.440	5.526	30	20	HKED	
C=CCn1c(=S)n(CN(C)Cc2csc([C@H](C)OCC)n2)c2ccccc21	743370567	FODOWXKWIONKSF-HNNXBMFYSA-N	402.589	5.002	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1OC(F)F	753401097	YTASVYBPYHEQRF-GAJOTYCWSA-N	417.362	5.313	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)OCC4CCC(C#N)CC4)cc3)o2)c1	755974972	BYHNYMGOBJMQEE-UHFFFAOYSA-N	401.466	5.199	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1	757887550	URAPTUPVVCXYNO-QFIPXVFZSA-N	417.896	5.478	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccnc(Cl)c1	757931626	REMQPQVTZOXZPA-TWGQIWQCSA-N	405.860	5.301	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1	762318045	HUBRZCZUVORPQW-UHFFFAOYSA-N	410.502	5.493	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1cccs1	762810538	AMBHPXJQIDRUPI-IBGZPJMESA-N	423.003	5.441	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(C)c1F	764567354	PBJQQGGKQBZRRD-IBGZPJMESA-N	402.425	5.196	30	20	HKED	
CCOc1ccc(Cl)cc1[C@H](C)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1	772986668	QBHNSWCWUIZJDG-MAUKXSAKSA-N	402.922	5.279	30	20	HKED	
C=C(C)CCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1	775102552	DDSFQLHARMOJTI-KGENOOAVSA-N	408.523	5.147	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)Cc2ccccc2CC#N)nc1-c1ccccc1	777406886	JWRQROXOJRSJKM-JOCHJYFZSA-N	413.521	5.437	30	20	HKED	
Cn1nc(C(F)(F)F)c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1Cl	781573406	DRIWGUFOTPPEMQ-UHFFFAOYSA-N	406.022	5.499	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C	789450678	FPCFXYILPBQQKJ-ROUUACIJSA-N	415.578	5.306	30	20	HKED	
Cc1ccc(Cn2nc(C)c(CCC(=O)[C@H](C#N)c3nccc4ccccc34)c2C)cc1	792098671	DKHFGNYFMNSHOD-VWLOTQADSA-N	422.532	5.214	30	20	HKED	
N#C[C@@H](C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)c1nccc2ccccc12	792107109	UOETWNCRWPUAIB-JPYJTQIMSA-N	421.903	5.431	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(CCC)cc1)[n+]1ccc(C(CC)CC)cc1	797798978	WXPMDDLFZSUBJA-UHFFFAOYSA-O	407.603	5.264	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	802043404	ZTPFKLFESPBMJO-FDDCHVKYSA-N	418.537	5.319	30	20	HKED	
O=C1/C(=C\c2c(F)c(F)c(F)c(F)c2F)SC(=S)N1c1ccc(F)cc1F	814277351	DUUMPEQTWQRMGC-RUDMXATFSA-N	423.334	5.066	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(Br)s1	819839312	HNTCEHWUKNLXCO-CMDGGOBGSA-N	400.297	5.381	30	20	HKED	
Cc1ccc(C(=O)N2CCCSC2=Nc2ccccc2)cc1NC(=O)c1ccco1	871596161	JYMFOCASYCHWLP-UHFFFAOYSA-N	419.506	5.107	30	20	HKED	
CC(C)c1ccc(Nc2nn(CN(C)Cc3cccc(C#N)c3)c(=S)s2)cc1	914783390	GPTPRSZSQHIPBV-UHFFFAOYSA-N	409.584	5.502	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1Cc2ccccc2S1)c1nc2cc(C(F)(F)F)ccc2s1	915103684	BOCMXNGLUOKUCJ-WBMJQRKESA-N	404.438	5.208	30	20	HKED	
CC(C)c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	916312521	BQYLERULIYBGKQ-UHFFFAOYSA-N	422.945	5.079	30	20	HKED	
CC(C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916905092	MGHCMGAKSXEJBZ-NRFANRHFSA-N	414.461	5.227	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995225	COFCOKIIOFDOSU-HNNXBMFYSA-N	421.280	5.511	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1	917026744	NXFRQIZAXOOVRR-FQEVSTJZSA-N	416.546	5.965	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nc2ccccc2o1	917510186	VPEMHLJYMYUMGQ-IBGZPJMESA-N	404.429	5.171	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@H]2C)cs1	917559325	ICDRJZVMYBGTON-NWRYFCBHSA-N	422.481	5.364	30	20	HKED	
C[C@@H](Nc1cccc(N2CCCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	920061888	LGTUXHGPLYXZQD-QGZVFWFLSA-N	422.598	5.318	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1	920104281	PFSLCHKPHZUFPT-QFIPXVFZSA-N	424.525	5.974	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4ccccc4c3Cl)n2)cc1	920141684	LSNOAGUBGMBEKP-HNNXBMFYSA-N	419.918	6.040	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc2nc(O)oc2c1	1310293014	MKDCRYNJLGMCNH-CQSZACIVSA-N	414.421	5.080	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=C(C)CC3)CCC2)cc1	1791298670	OKAHLWLIKNHRCF-KRWDZBQOSA-N	402.485	5.078	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2ccccc2)n[nH]1	1823493443	QARYJEMCEYHAPZ-RXVVDRJESA-N	422.573	5.198	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2C)CC1	1825783872	RIBYTEJBAQVKRZ-HXUWFJFHSA-N	416.631	5.282	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)CC1	1829069220	RFMUGSNPXIFRQZ-GOTSBHOMSA-N	414.634	5.367	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1	14527574	BXCPLHHYNVUNTM-UHFFFAOYSA-N	413.481	5.207	30	20	HKED	
N#CCc1ccc(N/C=C2\C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1	18992316	RMPWVFODNSHSLL-HKWRFOASSA-N	413.864	5.046	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1	25439539	WNNJWTSQDWCGCK-UHFFFAOYSA-N	424.504	5.055	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2sccc2C#N)cc1	29476673	BWWJXGPCSFHZMF-UHFFFAOYSA-N	401.491	5.348	30	20	HKED	
N=C(O)c1cccc(/N=C(\O)c2ccccc2CSc2nc3ccccc3o2)c1	32988720	XSWADTYIXOQRIA-UHFFFAOYSA-N	403.463	5.640	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)Cc1ccc(C#N)cc1	48736587	ADEVOPHAFINXPE-UHFFFAOYSA-N	413.481	5.175	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)cc(C)c1OCc1cccnc1	55570097	CBWKQKJJVSLTBW-UHFFFAOYSA-N	415.493	5.212	30	20	HKED	
C=CCN(C(=O)c1cc(Cl)ccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	61204825	JCWAFZPHAIYJIS-UHFFFAOYSA-N	424.740	5.998	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CC2	63163342	PWFDHZLJBUTQTG-UHFFFAOYSA-N	413.477	5.258	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1	63394224	LWLDDTFLOQHMJW-UHFFFAOYSA-N	409.917	5.753	30	20	HKED	
N#CCCn1cc(CNCc2cccc(COc3ccccc3)c2)c(-c2ccccc2)n1	237832438	QIPMGJLRUYGNCO-UHFFFAOYSA-N	422.532	5.333	30	20	HKED	
COC(=O)c1cc(N[C@@H](CCC#N)c2ccccc2)c2cc(Br)ccc2n1	301779852	IWYMQJWVQOHDPI-KRWDZBQOSA-N	424.298	5.241	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	303533636	RUZBEUVLQIDQGW-LEWJYISDSA-N	404.416	5.679	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc2ccccc2[nH]1	303639971	HREUFMCBYARFDZ-AWEZNQCLSA-N	416.868	5.371	30	20	HKED	
CN(Cc1ccccc1OC(F)(F)F)C(=O)NCc1ccc(F)cc1C(F)(F)F	410136318	VJVIZLZIQCWBIW-UHFFFAOYSA-N	424.316	5.085	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	429174543	FRPXTYHQJRRTQF-UHFFFAOYSA-N	418.541	5.520	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(OC(F)F)c2ncccc12)c1ccccc1	432917046	ZCMRAMQPHYJYKL-KRWDZBQOSA-N	410.424	5.393	30	20	HKED	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	434009691	BKJRLQUNSQTFLF-KKSFZXQISA-N	402.523	5.015	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cc(F)cc(F)c2)cc1	434163587	NOBIZGOVDHXDIY-UHFFFAOYSA-N	423.419	5.301	30	20	HKED	
N#CCCn1cc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c(-c2ccncc2)n1	434982796	NERLNBDNZZODNA-GVAUOCQISA-N	411.553	5.017	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccccc1	435998160	YXDRAONWUDCWMY-BZSNNMDCSA-N	415.306	5.038	30	20	HKED	
CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	437519056	WEAXFXMGTOECNM-HXUWFJFHSA-N	404.539	5.091	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1)c1ccccc1	438867059	KUQNJFBKHOBVRX-QFIPXVFZSA-N	404.489	5.241	30	20	HKED	
CCCc1c(NC(=O)N(CC)[C@@H](C)c2cccc(O)c2)cnn1-c1cccc(C#N)c1	439685415	YRKCNAJFNXQEIA-KRWDZBQOSA-N	417.513	5.017	30	20	HKED	
COc1ccc2c(c1)c(C(=O)NCC1CCC(C#N)CC1)c(C)n2Cc1ccccc1	441138226	VAZAGIIRPLTVAY-UHFFFAOYSA-N	415.537	5.066	30	20	HKED	
Cc1cnc([C@@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C2CC2)s1	460319297	NTPNDXNEBXKILA-FQEVSTJZSA-N	423.925	5.650	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(OC)CC1	460793228	NGELBYPKKARTPJ-GBXCKJPGSA-N	412.578	5.006	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc(-c4cscn4)c3)cc2)c1	463476515	ANUJBLIMGTXURU-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	464675868	ZXKMGTITXMRYJN-UHFFFAOYSA-N	407.857	5.438	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1	467041450	UKGJLGSJNYAPAD-CYBMUJFWSA-N	408.955	5.291	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCCCC[C@@H]3/C=C\c3cccs3)on2)c1	468816079	COKZEKXQOKCJLS-OEIFXAAASA-N	403.507	5.373	30	20	HKED	
Cc1ccc(OC(F)F)c([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1	468949406	ITRJAURAVGZQBO-INIZCTEOSA-N	413.468	5.353	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2cc(Cl)ccc2o1	469253808	OQIVSTFKFVNQIZ-OAHLLOKOSA-N	407.901	5.842	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	470133451	ORURKNPWVXZGSO-PSASIEDQSA-N	420.300	5.154	30	20	HKED	
CC(C)C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470541377	HHSZHVKDFRCZOC-QFIPXVFZSA-N	418.541	5.178	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)sc21	470828141	YXTBHWPQAGPTIW-UHFFFAOYSA-N	414.462	5.425	30	20	HKED	
C=CCN1CCC(NC(=O)N(CC)[C@H](C)c2ccc(-c3cccc(OC)c3)cc2)CC1	471538462	DNGFPKXZTKKCCY-HXUWFJFHSA-N	421.585	5.105	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)cc1	472099239	CWBUZNJTDZCZFN-LJQANCHMSA-N	421.547	5.046	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)c4ccccc43)cc2Cl)cc1	475237629	YCOOFDLTRZIWOU-LJQANCHMSA-N	402.837	5.313	30	20	HKED	
CC1(c2ccc(Cl)cc2)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	475296176	LAEOFYZFBVLTAQ-UHFFFAOYSA-N	419.960	5.066	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2cc(C)ccc2C)CC1	475570283	SGUBZLROKSZNSJ-UHFFFAOYSA-N	406.570	6.231	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccco1	479833200	XUOSERLQFSNCCP-UHFFFAOYSA-N	423.325	5.152	30	20	HKED	
C[C@@H](c1nnc(SCc2ccc(F)cc2C#N)n1-c1ccccc1)N1CCCCC1	483075960	VTXHQMHWZOOGSK-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483207730	GRBQSPBGEQUTBT-KRWDZBQOSA-N	414.490	5.017	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)n2)cc1	484560785	SBCUTVIQSDXKRM-HXUWFJFHSA-N	411.486	5.168	30	20	HKED	
C=CCOc1cccc(NC(=O)C(=O)N[C@@H](CCC)c2ccc(Cl)c(Cl)c2)c1	486890796	BGIFIJNOFIYWDL-IBGZPJMESA-N	421.324	5.154	30	20	HKED	
C[C@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(F)c(Br)c1	487311025	BGHICTWUZFFMLH-FOIQADDNSA-N	417.322	5.633	30	20	HKED	
CC1(C)CN(C(=O)Nc2cc(F)c(OC(F)F)cc2F)CC[C@@H]1C(F)(F)F	491383400	CBHNBBKFQNWHKE-LBPRGKRZSA-N	402.310	5.009	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3nc(-c4ccccc4)c(Br)s3)CC2)c1	492435203	JKMSLQQTMRNLNV-UHFFFAOYSA-N	424.323	5.115	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc(-c2c(F)cccc2F)cs1	500461130	GUMCTRYIUDXKQL-DLBZAZTESA-N	424.472	5.472	30	20	HKED	
COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	500746640	VUYSXFIQURYXQB-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
Cc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)nn1-c1cccc(C#N)c1	502502353	OIDYLJSUUINXCS-UHFFFAOYSA-N	418.547	5.018	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1	503149557	CXWRZKVLXUCZAW-LBPRGKRZSA-N	415.490	5.592	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	504450089	VHAPFGGBKHQSIM-KRWDZBQOSA-N	407.539	5.278	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C	506898957	RILGNNMXQSHHPT-UHFFFAOYSA-N	415.541	5.693	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)c3cc(C#N)ccc3Cl)c2)cc1	508157411	DNIHCBAZJKMYHY-UHFFFAOYSA-N	406.869	5.189	30	20	HKED	
N#Cc1cccc(NC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1	508267145	UNDOOVXHKUIRNI-UHFFFAOYSA-N	424.382	5.473	30	20	HKED	
C=CCN(C(=O)CSCC#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	512161746	BUQBUMAWGFJMAX-UHFFFAOYSA-N	405.548	5.253	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C(C)C)n1	513467481	ALVPIONXQMIYJB-IBGZPJMESA-N	404.901	5.470	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)o1	513678322	LOIXEMKBUZDSQI-HXOBKFHXSA-N	423.532	5.069	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C	517883503	FLWRJADCLMQZOC-CYBMUJFWSA-N	410.474	5.021	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccc(OC)cc4c3C)n2)cc1	518516500	HKZDFEIADBLPFP-GOSISDBHSA-N	418.474	5.372	30	20	HKED	
N#CC1(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)CCOCC1	518791323	KVVDGICMJHADAG-UHFFFAOYSA-N	409.244	5.184	30	20	HKED	
COc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	518905085	BZSQCTMVWRIXID-UHFFFAOYSA-N	424.403	5.407	30	20	HKED	
COc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1OCCCC#N	521828668	PUCISMBCWPMYFZ-DEOSSOPVSA-N	412.961	6.052	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(C)C)nc4onc(C)c34)n2)cc1	523233089	HPZYWKKONKIRQJ-KRWDZBQOSA-N	416.506	5.577	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccsc3)nc2C)cc1	523568895	ILCIVBWQJIEOIW-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
CSc1ccc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	530315610	BMTQXZDWJBQQEV-OAHLLOKOSA-N	402.610	5.675	30	20	HKED	
C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1	532360049	BSPLCGRAWVWSGJ-VWLOTQADSA-N	413.477	5.130	30	20	HKED	
C=CCC[C@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1	532931950	CIKPCBONDWVYEB-QFIPXVFZSA-N	409.530	5.764	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1C(F)F	533957070	WYTHNUGDNBNOQR-LLVKDONJSA-N	408.861	5.230	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1C(F)(F)F	535115424	IWSIALYKPSUQLD-UHFFFAOYSA-N	401.775	5.545	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1cnc2cc(C)nn2c1C)c1ccc(C(F)(F)F)cc1	539052426	ZVOREMCNQFXCKC-QRWLVFNGSA-N	402.464	5.723	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1cccc(Cl)c1	540415321	YTRPQLJFYHOOMR-HNNXBMFYSA-N	401.963	5.198	30	20	HKED	
CCN(CC)CC1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	543015930	APDTXKHKKKHGPI-HXUWFJFHSA-N	418.585	5.050	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C	546002408	HMRZZFGUVHEAFG-ZDUSSCGKSA-N	410.474	5.021	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Cc2c(F)cccc2C#N)c1	552413524	KJQLAZHLTIWSNW-BKMJKUGQSA-N	414.480	5.006	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1	553613829	RMNVZPDAOVYPHP-ZDUSSCGKSA-N	423.519	5.185	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc(CC(=O)Nc2ccc([C@@H](C)CC)cc2)no1	570127493	PSUNATXGJLVOEA-INIZCTEOSA-N	421.497	5.005	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNc1ccc(C#N)c([N+](=O)[O-])c1	583596784	CKIAVBJIICOAAZ-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
O=C(CNc1cc(C(F)(F)F)ccc1F)Nc1ccc(Cl)cc1C(F)(F)F	590293608	RJLWSKUBGXRFEL-UHFFFAOYSA-N	414.708	5.567	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(Cc1ccc(C#N)cc1)C(C)C	603618883	TUBCAFGUQBYCTH-UHFFFAOYSA-N	424.342	5.090	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCc3cccc(Br)c3)cn2)c1	603622084	JJPWITZYSYTZFN-UHFFFAOYSA-N	422.282	5.079	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-n2nccc2C)cc1	609061518	DESYJCRULOXNOU-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609177311	ONIYFPJFMYFZKG-WAIKUNEKSA-N	411.461	5.197	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cs1	609415281	MNGXILDBCUAUHV-GOSISDBHSA-N	405.523	5.111	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609506188	UTEMZAWSLRFJMK-QFIPXVFZSA-N	413.477	5.122	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1SCc1ccc(C#N)cc1	609665251	DYLJHXUHDRMQSJ-XXBNENTESA-N	412.558	5.869	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N(C)c1cccc(C#N)c1)c(C)n2Cc1ccccc1	609968884	OABMMOYIAAOQCD-UHFFFAOYSA-N	409.489	5.155	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(c3cccc(F)c3)CC2)cc1	610094867	OSBPAUQMKCPJTI-UHFFFAOYSA-N	417.440	5.309	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c(Cl)c1	611142175	QTVJUNKYRQGRLX-UHFFFAOYSA-N	411.292	5.317	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccc2ccccc2n1	613292567	OSNWCHQZZCFVNC-CQSZACIVSA-N	424.357	5.068	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c(Cl)c1	613557655	JCGALLYMHIWBDZ-UHFFFAOYSA-N	423.097	5.039	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](C)Cc1ccsc1	614681046	NAKPUGOXRDRSHK-MRXNPFEDSA-N	406.511	5.292	30	20	HKED	
Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Br)c1	618450135	JGILFYJOHHBDRN-NXEZZACHSA-N	408.155	5.151	30	20	HKED	
C=CCn1c(S[C@H](C(=O)NC2CCCCC2)C(C)C)nnc1-c1cccc(C)c1	639428075	QCARRFBBFWLNMX-FQEVSTJZSA-N	412.603	5.005	30	20	HKED	
C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1	675739799	ZZZUGYXBLHMDBY-FTYKPCCVSA-N	405.329	5.848	30	20	HKED	
COc1ccc2oc(C(C)=NNc3nc(C(F)(F)F)nc4ccccc34)c(C)c2c1	729142668	BVVIOSZYDNALLS-UHFFFAOYSA-N	414.387	5.548	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccccc2Br)cc1	729176613	JWTWUGNETDKMIJ-FQEVSTJZSA-N	405.295	5.286	30	20	HKED	
COc1ccc(Cl)cc1C(=O)/C=C\c1ccc(OCc2occc2C(=O)O)cc1	730948255	AOGFTRYFBXDZNF-YWEYNIOJSA-N	412.825	5.115	30	20	HKED	
O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(F)c(Cl)c1	730948329	CZUIHVPZYZZYGB-BAQGIRSFSA-N	400.789	5.245	30	20	HKED	
Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@H](c1ccc(O[C@@H](C)C#N)cc1)N2	731301269	LNMBYQSEALYAOP-UQBPGWFLSA-N	411.505	5.095	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cc1	731938583	QLHPEIQPQJXSDH-QXPQOBGOSA-N	404.466	5.453	30	20	HKED	
COc1ccc(OC(F)F)c(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)c1	732926324	MLCFERUCBNWYQR-ZZXKWVIFSA-N	416.392	5.516	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(F)c(Cl)c1	733079878	LPMPTZOOLQRUKE-UHFFFAOYSA-N	409.774	5.186	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)c1	733771163	OGBUFPUYIPGNSJ-CQSZACIVSA-N	419.333	5.819	30	20	HKED	
CCOc1ccc(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c(C(F)(F)F)c1	733844377	LCNBGSGVVYVGDV-OAHLLOKOSA-N	421.419	5.107	30	20	HKED	
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	735320173	MMROATMOFXYENX-KRWDZBQOSA-N	416.974	5.301	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OC2CCC2)cc1	735741728	ALBYEMGSQUASIU-DEOSSOPVSA-N	411.505	5.595	30	20	HKED	
C#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4n3C(C)C)cc2C)nc1	741971320	RGQFNSYMZTYKQE-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1	742593371	OVDPPZYRFUTSQN-KNQAVFIVSA-N	421.541	5.144	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1	743641727	MBDFSLWJNJXHJE-LJQANCHMSA-N	416.496	5.407	30	20	HKED	
N#C[C@H](C(=O)/C=C\SCc1ccco1)c1nc(-c2c(F)cccc2F)cs1	759829412	TZWGPQHUZSMQPK-FWPCIQOSSA-N	402.447	5.305	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)oc1-c1ccc(Cl)cc1	763921461	VIACCSKXMGIROK-CABCVRRESA-N	410.857	5.247	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H]2c2cc(C)ccc2C)c1=S	765078809	WJKLADFXYSVQMG-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	767585652	KGSUQCMYROIFLA-XZOQPEGZSA-N	415.493	5.450	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1	767834823	CHUNGJGOKLKNJC-MRXNPFEDSA-N	423.513	5.429	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	768401644	GBVXDSKAVULHBO-NHJJBMEFSA-N	411.590	5.016	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](Nc2snc(Cl)c2C#N)CCC3)cc1	771206163	SGAHUAUPAAXPIS-CQSZACIVSA-N	402.932	5.290	30	20	HKED	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	775986460	RRENJHCVYPHBGF-YJGRUCBDSA-N	417.484	5.379	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C	780670224	JTAOAHLWVDXORN-QWHCGFSZSA-N	404.297	5.435	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](CSC)c2ccc(C(F)(F)F)cc2)c1	781905369	NUXZWYKLANHUOG-AZUAARDMSA-N	408.489	5.580	30	20	HKED	
CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cn(CCCC#N)c3ccccc23)n1	789762765	FIANYAVSKBORTF-LJQANCHMSA-N	423.517	5.217	30	20	HKED	
C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Cl)c(C(F)(F)F)c1	791672827	RWGWIPXLSJISFK-MLGOLLRUSA-N	406.791	5.217	30	20	HKED	
O=C1OCCN1c1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	793321373	ZFLYKVHNMXOETN-UHFFFAOYSA-N	422.300	5.432	30	20	HKED	
C=C(Br)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C	797615887	LKGWAWHWGNRDJR-UHFFFAOYSA-N	418.118	5.410	30	20	HKED	
COc1ccc(-c2cc(NCc3ccc(O[C@@H](C)C#N)cc3)ccc2OC(F)F)cc1	798090533	ONJRSIUVMKDJKK-INIZCTEOSA-N	424.447	5.867	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccccc1O[C@@H](C)C#N	798214089	CRYABUBSNOIAMC-NSHDSACASA-N	416.264	5.500	30	20	HKED	
C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(F)(F)F)cn1	798670612	VLMCTEHAWTUHKD-ZDUSSCGKSA-N	416.355	5.062	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2cc(F)ccc12	805855836	NVOFSIWADOZSAI-ZDUSSCGKSA-N	421.280	5.617	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(Cl)c1F)C(=O)Nc1ccccc1Oc1ccccc1	810529560	JFIYRKNFHOUQDD-KRWDZBQOSA-N	422.843	5.161	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813217077	BHANOHSHRXLLRL-XHDPSFHLSA-N	400.322	5.174	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccccc1	817320151	YTTRXKRCEHPDIU-JWQCQUIFSA-N	424.500	5.306	30	20	HKED	
CCOc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc(Br)c1OC	861416487	SYNOUJWDVVRAHP-JYRVWZFOSA-N	421.262	5.044	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2cc(C(=O)NC(C)C)ccc2Cl)cc1OC	863998905	XMLQADONBXXTOO-UHFFFAOYSA-N	423.340	5.317	30	20	HKED	
N#C[C@@]1(c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)CC2CCC1CC2	904495216	ONMADKQNPINBTA-ZPZJFZDTSA-N	409.493	5.106	30	20	HKED	
C=C[C@H](Cc1nc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)no1)c1ccccc1	904716130	MJANYLIULSPGQU-GOSISDBHSA-N	405.498	5.274	30	20	HKED	
CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@H](C)c1ccc(C#N)cc1	914509565	QJTBNGQZQVWWBW-GOSISDBHSA-N	406.489	5.392	30	20	HKED	
N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccn1	915099120	UXKJCZFDLBKBDC-OAQYLSRUSA-N	412.880	5.007	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccc(Cl)cc1	916883420	RHANYKBIFOZRAA-SFHVURJKSA-N	410.832	5.019	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1	916910379	PLTSATQZHSUPAC-INIZCTEOSA-N	415.474	5.080	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(OC2CCCC2)cc1	916945988	HLTATBOOBRLDBQ-IBGZPJMESA-N	417.292	5.276	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F	917042285	DWJBJOMDDBUDAX-ASCRHOAZSA-N	421.325	5.220	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Cl)cc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	917043839	PJDQCKNNWMQRNP-CQSZACIVSA-N	420.843	5.877	30	20	HKED	
COc1ccc(SCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917044016	OILMQOHIXAQENG-OAHLLOKOSA-N	402.928	5.317	30	20	HKED	
CCc1oc2ccccc2c1C=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1	920398905	HCMYIAZLNYEEON-UHFFFAOYSA-N	416.264	5.903	30	20	HKED	
CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1	1786390940	GEVRTGVTYMDAAJ-OAQYLSRUSA-N	402.604	5.045	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1	1789019763	VZRNIWIOIUPIPK-QGZVFWFLSA-N	415.537	5.436	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)n(C)c3C)CCC2)cc1	1789456067	JUAUPZKVJYQHLC-JOCHJYFZSA-N	419.569	5.158	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1	1791253764	HCQVGOLZPYIEMO-KRWDZBQOSA-N	402.494	5.393	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)C[C@@H]4C)CCC3)cc2)c1	1792125381	XRQMOIDUMCKWHL-UZEJHQAJSA-N	415.537	5.107	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1	10172472	FHMFPLXPICLAQY-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc(C#N)cc1	33179092	DUYHHVBAUUJGNZ-HNNXBMFYSA-N	403.463	5.109	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCOc2ccccc2F)cc1	58516152	PZUNDFKSTFLQGW-UHFFFAOYSA-N	420.459	5.224	30	20	HKED	
C=CCN(C(=O)[C@H](C)Sc1ccc(OC)cc1)c1nc(-c2ccccc2)cs1	108274340	WLHYHZHRDFLHNA-INIZCTEOSA-N	410.564	5.519	30	20	HKED	
CN1CCC[C@@H](CNc2snc(Cl)c2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1	301267261	FTWGLKCBWIWWPZ-WFASDCNBSA-N	414.884	5.182	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(c2nc(C(F)(F)F)ccc2C#N)C3)cs1	301957327	MMRZLTLSGMUTFF-UHFFFAOYSA-N	406.458	5.028	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCc2cc(F)ccc21	303165814	IKBQFJDMURBPGX-XMMPIXPASA-N	415.468	5.394	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)c(Cl)c1	303390433	YBCVCQWABPDXMA-KGLIPLIRSA-N	422.381	5.677	30	20	HKED	
C=CCN(C(=O)c1cc(NC(C)=O)ccc1Cl)c1nc(-c2ccccc2)cs1	428335918	PLJVBOHDAUEBLM-UHFFFAOYSA-N	411.914	5.255	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc([C@@H]4CCCOC4)nc3C)n2)cc1	429681380	KNRJSIIUEGGWBY-IAGOWNOFSA-N	423.563	5.268	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccc(C#N)cc1Cl	430348827	CDVXZTBJIUXJNP-LLVKDONJSA-N	402.306	5.533	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1OCCc2sccc21	431999593	QMNBJXWEGVIAGF-MWTRTKDXSA-N	418.518	5.087	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(Br)cn1	432586074	XRWNUNXGJFCIBR-AWEZNQCLSA-N	402.336	5.579	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	433899020	WEPBPYZTWLLLSU-BBRMVZONSA-N	408.386	5.697	30	20	HKED	
C=CCC[C@H](NC(=O)c1cc(O)nc2c(Br)cccc12)c1ccccc1	435298366	LGCFIYJNZIPCGF-SFHVURJKSA-N	411.299	5.140	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCC(C(F)(F)F)CC2)cc1	435570436	XCYVQDDJJWWQLF-UHFFFAOYSA-N	418.434	5.595	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C)c1ccccc1	435733439	VOPXBACLZQRIMI-QFIPXVFZSA-N	408.542	5.072	30	20	HKED	
N#C[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1ccc(OCc2ccccc2)cc1	436018311	CKKPDQSMPIBVKB-GRERDSQWSA-N	416.443	5.315	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	437969708	NZBAWVMUKYFXIC-MAZHCROVSA-N	420.328	5.092	30	20	HKED	
N#Cc1cc(NC(=O)NC2CCSCC2)ccc1Oc1ccc(C(F)(F)F)cc1	438548649	XIXMMKCUEDKRBG-UHFFFAOYSA-N	421.444	5.386	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@H](CN(C)CCC)C1)c1ccc(C(F)(F)F)cc1	441534034	OMROGWBJFOXPSZ-YLJYHZDGSA-N	411.512	5.086	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc4c(cc3Br)CCC4)CC2)cc1	446423688	WUCFKMUJNYUUPD-UHFFFAOYSA-N	422.326	5.131	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C)c1cccc(C#N)c1	463396801	MXGWLSRLYBBEGQ-BBWFWOEESA-N	423.944	5.357	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N(Cc3cccs3)Cc3cccs3)on2)c1	468229521	GLUMRWKUXPWCBF-UHFFFAOYSA-N	405.504	5.179	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CC=C(c4ccc(F)cc4)CC3)ccc21	469063288	RJEZZSMNEDIOQJ-QFIPXVFZSA-N	403.501	5.457	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	471873178	BPHGSXIJORPORM-UHFFFAOYSA-N	406.574	5.230	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1	472057366	HPVFLTWNLPLVPL-INIZCTEOSA-N	410.905	5.239	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)coc12	473493339	VNFPTUSFWGDPHC-CYBMUJFWSA-N	423.188	5.408	30	20	HKED	
C=C[C@](C)(CCOC)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	473589446	SEFURFDMRAVFFF-LJQANCHMSA-N	412.383	5.199	30	20	HKED	
C=CCc1cc(C(=O)Nc2cccnc2-c2ccc(Cl)s2)cc(OC)c1OC	474527819	WDBDNPCYIFHDCW-UHFFFAOYSA-N	414.914	5.462	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1	475584586	IEWYQEDPPHVWGC-OAQYLSRUSA-N	402.469	5.739	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3	476081266	SKZLRIUCQCMMMV-UHFFFAOYSA-N	415.537	5.227	30	20	HKED	
COCCN(C(=O)Nc1cc(C#N)ccc1C)[C@H](C)c1cccc(C(F)(F)F)c1	476796881	YFOYTTXMDWSBCJ-OAHLLOKOSA-N	405.420	5.127	30	20	HKED	
C=C[C@@H](CC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1)c1ccccc1	478747275	FTPVPPONDXKFAM-SFHVURJKSA-N	412.489	5.480	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1cc(C#N)cs1	480333803	XJISXNVYAQKXPM-MHWRWJLKSA-N	401.516	5.311	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1cnc2ccccc2n1	483202543	TZFBFPAYBVXSAZ-MRXNPFEDSA-N	403.363	5.204	30	20	HKED	
N#CC1(F)CCN(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1	484742750	ZLIVUTQQTJGUMI-UHFFFAOYSA-N	406.288	5.120	30	20	HKED	
Cc1nc(COc2cccc(C(=O)N[C@H](CCCC#N)c3ccccc3)c2)cs1	487213784	WGXRGJVOSZYCER-JOCHJYFZSA-N	405.523	5.196	30	20	HKED	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1sc(-c2ccccc2)cc1C#N	497814017	VUCDOBYYSZUSIM-GFCCVEGCSA-N	400.862	5.485	30	20	HKED	
CC[C@@H](C)Oc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	500560332	UVDUIVKCTOUCKA-LJQANCHMSA-N	416.525	5.510	30	20	HKED	
C=CCc1cc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc(OC)c1O	500985056	WJKQFXCEYARTHM-UHFFFAOYSA-N	420.484	5.062	30	20	HKED	
CC1CCN([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)CC1	502912521	CSOJJFZKJDFBCK-HSZRJFAPSA-N	404.558	5.082	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1	503355392	BSYJLAPCEKZEDN-UHFFFAOYSA-N	417.513	5.422	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c2cc(Br)ccc2n1	505311907	NKGKKGUCMBEBLU-OAHLLOKOSA-N	422.307	5.406	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C#N)cc1	505326967	YFIORJRDBHKKIJ-ZHRRBRCNSA-N	414.896	5.750	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)nc(-c2ccc(Cl)cc2)n1	505383601	AUYAWDBMPCODAE-UNMCSNQZSA-N	416.912	5.017	30	20	HKED	
N#CCCn1cc(CN2CCC(Oc3ccccc3Cl)CC2)c(-c2ccccc2)n1	507685738	VFXFJNIMOTUQHQ-UHFFFAOYSA-N	420.944	5.161	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)cc2F)c1	510844510	HYZINDWLWUPNFB-HZPDHXFCSA-N	406.379	5.193	30	20	HKED	
C=CCn1c(SCc2nc(C)c(C)o2)nc2scc(-c3ccc(C)cc3)c2c1=O	513263194	XNWMSUDXYHWJRZ-UHFFFAOYSA-N	423.563	5.517	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	513289179	LLYMEGLFTXQZBK-OAHLLOKOSA-N	414.502	6.079	30	20	HKED	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	514820356	LOIGXLQVWXVUQM-MOPGFXCFSA-N	412.493	5.464	30	20	HKED	
N#Cc1ccc(SCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1	515571307	DHDUCRGIZJHMPX-QFIPXVFZSA-N	411.530	5.080	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1	517397045	PSXVWQLUWHVMOF-HNAYVOBHSA-N	416.978	5.159	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)CCc2ccc(Cl)cc2Cl)CC1	517665575	GEPJCKPIFKSMAJ-UHFFFAOYSA-N	417.336	5.304	30	20	HKED	
Cc1cc(-c2noc(CCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)ccc1F	518241158	YXIDWNASUBUUEL-HNNXBMFYSA-N	424.501	5.150	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1	520856694	NLVZECVLXKXCGW-ZWCUEREDSA-N	409.555	5.228	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	521636679	GZTKESROJLHBKC-FCHUYYIVSA-N	414.461	5.110	30	20	HKED	
CC1(C)Oc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2O1	521963218	MJNMUYUYQNUBCT-UHFFFAOYSA-N	400.434	5.305	30	20	HKED	
CC[C@](C)(C#N)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1	522205793	GFTMVEPZCXMAKI-LJQANCHMSA-N	421.353	5.183	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C(C)(C)C)cs1	522304120	QYEUWGNSQICLQA-MRXNPFEDSA-N	419.550	5.382	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)cc2)c1	524410970	BFNQQRRMWFWLPJ-UHFFFAOYSA-N	419.843	5.663	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1OC(F)F	524481076	IEQUNCIAAZXMCC-UHFFFAOYSA-N	415.318	5.053	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	525006830	CTRWWCVAJSZFGA-UHFFFAOYSA-N	409.555	5.054	30	20	HKED	
N#Cc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1C#N	525660565	HDRVRKHSODMORP-UHFFFAOYSA-N	406.681	5.857	30	20	HKED	
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	531075807	BAEMFPVODDMVOB-UZKOGDIHSA-N	407.583	6.271	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@](C)(O)[C@H](C)c1ccccc1	531100314	YVTMNQVYMPDJIB-CJAUYULYSA-N	400.478	5.152	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccccc1	534681688	LYVVUKDMFZBFHP-REWPJTCUSA-N	414.549	6.488	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)n2)c1	535866213	SXNLGDQFAZRWSI-UHFFFAOYSA-N	416.893	5.649	30	20	HKED	
CCCc1nc2ccccc2n1CCC(=O)Nc1ccccc1SC[C@H](C)C#N	537642810	BYKAGGSPCQYQGR-QGZVFWFLSA-N	406.555	5.269	30	20	HKED	
N#Cc1cc(F)c(C(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c(F)c1	539174794	CAWQGYVTCXLLOV-KRWDZBQOSA-N	414.761	5.390	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	539224956	INKCVDKVHFDGSB-ROUUACIJSA-N	411.571	5.015	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)s1	540599537	PWKKZGGCXYUNNP-UHFFFAOYSA-N	417.849	5.403	30	20	HKED	
Cc1cc(NC(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)nn1CCC#N	540815047	TWKMGPDFTKHPFV-XMMPIXPASA-N	409.493	5.170	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccc(-c2cccc(F)c2)c(F)c1	542224041	KTDHYIQLAUFJAA-UHFFFAOYSA-N	409.461	5.298	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c(Cl)c1	549195170	YOEHZPOYJFPRAS-SFHVURJKSA-N	411.786	5.333	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2	557463716	MZBNYLYKGSMZRP-SSZFMOIBSA-N	401.535	5.405	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	560854900	JJSNGOSHFLIEAB-QGZVFWFLSA-N	406.913	5.650	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc(O[C@H]4CCOC4)cc3)c2)cc1	572745923	AGDZMUQVYTVVEQ-QHCPKHFHSA-N	415.449	5.162	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1	581088262	AAZLHARMTHDOJP-UHFFFAOYSA-N	407.480	5.522	30	20	HKED	
Cc1cccnc1C(C)(C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	582694748	GATNFSPBJFLSQI-UHFFFAOYSA-N	400.482	5.153	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1	583650192	NVNUAMWVVPZNCL-HSZRJFAPSA-N	424.928	5.303	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cncc(C(F)(F)F)c1	584521978	MHWBNJWMMWXQOO-UHFFFAOYSA-N	414.252	5.015	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)c3cnn(C(C)C)c3n2)s1	590612771	FARGFJKMYKVHOI-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)sc2c1CCCC2	590612875	ZWXLNVGNGMAKRL-UHFFFAOYSA-N	411.914	5.378	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)o1	603956253	LOULBKBRKFMFPB-UHFFFAOYSA-N	423.428	5.042	30	20	HKED	
COc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC	604027136	IHNHHUOEVUWQFS-UHFFFAOYSA-N	422.868	5.202	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)cc1	606355315	AUEVPDUACIXPHE-UHFFFAOYSA-N	423.516	5.345	30	20	HKED	
CC(C)c1nc(C(=O)/C=C\c2cccc(/C=C/C(=O)c3coc(C(C)C)n3)c2)co1	606443316	ORUCUCYCDMLZSD-PNQPDEHRSA-N	404.466	5.702	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc2ccccc12	609060507	GLNLECURWWKGMQ-UHFFFAOYSA-N	412.514	5.842	30	20	HKED	
N#CCc1cccc(C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1	609175467	GKEQAVACYJBOBH-UHFFFAOYSA-N	402.416	5.236	30	20	HKED	
CCN(C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)[C@H](C)c1ccc(C#N)cc1	609297295	CTTBLEFYCXVSDY-CQSZACIVSA-N	413.308	5.274	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	609438952	PIZRHFOTVKYXHO-XLIONFOSSA-N	409.555	5.849	30	20	HKED	
C[C@@H](S[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1)c1ccc(C#N)cc1	609825141	IKZBDSHSFIHBBB-CHWSQXEVSA-N	407.520	6.084	30	20	HKED	
CN(C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)c1ccc(C#N)cc1F	610227321	KPKMWOICTJAYAA-UHFFFAOYSA-N	401.869	5.002	30	20	HKED	
Cc1noc(C(C)C)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346893	RNOCNALNHAHYLR-ZDUSSCGKSA-N	420.321	6.027	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	613407589	ZCIWWARLIWYQAL-OAHLLOKOSA-N	423.950	5.796	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)s3)cn2)cc1	614608982	BVOIZOISESEXJL-UHFFFAOYSA-N	421.869	5.103	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCc1ccc(C#N)c(Cl)c1	619787096	XIVCZRZXRJPXGF-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
C=C(CNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1	673343440	TYGJTUKNASHYLD-UHFFFAOYSA-N	410.473	5.057	30	20	HKED	
Fc1ccc(-c2noc(CNc3ccc(C(F)(F)C(F)(F)F)cc3)n2)cc1F	676028807	AEKNNZDVQPVDMB-UHFFFAOYSA-N	405.273	5.281	30	20	HKED	
C(=NNc1nc(-c2ccccc2)cs1)c1cn(-c2ccccc2)nc1-c1ccncc1	725730537	XQHWTJZXUHGCDE-UHFFFAOYSA-N	422.517	5.504	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1=S	725770811	BYYJQAPDFQMWMS-JOCHJYFZSA-N	417.582	5.162	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl	726484187	GWCLHMSLXJDTLH-AWEZNQCLSA-N	406.382	5.711	30	20	HKED	
Cc1cccc(C)c1N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S	726801007	CJFGXULWNAGIMP-XMHGGMMESA-N	408.548	5.392	30	20	HKED	
N#CCOc1ccc(CNC(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)cc1	727844679	GVAFNEOWINJQSN-HSZRJFAPSA-N	419.912	5.026	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C2CC2)no1	727934062	FLEXRTUUONTUHJ-NHCUHLMSSA-N	415.497	5.121	30	20	HKED	
CC(=O)c1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	727980426	KSXFBCBREOYGDV-UHFFFAOYSA-N	401.491	5.149	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(F)c(F)c1	732987086	RIVQSWWSZNRHQV-YWZLYKJASA-N	415.509	5.135	30	20	HKED	
N#C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(Br)cc1	733254643	ZSTQLKBXKINIMQ-ZDUSSCGKSA-N	405.704	5.312	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2cc(F)c(F)cc2F)cs1	734302999	YZJDTZPHKZGWPQ-UHFFFAOYSA-N	418.444	5.308	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1)c1ccncc1	745826457	ARBSDUXKERLOTM-CYFREDJKSA-N	415.537	5.777	30	20	HKED	
N#CCSc1ccccc1C(=O)NC(Cc1ccccc1F)Cc1ccccc1F	747030187	OXTINXBTXMJPSJ-UHFFFAOYSA-N	422.500	5.164	30	20	HKED	
N#CCOc1ccc(CNC2(c3noc(C4CCCCC4)n3)CCCCCC2)cc1	755187576	CPSVBVQTNCKLCQ-UHFFFAOYSA-N	408.546	5.359	30	20	HKED	
N#Cc1ccc(NC(=S)N(CCc2cccc(F)c2)C2CCCC2)cc1Cl	756809924	XSSIUMZOMAYYGA-UHFFFAOYSA-N	401.938	5.535	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1c(Cl)cccc1[N+](=O)[O-]	758108910	LYRTWZHCUIMAIG-UHFFFAOYSA-N	409.755	5.046	30	20	HKED	
O=C(/C=C\c1nc(Cl)cs1)c1ccc(Br)cc1Br	759073903	PXIUUEXMKOEJTQ-ARJAWSKDSA-N	407.514	5.218	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Br)ccc1F)c1nc2cc(F)ccc2s1	759329975	USRAQVJKDVYCFL-CYBMUJFWSA-N	421.266	5.146	30	20	HKED	
C=CCOc1ccc(C(=O)c2ccccc2)c(OCc2nnc(-c3ccccc3)o2)c1	759885545	JYLSEVLKKOGMOB-UHFFFAOYSA-N	412.445	5.111	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1F	764605985	NXTVRHATKJJPBO-GHMZBOCLSA-N	404.388	5.346	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccccc2)[C@H](C)C2CC2)c1=S	764884374	JWJUKAJCGTVCAW-LJQANCHMSA-N	419.598	5.310	30	20	HKED	
O=C(/C=C\c1cccc(OCc2ccc(F)cc2)c1)c1ccc(N2CCOC2=O)cc1	766688036	ILVWWLOZUCJFPC-MLPAPPSSSA-N	417.436	5.257	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cnc(C3CCCC3)s2)nc(-c2cccnc2)n1	767780052	ACUAOICEGATBOM-UHFFFAOYSA-N	418.448	5.118	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C	768371157	OPZNRTKVZJCAAG-GOSISDBHSA-N	420.941	5.098	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1	772616926	JTRJHPUNPWSKPB-JOCHJYFZSA-N	406.869	5.375	30	20	HKED	
C#CC[C@@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1	775398379	HVOYDQXXRCBKED-CQSZACIVSA-N	416.135	5.593	30	20	HKED	
CCOc1cc(CNc2ccccc2O[C@H](C)C#N)ccc1OCc1ccccc1	779989540	URLBVKLMNBUTQQ-LJQANCHMSA-N	402.494	5.567	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	780512207	AXCWIOWAXQOYFX-ZDUSSCGKSA-N	424.844	5.120	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782555796	PMZWUJPMZSGCTP-INIZCTEOSA-N	414.465	5.286	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	783340937	LFSQWRICKWOHDG-GOSISDBHSA-N	406.507	5.315	30	20	HKED	
N#C[C@H](C(=O)CC1CCC(C(F)(F)F)CC1)c1nc2cc(Cl)ccc2s1	783358648	PSHHJMATVJIVOY-GCZXYKMCSA-N	400.853	5.885	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1=COCCC1	783558118	WKXKDUNNFHGTQX-LBPRGKRZSA-N	421.259	5.138	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc3ccsc23)cc1	785276128	BXAGSWAZNPKIHR-FQEVSTJZSA-N	411.486	5.134	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	789449662	IKSUSUAJVRJBGP-LJQANCHMSA-N	407.558	5.258	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)c1Br	791772145	XFEXJYTVTNNONJ-GOSISDBHSA-N	421.294	5.180	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2cnn(-c3cc(C)ccc3C)c2C)cn1	792886105	SCRWAHYFONNDRF-VAWYXSNFSA-N	424.504	5.159	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)Cc2ccccc2C(F)(F)F)ccc1OC	795802697	JUPPANHJFGDKFN-QAPCUYQASA-N	406.448	5.116	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	799985453	XULOIIXMZHJNNZ-QGZVFWFLSA-N	414.461	5.252	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c1	801900443	ZZERKADDTWGIMI-NRFANRHFSA-N	418.472	5.199	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccsc1NC(=O)c1ccccc1Cl	804453743	HSRPHYHUMXULPJ-KRWDZBQOSA-N	422.937	5.018	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)cc1	809872918	RLBDTRHZHAQHFE-LOSJGSFVSA-N	422.532	5.011	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1cc(C(F)(F)F)ccn1	813220178	FPBWBKFRYFPVIC-GFCCVEGCSA-N	409.820	5.173	30	20	HKED	
N#C[C@@H](C(=O)Cc1cscc1Br)c1nc2cc(Cl)ccc2s1	815913196	KKLIMFQDANOGRO-JTQLQIEISA-N	411.733	5.193	30	20	HKED	
COc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1OCc1ccccc1	817318698	GOLOECFXNFPDQD-QHCPKHFHSA-N	414.505	5.439	30	20	HKED	
CCCCCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1	831825291	NRWDUOXLGBDDGC-HSZRJFAPSA-N	401.572	5.600	30	20	HKED	
CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915084911	AJJQKZBJLVJETA-QHCPKHFHSA-N	412.493	5.124	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915353819	XUVXWVZFEDRBJF-LOSJGSFVSA-N	411.505	5.720	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCCC(C)C)cc1	916903757	SLTDNPWNSXBHFW-QFIPXVFZSA-N	406.526	5.197	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)sc2cccc(F)c12	916915561	FOOAFLCGTYEEON-MRXNPFEDSA-N	402.450	5.463	30	20	HKED	
CC(C)(C)c1ccc(SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	917040537	LKWSASKAHRRVSG-MRXNPFEDSA-N	413.493	5.697	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2o1	917510068	KVPOPJMOZUQTJN-SOGBHIHOSA-N	404.878	6.099	30	20	HKED	
CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1	1786395052	OXGHICPGBOGXNS-NRFANRHFSA-N	422.550	5.135	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1	1792264957	ZZDCNVUZDQNNAI-UHFFFAOYSA-N	421.349	5.216	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@H](C)c3ccccc3)CC2)C1	1804865966	CMLCHHXMZHDLJR-QFIPXVFZSA-N	424.629	5.404	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)c1	10760568	UZGPNWFBIHXGIV-UHFFFAOYSA-O	413.925	5.434	30	20	HKED	
CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)cc1	11264544	QIRUGDFBFCEAKR-UHFFFAOYSA-O	417.598	6.272	30	20	HKED	
N#CCCSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1	19298211	NQSPXMKPMILPRC-UHFFFAOYSA-N	409.481	5.420	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1	56470192	IYUCUYKWIPJIJV-UHFFFAOYSA-N	413.477	5.506	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(C)cc(C)cc3C2=O)cs1	63412063	IMMDZWYKWGHFJJ-WQRHYEAKSA-N	418.518	5.412	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1	64714128	TUZBZZCNIAAYAY-GFCCVEGCSA-N	419.250	5.341	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1	69303287	LANLWSWFIYORAL-UHFFFAOYSA-N	408.914	5.732	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccc(N2CCC(O)CC2)cc1	210161788	AFGYOBFJGPWHQU-LUAWRHEFSA-N	407.897	5.457	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(Sc3cnc(C#N)cn3)n2C2CCCC2)cc1	302245352	SFNDBDZSINRCDG-UHFFFAOYSA-N	404.543	5.171	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C2SCCS2)cc1	303276257	IXYZCJHOARTQQF-AWEZNQCLSA-N	400.594	5.669	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	430511511	PGNWPJXIPHUBSA-GFCCVEGCSA-N	420.321	6.027	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)s1	430645108	NTOFHWQMOHQNHO-SFHVURJKSA-N	403.507	5.183	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccccc1	431980309	IWLGTYINEQGKHE-KRWDZBQOSA-N	407.848	5.176	30	20	HKED	
O=C(NC[C@@H]1CCC(F)(F)C1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	432465934	RIBZRHRGDCTTCG-BXKDBHETSA-N	404.301	5.043	30	20	HKED	
Cn1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc21	437180733	LKNIRMBJYUENDA-UHFFFAOYSA-N	405.273	5.002	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)ns3)n2)cc1	437375661	KMRQVJNSVLZMNV-KRWDZBQOSA-N	417.515	5.432	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1	439189051	LJXYLSRUHRXPMT-UHFFFAOYSA-N	419.525	5.024	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1	441621192	NQUFTUONIWAVPD-FXKZBUDASA-N	413.587	5.282	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N(C)[C@H](C)CC#N	444394998	FVJTXIAUFYRXBN-MRXNPFEDSA-N	407.493	5.498	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1	461924519	WMLMNKJDKFRUMJ-UHFFFAOYSA-N	415.371	5.295	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1	463920884	DZKJDIBBROQOPL-GJZGRUSLSA-N	412.946	5.739	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464411972	PPRDYUHSUZSGJE-IBGZPJMESA-N	421.378	5.041	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	464655209	NLUUVOCULHTVDY-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N[C@@H](C#N)C(C)(C)C)c2nc3ccccc3s2)c1	464706274	BSUULXUUQTWUOG-ZIBIDDQLSA-N	419.550	5.290	30	20	HKED	
CCc1cnc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	466328851	NFAYGWVOMVFMSB-LJQANCHMSA-N	424.957	5.379	30	20	HKED	
COc1cc(CN[C@@H](C)c2cc3ccccc3o2)ccc1OCc1cccc(C#N)c1	467279381	RRPOGWQWEOSXIL-SFHVURJKSA-N	412.489	5.743	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)c1cccc(F)c1	469119646	VIXLIQHWOUALLQ-MRXNPFEDSA-N	402.425	5.337	30	20	HKED	
CCCCn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1	473709892	LNTKEZQDISPANE-HXUWFJFHSA-N	406.917	5.553	30	20	HKED	
COc1ccc(CC[C@H]2CCCCN2C(=O)C[C@@H](CC#N)c2ccccc2)cc1OC	475538199	QSFGXZXUZUKFGN-DHIUTWEWSA-N	420.553	5.105	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccccc1	475757349	UFJNKWXZRMEPAS-AJTFRIOCSA-N	410.517	5.305	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(OC2CCC(C)CC2)CC1)c1ccc(F)c(F)c1	477725878	KIVUBOJVDMRHLR-QRFVXNFXSA-N	406.517	5.351	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4cncnc4)cc3F)c2)cc1	478132426	JDRKXKPGVVHBLO-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	478695729	DRUZIMWRDGNMDC-FOIQADDNSA-N	406.917	5.724	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)c(F)c2)c2ccccc2Cl)c(OC)c1	479486282	HJMNWAPQAIYJGA-HSZRJFAPSA-N	410.876	5.247	30	20	HKED	
CCc1ccc([C@H]2COCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1	480555256	NWHBQWPVBPMNMA-JOCHJYFZSA-N	417.465	5.111	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	482247403	RXMNBZSMKZEKFD-UHFFFAOYSA-N	423.582	5.403	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)N(CCC#N)CC(F)(F)F)cn2)cc1	482639353	DHKNHASDBBVCAL-UHFFFAOYSA-N	405.420	5.090	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21	483328038	ASJKFRKFOLHLOI-KSSFIOAISA-N	413.518	5.644	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	483478242	SPUKEVILTJPIFW-CYBMUJFWSA-N	411.914	5.808	30	20	HKED	
CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F	485061885	SOWHMROIWOQEOY-RTWAWAEBSA-N	416.443	5.330	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)c2)cc1	486281237	PGFANMSOKZXPQK-UHFFFAOYSA-N	415.468	5.206	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	492183081	XXDREQBXHFURTN-UHFFFAOYSA-N	419.456	5.132	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCCc1ccc(Br)s1	498453134	ZSTDUJTWKXSRFW-UHFFFAOYSA-N	405.361	5.144	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)cc1	501454673	VNRAEZRMUVNRJG-UHFFFAOYSA-N	408.860	5.305	30	20	HKED	
CCN(C)Cc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1	501902929	AXBRPGVBKFOVSC-UHFFFAOYSA-N	415.562	5.091	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(Br)s1	505965754	KTJZGLJKCLXMQW-GFCCVEGCSA-N	404.116	5.121	30	20	HKED	
N#CCC[C@H](NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)c1ccccc1	511566638	QJIMABFWKQIKJF-FPOVZHCZSA-N	419.422	5.331	30	20	HKED	
COc1ccc(CNc2ccc3nc(C(F)F)sc3c2)cc1OCCCC#N	513030845	AKEMDCXZSIPPLG-UHFFFAOYSA-N	403.454	5.537	30	20	HKED	
CCC(CC)CN(CCC#N)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	513717954	UFERDQROJUNCMT-UHFFFAOYSA-N	418.994	5.633	30	20	HKED	
C=CCN(Cc1cccs1)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	514858466	NYSTYGFRRPAOCM-GFCCVEGCSA-N	402.869	5.436	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)o3)n2)cc1	516270213	PRXAGBLYGRXQHB-SFHVURJKSA-N	418.449	5.708	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)c1	519138478	HXFCRTLYDFFBOZ-UHFFFAOYSA-N	417.336	5.258	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCC2(c3ccccc3Cl)CCOCC2)c1	521589152	VGMJFIMYHOCNIC-UHFFFAOYSA-N	414.933	5.165	30	20	HKED	
CCCN(CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H](C)c1ccccc1OC	521819744	FQJBCTGZTIJPMC-NRFANRHFSA-N	407.558	5.032	30	20	HKED	
COc1ccccc1CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	522576936	LUPXFAHMTGKSNU-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	524347733	PLYHYPOMEILDHJ-QFIPXVFZSA-N	400.547	5.602	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(c3)COC4)cc2Cl)c1	524392314	BLQIKBFXOGLANS-UHFFFAOYSA-N	404.853	5.073	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C1CC1	533596631	NEYWFIVYEUOOQT-HNNXBMFYSA-N	417.431	5.440	30	20	HKED	
CN(C(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1)c1ccccc1	536079658	IZHBAFJHUVAIOK-UHFFFAOYSA-N	415.518	5.027	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H](c2ccccc2)c2nccs2)cc1	536970154	TXUKRZGZLCFIPO-HSZRJFAPSA-N	424.529	5.271	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(Cl)c1Cl	537114494	UBKUHRTUQUPNTK-WDEREUQCSA-N	408.354	5.093	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1	537156030	PZFXHCZEKFOYIZ-DLBZAZTESA-N	417.509	5.122	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1	539869372	YDGKUTVAONBKRR-INIZCTEOSA-N	400.507	5.144	30	20	HKED	
Fc1ccc(-c2cnc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)cc1	540944665	HQSKBLNRIAEMFE-QGZVFWFLSA-N	418.312	5.893	30	20	HKED	
CC(C)c1ccc(-c2nc(CS(=O)(=O)Cc3ccc(CC#N)cc3)cs2)cc1	541291025	QPKDIDGDIYUUGJ-UHFFFAOYSA-N	410.564	5.115	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(CSc3ccccn3)c2)C2CC2)cc1	541441152	FEYVNZWOWVCWKF-UHFFFAOYSA-N	414.534	5.442	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccnc3C3CC3)cc2Cl)c1	543147540	VWUAEQYJILHLBQ-UHFFFAOYSA-N	403.869	5.315	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H](C)c2nccs2)cc1	544276658	GFBWVQDWESXEDW-OAHLLOKOSA-N	422.510	5.083	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3coc(C4CCCCC4)n3)n2)cc1	549079853	JLGBMZHFECRCIP-QGZVFWFLSA-N	402.479	5.208	30	20	HKED	
N#CCCC[C@H](N[C@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccccc1	550826795	HIQTZESXXIGZTM-SFTDATJTSA-N	405.542	6.351	30	20	HKED	
O=C(NCC1(C(F)(F)F)CC1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	561919192	XPPGJEKBXHDXBF-NSHDSACASA-N	422.291	5.341	30	20	HKED	
CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	583897890	PDBUVSQJQRJJCB-BGYRXZFFSA-N	416.443	5.330	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2cscc2Br)n(-c2ccccc2)c1C	588874131	IIXVKSJPLKMROJ-UHFFFAOYSA-N	400.301	5.042	30	20	HKED	
C[C@H](NC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1)c1cccc(C#N)c1	589438004	NKOLWCPITDNKPT-ZDUSSCGKSA-N	411.477	5.115	30	20	HKED	
N#Cc1cccc(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)n1	589460191	NPCACGAVCKFJCF-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc2cc(F)ccc2s1	592974244	PTNRVBGEBZPGPW-QGZVFWFLSA-N	415.449	5.178	30	20	HKED	
N#Cc1ccsc1NC(=O)COc1ccc(-c2ccc(Br)cc2)cc1	597294944	UCFLCQBSNFFJKB-UHFFFAOYSA-N	413.296	5.067	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3sc(C)c(C)c3C#N)c2C2CC2)cc1Cl	603564349	FJAWYGPBXOWOTJ-UHFFFAOYSA-N	410.930	5.514	30	20	HKED	
CCOc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1OCc1cccnc1	603627699	BWPSLQJWXLLCMC-OAQYLSRUSA-N	423.472	5.098	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)N(C)Cc3cccc(C#N)c3)s2)cc1Cl	603649573	XPFPKVCWPMLQEM-UHFFFAOYSA-N	410.930	5.231	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1ccccc1C	609061767	HOKTWZRFLPRDOO-UHFFFAOYSA-N	402.519	5.485	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CSCC(=O)Nc1cc(Cl)ccc1C#N	609238354	UZGXDRVMGNAUIG-UHFFFAOYSA-N	403.916	5.109	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1	609435211	YLVIRGGBJDQMJK-CRAIPNDOSA-N	422.579	6.060	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N[C@@H](C#N)CC(C)C)c2nc3ccccc3s2)c1	611250559	GULPUVJEFDPVEF-XLXASQRYSA-N	419.550	5.290	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	612805325	RWQHAOTXLJQKKP-RYUDHWBXSA-N	414.415	5.355	30	20	HKED	
N#CCc1ccc(-c2nc(Cc3nc4cc(C(F)(F)F)ccc4s3)no2)cc1	612881669	AWSBMVWZEXJZFV-UHFFFAOYSA-N	400.385	5.022	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)cc1	615131412	LAIKMKABPFMFNF-QGZVFWFLSA-N	402.351	5.108	30	20	HKED	
CC(C)c1c(NC(=O)c2cc3ccccc3n2CC#N)cnn1-c1ccc(Cl)cc1	616700256	CWHLKOTZEUZDEJ-UHFFFAOYSA-N	417.900	5.380	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1Cl	619826421	VPNHCJIBRAXOKI-UHFFFAOYSA-N	407.876	5.263	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	642157203	OSWBZNSXQCPXLF-QWRGUYRKSA-N	407.276	5.345	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c[nH]cc1-c1ccccc1F	683820740	WWRJJJRMXTUNJK-GHMZBOCLSA-N	422.344	5.460	30	20	HKED	
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)cc1	726801927	PYRAYURXPYFTBR-HKWRFOASSA-N	424.547	5.174	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)cn2)c1	727706877	PGXNHTVNNGQECH-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)c1	728482379	IJJQDWITVQZLHE-UHFFFAOYSA-N	408.505	5.246	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1	728482524	WAIGDXXLNLEULD-UHFFFAOYSA-N	400.425	5.395	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1	728766990	RFCKRSFGURYWLI-YSSFQJQWSA-N	416.443	5.584	30	20	HKED	
O=C(/C=C/c1c(Cl)nc2ccccn12)c1c[nH]c2cc(Br)ccc12	729937196	NURSKOWWPRZYEZ-VOTSOKGWSA-N	400.663	5.128	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1C(F)(F)F	733081259	SISZQFDXCKOSAX-CMDGGOBGSA-N	404.369	5.633	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	733621400	KBYYDEULVWEYMB-HXUWFJFHSA-N	401.466	5.312	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Oc3cccc(NC(=O)c4ccco4)c3)c2)cc1	734329878	HUYZBYKBMRQWOB-UHFFFAOYSA-N	424.412	5.415	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N	734738833	QTXYMSSDRGWASV-HUUCEWRRSA-N	410.470	5.201	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(Cl)c1	744029830	WWVZPJVNKRVHQL-JXFKEZNVSA-N	418.880	5.583	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)N(C)c3cc(Cl)ccc3C#N)c2Cl)cc1	751892229	FOXXPAYCKKNOCW-UHFFFAOYSA-N	413.308	5.003	30	20	HKED	
CCO[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(C)C	761049756	QSOLEFNZZDMYBB-KSSFIOAISA-N	411.354	5.744	30	20	HKED	
Cc1nc([C@H](C)ON=Cc2ccccc2OC(F)F)oc1-c1ccc(Cl)cc1	763169473	VCLDBOWJSQGLID-ZDUSSCGKSA-N	406.816	6.017	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNCc2ccc(Cl)cc2)cs1	764719256	VQTPSVNYFOIKGD-UHFFFAOYSA-N	419.337	5.258	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)c1=S	765051687	BLGCNOJWDULFOP-UWJYYQICSA-N	423.561	5.232	30	20	HKED	
O=C(Nc1cccc(F)n1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	767182046	XTRARTOGBYUHSF-QSOZTJJNSA-N	424.360	5.282	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	770079518	LIPPKABAIKHZEK-UHFFFAOYSA-N	417.515	5.537	30	20	HKED	
COc1cc(C=NOCc2nc(-c3c(F)cccc3F)cs2)cc(Cl)c1OC	774723538	FAKHZMNDIZOUJB-UHFFFAOYSA-N	424.856	5.310	30	20	HKED	
C[C@H](NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(OCC#N)cc1	776157099	PINSKTCCNVNDMD-NRFANRHFSA-N	422.532	5.352	30	20	HKED	
CSc1cccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccc(F)c(F)c2)c1	776164305	YUNPLDUMVSLSEM-UPCLLVRISA-N	424.516	6.029	30	20	HKED	
CC(=O)c1ccc(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	776996383	NJUDDFABWGFSRQ-OAHLLOKOSA-N	408.269	5.508	30	20	HKED	
CC(C)N(CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)OC(C)(C)C	777295166	AOAKTSBAUKHAKT-AWEZNQCLSA-N	421.950	5.162	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1	780579327	WSBWYLHWVYRWPL-ROUUACIJSA-N	401.466	5.761	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	783068979	BMYQAWAAHBTJLE-GUYCJALGSA-N	416.424	5.473	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccc(F)cc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	783071107	ZMLWOVVPBVEGAB-OAHLLOKOSA-N	418.415	5.653	30	20	HKED	
C[C@]12CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C[C@H]1C2(Cl)Cl	791255104	QWPODQMRAGGSQP-QUCCMNQESA-N	417.361	5.365	30	20	HKED	
Cc1ccc(OCc2nc(COC(=O)C[C@H](CC#N)c3ccccc3)cs2)cc1	795981003	KUVPYGJDBYIOOL-IBGZPJMESA-N	406.507	5.161	30	20	HKED	
N#Cc1cc(NCc2csc(COc3ccccc3)n2)ccc1OC(F)(F)F	799347503	XLZZIOJTEOVVIF-UHFFFAOYSA-N	405.401	5.104	30	20	HKED	
N#C[C@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1nc2ccccc2s1	915098759	CCAOBVVYCXQSTH-GOSISDBHSA-N	422.513	5.113	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1	915102269	QWWLYQKPZKYIAD-IBGZPJMESA-N	415.543	5.661	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915180343	NQYJHTBAFBNQAE-AREMUKBSSA-N	420.516	5.326	30	20	HKED	
N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1	916882466	FSRONBSQUHGCRO-MRXNPFEDSA-N	411.914	5.010	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(F)cc2)n1	916916492	UNRWANLENPBWRE-SFHVURJKSA-N	415.449	5.064	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2sc3ccccc3c2s1	916921767	BFNSBDOZCJQMGE-CQSZACIVSA-N	420.515	5.476	30	20	HKED	
C[C@@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)csc2C1	916943270	UQXOQHHAIOQSKJ-MEBBXXQBSA-N	407.322	5.141	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3ccccc3)oc2C)cc1	916949020	ZVAGAMXJSFSVGX-FOIQADDNSA-N	401.466	5.125	30	20	HKED	
Cc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1N1CCCC1	917070082	GXQZMOKKOIEYNY-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3ccccc3C2(C)C)cs1	920070380	QDQNYFVOAFORBG-UDWIEESQSA-N	422.937	6.039	30	20	HKED	
CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1cnn(-c2ccc(F)cc2)c1C	920987478	WGLREDAWILZALR-UHFFFAOYSA-N	411.790	5.223	30	20	HKED	
CC(C)CCOC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	921235752	ZSLUJONTAMBCQD-DEOSSOPVSA-N	405.542	5.401	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)CC1	1832893384	AGMSZTIAKJPJLK-GPUOULLFSA-N	422.613	5.178	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(F)cc1	7833932	IIVPFLAHOPCIJL-AWEZNQCLSA-N	407.474	5.174	30	20	HKED	
CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(Cl)s1	16343322	KNEBMCNMCLQWOS-UHFFFAOYSA-N	407.992	5.064	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCc1ccc(C#N)cc1	24616361	RGCQLWDZROUWLZ-UHFFFAOYSA-N	420.516	5.002	30	20	HKED	
Cc1nc(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c2c(C)c(C)sc2n1	24782509	KJKHZOJDFRGAOF-UHFFFAOYSA-N	424.595	5.272	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1-c1ccccc1OC	32326416	SHBAOESEDZXBDZ-UHFFFAOYSA-N	424.551	5.457	30	20	HKED	
Cn1cc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	41538048	YZFFOQHIVFHGLA-GFCCVEGCSA-N	410.713	5.599	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	46879863	YVAHUSGIVSTQHF-UHFFFAOYSA-N	401.466	5.485	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)c1	60976614	QTLQAVREWBKWIS-FQEVSTJZSA-N	400.522	5.775	30	20	HKED	
C=CCn1c(SCc2ccc(F)c(Br)c2)nnc1-c1ccoc1C	108220041	VGTICUIERQCALL-UHFFFAOYSA-N	408.296	5.226	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	301765418	SAALETIRTJHLNS-OAHLLOKOSA-N	404.825	5.555	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	303495728	LLZKULAXPAFTJF-FCHUYYIVSA-N	418.443	5.466	30	20	HKED	
C[C@@H](Cc1cccs1)N(CCCC1(C#N)CCOCC1)Cc1ccc(Cl)cc1	410421948	UCJMUTKJKAVVGZ-IBGZPJMESA-N	417.018	5.935	30	20	HKED	
Cc1cc(C)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(Br)c1	433265928	PCSRORLYNPYFRG-SFHVURJKSA-N	400.320	5.623	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl	438040815	KJBJTTTWSUIEJC-HOTGVXAUSA-N	413.974	6.492	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	438055694	YNZUVFOCHKPTGT-PMACEKPBSA-N	422.598	5.209	30	20	HKED	
COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	438060684	XGTZMEXWZLAOPJ-QUCCMNQESA-N	423.582	5.576	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	438068336	YCSKWXCPVPRMRJ-SFHVURJKSA-N	415.493	5.454	30	20	HKED	
N#Cc1cccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1	439044867	VDCSOFBFEFJTPZ-UHFFFAOYSA-N	422.941	5.560	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3ccc(Oc4ccccc4C#N)c(F)c3)o2)cc1	439664131	UFWRCQGFYJMRMY-INIZCTEOSA-N	414.440	6.021	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnc(-c2ccccc2)o1	439677262	XEZHGVMMDZHZMC-OAHLLOKOSA-N	400.413	5.713	30	20	HKED	
CCCc1c(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cnn1-c1cccc(C#N)c1	440075433	IWDBBFHVOMLHDM-IRXDYDNUSA-N	404.436	5.004	30	20	HKED	
COc1cc(Cl)ccc1-c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1	445686918	LYAXDTAQBQXDRZ-YFHOEESVSA-N	404.857	5.437	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccccc1	446366449	JRQGARKEQRGHKZ-IAGOWNOFSA-N	413.802	5.427	30	20	HKED	
CC[C@H](Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccc(C#N)cc1	447595846	AWSLCYFXNZQIQR-DEOSSOPVSA-N	404.535	5.236	30	20	HKED	
CC[C@@H](N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1	447603461	XSBYMORRQSXQNN-MSOLQXFVSA-N	411.265	6.055	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2Cc2cccs2)c1	461501154	YOAJBACOAMXCIA-IBGZPJMESA-N	417.563	5.330	30	20	HKED	
C[C@H](C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cccc(C#N)c1	461783185	CHZCLAKIBVQYHD-LBPRGKRZSA-N	414.943	5.098	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1cccc(C(F)(F)F)c1	471820129	GBXPYZUIXFFEML-OAHLLOKOSA-N	406.473	6.061	30	20	HKED	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C(C)(C)C#N)cc1	476098551	XINPIXNFFNVTHY-UHFFFAOYSA-N	422.916	5.244	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	476169701	YRSDBRUANJUXSY-UHFFFAOYSA-N	408.929	6.418	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	476521944	FWTOXXNEVDAUIF-AWEZNQCLSA-N	411.527	5.382	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2NCc2ccc(Cl)cc2)cc1	476681672	BONUKVDYEPYTAA-UHFFFAOYSA-N	403.913	6.006	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1	477534820	ABUKKPUECCUSSA-MSOLQXFVSA-N	411.546	6.022	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2cccc(F)c2C)nnc1-c1ccc(C)cc1	480406476	DQIPYRWXBUEUMP-UHFFFAOYSA-N	410.518	5.008	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NC(=O)CCC)c1C	480842227	SEMLUHIFSDJNGA-UHFFFAOYSA-N	405.951	5.669	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1C(C)C	482578133	FTBZZOQZEKKMQW-MRXNPFEDSA-N	412.415	5.208	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1	483617808	COEBXTWQYXANJK-AUUYWEPGSA-N	412.415	5.210	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	487507260	IRAHVGDGPRGADO-ZDUSSCGKSA-N	401.513	5.211	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1	495080825	SCFBISNYQZOTRK-IERDGZPVSA-N	404.476	5.765	30	20	HKED	
C=CCN(C(=O)Nc1cccc(-c2ccccc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1	495459589	GBKPXYBJPCQZEW-IBGZPJMESA-N	424.508	5.110	30	20	HKED	
CCc1nc(C(C)C)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	497368709	XWVDLIWWUCWWIA-GOSISDBHSA-N	405.523	5.390	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2occc2COc2cccc(C#N)c2)cc1	505824827	HBYOQQZTGNQXQH-JOCHJYFZSA-N	413.477	5.022	30	20	HKED	
COc1ccc(-c2nc(CSCCCC3(C#N)CCOCC3)cs2)c(OC)c1	507716394	UJQGGDQTCXDWJI-UHFFFAOYSA-N	418.584	5.161	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3cccs3)C3CC3)c2)cc1	509901176	KNTPPUBARHHKNV-UHFFFAOYSA-N	417.534	5.590	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cn1	510892771	HLKNZKZRGXELKK-GOSISDBHSA-N	417.534	5.616	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)NCC#Cc1cccc(F)c1	512189360	KGSDMEFOTJGDEW-KRWDZBQOSA-N	407.514	5.012	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	513214315	GPRNCANCBPMCHF-HIFRSBDPSA-N	424.957	5.321	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2cccc(F)c2)C(C)C)cc1	513877417	YXLLXRFPRMQKSS-UHFFFAOYSA-N	409.505	5.082	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3nc4ccccc4cc3Cl)cc2)ccn1	514785665	MEMZMZWMZVQIIS-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCc4c(Cl)cccc43)cc2)ccn1	515020743	OMUDOYSXPRQYSZ-OAQYLSRUSA-N	404.857	5.208	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc2cc(Cl)ccc2s1	516714141	QSNMSQAEZUFDCQ-QGZVFWFLSA-N	419.893	5.414	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCc4c(Cl)ccc(F)c43)cc2)nc1	517646763	JLXUBRSGZUOQNH-UHFFFAOYSA-N	407.832	5.131	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(-c4ccccc4F)s3)s2)cc1	517861142	CTVCEXCGNWESQD-UHFFFAOYSA-N	420.494	5.120	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1	518150950	LBESVFGDHYTOKV-MRXNPFEDSA-N	416.502	5.855	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(OCC(F)(F)F)c1	518169441	OZVFCVUDVQMFJF-AWEZNQCLSA-N	423.460	5.201	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1	518177623	PGHPRJAQSLWNFF-UHFFFAOYSA-N	406.432	5.591	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)cc2)nc1	518895402	XTTTWXZUHQJKOG-QHCPKHFHSA-N	401.441	5.156	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2)n1	523485924	GMMYQGOUJSKIPT-INIZCTEOSA-N	402.306	5.420	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCSC[C@@H]3c3ccccc3)cc2)c1	523787805	VAQNZAWFEYNTDY-HSZRJFAPSA-N	415.518	5.673	30	20	HKED	
Cc1ccc(-c2cnc(S[C@H](C(N)=O)c3ccc(C#N)cc3)n2-c2ccccc2)cc1	524534993	LZGZTXZTPBNJRX-QHCPKHFHSA-N	424.529	5.038	30	20	HKED	
Cc1cccc([C@@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	524989907	NQUSJTXSLQWLRW-FQEVSTJZSA-N	413.521	5.565	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2cc(-c3ncco3)ccc2C)c1	533952267	WZERCOTUPWPPTQ-LJQANCHMSA-N	402.498	5.014	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(F)cc2F)CC1	534162765	LPAPAUVKFKERRH-AWEZNQCLSA-N	401.482	5.212	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1c(C)noc1C	536060331	XGHTUAQQPBHFLG-HXUWFJFHSA-N	422.460	5.154	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1F	536443692	GXKNVXWGCISGMK-UHFFFAOYSA-N	402.784	5.223	30	20	HKED	
CC(C)Cn1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C(F)F)n1	536444856	YIQUPBKIJRFGPB-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
CC(=O)Nc1cc(NCc2cccc(OCc3ccccc3C#N)c2)ccc1Cl	536502362	NHTREFRKFZKZGV-UHFFFAOYSA-N	405.885	5.361	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCOC3)cc2)c1	536814269	FKNRXAVKNPSTKY-GBXCKJPGSA-N	413.477	5.250	30	20	HKED	
O[C@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1	538174738	FSQVIRXFNFKVQS-DLBZAZTESA-N	409.345	5.031	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1F	538227471	WTJZVZDMGATFQT-OYHNWAKOSA-N	417.525	5.142	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(C2CCCCC2)n1	540647422	NFHBCEAOUYXYBN-UHFFFAOYSA-N	415.497	5.316	30	20	HKED	
N#CC1(CCCSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)CCOCC1	540768837	SYMBQEARTXEVNL-UHFFFAOYSA-N	422.529	5.266	30	20	HKED	
CC(C)C[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccs1	541625856	OFIYGGOCQHYXLF-SJLPKXTDSA-N	401.601	5.458	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1C	542399134	HQILAMHPXZDVAQ-UHFFFAOYSA-N	405.542	5.768	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(Cc3cccc4cccnc34)no2)c2ccccc21	545601037	BNPUBGDJOLVFKB-QXMHVHEDSA-N	405.461	5.247	30	20	HKED	
Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)sc2ccc(C#N)cc12	556279454	ZZAKSMQUZWFNEA-LAUBAEHRSA-N	417.578	5.207	30	20	HKED	
C=CCc1cc(C(=O)Nc2cccc(Br)c2Cl)cc(OC)c1OC	558816432	WBAXYHWECWIGNU-UHFFFAOYSA-N	410.695	5.101	30	20	HKED	
Cc1noc([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	562121403	JFPHAJAAOGPMCA-NRFANRHFSA-N	417.469	5.110	30	20	HKED	
Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc(C)c1OC(F)F	593661795	AQUVSFQPSMLXBV-RYUDHWBXSA-N	419.312	5.108	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	601113803	ZVLVXARBMXUQMT-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)cc1	603637890	GEIOEOQEPSQFBG-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)s2)cc1	603649732	HTQNESDDLLUASX-FQEVSTJZSA-N	406.486	5.114	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)NC1(C#N)CCCCC1	604046404	DUYVDFBOJLIIFA-INIZCTEOSA-N	422.916	5.147	30	20	HKED	
C=CCCCN(C)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606929309	MVYYYDMZVOGRQQ-CQSZACIVSA-N	422.392	5.550	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)o2)cc1	609055371	BPQJAGLMCJZKLZ-LJQANCHMSA-N	424.909	5.351	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3	609078417	PGSWTKADQUXEES-OIRDZHBESA-N	415.537	5.488	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CSc3ccc(F)cc3)cc2F)c1	609103909	IFDYDRBNDDFWDQ-UHFFFAOYSA-N	410.445	5.146	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1	609387366	ZCDLUCBVEBPKFV-HOTGVXAUSA-N	422.579	5.501	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OC2CCCCC2)nc1	609398845	XYCYQDZAAVITPM-KRWDZBQOSA-N	424.570	5.367	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(Br)cc1F	609428384	FEUBHAIIZDDWFZ-ZDUSSCGKSA-N	421.335	5.554	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl	609505443	JCEMWGCTIGONAE-SNPRPXQTSA-N	405.350	6.130	30	20	HKED	
Cc1cn2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc2n1	609724438	NBHWHAWUAJWMDD-UHFFFAOYSA-N	402.841	5.212	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c(F)c1	610219016	NIGYTSZUGOALOS-QFIPXVFZSA-N	410.901	5.349	30	20	HKED	
C[C@@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1cccc(C#N)c1	610364544	VDSYHMJBOUGEOL-QGZVFWFLSA-N	404.897	5.211	30	20	HKED	
CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1SC[C@H](C)C#N	610674436	PLTMVHSTRQVXGU-MJGOQNOKSA-N	408.571	5.201	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	610777644	VHLSXFKUAQVTNP-UHFFFAOYSA-N	409.477	5.350	30	20	HKED	
CN(CCOC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	610876346	UJPRTVRJNFPCOQ-UHFFFAOYSA-N	415.921	5.069	30	20	HKED	
CC[C@H](NCc1ccc(C#N)cc1Br)c1nc(C(F)(F)F)cs1	612490196	QEMRVIDQWNTIEL-LBPRGKRZSA-N	404.255	5.037	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	642281363	CUKXGRZLAGGYPG-SFHVURJKSA-N	415.543	5.656	30	20	HKED	
COc1ccc(NC(=S)Nc2ccccc2Oc2ncccc2C#N)cc1Cl	726899532	RTUYBDALJZAPDE-UHFFFAOYSA-N	410.886	5.216	30	20	HKED	
CC(=O)Nc1ccc(C2=NN/C(=N/[C@H](C)c3ccc(Cl)cc3Cl)SC2)cc1	727171770	FFDHQRXUKXXJFF-LLVKDONJSA-N	421.353	5.110	30	20	HKED	
COc1cc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)ccc1OC(F)F	727779956	CSTNUMZHLAQKQJ-ONNFQVAWSA-N	413.189	5.021	30	20	HKED	
O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1csc(C(=O)O)c1	730150592	VMXBIRMBJFNSRH-UTCJRWHESA-N	405.884	5.031	30	20	HKED	
CCc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	730954771	KIXOESQCGJIRMZ-UHFFFAOYSA-N	409.502	6.082	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	730996760	ZLNAVLAHHAPPLD-WTKPLQERSA-N	421.400	5.271	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H]3CCCc4ccccc43)n2)cc1	731137349	GFVGVENUKLCSGX-GHTZIAJQSA-N	402.519	5.505	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccccc2COc2cccc(C=O)c2)c1	731628017	DYOWWWNSQRSZNK-UHFFFAOYSA-N	401.462	5.285	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	733943889	ZPWLNZVJCCIZEK-JYRVWZFOSA-N	409.367	5.416	30	20	HKED	
Cc1ccc(-c2nnc(COC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)o2)cc1	738749033	GYRMGXGBTFXIDE-UHFFFAOYSA-N	410.433	5.017	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	741436210	OMJYNWCIITWCBE-MELADBBJSA-N	420.387	5.314	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3cccc(-c4ccncc4)c3)c(Cl)nc21	741467818	AJBQQCJHVWZZEY-SREVYHEPSA-N	402.885	5.624	30	20	HKED	
C#CCOc1cccc(NC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1	743148341	YBEJMVYATVZNGX-IBGZPJMESA-N	414.505	5.599	30	20	HKED	
CCN(C)c1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1	748442861	YQKAHQJZXCWGTD-GDNBJRDFSA-N	419.550	5.488	30	20	HKED	
N#CCOc1cccc(/C=C2/CC[C@H](C3CC3)/C(=C\c3cccc(OCC#N)c3)C2=O)c1	749005989	PEJVNDGOABFJNE-UOSQXVBGSA-N	424.500	5.347	30	20	HKED	
N#C[C@H](COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)Cc1ccc(F)cc1	751836706	YWVDXWVJAHGECP-LNYVXCIOSA-N	409.423	5.200	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2csc3ccccc23)cc1C#N	752308413	RRLUCKZZJVIKRT-UHFFFAOYSA-N	408.483	5.005	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](c3ccc(F)cc3)C(C)C)n2)cc1	756530092	RMPHBXWUPJSAJF-FPOVZHCZSA-N	408.498	5.574	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	760200915	FOYIZYOGBRDQMA-IBGZPJMESA-N	417.534	5.379	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1	761416284	CRXJDHWNWAAJGD-UHFFFAOYSA-N	423.727	5.713	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)CCO2)c1	761844624	IPVDRBKIEGZNTG-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	766131524	MPHPVUVVTLMRBR-DHZHZOJOSA-N	419.843	5.255	30	20	HKED	
N#C[C@@H](COC(=O)c1sc(-c2ccccc2)nc1C(F)F)Cc1cccs1	772737412	VGASGRZPWUNWIG-LBPRGKRZSA-N	404.463	5.348	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1ccc(-c2ccncc2)cc1	774130194	KPIJZZHJEQRXQO-KHPPLWFESA-N	411.910	5.092	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccc(F)cc2Cl)nnc1-c1ccccc1C	774631960	NKMDMZHFOZESIL-SFHVURJKSA-N	403.910	5.058	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(Br)n1	777973347	JSXIOPDAWRYAAN-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c12	779195680	ZUDMZEHQSOEOPU-QGZVFWFLSA-N	401.491	5.027	30	20	HKED	
Cn1nc(C(F)(F)F)c(CNc2ccc(OCc3cccc(C#N)c3)cc2)c1Cl	782159298	BJCJMVFTHWICBM-UHFFFAOYSA-N	420.822	5.155	30	20	HKED	
Cc1c(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cccc1C(=O)Nc1ccccc1	790548757	SMYQHHBEMINPLK-UHFFFAOYSA-N	422.406	5.256	30	20	HKED	
N#C[C@H](C(=O)C12CC(c3ccccc3)(C1)C2)c1nc2cc(C(F)(F)F)ccc2s1	791780510	WHYAIDDSAUHNRI-TVRCVXMWSA-N	412.436	5.613	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=Cc3sc(Cl)nc3Cl)nn2)c1	794982088	SDKCOCJMPDEQEG-UHFFFAOYSA-N	418.231	5.372	30	20	HKED	
N#CC[C@H](CC(=O)OCc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1	796738573	CVWABICXQXIMNX-NQIIRXRSSA-N	413.901	5.029	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1	796798984	OTHSZVOLMNYSPC-ZOBUZTSGSA-N	416.399	5.105	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1	796891187	DAFRYSFSGVRKPO-NHCUHLMSSA-N	423.472	5.085	30	20	HKED	
COc1cc(Br)ccc1CCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797570342	GEEBMDSWESDEKJ-AWEZNQCLSA-N	421.360	5.021	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(N(C)c3ccccc3)nc2)c2ncc[nH]2)c1	797788699	SBLPDBJEIHTBLW-PXLXIMEGSA-N	410.477	5.005	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	798213140	NQEDQLZERISODB-UHFFFAOYSA-N	409.364	5.078	30	20	HKED	
C=CC[C@@H](CC)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl	798554374	PGIRXSKGSUIJHP-LLVKDONJSA-N	421.797	5.264	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(F)(F)F	807744632	FUBCXEUGJGBINH-MRVPVSSYSA-N	413.264	5.566	30	20	HKED	
COc1cc(C=NNCc2ccc(Cl)cc2Cl)ccc1OCc1ccncc1	914697029	YUUIOSPGCAAUSZ-UHFFFAOYSA-N	416.308	5.100	30	20	HKED	
Fc1ccc(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1	914707779	ZXJWTXXPMTUEQC-HTQZYQBOSA-N	406.342	5.161	30	20	HKED	
Fc1ccc(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1	914707781	ZXJWTXXPMTUEQC-YUMQZZPRSA-N	406.342	5.161	30	20	HKED	
COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2ccccc2)cc1OC	916539659	CAPSIARBPOHLFV-UHFFFAOYSA-N	412.493	5.062	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1Cc1ccccc1	917043013	FSLHGTGGUUALIT-LJQANCHMSA-N	419.937	5.906	30	20	HKED	
COCCOc1cccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)c1	917142969	SWYDQGZHLBGZKJ-FNORWQNLSA-N	401.256	5.117	30	20	HKED	
CN(CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1F	918034482	QRIJFNLESGFNRS-QFIPXVFZSA-N	416.500	5.129	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1	1830059971	IQAHDHPOMKILSW-VWLOTQADSA-N	422.613	5.237	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)cc1F	11083136	PJBFGTGCYOQKPR-UHFFFAOYSA-O	407.534	5.596	30	20	HKED	
Cc1c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc2c1CCC2	22121825	FXZNIGFVVFRTEM-QGZVFWFLSA-N	413.546	5.537	30	20	HKED	
C=C(C)COc1cc(CNCC2(c3cccc(Cl)c3)CCOCC2)ccc1OC	60948949	KRIOKZMTUMHYFK-UHFFFAOYSA-N	415.961	5.142	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1	65869832	RPZVCRJTJDISHX-UHFFFAOYSA-N	410.517	5.344	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2ccccc2Cl)c1=S	97507085	FVXANWWMISNKLB-IBGZPJMESA-N	411.962	5.110	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2	106116720	WVPSJXYNJOTOHN-CQSZACIVSA-N	403.507	5.493	30	20	HKED	
COc1cccc([C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	195627367	PPDPQXUFAQAORT-SFHVURJKSA-N	400.478	5.082	30	20	HKED	
C[C@@H](NC1(CNc2c(C#N)cnc3ccc(Cl)cc23)CCOCC1)c1ccccc1	301598358	XPWXMSIMVOUNPC-QGZVFWFLSA-N	420.944	5.072	30	20	HKED	
C=CCCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC	410360699	SIRGIKAUMKBSFZ-SFHVURJKSA-N	420.582	5.766	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1	431109707	SCMDICOCHNMCAB-UHFFFAOYSA-N	416.481	5.089	30	20	HKED	
Cc1ccc(NC(=O)[C@H](Sc2cccc(C#N)c2)c2ccccc2)c([N+](=O)[O-])c1	435039517	HIHXONPDJYYRKS-OAQYLSRUSA-N	403.463	5.247	30	20	HKED	
N#C[C@H](C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1nc2ccccc2s1	435480228	FUBRMXKFLHDQAP-MRXNPFEDSA-N	403.894	5.865	30	20	HKED	
CC(C)(C#N)CCCCSCc1nc(Cc2cccc(Br)c2)no1	435885439	JXFYRPUMVGMFQR-UHFFFAOYSA-N	408.365	5.376	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	437907558	JOSLKASBWCZKML-KRWDZBQOSA-N	410.949	5.052	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1F	438664498	ISVGARDLWUCNBK-LJQANCHMSA-N	407.470	5.920	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)c(Cl)c1	438891711	DHSQGOYCRYVGML-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1	441440109	VKJQRGJKEKDISM-OAHLLOKOSA-N	405.420	5.140	30	20	HKED	
C=CCn1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccccc1F	446054206	OABUJUNKRPVKDQ-AWEZNQCLSA-N	407.474	5.174	30	20	HKED	
C[C@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)c1cccc(C#N)c1	462389606	CJTFXYLUTJNXHY-HNNXBMFYSA-N	420.406	5.048	30	20	HKED	
CC(C)c1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c2cnn(C(C)C)c2n1	464934454	JMVYUYVJLLKLBU-NFBKMPQASA-N	415.541	5.048	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	465956021	NYKRYCVRAIKKQN-IRLDBZIGSA-N	404.901	5.663	30	20	HKED	
CCCn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc2ccccc21	469177910	PZSHAPXVVWHZEA-LJQANCHMSA-N	410.502	5.537	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1nnc(-c2cccc(Cl)c2)o1	471616648	CHFDXKJSBFUGOB-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
O=C(COc1cccc(F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474265881	NXJFOKRXIXWDTG-HNNXBMFYSA-N	409.301	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C	476084260	LRNUNSGYWBIFBT-UHFFFAOYSA-N	405.517	5.661	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1C#N	476711636	LHKZIFZLLDWPMH-UHFFFAOYSA-N	411.870	5.079	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1c2ccccc2-c2ccccc21	477537478	LWGZZPUGAJGTCJ-UHFFFAOYSA-N	417.468	5.588	30	20	HKED	
CC1(C)CN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC[C@H]1C(F)(F)F	479735530	UQZFPSHYTYOYCM-ZIAGYGMSSA-N	414.365	5.439	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nccc2ccccc12	483196465	JPYDEYKTKPSBQA-HXUWFJFHSA-N	405.482	6.002	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C	483703860	UXFJJOJPGYGDFL-QGZVFWFLSA-N	417.513	5.566	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(C(F)(F)F)nn2)c1	484131243	NCQOIQDFGBTACC-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](CC)C(=O)c3ccc(OC)cc3)o2)cc1	489784908	YMRHSYSPQGEYJI-LJQANCHMSA-N	410.495	5.064	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1	494155513	GJFDPYLOLPRGFC-UHFFFAOYSA-N	413.408	5.280	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	500752479	GGMQJWRALAOUAI-IAGOWNOFSA-N	402.416	5.966	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3ccccc3)c(Br)s2)c1	501338332	VYFXWASUPUSGMP-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1	502537492	KJNJRDOJACAFCF-HSZRJFAPSA-N	421.522	5.163	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccc(OCc2ccccc2)cc1	505336394	BHKQWODFCIKPPS-GOTSBHOMSA-N	414.530	5.226	30	20	HKED	
N#CCCN(Cc1cccnc1)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	505914159	ZTZNMYWQBNSAMD-UHFFFAOYSA-N	422.872	5.351	30	20	HKED	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12	509543651	VNDQENJFTWOJHS-KRWDZBQOSA-N	423.501	5.044	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)cc2nccnc12)c1nc(-c2ccc(Cl)cc2)cs1	510731933	KCFYEUDMAQCRTG-OAHLLOKOSA-N	408.845	5.036	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1ccc(F)cc1	510856620	JTOILBTTYJFOEV-QGZVFWFLSA-N	403.457	6.023	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1	512545522	PCIRHLOXRZTGQF-UHFFFAOYSA-N	411.461	5.412	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2)c1	513196554	GYYVARARNNYEHV-FQEVSTJZSA-N	410.395	5.478	30	20	HKED	
N#CCCCOc1cccc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1	513205566	DCZASRHWWUSNGX-UHFFFAOYSA-N	422.532	5.893	30	20	HKED	
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	513554005	MKZBWSAXTQVFLF-CLOONOSVSA-N	419.544	5.222	30	20	HKED	
C=CCN(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)Cc1ccc(Cl)s1	516299844	JKWHTXACSRHMRE-UHFFFAOYSA-N	414.745	5.947	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1OC(F)(F)F	518259075	CUMYTBRPWFFOEE-CQSZACIVSA-N	423.460	5.643	30	20	HKED	
CC(C)(C)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(F)cc1	520321816	KDDCELZIDOODBE-JOCHJYFZSA-N	403.457	5.402	30	20	HKED	
COc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	524405890	QXEZSYAMNJDPPE-UHFFFAOYSA-N	407.857	5.443	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2-c2ccccc2C1	524565499	WPTKEBUAJONDTC-GOSISDBHSA-N	413.546	6.153	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1	524943582	LVAUOTTWYBOBRN-OALUTQOASA-N	418.415	5.034	30	20	HKED	
COc1ccccc1[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1Cl	525042736	MAXUOKUIUPFRCP-HSZRJFAPSA-N	422.937	5.218	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534926984	WMXYGGQSOFVABT-MRXNPFEDSA-N	420.896	5.413	30	20	HKED	
COCCOc1ccc([C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1OC	538112802	KQFXMWAYNDDDNG-LJQANCHMSA-N	416.521	5.110	30	20	HKED	
C=CCCOCCCCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C	539520048	KGGAUKLRMOCHEL-ROUUACIJSA-N	420.981	5.445	30	20	HKED	
Cc1cnccc1N1CCC(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	542002896	RFHIMJNRLBOCNY-FQEVSTJZSA-N	424.548	5.023	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	543635596	ITRJLKSOUDWLAG-ZDUSSCGKSA-N	410.474	5.180	30	20	HKED	
N#CCC1CCN(C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)CC1	543824247	YRDKYAVWMJNYNF-UHFFFAOYSA-N	402.325	5.496	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1	548774807	RRZCJHFWIBZASR-UHFFFAOYSA-N	417.896	5.225	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1	549221139	QUFNAAPDJZFGFB-MRXNPFEDSA-N	416.443	5.092	30	20	HKED	
C=CCN(CCC#N)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	552756834	RGZOHLUXPWCQLA-UHFFFAOYSA-N	417.296	5.179	30	20	HKED	
CC1(C(=O)Nc2cccc(-c3cnco3)c2)CCN(c2ccc(Cl)cc2C#N)CC1	552847707	MVFADMCMTUZPBB-UHFFFAOYSA-N	420.900	5.112	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)N(CCC#N)c3ccc(F)cc3)c2)c1	553943279	GKOODIHIVVXLHC-UHFFFAOYSA-N	402.469	5.203	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1	561069556	MSDWKNHOHUWJJE-HXUWFJFHSA-N	406.873	5.094	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCC1(F)F	567967022	GIPDUSRONLDCJG-CYBMUJFWSA-N	405.832	5.513	30	20	HKED	
C=CCN(C(=O)c1ccc(Oc2ccc(C(=O)N(CC=C)C3CC3)cc2)cc1)C1CC1	568933585	WVCQAPRDSGGBLL-UHFFFAOYSA-N	416.521	5.060	30	20	HKED	
N#C[C@@H](C(=O)c1csc(C(F)(F)F)n1)c1nc(-c2ccc(Cl)cc2)cs1	580295797	OOSSRIMJFHQTDU-JTQLQIEISA-N	413.833	5.429	30	20	HKED	
CC(C)OCc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)oc2ccccc12	592974651	WKFNJICECRNCAH-HNNXBMFYSA-N	408.454	5.597	30	20	HKED	
N#Cc1c(NC(=O)CCCOc2ccccc2Br)sc2c1CCCC2	603727976	XPOIVOBTIJDYJM-UHFFFAOYSA-N	419.344	5.059	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNc3ccc(C#N)cc3[N+](=O)[O-])c2)c1	603870617	JJNONTXOVZMESJ-UHFFFAOYSA-N	401.426	5.031	30	20	HKED	
Cc1occc1-c1nnc(S[C@@H](C#N)Cc2ccccc2)n1Cc1ccccc1	604015388	WBHHKBRJEVRZMP-HXUWFJFHSA-N	400.507	5.122	30	20	HKED	
Cc1oc(C)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C	608889861	LPXWVQVWEOODOL-UHFFFAOYSA-N	419.428	5.395	30	20	HKED	
Cc1nc(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)sc1SCC#N	609101778	CPYYSUWCNUMPQD-MRXNPFEDSA-N	423.563	5.064	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCOc3ccccc32)cc1Cl	609102254	QAJKHPNAHQJPHP-SFTDATJTSA-N	402.881	5.500	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	609377550	YGZLNUICVLQQLD-KCXAZCMYSA-N	405.350	5.987	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1	609384741	OMIVJWADFISLHZ-KBPBESRZSA-N	422.381	5.534	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1	609436728	DHXPJQBYZVTILL-MSOLQXFVSA-N	421.566	6.832	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OC2CCCC2)nc1	609437050	MIQMHADBGZVVQJ-MRXNPFEDSA-N	410.543	5.119	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1	609811288	XTIPSVPOUWSVTB-UWJYYQICSA-N	408.571	5.516	30	20	HKED	
CC[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)c1ccc(F)cc1F	609996301	SYCSAHONMUXCRA-JOCHJYFZSA-N	422.479	5.240	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2ccc(Cl)cc2Cl)c1C	610053996	GBNSYRDOCIQNJM-UHFFFAOYSA-N	413.308	5.239	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	610275863	UTUNHEUMJWJWPK-KRWDZBQOSA-N	420.246	5.269	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccco2)s1	610798631	GSEZQPQTOHYCEP-UHFFFAOYSA-N	401.447	5.628	30	20	HKED	
CCc1nc2cc(CNC(=O)c3c(Cl)cc(C#N)cc3Cl)ccc2n1C1CC1	619818540	YWCGICXEMJKGIY-UHFFFAOYSA-N	413.308	5.042	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	671290144	ZLOYEPKTENHCMR-UHFFFAOYSA-N	416.268	5.230	30	20	HKED	
COC[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F	672601577	LZNALWYHYXOSMN-YAMSLAJTSA-N	421.784	5.666	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674447502	RTUXKCCVPJBRFC-WFFHOREQSA-N	419.287	5.008	30	20	HKED	
CCCOc1cc(F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	675388755	BXVMVGIYCLIFRY-QWRGUYRKSA-N	416.337	5.209	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1-c1ccccn1	677258608	PHUKXCXDHSJEOU-MRXNPFEDSA-N	419.893	5.510	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(Cl)c(Cl)c1	726320146	UCDYRNPNHXREEG-KRWDZBQOSA-N	417.336	5.398	30	20	HKED	
N#CCCCOc1cccc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)c1	726741825	HLGOIMIHRMUZFA-VURMDHGXSA-N	410.267	5.774	30	20	HKED	
N#CCCCOc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1	726802248	XZRHMKZNSQTIGO-LDADJPATSA-N	414.939	5.428	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1F	726858311	HURAPJAPCMFQPL-FZMZJTMJSA-N	406.404	5.824	30	20	HKED	
C#Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)cn1	728825788	HQPABXGTGCRQMZ-UHFFFAOYSA-N	417.827	5.448	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	729066735	BGLVRTFEKWDEIG-RHSMWYFYSA-N	405.523	5.036	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2nc(C)c(-c3ccccc3)o2)c1	730181058	NRZGTGOIEFHQAH-UHFFFAOYSA-N	410.473	5.390	30	20	HKED	
COc1ccc(O)c(C=Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1	733204859	CAFAJTUORZPGKN-UHFFFAOYSA-N	406.335	5.497	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=S)Nc2ccc(SC(F)F)cc2)c1	733755276	PJKQNWACRKZNQC-HNNXBMFYSA-N	407.511	5.169	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Sc3ccccc3)c2)c1	733845106	LXODFACOMNYQKU-HXUWFJFHSA-N	417.534	5.840	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(F)c1	734965682	NDQOWCUDBPQNCQ-SWLSCSKDSA-N	400.425	5.597	30	20	HKED	
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	735320020	IUAYEBUJJGPCPH-CVEARBPZSA-N	402.947	5.050	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)[nH]c12	735790541	NAAGHTLTGNPGCA-FYGXRCCRSA-N	401.466	5.629	30	20	HKED	
COc1ccc(-c2nc(SCc3cc(Cl)ccc3Cl)nc(O)c2C#N)cc1	741850750	XTTPXFLYRMMYBX-UHFFFAOYSA-N	418.305	5.329	30	20	HKED	
Cn1cc(-c2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)cn1	742960996	IIPUKZQIKYMKPX-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1	744843556	PLHFFBJHAQVWJP-SFHVURJKSA-N	424.516	5.062	30	20	HKED	
CSCC(=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O)c1ccccc1	749443027	CAJVSCCUQORUEF-UHFFFAOYSA-N	405.548	5.049	30	20	HKED	
CCCCCCOCc1cccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)c1	750700308	DGHCJRSHPMIDLL-UHFFFAOYSA-N	420.557	5.009	30	20	HKED	
CCN(Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1)C(C)C	751083971	LIUVRNLZDZMMAR-SANMLTNESA-N	411.549	5.825	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)s1)c1ccncc1	753187962	DMBXZPMELUNYJU-LSDHHAIUSA-N	406.349	5.070	30	20	HKED	
Cc1nc(/C=C\c2nc(Cl)cs2)sc1C(=O)/C=C\c1nc(Cl)cs1	759077153	RLECZPIVDHYQOX-LDIADDGTSA-N	414.364	5.738	30	20	HKED	
N#CCCCOc1cccc(/C=C2\Cc3c(F)ccc(Br)c3C2=O)c1	759090592	JHJABHLDHQAYGC-GXDHUFHOSA-N	400.247	5.093	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(C)Cc2ccc(Cl)c(Cl)c2)c1=S	764855200	DMHSXJFYTADRLE-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3OC)c3ccccc3n2)cc1	766645397	QFUNOBZBPNPGPU-UHFFFAOYSA-N	409.445	5.043	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771100142	WPGGBGHLJXLXHX-XFHJGTJQSA-N	424.497	5.188	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	772461587	DJDFMUYLDLVHSF-IRLDBZIGSA-N	419.525	5.254	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)c(F)c1	774020323	CCOBTBOWFXOHQN-NZQKXSOJSA-N	421.447	5.129	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1ccncc1	774217452	FYXSDBXEZDLCTK-FQEVSTJZSA-N	403.448	5.307	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1	780168171	ATRCUTKEOFXDLJ-QGZVFWFLSA-N	415.493	5.715	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780552460	WTIXESKUUJTFGP-RBUKOAKNSA-N	415.493	6.070	30	20	HKED	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	783070807	XENGLCDHUZYTMC-RISCZKNCSA-N	423.341	5.094	30	20	HKED	
Cc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc2cccnc12	783698117	HGQVZTZZHJTAFJ-GIJQJNRQSA-N	421.934	5.474	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1	793510503	VXCFYISRWRBNLI-HXUWFJFHSA-N	411.461	5.106	30	20	HKED	
N#CC[C@H](CC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1	796741212	FEWBDSADJXULAC-KDOFPFPSSA-N	415.333	5.940	30	20	HKED	
C=CC[C@H](OC(=O)c1cnn(C2CCOCC2)c1C)c1ccc(Cl)c(Cl)c1	797566776	TWGGIUXZFRCLDI-IBGZPJMESA-N	409.313	5.324	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cc1	804204078	ORTAMTWOPBQAGM-SGNDLWITSA-N	407.473	5.014	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	804458835	HTJLEESXCATTAQ-NJDAHSKKSA-N	400.547	5.097	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	805183081	BQCMGKKXNJCRTC-QGZVFWFLSA-N	411.530	5.330	30	20	HKED	
Cc1cc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)cc(C)c1OCc1ccccn1	806563014	QQIPYOSBZNKVMG-UOCRBVKVSA-N	413.473	5.116	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)s1	810521574	PZPNIVCKSAOXPX-LBPRGKRZSA-N	413.524	5.219	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1cc(C(F)(F)F)ccn1	813215933	MDXIJTYLRPFCLI-GFCCVEGCSA-N	417.214	5.443	30	20	HKED	
CCc1cc(NN=C(C)c2nc(-c3ccccc3)cs2)nc(-c2ccccn2)n1	814841999	NXBLOOYNTLGYNX-UHFFFAOYSA-N	400.511	5.061	30	20	HKED	
CC(=NNc1nc(-c2cccnc2)no1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	814949808	UBORHZWLRFBNDK-UHFFFAOYSA-N	415.297	5.005	30	20	HKED	
CCCCSc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1	857317016	BJWLMCCYEZSZGD-HNNXBMFYSA-N	420.629	5.166	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1	915124311	FPKLORMPWGQCCA-SFHVURJKSA-N	412.345	6.458	30	20	HKED	
CCCOc1c(Br)cc(C=C2C(=O)c3ccccc3C2=O)cc1OCC	916545470	KAYMULMXMGZGEH-UHFFFAOYSA-N	415.283	5.099	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2Cl)cc1	916846302	PFPMYFDIAZCKOW-MRXNPFEDSA-N	420.925	5.301	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997130	RMFSZXQXYILVBD-PXTSUWAFSA-N	417.292	6.146	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2cnco2)cc1	918487956	SQDNUGHLUJYTAC-FQEVSTJZSA-N	423.428	5.095	30	20	HKED	
O=C1/C(=C/c2cn3cc(Cl)ccc3n2)CC/C1=C\c1cn2cc(Cl)ccc2n1	920755054	GVIOMVSLNBQJRP-FNCQTZNRSA-N	409.276	5.119	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1	1808209707	OYSMNTVAZOPSHN-QGZVFWFLSA-N	421.006	5.015	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1	1831377366	YYUPUPCJFCGMLE-IMSXRSKXSA-N	410.602	5.012	30	20	HKED	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](CC(=O)O)CC[C@@]43C)[C@@H]1C[C@H]1O[C@]12c1cccnc1	2048528852	IHWDUZHTBQMEGU-PIDFPXNBSA-N	407.554	5.339	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)NC2CC2)cc1	22688846	HZEMFJJPXVQWIW-UHFFFAOYSA-O	407.603	5.057	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2ccc(F)c(Cl)c2)c1	23604934	RVRHVMHKNCCFCG-UHFFFAOYSA-O	416.929	5.071	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1F	56790871	VEEZWSMRYGRVIA-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1	58535316	BBZBPKURWDOINM-UHFFFAOYSA-N	409.489	5.624	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2)cs1	60477550	KIWCOWFPZOTAEF-NSHDSACASA-N	407.676	5.309	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1SCc1cc(C)on1	104914751	DVOQJGPOCJNSQU-UHFFFAOYSA-N	419.959	5.214	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	248068177	GIZXWCHUINSRRY-UHFFFAOYSA-N	415.518	5.602	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1cccnc1	302937687	IWMBOCGHCMDCJA-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	303346281	MOLNKHSEPYFDEX-ZWKOTPCHSA-N	415.493	5.037	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cs1	303460151	LGEUNZFZBRNKME-CQSZACIVSA-N	422.510	5.261	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(Cl)s1	409523350	SMGBPFMCONZZDF-UHFFFAOYSA-N	417.731	5.201	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC	410360539	ARICAKZUHLTFEQ-QGZVFWFLSA-N	417.596	5.108	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2ccccc2n1CC(F)(F)F	426293916	SBHMTQPJSDUKAX-AWEZNQCLSA-N	417.456	5.708	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OCC2CCCC2)CC1	434151525	FVEGEEKJKMWPHA-UHFFFAOYSA-N	411.464	5.082	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2cccc(C#Cc3ccccc3)c2)cs1	437680218	KRNZOTQIQSEOBU-SFHVURJKSA-N	419.550	5.304	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c2ccccc21	444337970	DQOCERJUTGURPE-IBGZPJMESA-N	421.369	5.257	30	20	HKED	
C[C@@H](c1ccco1)N(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CC1	444385132	ACCWHJBTRABOOY-INIZCTEOSA-N	419.456	5.627	30	20	HKED	
Cn1cc([C@H](NCCC(C#N)(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cn1	444688534	ZOQHNHCKJWVYSJ-AREMUKBSSA-N	424.523	5.138	30	20	HKED	
N#Cc1c(NC(=O)c2cc3ccccc3n2CC(F)(F)F)sc2c1CCCC2	447171631	JHAPHZGPXWYICB-UHFFFAOYSA-N	403.429	5.268	30	20	HKED	
COCCN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(C#N)cc1	460365393	NUXKAFAMOBVZJV-UHFFFAOYSA-N	419.531	5.190	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1Cl	463374973	KQPGGXFBQDPHEQ-JTHBVZDNSA-N	418.949	5.965	30	20	HKED	
N#C[C@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccc(Cl)c(Cl)c1	464410316	ZYXVMDQRNXFORB-ZDUSSCGKSA-N	409.141	5.285	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1	466060947	DRKHVHSDNJUXJX-RDPSFJRHSA-N	413.477	5.250	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1C	469540351	QSYKYZACVIBNEG-UHFFFAOYSA-N	417.553	6.211	30	20	HKED	
CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1F	474151654	FYNXEIAZXQTVJS-OAHLLOKOSA-N	414.502	5.220	30	20	HKED	
CC(C)c1csc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1	478599240	OZDPLSHFNYMDNV-UHFFFAOYSA-N	420.538	5.233	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(=O)N(C)C	478643178	GQPQCZAPFIKKCL-UHFFFAOYSA-N	414.465	5.005	30	20	HKED	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	480388673	YZRPUFZWRJRJSC-XMMPIXPASA-N	421.541	5.145	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1Br)c1ccc(OCC2CC2)c(F)c1	481239203	OVWDETKOVAGZJI-ZDUSSCGKSA-N	403.295	5.099	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccoc3)n2)nnc1-c1cccc(OC)c1	481358692	IOEYVRHXGMHWDI-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccccc4)nc3C)n2)cc1	483440567	HBMYAVCAEQAOIJ-LJQANCHMSA-N	410.502	5.374	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl	486881233	QJPHRXQKQRZUCL-UHFFFAOYSA-N	403.885	5.438	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1COCc1ccccc1	500008315	ATBUMUHGRSJXOI-UHFFFAOYSA-N	418.496	6.194	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N[C@@H](C1CC1)C(F)(F)F	502680035	PXHVDTFGYCXGGP-RYUDHWBXSA-N	422.291	5.339	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCCc3cc(F)c(F)cc32)c1	513499372	MIJXONBYPPANSX-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F	513876556	OMYHXCHCLDJLBV-UHFFFAOYSA-N	421.447	5.469	30	20	HKED	
C=CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	514616862	WUCPPQDRXJIAIB-UHFFFAOYSA-N	402.441	5.591	30	20	HKED	
N#C[C@@H](C(=O)c1cc2sccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	516465962	FFNWPCTVZMQJDJ-LBPRGKRZSA-N	400.937	6.230	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)cc1	517351503	OLVMYPVDAOYXHJ-UHFFFAOYSA-N	413.408	5.075	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)cc4cccnc34)cc2)nc1	517653519	IYSFWHQTRDUUDN-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	517722440	DUVZYYWVHSPQEU-UHFFFAOYSA-N	408.910	6.287	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(Cc1ccco1)c1ccccc1C#N	517775234	SUDSDTTUFWRLHD-UHFFFAOYSA-N	412.445	5.184	30	20	HKED	
CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(OCc2ccccc2C#N)cc1	518361991	MBHYJBXMWBWTPW-UHFFFAOYSA-N	404.432	5.188	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518754549	RDMDYSMYMKSYRC-UHFFFAOYSA-N	401.441	5.710	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1nc2cc(Cl)ccc2s1	520355710	NLTFGBAWSBEICZ-UHFFFAOYSA-N	403.894	5.418	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	520681779	YJWPKUKYTQSKEV-QFIPXVFZSA-N	424.472	5.707	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	520736708	LKRHDESKYUCPNN-FQEVSTJZSA-N	405.841	5.464	30	20	HKED	
O=C(NCCCCCOC1CCCCC1)Nc1cccc(C#Cc2ccccn2)c1	522070249	JLSIUDJYTGCYDS-UHFFFAOYSA-N	405.542	5.123	30	20	HKED	
CSc1cccc(N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	522364614	GLVWDCVZCDVPQX-UHFFFAOYSA-N	404.560	5.849	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OCC1CCOCC1	524990285	QCKHOOJPNMMTQX-UHFFFAOYSA-N	421.541	5.115	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1	530877601	KCBKWRCDDGNSFF-ZDUSSCGKSA-N	423.441	5.073	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)cc1	531071762	NWLJLGMQNRGLOO-UHFFFAOYSA-N	422.872	5.087	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1-c1ccccn1	533647728	GISQISDVASKSIW-MRXNPFEDSA-N	403.507	5.404	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1Cl	534177864	PBJGYEWDENMXNA-UHFFFAOYSA-N	402.759	5.674	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1F	534866416	MESIRTXCLWGYGG-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
Cc1cc(CN(C)C)cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	536214560	LJFGPNSEKMDUAK-UHFFFAOYSA-N	401.535	5.332	30	20	HKED	
COc1ccc2nc(C)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2c1	537666595	UGGKDXXNTZLKMX-MRXNPFEDSA-N	407.882	5.305	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2)CC1	538530907	GWONLGDSQBRYAD-UHFFFAOYSA-N	415.880	5.400	30	20	HKED	
CCn1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc2cc(Cl)ccc21	538906027	UZCBKSSVOQFWBP-UHFFFAOYSA-N	417.856	5.021	30	20	HKED	
Cc1csc([C@@H](NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)n1	541156058	VXMYKHHIRSDMPJ-AOMKIAJQSA-N	416.550	5.502	30	20	HKED	
CO[C@H](c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1)c1ccccc1Cl	546518289	WDHLTUBRTBJXMK-LEQVUBRHSA-N	418.884	5.498	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C)s1	549270865	SBSNYGOOBKWYLR-UHFFFAOYSA-N	420.007	5.201	30	20	HKED	
Cc1c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)sc2ccc(C#N)cc12	550626844	BYGDUFUOZHFWBI-UHFFFAOYSA-N	409.474	5.272	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1F	553306307	IRUYHSJMAOQKTI-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
CCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nnc1N1CCC(C#N)CC1	555113218	UKZZIMSQABKJLL-UHFFFAOYSA-N	422.536	5.229	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	558181861	TXFYPHWFBQSYJI-YLJYHZDGSA-N	411.571	5.111	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(-c2ccccc2OC)c1	558370059	FBWKHPMGUUFWQS-UHFFFAOYSA-N	402.494	5.591	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(OCCc2ccccc2)c1	575893309	ZETVEVADUJGWDF-UHFFFAOYSA-N	420.509	5.004	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Cc1cncc2ccccc12	583586101	CUWTXZMBMVFORL-SFHVURJKSA-N	422.488	5.420	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cccc(-c2cccc(Cl)c2)c1	585728959	ASZQLEAWRSREJP-UHFFFAOYSA-N	407.926	5.673	30	20	HKED	
Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc(C(F)(F)F)c1	588294492	OTXHWJISFJULKD-UHFFFAOYSA-N	421.394	5.100	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)nn1	590120610	GQEMRHHUPHFQEG-NRFANRHFSA-N	401.470	5.134	30	20	HKED	
C[C@@H](SCc1ccc(Br)cc1)C(=O)N(CCC#N)c1ccc(F)cc1	603452445	HHIRROUHBIAPMD-CQSZACIVSA-N	421.335	5.157	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	603968898	JVDIDWYODFMJRA-AUUYWEPGSA-N	401.491	5.134	30	20	HKED	
CCOC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1Cl	604030875	YAXQCOYUUTTXJH-UHFFFAOYSA-N	404.853	5.308	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2F)c1	609105957	GCXKONVXENCLDS-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CN2CCCCCC2)CC1	609398719	LYEQSBAGESXSDW-IBGZPJMESA-N	414.619	5.058	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)Nc3nc(C(F)(F)F)ccc3C#N)s2)cc1	609670555	SHJYHSMMZNOPRQ-LBPRGKRZSA-N	402.445	5.886	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1	609807590	CJBYDLVOEOPPBD-LJQANCHMSA-N	417.490	5.328	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4ccccc4F)CC3)c2)cc1	609930393	CDRHUJHYWOQHBY-UHFFFAOYSA-N	415.468	5.901	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1C(F)(F)F	610331157	PZRPEZPEQOCJRP-MRXNPFEDSA-N	412.415	5.470	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(Cl)c1	611096754	DYTGJCKUAJZRML-UHFFFAOYSA-N	409.700	6.092	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@H]2[C@@H]3C(F)(F)F)cc1Cl	611190946	PUBQUPLDUBRJDE-VHSSKADRSA-N	406.791	5.027	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2Cl)cc1	617343546	FOUPLECDMLCCKW-UHFFFAOYSA-N	404.853	5.606	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Br)cc1Cl	619768913	SCKOKBLHQHDWCC-GOSISDBHSA-N	418.722	5.021	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc(-c2ccc(Cl)cc2)cs1	642281122	JZXCZCHVRKQFEN-QGZVFWFLSA-N	421.909	5.228	30	20	HKED	
C=C(CNC(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1)c1ccccc1	672663143	ZFQJJTLKEWKWQY-UHFFFAOYSA-N	407.514	5.049	30	20	HKED	
CN(C(=O)[C@H]1Cc2ccc(F)cc21)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	684637779	WVXNILLSGZMYNN-JKSUJKDBSA-N	405.313	5.246	30	20	HKED	
N#C[C@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc2ccccc2n1C(F)F	727038029	CLTPILNIROUTRL-DYESRHJHSA-N	409.436	5.308	30	20	HKED	
COc1ccc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)c(OC)c1OC	727267870	UYORSTVYGUADDR-XFFZJAGNSA-N	413.470	5.180	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3csc(-c4ccccn4)n3)s2)cc1	727654185	INDRKBDVCARYPT-ZHACJKMWSA-N	403.532	5.842	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCC#N)c1ccc(OCc2ccc(F)cc2)cc1	728547861	SZXKWDASNSIPKA-KRWDZBQOSA-N	420.509	5.511	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	729828719	TVBMICILNGYHEE-QOHRORDFSA-N	416.443	5.340	30	20	HKED	
C=C(Br)CNC(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	730123181	GOVASYGNBFQZFQ-LLVKDONJSA-N	414.756	5.041	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc2cc(F)ccc2s1	730418617	XXMWVNYGDVOALB-AWEZNQCLSA-N	404.388	5.362	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	730452068	GLKLWWBIGMUVBQ-UHFFFAOYSA-N	424.925	5.716	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1nc2ccccc2n1C(F)F	730922466	RHIXSOUAJZRYKJ-IPMKNSEASA-N	401.416	5.565	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(Oc3ccccc3)c2)c1	733807632	WSIIQSJENQXDAV-OAQYLSRUSA-N	415.493	5.159	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc3c(ccc4ccccc43)o2)cs1)C1CC1	734306800	SNPVTWFPNCXQCS-YFHOEESVSA-N	402.475	5.454	30	20	HKED	
Cc1ccccc1NC(=O)COC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	735166019	WRIIHTIMSVPETJ-UHFFFAOYSA-N	420.852	5.108	30	20	HKED	
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	736160580	PDJLEJXMMGHIQY-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
COC(=O)[C@H](N[C@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	739996819	CPGBYQYVGMQIAO-WAIKUNEKSA-N	404.897	5.444	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=S)N[C@@H]3CCOc4ccccc43)cc2)c1	741493022	UWJKBBPNFSZOKM-OAQYLSRUSA-N	401.491	5.161	30	20	HKED	
COc1ccc(CN[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc1C#N	742384566	IIEYSYJXSQQXFS-HSZRJFAPSA-N	410.489	5.446	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Br)ccc2C)cc1	744032561	GXWWOCIXLRGQMB-ORAYPTAESA-N	413.315	5.232	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CC(=O)c3cccc(F)c3)n2)cc1	744060779	BALUXUFLEGWNAY-AUUYWEPGSA-N	422.481	5.043	30	20	HKED	
CCC(CC)(CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)SC	745909431	BXMZRZVSALORTC-UHFFFAOYSA-N	413.562	5.331	30	20	HKED	
O=C(/C=C/c1cccc(-c2ccccn2)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	747692475	HJTLUWUKVPZMRE-LFIBNONCSA-N	417.530	5.361	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1	749026467	WTZBHMPROSVYGQ-KRWDZBQOSA-N	411.324	5.382	30	20	HKED	
Cc1c(C(=O)/C=C\c2cnc(-c3cccs3)s2)cnn1-c1ccc(C#N)cc1	751512905	HOFWZSDJWSLLGA-HJWRWDBZSA-N	402.504	5.134	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1	752484231	GFYYNWMZXOKFJB-ZEQRLZLVSA-N	415.468	5.166	30	20	HKED	
COc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1OC1CCCC1	752633448	MFNXIKJWJGFHBU-FGZHOGPDSA-N	419.525	5.320	30	20	HKED	
C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1cccc(C)c1	753062362	NXRKWZHMVCEUNR-UHFFFAOYSA-N	424.595	5.506	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)O[C@H](C)C(C)(C)C#N)c12	753622562	ZJENRWUQVWETLX-GFCCVEGCSA-N	417.387	5.312	30	20	HKED	
COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F	755636283	VKLQHQJDLRZUEV-MOVXZBDNSA-N	417.465	5.109	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCC(=O)C3CCC(F)(F)CC3)cc2)cc1	763201246	ZYCPIMNROYOUHD-UHFFFAOYSA-N	413.420	5.096	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	764751037	YREBTYUDJJZPJZ-ACXUVZMJSA-N	412.292	5.009	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)cc1	764831252	INIMXHLNJXYLKM-LEWJYISDSA-N	411.288	5.321	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2)nc1	765863442	REMKWXQNDKJBHZ-UHFFFAOYSA-N	400.221	5.010	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)Cc1csc(-c2cccc(Br)c2)n1	768520483	LMPKERPFKKDFLC-UHFFFAOYSA-N	421.360	5.378	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)cc1	768573903	RKSIUUCCHDQKLJ-UHFFFAOYSA-N	421.884	5.133	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1NC(=O)OC(C)(C)C	772045823	GPDVYNABZQIOTA-UHFFFAOYSA-N	407.514	5.265	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	772637852	PCOSDGBYFDOREO-JOCHJYFZSA-N	422.484	5.747	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccccc2C)cc1	772972742	WBSSHUVVINGLML-IBGZPJMESA-N	416.502	5.116	30	20	HKED	
CC(C)(C)C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(F)cc1	775140156	YJHPZMIUYKNDFU-FPOVZHCZSA-N	416.500	5.130	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(N(C)C)cc1	775402469	BUMHTHKZRHPDIW-SFHVURJKSA-N	415.562	5.408	30	20	HKED	
C[C@H](Nc1ccccc1O[C@H](C)C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	779713404	SLMBBMBLEKYZHQ-MSOLQXFVSA-N	401.466	5.209	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1	780676166	ZPHWBSRWXXHZLI-KSSFIOAISA-N	414.303	5.109	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	781552149	PTFUEJAONMYLKC-ZROIWOOFSA-N	418.880	5.447	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3cccc4cnccc34)SC2=S)cc1Cl	782881650	VUQRPEQPUWFZOL-LSCVHKIXSA-N	407.907	5.166	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CC2CCC(C(F)(F)F)CC2)cc1	783358161	YHZSNPZQKCXRMH-QCNKBUPASA-N	408.464	5.606	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc2cccnc12	783711133	SPMXPMAAFDSCGJ-JYRVWZFOSA-N	405.519	5.156	30	20	HKED	
C[C@H](Sc1nnc(CSc2nc3ccccc3s2)n1C)c1cccc(C#N)c1	785437307	CHRHMVMCNPOWOR-ZDUSSCGKSA-N	423.592	5.442	30	20	HKED	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1	787193500	SGNFQDUCVWYLCD-NSHDSACASA-N	410.326	5.088	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nccc2ccccc12	792094090	MTPWLAHNCRVMLQ-FQEVSTJZSA-N	420.559	5.359	30	20	HKED	
C[C@H](OC(=O)CCCCCC#N)c1cnc(-c2ccc(Br)cc2)s1	805899866	DELGUFYSDBNJEU-ZDUSSCGKSA-N	407.333	5.651	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1	815009718	BNNPEAZNQAWENV-IZTPNPOGSA-N	418.537	5.035	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	914795809	BXYIOYYNYSEQEE-ZSHCYNCHSA-N	407.402	5.036	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104172	MOCPENZUSSCCTI-CQSZACIVSA-N	422.403	5.488	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3sccc3Br)c(Cl)nc21	915114400	MARMLWRTGZGVQK-ONEGZZNKSA-N	410.724	5.386	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	915351516	DLWTWLLXVNUIEO-KSFYIVLOSA-N	423.438	6.244	30	20	HKED	
FC(F)SCc1ccc(C=NNc2nc(C(F)(F)F)nc3ccccc23)o1	917215771	ZZWOPNHVKYXVQC-UHFFFAOYSA-N	402.348	5.143	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc3c(nc2O)CCCC3)cc1	1628611545	YLNKQLGPMKMIRT-UHFFFAOYSA-N	415.518	5.082	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)n[nH]1	1814932269	ZSKGNSBEPVKQIS-AVCGJXAMSA-N	422.573	5.054	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1	1823750212	BYROZGCTJFGQCF-QFIPXVFZSA-N	414.590	5.122	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1	1831376838	WWAIGWLWBIUAJF-GHTZIAJQSA-N	416.993	5.094	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2c(C)cccc2C)c1	11153283	MFXZOCISFKFYTM-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(Br)cc1Br)c1ccc(C#N)cc1	41648962	BGWZRHDWIDBMJT-RYUDHWBXSA-N	408.137	5.495	30	20	HKED	
CCN(Cc1csc(COc2ccc(OC)cc2)n1)[C@H](C)c1ccc(C#N)cc1	55059359	BBISSIQTZDBCPK-QGZVFWFLSA-N	407.539	5.185	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1	63303628	BZPHCFSMEBGXEI-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1	237213859	INWYZNNDWJELRX-UHFFFAOYSA-N	421.548	5.179	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(OCc3ccccc3C#N)cc1)CCC2	303550057	VVTZJHFVRGAGOX-QFIPXVFZSA-N	417.534	5.052	30	20	HKED	
C=CCn1c(SCc2nc3cc(F)ccc3n2CC)nnc1-c1ccccc1F	409896793	LUTQGUJBWXFEIO-UHFFFAOYSA-N	411.481	5.071	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Br)c(F)cc1F)c1ccc(Cl)c(Cl)c1	428804394	TXTUCBHDYBUZLF-CQSZACIVSA-N	420.040	5.029	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2cccc(SCC#N)c2)cc1	430599906	QTSIAZBHJDZNEC-QGZVFWFLSA-N	402.519	5.469	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3cccc(C#N)c3C)s2)cc1	431950220	KZEWVBBTZWPQAM-HNNXBMFYSA-N	406.511	5.190	30	20	HKED	
N#Cc1cccc(C2(C(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)CC2)c1	435056517	MKEIGOXVSBDUCA-ILPVEIHGSA-N	404.513	5.003	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	435912331	VTSHWEKBYGHSLV-MRXNPFEDSA-N	415.337	5.070	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1nc2ccccc2s1	437547459	JBHQLZZVKPQBRM-KRWDZBQOSA-N	413.433	5.734	30	20	HKED	
CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](c1ccccc1)c1ccc(F)cc1	440311382	GKBDWIVJPSZOMW-XMMPIXPASA-N	412.468	5.359	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444742592	JLHMSYFNBKLGNB-GOSISDBHSA-N	414.393	6.290	30	20	HKED	
Cc1cc(CSc2nnc(SCc3ccc(C#N)c(C)c3)s2)ccc1C#N	447301134	HGBZTFKCCORBIW-UHFFFAOYSA-N	408.577	5.483	30	20	HKED	
N#Cc1ccc(-c2nnc(COc3ccc(Cl)cc3Cc3ccccc3)o2)cc1	462556079	DTPMXMAPOKUUAR-UHFFFAOYSA-N	401.853	5.431	30	20	HKED	
CCCCCn1nc(C)cc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	465462771	JDBAUQQJVMUJIF-UHFFFAOYSA-N	418.545	5.028	30	20	HKED	
COc1cc(OC)cc(N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	466650056	SVEUVIIRKUWKSL-UHFFFAOYSA-N	422.868	5.298	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	469020904	RPLWYJNQXHCMAX-IBGZPJMESA-N	403.507	5.483	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1Cl	469294563	WPXDFNUUTUUQCY-CQSZACIVSA-N	402.325	5.749	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2c(Cl)cccc2Cl)CC1	469478373	REGFSMLCWHPOBB-ZDUSSCGKSA-N	405.350	5.915	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(Cl)c1	471764652	ZISGJWVVSKNSPU-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc(COC(F)(F)F)cc1	477135401	JNZVSPDLHNHLRL-UHFFFAOYSA-N	410.289	5.089	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1csc(-c2ccoc2)n1	481336891	BLLFSPZPZSUSAV-UHFFFAOYSA-N	424.551	5.360	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c12	483217822	NTNKXEVIUUFPAJ-SFHVURJKSA-N	422.444	5.474	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)sc21	483493562	RTMIXNMZONDTEX-VIFPVBQESA-N	422.869	5.326	30	20	HKED	
C=CCn1c(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1OC	484492037	UCFGSYJJSFEYSW-OAHLLOKOSA-N	410.499	5.210	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCCC[C@H]1c1ccccc1	484651639	UNDAZAXUQZKATI-GIVPXCGWSA-N	407.583	5.335	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(Cl)c1Br	486832258	GMZACQQKQJMLTP-UHFFFAOYSA-N	411.686	5.893	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n1	496189095	OXEZXJUECBBUIC-CYBMUJFWSA-N	404.278	5.436	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	499850030	MIJCUUGZZSRZGZ-UHFFFAOYSA-N	404.457	5.463	30	20	HKED	
C=CCN(C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc2c(s1)CCCC2	502550621	DKPDJWGCMKEYTE-UHFFFAOYSA-N	417.506	5.256	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1	502877628	OUINPALKNKSQFU-GJZGRUSLSA-N	402.416	5.097	30	20	HKED	
COCCOc1cccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	503226941	TWKPYSAYVDOZHW-UHFFFAOYSA-N	403.438	5.020	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](c2ccccc2F)C1	504059681	VPSBHWGGHHFSJF-LJQANCHMSA-N	415.468	5.820	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)o2)cc1	505541201	WBMLTMVXDIUYBH-QGZVFWFLSA-N	413.260	5.451	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc3ccccc3o2)cc1	505622917	RFRWBYPZWNPWPF-UHFFFAOYSA-N	413.433	5.072	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	505686315	NSYMQAGDQACNRQ-CVEARBPZSA-N	418.415	5.666	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)CC(C)C	505954698	PMDMPLVVHVPUHT-IBGZPJMESA-N	418.324	5.281	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C#N)C1CCCCC1	506524329	IWMZZVWIZGUCKT-QGZVFWFLSA-N	415.946	5.165	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3)cn2)cc1	507678790	QMRWWLAFHZDYEJ-UHFFFAOYSA-N	414.534	5.098	30	20	HKED	
N#CC1CCC(CNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1	508349453	OWDZDVJBYWZFCQ-CPAJTMIGSA-N	400.881	5.045	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc2c(c1)OCCO2	510381652	SBPWIJYHOUSFTK-UHFFFAOYSA-N	401.422	5.074	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4F)o3)n2)cc1	512494697	RQXFBWUPAJXELP-KRWDZBQOSA-N	413.433	5.571	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1NC(=O)c1ccccc1F	514501798	MREXDSOVBJVMPP-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc12	514534110	SVUHYCVDNVNHDH-UHFFFAOYSA-N	414.534	5.318	30	20	HKED	
N#Cc1ccc(C(=O)CNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)cc1	514959095	QGNOXUZDXSANQD-UHFFFAOYSA-N	424.884	5.115	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1	518150949	LBESVFGDHYTOKV-INIZCTEOSA-N	416.502	5.855	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)cs3)n2)cc1	519315720	DGUCBUMYJUWNRD-CYBMUJFWSA-N	419.325	5.133	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)n1-c1nccs1	519978999	DJCTWQTWWRBUTM-UHFFFAOYSA-N	414.490	5.467	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCSc2ccc(F)cc21	520195732	JENXPORLCJQTRO-CJNGLKHVSA-N	401.532	5.579	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1	520854262	JMWRVXHRMWMIOH-JJXUHFIVSA-N	413.518	5.119	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)CCC3)cc1	521886495	ZHWJYRJQTQKJDF-GOSISDBHSA-N	406.467	5.088	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	522529979	KWAPIPFRRQXNHA-VQTJNVASSA-N	418.443	5.466	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)Nc1ccccc1	525431355	DSVVJUAGUNWELG-UHFFFAOYSA-N	404.857	5.416	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2cccnc2Oc2cccc(OC)c2)c1	525516345	LZMZHVYDXKMUGF-UHFFFAOYSA-N	419.481	5.159	30	20	HKED	
CCC(CC)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)on1	525563160	ZIHZKEFBODKWHG-UHFFFAOYSA-N	411.449	5.855	30	20	HKED	
C=CCC[C@H](NC(=O)c1cnc(O)c2ccccc12)c1ccc(C(F)(F)F)cc1	530338133	XHQIKRPFVMXRAD-IBGZPJMESA-N	400.400	5.397	30	20	HKED	
C=C[C@H](CC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccccc1	534625628	OMYUGLHAMSWAFA-PZJWPPBQSA-N	416.521	5.206	30	20	HKED	
C=C[C@@H](CC(=O)N(CC)[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccccc1	534682093	FVOSEFKIXGBGMV-BVZFJXPGSA-N	406.476	5.658	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc([C@@H]2CCOC2)c1	536417817	YZLIWUVHQLPUCS-MRXNPFEDSA-N	420.456	5.467	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1	537189016	AVWIJIVKOBFXLE-CQSZACIVSA-N	412.361	5.098	30	20	HKED	
N#Cc1ccc(CN[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)o1	538452381	ONMDURMXRXGMLW-FQEVSTJZSA-N	404.363	5.219	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccco2)cc1	540309766	KKBPDEYFJZSGIP-UHFFFAOYSA-N	411.461	5.323	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N1CCC(CC#N)CC1	545228877	UOOJLTJYEGRPAN-UHFFFAOYSA-N	410.905	5.058	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1ccc(Br)cc1)c1ccncn1	545446387	IAYUIYPKSDYILR-QGZVFWFLSA-N	424.323	5.021	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@H]3OCCc4ccccc43)no2)cc1	545709404	NELSETRUWKNAHV-QFIPXVFZSA-N	413.408	5.202	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	551291556	RNTAVLPOHFKVRN-LBPRGKRZSA-N	424.307	5.597	30	20	HKED	
C[C@@](C#N)(NC(=O)c1cc(C(F)(F)F)ccc1Br)C1CCCCC1	555905294	UQXWOGYYGCDNEE-INIZCTEOSA-N	403.242	5.060	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc(-c2cccc(Cl)c2)nc1C	561215685	SSGVNJIIOJYRHM-UHFFFAOYSA-N	416.930	5.076	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)C[C@H](C)O	562193582	MEFIWEHVCHHRBU-IBGZPJMESA-N	415.493	5.074	30	20	HKED	
CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564442520	KLLQANRVSYPCHP-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCC(F)(F)c2ccccc2)cc1	564550997	PJDZQVMWHFQEES-UHFFFAOYSA-N	408.473	5.372	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nccn1-c1ccccc1	583522379	DTIDIUNMHSSSMQ-FQEVSTJZSA-N	408.505	5.174	30	20	HKED	
Cc1c(C(=O)Nc2cccc(CSC3CCOCC3)c2)sc2ccc(C#N)cc12	584425265	OWGJTHUBQSMTRX-UHFFFAOYSA-N	422.575	5.746	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1	603532950	IBRCUCBKVPPDGO-QHCPKHFHSA-N	420.871	5.196	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc1	604084824	ADOFCLMYCYWNKD-LJQANCHMSA-N	412.331	5.619	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cn2)cc1	604085883	DXNASIDMDIZFOB-OAQYLSRUSA-N	416.456	5.124	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1NC(=O)Nc1ccccc1	607433998	QKHKNSIULIGDLW-GOSISDBHSA-N	410.433	5.270	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1	609228246	LIYOVXDENDKSOY-UHFFFAOYSA-N	400.372	5.084	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	609254496	VDWGSFOMIYZKOP-UHFFFAOYSA-N	411.374	5.656	30	20	HKED	
CCCN(C(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1cc(Cl)ccc1C#N	609286278	RIAWQHZCIPRUEE-UHFFFAOYSA-N	406.917	5.130	30	20	HKED	
COc1cccc(C2(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCCC2)c1	609410680	UVNAUAWYFDIDCV-UHFFFAOYSA-N	413.477	5.205	30	20	HKED	
Cc1ccccc1-n1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2c1CCC2	609427827	ROURSLUQWLYJFQ-KRWDZBQOSA-N	416.550	5.316	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCc2ccccc2)CC1	609434590	AYBNCRIMXAHVPE-LJQANCHMSA-N	407.583	5.958	30	20	HKED	
Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	609435006	KDEBUIZHZDNOEP-LJQANCHMSA-N	423.582	5.773	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1	609448453	QHJKLABGGMQETI-AWEZNQCLSA-N	416.472	5.070	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cc3ccccc3n2CC#N)cc1	610189262	RRDOYTPVCMRFFU-SFHVURJKSA-N	409.489	5.331	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612804788	WJYDJHYOCWXNCB-GHMZBOCLSA-N	418.328	5.016	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)c1ccccc1F	613292304	GPGGOPMFFRGPFM-HXUWFJFHSA-N	423.447	5.425	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCC1	618295327	LQAKMDVVJVHDHB-KBPBESRZSA-N	411.361	5.227	30	20	HKED	
Cc1nc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)sc1Cc1ccc(F)cc1	618445228	UEZYRRAGPAUKKA-UHFFFAOYSA-N	420.296	5.612	30	20	HKED	
FC(F)(F)c1cccc(OCCCN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	620618268	WEXBEVHTDKXBSX-CHWSQXEVSA-N	423.319	5.537	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1	727330722	SMIAXNKXFUVFID-XMMPIXPASA-N	413.473	5.348	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2/CCC/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1	727744470	IQSQYLRHXHMUQW-FMWNJFGRSA-N	412.489	5.488	30	20	HKED	
C=CCN(C(=O)c1cc(F)c(Cl)nc1Cl)c1nc(-c2ccccc2)cs1	727747062	LFFLLERVLQXZPR-UHFFFAOYSA-N	408.285	5.484	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1csc(-c2ccccn2)n1	728442008	STFOUCQQWXQMQV-KTKRTIGZSA-N	407.495	5.672	30	20	HKED	
CC(C)[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	728766902	OTTRZHOJAPECPG-RTBURBONSA-N	416.493	5.479	30	20	HKED	
CC(C)[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	728768503	FCLWKSWSXSZIHK-SJORKVTESA-N	410.489	6.094	30	20	HKED	
CN(C(=O)c1sc2cc(Br)ccc2c1Cl)c1cccc(C#N)c1	729827760	SJZGEOGVWYBSHE-UHFFFAOYSA-N	405.704	5.465	30	20	HKED	
COCCOc1ccc(/C=C/C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1	730464951	PSPKBWLQRSCBKH-AWNIVKPZSA-N	409.507	5.048	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1	730686007	LFQGPGLKDRQXBO-HNAYVOBHSA-N	400.862	5.241	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12	730920302	JKTGQBHSCSGWSR-HJOGWXRNSA-N	404.469	5.444	30	20	HKED	
CCCN(C(=O)/C=C/c1ccccc1C#N)[C@@H](c1cccnc1)c1ccc(F)cc1F	732096159	DHPPUGLDZMUUTP-OPATVPMHSA-N	417.459	5.273	30	20	HKED	
C#CC[C@@H](OC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1ccccn1	733691254	DQVPOIBPEUHIIB-XMMPIXPASA-N	424.504	5.304	30	20	HKED	
Cc1ccc(-c2ccc(/C=C\C(=O)c3ccc(N4CCC(O)CC4)cc3)s2)cc1	734235084	JBJQWQYDWPWVMH-BENRWUELSA-N	403.547	5.581	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccccc2OCC(F)(F)F)S1	741853289	VCTSDYHHIYDBFG-YBEGLDIGSA-N	406.429	5.136	30	20	HKED	
CC(=O)CCc1ccc(O[C@H](C)C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1	745037451	MCBXMSRYHIAYJF-LJQANCHMSA-N	413.473	5.120	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)n1	747193295	HUHHEZXTGMREKV-UXHICEINSA-N	417.534	5.004	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cc1OCCCC#N	747361499	QRHJISPZVVWZRZ-QPEQYQDCSA-N	404.510	5.264	30	20	HKED	
Cc1sc(NC(=O)c2sccc2C#N)c(C(=O)OC(C)C)c1-c1ccccc1	748053632	UKKASXACEXTIPH-UHFFFAOYSA-N	410.520	5.474	30	20	HKED	
CO[C@H]1Cc2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2C1	752944665	RBDCRPMOGBJMQZ-NSYGIPOTSA-N	411.505	5.222	30	20	HKED	
CN(C)C(=O)Sc1cccc(CNc2cccc(Oc3ccc(C#N)cc3)c2)c1	753123299	VKEQGXXUZQLQOV-UHFFFAOYSA-N	403.507	5.736	30	20	HKED	
C[C@](O)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	754837115	NGNLVODIZNOXGA-JTHBVZDNSA-N	424.422	5.207	30	20	HKED	
FC(F)(F)c1ccc2sc(NN=Cc3c(C4CC4)nc4sccn34)nc2c1	755749282	GUDYVXDSHYBRCX-UHFFFAOYSA-N	407.446	5.348	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C(C)=C/c1ccccc1Cl	756510255	SZZAOXPFVHAECF-NRUITVPNSA-N	417.292	5.061	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C\c1ccc2ccc(Cl)cc2n1	759181256	BCULBKXZGMUKJT-OEIFXAAASA-N	413.864	5.283	30	20	HKED	
C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCO1	760006586	HURFGCLVZJESOL-RSXGOPAZSA-N	411.505	5.122	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1	760786513	SJWKMNBWCRKHJO-UHFFFAOYSA-N	406.379	5.197	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	765139234	WKVFDYKEQVRKKN-UBFVSLLYSA-N	411.505	5.384	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(Br)c1	768184422	HKKYOHDBRAYMJD-CYBMUJFWSA-N	415.234	5.056	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1	772982293	BWQJGEVVXYFKMV-DENIHFKCSA-N	402.542	5.329	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1	772982366	GNTMGFYNNHIUMC-MGPUTAFESA-N	409.530	5.789	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1NC(=O)c1ccccc1	778625529	ZSFBFCSEKJPZAO-OAHLLOKOSA-N	404.853	5.382	30	20	HKED	
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@H](C)C#N)c1	780169549	LTHOVSJNCLZVPS-LJQANCHMSA-N	422.488	5.391	30	20	HKED	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	783090341	UJXGBVKQMZDEBO-YGRLFVJLSA-N	408.376	5.098	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1ccc(OCCCC)cc1)[n+]1ccc2c(c1)CCCC2	789395596	XYTAHIUGFIQRAD-UHFFFAOYSA-O	423.602	5.019	30	20	HKED	
CC(=C/c1ccccc1C(F)(F)F)/C=C(\C(=O)C(=O)O)c1ccc2ccccc2n1	799888126	AOWQPWRWLQLXAQ-PNKQLNASSA-N	411.379	5.394	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C1CC1	806200298	COXIOVNMZGXQEQ-JOCHJYFZSA-N	413.525	5.716	30	20	HKED	
C#C[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1F	806263658	STUOIEMXNCRPOI-GUYCJALGSA-N	401.894	5.227	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1nc2ccccc2n1C(F)F	812446506	FKIGJENCBRLZSU-UHFFFAOYSA-N	420.345	5.230	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3ccnc(Br)c3)s2)cc1	814904785	YNTLCVGKZQRBCO-UHFFFAOYSA-N	417.332	5.121	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc3c(Br)ccnc23)c1	864030681	OKZFWXIZIWCNST-UHFFFAOYSA-N	417.104	5.244	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)/C=C\c1cnc2ccccc2n1	914520892	QMCPMVPEZMUARS-BENRWUELSA-N	422.463	5.196	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1	915087805	XOFPFUSJFNLHEH-SIKLNZKXSA-N	402.881	5.185	30	20	HKED	
COc1cc(C=NN(Cc2ccccc2)Cc2ccccc2)ccc1OC(=O)C1CC1	916367532	FVFYQTMUOXZAAI-UHFFFAOYSA-N	414.505	5.047	30	20	HKED	
C[C@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C1	916941928	CHHVLVULGLYEGQ-BONVTDFDSA-N	407.322	5.141	30	20	HKED	
Cc1cccc(OCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	917043781	NQQWPJRGNWPDFK-OAHLLOKOSA-N	418.440	5.577	30	20	HKED	
N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1	917046403	JPIIXURFNOAJPE-GOSISDBHSA-N	402.906	5.958	30	20	HKED	
COc1cc(C=NNc2cccc(Cl)c2F)ccc1OCc1c(C)noc1C	921137512	ADLADNNKSDWXAP-UHFFFAOYSA-N	403.841	5.118	30	20	HKED	
CC(C)(C)Oc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)cc1C#N	1129096101	NSJWBHNHKGWLHA-UHFFFAOYSA-N	421.884	5.409	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O	10310733	YLCWNQPXIPENBT-LJQANCHMSA-N	420.559	5.137	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2C)cc1	11167816	BBXWQIPCMIARKN-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(C)c2)cc1	11268662	UINBDJFGJHKDKL-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1	21514856	VQGRRIIADUYNRC-SECBINFHSA-N	417.815	5.192	30	20	HKED	
N#Cc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1	21841696	PRTAVLAKVNMMOB-DHDCSXOGSA-N	401.278	5.052	30	20	HKED	
COc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)cc1	22731301	AJRGHEXNQLIFGW-UHFFFAOYSA-O	411.572	5.020	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1nc(-c2ccccc2)cs1	41533644	YWKSFHJKOCKMLH-NRFANRHFSA-N	401.535	5.286	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1c(C)cc(Br)cc1C	63391840	XTFZDDJXRFKIML-UHFFFAOYSA-N	418.291	5.194	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)N(CCC#N)c1ccccc1	63641504	GCDWLJBHEQKCIY-HXUWFJFHSA-N	424.504	5.406	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1	105916603	FZOYCCQCHQIECI-UHFFFAOYSA-N	416.525	5.103	30	20	HKED	
N#CCCCCSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F	195537050	ZBKDRTGWBHUBDR-UHFFFAOYSA-N	405.857	5.103	30	20	HKED	
Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1SC[C@H](C)C#N	303283836	KUJCSEOIGVBWKZ-MRXNPFEDSA-N	422.579	5.163	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(Cl)c1	426149430	ARRIZXVFIQVUOA-UHFFFAOYSA-N	415.280	5.418	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1-c1ccccc1	429119411	YSQWJRKYWJIJQB-KRWDZBQOSA-N	400.507	5.306	30	20	HKED	
C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1	429173396	NHARFXBFNNUXRD-QVKFZJNVSA-N	419.916	5.807	30	20	HKED	
C=CCN(C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nc2c(s1)CCCC2	429944125	HPNJJPOJYMAKSL-UHFFFAOYSA-N	407.514	5.419	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)nn1-c1ccccc1	435745762	QEAVIGGNZUOHFR-GOSISDBHSA-N	413.506	5.004	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](COCc2ccccc2)C1	438048089	IMVNBZNUUABGCZ-AZUAARDMSA-N	409.555	5.151	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	439108138	BVUUKRQQGITOTF-UHFFFAOYSA-N	423.881	5.508	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc4ccccc4c3)o2)c(OC(F)F)c1	439530188	OVUXDMNTQSKZQL-UHFFFAOYSA-N	409.417	5.655	30	20	HKED	
Cc1c(C(=O)N[C@H](CCC#N)c2ccccc2)sc2nc(C(F)(F)F)ccc12	439657979	IXAQTFMWBFOKSK-OAHLLOKOSA-N	403.429	5.398	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cnn1-c1cccc(C#N)c1	440075436	IWDBBFHVOMLHDM-SJORKVTESA-N	404.436	5.004	30	20	HKED	
O=C(NCCCC(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	441006435	BSUSNUOZRQHZOR-NSHDSACASA-N	410.280	5.341	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2cscn2)c1)c1nc(-c2ccc(Cl)cc2)cs1	442677516	CEEUYVPKEYCRAQ-QGZVFWFLSA-N	421.934	6.077	30	20	HKED	
C=CCN(C(=O)c1cncc(C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	443863709	RQVPAYWWZKJTOC-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
COc1cccc(F)c1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444909286	YVBXWXUNIAXQEZ-ZDUSSCGKSA-N	424.316	5.668	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C2(Cc3ccc(F)cc3)CC2)cc1	445621639	SCUFJKAJZMLWPQ-UHFFFAOYSA-N	414.480	5.432	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2)cc1	460681957	UBFFBVZTGRSQSW-UHFFFAOYSA-N	403.507	5.398	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCc1nc2ccc(Br)cc2o1	460868694	LEXVMHFPTUKLAH-UHFFFAOYSA-N	414.206	5.168	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C	461687396	WJSOLFAOTDRSLA-UHFFFAOYSA-N	421.932	5.017	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3SCCc4sccc43)c2)c1	463387655	BFRWUVNISQKSFX-OAQYLSRUSA-N	406.532	5.168	30	20	HKED	
C=CCn1c(SCc2ccn(-c3ccc(Cl)cc3)n2)nnc1-c1ccoc1C	464573876	XNFJSFMXSAGUTC-UHFFFAOYSA-N	411.918	5.164	30	20	HKED	
C=CCn1c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1	464901528	GVZKDYYGTWYBDZ-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	467155594	QTKBFGTYOUPKAB-MRXNPFEDSA-N	417.513	5.493	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3c(F)cccc3NC3CC3)c2)cc1	469088084	UGIWZFJULDVRJW-UHFFFAOYSA-N	401.441	5.103	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC=C(c3c(F)cccc3F)CC2)c2ccccc21	469790763	NCIBWWAGAMNCNN-UHFFFAOYSA-N	405.448	5.153	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	471161332	QPUXJCCFYDHVSC-UHFFFAOYSA-N	408.329	5.512	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(O)nc(C3CC3)c2)cc1Cl	473710051	METIZESKWVFHGX-LJQANCHMSA-N	403.869	5.226	30	20	HKED	
N#CCCN(CCC#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	475120181	NYXJXOVIUGYMHF-UHFFFAOYSA-N	422.699	5.709	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	476540876	HPCLRLYPVYOEEY-UHFFFAOYSA-N	416.924	5.337	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1	480546561	AQBVQNAYVDRUFE-MRXNPFEDSA-N	413.974	6.003	30	20	HKED	
COc1ccc(CSc2nnc(SCc3ccc(F)cc3C#N)s2)cc1	483063497	VQWSGXFECDPELU-UHFFFAOYSA-N	403.529	5.142	30	20	HKED	
N#C[C@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1nccc2ccccc12	483227869	LZAXWGHEINBPLB-KRWDZBQOSA-N	421.378	5.214	30	20	HKED	
Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2sc3ccc(C#N)cc3c2C)c(C)c1	486624530	GWEXIOJOBBZWIN-NRFANRHFSA-N	414.534	5.066	30	20	HKED	
CC(C)c1cccc(O[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1	487835381	LJTDNAFLPIFRPH-INIZCTEOSA-N	404.432	5.040	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(-c3ccoc3)n2)cc1	494705443	ZJJLQUYIUKXVLD-UHFFFAOYSA-N	420.515	5.057	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(CC(C)C)c1ccc(C#N)cc1	499315546	FZCUPYLUACFFRL-UHFFFAOYSA-N	407.495	5.076	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)n1	501152393	DPNHPPGKNOIFNK-UHFFFAOYSA-N	415.478	5.107	30	20	HKED	
Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)no1	501793465	HWQZAYWIIZUQCN-HXUWFJFHSA-N	418.522	5.158	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1ccc(C(F)(F)F)cc1	502006075	BXCXVSVQWDZIEX-OAQYLSRUSA-N	413.443	5.388	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCc4ccccc4C3)c2)cc1	503031982	MXEHPZWUXOCUKF-XMMPIXPASA-N	411.505	5.011	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	503217256	MYOVAAZHPOBXPC-VQIMIIECSA-N	411.527	5.283	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1	505709799	WOBGIWIOMWHDFR-UHFFFAOYSA-N	409.445	5.607	30	20	HKED	
Cc1nc(CCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)oc1-c1ccccc1	505824999	HMCLZVWWFXDHLR-NRFANRHFSA-N	401.510	5.261	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)cc1Cl	506479482	XUERXCKXBDTMDB-RLFYNMQTSA-N	406.835	5.913	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCCO[C@@H]1CCCc2ccccc21	506838888	MUVZVMKCKFBCRQ-XMSQKQJNSA-N	423.582	5.544	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC1(c2cccc(C#N)c2)CC1	512264888	NSWHPZLWSZKYIQ-UHFFFAOYSA-N	417.512	5.430	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3sc4c(c3C#N)CCC4)cc12	515321843	DIDYBKKHXBTZRH-UHFFFAOYSA-N	404.520	5.070	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nc2ccccc2o1	516264084	CGHIHSDLMRMJMH-GFCCVEGCSA-N	413.285	6.353	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1nc2c(s1)CCCC2	518169666	KSVVGTDOMSMPQW-HUUCEWRRSA-N	406.473	5.363	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1	518240129	SWQQADYUKRITCT-OAHLLOKOSA-N	410.470	5.644	30	20	HKED	
CCCCN(Cc1ccccc1Cl)C(=O)Nc1ccccc1S[C@H](C)CC#N	518259980	RHKFTYGYDGCBJH-QGZVFWFLSA-N	415.990	6.568	30	20	HKED	
CC(C)(CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	520015255	FBVJGVHIYDEHKP-UHFFFAOYSA-N	408.552	5.008	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1	521428219	ZCUPYBKDGWSCPK-CJFMBICVSA-N	419.569	6.096	30	20	HKED	
CCNC(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	522570980	SEQSHSVRNVXKTK-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
CC(C)Oc1c(Cl)cccc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	522837746	HCFKVJSGNCEGCL-AWEZNQCLSA-N	403.935	6.023	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	522907471	GJAXZFFDUQZFOX-VGSWGCGISA-N	413.949	5.155	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)s1	524144536	RWWXGVGLBHLLTO-UHFFFAOYSA-N	415.927	5.402	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c1	524386050	HKZKBPYUOKJLOX-UHFFFAOYSA-N	414.358	5.547	30	20	HKED	
Cc1nc(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)sc1SCC#N	525655911	ZGSRMCFMMFUASW-LJQANCHMSA-N	407.564	5.422	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C	532979814	BCTUARXOHYDJHW-LMMKCTJWSA-N	411.546	5.036	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)Cc1ccccc1F	533777507	MXCFWCZLDCJOJM-UHFFFAOYSA-N	423.557	5.772	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1Cl	534152159	CTTQERASXQIVRP-SFHVURJKSA-N	410.901	5.226	30	20	HKED	
CC(C)Cn1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C(F)F)n1	535664270	SFPBIMGPUXBZDJ-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1	539754697	AHYAZHUFHMELRC-QHCPKHFHSA-N	424.460	5.331	30	20	HKED	
CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	540672305	IVZWVFUYYNUMSN-UXHICEINSA-N	401.432	5.055	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1	541066175	ZWDCYFJZQWDHBJ-GOSISDBHSA-N	424.504	5.235	30	20	HKED	
Cc1ccc(C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cn1	542111570	LMUBXBZEZHALEB-UHFFFAOYSA-N	412.493	5.466	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(C(F)F)c2Cl)CC1	544631807	DMMMKISNUFUVHZ-UHFFFAOYSA-N	419.859	5.661	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2c(C)[nH]c3ccccc23)CC1	549291008	IXRIHSXWRVWXQQ-GAJHUEQPSA-N	419.573	5.125	30	20	HKED	
O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	552211740	BRZKXBXJHGALFA-QWHCGFSZSA-N	411.361	5.471	30	20	HKED	
CC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C	556221877	GBYPFKXNQFHSEL-UHFFFAOYSA-N	415.468	5.443	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C2CCOCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	557487025	PLPZLCLTKHHTKE-LJQANCHMSA-N	417.553	5.134	30	20	HKED	
COC(=O)C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc2ccccc12	558279329	YOMAZXLCIWWNPG-JOCHJYFZSA-N	415.493	5.067	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C1CC1)C1(C#N)CCC1	560115188	PGNFZOGEVDEDDY-CQSZACIVSA-N	415.946	5.054	30	20	HKED	
N#C[C@H](C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)c1nc2ccccc2o1	561973319	RIBLMSVXBOOOEB-QGZVFWFLSA-N	412.836	5.310	30	20	HKED	
CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)c1cc2ccccc2o1	565967404	KYQBTGMLMFBPLI-OAHLLOKOSA-N	407.539	5.266	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(-c2ncon2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	578356294	HNRRAJRPELXBGA-MRXNPFEDSA-N	409.449	5.158	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(C)nc3C3CCCCC3)n2)cc1	588737753	JYHJGFWMWTZEKS-GOSISDBHSA-N	404.539	5.390	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1cc(C(C)C)ccc1C	603601365	VQWWSXAFLBSQJC-UHFFFAOYSA-N	415.493	5.503	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603829432	XVWHVIMPZBIYQW-HNNXBMFYSA-N	406.873	5.624	30	20	HKED	
COCCOc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	604176273	NVZGGJWWRPVOIL-UHFFFAOYSA-N	418.518	5.128	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)cn2)cc1	609164660	ZDIIULIGGJFLOA-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c1Cl	609429228	LXGRWCXHLOQAGQ-GFCCVEGCSA-N	415.367	5.497	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)cs1	609497318	CWNUZXONHLHSLV-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(OCc2ccccc2)cc1	609793068	KGNDRXGRYJYJKF-OAQYLSRUSA-N	400.409	5.146	30	20	HKED	
COC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl	609817842	PGYAPDNMAJUXGS-UHFFFAOYSA-N	406.825	5.043	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2ccccc2C#N)c1	609909415	HGMYEODJLQLZDJ-FDDCHVKYSA-N	414.480	5.295	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCc3ccc(C#N)cc3F)s2)cc1	610100823	JSIVMHJKYWPPIX-MRXNPFEDSA-N	422.529	5.340	30	20	HKED	
COc1ccc(NC(=O)[C@H](Sc2ccccc2C#N)c2ccccc2)cc1Cl	610207690	TZHCQBCPBKFGIT-OAQYLSRUSA-N	408.910	5.692	30	20	HKED	
CN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccc(Cl)cc1)C(F)(F)F	610724051	USYAXRKWXRSFBE-GOSISDBHSA-N	405.807	5.194	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cc(C(=O)OC)c(F)cc1Br)c1ccccc1	614494373	JEDCCRCKLMJTGU-AWEZNQCLSA-N	420.278	5.063	30	20	HKED	
O=C(Nc1ccc(F)cc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642397249	QOODFWWDQNIUKR-MBTKJCJQSA-N	406.729	5.510	30	20	HKED	
CCC[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	675204036	ZBGFRERVFCMOKF-MBNYWOFBSA-N	418.328	5.188	30	20	HKED	
C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nc(C(F)(F)F)cs1	681049898	OLIJUSSCDUUIHA-XLPZGREQSA-N	414.337	5.722	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3C)n2)cc1	727628697	WPFJYGGCHXZRPA-FQEVSTJZSA-N	417.534	5.422	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cc(OC)c1OC	728441746	PFUGPWGBVQPFFG-MDZDMXLPSA-N	413.470	5.180	30	20	HKED	
CC[C@H](Oc1ccccc1C(C)C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	730070847	BVDNIGDNJOIPKS-APWZRJJASA-N	411.452	5.589	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2F)s1)c1ccc(N2CCC(O)CC2)cc1	730085741	UONWTUAYNOUSSR-PKNBQFBNSA-N	407.510	5.411	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)cc1	730948597	IPRUCCUUNVWXIH-ZZXKWVIFSA-N	423.273	5.821	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1	731332065	CGAXIXDPZWRUBP-SEWDUPMJSA-N	404.457	6.142	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1	733031052	HVKQTSFEFZFOPX-JOCHJYFZSA-N	419.431	5.998	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1cccs1)c1ccc(F)cc1)c1nc2ccccc2s1	733309196	DZOZWJIQFSFWFM-SFHVURJKSA-N	421.522	5.380	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)c1	733842211	SMALFLDSKNYXDW-FQEVSTJZSA-N	401.466	5.482	30	20	HKED	
CCCn1c2ccccc2c2nnc(SCc3cc(Cl)ccc3OCC#N)nc21	735230780	QMUNIXSCCLAJNE-UHFFFAOYSA-N	423.929	5.238	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Cl)c1	737325684	FSWJMQPJYQKFHN-CQSZACIVSA-N	416.880	5.896	30	20	HKED	
O=C(/C=C/c1cnc2ccc(Cl)cn12)c1c[nH]c2cc(Br)ccc12	737445391	YYRPLXPNNNUXCK-HWKANZROSA-N	400.663	5.128	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)ccc1OC	737552964	FYWZTSDGFPFSMK-GCJKJVERSA-N	408.542	5.310	30	20	HKED	
Cc1cc(F)cc2c(N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)c(C#N)cnc12	742407042	YZWARYNLSKIDSJ-QHCPKHFHSA-N	409.892	5.157	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(Oc3ccc(C)cn3)cc2)cc1	743476816	MEGJGCBEBUJBJS-FQEVSTJZSA-N	414.509	5.238	30	20	HKED	
COc1ccc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c(C)c2c1	744063404	MZLSNXJZLYXEAR-MRXNPFEDSA-N	405.504	5.227	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cs1	749451669	HPFQJKYQOFPAKF-UITAMQMPSA-N	423.444	5.483	30	20	HKED	
COc1cccc(NC(=O)/C(=C\c2coc(-c3ccccc3)n2)C(=O)c2ccccc2)c1	749885876	GPVUEEOPHZFTRC-KQWNVCNZSA-N	424.456	5.255	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)ccc21	754690727	YOWJYVRZAKLHKX-FLIBITNWSA-N	418.474	5.128	30	20	HKED	
CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F	758448603	MDSXVQPAUKOJRC-HNNXBMFYSA-N	418.271	5.797	30	20	HKED	
N#CCOc1ccc(Cc2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cc1	761730376	XGCMTRSPBXHXIE-UHFFFAOYSA-N	418.840	5.070	30	20	HKED	
C#CCCCCc1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1	762352720	MZFOXRJVYWZABY-UHFFFAOYSA-N	412.287	5.341	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(C)Cc2cc(Cl)cc(Cl)c2)c1=S	764900072	SJCSFIHLLVWLHG-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
COc1ccc(-c2nc(S[C@H](C)CCSc3ccccc3)nc(O)c2C#N)cc1	769847982	ZZJQZATUQXBSOD-OAHLLOKOSA-N	423.563	5.392	30	20	HKED	
CCCCOc1ccc(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c(Cl)c1	769946694	ZJQHDHALCRTLRH-QGZVFWFLSA-N	400.906	5.130	30	20	HKED	
N#C[C@H](COC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)Cc1cccs1	772732521	HRRIJQVHWTZCSS-LLVKDONJSA-N	423.346	5.718	30	20	HKED	
O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1cccc(F)c1F	776267832	FWMVWCQNPNECPK-SNAWJCMRSA-N	418.031	5.092	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	780306318	UYVOVRKVEIEIJU-JOCHJYFZSA-N	405.457	5.171	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1(C)C	781447050	BRFAVCUMZBHCKR-WQVCFCJDSA-N	400.931	5.281	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([N+](=O)[O-])cc1Cl	782187344	AEIVAEKSJMSQFY-DAXSKMNVSA-N	415.814	5.176	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)c1csc(-c2ccc(Br)s2)n1	784630866	YRYLEFJJXZDWTD-MRXNPFEDSA-N	416.362	5.020	30	20	HKED	
N#CCc1ccc(COC(=O)c2ccsc2NC(=O)c2ccccc2Cl)cc1	785313688	IHWSPJBHFZCCKJ-UHFFFAOYSA-N	410.882	5.077	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)cc1	789634695	COMJINABZJJONG-IFXJQAMLSA-N	423.362	5.004	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1cnc2ccccc2n1	792101723	CBSRSQNYXIZFQY-NTKDMRAZSA-N	413.477	5.479	30	20	HKED	
C=CCOc1ccccc1/C=C1\SC(=S)N(CCCCC(F)(F)F)C1=O	794861348	HBWXCGNLMIHATO-QINSGFPZSA-N	401.475	5.185	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(C)c(Br)s2)ccc1OC	796305127	NIZACKIRCLHHJE-UKRRQHHQSA-N	423.376	5.359	30	20	HKED	
Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	800146990	FNQIPESDKVSRHZ-UHFFFAOYSA-N	405.385	5.153	30	20	HKED	
Cc1ccc(-n2c(Sc3nc(Cl)c(C#N)s3)nnc2-c2ccccn2)c(C)c1	804360687	NISJXGUPDHHNQA-UHFFFAOYSA-N	424.942	5.079	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	806224352	FMRJDFIBPMNMCQ-UHFFFAOYSA-N	423.944	5.070	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2c(Cl)cccc2Cl)no1	904309029	WTOCNEUQKGOSSZ-ZDUSSCGKSA-N	411.289	5.303	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Br)s1)c1nc2ccccc2s1	915099357	RVLVAGJQTBCTFX-GFCCVEGCSA-N	405.342	5.319	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-n2cccc2)cc1	916904852	JQCVFTNZOOMIJO-QFIPXVFZSA-N	421.456	5.231	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	917430369	JBDXARUMXXSCEW-GOSISDBHSA-N	424.447	6.277	30	20	HKED	
COc1ccc2cc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)ccc2c1	917644244	AXAJXDLHIXKZIJ-RGVLZGJSSA-N	402.500	5.126	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)sc2c1CCCCCC2	917783227	QNQYIYQTPWDWPL-UHFFFAOYSA-N	414.621	6.010	30	20	HKED	
CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccccc34)CCC2)cc1	1785934891	IWHXXRRYJYNGOW-UHFFFAOYSA-N	411.505	5.137	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3CC)CCC2)cc1	1786103516	ZIMKGLOUWSBFKP-UHFFFAOYSA-N	423.582	5.222	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1823752382	RNABSYFTYBNNCO-GOTSBHOMSA-N	414.634	5.345	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(F)c2)nnc1-c1ccc(Cl)cc1	7773400	VSLUUQFFCCDEQW-CYBMUJFWSA-N	416.909	5.043	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	11706488	OGFUVSJGZHKBMP-INIZCTEOSA-N	413.502	5.165	30	20	HKED	
C=CCOc1ccc(C(=O)N(CCC)CC(=O)Nc2cc(Cl)ccc2Cl)cc1	29881205	GGMRNQCAZVUJKK-UHFFFAOYSA-N	421.324	5.049	30	20	HKED	
N#C[C@H](C(=O)c1cnn(Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	41514695	LWNRPPXELYBGEI-LJQANCHMSA-N	418.909	5.198	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	41538064	XTWHLDQNDYTFCU-CYBMUJFWSA-N	404.278	5.011	30	20	HKED	
O/C(=N\c1nnc(SCc2cccs2)s1)c1cc(-c2cccc(F)c2)no1	50004765	NBSKVQXXDMGFAM-UHFFFAOYSA-N	418.500	5.322	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C(C)(C)C)nc3C)n2)cc1	61069798	RDTHJLXNDDLMHI-HNNXBMFYSA-N	411.552	5.371	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(-c2c(F)cccc2Cl)noc1C	62904145	ZEHTYVSYKTUURN-UHFFFAOYSA-N	409.848	5.143	30	20	HKED	
Cc1cc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)n(CCC#N)n1	109345787	ADOPJHBWOGNNOT-JOCHJYFZSA-N	424.957	5.220	30	20	HKED	
N#Cc1cc2c(nc1SCc1nc(-c3cccc(C(F)(F)F)c3)no1)CCCC2	302944619	KWBJAUZBPHYAME-UHFFFAOYSA-N	416.428	5.193	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1	303293986	BHQYYACEZHRBSH-MSOLQXFVSA-N	421.566	5.706	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1	303507224	SINPPJGBNXKXKG-UHFFFAOYSA-N	418.305	5.200	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)s1	430592729	CSPYMNXRBQRQCU-NSHDSACASA-N	403.479	5.332	30	20	HKED	
Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1	431887161	KHYJJAFDXANBAR-UGKGYDQZSA-N	424.976	5.209	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1	435101824	RIKWZUCOESZNLD-DLBZAZTESA-N	423.504	5.758	30	20	HKED	
COc1cc(CSCc2nccn2C(F)F)ccc1OCc1cccc(C#N)c1	435401263	KPYGDQKHBCWGET-UHFFFAOYSA-N	415.465	5.171	30	20	HKED	
CC(C)n1ncc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cnc21	437471274	VYWXXUKBFOIALP-UHFFFAOYSA-N	415.428	5.068	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C	437475945	CZRIPIRKCASKOC-ORAYPTAESA-N	423.340	5.483	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(N2CCCCCC2)c1	438269417	IIMFXHOXEBLHNY-DNQXCXABSA-N	402.542	5.371	30	20	HKED	
Cc1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCc3ccccc32)cc1	438760888	MMHQUVKNQUOGAF-VWLOTQADSA-N	420.516	5.606	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](c2nccn2C)C1)c1ccc(C(F)(F)F)cc1	444148194	XZOAFIDBNLXWHE-PKOBYXMFSA-N	420.479	5.035	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(F)c1F	461111332	KYWIIJVCSOYNQK-UHFFFAOYSA-N	424.378	5.009	30	20	HKED	
CCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)c1ccc(C#N)cc1	461534666	PWOBNXCHJKSDSS-UHFFFAOYSA-N	404.470	5.073	30	20	HKED	
Cn1c(C(=O)Nc2cccc(OCCCC#N)c2)cc2cc(C(F)(F)F)ccc21	463296821	WVYYVKUJPSRUDK-UHFFFAOYSA-N	401.388	5.132	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1	463583489	QIKQMTWJAVKLDV-UHFFFAOYSA-N	424.884	5.140	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1C(F)(F)F	464944933	ZBOOIMOJHOJGRC-BSIFCXSSSA-N	400.444	5.497	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1COc1ccccc1Cl	466033775	LEKPIPFQWNSAKP-UHFFFAOYSA-N	419.912	5.132	30	20	HKED	
CCc1cnc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	466333499	AYQHPZARUMGLHB-GOSISDBHSA-N	410.930	5.336	30	20	HKED	
COc1ccc(-c2cnc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)o2)cc1	467271665	QTEITPZEIDYEKE-UHFFFAOYSA-N	415.424	5.765	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1-n1cccn1	470098435	SLNZWOXURFDZIS-SFHVURJKSA-N	424.529	5.386	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	474428851	TUECOGOERDXMBQ-CQSZACIVSA-N	401.944	5.842	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	474897317	COEKKXZHACXRCW-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1Cn1c(C)nc2ccccc21	475543265	BZIGXIRBYHSSIL-NRFANRHFSA-N	416.569	5.893	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1	475546019	KMZYMFMWZIWYJK-UHFFFAOYSA-N	400.526	5.736	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12	476167922	XMLLACQTPKSWDR-UHFFFAOYSA-N	403.526	5.157	30	20	HKED	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	480308738	TWSFCRJRAORWAX-HSZRJFAPSA-N	421.541	5.145	30	20	HKED	
CC(C)(C#N)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	480340359	WUTIHLZAXIVUNJ-UHFFFAOYSA-N	408.767	5.397	30	20	HKED	
O=C(NCc1ccc(C(F)F)cc1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	482376269	MDHVWJXMHRMHFP-AWEZNQCLSA-N	424.316	5.328	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	486237651	YLKZIZCGZNUPJI-UHFFFAOYSA-N	422.937	6.123	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@H](CCCC#N)c1ccccc1	487218319	KJXDZTAWLSDOMO-OXJNMPFZSA-N	423.969	5.920	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc4c[nH]nc4c3)cc2Cl)cc1	487567290	OJRTWWNWFDNAEI-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	488544186	NCSXXSJLQJIMNO-FQEVSTJZSA-N	417.509	5.277	30	20	HKED	
O=S(=O)(Cc1ccc(C(F)F)cc1)Cc1cc(F)c(C(F)(F)F)cc1F	488862258	OGIPPOACWCFNOL-UHFFFAOYSA-N	400.315	5.036	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1	489462338	XMACCIKAGIOKFS-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	490720162	GNWUJNSSMXEJGZ-OAHLLOKOSA-N	411.508	5.443	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2C)C2CC2)cc1	490735068	PUWKBTJHXJLYCQ-HSZRJFAPSA-N	403.526	5.082	30	20	HKED	
CCCCC[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494238350	QJZJOOTUWAQUBJ-JOCHJYFZSA-N	405.542	5.908	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1	494751755	NQLBTLOZSUDCHQ-OAHLLOKOSA-N	424.957	5.737	30	20	HKED	
N#CC1(CCCNC2(c3noc(C4CCCCC4)n3)CCCCCC2)CCOCC1	499624415	HUIXOJAMALCTMK-UHFFFAOYSA-N	414.594	5.357	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1	502490007	CSZOEQNVPSLJGK-UHFFFAOYSA-N	407.499	5.125	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1	502647445	KZNWVSMAGUOVMQ-UHFFFAOYSA-N	417.469	5.134	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	502649189	HYSIJMUWBDGFMD-UHFFFAOYSA-N	403.438	5.020	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](COc4ccccc4)C3)cc2)cc1	504156004	HOVRVMQIXFRBNR-NRFANRHFSA-N	412.489	5.086	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3-c3ccc(F)cc3)n2)cc1	504561811	VMAFHVLLRBDBIM-IBGZPJMESA-N	418.449	5.708	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1	505016344	GCRQJURTMICZBD-FQEVSTJZSA-N	401.514	5.002	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)c3ccccc3C#N)cc12	508100043	ZTUCOLILRIUMRH-UHFFFAOYSA-N	420.925	5.256	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(C#N)cc1	509224390	DWQWNAIXOYTHOL-CQSZACIVSA-N	418.310	5.141	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)NCCCCC#N	510584038	YRCLDMRPGHYIEA-VQIMIIECSA-N	420.944	5.733	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1	510921802	ZDAFZJFQGCLRKE-UHFFFAOYSA-N	400.482	5.068	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1	511026716	IFLDWRRGMMOQKM-UHFFFAOYSA-N	423.944	5.351	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nc(C)cs2)cc1	513977661	WOABQAFQPBKPJN-UHFFFAOYSA-N	408.483	5.247	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1NC(=O)c1ccco1	514471872	KDYXCKDYJOJLRH-CYBMUJFWSA-N	419.506	5.151	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1c(F)cccc1F	517450972	STNIDSFXOPYMHN-ZIAGYGMSSA-N	406.523	5.649	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(OC(F)F)c1	517537142	FSZRIAQQXVHWCE-QGZVFWFLSA-N	408.448	5.589	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2)cc1	517655529	HOEMYXAMBSMHNG-SANMLTNESA-N	419.484	5.459	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1	518754496	OVNKXBUSOPLDFC-RXVVDRJESA-N	408.571	5.039	30	20	HKED	
Cc1c(Cl)cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl	519179526	QRQBDYMZLYMLSP-UHFFFAOYSA-N	404.297	5.249	30	20	HKED	
CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1)c1ccccc1F	519908398	WZFJCYMKWOMVBC-UHFFFAOYSA-N	422.529	5.249	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c1C	520173596	RIQWIQGTDKOGPQ-GOSISDBHSA-N	417.475	5.262	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	521733285	DIWTZILVHZIPSJ-UHFFFAOYSA-N	421.444	5.312	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2	521811330	CTVZUKXYZWVWTA-QAPCUYQASA-N	409.511	5.179	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@H](c3ccc(C)cc3)C2)cnn1-c1cccc(C#N)c1	527381633	QNGRHZUTOWIGQX-NRFANRHFSA-N	413.525	5.026	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C	530560170	LOJUTLDBGQHSNC-UHFFFAOYSA-N	403.522	6.367	30	20	HKED	
CC(C)(C)C1=CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1	534039232	GZJNNCSAVYMIGF-UHFFFAOYSA-N	402.498	5.021	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c(C#N)s1	536972895	WOZMMVPITYRLJR-UHFFFAOYSA-N	419.506	5.061	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C	538787818	SSYGBONKRKLCSU-BRWVUGGUSA-N	411.546	5.166	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cccc(Cl)c1Cl	539313526	BUTPDPVVATUFNZ-ZIAGYGMSSA-N	422.381	5.534	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	541108214	VAVPSEDKCFIKNN-UHFFFAOYSA-N	411.918	5.072	30	20	HKED	
C[C@H](NC(=O)c1cnc(-c2cccnc2)s1)c1ccc(-c2cccc(C#N)c2)cc1	541998671	WSQUORUCVVXVSC-INIZCTEOSA-N	410.502	5.235	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)Nc3nc(C)c(SCC#N)s3)cc2c1	543860500	VAJKTUFIQQSJOQ-UHFFFAOYSA-N	422.329	5.137	30	20	HKED	
CCO[C@H](c1ccc(C)cc1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1	545116810	DIIOTVKACDSCCH-XIQMRYHBSA-N	412.493	5.543	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1	549293985	GLWJECRQFDDWHA-IFXJQAMLSA-N	402.416	5.029	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(s3)CCCCC4)n2)cc1	552042462	HZGCVWUPSLDCFU-QGZVFWFLSA-N	403.532	5.502	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NCc3cc4ccccc4s3)s2)cc1	555417590	BVGARGWCUOQTEH-UHFFFAOYSA-N	404.520	5.142	30	20	HKED	
C[C@@H](CN(C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccccc1	557505943	LCJPRDBRDQVYCF-SFHVURJKSA-N	409.961	5.080	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)c1	558625565	FGMXZOZTUPKSRH-GOSISDBHSA-N	408.571	5.370	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1OCCc2sccc21	561838387	WXWHCRBLRHZZID-QRQCRPRQSA-N	420.559	5.203	30	20	HKED	
C=C(C)COc1cccc(N[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1	589633356	PXEMYFAXPYFOGQ-RUZDIDTESA-N	416.521	5.750	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)c2ccccc21	590925722	BVLWSDMOMTUQTL-FQEVSTJZSA-N	410.521	5.099	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cc3cccc(F)c3)cn2)c1	603829200	NAQVGVVJZPCWBL-OAQYLSRUSA-N	416.456	5.124	30	20	HKED	
CCc1cc(C#N)c(NC(=O)COc2ccc3cc(Br)ccc3c2)s1	604029396	ZPBWTIBTCYZYDA-UHFFFAOYSA-N	415.312	5.115	30	20	HKED	
CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609147619	VALNPSVGJCVZLK-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1c(Cl)cccc1Cl	609185599	CTJVXBGSQBKGGM-CQSZACIVSA-N	403.309	5.039	30	20	HKED	
CCn1c([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc21	609502702	CWNCSPHLOCXHAQ-SFHVURJKSA-N	424.504	5.406	30	20	HKED	
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cn1	609644441	ZDTDXFOSWUOKGZ-UHFFFAOYSA-N	402.504	5.032	30	20	HKED	
Cc1ccc([C@@H]2COCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)o1	609729397	WTGTZXCISOMJIF-FQEVSTJZSA-N	422.868	5.119	30	20	HKED	
CC(C)n1cc2cc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)ccc2n1	609880556	LUFRSJRSRAPSJM-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609919445	ROMRJTOPAJVRFM-HNAYVOBHSA-N	420.513	5.155	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	609969011	CXOFZWVYNMYMGA-HNNXBMFYSA-N	406.404	5.007	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	611261034	UEZFLOPTXRUHEJ-OAQYLSRUSA-N	418.928	5.490	30	20	HKED	
N#Cc1cccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c1	612548685	AKLUFDAEXCRSSF-HNNXBMFYSA-N	412.209	5.136	30	20	HKED	
O=C(Nc1cccc(OCCF)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675374032	GHKKFGGRFZPTAE-PJXYFTJBSA-N	416.337	5.066	30	20	HKED	
CC1(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CCC(F)(F)CC1	680267805	KVOMRGSKCDQTSN-NXEZZACHSA-N	410.349	5.163	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2ccco2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S	726962175	SDHSVAXWVIFDOM-BCYZHJNNSA-N	413.591	5.110	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1	727397205	ICXRXLKUFHRGGD-UHFFFAOYSA-N	418.909	5.751	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc(O[C@@H](C)C#N)cc1	728698048	LAGUQTMTSQMXFS-CLUXPMKYSA-N	408.910	5.959	30	20	HKED	
CCOc1cccc(/C=N\Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1O	728785759	PPSPYPVAGKANHQ-QRQIAZFYSA-N	411.505	5.322	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc2cc(F)ccc2s1	730422489	SGPUCFUEGSLDRW-CCRVJLMDSA-N	424.806	5.997	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl	731136480	QWKFSENSRHHCEZ-WMLDXEAASA-N	401.293	5.151	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c(F)c2)cc1	731332812	RVDDKYLTCXCPCD-MRXNPFEDSA-N	420.509	6.148	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCSc1nc2ccccc2s1	731349350	KQQGARBINMQBKZ-CQSZACIVSA-N	413.593	5.811	30	20	HKED	
C=CC[C@@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccncc1	734460903	SMVCWBVSTPHQLF-HSZRJFAPSA-N	406.913	5.290	30	20	HKED	
Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1NC(=O)OC(C)(C)C	742524283	JUZRUKSGYJZMJE-UHFFFAOYSA-N	405.498	5.019	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ccc(Br)s2)cc1OC	742575167	BPQSRNHAHGRQMG-UHFFFAOYSA-N	404.713	5.122	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ccc2c(c1)CCC(=O)N2	743445543	ZXXLWYNLTPYCQP-UHFFFAOYSA-N	404.417	5.036	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1	744027928	DZLIZEWQWQQOOS-OXQOHEQNSA-N	402.425	5.069	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	750150082	ODFGPJJRAKURPI-UHFFFAOYSA-N	416.481	5.022	30	20	HKED	
CSCc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)oc2ccccc12	752376611	SULOGTNXRZYKPW-UHFFFAOYSA-N	405.504	5.543	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(F)cc(Cl)c1	757304239	JJQZWNVELFJJGB-GOSISDBHSA-N	408.816	5.233	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	757875409	OPVADEBLNOUGRS-SFHVURJKSA-N	405.882	5.095	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(Cc4ccccc4)CCC3)n2)cc1	757882780	XFQIFDWMFYNNJL-HXUWFJFHSA-N	402.519	5.408	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1	758430319	PRHLHYCKCARTRP-SDNWHVSQSA-N	415.493	5.023	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCn2ccc3cc(Cl)ccc32)c1	760386211	HIIYJWNOBKJMJD-FQEVSTJZSA-N	409.917	5.072	30	20	HKED	
C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	762972050	FONJTIURLZUPSC-IAQYHMDHSA-N	421.469	5.177	30	20	HKED	
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	766037114	JDCXPJAJBLOBOR-MWTRTKDXSA-N	419.456	5.123	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cccc([C@@H]4CCCOC4)c3)c2)s1	766445014	LHDCTOJOHYQOFM-OAQYLSRUSA-N	402.519	5.111	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN(CCC#N)Cc1cccnc1	768140111	KPXHXIGCNAXBRM-UHFFFAOYSA-N	407.949	5.019	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(C(C)(C)O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	773507925	FSQCUEOUMGTAKX-SFHVURJKSA-N	413.521	5.013	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)ccc1OC	774446884	DYBDXRUDTWVGPL-UGKGYDQZSA-N	420.475	5.882	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	775489653	WPEKVIFKIIMOIW-QFWMQHCXSA-N	413.521	6.249	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Cl)n1	778607185	STIIPPMPNNSNII-ZDUSSCGKSA-N	422.724	5.964	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2c(-c3ccccc3)oc(C)c2C)ccc1OC	780703203	BCTADQFLSDZZHP-FQEVSTJZSA-N	418.493	5.183	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	783377928	LEPYQIRMWHHNKQ-GOSISDBHSA-N	424.497	5.454	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C/c1cccc(NC(=O)c3ccc(Cl)cc3)c1)C2=O	788356247	LPTIRIACRYTYAP-GRSHGNNSSA-N	413.864	5.071	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	789457809	WZVYADNBDYHYDK-IBGZPJMESA-N	415.578	5.450	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)/C=C\c1ccc(I)o1	789721201	ZNIMFQBIXNFZIX-BENRWUELSA-N	421.278	5.388	30	20	HKED	
COc1cccc(Cl)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	790766796	GUIGHAIBTKOHOG-HNNXBMFYSA-N	417.317	5.544	30	20	HKED	
N#C[C@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	802046047	YSUXUSPJOSPBEC-DOMZBBRYSA-N	411.305	5.337	30	20	HKED	
Cc1nn(C)c2sc(C(=O)/C=C/c3nc4ccc(Br)cc4s3)cc12	806577475	SDCXJNWFIFJSMX-AATRIKPKSA-N	418.341	5.212	30	20	HKED	
N#CC1(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)CCCC1	806580786	MRGFINFLKGBMAV-UHFFFAOYSA-N	408.596	5.349	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)cc2)ccn1	810285026	ZJGFDYUWOJUOEE-JOCHJYFZSA-N	420.419	5.393	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc4nc(Cl)ccc4c3)cc2)ccn1	811614695	OTAIQVCWKGHJPT-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C[C@@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	915101271	GFDXNKSNVPKVPN-DOMZBBRYSA-N	400.862	5.246	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1	916955370	PUXAAIFDXYBBJA-KUHUBIRLSA-N	421.497	5.424	30	20	HKED	
Cc1cc(C(=O)COC(=O)C(C)(C)C#N)c(C)n1C(c1ccccc1)c1ccccc1	919350450	UFQNUALBTDFSSF-UHFFFAOYSA-N	414.505	5.018	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)ccc1OC(F)F	920480711	NIVGFMHEUGIREQ-WAPJZHGLSA-N	402.315	5.134	30	20	HKED	
N#C[C@@H](C(=O)COc1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	920805920	HDOXBTZKNGPJND-INIZCTEOSA-N	420.440	5.497	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4=CCCC4)cc3)CCC2)c1	1787624499	DZKBDQCLKNTICD-GOSISDBHSA-N	413.521	5.172	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1	1788879988	OIVYIVGLXXTTSN-GOSISDBHSA-N	412.917	5.449	30	20	HKED	
C[C@]12CC[C@H]3[C@@H](C(=O)C=C4C[C@@H](CC(=O)O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1	2048528835	GKSKGUPVMNOPQC-KJEQCEITSA-N	405.538	5.308	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccccc2)cc1	22730223	VHEAHYQTLVULIG-UHFFFAOYSA-O	405.543	5.041	30	20	HKED	
C=CCN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2c(s1)CCCC2	23660059	YXHZCNZKVYXYHH-UHFFFAOYSA-N	412.486	5.166	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1	41516775	WGLONJVUZBBMJZ-CYBMUJFWSA-N	407.442	5.392	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc1	56757969	YAQCPEKAWSTHHF-KRWDZBQOSA-N	411.933	5.379	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1sc(C)c(C)c1C#N	57650162	VIDXTEIEDVMSFQ-UHFFFAOYSA-N	417.943	5.486	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	57785103	QNEOJPMVMHYODH-UHFFFAOYSA-N	405.885	5.455	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1c(F)cccc1Cl	104597866	TURIWOKCOVXSDR-UHFFFAOYSA-N	407.873	5.267	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1	110657541	XQDPBBLYPKRHNA-BAACNHRGSA-N	422.513	6.052	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc2ccccc12	195586683	PQQIQBBCZWZLAS-UHFFFAOYSA-N	409.464	5.397	30	20	HKED	
C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1cc(Cl)ccc1Cl	197880506	RDDPQHCVLBSULZ-NSHDSACASA-N	406.338	5.258	30	20	HKED	
CC[C@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	303387880	XQBVEGCBMUTFGU-QAPCUYQASA-N	401.963	5.414	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1	303404055	RXJJWGBHBNWSNH-CQSZACIVSA-N	419.531	6.060	30	20	HKED	
CC(C)[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccccc2[nH]1	303642068	RETRRVVVNQCEKW-XMMPIXPASA-N	424.504	5.141	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	303887498	ZCGFVAJMRCVUEJ-GOSISDBHSA-N	421.415	5.080	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)c(Cl)c1	322747007	BHGKEIIXUVTYLN-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
CC[C@@H](CC#N)c1cccc(-c2c[nH]c3ncc(-c4cnn(C5CCCC5)c4)cc23)n1	328578847	XRNHJEZWHKVBBL-KRWDZBQOSA-N	410.525	6.011	30	20	HKED	
Cc1cc(C)c(NC(=O)Cc2noc(-c3sc4ccc(C#N)cc4c3C)n2)c(C)c1	426430466	AWBMJCVAZWGAAW-UHFFFAOYSA-N	416.506	5.238	30	20	HKED	
Cc1c(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)sc2ccc(C#N)cc12	428144291	YZWDHIBNZIJKFU-UHFFFAOYSA-N	417.534	5.140	30	20	HKED	
CCCCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1CC	428747089	VZIAMMOTUUQMTK-UHFFFAOYSA-N	416.525	5.257	30	20	HKED	
FC(F)(F)Oc1ccc([C@H](NCc2ncccc2C(F)(F)F)C(F)(F)F)cc1	429340393	IIHZRUSQEYEAGU-ZDUSSCGKSA-N	418.259	5.392	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)c1	431164906	ASCQKHVYAHYCOU-UHFFFAOYSA-N	417.578	5.935	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ncc(Cc2cccc(F)c2)s1)c1ccccc1	431701244	BMRHXRUTLODYHU-FQEVSTJZSA-N	408.502	5.430	30	20	HKED	
N#CCCC[C@@H](c1ccccc1)N1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C1=O	432027987	SKTVAIAZJAZEFK-ZWKOTPCHSA-N	402.281	5.021	30	20	HKED	
COCc1c(Br)cccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	432851830	OZOVKCKUSCJAQS-GOSISDBHSA-N	416.319	5.152	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1cc(C#N)ccc1OC)c(C)n2C1CCCC1	434091695	FJHQCRKGPYSPKR-UHFFFAOYSA-N	403.482	5.206	30	20	HKED	
CCC[C@@]1(C)CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	437891536	UMWRXZZOILUFFB-DEOSSOPVSA-N	404.514	5.245	30	20	HKED	
N#Cc1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)ccc1OC(F)(F)F	441522184	ZKHVNVJMNAQYPA-UHFFFAOYSA-N	415.371	5.073	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC1	441664846	CZEASUXKVLQJHJ-UHFFFAOYSA-N	405.873	5.446	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)s1	443591303	KIIGROMKCBEPPA-NWDGAFQWSA-N	424.389	5.788	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1	443826494	OPVKTLGPKJUTOR-OAHLLOKOSA-N	406.461	5.180	30	20	HKED	
Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OCc3ccccc3)c2)c(C#N)c1C	444718766	PJRJTPRCJPRTOI-QZTJIDSGSA-N	417.509	5.025	30	20	HKED	
Cc1sc(NC(=O)c2c(F)cc(C#N)cc2F)nc1-c1ccc(OC(F)F)cc1	445731922	JMCWYRVXJQJNNB-UHFFFAOYSA-N	421.375	5.122	30	20	HKED	
C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1	460369078	HZGRKOKBMCOTLS-GOSISDBHSA-N	406.578	5.121	30	20	HKED	
C[C@@H](C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cccc(C#N)c1	462029327	SUUVLNUJJNGFQC-KUHUBIRLSA-N	405.498	5.118	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1Cl	462138769	JHIBHVQAPFGUAV-HJPURHCSSA-N	404.897	5.230	30	20	HKED	
N#CCCCc1nc(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)no1	462828788	QICPEECETWOOJT-UHFFFAOYSA-N	403.873	5.013	30	20	HKED	
COCCCCc1cccnc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	463012323	QJPACNKHPNSCSO-UHFFFAOYSA-N	415.493	5.161	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c(Cl)cc(F)cc3Cl)cc2)ccn1	464666032	RDLXWKLFOPWOKG-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)o1	464841431	WZRKWDRQVCTWAT-POAQFYNOSA-N	411.571	5.394	30	20	HKED	
Cc1ccc([C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc2)cc1	469152226	CVQSILWZLCGACT-HHHXNRCGSA-N	409.533	5.780	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	471204527	QOJVOHADJHIWGJ-MGPUTAFESA-N	417.431	5.136	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)n1	474446264	OIFVGZOZRHRAFH-ZDUSSCGKSA-N	422.407	5.100	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1	475747022	BLUDTQCDDJJHAJ-HNAYVOBHSA-N	423.969	6.037	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)COc1ccc(Oc2ccccn2)cc1	476152687	MBERTQJUFCIGFS-UHFFFAOYSA-N	402.494	5.743	30	20	HKED	
C[C@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccc(C#N)cc1	476325839	SHIFTLJOYJUDBR-KSFYIVLOSA-N	417.488	5.085	30	20	HKED	
CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H](C)C1	476794958	OAVJLZTVWHXEOZ-OAOOKAIFSA-N	424.976	5.189	30	20	HKED	
COC(=O)c1csc(-c2cccc(CNc3ccc(C#N)cc3C(F)(F)F)c2)n1	477807706	XRUBDDPVOYTJMA-UHFFFAOYSA-N	417.412	5.099	30	20	HKED	
C=C(C)[C@@H](NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)c1ccc(F)c(F)c1	478917161	JANBVNVVVKGWKL-ZUOKHONESA-N	401.482	5.069	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)c1ccc(Sc2ccccc2C#N)cc1	479544376	PRJFRGSXJXWLKQ-UHFFFAOYSA-N	401.535	5.199	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4cn[nH]c4)CC3)cc2Cl)cc1	480279754	SIGZDHRGXZSDDB-UHFFFAOYSA-N	421.888	5.139	30	20	HKED	
N#CCCCOc1cccc(CNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1	480489197	BIYCLGFLFLEING-UHFFFAOYSA-N	408.851	5.820	30	20	HKED	
Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccccc1Oc1ccccc1C#N	480818156	SCIXVBYGDPHJIF-UHFFFAOYSA-N	411.505	5.507	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CC1CCC1)c1ccccc1	481272827	WZSBDLXVCOMHBV-PGRDOPGGSA-N	407.583	5.398	30	20	HKED	
CCCN(C(=O)c1ccnc(C#N)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	483110330	LHZHOUQUTOJZSR-UHFFFAOYSA-N	417.321	5.440	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)Oc1ccccc1F	483619131	GLNPUDSAHFMUPC-JKSUJKDBSA-N	401.507	5.057	30	20	HKED	
Cc1ccc2ncc(C#N)c(N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2c1	488081911	CBFRJKCZEVPINF-JOCHJYFZSA-N	416.912	5.021	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1	488968482	AQLMVEVGFZJJIU-FUFSCUOVSA-N	403.547	5.683	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1	495092474	IBAAWQSLLIHGSE-RXFWQSSRSA-N	400.497	5.622	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)cc1	501419436	GLZRWJCSNKMJDC-MOPGFXCFSA-N	416.443	5.639	30	20	HKED	
N#C[C@H](C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	505440120	MMKFKKOFVJGICP-AZUAARDMSA-N	422.937	5.848	30	20	HKED	
CCc1c(C(F)(F)F)noc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	505954002	QYPRMCJFLZISPB-UHFFFAOYSA-N	417.412	5.531	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCOC2CCCCC2)cc1	508253784	VBEROENAOPYMEB-UHFFFAOYSA-N	423.513	5.220	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](CC(F)(F)F)C1	508917919	LGHIJFLDQOLFEL-ZIAGYGMSSA-N	414.859	5.036	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1	511593405	LWMPXRMYNQRQAS-UHFFFAOYSA-N	417.896	5.060	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cn(Cc3ccccc3)c3ccccc23)nc2ccccc21	513667037	QLGQROZNPVGIHW-FQEVSTJZSA-N	404.473	5.066	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c12	514535485	LKJZMYYEIWGWKR-UHFFFAOYSA-N	410.477	5.373	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CCC3)cc1	515565361	ONOSNCJAMBGZFT-QGZVFWFLSA-N	406.467	5.088	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](c3ccccc3)c3ccco3)s2)cc1	517114986	HGNLTQCWBYQZIT-OAQYLSRUSA-N	414.490	5.110	30	20	HKED	
CCCn1c(C)c(C(=O)Nc2cccc(OCCCC#N)c2)c2cc(OC)ccc21	517459969	BUDINAUJJGVZFZ-UHFFFAOYSA-N	405.498	5.303	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1cccc(Cl)c1	518207925	ZMTZISKJXMHELM-QGZVFWFLSA-N	419.699	5.136	30	20	HKED	
CC(C)OCc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	520408021	HYUDAQCYWYRMIQ-UHFFFAOYSA-N	416.546	6.028	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1cccc2ccccc12	520819391	YISBJCOHYATPDV-ROUUACIJSA-N	420.603	6.667	30	20	HKED	
COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c(Br)c1	523379318	KLCOOFOOUSHTKM-UHFFFAOYSA-N	419.344	5.302	30	20	HKED	
CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	523422170	FRYHATNPGRFTKF-PBHICJAKSA-N	415.588	5.135	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(Br)sc1Br	523878532	XKPYIACQTYDIDI-UHFFFAOYSA-N	421.179	5.163	30	20	HKED	
N#CC1(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CCOCC1	525586662	ZGGKAWILNKUGND-UHFFFAOYSA-N	421.349	5.088	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)c(C)c2c1	532503385	FNIGJGXPQXKNKM-UHFFFAOYSA-N	404.466	5.174	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C	533489287	XMVSFBPRUMLFDO-AOMKIAJQSA-N	413.562	5.535	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cncc(Br)c2)cc1	534578420	DZJVKLYRSWFZAP-UHFFFAOYSA-N	424.323	5.260	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3ccccc3)[C@@H]3CCCc4ccccc43)o2)c1	538228176	PDHXUVYPAWLGKT-RSXGOPAZSA-N	420.516	5.559	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1F	539174121	YARPZVHTYIGSFQ-UHFFFAOYSA-N	401.507	5.293	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nn1[C@H](C)C1CC1	539686636	CPLNDRBQOGIIMG-GOSISDBHSA-N	414.509	5.060	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21	540555058	GVAXTZVJDWWKFM-WMLDXEAASA-N	415.946	5.627	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2SC2CCCC2)cc1	540705991	ABVUGLAUNSICJH-UHFFFAOYSA-N	409.555	5.590	30	20	HKED	
C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1ccc(-c2cccc(C#N)c2)cc1	542079665	MWQNIISHUPKKNY-MRXNPFEDSA-N	412.518	5.395	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N(c2ccccc2)c2ccccc2)cc1	542983710	AILMDLPGMUWXEP-UHFFFAOYSA-N	403.485	6.273	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)ccc1Cl	543468139	JOMMTDKIZRTPOF-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1	553071640	SYZKDWMLWWUFDL-AWEZNQCLSA-N	419.472	5.768	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N2CCCCCC2)cc1C	560739198	NSRVHMBBZHJMSH-UHFFFAOYSA-N	421.541	5.053	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)NCC(C)(C)CCC#N)c(C(F)(F)F)c1	562142264	LLJQLRVMLDJTQS-ZDUSSCGKSA-N	401.498	6.047	30	20	HKED	
CCCc1c(NC(=O)N(C)c2ccc(OC(C)C)cc2)cnn1-c1cccc(C#N)c1	563857229	DMBWOGZWEWJJFG-UHFFFAOYSA-N	417.513	5.152	30	20	HKED	
N#CCCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc21	574753426	JNTMFKFFMNXKDH-LJQANCHMSA-N	410.502	5.559	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1F	575905228	LMGQJYMDQBTCLM-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(OCc2cccc(C)c2)c1	578216694	VPJYDRHQIYENGW-UHFFFAOYSA-N	420.509	5.270	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1ccc(C(C)(C)C#N)cc1	583896742	MMGRGHXBOJDMPM-UHFFFAOYSA-N	418.518	5.564	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCCC(=O)c2c(C)cc(C)cc2C)cc1	595442563	CEAMIVIWDXPQKS-UHFFFAOYSA-N	406.526	5.310	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)o1	603997746	JODLQVURLHDTPD-HXUWFJFHSA-N	406.869	5.361	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C4CCCC4)CC3)cc2Cl)cc1	604090423	YKUFBTVDQDUXMF-UHFFFAOYSA-N	424.932	5.096	30	20	HKED	
C=CC[C@@H](C)NC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606930252	ZGKQAPKTASAOMT-YPMHNXCESA-N	408.365	5.206	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1C#N	609032653	YHNQCIABQHUPMH-UHFFFAOYSA-N	407.470	5.134	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(Cl)c1Cl	609062465	NQMCUYZXHJJNEO-UHFFFAOYSA-N	411.288	6.005	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccco1)c1ccccc1C#N	609967783	GTSNJTNCOQQOFF-INIZCTEOSA-N	412.411	5.582	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)c2)cc1	609987093	AAXNCGBSENXNGI-RDGATRHJSA-N	411.505	5.200	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]1c1cccc(F)c1	611042188	IEFRFKNNLVPXND-QHCPKHFHSA-N	401.441	5.777	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	611548447	XNHHHWJFDONWOU-CRAIPNDOSA-N	402.416	5.348	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1	619516275	VNZRJKKPLDRIMG-UHFFFAOYSA-N	415.415	5.107	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c(Cl)c1	619558411	PZRPZHPCKWGNDZ-MQMHXKEQSA-N	413.226	5.560	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1	622545451	NGIJZMPPBIEXDM-UHFFFAOYSA-N	420.328	5.028	30	20	HKED	
O=C(c1sc2cc(F)ccc2c1Cl)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674445644	UJCOUEZPYDHECO-RKDXNWHRSA-N	419.749	5.507	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1	675627543	LNMLGEQNPWTOJS-URLYPYJESA-N	423.275	5.225	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1	727628401	KUYQLWOKXVIAMT-INIZCTEOSA-N	416.424	5.518	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1OC	729401949	KXZZIUXDBLGZQD-ZSOIEALJSA-N	424.497	5.259	30	20	HKED	
Cc1cc(/C=C\C(=O)c2c(C#N)c3n(c2C)CCC3)cc(C)c1OCc1ccccn1	730085965	WQNVNUWZFMTDED-KTKRTIGZSA-N	411.505	5.101	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730421876	QZRPFHYHVBSDEA-CMPLNLGQSA-N	408.376	5.098	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)nc(Cl)c1	730995047	OEJLSLRJTGQSEK-UHFFFAOYSA-N	420.243	5.665	30	20	HKED	
COc1cc(C2(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)CCCC2)ccc1C	731136151	OGTZAUBGJVLGBW-QGZVFWFLSA-N	423.463	5.437	30	20	HKED	
N#Cc1c(Cl)nsc1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1	731352406	WWNHKVJUODQWOU-UHFFFAOYSA-N	401.750	5.051	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](Cc2ccccc2)c2ccccc2)ccc1OC	733324241	XQMQKGXPCUZAMS-DNQXCXABSA-N	400.522	5.450	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C)c2nc3ccccc3s2)c(C)n1-c1ccc(C#N)cc1	734140867	JQEQHAPYYPLWSM-HNNXBMFYSA-N	400.507	5.067	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccncc1	734234451	OMKBZNWITWNOMC-LJQANCHMSA-N	424.298	5.079	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCCC[C@H]2[C@@H](C)CC)c1=S	738058816	VOXSFHKGLDTHCB-HKUYNNGSSA-N	400.592	5.134	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)c(OC(F)F)cc1C	742432746	GTCOGEPZXIUUBT-RMKNXTFCSA-N	412.436	5.113	30	20	HKED	
C[C@H]1CN(Cc2ccccn2)CCC1=NNc1nc2cc(C(F)(F)F)ccc2s1	743445403	SMEVRIYZDCOWLZ-ZDUSSCGKSA-N	419.476	5.020	30	20	HKED	
CCCCCC[C@@H](C)NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1	743450360	JKGKGNIXGGJWKC-CQSZACIVSA-N	408.518	5.388	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCC(C)CC1)c1ccncc1	745827287	IZIYOUBWVDVHBK-FQUBMZHMSA-N	421.541	5.218	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)Cc1cc2ccc(SC)cc2nc1Cl	746157176	UYFOJNUWHNEJHY-UHFFFAOYSA-N	411.958	5.130	30	20	HKED	
CCCCCOc1cc(C=Nn2c(S)nnc2-c2ccccc2C)ccc1OC	747042866	SPNTUMJOCCOOQF-UHFFFAOYSA-N	410.543	5.002	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)c(Cl)c1	754740500	IACIQWMYEWHHPW-CYBMUJFWSA-N	416.091	5.425	30	20	HKED	
C[C@@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1ccccc1Sc1ccccc1	760218749	CCXKUDNLXXTZSS-MRXNPFEDSA-N	421.497	5.318	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	760795577	CAXJXIVEEPAFIT-UHFFFAOYSA-N	422.268	5.411	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(C)C	761814874	SRNKKDZWCFRKPT-FQEVSTJZSA-N	420.431	5.168	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(c3ccccc3C)CC2)c1=S	764985256	OYXJMWVVNJWGJT-UHFFFAOYSA-N	419.598	5.198	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1	769449685	JEADGAGDTQVLEI-AVRDEDQJSA-N	402.519	5.015	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCCCCC#N)cc1	779408331	TXZANAKBDQMWCG-QJOMJCCJSA-N	417.578	6.289	30	20	HKED	
CC[C@H](C#N)SC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	780330050	PSVMJYMPLHOPAO-YDRQLGOLSA-N	417.943	5.189	30	20	HKED	
Cc1cc(C#N)ccc1NC1CCC(OC(=O)CCc2ncc(C(C)(C)C)o2)CC1	788203120	NOEWZRNFLFBRPR-UHFFFAOYSA-N	409.530	5.051	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	789141092	ABPBRRKHEGSPJS-FMIVXFBMSA-N	413.520	5.016	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	789368810	HLJQQABVOXEVLP-GOSISDBHSA-N	424.497	5.454	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)ccc21	792100033	COIUBDDOZUEABI-HXUWFJFHSA-N	413.477	5.022	30	20	HKED	
C=CC[C@H](OC(=O)CCc1nc(O)c2ccccc2n1)c1ccc(Cl)c(Cl)c1	797554756	YBHGLPYRPLZTJL-SFHVURJKSA-N	417.292	5.435	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC1(C#N)CCOCC1	797559423	MUJFEHWSSGFLBB-UHFFFAOYSA-N	423.296	5.249	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2cc(Cl)ccc2Br)s1	797567187	ZJVPGLZHWMOXAQ-GFCCVEGCSA-N	411.752	5.275	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1sc2ccccc2c1Br	810439968	HEIWUUGEPUVQIU-UHFFFAOYSA-N	404.260	5.067	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc(Cl)cc(Cl)c1F	863996312	WGLJBWYDBMARIB-LBPRGKRZSA-N	408.304	5.138	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915359014	HXTMCFMBZMWZAS-UQBPGWFLSA-N	413.521	6.012	30	20	HKED	
CCCCc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1	916012289	JQCBBPIFUZMKMJ-UHFFFAOYSA-N	405.489	5.662	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1cccc(Cl)c1Cl)CCCCC3	916273111	SUENAHWJCZECPF-UHFFFAOYSA-N	406.338	5.224	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1[C@@H](C)c1ccccc1	916913283	WAUHBMZKDSYJLX-JXFKEZNVSA-N	419.912	5.329	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)s1	918712357	JYNJJDAXSFUAMX-WAYWQWQTSA-N	409.410	5.485	30	20	HKED	
Cn1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1	920063817	FTTCNLIBUYPYFS-DAXSKMNVSA-N	408.266	5.260	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(Cl)c4)CC3)n2)cc1	920138721	HUOAKYOZJZOFHR-GOSISDBHSA-N	408.910	5.380	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C3(C)CCCCC3)CCC2)cc1	1786369899	BCQAMTOPLBSKFD-UHFFFAOYSA-N	412.574	5.074	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)[nH]n3)cc2)CCC1	1790128614	SBTRDMUHWGTECH-FQEVSTJZSA-N	420.557	5.049	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccoc1C	6912356	NZHFNOKEZAZGAL-UHFFFAOYSA-N	410.543	5.195	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nc2ccccc2o1	41540880	SUVNPKIRXXBBRL-HNNXBMFYSA-N	411.442	5.701	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CCCC[C@H]1C(F)(F)F	46533271	WEKLELIINVLNOA-UONOGXRCSA-N	415.349	5.411	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(Cl)c(Cl)c1	302965607	PVFHROIREDHCFW-UHFFFAOYSA-N	412.276	5.542	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1NC(=O)CC(C)C	304085022	WJUBNSJFZSRIMQ-KRWDZBQOSA-N	409.555	5.626	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	429687674	YFQKOCURIYWIPY-UHFFFAOYSA-N	421.419	5.655	30	20	HKED	
N#CCCC[C@H](NC(=O)NCCc1csc(-c2ccccc2)n1)c1ccccc1	431302066	YPGXNHDGECSGII-NRFANRHFSA-N	404.539	5.087	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1	431386152	XZOLUSSWCVWVQW-YADARESESA-N	414.509	5.669	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)N[C@@H](CCCC#N)c1ccccc1	431808460	BTVCQNFOLZLQOG-BWKNWUBXSA-N	418.585	5.295	30	20	HKED	
Cc1ccncc1CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	431890754	UBATUFYDHYAEQC-NRFANRHFSA-N	404.901	5.363	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433285751	STSHHYJCSOSGRK-HYBUGGRVSA-N	404.558	5.931	30	20	HKED	
C[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	436420391	FFGAMRNEHADSEI-KWQFWETISA-N	410.280	5.197	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)cc2)c1	438648924	KTXPKYRPUFLNRD-UHFFFAOYSA-N	419.431	5.335	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438654682	IUVPSNNRRJUOFB-UHFFFAOYSA-N	421.428	5.159	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(CCC(F)(F)F)CC3CC3)cc2)c1	438655559	MEGDPRSTPZNLHD-UHFFFAOYSA-N	403.404	5.547	30	20	HKED	
Cc1cc(C)c(-c2nnc(SCc3ccc(C#N)cc3OC(F)F)o2)c(C)c1	439539495	DTIMIBPXQQAILB-UHFFFAOYSA-N	401.438	5.427	30	20	HKED	
Cc1nc(-c2ccccc2)c(NC(=O)c2cn(CCCC#N)c3ccccc23)s1	444134718	BLGNZIXRNZVQAR-UHFFFAOYSA-N	400.507	5.629	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c1	463700275	UDCOIZBQLHGWIO-UHFFFAOYSA-N	415.497	5.213	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)NCC#Cc2ccccc2)C(C)C)cc1	465575826	UGKLMXRMIKLNFD-UHFFFAOYSA-N	412.533	5.334	30	20	HKED	
C=CCn1c(SCc2ccc(Br)c(Cl)c2)nnc1-c1ccccn1	468460633	PHXOSQTYXYWNOL-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
C[C@@H](CC(=O)N(CCC(F)(F)F)CC(F)(F)F)c1ccc(C(F)(F)F)cc1	468529694	HOUNOBOKROJKQP-JTQLQIEISA-N	409.292	5.542	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1	469463456	VXCFHKLWMKCMKU-HXUWFJFHSA-N	415.459	6.266	30	20	HKED	
CC(C)c1ccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2cccs2)cc1	471623084	WNVFUCYDCJDNLZ-QHCPKHFHSA-N	414.534	5.672	30	20	HKED	
N#Cc1ccc(CCC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1	472952007	OIQRFKXQYKAUQP-UHFFFAOYSA-N	417.336	5.005	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc12	474431658	DUBMVRFDIWLJOA-MRXNPFEDSA-N	424.526	5.605	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC)[C@H]1CCN(c2ccccc2)C1=O	475571510	VNSCKSRTEHSUEE-QFIPXVFZSA-N	405.542	5.198	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1	475578010	KPMDHCDZARVTTD-FQEVSTJZSA-N	414.933	5.618	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	476770653	GYQYCALNQGCHBX-FQEVSTJZSA-N	405.542	5.421	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1C1CC1	477311481	UQBHZYVRVQMJRB-KRWDZBQOSA-N	414.509	5.956	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)N(CCC(F)(F)F)Cc1ccccc1	478394270	QUJHJUKBHJBXMK-UHFFFAOYSA-N	422.344	5.509	30	20	HKED	
O=C(NCc1ccc(C(F)F)cc1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	482459471	WXFGKNQMTHQFNN-AWEZNQCLSA-N	424.316	5.328	30	20	HKED	
Cc1csc(-c2cccc(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)n1	482719197	FNQNGLRAAQFEOU-INIZCTEOSA-N	423.563	5.530	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1	482936076	XDKCVOAFVLXANW-NFBKMPQASA-N	421.541	5.161	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nccc2ccccc12	483193782	IJCQSELCBGNNCI-SFHVURJKSA-N	412.470	5.225	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	487066121	ZWJXWNFXYFRRRU-QHCPKHFHSA-N	418.924	6.173	30	20	HKED	
Cc1cccc(Cl)c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	489920673	FMQFFAQOYZIQRR-UHFFFAOYSA-N	404.897	5.475	30	20	HKED	
CCn1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1-c1ccccc1	495209628	BQAJRIIFNNGKFG-HNNXBMFYSA-N	406.898	5.323	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1	499095818	COVMTSPLVMTAIG-UHFFFAOYSA-N	413.408	5.326	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1	499419118	LFFAXCLXEKBHTK-HNAYVOBHSA-N	415.331	5.029	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1coc(-c2ccc(F)cc2)n1	499452111	BSQDWDLBSLRNPO-UHFFFAOYSA-N	403.438	5.262	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1	505359480	KNZVBRVLRCCVNO-MRXNPFEDSA-N	418.362	5.089	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CC1	506935020	VJTWIUWMQRMTRW-UHFFFAOYSA-N	421.394	5.794	30	20	HKED	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)N1CCC(C#N)CC1	506938648	WGZQHAXGLQMDJE-UHFFFAOYSA-N	417.918	5.013	30	20	HKED	
N#CC1(c2ccccc2)CCC(N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1	507614106	BSMYVUHQDWVNFW-JYNIAERNSA-N	401.941	5.818	30	20	HKED	
CCN(Cc1ccc(OCc2ccncc2)c(OC)c1)[C@H](C)c1ccc(C#N)cc1	508667550	TWJUNMQCXYDXJT-LJQANCHMSA-N	401.510	5.124	30	20	HKED	
CC(C)(C(=O)Nc1cccc(CSc2ccccn2)c1)c1cc(F)cc(C#N)c1	509514862	BFKCDCAYBHIDMN-UHFFFAOYSA-N	405.498	5.301	30	20	HKED	
CCC(CC)N(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CCCc2cccnc21	511279037	SSIPFKMAGYUHOM-QFIPXVFZSA-N	414.509	5.317	30	20	HKED	
CC[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(OC)c(OC)c1	512885961	VHOOFRIRZFYVCT-DEOSSOPVSA-N	416.521	5.395	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(Cl)cc1	513696034	RDDMBZVAFIGBGC-MRXNPFEDSA-N	420.925	5.749	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)c(F)c1	515626990	MQSREXWVMVPKSU-UHFFFAOYSA-N	422.822	5.140	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccc(CN4CCCC4)cc3)no2)c2ccccc21	516995275	WYUFPWKFCMAMSU-UHFFFAOYSA-N	411.509	5.258	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2)cc1	517645600	BOHOZAHIAWEREE-SANMLTNESA-N	419.484	5.459	30	20	HKED	
Cc1cc(NC(=O)CNc2ccccc2SC[C@@H](C)C#N)ccc1Br	518660062	GZZJXGWHEUGVRT-ZDUSSCGKSA-N	418.360	5.060	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	519423961	LRXBYQRVCNBOSS-ROUUACIJSA-N	417.534	5.726	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)Nc2cccc(OCCCC#N)c2)c1	520681737	WLDCUBHBVAPYHM-UHFFFAOYSA-N	414.505	5.438	30	20	HKED	
COc1ccc(Cl)c2c1N(C(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)CCC2	521362040	ZSSQCZCFMKTFMD-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1	522620403	CQDJBTCYMJNUSK-UHFFFAOYSA-N	424.501	5.098	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(Cc3ccccc3)no2)n1	525004208	DLJSCRXOFAPOGI-GFCCVEGCSA-N	404.417	5.108	30	20	HKED	
CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	525025244	YRVYHDZISIHIKI-UHFFFAOYSA-N	423.582	5.193	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)o1	531271260	IKVWOXYDCBRERL-QFIPXVFZSA-N	421.541	5.013	30	20	HKED	
COc1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1OCCCC#N	531609373	OKLBBRJCHPIJEO-DEOSSOPVSA-N	421.928	5.305	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1	536972735	MYSKKGXSYDTPRB-UHFFFAOYSA-N	403.935	5.417	30	20	HKED	
N#CCC1CCN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1	541979924	PSZDOXSXGKICKY-UHFFFAOYSA-N	419.377	6.052	30	20	HKED	
Cc1c([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nnn1-c1ccccc1	542107096	ZBIPROFPBPRPLT-MOPGFXCFSA-N	407.521	5.526	30	20	HKED	
COc1ccc([C@H](NCc2ccc(CC#N)cc2)c2ccccc2)cc1Br	542208645	RCBQAZSEVAGCOH-HSZRJFAPSA-N	421.338	5.403	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)s1	543487394	NDNGAYNDCKXAQB-KGLIPLIRSA-N	407.992	5.475	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	554417613	JLDBKROUTVLUFX-UHFFFAOYSA-N	423.492	5.401	30	20	HKED	
C[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1cc(F)c(Cl)cc1Cl	556961092	INSIQLMETZAGAT-UONOGXRCSA-N	408.304	5.118	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H]3c3cccc4ccccc34)C2)c(F)c1	557455488	ZTNCXZWEZXBIPR-YKSBVNFPSA-N	413.496	5.041	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc2ccccc2n1C(F)F	563646675	UDYSDNRVNPHRAI-SJORKVTESA-N	416.475	6.382	30	20	HKED	
N#CC(CCSc1nnc(-c2ccc(F)cc2)o1)(c1ccccc1)c1ccccc1	569302199	FTYLLTXZDUDXEV-UHFFFAOYSA-N	415.493	5.868	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H](OC)c2ccc(F)cc2)no1	574078808	BRLKZTOYPXWLOF-QGZVFWFLSA-N	408.351	5.195	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2SCC(F)(F)F)cc1	603563247	IOFSKPJQTIXNHK-UHFFFAOYSA-N	424.448	5.293	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	604026894	XXTBMMCZJUDZPN-UHFFFAOYSA-N	419.868	5.605	30	20	HKED	
CCCN([C@@H](C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccc(C#N)cc1	604038400	YYBCHWMPEMQZPI-AWEZNQCLSA-N	411.354	5.168	30	20	HKED	
COc1ccc(CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609061325	ZZDFPAFTLQWOOT-UHFFFAOYSA-N	414.505	5.416	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nc(C)cs1	609207045	OCZCTIWBNRJUTC-LJQANCHMSA-N	406.511	5.697	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Br)cs1	609398269	PBWSHELMZUAQRT-LLVKDONJSA-N	410.362	5.084	30	20	HKED	
CC(C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	609711556	AFWRTLWWLQKCCF-QGZVFWFLSA-N	410.930	5.509	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](SC)c2ccccc2)cc1	610043407	ULKNKTLYXXRQPW-QFIPXVFZSA-N	404.491	5.402	30	20	HKED	
C[C@H](NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1cccc(C#N)c1	610361187	UEDPLFJKUFCFNV-KRWDZBQOSA-N	411.480	5.656	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612805680	MCKVWYJZAGASAC-GDNZZTSVSA-N	418.328	5.016	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	642157201	OSWBZNSXQCPXLF-GDNZZTSVSA-N	407.276	5.345	30	20	HKED	
FC(F)c1nc(C2(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC2)no1	644840149	XDDHSDRVVQEELK-UHFFFAOYSA-N	415.284	5.214	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C	680002017	XIFKHYVWDCERNV-UHFFFAOYSA-N	418.971	5.574	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC3(CCCCC3)CC2)c1=S	726592836	WPSNGPGGDNZHSW-UHFFFAOYSA-N	412.603	5.279	30	20	HKED	
N#Cc1ccccc1NC(=S)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@@H]21	727702278	ALIHBVBJSQSRNO-NQERJWCQSA-N	401.539	5.137	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1	727954260	YDBZEHCFEGIYCC-YDTSGJJXSA-N	408.885	5.022	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)c1	729164324	FYDGTQGEQDHEHJ-UHFFFAOYSA-N	406.338	5.105	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	729375693	QYEZOCZZMCSGKY-VWLOTQADSA-N	423.472	5.253	30	20	HKED	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc3ccccc3n2CC#N)cc1	729375729	SMKICCWWPTVACU-UHFFFAOYSA-N	415.474	5.006	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccc(C)cc2)cc1F	730178022	XJWNWWUTXWSVRP-UHFFFAOYSA-N	409.464	5.550	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730422017	RWWBCZLWQXKWIW-PGRDOPGGSA-N	418.518	6.145	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OC)c(OC)c2Cl)ccc1SC(F)F	730433599	GXJZZDWTYCNCRZ-QPJJXVBHSA-N	414.857	5.577	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCC2	732418313	PWQAIYIDWKPPOU-UNMCSNQZSA-N	416.550	5.648	30	20	HKED	
O=C1/C(=C/c2nccn2Cc2ccccc2)CC/C1=C\c1nccn1Cc1ccccc1	734095689	GHBRKGJJHVHLKO-GJHDBBOXSA-N	420.516	5.006	30	20	HKED	
CCO[C@@H]1CC(=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C12CCCCC2	741460581	OFYSWGSPJVQEGG-QGZVFWFLSA-N	419.451	5.085	30	20	HKED	
C/C(=C\C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1	742639036	RTSLWSKMMNOPJP-FOWTUZBSSA-N	414.427	5.050	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(OC)c(Cl)c3)o2)cc1	744033774	XHZCMWLKJUPILI-QGZVFWFLSA-N	422.868	5.132	30	20	HKED	
COC(=O)N(C)c1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1	748295587	JXPDIGAXBONMMT-UHFFFAOYSA-N	417.490	5.164	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1C#N	752294761	NOBZHUCNRIAHQC-OAQYLSRUSA-N	406.486	5.276	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1	752484230	GFYYNWMZXOKFJB-RPWUZVMVSA-N	415.468	5.166	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)nc1	752684540	BKVMTUARZPSZHP-PKTZIBPZSA-N	412.493	5.486	30	20	HKED	
O=C(OCc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1c(F)c(F)cc(F)c1F	756200746	YWYLEXPBCXLVMA-UHFFFAOYSA-N	419.252	5.274	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	756254658	DNRVAJKWMXQHLQ-CYBMUJFWSA-N	418.415	5.566	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(Cl)nc1	759039179	DYEVXHUZWNFHKD-YRNVUSSQSA-N	405.860	5.301	30	20	HKED	
CCN(C(=S)Nc1ccccc1C#N)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1	759673284	IGZSNDGJBSGPSC-SFHVURJKSA-N	415.562	6.014	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(F)cc2F)CCCC1)c1nc2ccccc2n1C(F)F	760971041	XKFCNSIODMUXFZ-AWEZNQCLSA-N	415.390	5.398	30	20	HKED	
FC(F)(F)COCc1noc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	761461565	AXIWVOPXAMNQNM-OWOJBTEDSA-N	420.231	5.357	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-c4ccccc4)ccc3Cl)CCO2)c1	762299030	QMKVFLFGMHXNFC-QHCPKHFHSA-N	402.881	5.092	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2s1	766238508	UKQSODHULDJHLW-YPMHNXCESA-N	417.303	5.253	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	766274951	MYMJKYNVWMTPOQ-GOSISDBHSA-N	417.292	5.002	30	20	HKED	
N#Cc1ccc(CN(Cc2nc(Cl)ccc2Cl)c2ccc3nc(O)[nH]c3c2)cc1	766826786	PDEXRADXMCRGPU-UHFFFAOYSA-N	424.291	5.049	30	20	HKED	
COC(=O)c1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	767728698	GEMSVMGLASWQJD-NTEUORMPSA-N	419.864	5.275	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1	768161254	VJVYVCNNKRTVIL-IBGZPJMESA-N	406.917	5.126	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)nc1)c1nc2cc(C(F)(F)F)ccc2s1	772639082	HBVAVDCHRLPCCD-GEIFVHNQSA-N	407.804	5.253	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)CSCc1ccccc1	772970227	BCMHRYDYGGUFAS-LAUBAEHRSA-N	408.567	5.028	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccn1[C@H](C)Cc1ccccc1	773760158	LEAFFYXPRLCHSJ-UTKZUKDTSA-N	409.489	5.287	30	20	HKED	
C[C@H](Oc1cccc2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	774065797	SWLJSPRMFRMWKS-KKSFZXQISA-N	423.497	5.479	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](Cc2ccc(F)cc2)c2ccccc2)ccc1OC	774238218	UORVFLCCIRZRDY-BJKOFHAPSA-N	418.512	5.589	30	20	HKED	
C[C@@H](NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(OCC#N)cc1	776164804	URVZMQDIJGMARG-QZTJIDSGSA-N	409.530	5.025	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	776985239	AYVWYNOOPFWIAA-UHFFFAOYSA-N	417.214	5.182	30	20	HKED	
C=CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1	778429439	NORUABSEDSXMOJ-HNNXBMFYSA-N	411.807	5.200	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	780166924	UHBWHDJNIGJOSD-CYBMUJFWSA-N	415.877	5.230	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	780486238	QKVWIDAWSZNHIR-ZTNFWEORSA-N	401.432	5.537	30	20	HKED	
N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nccc2ccccc12	792094162	DGPVRPFHBMEVAP-PBXDPIQXSA-N	400.787	5.710	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1	792886336	KCJGVWHKCOTFBQ-RMKNXTFCSA-N	418.802	5.721	30	20	HKED	
COc1cc2c(cc1F)C/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	798371040	FHYUHJLXKILZOG-CXUHLZMHSA-N	421.855	5.562	30	20	HKED	
FC(F)(F)COc1ccc(N[C@@H]2CCO[C@H](C(F)(F)F)C2)cc1C(F)(F)F	806158254	WHCXWUJQEDCHJC-SKDRFNHKSA-N	411.264	5.168	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)c2csc(-c3cc(Br)cs3)n2)CC1	809089340	ZCZNACKDGGDWIT-PHIMTYICSA-N	411.346	5.121	30	20	HKED	
N#Cc1cc(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cnc1C(F)(F)F	815476676	GPUXNARXJZSRDZ-UHFFFAOYSA-N	423.803	5.106	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)ON=Cc2ccc(Br)cc2)c(Cl)c1	852144402	OVEFCKGZIUWWQK-CYBMUJFWSA-N	409.711	5.097	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	914502427	SKWGIHXKUFAGMM-RVEPMOMFSA-N	415.375	5.029	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)c1	916897487	MPHASYVROMSCLO-GFCCVEGCSA-N	403.290	5.478	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccs3)n2)cc1	916915598	LNRLUPZBVQBTJC-MRXNPFEDSA-N	409.536	5.175	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997868	ZDPSKUUYKSHQCT-DYVFJYSZSA-N	415.345	6.487	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c2C)cc1	919864600	PPUJDRLVPZMYKI-UHFFFAOYSA-N	403.482	5.014	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)[nH]c4ccccc34)n2)cc1	920140799	BNDVSDVKSTVKQR-IBGZPJMESA-N	401.491	5.027	30	20	HKED	
C[C@H](C#N)OC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12	920705704	MKXWVUDZINORQS-BTDICHCPSA-N	413.296	5.298	30	20	HKED	
COc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	921263453	DMZKZEXEZINDBX-GZTJUZNOSA-N	419.408	5.144	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(C)cccc5[nH]4)CCC3)cc2)C1	1785807457	CLUQNKFAJPQODG-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/Sc1ccc(C)cc1	1798390644	XITYTFFBYHHWDM-LWDXMEGWSA-N	424.610	5.007	30	20	HKED	
CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B3OC(C)(C)C(C)(C)O3)c(F)ccc21	1857777406	WHLLLRUSMSVCKW-UHFFFAOYSA-N	417.450	6.103	30	20	HKED	
C=CCn1c(SCCc2ccncc2)nc2scc(-c3cccs3)c2c1=O	7112053	FKUAVCQMJVILBS-UHFFFAOYSA-N	411.577	5.102	30	20	HKED	
COc1ccc(Br)cc1-c1nc(COc2ccc(C#N)cc2)cs1	8528004	ZMWKVRFXAXWJOY-UHFFFAOYSA-N	401.285	5.032	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)c1	10172644	QZEHJXSDFOMMNL-UHFFFAOYSA-O	415.582	5.439	30	20	HKED	
COc1ccc(NC(=O)[C@H](Nc2ccc(CC#N)cc2)c2ccccc2)cc1Cl	15499159	IIOCWZGWOYIAQM-JOCHJYFZSA-N	405.885	5.207	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1cccc(C)c1	16862887	DWHYABUWXUCSHX-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCSc2c(F)cccc21	28044833	LTUBAYPMKDDYEY-IBGZPJMESA-N	420.534	5.815	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	41558074	AUMJUZREYSRBDW-NSHDSACASA-N	414.462	5.415	30	20	HKED	
C=CCn1c(SCCCOc2ccc(Cl)cc2)nnc1-c1ccccc1OC	57781551	FGVHPHBNDUFZSJ-UHFFFAOYSA-N	415.946	5.354	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cs1	58694266	PRXLXXRFZUAIIM-UHFFFAOYSA-N	423.563	5.663	30	20	HKED	
Cc1nc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc1SCC#N	107915476	PUOIMOAGUSYVND-UHFFFAOYSA-N	422.560	5.596	30	20	HKED	
C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1	237469637	YTJBRZMSTPSOEW-GOSISDBHSA-N	423.476	5.170	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc(NC(=O)c2ccco2)cc1	301351265	MSTFMPQOCHAHNI-UHFFFAOYSA-N	402.841	5.217	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	303326441	IUGAVQZZSIAXLH-LBPRGKRZSA-N	419.428	5.713	30	20	HKED	
CC(C)Oc1ccc(N/C(N)=N/Cc2ccc(COCc3ccccc3)cc2)cc1	303881048	HHYVFJLIACHPNM-UHFFFAOYSA-N	403.526	5.117	30	20	HKED	
C[C@@H](NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc(C#N)cc1	409786025	GYWTUNYQCDVKCC-IVZQSRNASA-N	408.860	5.348	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1	410394933	HYZMZWFJCOTDMD-UHFFFAOYSA-N	400.809	5.149	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](CC(=O)O)c2cccc(Cl)c2)c1	426821253	RFYYDQWQMNPHIP-QHCPKHFHSA-N	420.896	5.096	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	430412638	YCKRLZAHCZNWRG-UHFFFAOYSA-N	416.502	5.210	30	20	HKED	
CN(Cc1ccccc1OC(F)(F)F)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433630018	CBHDYWASUKKVQI-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
N#Cc1cn(CCC(C#N)(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2c1=O	434646243	AENOEKBBEVWLBF-UHFFFAOYSA-N	423.903	5.427	30	20	HKED	
Cc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1	437139483	WHBUGIXVECHURB-HXUWFJFHSA-N	417.896	5.190	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)cc2OC(F)F)c2ccc(F)cc2)cc1	437156497	PNDSLKFLJYKEGG-QFIPXVFZSA-N	412.411	5.187	30	20	HKED	
CCOCCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437492436	GESYDPHHHGGBHC-UHFFFAOYSA-N	420.440	5.157	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nc(C)cs1	437850149	WORATTXKFYKWML-HSZRJFAPSA-N	420.538	5.871	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2ccccc2)C[C@H]1C	439313259	HFKPQIJGXPKAKX-SFHLNBCPSA-N	407.583	5.145	30	20	HKED	
CCCc1c(NC(=O)Nc2ccnn2[C@@H](C)CC(C)C)cnn1-c1cccc(C#N)c1	439673888	VVWYSSVFVAKBTQ-KRWDZBQOSA-N	419.533	5.144	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1Cl	446842354	VWQCVRQCQOKHTM-TZIWHRDSSA-N	419.916	5.478	30	20	HKED	
Cc1cc(F)cc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	446858008	PUAVEGAVWLTGKX-FQEVSTJZSA-N	421.859	5.020	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C[C@H]1OCCc2ccccc21	460149636	IKFRLOGRZMVKTG-XMMPIXPASA-N	416.908	5.449	30	20	HKED	
N#CCCN(C(=O)c1ccc(COc2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2	460459752	LAAOMAVHQAVIJM-UHFFFAOYSA-N	422.500	5.322	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccccc1	463387664	BIFFYEDYHIVAGU-IHPCNDPISA-N	412.331	5.039	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OCCC	464397218	HQDXUVNGOSGVDF-INIZCTEOSA-N	406.404	5.168	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(CSc3ccccc3)cc2)CCC[C@@]12CCCCO2	468663073	VLZWKIFBNPNLPW-VWNXMTODSA-N	406.551	5.046	30	20	HKED	
CC(C)n1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	469123167	YUUZPRMJBMBYJP-CQSZACIVSA-N	405.310	5.384	30	20	HKED	
C[C@H](O)C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1	469692269	VEHBSWVRXBDQLS-RXVVDRJESA-N	415.493	5.027	30	20	HKED	
C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2ccccc2c1	469977086	ZGNBCLPTGVSNHQ-SFHVURJKSA-N	411.505	5.165	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H](c1ccccc1)C2	470339764	CUIFNGHYVAOFFN-QHCPKHFHSA-N	401.441	5.037	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)Nc2ccn(CCC#N)n2)c(C(F)(F)F)c1	470359426	OXHMLEBWRFKKGA-LBPRGKRZSA-N	411.453	5.350	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H](c1ccccc1)N(C)C	471141942	ZVHYWJUVWNMXCE-UUOWRZLLSA-N	415.562	5.131	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	474782348	XNXBXXCCXMVUNP-UHFFFAOYSA-N	409.873	5.366	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1	475551058	PTSUMGLZFPZCAU-UHFFFAOYSA-N	419.500	6.187	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	475552810	SGPZZFWAUMQEOT-GGAORHGYSA-N	410.533	6.062	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccccc1	476771053	AGDVITOLBPRCFV-CYBMUJFWSA-N	400.866	5.024	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@]4(C3)OCc3ccccc34)c2)cc1	477592320	ZUBWBZNHJKXYCW-SANMLTNESA-N	410.473	5.012	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1	478628732	LVJSPVRZKSQALK-MRXNPFEDSA-N	403.448	5.128	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)c2)cc1	482853283	YUKMNBDHDOIKDU-DEOSSOPVSA-N	414.461	5.161	30	20	HKED	
Cc1ccc2c(c1)CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C2	484198190	OGUYAOHTISTHEG-UHFFFAOYSA-N	411.505	5.230	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	485753464	VASSULIVGGKNRT-OAQYLSRUSA-N	417.534	5.155	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	489053193	WBAKMGNTINRLCJ-IBGZPJMESA-N	410.901	5.226	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	491284100	MWZYIITTZIQOOL-CYBMUJFWSA-N	414.252	5.130	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1	505000808	KKVIHXXTSSJRSO-UHFFFAOYSA-N	408.933	5.389	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	505044996	FYABCJOXFLKXPP-OAHLLOKOSA-N	409.477	5.692	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccc(C#N)cc1	505310529	KWSPCOZCAGSYLX-AWEZNQCLSA-N	424.957	5.472	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)[nH]c12	505982760	SWTUSJXARIULHS-LJQANCHMSA-N	405.461	5.009	30	20	HKED	
CC[C@](C)(C#N)C(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	507166823	FOOPEMOTSFNEJR-XMMPIXPASA-N	401.466	5.222	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C	507632042	CELUPKXBOGDKNM-JTQLQIEISA-N	409.374	5.632	30	20	HKED	
CN(C)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	510010381	PNLPOTOWPWROAX-PZJWPPBQSA-N	422.916	5.013	30	20	HKED	
C=CCN(C(=O)[C@H](C)Cc1ccc(OC)c(OC)c1)c1nc(-c2ccccc2)cs1	510330600	YHCVRVUGEVVFSN-QGZVFWFLSA-N	422.550	5.225	30	20	HKED	
COc1cc(C)c(Br)cc1C(=O)Nc1ccccc1SCCC#N	511838723	QAQHUCBTFMZWKR-UHFFFAOYSA-N	405.317	5.024	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H]3CCC[C@H]3c3cccc(C(F)(F)F)c3)o2)c1	511873867	CKMFZHXPPWMYCJ-OALUTQOASA-N	412.415	5.053	30	20	HKED	
C=CCOc1ccc(CNCc2csc(COc3ccc(Cl)cc3)n2)cc1	512561965	OCUGOHSXVSKCKK-UHFFFAOYSA-N	400.931	5.230	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CN(CC)[C@@H](C)c2cc3ccccc3o2)cc1	513414179	CEWDRNWUKBFHAR-IBGZPJMESA-N	419.525	5.161	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CC1	513770364	YPPPJBPBTREIMF-LLVKDONJSA-N	409.342	5.197	30	20	HKED	
CCOc1cc(C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513988912	FHAVPCMKKONECZ-UHFFFAOYSA-N	417.484	5.639	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOc1cccc2ccccc12	517533158	TYAXCBYDGHEPEA-KRWDZBQOSA-N	405.523	5.435	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1scnc1C	519188285	KYRXJWBFRJTVSB-GOSISDBHSA-N	411.575	5.012	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cs1	520101044	RLISHTRFJITADX-UHFFFAOYSA-N	419.550	5.201	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1	521109668	DLOBKRMRJSAIGT-HXUWFJFHSA-N	411.933	5.272	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(Cl)cc1	521604632	PJJVPXATVUTRGS-OAHLLOKOSA-N	409.923	5.673	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc4cc(F)ccc4o3)c2)cc1	522741399	OYCOSYBXPCNRRR-UHFFFAOYSA-N	400.409	5.469	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc(C(C)C)nc2C)cc1	522980760	UMSSMZFXOBSNHE-UHFFFAOYSA-N	407.495	5.500	30	20	HKED	
Cc1nc(NC(=O)c2c(F)cc(C#N)cc2F)sc1Cc1ccccc1Cl	531266790	ZBLAFAOIEKIXSN-UHFFFAOYSA-N	403.841	5.098	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1	532508115	SXICGZWHHCVCDD-KRWDZBQOSA-N	402.519	5.118	30	20	HKED	
COc1ccc(CSc2nnc(-c3ccccc3C)n2Cc2ccco2)cc1C#N	533009721	VSROSBXLPPEJFM-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
COc1ccc(CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1C#N	533468832	PWIIGHMXULEWFC-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1	534489124	YENWIVYDPPKUND-UHFFFAOYSA-N	419.594	5.675	30	20	HKED	
N#CC1(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CCSCC1	535191424	OOHXLGNOQHXLNL-UHFFFAOYSA-N	413.612	5.085	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cncc(Br)c1	535311936	CGSXUIMQDOMICK-UHFFFAOYSA-N	410.296	5.119	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1Cl	535624959	RMJTUJGUOFBKHI-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SC4CC4)cc3)n2)cc1	541198932	GQAZYFXYYRSQPY-LJQANCHMSA-N	401.516	5.426	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)c(C#N)c1	541605297	GYCGOKKMXLZVND-UHFFFAOYSA-N	401.853	5.223	30	20	HKED	
Cc1c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1CC(C)C	542028119	NGQDYBUGWNQCSX-QGZVFWFLSA-N	401.514	5.269	30	20	HKED	
N#C[C@@H](C(=O)c1scnc1C1CCCC1)c1nc(-c2c(F)cccc2F)cs1	546863491	QYWCFNDBZBHFES-LBPRGKRZSA-N	415.490	5.692	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Br)c(C)c1	554057069	NNAQUPBIFZSHHR-UHFFFAOYSA-N	405.340	5.145	30	20	HKED	
COC(=O)c1c(F)ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C	558553414	DAAKSPQTERHAQI-UHFFFAOYSA-N	418.424	5.031	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)c1ccccc1	561662426	SXOTZBRFCOOTKL-NRFANRHFSA-N	415.459	5.672	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3c4ccccc4CC34CCOCC4)c2)c1	563756749	SQXIPJWWJKLLPT-HHHXNRCGSA-N	424.544	5.321	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1	577148238	RVYFLGDOJABDFD-NRFANRHFSA-N	408.933	5.176	30	20	HKED	
N#Cc1ccc(C2=CCN(c3nnc(C4CCCC4)n3Cc3cccs3)CC2)cc1	582878949	TZRUDBPSBWLNTK-UHFFFAOYSA-N	415.566	5.211	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCCOc1c(Cl)cccc1Cl	603773039	NYGDGMRQGKRLHV-UHFFFAOYSA-N	415.729	5.269	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c12	603968932	NLQCOXRSDUNJOZ-UHFFFAOYSA-N	400.463	5.261	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1COCc1ccccc1	604008248	DTXBMIFHHQDWRI-UHFFFAOYSA-N	417.534	5.070	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC	609061382	BHIOHXWEZZDNTP-UHFFFAOYSA-N	416.477	5.105	30	20	HKED	
Cc1csc2nc(CSCc3ccc(-c4ccccc4C#N)cc3)cc(=O)n12	609235144	ZLADLAXDJHJRQF-UHFFFAOYSA-N	403.532	5.037	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(Cl)c1	609379145	VWVZWZWRAFUATO-UHFFFAOYSA-N	420.865	5.165	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609677918	MKGWCGNDGZKFTL-OXJNMPFZSA-N	402.523	5.015	30	20	HKED	
COc1cc(CSCc2cccc(C#N)c2)ccc1OCc1cccc(C#N)c1	609741113	GVKLHBMVNODETE-UHFFFAOYSA-N	400.503	5.451	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609986016	PRFDEODKQXLTNS-INIZCTEOSA-N	412.518	5.745	30	20	HKED	
COc1ccc([C@H](C)CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	610320095	QKWMTEHFCPBGMW-QGZVFWFLSA-N	416.481	5.069	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)CC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1C	610725854	IXMXSQLXQZGEHT-OAQYLSRUSA-N	416.525	5.067	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1	610893292	PBRPWYWLRZPZCY-URFUVCHWSA-N	420.503	5.535	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)c1	610962004	YBUQRGHMEMCOIJ-UHFFFAOYSA-N	418.403	5.134	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@H](C)c1cccc(C#N)c1	619551842	WCTUOHFEMQYXDB-LLVKDONJSA-N	400.265	5.320	30	20	HKED	
C=CCC(C)(C)CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F	647120830	BEPJGORCAQHRFU-UHFFFAOYSA-N	419.369	5.242	30	20	HKED	
O=C(Nc1ccc2c(cnn2C(F)F)c1)N[C@@H](c1c(F)cccc1F)C(F)(F)F	679566792	MPVMFDYFYPALKW-AWEZNQCLSA-N	420.288	5.135	30	20	HKED	
CCCCn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1	681173479	ANTUDOIPBYBMCT-ZDUSSCGKSA-N	406.433	5.110	30	20	HKED	
C=CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1-c1ccco1	685350267	HKUWUBJZGUNZBT-UHFFFAOYSA-N	413.506	5.331	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3cccc4cccnc34)SC2=S)cc1Cl	726626440	GMRLORYAIISOCM-RQZCQDPDSA-N	407.907	5.166	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cnc(-c3ccccc3)s2)cc1	727253397	HPLJDYQCBJXHIY-UHFFFAOYSA-N	411.943	5.230	30	20	HKED	
N#C[C@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc2cc(F)ccc2s1	730416147	BACIHDXRFMJLHB-BRVCPTFNSA-N	422.481	6.053	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3ccccc3SCCC#N)c(F)c2)c(F)c1	730982823	XCOHDRFSQAOSRO-UHFFFAOYSA-N	424.472	5.898	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCc3nccn3Cc3ccccc3)cc2)cc1	732377462	NHZVEUPMKZRJAS-UHFFFAOYSA-N	423.472	5.147	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=S)Nc2ccccc2-c2ccccc2)c1	733753902	GJFVBVZECCROSW-HXUWFJFHSA-N	401.535	5.521	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c(C)c1	733843782	AMDBOVZQZYGFNG-PKOBYXMFSA-N	411.571	5.888	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2C)c1	733844368	KPNYDWXRZLXFQZ-GOSISDBHSA-N	411.571	5.888	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1	733850517	PSXWQHWEEQXISH-HYBUGGRVSA-N	416.525	5.286	30	20	HKED	
O=C1/C(=C\c2nccn2Cc2ccccc2)CCc2nc(-c3ccccc3F)sc21	734095763	SPIPCRBURYVYEJ-VKAVYKQESA-N	415.493	5.407	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)[nH]c12	735789050	JBPCWPXRHQBLMW-BMWLXYDHSA-N	403.791	5.433	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2cncc(F)c2)cc1OCC	737446094	ODRBVRHURVMSTF-AATRIKPKSA-N	408.267	5.067	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c(SC)cc1OC	741166182	YHDFMZGMZUFUKP-HJWRWDBZSA-N	424.474	5.280	30	20	HKED	
COc1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2)cc1C#N	742369080	LXZARPCERGTCAI-JOCHJYFZSA-N	407.311	5.209	30	20	HKED	
CCOC(=O)CCOc1ccc(C(=O)/C=C\c2csc(-c3ccccc3)n2)cc1	745020229	GNUKQGQZOVRURN-RAXLEYEMSA-N	407.491	5.038	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)cc2)c1	747107330	CKOROLSYRZEGAX-LJQANCHMSA-N	420.852	5.102	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1	749001644	UAXFKYXDWBPPCX-UHFFFAOYSA-N	407.992	5.175	30	20	HKED	
C=CCCCN(C)C(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12	749396027	CTJXJPPDMJYJLV-UHFFFAOYSA-N	410.315	5.098	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc(C)nc21	751083369	IPCYLWIUUIXCCM-JPYJTQIMSA-N	423.520	5.619	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)cc1C#N	752295808	XMKUTDAZTFZRNV-HNNXBMFYSA-N	420.469	5.488	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1	752484200	FHCUDXGYDOXFLE-VWLOTQADSA-N	410.521	5.005	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)nc1	752684543	BKVMTUARZPSZHP-XZOQPEGZSA-N	412.493	5.486	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1cccc(C(F)(F)F)n1	754704278	BDQWJRXXYAHOCS-UHFFFAOYSA-N	421.854	5.568	30	20	HKED	
CC(C)Oc1ccc(-c2noc(Cc3cccc(OCC#N)c3)n2)c(C(F)(F)F)c1	761930679	KSGQNTVAYMZVLI-UHFFFAOYSA-N	417.387	5.036	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1	762635939	LUWSQMMSESABOA-VWNXMTODSA-N	424.504	5.297	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1cc(Br)ccc1F	763121045	CNEZCIGYRPMTNT-BAQGIRSFSA-N	412.258	5.458	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2csc(-c3ccco3)n2)cc1	764047751	BTLZBWQTWJMANO-FQEVSTJZSA-N	414.490	5.380	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(Cl)cn3)n2)cc1	769280651	BJZRXWHITYSLMS-INIZCTEOSA-N	409.898	5.006	30	20	HKED	
Cc1cc2occ(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2cc1C	770490411	PDYAFXXFVSGTOI-CQSZACIVSA-N	422.506	5.097	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1	773288214	ZQOKKIJKOUIHKJ-QFIPXVFZSA-N	401.441	5.060	30	20	HKED	
CCC(CC)CNN=Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1	774461732	JCZLHCUDKNIRGP-UHFFFAOYSA-N	412.481	5.206	30	20	HKED	
COc1cc([C@@H](C)NCc2cc(Cl)ccc2OCC#N)ccc1OC1CCCC1	775017184	GMWQZFIBDQLSCZ-MRXNPFEDSA-N	414.933	5.423	30	20	HKED	
C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(OCC#N)cc1	775339654	YFQSZZMXZYPFOV-FQEVSTJZSA-N	408.505	5.292	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCc2c(Cl)cccc21)c1nc(-c2c(F)cccc2F)cs1	776084419	ODVRRFLUQNABGL-UONOGXRCSA-N	414.864	5.648	30	20	HKED	
C#CCN(C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)C1CCCC1	779699771	WRPSXNZOGJEBEH-MRXNPFEDSA-N	417.269	5.030	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c3c(C)noc3n2)cc1	780150834	WRVTYABJHDKFPJ-OAHLLOKOSA-N	412.449	5.050	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccccc1O[C@H](C)C#N	780671628	WPNOFIKBPNDFBB-GOSISDBHSA-N	400.482	5.093	30	20	HKED	
C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN2CCC[C@](C)(C#N)C2)c1=S	784012614	IJNQAXRUMZPKDE-YADARESESA-N	417.582	5.274	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1cnc2ccccc2n1	792101615	SQOXUZBALXYFRS-DVECYGJZSA-N	413.864	5.280	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1=S	794654546	CVMYGDPKKURJCE-WFASDCNBSA-N	416.900	5.151	30	20	HKED	
CC(=NNc1ccc(C#N)cc1C(F)(F)F)c1sc2nc(C)nc(C)c2c1C	799493184	YFSNFCDQHHOZOD-UHFFFAOYSA-N	403.433	5.343	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1	806401449	QTEABFPRTMYUDL-YJYMSZOUSA-N	419.403	5.149	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)c(Cl)nc1C	808235460	QPPBVGHYYOVPAZ-UHFFFAOYSA-N	413.264	5.317	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](Nc1ncc(C#N)cc1Cl)c1ccccc1	811869625	TVNHLMORPVMMIS-SFHVURJKSA-N	400.910	5.065	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1C	814577859	UKNDNEFSRNERMC-NRFANRHFSA-N	401.466	5.312	30	20	HKED	
Fc1ccc(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	914707430	WBTIWNMYYLUBQW-HTQZYQBOSA-N	422.797	5.675	30	20	HKED	
CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1ccc(NC(=O)NC2CC2)cc1	915049834	ZILNJSNHIZJMJU-UHFFFAOYSA-N	407.905	5.317	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915086003	DWZXLBUHORXUFX-NRFANRHFSA-N	406.445	5.158	30	20	HKED	
N#Cc1ccnc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c1	915795644	FUJIKIMSYGROTN-UHFFFAOYSA-N	407.109	5.298	30	20	HKED	
CCc1ccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	916026289	UXCPZWAJGGPQOQ-UHFFFAOYSA-N	401.535	5.703	30	20	HKED	
Cc1nc(NC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)sc1SCC#N	916089449	FUHPEEHOPOJBQE-RVDMUPIBSA-N	415.540	5.447	30	20	HKED	
CC(C)c1cccc(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	916930595	DOLILSJFWDCNEG-DYVFJYSZSA-N	419.308	5.232	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc(Cl)ccc2o1	916945471	BOVDQIOTIBFXPB-AWEZNQCLSA-N	407.640	5.354	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(Br)c1	917025522	MIIXZLCLLWDWHG-OAGJVSPASA-N	423.335	5.771	30	20	HKED	
CC(=NOCc1csc(Cc2ccccc2)n1)c1nc2ccccc2n1C(F)F	918732942	DBSYRQRGHGSZSM-UHFFFAOYSA-N	412.465	5.420	30	20	HKED	
C[C@@H](Cc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	921136499	KHVZOLZPJPKPGF-WFASDCNBSA-N	400.425	5.282	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1	1790894343	QRBZOGCJKQMLPK-QGZVFWFLSA-N	402.494	5.393	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C	1795128748	YZTPRONWSAENPH-REPLKXPHSA-N	414.590	5.130	30	20	HKED	
CC(C)(C)CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C#N)CC1	1823889905	FRYVAJDWANBYSI-NRFANRHFSA-N	417.638	5.152	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826367990	LXRQLXFXQPHUJR-JWQCQUIFSA-N	422.613	5.007	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1	1828010997	GNHYRDCQUIPMAR-CPJSRVTESA-N	418.581	5.285	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NCc2ccccc2)c1	28777382	QXXWESFFAWQAHG-UHFFFAOYSA-O	417.598	5.309	30	20	HKED	
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc1OC	29105565	APJDIABBWWOIAJ-HNNXBMFYSA-N	408.523	5.183	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)[C@@H](C)c1ccc(C#N)cc1	45500907	RTSGPRXYDREBQQ-HNNXBMFYSA-N	409.436	5.034	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1F	48161678	VWJTVEFMHRYWRE-UHFFFAOYSA-N	403.457	5.101	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3sccc3Br)c2)c1	49759089	BKTGIEBLDWLRRS-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)c2)c1	55772203	QMGMTIYNLBAXDI-RBUKOAKNSA-N	415.415	5.118	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CSc2ccc(F)cc2)cc1	55823488	IXJNKISQYQRWDF-UHFFFAOYSA-N	406.482	5.202	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccn2)cc1Cl	56661247	APUMTKTXHPCNJF-REWPJTCUSA-N	416.912	5.759	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1OC	60950068	SLSCRPUZZKAVHI-VWLOTQADSA-N	416.521	5.120	30	20	HKED	
CCN(C(=O)CCCc1ccc(Br)s1)[C@@H](C)c1ccc(C#N)cc1	97174686	YRBPXJKKEHRCGZ-AWEZNQCLSA-N	405.361	5.315	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)s1	108394763	AMRYUDADYAEWGF-UHFFFAOYSA-N	421.469	5.885	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1OC	248138622	POMLUUYHJZWZAJ-UHFFFAOYSA-N	400.887	5.289	30	20	HKED	
Cc1ccc([C@H](C)NC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)cc1C	302983300	QHSDGOYNUJCIIS-FQEVSTJZSA-N	413.521	5.043	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@H]1CCCO[C@@H]1c1ccccc1	303049264	UWBFTOHXXCIZEU-OPAMFIHVSA-N	409.436	5.288	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F	303919409	SQJFJCALRUUVFS-FPOVZHCZSA-N	404.416	5.679	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	303995403	JLOIXVKVLRMDSH-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCCO)Cc1ccccc1	426083952	IUSQSTAZGCHOSE-UHFFFAOYSA-N	415.493	5.076	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)oc12	431775647	YOWINSALFRSIGH-YLJYHZDGSA-N	405.498	5.627	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccccc1	432762467	GXEXTYQBTMGGSP-NHCUHLMSSA-N	407.514	5.191	30	20	HKED	
FC(F)(F)C[C@@H](NCc1ncc(C(F)(F)F)s1)c1ccc(C(F)(F)F)cc1	433341417	SIVWXVGXROOTGH-SNVBAGLBSA-N	422.316	5.964	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C)c1ccccc1	435657850	XNHWQBJWYWJWBT-GOSISDBHSA-N	419.447	5.116	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cnn1-c1cccc(C#N)c1	439675975	VRHDQGBVFKCYPH-JOCHJYFZSA-N	417.488	5.205	30	20	HKED	
N#Cc1ccc(CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c(F)c1	443465353	WSBAKQHUMFYADZ-UHFFFAOYSA-N	404.832	5.698	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)C1(C#N)CCCC1	460238506	NGKHTDKQWXESJR-UHFFFAOYSA-N	404.489	5.754	30	20	HKED	
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1	460369079	HZGRKOKBMCOTLS-SFHVURJKSA-N	406.578	5.121	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CCOCC2)[C@H]1C	460371690	CDUYHEZNYOAKJL-NHCUHLMSSA-N	424.589	5.006	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1ccccc1N(C)C)c1ccc(-c2cccc(C#N)c2)cc1	460887058	XZCULUMMVRTGAL-LJQANCHMSA-N	412.537	5.194	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	463506588	KYBABGXERGTKQM-VHSXEESVSA-N	423.284	5.049	30	20	HKED	
COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	466133304	URLZJMDBIIPKFV-INIZCTEOSA-N	419.456	5.689	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cc(-c3nc(C)co3)ccc2C)c1	469877595	BASBIAZUZHSTGK-FQEVSTJZSA-N	416.525	5.323	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(O)c3ccccc3c2)cc1	471794756	VLWQQBRUMAXWDT-UHFFFAOYSA-N	408.457	5.443	30	20	HKED	
CCNc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	474784097	OGBAAQFFFSXSRD-UHFFFAOYSA-N	406.873	5.392	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)c2ccccc21	475493021	FQKYUPYZTLSWBE-OAQYLSRUSA-N	400.865	5.115	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)c2ccccc21	475505442	CACXLWRPPKJLGJ-OAHLLOKOSA-N	404.413	5.020	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	475662983	SPYUXNJRMJVJQA-LVXARBLLSA-N	415.512	5.555	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NC3(c4ccc(Cl)cc4)CC3)s2)cc1	482142355	OPRHSTGKCDKPLX-UHFFFAOYSA-N	408.914	5.070	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nccc2ccccc12	483215953	JHUAQANHIDWUOY-FQEVSTJZSA-N	404.429	5.171	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1	483449359	JMROMVGYOZMQHU-HSZRJFAPSA-N	421.516	5.399	30	20	HKED	
C=CCSc1ccccc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1	485452611	HZSLOHQKLZEGPI-UHFFFAOYSA-N	401.959	5.096	30	20	HKED	
CN(Cc1ccccc1NCc1cc(C#N)ccc1F)C(=O)c1cc2ccccc2o1	487347990	AGBYVLQPTDEERW-UHFFFAOYSA-N	413.452	5.328	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)c(F)c3)s2)c(C(F)(F)F)c1	487422406	XXRWKKYJIHMFJG-UHFFFAOYSA-N	423.366	5.155	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(C)cc1	489657808	IITGXEIDFUAUAP-LJQANCHMSA-N	420.582	5.484	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	490216810	MLOWRNHSZROMSW-UHFFFAOYSA-N	405.420	5.100	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3)n2Cc2ccco2)cc1	494096176	HOMRHNUIPIAULX-NRFANRHFSA-N	400.507	5.122	30	20	HKED	
C=CCOc1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1OC	496583946	VFABIXCFPITIQC-UHFFFAOYSA-N	405.416	5.084	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1	500299499	TXOZFDQUROPWEA-SFTDATJTSA-N	411.343	5.109	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1	503498296	LDQBZKNXSKCCDP-UHFFFAOYSA-N	420.472	5.543	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cs1	503641827	GSKQLGWIPCSXDS-UHFFFAOYSA-N	400.507	5.311	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1	505016367	GKBQGNWNQPXIRQ-IBGZPJMESA-N	420.488	5.406	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1/C=C\c1ccccc1	505839434	MLFUJOILFBVDOT-UNMSRYOUSA-N	405.567	5.055	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](C)c1ccc(F)cc1F	507577520	JDPAFBNPYMTLDF-CQSZACIVSA-N	407.420	5.465	30	20	HKED	
O=C(Nc1nc(C(F)(F)F)cs1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	507600045	BSCCQKLKQZYVKA-SECBINFHSA-N	401.307	5.116	30	20	HKED	
C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	507844225	KFPMPNRRPCJHTH-MRXNPFEDSA-N	422.916	5.077	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c2cc(Br)ccc2n1	508587024	IOCLDJXOOJUDKY-UHFFFAOYSA-N	424.298	5.217	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCSc1ccc(Br)cc1	509578549	ICTSHNIVGAPRGO-UHFFFAOYSA-N	419.344	5.229	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	510245799	XSEYZLDLJHYAJI-UHFFFAOYSA-N	412.405	5.301	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cc(-c3ccccc3)no2)cc1	510617695	QAONRYAWGPZVGK-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)s1	511514033	QWPWJQUHXZHVCN-ZDUSSCGKSA-N	424.913	5.408	30	20	HKED	
CC[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(Cl)s1	512229320	YSLBGTMQPMMCGK-HNNXBMFYSA-N	416.959	5.593	30	20	HKED	
COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)ccc1OCc1ccncc1	512642131	MOBBXTULVVMQPI-DLBZAZTESA-N	405.473	5.092	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2	515179581	KCWRKADZGORUKN-AWEZNQCLSA-N	421.497	5.269	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(-c2ccccc2Cl)on1	515690865	NAZBUHVHRWGWLZ-UHFFFAOYSA-N	405.866	5.847	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1	515749183	LOESWSCGYNJOGT-FQEVSTJZSA-N	407.558	5.288	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC(F)F)c1	517461709	MPCCPSOXZVIWLS-UHFFFAOYSA-N	416.371	5.565	30	20	HKED	
Cc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N2CCCC2)cc1	518260085	UWDQTNGXXUSCMV-UGKGYDQZSA-N	422.598	5.348	30	20	HKED	
CC(C)COc1ccc(CCNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	518756113	YYDFJBGZAPAWPQ-SFHVURJKSA-N	411.571	5.480	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cnc(-c4ccccc4)nc3)c2)cc1	520035537	ZNNNJVCVEAUEDB-UHFFFAOYSA-N	420.472	5.041	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C	521173588	BTHQKIGBKFMPQR-KRWDZBQOSA-N	407.539	5.244	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	521569501	ARLZNOHNXWEACY-UHFFFAOYSA-N	423.516	5.583	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1	521657286	BBJQAVZPWAKIQE-CQSZACIVSA-N	410.930	5.721	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(Cc2ccccc2F)n1	522739772	PLKSRJKGHRHFLQ-UHFFFAOYSA-N	406.935	5.416	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1	524114375	VAHQBBBACLGUDC-QGZVFWFLSA-N	404.466	5.008	30	20	HKED	
N#Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1	530668363	TVRAQBCCUKMGQE-UHFFFAOYSA-N	410.304	5.032	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1-c1ccccn1	535096254	NDMALCMFVQEFTN-MRXNPFEDSA-N	403.507	5.261	30	20	HKED	
C=CCc1cc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc(OC)c1O	537730792	MRDVCLJAVROGIX-PMERELPUSA-N	421.562	5.190	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCc3cc(Cl)cc(Br)c32)cc1	548994400	FYJVZQUTCPGEHO-UHFFFAOYSA-N	403.707	5.107	30	20	HKED	
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1	551321332	ASLUVYZZUUIUPV-SFHVURJKSA-N	400.453	5.107	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1OC	554007746	KMVZOEDUJHLQLQ-MRXNPFEDSA-N	412.898	5.279	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)Nc2cc(C#N)ccc2OC(F)F)c1	557231136	PATNKLWLZXKNOB-UHFFFAOYSA-N	422.431	5.228	30	20	HKED	
CC1(C(=O)Nc2ccc(OC(F)F)cc2)CCN(c2ccc(Cl)cc2C#N)CC1	557351583	CGSVMXQKTJAXPX-UHFFFAOYSA-N	419.859	5.058	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(-c3ncco3)c2C)cc1	566990450	MYZUQRVLSVQSDG-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
N#C[C@@H](C(=O)c1occc1COc1ccccc1)c1nc2cc(Cl)ccc2s1	568369598	USJVJJAVNGOGNY-INIZCTEOSA-N	408.866	5.612	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	572260358	ZSTUMYZVLMNLOX-AYWYSENESA-N	405.567	6.023	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3nnc(-c4ccccc4Cl)o3)cc2)ccn1	572450452	CWXGCTVSMOMGOS-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3cccc(-c4cccnc4)c3)cc2)ccn1	579169257	PAMHLBMDQBMUNI-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3(F)F)C2)cc1Cl	584380221	QWACCECJHBAWJT-KRWDZBQOSA-N	401.844	5.258	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccsc2)oc1C	588351209	JMQGSAJDZTZQBN-UHFFFAOYSA-N	408.552	5.372	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)CCCCCC#N)c(Br)c1	588731333	CMFCAOZIBBWJAG-UHFFFAOYSA-N	403.320	5.353	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NCc1cn(CCC#N)nc1-c1ccncc1	589184115	AKFIQZNMQVPBET-UHFFFAOYSA-N	414.557	5.160	30	20	HKED	
CC(C)(C)n1nc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1C1CC1	603891737	RBCSHUAYRYWQBX-UHFFFAOYSA-N	414.509	5.218	30	20	HKED	
CCN(Cc1csc(-c2cccc(OC)c2OC)n1)[C@H](C)c1ccc(C#N)cc1	604468263	PMBWDKMNBGPJSQ-MRXNPFEDSA-N	407.539	5.282	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(CCC#N)CC(C)(C)C)cc12	609191587	SFVZVVQZVPRHIM-UHFFFAOYSA-N	414.962	5.451	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)c2)cc1	609208873	IPDGSUFQTHEYJV-XMMPIXPASA-N	412.493	5.895	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c3ccc(C#N)cc3)s2)cc1	610090075	KOYLUWHXKWLHOI-WMZOPIPTSA-N	418.566	5.762	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCC(C)CC2)c1	610096506	BYJLEHJUKNPMLT-UHFFFAOYSA-N	408.502	5.051	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	610157273	SQOJJNFHAQNEEP-HUUCEWRRSA-N	406.429	5.333	30	20	HKED	
N#CCn1c(C(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)cc2ccccc21	611208236	SOYDXKWLCFOHSI-UHFFFAOYSA-N	410.861	5.392	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)n(-c2ccccc2)c1C	611466573	AUPATSMLFVZBOL-UHFFFAOYSA-N	424.460	5.063	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OC(F)(F)F)cc1	612282118	FYUFULFYIWLLGB-UHFFFAOYSA-N	404.841	5.198	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cnn1-c1cccc(C(F)(F)F)c1	613292181	BOZCCSXRITZYEH-GOSISDBHSA-N	420.394	5.238	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c3c2CCC3)cc1	613391794	BTUULLIEFLQWJV-HXUWFJFHSA-N	424.529	5.283	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nnc1-c1ccc(C(C)(C)C)cc1	613933434	QDKVPTGJTDOTET-AWEZNQCLSA-N	409.559	5.542	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(C)c1	617936687	VQGUNJZLGKZKSR-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Br)cc2C(F)(F)F)cc1Cl	619748548	NVAKQRKMELBNBA-UHFFFAOYSA-N	403.629	5.283	30	20	HKED	
CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	673935772	SCIXLPACKRAFBO-OWTLIXCDSA-N	415.349	5.009	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	726460495	HGABIVMHSMFWRU-UHFFFAOYSA-N	417.534	5.733	30	20	HKED	
Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(COc2ccc(C#N)cc2)o1	728109637	BWDWMQGNUBOGSP-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
O=C1/C(=C\c2csc(COc3ccc(Cl)cc3)n2)COc2ccc(F)cc21	731565392	NMYIRWKVQXRYCD-GHXNOFRVSA-N	401.846	5.173	30	20	HKED	
CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	732962565	IIKGUUZMPQLNBD-VHRAYMLOSA-N	409.533	5.728	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)c1	733800804	GGHSQIVOQKLIBG-KDOFPFPSSA-N	420.340	5.105	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(Br)c1	734082952	JPGYHEUCQOHZNI-YIEVGGLXSA-N	424.323	5.166	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(SC3CCCC3)cc2)cs1)C1CC1	734307105	VHQNYAZYSNETCK-JYRVWZFOSA-N	412.580	5.589	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)C1CCOCC1	734649800	LNVHXYWRCFIGGS-VGSWGCGISA-N	409.555	5.228	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C)c1ccncc1	734667965	VJXOVBJXHACHKQ-BEFAXECRSA-N	410.518	5.330	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	739143321	JAQKDGHHQVRZBL-PXAZEXFGSA-N	408.807	5.200	30	20	HKED	
CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1c(F)cccc1N1CCOCC1	741162962	GCCKTSGJYOOCTA-UHFFFAOYSA-N	412.896	5.008	30	20	HKED	
CCCCc1oc2ccccc2c1CNc1ccc(N2CCC(O)CC2)c(C#N)c1	742385979	RUWFEVPQOPHVEO-UHFFFAOYSA-N	403.526	5.220	30	20	HKED	
C[C@@H]1CC[C@@H](CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)O1	744034318	AIAUTCCMOSQSPN-OSAQELSMSA-N	409.338	5.641	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc(-c2ccncc2)cs1	744064372	UTKBQXXONZUAKD-YESZJQIVSA-N	414.317	5.492	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2coc3ccccc23)cs1	747705411	NUQIIEQXFGGBCS-FMIVXFBMSA-N	402.475	5.778	30	20	HKED	
C/C(=C\c1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	750683533	GXHBRUBSRGVQKC-QGUORLBXSA-N	414.436	5.369	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C2SCCCS2)cc1	752038655	JKPIAWSCDDGCOK-RTWAWAEBSA-N	408.592	5.467	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(OC)cc1	752482801	JSHGYNZIHVVTBV-HRAATJIYSA-N	420.534	5.587	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1	753322830	YAEYTBDBNMTSTE-LJQANCHMSA-N	411.550	5.055	30	20	HKED	
C#CCOCCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	756489408	VHIBUZOJGBCVRQ-UHFFFAOYSA-N	405.306	5.308	30	20	HKED	
Fc1ccc(C=Nn2c(S)nnc2CSc2ccccc2)c(Cl)c1Cl	761826794	HXGIVOZFJXQQSM-UHFFFAOYSA-N	413.330	5.187	30	20	HKED	
Cc1nc([C@H](C)OC(=O)[C@@H](C)Oc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	763896284	MIFKYVMZZJPIQR-LSDHHAIUSA-N	410.857	5.247	30	20	HKED	
N#C[C@H](C(=O)C1Cc2ccccc2C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	763942377	IYMNAYUBCCLWAE-QGZVFWFLSA-N	413.329	5.708	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	768401646	GBVXDSKAVULHBO-UCNQDCQHSA-N	411.590	5.016	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	775226520	FLXBHDRAYXPYOO-CYBMUJFWSA-N	423.271	5.814	30	20	HKED	
N#CCSc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1Cl	775241713	CJXINJLNMUBFRQ-UHFFFAOYSA-N	411.379	5.272	30	20	HKED	
CC(C)C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)cc1	775460499	KXSSSCZIPIPIDD-FPOVZHCZSA-N	418.928	5.254	30	20	HKED	
CC(C)[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(C(F)(F)F)c1	777118841	XMPKNBIYDNVMPK-JOCHJYFZSA-N	417.475	5.347	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N1CCCc2c(NC(=O)OC(C)(C)C)ccc(C)c21	777777770	DBBDKPLNSRWJSL-UHFFFAOYSA-N	405.498	5.115	30	20	HKED	
CCSc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccn1	779396225	DKUIICHPKNRZEN-OAQYLSRUSA-N	402.523	5.171	30	20	HKED	
CC1(C#N)CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1	781027643	CYWPDPLHHOILBN-UHFFFAOYSA-N	408.501	5.699	30	20	HKED	
CC(C)N1C/C(=C\c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1	782302615	RETQDLKTODTKHX-BMNRKXRESA-N	419.528	5.543	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccccc2SC(C)(C)C)ccc1OC	788638005	FFGLCPFIVMPBGG-MJGOQNOKSA-N	412.599	6.118	30	20	HKED	
C=CC[C@@H](OC(=O)CCc1nc(-c2ccncc2)no1)c1ccc(Cl)c(Cl)c1	797554080	PFYNPLXLTUROHP-QGZVFWFLSA-N	418.280	5.232	30	20	HKED	
CC(C)c1nc(C(=O)OCC(C)(C)CCC#N)nn1-c1c(Cl)cccc1Cl	798876744	GWVMOJCRQOIBIC-UHFFFAOYSA-N	409.317	5.184	30	20	HKED	
CCCC1C/C(=C/c2cn(C)nc2C(F)F)C(=O)/C(=C/c2cn(C)nc2C(F)F)C1	812240069	JCSYFIWFZBSRSB-NBPWYHHBSA-N	424.442	5.275	30	20	HKED	
O=C(/C=C/c1cnn(Cc2ccccc2Cl)c1)c1sccc1Br	915114575	NROYKBCBSPITKH-AATRIKPKSA-N	407.720	5.305	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915352506	JMJXNDVEPBILOW-QHCPKHFHSA-N	423.516	6.315	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(C(F)(F)F)c2)cc1	915352527	LUYVALDQJFRCNT-NRFANRHFSA-N	409.411	5.683	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl	916928944	YYFXJRBOCXRZFK-CQSZACIVSA-N	409.700	5.235	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	916943527	ZIDBSCJQTXAWTG-CQSZACIVSA-N	402.064	5.261	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997870	ZDPSKUUYKSHQCT-SUMWQHHRSA-N	415.345	6.487	30	20	HKED	
O=C(NCc1ccco1)c1cccc(CON=Cc2cccc(Cl)c2Cl)c1	917622761	DVJRMJBHXVUXJD-UHFFFAOYSA-N	403.265	5.067	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccc(C(C)C)cc2[nH]1	918108820	DOBZDGZAORYZMT-UHFFFAOYSA-N	410.477	5.911	30	20	HKED	
O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc2c(c1)OCCO2	918712568	BMHYOYRSBFJASB-DAXSKMNVSA-N	413.882	5.043	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)cc3C)CCC2)cc1	1786366845	YVONIXUVOIQGLQ-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)c1C	10168100	XQZXBJQRJNRKCP-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccccc2CC)cc1	22731037	XYVLEFNRJSLFPG-UHFFFAOYSA-O	409.600	5.520	30	20	HKED	
CSc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1[N+](=O)[O-]	31776832	GQAVXXVKHUKKIK-UHFFFAOYSA-N	419.462	5.020	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(-c2cccc(F)c2)no1	33175886	PJPIAEIEQXVIAP-QWRGUYRKSA-N	424.316	5.120	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1Cl	63389311	HTOYGNACGHNKOT-UHFFFAOYSA-N	404.695	5.194	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCCSc3ccccc3)c2)cc1	71923608	KSLCQVGEUUEVRP-UHFFFAOYSA-N	417.534	5.245	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3c(Cl)cccc3Cl)s2)cc1	215653329	YXRQROYHZOYJKN-UHFFFAOYSA-N	421.334	5.261	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	303212701	RSDCPWORWRFNCM-QGZVFWFLSA-N	418.518	5.265	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)CCc2ncc(-c3ccccc3)o2)c1	303223842	WBYHUGCTKYUHGT-UHFFFAOYSA-N	406.485	5.489	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1Cc1ccccn1	303344741	MIEKWMKFXZATQJ-QGZVFWFLSA-N	404.539	5.195	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1c(F)ccc(Br)c1F	409950667	OICSJJYLFQCWSW-UHFFFAOYSA-N	408.286	5.760	30	20	HKED	
CC(C)c1nc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2s1	428919704	ZEMISARQSKNQEU-UHFFFAOYSA-N	415.522	5.449	30	20	HKED	
N#CCCC[C@H](NCc1cccc(Br)c1OC(F)F)c1ccccc1	433020318	CCQCPXOMLTWQKO-KRWDZBQOSA-N	409.274	5.575	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	438049275	MGARDPTWYQGNPL-KSSFIOAISA-N	403.935	5.243	30	20	HKED	
C=CCC[C@H](NC(=O)Cc1nc(-c2ccco2)oc1C)c1ccc(C(F)(F)F)cc1	441583611	XCJFPYKXIRLBDV-KRWDZBQOSA-N	418.415	5.628	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1ccccn1)C1CC1)c1ccc(C(F)(F)F)cc1	442294479	QWLNVPKFDOVFNT-HXUWFJFHSA-N	403.448	5.482	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)c2ccccc21	444034559	HUBAMXIIFRCGDG-UHFFFAOYSA-N	419.535	5.200	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)c2ccccc21	444806995	YEKDIBFEFNDRRE-UHFFFAOYSA-N	402.479	5.026	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C[C@@H]1OCCc2ccccc21	460149635	IKFRLOGRZMVKTG-DEOSSOPVSA-N	416.908	5.449	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C[C@H]1c1ccccc1F	464725975	PTJADKWPTAEJRR-WWMYMODYSA-N	411.546	5.242	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)cc1C	467705502	QCKBQPHVBYNPJM-HZCBDIJESA-N	412.537	5.065	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nnnn2C2CCCCC2)cc1	469078854	SJYPICWBXCRQPC-INIZCTEOSA-N	418.501	5.024	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](c2ccsc2)O1	470597178	CWMQUZCPLQTGLB-OPAMFIHVSA-N	419.506	5.406	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1)c1ccccc1	474546239	WQJRPNBYQARUEF-JOCHJYFZSA-N	402.542	5.399	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	475563051	PKXLEADKUPHUOB-IRLDBZIGSA-N	416.924	5.983	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F)c1ccccc1	475594231	FCBZCLHEPONRLL-RXVVDRJESA-N	400.444	5.847	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(Oc2nncc3ccccc23)cc1)c1ccccc1	476544686	IVQSXXXMKQLRAT-LJQANCHMSA-N	408.461	5.448	30	20	HKED	
CC(C)n1ncc2c(C(=O)N(CCC#N)CC(C)(C)C)cc(-c3ccccc3)nc21	477776961	LTXJKDCNPBJJRO-UHFFFAOYSA-N	403.530	5.081	30	20	HKED	
Cc1c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)sc2ccc(C#N)cc12	478319603	XGYNROSRCLRIKG-SFHVURJKSA-N	402.479	5.062	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(F)c4ccccc34)s2)cc1	479577117	JLBQZLHUIZNMIU-UHFFFAOYSA-N	420.494	5.247	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(Oc4ccc(Cl)cc4)c3)nc12	480934765	BMBIKWRVNMKIEF-SFHVURJKSA-N	402.841	5.202	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(C#N)cc3C)CC2)n1	481568981	JWHDMGZGDOALQK-UHFFFAOYSA-N	417.534	5.019	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481595887	JYJGTLWBTATWGH-MRXNPFEDSA-N	421.447	5.640	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccccc2Cl)c1C)c1nc2c(s1)CCCC2	481919664	HFXHJRGZDWFQPO-UHFFFAOYSA-N	412.946	5.002	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c1	483194670	ITGOBRXMFRLRMI-IBGZPJMESA-N	409.283	5.275	30	20	HKED	
C=C(C)[C@H](NC(=O)N(Cc1ccccc1)CC1CCOCC1)c1ccc(F)c(F)c1	483308152	YAVUEXHWXIVBEJ-QHCPKHFHSA-N	414.496	5.220	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	483333304	DBKRUNUNAJUDKU-FZKQIMNGSA-N	403.404	5.201	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c1	485625772	YYIBSSCCXRSNPR-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
C=CC[C@H](C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccccc1	489677314	IMEOPRXCRVPQKU-IBGZPJMESA-N	424.298	5.330	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1NC(=O)c1ccco1	490116272	CTZMDQMYQQTTNS-UHFFFAOYSA-N	421.456	5.631	30	20	HKED	
C=CCN(Cc1cccs1)[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1	499055016	LITKFDCTNCRBAI-QHCPKHFHSA-N	406.551	5.433	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	499416661	UQPDESSIAQVGMJ-INMHGKMJSA-N	424.125	5.240	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1ccc(Br)cc1	499439685	WRLWSIWVRUCONO-HKBOAZHASA-N	405.295	5.087	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccn2)c1	499890297	UDXSFULTOFGSKQ-WZONZLPQSA-N	416.550	5.695	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C#N)c1ccccc1Cl	499969877	RELLVJILCROZPF-MRXNPFEDSA-N	402.306	5.420	30	20	HKED	
CCOc1ccccc1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	502314192	PFKOCIOLVVSBMG-UHFFFAOYSA-N	401.466	5.374	30	20	HKED	
O=C(NC[C@H]1CCCC(F)(F)C1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	504803358	YELRYFUYZPWMHC-GXFFZTMASA-N	416.337	5.016	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cs2)c1	505922080	DQIIDVNJZDOQGK-GOSISDBHSA-N	415.440	5.061	30	20	HKED	
COCc1c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)sc2cccc(F)c12	505939009	SFDXXVRCLUNBLI-OAHLLOKOSA-N	422.403	5.200	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nc2c(Cl)cccc2n1CC(F)(F)F)c1ccccc1	511553539	RKXWKWMLALIJEM-CQSZACIVSA-N	420.822	5.278	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)c(F)c3)n2)cc1	511764361	DYXHLFDGGQUOJP-SFHVURJKSA-N	412.449	5.102	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	513852768	MJUUEXLKKYHRED-MRXNPFEDSA-N	403.482	5.069	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513855388	DTYGHNANVACHBG-MRXNPFEDSA-N	405.473	5.025	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N	513950770	WSKIMURRJBZKAT-OAHLLOKOSA-N	407.901	5.544	30	20	HKED	
CC(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	513960074	ZLIAFJZQJDXINJ-UHFFFAOYSA-N	401.441	5.134	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1	515802968	JGABTWXOFTUEJT-UHFFFAOYSA-N	409.436	5.050	30	20	HKED	
C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC2(CCO2)CC1	516195898	CKIXFNXVKKGEKU-UHFFFAOYSA-N	414.962	5.149	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1	517604920	YTTDPVTZYFCSBU-CPUCHLNUSA-N	424.125	5.240	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1	518756059	XALDCFYKQITRQY-JUXOCIIHSA-N	409.555	5.370	30	20	HKED	
N#Cc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1	531562752	NRXZFGHXHXMJOK-UHFFFAOYSA-N	410.399	5.206	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N(c2ccccn2)C2CCCC2)cc1Cl	536400049	KNGIBZOFHHFUDN-UHFFFAOYSA-N	417.896	5.988	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(F)cccc1Cl	537174433	LYMPSEDNIOUOIV-KGLIPLIRSA-N	405.926	5.020	30	20	HKED	
COc1cc([C@@H](C)NCC#Cc2ccccc2Cl)ccc1OCc1ccncc1	538156426	YVPABIBLMDVFSH-GOSISDBHSA-N	406.913	5.025	30	20	HKED	
C[C@@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	540592229	WMZIQGIOOWIVTH-WAIKUNEKSA-N	424.953	5.055	30	20	HKED	
C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCO1	540657198	CUWWZXNMDYHGKF-KGLIPLIRSA-N	404.388	5.123	30	20	HKED	
C[C@@H](NC(=O)c1ccc(-c2ccco2)nc1O)c1ccc(-c2cccc(C#N)c2)cc1	541134617	YGIFLZJRIIYGOR-MRXNPFEDSA-N	409.445	5.077	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	546004174	MXZIHQUMXGHMCV-NRFANRHFSA-N	410.445	5.317	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@@H](CCCC#N)c2ccccc2)CCC3)cc1	551208586	OBOUQIDXESFGQT-VXKWHMMOSA-N	417.578	6.221	30	20	HKED	
N#CCCC[C@@H](NCc1cc(Br)cc(Br)c1)c1ccccc1	556907110	HJEZZOQNCWRVNP-GOSISDBHSA-N	422.164	5.736	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2C(C)C)cc1	560667888	VZOZFMUMQOZUMM-UHFFFAOYSA-N	404.489	5.231	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1-c1ccccn1	562351861	GIJFWGFDUYLALZ-UHFFFAOYSA-N	409.518	5.520	30	20	HKED	
FC(F)(F)c1cc(-c2noc(CC3(C(F)(F)F)CC3)n2)cc(C(F)(F)F)c1	564220054	CDCJURDDGVQAKU-UHFFFAOYSA-N	404.232	5.659	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cc(C#N)ccc2NC2CC2)cc1	566025876	NYZZBECGRFLXIB-UHFFFAOYSA-N	402.523	5.054	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CNc2ccc(-c3ccccn3)cc2)ccc1Cl	566534794	MFFGDRTYGCYNQH-UHFFFAOYSA-N	404.901	5.069	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1cccc(C)c1C	569276170	UCFMDLTYAVTMLG-OAQYLSRUSA-N	418.541	5.107	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n1	571849360	OJUSIKOZZCZCAD-KRWDZBQOSA-N	407.514	5.209	30	20	HKED	
N#Cc1ccc(OC2CCC(NC(=O)C3(Cc4cccs4)CCCCC3)CC2)nc1	580983766	UHDQGLMKAYSQPF-UHFFFAOYSA-N	423.582	5.014	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	600861522	XTTKVWVPCMEEKW-UHFFFAOYSA-N	419.403	5.040	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1ccc2ccccc2n1	608552849	VLVCOROLBYZLNK-GOSISDBHSA-N	402.375	5.809	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1	609079374	ZVAYNCVIRNJHSR-SFHVURJKSA-N	410.477	5.200	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)o1	609187665	SJYLATNERAVHHM-NRFANRHFSA-N	418.468	5.107	30	20	HKED	
CN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1cccc(C#N)c1	609298274	QKBVXEKDIASGTQ-UHFFFAOYSA-N	402.397	5.462	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccccc1SCCC#N	609375393	NMOVWZHIRNMMNT-UHFFFAOYSA-N	411.914	5.397	30	20	HKED	
N#C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1Br	609593883	LSGYWWOMKSMWMZ-QFIPXVFZSA-N	419.322	5.352	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)cc1	609643018	YPUVYYGISSTUMS-UHFFFAOYSA-N	404.469	6.057	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CSC2CCCC2)c1	610143754	LPGSUNVRGRQQJJ-UHFFFAOYSA-N	405.567	5.954	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@@H](C)c3cccc(C#N)c3)cc(-c3ccccc3)nc21	610360005	PZVUBOUUDBGPNV-KRWDZBQOSA-N	409.493	5.042	30	20	HKED	
N#Cc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12	610783769	LEXHIHRRNBZXAS-UHFFFAOYSA-N	401.416	5.556	30	20	HKED	
Cn1ccnc1Sc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	611092975	POOWEOCBCHGGEN-UHFFFAOYSA-N	403.294	5.002	30	20	HKED	
CC(C)(CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccncc1	611260027	LGCXFBQIVIAWLQ-UHFFFAOYSA-N	405.885	5.107	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1ccc(C#N)cc1Br	612504763	QTBTZXBHRSPAAF-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1C	675776532	VIVXUGRFDDZMRU-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726073825	HXNPYGOVKCMOCV-RPBOFIJWSA-N	411.505	5.120	30	20	HKED	
CCC(CC)n1c(COc2ccccc2Cl)nn(CN(C)[C@H](C)CC#N)c1=S	728904080	KXVILNNTONWTMT-OAHLLOKOSA-N	421.998	5.199	30	20	HKED	
CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	729035550	GRILADWJFLONFY-QHCPKHFHSA-N	401.485	5.924	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)NCc1cccc(C(F)(F)F)c1	730954535	BTBNSUIJOLYRRC-ZDUSSCGKSA-N	409.502	5.444	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cccc(OCc3ccccc3Cl)c2)c1	733800036	BYGGHVHYRXGCHT-QFIPXVFZSA-N	420.940	5.890	30	20	HKED	
C=CC[C@H](NC(=O)N(CCC)[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccncc1	734680788	UWQCCVXZNKIXIV-YWZLYKJASA-N	406.357	6.188	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1ccc(C(=O)Nc2ccccc2)cc1	735318706	OSYYZDSQWSITGJ-UHFFFAOYSA-N	422.937	5.928	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=S)Nc3ccc(C#N)c(Cl)c3)c2)s1	739438392	WFXWGBMVPBHMDH-UHFFFAOYSA-N	408.939	5.298	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)cc2-n2cccc2)c1	740454896	VMFDAOWXUHVIFF-GOSISDBHSA-N	408.889	5.133	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C\c3cnc4ccc(Br)cn34)oc12	740765012	NLWUBSBIKWBUDS-FPLPWBNLSA-N	411.255	5.138	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1C(F)(F)F	741924391	FNZCLAHZJDXZOS-AYYGCFCKSA-N	404.457	5.999	30	20	HKED	
C=CCc1cc(CNCc2cc(Cl)ccc2Br)cc(OC)c1OC	742709460	GSMLSXVJMHLOCE-UHFFFAOYSA-N	410.739	5.138	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1	743044701	PAPMVZQHVBCUOM-LBPRGKRZSA-N	419.865	5.290	30	20	HKED	
CCCOc1ccc(C=NO[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC	747827458	NWXCFDYKKNRCDZ-AWEZNQCLSA-N	415.877	5.299	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	750591323	XZWQCBUMTZRJOB-OAHLLOKOSA-N	414.402	5.766	30	20	HKED	
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	755611099	IOSMQNQSIDTVKT-GFBZKKKVSA-N	423.881	5.651	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2O)cs1	757474268	ADCWFJHXNRQIRQ-WEVVVXLNSA-N	416.861	5.222	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cnc(-c3ccc(Br)cc3)s2)s1	762438565	PCCPXMKOFSYSSK-FNORWQNLSA-N	401.310	5.402	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1=S	765046749	GZDJSNLFLBTMRY-MOPGFXCFSA-N	421.595	5.058	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NCc1ccc(O[C@@H](C)C#N)cc1	766469497	RZPMIWWXLORXCM-KRWDZBQOSA-N	419.912	5.804	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)OCC2CCC(C(F)(F)F)CC2)c1C(F)F	770403696	GQTCSZLUBISZEK-UHFFFAOYSA-N	422.316	5.385	30	20	HKED	
N#CCCCOc1cccc(/C=C\C(=O)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)c1	771098265	MUUXMEVVEIDNFX-DMGQTMSCSA-N	423.484	5.352	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1	772607024	MBECCKNKHKGLNO-HSZRJFAPSA-N	420.896	5.047	30	20	HKED	
O=C(/C=C/c1cccc(Br)n1)c1ccc(Br)cc1Cl	777921253	UYYJLTBUNRQFJO-FNORWQNLSA-N	401.485	5.156	30	20	HKED	
C[C@H](Nc1ccccc1O[C@H](C)C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	779713136	PDFLIPPWTAXEMR-NEPJUHHUSA-N	411.811	5.089	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)OCc2nnc(-c3ccco3)o2)cc1Cl	784425539	GGCBBOUYDLTMKH-UHFFFAOYSA-N	421.796	5.004	30	20	HKED	
CCc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1CC	784949751	IWPMFWJXDDAJTN-XMMPIXPASA-N	411.505	5.044	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c[nH]c2ccccc12	786311860	NQBXPHADSQEQSA-KDOFPFPSSA-N	419.937	6.315	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3cc(C#N)ccc3Cl)ccc21	796162481	KDBUFTUWXWVLPG-UHFFFAOYSA-N	411.889	5.152	30	20	HKED	
C[C@@H](c1ccccc1)n1c(Sc2nc(Cl)c(C#N)s2)nnc1-c1ccccc1	804359557	WBJNCUKYPVOZSN-ZDUSSCGKSA-N	423.954	5.687	30	20	HKED	
Cc1nn(C)c2sc(C(=O)/C=C\c3nc4ccc(Br)cc4s3)cc12	806577478	SDCXJNWFIFJSMX-WAYWQWQTSA-N	418.341	5.212	30	20	HKED	
COc1cc(/C=C\C(=O)c2c(F)cccc2Cl)cc(OC)c1OCC(F)F	809159931	ZJPVNCWXLMKTIN-SREVYHEPSA-N	400.780	5.036	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	809755319	ITYFCJRJYPHXPD-NFOQDIRWSA-N	403.353	5.411	30	20	HKED	
COc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1OCC(F)(F)F	810133716	OPVCDGQRMHVVSR-UHFFFAOYSA-N	404.310	5.139	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)o1	815697997	UXCJOBJUMXFTEY-UHFFFAOYSA-N	402.429	5.449	30	20	HKED	
N#CCCCCOC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	914623981	WYMNOXFNNMHDQB-SAPNQHFASA-N	421.478	5.372	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2c[nH]c3ccccc23)cs1)c1ccc(F)cc1F	915271728	XYRCLFNKRLCVLQ-CLFYSBASSA-N	423.444	5.483	30	20	HKED	
CC(C)[C@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1Cl	915383235	SXLUVJLWEUJMOP-FQEVSTJZSA-N	419.308	5.004	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3s2)c1	916846028	DSRBFWKPHKEXFL-KRWDZBQOSA-N	418.547	5.067	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(F)c2c1C	916903943	UODLOOKLKHVINA-INIZCTEOSA-N	408.498	5.435	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCCCOCc2ccccc2)cc1	919902658	XGFAWSKIDHRFJT-UHFFFAOYSA-N	401.466	5.079	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C	920105938	NWRDINIAVCGNLQ-WZONZLPQSA-N	423.516	5.709	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806405	KTQMFKNKADZQQY-NEPJUHHUSA-N	418.852	5.385	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1	1821922761	ACKUSKUZAHNCPI-YLJYHZDGSA-N	414.594	5.221	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1	4285866	HSYBZJYMCFRBIJ-QGZVFWFLSA-N	414.534	5.404	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)s1	14282574	CTOBYEOHSYRDEK-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(C(C)C)cc1	22728714	QUPKYEJRJPPKSZ-UHFFFAOYSA-O	423.627	6.081	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)cc2C)cc1	22729551	RCMMPFPHKZCXGC-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1	25983514	XHODBKHUGZCORK-JTQLQIEISA-N	406.845	5.076	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccc(COc3cccc(F)c3)c2)cc1	303572172	PCMADIVSETWVGO-UHFFFAOYSA-N	418.468	5.364	30	20	HKED	
C=CCC[C@H](C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)c1ccccc1	427003975	CCFRECUDCSKCNG-QFIPXVFZSA-N	417.578	5.661	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(C(F)(F)F)ccc1Br	432640527	AYARZOGUZRHXHI-UHFFFAOYSA-N	414.225	5.148	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)n1	432837587	UXKXTTCKFZVTNL-FQEVSTJZSA-N	403.486	5.417	30	20	HKED	
CC1(C)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCS1	433244822	VTHXPWLBRKVJMK-LJQANCHMSA-N	413.974	5.745	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1	433732053	CQKOIKNWGAEBAZ-UHFFFAOYSA-N	422.435	5.466	30	20	HKED	
CC(=O)Nc1ccccc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	435565047	JGOTVZTYJKGCLE-NRFANRHFSA-N	417.896	5.135	30	20	HKED	
CC1CCN(c2cccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)CC1	438297259	HABKDMIJCPFSJQ-DNQXCXABSA-N	402.542	5.227	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1	439314739	NWECXKYXACZHNZ-GOSISDBHSA-N	416.447	5.472	30	20	HKED	
Cc1cn2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)sc2n1	440711414	DXYPMAOKGJQENX-KRWDZBQOSA-N	406.898	5.265	30	20	HKED	
C=CCC[C@@H](NC(=O)N(CC)[C@H](C)c1cccnc1)c1ccc(C(F)(F)F)cc1	441531240	BQSUJAZKHDFYQH-OXQOHEQNSA-N	405.464	5.900	30	20	HKED	
C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC(F)(F)F)CC1	460779307	CKLUTWJVDPCTSC-UHFFFAOYSA-N	415.463	5.238	30	20	HKED	
CC(C)(C#N)CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1	463031855	HQUHYGFKVJVHCA-UHFFFAOYSA-N	408.571	5.916	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)OCC	463538219	AQIPXPKJFRDFRF-LJQANCHMSA-N	404.869	5.041	30	20	HKED	
CC(C)n1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	464277931	XFVQYTQKRVGPDS-UHFFFAOYSA-N	414.387	5.399	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F	464829600	MJPPOVXGYDKLLZ-QFBILLFUSA-N	421.850	5.069	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1c(C)nn(C)c1C	466282626	GLSDXMJOYNRYFB-OAQYLSRUSA-N	417.513	5.282	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(COC(C)(C)C)on1	472513119	FKKWNCWACXLOPR-UHFFFAOYSA-N	421.472	5.156	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1	473088172	LJMZGMGUEZRKHI-BJKOFHAPSA-N	418.537	5.127	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1	476770492	UYSNRMPHSJSCSX-UHFFFAOYSA-N	401.491	5.287	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1	479498248	BUVHXRUQMPEHCR-UHFFFAOYSA-N	413.502	5.310	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1ccccc1[N+](=O)[O-]	481341189	PEYWDLUORDIBKS-INIZCTEOSA-N	410.499	5.113	30	20	HKED	
Cc1nnc(-c2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1	481507724	GSTVFNXMYYQYJE-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1	483214085	CZRQZLWEHGCRPP-JOCHJYFZSA-N	405.482	5.748	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1	485728645	AKINVLAYWDJLEL-UHFFFAOYSA-N	422.529	5.341	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccccc1	487457087	XKIAAJXIDJALFX-LJQANCHMSA-N	418.518	5.351	30	20	HKED	
CC(C)(C)n1ncc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1-c1ccccc1	489553277	SZKNVONMMIBJCW-UHFFFAOYSA-N	404.539	5.369	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccsc4)s3)n2)cc1	492120267	BJXIHHYWDMSFKP-OAHLLOKOSA-N	418.528	5.357	30	20	HKED	
Cc1cccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccccn2)c1	499023620	QJQLCUBYZFKCNY-VWLOTQADSA-N	412.537	5.219	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1ccc(Cl)cc1Cl	501016111	DMRUWUMQTNMRRU-UHFFFAOYSA-N	401.249	5.070	30	20	HKED	
COCc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	502464556	BBMHRFNNPWERGK-UHFFFAOYSA-N	405.429	5.067	30	20	HKED	
C[C@@H](Sc1nnnn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	504549212	UFBYHVRUNUTCAV-ZCFIWIBFSA-N	424.292	5.126	30	20	HKED	
COc1ccc(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	505620210	GMPXTKFLCUSTBF-UHFFFAOYSA-N	420.490	5.099	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510678540	FRQRBIHNFCZDJS-UHFFFAOYSA-N	413.477	5.579	30	20	HKED	
COc1cc(F)c([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	512559653	MLDITVOMHNSDBX-KBPBESRZSA-N	417.506	5.120	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(s3)CCCCCC4)n2)cc1	516714245	WYZOMDHIAAGZFZ-SFHVURJKSA-N	417.559	5.892	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	517301080	CBGZNWJAIIPELT-JOCHJYFZSA-N	424.472	5.707	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2)cc1	517652926	HTCVWOKOZHJYTG-UHFFFAOYSA-N	408.461	5.042	30	20	HKED	
CC(C)Cn1ncc2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cnc21	518232288	VVKVGPBQBQTCCI-UHFFFAOYSA-N	411.465	5.004	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCNc1ccccc1	518295502	PYZOGMNTNQQPJG-UHFFFAOYSA-N	400.482	5.283	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2s1	518587955	MIHJRSFVYWSUNM-LBPRGKRZSA-N	413.289	5.279	30	20	HKED	
N#C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1c(Cl)cccc1Cl	522205782	MEZITYHRRMZFGD-AWEZNQCLSA-N	424.740	5.570	30	20	HKED	
CC(=O)c1csc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	524932447	YQPNVKRMHXORNE-CYBMUJFWSA-N	421.330	5.871	30	20	HKED	
N#Cc1cccc(CC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1	531390354	LYJWDKDCFBXIER-OAQYLSRUSA-N	413.908	5.184	30	20	HKED	
Cc1nc(N[C@H](CCC#N)c2ccccc2)cc(N[C@H](CCC#N)c2ccccc2)n1	533101582	KHBYYSPKEZBGBM-DHIUTWEWSA-N	410.525	5.699	30	20	HKED	
C=CCC[C@@H](NCc1csc(-c2ccccn2)n1)c1ccc(C(F)(F)F)cc1	533391832	XXKWBTFOAZOJTQ-GOSISDBHSA-N	403.473	6.021	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1	533510684	ZTQCZIWJWRPCOS-YADARESESA-N	414.509	5.066	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc(F)cc2F)CC1	534886109	BMUAULBLRBYHLS-AWEZNQCLSA-N	401.482	5.070	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@@H](C2CCOCC2)C1)c1ccc(C(F)(F)F)cc1	535878829	ZDACGTVFBYDEHG-UYAOXDASSA-N	410.480	5.171	30	20	HKED	
N#C[C@@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nc(-c2ccccc2)cs1	536253325	RNKWWMNFZREUCN-INIZCTEOSA-N	402.504	5.179	30	20	HKED	
CCOc1ccc(-c2nc(NC(=O)c3ccc(C4(C#N)CC4)cc3)sc2C)cc1	537392336	JBRHECGJPMQEPC-UHFFFAOYSA-N	403.507	5.325	30	20	HKED	
N#CC1(CCCSc2nc3ccccc3c(=O)n2C2CCCCC2)CCOCC1	537467809	UJCLDGPTMTZESC-UHFFFAOYSA-N	411.571	5.094	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	539167282	RYOBEMDMVCOJCT-SFHVURJKSA-N	407.823	5.181	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccccc2C(C)(C)C#N)c2ccccc2)cc1OC	539251966	GUIOTSYGEUXKGM-XMMPIXPASA-N	414.549	5.579	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@@H](C)C1	540359262	GXEYKDSQYAAQRD-QATBIIFWSA-N	400.526	5.574	30	20	HKED	
CC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	541203547	UGIYSHFISGJSKV-MRXNPFEDSA-N	415.301	5.810	30	20	HKED	
O=C(Cc1ccco1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543085758	ZLFIJSSDKGIYST-ZDUSSCGKSA-N	419.243	5.280	30	20	HKED	
COc1ccc(C2(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCC2)cc1	543304875	QVTWHBLKLXBVTQ-KRWDZBQOSA-N	409.555	5.190	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543942283	CMVFCYNWVCYSTK-RBUKOAKNSA-N	413.521	5.264	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1c1ccnn1C)c1ccc(C(F)(F)F)cc1	543999202	XQUHIFUQKUIVTI-UYAOXDASSA-N	420.479	5.383	30	20	HKED	
CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	559492312	SERTTWBFCDAXOU-IBGZPJMESA-N	403.448	5.236	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)c1nnc(CSc2ccccc2OC)n1C	569626573	QDZKAOPVSBRXPI-UHFFFAOYSA-N	420.991	5.024	30	20	HKED	
N#Cc1ccc(C(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1Cl	572315672	ULYUNAPQQMCHPM-UHFFFAOYSA-N	414.317	5.187	30	20	HKED	
COc1ccc(CNc2cnn(-c3ccc(Cl)cc3)c2C)cc1OCCCC#N	588933936	VNQBCYCDJNKKAP-UHFFFAOYSA-N	410.905	5.137	30	20	HKED	
Cc1ccnc2sc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c(C)c12	603622877	KLZLYDQNVRAAPV-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603766275	PWTBDWYHOAGQCH-GOSISDBHSA-N	409.942	6.136	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)C12CC3CC(CC(C3)C1)C2	603945844	SOGNLMXPOCCFJK-UHFFFAOYSA-N	404.510	5.161	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)Nc3cccc(OCCCC#N)c3)cs2)cc1	603972082	NZENHXLKYWORHX-UHFFFAOYSA-N	407.495	5.144	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1	603996847	ZNKBOXQBHCXQMS-KDOFPFPSSA-N	407.539	5.126	30	20	HKED	
CC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	604027124	HIIKYNGRKYFRLH-UHFFFAOYSA-N	419.868	5.144	30	20	HKED	
COc1ccc(CNCC2(c3c(F)cccc3F)CCCC2)cc1OCCCC#N	604536839	QWIFCZMOZJWBTD-UHFFFAOYSA-N	414.496	5.258	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1	606348793	WPZJXVRFKJZBGM-AWEZNQCLSA-N	405.420	5.145	30	20	HKED	
C=CCN(C(=O)Cc1cc(C)ccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609055090	PAYHNUZBEKWQFX-UHFFFAOYSA-N	407.495	5.097	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209213	WCDOHAKESCPTHO-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(Br)cc1F	609376688	GZQFTYHOFAVYCN-CYBMUJFWSA-N	421.335	5.411	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(-c2ccccc2)n1	609389676	XWMWATQCIGDFGL-KRWDZBQOSA-N	422.579	5.138	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)C1CCC(C)CC1	609576584	RPHVMGOYQSUTJT-CNPZASKASA-N	419.569	5.201	30	20	HKED	
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	610019122	DBUKGCIOBNXHAQ-YDHSSHFGSA-N	407.583	6.252	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	610170880	CYFMPAOSNBTWRR-UHFFFAOYSA-N	423.925	5.787	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1Cl	610357266	JQIZWYZHZSFPSO-HJPURHCSSA-N	419.912	5.370	30	20	HKED	
C[C@@H](NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1cccc(C#N)c1	610361188	UEDPLFJKUFCFNV-QGZVFWFLSA-N	411.480	5.656	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl	610792652	TWGMIDLKCZFKEW-KDOFPFPSSA-N	403.935	5.101	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC(C)CC1	611393476	KUIZPVUQTUOSEQ-HOOCXSQJSA-N	400.526	5.574	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)c1	611802991	FMDNHUSYMKQVDB-SFHVURJKSA-N	417.896	5.104	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)NC(C)(C)CC)cc2)cc1OC	630067563	IGXWQJNZTFJGBM-UHFFFAOYSA-N	416.949	5.444	30	20	HKED	
COc1cc(Cl)cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	645955526	BIEHZZYCKFFNMO-CYBMUJFWSA-N	410.804	5.467	30	20	HKED	
CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674501508	OOCMSLWEBOLULK-RWMBFGLXSA-N	421.303	5.398	30	20	HKED	
Cc1ccccc1-n1nc(C)c(CN(C)C(=S)Nc2ccc(C#N)c(Cl)c2)c1C	726474787	JSVFASVKJMVLIL-UHFFFAOYSA-N	423.973	5.151	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(COCCc3ccccc3)c2)cc1Cl	726483063	QQHWVZYQPIDPAP-UHFFFAOYSA-N	421.953	5.780	30	20	HKED	
CC(C)c1ccc(-c2noc(CON=Cc3ccc(Br)cc3)n2)cc1	727483301	CGVDSPYVFLPHME-UHFFFAOYSA-N	400.276	5.173	30	20	HKED	
CCOc1c(OC)cc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)cc1OC	727781599	RCPSUHTZGFPEAK-QXMHVHEDSA-N	409.507	5.431	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2csc(Cc3ccccc3)n2)c1	728182584	ZJCLOQCAZBBNRA-UHFFFAOYSA-N	412.514	5.084	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c1	728479538	ZFIYEXUDCJRWIA-UHFFFAOYSA-N	400.453	5.034	30	20	HKED	
CC(C)CN(CCC#N)C(=O)c1ccc(Oc2cccc(Br)c2)cc1	732755820	FZZUDDSWWMRFEE-UHFFFAOYSA-N	401.304	5.253	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)c1	733800805	GGHSQIVOQKLIBG-KSSFIOAISA-N	420.340	5.105	30	20	HKED	
CCCCCCCCC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	735015170	VZPLFKZPWGQAQX-UHFFFAOYSA-N	422.356	6.330	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2s1	735396071	LOISPFZUYSXBNI-ZBFHGGJFSA-N	413.340	5.504	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)c(Cl)c1	740775636	VMTTYZLYTXELRD-UHFFFAOYSA-N	417.918	5.361	30	20	HKED	
CSc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1	744762236	ZJGDUZMIKHDJCG-UHFFFAOYSA-N	412.584	5.182	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Cl)c(Cl)c1	747106415	SCUXGYIQTNJDGQ-PWSUYJOCSA-N	408.235	5.718	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1	747204809	MZARIOYNHQLMRL-JTQLQIEISA-N	419.161	5.112	30	20	HKED	
Cc1ccsc1CCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	748833500	FNOMCFAERQVWEB-IBGZPJMESA-N	418.518	5.519	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)s1	752660415	OSJCCTCWWICZGO-AWEZNQCLSA-N	423.307	5.031	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1	755285110	FXAFWINNLZJHRJ-UHFFFAOYSA-N	415.559	5.035	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)c2)o1	758975324	NVGNHGYNHIKSGH-UHFFFAOYSA-N	423.472	5.102	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(F)cc2F)CCCC1)c1nc2ccccc2n1C(F)F	760971042	XKFCNSIODMUXFZ-CQSZACIVSA-N	415.390	5.398	30	20	HKED	
N#C[C@H](C(=O)CSc1nc(-c2ccccc2)co1)c1nc(-c2ccccc2)cs1	767108672	VESPKGYLXLAIDM-QGZVFWFLSA-N	417.515	5.434	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1	778599974	UXCCERRNMWBCOR-HNNXBMFYSA-N	404.775	5.354	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)NCc2ccc(C#N)cn2)c2cccs2)cc1	780194516	KNQXCAXSDUPKRV-KSFYIVLOSA-N	404.539	5.117	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	780403264	RFMYUJYJLNCGRN-GOSISDBHSA-N	405.523	5.504	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1	782781077	SUSUOLWZDCBCIZ-UHFFFAOYSA-N	404.470	5.119	30	20	HKED	
COC(=O)Nc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1F	782974328	PFLKWFDWKVFWSO-UHFFFAOYSA-N	405.429	5.067	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc1OC	785694099	NZRVZOYLJSCFCG-FNORWQNLSA-N	409.448	5.045	30	20	HKED	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl	793122377	BCDFIPQPFCNJQN-JXFKEZNVSA-N	418.880	5.122	30	20	HKED	
Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](C)c3ccccc3-c3ccccc3)CC2)o1	793144123	XFNJFMTYLBHXRH-KRWDZBQOSA-N	415.493	5.043	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1=S	794666677	YOHMZZXRCYNWCP-WFASDCNBSA-N	416.900	5.151	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C)C[C@@H]2c2ccccc2)c1=S	795747274	JJMAFXQPOFWGAJ-GHTZIAJQSA-N	405.571	5.093	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(CC[C@@H](O)c4ccccc4)cc3)CC2)c1	797087408	HKZMLTAZRUJIGJ-XMMPIXPASA-N	414.480	5.034	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCc2ccc(Br)s2)s1	797566984	WXDZPXCMYDYICX-GFCCVEGCSA-N	411.390	5.464	30	20	HKED	
O=C1/C(=C\c2ccc(-c3ccccc3Br)cc2)CCc2nc(O)ccc21	800794911	UHGWQMCKWWELTA-SSZFMOIBSA-N	406.279	5.429	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C	802587579	AWFZIFVZHBEJRY-UHFFFAOYSA-N	417.966	5.041	30	20	HKED	
Cc1ccc2sc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2c1	811347622	XDWADSZQVRURJF-HNNXBMFYSA-N	424.547	5.257	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Br)c1	813060882	MTPGTVRTNGMYAN-RISCZKNCSA-N	418.241	5.174	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(C)nn(CC(C)C)c3C)n2)cc1	916973337	WLJSMILRNSDKJY-NRFANRHFSA-N	420.582	5.397	30	20	HKED	
Cc1cc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1C(C)C	917039593	APCBIKGOBDBDSQ-YJBOKZPZSA-N	411.452	5.507	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1-c1ccccn1	917045391	ZAVPDNHEKRUQCX-MRXNPFEDSA-N	406.898	5.242	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	917749221	ANPRHDIWZMWJEP-UKRRQHHQSA-N	421.349	5.250	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806446	LKXKADYYBQDMLD-AWEZNQCLSA-N	416.424	5.261	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(OC)ccc4Cl)CCC3)cc2)C1	1785809115	RMDONFMQOFPNAO-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1	1832607166	FETSGHGQRBWPJC-GCJKJVERSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(C)cc3)no2)nnc1-c1cccc(C)c1	10241059	ZGSFEJPOYQCSGD-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
C=CCn1c(SCC(=O)c2c(C)c(C)cc(C)c2C)nnc1-c1ccccc1OC	21276828	NWQZJNJTCUPOBX-UHFFFAOYSA-N	421.566	5.348	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	26143303	QEMYUUCXMKIZEJ-CYBMUJFWSA-N	421.488	5.525	30	20	HKED	
C[C@H](CCc1ccco1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161591	QWNIBVJPYVTQSC-GOSISDBHSA-N	403.482	5.067	30	20	HKED	
N#CCCCOc1cccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1	55876788	CJWAPGXXBIEPQO-UHFFFAOYSA-N	402.376	5.050	30	20	HKED	
C=CCN(C(=O)c1ccc2c(c1)CCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	58787393	IVWPQYTXNHUOFE-UHFFFAOYSA-N	405.479	5.040	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(-n3cccc3)cc2)cc1	108374433	VDBFKDPKNVLZPK-UHFFFAOYSA-N	421.500	5.304	30	20	HKED	
Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(OCc2ccccc2)c1	254699340	FJMIHJQVMYECOJ-UHFFFAOYSA-N	404.470	5.208	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	303129708	BRRYZDJWDFBGNT-IRXDYDNUSA-N	405.281	5.220	30	20	HKED	
CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	303209391	QKBRDZZVTZDXCF-UHFFFAOYSA-N	405.885	5.455	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1	303292384	BBGCBOPTDRIAPY-UHFFFAOYSA-N	405.523	5.007	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccccc1SCCC#N	303318321	SUKIOCWBFHBZFI-UHFFFAOYSA-N	419.344	5.494	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1NC(=O)Nc1ccccc1	430380827	YRSMSGSPKHHVGZ-UHFFFAOYSA-N	404.857	5.416	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c2c1	430597793	ATLUKADVLDDWRH-QGZVFWFLSA-N	405.523	5.365	30	20	HKED	
C[C@H]1CCCCN1Cc1ccccc1CNC(=O)N[C@@H](CCCC#N)c1ccccc1	431808462	BTVCQNFOLZLQOG-OFVILXPXSA-N	418.585	5.295	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	431966938	QHLVUTUGZFSHKI-OAQYLSRUSA-N	415.497	5.326	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	431975163	VYWKAEPARFYJAR-SMIHKQSGSA-N	405.542	5.197	30	20	HKED	
CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	433926327	KJSKTCIAIRHVKG-AZUAARDMSA-N	403.486	5.028	30	20	HKED	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3ncccc3OCCCC#N)c2c1	437559141	NVNVOZSMULSGKC-UHFFFAOYSA-N	400.482	5.059	30	20	HKED	
C[C@@H](SCc1ncnn1CCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	442562734	XKEWTTRYLDRUQC-SECBINFHSA-N	401.351	5.280	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc2ccccc2n1C(F)F	442685598	ZODSXYCUKCBVSN-GFCCVEGCSA-N	412.783	5.230	30	20	HKED	
COc1cccc(-c2nnc(S[C@@H](C)c3cccc(C#N)c3)n2Cc2ccco2)c1	442917127	FYKDMJMMUJPWCM-INIZCTEOSA-N	416.506	5.320	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	444738136	YIIWUCMMXSQANN-UHFFFAOYSA-N	403.463	5.487	30	20	HKED	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	445934620	MBTNLBNYCQJGRA-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)n1	446117793	JPJRMQYDUPOHIQ-QGZVFWFLSA-N	418.522	5.102	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)C[C@@H](Cc3ccccc3)c3ccccc3)CC2)cc1	460150716	MNCSAZWVMGXHPG-RUZDIDTESA-N	424.544	5.345	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	460172438	YCMTXWAHGFGLPM-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
C[C@@H](C(=O)Nc1nc(-c2ccccc2)c(Br)s1)c1cccc(C#N)c1	462259656	QZPCRGJKCGEHIE-GFCCVEGCSA-N	412.312	5.186	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccccc3NCc3ccc(Cl)cc3)CC2)c1	462837405	ZTUDJXDPYHJIMH-UHFFFAOYSA-N	401.897	5.494	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)c1ccc(Br)s1	463579866	ZXEGOPLQBRUDHK-CQSZACIVSA-N	405.361	5.171	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	463817433	WVWLIDBNMNAMFM-RXFWQSSRSA-N	411.549	5.818	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1nnc(-c2cc3ccccc3o2)s1)c1ccccc1	470524813	ACWZIPQCSWABAN-INIZCTEOSA-N	403.467	5.118	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	471206347	DUDXPWBEETYJCT-UHFFFAOYSA-N	424.438	5.714	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(N2CCCCC2)c2ncccc12)c1ccccc1	471400303	XGEMKVONVDAGIS-OAQYLSRUSA-N	413.525	5.392	30	20	HKED	
C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1(C)C	473622054	FYUPVXGVEKVMAD-DNVCBOLYSA-N	424.928	5.371	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(Br)cn1	475508021	HSLUIDSECCWKGS-INIZCTEOSA-N	422.326	5.146	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1	475574391	WFPDSQRAFNXKTQ-UHFFFAOYSA-N	422.504	5.482	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COC(C)(C)C)c1C	475969389	LZDXSZJYZPGISR-UHFFFAOYSA-N	411.502	5.438	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(C(F)F)c1	479597934	BITGKZMJNOOVAW-AWEZNQCLSA-N	406.523	5.748	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccncc3)cc2F)c1	481712787	NXGMJYYPAQKZEB-JOCHJYFZSA-N	416.456	5.040	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)o1	482482155	PTKACDJLJANSPS-UHFFFAOYSA-N	424.460	5.410	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C)c1ccc(F)c(F)c1	483309387	OMLZBRPDGJJRBY-FPOVZHCZSA-N	402.489	5.249	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C	484476291	VTRGBVQJWNZSGN-UHFFFAOYSA-N	423.586	5.594	30	20	HKED	
C[C@@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	488873278	IAHJFQRLNWBSCB-CYBMUJFWSA-N	418.950	5.227	30	20	HKED	
N#CCSCCCSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1	488873856	ILEWPZURQLKASB-UHFFFAOYSA-N	406.989	5.388	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)nnc1-c1ccncc1	489428884	CYDDDFIURACMKB-KRWDZBQOSA-N	406.555	5.403	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C(F)(F)F	489761697	BDIBIQVOCJUDLR-CRAIPNDOSA-N	407.823	5.662	30	20	HKED	
CO[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(O)cc1	494334250	URYCWWJRAZQDTP-IFMALSPDSA-N	406.869	5.027	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1	498842405	ZKUANHWHNUEWDI-IBGZPJMESA-N	424.614	5.353	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	502601597	HXLJJYBUAAOOSS-UHFFFAOYSA-N	403.438	5.020	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)c1	503272018	YJTKTPQUNWUYNY-NRFANRHFSA-N	424.541	5.288	30	20	HKED	
N#CCCCOc1cccc(CNc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1	507833614	KPMDJKVVNRVTDZ-UHFFFAOYSA-N	400.404	5.186	30	20	HKED	
C=C(C)CN(CC)C(=O)c1cccnc1SCc1ccc(Br)cc1	509698068	SPLGRYBYXBXMDZ-UHFFFAOYSA-N	405.361	5.175	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510855911	AZGMZPNKXJEJIS-UHFFFAOYSA-N	403.507	5.941	30	20	HKED	
N#CC[C@@H](CC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)c1ccccc1	512358550	SUANVLJLOAAGGV-UWJYYQICSA-N	404.407	5.190	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	513333973	SCPROECFVQODDW-IERDGZPVSA-N	402.523	5.221	30	20	HKED	
CC(C)(C)O[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1	513803038	YPCYVEURRGGMMI-HXUWFJFHSA-N	405.523	5.100	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	516761198	MVFIQRNNPUIRDH-INIZCTEOSA-N	419.447	5.182	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N(c1ccccc1)C1CCCCC1	520827514	IOBWKAVPJJRTEL-IBGZPJMESA-N	407.583	5.716	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc(C3CC3)nc21	520829612	HHCQGRYXCAAJQA-HNNXBMFYSA-N	419.554	5.394	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccnc1OC1CCCC1	520938433	ZEKDPHCHQIJJFG-MRXNPFEDSA-N	410.543	5.119	30	20	HKED	
CC(C)(C)C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(F)cc1	521522955	KWAYAVCKSJNZQQ-HSZRJFAPSA-N	423.532	5.428	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1	522896187	XCLPYLDXWTWKDB-UHFFFAOYSA-N	416.321	5.089	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Oc1ccncc1	523798105	CMGPFQZDLQTKGQ-KRWDZBQOSA-N	419.893	5.936	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc2ccsc2c1	525651868	YRLODGVMJHSAAB-UHFFFAOYSA-N	407.442	5.573	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1	532899392	XKWWVCWRXXEPCI-OXQOHEQNSA-N	413.974	5.367	30	20	HKED	
C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(-n2cncn2)cc1Cl	537012497	UEUCTTHDSSRFGA-KRWDZBQOSA-N	413.912	5.310	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541130457	GIFIZTDPERHEML-QZTJIDSGSA-N	414.480	5.451	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(Cl)c1	542838339	DGVRXFQXEDKCCO-CQSZACIVSA-N	419.737	5.238	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1	542971565	BURCFBXCCRJPOP-UHFFFAOYSA-N	403.294	5.025	30	20	HKED	
CCO[C@@H](C)c1nc(CC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	543893781	AOPKOTYSOOEFBM-IRXDYDNUSA-N	419.550	5.199	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1Cl	548282661	ULDCFAAGVCZNMS-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
N#Cc1cc([N+](=O)[O-])ccc1N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	553225495	VUUWCKADFGNJNS-IBGZPJMESA-N	405.376	5.065	30	20	HKED	
CC(C)c1ccc2occ(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	554006971	RPFFXAUGWRHNJD-IBGZPJMESA-N	411.486	6.041	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccc(C)c1	571723825	GTXXFHYIBKTWQU-VXNXHJTFSA-N	414.553	5.359	30	20	HKED	
CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H]1c1ccccc1	604363015	KCSRLFBTYGWCFS-HSZRJFAPSA-N	424.504	5.426	30	20	HKED	
CCc1nc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1	608840873	FEIWMCSBIJHPQF-UHFFFAOYSA-N	406.511	5.042	30	20	HKED	
CCC[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)c1cccc(C(F)(F)F)c1	608851316	MRZORQKIDSQRED-FQEVSTJZSA-N	420.479	5.023	30	20	HKED	
N#CCn1c(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc2ccccc21	609160837	HBKWMEBUARFOPK-VWLOTQADSA-N	405.457	5.430	30	20	HKED	
COc1ccccc1CC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	609402040	WNEXFNCXICRUFF-GOSISDBHSA-N	423.582	5.434	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)s1	609506004	HDBIWDCZNOQZHU-INIZCTEOSA-N	405.523	5.452	30	20	HKED	
CCn1c([C@@H](C)NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)nc2ccccc21	609988155	AITGRYHGCXYGCB-QGZVFWFLSA-N	409.493	5.162	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCOc2cccc3ccccc23)c1C	610053915	XXRMGLGNNTUPCP-UHFFFAOYSA-N	424.504	5.312	30	20	HKED	
N#Cc1ccc(NC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)cc1C#N	610231509	MZKHMGLYKMYTON-OAQYLSRUSA-N	403.894	5.555	30	20	HKED	
C[C@H](NC(=O)Nc1cc(Br)cc(C(F)(F)F)c1)c1cccc(C#N)c1	610331270	GBHXPXQHGASOFV-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2	610598304	HKYOZMVKWOFCCY-DHIUTWEWSA-N	424.548	5.188	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)c(Br)c1	611491643	PARKAMNMNPRINP-UHFFFAOYSA-N	417.357	5.268	30	20	HKED	
CC(C)OC1CCC(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	611849025	JRVAXLINZVQUFZ-BIOCXDLKSA-N	405.542	5.322	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2N(C)c2ccccc2)cc1	615370590	UOLSIKIVRVCPEQ-UHFFFAOYSA-N	400.482	5.014	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1c(C)cc(Br)cc1C	615508104	DOPUOSQQYJPDEH-UHFFFAOYSA-N	403.320	5.295	30	20	HKED	
O=C(c1sc2cc(F)ccc2c1Cl)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674445642	UJCOUEZPYDHECO-DTORHVGOSA-N	419.749	5.507	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c3c(C)noc3n2)cc1	679368588	NUHXHDIOVXRTQX-FQEVSTJZSA-N	418.456	5.545	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3C)n2)cc1	727626652	FANQOJSMXMPROD-FOIQADDNSA-N	417.534	5.593	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	727998167	ATBPYOPEPKYYNU-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
O=C(Nc1c(F)cccc1-n1cccn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	730195930	JSVMWPGXZZXXLP-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl	731061537	DQGGVHLWPWJECE-GFCCVEGCSA-N	423.321	5.041	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2)nc1	733636943	ZPVCUBARTJTFDK-UHFFFAOYSA-N	418.522	5.109	30	20	HKED	
N#C[C@H](C(=O)c1cccnc1SC(F)(F)F)c1nc2cc(Cl)ccc2s1	733681622	XMIUSULTTKGVAR-SNVBAGLBSA-N	413.833	5.447	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2OCc2ccccc2C)c1	733775024	NQXGXJFRSBHBOE-JOCHJYFZSA-N	414.505	5.185	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C)c2c(Cl)cccc2Cl)c1	733806875	OYAUVSGDGROJEX-GOEBONIOSA-N	420.340	5.277	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1	733807414	UPRJARGJANRVRG-YOEHRIQHSA-N	420.340	5.577	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc(-c2ccncc2)cs1	734081796	RRXVYIFMGCELDU-MHNQQFQPSA-N	415.518	5.416	30	20	HKED	
C=C(Cl)CNC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	736964187	IBCJMFRQBULYPS-UHFFFAOYSA-N	411.811	5.140	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740026908	DULOHCJZTTUCKO-UHFFFAOYSA-N	405.523	5.073	30	20	HKED	
CC(C)[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	740540043	XQMJYNPFTHLKGO-IRXDYDNUSA-N	410.489	5.779	30	20	HKED	
COc1ccccc1-c1ccc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc1	741469001	YKLAGBCZDFQOOX-CXUHLZMHSA-N	424.500	5.571	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(OC3CCOCC3)cc2)c1	741920376	SGOBJEKRWVCEKW-UHFFFAOYSA-N	417.530	5.134	30	20	HKED	
CCOc1c(OC)cc(/C=C2/C(=O)c3cccc(Br)c3[C@@H]2C)cc1OC	742435472	UICPWVVEXRGWME-KMHUVPDISA-N	417.299	5.248	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	742436685	MLFZQPOJLWYRSU-UNOMPAQXSA-N	412.876	5.676	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	742773385	RNACOBNYSRCTFX-UHFFFAOYSA-N	418.840	5.343	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c[nH]c12	744033089	MMCQVQDYRBXJAF-SFHVURJKSA-N	414.292	5.063	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1	757351531	NPRMCIBIIAUXEA-UHFFFAOYSA-N	409.348	5.098	30	20	HKED	
N#Cc1ccccc1Sc1ccc(-c2nc(-c3ccnc(-n4ccnc4)c3)no2)cc1	762055311	VTVBSHZPSFAAIK-UHFFFAOYSA-N	422.473	5.007	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2cc(C)ccc2C)ccc1OC	762296127	YCSYFXDCHVXSIQ-IRLDBZIGSA-N	421.541	5.040	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2nc(C)c3ccccc3n2)cc1OCC	774795087	RRFCTIXWIIPAIV-UHFFFAOYSA-N	413.905	5.330	30	20	HKED	
C#CCCCCCC(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1	779720212	IDOCVUKKGGWPMR-UHFFFAOYSA-N	414.299	5.191	30	20	HKED	
O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1sccc1SC(F)F	780306013	QUTUBGLMCDGMFD-NSHDSACASA-N	403.344	5.374	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1	780669523	HHBWNDQXLOEUKN-XOBRGWDASA-N	411.914	5.603	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1)c1ccccc1	787046952	UFBYAHNGAPMQSE-FUHWJXTLSA-N	423.925	5.053	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2nccc3ccccc23)n1	792099224	GWJUSLILUHNVJN-FQEVSTJZSA-N	415.543	5.782	30	20	HKED	
CN(C(=O)c1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1)C1CCCCC1	793134641	DGUQWMYVVHVCGY-FQEVSTJZSA-N	403.526	5.117	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1cccc(C(=O)c2ccccc2)c1	797568921	XXRVNAFMEDQUJW-UZLBHIALSA-N	416.546	5.652	30	20	HKED	
C[C@@H](N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccc(OCC#N)cc1	797588840	ZHTNHYIRBHIRAE-KBRIMQKVSA-N	403.295	5.087	30	20	HKED	
COc1ccccc1-n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C	798394449	IXYDSQMWPGSOMX-JOCHJYFZSA-N	422.488	5.097	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)ccc1OC(F)(F)F	799456416	VVHIAGLFIZVQEI-INIZCTEOSA-N	411.330	5.104	30	20	HKED	
C=CCC(F)(F)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	815312147	MKLDHBZQZIIGPZ-UHFFFAOYSA-N	408.470	5.008	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3[nH]c4ccccc4c3C#N)n2)c1	904635732	KKIJFKMHNBOYNS-UHFFFAOYSA-N	401.426	5.104	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1	915087637	WHVZLXGMWDEJQI-NRFANRHFSA-N	410.395	5.378	30	20	HKED	
COc1ccc(/C=C\C(=O)c2sccc2Br)cc1Br	915113437	PMWFJXOYCUJOCJ-RQOWECAXSA-N	402.107	5.178	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915350253	ONHBQAHMWJNMSV-FCHUYYIVSA-N	401.535	5.945	30	20	HKED	
Cc1cc(C)cc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	916025505	ADHWAZUJZDZEGS-UHFFFAOYSA-N	401.535	5.757	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)cc1	916138620	ZVYGIGSASVXGNH-YFHOEESVSA-N	410.926	5.196	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2s1	916847585	KIOCZSWFUDIZSY-PWSUYJOCSA-N	407.347	5.960	30	20	HKED	
CCOc1ccc(OC(C)(C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916974556	LSHLEAVDAPSLDI-HXUWFJFHSA-N	420.534	5.551	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3	920106583	TXEHYGUGWTVWGX-JLTOFOAXSA-N	409.489	5.288	30	20	HKED	
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1ccc(OCc2nccn2C)cc1	921270715	YPKAIQFLGUVLPI-VMPITWQZSA-N	417.292	5.211	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1	1786903826	GMSRBLGXCGPPHY-UHFFFAOYSA-N	408.542	5.339	30	20	HKED	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1	1790451802	QMNHTSNEPUTHJZ-UHFFFAOYSA-N	401.510	5.052	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/Sc1ccc(C)cc1)C2	1793053230	XEQLEGCFKKWOJD-KTGTYYRFSA-N	424.610	5.007	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824632826	XHFWJTZMLQJNRG-UXHICEINSA-N	424.576	5.056	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1	1831375156	NOOYAJOSOARZCW-YKSBVNFPSA-N	410.602	5.256	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1sc2cc(F)ccc2c1Cl	24506891	ODBRVEGTMADOBP-UHFFFAOYSA-N	411.807	5.494	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1	33167564	MDZPECFQIRJEDB-UHFFFAOYSA-N	409.942	5.370	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccccc2)cs1	41535156	PZZAHRBKCQZJSO-LJQANCHMSA-N	418.449	5.611	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)ccc1OCC(F)(F)F	56613181	GPKOVYMXXLBSHO-QGZVFWFLSA-N	407.367	5.007	30	20	HKED	
COc1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)cc1OCCCC#N	64614433	QPPLNLQIGQQLNG-GOSISDBHSA-N	402.947	5.358	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1	104796733	GEPILSXJWQMRJL-UHFFFAOYSA-N	414.317	5.851	30	20	HKED	
CCN(Cc1ccccc1C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	303234835	YZWMKTMTTAXUCX-UHFFFAOYSA-N	413.521	5.808	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	429720647	FLDHBQRXNZGUTG-QWRGUYRKSA-N	419.478	5.051	30	20	HKED	
COc1ccccc1[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccccc1Cl	430628907	PDYDRXOLJDMABJ-JOCHJYFZSA-N	422.937	5.484	30	20	HKED	
CC(C)n1c([C@H]2CCCN2C(=O)c2cccc(SCC#N)c2)nc2ccccc21	431324718	XUIIPOKNSSSEOH-OAQYLSRUSA-N	404.539	5.210	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(C(F)(F)F)c1	431736895	DDTNZOWCQNUGTM-UHFFFAOYSA-N	417.412	5.311	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(n2ccc(C)n2)CC1)c1ccc(C(F)(F)F)cc1	434290258	XWIUNBVHJPFGCI-HXUWFJFHSA-N	420.479	5.264	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2c(=O)o1	435673892	DBYJQVYIVZOEJD-UHFFFAOYSA-N	418.396	5.070	30	20	HKED	
CCc1ccc([C@@H](COC)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1	438064935	VTRAZOMSCPSLIX-OAQYLSRUSA-N	405.454	5.015	30	20	HKED	
CC1CCC(N(C[C@H]2CCCO2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	438070226	WMKKOAXYWVNLPX-ZUPWUQBJSA-N	415.603	5.530	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCc2c([nH]c3c(F)cccc23)C1	439503707	SDTUEDIRHKHIGN-HNNXBMFYSA-N	422.529	5.539	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccccc1	440252333	GAYCBQMFFGDFAO-NQIIRXRSSA-N	407.564	5.512	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)o1	440592415	BJAVKUZVYJDYML-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc([S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1	442215840	QEWODORWRCOVHG-JMQGSBJISA-N	410.461	5.272	30	20	HKED	
N#CCCn1cc(/C=C\c2nc([C@H]3CSc4ccccc4O3)no2)c2ccccc21	446014612	YOACRUDEGSCIEH-JPMGXVIASA-N	414.490	5.334	30	20	HKED	
CCOc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	446229065	SQVQYEMXERYTMH-UHFFFAOYSA-N	401.466	5.374	30	20	HKED	
CC1(C)CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F	447696744	UMOIOIGRSLPQFE-JTQLQIEISA-N	421.288	5.059	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCOc3ccc(Cl)cc32)cc1	460630598	OVISOXLSAKUOAS-UHFFFAOYSA-N	408.816	5.182	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc(C#N)cc1F	463573940	HDRPXQKHLAYHDQ-ZDUSSCGKSA-N	411.839	5.915	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1OC	464148458	CYIPUGDUGRTBDI-UHFFFAOYSA-N	410.857	5.353	30	20	HKED	
O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1	468063082	YGSGZNBZVKZVJF-NEPJUHHUSA-N	411.361	5.361	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(F)c(Cl)cc1Cl	469000561	NGZFQHYIKVRTGN-ZDUSSCGKSA-N	420.315	5.889	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OC)n2)nnc1-c1ccc(Cl)cc1	476460313	ODOYUWRTQFNAHT-GFCCVEGCSA-N	406.964	5.241	30	20	HKED	
CCNC(=O)c1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(C)c1	480695058	JAOLUGLPLSVHCP-UHFFFAOYSA-N	415.518	5.020	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nccc2ccccc12	483190555	BWWDIJULLALIRP-QFIPXVFZSA-N	409.420	5.116	30	20	HKED	
N#C[C@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2ccccc2s1	483445912	WFYBCDXAGWOHQX-LLVKDONJSA-N	410.549	5.058	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1	485467704	SBNDSTBKWMTGDM-UHFFFAOYSA-N	413.546	5.293	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1	485760807	UDRMULKTBIUQJQ-UHFFFAOYSA-N	402.947	5.352	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(C(F)(F)F)nc2)cc1Cl	488661199	XXJQUCVDLDXHSM-INIZCTEOSA-N	416.790	5.057	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1Br)c1cccc(OCc2ccccn2)c1	492751569	TUPDFYGJEZXZLP-MRXNPFEDSA-N	422.326	5.146	30	20	HKED	
COCc1nc(N(C)Cc2ccc(C#N)cc2)c2c(-c3ccccc3)csc2n1	498687987	FAWAJNFTFZXDSU-UHFFFAOYSA-N	400.507	5.013	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCCOc2cccc(Cl)c2Cl)c1	498781444	RLPSOGDEYKLBFM-UHFFFAOYSA-N	407.297	5.474	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)n2)c1	501161809	GPHJHVAFULTCPU-UHFFFAOYSA-N	423.925	5.022	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c(Br)s1	505515845	WSYQZWFGWLNTLW-NSHDSACASA-N	404.116	5.121	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)c2cccs2)cc1	510647658	JSWIYHDJWQUNCR-FQEVSTJZSA-N	411.571	5.471	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	511082189	MESPJMULRBGYQG-KSSFIOAISA-N	407.539	5.126	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	511381840	JTGQGHZCMLJZEU-KRWDZBQOSA-N	411.889	5.282	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(C)(C)c1cccs1	512559102	JLYCCRQLBZPETO-UHFFFAOYSA-N	419.550	5.607	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c(F)c1	513441755	ARIKMKQUDFOIBM-UHFFFAOYSA-N	415.468	5.440	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	514220228	VIABUPNEPVITHM-FQEVSTJZSA-N	414.427	5.545	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ccc(Cl)cc3)c2)c1	515448195	UMYSLDRQVVAWMF-UHFFFAOYSA-N	403.869	5.035	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Cl)c2ccccc21	516714217	VKIQEYZWVNKRCL-INIZCTEOSA-N	416.893	5.317	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)CNc3ccccc3SC[C@@H](C)C#N)c2)cs1	517458649	SMFPECVHJKJOHE-HNNXBMFYSA-N	422.579	5.421	30	20	HKED	
C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)c1nnc(-c2cccc(Cl)c2)o1	525641778	AFWXKCBEGJKTRH-OAHLLOKOSA-N	401.853	6.069	30	20	HKED	
CC(C)CCc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	527117196	KXKUESYVWFUECH-QGZVFWFLSA-N	409.555	5.104	30	20	HKED	
CC(C)(C#N)CCCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O	530628586	VZFULXPHKAFHJF-UHFFFAOYSA-N	416.344	5.217	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	533289236	AVBDKAJUOUXBCL-PXNSSMCTSA-N	411.571	5.396	30	20	HKED	
C=CCN(C(=O)c1cnc(-c2cccnc2)s1)c1nc(-c2ccccc2)cs1	534913352	YKCRIDNTDGMEEZ-UHFFFAOYSA-N	404.520	5.161	30	20	HKED	
C=CCN(Cc1nnc(-c2cc(C)oc2C)o1)Cc1cc(Br)ccc1F	535561151	FOZHIXVJFYJJOM-UHFFFAOYSA-N	420.282	5.036	30	20	HKED	
C[C@@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1	535602048	JGKQLHWWAKJKND-HRFSGMKKSA-N	410.517	5.052	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)cc1Cl	535609565	HVMMZYIPPPBWII-UYAOXDASSA-N	422.912	5.368	30	20	HKED	
CCCN(C(=O)c1cccc(CC#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	537454947	MJZRFOAZAQRPED-XMMPIXPASA-N	401.485	5.237	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1[C@H](C)C1CC1	537478126	PSGUVBHGNMTBJM-DYVFJYSZSA-N	410.930	5.430	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2c(F)cccc2F)cs1	539677823	CNUFJVUEJJJPCF-HNNXBMFYSA-N	405.429	5.134	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1c1cccs1	543862942	YCGZEWGIMYTZRL-MLGOLLRUSA-N	410.486	5.483	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC[C@@H](C(F)(F)F)C1	560620235	AFTPIXHISBKSMH-YUSALJHKSA-N	407.276	5.404	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)c3cn(CCCC#N)c4ccccc34)cc2)cs1	562467450	NAFKTHPHUREJTP-UHFFFAOYSA-N	414.534	5.307	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1F	563924381	IVRBOEWOAKPYGB-AWEZNQCLSA-N	418.310	5.143	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cncnc1-c1ccccc1	573281955	IKORZCHWTVXMBG-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
CC(C)(C#N)Cc1nc(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)no1	584138408	KGYHMZANSVVDQV-UHFFFAOYSA-N	417.900	5.259	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	588993791	KGBAHLAQECFLQK-QFIPXVFZSA-N	416.481	5.369	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(Oc2ccccc2)cc1	598773490	SSQBIYISVVUYLZ-IBGZPJMESA-N	415.493	5.235	30	20	HKED	
C=CCN(C(=O)c1ccc2ccccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603458983	XGCZRVUQPSZRIR-UHFFFAOYSA-N	415.474	5.704	30	20	HKED	
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2cc(C#N)ccn2)cc1	603726861	CTAUDEJXSKGKSV-UHFFFAOYSA-N	409.898	5.438	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3CCc3ccccc3)cn2)c1	603829207	NWSYBTDVMUAYHX-QFIPXVFZSA-N	412.493	5.375	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608329023	IAMOWKJVEMGKQC-PHIMTYICSA-N	422.291	5.386	30	20	HKED	
CCc1c(C)sc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)c1C#N	609032680	ZVRLIQCFQATNRQ-UHFFFAOYSA-N	415.515	5.226	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2ccccc2n1CC#N	609164996	MATXVZAQTJPQLZ-UHFFFAOYSA-N	400.309	5.522	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	609187029	DYIGFIZDSGDIKY-UHFFFAOYSA-N	417.962	5.446	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccccc1	609437583	HMVGMSYBBWVQGO-WIYYLYMNSA-N	421.566	5.163	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(OC3CCCCC3)c2)c1C	610053824	YJXRDBLYLHHUFZ-UHFFFAOYSA-N	414.509	5.325	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cccc(F)c2o1	610227883	PCTQUMCXUVFHJS-UHFFFAOYSA-N	408.376	5.849	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1Cc1ccccn1	613403856	WSWGZOBXZUMHFI-SFHVURJKSA-N	420.925	5.301	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(F)cc1	613407415	RZEQROAOAOLOMN-OAHLLOKOSA-N	424.888	5.327	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccn([C@H](C)c2ccccc2)n1	615024797	WOJFGJGRGDFGHV-IAGOWNOFSA-N	405.527	5.531	30	20	HKED	
C=CCc1ccc(OCC(=O)N(CC=C)c2nc(-c3ccccc3)cs2)c(OC)c1	641902252	OYYNXBNBTRNZLZ-UHFFFAOYSA-N	420.534	5.145	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1OCC	642281593	RAKBZKJKLGGIKO-OAHLLOKOSA-N	412.873	5.549	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nc1	645955598	VEEKPRNGKGMSFH-ZDUSSCGKSA-N	419.428	5.377	30	20	HKED	
O=C(c1cccc(-c2c(F)cccc2F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	677431432	NZADWLUXFZYPCM-CHWSQXEVSA-N	423.303	5.445	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c12	679536842	UWHYKBRBNPHIQK-QGZVFWFLSA-N	422.444	5.474	30	20	HKED	
Cc1cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc(C(F)(F)F)c1	683087127	RLFPGOGRMADUFF-UHFFFAOYSA-N	408.264	5.362	30	20	HKED	
CC1CCN([C@@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)c2cccs2)CC1	726440348	IZLXVVCJKMEEQL-SFHVURJKSA-N	419.019	5.033	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1ccc2ccccc2n1	728408922	JRZCTJWAMHHTKM-WMZHIEFXSA-N	406.485	5.469	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)O[C@H](c2ccccc2)c2cccnc2)o1	728414728	SMJUYDYRQIYBGW-XMMPIXPASA-N	410.429	5.072	30	20	HKED	
CSc1ccc2cc(CNc3ccccc3SC[C@H](C)C#N)c(Cl)nc2c1	731027864	ASEIDXSJWKJXRU-CQSZACIVSA-N	413.999	6.474	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)Nc1ccccc1Oc1ccccc1	731319779	HDIFFNVDZLEQSR-QGZVFWFLSA-N	419.575	6.682	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccccc1COc1cccc(C=O)c1	731620526	WZUPDJZFQAZTDJ-UHFFFAOYSA-N	412.489	5.001	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2)cc1	732061323	DUOOLVHYPMZJBW-UHFFFAOYSA-N	412.276	5.686	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1c(Cl)cccc1Cl	733258482	BUBAUCAWVBIDSG-INIZCTEOSA-N	423.390	5.857	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12)c1ccncc1	734668854	LYUGFSYVYIKXMH-FTJBHMTQSA-N	407.517	5.941	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(CSC3CCOCC3)c2)c1O	734753439	WEQBQSAZJHBCHT-UHFFFAOYSA-N	406.891	5.117	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)sc1C	736954918	CWTKOAJLDAHWLH-HXUWFJFHSA-N	404.539	5.472	30	20	HKED	
N#C[C@@H](C(=O)CC/C=C/c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1	739143899	POSPTFFCLPHUMN-PYJQOMOHSA-N	400.450	5.142	30	20	HKED	
FC(F)(F)c1cccc(NN=Cc2cc(Cl)ccc2OCc2cccnc2)n1	739422283	UQYJMOKQYHLTQO-UHFFFAOYSA-N	406.795	5.174	30	20	HKED	
COc1cccc(CNCc2cccc(-c3ccc(C#N)s3)c2)c1OC(F)F	740011210	KPKXWIBUXPVPQJ-UHFFFAOYSA-N	400.450	5.187	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c(Br)cc1O	741471625	CJZNVZNZSQLTJP-AATRIKPKSA-N	410.267	5.121	30	20	HKED	
C#CCOc1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	742710121	KYDZUPOOASONCU-UHFFFAOYSA-N	402.441	5.131	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2ccc(C#N)c(Cl)c2)cc1	743071782	WSDSAJLXHGWKEL-CYBMUJFWSA-N	414.893	5.441	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c[nH]c3c(C)cccc23)cc1	744028440	KJNOJEGBUXRONA-QFIPXVFZSA-N	401.510	5.099	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(Cl)cc1	745724230	NDWPSOVNAGEJTP-UHFFFAOYSA-N	409.917	6.063	30	20	HKED	
CCn1nccc1/C=C1\CCc2nc(-c3ccc(Br)cc3)sc2C1=O	753718377	YPTFFPXIJLSFIB-ACCUITESSA-N	414.328	5.002	30	20	HKED	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	753940083	XKWVCCLFVBRYHQ-OZOXKJRCSA-N	411.530	5.848	30	20	HKED	
N#C[C@H](C(=O)COC/C=C/c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	763481576	ULCFLWHDLBJQLE-IEXSPKMKSA-N	416.424	5.221	30	20	HKED	
N#CCOc1ccc(CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1	765364102	SNCFGNBNKJUHGI-UHFFFAOYSA-N	405.527	5.040	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(Cl)c1	766264768	QLMJHECRWUMKRK-AWEZNQCLSA-N	417.843	5.429	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(Cl)nc3C(F)(F)F)c2)s1	766708349	AZICMFVCAITZGY-UHFFFAOYSA-N	421.831	5.284	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc2ccsc12	767631064	SNVBNSDGQPBFHB-CQSZACIVSA-N	410.520	5.091	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C	768371158	OPZNRTKVZJCAAG-SFHVURJKSA-N	420.941	5.098	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccn2)n1)c1nc(-c2c(F)cccc2F)cs1	768791274	ZJFBQMBEMASHFO-LLVKDONJSA-N	424.457	5.097	30	20	HKED	
CC(C)(C)CC[C@@H]1NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O	771814939	BXQOGBFEIAVBJD-ICSRJNTNSA-N	409.917	5.247	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCc3cc(Cl)cc(Cl)c32)ccc1OC	772979038	KDKLPVCVKYMPDQ-SJLPKXTDSA-N	405.325	5.460	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCSc3ccc(Cl)cc32)ccc1OC	772986775	QNFFXEHCEQEVEO-FUHWJXTLSA-N	402.947	5.356	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCCCC1)c1nc2ccccc2n1C(F)F	779192965	DWPXCZGQZQUPQN-KRWDZBQOSA-N	411.427	5.649	30	20	HKED	
C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Nc1ccccc1O[C@H](C)C#N	780670221	JTAOAHLWVDXORN-OLZOCXBDSA-N	404.297	5.435	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCO1	781762541	FMJJBSZFBVECGO-NQYLQCIDSA-N	402.947	5.481	30	20	HKED	
CC(C)[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)cc1F	782099743	PAURLDVCKKEECZ-HTAPYJJXSA-N	422.891	5.003	30	20	HKED	
CCc1sc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1C	787047034	VNKJHIPFGVNKKT-BXUZGUMPSA-N	409.338	5.126	30	20	HKED	
COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	788080274	BPKCFDJMTCNFTD-LRDDRELGSA-N	412.898	5.044	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2cccc(-c3ccccc3)c2)c(-c2ccncc2)n1	788356741	VQGYOZIVHBCQFI-KHPPLWFESA-N	404.473	5.422	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1nccc2ccccc12)c1ccccc1	792095159	UGOOZWPAJRUIAB-PSJJOBAMSA-N	404.469	5.660	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1nccc2ccccc12	792100273	DIGLREYXZNSRCP-NBGIEHNGSA-N	412.489	6.084	30	20	HKED	
N#CC[C@H](CC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1	796747306	XUJPRRVHJAKJCD-RDTXWAMCSA-N	415.333	5.940	30	20	HKED	
COc1cc2c(cc1NC(=O)C1(c3cc(F)cc(C#N)c3)CC1)oc1ccccc12	807926016	LCBNETSPTYEWQL-UHFFFAOYSA-N	400.409	5.276	30	20	HKED	
CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)NCc2ccc(OCC#N)cc2)nc1	808705468	HHGYIWIFIRVLBV-XMMPIXPASA-N	419.956	5.143	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c(F)c1	809325928	GLALKKVZAIYKLG-AWEZNQCLSA-N	409.232	5.316	30	20	HKED	
COc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1OC1CCCC1	814574047	OBEHABWTRNXEJQ-OAQYLSRUSA-N	407.514	5.573	30	20	HKED	
Cc1c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)sc2ccc(C#N)cc12	815769894	VLLSKGQEGHGSSE-HXUWFJFHSA-N	416.502	5.050	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)c1nc2cc(Cl)ccc2s1	815913177	JSYCJOCNBGHHFA-GFCCVEGCSA-N	400.290	5.503	30	20	HKED	
CC(C)CN(C(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(C#N)cc1	914510637	RCUHZBCMPVLGPK-UHFFFAOYSA-N	409.486	5.036	30	20	HKED	
CC(=NNc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1	914693102	KPWDSDGIMMXWHS-UHFFFAOYSA-N	410.461	5.258	30	20	HKED	
Cc1sc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	914906435	PIISQPWXZPKRRY-UHFFFAOYSA-N	406.463	5.022	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915352459	IOPSFQWJQSKNBZ-JPYJTQIMSA-N	409.489	6.313	30	20	HKED	
CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915354118	VVKSYTQZPAEQFS-LJQANCHMSA-N	407.876	5.798	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	916074077	LGMCAJUFLADVAZ-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
CC(=O)N(c1nc(C=NNc2cccc(Cl)c2)cs1)c1ccc(F)cc1F	916269301	FHVVPVPOZOSPJK-UHFFFAOYSA-N	406.845	5.205	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3cccs3)nc2C)cc1	916914681	RBPHJNULZOQDCL-QGZVFWFLSA-N	423.563	5.484	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)C(=O)Nc4cccc5ccccc45)cc3c2C1	916917555	HOCOQYIAWFYLBC-ZHRRBRCNSA-N	421.500	5.407	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2cccs2)n1	916946102	KJJIQMWCNNCZPS-GFCCVEGCSA-N	422.318	5.140	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(C)c(C)c3)n2)cc1	920141624	GGYLKZCMKVNUPF-FQEVSTJZSA-N	418.518	5.275	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C)cc4)CCC3)cc2)C1	1785810525	PHKCLAQFUDGSOL-UHFFFAOYSA-N	402.538	5.028	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc4c3CCCO4)cc2)CCC1	1788396636	GZLBCYKGXAOTMQ-INIZCTEOSA-N	424.566	5.033	30	20	HKED	
C[C@@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1	1790083011	WNKCUEZRAHEZRE-IQMFZBJNSA-N	421.928	5.005	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1828828471	KQNFAVCMXDXWCS-RBZQAINGSA-N	412.618	5.121	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl	16095835	RVNAWYSPVFPHPH-QGZVFWFLSA-N	418.852	5.074	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1C	48905267	FNVZDDQMYFZANG-UHFFFAOYSA-N	401.491	5.229	30	20	HKED	
CCN(C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)[C@H](C)c1ccc(C#N)cc1	49656322	SYNVSGSIKFBTIL-OAHLLOKOSA-N	402.498	5.319	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCSc1ccc(Br)cc1	63667843	WPGGROISORVYHB-UHFFFAOYSA-N	417.372	5.240	30	20	HKED	
C=CCc1cc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc(OC)c1OC	65175184	NLLKZYFBPNUDHE-UHFFFAOYSA-N	419.308	5.150	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl	303291687	BFKGEZVWNOQWLU-UONOGXRCSA-N	422.381	5.677	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1[C@H](C)c1ccccc1	303398955	ZPDZALMIQOSVEM-RBUKOAKNSA-N	417.578	6.361	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1	303698054	NVDOZYHVRGRGAG-XMMPIXPASA-N	403.501	5.211	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](c2ccccc2)O1	409811357	WJJGZSMRDZCRGN-KOSHJBKYSA-N	413.477	5.344	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCOc2c(F)cccc21	409873312	IJALCURKZQNZSW-LJQANCHMSA-N	404.466	5.102	30	20	HKED	
C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	410350074	HSDOORCPWFAJMC-LJQANCHMSA-N	404.558	5.041	30	20	HKED	
CC(C)(C)c1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(C(C)(C)C)n1	437971827	QLFIDIOXKWMXBQ-RBUKOAKNSA-N	407.562	5.239	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1C	441843998	PPZSKCDOHLAKGH-UHFFFAOYSA-N	421.541	5.079	30	20	HKED	
O=[N+]([O-])c1cccc(F)c1CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444736222	QCOFVODAMRGJCE-CQSZACIVSA-N	410.289	5.536	30	20	HKED	
C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC(F)(F)F)CC1	460367022	BUMCCUPMCYLMLJ-UHFFFAOYSA-N	417.479	5.026	30	20	HKED	
C=CCN(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)c1nc(C(=O)OCC)cs1	463577958	SHQISMLRCBNPGI-UHFFFAOYSA-N	406.935	5.104	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1Cl	463593523	UAUXSIIYYGZFCL-MRXNPFEDSA-N	404.775	5.860	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(=Cc2ccccc2F)CC1	465248539	AFINWIZEMVYGAL-QGZVFWFLSA-N	409.530	5.789	30	20	HKED	
C=CCCN(C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	466390121	CAIIDMDBNZYAIY-UHFFFAOYSA-N	409.383	5.137	30	20	HKED	
N#Cc1ccc(CSCc2nnc(-c3ccccc3)s2)c(Br)c1	467303752	FGHNDYISDYKGHE-UHFFFAOYSA-N	402.342	5.273	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(Oc3ccccn3)c2)c1	467419280	MZRORXUXUGOADV-HXUWFJFHSA-N	414.509	5.238	30	20	HKED	
CC(C)C[C@@H](CCO)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	467619188	WQHHFGUAQZBAIB-QGZVFWFLSA-N	415.921	5.170	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	468565582	LYDFNRTXSGQFIZ-INIZCTEOSA-N	401.514	5.053	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1	472057527	JLGFRFOUSWJPEJ-QGZVFWFLSA-N	408.477	5.033	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1	473792683	PFQMXDVMCOXZMO-UHFFFAOYSA-N	406.873	5.475	30	20	HKED	
Cc1cc(F)c(Br)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	474968586	PXXCYOJAGRUCSZ-UHFFFAOYSA-N	404.283	5.211	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1	475551894	ZHXSGWHZKLWRMR-IFMALSPDSA-N	400.469	5.468	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	475662984	SPYUXNJRMJVJQA-QFQXNSOFSA-N	415.512	5.555	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	476116694	DFLBRCPSEIRJGV-HXUWFJFHSA-N	424.972	5.683	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccccc1	476749284	RRWHKCFVNZLIEC-WIYYLYMNSA-N	400.444	5.847	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1	482171716	VQZNXFLLWVGMPW-OAQYLSRUSA-N	424.932	5.794	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)cc1	483467503	ZAIYSOALFVXFRZ-DEOSSOPVSA-N	423.516	5.088	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccc1	487174117	CDWRMFAMVIUCQB-FHWLQOOXSA-N	402.416	5.240	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	490628090	PSAPWHCHBJDWOS-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	490650912	OSLNTZKCHSAEBS-UHFFFAOYSA-N	406.294	5.266	30	20	HKED	
Cc1ccc2snc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	497368551	XONYUOVLWQFEFI-INIZCTEOSA-N	400.488	5.090	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2	497988714	DAWHJAAABNZICR-UHFFFAOYSA-N	404.520	5.356	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4c(cnn4CC(C)C)c3)n2)cc1	499164720	REASEXDEDYFWRT-IBGZPJMESA-N	415.522	5.009	30	20	HKED	
COc1ccc(CN(CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@@H]2C)cc1OC	499603695	RZJPKSQQVXOIBG-RBBKRZOGSA-N	414.590	5.185	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cc1Cl	500994154	FYQCVBGEJWMAQW-LJQANCHMSA-N	421.888	5.411	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2C(F)F)cc1Cl	502170105	KZVFUOWURYQHIG-IEBWSBKVSA-N	403.860	5.647	30	20	HKED	
N#C[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1Cl	505635874	OVZSKZREEZLAPQ-OAHLLOKOSA-N	423.847	5.282	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CC1	507810702	HXUUADGJCKGPKK-UHFFFAOYSA-N	419.377	6.052	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(-c2csc(C)n2)cc1	508103496	PZAMSTMJDUYQNV-UHFFFAOYSA-N	418.566	5.155	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1	509951321	HKWPKLZJCCBDPC-AWEZNQCLSA-N	416.868	5.161	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	510024724	WOJIVAIJYRCNLJ-OAQYLSRUSA-N	405.885	5.326	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1CCCN(C2CCC2)C1	511284451	DFRIELOYVOPAGX-QUCCMNQESA-N	419.594	5.092	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C)cc1	511321642	PYUNTBNKWXHLMJ-XMMPIXPASA-N	413.521	5.913	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C2CC2)cc1	511567387	PPPVZHBOUBCQBA-LJQANCHMSA-N	405.395	5.065	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H]3CCC[C@H]3c3cccc(C(F)(F)F)c3)o2)cc1	511810258	TYBJFQDYOSFGDV-OALUTQOASA-N	412.415	5.053	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)o2)cc1	512997342	HLHDQRBKRCHEMW-KOUNCHBCSA-N	412.489	5.281	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)c1	513108138	KOLSXTWUPNSQDX-DEOSSOPVSA-N	412.489	5.123	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1	513118749	OVSWFINMEXZLFI-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-]	513670943	DSUNQJCCHKPBSS-MRXNPFEDSA-N	422.510	5.110	30	20	HKED	
CCN(CCc1nccs1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	513844330	SPZJQNKFURDMLG-UHFFFAOYSA-N	411.914	5.165	30	20	HKED	
C=CCC[C@@H](NC(=O)N(CC)CCc1nccs1)c1ccc(C(F)(F)F)cc1	514013513	NYWBJEAVNBSHTD-QGZVFWFLSA-N	411.493	5.443	30	20	HKED	
C=CCN(C(=O)c1cnn(CCC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	514148560	VSBWULVEHBFSGN-UHFFFAOYSA-N	421.353	5.556	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	517652092	CMYDWADJHGQGNK-UXHICEINSA-N	410.395	5.507	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccccc1Br	520829525	BGNOSLOTVGYVEL-CQSZACIVSA-N	403.345	5.272	30	20	HKED	
CCOc1ccc(CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)cc1	520856786	RBZBFBULRCVFAQ-SFHVURJKSA-N	411.571	5.780	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCCC[C@H]3c3ccncc3)cc2)cc1	521107858	JDFARZCJIJPJGP-VWLOTQADSA-N	411.505	5.697	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1	521194947	DKTJBLPHSFKPSO-UHFFFAOYSA-N	401.297	5.326	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ncccc2OC(F)F)c1	522635786	XWHBAMMADFKLMO-UHFFFAOYSA-N	415.783	5.253	30	20	HKED	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	522704554	GEOBMQKOEWWAOM-UHFFFAOYSA-N	412.227	5.193	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1	522952461	NNDAHRYKVLVISG-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	524253267	GLKJZZGLWJGKDQ-SQJMNOBHSA-N	416.525	5.243	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	524279212	YYXFPYGJBAVVHJ-LBPRGKRZSA-N	417.412	5.107	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	524604388	NXFXKECRJFIJTE-YADHBBJMSA-N	416.452	5.027	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(COC2CCCC2)cc1	525316521	XJWZUIQLJBFGOB-UHFFFAOYSA-N	409.486	5.274	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1	531732364	YYNKNUSGSDNLPU-QFIPXVFZSA-N	401.441	5.170	30	20	HKED	
COc1ccc(CNc2cc(NC(=O)C(C)(C)C)ccc2C)cc1OCCCC#N	532736289	DJZPUQXNWSBBPM-UHFFFAOYSA-N	409.530	5.283	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc(Cl)c(Cl)c1	535854247	HFMRPVUXCUQCLJ-LJQANCHMSA-N	416.695	5.703	30	20	HKED	
C=CCC[C@H](NC(=O)c1ncccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1	538858959	ZHMBDNUHIFKAPS-HNNXBMFYSA-N	402.338	5.557	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1	539050556	MBXNTHDOYLEVNK-FOIQADDNSA-N	401.436	5.039	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ncc(-c2ccccc2)o1	540264955	GVEMNSYSIXFNJO-GOSISDBHSA-N	422.488	5.441	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	542633264	CPAGYZLDZNMHBZ-INIZCTEOSA-N	420.538	5.022	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc2[nH]c(-c3cccs3)nc12	545384565	IDTIXMIEHVMULQ-ICSRJNTNSA-N	412.518	5.203	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2OCc2cscn2)sc2ccc(C#N)cc12	550356276	ZBLDLFUUQZWPIR-UHFFFAOYSA-N	405.504	5.369	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)N[C@H]3CCCc4cc(C#N)ccc43)s2)cc1	552922338	DFGQSHUZBFSLKE-QRQCRPRQSA-N	403.551	5.727	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1	556136635	PYYRKSNTJFDWHZ-HXUWFJFHSA-N	415.331	5.773	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1coc(-c2cccc(Cl)c2)n1	558754907	QCQBWSJDVVEFGK-UHFFFAOYSA-N	410.260	5.192	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1Cl	563786353	NBLYVNSECCJBJK-RBBKRZOGSA-N	405.929	5.792	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2[C@H]3CC[C@H]2c2ccccc23)cc1Cl	567798700	QORPGWMQEMJCOZ-XWGVYQGASA-N	413.908	6.419	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ccccc1Br	579482253	MCZSVWILCGHKGB-GFCCVEGCSA-N	413.768	5.179	30	20	HKED	
Cc1cc(N[C@@H]2CCOC3(CCCC3)C2)c(C#N)c(N[C@H]2CCOC3(CCCC3)C2)n1	590587184	XACDQCMCVCOOQR-UXHICEINSA-N	424.589	5.069	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2ccccc2n1-c1ccccc1	603589520	WCFKZWUWFCLLFC-UHFFFAOYSA-N	422.532	5.269	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OC)cc1	603692275	FRVODODPXNKYHB-OAQYLSRUSA-N	402.454	5.027	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc4ccccc4o3)c2)cc1	603824998	ASQQRKYYBRVADJ-UHFFFAOYSA-N	411.461	5.400	30	20	HKED	
C[C@H](c1nnc(S[C@H](C#N)Cc2ccccc2)n1-c1ccccc1)N1CCCCC1	604076972	CYVYEOCRNSMBED-KNQAVFIVSA-N	417.582	5.041	30	20	HKED	
COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	604461932	WVXIIOGCMGTYCS-INIZCTEOSA-N	417.465	5.250	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1	604618140	FTOHATRITBCZIG-UHFFFAOYSA-N	421.516	5.084	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1Oc1ccncc1	604691243	SVQOJIPBSSKAJD-KRWDZBQOSA-N	403.438	5.421	30	20	HKED	
COC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1	605338779	FZEOCEHSKXXHPV-HNNXBMFYSA-N	424.316	5.373	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609078644	FDTRDAIYJVTNNZ-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)n1	609642297	MAWBXFRZRPDIJG-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
CN1CCC[C@@H](CNc2ncc(C#N)cc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1	609797595	GDXIWGGZMKMPSI-MAUKXSAKSA-N	408.855	5.120	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4ccccc4F)CC3)c2)cc1	609864067	DJGQUUMRZUDEMV-UHFFFAOYSA-N	400.453	5.509	30	20	HKED	
Cc1ccc(C[C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	610027236	YHDMEPVRCPFBML-KRWDZBQOSA-N	421.541	5.410	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(COC4CCCC4)cc3)cc2)nc1	610054341	KKRKZOXXEAEWRS-UHFFFAOYSA-N	413.477	5.457	30	20	HKED	
COc1ccccc1-c1nnc(SCCC(C)(C)C#N)n1-c1ccc(Cl)cc1	610165542	HZBNSASLDHBIMC-UHFFFAOYSA-N	412.946	5.628	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cccc(C#N)c1	610324738	HTQQZRGZHDNDKQ-CQSZACIVSA-N	400.413	5.388	30	20	HKED	
COc1ccc(-c2cc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)on2)cc1	611807091	BOZMLNHGPDERBD-SFHVURJKSA-N	409.489	5.740	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1OCC	613291062	RORWYSNXBJAYIX-KRWDZBQOSA-N	408.885	5.566	30	20	HKED	
CC(C)(C#N)c1ccc(CNC2(c3cccc(Br)c3)CCOCC2)cc1	614171226	XVZFZSCDHACSCN-UHFFFAOYSA-N	413.359	5.046	30	20	HKED	
C[C@@H](c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	619726820	BWZXOALHESZZMB-ZMLRMANQSA-N	409.292	5.709	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1Cl	619769952	VDQBFOLHRKEETD-GOSISDBHSA-N	418.722	5.021	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN(C)C[C@H]1CCCO[C@H]1c1ccccc1	622841330	FYCKWMCCOOQULD-YKSBVNFPSA-N	410.583	5.003	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(-c3ccccc3)on2)cc1	726845510	JWUGUGCRFVJEKA-QHCPKHFHSA-N	408.461	5.319	30	20	HKED	
O=C1/C(=C\c2ccccc2OCc2ccccn2)Cc2c(F)cc(Br)cc21	727780612	QDTPERMMGPVCCN-DHDCSXOGSA-N	424.269	5.385	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccc(OCc2ccc(F)cc2)cc1	728547862	SZXKWDASNSIPKA-QGZVFWFLSA-N	420.509	5.511	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc2cc(F)ccc2s1	730417872	VNYPEIQYULOVTF-LHUXKHBRSA-N	406.482	5.646	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccc(OCc2occc2C(=O)O)cc1	730949114	SJIYNUITVJOZTG-DHZHZOJOSA-N	401.418	5.243	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CCCCOc2cccc(C#N)c2)c1	731988091	DQCQQYAWWDXZBT-UHFFFAOYSA-N	414.530	5.384	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1SC	733083260	GTTCUNFFILIWHR-FPLPWBNLSA-N	412.492	5.345	30	20	HKED	
COc1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c(F)c2)c(F)c1	733259105	RFFOEVNRWMBQAT-NRFANRHFSA-N	412.823	5.288	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccccc2F)C2CCCC2)c1	733849682	BWVLGTULPMLNDW-JOCHJYFZSA-N	423.532	5.204	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	734081563	MZUQTRLNKBQHQY-MLGOLLRUSA-N	416.333	5.567	30	20	HKED	
C=CCCCSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	735414989	PDBPMVICKOPOAX-GHRIWEEISA-N	418.971	5.853	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	739180770	NCCHRNRIWJWNAN-XHDPSFHLSA-N	406.404	5.509	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1	740534945	JOAMIFQOPQJDCI-VBKZILBWSA-N	407.901	5.225	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Cc3ccccc3)C(C)C)n2)cc1	740542325	PWZMTXOIJQOEQU-SFTDATJTSA-N	404.535	5.510	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(Cl)c1)C(=O)c1sccc1Br	743468005	IPTTXQITGXDZOI-JTQLQIEISA-N	403.084	5.023	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(COc3ccccc3)c2)cc1	743473895	YZYWPEAKUSBLDE-OAQYLSRUSA-N	413.521	5.321	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)/C=C/c2ccccc2C#N)cc1	744281297	XHZXODCVKCEYCH-OVCLIPMQSA-N	416.864	5.107	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC)c1ccncc1	745827244	HYIRDSPINNXVPI-FYYLOGMGSA-N	421.928	5.450	30	20	HKED	
CN1CCCc2cc(CNC(=O)c3ccccc3Sc3ccccc3C#N)ccc21	746808755	JRNMHDWFDHSJCB-UHFFFAOYSA-N	413.546	5.022	30	20	HKED	
N#CCCn1cc(C=NNCc2ccc(-c3ccccc3)cc2)c(-c2ccccc2)n1	748085585	IDCKMXWFKJZDCM-UHFFFAOYSA-N	405.505	5.254	30	20	HKED	
N#Cc1csc(/C=C(\Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)c1	748440195	JHAZIAKTAJHUSK-NSIKDUERSA-N	413.886	5.461	30	20	HKED	
CC(=O)N(c1nc(/C=C2/CCSc3ccc(Cl)cc3C2=O)cs1)C1CC1	748440788	GKCUQQLYZKJBBS-WQLSENKSSA-N	404.944	5.074	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3c[nH]c4cc(F)ccc34)c2)cc1	749453608	UJPAXPSKAPNPGZ-LFYBBSHMSA-N	414.436	5.464	30	20	HKED	
Cc1cccc([C@H](O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	768965077	HGFOXWIEHZEXTR-JTHBVZDNSA-N	419.912	5.159	30	20	HKED	
N#Cc1ccc(OC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c(F)c1	769740271	MAUDKGYFXQPTFM-UHFFFAOYSA-N	405.212	5.197	30	20	HKED	
Cc1ccc([C@@H](O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	770217271	JMVHQOBSNZMJMU-GMAHTHKFSA-N	419.912	5.159	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1ccc(C#N)cc1F	781108803	SVLCMKZFJRAPFH-MDZDMXLPSA-N	424.273	5.159	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	784535398	GUEIUXSJSVKRMW-LJQANCHMSA-N	416.443	5.142	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1	787047837	DHZYQPGEOWZMKI-HBUWYVDXSA-N	403.309	5.073	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1	790629847	RVGLVLSOBQCOQC-PKTZIBPZSA-N	403.526	5.345	30	20	HKED	
COc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	793092911	QRGCTRJTHRMUFL-QGZVFWFLSA-N	409.486	5.068	30	20	HKED	
Cc1ccc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)csc2c1	796634804	JMGIJTTZHDNHEZ-ZDUSSCGKSA-N	403.290	5.478	30	20	HKED	
CC(/C=C\C(=O)c1ccc(S(C)(=O)=O)c(F)c1)=C/c1ccccc1C(F)(F)F	799891348	CTCNUPHGNVEPRG-ICOAOPQBSA-N	412.404	5.090	30	20	HKED	
CC(C)OCc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1O	809872625	JCTDJELZYYYXCV-QHCPKHFHSA-N	415.493	5.617	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1cc(C(F)(F)F)ccn1	813215221	UPOPWKAXGVIGHQ-LJQANCHMSA-N	402.416	5.231	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	814576713	GRCGMKOJXLFZSC-JWQCQUIFSA-N	408.505	5.899	30	20	HKED	
Cc1c(-c2nc(C3(NC(=O)OC(C)(C)C)CCCC3)no2)sc2ccc(C#N)cc12	904418536	QCDLGJBCTQDLJH-UHFFFAOYSA-N	424.526	5.425	30	20	HKED	
COc1cc(C=NOCc2cc(-c3ccc(Cl)cc3)no2)cc(Cl)c1OC	913031496	RMOQTJYAPJTYOZ-UHFFFAOYSA-N	407.253	5.216	30	20	HKED	
Cc1ccc(-c2nnc(S)n2N=Cc2c(OC(F)F)ccc3ccccc23)cc1	916306602	OVAHZASRVLTDAY-UHFFFAOYSA-N	410.449	5.179	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1ccc(N)cc1	916544677	QMEDCPMHJMHOBP-UHFFFAOYSA-N	407.539	5.061	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	916849202	SVYVNSLFGJTRKJ-IBGZPJMESA-N	412.518	5.006	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccc(OC(F)F)cc2)cc1	916948679	JGXLYHDKNRXGNQ-MGPUTAFESA-N	414.452	5.082	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl	920105840	MOANBYMDBQTQEW-CQSZACIVSA-N	406.894	5.858	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCCC)cc4)cc3)CCC2)C1	1790337046	AKRQIPUVZNZOKJ-UHFFFAOYSA-N	418.537	5.189	30	20	HKED	
CC(C)CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1	1792126252	COIWEMRWZHIERL-IBGZPJMESA-N	417.553	5.498	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1	1805457500	AAKAVPXODLPIEF-UHFFFAOYSA-N	422.613	5.423	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CC(=C)C)n[nH]1	1819554809	PUICRDFPWYYDJS-UYAOXDASSA-N	412.578	5.163	30	20	HKED	
N#CCC[C@H](C#N)CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1	15241283	MCPRSHCOUYKGRN-MRXNPFEDSA-N	423.929	5.035	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccccc2)cs1	41535151	PZZAHRBKCQZJSO-IBGZPJMESA-N	418.449	5.611	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1	47358259	HZJQDIAEZXPWGD-OAHLLOKOSA-N	413.842	5.296	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccccc1Cl	49724050	WVHMHHCYSRTVPZ-HNNXBMFYSA-N	407.857	5.113	30	20	HKED	
C=C(C)COc1cc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)ccc1OC	60822073	VLTRZVRCPRFJHT-PXNMLYILSA-N	407.495	5.041	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1	63390140	KQZPSJTXCIFASG-UHFFFAOYSA-N	411.505	5.378	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](Sc1ccccc1)c1ccccc1	63576221	BBCQYYZQDLWRBN-XMMPIXPASA-N	416.546	5.067	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1	65869914	YZZAMMFTNATQMF-UHFFFAOYSA-N	414.958	5.026	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1	72069522	FCLZXKRCSDJLEZ-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
O=C(/C=C/c1ccc(SC(F)(F)F)cc1)c1ccc(N2CCC(O)CC2)cc1	97552589	JVDJATFFFDMFIN-XCVCLJGOSA-N	407.457	5.156	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1	109153876	XBTNOHVTSQZYTL-UQBPGWFLSA-N	413.521	5.773	30	20	HKED	
CCOc1ccc(-n2c(SCCCCC#N)nnc2-c2ccccc2Cl)cc1	195549287	DBNSASRORGILSY-UHFFFAOYSA-N	412.946	5.772	30	20	HKED	
C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cc2ccccc2s1	428711992	RQTYKVGMOQZHMD-INIZCTEOSA-N	400.507	5.169	30	20	HKED	
CC1CCN(C(=O)c2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1	432922431	NHRWTZOYNKZWOP-QHCPKHFHSA-N	418.541	5.115	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCc2sc(Cl)cc21	433124923	GXSASWAKNINCPD-OCCSQVGLSA-N	405.976	5.852	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccncc1	435126794	QYIJMQDTXSJUHC-QZTJIDSGSA-N	407.949	5.136	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	437549232	OEUWAWSHUPJRGR-VQTJNVASSA-N	403.482	5.032	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1	437894986	JODGZDXHIZATBD-RDGATRHJSA-N	411.505	5.084	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)cc1	438031417	GDPBEXNGZZHIOP-RPBOFIJWSA-N	422.488	5.654	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc21	444143534	RBGZLVMRWLBMSJ-UHFFFAOYSA-N	422.488	5.450	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc2c(cc1Br)CCC2	446422749	NTVWVXOTXTUPHD-UHFFFAOYSA-N	410.315	5.030	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1nccc2ccccc12	447633035	SPTWOOLYSAJXIY-HSZRJFAPSA-N	406.441	5.178	30	20	HKED	
N#C[C@H]1N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC[C@]12CCCCO2	448262761	ZRGUVEFPCDZXNM-IAGOWNOFSA-N	406.370	5.151	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(CCn3ccc4ccccc43)no2)c2ccccc21	460159966	KAIVEZHMCJSZLM-KHPPLWFESA-N	407.477	5.306	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	463590843	FJZZIAFOVWVOOJ-WOSRLPQWSA-N	405.313	5.156	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc(C#N)cc1	464358222	FXANUMCUVHPLEU-AUUYWEPGSA-N	420.513	5.259	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1Cl	464952405	NHNDHPLHFGYBQW-AEFFLSMTSA-N	403.707	5.014	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccc1	466608431	OPLUQEVCPPJYIV-AWEZNQCLSA-N	423.929	5.688	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccc1	469088305	RCNZIIVSYSLIJU-QGZVFWFLSA-N	417.538	5.651	30	20	HKED	
C[C@H](O)C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1	469512447	RPEPZHQLNFGUAJ-RXVVDRJESA-N	415.493	5.027	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1	469665042	XRLZOVQLWNVIAK-LSDHHAIUSA-N	401.482	5.238	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCOCc3ccccc32)cc1Cl	470639315	XPVYSSNYFAMLBM-UHFFFAOYSA-N	404.853	5.181	30	20	HKED	
Cc1ccc(CN(CC(=O)c2cn(CCC#N)c3ccccc23)Cc2ccco2)s1	472428546	GQEPVHRQACDHFD-UHFFFAOYSA-N	417.534	5.403	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)C[C@H](CC#N)c2ccccc2)c(C(F)(F)F)c1	475524668	BHXJFRWEWQJMOS-KRWDZBQOSA-N	404.432	5.196	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	475604698	WELCEJWAPIHLOY-ZWKOTPCHSA-N	416.550	5.883	30	20	HKED	
C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cc2ccccc2o1	476492372	RNOJWTDXLMMRPX-DZIBYMRMSA-N	403.482	5.055	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)Cc1cc(Br)cs1)c1ccc(F)c(F)c1	477732121	QVJUQMCRABSGOK-MRXNPFEDSA-N	415.303	5.248	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479194933	VIIDWDRMXYDFRS-IVMQYODDSA-N	411.933	5.304	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	479546745	XMEPMBGFFCEFGL-UHFFFAOYSA-N	415.518	5.619	30	20	HKED	
CN(CCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481690924	ZXJUFFJKLNVOSU-UHFFFAOYSA-N	421.447	5.122	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	482000357	KDWNJLYGYRZJPY-KBXCAEBGSA-N	404.457	5.512	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c1	483200209	PQKJMFBTFWTCGX-QFIPXVFZSA-N	423.859	6.042	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1nccc2ccccc12	483986853	XILAMCAWYZPDTD-FQEVSTJZSA-N	412.395	5.234	30	20	HKED	
COc1cc(C#N)ccc1CN1CCC(c2nc(-c3ccccc3OC)cs2)CC1	485109447	VHNPYIWBVZBGQY-UHFFFAOYSA-N	419.550	5.079	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Oc2ccncc2)c1	485390291	YHTZQIJGSHVXDI-UHFFFAOYSA-N	404.426	5.002	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21	486492629	ATWFADHCWPOOPH-ZVXPMLRVSA-N	419.594	6.271	30	20	HKED	
CC(C)c1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1	487047158	UMCSYRFANOCDTH-GMAHTHKFSA-N	413.525	5.299	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)CCc3cc4ccccc4o3)s2)cc1	491504124	WPVCTTAEFZGBMI-UHFFFAOYSA-N	420.519	5.020	30	20	HKED	
CCCN(C(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1Br	500399919	QNUTXGIJQVUYHQ-HNNXBMFYSA-N	400.320	5.004	30	20	HKED	
Cc1c(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)sc2ccc(C#N)cc12	501058679	RXJOSDBIPMCFEG-GOSISDBHSA-N	414.889	5.088	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc(OC(F)F)cc3)c2)cc1	501428384	VTIWTMCVSJVXCS-UHFFFAOYSA-N	422.431	5.114	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1	502045157	DXBKWNMTGFPFGW-NRFANRHFSA-N	402.489	5.147	30	20	HKED	
COCc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	502494862	PIODHTIWNQYPID-UHFFFAOYSA-N	403.438	5.150	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	503563295	RWKXLXKCLLSZBS-OAHLLOKOSA-N	409.361	5.620	30	20	HKED	
O=C(Nc1ccc(F)cc1OC(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510104866	YFDFTADSBXJQGC-CYBMUJFWSA-N	410.289	5.381	30	20	HKED	
Cc1cc(Cl)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1C	510315396	LGMKXVLUQYMDFR-UHFFFAOYSA-N	403.869	5.333	30	20	HKED	
COCc1nc(CNCc2ccc(C#N)cc2C(F)(F)F)c(-c2ccccc2)s1	514895269	VEMQQWLVUYLYKW-UHFFFAOYSA-N	417.456	5.137	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	515540139	FMHPXVSBMIWIMZ-CQSZACIVSA-N	423.444	5.659	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1	517118271	VRNMDEIELWGVMP-UHFFFAOYSA-N	401.485	5.861	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1OC1CCCC1	517605243	NCPIFZMPPBBZDG-SFHVURJKSA-N	419.308	5.318	30	20	HKED	
CSc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1[N+](=O)[O-]	517841721	RVKHUPKQNFYECR-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)Cc2c(F)cccc2C#N)c(C(F)(F)F)c1	518247463	AZMMOHVMMBTYJD-LBPRGKRZSA-N	410.436	5.788	30	20	HKED	
CCCN(CC#N)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	522740658	AHIZOMKHYLFSBY-UHFFFAOYSA-N	405.285	5.013	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1	523945016	RUWUMFPSFYIRAS-NRFANRHFSA-N	403.869	5.376	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1	525001671	LKNHPQLYIGHJNS-UHFFFAOYSA-N	418.394	5.250	30	20	HKED	
C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	525647163	WZTWNHAERNAGAX-KGLIPLIRSA-N	419.344	5.249	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nn1-c1cccc(Cl)c1	539736991	IKEPBOGIJIFXAX-UHFFFAOYSA-N	407.905	5.148	30	20	HKED	
CC(C)COc1ccccc1[C@@H](CC(C)C)NCc1nnc(-c2cccc(C#N)c2)o1	540479150	XBTMJCWKVSKHLP-JOCHJYFZSA-N	418.541	5.520	30	20	HKED	
C=CCCOCCCCC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21	540494607	FIWRPNIHBGGACK-KRWDZBQOSA-N	412.393	5.207	30	20	HKED	
C[C@H](N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C)c1ccc(C#N)c(F)c1	540707948	JPCLVEMLDKUBLB-ZKTNFTSUSA-N	405.336	5.594	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)c2)cs1	542075666	TYBLONROJWFKST-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
COc1ccc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1NC(C)=O	543033759	OAYAOQWNOVZKND-ROUUACIJSA-N	413.521	5.604	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2cccc(C#N)c2)cc1	543853049	XIXSSKHIRWUJTH-QGZVFWFLSA-N	424.504	5.456	30	20	HKED	
CO[C@H](c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1)c1ccccc1Cl	545107641	YYZZOLXIMGKKPX-FQEVSTJZSA-N	421.840	5.169	30	20	HKED	
COc1ccc(C#N)cc1CNC1(c2nc(-c3ccccc3F)c(C)s2)CCC1	550524755	FXUQBDDEMYHDIZ-UHFFFAOYSA-N	407.514	5.307	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccncc2)cc1	557707650	MKJPDTHOPQRHTK-QGZVFWFLSA-N	403.507	5.307	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1	564362342	JCTBGBXVPNMHND-UHFFFAOYSA-N	422.460	5.037	30	20	HKED	
CCCN(C(=O)c1cccc(C#N)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	589742883	COFGSOMHKFEQMR-UHFFFAOYSA-N	417.321	5.440	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccccc2Oc2ccc(OCC)cc2)CC1	592328041	CLDUCERSJDKGQL-UHFFFAOYSA-N	409.530	5.040	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1cccc(Cl)c1	592974350	UNAICWAEFKAFBP-OAHLLOKOSA-N	410.861	5.073	30	20	HKED	
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	603656297	HYPAZWBVQDGOKN-OAQYLSRUSA-N	407.514	5.001	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OC(F)F)cc1	603691775	CCRCTTPSNVJWDI-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1Cl	603766226	NLCASOAQWWPZDD-OAQYLSRUSA-N	404.872	5.805	30	20	HKED	
CC(C)Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	603819374	OMVDNEOEYYEGQF-UHFFFAOYSA-N	408.552	5.153	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C	608915722	XVXHYBLUQGWCQM-UHFFFAOYSA-N	404.436	5.086	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1F	609164867	YTNMNNJIQWATHA-LJQANCHMSA-N	421.859	5.345	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	609189952	GGIDKRKEOANXJH-UHFFFAOYSA-N	421.591	5.535	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1	609318409	UWPLWXSGQYPCJC-AWEZNQCLSA-N	407.499	5.044	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCc1cccs1	609377781	MKEDQLZBHJEOIP-MRXNPFEDSA-N	424.616	6.544	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609514094	ZBHUJCKAJHQVAR-UHFFFAOYSA-N	413.502	5.427	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1	609550786	YLMYYPQAAOZEIM-INIZCTEOSA-N	403.448	5.130	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N(C)Cc1cccc(C#N)c1	609745077	MJPBOSVNSJHIEK-UHFFFAOYSA-N	401.514	5.014	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(F)c1	610025674	UDDVYDINHZYMRX-LJQANCHMSA-N	405.395	5.153	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br	610044240	ICTCKVUKAIIZFB-LLVKDONJSA-N	420.288	5.004	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1C	610054509	NUMWHLLRTJFXJA-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1cccc(C#N)c1	610364447	SYBCRLWUMYFZLV-INIZCTEOSA-N	412.518	5.218	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(CSc3ccc(C#N)cc3Cl)s2)cc1	611102538	XXTPEPNLKMCGOK-UHFFFAOYSA-N	414.943	5.170	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccc(F)cc12	613319176	UFVLKNTYZWQYTL-MRXNPFEDSA-N	410.857	6.147	30	20	HKED	
CCOc1ccc2c(c1)[C@@H](NCc1cccc(OCc3ccccc3C#N)c1)CCO2	614101548	SETMXGLXHKNIOY-VWLOTQADSA-N	414.505	5.149	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)nnc1-c1cccc(C)c1	617940355	HNXQZRFSVZOTNZ-RBUKOAKNSA-N	420.582	5.106	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@@H](C)c1cccc(C#N)c1	619551843	WCTUOHFEMQYXDB-NSHDSACASA-N	400.265	5.320	30	20	HKED	
Cc1cccc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)oc12	622283157	JAJKOJWHGCKUOD-CYBMUJFWSA-N	400.381	5.860	30	20	HKED	
CSc1c(F)cccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	684761896	YLYZIZIUFKNXAP-IUCAKERBSA-N	403.363	5.187	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)c1	726468738	GUUQELRXNXSBAP-SFHVURJKSA-N	416.546	5.303	30	20	HKED	
FC(F)(F)c1ccccc1C=NOCc1nnc(-c2c(Cl)cccc2Cl)o1	726594112	DTEMRLRWISEWFB-UHFFFAOYSA-N	416.186	5.613	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1	726940280	CEQKZBOJOGHRCN-UHFFFAOYSA-N	403.532	5.894	30	20	HKED	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	728268007	UKUKTKYLOLOGOI-UHFFFAOYSA-N	414.509	5.121	30	20	HKED	
CN(C(=O)CCN1c2ccccc2Sc2ccccc21)c1ccc(C#N)cc1F	729654060	OAFGYNDKABLBCS-UHFFFAOYSA-N	403.482	5.353	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1	730061420	UKXKPVFFSFZWEZ-BKMJKUGQSA-N	409.533	5.829	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3cccc4ccccc34)n2)cc1	730922996	SFPHZHOPPMEXHL-XPWALMASSA-N	424.525	5.952	30	20	HKED	
C[C@H]1CCCC[C@@H]1NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N	730955209	UVICBJDWVQHQFR-JSGCOSHPSA-N	401.523	5.576	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1	730994280	ISMJSORXQQWUHJ-NKSUMMKUSA-N	407.926	5.792	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccsc1	732038294	IEGLOQJMHQXGQY-IBGZPJMESA-N	412.511	5.216	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3c(s2)-c2ccccc2CC3)c1	733774632	JKLFRWOPEZKSQB-IBGZPJMESA-N	402.519	5.125	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1	733845482	RZDVQXUAYBAGAF-CQSZACIVSA-N	411.811	5.361	30	20	HKED	
C[C@@](O)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1	734061392	UUNDQLVQLZBRND-HSZRJFAPSA-N	421.884	5.033	30	20	HKED	
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	735320021	IUAYEBUJJGPCPH-HOTGVXAUSA-N	402.947	5.050	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c1	737564758	BPKAOUSLGJXPGP-DNVCBOLYSA-N	404.432	5.196	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	739159193	HVUKCVUNBNNNKH-HRAATJIYSA-N	404.535	5.751	30	20	HKED	
CCOc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	742996177	ZMTJSNOPYHQHFR-UHFFFAOYSA-N	421.497	5.484	30	20	HKED	
CCC(CC)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)SC	743105495	RKIMTSOVZBQZEZ-UHFFFAOYSA-N	411.571	5.375	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1)c1ccncc1	745826468	ARBSDUXKERLOTM-YADARESESA-N	415.537	5.777	30	20	HKED	
CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	746658692	GFJHFGQCIQZFOB-DEOSSOPVSA-N	401.485	5.925	30	20	HKED	
O=C1/C(=C/c2ccc(Cl)nc2)CN(c2ccccc2)C/C1=C\c1ccc(Cl)nc1	748999367	WNJCVGJXHOWUGV-XOBNHNQQSA-N	422.315	5.340	30	20	HKED	
Cc1csc(Sc2c(Cl)cccc2NC(=O)COc2cccc(C#N)c2)n1	751122193	NWUZHSKXOIHKBB-UHFFFAOYSA-N	415.927	5.145	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2CSCCS2)cc1Cl	751613042	WCIPSUFMXHTARI-WMZOPIPTSA-N	402.972	5.173	30	20	HKED	
COc1cccc(/C(C)=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	751825870	CYGWXELZNUBNIO-ATEOEAFZSA-N	408.910	5.752	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1-c1ccccc1	754192404	WZVQIRHRSNDCNR-DEOSSOPVSA-N	420.516	6.039	30	20	HKED	
C#CC[C@H](NCc1cc(OC)c(OCc2ccccc2)c(OC)c1)c1ccccc1	756996702	QYRCTGLCUAUMBX-QHCPKHFHSA-N	401.506	5.137	30	20	HKED	
CCOc1ccc(C=NO[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1	757615883	RBXBAVRFMXQKML-GFCCVEGCSA-N	406.269	5.554	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1	759037898	LHOWUOMNZXAIGO-SJORKVTESA-N	417.575	5.057	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	760194340	BUGMILRGJBIIMJ-XHDPSFHLSA-N	417.317	5.688	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	766845927	HIGOVBFANIVFKM-AWEZNQCLSA-N	407.342	5.259	30	20	HKED	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	772416418	HOJKCZNJPHVQJT-RPBOFIJWSA-N	413.521	5.147	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(Br)ncc1C	776049211	NBTYZEOBROHIKP-UHFFFAOYSA-N	400.729	5.088	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CCC2	780005177	AQQWDBONLYBDRA-LJQANCHMSA-N	407.470	5.062	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	780166927	UHBWHDJNIGJOSD-ZDUSSCGKSA-N	415.877	5.230	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1	780310360	YTUQBTWVNYVILB-LXBDKUERSA-N	404.510	5.055	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1	780678257	SGUKTYCDUOOSJR-OPAMFIHVSA-N	405.885	5.542	30	20	HKED	
CC(C)(C#N)CCCOC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	784894405	UEFFTEGSYVJHDI-UHFFFAOYSA-N	410.301	5.239	30	20	HKED	
C=CCOc1ccccc1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1	787666838	YBHQWLJLMVIKQS-UHFFFAOYSA-N	413.517	5.042	30	20	HKED	
N#CCCn1cc(/C=C2/Cc3cc(Br)ccc3C2=O)c(-c2ccccc2)n1	788353642	ICVZPIISOQHKHW-ATVHPVEESA-N	418.294	5.049	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(C#N)cc3Cl)c2)cc1	788361138	VBXVFBJTUWUWFS-SDQBBNPISA-N	416.864	5.369	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	789451530	XSNKILZQCXIWJH-KRWDZBQOSA-N	401.551	5.012	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCOc3c(cccc3C(C)C)C2=O)cn1	792888483	ZECMHICCLSXQKG-QGOAFFKASA-N	400.478	5.324	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCc3[nH]c4ccc(Cl)cc4c3C2=O)cn1	792906540	QWJYIODTDHLMCR-GDNBJRDFSA-N	415.880	5.499	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc2nc(-c3ccccc3)oc2c1	796629480	PCZQYTOQFTXLKL-IBGZPJMESA-N	419.440	5.490	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	802044978	BSDUEDBRXOOURT-YOEHRIQHSA-N	409.436	5.250	30	20	HKED	
Cc1ccc(NC(=O)c2cc3ccccc3cc2OC(=O)CCCCCC#N)cc1	805919336	AOOHWASWSCQXRC-UHFFFAOYSA-N	400.478	5.780	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=S)Nc1ccc(Oc2ccccc2)cc1	809164280	POUBMOUAOFIVBE-UHFFFAOYSA-N	417.534	5.196	30	20	HKED	
CCO[C@@H](c1noc(Cc2ccccc2CC#N)n1)c1ccc(F)cc1C(F)(F)F	809533019	RKOZSEXMWPAIHS-LJQANCHMSA-N	419.378	5.010	30	20	HKED	
Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1	821639979	VCKXYVSONIMPLM-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)N[C@H](C#N)c3ccc(Br)cc3)ccc2c1	913205702	GMRWASLOWRTHQB-TWWUCYKXSA-N	421.294	5.005	30	20	HKED	
FC(F)(F)c1ccc(CNN=Cc2cc(Cl)ccc2OCc2cccnc2)cc1	915972875	WRKIDWFDHFGUKX-UHFFFAOYSA-N	419.834	5.457	30	20	HKED	
COc1ccc(C(C)=NNc2ccc3ccccc3n2)cc1CSc1ncccn1	916594875	SMNIAXZRNGBIDS-UHFFFAOYSA-N	415.522	5.162	30	20	HKED	
CCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21	916908053	KUVFDBJZMBJHQF-HXUWFJFHSA-N	423.472	5.415	30	20	HKED	
C[C@@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2C1	916927159	DNJVACVXCSCMRT-ZWNOBZJWSA-N	407.322	5.141	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2cccs2)n1	916946103	KJJIQMWCNNCZPS-LBPRGKRZSA-N	422.318	5.140	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	917045416	ZGIQUNYMVYRTAA-RRGWEWPQSA-N	424.909	5.413	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	917045939	DDPNWQLMFBOVNQ-WMLDXEAASA-N	412.942	6.025	30	20	HKED	
O=C(/C(=C/c1cnc(-c2ccccc2)nc1)c1nc2ccccc2s1)c1ccccc1	917143110	BNYGHPONCZVJJT-QNGOZBTKSA-N	419.509	6.177	30	20	HKED	
C=CCn1c(=S)n(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc21	918732837	NERANVVOGAUGQK-BETUJISGSA-N	423.426	5.378	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2ccc(C)s2)cc1OC	921007198	ITEDJYWASCXZBZ-XFXZXTDPSA-N	423.534	5.465	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(C2CC2)CC1	1360750846	QUJIBTPVUUJMOD-HOTGVXAUSA-N	413.953	5.000	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(OC)cc1	5319616	LFILOTOKMMVJQO-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1Cl	47565603	MUQKYDXSQRXHIA-GGAORHGYSA-N	416.912	5.759	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4)n3)n2)cc1	60043758	CIAHKKACWVRGFB-KRWDZBQOSA-N	412.499	5.295	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1	65680181	ZCEOMNWBPNCNAK-QHCPKHFHSA-N	414.461	5.161	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2c(C)ccc(C)c2c1C	108904380	YVSAOLOBHPFWSR-UHFFFAOYSA-N	411.461	5.978	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C	248037777	ZNYAEEZLZAOPPV-UHFFFAOYSA-N	406.511	5.162	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)o1	302700015	XCOSLDUQHSBEHQ-MRXNPFEDSA-N	417.450	5.091	30	20	HKED	
C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cc2ccccc2s1	410303216	PVTXJRDYPRKNDC-OAHLLOKOSA-N	402.475	5.436	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)NCc2cccc(F)c2C#N)cc1OC	428322832	VFDJYGQUYBOWPQ-QHCPKHFHSA-N	404.485	5.097	30	20	HKED	
Cc1sc(CNC(=O)c2cccc(SCC#N)c2)nc1-c1ccc(Cl)cc1	430767790	WRPHEISTXMWSRF-UHFFFAOYSA-N	413.955	5.318	30	20	HKED	
Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	432839773	OFVWENHANFOEKD-NRFANRHFSA-N	417.538	5.493	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1	439381412	CRJYPDRDIWJPNW-YUDQIZAISA-N	417.534	5.161	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)cc1C(F)(F)F	439448278	GEYXWCHUZVCPPY-UHFFFAOYSA-N	416.378	5.178	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(C)(F)F)c2)cc1C	440637457	NWSRJAZZAIBGLM-UHFFFAOYSA-N	408.452	5.445	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3ccc(C#N)cc3)C2)n1	446132425	VUYZENBEYKYFDZ-QGZVFWFLSA-N	418.522	5.102	30	20	HKED	
CC[C@H](N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1	447595091	LAAMTPHKRPRUBE-ROUUACIJSA-N	400.366	6.311	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)C1(C#N)CCCCC1	460646814	KZIASJHGWHFPCB-UHFFFAOYSA-N	418.516	6.144	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	463291656	XNRFMHASAOPOJK-IBGZPJMESA-N	416.496	5.678	30	20	HKED	
CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	464161939	KFVAGBSLSUNYCW-FQEVSTJZSA-N	401.850	5.099	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](CC(F)(F)F)c1ccccc1	465726257	PBQVPISRDDCTJK-AABGKKOBSA-N	401.432	5.161	30	20	HKED	
Cc1noc(C)c1COc1ccc(CC(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1	470203243	PIBGBRSPEFZXQL-UHFFFAOYSA-N	423.557	5.028	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	475577760	HOLAQGCMAACGIQ-YKSBVNFPSA-N	405.586	5.571	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1ccccc1	476721075	GSAJRCIHVZFIJF-PXNSSMCTSA-N	418.484	5.409	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2cnc3ccccc32)cc1)c1nc(-c2ccncc2)cs1	480970670	LOULFVLVRYQZCN-LJQANCHMSA-N	421.485	5.034	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	484338497	VXKPXQILCKLMJG-KRWDZBQOSA-N	418.468	5.417	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	486911983	OOKQBXJOLLNKRD-PXAZEXFGSA-N	411.424	5.503	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c(F)cccc1F	488245507	BGZXIXVMLICYNE-MRXNPFEDSA-N	406.432	5.352	30	20	HKED	
C=CC[C@@H](C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1	488677412	RFMLEKBHJNWCBV-HSZRJFAPSA-N	402.469	5.054	30	20	HKED	
C=CC[C@@H](C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1	488685722	MVHGJZVEYNZWCT-HSZRJFAPSA-N	402.469	5.054	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)CSc1nc(C(F)(F)F)ccc1C#N)c1cccs1	488783711	PGUMGKCBAIUALJ-HNNXBMFYSA-N	413.490	5.029	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCC[C@H]1OCc1ccccc1	494050737	RNQLAGBHFNZLJV-SLYNCCJLSA-N	409.555	5.198	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(SCC)cc1	494663320	GBWVTCKRYZPLLC-SFHVURJKSA-N	400.592	5.425	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc4ccccc34)c2)cc1	501417620	BREOIJRHWZNBFT-UHFFFAOYSA-N	412.514	5.728	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	502655783	SLSDJCUEHRWILL-UHFFFAOYSA-N	412.449	5.677	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1	503408120	RFXBMQYQFARWBL-BXKMTCNYSA-N	424.566	5.740	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)cs1	505232132	VLCWLAZMXIRZGD-CQSZACIVSA-N	407.514	5.284	30	20	HKED	
Fc1cc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2ncccc2c1	505838501	IGOVTQBIWMNMPI-KRWDZBQOSA-N	402.313	5.786	30	20	HKED	
N#C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1ccc(Cl)c(Cl)c1	505981098	IGJXGKGGMVCHMM-HNNXBMFYSA-N	406.656	5.296	30	20	HKED	
CC(C)(C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cc(F)cc(C#N)c1	506528547	VPBGMDLJMVVKTC-UHFFFAOYSA-N	413.452	5.064	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C1(c2ccc(Cl)cc2)CCOCC1	512568599	JDGDZJYFDCWPRO-UHFFFAOYSA-N	410.366	5.318	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	513198317	CEXKTFBAADBGMP-AWEZNQCLSA-N	408.914	5.301	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1sc2c(c1C#N)CCCCCC2	515449559	ZCBHEETUQCFWIX-UHFFFAOYSA-N	405.523	5.423	30	20	HKED	
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519064390	ZWZFRKDIZYTIMD-ZWKOTPCHSA-N	415.493	5.037	30	20	HKED	
CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1OC(F)F	520478369	ZNLUCKPKHPRIBM-IBGZPJMESA-N	401.457	5.231	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1c(Cl)cccc1Cl	521746134	AYVBAQJVVZEWND-ZDUSSCGKSA-N	408.354	5.909	30	20	HKED	
C=CCN(C(=O)CCCCOc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1	521955371	ALLSLFDYINCKJL-UHFFFAOYSA-N	417.534	5.450	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Br	522133437	DMFFJRBODCTMIB-UHFFFAOYSA-N	416.319	5.019	30	20	HKED	
CC(C)(C)Oc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	522367734	XHDFCBGZKNRBHL-UHFFFAOYSA-N	400.478	5.567	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1	524305126	ZYYCUZSILYVIQK-UHFFFAOYSA-N	423.944	5.008	30	20	HKED	
COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccccc1Sc1ccccc1C#N	525058599	JTNMCZXIBOVWPY-ILBGXUMGSA-N	414.530	5.178	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)c1ccccc1	534641706	JBFCQKLDQKVCSI-NHCUHLMSSA-N	416.468	5.078	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	540329830	IBFCXMDSCAMUAQ-YJBOKZPZSA-N	401.963	5.414	30	20	HKED	
C=CCC[C@H](NC(=O)c1cnn(CCC(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	541295452	OCPNLPWAVZVYFU-INIZCTEOSA-N	419.369	5.292	30	20	HKED	
C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542000574	QLNOALPTJFXCNL-INIZCTEOSA-N	413.502	5.362	30	20	HKED	
CC[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	543495525	DNECYFOJJHRWDB-ZDUSSCGKSA-N	408.367	5.153	30	20	HKED	
Cc1cc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1	544012502	AFPRZKKQOWZZOL-LLVKDONJSA-N	420.231	5.054	30	20	HKED	
Cc1ccc2oc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)nc2n1	544075500	IHNIEYFTCWQYDN-UHFFFAOYSA-N	423.542	5.057	30	20	HKED	
N#CCc1ccc(CNc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1	544096490	PPSWTGJVWUKIDV-UHFFFAOYSA-N	401.363	5.710	30	20	HKED	
CO[C@H](c1ccc(F)cc1)c1noc(-c2cccc(COc3ccc(C#N)cc3)c2)n1	546516888	KVAFERGIRNCMRA-JOCHJYFZSA-N	415.424	5.062	30	20	HKED	
C=C(C)[C@H](Cc1nc(-c2cnc(Oc3ccc(Cl)c(CC)c3)cn2)no1)OCC	547219458	BFQLKKFSKKTPTC-SFHVURJKSA-N	414.893	5.058	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ncsc1C(F)(F)F	549196357	FHWFBIBSKNOLFQ-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
N#Cc1c(F)cc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)cc1F	552036614	HWDGGBHZFOIZIN-UHFFFAOYSA-N	418.399	5.092	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NC1(c2cccc(C#N)c2)CC1	557206325	HJTVTHNUFPDIMJ-CQSZACIVSA-N	407.926	5.046	30	20	HKED	
CC(C)(c1cccc(C(F)(F)F)c1)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1	560049831	UXLYEVRVYAMTJU-INIZCTEOSA-N	410.399	5.136	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F	561821324	VCGRMFMOTKNLPQ-CQSZACIVSA-N	423.391	5.145	30	20	HKED	
F[C@@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2ccc(OCC(F)(F)F)cn2)n1	568563550	CHBPQDCSWHQGEG-ZDUSSCGKSA-N	421.272	5.150	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c2)o1	575920993	JOXIZELVUUWGEG-MRXNPFEDSA-N	420.538	5.382	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N(C)Cc1ccc(C#N)cc1	576626144	ACNLAMGOMWODET-UHFFFAOYSA-N	404.333	5.097	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCc2cc(C#N)ccc21	586779005	YSLBAFKWBPXALB-KPZWWZAWSA-N	421.850	5.225	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCCC2	594689366	DBBAGAFWILFEHC-QGZVFWFLSA-N	406.551	5.419	30	20	HKED	
COc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)cc(Cl)c1OCC(C)C	602755154	XBSPZUGDUZRZAT-UHFFFAOYSA-N	404.919	5.058	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cn2)c1	603691130	BPZMLTASLJENGZ-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1	603757072	IUCSBNHVRYAFTC-UHFFFAOYSA-N	423.310	5.421	30	20	HKED	
CCSc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	603814627	UNOZOQLNLHFPCC-UHFFFAOYSA-N	402.519	5.696	30	20	HKED	
Cc1sc2nc(S[C@H](C#N)Cc3ccccc3)n(C3CCCC3)c(=O)c2c1C	604065773	GNDAYVVNPTYFGW-SFHVURJKSA-N	409.580	5.417	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	604130525	PNYNNRSRSUPYQQ-CQSZACIVSA-N	421.419	5.169	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2)c1	604690968	SWBVBZCRECYGBZ-QHCPKHFHSA-N	403.441	5.176	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(-c4cccs4)n3)c2)cc1	609176603	PJRZIHFKHVQVJS-UHFFFAOYSA-N	417.515	5.717	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1	609388090	ZYUBFJFLNJOFIM-STQMWFEESA-N	408.354	5.684	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](C)c1cc2ccccc2o1	609501270	CYNMROBWASNCAS-KRWDZBQOSA-N	411.461	5.715	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	609523243	GREHPOWHFIAFQA-KEYYUXOJSA-N	413.226	5.497	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1Cc1ccccn1	613403854	WSWGZOBXZUMHFI-GOSISDBHSA-N	420.925	5.301	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c2ccc(Br)cc2n1	614381405	KYZUKWZXKCTFHX-OAHLLOKOSA-N	422.307	5.406	30	20	HKED	
Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1	614605464	FVNXBDSSUCIFPA-UHFFFAOYSA-N	400.463	5.363	30	20	HKED	
C[C@H](c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	619726817	BWZXOALHESZZMB-JLLWLGSASA-N	409.292	5.709	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	644786605	ARXIACPQGHMCTI-VIFPVBQESA-N	403.307	5.152	30	20	HKED	
C[C@H](CCc1ccc(F)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	671740200	RAUNTLLNBZXHPH-RAIGVLPGSA-N	403.357	5.785	30	20	HKED	
CCOCc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1	726430035	VDIYZUILXAXNBA-UHFFFAOYSA-N	413.109	5.204	30	20	HKED	
Cc1ccccc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccccc1	726571314	SBVZBFRMLMLFEB-UHFFFAOYSA-O	406.918	5.131	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)OCc2nc(-c3ccsc3)oc2C)cc1OC	726804459	ZKRVDLQEKNHOJH-SOFGYWHQSA-N	411.479	5.042	30	20	HKED	
Fc1ccc(-c2nc3c(s2)C(=NNc2ccc(Br)cn2)CCC3)cc1	727685089	ZHQZYEMBBJEQMY-UHFFFAOYSA-N	417.307	5.259	30	20	HKED	
CC(C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1	728687890	OXFLIKPZDWHQPZ-UHFFFAOYSA-N	417.484	5.528	30	20	HKED	
CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	729571133	OZQXSLKXGWIQJU-UHFFFAOYSA-N	423.476	5.200	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1	729576577	WYDTUEYSVCJIGH-UHFFFAOYSA-N	406.486	5.102	30	20	HKED	
CCc1ccc([C@H](NC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)C(C)C)cc1	733639136	BPTOFCMPULRYNP-ZJSXRUAMSA-N	423.557	5.135	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2[C@H](CC)c2ccccc2)c1	733804889	KVHUQLZMAWJGNJ-JRFVFWCSSA-N	405.542	5.235	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2SC(F)(F)F)c1	733843934	PKXDNVQTNDJQML-AWEZNQCLSA-N	409.433	5.301	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(OC[C@@H]4CCCO4)cc3)c2)s1	740014874	XPIUKRSSTHGRTB-QFIPXVFZSA-N	404.535	5.134	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1	744037784	DBBHZGYOYXITEZ-QMTHXVAHSA-N	408.832	5.948	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038313	QDBKPXGDEFMWPQ-AAEUAGOBSA-N	407.342	5.430	30	20	HKED	
COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OCCCC#N	747472803	CRFNHXKRQSEZOC-XSFVSMFZSA-N	424.547	5.092	30	20	HKED	
Cc1nc(Cl)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	748538675	FYXHWFBBNITLMQ-UHFFFAOYSA-N	405.854	5.382	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc2cc(O)ccc2c1	748787640	CWOVFXNOJZBBOM-UHFFFAOYSA-N	423.398	5.252	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1	753121698	CPDRXQHZXMLBNR-AWEZNQCLSA-N	417.456	5.357	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnc(Cl)c(Br)c1C	760052489	NCUDRKITNFUUGZ-UHFFFAOYSA-N	424.726	5.035	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1C	764705359	VFRDECMHNSYIHS-GOSISDBHSA-N	419.472	5.284	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cc(Cl)sc1Cl	764752813	WBCLHLWBPZHFMS-UHFFFAOYSA-N	411.097	5.383	30	20	HKED	
CC[C@@H](C(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(C)noc1C	764901837	DQRRVRBQROQIMP-MRVPVSSYSA-N	413.289	5.104	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1	768765100	JBXMZGOHADCGHQ-FQEVSTJZSA-N	424.287	5.325	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(Cc4ccc(Cl)cc4)CC3)n2)cc1	771259119	OOLWFAZWPBSBTP-LJQANCHMSA-N	422.937	5.671	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1	771275388	CSWXUAAUIUBNFU-QFIPXVFZSA-N	421.456	5.184	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)Cc2ccc(C(F)(F)F)cc2)ccc1OC	772985666	LUHMNKANTGGBFQ-BEFAXECRSA-N	406.448	5.116	30	20	HKED	
CN(C)[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1c(F)cccc1Cl	778606526	GRSQFJAMVYLBMQ-GTNSWQLSSA-N	422.312	5.221	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1	780673671	YPNNLFAHXMBSKZ-KSSFIOAISA-N	414.303	5.109	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(C(F)(F)F)cc1	786870022	HTHNGALMMQLQHY-HRAATJIYSA-N	417.475	5.593	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)n1	788581437	WBAQNSRXNFHNMZ-UHFFFAOYSA-N	424.957	5.375	30	20	HKED	
CC(C)(C)c1cnc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)s1	790602039	ZWWJKUAEFXTCCO-OUKQBFOZSA-N	403.569	5.053	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	793756510	NJVPFVWQTFFIFQ-UHFFFAOYSA-N	417.509	5.143	30	20	HKED	
COc1cc(OC)cc(Oc2cccc(CN[C@@H](C)c3ccc(OCC#N)cc3)c2)c1	797008185	HWDDHGFAYREFHA-SFHVURJKSA-N	418.493	5.249	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)s1	797568429	RNUJOKXOBCNQOC-HRYODUOUSA-N	412.864	5.916	30	20	HKED	
Cc1ccc(-c2cc(C(=O)OCCCC3(C#N)CCOCC3)c3ccccc3n2)cc1	800082220	KSLLJBFBSQTPSI-UHFFFAOYSA-N	414.505	5.468	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cc(C#N)ccc2Cl)c2ccccc2)c1	803833297	SDAKGCQMHCAPNC-QFIPXVFZSA-N	418.880	5.365	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)nc3Cl)cc2)ccn1	811612916	NINFRVNHJDHGQI-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)ccn1	813218728	SIIJUTXZNIDYHA-CYBMUJFWSA-N	401.215	5.606	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN[C@@H](CCCC#N)c1ccccc1	816627308	KNDZKZVBGYPWQY-QHCPKHFHSA-N	420.988	6.233	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@H](F)c1ccc(C(F)(F)F)cc1	857478451	JQPVBBZJYHKHCF-LSDHHAIUSA-N	411.292	5.665	30	20	HKED	
N#Cc1c(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)[nH]c2ccccc12	904492771	JHXCGRQLYXHLML-UHFFFAOYSA-N	416.444	5.155	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)/C=C\c1cnc2ccccc2n1	914520750	OZTANRXMKKBBCD-QBFSEMIESA-N	422.463	5.196	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	914520793	PVLNKVKBNIBRLU-KPKJPENVSA-N	415.424	5.161	30	20	HKED	
C=CCN1C(=O)/C(=C\c2c(C(C)C)nn(-c3ccccc3)c2Cl)SC1=S	914558351	UKPIOVMGIRBIBH-RVDMUPIBSA-N	403.960	5.036	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1Cc2ccccc2S1)c1nc2cc(C(F)(F)F)ccc2s1	915103681	BOCMXNGLUOKUCJ-BLLLJJGKSA-N	404.438	5.208	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1	915352859	ODEOCWCHZXMKIV-YADHBBJMSA-N	417.509	5.840	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915359003	HHOJOMQVASSKAK-QHCPKHFHSA-N	411.530	6.221	30	20	HKED	
Cc1cc2occ(CC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)c2cc1C(C)C	916883997	XPKWNCDHQTWBHG-FQEVSTJZSA-N	408.885	5.408	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	920104229	MWQGYJVXKMNZTM-UWJYYQICSA-N	423.472	5.217	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(OC(F)F)cc3)n2)cc1	920142527	QFEUGGDCYSBCHY-GOSISDBHSA-N	423.444	5.092	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(C3SCCCS3)cc2)sc2c1CCCC2	921189690	QUMGHIXPFJZNQC-UHFFFAOYSA-N	400.594	5.620	30	20	HKED	
C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1	1790228665	WJEGCYCWHWEJMD-GFCCVEGCSA-N	423.365	5.059	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1	1791588435	OOZDZACTOURZKP-UHFFFAOYSA-N	402.416	5.029	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)Cc3ccc4ccccc4c3)s2)cc1	14621406	MEUAXLIUVOERMN-UHFFFAOYSA-N	416.531	5.036	30	20	HKED	
C=CCn1c(SCC(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1cccc(C)c1	21334046	IRAZRPGOLKOGCM-NRFANRHFSA-N	420.582	5.189	30	20	HKED	
Cc1c(/C(O)=N/c2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)sc2cccc(F)c12	22302015	FKUXXAWMKBKDNA-VXGBXAGGSA-N	419.547	5.051	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(F)cc1	26040477	WZJKCJQSKAWQIN-GFCCVEGCSA-N	413.503	5.235	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C#N	30477523	KXJFVUYTEHGACI-NSHDSACASA-N	405.445	5.062	30	20	HKED	
C=CCNC(=O)Nc1ccc(N[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1	45850748	SPPRVPLAYSKRER-QHCPKHFHSA-N	414.509	5.094	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1	55429640	JOZGWHUODNBHIY-UHFFFAOYSA-N	415.474	5.116	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3ccccc3)CCC2)cc1	63160458	CZQZQNAXZYIPDK-UHFFFAOYSA-N	411.505	5.533	30	20	HKED	
N#Cc1cccc(/C=C2/CN(C3CCCCC3)C/C(=C/c3cccc(C#N)c3)C2=O)c1	96314579	PGAHWBBCRMUAMG-MQDDAKQZSA-N	407.517	5.114	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2cccc(Br)c2)cc1	97529635	BEVNMIMUMHDGCU-OAHLLOKOSA-N	403.345	5.185	30	20	HKED	
C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc(C#N)c1	237407242	LZUYKDPFNOEZTM-OAHLLOKOSA-N	407.857	5.763	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)CSc3ccc(C#N)cc3)cc2)cc1	303252278	CHWRURMAOKYJDK-UHFFFAOYSA-N	418.518	5.270	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1cccc(Oc2ccccc2)c1)c1ccccc1	303386955	XLDPZFAPOAYIIC-UHFFFAOYSA-N	413.477	5.144	30	20	HKED	
C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2-c2ccccc2C#N)CCN1Cc1ccccc1	303781780	SOUGUAMFIPZONV-ZJSXRUAMSA-N	423.560	5.350	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	426062149	PAZFNLYUVAQDJX-UHFFFAOYSA-N	409.873	5.460	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)n1	428917554	XONDHNGAWLFMOA-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(C)c1	432769699	SZCXUKKVUFLFEH-XMSQKQJNSA-N	406.530	5.080	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1OCCc2sccc21	433139939	ZAYFWHYLKZRGNW-QRQCRPRQSA-N	419.506	5.236	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@@H](CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	433899023	WEPBPYZTWLLLSU-XJKSGUPXSA-N	408.386	5.697	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](CC(F)(F)F)C1	434240059	PGCLJGMGGYYSSH-MRVPVSSYSA-N	408.264	5.530	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	437616425	SIJGWZBJLVCRSH-GGAORHGYSA-N	422.488	5.798	30	20	HKED	
N#Cc1cc(NC(=O)Nc2cccc(CC(F)(F)F)c2)ccc1OCC(F)(F)F	437875089	SBXJNAFASUPWLM-UHFFFAOYSA-N	417.309	5.248	30	20	HKED	
Cc1ccnc(Oc2cc(N[C@H](C)C(=O)N(CCC#N)c3ccccc3)ccc2C)c1	439627085	ZYJIJAXBDUTAJO-HXUWFJFHSA-N	414.509	5.238	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cs1	442507207	BHJFWFUFODHOND-KRWDZBQOSA-N	402.504	5.127	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)s1	443873333	CJSYZSRPRWHVPH-GFCCVEGCSA-N	409.536	5.192	30	20	HKED	
C=CCOCCCC(=O)Nc1c(C)cccc1-c1nc2cc(F)ccc2n1C(C)C	443877640	JQIZGONIRUGPCA-UHFFFAOYSA-N	409.505	5.653	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	444039154	KXIJMSCCLAPPJM-UHFFFAOYSA-N	424.548	5.755	30	20	HKED	
CCC[C@@]1(COC)CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	446117121	NSZBIQPOXQZXJQ-VWLOTQADSA-N	421.541	5.145	30	20	HKED	
C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1csc(C)n1	460789799	BKCJZTUJVLZOQH-OAQYLSRUSA-N	418.570	5.033	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C	460955531	YBTMBVJUHRXFBJ-SCLBCKFNSA-N	407.345	5.136	30	20	HKED	
CCc1c(NC(=O)[C@@H](C)c2cccc(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1	462333644	QLKYXXCQYSEXQW-AWEZNQCLSA-N	412.415	5.067	30	20	HKED	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	464365755	LZAGMWUYAFDCIX-INIZCTEOSA-N	417.896	5.037	30	20	HKED	
CC[C@@H](C)[C@H](NC(=O)N(CCOC)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	466067548	NILSIFGNTZRUHT-VGSWGCGISA-N	413.949	5.157	30	20	HKED	
CN(C)Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	468439122	OLOYPLAUOJJSDF-JOCHJYFZSA-N	403.913	5.309	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1	470685532	XTULJBLNTVAGOI-LEWJYISDSA-N	420.900	5.114	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccn2)cc1	471283541	SLEDMSKOYLNTML-FDDCHVKYSA-N	416.550	5.553	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F	473779932	GUBJLTCTYGEHTN-UHFFFAOYSA-N	418.394	5.250	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)CC1(O)CCCC1	474636492	USWCLFSVRMRAFI-IBGZPJMESA-N	423.582	5.420	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1	475584026	XPUAMOAZKOFJQJ-HXUWFJFHSA-N	419.569	5.212	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1	475589024	JKPDBYRNENMSQE-FQEVSTJZSA-N	415.468	5.033	30	20	HKED	
COc1ccc(-c2ccncc2)cc1CNc1ccn(-c2ccc(Cl)cc2C#N)n1	479472680	ULPHOJLEHURMNN-UHFFFAOYSA-N	415.884	5.080	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1csc(C(C)(C)C)n1	481380415	YQZNKMXPSDFKLH-UHFFFAOYSA-N	414.600	5.398	30	20	HKED	
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	482993353	MKEKGZXLHKVVJB-UHFFFAOYSA-N	414.490	5.123	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@H](C#N)c1nccc2ccccc12	483206649	CLYDAIACBPABMI-GOSISDBHSA-N	401.853	5.178	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	483218626	QDEWBKAVCXQFBZ-YWZLYKJASA-N	401.432	5.098	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	483709463	JSMYOFLRXNAHIR-LBPRGKRZSA-N	415.902	5.382	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	484567655	OAFFFHCMTIWDPN-QGZVFWFLSA-N	406.507	5.948	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1	487214453	ZFLWSAPUYCVEQQ-RUZDIDTESA-N	409.489	5.710	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)COC2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	492539646	NKMITPAPROWLBM-KBTRNUBCSA-N	404.535	5.131	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccnc(SCC(F)(F)F)c1	495860599	BJRXQPUXVNMYPR-UHFFFAOYSA-N	417.412	5.048	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	496985342	PZWMSTDKWLUKEF-UHFFFAOYSA-N	409.342	5.198	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	500759710	QPURCBUBLXWZSA-UHFFFAOYSA-N	412.405	5.301	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)CSc3ccc(C#N)cc3)s2)cc1	502498320	VQEXFFHIFJDLQU-HNNXBMFYSA-N	407.564	5.268	30	20	HKED	
Cc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c(C#N)c(C)c1C	505314080	XUOCLOOEHBIJHK-UHFFFAOYSA-N	419.554	5.054	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)N3CCC(C)(C#N)CC3)cc2)c1	506581889	ZNFFHSGASWRMJS-UHFFFAOYSA-N	405.542	5.855	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](COc4ccccc4)C3)cc2)c1	506644674	WATPLDAHNREZKZ-HXUWFJFHSA-N	413.477	5.283	30	20	HKED	
O=C(CC1(C(F)(F)F)CC1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	507153240	FIRNOGLHBIMAQL-LLVKDONJSA-N	407.276	5.548	30	20	HKED	
COc1ccc2occ(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2c1	507642200	FJPYVIHONXFRMA-UHFFFAOYSA-N	412.445	5.453	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1	513474844	HUYPEHRRRODMTB-UHFFFAOYSA-N	409.445	5.408	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)NCCc2cccc(Cl)c2Cl)o1	515574924	RRSNBSLZMOYZAO-UHFFFAOYSA-N	415.276	5.010	30	20	HKED	
F[C@@H](c1ccccc1)c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1	515917631	QRHHRDNTYZYXSA-LBPRGKRZSA-N	421.272	5.150	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc2c(c1)OCCO2	517532594	MYWWMXZVFKSSKK-RDJZCZTQSA-N	411.527	5.125	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc(C)c1OC(F)F	518091112	DPJSHDNVLTYNEQ-CYBMUJFWSA-N	405.351	5.140	30	20	HKED	
Cc1ccc(C2(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CCOCC2)cc1	520315690	HKCGXXAHFFUCDZ-UHFFFAOYSA-N	412.489	5.346	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc(C#N)cc1	525557269	GQNUEBJQXCMMLW-ZDUSSCGKSA-N	412.276	5.543	30	20	HKED	
C=CCOc1ccc(CNc2cccc(-c3nnc4n3CCCCC4)c2C)cc1OC	532748088	SIGQJVWKEGVWEM-UHFFFAOYSA-N	418.541	5.165	30	20	HKED	
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccccc1CCC(F)(F)F	535502335	UWKDFOLXDZMPAR-UHFFFAOYSA-N	409.301	5.514	30	20	HKED	
N#Cc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(OC(F)F)c1	540520492	QUISCCCWZPMDMK-OAHLLOKOSA-N	424.291	5.572	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541155982	HEUVDEAYMHEIOB-RBUKOAKNSA-N	413.521	5.697	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)NCc2cccc(C#N)c2)c1	541335928	GEFBSAQHNHQIEF-DQEYMECFSA-N	411.505	5.007	30	20	HKED	
COc1ccc(-c2nc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)co2)cc1	542011988	KEBBVVNIHSUPGG-GOSISDBHSA-N	409.489	5.740	30	20	HKED	
FC(F)(F)c1cc([C@@H](NCCCn2ccnc2)C(F)(F)F)cc(C(F)(F)F)c1	542124085	UGTRHDPLVUDVGN-CYBMUJFWSA-N	419.291	5.204	30	20	HKED	
C=CCc1cc(CNc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)cc(OC)c1O	551452305	OQBMELUGMZQECJ-UHFFFAOYSA-N	416.949	5.313	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(OCc2cccnc2)cc1	555600836	ZLQGATUSFCCFDS-HNNXBMFYSA-N	406.873	5.068	30	20	HKED	
Cc1c(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)sc2ccc(C#N)cc12	557198899	ZBYDCHKNDWPLJX-MRXNPFEDSA-N	402.441	5.232	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	558533232	SCRYZJRMRZZAAS-SFHVURJKSA-N	422.834	5.223	30	20	HKED	
Cc1csc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1C#N	561836491	HKXCSDNVPSYMTE-UHFFFAOYSA-N	416.481	5.101	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)CC2)c(F)c1	562075026	MLDQUZMFAFWNEV-UHFFFAOYSA-N	423.488	5.094	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	577100254	DAUVGFLTMRQNJB-KRWDZBQOSA-N	412.518	5.806	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCOc4c(Cl)cccc43)cc2)ccn1	578055001	WDIYRFOEMZQMML-HXUWFJFHSA-N	420.856	5.044	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)cc1	583050232	ODAXSWDAGARNCA-QGZVFWFLSA-N	409.873	5.026	30	20	HKED	
CCOC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	584441688	ZZRBAOKFKOGLIV-KRWDZBQOSA-N	410.882	5.130	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	588993789	KGBAHLAQECFLQK-JOCHJYFZSA-N	416.481	5.369	30	20	HKED	
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	590257910	QFNOOHMDUMDPGA-APTRMMRNSA-N	410.533	5.859	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1	608918941	VXCJGIDCVSAYST-OAQYLSRUSA-N	418.585	5.053	30	20	HKED	
CSCc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	608970428	FJUOJURQFRZQOW-UHFFFAOYSA-N	404.539	5.196	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)N[C@@H](C)C(=O)Nc3ccccc3C#N)cc2)c1	609041177	DYPORWFKJWRWTK-UXHICEINSA-N	413.521	5.124	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)NC3CCC(c4ccccc4)CC3)o2)cc1	609056242	FXQLHPMPNPEAIZ-UHFFFAOYSA-N	400.478	5.186	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1ccccn1	609078539	XJVBPLFGOCVTIM-SFHVURJKSA-N	400.482	5.066	30	20	HKED	
Cc1ccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1	609080181	ROKXTMDDATXCFN-UHFFFAOYSA-N	409.873	5.056	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(Cl)c1	609371172	LNBGPCIFVFPUSU-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
Cc1nn(-c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c(C)c1Cl	609376583	FYAXLOYEKYTJPU-AWEZNQCLSA-N	424.957	5.647	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C(=O)NCc1ccccc1)c1ccccc1	609387333	YCDUYNLJVRFVBI-DVECYGJZSA-N	415.562	5.408	30	20	HKED	
Cc1cccc(C)c1OCCSCC(=O)Nc1ccccc1SC[C@H](C)C#N	609387625	ZKRMOOTYTZOOHI-MRXNPFEDSA-N	414.596	5.306	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1	609435046	MSSJGULVKDEMGU-LSDHHAIUSA-N	421.488	6.325	30	20	HKED	
N#C[C@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	609462381	ADFUMEHNFFEJAJ-HNNXBMFYSA-N	418.362	5.197	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)oc1C	609501006	BPMQPNDRTXOXGL-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCc2ccccc2C1	609501217	AJOCEHYSXNQJRW-HSZRJFAPSA-N	411.505	5.155	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1	609789099	GOTVPWLCLKMLBE-GFCCVEGCSA-N	417.412	5.107	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1	611355892	LMYLYTMKLWUYPC-FCHUYYIVSA-N	420.578	5.129	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1Cl	611356405	ZUPDLFZCYQUSRW-ZWKOTPCHSA-N	424.928	5.283	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	614250672	PNKOPSFPYCBQQS-ZBEGNZNMSA-N	415.337	5.241	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	670060654	IUSFKRLNSKTMQD-DTORHVGOSA-N	423.279	5.003	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1c(F)c(F)cc(F)c1F	674653863	QEKZEVPHEFWUFY-SECBINFHSA-N	408.317	5.164	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc2cc(C(F)(F)F)ccc2s1	677559489	MEWYMEVUMFQIPT-AWEZNQCLSA-N	415.371	5.492	30	20	HKED	
CN(CC#N)Cn1nc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)oc1=S	725772606	TVOKQQBIZRECEC-UHFFFAOYSA-N	421.913	5.154	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCSc1ccc(Cl)cc1	726755779	WSDCZLGTHXXIKU-UHFFFAOYSA-N	409.942	5.348	30	20	HKED	
Cc1cc(-c2cc(C(=O)O[C@@H](C)c3cccc(C#N)c3)c3c(C)noc3n2)c(C)o1	727640135	VWGAJJDXNQCLNQ-AWEZNQCLSA-N	401.422	5.198	30	20	HKED	
Cc1cc(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)c(C)o1	727992595	SUVQADYJOIPGPV-UHFFFAOYSA-N	419.462	5.316	30	20	HKED	
CC(C)[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	728768501	FCLWKSWSXSZIHK-IAGOWNOFSA-N	410.489	6.094	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCCCc1cccs1	731545759	DURZWCDQUXJNJD-INIZCTEOSA-N	418.946	5.169	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccccc1	731645756	RUMGMAFRYQFAPF-NRFANRHFSA-N	412.320	5.455	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	731978359	JFXRQHIRNIFMPC-UHFFFAOYSA-N	417.852	5.088	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)CSCc1ccc(C#N)cc1	733070509	DKBAFAMPMXGMHM-MRXNPFEDSA-N	408.548	5.528	30	20	HKED	
N#CCOc1ccc(COC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	735165887	SKENAGOCJSRHLA-UHFFFAOYSA-N	418.836	5.263	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)Nc1ccc(OC(F)F)c(Cl)c1	735621182	HXYQFLMCHQEEHV-UHFFFAOYSA-N	423.337	6.041	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	741111262	JAEUGVSOQBBBQV-HNAYVOBHSA-N	408.548	5.484	30	20	HKED	
O=C(/C=C\c1ccc(-n2cnc3ccccc32)cc1)c1c(Cl)nc2sccn12	741843512	GZGQUWBEYTUQKI-YFHOEESVSA-N	404.882	5.284	30	20	HKED	
Cc1cc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2Cl)ccc1F	743103160	PKUPJPGCQSEZLM-QFIPXVFZSA-N	423.875	5.601	30	20	HKED	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)c(OC(F)F)cc1C	743281642	DDWKBTLFNPHDCS-RQZCQDPDSA-N	416.474	5.182	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c[nH]c4c(C)cccc34)n2)cc1	744061718	NMOYQQUSDWFCKN-FQEVSTJZSA-N	415.518	5.418	30	20	HKED	
Cc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-]	747003190	ANDRAOZQQYXFIA-KTKRTIGZSA-N	410.433	5.047	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1	747100048	XDSDEVUBEWKABF-RUZDIDTESA-N	405.492	5.388	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)c1	747562325	SOGPJHLQXGPNOX-VWLOTQADSA-N	408.501	5.237	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(Cc2ccccc2OC)C2CC2)c1=S	747789110	UIGRJLFBJGQFGH-UHFFFAOYSA-N	424.545	5.037	30	20	HKED	
N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1	754528215	IDOAIHWTEWFHFU-CYBMUJFWSA-N	401.249	5.364	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1	757196996	CNAWYHFHTMXOJO-FQEVSTJZSA-N	420.856	5.225	30	20	HKED	
O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1nc(Cl)ccc1F	759889504	HUKGZKMRODIHJE-LBPRGKRZSA-N	401.665	5.353	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCN(Cc2ccccc2)C1	762214139	LWIMFDGFUGTVHR-IZZNHLLZSA-N	424.548	5.080	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1	767867534	CQSAMOHTLFTCLS-OAQYLSRUSA-N	401.551	5.001	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c(Cl)c1	768996175	ORWKXJUFMPGCOR-LJQANCHMSA-N	411.914	5.041	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c(Cl)c([N+](=O)[O-])c1	770000504	FDMGEKFNDDWXKF-UHFFFAOYSA-N	404.131	5.044	30	20	HKED	
CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccc(Cl)c(Cl)c1	772978855	IAUQTDSAQDYYKN-APWZRJJASA-N	407.341	5.924	30	20	HKED	
N#CCc1ccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1	776113047	AKJKFNLAUVPHJW-UHFFFAOYSA-N	415.276	5.390	30	20	HKED	
N#CC1(c2ccc(COC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cc2)CC1	777147824	MNSLFCAKJBJKRS-UHFFFAOYSA-N	406.869	5.226	30	20	HKED	
C=CCSc1ccccc1C(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1	777163442	JVZIJBSXKPOUTC-HSZRJFAPSA-N	419.546	5.007	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1	779134455	GXSSCNOFSXPSTL-UHFFFAOYSA-N	410.468	5.047	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	780668902	GFVUCJZAFZCMGG-IJLUTSLNSA-N	423.357	5.008	30	20	HKED	
N#Cc1ccc(C2(C(=O)OCc3csc(Cc4ccc(Cl)cc4)n3)CC2)cc1	781401439	PABBRKMWLSAKFM-UHFFFAOYSA-N	408.910	5.034	30	20	HKED	
N#C[C@@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc(-c2ccncc2)cs1	781784734	HLYASPWKNXDIFD-SFHVURJKSA-N	409.470	5.319	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3scnc3C3CC3)cc2)cc1	782305332	HLHIGIUPSMRLII-SEYXRHQNSA-N	424.547	5.026	30	20	HKED	
C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1	782487775	LHBREUYULTWPLU-AWEZNQCLSA-N	405.841	5.278	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	783356613	DWSXZJGDSIJNDD-KRWDZBQOSA-N	412.898	5.188	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1	785470259	YRDXKVNROVWBSJ-LJQANCHMSA-N	414.431	5.066	30	20	HKED	
CCOc1c(Cl)cc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1Cl	788524602	YQAXTXOEIJWDRH-UHFFFAOYSA-N	416.312	5.176	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n1	788557303	IQMZMNWJJNLIQE-UHFFFAOYSA-N	408.889	5.016	30	20	HKED	
CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c1	794587818	QAEQXNAZLKOBQU-CYBMUJFWSA-N	422.959	5.128	30	20	HKED	
C=CCC[C@H](Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccco1	796934244	JZXYMUAYAMXYQK-IBGZPJMESA-N	400.523	5.168	30	20	HKED	
Cc1noc(C)c1C(C)(C)C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	797504315	AXVAYSMIIQDXTO-UHFFFAOYSA-N	402.494	5.012	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)s1	797567048	XSKNBLSEEVTGBM-CQSZACIVSA-N	418.444	5.135	30	20	HKED	
COc1cc(COC(=O)C[C@@H]2CCC(F)(F)C2)ccc1OCc1cccc(C#N)c1	797894037	UICUOQVAAIHVOL-INIZCTEOSA-N	415.436	5.015	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2s1)c1csc(-c2cccs2)n1	800384027	MJCXHMNCYJSIMH-LBPRGKRZSA-N	409.561	5.635	30	20	HKED	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1SCC#N	800566677	KBHCCFHAOUSJRG-UHFFFAOYSA-N	414.490	5.106	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1	801691375	MECAYPKQGIZGFX-LJQANCHMSA-N	409.379	5.364	30	20	HKED	
COc1cc(/C=C/C(=O)c2c(F)cccc2Cl)cc(OC)c1OCC(F)F	809159932	ZJPVNCWXLMKTIN-VOTSOKGWSA-N	400.780	5.036	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc(Cl)sc2[nH]1	810533841	XHDCIMHLBALZGY-NSHDSACASA-N	412.685	5.151	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ccccc3Cl)n2)cc1	810549792	PYTKYVIXOWXSNW-SFHVURJKSA-N	405.910	5.534	30	20	HKED	
C#C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1	811516997	DXKDKJFOIMVSOZ-JOCHJYFZSA-N	409.316	5.710	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1	811869312	KCLVCSAITQDSQX-CQSZACIVSA-N	406.939	5.126	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(SC(F)F)cc1	914744557	WSVFRVDRJSPNSZ-UWVGGRQHSA-N	421.353	5.641	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1	915088169	IAQRCFDLBYYKKT-HSZRJFAPSA-N	409.514	5.647	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1C	915351926	DJRBKKVZHQLZNQ-VWLOTQADSA-N	424.548	5.313	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	916932127	PXIAOZCXIBNJGT-PFWMLDTASA-N	401.293	5.279	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cs1	917560059	GIDXCAKHGNOPOS-JLHYYAGUSA-N	415.518	5.822	30	20	HKED	
Cc1ccccc1OCCCN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	918035913	OBLKXUCIIHQBNN-DEOSSOPVSA-N	413.521	5.583	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	920104228	MWQGYJVXKMNZTM-UTKZUKDTSA-N	423.472	5.217	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(Cl)cc3)n2)cc1	920140323	BRXMZAHLURJISC-SFHVURJKSA-N	419.893	5.175	30	20	HKED	
Cc1ccc2c(c1)C/C(=C/c1cc(Br)c(O)c(Br)c1)C2=O	921263993	MYKCFBMTPWNVJG-XGICHPGQSA-N	408.089	5.048	30	20	HKED	
CCCC1(Cn2c(CCOc3ccccc3)nnc2N2CCC(CC#N)CC2)CCC1	1695135490	XDTRFNLYZRPTEW-UHFFFAOYSA-N	421.589	5.000	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C34CCC(CC3)CC4)CC2)C1	1804866349	VMLQHWDKBDRILD-UHFFFAOYSA-N	414.634	5.180	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccccc3-c3ccccc3C#N)o2)cc1	7107450	CUZNXPRYPQJDHO-QGZVFWFLSA-N	409.445	5.502	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(CC#N)c2)cc1	46155862	LQRVKXVPPAAZCB-UHFFFAOYSA-N	411.505	5.555	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1c(C)cccc1C	49723737	WXNLFONTQFTZSP-UHFFFAOYSA-N	401.466	5.078	30	20	HKED	
N#CCc1ccc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1	58573113	FYZYWLHTJUXAFY-UHFFFAOYSA-N	402.841	5.104	30	20	HKED	
Cc1ccc(Sc2ccc(C(=O)N(CCC#N)Cc3ccco3)cc2[N+](=O)[O-])cc1	60626084	HDCVGKOOEOOVJC-UHFFFAOYSA-N	421.478	5.204	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1	78669037	VCOCNLNQUYPKCJ-UHFFFAOYSA-N	411.914	5.572	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1	303419190	XUIITZAWHGHHAT-IBGZPJMESA-N	419.550	5.172	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	303587595	LQIQWYGCSRHLDD-ZIAGYGMSSA-N	421.312	5.528	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](c2ccccc2)O1	409811359	WJJGZSMRDZCRGN-MHECFPHRSA-N	413.477	5.344	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)cc1	409944626	BBDIOCPNUQTFQY-UXHICEINSA-N	415.320	5.039	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)c(Cl)c2)nnc1-c1ccoc1C	428079986	XWKOPHZJZMZWSW-CYBMUJFWSA-N	417.918	5.058	30	20	HKED	
C=CCC(C)(C)CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1	432590541	ZXTSGLAQTUXRLM-QGZVFWFLSA-N	413.587	5.310	30	20	HKED	
Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1	435560737	XCKXGPSAWMUHNY-UHFFFAOYSA-N	414.509	5.283	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(Cl)c1	435610666	LQQIICXCYAPYIH-NSHDSACASA-N	414.840	5.098	30	20	HKED	
CC(C)(C#N)CCCC[S@](=O)Cc1csc(COc2ccc(Cl)cc2)n1	436103064	MPSPWIBWVGXVRR-SANMLTNESA-N	410.992	5.344	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)CC2)c1	438640304	GIVMNEYLEGMNLB-UHFFFAOYSA-N	423.488	5.094	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438651521	VHQSMZBGYDOQRG-UHFFFAOYSA-N	419.456	5.552	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@H](C)c2c(F)cccc2F)cnn1-c1cccc(C#N)c1	439697442	SSAHIXFENRFZBI-OAHLLOKOSA-N	423.467	5.200	30	20	HKED	
CC[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ncc(-c2ccccc2)[nH]1	444024752	RKNRUBVBRLIMBX-OAQYLSRUSA-N	411.509	5.216	30	20	HKED	
COc1ccccc1[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1Cl	446039918	SIWRQNFAFSMBRF-OAQYLSRUSA-N	412.823	5.018	30	20	HKED	
N#CCCN(C(=O)Cc1csc(-c2cccc(F)c2)n1)C12CC3CC(CC(C3)C1)C2	460474412	XAGZWPARNYYVKU-UHFFFAOYSA-N	423.557	5.203	30	20	HKED	
CN(C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	460645629	AOXRFLVCSKHHMN-CFVMTHIKSA-N	414.365	5.582	30	20	HKED	
Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	462855912	WWUIPXOOWRSCGB-NRFANRHFSA-N	405.885	5.279	30	20	HKED	
N#Cc1cc2c(nc1NCc1ccc(Oc3ccccc3C(F)(F)F)nc1)CCC2	462901635	IGNKPEAZYAFXMW-UHFFFAOYSA-N	410.399	5.260	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	462918340	HLMILNOKDGTCKH-JTHBVZDNSA-N	414.530	5.360	30	20	HKED	
COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC(C)C	464242634	PAXYNZKWKWGILY-UHFFFAOYSA-N	418.518	5.758	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1	464814158	LDOZAJRJBDAPLV-MOPGFXCFSA-N	412.415	5.027	30	20	HKED	
C=CCn1c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1cccnc1	464888253	CXLXHEQYNBSUHA-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(-n2cccn2)c1	465210559	ZGRYNUFYVSWCSN-SFHVURJKSA-N	408.461	5.027	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	465855004	NEMQSCPWSVJEPP-RTWAWAEBSA-N	416.550	5.100	30	20	HKED	
CN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2	466171290	SWJLVSPRPSEDTL-ONTIZHBOSA-N	422.960	5.132	30	20	HKED	
N#CCSCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	466615261	DKTYJLMCXNWNON-UHFFFAOYSA-N	400.960	5.327	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccccc2OC)n1	470916747	CDIQLCHLHUZEKS-UHFFFAOYSA-N	421.566	5.415	30	20	HKED	
CC(C)(C)OC(=O)CCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1	471369542	GDLHZLGSAVROKD-UHFFFAOYSA-N	419.525	5.029	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccccc3-c3cc(F)c(F)c(F)c3)o2)c1	471636009	PYWINJLJSZFQHP-UHFFFAOYSA-N	406.367	5.305	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	472681891	AMXQFTCUYMVINU-UYAOXDASSA-N	409.873	5.098	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccccc1	474274937	XXDDLHFWYWTMSR-IBGZPJMESA-N	416.443	5.217	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	474963529	CQWBSVNIMIMCMC-GFCCVEGCSA-N	401.438	5.073	30	20	HKED	
C=CCCC1(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CC1	476064594	UZKAKGMRMKWTFL-UHFFFAOYSA-N	404.297	5.326	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnn(-c2cccc(Br)c2)c1	476120070	JQVORFNONQSJOC-UHFFFAOYSA-N	424.342	5.739	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(C(F)(F)F)c3)on2)c1	477611013	SDMIGGVTCOWSBE-UHFFFAOYSA-N	423.297	5.086	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1	479778827	QMUBQTVJOXAARS-URXFXBBRSA-N	414.530	5.217	30	20	HKED	
C[C@H](NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccc(C#N)cc1	481271295	SIHBXIANSWSGND-AWEZNQCLSA-N	422.941	5.164	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(OCc4ccccc4)CC3)c2)cc1	482074258	JDSQZUFFQGZWMV-UHFFFAOYSA-N	412.489	5.172	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C	482765687	AUAGGZCIGUQKQP-CQSZACIVSA-N	408.889	5.732	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nccc3ccccc23)c1	483207848	VNWUOJJGFHWLBW-XMMPIXPASA-N	404.469	5.573	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCCC#N)c1	483211133	TXEZFCFAZJIHCM-UHFFFAOYSA-N	413.499	5.278	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)[C@@H]1CCCc2nc(CC)sc21)c1ccc(F)c(F)c1	483316533	URTWKELQEUKQDX-IEBWSBKVSA-N	405.514	5.320	30	20	HKED	
CCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1C(C)(C)C	485985873	CEYPGXZSFBGFQG-UHFFFAOYSA-N	416.525	5.098	30	20	HKED	
N#CCCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2	486245542	RKPRXXYVAKFDDX-UHFFFAOYSA-N	419.308	5.034	30	20	HKED	
N#CCCN(C(=O)c1cccc(OCc2cscn2)c1)C12CC3CC(CC(C3)C1)C2	486578354	XGOAUOFAVQNEHK-UHFFFAOYSA-N	421.566	5.047	30	20	HKED	
O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccccc1	487164174	BOJDXFZUPMUIPA-CABCVRRESA-N	408.317	5.422	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1	487919461	TVJHBLSEGQEWGK-UHFFFAOYSA-N	406.407	5.334	30	20	HKED	
CC(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3SCC#N)o2)cc1	488783480	OEBIKEBFNMXXHA-UHFFFAOYSA-N	424.551	5.206	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccncc1	489429596	CMEQESMTPVENPY-KRWDZBQOSA-N	421.570	5.161	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C(F)(F)F	489761717	BDIBIQVOCJUDLR-YJBOKZPZSA-N	407.823	5.662	30	20	HKED	
N#CCc1ccc(NC(=O)c2cccc(OCc3ccccc3Br)c2)cc1	492352509	BRKHQAIDGMQJKR-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	497887784	DZPJHQROKDCISR-UHFFFAOYSA-N	402.788	5.225	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(C)n1	501325649	BRJIUMCPKCUPJE-CQSZACIVSA-N	418.305	5.319	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(C)=O)cc1	501969358	NUQJDFQWJTWXRM-UHFFFAOYSA-N	405.267	5.011	30	20	HKED	
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(COCC(F)(F)C(F)F)c1	502154203	IKCIJWRIQCDCKR-UHFFFAOYSA-N	423.328	5.304	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCCSc3ccccc32)cc1	502731416	SBPKOTNNVDDQIE-UHFFFAOYSA-N	400.503	5.280	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)cc1Cl	503291217	ZTGCUJOBYMYEDZ-PZJWPPBQSA-N	417.896	5.121	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1	505928402	NLOMHBOEZLVECV-GOSISDBHSA-N	416.333	5.349	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)n1	506084222	ZJFHPXIKFLAIKT-UHFFFAOYSA-N	408.552	5.041	30	20	HKED	
CC1(C#N)CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2F)CC1	507838820	BBEGGEMGMADQSH-UHFFFAOYSA-N	408.498	5.630	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	510675041	NNJNVKUKTZHIPS-HSZRJFAPSA-N	413.477	5.728	30	20	HKED	
Cn1cc(CN2CCC([C@@H](F)c3ccccc3F)CC2)c(-c2ccc(C#N)cc2)n1	511088460	CFIHKMDWGKFQLB-HSZRJFAPSA-N	406.480	5.021	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(F)cc1	511700362	XQVNZKBVYVWMBG-JOCHJYFZSA-N	400.409	5.146	30	20	HKED	
N#CCSCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	512140444	XCJNNKGAGYDNEV-UHFFFAOYSA-N	408.335	5.525	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1OCC	512981313	OGJCHXZNPUBZDE-SFHVURJKSA-N	421.522	5.273	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H](C)c1ccc(C#N)cc1	518372337	PWENNYMXXREHNB-IBGZPJMESA-N	409.489	5.640	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C	518451672	CSEZSUAYXHSQFM-SFHVURJKSA-N	418.566	5.673	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1	519908696	KQCBINWUYOXCNP-UHFFFAOYSA-N	414.431	5.285	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1cccc(C(F)(F)F)c1	520271691	BLTMQHXDTBWEOP-HXUWFJFHSA-N	420.394	5.039	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1	520938320	TYUVJIZEGBUMBU-ZIAGYGMSSA-N	405.470	5.565	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2c(Cl)cccc2Cl)cc1	521840716	HYAKEWZHIGIQQK-UHFFFAOYSA-N	418.324	5.129	30	20	HKED	
C[C@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	522840483	MYYNYAXCRHBZRO-NEPJUHHUSA-N	412.864	6.052	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)nc2ccccc21	524909371	QMBNCZIPQBSWGF-FQEVSTJZSA-N	420.447	5.418	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)cc1	526939253	XHZRGYSQFNAOQH-RBUKOAKNSA-N	415.320	5.039	30	20	HKED	
N#CCCn1cc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)c(-c2ccccc2)n1	532728287	RVFGTSLFSRVWAT-UHFFFAOYSA-N	422.536	5.276	30	20	HKED	
N#Cc1ccc(Cc2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)cc1	533741749	LGARXPQWUMGDNF-UHFFFAOYSA-N	421.485	5.385	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](CC)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	533825030	QQMHNEATWMVTFL-ZWKOTPCHSA-N	409.452	5.768	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccccc1CCC(F)(F)F	534001436	TYXHAZPJTHXZIU-UHFFFAOYSA-N	400.425	6.034	30	20	HKED	
C[C@@H]1N(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCC12CCOCC2	541703459	YWZLXUCVRCFYDG-INIZCTEOSA-N	410.901	5.035	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2ccc(Br)s2)s1	541997487	SNSGDLSMEKMOLK-UHFFFAOYSA-N	423.279	5.157	30	20	HKED	
COc1cc(F)c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	542952946	KUBIPZFHUSCFLV-HNNXBMFYSA-N	419.456	5.264	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	543944092	ZXBNVDICJDSCMO-DFBJGRDBSA-N	410.521	5.536	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nccn2-c2ccccc2)nnc1-c1ccc(OC)cc1	553705780	XSTIRUUBHZIQRE-KRWDZBQOSA-N	417.538	5.179	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3CC(C(F)(F)F)C3)cc2Cl)cc1	554169115	KVYJOFHNSRYZTF-UHFFFAOYSA-N	409.795	5.466	30	20	HKED	
CC(C)(CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)(F)F	554910552	JUTPWKMGBWXQMR-SNVBAGLBSA-N	410.280	5.197	30	20	HKED	
CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1	560229685	DVKLMYLFJWBNAQ-CQSZACIVSA-N	417.321	5.068	30	20	HKED	
C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(CCC#N)c1ccccc1	560990983	UEKDHLCKOBVHKI-HRAATJIYSA-N	415.459	5.081	30	20	HKED	
C=CCn1c(-c2sccc2C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1	576433878	MNNGSDYQPJUIPH-UHFFFAOYSA-N	418.570	5.001	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCC1(F)F	577639830	UOBKGMXHLGQJTB-KBXCAEBGSA-N	403.860	5.504	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1	589382822	MIOHHQQDYXJHDU-UHFFFAOYSA-N	412.574	5.225	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)n2)cc1	604528049	GQHBWBQACDTJQE-IRXDYDNUSA-N	424.323	5.186	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(Br)c1	604567459	YTBXHDOBIMDQRH-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1csc(C(C)C)n1	608841791	XQWGLSOWNJNUKP-UHFFFAOYSA-N	420.538	5.603	30	20	HKED	
COCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)oc2ccccc12	609064097	IMMIPXTURKMMJO-UHFFFAOYSA-N	412.445	5.282	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)n1CC(F)(F)F	609429540	KBJOHGXWZPZNMH-UHFFFAOYSA-N	413.399	5.584	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	609437304	ZUQJBDFWDLPDNB-FPOVZHCZSA-N	422.598	5.115	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(Cl)c(Cl)c1	609460890	HMUQHCIXGVCPAH-ZDUSSCGKSA-N	413.688	5.995	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609499330	JYGVWMSDJZPZMY-UHFFFAOYSA-N	405.885	5.450	30	20	HKED	
CC(C)c1ccc([C@H](C)CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1	609970068	SYIQSBFDDBGYLV-LJQANCHMSA-N	417.553	5.053	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)cc1	610092532	NSIUXOKEXAKBNA-QFIPXVFZSA-N	405.885	5.326	30	20	HKED	
C=CCN(C(=O)c1cnc2ccsc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	610220449	LORVBUPAQAYXBG-UHFFFAOYSA-N	422.491	5.161	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)c1c(Cl)cc(C#N)cc1Cl	611094222	BFAJXNGXBAGPFB-UHFFFAOYSA-N	411.288	6.005	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc3ccccc3n2C2CC2)cc1C	611111528	KKZBKXXCLMSHJU-UHFFFAOYSA-N	424.508	5.018	30	20	HKED	
Cc1cc(N[C@H](C)c2cccc(C#N)c2)nc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)n1	611932603	WBSNNCLVXZHMAQ-IPMKNSEASA-N	410.525	5.113	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)c1	613319804	PJLNEFRGBPIVJI-LJQANCHMSA-N	418.909	5.448	30	20	HKED	
C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(OCc2cn3ccccc3n2)c1	619755024	RBKPLBQZHWUJIL-KRWDZBQOSA-N	416.912	5.289	30	20	HKED	
CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cccc(C#Cc2cccs2)c1	673760159	RAIBBTBXZINSFH-UHFFFAOYSA-N	421.469	5.287	30	20	HKED	
N#C[C@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1nc2cc(F)ccc2s1	684632303	XAAOYXODZCRSQD-MRXNPFEDSA-N	413.433	5.734	30	20	HKED	
COCc1nc(NCc2ccc(OCC#N)cc2)c2c(-c3ccccc3)csc2n1	727826184	CYCHUCRZVZGOKE-UHFFFAOYSA-N	416.506	5.019	30	20	HKED	
COc1ccc(O)c(C=Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)c1	727972720	FDUUFOUTIZPSPG-UHFFFAOYSA-N	414.461	5.287	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)c1	728481616	OITQFOHWDVVIEU-UHFFFAOYSA-N	411.501	5.045	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C\c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1	728697323	NVMWQKVEOODDLM-IUAZIXFQSA-N	423.266	5.157	30	20	HKED	
CC(=NNc1nc(-c2ccncc2)no1)c1c(F)cccc1O[C@@H](C)c1ccccc1	730145690	KTWNHLOLYOZENL-INIZCTEOSA-N	417.444	5.247	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1	731333340	YLOSNXSHYWZBBC-NSHDSACASA-N	420.288	5.004	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	731589578	ZJBSUSNONSZISU-KKFJTVDOSA-N	421.500	5.187	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732496376	SPNHCPIHIRVULY-SWLSCSKDSA-N	420.481	5.920	30	20	HKED	
CC(C)[C@@H](CNC(=O)c1ccccc1SCC#N)Cc1ccc(Cl)cc1Cl	732662766	IJXUJZPEAPMBAW-MRXNPFEDSA-N	421.393	5.854	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c1	733807016	PVXYWLKJJJSPSM-ISKFKSNPSA-N	417.484	5.095	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccccc2)C2CCCC2)c1	733851777	JQMNOXXGEVLBCN-HSZRJFAPSA-N	405.542	5.064	30	20	HKED	
COc1ccc(SCCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	739594933	ALAUMAYVJKIPNE-UHFFFAOYSA-N	408.548	5.094	30	20	HKED	
O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741852139	KGBOZVXPMXISFJ-KRXBUXKQSA-N	423.239	5.226	30	20	HKED	
COc1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1C#N	742369082	LXZARPCERGTCAI-QFIPXVFZSA-N	407.311	5.209	30	20	HKED	
N#Cc1cc([N+](=O)[O-])cnc1Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1	743180435	PKRUZEATJMZMIA-UHFFFAOYSA-N	411.493	5.193	30	20	HKED	
COc1ccc(COC(=O)CSc2ccc(C#N)cc2)cc1SC(F)(F)F	744954122	JCYSZEVZFQIHGP-UHFFFAOYSA-N	413.442	5.014	30	20	HKED	
Cc1ccc(N(C(=O)COc2cccc(C#N)c2)c2nc3ccccc3s2)c(C)c1	751106977	GVXWUWOSOGAKTH-UHFFFAOYSA-N	413.502	5.529	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1OC(F)F	753401099	YTASVYBPYHEQRF-IEZBTEQYSA-N	417.362	5.313	30	20	HKED	
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	755611105	IOSMQNQSIDTVKT-LVMGUKCRSA-N	423.881	5.651	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1OC	756113912	IHUFTNXVTUKPKC-LUJNMSEFSA-N	414.571	5.381	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc([N+](=O)[O-])c1	763945350	RJXHURMVBSVISS-HZMBPMFUSA-N	419.384	5.203	30	20	HKED	
C[C@H](NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccc(OCC#N)cc1	769688664	BSFAFRTVGCRNEL-FXAWDEMLSA-N	403.551	5.169	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)nc2ccccc21	769773508	LWBVIIHMNWUXRR-MKRLJBPISA-N	403.791	5.049	30	20	HKED	
C[C@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc(C#N)c(F)c1	777668518	YKGBELXQQSCWHT-SFHVURJKSA-N	413.496	5.392	30	20	HKED	
C=CC[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	778608091	WWHKTIONPJFCOK-CVEARBPZSA-N	400.425	5.851	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1	779103923	GGTIPRKJCRUQTA-DHLKQENFSA-N	404.485	5.394	30	20	HKED	
CC(C)CCSc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1[N+](=O)[O-]	780149443	PKDAPGNHLBWCCV-OAHLLOKOSA-N	413.499	5.276	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1	780166002	VDODWIZFMCDMQN-GOSISDBHSA-N	408.461	5.082	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Br)cc2F)ccc1OC	783252790	VNLPTUVAZNDALE-XJKSGUPXSA-N	421.310	5.129	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CC2CCC(C(F)(F)F)CC2)cc1	783358159	YHZSNPZQKCXRMH-PHZSVIKTSA-N	408.464	5.606	30	20	HKED	
O=C(O[C@@H]([C@H]1CCCOC1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	789643612	CINQGIZIEJJLKT-UFBFGSQYSA-N	424.259	5.239	30	20	HKED	
Cc1ccc(Cn2nc(C)c(CCC(=O)[C@@H](C#N)c3nccc4ccccc34)c2C)cc1	792098670	DKHFGNYFMNSHOD-RUZDIDTESA-N	422.532	5.214	30	20	HKED	
CC(C)O[C@H](C=Nn1cnnc1SCc1ccc(Cl)cc1)c1ccccc1	792941809	ROSGDUZIZNKQPQ-LJQANCHMSA-N	400.935	5.224	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cnc2onc(C(C)C)c2c1	793881468	KUNLTWYRMFIYFM-UHFFFAOYSA-N	414.918	5.185	30	20	HKED	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)cc1Cl	795921515	HTARUOCXDZWDKZ-CYBMUJFWSA-N	416.930	5.004	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	796643473	MVLPTCYKULMHMW-CABZTGNLSA-N	401.265	5.729	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(COC(=O)c2cc(C#N)ccc2Cl)on1	803832471	BSERSMGMYZDFHW-UHFFFAOYSA-N	418.836	5.385	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccccc1-c1ccccc1C#N	804465056	BGGZULYVOZZMNV-UHFFFAOYSA-N	412.489	5.418	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccnc2)CCCC1)c1nc(-c2ccc(Cl)cc2)cs1	808978792	BDCBPYILIWONKO-SFHVURJKSA-N	407.926	5.547	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCCC[C@@H]3[C@@H]3CCOC3)nn2)c1	814926783	JYLULKFBUZDFPH-NVXWUHKLSA-N	404.436	5.157	30	20	HKED	
CC(=NOCc1ncc(-c2cccc(Cl)c2)o1)c1nc2ccccc2n1C(F)F	836978796	VZIOIJIHBNXSBO-UHFFFAOYSA-N	416.815	5.681	30	20	HKED	
O=C(Nc1cccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)c1)c1cccs1	901379972	JSUKOPQBJLFUMJ-UHFFFAOYSA-N	421.305	5.339	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	915351518	DLWTWLLXVNUIEO-ZHRRBRCNSA-N	423.438	6.244	30	20	HKED	
CN(CCOc1cccc(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915352225	IWUJKUMZKZNRHD-HSZRJFAPSA-N	419.912	5.538	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c(C)n1C1CC1	916333926	XWOAZTNVMSDHKH-UHFFFAOYSA-N	406.342	5.176	30	20	HKED	
CC(=O)N(c1nc(C=NNc2cc(C)cc(C)c2)cs1)c1ccc(F)cc1F	916346564	IVAKDTUJGNKURI-UHFFFAOYSA-N	400.454	5.169	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1	916628261	OLCLOVSYRHFLAA-OWLMHDBPSA-N	408.866	5.082	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC	917024825	ADGPSHRBDVACBD-ZMOVQZPESA-N	416.502	5.273	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3C)n2)cc1	920138907	LRWIMTQYFSFUFV-KRWDZBQOSA-N	412.898	5.036	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(F)ccc1F)c1nc(-c2c(F)cccc2F)cs1	920805547	MTIDAIAMCMSHSE-ZDUSSCGKSA-N	404.388	5.176	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CCC)C1	1359145404	OFYOIVXNCLJFFF-IBGZPJMESA-N	402.970	5.000	30	20	HKED	
CCC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H](C)CC#N)CC1	1513636679	CGWWYFQFPHGZPE-HZPDHXFCSA-N	401.942	5.000	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cc3ccccc3o1)C2	1792572249	PGYYZPGXARCYJK-WBTGWBBHSA-N	420.553	5.077	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1	1808209706	OYSMNTVAZOPSHN-KRWDZBQOSA-N	421.006	5.015	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592144	RBHBPAPVCOUZJB-LAUBAEHRSA-N	408.546	5.051	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1	1831377065	UPUCWZFELULCBG-PXDATVDWSA-N	424.629	5.184	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1	6148044	MOPFIOODDIIBLF-AWEZNQCLSA-N	413.930	5.157	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC	11519395	RAXMHJHTCDWSGP-UHFFFAOYSA-N	405.450	5.313	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccoc1C	23632788	SHVJMUWDODMJRI-UHFFFAOYSA-N	412.515	5.587	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)cc1	24724876	HNYICWGENAKMAE-GOSISDBHSA-N	417.559	5.197	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)s1	59829052	XWZODTAZZKOTKE-UHFFFAOYSA-N	424.526	5.342	30	20	HKED	
COc1ccc(-c2nnc(SCCCCC#N)n2C2CCCCC2)cc1OC	195565267	GUWLLULNFZKTRQ-UHFFFAOYSA-N	400.548	5.253	30	20	HKED	
CCO[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	195655190	VZICWXLZKXPYJX-JTHBVZDNSA-N	404.897	5.712	30	20	HKED	
COc1ccccc1[C@H](Nc1c(C#N)cnc2ccc(Cl)cc12)c1ccccn1	301860246	DHGRQUKXOKFFMY-QHCPKHFHSA-N	400.869	5.365	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1	303408072	SYSWHFJRNBLYJK-QMHKHESXSA-N	411.546	5.147	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CCCO)c1ccccc1	303802200	AYYPDSLNZTUPBX-XMMPIXPASA-N	415.493	5.294	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1	409663535	AWGOQGATUXENQZ-KBPBESRZSA-N	419.344	5.249	30	20	HKED	
Cc1ccc(-c2c[nH]cc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1	426627785	IIBQVFOGJHMJTP-UHFFFAOYSA-N	404.520	5.223	30	20	HKED	
CCN(CCC#N)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	428884176	XFEKMUWAMILYRY-UHFFFAOYSA-N	407.493	5.499	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)C(F)F	432869418	WSSGYTIQPJYGIB-JOCHJYFZSA-N	421.447	5.574	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)s1	433507613	LDNKFJFMHDGCFL-UHFFFAOYSA-N	418.522	5.527	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	435920166	GSZRQYSGOGDZSQ-MRXNPFEDSA-N	408.376	5.060	30	20	HKED	
CCCCOC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	437736487	NBEOWKVXFANQNA-UHFFFAOYSA-N	421.541	5.145	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(N2CCCCCC2)c1	438269415	IIMFXHOXEBLHNY-BJKOFHAPSA-N	402.542	5.371	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)N(CCC#N)c1ccccc1	439572519	NISUSXOBPYGAKH-IBGZPJMESA-N	410.477	5.098	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@]23CCc2ccccc23)cc1	440389292	WSRXCWVNIUETQS-VPUSJEBWSA-N	410.492	5.130	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]1c1ccncc1)c1ccc(C(F)(F)F)cc1	441534012	JIJWSNJTANPJGI-PMACEKPBSA-N	403.448	5.654	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2cscn2)c1)c1nc(-c2ccc(Cl)cc2)cs1	442677510	CEEUYVPKEYCRAQ-KRWDZBQOSA-N	421.934	6.077	30	20	HKED	
C[C@@H](Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1)c1cccc(C#N)c1	442900710	NPBXQQXYLSZCDA-CQSZACIVSA-N	418.913	5.103	30	20	HKED	
C=CCN(C(=O)c1cccc(F)c1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	443815109	IZMGTCOEEQPQSJ-UHFFFAOYSA-N	417.849	5.344	30	20	HKED	
COc1ccc2cc(CN(C)C(=O)c3cn(CCCC#N)c4ccccc34)ccc2c1	443880374	ODIWEZFCWTVOCY-UHFFFAOYSA-N	411.505	5.379	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(Cl)c1	444515895	ZWSBAUDMHPNZRQ-UHFFFAOYSA-N	407.857	5.438	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccoc2Br)cc1Cl	445202327	FOOWYCLNACRVCP-MRXNPFEDSA-N	415.674	5.603	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2c(F)cc(C#N)cc2F)cc1	446032913	GPJZBEIRINJWRV-HNNXBMFYSA-N	406.432	5.345	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	461320260	XUEAXDZYDHEALZ-OPAMFIHVSA-N	401.441	5.108	30	20	HKED	
N#CCCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1	463110749	WCHDVWRUJGUVEI-AWEZNQCLSA-N	424.353	5.323	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1C	464013538	PWPFHJNFRWAMAU-UHFFFAOYSA-N	409.505	5.653	30	20	HKED	
C[C@@H]1CCC[C@H](n2c(SCCCSCC#N)nc3ccccc3c2=O)[C@@H]1C	466622353	CLIKTLBJXSXGCX-MDZRGWNJSA-N	401.601	5.133	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	468676891	MUYYQVJUCHNDHX-STQMWFEESA-N	400.338	5.192	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c2ccccc21	469728186	IQZMSZRVUYZEFX-LJQANCHMSA-N	417.406	5.508	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C#N)Cc4ccc(C#N)cc4)cc3)sc2c1	470710948	IXJIYJDXLAYDFL-HXUWFJFHSA-N	422.513	5.464	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1	474323396	JLSDHEDACLONFN-UHFFFAOYSA-N	423.513	5.037	30	20	HKED	
Cc1cc(C)nc(Sc2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2)n1	474421645	OBHBDTRDWDDMIL-IBGZPJMESA-N	402.523	5.271	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)n1	474437679	PDPSHDHVYUNBEU-HXUWFJFHSA-N	401.491	5.207	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC1	475122935	XLFPEPONFABWNH-VQIMIIECSA-N	400.444	5.845	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1	475528019	OOVLJNYNZXYVMP-QFIPXVFZSA-N	416.500	5.384	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	475615416	KDSWAKWLNXTGHG-QZTJIDSGSA-N	416.550	6.026	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccccc1	475897086	GXSFGCVEDVMILD-LJQANCHMSA-N	413.506	5.022	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2c(-c3ccco3)nc3ccccn23)c2ccccc21	476435673	PUNCXKRXXYVGNT-UHFFFAOYSA-N	409.449	5.105	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)Nc1ccccc1SCC#N	476997576	TZACLANNRKVSNL-HZPDHXFCSA-N	401.963	5.018	30	20	HKED	
CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CCO1	479681882	FOPVVZOHCRHLLQ-FPOVZHCZSA-N	408.567	5.423	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1	480562622	ISMJTKIXYFFZPF-MRXNPFEDSA-N	413.974	6.146	30	20	HKED	
C=C(C)[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c(F)c1	481585051	HMMHLVNNJCZTSL-IVZQSRNASA-N	415.509	5.205	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Oc4ccncc4)c3)o2)cc1	482801156	GYCWPAWOFMZDLV-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
N#Cc1cc(N[C@@H]2CCCC(F)(F)C2)cc(N[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-]	486879000	KWCACQMIDRSMAU-KGLIPLIRSA-N	414.403	5.446	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1cccc(Cl)c1	489642037	PMHDBVFLJPCBMH-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1	490476419	APAGMYWIFKRIOQ-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
CC(C)c1nc2ccc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2s1	495640588	QYBDTWXRDZNTEB-LBPRGKRZSA-N	410.568	5.281	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	500372759	WMGCOPBSEUAIIQ-DZWOVHDNSA-N	420.578	5.111	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(OCc2ccccc2)cc1	505332901	YSCLPBHZMMDTRN-SBHAEUEKSA-N	416.443	5.315	30	20	HKED	
N#C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)c1c(Cl)cccc1Cl	505506701	NNEYXYYTGBUUBN-GFCCVEGCSA-N	420.040	5.029	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	509649700	MWDUMYYAOYLLOP-ZDUSSCGKSA-N	412.465	5.109	30	20	HKED	
C=CCOc1cccc(NC(=O)NCc2ccccc2COCc2ccccc2)c1	510733850	LBODLWXZCWZBHK-UHFFFAOYSA-N	402.494	5.290	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(C)cc2)cc1	513227994	HGBAUYQNUUGNJC-XMMPIXPASA-N	413.521	5.716	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1	514967697	MWJFIJWIUGKJNG-UHFFFAOYSA-N	403.935	5.159	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)o1	515504306	GCJIAXNDQALBSU-UHFFFAOYSA-N	400.478	5.186	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Br)cc1Cl	515690018	UVWKBKRMJTXPHA-UHFFFAOYSA-N	417.715	5.955	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)o2)cc1	516381043	YPALAQFYCVHLHP-SFHVURJKSA-N	410.477	6.191	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccccc1C(F)(F)F	517529474	BKQKRCNYGKPYHW-CQSZACIVSA-N	407.461	5.464	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	517903108	BEFMKDODJHGVRD-QGZVFWFLSA-N	401.466	5.584	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c(Cl)c1	518136676	SPAMVFYZRJDDCI-KGLIPLIRSA-N	422.978	6.306	30	20	HKED	
COc1ccc2ccc(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2c1	520826488	XHTQRHMJIHMEKO-INIZCTEOSA-N	406.507	5.260	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Br)s1	520939271	PEHIDWYGFRCIIX-LBPRGKRZSA-N	424.389	5.269	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)nc(C)n1	521043147	MPRWVCNAHPVDOI-LBPRGKRZSA-N	403.294	5.014	30	20	HKED	
Cc1csc(Nc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2)n1	521134754	HVIHSLXNRZIUNH-UHFFFAOYSA-N	406.511	5.255	30	20	HKED	
CCCC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(OC)cc1	521257908	NKEXFMPYEJFUTR-FXAWDEMLSA-N	411.571	6.000	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(COCC4CC4)c3)c2)c1	522310753	NXVHHGSHGVSCSS-UHFFFAOYSA-N	412.489	5.316	30	20	HKED	
Cc1ccc(Br)cc1NC(=O)c1occc1COc1cccc(C#N)c1	522572781	MPEXLHHOHCKUFG-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]cc1-c1ccccc1	524422209	CAJOWLJCTZJPQC-UHFFFAOYSA-N	407.473	5.693	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc(O)ccc1C(F)(F)F	526024932	GZJDTFWPYQRYJL-UHFFFAOYSA-N	415.236	5.284	30	20	HKED	
C=C[C@H](CC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	530511568	VNJISJJERHOOHY-JPYJTQIMSA-N	403.501	5.629	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)s2)cs1	531228266	SVZWQLGKZCVTSG-ICSRJNTNSA-N	422.579	5.161	30	20	HKED	
CC[C@@H](c1nnc(S[C@@H](C)c2ccc(C#N)cc2)n1-c1ccc(OC)cc1)N(C)C	531409034	GPGGBGXCJBZGPU-KKSFZXQISA-N	421.570	5.014	30	20	HKED	
N#CCc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c1	532181021	KJJXUBQJJACCGS-UHFFFAOYSA-N	424.869	5.113	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](CC)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	533825027	QQMHNEATWMVTFL-MSOLQXFVSA-N	409.452	5.768	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C(F)F	534122978	PVJRLCIEQADGFL-UHFFFAOYSA-N	409.440	5.344	30	20	HKED	
CCSc1ccc([C@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	538202238	WMGLANAPMOMVRU-SJORKVTESA-N	413.612	5.482	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2)cc1	538958481	BSYCXJSYPFFHAB-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
C=CCCOCCCCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	539364973	RNPIFBGNRDNAPE-UHFFFAOYSA-N	406.979	5.419	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)oc12	539499935	NHALXSNKSBUSPQ-GOSISDBHSA-N	403.526	5.018	30	20	HKED	
Cc1c([C@H](C)N[C@H](CCC#N)c2ccccc2)nnn1-c1cccc(Br)c1	540147981	RAMVZXPAFZPYRW-MGPUTAFESA-N	424.346	5.034	30	20	HKED	
COc1c(C)cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C	540208131	DTYQYWDOEDXWGT-UHFFFAOYSA-N	400.478	5.209	30	20	HKED	
Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541175460	MWIQYTYECIQTPE-MSOLQXFVSA-N	424.573	6.464	30	20	HKED	
C[C@H](NC(=O)c1cnc(-c2ccccn2)s1)c1ccc(-c2cccc(C#N)c2)cc1	541998865	GWSFTWOROYZDOE-INIZCTEOSA-N	410.502	5.235	30	20	HKED	
C[C@@H](O)CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CCCCC1	542708267	XSVMFONBUDUICM-MRXNPFEDSA-N	411.477	5.037	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)o1	542927011	CWEWRHOCTSYGPG-INIZCTEOSA-N	408.461	5.075	30	20	HKED	
COc1cc(F)c([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	543961443	JSQDCRJTRJSRTH-SJORKVTESA-N	404.485	5.793	30	20	HKED	
COCCOc1ccc(C#N)cc1N[C@@H](C)c1sc(Cc2ccccc2)nc1C	544374307	HEEAPOLPZXFEHC-INIZCTEOSA-N	407.539	5.112	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3ccccc3CC)no2)nnc1-c1ccco1	545612106	ZMGQVQWLWBCVTI-UHFFFAOYSA-N	407.499	5.019	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	546795516	YDNHNIXDGCMVEP-GOSISDBHSA-N	408.567	5.875	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc2n[nH]cc2c1	554481203	MVXUQVXEDOPGJE-AWEZNQCLSA-N	415.428	5.249	30	20	HKED	
C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	556956245	XYQODUZPEHFGNJ-ZIAGYGMSSA-N	404.407	5.056	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)o2)cc1	557511001	OZEOEIXISGECGX-VXNXHJTFSA-N	412.489	5.139	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cccc(C#Cc4ccccn4)c3)[nH]c2c1	558371358	JIKMGHVKIVRWIO-DEOSSOPVSA-N	421.504	5.035	30	20	HKED	
COc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)ccc1Br	560137549	OSCNJKHQEARUOF-UHFFFAOYSA-N	401.285	5.105	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)Cc2ccsc2)cc1	561550458	NWORUCJNVUYQLH-HNNXBMFYSA-N	407.495	5.173	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1	566888435	KGEXYAQWUNKGBY-FGZHOGPDSA-N	422.912	5.178	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1Cl	573990641	AWGVTKMDTFMLPP-SIKLNZKXSA-N	419.916	5.478	30	20	HKED	
COc1ccc(-c2cc(NC(=O)Cc3cccc(C#N)c3)ccc2OC(F)F)cc1	577156221	FATFQPCVXPSAMQ-UHFFFAOYSA-N	408.404	5.016	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccccc2F)C1	589528877	LOHAYPFZBXHPDE-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1	589740162	LOXVVOFHDCRYBS-HXUWFJFHSA-N	421.324	5.554	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](c3ccccn3)C2)cc1	590565302	KMWUKDUCGUFLOP-OAQYLSRUSA-N	413.546	5.265	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1	602756460	SRGIEERQNWSNLY-LLVKDONJSA-N	413.593	5.419	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCCC[C@H]3c3ccncc3)s2)cc1	603660101	MFWXCPRHRUAQFP-NRFANRHFSA-N	417.538	5.150	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	603998790	WIDCQQGGPOFVNO-FQEVSTJZSA-N	417.925	5.210	30	20	HKED	
N#C[C@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc2cc(F)ccc2s1	604005600	PQRGCKZOLPFGMG-LJQANCHMSA-N	420.440	5.644	30	20	HKED	
COc1ccc(CNC(C)(C)c2cccc(C(F)(F)F)c2)cc1OCCCC#N	608982956	ONROMZNGZMRCHO-UHFFFAOYSA-N	406.448	5.421	30	20	HKED	
C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(OC(F)F)cc1	609221890	IRKFAVCGNIVZEH-OAHLLOKOSA-N	423.419	5.391	30	20	HKED	
C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(F)cc1Cl	609222196	XZKZRGHXJIIIQX-AWEZNQCLSA-N	409.848	5.582	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCOc1ccc(F)cc1	609378457	JLKRCCUUROYTQW-UHFFFAOYSA-N	412.408	5.258	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCSc4ccc(Cl)cc43)cc2)nc1	609499200	YDACNVNPRGOORE-UHFFFAOYSA-N	407.882	5.151	30	20	HKED	
CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)NCCCCC#N	609678366	KEUTYBFPMLBVEJ-UHFFFAOYSA-N	407.558	5.416	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	609694672	WXYQZXAQOWYWRA-SJORKVTESA-N	405.404	5.074	30	20	HKED	
CCC[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccn1	609724264	MZHQTDRHZHDNEE-NRFANRHFSA-N	405.885	5.670	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCCC[C@H]3c3ccco3)s2)cc1	609919390	LVRQBHBLEZMCPT-IBGZPJMESA-N	406.511	5.348	30	20	HKED	
N#CCN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C1CCCC1	609976712	CNIJZZWPADGHSF-UHFFFAOYSA-N	417.278	5.289	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@H](C)c3cccc(C#N)c3)cc(-c3ccccc3)nc21	610360009	PZVUBOUUDBGPNV-QGZVFWFLSA-N	409.493	5.042	30	20	HKED	
C[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(C#N)c1	610364456	TVJVNFGBRGFYPW-CYBMUJFWSA-N	415.440	5.120	30	20	HKED	
Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)C1	611093805	FQJQAWAKPDNWJO-CYBMUJFWSA-N	422.743	5.083	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1	611376296	TUOWFAFLFUILSR-CABCVRRESA-N	421.488	5.389	30	20	HKED	
C=CCn1c(SCc2ccc(OCC(F)(F)F)cc2)nnc1-c1ccccc1	614380785	HBRMLKKLRXUCOT-UHFFFAOYSA-N	405.445	5.365	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccc2ccccc2c1	615342654	NLTXJVNKBYHNQG-LJQANCHMSA-N	406.599	5.499	30	20	HKED	
O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccccc1CCC(F)(F)F	622601328	ZBGOHFCWXUEOLO-UHFFFAOYSA-N	411.292	5.409	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	642281843	OBJJDRXZWPAHOS-GOSISDBHSA-N	404.882	5.139	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(OCc3cccc(F)c3)c2)cc1Cl	726473240	GNYHSHZOTSPJKA-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
CCCCN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1Cl	726790001	NCPJEFGGYJFPIC-LJQANCHMSA-N	418.928	5.179	30	20	HKED	
CCc1ccccc1N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S	726802049	REKXLUMIIRFSHO-HKWRFOASSA-N	408.548	5.337	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(Br)cn1	727266544	YHLWZABIFRYYCC-UHFFFAOYSA-N	418.726	5.253	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(Br)s1	728437749	HYZMBQPVMHVXMQ-IHWYPQMZSA-N	420.309	5.259	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=S)Nc3cc(Cl)cc(Cl)c3)CC2)c1	729165592	XMUVMVRUHIABTO-UHFFFAOYSA-N	406.338	5.105	30	20	HKED	
COc1ccccc1CC(C)(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	733052680	OTCDHZLZZRKRTL-LJQANCHMSA-N	404.535	5.572	30	20	HKED	
CCOc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1C	733679331	YAZCHUMUFBYUHY-HXUWFJFHSA-N	414.461	5.147	30	20	HKED	
C#CC[C@@H](OC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccccn1	733692004	DVMKZMQUGBRAGT-HSZRJFAPSA-N	405.881	5.164	30	20	HKED	
COc1cc(C=NOCc2ccc(Cl)cc2Br)ccc1OC(F)F	733792564	OYMWBGSUAQNELZ-UHFFFAOYSA-N	420.637	5.263	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1	733843061	JSIZYVDSYYZRJJ-HXUWFJFHSA-N	416.481	5.185	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCC(O)CC2)cc1	734235835	WNQNSKIZNIQPCT-JXMROGBWSA-N	424.953	5.321	30	20	HKED	
O=[S@](Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1)C1CCCCC1	734980158	XMHKBOAIOHFMJV-AREMUKBSSA-N	410.366	6.031	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H](c3ccccc3OC)C2)c1=S	738284884	INXKTJAWMZMMEC-HXUWFJFHSA-N	420.582	5.031	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1	743610313	CIKOUIUJNDAMME-SPPOGVHBSA-N	411.933	5.217	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Cl)c2Cl)cc1	746659514	KDVKXEPLYNJYLO-LJQANCHMSA-N	410.304	5.971	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)Sc3ccnc4cc(Cl)ccc34)[nH]c12	750713765	SMFKTHKOWUUGPO-BBRMVZONSA-N	420.925	5.430	30	20	HKED	
Cc1csc(SCc2c(C(=O)N3CCC[C@@](C)(C#N)C3)oc3ccccc23)n1	753159566	DCNMYJZFVKMYDF-NRFANRHFSA-N	411.552	5.256	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1OC(F)F	753400477	PZSZXQSRZJBIPL-MSKHEQNASA-N	418.852	5.831	30	20	HKED	
COc1cccc(-c2nc(C)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)[nH]2)c1	755511802	WQELHKSXMBFMHQ-QHCPKHFHSA-N	422.488	5.302	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc(F)cc(F)c2)cs1	755707605	ZZSXCNISRJBKDO-QPJJXVBHSA-N	402.397	5.141	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1Cl	755752243	WRCUALVNDPULRE-LJQANCHMSA-N	411.914	5.041	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1	766253523	CDJOVHMMPMQCQL-MRXNPFEDSA-N	419.308	5.117	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)cs1	766696532	UDDXBTCDVCMIOC-GNKPEBMXSA-N	406.482	5.659	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1	767741886	VOZUGKIMGYMGEG-OAHLLOKOSA-N	414.289	5.058	30	20	HKED	
Cc1nc(CON=Cc2c(Cl)nc3ccccn23)oc1-c1ccc(Cl)cc1	768517797	UXMLWXGUAAWJKE-UHFFFAOYSA-N	401.253	5.155	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2sc(C(C)(C)C)nc2C)ccc1OC	772983934	AWNJAPHDIAZWAD-PBHICJAKSA-N	401.576	5.289	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1	773096410	VOGYTRYBZJNADR-HRAATJIYSA-N	418.459	6.020	30	20	HKED	
CCOc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c12	783069692	KMIJKOIYQXLOHX-CQSZACIVSA-N	409.898	5.249	30	20	HKED	
FC(F)COc1ccc(NCc2ncc(C(F)(F)F)s2)cc1C(F)(F)F	788524496	WRAUFHJQHACVHD-UHFFFAOYSA-N	406.298	5.437	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1	789719036	HGYXGBLWJPLYMW-UHFFFAOYSA-N	410.521	5.833	30	20	HKED	
COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1	793384659	UXUPQSFNGPTHGB-QGZVFWFLSA-N	409.486	5.068	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1NC(=O)c1ccccc1	796673213	QNNMMANVXCWCFO-GOSISDBHSA-N	412.489	5.658	30	20	HKED	
C[C@H](NCC1(c2ccc(Br)s2)CCC1)c1ccc(OCC#N)cc1	797009330	RHVWEIKSLUHVET-AWEZNQCLSA-N	405.361	5.185	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2csc(COc3ccc(F)cc3)n2)s1	797570551	HMSDJVWNGGKSLR-AWEZNQCLSA-N	415.515	5.105	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Br)c2Cl)c1	801947435	VBYRQAOZHHSEBX-CYBMUJFWSA-N	422.710	5.105	30	20	HKED	
C[C@@H](NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)cc1F	806182456	ZJXOSCKEIYQMLK-MRXNPFEDSA-N	409.505	5.236	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)cc1	806200898	PLBSNVKOVHTPRW-XZOQPEGZSA-N	419.912	5.241	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Oc3c(C)cc(Cl)cc3C2=O)cs1	811696388	DHGZAUCLZSFKQB-GRSHGNNSSA-N	424.909	5.714	30	20	HKED	
C#Cc1ccccc1CC(=O)N(CC)[C@@H](c1cccnc1)c1csc2ccccc12	812992861	CNYAJPFTSTYPAC-SANMLTNESA-N	410.542	5.458	30	20	HKED	
N#CCc1ccc(NC(=O)CCc2cc(C(F)(F)F)ccc2Br)cc1	814789585	KEKLNEMKXMZECK-UHFFFAOYSA-N	411.221	5.105	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCn2ccc3ccccc32)cc1	915353199	LXQFSJQPMXUUMW-DEOSSOPVSA-N	408.505	5.509	30	20	HKED	
COc1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)ccc1NC(=O)OC(C)(C)C	915983066	OQEIDEUKTRDQDK-UHFFFAOYSA-N	421.837	5.060	30	20	HKED	
O=C1/C(=C\c2ccc(OCc3ccncc3)cc2)CC/C1=C\c1cccc([N+](=O)[O-])c1	915986796	DLCSXVYIEBCAMO-BILXGNRESA-N	412.445	5.399	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1)Nc1ccccc1	916127902	NQTHOFSWHUCUDP-OQLLNIDSSA-N	408.457	5.148	30	20	HKED	
Cc1nc(SCC(=O)[C@@H](C#N)c2ccccc2)c2cc(-c3ccccc3)sc2n1	916622821	MZTRGCBETRIMAK-IBGZPJMESA-N	415.543	5.635	30	20	HKED	
Cc1ccc2c(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)c[nH]c2c1	917539102	UUUWKAOALAQUAS-UHFFFAOYSA-N	402.310	5.213	30	20	HKED	
N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccc4ccccc4c3)c2)c1	917811333	PIIOZFZWEHCHOH-UHFFFAOYSA-N	407.473	5.341	30	20	HKED	
CSc1nc(O)c(C(=O)N(C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)cc1C#N	1533451304	UHKWBMRIOQCTGW-QUCCMNQESA-N	413.587	5.124	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@H]54)CCC3)cc2)CC1	1787880586	VEBBVMMARRDLEM-VLCRHTCISA-N	419.569	5.031	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(CC)cc2)cc1	10169045	WQQSCTSNFZBMCO-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1	10172579	DKHXIQDZNLCERM-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)Nc3cccc(OCCCC#N)c3)cs2)cc1	55569397	DVOVHMMDJZELPM-UHFFFAOYSA-N	405.523	5.236	30	20	HKED	
CCn1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc(-c3ccccc3)nc21	59337625	IIDJGZDYTSMMMY-KRWDZBQOSA-N	423.501	5.218	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](c2ccccc2)O1	62515152	QPXORYNTZPHBCC-GCJKJVERSA-N	414.530	5.312	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1	63960784	FKDYUYYJGMOPHV-UHFFFAOYSA-N	404.470	5.026	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1nc2c(s1)CCCC2	64382789	VUDWFGJFBNBCJY-JKSUJKDBSA-N	417.372	5.107	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	64456510	FZPPHWOMCGETHG-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1	107646733	ZRHQJXFKOOIUBZ-FQEVSTJZSA-N	406.869	5.265	30	20	HKED	
N#CCCn1cc(CNc2cccc(COCc3ccco3)c2)c(-c2ccccc2)n1	237833212	BJMZJBRNDDPUKR-UHFFFAOYSA-N	412.493	5.386	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)CSCc1ccc(C#N)cc1	303279256	IDRHYNLCNXWDKO-UHFFFAOYSA-N	418.566	5.222	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	303284021	KXGSSLFQDHFCDF-ZDUSSCGKSA-N	404.919	5.251	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(Sc3ccc(OC)cc3)cc2)CC1	303345421	PVOUIRUHAOTZLI-UHFFFAOYSA-N	411.571	5.008	30	20	HKED	
COc1c(F)cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1F	303691537	VMLTTZGZLFZWLJ-UHFFFAOYSA-N	414.795	5.543	30	20	HKED	
Cn1nccc1[C@H]1CCCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	410288882	MBCSJSVMEQGLAO-OAQYLSRUSA-N	420.900	5.105	30	20	HKED	
Cc1ccc(Oc2ncccc2-c2noc(-c3ccc(C#N)o3)n2)c(Br)c1	426424499	HSVUOORWNNHLTH-UHFFFAOYSA-N	423.226	5.127	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	433226580	NYLPWORIOLJZRZ-CBAPKCEASA-N	406.273	5.111	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nc2ccccc2n1C(F)F	435460522	YQDDKCZUKMTHIE-INIZCTEOSA-N	420.394	5.486	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1C#N	435555010	VRBVGTWTXUMAQJ-QFIPXVFZSA-N	420.900	5.305	30	20	HKED	
Fc1cc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc(F)c1F	436398302	DKVXRIXDRSSNAG-CQSZACIVSA-N	401.272	5.906	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	438045025	QFWLJJIJDBBOAZ-UTKZUKDTSA-N	413.562	5.808	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NCCCCC#N	438697820	GGFZVUXTOCOXJB-UHFFFAOYSA-N	407.493	5.547	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccncc1OCC(F)(F)F	439387910	QCRLVSZBRUCLQQ-UHFFFAOYSA-N	407.436	5.196	30	20	HKED	
COc1cc(CN2CCC(c3nc(-c4ccccc4OC)cs3)CC2)ccc1C#N	443072719	PQAGSKRSBSGDER-UHFFFAOYSA-N	419.550	5.079	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cn(CCCC#N)c4ccccc34)c2)cs1	443921438	NESNHZHGNALWGR-UHFFFAOYSA-N	400.507	5.629	30	20	HKED	
CC1CCN(C2CCC(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)CC1	443946789	ZDLKDWNMIOLIJR-HDYDNRTBSA-N	414.619	5.245	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1C	462276759	UEWGVIJUVLXJAX-QGZVFWFLSA-N	400.478	5.197	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3cncc4ccccc34)c2)cc1	462430114	HHGFJOYEZXDACT-UHFFFAOYSA-N	421.500	5.451	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1	463703756	GKLFFERELNVUCK-UHFFFAOYSA-N	413.525	5.202	30	20	HKED	
Cn1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C2CC2)n1	463755021	JTUFZYMXWBLAAY-UHFFFAOYSA-N	421.888	5.046	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)n1	470269569	YOHVWZXSOWRPGP-UHFFFAOYSA-N	402.498	5.520	30	20	HKED	
C=C(C)[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(F)c(F)c1	477740958	DDFLAQYHEKCMQQ-ORYQWCPZSA-N	419.541	5.026	30	20	HKED	
CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCCc2cccnc21	479345303	DXXCHDMVFPETMR-QFIPXVFZSA-N	412.493	5.070	30	20	HKED	
C=C(C)[C@H](NCc1csc(COc2ccc(OC)cc2)n1)c1ccc(F)c(F)c1	479423556	QEODTBXZQATEQJ-QFIPXVFZSA-N	416.493	5.416	30	20	HKED	
CC(C)CN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(C#N)cc1	480091881	CUJOMDZETFMEJO-UHFFFAOYSA-N	403.526	5.380	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1	482086154	WYFDUPYGITXAOZ-UHFFFAOYSA-N	420.475	6.144	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	482376277	MEHMLRKDLCVRBY-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C	483703859	UXFJJOJPGYGDFL-KRWDZBQOSA-N	417.513	5.566	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1	485481018	ONGIBNUJINQKSO-UHFFFAOYSA-N	423.559	5.191	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1CC(C)C	499932760	TXLYZZBUVBURKL-UHFFFAOYSA-N	407.449	5.295	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Nc2cccc(OC(F)F)c2)cc1	502622913	YDNQXNAZZRAGHB-UHFFFAOYSA-N	423.419	5.577	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	503048789	BITGQWOHJVTUEL-HSZRJFAPSA-N	416.587	5.620	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(Cc2cccc(F)c2)n1	503149332	BIDCPKIWQULQSR-CQSZACIVSA-N	411.527	5.377	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1cc(F)c(F)c(F)c1	504898142	PYMAVLVJSNSNTF-UHFFFAOYSA-N	412.436	5.099	30	20	HKED	
N#CC[C@H](Cc1nc(C2(c3ccccc3Br)CC2)no1)c1ccccc1	514819063	UJLDVVHPMWTVDT-MRXNPFEDSA-N	408.299	5.152	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccccn1	521748616	XUCPSXRXMJMJJD-VGSWGCGISA-N	402.523	5.244	30	20	HKED	
C[C@H](CC#N)NC(=O)c1sc2ccccc2c1CSc1ccccc1Cl	522117711	IUSOYMJUNYGQHZ-CYBMUJFWSA-N	400.956	5.879	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OC3CCCC3)cc2)c1	522474952	AGWLVSNLMQXFEE-UHFFFAOYSA-N	402.450	5.304	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2)c1	522480968	RTOYPXVDYZXLAZ-FQEVSTJZSA-N	409.470	5.237	30	20	HKED	
Cc1noc2ncc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc12	522647547	UBZOVCSDXBZXKW-UHFFFAOYSA-N	404.813	5.101	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)cc1F	522668696	NJOKYHYIBFDXLU-UHFFFAOYSA-N	415.490	5.573	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H](C)c1cccc(O)c1	522845025	XFROVXIOOXNLSD-KRWDZBQOSA-N	401.466	5.671	30	20	HKED	
CO[C@H](C)c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	523948425	XODRIYUFZSNAQG-OAHLLOKOSA-N	406.869	5.964	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(C)cc(F)cc2[nH]1	523977689	DNKLGGBLSZRRKH-UHFFFAOYSA-N	400.413	5.235	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2cccc(Br)c2)c1C	524141651	SEYWOHVIGDKEPB-UHFFFAOYSA-N	403.345	5.105	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	524506067	VHAHTFGDRGDTRX-UHFFFAOYSA-N	413.477	5.128	30	20	HKED	
COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1C	531080404	DGMYVSYJIIKATP-SFHVURJKSA-N	414.303	5.007	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c(C)c2c1	531440908	CTVFXRXKHIKLGF-DHIUTWEWSA-N	414.505	5.175	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1	532508116	SXICGZWHHCVCDD-QGZVFWFLSA-N	402.519	5.118	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)C1CC1	532811766	OVCRQDOFBYZGLO-CQSZACIVSA-N	403.404	5.654	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2ccccc2F)CC1	533299867	ODCICKDBFNRHSK-QGZVFWFLSA-N	411.546	5.038	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@](C)(C#N)CC(C)C	533877642	BGJLAMVYMFDCAU-HXUWFJFHSA-N	403.935	5.020	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	534040989	VJCMPSQVVXTOND-UHFFFAOYSA-N	410.433	5.958	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccccc3CCC(F)(F)F)n2)c1	534790266	ZYTPBJZUDJNIJS-UHFFFAOYSA-N	401.413	5.429	30	20	HKED	
COCCOc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	541063393	LMCMTAYPRWMCMB-LJQANCHMSA-N	416.521	5.110	30	20	HKED	
Fc1cccc([C@@H](NCc2coc(-c3c(F)cccc3F)n2)C(F)(F)F)c1F	541334925	NICWZDSVBWTJEB-MRXNPFEDSA-N	404.285	5.291	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)cc1	542565180	MJEVTSFDVRGBDT-ZJSXRUAMSA-N	416.452	5.140	30	20	HKED	
C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2Cc2cccs2)CC1	555439784	IFKQWDWDRPRMCS-UHFFFAOYSA-N	401.539	5.006	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	560351181	JDWPCYCPMCHDEN-CQSZACIVSA-N	413.289	5.182	30	20	HKED	
Cc1ccc(NCc2ccc(CC#N)cc2)cc1Oc1ncccc1Br	563679358	YFSKCWIFIZIJCH-UHFFFAOYSA-N	408.299	5.623	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(F)cc1N1CCCCC1	566708421	RUUHRXNRBIYFAF-UHFFFAOYSA-N	412.484	5.269	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)c1ccc2c(c1)CCC2	569372579	XFCBBLDJPHYRGN-UHFFFAOYSA-N	418.440	5.021	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(c2ncccc2Cl)CC1	583219086	QOLLUFUAIAMNAX-UHFFFAOYSA-N	411.937	5.163	30	20	HKED	
CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)N(CCC#N)c1cccc(C)c1C	589851597	BCEFNABMFTWOEE-UHFFFAOYSA-N	419.308	5.139	30	20	HKED	
COc1ccc(O[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	603532908	FKDDJTHOJDSQOK-GOSISDBHSA-N	418.468	5.015	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1	603736977	JLKORFBSNYPUBW-MRXNPFEDSA-N	412.917	5.131	30	20	HKED	
COc1ccc(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	603759208	XVRRSBVCXKAKSZ-NRFANRHFSA-N	422.937	5.735	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1	603970251	ZCVLXQWBRXGVNN-OAQYLSRUSA-N	400.482	5.300	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1	603995739	XUOLIEKETVNIRF-KSFYIVLOSA-N	413.477	5.098	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1	604021769	QRBQONCUJBOASH-HXUWFJFHSA-N	420.925	5.467	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	604929660	LBJGQTSJVNEWMX-FQEVSTJZSA-N	423.859	6.042	30	20	HKED	
COc1c(Cl)cc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl	608807297	AAMSTWMONPQJPW-UHFFFAOYSA-N	417.248	5.298	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1	608915521	RQWZKLFRODVMOV-UHFFFAOYSA-N	415.493	5.802	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	609028348	WOUDMIYCULTNMN-HXUWFJFHSA-N	405.523	5.149	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NCc1cccc(C#N)c1	609080180	RNCQMZUBJGALAE-UHFFFAOYSA-N	405.885	5.421	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCCc3ccc4ccccc4n3)c2)cc1	609209652	GYAVXRCIPXXKQG-UHFFFAOYSA-N	408.461	5.263	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)c1	609501876	IZDCSWXCIXMMNZ-HSZRJFAPSA-N	424.953	5.728	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N	609930020	UFZFFBASEUWAJJ-SXGZJXTBSA-N	417.962	5.489	30	20	HKED	
C=CCn1c(SCc2ccc3oc(C(=O)OC)cc3c2)nnc1-c1ccccc1F	610169776	IQFAJXDRJILOBJ-UHFFFAOYSA-N	423.469	5.095	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	610197425	KYNFGESYSSEWOW-QFIPXVFZSA-N	419.569	5.282	30	20	HKED	
CC(C)(C)c1ccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)C(F)(F)F)cc1	610390253	FGDHDHGIJQGRLY-IBGZPJMESA-N	414.431	5.299	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)s2)c(C)c1	610598554	UBWCSUOFRAICSZ-NHCUHLMSSA-N	401.535	5.339	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)CCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346972	UEBOPPGINSUWDI-HNNXBMFYSA-N	415.301	5.542	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1nc(-c2ccc(F)cc2)cs1	620260682	RNDUDQOACKFLLN-UHFFFAOYSA-N	406.935	5.421	30	20	HKED	
CC(C)(NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1F	644112010	KIOXUUJWVMWKHJ-GHMZBOCLSA-N	414.365	5.270	30	20	HKED	
O=C(NCc1ccc(Cl)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	681658102	IQYRBCFVXUUYRC-NXEZZACHSA-N	420.756	5.188	30	20	HKED	
CCC[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)c(Cl)c1	727844673	GLZYDCMBOZLRLN-IBGZPJMESA-N	406.313	5.236	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Cc1ccc(F)cc1	727995805	FAPOHBFEEPUENA-SFHVURJKSA-N	402.469	5.402	30	20	HKED	
Cn1c(CC(=NOCc2cc(F)cc3cccnc23)c2ccccc2)nc2ccccc21	730100172	CFHXANJUPPDGAM-UHFFFAOYSA-N	424.479	5.424	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1	730949001	OFZNDQJLOLOBQK-LBPRGKRZSA-N	416.959	5.341	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(-c3cccs3)c2)ccc1OC	733628519	ALLSHTMADVUKGX-IBGZPJMESA-N	421.522	5.426	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C)c1ccncc1	734672800	XZXICWUBIVVRPJ-OXQOHEQNSA-N	422.554	5.200	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)c2csc(Nc3ccccn3)n2)cc1	736898388	KHQWGGWVPVKLRS-UHFFFAOYSA-N	412.474	5.177	30	20	HKED	
Cc1cccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c12	741431640	SHCQTKNLDZQVFG-GOSISDBHSA-N	405.910	5.672	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)c1	742679650	YZQXULXPFSUGPJ-XZGNNNQISA-N	402.416	5.106	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F	743096918	SOUQZFIRYUSJMQ-OPAMFIHVSA-N	405.448	5.545	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(CCc2ccc(C)cc2)Cc2ccco2)c1=S	743385271	JZUQBRAOPIOBIC-UHFFFAOYSA-N	408.571	5.081	30	20	HKED	
N#C[C@H](C(=O)CN1Cc2ccccc2C[C@H]1c1ccccc1)c1nc2ccccc2s1	744413006	VIDQEJNBKNOSAC-GGAORHGYSA-N	423.541	5.272	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	746139663	ZLPIXLZMWSOESE-OCCSQVGLSA-N	418.349	5.472	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Br)c2)cc1	746660213	ODIDRCFUWOIFOE-OAQYLSRUSA-N	420.310	5.426	30	20	HKED	
C#CCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C1CCCCC1	750733153	GLHMDCUDJGTGKI-UHFFFAOYSA-N	406.473	5.166	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc(-c2ccccc2)cs1	759216826	GMXIZZURGYNLLT-VYENPZKTSA-N	415.905	5.901	30	20	HKED	
C[C@H](ON=C1CCOc2ccccc21)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760435289	XSJDSJAQRCLUKR-NSHDSACASA-N	404.253	5.308	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	763896280	MIFKYVMZZJPIQR-HUUCEWRRSA-N	410.857	5.247	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1ccc(C(F)(F)F)cc1	764307775	VCLXZZGXIPJIFI-JTQLQIEISA-N	411.767	5.271	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)nc1C(F)(F)F)c1ccc(Cl)c(Cl)c1	766854484	JMKGXKBYYOUBPI-NSHDSACASA-N	408.594	5.055	30	20	HKED	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2C1	769279950	GLXOWXIDBGHBQZ-QGZVFWFLSA-N	419.506	5.037	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl	770845439	BPBCQAHYBHHPHU-HNNXBMFYSA-N	408.807	5.029	30	20	HKED	
O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)cn1	774131231	PIIGDHVZSBVKLY-GFCCVEGCSA-N	415.236	5.162	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccc2ccccc2c1	777574873	PLUQXSICNJQAFD-GFCCVEGCSA-N	401.413	5.245	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)CCC2	780003816	WNEOUYYFSPEONJ-OAQYLSRUSA-N	403.507	5.117	30	20	HKED	
O=C(O)C(=O)/C(=C\c1cc(Cl)cc(C(F)(F)F)c1)c1ccc2ccccc2n1	780175537	IXCSJXBKRYCWLT-DHDCSXOGSA-N	405.759	5.101	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCC1(C#N)CCCC1	780530871	QMVXOWKSKHOAST-UHFFFAOYSA-N	420.893	5.342	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	780674223	LLEQXJAOVHRXKX-NQIIRXRSSA-N	424.504	5.412	30	20	HKED	
C[C@@H]1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCC1=O	783354818	IEEPWCSFMGVBHU-GYSYKLTISA-N	407.322	5.298	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)c(-c2ccncc2)n1	788349152	JJFVFZLLXXLUAN-IHWYPQMZSA-N	403.294	5.123	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1	800506755	YVYSCOHNXSTGLS-AUSIDOKSSA-N	408.929	5.072	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1	801793038	DACQHOOOBVHINT-DEOSSOPVSA-N	413.562	5.060	30	20	HKED	
C#C[C@H](NC(=O)N(C)[C@H](C)c1nc2ccccc2s1)c1ccc(Cl)cc1F	805776476	SFGJWQRCCUWTGK-WBMJQRKESA-N	401.894	5.166	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1	806401889	WAGRZIYIJZMHIY-CQSZACIVSA-N	401.869	5.214	30	20	HKED	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C/C(=O)c1ccc(N2CCC(O)CC2)cc1	806570989	BQOSMIIAJXHPRF-NRIAYDOOSA-N	415.455	5.509	30	20	HKED	
CC(/C=C\C(=O)c1ccc(S(C)(=O)=O)c(F)c1)=C/c1cccc(C(F)(F)F)c1	806573517	LQTSFJSXSUBPJQ-RXTIBHSBSA-N	412.404	5.090	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(O)c(COC(C)C)c2)cc1	811596799	VRUIJDBVZAGLPT-UHFFFAOYSA-N	416.477	5.542	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1	873722757	NNGMUQLDJIUXQH-UHFFFAOYSA-N	420.490	5.035	30	20	HKED	
CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(NC(=O)NC(C)C)cc1	915048093	BCMCQDWHILKZDW-UHFFFAOYSA-N	413.831	5.120	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2C)cc1	916846410	TZNGMNCSIZDENB-LJQANCHMSA-N	401.491	5.203	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)c1	916895063	WKIIPEAUIZFLIA-HNNXBMFYSA-N	406.488	5.086	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc(C)c1OC(F)F	917517441	FUTBDJCBAKZYNZ-WTKPLQERSA-N	412.436	5.113	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2c[nH]c3ccccc23)cs1	917560089	GVCDFQCYXIPNEG-FLIBITNWSA-N	421.909	5.859	30	20	HKED	
CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	919893727	NUVWWFASJQKFOW-UHFFFAOYSA-N	415.449	5.480	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1	921009976	CMMZQNJPBIOBCA-UHFFFAOYSA-N	412.367	5.652	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1	1791253374	DCYHOLAMDUWKMU-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C[C@H](C#N)Sc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1	6003553	XPRYEFSRIRKHKJ-CYBMUJFWSA-N	418.360	5.054	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)s1	15586947	UEWVKKIUTUFXMB-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
Cc1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	41538434	HJMOPPMUKNEYPV-LBPRGKRZSA-N	408.335	5.680	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1	60423869	AVJVCJDTXAKBSH-AUUYWEPGSA-N	413.930	5.483	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1ccccc1	65844920	MDDYIBTUCIEALV-UHFFFAOYSA-N	414.534	5.397	30	20	HKED	
C=CCn1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nnc1-c1ccoc1C	72059122	JEZNPTBGPMQLPB-UHFFFAOYSA-N	420.325	5.279	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1	78668351	IBYKMIDYXIMBIW-UHFFFAOYSA-N	413.449	5.197	30	20	HKED	
N#Cc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)ccc1F	97544275	NFYXBOAXIAGYNW-UHFFFAOYSA-N	414.362	5.032	30	20	HKED	
N#CCn1cc(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)cn1	139657894	ZWGSTOBHUSQFND-UHFFFAOYSA-N	417.321	5.258	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1	195696756	MINNSLBQRISCOM-AWEZNQCLSA-N	403.290	6.041	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	301995795	KIKZUBXEWQUYEA-UHFFFAOYSA-N	424.740	5.813	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H]1CCCO[C@H]1c1ccccc1	303049260	UWBFTOHXXCIZEU-AOMKIAJQSA-N	409.436	5.288	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1cccc2ncccc12	303287193	AJDHUOYODSENKC-QGZVFWFLSA-N	408.461	5.338	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1	303343208	YZXBTYOAJCRXTA-QWHCGFSZSA-N	409.338	5.651	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)c1	429490247	LHYYGDMNJWPPMJ-UHFFFAOYSA-N	416.864	5.172	30	20	HKED	
COc1ccc(-c2nnc(S[C@@H]3CC[C@@H](C#N)C3)n2C2CCCCC2)cc1OC	430132898	MXQFWXCKUFWKAZ-CRAIPNDOSA-N	412.559	5.252	30	20	HKED	
Cc1ccc(CCC2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cc1	435133754	SPKIAMUQIMCLSS-UHFFFAOYSA-N	413.569	5.012	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N	439313260	HFKPQIJGXPKAKX-SVFBPWRDSA-N	407.583	5.145	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1	439313605	HOQFRDQBAUEMQE-OALUTQOASA-N	413.905	5.064	30	20	HKED	
Cc1ccnc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)n1	440821438	IPXGBVZAHOAPRZ-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
C=CCN(C(=O)[C@H](C)C(F)(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	443866187	YUBYODZGUSVTBY-VIFPVBQESA-N	409.260	5.834	30	20	HKED	
Cc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cnn1C1CCCC1	444498166	XTCKSSBLFMZLIM-UHFFFAOYSA-N	402.523	5.582	30	20	HKED	
N#Cc1cc(NCc2ccc(C(N)=O)cc2)ccc1Oc1ccc(C(F)(F)F)cc1	462172382	YSRHPQQJMWJDBK-UHFFFAOYSA-N	411.383	5.080	30	20	HKED	
C[C@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(F)c(Br)c1	462246080	KAOLAAOAUVXJSR-KUHUBIRLSA-N	403.295	5.243	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)cc1	462262969	MXKXUPQEHBORTO-ZJSXRUAMSA-N	413.477	5.392	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)nc(-c2ccc(Cl)cc2)n1	464419033	UADKYSJDBLCBRB-OAHLLOKOSA-N	416.790	5.009	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	464568138	JLTOJWJTQBJNMC-CYBMUJFWSA-N	408.395	5.638	30	20	HKED	
CSc1cccc([C@@H](NC(=O)NCc2ccc(C#N)cc2)c2cc(F)ccc2F)c1	465520551	GKZFRGFYMWYQPU-JOCHJYFZSA-N	423.488	5.147	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)CC1	465875503	ZUAKYBOATOQXMY-FQEVSTJZSA-N	421.585	5.105	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCCc1cccc(C#N)c1)C1CC1	466819243	KVXIODJFGGYRFC-HNNXBMFYSA-N	401.432	5.055	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccccc2SC[C@H](C)C#N)c1	467760935	WTXPTAICFFBFTC-WOJBJXKFSA-N	420.582	5.303	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1C	469085836	QUCRLAKXFOFBPZ-UHFFFAOYSA-N	403.482	5.479	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1ccc(OC)c(OC(F)F)c1	475573071	QLESMYGHEZKTIH-UHFFFAOYSA-N	418.484	5.513	30	20	HKED	
COc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F	480252061	MLXYEEYDIKYKNF-UHFFFAOYSA-N	419.456	5.171	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H]1c1ccccc1	480608562	JZSFUBBUIPIXNM-OSPHWJPCSA-N	415.468	5.501	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCc2c(O)cccc21	481184946	BZDXUJTVXDSDHL-HXUWFJFHSA-N	400.503	5.222	30	20	HKED	
CN(Cc1c(Cl)cccc1Cl)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	481319283	NXHFUIPCPSDMRR-UHFFFAOYSA-N	415.242	5.205	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CCC(C(F)(F)F)CC1	482375396	JELWCRAJEZVVGZ-LBPRGKRZSA-N	422.291	5.293	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)ccc21	483221440	RIXWCFNEVBHFPW-AWEZNQCLSA-N	423.398	5.069	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C	483452921	FKCWNYYIBNSDHZ-QFIPXVFZSA-N	417.513	5.301	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	485457987	SLQVSFPCRGHKMR-UHFFFAOYSA-N	413.436	5.634	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1Cl	486247685	ZJCGBMHURVVOQP-QGZVFWFLSA-N	419.912	5.868	30	20	HKED	
CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	488030503	ZFNWJDIXGISGFE-NZQKXSOJSA-N	408.567	5.032	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1	488380853	QLZYXEBHNOCDKC-OAQYLSRUSA-N	402.469	5.305	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)cc1	488391163	WPIHGTDMJPUINK-NFBKMPQASA-N	417.553	5.219	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1	489310195	CJPNYKJAZCBGRT-UHFFFAOYSA-N	406.530	5.702	30	20	HKED	
Cc1c(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)sc2ccc(C#N)cc12	489608152	WKXTYJMKWNELEY-GOSISDBHSA-N	414.534	5.044	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)C2CC2)cc1	490785368	SHPVMTPADCVDJK-HXUWFJFHSA-N	412.415	5.017	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cccc(Oc4ccncc4)c3)c2)c1	492464115	KHFFBYISEDRNGO-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccccc1OC(C)C	499394186	ZHEWVZDWGSOMIN-UHFFFAOYSA-N	401.466	5.022	30	20	HKED	
C=CCc1cc(C(=O)Nc2c(C)cc(Br)cc2C)cc(OC)c1OC	500072684	HQTPPDRKHNVIMI-UHFFFAOYSA-N	404.304	5.064	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501438311	SMGCBCBURRODGK-UHFFFAOYSA-N	420.896	5.175	30	20	HKED	
CCc1ccc(-n2nc(C(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)c3c2CCC3)cc1	503155335	XDUJCAIYHUPYDI-GOSISDBHSA-N	412.537	5.018	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(-c3ccco3)s2)cc1	504341414	QXYPITZYIZNYHK-UHFFFAOYSA-N	417.465	5.256	30	20	HKED	
CCc1noc([C@@H](C)Sc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)n1	504501922	CDPUIZHWPAQZGG-SNVBAGLBSA-N	408.405	5.339	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)n1	505439025	DRGSNDZZLDNCPF-HNNXBMFYSA-N	422.897	5.613	30	20	HKED	
C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1	508876130	WTRMZXXDZRJCEH-KRWDZBQOSA-N	417.488	5.104	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)c1cccc(COc2ccccc2C#N)c1	513238116	IYEBTMARLSHEPD-UHFFFAOYSA-N	408.404	5.299	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	515518570	LFQWSYRFZMFEFF-QGZVFWFLSA-N	417.534	5.298	30	20	HKED	
C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccccc1Sc1ccccc1C#N	517649089	CIWGWGNOZSUXRW-GCJKJVERSA-N	414.530	5.312	30	20	HKED	
CCCOc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OCC	518320282	FLAURPDSERAPGR-KRWDZBQOSA-N	407.297	5.176	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CCC2	518395308	IKJSGGYFXWMEDK-HXUWFJFHSA-N	421.497	5.404	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COC2CCCCC2)c1	520814100	RXXKPJZVPQYLEP-UHFFFAOYSA-N	405.542	5.852	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C	521200365	GUHYROZSVUFVCR-QGZVFWFLSA-N	409.530	5.716	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1OCC	521826566	IWHLPCFZLCMOBT-YOEHRIQHSA-N	420.347	5.419	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12	522830755	VVAFCXUSXRFOTH-CYBMUJFWSA-N	411.305	5.399	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)[nH]c12	524034985	KEJOBXNKERLJDM-INIZCTEOSA-N	422.510	5.408	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ncc(-c2ccccc2)o1	525344454	ZWNDYHSHNNIFSU-KRWDZBQOSA-N	424.460	5.888	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn([C@H](C)CC)c1C1CC1	535712492	NQUJALZXLIJDLV-CYBMUJFWSA-N	407.436	5.567	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1SCCC#N)c1cccc(C(=O)c2ccccc2)c1	536422637	YWGJZGKJTMYZKU-SFHVURJKSA-N	414.530	5.666	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)NCc2cccc(C#N)c2F)cc1OC	540378734	IMTKVVNHQZDUJU-QFIPXVFZSA-N	404.485	5.097	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)N[C@H](c1cccc(F)c1F)C(F)(F)F	544055848	HSAFQXOMYJEVSW-HKJQSTPSSA-N	403.313	5.443	30	20	HKED	
Cc1nc(-c2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)ccc1C#N	545754375	DPSLPZGOIWGYAM-UHFFFAOYSA-N	423.354	5.185	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)COc2ccsc2Cl)cc1	551513712	BBNUQRWNGBMJPG-UHFFFAOYSA-N	414.889	5.020	30	20	HKED	
CN(c1ccccc1)c1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-]	552083674	TWHPMRPAZRIWCA-HSZRJFAPSA-N	414.509	5.887	30	20	HKED	
Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	554399968	MMDJIACXXKAOBR-PZJWPPBQSA-N	419.916	5.002	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(CSC3CCCC3)c2)CC1	554577774	NYVJOUAFKOFCRQ-UHFFFAOYSA-N	420.582	5.347	30	20	HKED	
Cc1nc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)sc1C(F)(F)F	569476420	NLRKFXLPTSWJLF-JTQLQIEISA-N	415.334	5.425	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccccc1C	571451386	YSFZWTQAOXLZQC-HXUWFJFHSA-N	420.582	5.415	30	20	HKED	
N#Cc1cc(Br)ccc1CSc1nnc(-c2cc3ccccc3o2)o1	576132424	WZFVLJYXOAFIFP-UHFFFAOYSA-N	412.268	5.409	30	20	HKED	
CSC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1F	577558960	IYCYHWCPAOMKNE-OAQYLSRUSA-N	414.527	5.239	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2cccc(COCc3ccco3)c2)c1	589739975	GHUPISGAYMVZMU-UHFFFAOYSA-N	406.482	5.273	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1ccc(Cl)cc1	592974710	XPRVOSNNGGMJOC-OAHLLOKOSA-N	410.861	5.073	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c4cccnc34)cn2)c1	603622844	HQMCHKBZWQMCBW-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCc1nc2ccccc2s1	603968023	IKRGZYHOQFTLHJ-UHFFFAOYSA-N	403.532	5.858	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	603992680	UDKRGNQMXDVYHH-UHFFFAOYSA-N	415.543	5.129	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4ccc(F)cc4)CCC3)cn2)c1	604433988	QIHPQCPNXOYMFE-UHFFFAOYSA-N	402.429	5.086	30	20	HKED	
CCN(Cc1csc(-c2cccc(OC)c2OC)n1)[C@@H](C)c1ccc(C#N)cc1	604468262	PMBWDKMNBGPJSQ-INIZCTEOSA-N	407.539	5.282	30	20	HKED	
CC(C)CCOc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1	608806397	GJWKNADZUUGULG-UHFFFAOYSA-N	404.466	5.407	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3ccccc3C#N)oc3ccccc23)s1	609093349	ZKEOUVDIUIGFNZ-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1Cl	609164702	UJBZNQSBVZZODJ-SFHVURJKSA-N	420.299	6.382	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc2c3c(cccc13)CC2	609427539	IPWYLLMYFVIZDD-INIZCTEOSA-N	418.587	6.063	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1S[C@@H](C)CC#N	609431103	RHRXCLYCEIQJDL-AWEZNQCLSA-N	403.935	5.102	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2nc3cc(Cl)ccc3s2)c1	609433412	YMZRWHBOGCLFBQ-UHFFFAOYSA-N	419.937	5.690	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	609439110	ZIADEDBGTHWPAL-DYESRHJHSA-N	409.555	5.849	30	20	HKED	
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccn(CCC#N)n2)cc1	609788203	KFJUEQJFCREPSS-UHFFFAOYSA-N	424.508	5.025	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCS[C@H](c3ccccc3)C2)c1	609791931	WUFJBOJGDJOFRC-DEOSSOPVSA-N	414.530	5.068	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c2[nH]ncc12	609930101	WKSNCDHBXCLJCF-UHFFFAOYSA-N	413.456	5.116	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NC(c3cccs3)c3cccs3)cc2)nc1	609978565	PKFZAKDDNWGPQR-UHFFFAOYSA-N	417.515	5.388	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1	613314332	LDPLRESJJNMMBP-FQEVSTJZSA-N	412.518	5.411	30	20	HKED	
CSc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F	677998807	AKBMJRSLOUUKCA-UWVGGRQHSA-N	403.363	5.187	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccnc(Oc2ccccc2)c1	682777655	PFNHCFBYVIHZSP-UHFFFAOYSA-N	401.510	6.048	30	20	HKED	
Cc1nc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2s1	683372981	VYKAHUDDYXYJDG-LBPRGKRZSA-N	417.437	5.723	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)cc1C	725856800	YLYQCHWCKCBKTA-UHFFFAOYSA-N	418.504	5.297	30	20	HKED	
COc1c(C)cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1C	726073437	BUZKYPVPSCSSNT-XMMPIXPASA-N	413.521	5.631	30	20	HKED	
C[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(C#N)c1	727635779	ONJCGZDDWTXMFK-GFCCVEGCSA-N	417.317	5.835	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)COCc2nc3ccccc3s2)c1	728248268	INSDQPKLXOHLGM-UHFFFAOYSA-N	412.514	5.028	30	20	HKED	
CCc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728298579	GRKSLKRTEWUAFW-QGZVFWFLSA-N	417.484	5.278	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1	730478046	KBDFVUZERJSNHX-OAQYLSRUSA-N	410.832	5.140	30	20	HKED	
CC(C)Cc1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731962086	HLSHFWZVPGPUOF-VWLOTQADSA-N	418.562	5.297	30	20	HKED	
CC(C)C[C@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1	741050910	UUVVFJPIJIMJFG-NRFANRHFSA-N	402.494	5.111	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(SCC(F)F)cc2)cc1OC(F)F	741843097	NFIRSVDNIIDTBX-KRXBUXKQSA-N	400.393	5.550	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cnn1-c1ccc(C#N)cc1	741844456	PFMMQPLUBCUHQN-BENRWUELSA-N	424.416	5.117	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3c(O)cccc3C2=O)cs1	742434984	PAROXQDLMGUYFZ-FOWTUZBSSA-N	404.491	5.054	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1	742537937	ROUUYBLLIPWHIX-DZFTYQQFSA-N	401.535	5.748	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1ccc(Cl)cc1	743095523	LCLALIZHESEVFC-SBUREZEXSA-N	419.912	5.584	30	20	HKED	
CCOC(=O)c1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2C#N)cc1	745724368	PMXWJADWGXRSMS-UHFFFAOYSA-N	415.518	5.139	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)COC2)[n+]1ccc(C(CC)CC)cc1	746026782	WTWPDUQIJIFWET-UHFFFAOYSA-O	423.602	5.285	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC	749452119	NJPCFZOESQSAPE-DEBLGDTFSA-N	406.425	5.379	30	20	HKED	
N#Cc1ccc(/C=C2/CC3(CCOCC3)C/C(=C\c3ccc(C#N)s3)C2=O)s1	751516350	ACUUBTRAEHYNPU-CKOAPEAFSA-N	406.532	5.180	30	20	HKED	
Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	752033909	HHDOYEQPDBJVMY-IFMALSPDSA-N	419.525	5.254	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)cc1	755164838	GSYTVEWXWYVGSS-FQEVSTJZSA-N	404.416	5.222	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN(Cc1ccccc1)C[C@@H](O)c1ccsc1	756903887	QKQDLPFJFKXEAP-OAQYLSRUSA-N	412.942	5.040	30	20	HKED	
N#Cc1ccc(Oc2cccc(-c3nc(-c4cccc(N5CCOC5=O)c4)no3)c2)cc1	762193210	IJBRMKYNDZSYMF-UHFFFAOYSA-N	424.416	5.024	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)C1	766627337	ZHMYRWNUUKAJAY-HOJAQTOUSA-N	411.571	5.537	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1	769247711	ITMTWCQSPLTKCT-HNAYVOBHSA-N	417.431	5.755	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	775353878	XMXQLVWRHSRLEB-JXFKEZNVSA-N	416.550	5.075	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1	775486469	BLIYZFKWFOJVKA-SHQCIBLASA-N	423.516	5.395	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)ccc1OC	779103554	ZKDZNRSUNCUWGU-DHLKQENFSA-N	420.940	5.909	30	20	HKED	
CCCCCCCCC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	779573064	JCQCHYCKIUJXTB-HXUWFJFHSA-N	410.562	5.119	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1OCC	780157024	AWLRZQGCDJSXQD-HNNXBMFYSA-N	416.905	5.461	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	780164651	NIXQRAVQNJPOAA-NYHFZMIOSA-N	424.472	5.728	30	20	HKED	
N#C[C@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc(-c2ccncc2)cs1	781784726	HLYASPWKNXDIFD-GOSISDBHSA-N	409.470	5.319	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c[nH]c2ccccc12	786378360	WSXACYXNRWNUKX-UKRRQHHQSA-N	421.472	5.940	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C/c2cccc(OCc3ccc(F)cc3)c2)cc1	792924426	CJYDORUASZRNJC-OVCLIPMQSA-N	403.453	5.003	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(OC(C)C)c(Cl)c2)ccc1OC	793541187	PVDXJMFLRYEMJP-QFBILLFUSA-N	416.949	5.668	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)OC(C)(C)C	797572539	BVMJBTDEGPPULV-HNNXBMFYSA-N	413.543	5.586	30	20	HKED	
N#Cc1ccc(N2CC[C@H](c3nc(C(c4ccccc4)c4ccccc4)no3)C2)c(F)c1	804606943	HCJAHGCWGYUQAZ-NRFANRHFSA-N	424.479	5.254	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1	810115344	WJTKQYVZKZXXBZ-KRWDZBQOSA-N	416.349	5.891	30	20	HKED	
O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1c(F)cc(C(F)(F)F)cc1F	810173230	AJGOUVCMIKBCAZ-UHFFFAOYSA-N	406.301	5.114	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(OC(F)(F)F)cc1	812461162	ILKPSPOWZGXLJC-UHFFFAOYSA-N	408.811	5.238	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2o1)c1csc(-c2ccccc2F)n1	815915327	KXDNAFUPDDEEIU-AWEZNQCLSA-N	405.454	5.244	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1=S	914567086	YYINLTMBJPEFCB-LJQANCHMSA-N	411.962	5.110	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(CC)Cc2ccc3ccccc3c2)c1=S	919953995	SBGRTHPUROOULH-UHFFFAOYSA-N	415.566	5.295	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822331552	PCRPLVZCZMKCAM-ICSRJNTNSA-N	412.578	5.141	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2C)CC1	1825780670	HCRTYWVJTAIVFV-NRFANRHFSA-N	414.615	5.058	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1	1826265104	PSNVOYYZNKRCAK-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1828829568	DTSAUELXJXZPNZ-GOTSBHOMSA-N	414.634	5.345	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccccc2CC)cc1	11168964	UYGYANNACWATPF-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3c3ccccc23)nc2sccc2c1=O	20050702	OFODJZUMAISWHW-UHFFFAOYSA-N	415.543	5.638	30	20	HKED	
O=S(=O)(/N=C(\O)C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1	34294602	RFUMIWFPZVFVAC-UHFFFAOYSA-N	401.487	5.317	30	20	HKED	
C[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48125734	WUZJAOGJCVBHIH-HNNXBMFYSA-N	416.506	5.023	30	20	HKED	
C[C@H](c1cccs1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48125745	RUMJVCPTJDORMJ-OAHLLOKOSA-N	404.495	5.097	30	20	HKED	
O/C(=N\c1nnc(Cc2ccccc2)s1)c1ccc(Br)cc1Cl	50879646	ZJOKIXMMGQYWEL-UHFFFAOYSA-N	408.708	5.181	30	20	HKED	
O/C(=N\c1nnc(-c2ccsc2)s1)N1CC=C(c2c[nH]c3ccccc23)CC1	52496649	HXGKEPLQOILQMP-UHFFFAOYSA-N	407.524	5.083	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1	59795032	IUHYPBURDQSLFZ-UHFFFAOYSA-N	416.909	5.045	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1	66004907	MJMUFQUQWQWSNK-FQEVSTJZSA-N	409.470	5.237	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(F)c(Cl)cc2Cl)cc1	107832113	ITRCGZZGBSBAFE-UHFFFAOYSA-N	405.178	5.209	30	20	HKED	
CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[C@H](C)c1ccc(C#N)cc1	303812231	CUDNUWVJGJYZIL-MDASCCDHSA-N	402.416	5.170	30	20	HKED	
COCCOc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1Cl	428051534	DZBCAXBKJIPVAG-UHFFFAOYSA-N	400.887	5.012	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3cccc(C)c3C2)cc1	429763619	INGYGTIQQXQBFI-UHFFFAOYSA-N	413.477	5.258	30	20	HKED	
Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(OCC(F)(F)F)c1	429818273	PPKDWAVRQQUMOC-UHFFFAOYSA-N	404.413	5.583	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1ccncn1	430521281	RGFRWRNWTKCURK-NSHDSACASA-N	401.253	5.052	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc(C)c1OCc1cccnc1	430619596	GTHGRMZWVIMLLL-LJQANCHMSA-N	419.550	5.522	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C	436420421	SWBLXDRAHULYLE-LAUBAEHRSA-N	404.510	5.026	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	438072606	BOYYXYNJIOTVAG-PMACEKPBSA-N	422.598	5.067	30	20	HKED	
CCOc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C(F)(F)F)c1	438214988	KZXLIABXMPQDNH-XLIONFOSSA-N	417.431	5.408	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	439312201	AEMIHQFNRBAMBK-ZVDOUQERSA-N	407.583	5.287	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cnn1-c1cccc(C#N)c1	439686890	UWPHISRTROHSRY-JTSKRJEESA-N	417.513	5.295	30	20	HKED	
Cc1c(CNCc2cn(C)nc2-c2ccc(C#N)cc2)sc2ccc(Cl)cc12	441351436	CIAMRTNNTQHDGS-UHFFFAOYSA-N	406.942	5.425	30	20	HKED	
Fc1ccc2oc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)nc2c1	444745012	RUZUXAFXOOFTDI-CQSZACIVSA-N	406.301	5.769	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])nc1-c1ccccc1	462108400	AALGJGHQLOSXEH-IBGZPJMESA-N	402.454	5.586	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1)c1cccc(C#N)c1	463955501	PHLDWOYAMDLXJY-CQSZACIVSA-N	401.466	5.716	30	20	HKED	
CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@H]1CCOC(C)(C)C1	464682975	HJJPZROFPZLXLF-IBGZPJMESA-N	412.917	5.424	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)cc1	464939086	ATORNKOBVQDZAY-UNMCSNQZSA-N	417.534	5.121	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)co2)cc1	465198132	UAJFDRIJOGVSJQ-UHFFFAOYSA-N	423.472	5.438	30	20	HKED	
Cc1cc([C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccccc2Cl)ccc1F	466108919	XOYWTDVEJVYCNO-HSZRJFAPSA-N	421.903	5.590	30	20	HKED	
CSc1ccc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	466650812	KIHXJEUWAFZMCL-GOSISDBHSA-N	418.566	5.294	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ncc(-c2ccccc2)o1	468798872	CAWUXMULXOYLSM-QGZVFWFLSA-N	400.482	5.098	30	20	HKED	
CCC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	471398641	OSLHSSVXGWNXHQ-UHFFFAOYSA-N	420.921	6.208	30	20	HKED	
C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	474893770	OQTMFTMZGHQTBK-CVDCTZTESA-N	411.505	5.204	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCC1CCN(CC(F)(F)F)CC1	475551915	ZLJRZIDRJLCQKE-UHFFFAOYSA-N	411.512	5.324	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1	475562685	ORXDQTYPKRSSQI-WIOPSUGQSA-N	406.570	6.136	30	20	HKED	
Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccccc1Sc1ccccc1C#N	476201799	OUZUYXJKDKEGJN-FQEVSTJZSA-N	400.503	5.190	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)NCc1ccccc1OC1CCCC1	476369601	MBURDLCECHKDKD-SFHVURJKSA-N	423.582	5.131	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C	480039613	HCUWTEGUGPIQKF-QGZVFWFLSA-N	402.498	5.174	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl	480477692	LVCDBSYAJYTKFW-UHFFFAOYSA-N	424.353	5.402	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(F)c(F)c1	480489449	CJFQRVTWJFLMTN-HXUWFJFHSA-N	419.859	5.184	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nc2c(COC)cccc2s1	480537472	PTXHWYMBHCUYPT-UHFFFAOYSA-N	407.948	5.378	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc1	480848444	WVICQJCWOOWOLN-GCJKJVERSA-N	421.541	5.407	30	20	HKED	
Fc1cccc([C@H](NCc2nc(-c3c(F)cccc3F)cs2)C(F)(F)F)c1F	481027891	WEPKJACVJWUVBA-KRWDZBQOSA-N	420.353	5.760	30	20	HKED	
C=C(C)[C@H](NCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)c(F)c1	481593288	DYFUIUKWNHHGGA-SFHVURJKSA-N	410.251	5.729	30	20	HKED	
C=CCN1CCC(N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)CC1	482627096	CRFSCXRUNPIYLL-CQSZACIVSA-N	420.420	5.182	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1OCC	483216677	LKGJWVULIADYGA-GOSISDBHSA-N	408.885	5.566	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nccc4ccccc34)c2)cc1	483223421	DCCYOWFQFUGBAO-XMMPIXPASA-N	403.441	5.176	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1)c1ccc(F)c(F)c1	483294265	IIZLWHURJWVBMV-VJBWXMMDSA-N	422.479	5.007	30	20	HKED	
N#C[C@H](C(=O)c1ccn(C2CCCCC2)n1)c1nc(-c2ccc(Cl)cc2)cs1	483464297	UQSROAXCSQGQDB-QGZVFWFLSA-N	410.930	5.655	30	20	HKED	
Cc1nc(NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)sc1SCC#N	486026779	GTCDBEUQFWVDQG-UHFFFAOYSA-N	412.367	5.434	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc4ccccc4n3CC(F)(F)F)CC2)cc1	486431184	IGULAIUSZGVKSR-UHFFFAOYSA-N	409.411	5.005	30	20	HKED	
COc1ccc(-c2noc([C@@H](C)Nc3ccc(Oc4cccc(C#N)c4)cc3)n2)cc1	489707652	AQEVYZLQSPONFD-MRXNPFEDSA-N	412.449	5.582	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](CCC)c1cccc(C(F)(F)F)c1	490973477	JGEUXXLBHKLPCV-HXUWFJFHSA-N	424.463	5.420	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3	495285563	SWZCSDBBUCKDNO-MRXNPFEDSA-N	417.465	5.058	30	20	HKED	
N#Cc1cc(NC(=O)c2csc(-c3ccccc3F)n2)ccc1OCC(F)(F)F	498305187	TXDIJYVMQCZMSB-UHFFFAOYSA-N	421.375	5.014	30	20	HKED	
N#CCCn1cc(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc21	499488390	ADFZLMIYKJEDDC-UHFFFAOYSA-N	413.424	5.420	30	20	HKED	
CCCCn1c(SCCCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O	501330393	QDLWGSYPPZXTON-UHFFFAOYSA-N	401.532	5.460	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CSc3ccc(F)cc3)c2)cc1	501476021	UEUCKRMRIKBUSO-UHFFFAOYSA-N	406.482	5.202	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	503283760	UOPYZTJTFXNVEU-UHFFFAOYSA-N	415.474	5.123	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(COC4CCCCC4)c3)CC2)cc1	503503535	ODGMCXDYJJISIK-UHFFFAOYSA-N	415.537	5.729	30	20	HKED	
CCCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccccc1Br	505311122	OPMXBKMNCTWIQJ-HZPDHXFCSA-N	414.347	5.565	30	20	HKED	
Cc1cc(F)cc([C@]2(F)CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1	505325909	QKWZIQDVOAQAEO-ZHRRBRCNSA-N	415.509	5.631	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1cccc(C(F)(F)F)c1	505971937	SLYQZZZAEWTTGW-SFHVURJKSA-N	418.346	5.011	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1	508253895	UMLJBOPNFWSJNT-HXUWFJFHSA-N	419.506	5.790	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCC([C@@H](F)c3ccccc3F)CC2)c2ccccc21	511087956	DHGLAFWXPMDHAP-RUZDIDTESA-N	421.491	5.300	30	20	HKED	
C=CCOc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1	511482474	KECOUNWRVZIGFN-LJQANCHMSA-N	403.526	5.202	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl	512547434	NHZAEPGEQFSYCQ-OAHLLOKOSA-N	409.361	5.176	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccnc(Oc2ccc(OCC)cc2)c1	515790436	OIKOTVMKLTXQFQ-UHFFFAOYSA-N	423.538	5.232	30	20	HKED	
CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1cc2ccccc2o1	517506180	DKQLGZZZUCWEGA-IBGZPJMESA-N	417.509	5.069	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCc1nc2c(s1)CCCC2	517531384	CPYVKMWZZGOVFY-HNNXBMFYSA-N	414.600	5.170	30	20	HKED	
C[C@H](NC(C)(C)CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	517614574	PWAAQPGRPUUMPS-MSOLQXFVSA-N	410.587	5.332	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N(C)c2ccccc2)nc1	518240001	POABLOAADSMYEJ-KRWDZBQOSA-N	402.523	5.496	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)s1	519485356	VZLSWQVNYCEFIC-HXUWFJFHSA-N	424.566	5.047	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C2CCCCC2)n1	519506106	MJRQOUWKRZFUIA-UHFFFAOYSA-N	400.482	5.384	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	520633102	ALEVFKFMYJKCBI-LQWHRVPQSA-N	423.582	6.095	30	20	HKED	
COc1cccc([C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	521473740	QJHJHWFWXNKJIY-AOMKIAJQSA-N	404.897	5.746	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(C#N)cc1	522433951	NSMCDVJKUBEANQ-OAHLLOKOSA-N	400.320	5.002	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc(C)nc21	522486873	YATIAFYEFDMACQ-YJBOKZPZSA-N	415.522	5.324	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCOc2ccccc21	522732174	ZOGZTLMVMSXPLV-OAQYLSRUSA-N	414.480	5.495	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3occc3-c3ccccc3)cc2F)c1	524146285	LKUNVELWCXWWHI-UHFFFAOYSA-N	412.420	5.789	30	20	HKED	
CN(C)Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	524248760	HXSVYIAREJNBLE-UHFFFAOYSA-N	419.912	5.105	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	524438178	TVOUZSHFZSBXAF-UHFFFAOYSA-N	405.523	5.366	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	525503943	OGICXYLHZLYDFK-SNVBAGLBSA-N	419.453	5.218	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	525558409	MHWRKIUOKLJMKJ-NHCUHLMSSA-N	420.434	5.621	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(C(F)(F)F)cc1	534260474	GSKWIDMKVVNAPE-CZUORRHYSA-N	409.456	5.015	30	20	HKED	
Cc1nc(CCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)oc1-c1ccccc1	536888877	FCYWTWRWNAWRME-UHFFFAOYSA-N	421.500	5.438	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	537199230	DSRVEFGHSSTTKL-UHFFFAOYSA-N	402.498	5.256	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2cnn(C(C)C)c2n1	537476967	YXMQCMCBBMERTF-AWEZNQCLSA-N	409.902	5.074	30	20	HKED	
C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCCCC1(C#N)CCOCC1	538610024	JFVOLQXJDOPGJV-ROUUACIJSA-N	417.981	5.256	30	20	HKED	
C=CCn1c(SCc2ncc(Cl)cc2Cl)nnc1-c1ccccc1OC	540729542	PYZKTHUTIFZZKW-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)n1	541200076	WHRVXXDYACTWOS-OAHLLOKOSA-N	415.301	5.479	30	20	HKED	
N#CCC1CCN(C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CC1	543842757	KZSCECLBGOTCGW-HXUWFJFHSA-N	403.309	5.266	30	20	HKED	
CO[C@@H](c1ccc(F)cc1)c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1	545802484	DSWYPJMHHNWDTQ-QFIPXVFZSA-N	415.424	5.062	30	20	HKED	
Cc1nc(NC(=O)c2cc(C#N)ccc2Cl)sc1Cc1ccc(F)cc1F	552222333	SESBEQGOXHHZCU-UHFFFAOYSA-N	403.841	5.098	30	20	HKED	
N#CCCN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc(F)cc1	553819828	JWQLIJAVSFDYNZ-UHFFFAOYSA-N	404.401	5.038	30	20	HKED	
N#CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1	554494810	JTZNTEAUINTVDC-LOSJGSFVSA-N	414.480	5.455	30	20	HKED	
N#C[C@H](C(=O)c1cccc(CN2CCCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	572790540	GKSXUKNVLQUPEN-HXUWFJFHSA-N	421.953	5.549	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N[C@@H](C)c1ccc(C#N)cc1	576269812	UJQCNCASKFDEMV-LBPRGKRZSA-N	404.333	5.315	30	20	HKED	
CC(C)(C#N)c1ccc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)cc1	590202884	JPBYMUIWNMVKTR-UHFFFAOYSA-N	400.925	5.162	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cccc(OCc2cccc(F)c2)c1	604010419	GRUXHKSZSBANDL-UHFFFAOYSA-N	421.497	5.071	30	20	HKED	
Cc1sc2nc(S[C@@H](C#N)Cc3ccccc3)n(C3CCCC3)c(=O)c2c1C	604065770	GNDAYVVNPTYFGW-GOSISDBHSA-N	409.580	5.417	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccccc3C(F)(F)F)cn2)c1	604499774	PAZJBUZILKABEM-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1nnc(-c2c(Cl)cccc2Cl)o1	608832482	YHDRWVBXPRYOKX-UHFFFAOYSA-N	401.297	5.327	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)c4cc5ccccc5n4CC#N)CC3)c[nH]c12	609165958	IWMWEEWDDWOKHO-UHFFFAOYSA-N	410.521	5.228	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609297559	XZLGFJLICQZYNN-UHFFFAOYSA-N	418.468	5.345	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cc(F)ccc1F	609378247	YEHXTEJIKWQTNX-UHFFFAOYSA-N	414.399	5.561	30	20	HKED	
COc1cccc(CN(CC(C)C)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	609398676	IWBZOCLWOOFREW-GOSISDBHSA-N	411.571	5.637	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)cc2)c1	609434239	IZINJGWXNFVXDL-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
COc1ccc([C@@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(F)cc2)cc1	609669891	HVEMLBLSBXQHHX-IBGZPJMESA-N	401.363	5.321	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CSc2ccccc21	609815965	DGSBYLWUNVDJSL-AWEZNQCLSA-N	408.470	5.539	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	610175040	UYOSJPRGCJYPLK-MRXNPFEDSA-N	409.555	5.109	30	20	HKED	
CC(C)(C#N)CNC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	611620493	JYBTYWMJHMRLRR-UHFFFAOYSA-N	419.407	5.021	30	20	HKED	
CC[C@@H](NCc1ccc(C#N)cc1Br)c1nc(C(F)(F)F)cs1	612490195	QEMRVIDQWNTIEL-GFCCVEGCSA-N	404.255	5.037	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC	613392580	VEEIVCCPPIOULO-GOSISDBHSA-N	406.507	5.488	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1	615486122	IKDPDKCGYKXNBG-UHFFFAOYSA-N	411.502	5.102	30	20	HKED	
CCc1c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1C(CC)CC	616761010	VYPBYZBOPOXHFF-UHFFFAOYSA-N	418.501	5.510	30	20	HKED	
N#Cc1ccc(CNCc2csc(-c3cccc(Br)c3)n2)cc1Cl	619748407	KJGQPESUYFGZCS-UHFFFAOYSA-N	418.747	5.387	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1	620670524	KSSMSTQJHRTSQD-HNNXBMFYSA-N	424.397	5.279	30	20	HKED	
N#C[C@H](C(=O)c1csc(C(F)(F)F)n1)c1nc2cc(C(F)(F)F)ccc2s1	671278840	CBWUFLNFLFXPJX-SSDOTTSWSA-N	421.347	5.280	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc2cc(F)ccc2s1	679979373	IBYORUADMUYQTM-SFHVURJKSA-N	400.434	5.156	30	20	HKED	
N#C[C@H](C(=O)c1noc2c1CCCCC2)c1nc2cc(C(F)(F)F)ccc2s1	682012795	RHTSVZXKGNNGSP-GFCCVEGCSA-N	405.401	5.062	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1	726471885	UYNQCGCKKXADRB-MRXNPFEDSA-N	417.509	5.107	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(Br)ccc2Cl)cc1Cl	727280236	BCGBETOEQZZNFK-UHFFFAOYSA-N	401.116	5.436	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cccc(C#N)c1	730148960	QVDHYNVJKFVWBM-KTKRTIGZSA-N	409.308	5.649	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)Cc2ccccc2OC)cc1	730686497	GSTPLRCSBPPEBR-NPPFBWRTSA-N	406.526	5.125	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=S	731027278	JXCWDLGEGDZAFJ-HXUWFJFHSA-N	419.554	5.526	30	20	HKED	
Fc1c(F)c(F)c(CNc2ccc(OC(F)F)cc2OC(F)F)c(F)c1F	733303677	BNDSFPZTVJRZPS-UHFFFAOYSA-N	405.216	5.197	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Cl)cc2Cl)ccc1OC	733615590	IGBUNWJCMPZDDD-CQSZACIVSA-N	408.285	5.005	30	20	HKED	
COc1c(C)cc(CN(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1C	740060799	XSWYNLCQFBWZPK-UHFFFAOYSA-N	419.550	5.254	30	20	HKED	
CC(=NNc1c(F)cc(F)cc1Br)c1cnn(-c2ccccc2)c1C	741770490	CYEKCSKLVIGYLZ-UHFFFAOYSA-N	405.246	5.058	30	20	HKED	
O=C(/C=C/c1cnc2ccc(Br)cn12)c1ccc(SCC(F)F)cc1	741847976	UAMYOMXAERRQMV-QPJJXVBHSA-N	423.282	5.350	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)cnn1-c1ccc(C#N)cc1	741852344	LWVVWDJLEMMSQU-FLIBITNWSA-N	414.465	5.211	30	20	HKED	
C[C@@H](Nc1ccc(OCc2ccccc2F)cc1)C(=O)N(CCC#N)c1ccccc1	743474559	VFNMSIGQJHFPDR-LJQANCHMSA-N	417.484	5.152	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	747109717	CXUAFJJCALDVKO-FQEVSTJZSA-N	410.502	5.281	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(-c3ccncc3)cc2F)cnn1-c1ccc(C#N)cc1	751533283	CGDQCJMPDCLFAI-RMKNXTFCSA-N	408.436	5.150	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	752635253	CWZCXQLZAVZHBN-LKUPVBHCSA-N	415.459	5.832	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	754430521	DRZIFAJMQYHJJX-OAQYLSRUSA-N	423.513	5.256	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCSc1nccs1	758582857	ASVKGFXTLWCCJT-UHFFFAOYSA-N	424.551	5.419	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)cc2)cc1	758588801	KFKHEUDFXWNYAL-UGKGYDQZSA-N	417.465	5.064	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl	759540059	WAMLLMNKYBSNMP-SFHVURJKSA-N	404.853	5.402	30	20	HKED	
Cc1nc(Cl)ccc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	760197006	KTLNPSABQMXWCJ-IBGZPJMESA-N	410.304	5.534	30	20	HKED	
O=C1/C(=C/c2cnc(C3CCC3)s2)CSC/C1=C\c1cnc(C2CCC2)s1	760264234	QYXJCVVDKKMOMX-BGPOSVGRSA-N	414.621	5.918	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)oc1-c1ccc(Cl)cc1	763870104	KMHXNBQWKBPASI-CQSZACIVSA-N	423.856	5.074	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	764235436	PPBOSJHHDTXVIH-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cn2)cc1	766407134	ZJDGRONSDMXDSM-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1	766615058	BSILFALMCFPXCM-FZMZJTMJSA-N	418.241	5.174	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc2c1ccn2CC(C)C	774041910	CKJXWMYEDIWJBZ-QFIPXVFZSA-N	415.537	5.383	30	20	HKED	
CCc1c([C@@H](C)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)oc2ccc(C)cc12	776165940	YRHXUKGEKGRRLJ-IEBWSBKVSA-N	406.526	5.844	30	20	HKED	
CC(C)c1cccc(-c2ccc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)o2)c1	776488348	SZVCUVINDVHNFX-XMMPIXPASA-N	400.478	5.155	30	20	HKED	
N#Cc1c(NC(=O)c2c(C(F)(F)F)ccnc2Cl)sc2c1CCCCCC2	776786864	CRSDLNZFIPFMKU-UHFFFAOYSA-N	413.852	5.598	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)N(CCC#N)c3ccc(F)cc3)cccc21	778775960	OBVHDRGCGWIRKS-UHFFFAOYSA-N	423.488	5.074	30	20	HKED	
CCOC(=O)Nc1ccc(NCc2csc(COc3ccc(C)cc3)n2)cc1C#N	779603394	XFECYDMEEJULAK-UHFFFAOYSA-N	422.510	5.083	30	20	HKED	
C#CCCCCCC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1	779907889	VAVZQRAXSUXINC-UHFFFAOYSA-N	403.526	5.107	30	20	HKED	
CC[C@H](C)n1c(SCC(=O)OCC2(C#N)CCCCC2)nnc1-c1ccccc1	780486056	WVUVLKHRAWXDNI-KRWDZBQOSA-N	412.559	5.025	30	20	HKED	
C=CC[C@H](NC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1	781374735	AKJWBIDQJZVHJS-FQEVSTJZSA-N	402.325	5.505	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cnc(-c3ccc(Cl)cc3)s2)cc1NC(C)=O	789129871	YKLYKUPQZFNCPY-HJWRWDBZSA-N	412.898	5.327	30	20	HKED	
COc1cccc([C@H](C)CCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1	789408265	MVIIIFXBYDYNLN-UZLBHIALSA-N	405.523	5.364	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCC2)s1	797568318	HLIKZMHFVNNTQL-OAHLLOKOSA-N	417.372	5.501	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c1C	801676785	YZRDJPYVNQVGTL-GOSISDBHSA-N	416.378	5.029	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813217227	DOHRIFTWVFKTQJ-QGZVFWFLSA-N	402.416	5.274	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccc(F)cc2)s1)CCCC3	839385163	SDKPPQNBJFGHNU-UHFFFAOYSA-N	409.511	5.087	30	20	HKED	
N#Cc1c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)sc2c1CCC2	877889914	SDBLGACOAFMYIO-UHFFFAOYSA-N	407.109	5.369	30	20	HKED	
CC(=NNc1ccc(F)cc1F)c1ccc(OCC(=O)Nc2ccccc2C)cc1	916618245	HWYIAYRFAZKWBM-UHFFFAOYSA-N	409.436	5.127	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccs3)n2)cc1	916950178	RYOLZIRPAMPNDE-KDOFPFPSSA-N	423.563	5.275	30	20	HKED	
Cc1ccc(OCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	917044665	TUPQCSTXSMIDNT-MRXNPFEDSA-N	418.440	5.577	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	917096945	LEHKIUAZRVNZQH-IUODEOHRSA-N	418.349	5.472	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)Nc1ccccc1Oc1ccccc1	917571757	DAQJTYKEMSQTKH-UHFFFAOYSA-N	414.983	6.579	30	20	HKED	
C=CCN1C(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S	918713061	JPWRWBGRIAAKHI-MDWZMJQESA-N	412.483	5.216	30	20	HKED	
Cc1cccc(C)c1CCn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1	1542519816	HSXNLDDBZPJKBK-RUZDIDTESA-N	405.590	5.000	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1	1790257086	GJFVFRCCYMVGCX-HSZRJFAPSA-N	413.521	5.074	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=C(C)CC3)CCC2)cc1	1791298671	OKAHLWLIKNHRCF-QGZVFWFLSA-N	402.485	5.078	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccc(OC)cc1	8505169	KWAYIHAHKCAIMO-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
C=CCn1c(SCCOc2ccccc2C(C)=O)nnc1-c1ccc(Cl)cc1	10240135	SYGJJZMCIRNCHS-UHFFFAOYSA-N	413.930	5.158	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc2c(cc1Cl)OCCCO2	26985228	WFALHHVGHWWDST-UHFFFAOYSA-N	404.853	5.292	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nc2ccccc2o1	41540876	SUVNPKIRXXBBRL-OAHLLOKOSA-N	411.442	5.701	30	20	HKED	
N#Cc1ccc(NC(=O)CCN2CCC(c3nc4ccccc4s3)CC2)cc1Cl	45697131	MKPFIJISDHBGEW-UHFFFAOYSA-N	424.957	5.030	30	20	HKED	
C[C@H](OCCCNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1	46641676	IWMVHIGOOYLFSS-IBGZPJMESA-N	416.546	5.607	30	20	HKED	
N#C[C@H](C(=O)CS[C@@H]1CCCc2ccccc21)c1nc(-c2ccccc2)cs1	109144855	PFIIXUKDHVOYDT-DENIHFKCSA-N	404.560	5.797	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1sc(-c2ccc(F)cc2)nc1C	115190471	KZSHHSFCJSAVAM-UHFFFAOYSA-N	402.834	5.011	30	20	HKED	
COc1ccc(CNC(c2cccc(C)c2)c2cccc(C)c2)cc1OCCCC#N	237340369	JCPLVWNDBYAGCO-UHFFFAOYSA-N	414.549	5.874	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C)n(-c2ccccc2)n1	303026330	SHIAOFSMAIKLOG-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Oc3ccccc3F)nc2)c2ccccc21	428057299	WHBOJIKXLJEKTJ-UHFFFAOYSA-N	414.440	5.524	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428242936	GHLYGYRBASIKNW-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1	429075299	DPAIYXIWBLPHGV-ZEQRLZLVSA-N	411.505	5.521	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(c2ncccc2Cl)CC1	429254819	FZJQAJOXTDMIOD-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
N#C[C@H](C(=O)c1ccc(F)cc1OC(F)F)c1nc(-c2c(F)cccc2F)cs1	429724978	NZZTZVNAAZYJJH-LLVKDONJSA-N	424.350	5.319	30	20	HKED	
CCCOc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	429725385	OZWPAIXMZKGRSN-CQSZACIVSA-N	403.816	5.364	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1	431872065	YKLCHLBTJSDAFD-UZLBHIALSA-N	419.447	5.423	30	20	HKED	
COc1ccc(-c2ccn(-c3ccc(SCCCCC(C)(C)C#N)nn3)n2)cc1	436247614	VDHCXDNVWLAAJR-UHFFFAOYSA-N	407.543	5.150	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)CCc2ccc(C)o2)cc1	438188952	RYNWVKGSAJTYIY-MRXNPFEDSA-N	419.481	5.403	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1F	438658585	BRSNINDNEDKNNF-INIZCTEOSA-N	422.485	5.358	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438659977	IZLYSRFFKZCHJM-OAQYLSRUSA-N	418.472	5.890	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2)cs1	439669790	XFROLAGKJVANIV-OAQYLSRUSA-N	407.564	5.519	30	20	HKED	
N#CCC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1	439677049	ZVPNMLSBXLVMIO-MRXNPFEDSA-N	411.221	5.243	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c2ccccc21	444334589	BXTJRZZAAKNAHY-UHFFFAOYSA-N	421.913	5.369	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2sc(C)c(C)c2C#N)cs1	463072872	XDGHVOMFRAZFAK-UHFFFAOYSA-N	413.543	5.724	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)nnc1-c1ccco1	463249867	JDBUDMBOANKDKC-OAHLLOKOSA-N	424.309	5.037	30	20	HKED	
N#Cc1nnc2ccccc2c1N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	463746645	SCALIIQSHKHZLM-QGZVFWFLSA-N	401.470	5.254	30	20	HKED	
N#Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1F	464640067	XLZIYQMAVHKICX-UHFFFAOYSA-N	414.362	5.032	30	20	HKED	
C=CCc1cc(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc(OC)c1O	466450814	ACUNSJWJKJFLDO-IBGZPJMESA-N	420.578	5.148	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F	466592112	YHCGCZGOSUVNKL-UHFFFAOYSA-N	419.447	5.096	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCSCc2ccccc2)cc1	470828764	AHKTWMXXDRZTQM-UHFFFAOYSA-N	416.546	5.594	30	20	HKED	
CCSCc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1	471757074	JSHDVRZZAYUIOL-SFHVURJKSA-N	411.914	5.489	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	475261064	OAZQSVAULBTRLG-UHFFFAOYSA-N	403.482	5.079	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(O)cc1)Cc1ccco1	475562361	FXKHFAVWYVSJEK-UHFFFAOYSA-N	404.510	6.071	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2)[nH]1)c1nc(-c2c(F)cccc2F)cs1	477847180	QIBLMTXQBRYXCJ-AWEZNQCLSA-N	405.429	5.573	30	20	HKED	
CC(C)Cn1ncc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1C(F)F	478249996	HRIRSNZFTDNCIU-UHFFFAOYSA-N	410.468	5.539	30	20	HKED	
C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	480128408	ZSHLQZJYJVEJOJ-IIBYNOLFSA-N	404.901	5.615	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCc1ccccc1Br	481800570	ZWHKGZQDTSPZEN-HNNXBMFYSA-N	417.372	5.662	30	20	HKED	
Cc1nc(C2(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CCCCCC2)no1	482894621	FMFLYKVFIHBDTE-UHFFFAOYSA-N	416.481	5.022	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1	483021479	GWYMEBDJUNYSSZ-ZJSXRUAMSA-N	416.569	5.006	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	483346918	FJPJPDFDSBEOQB-OAHLLOKOSA-N	402.519	5.526	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccccc1Cl	485518248	IWINQAWUAGGNIB-OAHLLOKOSA-N	424.957	5.592	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)c2)cc1	489815413	JBFOBFKYKSEPQL-HYBUGGRVSA-N	413.477	5.250	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(CC#N)cc1	495497426	QKNHBFGGWUVALC-AWEZNQCLSA-N	411.914	5.321	30	20	HKED	
C=CCc1cc(C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC	498977219	YMMFQSPJIOHTSR-CQSZACIVSA-N	407.432	5.284	30	20	HKED	
Fc1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C(F)(F)F)c1	500540547	WWPYVDZPYRUAMV-UHFFFAOYSA-N	417.328	5.339	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(CCC(F)(F)F)cc3)n2)c1	501190569	ZMXUAMCJCNWOEK-UHFFFAOYSA-N	401.413	5.429	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	502368494	RXUWTCVFHJRPKA-QRQCRPRQSA-N	408.860	5.024	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)cc1Cl	503291216	ZTGCUJOBYMYEDZ-FPOVZHCZSA-N	417.896	5.121	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)cc2Br)nnc1-c1cccnc1	504578674	RPYKOZQDPIDZOG-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
N#C[C@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1cccc(C(F)(F)F)c1	505986972	MPBZWWUXVPCSJH-INIZCTEOSA-N	423.316	5.267	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCC(OC(F)F)CC1	506807875	WHLXTTCCYXWZTJ-UHFFFAOYSA-N	400.425	5.396	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cccc(C)c2)cc1	508272367	HDNFVRYOCJLLJZ-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
CCN(CC)[C@H](C(=O)Nc1sc(C)c(C)c1C#N)c1cccc(C(F)(F)F)c1	509797636	YCQYSXGQKWNQAN-KRWDZBQOSA-N	409.477	5.277	30	20	HKED	
CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1	511039390	CDRFARNVPYRSGD-UHFFFAOYSA-N	422.472	5.054	30	20	HKED	
Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4cccc(C#N)c4)cc3s2)s1	511331097	CETSDXIDAOQRLO-UHFFFAOYSA-N	418.503	5.043	30	20	HKED	
C[C@H](C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(F)c(F)c1	511705313	VFZRIPZOYLUJFP-VFZGTOFNSA-N	409.301	5.090	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1F	512649871	VGDKCOMZTSXJJR-SNVBAGLBSA-N	401.201	5.329	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1	515367301	YPSBVQZIIVZVLX-UHFFFAOYSA-N	411.436	5.292	30	20	HKED	
COc1c(Br)cc(Cl)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	515539633	LNBUJDZLZUBUQD-CYBMUJFWSA-N	407.695	5.137	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc(-c2ccccc2)cs1	515542981	KIIRIFLHEJCWPD-OAHLLOKOSA-N	423.291	5.809	30	20	HKED	
Cc1nc2ccccc2n1Cc1cc(NC(=O)c2sccc2C#N)ccc1Cl	517667889	LBSSNNPCKOFZFZ-UHFFFAOYSA-N	406.898	5.232	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)cc2)cc1	520326744	JNBSOZZQWYEZIQ-LOSJGSFVSA-N	412.489	5.195	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1	521106421	MUVXNQKXFDZAEW-IBGZPJMESA-N	419.550	5.123	30	20	HKED	
Cc1ccc2nc(COc3ccccc3C(=O)Nc3sc(C)c(C)c3C#N)cn2c1	521330879	HSDZGSYFQFPHIH-UHFFFAOYSA-N	416.506	5.024	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)cc1	521754058	YNMJSYKZIVAKQF-UHFFFAOYSA-N	420.534	5.691	30	20	HKED	
C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523621210	NAAINAQGUQVURC-BVZFJXPGSA-N	411.505	5.387	30	20	HKED	
Cc1csc(C2(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCC2)n1	523952849	ITHPVWREJKEXBP-UHFFFAOYSA-N	423.925	5.578	30	20	HKED	
C[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(Cl)c1	525631597	QTTFVTBQNABUTH-LBPRGKRZSA-N	414.943	5.098	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2ccc(OC)cc2)o1)c1ccc(C(F)(F)F)cc1	537128669	QEAAIQKOELRYQZ-IBGZPJMESA-N	417.431	5.561	30	20	HKED	
C[C@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1	537289403	VXAAWEYUVLQPIR-QMHKHESXSA-N	424.953	5.055	30	20	HKED	
C[C@H](NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(C#N)c(F)c1	537406635	FYOVQDNMDNVRQS-AWEZNQCLSA-N	415.390	5.754	30	20	HKED	
CC(C)C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C(F)(F)F)c1	538160378	VIRXGNDXQVADNH-IBGZPJMESA-N	414.431	5.504	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)n1Cc1ccncc1	546583937	BKSKFMWGFZQMKC-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CNc1cc(CC#N)ccn1	547340822	WUEIMONMTDUVDG-UHFFFAOYSA-N	413.456	5.185	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)n1	551497768	FNPLXCSWERRGNR-KRWDZBQOSA-N	419.525	5.105	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	552104774	SWGZIRRMUVVXAS-UHFFFAOYSA-N	413.481	5.195	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)C3CCCC3)cc2)cc1	553643596	VSUKDAKIUBQXCQ-UHFFFAOYSA-N	401.466	5.920	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21	554206882	RVGJWNCWTNVPAH-UGGKCQTMSA-N	405.567	5.738	30	20	HKED	
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	559859150	LQPHAWONRJZJHR-XLIONFOSSA-N	405.523	6.409	30	20	HKED	
COc1ccc(-c2nn(Cc3ccccc3)cc2CNCC(C)(C)CCC#N)cc1	570719492	SSPDJMPAGKTJHY-UHFFFAOYSA-N	402.542	5.027	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc(C#N)c(Br)c2)c1-c1ccccc1	571800350	VQYNCIZXLPJZGI-UHFFFAOYSA-N	409.287	5.017	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F	576625895	MTMKPBDSKLVNHS-WBVHZDCISA-N	421.488	5.481	30	20	HKED	
CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	576793470	QHNYRGQIVJRHFV-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
CN(Cc1ccco1)Cc1ccccc1CNCc1ccc(C#N)cc1C(F)(F)F	577445305	RCYGIJSFMOXYND-UHFFFAOYSA-N	413.443	5.092	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)c1cccc(C#N)c1	588150967	PVYYBMZTRCXSNT-OAHLLOKOSA-N	401.432	5.260	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3C3CC3)s2)c(C(F)(F)F)c1	588347900	VOVDZQYKCDVGIM-QGZVFWFLSA-N	420.460	5.031	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4ccc(F)cc4)CCC3)c2)c1	603995794	LCGWHNBEKOGYEY-UHFFFAOYSA-N	413.452	5.010	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1	604569054	DVHAQDKGEWRTLV-UHFFFAOYSA-N	422.481	5.370	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1	606570942	KIQTVRRXUYVZSV-REWPJTCUSA-N	407.558	5.158	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OC2CCCCC2)c1)c1nc2ccccc2n1C(F)F	606753136	HTGJWXWSKJHNRG-GOSISDBHSA-N	409.436	5.633	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3oc4ccccc4c3c2)c1	608801967	RGHMPENWIFXBLR-UHFFFAOYSA-N	408.413	5.882	30	20	HKED	
COc1ccccc1Cc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)o1	608929831	VRVKDPCPFATRFV-UHFFFAOYSA-N	413.502	5.500	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1F	609063244	SITRMTFBNSASGO-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CCC#N)CCC(C)C)c3c(C)noc3n2)c(C)s1	609175672	UAZYVZULOSSFHE-UHFFFAOYSA-N	410.543	5.279	30	20	HKED	
C[C@@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(C(F)(F)F)cc1	609185684	LSJYAOSIYWJRHT-INIZCTEOSA-N	416.443	5.141	30	20	HKED	
N#CCn1c(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc2ccccc21	609202465	KMBZDPYVZCRMGL-UHFFFAOYSA-N	424.432	5.142	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc2ccccc2c1	609388185	RPAJCHRXDFIXBD-QGZVFWFLSA-N	406.576	6.106	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N(C)C	609398255	NGFOYKAVUKFGKC-HNAYVOBHSA-N	416.978	5.016	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cc2ccccc21	609507515	RKMJWCRBVQAGEP-UHFFFAOYSA-N	410.408	5.364	30	20	HKED	
CCOc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C(C)C)cc1OCC	610357108	HRVDPZHOIMNMSR-GAJHUEQPSA-N	409.530	5.113	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	614929039	WLMDAUZLDWPGFW-MRXNPFEDSA-N	409.839	5.848	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccco1	643095680	OYLQPWLLMLEUDH-ZDUSSCGKSA-N	411.462	5.075	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)CCCC1(C)C	683531571	LMJFQDDDSOXXLT-SFHVURJKSA-N	423.479	5.653	30	20	HKED	
COc1cccc(NN=Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)c1	725853406	KYBWVQHXVQXELN-UHFFFAOYSA-N	408.811	5.308	30	20	HKED	
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S	726802105	SUZCFNCFUSOVCY-OZQOASMWSA-N	400.569	5.149	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2ccco2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S	726962178	SDHSVAXWVIFDOM-GFEQUFNTSA-N	413.591	5.110	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	727038530	KWGRACQWMLQIQQ-MRXNPFEDSA-N	405.504	5.254	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)NCc2sc(-c3ccccc3)nc2C)cc1OC	727345833	OOXDTNSHCLDNAP-ACCUITESSA-N	420.534	5.022	30	20	HKED	
CCc1cccc(C)c1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)cc1C	728062948	SEMSMYIFEWBSPZ-UHFFFAOYSA-N	413.521	5.367	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1	728265451	LPZOPEUQHITCRL-UHFFFAOYSA-N	403.482	5.016	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1	730990484	XNMJSJHJVKMZIT-MRXNPFEDSA-N	417.575	5.104	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(OC(F)F)c1	733083851	RWVSFWHPRAXKJH-BQYQJAHWSA-N	402.378	5.216	30	20	HKED	
C#CCN(C(=O)Nc1c(C)cccc1C)[C@H]1CCOc2ccc(Br)cc21	733614622	KAHKMLDZDYNZRK-SFHVURJKSA-N	413.315	5.057	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c1	733770450	ACXHZKWHCSOACS-ALFKQNEGSA-N	420.509	5.425	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C)C(=O)Nc1cccc(C)c1C	740327503	MHKLHRNBFBBOSA-OAHLLOKOSA-N	421.415	5.071	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c[nH]c3c(C)cccc23)cc1	744033693	VHTYRXSGGNEGNW-OPAMFIHVSA-N	401.510	5.270	30	20	HKED	
CC(C)c1nc(C#N)c(NN=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)o1	745624800	NSSGJYIGDZGNIB-UHFFFAOYSA-N	410.481	5.027	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2cccc(Br)c2)cs1	745989312	SZAKTLFCBNXIRQ-UHFFFAOYSA-N	415.316	5.036	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)cc1	747339638	YPFXDBDZJGEIPY-IBGZPJMESA-N	416.330	5.345	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC	749451034	GXXAHQYSHCKBHS-FPXKJXHESA-N	410.539	5.381	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Cc2ccccc2CC#N)c1	752920594	XRWZTUBHPAGJOR-BDYUSTAISA-N	410.517	5.061	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc2ccccc2c1	753394767	LPXBLICTDMKSSO-JLTOFOAXSA-N	424.472	5.606	30	20	HKED	
C=C(Br)CNC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	755130784	UIPAZSVKZIKYIP-SNVBAGLBSA-N	414.756	5.041	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1	758451264	DUEDNYVEMSUMMR-QGZVFWFLSA-N	405.589	5.036	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CC(=O)c3ccc(Cl)cc3)n2)cc1	760181698	AASPQPFBRSUTCJ-BEFAXECRSA-N	422.937	5.857	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(Cl)c1	766325747	NHJQUMYACSETGS-MRXNPFEDSA-N	411.914	5.202	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)cc1Br	768776033	GBDMNXLMMNVQOT-MRXNPFEDSA-N	409.283	5.061	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc2nccn12)C(=O)c1ccccc1	769607423	KKBXAUBKGNQDTO-NKFKGCMQSA-N	423.516	5.364	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	772452303	GPUCTAATXSLGCN-LJQANCHMSA-N	415.578	5.402	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(OC)c3ccccc23)ccc1OC	772977826	CIGXQLYNZYCIHD-MJGOQNOKSA-N	404.510	5.389	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3c(F)cc(Br)cc32)c1	772985949	VJUSYPMRNPAABP-QRWLVFNGSA-N	403.295	5.046	30	20	HKED	
C#CC[C@H](NCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)c1ccccc1	775399457	RQUVTOICKJZFBN-QHCPKHFHSA-N	417.578	5.607	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3cc(Cl)ccc32)ccc1OC	775411932	YKZHHBBPTIMQRH-MJGOQNOKSA-N	400.906	5.033	30	20	HKED	
CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	775486584	CWHIVPHJSJCLEM-DHIUTWEWSA-N	415.493	5.103	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2ccc3cnccc3c2)cc1)Nc1ccccc1	782307720	ZHJFGVRGYRCGGV-QPEQYQDCSA-N	408.457	5.148	30	20	HKED	
C[C@@H](OC(=O)c1ccsc1NC(=O)c1ccccc1Cl)c1ccc(C#N)cc1	783529242	DJMZXACNEYEMMX-CYBMUJFWSA-N	410.882	5.443	30	20	HKED	
C/C(=C\c1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787051318	HRNRJIYGTXAMQB-AYLJLJJLSA-N	419.283	5.122	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)on2)c1	789896053	HQASYKPZOCVAGK-QFIPXVFZSA-N	404.429	5.121	30	20	HKED	
CCCCCCCN(C(=O)C[C@@H]1COC(=O)C1)[C@@H](C)c1ccc(Br)cc1	797358188	LIPBQZDCYAQZQD-IRXDYDNUSA-N	424.379	5.262	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CC3CC(c4ccccc4)C3)n2)cc1	798819752	IUBOQJZSFNBKHQ-IOYBJCICSA-N	402.519	5.579	30	20	HKED	
Cc1ccc(S[C@@H](C(=O)OCCCC2(C#N)CCOCC2)c2ccccc2)c(C)c1	800163320	GIJAXIFLFJRXFQ-HSZRJFAPSA-N	423.578	5.781	30	20	HKED	
N#C[C@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccncc2)cs1	802053924	DJJANRRXKCODHJ-GDBMZVCRSA-N	405.376	5.111	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc2ccccc2o1	812394717	WTUPZYUYBHQHIK-UHFFFAOYSA-N	419.893	5.715	30	20	HKED	
C#Cc1ccccc1CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	812975808	JHUBJJDKMQEHGX-UHFFFAOYSA-N	418.415	5.215	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(-c4ccccc4)n3)cc2c1C	914773337	GDADNTMLUYTBSJ-CMDGGOBGSA-N	420.515	5.411	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1	915087623	VXSISPPNVGCRDO-JOCHJYFZSA-N	406.938	5.867	30	20	HKED	
COc1ccc2cc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc2c1	915353657	PXNKQBOCWFQWSD-SANMLTNESA-N	421.500	5.826	30	20	HKED	
CSc1ccc([C@@H](C/N=C\c2cccc(O)c2O)N2CCc3sccc3C2)cc1	915980187	YMTPSBGYIQWUIF-GEUHTFEZSA-N	424.591	5.100	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1	916627314	MNTIYWJPJQWMEW-OAHLLOKOSA-N	401.318	5.844	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	917045238	WZAJHNPAZDURIN-GOSISDBHSA-N	423.463	5.613	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)cc1	917517375	DKZCIXZGADUILA-FLIBITNWSA-N	419.481	5.158	30	20	HKED	
N#CCOc1ccccc1C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1	919991189	WANXFWQGYFDPSI-HSZRJFAPSA-N	402.519	5.049	30	20	HKED	
Cc1sc(NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	1473574206	WMTIEVPFEUTPHI-CQSZACIVSA-N	424.957	5.275	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1	4285557	NPKNGYBXBXIOEW-CQSZACIVSA-N	415.465	5.096	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)c1	10172649	AHSAEMYSJLGFRM-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2Cl)n1	21514554	HKJAEPUIFZQOBT-UHFFFAOYSA-N	420.243	5.318	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccs3)o2)nnc1-c1ccc(OC)cc1	41648179	RTUQRAGDNJTWOY-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1OC	46706664	MZKKGFZNVBKLKU-ZDUSSCGKSA-N	400.887	5.237	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	147307349	DKPLJIPHKUXTIS-OAHLLOKOSA-N	406.536	5.234	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(N(C)CCC#N)cc3)s2)cc1	237502378	NASBYSAUTBNRRL-GOSISDBHSA-N	404.583	5.628	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](C)c1cc2ccccc2o1	303030446	TZXFQOVAIQCVKU-QGZVFWFLSA-N	414.461	5.700	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1	303645516	SCBJEGKNTIATQJ-XMMPIXPASA-N	412.489	5.123	30	20	HKED	
N#CC1(CCCN2CCC(COc3cc(Cl)cc(Cl)c3)CC2)CCOCC1	410385069	VJXQSVBWRRUSOR-UHFFFAOYSA-N	411.373	5.185	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ncc(-c2ccccc2)o1	427118486	XYQQPNCRMFNNOQ-GOSISDBHSA-N	423.586	5.001	30	20	HKED	
C=CCN(CCC#N)Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1	428860449	HCASXVOQINKTGA-UHFFFAOYSA-N	409.342	5.036	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cnn([C@@H](C)C2CC2)c1	429374507	VWCVNYOJKSAJTF-INIZCTEOSA-N	401.470	5.471	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)sc2ccc(C#N)cc12	429812472	UABJLKWPBHDNCL-QGZVFWFLSA-N	406.507	5.282	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[C@H]1c1ccccc1	437510259	ZFYFIIUWJJLWCQ-VGOFRKELSA-N	416.550	5.263	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cnn1-c1cccc(C#N)c1	439674764	YFCIABRMKXRKET-QHCPKHFHSA-N	413.525	5.374	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4csc(C)n4)c3)n2)cc1	442672066	IBCCCNSWMFEITF-IBGZPJMESA-N	415.543	6.041	30	20	HKED	
C[C@@H](c1ccco1)N(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	444381833	JHCRLYWLTLFLRQ-HRAATJIYSA-N	419.912	6.346	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ncc(-c4ccccc4)cn3)c2)cc1	461984042	FUZSAUZVRNTXEI-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
C[C@H](c1cccc(C#N)c1)c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1	462837521	YKFIIENDHKUEHT-OAHLLOKOSA-N	412.424	5.151	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)[C@H](C)c1cccc(C#N)c1	464136982	CKURBHCZMFUWHC-QGZVFWFLSA-N	402.519	5.601	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](CSc4ccccc4)C3)c2)cc1	464326184	DRYFTEZHTBABNS-HXUWFJFHSA-N	414.530	5.605	30	20	HKED	
CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cn(CCCC#N)c3ccccc23)no1	469743553	DIVCXDGYIVTQQK-NRFANRHFSA-N	419.529	5.209	30	20	HKED	
N#CCCN(C(=O)CNc1ccccc1CCC(F)(F)F)c1cccc(Cl)c1	470543425	VZUZLQGEWVLZCJ-UHFFFAOYSA-N	409.839	5.194	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	472748374	IQBHASVVKISZAY-PZJWPPBQSA-N	422.598	5.209	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	475552806	SGPZZFWAUMQEOT-FYYLOGMGSA-N	410.533	6.062	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1	475896600	GBBVWSPDHVOEQH-UHFFFAOYSA-N	416.550	5.026	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1	480472728	QZUNZLIGZUEZGO-UHFFFAOYSA-N	417.962	5.166	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1	480812654	QKJKAEGCSYCMKZ-UHFFFAOYSA-N	423.488	5.012	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483219269	JVFLFMGQOXSECX-KRWDZBQOSA-N	412.518	5.211	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C	485261469	QCPYEBGYYJQGKG-HXUWFJFHSA-N	411.590	5.610	30	20	HKED	
Cc1cc(C)c2c(c1)CN(C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CC2	486518978	LSEWCLTZMRODAU-UHFFFAOYSA-N	424.504	5.018	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1	494735523	LPGZTLTYCHYOIA-UHFFFAOYSA-N	415.436	5.359	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(F)c1	498023105	GUKAEORUEBMSKE-UHFFFAOYSA-N	420.509	6.029	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)NC(=O)CC1CCCCC1	500769773	RUOZYOXKKBPIJL-SFHVURJKSA-N	419.525	5.073	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NCCCCC#N)cc12	505054449	LPDDSLILKAWHED-UHFFFAOYSA-N	421.353	5.185	30	20	HKED	
Cn1cc(Oc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cn1	509599240	IFMXXERQQDSKGY-UHFFFAOYSA-N	410.433	5.129	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	510246513	SFGZJIGVSQQVJG-SFHVURJKSA-N	423.567	5.221	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCc2ccccc2)CC1	517474086	MHIJSFFGOIDYTN-SFHVURJKSA-N	409.555	5.151	30	20	HKED	
C=CC1CCN(C(=O)c2cccnc2SCc2cccc(Br)c2)CC1	517658474	KVGJSSRUWZHFFS-UHFFFAOYSA-N	417.372	5.175	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(Oc4ccccc4)c3)CC2)c1	519182437	VADZRJNDFJYVEZ-UHFFFAOYSA-N	413.477	5.426	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)c(F)c3)n2)cc1	519318175	YAKMUISYEBRGHE-AWEZNQCLSA-N	415.287	5.510	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1NC(=O)C(C)(C)C	522083732	MYOBSFWGPBVCAI-UHFFFAOYSA-N	420.557	5.541	30	20	HKED	
COc1cc(C[S@@](=O)[C@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1	523009685	GKTUHBXDXUSDOR-LDLUVENISA-N	405.519	5.156	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C	524381026	LBVNYVMWQAFDPN-UHFFFAOYSA-N	417.465	5.030	30	20	HKED	
C=CCC[C@H](NC(=O)Cc1cc2ccccc2nc1O)c1ccc(C(F)(F)F)cc1	532738125	XBLGWBHGQVCBLA-IBGZPJMESA-N	414.427	5.325	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1	533356146	YMYNTDUTVPZZAW-HZPDHXFCSA-N	424.595	5.322	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(OC(F)(F)F)cc1	534333794	GVLRANHICKGXNB-INIZCTEOSA-N	416.321	5.075	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N	539754742	JHUQVVPELHINMV-CHWSQXEVSA-N	424.492	5.199	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)c(O)c2F)cc1Cl	541681630	JKZQWUWJXXCNGX-HNNXBMFYSA-N	416.786	5.371	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N1CCC(C)(C#N)CC1	542387553	YAEHRAQRVRSLJT-UHFFFAOYSA-N	408.502	5.568	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc(F)c(C#N)c1	556391638	CGCJFESNHBZDJS-UHFFFAOYSA-N	424.497	5.009	30	20	HKED	
Cc1cc(F)ccc1C1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1	557304515	OAERPNIWWUNFHM-UHFFFAOYSA-N	415.468	5.213	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2cccnc2)cs1	559457954	IDTQSXKKNLLEHB-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NCc2c(F)cc(C#N)cc2F)cc1Cl	559997353	SNAOAZVZOWOUFT-ZDUSSCGKSA-N	403.860	5.117	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)NCCc2nc3ccccc3o2)cc1Cl	560112700	VZZKIYLFMZCLHZ-UHFFFAOYSA-N	417.852	5.118	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)cc1	562087562	QQLZADPIBPQTTE-GOSISDBHSA-N	400.404	5.394	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)c2ccccc21	565858347	JJJZVQDPOKZSKU-UHFFFAOYSA-N	411.465	5.011	30	20	HKED	
CC[C@](C)(C#N)c1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1	580362266	JHRUPTMCFSIVAM-LJQANCHMSA-N	413.275	5.186	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CCCCCC#N	588154082	URZJQUWYDIWQLM-UHFFFAOYSA-N	417.431	5.679	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3Nc1ccc2c(c1)CCC(=O)N2CCCC#N	588957970	XENSHFAEJXLUNJ-QHCPKHFHSA-N	412.537	5.549	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1	589572188	JUEKHQZCTCDCRM-CVEARBPZSA-N	420.900	5.077	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1	596141651	LEFNVLXSDBXWJT-LJQANCHMSA-N	408.567	5.998	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1	603527721	XNQGFIUTPGNRJB-UHFFFAOYSA-N	403.551	5.278	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC=C(c2c[nH]c3ncccc23)CC1	603845238	PLXFPQCNIXVHDB-UHFFFAOYSA-N	403.848	5.069	30	20	HKED	
Cc1csc(N(C(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)n1	603946816	BYMJHKWPAQMHSD-UHFFFAOYSA-N	415.474	5.474	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C	608920347	SUBOUPFPAYZCRQ-LJQANCHMSA-N	403.448	5.506	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609104733	OUFODAWBBGOIIG-UHFFFAOYSA-N	418.468	5.245	30	20	HKED	
N#Cc1ccc(F)c(CSCc2coc(-c3ccc(Br)cc3)n2)c1	609237264	KFOQOIARTJRVTF-UHFFFAOYSA-N	403.276	5.548	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	609437102	PJBDTQBGISGMAV-NYHFZMIOSA-N	423.538	5.125	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@@H]2CCOc3ccccc32)cc1	609784519	YAWGTOTYJIYWMS-QFIPXVFZSA-N	414.480	5.183	30	20	HKED	
N#Cc1c(NC(=O)Cc2ccccc2OC(F)F)sc2c1-c1ccccc1CC2	609814786	DHYASLIVYXKBKL-UHFFFAOYSA-N	410.445	5.168	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1	610095263	MHWNAZWUYATMAS-JKSUJKDBSA-N	406.511	5.476	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2OCC2CC2)c1	610123604	WXNJLXFGQVXCTK-UHFFFAOYSA-N	416.452	5.317	30	20	HKED	
C[C@@H](NC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cccc(C#N)c1	610357761	SSTPTHQEWNIYKY-WAIKUNEKSA-N	405.448	5.181	30	20	HKED	
CC(C)OCc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)oc2ccccc12	613407337	RCULICJIEALVPB-HNNXBMFYSA-N	424.909	6.111	30	20	HKED	
N#CC(CCN1CCCC[C@H]1c1noc(C2CC2)n1)(c1ccccc1)c1ccccc1	618275963	XEPFUXPSWLEHCV-QHCPKHFHSA-N	412.537	5.374	30	20	HKED	
O=C(NCc1c(F)cccc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	621421786	IMTXNXTZYBDTMK-RKDXNWHRSA-N	420.756	5.188	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683151187	RXNYLCUHXFFMRV-UKKRHICBSA-N	416.328	5.316	30	20	HKED	
N#CCCCOc1cccc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c1	726743338	DFYVOGQDNRQVPF-IZZDOVSWSA-N	401.418	5.223	30	20	HKED	
O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccccc1I	727780624	QNUYJMJHYVFAFX-WAYWQWQTSA-N	423.300	5.372	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@H](c2ccccc2)c2cccnc2)cc1OC	728417548	GFWGYTQOJXBQFO-DKOVKCOZSA-N	401.462	5.001	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)n1	730395274	SRHXACJFFNGQNC-AUUYWEPGSA-N	417.317	5.755	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccccc3SCC#N)s2)cc1	730793204	PRSZWIHWFQHYAQ-OAHLLOKOSA-N	407.564	5.534	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	730921068	UYNQRGPBJZGQAQ-QYZOEREBSA-N	406.844	5.083	30	20	HKED	
COc1cc(/C=C\C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc(Cl)c1O	731565107	DZTMKIPXUYWEHL-SREVYHEPSA-N	403.265	5.098	30	20	HKED	
Cn1c(CC(=NOCc2cccc(OC(F)F)c2)c2ccccc2)nc2ccccc21	731664220	DDWWTFUOBXDTNL-UHFFFAOYSA-N	421.447	5.338	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCc1ccc(OCC#N)cc1	733434087	XNSAWQWEZNXUTE-UHFFFAOYSA-N	417.248	5.216	30	20	HKED	
CCc1nc(C)c(C(C)=NNc2ncnc3scc(-c4ccc(OC)cc4)c23)s1	735227657	XFAGEDFDSQSKDY-UHFFFAOYSA-N	423.567	5.530	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C(C)(C)c2ccc3ccccc3c2)ccc1OC	741927946	CTUHVOWLZGRHFI-QFIPXVFZSA-N	416.521	5.123	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1NC(=O)OC(C)(C)C	742576444	SHOBVXLZEYOJBD-UHFFFAOYSA-N	409.486	5.253	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)N(Cc1cccs1)Cc1cccs1	743196314	LBDSSEVYHDBEFF-UHFFFAOYSA-N	400.500	5.195	30	20	HKED	
N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	745947621	HHMJGILJSBEGQJ-QGZVFWFLSA-N	417.292	5.167	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)n1	747196798	BMLQZTIKHWQBKD-DGZBYEBGSA-N	407.377	5.177	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	748199109	PSOQXGSZJYWFNO-UHFFFAOYSA-N	424.460	5.063	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)cnn1-c1ccccn1	748440827	GXUVQZLEPSDZRY-KTKRTIGZSA-N	406.898	5.249	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(OC(C)C)cc2)nnc1-c1ccc(F)cc1	749101562	HKLUKZNSDDFMSC-UHFFFAOYSA-N	411.502	5.032	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21	758243622	SUDZRCBOJYMJDC-APWZRJJASA-N	407.539	5.506	30	20	HKED	
O=C(/C=C/c1cccnc1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	759181998	RHDQBHQNTPQBPL-VAWYXSNFSA-N	413.527	5.715	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccc(C(F)(F)F)cc2)nnc1-c1cccs1	764690705	SDUFGYGJLIFFHQ-AWEZNQCLSA-N	411.474	5.037	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1	767895411	OMHWXSVVENWTME-UYAOXDASSA-N	401.432	5.249	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1SC(F)(F)F)c1ccc(Cl)c(Cl)c1	768173780	FHDINYSEKSSRJR-ZDUSSCGKSA-N	405.228	5.600	30	20	HKED	
COc1ccc(CN(C(=S)Nc2ccccc2C#N)[C@H]2CCCC[C@H]2C)cc1OC	771542432	XTXCFHNORRWWSY-UTKZUKDTSA-N	423.582	5.353	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	772984273	PKEXWXPZJLFYSB-WMZOPIPTSA-N	421.522	5.855	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(OCc3ccccc3)c2)c1	772984807	QHBLVXBVKOOVEQ-GBXCKJPGSA-N	400.522	5.797	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)[C@H](CC)Cc2ccccc2Br)c1	774251639	AWZHYOQTHRJHIS-GOSISDBHSA-N	401.373	5.080	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NCc3ccc(OC)c(O[C@@H](C#N)CC)c3)oc12	776164891	KYOOGHDEBDTMJP-VQIMIIECSA-N	408.498	5.372	30	20	HKED	
CCN(C(=O)Cc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1)c1ccccc1	777630860	RDLRLSYJFVCISY-HXUWFJFHSA-N	413.521	5.358	30	20	HKED	
C[C@H](Nc1ccccc1O[C@H](C)C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	779713171	QHUGFUZRUAZNEL-NEPJUHHUSA-N	403.269	5.507	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1	781553015	HDVDDCQAMFYIIJ-FLIBITNWSA-N	412.898	5.230	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)c2c1C	781577765	APBUARXOBRAXJH-UHFFFAOYSA-N	417.412	5.236	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)ccc1OC	781906296	XBDDPFBPBKOKHB-HTAPYJJXSA-N	404.913	5.656	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(C3CC3)cnc2Cl)cc1Cl	793067986	QBWOFPDWTWSDLV-HXUWFJFHSA-N	422.315	6.174	30	20	HKED	
CCc1ccc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1	796798011	KXEQQXCDGVUGSO-FQEVSTJZSA-N	424.456	5.749	30	20	HKED	
COC(=O)Nc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1C	797881628	FRTXOHDIPWTVCU-UHFFFAOYSA-N	401.466	5.236	30	20	HKED	
FC(F)(F)c1ccc([C@H]2CCC(=NNc3nnc(-c4ccccn4)s3)C2)cc1	799486191	TXWVZIFRSRGOCO-ZDUSSCGKSA-N	403.433	5.355	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CCOCC1	800213664	WBPGJGUGWMSANY-UHFFFAOYSA-N	407.388	5.223	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](Nc2nc(Cl)c(C#N)s2)CCC3)cc1	804444838	IPWREQDVCBEDMT-ZDUSSCGKSA-N	402.932	5.290	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)cc1C#N	806363460	ABSQVTTXRAVNSO-KKSFZXQISA-N	406.486	5.132	30	20	HKED	
N#Cc1csc(/C=C\C(=O)c2ccc(-c3ccccc3Br)s2)n1	811687750	IZPCHWQGHXPQQY-YVMONPNESA-N	401.310	5.402	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccc(F)c(Br)c1	813058578	ZYIQDKDRHBCSSL-CZUORRHYSA-N	411.274	5.506	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1C(F)(F)F	813217007	AOQNOOKYYNZSRS-RISCZKNCSA-N	400.322	5.489	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1	915085570	CNYRGPIDBINTOZ-OAQYLSRUSA-N	410.502	5.042	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1	915353615	PKCMWAWVJJLNIQ-FQEVSTJZSA-N	407.420	5.265	30	20	HKED	
Cc1c([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2ccccc12	916678910	FGCOXCIMQTXKTN-WZONZLPQSA-N	409.489	6.279	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1	916680923	MTDHVEJNZREVEL-UIOOFZCWSA-N	409.533	6.491	30	20	HKED	
CSCc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12	916936212	DFGYYSWKKCRPDM-ZDUSSCGKSA-N	416.861	5.049	30	20	HKED	
Cc1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917045600	YNBAHNRORSGNPF-CQSZACIVSA-N	404.413	5.187	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917046270	IVCBXGQGCFPTKE-AWEZNQCLSA-N	406.854	5.004	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1sc2c(c1C#N)CCCCCC2	917783106	MDEBMMXHZAKECE-OAQYLSRUSA-N	419.550	5.181	30	20	HKED	
O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1ccc(-n2cccn2)cc1	918713776	VOMJKKALVQLKNM-IZZDOVSWSA-N	421.909	5.457	30	20	HKED	
N#C[C@@H](C(=O)CCc1nccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	920111790	ZIPYUZAZFBLSQE-LBPRGKRZSA-N	408.335	5.382	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1	1791582576	CZRHMTZKURZMKO-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
CC[C@@H](C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1)c1ccccc1	1792229461	CNLQFADAFWAMLX-JOCHJYFZSA-N	415.537	5.008	30	20	HKED	
CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)CCCCCC(C)(C)C)CC2)C1	1806065333	FJEGSKPPWCFITG-OAQYLSRUSA-N	424.695	5.169	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1	1823911118	VNPDQRIRRDWFGH-PGRDOPGGSA-N	416.993	5.094	30	20	HKED	
CCc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N	7656985	QEOOQCHQEMTOPL-UHFFFAOYSA-N	416.502	5.067	30	20	HKED	
Cc1nc(N/N=C2\C(O)=Nc3ccc(F)cc32)c2cc(-c3ccccc3)sc2n1	8285000	LDBRLXBSHMWNAO-UHFFFAOYSA-N	403.442	5.224	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccc(Cc2ccccc2)cc1	22798362	FRHBEABYCFFETQ-UHFFFAOYSA-O	421.611	5.039	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1	46534161	BIWJBBREVNMICW-OLZOCXBDSA-N	415.349	5.411	30	20	HKED	
COc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	63324991	ZSAJEUATNSGGBJ-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)ccc1Cl	106204237	KMVJEHSITKMJDT-UHFFFAOYSA-N	402.306	5.094	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(C(F)(F)F)cc1	195652855	PPWWFBOZVQSUMV-IUODEOHRSA-N	421.369	5.820	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1OC	213834935	VNSHQVGBMBVOND-KVNDZABWSA-N	408.523	5.103	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1)[C@H](C)C1CC1	303297192	BZAPNPZXEUGMHF-RBUKOAKNSA-N	407.583	5.178	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)n1	303354005	OHGVGVFTMNVUSC-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C=CC[C@H](CC)NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1	410121592	NZIJEXAOLRVHPR-SFHVURJKSA-N	415.331	5.094	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(C(F)(F)F)cc1	429353756	AVIBPPQNSBUVOQ-XJKSGUPXSA-N	424.467	5.454	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1	432961284	NVVDJVDAKLCUMS-NRFANRHFSA-N	420.900	6.084	30	20	HKED	
CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	434614711	JGRAXJCMSVJTKK-UZUQRXQVSA-N	413.562	5.345	30	20	HKED	
N#CCCn1cc(CNc2ccccc2OCCc2ccccc2)c(-c2ccncc2)n1	435133586	RZCQUDWOYFLZNL-UHFFFAOYSA-N	423.520	5.092	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1)c1ccccc1	435759684	IYGOPWNGYQCOPM-JOCHJYFZSA-N	415.541	5.068	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccccc1	437407044	CLHFJOVKZCJTCL-OPXMRZJTSA-N	422.569	5.319	30	20	HKED	
COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	437959672	VJHQFRKZKNDJQG-OAHLLOKOSA-N	415.921	5.116	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)c2ccccc2)c1	438036473	OBTBHOXGLNZFLC-DNQXCXABSA-N	409.489	5.221	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl	438057490	VAAQTPOOYGGEBF-MAUKXSAKSA-N	407.823	5.662	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1	439315249	LVZJPXJYOZRIKG-NRFANRHFSA-N	401.466	5.654	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccccc1SC)c1ccc(C(F)(F)F)cc1	442023432	CHKGJOXNAPIIKS-INIZCTEOSA-N	422.472	5.190	30	20	HKED	
Cc1cc(O)ccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	443607674	QXXBZXMGMYGLMZ-UHFFFAOYSA-N	407.857	5.449	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F	444438888	PCGIDAQGPHUUAC-AWEZNQCLSA-N	424.272	5.176	30	20	HKED	
CC(=O)c1ccc(CC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1	460341755	XEXHELNUMBNUJR-UHFFFAOYSA-N	402.881	5.190	30	20	HKED	
N#CCCCC(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl	464096855	SKOISSNMEAOKDC-UHFFFAOYSA-N	417.694	5.278	30	20	HKED	
Cc1nc(CN2CCC(Oc3ccc(C#N)cc3)CC2)oc1-c1ccc(Cl)cc1	468270464	NEUBYYZIOMUKPS-UHFFFAOYSA-N	407.901	5.219	30	20	HKED	
COc1cccc2cc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)oc12	469218631	MUYWJYYCMZHPKJ-MRXNPFEDSA-N	403.482	5.197	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N	469307308	WDEHPDFXWNZLCA-OAHLLOKOSA-N	424.957	5.275	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1	472361734	UHHFNYVABUGQCD-AWEZNQCLSA-N	407.606	5.660	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1cc(F)cc(NCC(F)(F)F)c1	473240200	WBNHZMXTIVAGBD-HNNXBMFYSA-N	408.317	5.475	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)COc1cccc(NC(=O)c2ccco2)c1	476175163	YWCZGDIBBWWAGK-UHFFFAOYSA-N	418.493	5.401	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1C#N	481685178	MCJCUCOPOMKIMC-UHFFFAOYSA-N	420.469	5.131	30	20	HKED	
C[C@@H](C1CC1)n1nccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	482448654	GVUZHGDYHWSJGE-KRWDZBQOSA-N	417.488	5.099	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@]2(C1)OCc1ccccc12	482469617	SQMASMMOXDMRLV-SANMLTNESA-N	410.473	5.012	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccc2ncsc2c1	486874490	NTMBQTIFTVEVEV-MRXNPFEDSA-N	412.518	5.395	30	20	HKED	
CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n[nH]1	486910887	GNKJLXHWVYSRSI-KGLIPLIRSA-N	422.464	5.004	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nnc(-c2cccc(Cl)c2)o1	488771441	VEZHJJHLKZAOJV-SECBINFHSA-N	410.808	5.529	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N(CCC#N)Cc1ccco1	494028059	PBPWHAZXBHKRHI-UHFFFAOYSA-N	405.502	5.019	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](c4cccc(Cl)c4)C3)cc2)nc1	496726727	YNMYCAVUMAQYCC-LJQANCHMSA-N	403.869	5.029	30	20	HKED	
CC(C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(F)cc1Cl	497929362	JAGMORYRYCNRKA-UHFFFAOYSA-N	423.875	5.246	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)cc1	498276699	PDHCDTNRAJZAJG-UHFFFAOYSA-N	416.477	5.155	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)c1nc(-c2ccccc2)cs1	500307058	ZXUZRGQVYAAHCO-UHFFFAOYSA-N	417.559	6.075	30	20	HKED	
COCc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)sc2cccc(F)c12	500307132	RVOKUKFZCXSIPC-UHFFFAOYSA-N	410.514	5.357	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1	500320308	FLOWMTRNFZNFCE-UHFFFAOYSA-N	421.928	5.484	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc2n[nH]cc12	501366810	PAYPJTTZJNVIHW-UHFFFAOYSA-N	413.456	5.116	30	20	HKED	
C=CCOc1ccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1OC	503261479	BYFPZASJYDKBBG-JOCHJYFZSA-N	408.929	5.382	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(OC)c(OC2CCCC2)c1	503776206	JPGOOQOJRVQODM-UHFFFAOYSA-N	412.505	5.054	30	20	HKED	
CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1Sc1ccccc1C#N	506996974	MDNLIMZJBQMXCD-NRFANRHFSA-N	414.530	5.525	30	20	HKED	
Cc1ccc(-n2nnc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2C)cc1	510272849	SIYLQRQKXZQDIE-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
CCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccc(C#N)cc1	510415607	UKSUFLUFQZKFMN-UHFFFAOYSA-N	416.264	5.099	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	513214317	GPRNCANCBPMCHF-ZFWWWQNUSA-N	424.957	5.321	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	514629520	CZFPXOTYIABLNQ-IBGZPJMESA-N	409.338	5.551	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)c1	517079736	JLBDPEYFDDIZJO-RBUKOAKNSA-N	415.320	5.039	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	517137834	ITFPJHKKPRCZFA-OAQYLSRUSA-N	421.541	5.724	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3coc(C4CCCCC4)n3)n2)cc1	517248675	XUKQPWXAKPKYPA-QGZVFWFLSA-N	407.495	5.344	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCCC(C)C	517517877	LGUUACSIXWXUHM-QGZVFWFLSA-N	412.555	5.767	30	20	HKED	
C[C@@H]1CCCN(c2ccccc2OCC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	518338688	ONBGSKFEFGOKGB-RTBURBONSA-N	423.582	5.335	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(-c3ccccc3F)o2)CC1	518392968	ZLDIDMWOIGVBSI-UHFFFAOYSA-N	404.441	5.077	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@@H](C)c1ccc2ccccc2c1	518666757	ITPQXXUQUMCROM-QYZOEREBSA-N	417.578	5.769	30	20	HKED	
CCC(CC)c1nnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	518809934	XIFSGISKBUGERC-UHFFFAOYSA-N	422.579	5.858	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	519198896	BXNBFYUKGWEKSV-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
CCCC(CCC)SCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2	520165707	ANNBEJMLSKKFMB-KRWDZBQOSA-N	417.619	5.058	30	20	HKED	
Cc1ccccc1CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CC1	524071321	SNVNGRWGKZTKBT-UHFFFAOYSA-N	402.523	5.111	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1	524114374	VAHQBBBACLGUDC-KRWDZBQOSA-N	404.466	5.008	30	20	HKED	
Cc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1[C@@H]1CCC[C@@H](C)C1	533887092	ADAWHKHYLNPXTM-SJLPKXTDSA-N	421.570	5.181	30	20	HKED	
Cn1cc(-c2ccccc2CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cn1	536240447	TZMWKITYRAWRQW-UHFFFAOYSA-N	423.476	5.073	30	20	HKED	
CCCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cccc(F)c1	541281278	PHNHDXHIJNPXQJ-MRXNPFEDSA-N	422.529	5.468	30	20	HKED	
N#CCCn1ccc(NC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)n1	542551706	UWMWKMXDCQUVLP-UHFFFAOYSA-N	417.321	5.507	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(Cc2ccccc2)CCCC1	543557869	QOFORSOSUURWDX-LJQANCHMSA-N	407.583	5.164	30	20	HKED	
C=C1CCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2CCCOCC)CC1	549363310	WRDJRGHOAVPPJZ-FQEVSTJZSA-N	420.557	5.154	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCCCCc3ccc(Cl)s3)cc2)nc1	551671767	QGTFMNPDGIEUOO-UHFFFAOYSA-N	411.914	5.213	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1	553414331	SGKYUHCZVLGKNZ-UHFFFAOYSA-N	410.539	5.237	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1	557554106	PSNFYQCMOKRYBB-DLBZAZTESA-N	407.539	5.459	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1	560578411	JGHARCKEEONDAQ-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
C[C@@]12CC3CC(C(=O)N4CCC(Oc5ccc(C#N)cc5F)CC4)(C1)C[C@](C)(C3)C2	561309038	QEWKJRRZKMBVLY-VJMWJIOOSA-N	410.533	5.064	30	20	HKED	
N#C[C@@H](C(=O)c1cncnc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	568336071	LRMSYFSUJOVTOG-AWEZNQCLSA-N	418.428	5.035	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1	569088689	NQCUROSFRMUJAK-INIZCTEOSA-N	420.557	5.449	30	20	HKED	
N#CCC[C@@H](C#N)CNc1ccc(Oc2ccccc2Br)c(Cl)c1	579819985	IUWSWOPYBRMVHL-ZDUSSCGKSA-N	404.695	5.750	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1	580236789	MPVOBVPSWDPGCJ-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(OC)c1	600848538	ULOIBGIUQDHPLL-QFIPXVFZSA-N	422.868	5.339	30	20	HKED	
CCOC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	603465506	BOFQBRRPVOVWQM-UHFFFAOYSA-N	416.502	5.280	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCc2cccnc2)cc1)c1nc2cc(Cl)ccc2s1	603627407	HMUPXQVYIHWZKW-SFHVURJKSA-N	419.893	5.414	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)c1	603903167	VMNCGIHGOSJYDH-KRWDZBQOSA-N	404.466	5.008	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	603995133	WGZFCWUBOLPWDH-QGZVFWFLSA-N	415.518	5.071	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	604128969	FIROCNKAZAGRAO-JOCHJYFZSA-N	407.876	5.282	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604433983	PMAVMFPUSBGGBR-CQSZACIVSA-N	408.408	5.249	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCc2ccccc21	608915754	UHDWGDVACHXIDC-UHFFFAOYSA-N	410.521	5.695	30	20	HKED	
CCN(CCc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609078552	YOEZHJUBVXTGCU-UHFFFAOYSA-N	419.550	5.604	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)CNc3ccccc3S[C@H](C)CC#N)c2)cs1	609431759	LOZIILLEZPADHW-OAHLLOKOSA-N	422.579	5.563	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCO[C@H](c4ccccc4)C3)cc2)cc1	609506288	YBBFLMAYSRHBDL-VWLOTQADSA-N	412.489	5.149	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)nn1	609874493	DROVBNKJWQRSDG-UHFFFAOYSA-N	421.460	5.445	30	20	HKED	
Cc1nc([C@H]2CCCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1	609975759	SBFYCROONGNLDG-LJQANCHMSA-N	422.872	5.063	30	20	HKED	
C=C[C@H](CC(=O)N1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1)c1ccccc1	611146140	DSJNTFOIUSPOKM-BWKNWUBXSA-N	419.565	5.322	30	20	HKED	
CC(C)(C#N)c1ccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1	614175604	YHFRJOMRLFSYPI-UHFFFAOYSA-N	413.924	5.131	30	20	HKED	
O=C(Nc1cccc(OC(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618540579	UKZYCQZSWDDQGQ-RKDXNWHRSA-N	424.263	5.180	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccc(F)cc2s1)c1nc(-c2c(F)cccc2F)cs1	620304400	XPQIUMLRSGTCJO-LBPRGKRZSA-N	414.433	5.932	30	20	HKED	
C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccccc1Br	642708494	WLFQMRWYFOHQIQ-IBGZPJMESA-N	424.346	5.020	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674444428	YKLPCUSLQIYERE-ICCXJUOJSA-N	421.303	5.083	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(n1)CCCC2)c1nc2cc(C(F)(F)F)ccc2s1	676772002	UGAUCSBBCHARTA-CYBMUJFWSA-N	401.413	5.079	30	20	HKED	
Cc1nc2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)ccc2n1-c1ccccc1	679536537	NFJNPLZEYRWDNM-NRFANRHFSA-N	402.457	5.372	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CC(=O)NC2CCCC2)CC1	682777822	SMAAQARPBGOXGZ-UHFFFAOYSA-N	411.590	5.231	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2cc(Br)ccc2F)C(C)C)c1	726484543	ONNOFJBTYCIDIZ-UHFFFAOYSA-N	405.336	5.177	30	20	HKED	
COc1c(C)cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1C	726627196	OTBRCQWEYILJTG-CAOOACKPSA-N	414.939	5.243	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(SCc2ccc(C(C)C)cc2)sc1=S	726962356	WGAOTSUCCZDYGH-OAHLLOKOSA-N	406.646	5.529	30	20	HKED	
COc1cc(/C=C2/CCc3nc(-c4ccc(C)cc4)sc3C2=O)ccc1OCC#N	727654999	RAWMRWZKORKKMV-AQTBWJFISA-N	416.502	5.242	30	20	HKED	
C#CC[C@H](OC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccccn1	727775644	MYDGCDRHWBTGLL-DEOSSOPVSA-N	412.464	5.609	30	20	HKED	
CCOc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	727980872	SUQFPPLIIFGGKT-UHFFFAOYSA-N	403.507	5.345	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCOc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	728411090	DJYIITCJWUFXTN-KBPBESRZSA-N	402.397	5.058	30	20	HKED	
CC(=O)Nc1cccc(N=c2scc(-c3cc(C)[nH]c3C)n2CCCCC#N)c1	728775996	GMOOZZAZEOKUQY-UHFFFAOYSA-N	407.543	5.046	30	20	HKED	
C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccccc1-c1ccccc1	729769919	YAZWNPRLHAWDRE-SFHVURJKSA-N	423.472	5.016	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)N(CCC#N)CC(C)(C)C)cccc2c1=O	731840005	YJBUODGYZKWNEK-UHFFFAOYSA-N	402.494	5.170	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)C(C)(C)C	731948107	VDUDQSRHMNAHLK-UHFFFAOYSA-N	400.935	5.314	30	20	HKED	
CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1ccccn1	733109823	OJCVQQWUKJTQAY-ZHSJKAEUSA-N	401.897	5.258	30	20	HKED	
COCCOc1ccc(C(=O)/C=C\c2ccc(-c3c(F)cccc3F)o2)cc1OC	734367328	IJVCWDVGWGTCGJ-CLFYSBASSA-N	414.404	5.155	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	739589467	AFRCOGLXKHMHCC-OAHLLOKOSA-N	408.548	5.092	30	20	HKED	
C=C(Br)CNC(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C	740040135	XHAKPTJLWFAFOX-CQSZACIVSA-N	408.365	5.038	30	20	HKED	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C\C(=O)c1cccc(-c2ccncc2)c1	741469058	JOVOGOYDWCWRQV-QXMHVHEDSA-N	423.472	5.007	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	743471948	GPZBXKOPJPGBFD-FQEVSTJZSA-N	424.504	5.406	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cs1	744027641	AMYBTDSFKZWTJB-FQEVSTJZSA-N	411.486	5.233	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)s1	744353520	WAEVUVJLGYJHIF-GFCCVEGCSA-N	409.964	5.079	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NOCc2ccc(C(F)(F)F)cc2)cs1	746576362	IZKYIUXMKSHHMN-UHFFFAOYSA-N	419.428	5.397	30	20	HKED	
C[C@H](CC#N)NC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1	751392905	KVRHGEMBMHOZRD-IPEVAPCJSA-N	402.519	5.286	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	753272372	FBKCTQDGDWUELY-UHFFFAOYSA-N	422.872	5.202	30	20	HKED	
O=C(/C=C/c1ccc(/C=C/C(=O)c2c[nH]c3ncccc23)cc1)c1c[nH]c2ncccc12	761812361	KQGQJQVTWQTIGP-WGDLNXRISA-N	418.456	5.231	30	20	HKED	
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	765986177	CUENDBNOGURIAC-QMHKHESXSA-N	419.456	5.123	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@]3(C#N)CCc4ccccc4C3)cs2)cc1	770119254	WWVDRJUUGMSOKE-RUZDIDTESA-N	415.562	5.043	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)Nc3nc4c(cc3C#N)CCCC4)cs2)cc1	776349089	AKYHGWFVGKBBPY-UHFFFAOYSA-N	416.550	5.260	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)cc2)CC1	776734159	HJWNMCPCJNWCDI-UHFFFAOYSA-N	401.463	5.418	30	20	HKED	
COc1cc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)c(SC)cc1OC	777469382	DCIQVQIWIZZDCN-WDZFZDKYSA-N	409.429	5.052	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	779740121	FBIVRDBXNWBAOP-IFXJQAMLSA-N	418.324	5.060	30	20	HKED	
C#CCCCCCC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1	779937328	SOAHFESYNHWFBD-AWEZNQCLSA-N	405.361	5.334	30	20	HKED	
C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1NC(=O)c1ccccc1	781461635	BIOBWTPMNPGMDO-GOSISDBHSA-N	410.473	5.147	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2	782743576	HOMBXMKFCHVTQD-OYHNWAKOSA-N	416.550	5.428	30	20	HKED	
CC[C@H](CN(C)C(=O)Nc1cccc(OCC#N)c1)Oc1ccc(Cl)c(Cl)c1	787403346	SDGMMWDTRSYEIM-OAHLLOKOSA-N	422.312	5.217	30	20	HKED	
N#C[C@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1	787828281	KXJADGSYDRQTGY-KRWDZBQOSA-N	422.312	5.382	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)[C@H](O)c1c(F)cccc1F	789454818	FYEFUIKLEPJFIW-KNQAVFIVSA-N	402.485	5.450	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(CC[C@H](O)c4ccccc4)cc3)on2)c1	789977362	HQNONFLVNJNVDX-DEOSSOPVSA-N	423.472	5.132	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)cc1	796904657	MTTQOOFKHULLMP-XLIONFOSSA-N	408.498	5.265	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1	809887878	ONCICWVCBUVADM-INIZCTEOSA-N	422.945	5.131	30	20	HKED	
O=C(/C=C/c1cn2ccc(Br)cc2n1)c1ccc(-c2ccncc2)cc1	811691111	JOOGEOMJKDXNQB-AATRIKPKSA-N	404.267	5.055	30	20	HKED	
N#C[C@H](C(=O)CCCn1ccc2cc(Cl)ccc21)c1cc(C(F)(F)F)ccn1	813214006	SAALFYIGMXWCQM-INIZCTEOSA-N	405.807	5.365	30	20	HKED	
CO[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	815911490	CWYCKACXTHTVDT-KYOSRNDESA-N	409.338	5.498	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1	915086935	YPMYOELCUKFEPQ-DQEYMECFSA-N	412.489	5.152	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3cc(C)ccc3C)n2)cc1	920144042	WSHNJVOYPZIMGB-FQEVSTJZSA-N	418.518	5.275	30	20	HKED	
CC(C)(C)c1ncc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	920323661	IPEBGIDGXYCYTJ-INIZCTEOSA-N	419.506	5.194	30	20	HKED	
CC(C)n1c(O)nc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc21	1290874500	NNYZNYULFYABDP-OAQYLSRUSA-N	410.477	5.231	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C1	1804858932	YSKGZGUTSHIEGN-UHFFFAOYSA-N	421.585	5.005	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1829066041	MJGKCAVQFNERDQ-QHCPKHFHSA-N	416.650	5.569	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCC2)CC1	1829068250	MPBIBXYIVLLVBA-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(CC)cc2)cc1	11083327	PYDDPLOSLWDPBZ-UHFFFAOYSA-O	421.561	5.597	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)c(C)c2)c1	22695422	JTKIIQUGGCIBMI-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccccc1	29808969	NMOFQDLUCFVUAX-UHFFFAOYSA-N	423.567	5.406	30	20	HKED	
COc1ccc(CNC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OCCCC#N	64614331	VWMXIDHUOINJIC-UHFFFAOYSA-N	422.475	5.535	30	20	HKED	
CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc21	78665355	SRWWSISZKGSEPK-HNNXBMFYSA-N	410.568	5.181	30	20	HKED	
Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)o1	210408596	RIBVQHYIHSBNNW-DAXSKMNVSA-N	402.200	5.415	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1	248244040	KRGQOPISOSLFSK-JOCHJYFZSA-N	423.582	5.123	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n(CC(C)C)c1C	303316094	SENIDOCOCBODNN-OAHLLOKOSA-N	416.616	5.139	30	20	HKED	
Cc1cc(NCC(=O)N(CCC#N)c2cccc(Cl)c2)ccc1-c1ccncc1	427422092	TVPWIELJEYQGSA-UHFFFAOYSA-N	404.901	5.069	30	20	HKED	
CCc1noc(-c2ccc(C)c(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)n1	430439446	NYLKGHDVSUHPFF-UHFFFAOYSA-N	424.460	5.524	30	20	HKED	
O=C(NCCOCC(F)(F)C(F)F)c1ccccc1-c1ccc(C(F)(F)F)cc1	434326067	LKNXXXRFTMQIFK-UHFFFAOYSA-N	423.328	5.019	30	20	HKED	
COc1ccc(C#N)cc1CS[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1	434933320	LDSKAWYEZBLYGK-GFCCVEGCSA-N	423.519	5.532	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	437505386	FLCKRJUGCFQHKX-QFIPXVFZSA-N	416.550	5.673	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1	437759722	OQRDHKAWKWIRTE-OAHLLOKOSA-N	410.499	5.186	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	438209165	SBGBKHZMAPJFMV-WBVHZDCISA-N	414.387	5.150	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)cc1F	438646046	FHWZJNLKGLAHGQ-OAQYLSRUSA-N	401.441	5.859	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	460251884	PBDUQJRYZCPEFD-QGZVFWFLSA-N	409.505	5.651	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cs1	463747056	SEMSBECNXQNWJP-QGZVFWFLSA-N	402.306	5.420	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc4cnccc34)cc2Cl)c1	465128758	KXNWCPZSBPUVFP-UHFFFAOYSA-N	413.864	5.591	30	20	HKED	
C=CCn1c(SCc2nc3ccc(F)cc3o2)nnc1-c1ccc(Cl)cc1	466716656	AEYGOAJOOFUHHL-UHFFFAOYSA-N	400.866	5.357	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1	471316754	YZBPQBOTHFCFMS-UHFFFAOYSA-N	409.301	5.903	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1	476373100	IBDVNTVAZOGMPR-HXUWFJFHSA-N	416.546	6.014	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2ccccc2)nnc1-c1cnccn1	481380610	YARUJSRFYOMFPM-UHFFFAOYSA-N	401.495	5.006	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)on1	482007478	OQRLTONHMFWEAY-XMMPIXPASA-N	423.516	5.932	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(F)cc1F	482507527	MMTLFNVJTSPJFB-UHFFFAOYSA-N	400.372	5.550	30	20	HKED	
C=CCNC(=O)c1ccc(N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc1	486923509	AJMLVFHBHPXDOQ-FQEVSTJZSA-N	416.525	5.117	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1NC(=O)c1ccco1	487598257	XHFJQYGGDGVPAC-FQEVSTJZSA-N	401.466	5.005	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1C	488927101	CJDLSWJXOLPQBR-KRWDZBQOSA-N	417.538	5.651	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)CCCC(F)(F)F)cc1	494767155	HEHDDSPHBQUFNF-CQSZACIVSA-N	421.419	5.602	30	20	HKED	
Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1	495003244	AOPCBTMKGMRQNE-UHFFFAOYSA-N	414.490	5.671	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1ccc(F)c(F)c1	500748130	UAUZJFVGFLCYMD-UHFFFAOYSA-N	410.445	5.668	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)n1	501579036	PKDXQGJUNOVRFI-JTQLQIEISA-N	424.835	5.837	30	20	HKED	
COc1ccc(CNc2cnc(N3CCCC[C@@H]3C)c(C)c2)cc1OCCCC#N	502883193	MWFFDFPVAYUPEY-IBGZPJMESA-N	408.546	5.072	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1	503817506	QRSJEGRTSYQGBY-UHFFFAOYSA-N	416.521	5.172	30	20	HKED	
CCOc1ccc(Nc2ncccc2C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1	503868713	CPIAFSUDCKMPDQ-UHFFFAOYSA-N	424.504	5.025	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1ccc(OCc2ccccc2)cc1	505338107	NGMDTDKZDNTMCP-QGZVFWFLSA-N	417.317	5.629	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Oc3ccncc3)s2)cc1	509133063	VGDMEVDWEMVANA-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
COc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1OC(F)F	511072862	FXHSOIOHPZGQLT-UHFFFAOYSA-N	406.454	5.141	30	20	HKED	
N#Cc1ccc(-c2nnc(CN(Cc3ccccc3C(F)(F)F)CC3CC3)o2)cc1	511096791	QWXGXDQXPSCXDZ-UHFFFAOYSA-N	412.415	5.039	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	511338538	GLXPXQYMWDYTJN-NRFANRHFSA-N	413.521	5.647	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(COc2ccccc2C#N)o1	513452946	XKSMWFBBPFVBEK-UHFFFAOYSA-N	408.885	5.434	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2F)cc1	514064914	JQKKWIBBCDUGHQ-UHFFFAOYSA-N	416.387	5.271	30	20	HKED	
C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1	515389394	DQJSCIGGLSGZQG-UHFFFAOYSA-N	412.541	5.090	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1	515449258	MYWXTZRFEVNVPV-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1	518662034	SPMXECUJAIIBBX-GOSISDBHSA-N	417.534	5.781	30	20	HKED	
C=CCn1c(=O)c2ccccc2n2c(S[C@H](CC)c3ccc(Cl)cc3)nnc12	519068116	BUKAAUVEDJJVEM-GOSISDBHSA-N	410.930	5.127	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1	519282069	YPUWNTJJFWEGNL-SFHVURJKSA-N	411.521	5.019	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1csc(-c2ccccc2)n1	520186594	QMAARASMFDBRIH-CQSZACIVSA-N	415.565	5.005	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccc(F)cc1	520472343	MIXFDMVZOCUNDM-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl	520475584	IHNJELCTCWBFDC-ZDUSSCGKSA-N	408.304	5.685	30	20	HKED	
CNC(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	522592110	MESNBWBIKYFUDE-UHFFFAOYSA-N	420.856	5.008	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1	531157283	HTJLQXKJRNMVRC-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ncccc2OC(F)F)cc1Cl	534206032	DGRAMRXEDDOJBI-UHFFFAOYSA-N	415.783	5.253	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1c(Cl)cccc1Cl	536792484	SSTJHPDXVGHANT-UHFFFAOYSA-N	401.249	5.314	30	20	HKED	
C=CCC[C@@H](CCC)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1	540188125	PYXXJSQLENAUIX-GCJKJVERSA-N	407.526	5.182	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	543594179	FZIGERKSWRVJNM-MOXGXCLJSA-N	413.518	5.119	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1cccc(F)c1	543889449	XSVVTUPLXSWXJZ-LHSJRXKWSA-N	423.879	5.151	30	20	HKED	
Cc1nn(CC(F)F)c(C)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	545490848	UCWPJWCTPZTXKW-CQSZACIVSA-N	420.872	5.032	30	20	HKED	
CC(=O)N(c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1)c1cccc(C)c1C	549161340	CMLDJRBCOVCKRM-QGZVFWFLSA-N	404.539	5.167	30	20	HKED	
CC(C)(C)n1cc(C(=O)N2CCc3ccc(C#N)cc32)c(-c2ccccc2Cl)n1	550522424	CFLYXSVVWKLLKG-UHFFFAOYSA-N	404.901	5.033	30	20	HKED	
Cc1c(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)sc2ccc(C#N)cc12	551288888	BDLIANOHLMOXHN-UXHICEINSA-N	406.507	5.016	30	20	HKED	
CC1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN(c2ccc(Cl)cc2C#N)CC1	553139781	BWLJELOISYUGNI-UHFFFAOYSA-N	420.944	5.258	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nccn1-c1ccccc1	554211176	IBDTZUMIRDRSRK-SJORKVTESA-N	405.527	5.149	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21	554445707	VRHRYOBKENXXAK-UGGKCQTMSA-N	405.567	5.881	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	558176728	QHNZGFRNSMFDIO-CABCVRRESA-N	400.931	5.582	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C	561331976	FJZGMIQSDSFJTO-UHFFFAOYSA-N	409.580	6.131	30	20	HKED	
C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)C1	570475807	XGHQUEPLJMQMHH-UQBPGWFLSA-N	403.526	5.376	30	20	HKED	
CC(C)c1scnc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	573642129	LJNCKAOEXJGSRL-UHFFFAOYSA-N	408.502	5.512	30	20	HKED	
Cc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1OCC1CCOCC1	575097632	GDYBZKFCFFDEAO-UHFFFAOYSA-N	404.432	5.303	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nc3c(Cl)cccc3n2CC(F)(F)F)cc1Cl	577647349	QRUPQTFXSGVDQD-UHFFFAOYSA-N	413.186	5.029	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(CC(C)C)c1C1CC1	577910823	QLHIGSQKPHFDOV-UHFFFAOYSA-N	407.436	5.252	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCOc1ccc(Cl)cc1Cl	584160427	KBLNCLUOBFGMCV-UHFFFAOYSA-N	407.684	5.221	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccnc(Oc2ccccc2)c1)c1ccccc1	590065342	GLYIVGKRBYQCFQ-QFIPXVFZSA-N	400.482	5.108	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSCc1c(C)noc1C	603533036	NEKMJNLBPNRONW-UHFFFAOYSA-N	423.513	5.077	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4c4cccnc34)n2)cc1	603727364	OBPFRRGLMNNIPL-UHFFFAOYSA-N	406.470	5.635	30	20	HKED	
C=CCCCCCN(C)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	606816912	YBLLCKKBGRQEII-UHFFFAOYSA-N	404.963	5.781	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609078848	QXLPRPPWMLLECX-UHFFFAOYSA-N	417.534	5.727	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)CCc1ccco1	609078999	VWJFFTPRBSEUBT-SFHVURJKSA-N	403.482	5.182	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)c2cc3ccccc3n2CC#N)c2ccccc2)cc1	609163919	VAHSHBYLLHLMAO-VWLOTQADSA-N	409.489	5.083	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3csc(-c4ccccc4Cl)n3)CC2)c1	609185701	HCOAYDVPECOGLP-UHFFFAOYSA-N	423.925	5.019	30	20	HKED	
Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	609207368	TWZBNFHRDDDZLW-RUZDIDTESA-N	411.505	5.449	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4ccccc4F)C3)c2)cc1	609208942	RDIFBBWDMXYRBS-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CC1	609377188	RUXPPWFVECOSPU-CQSZACIVSA-N	415.356	5.371	30	20	HKED	
COc1ccc(Br)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	609427634	VPLHZZMDAMVXRW-LBPRGKRZSA-N	405.317	5.104	30	20	HKED	
CC[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1F	610010248	DHXAWCQOZCYRIG-IBGZPJMESA-N	412.465	5.157	30	20	HKED	
Cc1ccc(C2=NN(C(=O)CSc3ccc(C#N)cc3F)[C@@H](c3ccco3)C2)cc1	610165801	UQUPRYXDHBDHQB-HXUWFJFHSA-N	419.481	5.069	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C[C@H]4CCOC4)C3)cc2)c1	611357884	AQQZGWOZTURBGR-WOJBJXKFSA-N	405.498	5.021	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2c1	613319574	HSVMWRCGVLIILM-LJQANCHMSA-N	417.921	6.119	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1CC(F)(F)F	613407609	ZMSKGMSNZWYVOE-CYBMUJFWSA-N	411.836	5.420	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccccc2F)CCCC1	618295173	GDXTTZUTCUBRAG-BETUJISGSA-N	411.361	5.227	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2ccccc2s1	642280964	QRXCLMZLGHFDFW-SFHVURJKSA-N	421.485	5.034	30	20	HKED	
O=C(Nc1ccc(-c2ccco2)cc1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	683811767	NLXSQMCYEBYYRT-GHMZBOCLSA-N	410.289	5.290	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(-n3cnc4ccccc43)cc2)cc1Cl	726442423	BVHNVFHSFWPLHI-UHFFFAOYSA-N	403.898	5.359	30	20	HKED	
COc1cc(C=NOCc2ncc(-c3ccc(Cl)cc3)o2)cc(Cl)c1OC	727469881	MKKIUZYYEOROAK-UHFFFAOYSA-N	407.253	5.216	30	20	HKED	
C[C@H](CC#N)N(C)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2F)c1=S	728902601	TXUQJPQZYNAQHO-CQSZACIVSA-N	415.925	5.054	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)n2)cc1	731289349	XAFJXYGGMQYFIF-DNVJHFABSA-N	424.525	5.952	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccccc1S[C@H](C)CC#N	731332552	OFYATYRVGLJDIG-OAHLLOKOSA-N	424.957	5.540	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1	732592750	BRXCYEPZKPBDPS-FDFHNCONSA-N	424.525	5.855	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1Oc1cccnc1	732714777	XTTRYTJAOBMPPI-ONNFQVAWSA-N	400.434	5.035	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	733034569	ZQPXPJORLALMAY-LIRRHRJNSA-N	401.482	5.586	30	20	HKED	
C#CCN(C(=O)Nc1cccc(C)c1C)[C@H]1CCOc2ccc(Br)cc21	733614916	GCIMQANHONTIKE-IBGZPJMESA-N	413.315	5.057	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1cnc2ccc(C#N)cn12	736434443	SIZBFGDBBFMLHM-FPLPWBNLSA-N	404.882	5.187	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H](C)[C@H]2c2ccc(C)cc2)c1=S	738283988	HXYFUCSLUGKQJL-UGKGYDQZSA-N	419.598	5.401	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1	739154613	LFMPKEFVQPDBMQ-KDOFPFPSSA-N	412.917	5.061	30	20	HKED	
CC(C)C[C@@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1	741050914	UUVVFJPIJIMJFG-OAQYLSRUSA-N	402.494	5.111	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744034176	BTXFRIDWQZKLMK-RDTXWAMCSA-N	412.917	6.048	30	20	HKED	
C[C@@H](ON=Cc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)no1	744445764	VPOIEAZHMUTPKA-LLVKDONJSA-N	406.667	5.264	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1sc(C2CCCC2)nc1C	745608327	UQOPQUWOKUSRDK-UHFFFAOYSA-N	416.568	5.183	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	747109593	XYDLFEXZOMXCBH-KRWDZBQOSA-N	419.308	5.117	30	20	HKED	
N#CCCCCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	748136135	LCLJKKJGAFUOJK-AUPQCFOMSA-N	411.386	5.346	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2ccc(C)nc2Br)s1	755618106	FHRUEANNJWJZIC-UHFFFAOYSA-N	411.369	5.159	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc(Cl)ccc1F	759033872	KAXWNVKTCJHAKK-UHFFFAOYSA-N	403.788	5.151	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1	763478883	QOMGRIJULDGZOF-ZDUSSCGKSA-N	408.495	5.321	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)c1=S	765034395	ANRHGXYHNIOGFO-UWJYYQICSA-N	423.561	5.232	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@H](c2ccccc2)c2nccs2)cc1OC	770184713	GFRYHSJKLLWXGE-MMQQXXMXSA-N	407.491	5.063	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1	778605552	RNFZDCGEPOHCAB-QGZVFWFLSA-N	422.834	5.445	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccccc1O[C@H](C)C#N	780682688	WVFYTBAETQVIQE-OAHLLOKOSA-N	416.319	5.182	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2csc(Cl)c2)cs1	787186373	NZONDVDELZABNF-QPJJXVBHSA-N	423.346	6.092	30	20	HKED	
N#CC1(CCCN[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)CCOCC1	796467989	AXZGEBMTAWALCW-QGZVFWFLSA-N	414.764	5.269	30	20	HKED	
CN(C)c1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1	801662019	XAHVWFYSQULNDN-HNNXBMFYSA-N	408.317	5.440	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1nccc2ccccc12	802813609	ONQQRHWCKUAURW-GOSISDBHSA-N	409.258	5.044	30	20	HKED	
COc1cc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cc(OC)c1OCC(F)F	809158909	YNHDHQZYIWYUGZ-GESOSKEOSA-N	400.421	5.048	30	20	HKED	
Cc1cccc(C)c1-c1cccc(OC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1	811221905	JXUMFQRLGSRDJX-UHFFFAOYSA-N	424.504	5.040	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C4SCCS4)cc3)c2C#N)C1	877882487	MSIXZYBBIISDCS-GFCCVEGCSA-N	400.594	5.475	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[nH]c2c1C(=O)CC(C)(C)C2	915085726	FAUGSTOFELWPMB-HXUWFJFHSA-N	411.505	5.386	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3cn(CCC#N)c4ccccc34)SC2=S)cc1	915850145	VGUBCPKOFZPTFR-MOSHPQCFSA-N	403.532	5.269	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cn(CC(C)C)c2ccccc12	916909072	RMBCUDGJPSACFV-OAQYLSRUSA-N	415.537	5.383	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c(C)n1-c1ccc(C(C)C)cc1	917505576	OZZRVWSGQGNOBI-JOCHJYFZSA-N	415.541	5.026	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)c4ccccc4SCC#N)CC3)c[nH]c12	918678418	ZTCJQAPRVYSRIC-UHFFFAOYSA-N	403.551	5.366	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc2c(c1)CCCC2)c1nc(-c2c(F)cccc2F)cs1	920804489	RTVCGMRREPLYPF-QGZVFWFLSA-N	408.473	5.386	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(F)(F)CC=C)cc2)CCC1	1791298589	FGUPDVRALGEIRM-IBGZPJMESA-N	402.485	5.100	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826367986	LXRQLXFXQPHUJR-DQEYMECFSA-N	422.613	5.007	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2)CC1	1829962105	HWKCJIUAAIORRF-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2)cc1	10170627	FDUGOZGAGRUASO-UHFFFAOYSA-O	403.571	5.594	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(C)c2)c1	10172536	PXNLGZCENGNQQO-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(F)cc1F	22727116	RDCIIMPDEDVQJV-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1	26193174	GMGKQQGOJNJVGC-ZDUSSCGKSA-N	419.959	5.147	30	20	HKED	
Cc1ccc(-n2c(SCc3cc(C#N)ccc3F)nnc2-c2ccncc2)cc1C	29812760	KMYHSXOYWZOQNH-UHFFFAOYSA-N	415.497	5.249	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1	55570241	APMMITRJQKWBSJ-UHFFFAOYSA-N	405.498	5.140	30	20	HKED	
CCN(C(=O)CCCc1ccc(Br)s1)[C@H](C)c1ccc(C#N)cc1	97174688	YRBPXJKKEHRCGZ-CQSZACIVSA-N	405.361	5.315	30	20	HKED	
N#Cc1cnc(N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c(Cl)c1	302697370	TXDQNHGVPTWNRR-SFHVURJKSA-N	413.706	5.160	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)c3cccc(SCC#N)c3)c(C)c2)c1	430694539	QLOBJFYKOSRNMN-UHFFFAOYSA-N	402.519	5.750	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@H](C3CCC3)C2)cc1Cl	432676874	BZZKPLWWIBZNDU-KNQAVFIVSA-N	423.944	5.276	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)c1	432860658	TZYVXKBLDIJCLX-UHFFFAOYSA-N	419.569	5.162	30	20	HKED	
N#CCCC[C@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccccc1	433016795	URSVHULBRXBSSY-HNNXBMFYSA-N	417.332	5.085	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N(C)Cc1cccc(C#N)c1	436080389	HQJASHALCLHGMS-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C	437811457	QXGMTLPEFHPORE-UHFFFAOYSA-N	404.514	5.026	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N(CCC(F)(F)F)CC1CC1	438703018	USBAIKUIVYYBGP-UHFFFAOYSA-N	418.309	5.086	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCC1CCC(C#N)CC1	442155787	NAEALDFFYSBVNJ-FHERZECASA-N	416.978	5.462	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c2ccccc21	444337974	DQOCERJUTGURPE-LJQANCHMSA-N	421.369	5.257	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1OC(F)F	460235154	RAQARMXKILKEFP-DOTOQJQBSA-N	405.832	5.245	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	461014687	SGJCGRUXAWZNFH-UHFFFAOYSA-N	423.582	5.302	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)s2)cc1	463777753	VQZXAXCJUGEHQI-OAHLLOKOSA-N	418.305	5.120	30	20	HKED	
CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@@H]1CCOC(C)(C)C1	464682976	HJJPZROFPZLXLF-LJQANCHMSA-N	412.917	5.424	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OC	464955277	SSYKVTDCTKWGQP-AZUAARDMSA-N	412.917	5.049	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1cccc(C)c1	466615071	BDWVZWCBDOADID-KRWDZBQOSA-N	417.538	5.651	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	468204221	ABAGEVOJXJJLQF-GHMZBOCLSA-N	407.285	5.327	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)Nc1ccn(CCC#N)n1	470514414	WOMOPEUBRRSNFL-UHFFFAOYSA-N	420.473	5.165	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1	470685533	XTULJBLNTVAGOI-NHCUHLMSSA-N	420.900	5.114	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1	471612474	GKQCNYUYZUKXAH-UHFFFAOYSA-N	412.293	5.258	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccccc3Oc3ccc(Cl)cc3)o2)c1	471628314	UFOQSNKOUBATSO-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1	473834267	ZVDJOTISJGFQQD-LJQANCHMSA-N	416.550	5.883	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CC(N3CCCCC3)C2)cc1Cl	475360841	CGHSQHACMATDBX-AOMIVXANSA-N	422.960	5.134	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cn1	475510089	UDECGUSTVXSYDK-MRXNPFEDSA-N	422.326	5.146	30	20	HKED	
N#Cc1cnc(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c(Cl)c1	477320527	JDKQSZJQZYUKAB-UHFFFAOYSA-N	424.593	5.107	30	20	HKED	
CC(C)N(Cc1cccc(F)c1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479181101	BAMKIBDVFPQUFD-UHFFFAOYSA-N	409.505	5.008	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)N(CC)CC)c1	479964937	MPGOWAMYXQAVND-UHFFFAOYSA-N	405.951	5.104	30	20	HKED	
N#C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(OCc2ccccc2)cc1	480804960	NENBTENHBSTGAA-FQEVSTJZSA-N	411.288	5.567	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H]1CCc2ccc(F)cc21	481364964	BNHXJDBQEOLEIC-KUHUBIRLSA-N	400.544	5.437	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1	483214086	CZRQZLWEHGCRPP-QFIPXVFZSA-N	405.482	5.748	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1	483930292	HLMISFPDVHKXLJ-KRWDZBQOSA-N	409.408	5.038	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1	486484019	CAJDEXXWODUHEY-UHFFFAOYSA-N	417.534	5.539	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@H](C)C#N	487507259	IRAHVGDGPRGADO-CYBMUJFWSA-N	401.513	5.211	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2cccc3[nH]ccc23)cc1	502161928	JKTJROYNFYZMFE-UHFFFAOYSA-N	424.504	5.177	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)CC2)cc1	503490309	DVUIQTKSDNSANP-UHFFFAOYSA-N	400.507	5.367	30	20	HKED	
Cc1cc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)nn1CCC#N	504101177	XBDPBZRJAWUGHW-JOCHJYFZSA-N	424.957	5.220	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1	504995110	XWBLAKNMOZDMCL-UHFFFAOYSA-N	402.800	5.137	30	20	HKED	
N#Cc1csc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1	505403598	BBWKPBQOERRILC-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	510025302	BRNJMFMLYKOYPP-GMAHTHKFSA-N	419.912	5.505	30	20	HKED	
N#CC1(CCCSCc2cccc(Br)c2OC(F)F)CCOCC1	510115650	LWDDOBGKTLIXIZ-UHFFFAOYSA-N	420.319	5.384	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3)n2[C@@H](C)c2ccccc2)cc1	510233467	LKBTUPCBSYFZJT-RDPSFJRHSA-N	424.573	6.090	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)o2)c1	511143172	PLAWISBEGVQFKE-GOSISDBHSA-N	412.415	5.007	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@@H](CC)c2ccc(Cl)s2)cc(OC)c1OC	512589237	UMMIYXWRVVLIFO-HNNXBMFYSA-N	408.951	5.098	30	20	HKED	
N#Cc1ccc(CN[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c(Br)c1	513127025	BKJOTOJFGQOXPF-QGZVFWFLSA-N	408.221	5.195	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCCCOc1cccc2ccccc12	517178068	OUKWZVMQSKLNOD-UHFFFAOYSA-N	410.926	5.506	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	518372260	KTRDZHWQFRRFKT-OAQYLSRUSA-N	403.507	5.563	30	20	HKED	
O=C(Cc1ccccc1C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1	519106096	PFJHWTPVGDVGBA-UHFFFAOYSA-N	423.328	5.304	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2F)CC(C)C)cc1	519913147	JPQRWFXTJVGZKB-UHFFFAOYSA-N	423.532	5.330	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	521090427	DZIAMJWIKCHJKL-UHFFFAOYSA-N	411.792	5.070	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCc4ccccc43)c2)cc1	522084875	ISGXXDKMZOBESN-QFIPXVFZSA-N	411.505	5.183	30	20	HKED	
COc1ccc(-c2nnc(S[C@@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)cc1	522822141	FNUJHCFHBRDKEN-INIZCTEOSA-N	416.506	5.320	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3Br)c2)c1	523708732	VBBVQXDMCBOGNS-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)c1	524388150	LSQFUXCRMDNBJJ-UHFFFAOYSA-N	410.395	5.337	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)sc2nccn12	533675469	UYWFQLUBDBRFRJ-KRWDZBQOSA-N	406.898	5.265	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1coc(-c2ccc(C(F)(F)F)cc2)n1	534403203	LOQWOUNVDAQUQK-CQSZACIVSA-N	417.456	6.224	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(Cl)c1	538654971	FWHZORLXZPQCLZ-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
Cn1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(-c2ccccc2)n1	541092727	FAMLBJQNZAXNEG-UHFFFAOYSA-N	423.476	5.073	30	20	HKED	
CC(=O)c1ccc(C#N)c(N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1	541576215	AZNPQZWFJKUCLH-GOSISDBHSA-N	406.530	5.041	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1	541622566	QKZSLKGPQPQNST-OAQYLSRUSA-N	410.304	5.512	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1cccc(F)c1Sc1ccccc1	542286459	CJGYOEBCOCVOSV-UHFFFAOYSA-N	422.481	5.126	30	20	HKED	
COCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	543034550	OGQFOCZIRSFAJQ-VQTJNVASSA-N	400.522	5.662	30	20	HKED	
C[C@@H](N[C@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1	543921256	HHTZSIJLTBAZTI-QZTJIDSGSA-N	419.550	5.009	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1	558743742	ZTEDYHVCSALHJA-MRXNPFEDSA-N	404.539	5.113	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)n1	560029658	WXWGCXNKMXHLKS-AWEZNQCLSA-N	408.329	5.250	30	20	HKED	
C=C(C)COc1cc(CNCc2ccc3c(c2)nc(CC)n3C2CC2)ccc1OC	568106720	OKXULQWUNJGQDG-UHFFFAOYSA-N	405.542	5.187	30	20	HKED	
CO[C@H](c1noc(-c2cn(CCCC#N)c3ccccc23)n1)c1ccccc1Cl	576312746	IDUHTVOADVRMSC-FQEVSTJZSA-N	406.873	5.384	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccccc1Sc1ccc(Br)cn1	579772191	SAHKBNBZQJYYJE-UHFFFAOYSA-N	418.360	5.055	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F	584684468	IPGZJXJKTWYBRV-OAHLLOKOSA-N	405.420	5.332	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)cc(OC)c1OC	599246902	QTQRIEVMNFVHJS-UHFFFAOYSA-N	409.511	5.193	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1	603742862	IFLZDLVDFXYVJS-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2ccc(Cl)cc2)cs1	603836550	DCKBEHDILYTBHV-HNNXBMFYSA-N	423.837	5.608	30	20	HKED	
COCc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)oc2ccccc12	603991790	RDVLWHBNARSUHK-UHFFFAOYSA-N	414.486	5.530	30	20	HKED	
C=CCCCN(C)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2	605645512	OYKUWNUYGOXWTB-UHFFFAOYSA-N	411.855	5.071	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609064896	RGNWZACFEUUBDJ-UHFFFAOYSA-N	405.523	5.452	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	609173059	KLVUCEIDFZVXCL-QHCPKHFHSA-N	423.472	5.224	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12	609188374	PGTFTHBNMNSNMS-UHFFFAOYSA-N	408.502	5.200	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1	610599163	WDVOLJUXQBVQQT-QZTJIDSGSA-N	407.564	5.021	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)o2)cc1	613402925	KORAVWJCUJJPON-MRXNPFEDSA-N	420.877	5.902	30	20	HKED	
C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2csc(C)n2)c1	639941324	MSOFJISQECVPQX-UHFFFAOYSA-N	416.506	5.121	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)N(C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	679993773	JIXAALKEDQNKIU-LBPRGKRZSA-N	416.268	5.315	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	684630984	FTLGEVONBRAKJY-AWEZNQCLSA-N	411.845	5.542	30	20	HKED	
N#CCCCOc1cccc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)c1	726749822	JMNRYGUHDJASTD-WQRHYEAKSA-N	401.249	5.020	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(-n4cncn4)c(F)c2)CC3)cc1	727654638	PLAZBXWHGYXMTL-YVLHZVERSA-N	416.481	5.051	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1C#N	727790664	PFIKYXNBXQGEND-NRFANRHFSA-N	416.502	5.197	30	20	HKED	
Cc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728062984	YOTYERFMLFCTAN-KRWDZBQOSA-N	419.912	5.538	30	20	HKED	
CCC(CC)(NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)cc1	728928108	LNHBDXDOFJSBFD-LJQANCHMSA-N	418.928	5.182	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(OCC(C)C)cc2)cc1	730396067	LPTSXBRILFGALQ-MBSDFSHPSA-N	406.526	5.125	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1nc2cc(F)ccc2s1	730422423	XPOMQASNWFIIRN-ZDUSSCGKSA-N	407.297	5.941	30	20	HKED	
Cc1ccc(C2=CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1	731031470	SJTJMGNCVJKQEU-IBGZPJMESA-N	405.567	5.117	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCCC1	731124650	JLHOUBRANSWWOY-QFIPXVFZSA-N	421.566	5.069	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(OCc3cccc(F)c3)cc2)c1	733800887	MCFVOZYTSAAPCI-HSZRJFAPSA-N	404.485	5.375	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1cc(Br)ccc1Cl	735333673	KGPGIWJJLZIPFU-UHFFFAOYSA-N	415.070	5.015	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	736955115	FJVLQWJMRPVYLW-KPCPBYSCSA-N	413.496	5.891	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	738895266	IQAUNHALQOZJRS-DNQXCXABSA-N	413.521	6.393	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	739160803	NBKUVJZYTGWDEU-GXTWGEPZSA-N	400.425	5.282	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc(Br)c1O	741474844	ZWCXPRBWSOEELM-AATRIKPKSA-N	410.267	5.121	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C\C(=O)c3c(Cl)nc4sccn34)c2)c1	741844251	NCOCYSCQTMYOGF-FPLPWBNLSA-N	419.893	5.396	30	20	HKED	
CCN(C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)[C@H](C)c1ccc(C#N)cc1	742576235	NLTWEBPHFCTLNE-QGZVFWFLSA-N	407.514	5.437	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1ccc(Oc2cnccn2)cc1	743056331	VOFUMZBHBYPAHA-NYYWCZLTSA-N	417.465	5.736	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cncc(-c2ccc(C)cc2)c1	757874988	MKWXILMTZJSLSD-HSZRJFAPSA-N	411.505	5.143	30	20	HKED	
N#CCOc1ccc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1	760934002	UELGKBDEPPXHPB-UHFFFAOYSA-N	405.325	5.077	30	20	HKED	
Cc1cc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)nc(-c2ccc(Cl)cc2)n1	777143390	FBECDAVVWHNPQW-UHFFFAOYSA-N	403.869	5.018	30	20	HKED	
CC[C@@H](C#N)SC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cc(C)cc(C)c1	780332055	KKJRWKUUMWKSHJ-DZSVRRGNSA-N	405.523	5.091	30	20	HKED	
C#CC[C@@H](NCCCC(=O)Nc1c(C)cc(Br)cc1C)c1ccccc1	782052753	LSJPCVZCKDDCAN-HXUWFJFHSA-N	413.359	5.139	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Br	789718027	DOSGABKIVYEOIZ-UHFFFAOYSA-N	403.276	5.462	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C	789718518	HXZKYLNLHPWNAI-SFHVURJKSA-N	418.603	5.220	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	794223187	WCEMMDAPPPUTKW-FPOVZHCZSA-N	417.534	5.253	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1nc(-c2c(F)cccc2F)cs1	796907251	ZSWNOFLMFAAFCY-OUAUKWLOSA-N	400.372	5.243	30	20	HKED	
CN(C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2s1	808069621	CAGZKSRMDSCNMM-UHFFFAOYSA-N	424.957	5.091	30	20	HKED	
N#C[C@@H](C(=O)C1(C(F)F)CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	808978921	QAVQMCJYMJDZBL-LBPRGKRZSA-N	415.292	6.119	30	20	HKED	
C=CCn1c(-c2ccc(C)cc2)nn(CN2CC(C)(C)[C@H]2c2ccncc2)c1=S	814227743	LBLDYTVURYECGS-HXUWFJFHSA-N	405.571	5.011	30	20	HKED	
CC(C)c1noc([C@@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	914881583	CUDZZQTWVXVGSB-OAHLLOKOSA-N	407.495	5.275	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2cccc(Cl)c2)cs1	915082139	IPYRPBFECFSPHC-UHFFFAOYSA-N	408.870	5.280	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)nc(C)n1	915103244	NKVBNZWCXAOGBF-NZQKXSOJSA-N	421.953	5.446	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1	916906867	VYGVCLPYLZSFQA-NLBZTSMMSA-N	416.864	5.493	30	20	HKED	
C[C@@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2C1	916927158	DNJVACVXCSCMRT-MFKMUULPSA-N	407.322	5.141	30	20	HKED	
C/C=C\c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(OC)c1	917026287	YFWSVPKDRKGTMM-BHSUKZTGSA-N	404.491	5.107	30	20	HKED	
Fc1c(Cl)cccc1NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1	921137725	IAIXYDRZWJYRKG-UHFFFAOYSA-N	405.864	5.232	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4scnc4c3)cc2)CCC1	1789341085	NDFIKKNQFNRIQK-MRXNPFEDSA-N	419.550	5.256	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1	1818806997	YKHJYLRUBMRWHJ-UYAOXDASSA-N	412.578	5.141	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1	9738341	AKXOKUQCQFRZDH-UHFFFAOYSA-N	412.312	5.016	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1-c1ccoc1C	20050630	GEJAVMQNVWHBSK-UHFFFAOYSA-N	412.518	6.026	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2ccccc2)o1	22574681	XJCQEDRTPHNOTH-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
C=CCn1c(SCc2cc(C)no2)nc2sc(-c3ccccc3)c(C)c2c1=O	25794917	PZFFDGDRZBRYFP-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)c3cccnc23)nnc1-c1ccccc1OC	31651084	VVLHXGLMDBWQDQ-UHFFFAOYSA-N	422.941	5.634	30	20	HKED	
Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccc(F)cc12	31776732	VXUOWRUOJJOBJE-UHFFFAOYSA-N	400.409	5.583	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2cc(F)ccc2s1	33196240	XVDQPDMGQUDBDA-NXEZZACHSA-N	413.358	5.680	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)c1	55772178	HFYHLADIYVNBLF-WBVHZDCISA-N	415.415	5.118	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)cc2Cl)cs1)c1ccc(C)cc1C	57957159	UHZWEWUYCOHWRT-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(COc2ccc(C)cc2)n1	63381145	KLAMXQVFLYHKMH-UHFFFAOYSA-N	409.511	5.127	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-]	107648860	JUYUWMFJERHGIC-IBGZPJMESA-N	405.841	5.464	30	20	HKED	
Cn1c([C@@H](NCc2cccc(OCCCC#N)c2)c2ccccc2)nc2ccccc21	237874769	JYNCYIJFZPRMBS-VWLOTQADSA-N	410.521	5.135	30	20	HKED	
Cc1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1ccccc1C(C)C	303288131	LWDWCGKMVLLOOI-INIZCTEOSA-N	419.554	5.203	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)o1	303819800	DQDWYVLLHIWQNZ-UHFFFAOYSA-N	400.356	5.087	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	428880960	JVOUOJHAFOACPU-UHFFFAOYSA-N	404.392	5.050	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(SCC#N)c1	429925401	MNYRNQCDBXDRRY-UHFFFAOYSA-N	415.493	5.468	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1	431348716	JUQSECNPIMBZTI-FQEVSTJZSA-N	422.941	5.323	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@H]1c1cccnc1	432994353	OEFRJZNGXPHYBZ-QFIPXVFZSA-N	416.456	5.500	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1	434195757	JXUZXYDGZSSIOT-QHCPKHFHSA-N	417.553	5.158	30	20	HKED	
Cn1c(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc2cc(C(F)(F)F)ccc21	436334673	URUVYGPQILMVIS-ICSRJNTNSA-N	411.427	5.109	30	20	HKED	
CC[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1	437556991	MHJIRTGQVHEUEL-PBHICJAKSA-N	406.473	6.089	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCS1	437885302	BDWXBEJCJIQWHZ-QGZVFWFLSA-N	401.919	5.363	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)s1	438031779	ZRPSKZAPMFWJCB-INIZCTEOSA-N	420.538	5.903	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccccc1	439359653	OZQMVQZRICTSFH-QHCPKHFHSA-N	424.504	5.056	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(CCC(F)(F)F)cc3)o2)cc1	439643247	GJVOSKVBWMSDOK-UHFFFAOYSA-N	414.383	5.477	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(F)c1	439644626	IPQWEVOCMXAWQE-OAHLLOKOSA-N	407.420	5.376	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1	441560686	AAULQURSXFEJSW-KRWDZBQOSA-N	402.416	5.603	30	20	HKED	
CCn1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1-c1ccc(Cl)cc1	443427911	HNKFXYAZLQZZFE-UHFFFAOYSA-N	409.824	5.055	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1ccsc1)c1nc(-c2c(F)cccc2F)cs1	444455935	ATRITEOJJJIAJD-NSHDSACASA-N	412.446	5.030	30	20	HKED	
Cc1ccc2c(CCNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cn(C)c2c1	444819453	RNNYXIYKMIFYBE-KRWDZBQOSA-N	406.555	5.245	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	446895868	GFTUJWQPCNTFEG-HKBOAZHASA-N	415.459	5.470	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1Cl	462268524	HUVSRKRZNGEDIU-DWLFOUALSA-N	409.917	5.075	30	20	HKED	
N#C[C@@H](C(=O)c1sc(C2CC2)nc1-c1ccccc1)c1cc(C(F)(F)F)ccn1	464418684	HYIWUZXDTALFCW-OAHLLOKOSA-N	413.424	5.591	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1cc(C(F)(F)F)ccn1	464423671	DTFKNINPUXMPNK-GOSISDBHSA-N	415.415	5.109	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	464725973	PTJADKWPTAEJRR-LZJOCLMNSA-N	411.546	5.242	30	20	HKED	
C=CC[C@@H](C)NC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466508112	DAGLGCZJCXONOY-DGCLKSJQSA-N	408.365	5.206	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	467168883	KGZWTKZGIFHQFY-OAQYLSRUSA-N	421.541	5.002	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1F	467569330	BPKVBHNWLASGJL-OAQYLSRUSA-N	423.469	5.157	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)o1	468124422	NXPCWQZKFVFCLU-HSZRJFAPSA-N	415.493	5.011	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(c2ncc(C)s2)CC1	470058083	OEZMCBSZDZTVCG-UHFFFAOYSA-N	410.461	5.055	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	476105704	CFGCNZMZZIEUPE-UHFFFAOYSA-N	400.478	5.834	30	20	HKED	
CC(C)(C#N)CCCS(=O)(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	476902796	MRIMWEFTPDIKEC-UHFFFAOYSA-N	416.490	5.074	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1F	478918920	ZWSAEHBQWATDNY-UHFFFAOYSA-N	406.511	5.358	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1	479665566	UKXOFXVQYYVZPP-JOCHJYFZSA-N	418.493	5.062	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483197835	MBIRZQNRGUSNBA-IBGZPJMESA-N	401.466	5.220	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	485599699	MUXKPZLODFKNHW-HNNXBMFYSA-N	407.392	5.123	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	486909847	KOGZYXMESPDPNX-SJCJKPOMSA-N	411.424	5.645	30	20	HKED	
C=CCC[C@@H](C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1	487546531	CYFVTAUNEHKUOO-QGZVFWFLSA-N	419.352	5.530	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(-c3ccccc3Cl)on2)cc1	487914285	OSYHGQWAEGKGNH-UHFFFAOYSA-N	419.790	5.071	30	20	HKED	
C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1	489488703	YTAWQKVONQRMTL-VXNZKSKFSA-N	411.505	5.326	30	20	HKED	
C=CCn1c(SCc2cccc(OC(F)F)c2)nnc1-c1ccc(OC)cc1	496556228	RNGGGGBREJLADK-UHFFFAOYSA-N	403.454	5.033	30	20	HKED	
N#CC1(F)CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1	497694867	CQLHXLJXJJIBBW-SFHVURJKSA-N	406.288	5.120	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1Br	499000795	QWCBKIIGKUYZAH-UHFFFAOYSA-N	423.335	5.402	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1cccc(F)c1	503298316	BJVUGEAOCHYIOM-UHFFFAOYSA-N	418.443	5.341	30	20	HKED	
N#C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(Cl)c1Cl	505341956	FBNDOSMABJJMLA-DZGCQCFKSA-N	401.215	5.410	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1cccc(C(F)(F)F)c1	505955811	ZYFSWDOJEHSZHW-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccccc1Sc1ccccc1C#N	506315638	DQDGMDMTEZUESW-JOCHJYFZSA-N	414.530	5.095	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1	506431969	YIGPYYQSCBOJIU-UYAOXDASSA-N	407.489	5.563	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCc3cc(F)ccc32)cc1	508198564	BXFFAANHGOPYHX-QFIPXVFZSA-N	402.494	5.407	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(C)cs1	517104675	SYVNLOLAFZWGMJ-IBGZPJMESA-N	424.501	5.314	30	20	HKED	
CCSCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	518516503	HLUAJHJHKHJSDT-LJQANCHMSA-N	403.532	5.425	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1ccc(F)cc1C(F)(F)F	519896007	QXLXDBUNVLPKQN-NSHDSACASA-N	422.344	5.766	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(c1ccccc1)c1ccccc1	521235698	WPRUERQVGMKDGN-UHFFFAOYSA-N	400.478	5.116	30	20	HKED	
C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	521855320	KQJHABFIQGMNPJ-GOSISDBHSA-N	415.493	5.262	30	20	HKED	
N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)nc1	521929593	DRFGCQZSXLNTRN-UHFFFAOYSA-N	403.438	5.383	30	20	HKED	
CC(C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1Cl	521929622	GJRAQRIGXJAMSK-UHFFFAOYSA-N	405.885	5.107	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)sc2nc(C(F)(F)F)ccc12	522829737	VZICNUIFFPLKJY-LBPRGKRZSA-N	414.412	5.298	30	20	HKED	
COc1cccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	524438042	LFEJCUSGEIOCEK-SFHVURJKSA-N	415.493	5.337	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	524644882	YAPFAWQGSCSEGB-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)C1CC1	533139435	BDFYZGZALBSPKO-ZDUSSCGKSA-N	404.392	5.049	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3Cn3cnc4ccccc43)c2)cc1	533749196	OGBYTJJBPZDPFI-OAQYLSRUSA-N	422.488	5.005	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cccc(Oc4ccnc5ccccc45)c3)cc2)CC1	537419919	IRZCNYOEAYFZAI-UHFFFAOYSA-N	405.457	5.835	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1	538028833	OQCSMACNKLUABO-UHFFFAOYSA-N	412.493	5.286	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1cn(-c2ccc(F)c(Cl)c2)nn1	543028340	OOZOQZBQMBGVRJ-ZDUSSCGKSA-N	401.898	5.066	30	20	HKED	
O=C(CC(F)(F)F)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543084684	PSCACFKNWPFJCA-VIFPVBQESA-N	421.181	5.396	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc2[nH]c(-c3cccs3)nc12	545384567	IDTIXMIEHVMULQ-UYAOXDASSA-N	412.518	5.203	30	20	HKED	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCOCCC#N)nnc1-c1cccs1	549013573	ZDRUUMZAYNJZGR-QZWWFDLISA-N	402.589	5.026	30	20	HKED	
N#Cc1ccc(Br)c(C[S@@](=O)C(c2ccccc2)c2ccccc2)c1	549682404	QSVVWCKLTZJNPL-RUZDIDTESA-N	410.336	5.359	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2coc3ccccc23)cc1OC	550226470	ASHDTEAAYRTCOO-UHFFFAOYSA-N	402.288	5.059	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1Cl	552840931	XHYGSTUJQOUNSL-IBGZPJMESA-N	406.873	5.094	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)cn1	555037814	OIIDRDMPHAJPBR-UHFFFAOYSA-N	414.509	5.380	30	20	HKED	
CCCN(CCC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1	555812576	NSJJITICXWGKMM-UHFFFAOYSA-N	420.557	5.263	30	20	HKED	
C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1	558963766	RUWLNQXXSHUWJP-UHFFFAOYSA-N	422.920	5.028	30	20	HKED	
Cc1cc(Br)c(C(=O)N[C@](C)(C#N)CCc2ccccc2)cc1Cl	561330981	VBZPXUVNSFNBKG-IBGZPJMESA-N	405.723	5.056	30	20	HKED	
COc1ccc(C2(c3noc(C[C@H](CC#N)c4ccccc4)n3)CCCC2)cc1OC	571482435	SQZLQTJJHBKIJI-IBGZPJMESA-N	417.509	5.187	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]2CCCC[C@H]12	580114652	CTJLRHDQCFHVFP-XANCMCCPSA-N	403.526	5.374	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	580679961	YIIITGFUNYWUGP-BJKOFHAPSA-N	417.597	5.524	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccoc3C(F)(F)F)c2)cc1	582210370	MEUNKRIGXRFKHU-UHFFFAOYSA-N	400.356	5.196	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(F)c(Br)c1	589505320	XUOHCGKPOROCBM-SNVBAGLBSA-N	401.201	5.329	30	20	HKED	
Cc1cc(C)c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)sc2n1	603764775	LYSWAGPKIXRMRF-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Br)cc2)cc1	604003993	OCGWEDOYJANPLU-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)cn2)c1	604088000	FBZSBHXKZVXZAW-OAQYLSRUSA-N	402.429	5.254	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604193341	HSJBEHYDHTWWMG-UHFFFAOYSA-N	422.916	5.825	30	20	HKED	
COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCC(C)C	608918366	JHPNLSNNSIQQLE-IBGZPJMESA-N	423.557	5.283	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	609437104	PJBDTQBGISGMAV-QRQCRPRQSA-N	423.538	5.125	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1ccccc1Br	609590983	IGBAEQKJVDVOEH-ZJOUEHCJSA-N	405.295	5.087	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Oc1ccncc1	609644377	PKDQFSTYBPIOHN-INIZCTEOSA-N	403.507	5.686	30	20	HKED	
CCCc1ccc(-c2ccc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)cc2)cc1	609791649	JHGVPURSTUALLG-UHFFFAOYSA-N	413.521	5.467	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(Oc3ccccc3)c2)c1C	610053753	VTBMATCEXYHXAZ-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	610156863	AWXLDDVNEJWOOZ-BMFZPTHFSA-N	420.456	5.722	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H](C)c3cccc(C#N)c3)s2)cc1	610351085	MNQULMBXEJZGDG-WBVHZDCISA-N	404.539	5.420	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOCc1ccc(Cl)cc1	611095390	YLQQFWCZWFQNLC-HNNXBMFYSA-N	403.935	5.073	30	20	HKED	
N#Cc1ccc(F)c(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c1	612536393	RDUHABSRXTUFCC-INIZCTEOSA-N	401.201	5.243	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1	615822479	YRNPRAHTABPFMQ-OAHLLOKOSA-N	402.869	5.793	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1OC	672581860	KNXSCQQJEUTHFX-CYBMUJFWSA-N	420.412	5.131	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)c1ccc(C(F)(F)F)cc1	676761430	VWTYBRCMJQDEFX-RTBURBONSA-N	420.479	5.165	30	20	HKED	
C=C[C@](C)(CCOC)c1nc(-c2cnc(Oc3ccc(Cl)c(CC)c3)cn2)no1	685343349	NMHSDAJRJBFQME-OAQYLSRUSA-N	414.893	5.015	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1ccc(O)cc1	685548831	VFQDKAUXGBHQKJ-IIBYNOLFSA-N	424.932	5.305	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	685669948	IBJUEACOIIODTB-ZDUSSCGKSA-N	413.268	5.112	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(C)=NNc3ccc(OC(F)F)cc3)c12	726427354	VVZIFARMKDAEOO-UHFFFAOYSA-N	409.440	5.221	30	20	HKED	
Cc1ccc(OCCSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	730950865	BVJKRRKLNCTSRJ-KRWDZBQOSA-N	400.569	5.140	30	20	HKED	
CC(C)(C)n1cc(C=NNCc2ccc(F)cc2F)c(-c2ccccc2Cl)n1	731153386	JJXPWEPMGWGUNF-UHFFFAOYSA-N	402.876	5.360	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cnc1Cl	731332656	PIVNVANJCSPCQL-JTQLQIEISA-N	410.724	5.144	30	20	HKED	
O=C(/C=C/c1cccc(OCc2ccccc2F)c1)c1ccc(C(F)(F)F)nc1O	731563705	SBWRZCFSMLUHQP-CSKARUKUSA-N	417.358	5.420	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2N2CCCCCC2)c1	733843648	SWIFZWTXKARPTJ-FQEVSTJZSA-N	406.530	5.070	30	20	HKED	
O=C(/C=C\c1ccc(-c2cccs2)cc1F)c1ccc(N2CCC(O)CC2)cc1	734235302	KOGWFUDMHKLLIU-YFHOEESVSA-N	407.510	5.411	30	20	HKED	
C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccs1	737506848	MFGHYKREQGLUSG-LLVKDONJSA-N	421.469	5.428	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	739534233	NNKMRZLYHFXUNN-UHFFFAOYSA-N	423.513	5.291	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4ccc(Cl)cc34)n2)cc1	740542368	RKKLWGUHAHZTRE-SFHVURJKSA-N	421.909	5.372	30	20	HKED	
N#CCOc1ccccc1C(=O)N(Cc1cccs1)C12CC3CC(CC(C3)C1)C2	741929355	VBDHAOWRNMALOE-UHFFFAOYSA-N	406.551	5.262	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C(F)(F)F	743216310	KQMVPJPHMJMXGQ-UHFFFAOYSA-N	415.371	5.110	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1)C(=O)O	745021441	OLQTXCJDKYOORS-QSYFUGGGSA-N	423.446	5.071	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)N[C@H](C)c1ccccc1	745723551	BOUNPCUCZKDSEA-GOSISDBHSA-N	403.526	5.648	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1	747197302	XCTOCNLGDWUTKZ-OWCLPIDISA-N	407.564	5.802	30	20	HKED	
C=CCN(C(=O)COc1cc(C)on1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	747544685	VGMZTTVWYXKTHV-UHFFFAOYSA-N	424.309	5.011	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1	748620644	SLOGRHRIXHHEKJ-UWJYYQICSA-N	422.529	5.439	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F	749025453	MTDJLUATHGERIM-AWEZNQCLSA-N	418.241	5.003	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1	752202389	UZWNBSCBGWTEEE-UHFFFAOYSA-N	414.383	5.519	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCc2nc(-c3ccccc3)sc21	753141870	JUPVUAWWLROPEV-FOWTUZBSSA-N	401.516	5.541	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(-c2c(F)cccc2F)c1	757409571	NVJSLEHHVGRJKA-HNNXBMFYSA-N	410.807	5.246	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C/c3ccc(Cl)nc3)c2)cc1	758487961	FCDKEQBPWGADGB-YRNVUSSQSA-N	403.869	5.032	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1	758536128	QBCSYZQQJMGEOQ-DNVJHFABSA-N	415.493	5.055	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)cc2)c1	758605037	WQEGFTXNEPMABL-UGKGYDQZSA-N	417.465	5.064	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)ccc1OC	762296131	YCSYFXDCHVXSIQ-RBBKRZOGSA-N	421.541	5.040	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C/C(=O)c2cc(Br)ncc2F)ccc1OC	762426495	PSHCSZWPDQUNHT-HOSRBBHYSA-N	408.267	5.065	30	20	HKED	
N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(Cl)c([N+](=O)[O-])c1	764302688	TVQCFWPPYMMQGG-NWDGAFQWSA-N	410.644	5.169	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2Cl)cc1/C=C1/CCc2nc(O)ccc2C1=O	769615155	PBYKQRFRNADMBS-OWBHPGMISA-N	407.901	5.136	30	20	HKED	
N#Cc1cc(NC(=O)CCCc2cccc(C(F)(F)F)c2)c(Cl)c([N+](=O)[O-])c1	770002178	JYDBTLZSDYTMNP-UHFFFAOYSA-N	411.767	5.100	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc(OC)c(OC)c1)C1CCCCC1)c1ccncc1	770279277	HMQXXGZPBVYRQR-JOCHJYFZSA-N	423.557	5.261	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ccc(N(C)C)cc2)CC1	775615041	QBKAHCLPNMLDHH-SFHVURJKSA-N	422.598	5.558	30	20	HKED	
CC(=NNc1nc2ccccc2cc1C)c1ccc(S(=O)(=O)C2CCCC2)cc1	776786455	VMHHDSDRONEJMO-UHFFFAOYSA-N	407.539	5.096	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)Cc2ccccc2CC#N)cc1Cl)c1ccccc1	777384301	UINKNEPICSIJBK-QGZVFWFLSA-N	403.913	5.760	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	777564430	GHEUFAGQUHMDPF-LJQANCHMSA-N	409.411	5.423	30	20	HKED	
C=CCC[C@@H](C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1	777705727	BOVNDNKPRIZOEI-XVAXZDLZSA-N	400.563	5.031	30	20	HKED	
Cn1nc(C(F)(F)F)c(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c1Cl	782495827	HPSIOUNTSFSXCM-LLVKDONJSA-N	403.729	5.015	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1	786529786	DCVUPUFAHIFKTI-LJEUOOAZSA-N	421.711	5.075	30	20	HKED	
C=CC[C@@H](NCc1cc(Br)c(C)c(Br)c1)c1ccncc1	790543959	MKLLTLJWKIJTGH-QGZVFWFLSA-N	410.153	5.322	30	20	HKED	
N#C[C@H](C(=O)C12CC(c3ccccc3)(C1)C2)c1nc(-c2c(F)cccc2F)cs1	791788863	VDFZPKGAFKSIBN-CGDGTSQQSA-N	406.457	5.386	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@@H](C#N)c1cnc2ccccc2n1)c1ccccc1	792100397	NFAQILKZCNDOPL-MEPUESOJSA-N	405.457	5.055	30	20	HKED	
CC(C)O[C@@H](C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1	793004853	PHHXYKXCCCIDKV-QHCPKHFHSA-N	423.538	5.051	30	20	HKED	
COc1cccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1	796755893	HTYQFYSUZACUKU-IBGZPJMESA-N	404.491	5.048	30	20	HKED	
C[C@@H](c1ccccn1)N(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(N(C)C)cc1	796907192	SZLGDBBJASJQNS-IBGZPJMESA-N	412.537	5.357	30	20	HKED	
C[C@@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	798404913	RKKPMQQBRJVUMK-WQAKAFBOSA-N	421.303	5.398	30	20	HKED	
O=C(/C=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1cnn(C2CCCC2)c1	799897042	KCPMHTKIONJGHG-JXMROGBWSA-N	414.431	5.158	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCCCC2(C#N)CCOCC2)c1	800169470	UTEXKWUWACXJJP-UHFFFAOYSA-N	424.884	5.261	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21	810238772	MWUHOLKEGJNPTJ-XZOQPEGZSA-N	403.526	5.560	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cc1ccc(Cl)cc1Br)c1ccccc1	817324508	FSHKVURXVSYQJV-GOSISDBHSA-N	405.723	5.196	30	20	HKED	
CC(=NOCC(=O)Nc1c(C)cc(C)cc1Cl)c1nc2ccccc2n1C(F)F	836977565	NERSKYKOQLPWIN-UHFFFAOYSA-N	420.847	5.081	30	20	HKED	
N#CC(CCOC(=O)Cc1cccc2cccnc12)(c1ccccc1)c1ccccc1	914889524	WDXBFFYKBRWNQD-UHFFFAOYSA-N	406.485	5.220	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1OC	916136607	XGOJSGCCDJEODO-FPLPWBNLSA-N	420.259	5.051	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916681153	PSGBQQWYUUYVSO-GAJHUEQPSA-N	403.913	6.220	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917043108	GWIJTFCLOLVFCD-GOSISDBHSA-N	420.925	5.171	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)CCC1	1791534308	RZNQNLCJTJSQJI-SFTDATJTSA-N	424.491	5.136	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1	1792171120	BDAHVRMCPQXOFQ-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
N#CCc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1	14527672	IUDIGGSEGSYDSP-UHFFFAOYSA-N	400.265	5.286	30	20	HKED	
CCOc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccccc2F)cc1	15241244	IBHOCNZIDMUEOL-MRXNPFEDSA-N	421.501	5.008	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)NCc2ccccc2)c1	22730777	OMOLNKPLXZZVGO-UHFFFAOYSA-O	403.571	5.135	30	20	HKED	
N#Cc1cccc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1	36855100	LGXSXSKECPYTQA-UHFFFAOYSA-N	416.575	5.337	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1	56745031	MLLTXBNDPDWQNH-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C	63961596	QLZFLFAVCOYWAL-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1	64714893	MLSSSSCQCLJMEA-GFCCVEGCSA-N	419.250	5.341	30	20	HKED	
C#CCOc1ccc(/C=C(/Cl)c2nc(O)c3cc(Cl)ccc3n2)cc1OCC	206132539	LNYSUCCKIWCEQD-MHWRWJLKSA-N	415.276	5.136	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)cc(OC)c1O	211851775	ISMWEHOGBHLKDF-YFHOEESVSA-N	400.377	5.060	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)oc1C	303203285	OULYKZSWNCKZHB-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1	303413836	RUDPOIRHHOAOLV-UHFFFAOYSA-N	420.340	5.211	30	20	HKED	
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(Cl)s1	426276639	GYICGAHFUZBIMI-JTQLQIEISA-N	418.893	6.168	30	20	HKED	
CC[C@@H](CN(CC)C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1	428944988	JKCDMLOQUDEFRG-FQEVSTJZSA-N	400.526	5.120	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1	432257930	LRRRVKGBHPOFDH-SFHVURJKSA-N	402.267	5.137	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(F)cc1Br	440790834	MLLJFNVXHIALTQ-JTQLQIEISA-N	411.271	5.374	30	20	HKED	
C=CCC(CC=C)c1nc(C2(c3cccc(Br)c3)CCOCC2)no1	445392274	MPJCFFYTOJFXEZ-UHFFFAOYSA-N	403.320	5.164	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCO2)n1Cc1cccs1	461504550	ABGPUAZGIVOZLE-MRXNPFEDSA-N	420.991	5.147	30	20	HKED	
CCN1CCC(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	466101558	PLICGORPNZZBDV-QFIPXVFZSA-N	424.976	5.239	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(Cl)c1F	466759390	VWGPYMQECDSFDC-ZDUSSCGKSA-N	408.951	5.745	30	20	HKED	
C[C@H](CN(C)C(=O)c1cccc(SCC#N)c1)Oc1ccc(Cl)c(Cl)c1	469515555	PBHLGHHGDHCAAU-CYBMUJFWSA-N	409.338	5.149	30	20	HKED	
O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc(Cl)cc1C(F)(F)F	473252035	BNLBVCFJQNKJFA-UHFFFAOYSA-N	414.708	5.724	30	20	HKED	
N#CC[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1	474952622	JIWKGEQGTNVPLC-DEOSSOPVSA-N	411.480	5.314	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1	476079896	MVHGYIBBXZVSSZ-NRFANRHFSA-N	422.544	5.097	30	20	HKED	
COc1cccc(F)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	481634919	BXNBVPWTZGHOPR-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c2cccnc12	482082942	QHBUAMUIRRZICS-UHFFFAOYSA-N	410.424	5.152	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)ccc21	482389349	VFCOSNCLQAIJSE-UHFFFAOYSA-N	403.526	5.079	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nccc3ccccc23)cs1	483231591	NTRIWDOPPVJSDE-HXUWFJFHSA-N	415.543	5.782	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1	483387261	XVXISBZZPIZEOG-UHFFFAOYSA-N	407.495	5.090	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2)cc1	484169493	KSLXNDVRMBTRDS-UHFFFAOYSA-N	411.461	5.079	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1)c1ccccc1	488982564	PVLFCVPPCGLAAG-OAQYLSRUSA-N	406.526	5.512	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3csc(Br)c3)o2)cc1	489747110	QXVHRIQTPFFAJI-UHFFFAOYSA-N	409.330	5.418	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4nccc(C)c4c3C)n2)cc1	489868011	XYVLNQDOYDVOBM-INIZCTEOSA-N	403.532	5.835	30	20	HKED	
N#Cc1cc(NC(=O)c2cccc(Oc3cnccn3)c2)ccc1Oc1ccccc1	490550305	POIUAINIMAORTL-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(SCc2cc(C#N)ccc2Br)o1	492078197	FGVLVXYURPYLTF-INIZCTEOSA-N	414.328	5.538	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	495115304	HRGJTGOYEUTEED-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc([C@@H]2CCCOC2)c1	499617899	RGPBYHGJBWVKTG-OAQYLSRUSA-N	413.477	5.200	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1	499838972	OOFRVRHGXHCAJD-IBGZPJMESA-N	404.341	5.220	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1cccc(Br)c1	501018748	GCHFITWBSVSYEC-UHFFFAOYSA-N	409.283	5.080	30	20	HKED	
CCCOc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	502647954	DFZOOGMHKZBJAK-UHFFFAOYSA-N	414.465	5.243	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	504441158	DQVAIOAGHCKLDQ-KRWDZBQOSA-N	402.523	5.141	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccnc1)C(C)C	506725151	OJWRDIITSVIQGL-UHFFFAOYSA-N	400.482	5.497	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cs2)cc1	506999712	IRKJAOAJCPSZNU-INIZCTEOSA-N	419.531	5.699	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC([C@H](F)c2ccccc2F)CC1	513596133	XHZNHWCXFDSPTD-FQEVSTJZSA-N	400.473	5.209	30	20	HKED	
CC(=O)N[C@@H](CC(=O)Nc1sc(-c2ccccc2)cc1C#N)c1ccc(Cl)cc1	515684188	ZWBCRQLYFFKPBW-IBGZPJMESA-N	423.925	5.146	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1-c1ccccc1	517455536	PWOSBNUIQFPCEM-SFHVURJKSA-N	401.535	5.656	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2)c1	519506103	MHVASETYXJJKNN-UHFFFAOYSA-N	423.428	5.448	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1	520624309	ZSRBEEGQOQCAJR-XDHUDOTRSA-N	417.484	5.050	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)Nc3cc(C#N)ccc3OC(F)F)c(C)c2c1	520742591	AKNUGZFTELIWLR-LBPRGKRZSA-N	415.396	5.106	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	521189675	NLLUDQAFCLWPIF-UHFFFAOYSA-N	424.504	6.057	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)cc2)cc1	521366919	UTAMPYMEEFFNMG-UHFFFAOYSA-N	413.452	5.811	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCC2CC2)cc1	521735063	XMAMCDXHSRRQKG-UHFFFAOYSA-N	420.456	5.752	30	20	HKED	
N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)n1	522727337	GKWZQPAMTZPHEW-MSUUIHNZSA-N	423.476	5.067	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H](C)c1cccc(O)c1	522845026	XFROVXIOOXNLSD-QGZVFWFLSA-N	401.466	5.671	30	20	HKED	
N#Cc1ccsc1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12	523307247	MTGNVQSLTIAEDL-KRWDZBQOSA-N	405.910	5.316	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3ccccc3O)cc2Cl)c1	524405769	FSVQMVYPENEVOD-UHFFFAOYSA-N	406.869	5.068	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CCc3cc(F)ccc32)cc1OCC	524680713	RVDODAMBFGBKAU-LJQANCHMSA-N	420.322	5.329	30	20	HKED	
C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccc(F)cc2)O1	525093167	WUVIEYVHVVXPRG-MZNJEOGPSA-N	416.452	5.092	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)c2ccc(F)c(F)c2)cc1	525143751	AXHWPPSWDKABKX-CQSZACIVSA-N	408.404	5.380	30	20	HKED	
CCN(C(=O)c1sc2cccc(F)c2c1COC)c1ccc(C#N)c(Cl)c1	535874347	BHKYEMQMPUUKCI-UHFFFAOYSA-N	402.878	5.379	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C1CC1	536325436	QRLCZUBHKPZYOJ-HNNXBMFYSA-N	418.472	5.787	30	20	HKED	
C=CCN(C(=O)CCCc1ccc2ccccc2c1)c1nc(C(=O)OCC)cs1	539521389	WFBJLYBRDXVIKH-UHFFFAOYSA-N	408.523	5.015	30	20	HKED	
C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	541155968	HCQHRLSYLPUOQV-KBMIEXCESA-N	411.505	5.069	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	542020080	XGBSFJUEAXQNTG-UHFFFAOYSA-N	423.863	5.188	30	20	HKED	
C[C@H](NC(=O)c1sccc1Br)c1ccc(-c2cccc(C#N)c2)cc1	542930299	NAKPDYREIZFSQC-ZDUSSCGKSA-N	411.324	5.540	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	543473738	MDZVDAGDQONHGO-WBVHZDCISA-N	404.539	5.154	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	551038984	WJMIHGSFTCUZCC-KRWDZBQOSA-N	421.328	5.027	30	20	HKED	
CC(C)c1ccc([C@H](C)CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1	552690538	XQGDHQJZJUGWLS-GOSISDBHSA-N	408.517	5.384	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1)C(F)(F)F	556067397	PQTTXNSAYYPNMS-AWEZNQCLSA-N	421.369	5.761	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1ccccc1	559823220	RQJGRZWMSLUWIJ-KRWDZBQOSA-N	420.944	5.623	30	20	HKED	
COc1cc([C@@H](C)NC2CCN(c3ccc(C#N)cc3)CC2)ccc1OC1CCCC1	560514720	RBPRKQBWFZZXFD-LJQANCHMSA-N	419.569	5.208	30	20	HKED	
Cc1nnc(-c2ccccc2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1	563742610	DJYWBRHRNDVBNQ-MRXNPFEDSA-N	408.461	5.075	30	20	HKED	
Cc1nc(COc2c(Br)cccc2CC#N)oc1-c1ccc(Cl)cc1	564398009	XSNXLWVQVPPAQG-UHFFFAOYSA-N	417.690	5.711	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)C[C@@H](CC#N)c1ccccc1	571838145	ISYYKLZFROJYEP-LJQANCHMSA-N	418.518	5.536	30	20	HKED	
CSC[C@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(C)cc1	577478457	LSNVXXOJUKLMMG-QHCPKHFHSA-N	421.591	5.090	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1	582691859	YJCGQXPORNMPOS-RDTXWAMCSA-N	417.387	5.391	30	20	HKED	
Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)c1	603504679	FRXJUJKGQMEOEF-SFHVURJKSA-N	420.538	5.089	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC4(CCCCC4)CC3)c2)c1	608840747	BVCMLMNMSJXACR-UHFFFAOYSA-N	416.525	5.389	30	20	HKED	
Cc1ccc(Br)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609058043	SVKJOIFJTQFPEI-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)CCCCOc3cccc(C#N)c3)oc12	609497731	DLMUJSWLWSIOJY-KRWDZBQOSA-N	406.482	5.130	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	609518709	ODRBIIQQRIRYBF-UHFFFAOYSA-N	405.523	5.229	30	20	HKED	
Cc1cccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C	609682782	BYLYWMRESHIHLE-SFHVURJKSA-N	412.493	5.310	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(F)c1	609693647	BPEBCOZMVVUTSD-GOSISDBHSA-N	402.469	5.603	30	20	HKED	
N#Cc1ccc([C@H](Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)C(N)=O)cc1	610088036	QKMLYIRHQPJETC-FQEVSTJZSA-N	411.383	5.008	30	20	HKED	
Cc1cccc(Oc2cc(CNCc3cccc(OCCCC#N)c3)ccn2)c1C	610272163	FGIJXWFVPLUXPM-UHFFFAOYSA-N	401.510	5.463	30	20	HKED	
Cc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)n[nH]c1C(F)(F)F	610489898	BPYKESWYJXZAFL-UHFFFAOYSA-N	402.401	5.012	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613319481	FSNOGAOGGKYTKM-INIZCTEOSA-N	412.946	5.522	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	613402650	FIVFETNDNYZGFJ-LLVKDONJSA-N	415.952	5.933	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	616139864	BQOZUSFUYAANHF-SFHVURJKSA-N	407.539	5.181	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3coc(C4CCC4)n3)cc2Cl)c1	618092456	XVSGDJXSWQMTFF-UHFFFAOYSA-N	407.857	5.298	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1Cl	619803084	VSMKKYXJBUFZRY-UHFFFAOYSA-N	415.774	5.004	30	20	HKED	
CC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	642281552	JECVECCMWCMQLQ-LBPRGKRZSA-N	421.330	5.871	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](c2ccccc2)C1	669807195	IBJPXBIKZPJCRF-LAUBAEHRSA-N	424.545	5.038	30	20	HKED	
N#C[C@@H](C(=O)c1coc2cc(F)ccc12)c1nc2cc(C(F)(F)F)ccc2s1	684631111	LSRCZILUPAXSFX-LBPRGKRZSA-N	404.344	5.690	30	20	HKED	
C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCC(F)(F)F)cc1	726478860	NRKUYQCJXASBCJ-NSHDSACASA-N	413.852	5.200	30	20	HKED	
C#Cc1cccc(N(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)C(C)C)c1	728246684	FETUFJHZWVFXGQ-UHFFFAOYSA-N	420.509	5.484	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNCCCc2ccccc2)cs1	729145628	WEDIPMRGIXZCTQ-UHFFFAOYSA-N	412.946	5.037	30	20	HKED	
N#Cc1cccc(CNC(=O)c2sc3cc(Br)ccc3c2Cl)c1	729827205	AQKQWDPYAXJVEU-UHFFFAOYSA-N	405.704	5.119	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1ccc2ccccc2n1	730071125	GXUAVYQUJIJFHE-CLOONOSVSA-N	412.489	6.084	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	730072632	ZDJRSGLANMWWHI-DEOSSOPVSA-N	406.485	5.541	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(-c2ccccc2)cs1	730688519	XXRYZAVWDYBPRN-OAHLLOKOSA-N	423.950	5.882	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1Cl	731491938	DMYCZWUSSGZTJV-IBGZPJMESA-N	420.365	5.007	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)nc(N4CCCC4)c3)n2)cc1	733052478	KLLIVSYCLDOTMI-QGZVFWFLSA-N	422.941	5.257	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc2)n1	733258782	LGVNVTKNEZIONA-SFHVURJKSA-N	413.955	5.392	30	20	HKED	
N#CCOc1ccc(COC(=O)c2ccccc2Cc2nc3ccccc3s2)cc1	733401204	QKACPSPSEKQWPT-UHFFFAOYSA-N	414.486	5.146	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(F)c(Br)c2)c(SC)cc1OC	741166172	XWNDVMWDMTUKKM-ALCCZGGFSA-N	411.292	5.223	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3cc(C#N)ccc3C2=O)cs1	742436997	IAKUZZPOAAUQPQ-GZTJUZNOSA-N	417.465	5.051	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1nc(-c2c(F)cccc2F)cs1	744074220	JTBHXFQEVAQHLU-QEEIZYTISA-N	420.484	5.559	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	744410987	FEOWPMPJFRXXOF-QKNQBKEWSA-N	403.551	5.049	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c2c1	745948057	URSGZYRBNVZUJV-LJQANCHMSA-N	419.937	6.062	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)c(Br)cc1O	745990148	LUULKMZWGAUEGZ-VOTSOKGWSA-N	410.267	5.121	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)cc1OCCCC#N	747361473	OVQNBJYTHPMIJE-ZSOIEALJSA-N	418.537	5.654	30	20	HKED	
COc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	748532483	YYKOQFVSMCPQKA-GOSISDBHSA-N	424.501	5.209	30	20	HKED	
Cc1nc(SCC(=O)Oc2ccc(Sc3ccncc3)cc2)c(C#N)c(C)c1C	749526981	KZLRSIVQMIGQAJ-UHFFFAOYSA-N	421.547	5.122	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1F	752487167	HKKDABKOJMENIM-RISCZKNCSA-N	418.415	5.737	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	753140332	AOUXFCHRCFVVMZ-WAYWQWQTSA-N	419.487	5.738	30	20	HKED	
COc1ccc(C(F)(F)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	755603081	BKEHRTDVJAALBF-UHFFFAOYSA-N	422.431	5.071	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)C1CCCCC1	756503476	ZLNXFBAOIFNCTD-UHFFFAOYSA-N	401.963	5.249	30	20	HKED	
CCN(CCC#N)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12	764517866	VWUKEKRUSZITGB-UHFFFAOYSA-N	408.299	5.040	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)C1	766636932	IQZOMYGESXKGAQ-BPQIPLTHSA-N	402.535	5.767	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(F)cc3)c2)cc1NC(C)=O	766688014	IKLAKRQSQFHSLB-XYOKQWHBSA-N	419.452	5.268	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)cc1	766843886	MTCAINUFAQXESP-HRCADAONSA-N	423.419	5.079	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@@H](c2c(F)cccc2F)C1	769232399	OBWYHZDWTDVUSA-LLVKDONJSA-N	420.328	5.640	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12	769544155	PTWPOJGERAQAHO-MRXNPFEDSA-N	423.900	5.091	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1	770576914	QLJLFPKGQNHXRY-SONOPUAISA-N	404.535	5.038	30	20	HKED	
Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2C#N)c(C)n1[C@@H](C)c1ccccc1	775082176	GRNARDUJLQGVDX-KQDNUWKFSA-N	412.489	5.025	30	20	HKED	
Cc1cc(O)nc(-c2cccc(OC(=O)c3ccccc3Oc3ccccc3C#N)c2)n1	778312097	HBNFMNIFBXDTBH-UHFFFAOYSA-N	423.428	5.041	30	20	HKED	
C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1	778416498	JPOVRESTPOMOKN-JOCHJYFZSA-N	420.534	5.539	30	20	HKED	
COC(=O)Nc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1F	782974607	WFFCRKVFLMHXOX-UHFFFAOYSA-N	405.429	5.067	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c2ccccc21	786354341	HHRPFEYGVJTTGL-DZFGPLHGSA-N	401.535	5.699	30	20	HKED	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2nc(O)oc2c1	794715980	OPFHJFAIUITRML-DAFODLJHSA-N	401.262	5.467	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1cccc(CC(C)C)c1	796788614	KFLNEEPZWUYURO-JPYJTQIMSA-N	404.554	5.461	30	20	HKED	
CC(C)[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccnc1	797943769	WKMJRFGIJHZTSH-YOEHRIQHSA-N	403.429	5.326	30	20	HKED	
CC1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCN(Cc2ccccc2)CC1	805860132	ZLBLUAFOZLLKFW-SFHVURJKSA-N	423.969	5.428	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1	806401447	QTEABFPRTMYUDL-ORAYPTAESA-N	419.403	5.149	30	20	HKED	
COc1cc(C(C)=NNc2nnc(-c3ccccc3)s2)ccc1SC(F)F	814948852	IIBQVUAVYCBAKJ-UHFFFAOYSA-N	406.483	5.365	30	20	HKED	
O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1Br	916140421	SVAOBBBFUDDLGH-YVMONPNESA-N	411.049	5.016	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3ccco3)sc2C)cc1	916951680	ZUELGPWUCDBLRB-SUMWQHHRSA-N	407.495	5.186	30	20	HKED	
Cc1ccc(OCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C	916975481	CWSNATYKRQFZKD-LJQANCHMSA-N	410.926	5.726	30	20	HKED	
C=CCn1c(COc2ccccc2F)nn(CN(C2CCCCC2)C2CC2)c1=S	917429272	MSHUSZKLWDHGIO-UHFFFAOYSA-N	416.566	5.073	30	20	HKED	
COc1ccccc1NC(=S)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	917600183	LVCCJQNVSVKAKR-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
N#Cc1ccc(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1	917935129	RBRHXVOOVYRINX-OAQYLSRUSA-N	409.411	5.047	30	20	HKED	
CC(C)c1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920142391	PAOWBOCESYDCSM-HXUWFJFHSA-N	417.559	5.774	30	20	HKED	
CCn1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cn1	920991812	OUPKIUDCARBNPW-TWGQIWQCSA-N	414.292	5.358	30	20	HKED	
CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)CCCC1	1790705137	LDKPGCBQZHOPTA-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1	1819556875	PMWSDTJYRVYYEM-CYFREDJKSA-N	412.578	5.141	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1824140694	DDKFHAZIOJLIAJ-NRFANRHFSA-N	414.615	5.058	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1829071303	SJXVKAYXMWMZPZ-ATIYNZHBSA-N	414.634	5.345	30	20	HKED	
COc1ccccc1-n1c(SCc2ccc(C#N)cc2F)nnc1-c1cccs1	9967507	ZTRQTSXYHMVGDC-UHFFFAOYSA-N	422.510	5.307	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1	11065811	ZQHDHNUSAMUQDJ-UHFFFAOYSA-N	414.893	5.148	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2cccs2)n1)c1nc(-c2ccccc2)cs1	17365231	ZTRMOVSBKKQAKN-UHFFFAOYSA-N	423.588	5.757	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1C(F)(F)F	46532963	OFUREMZSRXWYFE-UHFFFAOYSA-N	409.301	5.375	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccccc2CN(C)C2CCCCC2)c(OC)c1	46539387	KMLLSIYCQOZXBO-UHFFFAOYSA-N	422.569	5.206	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	56764938	KSIQWXXSYMXSFZ-UHFFFAOYSA-N	415.902	5.467	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	60477602	FMEPLXPVPOECCP-OAHLLOKOSA-N	422.815	5.852	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1F	216103921	YLDHBHJECSIBJY-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CNCc1cccc(OCc2cccc(C#N)c2)c1	237858698	WJUGPPVDBXBGKP-UHFFFAOYSA-N	422.532	5.230	30	20	HKED	
CC(C)n1c([C@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)nc2ccccc21	301331823	LWDOFDHKYWFMFE-INIZCTEOSA-N	413.447	5.287	30	20	HKED	
N#CC1(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCOCC1	303745270	ZNFVZGZWGIKZSU-UHFFFAOYSA-N	421.349	5.088	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cccc(OC(F)F)c1	409924237	OHUIJZYTBFMMAM-UHFFFAOYSA-N	422.431	5.228	30	20	HKED	
COc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1	430600081	WYTCCTFQJJBOJS-LJQANCHMSA-N	418.518	5.170	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1OCCc2sccc21	432805173	NHWLNOJDHCYALY-QRQCRPRQSA-N	404.491	5.301	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433649179	LVNMVYNBPQTMNB-OAHLLOKOSA-N	408.317	5.131	30	20	HKED	
C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(OCc2ccccc2)c1	434029743	DPDUDRKROYAZPK-GOSISDBHSA-N	402.519	5.372	30	20	HKED	
Cc1c(-c2ccccc2)sc(NC(=O)N(C)[C@@H](C)CC#N)c1C(=O)N1CCCCC1	434118743	KKMFOWSBHNPJAW-INIZCTEOSA-N	424.570	5.116	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1nc(-c2ccccc2)cs1	435699176	WPXOBVBPTSUVHC-UHFFFAOYSA-N	420.563	5.459	30	20	HKED	
Cc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)c1ccccc1	436359500	KNAAYSHLVPJFFU-NOZRDPDXSA-N	423.516	5.159	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(C2CCCCC2)no1	438064294	JIFMBQTWWMABND-CABCVRRESA-N	413.547	5.252	30	20	HKED	
COc1ccccc1Oc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1	439554895	YVZBVUGVQQJDRA-LJQANCHMSA-N	415.493	5.235	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1nc(COC)sc1-c1ccccc1)c1ccccc1	441006089	DXLIDQINKGFTOR-FQEVSTJZSA-N	421.566	5.463	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(CCC(F)(F)F)c1	441106672	YYWZTBNKEXGZKT-PMACEKPBSA-N	401.432	5.485	30	20	HKED	
Cc1cc(F)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	442668743	FMCDGYFHHNZSJF-OAHLLOKOSA-N	405.281	6.055	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2COCc2ccccc2)c2ccccc21	444041668	CWMURMMNOTXGOU-UHFFFAOYSA-N	423.516	5.914	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	446487480	BFXRWYRRQMBBJK-ZYHUDNBSSA-N	422.316	5.168	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	446895869	GFTUJWQPCNTFEG-PCCBWWKXSA-N	415.459	5.470	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)C[C@H](C)c2c[nH]c3ccccc23)c1C#N	447130140	XSYMSEFHCKVZDW-HNNXBMFYSA-N	415.522	5.079	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]1c1cccs1	460950642	GUKKMPPMHRDIMG-GOSISDBHSA-N	424.570	5.235	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1	464046191	VUQHCRQBIUHOSM-UHFFFAOYSA-N	415.443	5.234	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)on2)c1	469493886	LPDJXKSZFPETEJ-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1	470060761	ZPINCGIJGSKXGS-GOTSBHOMSA-N	415.497	5.161	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](c2ccsc2)O1	470760782	SLCDIKXHJPSWGV-UZUQRXQVSA-N	418.518	5.209	30	20	HKED	
Cc1cccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	471203291	QYNKCJYWDOYRED-NRFANRHFSA-N	404.901	5.063	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	475576655	ASOIWEVLTOHCGO-NZQKXSOJSA-N	405.586	5.713	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC	475581141	DXOTWMJZKDFCNU-JOCHJYFZSA-N	408.542	5.925	30	20	HKED	
C=C(C)[C@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc(F)c(F)c1	475698089	ZANASFLVACXUPJ-QFIPXVFZSA-N	423.419	5.127	30	20	HKED	
C=C(C)Cn1c(SCC(=O)c2csc3ccccc23)nnc1-c1ccncc1	475884026	SXKMZRBCRLGIQZ-UHFFFAOYSA-N	406.536	5.106	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1	479689364	SNFVYZICOQUFGB-ZDUSSCGKSA-N	408.365	5.241	30	20	HKED	
CCc1ccc([C@@H]2CN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CCO2)cc1	484156339	GZGXFNVWEMLEHO-UWJYYQICSA-N	409.555	5.106	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	484251241	FFWBSHYZKUNNFY-UHFFFAOYSA-N	409.392	5.087	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1	485755644	VMMUBURDSNZPDX-UHFFFAOYSA-N	402.947	5.256	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1	486240905	RKTPMVKLZGDDCU-UHFFFAOYSA-N	423.925	5.518	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Nc3ccc(O)c(Cl)c3)c2)cc1	486247638	YUFRVJWIEKKNGJ-UHFFFAOYSA-N	407.857	5.335	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](CCCC#N)c3ccccc3)c12	487262958	CNGBLOJNFJZGQQ-LJQANCHMSA-N	402.498	5.218	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1	487595829	IYQZJMZZIAFZKZ-UHFFFAOYSA-N	412.371	5.059	30	20	HKED	
Cc1cccc(NC(=O)[C@H](Sc2nc(C(F)(F)F)ccc2C#N)C(C)C)c1C	488782499	LFEOJMHOFUAROW-QGZVFWFLSA-N	407.461	5.344	30	20	HKED	
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1OCCCC#N	494104549	DSGBEVBCBWCLBD-SAPNQHFASA-N	414.461	5.111	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCO[C@@H]1CCCc2ccccc21	497420473	XEZAWIFJKPPINK-XMMPIXPASA-N	424.589	5.036	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c3c(C)noc3n2)cc1	498024993	FIYRIYMXKFORSM-KRWDZBQOSA-N	416.506	5.577	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)c1ccccc1	498253522	RAIIKZNOGJCGLL-NHCUHLMSSA-N	416.468	5.078	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1	498732187	AVJVCJDTXAKBSH-IFXJQAMLSA-N	413.930	5.483	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1	499467378	BCRYQQTVVMSKFC-AWEZNQCLSA-N	406.473	6.128	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2Br)cc1C(F)(F)F	499521111	VHAKKKFARDGNSC-UHFFFAOYSA-N	415.234	5.070	30	20	HKED	
CC(C)OCc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	501154729	LGLGYHQJDNHANM-UHFFFAOYSA-N	402.519	5.887	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1	501641550	RFHKYZXNRFRBPJ-UHFFFAOYSA-N	405.457	6.010	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Cl)cc3Br)CC2)cc1	502658134	FOUOQDJRXSECJB-UHFFFAOYSA-N	416.706	5.295	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccccc1	504908157	IYGRRLRZMDUUSP-MRXNPFEDSA-N	411.811	5.448	30	20	HKED	
CCSc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	505736874	UEKHAPUCSNCETP-UHFFFAOYSA-N	404.560	6.215	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCC(OC(F)F)CC1	511890604	OGXICYBRKAWJKB-UHFFFAOYSA-N	422.419	5.448	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1	511893563	ZFBIRKDDSAOZNW-MNOVXSKESA-N	410.383	5.628	30	20	HKED	
CC(C)OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	512495298	XFCQEYRSEHIVFZ-FQEVSTJZSA-N	401.491	5.097	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2SCCC#N)c1	518648661	ZGZBKMZCLKETRI-UHFFFAOYSA-N	416.546	5.761	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	518754522	PYIAXEKEZMFZRS-HTAPYJJXSA-N	418.566	6.321	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1	518838612	WWATUAGPQVJSOH-UHFFFAOYSA-N	411.531	5.074	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	518893179	GSTIYBSCQJKXDT-UHFFFAOYSA-N	417.431	5.472	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)S[C@@H](C)c1ccc(Cl)cc1	520116052	FXFUIBPZISJRAV-HOTGVXAUSA-N	402.947	5.478	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2)c1	520197745	NJGSERKSRVERGG-QHCPKHFHSA-N	401.441	5.859	30	20	HKED	
CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1	522672257	DDIDSWRSYCBBFJ-HNNXBMFYSA-N	407.495	5.086	30	20	HKED	
CS[C@H]1CCC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1	522704599	IGMWOHLKPREILP-YADHBBJMSA-N	411.546	5.083	30	20	HKED	
Cc1cccc(-c2nnc(S[C@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)c1	522822781	ROALBSYMYBGHCS-QGZVFWFLSA-N	400.507	5.620	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccc3ccccc3n2)c1	523881866	WIWVPUWQZNRCSP-UHFFFAOYSA-N	413.864	5.482	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)cc2Cl)c1	524392971	IDBKHPHUGGTAIS-DFNIBXOVSA-N	422.912	5.125	30	20	HKED	
Cc1nc2ccccc2n1Cc1cc(NC(=O)Cc2cccc(C#N)c2)ccc1Cl	530915229	WSOHUXYPHKPEJB-UHFFFAOYSA-N	414.896	5.099	30	20	HKED	
N#CCCn1cc(CNc2cccc(OCC(F)(F)F)c2)c(-c2ccccc2)n1	533211241	VGULKAATDKXTTF-UHFFFAOYSA-N	400.404	5.017	30	20	HKED	
CC(C)Cn1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)F)n1	535642938	UQYXARALJMIGSN-UHFFFAOYSA-N	410.424	5.393	30	20	HKED	
COc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1OCCCC#N	537385765	PGDWTQMBWMDXKE-IBGZPJMESA-N	400.906	5.035	30	20	HKED	
C=CCN(C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C)C1CC1	537926299	PJXYLNLZNVZWRR-UHFFFAOYSA-N	417.431	5.448	30	20	HKED	
Cc1cc(C)cc(-n2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2C)c1	538580017	JBJZWFXQUSPJIA-QGZVFWFLSA-N	419.435	5.032	30	20	HKED	
CC1CCN(CCc2cccc(NC(=O)N[C@H](CCC#N)c3ccccc3)c2)CC1	538774110	UHMKRCXYAFIUKQ-XMMPIXPASA-N	404.558	5.128	30	20	HKED	
N#Cc1ccsc1NC(=O)CN[C@H](c1ccccc1)[C@H]1CCCc2ccccc21	539333147	WERZJXBWMVWTLP-JTHBVZDNSA-N	401.535	5.009	30	20	HKED	
C=CCC[C@H](NCc1noc(Cc2ccccc2)n1)c1ccc(C(F)(F)F)cc1	539335099	VGWSEXYAEPRWBG-IBGZPJMESA-N	401.432	5.476	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N	539754861	LNEOQLMPBHHAPI-OLZOCXBDSA-N	424.492	5.056	30	20	HKED	
CN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	540640919	RFAISPWNZKWSKS-UXHICEINSA-N	401.432	5.571	30	20	HKED	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	542066785	DPKOFPKKYKCEDU-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C[C@@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(-c2cccc(C#N)c2)cc1	542928256	IBJYDTXDBLWNAF-QGZVFWFLSA-N	414.509	5.076	30	20	HKED	
FC(F)(F)c1cc([C@@H](NC[C@@H]2CCCOC2)C(F)(F)F)cc(C(F)(F)F)c1	543052621	NNCCBJSADCNWMG-TVQRCGJNSA-N	409.292	5.344	30	20	HKED	
N#CCCn1ncc(C(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)c1-c1ccccc1	553367641	VXJNEGGKRFBXLE-ZEQRLZLVSA-N	424.548	5.090	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	562044473	FCCFOESMQMWZEO-HXUWFJFHSA-N	420.538	5.229	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H](C)Cc1ccsc1	562108201	ACUCOSBOMIOFEX-INIZCTEOSA-N	406.511	5.292	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c(F)c1	563701977	FFEDLLDTNDMFKK-UHFFFAOYSA-N	416.452	5.173	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1ccc(F)cc1F	565382170	NWCAORVDPFITJQ-UHFFFAOYSA-N	407.420	5.301	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@@H]3c3ccccc3)c2)c1	568811956	KNBVMQDNZUVICM-XMMPIXPASA-N	424.504	5.570	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)Cc2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1	589146521	FLHXUNKRHOZPLF-FXAWDEMLSA-N	402.498	5.004	30	20	HKED	
N#Cc1c(F)cccc1/C=C(/CC(=O)O)c1nc2cc(C(F)(F)F)ccc2s1	589554633	AAZVWXJLEOQQDD-WDZFZDKYSA-N	406.360	5.341	30	20	HKED	
N#C[C@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1ccc(C(F)(F)F)cn1	591861982	GVMBDMSFBUSMHT-LBPRGKRZSA-N	409.289	5.157	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)CC1	592076536	CLSGXMMSRVQXIM-UHFFFAOYSA-N	415.537	5.087	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)c2C#N)C1	602754429	DSOSPBMONKTEAJ-CYBMUJFWSA-N	410.470	5.308	30	20	HKED	
O=C(CSCc1ccc(F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	603573278	ZRQUELUVSUDBJL-VXGBXAGGSA-N	417.390	5.085	30	20	HKED	
CCN(C(=O)CCc1ccc(Br)cc1F)[C@@H](C)c1ccc(C#N)cc1	604486334	UJASBYSQWJEPEK-AWEZNQCLSA-N	403.295	5.002	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(Oc2ccccc2)c1	604495739	VDPJDGMEWYUCAN-UHFFFAOYSA-N	414.509	5.113	30	20	HKED	
C=CCN(C(=O)C[C@@H](C)c1ccc(C(C)C)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1	606196921	VVBLBEOSZXMGRL-UXHICEINSA-N	417.557	5.055	30	20	HKED	
Cc1nn(-c2ccccc2)cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	608804748	GZJHQLURUWXVIO-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(F)ccc1Oc1ccccc1	609022980	XTYFZFGKGOTVTO-UHFFFAOYSA-N	420.440	5.296	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cnc21	609497987	CPEMBSRPMVIRAN-UHFFFAOYSA-N	411.465	5.123	30	20	HKED	
Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	609601046	MREDPQPNQGGJSQ-JOCHJYFZSA-N	412.493	5.293	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1ccncc1	610044377	MYBYVWFGKSTLLP-QGZVFWFLSA-N	403.507	5.165	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccoc3)C3CCCCC3)o2)cc1	610180387	FJGYDXFOGPMJDJ-UHFFFAOYSA-N	404.466	5.298	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1)c1ccccc1	611146144	DSJNTFOIUSPOKM-SQJMNOBHSA-N	419.565	5.322	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@@H](C#N)c3nc4ccccc4o3)o2)cc1	614439677	CVQQCPHIDAOZHL-HXUWFJFHSA-N	419.440	5.948	30	20	HKED	
C=CCN(C(=O)c1cccc(C(=O)N(CC=C)c2ccccc2)c1O)c1ccccc1	647741848	MHJJEXXFCKARKA-UHFFFAOYSA-N	412.489	5.058	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1csc(Cc2ccc(Cl)cc2)n1	725791166	JSWSMBDWCXUSAB-UHFFFAOYSA-N	408.857	5.539	30	20	HKED	
N#Cc1ccc(F)c(COC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1	725969646	MPESYBMTZXNNNK-UHFFFAOYSA-N	420.387	5.126	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(OC(=O)c3ccccc3SCC#N)cc2)cc1	726959170	TWJIZFOBBXCGBQ-UHFFFAOYSA-N	402.475	5.082	30	20	HKED	
N#Cc1ccccc1NC(=S)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@H]21	727702279	ALIHBVBJSQSRNO-RVHYNSKXSA-N	401.539	5.137	30	20	HKED	
O=C(/C=C\c1cccnc1Cl)c1ccc(Br)cc1Br	728695203	SBVQUEUGNZMTQH-UTCJRWHESA-N	401.485	5.156	30	20	HKED	
C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccccc1-c1ccccc1	729769918	YAZWNPRLHAWDRE-GOSISDBHSA-N	423.472	5.016	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)[C@H](Oc1ccccc1)c1ccccc1	735344255	GKLDTGQVTQNTLU-JOCHJYFZSA-N	407.853	5.106	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)NC(c2cccs2)c2cccs2)cc1OC	737610317	CYSVUJDHFFGHPF-PKNBQFBNSA-N	411.548	5.302	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	739143601	RQXWGNVMNXMFHS-FZKQIMNGSA-N	412.411	5.266	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	739160807	NBKUVJZYTGWDEU-OCCSQVGLSA-N	400.425	5.282	30	20	HKED	
Cn1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)c(-c2cc3ccccc3o2)n1	740011224	LCSZZEQDRMIWBN-UHFFFAOYSA-N	424.529	5.723	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(-n2cccn2)cc1	743095832	MPTRVPOOCYHBJT-KBMIEXCESA-N	421.504	5.410	30	20	HKED	
C#CCCN1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1	743490522	QVCBDQWFZUOCTD-UHFFFAOYSA-N	417.336	5.003	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc1	744027896	DVBFALWUHOWVOC-RXXLQFRUSA-N	400.400	5.019	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	745949817	BPNLLWNTGSWCBM-ZBFHGGJFSA-N	412.461	5.370	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2coc3ccccc23)cs1	747706455	WQCFDYWDHHZQPF-FLIBITNWSA-N	406.438	5.609	30	20	HKED	
N#Cc1ccccc1CN(C(=S)Nc1cccc(C(F)(F)F)c1)C1CCCC1	747706929	SRTKTUUXTFGVSA-UHFFFAOYSA-N	403.473	5.719	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	750693844	ZXBQGBZLUAVVNW-YWZLYKJASA-N	401.491	5.060	30	20	HKED	
CC(=NNc1nc(-c2ccncc2)no1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750944912	CBVSMYXNNZCMEZ-UHFFFAOYSA-N	415.297	5.005	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cnccc2-c2cccc(F)c2)cc1OC	753274173	RJUFOFPCTQMGFH-NTMALXAHSA-N	404.441	5.113	30	20	HKED	
N#CC1CCC(COC(=O)c2csc(-c3cc(Br)cs3)n2)CC1	755978173	ZCZNACKDGGDWIT-UHFFFAOYSA-N	411.346	5.121	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	760196309	OIVJTVAIIKITFK-HXUWFJFHSA-N	418.518	5.438	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NCc2ccco2)cc1	763799549	BNUDXMOLKPJQJC-DEOSSOPVSA-N	407.473	5.799	30	20	HKED	
CCN(CCC#N)C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1	764517224	JZDGHIMUBAKKBO-UHFFFAOYSA-N	413.477	5.107	30	20	HKED	
CCCCCCCS(=O)(=O)[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1	764744805	PULGZGGDCJWBNL-ZDUSSCGKSA-N	404.454	5.202	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN[C@@H](c2ccccc2)C(C)(C)C)c1=S	764890522	NJVPPOPVGAPNQP-FQEVSTJZSA-N	407.587	5.387	30	20	HKED	
C=C(C)COc1cc(CNc2ccc(N3CCCC3=O)c(Cl)c2)ccc1OC	770484927	KHDSCGVRMDRPQR-UHFFFAOYSA-N	400.906	5.042	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1	770611762	NTVVSMSGUIJMNY-XUZZJYLKSA-N	411.505	5.229	30	20	HKED	
N#C[C@@H](COC(=O)c1ccccc1SCc1cscn1)Cc1cccs1	772738291	WXHZRMRVIWUXCP-AWEZNQCLSA-N	400.550	5.036	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccccc1	777290240	FKSQZFANUMTYJT-UGKGYDQZSA-N	415.493	5.067	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NN[C@H](Cc2ccccc2)C(C)C)cs1	777446981	BMKQGFFJSSPRHS-JOCHJYFZSA-N	406.555	5.019	30	20	HKED	
C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1)c1ccccc1	778426826	CDUHDXWPKHNUOE-OAQYLSRUSA-N	406.507	5.231	30	20	HKED	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	782774990	XELZZBFKYYWRNA-SFHVURJKSA-N	410.587	5.589	30	20	HKED	
Cc1cccc2cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)oc12	787049400	GOVYWVYEXCHUAP-MLGOLLRUSA-N	415.276	5.248	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1cnc2ccccc2n1	792101711	CBSRSQNYXIZFQY-CYFREDJKSA-N	413.477	5.479	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C[C@H](CC#N)c2ccccc2)C1	793512408	KYOYHPHQISDFNI-IBGZPJMESA-N	419.525	5.006	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cc(F)cc(C#N)c1	796795557	FCKHYERXIILTEY-GOSISDBHSA-N	423.900	5.628	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1	806209882	GMJKFVBLGANSSO-INIZCTEOSA-N	403.404	5.019	30	20	HKED	
C#C[C@@H](NCc1csc(COc2ccc(C)cc2)n1)c1ccc(Cl)cc1F	809698659	FKXGLAXDACODBS-HXUWFJFHSA-N	400.906	5.287	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3cnn(Cc4ccccc4)c3Cl)cc2)ccn1	810167028	WFJIZNBABLJGJD-UHFFFAOYSA-N	415.884	5.256	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(O)Cc1ccc(F)cc1	901374026	CCUXSKCITSJHGG-CYBMUJFWSA-N	420.893	5.174	30	20	HKED	
Cc1cc(C#N)cc(C)c1Cc1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	904505362	OVJFHRTYBMMRPI-UHFFFAOYSA-N	400.413	5.142	30	20	HKED	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccccc2)cs1	916246043	VVABYNVJXJCRHV-UHFFFAOYSA-N	404.417	5.293	30	20	HKED	
COc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Cl	917045950	DNUUNLAQURDDGO-ZDUSSCGKSA-N	405.306	5.421	30	20	HKED	
N#CCOc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	920004429	JWFFAFVHVSKPDC-OAQYLSRUSA-N	411.288	5.415	30	20	HKED	
CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	921118335	KYMJPLZJQJKAHK-UHFFFAOYSA-N	423.476	5.200	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(OCC(F)(F)F)cc2)S1	921259309	MXPGJTKYRUQSQB-YBEGLDIGSA-N	406.429	5.136	30	20	HKED	
N#Cc1ccc(CN(Cc2ccc(F)c(Cl)c2)c2ccc3nc(O)[nH]c3c2)cc1	1473241208	VJEXUVLVBKBDRA-UHFFFAOYSA-N	406.848	5.139	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc[nH]3)cc2)CCC1	1788188402	UKFZDFJDUJIDSG-UHFFFAOYSA-N	407.558	5.074	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCn3cccc3)CCC2)cc1	1789458123	LYPMUSIKSXPHKZ-HSZRJFAPSA-N	419.569	5.171	30	20	HKED	
C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1	1790267190	HORKBDFDYRZCRY-LBPRGKRZSA-N	423.365	5.059	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)C[C@@H]4C)cc3)CCC2)c1	1790425229	DQJICGDDCAIMQX-UZEJHQAJSA-N	415.537	5.107	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1	1814443813	ASNGAXADRUCWMM-LJQANCHMSA-N	400.567	5.141	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)o2)c1	22283967	UCCRCTUZOSQDJU-GOSISDBHSA-N	420.538	5.089	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)o1	23426726	AHDPRRWLGSMYIU-CYBMUJFWSA-N	419.959	5.147	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCSc2ccc(F)cc21	58304472	LPWUZLOTUDEZER-LJQANCHMSA-N	420.534	5.815	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	64896778	JTPAAOHHDOTOKK-UHFFFAOYSA-N	419.915	5.262	30	20	HKED	
CCOc1ccc(CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	65646576	MURQLPRYQINWDA-UHFFFAOYSA-N	414.505	5.302	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2csc(COc3ccc(C)cc3)n2)c1	237023652	IGQSFNLGVRUGRQ-FQEVSTJZSA-N	407.539	5.001	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2noc(C(F)(F)F)n2)cc1	409926045	ZIPNJNCLLKPLSQ-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1	426097322	FLDHSYRAHMTRMH-KRWDZBQOSA-N	424.570	5.092	30	20	HKED	
COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1OCC(F)(F)F	428100937	IPRCLZGPKYFAIO-UHFFFAOYSA-N	420.412	5.283	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](OCC3CC3)C2)cc1Cl	429171953	PTJGESUUFLIGRG-RBBKRZOGSA-N	423.944	5.418	30	20	HKED	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	429385540	NRNXDJPBDTVGHX-QFIPXVFZSA-N	415.493	5.156	30	20	HKED	
Cc1ccc(CCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)s1	429936808	AQTMLXVDHIIDHC-UHFFFAOYSA-N	414.581	5.033	30	20	HKED	
Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	430416011	HHRMLWZHTJEGJZ-IBGZPJMESA-N	407.901	5.517	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c(C)c1	432718148	JUTVZXREDOIHDP-QGZVFWFLSA-N	409.555	5.505	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H](c1ccccc1)c1ncc[nH]1	433134345	QQJQGTWDMGIHKJ-QHCPKHFHSA-N	423.476	5.327	30	20	HKED	
CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)C2	435614890	NOQDOKCLKOKZNY-KRWDZBQOSA-N	409.555	5.460	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F	437483509	MJESPKWLLPYYGB-ZFWWWQNUSA-N	406.379	5.797	30	20	HKED	
COCc1nc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c(-c2ccccc2)s1	442033620	PWQDAIQPWJVIHY-AWEZNQCLSA-N	405.504	5.056	30	20	HKED	
CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CCC2	442055959	KWMFZFYQQUAQKB-CQSZACIVSA-N	424.448	5.017	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(F)c(O)c(F)c1	444441913	VGGDBXBPCJZZLY-ZDUSSCGKSA-N	413.264	5.113	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(O)c1	444855843	VGFSEFDNVDWXKS-BTYIYWSLSA-N	405.885	5.584	30	20	HKED	
CN(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	460645633	AOXRFLVCSKHHMN-VHDGCEQUSA-N	414.365	5.582	30	20	HKED	
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	460773925	WEKZYGLWXAPFCN-MRXNPFEDSA-N	410.509	5.065	30	20	HKED	
CC[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1c(C)nn(C)c1C	464425704	DVUNCBAYNUXQCP-FQEVSTJZSA-N	422.916	5.235	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1	465959652	CKOQGKRZAFIXGH-JOCHJYFZSA-N	413.949	5.157	30	20	HKED	
C=CC[C@H](CC)NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	466390750	WAZBPKSMHOTMMV-HNNXBMFYSA-N	405.420	5.434	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1	468908944	IWNPABXYGQSYCK-UHFFFAOYSA-N	415.472	5.194	30	20	HKED	
CC[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[C@@H]1c1ccccc1	470012967	LFQBTLZJDQTTJW-YKSBVNFPSA-N	414.505	5.386	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(C#N)cc1	470780302	RJJZDXOVCFLMKD-KRWDZBQOSA-N	405.523	5.101	30	20	HKED	
Cc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	473520310	ISDVKOZTBVKGMD-OAHLLOKOSA-N	420.444	5.073	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCCc1cc(-c2ccccc2)no1	475545470	JWZUZADDOAUDTL-UHFFFAOYSA-N	417.553	6.290	30	20	HKED	
N#CC[C@@H](CC(=O)N1CC=C(c2cccc(Br)c2)CC1)c1ccccc1	476687713	KJWJDORGFFTPOP-FQEVSTJZSA-N	409.327	5.152	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	479516740	VWNLXRZAOVBCTJ-MRXNPFEDSA-N	415.518	5.159	30	20	HKED	
CC[C@@H](C)n1nc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C	480615719	STBJDFWBUZPNEW-OAHLLOKOSA-N	421.476	5.396	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N[C@@H]1CCCC(F)(F)C1	482309642	BXFKSCOTRWLNKC-NEPJUHHUSA-N	404.301	5.186	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2cc(Br)ccc2c1)c1cnc2ccccc2n1	483189708	CONBPQONDJIRFQ-QGZVFWFLSA-N	402.251	5.036	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1cnc2ccccc2n1	483232799	HOMXVPVHZKOLRM-IBGZPJMESA-N	413.864	5.352	30	20	HKED	
C[C@H](c1ccc(-c2cccc(C#N)c2)cc1)N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O	485215902	XRNJQMRJFUUKQA-YWWLGCSWSA-N	421.500	5.454	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1sc2ccccc2c1Br)c1ccccc1	487508450	ZSPBZEOYQDUPGI-MRXNPFEDSA-N	413.340	5.829	30	20	HKED	
COc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc(Cl)c1OCC(C)C	487563552	HGXGJKBNRDTHKU-FQEVSTJZSA-N	414.933	5.548	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccc(C)cc1	489637806	JOHFVJJDXUFQHO-CYBMUJFWSA-N	417.456	5.220	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C1CC1	498186823	WVMVHSYFOIGVGA-UHFFFAOYSA-N	414.509	5.239	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cs2)cc1	499326118	XOYUMYWGZDPKIC-UHFFFAOYSA-N	417.534	5.274	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OCCC)c(OC)c1	499762295	MJHFQURJYOZPKP-UHFFFAOYSA-N	408.951	5.097	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	502158242	ZIXNJRVNCHZSRA-GGAORHGYSA-N	418.928	5.363	30	20	HKED	
CCN(Cc1nc(O)c2c(-c3ccccc3)csc2n1)[C@H](C)c1ccc(C#N)cc1	505791906	ZEQDKGIGUFHDMT-MRXNPFEDSA-N	414.534	5.519	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cccc(COc2ccc(F)cc2)c1	506271696	XTMGDRZMOLYANE-UHFFFAOYSA-N	421.497	5.071	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(-n2cccn2)c(F)c1	508836054	PKBDPYXQKVEGGE-KRWDZBQOSA-N	410.452	5.041	30	20	HKED	
Cc1ccccc1CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510004253	FEOFDWHMUSRVIR-QFIPXVFZSA-N	403.913	5.968	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1Cl	510007206	SZUALHOYCIHMGN-IRLDBZIGSA-N	421.953	6.426	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1)c1ccc(F)c(F)c1	511869461	XJJRQWCYEGLOFT-SJORKVTESA-N	402.407	5.346	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1	512621345	XCLASURROANWCN-INIZCTEOSA-N	416.443	5.262	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1c(F)cccc1F	516843600	HAQXSBFSTFCYTQ-OAHLLOKOSA-N	408.473	5.620	30	20	HKED	
CCOc1cccc(CNC2CCC(Oc3ccccc3C#N)CC2)c1OC(F)F	517712439	XQHIFKJQEZGPSR-UHFFFAOYSA-N	416.468	5.038	30	20	HKED	
C=C(C)CN(CC)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	518613695	ZJERRBVNJQYJIK-QGOAFFKASA-N	421.522	5.560	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1	519426229	KBXOKJBFBDYXHZ-AWEZNQCLSA-N	423.563	5.631	30	20	HKED	
C[C@H](Nc1cccc(COCC2CC2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	520469254	NIBICEHBRBQKFR-INIZCTEOSA-N	423.582	5.254	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	520624307	ZSRBEEGQOQCAJR-MZNJEOGPSA-N	417.484	5.050	30	20	HKED	
CCN(CC)Cc1ccccc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	520854986	AFKANYXGTHMWKL-SFHVURJKSA-N	410.587	5.102	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)cc2)ccn1	521322842	NFYAUDUSCYSCGE-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cncc2ccccc12	521734402	NOPIYNFBHGFZKH-UHFFFAOYSA-N	401.413	5.512	30	20	HKED	
Cc1cc(NC(=O)c2oc3ccccc3c2CSc2cccs2)n(CCC#N)n1	523317351	UYLAPSVCIUFECL-UHFFFAOYSA-N	422.535	5.458	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H]1c1ccccc1Cl	523591140	WSCZFXOFUXKDJR-HSZRJFAPSA-N	401.897	5.504	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1	523968410	RZGDAKMVHFKZGV-VLIAUNLRSA-N	403.404	5.095	30	20	HKED	
CCN(Cc1ccncc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524439230	MXXJYDBXVXXLMH-UHFFFAOYSA-N	420.900	5.240	30	20	HKED	
CC(C)CCn1c(SCc2nnc(-c3cccc(C#N)c3)o2)nc2ccccc21	525626024	XWNVUSLOOWCJOR-UHFFFAOYSA-N	403.511	5.296	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1	531688151	UHCLXMLICOYHNI-UHFFFAOYSA-N	413.890	5.110	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccsc1)c1ccccc1	532684333	FWBDCTXKYPYHRF-GOSISDBHSA-N	421.591	5.645	30	20	HKED	
CCN(CCc1nccs1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	532828110	GUVHCMPCQAKDHG-UHFFFAOYSA-N	407.564	5.012	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	535211820	MXFKIINYMADQQM-LBPRGKRZSA-N	408.474	5.273	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)cc2)c1	536814311	FKNRXAVKNPSTKY-YKSBVNFPSA-N	413.477	5.250	30	20	HKED	
C=CCC[C@H](NCc1nc(-c2ccc(Br)s2)no1)c1ccccc1	538256066	BQSJBAGTVNLEGM-AWEZNQCLSA-N	404.333	5.358	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Oc1ccccc1C#N	539754472	BKBJOHJVMBOEFQ-QGZVFWFLSA-N	413.502	5.855	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	542699612	INIZWZFVIQZKHA-OAHLLOKOSA-N	407.564	5.149	30	20	HKED	
C[C@@H](NC(=O)CSc1nccn1C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1	542989112	MGQJDBIPPBIOQR-QGZVFWFLSA-N	418.566	5.146	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl	543214478	AMSZEIAKENJNKB-UHFFFAOYSA-N	421.305	5.357	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc2c1OCCC2=O)c1ccc(-c2cccc(C#N)c2)cc1	543887345	OCMOJEVOULDKGP-MRXNPFEDSA-N	411.461	5.073	30	20	HKED	
Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1	544299203	IUWGYEJSXDZIDP-UHFFFAOYSA-N	417.469	5.249	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(Br)c1Cl	549086954	RYQJATHTWQKWAD-WMLDXEAASA-N	418.722	5.406	30	20	HKED	
C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(OCC2CC2)CC1	549724042	ODXDYGZEUPCEBF-UHFFFAOYSA-N	402.542	5.070	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C3CCC(OC[C@H]4CCCO4)CC3)cc2)cc1	550122271	JYYWXCQZNFHAHU-NFDBJIOVSA-N	420.509	5.043	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](CCCC#N)c1ccccc1	550828036	VKMPEQWPZALWJG-LPHOPBHVSA-N	403.448	5.447	30	20	HKED	
COCC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1	551570553	VKNRGMSLHMHSTN-DJJJIMSYSA-N	406.313	5.003	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nccn1-c1ccccc1	554211173	IBDTZUMIRDRSRK-DLBZAZTESA-N	405.527	5.149	30	20	HKED	
CC[C@H](C)[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	554597898	JJWQYEZVYABALJ-UWJYYQICSA-N	410.949	5.089	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	557061541	JDSZHWOXNFRCQM-UHFFFAOYSA-N	412.371	5.058	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1OC	558342926	YDWUWYAZYVZHAI-GOEBONIOSA-N	413.543	5.147	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1-c1cccc(F)c1	564753159	CCXVRFJMTQRFAV-MRXNPFEDSA-N	404.470	5.064	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F	570874648	QOTTUCTZSIIHKJ-SECBINFHSA-N	408.317	5.164	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ccc(OCc4ccncc4)cc3)cc2)ccn1	581853749	VHSDLFRYFGFHGV-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2nccc(C#N)c2Cl)C3)cc1	587974060	YMSUCVCJNBJXIW-UHFFFAOYSA-N	417.900	5.122	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1)c1cccc(C#N)c1	589438003	NKOLWCPITDNKPT-CYBMUJFWSA-N	411.477	5.115	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N[C@H](CCCC#N)c3ccccc3)s2)cc1	590477666	BGWSNAWJPIZGAF-HXUWFJFHSA-N	405.523	5.292	30	20	HKED	
C=CCn1c(Sc2ccnc(C3CC3)n2)nc2scc(-c3ccccc3)c2c1=O	599445574	VZTJRCOCIOBGQG-UHFFFAOYSA-N	418.547	5.130	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cn2)cc1	603690147	WYKAXRAEPXVLLF-NRFANRHFSA-N	418.884	5.768	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CSc2ccc(F)c(F)c2)cc1	604003628	IUNOQQGZFJZIGG-UHFFFAOYSA-N	424.472	5.341	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1	604512008	YGLIRGUYQLSGAW-UHFFFAOYSA-N	407.473	5.272	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1	608891700	GBGHAEKXTKYBPN-UHFFFAOYSA-N	416.500	5.299	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1	609168402	LQJROKJYCQLVBO-UHFFFAOYSA-N	407.901	5.094	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	609377553	YGZLNUICVLQQLD-UHOFOFEASA-N	405.350	5.987	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1Br	609434757	OPKCLAZVRLCXOM-AWEZNQCLSA-N	418.360	5.507	30	20	HKED	
CN(CCCOc1ccccc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609499953	ZECPOZPQUYNPEA-UHFFFAOYSA-N	400.478	5.086	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2)n1	610040006	PYZXIKPMSWLFTL-UHFFFAOYSA-N	415.440	5.195	30	20	HKED	
CS[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	610041099	RNHCPQZSCRYOCE-HSZRJFAPSA-N	402.519	5.374	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	610148850	IARPPQGTBGWNBL-UHFFFAOYSA-N	413.852	5.530	30	20	HKED	
N#Cc1cc(N2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc([N+](=O)[O-])cc12	610246545	JBWLNFYLHOYDDX-AWEZNQCLSA-N	415.478	5.008	30	20	HKED	
Cc1sc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	610348918	AIYZXHHYDZAEOB-ZDUSSCGKSA-N	410.930	5.204	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C1CC1	611195152	RAXPZPOGKBLZDY-HNNXBMFYSA-N	416.485	5.434	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCCc2sccc2C1	642700994	YPVSBUJZZVEBBN-UHFFFAOYSA-N	401.539	5.084	30	20	HKED	
CCCN(CCC)C(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726467652	GVMGLYWFMNUXQR-UHFFFAOYSA-N	414.962	5.283	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)cc1C	726801743	MFLYIQQPMNSEBT-XSFVSMFZSA-N	408.548	5.392	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1	726941910	LOPIATHMGFHSIX-XMMPIXPASA-N	410.473	5.010	30	20	HKED	
C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)NCc3ccc(OCC#N)cc3)c2)C1	727935919	AFHXBQZTNBNSEZ-FDDCHVKYSA-N	407.514	5.006	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc2ccccc2n1C(F)F	727954744	TXNNIQIPFVDKJO-HSNDNRACSA-N	421.447	5.642	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(SC(F)F)cc3)o2)cc1	727982719	RUCUFZZNPQRWPE-UHFFFAOYSA-N	400.406	5.297	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(C)n1-c1ccc(C#N)cc1	728264565	ASFYKMLWNYIEPR-UHFFFAOYSA-N	424.460	5.063	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1	732900505	QGPMBHYISHMDOY-IBGZPJMESA-N	406.388	5.027	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc2ccccc2s1	734209741	FKUSJGIONHUBSJ-HNNXBMFYSA-N	414.490	5.843	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)o1	734303751	YPVXDBQDCUXBHD-CPNJWEJPSA-N	401.393	5.137	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1cccc(C(=O)N2CCCCC2)c1	735318324	KYIZUAWVOGORKG-UHFFFAOYSA-N	414.958	5.302	30	20	HKED	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1	743016338	BJAZQPBEFDEEMA-INIZCTEOSA-N	405.954	6.268	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F	744025435	MJTYSTOMXCIYGY-BLLLJJGKSA-N	408.807	5.200	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	744026022	RGHYGUNYUXULCU-OFNKIYASSA-N	416.908	5.404	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc(-c2ccccc2)cs1	744036670	GRLXSRDKOKNCBF-OKZBNKHCSA-N	413.329	6.097	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)cc(Cl)c1O	746345342	FAOBDQTVYXFXDX-XQRVVYSFSA-N	414.857	5.664	30	20	HKED	
Cn1c(-c2ccccc2Cl)nn(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1=S	751932254	OANUVAKHMXPTOG-AZUAARDMSA-N	423.973	5.001	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C\SCc3ccco3)cc2F)c1	754237294	PCIUJMNTLIHOCW-NTMALXAHSA-N	408.454	5.255	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCC(=O)c3ccc(C)cc3)n2)cc1	766275577	ODFQSFBBXXCPJB-FQEVSTJZSA-N	418.518	5.357	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c1	767606705	DGBAQIHXXRAHRV-KRWDZBQOSA-N	405.523	5.290	30	20	HKED	
COc1cccc(/C=C/C(=O)c2ccc(Br)cc2F)c1OC(F)F	767738361	VBJOIPNSQLQUAB-VMPITWQZSA-N	401.178	5.094	30	20	HKED	
N#CCOc1cccc(Cc2nc(C3(c4cccc(C(F)(F)F)c4)CCC3)no2)c1	771603780	UNFAFVYMDFUEPY-UHFFFAOYSA-N	413.399	5.052	30	20	HKED	
O=C1C/C(=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C(=O)c2ccccc2N1	774144642	KRJYBDDDVNFALE-ATVHPVEESA-N	416.864	5.201	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)c1OC	776346466	HYKKRILZVXKJRX-LJQANCHMSA-N	404.466	5.082	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCCCC4)cc3)n2)cc1	777311090	XSTRWBMZCDKBEB-NRFANRHFSA-N	412.518	5.162	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1	780300518	BDYVPRDMRUMEAQ-CQSZACIVSA-N	421.428	5.083	30	20	HKED	
CCN(CC)[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1cccc(C(F)(F)F)c1	780319137	MEMNQZINVDPWKD-VQIMIIECSA-N	415.415	5.106	30	20	HKED	
O=C1/C(=C\c2cc(-n3ccnc3)cs2)CC/C1=C\c1cc(-n2ccnc2)cs1	783698325	YFDDKQICWASRCP-BSHIDLADSA-N	404.520	5.011	30	20	HKED	
N#Cc1ccc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1Cl	787666073	YWWVKAGRJUECHW-UHFFFAOYSA-N	416.908	5.002	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C[C@@H](CC#N)c3ccccc3)ccc21	793348823	NJHUNFHDGLKPHK-GOSISDBHSA-N	405.498	5.010	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1cc(OCC)ccc1OCC	795141300	ZGQXIXOFKFMYMX-UHFFFAOYSA-N	416.591	5.037	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)cs1	799602642	WRHOGQQCONEDGK-HXUWFJFHSA-N	411.486	5.233	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	804456280	WEXCWFNRXQTELB-HSZRJFAPSA-N	410.542	5.215	30	20	HKED	
Cc1cc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)cc(C)c1OCc1ccccn1	806563013	QQIPYOSBZNKVMG-FYVGXUMQSA-N	413.473	5.116	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OC1(CC#N)CCC1	810858094	LAXPJLDOUQRLSJ-UHFFFAOYSA-N	406.866	5.095	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(COCc2ccc(OC)cc2)c1)c1ccc(F)cc1	812927762	BPBJPWJCXPVQLH-XMMPIXPASA-N	418.468	5.047	30	20	HKED	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)CCC#N)cc2)SC1=S	814292694	JMNIQRZYIGBMHY-HKWRFOASSA-N	407.564	5.005	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccccc1	817318460	ANOYPABXCGTTNC-LJQANCHMSA-N	409.486	5.026	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2nc(-c3ccccc3)oc2C)cc1OC	818269131	ZHEUMBPGOVAECJ-UHFFFAOYSA-N	400.862	5.261	30	20	HKED	
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(C(F)(F)F)c2)no1	904310922	OERIFGHWAVYLBN-CYBMUJFWSA-N	417.815	5.464	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3sc4ccccc4c3Cl)cn2)c1	915175175	PBWHGISNOALXHL-UHFFFAOYSA-N	405.866	5.866	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1	916896223	BDIVDHSPMWIVCS-QGZVFWFLSA-N	409.898	5.042	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1nc(-c2ccccc2)cs1	917025857	RDYMJJRPTXRRHP-IBGZPJMESA-N	416.477	6.018	30	20	HKED	
C/C=C/c1ccc(OCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC)c1	917043442	IQIBZELDJRFWDC-BWPKMQGJSA-N	412.898	5.247	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C(C)C)cc2)cs1	917560356	WQOSVSWGQFMALJ-RAXLEYEMSA-N	424.953	6.501	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2csc(-c3ccccc3)n2)SC1=S	917644386	CRDORYXPBZYBFU-YVLHZVERSA-N	405.529	5.088	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)/C=C/c1cnc2ccccc2n1	919893809	QEBKZKPCNVBSKH-MDWZMJQESA-N	406.445	5.254	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1	919904604	PEXQAGJOSUCGIC-DEOSSOPVSA-N	410.521	5.264	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(OC(C)C)cc3)cs2)cc1	920063901	KPKXVMYPHGUCAO-MLPAPPSSSA-N	409.507	5.414	30	20	HKED	
COc1cccc([C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	920112931	NIWDWQSTKKOBDH-NHYWBVRUSA-N	404.413	5.304	30	20	HKED	
Cc1cc(Cl)ccc1OCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920804486	RPIBPHOCGYSLEX-ZDUSSCGKSA-N	418.852	5.305	30	20	HKED	
N#Cc1ccc(CCSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)cc1	1559344757	WXHZFLZKPWHYDC-UHFFFAOYSA-N	407.495	5.409	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(C)(C)C)oc4C)CCC3)cc2)C1	1785807626	ZRPJVBUGZSEDLP-UHFFFAOYSA-N	420.553	5.599	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1)C(F)(F)F	1791305529	PPSGJVSVFAFQBK-IKGGRYGDSA-N	420.475	5.065	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826527439	RXYLQXODUZDHTE-KVACCUTFSA-N	420.597	5.088	30	20	HKED	
COc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)cc1	22731256	SDEIRXCVXZANCZ-UHFFFAOYSA-O	405.543	5.157	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2cccc(C)c2)cc1	22732151	KMECMJPAAXRTCD-UHFFFAOYSA-O	423.533	5.180	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1cc(C)ccc1C	23603754	PVXMJRBYGMIRHN-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)OCc1nc2ccccc2n1C(F)F	25620811	WEVBXUXPTUDBLP-UHFFFAOYSA-N	403.388	5.327	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1SCc1ccccc1	28662408	TYQIEWJROQTKDD-UHFFFAOYSA-N	419.575	5.645	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)c1ccc(C#N)cc1	45500900	VECBCGCKQKRIEF-INIZCTEOSA-N	407.901	5.409	30	20	HKED	
CC(C)Sc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	106298625	YHKGOIGKKXFSEI-UHFFFAOYSA-N	402.519	5.890	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1F	195569722	NRGYOCJEDIBXJH-UHFFFAOYSA-N	424.545	5.126	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)c3ccccc3C2=O)c1	207619853	WFOZTOQNNQHPMZ-BWAHOGKJSA-N	422.484	5.405	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2SCC#N)cc1	212648835	CEYRSCLPKDBHQC-BOPFTXTBSA-N	402.306	5.302	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccccc1F	216103488	ZHSCOLMIXGFHQK-ZDUSSCGKSA-N	416.909	5.043	30	20	HKED	
Cc1nc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)sc1SCC#N	409504459	YNGQWXBOOAKHKO-HNNXBMFYSA-N	409.536	5.460	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccccc1	435998162	YXDRAONWUDCWMY-KZNAEPCWSA-N	415.306	5.038	30	20	HKED	
CCCc1c(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cnn1-c1cccc(C#N)c1	440074348	QFIIWAIXTJPCOT-UHFFFAOYSA-N	417.900	5.012	30	20	HKED	
N#CCCCCNC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1	442067554	YLUCLMZTMJPHMB-UHFFFAOYSA-N	406.255	5.196	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C	446862073	OUVCSVAOWXKJQE-FQEVSTJZSA-N	406.448	5.395	30	20	HKED	
CO[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(Cl)cc1	460330441	STKWLTWTJSSHCQ-HXUWFJFHSA-N	422.937	5.480	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N(Cc1ccco1)Cc1ccc(C)s1	460376343	SPLANQNSZARXDI-UHFFFAOYSA-N	419.554	5.010	30	20	HKED	
Cc1ccc2c(C3=CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)CC3)c[nH]c2c1	462775970	MSLZGYUHYQYBEY-UHFFFAOYSA-N	409.449	5.098	30	20	HKED	
O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1	464508661	VDCUCJSRPAYJSN-UHFFFAOYSA-N	419.340	5.926	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)ccc21	467191880	PPODBMMCBZUZER-AWEZNQCLSA-N	408.433	5.124	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H](c2ccsc2)O1	470600980	NKARCQYSTBWAHR-RKVPGOIHSA-N	401.557	5.136	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(COCCOc3ccccc3)c2)cc1	474953099	LPLWBBRUJFQABZ-UHFFFAOYSA-N	414.505	5.336	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2oc(CC(C)C)nc2C)cc1	475491216	DTAMZEGINGECNB-UHFFFAOYSA-N	405.454	5.106	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(COC2CCOCC2)cc1	475572566	PYQLUPDQWZZIKJ-UHFFFAOYSA-N	422.569	5.556	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)C[C@@H](CC#N)c2ccccc2)c1	476628654	FVPXSTQIGPWEDU-KODFZCBSSA-N	424.544	5.840	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Br)c(Cl)c1	476975692	RECPRJNMKSYJHZ-CRAIPNDOSA-N	403.707	5.014	30	20	HKED	
C=C(C)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)c(F)c1	479389923	IEUCSUZIDKBNKX-LJQANCHMSA-N	401.438	5.404	30	20	HKED	
C=CCn1c(SCc2nc3c(F)cccc3n2CC)nnc1-c1ccc(F)cc1	483097240	HODLELXXTLGGRA-UHFFFAOYSA-N	411.481	5.071	30	20	HKED	
Cc1ccc2c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)csc2c1	483442943	SJZKWLBYUAVLQJ-CQSZACIVSA-N	419.531	5.289	30	20	HKED	
COc1ccccc1-c1nc(CSc2nc(C(F)(F)F)ccc2C#N)cs1	488725331	AQIJKYHIHIADKM-UHFFFAOYSA-N	407.442	5.396	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2CCCC2(C#N)CCOCC2)c1	499625420	LWCMMGZHPFVHGE-DQEYMECFSA-N	404.554	5.326	30	20	HKED	
N#C[C@H](C(=O)c1occc1-c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	504544488	DOLWLWIEJBQGIP-OAHLLOKOSA-N	424.403	5.977	30	20	HKED	
C=CCC[C@@H](NC(=O)NC[C@H]1CCCn2cc(C)nc21)c1ccc(C(F)(F)F)cc1	506094483	VRLYEOTVZNMZEA-IEBWSBKVSA-N	420.479	5.094	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	506650309	FOUAZSCNWRQHSU-XOBRGWDASA-N	422.916	5.526	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(C#N)ccc2Cl)cc1	507204135	PWRHRXHOUHOIQJ-UHFFFAOYSA-N	401.853	5.109	30	20	HKED	
C=C(C)Cn1c(SC[C@H](OC)c2ccc(Cl)cc2)nnc1-c1ccncc1	509073484	BQPBCCQIVLNDIE-SFHVURJKSA-N	400.935	5.049	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3cccc4ccccc34)C(F)(F)F)o2)cc1	510456143	OSKBEJAWGDILKH-FQEVSTJZSA-N	408.383	5.155	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1	510677931	DGAQFZWZSPXRCY-JOCHJYFZSA-N	401.441	5.859	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	512839035	QNCIIUWSZSCZDF-ZDUSSCGKSA-N	414.252	5.130	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(F)cc2Cl)cc1	513959997	XURMARQTPNURFL-UHFFFAOYSA-N	411.839	5.724	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)c4ccccc4n3C)n2)cc1	517801173	ZBEYQXWSBQTJOX-INIZCTEOSA-N	421.909	5.454	30	20	HKED	
CC[S@@](=O)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	517820025	ALTQJHOLJLPGOZ-AFJIDDCJSA-N	422.937	5.375	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2)cc1	519052447	UKOSFVJLUQOLNL-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl	519485143	HGOWEFSDRUWLJZ-FMKPAKJESA-N	413.226	5.497	30	20	HKED	
C=CCN(C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1nc2c(s1)CCCC2	519658049	YMSCDSQDNZIVAR-UHFFFAOYSA-N	417.534	5.107	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1OCc1ccccc1	520215609	GHARPABDHYTPDT-SFHVURJKSA-N	402.494	5.005	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1	520483541	HGIXAWPFNCYISQ-UHFFFAOYSA-N	423.567	5.145	30	20	HKED	
N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)nc1	521077940	BUWKSQDAESSHTH-UHFFFAOYSA-N	419.893	5.897	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccccc1)c1cccc(Cl)c1	521384431	CGVIWHHVDSKNQG-JOCHJYFZSA-N	410.304	5.183	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)cc1F	521723800	YNFJVOAQIFRILF-UONOGXRCSA-N	406.523	5.649	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	523185245	YRQMEABLKUBVND-UHFFFAOYSA-N	401.516	5.971	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	523951396	VQKQEOFBNIHPSA-ZDUSSCGKSA-N	419.890	5.050	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2c(C)n[nH]c2n1	524473714	AZLPZNHGQGNSML-IBGZPJMESA-N	415.884	5.136	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1Cl	524707287	HQAZWSISEXZWPN-OAQYLSRUSA-N	420.871	5.736	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCc2ccccc21	532503429	NXFJKUJEZNOAOI-AVRDEDQJSA-N	407.583	5.419	30	20	HKED	
N#CCC[C@@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccccc1	532805360	SSQSXTXJDFZQHB-GOSISDBHSA-N	402.350	6.252	30	20	HKED	
Cc1c(C(=O)N[C@@](C)(C#N)CCc2ccccc2)sc2nc(C(F)(F)F)ccc12	533046412	SJGDVMLQHZKPFW-HXUWFJFHSA-N	417.456	5.268	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1	540154704	VAIMKUKWBGXMPU-AZPZBIJESA-N	418.581	5.306	30	20	HKED	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCO[C@H](c2ccccc2C(F)(F)F)C1	542906460	ALOZQMGHNBMZDB-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
COc1cc(CN[C@@H](C)c2cc(C)sc2C)ccc1OCc1cccc(C#N)c1	544400694	LJBKBWHLTJQWOW-KRWDZBQOSA-N	406.551	5.675	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(SCc3ccccc3Cl)cn2)c(F)c1	546920272	CIDDUYTXTAPBPV-UHFFFAOYSA-N	415.852	5.429	30	20	HKED	
CC[C@H](CC#N)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	547292328	GHICPXJVFPVUSE-CYBMUJFWSA-N	423.416	5.187	30	20	HKED	
CC(C)(C)c1cc(NC(=O)COc2ccc(Oc3ccccn3)cc2)c(C#N)s1	550119362	LNWAHCQRFHMBBA-UHFFFAOYSA-N	407.495	5.122	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)sc2ccc(C#N)cc12	550547460	BDZXZUOSWHEKDN-INIZCTEOSA-N	400.290	5.383	30	20	HKED	
COCC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)c(Cl)c1	556482983	SILIXKOIBDIDLU-LJQANCHMSA-N	405.325	5.302	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)cnc1C(F)(F)F	559149532	INRKSKVHSNFDQR-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
N#CC1(N(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C2CC2)CCC1	560099735	AUZPMLDGNBYMPM-UHFFFAOYSA-N	401.329	5.228	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1CCC(F)(F)CC1	566935421	RMSSRKOZBWLKCG-UHFFFAOYSA-N	404.844	5.654	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)N(CCC#N)c3ccc(F)cc3)c2)no1	573295341	QBGSTTPWLHJALR-UHFFFAOYSA-N	406.461	5.025	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1Cl	573990639	AWGVTKMDTFMLPP-DENIHFKCSA-N	419.916	5.478	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)N(c3ccc(F)cc3)C3CCCC3)CC2)c(F)c1	580915240	MKLFLBYDDCHWAJ-UHFFFAOYSA-N	409.480	5.029	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)c1	589382289	ONFLZEUGUVVVTD-UHFFFAOYSA-N	412.486	5.377	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1	590335819	FHTOZRRAYYGGES-SNVBAGLBSA-N	424.316	5.668	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	603758474	ZCLPJWUKWOXMFM-UHFFFAOYSA-N	415.518	5.619	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1	603969784	NDSQJWQILZHKFS-UHFFFAOYSA-N	404.882	5.378	30	20	HKED	
CSCCc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1	609014254	CTXXFSMYIVOKKF-UHFFFAOYSA-N	402.519	5.295	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(C(C)(C)C)nc1C	609060894	PBYBONZHXJTJPP-UHFFFAOYSA-N	419.550	5.760	30	20	HKED	
C[C@@H](c1ccc(C#N)cc1)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	609823616	WXJMVJKJVCTFML-KRWDZBQOSA-N	414.484	5.461	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](CN2CCCC[C@H]2C)C1	609845493	SXQKRBJVVWSRBO-VAMGGRTRSA-N	414.619	5.199	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	610187002	VEFNZIOXYZFILC-PNCHPQGNSA-N	400.478	5.137	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Br)c(Cl)c1	610877286	JVVLUOPMJGXDGV-KRWDZBQOSA-N	404.695	5.343	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)C1	612306480	QTMQODAFMNLEEY-LJQANCHMSA-N	404.392	5.050	30	20	HKED	
C[C@H](c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	619726818	BWZXOALHESZZMB-USWWRNFRSA-N	409.292	5.709	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	642281683	ACFLRMUFQVJSOW-CQSZACIVSA-N	421.831	5.676	30	20	HKED	
O=C(c1cc(C(F)(F)F)ccc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	675442252	BXOFIMBKTWXWDJ-IUCAKERBSA-N	411.239	5.047	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1cccs1	676073631	IFHONCZERXFMSI-GFCCVEGCSA-N	421.494	5.158	30	20	HKED	
O=C(c1cccc(-c2c(F)cccc2F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	677431431	NZADWLUXFZYPCM-BETUJISGSA-N	423.303	5.445	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OCC	726442919	AIKMRPQIXGJYIO-CYBMUJFWSA-N	403.935	5.057	30	20	HKED	
C#Cc1cccc(N2C(=O)/C(=C/c3csc(-c4ccsc4)n3)SC2=S)c1	726626875	MARSYQAERRVNDY-SXGWCWSVSA-N	410.570	5.259	30	20	HKED	
O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2c(Cl)cccc2Cl)cc1	727058086	FTSABYBVNBTNDB-UHFFFAOYSA-N	420.321	5.240	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)cn2)cc1	727708823	LFRSGYVXECBDGA-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc2ccccc2n1C(F)F	727954745	TXNNIQIPFVDKJO-HYSAVQALSA-N	421.447	5.642	30	20	HKED	
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	730528195	XOXZDSJALDQFQQ-YADHBBJMSA-N	419.525	5.070	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCOc3cccc(C#N)c3)n2)cc1	732496152	OQQZCPVXHVOUBF-NRFANRHFSA-N	415.518	5.416	30	20	HKED	
N#C[C@@H](C(=O)c1cccnc1SC(F)(F)F)c1nc2cc(Cl)ccc2s1	733681616	XMIUSULTTKGVAR-JTQLQIEISA-N	413.833	5.447	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1	733801514	QYARHHHHRREYSU-IRLDBZIGSA-N	411.933	5.362	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	734444243	PDICCYGIVBSUOY-UHFFFAOYSA-N	421.909	5.460	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccncc1	734660058	KMJXWDBCSKVQTH-FGZHOGPDSA-N	409.892	5.580	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C	737004307	UIICNHDFDSIZOF-UHFFFAOYSA-N	415.559	5.335	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1C[C@@H](OCC)C12CCCCC2	741508342	CQOXLDSRJPGJCH-VQTJNVASSA-N	420.022	5.748	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2cccc(C)c2C)c1=S	742152228	IYMDDZGIYNCMHL-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)c1OC	742638751	PTDSHRQFUDJXMU-IBGZPJMESA-N	418.493	5.256	30	20	HKED	
C/C(=C\C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1	742699323	SCJHVRBYUHDWLC-SDNWHVSQSA-N	424.426	5.422	30	20	HKED	
COc1ccc(CSCC(=O)Nc2ccc(C#N)cc2)cc1SC(F)(F)F	742971714	VGASDCSHGWUBTD-UHFFFAOYSA-N	412.458	5.051	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Cl)c1	744034479	IUWCFDABWZWNRL-SJCJKPOMSA-N	401.318	6.097	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)cc2)c1	747108406	OQYJIKHSODLPQN-LJQANCHMSA-N	404.853	5.402	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1	747198050	RXIBUCFCDJVCDO-INIZCTEOSA-N	410.568	5.038	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c(C(F)(F)F)c1	747200969	MDVAXWGRFIFBOF-ZDUSSCGKSA-N	404.775	5.354	30	20	HKED	
CC[C@@H](Oc1ccccc1C)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	750691286	LNKPABAZIBATDU-AZUAARDMSA-N	406.507	5.161	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1	751140847	ASXQIUYJTWXYMC-RVDMUPIBSA-N	421.456	5.559	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1	752183166	CKYPMICUJKBSNI-GOTSBHOMSA-N	401.897	5.974	30	20	HKED	
C/C(=C\c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	759204525	AYNLRQZSHQATEG-JICACKBISA-N	420.868	5.406	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl	759540058	WAMLLMNKYBSNMP-GOSISDBHSA-N	404.853	5.402	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc2ccc(Cl)cc2n1	764752336	LQZFVGUOYYJJLC-UHFFFAOYSA-N	421.671	5.216	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H]2c2ccccc2Cl)c1=S	764899369	HXOJTVUFNYCMOL-LJQANCHMSA-N	411.962	5.110	30	20	HKED	
CCn1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21	766329326	CKZULSFFVOFJLA-UHFFFAOYSA-N	412.518	5.472	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1Cl	768773620	WRHYVQZKPRSNNN-LLVKDONJSA-N	414.708	5.316	30	20	HKED	
COc1ccc(CN2CCC(c3cc4ccccc4[nH]3)CC2)cc1OCCCC#N	769120824	KELPCNVLKUVWRB-UHFFFAOYSA-N	403.526	5.239	30	20	HKED	
CCOC(=O)N(C)c1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1	770495820	WCPDWHYXPIKZLB-UHFFFAOYSA-N	415.493	5.342	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)ccn2)cc1Cl	775316931	PUNRERASQBXLEK-LJQANCHMSA-N	411.292	5.366	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1	780152660	GMCKXQAFSJHHNM-HXOBKFHXSA-N	420.896	5.698	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccccc1-c1nncn1C(C)C	782789840	VBJANJCFOLJEAP-UHFFFAOYSA-N	405.502	5.068	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1	789890560	SBDVBFIQNVTXEA-SFHVURJKSA-N	400.563	5.514	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1nccc2ccccc12	792092799	DVLXHVGACRVRNJ-SUMWQHHRSA-N	411.274	5.191	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)cc1	795988627	ZJMOPJHNDKSWFS-DHLKQENFSA-N	412.489	5.306	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)c1	796742570	BXSPUYWNTOMNGJ-INIZCTEOSA-N	410.882	5.038	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(C)c(OC)c(Cl)c2)ccc1OC	796827239	SEAGIDDFHRDCJA-QAPCUYQASA-N	402.922	5.197	30	20	HKED	
CC(C)(CCC#N)COC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1	798878270	ONAFYUMFEVDCQA-ISKFKSNPSA-N	418.537	5.040	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccc(C(C)(C)C)cc1	802707684	CCTJLAFIJZKQDD-UHFFFAOYSA-O	422.401	5.565	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(-n4cccn4)cc3)c2)cc1	912859176	FOTJZIBCAZRUCX-GIDUJCDVSA-N	423.472	5.029	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(C)C	915085620	DEFGSJGSJYLPDW-QFIPXVFZSA-N	400.478	5.390	30	20	HKED	
N#C[C@H](C(=O)/C=C\Sc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	917043273	JURTUKJJIZBFGG-QIAWRQBBSA-N	404.438	5.797	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1OC	918606431	AMCKYMWBFAGMJW-ZOXUKVPXSA-N	416.521	5.161	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccsc3)n2)CCOc2cc(Br)ccc21	920065707	HDINEIAMYIBXTF-XFFZJAGNSA-N	418.337	5.683	30	20	HKED	
COc1ccc2c(c1)CCCC2=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1	920401277	JYXOEJAQCDNEDT-UHFFFAOYSA-N	418.280	5.309	30	20	HKED	
Cc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	920803895	FYTQTAYNZUTXJM-AWEZNQCLSA-N	400.475	5.365	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1	1785907531	BVABCYYMVGHBGG-UHFFFAOYSA-N	404.501	5.158	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccsc3)cc2)CCC1	1786944219	RXRFGFQGTYEKAQ-RUDMXATFSA-N	416.493	5.107	30	20	HKED	
N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CC4CCC4)CCC3)cc2)c1Cl	1790084158	WGBZRCRZVPVBQK-UHFFFAOYSA-N	421.928	5.150	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)C(C)C)C2	1792567642	PYWYWBFXJLMXPC-KAOXLYBCSA-N	410.602	5.057	30	20	HKED	
N#Cc1ccccc1COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	12272515	KOWWPAAYCGRROI-UHFFFAOYSA-N	401.249	5.196	30	20	HKED	
C=CCN(C(=O)CCc1nc2ccccc2s1)c1nc(-c2ccccc2)cs1	14723983	VWIHTGWWGPPLBO-UHFFFAOYSA-N	405.548	5.572	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1	22803477	QOGDFOXKFXHDMM-UHFFFAOYSA-O	423.989	5.157	30	20	HKED	
N#Cc1ccc(CCC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc1	26405291	BDVURKFDJLSMAU-UHFFFAOYSA-N	423.560	5.070	30	20	HKED	
O/C(=N\c1nnc(C(F)(F)F)s1)c1sc(-c2ccco2)nc1-c1ccccc1	29291696	CGDGYJNRWQCXNS-UHFFFAOYSA-N	422.413	5.577	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)[C@@H](C)c1ccc(C#N)cc1	45499932	VFMBUEQZQXUEJZ-INIZCTEOSA-N	403.507	5.095	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	55823978	ZLZUJFDTDBDKOE-LJQANCHMSA-N	416.546	5.592	30	20	HKED	
C=CCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1	60364741	NPPWUIBJCNJMEI-MRXNPFEDSA-N	421.360	5.051	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1	60915476	AHODSRHUDXJDOM-UHFFFAOYSA-N	406.470	5.473	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2	103804639	FLHMZBGYEYJNTK-QINSGFPZSA-N	422.315	5.624	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)cc1	116101359	XWMQKFRQSKPFKI-UHFFFAOYSA-N	424.504	5.091	30	20	HKED	
C=CCOc1ccccc1CNCc1ccccc1-c1ccc(Cn2ccnc2)cc1	236676412	PDNRCZKLWAQGSM-UHFFFAOYSA-N	409.533	5.453	30	20	HKED	
COc1cc(F)c([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC	237248843	STKRRSFIWQNJIB-QGZVFWFLSA-N	420.484	5.144	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1	302936998	APIAHZWCTCOIOZ-UHFFFAOYSA-N	417.515	5.717	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1	303678836	LUPQNYBKCHVBIH-GOSISDBHSA-N	414.461	5.254	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	303956864	AWDDZKSVYAMQBL-UHFFFAOYSA-N	420.534	5.933	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(Cl)c1	428939492	ZDBLHSDORGSDEG-UHFFFAOYSA-N	408.889	5.157	30	20	HKED	
N#C[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nc2cc(Cl)ccc2s1	429887612	QTKWCOLEZBTUEN-CYBMUJFWSA-N	410.911	5.319	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccccc1	432697700	SOQZRUXQCBXKJP-HXUWFJFHSA-N	418.522	5.557	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@@H]1c1cccnc1	432994349	OEFRJZNGXPHYBZ-JOCHJYFZSA-N	416.456	5.500	30	20	HKED	
N#CCCn1cc(CNc2ccc(CCCc3ccccc3)cc2)c(-c2ccncc2)n1	433336513	PXNAGLWYGLRSCG-UHFFFAOYSA-N	421.548	5.646	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCc3sccc32)cc1	434004800	USQPZFTXYFYRLH-OAQYLSRUSA-N	402.519	5.452	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc2ccccc2s1	434621161	PSXGSWXUUAVGOY-AWEZNQCLSA-N	407.401	5.252	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1	438079835	YJORLKGRCGIFHM-GQIGUUNPSA-N	413.518	5.214	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)NCc3cc(C#N)ccc3F)c(C)c2)n1	438137103	AKZQALBTMHANHL-UHFFFAOYSA-N	412.515	5.244	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1F	438663388	VVNUAULKPMEZCG-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCSc2ccccn2)cc1Cl	445825940	KZJIISAXWDPFCL-LJQANCHMSA-N	407.926	5.511	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1	462046628	KQDHJEIMLMMLBB-KBPBESRZSA-N	409.942	5.625	30	20	HKED	
Cc1c(F)ccc2sc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)nc12	465278414	TXGTYYOOBXOVDP-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1	466193440	JQKVCVJPLTXCBY-UHFFFAOYSA-N	402.454	5.296	30	20	HKED	
Cc1cccc(Oc2cc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)ccn2)c1C	466524658	DJDISXAYOPAMKN-UHFFFAOYSA-N	414.509	5.614	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)Nc1ncccc1OCCCC#N	466610806	ZKQZFDBVNFTMES-HOTGVXAUSA-N	400.910	5.073	30	20	HKED	
Cc1ccc(C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)c2ccccn2)cc1	469435305	ADHQBZGDPNRPGY-VWLOTQADSA-N	422.532	5.362	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1	470132981	LNOQONZZHDOSJG-UHFFFAOYSA-N	416.403	5.366	30	20	HKED	
CCOc1ccc(Oc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)cc1	470744494	GZMVYRXZFPEWFR-HXUWFJFHSA-N	411.461	5.070	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1	471171281	WITHIMPPQIISSY-UHFFFAOYSA-N	410.301	5.105	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1	472824005	CECMUCCCHNTBKT-UHFFFAOYSA-N	417.509	5.008	30	20	HKED	
Cc1ccc(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Br	473583337	QEZVNABLHIJCKN-ZDUSSCGKSA-N	403.345	5.191	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1Cl	474969695	KPSGBSGQAUYLJU-MRXNPFEDSA-N	423.944	5.408	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	475563425	BXKVPQBCLLYMNC-IBGZPJMESA-N	408.439	6.493	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccccc1-c1ccccc1C#N	479814282	KBZXSNBZTCMXJT-UHFFFAOYSA-N	411.505	5.771	30	20	HKED	
Cn1cc(CNCc2ccccc2-c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1	479976199	DKGOGMWRJPHVJY-UHFFFAOYSA-N	412.924	5.569	30	20	HKED	
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	480128404	ZSHLQZJYJVEJOJ-HRAATJIYSA-N	404.901	5.615	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1ccc(F)c(F)c1	483294262	IIZLWHURJWVBMV-VABKMULXSA-N	422.479	5.007	30	20	HKED	
CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	483487627	WRHVFCMZABEENV-VXKWHMMOSA-N	409.555	5.127	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1	485465167	UNJPBHRVWUOYHL-UHFFFAOYSA-N	420.509	5.537	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2scnc2C(F)(F)F)cc1Cl	485723765	IUEBYTVDQNITGH-AWEZNQCLSA-N	421.831	5.723	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)s2)c2ccc(C(F)(F)F)cc2)cc1	486801996	VZMBNXPGNWKFGO-HXUWFJFHSA-N	402.441	5.526	30	20	HKED	
CCc1noc(C)c1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C	487016068	YCTJFGLZONAYAQ-UHFFFAOYSA-N	424.526	5.136	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1cc(C)c(NC(=O)c2ccc(C#N)cc2C)c(C)c1	487080342	SIIKWAMXMYOTCA-UHFFFAOYSA-N	422.488	5.168	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccc1	487174120	CDWRMFAMVIUCQB-QYZOEREBSA-N	402.416	5.240	30	20	HKED	
Cc1nc(CNc2ccccc2Oc2ncccc2C#N)oc1-c1ccc(Cl)cc1	489727354	GWMZZQXZWKASQT-UHFFFAOYSA-N	416.868	5.975	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)cc2)cc1	489821415	RCXUAOGPBZMPQH-HYBUGGRVSA-N	413.477	5.250	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1CCCc1ccccc1	494080124	QHLYRUBYMRTQIC-FPOVZHCZSA-N	407.583	6.100	30	20	HKED	
COc1cc(C#N)ccc1CN[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1	500870882	XFZBKYAPXKOHOI-HSZRJFAPSA-N	410.489	5.446	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1	501378582	RSUVBFTWBLNQEF-UHFFFAOYSA-N	423.447	5.482	30	20	HKED	
N#C[C@@H](C(=O)c1nccc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	503522782	XAXYICZHIGGCGI-INIZCTEOSA-N	424.312	6.155	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1	504043580	MUYOSLQVPYJLOQ-UHFFFAOYSA-N	404.857	5.037	30	20	HKED	
CC(C)(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1Cl	504347880	UKSRHDFWIPXNCT-UHFFFAOYSA-N	417.896	5.380	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1nc(-c2ccccc2)cs1	504476163	VMKXDIINYCLTCX-MRXNPFEDSA-N	402.523	5.117	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1Oc1ccncc1	505959216	FBBFANFTJBAEQK-LJQANCHMSA-N	411.383	5.196	30	20	HKED	
Cn1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C(F)(F)F)n1	508333799	XXTAQFYQLGKJTP-UHFFFAOYSA-N	420.778	5.009	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)cc1	509114870	XNFLFXMJKGEWOZ-HUUCEWRRSA-N	404.388	5.276	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Br)c1	510466226	VNZXVXJNLAWEMG-QAPCUYQASA-N	403.707	5.014	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1OCC	512981312	OGJCHXZNPUBZDE-GOSISDBHSA-N	421.522	5.273	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1C#N	513676240	BCIUCWHPQRCZIS-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1nc2ccccc2s1	513734041	ZHSCHVMPPHRAOS-HXUWFJFHSA-N	405.482	6.002	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	513852511	IXOKXPTYZIBBHU-VLIAUNLRSA-N	407.901	5.733	30	20	HKED	
C[C@@H](CCc1ccccc1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513879546	FZUCBHVEHSPQRA-FQEVSTJZSA-N	415.512	5.430	30	20	HKED	
C=CCOc1ccc(CN(C[C@H]2CCN(C(=O)c3ccccc3)C2)C(C)(C)C)cc1	514074276	LEQSHTVTOIEOMX-QFIPXVFZSA-N	406.570	5.014	30	20	HKED	
CC(C)c1ccc(CN(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	515103172	WVRMKCCIPPAVIS-UHFFFAOYSA-N	404.539	5.393	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc(Cl)ccc2s1	515540433	TUOVAHOZXWQERR-LBPRGKRZSA-N	413.867	5.563	30	20	HKED	
CCCc1sc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1CC	516269938	GCPNGIRWRZSSQU-KRWDZBQOSA-N	405.548	5.748	30	20	HKED	
Cc1nc(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)oc1-c1ccccc1	518039235	QYBPQMFMUPACAA-UHFFFAOYSA-N	405.523	5.423	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21	518165016	CRDMXAIJUXWGIV-CZUORRHYSA-N	417.987	5.950	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	519515570	LGXPWPKMXIFBEO-CYBMUJFWSA-N	404.919	5.394	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)c(C)c1	519899560	TVCVFFAFFJTGHR-OAHLLOKOSA-N	401.413	5.331	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3Cc3ccc(F)cc3)cc2)nc1	520353118	ZQHKKCWCQZHBCS-JOCHJYFZSA-N	415.468	5.122	30	20	HKED	
CC(C)c1nc(CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cs1	521117170	ASWGGJWNGUETOV-UHFFFAOYSA-N	405.523	5.097	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1-c1ccccc1	521726112	LYWTYIVBFYOHEV-GOSISDBHSA-N	402.519	5.765	30	20	HKED	
N#CC1(C(=O)NC[C@@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CCC1	522875998	MEJIBQXPRJYIEQ-QHCPKHFHSA-N	419.528	5.777	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1	523094993	DOJVQLSHUCAWLR-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1	524279665	MYBCLDCLQPICPW-UHFFFAOYSA-N	406.404	5.106	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	524385602	ICIJYRMLGKASKN-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	525133100	FZUIGXHPXYMFJZ-JLZZUVOBSA-N	405.350	6.130	30	20	HKED	
C=CCCO[C@@H](C)c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	533743477	WHJIEEAXEBVIPF-HNNXBMFYSA-N	404.495	5.576	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(-c3ccccc3)cnc2C)cc1	534089685	RMDBAIFFBSOVQB-UHFFFAOYSA-N	401.470	5.009	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc3ccc(F)cc3c2)cc1	536123070	LXQYOYIEDLFXJV-UHFFFAOYSA-N	411.436	5.271	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](c2cccnc2)C2CC2)cc1OCC	536163309	OQXLLAUGXJAILF-FQEVSTJZSA-N	417.347	5.049	30	20	HKED	
C[C@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(C#N)c(F)c1	538509480	WIYCIPXIJYEEJX-HNNXBMFYSA-N	405.439	5.031	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CCCO)CC2)cc1Cl	541085273	BIBKQFQMJSPONN-OAQYLSRUSA-N	411.933	5.012	30	20	HKED	
N#CCCN(C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1	554494809	JTZNTEAUINTVDC-JWQCQUIFSA-N	414.480	5.455	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1NC(=O)Nc1ccccc1	555082297	VQVWWBATOAWVSN-UHFFFAOYSA-N	415.497	5.320	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](CC(F)(F)F)C1	579499211	GEVKRVJBUURFHA-INIZCTEOSA-N	410.509	5.234	30	20	HKED	
COc1ccc(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1OCCCC#N	581852143	SUGXCDFPZWQOOO-UHFFFAOYSA-N	421.516	5.378	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	582084533	VBSIQVGLAKSDJZ-UHFFFAOYSA-N	415.468	5.174	30	20	HKED	
CC1CCN(Cc2ccc(-c3noc(C[C@@H](CC#N)c4ccccc4)n3)cc2)CC1	589090115	DOVDJONUBNSUKE-HSZRJFAPSA-N	400.526	5.208	30	20	HKED	
N#C[C@H](C(=O)c1occc1CSc1ccccc1)c1nc2cc(F)ccc2s1	592974039	MQHWBGIZXOJXBG-MRXNPFEDSA-N	408.479	5.811	30	20	HKED	
COc1cccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2-c2ccccc2)c1	604044398	KWBUNSBGGJMYNQ-QFIPXVFZSA-N	412.518	5.170	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	604084852	DQBQUAKHFXFFMQ-UHFFFAOYSA-N	400.526	5.689	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc1	608994194	GWHAZJCNADZTPN-HXUWFJFHSA-N	415.459	6.266	30	20	HKED	
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	609451411	GQPBZJBDCDTQAJ-KSFYIVLOSA-N	419.912	5.926	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)c2)c1	609643646	VBKZDOLLVGSKFX-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CN(CCOc1ccccc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609723383	LZPFOKNOGUUHQR-UHFFFAOYSA-N	406.869	5.155	30	20	HKED	
C[C@@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	609989453	DQKWOIGAHMXTCS-YVEFUNNKSA-N	414.349	5.599	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(COC3CCCC3)cc2)c1	610095332	NJLRMDFWWPAOGQ-UHFFFAOYSA-N	401.413	5.263	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1	610323906	BXOLLXDIXXSFEU-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
CCc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1CC(C)C	611139479	XHUUKIYTMMDPCD-UHFFFAOYSA-N	418.566	5.518	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCCOc1ccccc1)c1ccc2ccccc2n1	613291089	TVPCWPCBVXCIEY-QFIPXVFZSA-N	408.457	5.183	30	20	HKED	
C=CCn1c(S[C@H](C)c2c(F)cccc2F)nnc1[C@@H]1COc2ccccc2O1	613908493	UXELMQZMPGVHJB-ACJLOTCBSA-N	415.465	5.108	30	20	HKED	
Cc1[nH]c2ccccc2c1C=Nn1c(S)nnc1COc1ccc(C(C)(C)C)cc1	725792070	UBVVIQKTAZKBBW-UHFFFAOYSA-N	419.554	5.115	30	20	HKED	
CC(C)c1nc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cs1	726695574	HMIQZHYDQKJTJT-NRFANRHFSA-N	404.539	5.286	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(C)c4)CCCC3)n2)cc1	726860197	SSPVHAWQOIINKJ-OAQYLSRUSA-N	416.546	5.815	30	20	HKED	
C#CC[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1	727772577	BLEVVBXHNCRURJ-GOSISDBHSA-N	417.317	5.362	30	20	HKED	
Cc1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN(C)[C@@H](C)CC#N)c1=S	728903562	DBIDURLXHRJDNY-INIZCTEOSA-N	411.962	5.224	30	20	HKED	
C#Cc1ccc(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cn1	728937763	QUNKGJLPAXZQOL-INIZCTEOSA-N	415.880	5.032	30	20	HKED	
Cc1ccc(NC(=O)[C@H](OC(=O)c2cc3ccccc3n2CC#N)c2ccccc2)cc1	729767288	BSRZBUVPWASDPF-XMMPIXPASA-N	423.472	5.010	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1	729877829	QGGYOGUITFMBAK-JWQCQUIFSA-N	411.505	5.338	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)cc1	730208787	JVWZFUMKSMXPPM-UHFFFAOYSA-N	423.875	5.706	30	20	HKED	
Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@@H](c1ccc(O[C@H](C)C#N)cc1)N2	731301260	LNMBYQSEALYAOP-CLOONOSVSA-N	411.505	5.095	30	20	HKED	
CCc1nc([C@H](C)/N=C\c2cc(Br)cc(Br)c2O)cs1	731938642	WDARIGJRXHTESF-SVYKRQNUSA-N	418.154	5.116	30	20	HKED	
C=CC[C@H](NC(=O)NCc1ccc(OCc2cccc(C)c2)cc1)c1ccncc1	734659210	RJYLSERSEAGMBD-DEOSSOPVSA-N	401.510	5.086	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccncc1	734660176	MBMTZZIJLBEMII-JTSKRJEESA-N	405.473	5.691	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	739156513	YRRKOZXGGMOSGD-LIRRHRJNSA-N	416.493	5.405	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(OC(F)F)c(Cl)c1	741840659	BGUBVODLMSLRAW-FNORWQNLSA-N	400.780	5.002	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c1	743610312	CIKOUIUJNDAMME-SFPRVHAESA-N	411.933	5.217	30	20	HKED	
COc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1SC(F)(F)F	743846485	MAHXQDIQBFDMKU-UHFFFAOYSA-N	422.472	5.222	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)o2)cc1	744027670	AZADGNPMUFYTNU-OAQYLSRUSA-N	408.457	5.623	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@H](c2ccccc2)c2ccncc2)cc1OC	744963017	RZJPUCVUJXHBPP-BAQZZCKXSA-N	401.462	5.001	30	20	HKED	
COc1ccc(C=NNc2nc(Cl)c(Cl)cc2Cl)cc1OCCCC#N	747357759	UQZMTBYHEJGFCW-UHFFFAOYSA-N	413.692	5.179	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)[C@@H](C)C2)cc1C	747972397	YVSPEVVQGOMBDJ-XLIONFOSSA-N	422.598	5.298	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(/C)c3cccc(OC)c3)n2)cc1	751830840	ILUOAMORHUFKEK-HFZJLKNISA-N	404.491	5.107	30	20	HKED	
N#Cc1ccccc1/C=C(/Cl)c1nc(O)c2c(-c3ccccc3Cl)csc2n1	755580905	IRIKPHWUQREOSG-RQZCQDPDSA-N	424.312	6.326	30	20	HKED	
COc1cc(Cl)c(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)cc1Cl	758024422	DVLAGPBUOLMULV-NSCUHMNNSA-N	400.308	5.004	30	20	HKED	
COCCC1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCC1	761048040	KYTKGIHBQCUUTM-AWEZNQCLSA-N	409.338	5.500	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccnc(OCC(F)(F)F)c2)cc1	764932225	ZQBLGDNKVYVJHS-CQSZACIVSA-N	400.828	5.005	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)/C=C\c1ccccc1C#N	766568675	FGNYENMEXZJNGX-XFXZXTDPSA-N	415.880	5.424	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)c3cccc(COC4CCOCC4)c3)cc2)cc1	768167388	JIJLPTZXTJRRKN-UHFFFAOYSA-N	413.473	5.140	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc2cccnc12)c1nc(-c2ccc(Cl)cc2)cs1	772641094	OSZDQIYMQDSNRY-SFHVURJKSA-N	403.894	5.431	30	20	HKED	
COCCc1nc(C)c([C@@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)s1	773915413	SLJUQNWSDAUGQV-MRXNPFEDSA-N	422.506	5.222	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COc2cccc(F)c2)c1	780486709	ZUUQUMOIXBTFFM-INIZCTEOSA-N	405.429	5.340	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1	784471729	KZORJBVACRIPAY-NRFANRHFSA-N	419.916	5.329	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1	786131586	IRULWDKHHKWPDF-YADARESESA-N	411.505	5.351	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1sc(C2CCCCC2)nc1C)c1ccccc1	787038621	OKTJUBKYVABBPQ-MOPGFXCFSA-N	409.555	5.089	30	20	HKED	
N#C[C@@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	802045527	OGYIHDDGUVOLBT-SWLSCSKDSA-N	412.795	5.856	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cn3ccccc3n2)cs1	806555790	YALLKZMNONDTJW-JXMROGBWSA-N	422.897	5.025	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Cl)c(F)c2)cc(OC)c1OCC(F)F	809158378	SSFKRVGQXMDQHV-ZZXKWVIFSA-N	400.780	5.036	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccccc1Br	812462693	SISRXMHGGBHIFU-UHFFFAOYSA-N	403.711	5.102	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2F)cc(C)c1OCc1ccccn1	821003152	UWRQJRRKXUFPST-RMKNXTFCSA-N	406.413	5.221	30	20	HKED	
CCOc1ccccc1OCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915085874	GBHCPPSYVPXNAB-QHCPKHFHSA-N	414.505	5.538	30	20	HKED	
COc1cccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	916026338	YMVKJBYQPGNFIO-UHFFFAOYSA-N	403.507	5.149	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2ccccc2s1	916846475	WPPNYUVYOYJPNQ-TZIWHRDSSA-N	424.481	5.241	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3cccs3)nc2C)cc1	916914680	RBPHJNULZOQDCL-KRWDZBQOSA-N	423.563	5.484	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C	920105936	NWRDINIAVCGNLQ-JPYJTQIMSA-N	423.516	5.709	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccc(C(C)C)cc3)n2)cc1	920139075	NBCLNJIXKOBIRN-FQEVSTJZSA-N	422.575	5.911	30	20	HKED	
CCCCOc1ncccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	920783607	PUCUZZGGJAJJKP-QHCPKHFHSA-N	414.509	5.238	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C)C2CCC(CC)CC2)c1=S	921046806	SKDNQSLFIGJCNC-UHFFFAOYSA-N	400.592	5.134	30	20	HKED	
CCc1ccc(N(Cc2ccc(C)s2)C(=O)c2cc(C#N)c(SC)nc2O)cc1	1533397482	MUYJQHQHZBUVNV-UHFFFAOYSA-N	423.563	5.160	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(C)(C)CC1	1800227430	CPCUXAYWGGOUDO-WKCHPHFGSA-N	402.623	5.224	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1	1821925965	FDYFLXCWNFKEJZ-IWFBPKFRSA-N	414.594	5.076	30	20	HKED	
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2ccc(CC#N)cc2)c1	15030227	HTUVSBKIKULSOQ-UHFFFAOYSA-N	422.488	5.175	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cccc(CC)c2)cc1	15247780	NHOJZZREKCTBQN-UHFFFAOYSA-O	403.571	5.540	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1Cl	16095856	QFVBSYXTDHYSOF-KRWDZBQOSA-N	417.317	5.450	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)N[C@H](C)c1ccc2ccccc2c1	56199496	YIUZDGSJGRVFGY-RTBURBONSA-N	401.510	5.200	30	20	HKED	
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSCc1cccc2ccccc12	58485904	WEIDGYGKLXVEQE-UHFFFAOYSA-N	421.566	5.038	30	20	HKED	
C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccc4ccccc4c3)nnc12	59833206	BIVIUWZMRWBCTM-INIZCTEOSA-N	412.518	5.237	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)CSCc2ccc(C#N)cc2)cc1	107761557	XBRVRDDTAFDMLU-UHFFFAOYSA-N	418.518	5.621	30	20	HKED	
C[C@@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)N(CCC#N)c1ccccc1	195545337	PBMIZJBBLVJHFO-OAHLLOKOSA-N	411.527	5.377	30	20	HKED	
COc1ccc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)cc1OCCCC#N	237365049	LQPIPMNQKLTUPW-SFHVURJKSA-N	405.325	5.462	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1C	301759748	HDFUFXCKTUPWSP-INIZCTEOSA-N	412.898	5.279	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	303374219	KIGLXOYXTFGEMF-ROUUACIJSA-N	410.587	5.189	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	303833197	KTUOWPNLTONMQG-UHFFFAOYSA-N	405.420	5.388	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC(F)(F)C1	409940827	DGFKLBHMVNCDAQ-DGCLKSJQSA-N	403.313	5.641	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)s1	430589552	DWTJCUHSQFNWOS-ZDUSSCGKSA-N	405.445	5.448	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)s1	430617670	ODRFXWYNTSVLTH-GOSISDBHSA-N	409.555	5.449	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N[C@@H](c1cc(F)ccc1F)C(F)F	433555682	QPHXGFRHGRPTPJ-HNNXBMFYSA-N	408.317	5.588	30	20	HKED	
COc1cc(CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1Cl	435039166	BPRSLOOUNVWXDO-UHFFFAOYSA-N	421.884	5.287	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)cc1C(F)(F)F	438635145	GOHAHDHUESRIFP-AWEZNQCLSA-N	405.445	5.223	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc3cc(OC)ccc3c2)nnc1-c1cccnc1	439268097	SZTGWYKLNFXNKT-MRXNPFEDSA-N	402.523	5.541	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NCC(=O)NCc2cccc(C#N)c2)cc1	439554398	YNIIVOPBDCQUOB-GOSISDBHSA-N	401.535	5.140	30	20	HKED	
CCCc1c(NC(=O)N(C)Cc2cccc(Cl)c2)cnn1-c1cccc(C#N)c1	439700882	HRNBCYJIUUJYGS-UHFFFAOYSA-N	407.905	5.014	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2sccc2Br)cs1	439858780	XTYJOIUBFOYGGL-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)c(F)c1	443149413	WTNBKQLIDQONIY-CYBMUJFWSA-N	408.951	5.745	30	20	HKED	
C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nc(-c2ccccc2)cs1	444172158	ADOATUFJFJYEPF-QGZVFWFLSA-N	414.534	5.560	30	20	HKED	
CCCCCc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	446512775	PUNHTIHVVACVAI-QGZVFWFLSA-N	409.555	5.248	30	20	HKED	
O=C(Nc1cc(Cl)ccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1F	448549511	AEDMLPMHWUEYHC-UHFFFAOYSA-N	401.665	5.649	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	460566089	QFDSMOUJVZGZEO-ZWKOTPCHSA-N	407.345	5.354	30	20	HKED	
N#CCCSc1ccccc1NCc1cc(Br)ccc1OC(F)F	462222097	BVAZSXWPICDQME-UHFFFAOYSA-N	413.287	5.668	30	20	HKED	
COCCOc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(C)c1	464924144	BYQUHMPOUAUVCP-UHFFFAOYSA-N	416.477	5.245	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)c1cccc(F)c1	468745589	BYUKMDPIKIRPPG-INIZCTEOSA-N	402.425	5.337	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469745282	PLRODBUPJUNPCB-MLGOLLRUSA-N	409.370	5.226	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2	471250278	KHRWOYWIARWPDY-UHFFFAOYSA-N	421.541	5.068	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	471977381	LUEXWXFJOMZJGB-WMLDXEAASA-N	419.472	5.317	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COc2ccccc2)c1C	472836181	TWWPHSXPUNVFOE-UHFFFAOYSA-N	411.505	5.666	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	474512121	CWOZHJRARQRVGG-QHCPKHFHSA-N	418.928	5.316	30	20	HKED	
CCCOc1cc(OC)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	474970903	NCLNBXFJZPJJLT-IBGZPJMESA-N	422.506	5.106	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C[C@H](CC#N)c2ccccc2)cc1	475253374	FUBGXCVNTPBQNI-DHLKQENFSA-N	416.496	5.322	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-]	476110041	NKGHKBCFVIRUOI-CQSZACIVSA-N	402.878	5.506	30	20	HKED	
C[C@@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccc(C#N)cc1	476325843	SHIFTLJOYJUDBR-ZHRRBRCNSA-N	417.488	5.085	30	20	HKED	
CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)o1	481270790	BFXIKHZRTXDADS-FOIQADDNSA-N	421.476	5.044	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cc(Cl)sc3[nH]2)cc1	485983308	UGRGJOFVKIAUPH-UHFFFAOYSA-N	421.909	5.780	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1	486225649	LGRSQGWCONNGLY-UHFFFAOYSA-N	407.495	5.056	30	20	HKED	
C[C@@H]1CSCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	486256445	LPASOGODVFYNQE-AWEZNQCLSA-N	401.919	5.221	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1ncnc2c1cnn2-c1ccc(F)cc1	488590965	FFVWNXRXYMHKQB-UHFFFAOYSA-N	403.486	5.048	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1ccccc1	488978404	KBTCNQCOGZLJHW-QHCPKHFHSA-N	421.518	5.181	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1	489877729	ZXWGNYPOBDKGID-GOSISDBHSA-N	417.484	5.179	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@@H]34)c2)cc1	494245604	SSVSZTHEOLWJIW-JIMJEQGWSA-N	423.516	5.039	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc([C@H]2CCCOC2)c1	499503078	ZJIKIGJVGMGQRB-QFIPXVFZSA-N	412.489	5.805	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CSc1cccc(Br)c1	499709354	AAYMORGTKJBXTK-UHFFFAOYSA-N	407.358	5.186	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21	501571725	VXYIGSHCCATPKE-HXUWFJFHSA-N	416.953	5.119	30	20	HKED	
C[C@@H](Cc1cccs1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	502990323	OBRWOAPPGVKRRB-YWZLYKJASA-N	409.942	5.810	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)cc1	503744353	DSRJDUFDCIPGLN-UHFFFAOYSA-N	416.706	5.295	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)nn1CCC#N	504130656	MFMLEQYESFQIPH-UHFFFAOYSA-N	415.280	5.457	30	20	HKED	
N#C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1	505975923	IMBMNNIRLUYBNR-CVEARBPZSA-N	400.322	5.122	30	20	HKED	
Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510023244	KQZHJSWNFAJHNZ-NZQKXSOJSA-N	418.928	5.703	30	20	HKED	
Cc1ccc(-n2c(SCc3cn4ccccc4c3C#N)nnc2-c2ccncc2)cc1	514488139	ZLQPFHKQYDZNOE-UHFFFAOYSA-N	422.517	5.054	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccccc2)cs1	515542913	HLYXUGIAPPNQNG-INIZCTEOSA-N	404.878	6.214	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCOCCc1ccccc1	515689974	SEVZPHPCHGRDAR-UHFFFAOYSA-N	416.546	5.089	30	20	HKED	
C[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1ccc(C#N)cc1	522822761	QRJIKYTUPOSLOG-OAHLLOKOSA-N	409.946	5.246	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1	523877080	FYBWOINKNKVZND-UHFFFAOYSA-N	419.893	5.678	30	20	HKED	
Cc1ccc2[nH]c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2c1C	523978091	XNFSNHYDNQLMIZ-UHFFFAOYSA-N	419.535	5.053	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)n1	524254086	MCZNOVNVFIBEIH-MRXNPFEDSA-N	402.306	5.420	30	20	HKED	
Cc1csc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1	524438870	ZOBUAFIUIMYYJE-INIZCTEOSA-N	406.511	5.093	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)cc1OCCCC#N	530631009	GXKAWVNDRWVAQC-LJQANCHMSA-N	401.510	5.291	30	20	HKED	
Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cccc1-c1ccccn1	533656801	PCVTVNSXSZBHGJ-UHFFFAOYSA-N	410.502	5.228	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)sc1Br	534693360	UVZGNZLTCGUABL-LLVKDONJSA-N	419.325	5.133	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1-c1cccc(C)c1	536019929	ZJOOKJZXCNQHNV-UHFFFAOYSA-N	402.523	5.695	30	20	HKED	
N#CC1(c2ccc(-c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)cc2)CC1	537425635	OPYARTSSBXKDEF-UHFFFAOYSA-N	417.472	5.357	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)c1ccc(Cl)cc1	537469830	GSQSCMRDNHPFGG-CABCVRRESA-N	400.931	5.439	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@H](C)C1	538161300	NLHKHNUPUWGHPV-WPSZSDGUSA-N	400.526	5.574	30	20	HKED	
C[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(-c2cccc(C#N)c2)cc1	542001033	VUVUWNMDZASVMJ-FOIQADDNSA-N	403.507	5.024	30	20	HKED	
O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1C(F)(F)F	543084995	SIGHNTRDQPVNBB-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2ccc(-c3ccc(Br)s3)s2)n1	543854590	MQCSCMOARHLFFP-UHFFFAOYSA-N	421.345	5.140	30	20	HKED	
Cn1cc(C#N)cc1-c1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	545131976	LIHLTCNWWCLTTJ-UHFFFAOYSA-N	412.236	5.108	30	20	HKED	
C=C(C)Cn1c(SCc2nc([C@H](C)c3cccs3)no2)nnc1-c1ccco1	547160804	NLWLFPSEYCBMQQ-CYBMUJFWSA-N	413.528	5.003	30	20	HKED	
Cc1cc(-c2noc([C@@H](C)NC(=O)c3sc4ccc(C#N)cc4c3C)n2)ccc1F	551621346	JFTOMKADAQPOEJ-CYBMUJFWSA-N	420.469	5.070	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	554210797	AFBCWJGPOKWHQD-SFHVURJKSA-N	411.575	5.468	30	20	HKED	
CSc1ccc(-c2csc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)n2)cc1	555967682	SMFLCDHHWXRKDY-UHFFFAOYSA-N	420.441	5.070	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	557519838	SXCGTEKZEBAZJG-UHFFFAOYSA-N	401.441	5.710	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1	561127714	WODPTRMLKQSPBZ-DYESRHJHSA-N	402.416	5.240	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2sccc2[C@@H]1CC	564383973	FOGUWDPRDOHZTB-VCOUNFBDSA-N	420.582	5.285	30	20	HKED	
CC(C)(c1noc(C[C@@H](CC#N)c2ccccc2)n1)c1ccccc1Br	577667067	ZGHPSDIWIVXYRY-MRXNPFEDSA-N	410.315	5.398	30	20	HKED	
C=CCOc1ccccc1-c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1	578281832	JEGAPCQDFMGOMK-UHFFFAOYSA-N	413.355	5.642	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Oc2cccnc2)cc1	581333716	SKIRXUMLYHFHKT-MRXNPFEDSA-N	403.486	5.185	30	20	HKED	
C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC(OC2CCCC2)CC1	582558927	IYQNMXRMXZZGGV-UHFFFAOYSA-N	414.981	5.026	30	20	HKED	
N#C[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1Cl	595471241	MJNDVHWDFNEDBA-LJQANCHMSA-N	411.288	5.491	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OC(F)F)cc1Cl	603758756	FVWDLGNWKQPGCH-GOSISDBHSA-N	412.823	5.849	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(SCc2ccccc2)cc1	608882136	FNWMTPBMDBRGJN-UHFFFAOYSA-N	403.507	5.309	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc(OCc2ccccc2)cc1	609028570	FUGXKKOSUPJXLI-OAQYLSRUSA-N	412.823	5.192	30	20	HKED	
CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	609047298	XVPORXIJLLVUER-HSZRJFAPSA-N	413.521	5.474	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)c1	609064999	QULVLZYXCZPBCG-UHFFFAOYSA-N	403.290	5.758	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C	609387121	NTURXSOJWYUSDY-OAHLLOKOSA-N	421.488	5.767	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H]2OCCc3ccccc32)c1	609724761	JWQQYVSELNKMCH-QHCPKHFHSA-N	418.880	5.048	30	20	HKED	
C=CCCCN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1	609908597	HZTXTRMZSMMTNV-UHFFFAOYSA-N	404.850	5.087	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CC#N)C3CCCC3)cc12	609976673	TYNZCVZZWHLKCS-UHFFFAOYSA-N	412.946	5.016	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@H](Oc1ccccc1C#N)C(C)C	610191307	KDOOUUARTNUUNB-RUZDIDTESA-N	413.521	5.072	30	20	HKED	
CC(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1	618547574	UOKVBBYWDOBJPS-YDHLFZDLSA-N	414.365	5.295	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2ccnc(Oc3ccccc3F)c2)c(Cl)c1	618885840	RFIZEVUCKOKWJT-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
COc1cc(Cl)ccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	620847320	UCLMKJZGRFNOOE-LBPRGKRZSA-N	410.804	5.467	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2ccccc2)cs1	622977742	WKLKGWYKTGRIIO-OAHLLOKOSA-N	421.934	6.077	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	675740135	MECBCZCWQMIAHB-FJMBMBQISA-N	415.393	5.321	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(Cl)c1F	680621026	HFVUFXMMERLJQI-JIGDXULJSA-N	409.704	5.258	30	20	HKED	
Fc1ccc(-n2nccc2CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	684367531	QYFUVHAKEBMXKN-RYUDHWBXSA-N	409.349	5.011	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)s1	684676103	UUWHKIKIUCNYQX-GFCCVEGCSA-N	417.506	5.992	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl	726461842	YZRCXOJREHCVGX-FQEVSTJZSA-N	402.910	5.676	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1	726904748	QEVLNYWOIPBBOV-UHFFFAOYSA-N	410.886	5.216	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C(/C)c1ccccc1Cl	727627626	OGGWOMKXMGUCIC-HMVFGEFZSA-N	417.292	5.061	30	20	HKED	
COC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	728468221	IAGDAQIISCAVET-UHFFFAOYSA-N	421.840	5.435	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1nc2ccccc2s1	730071389	LNVLZBLICPMMLR-AOMKIAJQSA-N	418.518	6.145	30	20	HKED	
COCCOc1ccc(/C=C2/CCc3nc(-c4ccc(OC)cc4)sc3C2=O)cc1	730465108	XVCLXRMIWSUNQK-SDXDJHTJSA-N	421.518	5.056	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	733034083	VBDQZPFBAXYQIL-IFXJQAMLSA-N	401.482	5.728	30	20	HKED	
CC(C)(C)c1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	734082065	WTUQWWAGMTUAHT-HXUWFJFHSA-N	403.551	5.702	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2s1	734209877	GDIQORYGZQCWDB-HNNXBMFYSA-N	414.490	5.843	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1)c1ccncc1	734657185	DDPITDWHGUUFSO-UTKZUKDTSA-N	409.530	5.089	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)c1ccncc1	734678163	FDCZCISSDUJCOK-RTBURBONSA-N	400.320	5.008	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2cc(F)ccc2F)c2ccccc2)cc1Cl	734983526	KLSYGLUOOUAQLZ-UHFFFAOYSA-N	413.880	5.893	30	20	HKED	
CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	735040734	SDLLKGZFANLCHP-OAQYLSRUSA-N	422.916	5.045	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	741918627	IJONIFJSXYXXJQ-UHFFFAOYSA-N	413.292	6.181	30	20	HKED	
C#CCOc1ccc(CN[C@H](c2ccc(OC)c(OC)c2)c2ccccc2Cl)cc1	742377330	KOGUHMWVEYFIKP-RUZDIDTESA-N	421.924	5.248	30	20	HKED	
CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	743096796	RCXHBUNJMGXRFO-UIOOFZCWSA-N	424.548	5.080	30	20	HKED	
CC(C)Oc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1Cl	743465897	RHGNZFWURFOKAL-OAHLLOKOSA-N	403.885	5.014	30	20	HKED	
CCn1c(-c2cccc(C)c2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S	746033117	NFGBFJHPGWUCBB-UHFFFAOYSA-N	405.571	5.149	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)cc1C#N	752795338	DWYZRBRNYDCTAV-CYBMUJFWSA-N	410.861	5.608	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccc4ccccc4c3)n2)cc1	753393952	AZJVXFGYONMVLM-OPAMFIHVSA-N	412.514	5.952	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759217532	SJKLJWJDWFTHDE-BYPUDFOVSA-N	400.290	5.402	30	20	HKED	
CCN(C(=O)CSCc1cc(Cl)ccc1OCC#N)[C@H](C)c1ccc(F)cc1	762815345	YDHLWGDAVQGCIB-OAHLLOKOSA-N	420.937	5.224	30	20	HKED	
CC(C)c1ccc([C@H]2CCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	764459378	OPDIMOVWCSRZOK-ISKFKSNPSA-N	424.548	5.574	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)cs1	766696991	ZIVCKSAQLTZUKR-GNKPEBMXSA-N	422.937	6.173	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)c1ccccc1	772626321	QZWMXYJRSKKXAE-DHIUTWEWSA-N	404.510	5.232	30	20	HKED	
Cc1sc2nc(/C(Cl)=C\c3ccc(C#N)cc3F)nc(O)c2c1-c1ccccc1	772796653	JEORNRYUPVOEFF-MHWRWJLKSA-N	421.884	6.120	30	20	HKED	
O=C1C/C(=C/c2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)c2ccccc2N1	774147257	YYTSQTGFORKEOP-VBKFSLOCSA-N	416.864	5.201	30	20	HKED	
C[C@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc(OCC#N)cc1	775586480	QAPKTFRIRJNIER-RNODOKPDSA-N	403.295	5.292	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)N[C@H](CCC#N)c3ccccc3)cccc21	779017124	HONRMAOUSOKENY-OAQYLSRUSA-N	419.525	5.149	30	20	HKED	
CCc1cnc(/C=C\C(=O)c2sc(/C=C\c3ncc(CC)s3)nc2C)s1	783705152	HVGKJHJKJXUPLT-JPDBVBESSA-N	401.582	5.556	30	20	HKED	
CC(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1Cl	786448756	VTMIBTMLCSCAIT-INIZCTEOSA-N	422.884	5.739	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C\c1cnc(-c3ccc(Br)cc3)s1)C2=O	788355278	GRKFHWDDJJOHEZ-OVCLIPMQSA-N	422.307	5.052	30	20	HKED	
C=CCOc1ccc(CN(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1Cl	789768958	JHHZAHIBZCZMPF-INIZCTEOSA-N	400.906	5.054	30	20	HKED	
N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1nccc2ccccc12	792093513	XGBIFKKYJKCMAU-HXUWFJFHSA-N	423.310	5.423	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc2c(c1)OCO2	796756719	OAFSOFBTTQVVKV-GXFFZTMASA-N	418.396	5.024	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cl)c3ncccc23)cc1	802041819	GJLLNHIIVSSLFL-KUHUBIRLSA-N	405.885	5.363	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1NC(=O)OC(C)(C)C	803317385	HHHUMUIAVYKPNK-UHFFFAOYSA-N	406.486	5.040	30	20	HKED	
C#C[C@H](NC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1)c1ccc(Cl)cc1F	806267937	PSCNQXHTCMZPLO-SFHVURJKSA-N	415.896	5.268	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)c3ccccc3n2)ccc1NC(=O)OC(C)(C)C	809075205	GBGDFTFOLYYJEC-UHFFFAOYSA-N	402.454	5.014	30	20	HKED	
Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(-c2ccccc2Cl)o1	821634637	PKLGQANIKVRFQV-UHFFFAOYSA-N	402.841	5.218	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1	914559911	XMDCPCOSHCJOJP-UHFFFAOYSA-N	422.945	5.079	30	20	HKED	
COc1ccccc1Nc1nc(Cl)c(C=NNCc2cccc3cccnc23)s1	915959031	FARSVDXVSQPUSZ-UHFFFAOYSA-N	423.929	5.221	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccc(OC(F)F)c2)cc(Br)c1O	916128960	LYNXPNLPYYDROI-SREVYHEPSA-N	413.214	5.051	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1C	916846171	JLUIPJJOUJHVBE-MRXNPFEDSA-N	418.547	5.067	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2CC3)cc1	916911807	VBZATELSJKRSGP-HXUWFJFHSA-N	400.503	5.037	30	20	HKED	
O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccccc1	10179073	LITKAVOIJSOUHD-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
COCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)oc2ccccc12	56469892	VKEOVWWMHWZENA-UHFFFAOYSA-N	412.445	5.804	30	20	HKED	
N#Cc1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)sc2c1CCCCC2	64868380	LXDRKVOXMWJPJC-UHFFFAOYSA-N	424.507	5.173	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2cc(C#N)ccc2[N+](=O)[O-])cc1	302233933	ZVEBSZZDAAEOAI-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cnc(-c2ccccc2)nc1	302897378	LKVRRRXEEQHQAK-UHFFFAOYSA-N	408.486	5.419	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cccc(-c2ncco2)c1C	432768088	KAMWMRUAKBRDKK-UHFFFAOYSA-N	424.460	6.266	30	20	HKED	
N#CCCC[C@@H](NCc1cc2c(cc1Br)OCCCO2)c1ccccc1	433022775	XKXNWSVZPJNGME-LJQANCHMSA-N	415.331	5.135	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1	433811010	NAQOCTPXHDEWJT-SIKLNZKXSA-N	402.523	5.422	30	20	HKED	
CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	433926333	KJSKTCIAIRHVKG-UYAOXDASSA-N	403.486	5.028	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1OC2	436351281	CQTPTALGFJAPSD-WOJBJXKFSA-N	400.503	5.219	30	20	HKED	
COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	437596398	XRLQCBWZRYEQOM-MRXNPFEDSA-N	419.456	5.189	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)cs1	437611319	CYXAZLYSJJHWNJ-RBBKRZOGSA-N	402.523	5.422	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1	437764811	PEGKAQPODRJRFE-YADARESESA-N	424.541	5.088	30	20	HKED	
CCOc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438647276	HORWLZHSERNYMQ-UHFFFAOYSA-N	419.456	5.552	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)c2)cc1	438660352	LDQDBCFXXYPFLH-UHFFFAOYSA-N	419.431	5.335	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1	438857774	AUCKVXMDMHFLNC-RXVVDRJESA-N	418.566	5.866	30	20	HKED	
COc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc(OC)c1C(C)C	444262645	BYJCJNKDXIIAGG-UHFFFAOYSA-N	405.498	5.338	30	20	HKED	
Cc1noc(C[C@@H](NCCC(C#N)(c2ccccc2)c2ccccc2)c2ccccc2)n1	444713732	HISHVUWDVIACFK-RUZDIDTESA-N	422.532	5.151	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1SCCc2ccccc21	463138957	FVTCZBIAPWTCTK-QHCPKHFHSA-N	400.503	5.628	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	463286947	WLYVFIWDTMYKBR-INIZCTEOSA-N	423.513	5.094	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1	464051039	ZFFPKSNYLWEWHW-UHFFFAOYSA-N	403.438	5.011	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464407687	PTPHQGWMKMIMSV-HXUWFJFHSA-N	421.378	5.041	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1	466339735	JRFUZKLGYKLKJV-HNNXBMFYSA-N	402.332	5.707	30	20	HKED	
N#Cc1cccc(SCc2nc(O)c3c(-c4ccccc4Cl)csc3n2)c1	468648321	OTFOSZPLXOMPLH-UHFFFAOYSA-N	409.923	5.881	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCCC[C@H]2c2ncon2)c1	469565100	JUQDYRAXDSWCSY-IBGZPJMESA-N	422.872	5.144	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C2)cc1	470565821	NHUWRMXRDFBIPC-WIYYLYMNSA-N	400.478	5.057	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	475002050	QHLVEWRPXJDBNT-QGZVFWFLSA-N	424.888	5.388	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccco1)c1ccccc1OC	475574813	XNYZSVKFBKIZQE-XMMPIXPASA-N	404.510	6.051	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(C2CCCC2)n1	477088017	KXWWFIXXGLGXCV-UHFFFAOYSA-N	408.449	5.275	30	20	HKED	
CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(C(F)(F)F)c1	477734831	WNCDRJWKKBETKV-UHFFFAOYSA-N	419.447	5.666	30	20	HKED	
Cc1c(-c2ccccc2)sc(NC(=O)NCC(C)(C)C#N)c1C(=O)N1CCCCC1	477965163	MEYIRDCVXGYXNL-UHFFFAOYSA-N	424.570	5.021	30	20	HKED	
C=C(C)[C@H](NCc1cnc2c(C)cc(Br)cn12)c1ccc(F)c(F)c1	479407574	FYASMZUUFNVYPX-SFHVURJKSA-N	406.274	5.090	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3C3CCC3)cc2Cl)c1	480351778	YDGCUEZIWHENHO-OAQYLSRUSA-N	409.917	5.587	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482454030	XJSXGDRYKVVIBF-AYBZRNKSSA-N	423.385	5.050	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483202856	RPYJWERGGHQWMU-LLVKDONJSA-N	410.911	5.267	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)ccc1OC	483652514	LEXFYQHDNXDVRA-KRWDZBQOSA-N	407.514	5.113	30	20	HKED	
CSc1cc(O)ccc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	486134066	DYSVWLVGNKHOKU-UHFFFAOYSA-N	405.479	5.731	30	20	HKED	
Cc1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(-c2ccccc2)s1	487784855	ULRPYKDJTBPCGA-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1Br	487986106	SYMPFMXJZZRMHT-UHFFFAOYSA-N	423.314	5.214	30	20	HKED	
O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)NC12CCC(C(F)(F)F)(CC1)CC2	488628105	MLFWUZYGSRASGI-JEYLPNPQSA-N	412.349	5.384	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1	502316389	JUNQXXUZGKDYJG-NRFANRHFSA-N	421.884	5.657	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)cc1	505118393	CNICFYQZFWNIGQ-QHCPKHFHSA-N	418.880	5.218	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)CC1	507162675	UBRBAEDXFIBNID-UHFFFAOYSA-N	420.900	5.838	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2cnn(C(C)C)c2n1	507934124	DDQVROSBGDTKSL-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510187951	VAGNSWQZTRDNNW-GOSISDBHSA-N	401.535	5.068	30	20	HKED	
COc1ccc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1Cl	510191830	RFXWAGFYGJTLRY-UHFFFAOYSA-N	409.898	5.013	30	20	HKED	
CSc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510215066	ZLBCCAFFAYGNQD-HNNXBMFYSA-N	405.548	5.461	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)ccc1OCC(F)(F)F	510345335	ZFECPCWNIQNRDS-LJQANCHMSA-N	417.431	5.128	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2occc2CSc2ccccc2)n1	511737540	XRFNUSLCYWGJFF-UHFFFAOYSA-N	418.453	5.021	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F	511912709	WGEZCMLQTCCKNI-AZUAARDMSA-N	401.432	5.055	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1	512718825	UDKRJURMCXXGRR-IBGZPJMESA-N	411.292	5.232	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(C(F)(F)F)cn1	513171503	QZDZSUPBBGQTIL-MRXNPFEDSA-N	422.366	5.036	30	20	HKED	
CCO[C@@H](c1noc(-c2cc(F)c(F)c(F)c2)n1)c1ccc(F)cc1C(F)(F)F	514891463	YWONDRYQGIANLI-OAHLLOKOSA-N	420.284	5.438	30	20	HKED	
CCCOc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	517399280	RMHKVDGMLOZLNC-UHFFFAOYSA-N	416.546	5.569	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc2ccccc2c1	518143341	FZMRPSDYGJOWLC-QGZVFWFLSA-N	402.519	5.693	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1	518579163	IOIZNFPMUAVDGP-UHFFFAOYSA-N	419.447	5.270	30	20	HKED	
COc1ccc(CC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1	518683111	IWEBMLFMIBBTKJ-GOSISDBHSA-N	423.582	5.434	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1OCC(C)C	518709018	GAHCLDREWJTFIU-MRXNPFEDSA-N	407.297	5.031	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1nnc(-c2ccccc2)o1	519515777	WGHXLRPTMJQVFM-MRXNPFEDSA-N	406.511	5.092	30	20	HKED	
C[C@H](c1cccs1)N(CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1	519904599	SEJMKZVSJIPVGP-HXUWFJFHSA-N	403.551	5.258	30	20	HKED	
C[C@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	520271421	LRZOJPGEBCYLGH-SJKOYZFVSA-N	414.349	5.599	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	520636179	RERLLOBSPIWECR-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Br)cc2Cl)c1	521093110	UCJWUIGZGUJJGK-UHFFFAOYSA-N	407.695	5.162	30	20	HKED	
CCCC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC)cc1	521257915	NKEXFMPYEJFUTR-YLJYHZDGSA-N	411.571	6.000	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C1CCCCC1	522332391	PJZKTEPCWXLDMY-DYESRHJHSA-N	421.570	5.170	30	20	HKED	
CCC(CC)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)on1	525547271	QQLKMBQHHZOFSC-UHFFFAOYSA-N	403.482	5.590	30	20	HKED	
COc1ccccc1-c1ccc(CN(CC(=O)Nc2sccc2C#N)C(C)C)cc1	532978358	DUEOZIXEJDXPLC-UHFFFAOYSA-N	419.550	5.144	30	20	HKED	
Cc1cc(Br)cc(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2	537585872	DZNWJEIHEFFWSC-UHFFFAOYSA-N	409.736	5.475	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl	538187551	JPOVBDFGUDBOJR-OPAMFIHVSA-N	415.990	5.517	30	20	HKED	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	538335816	NCNPBYZZMKGWSP-MWTRTKDXSA-N	420.509	5.355	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cccc(C[S@@](=O)C4CCCCC4)c3)cc2)CC1	540718694	VVWOCOPDKRJJJH-GDLZYMKVSA-N	406.551	5.075	30	20	HKED	
Cc1nc(COc2ccc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)no1	541089124	JJIRZVSZLJGLPJ-SFHVURJKSA-N	424.504	5.347	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)cc1	543037524	XXGONYAAWQGFBF-FBRRREGBSA-N	409.555	5.154	30	20	HKED	
C=CCCO[C@H](C)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	545613811	JMRFRXWJQYCDDB-GOSISDBHSA-N	417.509	5.180	30	20	HKED	
C=CCOc1ccc(/C=C/c2nc([C@@H](OC)c3ccccc3Cl)no2)cc1OC	546521457	SWIUEWWAKQFXQG-ACUNGTFPSA-N	412.873	5.203	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	552105712	DZYMFYDNVHPNBZ-UHFFFAOYSA-N	415.419	5.192	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1	552576939	XGFYKTUYJLPZKA-UHFFFAOYSA-N	410.905	5.023	30	20	HKED	
CO[C@H](c1ccc(F)cc1)c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1	555136060	MZDIVQZQLFNCFQ-OAQYLSRUSA-N	401.397	5.275	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)s2)o1	557299939	RPSZNKMUAWQQSC-CYBMUJFWSA-N	406.294	5.321	30	20	HKED	
COc1cc(C)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C)c1C	557984995	JUMNHLNETJBWBK-UHFFFAOYSA-N	400.478	5.323	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1	558743727	YWMAPXTUTSMHBL-CQSZACIVSA-N	410.930	5.204	30	20	HKED	
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	559861736	DGNVNMRNHRIMDG-LIRRHRJNSA-N	414.393	6.810	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)cc1	561397714	JUKURIQOYKZWSM-HJOGWXRNSA-N	414.553	5.359	30	20	HKED	
COc1cccc([C@H](N[C@@H]2CCc3ccc(C#N)cc32)c2cc(F)ccc2OC)c1	567524622	YHLNNRCRZSWOKB-NOZRDPDXSA-N	402.469	5.081	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[C@H]1[C@H]1CCCO1	568690562	FGLUUFLNOXFDPH-RTWAWAEBSA-N	410.901	5.034	30	20	HKED	
C[C@@H](NCc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccc(C#N)cc1	569112592	LTHROZPBMRJCSH-QGZVFWFLSA-N	400.913	5.460	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F	583841714	HNMVWBVPIRKKSW-WBVHZDCISA-N	421.488	5.624	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCSc1ccccc1Br	603737510	MLEAWJIRXKOSJP-UHFFFAOYSA-N	417.372	5.240	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2c1	603991646	FUWCDNFEWGWFOT-UHFFFAOYSA-N	409.514	5.803	30	20	HKED	
CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	604488068	LMMWWQRKVLLCAF-MRXNPFEDSA-N	402.454	5.027	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NCCc2cccc(Cl)c2Cl)c1	608804507	MDCFUSPEXXCAFY-UHFFFAOYSA-N	415.276	5.010	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NCC2(c3ccc(F)cc3)CCCC2)c1	608805428	WRCGBWKFRVILJY-UHFFFAOYSA-N	418.468	5.111	30	20	HKED	
CC1CCN(Cc2cccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)CC1	609078241	RSJVFFFYWNWJRY-UHFFFAOYSA-N	404.558	5.041	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1nc(O)c2ccc(C(F)(F)F)cc2n1	609384634	ATGPGZKPCVLSHM-GFCCVEGCSA-N	418.444	5.218	30	20	HKED	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	609386988	CCQIKMAQEHQGDA-RBSFLKMASA-N	413.509	5.016	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)CNc3ccccc3S[C@@H](C)CC#N)c2)cs1	609431758	LOZIILLEZPADHW-HNNXBMFYSA-N	422.579	5.563	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1	609434717	LFLMCEQPWCMRKU-HZPDHXFCSA-N	422.554	5.312	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)CC(C)(C)C	609439318	AWGBRQYOKRENBB-GOSISDBHSA-N	423.582	5.094	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccc(Cl)s2)on1)c1ccc(Cl)c(Cl)c1	609461027	OTTWRJANNDBSFU-GFCCVEGCSA-N	412.685	5.358	30	20	HKED	
COc1cccc(-c2nnc(S[C@@H](C#N)C3CCCCC3)n2Cc2ccco2)c1	609648669	NDJAQLNSIYVXPS-FQEVSTJZSA-N	408.527	5.160	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1cccc(CSC2CCCCC2)c1	609726176	MTYKEHKXZGQJCA-UHFFFAOYSA-N	410.539	5.150	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1	609729467	DQPGLHCQWWWSMF-HXUWFJFHSA-N	405.816	5.138	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Nc2ccccc2)c1	609820113	GFGLKZLIOLYMIZ-UHFFFAOYSA-N	420.472	6.050	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)c1sccc1C	609936559	MFEZHLDLWKFWAR-HSZRJFAPSA-N	415.562	5.610	30	20	HKED	
CCOC(=O)[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Br)cc1F	610087498	GGLAHMNLEHHYNJ-GOSISDBHSA-N	419.294	5.106	30	20	HKED	
C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1	610186301	BHFXKPGBCKFBNZ-FGSXEWAUSA-N	400.478	5.137	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	610632020	NAHUYUJDHLVELI-MSOLQXFVSA-N	423.385	5.644	30	20	HKED	
CCc1nc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2nc1CC	613402889	JTIFAPPSYGVMAB-CQSZACIVSA-N	420.925	5.508	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1	615925796	KTAIDFCGEFCGLO-UHFFFAOYSA-N	419.909	5.046	30	20	HKED	
O=C(Nc1ccc(F)c(Cl)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642398228	DXXZEGWGYWTPLB-MBTKJCJQSA-N	406.729	5.510	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(Br)c1)c1nc2cc(F)ccc2s1	677086504	WKNOLDWMMXZNCM-SNVBAGLBSA-N	409.667	5.341	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	682777389	RLMVSORGKJWGHC-QFIPXVFZSA-N	405.586	5.572	30	20	HKED	
O=C(CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	683195609	KYIMROAGMYYEOZ-RNEBZRLMSA-N	415.393	5.274	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727934847	MVGPNWDOPWOPIW-BJKOFHAPSA-N	411.505	5.720	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	727953543	CXCVVKJEAYNKSS-MRXNPFEDSA-N	420.683	5.018	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)c1	728480098	DBVVAFWPGIDGLT-GOSISDBHSA-N	418.566	5.043	30	20	HKED	
N#C[C@H](NC(=O)/C=C\Sc1ccccc1)c1ccc(OCc2ccccc2)cc1	729369667	JWWDUDDTDULYRP-VJVQGEDVSA-N	400.503	5.252	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2coc(-c3cccs3)n2)c1	729949252	BDLIAAKVOBQKAO-UHFFFAOYSA-N	404.516	5.222	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3sccc3SC(F)F)cc2)c1	730493669	LTTORZIAALXRMA-UHFFFAOYSA-N	416.474	5.766	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=S)Nc2ccc(Cl)cc2Cl)ccc1OC	733209438	SHMCDFIKPFQBKC-CQSZACIVSA-N	424.353	5.170	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)ccc1OC	733656118	ICIODMYPJKADAZ-NRFANRHFSA-N	423.557	5.015	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2c(-c3ccccc3)nc3sccn23)c1	733799548	UEFUYJXRCYWYSG-IBGZPJMESA-N	402.523	5.034	30	20	HKED	
N#C[C@H](COC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)Cc1ccc(F)cc1	734081416	LUNVPUIQYATYIA-MRXNPFEDSA-N	410.832	5.206	30	20	HKED	
O=C(/C=C/c1ccc(-c2cccs2)cc1F)c1ccc(N2CCC(O)CC2)cc1	734235300	KOGWFUDMHKLLIU-JXMROGBWSA-N	407.510	5.411	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	734706650	PRHJUDMWWXPSLA-NQIIRXRSSA-N	408.910	5.344	30	20	HKED	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cnccn2)cc1	734751668	WFQOJGHHNCLYPO-JLHYYAGUSA-N	410.477	5.013	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1cccc(C)c1	735230218	HBDOVZLODYQZAL-UHFFFAOYSA-N	410.930	5.288	30	20	HKED	
Cc1nc(-c2ccc(Cl)c(Cl)c2)n(Cc2cc(Cl)ccc2OCC#N)n1	735232758	BSUHONXWXVVGTR-UHFFFAOYSA-N	407.688	5.164	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccsc3)n2)COc2c(F)cc(Br)cc21	741470741	UJJJSOVDDBBMOT-XCVCLJGOSA-N	422.300	5.432	30	20	HKED	
N#C[C@H](C(=O)c1sccc1-c1ccc(F)cc1)c1nc2ccccc2n1C(F)F	744937179	BPTPMXHDUKIOTO-OAHLLOKOSA-N	411.408	5.789	30	20	HKED	
CCOC(=O)C1CCC(=NNc2ncnc3scc(-c4ccc(C)cc4)c23)CC1	750935393	RCPZQCCUNIDQHO-UHFFFAOYSA-N	408.527	5.188	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1	751005484	SUMKYRWHOOCVGI-RYRKJORJSA-N	415.584	5.262	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CON=C(c1ccccc1)C(F)(F)F	751964632	BYWUHRZDLFWTDP-AWEZNQCLSA-N	421.444	5.003	30	20	HKED	
C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753359383	IXWMKWGSUHGAMG-GFCCVEGCSA-N	401.249	5.367	30	20	HKED	
CCc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cnn1CC(C)C	756573323	PEFYVMXMMKIYFB-UHFFFAOYSA-N	404.539	5.053	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccccc2F)cc(Br)c1OC(F)F	757472877	ATBHQLSOVWLQQE-VOTSOKGWSA-N	401.178	5.094	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1CCc2ccccc2C1	760971038	XISPFHBDZBLJDB-QRWLVFNGSA-N	421.953	5.087	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c[nH]c3cccc(F)c23)c1	763358666	DRMFLERZEXMVKK-UHFFFAOYSA-N	423.517	5.080	30	20	HKED	
CC(=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl)c1ccc(C(C)(C)O)cc1	767357486	ABPHOKBXQWPTDR-UHFFFAOYSA-N	421.353	5.040	30	20	HKED	
C[C@H](NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccc(OCC#N)cc1	769688668	BSFAFRTVGCRNEL-PXNSSMCTSA-N	403.551	5.169	30	20	HKED	
N#C[C@@H]1C(CN2CCCC[C@@H]2c2cccc(Cl)c2)=CC(=O)n2c1nc1ccccc12	770002846	ZYPQPNJFAHTIFW-TZIWHRDSSA-N	416.912	5.104	30	20	HKED	
Fc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(C(F)(F)F)c1	771883778	BRPLTQMLTCCBIG-UHFFFAOYSA-N	414.815	5.264	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)[C@@H](C)c1ccc(C#N)cc1	772046775	MPSVBEMIBITOHJ-KRWDZBQOSA-N	407.514	5.437	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](c1cc(F)cc(Br)c1)C1CC1	775874355	BSRAQRJSZKCXHF-IBGZPJMESA-N	423.713	5.385	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CCC2	780521704	VIQAQCPQSDBAGH-IBGZPJMESA-N	404.495	5.315	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	780678802	XOEXXTYLWCVHMQ-GOSISDBHSA-N	406.530	5.068	30	20	HKED	
CC[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	781775126	ALXLUKFOXOSVAP-JGGQBBKZSA-N	423.365	5.888	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc1Cl	783757200	PCPYHJVXPPHKFG-CQSZACIVSA-N	405.779	5.080	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccc(OC(F)(F)F)cc1	789337721	YDNSKJGSJYEOOE-CQSZACIVSA-N	404.413	5.349	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1nc(Cl)ccc1F	791425813	DRXNVFHINJRGMW-UHFFFAOYSA-N	414.708	5.184	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1cnc2ccccc2n1	792099799	GVAFDPPARQQPLK-MRXNPFEDSA-N	418.909	5.190	30	20	HKED	
C[C@H](NC(=O)c1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1	793324873	NEAMKLXDPVPTNO-SIKLNZKXSA-N	411.505	5.204	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cnn(C2CCCC2)c1	794980912	HVCGHVFIBGPJHE-UHFFFAOYSA-N	414.435	5.310	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(-c3ccccc3Br)no2)cc1	795092378	BIIQHLVJRSXAAR-UHFFFAOYSA-N	410.271	5.158	30	20	HKED	
N#C[C@@H](C(=O)/C=C\Sc1cc(F)ccc1F)c1nc2ccccc2n1C(F)F	797943524	SAMWNPSCPVXQFB-KRZKBDHCSA-N	405.376	5.192	30	20	HKED	
C#C[C@H](NC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1F	805777033	YYNCLJSJFQSYAI-QWHCGFSZSA-N	419.831	5.079	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	806272893	MOKPNGYHDHDBGN-UHFFFAOYSA-N	417.896	5.260	30	20	HKED	
N#CCOc1ccccc1C(=O)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21	808848637	VCKYFJBDHZIYQJ-YJBOKZPZSA-N	411.299	5.038	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2ccc(-n3cnc4ccccc43)cc2)no1)c1ccccc1	809364270	WHZMFKTVQUUXLN-FQEVSTJZSA-N	405.461	5.315	30	20	HKED	
N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cc(C(F)(F)F)ccn1	813211886	SLQLBCZQXRQOKK-VIFPVBQESA-N	423.605	5.316	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)n1Cc1ccccn1	915200309	YHKPYTSJRQSXCD-AREMUKBSSA-N	420.516	5.456	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1	915352138	FMEDYTQGQGRGDL-UIOOFZCWSA-N	424.548	5.301	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNc1nncc2ccccc12	915909611	LXGYIIXWVCXTLC-UHFFFAOYSA-N	404.477	5.237	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)/C=C\c2cnc3ccccc3n2)cc1Cl	916057635	UWZNIEYKBRPFSV-JNSUZQQQSA-N	424.891	5.591	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)c1	916892055	XJGMYCCJMZSGRF-LBPRGKRZSA-N	419.289	5.178	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	916916243	QLZVFABCLUGVIK-MRXNPFEDSA-N	417.515	5.294	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	916975711	DSMHABNJQAUDBW-CQSZACIVSA-N	420.893	5.710	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916977307	PRFJKSZVUQMBJE-SJCJKPOMSA-N	417.317	5.761	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccccc2Cl)cs1	917532828	SUMYMKMEFKPXDP-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
N#C[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	918492115	MKUCDIKZKDDOKF-ZDUSSCGKSA-N	407.322	5.103	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1Cl)c1nc(-c2c(F)cccc2F)cs1	920804009	IIQIFJADKSNRKI-YXVBKTCISA-N	400.837	5.631	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cccnc34)cc2)CCC1	1788913064	JHRVKGCZVZELRY-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C)n3)CCC2)cc1	1789453240	QNICDUTVQPRRBK-FQEVSTJZSA-N	421.516	5.045	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C	1801828903	JLFPYGRNKUJUBT-KOUNCHBCSA-N	402.623	5.390	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1828829672	KXVFZVLPSDAGKQ-MVERNJQCSA-N	412.618	5.121	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1cccc(C)c1C	10167793	SNHNUFYXENCLAV-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C)c2)cc1	11269347	YZWGXHRJBBSDOE-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
O=C(Nc1ccccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F	24353875	YHLJCAMLBIVNGV-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CCN(C(=O)c1cccc(OCc2csc(C)n2)c1)[C@@H](C)c1ccc(C#N)cc1	45500499	JIBTWTVGEGDHBT-INIZCTEOSA-N	405.523	5.126	30	20	HKED	
C=C(Cl)CSc1nnc(COc2ccccc2-c2ccccc2)n1CCOC	58093365	HWTIHICGYFLVPL-UHFFFAOYSA-N	415.946	5.015	30	20	HKED	
C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	71944529	PMGWOHBSUWIQDS-HXUWFJFHSA-N	413.521	5.474	30	20	HKED	
C=CCn1c(SCc2csc(CCC(C)C)n2)nnc1-c1ccccc1OC	72039236	NEEFTLXPBBLURO-UHFFFAOYSA-N	414.600	5.477	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccc(C)cc2C)o1)[C@H](C)c1ccc(C#N)cc1	108878588	JYTMQGWBNSQZKD-LJQANCHMSA-N	402.494	5.570	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1Cc1ccccc1	303358077	GQTWZIFPCFCTAT-KRWDZBQOSA-N	403.551	5.657	30	20	HKED	
C#CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)cc1	303942849	XOMNXNCWDIETSN-UHFFFAOYSA-N	401.853	5.148	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c(F)c1	319303431	KGMASDHLQKHRBB-UHFFFAOYSA-N	406.013	5.158	30	20	HKED	
C=CCN(C(=O)c1ccc(OC2CCCC2)c(OC)c1)c1nc2c(s1)CCCC2	410141846	VLJJZGIJGABIMF-UHFFFAOYSA-N	412.555	5.185	30	20	HKED	
CC(C)CCOc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1	428620625	IBDKJUSRQLGCEL-UHFFFAOYSA-N	402.498	5.141	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433271584	GIGGPLITSUQHHU-SFHVURJKSA-N	400.320	5.568	30	20	HKED	
Cc1cc(-c2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c3cnn(C(C)C)c3n2)c(C)o1	434020404	FICMFESXAPHABB-OAQYLSRUSA-N	419.529	5.043	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1	435098229	XDFTYGKOMHDUPJ-JTSKRJEESA-N	406.530	5.038	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)s2)cc1	437156762	QATFXRXWRXFHJC-JKSUJKDBSA-N	422.476	5.096	30	20	HKED	
CCC(CC)c1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)on1	438063007	PAETZWNKMQDIPS-UHFFFAOYSA-N	404.470	5.564	30	20	HKED	
CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438648861	KHRWPWQTXXWCFC-UHFFFAOYSA-N	415.877	5.868	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c1	439753533	BAHUKAQDPYFTHI-UHFFFAOYSA-N	414.852	5.646	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1	442217689	BUQKXBPZMZIRNV-LJQANCHMSA-N	419.447	5.236	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Nc1ccccc1S[C@H](C)CC#N	444903892	ZAKDCZZJPDFULB-QAPCUYQASA-N	421.488	6.205	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1ccc(CC)o1	460545790	SGGJUPMOBYKVPP-IBGZPJMESA-N	422.529	5.035	30	20	HKED	
COc1cccc([C@@H](NC(=O)[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c1	462140826	NKDVMUDHVYOVGQ-WAIKUNEKSA-N	404.897	5.230	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C	463142743	FWWPQJLVYJPXGL-UHFFFAOYSA-N	401.388	5.108	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CCC(c2cccc(Cl)c2Cl)CC1	463366431	HIKITTZICJQESR-UHFFFAOYSA-N	408.354	5.135	30	20	HKED	
Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	464052757	RNLZEEJPRDNVEO-RPWUZVMVSA-N	414.505	5.447	30	20	HKED	
CSc1cccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1	464123791	VFMLOGBFQRVEPM-DEOSSOPVSA-N	422.500	5.397	30	20	HKED	
O=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F	465973792	RYKCZTPVWASOLG-OVGLSYRBSA-N	400.338	5.097	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cncc(-c3ccccc3)c2)cc1	466313291	VYBQAARXMDGUJN-UHFFFAOYSA-N	419.484	5.646	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)o1	466679609	KLQYCNYRVLTUPI-QFIPXVFZSA-N	402.450	5.067	30	20	HKED	
CC(C)(c1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1)C(F)(F)F	469367995	TXPOJHCQGHDGKP-UHFFFAOYSA-N	416.443	5.082	30	20	HKED	
O=C(c1ccccc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469743726	HDHBVIMGAMLWBC-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(-c2ccncc2)cc1	470020163	XDKUMJWFNGGOBA-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)n1	470271784	WXUXEPMVSXCWDP-IRLDBZIGSA-N	400.482	5.262	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n(C)n1	473951570	SAAHSZMZBVLMKR-ZDUSSCGKSA-N	419.337	5.464	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC=C(c2ccc(OCC)cc2)CC1	475561271	AYYAARMDIOWKTL-UHFFFAOYSA-N	404.554	6.258	30	20	HKED	
C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nnc1-c1ccccc1C	481390271	YGDISNGQZVUTIL-UHFFFAOYSA-N	417.481	5.342	30	20	HKED	
O=C(N[C@H]1CCCC(F)(F)C1)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F	482361749	DRCHARCJSDPRGH-CMPLNLGQSA-N	420.300	5.066	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc(Cl)c1OCC(C)C	483198912	MMCKBMAPKBTVOP-GOSISDBHSA-N	408.885	5.422	30	20	HKED	
CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	484666422	FPMYSSWRHXXTQB-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
COc1ccc(C(=O)N2CCCC2)cc1NCc1ccc(-c2ccccc2C#N)cc1	486166024	OVFYEUJNDZFLTO-UHFFFAOYSA-N	411.505	5.082	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC4CCOCC4)cc3)c2)cc1	486564296	TWAXOWDOAXAFRV-UHFFFAOYSA-N	413.477	5.194	30	20	HKED	
Cc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1NC(=O)c1cccs1	487177902	RIFJDRUUYJFZEM-NRFANRHFSA-N	417.534	5.474	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)c1ccccc1	487508236	ZDCSYPUAFGFHKO-MRXNPFEDSA-N	409.686	5.407	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1	487857638	PFTXSBKTDNIPOL-KDOFPFPSSA-N	408.468	5.130	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	488272900	ODJKILVDXUCJHN-DHIUTWEWSA-N	403.526	5.236	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)cc1	488694913	ZBAGAROCWPWFFE-ARNLJNQMSA-N	410.542	5.166	30	20	HKED	
C=CCC(C)(C)CNC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1	489977029	IXSYSDIUCVRPEP-UHFFFAOYSA-N	405.336	5.064	30	20	HKED	
O=C(CSc1cccc(C(F)(F)F)c1)Nc1cc(F)c(OC(F)F)cc1F	490281043	CETJRJGOBNZDQK-UHFFFAOYSA-N	413.314	5.316	30	20	HKED	
Cc1ccnc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(C)c12	490743639	NWSUMBDTHYQCLV-MRXNPFEDSA-N	414.515	5.398	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccccc1	490752739	ANUCUEQPZOSDSJ-PKOBYXMFSA-N	400.404	5.116	30	20	HKED	
N#C[C@H](NC(=O)c1ccnc(SCC(F)(F)F)c1)c1c(Cl)cccc1Cl	499838627	YKPFKNSIUWGEOU-LBPRGKRZSA-N	420.243	5.037	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F)c1cccc(Cl)c1Cl	505345791	UJKRTQXDHSXDPI-NFAWXSAZSA-N	411.235	5.079	30	20	HKED	
N#C[C@H](C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc(-c2c(F)cccc2F)cs1	505700433	JQROTSDNZSRTTN-IAGOWNOFSA-N	424.472	5.472	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505848914	BDPVIIWFPNOEOW-SNVBAGLBSA-N	404.326	5.400	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	513214316	GPRNCANCBPMCHF-UKRRQHHQSA-N	424.957	5.321	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1	513671080	GALBSSZIJWTQKT-HNNXBMFYSA-N	422.897	5.050	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2noc3c2CCCC3)cc1Cl	514109995	XVCSLLJTVCXIRF-LJQANCHMSA-N	420.900	5.184	30	20	HKED	
CC[C@@]1(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)OCCc2ccccc21	514818540	MWWKPLAGWXRZMQ-SBUREZEXSA-N	409.555	5.081	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c(C)c1	515774358	UCRAZKVIEUYCFP-HNNXBMFYSA-N	405.420	5.341	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1	516136347	GUVVWICSUNVAHE-UHFFFAOYSA-N	423.472	5.943	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1	517472721	AJFRXJPOIICZDY-UONOGXRCSA-N	402.589	5.575	30	20	HKED	
C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	521367593	BHKGOKOYPJOYAJ-IBGZPJMESA-N	406.530	5.127	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3CCCC[C@H]3C(F)(F)F)cc2)ccn1	521945423	SBLLXKWWJLPHMA-AUUYWEPGSA-N	418.419	5.236	30	20	HKED	
COc1cc(CSc2ncnc3sccc23)ccc1OCc1cccc(C#N)c1	522573316	NUZFWLNDELHGHN-UHFFFAOYSA-N	419.531	5.443	30	20	HKED	
Cc1ccc(OCc2nc(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)cc1	531210741	NCENGJBYGKKRKM-XZOQPEGZSA-N	403.551	5.302	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)c1cn(CCC#N)c2ccccc12	534476465	UBOLFNXZSFYOIQ-KRWDZBQOSA-N	408.571	5.319	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccncc2)s1)c1nc(-c2c(F)cccc2F)cs1	536438346	BDEKEVYIBGMVDR-GFCCVEGCSA-N	424.457	5.097	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NCc3nnc(-c4cccc(C#N)c4)o3)cc2)c1	537098938	BBUAOWWSAQNLDC-IBGZPJMESA-N	424.504	5.347	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(C4CCCCC4)n3)n2)cc1	538482429	UAAUTBQRRLTAQD-LJQANCHMSA-N	404.539	5.619	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1cccc(Cl)c1	538523028	BAPYBFDJZNWPSS-OAHLLOKOSA-N	410.930	5.481	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C	540409416	YTSFKFQZSYPUJS-JOCHJYFZSA-N	415.497	5.368	30	20	HKED	
C[C@H](CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nccs1	541418576	WHWDBFTYCVHMLS-CQSZACIVSA-N	411.914	5.336	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2sc(-c3ccccc3)nc2C)cc1	541438843	IHQIEMWJUHSFJU-UHFFFAOYSA-N	407.499	5.070	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2	542006088	YGIVKAIRFJIJLK-JTQLQIEISA-N	421.469	5.118	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	544247821	JZQPRIRJMDHIEB-WWMYMODYSA-N	409.555	5.562	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(F)(F)F	554763771	KIFLCYWSUXBNSG-CQSZACIVSA-N	403.404	5.084	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccccc2OC)n1)CC1CCCCC1	555687760	RKROXWVHEFQSNJ-UHFFFAOYSA-N	413.587	5.405	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1	557589141	VMSSPZDFUFCCQU-UHFFFAOYSA-N	417.505	5.007	30	20	HKED	
O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	567656525	CQZSVNJCCGYGRI-LBPRGKRZSA-N	411.292	5.135	30	20	HKED	
CC(C)c1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n(-c2ccccc2)n1	570090254	JNBYQRHSBHEWSZ-GMAHTHKFSA-N	413.525	5.299	30	20	HKED	
Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1SCCC#N	580337837	WTTXQFFCVASBRW-IBGZPJMESA-N	423.582	5.185	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc2cc(F)ccc2s1	592974589	UXWFGIZOCHVXSV-GFCCVEGCSA-N	413.886	5.702	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1	601687188	NKEJDNMBIOIBTG-UHFFFAOYSA-N	400.544	5.036	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccnc(Oc2ccccc2)c1	603672291	YWYQZKBOLKWSGF-UHFFFAOYSA-N	405.457	5.343	30	20	HKED	
COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCCC(C)C	608918269	DZKYNWCPTGFWEC-UHFFFAOYSA-N	423.557	5.112	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	609402048	YODHGRLFGGFJTP-SFHVURJKSA-N	406.555	5.500	30	20	HKED	
Cc1nc2ccccc2n1Cc1cc(NC(=O)C2(C#N)CCCCC2)ccc1Cl	609507295	BIPTZYKLMUOEKO-UHFFFAOYSA-N	406.917	5.459	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2)nc1	609516207	NJKLLKCIDUYRRJ-OAQYLSRUSA-N	403.869	5.376	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1	609723764	AKKJPBVSCVUZPO-IBGZPJMESA-N	423.944	5.094	30	20	HKED	
CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@@H](C)c1cccnc1	609724625	FNROUNFEDKUKKN-INIZCTEOSA-N	405.885	5.622	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4ccccc4F)CC3)cc2)c1	609929584	FPBIVEZKXFNXLU-UHFFFAOYSA-N	415.468	5.901	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(-c4ccoc4)n3)c2)cc1	609970585	TVFDZCOHPIMSDE-UHFFFAOYSA-N	401.447	5.248	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2cccc(F)c2[C@@H]1C	610017274	NFOXLUCDWRQINZ-KRWDZBQOSA-N	415.468	5.949	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OC(F)F	613404001	YNUMEJJYZJUCKW-NSHDSACASA-N	408.813	5.050	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	679236632	AIYZKCLSKIYIJN-QGZVFWFLSA-N	413.433	5.589	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(C(F)F)c2Cl)c1C(F)F	680404065	UWOCFYXIGSUTCJ-UHFFFAOYSA-N	417.712	5.703	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2sc(Br)cc2C1	682777335	KMKJMUXAGGDIQA-UHFFFAOYSA-N	419.388	5.953	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(SC(C)(C)C)cc1C	726080103	KUUADKLWJYWRFW-UHFFFAOYSA-N	411.571	5.438	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)NCc2ccccc2)sc1-c1cccc(Cl)c1	726732647	IJQKKGVVYHNCSE-SFHVURJKSA-N	408.910	5.016	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)NC2CCCCC2)sc1-c1cccc(Cl)c1	726733430	YJILJYRVMNHSLY-KRWDZBQOSA-N	400.931	5.148	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1cc(F)ccc1F	728062527	LTWZCDMVPNPFQH-MRXNPFEDSA-N	421.447	5.163	30	20	HKED	
CCCCCCN(C(=O)c1cc2ccccc2n1CC#N)c1nc2ccccc2s1	729648824	ZWBNWELQRWGTBU-UHFFFAOYSA-N	416.550	6.002	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1occc1-c1ccccc1	731064657	WDRAHYRPAGECBC-MRXNPFEDSA-N	420.490	5.136	30	20	HKED	
N#C[C@H](NC(=O)CCSc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1	731643067	CCFRGSCLMGVJCM-HNNXBMFYSA-N	422.362	5.466	30	20	HKED	
Cn1c(CC(=NOCc2cc(-c3ccccc3)no2)c2ccccc2)nc2ccccc21	731664368	LHUVNAXSJNLQKU-UHFFFAOYSA-N	422.488	5.392	30	20	HKED	
CCc1cccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c[nH]c12	731768563	PCFUTIKAVDTGQV-FQEVSTJZSA-N	410.502	5.144	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2cc3ccccc3s2)ccc1OC	733648310	NXQPRRJWGDPUQJ-YJBOKZPZSA-N	423.538	5.151	30	20	HKED	
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)c1cnccn1	734751243	KIRDKTDCSVFNNR-KHPPLWFESA-N	406.445	5.031	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2ccc(Oc3cnccn3)cc2)cc1	743055303	BVRKVDZHGNAWLT-OVCLIPMQSA-N	408.457	5.841	30	20	HKED	
C[C@@H]1/C(=C\c2ccc(Oc3cnccn3)cc2)C(=O)c2cccc(Br)c21	743055657	IDWNBSASENNPHL-VVBXCHJUSA-N	407.267	5.415	30	20	HKED	
CCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCc2ccccc21	746659546	KJWAHXBEORPCPA-UIOOFZCWSA-N	409.533	6.273	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1c[nH]c2cc(F)ccc12	749452552	LDIVRJRIPOKJJS-TWGQIWQCSA-N	408.436	5.451	30	20	HKED	
Cc1cc(F)ccc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O	750922063	NBIVRUUFPQJOQX-UHFFFAOYSA-N	411.889	5.417	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2ccc(F)cc2)CC1	752340915	RKTUASGNFLLZQM-KRWDZBQOSA-N	411.546	5.038	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1ncnc2ccsc12	754711690	UUVQRHRTMSWAQV-UHFFFAOYSA-N	410.934	5.159	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1	758430317	PRHLHYCKCARTRP-KAMYIIQDSA-N	415.493	5.023	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)c2)cc1	758598908	QBZBVWFCJPIYHG-UGKGYDQZSA-N	417.465	5.064	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@@H](C#N)c1nc3cccc(C)c3[nH]1)oc1ccccc12	768127219	NRISQXORMCFNGG-INIZCTEOSA-N	410.433	5.025	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc1C#N	775689347	KANVBTFTOXKTCI-IFXJQAMLSA-N	410.474	5.033	30	20	HKED	
N#CC1(c2ccc(C(=O)OCc3coc(-c4ccc(Br)cc4)n3)cc2)CC1	777171790	FQFUXQDEOPMLIP-UHFFFAOYSA-N	423.266	5.016	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H](c3ccc(F)cc3)CC2)c1=S	777970902	TYNNJELFWINHGJ-SFHVURJKSA-N	423.561	5.028	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1	780673669	YPNNLFAHXMBSKZ-KBXCAEBGSA-N	414.303	5.109	30	20	HKED	
Cc1ccc(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cn1	783041562	DDPMACBDYXTFIV-RUZDIDTESA-N	410.521	5.457	30	20	HKED	
CC(C)CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](C)c1ccccc1Cl	789358492	MBBHHPZSMFKTCB-CQSZACIVSA-N	406.382	6.281	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nccc3ccccc23)c1C	792096430	PFPVORLWMMSZMW-HXUWFJFHSA-N	412.518	5.006	30	20	HKED	
Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1C#N	799549049	IVHUGSHSJMLXQL-JTQLQIEISA-N	411.672	5.011	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)nc1	803065260	QRJGLJOPEFLMFH-CYBMUJFWSA-N	413.355	5.077	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C/c3nc4ccccc4n3CC#N)c21	806561831	AOVNBAGPMWVZAJ-VAWYXSNFSA-N	400.482	5.028	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC1	809090860	VILXTCJQTXFEST-GASCZTMLSA-N	415.287	5.123	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl)c1ccccc1	814324897	ZQDWGHOLQPLOLM-ZWKOTPCHSA-N	418.324	5.551	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CC[C@@H]4CNc5cccc3c54)nn2)c1	814926860	NJRRKBGGQDAYPL-CQSZACIVSA-N	409.415	5.282	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104165	MJCXRKVVQJAHMD-CYBMUJFWSA-N	424.831	5.396	30	20	HKED	
COc1cccc2cc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)oc12	916284064	JTIXXRMEMWTGFO-UHFFFAOYSA-N	415.474	5.070	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1C	916845966	AQOXGBNNAYKUEP-KRWDZBQOSA-N	418.547	5.067	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc2ccccc2n1	916848214	GHKKNPQNCLSLTQ-WIOPSUGQSA-N	418.452	5.179	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1	916882725	BLUWYRHBKGSDET-BPAYBPMLSA-N	406.841	5.015	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2oc3ccccc3c2C)cs1	917560401	XAWJIVKRIYOFLQ-RAXLEYEMSA-N	416.502	6.087	30	20	HKED	
C=CCSc1nc2ccccc2n1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	918735381	MMKZXVJANWCSCQ-BETUJISGSA-N	423.426	5.335	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2ccc(F)cc12	920143300	OUZOVJUQRIPMAM-QGZVFWFLSA-N	417.490	5.834	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CSC3CCCC3)cc2)CCC1	1786349546	ANEHVQUMMYUQNZ-KRWDZBQOSA-N	400.588	5.009	30	20	HKED	
CC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)CC1	1792232801	LCPOJLXBTFJATB-WGSAOQKQSA-N	407.558	5.031	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(F)CCCCC2)[nH]n1	1819555084	YULKMBRQMCZQQB-GOSISDBHSA-N	418.557	5.067	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2cccc(Cl)c2)c1	10831409	BRKISNDPMOUSJS-UHFFFAOYSA-O	415.991	5.665	30	20	HKED	
C=CCN(C(=O)c1cnc(C)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	18085168	JESWEFHWICWBNV-UHFFFAOYSA-N	405.310	5.048	30	20	HKED	
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccccc2-c2ccccc2C#N)c1	45939974	OHKSGJIPPNKGET-GOSISDBHSA-N	411.505	5.140	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47570357	NZFIQNZSBVYTPL-UHFFFAOYSA-N	417.534	5.613	30	20	HKED	
C[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48125732	WUZJAOGJCVBHIH-OAHLLOKOSA-N	416.506	5.023	30	20	HKED	
COc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(OC)cc1Cl	60016448	BXZIMPZJGLGBKW-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)C)cc1	61962775	UYPBPQMUDVUIPI-YCRPNKLZSA-N	411.933	5.177	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	63961653	ONBWVBHISPUIER-UHFFFAOYSA-N	400.265	5.400	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2	105049903	SQDSMHYATZYTLL-ICFOKQHNSA-N	401.897	5.361	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(C)nc2-c2ccccc2)cc1	195630594	HZIJJKVWORGKCZ-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](OC(C)C)c1ccccc1	431968265	HYFSDQRPKPBUEC-JOCHJYFZSA-N	401.466	5.159	30	20	HKED	
CO[C@]1(C)CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	431979622	DMWDRKCYTCPKAH-JOCHJYFZSA-N	413.905	5.427	30	20	HKED	
Cc1cnc(C2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)s1	432480426	VTXIEBHFDLPKBE-UHFFFAOYSA-N	417.534	5.330	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccccc1	432793116	OGJCPQMJHWONQQ-QHCPKHFHSA-N	400.482	5.217	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1	433137923	VVRKXLJWKHMJDV-DEOSSOPVSA-N	410.477	5.907	30	20	HKED	
N#CCCn1cc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)c(-c2ccncc2)n1	435129241	MBGXRNFDXYEVOA-AREMUKBSSA-N	419.532	5.006	30	20	HKED	
C=CCN1CCC(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)CC1	436422904	PFPHCTVURQNSRQ-UHFFFAOYSA-N	423.315	5.305	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	438245239	HXJVVBHUPOVBDW-ZVZYQTTQSA-N	419.978	5.113	30	20	HKED	
CCN(Cc1ncc(-c2cccc(Br)c2)o1)[C@@H](C)c1ccc(C#N)cc1	441240203	XEESXTVPXDJAJT-HNNXBMFYSA-N	410.315	5.559	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(C)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	442221239	HDLICYUHCBCGDS-IBGZPJMESA-N	419.447	5.801	30	20	HKED	
C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)CCCC1(C)C	444783020	KBFMSAXTCKEJRO-QFIPXVFZSA-N	411.615	6.011	30	20	HKED	
C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(OCc2ccc(F)cc2)cc1	446171719	SCPYNSQMUUYJAD-AWEZNQCLSA-N	410.395	5.046	30	20	HKED	
N#C[C@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1cc(C(F)(F)F)ccn1	464475103	ULKOPOJRWPOWPA-IBGZPJMESA-N	414.358	5.309	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccccc1	465726260	PBQVPISRDDCTJK-AQNXPRMDSA-N	401.432	5.161	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccsc4)C3)cc2)cc1	467897434	GJKDVPQQAQJJIO-NRFANRHFSA-N	405.479	5.017	30	20	HKED	
CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	470605221	HSXXKANNQCEWNZ-UHFFFAOYSA-N	405.420	5.049	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	470825390	KWVACKXAHJMSDJ-UWJYYQICSA-N	413.452	5.049	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@]4(C3)OCc3ccccc34)cc2)c1	473673861	FODKMIHYKQSILT-RUZDIDTESA-N	411.461	5.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1	475552005	WGBKSUZQSVNVNO-LJQANCHMSA-N	407.558	5.195	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1	476415512	BPJCIBQZQQDGGD-UHFFFAOYSA-N	421.544	5.016	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NCc1nnc(-c2ccc(C#N)cc2)o1	477573759	JPTRYZIPAXXNPR-UHFFFAOYSA-N	419.282	5.445	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1	478660384	MVVABAUMNHOTGM-MRXNPFEDSA-N	406.448	5.043	30	20	HKED	
N#Cc1ccc(CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1F	479491141	RZVMZZJHTCGTJJ-UHFFFAOYSA-N	404.832	5.698	30	20	HKED	
Cc1csc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1Cl	480078746	AGTSMBGEHWFONM-UHFFFAOYSA-N	404.866	5.987	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nnc1-c1ccccc1C	481334434	AAOAGFFGBNTKDB-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(C#N)cc1Cl	483870026	QEMGICCXWLRHAJ-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCC(F)(F)F)Cc1ccccc1	484146674	YWUZLBWQWXOYQW-MRXNPFEDSA-N	421.488	6.067	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc(Cl)cc(Br)c1F)c1ccccc1	487358471	TTWHVRFEDLWSOL-MRXNPFEDSA-N	409.686	5.407	30	20	HKED	
C=CCC[C@@H](C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1	487588387	JWRZACDQCZNQTL-MRXNPFEDSA-N	405.325	5.140	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2cccc3cccnc23)cc1	488030765	ZZBPIJLUFFVUAS-UHFFFAOYSA-N	409.464	5.017	30	20	HKED	
O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(C(F)(F)F)cc1F	488859252	KDELLGJNYQBDLY-UHFFFAOYSA-N	418.305	5.117	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccn1	488914968	RUKHVQPTXCRBKT-ZDUSSCGKSA-N	424.917	5.083	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc(-c4ccc(CC)cc4)no3)o2)cc1	489816063	QWUBMAPYUDAYBG-UHFFFAOYSA-N	420.494	5.206	30	20	HKED	
C[C@H](Nc1ccc2nc(C3CC3)sc2c1)C(=O)Nc1sc2c(c1C#N)CCC2	495681902	DNYMPCHJRUYOIN-NSHDSACASA-N	408.552	5.035	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F	506855825	CPOKEZOZNPSWHV-UHFFFAOYSA-N	423.822	5.373	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(C#N)cs2)c(Br)c1	508202878	KGKBRGAUWDGLOU-UHFFFAOYSA-N	415.312	5.126	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc(C#N)ccc1Cl	509182452	IKROGJWFTZEKBP-UHFFFAOYSA-N	407.901	5.352	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1	509630022	AERWBTGPIGJFPT-WOJBJXKFSA-N	401.432	5.055	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](C[C@@H]3CCOC3)c3ccccc3)c2)c1	513526266	NTGKBDIJZHONOY-RPLLCQBOSA-N	412.533	5.395	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nc2ccccc2s1	513676356	CWXCVNTUJKUMNU-LJQANCHMSA-N	421.481	6.108	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	513982918	JOLJVMYBIVWPHT-UHFFFAOYSA-N	414.347	5.693	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1	516112298	ZMBOPBXVNHKKIG-IBGZPJMESA-N	423.314	5.196	30	20	HKED	
CC1(C)CC(C)(C)c2cc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)ccc21	516493287	PWNANVUMOJVPPZ-UHFFFAOYSA-N	402.542	5.130	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1cccc(Cl)c1	518207917	ZMTZISKJXMHELM-KRWDZBQOSA-N	419.699	5.136	30	20	HKED	
Cc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N2CCCC2)cc1	518260081	UWDQTNGXXUSCMV-DENIHFKCSA-N	422.598	5.348	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1COCc1ccccc1	521066296	YPJDVSRQMNMBDX-UHFFFAOYSA-N	400.522	5.666	30	20	HKED	
C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1	521929502	YYPSUIBPIVTBRZ-QGZVFWFLSA-N	405.523	5.108	30	20	HKED	
N#Cc1ccccc1SCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1	525598706	ATJAHYDIRCTMLW-LJQANCHMSA-N	421.909	5.275	30	20	HKED	
Cc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	526101501	DHVNZZQGCHXNPX-FQEVSTJZSA-N	417.896	5.190	30	20	HKED	
CC[C@](C)(C#N)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	536073954	JWZCPMZPJOTVKP-QUDXMAFCSA-N	405.523	5.044	30	20	HKED	
COc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	542986145	MUTGBQDJEFVEAY-INIZCTEOSA-N	401.466	5.125	30	20	HKED	
C=CCn1c(S[C@H](C)c2nccn2-c2ccccc2)nnc1-c1ccc(OC)cc1	553705781	XSTIRUUBHZIQRE-QGZVFWFLSA-N	417.538	5.179	30	20	HKED	
COc1cccc2[nH]cc(Cc3noc(-c4cn(CCCC#N)c5ccccc45)n3)c12	575556941	QRYYCAODVQUVRV-UHFFFAOYSA-N	411.465	5.076	30	20	HKED	
C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	575929839	RCFZJBVHWOMAAC-QFBILLFUSA-N	412.917	5.160	30	20	HKED	
Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	579169167	MMTFPNVXSGNSSD-JOCHJYFZSA-N	412.493	5.293	30	20	HKED	
Cc1oc(C#N)cc1-c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	589152459	IELQJAHEFLAJPI-UHFFFAOYSA-N	411.446	5.362	30	20	HKED	
C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)Nc1sc2c(c1C#N)CCC2	598775806	XGLVQDHNFGZYBC-ZDUSSCGKSA-N	401.491	5.447	30	20	HKED	
N#Cc1cc(F)cc(NCc2cc(Br)ccc2OCc2ccccn2)c1	600861005	KHVDPVFXACPZFU-UHFFFAOYSA-N	412.262	5.046	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1Cl	604003613	HRORRJBEPLYTPW-UHFFFAOYSA-N	420.896	5.311	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C)cc3C)o2)c1	608929993	JREUBROFYGPRBT-UHFFFAOYSA-N	420.538	5.009	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1	609123996	MKJNKYWKKSOPQN-FOIQADDNSA-N	419.456	5.314	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)c2)cc1	609208761	JWEMCTROTQFGPW-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
CSCc1c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)oc2ccccc12	609462498	VHMPOTAMGYGKDK-MRXNPFEDSA-N	404.413	5.309	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4cccc(Cl)c4)CC3)cn2)cc1	610142308	VKEWXNMYGKUGEG-UHFFFAOYSA-N	404.857	5.210	30	20	HKED	
CCOc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C(C)C)cc1OCC	610357111	HRVDPZHOIMNMSR-UZUQRXQVSA-N	409.530	5.113	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OCC	613407047	FITRSAFVRPWWKJ-HNNXBMFYSA-N	414.914	5.627	30	20	HKED	
Cc1cc(Br)c(NC(=O)c2cc3ccccc3n2CC#N)cc1Cl	614997692	KETAXJQTXZVPPP-UHFFFAOYSA-N	402.679	5.142	30	20	HKED	
O=C(Nc1ccccc1OC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618540609	VIQWGJJPFHCPQD-RKDXNWHRSA-N	424.263	5.180	30	20	HKED	
CCOc1cccc2cc([C@@H](C)N[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)oc12	619647226	AHIHMYFXQSDVLP-ZIAGYGMSSA-N	411.889	5.034	30	20	HKED	
Fc1ccc(Br)cc1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	620748136	APKKIXUSYGXZBW-NXEZZACHSA-N	408.155	5.151	30	20	HKED	
C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12	673237653	RMANKPDTCNPYTR-KMUNFCNLSA-N	422.344	5.422	30	20	HKED	
C[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	674441743	CPPBZNCDSIHZMA-FXAINCCUSA-N	407.276	5.008	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674987700	IQRWUSSZUVLLHF-PHIMTYICSA-N	422.291	5.386	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2cccc(C)c2)c1	726573645	OEGXMADHEQZNDI-UHFFFAOYSA-O	413.566	5.512	30	20	HKED	
Cc1ccc(C)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728174849	AAWCBNPUPJUTPZ-UHFFFAOYSA-N	405.498	5.702	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1csc2ccccc12	729957732	KSDBTMZDPQBIRE-HNNXBMFYSA-N	402.475	5.436	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc2cc(F)ccc2s1	730422393	XFEDOCMROFJXDX-MRXNPFEDSA-N	414.889	5.013	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)Cc3ccccc3OC)n2)cc1	733052253	HEARXAYTBDWADM-IBGZPJMESA-N	420.534	5.272	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc2ccccc2s1	734209745	FKUSJGIONHUBSJ-OAHLLOKOSA-N	414.490	5.843	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccccc2)c2ccccc12	735230082	BWINLDFLOPETOL-UHFFFAOYSA-N	417.921	6.145	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NCC(=O)Nc1ccccc1SCC#N	735308531	ZWNNTXXSDKQSSL-UHFFFAOYSA-N	417.534	5.240	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1csc(-c2cccc(Cl)c2)n1	735341114	ZLPVCZZRTYYWLV-UHFFFAOYSA-N	419.289	5.376	30	20	HKED	
COCC(=NNc1ccc(OCC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	735614149	QDWQBBLOZWTYLA-UHFFFAOYSA-N	406.326	5.109	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)Cc1ccc(OCC#N)cc1	739303992	NBOXMFFDKHXFPA-OAHLLOKOSA-N	410.470	5.007	30	20	HKED	
CC(=NNc1nncc2ccccc12)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743422778	GCGNZUASSBIMBM-UHFFFAOYSA-N	411.296	5.267	30	20	HKED	
N#C[C@H](C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1nc2ccccc2s1	744015879	FHMSFCJHZOQXOB-LLVKDONJSA-N	424.835	5.042	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2ccc(C#N)s2)C(=O)c2ccccc2)c(Cl)c1	748999732	SHTPPBYYPDZRDY-XDHOZWIPSA-N	420.921	5.795	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(Cl)c1	750691844	BTRNMGHETGKGBL-BZPDREMPSA-N	403.894	5.615	30	20	HKED	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	752208044	YAGARYXEHMAADB-KXBFYZLASA-N	407.495	5.046	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(CCC(F)(F)F)cc1	752477363	OIWXCCFJNRQEBV-LJQANCHMSA-N	416.443	5.267	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C\C(=O)c3cc([N+](=O)[O-])ccc3F)c2)c1	752873521	GLORPWQLVVMLKF-YFHOEESVSA-N	402.381	5.081	30	20	HKED	
Cn1cc(-c2ccccc2CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cn1	759623499	WRQNSHGGABOJCQ-VWLOTQADSA-N	421.504	5.064	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c1	762219039	WQFVGNCQJQOGFM-WAKXPGHKSA-N	422.834	5.283	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3ccccc3SCc3cccs3)CCO2)c1	762302478	XGQBAMOZIBIHLP-NRFANRHFSA-N	420.559	5.126	30	20	HKED	
CC(C)Oc1cc(O)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	762697088	LUCRIDHPUWODJE-UHFFFAOYSA-N	402.450	5.290	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1	766795452	SDFWUJOPRJZDJL-WQLSENKSSA-N	414.248	5.062	30	20	HKED	
O=C(/C=C\c1ncc(-c2ccccc2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	770571127	ALXWPCRREVYKRF-PFONDFGASA-N	423.559	5.423	30	20	HKED	
O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771099348	QXAFREYRJHPVEZ-JPMGXVIASA-N	407.441	5.325	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(=O)C(F)(F)F)CC1	775857910	SAGDLIFMAYNZIT-SECBINFHSA-N	421.303	5.629	30	20	HKED	
C#CCCCCCC(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	780255195	MCBRHEAHTQIHQF-UHFFFAOYSA-N	411.112	5.366	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl	789449515	GOLOMBKCLIPYNS-LJQANCHMSA-N	407.341	5.700	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccc(OC(F)(F)F)c(Br)c2)cc1	793220230	AXXLKSFSWPUNTL-NSHDSACASA-N	415.209	5.251	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1	796470181	SUFCHJRGBSTDSV-OAQYLSRUSA-N	403.448	5.176	30	20	HKED	
N#C[C@H](C(=O)Cc1csc2ccc(Br)cc12)c1ccc2ccccc2n1	796630838	XGHZMDKRPBWULM-KRWDZBQOSA-N	421.319	5.631	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2c[nH]c3cc(Br)ccc23)s1	797570106	CQYNCEZYFJGFNW-AWEZNQCLSA-N	416.344	5.103	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)OCCCC1(C#N)CCOCC1	800179223	KCPCRXAXEIPBRF-OAHLLOKOSA-N	418.946	5.013	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	802044977	BSDUEDBRXOOURT-WMLDXEAASA-N	409.436	5.250	30	20	HKED	
CCC[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccn1	810536534	MKTDWYNMGIDLJZ-KGLIPLIRSA-N	403.429	5.470	30	20	HKED	
O=C(/C=C\c1nc2ccc(Br)cc2s1)c1ccc(Br)nc1	811695847	FIUKLCZWOSHULN-XQRVVYSFSA-N	424.117	5.112	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC	813222071	ZRYVSYUGTFXHBL-VQTJNVASSA-N	400.563	5.513	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	915104182	MSYUXYZBEACHAX-LBPRGKRZSA-N	422.453	5.524	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	915351440	BYUHKQLXSBTFIH-JOCHJYFZSA-N	415.493	5.023	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2sc3ccccc3c2s1	916883122	ONWILNZGRDATSO-CQSZACIVSA-N	410.907	5.731	30	20	HKED	
COc1cc(C=NOCc2cccc(C(=O)Nc3ccccc3)c2)cc(Cl)c1OC	917395881	ZOSQYSISSSWRGX-UHFFFAOYSA-N	424.884	5.160	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1	918021838	QDJRUBNOUMOQDQ-RUZDIDTESA-N	405.501	5.908	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1	919792605	RRKSKHZHAYNPNX-UHFFFAOYSA-N	411.615	5.412	30	20	HKED	
Cn1cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)c(-c2ccc([N+](=O)[O-])cc2)n1	920063890	JVYCDANYYLMIFJ-YWEYNIOJSA-N	407.813	5.291	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccc(F)cc2F)cc1	921281146	MCIGBPXMRWOQMO-NRFANRHFSA-N	406.432	5.418	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	1797877235	WBYYPHBSXWDULB-IROFBDHCSA-N	414.634	5.224	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccncc3)n2C2CC2)cc1	22416756	BILGIOSSJFWAMB-UHFFFAOYSA-N	409.518	5.506	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2cccc(Cl)c2C)cc1	22728151	OBUMKHWUQIPACW-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OC(F)F)c1nc2cc(C(F)(F)F)ccc2s1	41548644	ZDEONZMZPWKAGW-LLVKDONJSA-N	412.339	5.407	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	44050984	SFZVADYVZHUUBE-UHFFFAOYSA-N	405.454	5.059	30	20	HKED	
COc1cc(OC)cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	46861724	BVWSTEPRGNMDKH-OAQYLSRUSA-N	406.869	5.265	30	20	HKED	
Cc1ccc([C@H](NC(=O)CNc2cc(C#N)ccc2OC(C)C)c2cccs2)cc1	60087850	NDWGVLLUXJNKFI-DEOSSOPVSA-N	419.550	5.033	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)n1	147188767	WQTILHSVBIKPEZ-NRFANRHFSA-N	412.518	5.162	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)s1	213230358	WCKTULWBUCMIEQ-HJWRWDBZSA-N	411.866	5.248	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(Oc3cccnc3)c(C)c2)ccc1OC	237020972	CJXAPKCSOBJDCO-NRFANRHFSA-N	417.509	5.162	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2Oc2ccccc2C#N)s1	430599065	PTWDMVABLQYOGM-QGZVFWFLSA-N	401.491	5.595	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1	433727785	JMURTPZDCNBYPZ-CYBMUJFWSA-N	408.807	5.418	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	437866565	MQTWFPKIPAIRNK-ZIAGYGMSSA-N	408.445	5.506	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCc2c([nH]c3c(F)cccc23)C1	439512705	MDIWFBVMGRYQDH-OAHLLOKOSA-N	422.529	5.682	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)SCc2ccc(C#N)cc2OC(F)F)c(C)c1	439545436	UCGQRSUEFNHZGV-HNNXBMFYSA-N	404.482	5.345	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)s1	463460766	JHNQTGJIOCNTBE-UHFFFAOYSA-N	403.573	5.178	30	20	HKED	
Cc1ccc(C[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c2ccccn2)cc1	466021746	LJFZESFAHZONAU-AFESJLNVSA-N	424.548	5.155	30	20	HKED	
CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	467455294	CBTDGAWKSVZCFP-RBBKRZOGSA-N	423.582	5.584	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCCCC[C@H]3/C=C/c3cccs3)on2)c1	468816093	COKZEKXQOKCJLS-VYENPZKTSA-N	403.507	5.373	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1	468850999	FYQWYPFLLHABJA-UHFFFAOYSA-N	412.464	5.099	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	471204591	ZDWCWNQYBWNXQD-BVGQSLNGSA-N	421.850	5.800	30	20	HKED	
COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1OCC(F)(F)F	471217908	FYWLWBMOTWTWQY-UHFFFAOYSA-N	411.273	5.047	30	20	HKED	
C=C(C)[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(F)c(F)c1	475695217	ISTHGRGAKXZBAP-FQEVSTJZSA-N	402.828	5.249	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)csc1Br	476020369	KLHFPHXPRZTCIG-LBPRGKRZSA-N	404.116	5.121	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](NC(C)=O)c1ccccc1OCC	476120436	CGQQWRQDUMOEDV-JOCHJYFZSA-N	408.542	5.143	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](c1cccs1)C(C)(C)C	476363067	HBJSMDXXLVPUCB-MGPUTAFESA-N	401.601	5.315	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccc1	476832050	QOJMEWGXVVPDGP-IERDGZPVSA-N	415.306	5.243	30	20	HKED	
CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(C)(C)C#N)cc1	477508458	IAADGTKEYJAKER-UHFFFAOYSA-N	418.310	5.443	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(Cl)c1)c1nc(-c2ccccc2)cs1	477882378	UPABSKARAVZPCL-ZDUSSCGKSA-N	417.715	5.716	30	20	HKED	
N#CCCn1cc(CN(CCC(F)(F)F)Cc2ccccc2)c(-c2ccccc2)n1	483412681	VIYBGUASNLRKCN-UHFFFAOYSA-N	412.459	5.418	30	20	HKED	
Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2sc3ccc(C#N)cc3c2C)c(C)c1	486624535	GWEXIOJOBBZWIN-OAQYLSRUSA-N	414.534	5.066	30	20	HKED	
N#Cc1ccc(F)c(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1	494018660	FBYOCKLVPWOSOO-HSZRJFAPSA-N	408.860	5.001	30	20	HKED	
N#CCN(C(=O)c1oc2ccccc2c1CSCc1ccccc1)c1ccccc1	497351931	DIQFTLQLBPQQHZ-UHFFFAOYSA-N	412.514	6.037	30	20	HKED	
CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H](C)c1ccc(C#N)cc1	497619242	JJVAWKVAIZWTHT-AWEZNQCLSA-N	400.404	5.210	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	498826194	BOSAVLXAJOXQCP-QGZVFWFLSA-N	413.543	6.014	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	501446043	ACRACLYVAUWSMP-IBGZPJMESA-N	400.478	5.046	30	20	HKED	
CCN(C(=O)c1sccc1C#N)[C@H]1CCSc2ccc(Br)cc21	504634552	MALPEYSSKBPJQS-AWEZNQCLSA-N	407.358	5.081	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	505182571	UBUUWBSPBOKAQE-UHFFFAOYSA-N	416.333	5.673	30	20	HKED	
C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccc(NC(=O)Nc2ccccc2)cc1	506511487	PCWNJEYRLBQLLJ-HNNXBMFYSA-N	418.884	5.347	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	511762499	MGCDBIOUVRCELT-HXUWFJFHSA-N	417.534	5.091	30	20	HKED	
Cc1ccc(NCc2ccc(C#N)cc2F)cc1Oc1ncccc1Br	515365460	AMKUOXLXTXKIFQ-UHFFFAOYSA-N	412.262	5.568	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc3c2OCO3)cc1Cl	516470091	YHGIFXXCFZJJSA-IBGZPJMESA-N	419.868	5.046	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4cnc(C5CC5)o4)cc3)cc2)nc1	518924180	SCHQEJZAJOOCRW-UHFFFAOYSA-N	422.444	5.530	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1	520262716	GOJDJJORNUORHT-QHCPKHFHSA-N	408.461	5.205	30	20	HKED	
CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H](C)c1ccc(C#N)cc1	520706686	FTFMHCRPTSLRJC-QGZVFWFLSA-N	413.452	5.585	30	20	HKED	
C[C@@H](NC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(C#N)cc1	521953291	BAVQPWSGHSAGLS-WAIKUNEKSA-N	405.448	5.181	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(CCc3ccc(F)cc3)C3CC3)c2)c1	522584808	ROZNKZTYPVNYEE-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
CC(C)(C)n1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(-c2ccc(F)cc2F)n1	525119300	YLWZMQFZQVNTNE-UHFFFAOYSA-N	414.843	5.361	30	20	HKED	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	525653333	QZJZSUMUIVYYMK-CQSZACIVSA-N	422.916	5.172	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2o1	532262153	XXJSIDZMTLARGU-LBPRGKRZSA-N	417.943	5.464	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](c2ccccc2)CC1	533263087	JQARFALNEVWDOC-FPOVZHCZSA-N	407.583	5.289	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nc2cc(Cl)ccc2c1=O	536017072	HUXVDAMXSSIQIU-UHFFFAOYSA-N	423.925	5.492	30	20	HKED	
N#CC1(CCCNc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CCOCC1	537507170	OSJXZAPALWUVMU-UHFFFAOYSA-N	404.432	6.010	30	20	HKED	
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1	537950570	CZKWICOHBNBPLP-SJKOYZFVSA-N	409.345	6.111	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	539167280	RYOBEMDMVCOJCT-GOSISDBHSA-N	407.823	5.181	30	20	HKED	
COc1cc([C@H](C)NCC#Cc2ccc(Cl)cc2)ccc1OCc1ccncc1	539251995	HPWYXMAALGZHTE-SFHVURJKSA-N	406.913	5.025	30	20	HKED	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1	539756480	HZVNLWFUDFKCAA-QGZVFWFLSA-N	413.477	5.131	30	20	HKED	
COCCN(Cc1ccc(C)o1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542091337	YOQVTIBCJACKBV-IBGZPJMESA-N	417.509	5.046	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1	543563008	FBTYTAJPKLDQNY-MZNJEOGPSA-N	412.493	5.669	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1	553000192	UIPXQOFMIKAWAW-UHFFFAOYSA-N	418.321	5.900	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cc(Br)cs1	553664837	DQFYSNZZUPCAGZ-GFCCVEGCSA-N	424.389	5.569	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3SCCC#N)c12	557545751	JXJYIDPCUJWCCA-UHFFFAOYSA-N	406.511	5.482	30	20	HKED	
N#C[C@H](C(=O)c1occc1COc1ccccc1)c1nc2cc(Cl)ccc2s1	568369599	USJVJJAVNGOGNY-MRXNPFEDSA-N	408.866	5.612	30	20	HKED	
COc1c(C)cc(CN(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1C	570089877	AGJWTWGLZLGJOJ-UHFFFAOYSA-N	416.481	5.035	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)CCCCC2=O)c1nc(-c2c(F)cccc2F)cs1	571964803	GRBARRNQBGVTAO-MRXNPFEDSA-N	422.456	5.487	30	20	HKED	
COc1ccc(Br)c(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c1	581099739	GAFIVRNWBCNJQR-UHFFFAOYSA-N	410.271	5.129	30	20	HKED	
COc1ccc([C@H](NC(=O)CCCCCC#N)c2ccc(C(F)(F)F)cc2)cc1	588672431	ICKCHKQFKSWULL-OAQYLSRUSA-N	404.432	5.394	30	20	HKED	
CC(C)Oc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	592360885	UGQHGFANYDNTER-CQSZACIVSA-N	404.413	5.592	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3occc3COc3ccccc3)cn2)cc1	603764919	QUKITYVKSFBKCP-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)c1	603903178	VMNCGIHGOSJYDH-QGZVFWFLSA-N	404.466	5.008	30	20	HKED	
CCN(Cc1ccoc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609079589	HEAVFYHIPGXJJP-UHFFFAOYSA-N	409.873	5.438	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCOc2ccccc21	609101843	JHWUIYVBXFWTFA-JOCHJYFZSA-N	400.453	5.105	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1	609296895	DMWWMVXECBJUOU-UHFFFAOYSA-N	416.427	5.558	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1	609383000	ZVPDETZJVBQSAR-ZDUSSCGKSA-N	413.955	5.968	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1	609413888	CBERPBQVBBSETR-ZWKOTPCHSA-N	403.309	5.442	30	20	HKED	
CCC(CC)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccs1	609436570	AOZFYAODKSCWCD-YWZLYKJASA-N	401.601	6.441	30	20	HKED	
CC(C)[C@@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	609636020	GFOQMOYVJFXZNB-OAQYLSRUSA-N	405.542	5.622	30	20	HKED	
COCc1ccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	609722841	ATWRFCSGVSTAEO-UHFFFAOYSA-N	406.869	5.080	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1	609735751	RYLLOYCGDIOCGZ-DWXRJYCRSA-N	415.537	5.365	30	20	HKED	
C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1	609991850	XJZIOOXJACMAPL-FQEVSTJZSA-N	424.548	5.257	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)c1C#N	610174159	OFCSUJZXALXEQM-UHFFFAOYSA-N	403.935	5.381	30	20	HKED	
C[C@@H](NC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cccc(C#N)c1	610318434	LTOSRBIFIIEZFG-GFCCVEGCSA-N	416.428	5.583	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)C1	612370059	PHBJYWFUPLYDKS-MIWMXLOXSA-N	413.546	5.549	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1OCC	613291063	RORWYSNXBJAYIX-QGZVFWFLSA-N	408.885	5.566	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(-c2ccccc2)cs1	613391955	AUPLQRBPHZYAIR-KRWDZBQOSA-N	414.511	5.921	30	20	HKED	
C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1	619740745	SMAVMLPRKLFSHX-VWLOTQADSA-N	424.508	5.069	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21	622150762	SDYSBSADWGOSQF-HXUWFJFHSA-N	404.432	5.202	30	20	HKED	
C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]1c1ccc(O)cc1	642704510	XCVHWYUIZGZZPN-HSZRJFAPSA-N	411.509	5.117	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cc(C(F)(F)F)ccn1	643777185	XCRBRDOHIXZHCQ-LBPRGKRZSA-N	423.366	5.652	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c2c1	677557784	PTRAOGKCYRWORG-JOCHJYFZSA-N	414.468	5.644	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c2cc(Br)ccc2n1	679536823	RYLHDVVFEBLOGX-GOSISDBHSA-N	416.278	5.344	30	20	HKED	
C#Cc1cccc(NC(=S)NCc2cccnc2Oc2ccc(OCCC)cc2)c1	726467875	DPFIIIFCFPPLAV-UHFFFAOYSA-N	417.534	5.131	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccccc3F)cc2Cl)c1	727977897	BGMOBGZEWFKZDK-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	730685589	AJFSNOADKILLBB-MJBXVCDLSA-N	407.684	5.098	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)ccc2c1	731644813	CLJPYJQHEMVXIU-PNWMKBJFSA-N	410.395	5.261	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(OCc3ccncc3)cc2)c1	732118061	KEGMVJRDRGTDHS-UHFFFAOYSA-N	408.457	5.082	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(Cc2ccc(C(C)C)cc2)C2CC2)c1=S	732508406	FKZUHVJWQDXNIS-UHFFFAOYSA-N	419.598	5.408	30	20	HKED	
C#CC[C@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccn1	733692683	JGNGTYXLEIUOME-NRFANRHFSA-N	400.503	5.382	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c1	733846923	ALKPTHZGCZJWQR-INIZCTEOSA-N	418.324	5.163	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1	735982456	TYYOTSNXACETRC-UHFFFAOYSA-N	419.350	5.327	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)c3ccccc3OCC#N)s2)cc1	739612006	ZBIBYLQZTYZRIK-KRWDZBQOSA-N	405.523	5.163	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)c2)s1	740479556	CHHAODVBFVJQTP-FYYLOGMGSA-N	417.534	5.006	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccc3)[nH]2)CSC/C1=C/c1cnc(-c2ccccc2)[nH]1	741736882	VBRNZALXUXAZKO-YZLQMOBTSA-N	424.529	5.250	30	20	HKED	
CC(C)N(C(=O)[C@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(C)C	741820682	RQFOQOGTFGGCQA-SFHVURJKSA-N	424.566	5.041	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	744026378	XMFCCLBZNPFSFU-KQPPXVQYSA-N	406.791	5.110	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Br)c2C)cc1	744027701	BLERJUDLDSFCJN-GOSISDBHSA-N	413.315	5.061	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1)C(=O)O	745022090	WFOPDDUVKNBRPW-CFRMROPGSA-N	423.446	5.071	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)n1	747198879	MTCKIRZXJIHYCO-ACBHZAAOSA-N	415.603	5.088	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1C#N	752165457	ANTLUWBYKDSMBF-UHFFFAOYSA-N	421.482	5.203	30	20	HKED	
Sc1nnc(-c2ccco2)n1N=Cc1nc(-c2cc(Cl)ccc2Cl)cs1	755529921	GJMOYADOOVERAZ-UHFFFAOYSA-N	422.322	5.139	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	757883019	GMOXMVGSZKGPNZ-AWEZNQCLSA-N	414.914	5.121	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cnc(Cl)c(Br)c1C	760048877	FMGZRBBFCAKVNY-UHFFFAOYSA-N	400.729	5.088	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	760182777	HSCJDXZINSFQCD-QRWLVFNGSA-N	424.928	5.021	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3cccc(-c4ccc(Cl)c(Cl)c4)c3)o2)cc1	760452219	OKPSRURPRYWVNN-UHFFFAOYSA-N	421.287	6.194	30	20	HKED	
O=C(/C=C\c1cccc(/C=C/C(=O)c2c[nH]c3ncccc23)c1)c1c[nH]c2ncccc12	761813915	XUARVVHHQZXERS-PNQPDEHRSA-N	418.456	5.231	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl	764054080	PGAJGOJMIGOLBZ-GMAHTHKFSA-N	419.912	5.505	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1=S	764896750	GAWLRFDRTYOQAX-LJQANCHMSA-N	411.550	5.136	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1=S	765046750	GZDJSNLFLBTMRY-OALUTQOASA-N	421.595	5.058	30	20	HKED	
COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1F	765619540	ZTSZVNGAZAWESK-YRNVUSSQSA-N	410.470	5.180	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1	767857588	KASHPTNEHZGAAD-GOSISDBHSA-N	409.958	5.168	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c1	769228125	PJGWKQABYGDQJF-LJQANCHMSA-N	403.404	5.367	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1	780678831	YCJIFQFYRXPYEI-OAHLLOKOSA-N	417.431	5.408	30	20	HKED	
CC(C)(C)OC(=O)N1CCC([C@H](NCc2ccc(C#N)cc2)c2ccc(F)cc2)CC1	782756335	IKZUASQAYFJMEP-HSZRJFAPSA-N	423.532	5.175	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)n1	788597160	ZYLOOEWCVAXLFS-UHFFFAOYSA-N	410.880	5.030	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1cnc2ccccc2n1	792099445	BDIAPPIUZOLSEM-KRWDZBQOSA-N	420.310	5.081	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl	795129977	CBOUUQPTZLMGPK-ZDUSSCGKSA-N	413.370	5.093	30	20	HKED	
CC(C)(C)OC(=O)N1CCC(CCC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1	797567992	NEDNPWMRCOTTRM-INIZCTEOSA-N	419.591	5.044	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NCCCC4(C#N)CCOCC4)cc3C2)cc1	798388020	MBQNYMLQTKUDHN-UHFFFAOYSA-N	403.570	5.843	30	20	HKED	
Cc1ccc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)cc1C#N	799323614	UVZPTRWZVMMNPH-UHFFFAOYSA-N	405.473	5.146	30	20	HKED	
Cc1ccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cc1C#N	799549963	BUJLRIXDNORRGC-MRXNPFEDSA-N	414.486	5.242	30	20	HKED	
Brc1ccccc1-c1ccc(C=Nn2cnnc2-c2ccccc2)cc1	800809064	AEWQQRRJNFKQIT-UHFFFAOYSA-N	403.283	5.257	30	20	HKED	
CO[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	815911546	FHVDTUALIXTVOE-JJRVBVJISA-N	409.338	5.498	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1ccc(Br)cc1	823402517	JPSBOQKEXZSWNY-UHFFFAOYSA-N	417.347	5.685	30	20	HKED	
COc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	916627343	NOLINXOZPCDJIL-OEPRFQHASA-N	404.491	5.025	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2c(F)cccc2s1	916945229	STFDYRXBUDAKEN-ZDUSSCGKSA-N	407.253	5.308	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)c1	918714332	ZOXCQEHBIPJRLS-YFHOEESVSA-N	412.898	5.230	30	20	HKED	
C=CCCO[C@H](C)C(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	921146780	DFBFGYSLFMHQQX-OAHLLOKOSA-N	421.415	5.153	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C)n3)cc2)CCC1	1787075978	OJZMMKIYERYGIV-FQEVSTJZSA-N	421.516	5.045	30	20	HKED	
CC[C@H](C)[C@@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1ccccc1	1787886167	IRUIAFIKTDLRQE-YADARESESA-N	417.553	5.254	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1	1818454326	QYRVOELDPRCMGZ-VGSWGCGISA-N	416.525	5.081	30	20	HKED	
N#Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1	1875251738	KUFFXMVSBHVUKA-QFIPXVFZSA-N	402.295	5.676	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccccc2)cc1	7034148	ODGFTSALAVWURB-SFHVURJKSA-N	415.566	5.767	30	20	HKED	
CC(C)c1ccccc1-n1c(SC[C@@H](C#N)CCC#N)nc2ccccc2c1=O	7198655	MMIQOHXAADRNTD-QGZVFWFLSA-N	402.523	5.045	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccccc2CC)cc1	22730987	QNYYIBGFCDGGJM-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccoc1C	24047769	IVJWOSUGLDHXNS-UHFFFAOYSA-N	412.902	5.633	30	20	HKED	
C=CCN(C(=O)c1ccc2cc(OC)ccc2n1)c1nc(-c2ccccc2)cs1	24882249	PXPQYFDWPFHUDT-UHFFFAOYSA-N	401.491	5.200	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(SCc2nc(C)no2)cc1	55557071	OISQSNNYOKSMOX-UHFFFAOYSA-N	419.959	5.214	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)COc2cccc(Cl)c2)cc1	55823557	UKOARFSXXVFSAE-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
CCCCSc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)s1	60766985	XOOKANBCBXUPJD-UHFFFAOYSA-N	416.597	5.274	30	20	HKED	
C=CCN(Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1cccc([N+](=O)[O-])c1	63287260	ZRZAZDFUZWOSTG-UHFFFAOYSA-N	401.466	5.035	30	20	HKED	
CN1CCC[C@@H](CNc2snc(Cl)c2C#N)[C@H]1c1ccc(C(F)(F)F)cc1	301267260	FTWGLKCBWIWWPZ-SWLSCSKDSA-N	414.884	5.182	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303663662	HZBRPOPNYJEGRH-VXGBXAGGSA-N	419.287	5.152	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303933088	XMXDZUVMYRCMHX-SNVBAGLBSA-N	421.303	5.227	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1	429420273	COZCSXFABOFWLW-OAQYLSRUSA-N	404.495	5.485	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1	429873169	QLJPAOOHAUKIGK-UHFFFAOYSA-N	411.870	5.053	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)cs1	431759778	JMKYGTYFPSQMLC-QFIPXVFZSA-N	418.566	5.395	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	439107671	BCDSJKLUPPUGAT-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@H](C)SCc1ccc(C#N)cc1OC(F)F	439540786	JCNKOTOCYVRHKP-AWEZNQCLSA-N	404.482	5.543	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)n1	442597609	JSARNWYZSHHNAF-CQSZACIVSA-N	403.290	6.041	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2c(Br)sc(C)c2C)cc1	442755443	SJPUGYIQCCHYSP-UHFFFAOYSA-N	407.333	5.087	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3CC(=O)c3ccccc3)c2)cc1	443823345	HVCSSFAGHUQTFM-XMMPIXPASA-N	424.500	5.015	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21	443908448	OTXRJSFFDNAHSX-XMSQKQJNSA-N	423.582	5.232	30	20	HKED	
N#C[C@H]1N(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CCC[C@@]12CCCCO2	448278975	QJSBSFNKVLJSQS-QUCCMNQESA-N	422.381	5.544	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCc4c(O)cccc43)cc2Cl)cc1	466092296	KXQUNLUAANEPBJ-FQEVSTJZSA-N	419.868	5.519	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1	468230188	KOHFLCHOORIAPJ-VQTJNVASSA-N	405.542	5.134	30	20	HKED	
CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cn(CCCC#N)c3ccccc23)no1	469743554	DIVCXDGYIVTQQK-OAQYLSRUSA-N	419.529	5.209	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H](c2ccsc2)O1	470754162	HIMKVRCLEFQXEE-KKSFZXQISA-N	420.559	5.373	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	475560483	USSWHXGQPDBKNO-KRWDZBQOSA-N	405.567	6.545	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1	476092828	AZVXOFXMNOMAMB-UHFFFAOYSA-N	406.570	5.595	30	20	HKED	
COCCOc1ccc(F)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	480896096	ILMQSLKRZNIZIC-UHFFFAOYSA-N	422.481	5.126	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C	484835568	NBDSTHIULKOECP-UHFFFAOYSA-N	415.541	5.620	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1	487728832	XHNWITHCDCRMQU-QGZVFWFLSA-N	424.595	5.279	30	20	HKED	
C=CC[C@H](C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	489005712	DIGMDXCPUUQEEX-OUTSHDOLSA-N	403.547	5.434	30	20	HKED	
Cc1cccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)(C)C)c1	494006220	GYXVOEDASRKNDQ-LAUBAEHRSA-N	423.582	5.231	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1oc2ccccc2c1CSc1ncccn1	499394397	UCPJJMKSJAJYCL-UHFFFAOYSA-N	415.518	5.344	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)cc1OCCC(F)(F)F	500197184	KJCZULQWEMKAQC-CQSZACIVSA-N	423.328	5.832	30	20	HKED	
Cc1cccc(Oc2ccccc2CNCc2cn(CCC#N)nc2-c2ccccc2)c1	500893426	RNWWXHVISWQURF-UHFFFAOYSA-N	422.532	5.854	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1	501030179	AVSVNKMSZGUWSV-OAQYLSRUSA-N	410.949	5.100	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc4ccccc4cc3OC(F)F)CC2)cc1	503890915	JOMZBNZCJOMWGP-UHFFFAOYSA-N	404.416	5.242	30	20	HKED	
COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)cc1	506653197	LTOQMFKNPAYSFI-HXUWFJFHSA-N	413.477	5.381	30	20	HKED	
CCc1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	509856151	SVQFEBKLRSKMKL-UHFFFAOYSA-N	413.521	5.558	30	20	HKED	
Cc1sc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c(C#N)c1C	510648288	PJTBWGPOAYEVIQ-UHFFFAOYSA-N	420.519	5.171	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CC(c2ccccc2)c2ccccc2)cc1	510961070	UNAPKSOAJHSYCH-UHFFFAOYSA-N	422.450	5.671	30	20	HKED	
CN(C(=O)C1(C#N)CCCCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	513362829	FBXKJDYMZKASFU-UHFFFAOYSA-N	403.404	5.330	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	515547218	QIHZOSPFSQRAKS-XFBWCDHKSA-N	409.898	5.034	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	518376253	UTNWYOGXSKXKDU-KRWDZBQOSA-N	401.466	5.024	30	20	HKED	
CC[C@@H]1CCCC[C@H]1c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1	518408507	QHFKVNFTBDPXMF-NVXWUHKLSA-N	421.501	5.257	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl	518744522	WMSAFQIIUTVBCX-NSHDSACASA-N	404.322	6.121	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	519513504	HYLQKURSBXNADQ-OAHLLOKOSA-N	416.868	5.315	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	520821641	QNIQIZWOIWMZJC-DNVCBOLYSA-N	419.015	6.415	30	20	HKED	
CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	520835265	FJVZUEVQLNEUHE-ZDUSSCGKSA-N	424.551	5.271	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](C)c1cc2ccccc2o1	524382161	NNFWKJIPKLSYRN-KRWDZBQOSA-N	414.461	5.700	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(CC(C)C)nc3C)n2)cc1	524393141	PZXGVLQQLJVXAZ-MRXNPFEDSA-N	411.552	5.272	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(O)c3ccccc23)cc1Cl	526052912	ZCSWWTJCZXADSV-FQEVSTJZSA-N	413.864	5.502	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c2c1	535431268	ZSVVKNMAZQRUSZ-IBGZPJMESA-N	412.518	5.675	30	20	HKED	
COc1cc([C@@H](C)NCC#Cc2cccc(Cl)c2)ccc1OCc1ccncc1	538152129	SIDMWBPDJHZGHT-GOSISDBHSA-N	406.913	5.025	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1	542085852	SEQVGBTVUZGNLV-KRWDZBQOSA-N	414.465	5.036	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC=C(c3cccc(Br)c3)CC2)cc1	545162795	PWGASJGOAKVGRY-UHFFFAOYSA-N	424.342	5.571	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)N1CCCC1	548183782	NICBFCMAZWKTCB-LLVKDONJSA-N	408.264	5.133	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)nc2ccccc12	554775241	GQAVNNQJQOQECO-UHFFFAOYSA-N	410.911	5.126	30	20	HKED	
CSCC[C@@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	554837029	KWASZHBQGGEWPY-BEFAXECRSA-N	401.963	5.601	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cc(-c2ccccc2)on1	555336849	ITKWECYZWYKPLO-UHFFFAOYSA-N	424.460	5.636	30	20	HKED	
N#Cc1cc(Br)ccc1CSc1nnc(-c2cccs2)n1C1CC1	557748795	RTLQJONRTLXQRU-UHFFFAOYSA-N	417.357	5.268	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccccn2)cc1	558340655	RQCQQLSNAVKVBW-UHFFFAOYSA-N	405.502	5.262	30	20	HKED	
C=C[C@H](CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1ccccc1	559823221	RQJGRZWMSLUWIJ-QGZVFWFLSA-N	420.944	5.623	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCc2ccc(C#N)cc21	578740075	LHWHREBMRIDKNW-UHFFFAOYSA-N	421.909	5.037	30	20	HKED	
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@](C(=O)O)(C(F)(F)F)C1	578833460	VSTAGCDOIVCQTC-ISVAXAHUSA-N	423.275	5.124	30	20	HKED	
Cc1nc(NC(=O)c2occc2CSc2ccccc2)sc1SCC#N	603775544	PNDFTLAVHXQGCT-UHFFFAOYSA-N	401.538	5.205	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4sccc4C3)cc2Cl)cc1	604089599	HHUDJXVYLROMJB-UHFFFAOYSA-N	409.898	5.656	30	20	HKED	
CCOc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	604488067	LMMWWQRKVLLCAF-INIZCTEOSA-N	402.454	5.027	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608333891	TWYJHHFHLQVOKR-BQBZGAKWSA-N	408.264	5.135	30	20	HKED	
N#C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	609460436	QMPOQFLDYPXYHE-OAHLLOKOSA-N	423.847	5.282	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	609521613	LBAZMUUQRKIRFU-PMACEKPBSA-N	421.610	5.220	30	20	HKED	
C[C@@H](C1CC1)n1nccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609723363	KCDYKUDEWZRHBA-AWEZNQCLSA-N	406.873	5.424	30	20	HKED	
COc1cc(CNc2ccc(C#N)cc2C(F)(F)F)ccc1OCC(F)(F)F	609961543	VKRDWQPXRWNPDW-UHFFFAOYSA-N	404.310	5.139	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609970990	XZFHXDFWLNEHLM-ZDUSSCGKSA-N	410.436	5.668	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	610095421	SMQQYBIMNZIESM-INIZCTEOSA-N	412.515	5.133	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(Br)cc1Br)c1cccc(C#N)c1	610829721	GOEARSDTMIOCFI-VXGBXAGGSA-N	408.137	5.495	30	20	HKED	
CC(C)OC1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1	611064293	JXCZOZWEQZSEJI-UHFFFAOYSA-N	423.532	5.145	30	20	HKED	
CN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cc(Cl)ccc1C#N	611186385	DRUDJJAJVWSDPI-UHFFFAOYSA-N	403.841	5.549	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc(SCc2ccc(C#N)cc2C)s1	614397436	XHQLBJKVXOBDJI-UHFFFAOYSA-N	408.577	5.483	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc2ccccc2o1	614439893	WLTMWISWGSMOHL-GOSISDBHSA-N	422.362	6.129	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCc1ccc(C#N)c(Cl)c1	619767204	UPOQUURKKZMWDP-UHFFFAOYSA-N	420.683	5.412	30	20	HKED	
C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c(F)cccc1Cl	674439152	VZDSDOJYUMFOMQ-GUBZILKMSA-N	420.756	5.312	30	20	HKED	
O=C(CCCc1cc(F)ccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	677749297	XHBJDGBJAMAPFV-IMRBUKKESA-N	417.340	5.313	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1cc2cccnc2cc1Br	681604954	IPZFENRPJNXUQS-UHFFFAOYSA-N	413.340	5.205	30	20	HKED	
COc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CCC2)cc1	726322395	SVSPPUSUVHGVPD-IBGZPJMESA-N	422.937	5.770	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1	726940816	UEWIUQVXIGKXTM-UHFFFAOYSA-N	409.486	5.039	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1[N+](=O)[O-]	730151956	VORHSUPMCVGKKR-SOFGYWHQSA-N	410.407	5.136	30	20	HKED	
C[C@@H](NC(=S)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1Cl	730953079	MKXHKNBRSAWQNQ-GFCCVEGCSA-N	410.395	6.047	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	731114005	BRJFLAYYVPOXOD-KRWDZBQOSA-N	408.571	5.201	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccoc1COc1ccc(C=O)cc1	731640348	MJLZHSBRMYTDMJ-MRXNPFEDSA-N	420.490	5.318	30	20	HKED	
CCc1nc(CN2CCC(C/N=C\c3cc(Cl)cc(Cl)c3O)CC2)cs1	731937016	DPGKCZPIFIDOKJ-YVNNLAQVSA-N	412.386	5.049	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	731987731	WLEFRDSSCPTFQZ-UHFFFAOYSA-N	417.534	6.197	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1cnn(C(C)C)c1	732714415	RNRQNNYADANKQD-WTKPLQERSA-N	416.344	5.555	30	20	HKED	
C#CCN(C(=O)Nc1cccc(C)c1C)[C@@H]1CCOc2ccc(Br)cc21	733614918	GCIMQANHONTIKE-LJQANCHMSA-N	413.315	5.057	30	20	HKED	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	733679124	DJGRJDCZNGGATI-DOMZBBRYSA-N	400.862	5.246	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c1	733802082	WJXYGZWVAMWRTC-CZUORRHYSA-N	406.313	5.235	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3-c3ccccc3C2)c1	733804291	BICOVOBKMGAYFD-QFIPXVFZSA-N	411.505	5.260	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc2ccccc2s1	734205030	AXZGUKOZBKHNLJ-JXFKEZNVSA-N	412.518	5.834	30	20	HKED	
N#Cc1ccc(F)c(COC(=O)c2csc(-c3ccc(Br)s3)n2)c1	738663550	STJVQEMRQNQKFS-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nnc(-c2ccccc2)o1	738749961	UHLWHNVKCAOIEP-MRXNPFEDSA-N	410.433	5.270	30	20	HKED	
CC(C)CN(CCC#N)C(=O)c1cccc(Sc2cccc(Br)c2)n1	741678403	RAQCPCSCBPPKNS-UHFFFAOYSA-N	418.360	5.007	30	20	HKED	
C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)c1)C(=O)O	741843802	QLMLRAXGJIFFPX-ZQNFCJTASA-N	410.413	5.089	30	20	HKED	
Cc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)ccc1-n1cncn1	742429303	LJDNJQPJFHASEX-XSFVSMFZSA-N	422.513	5.609	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1OC	744028969	NZBQMIQFXBGBRE-LUAWRHEFSA-N	416.521	5.161	30	20	HKED	
Cc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1C	745724696	VFJRZDJUVKDUDH-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
N#Cc1ccc(/C=C(/C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)s1	748997707	GVSVCEFSRCRJOF-WOJGMQOQSA-N	418.909	5.006	30	20	HKED	
CC[C@@H](C(=O)N1CCC(/N=C\c2c(O)ccc3ccccc23)CC1)c1ccccc1	749105724	XMIFUOLUMFSDNC-SOSVVEOHSA-N	400.522	5.149	30	20	HKED	
C=CCC[C@@H](NC(=O)N(CC)CCc1ccccn1)c1ccc(C(F)(F)F)cc1	750440576	CJZUXUIQMJHCLI-HXUWFJFHSA-N	405.464	5.382	30	20	HKED	
C#CCCCCNC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	758589372	PSIAZHPAAMOTFJ-UHFFFAOYSA-N	417.431	5.191	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1ccc(Cl)nc1	758985294	DKGMCIRIDTZVCX-POHAHGRESA-N	403.869	5.146	30	20	HKED	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C/C(=O)c2c[nH]c3ncccc23)c1	761813756	XBVPMRVTLXTHJW-ZHACJKMWSA-N	400.482	5.086	30	20	HKED	
CC(=O)Nc1ccc(C(C)=NO[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc1	763172135	WMYRAIZFSKINRB-OAHLLOKOSA-N	411.889	5.764	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	767739750	JRLNEXXMZRJDEH-CQSZACIVSA-N	423.724	5.100	30	20	HKED	
N#C[C@H](COC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)Cc1cccs1	772730810	AFTFDULIWLAVDB-BPQIPLTHSA-N	408.548	5.333	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)ccc1OC	772980946	WNMMYTFCFFVMRE-QFBILLFUSA-N	420.431	5.052	30	20	HKED	
C[C@@H](Oc1cccc2ccccc12)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	774055977	RGICUSIESFWKPA-PBHICJAKSA-N	405.404	5.228	30	20	HKED	
CCN(C(=O)c1cc2cc(OC)ccc2nc1Cl)c1ccc(C#N)c(Cl)c1	775490943	DQVAVUVRJXOSIY-UHFFFAOYSA-N	400.265	5.089	30	20	HKED	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)c2ccccc21	780738306	DJQKEFJJVXHRSA-YADHBBJMSA-N	407.514	5.492	30	20	HKED	
Cc1c(O)ccc2c(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc(=O)oc12	782230039	DCPKGZDSCMWCMO-KRWDZBQOSA-N	410.473	5.197	30	20	HKED	
N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nccc2ccccc12	792091854	NQYCTEDUJQBLHL-QFIPXVFZSA-N	408.457	5.069	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1	792122037	YCQLQZFEOOGYPV-MRXNPFEDSA-N	410.905	5.239	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCOc3c(C)cc(Cl)cc3C2=O)cn1	792884970	GQXTWSKYEHDPHD-MHWRWJLKSA-N	406.869	5.163	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](CCOC)c1ccc(Cl)c(Cl)c1)c1ccncc1	806819219	NPYXFDCTLVZPIT-RTBURBONSA-N	408.329	5.083	30	20	HKED	
COc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1OCc1cccnc1	810133241	FSBKWUAVMKRSCV-UHFFFAOYSA-N	413.399	5.172	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1O	811593634	FXRHQIKRGMRWAX-UHFFFAOYSA-N	418.518	5.592	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1	813181242	DUAWEYSMJLQFII-UHFFFAOYSA-N	413.342	5.245	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2c(F)cccc2s1	914743839	LNQNHNAABMJQCV-MYJAWHEDSA-N	413.358	5.680	30	20	HKED	
COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915351698	BEJHIYLXOHROLO-GAJHUEQPSA-N	415.493	5.242	30	20	HKED	
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	916383696	ONLABLKVPDOSTG-UTKZUKDTSA-N	404.897	5.710	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1	916409859	LEBUNALTPOVPOW-UHFFFAOYSA-N	407.420	5.072	30	20	HKED	
CCCCCCNC(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1	916873280	RFZOTYMMSJRXQY-CQSZACIVSA-N	411.552	5.044	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)CCCC2	916906092	RCYOQYIVJDQYDJ-QFIPXVFZSA-N	410.473	5.319	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976497	PSVDNQCXBCTZKV-KSSFIOAISA-N	412.967	5.962	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)CC2CCC2)cc1	920060382	LRCIYWNGFPPEOI-SANMLTNESA-N	409.533	6.176	30	20	HKED	
O=C(OCCC(F)(F)F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F	928991507	BBFITDKRRYCHCQ-UHFFFAOYSA-N	420.231	5.019	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc4c3CCCO4)CCC2)cc1	1791247873	KONNRNLICXYFRN-INIZCTEOSA-N	424.566	5.033	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1	1791302519	OGYKCXZMONBEIQ-OAQYLSRUSA-N	424.438	5.078	30	20	HKED	
Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2ccccc12	6220893	ZBOYAUPATHITNT-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C)c2)cc1	10167364	AVGQAUCXAUASRE-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
C=CCn1c(SCCCc2nc(-c3ccccc3)no2)nnc1-c1cccc(C)c1	27368937	WQMSCWDMEHJAFV-UHFFFAOYSA-N	417.538	5.214	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C	32787677	YTPLPDHRAVDNLX-IBGZPJMESA-N	420.582	5.099	30	20	HKED	
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(C2CCCCC2)cc1	61972147	WXNOFNZKLXXGLC-HSZRJFAPSA-N	403.526	5.058	30	20	HKED	
C[C@@H]1CCCN(CCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	63758375	ISOVXOIUEJOMJB-HXUWFJFHSA-N	421.610	5.092	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1	72069534	VEGZOUWGIPWYFS-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c1	78612872	MHIFEGZDFWQOBJ-UHFFFAOYSA-N	400.906	5.122	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1	303561830	LJFNPMCFNXSUJT-OAQYLSRUSA-N	418.493	5.243	30	20	HKED	
N#CC1(CCCN2CCCc3c(NC(=O)CC4CCCCC4)cccc32)CCOCC1	410377267	ZCLCVENGPQGYQI-UHFFFAOYSA-N	423.601	5.449	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1	429081979	UTZLVNRBMUUWOY-DNVCBOLYSA-N	405.420	5.033	30	20	HKED	
CC(C)(C#N)CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F	433612374	KZZIZSHPODPMGE-UHFFFAOYSA-N	424.488	5.226	30	20	HKED	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1	434519783	BYTMUQDECJMXMB-HOTGVXAUSA-N	403.448	5.377	30	20	HKED	
COc1cc(-c2nc(CN(Cc3ccc(C#N)cc3)CC(C)C)cs2)ccc1O	436938269	TVDJJLGHRGMCMA-UHFFFAOYSA-N	407.539	5.054	30	20	HKED	
N#Cc1ccccc1Cn1cccc1CNc1ccc(C(=O)N2CCCCCC2)cc1	437257450	NVUZAEWLSXULSM-UHFFFAOYSA-N	412.537	5.036	30	20	HKED	
CN(C)c1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C(F)(F)F)c1	437908726	OJJYJRUWSXSLIC-PXNSSMCTSA-N	416.447	5.075	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1	441536431	ARKARVVIBOZGPK-FQEVSTJZSA-N	401.432	5.426	30	20	HKED	
CC(C)c1ncc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	442976074	LBOFQNVEHWPHLF-UHFFFAOYSA-N	416.550	5.036	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1c(F)cc(C#N)cc1F	445916190	RIAQOMGCODBSHW-UHFFFAOYSA-N	412.367	5.337	30	20	HKED	
CC(C)c1nc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)c2ccccc2n1	447326749	SHLAXPFROFWQLV-QGZVFWFLSA-N	404.539	5.181	30	20	HKED	
CC(=O)c1ccc(CC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1	460154190	IUCCJQKJXBVGPQ-UHFFFAOYSA-N	402.881	5.190	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	463142725	FNZKNEOVNKBMLD-MRXNPFEDSA-N	402.425	5.337	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464462565	AIORWPUDPXSCMX-QGZVFWFLSA-N	407.351	5.254	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1	466248919	VZAVJNVXJPDPGQ-UHFFFAOYSA-N	413.521	5.356	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1	466417849	RQFZFIKKPHWPJK-UHFFFAOYSA-N	419.506	5.062	30	20	HKED	
CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	468833233	DDWPVVZGZRXSNL-UHFFFAOYSA-N	416.506	5.301	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	469021062	RPLWYJNQXHCMAX-LJQANCHMSA-N	403.507	5.483	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccccc1-n1cccn1	470597751	CDDUBAQDSKCZKR-IAGOWNOFSA-N	405.527	5.149	30	20	HKED	
C[C@@H](NC(=O)c1cc(COC(C)(C)C)on1)c1ccc(-c2cccc(C#N)c2)cc1	472003300	RFPJJIVDSUWXDG-MRXNPFEDSA-N	403.482	5.019	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C(F)(F)F)o1	472349232	LWCAULIOOASTBX-IBGZPJMESA-N	414.383	5.181	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)N(CCC#N)Cc1ccccn1)c1ccccc1	473829543	ODWAKUHODPJSNY-LJQANCHMSA-N	400.482	5.169	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1	474450108	VVCNPIAWSFOOGS-QGZVFWFLSA-N	420.494	5.277	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(F)c(F)c1	477742632	MIWMABMQKMBSSB-USCONSEESA-N	400.469	5.049	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	480794829	CPGQOGMIEFKXBC-LIRRHRJNSA-N	403.404	5.545	30	20	HKED	
C=C(C)Cn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1ccncc1	481351957	XZAYZVKJGBTEJD-UHFFFAOYSA-N	421.957	5.719	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1	486230505	SKXOVZFUZFBYKM-UHFFFAOYSA-N	424.566	5.744	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	487174076	BMNNJQJNTPVOSH-OAQYLSRUSA-N	403.551	5.521	30	20	HKED	
N#Cc1ccc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)s1	487255948	ODSIQZCKFYMUEL-UHFFFAOYSA-N	407.539	5.122	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(C)cc1	489639642	YXVRZANSHXGKMC-INIZCTEOSA-N	424.595	5.281	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(C)C)c3)o2)cc1	489789423	JKVYEHNYXXRUNG-UHFFFAOYSA-N	409.511	5.156	30	20	HKED	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	490790138	DMYCBOBIXZUHTM-GOTSBHOMSA-N	423.532	5.003	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc3nc(C(F)F)sc3c2)c1	493011741	VTGXYCIETUAWAS-UHFFFAOYSA-N	402.426	5.560	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	497377210	SRANOBXEUUROPY-JVDDPLHJSA-N	424.429	5.117	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	500433054	MWQKUCATFVYJQZ-QHCPKHFHSA-N	401.535	5.087	30	20	HKED	
COc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1	502615846	CYXBFDMBXUEDDH-UHFFFAOYSA-N	403.438	5.320	30	20	HKED	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc(C#N)ccc1Cl	505103048	DEYRULZDNOZJAA-UHFFFAOYSA-N	424.715	5.009	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)o1	505442584	ULOKZJPKJLCNBX-UHFFFAOYSA-N	422.440	5.214	30	20	HKED	
CN(C(=O)c1sccc1C#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	513401194	FRJJCMSNUNMMRM-UHFFFAOYSA-N	403.385	5.102	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	513684508	GWJYNACVDAFXHC-RDPSFJRHSA-N	406.526	5.111	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1OC	513949993	KFRLWJVYXTYXGD-UHFFFAOYSA-N	424.909	5.308	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c2cnn(C(C)C)c2n1	515495854	JQTJKKWTLVOGID-SFHVURJKSA-N	423.520	5.350	30	20	HKED	
C=CCc1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc(OC)c1OC	517459924	YPKKUJJXKRLZFR-QFIPXVFZSA-N	404.510	5.281	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1c(F)cncc1F	518351746	OXZMZTSAIRQZGJ-OAHLLOKOSA-N	422.435	5.002	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1	518753470	OSAHBUSTRNCFES-MJGOQNOKSA-N	412.559	5.023	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2ccc(N[C@@H](C(N)=O)c3ccc(C#N)cc3)cc2)c1	523387981	QRLWEJKFEGGJNU-RUZDIDTESA-N	413.521	5.208	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	524942465	JGAZHAVDNNADQP-KBPBESRZSA-N	421.312	5.163	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)cc1	525446831	DXFVETDVRDLDKK-NRFANRHFSA-N	421.485	5.310	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1Cl	525658408	XUTHZURMZWSOLU-FQEVSTJZSA-N	405.841	5.085	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1	530830139	QDXQMRDPJLKNCK-UHFFFAOYSA-N	415.783	5.253	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C1CC1	536325071	OVEQUWGNCQRGRU-KRWDZBQOSA-N	414.509	5.956	30	20	HKED	
COc1ccc2nc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2c1	536717885	GXKYPUPXVGRILV-CQSZACIVSA-N	421.428	5.135	30	20	HKED	
C=CCC[C@H](NCc1nc(Cc2ccccc2)no1)c1ccc(C(F)(F)F)cc1	538232437	CNSDVICVXFYMRU-IBGZPJMESA-N	401.432	5.476	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(F)c1	538551744	QPMXDFBXJMHYSC-UHFFFAOYSA-N	406.388	5.392	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1	552655699	AOVYQEUNOKRXJM-UHFFFAOYSA-N	405.498	5.252	30	20	HKED	
Cc1c(Br)cccc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564517064	JODJVCUNYJWIBH-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CSc3nccc4ccccc34)cc2)ccn1	571490081	VWNCQKQATVOWOI-UHFFFAOYSA-N	412.474	5.025	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2[nH]1	587988768	OOOCAIXGWPOMNF-CYBMUJFWSA-N	412.396	5.195	30	20	HKED	
N#Cc1cccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)c1	603520300	GAJZYJJXAQHORZ-XMHGGMMESA-N	405.457	5.116	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603623644	KPCIJULDSUJYPE-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1	603670421	LRQIJXNUXDWDDU-CQSZACIVSA-N	421.324	5.252	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	609213548	VBVDHFRKXHDZEZ-FQEVSTJZSA-N	420.513	5.040	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1	609430444	YIITWPCVLGTQHZ-SNVBAGLBSA-N	421.400	5.199	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434252	LKAYUABMUASKFQ-UHFFFAOYSA-N	415.493	5.597	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1	609508823	BOEGCOBVGQVGKW-OVKIHRCZSA-N	410.517	5.321	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1	609696394	BKRKBUHTBNSCDS-FOIQADDNSA-N	408.379	5.054	30	20	HKED	
CC(=O)N(C)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	609724424	MFPJKBPYERKJBN-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)cc2)cc1	609859747	VZIGQBFSWHFTRX-UHFFFAOYSA-N	413.433	5.046	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cc(F)ccc1F	610141768	MTNLYGNYKUCTID-FQEVSTJZSA-N	408.408	5.297	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)cc1	613319224	WIKRGIRWTZPQAQ-LJQANCHMSA-N	418.909	5.448	30	20	HKED	
C[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	674441750	CPPBZNCDSIHZMA-XXILOJSOSA-N	407.276	5.008	30	20	HKED	
CC(=O)c1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C	684009181	ABBNJPMWTHHBKI-HNNXBMFYSA-N	402.397	5.316	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc2ccccc12	726319876	OPPCARSBXNCRNI-QGZVFWFLSA-N	411.288	5.427	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1Cl	726473415	KHCLPQQHVTWAHD-UHFFFAOYSA-N	412.946	5.037	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728062212	JVDQYMQKFCJNEF-KRWDZBQOSA-N	411.933	5.016	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1	729574553	ZAXIMTIXMYFLHR-UHFFFAOYSA-N	422.529	5.595	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)c1ccc(N2CCC(O)CC2)cc1	730084589	FXQISQLEQSFOLB-PKNBQFBNSA-N	407.510	5.411	30	20	HKED	
N#Cc1cccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)c1	730436597	SVQFGDYBUBOJOS-PTNGSMBKSA-N	421.319	5.657	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1ccc2ccccc2n1	730687407	UYJABZSHGCSAEN-UQBPGWFLSA-N	414.411	5.510	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc2cc(F)ccc2s1	730695790	MOPLEXQRPHEHAV-MELADBBJSA-N	405.281	5.722	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CC1CCC(c2ccccc2)CC1	731136655	TYEMVSRKXREHNO-DQVLVPHSSA-N	404.510	5.097	30	20	HKED	
CCc1cc2oc(=O)cc(CNc3ccccc3S[C@@H](C)CC#N)c2cc1Cl	731664538	LYYCUFKXCGURIX-AWEZNQCLSA-N	412.942	6.015	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)Cc1ccc(OCC#N)cc1	731988006	ZVZQHAFEPZOTBQ-UHFFFAOYSA-N	420.896	5.311	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)c1	735579442	DUFDFNHHCRQURJ-LADGPHEKSA-N	405.542	5.503	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3OC)cc2)cs1	741469982	OALIQWHWYLPVFQ-YPKPFQOOSA-N	406.507	5.088	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F	744025438	MJTYSTOMXCIYGY-LRDDRELGSA-N	408.807	5.200	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	745947636	HRRSVHOVOFFPAA-DNVCBOLYSA-N	410.926	5.745	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1ccc(-c2ccccc2OC)cc1	747704636	DJNRIPCKYXVRGQ-XNTDXEJSSA-N	401.462	5.225	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(CC(C)C)cc1	752477026	JUIFUBCRNKWXBM-QHCPKHFHSA-N	404.554	5.290	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Cc2ccccc2CC#N)c1	752920596	XRWZTUBHPAGJOR-XNMGPUDCSA-N	410.517	5.061	30	20	HKED	
CCn1c(SCC#Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC	754272023	ZDMQBNPSKCSBEF-UHFFFAOYSA-N	417.456	5.136	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](c3ccc(F)cc3)C(C)C)n2)cc1	756530093	RMPHBXWUPJSAJF-PZJWPPBQSA-N	408.498	5.574	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	760194318	BUGMILRGJBIIMJ-ABAIWWIYSA-N	417.317	5.688	30	20	HKED	
Fc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c2ncccc2c1	760226691	MLEQOEJZHRMRSG-UHFFFAOYSA-N	418.284	5.110	30	20	HKED	
N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(Cl)c([N+](=O)[O-])c1	764300803	DNMUTOLDXGFHAZ-QWHCGFSZSA-N	410.644	5.169	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1=S	765046754	GZDJSNLFLBTMRY-RTBURBONSA-N	421.595	5.058	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1	773096414	VOGYTRYBZJNADR-IIBYNOLFSA-N	418.459	6.020	30	20	HKED	
C[C@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc(OCC#N)cc1	775586479	QAPKTFRIRJNIER-RBZFPXEDSA-N	403.295	5.292	30	20	HKED	
N#CC1(c2ccc(COC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)cc2)CC1	777143078	WVOUVNIYFBKTAG-DEOSSOPVSA-N	423.468	5.053	30	20	HKED	
N#CC1(c2ccc(COC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)cc2)CC1	777143079	WVOUVNIYFBKTAG-XMMPIXPASA-N	423.468	5.053	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)n1	781208537	ICZDVJOKGYAQAK-UHFFFAOYSA-N	409.635	5.096	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)cc1	781553014	HDVDDCQAMFYIIJ-DHZHZOJOSA-N	412.898	5.230	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC=C(c3ccccc3)C2)cc1	782567963	XPUIGOYLKXGMOH-UHFFFAOYSA-N	411.461	5.290	30	20	HKED	
Cc1nnc(SCc2c(C(=O)OCCCC(C)(C)C#N)oc3ccccc23)s1	783229704	IFEQEYZRYZJZDJ-UHFFFAOYSA-N	415.540	5.372	30	20	HKED	
C=CC[C@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccncc1	788792424	YUXBRALNYDKYPQ-RBBKRZOGSA-N	419.504	5.165	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)n1	788827614	YBSXVPYQGFUTEX-UHFFFAOYSA-N	423.969	5.124	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cc(C(F)(F)F)cnc1Cl	790786211	UUCCOJNGFALQNV-UHFFFAOYSA-N	405.763	5.065	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2Br)c1	792503402	SWMFBZFPLBWGCK-CYBMUJFWSA-N	422.710	5.105	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/COc3c(ccc(Cl)c3Cl)C2=O)cn1	792884418	KOIKIDPOHICHIH-JYRVWZFOSA-N	413.260	5.118	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	793465468	BKGPNUMLZZCCLR-ULQDDVLXSA-N	417.575	5.055	30	20	HKED	
C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)[C@H]1c1ccccc1	797549462	KKUVCVCESXKSHP-PQSSYKNCSA-N	400.425	5.541	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1OCC	797571287	PNMZLXVQXVZNII-INIZCTEOSA-N	414.571	5.392	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1	798816107	HKKVCBCOBPDPHA-LIRRHRJNSA-N	416.443	5.281	30	20	HKED	
C[C@@H](OC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(Cl)cn1	805924651	NLMBAMIIASPTNZ-CQSZACIVSA-N	418.324	5.171	30	20	HKED	
Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	806265131	KRVDGRPMNDTLEZ-JPYJTQIMSA-N	423.582	5.367	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccc(Cl)cc1F	806273530	CQSIDWXFQFQGPR-HMILPKGGSA-N	420.937	5.022	30	20	HKED	
C=CCSc1nc2ccccc2n1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1	808239392	JGIYSBZQLVKNIB-LJQANCHMSA-N	409.559	5.150	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	808816523	QPAUJFDBKGIOBE-RPBOFIJWSA-N	413.521	5.966	30	20	HKED	
COc1ccccc1-c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)no1	915084987	CLHKCFVUIKEQEI-OAQYLSRUSA-N	409.445	5.258	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1	915350453	VZEGSYXCNMHRLD-JOCHJYFZSA-N	424.479	5.553	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2cccs2)cc1	915710679	VZUNFBVHFRHOLK-HXOBKFHXSA-N	419.550	6.075	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	916152322	YOOSBBAURKTIJQ-PKNBQFBNSA-N	408.251	5.508	30	20	HKED	
Cc1sc2ncn(N=Cc3ccccc3Br)c(=O)c2c1-c1ccccc1	916283541	GMVWNVCWTXSTSA-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2c(c1)Cc1ccccc1-2	916917283	CIDJVRRFWQLKDK-XMMPIXPASA-N	402.453	5.372	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997213	TWCYMVYOJKNUKE-MRXNPFEDSA-N	419.308	6.065	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1cccc(Oc2ccccc2)c1	917030391	YLQKZVORFFIKRZ-UHFFFAOYSA-N	416.506	5.307	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1	917045038	WDKBPVANGORPAB-CQSZACIVSA-N	407.347	5.713	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)ccc2c1	920102806	ZMCOCFJOQTUQSD-DTDSUUGDSA-N	408.457	5.243	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	920266130	YIFBVLBZPDETCM-KRWDZBQOSA-N	414.461	5.014	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	920804501	SGNSVFUFGXFPBH-AWEZNQCLSA-N	418.465	5.337	30	20	HKED	
Cc1cccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	920805802	GAFLSGBGFPBOMN-MRXNPFEDSA-N	412.461	5.432	30	20	HKED	
N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2cc3c(nc2O)CCC3)cc1	1299466950	PEVGGWYADJKDEE-UHFFFAOYSA-N	421.909	5.204	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1	1820801898	CXXNYKCQGJBWIM-IBGZPJMESA-N	400.567	5.141	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1821923994	UNCCSRMGAIZKGE-UWJYYQICSA-N	408.546	5.051	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1	1826257697	AURAFEJJVFQFRF-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831694804	LZNJHYXAXNOVFW-GMKZXUHWSA-N	414.634	5.016	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccccc2)c1	7746849	MQIAOJXGFTVLFR-UHFFFAOYSA-O	401.964	5.302	30	20	HKED	
C=C(Cl)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CCCCC1	8645627	XQQNIFAKXFKXNA-UHFFFAOYSA-N	423.966	5.321	30	20	HKED	
Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	32290495	PQELDFFZWZQTPK-UHFFFAOYSA-N	421.500	5.484	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccncc2)cc1	48161703	YJNHIYVPPDELQJ-XMMPIXPASA-N	412.493	5.096	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c12	54736879	NNQPUBGCMKUNCM-INIZCTEOSA-N	415.497	5.249	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1	58932143	NDNRNMOJEAIORF-UHFFFAOYSA-N	420.513	5.027	30	20	HKED	
C=C(Br)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1	59928342	NMHBCOKWCZDNLH-UHFFFAOYSA-N	410.724	5.241	30	20	HKED	
C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1	61139237	HAAOXVRHDBRCBH-GFCCVEGCSA-N	416.333	5.408	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1	65870010	MAEPNPXXOWLTAF-UHFFFAOYSA-N	413.521	5.425	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C)c(C)n2C2CCCCC2)cc1	71843578	LVTGUPDOTRXRQA-HXUWFJFHSA-N	424.614	5.741	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1cccc(C)c1	96946709	PJBMAKAMDRFEPS-OAQYLSRUSA-N	420.582	5.141	30	20	HKED	
COCCOc1c(Cl)cccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	97547730	XEDJJMHKOCNRKB-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1F	111181927	SZUUXQCHEPPKRV-KRWDZBQOSA-N	418.255	5.101	30	20	HKED	
C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(NC(=O)c2ccncc2)cc1	301243640	AJWPAASQAMJHKT-AWEZNQCLSA-N	410.399	5.397	30	20	HKED	
CC(C)(C)c1ncc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	303035879	RURCCFYPWPHMIT-UHFFFAOYSA-N	407.514	5.294	30	20	HKED	
CCCCCCCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1	303074624	QPDHRSWTHXIAJI-QGZVFWFLSA-N	418.969	5.652	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccccc1	303622763	PRNBHVFGEPLSRU-GOSISDBHSA-N	402.519	5.048	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C	410352113	ODGAOCWTVAVKRF-UHFFFAOYSA-N	414.431	5.025	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(-c3ccccn3)nc3ccccc23)s1	430600280	HDGVQTZCCXGWOY-QGZVFWFLSA-N	412.518	5.541	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3c(Cl)cc(F)cc3Cl)c2)c1	431471260	MQRGCUOEYAULRQ-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1	432586162	YHNJKAWLHDGSPL-FQEVSTJZSA-N	405.542	5.055	30	20	HKED	
C=CCn1c(Sc2nc3cc(Cl)cc(Cl)c3o2)nnc1-c1ccncc1	433023920	ARVDKQZWOOLXPE-UHFFFAOYSA-N	404.282	5.125	30	20	HKED	
N#CCCC[C@@H](NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccccc1	433031281	IJZIJYTVRKAHKZ-KAYWLYCHSA-N	423.560	5.185	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1Cl	434147194	CQEHYCOVCIWTHS-RDTXWAMCSA-N	421.850	5.802	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCOc3ccccc32)cc1F	438669725	UELLXAHWIROZIE-QGZVFWFLSA-N	417.440	5.177	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCC(C)C	438848707	QCQVNSYOOYVZQI-RXVVDRJESA-N	409.530	5.135	30	20	HKED	
Cc1ccc(Oc2ccccc2)c(NC(=O)CCc2c(C)nn(CCC#N)c2C)c1	440613821	RVJCPWIVRNTCOU-UHFFFAOYSA-N	402.498	5.086	30	20	HKED	
N#Cc1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(OC(F)F)c1	441073872	YBVQEEUUPFSDFX-CYBMUJFWSA-N	417.403	5.015	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(OCC2CC2)CC1)c1ccc(C(F)(F)F)cc1	441529047	GQKWFSTWCHWUSJ-FQEVSTJZSA-N	410.480	5.313	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	445047506	JGIAAWDEZACIGS-NSHDSACASA-N	407.927	5.047	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	460254287	KQWPFQHCBZNLDQ-UHFFFAOYSA-N	420.534	5.933	30	20	HKED	
CCN(C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@@H]1CCOC(C)(C)C1	460878693	FOISSZLXHOLKCG-FDDCHVKYSA-N	405.542	5.275	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(Cl)c1	464930273	QXEIUCMXWXUKKL-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(=Cc2ccccc2F)CC1	465253038	MPYADIZBTYTLRB-KRWDZBQOSA-N	409.530	5.931	30	20	HKED	
O=C(Nc1cncc(F)c1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	466462245	KZEOUYPQQKMCOD-QSOZTJJNSA-N	424.360	5.282	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	466895306	YUQFBJOFEVDNIJ-WIYYLYMNSA-N	400.478	5.139	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCc3sccc32)cc1	467171180	SCRYXBLBGIFRAU-JOCHJYFZSA-N	417.534	5.592	30	20	HKED	
Cc1cccc(C2(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCCC2)c1	470766708	RDJBESDHZRPYPC-UHFFFAOYSA-N	415.537	5.029	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3cccs3)CC(F)(F)F)cc2)nc1	470788262	LPPLKMDOXDEWIC-UHFFFAOYSA-N	417.412	5.012	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc3n[nH]cc3c2)cc1Cl	474902464	VBLVXEFGBAMZGL-FQEVSTJZSA-N	400.869	5.053	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1	476659103	KSSSLQZXIHXTAZ-YJBOKZPZSA-N	412.358	5.095	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1	477160219	FSIAUHKRWSARJC-UHFFFAOYSA-N	400.866	5.051	30	20	HKED	
CN(C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCC(F)(F)CC1	481300034	IOLMYGUWHHZGOO-CYBMUJFWSA-N	418.328	5.528	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1csc(CCC)n1	481369520	JZYUUCZGTFBOCM-UHFFFAOYSA-N	400.573	5.053	30	20	HKED	
C[C@@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)C(=O)Nc1ccccc1C#N	481697409	YITGGXCDIIHRAZ-GFCCVEGCSA-N	416.428	5.140	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F	483011073	IFMNERSPGPUHMR-QGZVFWFLSA-N	400.425	5.961	30	20	HKED	
FC(F)(F)c1ccc2oc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)nc2c1	483375263	BFUPFCRRXKRPOO-UHFFFAOYSA-N	406.248	5.163	30	20	HKED	
C[C@@H](NCc1ccc(C#N)c(F)c1)c1nc(-c2ccc(Br)cc2)cs1	483716083	YBVZGBKWGORAQB-GFCCVEGCSA-N	416.319	5.434	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1	484797224	MYBOBTNPINYNRC-UHFFFAOYSA-N	411.221	5.521	30	20	HKED	
COc1ccc(CN2CCC(c3c(F)cccc3F)CC2)cc1OCCCC#N	485724104	KFALGZPRHOSOFO-UHFFFAOYSA-N	400.469	5.036	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCc3ccccc3)s2)c(C(F)(F)F)c1	487318781	FBSPQORQRKISGV-UHFFFAOYSA-N	415.440	5.196	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccn1	488941205	XVURSACEGVFKNO-QGZVFWFLSA-N	421.570	5.077	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12	489129057	PWRJDNMFGGWTGE-UHFFFAOYSA-N	407.562	5.158	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	494635223	IZQWJLOOXVGAAG-JOYOIKCWSA-N	422.316	5.312	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	497805515	XLAKKBWLZRGMRN-FGZHOGPDSA-N	420.434	5.621	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1cc(Cl)ccc1Cl	501021228	VEDIYUBAJBZJMO-UHFFFAOYSA-N	401.249	5.070	30	20	HKED	
Cc1sc(NC(=O)CSc2ccc(C#N)cc2)nc1-c1c(F)cc(F)cc1F	504710352	ARNLAPJDVYFMBX-UHFFFAOYSA-N	419.453	5.138	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(N2CCc3ccccc32)CC1	504796635	ZEQRDCAKISABIA-UHFFFAOYSA-N	403.570	5.598	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	506787949	CNOGSAVRKGMDHR-OAHLLOKOSA-N	407.514	5.284	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(c2ccccc2)CC1	508476496	FCHZZUYATMHMIO-UHFFFAOYSA-N	420.582	5.149	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC(=Cc2ccccc2F)CC1	508491504	GLOSTTCTXLDDOZ-UHFFFAOYSA-N	418.516	5.004	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1Cl	510022471	DTWDJEBDOIPOFV-FPOVZHCZSA-N	421.953	6.426	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	510830502	PDTFOHROAQDTIE-UHFFFAOYSA-N	415.399	5.627	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2o1	510954535	VARGHKSWXMSJOE-IBGZPJMESA-N	402.837	5.550	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cc2ccccc2o1	511529099	AJRIGKNTVFUEAX-MRXNPFEDSA-N	424.460	5.439	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c(C)c2c1	514607577	MXSXFFDGBTWNBQ-UHFFFAOYSA-N	420.534	5.717	30	20	HKED	
CCCCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nc(C)c1C	514964180	JZIHSJNNUDFVRI-UHFFFAOYSA-N	418.994	5.301	30	20	HKED	
Cc1nc(C(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)ccc1C#N	516469926	RHEHNZYRBWKUGZ-UHFFFAOYSA-N	404.882	5.503	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc(C)nc21	518709300	RWKVDLYAFQHZHL-IIBYNOLFSA-N	403.530	5.003	30	20	HKED	
C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1nc(-c2ccncc2)cs1	518933623	ULEHCYLSMDXNAV-SFHVURJKSA-N	409.514	5.096	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1Cl	519904947	LKUXKVKDSUBNEA-UHFFFAOYSA-N	420.738	5.664	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F	520176705	CCSFLNVBAHSDKO-UHFFFAOYSA-N	418.463	5.333	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C	521114027	OGVFXADFTSMWLF-UHFFFAOYSA-N	406.429	5.118	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3	521726840	LEEACHFDAJZBDU-INIZCTEOSA-N	420.534	5.723	30	20	HKED	
N#CCCCOc1cccc(CNC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1	521820429	VVJKGZASMBGRRB-JOCHJYFZSA-N	415.940	5.088	30	20	HKED	
C=CCOc1cccc(CN[C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)c1	524687776	AUAKQRNUXKHPCS-OAQYLSRUSA-N	406.551	5.551	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	531027347	KSORUKYBHKEDQE-CQSZACIVSA-N	424.957	5.546	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)cc1Cl	535609563	HVMMZYIPPPBWII-QUCCMNQESA-N	422.912	5.368	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cnc2ccccc2c1	540808259	LCVZYHIOKFNEJM-UHFFFAOYSA-N	402.523	5.192	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2)cc1	541203489	SECFRWZOJKVZKR-OAQYLSRUSA-N	409.445	5.058	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1C	543861340	JLMWXSSOWXCDDT-UXHICEINSA-N	422.532	6.304	30	20	HKED	
C=CCn1c(SCc2cccc(N)c2)nc2scc(-c3cccs3)c2c1=O	554040898	SZGLHCNDWISVJI-UHFFFAOYSA-N	411.577	5.247	30	20	HKED	
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc2c(c1)OCO2	555958629	LBPKKZGCPUACED-LBPRGKRZSA-N	422.428	5.182	30	20	HKED	
Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CC1	558312387	HEUHBIRBSXCKMI-HXUWFJFHSA-N	421.888	5.010	30	20	HKED	
C=CCc1cc(CNCc2cnc(-c3ccc(Cl)cc3)s2)cc(OC)c1O	560067467	UKGWDJUEUJEURZ-UHFFFAOYSA-N	400.931	5.196	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	562105859	RYFFPJHHWFDSRW-MRXNPFEDSA-N	412.449	5.717	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)cc1	566531877	GIUGAVVQTGXASL-QUCCMNQESA-N	412.493	5.464	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCC(C)(C)CCC#N	567098960	IXFWBXYPBOBGHM-CYBMUJFWSA-N	406.393	5.862	30	20	HKED	
CC(C)(CCC#N)CN[C@H]1CCCc2nc(-c3ccccc3Br)sc21	570522552	FWXRFFAUKRQOOM-INIZCTEOSA-N	418.404	5.870	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571132379	CNQWCICMFAWDAB-ROUUACIJSA-N	414.509	5.698	30	20	HKED	
Fc1cc(C(F)(F)F)c(F)cc1Cn1cc(C(F)(F)F)nc1-c1cccnc1	573647150	ATFCEVILOVDOFB-UHFFFAOYSA-N	407.264	5.309	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1C#N	576792358	SMBJFIWMWSNGFK-UHFFFAOYSA-N	422.460	5.037	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)ccn1	579059720	JWHBQXUINWYQEW-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1	581743004	AVNSMZRYIYRNLN-QGZVFWFLSA-N	401.510	5.252	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)CC1	592302103	SNCPVOZFWGMECR-HXUWFJFHSA-N	411.512	5.132	30	20	HKED	
COc1cccc(Oc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)c1	604016373	WWYOOMNJIMFLCI-UHFFFAOYSA-N	404.491	5.231	30	20	HKED	
COc1ccc(-n2c(S[C@H](C#N)Cc3ccccc3)nnc2-c2ccccc2)cc1	604044066	SCTUEKLLDDDOHU-QFIPXVFZSA-N	412.518	5.170	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1	606945180	HWFKHYCCXHFDHE-UHFFFAOYSA-N	419.569	5.419	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	608850993	IFSIUJSUZDESGS-MGPUTAFESA-N	402.416	5.098	30	20	HKED	
CCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c(C#N)c1C	609033587	TULCRIDJWAZZLH-NEPJUHHUSA-N	423.321	5.154	30	20	HKED	
CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cnn1C(C)(C)C	609060403	DAEXXALQQLKADY-UHFFFAOYSA-N	416.525	5.212	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Oc2ccccn2)cc1	609376464	AOWHOKJDUWURJO-QGZVFWFLSA-N	419.506	5.143	30	20	HKED	
CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)C(=O)Nc1ccccc1SCCC#N	609691620	ZFIXLOANVDHHHE-HXUWFJFHSA-N	415.603	5.132	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1cccc(F)c1	609786424	IUZJBNQGQCIVNP-OAHLLOKOSA-N	423.517	5.176	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(C4CCCCCC4)[nH]n3)cc2)nc1	609883289	PWYPQQVMDUYYJS-UHFFFAOYSA-N	401.470	5.159	30	20	HKED	
COc1cc(CS[C@H](C)C(=O)OC(C)(C)C)ccc1OCc1cccc(C#N)c1	610009416	YGEBXGPJFLEISZ-MRXNPFEDSA-N	413.539	5.109	30	20	HKED	
CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	610053651	PORGGUOYRSKVGU-QFIPXVFZSA-N	416.525	5.280	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCCCC2)c1	610143930	FOTUEAWRAGCIPC-UHFFFAOYSA-N	408.502	5.195	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(-c2nc(C3C[C@@H]4CC[C@H](C3)N4C)no2)cc1	612955422	YUZQDJNSXPWUDD-IHWFROFDSA-N	400.482	5.049	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(F)cc(Br)c3)n2)cc1	613318009	DNIBZXOIMZGDPK-MRXNPFEDSA-N	415.287	5.510	30	20	HKED	
C[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cccc(C#N)c1	614843891	KTBIMIYTLACECY-ZDUSSCGKSA-N	400.356	5.208	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC	616126329	RKNZNINBCYEOCE-JOCHJYFZSA-N	408.542	5.601	30	20	HKED	
CC(C)(C#N)CCCCS(=O)(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	618135266	DTRKJVWZKLHULM-UHFFFAOYSA-N	424.393	6.218	30	20	HKED	
Cc1nc(CC2CC2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	682766245	RKEVOBPPKKWGHA-LBPRGKRZSA-N	421.469	5.523	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C	726290716	KVCSKNIZBGWMAD-UHFFFAOYSA-N	423.582	5.135	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(C3SCCS3)cc2)c1	728184938	BCUIBZXUOKJENE-UHFFFAOYSA-N	405.544	5.587	30	20	HKED	
COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1[N+](=O)[O-]	730148217	ZXXAKVUSFPZKEZ-LGMDPLHJSA-N	416.458	5.637	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730421879	QZRPFHYHVBSDEA-ZYHUDNBSSA-N	408.376	5.098	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)N[C@@H](C#N)c3ccccc3Br)ccc2c1	733266113	FPYQQYCVJIOPOF-AKERNLMBSA-N	421.294	5.005	30	20	HKED	
N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1nc(-c2ccncc2)cs1	734083036	KZAJNYDTQSNJIJ-CQSZACIVSA-N	422.560	5.173	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2o1)c1ccncc1	740481387	WARVJRWTOPOMPF-HSZRJFAPSA-N	415.493	5.758	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(-c2ccccc2OC)cc1	741468113	CEMHMLUDFUJSCB-BUHFOSPRSA-N	404.462	5.284	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccn1	742649271	LUEJUHZTXSMXIZ-KRWDZBQOSA-N	403.507	5.165	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)s1	744038416	UIPUVPUTTMQIQP-LJTDUEICSA-N	400.454	5.075	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1ccccc1	747193235	FJGXSRHGKAFZCB-QRRJMBGHSA-N	402.519	5.692	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)n1	747193290	HUHHEZXTGMREKV-PMACEKPBSA-N	417.534	5.004	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(C#N)cs1)C(=O)c1ccccc1	748440550	NAOHNHIWHYTREY-HMAPJEAMSA-N	414.530	5.650	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1c[nH]c2cc(F)ccc12	749453032	PSIYSHYHYMNWKH-DHZHZOJOSA-N	408.436	5.451	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccc(Cl)s3)n2)cc1	750693853	ZXGVMBFHEHURBZ-RISCZKNCSA-N	402.928	5.514	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)/C=C/c3ccc(-c4ccccc4Cl)s3)nc12	750722235	BHBIXOLZDLYMRG-IQIBNGDESA-N	418.909	5.538	30	20	HKED	
C=C[C@H](CC(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1	758912109	DVDQOBKUBWGNSR-CYBMUJFWSA-N	411.807	5.200	30	20	HKED	
COC(=O)c1ccccc1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	759213880	WQWSJNVDMFGBRT-SFHVURJKSA-N	424.909	5.059	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)C1	766622930	KSGICYHAVIJYCG-SQNIBIBYSA-N	404.938	5.143	30	20	HKED	
CCC(CC)[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cccs1	775210555	HHIIAJCLBIOMDR-HTAPYJJXSA-N	404.539	5.052	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nn1-c1ccc(F)cc1	776813967	WQOCHBIWUBSIPJ-QHCPKHFHSA-N	410.452	5.228	30	20	HKED	
CCOc1ccc(CCC2CCN(C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)cc1	780672063	YSROCGAVDBAZCS-IBGZPJMESA-N	421.541	5.253	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1	789458139	YRBUSVZVRCOYIM-LJQANCHMSA-N	422.447	5.292	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1	789870681	DYOBIZPWOHKMIN-UHFFFAOYSA-N	414.317	5.923	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C2CCC2)cc1	791621004	VIBCCGOJKHFQQC-INIZCTEOSA-N	408.523	5.001	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nccc2ccccc12	792100971	NCUGVAPPIVAQCU-LRDDRELGSA-N	401.318	5.899	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1	793572551	ASWJRZWGMRAHQI-SJORKVTESA-N	407.963	5.023	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1	796038838	HZMSYIPUIDRUDC-UHFFFAOYSA-N	416.264	5.202	30	20	HKED	
Cc1ccc(Cn2nc(C)c(/C=C3/C[C@H](C(=O)O)c4ccccc4C3=O)c2Cl)cc1	806562099	FWTOAXGKAIBXSM-LRJKXPEMSA-N	420.896	5.040	30	20	HKED	
FC(F)(F)c1ccc(Br)c(C=NNCc2cccc3cccnc23)c1	811637682	HWQAGRGWQOJJPF-UHFFFAOYSA-N	408.221	5.140	30	20	HKED	
COc1cc(/C=C\c2nc3cc(Cl)cc(Br)c3o2)ccc1OCC#N	812242261	OOBBZDMZKHPIEH-HYXAFXHYSA-N	419.662	5.325	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(Br)c1	813066750	HBCAAFFTPRCJLN-QMTHXVAHSA-N	403.276	5.178	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1	813215991	MONMPFPKQUKWPF-AWEZNQCLSA-N	411.221	5.017	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cc(F)ccc2OCC(F)(F)F)c1	864017610	SZPXIBQDQIJYSG-UHFFFAOYSA-N	403.173	5.013	30	20	HKED	
O=C(c1cccc(OCc2cscn2)c1)N(O)Cc1cc(Cl)cc(Cl)c1	901380539	YPSCKBGPRMRQEK-UHFFFAOYSA-N	409.294	5.061	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1ccc(OCC#N)cc1	916152252	TUYLBOMVAOWXHJ-KHPPLWFESA-N	412.276	5.286	30	20	HKED	
Fc1ccc(-c2ccc(C=Nn3c(S)nnc3SCc3ccccc3)o2)cc1	916368586	ILRMLDQGTZOGOI-UHFFFAOYSA-N	410.499	5.140	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(Cl)cccc2s1	916907805	NMSMTHBADANLDN-INIZCTEOSA-N	410.926	5.641	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	916950963	VSUPFLQEMTZXTQ-CQSZACIVSA-N	419.289	5.178	30	20	HKED	
CCc1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917045623	YWISZSUJAHZYAC-OAHLLOKOSA-N	404.413	5.133	30	20	HKED	
COc1ccc(-c2nnc(CON=C(C)c3ccc(-c4ccc(F)cc4)s3)o2)cc1	917402904	IVMWQSOFSCJIJD-UHFFFAOYSA-N	423.469	5.554	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2o1	917510127	PKNNVKCJXRIMKV-GXMNPTEKSA-N	424.300	5.755	30	20	HKED	
N#CCOc1ccccc1C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	920113622	IJVVFQFQXBIVSP-ICFVPDRFSA-N	417.534	5.003	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(C)s3)n2)cc1	920143283	OMIOSLQGILUTME-INIZCTEOSA-N	410.520	5.028	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3F)n2)cc1	920792459	QZQRVZVZMOQZRR-KBXCAEBGSA-N	421.497	5.424	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)nc3C)cc2)CCC1	1789919050	RGTDWXDSPNDOSZ-UHFFFAOYSA-N	423.532	5.269	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCC2)CC1	1823846320	WIOAXOQBOPZRHQ-OAQYLSRUSA-N	402.623	5.179	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1ccncc1	6907739	UJMQEMUVPVKPLR-NRFANRHFSA-N	418.953	6.061	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	26147083	PQMPFSZYPQLSGS-UHFFFAOYSA-N	408.417	5.311	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccccc2)cs1	38189307	HLYXUGIAPPNQNG-MRXNPFEDSA-N	404.878	6.214	30	20	HKED	
C[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47570365	ITHNSLWQPAAILG-QGZVFWFLSA-N	417.534	5.544	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1	63390379	RQAIJGZXOMNHIB-UHFFFAOYSA-N	416.506	5.092	30	20	HKED	
CCOc1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	65110923	QHDLMNUORCKSLA-UHFFFAOYSA-N	402.519	5.179	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cnc(-c2ccccc2Cl)s1	140320103	UEFBYCSCVMPSEI-LBPRGKRZSA-N	416.289	5.078	30	20	HKED	
CCCCNC(=O)c1ccc(CNc2c(C#N)cnc3c(F)ccc(Cl)c23)cc1	195666707	NKBBDUFYWYVVNS-UHFFFAOYSA-N	410.880	5.041	30	20	HKED	
COc1cc(/C=C2\CC/C(=C\c3ccc(SC)c(OC)c3)C2=O)ccc1SC	214923011	GAAPJGKGXCJTLU-JYFOCSDGSA-N	412.576	5.978	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	220249399	YCYDQEYSGCGHKD-UHFFFAOYSA-N	400.853	5.004	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1Cl	303294779	BNPWRXGWVHDCKP-UZLBHIALSA-N	413.974	5.510	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1	409528085	GGXYQPLFBGZMHO-UHFFFAOYSA-N	408.571	5.247	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c(Cl)c1	426134060	QLVWMXIWNFXHCP-UHFFFAOYSA-N	402.885	5.470	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc(F)c(F)cc2N2CCCCC2)c2ccccc21	427611818	IRUGFRVIUDRXHA-UHFFFAOYSA-N	422.479	5.466	30	20	HKED	
CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1)c1ccccc1	430605493	RHSBXIIXAJJNEQ-LJQANCHMSA-N	417.534	5.207	30	20	HKED	
CC1CCN([C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c2cccs2)CC1	431725935	FOMVPUAQKHAHJS-FCHUYYIVSA-N	424.614	5.255	30	20	HKED	
C[C@H]1CCCN(Cc2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)C1	431825510	TUNXLZJBCKXWTB-OFVILXPXSA-N	418.585	5.153	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1ccc(C)cc1	433112025	ZBYAQPLBORUTRM-UHFFFAOYSA-N	413.525	5.201	30	20	HKED	
CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	438644950	BMCGYONYNUZTER-UHFFFAOYSA-N	420.538	5.008	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CCC#N)c1ccccc1	440248109	YVYKEPATUJQNNQ-HXUWFJFHSA-N	403.448	5.670	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccccc1	440259140	VSDMDENFSUJRPB-LJQANCHMSA-N	422.916	5.415	30	20	HKED	
N#CC1CCC(CNC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC1	440989037	KBWNYODSSULJJV-UHFFFAOYSA-N	416.978	5.169	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)S[C@H](C)c2cccc(C#N)c2)c(Br)c1	443158980	QVXWVUXJHAZQHY-KGLIPLIRSA-N	403.345	5.451	30	20	HKED	
CCn1c(CSc2ccc(C)cc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1	460307683	FNIRQWMCMDUHQQ-UHFFFAOYSA-N	415.566	5.064	30	20	HKED	
CC(C)(C)c1csc(-c2cccc(OCc3nnc(-c4cccc(C#N)c4)o3)c2)n1	462639402	IBIMMAIFYGYDGU-UHFFFAOYSA-N	416.506	5.608	30	20	HKED	
C=CCc1cc(CN[C@H](c2cccc(OC)c2)c2ccccc2Cl)cc(OC)c1O	462730005	DZGGNQKCHHCERN-XMMPIXPASA-N	423.940	5.671	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1Cl	464921778	PASRECGPRQMKFF-FQEVSTJZSA-N	400.869	5.053	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1	464940525	LFAVEEQYNCZCFQ-QUCCMNQESA-N	407.926	5.375	30	20	HKED	
C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Nc1ncccc1OCCCC#N	466606204	GUCRQNHXEVBKAV-CYBMUJFWSA-N	419.312	5.222	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4c(s3)CCCCCC4)ccc21	469969274	LRCMYTAIORVHHF-UHFFFAOYSA-N	421.566	5.242	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	472681890	AMXQFTCUYMVINU-QUCCMNQESA-N	409.873	5.098	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2	475553134	YDHJNIAVCQEOJN-UHFFFAOYSA-N	414.553	5.535	30	20	HKED	
CC(C)NC(=O)Nc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1	480391533	FOWAZJOTQKJWDU-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(F)c(F)c1	480660516	PKEUOGIWDOWKBT-INIZCTEOSA-N	420.366	5.391	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccc(F)c(F)c1	481218457	NJIOIQIBTSGMTF-JOCHJYFZSA-N	416.468	5.209	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1	481254138	REBPYEDECUVXEM-UHFFFAOYSA-N	402.907	5.234	30	20	HKED	
C=CCCC1(C(=O)N[C@@H]2CCN(C(=O)C3(CCC=C)CC3)c3ccc(OC)cc32)CC1	484053517	QJZOYSSSGXLJBG-OAQYLSRUSA-N	422.569	5.082	30	20	HKED	
N#Cc1cc(N[C@@H]2CCCC(F)(F)C2)cc(N[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-]	486879002	KWCACQMIDRSMAU-ZIAGYGMSSA-N	414.403	5.446	30	20	HKED	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](CCCC#N)c3ccccc3)c12	487214038	XFWVQTGCKAYYQP-JOCHJYFZSA-N	423.520	5.109	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(C(=O)Nc3ccccc3)cc2)c1	492699680	WYPZTWWBFJCYPJ-UHFFFAOYSA-N	406.283	5.185	30	20	HKED	
C/C(=C/c1ccccc1)CN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	493311082	QTPZQINDOVOPHM-ATVHPVEESA-N	402.523	5.173	30	20	HKED	
C=CCN(C(=O)C1CCSCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	495996095	XZOWWEIRIFWWKJ-UHFFFAOYSA-N	420.603	6.139	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl	503226144	OVSAJBHDAVBTBX-WBMJQRKESA-N	420.365	6.054	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccccc1	504864706	SGLZDALKWZUMKX-IBGZPJMESA-N	403.448	5.394	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1	506808806	YWLREUCQFUUUQV-UHFFFAOYSA-N	404.832	5.070	30	20	HKED	
CCN(C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1	509561530	RKZNSISYJJCAOP-INIZCTEOSA-N	414.933	5.478	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccccc2Br)nnc1-c1ccncc1	513275243	CGXHCXLMZQLOFF-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc2ccccc2s1	513668170	ZCFPJZBFJPQFSY-AWEZNQCLSA-N	418.499	5.286	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)o1	515453546	FACPVVICIRHMIY-FQEVSTJZSA-N	406.869	5.361	30	20	HKED	
Cc1cc(CN(C)C(=O)c2cc(F)c(F)c(F)c2F)cc(C)c1OCC(F)(F)F	515729575	ZNNGEUXUSUOHIZ-UHFFFAOYSA-N	423.328	5.073	30	20	HKED	
Cc1nc2ccccc2n1Cc1cc(NC(=O)Cc2ccc(C#N)cc2)ccc1Cl	517664849	DMWKWMAUOHTVGF-UHFFFAOYSA-N	414.896	5.099	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1cccc(C(F)(F)F)c1	518737601	BMCSRULQGXLTCG-UHFFFAOYSA-N	403.448	5.131	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccccc1SCCC#N	520805588	MOSSMAOOCCRXHD-ZDUSSCGKSA-N	421.385	5.574	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	521043760	UCXCMHVGXNNSPG-CQSZACIVSA-N	402.385	5.075	30	20	HKED	
CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	523422172	FRYHATNPGRFTKF-WMLDXEAASA-N	415.588	5.135	30	20	HKED	
COC(=O)[C@H](N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1cccc(C#N)c1	530723332	WDCDHOHAUQXEGA-QMHKHESXSA-N	404.441	5.055	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccc(Cl)c1	532473174	HKUCBUVFZMJSLD-OXQOHEQNSA-N	413.974	5.367	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC=C(C(F)(F)F)CC1	535301266	AORFRLAATHXNSM-UHFFFAOYSA-N	401.388	5.385	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C1CC1	535504514	NBNIEJLVMPZSMN-KRWDZBQOSA-N	414.509	5.434	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)c1C(F)F	535535258	JTVCVICJAQWVDY-CYBMUJFWSA-N	407.490	5.372	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc12	538140693	AAZQCJZVRDCMCO-QZTJIDSGSA-N	403.551	5.523	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2ccccc2)n1C)c1ccc(C(F)(F)F)cc1	540429570	ILDHRZHLDQLQMF-IBGZPJMESA-N	400.448	5.298	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(NC(=O)NC2CC2)cc1	541176037	PAMWCPKDXSFLPD-OALUTQOASA-N	424.548	5.921	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1	541424076	YLTUQAVCNTZETK-MJGOQNOKSA-N	422.598	5.526	30	20	HKED	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	549081002	IBHLBGTWUXNUAU-OAHLLOKOSA-N	410.861	5.073	30	20	HKED	
COc1cc(C)c(Br)cc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	552117652	CZEDHDMWCAXFMH-GFCCVEGCSA-N	407.333	5.010	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2cccs2)cc1	562154730	WSKQUDQDWGAYBR-FQEVSTJZSA-N	409.555	5.177	30	20	HKED	
C[C@H](NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1cccc(C#N)c1	588375538	CRDSXFDJGPAGDI-KRWDZBQOSA-N	401.535	5.060	30	20	HKED	
N#Cc1ccccc1/C=C/c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1	589155207	ZDKQFMKASJYXKL-CMDGGOBGSA-N	408.339	5.452	30	20	HKED	
CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(Oc2ccnc(C#N)c2)cc1	589568031	WLYWTIMKZAQZRC-UHFFFAOYSA-N	404.426	5.053	30	20	HKED	
C=CCn1c(SCCCOc2ccc3ccccc3c2)nnc1-c1cccnc1	589850412	QNFQAQPGUUBKMJ-UHFFFAOYSA-N	402.523	5.241	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)o1	592974425	SAEKQMUULOFPPG-HNNXBMFYSA-N	422.437	5.106	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)c1ccccc1	602138787	PYHOMAPNQAKAEI-QGZVFWFLSA-N	416.452	5.124	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)n2)cc1	602997555	MNSFBBUVGRNKDZ-UHFFFAOYSA-N	424.407	5.501	30	20	HKED	
N#Cc1cccc(CNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1	603596098	AHQLUYHBQBJORB-UHFFFAOYSA-N	424.287	5.047	30	20	HKED	
Cc1cccc(C)c1OCCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604003185	IWUTXXYCQCVNHT-UHFFFAOYSA-N	414.505	5.356	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)c3occc3COc3cccc(C#N)c3)ccc2o1	608811817	PQOBKFOUYHJKRS-UHFFFAOYSA-N	415.449	5.421	30	20	HKED	
N#CCn1c(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc2ccccc21	609201145	ZAKRXIFXUXDXQO-UHFFFAOYSA-N	410.861	5.333	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1	609523248	GUEYKZVVMAVMNZ-LZWOXQAQSA-N	413.226	5.497	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCCc4cc(F)c(F)cc43)c2)cc1	609641924	KROQBLAPBKRONZ-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
N#Cc1ccc(N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C(F)(F)F)c1	609963476	PHSOIBUIWBACDT-LJQANCHMSA-N	419.834	5.183	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)s1	610177352	GONPBKZPTAZINO-QGZVFWFLSA-N	419.550	5.298	30	20	HKED	
N#CCCN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc(F)cc1	610437162	IMTHJILFSGJVFW-UHFFFAOYSA-N	419.403	5.528	30	20	HKED	
CCOc1ccc(Br)cc1-c1noc(-c2cc3ccccc3n2CC#N)n1	612907669	YFOLFEZWCRFILA-UHFFFAOYSA-N	423.270	5.043	30	20	HKED	
C[C@H](c1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1)C(F)(F)F	622477674	HBONLAMPLWHXDK-BDJLRTHQSA-N	407.329	5.915	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	674784850	WHKMZPIGXABWIC-UTUOFQBUSA-N	417.390	5.143	30	20	HKED	
C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1N(C)C	675738569	PVHTVUSGXIKCQN-CIQGVGRVSA-N	400.382	5.452	30	20	HKED	
N#C[C@@H](C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)c1cnc2ccccc2n1	682994959	MVJCVSWLJQWTKK-LJQANCHMSA-N	416.440	5.442	30	20	HKED	
Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2)cc1	726571448	JRDMJYRGQWLHPH-UHFFFAOYSA-O	406.918	5.131	30	20	HKED	
C[C@@H](OC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(C#N)c1	727635543	KCLPNPJVMYXYSR-CYBMUJFWSA-N	416.424	5.547	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl	730688556	ZBRKNHZURCQHNZ-FZMZJTMJSA-N	409.700	5.173	30	20	HKED	
Cc1ccc(/C=C\C(=O)Nc2ccccc2SCCC#N)c(Br)c1	730981829	BYZKRJLFQULGSP-KTKRTIGZSA-N	401.329	5.415	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)n2)cc1	731289350	XAFJXYGGMQYFIF-RJGXRXQPSA-N	424.525	5.952	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1	732495115	QQKXJRLRVYFHRT-HXUWFJFHSA-N	421.456	5.435	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2ccc(Cl)cc2Cl)nc(-c2ccccn2)n1	733079928	MVNJXVOWPGCQAD-UHFFFAOYSA-N	412.202	5.310	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2-c2ccccc2)ccc1OC	733615452	ZLRFXKCMJBDTJQ-FQEVSTJZSA-N	415.493	5.365	30	20	HKED	
C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	733621654	LHCMJBRQGGJXFY-XNMGPUDCSA-N	409.533	5.928	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	733842473	WNWYLSQAAJSICU-CQSZACIVSA-N	411.811	5.361	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(F)cc2C)o1	734296159	ICSCXCLZZWSNFU-UHFFFAOYSA-N	422.485	5.222	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	735746426	ZCXVKFNBVAEVDF-SJCJKPOMSA-N	424.353	5.243	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)s1	736432580	AXKQKVSEKVCLCC-BUHFOSPRSA-N	420.534	5.354	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1	740535727	NWAPYAFLKBEIMV-FQEVSTJZSA-N	407.901	5.054	30	20	HKED	
CC(C)(C#N)CCSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3	742444615	BHHMQUPRUUKYLV-UHFFFAOYSA-N	413.568	5.010	30	20	HKED	
Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1NC(=O)OC(C)(C)C	742596441	RFZYFMHKELTOJG-UHFFFAOYSA-N	407.514	5.517	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1F	743238191	MVRFUSRAWYAGEK-UHFFFAOYSA-N	423.419	5.301	30	20	HKED	
C#CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1	743689881	OAWXIMCWOQRQSC-UHFFFAOYSA-N	405.325	5.376	30	20	HKED	
COc1ccc2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c(C)c2c1	744030054	YUBKZPSHSJBMSG-IBGZPJMESA-N	414.486	5.333	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036736	HTADSCGSPWEHCS-PBHICJAKSA-N	414.452	6.199	30	20	HKED	
C=CCCOCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]32)C1	744333682	DRYKKLUXYMTCBS-ABHYAECCSA-N	400.559	5.023	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccccc1-c1ccccc1	751008448	WPEQUMGQKQZYRE-UHFFFAOYSA-N	401.535	5.071	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1cc2c(ccc3ccccc32)o1	753129463	ZVJUDBKWKKEMEV-UHFFFAOYSA-N	405.457	5.264	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1ccccc1	753178414	NKJSDACIEXZPNM-IRXDYDNUSA-N	404.297	5.161	30	20	HKED	
C[C@H](Cc1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	756516080	QNYSNAXRBPYXJH-IAQYHMDHSA-N	409.700	5.173	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	759213177	HYEYCAXRVLSGCM-LIRRHRJNSA-N	410.926	5.527	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H](c3ccccc3OC)C2)c1=S	765016742	ZCHVSVRMZYPBRY-IBGZPJMESA-N	420.582	5.031	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC2)cc1	767856859	CPNPILOKCNBSCX-UHFFFAOYSA-N	420.944	5.523	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cn(C)c2ccccc12	773982658	KUSNKMPIIFBIMH-RDTXWAMCSA-N	419.937	5.935	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1	774161656	DVZBUQLRYKVPHW-UHFFFAOYSA-N	413.543	5.194	30	20	HKED	
CC[C@H](C)n1c(SCC(=O)O[C@@H](C#N)C2CCCCC2)nnc1-c1ccccc1	776383158	MPAQANUMMYJUGE-LPHOPBHVSA-N	412.559	5.024	30	20	HKED	
O=C1/C(=C/c2ccccc2OCc2cccnc2)CCc2ncc(C(F)(F)F)cc21	777468767	ZCTHYSBYAFFIIR-LICLKQGHSA-N	410.395	5.287	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H](c3ccc(F)cc3)CC2)c1=S	777970027	OLQMIVVCWKYNQR-SFHVURJKSA-N	423.561	5.028	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1OCC	780157027	AWLRZQGCDJSXQD-OAHLLOKOSA-N	416.905	5.461	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1	782609579	WUYPAJZUWRKTAI-UHFFFAOYSA-N	413.399	5.538	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)[C@@H]1OCCc2sccc21	796756474	MIHISJPTEHCGHJ-ZEWFUEFWSA-N	402.928	5.138	30	20	HKED	
CC1(C)CN(c2snc(Cl)c2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1	814373929	ACHVFGSVJGRVPG-ZDUSSCGKSA-N	401.841	5.043	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCCC[C@@H]3[C@H]3CCOC3)nn2)c1	814926782	JYLULKFBUZDFPH-DOTOQJQBSA-N	404.436	5.157	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C/c3ccc(-c4cccc([N+](=O)[O-])c4)s3)ccc2N1	915993241	MKZXCFVQZTZLSA-RMKNXTFCSA-N	404.447	5.104	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2sc3ccccc3c2s1	916929336	IKHGQFKOEZYHSF-CYBMUJFWSA-N	406.488	5.086	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)CCC1	1788907620	GQQMFINXJXLKDC-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccco3)CCC2)cc1	1789457955	IEBBRTIRPUGSJR-WMZHIEFXSA-N	420.553	5.361	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)CC1	1831508407	BRTWMBMEFLNRBD-AWRGLXIESA-N	410.602	5.012	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1cccc(C)c1	10174392	KQZKGWNOXSGNOB-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1ccc(C#N)cc1	26129484	NWCJGMBSCZMEMU-INIZCTEOSA-N	411.436	5.510	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(C#N)cc1	33179196	YHGBBLMKPIBVBS-AWEZNQCLSA-N	421.840	5.403	30	20	HKED	
CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48125654	UGUDGFIOPCHGRO-UHFFFAOYSA-N	416.456	5.004	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC1CCCC1	58421464	GRMARMXSLSECST-UHFFFAOYSA-N	409.555	5.273	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccc(Cl)c2)nnc1[C@H]1COc2ccccc2O1	60423870	DVEJAFRHYVDQDS-AUUYWEPGSA-N	413.930	5.483	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2sc3ccc(F)cc3c2C)c(C#N)c1C	64680366	ZLGCNNOQSSBQII-UHFFFAOYSA-N	402.472	5.019	30	20	HKED	
Cc1ccc(C)c2c(C)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)oc12	108908914	BOJKSNPRTFSHDX-UHFFFAOYSA-N	424.500	6.255	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1Cl	109319841	MHACUWDJGUZTSZ-QFIPXVFZSA-N	424.891	5.705	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccc(OCc3cccs3)c2)cc1	111019017	OKRJYVYWKMQEJX-UHFFFAOYSA-N	406.507	5.286	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1	116859507	UWWCQOWZWLMQNE-CABCVRRESA-N	402.416	5.097	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	147497629	SABIOJTXMNESKH-QGZVFWFLSA-N	402.928	5.166	30	20	HKED	
COc1cccc([C@@H](Nc2snc(Cl)c2C#N)c2cc(F)ccc2OC)c1	301485872	XCAVACIACDNHDB-QGZVFWFLSA-N	403.866	5.026	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccc(Cl)s1	303376997	LOYLZFGPIGLTIY-CQSZACIVSA-N	407.992	5.114	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Cc1ccccc1F	303772467	JPGKFNYSTYDDRZ-SFHVURJKSA-N	402.469	5.402	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCCC23CCOCC3)c1	409814382	HQZJLAMWQLKQRX-NRFANRHFSA-N	410.901	5.083	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1	429955360	ZOWRGNTZGPSBMY-UHFFFAOYSA-N	415.543	5.755	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(-c3ccco3)nc3ccccc23)s1	430627907	NVDKHKMFZFGYPQ-MRXNPFEDSA-N	401.491	5.739	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)nc2ccccc21	431022098	MHDLIWZZJYBGPO-IBGZPJMESA-N	418.566	5.253	30	20	HKED	
CCCN(C(=O)c1cccs1)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1	431134974	ZJVURFKKUUZXCW-UHFFFAOYSA-N	409.599	5.066	30	20	HKED	
CCOC(=O)c1sc2cccc(F)c2c1CN[C@@H](CCCC#N)c1ccccc1	433019622	PCNAAYQGRNWYRI-IBGZPJMESA-N	410.514	5.742	30	20	HKED	
O=C(Nc1cccc(OCC(F)(F)F)c1)N[C@H](c1cc(F)ccc1F)C(F)F	433227111	PZHICBFWHBJDQR-CQSZACIVSA-N	410.289	5.034	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1F	436145692	ABMOKPLSXLOCFG-UHFFFAOYSA-N	402.425	5.169	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436389107	NEBBIQIPLIIWFI-VXGBXAGGSA-N	424.307	5.729	30	20	HKED	
CN(CCc1cccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	437902173	YOZJFYYMLVONGN-UHFFFAOYSA-N	405.523	5.100	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1	438640146	FSIZZSYFQOFBPV-CQSZACIVSA-N	401.482	5.065	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)SCc2ccc(C#N)cc2OC(F)F)c(C)c1	439545437	UCGQRSUEFNHZGV-OAHLLOKOSA-N	404.482	5.345	30	20	HKED	
COc1ccc(-c2csc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)c2)cc1	440255299	YUSMXVPGCKMMIV-QFIPXVFZSA-N	405.523	5.268	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nc2ccccc2s1	442619801	UZFFUHFPTIPCHO-HNNXBMFYSA-N	408.404	5.871	30	20	HKED	
CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	442742207	XCVLEKXDNUTQPL-YEYPGUGLSA-N	407.480	5.313	30	20	HKED	
CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc21	448418093	UHKDEIZWXGSVPM-LDQXTDLNSA-N	421.566	5.020	30	20	HKED	
C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H]2CC[C@H]1c1ccccc12	460794923	BHECPCTUBNAACC-KOSHJBKYSA-N	409.537	5.365	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	461315977	KGFNDAMGHVLBAH-IERDGZPVSA-N	404.441	5.093	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Nc1ncccc1OCCCC#N	463663012	HAIWBYZPARAJOF-HXUWFJFHSA-N	414.509	5.559	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)c1	464044519	MVDZSHUDMZAWCK-NRFANRHFSA-N	412.436	5.125	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccoc1C(F)(F)F	464317965	FQEJBBQSXLUEHU-SNVBAGLBSA-N	405.216	5.351	30	20	HKED	
Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(OCC(F)(F)F)c1	468800163	BVXSGVGXJJZOTO-UHFFFAOYSA-N	415.415	5.447	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)n1	470108729	BWMKGNUYOLDTRM-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc2nc(C(F)(F)F)cn2c1	471747472	FWTUIXWBZRHUMB-UHFFFAOYSA-N	412.396	5.206	30	20	HKED	
CCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-]	473930549	YLFGNBISTURTBD-CYBMUJFWSA-N	413.405	5.049	30	20	HKED	
Cc1nc(CC2CC2)oc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	475341988	GQZGOBCAWPWTGY-LJQANCHMSA-N	405.885	5.497	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(-c2cccc3ncccc23)c1C	476122273	JQISIOLOQZDONX-UHFFFAOYSA-N	411.509	5.228	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(C(F)(F)F)cn1	477845136	WBAHKLZVBPOPAM-AWEZNQCLSA-N	422.815	5.988	30	20	HKED	
C=CCn1c(Sc2cc(C)nc(-c3ccncc3)n2)nnc1-c1ccc(Cl)cc1	480416059	HQVRMTUUKHRFHF-UHFFFAOYSA-N	420.929	5.096	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1	480592092	LOCUIEGZEWIBNM-VQIMIIECSA-N	420.538	5.981	30	20	HKED	
CC(C)CN(C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@H]1CCCc2cccnc21	480810896	GSQFUUQWKZFXQX-NRFANRHFSA-N	406.530	5.308	30	20	HKED	
CCCc1c(NC(=O)N(C2CC2)[C@@H](C)c2ccccc2)cnn1-c1cccc(C#N)c1	482511353	OZXYQQVDDXUICQ-SFHVURJKSA-N	413.525	5.454	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1	483089294	PPLQIZXSUHZYOO-GCJKJVERSA-N	407.514	5.374	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1csc(-c2ccc(Br)s2)n1	490196702	KNCKEIOXBFJQDC-UHFFFAOYSA-N	423.357	5.098	30	20	HKED	
N#CCN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1	497354181	CFKSQLGVYRCUJY-UHFFFAOYSA-N	424.287	5.416	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	503200454	MTPQDKBAAGMHLD-MRXNPFEDSA-N	410.543	5.709	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)CCCC4)cs2)cc1	505855441	CJWUUNKREJLXRE-UHFFFAOYSA-N	409.536	5.273	30	20	HKED	
Fc1ccc(-c2noc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)cc1	505862273	IZAIDXRULUBJKJ-HNNXBMFYSA-N	419.300	5.288	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)cc1	507196197	XDNXEQAHRMVNEH-FUHWJXTLSA-N	402.416	5.249	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1	508264363	HBLKQZTZTVTRFN-NRFANRHFSA-N	414.465	5.123	30	20	HKED	
C=CCn1c(SC[C@@H](OC)c2ccc(Cl)cc2)nnc1-c1ccccc1OC	509101124	WTJWRUIIJWEKKK-LJQANCHMSA-N	415.946	5.273	30	20	HKED	
COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	509233553	OUGLCXRRRPILKO-UHFFFAOYSA-N	409.445	5.607	30	20	HKED	
N#C[C@H]1N(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CCC[C@]12CCCCO2	509657912	LCPAWOVMMYRASD-TZIWHRDSSA-N	400.931	5.136	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	511510120	YSCSBVGWWXXBPU-SFHVURJKSA-N	412.493	5.344	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)o1	512094818	LNHQQLNVWMVPBT-UHFFFAOYSA-N	414.505	5.215	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1c(F)cccc1F	513205198	ZXUOIDJOGQMFIP-MRXNPFEDSA-N	421.447	6.162	30	20	HKED	
C=CCC[C@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccco1	513713098	KFPQOVVGAINLNU-NRFANRHFSA-N	414.502	5.017	30	20	HKED	
COc1ccccc1[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1	518681232	SDJYCXXPNDSUJA-OAQYLSRUSA-N	423.419	5.079	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(C)nc1-c1ccccc1Cl	519474945	ZLKSDRFWUQXINS-AWEZNQCLSA-N	410.930	5.245	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1	523784687	CPLZEDCXXYPKIM-UYAOXDASSA-N	408.571	5.214	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	532821346	NAHMYCXUPGASKK-UHFFFAOYSA-N	409.486	5.039	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccn2)ccc1Cl	535854768	HVTYQCNMUDUWPF-OFNKIYASSA-N	401.897	5.314	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1	536666257	JZQILPCHJFIEPU-CLJLJLNGSA-N	419.532	5.206	30	20	HKED	
Cc1cc([C@@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)ccc1F	537225144	RLBHEHGVQHMWNU-WNSKOXEYSA-N	411.546	5.065	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C2(Cc3ccc(Cl)cc3)CC2)cc1	537741740	CAAGKGIXVKFWTR-UHFFFAOYSA-N	406.835	5.125	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542929942	HNANFWAEZPMRHR-HNNXBMFYSA-N	417.490	5.346	30	20	HKED	
COc1cc(CN[C@H](c2ncc(C)s2)C2CC2)ccc1OCc1cccc(C#N)c1	544425859	ZTTFGUZTKZRRSJ-QHCPKHFHSA-N	419.550	5.152	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)N[C@@H](C#N)c3cccc(Br)c3)ccc2c1	545317192	ILRYAJZGKKBRLD-QKKBWIMNSA-N	423.310	5.095	30	20	HKED	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C)c(SCC#N)s1	550192838	ZGWNEDHFHUVRLW-ZDUSSCGKSA-N	413.490	5.293	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCCSC3)cc2Cl)c1	554428010	PQQYFMXVMVFFGO-KRWDZBQOSA-N	415.946	5.055	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	558510766	GHRFGTFYANNVBR-KDYLLFBJSA-N	418.419	5.330	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1scnc1C	558999190	QUVPMWPGXMTWLP-HNNXBMFYSA-N	417.966	5.049	30	20	HKED	
CCN(C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(C#N)c(Cl)c1	563768379	AFXCHWLAZIJYQU-UHFFFAOYSA-N	403.869	5.131	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C	572207086	RFYMEFHDRCMRFF-AZUAARDMSA-N	420.582	5.147	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N1CC[C@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C1=O	584160396	IKQLWXYJTNUCNY-SGTLLEGYSA-N	408.420	5.170	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC3(CCOCC3)CC2)c1	585751672	ZMFWEGCCHYPHOP-UHFFFAOYSA-N	410.901	5.037	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)CCCCCC#N	588546568	KTEXKTXZYUVCNQ-UHFFFAOYSA-N	406.505	6.144	30	20	HKED	
C=CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc(-c2ccccc2)cs1	589894354	HVFNSTDOSYJICU-UHFFFAOYSA-N	407.926	5.707	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1nc2ccccc2o1	591861681	ATAWHLJXKIQWGZ-VIFPVBQESA-N	421.692	6.493	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1	596031480	WNOFPSJYJQLQLH-KRWDZBQOSA-N	407.514	5.129	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)n1	602755583	IYRVPPVSHKGEBQ-INIZCTEOSA-N	411.424	5.175	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(-c4cccc(F)c4)no3)c2)c1	603638366	NHZLRHQAQHEWRT-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	604083572	MEYNJSIBNOVMIA-OAQYLSRUSA-N	402.523	5.283	30	20	HKED	
Cc1cccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1	608847357	LEXJWQRQESOKKI-UHFFFAOYSA-N	415.440	5.114	30	20	HKED	
N#Cc1ccc(NCC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1	608877356	BVUXSTUNCLKFJF-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
Cc1cccc(C)c1OCCSCC(=O)Nc1ccccc1S[C@H](C)CC#N	609387599	WCXPCJMZIDZOMP-GOSISDBHSA-N	414.596	5.448	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCOc1cccc(C(F)(F)F)c1	609398222	KWGJLCQHVCJXGD-CQSZACIVSA-N	423.460	5.158	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	609475601	UUPFOCKNPQTVIL-CQSZACIVSA-N	402.385	5.075	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(OCc3ccccc3F)cc2)c1	609601908	FSDOYYHRRSHHQT-UHFFFAOYSA-N	419.456	5.731	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCSC[C@@H]3c3ccccc3)cn2)cc1	609681836	BRMDYEOKNTZVIZ-OAQYLSRUSA-N	416.506	5.068	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1c[nH]c2ccc(F)cc12	609737217	SXPXJMOUCJSGEZ-UHFFFAOYSA-N	415.493	5.302	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CSc2ccccc21	609815068	LKGLQEWNLNWLLC-OAQYLSRUSA-N	402.494	5.429	30	20	HKED	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609987851	KGYOUSCCBLCPQW-UHFFFAOYSA-N	424.504	5.099	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCc3cccc(C#N)c3)s2)cc1	610090076	KTQNJFBKRHMSAQ-KRWDZBQOSA-N	404.539	5.201	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NCC(C)(C)C#N	611621345	KDKLKLJAGKECAS-UHFFFAOYSA-N	407.493	5.403	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1COCc1ccccc1	615508465	WMFUYZHFTYDDBE-UHFFFAOYSA-N	416.521	5.632	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)s2)cc1	618812692	WVPUELXPUDXBPD-HRAATJIYSA-N	416.550	5.346	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485659	UHYJIGZUGDMXAG-OAHLLOKOSA-N	411.292	5.605	30	20	HKED	
FC(F)(F)c1ccc(C#CCN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	674249329	OYOQFFKXVWYNIY-OKILXGFUSA-N	403.288	5.120	30	20	HKED	
Cc1oc(-c2ccsc2)nc1COC(=O)c1occc1COc1cccc(C#N)c1	726815973	RMYIXAHNYLVXES-UHFFFAOYSA-N	420.446	5.112	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1C#N	727790416	HOCWXSPESYMLTQ-UHFFFAOYSA-N	406.507	5.331	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(F)cc3F)cc2F)c1	728175755	ZHGWAWZPOWOYGJ-UHFFFAOYSA-N	413.424	5.363	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(-c2cccs2)no1	728299451	RTBMJJJCXKWMPW-CQSZACIVSA-N	420.469	5.561	30	20	HKED	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2ccccc2SCC#N)cc1	729216471	LYJFYTTVIRRKDO-UHFFFAOYSA-N	408.504	5.144	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	730982668	UOSSXSRYDFQQKH-SNEKZUEESA-N	419.388	5.365	30	20	HKED	
COc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1OC1CCCC1	731967890	YUJHPAYPZVISOU-UHFFFAOYSA-N	408.498	5.076	30	20	HKED	
COc1ccccc1-c1ccc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cc1	741467044	DRYBSNTWOPWKEA-OKACTXMXSA-N	402.446	5.110	30	20	HKED	
Cc1ccc([C@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)o1	742555694	JFAQTNMBJNMVIR-LBPRGKRZSA-N	419.428	5.268	30	20	HKED	
FC(F)(F)c1ccc(-c2nc(CON=C3CCC4(CC3)OCCO4)cs2)cc1	744179207	CMBSRXXHYFCSHL-UHFFFAOYSA-N	412.433	5.019	30	20	HKED	
CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCC1	746827035	BLPUOGRSCSILRR-NRFANRHFSA-N	419.525	5.118	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2ccc(Oc3ccccc3Cl)cc2)c1OC	746846733	GKEORXJJXWMABA-IBGZPJMESA-N	422.868	5.144	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4cc(C#N)cs4)nc(O)c23)s1	748440140	IHVZYOIPCWUKDW-WLRTZDKTSA-N	415.952	6.104	30	20	HKED	
C[C@H](OC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(C#N)cc1	748685511	QVIAAHNIXHVVRM-HNNXBMFYSA-N	415.474	5.158	30	20	HKED	
C[C@H](ON=C(c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F	751954941	NIDODDRZRZXHEN-NSHDSACASA-N	404.310	5.016	30	20	HKED	
C[C@@H](OC(=O)C1(C#N)CCCC1)c1cnc(-c2ccc(Br)cc2)s1	752570158	COPDCMJNBYMPBZ-GFCCVEGCSA-N	405.317	5.261	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccn3)s2)CCc2nc(-c3ccccc3)sc21	753143214	SFDPYBNNUCEQGZ-QINSGFPZSA-N	401.516	5.541	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCOc2c(Br)cccc21	753143354	FAAVWZHZJNRGOK-JLHYYAGUSA-N	413.296	5.016	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1	766615052	BSILFALMCFPXCM-BXUZGUMPSA-N	418.241	5.174	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cccc(F)c1)c1nc2cc(C(F)(F)F)ccc2s1	767435690	SMIMIOLQRFGQSX-CQSZACIVSA-N	420.387	5.294	30	20	HKED	
Cn1cc(C=NNc2ccc(Cl)c(Cl)c2)c(-c2ccc3c(c2)OCCCO3)n1	767811807	WZFONMVQBHOCFR-UHFFFAOYSA-N	417.296	5.001	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccncc1	768365373	VRHMPUGWPZJKTK-MOPGFXCFSA-N	422.529	5.338	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	768667971	CEJLKZOOVGAZER-UHFFFAOYSA-N	410.461	5.635	30	20	HKED	
N#CCCn1cc(CN(Cc2ccccc2O)C2CCCC2)c(-c2ccccc2)n1	769385238	UAELCGPFBBJJKO-UHFFFAOYSA-N	400.526	5.114	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cn(CCCC#N)c4ccccc34)o2)cc1	769542714	HQUMDNUSAJDAGH-KRWDZBQOSA-N	414.465	5.222	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1	771639669	JAPNVRJDSIETBK-UHFFFAOYSA-N	421.541	5.133	30	20	HKED	
N#C[C@@H]1C(CN[C@H](c2ccccc2)C2CCCCC2)=CC(=O)n2c1nc1ccccc12	776012471	ZMOIDDAORAXLHF-PXDATVDWSA-N	410.521	5.135	30	20	HKED	
C[C@@H](NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(OCC#N)cc1	776153281	BBJBFOKFLBSMQV-DVECYGJZSA-N	417.578	5.101	30	20	HKED	
CSc1cccc([C@@H](NC(=O)Cc2ccccc2CC#N)c2cc(F)ccc2F)c1	776964851	RCVSFIBWRPJBIR-XMMPIXPASA-N	422.500	5.201	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2nc(O)oc2c1	794718932	HGHNVFXRYYIFSK-SOFGYWHQSA-N	416.380	5.572	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	796796879	FDRNKBIHGSENHN-HXUWFJFHSA-N	410.429	5.115	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2csc(Cc3ccc(F)cc3)n2)s1	797571432	OWDXOQIXMVHAJN-INIZCTEOSA-N	413.543	5.046	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797573827	XUXXKOFUIFPJLT-INIZCTEOSA-N	413.543	5.586	30	20	HKED	
CC(/C=C\C(=O)c1cccc(N2CCOC2=O)c1)=C/c1cccc(C(F)(F)F)c1	806571693	MKHFVKSASAKAOY-FVCILMKBSA-N	401.384	5.504	30	20	HKED	
COc1cc(N[C@H](C)c2cccc(C#N)c2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC	864003065	AVKIWUIGTHKJJY-KZNAEPCWSA-N	421.541	5.152	30	20	HKED	
CCCOc1ccc(C=NOCc2cc(-c3ccc(Cl)cc3)no2)cc1OC	913029323	CBKRZGZGXCNNSF-UHFFFAOYSA-N	400.862	5.343	30	20	HKED	
N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc2ccccc2n1C(F)F	915104880	WCLKWXDYLYHLAG-AWEZNQCLSA-N	424.382	5.035	30	20	HKED	
CCOC(=O)c1ccc(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915124500	MNXSRYJUQFAIES-JOCHJYFZSA-N	415.518	5.328	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC(F)F	915862660	NNCAJAMBSBMCQB-IBGZPJMESA-N	408.404	5.204	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1=O	916846105	HWMPONNEZAZAEN-XYJFISCASA-N	417.534	5.039	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1ccc2ccccc2n1	916848879	PWUQDHKUKWAISY-LJQANCHMSA-N	419.322	5.686	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2cccc(Cl)c2)n1	916912598	RNTLZFSHADTDOY-ZDUSSCGKSA-N	416.289	5.078	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2c[nH]c3ccccc23)cc1	916947149	FLFBXXQMGBAHGC-VGOFRKELSA-N	401.510	5.352	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCC(F)(F)F)cc2)cc1	916948677	JGGDDMOCPNKWFF-LIRRHRJNSA-N	418.415	5.102	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCC1)c1nc2cc(C(F)(F)F)ccc2s1	917042268	ABMZNHMVJHIABM-HNNXBMFYSA-N	418.415	5.752	30	20	HKED	
CC(C)CN(CCC#N)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S	919944874	SAMBEXTXZNLUJQ-UHFFFAOYSA-N	418.010	5.679	30	20	HKED	
CCOc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	920112809	KJOFYVJXTMUCSG-INIZCTEOSA-N	418.440	5.523	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1	920142583	LMHDMHNUJOBWGC-HNNXBMFYSA-N	417.317	5.544	30	20	HKED	
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=Cc1ccccc1O	920942401	ARIUGNSMGGCXSA-UHFFFAOYSA-N	404.466	5.193	30	20	HKED	
COc1ccc(O)c(C=Nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)c1	920942916	NEXKIEBGCMEPTE-UHFFFAOYSA-N	422.440	5.105	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1	1789622308	IQMQMCLGEHBQTB-UHFFFAOYSA-N	421.541	5.292	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1	1792264735	AYDWHDOIPLXWIS-UHFFFAOYSA-N	420.509	5.202	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)C1	1804866388	ZNDVFJFKAXQPEX-PKTZIBPZSA-N	422.613	5.014	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(-c3cccc(Cl)c3)o2)c1C#N	19423117	RZEMLMPLYKBEPV-UHFFFAOYSA-N	407.886	5.048	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccccc2CC)c1	23604614	OMJGJWNBQMMLAN-UHFFFAOYSA-O	406.575	5.095	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)N(CCC#N)c1ccc(F)cc1	24013021	ACLRAARGUJHIIV-HNNXBMFYSA-N	411.527	5.377	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)NC(=O)CCS4)n2)cc1	41513541	NJYGRUQOZQSSAM-MRXNPFEDSA-N	419.531	5.043	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc(OC)c1OC	65369660	DWEZDIQIRQGGSD-UHFFFAOYSA-N	421.497	5.026	30	20	HKED	
COc1cc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1	72025274	WDFVRSNJOWNZIO-UHFFFAOYSA-N	416.477	5.248	30	20	HKED	
Cc1nn(C)c2sc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc12	107875834	KUSNEINSTFVUSB-GOSISDBHSA-N	420.925	5.504	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@@H](C)c1cccnc1	303715404	QNZRSTBJGZKRAY-SFHVURJKSA-N	400.482	5.669	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC(C)C	303833572	BVDBWXNXDUQRFQ-UHFFFAOYSA-N	416.546	6.199	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(F)cc(F)c2)cc1Cl	410174807	XBPBSRQSOLZJDC-HXUWFJFHSA-N	411.839	5.595	30	20	HKED	
CC[C@@H](C)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	429722510	IPVFHZNFGWUBPJ-QRWLVFNGSA-N	401.491	5.349	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(OC(F)(F)F)cc1	431813659	USLXFOTZFRYUSI-KXBFYZLASA-N	405.420	5.381	30	20	HKED	
Cn1cc(CNc2ccc(-c3ccc(Cl)s3)cn2)c(-c2ccc(C#N)cc2)n1	432729492	HOLYLJBOJXQESD-UHFFFAOYSA-N	405.914	5.348	30	20	HKED	
N#Cc1nnc2ccccc2c1Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1	432927420	MAYNQNBCAWBXCH-UHFFFAOYSA-N	409.236	5.134	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1	433718789	LWLHWKSRQHOXHL-CYBMUJFWSA-N	408.807	5.418	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCc4cccnc43)cc2Cl)cc1	435500827	MJHBVQDUFNZNTC-IBGZPJMESA-N	403.869	5.458	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1Cc2ccccc2C[C@@H]1C	437981403	UJNMIMLTHLUWAL-IBGZPJMESA-N	411.505	5.424	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2c(F)cc(F)cc2F)cc1	438519933	XNGKYVMWPCLMJT-UHFFFAOYSA-N	413.374	5.349	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(C)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	442221240	HDLICYUHCBCGDS-LJQANCHMSA-N	419.447	5.801	30	20	HKED	
COc1ccc(SCCCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	444003682	OJCSJQMKFSDOQG-INIZCTEOSA-N	400.569	5.600	30	20	HKED	
C[C@H](c1ccco1)N(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	444381843	JHCRLYWLTLFLRQ-IERDGZPVSA-N	419.912	6.346	30	20	HKED	
CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccccc3C#N)cc2)C1=O	445989043	CNAULRFOMOBKQK-JOCHJYFZSA-N	411.461	5.270	30	20	HKED	
C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H]1c1csc(C)n1	460559361	LUEQNNHWNKRUHJ-GOSISDBHSA-N	405.527	5.374	30	20	HKED	
C[C@H](C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	462600336	VINBSIFVTFQPRT-MEDUHNTESA-N	400.322	5.100	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	464944860	YSEWSEVFFZKFAE-PMACEKPBSA-N	405.498	5.170	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	467523361	UDWLMDCQCOKMPP-UHFFFAOYSA-N	404.297	5.348	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C	467619753	PWCPPNLWFGSCFT-RTWAWAEBSA-N	418.541	5.138	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)C	470558623	IRSSCLVBRZMRTQ-XMMPIXPASA-N	418.541	5.097	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1	475580783	LNQSGTVCDMXNBF-FQEVSTJZSA-N	422.569	5.584	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ncccc1OCc1cccc(Cl)c1)c1ccccc1	476241453	ZQADWJBSAYXOIT-LJQANCHMSA-N	405.885	5.340	30	20	HKED	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	478585626	WPHZZAMMKGCFIG-UHFFFAOYSA-N	423.476	5.405	30	20	HKED	
Cc1c(Br)cccc1CC(=O)Nc1ccccc1S[C@H](C)CC#N	480083221	PUBMWSLDMFZJEF-CYBMUJFWSA-N	403.345	5.333	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(OC2CCOCC2)c(C)c1)c1ccc(F)c(F)c1	481201113	JAELEOXCEVIMHJ-QFIPXVFZSA-N	416.468	5.270	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)c2ccc(OC(F)F)cc2)nnc1-c1ccncc1	481336581	JXGDUVWPLWSUMZ-AWEZNQCLSA-N	402.470	5.371	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1	482549930	BHIJFTJQATXEHP-CQSZACIVSA-N	411.339	5.300	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc(Cl)c1OCC(C)C	483198915	MMCKBMAPKBTVOP-SFHVURJKSA-N	408.885	5.422	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(C#N)c(Br)c2)c1C(C)C	487988058	XODINEVLXDUXPB-UHFFFAOYSA-N	404.312	5.085	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccccc1C	488912958	OWVUFDZIHITCFF-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
CN(Cc1cc(Br)ccc1Cl)C(=O)N[C@@H](CCC#N)c1ccccc1	494818049	BIHWJCLXYHWZFL-SFHVURJKSA-N	420.738	5.289	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c12	500319007	WHNBDAIGNAGSPQ-UHFFFAOYSA-N	416.525	5.223	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1cccnc1	503711897	PGXQUQFSOCUIQZ-QFIPXVFZSA-N	412.518	5.242	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1cccc(C(F)(F)F)c1	504538167	GRVFEOCLFWODJF-OAHLLOKOSA-N	423.366	5.102	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1	504785374	JJDKUSSWKFKZDA-FQEVSTJZSA-N	406.574	5.483	30	20	HKED	
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1	505088367	YLKHNGHREQIEIQ-ZPHPHTNESA-N	411.505	5.154	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c(F)c1	505863404	CFQZTKHMRPCDOU-UHFFFAOYSA-N	415.468	5.345	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)Nc3ccccc3SCCC#N)oc12	507428260	ZGDBJJJTWILOCC-UHFFFAOYSA-N	415.312	5.762	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)n1	511868072	NKTOSJWEBDZZEF-GFCCVEGCSA-N	404.278	5.436	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H]3CCC[C@@H]3c3cccc(C(F)(F)F)c3)o2)c1	511873869	CKMFZHXPPWMYCJ-RTBURBONSA-N	412.415	5.053	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc(-c2ccc(Cl)cc2)no1	512030202	ZWXAIRCSUOARKV-UHFFFAOYSA-N	422.941	5.656	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	513431692	KEVVIJCCRUXKSL-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](C)c1c(C)noc1C	513778655	QUZNLTUFLPSBHI-MRXNPFEDSA-N	403.482	5.183	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](c1ccccc1)c1ccccc1OC	519477220	RGYMDBBOWVGSHY-XMMPIXPASA-N	404.485	5.322	30	20	HKED	
CCCCN(C(=O)CCCCOc1cccc(C#N)c1)C1CC(C)(C)NC(C)(C)C1	520353104	YNRCEGPDPHWWBA-UHFFFAOYSA-N	413.606	5.045	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C(\CC(=O)O)c2nc3ccccc3o2)c1	520930880	ODESPWAWZKRUOX-UDWIEESQSA-N	410.429	5.294	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1	520998983	PFORRNYZTASPMW-GOSISDBHSA-N	423.944	5.119	30	20	HKED	
Cc1nc2ccccc2n1Cc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1Cl	536189794	BMMLDCXTHNFBDT-UHFFFAOYSA-N	414.896	5.365	30	20	HKED	
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	537442547	SFKBMCQLSGLHBV-NHCUHLMSSA-N	412.455	5.669	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1C1CCCCC1	538483557	RQGPPTXHVYXFOE-IBGZPJMESA-N	415.522	5.182	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](C#N)CCc3ccccc3)s2)cc1	539934539	QQYBTVUOSUINQD-LAUBAEHRSA-N	403.551	5.377	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)C2CC2)cc1	541470064	STEKWQZUELZAGJ-UHFFFAOYSA-N	418.884	5.595	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	554856900	DPOKEMFXKZGRLC-QGZVFWFLSA-N	406.301	5.225	30	20	HKED	
C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC(OC2CCCC2)CC1	555240501	OLICNZLTWYILPL-UHFFFAOYSA-N	414.619	5.019	30	20	HKED	
N#CC1(c2ccccn2)CCN(c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1	563845382	DKGMFPOWBCGVBL-UHFFFAOYSA-N	402.929	5.224	30	20	HKED	
C=CCOc1ccccc1-c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1	564227051	BOMPQCDYTOLDJR-UHFFFAOYSA-N	415.424	5.360	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C	564383934	DPFRAQJJDSJZBE-DLTYFMDKSA-N	414.553	5.092	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603763953	DKAHFPOEYGULIS-UHFFFAOYSA-N	418.503	5.491	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ncc(-c2ccccc2F)o1	607760051	GKVUKJPYPUARME-UHFFFAOYSA-N	406.486	5.141	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(OCC(F)F)c2)cc1	608840984	HRTFOACITPSHHF-UHFFFAOYSA-N	423.419	5.316	30	20	HKED	
CC(C)C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1	608864331	GPZSDIGIOYGIPE-HXUWFJFHSA-N	403.448	5.506	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc2cc(Cl)ccc2s1	613402786	HMWNOBNHWATYFZ-ZDUSSCGKSA-N	413.285	6.353	30	20	HKED	
COc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1OC(F)F	613407534	XFVGRLGRDAHMAY-NSHDSACASA-N	408.813	5.050	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cc1	619463383	RWSQRDLBKDLLCU-KRWDZBQOSA-N	408.548	5.407	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1	622841329	FYCKWMCCOOQULD-RDPSFJRHSA-N	410.583	5.003	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1c(Cl)ccc2cccnc12	643098137	XBRTUZWWSAZAQX-UHFFFAOYSA-N	406.942	5.549	30	20	HKED	
C=C(CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	672480117	VLUOUAKBMYUSCN-UHFFFAOYSA-N	401.293	5.411	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccco2)s1)c1nc(-c2c(F)cccc2F)cs1	675918451	IAGANBVIIVYZPV-NSHDSACASA-N	412.442	5.900	30	20	HKED	
O=C(c1ccc(CCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	676874219	HHGYDWXHCQVMNN-BETUJISGSA-N	421.303	5.384	30	20	HKED	
N#C[C@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc2cc(F)ccc2s1	730417304	MEFFTIGBWIYDOO-QGZVFWFLSA-N	420.465	5.316	30	20	HKED	
Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1F	730955267	WVVOFBYEWORKTL-UHFFFAOYSA-N	413.465	5.968	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2ccccc2c1	731059679	JCIKXCZPZJFDJB-INIZCTEOSA-N	404.491	5.030	30	20	HKED	
Cc1ccc(Nc2nnc(SCc3ccc(OCC#N)cc3)s2)cc1Cl	731158166	UOCYCBJPTGRFRO-UHFFFAOYSA-N	402.932	5.438	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1	731189423	ZBJHFFXLIHFIGO-UHFFFAOYSA-N	421.504	5.112	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732496377	SPNHCPIHIRVULY-WFASDCNBSA-N	420.481	5.920	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](C)c2c(Cl)cccc2Cl)ccc1OC	733232575	UJDFPQBXIPWEAO-UKRRQHHQSA-N	421.324	5.103	30	20	HKED	
O=C1/C(=C/c2ccc(OCc3occc3C(=O)O)cc2)CCOc2ccc(Cl)cc21	733749395	VQKTYZVFCRYHSM-RVDMUPIBSA-N	424.836	5.259	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1C[C@@H](OCC)C12CCCC2	740772855	WUGUGUVTMRPSJJ-RBUKOAKNSA-N	405.995	5.358	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)s1	744353524	WAEVUVJLGYJHIF-LBPRGKRZSA-N	409.964	5.079	30	20	HKED	
C#CC[C@@H](NCc1cc(OC)c(OCc2ccccc2)c(OC)c1)c1ccccc1	756996694	QYRCTGLCUAUMBX-HSZRJFAPSA-N	401.506	5.137	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1cccs1)Cc1ccccc1OC)c1ccncc1	760170184	KGYWBEDXVDBIJW-NRFANRHFSA-N	407.539	5.181	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)CC(Cc1ccccc1)Cc1ccccc1	760786127	MVBHCIIOAJQURL-UHFFFAOYSA-N	402.469	5.158	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)n1	762076683	LTGZAVDRLWLHBQ-JXFKEZNVSA-N	402.519	5.477	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(Cc2noc(CSc3ccc(C#N)cc3)n2)cc1	762287667	SSQXJXDFASBSEZ-UHFFFAOYSA-N	422.510	5.171	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl	766840018	GESNZOKVBXQHGH-YGNAEDSMSA-N	407.684	5.398	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=S)NC(C)(C)CC)=C(/O)c2ccc(C#N)cc2)cc1	773939338	AHJYSTZOOYRENF-UHFFFAOYSA-O	422.618	5.739	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1C(F)F	774546300	OVQCGUHUSDCANT-SFHVURJKSA-N	402.404	5.344	30	20	HKED	
COc1cccc(C(N[C@H](C)c2ccc(OCC#N)cc2)c2cccc(OC)c2)c1	776162567	IQHDZIDXQALYFV-GOSISDBHSA-N	402.494	5.046	30	20	HKED	
CCC[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(C(F)(F)F)c1	777115305	XTNVIPBDHSGSID-NRFANRHFSA-N	417.475	5.491	30	20	HKED	
COC1CCN(c2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2C(F)(F)F)CC1	777679093	DHKJUFBPKHTRSL-HNNXBMFYSA-N	403.448	5.365	30	20	HKED	
COc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1NC(=O)C1CCCCC1	777697037	KBZDXOJISLXEMQ-JOCHJYFZSA-N	403.526	5.575	30	20	HKED	
CC(C)CCSc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1[N+](=O)[O-]	780149442	PKDAPGNHLBWCCV-HNNXBMFYSA-N	413.499	5.276	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1	780508899	DDUNORBEKKXJJC-SFHVURJKSA-N	400.482	5.258	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	780583439	FSZKEVBRRJSMOE-CQSZACIVSA-N	408.845	5.462	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)cs1	780676722	QNQRAABINMKOQD-HUUCEWRRSA-N	406.511	5.292	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccccc1O[C@@H](C)C#N	780682686	WVFYTBAETQVIQE-HNNXBMFYSA-N	416.319	5.182	30	20	HKED	
O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc2nccnc2cc1F	791629167	USYQZKJXMYLPJD-OAHLLOKOSA-N	418.268	5.248	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Cn3ccc4ccccc43)n2)cc1	796887377	HWYHJSRGXFHVQT-OXJNMPFZSA-N	415.518	5.286	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(-c2ccccc2)s1	804437272	BNSZJTHULKEKPV-UHFFFAOYSA-N	400.410	5.193	30	20	HKED	
O=C(OCc1coc(-c2c(F)cccc2F)n1)c1c(F)cc(C(F)(F)F)cc1F	811420210	RSRLYPORDQBTBI-UHFFFAOYSA-N	419.252	5.274	30	20	HKED	
CC(=NOCC(=O)Nc1ccc(C(C)(C)C)cc1)c1nc2ccccc2n1C(F)F	813876725	XAILANOMBBCONZ-UHFFFAOYSA-N	414.456	5.108	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(-c3cn4ccccc4n3)cc2)c1	864000732	YYYFXOLQMMOZFT-UHFFFAOYSA-N	403.283	5.248	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)c1	904635554	QVDMANKDPFLNHJ-UHFFFAOYSA-N	404.470	5.552	30	20	HKED	
Cc1c(Cl)cccc1NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1	915051095	KZWDBOPVFSTPLX-UHFFFAOYSA-N	412.946	5.055	30	20	HKED	
C#Cc1cccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1	915340188	JDGSIDUXXJTYJB-QHCPKHFHSA-N	409.489	5.111	30	20	HKED	
COc1ccc2cc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc2c1	915353654	PXNKQBOCWFQWSD-AREMUKBSSA-N	421.500	5.826	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(SC(F)F)cc3)c2)cc1	916449593	HIKBVJPQHKUIBL-UHFFFAOYSA-N	424.472	5.899	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-c3ccccc3)o2)cc1	916708099	JLYPOGFRFBOGEY-DEOSSOPVSA-N	407.473	5.924	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl	916937551	HBADRMASYJUNAF-LJQANCHMSA-N	410.901	5.357	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3cccs3)oc2C)cc1	916947970	CVAMQBWOBLTLRU-CXAGYDPISA-N	407.495	5.186	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1nc2cc(C(F)(F)F)ccc2s1	917042682	FQRBNZHXELXQRW-JBLDHEPKSA-N	420.378	5.860	30	20	HKED	
N#C[C@H](C(=O)c1sc2ccccc2c1Cl)c1nc2cc(Cl)ccc2s1	917043552	JRAGFZMRHKQVIU-LLVKDONJSA-N	403.315	6.308	30	20	HKED	
COc1ccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1OCC(C)C	917644986	PSBGAZUOKCPNDJ-RGVLZGJSSA-N	424.547	5.007	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1cc(-c2ccccc2)cs1	917879005	FEHVHUNYTWDBKC-NRFANRHFSA-N	408.523	5.073	30	20	HKED	
O=C(c1ccc(SC(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	918672538	TUPUOUPVHHGHJY-AOOOYVTPSA-N	407.326	5.204	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C	920141753	QECNAIGGPPORJF-HXUWFJFHSA-N	417.559	5.657	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)cc1	921190799	IHPIMLHYASTXFC-UHFFFAOYSA-N	423.588	5.803	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1	1789455679	ZZLIPSQVXWASEX-QFIPXVFZSA-N	406.526	5.033	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)CCCCC)CC2)C1	1805458711	UAGSSSGTWXZUBW-NRFANRHFSA-N	402.623	5.202	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2C)CC1	1828828589	MYWDGJFRVUJSTR-IFMALSPDSA-N	414.615	5.058	30	20	HKED	
CCc1ccc(OCc2nnc(SCc3ccc(C#N)cc3)n2CC(C)C)cc1	4287609	BQXCRVIUUQTQGS-UHFFFAOYSA-N	406.555	5.239	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccccc2OCc2ccccc2)S1	7165091	LTBAXDHOAJEZRG-PXLXIMEGSA-N	414.530	5.774	30	20	HKED	
C=CCN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1nc2c(s1)CCCC2	22579660	GYKJSOUCDSMWOZ-UHFFFAOYSA-N	423.586	5.304	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1	24013023	YKRCCHREBFPYRU-INIZCTEOSA-N	423.563	5.246	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3	46707040	NOYPOGNKPICAPD-CYBMUJFWSA-N	418.305	5.073	30	20	HKED	
CCC(CC)c1nnc(/N=C(\O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)s1	51586435	PMCLNRALPRSCCE-ZWKOTPCHSA-N	402.564	5.087	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C	62402643	TYZIEVFZRXRNRR-UHFFFAOYSA-N	419.569	5.130	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)c2)cc1	65412358	IORGPAWQTLVJJU-BJKOFHAPSA-N	415.468	5.148	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)c(Br)cc1O	214138558	XIUZHHSLESGAIU-DAXSKMNVSA-N	401.178	5.078	30	20	HKED	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCCC#N	251632080	RHAPCQJGTYVZIL-OWSLCNJRSA-N	414.550	5.389	30	20	HKED	
C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)C1	253603974	QELMZFJTOQCNHL-KRWDZBQOSA-N	416.550	5.166	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1Cl	302839786	YQNTZWGRCSISKW-UHFFFAOYSA-N	421.884	5.293	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1	303101129	HTBBTRFDATZYRD-KRWDZBQOSA-N	402.450	5.074	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1cc(Br)cs1	409824783	BGELQGFMHHDZFA-UHFFFAOYSA-N	417.353	5.682	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	426305277	WBVHDGIGWLDBEV-FQEVSTJZSA-N	419.525	5.424	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)c1	438066972	NHFWRMVAQDKIPF-DQEYMECFSA-N	422.488	5.654	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@@H](CCC#N)c3ccccc3)cc(-c3ccco3)nc21	439677740	JYOHASWVLAOTCJ-FQEVSTJZSA-N	413.481	5.047	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1	441529744	AVWIDUATFKUSKI-LJQANCHMSA-N	412.496	5.702	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3cccc(CSc4ccccn4)c3)on2)c1	447447293	FOXUBOZPJGGLAL-UHFFFAOYSA-N	412.474	5.153	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CSC[C@@H]2CCCCO2)c1	460341810	XURYCRCBONUXMQ-NRFANRHFSA-N	414.958	5.047	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)s2)cc1	463749330	VQADGQASZDVHDG-OAHLLOKOSA-N	418.305	5.120	30	20	HKED	
CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464462532	AEQXQGJAMIFITB-CQSZACIVSA-N	418.806	5.196	30	20	HKED	
Cc1cnc([C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C2CC2)s1	464795488	QCGJQEAHXTUDOP-NRFANRHFSA-N	403.507	5.305	30	20	HKED	
CCc1cnc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	466330207	WLCWVNGTNQAAGB-UHFFFAOYSA-N	406.511	5.042	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)C	470558622	IRSSCLVBRZMRTQ-DEOSSOPVSA-N	418.541	5.097	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccccc3OCc3cccc(Cl)c3)o2)cc1	471660248	VMYUYWNZZUBEHO-UHFFFAOYSA-N	416.868	5.453	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccccc1	476552606	UKPRHNBLFSDPAH-CYBMUJFWSA-N	422.357	5.243	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@@H]1c1ccc(Br)s1)c1ccccc1	476674086	RIHBQIBZKKPYSW-HZPDHXFCSA-N	403.345	5.262	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1n[nH]c(-c2ccccc2)c1Br	476790852	XUZMIFIDEMMJQZ-UHFFFAOYSA-N	424.342	5.943	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21	480571305	HSXNAAVBRZYKKV-FQEVSTJZSA-N	413.974	5.616	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1	482172624	YQNAEWFBYGLISU-HSZRJFAPSA-N	412.524	6.632	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c1	483231725	FUQKERWHPSFKRM-NRFANRHFSA-N	423.859	6.042	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C	485760095	VPZDZOHEXUSECS-QZTJIDSGSA-N	422.594	5.644	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)Cc3c(Cl)cccc3Cl)s2)cc1	487450933	QWDKEVAOFZIIKZ-UHFFFAOYSA-N	402.306	5.094	30	20	HKED	
N#CCCC[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1	487518775	XTBOSHZVNBZIEB-FQEVSTJZSA-N	407.901	5.479	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1	487579517	ZOPXGKKYCQTCPS-UHFFFAOYSA-N	408.502	5.087	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc(-c4cccs4)oc3C)o2)cc1	489772909	HAWROFHOGVUJNH-UHFFFAOYSA-N	411.508	5.619	30	20	HKED	
O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cc(C(F)(F)F)ccc1F	490282312	GEDUATVGDZNGCO-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)c1	490533888	HYINFOWCRRYPGW-UHFFFAOYSA-N	405.429	5.033	30	20	HKED	
O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	490956934	WYPPVZJVSKIABN-LBPRGKRZSA-N	411.292	5.450	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)sc2c1CCCC2	494111082	DIKISIDYPOPIHB-GJZGRUSLSA-N	401.329	5.003	30	20	HKED	
CCN(CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)[C@@H](C)c1ccc(C#N)cc1	497617958	JZWJQQGMIDRBNE-XDHUDOTRSA-N	421.541	5.048	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc12	499922760	QAJHWAJJKLCKDT-IBGZPJMESA-N	420.925	5.103	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2C(F)F)cc1Cl	502170106	KZVFUOWURYQHIG-MJGOQNOKSA-N	403.860	5.647	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1	502316391	JUNQXXUZGKDYJG-OAQYLSRUSA-N	421.884	5.657	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1	505185908	SSCHFZWVGZYCCR-DQEYMECFSA-N	412.489	5.160	30	20	HKED	
CC(C)c1[nH]ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	507658235	GJQSSOCBOOGOGX-UHFFFAOYSA-N	418.444	5.328	30	20	HKED	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccccc1Sc1ccccc1C#N	508031435	XNPVERFYJQQDQZ-HNNXBMFYSA-N	406.532	5.162	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)o1	513678323	LOIXEMKBUZDSQI-SBUREZEXSA-N	423.532	5.069	30	20	HKED	
Cc1sc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c(C#N)c1C	514851553	OOQHGEUVUTYUBD-UHFFFAOYSA-N	417.412	5.695	30	20	HKED	
CO[C@](C)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	517345803	JHBIMARRJGSBGD-URXFXBBRSA-N	404.897	5.496	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1cc(F)ccc1F	517451789	VQDJCDYPAZPQTI-KBPBESRZSA-N	406.523	5.792	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1	517781138	CGILYMXSSPXVSA-UHFFFAOYSA-N	417.484	5.719	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)c1	517862675	WIMPPQMHSOHTQA-UHFFFAOYSA-N	410.395	5.337	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1	518554597	NDMUAWVEXUMDHA-UHFFFAOYSA-N	412.367	5.021	30	20	HKED	
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1	519063114	GHFBGRHRDPWTMB-HXUWFJFHSA-N	407.558	5.287	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1occc1CSc1ccccc1	519876949	NAXSXQRHWVSAOK-UHFFFAOYSA-N	408.479	5.309	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)cc2)cc1	521061475	AIVCSTJJZNPZSL-UHFFFAOYSA-N	408.461	5.042	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1Cl	521769746	UDGXWUASJREXHH-HNNXBMFYSA-N	417.214	5.206	30	20	HKED	
COc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	521810609	VXTUCCYWLZCKTH-UHFFFAOYSA-N	415.493	5.456	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C	522574334	SQKSBHYMWYUTKR-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)cc4cccnc34)o2)cc1	524421616	AKFOZWPKHPTSKN-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	525348281	RWOBJEHBRORNBB-QHCPKHFHSA-N	400.482	5.751	30	20	HKED	
CCC(CC)CN(CCC#N)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1	534474757	RGZSNKCTWFEUAA-UHFFFAOYSA-N	412.603	5.596	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1Cl	535660902	IJAGCNLISQPJNW-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#C[C@@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1	537384433	QZVQOJDZSMPSCK-LBPRGKRZSA-N	414.273	5.748	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2csc(COc3ccccc3)n2)cc1	538001545	CONFYQNWHYSRPO-UHFFFAOYSA-N	411.530	5.551	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	539183061	GCTPWYJQKGDWTP-UHFFFAOYSA-N	410.521	5.456	30	20	HKED	
Fc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c2c(c1)COCO2	539422303	HDHKQZFDIDPPMT-INIZCTEOSA-N	409.301	5.104	30	20	HKED	
CC(C)CN(C(=O)c1ccc(CC#N)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1	540452664	AKQPNEUQHCULRT-UHFFFAOYSA-N	420.494	5.087	30	20	HKED	
Cc1ccc(C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cn1	541250831	KTWRKUFGZBDQSU-UHFFFAOYSA-N	413.546	5.433	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1Cl	550225055	KWMOZFCNGKCARX-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	554399008	JWRCYWXNMWLZHC-FHZYATBESA-N	422.960	5.086	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccnc2-c2ccccc2)c1	565789339	NPCRXUCCIRCRAK-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)Nc1ccc(C#N)c(F)c1	589414438	LORRGBQGIXGJFS-UHFFFAOYSA-N	411.502	5.008	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	604026957	OERNAEDDDYOMPO-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
CN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1cccc(C#N)c1	604433898	KBLTYPBYJSKUII-UHFFFAOYSA-N	415.443	5.580	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2)cc1	604690915	ODTBCJHTQKGALP-FQEVSTJZSA-N	421.378	5.041	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@H](c2cccc(F)c2)C1	608964008	YUDFKPFVWOVGPT-NRFANRHFSA-N	418.493	5.062	30	20	HKED	
CCc1c(C)sc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c1C#N	609032641	XTHBMMNLPNIUAJ-UHFFFAOYSA-N	416.344	5.224	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	609061142	SRFWYYTWLWDJSL-RTBURBONSA-N	416.443	5.753	30	20	HKED	
COc1ccc(CCCN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	609209344	NUKGTWJTWITXIO-UHFFFAOYSA-N	415.493	5.456	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1	609317820	FTDUVTCPKQZDPB-CQSZACIVSA-N	407.499	5.044	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc2ccccc12	609436394	NATFLJFVKZADKN-IRXDYDNUSA-N	417.534	5.050	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccccc1Cl	609595855	FSDCUTSWCJVOHP-CQSZACIVSA-N	423.097	5.232	30	20	HKED	
C[C@@H](N=c1cc(C#N)[nH]c2ccccc12)c1cccc(NC(=O)Cc2ccccc2F)c1	610273476	UDNRCTPSWXLGOG-QGZVFWFLSA-N	424.479	5.022	30	20	HKED	
CC(C)OC1CCC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	611042094	QBWHRVXLFGRWSI-UHFFFAOYSA-N	421.541	5.189	30	20	HKED	
Cc1cc(C#N)ccc1CS[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1	614395250	FUBFVPVHVYPPRW-CYBMUJFWSA-N	407.520	5.831	30	20	HKED	
CN(C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@H]1CCCC[C@H]1C(F)(F)F	643450368	HYBGDVMWRROKQL-OLZOCXBDSA-N	418.328	5.926	30	20	HKED	
COc1ccc(CCN(Cc2ccccc2)C(=S)Nc2ccccc2C#N)cc1	727086509	IMUQIFBWFNCWQN-UHFFFAOYSA-N	401.535	5.009	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2cc(-c3ccco3)on2)cc1OCC	727485820	UALVCRQBFKABDK-UHFFFAOYSA-N	404.850	5.326	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3cccc(O[C@H](C)C(=O)O)c3)s2)cc1	727653886	BBEXJIGGCIJDRY-ONOODXEBSA-N	407.491	5.175	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1	727954258	YDBZEHCFEGIYCC-LNYGYFNRSA-N	408.885	5.022	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728062295	HROOWNUYYMCOGJ-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1	728482983	WAUYIKQHFWAJDC-UHFFFAOYSA-N	422.484	5.177	30	20	HKED	
COc1ccc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)cc1OCc1ccccc1	730085946	WKCIPYMDMFLOGS-ZRDIBKRKSA-N	412.489	5.098	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	730420853	HPQLAIAXWIUIST-GOSISDBHSA-N	408.498	5.617	30	20	HKED	
Cc1ncccc1/C=C1/CCc2nc(-c3ccccc3Br)sc2C1=O	730435484	AKCSCPOIGAMLDG-KAMYIIQDSA-N	411.324	5.489	30	20	HKED	
CCCc1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731962988	YBSFPMHQHVMZEX-XMMPIXPASA-N	404.535	5.051	30	20	HKED	
CCCCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	735208261	LFWSADGWALSTFN-IBGZPJMESA-N	423.900	5.023	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(SCC(F)F)cc2)cc1OC(F)F	741843100	NFIRSVDNIIDTBX-WAPJZHGLSA-N	400.393	5.550	30	20	HKED	
Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N(C)C)cc1	743294619	QRQBEQIWWHJXPE-JWQCQUIFSA-N	412.537	5.075	30	20	HKED	
CCCN(CC)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	744031205	UFTHSYMFMABUIR-KRWDZBQOSA-N	418.324	5.191	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CC(=O)c3cccc(F)c3)n2)cc1	744031358	LIOOOWBFOKKNME-HNAYVOBHSA-N	406.482	5.343	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744034892	FWZBGBDTTMSLSS-MFKMUULPSA-N	408.832	5.948	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)s1	744115357	HXBOJHYRJZEALW-WCBMZHEXSA-N	409.305	5.239	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(-n2cccn2)c1	745934703	ZTSHIQNMHUCNPR-KBMIEXCESA-N	421.504	5.410	30	20	HKED	
CC(=NNc1c(Cl)cc(Br)cc1Cl)c1ccc([S@](C)=O)cc1	746371413	BHEJVZOABNPMLI-QFIPXVFZSA-N	420.159	5.329	30	20	HKED	
N#Cc1cc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)ccc1F	756261121	OHBFZAYYWYTNEO-NTUHNPAUSA-N	413.886	5.873	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c([N+](=O)[O-])c1	764307202	OQRJFBQSOBWZDJ-UHFFFAOYSA-N	404.131	5.044	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)[nH]c12	770541829	GZQIRHGGJGMKGX-WJQTUHTMSA-N	403.791	5.347	30	20	HKED	
O=C1/C(=C\c2ccc(SCc3ccccc3)cc2)CS(=O)(=O)c2ccccc21	771849343	FZVZPINVLDTYPD-RGEXLXHISA-N	406.528	5.033	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(OCc3ccccc3)c2)c1	772984811	QHBLVXBVKOOVEQ-RDPSFJRHSA-N	400.522	5.797	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CCC(C(F)(F)F)CC1	774056758	YJXLLNICTSJBDA-RPFQZYLTSA-N	407.219	5.009	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1	774073936	ZDDJLHOJHAHCJG-CQSZACIVSA-N	417.303	5.315	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2c1	775485863	VRBOXJBAKADKSP-ZDUSSCGKSA-N	411.914	5.543	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	775989940	XYNMZSQNNIWKCC-OAHLLOKOSA-N	417.309	5.033	30	20	HKED	
COc1ccc(CCC=Nn2cnnc2SCc2ccc(Cl)cc2)c(C)c1	777431009	VCGCFCSDHSFGOO-UHFFFAOYSA-N	400.935	5.008	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1OC	779100080	GKNKZOICFNICMJ-OZXSUGGESA-N	400.522	5.564	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	779743435	XMDYZAMASZNVAM-PGRDOPGGSA-N	405.542	5.051	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12	780669475	KGLVSNALPGSWBD-IRYQBYIUSA-N	423.516	5.396	30	20	HKED	
CC(C)(C#N)CCCOC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1	783085793	WCGILKZDILAPSO-UPVQGACJSA-N	418.537	5.040	30	20	HKED	
CC(C)c1cccc(NC(=S)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1	787195807	GAJHCFHNZNMXMI-UHFFFAOYSA-N	406.555	5.202	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N[C@H](CCC#N)c3ccccc3)ccc21	793713127	KVAOXODKIKFWMM-OAQYLSRUSA-N	419.525	5.149	30	20	HKED	
COc1ccc(CCC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1Br	797570553	HNHUHYRHIVGNGO-CYBMUJFWSA-N	421.360	5.021	30	20	HKED	
C=CCn1c(-c2ccccc2C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	800773600	ITMPDIUDDMZYBY-QFIPXVFZSA-N	422.960	5.043	30	20	HKED	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCO[C@H](C)C#N)nnc1-c1cccs1	801653659	IJWQHEGBNIHCCW-JSRQGNBESA-N	402.589	5.025	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-c2ccccc2)nc2ccccc12	804464823	TWMCUFKAJXCQGH-UHFFFAOYSA-N	412.489	5.206	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1	812953500	DEEUDGNWCVKKQX-UHFFFAOYSA-N	422.287	5.446	30	20	HKED	
CC(=NOCc1nc(-c2cccs2)oc1C)c1nc2ccccc2n1C(F)F	818291429	VEQUWDGZJSGNNO-UHFFFAOYSA-N	402.426	5.397	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3SC(F)(F)F)s2)cc1	914722902	VJCOSNLLOYEGQN-UHFFFAOYSA-N	419.453	5.470	30	20	HKED	
N#C[C@H](C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2ccccc2o1	915104534	GYEAUDSKPUEYBM-WSACYYNKSA-N	413.315	5.128	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)n1-c1ccccn1	915199729	KEYSILADYIEBKO-XMMPIXPASA-N	406.489	5.397	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(Br)cc2F)ccc1OC(F)F	916127016	VLUOFCWTYHAQMY-UTCJRWHESA-N	401.178	5.094	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc([N+](=O)[O-])c1	918712581	BTRJPZQJRXBKCC-HJWRWDBZSA-N	404.369	5.633	30	20	HKED	
CC(C)NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	919665542	BOXJRVVEBIGPOJ-INIZCTEOSA-N	421.349	5.133	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccccc3)CCC2)cc1)C(F)(F)F	1791305906	YLAFRSXTEFXOPL-HNNXBMFYSA-N	416.443	5.043	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1	10174370	JIZIKGNBPZEXAO-UHFFFAOYSA-O	401.555	5.076	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nc2cc(Cl)ccc2c1=O	12239840	OWDQSJWODJFODR-UHFFFAOYSA-N	423.925	5.492	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc2c(c1)CCCC2	22804673	LIIBYVUSRLPHOG-UHFFFAOYSA-O	409.619	5.089	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)c1	31734052	KQSNONUUHXRPHJ-UHFFFAOYSA-N	424.323	5.260	30	20	HKED	
Cc1cc2occ(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2cc1C	59265088	NHGSJHKNZUYSRO-UHFFFAOYSA-N	400.400	5.055	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnn(-c2ccccc2Cl)c1	64393869	FFMVZJJVOGXMCS-UHFFFAOYSA-N	404.882	5.378	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1	64456390	UKBICSRHDVVKBP-UHFFFAOYSA-N	422.488	5.039	30	20	HKED	
C=CCN(C(=O)c1ccc(COc2ccc(C)cc2C)o1)c1nc2c(s1)CCCC2	64692224	GIZNVTQHWXHCBA-UHFFFAOYSA-N	422.550	5.644	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	147957547	RJZNJYKPKUSTMO-QHCPKHFHSA-N	403.441	5.176	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1	237498865	AEQKXPAJKRVMJJ-OALUTQOASA-N	404.485	5.546	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSCc2cccc(Cl)c2)n(Cc2ccco2)c1C	302988749	IZYSQSGIHMUEJT-UHFFFAOYSA-N	413.930	5.143	30	20	HKED	
N#Cc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1	303053384	SDENVCVZDATURG-HSZRJFAPSA-N	419.322	5.159	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	303317182	HAVHOUUMEHAVQL-UHFFFAOYSA-N	414.490	5.624	30	20	HKED	
C=CC[C@H](CO)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	410071049	QOMSBLXOVMEWPJ-CQSZACIVSA-N	401.915	5.045	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F	410343740	HUYWTSMDFXBUPY-UHFFFAOYSA-N	418.468	5.214	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CSc2ccc(Br)cc21	426864385	MVBGBXUTVRUMLS-OAHLLOKOSA-N	409.374	5.055	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433656803	QGZLSUXBSSQXNT-IBGZPJMESA-N	407.411	5.010	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2cc(Cl)ccc2s1	435976136	ZMHAEDHHODVHSZ-UHFFFAOYSA-N	423.881	5.270	30	20	HKED	
C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437730683	CPCCSJHKHMPRLQ-SBUREZEXSA-N	415.924	5.974	30	20	HKED	
C=CCOCCCC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1	442619939	RGYNFQYXBUZXJB-UHFFFAOYSA-N	408.548	5.590	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1	447586180	MRKXJFMYJFHISS-DXCKQFNASA-N	404.377	5.614	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	460459595	FOAWTOMBYVUKGF-UHFFFAOYSA-N	415.255	6.081	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F	464820871	GRWHGLMCOUQVDJ-MAUKXSAKSA-N	421.850	5.069	30	20	HKED	
N#Cc1cccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c1	465517775	NULZIGPRECZHIC-UHFFFAOYSA-N	401.432	5.231	30	20	HKED	
C=CCn1c(S[C@H](CC)c2ccc(Br)cc2)nnc1-c1ccncc1	471210158	JMIMMGLPHVZHQU-QGZVFWFLSA-N	415.360	5.532	30	20	HKED	
COC1CCC(C)(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1	472286476	UTRRABOCFUKQGR-UHFFFAOYSA-N	423.532	5.004	30	20	HKED	
N#CCC[C@@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)ccc1Cl)c1ccccc1	472624749	RZGRDRWKGFTMJX-OAQYLSRUSA-N	417.896	5.107	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	472686264	LGSWYVMDIFHXHP-UHFFFAOYSA-N	412.555	5.092	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1	473669819	GEQBVCYDBBXKLW-VWLOTQADSA-N	411.461	5.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1	475564486	SZUVGPKXEUMYOD-UHFFFAOYSA-N	419.569	5.307	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1N1CCCCC1	477584614	FLQOQRQSVFOMLS-SFHVURJKSA-N	408.571	5.250	30	20	HKED	
CC[C@@H](C)c1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	478303100	HCNHZPCQLDJCAA-MRXNPFEDSA-N	402.523	5.406	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1	480006875	QIAGOVGHWUHKCN-LEWJYISDSA-N	401.535	5.339	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCCc2cccnc21	480563116	JVTHBZAALVPQFL-PXNSSMCTSA-N	408.571	5.797	30	20	HKED	
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)o1	481298980	JTZBDQDEPZYLJC-MGPUTAFESA-N	421.476	5.044	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccccc1C	481373930	NXVYFKQNLPFPAL-MRXNPFEDSA-N	424.595	5.281	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	482021375	LXOCHPSJMTUCLS-DYVFJYSZSA-N	406.379	5.293	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	483195837	JFOHSXGWTDSVBC-SFHVURJKSA-N	421.378	5.707	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cnn1-c1cccc(Cl)c1	483219714	UWVVTMGBHDCLCK-KRWDZBQOSA-N	415.884	5.082	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1	483617821	COEBXTWQYXANJK-KUHUBIRLSA-N	412.415	5.210	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ncn(C3CCCCC3)n2)cc1	484853682	ORTCEFRDPCFAPF-UHFFFAOYSA-N	417.538	5.200	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1	485371202	FPZJXASXKNSJBG-UHFFFAOYSA-N	413.493	5.580	30	20	HKED	
N#Cc1ccc(Br)c(CSCc2nnc(-c3ccccc3)s2)c1	492175891	NXTSBOKVYBNFFK-UHFFFAOYSA-N	402.342	5.273	30	20	HKED	
C[C@H](NCc1cc(C#N)ccc1Br)c1cccc(OCc2ccccn2)c1	492751568	TUPDFYGJEZXZLP-INIZCTEOSA-N	422.326	5.146	30	20	HKED	
COc1cc(C#N)ccc1CSc1nnc(-c2ccccc2C)n1Cc1ccco1	499307946	IQOUMBNSKCCYAQ-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
CCC[C@@]1(C(F)(F)F)CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	499530288	SFTLIWDWLWLDNQ-FQEVSTJZSA-N	403.404	5.083	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cnccc2Oc2ccccc2)o1	499639648	GWUUBKDIOSEUKO-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc12	499954518	XCHKWULWIMVYEY-SFHVURJKSA-N	406.898	5.044	30	20	HKED	
N#C[C@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccc(Cl)cc1	505821464	ONQMTWVOAUHUIG-IBGZPJMESA-N	411.889	5.161	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505832548	PZXMZVBVFMJDHD-UHFFFAOYSA-N	423.410	5.471	30	20	HKED	
CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H](C)c1ccc(C#N)cc1	509575898	RGROIBDNMIIUDH-LJQANCHMSA-N	409.489	5.232	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1	512253141	NUJDJDSCCZEVRI-UHFFFAOYSA-N	424.732	5.411	30	20	HKED	
N#C[C@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2s1	513692039	IUZDQBMXHNZHAQ-GOSISDBHSA-N	421.485	5.034	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)n1	514525439	AJIBFMWCVBLFNU-MRXNPFEDSA-N	409.342	5.027	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)cc1	517346949	XMUFERBUBOYOQR-QFIPXVFZSA-N	420.509	5.214	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	518821695	BXKUCERYPDTMGH-KRWDZBQOSA-N	404.466	5.008	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1	518850180	OZJCYWHGKMDZFL-DCGLDWPTSA-N	413.226	5.497	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1	519406886	CTSITABKCQAEKU-UHFFFAOYSA-N	418.400	5.013	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccccc1	521141172	PFBUSZNUQJBKNU-UHFFFAOYSA-N	400.453	5.202	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1	522844410	XPBFSPLCLYWHDM-INIZCTEOSA-N	419.554	5.369	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SCc3nnc(-c4cccc(C#N)c4)o3)o2)cc1	525110553	UOTWIIPLXAMHGM-UHFFFAOYSA-N	417.494	5.248	30	20	HKED	
CN(C(=O)CSc1ccc(C#N)cc1F)[C@H](c1ccccc1)c1ccc(F)cc1	525628349	BJZYLQRJNPJJSI-HSZRJFAPSA-N	408.473	5.177	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ncsc3-c3ccccc3)n2)cc1	527101123	CVFJIKMCMSVZKV-QGZVFWFLSA-N	417.515	5.432	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1	532899390	XKWWVCWRXXEPCI-JXFKEZNVSA-N	413.974	5.367	30	20	HKED	
N#C[C@@H](NC(=O)c1sccc1-c1ccccc1)c1ccc(OC(F)(F)F)cc1	535782768	PPSLTBLHEVYODW-QGZVFWFLSA-N	402.397	5.308	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1	536887800	ZWHVEZZWFCNZEJ-UHFFFAOYSA-N	413.502	5.109	30	20	HKED	
C[C@H](N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)Nc1ccccc1C#N	537218685	FKNURXQCLRSGCB-HXPMCKFVSA-N	421.850	5.298	30	20	HKED	
Cc1ccc(NC(=O)C[C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c(Cl)c1	537985027	QAXLYTWWTNUIPG-OAHLLOKOSA-N	408.851	5.026	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(C)c1-c1ccccc1	539360061	NKMXSMPDCOAAPN-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1ccc(Cl)cc1	539658304	UVONEDOZXITVMU-CQSZACIVSA-N	421.953	5.818	30	20	HKED	
CCCc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cnn1-c1cc(C)ccn1	544863864	FWOCXRALJDLECJ-UHFFFAOYSA-N	421.504	5.319	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C#N)c(Cl)c2)cc1	548610138	ZEJFPPUIUTWFJJ-UHFFFAOYSA-N	401.853	5.109	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1	548906451	CEQCYKUJSGLKNT-JOCHJYFZSA-N	422.960	5.233	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1	554962474	UGDWEIXOEAPOLO-ACJLOTCBSA-N	403.309	5.317	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc3nc(C(F)F)sc3c2)c1	557146895	DQVNVDFEUWJZDX-UHFFFAOYSA-N	401.438	5.293	30	20	HKED	
C[C@H](N[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccc(C#N)cc1	558742405	NHLYNSHFUKSDKP-ZWKOTPCHSA-N	414.940	6.021	30	20	HKED	
FC(F)Oc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1	560065699	RKEDIPDOWAXEEC-UHFFFAOYSA-N	400.269	5.010	30	20	HKED	
CCCCn1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)n1	560975291	NEVXDHGIUQQDQK-UHFFFAOYSA-N	417.513	5.286	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(COCc2ccccc2)cc1	562198520	PNZWLIUOLXVPNL-UHFFFAOYSA-N	420.509	5.099	30	20	HKED	
C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC(F)(F)F)CC1	570554719	GISMGAVXTLRPBE-UHFFFAOYSA-N	415.463	5.157	30	20	HKED	
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@](C(=O)O)(C(F)(F)F)C1	578833462	VSTAGCDOIVCQTC-SDBXPKJASA-N	423.275	5.124	30	20	HKED	
N#Cc1ccc(N2CC[C@H](C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)C2)c(F)c1	582114578	VUBMIZZTLQVHAX-KRWDZBQOSA-N	421.422	5.108	30	20	HKED	
N#CCCCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1	588151786	WABDRFBBPNKIJT-FQEVSTJZSA-N	415.990	5.091	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	588245338	LUXGNPILMLPDKX-QFIPXVFZSA-N	418.541	5.115	30	20	HKED	
N#CCCCCCC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	588369561	JDRXAYXTCJMSTO-UHFFFAOYSA-N	405.285	5.053	30	20	HKED	
CCn1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C	589018808	AHGZJEFKKRFASV-CQSZACIVSA-N	419.337	5.440	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1	592433511	GEXBIIJPKSGXKJ-UHFFFAOYSA-N	417.600	5.089	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	592825068	MITNTJLTEYHBIF-GDBMZVCRSA-N	405.995	5.236	30	20	HKED	
CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604499491	DUWWCNFWUZXIHS-UHFFFAOYSA-N	416.481	5.198	30	20	HKED	
CCCCOc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1OC	609414739	SBAOQOSKTLXFHR-INIZCTEOSA-N	407.297	5.176	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)CC1	609508765	SZELMVFCMNJFGF-GBBDAIBUSA-N	410.517	5.321	30	20	HKED	
N#Cc1cc(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)nc2ccccc12	609892949	PMYQEZWBWYOORU-UHFFFAOYSA-N	415.500	5.630	30	20	HKED	
COc1cc(C#N)ccc1OCCSCc1coc(-c2cccc(Cl)c2)n1	610136767	WULVUVAXRMKHNE-UHFFFAOYSA-N	400.887	5.187	30	20	HKED	
CCOc1ccc2c(c1)[C@H](NCc1cccc(OCc3cccc(C#N)c3)c1)CCO2	614100969	HQVFQBGQLOGMEM-RUZDIDTESA-N	414.505	5.149	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(Cl)cccc4s3)n2)cc1	619756525	SBRFHHLXLDVVAU-HNNXBMFYSA-N	419.918	6.040	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@](C)(C#N)C1	619834367	TYPONLQSKUJXHS-DFBJGRDBSA-N	415.541	5.277	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674562892	FZFZEHDVMQHJDT-YUMQZZPRSA-N	412.227	5.049	30	20	HKED	
O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(Cc2cccc(F)c2)CCC1	681270978	FSOOYJPMVNVVKT-ZIAGYGMSSA-N	411.361	5.128	30	20	HKED	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1C(F)(F)F	728122762	NMEVCUMLGDDDHM-UHFFFAOYSA-N	408.317	5.917	30	20	HKED	
Cc1ccc(Cn2nc(C)c(CCC(=O)N(CCC#N)c3ccc(C)cc3)c2C)cc1	730215314	XCWDSUNMKUTXGV-UHFFFAOYSA-N	414.553	5.045	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc2cc(F)ccc2s1	730422601	ZGKFLMCFTQTZHY-CQSZACIVSA-N	408.376	5.143	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730685986	LDYNNWCIPQAAMD-BRWVUGGUSA-N	411.288	5.478	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/Sc1ccccc1	730996295	XLYKGOQKPVCDHP-FMIVXFBMSA-N	408.470	5.956	30	20	HKED	
C#CCOc1ccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1	731111773	HRSVEEKYHANGNG-UHFFFAOYSA-N	411.914	5.106	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	731198738	PEZMIIJODTYLOA-OAQYLSRUSA-N	421.541	5.003	30	20	HKED	
COc1ccc(OC)c(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	731317555	HUNBPWYSJBDHDW-UHFFFAOYSA-N	405.479	5.177	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(CC2CCCCC2)CC1	731399986	JZUJHTJHYDNFPX-GOSISDBHSA-N	414.619	5.247	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccccc3)nc2)cc1	733680293	YUTKXJQEWOFEHQ-HTAPYJJXSA-N	413.477	5.349	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC3CCCCC3)cc2)c1	734935235	OTJFYWKZXDNPFO-HXUWFJFHSA-N	407.514	5.401	30	20	HKED	
O=C(/C=C/c1cc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)C(F)F)cc1	735231848	BQAIRPYMAXPYDL-DHZHZOJOSA-N	404.459	5.308	30	20	HKED	
Cc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(C)n1CC(F)(F)F	739750371	REQOTJJSBCEVOS-UHFFFAOYSA-N	417.456	5.197	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ncc(-c2ccccc2)o1	740435969	YNFKIVBKKVMIQJ-JPYJTQIMSA-N	422.488	5.880	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)/C=C/c2ccccc2C#N)C(C)C)cc1	741640747	RIHPVOBOGNXEMH-WUKNDPDISA-N	410.517	5.684	30	20	HKED	
C#Cc1ccc(C(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C(C)C)cn1	741970399	ZVYIZNAWRMCZGR-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	744016418	MZBUZRQUOHXLRX-RCCFBDPRSA-N	411.288	5.478	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037880	HJQTZDJHGPLJLM-IUODEOHRSA-N	420.431	5.899	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2cccc(C)c2C)ccc1OC	745819986	QUXYCJSWLLNPSD-RBBKRZOGSA-N	421.541	5.040	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)s1	749017673	ZJUXALTXTIBRQL-VGOFMYFVSA-N	410.467	5.040	30	20	HKED	
CC(=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccc2ccccc2n1	749813326	YQXZIIGMZCJDKW-UHFFFAOYSA-N	410.502	5.254	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1OC(F)F	753228652	NTHCUZFSSMFQPJ-SEWDUPMJSA-N	402.466	5.724	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCC(=O)c3cc(Cl)sc3Cl)[nH]c12	756289086	FFFXGVKJJDRCQH-NSHDSACASA-N	406.294	5.079	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C[C@H](O)c1ccccc1	758583589	GSRPECSSDSPYGB-KOSHJBKYSA-N	415.493	5.293	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl	764302608	WDOCXIMLTODPTA-UHFFFAOYSA-N	401.875	5.430	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	764963807	LGIXCXIBJYEMHI-QGZVFWFLSA-N	423.513	5.291	30	20	HKED	
C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	766037113	JDCXPJAJBLOBOR-HJPURHCSSA-N	419.456	5.123	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1	766409600	YHEMUDSSIIIPGL-FQEVSTJZSA-N	414.415	5.058	30	20	HKED	
O=C(Nc1ccc(F)nc1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	766749225	GUSGAWGJBVUHBZ-QSOZTJJNSA-N	424.360	5.282	30	20	HKED	
COc1cc(C(=O)/C=C/c2cncc(Br)c2)ccc1SC(F)F	767360982	NSHXVTQOMFGPSZ-DUXPYHPUSA-N	400.244	5.064	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1csc(-c2ccc(Br)s2)n1	768714854	LLTSLEXIUQDSQL-UHFFFAOYSA-N	413.362	5.511	30	20	HKED	
CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(SC2CCCC2)cc1	769810830	UHMPQYQVYHWYRH-UHFFFAOYSA-N	424.574	5.158	30	20	HKED	
C=CCNc1ncc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)s1	771023464	AKKMHSUHXSGSEW-INIZCTEOSA-N	407.539	5.250	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	771260279	FSHKXXDVJWCCLN-ALLUHVBJSA-N	400.290	5.402	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)N(C)Cc4cccc(C#N)c4)cc3C2)cc1	772591643	PZOMNULZPVECSA-UHFFFAOYSA-N	424.548	5.866	30	20	HKED	
C=CCC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(C(F)(F)F)cc1	775037975	QUJUKUQJPFWTKW-INIZCTEOSA-N	410.392	5.125	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(Cl)c(Cl)c2O)ccc1OC	775521314	UXFQTJCOXNHJLS-RHSMWYFYSA-N	423.340	5.629	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(SC(F)F)cc1	777113960	GCEYHDHNTZXGHZ-AWEZNQCLSA-N	403.498	5.007	30	20	HKED	
C=CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1	778429443	NORUABSEDSXMOJ-OAHLLOKOSA-N	411.807	5.200	30	20	HKED	
Cc1cc2ccc(Cl)cc2nc1NNC(=S)Nc1ccc(C#N)c(Cl)c1	778527301	ARNKRAJDMKDUER-UHFFFAOYSA-N	402.310	5.035	30	20	HKED	
Cc1cc(NC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)nn1CCC#N	782724245	PPGQEGGKULETMZ-ZDUSSCGKSA-N	424.357	5.035	30	20	HKED	
COc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F	785526938	DWNGBDDBULYOKI-AWEZNQCLSA-N	423.875	5.785	30	20	HKED	
CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	785837322	NPSADBBEJDHKEM-DEOSSOPVSA-N	408.505	5.877	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C1\CCc2cc(C#N)cnc2C1=O	788358614	ZTLIKQQKTYSBEC-RQZCQDPDSA-N	423.303	5.026	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)c1	790358951	IBGHEXXPINBMOL-IBGZPJMESA-N	419.447	5.032	30	20	HKED	
C=CC[C@H](OC(=O)C1CCC(NC(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1	797554855	ZBWAXTYKKHBPLS-KJXMEXGPSA-N	410.341	5.239	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccc(C(C)(C)C)cc1	802707713	CZLFQBAFNKFAAX-UHFFFAOYSA-O	420.385	5.012	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNc2nc(Cl)c(C#N)s2)cc1	804356716	NYLILTMXQYXUFT-UHFFFAOYSA-N	400.891	5.256	30	20	HKED	
CCc1ccc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)cc1	814282907	ILWWLDVIBNHYPV-HMMYKYKNSA-N	407.564	5.005	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3cccc(Cl)c23)cc1	815908138	UITHFJIOJMPJMC-SFHVURJKSA-N	407.901	5.054	30	20	HKED	
COc1ccc(C=NNc2ccccc2C(F)(F)F)cc1OCc1cccnc1	915048574	IXNMZJPPCBTTAX-UHFFFAOYSA-N	401.388	5.134	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	915990456	LHUXSTZYFORMKO-RMKNXTFCSA-N	411.797	5.031	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccccc4[N+](=O)[O-])c23)cc1	916357276	IGFNTESTNLVCQU-UHFFFAOYSA-N	419.466	5.111	30	20	HKED	
CCCc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1CC	916883325	IYLRNLSQPFOSSG-HNNXBMFYSA-N	422.522	5.539	30	20	HKED	
CC(C)c1cccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917043718	MXEJPHPCRHZNJK-INIZCTEOSA-N	418.440	5.694	30	20	HKED	
N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc2ccccc2o1	917509929	HCYWLXXXXANUQF-FQEVSTJZSA-N	423.447	5.924	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S	917645410	YRQBAZGHEOJTKQ-ODLFYWEKSA-N	406.463	5.363	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1	918641804	IDELHFLSHKAMQZ-HNNXBMFYSA-N	409.338	5.205	30	20	HKED	
O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc(-n2cccn2)cc1	918713779	VOMJKKALVQLKNM-WDZFZDKYSA-N	421.909	5.457	30	20	HKED	
FC(F)Oc1ccc(NC(=S)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	918721168	FDNRGSQCFGMCBB-RKDXNWHRSA-N	422.341	5.048	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)CCC1	1786290406	QXVNBKOLHDRENT-IBGZPJMESA-N	420.578	5.105	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1	1823752438	SJZPOOUBCZGCTQ-CEMLEFRQSA-N	402.623	5.035	30	20	HKED	
CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2)cc1	11263037	CVZUNIUTUNNXOO-UHFFFAOYSA-O	411.497	5.427	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2ccc(C)o2)n1)c1nc(-c2ccccc2)cs1	31877780	DIGZULKGLUQITI-UHFFFAOYSA-N	421.547	5.597	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ccccc3n2C(F)F)c1	45549992	UHSXCWDKNLVZSB-UHFFFAOYSA-N	414.481	5.087	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)n(C(C)(C)C)n3)n2)cc1	51154788	JXCZHQWMBLTJAF-KRWDZBQOSA-N	404.539	5.438	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CSCc1ccc(C#N)cc1	53426431	XDBLXQRJXBAPFK-HNNXBMFYSA-N	407.564	5.101	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1cnn(C(C)C)c1	58465477	SYCLCOWIPBRZOF-CMDGGOBGSA-N	403.313	5.220	30	20	HKED	
CC(C)(C)n1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1	62399321	GJISUVGPCJJDHH-LJQANCHMSA-N	407.905	5.591	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1	65471488	IYQYJNHOIKGMPT-UHFFFAOYSA-N	400.404	5.111	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(F)cc1Cl	72098931	NZSNTFADRPPHHT-UHFFFAOYSA-N	407.873	5.267	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)COc2ccccc2C#N)c(C(F)(F)F)c1	109734166	IMHBFRHVOONGPJ-ZDUSSCGKSA-N	408.445	5.485	30	20	HKED	
N#C[C@H](C(=O)CSc1ccnc2ccccc12)c1nc(-c2ccccc2)cs1	110657659	JRERHNZTLWOTLO-QGZVFWFLSA-N	401.516	5.327	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)/C=C\c1nc2ccccc2s1	213970973	RJZKVVJAARYUAB-SEYXRHQNSA-N	411.486	5.921	30	20	HKED	
CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H](C)c1ccc(C#N)cc1	303032997	ULGOAYAXFUBFPD-CYBMUJFWSA-N	409.839	5.252	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)cc(C)c2)cs1)c1ccc(F)cc1F	303288979	KIFUXLYVAOVSQV-FNORWQNLSA-N	412.461	5.619	30	20	HKED	
O=C(NC[C@@H]1CCC(F)(F)C1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	432465937	RIBZRHRGDCTTCG-SKDRFNHKSA-N	404.301	5.043	30	20	HKED	
C[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)c1c(Cl)cccc1Cl	433320264	RMZKNDHLXDEBRQ-OAHLLOKOSA-N	414.340	5.059	30	20	HKED	
CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	437490659	ANNWZFCIFRTWOK-UHFFFAOYSA-N	410.836	5.309	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOC2(CCCCC2)C1	437852846	RJBORRFLHSCAGS-UHFFFAOYSA-N	405.498	5.226	30	20	HKED	
COc1cccc(F)c1[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	438032800	XEVYKGBEMMFNAO-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	438157229	ILXCTPYCIOOYOB-UNMCSNQZSA-N	418.541	5.283	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1ccc(COCc2ccccc2)cc1	438379055	XDGHMRUWMRUIMT-UHFFFAOYSA-N	402.494	5.290	30	20	HKED	
CCCc1c(NC(=O)c2ccc(CSCC)cc2)cnn1-c1cccc(C#N)c1	440084481	WLKSNWGBGVCEJG-UHFFFAOYSA-N	404.539	5.202	30	20	HKED	
CCSc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	440355788	NIIUMWWTSCIZKF-UHFFFAOYSA-N	417.490	5.040	30	20	HKED	
Cc1ccc(/C=C\CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	440566835	FZIZFCGXSABNFX-IHWYPQMZSA-N	406.536	5.053	30	20	HKED	
C=CCC[C@@H](NC(=O)c1occc1Br)c1ccc(C(F)(F)F)cc1	441565856	MJYRXJPCLHCCCO-CQSZACIVSA-N	402.210	5.498	30	20	HKED	
COc1ccc2occ(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1	442517684	ZLGWHIFOCVHCRM-ZDUSSCGKSA-N	410.401	5.333	30	20	HKED	
C[C@H](SCc1nnc(-c2ccccc2Br)o1)c1cccc(C#N)c1	443153022	KSFZORFPTYZBRQ-LBPRGKRZSA-N	400.301	5.365	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)c1ccc(-c2cccc(C#N)c2)cc1	445255413	YPAGQMDCHZYCOA-QGZVFWFLSA-N	415.541	5.148	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1	460330466	NUKKTMSRESNPKK-YOFSQIOKSA-N	406.913	5.140	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	460443247	MJRYZUWHXUGIJO-NRFANRHFSA-N	402.494	5.132	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](c2ccsc2)O1	470741820	BJPXDOBISGWCPU-IVZQSRNASA-N	422.481	5.153	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	471874503	RSJAFWQLJPIENO-PTUXOGIPSA-N	413.525	5.105	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)c1	471898842	ADLITUNBDUNKKN-RTWAWAEBSA-N	422.912	5.368	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)c1ccc(C#N)cc1	474238276	LIFQTIFFJPJKSR-HNNXBMFYSA-N	401.432	5.227	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccccn1)c1ccccc1OC	475551723	YMOROEAWGTUAFR-RUZDIDTESA-N	415.537	5.853	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(SCc2ccccc2)ns1	476479415	ALVAVYHHPPINOK-UHFFFAOYSA-N	423.567	5.146	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C3)cs1	476602583	LHQXGALGKOEAPH-QGZVFWFLSA-N	407.564	5.152	30	20	HKED	
C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481592871	DZUFKWIXAYWYBJ-INIZCTEOSA-N	421.447	5.640	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccs3)C3CC3)cc2F)c1	481658809	NGZBGANANWYOQN-UHFFFAOYSA-N	421.497	5.534	30	20	HKED	
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	486807251	GCVWPXZHBZKTCD-NRFANRHFSA-N	401.466	5.159	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1	487208496	JHJNTEJNJGCYJA-HXUWFJFHSA-N	409.942	5.557	30	20	HKED	
Cc1ccc(OCCC(=O)N[C@H](CCCC#N)c2ccccc2)c(Br)c1	487239218	IYSMQNZHBZGMIL-LJQANCHMSA-N	415.331	5.078	30	20	HKED	
Cc1c(C(=O)N[C@@H](CCCC#N)c2ccccc2)oc2ccc(Br)cc12	487620246	SSEDJRJGYBRUKI-SFHVURJKSA-N	411.299	5.669	30	20	HKED	
COc1ccc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1OCCCC#N	494100997	RBZTZPVBUFTYAW-JWGURIENSA-N	415.449	5.270	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSCc1ccc(C#N)cc1	500755843	RUGXVKFUDJTCMK-UHFFFAOYSA-N	413.502	5.403	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nn1-c1ccccc1	501428404	VZBNCBAJVYMWLL-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cccc(F)c3C2)cc1Cl	503641931	ISBLIVUTCSSDBP-FQEVSTJZSA-N	419.887	5.725	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCC(C)C	505246892	IJPVFSQSILEFNI-QGZVFWFLSA-N	409.530	5.414	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	505449170	KZZQFKANJFCEAP-OAHLLOKOSA-N	402.306	5.671	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccco1	505808602	IOLVJBXIZZRWKT-OAQYLSRUSA-N	415.493	5.133	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccnc1)C(C)C	506781921	RIJNMAAPTYLJIE-UHFFFAOYSA-N	414.509	5.283	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1	509203379	PMMZFAUXUDHWQJ-UHFFFAOYSA-N	415.468	5.002	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccccc1SC	510278019	BHBIEUMXARAKQV-UHFFFAOYSA-N	401.532	5.196	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	512844617	NZICKLDXBCTTOR-WSQGFLFRSA-N	416.521	5.319	30	20	HKED	
CC(C)N(Cc1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	513982593	FWZFGSSAHFTYNU-NRFANRHFSA-N	423.969	6.499	30	20	HKED	
Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cnn1-c1cccc(Cl)c1	515689484	ZCVZSVSNYFAZRB-UHFFFAOYSA-N	418.909	5.687	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518151354	QEJBEHREFXHLNI-AWEZNQCLSA-N	408.445	5.426	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCc2ccccn2)cc1Cl	520514558	OEKRVCHIQDMNEQ-FQEVSTJZSA-N	407.926	5.262	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	523132225	SYHCRIAMAHDFFF-SFHVURJKSA-N	416.452	5.128	30	20	HKED	
CC[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1c(C)noc1C	524460475	KYCBNEVXMNLWDL-LJQANCHMSA-N	407.445	5.014	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1	531391296	OSABFAFAAVURDZ-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	540722504	FDGFSTXYQIICAP-QHCPKHFHSA-N	415.924	5.542	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1cccc(Cl)c1C#N	543031644	NCJUMZJSEADZPU-OAHLLOKOSA-N	410.930	5.134	30	20	HKED	
CCCc1c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cnn1C1CCCC1	543117127	DLCDEHKMARPKLY-UHFFFAOYSA-N	405.527	5.198	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc(OCC2CC2)c(Cl)c1	543142510	GSBXLRKGWCVWOG-CYBMUJFWSA-N	401.919	5.170	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	544451968	KQABOILGLYNLNJ-DOTOQJQBSA-N	404.539	5.154	30	20	HKED	
Cc1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C2CC2)n1	546666413	UHZYVCZHFYCJFX-UHFFFAOYSA-N	404.857	5.232	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc3ccc(C#N)cc3c2C)c1C	550994487	PYOMOGYJURVJPU-UHFFFAOYSA-N	411.490	5.008	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	557515879	ISSSBVIPFMDGKW-UHFFFAOYSA-N	400.482	5.154	30	20	HKED	
COc1ccc(Cl)cc1NCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	557698332	GKBSXALJDZAFBL-UHFFFAOYSA-N	407.857	5.063	30	20	HKED	
COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	562169903	WWABSQMIVCKJOO-BBTUJRGHSA-N	423.582	5.952	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1Br	566396907	RDLVMUZYZGAWGE-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COc1cccc([C@H](N[C@H]2CCc3ccc(C#N)cc32)c2cc(F)ccc2OC)c1	567524624	YHLNNRCRZSWOKB-ZCYQVOJMSA-N	402.469	5.081	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1	568544991	VTWLZQJQMYUKDX-HXUWFJFHSA-N	423.513	5.172	30	20	HKED	
COC(=O)c1c(CN[C@@H](C)c2ccc(C#N)cc2)nc2ccccc2c1-c1ccccc1	570109358	OPTVMEOVHBPYDR-SFHVURJKSA-N	421.500	5.411	30	20	HKED	
CC(C)(CCC#N)CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1	571816048	YMEUGIMHKSWQKF-UHFFFAOYSA-N	407.942	5.326	30	20	HKED	
Cc1c(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)sc2ccc(C#N)cc12	577048837	JWBBMZVOAOYNAZ-UHFFFAOYSA-N	408.376	5.414	30	20	HKED	
COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)C2	578561444	FASDGCSZSLMKNO-MRXNPFEDSA-N	407.539	5.169	30	20	HKED	
C[C@H](OCCCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1	582092578	XTJZLRSXMHVHDU-SFHVURJKSA-N	416.481	5.035	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	609376931	MADRQYAATDLKLL-KRWDZBQOSA-N	415.518	5.443	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	609428146	ARDWELCHQVHCAG-ROUUACIJSA-N	417.534	5.868	30	20	HKED	
C[C@@H]1CCCN(Cc2ccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2)C1	611096126	PACMCAWLRGOMPL-CQSZACIVSA-N	402.325	5.349	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1C	613407197	LADRDVZJGVCOKG-OAHLLOKOSA-N	406.898	5.242	30	20	HKED	
C[C@@H](c1ccccc1F)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	616089782	GAMDNFDVYWFAPR-WUHRBBMRSA-N	414.365	5.438	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(Br)cc(C(=O)N2CCCC2)c1	619203109	BOZKHNXGHKPTEY-OAQYLSRUSA-N	424.342	5.046	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642399445	RHFYXWGYDDYDNU-UWVGGRQHSA-N	422.291	5.736	30	20	HKED	
CC[C@@H](NC(=O)c1c(C(F)(F)F)nn(CC)c1C(F)F)c1ccc(F)cc1F	676178337	ZNNUELOXEHBZOL-LLVKDONJSA-N	411.321	5.019	30	20	HKED	
CCc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	676954783	ZNLDZWJEUIKOLN-GHMZBOCLSA-N	400.338	5.419	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	680491054	WIXWOVYWASGDAY-YUMQZZPRSA-N	424.719	5.872	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2O)c2ccc(F)cc2)cc1Cl	726445025	TUQBMPNZMJXSKT-UHFFFAOYSA-N	411.889	5.460	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(Oc3ccc(C)cc3OC)c(F)c2)c1	726478920	SENXWKKSXIZMOI-UHFFFAOYSA-N	406.482	5.725	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c1	727330495	MSRHJMRWNQRMIH-UHFFFAOYSA-N	413.880	5.240	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cccc(O[C@@H](C)C(=O)O)c1	728441730	OXPLNKZZAVCOTF-VNDWYCCKSA-N	411.454	5.006	30	20	HKED	
COC(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	728464093	HGBAVICAVUPUHN-HXUWFJFHSA-N	419.868	5.426	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCCC1	731124649	JLHOUBRANSWWOY-JOCHJYFZSA-N	421.566	5.069	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OC	733231115	YEHAMNWGMZIEPP-JOCHJYFZSA-N	420.553	5.203	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1nccn1Cc1ccccc1	734095793	UHGIBTAMTJFQPB-QXMHVHEDSA-N	403.482	5.399	30	20	HKED	
Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(N4CCC(O)CC4)cc3)s2)cc1	734235086	JBJQWQYDWPWVMH-ZRDIBKRKSA-N	403.547	5.581	30	20	HKED	
CC[C@H](CNC(=O)c1ccccc1SCC#N)Cc1cccc(Br)c1	736256377	CGXXSSNMQDTHMF-HNNXBMFYSA-N	417.372	5.063	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	739155771	VNGATYIDBNDYPY-YWZLYKJASA-N	424.422	5.700	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CNC1(c2ccc(Cl)cc2)CCCCC1	739850135	FSQPGFFUVICMRF-UHFFFAOYSA-N	405.933	5.185	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)cc1	740806995	DZSWPOUXTLZVGG-UHFFFAOYSA-N	414.836	5.078	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2cc(C#N)ccc2F)c(Cl)c1	741053005	LSQDZWTUCAKTCG-UHFFFAOYSA-N	404.825	5.055	30	20	HKED	
CSc1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1F	741848263	XCRONZJRAKEJQX-QPJJXVBHSA-N	424.497	5.006	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C(\C)c2ccccc2C(F)(F)F)c1	741933129	AZJHMFQBXNXJGT-GSPCDJLXSA-N	402.416	5.106	30	20	HKED	
COc1ccc(OCc2nc(C=NOCc3ccc(C(F)(F)F)cc3)cs2)cc1	746575395	CFHOPTOBCNUAAV-UHFFFAOYSA-N	422.428	5.300	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)nc3Cl)c2C#N)C1	747625711	BRJFJWFFXAPNKA-JTQLQIEISA-N	408.354	5.725	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OC3CCCCC3)CC2)cc1	747976337	WAYRQTVGBRWASL-VWLOTQADSA-N	417.553	5.688	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)c3ccc(OC)cc3)n2)cc1	750690118	BVZCEWIBCRKGFC-MGPUTAFESA-N	406.507	5.197	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccnc(Cl)c1	757931624	REMQPQVTZOXZPA-RMKNXTFCSA-N	405.860	5.301	30	20	HKED	
CC(C)(C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1cccc(C(F)(F)F)c1	764303079	MCVLCFKAURWKOW-UHFFFAOYSA-N	411.767	5.055	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N	770414853	HRJSPNWOQLWDDQ-UHFFFAOYSA-N	409.555	5.505	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1	774025222	ZXQMDAULJGXHKW-SFHVURJKSA-N	423.822	5.534	30	20	HKED	
Cc1ccc(-n2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c(-c3ccccc3)n2)cc1	780161254	ULKFJMMUMLPGBI-IBGZPJMESA-N	422.488	5.391	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780578669	JVRJYGRDROAIAD-SFHVURJKSA-N	401.466	5.509	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	781446983	HRHDJXCXCIAESL-WFASDCNBSA-N	414.914	5.022	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCO1	781762549	FMJJBSZFBVECGO-ZTQAJYAQSA-N	402.947	5.481	30	20	HKED	
Sc1nnc(CSc2ccccc2)n1N=Cc1cc(-c2ccccc2)cs1	782245481	OCTPAIYSWXHRJT-UHFFFAOYSA-N	408.577	5.470	30	20	HKED	
Cc1sccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	786928150	BRXKDHODPPTPQV-CQSZACIVSA-N	407.347	5.906	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)[C@H](C#N)c2nccc3ccccc23)cc1	792100107	KBOCBBIBDZPFHE-QFIPXVFZSA-N	400.478	5.253	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2ccc(C(C)(C)C#N)cc2)C1	793512719	MXHIBRQMUMLPHS-UHFFFAOYSA-N	419.525	5.033	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(N(C)c3ccccc3)nc2)S1	797787618	WWIQVUUTEGFNEY-XSFVSMFZSA-N	414.534	5.358	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1C#N	799353712	FUNOZMPOMLCUKS-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
CC(=NNc1ccc(C#N)cc1C(F)(F)F)c1sc(-c2cccnc2)nc1C	799491668	IECPFYJADHKPKX-UHFFFAOYSA-N	401.417	5.240	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1c[nH]c2ccc(Br)cc12	811696636	GFBCXTGONXREGS-ALCCZGGFSA-N	410.296	5.345	30	20	HKED	
Cn1cc(/C=C\C(=O)c2ccc(-c3ccccc3Br)s2)c(C(F)F)n1	812241585	KFXRFKSNFBDLLF-SREVYHEPSA-N	423.282	5.745	30	20	HKED	
N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1	813212912	HLTYUZFRGFJXFB-CYBMUJFWSA-N	404.335	5.088	30	20	HKED	
C=CCn1c(-c2ccc(C)cc2)nn(CN2CC(C)(C)[C@@H]2c2ccncc2)c1=S	814227740	LBLDYTVURYECGS-FQEVSTJZSA-N	405.571	5.011	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	817318744	HISFRVPAHNLHQL-OAQYLSRUSA-N	407.514	5.127	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C)n1	915100738	CSMUWHSDBMJYFZ-KRWDZBQOSA-N	418.547	5.121	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccc(Cl)cc2)cc1	915351432	BRWDFMPIUWUUSI-JOCHJYFZSA-N	405.885	5.196	30	20	HKED	
COCCN(Cc1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353121	QXJXRAQDJCOBEJ-JOCHJYFZSA-N	405.523	5.084	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1O	916157311	GULOQSNIYYYDPQ-YHYXMXQVSA-N	408.425	5.024	30	20	HKED	
COc1cc(Br)c(C=NNc2nc(-c3ccccc3)cs2)cc1OC	916545270	DUKQWJJDRXPUHN-UHFFFAOYSA-N	418.316	5.036	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2cc(Cl)ccc2o1	916903944	YFISHWMZKINMDS-CYBMUJFWSA-N	417.248	5.018	30	20	HKED	
COc1ccc(/C=C\C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917045597	YJYYGSKLRVBAAK-UVCVVPOWSA-N	402.397	5.213	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)CC(C)C)cc12	917363500	OECPJKQVXQJISC-UHFFFAOYSA-N	414.962	5.120	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cs1	917560060	GIDXCAKHGNOPOS-RAXLEYEMSA-N	415.518	5.822	30	20	HKED	
COc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC	919864499	RHTHLXVLXQQNHB-ZSOIEALJSA-N	400.434	5.020	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1	1785801439	JDXRZSXHPCJSGQ-KRWDZBQOSA-N	418.528	5.548	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4)CCC3)cc2)c1	1792125083	RLNJCWJCFNDJQO-IBGZPJMESA-N	423.516	5.375	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	65724904	QPYMXPJGRNSTTO-UHFFFAOYSA-N	402.306	5.261	30	20	HKED	
C=CCN(C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1nc(-c2ccccc2)cs1	106196765	ODGAALHNHPKXTJ-OXJNMPFZSA-N	417.534	5.237	30	20	HKED	
C=CCn1c(S[C@H]2CCCc3ccccc32)nnc1[C@@H]1COc2ccccc2O1	117204706	PXCMICCYHQLPBS-SFTDATJTSA-N	405.523	5.146	30	20	HKED	
Cc1nc2ccccc2cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	195640048	AQVHANJEVDQGSN-UHFFFAOYSA-N	407.473	5.441	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccccc1F	215715933	YHVYYGRKZPTWSM-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)c(C)c1	303168491	QTDJXRVMZOJYIC-QGZVFWFLSA-N	420.534	6.182	30	20	HKED	
CC(C)N(CCCC1(C#N)CCOCC1)Cc1ccc(-c2ccccc2F)s1	410342217	FFGCUZGMYFLBBK-UHFFFAOYSA-N	400.563	5.865	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1C	428773050	OVBPLHSJLFVKJW-UHFFFAOYSA-N	407.558	6.014	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)nc12	429580749	WAGQCGMRKGWQPF-CQSZACIVSA-N	424.432	5.086	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)sc2ccc(C#N)cc12	429818775	IEFKGAZPPXJKTI-UHFFFAOYSA-N	417.534	5.206	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F	432575922	AUKQWNUBRCVNMG-SFHVURJKSA-N	422.447	5.292	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1ccc(-c2nc3ccc(OCC)cc3s2)cc1	432740188	VSIFFLBUWCSXAP-UHFFFAOYSA-N	406.511	5.296	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1	433288720	RWRBFOKCFDEQFA-QGZVFWFLSA-N	406.711	5.659	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1F	438646045	FHWZJNLKGLAHGQ-NRFANRHFSA-N	401.441	5.859	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)Cc1nnc(-c2ccc(C#N)cc2)o1	441274714	HCVVTAJFYNMTPV-UHFFFAOYSA-N	400.404	5.038	30	20	HKED	
N#Cc1cnc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(Cl)c1	444431765	HEVAHROXOQTFQH-ZDUSSCGKSA-N	421.728	5.049	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)cc1C#N	460114722	WPNMCVFASRZGAR-UHFFFAOYSA-N	409.342	5.507	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	464479756	XOHQXWIZMUVLPZ-LJQANCHMSA-N	421.378	5.563	30	20	HKED	
CC(C)(C)[C@H](C#N)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	464714442	UPBBVZUMBRFFCY-MZQAJMAWSA-N	424.429	5.163	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ncccc1OCCCC#N	466594306	ZKOUVTPAFBFWSH-AWEZNQCLSA-N	406.408	5.008	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)o1	466852299	NNXZVVNICHPZDN-QHCPKHFHSA-N	416.477	5.262	30	20	HKED	
Cc1coc(-c2cccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)n1	467988574	OMTUQEXRLYRHMW-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1	472912892	DNJGXKYAJHITST-UHFFFAOYSA-N	419.460	5.069	30	20	HKED	
O=C(COc1ccc(F)cc1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474277370	SEGUOVLLSZHQLW-HNNXBMFYSA-N	409.301	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1	475567769	YFWGOMJDXKOOAE-HXUWFJFHSA-N	407.558	5.338	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1	475589025	JKPDBYRNENMSQE-HXUWFJFHSA-N	415.468	5.033	30	20	HKED	
CC(C)(C#N)CCCSc1nnc(COc2ccccc2F)n1-c1ccccc1	475957404	KOYUHQICPJWKRH-UHFFFAOYSA-N	410.518	5.407	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N(C2CC2)C2(C#N)CCC2)c2cnn(C(C)C)c2n1	477389632	BKMMGIYJBDWHEG-UHFFFAOYSA-N	413.525	5.039	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1	477555095	BWFBTOGRBZCQER-INIZCTEOSA-N	408.468	5.332	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483209248	WVFUCKQFHYZVCD-GFCCVEGCSA-N	423.259	5.390	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1	483329848	GHAALFSVKDZOGS-ZDUSSCGKSA-N	420.365	5.978	30	20	HKED	
C[C@@H](NC(=O)CSc1nc(C(F)(F)F)ccc1C#N)c1ccc2ccccc2c1	488805060	WXHCBMWUZISKCQ-CYBMUJFWSA-N	415.440	5.095	30	20	HKED	
CCn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1-c1ccccc1	495193340	MMUGTKRVPXXRDP-LJQANCHMSA-N	412.518	5.492	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)c1C	499730946	JMTOZTUFIKACCV-JPYJTQIMSA-N	422.573	5.455	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2C)c1	500751898	DIUKFZZHCKBBBR-UHFFFAOYSA-N	422.488	5.714	30	20	HKED	
COc1cccc(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	501436419	OCGASFFIJYUDNP-UHFFFAOYSA-N	418.518	5.071	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(OCc2ccccn2)cc1	502049555	IPACRBIJWAPJFS-SFHVURJKSA-N	417.534	5.094	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1	503241825	CORSSRYJJPNYFI-DEOSSOPVSA-N	405.929	5.491	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CCC2	504655683	SNOOCBIOIDAMDY-BMRADRMJSA-N	401.897	5.361	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N(CCc2cccc(F)c2)C2CC2)c1	505206107	YXBXZOQRVIRPNO-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
CC(C)N(Cc1ccco1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	509953875	IQBVOPQVABOMAO-UHFFFAOYSA-N	423.900	5.826	30	20	HKED	
Cc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	514174041	JELDKTYKMGHOKU-CTNGQTDRSA-N	407.583	5.035	30	20	HKED	
Cc1ccc(-n2c(SCc3ccc(C#N)cc3F)nnc2-c2ccccn2)c(C)c1	515483662	FDGNWGLWIUTPND-UHFFFAOYSA-N	415.497	5.249	30	20	HKED	
N#C[C@H](C(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nc2cc(Cl)ccc2s1	515540013	AWCXXOUSVQYMOY-MRXNPFEDSA-N	418.909	5.114	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	517474245	WZQMHEGJXIXMNO-QRWLVFNGSA-N	401.963	6.111	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	518243697	ZVDOBELSLDJUNG-INIZCTEOSA-N	403.551	6.083	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1Cl)OCCCO2	519911032	LEBTZDLUFMFGKN-UHFFFAOYSA-N	413.905	5.063	30	20	HKED	
CCN(CCc1cccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	520179043	LNIRFGRJFULWKK-UHFFFAOYSA-N	419.550	5.490	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	520624308	ZSRBEEGQOQCAJR-OSPHWJPCSA-N	417.484	5.050	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1	521184970	SGYOLEBNYLTVFO-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
C=CCN(C(=O)C[C@@H](C)c1ccc(C(C)C)cc1)c1nc(C(=O)OCC)cs1	523104260	FHOSZEVEGREKPU-MRXNPFEDSA-N	400.544	5.156	30	20	HKED	
COC(=O)[C@@H](Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1	524012781	LPHFNRLAFWVTRL-QHCPKHFHSA-N	420.896	5.311	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1csc2ccccc12	532471475	LGRCXQRLJSFGDX-MRXNPFEDSA-N	409.580	5.366	30	20	HKED	
N#CC1(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CCSCC1	533754156	IJWDQZJSNMOJLC-UHFFFAOYSA-N	404.866	5.093	30	20	HKED	
Cc1cc([C@H](NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)ccc1F	537225135	RLBHEHGVQHMWNU-IQMFZBJNSA-N	411.546	5.065	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1-c1cccc(Cl)c1	538631937	TYRLGUZESDMXBP-NHCUHLMSSA-N	419.916	5.138	30	20	HKED	
CCC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	542952425	XCPPSJNEBJZZNS-QGZVFWFLSA-N	412.493	5.456	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	543994460	ODVBTQRUWGYHPX-AGKSTNPPSA-N	418.921	5.447	30	20	HKED	
CC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl	544016389	DELUQOSNZPRVTG-UHFFFAOYSA-N	406.894	5.818	30	20	HKED	
C[C@]12CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@H]1C2(F)F	557301567	WVABZJODDWFWEM-QUCCMNQESA-N	402.828	5.121	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2ccc(O)nc12	577021748	LPKHQAYAUOVSNM-UHFFFAOYSA-N	417.412	5.217	30	20	HKED	
CC(C)(c1noc(C[C@H](CC#N)c2ccccc2)n1)c1ccccc1Br	577667066	ZGHPSDIWIVXYRY-INIZCTEOSA-N	410.315	5.398	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1ccc(C2(C#N)CC2)cc1	578915527	WQVFCNILDXODSB-UHFFFAOYSA-N	416.502	5.318	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1	589741636	MFLWTOSESGTJTG-UHFFFAOYSA-N	405.498	5.393	30	20	HKED	
N#CCc1ccc(C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1	590007525	YYQBXDKUMDHEGL-HSZRJFAPSA-N	404.897	5.094	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	590208818	BZMZVUIXESTOSN-INIZCTEOSA-N	406.536	5.135	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2C2CC2)cc1Cl	603569332	JBFOHMKSVJLVSY-UHFFFAOYSA-N	418.928	5.765	30	20	HKED	
CCCCCc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1	603648594	JCIUENZDDRNEOG-UHFFFAOYSA-N	404.558	5.031	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(COc2ccc(F)cc2)o1	603967998	GBUOTEPKRZJYEG-UHFFFAOYSA-N	418.449	5.850	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	603993450	VZVSYOLWGKDPEC-LJQANCHMSA-N	423.516	5.492	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cn2)c1	604088020	GXVDVNRJDOJCKC-OAQYLSRUSA-N	416.456	5.124	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1nc2ccccc2s1	607274194	FVUWFGQNHRUMPM-LJQANCHMSA-N	423.472	6.141	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1c1cccc(F)c1F	607464612	XOAWYMVRMZFWAN-MMUTTWDGSA-N	415.324	5.094	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)o1	608777902	PGLBXBZBHPALEM-UHFFFAOYSA-N	419.481	5.046	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCCc3cccs3)cc2Cl)c1	609080951	XLHXBQRBGWIMHC-UHFFFAOYSA-N	411.914	5.216	30	20	HKED	
N#CCn1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc2ccccc21	609167404	SWBPIHSNUJRZDE-OAQYLSRUSA-N	405.910	5.399	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)sc1-c1ccc(F)cc1	609377220	RJZHABFSWIADSG-AWEZNQCLSA-N	410.539	6.367	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1	609386045	YHYMOFOOEKQQPX-UHFFFAOYSA-N	403.507	5.535	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	609521617	LBAZMUUQRKIRFU-VQTJNVASSA-N	421.610	5.220	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)n1	609646299	DHFNRSKIVJBBRC-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
COc1ccc(Br)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	609991041	VVGCENPHECLQON-UHFFFAOYSA-N	422.282	5.325	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c(F)c2)cc1	610053742	MFFLUKFCCLIZNX-UHFFFAOYSA-N	424.479	5.728	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCc3sccc3C2)cc1F	610334699	SIBBWAILRDTKKI-UHFFFAOYSA-N	407.470	5.531	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1c(F)c(F)cc(F)c1F	610624331	KPFCZJVTFVCRBI-UHFFFAOYSA-N	416.399	5.196	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC4(CC3)OCc3ccccc34)c2)cc1	610742262	BJWUOIVVGATXCQ-UHFFFAOYSA-N	410.473	5.012	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)c1	611355633	FRZCWTWQGWZSJO-MSOLQXFVSA-N	424.928	5.283	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4Cl)[nH]n3)n2)cc1	613318259	TUMBSWZAOVYQFV-INIZCTEOSA-N	418.909	5.652	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1Cl	619789300	LQAZPTFRPHANQZ-UHFFFAOYSA-N	410.905	5.052	30	20	HKED	
CC(C)Oc1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Cl	678325239	VJHJVWYDEMURLU-GFCCVEGCSA-N	406.294	5.275	30	20	HKED	
Cc1ccccc1N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)c2ccccc2C1=O	726742310	OGURADHIMBZSRI-MOHJPFBDSA-N	422.484	5.405	30	20	HKED	
C#CC[C@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1	727772580	BLEVVBXHNCRURJ-SFHVURJKSA-N	417.317	5.362	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccccc1Cl	728299593	SXWZVWHNJXQLEB-HNNXBMFYSA-N	423.875	5.369	30	20	HKED	
N#CCn1c(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc2ccccc21	729648895	JKGLMUMIUZROIQ-UHFFFAOYSA-N	414.462	5.342	30	20	HKED	
Cc1nc(CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)oc1-c1ccccc1	730399058	QLGLLIOYJMWANZ-MRXNPFEDSA-N	420.419	5.204	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(-c2ccccc2)cs1	730688518	XXRYZAVWDYBPRN-HNNXBMFYSA-N	423.950	5.882	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CCc2ccccc2)CC1	731031631	XSARSEHYRPBGIU-FQEVSTJZSA-N	421.610	5.364	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1	733771548	OIKJBHRKIVIHNM-GOSISDBHSA-N	422.431	5.368	30	20	HKED	
CCCN(C(=O)NCc1cccc(O[C@@H](C#N)CC)c1)[C@H](C)c1ccccc1OC	733804302	BNSQBTZSPSYQRD-UYAOXDASSA-N	409.530	5.059	30	20	HKED	
C#CCN(C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C)C1CCCCC1	733850115	CZOVCVWHICMCSW-KRWDZBQOSA-N	411.571	5.166	30	20	HKED	
N#Cc1ccccc1NC(=S)NCCCCSc1ccccc1Br	734381316	OXUUQRCULTYQTD-UHFFFAOYSA-N	420.401	5.180	30	20	HKED	
Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)c3sccc3C#N)c2)cc1	741116716	UZWPVKXXYUIIHT-MRXNPFEDSA-N	404.491	5.027	30	20	HKED	
CCCCOc1ccc(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc1OC	741842827	CKCKCZCMVVNIMR-XYOKQWHBSA-N	415.493	5.136	30	20	HKED	
CCc1cccc2c(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)c[nH]c12	744807280	TUXWEOGKGSUKDE-UHFFFAOYSA-N	419.554	5.195	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc([N+](=O)[O-])cc1	745723591	CKLUCJGMCMIPPQ-UHFFFAOYSA-N	420.469	5.318	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2cccc(OC(F)F)c2)cc1)Nc1ccccc1	747063123	BKUXYSPBNSHCPB-ZROIWOOFSA-N	423.415	5.202	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)NCc2ccc(C#N)cc2)c(C(F)(F)F)c1	749002278	FVPWTPXPWMCVRR-ZDUSSCGKSA-N	407.461	5.789	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)ccc1OC	749450788	BVFKTTBUKZDELR-QPLYDRNXSA-N	420.509	5.081	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cc1	757818244	JJCRNYWKMBMSFG-BJKOFHAPSA-N	423.516	5.910	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C(F)F	758409059	HANIKILBHHFHLP-IBGZPJMESA-N	408.452	5.384	30	20	HKED	
COC1CCC(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1	758988611	OYSNQRGWWLGQFZ-UHFFFAOYSA-N	412.917	5.324	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccc(F)cc2OCC#N)s1	761665602	SFBIYVDXPUIFQL-UHFFFAOYSA-N	423.513	5.375	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cs2)cc1	762312552	LUEPNDHVFYZYBG-JOCHJYFZSA-N	417.534	5.019	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1	765796965	AZIWLAIQHNKOGX-NRFANRHFSA-N	402.523	5.037	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cnc(Cl)s1	768139989	ZVMHKPQKACASPA-UHFFFAOYSA-N	413.355	5.099	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN(C)[C@H]2CCSc3ccc(Br)cc32)cc1	769329748	MPSAESIXJCGIIF-KUHUBIRLSA-N	417.372	5.409	30	20	HKED	
N#C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl	772658708	KASGFCTXBKLFBT-GJZGRUSLSA-N	418.107	5.105	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1	780306529	YKVSKHHTQYHOET-QFIPXVFZSA-N	423.447	5.311	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1	780671394	WYTLICFKTVWVBX-GJZGRUSLSA-N	405.420	5.312	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)CC1	780779538	KOLJKOIUJGENQK-UHFFFAOYSA-N	405.501	5.821	30	20	HKED	
N#Cc1ccc([C@H](O)C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1	780932493	AZFXJZFAWHVQKY-SANMLTNESA-N	404.469	5.564	30	20	HKED	
Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1[N+](=O)[O-]	782487494	JKZVWCUBYAHXFT-HNNXBMFYSA-N	403.413	5.072	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCC(=O)c3ccccc3)n2)cc1	783360819	ILXGJASMPDHVTC-FQEVSTJZSA-N	413.502	5.301	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1	786105161	NMTLXRRCKCFDIO-ZDUSSCGKSA-N	410.380	5.087	30	20	HKED	
CC(C)c1ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	787054082	RVJAVXLQWRACSB-UGSOOPFHSA-N	403.309	5.317	30	20	HKED	
C#CCC1(C(=O)OCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)CCCCC1	788214225	VKZYBGFTGHMRLP-UHFFFAOYSA-N	424.566	5.407	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1NCc1ccccc1Cl)c1cnc2ccccc2n1	792110600	SJXBMPYDAJDHQD-GOSISDBHSA-N	412.880	5.385	30	20	HKED	
N#CC1(CCCOC(=O)[C@H](Sc2ccccc2F)c2ccccc2)CCOCC1	800164034	WUILCNDDJBJTNK-OAQYLSRUSA-N	413.514	5.303	30	20	HKED	
N#CC1(CCCOC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CCOCC1	800217578	GIARRPMHHUWRFZ-OAQYLSRUSA-N	413.514	5.303	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1nccnc1C1CCC1	807992387	IPKNTASJVPOLFT-UHFFFAOYSA-N	408.937	5.212	30	20	HKED	
Cc1c(NC(=O)c2sc3ccc(C#N)cc3c2C)cnc(Cl)c1Br	816102784	XMXRNTFVOATHJS-UHFFFAOYSA-N	420.719	5.453	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(C(C)(C)C)cc1	916903230	LUHNWWZGYGMAOX-ANCZKMTESA-N	402.538	5.470	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccccc1OC	916931292	PBYHLBWHILPYNL-VKNLVWNJSA-N	416.477	5.145	30	20	HKED	
CCOc1ccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046669	MCVJWWMZGURSCV-QGZVFWFLSA-N	414.914	5.384	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1O	918712155	HQXLBJUCIROSAN-CLFYSBASSA-N	405.397	5.439	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	920267378	GYXSFCQHOYNIOK-FQEVSTJZSA-N	417.534	5.243	30	20	HKED	
CCCCOc1ccc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCC	920750173	WSPCPKGBYNTKBH-SDQBBNPISA-N	409.482	5.117	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1	1786103649	RPMIKXOHDDVASO-UHFFFAOYSA-N	412.917	5.449	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828343379	FNZWCYVFKMNDDQ-GOTSBHOMSA-N	414.634	5.345	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(Cl)cc2)c1	8320624	PSOZKPGMAHWVSZ-UHFFFAOYSA-O	416.353	5.640	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccccc1F	9543346	CQEWMYMNHHILSB-UHFFFAOYSA-N	403.482	5.398	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)cc2C)cc1	22729549	NBEOIXWIXAAXDO-UHFFFAOYSA-O	423.627	5.964	30	20	HKED	
COc1ccc(CSc2nnc(SCc3cn4ccccc4c3C#N)s2)cc1	25166053	XRPFNCFGTSZXFT-UHFFFAOYSA-N	424.576	5.256	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc(C#N)cc1	26129774	LVZAWOBRHPWVIY-MRXNPFEDSA-N	413.502	5.483	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F	56586472	MYPHVJCFTVRPAR-UHFFFAOYSA-N	409.383	5.023	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cnn(Cc2ccccc2)c1	72012239	IQMDCILAJBRAIQ-UHFFFAOYSA-N	410.502	5.207	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1S[C@H](C)CC#N	78720036	YSKFJYYVBIXSEM-KGLIPLIRSA-N	408.445	5.506	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](c2ccccc2)c2ccncc2)c1	237840282	ZWUDSJIECYQNMB-HHHXNRCGSA-N	405.501	5.411	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc32)cc1	303349160	NDYGQVILDJQDHN-QGZVFWFLSA-N	412.518	5.672	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1	303411642	UYXZHYCMIMCRKI-HNNXBMFYSA-N	421.488	5.170	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1cccc(Cl)c1	303416550	WRMWRUGBGOABFA-JKSUJKDBSA-N	401.963	5.223	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1	303750598	AFLPJIUBOPHGIC-QZTJIDSGSA-N	412.892	5.036	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	409945596	GBCYDUBWQSJBPH-HNNXBMFYSA-N	417.336	5.114	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1	410107123	VLXLHHKONAUSSV-UHFFFAOYSA-N	422.447	5.422	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(CCC#N)Cc1ccco1	426082737	ARAPMWZYKHUKNE-UHFFFAOYSA-N	407.445	5.254	30	20	HKED	
COc1cc(CS[C@H](C)c2cnc(C)cn2)ccc1OCc1cccc(C#N)c1	427840867	XGJBFAUAXBNZDN-QGZVFWFLSA-N	405.523	5.239	30	20	HKED	
O=C(CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)N1CCC(C(F)(F)F)(C(F)(F)F)C1	428069571	KKXKKMSAMMZBOF-HGWMRPEMSA-N	401.366	5.028	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1	430907638	SACWZAYBNDHSQO-UHFFFAOYSA-N	421.909	5.460	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1	431714076	XQECYJRMQCFZIA-FQEVSTJZSA-N	408.502	5.430	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](c1ccccc1)c1ncc[nH]1	433141770	BIBTXCKAFRLDLI-OXQOHEQNSA-N	405.527	5.057	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCCC(C)(C)[C@@H]1C#N	434031187	MANBZBMEJNMRLL-INIZCTEOSA-N	415.946	5.117	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	436351150	ISMVUZSJPXVXOP-PLQHRBFRSA-N	405.445	5.033	30	20	HKED	
Fc1cccc2[nH]c(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cc12	436416752	VZDVOUKNQYCOLT-KRWDZBQOSA-N	404.329	6.109	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1F	437463672	AGRDXLZAGJDJLG-UHFFFAOYSA-N	416.387	5.067	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cc1	437843744	SXFJUXANJOYAHF-WZONZLPQSA-N	421.516	5.255	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H](CSc2ccccc2)C1	438044863	OHWUVTUXYKNBPN-OAQYLSRUSA-N	413.546	5.128	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2cccnc2)cc1	438053748	VBFWOAUGQWACER-QGZVFWFLSA-N	402.523	5.465	30	20	HKED	
COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	438220694	CVUHUAONFIZXLE-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(C(F)(F)F)cc1Cl	439121158	XONKKJQIBIJIJT-UHFFFAOYSA-N	405.763	5.162	30	20	HKED	
CSCCCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	439509559	DTIGJDRTEWLAEE-UHFFFAOYSA-N	403.935	5.007	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	439524006	YDVKESAURVGKFS-QGENPCKLSA-N	419.525	5.144	30	20	HKED	
C[C@H](Nc1ccc(CC(F)(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	439598040	SEIWFHOHGABUEV-ZDUSSCGKSA-N	421.488	5.433	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12	440390404	RTWAPYUCXSZJQM-GJZUVCINSA-N	409.489	5.287	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1N[C@@H](c1ccccc1)c1ccccn1	440666944	IBDPIROBKTZMCZ-NRFANRHFSA-N	415.294	5.465	30	20	HKED	
C=CCn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1cccs1	443429355	QXPZJWKAFOKUCA-UHFFFAOYSA-N	416.478	5.418	30	20	HKED	
CC[C@H](N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccc(C#N)cc1	447531594	QHYWUNHYPOUDBH-ZCYQVOJMSA-N	404.485	5.545	30	20	HKED	
N#CCCCC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12	461776488	PAOXBVWXGNQFMS-QHCPKHFHSA-N	407.517	5.777	30	20	HKED	
C=CC[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1)c1ccccc1	466613881	LDYUWEVALBUDJO-LJQANCHMSA-N	417.534	5.302	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1	467334339	GUIKUBGIDMPLDZ-DNVCBOLYSA-N	415.946	5.197	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3ncoc3-c3ccccc3)cc2)cc1	467611898	WDSKLVHETCOZOY-UHFFFAOYSA-N	409.445	5.130	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)c1occc1COc1cccc(C#N)c1	470226328	MWMNRIVCWXTEND-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1	472361735	UHHFNYVABUGQCD-CQSZACIVSA-N	407.606	5.660	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1	475763582	YXAIKZVUINWOCM-UHFFFAOYSA-N	415.493	6.156	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1N1CCCCC1	477538858	FMJQCIAFYUUIDV-SFHVURJKSA-N	408.571	5.393	30	20	HKED	
CC[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1	477885728	XZLGYGWZDNTFHB-HXUWFJFHSA-N	415.896	5.055	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	480936878	FACMPBQYXACZSL-KRWDZBQOSA-N	407.351	5.254	30	20	HKED	
CCOc1cc2c(cc1NC(=O)c1cccc(Oc3ccc(C#N)cc3)c1)O[C@H](C)C2	481945925	OKEQZBPDSRZYET-MRXNPFEDSA-N	414.461	5.325	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1	483441738	SMGGTFLVQVKEKZ-JOCHJYFZSA-N	401.466	5.133	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(OC4CCCCC4)CC3)c2)cc1	483527915	ROTQGAHEGYXCMU-UHFFFAOYSA-N	404.510	5.304	30	20	HKED	
CCc1c(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cnn1C(CC)CC	484290980	FGDOHIQJSZLNKF-UHFFFAOYSA-N	423.439	5.263	30	20	HKED	
C=CC[C@@H](C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1)c1ccccc1	487764032	SINARSIIOWWXLG-QGZVFWFLSA-N	409.486	5.206	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	497896262	DXVIVBKLRAZZHR-HXOBKFHXSA-N	419.912	5.012	30	20	HKED	
C=CCc1ccc(OCC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c(OC)c1	498990404	KNWLPESEQIXOLR-HNNXBMFYSA-N	407.432	5.041	30	20	HKED	
Cc1sc2nc([C@H](C)Sc3ccc(C#N)c(C(F)(F)F)c3)nc(O)c2c1C	499492064	QVMMZHCSEKFZKV-JTQLQIEISA-N	409.458	5.758	30	20	HKED	
COc1cc(CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)ccc1OC(F)F	503525460	FUPFBAJFRGQMKV-UHFFFAOYSA-N	421.831	5.018	30	20	HKED	
C=CCn1c(SCCCc2nc(-c3ccccc3)no2)nnc1-c1ccccc1F	503753166	WNWGMCTYPWDVIB-UHFFFAOYSA-N	421.501	5.045	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	505315122	VBSZRUJUZVPSGW-YADARESESA-N	414.505	5.149	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449434	ONMGZMZGISQTPZ-CQSZACIVSA-N	406.269	5.502	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccccc1C(F)(F)F	507131244	FQLLPCQFBCXBGL-AWEZNQCLSA-N	424.513	5.829	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)ccc21	507810014	YHYSXDGKZKUCQH-UHFFFAOYSA-N	414.481	5.355	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2cccc(C)c2)C1	508939000	PHHHPQMIPSVNEV-HXUWFJFHSA-N	420.582	5.067	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2CCC(F)(F)CC2)cc1	508981561	OLSBPEPJLOMABK-UHFFFAOYSA-N	415.459	5.235	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3C3CCCCC3)c2)cc1	509912746	PWMSYRANPMQKGF-RUZDIDTESA-N	417.553	5.908	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3nc4c(Cl)cccc4n3CC(F)(F)F)cc2)CC1	511560262	NJTVVKZKRLGCFC-UHFFFAOYSA-N	418.806	5.059	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1	512531844	XJEIVQNEQYSELT-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)cc3)n2)cc1	516270233	QSGHXESLEMJXOT-INIZCTEOSA-N	413.296	5.071	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cc1	517368869	WHQSPMJOJQVABA-UHFFFAOYSA-N	408.473	5.053	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC4(CCC4(F)F)C3)cc2Cl)cc1	519793260	PRWNBNDNIXBDAC-UHFFFAOYSA-N	403.816	5.267	30	20	HKED	
COCc1c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)sc2cccc(F)c12	520889514	KMMWZEZPULFPID-GOSISDBHSA-N	410.514	5.479	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1	521087177	RLRXYHOBXHOBKY-UHFFFAOYSA-N	419.506	5.060	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1	521823711	JGXURSCCLOSDFN-UHFFFAOYSA-N	404.539	5.296	30	20	HKED	
N#C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1cccc(C(F)(F)F)c1	521886343	SVCMXRVSHQDTFW-LJQANCHMSA-N	408.379	5.528	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C(F)F)[nH]c4c3)n2)cc1	522103179	HRMNTTOKVSNMFV-AWEZNQCLSA-N	408.433	5.423	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2oc3c(ccc4ccccc43)c2C)c1C	523529939	VHGXKXXGASYJPD-UHFFFAOYSA-N	420.472	5.821	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccn1)C(C)C	524289534	LFYHNATXUGPXSS-UHFFFAOYSA-N	414.509	5.283	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccco1)c1ccccc1	533507997	KPCPSBBSNWBAMB-SFHVURJKSA-N	405.523	5.319	30	20	HKED	
C=C[C@H](CC(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC)c1ccccc1	533961080	KYALFWFGKZNCBL-LJQANCHMSA-N	406.526	5.010	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)sc1Br	536186649	GRHDYBHEUUZRRS-JTQLQIEISA-N	411.346	5.023	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1	538232146	QVFJYXLUGALJRN-OALUTQOASA-N	405.567	5.064	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(OCc2cccnc2)cc1	539450344	YBIHBPRUCGTLOD-KYDWWNIQSA-N	411.549	5.715	30	20	HKED	
COC(=O)c1ccc(F)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	540464461	LQZWYYRYGAQKBX-UHFFFAOYSA-N	420.465	5.029	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1C1CC1	542960091	MGISIDSRFPSRES-ZDUSSCGKSA-N	423.908	5.086	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCCCO1	543084139	IYBQUDNPLKRSPR-NEPJUHHUSA-N	423.275	5.013	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	553325713	GNQDAISYLUBZAV-RXVVDRJESA-N	421.972	5.223	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C	557609768	NZPZSRBTMYJVHI-UHFFFAOYSA-N	418.463	5.193	30	20	HKED	
N#Cc1cccnc1OC1CCC(NCc2cnc(-c3ccc(Cl)cc3)s2)CC1	574657904	JTWKOFCZQSOQJO-UHFFFAOYSA-N	424.957	5.210	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(F)c2ccccc12	579157524	YZYYANHLKJYAHS-IAGOWNOFSA-N	421.541	5.520	30	20	HKED	
N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1)c1ccccc1	580579414	CMOJOMPZVNDOIU-JOCHJYFZSA-N	417.896	5.107	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1[C@H]1CCCO1	584021695	FZDGSOKUFADJII-CEMLEFRQSA-N	423.944	5.417	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1	590336315	HUYCUINFBKMPDU-UHFFFAOYSA-N	410.289	5.194	30	20	HKED	
CC(C)(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1csc(-c2c(F)cccc2F)n1	590353519	LEFOXDSNUVNROS-GOSISDBHSA-N	423.488	5.041	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1cccc(C#Cc2ccccn2)c1	601183927	SPUKTWJUKPYFMO-UHFFFAOYSA-N	424.529	5.235	30	20	HKED	
CCN(C(=O)c1sc(-c2ccc(OC)cc2)nc1C)[C@@H](C)c1ccc(C#N)cc1	603528781	WHWUXFFQHLCNTP-INIZCTEOSA-N	405.523	5.222	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603765164	QGXFDZRDAVGIBL-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc1OCCCC#N	604512438	PBBNWNKKQUNGIA-KRWDZBQOSA-N	421.566	5.661	30	20	HKED	
CC(C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1F	609105866	ZCYAGMVKCQHZLE-UHFFFAOYSA-N	406.432	5.332	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)s1	609147643	ZMMRTAQQGXGFGN-UHFFFAOYSA-N	406.511	5.558	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)NCc2ccc(C#N)cc2F)c2cccs2)cc1	609252979	MAWIFYNFRDIQLJ-JOCHJYFZSA-N	407.514	5.471	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2	609377552	HXMXHVOREFMUQP-CQSZACIVSA-N	406.532	5.812	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(C(C)(C)C)n1	609389456	QQBSOCHJZIKPDB-AWEZNQCLSA-N	419.641	5.564	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCSCc1ccccc1F	609435458	PFBWUYRJFQQLFD-OAHLLOKOSA-N	403.548	5.275	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3-c3cccs3)c2)c1	609641247	FRZFDYSCZVUTCP-UHFFFAOYSA-N	410.498	6.118	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cnc3ccccc3c2)c1	609731036	PAWRQFIPWRMWCV-UHFFFAOYSA-N	413.864	5.482	30	20	HKED	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	610324213	UIHHCXHNJQRPOP-QFIPXVFZSA-N	415.449	5.004	30	20	HKED	
COc1ccc(-c2cncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)cc1	610706139	VKQRHADKOIKKSB-UHFFFAOYSA-N	422.444	5.068	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4ccsc4)CC3)cn2)c1	614423988	PJSYONOODIDVNL-UHFFFAOYSA-N	404.495	5.219	30	20	HKED	
O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCN(CC(F)(F)F)c2ccccc21	622408044	HWOHAPIEDDUKHX-UHFFFAOYSA-N	424.291	5.013	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cccc(OCCC(=O)O)c1	728442237	ZKXGHLDNCQCNRJ-MDZDMXLPSA-N	411.454	5.007	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)c3ccccc3OC)n2)cc1	728769328	FHUJLQLPFDUOGS-KXBFYZLASA-N	406.507	5.197	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCCCOCc3ccccc3)c2)cc1	729571253	RZOYAKHVCSQSKZ-UHFFFAOYSA-N	401.466	5.079	30	20	HKED	
Cc1cccc(-c2nn(Cc3ccccc3)cc2CNCc2ccc(OCC#N)cc2)c1	729685276	CMPOXBRLUXICQV-UHFFFAOYSA-N	422.532	5.099	30	20	HKED	
C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccccc1NC(=O)c1ccccc1	729895222	OAWLPKGQLZPYGA-SFHVURJKSA-N	423.472	5.335	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1C	730168312	IYIQCEFWGVVEJE-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cccc(Cl)c2Cl)nc(-c2ccccn2)n1	733081278	SXWGZJSEBPHKDV-UHFFFAOYSA-N	412.202	5.310	30	20	HKED	
CC(C)(C)c1ccc(CCCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	734081136	DXVGCUKDVMDAKM-NRFANRHFSA-N	417.578	6.092	30	20	HKED	
N#C[C@H](C(=O)CC/C=C/c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1	739144200	POSPTFFCLPHUMN-SBLNNXNXSA-N	400.450	5.142	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccc(-c3ccccc3)cc2)c1C	739668179	ABSHUSHTBCPVSK-UHFFFAOYSA-N	422.488	5.045	30	20	HKED	
C#Cc1ccc(C(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)cn1	741965571	QFYVXESGXPGMBV-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2c(C)cccc2F)cc1	743135042	JRIBRJUMYZIAOB-UHFFFAOYSA-N	405.429	5.128	30	20	HKED	
CCCOc1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c(OCCC)c1	745626925	VSLCRXIGCBWTNR-PKNBQFBNSA-N	409.482	5.117	30	20	HKED	
CN(Cc1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1)C(=O)OC(C)(C)C	748610303	JQAJDKVYHSFZTM-OAQYLSRUSA-N	422.529	5.220	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)Sc3ccnc4cc(Cl)ccc34)[nH]c12	750713770	SMFKTHKOWUUGPO-CZUORRHYSA-N	420.925	5.430	30	20	HKED	
N#C[C@@H](COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1ccccc1	750781821	CQWSJUMFNLDTJI-HNNXBMFYSA-N	416.424	5.368	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(C)o2)cc(Br)c1OC(F)F	750906936	STSPIFHTCBYCOE-WAYWQWQTSA-N	401.203	5.247	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccccc2Cl)cc1	752185720	PGHLLKXZWSYTFM-FQEVSTJZSA-N	405.885	5.196	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1OC(F)F	753228651	NTHCUZFSSMFQPJ-PLFFATQSSA-N	402.466	5.724	30	20	HKED	
C[C@H](OC(=O)COc1ccc(C#N)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753322535	WFNGMTWAEZEIRK-LBPRGKRZSA-N	417.248	5.203	30	20	HKED	
C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCO1	760006578	HURFGCLVZJESOL-AOYPEHQESA-N	411.505	5.122	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(-c4cccnc4)nc4ccccc34)CC2)cc1	767972281	JJROYOXFPOMLNM-UHFFFAOYSA-N	416.484	5.098	30	20	HKED	
C#CCCOc1ccc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1	770577173	SGDDGECETLUKTH-LJAQVGFWSA-N	403.547	5.150	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3cc(SC(F)F)ccc32)c1	775412103	ZOEHGRWKWUMPTK-DYESRHJHSA-N	402.510	5.849	30	20	HKED	
Cn1c([C@@H](NCc2cc(Cl)ccc2OCC#N)c2ccccc2)nc2ccccc21	775762421	QNEYUCZFYMGURL-QHCPKHFHSA-N	416.912	5.008	30	20	HKED	
CC[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)cc1Cl	777116810	IHQLHGARKHYPBK-FQEVSTJZSA-N	404.341	5.389	30	20	HKED	
CCOc1ccc(C(=O)N2CCCCC2)cc1N[C@H]1CCCc2cc(C#N)ccc21	777705631	UDTQQNNEJCGAQH-QFIPXVFZSA-N	403.526	5.073	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Br)c(F)cc1Cl	780588450	HKBSLEAHGUTYQY-SECBINFHSA-N	412.646	5.176	30	20	HKED	
CC1(C#N)CCN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1	780779525	JQGBNYSCCDFLKT-UHFFFAOYSA-N	401.482	5.511	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3cc(Br)cs3)c(Cl)nc21	782370453	UXRKVMQIANDVQV-ARJAWSKDSA-N	410.724	5.386	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCC(=O)c3ccccc3)n2)cc1	783360827	ISJRUZLUKKQKED-FQEVSTJZSA-N	418.518	5.438	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccc(Cl)cc2)s1)c1cc(Br)ncc1F	789146746	CDBHLPQFIHUSDX-WAYWQWQTSA-N	423.694	5.656	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	789359210	WWCCGXUHMFLPJY-LJQANCHMSA-N	419.472	5.031	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=Cc3ncccc3C(F)(F)F)nn2)c1	794980460	BVEOIWIOGKBGNR-UHFFFAOYSA-N	411.309	5.022	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1	796818355	TUUKMNPVVGHAOV-GHTZIAJQSA-N	404.432	5.507	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)s1	797567045	XSKNBLSEEVTGBM-AWEZNQCLSA-N	418.444	5.135	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(C#N)ccc1NC1CC1	803316558	WJCIJIZCQHNCQC-UHFFFAOYSA-N	406.486	5.040	30	20	HKED	
N#Cc1c(F)cccc1/C=C(\Cl)c1nnc(C(=O)Nc2ccc(Cl)cc2)s1	811689318	YYWDPIYHOCKJAG-ZSOIEALJSA-N	419.268	5.191	30	20	HKED	
N#CCOc1ccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	814295851	HYXNFVIUDLKDCS-APSNUPSMSA-N	421.330	5.302	30	20	HKED	
C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1Cl	820847198	UQRQAXFZXOHXEW-QMMMGPOBSA-N	400.725	5.763	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)CCc1nc(-c2ccco2)no1	821253373	SETFWXYFKSUUCY-UHFFFAOYSA-N	424.526	5.039	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccc(OC)c(OC)c2)no1	904284695	LZARECKOIUXQQJ-UHFFFAOYSA-N	406.360	5.004	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2cnn(C(C)C)c2n1	915088083	ZEZDFXADQYQWFA-QFIPXVFZSA-N	409.493	5.228	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1F	915353937	ZUGSFQDTJNLMOO-IERDGZPVSA-N	403.457	5.372	30	20	HKED	
CCOc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	916627954	FTWQRUSCZOXMJT-LJQANCHMSA-N	420.534	5.553	30	20	HKED	
Cc1cccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)c(Cl)c12	916885184	OZGWQKPXXFXNET-ZDUSSCGKSA-N	403.290	5.478	30	20	HKED	
CCOc1ccccc1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976143	LLOOUCSQVGLILR-GOSISDBHSA-N	410.926	5.671	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976903	WMBIETHORFVYIC-WFASDCNBSA-N	417.317	5.761	30	20	HKED	
CC(C)c1cccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920142876	XBPSWXSYJSENBY-HRAATJIYSA-N	415.518	5.449	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C)CCC2)cc1	1785841896	CAIGUFJVYOGJIN-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3C3CC3)CCC2)cc1	1791584465	CZSMDFGTDKBTFO-UHFFFAOYSA-N	400.522	5.115	30	20	HKED	
C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCc1ccccc1	1804260027	KASIJGUPKUCOLL-BKFWDETESA-N	410.602	5.174	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C)n[nH]1	1820472475	BYYPEPQBPNBWIO-FQEVSTJZSA-N	408.546	5.016	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1	1824243983	YRCFQIUFUDBZBB-GVXSCFBNSA-N	424.629	5.258	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826529233	DYHRVEJHJWPDMM-LJAHQNNKSA-N	420.597	5.088	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2cccc(O)c2)c(C)s1	10168264	CYYRSBTVGWMNOQ-UHFFFAOYSA-O	411.572	5.026	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(F)cc3)no2)nnc1-c1ccccc1OC	32326417	ROLKYYQXBZSGHZ-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	64456630	NEUAEHJPCDIXRJ-UHFFFAOYSA-N	411.697	5.994	30	20	HKED	
CCn1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc2ccccc21	64715429	BAHDQLYKYPLZBS-CQSZACIVSA-N	407.445	5.553	30	20	HKED	
CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1	71858145	AUIOBGZNDDMLOK-UHFFFAOYSA-N	421.522	5.294	30	20	HKED	
N/C(=N/OCc1coc(-c2cccc(Cl)c2)n1)c1cccnc1Oc1ccccc1	109844961	NTEJMLVIAXRKHP-UHFFFAOYSA-N	420.856	5.019	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccc(Cl)s2)cc1	195707107	QQWGCNVUJQPUFE-ZRDIBKRKSA-N	408.910	5.698	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Br)cc1	252630498	VAVSVSHDXLMRMK-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
N/C(CC(=O)Nc1ccccc1Cl)=N/OCc1sc2ccccc2c1Cl	302875757	LJUIBTKKUMGBES-UHFFFAOYSA-N	408.310	5.026	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c(C)n1Cc1ccccc1	303357544	GOKCAAQNKZWALO-HXUWFJFHSA-N	412.320	5.455	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN(C(C)C)[C@@H](C)c2ccccc2)n(Cc2ccco2)c1C	428861946	LWCUSWOCXLJWGY-FQEVSTJZSA-N	418.541	5.028	30	20	HKED	
CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430590914	DSAKFVUGJLQVNR-GFCCVEGCSA-N	411.449	5.132	30	20	HKED	
N#Cc1cc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)ccc1F	431014169	LVSSKAMNSOULEU-UHFFFAOYSA-N	401.466	5.197	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1	432869301	VKQXCNSTWQAMAB-OALUTQOASA-N	408.571	5.119	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccccc1	432958405	CWTSAQWNYKFUPM-QHCPKHFHSA-N	407.514	5.049	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCc2sccc21	433754126	RBWALZUNGKCPMO-CQSZACIVSA-N	410.486	5.831	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	433784850	YTKLLOMHMXHQCE-UHFFFAOYSA-N	420.416	5.370	30	20	HKED	
CCC(=O)c1ccc(O)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	436647978	SEMAKWJCZKYHTD-UHFFFAOYSA-N	400.434	5.096	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	437616429	SIJGWZBJLVCRSH-JTHBVZDNSA-N	422.488	5.798	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl	438062647	NVCMWENNOMLAIU-XHDPSFHLSA-N	422.337	5.500	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cc(F)c(Br)cc2Cl)C2CC2)cc1	439618046	NDUCTKKXBSOCMC-UHFFFAOYSA-N	422.685	5.310	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccccc2SC)ccc1OCc1cccc(C#N)c1	440613310	OGYMZKWUZBBMMV-SFHVURJKSA-N	418.562	5.719	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1	441117055	CYIIMGLPCGIGOX-ZIAGYGMSSA-N	423.460	5.720	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	445052690	HLISIICSRGORJG-NSHDSACASA-N	407.927	5.095	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1C#N	445565902	NFQFANNGNYWBSO-UHFFFAOYSA-N	418.453	5.117	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C	446856466	NZELMQWPBZWFKU-HXUWFJFHSA-N	403.448	5.482	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1	448390248	QNXQQUZXYGFBQO-UHFFFAOYSA-N	413.974	5.930	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1SCCC#N)c1ccc(F)c(Br)c1	462051554	GPYJTNWHECPWSX-CYBMUJFWSA-N	421.335	5.726	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCC[C@@]12CCCCO2	468138952	UOIGWBQNEQJUHK-FPOVZHCZSA-N	400.931	5.136	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccsc2)O1	470586408	DDIILPZYHGUQLW-OPAMFIHVSA-N	419.506	5.406	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cc1	470936145	YZNXPLFGCNPGPV-FQEVSTJZSA-N	418.456	5.220	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(-c2ccc(Cl)cc2)s1	471086351	NEHUQWXQPZVKSM-KXBFYZLASA-N	419.937	5.500	30	20	HKED	
C[C@H](NC(=O)NCc1ccc2ncccc2c1)c1ccc(-c2cccc(C#N)c2)cc1	472118910	YSWCUCBDVZHLTO-SFHVURJKSA-N	406.489	5.334	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C/C=C/c2ccc(F)cc2)cc1	474301272	GZMIDFIMVOGBDJ-ONEGZZNKSA-N	400.453	5.513	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1ccccc1	475764254	ZLANTIHFLGPOEI-QGZVFWFLSA-N	418.884	5.013	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccccc1	477101980	PQLJRMNIIGPUBH-UYAOXDASSA-N	402.523	5.032	30	20	HKED	
CC(C)c1csc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	478203025	FLKMFUKGVXHZSA-GOSISDBHSA-N	424.957	5.897	30	20	HKED	
N#CC1(NC(=O)CC2CCC(c3ccccc3)CC2)CCN(Cc2ccccc2)CC1	479288002	WYUHKNOLVSYEOP-UHFFFAOYSA-N	415.581	5.025	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	479964153	NFFOCGJXLDPBMC-QRWLVFNGSA-N	420.538	5.512	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)Cc3cccc(C#N)c3)o2)cc1	482556838	AAUOCSPBWPVFTR-UHFFFAOYSA-N	407.473	5.461	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc2ncsc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	485827353	FUELAFITEUJWOR-ZIAGYGMSSA-N	424.595	5.176	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCCc1cccc(F)c1	486126580	OBVQNPNIOAXHRJ-INIZCTEOSA-N	402.560	5.382	30	20	HKED	
C=CC[C@@H](C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1	487549626	OCMHKWRMWBMSFI-MRXNPFEDSA-N	405.325	5.140	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccncc3)n2C2CCCCC2)cc1	488904861	ZZAIVJQSZOHEAT-OAQYLSRUSA-N	403.555	5.381	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C(C)C	499144642	RRKMAMVDISSSEH-UHFFFAOYSA-N	422.558	5.225	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C#N)c1ccccc1Cl	499969873	RELLVJILCROZPF-INIZCTEOSA-N	402.306	5.420	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	501118073	PMMWCRDQHAADBJ-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c(F)c(F)cc(F)c1F	505408362	KSZXSWSKFDIJKE-ZDUSSCGKSA-N	419.218	5.295	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4sc(N(C)C)nc4s3)n2)cc1	505439331	GHZVVUZHTSUGOE-ZDUSSCGKSA-N	424.576	5.346	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1	505685732	FYGHTDXEBGPMPV-ZWKOTPCHSA-N	418.415	5.666	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](C#N)c1ccccc1Cl	505708332	YRJRJKFYHOHPSG-IBGZPJMESA-N	403.894	5.358	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(OCc2ccccc2)nc1	508988563	SSDSLCUGNQNQCP-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(Cl)ccc4o3)n2)cc1	512508742	JOUPEJKGYVBRLF-INIZCTEOSA-N	408.866	5.708	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1	512536233	HACKQRGNPQNIAC-UHFFFAOYSA-N	420.344	5.399	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)c1ccccc1Cl	516592344	QDXBOGTWRPWKLH-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccc(Cl)c(Cl)c1	517605210	LCRCVEIPAIKSIQ-KRWDZBQOSA-N	405.672	5.032	30	20	HKED	
CCSc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	518363205	YGFNHIBHKLHUOZ-MRXNPFEDSA-N	403.507	5.349	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1	518756135	AXZUCLWYOUTESO-UHFFFAOYSA-N	410.502	5.493	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2ccc(Cl)c(C#N)n2)C3)cc1	520988815	BWWKFWCBVFSYPX-UHFFFAOYSA-N	417.900	5.122	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Oc1ccncc1	523798106	CMGPFQZDLQTKGQ-QGZVFWFLSA-N	419.893	5.936	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1	524382367	ZKOXTXGMVMIORG-UHFFFAOYSA-N	413.449	5.081	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1	524648467	XMELCJLSUPFGGH-UHFFFAOYSA-N	415.276	5.935	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1cccc2ccccc12	538140695	AAZQCJZVRDCMCO-ROUUACIJSA-N	403.551	5.523	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	539224957	INKCVDKVHFDGSB-ZWKOTPCHSA-N	411.571	5.015	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1Cl	543472851	MQRBGCAHLOXELV-UHFFFAOYSA-N	404.297	5.036	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc2n1	545449178	NCJNFQCBLKXHQD-OAHLLOKOSA-N	405.429	5.435	30	20	HKED	
Cc1cc(C2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CC2)n[nH]1	546856741	DPOXIPGFNWNLNN-UHFFFAOYSA-N	420.900	5.055	30	20	HKED	
O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	554900890	IQUCWVLKWWYGLD-KGLIPLIRSA-N	412.349	5.035	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2nc3c(s2)CSCC3)cc1	557521446	PCNRZOWNXLZCSK-UHFFFAOYSA-N	409.561	5.208	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(Br)c3Cl)CC2)cc1	558843157	HHAOZZGZVXUIRF-UHFFFAOYSA-N	416.706	5.295	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(-c2ncoc2C)no1	569670997	KYCXLLDVNPCTHV-UHFFFAOYSA-N	421.482	5.038	30	20	HKED	
C[C@H](NCc1cc(F)c(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F	572193478	AKRHRDKIMXPDDO-VIFPVBQESA-N	405.317	5.579	30	20	HKED	
N#CC[C@H](Cc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1)c1ccccc1	578124461	FICIATMGTVHPLM-HXUWFJFHSA-N	423.476	5.621	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)CCCCCC#N	588158821	QGQLNLKDHPLDRK-ZDUSSCGKSA-N	420.376	5.532	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1	590468446	AMPXUUDUJXKFMW-UHFFFAOYSA-N	403.916	5.160	30	20	HKED	
N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c(C(F)(F)F)c1	602758181	JGIBSXHCBGXJHQ-OAQYLSRUSA-N	407.395	5.344	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3sc(-c4ccccc4)cc3C#N)o2)cc1	603969057	YFGMTLHGONYNHS-UHFFFAOYSA-N	413.502	5.822	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1	609081103	GKBWUNUBCHYMBO-ZDUSSCGKSA-N	409.845	5.172	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1	609182667	VUHXENHZAWQMMY-QHCPKHFHSA-N	412.965	5.047	30	20	HKED	
C[C@H](NC(=O)CCCSc1ccc(Br)cc1)c1ccc(C#N)cc1	609371368	WHRZBPORZQDYAG-AWEZNQCLSA-N	403.345	5.070	30	20	HKED	
Cc1cc(C)cc(OCCSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	609388260	ZJXNJOSIXGIOMI-SFHVURJKSA-N	414.596	5.448	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(OC(F)F)cc1	609389387	NEHBZBBJONEMED-CQSZACIVSA-N	422.522	5.412	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1	609427796	MEMRBPJFJNRMIY-ZDUSSCGKSA-N	413.593	5.756	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2)cc1	609504396	NOCORWNRWXVSCU-QFIPXVFZSA-N	424.422	5.968	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1	609556005	RBJIQKUWJFJLKB-UHFFFAOYSA-N	408.505	5.043	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)c1cccs1	609753744	UOMNOVJCSVQKNU-QFIPXVFZSA-N	401.535	5.301	30	20	HKED	
CC(C)Oc1cccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	611124962	OFEKGHQQROOWSU-UHFFFAOYSA-N	416.481	5.197	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc(CSc2ccccn2)c1	618752498	BLDYTACFGOKDHB-OAQYLSRUSA-N	400.507	5.055	30	20	HKED	
C[C@H](c1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1)C(F)(F)F	622477675	HBONLAMPLWHXDK-BZNIZROVSA-N	407.329	5.915	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c12	679536847	VHVSCQIZWAKRJJ-QGZVFWFLSA-N	422.444	5.644	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)N[C@H](C)c1ccc(Cl)cc1Cl	726482842	LJPXNFHNKUHNOG-CYBMUJFWSA-N	424.353	5.525	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ccccc1-n1cncn1	727655305	VGBIWKOJRJBCAA-FLIBITNWSA-N	406.898	5.249	30	20	HKED	
CCCCc1oc2ccccc2c1CN(C)C(=O)NCc1ccc(OCC#N)cc1	727941728	AVNYXTQHQVMCKE-UHFFFAOYSA-N	405.498	5.019	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)cc1	729189041	VDGVDBPSVRZDDY-JXFKEZNVSA-N	403.457	5.091	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNc1ccc(F)cn1	731317967	GUDULAAPTJNAJN-UHFFFAOYSA-N	412.683	5.180	30	20	HKED	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	734081553	MVLJGNZVDBQGPW-DNVCBOLYSA-N	405.523	5.146	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(Cl)c1	735508028	RRYSAGMBQIDTGP-QFIPXVFZSA-N	424.859	5.256	30	20	HKED	
Cc1cc(-c2csc(NC(=O)[C@H](C)C#N)n2)c(C)n1-c1cccc(C(F)(F)F)c1	736666993	KNMGETWNMWZVBY-LLVKDONJSA-N	418.444	5.335	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN(Cc1ccc(Cl)c(Cl)c1)C(C)C	739835930	FZKMMOIOVZDUBX-UHFFFAOYSA-N	414.340	5.300	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1C#N	740684946	WKLYMLBIAZBBRF-UHFFFAOYSA-N	408.848	5.551	30	20	HKED	
O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1c(Cl)nc2sccn12	741845319	VFCRSNZKMDKTJM-XQRVVYSFSA-N	415.883	5.582	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1	741934240	QUXOVRQGPOXXJD-IBGZPJMESA-N	424.422	5.382	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1	743641725	MBDFSLWJNJXHJE-IBGZPJMESA-N	416.496	5.407	30	20	HKED	
Cc1ccc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)cc1NC(=O)OC(C)(C)C	744074241	KHJRYJNUPAFTLD-QGZVFWFLSA-N	412.461	5.020	30	20	HKED	
C[C@@]12CC[C@H]3[C@H](CC=C4C[C@@H](OC(=O)c5ccc(C#N)nc5)CC[C@@]43C)[C@@H]1CCC2=O	744333900	LKCITHBIYBYNDN-SPAKIZDMSA-N	418.537	5.011	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746436188	FFNBEKMLTROHCQ-MEDUHNTESA-N	417.305	5.191	30	20	HKED	
N#Cc1ccccc1CN(C(=S)Nc1ccc(OC(F)F)cc1)C1CCCC1	747707172	UQCPJKMQFOXRET-UHFFFAOYSA-N	401.482	5.301	30	20	HKED	
CC[C@@H](C(=O)N1CCC(/N=C/c2cc(Cl)cc(Cl)c2O)CC1)c1ccccc1	749103755	AOWGLUSUJAKMNS-RUDKWAFVSA-N	419.352	5.303	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cs1)C1CC1	754689522	HWPKMMQQMMFTNQ-CLTKARDFSA-N	414.836	5.227	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC(CC(F)(F)F)C1	760081319	ZFPINUWFZCNVQN-UPHRSURJSA-N	405.260	5.148	30	20	HKED	
Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cn(CCCC#N)c4ccccc34)o2)c1	769547797	XUYQOWXMRLMDKG-KRWDZBQOSA-N	414.465	5.222	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCSc3ccc(Br)cc32)c1	772983908	NEELZANDMARCQU-QFBILLFUSA-N	417.372	5.457	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)Cc1csc(-c2ccc(Cl)s2)n1	774318161	CXJWDRLYNUDLMC-CYBMUJFWSA-N	424.881	5.024	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2cc(Oc3ccccc3)ccn2)cc1	774570056	PZWLHIQIDSEBEH-UHFFFAOYSA-N	402.450	5.136	30	20	HKED	
CCC(CC)C(=O)N1CCC(=NOCc2nc(-c3c(F)cccc3F)cs2)CC1	774756008	JLNXHPFDAJQBAL-UHFFFAOYSA-N	421.513	5.020	30	20	HKED	
CC(C)[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F	778542598	JCZCDLPJRHSWAN-KRWDZBQOSA-N	424.806	5.051	30	20	HKED	
C=CCC[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1	778613821	JNALSQZPMZRNES-RTWAWAEBSA-N	402.519	5.745	30	20	HKED	
C#CCCCCCC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	779925433	HUULVRHEQSVCAC-DEOSSOPVSA-N	423.601	5.285	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)c1	792695267	NBZHHDYEYHXTEQ-GOSISDBHSA-N	419.308	5.054	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1nc(-c2c(F)cccc2F)cs1	796907239	ZSWNOFLMFAAFCY-GARJFASQSA-N	400.372	5.243	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cc1C#N	799653154	PFNDXSZWCFZQGJ-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1	799942872	PLCPIYLRTSRUBC-HNNXBMFYSA-N	411.859	5.128	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNc2ccc(Br)c(C(F)(F)F)n2)c1	804457795	CXOZVRIMMGBYKR-LBPRGKRZSA-N	414.225	5.156	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC1	809089931	VUFHNBXSWHJOIP-BETUJISGSA-N	406.269	5.062	30	20	HKED	
O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccc(C(F)(F)F)cn1	809126953	YYXIRFUTEMMWMR-LBPRGKRZSA-N	417.227	5.580	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1	810154406	WPPJNULJIDDGPQ-UHFFFAOYSA-N	405.420	5.214	30	20	HKED	
CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1	814271765	OZYKABVDWBLRAE-QGOAFFKASA-N	413.955	5.096	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	915990459	LHUXSTZYFORMKO-TWGQIWQCSA-N	411.797	5.031	30	20	HKED	
Cn1c([C@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCCC2)nc2ccccc21	916844788	BWPJWTIVTYYLKT-QGZVFWFLSA-N	422.326	5.024	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1=O	916846104	HWMPONNEZAZAEN-LZLYRXPVSA-N	417.534	5.039	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(F)cc(Br)c2)cc1	916950658	VLFHKJLHTWDTFJ-XIKOKIGWSA-N	417.278	5.063	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3COc4ccc(Cl)cc4C3)n2)cc1	916972579	OLDACHDNNMAZCB-SJLPKXTDSA-N	408.910	5.200	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCC1)c1nc2cc(C(F)(F)F)ccc2s1	917042269	ABMZNHMVJHIABM-OAHLLOKOSA-N	418.415	5.752	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(F)ccc1F)C(=O)Nc1ccccc1Oc1ccccc1	920108576	HDNAENHTHCVSQK-IBGZPJMESA-N	420.415	5.037	30	20	HKED	
COc1cccc([C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	920112930	NIWDWQSTKKOBDH-IAQYHMDHSA-N	404.413	5.304	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)c(OC)c(C)c4)CCC3)cc2)C1	1785810228	FTOYYSLGVHQLAO-UHFFFAOYSA-N	418.537	5.026	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)CCC1	1789721484	MXCLRGCNPFNRNV-FQEVSTJZSA-N	423.944	5.251	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1	1791251898	XZBHGJKEDPTZQE-QMHKHESXSA-N	402.485	5.078	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)c(OC)c1	15081208	PBJSOBKIWMZSCR-UHFFFAOYSA-N	417.461	5.349	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	61139478	PFPQWBIQOJPOIV-UHFFFAOYSA-N	416.333	5.190	30	20	HKED	
Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1C(F)(F)F	303205089	YPQYESBQAWVLPF-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
Cc1ccc(N/C(N)=N/Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1C	303968577	AVRJIFUYQKNUOM-UHFFFAOYSA-N	409.537	5.142	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1	430603124	MUPZKAINEJSLAD-MUUNZHRXSA-N	412.580	5.136	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H](c4cccc(Cl)c4)C3)s2)cc1	432639596	ZLBYLENPLQCIOJ-SFHVURJKSA-N	422.941	5.280	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1	433677706	BOPVJLSERYWHII-UHFFFAOYSA-N	422.316	5.369	30	20	HKED	
COC(=O)c1ccc(F)c(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	434514028	NZSNWLASLSBGGG-MRXNPFEDSA-N	423.328	5.414	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(C2CC2)nn1-c1ccccc1	436158224	SPYANMNZLQVRBE-JTHBVZDNSA-N	411.509	5.053	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1Cc2ccccc2C1	438656845	RIKAKOIWCJPIBG-UHFFFAOYSA-N	401.441	5.121	30	20	HKED	
CN(C(=O)c1cccc(NCc2ccc(C#N)cc2OC(F)F)c1)c1ccccc1	439560164	HZYSBMKPCQQTFL-UHFFFAOYSA-N	407.420	5.048	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)no1	439677620	INPYNQFRVMBEFQ-FQEVSTJZSA-N	402.498	5.100	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1	440261437	TUZMOONXRTUTCM-KRWDZBQOSA-N	404.297	5.135	30	20	HKED	
N#Cc1ccc(-c2nnc(CN(Cc3ccccc3F)c3ccc(F)cc3)o2)cc1	440323264	FDTUYCKGIQDKCJ-UHFFFAOYSA-N	402.404	5.093	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(OC3COC3)cc2)cc1Cl	444327147	JIENKQFMDBEFQD-UHFFFAOYSA-N	420.852	5.034	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(c3ncc(C#N)cc3Cl)C2)n1	447690791	LLJFCHKTFVQLDK-OAHLLOKOSA-N	410.930	5.123	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	460566087	QFDSMOUJVZGZEO-QZTJIDSGSA-N	407.345	5.354	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N(Cc1cccs1)Cc1cccs1	460950979	UGHCIELUNPXBCL-GOSISDBHSA-N	400.573	5.036	30	20	HKED	
Cc1ccc(O[C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	463902477	DRJMZJNINPGZAT-LJQANCHMSA-N	416.546	5.356	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CNC(=O)Nc1ccccc1S[C@H](C)CC#N	463970096	LBSSLYMVWUVQNZ-AEFFLSMTSA-N	409.555	5.331	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc(C#N)cc1	464358226	FXANUMCUVHPLEU-IFXJQAMLSA-N	420.513	5.259	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)o1	464400048	FZUXYNIXZYPILH-UHFFFAOYSA-N	400.356	5.087	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	464938615	MGUTYHPPIBTNKC-TYCQWZJGSA-N	400.444	5.497	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1	464975442	YPESRAPQHTXXFG-UHFFFAOYSA-N	413.502	5.917	30	20	HKED	
CC1(C)CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	466707540	UIRXHQBZMWJKOG-FPOVZHCZSA-N	423.944	5.019	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccccc2CC)n1	470920947	ABZFXYSSUURTRW-UHFFFAOYSA-N	419.594	5.968	30	20	HKED	
CCC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	471395965	IHVDIQPDZFJIRJ-UHFFFAOYSA-N	405.841	5.244	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)coc12	473488285	IOPSPNISIINNMZ-CYBMUJFWSA-N	411.280	5.604	30	20	HKED	
CCOC1CC(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	473968037	QWXWHDJDRCHBGO-IOYBJCICSA-N	411.933	5.322	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccc(F)cc2)on1)c1nc(-c2ccccc2)cs1	475010178	RTJAFWFTGAWXJR-UHFFFAOYSA-N	405.454	5.437	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1	475542929	BDVQIZJIQDGQMM-SFHVURJKSA-N	407.558	5.389	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3OCC(F)(F)F)c2)cc1	482028741	ZTELGBRDSMOKJZ-UHFFFAOYSA-N	412.367	5.544	30	20	HKED	
CC(=O)c1ccc2cc(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1	482707365	SQZRXABJTUHYEB-MRXNPFEDSA-N	418.518	5.454	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1	483209578	JUYXWEIDUIDGKW-HXUWFJFHSA-N	420.497	5.284	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(F)c2ccccc12	487986080	SSTNACQQRHPGPU-UONOGXRCSA-N	407.514	5.079	30	20	HKED	
CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2Oc2ccccc2C#N)c1	489657442	ARAROTQQDUXHJT-UHFFFAOYSA-N	414.465	5.053	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](C)c1c[nH]c2ccccc12	494329569	NFELOTUJZHEXLC-MRXNPFEDSA-N	410.477	5.668	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1	500322370	CEMFLCKWTXTMRQ-UHFFFAOYSA-N	417.578	5.526	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)c1ccc(F)cc1	500766530	KGMAWKOCBALALT-UHFFFAOYSA-N	402.425	5.400	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc2c(s1)CCCC2	502550916	HAIJYUQTXXWPJH-UHFFFAOYSA-N	417.506	5.256	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)cc1	503175979	XPFNTIYMYRPYLM-YADHBBJMSA-N	408.423	5.406	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(NC(=O)c2ccncc2)cc1	507638409	SKWDLSKEXDJFHC-LAWLFLRMSA-N	424.548	5.389	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)CCSc1ncnc2sc(C)c(C)c12	509123645	GUCUWMZUTGQJSE-UHFFFAOYSA-N	415.559	5.144	30	20	HKED	
N#C[C@@H](C(=O)c1cncn1-c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	509535897	GYSFDCXSSKTOSY-KRWDZBQOSA-N	422.872	5.278	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(F)c(F)cc1Cl	511718557	ILHDGTRLSXJJKX-CYBMUJFWSA-N	415.692	5.253	30	20	HKED	
CCN(C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	511754912	KIARTGJMVJBUAJ-SFHVURJKSA-N	423.925	5.045	30	20	HKED	
Cc1ccc(CN(Cc2cccs2)C(=O)NCC(C)(C)C#N)c(Br)c1	512912607	PMTRRSXQTGNTHM-UHFFFAOYSA-N	420.376	5.081	30	20	HKED	
N#C[C@@H](C(=O)c1occ2c1CCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	513616894	IRNUWQVZJJBXDM-AWEZNQCLSA-N	403.290	5.689	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(C)cc2OCc2ccccc2)cc1OC	516130197	GVZIUTZKIBAZJL-UHFFFAOYSA-N	403.478	5.400	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)o3)n2)cc1	516270018	KKLCJVIYWPVNJE-SFHVURJKSA-N	413.433	5.571	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(-c2ccncc2)cs1	516332046	NXNWDSSTXBKAQS-INIZCTEOSA-N	415.499	5.316	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c2)cc1	517847370	PXUAPYIMZXKMBG-UHFFFAOYSA-N	415.474	5.037	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2cc(Br)ccc2o1	518739112	OENDXRYGZZMUSP-LBPRGKRZSA-N	415.312	5.842	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	518754523	PYIAXEKEZMFZRS-JTSKRJEESA-N	418.566	6.321	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)s2)c(C)c1	520164669	AOSFRRPEUCTJBF-QGZVFWFLSA-N	400.507	5.112	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1	520430266	MLSSSSCQCLJMEA-LBPRGKRZSA-N	419.250	5.341	30	20	HKED	
C=CCOc1ccccc1CNCc1ccc(OCc2cn3cccc(C)c3n2)cc1	521172838	HPAAGFFEOZOKGO-UHFFFAOYSA-N	413.521	5.076	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)ccc1OC	521826114	JOOLUNXTARDBQY-SANMLTNESA-N	421.512	5.677	30	20	HKED	
COc1ccc(N(Cc2ccco2)C(=O)CCCCOc2cccc(C#N)c2)cc1F	523505279	KAQZFUAYNSFQGY-UHFFFAOYSA-N	422.456	5.081	30	20	HKED	
Cc1noc2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c12	523957683	HOLHWTCOYLHHHC-CYBMUJFWSA-N	410.886	5.408	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CSc2nc(C)nc(C)c2C#N)on1	538658501	YRSGPSOITHPZBR-UHFFFAOYSA-N	402.479	5.074	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1F	539892821	QWBACGQNIPPRDB-UHFFFAOYSA-N	405.273	5.056	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccccc1	540378291	FCZGLKXZUTZGBF-CRAIPNDOSA-N	421.488	5.160	30	20	HKED	
Cc1cc(NC(=O)N[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)nn1CCC#N	540817094	HBACBKGKIUVNSP-QGZVFWFLSA-N	407.440	5.033	30	20	HKED	
C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543863187	NOAHVHBACDMFOT-CRICUBBOSA-N	413.496	5.035	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	546222681	ILUBIDVAZXJXTJ-AWEZNQCLSA-N	407.392	5.212	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(CCC#N)c1ccc(F)cc1	554628960	YMMXHCGQWPQCIV-UHFFFAOYSA-N	418.255	5.656	30	20	HKED	
Cc1ccc(-c2nc3c(s2)[C@H](N[C@H](CCCC#N)c2ccccc2)CCC3)cc1	556203321	KCGHZZOHCGVZKS-FGZHOGPDSA-N	401.579	6.521	30	20	HKED	
CCc1c(C)sc(NC(=O)c2nc3ccccc3cc2Br)c1C#N	573954523	LXZIUEDLIFVKPD-UHFFFAOYSA-N	400.301	5.054	30	20	HKED	
Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	579169170	MMTFPNVXSGNSSD-QFIPXVFZSA-N	412.493	5.293	30	20	HKED	
C=CCOc1cccc(CN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1	583644907	ZMUYKWZEBPSDKI-GOSISDBHSA-N	404.485	5.494	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(COCC)c1	588256602	KHKVMJFUOMZNFS-UHFFFAOYSA-N	421.310	5.345	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1	604086411	IPZKQXBZAYWYBE-HNNXBMFYSA-N	422.457	5.407	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	605943210	XXOXEYCEYNNGRC-UHFFFAOYSA-N	405.498	5.135	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1F	609164866	YTNMNNJIQWATHA-IBGZPJMESA-N	421.859	5.345	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	609427508	GCUBOGSZBPSFLX-CQSZACIVSA-N	413.930	5.113	30	20	HKED	
CSCc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)oc2ccccc12	609460629	ZVXMHWMRNTTXCE-MRXNPFEDSA-N	405.306	5.597	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1	609711873	ZFDNLUJXNMCDRU-UHFFFAOYSA-N	420.538	5.153	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)cc1	609785484	HQTYSXFMFHOADQ-UHFFFAOYSA-N	407.813	5.093	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1	610171498	MTLUAPIDTSGSND-FGZHOGPDSA-N	420.434	5.308	30	20	HKED	
Cc1ccc(Br)cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610223915	QQVBNIKAHJROCX-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C[C@@H](Nc1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl)c1cccc(C#N)c1	610340266	HIWIRLUKAQMPOW-LLVKDONJSA-N	419.699	5.237	30	20	HKED	
C[C@H](N[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccc(C#N)c1	610343852	UUPIVFHZBQSFBR-KSFYIVLOSA-N	423.438	5.608	30	20	HKED	
COc1ccc(CCN(Cc2ccccc2)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1	610408240	PFBWPJPZZUNTQG-HXUWFJFHSA-N	413.521	5.082	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2Cl)s1	610598349	QUFRIWNXINMDGJ-PKOBYXMFSA-N	407.926	5.375	30	20	HKED	
CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCCCO1	610717883	QYIOJOSHMAJGOL-HSZRJFAPSA-N	421.541	5.048	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC1(CCOCc2ccccc2)CC1	611169366	BFZSLHSAZKTQSM-GOSISDBHSA-N	409.555	5.199	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	615491804	BBDFEENOJWORGH-UHFFFAOYSA-N	413.477	5.724	30	20	HKED	
Cc1c(Br)ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1F	619140225	LXRDAPIGTVBGDV-UHFFFAOYSA-N	402.050	5.327	30	20	HKED	
CCOc1ccc([C@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OCC	726442924	AIKMRPQIXGJYIO-ZDUSSCGKSA-N	403.935	5.057	30	20	HKED	
O=C(O)CCOc1ccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1	727685458	NVWPAPGOALTELF-SSZFMOIBSA-N	423.465	5.015	30	20	HKED	
COc1cc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)cc(Cl)c1OC	727780814	UECSMIHESZUTHO-KMKOMSMNSA-N	411.654	5.081	30	20	HKED	
CCCCCCCC(=O)Nc1cc(Br)ccc1Sc1nncn1C	729355550	DCPAQHJTNRNTCV-UHFFFAOYSA-N	411.369	5.028	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccccc1O[C@@H](C)CC	729890005	WBVSTWUZIUMIRS-OQXHQPCCSA-N	418.537	5.349	30	20	HKED	
CC(C)Oc1ccc(C(=O)/C=C/c2ccc(OCc3occc3C(=O)O)cc2)cc1	730951023	IYLGWDFCHCPWAW-LFYBBSHMSA-N	406.434	5.240	30	20	HKED	
COc1cc(/C=C2/CSc3c(Cl)cccc3C2=O)cc(Br)c1O	731939687	QDUNEULHYYBEOG-YHYXMXQVSA-N	411.704	5.189	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732495901	JZHVVOHEPNVEKR-ZBFHGGJFSA-N	420.481	6.062	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC	733333358	DZPLUAJBVDNYIL-AWEZNQCLSA-N	408.285	5.005	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2c(C)cc(Br)cc2C)c1	733842871	CQKYSGKHTTVIAP-QGZVFWFLSA-N	416.319	5.069	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc2ccccc2s1	734158610	JFMNFVPTXJQNIF-KGLIPLIRSA-N	424.595	5.176	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(F)(F)F)ccc2s1	734706640	PLKIJCIWFVVPGQ-CQSZACIVSA-N	417.387	5.354	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C)cc1	739145010	ZMIORCCEEWHDJQ-BEFAXECRSA-N	416.493	5.541	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c2ccc(C(C)C)cc2)cc1Cl	739155432	QNJGSDVDBPUTAQ-DNVCBOLYSA-N	412.917	5.313	30	20	HKED	
COC(=O)[C@H](N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1)c1ccc(C#N)cc1	739993438	BZSJVCMTGOWVBJ-UQBPGWFLSA-N	414.505	5.011	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C/c1cn(-c3ccccc3)nc1-c1cccnc1)C2=O	742437504	OAYVQXQHEGCZCR-ZHZULCJRSA-N	402.457	5.018	30	20	HKED	
CC(=NNc1ccc(Br)cc1C(F)(F)F)c1ccc([S@](C)=O)cc1	746372522	QKVVRLNTTCIYGL-DEOSSOPVSA-N	419.266	5.041	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCSc2ccccc2Br)n1	747193086	DWTGRWPZWJJCKG-GFCCVEGCSA-N	409.374	5.388	30	20	HKED	
Cc1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1NC(=O)c1ccccc1F	749064437	UTABAGUGZYGOOK-INIZCTEOSA-N	402.425	5.176	30	20	HKED	
COc1ccc([C@H]2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1	750300551	CTMXGOCYZYXKSG-WIOPSUGQSA-N	411.505	5.372	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1	750688774	VZEZMHZKICTYBI-QPUJVOFHSA-N	401.702	5.159	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1Br	756865593	PIQSQSBHCPZYJK-UHFFFAOYSA-N	416.222	5.028	30	20	HKED	
N#C[C@H](C(=O)/C=C/SCc1ccco1)C(=O)Nc1ccccc1Oc1ccccc1	759833630	JQVFFFGJJOLQBT-XYDKVEKUSA-N	418.474	5.166	30	20	HKED	
N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc(-c2ccc(Cl)cc2)cs1	766258336	BPFJYOKWDCWWRT-CJWRWJRQSA-N	414.933	5.948	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	766264255	KVHZOPIJPWGJNZ-OAHLLOKOSA-N	418.440	5.478	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CC=C(c3ccccc3Cl)CC2)c1=S	768472535	WMWAIBNIIPYRJR-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
C=CC[C@H](NC(=O)N1Cc2cccc(Br)c2C[C@@H]1CC)c1ccncc1	770625322	KPKVSLYESVMWSF-PXNSSMCTSA-N	414.347	5.008	30	20	HKED	
Cc1cccc(C2=CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1	771443391	MFLSKBVFGJFEET-AREMUKBSSA-N	407.517	5.972	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)ccc1OC	772986583	PBXJJSSMXIQRTO-GBXCKJPGSA-N	421.585	5.607	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)cc1	789634694	COMJINABZJJONG-AUUYWEPGSA-N	423.362	5.004	30	20	HKED	
COc1cc(OC)cc(Oc2ccc(CNCc3ccc(O[C@@H](C)C#N)cc3)cc2)c1	790600583	DWPIRMYKUUHSFS-SFHVURJKSA-N	418.493	5.077	30	20	HKED	
COc1ccc(NN=C(C)c2sc(-c3cccnc3)nc2C)c(C(F)(F)F)c1	793099907	XXONXWZXMSIJGH-UHFFFAOYSA-N	406.433	5.377	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)C[C@H]2c2ccccc2)c1=S	795747277	JJMAFXQPOFWGAJ-NQIIRXRSSA-N	405.571	5.093	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccccc2Br)CC1)c1nc2ccccc2s1	796716426	YBWBELXNVVWZPW-AWEZNQCLSA-N	411.324	5.258	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2nc(Cl)c(C#N)s2)cc1	804515912	XAIDFVFTKBCYGE-UHFFFAOYSA-N	404.278	5.390	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)OCc4cc(C#N)ccc4F)cc3)o2)cc1	808978912	PXJXTHKJOVOBIK-UHFFFAOYSA-N	413.408	5.080	30	20	HKED	
C[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(F)c(C(F)(F)F)c1	815993131	IWHKHNBPMCOZBZ-QMMMGPOBSA-N	406.257	5.048	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2O[C@H](C)C#N)sc2ccc(Br)cc12	816016474	QZPYJCKDYIXELB-LLVKDONJSA-N	415.312	5.515	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915086005	DWZXLBUHORXUFX-OAQYLSRUSA-N	406.445	5.158	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1	915087504	VKPZJMAPYLRQRQ-AREMUKBSSA-N	418.496	6.097	30	20	HKED	
Cc1nc(NC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)sc1SCC#N	916089446	FUHPEEHOPOJBQE-PTNGSMBKSA-N	415.540	5.447	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2ccccc2)c1	916898273	ABOXCEFCLPZTTN-QHCPKHFHSA-N	412.489	5.565	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)s3)n2)cc1	920138763	IWHVHHZQUUDQJS-HNNXBMFYSA-N	402.928	5.343	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C(F)(F)F)cc3)n2)cc1	920141580	KFLAXLGYWDRFKS-KRWDZBQOSA-N	411.408	5.120	30	20	HKED	
Cc1[nH]c2ccccc2c1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920807073	XHISFGVNPDVJAZ-OAHLLOKOSA-N	407.445	5.297	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(C)n3)CCC2)cc1	1785843659	VHTOSZZGUFJLKE-UHFFFAOYSA-N	419.569	5.059	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)c1	1787705330	IOIJCUAVSOIYBQ-QGZVFWFLSA-N	403.526	5.107	30	20	HKED	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1	1790258965	ZHBPOJAEPQBLOP-UHFFFAOYSA-N	401.510	5.052	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@]3(F)Cl)cc2)CCC1	1791672777	YANYWEIXSWNWLD-VGOFRKELSA-N	406.929	5.037	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1	1822104244	HJRNQVSAEQQQOQ-VNYTWHDVSA-N	414.594	5.076	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2C)CC1	1828822835	MKKYTQQMOWCKCV-LEWJYISDSA-N	414.615	5.058	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1	1831366998	DRLKLFNNZLNMKD-JTSKRJEESA-N	416.993	5.094	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(O)c2)c1	10174524	RKYDBZVTONUFCZ-UHFFFAOYSA-O	417.963	5.008	30	20	HKED	
C=CCN(C(=O)c1oc2ccccc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	14724052	QZDSEEALORRWEE-UHFFFAOYSA-N	419.462	5.606	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	56135628	GYNNSINCAGEJKA-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc1	56757989	JTXDYWHHNQHAIA-HSZRJFAPSA-N	403.526	5.178	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1	63392152	DRJSKDBMIZTCJT-UHFFFAOYSA-N	418.541	5.041	30	20	HKED	
C=CCc1cc(C(=O)Nc2nnc([C@@H](CC)c3ccccc3)s2)cc(OC)c1OC	78609734	WQTWPPIWWDKDMU-SFHVURJKSA-N	423.538	5.078	30	20	HKED	
C#CCN(C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C1CCCCC1	116048625	AEOSABHBDKLEIQ-UHFFFAOYSA-N	414.958	5.370	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	303070924	XBVRNKSPAAXFHD-QGZVFWFLSA-N	411.461	6.322	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1	303377696	LUPIDDSVIXARRH-HXUWFJFHSA-N	407.514	5.472	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl	303929529	ZUDGRDKOUXEEHD-IAGOWNOFSA-N	421.859	5.589	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(c2ncccc2Cl)CC1	428660702	DMWWXVYSUPNPMX-UHFFFAOYSA-N	414.843	5.140	30	20	HKED	
CCc1nc2cc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)ccc2n1C1CC1	431309847	AUKNKAUZJSBHFG-NRFANRHFSA-N	415.541	5.168	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1	431712421	RYEHFYHDNHEJCZ-NRFANRHFSA-N	415.522	5.162	30	20	HKED	
CCN(Cc1ccc(Cl)c(Cl)c1)Cc1cn(CCC#N)nc1-c1ccncc1	435132573	YBZWMYLXJGPUAA-UHFFFAOYSA-N	414.340	5.188	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccc(Cl)c(Cn2c(C)nc3ccccc32)c1	435458867	QYQUGJUCFGEWLL-UHFFFAOYSA-N	404.857	5.072	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccccn2)c1	438674297	WWIVJRSSOXFHFW-UHFFFAOYSA-N	400.482	5.436	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1ccccc1	439305352	JQYFIKHYNBDSCA-JOCHJYFZSA-N	416.456	5.245	30	20	HKED	
CCCc1c(NC(=O)c2sc(C(C)(C)C)nc2C)cnn1-c1cccc(C#N)c1	440072946	CYUWJGNXULPZRI-UHFFFAOYSA-N	407.543	5.011	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c12	443883181	KRKGWZLBXMEUGE-UHFFFAOYSA-N	414.387	5.366	30	20	HKED	
C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3ccccc3CC)n2)CCCC1(C)C	444777632	SVDBCPHYGWJQTB-QFIPXVFZSA-N	411.615	5.957	30	20	HKED	
N#C[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccccc1Cl	446112524	HEWSLOGVTFNCOH-GFCCVEGCSA-N	401.702	5.052	30	20	HKED	
CC(C)(C#N)CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	447200085	CTADVIDLZRFWKO-UHFFFAOYSA-N	404.322	6.208	30	20	HKED	
COc1ccc(CN(C)c2c(C#N)cnc3ccc(Cl)cc23)cc1OC(F)F	461461459	SUKVIZWJXAZHKA-UHFFFAOYSA-N	403.816	5.006	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	464295468	LJPQIRHVIHBKAI-HRAATJIYSA-N	404.441	5.093	30	20	HKED	
N#Cc1cc(NC(=O)c2c[nH]c3ncccc23)ccc1Oc1ccc(C(F)(F)F)cc1	464301524	WYUZGAPCJIMYSW-UHFFFAOYSA-N	422.366	5.498	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)oc2c(Br)cccc12	464412602	SZQXQNBNEZQWRS-LBPRGKRZSA-N	423.188	5.408	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)Nc1ncccc1OCCCC#N	466603498	ZQUMSEZHNAGNMG-UHFFFAOYSA-N	416.481	5.296	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1	469665041	XRLZOVQLWNVIAK-HUUCEWRRSA-N	401.482	5.238	30	20	HKED	
O=C(NCC1(C(F)F)CC1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	472185120	BTWGXBMJLHUQER-LLVKDONJSA-N	404.301	5.043	30	20	HKED	
CC(C)(CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)Cc1ccc(Cl)cc1	473439156	GEVVUVHHOYQOCV-UHFFFAOYSA-N	410.945	5.240	30	20	HKED	
Cc1ccc(CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Br	473583236	QEZVNABLHIJCKN-CYBMUJFWSA-N	403.345	5.191	30	20	HKED	
O=C(Cc1cc(F)ccc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474273643	MMQLCBCESPVTJK-HNNXBMFYSA-N	411.292	5.336	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(F)(F)F	480661097	RPBGARURBBNNPW-GFCCVEGCSA-N	411.811	5.111	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccccc1-c1nncn1C(C)C)c1ccc(F)c(F)c1	481058652	NAGXIFPBBPUUEM-HXUWFJFHSA-N	411.456	5.243	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(C(C)(C)C)cs1	481374730	NZVCASCGCLCPLS-UHFFFAOYSA-N	414.600	5.398	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1c(F)c(F)cc(F)c1F	481755244	JYEWGYQDZDBPMJ-UHFFFAOYSA-N	406.301	5.114	30	20	HKED	
Cc1cccc(CN(Cc2ccccn2)C(=O)CCCCOc2cccc(C#N)c2)c1	486190183	ASOFUUFCGLSTMB-UHFFFAOYSA-N	413.521	5.040	30	20	HKED	
C=CCn1c(SCc2cc3ccccc3o2)nnc1[C@H]1COc2ccccc2O1	486633093	SXASMOSXWGYFKR-HXUWFJFHSA-N	405.479	5.015	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccccc1	487188526	TYVCTKXQWGOAOS-GOSISDBHSA-N	413.308	5.344	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	497497018	YULNRHFDTDWUEB-HXUWFJFHSA-N	402.523	5.027	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1cc(C#N)ccn1	498886643	BLHLFSXQRPHHDV-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#Cc1ccc(CN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C2CC2)cc1	498962381	ZTGTWWLFFNJQKK-UHFFFAOYSA-N	407.926	5.069	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1ccc(C(F)(F)F)cc1	502006074	BXCXVSVQWDZIEX-NRFANRHFSA-N	413.443	5.388	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C)c(OC)c1C	502677020	DMOJRHNVDRPEQJ-UHFFFAOYSA-N	421.310	5.434	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1	503458380	FSYVPGCJCHLNPG-SFHVURJKSA-N	405.567	6.079	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnccc1Oc1ccccc1	503960577	BYTUHRRANHRNRG-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
C[C@@H](SCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1	505540572	PLBODYZWKNYNOZ-BDJLRTHQSA-N	419.337	5.045	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3ccccc3)s2)cc1	510240216	DCBFZSMAJRLPAB-SFHVURJKSA-N	421.551	5.071	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccco2)s1)c1nc(-c2ccc(Cl)cc2)cs1	510595721	HHCNWQPPEXQYHS-CYBMUJFWSA-N	411.895	5.670	30	20	HKED	
C[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1	510777195	AJSFHAXEMPOMIK-CYBMUJFWSA-N	415.440	5.120	30	20	HKED	
COc1ccc(CN2CCC(Oc3cc(C)ccc3C)CC2)cc1OCCCC#N	511661591	FFZIFCSQUXEXSP-UHFFFAOYSA-N	408.542	5.038	30	20	HKED	
CC(C)[C@@H](NC(=O)C(=O)Nc1sccc1C#N)c1ccc(C2CCCCC2)cc1	511953609	PLGKXAOKMCMHGP-HXUWFJFHSA-N	409.555	5.119	30	20	HKED	
C=CCN(C(=O)c1cc(C)c(CC)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514616823	LPMNKGWUXWWCGE-UHFFFAOYSA-N	413.524	5.483	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1	517478218	JBFHUFSWJRXJDH-LJQANCHMSA-N	415.493	5.181	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1OC(F)F	517530330	QUMVUMVBLFDJHS-GOEBONIOSA-N	419.497	5.955	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)CSc1ccc(C#N)cc1	519136052	NOEHSSMMEZRITA-CYBMUJFWSA-N	411.527	5.099	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccc(C(F)(F)F)c1	520271353	FUYJSCXJFQAGHG-NRFANRHFSA-N	410.395	5.279	30	20	HKED	
Cc1cc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n(CCC#N)n1	521008850	KZJUGDWQAMFJQQ-UHFFFAOYSA-N	412.824	5.244	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)c1	522581427	KJXIBMWBUNJQMX-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1	523953409	FNVUSUJWGKWGTE-UHFFFAOYSA-N	409.486	5.422	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C1	524200350	HKUBOJQZPXSSHG-RBZFPXEDSA-N	406.313	5.170	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1	525042445	VIKFTSNZWIPGCH-UHFFFAOYSA-N	416.525	5.248	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1F	525116515	YSXYLUZTLFIJCB-CYBMUJFWSA-N	413.518	5.121	30	20	HKED	
N#Cc1nnc2ccccc2c1NCc1cn(Cc2ccccc2)nc1-c1ccccc1	525372771	RKEAKQOANFHDPU-UHFFFAOYSA-N	416.488	5.025	30	20	HKED	
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	531075805	BAEMFPVODDMVOB-DWLFOUALSA-N	407.583	6.271	30	20	HKED	
CCC[C@H](C#N)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	535848871	YGDGPTWQTLQUNQ-CYBMUJFWSA-N	423.416	5.187	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1C1CC1	536516066	STEMYNRTLCPEJV-PBPGXSGUSA-N	421.545	5.115	30	20	HKED	
CCN(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(C#N)c(Cl)c1	539173376	GTTKAMKVPHKMGX-UHFFFAOYSA-N	418.806	5.083	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1	540203866	CKGKLSCKEQCVME-UHFFFAOYSA-N	409.392	5.025	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@H](C)c1nccs1	541423734	UIJKUQONULGBGV-INIZCTEOSA-N	406.511	5.383	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1OCC(C)C	541499286	HHOLYMOHFJJADV-GOSISDBHSA-N	421.541	5.037	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)o1	541718625	RJXYLXNLORVFPY-KRWDZBQOSA-N	420.881	5.312	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2)no1	542923669	ZVQKXVXKKUCKML-MRXNPFEDSA-N	423.476	5.466	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1	543985911	DOELRWPVGSNTAP-GOSISDBHSA-N	416.889	5.671	30	20	HKED	
Cc1ccc(C)n1C1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1	553021216	UXJMCCHGZPWOCA-UHFFFAOYSA-N	417.484	5.385	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2ccccc2)c(C)n1	554997369	SAYCAPPRHDDMOX-UHFFFAOYSA-N	403.530	5.445	30	20	HKED	
CCc1cccc(Oc2cc(-c3noc([C@H](C#N)Cc4ccc(C#N)cc4)n3)ccn2)c1	566822418	KDSMQMHBSNJTCW-NRFANRHFSA-N	421.460	5.208	30	20	HKED	
N#CCCn1cc(CNCc2cc(F)c(C(F)(F)F)cc2F)c(-c2ccccc2)n1	571916515	DOXSVBNTKOVHLQ-UHFFFAOYSA-N	420.385	5.051	30	20	HKED	
CC(C)(C#N)CCS(=O)(=O)Cc1ccc(Oc2cccc(Cl)c2Cl)cc1	582581104	WXRJIYVROQYSHH-UHFFFAOYSA-N	412.338	5.640	30	20	HKED	
CCc1nc2ccccc2c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C	603622241	PBWGMHUPEFTDNO-UHFFFAOYSA-N	408.461	5.417	30	20	HKED	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	609377206	RVDGABCGBKLPBB-MOPGFXCFSA-N	416.546	6.011	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1	609403055	OVICBPRWMBZTDI-AZUAARDMSA-N	409.555	5.151	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC	609434006	WFSKNUHUUZSKAM-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	609503897	FLLNAMQMKSWRCC-JOCHJYFZSA-N	420.896	5.273	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(Br)c2)cc1)c1cccc(C#N)c1	609566862	SMSRURTVOCSMIT-UHFFFAOYSA-N	407.267	5.390	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccccc1Br	609590305	HLOVSNQOBLIVQI-SBHAEUEKSA-N	405.295	5.087	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)cn1	609640438	MNCHFISGPWNNNB-UHFFFAOYSA-N	410.296	5.119	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc2ccccc2[nH]1	609724022	CPKUWHSXOUCVNB-CQSZACIVSA-N	416.868	5.371	30	20	HKED	
CCN(CC)CCC[C@@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609730006	JDOMMGKPNYTHID-QGZVFWFLSA-N	413.949	5.244	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1	609744559	QPZNJCXLQJLXOS-GOSISDBHSA-N	409.555	5.465	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1	610129443	ZMJHTCQOPYDUFY-NRFANRHFSA-N	417.553	5.103	30	20	HKED	
COCCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1	610357744	SJMVHALLXFATCA-HZPDHXFCSA-N	419.447	5.057	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	612314642	PTSZYPMFLIZBBK-UHFFFAOYSA-N	415.242	5.205	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	613290311	CDCAMYILOPEFSO-GOSISDBHSA-N	417.465	5.208	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccs2)n1)c1nc2cc(Cl)ccc2s1	613406894	AUPNBTJNPIRUNE-JTQLQIEISA-N	401.925	5.625	30	20	HKED	
O=C(Nc1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618539249	LPQZVXSHCMRKFU-DTORHVGOSA-N	424.263	5.180	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccoc1C	621240389	YFKSZDBRXOWHNR-OAHLLOKOSA-N	407.499	5.244	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622478087	UPSCKBJPVNAJBD-NHYWBVRUSA-N	423.328	5.422	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cccc1-c1ccccn1	677258382	LQEMFPXKGOHNRE-QGZVFWFLSA-N	403.894	5.810	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1	685558003	DQVNSNRYBUNQTJ-SFHVURJKSA-N	402.498	5.125	30	20	HKED	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	729038413	RIWOHWPAIAEULG-INIZCTEOSA-N	417.465	5.256	30	20	HKED	
CCC(CC)(NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)c(Cl)c1	729229208	VNFUJEUJPDUTRO-UHFFFAOYSA-N	420.340	5.410	30	20	HKED	
C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1ncc(-c2ccccc2Cl)o1	730426406	ZUTCGFNALCNXDO-MRXNPFEDSA-N	409.869	5.244	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1)C1CC1	734304526	MRLMGZQKCQBTHR-FLIBITNWSA-N	422.481	5.486	30	20	HKED	
C/C=C\c1ccc(OCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(OC)c1	739595615	KVZCVBCHHZEIFZ-HYXAFXHYSA-N	418.518	5.024	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)C(C)C)c1	741186345	YTFNJZHMIGGHAR-UHFFFAOYSA-N	411.505	5.676	30	20	HKED	
N#Cc1ccccc1SCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	743454367	IDPKKCHDESICCC-UHFFFAOYSA-N	406.121	5.903	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2ccccc2C(F)(F)F)cc1	744030179	ZYHMRJUDGUNFSC-HNAYVOBHSA-N	416.443	5.499	30	20	HKED	
C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1)C(=O)O	745021439	OLQTXCJDKYOORS-GDAGCXPBSA-N	423.446	5.071	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2ccc(F)cc2)ccc1OC	749132687	UUTLYLQVGVPJRP-WIOPSUGQSA-N	404.485	5.394	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)s1	750683330	BMIJKLAJIFXANC-PSASIEDQSA-N	401.702	5.159	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](OC(=O)c3ccc(COc4ccccc4C#N)o3)CCO2)cc1	757521723	VKFPAYKZGDLRRR-YKSBVNFPSA-N	417.461	5.116	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)CC(F)F)cc1	759495989	QNZWFJZGPLYRDD-JOCHJYFZSA-N	405.448	5.641	30	20	HKED	
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1c2ccccc2cc2ccccc12	763767391	NZUNHRJQJIXUHF-UHFFFAOYSA-N	403.445	5.006	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc([C@H]3CCCOC3)c2)cc1	766622271	FKHCLQZWLNSZHF-HYVJGQCMSA-N	404.510	5.055	30	20	HKED	
COc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1OC1CCCC1	767848279	UIEDABKLXJKIRW-UHFFFAOYSA-N	417.509	5.209	30	20	HKED	
CCSc1cccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)c1	769740516	GLTXWIAJQADMNW-WDZFZDKYSA-N	414.470	5.031	30	20	HKED	
CC[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)c(Cl)c1	777114171	GJCMGFSXKYBOGP-FQEVSTJZSA-N	404.341	5.389	30	20	HKED	
CN(C)C(=O)Sc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1	777980274	BDHXPTYTTADUDD-UHFFFAOYSA-N	417.490	5.377	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1	778217851	KQTDPYKHZYNPCF-GAJHUEQPSA-N	421.541	5.492	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12	780152286	DOPRYYDVGBCHLV-ZIAGYGMSSA-N	411.914	5.298	30	20	HKED	
CC(C)Sc1cccc(Cl)c1C=NNc1ccc(S(=O)(=O)C(F)F)cc1	786041510	WOVCKRDZICFMQL-UHFFFAOYSA-N	418.918	5.283	30	20	HKED	
CCCOc1ccc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc1OCC	787168454	ILWIGILAXCDJFZ-XSFVSMFZSA-N	406.482	5.029	30	20	HKED	
CC(/C=C/C(=O)c1ccc(C(F)(F)F)nc1O)=C\c1ccccc1C(F)(F)F	799891291	MSROMZBRCYRUON-UMYLGFLZSA-N	401.306	5.667	30	20	HKED	
N#CC1(CCCNc2ccc(Cl)cc2C(=O)c2ccccc2F)CCOCC1	799968078	WAVPMGCLKSRRNE-UHFFFAOYSA-N	400.881	5.223	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1=S	800867052	ZZRRYNOPYLFFBT-KOUNCHBCSA-N	417.582	5.030	30	20	HKED	
Cc1ccc(C(C)C)c(Oc2ccc(/C=C\C(=O)c3ccnc(O)c3)cc2[N+](=O)[O-])c1	806556392	SADAAINGHCMNRG-YVMONPNESA-N	418.449	5.816	30	20	HKED	
CC(/C=C/C(=O)c1ccc(S(C)(=O)=O)c(F)c1)=C\c1cccc(C(F)(F)F)c1	806573519	LQTSFJSXSUBPJQ-YXBXOZLWSA-N	412.404	5.090	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)ncc1Br	810371377	YWBZPENCIVEBIL-SNVBAGLBSA-N	410.724	5.144	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)cc1C#N	810644976	AGLKRSJIMIHFKS-UHFFFAOYSA-N	415.515	5.031	30	20	HKED	
N#CCCN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	813164843	YLHFHLLWRSTJGO-UHFFFAOYSA-N	422.312	5.226	30	20	HKED	
CCOc1ccc(C=NOCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC	849771430	IUTJIAZXJKUCBF-UHFFFAOYSA-N	412.530	5.330	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3sc4ccccc4c3Cl)s2)cc1	875061977	MPJPNLTVAZKEHC-UHFFFAOYSA-N	409.923	5.726	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2ccc(-c3ccccc3)cc2)no1	904549786	VAXRUCJEEQKJSX-FQEVSTJZSA-N	418.497	5.663	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2C)no1	915199839	NOUGESRZFCARJD-QHCPKHFHSA-N	410.477	5.298	30	20	HKED	
CCN(CC)CCN(CC(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915350328	RSNLBKPYVFVEHC-XMMPIXPASA-N	406.574	5.174	30	20	HKED	
Oc1nc2ccccc2cc1/C=N/C[C@H](c1ccccc1)N1CCc2sccc2C1	915980206	YQNJDHFZPVDXOY-OJLHXUGZSA-N	413.546	5.220	30	20	HKED	
Sc1nnc(-c2cccs2)n1N=Cc1sc(Nc2ccccc2)nc1Cl	916313901	GSFUDEXVOTUFJK-UHFFFAOYSA-N	418.960	5.031	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1	916577456	ZXBYSOJCNPFECZ-LEWJYISDSA-N	409.411	5.767	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916590718	IZOBVHJFRMRYCC-KSFYIVLOSA-N	403.457	5.372	30	20	HKED	
CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916680451	GWKGPZQIXLJCKL-VWLOTQADSA-N	421.504	5.192	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	917096947	LEHKIUAZRVNZQH-WFASDCNBSA-N	418.349	5.472	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1	920140703	GGIHHHLOBOJIAB-LJQANCHMSA-N	421.909	5.371	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1Cl)c1nc(-c2c(F)cccc2F)cs1	920804303	ORQQRJBJDVCXLM-ZDUSSCGKSA-N	402.853	5.551	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OCC(F)(F)F)cc2)ccc1OC(F)F	921261113	IPYFKHKAJDRNEV-XBXARRHUSA-N	402.315	5.134	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1	1786102338	IBBNSEDYPMVSGJ-MDWZMJQESA-N	404.510	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C)n3)CCC2)cc1	1789624042	CNMYZSMJSBLMMW-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)[nH]n1	1819307465	UZOVBWVUUVSJIW-QUCCMNQESA-N	412.578	5.163	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sccc2C)[nH]n1	1819553689	RRKWJAPMTIEJNJ-QGZVFWFLSA-N	414.575	5.078	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc2)cs1	41541584	JDLOMWPMTIARRC-QGZVFWFLSA-N	405.504	5.375	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1	56757922	QPOFURGIBAEVHX-MRXNPFEDSA-N	413.468	5.004	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(-c3cccs3)on2)cc1	58515592	FUHXLFAPCUKYDI-UHFFFAOYSA-N	417.465	5.256	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)Cc1cccc(C#N)c1	108091910	QNOVHTIFIXPORY-UHFFFAOYSA-N	423.925	5.106	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1	115168347	UDPAKKHXYONBGG-UHFFFAOYSA-N	410.473	5.881	30	20	HKED	
CCn1cc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc21	216167452	QMQYLBKWXYZKNF-UHFFFAOYSA-N	423.516	5.487	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(OCc2ccccn2)c1	410010682	PFHGBZWBXFEWEQ-HNNXBMFYSA-N	406.873	5.068	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(Br)c1F	428264836	MJWFPHPGQJHYHA-UHFFFAOYSA-N	401.260	5.441	30	20	HKED	
COc1cc(C[S@](=O)Cc2ccc(C)c(C)c2)ccc1OCc1cccc(C#N)c1	431554867	FHBAEBLCRWZNFW-SSEXGKCCSA-N	419.546	5.212	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C	437519737	PDTVIHYMVHNDHS-JOCHJYFZSA-N	416.550	5.591	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1	437987053	NPKULIBVZDYNKE-GFCCVEGCSA-N	405.832	5.571	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1	437988149	ADHBGFVMNQJXRD-LBPRGKRZSA-N	405.832	5.571	30	20	HKED	
Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	439867656	UCQSRMFKVKHCGH-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nc(Cc2ccccc2)no1	444690126	QUKAXMMYJPYBSG-NRFANRHFSA-N	422.532	5.211	30	20	HKED	
Cc1csc([C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C2CC2)n1	460293222	JROVILIIOYAXBM-NRFANRHFSA-N	403.507	5.191	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1	460792211	LFEJSYILXPNGBG-FQEVSTJZSA-N	422.529	5.090	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@]12CCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	460798774	WYZDYSCAHQFPOO-YJYMSZOUSA-N	409.338	5.063	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)c1cccc(Br)c1	462059779	OFEJQWBVJRLLQI-KBPBESRZSA-N	403.345	5.586	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1C	465463205	RMSDXBXPNDPUTR-WOJBJXKFSA-N	400.526	5.003	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)cc1	468994478	OQIYTNPSDPZYAY-UHFFFAOYSA-N	401.441	5.103	30	20	HKED	
C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cccc(N2CCCC2)c1	469586341	DMKYGESRQZSYSS-LJQANCHMSA-N	400.526	5.036	30	20	HKED	
Cc1ccc(Sc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)c(C)c1	473679101	DKPLWZXQXYDGQI-UHFFFAOYSA-N	416.550	5.797	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)C[C@H](CC#N)c1ccccc1	475386483	CQRQZKJXZBVJCS-FQEVSTJZSA-N	418.468	5.439	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1c(C)nn(-c2ccccc2)c1C	475551600	KPQKLLDQLAHIBJ-UHFFFAOYSA-N	402.542	5.663	30	20	HKED	
N#Cc1ccc(F)c(CNc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c1	486153426	RUKMAVCXZFQQLY-UHFFFAOYSA-N	405.860	5.052	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)ccc3F)s2)c(C(F)(F)F)c1	487415913	AEIOFFMYYRUGHF-UHFFFAOYSA-N	423.366	5.155	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1csc(Br)c1	489637453	ACKZXCFKIGAHDN-UHFFFAOYSA-N	422.373	5.159	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ncc(-c4ccc(OC)cc4)o3)o2)cc1	489794925	GZVFZHWLVNYTBF-UHFFFAOYSA-N	421.478	5.257	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	492374724	IDCXFMFNNHZFQU-VIFPVBQESA-N	408.228	5.419	30	20	HKED	
N#C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(Br)cc1	499390083	RXBLGIRHEDMLAB-IBGZPJMESA-N	411.324	5.075	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1	503304577	QGYWBNKVPKMVQX-UHFFFAOYSA-N	413.506	5.049	30	20	HKED	
N#C[C@H](NC(=O)c1occc1CSc1ccccc1)c1cccc(C(F)(F)F)c1	505950217	ZDSPKDPKTBINAG-SFHVURJKSA-N	416.424	5.585	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)CC1	506266720	DBJDAGFIGHSLKK-UHFFFAOYSA-N	403.910	5.788	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1	510871768	HSPOVPJRPJYMMU-UHFFFAOYSA-N	422.488	5.731	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)s1	511106724	CWDHIBPNXYFWAV-UHFFFAOYSA-N	413.499	5.196	30	20	HKED	
COC(=O)c1ccc(F)c(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	511166288	QIWBNIWWTSSXSJ-OAHLLOKOSA-N	409.301	5.024	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1nc2cc(F)ccc2o1	511689643	KOPNDXUJEVZUSA-UHFFFAOYSA-N	416.865	5.128	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)c2ccc(F)c(C#N)c2)nc1-c1ccccc1	513410781	GUDLLOIERQSXBW-FQEVSTJZSA-N	403.457	5.453	30	20	HKED	
COCc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	513648466	RYXRVUDZODQSAR-LLVKDONJSA-N	424.334	5.210	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c12	515589697	REIKQOLWJGOYKP-UHFFFAOYSA-N	418.545	5.053	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)Oc1ccccc1Cl	516710346	GPRBEEGCLUHOBH-INIZCTEOSA-N	406.869	5.718	30	20	HKED	
Cc1cc(C)n(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)n1	521222553	IMEREOIRZWJNCU-UHFFFAOYSA-N	401.514	5.051	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NC(Cc1ccccc1)Cc1ccccc1	521233094	OXDKLMAKMPLFGK-UHFFFAOYSA-N	409.533	5.110	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12	521327110	ROJMOCZLDLTXLY-AWEZNQCLSA-N	420.538	5.699	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)cc1	521951853	SNENAZNHBJXQGZ-UHFFFAOYSA-N	420.852	5.222	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	521952057	AJWXLMHCVWPCHK-IAGOWNOFSA-N	405.350	5.018	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2ccnc2)cc1	522006057	KCNDUOWLRVJIDX-UHFFFAOYSA-N	424.479	5.098	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc2cc(Cl)ccc2s1	523047779	URRRZUIPRJEKAV-HNNXBMFYSA-N	406.854	5.022	30	20	HKED	
C=CC1CCN(Cc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)CC1	533762429	UUAAUEHTHNDGNJ-UHFFFAOYSA-N	410.370	5.533	30	20	HKED	
C=CCN(C(=O)c1cnn(CC(C)C)c1C(F)F)c1nc(-c2ccccc2)cs1	533964813	AGLRUACKCMSKFR-UHFFFAOYSA-N	416.497	5.433	30	20	HKED	
C=CCCCCCN(C)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	535964286	PNJIYEUHSFYAMA-UHFFFAOYSA-N	420.022	6.276	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)s1	537008153	UKIOCLHFBYWLBH-INIZCTEOSA-N	404.539	5.201	30	20	HKED	
C=CCC[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(C(F)(F)F)cc1	537950333	RTESFRKTRCBRCP-QFIPXVFZSA-N	403.492	5.362	30	20	HKED	
CCC[C@@H](C#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1	539927090	HYYWMAHMMYUNFF-INIZCTEOSA-N	403.345	5.163	30	20	HKED	
C=CCC[C@H](CCC)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1	540188129	PYXXJSQLENAUIX-PGRDOPGGSA-N	407.526	5.182	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1	542106369	LTKWBZMECITPQJ-ROUUACIJSA-N	409.533	5.867	30	20	HKED	
N#C[C@@H](C(=O)c1ncsc1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1	549079924	KVQFCDINZKMVEV-ZETCQYMHSA-N	415.368	5.054	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cnc1C(F)(F)F	555458222	GJXAITDUYWSTDA-UHFFFAOYSA-N	409.795	5.199	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)c1	558625567	FGMXZOZTUPKSRH-SFHVURJKSA-N	408.571	5.370	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)s1	560600365	DMCIVMZBAAMUDW-OAHLLOKOSA-N	421.488	5.550	30	20	HKED	
Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1	566769955	BVVJZJODBNEMHX-UHFFFAOYSA-N	400.463	5.363	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1	572508822	NMQIFNZKRMAETB-CQSZACIVSA-N	419.472	5.910	30	20	HKED	
N#CCCC[C@H](NCc1cc(Br)cc(C(F)(F)F)c1)c1ccccc1	573907286	FHOWAEXVRJLMQV-SFHVURJKSA-N	411.265	5.993	30	20	HKED	
COc1cc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)ccc1OC(F)F	576253067	YFEXFCOMNQDAJH-UHFFFAOYSA-N	408.404	5.015	30	20	HKED	
N#CC1(c2nc(-c3ccc(Oc4ccc(F)c(Cl)c4)c(F)c3)no2)CCOCC1	581613636	PIIJIDJBYWNRRR-UHFFFAOYSA-N	417.799	5.032	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccccc1)c1ccccc1C#N	584072103	NJBBHBJNJUBQKT-UHFFFAOYSA-N	414.553	5.194	30	20	HKED	
COc1ccc(-c2nc(CSc3nc4c(cc3C#N)CCCC4)cs2)c(OC)c1	585688572	ZEPGHXWUKAAAQT-UHFFFAOYSA-N	423.563	5.265	30	20	HKED	
C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	588780578	FRTSHRCURXFJBD-CMJOXMDJSA-N	418.493	5.242	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1	590116238	RONMUQJFOFVPTF-QGZVFWFLSA-N	411.374	5.897	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	603530398	PNYNSTQESQBXBW-UHFFFAOYSA-N	423.969	5.562	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690384	NTVFCUIICQBFMX-UHFFFAOYSA-N	424.407	5.011	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(Cc1cccc(Br)c1)C(C)C	604459987	XFCHNBIHWIAABE-UHFFFAOYSA-N	416.319	5.162	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	609078300	WYHZSCYUBBTJQW-FQEVSTJZSA-N	409.942	6.029	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1NCc1cccc(NC(=O)Nc2ccccc2)c1	609670425	UEPJLLGUHMIAGW-UHFFFAOYSA-N	411.387	5.228	30	20	HKED	
Cc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C(=O)N1CCCC1	609991297	QSIHAIWZNPFATA-UHFFFAOYSA-N	424.504	5.099	30	20	HKED	
N#Cc1cc(CN[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)ccn1	611392758	JJGLQXCAWTYXPO-OAQYLSRUSA-N	400.284	5.473	30	20	HKED	
Cc1cccc2sc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c(Cl)c12	611498548	SITCJTATANFGTP-UHFFFAOYSA-N	423.969	5.151	30	20	HKED	
CCn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21	613405319	XZHWJESIQSYULM-AWEZNQCLSA-N	413.424	5.780	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccccc2F)CCCC1	618295175	GDXTTZUTCUBRAG-STQMWFEESA-N	411.361	5.227	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCSc1ccnc2cc(Cl)ccc12	618730626	HIFBJEYBMAIHDU-IBGZPJMESA-N	407.926	5.046	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(-c2cccc(C#N)c2)cc1	618826721	WPGAUWGRFGNCEJ-GKVSMKOHSA-N	406.489	5.145	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12	653026663	VFFRDRGXOIBEKP-UHFFFAOYSA-N	407.470	5.227	30	20	HKED	
N#Cc1ccc(COC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c(F)c1	725995153	WSHDIJIIGYQJEU-UHFFFAOYSA-N	406.360	5.197	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1c(Cl)cccc1Cl	726322222	HWCQEOFMBOTOMS-QWRGUYRKSA-N	408.235	5.718	30	20	HKED	
Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)c1	726570914	NOTUONPSZCZYGG-UHFFFAOYSA-O	420.945	5.439	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2cccc(C)c2)c1	726573490	GRPSAZJTTYOBHF-UHFFFAOYSA-O	405.930	5.241	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cn4cc(Cl)ccc4n2)CC3)cc1	727779922	BTFAUGUTIAFEII-GXDHUFHOSA-N	421.909	5.332	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C/c1cccc(OC2CCCC2)c1	727952640	NZJIZZJHFKPUKS-DGXIYAMASA-N	412.489	5.403	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Oc3ccc(Oc4ccccn4)cc3)o2)cc1	727988028	NTHKFDBCQWEKNR-UHFFFAOYSA-N	412.401	5.137	30	20	HKED	
CC(=NOCC(=O)Nc1c(F)cccc1F)c1ccc(OCc2ccccc2C)cc1	729675379	DXHRCGJZEHOGKP-UHFFFAOYSA-N	424.447	5.232	30	20	HKED	
O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1c[nH]c2cc(Br)ccc12	729937450	SAORFORTWMHFEW-HWKANZROSA-N	400.663	5.128	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)n1	730072762	XUEOJBBAUDAGSG-BEFAXECRSA-N	400.475	5.440	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(Br)cc1F	730971831	CTNYRWIIAAEFKQ-UHFFFAOYSA-N	423.285	5.099	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)nc1O	731564585	LMDBWCNJSYKNRI-FNORWQNLSA-N	410.804	5.479	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21)c1ccncc1	734683242	KBDHPFOHHOIRHM-CLJLJLNGSA-N	411.549	5.907	30	20	HKED	
CCCCC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)C	734699476	ZYLHYGNSXXFUJE-PKTZIBPZSA-N	419.569	5.392	30	20	HKED	
N#CCCCOC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1	735144391	IEZCCRBLXRARDC-UHFFFAOYSA-N	400.434	5.192	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	739159196	HVUKCVUNBNNNKH-KKSFZXQISA-N	404.535	5.751	30	20	HKED	
COc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)cc1OCCCC#N	740014251	OWSCAYNQMRLJAX-UHFFFAOYSA-N	417.534	5.268	30	20	HKED	
CCCOc1ccc(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc1OCC	741851949	GMYVTOXTQGYNOA-XYOKQWHBSA-N	415.493	5.136	30	20	HKED	
COc1ccc2sc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c(C)c2c1	744016062	IIJMFKMBCBFPCR-QGZVFWFLSA-N	402.475	5.213	30	20	HKED	
N#Cc1ccc(CN(Cc2coc(-c3ccccc3)n2)c2ccc3nc(O)[nH]c3c2)cc1	744406607	MSLBSXOAFIACHY-UHFFFAOYSA-N	421.460	5.002	30	20	HKED	
Cc1nc(SCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2c(C)c(C)sc2n1	747198533	YPPWAMLAMLYZKD-ZDUSSCGKSA-N	416.597	5.165	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	748801929	QBJADNWFEHZDNH-NSCUHMNNSA-N	418.259	5.042	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1-c1ccc(F)cc1	750396747	FSDTWJHLJHARJU-HNNXBMFYSA-N	408.383	5.066	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(-c3ccncc3)cc2F)cnn1-c1ccc(C#N)cc1	751533292	CGDQCJMPDCLFAI-TWGQIWQCSA-N	408.436	5.150	30	20	HKED	
Cc1sc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cc1-c1ccc(F)cc1	756547160	QWOPBGDHPCUIIS-UHFFFAOYSA-N	419.437	5.141	30	20	HKED	
CCCc1ccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2cccs2)cc1	760247215	NORGZIAVVVWDBA-XMMPIXPASA-N	404.535	5.051	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)CCO2)c1	761835277	DXNFVWNNMBLTBR-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(C)cc2O[C@H]2CCOC2)cc1	766581628	LQJWYVGYMKTBSF-GCJKJVERSA-N	401.934	5.145	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	766638118	VNGOKITUSWFIOQ-HZMBPMFUSA-N	403.276	5.178	30	20	HKED	
N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc2cc(F)ccc2s1	770471789	XGCFLCJBTPDRDU-SJWLEHQBSA-N	424.806	5.911	30	20	HKED	
N#C[C@H](COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)Cc1cccs1	772743632	WWDOXISGRNRUMS-GFCCVEGCSA-N	424.469	5.235	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1	775372354	TVNULXZQNKNSEX-OAQYLSRUSA-N	416.338	5.179	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1OC	780165563	HIRFEHWSIDHNPL-AWEZNQCLSA-N	402.878	5.071	30	20	HKED	
CCCCn1ccnc1-c1cccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1	780597012	RIWCKROYXOJMHA-KRWDZBQOSA-N	403.486	5.285	30	20	HKED	
FC(F)(F)c1cc([C@H](NCc2cscn2)C(F)(F)F)cc(C(F)(F)F)c1	783013191	RKLOCBJYSWERSS-NSHDSACASA-N	408.289	5.574	30	20	HKED	
N#C[C@@H](C(=O)CC1CC(c2ccccc2)C1)C(=O)Nc1ccc(SC(F)F)cc1	798815866	FAFOAOLRKQEMDP-KJXMEXGPSA-N	414.477	5.233	30	20	HKED	
CCC[C@]12CCCN1C(=O)N(c1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2=O	804200431	JAKGFEWCJVOTDS-WMZHIEFXSA-N	407.901	5.097	30	20	HKED	
COc1ccc2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccc2c1	804309386	CNKTVONEGJILRZ-UHFFFAOYSA-N	424.504	5.495	30	20	HKED	
CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccco1	806201492	YDRKGFRLDRCLHZ-NMNUPHIUSA-N	416.525	5.186	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1	806210211	MFYCJTIQLOVFNA-UHFFFAOYSA-N	401.530	5.058	30	20	HKED	
Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)n(CC(C)C)c1C	809486029	NUZSNZIKOULWLD-SFHVURJKSA-N	424.595	5.248	30	20	HKED	
N#Cc1ccc(CNCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1	811507095	QMOQFSIYZHHVKJ-QGZVFWFLSA-N	403.231	5.097	30	20	HKED	
Cc1ccc(-n2c(N(C)C)nc(CN[C@H](CCCC#N)c3ccccc3)c2Cl)cc1	816627015	CIHBWIITBOYJKB-OAQYLSRUSA-N	421.976	5.425	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2cccc(C(F)(F)F)c2)no1	904312687	YZQJHFFIAASVBS-HNNXBMFYSA-N	424.423	5.405	30	20	HKED	
N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2ccccc2s1	915098256	OCGKKDSCRXPUSX-OAHLLOKOSA-N	422.897	5.199	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1C	916846668	BJFAUHQPIJKPGH-GIFJBRJJSA-N	417.534	5.091	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2)cs1	916976434	OGKNINNVLPEHHX-DYLGSBMWSA-N	405.331	6.068	30	20	HKED	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)c(C)n1Cc1ccco1	917645202	UXEUEQZJTOUIJC-JAIQZWGSSA-N	419.531	5.024	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2ccc(C)c(C)c2)c1=S	920486521	IUQDHGHRFJRJAE-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
Cc1cccc(C2(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCC2)c1	920805767	FUUCZWCSDWDMFW-INIZCTEOSA-N	408.473	5.695	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	921137179	UVYUSIVEOVTVHV-IUODEOHRSA-N	400.425	5.282	30	20	HKED	
C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1(C)CC1	1510255493	HFVMNWZGYCFAKA-JKSUJKDBSA-N	401.942	5.000	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3cccc(Cl)c3)nc2O)cc1	1542848967	RDYUQUXJFASMLH-UHFFFAOYSA-N	421.884	5.067	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccs3)CCC2)cc1	1789451941	XCHOFQISLNLAFJ-NRFANRHFSA-N	408.567	5.193	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2C)CC1	1828822837	MKKYTQQMOWCKCV-NHCUHLMSSA-N	414.615	5.058	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC(C)(C)C2)CC1	1831929496	YXMYQWHANIJKTM-NRFANRHFSA-N	402.623	5.035	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)cc1	10173560	HYVCOWGRRGLZGJ-UHFFFAOYSA-O	403.571	5.711	30	20	HKED	
C=CCn1c(SCc2nc(C)c3ccccc3n2)nnc1-c1ccc(Cl)cc1	26190601	GZVRQRKMBPQCSY-UHFFFAOYSA-N	407.930	5.328	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Nc4ncccn4)c3)n2)cc1	41511521	BMAJDFXFLNLNII-IBGZPJMESA-N	411.490	5.142	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)CCCCc3nc4ccccc4s3)n2)cc1	60667183	NRNKRQHFGLHXBL-UHFFFAOYSA-N	418.547	5.643	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2cccc(Cl)c2)n1	63250362	DLSYCFKIYHDGMA-UHFFFAOYSA-N	413.886	5.200	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	63320445	UXRPSSKTPXVLPB-UHFFFAOYSA-N	408.461	5.587	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl	64455305	ZNWSWLGTNDSHBK-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
N#Cc1c(Cl)nsc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	301627561	BHAXMMUOGMHERL-UHFFFAOYSA-N	402.734	5.161	30	20	HKED	
COc1ccc(OCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	301759769	HIMCCDNUZLMAOU-GOSISDBHSA-N	412.898	5.117	30	20	HKED	
CC(C)(C)Oc1ccc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)nc1	426580375	MSXYYZNBSSQXEK-UHFFFAOYSA-N	413.437	5.035	30	20	HKED	
CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1	429260772	NYBWOJOMJKSEIX-NRFANRHFSA-N	419.916	5.184	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1	432756735	ZWWXRRAUKVRFLY-QHCPKHFHSA-N	410.477	5.907	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1OCCc2sccc21	432759390	RQWHWEXBWXUKJH-OYHNWAKOSA-N	419.506	5.236	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CCC2)n1	435134574	YCGZVMHYWXGDSV-UHFFFAOYSA-N	404.495	5.316	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccnc(Oc2ccccc2Br)c1	440048881	IBHALRQHCOCQFF-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	443886873	VGQDACDBYHKXBY-UHFFFAOYSA-N	423.822	5.467	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2COc2ccccc2)c2ccccc21	444029204	HNZYOZCHWJXRRB-UHFFFAOYSA-N	409.489	5.776	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c2ccccc21	444266669	JFOGQKXKSFQXDL-OAQYLSRUSA-N	413.443	5.239	30	20	HKED	
N#Cc1ccc(NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c([N+](=O)[O-])c1	462896885	PWTSCJURUMNLSG-UHFFFAOYSA-N	414.343	5.285	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cc1	464456286	RHRNZOIJLKNARN-IBGZPJMESA-N	408.457	5.380	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)CCOc1ccccc1	465117150	AVMHMWKBDKCDKD-LJQANCHMSA-N	414.505	5.489	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	467326786	YIEPTOJTOCRBOM-UHFFFAOYSA-N	416.321	5.416	30	20	HKED	
Cc1coc(-c2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)n1	467995795	SRGUDFMQOSPPTH-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	468548898	QXPLBUJDMUHHRZ-MNOVXSKESA-N	423.275	5.032	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2cn(CCCC#N)c3ccccc23)c1	469775394	LOEAZTXFURSXER-UUOWRZLLSA-N	401.510	5.177	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)n1	470116380	UIXKMLDDFDPSIG-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	472748379	IQBHASVVKISZAY-TZIWHRDSSA-N	422.598	5.209	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1nc(C(F)(F)F)cs1	472748720	IQPZFCZXDDOYDV-NSHDSACASA-N	414.478	5.220	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cc(-c3ccccc3)oc2C1	473640967	MQDDCYUHHCXGPB-KRWDZBQOSA-N	417.534	5.931	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)n1	474421270	LQRVDDRWSFWSEJ-NSHDSACASA-N	422.407	5.100	30	20	HKED	
C[C@H](NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1	474887210	NTKFJZPRNSLNGJ-BKDPQDBISA-N	401.963	5.140	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1OCC(F)(F)F	475566919	JMTJHNUBVZEOOJ-UHFFFAOYSA-N	406.448	5.801	30	20	HKED	
Cc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1NC(=O)N(C)C	475719837	IJIFFWDYLPPLAF-UHFFFAOYSA-N	414.509	5.151	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21	476241934	MWPFJZSIKADLPP-IBGZPJMESA-N	418.994	5.442	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1	476815416	GYSTYBKIVZORKC-IBGZPJMESA-N	411.343	5.098	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	477450522	VCKHAGMCVHZWMO-BEFAXECRSA-N	421.488	5.624	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccc(Cl)c(C#N)c1	477887119	DWIKEXICHQTOFZ-UHFFFAOYSA-N	405.763	5.446	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1cccc(Cl)c1	481386709	KCXKUBMISADNBD-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1cccs1	481404000	SVVZIGDWKIIBSF-NSHDSACASA-N	422.938	5.104	30	20	HKED	
N#C[C@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1cnc2ccccc2n1	483231103	QFGYPMMMKQQUOR-SFHVURJKSA-N	408.392	5.067	30	20	HKED	
COc1ccc(CN2CCC(c3nc(-c4ccccc4OC)cs3)CC2)cc1C#N	483489128	JXHPETJXEAEAMP-UHFFFAOYSA-N	419.550	5.079	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N(CCC(F)(F)F)Cc1ccccc1	484161896	NIGCMSNPDJSEOM-UHFFFAOYSA-N	423.438	5.468	30	20	HKED	
CN(C(=O)c1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1)c1ccccc1	487566248	CFVCAWFTQZYEGK-XMMPIXPASA-N	411.505	5.128	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1-c1c(F)cccc1F	488169669	NPLJOWOBFRWVLO-UHFFFAOYSA-N	409.461	5.298	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccc(Cl)cc1Cl	488750583	UPKODELGBDEXLE-MRVPVSSYSA-N	420.243	5.398	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1C[C@@H]1c1cccc(F)c1F	493536778	MLLVZEXMTRGBEG-BFQNTYOBSA-N	421.312	5.090	30	20	HKED	
CCCCc1nc(CS(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)cs1	494720504	XJYRQOKOFLCMPK-UHFFFAOYSA-N	410.564	5.139	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1)C(=O)N(C)CCC#N	495593468	QMIABIVNSSYTEU-LBPRGKRZSA-N	410.276	5.097	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	500106730	AMRBQSJYAZBFGS-QFIPXVFZSA-N	404.489	5.241	30	20	HKED	
Cc1cccc2oc(CCNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)nc12	500395359	GZVXHPKUTGEPGU-UHFFFAOYSA-N	412.449	5.164	30	20	HKED	
CC(C)c1cc(Br)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	504161906	IACFPWNQDDIMCP-UHFFFAOYSA-N	424.342	5.765	30	20	HKED	
N#C[C@H](NC(=O)c1occc1COc1ccccc1)c1cccc(Cl)c1Cl	505313640	HPQRUYHKPKSQFY-KRWDZBQOSA-N	401.249	5.160	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505848913	BDPVIIWFPNOEOW-JTQLQIEISA-N	404.326	5.400	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1	508178710	PWBWFTQVQVIOQS-IBGZPJMESA-N	402.325	5.418	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1	510138687	CYQHFUMVJUWOCC-UHFFFAOYSA-N	415.280	5.090	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc(C#N)cc1	510372361	JJICVIWYZKMJQW-UHFFFAOYSA-N	421.547	5.017	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc([N+](=O)[O-])ccc1OC(C)C	511076817	ZGRWCZFAVGYYCK-UHFFFAOYSA-N	424.526	5.043	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc1	511606137	MKMTZDYRXSDYRS-UHFFFAOYSA-N	420.896	5.434	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Cc2c(F)cccc2C#N)cc1	513348590	VIZCPQLFLYDKBJ-QGZVFWFLSA-N	402.469	5.135	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](NC2(c4cccc(C#N)c4)CC2)CCC3)cc1	515814715	QLSXZDDVBZKUNK-OAQYLSRUSA-N	401.535	5.347	30	20	HKED	
N#CCCN(C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccc(F)cc1	517004787	YHGWGADIWQMASI-UHFFFAOYSA-N	402.347	5.665	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccc([N+](=O)[O-])c1	522633149	FDISFLRBGIWDGA-CQSZACIVSA-N	421.840	5.403	30	20	HKED	
CCC(CC)c1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)on1	525063395	VQCDZKSNDMIQFN-UHFFFAOYSA-N	403.482	5.476	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(OCC3CCCCC3)CC2)cc1C(F)(F)F	525743196	UMSWGSQLZNOMHE-UHFFFAOYSA-N	409.452	5.170	30	20	HKED	
C[C@@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1F	530492895	OAOXLVDFSPHBBS-IVZQSRNASA-N	424.317	5.489	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3cc(C#N)ccc3C)s2)cc1	530842577	CWYTTZUHWCPUOU-KRWDZBQOSA-N	404.539	5.832	30	20	HKED	
COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1-c1ccccn1	534356189	TURAXTJYUPZMAJ-UHFFFAOYSA-N	403.507	5.212	30	20	HKED	
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(CCC#N)CC2CC2)cs1	534471522	OZVXMOYVNMZIJV-UHFFFAOYSA-N	423.369	5.260	30	20	HKED	
C=CCn1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccc(C(C)(C)C)cc1	539670542	NOIGZHYHFCOSBP-UHFFFAOYSA-N	424.614	5.621	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1Sc1ccccc1	542286056	BXDIXECNDYAKFI-UHFFFAOYSA-N	418.518	5.295	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	543648330	SQDFELDXLXLDBG-GMAHTHKFSA-N	405.542	5.695	30	20	HKED	
C=CCOc1cccnc1-c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1	547037718	XOWHBLREAAGDHZ-UHFFFAOYSA-N	413.437	5.007	30	20	HKED	
C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	553718255	XCTFCMBJAIQUMW-MMOPVJDHSA-N	416.443	5.081	30	20	HKED	
CCCNc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	556917550	PPXVPCHVQMLUCA-UHFFFAOYSA-N	414.912	5.028	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2Cc3cccc(Cl)c3C2)cc1F	562223737	JCPGNSFOMUUENQ-UHFFFAOYSA-N	407.832	5.691	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1	563246710	AQNGFQSFFLBCNB-BTYIYWSLSA-N	417.937	5.694	30	20	HKED	
N#CC1CCC(CNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CC1	565519213	WNQGRSWHUPTOBO-UHFFFAOYSA-N	400.853	5.633	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1	569158748	QIENOBCNWKGDKF-SFHVURJKSA-N	402.519	5.281	30	20	HKED	
CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	575954528	YSIDOURVBGRXRV-BGYRXZFFSA-N	416.443	5.330	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	588343313	XJLRSQVPJRIUMI-QGZVFWFLSA-N	408.461	5.111	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(C(C)C)cc1	603600870	IMQBFTUTKRXKKW-UHFFFAOYSA-N	401.466	5.195	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	603647681	ZSACZOVAZGWPKF-UHFFFAOYSA-N	424.976	5.076	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(OC(F)F)c1	603689388	KFDFKNZCCVMBPB-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)c2)c1	603756758	KGFDDEUCETWFDZ-ZWKOTPCHSA-N	402.416	5.444	30	20	HKED	
CCCc1ccc([C@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2cccs2)cc1	603796191	SZCVGPMFNALGLT-QHCPKHFHSA-N	403.551	5.503	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cc1nnc(-c2c(Cl)cccc2Cl)o1	608832834	RXENMLFUVJPPFD-UHFFFAOYSA-N	401.297	5.326	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)cc2)cc1	608840597	ADQXPLNCQGYWCD-BJKOFHAPSA-N	413.477	5.392	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c1	609503072	ZVAAAQVXBUCDBT-UHFFFAOYSA-N	421.884	5.587	30	20	HKED	
Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n[nH]2)c1	609549251	WUFCQYIANAEQLU-UHFFFAOYSA-N	409.449	5.005	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccccc1Br	609591242	LESGUAAEHQWPBY-ZDUSSCGKSA-N	423.694	5.451	30	20	HKED	
COc1cccc(CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	609723380	LXHDNUOOULVCKH-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)ccc21	609763679	HPMWRZPVRIZXBJ-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cc(F)ccc2SCC(F)F)c1	610019695	LXWCVUSEQBTSFZ-UHFFFAOYSA-N	409.433	5.509	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n(CCC#N)n1	610397062	PVZHWYLPPNDNPX-UHFFFAOYSA-N	415.280	5.457	30	20	HKED	
O=C(N[C@H](c1ccccc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618555653	SKGDDAIWGGPIIR-SDDRHHMPSA-N	422.291	5.062	30	20	HKED	
COc1cccc(OC)c1CNc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1	630068977	HFFOMCVDNIDRLI-UHFFFAOYSA-N	411.317	5.605	30	20	HKED	
Cc1nc2c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cccc2o1	672581847	FVBVLUZTFFWNIA-LBPRGKRZSA-N	401.369	5.255	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)nc(-c2ccc(Cl)cc2)n1	677564652	YMYIFKUJPWYYBU-HNNXBMFYSA-N	422.872	5.344	30	20	HKED	
CC[C@@H](C)Oc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1	679092364	RLZQGSJNJHORQB-BXUZGUMPSA-N	419.428	5.377	30	20	HKED	
Cc1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1Cl	683957935	SXEBGSYCKNEZRA-IUCAKERBSA-N	405.741	5.427	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(COc3ccccc3)c2)c1	726504102	UOEGNDARNGUDAB-UHFFFAOYSA-N	424.456	5.562	30	20	HKED	
C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)NCc3ccc(OCC#N)cc3)c2)C1	727935922	AFHXBQZTNBNSEZ-WZONZLPQSA-N	407.514	5.006	30	20	HKED	
CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728467715	AAMAYOOJNDJNKF-UHFFFAOYSA-N	413.477	5.131	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C/c2ccc(-c3cccc(Br)c3)o2)cc1	730577108	BSVDWNBAZHYHIK-CSKARUKUSA-N	408.251	5.508	30	20	HKED	
COc1ccccc1C[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	730688474	XPQUSRCWATZROF-HNAYVOBHSA-N	424.953	5.917	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3cccc4ccccc34)n2)cc1	730922694	HITDMBSCXKHFNX-RJGXRXQPSA-N	419.509	5.815	30	20	HKED	
O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1nc2ccccc2s1	730948312	CMDPFQPNUWAAEW-YFHOEESVSA-N	405.431	5.063	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	730989339	LODGLEVWRYGIIX-HNNXBMFYSA-N	411.527	5.538	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)s1)c1ccc(C(F)(F)F)nc1O	731564661	OELSIQVREQWQFZ-VMPITWQZSA-N	409.816	6.084	30	20	HKED	
CC[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732901206	NAPSLFJDJCNALU-ZBFHGGJFSA-N	402.441	5.760	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1	733806048	WKCLXQVKGHUBIT-IRLDBZIGSA-N	411.521	5.483	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc2ccccc2s1	734205273	FZJYQNPAYOAZOH-CQSZACIVSA-N	415.478	5.238	30	20	HKED	
C=CC[C@@H](NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccncc1	734652172	IJLFQPQKVYLJOI-ISKFKSNPSA-N	410.521	5.311	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1OCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	734706826	ZCNFBZOUYCDKIS-YJBOKZPZSA-N	416.424	5.195	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1CC	740327833	AZXPIAAYESQEPQ-CQSZACIVSA-N	421.415	5.017	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1cccc(C#N)c1	743110748	SAWNRAPEURAEME-CZUORRHYSA-N	420.365	5.727	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccccc1C(F)(F)F	744029134	OQWURYPIAMMERF-KDOFPFPSSA-N	416.443	5.281	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc([S@@](C)=O)cc1	746368269	HSXJMRPNTDNECM-GDLZYMKVSA-N	420.563	5.240	30	20	HKED	
COc1ccc(C)cc1C(=O)/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1	747167919	JPTHPHGEGLMFHA-QXMHVHEDSA-N	405.881	5.805	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1ncc(-c2ccc(Cl)cc2)o1	748100091	CTCKFDUWSHHYOB-UHFFFAOYSA-N	420.900	5.407	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(OCC(F)F)cc2)cc1	748941016	HQMLVWUWPIOZGX-OAQYLSRUSA-N	407.420	5.630	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)c3csc(Nc4ccccn4)n3)cc2)cc1	749064567	FWCSAIHIRSNZLJ-UHFFFAOYSA-N	414.446	5.165	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)N1CCSC1=Nc1cccc(Cl)c1C	749475744	ZSOYNNZNWBEULI-UHFFFAOYSA-N	415.902	5.010	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](CCO)c1cccs1)c1ccc(C(F)(F)F)cc1	750311879	BGIZZVXRTNUWLQ-IRXDYDNUSA-N	412.477	5.197	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1noc(-c2ccccc2)n1	761617375	DTZHAFOMQAGZBG-JTSKRJEESA-N	423.476	5.275	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3sc4cccc(Cl)c4c3Cl)CCO2)c1	762295099	JTJBMLVLKIZMAN-HNNXBMFYSA-N	417.317	5.293	30	20	HKED	
Cc1cc(/C=C\C(=O)c2cc(Br)ncc2F)ccc1Oc1cccnc1	762426067	YGFCMZABEVXTTM-XQRVVYSFSA-N	413.246	5.375	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1	764758121	GNWGRYXCFBKOFC-LSDHHAIUSA-N	400.425	5.597	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](c4c(F)cccc4F)C3)cn2)c1	769227737	JGEXKVQQUMVSFX-MRXNPFEDSA-N	420.419	5.045	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2sccc2Br)ccc1OC	772984432	FOOYYLVVDRKIKI-GXTWGEPZSA-N	409.349	5.051	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	773983483	XAXGSRFWMUHUBG-IEXSPKMKSA-N	414.317	5.710	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)/C=C\c2ccccc2C#N)c2ccccc2)c1	775065674	ZIQDBQPWFQNBLQ-IHXXNJTDSA-N	410.473	5.112	30	20	HKED	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	777297009	MVNJTCLTFPUHEZ-RNODOKPDSA-N	421.950	5.209	30	20	HKED	
N#CCCn1cc(CNc2cc(F)c(N3CCCCC3)c(F)c2)c(-c2ccccc2)n1	778648683	XHGAVEINNHNEGI-UHFFFAOYSA-N	421.495	5.344	30	20	HKED	
CN(C(=O)/C=C\c1cncc(F)c1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783530846	CMIOPEAYYKQXGX-OGZRUICASA-N	406.301	5.015	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=S)Nc3ccc4ccccc4c3)ccc21	787196697	JFUMKGUTBIZDQB-UHFFFAOYSA-N	414.534	5.232	30	20	HKED	
C[C@](C#N)(NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C1CC1	788599117	ZTZDNNPYTDRHHO-CQSZACIVSA-N	416.519	5.141	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	789450801	RAEDWWCWHRTCEV-YLJYHZDGSA-N	415.578	5.306	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1	793257199	XSPUOXZEFVMCAE-UHFFFAOYSA-N	418.884	5.041	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1Cl	795095130	CUWIAFRAEGVNLU-UHFFFAOYSA-N	423.891	5.839	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCO2	796761817	HNZJRGNQBAMOQJ-LRDDRELGSA-N	410.882	5.172	30	20	HKED	
CN(C)c1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	805855581	OBNZLKUHZOQBEK-LJQANCHMSA-N	409.942	5.339	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1	810196498	YYWGAYBQQCANGL-NRFANRHFSA-N	422.529	5.034	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1cc(C(F)(F)F)ccn1	813215220	UPOPWKAXGVIGHQ-IBGZPJMESA-N	402.416	5.231	30	20	HKED	
CC(C)(C)OC(=O)C1(c2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)CCC1	904824820	FMHOBYJRWAEFQF-UHFFFAOYSA-N	417.465	5.164	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(Br)s3)cc2c1C	914773287	BPNYAVLIXGHRBN-HYXAFXHYSA-N	422.325	5.111	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353733	QIZCSNGHUQYBHQ-IERDGZPVSA-N	405.448	5.845	30	20	HKED	
C[C@@H](OC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)Nc1ccccc1C#N	917323792	QRHJJGZAFUTBQX-QGZVFWFLSA-N	416.502	5.035	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Cl)nc3)cc2Cl)cc1	918052730	LWXIYPRQEJMBLX-UHFFFAOYSA-N	413.264	5.374	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3ccc4ccc(Cl)cc43)n2)cc1	920144264	LRJVXXLKUWHSGU-SFHVURJKSA-N	421.909	5.303	30	20	HKED	
C[C@@H](Cc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	921131506	KJNSLOUMRYXAJH-XHDPSFHLSA-N	406.404	5.509	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2	1798335248	BVPAYAIXFZBIFT-MHORFTMASA-N	421.368	5.014	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1	1821920176	HLLLPAXZNRQCPR-HTAPYJJXSA-N	416.525	5.081	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830348542	CDFIGCZWPMJHOO-FGTQWKHKSA-N	412.618	5.121	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)c(F)c1	10142883	YEETYIOLHUUFTC-UHFFFAOYSA-N	418.472	5.436	30	20	HKED	
CC(C)c1ccc([C@@H](NC[C@@H](O)COc2ccc(CC#N)cc2)c2cccs2)cc1	23678331	YMERYWRJBWGRAO-RCZVLFRGSA-N	420.578	5.056	30	20	HKED	
CC(C)c1noc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	44552076	ZYOUNOSXQIJKBY-SFHVURJKSA-N	408.889	5.073	30	20	HKED	
CCSc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)ccn1	60351446	ZMJQNARUPWWMHC-UHFFFAOYSA-N	405.479	5.118	30	20	HKED	
N#CCCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1	71829992	OTSSLFKEQIZMLE-UHFFFAOYSA-N	420.485	5.784	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C	303342060	WGCOGTAFSQGHMP-KRWDZBQOSA-N	403.482	5.080	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H](C#N)c1ccccc1F	430812682	XFVLOKKAXGEROL-OAHLLOKOSA-N	404.228	5.091	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1	430932306	DWOKWTLXABDYTA-XMMPIXPASA-N	414.530	5.147	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2cc(-c3cccnc3)ccc2C)cc(OC)c1OC	432789640	UFWYBOHQXKLTIO-UHFFFAOYSA-N	417.509	5.124	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)sc2c1CCCCC2	433525823	ROFFKJFUXUFBJS-UHFFFAOYSA-N	404.495	5.068	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NCc3cccnc3)cc2)cc1	434090679	UTNTWLANPFPZCM-UHFFFAOYSA-N	420.472	5.610	30	20	HKED	
CCC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	434505288	YHDVVGOKULNXHP-UHFFFAOYSA-N	400.503	5.696	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1	435770915	IRCFFINDHRONJG-CYBMUJFWSA-N	412.232	5.588	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)cc(Br)c1	437226714	HYJJZMSUHYEEAK-NSHDSACASA-N	409.736	5.607	30	20	HKED	
Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437472507	ZDMVVIHRWDULJO-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)NCc3cc(C#N)ccc3F)cc2)cc1	437956026	RRYPIDAJCWYQKJ-UHFFFAOYSA-N	407.470	5.179	30	20	HKED	
CCc1noc([C@H](C)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	439650805	SODTXIVZTPAFLU-LBPRGKRZSA-N	402.376	5.488	30	20	HKED	
CCCc1c(NC(=O)Nc2c(F)cc(Cl)cc2F)cnn1-c1cccc(C#N)c1	439700917	HSJRWHWFCGVCNB-UHFFFAOYSA-N	415.831	5.272	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(O)c1	444855860	VGFSEFDNVDWXKS-YCRPNKLZSA-N	405.885	5.584	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cnn(C)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1	445043023	VERIZZGWHFPHOE-ZDUSSCGKSA-N	420.357	5.287	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)Cc2coc3c(C)c(C)ccc23)c1C#N	445564447	OVCKFRGJVNCMGB-UHFFFAOYSA-N	416.506	5.010	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1cn(C)c2ccccc12	445823933	KBHOGGWXYXQVOK-UHFFFAOYSA-N	410.477	5.117	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1Cc1ccncc1	460371157	UNVZGLCXOXOKJY-OAQYLSRUSA-N	412.518	5.162	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC2C[C@H]3CC1C[C@@H](C2)C3	460561419	QEZDMIYJUXXPTG-RZRLSDKRSA-N	418.585	5.114	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	460879997	JGHZMXHWQKAVPP-VQTJNVASSA-N	403.309	5.442	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(Oc2cccnn2)c1	461605512	ZAEMCTCEBWGPHL-UHFFFAOYSA-N	424.485	5.544	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	462584611	LTEBYPQVOCEJHH-SNVBAGLBSA-N	400.319	5.033	30	20	HKED	
C[C@H](C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	462600337	VINBSIFVTFQPRT-ZBEGNZNMSA-N	400.322	5.100	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2)cs1	463279211	IXTPXLGRPWAQTD-UHFFFAOYSA-N	415.440	5.195	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1	463469344	JITNZSMTJWLGAC-UHFFFAOYSA-N	402.376	5.041	30	20	HKED	
Cc1nc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)ccc1C#N	464300938	VSJJLGCKZSZZIW-UHFFFAOYSA-N	422.366	5.197	30	20	HKED	
CCOC(=O)Cc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	464974640	SKGHMOYPWAHVMO-UHFFFAOYSA-N	414.461	5.017	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC(=Cc3ccccc3F)CC2)c1C#N	465079884	LFMYSJXYAATNIA-UHFFFAOYSA-N	407.514	5.011	30	20	HKED	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Sc1ccccc1C#N	466501147	ZRTLUODXJPXKKV-UHFFFAOYSA-N	419.462	5.269	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc3c2OCCC3)cc1	467774185	XIEOYKLSGXLZFS-UHFFFAOYSA-N	415.468	5.257	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1	470600981	NKARCQYSTBWAHR-RVKKMQEKSA-N	401.557	5.136	30	20	HKED	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	473637908	DHBPKTUTBCNVKD-FYCBBRDGSA-N	415.584	5.043	30	20	HKED	
COCCC1(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCCC1	473681282	XNUHWXDQUGHTGT-UHFFFAOYSA-N	423.532	5.006	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1	473688126	ZFYNFUODBRVMTL-UHFFFAOYSA-N	406.873	5.475	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479181181	BWVWUWNYWKQSCW-MDMXATFFSA-N	417.509	5.397	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccccc1C	481401566	OBRIKIFWBJQGHR-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
COc1ccc(N(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C(C)C)cc1F	483573671	BMCMMPIJPWMCII-UHFFFAOYSA-N	404.441	5.553	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc1	484309055	PKRXYUXXTAUHEE-LJQANCHMSA-N	404.457	5.423	30	20	HKED	
COc1ccc([C@@H](NCc2cc(C#N)cs2)c2ccc(C(F)(F)F)cc2)cc1	486840463	XKDFPITVFSQSRK-FQEVSTJZSA-N	402.441	5.526	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cc(F)cc1Br	487183298	CXBHETBDIKSZPV-UHFFFAOYSA-N	408.246	5.043	30	20	HKED	
CC(C)[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1Cl	488782683	IGRAGOHXOLJACR-HNNXBMFYSA-N	413.852	5.381	30	20	HKED	
COc1ccccc1C(C)(C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	491721403	JPCYAOIMHOJUOC-UHFFFAOYSA-N	415.493	5.724	30	20	HKED	
C=CCN(C(=O)c1coc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	499170189	PSVPMCMTRIJYLO-UHFFFAOYSA-N	405.435	5.297	30	20	HKED	
CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](c1ccc(Cl)cc1)C1CCCC1	499912858	QFUHWKMSWKHESP-QFIPXVFZSA-N	406.917	5.625	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCCCC[C@@H]3c3noc(-c4ccccc4)n3)cc2)CC1	501840310	LAJMSRYKIVBJET-OAQYLSRUSA-N	412.493	5.049	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	504699726	VSQZIDWLUOPFMR-IIYDPXPESA-N	409.338	5.203	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1	507890213	QCCONYRBNWIFTL-UHFFFAOYSA-N	423.428	5.448	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1	508145089	SBBUGCYNNYEMQB-UHFFFAOYSA-N	404.441	5.152	30	20	HKED	
C=CCOc1ccc(CNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1	508448561	INGSBXOWORDMHO-UHFFFAOYSA-N	413.521	5.188	30	20	HKED	
CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(-c2ccccc2)ccc1C#N	510213280	WAKXDYSVUZQARW-UHFFFAOYSA-N	413.955	5.086	30	20	HKED	
Cc1nc(-c2ccccn2)sc1C(=O)Nc1sc2c(c1C#N)CCCCCC2	511090328	CNRNEEUGDHIWTQ-UHFFFAOYSA-N	408.552	5.358	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)n1	513655698	UBXGUSIGIKEJBU-INIZCTEOSA-N	417.317	5.827	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(COc2ccccc2C#N)o1	515636697	BSGDBNHJDXIFSU-SFHVURJKSA-N	400.478	5.171	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1	517355453	RWXWHJLIDMDZGZ-VWLOTQADSA-N	423.447	5.404	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	517456508	RTCPBAZUVVZPKQ-ZIAGYGMSSA-N	408.445	5.363	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1	517472722	AJFRXJPOIICZDY-ZIAGYGMSSA-N	402.589	5.575	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2cccc(OC(F)F)c2)cc1	518020645	VQJTVGJDMOLZBP-UHFFFAOYSA-N	412.367	5.021	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	518755477	JZOSITGDDFZHPD-LJQANCHMSA-N	419.550	6.217	30	20	HKED	
Cc1cc(C)cc([C@H]2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)c1	519860380	OFUZUZJZWOSIEB-IBGZPJMESA-N	412.493	5.384	30	20	HKED	
CC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(OCc2ccccc2C#N)c1	520316173	CHRVRLZGKUCJIH-UHFFFAOYSA-N	404.432	5.188	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1	520971143	FCHVDSMRXLVQGE-QFIPXVFZSA-N	420.896	5.015	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	521277124	MDOVFHJEVHDVBP-INIZCTEOSA-N	424.888	5.381	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1ccccc1Cl	521809365	CZZDMNRZFXFLKQ-OAHLLOKOSA-N	403.935	5.277	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1	522844411	XPBFSPLCLYWHDM-MRXNPFEDSA-N	419.554	5.369	30	20	HKED	
CO[C@H](C)c1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	524166569	OIWHHCKDLWYGTD-GOSISDBHSA-N	402.498	5.040	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C(C)C)cc1	527229853	GRSMJPCDCRHAPL-HXOBKFHXSA-N	422.573	5.098	30	20	HKED	
C=CCc1cc(CN[C@@H](c2ccc(OC)cc2)c2ccccc2OC)cc(OC)c1O	533104561	XEAAEZZPXUKAQT-VWLOTQADSA-N	419.521	5.026	30	20	HKED	
CC(=O)N(c1nc(CN(C[C@H](C)C#N)C2CC2)cs1)c1c(C)cc(C)cc1Cl	533758877	LVHMXRHFNPEMRZ-CQSZACIVSA-N	416.978	5.222	30	20	HKED	
Cc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)nn1-c1cccc(Cl)c1	537533568	NZLDCVWXFXHWSE-UHFFFAOYSA-N	417.900	5.027	30	20	HKED	
Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	542035621	KXXMXJWNSIQABV-HXUWFJFHSA-N	405.889	5.075	30	20	HKED	
Cc1nc(-c2ccc(N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc2)nc(O)c1C	542040163	VUMZCVPTJSZZOY-GOSISDBHSA-N	421.504	5.573	30	20	HKED	
COCC[C@H](Cc1ccco1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	542351894	OGSJKHAFBBZEMS-LJQANCHMSA-N	419.481	5.021	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)CCc2ccc(C#N)cc2)c1	544243052	RXXGHFRSUNSIDQ-AHKZPQOWSA-N	410.517	5.257	30	20	HKED	
N#CC1(c2ccccc2)CCC(N[C@@H](c2cncc(Br)c2)C2CC2)CC1	551816754	KBFDYWTUTCTEAX-ATKRNPRHSA-N	410.359	5.289	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)C3(c4cccs4)CCCCC3)CC2)c(F)c1	553544097	IPOLVJHIKUIPFP-UHFFFAOYSA-N	412.530	5.031	30	20	HKED	
N#Cc1ccnc(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)c1Cl	557485909	UXCHTBVQLAZOTK-UHFFFAOYSA-N	421.888	5.204	30	20	HKED	
CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	568820762	QQLDOHUWXBVYEE-UHFFFAOYSA-N	417.534	5.153	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC(Cc4ccccc4)CC3)cc2)ccn1	570763961	MZCQDNABKSQWFP-UHFFFAOYSA-N	412.493	5.232	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1Cl	573990640	AWGVTKMDTFMLPP-KNQAVFIVSA-N	419.916	5.478	30	20	HKED	
N#Cc1ccc(CNc2ccc(C(=O)N3CCCCCC3)cc2)c(C(F)(F)F)c1	579043629	TUOLKOAZSMYYFE-UHFFFAOYSA-N	401.432	5.205	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1	591108777	XIWWTMBQSNHORL-UHFFFAOYSA-N	407.322	5.467	30	20	HKED	
CCN(C(=O)c1sc(-c2ccc(OC)cc2)nc1C)[C@H](C)c1ccc(C#N)cc1	603528782	WHWUXFFQHLCNTP-MRXNPFEDSA-N	405.523	5.222	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)o1	603876401	VQUMCAAGISYTKG-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
CCC(CC)[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccs1	604108987	YPDMWGGSTCWXJK-QHCPKHFHSA-N	424.614	5.015	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cn(C)c2ccccc12	609060405	DCQXOJWSBDARJG-UHFFFAOYSA-N	409.489	5.119	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609078196	GIQHKAJZQQNFFT-SFHVURJKSA-N	415.493	5.337	30	20	HKED	
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609496192	FLSUQEBZKXCXKL-UHFFFAOYSA-N	401.466	5.304	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)cc2)nc1	609507949	OBGBEHSCCUTNBL-IBGZPJMESA-N	403.869	5.029	30	20	HKED	
C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(C#N)cc1	609813481	AHOLHYOKUUPZHK-CQSZACIVSA-N	410.930	5.570	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2c(nc1O)CCCCC2	609969305	ZSZBDUAINBHZDH-UHFFFAOYSA-N	413.477	5.281	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(C#N)c(C#N)c1	610109412	MBIICEJHAYKUDY-UHFFFAOYSA-N	412.396	5.133	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1	610197190	FPLCPVQPMAZBQO-MRXNPFEDSA-N	404.432	5.545	30	20	HKED	
CCCCCOc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1OC	610348057	VFDPPMKYNJMCCF-ROUUACIJSA-N	409.530	5.257	30	20	HKED	
Cn1c(SCCCSCC#N)nc2scc(-c3ccccc3Cl)c2c1=O	610411366	KXSOSUWFYYDWEA-UHFFFAOYSA-N	422.000	5.054	30	20	HKED	
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Oc2ccccc2)c(F)c1	610809901	LDHXRTHTCVPPGO-GOSISDBHSA-N	416.500	5.204	30	20	HKED	
COc1ccc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1OCCCC#N	611259268	CSXYRPZTTMJRSI-NRFANRHFSA-N	403.526	5.239	30	20	HKED	
Cc1cc(C#N)ccc1CN1CCC[C@H]1c1nc(-c2ccccc2Br)no1	615465024	SOFCOMXJLVRBJS-IBGZPJMESA-N	423.314	5.016	30	20	HKED	
O=C(CCCOc1ccccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	617008617	USXMFWBYHZDAGS-VXGBXAGGSA-N	415.349	5.010	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1Cl	677559854	SOXXSZRSOSBXSM-NSHDSACASA-N	410.804	5.467	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1Cl)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	680491028	RSFOASPPNZTVPN-YUMQZZPRSA-N	410.692	5.482	30	20	HKED	
C=C(C)[C@@H](NCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(F)c(F)c1	681464608	GFUKJPYASBQDNW-GOSISDBHSA-N	409.358	5.039	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	682777178	HLJDMLIHAWEECD-GJZGRUSLSA-N	408.386	5.743	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726074269	PAICBBDXPGPDRW-FQEVSTJZSA-N	405.448	5.674	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727791917	VUAZXNFGYLTXEG-IRXDYDNUSA-N	410.304	5.232	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(N4CCCC4)c(F)c3)c2)cc1	728469203	NVDCMEARNSDZPO-UHFFFAOYSA-N	401.441	5.342	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1Cl	729319923	RSXYKQJXCJFMDB-QGZVFWFLSA-N	421.287	5.549	30	20	HKED	
Cc1cn2c(/C=C/C(=O)c3c[nH]c4cc(Br)ccc34)c(C)nc2s1	729936414	BMFKCCKQBSWKHN-AATRIKPKSA-N	400.301	5.153	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)n1	730393841	DCFIAGJFUVFODA-BEFAXECRSA-N	400.475	5.440	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	730422053	SKCMTNNIRJJEAU-CYBMUJFWSA-N	408.376	5.143	30	20	HKED	
C=CCOc1ccccc1C=Nn1c(S)nnc1COc1cc(C)ccc1C(C)C	730550669	CBYGVVXKUDVPDL-UHFFFAOYSA-N	422.554	5.025	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	730687913	QIGMKHUGDHRODU-RCCFBDPRSA-N	401.293	5.007	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(OCc2ccccc2C(=O)O)c1	731564582	LMBRQKIAYYMVER-OUKQBFOZSA-N	418.493	5.254	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1cccc(OCC(=O)O)c1	733206282	FVBSIDUVIOCMFM-BJMVGYQFSA-N	413.882	5.131	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)o1	734303752	YPVXDBQDCUXBHD-UYRXBGFRSA-N	401.393	5.137	30	20	HKED	
C=CC[C@H](NC(=O)NC[C@H](CC)Cc1cccc(Br)c1)c1ccncc1	737048060	RRTFXVKYLQKHPF-UZLBHIALSA-N	416.363	5.029	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1F)C(=O)N1c2ccccc2Sc2ccccc21	741859851	LIJYPSXQJMAAED-CQSZACIVSA-N	406.507	6.007	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	742537188	IAMVZWIAQUIPAI-JTSKRJEESA-N	400.453	5.329	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1)C(=O)O	745022092	WFOPDDUVKNBRPW-RBJHHQRMSA-N	423.446	5.071	30	20	HKED	
C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc2ccccc2o1	746561818	BLMOIVDYHPLBQM-OAHLLOKOSA-N	415.424	5.164	30	20	HKED	
N#Cc1ccsc1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	748105430	PCIZKGWRHPEGPN-UHFFFAOYSA-N	424.092	5.029	30	20	HKED	
Cc1cc(Cl)cc2c1OC/C(=C\c1cc3cnn(C(C)C)c3nc1Cl)C2=O	750907985	CASGNACINMQVFU-MKMNVTDBSA-N	402.281	5.286	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(F)ccc2O)cs1	757467303	CYHNAGNBWYKWCT-WEVVVXLNSA-N	416.861	5.222	30	20	HKED	
C=CC[C@@H](N[C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)c1ccncc1	766022820	XLLFJCGXXGCJOR-OXJNMPFZSA-N	423.582	5.423	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	766469293	QOGUTGPKHYAAOY-QRWLVFNGSA-N	407.514	5.407	30	20	HKED	
O=C(Nc1ccc(F)nc1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	766749220	GUSGAWGJBVUHBZ-KWEADSPHSA-N	424.360	5.282	30	20	HKED	
N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1ccc2ccccc2n1	769786368	AJPVNSXYPOTONN-PCJMVEANSA-N	400.787	5.710	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	772666880	OSIVAFZNOPJLBI-SJKOYZFVSA-N	409.338	5.307	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3ccc(C(C)C)cc32)ccc1OC	772987117	SMESHCSOOFAOTP-IFMALSPDSA-N	408.542	5.503	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccccc3F)s2)ccc1OC	772987398	UBWIAVNXRCVWIY-WMZOPIPTSA-N	424.541	6.095	30	20	HKED	
C[C@@H]1CCOCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	775337147	AETIFWHHXROYRS-CQSZACIVSA-N	419.403	5.012	30	20	HKED	
C[C@@H]1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1(C)C	781447045	BRFAVCUMZBHCKR-DAXOMENPSA-N	400.931	5.281	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(C)o2)s1	781762624	DKRRJRISNLRVMH-KRWDZBQOSA-N	406.507	5.403	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3ccc(C(F)F)cc3)SC2=S)cc1Cl	794859562	WTBBADALMSABGN-CHHVJCJISA-N	406.866	5.555	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2sc3ccc(C#N)cc3c2C)c(C)c1	796624760	SZNLEPKFWUOOMW-INIZCTEOSA-N	406.507	5.191	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc2cc(C)ccc12	796633026	MKDJLRJUOIYPNA-AWEZNQCLSA-N	412.898	5.141	30	20	HKED	
CC(C)(C)OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	796800705	YATXIYTYVNKVOA-AWEZNQCLSA-N	411.354	5.888	30	20	HKED	
C=CC[C@H](OC(=O)CCc1nc(-c2ccncc2)no1)c1ccc(Cl)c(Cl)c1	797554079	PFYNPLXLTUROHP-KRWDZBQOSA-N	418.280	5.232	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3[C@H](O)c3ccccn3)c2)cc1	798259494	BQDXRWLXNZGNQI-VWLOTQADSA-N	421.456	5.080	30	20	HKED	
COc1ccc([C@H](NCC(C)(C)CCC#N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1	806175837	GFZVWWMGHSPMNH-RTWAWAEBSA-N	415.578	5.055	30	20	HKED	
COc1ccc(/C=C/C(=O)c2coc(C(C)C)n2)cc1OCc1ccc([N+](=O)[O-])cc1	806557793	IVZJFCINACIVIT-UXBLZVDNSA-N	422.437	5.190	30	20	HKED	
COc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1CN1CCCCC1	815636453	VNUIVBKGPYHVOA-SQJMNOBHSA-N	405.586	5.767	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1	915124434	ILQDZVKWGGPVPT-GOSISDBHSA-N	412.345	6.458	30	20	HKED	
CC[C@@H](C)c1ccccc1OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1	915134303	MURCDMGMDNOMGY-MRXNPFEDSA-N	419.481	5.142	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2ccc(C(=O)N(CC=C)C(C)C)cc2)cc1)C(C)C	915155147	DVZOLZCHCNSJRG-UHFFFAOYSA-N	404.554	5.427	30	20	HKED	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1OCC	917645246	VQQAQXYLDRUMIP-DEDYPNTBSA-N	424.547	5.152	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3ccc(C)c(C)c3)n2)cc1	920139853	ZLHGOPVYPPGJCL-FQEVSTJZSA-N	406.507	5.081	30	20	HKED	
N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1	920265479	OZKWZLDISBIVQE-QGZVFWFLSA-N	413.955	5.607	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3Cl)CCC2)cc1	1789449162	OMTKINBBPFJKMH-LJQANCHMSA-N	423.944	5.251	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C)n3)CCC2)cc1	1789451221	BERCWSSOVWBHGQ-QFIPXVFZSA-N	417.553	5.215	30	20	HKED	
CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1	1829956255	BJOBTOXSZCKVCW-GBXCKJPGSA-N	423.601	5.008	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)cc1	10173297	XRHQTKCOZWGZDK-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
COc1cc(C(=O)/C=C/c2cccc(OC)c2OC(C)C)ccc1SC(F)F	63874718	IZALBGPAPWSVEO-CSKARUKUSA-N	408.466	5.702	30	20	HKED	
C[C@H](Cc1ccccc1F)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	65117019	UGJKZJJFGRTMJH-QGZVFWFLSA-N	404.510	5.351	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3ccccc3SCCC#N)c2)cs1	78668381	UFWNDECMFONPOY-UHFFFAOYSA-N	409.536	5.289	30	20	HKED	
C=CCN(C(=O)[C@@H](C)Sc1ccc(OC)cc1)c1nc(-c2ccccc2)cs1	108274342	WLHYHZHRDFLHNA-MRXNPFEDSA-N	410.564	5.519	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccc(NC2CCCCC2)cc1)c1ccccc1	110894734	IBYXYAZAFVPJFV-UHFFFAOYSA-N	418.541	5.097	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCC2CCCCC2)cc1)c1nc(-c2ccncc2)cs1	195662781	FHFQSRURVRRTTR-OAQYLSRUSA-N	417.534	5.654	30	20	HKED	
CSc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1[N+](=O)[O-]	195704342	YXRRUNYKDGHTSU-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2S[C@H](C)C#N)cc1	206778577	NTOVVWRPJPHIPQ-HVOBPNNYSA-N	416.333	5.691	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3)n2)nnc1-c1ccncc1	255929365	ADLNLFDKKQDXAA-UHFFFAOYSA-N	406.540	5.019	30	20	HKED	
N#Cc1cccc(Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)n1	301852354	PUNRFOOOSBUGHR-UHFFFAOYSA-N	403.898	5.065	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)s2)o1	303014243	PLDJWHAQJIARSV-UHFFFAOYSA-N	419.428	5.096	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1	426253309	SBHBSHFIMZQCHW-HUUCEWRRSA-N	405.258	5.193	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H](OCC3CC3)C2)cc1Cl	428109311	AWODRTCIFOYHSS-IBGZPJMESA-N	410.901	5.035	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	429683153	QCUQWDCWLUYRLF-INIZCTEOSA-N	407.857	5.641	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	463834911	MDVVPUQTMZCCGC-UHFFFAOYSA-N	409.555	5.101	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(OC)c1	464145517	QVEDVJSYUGOUES-UHFFFAOYSA-N	424.884	5.282	30	20	HKED	
Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	465249293	FBISALDKUKYSCY-AWEZNQCLSA-N	405.470	5.312	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1	467157166	FLSDGXYUOHWFEC-OAQYLSRUSA-N	417.465	5.459	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N	469307275	WDEHPDFXWNZLCA-HNNXBMFYSA-N	424.957	5.275	30	20	HKED	
O=C(c1cccc(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469753282	QLPKOAKLWAEWAG-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	470623598	IZSWXHXJNFOJIU-LRDDRELGSA-N	408.807	5.417	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cnc2ccccc2c1)c1ccc(OCc2ccccc2)cc1	471086054	LHFGNSQQOWURSU-AREMUKBSSA-N	421.500	5.127	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc2ncccc2c1	471250395	CZMVXXPCTPDMRP-UHFFFAOYSA-N	408.461	5.529	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)ccc1Cl	471664524	VWHCBNLKMNASBS-UHFFFAOYSA-N	401.278	5.059	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C2)nc2ccccc21	475911993	PJFOJGQRSRHSGA-HXUWFJFHSA-N	414.553	5.438	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(F)cc1I	476083660	KRCCSGOJITURAR-UHFFFAOYSA-N	423.269	5.535	30	20	HKED	
C=C(C)[C@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(F)c(F)c1	478906680	BFKFYOPXLXRONB-AVRDEDQJSA-N	413.512	5.205	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cs1	479285788	QRCQSPCHIBLNNF-LJQANCHMSA-N	423.925	5.746	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1	480345846	WROKVIKGJIUNDR-HOTGVXAUSA-N	419.978	5.235	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F	481333281	XEBFUYVHAHVVPQ-IBGZPJMESA-N	408.468	5.164	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)c1	482408260	NFGJVTLDZDDJBY-IBGZPJMESA-N	405.542	5.044	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nccc2ccccc12	483222786	CUGSLRQSXNPLLY-INIZCTEOSA-N	407.260	5.217	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nccc2ccccc12	483244498	ZPNRQSZEFSQCON-HXUWFJFHSA-N	408.417	5.377	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1COc2ccc(Cl)cc21	485788302	PISAVGWUNNIUSW-NRFANRHFSA-N	418.880	5.214	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2c(F)cc(F)cc2Br)c1	487232195	BUBDJMQCDHVQNM-UHFFFAOYSA-N	410.218	5.054	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCC(C)(C)CCC#N	495427414	RDYXUNKOPLWZHR-CQSZACIVSA-N	404.967	5.462	30	20	HKED	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N	498442445	RMJZTJZZZNTSGG-UHFFFAOYSA-N	409.489	5.022	30	20	HKED	
C=CCc1cc(CN[C@H](c2ccccc2)c2ccc(OCC)cc2)cc(OC)c1O	500129363	GIUKZCDJACBMPF-RUZDIDTESA-N	403.522	5.407	30	20	HKED	
C[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1	504741142	JLIITZBVVDGABO-INIZCTEOSA-N	416.443	5.141	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)cs1	505249384	OVWZOHHNCRJCBI-CQSZACIVSA-N	405.498	5.038	30	20	HKED	
Fc1cccc(-c2nc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)co2)c1	505813107	RHQUSBSLWRQEHD-INIZCTEOSA-N	418.312	5.893	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CCCCC1	506516061	NLYRXTGNWAGRGZ-GOSISDBHSA-N	403.404	5.095	30	20	HKED	
O=C(Nc1cccc(CCC(F)(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510066881	VXRPUEGLDUMXAA-MRXNPFEDSA-N	422.344	6.136	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)NCCCCC#N	510584035	YRCLDMRPGHYIEA-APWZRJJASA-N	420.944	5.733	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	510857850	RVTJBWOUFVYQHX-RUZDIDTESA-N	411.505	6.336	30	20	HKED	
N#Cc1c(NC(=O)Cc2ccccc2Br)sc2c1-c1ccccc1CC2	511788965	VVLWIBZKCBWIBI-UHFFFAOYSA-N	423.335	5.329	30	20	HKED	
CC(C)N(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	513986332	YMUAXXRAOLSTEO-UHFFFAOYSA-N	423.567	5.145	30	20	HKED	
CCCC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OC)cc1	520940239	JXKMFXSLBNWWQK-YLJYHZDGSA-N	411.571	6.142	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c3c2CCC3)c(C)c1	521659910	XIFRPSRLEAFPCX-QGZVFWFLSA-N	412.518	5.078	30	20	HKED	
C=CC1CCN(C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)CC1	521957303	AKMHFVFCMXCCTJ-UHFFFAOYSA-N	409.580	5.183	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N)CCC2	522072416	MFGGTPKRSAHSDV-DYVFJYSZSA-N	400.573	5.387	30	20	HKED	
CCN(CC)Cc1cccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	522306407	ODAQSEYSSJWKGI-UHFFFAOYSA-N	413.521	5.231	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C#N)C1CCCCC1	524539278	ZIDYHYDWTLANTR-SFHVURJKSA-N	402.951	5.261	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cc1ncc(-c2ccccc2Br)o1	525633760	VFXUXHXWUVRIGO-UHFFFAOYSA-N	410.315	5.386	30	20	HKED	
C=C(C)[C@H](CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1)OCC	535151334	FNYBOLMNPCXZIZ-CYFREDJKSA-N	408.542	5.106	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(OCc4cccnc4)c(Cl)c3)cc2)CC1	538539770	YIXVTMYBOPFZQY-UHFFFAOYSA-N	403.869	5.121	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1	539338655	YYIQYPLBEMULGD-PKTZIBPZSA-N	402.881	5.139	30	20	HKED	
CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1c(C)nn(C)c1C	541119203	CFIFBEPPFXLPNH-MWTRTKDXSA-N	415.541	5.087	30	20	HKED	
C[C@H]1N(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCC12CCOCC2	541703462	YWZLXUCVRCFYDG-MRXNPFEDSA-N	410.901	5.035	30	20	HKED	
CCOC(=O)c1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1Sc1ccccc1	542390543	CCVOTIMYQQQMRW-UHFFFAOYSA-N	423.538	5.172	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	542979915	VGXDQOMSXOKAMY-DFBJGRDBSA-N	408.505	5.631	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC[C@H]3c3ccc(Br)s3)cc2)CC1	543227476	XZESEAXRANQLLG-HNNXBMFYSA-N	401.329	5.043	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2ccc(C)cc2)C1	548838377	WUERGSIGSYPTFB-HXUWFJFHSA-N	420.582	5.067	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N(CCC#N)c1ccc(F)cc1	552130599	VPJAZNGAJZJTFK-UHFFFAOYSA-N	407.514	5.477	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	557383061	MMVDWPWCGNWQQU-UHFFFAOYSA-N	408.505	5.219	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1c2ccccc2Oc2ccccc21	561238405	QNMJIFMRBVJXAO-UHFFFAOYSA-N	401.510	5.307	30	20	HKED	
Cc1oc(C#N)cc1-c1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	568442958	JZFAEJITEUYTLW-UHFFFAOYSA-N	413.220	5.671	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1	581743003	AVNSMZRYIYRNLN-KRWDZBQOSA-N	401.510	5.252	30	20	HKED	
COc1cccc(/C=C(\CC(=O)NC2(C#N)CCCC2)c2nc3ccccc3s2)c1	585705287	JYEWPRSRXOSCSE-QGOAFFKASA-N	417.534	5.188	30	20	HKED	
CN(C(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(Br)cn1	603962925	MJNZPHQAWHBXHL-UHFFFAOYSA-N	424.323	5.144	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(Cc2cccs2)n1-c1ccccc1	604494984	DZMSUXPIHGFCQM-FQEVSTJZSA-N	402.548	5.147	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C)c3ncccc23)cc1C	608876626	YPAOCUBSDADQQD-UHFFFAOYSA-N	409.493	5.190	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1	609001048	JOABGNLQVXYYOF-UHFFFAOYSA-N	413.443	5.006	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2sc(N(C)C)nc2s1	609430213	CASSONHCBGRKBD-LLVKDONJSA-N	402.570	5.070	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc2)nc1	609498982	DPUMUQQVPAKSCJ-UHFFFAOYSA-N	420.428	5.057	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	609724757	KJMPVWSBNBHQPN-UHFFFAOYSA-N	411.914	5.434	30	20	HKED	
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N	609866186	UAYNUKPVQDCNGH-WAIKUNEKSA-N	404.897	5.385	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)nn1	609881845	QTYWKZLLPBCHIE-INIZCTEOSA-N	403.511	5.175	30	20	HKED	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	610404610	DHKAWSSKLGTNMN-RSXGOPAZSA-N	413.496	5.139	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1	614969626	HEBVXVILYSIGLQ-NRFANRHFSA-N	409.449	5.137	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC4CCCC4)cc3)n2)cc1	619756435	HWMAJOZIFJNQOI-NRFANRHFSA-N	418.518	5.630	30	20	HKED	
Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccs2)cc1	619854630	IZBHIUKKGOVZHZ-JOCHJYFZSA-N	423.611	5.119	30	20	HKED	
C=CCc1cc(CNC(=O)c2ccccc2SCc2ccco2)cc(OC)c1OC	622755741	WAZNFIJRJNVTRC-UHFFFAOYSA-N	423.534	5.248	30	20	HKED	
CCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC	642282167	QAZLQCDLZDNYCF-CYBMUJFWSA-N	420.412	5.212	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1	642466373	WCDZOHYKPURBTK-UHFFFAOYSA-N	406.433	5.173	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1C(F)F	676168587	JDDOLQQZULVYON-UHFFFAOYSA-N	419.247	5.270	30	20	HKED	
CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OC	726428134	FQJGCBXEBZEQBV-VURMDHGXSA-N	417.889	5.001	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)NCCc1cccs1	727701207	FHFTVNPUTQKGSQ-UHFFFAOYSA-N	409.555	5.191	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1	728063212	ZOMBZURKHASTQI-HXUWFJFHSA-N	413.521	5.502	30	20	HKED	
O=C1/C(=C/c2csc(-c3cccs3)n2)COc2c(Br)cccc21	728440948	YSTSSEJHLRHBNG-JXMROGBWSA-N	404.310	5.293	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccccn3)n2)CCc2nc(-c3ccccc3F)sc21	731939938	XWIQOGKMSYVGSQ-ACCUITESSA-N	419.506	5.680	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2o1	732596529	WMLMGWKIWGOVLH-YPAWHYETSA-N	408.457	5.387	30	20	HKED	
C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	733621653	LHCMJBRQGGJXFY-VPUSJEBWSA-N	409.533	5.928	30	20	HKED	
Cc1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)ccc1N1CCCC1	734100961	XIJKZZUOAXESCV-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccccc2s1	734117322	NULBQWKMPORQQK-INIZCTEOSA-N	413.502	5.238	30	20	HKED	
O=[S@](Cc1cccc(N=Cc2cc(Br)ccc2O)c1)c1ccccc1	734365998	AUCWQHQHBVGJHN-RUZDIDTESA-N	414.324	5.213	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(CCc3ccccc3)C3CC3)c2)s1	740484637	QSKJSKQBULYXHR-UHFFFAOYSA-N	401.535	5.203	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3nc(C)cs3)c2)cc1	740536297	RGGRNJDPMYQADI-BTYIYWSLSA-N	417.534	5.593	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	743094938	FPBDJYQVWRELKB-NTKDMRAZSA-N	413.521	5.446	30	20	HKED	
CCCCCC[C@H](C)NN=Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	743450226	HZNXPDLPUWGIQE-HNNXBMFYSA-N	406.983	5.764	30	20	HKED	
COc1cc(Br)c(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cc1OC	745990707	XBXIPHRJTDYNNR-BQYQJAHWSA-N	424.294	5.424	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1OC(F)F	746000015	VZTCZYVQTATMTJ-VQHVLOKHSA-N	415.348	5.361	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3nc(S)oc3c2)cc1F	746332116	FGTHVMUCCSAKAG-UHFFFAOYSA-N	405.410	5.172	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)n1	749042164	XHTFGTMWYYOQEE-HMQMGEFJSA-N	417.575	5.011	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1cc2cc(Br)ccc2o1	753142528	QZOKHNRFTRMGRC-WAYWQWQTSA-N	411.280	5.610	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1	761310964	MBQXUTXOCXMWSG-MRXNPFEDSA-N	415.707	6.555	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)Nc1ccc(F)cc1OCC#N	761669416	SYMNXPYGZQRLFT-UHFFFAOYSA-N	405.429	5.260	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1	763520694	KUIOJYLFRRTBSD-YESZJQIVSA-N	419.591	5.116	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(CCC)CCc2cccs2)c1=S	766027397	IGZYGUKUKCARCI-UHFFFAOYSA-N	413.616	5.026	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)n1	766385337	WBSVGEBCIAADEK-WBVHZDCISA-N	419.591	5.116	30	20	HKED	
C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1ccccc1C	768412066	SFDQWMCPVQMBOW-UHFFFAOYSA-N	424.595	5.506	30	20	HKED	
COc1ccsc1C(=O)/C=C\c1cc(Br)c(OC(F)F)c(OC)c1	769745028	VXBKGQTXQGEKGT-ARJAWSKDSA-N	419.243	5.025	30	20	HKED	
COc1ccsc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	769745204	ZQKQRMUYLVHUFE-VMPITWQZSA-N	418.927	5.447	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	775353880	XMXQLVWRHSRLEB-OXQOHEQNSA-N	416.550	5.075	30	20	HKED	
C#CC[C@H](NCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1	775399287	QTVZLVWNOYJAAE-QFIPXVFZSA-N	403.551	5.299	30	20	HKED	
COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4ccccc4s3)CCCC2)cc1OC	777294972	LBCFYCXRXLTPSK-MRXNPFEDSA-N	406.507	5.002	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2N2CCCCC2)cc1	778257215	UBCHQRWSNMKGLE-VWLOTQADSA-N	424.548	5.654	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc2cc(F)ccc2s1	781469413	LEFCHSROTKEZMM-CQSZACIVSA-N	422.378	5.501	30	20	HKED	
N#Cc1cccc(COc2ccc(NC3CCN(c4nccs4)CC3)cc2Cl)c1	781529118	GZOMVDFSGCZURV-UHFFFAOYSA-N	424.957	5.328	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)nc1	782077704	RONKPIYKLARWAN-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1	792546909	FQACXVBQYMIFJC-ZDUSSCGKSA-N	407.297	5.328	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CC1CC(c2ccccc2)C1	798733997	DGQJACWGTUIYPX-PGYGNJIDSA-N	422.550	5.146	30	20	HKED	
C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1	802565975	SZBCSFJEEPVEHK-UHFFFAOYSA-N	412.541	5.090	30	20	HKED	
Cn1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1-c1ccccc1	806201062	SLGUQUCONJRRQE-QFIPXVFZSA-N	407.477	5.387	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1	806401884	WAGRZIYIJZMHIY-AWEZNQCLSA-N	401.869	5.214	30	20	HKED	
Cc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccco1	901379514	DPEALHOCSVJEDK-UHFFFAOYSA-N	419.264	5.179	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CSc2nc(C)cs2)cc1	914481937	HFJANEOYIHXNNM-UHFFFAOYSA-N	421.591	5.668	30	20	HKED	
FC(F)(F)c1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc1Cl	914786091	MHGLGWXZAOKTNJ-BQBZGAKWSA-N	414.699	6.075	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OC)c1	915085973	GKXGVUMSFPNHLH-QHCPKHFHSA-N	412.489	5.097	30	20	HKED	
Cc1cc(C)c(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Cl)c1	915124527	NKERCNZFWUSZBF-HXUWFJFHSA-N	405.954	6.421	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)cc(C)c1OCc1ccccn1	915992786	BGZSLJYAGGHZGH-POHAHGRESA-N	412.489	5.058	30	20	HKED	
CCOc1cc(/C=C2\CSc3ccc(F)cc3C2=O)cc(Br)c1O	916128708	XXZDYQRJNANEBQ-VZUCSPMQSA-N	409.276	5.065	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916883345	JMJDANVIKYYOCA-KRWDZBQOSA-N	402.466	5.260	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1	916889090	BGTANDGGBRFXDD-KRWDZBQOSA-N	410.882	5.038	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COc2c(Cl)cccc2Cl)cc1	916955582	RUMKQRBYGVIYPR-CZUORRHYSA-N	419.308	5.233	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	920078369	UEFSPGYQNUQOQU-UHFFFAOYSA-N	416.506	5.426	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)n2)cc1	920139149	NZRNQSVCHJDWFD-IIAWOOMASA-N	408.445	5.364	30	20	HKED	
Cc1nn(C)c2nc(Cl)c(C=NNc3c(Cl)cc(Cl)cc3Cl)cc12	920355590	DBJQAJVRXMWFSI-UHFFFAOYSA-N	403.100	5.336	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)C3(c4cccc(Cl)c4)CC3)CCC2)cc1	1791587957	XMNXRRSYPJMHEY-UHFFFAOYSA-N	408.929	5.082	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](F)c3ccccc3)CCC2)cc1	1791726407	SZYGUQCUUNQROL-QHCPKHFHSA-N	406.501	5.025	30	20	HKED	
N#Cc1cccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1	7265552	CBUWVINHORIDCA-UHFFFAOYSA-N	421.566	5.132	30	20	HKED	
CN(Cc1ccccc1NCC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1	7977006	XQAHUHVXBZVGOK-UHFFFAOYSA-N	410.949	5.027	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1	11265384	VUWJNNDVQDREQL-UHFFFAOYSA-O	419.570	5.416	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2c(C)cccc2C)cc1	22694014	CTHKYJOTJCZZKL-UHFFFAOYSA-O	423.627	5.964	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)cc1	22730947	INGCMZYJGNVFKF-UHFFFAOYSA-O	421.611	5.582	30	20	HKED	
Cc1nc(NC(=O)CCc2ccc(-c3ccccc3F)o2)sc1SCC#N	44789325	QWSFWSHDNZYBII-UHFFFAOYSA-N	401.488	5.038	30	20	HKED	
COc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1C	54282263	JVTGBGJFTAABNJ-UHFFFAOYSA-N	402.519	5.098	30	20	HKED	
C=CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)c1nc(-c2ccccc2)cs1	58186115	BZBWLIWGKNHSEU-UHFFFAOYSA-N	402.523	5.229	30	20	HKED	
COc1cc(Br)c(/C=C/C(=O)c2ccc(SC)c(OC)c2)cc1OC	60245376	ZRGQGNSIBBNENM-FNORWQNLSA-N	423.328	5.093	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1	236899609	SEWXXDAGXUBNTC-XMMPIXPASA-N	411.505	5.108	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(-c2ccncc2)cc1	237454046	DGLWNDCETCVSCP-OAQYLSRUSA-N	419.528	6.050	30	20	HKED	
COc1ccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)coc2c1	301764701	RKPIQPVPNWWFLW-GOSISDBHSA-N	422.893	5.637	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1	428173430	ZGAHIVWIJRLBLN-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	429835647	BSSMBJQFDHBEJM-UHFFFAOYSA-N	411.486	5.601	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1	431977810	PZNHAUVNBKLWOV-HXUWFJFHSA-N	415.468	5.820	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)cc1	433275101	XKLPQHICSXZXID-SANMLTNESA-N	417.553	5.005	30	20	HKED	
COc1cc(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc(OC)c1	437465856	GTHJBDUEZXGWKO-UHFFFAOYSA-N	420.440	5.078	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12	439215660	NHBPWSMHSGVZOA-RPLLCQBOSA-N	408.501	5.288	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1	444009583	MQUXAOVZMIZLNP-MRXNPFEDSA-N	416.502	5.270	30	20	HKED	
COCCc1cc(O)ccc1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	444908830	GPZQVPQCLFLAMF-UHFFFAOYSA-N	421.428	5.028	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cc3c(cc2Br)CCC3)C2CC2)cc1	446423412	UMXXMNVTCNUGRR-UHFFFAOYSA-N	410.315	5.006	30	20	HKED	
CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)[C@@H](C#N)c1nccc2ccccc12	447631988	BZSHYQASITWBGH-SFHVURJKSA-N	400.869	5.331	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1	462838803	FZZGZKOYYLKBBW-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3c(c2)CCCCC3=O)cc1	463460515	HIZCKNLXQIQXMI-UHFFFAOYSA-N	424.500	5.493	30	20	HKED	
C[C@@H](C(=O)N(CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1	463875476	XQJWIRISWJYMBW-GFCCVEGCSA-N	411.221	5.020	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1	464367735	SZJZPUYDPUJFOC-FQEVSTJZSA-N	414.553	5.233	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)s1	464413844	YDNOWCXFNDSTQT-HNNXBMFYSA-N	401.413	5.331	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1C	467429143	VPFZWMGNCPWOOJ-SFHVURJKSA-N	410.477	6.191	30	20	HKED	
C[C@@H]1SCCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@H]1c1ccccc1	469413874	KPUZNPPFPJFMOL-FDDCHVKYSA-N	403.551	5.264	30	20	HKED	
Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cnn1C1CCCC1	470164566	ZTIRPLYDOAISPE-UHFFFAOYSA-N	402.523	5.582	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1	470546418	LPXPIWBRUOVPGE-FQEVSTJZSA-N	424.932	5.196	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c(F)ccc(F)c3F)cc2Cl)c1	475346653	ORDIYISBFWBUEP-UHFFFAOYSA-N	416.786	5.460	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1	475739999	YQBNGYKDXNKPDY-UHFFFAOYSA-N	406.555	5.219	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1	475804176	GOXIQTVYYBTRNI-QGZVFWFLSA-N	408.548	5.407	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1	476123841	QPOXUXIDKREXOU-SFHVURJKSA-N	410.583	5.546	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)o1	480168588	NAWJGSBVSSTNND-UHFFFAOYSA-N	406.413	5.053	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1nccc2ccccc12	483211485	OWOFMWPXSKZBLE-OAHLLOKOSA-N	405.816	5.481	30	20	HKED	
N#CC[C@@H](CC(=O)N(c1ccccc1)c1ncccc1Br)c1ccccc1	483794981	RFSNLHFSMYNKRL-SFHVURJKSA-N	420.310	5.596	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1NC(=O)NC(C)(C)C	487367760	CKVXNXQSSWCOFR-FQEVSTJZSA-N	406.530	5.080	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1	487599892	BSEIFHVMYOTPSM-OAQYLSRUSA-N	400.478	5.246	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)ccc1F	489676891	HZOXQJGSLLTTHN-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
Cn1cc(CNc2ccccc2COCc2ccccc2)c(-c2ccc(C#N)cc2)n1	490354919	NJQNWXFIYDMNLL-UHFFFAOYSA-N	408.505	5.288	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4c(F)ccc(F)c4c3)n2)cc1	496027993	JOVFZEQLBYBEPH-MRXNPFEDSA-N	405.429	5.435	30	20	HKED	
CC(C)(C)c1nc(CCNC(=O)c2ccccc2Sc2ccccc2C#N)cs1	498616153	YYKMBWWMUIANPU-UHFFFAOYSA-N	421.591	5.436	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1	499319073	JZFCRUVBYDDQII-XMMPIXPASA-N	416.500	5.050	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@](C)(C#N)C(C)(C)C)cc1	499468992	HSBGBYOIMJMHEB-VWLOTQADSA-N	403.526	5.221	30	20	HKED	
CCn1c(Cc2ccccc2)nnc1Sc1cc(C)c(C#N)c2nc3ccccc3n12	502104074	FSBUTLVDXVLORS-UHFFFAOYSA-N	424.533	5.021	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4)nc3)n2)cc1	503448004	MAIIYXDBKPYFGP-FQEVSTJZSA-N	422.469	5.359	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)c2cccc(F)c2)cc1	503540625	UYQACCZDFVREEZ-UHFFFAOYSA-N	416.452	5.072	30	20	HKED	
N#Cc1ccc(CN2CCC(Nc3ccc(F)cc3OCCC(F)(F)F)CC2)cc1	504582851	RISKFGDQIZQRPM-UHFFFAOYSA-N	421.438	5.105	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1	505238549	JUSQSJKTPUNNKB-OAHLLOKOSA-N	422.978	5.658	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C#N)c1ccccc1Cl	505693960	JWQJKVSCRWUCHQ-HNNXBMFYSA-N	404.228	5.091	30	20	HKED	
N#CCCn1cc(CN(Cc2cccs2)Cc2cccs2)c(-c2ccccc2)n1	506040802	PHRHIEVMXSVVEG-UHFFFAOYSA-N	418.591	5.789	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C(F)(F)F)cc1	506641987	JBXJOKYVQKWFIV-FZKQIMNGSA-N	423.460	5.515	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1C#N	508093047	HMSJNNLMVZIMGY-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccccc2C)C1	508831578	DZKURIPGCYQVQO-XWGVYQGASA-N	414.553	5.012	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1ccc(C#N)cc1	509280242	SSGMQFMARXSYFL-UHFFFAOYSA-N	407.514	5.546	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)NC[C@@H](C)c1ccccc1	510174934	ZGDVJZJURWXWNL-MSOLQXFVSA-N	401.535	5.021	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCC(c3ccccc3)c3ccccc3)ccc21	513116648	IYTQQYHESAFNFJ-UHFFFAOYSA-N	409.533	5.514	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513955567	GNAGSIBMJBWHKH-UHFFFAOYSA-N	418.428	5.148	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	514220231	VIABUPNEPVITHM-HXUWFJFHSA-N	414.427	5.545	30	20	HKED	
N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)n1C1CCCCC1	514768716	MCFQTFXMWMUKTI-UHFFFAOYSA-N	421.526	5.036	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	515283985	MZPQKWJBGPGZQN-JWNTYJGQSA-N	421.541	5.470	30	20	HKED	
CCCCC1CCC(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	517527316	CQZWEBKUXOUPGC-VIQWUECVSA-N	415.603	5.132	30	20	HKED	
CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1	518139036	QQVBTHSGZQMERG-IBGZPJMESA-N	418.324	5.097	30	20	HKED	
CCc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N(C)C)cc1	518255919	JXXQPGQMOJPYJV-LAUBAEHRSA-N	410.587	5.068	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	518361372	DDDFZZYHONAOLU-LBPRGKRZSA-N	419.337	5.074	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	518374462	LBSGCWHMVNDHBC-INIZCTEOSA-N	404.441	5.184	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)cc1	518690259	ABFSSJKAFWYNBX-UHFFFAOYSA-N	402.281	5.434	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1	518758906	MXKONMCLQNOFHF-GAJHUEQPSA-N	421.591	5.460	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(Cl)c1Cl	519486569	PELWLHWBKFFFQP-OAHLLOKOSA-N	406.656	5.296	30	20	HKED	
C[C@H](COc1cccc(F)c1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	520364466	XLOBTQZRNDGTSS-QGZVFWFLSA-N	420.509	5.187	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc1Cl	520514223	AEOUSDNXUKTRRH-IBGZPJMESA-N	413.864	5.089	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	521043758	UCXCMHVGXNNSPG-AWEZNQCLSA-N	402.385	5.075	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCCC(C)C	521729364	HMHXAGSEYMKGGW-KRWDZBQOSA-N	412.555	5.624	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCOc2c(Cl)cccc21	521748078	KYAAOSXDMNNSCN-CZUORRHYSA-N	401.919	5.237	30	20	HKED	
C=CCc1cc(CNC(=O)N(CC)[C@H](C)c2cc3ccccc3o2)cc(OC)c1OC	522114678	FGKBFLUURSPDFU-QGZVFWFLSA-N	422.525	5.471	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCSC[C@H]3c3ccccc3)cc2)c1	523787806	VAQNZAWFEYNTDY-QHCPKHFHSA-N	415.518	5.673	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	524679996	DRCLYMGOLVXWSS-BJKOFHAPSA-N	419.484	5.949	30	20	HKED	
C=CCc1cc(CNC(=O)c2cc(-c3ccccn3)ccc2Cl)cc(OC)c1OC	534362057	LRRFWMZGJFMCOA-UHFFFAOYSA-N	422.912	5.078	30	20	HKED	
N#CC1(CCCNc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCOCC1	538612212	WLGHORWVRWIHDU-UHFFFAOYSA-N	404.432	6.010	30	20	HKED	
CC(C)(C)[C@@H](NCCC(=O)Nc1sccc1C#N)c1cccc(C(F)(F)F)c1	539301632	MITDOSHLEIJOPW-KRWDZBQOSA-N	409.477	5.344	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	542958935	PXRLIMCLEPEDGV-VBKZILBWSA-N	423.879	5.151	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(Cc3cccc4cccnc34)no2)c2ccccc21	545601042	BNPUBGDJOLVFKB-VAWYXSNFSA-N	405.461	5.247	30	20	HKED	
CCOc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc(Cl)c1O	545877219	CZBOTKKCBKHJBB-UHFFFAOYSA-N	423.856	5.064	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Nc3cccc4cc[nH]c34)cc2F)c1	547829731	BXVJKJLJQVMIAR-UHFFFAOYSA-N	400.413	5.402	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	552507466	KEAROPPWJTYMPK-UHFFFAOYSA-N	422.356	5.759	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(-c2cc3ccccc3o2)o1	553485627	CPQJHKJAUJWTOV-UHFFFAOYSA-N	424.363	5.471	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1	554714149	QQCLIMNCTSXKBZ-RDJZCZTQSA-N	406.835	5.723	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](CC)c2cccc(OC)c2)cc1	554750346	JRSICQYTLIKBAI-HSZRJFAPSA-N	421.541	5.124	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cc1	556309341	YJYNCMLLQWMYMW-UHFFFAOYSA-N	402.425	5.381	30	20	HKED	
N#Cc1ccc(CNCc2cnc(-c3ccc(Cl)cc3)s2)c(C(F)(F)F)c1	569175069	BGYWWELHIKVWLY-UHFFFAOYSA-N	407.848	5.644	30	20	HKED	
N#CCc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	570004954	LMEZJBPRNMDOFW-UHFFFAOYSA-N	400.265	5.286	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C#N)c1ccc(OCc2cccnc2)cc1	571429646	HBZBAEXQCQPAQE-MRXNPFEDSA-N	422.326	5.146	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Br)cc1F	573522460	MWLHMFYRWRJTEK-GFCCVEGCSA-N	404.283	5.272	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccc2ccccc2n1	592975339	BSARDYXFFACSQW-KRWDZBQOSA-N	420.440	6.055	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	602228132	AMMFKBKCZHPWDF-UHFFFAOYSA-N	410.502	5.228	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	603648433	VYIBOXHMXHUIDO-UHFFFAOYSA-N	412.518	5.423	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	607449968	ZPXUEPSUOJXHKL-LBPRGKRZSA-N	407.322	6.033	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccoc3)[nH]n2)cc1Cl	609164404	MXMMNQCASWJQGA-GOSISDBHSA-N	402.841	5.231	30	20	HKED	
N#CCn1c(C(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc2ccccc21	609216799	SCEMBQSUETZMJD-UHFFFAOYSA-N	400.869	5.060	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccccc1Cl	609371418	JUXIUPHONGOBAW-GJZGRUSLSA-N	404.988	6.167	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(nc2O)CCCC3)cc1Cl	609452747	PLEKHNCHMULEAI-FQEVSTJZSA-N	417.896	5.227	30	20	HKED	
N#C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C1CCCCC1	609648554	QEMRDYQPINUNPS-NRFANRHFSA-N	406.530	5.697	30	20	HKED	
COc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc(OC)c1	609722721	ZEPZPAXVUJMARZ-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1	609731422	OLFYGRXMIMLVQE-LJQANCHMSA-N	417.896	5.331	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(COc3ccccc3)cc2)c1C	610053764	VZJCPTKATSTREN-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccccc2SCCC#N)cc1	610174937	OESQANVLAORRMM-UHFFFAOYSA-N	409.555	5.248	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)c2)cc1	610961884	JVUWLDOETFYGCV-UHFFFAOYSA-N	404.376	5.348	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1nc2ccccc2s1	611211948	VWPJQGQCDACKMW-INIZCTEOSA-N	423.519	5.729	30	20	HKED	
CC(=O)N(c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1)c1ccc(C)cc1C	611386598	PHGBWWSMDVESHY-KRWDZBQOSA-N	404.539	5.167	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)C1	612313910	FGGYXPBIQNEDCO-OAQYLSRUSA-N	413.909	5.205	30	20	HKED	
Cc1cc(Br)oc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613319833	PXSXOOLPTVEFJW-LBPRGKRZSA-N	421.703	5.618	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1Cl	619827174	VRNKEYNKFHABBS-UHFFFAOYSA-N	407.823	5.105	30	20	HKED	
CCOc1cc(CNCc2cc(F)c(C(F)(F)F)cc2F)ccc1OC(F)F	673612362	KMXWCHXFYMUQSN-UHFFFAOYSA-N	411.317	5.274	30	20	HKED	
COc1cc(F)c(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	675164420	RGPKGEUAVYGQSV-BRPSZJMVSA-N	420.300	5.004	30	20	HKED	
CC[C@H](C)n1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	679237134	GBJZDXKNZSXBCF-GXFFZTMASA-N	406.433	5.281	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=S)NCCSc3ccccc3)c2)cc1	729157983	FVWANOYUENGCAU-UHFFFAOYSA-N	405.548	5.429	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cccc(O)c1	730149361	WAGUTENSVGPPOV-MDZDMXLPSA-N	400.297	5.483	30	20	HKED	
N#CCc1cccc(C(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)c1	730403941	DALDTDCHNRXFST-HNNXBMFYSA-N	416.168	5.115	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)c1ccccc1	730685040	GPZOWPCFEMQDFT-CJFMBICVSA-N	409.489	5.132	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	731199408	XVXKVNBCVAXVSJ-NRFANRHFSA-N	421.541	5.255	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccncc1	734235096	CUXUPKMKYDQIDR-QGZVFWFLSA-N	411.914	5.096	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(SC(F)F)cc1	734980197	IGNHPCNDAGMMRS-WTKPLQERSA-N	401.356	5.398	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	735745372	GLEQNDAMZMDMEK-SJCJKPOMSA-N	424.353	5.100	30	20	HKED	
N#C[C@H](C(=O)CC/C=C\c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	739154876	MLLBTTSFDKLKSK-YRRMMHPESA-N	410.473	5.620	30	20	HKED	
C=CC[C@H](NC(=O)NCc1ccccc1COc1ccccc1Cl)c1ccncc1	745827971	PJKLQKPXLGSGKK-QFIPXVFZSA-N	421.928	5.431	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl)c1ccncc1	745828880	WUZLULIBIPWSIY-GOTSBHOMSA-N	423.919	5.889	30	20	HKED	
COc1cc(Br)c(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc1OC	745990712	XBXIPHRJTDYNNR-FPLPWBNLSA-N	424.294	5.424	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c[nH]c4ccc(C)cc34)n2)cc1	747109993	LERAMYFMQUZNGP-FQEVSTJZSA-N	415.518	5.418	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	747406205	YFXMLMQRIZBODD-HYXAFXHYSA-N	414.305	5.256	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1	748044974	SDXNHUYBXRGUOJ-DEOSSOPVSA-N	405.457	5.782	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccccc2Cl)o1	749360971	CUTQPPFZAVXIRR-UHFFFAOYSA-N	401.853	5.349	30	20	HKED	
Cc1nc(CCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1	750693441	LNBSKGBBLNKKSI-ZDUSSCGKSA-N	403.479	5.052	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)C2CC2)cc1	753770172	ATTYVNKZWZJCQX-SFHVURJKSA-N	416.308	5.063	30	20	HKED	
CN(CCC#N)c1ccc(CNCCc2csc(-c3ccc(Cl)cc3)n2)cc1	758610823	VIHUAZVWAJWFIJ-UHFFFAOYSA-N	410.974	5.146	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)C(C)C)c1	759101246	HRHHANSROPOJCD-UHFFFAOYSA-N	402.519	5.345	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1OC	759873514	MVYLOPFHZRRJPA-FLIBITNWSA-N	404.466	5.184	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cc(Cl)cc3cccnc23)cc1	763157431	UPAJHDGNKPLNNE-UHFFFAOYSA-N	414.321	5.308	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(OCC(F)(F)F)c1)c1nc2cc(Cl)ccc2s1	763274769	VXNBADYZEDRLKA-CQSZACIVSA-N	424.831	5.310	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C	767153604	DEQTVNBXSTXDLU-UHFFFAOYSA-N	420.378	5.165	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1cccc(-c2cccnc2)c1)C(=O)c1ccccc1	768492519	HNCWRVNJNQLFST-LFVJCYFKSA-N	405.457	5.049	30	20	HKED	
N#C[C@H](C(=O)CCCC(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1	771261883	SCGMORMLTBCTJR-LLVKDONJSA-N	407.244	6.026	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(Br)n1	771454668	VOYABNOFPNMTBF-UHFFFAOYSA-N	422.282	5.263	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)cc2)CC1	776837341	ORCZGOQJOFYRKE-INIZCTEOSA-N	417.361	5.780	30	20	HKED	
CC[C@@H](NCc1cc(Cl)ccc1OCC#N)c1cc(F)cc(Br)c1	776838130	GKNSRYAAOBMCAZ-QGZVFWFLSA-N	411.702	5.385	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(OCc2cccnc2)cc1	777980846	KJVJXOPQJGIULX-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccc2ccccc2n1	781444349	JESWGYPOOIBPKO-OAHLLOKOSA-N	414.814	5.815	30	20	HKED	
CC(C)(C#N)CCOC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12	786323032	KIOHDRFNCUGKCS-UHFFFAOYSA-N	424.298	5.156	30	20	HKED	
Fc1cccc(F)c1[C@H](NCc1ccc(Cl)nc1C(F)(F)F)C(F)(F)F	787280123	FHWRELYCVZDICS-ZDUSSCGKSA-N	404.688	5.425	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)c2)cc1	790902993	SRTDAKOUXADQBL-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1	795624891	FXFWWBQOSBHVNN-FQEVSTJZSA-N	412.367	5.041	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1	795990885	MOWUENIATQAGDV-FQEVSTJZSA-N	420.896	5.445	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1	797568704	LJIPSSJPMYYFFX-MRXNPFEDSA-N	413.543	5.207	30	20	HKED	
CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1OCC#N	799220501	LODPTTOJRYWAKJ-UHFFFAOYSA-N	401.869	5.382	30	20	HKED	
O=C(Nc1cccc(Cl)c1OCC(F)F)c1cc(F)c(C(F)(F)F)cc1F	807729954	YRJOFAXIRRATOK-UHFFFAOYSA-N	415.692	5.533	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(Nc3ccccc3)s2)cc1	855084700	BFGMTWOZNJOUIJ-INIZCTEOSA-N	423.567	5.018	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2O)cc1	915862069	IRXKZVAOIHNAEP-QHCPKHFHSA-N	405.457	5.362	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C/c3ccc(-c4nc5ccccc5s4)o3)ccc2N1	915992894	FFYUIJMJTALVFZ-JXMROGBWSA-N	400.459	5.337	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)/C=C/c2cnc3ccccc3n2)cc1Cl	916057641	UWZNIEYKBRPFSV-ZOXUKVPXSA-N	424.891	5.591	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccccc3)n2)cc1	916948599	IBOCPKOWCVUVGH-OXJNMPFZSA-N	417.534	5.209	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1	916949313	NVCUZJJQKYJUMS-OPAMFIHVSA-N	404.510	5.127	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	920003961	YCABIKXUMVNGCX-FQEVSTJZSA-N	401.853	5.150	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(C)c4)CCC3)n2)cc1	920141854	IERCNJASWCIGLZ-HXUWFJFHSA-N	402.519	5.425	30	20	HKED	
Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1	1787886729	QHJIRZDDXYWVET-GHRIWEEISA-N	419.550	5.039	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1	1830059358	FCRNEERNXKFKFK-GBXCKJPGSA-N	410.602	5.256	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(C)cc2C)cc1	10168512	ISZZEFGVXWGJLD-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C	22132640	ODEOIDMZBMKKPY-AUQXIXNCSA-N	405.523	5.098	30	20	HKED	
CCN/C(S)=C(\C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(Cc2ccccc2)cc1	22686473	KHOIAFOBDLDALT-UHFFFAOYSA-O	417.598	5.038	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2	25030933	VBQCBPTZWNODMO-UHFFFAOYSA-N	402.475	5.123	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	46861774	BYYWFWPCRHTTCZ-IBGZPJMESA-N	406.869	5.265	30	20	HKED	
O=C(c1ccccc1)C1CCN(C/C(O)=N/c2nc(-c3cccs3)cs2)CC1	52412587	RZAIUXIUVPFIOX-UHFFFAOYSA-N	411.552	5.055	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1	56720308	LRFPIYFPELPYPZ-DEOSSOPVSA-N	415.468	5.280	30	20	HKED	
CC(=O)CCc1ccc(OCCC(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	58694256	PFRIQUPRZJFMGZ-UHFFFAOYSA-N	424.566	5.208	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1	108822845	ZHLVTVJLJUTSKA-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	195557414	MTZRFDPLUNFQOE-KRWDZBQOSA-N	402.404	5.292	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1cc(F)ccc1F	303174519	JUFOQYMPBVKDFD-UHFFFAOYSA-N	406.432	5.295	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccccc1Cl	303458023	MYLSFUSYLLHPMK-CQSZACIVSA-N	410.930	5.338	30	20	HKED	
Cc1ccn(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)n1	433249008	UXSJQXVMQYPKEF-UHFFFAOYSA-N	415.497	5.033	30	20	HKED	
COc1ccc(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c(C(F)(F)F)c1	433259817	XMLQYHGKAMZPEG-AWEZNQCLSA-N	410.289	5.120	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(O)c(F)c3)cc2Cl)c1	436531332	PMBGZCPBTZCRPB-UHFFFAOYSA-N	414.795	5.027	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C	438447853	WDCGMUUKJMNIJE-RDGATRHJSA-N	422.569	5.263	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	438673173	SSGVTFNYRYJHBO-IBGZPJMESA-N	421.497	6.229	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cnn1-c1cccc(C#N)c1	439686888	UWPHISRTROHSRY-HTAPYJJXSA-N	417.513	5.295	30	20	HKED	
N#Cc1cc(NC(=O)Cc2ccccc2O)ccc1Oc1ccc(C(F)(F)F)cc1	440329656	VZGBNHJPWGOZHR-UHFFFAOYSA-N	412.367	5.256	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)c2ccccc21	444305215	YWQDDUNHTRKPPM-NZQKXSOJSA-N	405.542	5.089	30	20	HKED	
C=CCn1c(S[C@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccc(C)cc1	446068499	FJMNRYDIBYHCKI-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1	462910134	CLFKRWFWQAGCQJ-CYFREDJKSA-N	416.452	5.140	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4cc(Br)ccc43)ccc21	469152281	UOOIDOYXDMYUBL-HXUWFJFHSA-N	424.342	5.131	30	20	HKED	
CN(C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1	469302205	PUTNMRLLGZHFBF-OAHLLOKOSA-N	408.317	5.684	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccccc3Oc3ccccc3Cl)o2)cc1	471623195	YMKRPEGKEMSDFX-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
Cc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1OCC1CCCCC1	473812188	YQNPQPOINNHDKV-UHFFFAOYSA-N	406.530	5.297	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)n1	474431318	HEONSQOZEXZYKN-INIZCTEOSA-N	419.535	5.066	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c2)cc1	475251781	BWEROGKQSZWMMI-UHFFFAOYSA-N	414.505	5.465	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1	475557446	BKZQDDPKCNWOFF-SFHVURJKSA-N	402.542	5.915	30	20	HKED	
C=C(C)[C@H](NCc1nc(-c2cccc(Br)c2)no1)c1ccc(F)c(F)c1	481614360	ZFVKFGWHWDYSMK-SFHVURJKSA-N	420.257	5.184	30	20	HKED	
C=C(C)[C@H](N[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)c(F)c1	481625243	WBVICWOEQZGXPO-ZHRRBRCNSA-N	424.495	5.001	30	20	HKED	
CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	482934611	VRZTVFISDAWDRJ-OFNKIYASSA-N	421.541	5.047	30	20	HKED	
CCc1cc(O)ccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	484198950	OYGOSGOGTIHZOI-UHFFFAOYSA-N	401.466	5.244	30	20	HKED	
C=CCn1c(SCc2nc(O)c3cc(Cl)ccc3n2)nnc1-c1ccccc1C	488914197	QBBGLLYNJNAAFZ-UHFFFAOYSA-N	423.929	5.034	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)c(C#N)c3)c12	494710711	YIAXOZXHGGLBSE-UHFFFAOYSA-N	407.905	5.150	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)oc2c(C)cc(Br)cc12	494878607	OSRAAYXMYLKWBX-OAHLLOKOSA-N	422.282	5.189	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(Br)cc1	499430167	FZNRXXNJVVBZLD-ACRUOGEOSA-N	405.295	5.087	30	20	HKED	
N#C[C@@H](C(=O)c1coc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	503520515	GNWZOYBXCZCUGP-AWEZNQCLSA-N	413.285	6.353	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	504907740	GQOPFPYRNKGTFI-SJLPKXTDSA-N	421.394	5.070	30	20	HKED	
Cc1nc(SCC(=O)N(Cc2ccsc2)c2ccccc2)c(C#N)c(C)c1C	505346802	YFJKNBWCBVBYHQ-UHFFFAOYSA-N	407.564	5.266	30	20	HKED	
C[C@@H](N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)C(=O)Nc1ccccc1C#N	511403142	DFMIUBFVIWVXTH-UZUQRXQVSA-N	403.913	5.112	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C2CC2)cc1	511567386	PPPVZHBOUBCQBA-IBGZPJMESA-N	405.395	5.065	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1	512320422	BELMZDYVGZLGBQ-UHFFFAOYSA-N	406.869	5.409	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C	513303846	OSALHFNBTNJMGP-UHFFFAOYSA-N	401.466	5.843	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSC2CCCCC2)n1	513670717	APHCCUSXCQRXGX-QGZVFWFLSA-N	410.564	6.254	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OCC(F)(F)F)cc1	518682952	BHIGTSBKCSYRED-AWEZNQCLSA-N	423.460	5.201	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(OC(F)(F)F)cc1	521747862	CDBJBOXPCVKCBM-AWEZNQCLSA-N	423.460	5.201	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccco1)c1ccccc1C#N	523114951	FUXIIWPLDMPZSB-MRXNPFEDSA-N	412.411	5.582	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@H](C)c2oc3ccccc3c2C)cc(OC)c1OC	523650335	VFKYZPMYEXKXKV-MRXNPFEDSA-N	408.498	5.047	30	20	HKED	
CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1cccnc1	523768335	NZXLJFIBCVBUPY-HTAPYJJXSA-N	418.928	6.005	30	20	HKED	
C=CCOc1c(Br)cc(CNC2(c3nccs3)CCCC2)cc1OC	523862837	BBKKECDVFALBSX-UHFFFAOYSA-N	423.376	5.038	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1	525235734	RUWHDOZMUPSADB-AWEZNQCLSA-N	405.420	5.145	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1NC(=O)Nc1ccccc1	525514181	JTRMTIICXYVFEA-SFHVURJKSA-N	409.449	5.005	30	20	HKED	
CC(C)c1ccc(-n2ccnc2SCc2nnc(-c3cccc(C#N)c3)o2)cc1	525625088	PPRRHJIVNBUXQK-UHFFFAOYSA-N	401.495	5.210	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N[C@](C)(C#N)CCc2ccccc2)cc1	533504407	IEFXSQHHBSHWAU-DEOSSOPVSA-N	403.551	5.001	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1cc(Br)ccc1F	533941113	GLQMBCXJDUZFDX-ZDUSSCGKSA-N	421.335	5.411	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(Cl)c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2	537114492	UBKUHRTUQUPNTK-MNOVXSKESA-N	408.354	5.093	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)c1ccccc1	537223013	DSRITNFSTAJQSD-XMSQKQJNSA-N	409.599	5.365	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C2CCOCC2)cc1Cl	538619757	QZTLMESBXNLHKV-GMAHTHKFSA-N	423.944	5.418	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)cc1OCCCC#N	538780640	KAAMWYDZXACVBZ-IBGZPJMESA-N	418.512	6.035	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1	553055197	WONXRWBUWUMKIG-VXKWHMMOSA-N	402.494	5.276	30	20	HKED	
CCN(C)C(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	554169847	JQRCGMWRPMTTFD-UHFFFAOYSA-N	413.477	5.003	30	20	HKED	
COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1C	565793384	TXFWVHPEOVRWSM-UHFFFAOYSA-N	418.518	5.429	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC1C[C@H](C)O[C@@H](C)C1	570405462	YOYUONDPLWSZRI-ROUUACIJSA-N	407.514	5.374	30	20	HKED	
C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	572414131	IVYASCQUAXZVCY-UUOWRZLLSA-N	412.493	5.751	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	575604552	XRNDJRQBKRGQMM-ZTNFWEORSA-N	413.518	5.262	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CC=C(c2ccc(Cl)cc2)CC1	576909815	JPNXCPCUDJSWOH-UHFFFAOYSA-N	420.944	5.128	30	20	HKED	
CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)n1	588751749	YIFJEVGQXAAOJI-UHFFFAOYSA-N	422.488	5.081	30	20	HKED	
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1C(F)(F)F	590334621	GEMKVDFAHMTNGI-UHFFFAOYSA-N	410.289	5.407	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1	601187326	KELNJHFPMXTTTF-XMMPIXPASA-N	411.505	5.249	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(Cn3cccn3)c2)cc1	603594434	OJFIYXHUEGLDQB-UHFFFAOYSA-N	424.529	5.348	30	20	HKED	
N#Cc1ccsc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	603597718	SNEPVAXLAHTBGJ-UHFFFAOYSA-N	416.289	5.431	30	20	HKED	
CCOc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1OC	603992073	YYCNJCOFDKEQLP-UHFFFAOYSA-N	404.491	5.045	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCOc4c(Cl)cccc43)cn2)c1	604362076	GAOGLJGOKDDFSJ-IBGZPJMESA-N	420.856	5.044	30	20	HKED	
CCOc1ccccc1[C@H](CC)NC(=O)c1occc1COc1cccc(C#N)c1	608807792	PIMFAOWHAFYXQG-NRFANRHFSA-N	404.466	5.010	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccccn1	609079210	OYPUWAZYVFQMIJ-DEOSSOPVSA-N	412.493	5.210	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	609208216	JCNGAZVCGSESRO-QGZVFWFLSA-N	422.485	5.029	30	20	HKED	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	610014609	FUDWZHCLFNAUSW-WBVHZDCISA-N	417.431	5.218	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610321046	DVGHMLIRTIAAIQ-ZHRRBRCNSA-N	416.456	5.500	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@H]2[C@H]3C(F)(F)F)c1	610494586	HPYIIAZLSNVUHM-KKXDTOCCSA-N	406.791	5.027	30	20	HKED	
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	611187302	DGHOSNWTLYYYSG-FQEVSTJZSA-N	420.900	5.023	30	20	HKED	
Cc1ccccc1CNc1ccccc1NC(=O)c1c(Cl)cc(C#N)cc1Cl	611870903	UDRNHPMDHMQCOO-UHFFFAOYSA-N	410.304	6.038	30	20	HKED	
C=CCc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC	613318304	WZOIPIBRPSPKTC-IBGZPJMESA-N	418.518	5.354	30	20	HKED	
CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCCC2	642117325	GDAWFNLFDPURBC-UHFFFAOYSA-N	416.930	5.152	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	679557106	XJFKIBIJTNLQSE-RKDXNWHRSA-N	418.309	5.084	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	679562437	OEFMZCSHPYIQCW-MWLCHTKSSA-N	404.301	5.535	30	20	HKED	
N#C[C@H](C(=O)c1cc2cccc(F)c2o1)c1nc2cc(C(F)(F)F)ccc2s1	682126985	DAIUYXZVFAOPMF-LLVKDONJSA-N	404.344	5.690	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1Cl	727627864	MVXFHCOXLHAPFU-UILAEWCASA-N	420.868	5.406	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cccc2ncccc12	728062338	JGPSVWMNTCWELW-GOSISDBHSA-N	422.488	5.125	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1	728480079	BOGQJMGHUXPROG-UHFFFAOYSA-N	400.425	5.477	30	20	HKED	
C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1Cl	728668319	SRVNYGMUWMMQKS-HNNXBMFYSA-N	420.852	5.188	30	20	HKED	
C[C@H](NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1	730954546	CFMGKGHBMYNASV-ZDUSSCGKSA-N	409.502	5.759	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)CCC3)cc1	731679050	VMIDREIVPZRZCN-KKSFZXQISA-N	419.550	5.277	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1	731848059	QAVSRSIASBIJEW-GOSISDBHSA-N	423.582	5.170	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccsc1	732046059	QPBVJWHATNTCEA-HXUWFJFHSA-N	408.548	5.385	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OC	733228550	LAKKUOKYUXWTAF-NRFANRHFSA-N	424.516	5.034	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(C)c(Cl)c2)ccc1OC	733627286	IAUKKGPHZMRKJV-OAHLLOKOSA-N	422.312	5.313	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1	734082468	BVXIMUUVZTUNHF-SFHVURJKSA-N	416.531	5.056	30	20	HKED	
C[C@H](Oc1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cn1)c1ccccc1	735343301	DKAPLWZKUALXFJ-INIZCTEOSA-N	422.868	5.134	30	20	HKED	
CC(C)N(Cc1cccc(F)c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740483594	SSOBGFQNOAVFHQ-UHFFFAOYSA-N	407.514	5.546	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccco3)C3CCCC3)c2)s1	740483948	FRCPLVLRFZQBGU-UHFFFAOYSA-N	405.523	5.534	30	20	HKED	
O=C(/C=C/c1cc2c(cc1Br)OCO2)c1cccc(-c2ccncc2)c1	741473147	MMABHJPGWXTCOX-SNAWJCMRSA-N	408.251	5.136	30	20	HKED	
Fc1ccc2oc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)cc2c1	741759761	XRAHYIOEEBNTMC-UHFFFAOYSA-N	407.257	5.308	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(OC(F)F)c(Cl)c1	741840657	BGUBVODLMSLRAW-ALCCZGGFSA-N	400.780	5.002	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@H](Cc1ccccc1)c1ccccc1	741915837	UMUQVMAOIVQCRQ-VWLOTQADSA-N	419.528	5.538	30	20	HKED	
Cc1nnc(-c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)o1	741946652	PVFFTBQLUOXEHP-UHFFFAOYSA-N	410.433	5.156	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)cc1OC	741995339	MDMSGESKCOMFHC-XFFZJAGNSA-N	423.406	5.003	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ncc([N+](=O)[O-])cc3C#N)cc2)cc1	742463864	TZSXEIJDYSAANJ-UHFFFAOYSA-N	416.437	5.204	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1	744032062	BKJQWMDDHCAPOR-KSSFIOAISA-N	422.554	5.233	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)ccc1OC(F)F	744444156	RKGRWRGMUCDTIW-NSHDSACASA-N	423.803	5.112	30	20	HKED	
C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)c1)C(=O)O	745020454	FKJQPXYJAWVUJG-FPAJZGIOSA-N	419.458	5.304	30	20	HKED	
C=CCOc1ccccc1C(=O)O[C@@H](C)c1ccccc1NC(=O)c1ccccc1	748022099	XXCVAQGWLBKHPV-SFHVURJKSA-N	401.462	5.422	30	20	HKED	
Cc1noc(C)c1[C@@H](C)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	750399215	ZFYUOAKBXYRZFN-OPPSRSHTSA-N	409.555	5.196	30	20	HKED	
COc1ccc([C@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	750685980	ANJFNXRVMKDZAT-KUHUBIRLSA-N	410.926	5.842	30	20	HKED	
C/C(=C/c1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	750689917	NUSHAIHAGNOIMO-MEODZPNASA-N	404.388	5.734	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12	751339037	ZSFPJDXHNYFQDF-HNNXBMFYSA-N	422.326	5.286	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@H](CC)c2ccc(Cl)s2)cc1C#N	752295551	VYGHBOFIYVLQCV-CYBMUJFWSA-N	406.895	5.114	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1cc2cc(Br)ccc2o1	753140556	CJEPENWWCJNQEM-NSCUHMNNSA-N	411.280	5.610	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCOc2c1ccc(Cl)c2Cl	753141475	HOZANXJRHDDXMS-FMIVXFBMSA-N	403.290	5.561	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccccn3)ccc2Cl)c1	754847857	NDFKQMMENYXDRM-GOSISDBHSA-N	405.885	5.013	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	756244556	VAJGFSWNJRGMPJ-ABAIWWIYSA-N	404.919	5.693	30	20	HKED	
Cc1ccc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc2n1	759205762	KYKVJVARKIHWRC-NRFANRHFSA-N	421.456	5.297	30	20	HKED	
CC(C)c1ccc(-c2ncc(CON=Cc3ccc(-n4cncn4)cc3)s2)cc1	759762942	ZMEYJIVLGUWXBY-UHFFFAOYSA-N	403.511	5.065	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1SCc1ccccc1	761618549	PNAKCZWTEIBIRI-UHFFFAOYSA-N	402.523	5.322	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(c3ccccc3F)CC2)c1=S	765001884	KRPIAZCCWOESRL-UHFFFAOYSA-N	423.561	5.028	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2cccc(NC(=O)c3ccccn3)c2)cc1	765251230	NLZPSZPFARPTDD-SFHVURJKSA-N	421.928	5.316	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1	766409554	WWVJNDBRHTUKIS-VAMGGRTRSA-N	406.407	5.502	30	20	HKED	
C#CC[C@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	767250049	HTMLOMKEVGBFLK-GMAHTHKFSA-N	403.913	5.083	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1Cl	768773621	WRHYVQZKPRSNNN-NSHDSACASA-N	414.708	5.316	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CO2	770846386	IJYNQMVDIRJZER-MSOLQXFVSA-N	408.910	5.433	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(Cc3ccccc3)nc2C)c1	772984241	ONPCZEFBQSCULD-LAUBAEHRSA-N	405.567	5.574	30	20	HKED	
CCOc1ccc(Cl)cc1[C@H](C)NCc1ccc(OC)c(O[C@H](C#N)CC)c1	772986670	QBHNSWCWUIZJDG-YJBOKZPZSA-N	402.922	5.279	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1	776751105	AVAVGIJMQBGDDF-UHFFFAOYSA-N	408.335	5.426	30	20	HKED	
N#CC1(c2ccc(COC(=O)CCC(=O)c3cc(Cl)sc3Cl)cc2)CC1	777346402	LYWFEFDIIISNIX-UHFFFAOYSA-N	408.306	5.316	30	20	HKED	
COCc1cc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC	782776959	DJQZJHJEPMIVFR-OALUTQOASA-N	400.522	5.792	30	20	HKED	
O=C(O)[C@@H]1CCC(=NNc2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21	789021317	VNXCCTJBBBZHCW-CYBMUJFWSA-N	405.401	5.093	30	20	HKED	
COc1cc(OC)cc(Oc2ccc(CNCc3ccc(O[C@H](C)C#N)cc3)cc2)c1	790600579	DWPIRMYKUUHSFS-GOSISDBHSA-N	418.493	5.077	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nccc2ccccc12	792091128	JLVLFGRTZOPFNF-CYFREDJKSA-N	406.485	5.469	30	20	HKED	
O=C1/C(=C\c2ccc(Sc3ccccc3)cc2)CCc2c1cnn2-c1ncccn1	792917621	OLCLQQKZJMYNMH-SDXDJHTJSA-N	410.502	5.026	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C	798028940	YOGWTAHASIJYHN-UHFFFAOYSA-N	414.465	5.034	30	20	HKED	
CCCCCCC[C@@H](C)CNC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1	806499737	SUFAKOAQVVZQPI-QUCCMNQESA-N	420.598	5.197	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2cc(Br)cc(C(F)(F)F)c2)no1	809437613	WFILJRWCETWOHB-UHFFFAOYSA-N	424.176	5.087	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1	810261158	BJZLLUMIGIQXSO-DNQXCXABSA-N	419.569	5.571	30	20	HKED	
N#Cc1ccc(C=NNc2c(F)cc(F)cc2Br)c(C(F)(F)F)c1	811642975	NIWDXBFJPLQSJL-UHFFFAOYSA-N	404.136	5.064	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Cl)ncc1Br	812918957	DITPRICJDDBQLJ-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccnc1SC(F)F	914766469	KARVEAMPFBKHGE-YUMQZZPRSA-N	422.341	5.036	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)nc2ccccc21	916844069	USTFJCAGJJENCT-KRWDZBQOSA-N	411.427	5.280	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccccc3F)o2)cc1	916914811	VLOOXSYQWWFGAK-LJQANCHMSA-N	404.441	5.389	30	20	HKED	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	916915784	JQMSVXDHMKKRAT-AUUYWEPGSA-N	408.910	5.321	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2cc(C)ccc2C)cc1	916954628	JMUXLEPSUYVDHP-VGOFRKELSA-N	404.510	5.127	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)OCc2csc(-c3cccs3)n2)o1	917327315	HVIAZEBMZUQBJD-UHFFFAOYSA-N	422.487	5.272	30	20	HKED	
N#CCOc1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1	921146732	FLEHKYDAKQBKGZ-UHFFFAOYSA-N	404.278	5.272	30	20	HKED	
Cc1ccc(CN(Cc2ccc(C#N)cc2Cl)c2ccc3nc(O)[nH]c3c2)cc1	1191782141	ZHZAHFIKNXTKTM-UHFFFAOYSA-N	402.885	5.309	30	20	HKED	
CSc1nc(O)c(C(=O)N(C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)cc1C#N	1533451303	UHKWBMRIOQCTGW-ICSRJNTNSA-N	413.587	5.124	30	20	HKED	
CC1(C)CCc2nc(O)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2C1	1542433747	MVLHCHRZKRJJDM-UHFFFAOYSA-N	413.477	5.218	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)nc3)cc2)CCC1	1786940078	DKMTUHWAIRGMPT-UHFFFAOYSA-N	419.569	5.059	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1	1791589228	MYYOINUXBHIUKR-UHFFFAOYSA-N	419.912	5.212	30	20	HKED	
N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CCC1	1792166133	IGAQCKZWMZPWHV-UHFFFAOYSA-N	409.489	5.015	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)cc1	10762716	QABSVJKFDRUHGA-UHFFFAOYSA-O	413.925	5.380	30	20	HKED	
Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3o2)n(C2CCCCC2)c1C	16623109	BSVQFKJCBYLHMI-UHFFFAOYSA-N	419.481	5.024	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)c1	28303725	RSAHBWXVOFYTHF-OAHLLOKOSA-N	407.461	5.145	30	20	HKED	
Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)ccc1Oc1cccnc1	72028798	CWRPIFAXNDJVJT-UHFFFAOYSA-N	418.522	5.105	30	20	HKED	
CCN(C(=O)c1cccc(OCc2cn3ccccc3n2)c1)[C@@H](C)c1ccc(C#N)cc1	108878937	TVTADARUSNUCQS-IBGZPJMESA-N	424.504	5.008	30	20	HKED	
CC[C@@H](C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	255949592	MQXGVOKBTGUARJ-BEFAXECRSA-N	422.579	5.470	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1	303161762	VICYPSWDZASGDG-UHFFFAOYSA-N	418.424	5.100	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)cc2)c1	303534280	RXHZHDSTRWEPLR-FGZHOGPDSA-N	404.416	5.158	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)CSCc2ccc(C#N)cc2)c1	303888972	RQHBYDXASKAIJG-UHFFFAOYSA-N	410.486	5.393	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1	303952425	ZKFJTFNYTWSQRK-HXUWFJFHSA-N	413.949	5.155	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccco1	426969391	URBYMLFVDDGAHL-XMMPIXPASA-N	413.477	5.066	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)s1	430580971	IGXKTCPTZLNOGC-OAHLLOKOSA-N	409.536	5.244	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1	434163561	NJSZSEHLKQYBSQ-HNNXBMFYSA-N	419.403	5.165	30	20	HKED	
Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12	435388514	GEIDWPFMBMYNRO-IBGZPJMESA-N	403.869	5.156	30	20	HKED	
COc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1O	436325587	BWFPNGNRYWFLMW-UHFFFAOYSA-N	409.829	5.362	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)Nc1ccc(C#N)cc1F	438862231	UXFUXFJVSBCBMV-UHFFFAOYSA-N	411.502	5.008	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(F)c(Br)cc1Cl	439623332	GRVSFXWMNWBBPP-UHFFFAOYSA-N	422.685	5.333	30	20	HKED	
CCCc1c(NC(=O)N[C@@H](c2cccs2)C2CC2)cnn1-c1cccc(C#N)c1	439679399	VUBUNFWJAGEEEM-OAQYLSRUSA-N	405.527	5.031	30	20	HKED	
CCCc1c(NC(=O)c2cccc(Br)c2C)cnn1-c1cccc(C#N)c1	440083540	XXBPRPUAJWPWCM-UHFFFAOYSA-N	423.314	5.020	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)C(F)(F)F	443873051	CBKLLUXOECFRKY-VIFPVBQESA-N	422.300	5.234	30	20	HKED	
O=C(CNc1cccc(F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444435045	KTNIGQIUEJQZSP-OAHLLOKOSA-N	408.317	5.066	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)CCCC1(C)C	444900746	TXDWAVWRANSERT-IBGZPJMESA-N	405.970	5.419	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1	448085838	UPFUAXYXQIKAJK-INIZCTEOSA-N	416.319	5.517	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCOc2cccnc2)cc1Cl	463396982	YKXQUEXRRPNARD-OAQYLSRUSA-N	405.885	5.188	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1OCC	465412903	ZMWZVXARDCXJNK-BWAGFHJFSA-N	421.541	5.026	30	20	HKED	
COc1ccc2[nH]c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2c1	468655153	HKFFUZZQWZNKTD-UHFFFAOYSA-N	411.461	5.074	30	20	HKED	
C[C@@H]1CCCCN1CCC1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	469614798	FMFPAOXCOQOVCP-OAQYLSRUSA-N	420.601	5.062	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc1	475532609	TYKPFECTCCQAAR-UHFFFAOYSA-N	412.415	5.004	30	20	HKED	
CC(C)OCCCn1c(SCCCC(C)(C)C#N)nc2cc(Cl)ccc2c1=O	475937729	ICMPBVCIWJHFGT-UHFFFAOYSA-N	421.994	5.287	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(SC3CCCCC3)cc2C)cc1C#N	476903711	OSOWEMAHZZVMLC-UHFFFAOYSA-N	413.568	5.366	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	478695730	DRUZIMWRDGNMDC-MGPUTAFESA-N	406.917	5.724	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc2sc(C)nc2cc1Cl	483377917	LRKVWVHJKMERAQ-UHFFFAOYSA-N	417.966	5.646	30	20	HKED	
CC(C)(C#N)c1ccccc1CNc1cccc(CS(=O)(=O)c2ccccc2)c1	486555626	ANROWBKUJNAPFD-UHFFFAOYSA-N	404.535	5.074	30	20	HKED	
N#Cc1cc(N[C@H]2CCCC(F)(F)C2)cc(N[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-]	486879001	KWCACQMIDRSMAU-UONOGXRCSA-N	414.403	5.446	30	20	HKED	
N#CCCCOc1cccc(NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c1	494559300	UPMZXNAYICWDLB-UHFFFAOYSA-N	414.431	5.245	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2ccc(Cl)cc2)cs1	496025974	ANUWKCLTQVLAAB-SFHVURJKSA-N	406.894	5.473	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-c2ccco2)cc1F	503357947	SVHFGBSCXGLMHW-UHFFFAOYSA-N	410.493	5.151	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1	505797761	XBAJSRODFPDUQL-NRFANRHFSA-N	418.884	5.287	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)cc1	509114862	XNFLFXMJKGEWOZ-CABCVRRESA-N	404.388	5.276	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)o1	509977264	MNXQYQOQDQWPRL-UHFFFAOYSA-N	421.928	5.663	30	20	HKED	
C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1)c1ccc(C#N)cc1	510535890	YJYIPFJJWZIJNO-LJQANCHMSA-N	416.525	5.329	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1C	511761885	OJSOQLYPLAKSJF-RUZDIDTESA-N	402.542	5.043	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CN[C@H](C)c2ccc(C#N)cc2F)cc1	512630848	OOLVKXRWMSNWHT-QGZVFWFLSA-N	405.473	5.524	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1	513114097	WWGLGTAYGIYDEZ-UHFFFAOYSA-N	412.367	5.288	30	20	HKED	
CCCn1c(C)c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c2cc(OC)ccc21	513165715	NHPOOEIOWCRCCS-QGZVFWFLSA-N	415.415	5.272	30	20	HKED	
CC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	513983640	RXMITXHAZBULTL-UHFFFAOYSA-N	413.521	5.774	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc2cc(Cl)ccc2s1	515539555	XEMILEVBSHBTHH-CQSZACIVSA-N	422.918	6.061	30	20	HKED	
CO[C@@](C)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	517345805	JHBIMARRJGSBGD-XUZZJYLKSA-N	404.897	5.496	30	20	HKED	
N#CCc1ccc(NC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)cc1	517355507	MTINILRSLFEQBW-OAQYLSRUSA-N	410.901	6.017	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	517603032	RCEZOEQOFCWELR-KRWDZBQOSA-N	407.480	5.581	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CC2(CCC2(F)F)C1	519724853	NEPJGXWKJIAPRI-UHFFFAOYSA-N	416.362	5.326	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCc1cccc2ccccc12	520197877	SBQFRZGIFUWBKV-SFHVURJKSA-N	403.551	5.940	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(COc4ccccc4F)cc3)no2)cc1	520654540	MBABWQMIBRHJEA-OAQYLSRUSA-N	424.435	5.176	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	521222489	BLAOLVREEBCVIG-SFHVURJKSA-N	415.493	5.223	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)cc1	522416873	SKCHTQSAVPPDET-UHFFFAOYSA-N	415.459	5.270	30	20	HKED	
CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	522705585	PUFTYPHABRZPCP-ILZDJORESA-N	413.974	5.791	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1C	523529934	VFEAZBOJKXDWHZ-UHFFFAOYSA-N	403.244	5.059	30	20	HKED	
Cc1sc2nc(S[C@@H](C#N)C3CCCCC3)n(Cc3ccccn3)c(=O)c2c1C	524536288	ORDHFADZBURLSC-SFHVURJKSA-N	424.595	5.083	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	525655269	XTZCYTUADRYUGQ-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(OCC4CCCCC4)CC3)c2)cc1	525672479	XRKBYXWMISFIQL-UHFFFAOYSA-N	418.537	5.552	30	20	HKED	
N#Cc1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c(F)c1	533446326	RKUOXZLMZRHZMZ-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1	533510627	KPSBTVPKIMIVSC-RBUKOAKNSA-N	404.539	5.230	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	534674119	JCQZDIRJOWKXOL-GOSISDBHSA-N	418.378	5.201	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C1CC1	534965666	CMQSPIZTWIIOPS-MRXNPFEDSA-N	415.497	6.039	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1	536185483	SEJYYCFLOGAVEL-HXUWFJFHSA-N	424.287	5.240	30	20	HKED	
C=CCC[C@H](NCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1	537157405	DVWLQFADTBZMMB-NRFANRHFSA-N	409.530	5.764	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1	538393275	SLPOEQVFQDLMJV-SFHVURJKSA-N	416.594	5.305	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(F)c(F)c1	540224110	PTYVSEMHGBREPA-QFIPXVFZSA-N	423.419	5.138	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1	548774902	ZXTVLFSDXRATQR-UHFFFAOYSA-N	413.546	5.071	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCc3ccc(C#N)cc32)cc1	550155035	XXJNRKDBBDUHAQ-UHFFFAOYSA-N	415.518	5.198	30	20	HKED	
N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1)c1ccccc1	551830252	KQLPEVBFRCJAAI-QFIPXVFZSA-N	421.566	5.211	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1	553665388	WXIURUTVXOOIIQ-AWEZNQCLSA-N	421.488	6.156	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	557250491	CLZQXDKZTWPHQL-MRXNPFEDSA-N	409.411	5.376	30	20	HKED	
CNC(=O)c1cc(Oc2ccc(N[C@@H](C)c3ccc(C#N)cc3Cl)cc2F)ccn1	564439773	VAVYUHQNHYIKHH-ZDUSSCGKSA-N	424.863	5.071	30	20	HKED	
Cc1csc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)c1C#N	577764467	GJQPGIANYRJUSA-UHFFFAOYSA-N	404.278	5.675	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3CCCC[C@H]3C(F)(F)F)cc2)ccn1	589363659	SBLLXKWWJLPHMA-IFXJQAMLSA-N	418.419	5.236	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-]	603843500	FIMPSFXTCAAWIF-MRXNPFEDSA-N	405.479	5.506	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	604480851	VQTDODCPFGEAHM-LLVKDONJSA-N	411.527	5.568	30	20	HKED	
CC(C)(Cc1ccc(Br)cc1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	608994714	RPTSQLZGUNQSPP-UHFFFAOYSA-N	414.347	5.393	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](c2ccccc2)O1	609306754	XWNDUQPOSNXAMW-BXKMTCNYSA-N	416.452	5.092	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccccc1	609377475	VRVAGDCCRVUGGR-QGZVFWFLSA-N	404.539	5.500	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	610275642	CEMUJZAXCLKOAB-GHMZBOCLSA-N	407.745	5.327	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1Br)c1ccccc1	610973786	VIEJMVJODZLANO-WOJBJXKFSA-N	412.331	5.341	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1sc(-c2ccccc2)nc1C(F)F	611184714	BSCAIARKKWBCMP-UHFFFAOYSA-N	409.461	5.448	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	618845596	FDACCVMQMMEIHJ-VGOFRKELSA-N	401.535	5.580	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc(-c2ccccc2)cs1	727954707	SBTFEDBMTANTEL-KCNXZKISSA-N	414.530	6.021	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728062005	GFKHXDYFYKPAIK-KRWDZBQOSA-N	419.912	5.538	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c(C)n1-c1ccc(C#N)cc1	728269318	IDEWCWMWNPOQPF-UHFFFAOYSA-N	424.508	5.127	30	20	HKED	
CC(C)COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4ccccc4s3)CCC2)cc1	731769113	XCUKATGDNFWINB-LJQANCHMSA-N	404.535	5.629	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3c4ccccc4n(C)c3s2)c1	733775502	XRBLDTILFZWMED-INIZCTEOSA-N	403.507	5.004	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(-c3cccc(F)c3C)o2)S1	734305590	DCNXRXCGSOYMIB-NDENLUEZSA-N	406.482	5.903	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)sc1C	736954917	CWTKOAJLDAHWLH-FQEVSTJZSA-N	404.539	5.472	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)c1=S	738283982	HXYFUCSLUGKQJL-KNQAVFIVSA-N	419.598	5.401	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CSC(C)C)c2C)c1	743206233	XHLFIXZJZJACAF-HXUWFJFHSA-N	411.571	5.639	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCSc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	744075196	SDGHCEWVROJFIL-KGLIPLIRSA-N	412.486	5.544	30	20	HKED	
COc1ccc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1C#N	746742173	QOVXKPTXWYUWHW-UHFFFAOYSA-N	423.856	5.211	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1	747988849	HAYZPQYKFBOBEG-WOJBJXKFSA-N	401.432	5.597	30	20	HKED	
Cc1noc(C)c1CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	753876224	KNQKEVALSXJERY-OAQYLSRUSA-N	422.916	5.355	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C	753899478	NAGJZGOIVJARNZ-UHFFFAOYSA-N	407.514	5.204	30	20	HKED	
CC(C)Oc1cccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	756302793	QBPMZFHZOHPPOJ-RUZDIDTESA-N	413.521	5.793	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1	763005458	QSGCVGFIISFZRC-JOCHJYFZSA-N	402.519	5.221	30	20	HKED	
COc1ccc2[nH]c3c(c2c1)C(=O)/C(=C\c1ccc(OC)c(OCCCC#N)c1)CC3	765613842	NQTQIHOGTQQENZ-LGMDPLHJSA-N	416.477	5.080	30	20	HKED	
COc1ccc(-c2nc(S[C@@H](C)CCSc3ccccc3)nc(O)c2C#N)cc1	769847977	ZZJQZATUQXBSOD-HNNXBMFYSA-N	423.563	5.392	30	20	HKED	
N#Cc1ccc2ncc(CNc3ccccc3SC[C@@H]3CC3(Cl)Cl)n2c1	770421529	GRDJBTTXLAKARN-AWEZNQCLSA-N	403.338	5.104	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccncc1	772087357	VAHVIFPCUQRWSW-KRWDZBQOSA-N	418.280	5.003	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	775353879	XMXQLVWRHSRLEB-OXJNMPFZSA-N	416.550	5.075	30	20	HKED	
C#CC[C@H](NCc1nc(O)c2c(-c3ccc(C)cc3)c(C)sc2n1)c1ccccc1	775398687	KUIBPMAUIHDBNL-FQEVSTJZSA-N	413.546	5.535	30	20	HKED	
CC(=O)N1C/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C(=O)c2ccccc2C1	778519260	GZDPUGQKQLODKC-IWIPYMOSSA-N	411.501	5.202	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(Cl)cc(C(F)(F)F)c1	778606748	ORTQSSWDXAFRTI-KRWDZBQOSA-N	416.786	5.473	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1-c1cccc(Cl)c1	780151738	ODRLUTYGZAKMHW-HNNXBMFYSA-N	408.889	5.192	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	780164986	QKFSGCJZHADVMB-SNVBAGLBSA-N	402.294	5.267	30	20	HKED	
N#C[C@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc2cc(F)ccc2s1	781803038	VIKCWJHJCAHLDW-MRXNPFEDSA-N	400.434	5.549	30	20	HKED	
COCc1cc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC	782776954	DJQZJHJEPMIVFR-MOPGFXCFSA-N	400.522	5.792	30	20	HKED	
O=C(O)C(=O)/C(=C/c1cnc(-c2ccc(Cl)cc2)s1)c1ccc2ccccc2n1	789129112	YESJVXRKHKFDTL-GZTJUZNOSA-N	420.877	5.206	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)oc1-c1ccc(Cl)cc1	795981574	CTEPDSOFFRHIIK-VQIMIIECSA-N	408.885	5.995	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cnn(C4CCCC4)c3)c2)cc1	799895617	JJKTZRGRAOHUMO-ZROIWOOFSA-N	415.493	5.155	30	20	HKED	
Cc1nc2ccccc2c(=O)n1N=Cc1ccc(-c2ccccc2Br)cc1	800805224	RSCHZXKPIYTCGI-UHFFFAOYSA-N	418.294	5.017	30	20	HKED	
Cc1cccc([C@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2cccc(F)c2)c1	800978714	JIQLUJQKOAKYHW-SANMLTNESA-N	415.512	5.168	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3cccc(Br)c3)no2)c1C#N	904294160	FIOIKBKHZKFECU-UHFFFAOYSA-N	413.300	5.032	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(F)cc1	915087115	ZWSUHEPVIYSPHM-HSZRJFAPSA-N	424.479	5.482	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nnc(-c4ccsc4)o3)n2)cc1	915100658	XYVBKZRLXCBOBU-INIZCTEOSA-N	420.519	5.039	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)c2ccccc12	916546866	LPROHIXHGARIJB-ZRDIBKRKSA-N	424.500	5.129	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(C)C)c(OC)c2)cc1	916947299	HDDBWKWUEGUPNJ-DYESRHJHSA-N	422.525	5.205	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	918711850	CPODBPWICZEAGB-KTKRTIGZSA-N	417.408	5.352	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCOc1cccc2ccccc12	920105507	GNDNLZDAJRLKKZ-OAQYLSRUSA-N	410.473	5.380	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)o2)c(C)c1	920107915	JGXUTOHQJJBSQL-LJQANCHMSA-N	422.868	5.090	30	20	HKED	
CC1(C)CCC(CC(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)CC1	1787881212	MMBZEEROSHCPFQ-UHFFFAOYSA-N	407.558	5.031	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C=O)s3)cc2)CCC1	1788151594	QXZZIMQQHRTGOD-HXUWFJFHSA-N	422.550	5.077	30	20	HKED	
C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1	1791241206	PKUPOQIPPVYAII-OQIXSKIXSA-N	419.912	5.092	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828410465	SCKFPMQUANQGKF-FCHUYYIVSA-N	418.597	5.047	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1829066615	MGXFXZWJEFCNPI-XZOQPEGZSA-N	414.634	5.345	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(CC)cc2)cc1	10173543	JIAWBFRYCMBCJL-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)n1	41519788	GGUDPTXRXNXLRQ-ZDUSSCGKSA-N	412.927	5.304	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSCc1c(C)noc1C	56469733	KSLRLJJQJPENNH-UHFFFAOYSA-N	407.495	5.136	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cccc2ncccc12	60036128	ZHOCBXXXBQYYTD-QGZVFWFLSA-N	408.461	5.338	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1	64714151	QYXWLPAADIGQOO-LBPRGKRZSA-N	408.351	5.597	30	20	HKED	
Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)cs1	195553184	HAMIPDCELRLKTK-UHFFFAOYSA-N	415.478	5.066	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2sccc2Br)c1	236593666	QGPWAHUNUVCSMU-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(COc2ccccc2)cc1	302985642	LJTHHENEKWLHKJ-UHFFFAOYSA-N	402.450	5.002	30	20	HKED	
CC(C)(C(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1csc(-c2cccs2)n1	410006260	YPQHNOXHIBHAFU-CQSZACIVSA-N	401.944	5.184	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccccc1	430002392	OGPCCRMMFJXQSQ-IBGZPJMESA-N	418.459	5.289	30	20	HKED	
N#C[C@H]1CC[C@@H](Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)C1	430136678	TUQOHXLLSIBTSH-SWLSCSKDSA-N	416.337	5.420	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)cs1	431782174	NQJOZZMDRPXOQX-VGOFRKELSA-N	418.566	5.914	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Cl)cc1Br)c1ccccc1	433274932	OIHQWTYLCQPGNB-INIZCTEOSA-N	406.711	5.659	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Br)o2)cc1F	437491966	IDWDWZCOUNMPBV-UHFFFAOYSA-N	401.191	5.097	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	437805925	BVLNYHMHAQWMBI-AXHNFQJDSA-N	419.978	5.113	30	20	HKED	
Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1	437977505	MVVPEDMARRDRLS-SFHVURJKSA-N	417.509	5.490	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](CN2CCCC[C@H]2C)C1	438069689	CDDLJOMTOUOSRM-AQNXPRMDSA-N	414.619	5.057	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1C(F)(F)F	438636337	OMCKWGIIHJBOFL-HNNXBMFYSA-N	401.310	5.392	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(Cl)c1	438820314	PPJHMRCEBKZAFA-UHFFFAOYSA-N	406.898	5.404	30	20	HKED	
Cc1nc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)sc1C	439670286	IBXVVNBJPWUDHU-ZDUSSCGKSA-N	410.474	5.002	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(OCC(C)C)CC1)c1ccc(C(F)(F)F)cc1	441530127	PVAUXDQEVGLFPK-HXUWFJFHSA-N	412.496	5.559	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(C(F)(F)F)cc1	442274935	NTWBCADXZLDLOS-AEFFLSMTSA-N	423.504	5.758	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1ccc(C(F)(F)F)cn1	442611862	VCMVIJWPCVDNFL-HNNXBMFYSA-N	420.312	5.675	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	444170046	SZMAFJIONYLOOA-CSODHUTKSA-N	411.546	5.099	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1	444389027	NHDBCHGPCLNPIM-ZDUSSCGKSA-N	404.333	5.366	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)CCCc3csc4ccccc34)CC2)c1	445866229	LKHUCDSSBOGZTF-UHFFFAOYSA-N	404.535	5.166	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)cc2Cl)cc1	446842981	ZEXBLNFVPIANLY-LJQANCHMSA-N	421.888	5.486	30	20	HKED	
CC[C@@H](NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(C#N)cc1	447546320	UXNVMXICGCEQLS-HXUWFJFHSA-N	411.427	6.005	30	20	HKED	
Cc1onc(CC(=O)Nc2ccc(Cl)cc2-c2cccc3ccccc23)c1C#N	447627477	XZYZEIHUWYAWOX-UHFFFAOYSA-N	401.853	5.510	30	20	HKED	
C=CCn1c(SCc2ccc(C(F)F)cc2)nnc1[C@H]1COc2ccccc2O1	460668706	ILOKFONZPVWJQV-GOSISDBHSA-N	415.465	5.207	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2Cc2cccs2)cc1	461318531	NHVYCTUDDFVDSF-FQEVSTJZSA-N	417.563	5.330	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1SCCc2sccc21	463142278	PSODDTKZGWCSTP-OAQYLSRUSA-N	406.532	5.690	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC2CCC2)cc1	463750604	QYGYLBGRNFZNAB-UHFFFAOYSA-N	420.456	5.895	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ncc(C(C)(C)C)s2)cc1C	464086930	KZJFRCNANZEBSN-UHFFFAOYSA-N	407.543	5.087	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1	466630668	IYZTZXIEXNOUPV-GFCCVEGCSA-N	413.890	5.281	30	20	HKED	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	467405291	MPSVRCAFKQFKNP-CYBMUJFWSA-N	424.476	5.035	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1	470907886	VMSZUVPQJICYFW-UHFFFAOYSA-N	419.594	6.023	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)nc12	475515349	ANFSZYGCEYJIMX-CYBMUJFWSA-N	410.355	5.035	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1	475542928	BDVQIZJIQDGQMM-GOSISDBHSA-N	407.558	5.389	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1	475651684	QFMSGPIFKZIUQG-DNVCBOLYSA-N	407.514	5.522	30	20	HKED	
COc1cccc(Cn2ccc3ccc(NC(=O)NCC(C)(C)CCC#N)cc32)c1	478954230	GKKGWSAHBZWMIK-UHFFFAOYSA-N	404.514	5.150	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1	480006877	QIAGOVGHWUHKCN-NHCUHLMSSA-N	401.535	5.339	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	487174075	BMNNJQJNTPVOSH-NRFANRHFSA-N	403.551	5.521	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	488405685	UPZVECXECGHBTK-NJYVYQBISA-N	415.459	5.031	30	20	HKED	
C=CC[C@H](C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1)c1ccccc1	489438662	PGPLVUUGEVRDHJ-QFIPXVFZSA-N	412.489	5.480	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccc(Br)cc1	499414808	BTTGCPMEBVIDKP-CQSZACIVSA-N	423.097	5.232	30	20	HKED	
Cc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc(C)c1OCc1cccnc1	503967087	RTTFAJQLXSAHIE-UHFFFAOYSA-N	423.516	5.079	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1C(F)F	507369282	JCUORQFEEZJAEF-OLZOCXBDSA-N	418.328	5.528	30	20	HKED	
COc1ccc(NC(=O)[C@@H](Sc2ccc(C#N)cc2)c2ccccc2)cc1Cl	509668937	XXKQATYOZUNVPA-NRFANRHFSA-N	408.910	5.692	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1	510304719	DSHNXBNDBVDGRO-INIZCTEOSA-N	405.885	5.622	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(-c2nccs2)c1	510307637	NBJNRXTZTGMRDR-UHFFFAOYSA-N	413.527	6.085	30	20	HKED	
N#C[C@H](C(=O)c1occ2c1CCOC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	513649589	ZRBVZAHVYNZFBM-CQSZACIVSA-N	419.289	5.273	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2nccc(C)c2c1C	515282543	SSIKUIVFLRDYSG-UHFFFAOYSA-N	414.490	5.533	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2ccccc2Cl)n1	515666483	NMRTWSFWVXVNEI-UHFFFAOYSA-N	412.942	5.229	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	517779581	ZTMZVCAFHGCIBI-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc2ccccc12	518151365	QHIHCZPEQQMHOR-UHFFFAOYSA-N	401.413	5.512	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCCCOc1cccc(C#N)c1	518378402	ZFYBIMRDOOHWJL-OAHLLOKOSA-N	405.325	5.634	30	20	HKED	
CC(C)COc1ccc(CCNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	518756112	YYDFJBGZAPAWPQ-GOSISDBHSA-N	411.571	5.480	30	20	HKED	
N#C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1ccc(Cl)c(Cl)c1	520271382	ISYHRLMYMSOVPV-HNNXBMFYSA-N	406.269	5.251	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1cccc(C(F)(F)F)c1	520271577	YZANBDKSABWWCD-CQSZACIVSA-N	412.198	5.488	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1	520804718	YVZVTSJQJHLWHF-UHFFFAOYSA-N	404.560	6.237	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2ccccc12	521260013	ZRPOFHGUWCDLEP-CYBMUJFWSA-N	424.428	5.471	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	523533160	VNEIYFSAICODFO-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1	524151134	SQFLSUWIOWBSGM-UHFFFAOYSA-N	404.489	5.520	30	20	HKED	
N#Cc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	524249185	XAZDPQJFPHMVSJ-UHFFFAOYSA-N	402.841	5.306	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1	533356145	YMYNTDUTVPZZAW-HOTGVXAUSA-N	424.595	5.322	30	20	HKED	
C=C(C)[C@H](CC(=O)N(CC)[C@H](c1cccnc1)c1csc2ccccc12)OCC	535212750	VXNFXMGLMVVSHX-XUZZJYLKSA-N	408.567	5.606	30	20	HKED	
C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1-c1ccc(Cl)cc1	539286191	FLKHFHHBDUBLLY-MRXNPFEDSA-N	414.896	5.779	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543033482	CEXFRKCUTIMJRQ-ZWKOTPCHSA-N	404.535	5.041	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1	543852221	MNUICZVPKRHSOH-IBGZPJMESA-N	417.431	5.112	30	20	HKED	
COc1ccc(-c2noc([C@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)cc1	543862086	OMMJVJYOMSPTAK-ROUUACIJSA-N	424.504	5.696	30	20	HKED	
N#Cc1ccc(CN(Cc2coc(-c3ccc(Br)cc3)n2)C2CC2)cc1	544186215	RYTAZABRCNNWEU-UHFFFAOYSA-N	408.299	5.140	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2c2nccs2)cc1Cl	546592795	LZSUNMBAYPMHIH-QUCCMNQESA-N	422.941	5.059	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccc(OCc4ccccc4)nc3)no2)cc1	547085133	NVRVPJAVCSVCPZ-UHFFFAOYSA-N	414.490	5.016	30	20	HKED	
N#Cc1cc(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)cnc1C(F)(F)F	551442091	KFMIOPKDGINCBL-GFCCVEGCSA-N	416.256	5.100	30	20	HKED	
CCCc1c(NC(=O)c2cc(C)cc3c(C)ccnc23)cnn1-c1cccc(C#N)c1	552484404	DMSNUZBODLDZGR-UHFFFAOYSA-N	409.493	5.114	30	20	HKED	
COc1ccc(CN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C2CC2)c(OC)c1	555186303	RHADQZKHQSOWCJ-JPYJTQIMSA-N	421.541	5.059	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H]3CCCCC[C@@H]3c3ccc(Cl)cc3)o2)c1	556519749	KWZKUEIIHHFPRO-RTWAWAEBSA-N	406.917	5.468	30	20	HKED	
CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	563785010	VSFXYGNPLRTHGS-QHCPKHFHSA-N	418.472	5.746	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1	569281777	JFBPRSZWAWUCKY-JTQLQIEISA-N	414.836	5.358	30	20	HKED	
CCO[C@@H](c1noc(/C=C\c2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F	569390896	ZMDYEYCPCDDGOA-JNLAIUADSA-N	417.362	5.395	30	20	HKED	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	576676074	BFJFJIFNQNPUBV-WAIKUNEKSA-N	400.503	5.103	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F	583841713	HNMVWBVPIRKKSW-RDJZCZTQSA-N	421.488	5.624	30	20	HKED	
CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	584794241	YAEMDDHMHVPEIH-UHFFFAOYSA-N	414.962	5.325	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(CN[C@@H](CCCC#N)c3ccccc3)c2)cc1	590069710	ITVUZVLAEUTUDS-VWLOTQADSA-N	413.521	5.472	30	20	HKED	
C=CCN1CCC(NCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CC1	592290901	JLMBPTZNVXIESX-UHFFFAOYSA-N	412.537	5.026	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cc3cccc(F)c3)cn2)cc1	603828958	GSOGXFHNUYHNRO-NRFANRHFSA-N	416.456	5.124	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OC(C)C)cc1	609061799	IDTBAFVAROWUDX-UHFFFAOYSA-N	400.478	5.485	30	20	HKED	
CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609500529	RWVGENJIDSWTKN-SFHVURJKSA-N	402.498	5.601	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(Oc4ccncc4)c3)cn2)c1	609577190	XXXQAPAQMJVLIF-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
COc1cc(C[S@@](=O)Cc2cc(C)cc(C)c2)ccc1OCc1cccc(C#N)c1	609742927	AZBRYMTZGAVAPV-SSEXGKCCSA-N	419.546	5.212	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c(F)c1	610149161	VHOJKXUGZNXLIL-UHFFFAOYSA-N	417.815	5.327	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)C1	612374970	ACJPIYQROLAUDL-PZJWPPBQSA-N	403.860	5.043	30	20	HKED	
CCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	613403960	XSOJMLWYRXWROS-LBPRGKRZSA-N	421.305	5.500	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cccc(OC)c4o3)n2)cc1	619756430	FOIAXNIAZVLNFN-MRXNPFEDSA-N	404.447	5.064	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622477652	GQQNNZRCCWSQRL-PXAZEXFGSA-N	421.356	5.833	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1cccc(C)c1	636349175	CNYCZJRNHFBAPT-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
C=C(C)[C@H](NC(=O)NCc1cccc(OCc2ccccn2)c1)c1ccc(F)c(F)c1	681297446	DFZPVQARWCZVTE-QHCPKHFHSA-N	423.463	5.055	30	20	HKED	
Cc1cccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	726858227	GMWGRBGNGMAABB-INIZCTEOSA-N	401.318	5.844	30	20	HKED	
CCN(C[C@@H](C)C#N)Cn1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1=S	726963644	KTOCPOPRJQYJDG-INIZCTEOSA-N	411.962	5.163	30	20	HKED	
C#Cc1cccc(N(C(=O)COc2ccc(C3SCCCS3)cc2)C(C)C)c1	728247898	UTFGONICVZWIQI-UHFFFAOYSA-N	411.592	5.357	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1	731332546	OEOVNMNOENZUTG-OAHLLOKOSA-N	414.621	6.202	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(Cl)c(Cl)c1	731644039	NGNKKDKQCQKLRD-KRWDZBQOSA-N	423.390	5.857	30	20	HKED	
N#Cc1ccc(CSCC(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc1	733948792	YLRCCGNSYGQGBP-QGZVFWFLSA-N	413.848	5.162	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)cs1	734081307	IKGYOVINLHDBMY-CQSZACIVSA-N	402.306	5.321	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)c3ccccn3)c2)s1	740060571	VFQLMDBQISDBCH-DEOSSOPVSA-N	424.529	5.271	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl	741066980	DOIIFYBCWBAMSK-MLGOLLRUSA-N	424.353	5.100	30	20	HKED	
Cc1cc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2Cl)ccc1F	741649724	GXLOKAAWALTHGV-XMMPIXPASA-N	422.887	5.138	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3csc(C)n3)c2)cc1	744032596	HKURRUDVUIGVMJ-QVKFZJNVSA-N	417.534	5.593	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1C#N	744045423	ZLXILNJRWOBQQJ-UHFFFAOYSA-N	416.550	5.054	30	20	HKED	
C[C@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	750313967	YCIJOPQUXJSNJK-RDTXWAMCSA-N	402.466	5.233	30	20	HKED	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	752279418	JZNJOIXYBVGGOJ-OXJNMPFZSA-N	422.575	5.154	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	754474308	RCVSZUXIJUNIJZ-UHFFFAOYSA-N	413.493	5.701	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1oc(C(C)(C)C)nc1C#N	754706548	MAFOHLCIJCBHFO-UHFFFAOYSA-N	424.936	5.311	30	20	HKED	
C=CCC(CC=C)C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1	758381834	TXIDVOOJZMQXGM-UHFFFAOYSA-N	414.299	5.375	30	20	HKED	
O=C(/C=C\c1cccc(OCc2ccc(F)cc2)c1)c1ccc(C(F)(F)F)nc1O	766689268	SYCFBQPSXSLIEZ-POHAHGRESA-N	417.358	5.420	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2nc(-c3cc4ccccc4o3)cs2)cc1	775320244	BGFFZEFVHWFBMD-UHFFFAOYSA-N	402.523	5.196	30	20	HKED	
C=C(C)CN(C)Cn1nc(-c2ccc(OC)c(OC)c2)n(C2CCCCC2)c1=S	777959263	CLGAINHINXGTMP-UHFFFAOYSA-N	416.591	5.069	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1C#N	778181863	TYGKOQNTWKNNRI-GOSISDBHSA-N	414.461	5.151	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1nc2ccccc2s1	778290401	VZNPMBPYOZWXDT-SFHVURJKSA-N	422.513	5.444	30	20	HKED	
CCN(C)[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	780311468	CDAIFJVVSOVDCP-QUCCMNQESA-N	409.942	5.333	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(C)C)c(Cl)c2)cc1Cl	786446939	FIABHOGINOGVFC-OAHLLOKOSA-N	405.281	5.087	30	20	HKED	
C=CCn1c(SCc2ccc([N+](=O)[O-])c(F)c2)nnc1-c1ccc(Cl)cc1	787489983	VLBSVCHBBRIIQU-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(Cl)cc2-n2cncn2)ccc1SC(F)F	794934764	NAAKUXSPBKXMBW-UTCJRWHESA-N	421.856	5.140	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	796748073	OQNHVQSECWRERY-OAHLLOKOSA-N	410.392	5.074	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2o1)c1csc(-c2c(F)cccc2F)n1	796777087	ZKVCAIJUWBUNKJ-LBPRGKRZSA-N	423.444	5.384	30	20	HKED	
C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cn1	798668778	DUTNOLOXHXMFPI-ZDUSSCGKSA-N	416.355	5.062	30	20	HKED	
Cc1cc(CC(C)(C)C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1Br	815915074	CHMOSYNICKUJDH-OAHLLOKOSA-N	411.299	5.344	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12	914512857	ROIDJXBRCLYTKU-UHFFFAOYSA-N	406.489	5.221	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Br	915086851	NYJSDWDFSLXPDO-LJQANCHMSA-N	421.294	5.365	30	20	HKED	
CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353764	QLIMYCXRUGCMDA-AREMUKBSSA-N	405.501	6.159	30	20	HKED	
CC(=NNc1nccc2sccc12)c1cccc(OCc2cn3ccccc3n2)c1	915980270	SCJRUEVOPXMHRO-UHFFFAOYSA-N	413.506	5.359	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccccn3)n2)CCOc2cc(Br)ccc21	915987078	QYKCFQVBSBGDMF-XFXZXTDPSA-N	413.296	5.016	30	20	HKED	
O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1csc(-c2ccc(Cl)cc2)n1	916306387	UQZSIEDXYLUMTA-UHFFFAOYSA-N	417.877	5.247	30	20	HKED	
O=C(/C=C/c1cccs1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	916845452	XMELRSZEANQISY-VAWYXSNFSA-N	418.568	6.382	30	20	HKED	
CCCc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc1C	916882688	ALBDWQQLTNOAMH-OAHLLOKOSA-N	408.495	5.285	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccccc2)CCCC1)c1nc2cc(C(F)(F)F)ccc2s1	917042128	BUHYVYJXWIVNHM-MRXNPFEDSA-N	414.452	6.003	30	20	HKED	
N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc2ccccc2o1	917510047	JJEUZUSKPJAVKZ-HXUWFJFHSA-N	423.447	5.924	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1OC	918606428	AMCKYMWBFAGMJW-BUVUWQSRSA-N	416.521	5.161	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccccc2F)n1	920790454	ZLNPIKFZDDHJBY-QGZVFWFLSA-N	421.497	5.035	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3coc(C(C)C)n3)cc2)CCC1	1787024954	FRPJHYDRBVZMDD-UHFFFAOYSA-N	421.541	5.314	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)[C@H](C)CC	1795574970	KPMPIUNGTADQDT-NLFWLLJLSA-N	422.613	5.223	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCC2)CC1	1823846317	WIOAXOQBOPZRHQ-NRFANRHFSA-N	402.623	5.179	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)CCCCC)CC1	1831464746	FBOCIIPOQNINMP-QUCCMNQESA-N	412.565	5.034	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccccc1	4285817	JNAUCZJZMTZRMF-ZWKOTPCHSA-N	420.582	5.764	30	20	HKED	
C=CCn1c(SCC(=O)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1	9448760	OIQAUEZXQDTKKP-UHFFFAOYSA-N	403.429	5.125	30	20	HKED	
CC[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1	15627185	OUFBOEXMRDYKFZ-NRFANRHFSA-N	400.547	5.774	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1Cl	16095857	QFVBSYXTDHYSOF-QGZVFWFLSA-N	417.317	5.450	30	20	HKED	
CC(=O)Nc1ccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1	16254467	WHFVOCFAEQJPBT-UHFFFAOYSA-N	424.570	5.171	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1-c1ccncc1	20050534	DUZTZTZHOJFJBO-UHFFFAOYSA-N	409.518	5.520	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)oc1ccccc12	63391706	IRIITQMTLDEYKO-UHFFFAOYSA-N	401.422	5.714	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc2c(c1)CCC2)[n+]1ccccc1)c1cc2ccccc2o1	63441187	RKTCPYBLOQQYLU-UHFFFAOYSA-O	413.522	5.260	30	20	HKED	
CCCC(CCC)SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2	64049821	ANNBEJMLSKKFMB-QGZVFWFLSA-N	417.619	5.058	30	20	HKED	
CC(C)(C)c1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	64324750	OESMNGGELZGDFE-UHFFFAOYSA-N	402.523	5.190	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1OC	108967097	RTTUGUBDDIUTLR-AWEZNQCLSA-N	417.481	5.594	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1	217115960	VCBMAAUPXXFQCD-HSZRJFAPSA-N	422.575	5.405	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(-c3ccsc3)n2)cc1Br	302988669	IYSOALIWOZWBSI-ONEGZZNKSA-N	406.326	5.539	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(-c3nnco3)c2)c1	303707791	YKLSBIVQCUTTFI-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1	409866502	KYHCGHMAEBTAGQ-QFIPXVFZSA-N	424.859	5.508	30	20	HKED	
N#CCCC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccccc1	431626803	BUKDUIIXCKNKMJ-MRXNPFEDSA-N	416.852	5.072	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1	437506280	HPXWKBOLGBYDIH-UHFFFAOYSA-N	411.490	5.007	30	20	HKED	
N#CCC[C@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)c1ccccc1	440051255	ZXTPVTIGYDSCNS-QHCPKHFHSA-N	410.473	5.787	30	20	HKED	
CCCc1c(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cnn1-c1cccc(C#N)c1	440085529	CCAIIXVDUKXTEW-UHFFFAOYSA-N	416.378	5.107	30	20	HKED	
N#CC1CCC(CNC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)CC1	441153633	ITRNVSOZZLHNOO-UHFFFAOYSA-N	420.900	5.117	30	20	HKED	
N#C[C@@H](C(=O)c1ccncc1Oc1ccccc1)c1nc2ccccc2n1C(F)F	442520474	FCPLCSADJBLDOC-INIZCTEOSA-N	404.376	5.109	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccnc(Sc3ccccn3)c2)c2ccccc21	444156743	OYKLISIYOBEITL-UHFFFAOYSA-N	413.506	5.139	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCSc4ccccc43)cc2)c1	460177891	UIVYDVKVJNYORA-JOCHJYFZSA-N	400.503	5.355	30	20	HKED	
N#Cc1cccnc1-n1cc(NCc2ccc(-c3cccc(Cl)c3Cl)o2)cn1	461424119	LEGDLUWJSUDICC-UHFFFAOYSA-N	410.264	5.318	30	20	HKED	
COc1ccc([C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)cc1	462132889	SHPUMPVNIOWSNE-MWTRTKDXSA-N	404.897	5.230	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(CC(F)(F)F)c1	464432891	XTGNNHTYCOSZJP-UHFFFAOYSA-N	412.436	6.067	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)cc2cccnc12	464472095	OYPXTHUQMVUBID-UHFFFAOYSA-N	409.327	6.102	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)CCOc1ccccc1	465024983	GOMADIAWACQTCI-QGZVFWFLSA-N	401.466	5.098	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	465125698	HBUPCDSHFOHHPL-NLFFAJNJSA-N	414.505	5.052	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1	466079964	XWADNDVTUABXOO-SFHVURJKSA-N	406.551	5.883	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](C)c1nc2ccccc2s1	469189887	JEOBEUALMJUTJE-SJORKVTESA-N	418.566	5.483	30	20	HKED	
CC[C@@H](OC1CCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	471191734	PWWDDUWOVYUNBL-XMMPIXPASA-N	406.526	5.398	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2coc3cc(F)ccc23)cc1	475019504	UVJLMZKHVOTWMI-UHFFFAOYSA-N	400.409	5.469	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1	478340830	QPRSKAZJMSRTIW-CYBMUJFWSA-N	401.507	5.952	30	20	HKED	
C=C(C)[C@H](N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1	480673019	UHSMZQFMKVDFPY-XCLFUZPHSA-N	412.402	5.608	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](c3ccccc3)c3ccncc3)c2)cc1	481993611	SOCOUPBHNMKYEW-RUZDIDTESA-N	405.457	5.265	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nccc2ccccc12	483244497	ZPNRQSZEFSQCON-FQEVSTJZSA-N	408.417	5.377	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)ccc1OC(F)F)c1nc2ccccc2n1C(F)F	484558677	OCKQEIBVIFZMIL-LLVKDONJSA-N	411.742	5.176	30	20	HKED	
CCCCn1ncc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1C(C)C	485192544	PHJCXBABUSGPJL-UHFFFAOYSA-N	423.561	5.190	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1	485293124	XLGWUIWVPDHWFS-UHFFFAOYSA-N	404.576	5.003	30	20	HKED	
CSc1nnc(CCCNc2ccc(C#N)cc2C(F)(F)F)n1C1CCCC1	486136286	KGOCAGOFJHOTBW-UHFFFAOYSA-N	409.481	5.050	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1Br	486329696	ZHPWGELZUCYVND-YLJYHZDGSA-N	412.331	5.370	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H](CCCC#N)c1ccccc1	487178828	WLRYXIYVVRHNPC-FQEVSTJZSA-N	423.513	5.335	30	20	HKED	
Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1F	487445412	JUFUPQBPJCNXEB-UHFFFAOYSA-N	419.403	5.324	30	20	HKED	
CC(C)(C)C(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1	487919600	OWYOFLJLGUUGTI-UHFFFAOYSA-N	402.450	5.211	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(-c2ccccc2)on1	489641781	FKYSRAAPBXCLDI-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1	489877730	ZXWGNYPOBDKGID-SFHVURJKSA-N	417.484	5.179	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ccc(C(F)(F)F)cc1Cl	490285255	MBDAJBZGCYPYKE-UHFFFAOYSA-N	401.665	5.491	30	20	HKED	
Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	491470245	QKKNBQRAMYAJFJ-UWJYYQICSA-N	423.582	5.089	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)oc2c(Cl)cccc12	499416481	GANWASZKBKPMGO-OAHLLOKOSA-N	403.663	5.152	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc(OC)c1OC	500046853	FVDPUQHYOPDDJA-UHFFFAOYSA-N	404.466	5.217	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc(C)nc21	508987524	NKVLJALCHOTUQX-OAHLLOKOSA-N	415.522	5.563	30	20	HKED	
N#CCCn1cc(C(=O)CSc2nc(-c3ccccc3)ccc2C#N)c2ccccc21	510210403	QPVZBFXMPDEACQ-UHFFFAOYSA-N	422.513	5.464	30	20	HKED	
CCC(CC)N(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21	511313116	CJVOWHCELQDKDZ-JOCHJYFZSA-N	407.583	5.281	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511577233	QNDNBQGGUVTEEK-INIZCTEOSA-N	422.344	5.680	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(F)c(F)c2F)cc1	513961992	OSRVYZYNXDSQHD-UHFFFAOYSA-N	413.374	5.349	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)sc2c1CCCCCC2	515449262	SLLPTTATSUFERP-GOSISDBHSA-N	410.539	5.089	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1nccs1	515542886	DQMCQUWKYOAUBQ-QGZVFWFLSA-N	404.520	5.164	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F	515912814	DARUPEPETXJTQG-IBGZPJMESA-N	403.295	5.061	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1	517530185	KJRNFMZXRYWXOC-UYAOXDASSA-N	409.555	5.294	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	518019604	AGADXUSCVKAXAZ-UHFFFAOYSA-N	413.452	5.412	30	20	HKED	
C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2NC1=O	518231676	CBIMOWFSMFXIQY-AWEZNQCLSA-N	415.474	5.036	30	20	HKED	
CCn1cnnc1-c1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	518374288	FNIIIXQQZXMIOA-UHFFFAOYSA-N	423.476	5.076	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(N2CCCCC2)CCCCC1	518753516	QKMFUNBZLKYOMZ-LJQANCHMSA-N	414.619	5.391	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(F)cc1Cl	519431715	LJDLGHCLYHIAIH-CYBMUJFWSA-N	408.951	5.603	30	20	HKED	
Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	519558683	LVUHMDKUFOWBJP-KNQAVFIVSA-N	407.583	6.539	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccccc1OC(F)F	520951206	WFBOHZCFUUTXRF-KRWDZBQOSA-N	408.448	5.589	30	20	HKED	
CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(C1CC1)C1CC1	524438998	BJANCQDYUHBJEC-UHFFFAOYSA-N	409.917	5.443	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](CC)c2nc(C(F)(F)F)cs2)ccc1OC	524773080	SQQZWMQIEDUSBL-AWEZNQCLSA-N	400.466	5.366	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(C#N)c(C#N)c2)cc1	524835560	OMJCSLBJARHTRJ-UHFFFAOYSA-N	420.472	5.158	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(COCc2ccco2)c1	530500131	QVIHJAGMJFEGFI-UHFFFAOYSA-N	418.537	6.170	30	20	HKED	
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([C@H](O)C(F)(F)F)CC1	531731728	BEMQYCNCRQYOBU-XPTSAGLGSA-N	423.319	5.420	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2ncccc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	536772656	PVHQVKCVIRNEJI-INIZCTEOSA-N	424.312	6.155	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccccc2Oc2ccccc2C#N)cs1	538660268	ZDKUGFGTMBQRMI-INIZCTEOSA-N	421.522	5.177	30	20	HKED	
COC(=O)c1cccc(CN[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1C#N	540520520	IOYYJFBKLJFGEK-IBGZPJMESA-N	422.834	5.258	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc(-c2cccs2)o1	541086960	SOQLYUCBVWBABK-CVEARBPZSA-N	400.507	5.749	30	20	HKED	
CC(C)C[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccs1	541625855	OFIYGGOCQHYXLF-FUHWJXTLSA-N	401.601	5.458	30	20	HKED	
Cc1nnc(Sc2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)c(C)c2)s1	542530281	ATKUDSLVEAJCAS-UHFFFAOYSA-N	400.916	5.084	30	20	HKED	
COc1c(-c2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)cnc2ccccc12	545731579	ZRHPYJWOIYONMM-UHFFFAOYSA-N	424.416	5.004	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	554210789	AFBCWJGPOKWHQD-GOSISDBHSA-N	411.575	5.468	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1	558594338	QVACGMZGGPDLIR-UHFFFAOYSA-N	413.546	5.071	30	20	HKED	
Cc1c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)sc2ccc(C#N)cc12	559889158	ZXTWGZZICKLGBG-UHFFFAOYSA-N	406.351	5.038	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(F)c(Br)c(Cl)c2)n1	560554496	GHCIFVRKBPUJDC-SECBINFHSA-N	401.688	5.312	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)cc1	561912871	LMXSCJHNAAFUAY-UHFFFAOYSA-N	415.280	5.026	30	20	HKED	
COc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1OC1CCCC1	569038774	WGHJKZKXKMFTPR-UHFFFAOYSA-N	404.432	5.197	30	20	HKED	
CC(C)(CCC#N)CN[C@@H]1CCCc2nc(-c3ccccc3Br)sc21	570522553	FWXRFFAUKRQOOM-MRXNPFEDSA-N	418.404	5.870	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3cnoc3-c3ccc(Cl)s3)cc2)ccn1	577152380	ATVZRNCEFXHHMO-UHFFFAOYSA-N	408.870	5.728	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2	579154411	UCAJWSYTTCKNND-UHFFFAOYSA-N	411.527	5.060	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1	581585210	JQKATZGTYCVRPT-GOSISDBHSA-N	414.303	5.007	30	20	HKED	
COc1cc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)ccc1C#N	584557003	GMYWRRPTUJSTBZ-UHFFFAOYSA-N	411.427	5.183	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1	589739951	DPQTUBYUXOUAJD-UHFFFAOYSA-N	422.504	5.267	30	20	HKED	
C=CCn1c(Sc2cc(C)ncn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	599442369	GRGQSSQCVKPKCJ-UHFFFAOYSA-N	424.526	5.008	30	20	HKED	
N#CC1(c2ccc([C@H]3Nc4ccccc4C(=O)N3c3ccc(F)cc3Cl)cc2)CC1	602761751	SZTUJTXWGUCELN-QFIPXVFZSA-N	417.871	5.805	30	20	HKED	
N#CCCCOc1cccc(NCCOc2ccc(Cl)cc2Br)c1	604008809	IVFPRDVMGJVYOH-UHFFFAOYSA-N	409.711	5.276	30	20	HKED	
COCCN(CC(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604090381	XLVGIHLKUKYJIY-UHFFFAOYSA-N	401.894	5.140	30	20	HKED	
CCCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604499487	DDBIRXZVOYCKBJ-UHFFFAOYSA-N	404.445	5.329	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3csc(-c4ccc(F)cc4)n3)n2)cc1	604513985	LRZZYASCXRQOSQ-UHFFFAOYSA-N	406.467	5.197	30	20	HKED	
COc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)s2)cc1	608553107	SHPVWZQVHKKATB-AWEZNQCLSA-N	409.467	5.058	30	20	HKED	
CCn1nc(C)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C	608995297	HYWBENVNBQTGEO-UHFFFAOYSA-N	423.904	5.159	30	20	HKED	
CCc1c(C)sc(NC(=O)c2oc3ccc(Br)cc3c2C)c1C#N	609033128	LZCLIVBRZHAZNB-UHFFFAOYSA-N	403.301	5.560	30	20	HKED	
N#Cc1cc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)ccc1F	609102530	HHMFRANGZNAYOK-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4ccccc4)nc3O)c2)cc1	609177498	ZAUMANVFVRPCKR-UHFFFAOYSA-N	407.429	5.370	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(C(F)(F)F)c1	609387173	RGSRHPGOECWIMQ-AWEZNQCLSA-N	424.513	5.972	30	20	HKED	
Cc1ccc(C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(C)C)c2ccccn2)cc1	609687604	SRFYZVJYMCXNHK-JOCHJYFZSA-N	414.509	5.154	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2c(F)cc(Br)cc2F)c1	610330905	WUMMNSIFKSIZPA-UHFFFAOYSA-N	410.218	5.054	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1C	613346779	QTKFKPGFDWASAU-OAHLLOKOSA-N	404.322	5.562	30	20	HKED	
N#C[C@H](C(=O)c1csc2c1CCCC2)c1nc2cc(C(F)(F)F)ccc2s1	613404554	UFADOAPZTOPIFC-GFCCVEGCSA-N	406.454	5.745	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1ccc2ccccc2n1	671746047	IYMVZLCPSQANMA-GOSISDBHSA-N	409.411	5.344	30	20	HKED	
C=CCC[C@@H](C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccccc1	681658468	OHOQUKWWFBYNIL-JOCHJYFZSA-N	401.510	5.193	30	20	HKED	
CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Oc2ccccc2)cc1	726598305	CIEUHYCLKMXGJA-JOCHJYFZSA-N	420.472	5.152	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C(F)F)cc1	726732128	AUBMORRNJGSZCK-GOSISDBHSA-N	406.388	5.378	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1	726846653	FJZJFMOGCPZTOQ-UHFFFAOYSA-N	422.598	5.189	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2ccco2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S	726962179	SDHSVAXWVIFDOM-HVMFNXBNSA-N	413.591	5.110	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3cccc(O[C@@H](C)C(=O)O)c3)s2)cc1	727653883	BBEXJIGGCIJDRY-CKDIWJPDSA-N	407.491	5.175	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	728627645	XVBWCVFFVXEOLX-UHFFFAOYSA-N	406.360	5.197	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F	731409971	BDJKXIQSVAIRGK-LPHOPBHVSA-N	402.425	5.069	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	731972072	JAJKIQYOJSKHJR-RUZDIDTESA-N	409.489	5.402	30	20	HKED	
Cc1ccc(Oc2ccc(N[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)nc1	733324277	YWTMHYHIKQAXQY-OAHLLOKOSA-N	406.873	5.147	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)C)c2ccccc2C)ccc1OC	733649735	DCDSHALPOAXLTB-IRLDBZIGSA-N	423.557	5.271	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1ccccc1OCc1ccccc1)c1ccncc1	734661180	JCAYNHBHDKCXAG-XXBNENTESA-N	401.510	5.338	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1)c1ccncc1	734679884	QEECYBXZHUJRKY-XMMPIXPASA-N	419.569	5.202	30	20	HKED	
COc1ccc(/C=C2/Cc3ccc(OC(F)(F)F)cc3C2=O)cc1OCCCC#N	737451406	ZCQMNQJXYJIUCU-YBEGLDIGSA-N	417.383	5.099	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2cc(O)nc3ccc(F)cc23)s1	737492100	WGLGUFGKQSTASM-UHFFFAOYSA-N	402.495	5.086	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1	743464149	AXRYIXSUSRTSJH-KRWDZBQOSA-N	404.539	5.174	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1C(F)(F)F	744016668	QRHRXNQXESOABL-QAAVPBIRSA-N	410.395	5.490	30	20	HKED	
Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)co2)cc1	749892858	AKSHMJHTAAGWFK-NTCAYCPXSA-N	421.518	5.262	30	20	HKED	
CCSc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	752481559	CHFCOSDKRKZFNH-IBGZPJMESA-N	408.548	5.350	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	759223734	XPSCOJDJGLNQHQ-BLLLJJGKSA-N	418.440	5.379	30	20	HKED	
C/C(=C\c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	759269761	VSJUSKXPIRAVTC-ATEOEAFZSA-N	403.894	5.615	30	20	HKED	
Cc1nc([C@H](C)OC(=O)CSc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	763966635	BOKASJYQCNIILB-AWEZNQCLSA-N	412.898	5.572	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	772461589	DJDFMUYLDLVHSF-RBBKRZOGSA-N	419.525	5.254	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1	772982294	BWQJGEVVXYFKMV-KNQAVFIVSA-N	402.542	5.329	30	20	HKED	
C[C@@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccc(C#N)cc1	775159866	FXTUQJBRZGWFQS-SECBINFHSA-N	417.123	5.461	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCC(=O)c3ccc(F)cc3)n2)cc1	778604914	FHEMJMCPMQGJHV-FQEVSTJZSA-N	420.509	5.877	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2O[C@@H](C)C#N)s1	780676462	BDXCRQBFKLHARK-SFHVURJKSA-N	419.550	5.624	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(N2CCC(O)CC2)cc1	789141823	HEZYQJMNOZVKAO-KTKRTIGZSA-N	424.953	5.321	30	20	HKED	
Cc1sc2ncn(N=C3CCCCc4cc(C#N)ccc43)c(=O)c2c1-c1ccccc1	794847896	ZDNIEWCVFKZOOG-UHFFFAOYSA-N	424.529	5.284	30	20	HKED	
C=CC[C@H](OC(=O)c1nc(-c2cnn(C)c2)oc1C)c1ccc(Cl)c(Cl)c1	797553771	KPRJNAWYAWLMGB-INIZCTEOSA-N	406.269	5.165	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	801660200	DIUQQZSBAXDSQW-CLOONOSVSA-N	410.517	5.923	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	806200266	BTMIFIBOSKCNCJ-RPWUZVMVSA-N	413.521	5.966	30	20	HKED	
C=CC[C@H](OC(=O)CCCn1c(C)cc(=O)cc1C)c1ccc(Cl)c(Cl)c1	810823981	MXPXGYVBFZUHBN-FQEVSTJZSA-N	408.325	5.413	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(Br)cc2F)S1	915848968	FJCBJFHYMOWVBU-OVCLIPMQSA-N	405.292	5.097	30	20	HKED	
CC(=O)N(c1nc(C=NNc2cccc3ncccc23)cs1)c1ccc(F)cc1F	915964793	OSLBWAAPSUDFGH-UHFFFAOYSA-N	423.448	5.100	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1cc(C(C)C)ccc1C	916907955	OLDFMYMFDORGQU-AVRDEDQJSA-N	420.553	5.358	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(F)(F)F)cc2)cc1	916948674	JGGDDMOCPNKWFF-AUUYWEPGSA-N	418.415	5.102	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976902	WMBIETHORFVYIC-SWLSCSKDSA-N	417.317	5.761	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1	917026185	AEAIHJWVTALEEL-MRXNPFEDSA-N	401.318	5.926	30	20	HKED	
COCCn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc21	920036665	IDHJTPFYEASBFG-QHCPKHFHSA-N	409.489	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)nc3)CCC2)cc1	1789624012	AAKSHLWJESOYRT-UHFFFAOYSA-N	419.569	5.059	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CCC1	1791534302	RZNQNLCJTJSQJI-LEWJYISDSA-N	424.491	5.136	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccccc2)CC1	1824145108	BFHNRNUEOPJSLK-PXDATVDWSA-N	422.613	5.178	30	20	HKED	
COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2CC(C)C)cc1	7425523	NQZONQOJJZABAA-NRFANRHFSA-N	406.555	5.145	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c1	10174762	LDYCMPPIGBVIJP-UHFFFAOYSA-O	419.570	5.416	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC)cc2)[n+]2ccc(CC)cc2)cc1	22731319	WNYDSDGBAPMLJG-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F	46533265	WEKLELIINVLNOA-KGLIPLIRSA-N	415.349	5.411	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)N[C@@H](C)c1cccc2ccccc12	56199490	HYXQMNZOFQJCGU-OALUTQOASA-N	401.510	5.200	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cccc1[N+](=O)[O-]	59281301	KTUBEIGOZRXBME-IBGZPJMESA-N	405.841	5.464	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(OC(F)F)cc1	71851250	JLEDBEYNLUZRHO-OAHLLOKOSA-N	424.472	5.802	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OC	96765894	FQYAVIAPUAESNL-XQRVVYSFSA-N	417.255	5.117	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1	195556926	COYSGXWBZFEHKQ-QGZVFWFLSA-N	424.909	5.044	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1	261454899	RXJMTCWSWMWTJU-UHFFFAOYSA-N	424.570	5.252	30	20	HKED	
C=CCn1c(SCc2cc([N+](=O)[O-])ccc2OC(C)C)nnc1-c1ccccc1	303237740	YZZMJKLFNFZKJD-UHFFFAOYSA-N	410.499	5.119	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	303526793	VVOOXGFHIWGRLK-QFIPXVFZSA-N	415.880	5.079	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2ccncc2)C2CC2)c1	303691525	VLSJWQBNSOLAKU-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	428727790	ZEEKEKLAWLIGHK-LBPRGKRZSA-N	409.433	5.146	30	20	HKED	
FC(F)C(F)(F)COCc1cccc(NCc2ccc(C(F)(F)F)s2)c1	428879070	FGJJPVVPMFTDPD-UHFFFAOYSA-N	401.347	5.796	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)o1	430595638	YDIFCFCLWDEETD-OAHLLOKOSA-N	410.495	5.111	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c(Cl)c1	432306536	MLCVIARLDSIHKJ-KRWDZBQOSA-N	422.685	5.482	30	20	HKED	
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1	437028887	COHGXANWLYAEQT-PIGZYNQJSA-N	404.329	6.060	30	20	HKED	
C[C@H](Nc1ccc([C@H](C)Sc2ccccc2)cc1)C(=O)Nc1ccccc1C#N	437153317	VXKDGPCPFDPKLL-ROUUACIJSA-N	401.535	5.851	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[C@H]1c1ccccc1	437510257	ZFYFIIUWJJLWCQ-HTAPYJJXSA-N	416.550	5.263	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	438063609	IBPQJFNLJBTYPU-KAGYGMCKSA-N	407.583	6.047	30	20	HKED	
Cc1ccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCc3ccccc32)cc1	438754522	PJZRFWLTKBXAHO-RUZDIDTESA-N	420.516	5.606	30	20	HKED	
Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1NC(=O)c1ccccc1F	439676515	XBTFAJDOGFLESS-JOCHJYFZSA-N	415.468	5.161	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc(C(F)(F)F)cc1	441534017	JIJWSNJTANPJGI-WOJBJXKFSA-N	403.448	5.654	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC2CCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	442687507	MUVGLSVMOMLFIA-LJQANCHMSA-N	408.910	5.885	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2SCCc3sccc32)sc2c1-c1ccccc1CC2	443881644	SJADHFRQVURVSE-IBGZPJMESA-N	408.573	5.416	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1	445921820	NTDMIYTYYVSLQN-UHFFFAOYSA-N	401.422	5.139	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccsc1	460373014	CVWINZAQKPLTPV-VQIMIIECSA-N	412.534	5.536	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)c2)c1	460980085	MDUNSKLGELNRAW-UHFFFAOYSA-N	424.435	5.197	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)CCc1nc2cc(Br)ccc2s1	463094075	RLSZRXPVMOOQTN-UHFFFAOYSA-N	415.356	5.206	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)[C@H](C)c2cccc(C#N)c2)n1	464267501	LNEAGYMFVLLIBB-CQSZACIVSA-N	408.889	5.202	30	20	HKED	
N#Cc1cc(NC(=O)c2ccncc2F)ccc1Oc1ccc(C(F)(F)F)cc1	464295290	MYSJMFQYLCXNJH-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC(=O)Nc1c(Cl)cccc1Cl	464822511	MXKSBSANOITXJB-QFBILLFUSA-N	402.325	5.094	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cn(CCCC#N)c3ccccc23)cc1	469486619	XAEOFXZKEWUJBS-SQJMNOBHSA-N	415.537	5.151	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1CCN(c2ccccc2)CC1	471278643	UOZMVKUBPKCYPR-GOSISDBHSA-N	408.571	5.119	30	20	HKED	
CSc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c(Cl)cc1Cl	471798864	LUPSIYFLVXMCBL-UHFFFAOYSA-N	423.321	5.047	30	20	HKED	
C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1	472117505	JHYJDHSMVBZMAG-MDOVXXIYSA-N	401.432	5.269	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(OCCCC)cc2Cl)cc1	472714192	LKFCSGLCNYINJL-UHFFFAOYSA-N	401.894	5.079	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	474433942	OGUVUVKSFUMVDZ-SNVBAGLBSA-N	407.973	5.903	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)sc1SCC#N	475928463	DAEZRDUABPLRFG-UHFFFAOYSA-N	421.956	5.717	30	20	HKED	
N#CC[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccccc1	476301349	CSKQPJYIDIYLEO-CYBMUJFWSA-N	413.251	5.299	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1	476361390	AEWKKDQOPMOZRS-HOTGVXAUSA-N	401.963	5.223	30	20	HKED	
COc1ccccc1NC(=O)c1cc2ccccc2cc1OCCCC(C)(C)C#N	476497183	XLTMBMIVVMAHPD-UHFFFAOYSA-N	402.494	5.809	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1n[nH]c(-c2ccccc2Br)n1	479205363	LDFXYVXQNZQPPD-UHFFFAOYSA-N	405.708	5.052	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1)c1ccc(F)c(F)c1	480592312	XLKKEPQJHOKILH-HXUWFJFHSA-N	415.484	5.697	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c1	482408262	NFGJVTLDZDDJBY-LJQANCHMSA-N	405.542	5.044	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	483240182	YOKZKQDUHSRZLQ-MRXNPFEDSA-N	419.456	5.290	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C/C=C\c2cccc(F)c2)cc1	486663413	CTBYPHJALLDRGL-XQRVVYSFSA-N	400.453	5.513	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccccc1	487362815	WZSGOKWPKQVYNE-HXUWFJFHSA-N	407.420	5.317	30	20	HKED	
COc1ccc([C@@H](NCc2cc(C#N)ccc2F)c2ccccc2Cl)c(OC)c1	487368168	QEHHPTPWWGBVMT-QHCPKHFHSA-N	410.876	5.247	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(OC2CCCCC2)CC1	495653104	FDMTZOJECVFROF-UHFFFAOYSA-N	420.578	5.663	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)c1ccc(Br)cc1	499726733	QNSYJYHYLCCPEG-ZIAGYGMSSA-N	403.345	5.586	30	20	HKED	
CC1(C#N)CCN(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1	503242141	ACLZUYABGFUTCV-UHFFFAOYSA-N	417.431	5.333	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1	503268526	NEVRLTPMFPIWEU-UHFFFAOYSA-N	412.493	5.095	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	504557380	YYTGYXBWGGLSIA-KRWDZBQOSA-N	400.425	5.795	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ncccc1C(F)(F)F	505381804	YWZGUBWCGICABS-LBPRGKRZSA-N	416.243	5.153	30	20	HKED	
Cc1ccc(-n2c(Sc3cccc(F)c3C#N)nnc2-c2ccncc2)cc1C	506836992	DRFKWQWPCYQDGV-UHFFFAOYSA-N	401.470	5.108	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCc2ccccc2)cc1	508249637	HLEBTOUNXYGOHM-UHFFFAOYSA-N	401.466	5.066	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCCCC4)cc(C)nc21	508957705	DFVPEUHZHDXTRR-OAHLLOKOSA-N	421.570	5.555	30	20	HKED	
Cc1nc(SCC(=O)Nc2cccc(Nc3ccccc3)c2)c(C#N)c(C)c1C	511457942	HMQZUNMJJVPLDK-UHFFFAOYSA-N	402.523	5.353	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1	511860300	PTFZIKQZCXSOEY-SFHVURJKSA-N	423.541	6.406	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F	512865346	SHLFELOACPFXRW-RBUKOAKNSA-N	402.416	5.966	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1	513466919	MPVMTKXQVYUBCE-QGZVFWFLSA-N	414.480	5.282	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	514629523	CZFPXOTYIABLNQ-LJQANCHMSA-N	409.338	5.551	30	20	HKED	
N#Cc1c(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n[nH]c1C1CC1	514963238	MJJZXJNOOKZPDB-UHFFFAOYSA-N	413.456	5.017	30	20	HKED	
COCc1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1	515542957	ACECVUDJOXZPOY-GXYHREHHSA-N	406.551	5.247	30	20	HKED	
Cc1c([C@H](C)NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)oc2ccccc12	515660374	XLCUMPOBUNPUPN-INIZCTEOSA-N	421.472	5.066	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1	518165477	FXZLZNNYYIWERB-SBUREZEXSA-N	419.525	5.989	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1ccccc1OC	518259413	KSUYQZRTYZKCTJ-ZWKOTPCHSA-N	411.571	6.095	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1	518743006	IETWUIUTNKONAX-QWHCGFSZSA-N	409.338	5.794	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl	520940363	PCHVRSFXVIFKBC-KBPBESRZSA-N	422.381	6.613	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2	520954079	UHEUNBBWOUGFBX-SQFNAUOLSA-N	413.496	5.482	30	20	HKED	
C=C(C)COc1cc(CN[C@H]2CCc3c(Br)cccc32)ccc1OC	520960246	VAMSNEIMACIQQJ-IBGZPJMESA-N	402.332	5.190	30	20	HKED	
COCCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	521151927	QLBWRCRPYGQABB-CVEARBPZSA-N	419.447	5.057	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCC(=O)c3ccc(F)cc3F)cc2)c1	521328471	VAUGQBQHLSOGEP-UHFFFAOYSA-N	406.388	5.230	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1	521769060	MAQHAFJXEGLXJG-IBGZPJMESA-N	404.341	5.220	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1	521797772	UWPDWFPTOVTINC-CQSZACIVSA-N	411.527	5.525	30	20	HKED	
CC(C)COc1ccc(C2(C(=O)Nc3cccc(OCCCC#N)c3)CCC2)cc1	521866275	FMYSZOGAHOFSNJ-UHFFFAOYSA-N	406.526	5.464	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523881778	RZACLBUQFBFEMN-UHFFFAOYSA-N	401.853	5.148	30	20	HKED	
N#Cc1nnc2ccccc2c1NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1	525707519	HSAFVBBKVKCYFA-UHFFFAOYSA-N	420.451	5.105	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4ncsc4C3)cc2Cl)cc1	526090645	RMQYWWHJUCDKKT-UHFFFAOYSA-N	410.886	5.051	30	20	HKED	
N#C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	530637834	RLIPOHMFGMLRTP-CVEARBPZSA-N	416.321	5.002	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CCCC[C@H]1c1ccccc1C(F)(F)F	533049486	IKSUCQZLPPSSPA-KRWDZBQOSA-N	407.461	5.194	30	20	HKED	
Fc1cc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C(F)(F)F)c1	533448568	YAZQGFJCMXQPPM-UHFFFAOYSA-N	421.360	5.017	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2ccccc2CCC(F)(F)F)CC1	533947898	HRVIZKKPOCOMOZ-UHFFFAOYSA-N	416.443	5.173	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n([C@H](C)C2CC2)n1	537413848	ZDUVTUVTPDJSQA-GOSISDBHSA-N	414.509	5.174	30	20	HKED	
C=CCN(C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1nc2c(s1)CCCC2	537682456	PUJNPACBZWZFBN-UHFFFAOYSA-N	405.445	5.355	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)cc(F)c1N	538346973	WZSGDXQFHAMHIJ-UHFFFAOYSA-N	409.848	5.073	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(C)c2-c2ccccc2)cc1	539292668	GJLUHKYSSSLGNA-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
N#CCc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1	546074754	DYFWMPAPMIANTK-UHFFFAOYSA-N	412.243	5.295	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c2ccccc21	553909910	VUJIJIZSLXCOJA-IBGZPJMESA-N	423.969	5.605	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1	554425177	RGEGDMDSSFFYAA-UHFFFAOYSA-N	417.307	5.088	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c1	558326679	VMLOKAKRATXHMY-MRXNPFEDSA-N	424.329	5.066	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nccc2ccccc12	560595948	SNMJQRVPDQLYIX-ZDUSSCGKSA-N	403.638	5.280	30	20	HKED	
C=CCOc1ccc(CNC(=O)Nc2ccccc2COCc2ccccc2)cc1	570648184	QLUWRHZOOQPMMN-UHFFFAOYSA-N	402.494	5.290	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc3cc(F)ccc3c2C)c1C	579767790	LCRHGNUEZNIFDP-UHFFFAOYSA-N	404.470	5.275	30	20	HKED	
Cc1ccc(CN(Cc2cccs2)C(=O)CCCCCC#N)c(Br)c1	588728237	XHUQKKRTOBKEMK-UHFFFAOYSA-N	419.388	5.822	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3cc(C(F)F)nc4ccc(Cl)cc34)CC2)nc1	588815498	JKIHTPDSPVGQOE-UHFFFAOYSA-N	413.859	5.173	30	20	HKED	
Cc1csc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1C#N	589035398	HLQIEURJOFIVLY-UHFFFAOYSA-N	407.442	5.252	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)c1	589739971	GEDVUAIRQSQIQG-UHFFFAOYSA-N	401.510	5.752	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)s2)cc1	603650121	ORQHXJIQACWOJG-UHFFFAOYSA-N	418.497	5.066	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(C(C)(C)C#N)cc1	603757085	JBIBLIQNZYQGNO-LJQANCHMSA-N	415.331	5.292	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2C#N)C1	603946548	MKABHVWJKIALAN-CQSZACIVSA-N	417.490	5.041	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)c1	609064278	ZFIPNLZQUXIYAY-QZTJIDSGSA-N	402.416	5.444	30	20	HKED	
Cc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CC2	609296347	LQSZLOATKMHWAQ-VWLOTQADSA-N	413.496	5.405	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2ccccc2)n1	609378673	YXDSDSQJBAYMBU-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1	609382726	RBLSZHDVUOFZGP-JTQLQIEISA-N	421.400	5.056	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)Nc1cccc(Oc2ccccc2)c1	609385904	RAQSHXRFAKLOPJ-UHFFFAOYSA-N	403.507	5.535	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC(C)C	609429606	RMUHWUILECTGHZ-UHFFFAOYSA-N	402.450	5.399	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)cc2)c1	609433752	GJKZEQXLDCFPDE-HSZRJFAPSA-N	417.465	5.157	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	609460429	OZRFSGWISWIPQD-HWPZZCPQSA-N	417.214	5.161	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1	609646066	AUWHUDSMOUBTFL-FQEVSTJZSA-N	413.546	5.108	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609736654	QQFJJDNFZCSICW-UHFFFAOYSA-N	405.841	5.153	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2)c1	609930209	WQYSVWMMSZTEEU-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1(c2cccc(F)c2)CC1	610094427	HWJCLNDJWICPGA-UHFFFAOYSA-N	401.441	5.609	30	20	HKED	
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	610142713	LDDVYSXOOLKLLY-UXHICEINSA-N	422.598	5.067	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	610929944	YMYLWNWHQBLKQV-JTQLQIEISA-N	424.398	5.244	30	20	HKED	
C=CCOc1ccccc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	615121511	RCPDQVGFIHPRQM-QGZVFWFLSA-N	418.468	5.134	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	618810641	AXWOHSFXWKEHEE-VBKZILBWSA-N	420.513	5.177	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cc(F)c(Br)cc2Cl)cc1Cl	619802755	OTIUBBZVGUDFHE-UHFFFAOYSA-N	417.065	5.088	30	20	HKED	
C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@](C)(C#N)C1	619830130	OJPSDJDGXHHEIT-QHCPKHFHSA-N	418.570	5.083	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c3ccccc3n2)o1	642281324	ZUJCMCQKNHCNNA-SFHVURJKSA-N	406.445	5.180	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc2ccccc2s1	677793428	ULRAXUXJWWDLPH-GFCCVEGCSA-N	411.458	5.847	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	682053168	PFUFBHJCZPXDAQ-SNVBAGLBSA-N	410.280	5.339	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	682777170	HEOYSSUUPJLPSB-GASCZTMLSA-N	422.413	6.133	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2ccc(C)cc2)c1	726572403	CKARPIPSZAHBMZ-UHFFFAOYSA-O	413.566	5.711	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccc(Sc3ccccc3Cl)cc2)cc1	727936604	SMCGBPNDXXVGND-UHFFFAOYSA-N	423.925	5.715	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cccc(O[C@H](C)C(=O)O)c1	728441726	OXPLNKZZAVCOTF-IWMPZKFUSA-N	411.454	5.006	30	20	HKED	
Cc1nc(CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)oc1-c1ccccc1	730398469	JAHKUVXXKFEGEW-IBGZPJMESA-N	413.502	5.583	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1	730502894	HIPZKYBJUGJBAC-UHFFFAOYSA-N	404.469	6.175	30	20	HKED	
N#C[C@H](C(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1nc(-c2ccccc2)cs1	731938079	BJAOZCYGLGABFS-CQSZACIVSA-N	424.938	5.308	30	20	HKED	
CC(C)n1cc(/C=C2/CC(c3ccccc3)C/C(=C/c3cnn(C(C)C)c3)C2=O)cn1	732714190	TWIXDPZWUCGLAG-OASZVOALSA-N	414.553	5.855	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1	733789299	JUUXVZHGECLORQ-INIZCTEOSA-N	417.490	5.167	30	20	HKED	
C=CC[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccncc1	734455849	OJBILDZGEXDQEG-HNNXBMFYSA-N	405.445	5.076	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)C1CCOCC1	734649799	LNVHXYWRCFIGGS-VGOFRKELSA-N	409.555	5.228	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	738894448	FFFVFHYMVFAARF-CLLDFNAGSA-N	409.533	6.060	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1	741469777	MXBJXJRLBQBICO-NTEUORMPSA-N	404.462	5.284	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038386	SMDHIPNROFTKSG-GXTWGEPZSA-N	421.369	5.820	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	752166540	XLWIQAIDCKKBDI-LSDHHAIUSA-N	421.369	5.820	30	20	HKED	
Cc1[nH]c2ccc(Cl)cc2c1C=Nn1cnnc1SCc1ccc(Cl)cc1	752719780	AQIUTNZXJHLHDB-UHFFFAOYSA-N	416.337	5.549	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc(SC(=O)N(C)C)c2)n1	753061325	QMKRJWPSHHNUDJ-UHFFFAOYSA-N	411.474	5.347	30	20	HKED	
CCC(=O)c1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1F	756936070	GONLCSZJQZSLLH-UHFFFAOYSA-N	418.443	5.272	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	761339146	WXWLYVDTZDWZTC-UHFFFAOYSA-N	403.825	5.159	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)cc1	761854460	WNBIVOOKQIXUQG-SFQUDFHCSA-N	423.822	5.232	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@@H]2c2ccsc2)c1=S	764888046	BZKPARRUBRTHCT-LJQANCHMSA-N	412.584	5.132	30	20	HKED	
C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1	765101385	XRYAGLXWWIPBAK-WOJBJXKFSA-N	416.521	5.093	30	20	HKED	
COc1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1OCCCC#N	770289113	BVYQUGRKARLZNZ-BJKOFHAPSA-N	422.569	5.246	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	771852218	YUQMLLPSOTZZTR-NTUHNPAUSA-N	408.367	5.227	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(-c2ccccc2OCC)c1	772246842	USXATAKAFWJBLM-UHFFFAOYSA-N	421.500	5.501	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	773430403	YPHQBMRXBKWGMQ-RNODOKPDSA-N	408.851	5.891	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1	774118523	JGWPOGWQJSBTLW-FLIBITNWSA-N	402.821	5.049	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCc2c(Cl)cccc21)c1nc(-c2c(F)cccc2F)cs1	776084418	ODVRRFLUQNABGL-KGLIPLIRSA-N	414.864	5.648	30	20	HKED	
Cc1ccc(SC2CCCC2)c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c1	776335879	CZTNXHLMTXQSGH-UHFFFAOYSA-N	415.902	5.715	30	20	HKED	
C[C@H](N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)c(F)c1	779083229	VWZMEHNLEVSSPK-NYHFZMIOSA-N	409.505	5.773	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1	779103932	GGTIPRKJCRUQTA-WIOPSUGQSA-N	404.485	5.394	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2)c1	780165022	PDQSPWVCWMXCEZ-CLOONOSVSA-N	414.505	5.860	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1ccccc1O[C@H](C)C#N)c(C)n2C1CCCC1	780166958	USWUPXUSVFGZON-MRXNPFEDSA-N	417.509	5.617	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(F)c1	781108327	PCZNNMUCPHADLG-WZUFQYTHSA-N	404.828	5.499	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)OC(=O)CC(C)(C)C#N	786424329	WRSZTJAESLFTBE-LBPRGKRZSA-N	407.333	5.425	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2csc(Cl)c2)cs1)c1ccc(F)cc1F	787185561	DKFARZUDRMFEOP-HWKANZROSA-N	424.881	5.717	30	20	HKED	
CCN(Cc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1)C(=O)OC(C)(C)C	793039335	WLPOSULUVQSGRS-OAQYLSRUSA-N	421.541	5.470	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1	795990424	KLDXYULBOFQFKU-RDPSFJRHSA-N	416.452	5.136	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1	796895270	APOIZRJPQHWZND-SFHVURJKSA-N	420.557	5.225	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1C#N	799310355	WVDZZVFOXNUQOL-UHFFFAOYSA-N	423.394	5.390	30	20	HKED	
C[C@H](OC(=O)CCCCCC#N)c1nc2cc(Cl)ccc2n1Cc1ccccc1	805697865	JFWIFEGHSGYECM-KRWDZBQOSA-N	409.917	5.816	30	20	HKED	
CCO[C@@H](c1noc(CSC(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F	809532619	IAAMNGOUPDLLSA-LLVKDONJSA-N	404.307	5.106	30	20	HKED	
CC(=NNc1ccnc(Br)c1)c1sc(-c2ccc(F)cc2)nc1C	814904715	VYJQFUOTTAUUTR-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
FC(F)(F)CCc1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1	904868520	DCJIGYLDNIJATO-UHFFFAOYSA-N	410.211	5.521	30	20	HKED	
N#Cc1cccc(OCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1	916112479	DGLXARYKTYAMBA-UHFFFAOYSA-N	410.307	5.068	30	20	HKED	
O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1cc(Cl)ccc1Cl	916137512	BQUKAAJZEWRODB-VMPITWQZSA-N	413.304	5.274	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(s1)CCCC2	916905330	NIRNWASGQSAUTK-GOSISDBHSA-N	416.502	5.380	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	920113974	WEIHEMDWWVGKFZ-GHTZIAJQSA-N	402.519	5.505	30	20	HKED	
C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	921005219	COTRJDUNYWFJFX-GOSISDBHSA-N	402.469	5.288	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cccc(Cl)c2)nc1O	1124852012	PRAPVMLZDZBCFP-UHFFFAOYSA-N	405.885	5.030	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cc1C#N	1520784548	AVFWTIUEZWGSHY-UHFFFAOYSA-N	413.861	5.093	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccccn3)CCC2)cc1	1789455455	UJCWWWQKTMLHLY-DENIHFKCSA-N	417.553	5.088	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(C)C)CC1	1801815084	HCDSJRYCXKUOEA-HRMJIJJXSA-N	402.623	5.079	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCC2)CC1	1829064394	CNJATTODPMADOM-OAQYLSRUSA-N	402.623	5.179	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1	1831374688	RWJJQHALCNQUHC-REWPJTCUSA-N	416.650	5.425	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(C)c(C)c2)c1	11163899	LJVBWRCUGWBXMT-UHFFFAOYSA-O	409.600	5.629	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3cnn(C(C)C)c3n2)s1	14527605	QBDNYRBZITXVPT-UHFFFAOYSA-N	415.522	5.368	30	20	HKED	
C=CCN(C(=O)c1ccc(Cl)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	15606862	FZWQVNGRPFRSPP-UHFFFAOYSA-N	417.849	5.344	30	20	HKED	
Cc1c(C#N)c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2c1CCC2	22121134	NECWUVMMWRCNET-LLVKDONJSA-N	406.338	5.177	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)n1	22360854	WXZUKLHHUUIFAB-SFHVURJKSA-N	401.535	5.280	30	20	HKED	
CCOc1ccc(-c2nc(COc3ccc(C#N)cc3Cl)cs2)cc1OC	28141576	OARUOOFEOJRQMV-UHFFFAOYSA-N	400.887	5.321	30	20	HKED	
CC(C)c1ccccc1OCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	32288423	ALQYDLBUFIRPPO-UHFFFAOYSA-N	400.478	5.278	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)cc1	36834957	BTNFJPYMDOFOMY-VAWYXSNFSA-N	409.486	5.375	30	20	HKED	
COC(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	46861628	IJMQONJRCKEMMJ-HXUWFJFHSA-N	404.853	5.034	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C	48100014	ZABSKHVLCHIHJM-UHFFFAOYSA-N	411.571	5.149	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Cl)sc3Cl)c2)c1	55771916	OSEHFMFSUOHGLY-UHFFFAOYSA-N	416.289	5.431	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccoc1C	60384047	WLLYHHKNPONMRX-KRWDZBQOSA-N	424.570	5.584	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OCC	60488294	ZIVOUHOUPVPZRO-LJQANCHMSA-N	420.534	5.796	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C	63962147	SNKIABAAGWPMCN-UHFFFAOYSA-N	413.308	5.157	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCCOc1cccc(Cl)c1	72098927	JUIUKRUUYMVIQL-UHFFFAOYSA-N	419.909	5.007	30	20	HKED	
N#Cc1ccnc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1	97363613	JBLFWYMBWSXCJI-UHFFFAOYSA-N	409.923	5.528	30	20	HKED	
N#Cc1cccc(NC(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)c1	108362537	LOPWEAXEGVMAIE-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)OCc2ccccc2Oc2cccnc2)c1C#N	109870558	WZHNWTBWNDVEGK-UHFFFAOYSA-N	417.490	5.097	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4cccc(C#N)c4)nc(O)c23)cc1	206895935	AWZZHMVVUNHCIO-VCHYOVAHSA-N	403.894	5.981	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1	303562749	LNVRQVBKIPKKQL-DEOSSOPVSA-N	411.505	5.290	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1cccs1)C1CC1	409479688	YARCPTBTTPIURP-GOSISDBHSA-N	423.351	5.499	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2ccccc2COCc2ccccc2)c(Cl)c1	426131769	SEYBPUSOSKRKKM-UHFFFAOYSA-N	405.885	5.250	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2NC(=O)c2ccsc2)s1	430592573	CHWDZNXIMWOFMW-OAHLLOKOSA-N	409.536	5.244	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1	435657803	YICQECASRPRGRN-ZDUSSCGKSA-N	411.449	5.138	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1	437433228	WWWRKPWWQDLCLR-KESTWPANSA-N	406.869	5.060	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	438056801	SCNVVAYKZCHTHM-UWJYYQICSA-N	413.562	5.951	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1cccc(Cl)c1	438069770	CMZJLTVIPZYGEI-LSDHHAIUSA-N	403.935	5.323	30	20	HKED	
CCCCOC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1	438211338	HTZPLYDLBPPSCO-UHFFFAOYSA-N	423.513	5.172	30	20	HKED	
Cc1ccc(C[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccn2)cc1	438633628	OCUNZJKDDKYZMI-NRFANRHFSA-N	424.426	5.386	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H](C)c1cccnc1	438661509	SGBRZJFSBZVNIP-INIZCTEOSA-N	404.445	5.500	30	20	HKED	
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12	444229252	VUQWDZHUEDOOKK-OPAMFIHVSA-N	409.917	5.104	30	20	HKED	
Cc1onc(CC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)c1C#N	444435023	KQXLUEQJHGHJGU-UHFFFAOYSA-N	424.869	5.091	30	20	HKED	
Fc1ccccc1-c1noc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)n1	444606653	GZIJBEXMXBHSOW-OAHLLOKOSA-N	419.300	5.288	30	20	HKED	
C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccsc1	460383715	COFXWTXJICDOMB-MRXNPFEDSA-N	418.364	5.015	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1	464814721	NHBOCMODTVJXOD-IEBWSBKVSA-N	413.308	5.315	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1	469665040	XRLZOVQLWNVIAK-GJZGRUSLSA-N	401.482	5.238	30	20	HKED	
COc1cccc2c1CC[C@H]2NC(=O)c1ccccc1Sc1ccccc1C#N	470110209	FIIQZDBUHSGURD-HXUWFJFHSA-N	400.503	5.135	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470539715	LTSPRBNUUMZMHL-QHCPKHFHSA-N	418.541	5.178	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473450370	AVCYAIYONOZGNN-GUYCJALGSA-N	420.365	5.463	30	20	HKED	
C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	480117289	AJVAXBGMMAGRSO-JXFKEZNVSA-N	404.901	5.615	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	482012732	DXPAZYXBDUTBTE-MGPUTAFESA-N	402.416	5.348	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1ccccc1	483154546	QFXGEAIVGLOUNP-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3o2)nnc1-c1ccccc1	486994934	HHLGGRGGDCWQTK-UHFFFAOYSA-N	416.428	5.583	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCCCC2)cc1C	489418781	QFFOHZXJDDEYNE-UHFFFAOYSA-N	404.558	5.691	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1ccc(Br)cc1	499439687	WRLWSIWVRUCONO-NJYVYQBISA-N	405.295	5.087	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1F	505928754	TWCJZTZXUJECDC-GOSISDBHSA-N	422.287	5.112	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)cc1Br	509865975	PNZZBGCFYXRLLV-OAHLLOKOSA-N	412.312	5.075	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCSCc1ccccn1	513292519	SWERUBFKOOMTBA-UHFFFAOYSA-N	419.525	5.258	30	20	HKED	
N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)c(C(F)(F)F)c1	515521770	VCPVGICTFBYHDB-UHFFFAOYSA-N	422.472	5.101	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1csc(Cc2ccccc2)n1	517195158	YTLGOXCHNOQJJB-UHFFFAOYSA-N	423.541	5.381	30	20	HKED	
C=C[C@@](C)(CCOC)c1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	517201987	ZNZAZFBDUPPYMU-FQEVSTJZSA-N	420.296	5.711	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1	523928049	ZFVBVDVSFNZSBX-UHFFFAOYSA-N	404.495	5.398	30	20	HKED	
N#CCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1	524100381	MRTKVEFNJIXLRY-UHFFFAOYSA-N	412.424	5.225	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1	524831817	IHZBUGROVMUCIP-UHFFFAOYSA-N	405.542	5.029	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cc(-c2ncco2)ccc1C	534040011	RXXZUFKBHHZKON-UHFFFAOYSA-N	424.460	6.266	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)c1cccc(Br)c1	535021943	XUBIJMLRXRSJAA-SFHVURJKSA-N	419.706	5.028	30	20	HKED	
COC(=O)COc1ccccc1[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543426449	AGMRSSLGRUZSDZ-MOPGFXCFSA-N	414.505	5.189	30	20	HKED	
C=C(C)Cn1c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C	549692930	XWCFKTMUEYYOSW-CYBMUJFWSA-N	413.513	5.011	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H](NCc1ccccc1)c1ccco1	553212555	NKYUXWMAUXRZCE-RUZDIDTESA-N	421.500	5.079	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nccn1-c1ccccc1	561747569	DNNLQTNOKWYNEG-FQEVSTJZSA-N	408.505	5.174	30	20	HKED	
N#CC[C@H](Cc1nc(CCCc2ccccc2Br)no1)c1ccccc1	571124449	BERNTVKXVSZYFZ-GOSISDBHSA-N	410.315	5.247	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	576131436	PKGLTMMMWNVHSD-UXHICEINSA-N	405.464	5.191	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3[C@H]4CC[C@H]3CC(Cc3ccccc3)C4)cc2)nc1	581658520	TVFCJPGOGNYNAR-ZEQRLZLVSA-N	423.516	5.371	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2cccc(Oc3ccc(Cl)cc3)n2)no1)c1ccccc1	583228537	CSJDQPHLAPPWMM-KRWDZBQOSA-N	416.868	5.817	30	20	HKED	
COc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	603532909	FKDDJTHOJDSQOK-SFHVURJKSA-N	418.468	5.015	30	20	HKED	
CC(C)CN(C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccc(C#N)cc1	603618654	AWDJWFOQVQBPEB-UHFFFAOYSA-N	412.537	5.451	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604046428	GYZBIOCXJFNXEZ-HNNXBMFYSA-N	421.884	5.452	30	20	HKED	
Cc1ccn2cc(-c3ccc(NC(=O)CSCc4ccc(C#N)cc4)cc3)nc2c1	604076562	XBKIUTQVYBDBPF-UHFFFAOYSA-N	412.518	5.053	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Br)c3)cc2)c1	609063764	BANOROLIKKGNIC-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cnc(-c3ccccc3Cl)s2)c1	609067065	PYKTZHQTHRAPSC-UHFFFAOYSA-N	405.813	5.189	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N1CC[C@H](C)Sc2ccccc21	609384768	SJKDQUHGZJIRBG-IRXDYDNUSA-N	411.596	5.268	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc2)nc1	609497402	PNRCOIZAOZUUPY-UHFFFAOYSA-N	413.433	5.039	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1C	610053696	ILOAKNYUVROPSA-RPWUZVMVSA-N	406.489	5.256	30	20	HKED	
COc1cccc([C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c1	610355038	FUKXGUPTDNYPLI-HJPURHCSSA-N	419.912	5.370	30	20	HKED	
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2ccccc2F)s1	610809914	MOYSJKCTWAAKBG-MRXNPFEDSA-N	406.530	5.140	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-n2cccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1	613404936	QSDWBEMCUMQPBC-MRXNPFEDSA-N	411.408	5.596	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	618561401	FCSPWLKERHZFEB-IBGZPJMESA-N	424.378	5.044	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622477653	GQQNNZRCCWSQRL-SJCJKPOMSA-N	421.356	5.833	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccccc2)cs1	642281755	PQUYGYLZUKTQIB-MRXNPFEDSA-N	421.909	5.080	30	20	HKED	
O=C(CCc1cccc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	680968695	ALRLABLJHXESEG-CHWSQXEVSA-N	421.303	5.227	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)OCc2csc(C3CCCC3)n2)c1	726689598	PRXJYCDYHLDRRU-UHFFFAOYSA-N	408.479	5.201	30	20	HKED	
Cc1oc(-c2ccccc2)nc1COC(=O)c1occc1COc1cccc(C#N)c1	726691994	PLNUUQZPJOWICQ-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	728062591	PWDWNMBWLCXPMX-KRWDZBQOSA-N	417.534	5.298	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(C4SCCS4)c3)c2)cc1	728460620	QNQIXWKTLDZWDL-UHFFFAOYSA-N	418.543	6.081	30	20	HKED	
COCCOc1ccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1	730464817	JXDXWWYJCFQVAR-SAPNQHFASA-N	409.482	5.187	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-c3ccccc3OC)c2)c1	733845128	MLDPDICDPIJIMD-NRFANRHFSA-N	415.493	5.365	30	20	HKED	
C=CC[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccncc1	734457103	GFQWFNPFEDPWRF-GOSISDBHSA-N	416.308	5.410	30	20	HKED	
CC(C)[C@@H](CC1CCCCC1)C(=O)OCC(=O)Nc1ccccc1SCC#N	734613245	BEGSLLVZLYBPHN-GOSISDBHSA-N	402.560	5.027	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	739153442	BYTFNDZCIRSCLK-YWZLYKJASA-N	424.422	5.385	30	20	HKED	
CCCOCc1ccccc1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740034914	FWEGLKAECUJRFM-UHFFFAOYSA-N	419.550	5.213	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(Cl)c1	740774789	JHSCZQLEHRBXRF-UHFFFAOYSA-N	406.269	5.464	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1	743093275	QKQJWYWBPNTGHC-XZOQPEGZSA-N	419.912	5.505	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)NCCc1ccccc1	745724760	WEDFXYIZJZLNIC-UHFFFAOYSA-N	403.526	5.130	30	20	HKED	
Cc1ccc(-c2nn(CN(C)C[C@H](C)C#N)c(=S)n2-c2ccc(Cl)cc2)cc1	746706959	SELIUVDHRPLUND-MRXNPFEDSA-N	411.962	5.081	30	20	HKED	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	748833442	BGORJZCTDXMGMZ-RBZFPXEDSA-N	421.950	5.067	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	748833477	CNBQOFOHYRGBHR-UPJWGTAASA-N	406.454	5.665	30	20	HKED	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	748944756	WPQMEDJPOPQATK-DEOSSOPVSA-N	415.493	5.246	30	20	HKED	
CCN(CC#N)C(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1	751109438	QVRPLQUEMZNPTA-OQKWZONESA-N	402.519	5.240	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2csc3ccccc23)cc1C#N	752309086	XQRYNVVJVWBFKW-CYBMUJFWSA-N	408.483	5.224	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)c1	752313874	HOTBSLLCEHAEKO-ICSRJNTNSA-N	404.432	5.196	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(F)c(C(F)(F)F)c2)cc1	755588310	PNHCLLAEDPZVBR-OQFOIZHKSA-N	404.363	5.053	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN(Cc1ccccc1)C[C@@H](O)c1cccs1	756060980	XTBHWTIZOGUZSY-HXUWFJFHSA-N	412.942	5.040	30	20	HKED	
COc1ccc(-c2ccccc2)cc1/C=C/C(=O)c1ccc(OC)c(NC(C)=O)c1	756789739	ZMCAJUFMVNHCQZ-FMIVXFBMSA-N	401.462	5.225	30	20	HKED	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	757656769	CGENPGAAJHSTPV-IAGOWNOFSA-N	400.478	5.129	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cc1	757818252	JJCRNYWKMBMSFG-DNQXCXABSA-N	423.516	5.910	30	20	HKED	
C[C@H](OC1CCCCCC1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	761049393	QKSMTNFGEKSICP-SWLSCSKDSA-N	410.461	5.619	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)s1	764117575	PICOOXLWIVRYKB-AWEZNQCLSA-N	416.568	5.235	30	20	HKED	
N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c(Cl)c([N+](=O)[O-])c1	764303045	VCFLXWKRZHBIAQ-WDEREUQCSA-N	410.644	5.169	30	20	HKED	
COc1ccc(-c2nc(S[C@H](C)c3ccc(F)c(Cl)c3)nc(O)c2C#N)cc1	769658809	DXCIGUWZMKHLAM-LLVKDONJSA-N	415.877	5.375	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(N(CC)C(C)C)cc1	770098406	GHTSUIUVFRAQDN-QFIPXVFZSA-N	405.542	5.007	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)nn1-c1ccccc1	772552516	WQMXSCGWHQILHQ-NRFANRHFSA-N	422.488	5.110	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)OC[C@@H](C#N)Cc3cccs3)c2c1	772743501	UBGVUHJMHMVEMF-QGZVFWFLSA-N	413.502	5.206	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN[C@@H]2CCCCC2(C)C)cs1	773123961	HSLIHKDVZNUSCN-GOSISDBHSA-N	404.967	5.373	30	20	HKED	
COc1ccc(CN[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1C#N	778217049	DOJSOXBGLULYAU-NRFANRHFSA-N	407.514	5.081	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1	778298319	PZEHHKADWTVCAK-LJQANCHMSA-N	420.852	5.102	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cn1c(SC(F)F)nc2ccccc21	789889374	MSFQIHKXPWUPNI-UHFFFAOYSA-N	415.509	5.842	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)sc2cccc(F)c12	797569233	OULKRRVGCFMPKD-NSHDSACASA-N	402.516	5.431	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H](c3ccccn3)C2)c1	798722098	ZURGRUFKKXLQAH-QGZVFWFLSA-N	403.869	5.029	30	20	HKED	
COCCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	799905573	XAPKCDXURUKSFJ-RMMBEPAUSA-N	418.006	5.072	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(COCc2ccco2)c1)c1ccc(Cl)cc1F	806216708	XOQOHRAYKBDNRJ-OAQYLSRUSA-N	412.848	5.285	30	20	HKED	
COc1ccc(C(=O)/C=C/C(C)=C/c2cccc(C(F)(F)F)c2)cc1NC(C)=O	806572308	ZBTUVRPOJIKPLU-DTCTWCMCSA-N	403.400	5.515	30	20	HKED	
COc1ccc(-c2ocnc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	808240415	UMFRLQIOYXSUPU-JOCHJYFZSA-N	409.445	5.258	30	20	HKED	
COc1cc(NCc2ccc(C#N)cc2C(F)(F)F)ccc1NC(=O)OC(C)(C)C	810147977	BSLNTLYZTRUQKK-UHFFFAOYSA-N	421.419	5.545	30	20	HKED	
COc1cccc(/C=C\C(=O)c2ccc(F)c(Br)c2)c1OC(F)F	810248176	UUFXAANUOFWUQM-VURMDHGXSA-N	401.178	5.094	30	20	HKED	
CCc1sc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1Br	815941526	FTLCLYGOONDOQC-SECBINFHSA-N	409.305	5.312	30	20	HKED	
CN(C)Cc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c1	821022979	WRXYWDZXNJDOIV-BUHFOSPRSA-N	418.924	5.550	30	20	HKED	
CN(C)C(=O)c1ccc(Cl)c(NCc2cccc(OCc3ccccc3C#N)c2)c1	863996721	YKGGFVRNJPAIMM-UHFFFAOYSA-N	419.912	5.105	30	20	HKED	
CCCCCC/C(C=Nn1c(SC)nnc(C(C)(C)C)c1=O)=C\c1ccccc1	912832099	NERPYRFHEBSTDD-OGJCAIDHSA-N	412.603	5.546	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1	915085924	QLDMWTIOZOQXBB-DEOSSOPVSA-N	420.516	5.903	30	20	HKED	
CCCCCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2OC)cc1	916277663	OPAKYYRDNXSHHQ-UHFFFAOYSA-N	410.543	5.084	30	20	HKED	
COc1ccc(Cl)cc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916647142	MTAAQYDSJUTNOY-NRFANRHFSA-N	405.885	5.326	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1	916843650	ADTUNCJIYWOSBO-KRWDZBQOSA-N	414.328	5.112	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)nc2ccccc21	916845019	NQPNBIOFSDKEJP-IXDOHACOSA-N	412.518	5.109	30	20	HKED	
C[C@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2C1	916927156	DNJVACVXCSCMRT-GWCFXTLKSA-N	407.322	5.141	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)-c1ccccc1C2	916928655	QKRBZRJHJCMRGF-LJQANCHMSA-N	421.283	5.526	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1sc(-c2ccccc2)cc1C#N	917714120	WEFFHCPKJZPRFG-OAQYLSRUSA-N	413.502	5.189	30	20	HKED	
C=CCc1cc(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc(OC)c1OC	919711044	OHODUSNJVQXSSA-HNNXBMFYSA-N	422.550	5.355	30	20	HKED	
Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccccc3OCC#N)nc12	919979225	VKBLDSBROIXURX-UHFFFAOYSA-N	413.502	5.354	30	20	HKED	
C[C@@H](C#N)OC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12	920705707	MKXWVUDZINORQS-FYJFLYSWSA-N	413.296	5.298	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2csc(-c3ccc(F)cc3)n2)cc1OC	920759859	ITRLVMRNSPWANC-UHFFFAOYSA-N	420.893	5.561	30	20	HKED	
CC(C)CCOC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	921235753	ZSLUJONTAMBCQD-XMMPIXPASA-N	405.542	5.401	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)[nH]n3)CCC2)cc1	1786102959	ICDSVGZXZJQNQA-UHFFFAOYSA-N	420.557	5.049	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3C)cc2)CCC1	1787318421	GAFHCVGINFCKQW-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1	1790894341	QRBZOGCJKQMLPK-KRWDZBQOSA-N	402.494	5.393	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccs3)CCC2)cc1	1791299365	DZHOFMBHOBYYTF-ZHACJKMWSA-N	416.493	5.107	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4sc(C)cc4[nH]3)CCC2)cc1	1791583961	GDJMNLIPWRTSNT-UHFFFAOYSA-N	419.550	5.089	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826265103	RXNQPKAAVASRQV-DEOSSOPVSA-N	414.634	5.345	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1	5858204	SAKVXLFQNFNEGY-UHFFFAOYSA-N	406.555	5.159	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2S[C@@H](C)C#N)cc1	8750839	NTOVVWRPJPHIPQ-VQIMKDEXSA-N	416.333	5.691	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1cccc(C)c1	11389712	TVYSCEAITZXSSE-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
CN(Cc1ccc(Br)o1)C(=O)Nc1cccc(C#Cc2cccs2)c1	43996019	ANLVEYQGUHYPIO-UHFFFAOYSA-N	415.312	5.167	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)C(C)C)cc1	44401949	QCSLUFLQNJATKJ-CJAUYULYSA-N	408.590	5.373	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)s2)o1	97263097	XTFZRQXPSHWNAJ-UHFFFAOYSA-N	420.519	5.191	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(-c3cccnc3)cc2)c1	237839128	FDUIZMSRJQAYNZ-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1	303305504	PNYCHFOMRNCEHV-CHWSQXEVSA-N	409.338	5.651	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303674010	KLIXQDLBOVKHCG-UHFFFAOYSA-N	423.303	5.589	30	20	HKED	
C=CC[C@@H](CC)NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1	410121590	NZIJEXAOLRVHPR-GOSISDBHSA-N	415.331	5.094	30	20	HKED	
CC(C)(c1ccc(NC(=O)Nc2ncccc2OCCCC#N)cc1)C(F)(F)F	429620527	HPXGIHXQZBZCTD-UHFFFAOYSA-N	406.408	5.248	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)ccc1F	430712783	IOLDFZJTGURIFY-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)C[C@@H](CC#N)c2ccccc2)ccc1Br	431131191	ZLRMCEYVBQUALW-NQIIRXRSSA-N	411.343	5.509	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1SCCC#N)c1ccc(Br)cc1	432680563	RIWKWUIYQLEGCH-AWEZNQCLSA-N	403.345	5.587	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC3(CCC3)[C@H]2C(C)C)cc1	432850764	LHQPDNUXNXPFMW-JOCHJYFZSA-N	405.498	5.402	30	20	HKED	
CN(Cc1cc(F)cc(F)c1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	434188526	XJOZIKXRPBWNAQ-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
N#Cc1cccc(C2(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)CC2)c1	435103221	YKPJGNVJUZQVQB-UHFFFAOYSA-N	421.953	5.259	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1F	437485670	ZIBRPCAZMCCBPP-QHCPKHFHSA-N	402.425	5.132	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)Oc1ccccc1F	438223433	GWOPHJHZNAFRQW-INIZCTEOSA-N	405.429	5.079	30	20	HKED	
Cc1c(C(=O)N[C@@H](CCC#N)c2ccccc2)sc2nc(C(F)(F)F)ccc12	439657978	IXAQTFMWBFOKSK-HNNXBMFYSA-N	403.429	5.398	30	20	HKED	
CCc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1	439660526	JEYAFWKULCRAGU-MRXNPFEDSA-N	403.457	5.491	30	20	HKED	
C=CCC[C@@H](NC(=O)CSCc1cscn1)c1ccc(C(F)(F)F)cc1	441537412	CLRBKSMESQXWIC-MRXNPFEDSA-N	400.491	5.219	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	442207811	MSHSNLSDEFWOHB-UHFFFAOYSA-N	402.332	5.064	30	20	HKED	
FC(F)(F)C[C@@H](NCc1cnc(C(F)(F)F)s1)c1ccc(C(F)(F)F)cc1	444004063	WFVQFUWNUZYAEE-LLVKDONJSA-N	422.316	5.964	30	20	HKED	
CCc1noc(CC)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	445825561	IQUYTASPPFUMKI-IBGZPJMESA-N	407.901	5.289	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2Br)nnc1-c1ccncc1	460860316	MUJSLZLOQKORIK-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
C[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(Cl)c2ccccc12	463264268	YRYQTDCYMHDIHN-HJPURHCSSA-N	419.912	5.209	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1c(F)cccc1Sc1ccccc1	463714094	VICMXZDQBPKHOL-INIZCTEOSA-N	422.550	6.481	30	20	HKED	
CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1-c1ccccc1	464415385	WHYHTUXCLRPRTB-INIZCTEOSA-N	412.415	5.209	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)nc(-c2ccc(Cl)cc2)n1	464419032	UADKYSJDBLCBRB-HNNXBMFYSA-N	416.790	5.009	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1	465429096	GYRSMZBQTXEKGD-YSSFQJQWSA-N	401.432	5.248	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F	466415561	GDKCQNGALWKBRL-OAHLLOKOSA-N	405.311	5.114	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)o1	466852298	NNXZVVNICHPZDN-HSZRJFAPSA-N	416.477	5.262	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1	467705001	OENVACSJIWYYME-IAGOWNOFSA-N	405.527	5.007	30	20	HKED	
CO[C@@H]1CCOc2c(NC(=O)c3ccccc3Sc3ccccc3C#N)cccc21	468696816	XZTAOVZGXQBXGM-HXUWFJFHSA-N	416.502	5.432	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)o1	472687581	RBIHXPHJLHVDBM-TZIWHRDSSA-N	423.900	5.406	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cccc(C(F)F)c1	475892338	PQFZFVDUMKBBEI-UHFFFAOYSA-N	401.482	5.581	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc(O)c2c(C)c(C)sc2n1	476800907	FGJUEIAVHZYTCS-UHFFFAOYSA-N	409.555	5.437	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](c2ccco2)C1	479969788	WBUNRUUWRZEXIO-KXBFYZLASA-N	406.511	5.204	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	481354217	XAXIYYTXZHVCAP-UHFFFAOYSA-N	404.514	5.048	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1C	481367370	CXKXJICBZOIZAG-SFHVURJKSA-N	420.582	5.682	30	20	HKED	
CCCc1c(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2)cnn1-c1cccc(C#N)c1	482523545	GETUWHGEWYKQGE-KOSHJBKYSA-N	413.525	5.311	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2)c(C)c1Cl	483229545	BINOAAQNLBNSIF-FQEVSTJZSA-N	400.869	5.181	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3nnc(-c4ccsc4)s3)c2)cc1	483464559	MVSYSCAAYHAEGU-UHFFFAOYSA-N	404.476	5.183	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	483989677	VYCYBQMTSGASEJ-INIZCTEOSA-N	419.790	5.317	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)cc1	485357029	XAKOPRZVICMISH-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)c1ccccc1	488630459	QNYTWSUKOUVTQP-HXUWFJFHSA-N	406.457	5.668	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1OC	490401115	RYRJDRHMOONEBO-UHFFFAOYSA-N	404.510	5.070	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@@H]1CCC[C@H](C(F)(F)F)C1	493466033	PPYSQJVNMQUSFG-GBIKHYSHSA-N	419.312	5.376	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C(C)C	499428945	ZLSCFUUNRRDUFT-UHFFFAOYSA-N	402.498	5.579	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3(c4ccc(F)cc4)CC3)c2)cc1	501454330	XYBHFJZYGYXKLL-UHFFFAOYSA-N	400.453	5.141	30	20	HKED	
CC[C@@H](C)c1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1	502818347	PQVBLKQEPFBGPO-CQSZACIVSA-N	423.310	5.032	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCCCCC3)n2)o1	504492358	FGPSADUUNAQFGI-UHFFFAOYSA-N	423.460	5.035	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1cccc(Cl)c1Cl	505337736	LQGYRSCFBXXDLZ-ZDUSSCGKSA-N	408.335	5.102	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F	506858434	OCTFPBLVOBUDKY-UHFFFAOYSA-N	409.383	5.081	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](c2ccccc2C)C1	508291421	XHFUIJTYZSPQNC-NRFANRHFSA-N	411.505	5.989	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)[C@@H](C)c1ccc(C#N)cc1	509572676	COEJPJUEVAPTLL-SFHVURJKSA-N	423.520	5.039	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(Br)c1	510479885	QOANZASPBVVLPJ-NSHDSACASA-N	409.736	5.607	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	511912711	WGEZCMLQTCCKNI-QUCCMNQESA-N	401.432	5.055	30	20	HKED	
COc1ccc(C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)c2ccc(OC)cc2)cc1	512613340	RRTQELOUPCCGRF-SSOJOUAXSA-N	404.485	5.349	30	20	HKED	
C[C@H](N[C@@H]1c2cc(Br)ccc2SC[C@H]1C)c1ccc(C#N)cc1F	512626299	SZUXBHFBWGBWMQ-UFYHVXEKSA-N	405.336	5.594	30	20	HKED	
N#C[C@@H](C(=O)c1cc2sc3ccccc3c2s1)c1nc(-c2ccncc2)cs1	512970050	NJROECSSQXVCKO-AWEZNQCLSA-N	417.540	6.125	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	513198318	CEXKTFBAADBGMP-CQSZACIVSA-N	408.914	5.301	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1	513941911	IAVQFCLMHGQWRS-HNNXBMFYSA-N	407.901	5.544	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	514820358	LOIGXLQVWXVUQM-RBUKOAKNSA-N	412.493	5.464	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccccc1SCCC#N	520805587	MOSSMAOOCCRXHD-CYBMUJFWSA-N	421.385	5.574	30	20	HKED	
CCN(Cc1ccc(C)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	521221798	XLDBVPCSZQGTDT-UHFFFAOYSA-N	423.567	5.065	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	521387384	KHOKUZRMUZTTLW-MRXNPFEDSA-N	416.456	5.027	30	20	HKED	
C[C@H](S[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(C#N)cc1	522840484	MYYNYAXCRHBZRO-NWDGAFQWSA-N	412.864	6.052	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1	523011045	AWXOLIIJIQGHDN-HZPDHXFCSA-N	401.963	5.829	30	20	HKED	
C[C@@H](CCc1ccco1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	523146118	DCMSHBAVZMQSJS-SFHVURJKSA-N	405.473	5.023	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1ccc(C#N)cc1	523906833	RMNJLNYJTHEZAD-HNNXBMFYSA-N	400.320	5.002	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](Sc2ccccc2C#N)c2ccccc2)c([N+](=O)[O-])c1	525083179	KVMOINRNCNKPAA-NRFANRHFSA-N	403.463	5.247	30	20	HKED	
CCN(CC)C(=O)Nc1ccc([C@@H](C)NCCSCc2ccccc2C#N)cc1	536865453	ZVNYWCYZVDVECK-GOSISDBHSA-N	410.587	5.016	30	20	HKED	
COc1cc(CNC2(c3cccc(F)c3)CC2)ccc1OCc1cccc(C#N)c1	537087129	CMWQSMRKJCEYLE-UHFFFAOYSA-N	402.469	5.064	30	20	HKED	
C=CCC[C@H](NCc1nnnn1-c1c(C)cccc1C)c1ccc(C(F)(F)F)cc1	538232426	BHXSURLONQGQBY-IBGZPJMESA-N	415.463	5.095	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)cc1	542199268	BDVFXZGKMHBMMP-UHFFFAOYSA-N	423.394	5.162	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1csc(-c2ccc(OC)c(OC)c2)n1	552210139	NXPMNERHVVJEIA-UHFFFAOYSA-N	410.539	5.024	30	20	HKED	
C=CCC[C@@H](NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccco1	552280711	QSXVNULEWOYSRZ-LJQANCHMSA-N	406.448	5.200	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C1CCC(OC(F)F)CC1	563828324	RAYWVBHWTYYAJQ-UHFFFAOYSA-N	403.294	5.043	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccnc(-c2cccc(F)c2)c1	569276624	HDGGASIVXKKUNB-MRXNPFEDSA-N	421.497	5.299	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)sc1-c1cccc(Cl)c1	588348521	PHHXGWAJQPEBFK-HNNXBMFYSA-N	420.843	6.281	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	588994462	VESKRFRIZGIJDT-WOVMCDHWSA-N	418.419	5.330	30	20	HKED	
Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc2)cs1	589541592	AWWPFBNAUHWIHA-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1CCc2ccc(F)cc21	592494603	MIBJCGTZQYQHKH-HFAKWTLXSA-N	412.349	5.022	30	20	HKED	
CCN(Cc1ccccc1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603692233	DUEAKGJXPIKHNR-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c3cccnc23)o1	603953034	IPNLJDODJMYQQZ-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1	607005293	AYRMSWXDBJKRJH-UHFFFAOYSA-N	417.509	5.170	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2c(s1)CCCC2	607289229	FBTOIVTYNKHRML-HUUCEWRRSA-N	422.472	5.243	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	607772337	VHUPRHOHMJHCIE-UHFFFAOYSA-N	420.321	5.466	30	20	HKED	
FC(F)(F)COc1ccccc1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608493127	CIZQYIPZFVOKAZ-RYUDHWBXSA-N	409.292	5.190	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1F	608847158	GNYVLWYGRXOMNJ-SFHVURJKSA-N	402.469	5.603	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	608963847	VHDXKCVVGLFIAF-HSZRJFAPSA-N	420.871	5.231	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCCOc3ccccc3F)cc2F)c1	609105395	YGBSXCIUILQXPE-UHFFFAOYSA-N	422.431	5.213	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(-c3ccccc3)ns2)c1	609855012	DCJPAZPPTAALPG-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
CCOC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	610016314	OQNGMWWHOQMAQD-UHFFFAOYSA-N	415.449	5.100	30	20	HKED	
CCc1nc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cs1	610335037	IDXJDOGEUZFCBO-UHFFFAOYSA-N	410.474	5.172	30	20	HKED	
CCCOc1ccc(CN(CCC)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1OC	610407575	ZQLIXJDEHUAAME-GOSISDBHSA-N	409.530	5.038	30	20	HKED	
CCn1c(SCc2ccc(C#N)cc2Br)nnc1-c1ccc(F)cc1	611492023	FOHKUGVHZDGJTD-UHFFFAOYSA-N	417.307	5.031	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1OC	614178821	FMOUDFYWIYVFSA-XMMPIXPASA-N	414.549	5.579	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)N[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cs1	619503968	MUFFECLWMANSAD-UONOGXRCSA-N	424.957	5.321	30	20	HKED	
CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	642281794	LFGUADNIGXVOJW-GOSISDBHSA-N	423.925	5.548	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(C)c1	644492629	ASUBBTHWBOTNBH-UHFFFAOYSA-N	412.946	5.214	30	20	HKED	
CC[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674501507	OOCMSLWEBOLULK-AVGNSLFASA-N	421.303	5.398	30	20	HKED	
CCC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	675204040	ZBGFRERVFCMOKF-SCRDCRAPSA-N	418.328	5.188	30	20	HKED	
O=C(c1ccc(F)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	676037583	DDQHOJWRVVDHSM-YUMQZZPRSA-N	411.239	5.047	30	20	HKED	
Cc1cc(Br)c2c(c1)C(=O)/C(=C\c1cccc(OCCCC#N)c1)CO2	726743549	LQEDRCQXMDUREM-WJDWOHSUSA-N	412.283	5.099	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1	727954195	MGBJKXLVUQFMLS-VLIAUNLRSA-N	407.901	5.225	30	20	HKED	
CCOC(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	729375473	HDKOGEAZPPFDOM-UHFFFAOYSA-N	401.422	5.171	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCSc1nc2ccccc2s1	731026030	VPLZYVCVFZPUKR-AWEZNQCLSA-N	413.593	5.669	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@@H](C)C1CCCCC1	731076933	ISHYTOFVSLLDNN-IAGOWNOFSA-N	402.560	5.169	30	20	HKED	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)CC1	731117623	XLHBKOZSPRDJCJ-IBGZPJMESA-N	422.598	5.496	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C2SCCS2)cc1	731333329	YGCPRZPGYGOSTE-AWEZNQCLSA-N	400.594	5.812	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C2(Sc3ccccc3)CCCC2)ccc1OC	733229946	JNLTWTVAGJQMCP-IBGZPJMESA-N	424.566	5.097	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc1	733679516	JOXSBWMYQCYCQZ-DEYYWGMASA-N	416.880	5.107	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccc(Cl)c(Cl)c1	735319824	DZVPGAFJDFUEKX-UHFFFAOYSA-N	415.729	5.421	30	20	HKED	
COc1ccc(Br)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	741540660	YELLSWPDFNTSFY-FQEVSTJZSA-N	421.294	5.365	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccc(C#N)cc1	741844025	MPAAYOYHVJYGJQ-ZRDIBKRKSA-N	424.416	5.117	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CC2	741849799	ZYUTUAGNCNLPTC-LDADJPATSA-N	418.518	5.357	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1scnc1C)C(=O)c1ccccc1	742431272	GHZKIQPGAMHYJR-XSFVSMFZSA-N	404.535	5.481	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CCc3ccccc3F)n2)cc1	744060798	BKQWHHNOZIPALN-KXBFYZLASA-N	408.498	5.403	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCOc2ccc(F)cc2)cc1	746659634	MPRZTJRJWXJEGE-QHCPKHFHSA-N	403.457	5.072	30	20	HKED	
COc1cc(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)ccc1SC	747614330	DQSPMWKUMZXRHF-ALCCZGGFSA-N	401.919	5.292	30	20	HKED	
N#Cc1cccc(NC(=O)C2CCN(Cc3ccc4oc5ccccc5c4c3)CC2)c1	749250042	HZEGZASXBFTYPN-UHFFFAOYSA-N	409.489	5.308	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCc5cc(O)ccc54)c23)cc1	750934160	ARUGHXZJHYMSSY-UHFFFAOYSA-N	416.506	5.225	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)c1	755164070	AGMMDKVOOCDGDP-ISKFKSNPSA-N	417.484	5.095	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc2ccccc2n1C(F)F	759222474	QDNLQZBGXCMWNC-ZBTGYSDGSA-N	422.822	5.523	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)c1	760385831	BVKIDXYRKRGLLM-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
COc1ccc(OC)c(C=NO[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1	760434084	ULZOETHVJHHKBK-LLVKDONJSA-N	422.268	5.172	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](O)c1ccc2ccccc2c1	762280736	IOFUFLNILOBRBA-QHCPKHFHSA-N	424.525	5.326	30	20	HKED	
COc1ccc2oc(/C=C/C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)cc2c1	763288951	DGFGNLOSZVBDFJ-XYOKQWHBSA-N	410.491	5.054	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cccc(OCc3ccc(F)cc3)c2)c1	766468607	IGYVABFDIZIBNC-HSZRJFAPSA-N	404.485	5.375	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)cc1	766615146	CDQOKRXTMLCNSH-GUYCJALGSA-N	411.324	5.553	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2cccc3ccccc23)n1	774333482	DTLXFJWOCXTGSK-QGZVFWFLSA-N	420.440	5.533	30	20	HKED	
C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(SC(F)(F)F)cc1	791702658	LRKAGFDJHAILDE-CXAGYDPISA-N	404.413	5.157	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3ccc(O)cc3C2=O)cs1	794960504	UFMBYYOOAQKJCR-XNTDXEJSSA-N	424.909	5.399	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)c1	795751560	HDOINLOINUYXRX-KRWDZBQOSA-N	404.470	5.324	30	20	HKED	
COc1ccc(C#N)cc1CN[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	796469103	FHIIBJJZEUENIJ-GOSISDBHSA-N	408.716	5.249	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	799604164	WAORTINBIALSHV-INIZCTEOSA-N	410.926	5.815	30	20	HKED	
COc1cccc(O)c1C=Nc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1	812392182	IIRKPNUEKZHWQH-UHFFFAOYSA-N	422.440	5.105	30	20	HKED	
C[C@@H]1C(=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC[C@H](C(=O)O)C1(C)C	814926967	RILASKWUPQMZHP-IUODEOHRSA-N	420.435	5.087	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	818251258	FJDABXQYYMOZHZ-UHFFFAOYSA-N	421.507	5.061	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc(CSC3CCOCC3)c2)c1	864011888	YCNPNMCYUJZSKV-UHFFFAOYSA-N	417.372	5.345	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(F)cc2OCCC(F)(F)F)c1	864027595	GZNGSTSZKDQJTN-UHFFFAOYSA-N	417.200	5.403	30	20	HKED	
O=C(c1cc2c(Br)cncc2s1)N(O)Cc1cccc2ccccc12	901371274	QNWGCXXCWDSQBM-UHFFFAOYSA-N	413.296	5.244	30	20	HKED	
N#CCc1ccc(NC(=O)COC(=O)c2sc3cccc(Cl)c3c2Cl)cc1	913331566	STTYCBRAAHHRQY-UHFFFAOYSA-N	419.289	5.070	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915179752	IEFPKIMODPGECH-JOCHJYFZSA-N	409.514	6.026	30	20	HKED	
Cc1cccc(N(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)Cc2ccccc2)c1	915216607	RGNREBSOVXJBLZ-HSZRJFAPSA-N	418.500	5.239	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1OC	916848259	IHUUTMQLPYWRDJ-FQEVSTJZSA-N	402.494	5.693	30	20	HKED	
C[C@@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917046487	DSSVNARSFHZVCA-PWSUYJOCSA-N	407.347	5.960	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1OC	917774604	NXCHCLXSKYDYHO-NTUHNPAUSA-N	418.468	5.041	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(COc2ccccc2)cc1	920101489	BNAQUMSQXJMKMA-JOCHJYFZSA-N	408.457	5.261	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cscc2C)n[nH]1	1818237681	SUSHLDRLLRNWLW-GOSISDBHSA-N	414.575	5.078	30	20	HKED	
C=CCNc1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)s1	8201749	ATQPPYWROWJYEP-UHFFFAOYSA-N	401.517	5.098	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1ccncc1	8572230	IWVDAJFZZMKBDN-UHFFFAOYSA-N	407.930	5.328	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(CC)cc2)cc1	10173360	LWJGPBISFNUMJP-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c(Cl)c1	21372457	VOFJHTFCQXAYSY-KRWDZBQOSA-N	404.897	5.902	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)c1	22729827	BRMRMXQZGVWILZ-UHFFFAOYSA-O	409.600	5.629	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3C)no2)nnc1-c1cccc(C)c1	24471982	ZVPKKJHIWLOVHR-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
N#Cc1ccc(CNC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1	46875090	JXIQSBDYHFTQMX-HSZRJFAPSA-N	406.938	5.351	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	55823979	LRTYGPGEBNPMCB-MJGOQNOKSA-N	416.443	5.639	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	56212903	ZOMBGWSABPTQJE-UHFFFAOYSA-N	405.502	5.047	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)s1	59367993	UJZPDJBJYPEYLC-UHFFFAOYSA-N	421.503	5.476	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCCC4)cs2)cc1	60666467	ZKMSZPZQBOYSQU-UHFFFAOYSA-N	407.564	5.366	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(F)c(-c3cccs3)c2)ccc1OC	237020916	LUBPHFMWRGFVMR-SFHVURJKSA-N	410.514	5.534	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(CCC#N)CC(C)(C)C	303282695	UWDQGUDNLKBKIS-UHFFFAOYSA-N	421.372	5.127	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)cc2)c1	303642896	HXHBPYKRUYDIEA-PMACEKPBSA-N	404.416	5.158	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1	432678282	LUIGXANVNFWVOP-LSDHHAIUSA-N	417.372	5.976	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cc(Br)ccc1F	433753084	GDFBIJYBCTUXFE-GFCCVEGCSA-N	407.308	5.021	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1C#N	435544976	HJQKEUWBESTRFC-LJQANCHMSA-N	423.904	5.244	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)Nc3cccc(OCCCC#N)c3)c2C)c1	437776612	PUZOKFRHDHHCOB-UHFFFAOYSA-N	403.486	5.124	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1F	438671017	MJQFRMPUVZTXHV-GOSISDBHSA-N	407.470	5.920	30	20	HKED	
CC(C)=CCOc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	442879505	WDTQFNQXVULMLO-NRFANRHFSA-N	413.502	5.517	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1	443937984	IQPUQGVJKNVSOV-HOTGVXAUSA-N	415.946	5.419	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)Nc1ccccc1SC[C@@H](C)C#N	444903736	YHSUMDMETLNZJO-KBXCAEBGSA-N	421.488	6.062	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	447390042	CTJZKUPSRWSEDZ-HNNXBMFYSA-N	405.548	5.209	30	20	HKED	
N#CCCCOc1cccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1	447677360	UDCDRCINSURSBG-UHFFFAOYSA-N	416.306	5.070	30	20	HKED	
C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	460543735	CNKUCRZXSPZNIP-YJBOKZPZSA-N	407.345	5.006	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	460677955	OFTKAYWQAJDLAX-MSOLQXFVSA-N	404.297	5.043	30	20	HKED	
CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1	461303247	VXMXDXSFYYXHBI-RTBURBONSA-N	423.611	5.037	30	20	HKED	
C[C@H](C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1cccc(C#N)c1	462250666	ZNELNDXGVJJEOA-DFBJGRDBSA-N	423.516	5.278	30	20	HKED	
C[C@H](C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1cccc(C#N)c1	462420205	FMKGKLRRPKINQS-HNNXBMFYSA-N	404.407	5.168	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccoc2C(F)(F)F)cc1	463461841	RNROCPVKUKFUFV-UHFFFAOYSA-N	400.356	5.196	30	20	HKED	
C[C@H](CC(=O)N(CCC(F)(F)F)CC(F)(F)F)c1ccc(C(F)(F)F)cc1	468529695	HOUNOBOKROJKQP-SNVBAGLBSA-N	409.292	5.542	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc(-c2cccc(C#N)c2)no1	469325215	GCAFWMFDNCTKIC-AWEZNQCLSA-N	414.490	5.136	30	20	HKED	
CC[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[C@@H]1c1ccccc1	470002550	GQMIQFWJERRPQC-RDPSFJRHSA-N	414.505	5.386	30	20	HKED	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1cccc(OCCCC#N)c1	470518250	LFBOXGPRMUIBGF-OAHLLOKOSA-N	417.893	5.080	30	20	HKED	
Cn1cc(Nc2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)cn1	471102122	UUCILNSNHFYIPZ-UHFFFAOYSA-N	409.449	5.080	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)cc1Br	471261636	IPYAFRVCCPWOOL-NSHDSACASA-N	409.736	5.749	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3cccc(F)c3)c3cccc(Cl)c3)o2)cc1	471647601	QOQXNWNUJOXIOS-JOCHJYFZSA-N	418.859	5.280	30	20	HKED	
COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	474497350	SXWUKVKVKPYQKE-JOCHJYFZSA-N	415.493	5.072	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(-c3ccccc3C)noc2C)cc1	475122532	VWVVKCLSEYCLBX-UHFFFAOYSA-N	415.493	5.025	30	20	HKED	
Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1	475521453	NIUBWCXSXVQGAO-QGZVFWFLSA-N	412.415	5.226	30	20	HKED	
C=C(C)[C@H](NCc1csc(-c2cccc(C(=O)OC)c2)n1)c1ccc(F)c(F)c1	481580495	KTGDAONROBMKRJ-FQEVSTJZSA-N	414.477	5.282	30	20	HKED	
C=C(C)[C@@H](NCc1nnc(-c2ccc(OCCCC)cc2)o1)c1ccc(F)c(F)c1	481586535	LRPZAMQHFKDWTJ-JOCHJYFZSA-N	413.468	5.601	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	483022753	PTPIVTGAHCYSEG-FOIQADDNSA-N	415.459	6.122	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)CSc3ccc(C#N)cc3)c(C)c2)n1	483553761	IYGWDVVLXCOOTC-UHFFFAOYSA-N	411.577	5.514	30	20	HKED	
CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1-c1ccccc1	488228808	IJXTVDHTCKLONG-INIZCTEOSA-N	412.415	5.209	30	20	HKED	
C=CCC[C@H](C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1	488893801	FHQZNCBWGKYRGX-DVECYGJZSA-N	413.521	5.261	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCCCCC2)cc1C	489381081	UNDGLBLWDWSNNG-UHFFFAOYSA-N	423.605	5.763	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2	492094589	LJTJPTGPWOQVFS-HTXNQAPBSA-N	411.505	5.106	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)c2)cc1	498884395	OYSITRFMVMQLMN-VWLOTQADSA-N	423.447	5.404	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCCCC1(C#N)CCOCC1	499624983	JVQKUJONZZMIJH-HNNXBMFYSA-N	403.979	5.523	30	20	HKED	
C[C@H](NCCCC1(C#N)CCOCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	499732491	KXYZHEHXOZROOE-INIZCTEOSA-N	422.516	6.185	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1F	499733320	QGMIBZULVMUCRU-UHFFFAOYSA-N	400.372	5.550	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccccc1Cl	499961384	XAXBBRIUSZFDAJ-HNNXBMFYSA-N	409.923	5.673	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	501142952	OVINBTQPPNNWET-UHFFFAOYSA-N	420.494	5.505	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1	501153695	UNEZYGYAJYOJBM-UHFFFAOYSA-N	403.482	5.103	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4cccc(Cl)c4n3)cc2)nc1	505419501	DJVPTWJKQMFDNT-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)Nc1cccc(OCCCC#N)c1	506892957	GZULYOLLYOZYHB-UHFFFAOYSA-N	403.486	5.458	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	507903656	RESYYNYZBOXHCR-OPAMFIHVSA-N	411.461	5.197	30	20	HKED	
Cc1cc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1F	509913539	RWWRCMPRFXRIEI-UHFFFAOYSA-N	403.457	5.101	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1-c1ccccc1F	510313083	MNGCRVLJVRUQSU-UHFFFAOYSA-N	412.515	5.587	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C)N1CCCC[C@@H]1C	510750186	SSGSCXDWWJXGOR-OALUTQOASA-N	406.530	5.043	30	20	HKED	
Cc1c(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)ccc(C(F)(F)F)c1F	513025748	JUCCBZXYNHKIFZ-UHFFFAOYSA-N	422.300	5.296	30	20	HKED	
N#CCC[C@H](NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1	514036715	STDCRMPSBCSFQJ-IBGZPJMESA-N	403.309	5.508	30	20	HKED	
N#Cc1c(NC(=O)CSCc2ccc(Br)cc2)sc2c1CCCC2	514182687	NYPZXKZWGGFGIA-UHFFFAOYSA-N	421.385	5.133	30	20	HKED	
COC(=O)CCc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	517855379	BFGRMOGQJVPDGW-UHFFFAOYSA-N	416.502	5.067	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2	518683634	YRQQGLKNWILFFB-VQIMIIECSA-N	423.538	5.079	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C(F)(F)F	520797306	BVABDLMPKCVTDM-LBPRGKRZSA-N	414.474	5.066	30	20	HKED	
CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	523156238	KEEKJTHEYAKAHO-UHFFFAOYSA-N	412.493	5.082	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	523780952	PURNXZKTZVLPRI-LJAQVGFWSA-N	410.583	5.595	30	20	HKED	
CCC(CC)c1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)on1	525570846	WCMCUNCZYHNVGG-QFIPXVFZSA-N	403.482	5.152	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc3ccsc3c2)cc1Cl	525657781	QSQVFMRIBSXVRW-SFHVURJKSA-N	403.894	5.857	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc([C@@H]2CCCO2)s1	534078598	FPWDDLSXTIHVBZ-FQEVSTJZSA-N	419.506	5.006	30	20	HKED	
N#Cc1c(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)sc2c1CCCCCC2	534735357	GBXBHBCABDUGII-JOCHJYFZSA-N	424.566	5.154	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1	534872425	NESURWNDFQJLPX-HXUWFJFHSA-N	410.517	5.332	30	20	HKED	
C=CCCC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1	537250965	DQDZXKKTFGZLKI-AWEZNQCLSA-N	405.951	5.198	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](CC(C)C)c2ccccc2OCC(C)C)nn1CCC#N	538617779	ZMYIXWCQJREIKB-FQEVSTJZSA-N	411.550	5.049	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)C[C@@H](C)c1nccs1)c1ccc(C(F)(F)F)cc1	541480946	IRUHBDCNWKZTTB-PBHICJAKSA-N	411.493	5.614	30	20	HKED	
C[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1ccc(-c2cccc(C#N)c2)cc1	542077211	HUGPGPNYLKVWOG-HZPDHXFCSA-N	417.513	5.027	30	20	HKED	
COc1ccc(C2(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)CCC2)cc1	543304876	QVTWHBLKLXBVTQ-QGZVFWFLSA-N	409.555	5.190	30	20	HKED	
COc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543961531	WIPFVRZGLHMVSJ-OALUTQOASA-N	413.521	5.302	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nc(Cc2ccccc2)cs1	544272011	HBBJDOAKUQNIBU-NHCUHLMSSA-N	402.523	5.038	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1	554099357	TWZPDIASYADAAQ-XZOQPEGZSA-N	423.988	5.002	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)N(C)[C@H](C)c1cccs1)c1ccc(C(F)(F)F)cc1	563917810	UPCYYWXRPJKQLZ-RHSMWYFYSA-N	424.488	5.110	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCc4nc(-c5ccccc5Cl)sc4C3)cc2)CC1	566029870	XEVTWQBCSRETET-UHFFFAOYSA-N	419.937	5.217	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1cccc(F)c1	578681515	OSPBQDDODOZYFU-LJQANCHMSA-N	424.545	5.246	30	20	HKED	
Cc1c(Br)ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1F	578721033	JQPLAODJDHUQEA-LLVKDONJSA-N	407.308	5.543	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1ccccc1	582196528	GZHRJFPKXZQBPM-UHFFFAOYSA-N	408.527	5.686	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccccc2Cl)n1	603530648	RPKKNPWNJRURFQ-UHFFFAOYSA-N	423.969	5.562	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1NC(=O)Nc1ccccc1	607433314	QAZYUSKOZUWAPL-LJQANCHMSA-N	423.476	5.016	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F	608945634	SVCCIPIUONFCJS-QRWLVFNGSA-N	402.416	5.098	30	20	HKED	
CCc1c(C)sc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c1C#N	609031774	VTKCQAVBMBNVFJ-UHFFFAOYSA-N	407.973	5.890	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1[nH]c(-c2ccccc2)nc1C	609072780	ZYZXHGDEVVBQCH-UHFFFAOYSA-N	422.488	5.397	30	20	HKED	
C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(F)cc1Cl	609222198	XZKZRGHXJIIIQX-CQSZACIVSA-N	409.848	5.582	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)c(F)c1	609262758	YOWMHKQMGBJKFH-OAQYLSRUSA-N	412.436	5.125	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(-c2ccccc2Cl)s1	609378047	VJSIXBYVQHCFHA-ZDUSSCGKSA-N	413.955	5.968	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1	609430442	YIITWPCVLGTQHZ-JTQLQIEISA-N	421.400	5.199	30	20	HKED	
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609496864	MKSRMQWDOGQICS-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1	609499324	IWFLDRAPEHZSQO-QGZVFWFLSA-N	418.459	5.736	30	20	HKED	
CCC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccn1	609723983	BCOULMNKPWQAGN-OAQYLSRUSA-N	405.885	5.670	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(CC(F)(F)F)c2ccccc2)c1	609786248	ORCYKDYSVGTZSN-UHFFFAOYSA-N	410.395	5.346	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cc3ccccc3n2CC#N)c1	609908249	IVIOIWOMAGXWMH-UHFFFAOYSA-N	403.429	5.380	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)CC/C=C/c3ccccc3)s2)cc1	609965694	HQJOWIKIBZARDN-XBXARRHUSA-N	406.536	5.134	30	20	HKED	
CC[C@H](C)n1c(SCc2nnc(-c3cccc(C#N)c3)o2)nnc1-c1ccccc1	610217949	MRSSUFQOFIAYCA-HNNXBMFYSA-N	416.510	5.130	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2ccccn2)cc1C	613296379	BUVSEYXRELEAJW-QFIPXVFZSA-N	406.489	5.100	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C#Cc2ccccc2)cc1)c1nc2ccccc2n1C(F)F	642282343	FTAHGOOYRPBDNY-HXUWFJFHSA-N	411.411	5.321	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccco1	643095679	OYLQPWLLMLEUDH-CYBMUJFWSA-N	411.462	5.075	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12	679541673	WFUAQMJJLHGUAT-CQSZACIVSA-N	420.469	5.462	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1	681408742	SYDACMJPNMCETC-UHFFFAOYSA-N	414.918	5.512	30	20	HKED	
Cc1cc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)c(C)o1	726502556	HQWGVEGRHTUORT-UHFFFAOYSA-N	419.462	5.316	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	727233261	LNUVDPBLDLPYGM-NEPJUHHUSA-N	423.341	5.094	30	20	HKED	
C#CC[C@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccn1	727775250	DCGZDPOAZWFNAW-KRWDZBQOSA-N	402.397	5.145	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1	731332750	RCNRESMABIGCNQ-JQPIKURYSA-N	407.926	5.934	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2n1	732594029	YJMOJDWSRRXWHF-DSITVLBTSA-N	418.496	5.794	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	739153929	AEVXTODLVIQEJY-KSSFIOAISA-N	414.452	5.884	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc4nc(C(F)F)[nH]c4c3)c2)s1	739591492	YDQLHCHOKNKEPN-UHFFFAOYSA-N	408.433	5.031	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1Cl	741170036	NHPGRZIONGWKCV-AWEZNQCLSA-N	404.244	5.455	30	20	HKED	
N#C[C@@H](C(=O)c1sccc1-c1ccc(F)cc1)c1nc2ccccc2n1C(F)F	744937132	BPTPMXHDUKIOTO-HNNXBMFYSA-N	411.408	5.789	30	20	HKED	
Cc1cc2cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)oc2cc1C	745583258	LOOPREAAVOLLGZ-INIZCTEOSA-N	422.506	5.239	30	20	HKED	
COc1ccc(CN[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#N	746576027	JZJNYJAAZWQHQU-NSHDSACASA-N	402.338	5.455	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1	748682731	DXZKJPUFGSISHH-RUZDIDTESA-N	424.456	5.220	30	20	HKED	
Cc1ccsc1CCCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	748838795	FMAFYBOTUIWTCJ-CYBMUJFWSA-N	402.491	5.657	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	754472073	HMMNKBYAOAAWGC-UHFFFAOYSA-N	420.513	5.410	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	760182772	HSCJDXZINSFQCD-FOIQADDNSA-N	424.928	5.021	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771097557	JRRPUHZNLLPOLY-ZUURVNMSSA-N	418.468	5.127	30	20	HKED	
N#Cc1cccc(COC(=O)c2csc(-c3ccc(Br)s3)n2)c1F	774963108	XALQVTPEVPPKAK-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	780154580	VWFXJTHEOYISQE-OYHNWAKOSA-N	424.472	5.728	30	20	HKED	
C[C@@H](OC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1cccc(C#N)c1	783005887	FXXBNQMVCLHYSC-OAHLLOKOSA-N	415.474	5.158	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccc(F)cc2)CC1)c1nc(-c2c(F)cccc2F)cs1	783076825	ZDLKFQSOBLOXOS-OAHLLOKOSA-N	412.436	5.427	30	20	HKED	
O=C(/C=C/c1ncc(C(F)(F)F)s1)c1cc2cc(Br)ccc2o1	788347547	BOTHCZZPYOOGGV-DUXPYHPUSA-N	402.191	5.567	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1	789455395	KMWJFPBFPZWUKH-UHFFFAOYSA-N	415.578	5.402	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	793596211	VJYVZUIIUKLXNQ-VXKWHMMOSA-N	419.525	5.254	30	20	HKED	
C=CCC(C)(C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	796462071	VWXZLIXZXQEBIV-UHFFFAOYSA-N	400.544	5.398	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCOc2ccccc2Br)s1	797569269	ABZDCNPTTGJGGC-ZDUSSCGKSA-N	421.360	5.239	30	20	HKED	
C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	797613108	DIWKMGUFMDXDBU-AOYPEHQESA-N	413.496	5.677	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)OCCCC1(C#N)CCOCC1	800193143	KRZIVNRREKNXJG-UHFFFAOYSA-N	412.555	5.035	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)CCN1c2ccccc2Sc2ccccc21	858433241	UPNHQMVGESVFOV-UHFFFAOYSA-N	402.475	5.165	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1ccc(C2SCCS2)cc1	873723173	HZAXJUOSVPMKKJ-UHFFFAOYSA-N	416.593	5.051	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3ccc4c(C#N)c[nH]c4c3)n2)c1	904636044	PSHMKYUEXHBRGA-UHFFFAOYSA-N	401.426	5.104	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915085258	JNKZDZNJFNPVEZ-CQLNOVPUSA-N	409.489	5.189	30	20	HKED	
N#CCc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)c1	915827793	IGULJFTVYXAMNT-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1O	916129861	ALHZLCJHKRXUMH-RQOWECAXSA-N	407.647	5.459	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(C)C)c(OC)c2)cc1	916947300	HDDBWKWUEGUPNJ-LAUBAEHRSA-N	422.525	5.205	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)COCc1ccccc1	919773814	ZLTIBDNVHSOJJZ-NBGIEHNGSA-N	413.521	5.316	30	20	HKED	
CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	920108749	BGXJUKMAKVVRTI-IBGZPJMESA-N	410.926	5.671	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920138953	LZDMJYVSCCNSLC-FQEVSTJZSA-N	418.518	5.220	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3cc(C)ccc3C)n2)cc1	920142614	LQKHZZGGRFZXEK-IBGZPJMESA-N	406.507	5.081	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc2nc(O)n(CC(C)(C)C)c12	1360228134	LGHGSHOFDVOZAC-OAHLLOKOSA-N	422.554	5.292	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1	1789624026	BFEFXJOWIJUYCW-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OCC)cc2)CCC1	1790692810	FPAHUYJBOMYNJR-UHFFFAOYSA-N	412.917	5.063	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CC(=C)C)n[nH]1	1819554807	PUICRDFPWYYDJS-ICSRJNTNSA-N	412.578	5.163	30	20	HKED	
O=C(O)C1(/N=C(\c2ccc(Br)cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1	1857777148	YKXUGYSINCCLFZ-TWVDICTQSA-N	418.718	5.313	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1	4286089	JHNKRZTTXSKMBC-UHFFFAOYSA-N	406.555	5.294	30	20	HKED	
Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-]	6410310	BMJDRLZKSMWWDN-VAWYXSNFSA-N	410.433	5.047	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(F)cc2)cc1	10829038	DWUDZMGHVNBPSL-UHFFFAOYSA-O	421.561	5.652	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)c1	15644241	GQFDNKXXGJCGMM-UHFFFAOYSA-N	410.296	5.119	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1	23603903	QKDJEHIEGAGPAJ-UHFFFAOYSA-O	420.602	5.539	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc2c(c1)CCCC2	27311018	CBJRWYLVJHURAQ-UHFFFAOYSA-O	421.630	5.191	30	20	HKED	
COc1ccc(NC(=O)[C@@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Cl	30449728	SSIGQPHJFCGHKD-HJPURHCSSA-N	419.912	5.251	30	20	HKED	
CCN(C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)[C@@H](C)c1ccc(C#N)cc1	49656321	SYNVSGSIKFBTIL-HNNXBMFYSA-N	402.498	5.319	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1	64714753	KNVPLYPQRRKLNV-ZDUSSCGKSA-N	423.469	5.702	30	20	HKED	
CSc1ccc(C)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	65504446	LQNQCBGVVQFVSK-UHFFFAOYSA-N	401.491	5.093	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1	65632188	YPHIACCMHDGMKY-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](C)c1ccccc1F	97542490	DCJVWJNDBFDHDX-QGZVFWFLSA-N	402.469	5.717	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(COc2ccccc2C#N)o1	108072826	VXALJLHXHYHXLJ-UHFFFAOYSA-N	414.461	5.311	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(O[C@@H](C)C#N)cc3)s2)cc1	237473888	OWHLGDIRDHPKFT-JKSUJKDBSA-N	407.539	5.269	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(CNc3nc(C(F)(F)F)ccc3C#N)c2)cc1	301306228	UUINQLKGAVXRTQ-UHFFFAOYSA-N	410.399	5.145	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1	302965184	HCIZXELGNNURBN-UHFFFAOYSA-N	406.501	5.090	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccccc1C(F)(F)F	303238510	HSKHYRIGTSPKDV-UHFFFAOYSA-N	424.422	5.646	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccoc3)n2)nnc1-c1ccc(Cl)cc1	303296044	NOTLCTPDMDBDGL-UHFFFAOYSA-N	414.943	5.793	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1)[C@H](C)C1CC1	303297193	BZAPNPZXEUGMHF-RTBURBONSA-N	407.583	5.178	30	20	HKED	
Cc1cccc([C@H]2CCCCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)c1	303663108	DSFBRUGWVYKYAI-XMMPIXPASA-N	417.553	5.166	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3cccc(F)c3C#N)C2)n1	428948228	RTEAREMSCSGFSM-KRWDZBQOSA-N	407.514	5.209	30	20	HKED	
N#Cc1ccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)s1	429357305	NIXLJOKOEXKCAQ-UHFFFAOYSA-N	417.540	5.854	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)c1	429487634	GVXWMCSFVZWGTN-UHFFFAOYSA-N	416.864	5.172	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430626498	LHJNCYZLVCAYSR-GFCCVEGCSA-N	413.524	5.146	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1cccc(COc2ccccc2)c1)c1ccccc1	431825355	SDWFNKWOGCQIHX-VWLOTQADSA-N	413.521	5.500	30	20	HKED	
Cc1csc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)n1	438224344	KBHWTSNRDZYURW-FQEVSTJZSA-N	404.495	5.388	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCOC[C@@H]2c2ccccc2)cc1F	438667614	BZDYAMBLKJHASP-OAQYLSRUSA-N	417.440	5.095	30	20	HKED	
COc1ccc(-c2ccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)s2)cc1	440254433	WYAKUYZZOANWDN-OAQYLSRUSA-N	405.523	5.268	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@H](C)NCC3CCC(C#N)CC3)s2)cc1OC	442865337	HWTFBVSCMFHXDP-ZLPCBKJTSA-N	413.587	5.040	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)[C@H](C)CC#N	444395907	ZBFWXSTWUMGBML-CQSZACIVSA-N	418.419	5.032	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c2ccccc21	444399378	NKJIWJBVURAETG-UHFFFAOYSA-N	404.470	5.460	30	20	HKED	
CCN(C(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1)c1ccc(C#N)c(Cl)c1	445796557	YHHGTDLILWYRBW-UHFFFAOYSA-N	418.880	5.118	30	20	HKED	
C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)c1	446222592	RAFIXDREXVHSBG-GOSISDBHSA-N	417.303	5.001	30	20	HKED	
CC[C@H](N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21)c1ccc(C#N)cc1	447536739	POSUXOVEGLYMDF-SFTDATJTSA-N	403.551	5.809	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(-c3nnc(C)n3C)c2)cc1	448184767	IOYQEZYLYQZRIG-UHFFFAOYSA-N	423.476	5.015	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1	463750171	OYSPMXXIVYXXJD-CQSZACIVSA-N	404.495	5.261	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464424965	IRFWIEKGKGCUEG-KRWDZBQOSA-N	418.378	5.201	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3ccc(C#N)c(F)c3)oc3ccccc23)s1	464642586	LCFYCOFWTUFVRW-UHFFFAOYSA-N	424.482	5.148	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1C(F)(F)F	464944934	ZBOOIMOJHOJGRC-LKUPVBHCSA-N	400.444	5.497	30	20	HKED	
C[C@@H]1[C@@H](n2c(SCCCSCC#N)nc3ccccc3c2=O)CCC[C@H]1C	466622350	CLIKTLBJXSXGCX-GJYPPUQNSA-N	401.601	5.133	30	20	HKED	
N#Cc1ccc(NCc2ncc(-c3cccc(Br)c3)o2)cc1C(F)(F)F	467270209	XSQHLZCPEXTVDD-UHFFFAOYSA-N	422.204	5.607	30	20	HKED	
C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1	468304611	FXBYCYWXUOLGEI-INIZCTEOSA-N	404.432	5.046	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c2ccccc21	469456616	ISXIPZFJLKQHAS-UHFFFAOYSA-N	417.509	5.003	30	20	HKED	
CC(C)c1nnc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1	473655410	BYGZMDNYWPCION-GOSISDBHSA-N	408.889	5.073	30	20	HKED	
CN(Cc1ccccc1CNC(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCC1	475114635	XOESPIWNNJSCEB-JOCHJYFZSA-N	403.570	5.155	30	20	HKED	
C=C(C)[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)c(F)c1	475668592	FDBWUODOBDQDSW-QFIPXVFZSA-N	416.855	5.639	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	477953359	DELNRBMNKZUORJ-UYAOXDASSA-N	412.331	5.315	30	20	HKED	
Cc1ccc(-c2noc(CCCNc3ccccc3SC[C@@H](C)C#N)n2)cc1F	480038808	TUESFPPKKYQYHZ-HNNXBMFYSA-N	410.518	5.481	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCc3cc(Br)cs3)c2)cc1	482747337	ANHQVQGBTBSHBE-UHFFFAOYSA-N	413.296	5.105	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NCc1cn(CCC#N)nc1-c1ccccc1	483436876	UIZWUGOIZKDSMK-UHFFFAOYSA-N	401.297	5.391	30	20	HKED	
Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	483443515	XNRGIQNVIQZLAC-MRXNPFEDSA-N	410.930	5.251	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3Cl)o2)cc1	489796802	XYZDBULJDVKYKG-UHFFFAOYSA-N	415.902	5.076	30	20	HKED	
CCCOc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	497925876	ZPEHMKSGCHIBKA-UHFFFAOYSA-N	402.498	5.122	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc2n1	498702988	SKHZSYALGCYXHA-INIZCTEOSA-N	404.420	5.593	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c1	498746575	MHKKWEZFXTUSPE-QFIPXVFZSA-N	424.422	5.561	30	20	HKED	
C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	499241429	HEEIGLFHKBLGHD-CQSZACIVSA-N	412.331	5.229	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2CCCC2(C#N)CCOCC2)nc1-c1ccccc1	499544603	LVSUNRDXPMBILM-OAQYLSRUSA-N	407.558	5.702	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)c1	502390735	OLZVSNSEKGWUOX-MRXNPFEDSA-N	401.413	5.356	30	20	HKED	
O=C(NCC1CCC(F)(F)CC1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	504779807	ULOGTGSKQJIBTC-CYBMUJFWSA-N	416.337	5.016	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1O	505898383	IMZVLLSTFKMOGK-IBGZPJMESA-N	421.884	5.031	30	20	HKED	
C=CCOc1ccc(CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1	506787864	JYXYEUYXKXYKIG-UHFFFAOYSA-N	406.448	5.119	30	20	HKED	
CCSc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	506860531	RZKPCMXRVGUDBU-UHFFFAOYSA-N	419.525	6.044	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)cc1Br	507407301	VAZLMXDESAJRSY-CQSZACIVSA-N	403.345	5.713	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C(C)C)s1	509558501	IUIOCNYVXHIBRQ-UHFFFAOYSA-N	411.449	5.312	30	20	HKED	
C[C@H](CCc1ccco1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510023285	LVLMMIKCEKZATP-IIBYNOLFSA-N	407.901	5.731	30	20	HKED	
N#Cc1ccc(OC2CCC(NC(=O)Nc3cc(C(F)F)ccc3Cl)CC2)nc1	510066736	SUKWYKJKPXIBGB-UHFFFAOYSA-N	420.847	5.056	30	20	HKED	
Cc1nnc(SCc2csc(-c3ccc(Br)cc3)n2)c(C#N)c1C	511839599	CFDFWDSFJBWCNC-UHFFFAOYSA-N	417.357	5.143	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1	512855683	IXPPDASHIIELLS-UHFFFAOYSA-N	420.900	5.234	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1cc(F)cc(Br)c1	513092714	QNVPFYQCORRFGM-UHFFFAOYSA-N	409.258	5.057	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1	513656487	TZLQUODXQKCPNY-QGZVFWFLSA-N	402.567	5.310	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(Cl)cc1Cl	515446275	ABXMWTPCZYYLQC-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5o4)cc3)o2)cc1	516264841	UWILHGUJCOLLMM-LJQANCHMSA-N	420.428	5.343	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N	517517648	GCOQQVIGQFLTIP-CQSZACIVSA-N	415.584	5.688	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Sc2ccccn2)cc1	517518632	OWUXXEJOKUWJBH-INIZCTEOSA-N	405.548	5.879	30	20	HKED	
Cc1ccccc1OCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519053452	HPMLYWMNWIISED-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2[nH]1	520076518	QIWCVIFVIXJLJQ-GFCCVEGCSA-N	413.289	5.483	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCOc1cccc(Cl)c1Cl	521257757	KZLNIGXPQYRCHG-ZDUSSCGKSA-N	424.353	5.446	30	20	HKED	
C=CCN(C(=O)Cc1csc([C@H](C)OCC)n1)c1nc(-c2ccccc2)cs1	522687209	AIILVABVPGMJMK-HNNXBMFYSA-N	413.568	5.126	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1ccccc1	523301313	SPXVKYIFHBURDR-UHFFFAOYSA-N	414.534	5.397	30	20	HKED	
COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccccc1Sc1ccccc1C#N	525058600	JTNMCZXIBOVWPY-NOZRDPDXSA-N	414.530	5.178	30	20	HKED	
COc1ncccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	536716202	QDPBSYNEIYNXTK-CYBMUJFWSA-N	404.278	5.011	30	20	HKED	
CCC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)c(Cl)c1	537052621	MRFPNRYXQAPURQ-SFHVURJKSA-N	401.297	5.546	30	20	HKED	
C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	539085126	WIJURXZRRSHAOH-VFZGTOFNSA-N	413.308	5.387	30	20	HKED	
Cn1cc(-c2ccc(F)c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c2)cn1	541074867	LLDJQRUQAMRATN-UHFFFAOYSA-N	402.454	5.079	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1cccc(F)c1	544317777	CSLPLDHRTSLBNV-UHFFFAOYSA-N	419.504	5.278	30	20	HKED	
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1	550826470	GITARGLVXKRZQT-QFQXNSOFSA-N	424.548	5.999	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Oc4cccnc4)nc3)c2)cc1	551360789	OABKWZYARLYSOH-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1ccc(-n2nc(C)c(CC(=O)N(CCC#N)c3ccc(F)cc3)c2C)cc1Cl	554283466	NNRBASLTOPNFTM-UHFFFAOYSA-N	424.907	5.079	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)cc2)CC1	561128397	DFGIQCCBTHPZJH-LJQANCHMSA-N	400.400	5.021	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1	576251616	HMODQDFIOQVEDJ-UHFFFAOYSA-N	416.525	5.305	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2)ccn1	589471099	JSBCDPMRCBXYSS-UHFFFAOYSA-N	420.375	5.081	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4C)n3)n2)cc1	589830533	MBORDAONNKCFGZ-SFHVURJKSA-N	415.543	6.041	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Br)ccc1OCC	590339979	URFQACQOAIUCCL-UHFFFAOYSA-N	419.319	5.077	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C	603530352	NNLHDEJGNAFXOZ-UHFFFAOYSA-N	415.541	5.060	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	603754916	JODRKZXAEZARGY-MOPGFXCFSA-N	418.434	5.908	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	603968899	JVDIDWYODFMJRA-IFXJQAMLSA-N	401.491	5.134	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1	608840878	FIKDDSFIFVRBJW-BJKOFHAPSA-N	413.477	5.392	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F	608945633	SVCCIPIUONFCJS-MGPUTAFESA-N	402.416	5.098	30	20	HKED	
CN(CCc1cccc2ccccc12)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609060350	ZCMZBRUDWIFWCT-UHFFFAOYSA-N	410.473	5.198	30	20	HKED	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c12	609176220	BLEDQDIOWSDKQV-UHFFFAOYSA-N	423.476	5.070	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)c2)cc1	609208941	RDIFBBWDMXYRBS-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)C[C@@H]3CCCc4ccccc43)s2)cc1	609371548	BXIGAVCNCZRDSA-SFHVURJKSA-N	420.563	5.151	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC(F)F	609636001	FBGQOOCUDORCTN-UHFFFAOYSA-N	410.380	5.299	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	609927350	OIAHVAVYFXCLRV-CJNGLKHVSA-N	421.394	5.048	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609927830	DFOMQKNFXASCGH-VQIMIIECSA-N	416.456	5.295	30	20	HKED	
N#Cc1nnc2ccccc2c1N1CCC(c2nc3cc(Cl)ccc3s2)CC1	610128924	HKKMTFBDIZZDKY-UHFFFAOYSA-N	405.914	5.149	30	20	HKED	
CCCOc1c(Br)cc(CN[C@H](C)c2cccc(C#N)c2)cc1OCC	610345982	FTJQAJZQAQEQQU-OAHLLOKOSA-N	417.347	5.359	30	20	HKED	
CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCCO[C@H]1c1ccccc1	611266767	KXPBJXOBBDQCFW-BVAGGSTKSA-N	414.553	5.063	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(C)cc4)c3C)n2)cc1	613318391	ZWDVQIAZHYOSHD-HXUWFJFHSA-N	412.518	5.411	30	20	HKED	
CCN(C(=O)CCOCC(F)(F)C(F)(F)F)[C@H](C)c1cccc(C(F)(F)F)c1	622333782	LVSXRZAMPCOPOJ-LLVKDONJSA-N	421.328	5.219	30	20	HKED	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622477558	DFWHYXXBFCNOSZ-BDJLRTHQSA-N	423.328	5.422	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2OCCN2CCCC[C@@H]2C)n1	672586270	RACGGZKNKRRYQG-HKUYNNGSSA-N	411.571	5.010	30	20	HKED	
C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674459532	LJOADWXMFSVDPV-OPRDCNLKSA-N	401.301	5.165	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccccc1C	685558547	QWAYWYGBOODVCF-HJOGWXRNSA-N	414.553	5.359	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1	726695107	CBKLCQSPVROINZ-SDHSZQHLSA-N	411.505	5.384	30	20	HKED	
CC1CCN(c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cn2)CC1	727102998	ZPRBZXCQHQCNGN-XMMPIXPASA-N	410.521	5.226	30	20	HKED	
O=C(O)CCOc1cccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1	727685125	AWADVAPPDDPVOG-FOWTUZBSSA-N	423.465	5.015	30	20	HKED	
COc1cc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)ccc1OCC#N	727685228	DVMNLWQIKYQNBH-FOWTUZBSSA-N	420.465	5.073	30	20	HKED	
CCCN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(Cl)c(Cl)c1	727941768	DTVABFUKINRTLK-HNNXBMFYSA-N	420.340	5.579	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	727997036	QWTCKDFJLOUEDU-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nc(-c4ccsc4)no3)cc2Cl)c1	728053209	UMKMXRGNRXUENW-UHFFFAOYSA-N	422.897	5.514	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)O[C@H](c3ccccc3)c3ccncc3)o2)cc1	728147746	ZFTDWTRQTBTIAB-XMMPIXPASA-N	410.429	5.072	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)Nc2ccc3c(c2)OCCCO3)c1	728227457	KQCYBIYSACSTIY-UHFFFAOYSA-N	414.530	5.233	30	20	HKED	
Cc1ccsc1-c1nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c(=S)o1	730253452	QUDFQQJUPADQDW-UHFFFAOYSA-N	424.473	5.136	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C	731070994	ZOIUKSJMIFHDKY-ZNFPLGDCSA-N	422.550	5.059	30	20	HKED	
CCc1cccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)c[nH]c12	731768912	VZYJKSUYQGRPEJ-FQEVSTJZSA-N	415.518	5.281	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc([C@H]2C[C@H]2C)o1	732764992	ZTFSTJBQCKJNQN-PXAZEXFGSA-N	423.925	5.685	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)OCc2cc(Cl)ccc2OCC#N)cc1	735334437	XNZMBQFZTXRABC-UHFFFAOYSA-N	419.864	5.139	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1c(Cl)nc2sccn12	741842762	BQNIOXPJNBRCTP-FNORWQNLSA-N	415.883	5.582	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1C#N	752294757	NOBZHUCNRIAHQC-NRFANRHFSA-N	406.486	5.276	30	20	HKED	
Cc1c(C(=O)/C=C/c2cnc(-c3ccncc3)s2)cnn1-c1cccc(Cl)c1	753142865	AVGXKMINAUWTNM-AATRIKPKSA-N	406.898	5.249	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc2ccccc2c1	753395802	LFIGVDUOLDQJGJ-ZHRRBRCNSA-N	407.498	5.815	30	20	HKED	
Cc1sc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cc1-c1ccc(F)cc1	756538926	BEPRHZYFTSTQFY-UHFFFAOYSA-N	419.437	5.141	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cs1	759118284	USTNVINRQHBPLD-JMIUGGIZSA-N	408.454	5.200	30	20	HKED	
N#Cc1cnc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)s1	759633698	KUJHLIPJGPYPSG-UHFFFAOYSA-N	409.467	5.200	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1	760797652	RLZDHSVMGBIYND-UHFFFAOYSA-N	410.832	5.213	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Br)ncc1F	762426463	PNOIRNTXZNVABY-FNORWQNLSA-N	417.190	5.048	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Cl)c(F)c1	765578869	UUYCQCJXUGPTSC-UHFFFAOYSA-N	409.774	5.186	30	20	HKED	
C[C@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	765940195	WAKLJKJWBYVAON-ABAIWWIYSA-N	417.303	5.253	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)n1	766279343	XPXRWOKXDDQSGM-MRXNPFEDSA-N	419.591	5.308	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN(CCC#N)Cc1ccco1	768153409	FTVLEIYAJJPICS-UHFFFAOYSA-N	403.313	5.056	30	20	HKED	
CCN(c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(C)C	770117420	CXVDYWDKIYNBOV-NRFANRHFSA-N	414.534	5.407	30	20	HKED	
Cn1nc(C(F)(F)F)c(CNc2ccc(C(F)(F)C(F)(F)F)cc2)c1Cl	770665423	AJGZZUAKCLOHKJ-UHFFFAOYSA-N	407.692	5.359	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCSc3ccc(Cl)cc32)ccc1OC	772986067	NHMXTNRUZLJKAM-IEBWSBKVSA-N	416.974	5.746	30	20	HKED	
COc1ccc([C@H](CCC(C)C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777112733	HCEVCBAGFNFMRJ-DEOSSOPVSA-N	407.558	5.117	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)ccc1OC	779103557	ZKDZNRSUNCUWGU-RDGATRHJSA-N	420.940	5.909	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)Nc2ccccc2O[C@H](C)C#N)cs1	780177341	OXZSDJSKAQSQLL-CQSZACIVSA-N	409.536	5.287	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ncc(Br)s3)cc2F)c1	783587025	FEOCCBXPWIRPHY-UHFFFAOYSA-N	418.291	5.107	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	786306710	LSIQWXWAPKQXSW-DOMZBBRYSA-N	414.292	5.316	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C(=O)NCCCCCC)C1	789461377	YCUOCHJKVHXJRD-NRFANRHFSA-N	413.606	5.479	30	20	HKED	
CO[C@H]1CCOc2c(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cccc21	790570818	OPRUORBCZMDLAE-FQEVSTJZSA-N	419.506	5.078	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C/c3cnc(-c4ccccc4OC)nc3)oc12	792866153	LCXCREQPWBTWGD-VAWYXSNFSA-N	400.434	5.193	30	20	HKED	
CN(C)Cc1cnc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1	794709023	WXEGPAUDMHHXOW-ONEGZZNKSA-N	408.367	5.138	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C(C)(C)c2ccccc2Br)s1	798865510	XCJJWSOQJPTPOS-LBPRGKRZSA-N	405.361	5.357	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(C)c1	813218757	SSQAKXPINLECGL-KRWDZBQOSA-N	402.416	5.255	30	20	HKED	
Cc1c(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)sc2ccc(C#N)cc12	815657121	OVFJMIOUYKTARM-OAQYLSRUSA-N	424.953	5.321	30	20	HKED	
C[C@H](CO)n1c(C(F)(F)F)nc2cc(NCc3ccccc3C(C)(C)C#N)ccc21	864040026	OLIRVEVOKNWRHJ-CQSZACIVSA-N	416.447	5.022	30	20	HKED	
O=C(/C=C\c1c(OC(F)F)ccc2ccccc12)c1ccc(N2CCOCC2)cc1	916138393	KBVCKVGWTMGTEX-KHPPLWFESA-N	409.432	5.174	30	20	HKED	
N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1cccc2ccccc12	916917455	DBMFKCIIMWDJCG-OAQYLSRUSA-N	423.472	5.165	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1	916948743	XLENIFJOMAPLIH-ACJLOTCBSA-N	404.388	5.060	30	20	HKED	
C[C@H](Nc1cccc(N2CCCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	920061886	LGTUXHGPLYXZQD-KRWDZBQOSA-N	422.598	5.318	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C	920806952	UIOIPBSJHJFEEN-MRXNPFEDSA-N	424.472	5.545	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1	1786370076	MIVBRYIGBVBXHS-UHFFFAOYSA-N	424.585	5.074	30	20	HKED	
CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1	1786395053	OXGHICPGBOGXNS-OAQYLSRUSA-N	422.550	5.135	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1	1790091914	DULUPDIUXWPPHP-UHFFFAOYSA-N	408.885	5.410	30	20	HKED	
Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCC(C)(C)C)C3)c1	1800767046	VBWMRGHZPXWLOX-NUNAXRQHSA-N	423.601	5.115	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830348543	CDFIGCZWPMJHOO-IDSBPIFPSA-N	412.618	5.121	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CCC)cc2)CC1	1832029545	GVUIBBHGVOZKGK-RUZDIDTESA-N	422.613	5.066	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1cccc(O)c1)c1ccc(Cl)s1	10831897	WOQLBHSORBDEOJ-UHFFFAOYSA-O	424.354	5.099	30	20	HKED	
C=CCn1c(SC[C@@H](C#N)CCC#N)nc2sc(-c3ccccc3)c(C)c2c1=O	15248373	UDQAXPGQYAZVLV-MRXNPFEDSA-N	420.563	5.155	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(F)cc2F)cc1	22727299	AOTMVYZBKSHHMH-UHFFFAOYSA-O	417.526	5.236	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cccs1)c1ccc(C(F)(F)F)cn1	41554603	NHZCVDGVHGCPQF-MRXNPFEDSA-N	418.465	5.944	30	20	HKED	
CCN(C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)[C@H](C)c1ccc(C#N)cc1	45500977	CFPVYVSBMFGWIK-GOSISDBHSA-N	416.525	5.274	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccccc2OC(F)F)cc1	55823506	VCZTVBWYPMRPJW-UHFFFAOYSA-N	408.404	5.185	30	20	HKED	
Cc1cc(Sc2ccccc2)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C	56473879	IAWNLPQWSJVCOR-UHFFFAOYSA-N	418.566	5.445	30	20	HKED	
CC(C)(C)c1noc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	107877125	LDYLIDWNDDCVLL-SFHVURJKSA-N	422.916	5.247	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3ccc(-c4cccc(Cl)c4)s3)CC2)nc1	237839955	FAUJVLBJFXJXNU-UHFFFAOYSA-N	408.958	5.094	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2	252010597	RTMYWHGTDOHFHJ-UHFFFAOYSA-N	415.877	5.507	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1	303657000	VNYLDYLGTPFAIU-UHFFFAOYSA-N	409.489	5.061	30	20	HKED	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1	409892767	PJZHVUATIXUFBQ-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1	426843402	PMXDECIMXUKOOR-OAQYLSRUSA-N	415.846	5.222	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C1CC1	429641818	WQTFNAQTBLZWOA-CQSZACIVSA-N	403.404	5.654	30	20	HKED	
CC1CCN(Cc2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1	431807402	GFRMVZLVCOQBGU-VWLOTQADSA-N	418.585	5.153	30	20	HKED	
C[C@]12CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C[C@@H]1C2(F)F	432682120	PLIRKYGPHWIFFL-CUWPLCDZSA-N	415.871	5.504	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)o2)cc1	434239692	MDGYWWUYSQJWPN-UHFFFAOYSA-N	418.880	5.313	30	20	HKED	
N#CC(CCn1cnc2c(oc3ccccc32)c1=O)(c1ccccc1)c1ccccc1	434642818	MLCJCQPWJQDBPB-UHFFFAOYSA-N	405.457	5.043	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	437557809	LMNFFYVQLMDTIN-UHFFFAOYSA-N	400.931	5.007	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C)cs1	438040210	ZNNVIYXOYRXIEO-JOCHJYFZSA-N	406.511	5.562	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccccc1CN1CCc2ccccc21)c1ccccc1	439316869	RSGTYOGLNCIKFU-HSZRJFAPSA-N	410.521	5.416	30	20	HKED	
CCCc1c(NC(=O)N2Cc3ccccc3C(C)(C)C2)cnn1-c1cccc(C#N)c1	439688053	FFZNHEAXORZEAW-UHFFFAOYSA-N	413.525	5.022	30	20	HKED	
C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCCN(Cc2ccc(C#N)cc2)CC1	443674511	OAQAVJXOTOZDSH-SFHVURJKSA-N	420.944	5.136	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cc1	444893453	FTPWMUMBOCSBSG-UONOGXRCSA-N	418.360	5.726	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(F)c1Cl	463753093	VRYSQTWBLCZNQN-UHFFFAOYSA-N	402.800	5.756	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cc(C(F)(F)F)ccn1	464463111	BCZHIBJDCWKVJZ-ZDUSSCGKSA-N	407.804	5.367	30	20	HKED	
CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1	470775085	XUYORNGBFJONRK-HSZRJFAPSA-N	423.944	5.301	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1Br	472035613	SPPNHPMALQTIHZ-FUHWJXTLSA-N	403.707	5.014	30	20	HKED	
CN(Cc1cc2ccccc2o1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	472745898	FVNSAQJSSVJEPP-UHFFFAOYSA-N	402.479	5.016	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	472748368	IQBHASVVKISZAY-FPOVZHCZSA-N	422.598	5.209	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cc4c(Cl)cc(Cl)cc4[nH]3)CC2)cc1	473439345	RDXDIIDIIPHQON-UHFFFAOYSA-N	414.292	5.030	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H](C)c1sc(CC)nc1C	475262112	QUZAZTRCJWCWCP-MRXNPFEDSA-N	413.587	5.024	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC)[C@@H]1CCN(c2ccccc2)C1=O	475571509	VNSCKSRTEHSUEE-JOCHJYFZSA-N	405.542	5.198	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	475663185	SPYUXNJRMJVJQA-RLWLMLJZSA-N	415.512	5.555	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1	476121367	HAMGJXOGMIVRAA-UHFFFAOYSA-N	415.493	5.906	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)cc2)nc1	484471808	XDDYXBWGRNYQPY-LJQANCHMSA-N	415.468	5.295	30	20	HKED	
C[C@@H]1CC[C@@H](N(CCO)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	486232912	PDPACBVEXKRTFP-OZOXKJRCSA-N	411.933	5.010	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1	487314055	MRYLOHIDKLDMRT-HXUWFJFHSA-N	412.415	5.056	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1	489684575	JXURBABEGRFIRS-NRFANRHFSA-N	411.534	5.173	30	20	HKED	
Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	491575641	RSVCEWZXQWZFEM-PGRDOPGGSA-N	423.582	5.184	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1Cl	504290995	XBUPVYVQYGNUFU-FPOVZHCZSA-N	405.885	5.788	30	20	HKED	
COc1cccc(CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1F	506667256	AWEXFIWWIFJXTQ-UHFFFAOYSA-N	418.468	5.051	30	20	HKED	
CC1(C#N)CCN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1	507813864	PVBNAPQOHNDNSC-UHFFFAOYSA-N	408.498	5.630	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(C(F)(F)F)CCC1	510853265	PXFHIRRPAFTMOY-UHFFFAOYSA-N	423.248	5.018	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1Cl	511264361	DTHFSBAZKSURGE-KRWDZBQOSA-N	404.695	5.343	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](c2ccnn2C)C1)c1ccc(C(F)(F)F)cc1	511529051	OLWOJYLPZRJVQA-MJGOQNOKSA-N	420.479	5.035	30	20	HKED	
COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)ccc1OCc1ccccc1	512654688	OADFMVJQHPVDIN-ZWKOTPCHSA-N	404.485	5.697	30	20	HKED	
COc1ccc(CN(C(=O)NCC(C)(C)CCC#N)[C@H]2CCCC[C@H]2C)cc1OC	513124953	YPAMHCVZHXEELH-QUCCMNQESA-N	415.578	5.124	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)o2)c1	514975455	MPLVVMTXZQDNBJ-QGZVFWFLSA-N	423.513	5.525	30	20	HKED	
C=CCN(C(=O)c1ccc(F)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	515327632	DIXWDYWVCZHKNY-UHFFFAOYSA-N	417.849	5.344	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCc1nc2c(s1)CCCC2	517474212	WNUSDYFEVVPNIX-HNNXBMFYSA-N	414.600	5.028	30	20	HKED	
Cc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N2CCCC2)cc1	518260084	UWDQTNGXXUSCMV-SIKLNZKXSA-N	422.598	5.348	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1	520131980	ZDZUMJPOTWXBBH-KRWDZBQOSA-N	416.550	5.449	30	20	HKED	
COc1cc(C)c([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	522075291	ZDDDMKRKSLPVJL-ZBFHGGJFSA-N	413.543	5.147	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(F)cc1C(F)(F)F	524437826	BDBQLXXMMPGUOS-JTQLQIEISA-N	408.317	6.088	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1-c1ccc(OC)cc1	535263102	WQFHBDZJBKPOEW-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@H](C)c3cccc(C#N)c3)cc2Cl)n1	538633365	ABLQUTUFZWPZGW-IAGOWNOFSA-N	421.932	5.398	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1	538690793	DLYUNFIPIRPVKI-UHFFFAOYSA-N	407.857	5.462	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NCc2cnoc2-c2ccc(Cl)s2)n1	541076902	VYBCESVATPGJHR-UHFFFAOYSA-N	416.293	5.379	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CSc2cccc(Cl)c2C#N)cs1	541172690	BYLWEQSNTZFQGF-UHFFFAOYSA-N	417.918	5.784	30	20	HKED	
COc1ccccc1-c1nc2sc3c(c2c(-c2ccc(C)cc2)c1C#N)CCOC3	542517570	FTXVFLKNOIEBAN-UHFFFAOYSA-N	412.514	5.892	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC2(CCOCC2)[C@@H]1C	542635063	VSQDBKUSTWCPQP-SFHVURJKSA-N	405.498	5.082	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1	546088853	UWJZGBLVJWMLEZ-SFHVURJKSA-N	419.308	5.126	30	20	HKED	
C=CCCO[C@H](C)c1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1	547036146	WSQMZKRJPRDBQO-GOSISDBHSA-N	400.482	5.302	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc1Cl	548279641	ABGCLLQJOZQBAL-UHFFFAOYSA-N	405.813	5.189	30	20	HKED	
CCc1ccc([C@H](C#N)N(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1	556667480	GUHCYXCQSWPOQL-FQEVSTJZSA-N	409.942	5.292	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC[C@H]2CCCO[C@H]2c2ccccc2)c1	557716653	YFPBASBAQUTCGC-SQHAQQRYSA-N	412.533	5.395	30	20	HKED	
COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(Br)c1	559467675	NYNAUURKIPKDBA-UHFFFAOYSA-N	401.285	5.105	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1c1csc(C)n1	565802889	JPVAQPLQEAPBFZ-QGZVFWFLSA-N	420.369	5.544	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1	575160392	CAHWRZNXFOWOBI-LJQANCHMSA-N	421.497	5.005	30	20	HKED	
C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1	578085478	FICQDNMCYSDATQ-INIZCTEOSA-N	421.476	5.087	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1	584018863	BBTRWVDSEBPYBL-IBGZPJMESA-N	415.331	5.015	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)s2)c(C)c1	592974096	NROWIVFRWKYCMB-INIZCTEOSA-N	421.522	5.974	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)n1	600819912	PDXYKTDEEUZONW-LBPRGKRZSA-N	419.535	5.196	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H](C)c1ccc(C#N)cc1	603510536	WYAAXNYOYWVNBZ-IBGZPJMESA-N	406.489	5.210	30	20	HKED	
Cc1cc([N+](=O)[O-])ccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	608798062	MUDLDCJAPAAAEA-CYBMUJFWSA-N	405.357	5.022	30	20	HKED	
CC(C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609064764	HGYVHSSNSVMWAT-UHFFFAOYSA-N	402.519	5.890	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1	609066640	OOXRKNAAYJHJJC-UHFFFAOYSA-N	419.840	5.118	30	20	HKED	
CCN(Cc1ccccc1C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	609231609	DSAPXZLANBMMAM-UHFFFAOYSA-N	400.526	5.051	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1-c1ccccc1	609377260	SHKVQSWKWJWCBO-GOSISDBHSA-N	402.519	5.623	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCCOc1ccc(F)cc1	609398656	IBQULKKTVMQDHO-INIZCTEOSA-N	401.507	5.058	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccco3)C3CCCC3)cn2)c1	609468984	DKRMJPMNVMGYCD-UHFFFAOYSA-N	402.454	5.315	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(Cl)cccc2s1)c1ccccc1Br	609591583	VNGNMCZDSYEBSI-CQSZACIVSA-N	405.704	5.312	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1coc(-c2ccccc2)n1	609967842	KQVORFPEKSZDDZ-UHFFFAOYSA-N	411.436	5.508	30	20	HKED	
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	610019120	DBUKGCIOBNXHAQ-MSYCTHLASA-N	407.583	6.252	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cn2)c1	610040340	QQAPEVDKEMKIDA-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1	669727578	VZTXERGZANNLGL-UHFFFAOYSA-N	424.541	5.243	30	20	HKED	
C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1OC(F)F	675738622	QOGQTYNWSZBIGA-DCAQKATOSA-N	405.329	5.848	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)coc12	681173525	DXISEHQCXQTVSW-MRXNPFEDSA-N	405.251	5.542	30	20	HKED	
C=CCOc1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1Cl	727470109	BDHHQFWWZZSIKW-UHFFFAOYSA-N	422.903	5.265	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccccc1	730687476	XIIFMZCRGXEYHD-AJTFRIOCSA-N	406.485	5.794	30	20	HKED	
COc1cc2c(cc1NC(=O)Nc1ccccc1SCCC#N)oc1ccccc12	731042102	DDWXMOMOOOOCSD-UHFFFAOYSA-N	417.490	6.244	30	20	HKED	
N#C[C@H](C(=O)CC1CCC(c2ccccc2)CC1)c1nc2ccccc2n1C(F)F	731136051	LWVQWEGKGHWJGF-NKELODKYSA-N	407.464	5.972	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c(C#N)c2n1CCC2	731938343	PLCDIUJHGWBZJH-CSKARUKUSA-N	403.463	5.147	30	20	HKED	
C#CCOc1ccc(CN[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1	733325082	VVXNBLXOAKLKIY-HXUWFJFHSA-N	401.506	5.137	30	20	HKED	
C#CC[C@H](OC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)c1ccccn1	733691384	MVLJWYBIYRKGCK-QFIPXVFZSA-N	409.445	5.028	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(SCc3ccccc3)cc2)c1	733772629	AYYLNSKFRXGDSS-QFIPXVFZSA-N	416.546	5.590	30	20	HKED	
C=CC[C@@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccncc1	734455650	JWBORJPYRIHKNS-JOCHJYFZSA-N	419.550	5.152	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)c1c(Cl)nc2ccccn12	737446002	KSFKFPYQADZAMD-ZHACJKMWSA-N	411.292	5.090	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1	737529861	ONUDZSDPBKZDJY-INIZCTEOSA-N	411.427	5.334	30	20	HKED	
C=CCCCCCN(C)Cn1nc(-c2ccncc2)n(-c2ccccc2C)c1=S	739884864	KSCQHZSUNDXPPX-UHFFFAOYSA-N	407.587	5.409	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C)C(=O)Nc1c(C)cccc1C	740328660	JDQKONPTVKWDES-OAHLLOKOSA-N	421.415	5.071	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)ccc2C)c1	742004456	DEXUAQVLAHFPPS-UHFFFAOYSA-N	412.449	5.307	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc(CC#N)cc1)Sc1ccc(Br)cc1	743081323	DKROBZFTQSJKRD-UHFFFAOYSA-N	418.360	5.208	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(C=Nn3c(S)nnc3[C@H]3CCCCO3)o2)cc1	743452621	SQQGBIOGRJBGQL-LJQANCHMSA-N	410.543	5.248	30	20	HKED	
CSc1cccc([C@@H](NC(=O)c2ccccc2OCC#N)c2cc(F)ccc2F)c1	744372561	IJFQUZKWTAHJGT-JOCHJYFZSA-N	424.472	5.108	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)N(Cc2cccc3ccccc23)C2CCCC2)c1	745894074	NBCGPZKUMRCFTB-UHFFFAOYSA-N	401.485	5.505	30	20	HKED	
CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	746125814	MVKYYDSZYUYNHM-FQEVSTJZSA-N	414.534	5.292	30	20	HKED	
N#Cc1csc(/C=C2/CN(C3CCCCC3)C/C(=C/c3cc(C#N)cs3)C2=O)c1	748441283	WOCAKHBHSJCDRB-LVTUVZGMSA-N	419.575	5.237	30	20	HKED	
CC[C@H](C(=O)NCc1cccc(O[C@@H](C#N)CC)c1)c1cccc(C(F)(F)F)c1	752313875	HOTBSLLCEHAEKO-QUCCMNQESA-N	404.432	5.196	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H](O)c3cc4ccccc4s3)c2)cc1	757567260	XVTTXRRMJUSVND-OAQYLSRUSA-N	414.486	5.029	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccco3)c2)cc1	758598905	QBZBVWFCJPIYHG-SIKLNZKXSA-N	417.465	5.064	30	20	HKED	
COc1cc(CSCc2nnc(C(C)(C)C)o2)ccc1OCc1cccc(C#N)c1	759169649	UFXOYKIZUXKIQN-UHFFFAOYSA-N	423.538	5.260	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c(Br)c1O	761013689	XGUJBLGUWIAAPZ-ALCCZGGFSA-N	410.267	5.121	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cncc(C)c2)cc(Br)c1OC(F)F	767366804	JDIAXPCIRWFZQG-SNAWJCMRSA-N	412.230	5.049	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1ccncc1	768366261	WLLHGAQHXGNYCP-MOPGFXCFSA-N	418.310	5.147	30	20	HKED	
C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1ccccc1C	768411685	MAXRGHWIJAZETN-UHFFFAOYSA-N	424.595	5.506	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3cc(Br)ccc32)c1	772982068	CYZJHLJMIBAUED-FXAWDEMLSA-N	415.331	5.134	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1	777566506	VOCIZNKAMAMSQR-PKTZIBPZSA-N	415.468	5.517	30	20	HKED	
C[C@@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccc(OCC#N)cc1	779078110	RLEMMMJLLSAWTL-UZLBHIALSA-N	400.906	5.363	30	20	HKED	
C/C(=C\c1ccc(C)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	779196326	BDRDUBCENJBJQB-GPZRYRNASA-N	400.450	5.061	30	20	HKED	
N#CCC1CCN(Cn2nc(-c3cccc(Cl)c3)n(-c3ccccc3)c2=S)CC1	781572188	NWSHZXUEHBFIQZ-UHFFFAOYSA-N	423.973	5.307	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c[nH]c2ccccc12	786311844	NQBXPHADSQEQSA-KBXCAEBGSA-N	419.937	6.315	30	20	HKED	
N#C[C@@H](C(=O)C(F)(F)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	796634645	MJDKGLCOUUTXJB-INIZCTEOSA-N	402.853	5.518	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(C2CCC2)c1	798816122	HRSHKWCOJUQNIF-JOCHJYFZSA-N	410.473	5.708	30	20	HKED	
N#CC1(CCCNc2ccc(Cl)cc2C(=O)c2ccc(F)cc2)CCOCC1	799967603	LFXPUORNWJBPTE-UHFFFAOYSA-N	400.881	5.223	30	20	HKED	
Cc1c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n[nH]c1C1CC1	806212660	WWXGJIVZGKXBSW-SFHVURJKSA-N	405.889	5.548	30	20	HKED	
Cc1ccc2sc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2c1	811347623	XDWADSZQVRURJF-OAHLLOKOSA-N	424.547	5.257	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2C)cc1	813210883	AOGCREZLAHXIMO-LJQANCHMSA-N	413.399	5.007	30	20	HKED	
C=C(C)COc1cc(CNc2cc(C(=O)N(C)C(C)C)ccc2Cl)ccc1OC	864004236	WVWHXUDYXINSRS-UHFFFAOYSA-N	416.949	5.396	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c2ccccc21	904713387	IJPQKOPKRBLAIY-UHFFFAOYSA-N	407.271	5.425	30	20	HKED	
N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccccn1	915099040	RULYBSAROJJVEY-HXUWFJFHSA-N	401.416	5.317	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C	915179887	JPDQPPUZMARTLW-HSZRJFAPSA-N	406.489	5.397	30	20	HKED	
N#Cc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	915991635	BSOMQOUAWRPYDN-YFHOEESVSA-N	421.283	6.013	30	20	HKED	
N#CCOc1cccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1	916409432	AWOJEMBFULMWAM-UHFFFAOYSA-N	413.452	5.448	30	20	HKED	
Cc1cccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916628307	QUFQKGIZFKVQQT-LJQANCHMSA-N	410.926	5.807	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916882994	DVWIYYZZAJDXBS-QGZVFWFLSA-N	420.506	5.140	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(SC(F)F)cc1	916903690	QJAZYAHRUDVRNC-QGZVFWFLSA-N	402.466	5.087	30	20	HKED	
COc1cc([C@@H](C)NC(=O)c2ccccc2SCC#N)ccc1OCCC(C)C	918611133	AUIUSMIPKNRTDR-QGZVFWFLSA-N	412.555	5.227	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2C)no1	919864070	JBHAYBGRGFCZSN-UHFFFAOYSA-N	412.449	5.307	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	919904402	KRCXBLMLYBFLEL-KKSFZXQISA-N	423.438	6.244	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(C2SCCS2)cc1	920101843	KSXXHNLTNXQCHP-KRWDZBQOSA-N	406.532	5.160	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C	920140399	FXWMSAFMDLYNJP-HXUWFJFHSA-N	413.502	5.138	30	20	HKED	
Cc1c(O)nc2ccccc2c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	1138160634	UBGMHJCCWPNUKY-KRWDZBQOSA-N	407.473	5.279	30	20	HKED	
Cc1ccccc1CN(Cc1ccc(Cl)cc1C#N)c1ccc2nc(O)[nH]c2c1	1644840593	UHGQBFBNQJSRPU-UHFFFAOYSA-N	402.885	5.309	30	20	HKED	
N#CCC1CCN(c2nnc(CCOc3ccccc3)n2CCCC2CCCC2)CC1	1771538703	RXGDRZYBOCLEAS-UHFFFAOYSA-N	421.589	5.000	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCCn3cccc3)CCC2)cc1	1791250620	XMQKOPSXFSVKDP-HXUWFJFHSA-N	407.558	5.005	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CC3(OC)CCC3)cc2)CCC1	1792050840	OTDMNOKBEBWVNO-UHFFFAOYSA-N	412.574	5.072	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(C)C)CC1	1801817258	POMZBMARHKIECI-HRMJIJJXSA-N	402.623	5.079	30	20	HKED	
C[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)Nc1ccccc1C#N	6000295	QXVMLWSJMBBXDO-ZDUSSCGKSA-N	410.882	5.124	30	20	HKED	
CCC[C@@H](NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1	10399241	HVYSZVAFNXXLNX-RDTXWAMCSA-N	421.488	5.419	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)c(F)c2)c1	11083009	BSNUGTSKQMWILE-UHFFFAOYSA-O	415.460	5.059	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1cccc(C)c1	11268694	OWWGYAGVGUIZHV-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C	32789257	XUWIFSFNIVUEPO-UHFFFAOYSA-N	420.582	5.083	30	20	HKED	
Cc1cccc(O[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	58515516	AQFJEUYCWRLAFN-LJQANCHMSA-N	402.469	5.002	30	20	HKED	
C[C@H](NC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccc(C#N)cc1	61353260	MDSLMKGEFRMNQW-XCHHMKERSA-N	407.517	5.216	30	20	HKED	
N#CCOc1cccc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1	107751035	MKNUNYMRIKHMOJ-QHCPKHFHSA-N	422.937	5.704	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCC(C)C	195664160	PVMXMMCPCXTKJX-HNNXBMFYSA-N	414.914	5.483	30	20	HKED	
C=CCn1c(SC(c2ccc(F)cc2)c2ccc(F)cc2)nnc1-c1cccnc1	302697698	LHQGVHDPNGMIFD-UHFFFAOYSA-N	420.488	5.686	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1	303408069	SYSWHFJRNBLYJK-MWTRTKDXSA-N	411.546	5.147	30	20	HKED	
C=CCCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CCCCC1	303794498	KLOXQMIPIMDPQF-UHFFFAOYSA-N	403.548	5.144	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1	430614295	XWTZJGNXJMYZCP-KRWDZBQOSA-N	411.571	5.049	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CC=C(C(F)(F)F)CC1	433233625	HJFNADOHRIOJPK-UHFFFAOYSA-N	404.257	5.033	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3occc3Br)c2C#N)C1	433517740	MTSSAJKRYQHTQO-SNVBAGLBSA-N	407.333	5.379	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1(C)C	436097523	CENTXSNVVISNOH-YSGRDPCXSA-N	408.929	5.575	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F	437483506	MJESPKWLLPYYGB-HIFRSBDPSA-N	406.379	5.797	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](CC)Cc2ccc(C)cc2)cc1	437836176	HPDFHWOTDVWYRP-XMMPIXPASA-N	419.569	5.294	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1	438678114	ZIRVAJHGMATCMU-UHFFFAOYSA-N	417.509	5.719	30	20	HKED	
Cc1ccc(-n2nc(C)c(CC(=O)N[C@@H](CCC#N)c3ccccc3)c2C)cc1Cl	439667533	KTPVDYILNGNRCR-QHCPKHFHSA-N	420.944	5.155	30	20	HKED	
CN(C(=O)NCC1CCC(C#N)CC1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	442722536	PXYVFVIDAXQHET-CNXQINBVSA-N	413.924	5.540	30	20	HKED	
N#CC1CCC(CNC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)CC1	442726437	CKEIBWPCUYFCCS-UHFFFAOYSA-N	423.479	5.369	30	20	HKED	
Cc1ccc(-c2nnc(S[C@@H](C)c3cccc(C#N)c3)n2Cc2ccco2)cc1	442908127	ZSBGFZKMACKLJR-KRWDZBQOSA-N	400.507	5.620	30	20	HKED	
Cn1ncc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1C(F)(F)F	444742983	KGQZIFGVBFTNMW-GFCCVEGCSA-N	419.291	5.241	30	20	HKED	
C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CCCC1(C)C	444794335	VFVWKKHYALJYNF-FQEVSTJZSA-N	418.006	6.048	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2c[nH]nc2-c2nccs2)c1	446604750	MZNFMKBEYWQKHM-UHFFFAOYSA-N	421.869	5.103	30	20	HKED	
Cc1cnc([C@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C2CC2)s1	460319298	NTPNDXNEBXKILA-HXUWFJFHSA-N	423.925	5.650	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(Cc1ccco1)Cc1ccc(C)s1	460779569	PUJGUZCYPAPGDZ-OXJNMPFZSA-N	412.559	5.121	30	20	HKED	
COc1ccc(-n2c(SCCC(C)(C)C#N)nnc2-c2ccccc2)cc1Cl	463030681	CVQOPGSSXKCYAS-UHFFFAOYSA-N	412.946	5.628	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	468201334	LTBXFUBYUGLJIP-VHSXEESVSA-N	407.285	5.327	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2c1	468480152	KXABUWMCQZQVLS-UHFFFAOYSA-N	410.477	5.415	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)on2)c1	469057734	QGINTAZKZDOYJZ-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	470114762	LSWZSXINUSFPAL-IBGZPJMESA-N	402.416	5.348	30	20	HKED	
CC(C)c1ccc(/C=C/CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	470841727	PKJXFVKJPFFTLT-AATRIKPKSA-N	415.537	5.435	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)c4ccccc43)cc2Cl)cc1	475237627	YCOOFDLTRZIWOU-IBGZPJMESA-N	402.837	5.313	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)c2)c1	482822817	YXZMULABUKQXFZ-QFIPXVFZSA-N	424.422	5.812	30	20	HKED	
C=C(C)Cn1c(SCc2csc(C3CCCCC3)n2)nnc1-c1ccncc1	489456663	AHBUMFRLPRROPJ-UHFFFAOYSA-N	411.600	5.713	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)NC3CCCC3)n2)o1	504493146	OOBWQGLOLBWIRU-GFCCVEGCSA-N	423.460	5.080	30	20	HKED	
N#C[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1cccc(Cl)c1Cl	505329251	BUEDMQSJIZIOEZ-MRXNPFEDSA-N	420.683	5.225	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449433	ONMGZMZGISQTPZ-AWEZNQCLSA-N	406.269	5.502	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](C#N)c2ccccc2F)c1	505953949	KRVGYZLYUSUBCG-HXUWFJFHSA-N	405.816	5.138	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C2CCC(OC(F)F)CC2)cc1	507200481	CTQIKZSDCPCBPO-UHFFFAOYSA-N	414.452	5.068	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc(CSc2ccc(C#N)cc2)n1	508667223	SIHQSBCIBVOCPE-IBGZPJMESA-N	413.930	5.445	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509295410	UKMZXAZUKQJYFN-JKSUJKDBSA-N	407.329	5.672	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)c1nc2ccccc2o1	510631431	QXVSFBATAXMYRI-GOSISDBHSA-N	424.353	6.143	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2o1	510954536	VARGHKSWXMSJOE-LJQANCHMSA-N	402.837	5.550	30	20	HKED	
CCSc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C#N)CC2)cc1	512704979	AIEXYSWGQLOQHO-UHFFFAOYSA-N	402.567	5.387	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	517508972	UUNSDTUEOXWBTK-HJPURHCSSA-N	411.461	5.197	30	20	HKED	
Cc1csc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1C#N	517621973	ZGLZKPMMMVPKOZ-UHFFFAOYSA-N	421.309	5.246	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c1	520316429	NAGHHQQKNWEAIA-UHFFFAOYSA-N	418.537	5.014	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(Cl)c(Cl)c1	521352998	ZVAONHFVIJDLQM-CQSZACIVSA-N	423.097	5.232	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)oc1-c1ccccc1	521599672	MDJGKYWLLGQKBS-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1	521788815	SVUQYXCGYFLCPD-LJQANCHMSA-N	423.582	5.091	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OC(F)(F)F	521809717	GORQJKDAYDKMPJ-CYBMUJFWSA-N	409.433	5.301	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl	523087564	NBASPOGRSUSBKW-UHFFFAOYSA-N	413.905	5.221	30	20	HKED	
N#Cc1ccc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)nc1	523311678	SXSFGUMPACRNCT-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	523533021	MCRWSRDRTZGQCM-UHFFFAOYSA-N	419.535	5.107	30	20	HKED	
CCc1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1	523617845	DVTAKQBCNGRTPO-HNNXBMFYSA-N	406.511	5.561	30	20	HKED	
CCc1nc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1	523622961	JMIIQIOVNCRVMR-AWEZNQCLSA-N	424.501	5.178	30	20	HKED	
C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccc(F)cc2)O1	525093168	WUVIEYVHVVXPRG-OSPHWJPCSA-N	416.452	5.092	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(F)c1	531504681	SGRUCPOPYGJNRH-UHFFFAOYSA-N	420.202	5.583	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccc(Cl)s1	532902030	NJOYKYCIDLBFNP-CQSZACIVSA-N	407.992	5.256	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1Br	534582932	LTTGNXLUCSSDCH-INIZCTEOSA-N	422.307	5.243	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1	539224086	XKCYBDZKGUCSRM-MAUKXSAKSA-N	401.963	5.414	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(Br)c(F)c1	540417340	LFRZSGSIQUNPIR-YOEHRIQHSA-N	420.257	5.031	30	20	HKED	
C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2cc(C(F)(F)F)ccc2S1	540735054	MMJDDIKQSSBDGT-CQSZACIVSA-N	416.468	5.792	30	20	HKED	
C[C@H](NC(=O)N(Cc1cccs1)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1	543017311	OLGXECINBBAMFP-KRWDZBQOSA-N	401.535	5.722	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	543481512	QDILQBGNDSLNLR-QFIPXVFZSA-N	407.876	5.306	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3cnc(-c4ccc(Cl)cc4)s3)CC2)cc1	551537041	ZKHQLADRNQGLME-UHFFFAOYSA-N	408.958	5.094	30	20	HKED	
N#Cc1c(NC(=O)c2csc(-c3ccoc3)n2)sc2c1-c1ccccc1CC2	553002898	PDARWEZQTHMJGZ-UHFFFAOYSA-N	403.488	5.354	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1	554542251	SWMGLXRFURATSO-UHFFFAOYSA-N	407.926	5.161	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H]3CCCCC[C@@H]3c3ccc(Cl)cc3)o2)c1	556519748	KWZKUEIIHHFPRO-NHCUHLMSSA-N	406.917	5.468	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	561211323	UFBQFEAXIYFFBT-UHFFFAOYSA-N	415.411	5.075	30	20	HKED	
CC(C)n1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1	570853084	KRAOEAJWENOOBP-UHFFFAOYSA-N	409.877	5.212	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1cc(F)cc(F)c1	572419588	XOOPAIOOFJHQPG-UHFFFAOYSA-N	416.371	5.007	30	20	HKED	
Cc1ccc(Nc2ccccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1	572669360	VIANDQQFZJRGON-UHFFFAOYSA-N	411.505	5.294	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)ccn1	583666383	VVWASTKQVQVPKB-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CCCN(C)[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(Cl)cc1	586855246	YTJGXBJWWIFCRB-SFHVURJKSA-N	424.759	5.331	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1nnc(-c2c(Cl)cccc2Cl)o1	588167718	BJXLKWRICACGRO-UHFFFAOYSA-N	404.297	5.240	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	589017666	WCVOXNUJORXEOX-KRWDZBQOSA-N	414.474	5.079	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)cc2)ccn1	589543504	KPEWUEYEKOJGFQ-UHFFFAOYSA-N	423.394	5.435	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2cc(Cl)c(OCC)c(OC)c2)c1	589739442	OWBSFNDVNLJDKO-UHFFFAOYSA-N	404.894	5.024	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1	589830538	MHKVNQGZDQPCNC-HNNXBMFYSA-N	421.934	6.077	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(C#N)cc1	603501126	QLOQLYULYHHPNZ-UHFFFAOYSA-N	407.477	5.075	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1	608882146	GMSDJAAFOWEOAF-UHFFFAOYSA-N	407.857	5.462	30	20	HKED	
CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)n1	609019018	VTSULBWMWKIIGN-UHFFFAOYSA-N	406.511	5.098	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1c(F)cccc1F	609079315	VRRRELVCPMUSBY-UHFFFAOYSA-N	421.447	5.088	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1[nH]c2ccccc2c1Br	609382641	LBUQCUBVJMUOAH-GFCCVEGCSA-N	414.328	5.434	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610015285	DDJUXGWKKWMSET-AZUAARDMSA-N	412.493	5.464	30	20	HKED	
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	610122565	NVKRXKXVQXRNSQ-LJQANCHMSA-N	411.505	5.749	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C	610321340	QVYRQWPXEIOJII-QHCPKHFHSA-N	412.493	5.731	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@H](C)c1cccc(C#N)c1	610406738	KLILQHXSOVETPB-OAHLLOKOSA-N	400.320	5.002	30	20	HKED	
CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	611338499	GUAYKBDEFUDFHM-UHFFFAOYSA-N	401.466	5.313	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c(Cl)c1	611507358	JULONLDKKZXPOI-OAHLLOKOSA-N	401.215	5.159	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612804789	WJYDJHYOCWXNCB-PJXYFTJBSA-N	418.328	5.016	30	20	HKED	
CCCCN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H](C)c1ccc(C)o1	615073980	SSVYAWABZIQJPQ-PELRDEGISA-N	424.545	5.118	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1	619318286	AWOXXXCSGUZSAN-SFHVURJKSA-N	403.482	5.108	30	20	HKED	
CC(C)COc1ncc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1Cl	679980688	UVWXZOHUWYZALK-CYBMUJFWSA-N	403.866	5.009	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	726460430	BLGWBKAKHGSMGO-HSZRJFAPSA-N	401.535	5.938	30	20	HKED	
CCOc1ccc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1OC	726594113	DTKMGRWFXDILFR-UHFFFAOYSA-N	422.268	5.001	30	20	HKED	
CCOc1cccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1	726626690	JPOJLYJSTKJQGO-MFOYZWKCSA-N	400.912	5.016	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1	727285287	VFBBGOPADXZUDM-UHFFFAOYSA-N	403.898	5.564	30	20	HKED	
Cc1cccc(C)c1NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728175457	VAASFRPTQOAVGJ-UHFFFAOYSA-N	405.498	5.702	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2nc(-c3ccsc3)no2)c1	728181739	ZXFJZAHVPIBDPD-UHFFFAOYSA-N	419.531	5.007	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2/CSc3ccc(Br)cc3C2=O)cc1	728697628	UJGMNTKBIPMAPK-QENILXLESA-N	400.297	5.112	30	20	HKED	
CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	729035549	GRILADWJFLONFY-HSZRJFAPSA-N	401.485	5.924	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	730193711	SCVKRBOAUGEUME-UHFFFAOYSA-N	403.438	5.257	30	20	HKED	
Cc1nc(-c2ccc(OC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)no1	732494337	MENNQCOMKGTGMR-UHFFFAOYSA-N	411.417	5.123	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)c1cc2ccccc2n1CC#N	733069667	CTMSKWDNOFVYSY-MRXNPFEDSA-N	401.491	5.515	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc2ccccc2s1	734115557	VJTKDCOOTSGXSH-CQSZACIVSA-N	417.465	5.590	30	20	HKED	
C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)N[C@H](C)c1ccc(Cl)cc1	735317928	HKFAEOOFVRIXDY-ZIAGYGMSSA-N	423.365	5.395	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OCC2CC2)cc1	740434938	KAQMNKDNPBKSHB-DEOSSOPVSA-N	411.505	5.453	30	20	HKED	
COc1ccc2oc(C(=O)/C=C/c3cnc4ccc(Br)cn34)c(C)c2c1	740765679	NJICKLXEDPTNGG-GQCTYLIASA-N	411.255	5.056	30	20	HKED	
Cc1nc(Cl)cc(NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)n1	741764143	VMXWESIFWRVRFR-UHFFFAOYSA-N	403.317	5.156	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCc1cc(C#N)ccc1F	742381984	VYLQTBQIWHDHLQ-UHFFFAOYSA-N	422.813	5.154	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	742987680	FQSSFHFFOMRIBP-UHFFFAOYSA-N	423.925	6.130	30	20	HKED	
Cc1cccc2oc(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)nc12	743096212	OJSMWNKCAAVHEI-OAQYLSRUSA-N	410.477	5.156	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2ccccc2C(F)(F)F)cc1	744030180	ZYHMRJUDGUNFSC-KXBFYZLASA-N	416.443	5.499	30	20	HKED	
CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(-c2ccccc2)cc1	744412022	LZUWEVRIIJFVLS-JOCHJYFZSA-N	404.473	5.027	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(Oc2ccccc2)cc1	745693877	CIFFSNISOASFLL-UHFFFAOYSA-N	415.562	6.206	30	20	HKED	
CSc1ccc2c(c1)CC/C(=C/c1cc3ccccc3nc1N1CCOCC1)C2=O	748147490	OUVZARGXCOYKPY-CYVLTUHYSA-N	416.546	5.006	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cc(Br)c1O	749452761	NMSWXSIKMONDKD-UTCJRWHESA-N	404.235	5.070	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccnc1Br)c1ccc(C(F)(F)F)cc1	749942715	CUVSKJVEUCXYMY-HNNXBMFYSA-N	413.237	5.300	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCc2cc(SC(F)F)ccc21	753144787	RQIIVUNEUSHFTC-GXDHUFHOSA-N	400.475	5.732	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	754470813	OUBSEEQDXHZQHS-UHFFFAOYSA-N	401.532	5.624	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1	755608981	CFHYNJSPCKWZFL-SUMWQHHRSA-N	409.442	5.146	30	20	HKED	
C=CCC(CC=C)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	759003003	CBRSTTILBSOHQY-UHFFFAOYSA-N	404.919	5.293	30	20	HKED	
CC(C)N(Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1)C[C@H]1CCCCO1	761223913	VBUZWMRXLFJEHA-QFQXNSOFSA-N	421.585	5.369	30	20	HKED	
N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c(Cl)c([N+](=O)[O-])c1	764303040	VCFLXWKRZHBIAQ-QWRGUYRKSA-N	410.644	5.169	30	20	HKED	
Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1	772971787	ORURNPVPHSEBGU-SFHVURJKSA-N	420.921	5.761	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	772983551	KVMLYPVFUILOAF-CTNGQTDRSA-N	421.541	5.797	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cccc(/C=C/C(=O)c3ccc(C#N)cc3F)c2)c(F)c1	781107732	JYNNMLOIPLEQKR-NAKBGQTNSA-N	424.406	5.500	30	20	HKED	
Cc1c(Cl)cccc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	786308985	DVLJPNWACIQYTR-SFHVURJKSA-N	404.853	5.402	30	20	HKED	
C=CC[C@H](NC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1)c1ccncc1	786768229	NLSUZTGGRWGYLP-KUHUBIRLSA-N	408.329	5.115	30	20	HKED	
CCc1sc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1C	787047036	VNKJHIPFGVNKKT-RISCZKNCSA-N	409.338	5.126	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cccc(C(F)F)c1)c1ccc(Cl)cc1Cl	787052367	YUWWOZVMPPLDHB-BONVTDFDSA-N	411.235	5.131	30	20	HKED	
FC(F)Sc1ccc2c(c1)CCCC2=NNc1nnc(-c2ccccn2)s1	788031101	VKPXNDPKXPYAAG-UHFFFAOYSA-N	403.483	5.067	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc(-c2c(F)cccc2F)cs1	793124823	KTKNFZBNRUOKNK-CABCVRRESA-N	408.429	5.025	30	20	HKED	
Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc2ccc(C#N)cc12	794230989	KTHJSNKYTPDZSM-KBPBESRZSA-N	423.513	5.086	30	20	HKED	
C#C[C@@H](NC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1F	805777032	YYNCLJSJFQSYAI-OLZOCXBDSA-N	419.831	5.079	30	20	HKED	
FC(F)(F)c1cc(-c2noc(C(F)(F)c3nccs3)n2)cc(C(F)(F)F)c1	809293454	NQMREEIABIOCJS-UHFFFAOYSA-N	415.265	5.371	30	20	HKED	
N#CCCC[C@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccccc1	817318459	ANOYPABXCGTTNC-IBGZPJMESA-N	409.486	5.026	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915352461	IOPSFQWJQSKNBZ-MBSDFSHPSA-N	409.489	6.313	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc1	916050827	JJGAURJRYMJNBC-DEOSSOPVSA-N	405.457	5.782	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916884747	ZXSFJRUUXLKQAD-GOSISDBHSA-N	418.465	5.141	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3cccs3)oc2C)cc1	916915029	BAINWNBLCRLFCX-QGZVFWFLSA-N	407.495	5.015	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F	916982194	ZWGMFYVKRDRNKQ-QGZVFWFLSA-N	423.435	5.115	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1	920101506	BTWHVLYSGVHMHH-MRXNPFEDSA-N	402.837	5.595	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	920144079	XILZBNYTCCYENL-OXJNMPFZSA-N	420.534	5.587	30	20	HKED	
Cc1cc(Cl)ccc1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1	1785948381	AGVAKFLEQSLKTQ-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(O)c2)c(C)c1	10168663	RYRBHUFISQFVQQ-UHFFFAOYSA-O	419.570	5.273	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccccc2CC)c1	10174452	YGAHLLHFOAOJLI-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
CCCCc1ccc([C@H](NCC(=O)Nc2ccc(CC#N)cc2)c2cccs2)cc1	15360511	XDNWRCMAJICFLI-VWLOTQADSA-N	417.578	5.474	30	20	HKED	
C=CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)Cc1ccc(Cl)s1	26228565	GZSGYRYCCRYMAL-UHFFFAOYSA-N	417.943	5.148	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1	46011792	RJADYBDHCYPKPO-UHFFFAOYSA-N	413.474	5.261	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccn2)C2CC2)cc1Cl	47565585	HXDOUDNTIKUDBL-JOCHJYFZSA-N	416.912	5.587	30	20	HKED	
CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C	51677733	GLOYYLXTXHRDCS-CQSZACIVSA-N	417.412	5.072	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1C1CC1	53423872	NSTJUNGEQDUITD-INIZCTEOSA-N	404.539	5.447	30	20	HKED	
N#Cc1ccccc1NC(=O)CCN1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	110454133	SRZRWRHFMOMVPN-FQEVSTJZSA-N	401.432	5.133	30	20	HKED	
N#CC(CCN1CCC(C(=O)Nc2ccccc2)CC1)(c1ccccc1)c1ccccc1	216767878	VBQQCABXDYYPMC-UHFFFAOYSA-N	423.560	5.237	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1	237023464	SEWXXDAGXUBNTC-DEOSSOPVSA-N	411.505	5.108	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)cs1	431782175	NQJOZZMDRPXOQX-VGSWGCGISA-N	418.566	5.914	30	20	HKED	
FC(F)(F)C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	436404049	CJZOLSAZLFRXEA-CYBMUJFWSA-N	419.291	5.248	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccc(Cl)cc2s1	436458237	ZGOAYZQFTWEXTF-UHFFFAOYSA-N	420.881	5.285	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl	438070778	GDUYFZYIIPFXLR-ABAIWWIYSA-N	422.337	5.643	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2ccccc2CN(C)Cc2ccco2)c1	438113960	CYNIUOGHQLKVHF-UHFFFAOYSA-N	419.525	5.188	30	20	HKED	
CC(C)c1nc(CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cs1	438657194	UHKOQOWEEZBJON-UHFFFAOYSA-N	424.501	5.434	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2ccccn2)c1	439397725	OABBLHOHSRPWMO-KRWDZBQOSA-N	402.523	5.322	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CC(c2ccc(F)c(Cl)c2)C1	439501308	OAMWMMBTTAMSCD-JEYLPNPQSA-N	417.937	5.799	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1N1CCC(OC2CCCCC2)CC1	440631810	AXPIHXSNFUHVCA-UHFFFAOYSA-N	414.347	5.187	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3C)n2)cc1	442669008	AREILSFSMIZPKO-MRXNPFEDSA-N	411.324	5.680	30	20	HKED	
COc1ccc(N(C(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C2CC2)cc1	444136934	GGGLURJBVZXQRG-GOSISDBHSA-N	401.510	5.399	30	20	HKED	
Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	444390149	SQQLDSNOTDOSED-DLBZAZTESA-N	419.554	5.315	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)CCCC1(C)C	444840474	SVVWDOOYFQWVIT-QFIPXVFZSA-N	409.530	5.268	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Oc3ccccc3)o2)c1C#N	445565381	KEDNCOHFQXEYBD-UHFFFAOYSA-N	416.462	5.103	30	20	HKED	
COc1cc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	445824425	FDLYIPHIJXBFMZ-FQEVSTJZSA-N	420.896	5.573	30	20	HKED	
Cc1sc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1-c1ccc(F)cc1	446190531	DGKYLVKBHVCATL-UHFFFAOYSA-N	422.481	5.194	30	20	HKED	
CCc1noc(C)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	464297396	QCQSJZGJCNZWPB-UHFFFAOYSA-N	415.371	5.481	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1	465429094	GYRSMZBQTXEKGD-CWFSZBLJSA-N	401.432	5.248	30	20	HKED	
C[C@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(C#N)cc1	465651422	FCGAUJTUZQTGNA-HNNXBMFYSA-N	401.432	5.059	30	20	HKED	
N#Cc1cc(CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)ccc1F	468624493	APKYLBFROIDBOW-UHFFFAOYSA-N	411.458	5.506	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3cc(F)ccc3-c3ccoc3)n2)c(Cl)c1	471103667	IVVUHEPOECMVKF-UHFFFAOYSA-N	406.804	5.049	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](c1ccccc1)C1CCCC1	476370344	QOQZMYXUAZOYPS-KOSHJBKYSA-N	407.583	5.540	30	20	HKED	
Cc1nn(CC(F)(F)F)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	477886378	ZIJOZCHHQNQSFB-CYBMUJFWSA-N	424.835	5.021	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1F	478732681	XVACZPHMPCPRJA-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
C[C@@H](NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1	480251446	LCXSPMQIHQKLGF-QRWLVFNGSA-N	401.432	5.575	30	20	HKED	
CC[C@H](NCc1cccc(OCCCC#N)c1)c1cc(F)cc(Br)c1	485704837	ZLEALMSOLSZCNH-FQEVSTJZSA-N	405.311	5.512	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1Br	485887848	IJPCSICYUYGNOJ-UHFFFAOYSA-N	401.157	5.039	30	20	HKED	
Cc1cc2sc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c(C)c2cc1C	486119929	VZEYQHDOECOGPQ-UHFFFAOYSA-N	417.578	5.115	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	486657675	YZQWAMJAEZQAOB-CQSZACIVSA-N	407.392	5.123	30	20	HKED	
N#CCCC[C@@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccccc1	487154774	JQFKJEUZMDSHNW-FYYLOGMGSA-N	404.558	5.045	30	20	HKED	
Cc1c(C(=O)N[C@H](CCCC#N)c2ccccc2)sc2nc(C(F)(F)F)ccc12	487519390	ZLLRGGWLRBOBSZ-MRXNPFEDSA-N	417.456	5.789	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1cccc(Cl)c1	489642036	PMHDBVFLJPCBMH-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	490723370	USOWJYGVRKXXBH-ZDUSSCGKSA-N	417.899	5.460	30	20	HKED	
CCn1ncc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc21	500101920	JIZOXMCZIYDOFG-UHFFFAOYSA-N	412.518	5.472	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1	501440589	CRYORDWLPVPIMS-UHFFFAOYSA-N	410.395	5.603	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	502640550	CGHILPFKBXMEKX-UHFFFAOYSA-N	410.315	5.204	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1	505217559	DFBQXWNWKTVDJO-UHFFFAOYSA-N	418.516	5.009	30	20	HKED	
CCN(CC)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1	510887388	JSPPOYCNPGVDDQ-UHFFFAOYSA-N	420.557	5.245	30	20	HKED	
COc1ccc([C@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccc(C)cc2)cc1	512898639	GZYGBHSSXWRIFD-RUZDIDTESA-N	416.546	5.014	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccc(C(F)(F)F)cn1	513733245	OXZCFBHPPBOVQF-FQEVSTJZSA-N	417.390	5.806	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1	515852421	CEFPFJZFVGIEJG-SFHVURJKSA-N	402.469	5.603	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCCOc3cccc(F)c3)c2)cc1	517100592	LBVTUKYSCGHODR-UHFFFAOYSA-N	418.468	5.268	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCC2CC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	517793607	VVHNLMQHMCHWDO-IBGZPJMESA-N	408.910	5.742	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(C2CC2)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1	519251498	LVWPGRZJIFRHKF-LBPRGKRZSA-N	420.346	5.941	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1csc(-c2ccccc2)n1	520186590	QMAARASMFDBRIH-AWEZNQCLSA-N	415.565	5.005	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3cccnc3Oc3ccccc3)no2)cc1	520302929	UWVWCFZNPKKAOU-UHFFFAOYSA-N	400.463	5.229	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccc2)ccc1Cl	521075570	BGUVTUMBNQXNCT-MRXNPFEDSA-N	406.938	6.654	30	20	HKED	
N#Cc1cccc(/C=C\c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1	521904248	CDTYQSMEZIFMDE-QXMHVHEDSA-N	403.445	5.177	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1C#N	522311870	PFXWNKNMXUIHNC-UHFFFAOYSA-N	401.491	5.194	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	522958661	BGJSRGADIRGJOH-UHFFFAOYSA-N	414.484	5.027	30	20	HKED	
CN1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c2ccc(F)cc21	523143263	VYRNDSOUYWLRIF-UHFFFAOYSA-N	419.431	5.115	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1c(C)nn(CC)c1C)c1ccc(C(F)(F)F)cc1	533388872	ZWDPNDURUXAAIR-IBGZPJMESA-N	408.468	5.045	30	20	HKED	
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(C[C@@H](C)C#N)C2CC2)cs1	533758831	MXESVTHVZPLSIC-LBPRGKRZSA-N	423.369	5.259	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1cccnc1	538728305	LCGPOKKYHVXKSD-CLJLJLNGSA-N	419.532	5.206	30	20	HKED	
C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1-c1ccc(Cl)cc1	540413392	DWOITWBBPOVKTR-MRXNPFEDSA-N	414.896	5.779	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	542030750	PCPQSOMAODHOJD-UHFFFAOYSA-N	420.325	5.166	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1	543921258	HHTZSIJLTBAZTI-ZWKOTPCHSA-N	419.550	5.009	30	20	HKED	
C=CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1	548841113	YDLQTTWLHSGYOY-QGZVFWFLSA-N	421.595	5.110	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1	560707497	VMCAGEAUDRWXLA-UHFFFAOYSA-N	422.941	5.014	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(Br)ccc1OC(F)F	561144655	LJFZPDICTNNUHV-KRWDZBQOSA-N	407.258	5.089	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2cc(C(F)(F)F)ccc2Br)cc1	581849482	TVKGASCHTRSWGC-INIZCTEOSA-N	411.221	5.025	30	20	HKED	
C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@H](OC1CCOCC1)c1ccccc1	582638675	CWKCLEALIFBCBQ-VFNWGFHPSA-N	404.432	5.314	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C1CC1	588235432	DPITYUADKGPERK-UHFFFAOYSA-N	416.485	5.119	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](c3ccncc3)C2)c1	590552422	LQGFPUJTBCWDLY-SFHVURJKSA-N	403.869	5.029	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)s2)c(C)c1	592974460	XVAPAEVRHOCIHE-HNNXBMFYSA-N	407.495	5.666	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	598192175	BZTBBSJMLOFXTR-UWVGGRQHSA-N	420.300	5.191	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1	603646713	MLNDJIZQDVCEMU-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
COc1ccccc1OCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603758791	HZRXOKOZWHZTOH-HXUWFJFHSA-N	420.896	5.412	30	20	HKED	
N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(Cl)c1	603908446	RGQCZLVSSQBVBS-QGZVFWFLSA-N	409.700	5.261	30	20	HKED	
CC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F	606706098	BTFJENGWBNPMRS-BHDSKKPTSA-N	418.328	5.188	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C	608919774	KWFWWKGHNOFADR-LJQANCHMSA-N	403.448	5.506	30	20	HKED	
N#CCn1c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc2ccccc21	609202317	UZWWCNIZXYTDSH-UHFFFAOYSA-N	424.432	5.142	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	609206892	WQPUURYMKMEZCS-QGZVFWFLSA-N	409.839	5.802	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2n1CC#N	609215789	NXBKENWESZDVII-UHFFFAOYSA-N	422.463	5.331	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccccc1	609437581	HMVGMSYBBWVQGO-RXVVDRJESA-N	421.566	5.163	30	20	HKED	
CC(C)CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(C#N)cc1	609499675	XAMMQOWVRGUCHW-UHFFFAOYSA-N	409.489	5.719	30	20	HKED	
CCn1cnnc1-c1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609499825	WTZHRXCDIBXGKY-UHFFFAOYSA-N	423.476	5.076	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1	609722984	SIFXOKOKAKNAMM-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
CC(C)C[C@H](C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	609792988	CIIUCXABTBXBHB-MRXNPFEDSA-N	419.312	5.305	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)s1	610177511	RCRULEDKRMOVLH-KRWDZBQOSA-N	419.550	5.706	30	20	HKED	
Cc1cccc2c(=NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(C#N)c[nH]c12	610246261	YFSQVYZHBRFGDU-CHWSQXEVSA-N	401.354	5.158	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1	610303852	SCIXQFPQCGAJBF-UHFFFAOYSA-N	412.880	5.376	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@@H](Cc2ccncc2)C1)c1ccc(C(F)(F)F)cc1	679874212	ZXDGEMXNOVCZCB-GHTZIAJQSA-N	417.475	5.382	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	682053029	NSRSQFJKKRPFBQ-SNVBAGLBSA-N	410.280	5.339	30	20	HKED	
Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1cc2cc(Br)ccc2o1	728440033	RVEIGDDIGGBDFZ-ARJAWSKDSA-N	400.059	5.132	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3C(F)(F)F)n2)cc1	729892923	QWQIVWWZOZQOQZ-MRXNPFEDSA-N	416.424	5.256	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1csc2ccccc12	730060689	DONMHTPLBYJXPK-JTSKRJEESA-N	411.530	6.439	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)OCc1nnc(-c2cccc(Cl)c2)o1	730291332	FNVGMZJVLYLKRG-UHFFFAOYSA-N	415.836	5.286	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3sccc3SC(F)F)c2)c1	730478381	NUJAIIRUJCMJNR-UHFFFAOYSA-N	416.474	5.766	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2sccc2s1	731073658	IOSSXDODMDLDJL-GFCCVEGCSA-N	416.549	5.153	30	20	HKED	
C[C@@H]1CCC[C@H](OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	733052112	GCDFKAOSKRKBMJ-INWMFGNUSA-N	423.365	5.888	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	733641111	YPCSVJVPRQWRAR-UHFFFAOYSA-N	424.888	5.151	30	20	HKED	
Cc1ccc(-c2ncc(C=Nn3c(S)nnc3-c3cccc(Cl)c3)s2)cc1	734295573	ZOCHICDDNNQSNU-UHFFFAOYSA-N	411.943	5.201	30	20	HKED	
CCc1nn(C)c(Cl)c1C=NNc1nc(C)nc2sc(-c3ccccc3)cc12	734745278	QMZMUYAVOQCZPM-UHFFFAOYSA-N	410.934	5.062	30	20	HKED	
C=CCCCN(C)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S	736585560	TXCDHVKZRNDBAW-UHFFFAOYSA-N	402.561	5.588	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1	742536121	FTMXGTFNNKCYIC-HJWRWDBZSA-N	404.495	5.151	30	20	HKED	
C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1Sc1ccccc1	743489881	HERMRFUPZRPGOC-ROUUACIJSA-N	401.535	5.387	30	20	HKED	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H](CCC#N)c2ccccc2)cc1	749222488	SRRKSCDMUMRVDK-XMMPIXPASA-N	416.525	5.102	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](c3ccccc3)[C@H]2C)c1=S	751603221	AGZVPGFOJBHPMR-UYAOXDASSA-N	420.582	5.111	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1C#N	752305038	ZRVRWIPAQMPEFI-LBPRGKRZSA-N	420.391	5.028	30	20	HKED	
Cn1c([C@H](C#N)C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc21	754523029	BZFNKOVUOGXUPA-CQSZACIVSA-N	414.292	5.110	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NOCc1ccc(C(F)(F)F)cc1	756491034	XBAABDKWNKIQPT-ZDUSSCGKSA-N	409.433	5.353	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	760183291	KVOZTXOOVDJZQS-FOIQADDNSA-N	418.880	5.050	30	20	HKED	
Fc1ccc(C2OCCO2)c(Cl)c1C=NNc1nc(-c2ccccc2)cs1	761776890	FQFIFUWRPJAJEG-UHFFFAOYSA-N	403.866	5.094	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(-c2cscn2)c1	764751011	WPOVIGOWSWAZHI-UHFFFAOYSA-N	419.293	5.138	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)n1	764782714	IHXBJIFGWHJAKW-IFXJQAMLSA-N	419.953	5.462	30	20	HKED	
C#CC[C@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	767250050	HTMLOMKEVGBFLK-JTHBVZDNSA-N	403.913	5.083	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(C(F)(F)F)c1	768178221	FTTYGOLCCGJQHO-ZDUSSCGKSA-N	404.335	5.312	30	20	HKED	
Cn1cc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C(F)F)n1	769884156	DABPQPICAARPCC-UHFFFAOYSA-N	402.832	5.074	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2oc3ccc(OC)cc3c2C)ccc1OC	772984299	CVOKEIKQEOIJFB-WMZOPIPTSA-N	408.498	5.290	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc3ccccc3c2OC(F)F)c1	772986878	ZZQMIXCOUCQJJA-QFBILLFUSA-N	410.464	5.973	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCc1ccc(CC#N)cc1	776112111	DGUUDPGECBQATN-UHFFFAOYSA-N	424.909	5.385	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2nccs2)[n+]2ccc(C(C)(C)C)cc2)c1	778083419	IOTXRFMQILZDJM-UHFFFAOYSA-O	420.583	5.033	30	20	HKED	
C[C@@H](N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)c(F)c1	779083228	VWZMEHNLEVSSPK-IVZQSRNASA-N	409.505	5.773	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1cccc(NC(=O)c2ccccc2Cl)c1	779991825	GGVDNCRCJWBIGK-MRXNPFEDSA-N	405.885	5.495	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F	780677491	WEHWAIIAWMJELR-UWWQBHOKSA-N	417.431	5.454	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Nc1ccccc1O[C@@H](C)C#N	780681676	OBOHWPRJBYAMGX-DOTOQJQBSA-N	420.538	5.634	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1	780780746	CQEXQVLHOMSTIW-GOSISDBHSA-N	412.468	5.581	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1F	783563873	OLFSYJXFBGUDLH-UHFFFAOYSA-N	421.453	5.279	30	20	HKED	
COc1cc(C(=O)/C=C\c2cnc(-c3ccc(Cl)cc3)s2)cc(OC)c1OC	789128173	RDIZJJVFVSXEFQ-HJWRWDBZSA-N	415.898	5.385	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)c1=S	789475892	BEYSBTOJLVDRTL-VQIMIIECSA-N	423.413	5.049	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)s1	797571091	NMLAVQNHQDPJPF-DZPLQNHZSA-N	421.404	5.351	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/Sc1cc(F)ccc1F	797943529	SDSUQZXBFYTDLL-SXSDINLZSA-N	414.477	5.043	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(=Cc2cccc(F)c2)CC1	800777799	RUIIBEJAIHCHOF-UHFFFAOYSA-N	409.896	5.002	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)Nc3ccccc3-n3cnc(C#N)n3)sc2c1	813261123	BNWZIEQXYOKBCC-UHFFFAOYSA-N	421.913	5.383	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)c1	815593842	ZCBKDYXIZQUETF-RDGATRHJSA-N	400.522	5.537	30	20	HKED	
CCCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	915870623	TZPQEWIHCXQVGH-UHFFFAOYSA-N	424.438	6.396	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2ccc(N3CCCCC3)s2)cc1	916546068	DGFJFMHOGUQKBJ-UHFFFAOYSA-N	417.991	5.158	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(Cl)c1	916927468	KPMGFMLLOJSVJT-JTQLQIEISA-N	402.064	5.261	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C\c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)oc12	920063837	HDKPKQSHFWRWON-XFXZXTDPSA-N	417.421	5.036	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C1CC1	920086807	LCZKGSQUAFKPCX-YWZLYKJASA-N	416.912	5.103	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141937	NVAMVDRGBDATIO-FQEVSTJZSA-N	401.491	5.026	30	20	HKED	
N#C[C@H](COC(=O)c1ccc(-c2nc3ccccc3s2)o1)Cc1ccc(F)cc1	920877358	PRZIYQYTZIWHEI-OAHLLOKOSA-N	406.438	5.235	30	20	HKED	
CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1ccccc1	1787717584	XDGZPUBEHHSOQQ-NTKDMRAZSA-N	417.553	5.254	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1	25089774	NIJPCRRGTUILPQ-UHFFFAOYSA-N	415.493	5.069	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccco1	28503202	PEBYQXPLMYZJTP-OAQYLSRUSA-N	401.491	5.440	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(F)F	46443279	NKOYQZNZJJGWQA-HNNXBMFYSA-N	414.433	5.219	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2c1	47974627	XGEKCYOVSNSRPG-UHFFFAOYSA-N	408.461	5.471	30	20	HKED	
COc1cccc(-c2nc(CNc3ccccc3Oc3ncccc3C#N)cs2)c1	55844338	CPENMBZFZWHEKC-UHFFFAOYSA-N	414.490	5.490	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	61068624	LKKJMJYIYRWXDC-AWEZNQCLSA-N	415.971	6.016	30	20	HKED	
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	65534239	IOFWZBIHHCVEIS-ZDUSSCGKSA-N	420.529	5.160	30	20	HKED	
O/C(=N\c1nc(-c2ccccc2Cl)n[nH]1)C1(c2cccc(C(F)(F)F)c2)CC1	97576492	ITOJPLUPXYSONA-UHFFFAOYSA-N	406.795	5.464	30	20	HKED	
C=CCn1c(Sc2nc(-c3ccccc3)c3ccccc3n2)nnc1-c1ccncc1	301090783	MXADLIVWXPMEAB-UHFFFAOYSA-N	422.517	5.288	30	20	HKED	
N#Cc1cc(N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)ccc1[N+](=O)[O-]	302680323	OQDFZSAMQQZYKA-IBGZPJMESA-N	423.270	5.020	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccc(Cl)c(C#N)c1	430113175	IIUPAZDBDALCKA-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430597710	MPKDHUDURSZXGG-LBPRGKRZSA-N	417.506	5.641	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H](c4ccccc4)C3)c2)c1	432918437	SCTDUAPJDRBVNQ-JOCHJYFZSA-N	424.504	5.222	30	20	HKED	
C=CCC(C)(C)CNC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	432946479	DVXSMFMTEJVKNC-UHFFFAOYSA-N	419.525	5.429	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H](c2cccc(C(F)(F)F)c2)O1	433288684	ZXDYPDDCMGJPKT-XIKOKIGWSA-N	423.822	5.224	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cc(F)ccc1Br	433753797	NNHLUHSXJFSSGE-GFCCVEGCSA-N	407.308	5.021	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NCc1cn(CCC#N)nc1-c1ccncc1	435132598	YJOICYHLDMQPFX-UHFFFAOYSA-N	423.520	5.358	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1F	437477314	GMWNUKYHJBNVKL-UHFFFAOYSA-N	402.759	5.674	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1	438049484	BBECXIRZFUOLTI-KDOFPFPSSA-N	403.935	5.243	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](CCCc3ccccc3)c3ccccc3)o2)c1	438768906	VPBAYJMNHOHGAY-DEOSSOPVSA-N	408.505	5.462	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)C[C@H]2OCCc3ccccc32)c1	460333439	VFYCNFUFCJUGEN-XMMPIXPASA-N	416.908	5.449	30	20	HKED	
C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC2(CCOCC2)[C@@H]1C	460787627	DJKYWYCXJDJZQP-IBGZPJMESA-N	402.542	5.070	30	20	HKED	
N#Cc1cc(F)ccc1N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1	462846766	WXHZVEDHTBVQPQ-UHFFFAOYSA-N	404.420	5.043	30	20	HKED	
CC[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OC)cc1	463460639	IVAVZRGJPQCRIL-XMMPIXPASA-N	414.505	5.473	30	20	HKED	
CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	464172549	YNPSAFPKCXXVJS-NRFANRHFSA-N	418.324	5.304	30	20	HKED	
Cc1noc(C)c1CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	464285001	UXPJTAAIKBRFAS-UHFFFAOYSA-N	415.371	5.155	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1sc3ccccc3c1Br)CCCC2	464290279	JMDFPKYCHMUKOU-UHFFFAOYSA-N	412.312	5.062	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1cc(C(F)(F)F)ccn1	464419476	MVISNPJSVYFSOC-VIFPVBQESA-N	413.833	5.429	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)NCc2cc(C#N)ccc2F)cc1	466199853	NYUFKFLUAHAPPX-UHFFFAOYSA-N	405.429	5.210	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ncccc1OCCCC#N	466598629	RYDNGZFHCQNKIR-CYBMUJFWSA-N	407.301	5.296	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)o1	467502802	MIQMJYFSJBSQTR-UHFFFAOYSA-N	410.433	5.215	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c2ccccc21	469502686	BJVTVTNRZXPKQA-IBGZPJMESA-N	403.551	5.199	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1	471731828	ORMZNZZURKMHSY-UHFFFAOYSA-N	422.834	5.425	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(-c2cccnc2)cc1	474760681	XBDXETJCOFQLMO-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	476802563	HZPCWMZDVOKODG-IBGZPJMESA-N	414.958	5.634	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=O)Nc1ccc(C(C)(C)C#N)cc1	477514599	YMCNTHARFUPFLN-UHFFFAOYSA-N	414.347	5.694	30	20	HKED	
COCC[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(C)o1	479761665	ZFKYXPKESVRGBI-LJQANCHMSA-N	406.507	5.119	30	20	HKED	
Cc1cc([C@@H]2CN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CCO2)ccc1F	482930928	LLOQFDRICYRESG-JXFKEZNVSA-N	413.518	5.134	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21	486492626	ATWFADHCWPOOPH-KTDPBYDISA-N	419.594	6.271	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4ccsc4)CC3)c2)cc1	486515470	FWXGLIOEOLXACQ-UHFFFAOYSA-N	403.507	5.824	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1cccs1	489446895	PDDFIPLPILOFPL-CYBMUJFWSA-N	418.975	5.274	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccco1	489460185	GWVBBAOSMBYXNR-UHFFFAOYSA-N	404.495	5.273	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C(=O)c1ccccc1)C(C)C	489641937	OWBKZQVRNWUQQT-JOCHJYFZSA-N	407.539	5.043	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)cc1	490520484	LAFUQGJWCIMSGK-UHFFFAOYSA-N	405.429	5.033	30	20	HKED	
CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	490988611	MVEXZKHDMKCJJK-INIZCTEOSA-N	415.588	5.135	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(Oc4ccncc4)c3)cc2)c1	493479557	LDGZGPWYXKCJLT-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(ccc3ccccc32)[nH]1)c1ccc(Br)cc1	499431887	QMJZJFMLXZXTFE-HXUWFJFHSA-N	404.267	5.078	30	20	HKED	
C=C(CNC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1)c1ccccc1	501416770	LXYXNIRRBFIAPB-UHFFFAOYSA-N	413.477	5.016	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccnc2)C2CC2)cc1Cl	503287789	ZUEJBOQOUBZVAQ-JOCHJYFZSA-N	416.912	5.587	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccsc1)c1ccccc1	505309198	ZIYMOGRLAWXDGO-UHFFFAOYSA-N	406.507	5.021	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccccc4-c4ccccc4C#N)C3)[nH]c2c1	508249762	SPHCAJWBXDDQOF-FQEVSTJZSA-N	420.516	5.430	30	20	HKED	
CCN(C(=O)c1cccc(C#N)c1C)[C@@H](c1cccnc1)c1csc2ccccc12	509475585	MKHJCKMUHPQSHC-DEOSSOPVSA-N	411.530	5.728	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1Cl	510058071	UQZNILVXINMWTJ-KKSFZXQISA-N	409.917	5.028	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)NC[C@H](C)c1ccccc1	510174937	ZGDVJZJURWXWNL-ZWKOTPCHSA-N	401.535	5.021	30	20	HKED	
C=CCOc1cccc(NC(=O)NCc2ccnc(Oc3ccc(OCC)cc3)c2)c1	510676257	WQGFGXLKTCCIPB-UHFFFAOYSA-N	419.481	5.159	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)o1	517443764	BAVMMNHGLJPUHN-ZDUSSCGKSA-N	419.959	5.147	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1cc2c(cc1Br)OCO2	517455402	GENFVHKENMISIV-LBPRGKRZSA-N	405.317	5.042	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1cccc(Cl)c1Cl	518710296	WXCKYFIOVQJQNB-INIZCTEOSA-N	405.672	5.032	30	20	HKED	
N#CCCSc1ccccc1NC(=O)COc1ccccc1Cc1ccccc1	519406908	DVSSSODCZYBDOP-UHFFFAOYSA-N	402.519	5.301	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2cccc(F)c2C#N)cs1	519742031	OBRYLOXUKFIXDV-UHFFFAOYSA-N	411.527	5.748	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCSc2ccc(F)cc21	520195731	JENXPORLCJQTRO-BBRMVZONSA-N	401.532	5.579	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)nc1	520326074	KBNHLDUQUIZSBU-UHFFFAOYSA-N	405.457	5.265	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Br)s1	520939223	NULKKVHKKKPFLZ-LBPRGKRZSA-N	424.389	5.569	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	521016096	GWQFVVKMFCABPL-JLTOFOAXSA-N	403.309	5.193	30	20	HKED	
CCOc1ccc2nc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)sc2c1	521092036	HCTODKPPXNWOCJ-UHFFFAOYSA-N	416.462	5.006	30	20	HKED	
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	522907470	GJAXZFFDUQZFOX-VGOFRKELSA-N	413.949	5.155	30	20	HKED	
N#Cc1ccc(SCC(=O)NCc2ccccc2COc2ccccc2Cl)cc1	525099275	ZECLDQGHFYJQBP-UHFFFAOYSA-N	422.937	5.199	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1	525621702	YKYQMQBMAYYIML-QHCPKHFHSA-N	412.558	5.555	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1c(F)cc(C#N)cc1F	531266141	ZPWREAUDNWVLSV-SNVBAGLBSA-N	417.868	5.413	30	20	HKED	
COc1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)cc1OCCCC#N	531609374	OKLBBRJCHPIJEO-XMMPIXPASA-N	421.928	5.305	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccco1	532691194	SVLNSIKYPUXTHG-UHFFFAOYSA-N	423.325	5.152	30	20	HKED	
CC1CCN(Cc2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)cc2)CC1	532890505	UXNVGEBEZWCIOJ-UHFFFAOYSA-N	413.569	5.308	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1C(F)F	534087622	VBBAJNLSKPFXSF-UHFFFAOYSA-N	401.339	5.011	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(C#N)c(Cl)c1	534386339	XRLUANVSOUAAJM-UHFFFAOYSA-N	409.898	5.192	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	542958937	PXRLIMCLEPEDGV-VLIAUNLRSA-N	423.879	5.151	30	20	HKED	
C[S@@](=O)Cc1cc(NCc2cccc(OCc3ccccc3C#N)c2)ccc1Cl	543066723	LANJJFADFQSZAJ-GDLZYMKVSA-N	424.953	5.281	30	20	HKED	
CC(C)c1ccc(-c2ncc(C[S@@](=O)CCCC3(C#N)CCOCC3)s2)cc1	543786579	GVHRBHVUKLVGDB-NDEPHWFRSA-N	416.612	5.283	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc2c(c1)CCCC2	546228385	MVNHJLPYQOHRLB-MSOLQXFVSA-N	407.583	5.249	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCc1ccc(OCc2ccncc2)cc1	547955634	ARTCWAKMZPVIKR-UHFFFAOYSA-N	401.413	5.238	30	20	HKED	
CC(C)(C)c1nc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2s1	548811902	FDCSILIDHZWQDT-UHFFFAOYSA-N	419.554	5.078	30	20	HKED	
C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(C#N)CC1	549273082	SVRMSIUKPATBBD-UHFFFAOYSA-N	424.508	5.069	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(-c2c(F)cccc2F)cs1	551706589	LPPQUVDQDGKRJD-HZPDHXFCSA-N	410.445	5.082	30	20	HKED	
CCN(C)C(=O)c1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	553822617	MKJXJJDHLFOJFG-UHFFFAOYSA-N	415.518	5.054	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c2ccccc21	560596620	XHHYKBICKDGCLY-SFHVURJKSA-N	400.507	5.306	30	20	HKED	
CCc1cnc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	563563685	CHVNYMBKDRCMPY-MRXNPFEDSA-N	404.539	5.147	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)N(C)[C@H](C)c1cccs1)c1ccc(C(F)(F)F)cc1	563917805	UPCYYWXRPJKQLZ-PBHICJAKSA-N	424.488	5.110	30	20	HKED	
Cc1ccc([C@@]2(C)CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)cc1	569055887	PHEZPCYKCFKDOB-VWLOTQADSA-N	412.493	5.250	30	20	HKED	
N#Cc1ccc(Br)c(CN[C@@H](c2ccc(F)cc2)c2cccs2)c1	571115129	JTKXKZMNQUGVKG-IBGZPJMESA-N	401.304	5.401	30	20	HKED	
Cc1cc(C)n(-c2ccc(-c3noc(CCCCCC#N)n3)c(C(F)(F)F)c2)n1	589114583	KPFWTESYWCNGKP-UHFFFAOYSA-N	403.408	5.184	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCSc2ccc(F)cc2F)n(Cc2ccco2)c1C	590613783	UDWFSYOJRCXGQI-UHFFFAOYSA-N	415.465	5.017	30	20	HKED	
N#C[C@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc2cc(F)ccc2s1	592974522	SNPHQMZJAPVAJU-CQSZACIVSA-N	411.458	5.112	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	601618195	KLGJJSKCBHFWDP-ZDUSSCGKSA-N	413.380	5.460	30	20	HKED	
C=CCN(C(=O)[C@H](CC)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603458811	ABMZKEYHELIXMU-LJQANCHMSA-N	407.495	5.431	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1	603638100	RBHNQUODLSQZNV-UHFFFAOYSA-N	409.489	5.061	30	20	HKED	
N#CCCN(C(=O)c1sc2cc(F)ccc2c1Cl)c1ccc2c(c1)OCCO2	604456531	BMVAPACJQUMUOI-UHFFFAOYSA-N	416.861	5.025	30	20	HKED	
C=CCCCCCN(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	606817050	QNULDZLXAVMGES-UHFFFAOYSA-N	404.510	5.432	30	20	HKED	
CC[C@H](C)n1c(SC[C@@H](C#N)CCC#N)nc2sc3c(c2c1=O)CCCCC3	608848395	QGXZBOPREJAVIV-LSDHHAIUSA-N	414.600	5.234	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609073700	RYDYRVZQHDWFBE-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1	609375517	JBQLICAXYCQLAH-UHFFFAOYSA-N	424.529	5.797	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Sc1ccccc1	609377350	UKEONJGYYXVAOJ-INIZCTEOSA-N	405.548	5.737	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N)CCC2	609555410	JEZGQSKPASQILP-GUYCJALGSA-N	400.573	5.245	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)c2)cc1	609908829	BVUNVSGGKJPGGW-HXUWFJFHSA-N	400.453	5.194	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)c2)cc1	609990795	XALXLJSADFDOBH-UHFFFAOYSA-N	422.444	5.399	30	20	HKED	
N#Cc1cccc(-c2nnc(COc3ccc4ccccc4c3Br)o2)c1	610218473	VAFVDVUHNVKTPY-UHFFFAOYSA-N	406.239	5.103	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccccc1F	610228222	XGIPWJSOTUCYOP-OAHLLOKOSA-N	423.517	5.176	30	20	HKED	
N#C[C@@H](NC(=O)c1cccnc1Sc1ccccc1)c1cccc(C(F)(F)F)c1	611252351	KHHWOBNKVJCVED-GOSISDBHSA-N	413.424	5.246	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	611557077	XYXUXBZJYXEKSG-GDBMZVCRSA-N	403.404	5.545	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ncc(Br)s1	617992234	BQNMWRPKSJFHJB-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
C[C@@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(-c2cccc(C#N)c2)cc1	618826722	WPGAUWGRFGNCEJ-NSYGIPOTSA-N	406.489	5.145	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1C#N	619123262	ZFYNNXSCSICHBG-UHFFFAOYSA-N	406.536	5.237	30	20	HKED	
Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2c(F)cccc12	642156595	DGAYZHRCUBZCQV-URLYPYJESA-N	411.317	5.520	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2ccc(F)cc2s1	642158710	UNBXCBYVZHJUBE-NXEZZACHSA-N	413.358	5.680	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OC[C@@H]4CCCO4)c3)n2)cc1	642281062	FZAQFPJGIGVEMR-SFTDATJTSA-N	418.518	5.166	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)[nH]n1)c1nc2cc(C(F)(F)F)ccc2s1	642282232	XAKFPFRXWOLVSR-CYBMUJFWSA-N	412.396	5.195	30	20	HKED	
COc1cc(C)c(Br)cc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	671764182	JWEYCBBFLCCJHC-GFCCVEGCSA-N	419.275	5.005	30	20	HKED	
Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	678028046	LGIMWDIXWLSZKL-ZDUSSCGKSA-N	410.861	5.073	30	20	HKED	
Fc1ccc(Cn2cc(CNC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)cc1	681971316	HMYMIKMETJVQLS-HUUCEWRRSA-N	423.376	5.070	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)cc(OC)c1OC	727654321	LCKQIHJJEKXFJS-FLIBITNWSA-N	409.507	5.349	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C	728063051	UNECTQXFJUVJOZ-SFHVURJKSA-N	417.484	5.332	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1	728200441	GMUCKFUCVNTMIJ-UHFFFAOYSA-N	423.875	5.289	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	728700718	UXOHZDSCMNAJQK-KUCQQTCKSA-N	404.447	5.510	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)c1	733775527	YXIGLKWYFMXSMP-RDTXWAMCSA-N	405.325	5.169	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CC=CC2)cc1	741064078	XBNBDGHGFCOOAO-UHFFFAOYSA-N	424.504	5.357	30	20	HKED	
CCCCCCn1c(SCc2nnc(-c3cccc(C#N)c3)o2)nc2ccccc21	741840708	CBGDLCXWOGYQAU-UHFFFAOYSA-N	417.538	5.831	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)cc(OC)c1OC	741845341	ZPDSTPDHAXRZNP-WTKPLQERSA-N	412.429	5.263	30	20	HKED	
Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)sc1C	741856683	WCAVSBKVFDOWEO-UHFFFAOYSA-N	402.589	5.286	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1cccc(Br)c1	745707353	IRCACJXGJMURJU-UHFFFAOYSA-N	422.351	5.724	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)c1	745821448	QXVNTCNJKOEKIP-GMKZXUHWSA-N	405.542	5.154	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3cc(F)ccc3C2=O)cs1	747440567	RECJXQXIYJJWBK-RVDMUPIBSA-N	410.445	5.318	30	20	HKED	
O=C(Cc1coc2cc(F)ccc12)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	748299429	PFQOMOFNPYZKRP-PJXYFTJBSA-N	411.317	5.140	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3coc4cc(F)ccc34)n2)cc1	749030211	WLNHXEVBJHOQRV-GOSISDBHSA-N	406.438	5.123	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cn1nc(C2CC2)n(-c2ccccc2)c1=S	751929928	BHXWGWHOJLBLPH-FCHUYYIVSA-N	415.566	5.010	30	20	HKED	
N#C[C@@H]1C(CN2CCCC[C@H]2CCCc2ccccc2)=CC(=O)n2c1nc1ccccc12	752083615	SBWSBQBMDBYONC-XZOQPEGZSA-N	424.548	5.101	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1C#N	752305036	ZRVRWIPAQMPEFI-GFCCVEGCSA-N	420.391	5.028	30	20	HKED	
C[C@@H](C#N)CN(Cn1nc(-c2ccccc2)n([C@H](C)c2ccccc2)c1=S)C1CC1	753988353	PIRGEJFHIZOKEA-RBUKOAKNSA-N	417.582	5.272	30	20	HKED	
CC(C)(C)SCCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	754532371	UCNSGHKJVAPEEX-SFHVURJKSA-N	410.539	5.438	30	20	HKED	
CC(C)COc1cccc(OCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1	754674477	WKLSCSMJDVAWIU-FQEVSTJZSA-N	406.507	5.100	30	20	HKED	
Cc1sc([C@@H](C)NC(=S)Nc2ccccc2C#N)nc1-c1ccc(Cl)cc1	755735573	LIOYXJLZBXLKHD-GFCCVEGCSA-N	412.971	5.691	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cncc(-c2ccccc2)c1	757873449	BHYDGUKLFXLIQH-QGZVFWFLSA-N	410.260	5.017	30	20	HKED	
COc1cccc(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1OC	760417808	UWDGCVPVLAXXIF-NSHDSACASA-N	422.268	5.172	30	20	HKED	
N#C[C@H](C(=O)C1=Cc2cc(F)ccc2OC1)c1nc2cc(C(F)(F)F)ccc2s1	762040625	VTBHYCFBRIQNSZ-CQSZACIVSA-N	418.371	5.106	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3cc4sc5ccccc5c4s3)CCO2)c1	762300556	SYDPZKGNZDJECY-QGZVFWFLSA-N	404.516	5.201	30	20	HKED	
Cc1nc([C@@H](C)ON=C(N)c2nccc3ccccc23)oc1-c1ccc(Cl)cc1	763187364	SIPLYHWMOYMWAR-CQSZACIVSA-N	406.873	5.250	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)cc1C#N	764859210	ZGRQLKSWUJAZDZ-UHFFFAOYSA-N	419.403	5.219	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)on1	768155263	XMHCIZLJQUJMHI-NRFANRHFSA-N	419.550	5.568	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)c2ccccc21	769544706	SIOIXZZFXYPNFT-UHFFFAOYSA-N	420.856	5.005	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CCC(C(F)(F)F)CC1	774056757	YJXLLNICTSJBDA-FDZGAKKTSA-N	407.219	5.009	30	20	HKED	
C=CCC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1	775554190	VJIFCWPVFDJUAJ-JOCHJYFZSA-N	416.487	5.739	30	20	HKED	
C=CCc1cc(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc(OC)c1OC	779029439	HZUICEYZMKPULZ-GOSISDBHSA-N	406.448	5.013	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1	781033876	CLFBZYXWFZEZSH-CYBMUJFWSA-N	405.281	5.276	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)nc2Cl)nnc1-c1ccccc1OC	788098620	GRNDIBGMNBIGIG-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)ccc1OC	788588679	NFMDLKRLYMIZPW-PQEBFOHHSA-N	404.963	5.373	30	20	HKED	
Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc2ccc(C#N)cc12	794230995	KTHJSNKYTPDZSM-ZIAGYGMSSA-N	423.513	5.086	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1	797567143	DMLMDLSLHAOLGE-SSUIOBEFSA-N	416.546	5.866	30	20	HKED	
Cc1sc2ncn(N=CC(c3ccc(F)cc3)c3ccc(F)cc3)c(=O)c2c1C	799867152	FUIJMVREHIYNCY-UHFFFAOYSA-N	409.461	5.019	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C\c2csc(-c3cccc(OC)c3)n2)C(=O)c2ccccc21	802707729	OOJDARMEMBNBIN-RBNQXFGJSA-N	419.502	5.135	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccc(Cl)cc1F	806273532	CQSIDWXFQFQGPR-WHLCRQNOSA-N	420.937	5.022	30	20	HKED	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C1/C[C@@H](C(=O)O)c2ccccc2C1=O	806560519	MPHSECXXAXNTGF-ZAVKOYKVSA-N	414.505	5.067	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	808843569	QJXZNQLPUZUXFU-IAGOWNOFSA-N	402.454	5.047	30	20	HKED	
CCOc1c(Cl)cc(C=NOCC(=O)Nc2c(C)cccc2C(C)C)cc1OC	826538544	FNEFMSLGGNKCQN-UHFFFAOYSA-N	418.921	5.168	30	20	HKED	
Clc1nc2sccn2c1C=NNc1ncnc2sc(-c3ccccc3)cc12	916312396	VWHZHLUDPXCJQU-UHFFFAOYSA-N	410.915	5.167	30	20	HKED	
FC(F)SCc1ccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1	916834477	QNJBWCXAAAGLLG-MYJAWHEDSA-N	411.358	5.735	30	20	HKED	
N#C[C@H](C(=O)/C=C\Sc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	916904328	AINXMJJMENGRCF-CNNWTFKKSA-N	414.486	5.432	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccccc2)cc1	916936229	DTQUIPFFHWIILR-GOSISDBHSA-N	408.816	5.233	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccncc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995220	CMFOOYJUKDBOJN-AWEZNQCLSA-N	420.346	5.480	30	20	HKED	
COCCOc1cccc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)c1	917142968	SWYDQGZHLBGZKJ-ALCCZGGFSA-N	401.256	5.117	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccc(Cl)cc2Cl)cs1	917540275	LYOQRAIBZMPIOX-UHFFFAOYSA-N	423.300	5.720	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1	918039721	LURJJTLLVYDZMV-UHFFFAOYSA-N	423.532	5.451	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)nc3)cc2)CCC1	1786936172	ZAHTVCIFOXPYIC-UHFFFAOYSA-N	419.569	5.059	30	20	HKED	
CN(Cc1ccccc1NC(=O)CSCc1ccc(C#N)cc1)C1CCCCC1	48157378	OTUZCBUHBRNPKT-UHFFFAOYSA-N	407.583	5.195	30	20	HKED	
CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	61774864	DRKYVYYXHLHASX-NRFANRHFSA-N	405.542	5.764	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1oc2ccc(Br)cc2c1C	109367950	COQPHLXCDXHQPY-UHFFFAOYSA-N	409.283	5.204	30	20	HKED	
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1	200274128	GKESAHSQALTHCD-UHFFFAOYSA-N	401.516	5.637	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	303141255	DQHJJPMUQMYBRG-MRXNPFEDSA-N	406.869	5.197	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1-c1ccccc1	428653026	WGIWRKYUWGBFQV-UHFFFAOYSA-N	413.525	5.096	30	20	HKED	
COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1C	431703771	SPOOGDDBVSXOMO-SFHVURJKSA-N	414.303	5.007	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OCC3CCCC3)CC2)cc1	435126466	NCTPUIZGUZGCHO-UHFFFAOYSA-N	419.525	5.554	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)nn1-c1ccccc1	435745763	QEAVIGGNZUOHFR-SFHVURJKSA-N	413.506	5.004	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C)cc2)cc1	437833929	MPLJOSKSEQLSKI-DEOSSOPVSA-N	417.553	5.568	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	439296883	NIGHAVMCWDGFJE-XMMPIXPASA-N	424.504	5.498	30	20	HKED	
CCOc1ccc(Br)cc1NC(=O)N[C@H](CCC#N)c1ccccc1	439385470	LJZQKPPOVPYMLS-MRXNPFEDSA-N	402.292	5.014	30	20	HKED	
N#CC1CCC(CNC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1	441031703	PRRJQWKEYHYLQO-JFIBYHEFSA-N	422.342	5.059	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(C(F)(F)F)cc1	442274945	NTWBCADXZLDLOS-WMZOPIPTSA-N	423.504	5.758	30	20	HKED	
C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1cccc(F)c1	460955776	IUHZFTRFNDVWIN-OAQYLSRUSA-N	422.504	5.019	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCc3c(O)cccc32)cc1Cl	466101857	QXLFKWIJDIIPIL-RBBKRZOGSA-N	417.896	5.510	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccoc1C	466609152	KOVABHLPHJSVGE-OAHLLOKOSA-N	407.499	5.244	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCc3cnc4ccccc4c3)c2)c1	470822791	SCAOBAUUFKZWFT-UHFFFAOYSA-N	407.473	5.257	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc(C(F)(F)F)c1	471271483	BEBSESJSPQNVEA-GFCCVEGCSA-N	421.444	5.168	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl	473478754	GMDGXJIUOJALLK-JTQLQIEISA-N	419.330	5.328	30	20	HKED	
O=C(COc1ccc(F)cc1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474277371	SEGUOVLLSZHQLW-OAHLLOKOSA-N	409.301	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl	475554351	IGHVMNKGYCVLNR-UHFFFAOYSA-N	420.340	5.606	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	476085185	QLQSCLMIDPALPE-UHFFFAOYSA-N	423.944	6.203	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(Cc2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	478088498	QNUDSQCZPPMGPU-SFHVURJKSA-N	418.909	5.198	30	20	HKED	
COc1cc(Cl)ccc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N	479628211	VIODHVYUMIZYFX-AWEZNQCLSA-N	420.987	5.472	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	480356667	OVNCIFKQUTWWRY-WCBMZHEXSA-N	418.309	5.084	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1	483216826	VZFDRWYNMAHXGZ-FQEVSTJZSA-N	404.429	5.092	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@H](CCCC#N)c1ccccc1	487181928	ASMRPKZPDUGHSX-LJQANCHMSA-N	411.477	5.562	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)c1ccccc1	487217706	IKHDVTNUEIGFTP-GOSISDBHSA-N	405.723	5.196	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1ccc(C#N)[nH]1	487766488	AUORLNLDPCBKOL-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCOc3ccc(F)cc3C2)cc1F	488483229	SIKAKSLUAFVXDC-UHFFFAOYSA-N	421.403	5.055	30	20	HKED	
COc1ccc(-c2noc([C@H](C)Nc3ccc(Oc4ccccc4C#N)cc3)n2)cc1	489742090	IQFVVMUJXILEHV-INIZCTEOSA-N	412.449	5.582	30	20	HKED	
C=CCN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc(-c2ccccc2)cs1	499129919	XIAOCYAZHNVVKF-OAQYLSRUSA-N	404.535	5.537	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3cc(C#N)ccc3C)oc3ccccc23)s1	499633426	DFGYXGWQGKHZBT-UHFFFAOYSA-N	420.519	5.317	30	20	HKED	
C=CCc1cc(CN[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cc(OC)c1O	500151257	UVLNRVJRABHRHP-DEOSSOPVSA-N	421.512	5.351	30	20	HKED	
C=C(C)COc1cc(CN[C@H]2CCOc3c(Br)cccc32)ccc1OC	500401472	XNDRZHICMKMVPT-SFHVURJKSA-N	418.331	5.026	30	20	HKED	
COc1cc(C#N)ccc1CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl	500843557	VWGUXNXWXQAVSL-UHFFFAOYSA-N	409.848	5.224	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCOc3ccccc3Cl)c2)cc1	501454110	UHHWQGRGYKDIFU-UHFFFAOYSA-N	420.896	5.393	30	20	HKED	
C=CCC[C@@H](NC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1	502011694	SATBLJLZNORMMY-QGZVFWFLSA-N	422.413	5.103	30	20	HKED	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C[C@H](CC#N)c1ccccc1	505529383	GQTRTSRWIFFIOY-SFHVURJKSA-N	410.477	5.265	30	20	HKED	
FC(F)n1c(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc2ccccc21	505845000	JMEDKPFUBAXPDP-HNNXBMFYSA-N	423.307	5.843	30	20	HKED	
Cn1ccnc1[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(Cl)cc1	507635497	LUFYXJQFCGVAJT-XERBYJISSA-N	404.945	5.157	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)Nc2cc(C#N)ccc2OC(C)C)c1	507784078	ISZAQDKSKZRSGD-UHFFFAOYSA-N	403.482	5.481	30	20	HKED	
C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1	508741181	VOCAGFMDEPJFGM-INIZCTEOSA-N	421.476	5.005	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(c3ccccc3)CC2)cc1	510701441	OKWPCNJRULRREL-UHFFFAOYSA-N	412.493	5.141	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F	510856503	GILJURHLRCJOTC-UHFFFAOYSA-N	405.429	5.128	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1F	511122356	PXFMVGUZFUENEM-UGSOOPFHSA-N	420.257	5.031	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1	511596948	WAQDDJAZXRYTGO-GOSISDBHSA-N	403.404	5.177	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1	512708091	NGGFOWKJOPMDIT-HSZRJFAPSA-N	402.881	5.092	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccncc3)cc2Cl)cc1	516005036	ORIACJSIJXIOPV-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@H](C)c1ccc2ccccc2c1	518666756	ITPQXXUQUMCROM-QRVBRYPASA-N	417.578	5.769	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519057786	RNQFHQOBQPWRHA-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Cc2cccc(F)c2)CC1	519450395	DTICXVHEHGSSRA-QGZVFWFLSA-N	411.546	5.564	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1cccc(C(F)(F)F)c1	520271690	BLTMQHXDTBWEOP-FQEVSTJZSA-N	420.394	5.039	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCC3CC3)n2)cc1	523230830	SDULPAHVHYTDGH-LJQANCHMSA-N	404.491	5.098	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)c2cccc(Cl)c2)cc1	523423408	YIGKXNVDURSWNT-UHFFFAOYSA-N	411.933	5.211	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1	523955918	PWEOZGHVLGNDAR-LJQANCHMSA-N	406.873	5.094	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccccc3)CC3CCC3)o2)cc1	524385374	WZDIFLGIGQBRPU-UHFFFAOYSA-N	400.478	5.173	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3coc(-c4ccccc4)n3)cc2)cc1	525565949	KDVPJATWIRLDBC-UHFFFAOYSA-N	409.445	5.130	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CC)c1c(C)noc1C	533846877	AHEKKOVAEMTMLI-QGZVFWFLSA-N	424.314	5.042	30	20	HKED	
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(C(=O)c2ccccc2)c1	534176742	WETLBBJLSCYKRE-HNNXBMFYSA-N	400.503	5.082	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1C	534750619	QESBUWYESLRIGJ-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
COc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1OCCCC#N	537383820	ONVPMKQFAGLDSB-IBGZPJMESA-N	400.906	5.035	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cc(F)c(Br)c(F)c2)c1	538218409	WYVHTHJUGUABQU-UHFFFAOYSA-N	410.218	5.054	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1[C@H](C)C1CC1	538516963	ZYZKMZFTDBHSGQ-MRXNPFEDSA-N	418.472	5.005	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C	541069089	PAFZKFYXBPUWNY-UHFFFAOYSA-N	404.388	5.133	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)Nc2cccc(CCC(F)(F)F)c2)n1	541906853	HMXNFOXKEQEUMN-UHFFFAOYSA-N	417.366	5.022	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2c[nH]nc2C)CC1)c1ccc(C(F)(F)F)cc1	551643906	GZKIRQLJIWOELJ-FQEVSTJZSA-N	420.479	5.333	30	20	HKED	
COc1ccc(CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)cc1OCCCC#N	554964913	AVHKVZZQQZPBRK-JOCHJYFZSA-N	419.352	5.925	30	20	HKED	
O=C(NCCC1(F)CCC1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	558206303	GPJLQRPSFWRAPJ-CYBMUJFWSA-N	400.338	5.280	30	20	HKED	
FC(F)Oc1ccccc1[C@H](NCc1ccc(C(F)(F)F)cn1)C(F)(F)F	560165020	XUZTYJGEDRSJPD-ZDUSSCGKSA-N	400.269	5.095	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C	564691525	ZDGXAAYQPKCYCS-XMMPIXPASA-N	412.493	5.731	30	20	HKED	
C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C1CCOCC1	578106371	UYPSYXNIWFMULR-UHFFFAOYSA-N	402.951	5.005	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1	583662231	USIQFOSBNIBNOK-HTAPYJJXSA-N	422.504	5.093	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)o2)cc1	592973578	HVUDWMJCUNZYJF-INIZCTEOSA-N	404.422	5.388	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3csc4ccccc34)cn2)cc1	603689304	HBSZTRXJTZJKEF-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
Cc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1C	603818414	JDONHSJEUXABLY-UHFFFAOYSA-N	403.507	5.050	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	604044377	IYUXNEKQXBWDKM-KRWDZBQOSA-N	419.912	5.538	30	20	HKED	
COc1cccc2cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)oc12	604248842	GZJFYVJCSWKDNC-UHFFFAOYSA-N	414.436	5.295	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1C	604443980	IEZBSRNDNOYGNM-QHCPKHFHSA-N	412.493	5.731	30	20	HKED	
Cc1ccc(C)c2sc(NC(=O)c3occc3COc3cccc(C#N)c3)nc12	608802942	PJMMRVPYGIZJRA-UHFFFAOYSA-N	403.463	5.209	30	20	HKED	
COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	609296108	GGWHFJUWXAWJFR-UHFFFAOYSA-N	424.815	5.182	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Oc2ccccc2)nc1	609398772	PPIUSEZFAHGZAG-QGZVFWFLSA-N	418.522	5.447	30	20	HKED	
CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1	609773213	ZXIFEVGHNHLLEI-IEBWSBKVSA-N	413.518	5.072	30	20	HKED	
CS[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	610040401	OZGJCLLTRXLOJW-IFMALSPDSA-N	406.938	6.038	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1C(F)(F)F	610224016	CLFZSKIZSKSNFX-AWEZNQCLSA-N	411.383	5.507	30	20	HKED	
CCOc1ccccc1Oc1ccc(CN=c2c(C#N)c[nH]c3c(C)cccc23)cn1	610273603	XVMKGWPASMKXHK-UHFFFAOYSA-N	410.477	5.035	30	20	HKED	
CC(C)c1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cnn1-c1ccccc1	611052270	RLZSLXDZIMVWKW-UHFFFAOYSA-N	413.506	5.243	30	20	HKED	
C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1F	612574836	KDYPZNJWCOVRPA-DIFFPNOSSA-N	415.228	5.804	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)on2)c1	619217578	SUUNRLVRJBRVGH-UHFFFAOYSA-N	401.372	5.411	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC4CCCC4)cc3)n2)cc1	619756522	RYBSCBSOXYADTI-OAQYLSRUSA-N	413.502	5.493	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	681496155	NCMOCLNRUDUIMM-NSHDSACASA-N	410.280	5.293	30	20	HKED	
C[C@@H](c1cccs1)N1C(=O)/C(=C/c2ccc(N(C)CCC#N)cc2)SC1=S	726629172	JINGRMBCVJDVKF-RVAQLADHSA-N	413.593	5.060	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cnc(-c2ccc(C)cc2C)s1	726754650	PFSILYSCGMBGPN-UHFFFAOYSA-N	412.518	5.176	30	20	HKED	
COc1ccccc1/C(C)=C\C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	727632187	SGBHYECQXYASOI-VSKPTYQZSA-N	410.445	5.377	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NC(=O)c3ccccc3SCC#N)cc2)c1	727807384	WHNCHJMUYGRWKD-IBGZPJMESA-N	416.546	5.681	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1csc(-c2cccs2)n1)C(=O)c1ccccc1	728439059	DGDICYLQKIFJSN-PDGQHHTCSA-N	417.515	5.172	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC(C)(C)c1ccc(F)cc1	728689885	LPLSTGRSNVTHFA-UHFFFAOYSA-N	417.484	5.642	30	20	HKED	
CC(=O)N(c1nc(/C=C2/Cc3c(C)cccc3C2=O)cs1)c1ccc(F)cc1F	729148763	AMHIFUXVMJGDQG-ZSOIEALJSA-N	410.445	5.237	30	20	HKED	
COc1cc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cc(Br)c1O	729149119	BXMLRLKFMTVRBS-WTKPLQERSA-N	414.082	5.293	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730421967	OQVQQEUWDNOEGM-CABZTGNLSA-N	409.269	5.386	30	20	HKED	
N#CCOc1ccc(CC(=O)Oc2ccccc2-c2nc3ccccc3s2)cc1	731962895	VXXHTXYZCDHOOG-UHFFFAOYSA-N	400.459	5.014	30	20	HKED	
C[C@H](OC(=O)CSCC#N)c1ccc(Oc2ccc(Br)cc2)cc1	732520295	BSJOSMBFDRCAQC-ZDUSSCGKSA-N	406.301	5.102	30	20	HKED	
N#C[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccc(Br)cc1	733252819	ACWXYYCQBPGUSG-NRFANRHFSA-N	403.279	5.015	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)ccc1OC	733656431	KUTFTXHJALOEOH-VQIMIIECSA-N	421.497	5.025	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)c1	733806759	LZAGDFVYSQRNTL-PXNSSMCTSA-N	405.498	5.406	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1	733955259	DRSJTYJSMXXSOT-UHFFFAOYSA-N	422.554	5.024	30	20	HKED	
C=CC[C@H](NC(=O)N(CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccncc1	734679986	LPAATIBZAIGEMH-JXFKEZNVSA-N	421.463	5.137	30	20	HKED	
O=S(=O)(Cc1ccccc1)Cc1cccc(N=Cc2c(O)ccc3ccccc23)c1	734749660	LGSMTASUNIPDQS-UHFFFAOYSA-N	415.514	5.411	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cnc2ccccn12	740765710	OMJKDFQKNRNODL-KTKRTIGZSA-N	424.323	5.425	30	20	HKED	
CCOc1ccccc1C=NOCc1ncc(-c2ccccc2Br)o1	742350702	CGUOAFNESQXSCK-UHFFFAOYSA-N	401.260	5.054	30	20	HKED	
Cc1cccc(-c2nn(Cc3ccccc3)cc2CNCc2cc(C#N)ccc2F)c1	742381631	AIHSKUDEGUHMBK-UHFFFAOYSA-N	410.496	5.207	30	20	HKED	
C[C@H](ON=Cc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1C(F)(F)F	749507902	HLMSDQCCGNSDOU-JTQLQIEISA-N	405.203	5.390	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc2ccccc2c1	753392487	BZSRGHKJFQJPEJ-KXBFYZLASA-N	420.896	5.261	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CNc2ccc(CCC(F)(F)F)cc2)cc1C	759777804	OCQWZGGMXNIZKR-UHFFFAOYSA-N	403.448	5.157	30	20	HKED	
O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1nc(Cl)ccc1F	759891802	AMMAKOAMQMKTQD-GFCCVEGCSA-N	401.665	5.353	30	20	HKED	
N#CCOc1cccc(Cc2nc(-c3cccc4c(Br)cccc34)no2)c1	762275685	DOQQMFDSWJHZAH-UHFFFAOYSA-N	420.266	5.145	30	20	HKED	
CC(=NNc1cc(C#N)cc(Cl)n1)c1sc(-c2ccc(Cl)cc2)nc1C	768376152	RFVXKHJCZFIWOB-UHFFFAOYSA-N	402.310	5.528	30	20	HKED	
FC(F)COc1ccc(NC2CCN(CCC(F)(F)F)CC2)cc1C(F)(F)F	774458550	BGZKCKVSKDPYJN-UHFFFAOYSA-N	420.344	5.178	30	20	HKED	
C=CCC[C@H](NCc1cc(=O)oc2cc(O)ccc12)c1ccc(C(F)(F)F)cc1	777725535	JCSIZEGLHIWGSX-IBGZPJMESA-N	403.400	5.315	30	20	HKED	
C=CCN(C(=O)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12)C(C)C	783394917	SIZLIYTWTXAHPE-UHFFFAOYSA-N	423.900	5.042	30	20	HKED	
CC[C@H](CC#N)OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	787086633	CDZZBFMDRSNJFE-XDTFEOGOSA-N	411.386	5.344	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2c[nH]c3cccc(Br)c23)s1	797568418	RLVWWCNGBCHAJN-GFCCVEGCSA-N	416.344	5.103	30	20	HKED	
C=CC[C@@H](OC(=O)CCCn1c(C)cc(=O)cc1C)c1ccc(Cl)c(Cl)c1	810823982	MXPXGYVBFZUHBN-HXUWFJFHSA-N	408.325	5.413	30	20	HKED	
CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1	915308630	MABNTVUMCMOILO-HSZRJFAPSA-N	423.520	5.059	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1OC	915701322	PNRSVHUGTNYYPD-HXUWFJFHSA-N	402.454	5.027	30	20	HKED	
COC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	916056724	GUSWECJLUPWSKT-FQEVSTJZSA-N	419.868	5.426	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)cc1)Nc1ccccc1	916127924	ONBUMQOUCOFWHM-QINSGFPZSA-N	423.415	5.202	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)OCc2csc(-c3cccs3)n2)cc1OC	916422813	ROPOMRDUDCXHNA-CLFYSBASSA-N	413.520	5.202	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1	916844172	WWQJWQTVLAOWHE-QGZVFWFLSA-N	414.328	5.112	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	916888242	UIRVYTAKPBTJDL-MJVIPROJSA-N	420.403	5.017	30	20	HKED	
Cc1[nH]c2ccccc2c1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	916907574	JSMIEWBOLHEXLX-NRFANRHFSA-N	423.472	5.159	30	20	HKED	
N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	916977252	OCZDLVGUKLPASV-IBGZPJMESA-N	419.937	6.144	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c(C)n1-c1cccc(C(C)C)c1	917505249	MYCWEQLBJVOGRD-QFIPXVFZSA-N	415.541	5.026	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)c1	920108200	CFAWYLODCKPCDY-QFIPXVFZSA-N	418.880	5.189	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2c(C)cccc12	920109600	GTGFEDBCNYJAPR-AWEZNQCLSA-N	401.249	5.318	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C3(C)CCCCC3)cc2)CCC1	1791532207	YKVAERBXUFAIIZ-UHFFFAOYSA-N	412.574	5.074	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1	7632552	WAYZQJWIGZDSCK-KRWDZBQOSA-N	406.555	5.374	30	20	HKED	
Cc1csc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	46943074	GXWNWLHSHDCUTR-SFHVURJKSA-N	410.930	5.125	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc(Br)cc3C)n2)cc1	51154778	DCBFZGKOVCKLQK-ZDUSSCGKSA-N	401.285	5.273	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c(F)c2)cc1	303311295	FRJCOEXXLCOCGP-QGZVFWFLSA-N	404.510	6.448	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1cccc(C(C)C)c1	410349949	CNTVCFHCMPDVBR-SFHVURJKSA-N	415.493	5.583	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	428199142	LNQDIMGDQKBUIV-QGZVFWFLSA-N	419.506	5.262	30	20	HKED	
C[C@@H](C1CC1)n1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	428219080	LQSPFWTXCSRBBE-INIZCTEOSA-N	402.523	5.270	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1OC(C)C	431813441	WHZUUTFLEWLCRS-GHTZIAJQSA-N	409.530	5.278	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1	433013728	YPWFDWFXVNEIBU-OAQYLSRUSA-N	419.525	5.081	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cs1	433777698	ORFAEXBFOZHMPZ-UHFFFAOYSA-N	400.507	5.311	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2s1	435190849	KAIZXFJKHXTZHX-KXBFYZLASA-N	410.930	5.562	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1	438379765	PTVWCLUUVHGUOO-UHFFFAOYSA-N	420.900	5.841	30	20	HKED	
CCc1ncsc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	442060754	RKCUWCJWNLULRG-NSHDSACASA-N	408.335	5.626	30	20	HKED	
CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	444368694	YCJFIPUZZCLDFQ-YKSBVNFPSA-N	419.500	5.076	30	20	HKED	
C[C@H](C(=O)Nc1nc(-c2ccccc2)c(Br)s1)c1cccc(C#N)c1	462259660	QZPCRGJKCGEHIE-LBPRGKRZSA-N	412.312	5.186	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1	462498822	CGJSGCVQOXRQMJ-INIZCTEOSA-N	417.896	5.515	30	20	HKED	
CN(C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1cc(Cl)ccc1C#N	464269611	BFVZNKRAIBZEEX-UHFFFAOYSA-N	405.763	5.162	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(COc2ccccc2F)on1	466427491	AAVBLGQHFYFWGQ-AWEZNQCLSA-N	411.458	5.039	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	466604317	MZWGMCGYGMBWKU-FQEVSTJZSA-N	403.486	5.005	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	469225071	SDJCCYVGTXYOGP-UHFFFAOYSA-N	421.456	5.470	30	20	HKED	
COC1CCC(C)(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1	471251599	HIGJZVPMVYRMOP-UHFFFAOYSA-N	407.514	5.376	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)cc1	474745412	BQPCUPKBUYYBLT-UHFFFAOYSA-N	412.436	5.514	30	20	HKED	
C=C(C)[C@H](NCc1ccc(OCc2csc(C)n2)cc1)c1ccc(F)c(F)c1	479409301	JPQFVZWXDJTDKK-QFIPXVFZSA-N	400.494	5.716	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2ccccc2n1C(F)F	481083024	XRPAWEYFLLCBMN-ZDUSSCGKSA-N	407.511	5.188	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1cccs1	481378321	UPBAHQJKQYYWNA-LJQANCHMSA-N	424.595	5.039	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC(F)F)cc1	482059896	JOBCCWGACVLBNO-UHFFFAOYSA-N	420.843	5.008	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc(CC4CC4)nn3-c3ccccc3)CC2)cc1	482589245	ZKFBQZNEZNQEQW-UHFFFAOYSA-N	423.520	5.018	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	483996827	WLMPVLLOOLDDQN-MRXNPFEDSA-N	400.265	5.205	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3ccsc3)CC2)cc1C	485716537	FLOQFRSGGYZATG-UHFFFAOYSA-N	418.566	5.162	30	20	HKED	
C=CCn1c(SCc2cc(C)ncn2)nc2scc(-c3ccc(C)cc3)c2c1=O	488265458	RCQPRGMZDREMMM-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccccc1C	488893643	BCTBGZVVWZFJEH-AWEZNQCLSA-N	409.540	5.404	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1	489147780	IWFUAXJPYKSTRR-UHFFFAOYSA-N	424.407	5.479	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(OC(F)F)c2ncccc12	489962147	ZYSYRJZOXFHGGQ-UHFFFAOYSA-N	415.399	5.627	30	20	HKED	
Cn1c(SCc2cc(C#N)ccc2Br)nnc1-c1cccc(Cl)c1	491582368	XEUIYFVZVOTDFE-UHFFFAOYSA-N	419.735	5.062	30	20	HKED	
C=CCc1ccc(OCC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c(OC)c1	498990405	KNWLPESEQIXOLR-OAHLLOKOSA-N	407.432	5.041	30	20	HKED	
C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	499383041	VAEUBVXPPFBZNF-REWPJTCUSA-N	412.574	5.084	30	20	HKED	
CC(C)c1ccc(SCC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1	499411085	HAQATEPMFTVVCH-GOSISDBHSA-N	403.345	5.046	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2COCc2ccccc2)nn1-c1cccc(C#N)c1	504073875	CMZUVJRRKSCYSW-UHFFFAOYSA-N	422.488	5.022	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccco1	505808601	IOLVJBXIZZRWKT-NRFANRHFSA-N	415.493	5.133	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1	505825372	IYOCWTFDYXZEEP-FQEVSTJZSA-N	423.463	5.231	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)CC2)cc1	507008816	UGLYDAZTLNNQEA-UHFFFAOYSA-N	403.816	5.134	30	20	HKED	
CCN(C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)c1ccc(C#N)cc1	510362637	OOXKMZPORFGGOX-UHFFFAOYSA-N	423.520	5.526	30	20	HKED	
CN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510645112	KWDAAXQZSWUASM-UHFFFAOYSA-N	405.429	5.032	30	20	HKED	
Cc1ccc(/C=C\c2cc(C(=O)N[C@@H](C)CC#N)c3cc(Br)ccc3n2)o1	512010485	PSYYDSCRQFUCBW-VGVVRCBHSA-N	424.298	5.101	30	20	HKED	
C[C@@H](NC1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCC1)c1ccccc1	517618563	ONUJJUBEWIBZHJ-LJQANCHMSA-N	404.558	5.273	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1	518003660	OGEYMASFKPGYQQ-UHFFFAOYSA-N	422.978	5.094	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1cccs1)N1CCCC1	518753718	ZCSUJHGWPROMNO-SJLPKXTDSA-N	414.600	5.101	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	518755232	AUKOZFYJRQECHP-ZDUSSCGKSA-N	408.354	6.052	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	524127192	HNQKCSYGXVMULL-MJGOQNOKSA-N	410.930	5.725	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)c(F)c1	525652614	AXIJVOMJDUFGIW-INIZCTEOSA-N	406.432	5.352	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1	532489352	GGZHAISBZYYSOG-HNNXBMFYSA-N	421.488	5.028	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	539307870	CSOXQDJAFXPFDF-OAQYLSRUSA-N	401.470	5.060	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)Cc2cccc(OCc3ccccc3C#N)c2)cs1	539823665	IOVHAKQHAZLKEK-GOSISDBHSA-N	421.566	5.323	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	542025880	IHQGINDWYSIDPL-KXBFYZLASA-N	411.575	5.428	30	20	HKED	
C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1	542759760	FFYTXJPMSPGOOK-WYEJZRMESA-N	410.521	5.474	30	20	HKED	
CC(C)c1nc(Cc2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)cs1	547093837	JOBYSJBZLHZYIE-HJWRWDBZSA-N	403.511	5.279	30	20	HKED	
O=C(Nc1ncc(C(F)(F)F)s1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	548993585	OTUFOCKMXKSUDI-SECBINFHSA-N	401.307	5.116	30	20	HKED	
Cc1csc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1C#N	554774695	WVOHWIBKEOZUOZ-UHFFFAOYSA-N	405.266	5.070	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	558713949	DLSFUJOUACSRFB-VBKZILBWSA-N	406.917	5.468	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3CCc3ccccc3)cc2)ccn1	567203104	ACKVKPLJSBELKE-JOCHJYFZSA-N	412.493	5.375	30	20	HKED	
CC(C)(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)cc(C#N)c1	586075743	XNRMVOQUCHVFPI-NHAGDIPZSA-N	424.360	5.001	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1Br)c1ccc(Br)cc1F	586788436	UTKPGVQFYZGWKP-JTQLQIEISA-N	412.100	5.073	30	20	HKED	
C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1cccc(Cl)c1Cl	590228900	GIAHPECOTXARCO-SNVBAGLBSA-N	424.353	5.040	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cn2)c1	603621975	GIBALNIJJSVFNZ-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)nc3)cn2)cc1	603765218	SMNZHLXVPKGOAW-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc2ccccc2n1	603835699	JWKDYPPGAMZCPO-FQEVSTJZSA-N	409.401	5.425	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F	608945610	RVYAVZYBYYMCDO-HNAYVOBHSA-N	402.416	5.098	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cs1	609376579	DWDKEPRYRORMOO-OAHLLOKOSA-N	423.563	5.535	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN1CC1CCCCC1	609452036	HIKAEKJGTQKANW-ICSRJNTNSA-N	414.619	5.247	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1c(Cl)cccc1Cl	609589192	PKIJAWPPTXJQER-LBPRGKRZSA-N	413.688	5.995	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C[C@@H]3CCOc4ccccc43)cc2F)c1	609785288	XFMZDYXYGVKAEY-IBGZPJMESA-N	416.452	5.171	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCS[C@H](c4ccccc4)C3)c2)cc1	609789955	OMLYAUBWYONCEU-QHCPKHFHSA-N	400.503	5.281	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCc3ccnc4ccccc34)c2)c1	609907142	NDVDTIKAZATRDH-UHFFFAOYSA-N	407.473	5.257	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1SCC(F)F	610019444	BPVQUZPTIYCGAS-UHFFFAOYSA-N	421.488	5.745	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	610093781	WKLHTWZMQNZYMZ-GCJKJVERSA-N	424.957	5.899	30	20	HKED	
COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	610107009	MYMPAEGNHMONTK-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(OCC2CCCCC2)CC1	610236961	BZJGRYXHKOSNRC-UHFFFAOYSA-N	402.538	5.427	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	611109602	WIJDHUJUEOHOMC-YMPZKCBVSA-N	417.509	5.128	30	20	HKED	
Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)nc1	611791813	JYIZKOKSNPYQAM-HXUWFJFHSA-N	424.548	5.023	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cccs1)c1ccc2ccccc2n1	613291002	RCQVYJXMHFGICC-LJQANCHMSA-N	400.528	6.079	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1	613314334	LDPLRESJJNMMBP-HXUWFJFHSA-N	412.518	5.411	30	20	HKED	
COc1ccc(CNc2ccc(C(F)(F)C(F)(F)F)cc2)cc1OCCCC#N	613657700	BFKMETRFXADYIM-UHFFFAOYSA-N	414.374	5.644	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](c2ccco2)C1	614137873	YSVWQETUSBSFKP-JXFKEZNVSA-N	402.454	5.344	30	20	HKED	
C=CCc1ccc(OCC(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c(OC)c1	614685458	BQCSNQUCFHOUJZ-UHFFFAOYSA-N	422.912	5.084	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cn2)cc1	618045026	TYSREWOHQASKJF-UHFFFAOYSA-N	419.440	5.229	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@](C)(C#N)C1	619834366	TYPONLQSKUJXHS-CLOONOSVSA-N	415.541	5.277	30	20	HKED	
N#CCCCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1	619855575	AAEYUCDVDOMZPH-UHFFFAOYSA-N	405.365	5.609	30	20	HKED	
COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cs1	622255347	VSBUEOVYDXPAGP-CYBMUJFWSA-N	424.432	5.054	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	642281845	OBJJDRXZWPAHOS-SFHVURJKSA-N	404.882	5.139	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1C	642281992	AJZAYDAICSMQAP-CYBMUJFWSA-N	420.412	5.131	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](c2ccccc2)C1	669807197	IBJPXBIKZPJCRF-UWJYYQICSA-N	424.545	5.038	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccc(Cl)cc1	679239048	UQCJPLQBBYCJBF-HNNXBMFYSA-N	410.861	5.073	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(SCc2ccccc2)cc1	726754641	OYIOHEPTKDATJB-UHFFFAOYSA-N	423.541	5.728	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1c(Cl)nc2sccn12	727267387	JFZJHZLZBAFFTE-VOTSOKGWSA-N	403.891	5.516	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ccc(-n2cncn2)c(F)c1	727654017	FJIHGUQYYJCMHP-OQFOIZHKSA-N	424.888	5.388	30	20	HKED	
CCOc1c(OC)cc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc1OC	727781600	RCPSUHTZGFPEAK-VAWYXSNFSA-N	409.507	5.431	30	20	HKED	
Cn1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc(Cl)c1Cl	728187492	XATNSEYSFMFRKP-UHFFFAOYSA-N	418.255	5.174	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(O[C@H](C)C#N)cc2)CC3)cc1	728698642	PBOYOXNGFBTGLO-YZYPPFLQSA-N	400.503	5.622	30	20	HKED	
CCCCn1c(SCc2ccc(OCC#N)cc2)nc2sc(C)c(C)c2c1=O	729242364	SESJABICPQUJNT-UHFFFAOYSA-N	413.568	5.070	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)nc2ccccc21	730394841	NSPNZHCQGIVGSU-AUSIDOKSSA-N	415.493	5.422	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730416208	BUOAEIAGUIVKDM-AVRDEDQJSA-N	402.450	5.432	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1	733807977	XSCXYWIYTASYMK-SIKLNZKXSA-N	423.513	5.157	30	20	HKED	
FC(F)Sc1nc2ccccc2n1CN1CCC(C(F)(F)F)(C(F)(F)F)C1	735301515	LALPDDBNUVEYMY-UHFFFAOYSA-N	419.341	5.125	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(OC2CCCCC2)cc1	735592746	DROFNCNITASANP-GOSISDBHSA-N	414.864	5.152	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)c1=S	738285883	VGDDNRHPFTUTQE-KNQAVFIVSA-N	419.598	5.401	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3cnn(-c4ccc(Cl)cc4)c3)c2)s1	740011196	KFDXZYRCYPQXCA-UHFFFAOYSA-N	404.926	5.416	30	20	HKED	
COc1ccc2cc(C(C)=NNc3nc(-c4ccccn4)nc4c3CCC4)ccc2c1	741813492	RKLBQQUFPMAGQH-UHFFFAOYSA-N	409.493	5.025	30	20	HKED	
Cc1ccc(F)c(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	745724701	VHAJLHNYYHOYRR-UHFFFAOYSA-N	407.489	5.857	30	20	HKED	
CN(C)[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1c(F)cccc1Cl	746125195	DHEZRMLDDNDJPI-WMZHIEFXSA-N	421.903	5.376	30	20	HKED	
N#C[C@@H](COC(=O)c1cnc(-c2ccccc2Cl)s1)Cc1ccc(F)cc1	748007254	HVJUKRSEJMGAMT-AWEZNQCLSA-N	400.862	5.142	30	20	HKED	
COc1ccc(OCc2nc(/C=C/C(=O)c3c[nH]c4cc(F)ccc34)cs2)cc1	749454338	YMHWGPJRKSDLKG-YCRREMRBSA-N	408.454	5.247	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(C#N)cc2)cc(Br)c1OC(F)F	750899521	ILUKZZANAARNOO-YVMONPNESA-N	422.225	5.217	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	756244601	VAJGFSWNJRGMPJ-IAQYHMDHSA-N	404.919	5.693	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@H](c2ccccc2)C(C)C)c1=S	764996222	UACAGDCCURWTQX-NRFANRHFSA-N	407.587	5.339	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C\c2ccnc(Cl)c2)cc1	770416458	SNIBQSZNGQHIKP-OQFOIZHKSA-N	405.841	5.059	30	20	HKED	
Cc1ccc(N2CCOC2=O)cc1NCc1cccc(OCc2ccccc2C#N)c1	770602209	IQCJEWWLJCBORY-UHFFFAOYSA-N	413.477	5.014	30	20	HKED	
CN1C(=O)CCc2cc(/C=C3\CCc4nc(-c5ccccc5F)sc4C3=O)ccc21	774138597	KXAVXJXNCCAUIK-DTQAZKPQSA-N	418.493	5.071	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)ccc1OC	781906298	XBDDPFBPBKOKHB-VGOFRKELSA-N	404.913	5.656	30	20	HKED	
N#CC(CCOC(=O)c1coc(C2CCCC2)n1)(c1ccccc1)c1ccccc1	786665133	CPDIENWXMRVZOE-UHFFFAOYSA-N	400.478	5.389	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3F)c2)cc1	792923108	FXJBWQQLYCGVLG-XNTDXEJSSA-N	403.453	5.003	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)s1	797572482	AIQRQXYMXKVVDY-HNNXBMFYSA-N	413.930	5.558	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cl)c3ncccc23)cc1	802043403	ZTHDEFROZIZCJW-LJQANCHMSA-N	405.885	5.192	30	20	HKED	
CN(C)c1cccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	805855580	OBNZLKUHZOQBEK-IBGZPJMESA-N	409.942	5.339	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C1/C[C@H](C(=O)O)c2ccccc2C1=O	806560204	JHPBSIPQFMLGCL-XHVGKJTDSA-N	400.478	5.008	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)cc1	810114468	AESBJNZIRVCIIM-QHCPKHFHSA-N	414.892	5.235	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](Cc2ccccc2)c2ccc(OC)cc2)c1	810225386	CGVKUBYSQFXGQH-JYFHCDHNSA-N	400.522	5.450	30	20	HKED	
Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c(C)c1	916208335	ZLNQWQMRCZJVDW-OAQYLSRUSA-N	421.566	5.043	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1	916683815	LHPAQWUALNGUFM-SIKLNZKXSA-N	420.900	5.661	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2c(s1)-c1ccccc1CC2	916916155	OVHIFPUSUQDMQF-NRFANRHFSA-N	422.509	5.628	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)Cc1ccccc1-2	916932337	SXAUBQDXNTYJFV-IBGZPJMESA-N	421.283	5.526	30	20	HKED	
C/C=C/c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)c1	916972245	LVWFYWDEDQCLHG-PXPVJAHISA-N	418.518	5.416	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2)cs1	916976433	OGKNINNVLPEHHX-BRLPQQTGSA-N	405.331	6.068	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917042827	HOKARXVSPJOSMV-INIZCTEOSA-N	402.441	5.741	30	20	HKED	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140773	JNIVPHCIDLZEFB-UGTJMOTHSA-N	421.566	5.335	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)s1)c1nc(-c2c(F)cccc2F)cs1	920805312	BRSVXQMMLAREJV-DUMNWFOQSA-N	406.866	5.693	30	20	HKED	
CC(C)n1c(O)nc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc21	1565688199	MVSWMELIJFRLHS-UHFFFAOYSA-N	412.449	5.239	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CCC1	1789733896	WJEAFUCBXYNHFJ-FQEVSTJZSA-N	423.944	5.251	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1	1821925967	FDYFLXCWNFKEJZ-XCJLJZCSSA-N	414.594	5.076	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824675752	BRXPTBOKVRLTFE-RTWAWAEBSA-N	414.615	5.058	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cccc(C#N)c4)[nH]c(=O)c23)s1	14179698	LUFXJJHXDXBDJA-NVNXTCNLSA-N	409.923	5.630	30	20	HKED	
CC(C)c1c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cnn1-c1ccc(F)cc1	24876899	CYHSTZYXOFOOGK-UHFFFAOYSA-N	424.479	5.182	30	20	HKED	
CN(Cc1csc(COc2ccc(Cl)cc2)n1)Cc1cc(C#N)ccc1F	30209579	QUDHHHMXNBOUBZ-UHFFFAOYSA-N	401.894	5.018	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3Br)c2)c1	32292052	ALAGUFTVOQUASH-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1c(C)cc(C)cc1C	32787672	YTPLPDHRAVDNLX-LJQANCHMSA-N	420.582	5.099	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c12	65680270	PAQAJLBEIZLDOR-UHFFFAOYSA-N	410.433	5.325	30	20	HKED	
N#CCc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1	195610658	YHGZURKTGYKUGI-UHFFFAOYSA-N	423.497	5.359	30	20	HKED	
C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1nc(-c2ccccc2)cs1	302668315	NBARRQKOYMXWHI-ZDUSSCGKSA-N	401.451	5.311	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)c2)cc1	303205279	PNRSMWLMQUJVKM-XMMPIXPASA-N	414.461	5.161	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	303683173	ZIQKGRZPNNMDOM-KGLIPLIRSA-N	421.312	5.528	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC2)c1	409658036	VTLZSXBIJHEDGX-UHFFFAOYSA-N	424.544	5.030	30	20	HKED	
CCCN(CC)C(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	409735927	FCWZLTODCKCKDE-UHFFFAOYSA-N	409.555	5.013	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc(C3CC3)nc21	430588194	YSJZKUBNDHSSEF-HNNXBMFYSA-N	407.543	5.134	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2cccc(Cl)c2)C1	433294645	AEYFIQYQNDSCCI-AEFFLSMTSA-N	413.974	5.020	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	438045023	QFWLJJIJDBBOAZ-DYESRHJHSA-N	413.562	5.808	30	20	HKED	
COc1ccc(CN2CCC(c3nc4cccc(C)c4o3)CC2)cc1OCCCC#N	438341372	SMLBJOONXFPXBO-UHFFFAOYSA-N	419.525	5.207	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C	460371491	BRBSCEVIERADSY-PKOBYXMFSA-N	423.586	5.335	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cc2)cc1	462923046	JYVAYXCWALQHPD-DHLKQENFSA-N	412.489	5.195	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc2)cc1	473657621	GBVYPHRMSKTWNS-VWLOTQADSA-N	411.461	5.014	30	20	HKED	
Cc1cc(C)cc(Oc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)c1	473775068	KCAOSUGRWVDBHC-UHFFFAOYSA-N	400.482	5.439	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1c(C)nn(Cc2ccccc2)c1C	475578663	QDRSDFMGWZDFJR-UHFFFAOYSA-N	416.569	5.722	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1	475599981	DCEJJJSUHWEJFR-UHFFFAOYSA-N	419.504	5.273	30	20	HKED	
N#CC[C@@H](CC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1	477011048	KTGBWXLPTBIIFS-HNNXBMFYSA-N	400.309	5.221	30	20	HKED	
COC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	478568487	LOVAXUFRHRDLJT-UHFFFAOYSA-N	415.449	5.019	30	20	HKED	
COC(=O)c1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(F)cc1F	481749595	WPDTZNAVJQLLGB-UHFFFAOYSA-N	424.428	5.027	30	20	HKED	
Cc1ccc(CN(C)C)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	482604997	GUCVCNLYMALAGH-UHFFFAOYSA-N	401.535	5.332	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	482751067	OMYAIXVJNLLKHE-UHFFFAOYSA-N	405.951	5.077	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483216262	KFUOEEGCMXHTTC-CYBMUJFWSA-N	423.259	5.390	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)cc1	486531942	MAIDGLBVBNGAAE-UHFFFAOYSA-N	409.411	5.129	30	20	HKED	
CCO[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1	486893588	FIYAFVOYSTYJHX-NRFANRHFSA-N	402.519	5.217	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1	487453723	GDUZEWYQAHQGIB-LJQANCHMSA-N	413.308	5.344	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(C(=O)OC)o2)nnc1-c1cccc(Cl)c1	489630641	REBAZWXAQRDQFS-GFCCVEGCSA-N	403.891	5.017	30	20	HKED	
O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cc(F)c(OC(F)F)cc1F	491300266	XTAXKRQZLMEWBX-DTWKUNHWSA-N	402.310	5.056	30	20	HKED	
C[C@H](C1CC1)N(C(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cccc(C(F)(F)F)c1	494602030	NHOQSJCUBMMJRS-OAHLLOKOSA-N	424.426	5.208	30	20	HKED	
C=CCN(C(=O)c1cnc(C)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	499295345	OIJOONQQCATLDB-UHFFFAOYSA-N	410.351	5.715	30	20	HKED	
C=CCc1cc(C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC	499377206	FIQGANIQRRXODC-AWEZNQCLSA-N	407.432	5.284	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1	505036401	WQIZDVXCTLWQCR-FQEVSTJZSA-N	404.432	5.429	30	20	HKED	
COc1ccc(CN(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1OCCCC#N	507354504	DCAPUGNQFSPYSX-MRXNPFEDSA-N	406.448	5.590	30	20	HKED	
CCOCc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510727612	BBSJJEDTHFRCMR-UHFFFAOYSA-N	415.493	5.517	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1	511313439	HFXBJHSZBVBXAO-GOSISDBHSA-N	423.582	5.373	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1	512564024	HGOFRTAUOGVZCE-RUZDIDTESA-N	417.509	5.713	30	20	HKED	
N#CC1(C(=O)NCCCCOc2ccc(OCc3ccccc3)cc2)CCCCC1	512957964	YTVQHMNEULMTFJ-UHFFFAOYSA-N	406.526	5.015	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	513729523	YWSJEDXINHFDKX-MRXNPFEDSA-N	403.482	5.069	30	20	HKED	
C=CCN(C(=O)c1ccc(C(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514616697	ALABSKUEZZCMAI-UHFFFAOYSA-N	407.495	5.675	30	20	HKED	
C=C(C)CN(CC)C(=O)CSCc1csc(COc2ccc(Cl)cc2)n1	515719835	YIHITHYGCDKCEH-UHFFFAOYSA-N	410.992	5.033	30	20	HKED	
COc1ccc(CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	516538288	CJSJJYTVEGMEDW-UHFFFAOYSA-N	416.546	5.222	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Cl)c1	520921852	IPZSIKBIOQYRMA-KRWDZBQOSA-N	419.912	6.060	30	20	HKED	
C=CCN(C(=O)[C@@H](C)CSC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	520924506	ZPNLTYPUTOCJBW-NSHDSACASA-N	401.384	5.635	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	521289324	FEDMVPKVZBRASJ-QGZVFWFLSA-N	407.480	5.266	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1	522633251	JDMSCRKUWCJCMC-UHFFFAOYSA-N	423.881	5.232	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(c2c[nH]c3ccccc23)CC1	523590737	AEFADKIURPNMKV-UHFFFAOYSA-N	420.516	5.374	30	20	HKED	
CCC[C@@H](CCc1ccccc1)NC(=O)c1occc1COc1cccc(C#N)c1	525037850	WNNAGQILPPIVMM-QFIPXVFZSA-N	402.494	5.262	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1c(F)cccc1Cl	527505131	WJMKSZVGWXVGIH-ZDUSSCGKSA-N	408.951	5.745	30	20	HKED	
CCC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1	534875639	QAGUGWRMMIGXCL-UHFFFAOYSA-N	419.868	5.605	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccncc4)s3)n2)cc1	535640449	MOXULJJQGAENNH-MRXNPFEDSA-N	402.504	5.127	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C(F)(F)F)cc1	536839314	OVILOAMHOFRSOA-KKSFZXQISA-N	400.448	5.644	30	20	HKED	
COc1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2	543880549	RLRFUSKXIHLTFD-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
CCCCSc1ccc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)cc1C(F)(F)F	544863803	BPYHVNCPGAGZSI-OAHLLOKOSA-N	407.461	5.495	30	20	HKED	
C=CCNC(=O)c1cccc(-c2noc(-c3cc(-c4ccccn4)ccc3Cl)n2)c1	547073906	DMNOCGYFMAEAFZ-UHFFFAOYSA-N	416.868	5.035	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1	548170708	CCYVYJPZMOIWOE-QGZVFWFLSA-N	411.811	5.448	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)c2)c1	551105314	AMTBXMGFDSQJAD-LEWJYISDSA-N	415.880	5.206	30	20	HKED	
FC(F)(F)C[C@H](NCc1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1	551738878	NGNWINFERVMNLU-AWEZNQCLSA-N	416.287	5.903	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	552586406	GEUPHRBYMNIRAP-UHFFFAOYSA-N	415.280	5.133	30	20	HKED	
Cc1cccc(Nc2ccccc2C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1C	554542089	KOLWGRVFQRYGGS-UHFFFAOYSA-N	410.521	5.140	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)s1	560600356	DMCIVMZBAAMUDW-HNNXBMFYSA-N	421.488	5.550	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)c1cccc(C#N)c1	588150966	PVYYBMZTRCXSNT-HNNXBMFYSA-N	401.432	5.260	30	20	HKED	
C=CCn1c(SCc2nc3cc(F)ccc3n2CC)nnc1-c1cccc(C)c1	589273410	RVOMBEFSSMHTCI-UHFFFAOYSA-N	407.518	5.241	30	20	HKED	
Cc1cccc(-n2c(Sc3ccc(C#N)cn3)nnc2-c2c[nH]c3ccccc23)c1	602374699	SCYMZRDKNFUQOX-UHFFFAOYSA-N	408.490	5.142	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2C(C)C)cc1	603564071	FYWHGGBKTMDACU-UHFFFAOYSA-N	404.539	5.368	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)CSCc1ccc(C#N)cc1	603730405	BYXWTSSCWLFHSO-UHFFFAOYSA-N	422.575	5.091	30	20	HKED	
Cc1cc(-c2cccc(F)c2)nnc1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608080414	XSIITQRAEXRARE-CHWSQXEVSA-N	407.333	5.158	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NCCc2cc(Cl)cc(Cl)c2)c1	608806341	ADSIOGFARIOIQR-UHFFFAOYSA-N	415.276	5.010	30	20	HKED	
CCc1c(C)sc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c1C#N	609032905	LYOJWXXMKHDPJR-UHFFFAOYSA-N	411.552	5.016	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)c2)cc1	609209586	CXLGUYVEDNRCQW-DNQXCXABSA-N	413.477	5.392	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl	609402011	SUVVYGXNGRVCGJ-KBPBESRZSA-N	422.381	6.470	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(OC(F)F)cc3)cc2)c1	609434219	GBSSGLPQSJQJSN-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
COCCOCc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	609601672	OIQCPOQYTDJWMX-UHFFFAOYSA-N	417.465	5.158	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1OCCc2ccccc21	609641978	PMRZTDDOFNKPLU-VWLOTQADSA-N	414.480	5.243	30	20	HKED	
CC(C)(C)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609657519	GMGRFSDPVIDXGK-UHFFFAOYSA-N	400.478	5.975	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1	609736334	FJKCVDWIESEMRQ-UHFFFAOYSA-N	414.852	5.646	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)c1	609742607	IPOUIFJZVFZLTH-QFIPXVFZSA-N	418.880	5.687	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(Cc2cccc(OC)c2)C[C@H]2CC[C@H]1C2	609785947	UKHZJQRMHRDRNX-DDZLNHKNSA-N	414.549	5.131	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccc(Cl)c1	609804073	BBDFLGXRFFVWMY-QFIPXVFZSA-N	422.868	5.339	30	20	HKED	
CC(C)c1ccc([C@@H](C)CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1	609969967	SYIQSBFDDBGYLV-IBGZPJMESA-N	417.553	5.053	30	20	HKED	
CSc1cccc([C@H](NC(=O)N2CCC[C@](C)(C#N)C2)c2cc(F)ccc2F)c1	612375274	MHARQFSNGXVBOO-RBBKRZOGSA-N	415.509	5.111	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1	613319247	AYRFOANFVMEEQJ-LBPRGKRZSA-N	423.744	5.778	30	20	HKED	
CC(C)c1ccc2ncc(C#N)c(N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2c1	618584803	LBEODXOQVAOEDJ-GJZGRUSLSA-N	401.354	5.407	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)N[C@H]1CCc2cc(C#N)ccc21	618841036	OQDJPJWNKWNFDY-KKSFZXQISA-N	416.550	5.380	30	20	HKED	
O=C(c1c(F)c(F)cc(F)c1F)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1	622594318	QDZXRXYDBCRKLK-NSHDSACASA-N	405.313	5.282	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	669964306	QMAVBYLZRXHGPW-QGZVFWFLSA-N	413.477	5.326	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1	726733238	SSOYPBWTNUXGRX-IBGZPJMESA-N	406.482	5.386	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)OCc3ccc(C#N)cc3)c2)cc1	727556502	UXAASLYVGIBEJN-UHFFFAOYSA-N	413.473	5.016	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1	728813587	NRPAANBJKVDXKM-INIZCTEOSA-N	400.240	5.435	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Br)cc2)cc1	730130108	BKEWRBFAEZIZAT-OAQYLSRUSA-N	420.310	5.426	30	20	HKED	
N#C[C@@H](C(=O)COc1ccccc1-c1ccccc1)c1nc2cc(F)ccc2s1	730416457	CNNNXUSAVNNZNF-SFHVURJKSA-N	402.450	5.358	30	20	HKED	
CCCOc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	733081103	NGUOUMMWBNFBGX-UHFFFAOYSA-N	415.419	5.182	30	20	HKED	
C#CCN(Cc1ncc(-c2ccccc2)o1)[C@H]1CCOc2ccc(Br)cc21	733195832	WNPQJDLUAXRMKB-IBGZPJMESA-N	423.310	5.063	30	20	HKED	
CCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1cccc(O[C@H](C#N)CC)c1	733843757	AKTGWKZTUHWSEQ-INIZCTEOSA-N	421.419	5.107	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c1	733845215	POLKOHMHTSROJO-IBGZPJMESA-N	424.501	5.036	30	20	HKED	
COc1cc(C(=O)/C=C/c2nccn2Cc2ccccc2)ccc1SC(F)F	734096039	VVYBJDGQVKZHTD-CSKARUKUSA-N	400.450	5.151	30	20	HKED	
C#CCOc1ccccc1CNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl	734159639	STLHVVXJQVBMLZ-UHFFFAOYSA-N	407.945	5.260	30	20	HKED	
CCCCCCCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1	734780239	PIGUENWVAQDOAM-UHFFFAOYSA-N	409.317	5.335	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	734994814	WRJZCHBWZWKWQG-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
O=C(c1ccccc1SC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	735263343	UBCPNLPUVLRGLF-UHFFFAOYSA-N	411.289	5.255	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c(Cl)c1	740823358	SMIQCSPTEVHYSG-QGZVFWFLSA-N	420.296	5.335	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(OC(F)F)c(Cl)c2)cnn1-c1ccc(C#N)cc1	741852042	IHIDFFKXMUPXIH-YWEYNIOJSA-N	413.811	5.203	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1	752109874	HRRMLKQEMRPXDC-ZCYQVOJMSA-N	420.553	5.002	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)c2ccccc2OCC#N)c2cccc(Cl)c2)cc1	752860825	BBCSYACJCTYIQB-HSZRJFAPSA-N	420.896	5.160	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cnc(-c2ccccn2)s1	753144987	SQOQWCKIQSUTNG-KTKRTIGZSA-N	407.495	5.672	30	20	HKED	
CN(CCc1nc(-c2cn(CCC#N)c3ccccc23)cs1)C(=O)OC(C)(C)C	755379843	KSGSMLXMIHHFIL-UHFFFAOYSA-N	410.543	5.088	30	20	HKED	
COc1ccc(/C=C(/C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1F	755611944	VHJDYBOEKLUMCK-JOHMGYAOSA-N	400.862	5.377	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc(SC(C)(C)C)cc2)no1	762348807	RVPBVJGHMFLCHN-UHFFFAOYSA-N	409.559	5.139	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc(Br)ncc1F	762419722	BWWOOTYFZUUYCJ-ALCCZGGFSA-N	417.190	5.048	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)nc1-c1ccccc1	763560804	OXYOGSLHTUDEAA-YADHBBJMSA-N	401.510	5.207	30	20	HKED	
N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c(Cl)c([N+](=O)[O-])c1	764302690	TVQCFWPPYMMQGG-VXGBXAGGSA-N	410.644	5.169	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNCc1cnc2ccccc2c1	764788470	KXOAYXZBNYVVAD-UHFFFAOYSA-N	403.917	5.321	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)c1	764827154	BLUKDMBIAHRDHE-GOSISDBHSA-N	404.432	5.137	30	20	HKED	
N#Cc1ccc(CN[C@H]2CCCc3nc(-c4ccccc4Br)sc32)cc1	765014529	LLXYGWRHTBAURL-SFHVURJKSA-N	424.367	5.611	30	20	HKED	
N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc2ccccc2s1	769774878	WUMTUIHERWCGSD-OZYJXZHSSA-N	406.816	5.772	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1ccc(SC(F)F)cc1	774130054	IZAVCKYLWLEZGO-FLIBITNWSA-N	416.898	5.344	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc(F)c2F)cs1	776268411	NMNGZQZXXWLQLA-JXMROGBWSA-N	402.397	5.141	30	20	HKED	
N#CCOc1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1	778454372	ITFLXZNXXQQTSW-QGZVFWFLSA-N	413.237	5.135	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2cc3ccccc3o2)C(C)(C)C)ccc1OC	779412024	IZWABPBWIVVLBE-NTKDMRAZSA-N	406.526	5.999	30	20	HKED	
CCOC1CC(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	789349414	XOZSHAJBRDEPMC-ABIUDSBCSA-N	409.338	5.498	30	20	HKED	
N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1	792115156	SPVYDGUJBYPFJC-AWEZNQCLSA-N	412.276	5.166	30	20	HKED	
CC1(C)C/C(=C\c2nccn2CC(F)(F)F)C(=O)c2cc(Br)ccc21	794968374	BXYTWQLDMPNWMU-YRNVUSSQSA-N	413.237	5.156	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](C)C[C@H]2c2ccccc2)c1=S	795747540	VUDBCTSSTKBZIO-RXVVDRJESA-N	420.582	5.316	30	20	HKED	
N#CC[C@H](CC(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1	795982881	ITNZCZATVCXRFN-CQSZACIVSA-N	416.264	5.174	30	20	HKED	
CC(C)c1ccc(S(=O)(=O)c2ccc(NN=C3CCC34CCOCC4)cc2)cc1	799869865	NMUGUCAWZXTBEJ-UHFFFAOYSA-N	412.555	5.001	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1c[nH]c2ccc(Br)cc12	811697412	KOMJPCKOYOPGBP-FNORWQNLSA-N	410.296	5.345	30	20	HKED	
CCc1cccc(CC)c1NC(=S)Nc1ccc(Oc2ccnc(C#N)c2)cc1	811707823	JVABUNDIORKIRI-UHFFFAOYSA-N	402.523	5.679	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)s1	813212362	ASVUWOVVQWPDHJ-GFCCVEGCSA-N	407.442	5.013	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cc(C(F)(F)F)ccn1	813217539	MKVCVCRURABHJT-FNVMNULWSA-N	418.724	5.662	30	20	HKED	
CC(F)(F)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	814576606	FLOKWDHLVQWUSO-JOCHJYFZSA-N	405.448	5.775	30	20	HKED	
Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)sc2ccc(C#N)cc12	815796791	MENWNSKKZHKELK-UHFFFAOYSA-N	402.475	5.223	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1Cl	916057452	QTFRJZXGWTVPHC-LJQANCHMSA-N	414.848	5.354	30	20	HKED	
O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc(Cl)cc1Cl	916137524	CXXWSUIBLXAFON-VMPITWQZSA-N	413.304	5.274	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916650349	HATFEGDFXPNLKW-OAHLLOKOSA-N	417.317	5.681	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)nc3C)CCC2)cc1	1789456368	RYEMQBYQOXTENB-FQEVSTJZSA-N	421.516	5.045	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1	1791590012	LVASPXIGSUOJJV-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	1797877238	WBYYPHBSXWDULB-JIKXHTODSA-N	414.634	5.224	30	20	HKED	
CC(C)c1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1cccnc1	5407944	LORZDPSFJRJDTJ-UHFFFAOYSA-N	411.534	5.617	30	20	HKED	
COc1cc(/C=C2\CC/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O	16405858	JBSOJGWKBZHWCW-ACFHMISVSA-N	421.276	5.252	30	20	HKED	
C[C@H]1CN(Cc2csc(/N=C(\O)c3sccc3-c3ccccc3)n2)C[C@H](C)O1	22297035	AIUAPHITLDPSDX-GJZGRUSLSA-N	413.568	5.117	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nnc(-c2ccc(C)cc2)o1	32786722	IXMFEKHDKJNCDF-QGZVFWFLSA-N	417.538	5.267	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1	56469768	NBEGHXQNJNKEJU-UHFFFAOYSA-N	411.461	5.260	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2ccccc2c1C=O	97553770	LRMPEBVGAGUPKO-INIZCTEOSA-N	404.491	5.064	30	20	HKED	
CC(C)CCOC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1	195708778	ZLYNHHORPYSCTE-UHFFFAOYSA-N	407.514	5.410	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccs2)ccc1OCC(=O)Nc1ccccc1	211717221	BLPGSBQXTOPTEZ-BENRWUELSA-N	407.491	5.060	30	20	HKED	
COc1ccc(CN[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1OCCCC#N	237299292	DCGNLKSQCJMPMS-KRWDZBQOSA-N	421.566	5.661	30	20	HKED	
COc1ccc(CN[C@H](C)c2sc(-c3ccccc3)nc2C)cc1OCCCC#N	237350062	DCGNLKSQCJMPMS-QGZVFWFLSA-N	421.566	5.661	30	20	HKED	
Cc1csc(C2(NCc3cccc(OCc4ccccc4C#N)c3)CCCC2)n1	237939944	CQHYHBOFAMHWNF-UHFFFAOYSA-N	403.551	5.461	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1	301481822	WWWPGECZCBCEDE-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCOc1cccc(F)c1	303160205	HORDQHKSPBYVFK-UHFFFAOYSA-N	418.468	5.383	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3Cl)s2)cc1	303756804	BSQSRMXKHSOJPQ-CVEARBPZSA-N	411.889	5.140	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccccc1	427124908	XIPZTJACGFIJCZ-QHCPKHFHSA-N	405.542	5.783	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1	430053434	LXYLPSHYAZFRNS-UHFFFAOYSA-N	411.870	5.053	30	20	HKED	
N#CCC1(CN[C@@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)CC1	430741605	MOJVKFDONMLXFH-OAHLLOKOSA-N	402.361	5.233	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	433810068	YABSTUYQJSYNMW-UHFFFAOYSA-N	421.444	5.685	30	20	HKED	
CC(C)[C@@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	434614709	JGRAXJCMSVJTKK-HXOBKFHXSA-N	413.562	5.345	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	436369352	QFPJMAIDCIBWCY-RTWAWAEBSA-N	421.953	5.304	30	20	HKED	
CCCN(C(=O)c1ccc(C#N)cc1C)[C@@H](c1cccnc1)c1ccc(F)cc1F	438975960	GPOFMGKIYACYEY-QHCPKHFHSA-N	405.448	5.182	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccccc2SCc2occc2C(=O)O)c1	439987251	FLWWACSYTNKRSF-UHFFFAOYSA-N	409.463	5.087	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2ncnc3sc(C)cc23)c1	447329202	IDCYKMCNNJEGKI-MRXNPFEDSA-N	410.568	5.044	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)c1sc(CC)nc1C	460793497	LRRGMWDLLHQNGL-INIZCTEOSA-N	411.575	5.055	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc2ccccc2n1C	461281226	HVKRPLGPNUCUFZ-UHFFFAOYSA-N	416.868	5.167	30	20	HKED	
N#Cc1cccc(-c2nnc(COc3ccc(Cl)cc3Cc3ccccc3)o2)c1	462561414	UTUBKULRVCUOCQ-UHFFFAOYSA-N	401.853	5.431	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)cc1	462601054	HVXVCSKHSGTBBI-UHFFFAOYSA-N	423.394	5.162	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F	463953547	WKUDQGHRNQFBGG-JTQLQIEISA-N	400.372	5.488	30	20	HKED	
O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	464626055	LFQHLVGOMMGHMB-UHFFFAOYSA-N	403.656	5.908	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	468168933	NFFKYPIRNZHXBQ-IBGZPJMESA-N	420.513	5.040	30	20	HKED	
COc1ccc(Nc2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1	468980709	KPTRUPREYQGVEJ-CQSZACIVSA-N	424.551	5.399	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3cccc4ccccc34)ccc21	469957731	XLFHPGQNUHICFQ-ZEQRLZLVSA-N	423.516	5.165	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1	471168281	HGQZKWXFMRHXAC-UHFFFAOYSA-N	415.584	5.023	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(CSC(C)C)c3C)C2)n1	471412608	SGAYLYAUBQGXKZ-HXUWFJFHSA-N	422.598	5.067	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c(C)noc2-c2ccccc2)cc1	472013847	SDQMNCGQVNASNQ-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(F)c1	473582392	IXTFYKYTYJIILB-UHFFFAOYSA-N	412.408	5.040	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCCc2cccnc21	475976486	YMTVMPNAYOCRAT-JOCHJYFZSA-N	415.493	5.055	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	477545632	WQTUMZRPDDCFOW-BEFAXECRSA-N	421.488	5.766	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)s1	477858807	MSIGAOLBBROLOD-GFCCVEGCSA-N	411.552	5.125	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1	480404616	OGEZPRDZBXRWDP-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl	480420033	OEFOPHUUETZRAR-CYBMUJFWSA-N	409.338	5.429	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)cc1	481657078	JZLYEWGPMNYBKN-INIZCTEOSA-N	403.507	5.601	30	20	HKED	
C[C@@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)C(=O)Nc1cccc(C#N)c1	481701033	YKJMYCVRKZOTJY-GFCCVEGCSA-N	416.428	5.140	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](CCC#N)c1ccccc1	482561293	KTQGYFZWMAIBAQ-OAQYLSRUSA-N	409.331	5.078	30	20	HKED	
CCc1cc(C)cc(CC)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	483416303	KHDIXAUQKPVTTJ-UHFFFAOYSA-N	409.505	5.206	30	20	HKED	
CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Br)cn1	483494390	JWVGULFZFHWDDL-UHFFFAOYSA-N	422.282	5.175	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc3sc(N4CCCC4)nc3s2)n1	483706211	BPCMJAIRAIXXOK-NSHDSACASA-N	402.570	5.028	30	20	HKED	
N#Cc1cc(NC[C@@H]2CCC(F)(F)C2)cc(NC[C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-]	485410573	QNSHCGYOLSQUJE-CHWSQXEVSA-N	414.403	5.161	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1	485560998	JVVIYRNTWKSODW-SANMLTNESA-N	419.484	5.052	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)cc1	488391166	WPIHGTDMJPUINK-NZQKXSOJSA-N	417.553	5.219	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2F)nc1	490240793	IKUROZZAZSFRGU-PZJWPPBQSA-N	416.456	5.317	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(CCC#N)Cc1ccco1	490397016	JBXGNRKOWRTUND-UHFFFAOYSA-N	409.489	5.288	30	20	HKED	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	497388096	QKWWNLMYBYDUFS-UGKGYDQZSA-N	408.567	5.174	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(OCc2ccccc2)cc1	505332902	YSCLPBHZMMDTRN-ZJOUEHCJSA-N	416.443	5.315	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505817944	LMVSWJZGBGALPO-ZYHUDNBSSA-N	416.337	5.352	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1	508298009	HSGLZJASOSUQRP-LJQANCHMSA-N	419.506	5.790	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)c(C)c1	512980585	JBAQDSAQRGUCOU-QGZVFWFLSA-N	416.531	5.436	30	20	HKED	
N#C[C@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(C(F)(F)F)cn1	513211178	VVVGZABBIOCWDH-NSHDSACASA-N	415.223	6.112	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(Br)cc1	515291001	QYALQUURERNLCX-LBPRGKRZSA-N	413.768	5.623	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)c2)c1	515446824	FITORNQBHQTCMH-UHFFFAOYSA-N	415.880	5.134	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(OCC(F)(F)F)c1	520179103	NQNFBEFPILNSNB-UHFFFAOYSA-N	419.447	5.498	30	20	HKED	
N#Cc1ccc(CNc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c(F)c1	521099517	YIKZQDDMLUCITL-UHFFFAOYSA-N	405.860	5.052	30	20	HKED	
N#C[C@H](C(=O)c1csc(Cc2ccccc2F)n1)c1nc(-c2ccccc2)cs1	522813317	VRDBJQCRSCROAE-MRXNPFEDSA-N	419.506	5.487	30	20	HKED	
C=CCN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nc(-c2ccccc2)cs1	523510364	DDEIFLMPMDOFLL-UHFFFAOYSA-N	407.926	5.707	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](c3ccccc3)C2)c1	523946140	VBZAXQVFTOLGNH-IBGZPJMESA-N	402.881	5.634	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCSc4c(F)cccc43)c2)cc1	524491100	UNWBIOORSRFFEB-QFIPXVFZSA-N	418.493	5.243	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)c2)n1	531352925	FTERPGLRXLARCK-QGZVFWFLSA-N	417.412	5.012	30	20	HKED	
COc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1-c1ccccn1	534383279	QCDQSAGAEHEBHA-UHFFFAOYSA-N	409.445	5.069	30	20	HKED	
CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	539457573	DILKNLINOHVLCF-UHFFFAOYSA-N	415.493	5.156	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccc(F)cc1	541075103	PBBBQMYGPTUWGV-ZDUSSCGKSA-N	421.419	5.144	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1C1CCCC1	541353552	DASWCMPXQHUJBV-HNNXBMFYSA-N	411.456	5.186	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(S(C)(=O)=O)cc1	543033479	CEXFRKCUTIMJRQ-MSOLQXFVSA-N	404.535	5.041	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	561161800	JRSFGKPPVSOBOG-KBPBESRZSA-N	422.381	5.534	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nccn3-c3ccccc3)o2)cc1	572169652	DGGOKOOCXOYUGM-INIZCTEOSA-N	404.495	5.340	30	20	HKED	
Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)cc1	572992703	BVRRKIMRMNPDIV-OAQYLSRUSA-N	414.505	5.134	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC4(CCC4)[C@H]3C3CC3)cc2F)c1	579043237	IOLYZVNHPIRYDH-JOCHJYFZSA-N	405.473	5.073	30	20	HKED	
COC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1	589505306	XOHZTCFJYREMEA-KRWDZBQOSA-N	402.338	5.073	30	20	HKED	
CC(=O)c1ccc(Cl)c(Cl)c1OCc1c(C#N)c(C)nn1-c1ccccc1	589854001	YVWCPRZLVJGTSZ-UHFFFAOYSA-N	400.265	5.141	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccoc2)n1)c1nc2cc(C(F)(F)F)ccc2s1	595127410	PEOBSFJKBHFWIE-LLVKDONJSA-N	419.409	5.522	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C	603618808	QDLQQVAUFPEPAW-UHFFFAOYSA-N	407.514	5.104	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)cn2)cc1	603690157	XJWKQGQBRYQGSN-QFIPXVFZSA-N	413.481	5.290	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)C(F)(F)F)cn2)c1	603822015	CSZPILIAZBPASN-IBGZPJMESA-N	412.371	5.171	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	604387902	IKFFNPNGYULHJM-KOSHJBKYSA-N	416.496	5.575	30	20	HKED	
Cc1cccc2c1CC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	609213264	SGKGBWBXZCXQAM-VWLOTQADSA-N	413.496	5.405	30	20	HKED	
C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	609386989	CCQIKMAQEHQGDA-ZNMIVQPWSA-N	413.509	5.016	30	20	HKED	
Cc1ccccc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	609387086	KJJSVWVXNUZSPU-AWEZNQCLSA-N	407.461	5.459	30	20	HKED	
COc1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(C)C)[C@@H](C)C2CC2)cc1	609422552	ZKDVEGMOTOSOQG-KRWDZBQOSA-N	407.514	5.187	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](n3ccnc3)C2)cc1Cl	609554056	RGPWDSGGJCMEKN-TZIWHRDSSA-N	419.916	5.061	30	20	HKED	
CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	610171940	YNZTVPMBMYRPRG-UHFFFAOYSA-N	417.534	5.201	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1	610186309	BHFXKPGBCKFBNZ-JBYIUTFZSA-N	400.478	5.137	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@H](C)c1ccccc1C(F)(F)F	611237671	AUNRUPFJZOBOSR-QWRGUYRKSA-N	415.242	5.806	30	20	HKED	
CC(C)(C#N)CCCC[S@@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	618129632	VSZRQSHMKXJDON-AREMUKBSSA-N	408.394	6.552	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccc21	618180100	MVIZNFXQYFUQTM-UHFFFAOYSA-N	421.460	5.256	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3F)nc2)c(Cl)c1	618882711	OGNDUOGVUWMAIQ-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	620576313	HMQAYEDAJDYVQC-OAHLLOKOSA-N	420.431	5.186	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cnn(-c2ccccn2)c1C)c1ccc(C(F)(F)F)cc1	676730598	IYTFCMIVZHBMRW-LJQANCHMSA-N	414.431	5.032	30	20	HKED	
Fc1cc(-c2ccncc2)ccc1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678206607	RWOLKFSLQYRAFC-HZPDHXFCSA-N	406.345	5.450	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c1	726468784	HOFSTWLQMKHAJJ-HNNXBMFYSA-N	411.958	5.145	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c1ccccc1Cl	727627629	OGGWOMKXMGUCIC-LMRWQKIVSA-N	417.292	5.061	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc1	728345089	ATYRSBDDKKLBPA-HXUWFJFHSA-N	423.925	5.047	30	20	HKED	
Cc1ccc(S[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)c2ccccc2)c(C)c1	730071362	KZEPBWHYSFKTEW-DVECYGJZSA-N	412.514	6.155	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H]3CCCc4ccccc43)n2)cc1	731137351	GFVGVENUKLCSGX-RXVVDRJESA-N	402.519	5.505	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	731223529	DYBMLWFLOLDJQZ-UHFFFAOYSA-N	411.505	5.328	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccoc1COc1ccc(C=O)cc1	731639288	SMHOIMWIINEVEF-MRXNPFEDSA-N	420.490	5.175	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc(-c2ccncc2)cs1	734081794	RRXVYIFMGCELDU-GEPASTNRSA-N	415.518	5.416	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccnc2SCC2CCCCC2)c1	734327134	RWZNUEMUBNOVPW-HXUWFJFHSA-N	423.582	5.365	30	20	HKED	
CCN(CC)C(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccccc1	734849924	PSHVEXPYRXATKE-RUZDIDTESA-N	413.521	5.159	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	739156183	LMTINSSJFZEFAS-IUODEOHRSA-N	421.369	5.505	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)c3ccncc3)c2)s1	740058849	DHVPWVUOWFNXFT-XMMPIXPASA-N	424.529	5.271	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccncc1	740480812	HPFAMYPBVYFLBW-HXOBKFHXSA-N	405.929	6.080	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1	740534942	JOAMIFQOPQJDCI-JLTOFOAXSA-N	407.901	5.225	30	20	HKED	
N#C[C@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Cl	744029265	RQTKPBPTYCJBQC-LEWJYISDSA-N	416.908	5.404	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1	745063340	IRJKDVAUTKVQCL-PXLXIMEGSA-N	402.494	5.514	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(F)cc1)C(=O)c1ccccc1	747149867	KUYYNGFIQIAXRZ-QJOMJCCJSA-N	401.481	5.856	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccccc3Cl)n2)cc1	747638234	XMMVUOOIKHFHOA-HXUWFJFHSA-N	412.880	5.433	30	20	HKED	
C[C@H](OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(C#N)cc1	748679993	MXMNVPOYZZIICJ-ZDUSSCGKSA-N	410.882	5.443	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccs2)cc(Br)c1OC(F)F	750900661	PDHLETAWLOFBCL-AATRIKPKSA-N	403.244	5.407	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1	753327353	UJKUPLWLUZXGAT-HNNXBMFYSA-N	421.349	5.293	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	756230283	DMAVGRVILJJUEZ-AWEZNQCLSA-N	423.271	5.814	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@@H](c2ccsc2)O1	760007423	KIMMRRFXXSRICS-VSDWSMLSSA-N	417.534	5.397	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(-c2ccoc2)c1	760967142	ZCKRUFIHQJPKIB-GOSISDBHSA-N	412.417	5.222	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1C	761243486	DDBDTFGEMKQLNE-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
CC(C)(C)[C@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1cccs1	762810539	AMBHPXJQIDRUPI-LJQANCHMSA-N	423.003	5.441	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2[nH]ccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	765915804	MSVIPUVJHSNVKD-ZSQCLPQSSA-N	411.408	5.686	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc2cc(Cl)ccc2s1	766846717	RAZITPRWQGBEQI-SDDRHHMPSA-N	406.816	5.347	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[C@H](C)c1ccc(C#N)cc1	769435057	KBZYOVDRWJHUBH-QGZVFWFLSA-N	419.525	5.032	30	20	HKED	
CCN(c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1)C(C)C	770098697	GPKIYYMMMLSMIJ-QGZVFWFLSA-N	418.324	5.189	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)ccc1OC	772986615	PEVGMVTVECISHF-RDTXWAMCSA-N	405.325	5.460	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cn(C)c2ccccc12	773982654	KUSNKMPIIFBIMH-KDOFPFPSSA-N	419.937	5.935	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	780161609	HBQODVGPVCLBKF-GFCCVEGCSA-N	419.428	5.177	30	20	HKED	
FC(F)Sc1ccc(C=Nn2c(S)nnc2SCc2ccccc2)cc1	781585702	PRSKNSYTVLIJSN-UHFFFAOYSA-N	408.524	5.056	30	20	HKED	
CC[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	781775128	ALXLUKFOXOSVAP-XPKDYRNWSA-N	423.365	5.888	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782205346	OPRZAXJVVGTCBZ-INIZCTEOSA-N	414.534	5.231	30	20	HKED	
N#C[C@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1	783357557	UGIOGLPCQCQWQV-QKFMDRJYSA-N	421.246	5.400	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1	789460712	VEQXACFYAQIUDP-UHFFFAOYSA-N	415.578	5.450	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@H](C#N)c1nccc2ccccc12	790800660	RMVPSDBTGWGQLQ-FQEVSTJZSA-N	415.493	5.391	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCOc3c(C)cc(Cl)cc3C2=O)cn1	792884978	GQXTWSKYEHDPHD-YBEGLDIGSA-N	406.869	5.163	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1sc2ccc(C#N)cc2c1C	796624384	MGHXRVMZCKRGBK-UHFFFAOYSA-N	406.507	5.309	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1coc2cc(F)ccc12	796631790	IUROSBRYKPQMTJ-SFHVURJKSA-N	414.392	5.325	30	20	HKED	
Cc1cn2c(/C=C\C(=O)c3ccc(OC(F)F)cc3OC(F)F)c(C)nc2s1	797028867	SRCDDHRTGLMVCL-WAYWQWQTSA-N	414.380	5.112	30	20	HKED	
C=CC[C@@H](CC)NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1	798554815	VGSKDJJGLYNVEN-GOSISDBHSA-N	402.604	5.092	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Oc2ccncc2)cc1	800843675	HWNRTBQOGZQSPB-XMMPIXPASA-N	405.457	5.782	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccccc1O[C@H](C)C#N	806400081	BZVDZMXQZLLVHS-LSDHHAIUSA-N	405.420	5.091	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	808816952	ZGWZJSACASXXIO-HLAWJBBLSA-N	415.459	5.927	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1)c1ccccc1	812894826	SWWSMPQPOXHIFQ-JWQCQUIFSA-N	422.569	5.248	30	20	HKED	
Cc1c(C(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)sc2ccc(C#N)cc12	858020481	PGVHXSFDYRFADS-LJQANCHMSA-N	417.534	5.037	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915350256	ONHBQAHMWJNMSV-YADHBBJMSA-N	401.535	5.945	30	20	HKED	
FC(F)(F)c1cccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1	916260388	YRGCYSITXGQTRW-UHFFFAOYSA-N	421.426	5.458	30	20	HKED	
CC(C)c1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	916916986	CZUURKAEXXQHPE-NRFANRHFSA-N	402.519	5.403	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cn4cccn4)o3)cc2Cl)cc1	917876151	FXLOCGKCHVQHSR-UHFFFAOYSA-N	418.840	5.094	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3cccc(C(F)(F)F)c3)cs2)cc1	920063041	UMRFKCWRTHSQTB-YHYXMXQVSA-N	419.424	5.646	30	20	HKED	
CCO[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	920324725	SYDDFOQUQYZNCG-KSSFIOAISA-N	404.413	5.269	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2)CC1	1830020465	JJHHGMDDHQSLKE-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
C[C@H](Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C(=O)Nc1ccccc1C#N	28623160	NBAVQLBRSZDJKN-INIZCTEOSA-N	421.447	5.190	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CCC[C@H](C(F)(F)F)C1	46534163	BIWJBBREVNMICW-STQMWFEESA-N	415.349	5.411	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2ccccc2C#N)cs1	52888473	VAASGLKXMMRORW-UHFFFAOYSA-N	417.412	5.297	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	55891619	LWOAALPFCWPTIP-UHFFFAOYSA-N	410.901	5.151	30	20	HKED	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	303228799	XCABBWGNUFEQBF-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1	303349494	DUWNHDPBZIDDHB-KRWDZBQOSA-N	416.333	5.349	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@@H](C#N)c1nccc2ccccc12	430604183	PLVZBUMWEPEXDW-INIZCTEOSA-N	422.271	5.995	30	20	HKED	
CCC(CC)n1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1	432643010	NEZHKEQFKINQCK-UHFFFAOYSA-N	402.498	5.142	30	20	HKED	
N#CC(CCN1CCC(c2ncc3n2CCCC3)CC1)(c1ccccc1)c1ccccc1	434669308	HYYNNFGTBDKHDQ-UHFFFAOYSA-N	424.592	5.299	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)C1CCC(C(F)(F)F)CC1	435569241	XFQNKAYJWHRWAX-UHFFFAOYSA-N	415.349	5.411	30	20	HKED	
CC(C)(CO)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccs1	436502495	JPLYECBOIBFUCI-OAQYLSRUSA-N	421.522	5.293	30	20	HKED	
COc1ccc2ccccc2c1CN(C(=O)Nc1ccc(CC#N)cc1)C1CCCC1	437616848	WXOVFLRAWLLKIP-UHFFFAOYSA-N	413.521	5.891	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)cc1	438224053	JAKFRVNGVORNMO-LOSJGSFVSA-N	422.488	5.654	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1	438431584	KFFOGIMOAPCPCG-XUTJKUGGSA-N	413.443	5.221	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(COCCc2ccccc2)c1)c1ccccc1	439361767	UBXSVNZFPKXYFC-VWLOTQADSA-N	413.521	5.612	30	20	HKED	
C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(C(F)(F)F)cc1	443639624	GUYDCWFSVAHKOD-HNNXBMFYSA-N	401.432	5.055	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c2ccccc21	444280412	JDKVBSUQQJBKAG-UHFFFAOYSA-N	405.929	5.618	30	20	HKED	
C=CC[C@@H]1N(c2nnc([C@@H]3OCC[C@@H]3C)n2Cc2cccs2)CCCC1(C)C	461485935	HQYGBIJICJKVGK-YTQUADARSA-N	400.592	5.057	30	20	HKED	
CN(C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463652776	KUCNGHBGUUVLBZ-LJWDBELGSA-N	418.328	5.331	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)NCc3cc(C#N)ccc3F)oc2c1	464038666	BNTLUJJLNYTJLA-UHFFFAOYSA-N	400.409	5.049	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(C2CCCCC2)no1	464713072	QIDZOPMYZRGXMN-INIZCTEOSA-N	400.482	5.147	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F	464829599	MJPPOVXGYDKLLZ-LPHOPBHVSA-N	421.850	5.069	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccccc1CCC(F)(F)F	465270045	XYWXVEFYGSKZGN-CQSZACIVSA-N	407.461	6.077	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cc(Cl)c(Cl)cc2F)c1-c1ccccc1	466573774	FECGGBOFPQRNJL-UHFFFAOYSA-N	403.244	5.162	30	20	HKED	
Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)CSc2ccc(C#N)cc2)c1	466607888	CBOSHAYEBBGQEC-UHFFFAOYSA-N	407.926	5.241	30	20	HKED	
Cc1nc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)sc1C	466966128	FWYXEIFOMWNMMN-GOSISDBHSA-N	410.930	5.391	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1	467337555	VYNADZXWWQOIKI-KXBFYZLASA-N	415.946	5.340	30	20	HKED	
Cc1nc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)oc1-c1ccc(Cl)cc1	473665705	WPEWDRGFQXAQRU-UHFFFAOYSA-N	408.889	5.426	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	474737301	NEGRCTZLYKFMIQ-SJORKVTESA-N	419.912	5.663	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1	475551896	ZHXSGWHZKLWRMR-RBBKRZOGSA-N	400.469	5.468	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cc(Br)ccc1N1CCCC1)c1ccccc1	476356173	ZKWKFSJMHKNHMQ-QGZVFWFLSA-N	412.331	5.075	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	479554892	NJKYJMLVOLXQJX-UHFFFAOYSA-N	413.502	5.644	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)o1	480546201	AOOWBTNRPWQKEN-HLIPFELVSA-N	411.571	6.099	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc2)cc1	483191257	DXNBCNBYKIBLQB-NRFANRHFSA-N	407.429	5.115	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	483489646	GNSJKNWNXLJIEG-OAHLLOKOSA-N	406.392	5.193	30	20	HKED	
CCOc1cc(Cl)ccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	483845199	HIONNOKWPKIGED-UHFFFAOYSA-N	407.857	5.358	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)Nc3ncccc3OCCCC#N)c2C(C)C)cc1	484757761	YKSFVGLBFHYQFU-UHFFFAOYSA-N	418.501	5.026	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N	488786319	OVSUXTXGDDVGDA-GFCCVEGCSA-N	407.461	5.216	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1Cl	494199647	XMZJPIGPEZOVLI-TZIWHRDSSA-N	423.944	5.609	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1	495047310	OJVDRCXWEAFWHI-NMWQFNBWSA-N	408.517	5.145	30	20	HKED	
Cc1ccc(-c2nc(CNC3CCC(Oc4ccccc4C#N)CC3)cs2)cc1	500903921	ZWNMFMBMDMQPFP-UHFFFAOYSA-N	403.551	5.470	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(OC(F)F)c3)c2)cc1	501450114	LVJBTCBGPHPCCP-UHFFFAOYSA-N	408.404	5.185	30	20	HKED	
COc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1	502227661	BKKORCJOWAOGQP-LJQANCHMSA-N	421.884	5.657	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cs2)cc1	503964474	YYIWYIIVEXYNMD-UHFFFAOYSA-N	413.546	5.103	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1cccc(Cl)c1Cl	505330659	LPFQQHQAACNWDN-HNNXBMFYSA-N	401.215	5.483	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505817941	LMVSWJZGBGALPO-CMPLNLGQSA-N	416.337	5.352	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cs2)cc1	505939229	URDBHQYFOGQLOG-SFHVURJKSA-N	415.440	5.061	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	509922227	AVXFQLJDXGOZKS-PZJWPPBQSA-N	415.459	5.301	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	510378936	QIQXIPBEJFLYCG-UHFFFAOYSA-N	418.202	5.099	30	20	HKED	
CCN(Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	517530122	NXFYRLAWOUHCSO-GOSISDBHSA-N	403.551	6.288	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)N1CCc2ccccc2C1	517530578	XPROIQGHPDTYOM-WIYYLYMNSA-N	422.598	5.039	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	518493522	LLDLFINYZXHCRS-QFIPXVFZSA-N	408.473	5.328	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc2cc(Cl)ccc2s1	520440683	PKMHCFQYSWRGSY-GFCCVEGCSA-N	413.886	5.702	30	20	HKED	
N#C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(Cl)c(Cl)c1	521016197	PNSORGCXHJPISP-FQEVSTJZSA-N	411.288	5.420	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1	521841133	UFZWWDUVGMFDND-AWEZNQCLSA-N	405.420	5.589	30	20	HKED	
Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1Br	523228491	GRNJDFBRFGBNTL-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3sccc3C#N)n(-c3cccc(C)c3)n2)cc1	523307222	WUFNTFOJLDTCLG-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
Cc1ccc(NC(=O)C2CC2)cc1NCc1cccc(OCc2ccccc2C#N)c1	533212448	GZGBTDFKSCVZJE-UHFFFAOYSA-N	411.505	5.406	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	534455226	KXKQJGGSCUJVPL-OAHLLOKOSA-N	423.504	5.348	30	20	HKED	
C=C[C@H](CC(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)c1ccccc1	535500992	QUTUZPRLRLZEGY-LJQANCHMSA-N	406.526	5.010	30	20	HKED	
COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)ccc1OCc1ccccc1	537404818	LWOCEIXEKMDWOF-ZWKOTPCHSA-N	404.485	5.697	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2cccc(C#N)c2F)n1Cc1ccco1	538146710	MIFHTYVYWIPGTN-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	543008651	ASXKRPKCAQTMEI-NTKDMRAZSA-N	417.553	5.467	30	20	HKED	
Cc1sc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	543504472	DHRZZRJBQBBGMV-KBPBESRZSA-N	424.957	5.321	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl	544303240	WNERGGJNSKKPHM-CYBMUJFWSA-N	422.312	5.115	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F	554193629	CGXOCMZBVLEFIQ-UHFFFAOYSA-N	424.467	5.324	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCC(=O)c4ccccc43)c2)cc1	555815526	QELFQOARCYOEEV-DEOSSOPVSA-N	410.473	5.030	30	20	HKED	
N#Cc1cccc(CNCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1	556057873	XVVHDUBSPWMRDK-UHFFFAOYSA-N	404.473	5.447	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc(OC)c1C(C)C	562189912	OYEDSHGRASMKTC-UHFFFAOYSA-N	417.465	5.138	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc(-c2ccc(COCC(F)(F)F)cc2)no1	571324248	XWEHANCFJVRAQK-UHFFFAOYSA-N	420.387	5.056	30	20	HKED	
N#Cc1ccccc1Sc1ccc(-c2nc(-c3cc(O)nc4ccccc34)no2)cc1	589153465	UJDJTFXNPRUTST-UHFFFAOYSA-N	422.469	5.680	30	20	HKED	
CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ncccc2C#N)cc1	603976378	NDGPKJIVFUUAAI-MRXNPFEDSA-N	407.495	5.060	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1[N+](=O)[O-]	604026999	SODYESGYPURMNS-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	604572186	VNOUCVNEKORWPI-UHFFFAOYSA-N	414.509	5.230	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)s2)c(C)c1	605363262	RBPGREAPXXYGFW-QGZVFWFLSA-N	400.507	5.410	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1	608805286	TWUNMHRWWHCXDH-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)N[C@H](C)C(=O)Nc3ccccc3C#N)cc2)c1	609041181	DYPORWFKJWRWTK-WOJBJXKFSA-N	413.521	5.124	30	20	HKED	
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609079413	BMIBCBGEYILHGF-INIZCTEOSA-N	420.900	5.411	30	20	HKED	
N#CCn1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc2ccccc21	609167402	SWBPIHSNUJRZDE-NRFANRHFSA-N	405.910	5.399	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1	609182267	FFKWOOMTKZQPTC-HSZRJFAPSA-N	412.917	5.037	30	20	HKED	
Cc1ccc(N(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C2CCCCC2)nc1	609375588	BZVFWBPWZLPAGH-UHFFFAOYSA-N	408.571	5.040	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1	609382998	ZVPDETZJVBQSAR-CYBMUJFWSA-N	413.955	5.968	30	20	HKED	
CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609578784	LOMBPNNNMAJVLD-HSZRJFAPSA-N	400.482	5.607	30	20	HKED	
C=CCN(C(=O)c1ccc(C#N)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	609641390	WSMLJHCUELNTFZ-UHFFFAOYSA-N	415.305	5.216	30	20	HKED	
Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	610015902	USOPWQFHAAYACZ-SFHVURJKSA-N	400.482	5.149	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cn2)cc1	610629538	MDACFHFYATVDBB-XZOQPEGZSA-N	423.476	5.049	30	20	HKED	
C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@H](C)c1ccccc1C(F)(F)F	611237672	AUNRUPFJZOBOSR-WDEREUQCSA-N	415.242	5.806	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1F	611358088	DYEKHUGKPGFVJM-QZTJIDSGSA-N	423.488	5.160	30	20	HKED	
CCCCN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H](C)c1ccc(C)o1	611600474	GYKJGBGIQPFAHH-MRXNPFEDSA-N	409.465	5.180	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccncc2)nc2scc(-c3ccccc3)c2c1=O	619950051	BSJUPLZCVQOHEA-HNNXBMFYSA-N	405.548	5.559	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642395799	DQPUQFJBDKEROQ-RNFRBKRXSA-N	408.264	5.135	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1	642501764	NYULBYAKYOPTJM-WOJBJXKFSA-N	405.542	5.025	30	20	HKED	
Fc1ccc([C@@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc2)nc1	680336362	GAQRDZLDWWPINB-MMNPAVHPSA-N	420.372	5.809	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1nc2ccccc2n1C(F)F	683220714	GHEZYBHUHFUGNK-SECBINFHSA-N	415.268	5.218	30	20	HKED	
CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCC1	727144610	QLHDKHVHCBTUMH-UHFFFAOYSA-N	421.497	5.127	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(OCc3cccnc3)c2)c1	728182556	XPQDMIPLSYYFJD-UHFFFAOYSA-N	408.457	5.082	30	20	HKED	
CCC(CC)CN(CCC#N)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12	729471556	NYGANPSJMUONBO-UHFFFAOYSA-N	418.537	5.626	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(OC(F)(F)F)cc1	731197171	PQAUVWCNQXRCAT-MRXNPFEDSA-N	424.469	5.058	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC(F)F)cc2)ccc1OC	733615778	WJGMUPJEHCEDBJ-OAHLLOKOSA-N	421.469	5.013	30	20	HKED	
C#CC[C@H](OC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1ccccn1	733693160	VHEDPIGOVBFBIT-QFIPXVFZSA-N	409.445	5.028	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1	733807012	PTSHZNXKEPWLQZ-UKILVPOCSA-N	413.521	5.151	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)Sc1ccc(Br)cc1)c1ccc(C#N)cc1	735998197	NQJBVZYMNNVLPJ-CYBMUJFWSA-N	403.345	5.069	30	20	HKED	
Cc1ccc(-c2nc(CNCc3cccc(-c4ccc(C#N)s4)c3)cs2)cc1	740014484	QBDXBQKJEPFFCL-UHFFFAOYSA-N	401.560	6.009	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1F)C(=O)N1c2ccccc2Sc2ccccc21	741859850	LIJYPSXQJMAAED-AWEZNQCLSA-N	406.507	6.007	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	743447585	PVCQICORQJHBRM-SHQCLWGWSA-N	404.388	5.734	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)CCc2ccc(C#N)cc2)cc1	744284552	RQCJZCSSIOXBPW-UHFFFAOYSA-N	418.880	5.026	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1	746174484	SMOOCZRNVCSEQW-UHFFFAOYSA-N	408.914	5.150	30	20	HKED	
N#CC1CCN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)CC1	747221873	GXPMFXGZHOSHSD-UHFFFAOYSA-N	417.512	5.945	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1	748010104	OYZWVBHBGOJGEH-LBPRGKRZSA-N	413.289	5.279	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1-c1ccccc1	749911208	LCGLZITXDXDBEY-RUZDIDTESA-N	419.484	5.670	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)s1	750441692	ABUZCSPAGGMWPP-GOSISDBHSA-N	420.534	5.216	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(OC)cc1	752476913	FXJWVMGFMOKZKS-HTAPYJJXSA-N	400.478	5.080	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccnc(O)c1	752875444	GWIWNUHFZPLARC-ZHACJKMWSA-N	407.429	5.282	30	20	HKED	
N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1	754528167	OCPHIUVRSOGBOV-INIZCTEOSA-N	411.288	5.771	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c1	754531349	KMJCLCUSXNDOLO-MRXNPFEDSA-N	417.292	5.002	30	20	HKED	
C#CC[C@H](NCc1cc(Br)c(OC)c(Br)c1)c1ccccc1	756998043	QKWYISFWCAQBJR-KRWDZBQOSA-N	423.148	5.074	30	20	HKED	
CC(C)(C)Oc1cccc(CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)n1	758508972	AXLCFDIBALRHBD-OAHLLOKOSA-N	413.930	5.331	30	20	HKED	
N#C[C@H](C(=O)CCn1ccc2cc(Cl)ccc21)c1nc(-c2ccncc2)cs1	759267297	ILUSGLJKZADNPN-QGZVFWFLSA-N	406.898	5.080	30	20	HKED	
COc1ccccc1-c1ccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)cc1	764436204	QWNYJBLQWQJCCF-SDNWHVSQSA-N	417.480	5.234	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1	772627675	WHBKBPHSBVCIJQ-CBNMVNINSA-N	415.578	5.171	30	20	HKED	
CC(C)(C)OCc1cc(COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)no1	775187743	XKKRLBUXSWVKDJ-UHFFFAOYSA-N	420.465	5.205	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1	776517383	QRWYENBCEMNADG-GOSISDBHSA-N	402.450	5.040	30	20	HKED	
N#CC1(c2ccc(COC(=O)c3csc(-c4ccc(Cl)s4)n3)cc2)CC1	777143247	AURYYXMLDQXZFJ-UHFFFAOYSA-N	400.912	5.437	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	780167955	ZHVIGULLNDPRCP-HNNXBMFYSA-N	401.397	5.033	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1	780303351	WAUYZCNKDNXLTR-IBGZPJMESA-N	400.459	5.344	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	780671785	UZTHABPUXPDRSS-ZHRRBRCNSA-N	405.885	5.542	30	20	HKED	
CN(C(=O)Cc1ccccc1CC#N)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783531577	JJKBGSQUOZJBLK-GOSISDBHSA-N	414.349	5.076	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	787039750	IDXDIPUZGVFFAU-ZWKOTPCHSA-N	423.925	5.053	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)cc2Cl)cs1	788360986	QXWMHIYXEGEVAW-UXBLZVDNSA-N	421.909	5.557	30	20	HKED	
CCc1cccc(Cl)c1C=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	788715734	QQFGHPBVPUFOMQ-UHFFFAOYSA-N	405.811	5.219	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(Cc3ccccc3Br)CC2)s1	797217394	BTPDJLZWRMEJJO-CQSZACIVSA-N	417.372	5.402	30	20	HKED	
CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cn1	797787877	FJWZCMOVIWJCNG-RIYZIHGNSA-N	424.504	5.058	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc(F)c(C(F)(F)F)cc3F)n2)c1	804496392	XBBUSZSCYAEHQI-UHFFFAOYSA-N	409.339	5.231	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(C(F)(F)F)c1	808386304	ZGGOBZVHJISPHT-UHFFFAOYSA-N	419.350	5.377	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccc(Cl)cc1	810186610	VTQIQDYXRJJEJQ-OAQYLSRUSA-N	414.958	5.248	30	20	HKED	
O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)c1cccc(C(F)(F)F)c1F	816065880	ORFWHGIZXHAFAF-CYBMUJFWSA-N	407.241	5.446	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	914516717	BSBBWQGTSRBJFR-UHFFFAOYSA-N	407.514	5.204	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OC(F)F)c1	915359425	SVZBGFXZUMIUOC-OPAMFIHVSA-N	421.447	5.826	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)sc2C)cc1	916908780	IMAKIMJVUOOAGU-QGZVFWFLSA-N	424.909	5.347	30	20	HKED	
N#C[C@H](C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12	916916466	TXULQYRPXNTPOO-LJQANCHMSA-N	408.910	5.074	30	20	HKED	
CC(C)c1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928591	OHGCMNBLRKUNHJ-QGZVFWFLSA-N	403.309	5.397	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2c(s1)-c1ccccc1CC2	916936204	DDBRBCIKIIIFMT-MRXNPFEDSA-N	424.884	5.267	30	20	HKED	
C[C@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C1	916941930	CHHVLVULGLYEGQ-ZUZCIYMTSA-N	407.322	5.141	30	20	HKED	
Fc1ccccc1-c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)o1	917029809	AYSQZDHMTBKUCA-UHFFFAOYSA-N	412.877	5.505	30	20	HKED	
FC(F)(F)c1ccc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc1Cl	918735248	GJTJJFMOQJZDAV-KNVOCYPGSA-N	400.672	5.321	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C1CC1	920086804	LCZKGSQUAFKPCX-QRWLVFNGSA-N	416.912	5.103	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncccc4c3)CCC2)cc1	1791247800	HXYJDNDUZIEJHT-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1	1791250504	RWCDOHNBSOECNP-INIZCTEOSA-N	419.500	5.267	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1	1791587692	GCUPXFUFZWMXTQ-LEWJYISDSA-N	408.929	5.154	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccccc1	11158645	MUTFIKNHVMNWCU-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
Cc1nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2cc(-c3ccccc3)sc2n1	21170234	VFNPVRVPYQGFFJ-FPTDNZKUSA-N	424.595	5.202	30	20	HKED	
N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccco3)n2C2CCCCC2)c1	26352688	PEKKULVDJDBAGY-UHFFFAOYSA-N	421.526	5.036	30	20	HKED	
C=CCn1c(SCC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)nnc1C1CC1	27128609	VAFTXWFBEIVGHX-NRFANRHFSA-N	412.603	5.071	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CSCC#N	41793133	IFBOFKNZHBNISV-WMLDXEAASA-N	409.942	5.113	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	55823575	BRVKRBJGMBCKTH-UHFFFAOYSA-N	418.468	5.267	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1OCCOCC	63397802	MLEFWQWJRUNPDL-UHFFFAOYSA-N	415.921	5.071	30	20	HKED	
C=CCn1c(S[C@H]2CCCc3ccccc32)nnc1[C@H]1COc2ccccc2O1	117204710	PXCMICCYHQLPBS-RTWAWAEBSA-N	405.523	5.146	30	20	HKED	
CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1	143587328	FTMHQEMOAGCHDC-UHFFFAOYSA-N	400.265	5.116	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)[C@H](Sc2ccccc2F)c2ccccc2)nc2ccccc21	303256736	ADONARTWSXHFCE-GAJHUEQPSA-N	415.493	5.422	30	20	HKED	
N#Cc1cn(CCOC(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2c1=O	426601331	SYOHAYQSJXEANC-UHFFFAOYSA-N	414.892	5.333	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(CCC#N)CCC(C)C	429100638	PXZGQAPJGANCPZ-UHFFFAOYSA-N	407.518	5.433	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(COc3ccccc3C#N)c2)s1	430630861	ZGOKUNPIKXRWBJ-IBGZPJMESA-N	415.518	5.381	30	20	HKED	
CCCNC(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl	432920845	WNSUNFSATDOUTN-HXUWFJFHSA-N	412.921	5.036	30	20	HKED	
N#CCCC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1	433022698	WZVHJQBGRVGNCA-NRFANRHFSA-N	420.582	5.242	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)cc2F)c1	434143873	JPJPRVKAXDJMLP-INIZCTEOSA-N	421.394	5.083	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CC[C@@H](CC(F)(F)F)C1	434183676	OQALBGKLJYHWCL-CABZTGNLSA-N	422.291	5.293	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)Nc1ccccc1SCC#N	434747244	PWFKHVCZNXWXDH-ZDUSSCGKSA-N	408.354	5.241	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1cc(C#N)oc1C	435452661	POJIGFPPWFQDPS-UHFFFAOYSA-N	416.456	5.757	30	20	HKED	
CCN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1	438857908	NVKZSQCJNSTCSR-UZLBHIALSA-N	403.448	5.843	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccccc1	439359652	OZQMVQZRICTSFH-HSZRJFAPSA-N	424.504	5.056	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCCc3ccc4[nH]ccc4c3)c2)cc1	440940833	ZCJNDIASIOBCNB-UHFFFAOYSA-N	424.504	5.177	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)c1ccc(C(F)(F)F)cc1	441536841	BPAQVGLXTUNQOL-HBFSDRIKSA-N	410.480	5.171	30	20	HKED	
C[C@@H](Sc1nnc(S[C@H](C)c2cccc(C#N)c2)s1)c1cccc(C#N)c1	442909774	UIAAPUPAUQKXAR-ZIAGYGMSSA-N	408.577	5.988	30	20	HKED	
Cc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c(C)c1O	443573894	YGAJXRMVZKDZMK-UHFFFAOYSA-N	415.493	5.607	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cn(C)nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1	446259276	VDPADKKBNQKQDZ-ZDUSSCGKSA-N	420.357	5.287	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)n1C	448360839	DPHQBOFEFLWTCH-UHFFFAOYSA-N	424.464	5.099	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	462009831	DNDMIZFBYLLVQO-ZDUSSCGKSA-N	405.857	5.687	30	20	HKED	
CCOc1ccc(-n2c(SCCC(C)(C)C#N)nnc2-c2ccc(OC)cc2)cc1	463044371	OEXBIIIBUWBXPB-UHFFFAOYSA-N	422.554	5.374	30	20	HKED	
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1sc(-c2ccccc2)cc1C#N	463466747	OYEYBJSDGNSFLZ-UHFFFAOYSA-N	424.835	5.103	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	465075279	ULDVLWTWMLXISV-HXUWFJFHSA-N	414.505	5.375	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c(C)c2)n1	470895360	VKFOCCZEDNAJNQ-SFHVURJKSA-N	418.547	5.104	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c(Cl)c1	474671439	HKIJQMYIZANGLI-FQEVSTJZSA-N	423.879	5.500	30	20	HKED	
Cc1c(NC(=O)C[C@@H](CC#N)c2ccccc2)cccc1-c1nnc2n1CCCCC2	474898709	YCLSAUMHJXQDFJ-HXUWFJFHSA-N	413.525	5.006	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	475570705	CSKHZBBOLQNSPU-HRAATJIYSA-N	421.541	5.531	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1nc2c(s1)CCCC2	475616202	DZTBAIZAPBGOFC-AWEZNQCLSA-N	400.573	5.080	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1cccc(Br)c1	476117125	GCAMKCXKXRHAOR-OAHLLOKOSA-N	402.332	5.707	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1	476659100	KSSSLQZXIHXTAZ-CRAIPNDOSA-N	412.358	5.095	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c2c1	483199845	TWOIMEZZJNRHGB-HSZRJFAPSA-N	414.468	5.644	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	489021566	YUWHGAXRBAGPKY-RNAHPLFWSA-N	417.574	5.824	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1	498780703	HQJBWPFIWFZLAJ-UHFFFAOYSA-N	409.338	5.548	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc12	499968244	KSIPGBVDLNTGCN-GOSISDBHSA-N	424.888	5.183	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cccc(Cl)c2Cl)c1C#N	501747006	GSIXPCZZUILYIY-UHFFFAOYSA-N	403.294	5.025	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1	502371442	DNXMEZIMYQLFMP-UHFFFAOYSA-N	422.485	5.070	30	20	HKED	
C=CCN(C(=O)Cc1nc(-c2ccco2)oc1C)c1nc(-c2ccccc2)cs1	503251611	OAFYJGWBQBEXLY-UHFFFAOYSA-N	405.479	5.128	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c(Br)s1	505965755	KTJZGLJKCLXMQW-LBPRGKRZSA-N	404.116	5.121	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(n4cc(Cl)cn4)CC3)cc2)c1	506641792	HXHXNTLKZRAZTD-UHFFFAOYSA-N	421.888	5.069	30	20	HKED	
CC[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(OC)cc1	507542468	CJIVRDIXZCHDMY-SFHVURJKSA-N	404.432	5.042	30	20	HKED	
CCCOc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1Cl	509265795	WKLSAIVYPXYOJG-UHFFFAOYSA-N	413.905	5.076	30	20	HKED	
N#C[C@@H](C(=O)c1cc2sc3ccccc3c2s1)c1ccc(C(F)(F)F)cn1	513167016	UFSALUYSPKXNAE-GFCCVEGCSA-N	402.422	6.020	30	20	HKED	
CSc1ccc(-c2nsc(NC(=O)N[C@@H](CCC#N)c3ccccc3)n2)cc1	516216646	MEAZTIGGGDNEJW-KRWDZBQOSA-N	409.540	5.094	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC1CCCC1	519515334	CQKYQAUJZYLEQC-INIZCTEOSA-N	410.539	5.663	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C	520168130	OOYYNUOWKPJNOV-UHFFFAOYSA-N	416.447	5.178	30	20	HKED	
COc1ccccc1CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC1	520324068	ALGLUAUSUFFWHX-UHFFFAOYSA-N	412.489	5.358	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[nH]c2c1C(=O)CCC2	521475089	PSYKVQRBROVWJL-GOSISDBHSA-N	417.896	5.403	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccoc2)n1)c1nc(-c2c(F)cccc2F)cs1	521764632	BMLXALSIAKBDPD-LLVKDONJSA-N	413.430	5.295	30	20	HKED	
N#C[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)c1ccc(Cl)c(Cl)c1	521886134	LVMMYSWNALNLKU-MRXNPFEDSA-N	402.306	5.035	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2occc2COc2cccc(C#N)c2)C1	523091863	ANHPRULMUYJTFR-WIYYLYMNSA-N	400.478	5.057	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2scnc2-c2ccccc2)c1	524125808	JVOXJCNODDHOSE-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3CCC(F)(F)F)n2)cc1	533956452	KBMTYPHACBBZGP-GOSISDBHSA-N	414.452	6.104	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C1CC1	534966398	REMDSULMZPNLQV-GFCCVEGCSA-N	421.423	5.188	30	20	HKED	
C=CCC[C@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1	536841921	XPVCNGRNYRNRMM-FQEVSTJZSA-N	410.524	5.730	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2cccc(OCc3ccccn3)c2)cc1	538001438	BKXQJFBGGUXZRB-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
COc1cc(CN[C@H](C)c2cccc(F)c2F)ccc1OCc1cccc(C#N)c1	539328744	KGLQMXGVBCWSOE-MRXNPFEDSA-N	408.448	5.275	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(F)c(F)c1	540224109	PTYVSEMHGBREPA-JOCHJYFZSA-N	423.419	5.138	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N(C)C2(C#N)CCC2)c2nc3ccccc3s2)c1	541967289	SNHDHDHBUMXKKR-QGOAFFKASA-N	417.534	5.140	30	20	HKED	
CCc1nc([C@@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cs1	542572835	DPKIDVJAIBFBFZ-MRXNPFEDSA-N	407.539	5.016	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OC(C)(C)C)CC1	549639047	GGFKXQGPINFQLJ-UHFFFAOYSA-N	419.573	5.162	30	20	HKED	
N#Cc1cc(NC(=O)c2ncoc2C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1	551527697	VPVTYVJTFNSDLV-UHFFFAOYSA-N	413.355	5.487	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	553404153	QFGJNWKJCGTVDL-HRAATJIYSA-N	409.555	5.488	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2cccc(F)c2C#N)cs1	555523377	MREXFTORXRCEMX-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Br)cc1C(F)(F)F	556611811	XKCDWTAMTHUPIG-GFCCVEGCSA-N	409.249	5.679	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	558650022	DABVCTZMMCHSBZ-YKSBVNFPSA-N	418.585	5.559	30	20	HKED	
C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc2ccccc2c1	560765440	SYMKTRKTHBMDLJ-KRWDZBQOSA-N	402.469	5.024	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC=C(c3ccccn3)C2)cc1	573649350	ZVUQBZVQVNFLRY-UHFFFAOYSA-N	411.530	5.175	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](c2ccco2)C1	589365300	DYLXWKPRFCXVMD-KKSFZXQISA-N	402.454	5.344	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc2nc(C(F)F)[nH]c2c1	592381099	ULVMEOLPVLPTGU-UHFFFAOYSA-N	405.273	5.407	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1	604846920	ZBJLUELJYGUXBJ-UHFFFAOYSA-N	423.881	5.232	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1coc(-c2ccccc2)n1	606187507	YHTWJXSSPYAYHU-UHFFFAOYSA-N	415.262	5.072	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1C#N	609032640	XSJPBRVQSPOXDO-UHFFFAOYSA-N	413.593	5.800	30	20	HKED	
CCOC(=O)c1sc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(C#N)c1C	609052460	BTVMBNIMXFZWCS-ZDUSSCGKSA-N	422.506	5.009	30	20	HKED	
CN(Cc1c(Cl)cccc1Cl)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056214	FDWATJCARJTJJV-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
CN(C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1ccc(C#N)cc1F	609216307	GYFALBUYKOFCKG-UHFFFAOYSA-N	422.891	5.082	30	20	HKED	
CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(CC#N)cc1	609494445	WSHSKPIZQSVUGD-UHFFFAOYSA-N	419.504	5.159	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccc(C#N)cc1	609682516	LALBFXCBXKAWME-HNNXBMFYSA-N	418.884	5.347	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1	610313493	FOMBBYHUXJYSEB-UHFFFAOYSA-N	407.445	5.177	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1	611094448	KOHHPORKVJUBSB-AREMUKBSSA-N	409.338	5.165	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cc(F)ccc2F)nnc1[C@@H]1COc2ccccc2O1	615341811	HYHWGZNVDUHZHT-DJJJIMSYSA-N	415.465	5.108	30	20	HKED	
CN(Cc1ccccc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CCCCC1	618743479	TUDMGDUECQOJII-XMMPIXPASA-N	402.542	5.132	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCCc2ccccc2)cc1	619568738	ZITIWOKJUOGVER-UHFFFAOYSA-N	400.547	5.603	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1C(C)(C)C	620304565	NWAPJACWBHSOLO-GFCCVEGCSA-N	414.481	5.092	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)o2)cc1	642071597	YQBFOZJNUNFSMS-UHFFFAOYSA-N	400.478	5.319	30	20	HKED	
Fc1ccc([C@@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccnc2)cc1	680337282	SWYLOFKTIGASNO-MXSMSXNCSA-N	420.372	5.809	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1Cl	726475575	QSUZVWYHPKJAIX-OAHLLOKOSA-N	422.337	5.232	30	20	HKED	
CC(C)(C)c1nc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1	726858345	IRPZODYITJOKHE-HNNXBMFYSA-N	415.971	5.636	30	20	HKED	
CCCCCCn1nc(C(=O)Nc2sc(C)c(CC)c2C#N)c2ccccc2c1=O	727790910	ZCDCJUFIULXGAC-UHFFFAOYSA-N	422.554	5.033	30	20	HKED	
COc1cc2nc(C)sc2cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	728275049	WWTQUOBXPGYPDF-UHFFFAOYSA-N	416.506	5.145	30	20	HKED	
Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)c(C)n1-c1cccc(C(C)C)c1	728871245	LKVGIWINXASNOZ-UHFFFAOYSA-N	400.526	5.169	30	20	HKED	
O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1ccc(N2CCC(O)CC2)cc1	730085932	WGYFUZGMETWRAW-ZROIWOOFSA-N	413.517	5.123	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)cc1	732934628	HEUUJPMVEUXVTC-OAQYLSRUSA-N	416.912	5.243	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)ccc1OC	733643065	DREATHABRQSGOO-SFTDATJTSA-N	423.557	5.353	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C2/CCOc3c(Cl)cccc3C2=O)cc1	733749417	WFQMNHGEUVTTTP-QINSGFPZSA-N	424.836	5.259	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1)c1ccncc1	734654531	AJLHSEDCXHHXET-FYYLOGMGSA-N	405.567	5.973	30	20	HKED	
C=CCN(C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)C(C)C	735173537	HNEYBMUBUOJOJB-UHFFFAOYSA-N	407.301	5.069	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=S)Nc3ccc(C#N)c(Cl)c3)ccc2C)c1	741870013	KWNLTDRVBDGGCU-UHFFFAOYSA-N	408.914	5.825	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1	742593372	OVDPPZYRFUTSQN-SIKLNZKXSA-N	421.541	5.144	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	743092881	GABYXHRXHAFMKL-IZZNHLLZSA-N	409.533	6.410	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	744035802	RQULTRBGFPKFAP-XKOZXHHJSA-N	420.843	6.248	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)s1	750684218	NPQBNQWKDLAMIA-GOEBONIOSA-N	424.909	5.645	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1	752183167	CKYPMICUJKBSNI-PKTZIBPZSA-N	401.897	5.974	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2cccc2)nc1)c1nc(-c2ccc(Cl)cc2)cs1	753394846	NBKKPHQDKSEWOA-KRWDZBQOSA-N	404.882	5.139	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)c3cccc(OC)c3)n2)cc1	753395684	KKPXHTDWWJTGIL-FOIQADDNSA-N	406.507	5.197	30	20	HKED	
COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1cc2c(s1)SCC(=O)N2	758025954	OJAVWAHEWPRQNP-IHWYPQMZSA-N	400.308	5.004	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1	760182778	HSCJDXZINSFQCD-YWZLYKJASA-N	424.928	5.021	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccc(C)cc2)c1=S	764877967	PMGKEEZYWPZVHA-OAQYLSRUSA-N	405.571	5.155	30	20	HKED	
Cc1ccccc1-c1nn(CN2CCC(C#N)CC2)c(=S)n1-c1ccc(Cl)cc1	764949767	WEJKLRGIMNRIQZ-UHFFFAOYSA-N	423.973	5.225	30	20	HKED	
CCCCCn1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)n1	767845511	BJFGVTKMUQAGAJ-DEOSSOPVSA-N	415.541	5.359	30	20	HKED	
C[C@H](Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1ccc(OCC#N)cc1	779078105	RLEMMMJLLSAWTL-OXJNMPFZSA-N	400.906	5.363	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	784259553	OQYBOROXAPAGRU-UHFFFAOYSA-N	421.444	5.045	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)n1	786372897	XJACRJBCQAJUFG-HXUWFJFHSA-N	405.548	5.033	30	20	HKED	
CN(Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(OCc2ccccc2)cc1	789747382	HCMKNCBMUPSVRH-UHFFFAOYSA-N	423.520	5.074	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cc(Br)c(Cl)s2)cc1NC(C)=O	790216332	RDNNGDLUPORTLQ-SNAWJCMRSA-N	414.708	5.027	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1ccc(C#N)c(F)c1	791445866	CDQCXCMVRJPOEU-UHFFFAOYSA-N	404.319	5.037	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2c[nH]c3cc(Br)ccc23)s1	797570108	CQYNCEZYFJGFNW-CQSZACIVSA-N	416.344	5.103	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797570884	LIGNSQSGROJZQF-CYBMUJFWSA-N	423.401	5.480	30	20	HKED	
CN(C)C(=O)Sc1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1Cl	805431896	GBYFNSYLCXMFLY-UHFFFAOYSA-N	419.909	5.041	30	20	HKED	
COc1ccc([C@H](NCC(C)(C)CCC#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1	806175838	GFZVWWMGHSPMNH-SFTDATJTSA-N	415.578	5.055	30	20	HKED	
O=C(Nc1cccc(/C=C2\Cc3c(O)cccc3C2=O)c1)c1ccc(Cl)cc1Cl	810250905	SGZYLJQRJBYNTK-NTEUORMPSA-N	424.283	5.774	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H](C)c3ccc(F)c(Br)c3)[nH]c12	813070610	UWXQAPSZAGQZJM-TZMCWYRMSA-N	414.278	5.143	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813213587	NZQMTHMCFNYRGL-TZIWHRDSSA-N	408.423	5.693	30	20	HKED	
Cc1cc(Br)cc(NCc2ccc(C#N)s2)c1NC(=O)OC(C)(C)C	816602966	UCKNSMSTUKLVOM-UHFFFAOYSA-N	422.348	5.650	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1	915086952	YPUYTVJTCJLDFR-DEOSSOPVSA-N	424.525	6.480	30	20	HKED	
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915351816	GXYNTQFFBXSVCM-QFIPXVFZSA-N	413.477	5.125	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1=S	919941695	MENGVLHIWPXIML-GOSISDBHSA-N	400.523	5.334	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1	1788877130	PRIOUBCESWIJCD-UHFFFAOYSA-N	412.917	5.449	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)C[C@@H]4C)cc3)CCC2)c1	1790425218	DQJICGDDCAIMQX-FUMQJTLXSA-N	415.537	5.107	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3O)cc2)CCC1	1790931132	NOEZIKUMRAPDTH-MRXNPFEDSA-N	418.493	5.098	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1	1822104249	HJRNQVSAEQQQOQ-XCJLJZCSSA-N	414.594	5.076	30	20	HKED	
Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)c1	10167500	FTTBPVNVCLBREU-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)n1	18535872	JZZHKAQXHQBBQX-NSHDSACASA-N	413.852	5.362	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2ccc(Cl)cc2)cs1	41514838	YYVDOOJZUVRMPX-MRXNPFEDSA-N	410.882	5.115	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1[N+](=O)[O-]	41549044	RAGHYEJGNSTVGE-GFCCVEGCSA-N	405.357	5.022	30	20	HKED	
Cc1nc(-c2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)o2)cs1	47698743	XETAXYNUGGQGBA-UHFFFAOYSA-N	415.518	5.452	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc2ccccc2n1	48857333	PQCISIYZPATQFM-OAQYLSRUSA-N	409.420	5.116	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c12	56212865	QWEBNSIILQOUAW-UHFFFAOYSA-N	412.449	5.109	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1	58414662	YWONCKXMSWPGEC-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccccc2)c1	58436879	ZXIPONHQLRCJOK-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(C2SCCCS2)cc1	62903701	SGSWJQVCHVSWIH-UHFFFAOYSA-N	424.591	5.021	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccccc1Br	62905855	OBEFOCKZYVXFGR-UHFFFAOYSA-N	415.356	5.018	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1	195557058	MLPWYTBXWPFEQE-QGZVFWFLSA-N	403.894	5.810	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1	211776533	VAWGQCZZKPNFIT-SEYXRHQNSA-N	418.880	5.447	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	303495736	LLZKULAXPAFTJF-YADHBBJMSA-N	418.443	5.466	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1	304066059	SUEQJVWPHNJKFT-UHFFFAOYSA-N	411.933	5.768	30	20	HKED	
CCSc1nccnc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	430417990	NFOWKZAMQBSTHR-KRWDZBQOSA-N	408.914	5.150	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1ccncn1	430521279	RGFRWRNWTKCURK-LLVKDONJSA-N	401.253	5.052	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2	431348749	GEIQVTPJLGDRFQ-QFIPXVFZSA-N	412.489	5.009	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Br)cc1	431931150	NAOPIFRLGVWKIL-LLVKDONJSA-N	409.230	5.054	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1	434014191	FIXAQWJZCYWNES-AWEZNQCLSA-N	404.495	5.261	30	20	HKED	
COc1ccc(C#N)cc1CN[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1	434888659	RUWUFEUNYLLABQ-QHCPKHFHSA-N	410.489	5.446	30	20	HKED	
C[C@@H](Nc1ccc2nc(C3CC3)sc2c1)C(=O)N(CCC#N)c1ccc(F)cc1	439575354	VTIBTBBZWPLFDJ-CQSZACIVSA-N	408.502	5.060	30	20	HKED	
CC1(C)CCC(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	441945704	LUIVIKQQHDZCLC-HXUWFJFHSA-N	423.944	5.019	30	20	HKED	
COc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1C(F)(F)F	448081685	CDQZCTQQHSNMQQ-WMZOPIPTSA-N	403.404	5.018	30	20	HKED	
CCc1c(NC(=O)[C@H](C)c2cccc(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1	462333645	QLKYXXCQYSEXQW-CQSZACIVSA-N	412.415	5.067	30	20	HKED	
C=CCOc1cccc(CNc2ccc(CCn3cc(Br)cn3)cc2)c1	462765619	PEKHOPQDJJDOGW-UHFFFAOYSA-N	412.331	5.065	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2ccc(F)c(F)c2)nnc1-c1cccnc1	463264581	ZKBSMELEFURMRY-NRFANRHFSA-N	420.488	5.686	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(C3CC3)on2)ccc1Oc1ccc(C(F)(F)F)cc1	464279624	CDRRESKPSDNZSG-UHFFFAOYSA-N	413.355	5.487	30	20	HKED	
C=C(C)C[C@H](C)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	464448340	VQUGFQGRTXFSJV-ZDUSSCGKSA-N	404.869	5.281	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)cc1	464738089	XQVSCRYLSYPQBH-UHFFFAOYSA-N	402.416	5.464	30	20	HKED	
COc1cc(OC)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1F	464747280	NQKMEJGAVQPFLP-UHFFFAOYSA-N	406.413	5.068	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC[C@@H](Cc4csc5ccccc45)C3)o2)c1	466957072	XLCZBZXLJSFBSJ-SFHVURJKSA-N	414.534	5.278	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCOc4cc(Cl)ccc43)ccc21	469035872	POESJGGSXGHMMN-FQEVSTJZSA-N	409.917	5.249	30	20	HKED	
Cc1ccccc1-c1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n(C)n1	470205715	FJPUSPKHFSHPDX-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)Cc1csc(-c2cccc(Br)c2)n1	471165921	RZQDIZOYJKIPBP-UHFFFAOYSA-N	420.376	5.046	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(CSC)c3)n2)cc1	473939190	HSGUVCALLYFIDW-KRWDZBQOSA-N	412.511	5.311	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cnc3ccccc3c2)cc1	475258516	HBIHZZGEUOMKGV-UHFFFAOYSA-N	407.473	5.061	30	20	HKED	
CC(C)CN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CCCc2cccnc21	475974858	IBDARUALRYAFIS-HSZRJFAPSA-N	405.542	5.065	30	20	HKED	
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	477981177	FHWBFQOBLSTGEI-UHFFFAOYSA-N	412.424	5.441	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1	480970299	YEUNUYOKBKQCRJ-CYBMUJFWSA-N	408.433	5.072	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)cc1	481657080	JZLYEWGPMNYBKN-MRXNPFEDSA-N	403.507	5.601	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1cnc2ccccc2n1	483202548	TZSALKDETNJCLI-CQSZACIVSA-N	407.351	5.399	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@H](CCCC#N)c1ccccc1	487236312	BLVKHXZUSLCQIQ-HXUWFJFHSA-N	424.342	5.333	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)N[C@@H](CCCC#N)c3ccccc3)cs2)cc1	487347558	XQWJXPFJPZGDJV-QFIPXVFZSA-N	419.550	5.303	30	20	HKED	
CC(=O)N(c1nc(COc2cc(Cl)cc(C#N)c2)cs1)c1cccc(C)c1C	487349706	BXZNSSSOLYYFHQ-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)CC3	491976999	JHTLOGLLJFLSMD-SJORKVTESA-N	418.566	5.407	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	494163152	IBQSBCPVGIAQPX-VKAVYKQESA-N	421.456	5.447	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	499441822	HAUKMLXKODJVLI-MRXNPFEDSA-N	412.114	5.070	30	20	HKED	
CCCC[C@@](C)(NCCCC1(C#N)CCOCC1)c1cccc(Br)c1	499772208	LGXORXSSDVUDAS-HXUWFJFHSA-N	407.396	5.545	30	20	HKED	
C=CCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC)cc(OC)c1OC	502319005	GYPNGYZZHBIWTK-UHFFFAOYSA-N	409.404	5.102	30	20	HKED	
CC(C)NC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	503391082	UXPOYWYRFLHNFP-GOSISDBHSA-N	423.925	5.092	30	20	HKED	
N#C[C@H](NC(=O)c1occc1COc1ccccc1)c1ccc(Cl)c(Cl)c1	505911778	GDJGDSCGOXZISO-SFHVURJKSA-N	401.249	5.160	30	20	HKED	
COc1ccc([C@H]2C[C@H](NC(=O)c3ccccc3-c3ccccc3C#N)C2)cc1F	506318116	PLLWEJARGNNIEB-WGSAOQKQSA-N	400.453	5.049	30	20	HKED	
O=C(Nc1cccc(CC(F)(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510031599	XBIQOIGEPLNVSZ-HNNXBMFYSA-N	408.317	5.746	30	20	HKED	
O=C(Nc1cccc(CCC(F)(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510066880	VXRPUEGLDUMXAA-INIZCTEOSA-N	422.344	6.136	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1F	510551031	HPWXECAINNJINT-CQSZACIVSA-N	405.281	6.055	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCOc1ccccc1	510900165	CSETZIKUIHWLEZ-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)c(F)c3)n2)cc1	511764360	DYXHLFDGGQUOJP-GOSISDBHSA-N	412.449	5.102	30	20	HKED	
CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCSc2ccc(Br)cc21	513130000	PFLLFDKJUVUSBH-MRXNPFEDSA-N	424.408	5.347	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c1	513253469	AGLNVKYCRRBJLF-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1	513495948	XJNQJVGZASTEIO-WXVAWEFUSA-N	412.533	5.395	30	20	HKED	
Cc1cc(C)c(C#N)c(SC[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)n1	514484044	UPRRPXYHLXUZEI-XUZZJYLKSA-N	418.562	5.138	30	20	HKED	
C=CCN(C(=O)Cc1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	515327648	JZPXBIBWSJZAOO-UHFFFAOYSA-N	413.886	5.133	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C	516005807	PTYKLNJAPDJZCD-UHFFFAOYSA-N	407.857	5.404	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	517518598	NHQRZJMMLIYWDJ-ZDUSSCGKSA-N	423.519	5.185	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1	518170172	YWSOKSIPOSXKCU-ZWKOTPCHSA-N	421.566	6.690	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl	518656052	AXNJLRKSAPSEKK-CABCVRRESA-N	404.988	6.025	30	20	HKED	
COc1ccc2cc(CN(C)C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2c1	518681707	GPOQVZWRNVGGGR-KRWDZBQOSA-N	419.550	5.764	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nnc(-c2cccs2)o1	520835831	XDMIAIQTIRMPRB-NSHDSACASA-N	424.473	5.996	30	20	HKED	
CCCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cn1	521699118	CRUCUBKXFYHRMJ-UHFFFAOYSA-N	416.481	5.165	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3CC(c4cccc(F)c4)C3)c2)cc1	522216189	KMYGSKOFJCHENZ-UHFFFAOYSA-N	414.480	5.603	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)o1	523717440	ABVLKVHUNFPIDA-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCSc4c(F)cccc43)c2)cc1	524491099	UNWBIOORSRFFEB-JOCHJYFZSA-N	418.493	5.243	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1cc(Cl)c2c(c1)OCCCO2	531386735	NQUUGUCDIXKBGL-UHFFFAOYSA-N	407.857	5.172	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1Cl	534152158	CTTQERASXQIVRP-GOSISDBHSA-N	410.901	5.226	30	20	HKED	
N#Cc1cccc(-c2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)c1	535199283	BXNVLXUEKXRUSA-UHFFFAOYSA-N	407.458	5.461	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1C(F)F	535619515	CSIXAGSRFAGCDF-INIZCTEOSA-N	400.816	5.148	30	20	HKED	
CSc1ccc(C)c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	537247077	AHYFWIQMLJHUDE-UHFFFAOYSA-N	417.534	6.006	30	20	HKED	
COc1cc([C@@H](C)NCC#Cc2ccc(Cl)cc2)ccc1OCc1ccncc1	539251988	HPWYXMAALGZHTE-GOSISDBHSA-N	406.913	5.025	30	20	HKED	
O[C@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)Cc1ccccc1C(F)(F)F	540377237	LGVPDKJCAXRKJB-RDJZCZTQSA-N	409.345	5.031	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Br)cc1C(F)(F)F	540646046	WKTJKJLENXUGGU-UHFFFAOYSA-N	414.225	5.148	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC(F)F	542947668	GNLJNTJHYYKIPH-MRXNPFEDSA-N	408.448	5.686	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)Cc1nnc(C2CC2)n1C1CC1	543032823	WXMMEOOHIIDTBY-UHFFFAOYSA-N	401.489	5.016	30	20	HKED	
C=CCOc1cccnc1-c1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1	544834935	YLVCLRMCBIPRLZ-UHFFFAOYSA-N	406.829	5.204	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccccc2F)C2CCCCC2)cnc1C(F)(F)F	550743004	JFKMZCSUDLEPLY-UHFFFAOYSA-N	405.395	5.086	30	20	HKED	
Cc1csc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1C#N	554774523	OMGSJNWMEYGSDP-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
C[C@]12CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@H]1C2(F)F	557301383	PSPUWRDPTMMRRX-QUCCMNQESA-N	402.828	5.121	30	20	HKED	
N#CCC[C@@H](NC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccccc1	560102468	BTWRZMGFUPEUPX-LJQANCHMSA-N	410.930	5.308	30	20	HKED	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	561408494	QQSDQLDZHQLNSE-GOSISDBHSA-N	410.587	5.196	30	20	HKED	
C=CCC1(c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)CCC1	566644096	SSGDEZHCZZBDIM-UHFFFAOYSA-N	404.495	5.036	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(C)nc3C3CCCCC3)n2)cc1	588737763	JYHJGFWMWTZEKS-SFHVURJKSA-N	404.539	5.390	30	20	HKED	
N#Cc1ccsc1NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	604462415	GMDWGNXKPFAYQY-UHFFFAOYSA-N	424.934	6.564	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1	606875738	DZHKKSGVAXYKSJ-CQSZACIVSA-N	416.399	5.416	30	20	HKED	
CCOCCOc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ccccc1C#N	609103450	BEAUWZLSTBWHBH-UHFFFAOYSA-N	420.896	5.546	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1)c1ccccc1	609109425	MLQUQBKLKGTPHR-DFBJGRDBSA-N	410.521	5.339	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)cc3nc[nH]c23)cc1Cl	609164502	PGZXZXVAHHZORD-GOSISDBHSA-N	404.832	5.263	30	20	HKED	
CC(C)COC[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccco1	609298385	CFXIHCLSUNXNOY-OAQYLSRUSA-N	422.456	5.226	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N(C)c1ccccc1	609387229	UESQUNPAJHOJKK-AWEZNQCLSA-N	407.461	5.175	30	20	HKED	
Cc1nc(C)c(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	609399304	RNAIEMMLWAETNT-LJQANCHMSA-N	424.957	5.433	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1	609413886	CBERPBQVBBSETR-ROUUACIJSA-N	403.309	5.442	30	20	HKED	
CC(C)Cc1ccc([C@H](C)NC(=O)CNc2ccccc2S[C@H](C)CC#N)cc1	609431753	LGPIHKHIUITCLC-MOPGFXCFSA-N	409.599	5.569	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	609469709	XBIHILZPIUFRDA-LJQANCHMSA-N	422.548	5.735	30	20	HKED	
N#CC1(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)CCC1	609858750	BDZIURSHKXRSPI-UHFFFAOYSA-N	405.679	5.527	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1C(=O)NC(C)C	609989512	HFUVGLMWNXXAJN-UHFFFAOYSA-N	412.493	5.001	30	20	HKED	
Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	609995598	DCEHFIVESHPIEP-MRXNPFEDSA-N	406.576	5.582	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2ccc(-c3ccccc3)o2)c1C	610053830	QHPAJRQEYRIYHT-UHFFFAOYSA-N	410.477	5.192	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc2c(cnn2C(F)F)c1	610962906	RWDFCSRLOVEMQI-LBPRGKRZSA-N	401.442	5.470	30	20	HKED	
Cn1c(-c2ccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2)nc2ccccc21	611093956	REGOTGWVFGVJJW-UHFFFAOYSA-N	421.287	5.671	30	20	HKED	
Cc1cc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1CO	615892906	GKZNIQIGFRATHH-UHFFFAOYSA-N	402.519	5.212	30	20	HKED	
Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1c(Cl)cc(C#N)cc1Cl	618886680	RXPRUNKFOVKEIW-UHFFFAOYSA-N	411.701	5.233	30	20	HKED	
C=C[C@@H](CC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccccc1	673321052	XVMIYVJCRJXDGD-INIZCTEOSA-N	408.954	5.708	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1F	677780544	KXUOYCCGNCPKHB-YUMQZZPRSA-N	424.719	5.521	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1Cl)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	680491026	RSFOASPPNZTVPN-OCAPTIKFSA-N	410.692	5.482	30	20	HKED	
CSc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1	726626511	HUHBJKZNSNETSA-PXNMLYILSA-N	402.953	5.339	30	20	HKED	
Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727027625	QDSSGDTYMWGKCJ-DEOSSOPVSA-N	408.505	5.496	30	20	HKED	
N#CCOc1ccc(CNC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)cc1	727677482	ADZZPYMKWBAMKR-HZHRSRAPSA-N	420.871	5.238	30	20	HKED	
N#Cc1ccc(COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1	727895006	CTFUXHIAQZQFLJ-UHFFFAOYSA-N	413.408	5.135	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	729890838	QZWKCZVHVAFCHU-KYLMHTFMSA-N	400.478	5.259	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)n1	730395276	SRHXACJFFNGQNC-KUHUBIRLSA-N	417.317	5.755	30	20	HKED	
CCCN(C(=O)NCc1cccc(O[C@H](C#N)CC)c1)[C@H](C)c1cc2ccccc2o1	733806082	XDTILLXSHPQWOA-NQIIRXRSSA-N	419.525	5.797	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1cc(Cl)ccc1Br	735340676	JDMUKHWRPTWZOW-UHFFFAOYSA-N	415.070	5.015	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C	737000493	BSZKEKLHVKUCBV-UHFFFAOYSA-N	415.578	5.654	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3nccs3)c2)cc1	737316922	PPKMQXCWQGKYKV-FQEVSTJZSA-N	419.506	5.239	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)/C=C/c3ccccc3C#N)s2)cc1	739609692	DDKLFIQSRXNAMV-KAUXGEHWSA-N	401.535	5.531	30	20	HKED	
Cc1cc([C@@H](NC(=O)c2ccccc2OCC#N)c2ccccc2Cl)ccc1F	741649537	FOQUIXMYVQWQFL-JOCHJYFZSA-N	408.860	5.209	30	20	HKED	
O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(SCC(F)(F)F)cc1	741843293	OXDWYUHQZKUMGB-AATRIKPKSA-N	402.850	5.600	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2ccc(C)cc2)c1=S	742155977	UOHQPWDGLFZFNR-NRFANRHFSA-N	405.571	5.155	30	20	HKED	
C=C(Br)CNC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C	745779659	BXRRAYIJAMEBJY-UHFFFAOYSA-N	417.347	5.191	30	20	HKED	
Cc1ccc(C)c(-n2nc(C)c(C=NNc3oc(C(C)(C)C)nc3C#N)c2Cl)c1	746498474	QIMKNAYYRCYXDI-UHFFFAOYSA-N	410.909	5.054	30	20	HKED	
N#Cc1ccccc1CN(C(=S)Nc1cccc(Br)c1)C1CCCC1	747706859	RMVLVBXOIBICDT-UHFFFAOYSA-N	414.372	5.462	30	20	HKED	
CCn1cc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21	748490035	SSGIWSTUNGKGJR-MRXNPFEDSA-N	421.472	5.482	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOC2=O)cc1	748583577	GXFXOYDBHXAFNS-JXMROGBWSA-N	410.882	5.316	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1	751014885	STYYGBBEUHBFAD-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)/C=C\c1ccc2ccc(Cl)cc2n1	752039377	QRXBCUJHKJTXMA-RLALRPKNSA-N	401.897	5.200	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1OC(F)F	753220958	LDIKONMKZXMKTL-AYYGCFCKSA-N	402.466	5.582	30	20	HKED	
COCCOc1ccc(C#N)cc1N[C@H](C)c1ccc(SC(F)F)c(OC)c1	753770484	OSLMWHPHVSKAOT-CYBMUJFWSA-N	408.470	5.080	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCOCC1	756516541	UGUPTRUSBHNJSE-XHDPSFHLSA-N	409.338	5.356	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1	759910283	HGSTVIHUBYCIPN-QHCPKHFHSA-N	406.489	5.414	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Cc3cccc(OCC#N)c3)s2)cc1	760482895	DFAMTLBMOUAGDY-SFHVURJKSA-N	419.550	5.091	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1(c2ccc(Cl)cc2)CC1	764749445	FXZXVMDNUXYCFA-UHFFFAOYSA-N	410.688	5.086	30	20	HKED	
COc1ccc(F)cc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	773983539	XWSRFYYSVCECIT-MRXNPFEDSA-N	400.862	5.030	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1cccc2ccccc12	774042749	KDWNTHGODAYKMC-VGOFRKELSA-N	414.505	5.079	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1	774161694	DZZHKAGLBHCBGT-UHFFFAOYSA-N	413.543	5.445	30	20	HKED	
COc1ccc2c(c1)C(=NOCC(=O)Nc1c(C(C)C)cccc1C(C)C)CCO2	774845930	JTNDGSSWGKUIFG-UHFFFAOYSA-N	410.514	5.084	30	20	HKED	
N#CCc1ccccc1CC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl	776961193	YMPVUTCIBXGWJB-QHCPKHFHSA-N	410.851	5.133	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1N(C)Cc1ccccc1	780534937	XDPDURMOYGTMHH-GOSISDBHSA-N	400.482	5.258	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4O[C@H](C)C#N)cc3)o2)cc1	781034419	GGSCCNMFGNUTHZ-QGZVFWFLSA-N	424.460	5.255	30	20	HKED	
Cc1ccc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(Cl)c1C	783275158	VUPJHGVYJSKHKW-CYBMUJFWSA-N	416.930	5.004	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(c2ccccc2Br)CC1)c1ccncc1	784525757	QFXKZVBIQWUJIS-HXUWFJFHSA-N	414.347	5.051	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(C)nc2-n2cc(Cl)cn2)cc1	786943985	AJUMHHXVCHODIV-INIZCTEOSA-N	417.340	5.211	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1	787042814	YXCFHBDOZRXUFJ-PMACEKPBSA-N	424.591	5.145	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1)c1ccccc1	788352940	WOSXYDXIWQLCHI-OXQOHEQNSA-N	418.880	5.441	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nccc2ccccc12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	792098682	DSAWFDGVXPZNTJ-SLYNCCJLSA-N	421.541	5.084	30	20	HKED	
O=C1/C(=C\c2ccccc2OCc2ccccn2)CCc2nn(-c3ccccc3)cc21	794956781	KJCJGIPRJMBBKM-SILNSSARSA-N	407.473	5.059	30	20	HKED	
COc1c(Br)cc(Br)cc1/C=C\C(=O)c1ccc(C)o1	797186941	NHGSDWAJAYLOLA-PLNGDYQASA-N	400.066	5.018	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)s1	797570462	HCRMMQWFUZXUJQ-OAHLLOKOSA-N	422.472	5.538	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cc(C#N)ccc2Cl)c2ccccc2)c1	803833293	SDAKGCQMHCAPNC-JOCHJYFZSA-N	418.880	5.365	30	20	HKED	
C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1cccc(C#N)c1	810257879	PGRVATLNWKHROJ-IIBYNOLFSA-N	421.541	5.858	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)cc2)ccn1	813278123	ANLFDRXXOSMAQR-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1	816063200	FZKHKDYPUQNGAV-ZIAGYGMSSA-N	421.268	5.704	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H](CCCC#N)c2ccccc2)c1	817324353	ARHLMFRVCCZQKZ-OAQYLSRUSA-N	407.514	5.127	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCc1ccccc1	915993110	JMHNHLPITPSTEE-GHXNOFRVSA-N	413.473	5.055	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CSc3nc4ccccc4s3)cn2)cc1	916074349	OWRBOSYCAPURNA-UHFFFAOYSA-N	418.503	5.086	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1	916883500	RVWMIVQNFDZNEC-HNNXBMFYSA-N	416.289	5.078	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc2c(s1)-c1ccccc1CC2	916904851	FJOMOOLIHHPRDQ-INIZCTEOSA-N	406.894	5.128	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC(F)F)cc1	916905325	NAMQODAEXFKTTJ-SFHVURJKSA-N	422.387	5.041	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)Cc1ccccc1-2	916907341	LZKMIOPKOFXVIQ-DEOSSOPVSA-N	408.501	5.344	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916977309	PRFJKSZVUQMBJE-YVEFUNNKSA-N	417.317	5.761	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917042042	ANVKDJOGYANOFI-OAHLLOKOSA-N	420.481	5.982	30	20	HKED	
Cc1[nH]c2c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cccc2c1C	917044996	WOBMGIVYOLHGEH-HNNXBMFYSA-N	413.424	5.903	30	20	HKED	
CC(C)Oc1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl	917515062	CQZRTBFMZJUFIG-FQEVSTJZSA-N	405.885	5.430	30	20	HKED	
CC1(C)CCc2nc(O)c(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2C1	1626698525	OFPXPTPVAYFFRQ-UHFFFAOYSA-N	413.477	5.218	30	20	HKED	
N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCC4CCC4)cc3)CCC2)cc1	1786262656	NFWPJYPJSAURLJ-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
CC[C@H](C)[C@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1ccccc1	1787717577	XDGZPUBEHHSOQQ-CYFREDJKSA-N	417.553	5.254	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COC3CCCCC3)CCC2)cc1	1789449414	QEVPQSJQOZJFIK-QHCPKHFHSA-N	424.585	5.238	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1	1790648330	LQQTWGFMFOPEJD-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1	1791588846	BOAXEWIFRYADNR-UHFFFAOYSA-N	417.534	5.134	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc2)CCC1)C(F)(F)F	1791970994	BYPSLQMOUJQKKJ-KOMQPUFPSA-N	408.464	5.065	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC(C)(C)C2)CC1	1823755230	OKVZNXRHBAYXLQ-OAQYLSRUSA-N	402.623	5.035	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825789789	SGSACDFBUQWTCD-RTWAWAEBSA-N	414.615	5.058	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(CC)cc2)cc1	10168275	BGRCCVGBCMRWPU-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)nnc1-c1cccc(C)c1	16862956	NGTPHQCHTAPRLU-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
C=C(C)CN/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc2c(c1)CCCC2	22798049	PZZAYMUVZHYNNH-UHFFFAOYSA-O	407.603	5.081	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccco1	29550619	HDCXCMJXGMARIC-HXUWFJFHSA-N	416.506	5.196	30	20	HKED	
CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1C	51156440	LJFIOUNMACZMPH-QGZVFWFLSA-N	409.898	5.220	30	20	HKED	
N#CCCCOc1cccc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)c1	237731853	TWSKCIXEMUPPPF-UHFFFAOYSA-N	417.484	5.050	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1c(Cl)cccc1Cl	303271582	HNPHUPAAABVPEQ-LBPRGKRZSA-N	411.379	6.118	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl	303518583	PTSAPQKAKWTGFF-YCPHGPKFSA-N	413.226	5.497	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cccc(OC(F)F)c1	409866696	ZABVUEMEZNCOPC-UHFFFAOYSA-N	408.404	5.442	30	20	HKED	
COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	427245257	YVKXXTIGBVNTSB-LJQANCHMSA-N	421.840	5.165	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@H](CCCC#N)c1ccccc1	431473568	SZEHGPIXVRYTTR-OXQOHEQNSA-N	403.448	5.371	30	20	HKED	
N#CCCC[C@@H](NCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	433015451	KLOKDEHHYDVHBP-GOSISDBHSA-N	401.297	5.568	30	20	HKED	
C=CCN(C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc2c(s1)CCCC2	433519735	MNMULDCIXZEPNT-XFKLWTPLSA-N	424.532	5.690	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1)c1ccccc1	433746371	DXQURDYTEKQVDF-LJQANCHMSA-N	408.408	5.319	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@H](C#N)c1nccc2ccccc12	435773014	SKOIZEFHEHXJMC-QGZVFWFLSA-N	422.271	5.995	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[S@@](=O)CCCCC(C)(C)C#N	435879983	NAYYMSFYYPYIFS-MHZLTWQESA-N	405.995	5.170	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)cc1C#N	439145989	KPAPYIPUEAQBGZ-AWEZNQCLSA-N	421.547	5.486	30	20	HKED	
CCCc1c(NC(=O)N[C@H]2CCSc3ccccc32)cnn1-c1cccc(C#N)c1	439680078	CBOLUWFNGPLLGZ-IBGZPJMESA-N	417.538	5.055	30	20	HKED	
COc1cc(OC)c(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl	440583767	TVVXEZYGMKBDQS-GFCCVEGCSA-N	405.907	5.395	30	20	HKED	
COc1ccccc1NC(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1	446900857	SAPQSWIQLLRQQA-UHFFFAOYSA-N	415.493	5.242	30	20	HKED	
C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1cccs1	460376251	OGTCDERXRJXQNR-FQEVSTJZSA-N	403.555	5.329	30	20	HKED	
Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)[C@@H](C)c1cccc(C#N)c1	464320212	LVTWSYCCSWWATF-AWEZNQCLSA-N	421.285	5.339	30	20	HKED	
CC(C)(C)[C@@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	464711175	MYVUMRLYSUJJMV-QGZVFWFLSA-N	403.891	5.067	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CC(F)(F)F)c2ccccn2)cc1	465452576	NCYGSLWSCHULRV-UHFFFAOYSA-N	411.383	5.263	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1	466189450	ACXCREYIKODHMH-UHFFFAOYSA-N	402.454	5.296	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	468126023	WXSYGNOMJUISAN-QGZVFWFLSA-N	415.541	5.046	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)ccc1Cl	468991774	NHGPCASQJLQOJQ-AWEZNQCLSA-N	402.325	5.749	30	20	HKED	
COCCCC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1	471340721	JYVWOAZTGQPTNT-HSZRJFAPSA-N	415.493	5.033	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c1C	472347915	LEMSOSLCGJAZCY-UHFFFAOYSA-N	418.806	5.285	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(Oc4ncc(Cl)cc4Cl)cc3)CC2)cc1	473643784	ORGRWJDANJUPGP-UHFFFAOYSA-N	424.287	5.723	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1	475158484	UQVHMEYYDAGWPU-UHFFFAOYSA-N	407.297	5.128	30	20	HKED	
CCc1onc(C)c1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	480660890	QDWXBFVVEPVXGY-UHFFFAOYSA-N	410.861	5.294	30	20	HKED	
C=C(C)[C@@H](N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1	480673017	UHSMZQFMKVDFPY-RNODOKPDSA-N	412.402	5.608	30	20	HKED	
CCCN(C(=O)Nc1cc(C)n(CCC#N)n1)[C@@H](C)c1ccc(Cl)c(Cl)c1	480913796	PMVLBFUSOSHSSS-AWEZNQCLSA-N	408.333	5.417	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Br)cc2)CC1	484801908	FLMIEKBLRCHZRJ-UHFFFAOYSA-N	409.205	5.275	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccccc3Nc3ccc(F)cc3F)o2)c1	486078878	WJVHBNITXHRKCD-UHFFFAOYSA-N	403.392	5.242	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1cc2c(cc1Br)OCCO2	487377784	LAXDETWYYIZCTI-CYBMUJFWSA-N	419.344	5.227	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1OCCc2sccc21	494975198	JYLRAVCQTNJYPG-IVZQSRNASA-N	419.506	5.236	30	20	HKED	
N#Cc1ccc(-n2nccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	497956978	BNAUQPOHFVDDQX-UHFFFAOYSA-N	424.304	5.034	30	20	HKED	
Cc1onc(CC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)c1C#N	500403899	BMGZQOKVNFTIRA-UHFFFAOYSA-N	418.840	5.030	30	20	HKED	
CN(Cc1ccco1)Cc1ccccc1CNC1CCC(C#N)(c2ccccc2)CC1	507606798	QPKAUPLCEVPVBE-UHFFFAOYSA-N	413.565	5.405	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	511056151	JBKPEKQAKACROF-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H]1CCc2ccccc2C1	512523919	OOOBCMWOFCOVRV-JOCHJYFZSA-N	411.505	5.680	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc2ccccc2s1	513050768	HTKKFAKHLMQRFT-IBGZPJMESA-N	402.450	5.504	30	20	HKED	
N#C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl	517492245	PRJRPWWOUCZHBX-CQSZACIVSA-N	419.255	5.485	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc2ccccc2s1	517795582	CSWJUBYLFLNHLO-AWEZNQCLSA-N	415.312	5.336	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2ccccc12	517800867	MLCADHACOKSNIG-QGZVFWFLSA-N	413.458	5.064	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1	518256005	VQDASDBNTWNABS-GOSISDBHSA-N	423.586	5.178	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)c(F)c2)cs1)c1c(C)cc(C)cc1C	518746690	QAKHLDNYPXIDOH-UHFFFAOYSA-N	409.486	5.343	30	20	HKED	
N#CCc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c1	520479621	CFWXQTAKBGHFHS-NRFANRHFSA-N	405.295	5.035	30	20	HKED	
CCOc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)c(C(F)(F)F)c1	521955013	NYVJETUYNKLRNQ-UHFFFAOYSA-N	406.404	5.164	30	20	HKED	
CCOc1cc(N[C@H](C#N)C2CCCCC2)c(OCC)cc1NC(=O)c1ccccc1	523738286	LVTAVFBGMGGDSZ-JOCHJYFZSA-N	421.541	5.621	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ncc(-c2ccccc2)o1	525346185	CUCJUHQATFSYPH-KRWDZBQOSA-N	424.460	5.888	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)sc2c1CCCC2	525429478	BNFAVFGMFPYEIY-KBPBESRZSA-N	406.429	5.139	30	20	HKED	
C=C(C)[C@H](CC(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)OCC	534396086	MDDKBJORUNPJHP-SFHVURJKSA-N	408.420	5.227	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)c1cccc(C(F)(F)F)c1	534676478	JBAAJFGADYNIJA-GOSISDBHSA-N	408.807	5.285	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C1CC1	535680582	OBISPSZKQMAASG-MRXNPFEDSA-N	415.497	6.039	30	20	HKED	
COc1cccc([C@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2cc(F)ccc2OC)c1	537407353	OQUJOEDBUKZRPG-MYYSRTQBSA-N	408.448	5.294	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(C#N)cc1	538054940	CRJGUJJJLQYBEU-HNNXBMFYSA-N	401.432	5.227	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2)cc1	538530285	AFUYHXGKIPZTKD-UHFFFAOYSA-N	407.473	5.139	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc2c(c1)CCCC2	546916666	KQFLNTMYUAAQCE-QZTJIDSGSA-N	407.583	5.106	30	20	HKED	
C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2cccs2)CC1	549961205	AMJBNDLJHYEVKI-GOSISDBHSA-N	424.570	5.083	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	552687040	SWDVKUXHNGPSCJ-INIZCTEOSA-N	418.472	5.116	30	20	HKED	
N#CCc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccccc1F	554752870	UBPGSJVXFIAHJP-UHFFFAOYSA-N	416.477	6.183	30	20	HKED	
N#CCCC[C@H](NCc1cc(Br)cc(Br)c1)c1ccccc1	556907111	HJEZZOQNCWRVNP-SFHVURJKSA-N	422.164	5.736	30	20	HKED	
CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	558277274	IEZSGUYDZMRLET-UHFFFAOYSA-N	405.420	5.093	30	20	HKED	
C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H]1c1ccsc1	562019518	KKZYAZVHDKPZIO-NRFANRHFSA-N	401.539	5.391	30	20	HKED	
CC1(C)COc2c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cccc21	567608483	QDBWXONNXCDNKI-UHFFFAOYSA-N	412.489	5.254	30	20	HKED	
C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC2CCCC2)CC1	568535811	DBMJWFNCCJFBKA-UHFFFAOYSA-N	400.954	5.103	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cc3cccc(F)c3)cc2)ccn1	573887049	VAWIIJWYICJRMY-OAQYLSRUSA-N	416.456	5.124	30	20	HKED	
N#CCCCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc21	574753424	JNTMFKFFMNXKDH-IBGZPJMESA-N	410.502	5.559	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N1CCc2nc(-c3ccccc3Cl)sc2C1	575210786	TUUMNWYFTMGJAY-UHFFFAOYSA-N	420.847	5.312	30	20	HKED	
Cc1nc2ccccc2n1C1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc23)CC1	579020443	DTWCFFQPIHQWHO-UHFFFAOYSA-N	421.426	5.023	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)cc1Cl	588192542	ZOMZSYFWBUFCHC-UHFFFAOYSA-N	406.288	5.126	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC)cc1C	589199007	HCFFKXNYDRMIOF-UHFFFAOYSA-N	407.283	5.125	30	20	HKED	
N#Cc1cccc(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)n1	589790144	DGGOFUQQCKJZSV-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2ncc(-c3ccccc3)[nH]2)c1	603454270	GVQTYXYCBZCOCN-GOSISDBHSA-N	404.539	5.121	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	603872844	WBELQYJSLZVYIA-CYBMUJFWSA-N	403.345	5.370	30	20	HKED	
Cc1ccc2oc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2c1	604171333	KYENGMIVSXUSIO-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3csc(-c4ccccc4F)n3)cn2)cc1	604436419	UQTGSPZDDXMEHI-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
COC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	609163869	BDXWJRDSKDFIBQ-INIZCTEOSA-N	410.882	5.096	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1	609371751	VXTGKBWIJQQESZ-OAHLLOKOSA-N	408.552	5.059	30	20	HKED	
CCCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](C)c1ccc(C)o1	609498969	BEAXROMDQZCHLG-GOSISDBHSA-N	403.482	5.651	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1Br	609593185	QTWCOSCKINBKAI-MRXNPFEDSA-N	415.674	5.357	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1Cl	609643228	IAIDAGJPNJNZPU-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)cc1	609988073	IEJIPJYBTRRQRD-HSZRJFAPSA-N	417.896	5.169	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C#N)c(C#N)c3)o2)cc1	610111873	VRXPFABDFARLEJ-UHFFFAOYSA-N	404.429	5.313	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1F	610220385	ALPWDJUTAKIQLG-UHFFFAOYSA-N	422.485	5.058	30	20	HKED	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	610321937	UVAMSHKKGNPPDI-RSXGOPAZSA-N	411.505	5.183	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@H]2CCc3c(Br)cccc32)c(Cl)c1	611093830	HLTPNUNHYBLOLP-HNNXBMFYSA-N	410.098	5.045	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4cccc(C)c4)c3C)n2)cc1	613318342	YJICJGQRBAYBOX-FQEVSTJZSA-N	412.518	5.411	30	20	HKED	
CC[C@H](C)Oc1cc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1OC	615728718	ZTMVXKAUBKHOEW-SFHVURJKSA-N	421.541	5.068	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1	642501462	RNIRALHCIBHNRP-ROUUACIJSA-N	411.571	5.086	30	20	HKED	
O=C(Nc1ccc(Cl)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642693633	LJQDCIYXTAXLHV-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	674784339	GGWAPFVNGJPUGI-UWVGGRQHSA-N	411.239	5.047	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1Cl	727627860	MVXFHCOXLHAPFU-DMIOIOJGSA-N	420.868	5.406	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1	729891977	PBURSKIFHSNWLX-QZTJIDSGSA-N	419.481	5.050	30	20	HKED	
Fc1ccc(-c2nnc(S)n2N=Cc2c(OC(F)F)ccc3ccccc23)cc1	730548420	AVKMDQZVEDZXML-UHFFFAOYSA-N	414.412	5.010	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc2ccccc12	731073731	YRSSYYJVFQELPJ-HNNXBMFYSA-N	424.547	5.020	30	20	HKED	
Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)cc2)cc1	731563728	SKMQTFOYFZQWAC-XYOKQWHBSA-N	413.395	5.590	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)c1	733844956	HVYCGBVGOZHTCC-HXUWFJFHSA-N	416.481	5.185	30	20	HKED	
N#C[C@@H](C(=O)CC1CCC(c2ccccc2)CC1)c1nc(-c2ccncc2)cs1	734082486	CSPGMZABGMMDDR-XTXLOEGASA-N	401.535	5.745	30	20	HKED	
FC(F)(F)c1cc(NN=C2CCC[C@@H]2Cc2ccccc2)nc(-c2cccnc2)n1	735615540	NZWJLODONFBMAW-MRXNPFEDSA-N	411.431	5.368	30	20	HKED	
COc1cccc(-c2nc(/C=C\C(=O)c3c(Cl)nc4sccn34)cs2)c1	741842689	BBPYQFVVYIGLFR-WAYWQWQTSA-N	401.900	5.077	30	20	HKED	
CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1	746142217	NZLKOKITQUUXJC-AVRDEDQJSA-N	421.541	5.124	30	20	HKED	
COc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1C#N	746740003	BZJNYZWXQQCABX-UHFFFAOYSA-N	422.912	5.098	30	20	HKED	
C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	749046513	XCIKALCPTGXZDD-VLCRHTCISA-N	421.541	5.050	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)OC[C@H](C#N)Cc3ccccc3)cs2)cc1	750786179	GMLPRTNBYUICJK-SFHVURJKSA-N	406.507	5.137	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc4ccccc4n3)n2)cc1	752173460	DQXPZTQZTVYNHY-SGWGQVFISA-N	406.470	5.120	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	752178992	USSPSZVWABFQOZ-HUUCEWRRSA-N	406.404	5.824	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3occc3CSc3ccccc3)n2)c1	752375555	BMINPRGHOVEWNW-UHFFFAOYSA-N	417.515	5.819	30	20	HKED	
C=CC(=O)Nc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1F	758286820	NYSQKLLNLPZCRE-UHFFFAOYSA-N	419.387	5.006	30	20	HKED	
CC#CCCSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	764953629	FPCQRGVRKUGAJJ-LGMDPLHJSA-N	416.955	5.300	30	20	HKED	
CC(C)Oc1ccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1C#N	771883154	BFOCLKQBDWEUQW-UHFFFAOYSA-N	402.376	5.026	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](C)Cc1ccc(Cl)cc1	772647279	XBBPZJZLPSJRNX-IIBYNOLFSA-N	410.945	5.381	30	20	HKED	
CCOc1cccc2cc([C@H](C)NCc3ccc(OC)c(O[C@@H](C#N)CC)c3)oc12	776164890	KYOOGHDEBDTMJP-QFBILLFUSA-N	408.498	5.372	30	20	HKED	
CCOCc1cc(CNc2ccc(OCc3cccc(C#N)c3)cc2)ccc1OC	779594975	RJTNALVYJQCDFV-UHFFFAOYSA-N	402.494	5.294	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(CSc2ccccn2)c1	780542526	ZPKCPJYLOGUYEU-INIZCTEOSA-N	404.495	5.309	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(COCc2ccccc2)cc1	780582459	MURZBDSIQSHYIR-GOSISDBHSA-N	401.466	5.338	30	20	HKED	
N#Cc1ccc(C2(C(=O)OCc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1	781395141	UXYVULVINSDXAL-UHFFFAOYSA-N	412.367	5.007	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2ccc(Cl)cn2)cc1C	781710373	HJFPCKPJYSEKSS-MRXNPFEDSA-N	408.889	5.047	30	20	HKED	
C=C[C@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	785759179	JCRRWFDHSRRSKE-JOCHJYFZSA-N	400.544	5.398	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1	789452579	STWFQUPZLSIVPX-GGAORHGYSA-N	410.533	5.798	30	20	HKED	
CN(C(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCCC1	793135685	PYWMDWIWAJVUHK-UHFFFAOYSA-N	403.526	5.145	30	20	HKED	
C[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncccc1F	798250902	BBFJWPFRMPINPF-ORAHPGNNSA-N	406.301	5.149	30	20	HKED	
N#Cc1sc(SCCCCSc2nc(Cl)c(C#N)s2)nc1Cl	804678221	GKMFWNKVPXZHGW-UHFFFAOYSA-N	407.398	5.314	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(F)c(Br)c2)ccc1OC(F)F	810248221	QHDPLXNICLTWDS-KXFIGUGUSA-N	401.178	5.094	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1	815948049	XXLHYKRLJIRAGR-GFCCVEGCSA-N	417.412	5.322	30	20	HKED	
C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl	816760956	MTBOXEDPPQEQBL-ZETCQYMHSA-N	414.708	5.403	30	20	HKED	
N#Cc1c[nH]c2cc(-c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)ccc12	904493039	MKNFSFQSZWLHRZ-UHFFFAOYSA-N	416.444	5.155	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1	916627279	KCZJLEHDUZHSPE-GOSISDBHSA-N	410.926	5.806	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc2ccccc2[nH]1	916845400	WFALMNWRIUYVJB-KRWDZBQOSA-N	401.853	5.139	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccc(Cl)cc1	916883419	RHANYKBIFOZRAA-GOSISDBHSA-N	410.832	5.019	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997258	ULQMUTMYHKRFAM-MRXNPFEDSA-N	415.345	6.271	30	20	HKED	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917043540	MRIZCIQLCZJNOT-YOEHRIQHSA-N	411.452	5.373	30	20	HKED	
COc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920140295	AWGKMIJXFXCPCB-LJQANCHMSA-N	419.531	5.049	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CCC2)cc1	1787887688	RCIWTUFLFDLBNV-YUXAGFNASA-N	407.558	5.031	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4cccc(Cl)c43)cc2)CCC1	1791141173	KAPUXDUFURHKER-IBGZPJMESA-N	408.929	5.080	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3SCC)CCC2)cc1	1791243969	KVDFJOAXMDCNDP-QGZVFWFLSA-N	423.582	5.154	30	20	HKED	
C=CCNc1nnc(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1	11394156	VROXQXJMJRXODF-SSDOTTSWSA-N	423.778	5.216	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(C(C)C)cc3)no2)nc2sccc2c1=O	21990324	VOCKVCMBCUWPDF-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)n1	45716198	QOYHVPMCLKADFZ-CYBMUJFWSA-N	407.461	5.523	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc(C(F)(F)F)cn1	48828923	INWRYPJBMDFZCJ-ZDUSSCGKSA-N	407.804	5.367	30	20	HKED	
CCOc1c(Cl)cc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1OC	59781397	SPAOVOHMMSNUDH-UHFFFAOYSA-N	420.896	5.216	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12	78668964	WGSYLXNHMMSGPN-UHFFFAOYSA-N	418.547	5.250	30	20	HKED	
CSc1ccc([C@@H](CNCC(C)(C)CCC#N)N2CCc3sccc3C2)cc1	237418917	FMINWOPOBQHHOL-OAQYLSRUSA-N	413.656	5.489	30	20	HKED	
C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(Cl)cc1Cl	428341465	OUMKMDRDNOXEQT-AWEZNQCLSA-N	413.308	5.262	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C	428786782	ITOHDVANKDMVCT-LADGPHEKSA-N	419.569	6.004	30	20	HKED	
CC(C)(C#N)c1ccccc1CNc1cccc(Oc2ncc(Br)cn2)c1	431201037	CBLBNTGJLJUXIA-UHFFFAOYSA-N	423.314	5.445	30	20	HKED	
COc1cccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c1OC1CCCC1	431932752	ARPURJBZXICTKY-QFIPXVFZSA-N	421.541	5.251	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1	432675983	DPQSUJLFLDKFCI-LLVKDONJSA-N	420.288	5.004	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	437969707	NZBAWVMUKYFXIC-APHBMKBZSA-N	420.328	5.092	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	438044206	XLIFUNGEAHOKEH-LMNJBCLMSA-N	404.539	5.242	30	20	HKED	
CC1CCC(N(C[C@H]2CCCO2)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	438076671	SMAGAKWNLSYFQG-CQJJOKNBSA-N	415.603	5.672	30	20	HKED	
CCCc1c(N[C@@H](C)c2ncc(Br)s2)cnn1-c1cccc(C#N)c1	439052637	UTFIACIYHFUKKL-LBPRGKRZSA-N	416.348	5.089	30	20	HKED	
CCCc1c(NC(=O)Nc2cc(Cl)cc(F)c2F)cnn1-c1cccc(C#N)c1	442163799	CBXHAEUVPAJGOW-UHFFFAOYSA-N	415.831	5.272	30	20	HKED	
COc1cc(NC(=O)CCS[C@H](C)c2cccc(C#N)c2)c(OC)cc1Cl	443150739	CSSGIBKEEOYQBM-CYBMUJFWSA-N	404.919	5.052	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(F)c1Br	443520997	LWHUVLBZRKWIJE-UHFFFAOYSA-N	422.273	5.289	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)c2ccccc21	443949581	FZFHTLZDHBDPOA-UHFFFAOYSA-N	422.488	5.450	30	20	HKED	
Cc1oc(-c2ccccc2)c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1C	444448090	BEXDWZJMOIKCSZ-MRXNPFEDSA-N	405.404	5.798	30	20	HKED	
N#C[C@@H]1N(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCC[C@]12CCCCO2	448273795	TXKGDFCBBQPTOU-LADGPHEKSA-N	423.944	5.020	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNc2ccc([N+](=O)[O-])c(C#N)c2)cc1	463322264	XXJHMPYTSFXGSW-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)c1cccc(C#N)c1	463764943	INMUKNOTBPHBLH-AWEZNQCLSA-N	400.869	5.497	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1cc(C(F)(F)F)ccn1	464416475	CHEOKTHTYBYDFC-LBPRGKRZSA-N	409.161	5.099	30	20	HKED	
CC(C)c1ccccc1-n1c(SCCCSCC#N)nnc1-c1cccnc1	466617578	JVMUYOGLUZQPBJ-UHFFFAOYSA-N	409.584	5.192	30	20	HKED	
COc1ccc2cc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)ccc2c1	469209767	HJMOZUBVTCDABW-GOSISDBHSA-N	413.521	5.604	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(COC3CCCC3)cc2)c2ccccc21	469468749	NGECXEZCJXZNPG-UHFFFAOYSA-N	401.510	5.657	30	20	HKED	
N#CCc1ccc(NC(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)cc1	470612018	PVLBKKBFLRDSNT-QHCPKHFHSA-N	401.897	5.738	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1	471176403	GMZLAWLJJQDMBX-MAUKXSAKSA-N	416.294	5.067	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCCC[C@@H]2c2nc3ccccc3o2)c2ccccc21	474231101	KRJNFNLYHJBQPE-JOCHJYFZSA-N	412.493	5.106	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1	475543570	DVHNCMCPIVCDEB-QGZVFWFLSA-N	414.550	5.319	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)CNc1ccccc1	476634276	LCARTDRQPIJXPW-IBGZPJMESA-N	414.509	5.068	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1CCC(F)(F)F	477089878	LSQFQRKEPIHUFQ-UHFFFAOYSA-N	408.468	5.569	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccncc1	481348580	ZHKKDNIHICXROR-KRWDZBQOSA-N	421.570	5.159	30	20	HKED	
CC(C)(C#N)c1ccccc1CSCc1csc(-c2ccc(C(N)=O)cc2)n1	486740085	GEHNELRPEIFRDT-UHFFFAOYSA-N	407.564	5.144	30	20	HKED	
Cc1c(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)sc2ccc(C#N)cc12	487386883	OBXYESZMMJAHOH-HNNXBMFYSA-N	419.481	5.382	30	20	HKED	
N#CCCC[C@H](NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1	487506925	WQXCALGRSHRFKL-FQEVSTJZSA-N	417.336	5.898	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)CC(C)(C)C)c3cnn(C(C)C)c3n2)s1	494299460	XIHGUFGAWYAYTM-UHFFFAOYSA-N	423.586	5.451	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1	495080827	SCFBISNYQZOTRK-KKSFZXQISA-N	404.476	5.765	30	20	HKED	
C=CCNC(=O)c1ccc(N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)nc1	495324842	XZOZDVWCJLRZAY-ZDUSSCGKSA-N	412.946	5.256	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	498649077	NIQXAXAALABWTI-UHFFFAOYSA-N	402.494	5.043	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OC2CCCC2)nc1	499788807	FJCGPSVFFXCNBD-UHFFFAOYSA-N	405.951	5.016	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1F	506005554	YZHZXOKIAXVXPE-CQSZACIVSA-N	413.518	5.121	30	20	HKED	
C[C@H](c1ccccc1Br)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1	506351506	NLTLDBBXHPQTKF-BEFAXECRSA-N	400.320	5.197	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(F)(F)F)cc1	506641989	JBXJOKYVQKWFIV-UGSOOPFHSA-N	423.460	5.515	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OCC(C)C)CC1	508460437	CPIDZCLOSDFNEN-UHFFFAOYSA-N	409.361	5.079	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	512193426	HXQYDMVUEYTUDU-UHFFFAOYSA-N	410.823	5.204	30	20	HKED	
CCCc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc1C	513656061	XAWOZGBSWHZKFP-CQSZACIVSA-N	411.552	5.088	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(SCc2csc(C)n2)cc1	515670207	NAAPWCIHMJRGQQ-UHFFFAOYSA-N	424.591	5.581	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccc(F)cc4c3C)n2)cc1	516714220	VMGLOXVCCMBPPK-QGZVFWFLSA-N	406.438	5.503	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)CNc3ccccc3SC[C@H](C)C#N)c2)cs1	517458650	SMFPECVHJKJOHE-OAHLLOKOSA-N	422.579	5.421	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)Nc1ccccc1SC[C@H](C)C#N)c1ccc2c(c1)CCCC2	520388262	KHFROEDFIYWSFA-CEXWTWQISA-N	421.610	5.495	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	520713216	HXKCCNJJLYILOB-RPWUZVMVSA-N	414.480	5.351	30	20	HKED	
COc1ccc([C@@H](NCc2cccc(OCCCC#N)c2)c2ccc(C)cc2)cc1	520978826	JVJLAEJAHJOKDF-SANMLTNESA-N	400.522	5.565	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	521716680	ODSCCLSWCPLPDP-UHFFFAOYSA-N	417.465	5.748	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3cccc(OCC(F)F)c3)cc2)cc1	521929074	BGFBIBNENBGKCB-UHFFFAOYSA-N	422.431	5.119	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cc1	522233117	ATOAUJBKFPPAED-QRWLVFNGSA-N	417.465	5.397	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1cccc(F)c1	522718943	REOXRVICWCJDHP-OAHLLOKOSA-N	423.517	5.034	30	20	HKED	
N#CC1CCN(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1	524134989	HWMJVHWCAVIUPY-UHFFFAOYSA-N	405.929	5.038	30	20	HKED	
N#C[C@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)c1nc(-c2ccncc2)cs1	524441296	VXSMHDONDPPHNY-LJQANCHMSA-N	412.518	5.445	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	525369129	MWMVWAQNYZVXCC-LLVKDONJSA-N	414.836	5.272	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1	533920523	KRPNXMLNJPZIIE-IBGZPJMESA-N	420.534	5.094	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1coc(-c2ccc(C(F)(F)F)cc2)n1	534403202	LOQWOUNVDAQUQK-AWEZNQCLSA-N	417.456	6.224	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	534485820	VCNFOIYVUCMVNI-GFCCVEGCSA-N	410.465	5.690	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1C(C)C	534824551	MFLUSYXDOXWPNQ-UHFFFAOYSA-N	412.331	5.664	30	20	HKED	
Cc1nc(C)c(CCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1	535617018	NDESDRJEYIWPTH-UHFFFAOYSA-N	411.914	5.050	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccccc1C(F)(F)F	537158410	AAVFFWMZTLNYNF-GJZGRUSLSA-N	421.488	5.389	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC(F)F	540224530	FMDFXERRQPIVJI-UHFFFAOYSA-N	405.420	5.031	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1ccc(Cl)cc1)c1cccnc1	540724038	UCGORXQEBCASSY-HSZRJFAPSA-N	415.924	5.542	30	20	HKED	
CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542937480	NHYLWGVMFYKGQU-ROUUACIJSA-N	411.505	5.106	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C	543796882	DOZQPFYMDOTNKZ-UHFFFAOYSA-N	405.281	5.421	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F	548283721	OYVDPEHVAJGTCI-NRFANRHFSA-N	411.839	5.137	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1	552219374	QHZAVMOFKCARBX-WDEREUQCSA-N	421.303	5.661	30	20	HKED	
CCc1ccc(C2=CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1	552526841	NGSDGRPDDDLIHC-SFHVURJKSA-N	405.567	5.964	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](c3nc(-c4ccc(Cl)cc4Cl)no3)C2)c(F)c1	554824556	YARNIVJXRLFKLX-GFCCVEGCSA-N	403.244	5.048	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OCC2CC2)CC1	555285806	SHSRFIASMGIDHG-HXUWFJFHSA-N	424.589	5.006	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	558755368	OFEYSRNSSABHRS-LJQANCHMSA-N	418.537	5.082	30	20	HKED	
O=C(O)C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	559980609	PNLUZKDUBAKAIJ-OAHLLOKOSA-N	409.301	5.169	30	20	HKED	
C=CCOc1c(Br)cc(CN(CC)[C@H](C)c2cccnc2)cc1OC	577682117	OOUGTMRZUFTWMM-OAHLLOKOSA-N	405.336	5.001	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	591502405	AKNVKMHZJWEELC-UHFFFAOYSA-N	419.447	5.696	30	20	HKED	
N#C[C@@]1(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCSC1	603886372	NEOWEOWHXKTBEF-IBGZPJMESA-N	423.390	5.415	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4cnccn4)c3)n2)cc1	606145614	IHFAPXNUYRRMPN-LJQANCHMSA-N	412.474	5.191	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ncc(-c2ccccc2)o1	606946643	HKENWQIEEILSBW-SFHVURJKSA-N	408.461	5.019	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccccc2SCC(F)(F)F)C2CC2)cc1	608993699	JZOMMQICDWDGNP-UHFFFAOYSA-N	405.445	5.409	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)c(C)c1	609427820	OXMRVYHFNHKMIX-MRXNPFEDSA-N	407.564	6.074	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C	611556679	LSYCBTGRFSBQSV-RDJZCZTQSA-N	417.431	5.854	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)C1	612374971	ACJPIYQROLAUDL-TZIWHRDSSA-N	403.860	5.043	30	20	HKED	
C=CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC	613320463	ZHHPKCIZTIVFLE-KRWDZBQOSA-N	424.909	5.527	30	20	HKED	
C=CCN(C(=O)CCc1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	619130833	HIIVIKVEZSNZIX-UHFFFAOYSA-N	407.495	5.179	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1csc(C(F)(F)F)n1	622485605	SDKOPWGTUGIEFY-SECBINFHSA-N	422.272	5.214	30	20	HKED	
C=CCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc2c(s1)CCCC2	623331536	CGKSUSFQWVAVIM-UHFFFAOYSA-N	408.548	5.476	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)s1	642077218	KSNLYIGLMUSNQJ-UHFFFAOYSA-N	420.509	5.572	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@H]1CCCc2c1cnn2C)c1ccc(C(F)(F)F)cc1	676761422	VWTYBRCMJQDEFX-MOPGFXCFSA-N	420.479	5.165	30	20	HKED	
C=C(C)COc1cc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC	678208554	SLXAJXFUPNJRAR-GJZGRUSLSA-N	411.386	5.213	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1NC(C)=O	726427889	AIKYMPJOCKZFME-CSKARUKUSA-N	411.910	5.932	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc(-c2ccccc2)cs1	727954709	SBTFEDBMTANTEL-TWLJRWAQSA-N	414.530	6.021	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2nc(O)[nH]c2c1	728158192	WWAWQKRPVNTXDG-VURMDHGXSA-N	415.396	5.307	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(\Br)c2ncc(-c3ccc(F)cc3)o2)cc1	728699661	HNQWSKMRDKNOAU-VQIMKDEXSA-N	413.246	5.665	30	20	HKED	
Fc1ccc(Br)c(CON=Cc2cccc(OCc3ccncc3)c2)c1	729674488	NRHOWEILADJDMR-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1	730072792	YUFOOWPNZWSMIL-BEFAXECRSA-N	400.475	5.440	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)c1ccsc1NC(=O)c1ccccc1Cl	730367202	HOIULYYQEWLHKE-UHFFFAOYSA-N	414.845	5.022	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)ccc2c1	730416123	ASMRKCXEJZRIJF-DPAQFELZSA-N	402.450	5.487	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	730989340	LODGLEVWRYGIIX-OAHLLOKOSA-N	411.527	5.538	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc(-c2ccncc2)cs1	734081267	HSYZXLACSDWMAZ-LJQANCHMSA-N	409.470	5.523	30	20	HKED	
CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	735567933	XTOOPZSYZRAOKB-CLJLJLNGSA-N	424.548	5.777	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C	737018442	UNFBZIUXCCYQBP-UHFFFAOYSA-N	423.557	5.664	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccccc2F)CC1)c1nc2cc(C(F)(F)F)ccc2s1	737323194	QGXJIENFGGRTNP-GFCCVEGCSA-N	404.388	5.362	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	738895255	IQAUNHALQOZJRS-BJKOFHAPSA-N	413.521	6.393	30	20	HKED	
COC(=O)[C@H](N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccc(C#N)cc1	739990162	OJXJKAXLTBCVOX-QMHKHESXSA-N	404.441	5.055	30	20	HKED	
CCO[C@H]1CC(=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C12CCCCC2	741460466	NHEDXGWZEQYAOP-KRWDZBQOSA-N	419.451	5.085	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	741902599	NUYARVGMZNKLMI-KKSFZXQISA-N	408.423	6.103	30	20	HKED	
O=C(Nc1cccc(/C=C2\Cc3cc(Cl)ccc3C2=O)c1)c1ccccc1Cl	742436706	DVXGLEUZINQGKK-MHWRWJLKSA-N	408.284	6.068	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)s2)cc1	743811913	ITPZPVDPJFVREP-IBGZPJMESA-N	408.914	5.238	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccnc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	744036566	CRBCHDILSAKWNZ-GXYHREHHSA-N	421.566	5.041	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(Cc2cccc(C)c2)CC(C)C)c1=S	746054638	YNPIFAORJWFQNU-UHFFFAOYSA-N	407.587	5.086	30	20	HKED	
COc1cc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)ccc1OCc1ccc(F)cc1	746345264	BXBJXGFQLWPOAV-XYOKQWHBSA-N	422.500	5.704	30	20	HKED	
N#Cc1ccc(NC(=S)N(c2ccccc2)C2Cc3ccccc3C2)cc1Cl	746401194	ZKWADNVXLSBXNX-UHFFFAOYSA-N	403.938	5.582	30	20	HKED	
Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	746771015	WLQXJDKGLXAWTB-NRFANRHFSA-N	404.539	5.062	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1	748620641	SLOGRHRIXHHEKJ-DYESRHJHSA-N	422.529	5.439	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1	749024413	BDQWUDXBKVAFLE-AWEZNQCLSA-N	419.731	5.521	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)ccc1OC	749390536	PPOAUVGSEBUWIU-UGKGYDQZSA-N	414.933	5.086	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2Cl)cc1C#N	752308491	SUNSAVSPMHVIRS-CYBMUJFWSA-N	400.866	5.005	30	20	HKED	
O=C(Nc1cccc(/C=C/C(=O)c2c[nH]c3ncccc23)c1)c1ccc(Cl)cc1	761812364	KREXZLMHPQARMZ-IZZDOVSWSA-N	401.853	5.365	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2cccc(Cl)c2)n(C)c1=S	764935412	XOCYMGXTYWPRIZ-UHFFFAOYSA-N	411.962	5.011	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(F)F)CC1	766684205	JSRBNSGUIVQRIR-UPHRSURJSA-N	401.297	5.241	30	20	HKED	
CC(=O)N(c1nc(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)cs1)c1ccc(F)cc1F	766694863	GQZOZSHUIVCLIC-VQIMKDEXSA-N	424.472	5.798	30	20	HKED	
Cc1csc(SCc2c(C(=O)Nc3cccc(C#N)c3C)oc3ccccc23)n1	770729312	UOLRNGWFSFSVIV-UHFFFAOYSA-N	419.531	5.922	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCSc3c(Cl)cccc32)ccc1OC	772981296	ZADLOCHLVDFKOJ-YJBOKZPZSA-N	402.947	5.356	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](c2ccccn2)c2ccccc2OC)cc1	773114669	CWSQZTAQMANITE-KOSHJBKYSA-N	408.929	5.662	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c1	775817637	HCXKPEGZJHISNV-UHFFFAOYSA-N	413.890	5.185	30	20	HKED	
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(=O)C(F)(F)F)CC1	775857911	SAGDLIFMAYNZIT-VIFPVBQESA-N	421.303	5.629	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(OC)cc1	776084185	JLBWIBJOQOJVFN-PMACEKPBSA-N	406.507	5.197	30	20	HKED	
C#CCOc1ccccc1NC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C	776093805	YPCAEAJRVJRZBY-KRWDZBQOSA-N	405.523	5.355	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)Cc2ccccc2CC#N)c(C(F)(F)F)c1	776866858	ACNFVCKQHSLXEY-AWEZNQCLSA-N	406.473	5.843	30	20	HKED	
Cc1ncsc1/C=C/C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	777296269	IYNJHQVEQHOMJJ-WSJNHIORSA-N	409.580	5.266	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ccco3)cc2F)cc1C#N	786504530	VAVPAVGVFXSMGA-UHFFFAOYSA-N	408.389	5.170	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C	789451527	XOWHWJYMXSFMEA-IBGZPJMESA-N	403.567	5.209	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C	789717908	AOFYEJDKLCGWTC-UHFFFAOYSA-N	408.542	6.067	30	20	HKED	
CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](C#N)c1nc2ccccc2o1	791785061	YXSQCVFZRXDTTI-OAHLLOKOSA-N	403.265	5.416	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2nc(O)oc2c1	794718936	HGHNVFXRYYIFSK-VURMDHGXSA-N	416.380	5.572	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1Cl	796271729	WVGVTQRCGWMWGB-OAHLLOKOSA-N	410.930	5.089	30	20	HKED	
Cc1c(C(=O)O[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)sc2ccc(C#N)cc12	796614031	HMQMJAMCSXRFTJ-RHSMWYFYSA-N	424.547	5.052	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cc(F)cc(C#N)c4)CC3)n2)cc1	796795243	BRQSPCUZLDRFLN-LJQANCHMSA-N	401.466	5.037	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	799985449	XULOIIXMZHJNNZ-KRWDZBQOSA-N	414.461	5.252	30	20	HKED	
N#Cc1cccc(COc2ccc(N[C@@H]3CCO[C@@H](C(F)(F)F)C3)cc2Cl)c1	809635917	LYAWBPRCMRSDST-VQIMIIECSA-N	410.823	5.312	30	20	HKED	
Oc1c(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc2ccccc12	814731359	PINMSZJMYYTCMI-UHFFFAOYSA-N	410.502	5.052	30	20	HKED	
CC(=NNc1cncc(Br)c1)c1sc(-c2ccccc2F)nc1C	814886931	KKVWBWHNNXQTNT-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
Cc1cc(Br)cc(NCc2cc(C#N)cs2)c1NC(=O)OC(C)(C)C	816602861	PEOLXHNZHYSVEO-UHFFFAOYSA-N	422.348	5.650	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1F	821009345	ZQEKFKSXTUMCQL-DHZHZOJOSA-N	424.815	5.536	30	20	HKED	
C[C@@H]1Sc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2NC1=O	915087838	AORAOZHBKCESIM-MGPUTAFESA-N	413.502	5.027	30	20	HKED	
O=C(Nc1cccc(/C=C\C(=O)c2c[nH]c3ccccc23)c1)c1ccccc1Cl	915271109	KAKKPALMMMCMAV-SEYXRHQNSA-N	400.865	5.970	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C\c2c(C)nn(Cc3ccccc3)c2C)cc1Cl	916154519	JEJKGDQWHPNDRV-KHPPLWFESA-N	410.901	5.115	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)nc2ccccc21	916845456	XPSACTVTVGORNC-JICACKBISA-N	417.921	5.845	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1	916905318	MUCZRIKLEOZOQF-GOSISDBHSA-N	424.378	5.459	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc2ccc(Cl)cc12	916944665	KMLWYAPEBAUQRU-OAHLLOKOSA-N	421.667	5.663	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3cc(C)ccc3Cl)n2)cc1	916975198	WHIOWSYKFZBMTM-NVXWUHKLSA-N	410.926	5.724	30	20	HKED	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	917604371	FEDHMYQGSZSINS-YFHOEESVSA-N	420.490	5.056	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Oc3ccccc3C#N)C(C)C)n2)cc1	918488930	HBBQTBVJAZUJLT-AUSIDOKSSA-N	415.518	5.270	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccccc2C(F)(F)F)cc1	919773772	XHKFZUKWKCKWEN-OAQYLSRUSA-N	423.438	5.725	30	20	HKED	
CC(C)(C)c1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	920323663	IPEBGIDGXYCYTJ-MRXNPFEDSA-N	419.506	5.194	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@]3(F)Cl)CCC2)cc1	1789625713	QVPQJSAGLHCBBH-VGOFRKELSA-N	406.929	5.037	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cnc3Cl)CCC2)cc1	1791247497	ZICCNISYZHAAGH-INIZCTEOSA-N	411.933	5.003	30	20	HKED	
N#Cc1ccc(CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1	6474422	SCDRETBOJOFBDH-HYARGMPZSA-N	413.477	5.374	30	20	HKED	
CCCOc1c(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cccc1OCC	7165140	PKPVJLURTIHDJD-RGEXLXHISA-N	410.539	5.383	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2ccc(C)cc2)n1)c1nc2c(s1)CCCC2	20008666	PKUDKHVESPAUQG-UHFFFAOYSA-N	409.580	5.216	30	20	HKED	
CCOc1ccccc1-c1nnc(SCc2ccc(-c3ccccc3C#N)cc2)o1	22416357	MMUZHGDLYVYDFI-UHFFFAOYSA-N	413.502	5.966	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccccc2)cc1	22730593	ARBXMRSMBHVVEW-UHFFFAOYSA-O	411.934	5.077	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc(-c2ccccc2)cs1	50206239	IXYFOOQUKUKXHD-INIZCTEOSA-N	404.882	5.139	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc(SCc2csc(C)n2)cc1	65774437	IYKHSPUOTDNYML-UHFFFAOYSA-N	408.592	5.615	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1	116452197	KCJJXDNPJSOYAN-UHFFFAOYSA-N	402.306	5.094	30	20	HKED	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	303377430	UZMHESZRFYLGRF-ROUUACIJSA-N	410.539	5.008	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1	429003697	DGCCWIVEDJMUME-UHFFFAOYSA-N	401.919	5.143	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c12	430577078	BWCMWSAZOXFUFV-INIZCTEOSA-N	416.506	5.442	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)C[C@H](CC#N)c2ccccc2)ccc1Br	431131192	ZLRMCEYVBQUALW-RXVVDRJESA-N	411.343	5.509	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1)c1ccc(C#N)cc1	431840984	BYQWRHOXIWALEM-CYBMUJFWSA-N	411.477	5.115	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	432327436	SRSGUBIPVQQATF-CQSZACIVSA-N	411.914	5.436	30	20	HKED	
Cc1cccc(C2(CNCc3cn(CCC#N)nc3-c3ccncc3)CCCCC2)c1	433318528	LOTLIAAOLRFTBJ-UHFFFAOYSA-N	413.569	5.159	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccn(C3CCCC3)n2)cc1	433338969	YHIQBUITHJMMLZ-UHFFFAOYSA-N	416.550	5.092	30	20	HKED	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	435097696	HWSFJAXCHSTMMQ-JLGINSKQSA-N	403.526	5.517	30	20	HKED	
N#CCCn1ncc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1-c1ccccc1	436260309	GZSCTBRRZUPLMT-DEOSSOPVSA-N	418.500	5.256	30	20	HKED	
N#CCc1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1	437621170	ONXGRTKLWRSVBB-UHFFFAOYSA-N	401.432	5.748	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(COCc2ccco2)c1	437767842	AFBGAQUFBGVCIQ-ZEQRLZLVSA-N	415.493	5.300	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cc(Br)cc1F	438638940	ZZCHLGMJYYOSOE-UHFFFAOYSA-N	408.246	5.041	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1sc(C)c(C)c1C#N	438977115	JHESPJMQCZQOQW-UHFFFAOYSA-N	406.294	5.759	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)CC1	463993132	DYRGAMOQHKCHFX-UHFFFAOYSA-N	401.869	5.161	30	20	HKED	
CCS(=O)(=O)c1ccccc1Oc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1	465402909	LKJAAXOEZGEZBG-KRWDZBQOSA-N	406.507	5.317	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCCCC[C@H]1/C=C/c1cccs1	466617905	KMRIBGDFDFVLSB-DXRVJIQQSA-N	410.543	5.316	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	467993867	JGPZYCJIAQEJFT-ZHAHWJHGSA-N	422.291	5.291	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)on2)c1	469193385	CRVFZUITLVSDKI-UHFFFAOYSA-N	424.287	5.450	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1csc(-c2ccc(Br)s2)n1	471158169	XOOZZDFYFUXNHH-UHFFFAOYSA-N	412.378	5.179	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	471251755	RZFLTIABMGEZCW-BLLLJJGKSA-N	423.822	5.809	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(-c4ccccn4)no3)c2C#N)C1	474215844	CUTURCPYPQPSJI-ZDUSSCGKSA-N	406.511	5.073	30	20	HKED	
Cc1cc(NC(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)nn1CCC#N	474979542	SZWSIXUGINHOSS-UHFFFAOYSA-N	415.284	5.118	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cs1	479278138	DFTHEJIFIXHDPK-HXUWFJFHSA-N	407.470	5.232	30	20	HKED	
Cc1ccc2c(N3CCC[C@@H](c4nccs4)C3)c(C#N)cnc2c1Br	479963935	YLWKUSPRKWIALY-CYBMUJFWSA-N	413.344	5.018	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(Oc2nccc(C)n2)cc1)c1ccc(F)c(F)c1	481059091	MBQFOTYYDLRDPR-HXUWFJFHSA-N	410.424	5.294	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	482655681	DGLSIZNJTILGCM-UHFFFAOYSA-N	412.864	5.550	30	20	HKED	
CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	483444023	MTLJSQPWIIADGA-FGZHOGPDSA-N	409.555	5.127	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1nc2cc(Cl)ccc2s1	485409253	ICGJEFRZAFGGBF-UHFFFAOYSA-N	417.966	5.015	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3)CC(=O)C2)cc1Cl	485709258	JYAKZFVNHMAZBE-JOCHJYFZSA-N	414.892	5.235	30	20	HKED	
CC(=O)c1cc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F	486788019	QTLQHAFVKJSYPH-OAHLLOKOSA-N	422.300	5.472	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)c1C	487469814	GQXFBZDGSODUJW-DEOSSOPVSA-N	400.526	5.217	30	20	HKED	
C[C@@H](SCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Br)c1	487925405	AGZUONHMHSXYDB-GFCCVEGCSA-N	400.301	5.365	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc(OC(F)F)c(OC)c3)o2)cc1	489765772	XJXOSJXEEZFALG-UHFFFAOYSA-N	420.437	5.204	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(I)cc1	489775652	HNBHPTDPMMDPNE-UHFFFAOYSA-N	419.306	5.324	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	491360917	YTPHAAKOFVVIOR-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc(C(F)(F)F)ccc1F	500252045	XLZXRSBPTQXWFD-UHFFFAOYSA-N	413.264	5.567	30	20	HKED	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	501098763	BMULCCMKGDDNEC-UHFFFAOYSA-N	423.567	5.052	30	20	HKED	
C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501476014	UBGSIGCHPCETDN-GOSISDBHSA-N	402.519	5.451	30	20	HKED	
C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](c2ccccc2)O1	502779368	QPXORYNTZPHBCC-PGRDOPGGSA-N	414.530	5.312	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	502790543	NLTUFABPNPALAF-STZQEDGTSA-N	417.578	5.197	30	20	HKED	
COc1ccccc1SC[C@H](C)CNC(=O)c1ccccc1-c1ccccc1C#N	505095564	YXAIGPQOVHPEHL-GOSISDBHSA-N	416.546	5.392	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1	505317832	ABPGGDWFUZACCD-NRFANRHFSA-N	410.395	5.279	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([C@H]4CCCOC4)cc3)n2)cc1	505432650	BXCPEDXPBJVZEU-LEWJYISDSA-N	402.519	5.503	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C1CC1	507007656	KUOFGUANZGEHFK-UHFFFAOYSA-N	400.482	5.333	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)cc1Cl	510056964	QRAFNAJNRAUPTN-UNMCSNQZSA-N	422.960	5.088	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510692749	HUYRMRUQYGNIOV-UHFFFAOYSA-N	401.441	5.710	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1	510988523	ZKSGUUSYPIMVRT-MRXNPFEDSA-N	413.468	5.004	30	20	HKED	
Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511355338	NGOKZTMCRQABHO-HXUWFJFHSA-N	413.521	5.393	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1OC	515901468	SJKQAXOPUUBTLT-UHFFFAOYSA-N	420.431	5.131	30	20	HKED	
C=CCN(C(=O)[C@H]1CCCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	516071636	NGHQRUCSUKAUEF-FQEVSTJZSA-N	419.506	5.357	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc12	516186036	AAXVAMIVLAKJMS-UHFFFAOYSA-N	417.494	5.069	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)o2)c(C)c1	517455387	FGNQNYUZTYDDRV-QGZVFWFLSA-N	420.534	5.980	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)oc12	518169915	VGPUYQMXZDODAT-JKSUJKDBSA-N	423.538	5.966	30	20	HKED	
N#CC1(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)CCCC1	518232803	XAQGHJNEPLQLKP-UHFFFAOYSA-N	402.498	5.232	30	20	HKED	
CCCC(=O)Nc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	518753062	FOFXRUHEGUAOOK-INIZCTEOSA-N	410.543	5.141	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)c1	518902856	HLWHQVUGAYGADB-VWLOTQADSA-N	402.469	5.152	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccc(C#N)cc1	519176000	NACWPJYFKFNFFP-VBKZILBWSA-N	420.513	5.259	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	520800731	LYCXGLKMKHRFFC-UHFFFAOYSA-N	421.758	5.453	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OC2CCCCC2)cc1	522224763	CLPBOPCOTIOCFF-UHFFFAOYSA-N	403.526	5.168	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[nH]c12	522830678	OJWHMMCAUJTRAN-GOSISDBHSA-N	410.408	5.164	30	20	HKED	
N#C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C1CCCCC1	524535482	GSHOIJGNECCEAY-LJQANCHMSA-N	413.930	5.256	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1Cn1cnc2ccccc21	534478114	UJLYAZSRSVMIOD-ROUUACIJSA-N	419.554	5.127	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc([C@@H]2CCCO2)s1	535531942	DVUAIIHALICTGT-FQEVSTJZSA-N	421.497	5.161	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	538043167	CUTGTZGJOKSTAJ-XLIONFOSSA-N	412.518	5.300	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1)c1ccccc1	548610854	IPGCEGHYVWWJML-UHFFFAOYSA-N	417.896	5.060	30	20	HKED	
N#Cc1ccc2ncc(CN[C@H](c3ccccc3)c3cc(Cl)ccc3Cl)n2c1	551552741	QTETWELSGFNFBI-JOCHJYFZSA-N	407.304	5.392	30	20	HKED	
C[C@](C#N)(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C1CCCCC1	555904615	OEXJTBZBKXGQSI-OAQYLSRUSA-N	415.946	5.246	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	557084118	LGIMGIOLOAGTCJ-DEOSSOPVSA-N	413.477	5.728	30	20	HKED	
CO[C@H](c1noc(-c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1)C1CC1	565545454	VNDDGIOKCDODIN-SFHVURJKSA-N	424.526	5.173	30	20	HKED	
N#Cc1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(C(F)(F)F)c1	571457149	QTVBMSMIQPTZDP-ZDUSSCGKSA-N	419.394	5.432	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)n1	571726776	FWGUPMHEFFBLIG-NHCUHLMSSA-N	402.523	5.107	30	20	HKED	
COc1ccc([C@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2Cl)c(C)c1	579032856	WGKIQWLLUWEUMT-DEOSSOPVSA-N	416.912	5.056	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc2cc(F)ccc2s1	592973259	BOYWLADRFYNUAK-AWEZNQCLSA-N	406.463	5.546	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4sccc4s3)c2)c1	604182180	VMCODUPWXUFFNR-UHFFFAOYSA-N	403.488	5.339	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	604270915	ZQDVGPXUXJRCLW-DTORHVGOSA-N	410.236	5.181	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(CCC#N)CC(C)(C)C	609191952	JMUNDWAWZYBSNK-UHFFFAOYSA-N	421.372	5.127	30	20	HKED	
CCOc1ccccc1CN(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609306349	HUKQMEYXNKKMOF-UHFFFAOYSA-N	404.441	5.161	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCc2sccc2C1	609338684	CDRJDOCFFNKHFG-UHFFFAOYSA-N	403.507	5.701	30	20	HKED	
CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	609376846	KINRMXYMCORVTL-QGZVFWFLSA-N	409.555	5.063	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1ccccc1	609404060	RPXZBNLBYREPKO-MOPGFXCFSA-N	423.582	5.267	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCCc2cccc(F)c2)cc1	609469205	NFHCPZAAQWMRJU-UHFFFAOYSA-N	417.484	5.225	30	20	HKED	
N#C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1ccccc1Br	610293791	BKFVQPDFMQBXAU-FQEVSTJZSA-N	424.273	5.008	30	20	HKED	
N#Cc1cc(Cl)ccc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F	610654793	DCBNNSWXEGAZMY-UHFFFAOYSA-N	405.228	5.615	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C[C@H]4CCOC4)C3)cc2)cc1	611357606	NCUZUCUUTRHFAR-WOJBJXKFSA-N	405.498	5.021	30	20	HKED	
N#C[C@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc2ccccc2s1	613289554	HZNVCTNPTLMXLU-SECBINFHSA-N	403.315	6.308	30	20	HKED	
O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157942	PHCZQPMOXWIAIK-ITGUQSILSA-N	421.303	5.274	30	20	HKED	
C=CCN(C(=O)CCc1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	642760127	WPCCEVPJSMBUFM-UHFFFAOYSA-N	418.349	5.664	30	20	HKED	
C=C(CNC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1)c1ccccc1	672480340	MKMNAUNZMMXFLC-UHFFFAOYSA-N	416.546	5.169	30	20	HKED	
N#C[C@H](C(=O)c1occc1Br)c1nc2cc(C(F)(F)F)ccc2s1	674407719	BOTKRCWQZIWMSZ-MRVPVSSYSA-N	415.190	5.161	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c1	726572777	NWCZRMZNQNKTMV-UHFFFAOYSA-O	415.538	5.108	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4cc(Cl)ccc34)n2)cc1	727954972	XIIREAXTHZDJIQ-SFHVURJKSA-N	405.910	5.672	30	20	HKED	
C#Cc1cccc(N2C(=O)/C(=C/c3csc(-c4cccs4)n3)SC2=S)c1	728610825	NYESTWRHRJLWHW-YBEGLDIGSA-N	410.570	5.259	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccccc1S[C@@H](C)CC#N	731332551	OFYATYRVGLJDIG-HNNXBMFYSA-N	424.957	5.540	30	20	HKED	
C[C@H](Nc1cccc(COc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2	732917560	XQTZFEZAVUGJII-INIZCTEOSA-N	417.534	5.127	30	20	HKED	
C[C@@H]1CCC[C@@H](OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	733052115	GCDFKAOSKRKBMJ-XPKDYRNWSA-N	423.365	5.888	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1	735100326	KKYVDZTXAOXSAG-IRLDBZIGSA-N	419.550	5.212	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2OC(C)C)c1	735753274	PHVQOBSGIGMVHK-INIZCTEOSA-N	401.894	5.130	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Cl)c1	737325683	FSWJMQPJYQKFHN-AWEZNQCLSA-N	416.880	5.896	30	20	HKED	
Cc1cccn2c(/C=C\C(=O)c3ccc(Br)cc3Br)cnc12	741469875	YNMORTFOCFFMKE-ALCCZGGFSA-N	420.104	5.064	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc2c(c1)COC2	742437024	QDQQTDRRBKXKRA-CMDGGOBGSA-N	413.304	5.473	30	20	HKED	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	743238475	QRGFVSBVSFLHKF-CQSZACIVSA-N	421.428	5.087	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	744027696	BJICZELDXHUFGY-ZCNNSNEGSA-N	423.299	5.598	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c[nH]c3c(C)cccc23)cc1	744033694	VHTYRXSGGNEGNW-ZHRRBRCNSA-N	401.510	5.270	30	20	HKED	
Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccccc3-c3ccccc3C#N)o2)c1	746244765	FMRVLFZDGPWWEW-QGZVFWFLSA-N	409.445	5.502	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cc(Br)c1O	749452762	NMSWXSIKMONDKD-ZZXKWVIFSA-N	404.235	5.070	30	20	HKED	
CC[C@@H](C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	750683950	JXKDKMJOFPBELM-ACJLOTCBSA-N	418.465	5.140	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)s1	750690260	ORPSTFIVFNRMQC-SCZZXKLOSA-N	414.861	6.010	30	20	HKED	
C[C@@H](Oc1cccc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)c1)C(=O)O	750916694	OLGWRHGNOKPLJL-CDCQXCROSA-N	404.434	5.066	30	20	HKED	
N#Cc1ccc(/C=C2\CC3(CCOCC3)C/C(=C\c3ccc(C#N)s3)C2=O)s1	751516356	ACUUBTRAEHYNPU-KAVGSWPWSA-N	406.532	5.180	30	20	HKED	
CCOc1ccc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2cccc(Cl)c2)cc1	752104345	LHTUZHQDQDVEAZ-AVRWGWEMSA-N	420.940	5.909	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2sccc2-c2ccc(F)cc2)cc1C#N	752203484	FMYGPRIWBDHMDG-UHFFFAOYSA-N	409.442	5.247	30	20	HKED	
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1cc(Br)ncc1F	762419607	BCZRMWXYFOAVDT-NSCUHMNNSA-N	405.050	5.195	30	20	HKED	
Cc1nc([C@H](C)OC(=O)[C@H](C)Oc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	763896278	MIFKYVMZZJPIQR-GJZGRUSLSA-N	410.857	5.247	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)OC[C@H](C#N)Cc3cccs3)ccc21	772743132	QQMWJVKVPSZJCZ-ZDUSSCGKSA-N	421.444	5.237	30	20	HKED	
COc1ccc(CN[C@@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc1C#N	773084604	UQCZHTAXVRKILN-ZDUSSCGKSA-N	415.324	5.219	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ccc4ccccc4c3)n2)cc1	776084343	LLGPICFVRFZNRF-QHCPKHFHSA-N	421.525	6.034	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)cc1	778298223	OPXAZSJBBMUGML-NRFANRHFSA-N	420.852	5.102	30	20	HKED	
C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1	778416501	JPOVRESTPOMOKN-QFIPXVFZSA-N	420.534	5.539	30	20	HKED	
Cc1cc(C#N)ccc1NC1CCC(OC(=O)Cc2coc(-c3cccs3)n2)CC1	779236349	ZCJNIFIWDXENJP-UHFFFAOYSA-N	421.522	5.092	30	20	HKED	
N#CCOc1cccc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1	779588312	KGBCMXCBZCIVLM-UHFFFAOYSA-N	409.829	5.555	30	20	HKED	
COc1cc(CNc2ccccc2O[C@H](C)C#N)cc(OC)c1OCc1ccccc1	779988851	KVZYIMPCJNTYOP-GOSISDBHSA-N	418.493	5.186	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1csc(-c2cccc(Br)c2)n1	779989563	WHGOCAVTYNJKNF-CYBMUJFWSA-N	414.328	5.476	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F	780168103	AGTJFWNHXUDPMI-CQSZACIVSA-N	424.451	5.126	30	20	HKED	
CC(=O)Nc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1	781584940	DNEPTSPNBBQGDH-UHFFFAOYSA-N	419.485	5.292	30	20	HKED	
C=C[C@](C)(CCOC)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	783069710	LDKALZZBVZTKHE-IFXJQAMLSA-N	409.338	5.522	30	20	HKED	
CC(=O)N(c1nc(C=NN2CCC(C(C)(C)C)CC2)cs1)c1ccc(F)cc1F	790178912	ODZKXUQUDIFNOG-UHFFFAOYSA-N	420.529	5.198	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CSCc2coc(-c3ccccc3)n2)s1	797568864	XBLXFCDGHRUXKM-MRXNPFEDSA-N	411.552	5.205	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3csc(C)n3)cc2)cc1	799604013	RJEIICLLGPGXLA-YCRPNKLZSA-N	417.534	5.593	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1	813218132	MHEGUPBQRRYHDI-NHYWBVRUSA-N	400.322	5.489	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc([N+](=O)[O-])c1Cl	813244944	CABFNDXNEUGKAL-UHFFFAOYSA-N	400.740	5.084	30	20	HKED	
CC(F)(F)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	816050199	IOJHTDRMOLWMHE-QMMMGPOBSA-N	403.191	5.099	30	20	HKED	
C=CCCC[C@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	883978419	NHPNGHVBJGCQRD-BBWFWOEESA-N	407.398	5.716	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1	915350286	PUOKQPBEFRCKQH-FTJBHMTQSA-N	424.548	5.128	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1	915354058	UIJRQNZPDBLFGM-ZEQRLZLVSA-N	415.468	5.087	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915359011	HXTMCFMBZMWZAS-CLOONOSVSA-N	413.521	6.012	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1Cl	916057646	UZSVNRWVWOHNGA-MRXNPFEDSA-N	416.695	5.950	30	20	HKED	
CCCCCCCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F	916069982	YCXFLURCEMHTDA-KRWDZBQOSA-N	400.441	5.122	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2ccc(N3CCCCC3)cc2)cc1	916546575	ZHWIUUFLKGVUMX-UHFFFAOYSA-N	411.962	5.096	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc2ccc(OC)cc2)cc1	916949931	QHCAXFOFTUOMEH-QYWGDWMGSA-N	410.539	5.037	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(OC)cc1	916951762	BRCOTYYEEVHKLL-DDAIRQTISA-N	416.477	5.145	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c(C)cccc12	920111553	MZPFMXXTPJLIHO-INIZCTEOSA-N	401.249	5.318	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3coc4cc(C)ccc34)n2)cc1	920141828	IDCXAERQJGZPKX-LJQANCHMSA-N	402.475	5.292	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)n2)cc1	920142588	QUUXZYHIGOKOAH-HRCADAONSA-N	403.429	5.227	30	20	HKED	
CSc1nc(O)c(C(=O)N(c2ccc(Cl)c(Cl)c2)C2CCCC2)cc1C#N	1588121360	CNLXNYKQUHALNY-UHFFFAOYSA-N	422.337	5.277	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(C)cc(OC)cc4C)CCC3)cc2)C1	1785810146	BNVNAKWOZNFWSH-UHFFFAOYSA-N	418.537	5.026	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1	1790838843	OZAABHLBADVIEX-UHFFFAOYSA-N	419.912	5.212	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1824143904	UWEMEIHPPZXCDO-DKUDOZJNSA-N	412.618	5.121	30	20	HKED	
Cc1sc2ncnc(SCC(=O)c3cn(CCC#N)c4ccccc34)c2c1C	5884715	SRDAPPDFKIJDHD-UHFFFAOYSA-N	406.536	5.152	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)cc1C	6367090	QRGHIFBZEQJPHY-UHFFFAOYSA-O	411.550	5.795	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1c(C)cccc1C	11153556	ACTXSUDWWYADCW-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
COc1cc2c(cc1NC(=O)c1ccccc1-c1ccccc1C#N)oc1ccccc12	18115642	AKQFOOMZXWZAHQ-UHFFFAOYSA-N	418.452	6.386	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	31434588	SZKUGZWDDSCSBB-GOSISDBHSA-N	423.516	5.525	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1Cl	303291681	BFKGEZVWNOQWLU-KGLIPLIRSA-N	422.381	5.677	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(F)cc1C(F)(F)F	429056072	PGEKNKVLIVRLDV-UHFFFAOYSA-N	414.358	6.069	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc3c(F)cccc3c2)cc1	431350053	JUPMHKMEAJIXQJ-UHFFFAOYSA-N	411.436	5.271	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)s1	433522295	ZTBUGYAUZYRFDH-CQSZACIVSA-N	400.573	5.257	30	20	HKED	
C=CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1ccccc1	435295108	BJGBPQMUQHMUKS-GOSISDBHSA-N	416.974	5.077	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c(Cl)c1	437577922	IVDGDGVDQSEMQL-WBVHZDCISA-N	405.832	5.245	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)n1	438115810	IAFGRQVMTGEVQX-SFTDATJTSA-N	402.523	5.422	30	20	HKED	
N#Cc1ccc(CNc2ccc(Cl)cc2NC(=O)c2ccco2)c(OC(F)F)c1	439563374	WPIAVFXDDOKMRP-UHFFFAOYSA-N	417.799	5.270	30	20	HKED	
Cc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C	446299012	WYPMSVRYDYDMMV-OAQYLSRUSA-N	417.896	5.190	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC1CCN(Cc2ccc(C#N)cc2)CC1	463241014	ZANIKGGAXLMORU-JOCHJYFZSA-N	401.476	5.114	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(C#N)c2)nc1-c1ccccc1	463648777	JMOLRXJWTDHTJM-FQEVSTJZSA-N	402.454	5.586	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ncc(-c2ccccc2Br)o1	464817147	VGSGPDSHWLRVQG-AZUAARDMSA-N	422.326	5.376	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	465029405	QPCRUZGTJWCZRD-FQEVSTJZSA-N	414.505	5.375	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCc2cc(C#N)ccc2F)cc1	466198201	SWCBBTQBQBHOEY-QGZVFWFLSA-N	417.484	5.276	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(Oc4ccccc4C#N)cc3)o2)cc1C	467403409	WHPBQHURKKQYDX-GOSISDBHSA-N	410.477	6.191	30	20	HKED	
Cc1ccc(NC(=O)c2cc(C#N)cs2)cc1Oc1ncccc1Br	468611769	WCDQXHIVWAEGGF-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)s1	468788917	BIEFRWVUKLOFMN-ZDUSSCGKSA-N	418.360	5.267	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccccc4F)s3)ccc21	469186819	PWYMMFOUTYNVPB-UHFFFAOYSA-N	419.525	5.749	30	20	HKED	
C[C@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H]1c1cccc(F)c1	472345774	FPYLGSFMVZQFCB-MFEFFIJZSA-N	411.546	5.242	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)c(Br)cc1C	473868530	YJYKCHODFYIICO-UHFFFAOYSA-N	422.254	5.025	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)c2cccs2)c1	476082892	YSQZJHIPMKZYSQ-UHFFFAOYSA-N	404.535	6.105	30	20	HKED	
C[C@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccc(C#N)cc1	476325837	SHIFTLJOYJUDBR-AOMKIAJQSA-N	417.488	5.085	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(-c2nccn2CCCC)c1	477966018	MYAJFXWGJQFBFN-UHFFFAOYSA-N	413.525	5.442	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NC3(c4ccccc4)CC3)cc2F)c1	481571588	OTGFPZWUWOKSPS-UHFFFAOYSA-N	401.441	5.087	30	20	HKED	
COCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CC[C@H](C)C1	484202596	ZFJHGJZCYWXYTA-UGKGYDQZSA-N	421.541	5.001	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccccc2[nH]1	484860373	BRETXPIMAJWFMH-INIZCTEOSA-N	412.518	5.218	30	20	HKED	
C[C@H](Sc1nc2ccc(Cl)cc2o1)C(=O)Nc1sc2c(c1C#N)CCC2	486818840	BZQWZYPAEFWRDU-VIFPVBQESA-N	403.916	5.022	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](CCCC#N)c1ccccc1	487512915	IPRSXGSUEZGVMX-HSZRJFAPSA-N	420.944	5.236	30	20	HKED	
Cc1ccnn1-c1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	487993873	BWUHLBFZCRLCQY-UHFFFAOYSA-N	424.479	5.034	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cccs1	489406730	SKROEVVVUDAYOM-HNNXBMFYSA-N	423.567	5.713	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(C)cc1	489662407	SYGPTYYQZQQINF-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1	490038202	YJACLIDXZBHUOY-UHFFFAOYSA-N	407.926	5.555	30	20	HKED	
CCn1c(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)nc2cc(C#N)ccc21	490767513	GHLDROUECWLFIP-UHFFFAOYSA-N	417.856	5.021	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1	495078484	JOZZZJFYBJPYGU-PKTZIBPZSA-N	418.443	5.319	30	20	HKED	
N#CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1	495549272	VGNRDORLTOKVTP-UHFFFAOYSA-N	402.306	5.216	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(CC#N)c3ccccc3)cc12	497903150	KMDVHAOXOHRSEB-UHFFFAOYSA-N	406.898	5.219	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc2n1	498702990	SKHZSYALGCYXHA-MRXNPFEDSA-N	404.420	5.593	30	20	HKED	
CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	498822949	HAGJNOQHCHDLJP-UHFFFAOYSA-N	405.429	5.314	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1nccc2ccccc12	498981278	WOJDBSLTJWBSNU-LJQANCHMSA-N	405.885	5.485	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)cc2OC)c2ccccc2Cl)c(OC)c1	500880293	JYEFPQVOYWOTPX-XMMPIXPASA-N	422.912	5.117	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ncccc3-c3ccccc3)c2)cc1	504548340	QGRBWQVUJCYWEO-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)[nH]c12	505982756	SWTUSJXARIULHS-IBGZPJMESA-N	405.461	5.009	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510677376	CKZJKVLRGXKTSU-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
CC(C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cc(F)cc(C#N)c1	510843386	VIWNFAAHPHPMJD-UHFFFAOYSA-N	413.452	5.064	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2o1	511914020	IANTULVCUKPXJS-CYBMUJFWSA-N	424.243	5.812	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C(C)(C)C)cs1	513238996	STEBKHPOLQOXCF-MRXNPFEDSA-N	419.550	5.382	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4ccccc4)CC3)s2)cc1	515217832	BZGLBUYSCJARQB-UHFFFAOYSA-N	402.523	5.017	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sccc1OC(F)F	517929577	SFHLNVLNQDIQLQ-UHFFFAOYSA-N	400.406	5.574	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1ccccc1OC	518259410	KSUYQZRTYZKCTJ-QZTJIDSGSA-N	411.571	6.095	30	20	HKED	
CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	518388668	ZRXDQOHYHOKRBF-UHFFFAOYSA-N	424.504	5.126	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518728001	BNCFHQDMLBMAQB-UHFFFAOYSA-N	409.445	5.495	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	520834354	ZTGIFRBAYGDQJO-OAHLLOKOSA-N	421.488	5.767	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccccc1C(F)(F)F	520854115	DNCQLONPEOKRJB-AWEZNQCLSA-N	407.461	5.321	30	20	HKED	
COc1ccc(-c2nc(CN(Cc3ccc(C#N)cc3)CC(C)C)cs2)c(OC)c1	521195704	PLBPQGFNUUJYHR-UHFFFAOYSA-N	421.566	5.357	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cc(-c2cccnc2)on1	521459640	DESUZWHKVPGFER-UHFFFAOYSA-N	414.852	5.109	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1	521714245	LIIPDBYPAYLRQJ-NRFANRHFSA-N	410.832	5.118	30	20	HKED	
Cc1ccc(Br)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	521842071	IHQDWMWDEJMULI-UHFFFAOYSA-N	400.320	5.319	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(CC)o2)nc2scc(-c3ccccc3)c2c1=O	521959733	ROHIVDMQRCWQIC-CYBMUJFWSA-N	424.551	5.110	30	20	HKED	
C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccsc1	523115131	VFKZHRBFKOCNFQ-LLVKDONJSA-N	421.469	5.428	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1occc1-c1ccccc1	524140746	OAJUTKXXCZRGAX-UHFFFAOYSA-N	408.457	5.958	30	20	HKED	
C[C@H](Oc1ccccc1Br)C(=O)Nc1sc2c(c1C#N)CCCCC2	524161937	KAWKJWIVLBBNQS-LBPRGKRZSA-N	419.344	5.057	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	524604387	NXFXKECRJFIJTE-VXKWHMMOSA-N	416.452	5.027	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCSc4ccccc43)c2)c1	525134659	CHWNNQNZGVHTTH-NRFANRHFSA-N	413.502	5.029	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)cc1	525446832	DXFVETDVRDLDKK-OAQYLSRUSA-N	421.485	5.310	30	20	HKED	
CCCC(=O)Nc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1C	532897693	QXVNUEOBEATTGU-UHFFFAOYSA-N	413.521	5.796	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1c(C)cccc1-c1nc2cc(F)ccc2n1C(C)C)OCC	533763253	YCJICLJCNGOHJX-JOCHJYFZSA-N	423.532	6.042	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	534106062	SJITWTGWSLBVIU-GUYCJALGSA-N	424.957	5.998	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cnn1CC(C)C	534469793	UBHHDDXANOELAC-UHFFFAOYSA-N	402.498	5.326	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)cc1	535489782	RBJWNNVZDXAFFY-UHFFFAOYSA-N	403.511	5.108	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)cc2)c1	536814305	FKNRXAVKNPSTKY-RDPSFJRHSA-N	413.477	5.250	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1	538819980	KHFWRPAPMTXVBW-UHFFFAOYSA-N	408.914	5.091	30	20	HKED	
CCC(CC)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1C	539540976	XMDMKZXKARIMHM-UHFFFAOYSA-N	402.498	5.256	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C)n([C@H](C)C2CC2)n1	539628804	NTYXANXWQOFIBW-QGZVFWFLSA-N	400.482	5.387	30	20	HKED	
C[C@@H](NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1cccc(C#N)c1	540596907	YQBZECILPZKTHU-HXUWFJFHSA-N	413.521	5.207	30	20	HKED	
CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	541066040	YWGRCKMTHYLMKW-KRWDZBQOSA-N	412.493	5.375	30	20	HKED	
Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(-c2ccccc2)o1	546155496	DPXCIPDZMQRLNA-CQSZACIVSA-N	421.428	5.542	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(COC3CCCCC3)c2)CC1	548857671	XSCIUOFGXMYPNQ-UHFFFAOYSA-N	418.541	5.020	30	20	HKED	
C=C1CCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2CCCOCC)CC1	549363311	WRDJRGHOAVPPJZ-HXUWFJFHSA-N	420.557	5.154	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3ccc(-c4nc5ccccc5s4)o3)CC2)cc1	550839965	GKWMGJIOHUXNRP-UHFFFAOYSA-N	414.534	5.187	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1Cl	553208257	WRSRCTCOVUTCFG-UHFFFAOYSA-N	407.695	5.322	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)cc1	564257606	WWMUFGXXYXUWSV-UHFFFAOYSA-N	412.280	5.083	30	20	HKED	
N#CCCn1cc(CN2CCC(=Cc3cccc(F)c3)CC2)c(-c2ccccc2)n1	568933781	SXTGZQJAWVTZBF-UHFFFAOYSA-N	400.501	5.282	30	20	HKED	
C[C@H](C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)c1cccc([N+](=O)[O-])c1	571238807	MJGJRPDNICKNCA-ZDUSSCGKSA-N	403.463	5.036	30	20	HKED	
C[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	573874080	QDSPKCWZAJIEOP-VFNWGFHPSA-N	419.868	5.646	30	20	HKED	
C=CCOc1ccc(CNC(=O)c2ccccc2SCc2c(C)noc2C)cc1	579990316	XVLFWIJLPXMUCV-UHFFFAOYSA-N	408.523	5.079	30	20	HKED	
O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1c(F)cc(C(F)(F)F)cc1F	582635301	VKGDAPNSDBPCCC-UHFFFAOYSA-N	410.220	5.396	30	20	HKED	
CC(C)(C(=O)N1CCC[C@@](C)(C#N)C1)c1csc(-c2c(Cl)cccc2Cl)n1	586806849	PDPRBOWEYJHUKK-FQEVSTJZSA-N	422.381	5.547	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OC(F)F)cc1	603691774	CCRCTTPSNVJWDI-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
Cc1sc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c(C#N)c1C	603728979	YKBOOAYMVGYZDJ-UHFFFAOYSA-N	409.559	5.420	30	20	HKED	
Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cnn1-c1ccc(F)cc1	603968975	QMSFVKNUUBTSOX-UHFFFAOYSA-N	402.454	5.172	30	20	HKED	
N#Cc1c(NC(=O)c2csc(Br)c2)sc2c1-c1ccccc1CC2	603992299	ORQNAHSNQKXIMK-UHFFFAOYSA-N	415.337	5.462	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cnc(-c4ccccc4F)s3)cn2)c1	604430774	DNFHSWKZPMLQCW-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4nc(C)cs4)c3)n2)cc1	607008941	FQHLNUPPWWMMLD-LJQANCHMSA-N	415.543	6.041	30	20	HKED	
Cc1ccc(C(=O)C2CCN(c3c(C#N)cnc4c(F)ccc(F)c34)CC2)c(C)c1	607949042	SUQQSBCARAJIGY-UHFFFAOYSA-N	405.448	5.101	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3scnc3-c3ccccc3)o2)cc1	609059147	BNWSTUKFUQJQRU-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
CCCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1C#N	609285795	FEZTTZIKVOJSKZ-CYBMUJFWSA-N	403.891	5.044	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N	609385698	KOTDFSYZPYUHCA-NQIIRXRSSA-N	423.582	5.113	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	609436998	JFEJCLXMERZFAY-AVRDEDQJSA-N	421.610	6.747	30	20	HKED	
CSCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)oc2ccccc12	609627539	BZOXCCCBWGENKD-OAHLLOKOSA-N	405.504	5.304	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609928366	SDBCDYJPLMLGPD-VQIMIIECSA-N	416.456	5.295	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	610051906	XPFJFSNXMPYRTJ-FQEVSTJZSA-N	416.502	5.129	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)cc2)c1	610174141	MPMKJNPJRAUFNK-NHCUHLMSSA-N	404.416	5.158	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc12	610290493	PYCBVCKANQHYEQ-UHFFFAOYSA-N	417.494	5.069	30	20	HKED	
CC(C)OC1CCC(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	611849026	JRVAXLINZVQUFZ-WZFBRQLOSA-N	405.542	5.322	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)cn2)c1	619725957	RHDMEEIUIWRVBP-DHIUTWEWSA-N	422.488	5.598	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@](C)(C#N)C1	619834370	TYPONLQSKUJXHS-UQBPGWFLSA-N	415.541	5.277	30	20	HKED	
O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	679383654	HJZREOQYDMLVBH-BZUAXINKSA-N	424.360	5.144	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCCC2	685470373	PZCBEYNIBAKHAZ-HOTGVXAUSA-N	406.473	5.363	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc(-c2ccccc2)cs1	727954706	SBTFEDBMTANTEL-DGXIYAMASA-N	414.530	6.021	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1nccn1CC(F)(F)F	728699759	VZEMXOMWSOROJD-SREVYHEPSA-N	411.836	5.427	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@H](c2cccc(F)c2)c2ccccn2)cc1OC	729193391	LIDBKKCWYWPFGB-CVJKAFSHSA-N	419.452	5.140	30	20	HKED	
N#CCn1c(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc2ccccc21	729766901	NDGGLKZJUDMELD-UHFFFAOYSA-N	407.882	5.299	30	20	HKED	
Cc1cc(OCCCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1Cl	730418551	XLFGTEIVHHMLCA-OAHLLOKOSA-N	402.878	5.433	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730422018	RWWBCZLWQXKWIW-XMSQKQJNSA-N	418.518	6.145	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2o1	730689266	CYQSNQGIYJLPSB-OPAMFIHVSA-N	404.372	5.103	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3F)cc2)nc1	731969926	WOMIZPSBUYFUQV-UHFFFAOYSA-N	409.420	5.804	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	732494837	OIDCWVKGDIUXCY-SUMWQHHRSA-N	420.506	5.077	30	20	HKED	
C#CCN(Cc1coc(-c2ccccc2)n1)[C@H]1CCOc2ccc(Br)cc21	733613680	GZFIEYYJJUZAQC-FQEVSTJZSA-N	423.310	5.063	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2cscn2)c1	733770375	HQVLJJSPKCOHAI-GOSISDBHSA-N	423.563	5.046	30	20	HKED	
C=CC[C@@H](NC(=O)N(CCC)[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccncc1	734680756	UWQCCVXZNKIXIV-FOIQADDNSA-N	406.357	6.188	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)n1cccc1	735207944	UPRIQAWQMDKRDW-WFASDCNBSA-N	404.322	5.746	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740026408	WBLWWOKNNGNQPD-UHFFFAOYSA-N	419.550	5.211	30	20	HKED	
CC(=NNC1=NC(=O)/C(=C/c2nccc3ccccc23)S1)c1cccc2ccccc12	740872207	JIMPBQAJOVGLQY-VVIWAWFJSA-N	422.513	5.372	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2SCC=C(C)C)ccc1OC	741187532	FVCJXJXXUOVGNL-LJQANCHMSA-N	424.566	5.364	30	20	HKED	
CCCCCCCC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C	741997665	FEADJDCPIWOPSY-DEOSSOPVSA-N	415.599	5.273	30	20	HKED	
Cc1cccc(C2(O)CCN(c3c(C#N)cnc4c(F)ccc(Cl)c34)CC2)c1C	742416096	QEZUFRHVDUOYHM-UHFFFAOYSA-N	409.892	5.004	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1	744037783	DBBHZGYOYXITEZ-IINYFYTJSA-N	408.832	5.948	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc2ccccc2c1	744038297	PSUFGQSENDPOJU-GOSISDBHSA-N	403.432	5.739	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c1	745893353	SFUZLYNZAFABAE-UHFFFAOYSA-N	419.422	5.371	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2	747440163	KOKJODIVYNBOOO-GDNBJRDFSA-N	424.909	5.312	30	20	HKED	
Cc1nnc(-c2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2)o1	748323225	VTCDAXPPMGLECY-UHFFFAOYSA-N	412.474	5.320	30	20	HKED	
CC(=O)N1CCc2cc(-c3nc(NN=Cc4ccccc4Cl)sc3C)ccc21	749261643	IKQYDEDJXQKPEN-UHFFFAOYSA-N	410.930	5.127	30	20	HKED	
CC(C)(C)n1ccnc1SCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	749570025	CYICQMNNEGEGFG-FQEVSTJZSA-N	404.539	5.024	30	20	HKED	
COc1cc(F)cc(NN=Cc2c(C(C)C)nn(Cc3ccccc3)c2Cl)c1	754711738	XBRDKAJYMQVVPT-UHFFFAOYSA-N	400.885	5.302	30	20	HKED	
COc1cc(F)cc(NN=Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1	759210990	WZRKQXAEYZWMNR-UHFFFAOYSA-N	418.881	5.075	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2N(C)C2CCCC2)c1	762226683	UPMDYOJMNACTIU-FQEVSTJZSA-N	406.530	5.068	30	20	HKED	
CCn1c(NC(=S)Nc2ccc(SC(F)F)cc2)nc2cc(C#N)ccc21	763291836	BUJTZRWWJHAYJQ-UHFFFAOYSA-N	403.483	5.051	30	20	HKED	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NCc1ccc(O[C@H](C)C#N)cc1	770525345	UNPFYRGMRBYWHN-WSTZPKSXSA-N	405.542	5.016	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1	775372938	XSIROOCEMVLYKA-ZUOKHONESA-N	403.295	5.120	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@@H](O)c1ccccc1	775562279	MPOGQBRACWHFHU-UPVQGACJSA-N	415.493	5.293	30	20	HKED	
COc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)cc1	776163471	BQXVWJFHJRGZTM-OSPHWJPCSA-N	406.913	5.691	30	20	HKED	
N#C[C@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)cs1	778607789	RHANGFUGRVXBAO-LJQANCHMSA-N	406.482	5.569	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	780149412	IJJZOUAGLOPJRM-INIZCTEOSA-N	422.937	6.175	30	20	HKED	
CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(C#N)cn1	780650894	JPTILDGLPRLKES-UHFFFAOYSA-N	405.329	5.018	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1	780671395	WYTLICFKTVWVBX-HUUCEWRRSA-N	405.420	5.312	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1)c1ccccc1	780678526	OYGQGUCYUREGLQ-MSOLQXFVSA-N	400.482	5.795	30	20	HKED	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C\C(=O)c2ccc(C#N)cc2F)c1	781111856	QSBLXZNTJNMMMG-LUAWRHEFSA-N	403.457	5.221	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@H]2CCCC2(C)C)cs1	782287544	MNMWIRLZTSYXLY-KRWDZBQOSA-N	424.492	5.349	30	20	HKED	
N#Cc1ccccc1CN(C(=S)Nc1ccc(Br)cc1)C1CCCC1	783748733	PRZPFRQZFADQHN-UHFFFAOYSA-N	414.372	5.462	30	20	HKED	
C=CCn1c(C)nn(CN(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=S	789560800	SEGUDINFOFZFSQ-UHFFFAOYSA-N	424.414	5.036	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)OCc1ccccc1C(C)(C)C#N	790748650	AFZBMDKTNMYWOX-UHFFFAOYSA-N	422.525	5.511	30	20	HKED	
N#C[C@@H](C(=O)NC1CC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	796633413	DEUZVKNJFYRZNP-GFCCVEGCSA-N	423.683	5.040	30	20	HKED	
CC(C)(C)OC(=O)N1CCC(N(C(=O)CCCCCC#N)c2ccccc2F)CC1	808447541	PVUPKTQLMUEAAQ-UHFFFAOYSA-N	417.525	5.032	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	808816316	OBPGAAXQOZFKKO-PKTZIBPZSA-N	419.912	5.505	30	20	HKED	
C=CCn1c(Sc2ccc(C(F)(F)F)c(Cl)n2)nnc1-c1ccoc1C	913408857	IBTYGGVXWGUPHM-UHFFFAOYSA-N	400.813	5.251	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccc(F)c(Cl)c2)cc1	915598676	ZZWCMEIZAJTFQX-FQEVSTJZSA-N	408.860	5.542	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1	916913292	PKEISHRPKKNKPY-HSZRJFAPSA-N	421.500	5.213	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)oc2c1ccc1ccccc12	916916480	UDYMLFYTZBDZAO-QFIPXVFZSA-N	418.452	6.009	30	20	HKED	
C[C@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2C1	916927157	DNJVACVXCSCMRT-GXFFZTMASA-N	407.322	5.141	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2nc3ccccc3s2)cc1	916947634	OXUIPBDXCIDVBB-RSRQLZNBSA-N	403.507	5.171	30	20	HKED	
Cc1cccc(OCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C	916976430	OFORFPXLKDTYHH-SFHVURJKSA-N	410.926	5.726	30	20	HKED	
Cc1ccc(C)c(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	920807174	ZFLVWHRBRAOMHD-INIZCTEOSA-N	424.472	5.545	30	20	HKED	
Cc1cc(C#N)ccc1CN(Cc1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1	1191765262	XRGFKWJNKKLGSN-UHFFFAOYSA-N	402.885	5.309	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(C)c(C)cc4OC)cc3)CCC2)C1	1790805043	BRPXTTNMNLURPS-UHFFFAOYSA-N	418.537	5.026	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1	1791589781	CXPGDJBOBHDHFQ-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828349443	CXLUVCGACSOIHT-PKTZIBPZSA-N	414.634	5.345	30	20	HKED	
C=CCn1c(SCc2cc(-c3cccs3)on2)nnc1-c1ccccc1OC	7765859	JAXRCSICJDBRRZ-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(C)c(F)c2)c1	14872428	UCYYEOMETWYLPN-UHFFFAOYSA-O	413.925	5.434	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(CC)cc2)nnc1-c1cccc(C)c1	22010907	JASKICYHNBXUQQ-KRWDZBQOSA-N	406.555	5.121	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(C)c2)c1	22729720	JBSQHDBFAPOTQT-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
C=CCN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2ccccc2)cs1	28909070	XGTOCFFOYAKUTP-OAQYLSRUSA-N	420.534	5.201	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OCC	41556125	ZMTVVAKYKXEKES-MRXNPFEDSA-N	406.404	5.168	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2SC(F)F)o1	55007503	HRGKPXOANWEODE-UHFFFAOYSA-N	400.406	5.297	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2c1C(=O)CCC2	55823924	BKFAWJLHADEZPW-UHFFFAOYSA-N	414.461	5.004	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4)n3)n2)cc1	60043636	GTPDGXRBIBWZIK-KRWDZBQOSA-N	417.515	5.432	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	62414056	ZUGAHEMPWBXGRS-UHFFFAOYSA-N	421.928	5.577	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(O[C@@H](C)C#N)cc3)s2)cc1	237477290	OWHLGDIRDHPKFT-HOTGVXAUSA-N	407.539	5.269	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c(Cl)c1	426126241	GWFHGOBGBCWTFM-QGZVFWFLSA-N	404.695	5.343	30	20	HKED	
Cc1cc(C)c(NC(=O)Nc2cccc(OCCCC#N)c2)c(Br)c1	431988696	YSYKAULVMORSDY-UHFFFAOYSA-N	402.292	5.393	30	20	HKED	
CN(Cc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1	433770378	DVWBTDJTUPQZFC-UHFFFAOYSA-N	410.521	5.391	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCc4sccc43)c2)cc1	433840040	WABPNQHNHWARGR-JOCHJYFZSA-N	402.519	5.452	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc2ccccc2[nH]1	438654059	ZDDWPKPUCAJHDI-CQSZACIVSA-N	415.428	5.249	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1	439436354	GCVBDBICANGAFU-UHFFFAOYSA-N	421.394	5.258	30	20	HKED	
C=CC[C@H]1N(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)CCCC1(C)C	443872141	ZBVHGLHHZFWNKI-XMMPIXPASA-N	418.581	5.285	30	20	HKED	
C[C@H](c1ccco1)N(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1	444398141	SUWVDKAUDLBOIK-OAHLLOKOSA-N	405.429	5.840	30	20	HKED	
Cc1nc(C(F)(F)F)sc1-c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1	463047080	CGBWTPYMVRSBJC-SECBINFHSA-N	411.302	5.598	30	20	HKED	
C=CCN(C(=O)c1c(C)nn(C)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	463292764	ACZCJIVQBXDLPR-UHFFFAOYSA-N	421.353	5.300	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)c1ccc(Br)s1	463748266	JUSDILGTDXHNFY-RYUDHWBXSA-N	409.374	5.647	30	20	HKED	
C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12	464543527	AQDHHYGZKHNKEP-GHTZIAJQSA-N	420.553	5.426	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	465127983	NSXSCZAFUNFHDT-OAHLLOKOSA-N	422.472	5.755	30	20	HKED	
CCO[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C12CCC2	466041830	SAODCWSILBTCAJ-VXKWHMMOSA-N	405.498	5.128	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cn1cc(-c2ccccc2)c(C)n1	468869955	GBSMLEROZAQVLJ-UHFFFAOYSA-N	422.488	5.470	30	20	HKED	
C=CCOc1ccc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl	469135972	OEZFUDVAMVXMIM-UHFFFAOYSA-N	409.917	5.100	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Cl)cc1F	470372259	INRMMTVLPOLUSM-UHFFFAOYSA-N	408.860	5.799	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(Cl)c1	471824034	PPLWBSSMSJKUTP-CQSZACIVSA-N	404.919	5.012	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3ccccn3)cc2Cl)cc1	472555948	MGZWAMQGGRIMRU-UHFFFAOYSA-N	405.841	5.001	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1	475554264	XKOUWKJZZQHCOZ-QGZVFWFLSA-N	405.542	5.770	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	475556953	VJDMLKWOJYGOHT-DEOSSOPVSA-N	419.956	6.498	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC	475577992	KHIXENKSZZGFRW-HSZRJFAPSA-N	420.601	5.452	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	475734014	NCZPPQFPMTYFSA-UHFFFAOYSA-N	417.509	5.206	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CC1CCC1)c1ccccc1	481212123	PFIATUUEVNNGPS-PGRDOPGGSA-N	407.583	5.540	30	20	HKED	
Cc1nc2cc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2o1	483765416	XJTQEGNPGBWCNZ-UHFFFAOYSA-N	414.440	5.381	30	20	HKED	
CCS[C@H](C)c1noc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	485033867	OTXOLVYYWMHYQK-MRXNPFEDSA-N	410.518	5.097	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Br	485249447	WUGOYFSPQYJUJD-UHFFFAOYSA-N	424.682	5.231	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C)c(NC(=O)c2ccncc2)c1	486236495	UAUIGUZTPKICCU-UHFFFAOYSA-N	403.507	5.173	30	20	HKED	
O=S(=O)(Cc1cccc(C(F)(F)F)c1)Cc1cc(F)c(C(F)(F)F)cc1F	488837362	LFNRCSJKWNTRSJ-UHFFFAOYSA-N	418.305	5.117	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)Nc3sc(C)c(C)c3C)o2)cc1	489795577	VLEWAQBXCCFQOS-UHFFFAOYSA-N	415.540	5.019	30	20	HKED	
Cc1nnc(SCc2cc(C#N)ccc2Br)n1[C@@H]1CCC[C@H](C)C1	491580764	FLIVRKIUGDRUCG-BLLLJJGKSA-N	405.365	5.264	30	20	HKED	
CCN(C(=O)Cc1csc2nc(-c3ccccc3)cn12)[C@@H](C)c1ccc(C#N)cc1	500142050	HUFQOGRDHTXZRM-KRWDZBQOSA-N	414.534	5.087	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(F)c1F	501698171	DNDIHBGJVMSBNB-HNNXBMFYSA-N	408.473	5.620	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	502802960	SCVMCONGRSENQA-QGZVFWFLSA-N	402.807	5.416	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)c2)c1	502949281	GRXPUDWCIIPPDO-HSZRJFAPSA-N	412.489	5.284	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl	503222009	DKGQREYRENYVLJ-WBMJQRKESA-N	420.365	6.197	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)N1CCCC[C@@H]1C(F)F	504853502	SQWQCEDZMXICGO-LLVKDONJSA-N	402.310	5.001	30	20	HKED	
N#C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)c1cccc(Cl)c1Cl	505342881	ILOSBFJGLRCQPV-GFCCVEGCSA-N	420.040	5.029	30	20	HKED	
C[C@H](SCC(=O)NCC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	506231070	HKOPCKDQYGQRPB-ZETCQYMHSA-N	413.305	5.197	30	20	HKED	
COc1ccc(CN2CCC(Oc3ccccc3Cl)CC2)cc1OCCCC#N	507667093	SYNDOJIJUCBEFC-UHFFFAOYSA-N	414.933	5.075	30	20	HKED	
C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC2(CCOCC2)C1	508938615	LFBGLKMNXFTFOR-UHFFFAOYSA-N	414.962	5.006	30	20	HKED	
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	509841293	YHECNXOCRJILKZ-LADGPHEKSA-N	419.544	5.099	30	20	HKED	
N#Cc1c(NC(=O)c2cc(F)ccc2Br)sc2c1CCCCCC2	511089377	AWVKBWOUSVKWEW-UHFFFAOYSA-N	407.308	5.433	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1COc1ccccc1	515800890	PDOURQDGQHEQJJ-UHFFFAOYSA-N	402.494	5.494	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1	516847094	TWTPNPPTBIELRH-HXUWFJFHSA-N	424.529	5.867	30	20	HKED	
N#C[C@@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1	517605251	OCAODRCPDWHKNO-OAQYLSRUSA-N	424.422	5.522	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1SC	518682303	ZOIUMGRQBOCDPI-OAHLLOKOSA-N	415.584	5.333	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	518755231	AUKOZFYJRQECHP-CYBMUJFWSA-N	408.354	6.052	30	20	HKED	
COc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(F)F	519123524	JZSBPVCOWVERFP-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	522342611	FSTSDCSNYUJHSF-XLIONFOSSA-N	400.453	5.508	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2C#N)C1	524421547	ZUVFCBJJTQFBAT-CQSZACIVSA-N	417.490	5.041	30	20	HKED	
N#CCN(C(=O)c1cccc(Sc2cccc(Br)c2)n1)c1ccccc1	525026936	VGFACBBJDYHLEX-UHFFFAOYSA-N	424.323	5.166	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl	525569717	PRUKAQQKOQZUKO-UHFFFAOYSA-N	406.958	5.052	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Br)c1	533641696	BAKNFHRVUSDQQU-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	533839244	LVEBOCLMXWESQF-UHFFFAOYSA-N	421.903	5.300	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccn3)ccc2Cl)cc1	534357973	GUPRYCIMNIZHDJ-UHFFFAOYSA-N	405.885	5.361	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccn1	534691964	PKTLOBJPSRDCBS-AWEZNQCLSA-N	421.913	5.144	30	20	HKED	
CCn1c(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2cc(F)ccc21	538321583	QCESOKWYQVNHET-QGZVFWFLSA-N	419.344	5.607	30	20	HKED	
Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1	538784803	LEKXDSUDUXDKCL-LJQANCHMSA-N	405.567	5.876	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	539352418	JBOLRVUTAKVLSG-UHFFFAOYSA-N	424.507	5.343	30	20	HKED	
CN(Cc1ccccc1NCc1cccc(C#N)c1F)C(=O)c1cc2ccccc2o1	541306126	CRJHCPXJBRCEGF-UHFFFAOYSA-N	413.452	5.328	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)cc1	542146993	RPLOABACOGCKFD-UHFFFAOYSA-N	408.464	5.198	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1	542975867	JDBBUBFLJFMVHM-PDIWNELESA-N	405.542	5.179	30	20	HKED	
C[C@H](NC(=O)N1CCC(CCCN(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543017851	PNEVBJBHCHPDOR-FQEVSTJZSA-N	418.585	5.050	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1ccc(C#N)cc1OC(F)F	544480299	TZRJWTJAAJPFKN-LBPRGKRZSA-N	417.456	5.582	30	20	HKED	
CC(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(CC#N)CC1	549449855	SRYULTHPXIEYEH-IBGZPJMESA-N	417.557	5.357	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](CCCC#N)c1ccccc1	550832319	FNKYDFSNWXEUMU-OXQOHEQNSA-N	403.448	5.447	30	20	HKED	
C=CCOc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	553066117	NFQWIFUOMZIEMV-UHFFFAOYSA-N	414.530	5.345	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	563760716	WUYBKTNASBXHEG-FUHWJXTLSA-N	413.521	5.295	30	20	HKED	
C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C#N)CC1	567126747	URNINYJZYZVVFM-UHFFFAOYSA-N	407.518	5.129	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1	577565030	HEXGCVLNZAKTBH-AWEZNQCLSA-N	407.499	5.044	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)N(C)CCOCc3ccc(C#N)cc3)c2)o1	577777338	KUSBDHCVQOTWJL-UHFFFAOYSA-N	403.482	5.116	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2cccc(COCc3ccco3)c2)c1	579992740	VFIAWERSHCVVPH-UHFFFAOYSA-N	424.500	6.059	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603829435	XVWHVIMPZBIYQW-OAHLLOKOSA-N	406.873	5.624	30	20	HKED	
CCCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](C)c1ccc(C)o1	603956054	YEXRWAOWFPZZBF-SFHVURJKSA-N	406.482	5.635	30	20	HKED	
Cc1ccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Cl	604003672	KTWNIHZRXJNFAX-UHFFFAOYSA-N	418.924	5.865	30	20	HKED	
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	607892545	VYDYRUOLKWRXHO-RYUDHWBXSA-N	408.317	5.024	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1	608840879	FIKDDSFIFVRBJW-DNQXCXABSA-N	413.477	5.392	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	609061141	SRFWYYTWLWDJSL-RBUKOAKNSA-N	416.443	5.753	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3Cl)o2)cc1	609071483	AJSADPSFHHMUBG-IBGZPJMESA-N	420.896	5.231	30	20	HKED	
Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2)cs1	609073346	BWYQPKVAIPHKAZ-UHFFFAOYSA-N	414.490	5.150	30	20	HKED	
CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609147532	BYVNIZHDJFQMJA-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
Cc1cccc2c1CC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	609213261	SGKGBWBXZCXQAM-RUZDIDTESA-N	413.496	5.405	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1	609376446	AHWRBWRDJPHJAJ-JPYJTQIMSA-N	418.587	6.410	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2cccc(Cl)c2)CCOCC1	609376673	GKULBGSZBICSOH-MRXNPFEDSA-N	414.958	5.279	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1	609385145	UFCSFBDELGTQMO-JXFKEZNVSA-N	413.974	5.510	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1OCC(F)(F)F	609398438	QTRATUHUNKHPGA-AWEZNQCLSA-N	423.460	5.201	30	20	HKED	
COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	609398826	UUUHVVKBIGQRCM-PKOBYXMFSA-N	409.555	5.186	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	609573088	ZPTLHCNNGFNWTL-QFIPXVFZSA-N	418.928	5.833	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1Cl	609643518	YAXZVKWTKPKWMY-OAQYLSRUSA-N	404.872	5.805	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1	609646351	GKFWXUXXSMKIHH-UHFFFAOYSA-N	422.513	5.727	30	20	HKED	
N#Cc1c(NC(=O)C[C@H]2CCOc3ccccc32)sc2c1-c1ccccc1CC2	609784344	PMFVXNYKFCADNS-MRXNPFEDSA-N	400.503	5.280	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)c1cccc(C#N)c1	610354343	WPXSCRTWMJSRKI-AWEZNQCLSA-N	419.447	5.315	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(Br)cc1Br)c1cccc(C#N)c1	610829719	GOEARSDTMIOCFI-NWDGAFQWSA-N	408.137	5.495	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)on1	611521884	KTHMBEQWSYVJRI-HSZRJFAPSA-N	409.489	5.542	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-n2cccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1	613404935	QSDWBEMCUMQPBC-INIZCTEOSA-N	411.408	5.596	30	20	HKED	
O=C(CCCc1ccc(O)c(F)c1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485093	DNBLSXNYJPLAKN-KRWDZBQOSA-N	423.328	5.293	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1	671736078	MZSZKFKCAAQMDX-UHFFFAOYSA-N	407.518	5.346	30	20	HKED	
N#C[C@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc2cc(Cl)ccc2s1	727038924	QKUHAIHTXPDOQN-DYESRHJHSA-N	410.926	5.826	30	20	HKED	
C#CC[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1	727772853	IIHAVJLWZLCRJA-QGZVFWFLSA-N	403.290	5.433	30	20	HKED	
CCn1nc(C)c(/C=C\C(=O)c2sc(/C=C/c3c(C)nn(CC)c3C)nc2C)c1C	727975228	VCTWWLHJTRSIDP-PJABCKPXSA-N	423.586	5.185	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1sccc1Br	728439957	IASOMBGSRSDSAE-IHWYPQMZSA-N	420.309	5.259	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C/c2cc(C(=O)O)c3ccc(Br)cc3n2)cc1	728698837	PLIDATYACRZGRL-ZABGRMTBSA-N	423.266	5.157	30	20	HKED	
Cc1ccccc1C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	730378938	AEFBSTCHYRRBCM-SANMLTNESA-N	409.533	6.062	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(N2CCCCC2)cc1	731399925	JAFMAHKQRIOGRC-LJQANCHMSA-N	422.598	5.435	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)c1	733772130	YHDCHYGTZNYARA-NRFANRHFSA-N	418.468	5.016	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)C1CCOCC1	734650958	VJCNBXQXUYIOAE-VGOFRKELSA-N	409.555	5.370	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1cnc(-c2ccccc2Cl)s1	735344999	BQHHBRKRUCTERO-UHFFFAOYSA-N	419.289	5.376	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(CC)[C@H](CC)Cc2ccc(C)cc2)c1=S	742177657	LIBVEGNRMFJNSK-JOCHJYFZSA-N	421.614	5.271	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1)c1ccccc1	749221851	PWEDUWVBOFLURV-GOTSBHOMSA-N	419.550	5.038	30	20	HKED	
Cc1ccc(CCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	751156872	KEYUQDIXMILPGV-AWEZNQCLSA-N	402.491	5.657	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1OC(F)F	753401100	YTASVYBPYHEQRF-WONIAPNHSA-N	417.362	5.313	30	20	HKED	
C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1	758908206	NYONVEUHJXIPSN-IBGZPJMESA-N	420.534	5.539	30	20	HKED	
C[C@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1nc2cc(C(F)(F)F)ccc2n1C	764533216	KJJJQZMZYNVZJQ-ZETCQYMHSA-N	420.284	5.067	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	767218251	DMOPRUUFJWUAED-MRXNPFEDSA-N	404.436	5.155	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	767374905	XDPCJFHIBLFONV-UHFFFAOYSA-N	423.929	5.275	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	767998544	BRQFPEXQXMVXSV-UHFFFAOYSA-N	408.885	5.472	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1	770665246	HOIGJPVYAVOJPD-MGPUTAFESA-N	406.473	5.286	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)c1	772218126	SJCOORCWPWHGNM-UHFFFAOYSA-N	411.527	5.027	30	20	HKED	
C[C@H](Oc1cccc2ccccc12)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	774056058	RGICUSIESFWKPA-YOEHRIQHSA-N	405.404	5.228	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@H](C)c2ccc(OCC#N)cc2)cc1	776158429	FRNFIBDEOYKRCY-IQGLISFBSA-N	404.485	5.371	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CCC(c3ccc(C)nc3)CC2)c1=S	782940818	IOEQEOUGDQLQLV-UHFFFAOYSA-N	419.598	5.116	30	20	HKED	
N#Cc1cccc([C@H](NCc2ccc(Br)cc2Cl)C(F)(F)F)c1	783670211	IEJJZYOTTBDJPT-HNNXBMFYSA-N	403.629	5.367	30	20	HKED	
Fc1cccc([C@@H](NCc2ccc(Cl)nc2C(F)(F)F)C(F)(F)F)c1F	787292490	HFLZEWUZZGJSMI-CYBMUJFWSA-N	404.688	5.425	30	20	HKED	
N#CC[C@H](CC(=O)O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1ccccc1	795983832	WDKIPHCKNUQMDZ-ISKFKSNPSA-N	423.472	5.457	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	796644380	VYYPJYXXZNCYMW-LBPRGKRZSA-N	421.519	5.309	30	20	HKED	
CC(C)(CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(F)(F)F	796644702	YFYCLSNLNIYKSJ-NSHDSACASA-N	421.271	6.272	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCSCc3ccccc3)n2)cc1	796660201	CAGVJHJIQKHATN-LJQANCHMSA-N	408.548	5.318	30	20	HKED	
N#C[C@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1	796760602	CMWBARUHQVRVRX-LADRWXRNSA-N	410.901	5.973	30	20	HKED	
CCSc1nnc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)s1	808432608	SNVNLRYDKZSHKD-COOUDCDJSA-N	405.614	5.011	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(C#N)cc2C(F)(F)F)S1	811626654	LYXUQMAOLDAAKF-CXUHLZMHSA-N	401.413	5.086	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)nc4ccccc34)s2)cc1	875066209	OFLHSEPRAFMOTE-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)cc1	915700424	RBZSVXJXROMALK-UHFFFAOYSA-N	410.477	5.375	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc2ccccc2c1OC(F)F	915983690	FTSVAPQNESYVIH-PKNBQFBNSA-N	408.429	5.856	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1OC(F)F	916126521	CQDCUXGMKIRAPP-VURMDHGXSA-N	415.348	5.361	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1	916577459	ZXBYSOJCNPFECZ-RTWAWAEBSA-N	409.411	5.767	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916650348	HATFEGDFXPNLKW-HNNXBMFYSA-N	417.317	5.681	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	916884197	SIAQGOHANWIYHY-RNOHYWCBSA-N	406.841	5.015	30	20	HKED	
COC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	917876573	MFHXMTNZLJGZJB-UHFFFAOYSA-N	421.840	5.435	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)c1ccccc1	1356354568	IPAWTYDPERCJQX-UHFFFAOYSA-N	419.912	5.095	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C)n3)CCC2)cc1	1786102471	OJDLKRUPYYSQHL-UHFFFAOYSA-N	421.516	5.045	30	20	HKED	
CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1	1789004073	QUHZLJBBKFTWBS-OAQYLSRUSA-N	422.550	5.135	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1	1791252027	GFLJBYKUKKVQLU-OALUTQOASA-N	415.537	5.274	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)s2)CC1	1829066214	VLJOHSAQIPVVKT-GOSISDBHSA-N	420.594	5.113	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccccc2)cc1	10173905	UIVOJTDIWXTPIF-UHFFFAOYSA-O	405.543	5.041	30	20	HKED	
C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12	21861032	SOSRFPQCURYECC-MRXNPFEDSA-N	407.514	5.117	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2)cc1	22730106	OVRWCIJFXLLQMQ-UHFFFAOYSA-O	423.627	6.299	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCOCc1ccccc1	25841386	RKUCMTISVBEFKU-UHFFFAOYSA-N	402.519	5.046	30	20	HKED	
CN(Cc1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47580606	WZQZCWKAYMOMPN-UHFFFAOYSA-N	403.457	5.135	30	20	HKED	
CN(Cc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161486	VCWCUJKTEOEEJT-UHFFFAOYSA-N	403.457	5.135	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1	48738126	SXISFDIIUJVOEH-KRWDZBQOSA-N	413.481	5.393	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4F)n3)n2)cc1	64682072	KVYOHCABBOFVLT-MRXNPFEDSA-N	419.506	5.871	30	20	HKED	
CCOc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	72040922	UOENSBXZNUOBAF-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)CCc2nc(-c3ccsc3)no2)cc1	105538732	PLUOSVDYGGYTSM-UHFFFAOYSA-N	415.474	5.013	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)C(C)C)cc1	302631680	CGACTRFVYQQTNU-FYSMJZIKSA-N	407.558	5.235	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2cccs2)nc1N1CCC[C@@H]1c1cccs1	302741349	CVKPQVFDXMGYRW-QZTJIDSGSA-N	406.580	5.759	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	303454044	KETMNYUWZBKFRY-JOCHJYFZSA-N	415.518	5.320	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1	303615326	CIIPZNHNYOAUIS-RTWAWAEBSA-N	420.434	5.308	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCCC23CCOCC3)c1	409806873	VQMCXLRWDYGROE-OAQYLSRUSA-N	410.901	5.083	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c1	409929609	AVXINUIJRNJYCS-UXHICEINSA-N	415.320	5.039	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	430604930	RMNGUVBQLMZVLY-ZDUSSCGKSA-N	423.259	5.390	30	20	HKED	
CC1(C)Cc2ccc(Cl)c(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2O1	431247382	LWQMQNISAZHNJY-UHFFFAOYSA-N	419.868	5.365	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC(F)(c2cccc(Cl)c2)C1	432071846	MXHFSIMRIKSMKT-OKSICCMJSA-N	417.937	5.883	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1OCCc2sccc21	432805171	NHWLNOJDHCYALY-OYHNWAKOSA-N	404.491	5.301	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1F	437466343	JPNGBDWSYPZJEP-UHFFFAOYSA-N	416.387	5.067	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C2CC2)cc1	438640814	JGRAARDXBHMLOV-AWEZNQCLSA-N	417.431	5.418	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)N[C@H](CCC#N)c1ccccc1	438857775	AUCKVXMDMHFLNC-WIYYLYMNSA-N	418.566	5.866	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	439293499	GPXJCCHNQCWGTJ-VWLOTQADSA-N	424.504	5.498	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)cc1	439342180	BVYUMYTVRYXAOI-NZQKXSOJSA-N	417.553	5.301	30	20	HKED	
CCCc1c(NC(=O)CCCCC(=O)c2ccccc2)cnn1-c1cccc(C#N)c1	440109529	XMXXZDSUCFBKTN-UHFFFAOYSA-N	414.509	5.078	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC4CCC4)cc3)n2)cc1	442862957	PSLTVFKGXKUERE-FQEVSTJZSA-N	404.491	5.240	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1	443854834	KYPZOKXWDXGTEO-INIZCTEOSA-N	409.461	5.333	30	20	HKED	
N#CC(CCN[C@H](c1ccccc1)c1nccs1)(c1ccccc1)c1ccccc1	444647826	FXFRIRMTLXCLIQ-XMMPIXPASA-N	409.558	5.722	30	20	HKED	
C=C[C@H](Cc1nc(CC(=O)Nc2cc(Cl)cc(Cl)c2)no1)c1ccccc1	445381528	YELWIDWSXNOFKM-CYBMUJFWSA-N	402.281	5.070	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(c3cc(C(C)=O)ccc3C#N)C2)n1	447687135	BQAGJLGYFUNADH-IBGZPJMESA-N	417.534	5.277	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	464954470	RYKLUJVCUYZNGG-TYCQWZJGSA-N	400.444	5.182	30	20	HKED	
CCC1(CC)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCS1	467173343	ZQCOUCJLDUGLQB-UHFFFAOYSA-N	423.582	5.471	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Nc3ccc(Oc4cccc(C#N)c4)cc3)o2)cc1C	467398863	BJQJSOHSRTUIMK-SFHVURJKSA-N	410.477	6.191	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1	468230186	KOHFLCHOORIAPJ-PMACEKPBSA-N	405.542	5.134	30	20	HKED	
Cc1c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cnn1C1CCCC1	470172343	VHFTVVHYYRVDKI-UHFFFAOYSA-N	400.482	5.010	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)n1	471210978	CJWZFVVROTXCQQ-NSHDSACASA-N	405.310	5.780	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc1	471291454	FJIMNKBDMDDSFT-DYVFJYSZSA-N	419.403	5.164	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1ncc(C(C)(C)C)o1	476503637	ITDXUOHFUHTIDZ-AWEZNQCLSA-N	416.522	5.321	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1cc(C#N)c[nH]1	479692608	QHRIFXSNRZIOMA-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1	482916331	SGENDTWEBCDFCW-LAUBAEHRSA-N	411.546	5.386	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnn([C@H](C)CC)c1C	485335065	XZOONGQZLUVENU-CYBMUJFWSA-N	423.330	5.284	30	20	HKED	
C[C@H](NC(=O)CSc1nc(C(F)(F)F)ccc1C#N)c1ccc2ccccc2c1	488805061	WXHCBMWUZISKCQ-ZDUSSCGKSA-N	415.440	5.095	30	20	HKED	
N#CCCCOc1cccc(CNc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1	494238617	RYBWCMGQVVYSEJ-GOSISDBHSA-N	400.906	5.050	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1	494482968	MNGQHEALLZGPOI-UHFFFAOYSA-N	403.404	5.107	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	499810518	JRSPLFSGYOLZAS-GFCCVEGCSA-N	408.335	5.482	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1	499887056	ODUKMXSVCYLXSU-QFIPXVFZSA-N	408.860	5.129	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc([C@H]4CCCOC4)c3)n2)cc1	500467710	WWAOGWQYRAGQEF-LEWJYISDSA-N	413.502	5.066	30	20	HKED	
O=C(NC1CC(C(F)(F)F)C1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	502682827	XCXQEVAOIQEKMI-MCIGGMRASA-N	422.291	5.339	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1	503632015	WTAXZGQVVGGJHJ-UHFFFAOYSA-N	405.807	5.552	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c2ccccc21	504260625	GPEATTLTAVNJLY-UHFFFAOYSA-N	419.378	5.278	30	20	HKED	
N#C[C@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1cccc(Cl)c1Cl	505341745	CYSDBUPMOAJXST-KRWDZBQOSA-N	423.727	5.076	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1	505623635	UNXAKRUCCQTKLK-UHFFFAOYSA-N	401.466	5.365	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(C#N)cc1	506889953	CEFUPFRORNLDNZ-BZNIZROVSA-N	415.337	5.241	30	20	HKED	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)N(C)[C@@H](C)CC#N	506936385	GXOJUTNJPSLJJM-LBPRGKRZSA-N	405.907	5.011	30	20	HKED	
C=CCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1	508857292	OEFCJHKKDPPYMC-QGZVFWFLSA-N	423.586	5.104	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1	508981885	TZRVEGMTLXPFHG-UHFFFAOYSA-N	413.452	5.133	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c1	511187870	KEDGESCIRVJKLQ-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)sc2c1CCCC2	512147949	PKKXNWWKIBIFFZ-UHFFFAOYSA-N	407.539	5.270	30	20	HKED	
N#CCCCOc1cccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1	513197761	UMFZXKJYHRLBRA-UHFFFAOYSA-N	408.505	5.834	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@H](C)c1ccc(C#N)cc1	515366546	JWYMTBHSJNKPKH-GOSISDBHSA-N	405.501	5.502	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)Cc1ccc(OC)cc1	517532084	JWGXTFDBMIVQEP-QZTJIDSGSA-N	411.571	5.432	30	20	HKED	
N#Cc1cc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)ccc1OCC(F)(F)F	517580698	FWBPMVJNGSFSHT-UHFFFAOYSA-N	424.247	5.049	30	20	HKED	
CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H]1CCOC(C)(C)C1	519673257	VIZYKBMXNUZIDT-OAQYLSRUSA-N	421.541	5.257	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	520834353	ZTGIFRBAYGDQJO-HNNXBMFYSA-N	421.488	5.767	30	20	HKED	
COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	521329178	UWVGWANNLVJATC-UHFFFAOYSA-N	409.445	5.607	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1F	521588942	MBQHJPNNEYIPOL-UHFFFAOYSA-N	405.429	5.210	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@H](c1ccccc1)C(F)(F)F	523781049	UZEZFKHVRWZTCC-CQSZACIVSA-N	410.289	5.192	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Sc1ccccc1	525137497	PSKSNGPKPQHFIK-QGZVFWFLSA-N	404.560	6.342	30	20	HKED	
Cc1nc2ccccc2n1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	531361024	SBIWUVVGSCEFPV-HXUWFJFHSA-N	414.896	5.292	30	20	HKED	
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N(CCC#N)Cc2ccco2)c1	532026270	WOTFRMZGESAQHT-UHFFFAOYSA-N	405.502	5.019	30	20	HKED	
CCC(CC)CN(CCC#N)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1	535964018	QTPRLLXUOADXFG-UHFFFAOYSA-N	412.603	5.596	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CSCc2cc(-c3cccs3)on2)c(C#N)s1	536973298	XXLYIGDTQCRUFG-UHFFFAOYSA-N	417.581	5.506	30	20	HKED	
C=CCN(C(=O)[C@H]1CCO[C@@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	539552742	RXPDTZIZEHDBPN-JSGCOSHPSA-N	411.354	5.451	30	20	HKED	
C[C@@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2cccc(C#N)c2)cc1	541091283	UUZRAPWAJXWYBO-MRXNPFEDSA-N	414.896	5.779	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ncn(C2CCCCC2)n1	541650461	NURLTEJKMMNNLB-UHFFFAOYSA-N	403.511	5.058	30	20	HKED	
CCc1ccc([C@H](Nc2cccc(OCCCC#N)c2)c2ccc([N+](=O)[O-])cc2)o1	544382007	LPHBXNGTSBXFJT-HSZRJFAPSA-N	405.454	5.634	30	20	HKED	
CCCCSc1ccc(C(=O)NC2(C#N)CCSCC2)cc1C(F)(F)F	546888660	KKPZKHBKZACMPP-UHFFFAOYSA-N	402.507	5.117	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1C[C@@H]2CC[C@H](C1)N2C	554418728	DKHZYCMGTPPBQS-DFNIBXOVSA-N	424.932	5.093	30	20	HKED	
C[C@](C#N)(NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C1CCCCC1	563973496	DBNVOYBVQWFALR-GOSISDBHSA-N	408.727	5.176	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)CCCCC4=O)n2)cc1	574491320	GNKBXAQFQKSTSO-HXUWFJFHSA-N	400.503	5.518	30	20	HKED	
CC(C)c1ccoc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	575819342	VLHNEGPXBZARQA-UHFFFAOYSA-N	419.428	5.593	30	20	HKED	
N#Cc1ccc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)c(C(F)(F)F)c1	576156687	XCIXAWYWRDZVGZ-UHFFFAOYSA-N	421.422	5.392	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccncc2)cc1	577213818	IQRXIBXHMBQRAT-KRWDZBQOSA-N	403.507	5.165	30	20	HKED	
CC(C)(CNC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	579736077	ILQCBMQSUGGIDO-LLVKDONJSA-N	424.307	5.587	30	20	HKED	
N#CCn1c(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc2ccccc21	586868931	SKDDJUQAWHRHTG-SFHVURJKSA-N	411.427	5.203	30	20	HKED	
C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1c(Cl)cccc1Cl	588024762	UVZRQKLSZRCURE-ZDUSSCGKSA-N	421.299	5.178	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1cccc(C#N)n1	589432982	OJQJJGSBRRPXLL-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	591519823	QWSUMTMIVCKCNB-RNFRBKRXSA-N	408.264	5.135	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc(-c4ccccc4)n3)c2)c1	603995367	HUAJGGIVVDRPHM-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	604395209	UUUOGSSIAIJALZ-UHFFFAOYSA-N	401.466	5.242	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ncc(-c4ccccc4)s3)o2)cc1	609057428	UIAXLSQWUWGCPK-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609073355	CBHPJMKFBVAQRY-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3nnc(Cc4ccccc4)s3)c2)cc1	609125499	ZFWPBUZVFMLIKU-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(Oc2ccccc2)c1	609401846	BRYLLOHLYBRRJI-KRWDZBQOSA-N	418.522	5.447	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccccc1Br	609427472	BCJGPYAMGIQQAK-CQSZACIVSA-N	403.345	5.415	30	20	HKED	
Cc1ccc(C)c2sc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)nc12	609497599	NBMPWGBICWVWEO-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2)cc1	609498374	DENKCNPYOLWJFW-UHFFFAOYSA-N	411.461	5.146	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1	609500258	YMQUJEOTYCYAHN-UHFFFAOYSA-N	416.443	5.317	30	20	HKED	
C[C@H](OCCCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1	609658988	GLAXIRUJDJUCPV-FQEVSTJZSA-N	414.505	5.035	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1cccc(Cl)c1	609907195	UMPMOJOWXGLQGH-UHFFFAOYSA-N	405.885	5.624	30	20	HKED	
Cc1ccc2cccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2n1	610160099	YQRIGBATXNGVFZ-UHFFFAOYSA-N	407.473	5.441	30	20	HKED	
C[C@](CO)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	610507284	MYBCZEHXVVKYPO-ZJSXRUAMSA-N	419.912	5.025	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl	610792653	TWGMIDLKCZFKEW-KSSFIOAISA-N	403.935	5.101	30	20	HKED	
C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1nc(-c2ccccc2)cs1	611094356	GCSLTYCNCIXDOT-LLVKDONJSA-N	402.306	5.480	30	20	HKED	
COc1ccc(F)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613347073	WOXZRMNMOQGAAN-CQSZACIVSA-N	421.280	5.755	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccccc2F)on1)c1nc(-c2ccccc2)cs1	615921348	JTPLJVQPBFLVRE-UHFFFAOYSA-N	405.454	5.437	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1	727225439	YVJZMZLXCHUBLH-UHFFFAOYSA-N	408.502	5.205	30	20	HKED	
CC(=NOCC(=O)Nc1c(F)cccc1F)c1ccc(OCc2ccc(C)cc2)cc1	729676027	YPHUFIFPBYBSGS-UHFFFAOYSA-N	424.447	5.232	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)n1	730684733	CPWVEXHFZPENJE-KXBFYZLASA-N	400.862	5.241	30	20	HKED	
Cc1ccc(CN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)c2ccc(F)cc2)o1	731214813	QPACPYCTBDUPSX-LJQANCHMSA-N	419.481	5.220	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)cc1	732934626	HEUUJPMVEUXVTC-NRFANRHFSA-N	416.912	5.243	30	20	HKED	
CCCN(Cc1c(F)cccc1Cl)C(=O)NCc1cccc(O[C@H](C#N)CC)c1	733804518	FWRQUFNSAHGPCL-KRWDZBQOSA-N	417.912	5.282	30	20	HKED	
Cn1nc(-c2ccccc2)c(C=NNc2nc(Cl)c(Cl)cc2Cl)c1Cl	734747020	NVVBTMLWRHBKAB-UHFFFAOYSA-N	415.111	5.542	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1F	743036575	NOSMMCDEXZQMNA-UHFFFAOYSA-N	415.852	6.091	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3csc(C)n3)c2)cc1	744032598	HKURRUDVUIGVMJ-YCRPNKLZSA-N	417.534	5.593	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1	747193800	PMWWJSDGJVTFIJ-NRFANRHFSA-N	404.535	5.573	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1	752638125	XBOALEXSHORSSX-CYXNTTPDSA-N	420.516	5.646	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1OC(F)F	753400478	PZSZXQSRZJBIPL-ZHZWZMEUSA-N	418.852	5.831	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc3ccc(C)cc3o2)cs1	754829255	IYPXVKGAFWNZJQ-FLIBITNWSA-N	416.502	6.087	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccncc1	758780995	VSRGIFLPZVAALN-VXKWHMMOSA-N	409.892	5.580	30	20	HKED	
COc1ccc(-c2nc(SCCCSCc3ccccc3)nc(O)c2C#N)cc1	761311923	UEIPMQYGHVFDIU-UHFFFAOYSA-N	423.563	5.145	30	20	HKED	
Cc1ccc(-c2ncc(/C=C\C(=O)c3cc(Br)ncc3F)s2)cc1	762421248	HYXNEVMPPGVTQQ-SREVYHEPSA-N	403.276	5.311	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOC3(CCCCCC3)C2)cc1	764057321	ZGTJKMAZLXNYEB-HSZRJFAPSA-N	403.526	5.299	30	20	HKED	
CCCCN(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	770097871	APQDHMFJANIHPY-KRWDZBQOSA-N	418.324	5.191	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)cc1	776514813	FYGYLYOZUYRKRX-HXUWFJFHSA-N	402.450	5.040	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cnc(-c4ccccc4)nc3)cc2F)c1	779595645	KJTFMJVJYZFIKA-UHFFFAOYSA-N	410.452	5.345	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	780167956	ZHVIGULLNDPRCP-OAHLLOKOSA-N	401.397	5.033	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)c3ccccc3n2)cc1	780306638	ZAZMDCHBORGQCD-QFIPXVFZSA-N	405.457	5.171	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	780668909	GFVUCJZAFZCMGG-WOPDTQHZSA-N	423.357	5.008	30	20	HKED	
Cc1c(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)sc2ccc(C#N)cc12	794289783	HFJBFHBRJWKZID-UHFFFAOYSA-N	407.495	5.681	30	20	HKED	
N#C[C@@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1	796760603	CMWBARUHQVRVRX-RJYAGPCLSA-N	410.901	5.973	30	20	HKED	
CCCCCCCN(C(=O)C[C@H]1COC(=O)C1)[C@@H](C)c1ccc(Br)cc1	797358186	LIPBQZDCYAQZQD-DLBZAZTESA-N	424.379	5.262	30	20	HKED	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797571829	QRQPDTKSAIOHQC-LLVKDONJSA-N	420.560	5.043	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)C(C)(C)c1cc(F)cc(C#N)c1	803925394	LCNXHFHQYBATEA-JKSUJKDBSA-N	410.489	5.059	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cn1	810166726	NPYZXPAXJNMQCO-UHFFFAOYSA-N	417.469	5.100	30	20	HKED	
C#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccc(Cl)cc1	812352495	PQJUBAAWLIBEOA-GOSISDBHSA-N	408.910	5.067	30	20	HKED	
N#Cc1cc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)cnc1C(F)(F)F	904424553	ZUDQCDPSEMRCMI-UHFFFAOYSA-N	422.366	5.268	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1	915352857	ODEOCWCHZXMKIV-VXKWHMMOSA-N	417.509	5.840	30	20	HKED	
CC(=NNc1cccc2ncccc12)c1cccc(OCc2cn3ccccc3n2)c1	915963563	DXHWNVCFUYTZIH-UHFFFAOYSA-N	407.477	5.298	30	20	HKED	
COc1cc(C=NNc2ccccc2C(F)(F)F)ccc1OCc1c(C)noc1C	916540069	MBLUTPHGBFKMSC-UHFFFAOYSA-N	419.403	5.344	30	20	HKED	
CCc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C	916904478	DPOBUFRLPWMZOW-QGZVFWFLSA-N	404.491	5.372	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	916928752	SQGGZACTZVYMPG-INIZCTEOSA-N	421.349	5.440	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1	917027128	XDURMGFVWWERMZ-BLIJAFNYSA-N	414.408	5.598	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccccc1-c1ccccc1	917542457	CWEZQRCAPXVGRI-UHFFFAOYSA-N	400.507	5.182	30	20	HKED	
C=C(CNC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)nc1O)c1ccccc1	1629239979	DWXBGWSRTMFVEM-UHFFFAOYSA-N	413.521	5.161	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3C)cc2)CCC1	1787332090	CXLCPBNKUCZPBF-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccccc2)cc1F	7746927	ZADVZGRSBZJUPI-UHFFFAOYSA-O	405.927	5.187	30	20	HKED	
C=CCn1c(SCc2cc(Cl)nc(Cl)c2)nnc1-c1ccccc1OC	108699355	XKGRRHUBTBPGAJ-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
COc1ccc(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1OCCCC#N	237357230	GFGUCNRUNYALJV-RUZDIDTESA-N	420.940	5.910	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2)c1)c1nc(-c2ccncc2)cs1	429673892	BJTKNWKHAFNVPZ-KRWDZBQOSA-N	421.934	6.077	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1C#N	433968924	XCJIIVYINZWQGD-LBPRGKRZSA-N	415.877	5.266	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCc2sccc21	434103230	FWBJIPNSOZAXTL-OAQYLSRUSA-N	402.519	5.566	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2ccc(F)cc2C1	434214838	AGKAJMVTBRYRDN-UHFFFAOYSA-N	415.468	5.175	30	20	HKED	
COc1ccc(CSc2nnc(SCc3cc(C#N)ccc3OC)s2)cc1	435139764	GAFOENCDVULREJ-UHFFFAOYSA-N	415.565	5.012	30	20	HKED	
COC(C)(C)C[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	437959668	VJHQFRKZKNDJQG-HNNXBMFYSA-N	415.921	5.116	30	20	HKED	
Cc1cccc([C@@H]2CCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C	438044713	NKQVGHKIKJFXDH-VGSWGCGISA-N	407.583	6.314	30	20	HKED	
Cc1cnc([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)s1	438050786	AYZPXCAIDRECDP-HXUWFJFHSA-N	404.495	5.388	30	20	HKED	
C=CC[C@@H](CC)NC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	439582418	TUOAEJIDDOWGMM-LJQANCHMSA-N	405.498	5.181	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(Cl)c(Cl)cn1	443965009	WIPSMIYMBXPSHS-UHFFFAOYSA-N	400.290	5.664	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c2ccccc21	444181025	IMEHIJPZSGOUBX-UHFFFAOYSA-N	410.477	5.171	30	20	HKED	
N#CCCCn1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)c2ccccc21	444261785	ZVUSULFFSHVKBU-UHFFFAOYSA-N	420.582	5.422	30	20	HKED	
Cc1cc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)ccc1C#N	447312427	MSBHMSPELFIGLC-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
Cc1sc(CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)nc1C(C)C	447478486	LWPBLDHSJZSTDP-OAQYLSRUSA-N	419.550	5.078	30	20	HKED	
C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1ccsc1	460941976	ZPXNOJCGYACVII-NRFANRHFSA-N	403.555	5.329	30	20	HKED	
C=CCCCN(C)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466534923	UVWSIXSCQNINKJ-AWEZNQCLSA-N	422.392	5.550	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1	466759730	ZVBHJNGMWPXKHQ-KRWDZBQOSA-N	412.917	5.283	30	20	HKED	
CCOc1cccc2cc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)oc12	468945842	JSPRMKCOTBRLNL-QGZVFWFLSA-N	417.509	5.588	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)n1	470128464	MFLZYMNYPHFKSP-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1	470197212	YUGDDUYNEXSRPU-UHFFFAOYSA-N	409.530	5.099	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC12CCCCC2	470536010	AJIPXSWFWKFEPQ-IBGZPJMESA-N	422.573	5.094	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3ccccc3)c3cccc(Cl)c3)o2)c1	471618512	BFGRLUWNLYFVLZ-QFIPXVFZSA-N	400.869	5.141	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nc[nH]n3)cc2)cc1Cl	473708173	BHQQWLMKAGUZES-HXUWFJFHSA-N	413.868	5.033	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC(c4ccccc4C(F)(F)F)CC3)o2)cc1	474213008	HEGSRBVNYIDYHX-UHFFFAOYSA-N	412.415	5.007	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@]2(C1)OCc1ccccc12	480561653	HDNBIDXCYAKESH-SBUREZEXSA-N	407.539	5.134	30	20	HKED	
CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1	481047404	LQEXEGBCWQNRKF-IERDGZPVSA-N	412.917	5.327	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nccc4ccccc34)s2)cc1	483192115	CHDBPGUNEXLNCS-HXUWFJFHSA-N	413.502	5.556	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1	483209634	KIGWKKHOUPEQBV-QHCPKHFHSA-N	419.509	5.889	30	20	HKED	
COCCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H]1CC[C@@H](C)C1	483703524	TZQNESLQULKCKV-GCJKJVERSA-N	421.541	5.115	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N(c2ccccc2)[C@H]2CCOC2)cc1	485830611	NXAGAMNGJPHRMP-NRFANRHFSA-N	400.503	5.145	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)s1	487033283	CNYCIQZUMKXEPM-UHFFFAOYSA-N	407.348	5.217	30	20	HKED	
N#CCCC[C@H](NC(=O)CCCc1ccc(Br)s1)c1ccccc1	487546634	WMEFSSPZZGLCQS-KRWDZBQOSA-N	405.361	5.385	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1	487604152	ODEHZQGXJCOUOZ-KRWDZBQOSA-N	401.388	5.231	30	20	HKED	
C[C@H](c1nnc(SCc2cccc(F)c2C#N)n1-c1ccccc1)N1CCCCC1	488265991	SQFDSJNJSKWRSV-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cccc(-c2cccc(C)c2)c1	490685676	SBTWFTHOUQKBQZ-UHFFFAOYSA-N	404.510	5.035	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2cc(C(F)F)ccc2Cl)CC1	497140876	DIHIOAMOIOCEFA-UHFFFAOYSA-N	419.859	5.661	30	20	HKED	
CC(C)CN(C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)c1ccc(C#N)cc1	499325049	CLYSAOHJOIWVLT-UHFFFAOYSA-N	419.550	5.772	30	20	HKED	
C=CCc1cc(CN[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc(OC)c1O	500889684	JSWRNQKQJAUINO-HSZRJFAPSA-N	401.506	5.410	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2csc3ccccc23)cc1C	502134060	WJOLCVIZZAJMTB-UHFFFAOYSA-N	414.534	5.225	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccccc2COc2ccccc2)c1	502638643	RUCAKNZEUFLJSM-UHFFFAOYSA-N	401.466	5.592	30	20	HKED	
N#Cc1ccc(CC(=O)N(Cc2ccsc2)c2ccc(Br)cc2)cc1	505064762	GLTHRCAHLOKHQS-UHFFFAOYSA-N	411.324	5.158	30	20	HKED	
CN(C)c1nc2sc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2s1	505432375	AJYVXLBJDKQQCU-LBPRGKRZSA-N	410.549	5.037	30	20	HKED	
Cc1noc(-c2ccccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1	505439922	KCHNMTPGJUMIQT-QGZVFWFLSA-N	420.881	5.312	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccc(Br)cc3)n2)cc1	505746195	SUUKIIVPXIFRES-INIZCTEOSA-N	412.312	5.127	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1)c1cc(F)cc(C#N)c1	509095348	DMWQIJMSQBTGGH-UHFFFAOYSA-N	409.848	5.454	30	20	HKED	
Cc1cc(OC(F)F)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)s1	510056746	RWUPBRXNYPUHJB-UHFFFAOYSA-N	414.433	5.361	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)CC2)c1	512541391	DZSZKILYVUIKAR-HSZRJFAPSA-N	423.944	5.306	30	20	HKED	
N#C[C@H](C(=O)c1cc2sc3ccccc3c2s1)c1nc(-c2ccncc2)cs1	512970051	NJROECSSQXVCKO-CQSZACIVSA-N	417.540	6.125	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	513104287	GEOXDBVTAKMROQ-GFCCVEGCSA-N	424.291	5.696	30	20	HKED	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SC[C@@H](C#N)CCC#N)nnc1-c1cccs1	514613060	INKZDCMFQNJJFF-WKULXVSPSA-N	411.600	5.539	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1	514616520	AXBUIDCBRRTWSL-XMMPIXPASA-N	415.924	5.699	30	20	HKED	
Cc1nc(SCC(=O)Nc2sccc2C#N)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	514931464	XHDYXXPPUNDXLU-NBOOPKSLSA-N	414.600	5.161	30	20	HKED	
Cc1sc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nc1C(C)C	515766177	CMRZDTBSIPFJKL-UHFFFAOYSA-N	419.550	5.401	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)CC2)c1	519172649	JGOWUPCVHXJAOP-UHFFFAOYSA-N	418.522	5.121	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1ccccc1OC	520844025	CQTIJGIJECTRCT-RUZDIDTESA-N	411.505	5.054	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nccn1-c1ccccc1	521220203	ILAFRUHAIFJAPB-GOSISDBHSA-N	417.538	5.082	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)c1	521259538	QTMGOTLCWRHMJJ-INIZCTEOSA-N	420.444	5.073	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	521748139	MVMCQJHYPWLZKP-AVRDEDQJSA-N	421.610	6.605	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1	522619114	BAZASOROGZFMKC-LJQANCHMSA-N	415.946	5.321	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1)C(C)C	522654624	BUUSATVAUOEBKO-QGZVFWFLSA-N	424.570	5.339	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1C(F)(F)F	524389988	KPAFBXSBEIVFBR-UHFFFAOYSA-N	410.395	5.717	30	20	HKED	
C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524440830	CNRRTXXXYNOCLB-INIZCTEOSA-N	420.900	5.411	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H](C)c1cccc(OC)c1	524490969	KVCOEDHLTMHYFR-IBGZPJMESA-N	414.505	5.369	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)c2)c1	524491052	PSRUWSMZFVEZOT-UHFFFAOYSA-N	400.453	5.081	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccccc1-n1cccn1	531594463	SFZIXJCOZKODSE-HXUWFJFHSA-N	408.505	5.174	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	537219138	IEKBZEBNCVWCDR-KRWDZBQOSA-N	400.366	5.900	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)NCc2cccc(C#N)c2)c1	541335935	GEFBSAQHNHQIEF-RPBOFIJWSA-N	411.505	5.007	30	20	HKED	
C[C@]1(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCCO1	542159425	DWOOUDOTYGOHIN-DGCLKSJQSA-N	423.275	5.013	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(Cc2ccccc2)no1	543862392	QVHSIABCISRPAZ-MOPGFXCFSA-N	408.505	5.611	30	20	HKED	
CSc1cccc([C@H](NCc2cnc3ccc(C#N)cn23)c2cc(F)ccc2F)c1	551556612	PNZBALZVLHRYQZ-QHCPKHFHSA-N	420.488	5.085	30	20	HKED	
C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1	559003224	DZUXSAHAJZPSQQ-MRXNPFEDSA-N	405.527	5.108	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	562113787	IGMBVFWNCSRRRR-UUOWRZLLSA-N	424.504	5.426	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2COc3ccccc32)cc1Cl	564166246	QXTYLQXWLAZRLP-LAUBAEHRSA-N	417.896	5.293	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1c2ccccc2CC12CCOCC2	570250599	SDWWRONIEUVIHC-VGSWGCGISA-N	421.566	5.297	30	20	HKED	
N#CC1(CC(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CC1	590319052	BZKBJTJMHMSIMX-QGZVFWFLSA-N	412.320	5.417	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl	591533052	AXCLLOSROGNTHW-UHFFFAOYSA-N	413.949	5.083	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2cc(F)ccc2s1	592975962	ZYVRPLLNIUORBN-GOSISDBHSA-N	418.424	5.296	30	20	HKED	
C[C@H](NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccc(C#N)cc1	603510444	QAASYBAWDZEYHC-KRWDZBQOSA-N	411.480	5.656	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1SCc1ccco1	604485886	JLJHSMZHDAOGQR-UHFFFAOYSA-N	408.479	5.309	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	604929661	LBJGQTSJVNEWMX-HXUWFJFHSA-N	423.859	6.042	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCSc2ccccc21	607815209	OYIFXIXPHSQRPH-QGZVFWFLSA-N	420.347	5.382	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cc1	609460968	ZCXOXJDUHODDOC-OAQYLSRUSA-N	422.271	5.652	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	609969013	CXOFZWVYNMYMGA-OAHLLOKOSA-N	406.404	5.007	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@H]2c2ccco2)cc1Cl	614138906	CKYQCNTXFXIETN-FPOVZHCZSA-N	421.884	5.194	30	20	HKED	
C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(OCc2cn3ccccc3n2)c1	618807789	WRHUOJIKRWUPJW-AVRWGWEMSA-N	408.505	5.123	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCCc1ncc(-c2ccccc2)o1	642359995	GNSGMVFZCPFASF-UHFFFAOYSA-N	400.931	5.594	30	20	HKED	
C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12	673237654	RMANKPDTCNPYTR-LKTVYLICSA-N	422.344	5.422	30	20	HKED	
O=C(CCCc1cc(F)ccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	677749299	XHBJDGBJAMAPFV-VXGBXAGGSA-N	417.340	5.313	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl	726957382	DJKNJAQHMKMNEH-YVMONPNESA-N	409.795	5.088	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c1	730173813	KRPZYIMZZCMTMN-UHFFFAOYSA-N	408.860	6.081	30	20	HKED	
CC/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	731077911	LNYNMWJPTMIQNM-XMGGNUPJSA-N	408.523	5.056	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1-c1ccc(F)cc1	731349840	TZOQEJPHCZLHNY-INIZCTEOSA-N	407.514	5.880	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(F)c(F)c1	732987084	RIVQSWWSZNRHQV-MGPUTAFESA-N	415.509	5.135	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2CCC(C)C)ccc1OC	733627407	JKXQYSWKUVRDIL-HXUWFJFHSA-N	409.530	5.286	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)c3ccccc3SCC#N)C2)nc2ccccc21	733957878	FABNDLGFFJOEHK-SFHVURJKSA-N	418.566	5.253	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)[nH]1)c1ccc(OC(F)F)cc1OC(F)F	742429382	OMIQYIDWTATLRW-RMKNXTFCSA-N	406.335	5.176	30	20	HKED	
Cc1ncsc1/C=C1/CN([C@@H]2CCCC[C@@H]2C)C/C(=C/c2scnc2C)C1=O	742435040	RCMSFEIKKVBEBE-BXIANBQPSA-N	413.612	5.147	30	20	HKED	
COc1ccc(CC[C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	743294601	QFVSFHAXPVTZAO-UQBPGWFLSA-N	413.521	5.493	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1OC	746055084	QUJUVKKORYLTCD-XYOKQWHBSA-N	420.534	5.022	30	20	HKED	
C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C2SCCS2)c1	746582519	WQWKZIFJBWDVFX-UHFFFAOYSA-N	423.563	5.168	30	20	HKED	
COc1ccc(C(C)(C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	746660740	UIGOCTXURGKRCK-XMMPIXPASA-N	413.521	5.450	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(O)c([N+](=O)[O-])c1	749586082	APBZQDCXPQVYIB-CSKARUKUSA-N	422.824	5.102	30	20	HKED	
Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	752033911	HHDOYEQPDBJVMY-RBBKRZOGSA-N	419.525	5.254	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1OC(F)F	753398591	RXQIJDRPLBMTPU-DDKJEQMHSA-N	411.433	5.086	30	20	HKED	
CCc1ccc([C@H](NCc2cccc(O[C@H](C#N)CC)c2)c2ccc([N+](=O)[O-])cc2)o1	753678565	KNFCBOAHXKNXRB-XUZZJYLKSA-N	419.481	5.310	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1Br)c1ccc(Cl)c(Cl)c1	760559225	CJRBRMQPXMQUES-CQSZACIVSA-N	418.505	5.404	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2)c1	760802112	YUVXYVDMVCZIEX-DEOSSOPVSA-N	418.468	5.610	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	766845939	HKJYQVVSIHYLBA-STRFDMGBSA-N	420.246	6.018	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(Cl)c1Cl	768137634	QHCNPNZJGYBEFI-LBPRGKRZSA-N	405.228	5.600	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1	776973493	PWDUTWQUZZPEQC-INIZCTEOSA-N	405.498	5.080	30	20	HKED	
N#CCOc1cccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1	779588705	PRZNNJIIXXGPOH-UHFFFAOYSA-N	409.829	5.555	30	20	HKED	
COc1cc2c(cc1NC(=O)Nc1ccccc1O[C@H](C)C#N)oc1ccccc12	780016358	JORMRACIYPTHFI-CQSZACIVSA-N	401.422	5.529	30	20	HKED	
C=CCn1c(SCc2cccc(SC(F)(F)F)c2)nnc1-c1ccncc1	781378818	XSJUENWBMREBFX-UHFFFAOYSA-N	408.474	5.430	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)cc1	782235079	RCEGYNDZUVKGOZ-HNNXBMFYSA-N	417.456	5.313	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCCCC(C)(C)C#N)c3cnn(C(C)C)c3n2)c(C)o1	782249029	HBPYNDDFIGPAFC-UHFFFAOYSA-N	408.502	5.376	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	782533055	RQDBEJQHZJJWRX-UHFFFAOYSA-N	412.770	5.071	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)cc1	783038422	QIQJRUJGPQFDKU-VFIGECHUSA-N	400.444	6.039	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	786907317	JDYRTGVMCIPZQO-RBUKOAKNSA-N	410.521	5.167	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1ccc2c(c1)Nc1ccccc1S2	788027448	CTHJSRQTYMNZNX-UHFFFAOYSA-N	416.535	5.644	30	20	HKED	
CN(Cc1ccc(OCC#N)cc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	792938178	BLRDMMYJZFOCRU-UHFFFAOYSA-N	402.338	5.259	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(N3CCCCC3)c3ncccc23)cc1Cl	795002543	TYGZHVWRRNRUJA-UHFFFAOYSA-N	421.957	5.559	30	20	HKED	
COc1cc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)ccc1OCc1ccccc1	806563020	QWVHPKIHAVDUQF-JJEHFPDLSA-N	414.457	5.112	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3c(F)cccc3F)cc2)cs1	811698469	RLRSEGWGWPCKSH-QXMHVHEDSA-N	412.461	5.357	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C)Cc2cnc3ccccc3n2)c1	815548736	HQLCGOMVSCYLHI-GOSISDBHSA-N	411.530	5.085	30	20	HKED	
O=C(OC(C(F)(F)F)C(F)(F)F)c1csc(-c2cccc(C(F)(F)F)c2)n1	816219107	RVQBMALXCOFKPL-UHFFFAOYSA-N	423.256	5.479	30	20	HKED	
CC(C)N(C(=O)CSc1ccc(C#N)cn1)c1ccc(Nc2ccccc2)cc1	913194132	REQWZLIXOBLYAA-UHFFFAOYSA-N	402.523	5.231	30	20	HKED	
C=CCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl	913367446	HSACHCDOWCBDSK-UHFFFAOYSA-N	414.672	5.007	30	20	HKED	
N#CCOc1cccc(NC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)c1	915742629	XLMKUBKLCGDGIP-HMAPJEAMSA-N	406.844	5.561	30	20	HKED	
CCCCn1c(-c2ccc(OCC#N)c(OC)c2)nc2cc(C(F)(F)F)ccc21	916369277	FPMJFNCJMQUCNM-UHFFFAOYSA-N	403.404	5.433	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)[C@H](C#N)C(=O)Nc1cccc(OC)c1	916891467	UVRBBZQYPSZKLP-HJBMFWNLSA-N	416.477	5.145	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1C1CCCCC1	916916940	BZBLOMMHLFBBRQ-QHCPKHFHSA-N	413.521	5.725	30	20	HKED	
CC(C)c1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1	916937721	GQZAINALDKHIKZ-INIZCTEOSA-N	404.894	5.042	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccccc2)cc1	917029412	HLKZNTXXPWHRRW-UHFFFAOYSA-N	400.507	5.182	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	918492112	MFWYTYWYNCYXAS-XHDPSFHLSA-N	406.404	5.824	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1	1789235921	QYTSKFRVEZOHTH-INIZCTEOSA-N	419.500	5.267	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nnc(-c2ccc(F)cc2)o1	7107446	PVAMBRRIKRBHPO-OAHLLOKOSA-N	413.408	5.332	30	20	HKED	
Cc1cccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2c[nH]c3ccccc23)c1	15234442	BBIXANVTNXHGCC-KRWDZBQOSA-N	412.522	5.260	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(F)cc1	17704950	AIRCNLSRISGVDD-OAHLLOKOSA-N	421.501	5.482	30	20	HKED	
CC(C)(C)c1ccc(C(=O)/C(=C(\S)NCCc2ccccc2)[n+]2ccccc2)cc1	22735454	FDXOVUGXWRJLMK-UHFFFAOYSA-O	417.598	5.043	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1cccc(C)c1	26037701	UNUSDYKLLQMKNX-AWEZNQCLSA-N	409.540	5.404	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2ncc(-c3cccc(Cl)c3)o2)n1	45361333	SFXXLWVHHKANCT-UHFFFAOYSA-N	409.820	5.881	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	45721243	GZQQDWRHGUQLFX-GOSISDBHSA-N	419.550	5.459	30	20	HKED	
C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161653	SPWXFUCQSWKPBM-QGZVFWFLSA-N	417.534	5.544	30	20	HKED	
CC(C)c1ccsc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	52940106	SNOQUSXYOHIALA-UHFFFAOYSA-N	400.554	5.139	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1C(F)(F)F	56652407	YOOSBBZNRJWQCQ-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1	59040674	YQYNPIQALHLOOI-UHFFFAOYSA-N	417.537	5.213	30	20	HKED	
Cc1nc(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc1SCC#N	107900288	AEEWRYVOTNWWGT-UHFFFAOYSA-N	416.355	5.172	30	20	HKED	
C[C@@H](Sc1ccnc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2	111217070	KAGMXDMATCJDJE-CQSZACIVSA-N	407.564	5.556	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1	303010113	OPLHUWNUWVTQES-QHCPKHFHSA-N	412.493	5.895	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccc(C(C)(C)C#N)cc1	303078609	ZWEZLHQXXIHIJQ-UHFFFAOYSA-N	401.944	5.887	30	20	HKED	
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1	303171092	RMJRGQYDYBKLHT-UHFFFAOYSA-N	417.896	5.269	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	303212699	RSDCPWORWRFNCM-KRWDZBQOSA-N	418.518	5.265	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)nc2ccccc21	303455527	MCGQUBRYVSGZAY-KRWDZBQOSA-N	403.388	5.134	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1	429814166	UGKSOMYVZLHKFD-UHFFFAOYSA-N	415.474	5.227	30	20	HKED	
C[C@H](c1ccc(C#N)cc1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	430732067	YPTBTMIBAYOACB-BLVKFPJESA-N	414.292	5.094	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C#N)ccn1	430827040	JVBSGJAWHCAYIM-UHFFFAOYSA-N	401.253	5.291	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c1	431831491	GQGYSMZDDYKOET-QGZVFWFLSA-N	407.367	5.197	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1	431846386	RAVIFTWSNVXHQZ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COc1ccc(CSc2nnc(SCC#Cc3ccc(F)cc3)s2)cc1	433370884	JUCCPVJFCUZYDM-UHFFFAOYSA-N	402.541	5.122	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccoc3Cl)s2)c(C(F)(F)F)c1	433612510	MLUHOLDJZLDJAZ-UHFFFAOYSA-N	411.792	5.123	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccccc1)N[C@H](c1cc(F)ccc1F)C(F)F	433621677	LGXDORAWSPZCBN-HUUCEWRRSA-N	408.317	5.264	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	433728132	LGCPSTFQIONFIK-KDOFPFPSSA-N	419.472	5.317	30	20	HKED	
C[C@H](c1ccccc1)n1cnnc1SCCC(C#N)(c1ccccc1)c1ccccc1	434650437	MXGIATSPUKTFBV-OAQYLSRUSA-N	424.573	5.879	30	20	HKED	
CN(Cc1ccccc1NCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1	435050881	AKWORIRZOWZQCN-UHFFFAOYSA-N	422.536	5.107	30	20	HKED	
C[C@H](SCc1ncnn1CCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	442562735	XKEWTTRYLDRUQC-VIFPVBQESA-N	401.351	5.280	30	20	HKED	
COc1ccc([C@@H](NCc2ccccc2C(C)(C)C#N)c2ccccc2OC)cc1	443460755	MIXXDVUIOPDKKM-RUZDIDTESA-N	400.522	5.384	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2c(F)cc(F)cc2F)c1	443915920	LCJBFWIVXASKDB-UHFFFAOYSA-N	402.759	5.674	30	20	HKED	
C[C@H](c1ccco1)N(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CC1	444402101	ZGFJDUBVHRIXNQ-GOSISDBHSA-N	415.493	5.682	30	20	HKED	
C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3ccccc3OC)n2)CCCC1(C)C	444780760	FOFDKOIZXICFQD-OAQYLSRUSA-N	413.587	5.403	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)on2)c1	447445000	ZRCRFJRFFGMAGN-UHFFFAOYSA-N	421.762	5.060	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(C(F)F)cc1	460663733	UDAOWGBNKAKAGZ-UHFFFAOYSA-N	405.445	5.412	30	20	HKED	
C=CCN(C(=O)c1oc(-c2ccccc2)nc1C)c1nc(-c2ccccc2)cs1	462111190	KTHDYQYSOLLGKG-UHFFFAOYSA-N	401.491	5.606	30	20	HKED	
Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	462855913	WWUIPXOOWRSCGB-OAQYLSRUSA-N	405.885	5.279	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(Oc3ccccn3)c2)c1	464890554	HWDMLTWJUAROSP-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1	465516332	ARYSIOOKGICMSU-KRWDZBQOSA-N	423.969	5.616	30	20	HKED	
C=CC[C@H](C)NC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466508111	DAGLGCZJCXONOY-AAEUAGOBSA-N	408.365	5.206	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1	469060819	RRVWSWXMUGJGAX-MRXNPFEDSA-N	415.522	5.233	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(F)c(-c4cccs4)c3)ccc21	469246688	TXEZQKBGAIIWGO-UHFFFAOYSA-N	419.525	5.749	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1OC(F)F	469280835	XDDNAIMBDKAYSQ-AWEZNQCLSA-N	417.431	5.183	30	20	HKED	
CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	470078676	LAQXLSFQRFZJTH-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1	475178378	YKDIOFFZQMTMOZ-OALUTQOASA-N	407.583	5.178	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Nc2cccc(OC)c2)CC1	475569113	PABGMLBNYOFWCD-UHFFFAOYSA-N	407.558	5.656	30	20	HKED	
Cc1ccc(-n2cccn2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	476114634	WHEVVLXQHQKRAO-UHFFFAOYSA-N	410.502	5.456	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1	476803639	ZGDRSVRGILUDQY-UHFFFAOYSA-N	405.325	5.214	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(F)c(F)c1	477742634	MIWMABMQKMBSSB-XGRCMKMKSA-N	400.469	5.049	30	20	HKED	
C[C@H](c1ccccc1)N(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C1CC1	480366190	LPLAXDMZLFEBOC-OAHLLOKOSA-N	405.889	5.155	30	20	HKED	
C[C@@H](NCc1cc(Br)ccc1Br)c1ccc(C#N)c(F)c1	480668609	LREATOSYRNORGB-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(COCCOCC)c1C)c1ccc(F)c(F)c1	481254513	ICLRAPAUWJFUID-QFIPXVFZSA-N	418.484	5.265	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2nccc3ccccc23)c1	483238799	RNWQLJIYAHRIHG-RUZDIDTESA-N	405.501	5.357	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2nc3c(cc2C#N)CCCC3)c1	484139551	HKUDTPLUAIMJKR-UHFFFAOYSA-N	424.932	5.112	30	20	HKED	
COCCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CC[C@@H](C)C1	484183237	XHNXNVJBYINBJJ-XXBNENTESA-N	421.541	5.001	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc3cc(Br)cnc23)C2CC2)cc1	486802746	XHDOMRVOURTAJP-UHFFFAOYSA-N	421.298	5.065	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1	487284281	DBAXEBNBLFRBDD-RUZDIDTESA-N	409.489	5.302	30	20	HKED	
N#CCCC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1	487311058	BQNFCVWGTQZQOS-KRWDZBQOSA-N	421.722	5.033	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)N[C@@H](CCCC#N)c2ccccc2)c(Br)c1	487372804	OUUDEEFTHUSBAP-APWZRJJASA-N	415.331	5.076	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](CCCC#N)c1ccccc1	487571069	WCPZLHCILLSECM-WIYYLYMNSA-N	413.359	5.569	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1	487576033	QAEFZAVQHUCSJD-HXUWFJFHSA-N	409.436	5.104	30	20	HKED	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	491481715	NDAHHSGBFJAZJW-WIYYLYMNSA-N	423.582	5.231	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccsc4)s3)n2)cc1	492121521	GSRYPFFQMYLFGS-HNNXBMFYSA-N	423.544	5.494	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCC[C@@H]1Cc1ccccc1	493504696	SQBOQMZMUWJMNJ-NRSPTQNISA-N	407.583	5.020	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cccnc1	496499260	UPVTXUILSFJWNB-UZUQRXQVSA-N	419.912	5.012	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1F	499595958	XRIGNFPHFSULGO-MRXNPFEDSA-N	421.447	5.493	30	20	HKED	
Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)no1	501837857	CLXWNDSAERHCCC-OAQYLSRUSA-N	416.481	5.108	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	502690184	KLDZRRIKJQFMTH-CQSZACIVSA-N	409.374	5.328	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ncc(Cc4cccc(F)c4)s3)CC2)cc1	503625451	FZFVBXWPGXPYAM-UHFFFAOYSA-N	418.497	5.066	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1c(Cl)cccc1Cl	505508267	WNVFVSAMWSWISM-INIZCTEOSA-N	402.306	5.040	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C	506861141	XSEZCOULBQWBOQ-UHFFFAOYSA-N	401.514	5.445	30	20	HKED	
C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C#N)cc1F	512649519	SKBFDGHZQIZYIS-LJQANCHMSA-N	410.496	5.460	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)o1	513038806	SBWQRMQOGUFPPW-KOUNCHBCSA-N	412.489	5.281	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	515518567	LFQWSYRFZMFEFF-KRWDZBQOSA-N	417.534	5.298	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccc(F)cc4c3C)n2)cc1	516714219	VMGLOXVCCMBPPK-KRWDZBQOSA-N	406.438	5.503	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccc(C#N)cc1	516836265	CDDJOGITRLCELP-OYHNWAKOSA-N	407.876	5.501	30	20	HKED	
CC(C)Sc1ccc(Cl)cc1NCC(=O)Nc1ccccc1SCC#N	517933220	AZHCPBJDSPLJIK-UHFFFAOYSA-N	405.976	5.507	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(F)cc1	518147736	IRHPLUDHPLWUJX-HNNXBMFYSA-N	408.502	5.078	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1C(=O)NC(C)C	518184577	INFHBGHXFABXAT-UHFFFAOYSA-N	413.477	5.050	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(COc2ccc(C#N)c(F)c2)cs1	518745850	UHGFAUMZFQZFSN-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N(c1ccccc1)C1CCCCC1	520827515	IOBWKAVPJJRTEL-LJQANCHMSA-N	407.583	5.716	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(-c2ccccc2)cs1	522489108	KRAVPUXUBRBEKI-CYBMUJFWSA-N	423.469	5.702	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC1	524936107	QLBQXGNDXAHLTB-UHFFFAOYSA-N	421.916	5.156	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)c1ccccn1	526109014	FFPCVHOUFUBHDW-GOSISDBHSA-N	418.905	6.264	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccccc1Cl	533245117	FSZXIUWZXIXBAT-MRXNPFEDSA-N	401.963	5.195	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(CC#N)cc2)cc1	535332371	MEOPEOBMLOCSCT-UHFFFAOYSA-N	411.505	5.555	30	20	HKED	
Fc1ccc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C(F)(F)F)c1	538329072	JDCAHDJGFAOYGE-UHFFFAOYSA-N	421.360	5.017	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1	540149736	YWGNHMGYUYUZJR-FOIQADDNSA-N	411.489	5.467	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccccc1	540378293	FCZGLKXZUTZGBF-QAPCUYQASA-N	421.488	5.160	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)s1	540604776	VTWKFLWBAYFFJU-IBGZPJMESA-N	401.304	5.401	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	544073161	RLTQQXDMXXKIIH-GFCCVEGCSA-N	421.931	5.231	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	553119464	MXIZQXACOSOKRS-OTXOEQGISA-N	423.523	5.518	30	20	HKED	
Cc1cc(CN2CCSCC2)ccc1NCc1ccc(C#N)cc1C(F)(F)F	555095434	YQRGXTVJDSHDNO-UHFFFAOYSA-N	405.489	5.046	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1	555860416	GIXXHLNSGQYFFU-GOSISDBHSA-N	404.485	5.494	30	20	HKED	
CCN(C(=O)c1ncc(C#N)cc1C)[C@@H](c1cccnc1)c1csc2ccccc12	556080868	KTNKABFYKOKQLK-QHCPKHFHSA-N	412.518	5.123	30	20	HKED	
Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)sc2ccc(C#N)cc12	556279449	ZZAKSMQUZWFNEA-DYESRHJHSA-N	417.578	5.207	30	20	HKED	
Cc1c(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)sc2ccc(C#N)cc12	556599682	BLAVNTNXUMMNMY-UHFFFAOYSA-N	400.463	5.261	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NC1(c2cccc(C#N)c2)CC1	557206324	HJTVTHNUFPDIMJ-AWEZNQCLSA-N	407.926	5.046	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1coc2ccccc12	560493721	BJGGQBJQAZQOOU-UHFFFAOYSA-N	404.413	5.639	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3sccc3C#N)c3cnn(C(C)C)c3n2)c(C)o1	561269425	IZLNGZXQJRBGAS-UHFFFAOYSA-N	405.483	5.075	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCCC)CC1	573047386	JAKCRXZWQSOGIO-SFHVURJKSA-N	421.010	5.195	30	20	HKED	
CC[C@@H](N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1	577227254	SZXYBOICKHDDRA-LKRITZJLSA-N	407.989	5.866	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3cc(F)ccc3C#N)C2)n1	577820894	LWZMDODLBMFZSF-QGZVFWFLSA-N	407.514	5.209	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)cc1	582445861	MUVYSICQOYPBQT-UHFFFAOYSA-N	410.477	5.103	30	20	HKED	
CC(C)(C)c1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1	588348931	ICOJRFRMNJBCMC-JTQLQIEISA-N	403.479	5.332	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2F)sc2nc(C(F)(F)F)ccc12	590234230	MYONZOKIFQLPFQ-UHFFFAOYSA-N	422.325	6.034	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc2cc(F)ccc2s1	592973499	GAXGQEJEGGWJRN-JTQLQIEISA-N	415.421	5.327	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1OC1CCCC1	592974515	ZWQXXTZXJDEBAH-MRXNPFEDSA-N	410.470	5.255	30	20	HKED	
CCOc1ccc(Oc2ccc(NC(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1	603650019	PSRDRAKBQFGKQM-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cs1	603656425	WDRZPTLGJQVNPJ-UHFFFAOYSA-N	410.568	5.345	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)cc1	604004268	ZAUJUGMTGJZKHH-UHFFFAOYSA-N	410.395	5.603	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(C)c1	604083584	NCIYEYSCNHZTRM-QGZVFWFLSA-N	404.539	5.447	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	604275975	DLVOQZBDZALRSZ-HDICACEKSA-N	412.377	5.788	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1	604929757	SCHQBZHANNNTDP-KRWDZBQOSA-N	412.836	5.370	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccnc1	609080630	QGQGQVVBDRCKBS-OAHLLOKOSA-N	406.873	5.068	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c1	609372334	TVDPCZSHIDMFJA-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	609601231	XOQOXBQGQDUUDF-UHFFFAOYSA-N	413.437	5.072	30	20	HKED	
CC[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)c1ccc(F)cc1F	609996306	SYCSAHONMUXCRA-QFIPXVFZSA-N	422.479	5.240	30	20	HKED	
CC(C)c1cnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1C(C)C	610034221	ZQNOJWUTGNOWGE-INIZCTEOSA-N	416.616	5.570	30	20	HKED	
N#Cc1cn(CCCCOc2ccccc2C(F)(F)F)c2ccc(Cl)cc2c1=O	610166570	OYFLIVZWAAYZHU-UHFFFAOYSA-N	420.818	5.405	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1	611127130	YDSRAXCTSOXCPA-DHIUTWEWSA-N	416.550	5.099	30	20	HKED	
C[C@@H](NCc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1cccc(C#N)c1	611386206	CWQHCOKDSMVBRY-QGZVFWFLSA-N	400.913	5.460	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N2CCC[C@](C)(C#N)C2)nc1-c1ccc(Cl)cc1	612141801	AMXLSAAJLYWFRD-ZUOKHONESA-N	402.951	5.168	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2c1C	613318761	CUUOICKDBIDRSD-SFHVURJKSA-N	405.910	6.052	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCc2sccc2[C@H]1c1cccs1	618842204	JMHHHYNBGYLAPK-NQIIRXRSSA-N	405.548	5.026	30	20	HKED	
CCO[C@@H](c1noc(CCCC(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F	685402509	ZVMOPKIJBZWWAY-CYBMUJFWSA-N	400.294	5.238	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2CCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	685782492	CLQBWDFUWUOHCM-GOSISDBHSA-N	417.534	5.423	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccsc2)nc1C	726233644	POSTUQLMZDQEAB-UHFFFAOYSA-N	424.547	5.192	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CON=Cc1cccc(OCc2ccncc2)c1	727433698	BLJWNISPWXEQFB-UHFFFAOYSA-N	405.479	5.236	30	20	HKED	
C[C@H](OC(=O)CSc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1	728676537	WAPNOPYCMYKFGN-KRWDZBQOSA-N	416.502	5.207	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4cccc(C)c34)n2)cc1	729081913	MDZQPPMQCXKOTB-SFHVURJKSA-N	401.491	5.027	30	20	HKED	
N#CCOc1cccc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)c1	730150386	TXCNVQIUOWDPEH-FOWTUZBSSA-N	406.894	5.578	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(SC(F)F)cc1	731028158	HLVLWJUUSWJUKG-CYBMUJFWSA-N	407.511	5.304	30	20	HKED	
Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2c(C)cccc12	731074666	SVZKAASXYHRYNB-AWEZNQCLSA-N	422.506	5.097	30	20	HKED	
O=C(/C=C\c1c(OC(F)F)ccc2ccccc12)c1ccc(C(F)(F)F)nc1O	731565001	XMOKBXHEHHBGDT-VURMDHGXSA-N	409.310	5.457	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccnc3SC(F)(F)F)n2)cc1	733679945	QGEIUJATMGOIQN-CQSZACIVSA-N	419.453	5.616	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCCc2ccc(Cl)c(Cl)c2)c1	733775459	VYRGRSUWFVXENJ-QGZVFWFLSA-N	405.325	5.313	30	20	HKED	
CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	735567936	XTOOPZSYZRAOKB-UIOOFZCWSA-N	424.548	5.777	30	20	HKED	
N#C[C@H](C(=O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2)c1nc2ccccc2o1	735770552	SIBYMCXMXQEEMY-MDWCYVBFSA-N	404.897	5.707	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@@H](c4ccccc4F)C3)c2)s1	740063935	GURASWSDUKLHMK-GOSISDBHSA-N	405.498	5.125	30	20	HKED	
CCCOc1c(Cl)cc(/C=C\C(=O)c2c(Cl)nc3sccn23)cc1OC	741846568	CZJWGKMBTRKUSA-PLNGDYQASA-N	411.310	5.396	30	20	HKED	
O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741852141	KGBOZVXPMXISFJ-WAPJZHGLSA-N	423.239	5.226	30	20	HKED	
O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccc(N2CCCCC2)c(F)c1	743056444	GTMNWJJJGLHYPY-IZZDOVSWSA-N	403.457	5.294	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Sc1ccccc1	743092681	AJXNPJWNRWACOH-FDDCHVKYSA-N	401.535	5.644	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1C(F)(F)F	744117090	UCLKRONEFUQTNK-KOTGUFOOSA-N	404.388	5.734	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)c1cccc(F)c1	747106217	NUZGOEYBIVVJNB-IAQYHMDHSA-N	400.862	5.174	30	20	HKED	
CC[C@@H](C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	750683456	DIQCVTKCYAKCMG-MLGOLLRUSA-N	405.281	5.132	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(Br)c(F)cc1Cl	751352153	SKQAUUMCOWHJSL-UHFFFAOYSA-N	422.641	5.058	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2ncnc3oc(-c4ccccc4)cc23)ccc1OC	752635364	MZDIVRMPXJMQNF-GOSISDBHSA-N	414.465	5.191	30	20	HKED	
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)CCC2=O)cc1C	760453790	TWUIXXCQPACJNR-RBUKOAKNSA-N	421.566	5.079	30	20	HKED	
COc1ccc2c(c1)OC[C@H]2CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	760969649	PLINAQSZWYOADR-KDOFPFPSSA-N	424.909	5.215	30	20	HKED	
CC[C@@H](OC1CCCCC1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	761047924	LCFTVZKSLIDXIY-GDBMZVCRSA-N	410.461	5.619	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	761664539	MCSVEKUNQJCSJQ-QGZVFWFLSA-N	407.367	5.116	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(SC4CCCC4)cc3)CCO2)c1	761838547	KMRSYTPZIJEFNO-JOCHJYFZSA-N	407.539	5.198	30	20	HKED	
CN(C)C1CCN(c2ccc(NC3CCC(C#N)(c4ccccc4)CC3)cc2F)CC1	770419856	DOESOPMABZQFJO-UHFFFAOYSA-N	420.576	5.172	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc(NC2CC2)nc1C	771006510	VLAPHNOKYRWEKV-UHFFFAOYSA-N	404.495	5.251	30	20	HKED	
CC(C)(C)C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(F)cc1	775140122	YJHPZMIUYKNDFU-CTNGQTDRSA-N	416.500	5.130	30	20	HKED	
N#CCc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	776867341	HMPGBAYFLYCTDL-UHFFFAOYSA-N	424.331	5.226	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1cccc(C(F)(F)F)c1	780668624	CEZLEJBEFLQUOR-KUHUBIRLSA-N	405.420	5.515	30	20	HKED	
CO[C@H](C)c1nc(COC(=O)c2ccc(Sc3ccccc3C#N)cc2)cs1	783982825	OGBPOTOJSMUCMZ-CQSZACIVSA-N	410.520	5.230	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccccc1)c1ccc(Cl)cc1Cl	787047842	DHZYQPGEOWZMKI-QWQRMKEZSA-N	403.309	5.073	30	20	HKED	
COc1ccc(/C=C2\N=C(S[C@@H](C)CCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1	787488721	VGIXIYWZWCPYCJ-CEZZIEKDSA-N	419.550	5.481	30	20	HKED	
Oc1nc2ccccc2cc1C=Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1	788316807	AGKWAQQWFGPUIO-UHFFFAOYSA-N	411.248	5.580	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1	790629840	RVGLVLSOBQCOQC-DHIUTWEWSA-N	403.526	5.345	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OCc3cccc(F)c3)cc2)cc(OC)c1OC	796991453	AEPQOYDRVMLSGH-XFXZXTDPSA-N	422.452	5.327	30	20	HKED	
C=CC[C@@H](OC(=O)c1csc(-c2ncccn2)n1)c1ccc(Cl)c(Cl)c1	797553141	CUQRWVYVAVBHRL-OAHLLOKOSA-N	406.294	5.381	30	20	HKED	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	801615046	ZQJVFRPHZBPHQU-UHFFFAOYSA-N	416.481	5.285	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCc3c2[nH]c2ccc(C)cc32)ccc1OC	808705266	CDUFIHVTCOEHFW-PGRDOPGGSA-N	403.526	5.333	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)cc2)ccn1	810821772	OHSBMTXAUQNVDV-LJQANCHMSA-N	415.346	5.414	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc2nc(O)[nH]c2c1	812443880	ZVLOELOWYHAFTQ-UHFFFAOYSA-N	414.494	5.085	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F	812918708	CCKASVGPAZADGU-NJYVYQBISA-N	415.459	5.927	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1	813218131	MHEGUPBQRRYHDI-IAQYHMDHSA-N	400.322	5.489	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1	914487542	OJJOABJNSJKAER-UHFFFAOYSA-N	413.399	5.074	30	20	HKED	
COc1ccc(C=NNc2nc(-c3cn(CCC#N)c4ccccc34)cs2)cc1	916221721	GZQMHHVZQRJAAD-UHFFFAOYSA-N	401.495	5.133	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(SCc2ccccc2)cc1	916910264	GTYJJRRSQXTNFQ-LJQANCHMSA-N	420.921	5.593	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C(F)(F)F)cc3)n2)cc1	916972584	OMJMMZGECFINHV-QGZVFWFLSA-N	400.425	5.556	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1	921252247	FYHMKMUEAVKFIM-ICSRJNTNSA-N	412.967	5.804	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(C5CC5)cc4)cc3)CCC2)C1	1790781888	OUTPDNIDVUVYAI-UHFFFAOYSA-N	400.522	5.278	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1	1831599560	SYTILJAEBOTJJJ-PXDATVDWSA-N	424.629	5.184	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1Cl	12832437	CRCKFJHLLXAHCH-UHFFFAOYSA-N	420.683	5.745	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1C/C(O)=N/c1nc(C(F)(F)F)n[nH]1	45571481	FJZMMRRUTHYYMU-UHFFFAOYSA-N	411.387	5.178	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1OC(C)C	57090090	QTOTYTWXTWAQEA-UHFFFAOYSA-N	417.465	5.102	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1	303517892	CLOGRWCCBCBWEL-UHFFFAOYSA-N	411.461	5.072	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(Br)cc2Br)cc1	318292484	KDDLFPPIYDWMFO-UHFFFAOYSA-N	422.120	5.265	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(C)cc1	429114733	MQELYNJUMJTGAK-QGZVFWFLSA-N	412.415	5.037	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)c3cccc(SCC#N)c3)s2)cc1	430599187	VOJXOMVDFXSUDV-QGZVFWFLSA-N	421.591	5.876	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C	431367299	BVLQODIUXSQOSM-HRAATJIYSA-N	423.582	5.089	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1nc2ccccc2n1C(F)F	431771443	WEBVQJNMEGSANR-NVXWUHKLSA-N	411.456	5.227	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc1	431819204	XVZWFHJZCAIYCL-UHFFFAOYSA-N	421.932	5.072	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1OC	432184173	DLCCRVQKBOFZAW-OAHLLOKOSA-N	413.905	5.204	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2cccc(Cl)c2)C1	433294651	AEYFIQYQNDSCCI-WMZOPIPTSA-N	413.974	5.020	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436031576	KODKUBOCFPJQNU-OCTTZUBCSA-N	421.303	5.794	30	20	HKED	
CC[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1	436056736	ZAEBEGBSFKJAMN-HNNXBMFYSA-N	403.338	5.694	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1ccccc1OCC(F)(F)F	437455377	SWRQXSVFMDFUKS-UHFFFAOYSA-N	414.836	5.025	30	20	HKED	
CCCc1c(N[C@@H](C)c2nc(C(F)(F)F)cs2)cnn1-c1cccc(C#N)c1	439060547	ZBJWPGXWNUWFOP-LBPRGKRZSA-N	405.449	5.345	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1	439313604	HOQFRDQBAUEMQE-MOPGFXCFSA-N	413.905	5.064	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccccc1SC[C@H](C)C#N	439497715	INVLWOTUAHFIFK-OAHLLOKOSA-N	405.527	5.291	30	20	HKED	
C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1noc(Cc2ccccc2)n1	444688263	YFHPGAWXCSFKEG-OAQYLSRUSA-N	422.532	5.211	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1cncc2ccccc12	462484748	LBZLYZYZADTKFK-UHFFFAOYSA-N	421.500	5.565	30	20	HKED	
CC[C@H](c1ccccc1)[S@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	462992393	PEXPQDNDYNLYOI-FYBSXPHGSA-N	419.546	5.546	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1	463240714	VLIRNTSQPUOOME-AEGPPILISA-N	404.377	5.614	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	463749579	YKVLRVHDJDLJBK-SFHVURJKSA-N	419.699	5.136	30	20	HKED	
C[C@H](C(=O)N(C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	464339953	UAAWWPRTRVEBSN-YVEFUNNKSA-N	414.349	5.443	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)sc2C)cc1	464408430	DIGNIRNPIJECQO-QGZVFWFLSA-N	416.424	5.636	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(-c3cncnc3)cc2)cc1	464958811	IDPDVSYRMIELHO-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)nc(C)n1	466975422	YEKTUCRGKZMTDY-KRWDZBQOSA-N	412.276	5.683	30	20	HKED	
CCOc1cc(Cl)ccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	469489097	BFNFHFYXUYWALQ-UHFFFAOYSA-N	422.916	5.385	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1C#N)[C@@H](c1ccccc1)C2	470404034	NCTUYSUTPSWNQN-HSZRJFAPSA-N	401.441	5.037	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	471829589	DKEDHSKDEMJQPK-LJQANCHMSA-N	401.514	5.115	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCSC[C@H]2c2nccs2)cc1	472099238	CWBUZNJTDZCZFN-IBGZPJMESA-N	421.547	5.046	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	472683920	HIEOAIUCAKKKEY-UHFFFAOYSA-N	402.494	6.058	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ccccc2C#Cc2ccccc2)cs1	472855475	RFFAVOROOIQZML-GOSISDBHSA-N	419.550	5.304	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nnc(-c2ccccc2F)n1-c1ccc(Cl)cc1	480382741	IZUKXFUJQRFNPM-AWEZNQCLSA-N	411.893	5.262	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1Br)c1ccc(OCC(F)(F)F)cc1	481331906	RDOTZVWIVRHPIE-GFCCVEGCSA-N	413.237	5.113	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](c4ccccc4)C3)cc2F)c1	481748330	ZCQWGKVEAUXXLM-NRFANRHFSA-N	415.468	5.298	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(Br)ccc2Br)cc1	482171386	VGYLDWPCMGDEHL-UHFFFAOYSA-N	411.093	5.029	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(F)c1C#N	487790465	ZSCADDPVLPIAKZ-UHFFFAOYSA-N	424.497	5.009	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2cccc(F)c2C)nnc1-c1cccc(C)c1	488079048	KBTRETVQVDIKMY-UHFFFAOYSA-N	410.518	5.008	30	20	HKED	
O=S(=O)(Cc1cc(F)c(C(F)(F)F)cc1F)Cc1ccccc1C(F)(F)F	488775843	WIQXILJVBVUUMX-UHFFFAOYSA-N	418.305	5.117	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cc(F)ccc3s2)cc1	490653548	VBKRWORCFZEJTA-UHFFFAOYSA-N	416.477	5.938	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	496246569	QPKMZVALYJADDE-BBHUYCHWSA-N	421.541	5.050	30	20	HKED	
COCc1nc(Oc2ccc(C#N)cc2Cl)c2c(-c3ccccc3)csc2n1	498669395	VOZZWJKOAWTMFC-UHFFFAOYSA-N	407.882	5.822	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)c1ccc(Br)cc1	499402929	BWQYJOXYBUMKAN-YCPHGPKFSA-N	424.125	5.240	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)cc1C(F)(F)F	499516041	HSPSOBARHWBAPJ-UHFFFAOYSA-N	404.335	5.327	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1	499859762	GZOAPFAHYXXCBK-HXUWFJFHSA-N	405.816	5.138	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc([C@@H]4CCCOC4)c3)n2)cc1	500467712	WWAOGWQYRAGQEF-NHCUHLMSSA-N	413.502	5.066	30	20	HKED	
Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	501448528	HOHXKHBJYZWSLY-IBGZPJMESA-N	400.478	5.046	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccccc2F)cc1Cl	503668775	ZDEKIWWFJHSYIM-LJQANCHMSA-N	423.875	5.335	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCc3ccc(-c4ccccc4F)o3)CC2)cc1	503876389	QOTBGDYTZPVNMI-UHFFFAOYSA-N	400.453	5.206	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[C@@H](C)c1ccc(C#N)cc1	504329062	NQBQZVJIPDTLTF-SFHVURJKSA-N	412.493	5.426	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	513208940	CKRLYQDYISRZPK-LJQANCHMSA-N	413.521	6.222	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1	513726960	CMADTSKADXKRKY-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)CCCCOc3cccc(C#N)c3)cc2)cs1	517655555	IGWWCLKATQESAV-KRWDZBQOSA-N	419.550	5.417	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)nc4onc(C(C)C)c34)n2)cc1	519947475	KRTAANJPJOXCCC-KRWDZBQOSA-N	416.506	5.577	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2oc3ccccc3c2c1	520135122	QPHMWYGFQCTFTI-UHFFFAOYSA-N	401.422	5.714	30	20	HKED	
CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	520713714	ZVCIZNVGHAJPMG-UHFFFAOYSA-N	417.440	5.336	30	20	HKED	
COCc1c(C(=O)Nc2ccccc2SCCC#N)sc2cccc(F)c12	520806748	NFJBAUBTSOWMDY-UHFFFAOYSA-N	400.500	5.445	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1	522527662	SNSXUIATHFRRST-SSEXGKCCSA-N	416.546	5.525	30	20	HKED	
CCc1ccc2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2c1	523228497	HQYONOSXZOJPMW-UHFFFAOYSA-N	403.463	5.155	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cc2)cc1	524073979	IPPBXGJJINKKPZ-JOCHJYFZSA-N	401.466	6.093	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1NC(=O)CC(C)C	525133231	DQSHVALKXKHWHI-UHFFFAOYSA-N	411.505	5.027	30	20	HKED	
COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc12	530853685	JYEUUDADFLINJF-NSHDSACASA-N	418.316	5.009	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)s2)cc1	530964948	GNKGNGNGDODBIG-NHCUHLMSSA-N	417.534	5.039	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1noc(-c2ccccc2)n1	531863491	FPRSNYGNHHHKOF-GOSISDBHSA-N	410.477	5.038	30	20	HKED	
C=CCn1c(SCc2nc(C)c3ccccc3n2)nnc1-c1cccc(Cl)c1	532270452	HCNOCXLJFNBWEJ-UHFFFAOYSA-N	407.930	5.328	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1cccc(Cl)c1	533241077	MPTINIPUPNOBEY-UZLBHIALSA-N	413.974	5.510	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1C	534165083	AVJCMGYZLLMCQS-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCO[C@H](C)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	537348946	GAFSXXRHPLAVBD-XMSQKQJNSA-N	418.562	5.811	30	20	HKED	
CC(C)[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCO1	539029656	MTDHFLIZXRAQBO-UTKZUKDTSA-N	413.905	5.329	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccccc1	539359452	CWDMZAZHQSHFLM-HXUWFJFHSA-N	400.482	5.497	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)cs1	542513775	SFJBTBKJICKPKI-CQSZACIVSA-N	411.458	5.180	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2cccc3ccccc23)C1	542954756	GBVQQFARFQLCFQ-SFHVURJKSA-N	413.546	6.023	30	20	HKED	
Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1Cl	542994226	LMYNVXMUVIVNRJ-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1ccccc1Sc1ccccc1C#N	544066395	BKRGEFZZRZRVMU-UHFFFAOYSA-N	416.550	5.972	30	20	HKED	
COCc1noc([C@@H](C)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	544093642	LVBAVABARINSOK-GFCCVEGCSA-N	418.375	5.072	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	544451976	KQABOILGLYNLNJ-RDJZCZTQSA-N	404.539	5.154	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cc2OC(F)F)o1	546526714	LCMYBJIWIMGQPI-UHFFFAOYSA-N	418.783	5.237	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)nc(-c2ccc(Cl)cc2)n1	550640791	CQFOJYWIXLSXNH-HNNXBMFYSA-N	416.790	5.009	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12	552961963	YNNUTWKQIUSXBX-UHFFFAOYSA-N	414.553	5.886	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	553325707	GNQDAISYLUBZAV-GHTZIAJQSA-N	421.972	5.223	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCc1ccc(Br)s1	553450767	MWZYJYBENUIMDY-UHFFFAOYSA-N	424.408	5.216	30	20	HKED	
N#CCCC[C@@H](N[C@@H]1CCSc2ccc(Br)cc21)c1ccccc1	559863725	LOZXRPHFRURYMH-RTBURBONSA-N	401.373	6.011	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(-c2cccc3cccnc23)cc1	567306868	NDAMBXMYEWMYDJ-UHFFFAOYSA-N	421.500	5.062	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)C3(CCOCc4ccccc4)CC3)cc2)ccn1	568134678	AQUKWCQZPQQTJQ-UHFFFAOYSA-N	413.477	5.071	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[C@@H]1[C@H]1CCCO1	568690561	FGLUUFLNOXFDPH-NHCUHLMSSA-N	410.901	5.034	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2cccc3cccnc23)cc1	570100935	ZDYHDJHXANJGSF-UHFFFAOYSA-N	412.489	5.206	30	20	HKED	
C=C(C)Cn1c(C2CCC2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1	572545174	DWRPAIUKUCBKBZ-UHFFFAOYSA-N	411.937	5.300	30	20	HKED	
COc1ccc(Oc2cc(CNCc3ccc(C#N)cc3C(F)(F)F)ccn2)cc1	573646641	CXEYRRYHGZFXAU-UHFFFAOYSA-N	413.399	5.063	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)COc3c(Cl)cccc3Cl)cc2)ccn1	574491887	FWJHZAXOPROPLL-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)C2(c3ccccc3)CC2)nnc1-c1ccccc1F	580237215	GHGQCDKZVAGDRK-MRXNPFEDSA-N	407.514	5.052	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(=Cc2cccc(F)c2)CC1	581582587	SSZLHHWYZLUIHS-GOSISDBHSA-N	423.557	5.195	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCC[C@@H]2c2ccccc2)ccc1OCC(F)(F)F	583354640	CDXFSIXPNJALHJ-GOSISDBHSA-N	403.404	5.258	30	20	HKED	
CC(C)(CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)CC(=O)c1ccccc1	583596120	WPOOGSALKDQHIL-UHFFFAOYSA-N	413.477	5.373	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2c(cc1C#N)CCCC2	585688319	KKILRUQNQMKSMX-UHFFFAOYSA-N	407.583	5.810	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc(C)nc21	587988858	ZUNPWEUGCUQMAO-DOMZBBRYSA-N	423.929	5.464	30	20	HKED	
Cc1cc(C)n([C@H](C)CC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)n1	603737424	HIIGRDQFAHYUBM-LJQANCHMSA-N	404.489	5.004	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2	604342911	GAYGGQAMUOHRAS-UHFFFAOYSA-N	414.509	5.188	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	608786307	KXKHGPCWLIIFNH-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	609254398	PTTYZAAVVZATDA-UHFFFAOYSA-N	409.358	5.432	30	20	HKED	
CSCc1c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)oc2ccccc12	609462497	VHMPOTAMGYGKDK-INIZCTEOSA-N	404.413	5.309	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1	609723368	KQDJHPGKYIUWLB-UHFFFAOYSA-N	419.893	5.678	30	20	HKED	
COCCOc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609725075	CACUYDAVPVEWJG-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1	611482784	FRRCQYFUOWIRNY-RUZDIDTESA-N	416.546	5.163	30	20	HKED	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c12	613290797	LTEBKPDHKIASPE-KRWDZBQOSA-N	423.501	5.044	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCCOc1ccccc1)c1ccc2ccccc2n1	613291088	TVPCWPCBVXCIEY-JOCHJYFZSA-N	408.457	5.183	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cccs4)n3)n2)cc1	613318233	RLZZMQAEXKTQSZ-CQSZACIVSA-N	407.545	5.794	30	20	HKED	
CC(C)c1ncncc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613344936	XENXQNXZAZOJEW-ZDUSSCGKSA-N	417.321	5.520	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)c2C2CC2)cc1Cl	618789725	OGMWIPBUJTXGHI-JOCHJYFZSA-N	416.912	5.001	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc1Cl	619767926	FTSIQKFRGAWVPB-SFHVURJKSA-N	418.722	5.021	30	20	HKED	
O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CC[C@@H](CC(F)(F)F)C1	622557549	MRXJMRQNZQVSEG-LBPRGKRZSA-N	419.340	5.926	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(Cl)c1)c1nc2cc(F)ccc2s1	675643575	BSVCAQZZNYAZBH-JTQLQIEISA-N	409.667	5.341	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	679881548	NZVUYYQYWMJBTC-QGZVFWFLSA-N	421.378	5.707	30	20	HKED	
CC1(NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)CCC(F)(F)CC1	681495195	SSWKUQPDMXBIMW-LBPRGKRZSA-N	416.337	5.159	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1Cl	726487513	GDBNUYKUXYFSKE-UHFFFAOYSA-N	423.394	5.227	30	20	HKED	
CC(=NNc1ccc(S(C)(=O)=O)cc1)c1sc(-c2ccc(Cl)cc2)nc1C	727651203	MYHURYVELDMSEI-UHFFFAOYSA-N	419.959	5.012	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)cc2)oc1C	728268098	HYSYIPXPSVNDAY-UHFFFAOYSA-N	410.477	5.490	30	20	HKED	
Oc1nc2ccccc2cc1/C=N\Cc1ccccc1-c1ccc(Cn2ccnc2)cc1	728785737	PDRFGYXJQQCHTL-RHANQZHGSA-N	418.500	5.471	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)c(Cl)c1	731646130	XZEKETAILBTSBG-CQSZACIVSA-N	418.505	5.404	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=S)Nc2c(Cl)ccc(C)c2Cl)c1	733755322	RAZSTQBNPOIIDW-AWEZNQCLSA-N	408.354	5.469	30	20	HKED	
C=CC[C@H](NC(=O)NC1(c2ccc(Br)cc2)CCCC1)c1ccncc1	734667390	CUUSJGGTCGMMTP-IBGZPJMESA-N	414.347	5.230	30	20	HKED	
CC(=O)Nc1cccc(OC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	734990812	BJADRGRXMPKIPA-UHFFFAOYSA-N	406.825	5.182	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCN(C)C(=O)OC(C)(C)C	742369012	YITPBUICYDCZIA-UHFFFAOYSA-N	423.513	5.245	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744035172	JAXKWQYFTFCSIZ-BXUZGUMPSA-N	422.859	6.339	30	20	HKED	
C=CCN(C(=O)N[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC)C(C)C	745915154	WSTGRMXNILVVNS-NRFANRHFSA-N	402.922	5.053	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	750396413	XIWMGPQFSOFWTJ-OAHLLOKOSA-N	423.881	5.439	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1	751232448	HRZJEPYJQQUYHB-QHCPKHFHSA-N	420.472	5.522	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1ncccc1C(F)(F)F	754705843	AMOOHHXEYAIRDJ-UHFFFAOYSA-N	421.854	5.568	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2Sc2ccccc2)c(Cl)c([N+](=O)[O-])c1	764302845	KHYOZVONWCAWSX-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC(C)(C)[C@H]2c2ccccc2)c1=S	764909191	NIRSNJBBORLMID-HXUWFJFHSA-N	405.571	5.093	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(OCc3ccccn3)cc2)cc1	765140329	SGWKIXPNSFBHGV-LJQANCHMSA-N	408.929	5.643	30	20	HKED	
CC(C)(C)OC(=O)NCC1(CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCCCC1	766275078	MFZJWKQSGPCBQQ-IBGZPJMESA-N	421.541	5.276	30	20	HKED	
C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1cccs1	768414153	DVFOLZIGUWKURW-UHFFFAOYSA-N	416.597	5.259	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1	770611764	NTVVSMSGUIJMNY-ZJSXRUAMSA-N	411.505	5.229	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](Cc2ccc(F)cc2)c2ccccc2)ccc1OC	774238219	UORVFLCCIRZRDY-DNQXCXABSA-N	418.512	5.589	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	775581097	GNWIWLLGZBKZID-HZPDHXFCSA-N	419.978	5.235	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1	776517385	QRWYENBCEMNADG-SFHVURJKSA-N	402.450	5.040	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1	776833827	WEBGBQUDHRRGKA-ROUUACIJSA-N	424.932	5.387	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)Cc2ccccc2CC#N)nc1-c1ccccc1	777406887	JWRQROXOJRSJKM-QFIPXVFZSA-N	413.521	5.437	30	20	HKED	
CC(C)Sc1cc(Br)ccc1/C=C1\CCc2nc(O)ccc2C1=O	779713280	KSMWAKYLTIEYKU-UKTHLTGXSA-N	404.329	5.263	30	20	HKED	
CC(C)c1cc(Br)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780613829	DIXOMVNPKLHSBO-CYBMUJFWSA-N	402.292	5.507	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1	789452580	STWFQUPZLSIVPX-GMAHTHKFSA-N	410.533	5.798	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(-c2cccc(C#N)c2)no1	790011619	WIGKNCVNICJVDH-GOSISDBHSA-N	423.472	5.322	30	20	HKED	
C[C@@]12CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C[C@@H]1C2(Cl)Cl	790732631	SOLHBFFGRXXYCA-PKOBYXMFSA-N	420.365	5.012	30	20	HKED	
C=CC[C@@H](NCc1ccc(OC(F)(F)F)c(Br)c1)c1ccncc1	792989187	XLFHUUQIDWSSHB-OAHLLOKOSA-N	401.226	5.150	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1	793584680	GXRQXWSVEUGLBY-XLIONFOSSA-N	407.514	5.298	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(F)(F)F)s1	796794597	WBMAXPGRTXVNJV-MRVPVSSYSA-N	407.200	5.035	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	802054122	GNSKWWNEYSZTED-BEFAXECRSA-N	403.507	5.024	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)OCc3nc(-c4ccccc4Cl)cs3)CC2)c1	803921612	DYVQVQGDGGCLMA-UHFFFAOYSA-N	412.873	5.249	30	20	HKED	
N#Cc1cccc(COc2ccc(N[C@@H]3CCO[C@H](C(F)(F)F)C3)cc2Cl)c1	809635912	LYAWBPRCMRSDST-APWZRJJASA-N	410.823	5.312	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCc3cccc(C#N)c3)c3c(C)noc3n2)c(C)s1	813306601	AQJZEXZGLFONBO-UHFFFAOYSA-N	403.463	5.105	30	20	HKED	
CC(=NNc1ccc(Br)nc1)c1sc(Cc2ccccc2)nc1C	814847662	XSZRBOUEKGGLBY-UHFFFAOYSA-N	401.333	5.036	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n1	915102539	WREUEQPTKRZVDN-MRXNPFEDSA-N	421.572	5.844	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915351804	GRFBRPTVJSBDBP-QFIPXVFZSA-N	423.438	6.025	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccccc3F)o2)cc1	916955172	MYDGVCFKTSEQMJ-KXBFYZLASA-N	404.441	5.560	30	20	HKED	
N#C[C@@H](C(=O)/C=C/Sc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	917043274	JURTUKJJIZBFGG-VFNNOXKTSA-N	404.438	5.797	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2F)o1	917660236	SVYQONDSRCIBMP-UHFFFAOYSA-N	412.420	5.789	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)C(C)C	920003195	VSOZFDOSHOPVBC-UHFFFAOYSA-N	410.315	5.096	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCC	920106755	ZVBJXZAYDGLHQG-LJQANCHMSA-N	418.493	5.259	30	20	HKED	
COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1F	920805149	AGMCUIUECPRWLI-ZDUSSCGKSA-N	416.424	5.045	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1	1819555796	CAJWQPQMBJCSEF-SJFMBGHLSA-N	412.578	5.141	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828344144	NAGOESZHPHEQNZ-BJKOFHAPSA-N	412.618	5.121	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1	4244424	DLCWRZXWDDGYNZ-UHFFFAOYSA-N	400.482	5.296	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)c1	6367162	MFHBIPFBEWEVQY-UHFFFAOYSA-O	417.598	5.939	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	17291348	BSSUHDYGIRZCRB-CQSZACIVSA-N	424.595	5.130	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(N(C)C)cc2)cc1	22731028	ZHLKFJKHWCWQIB-UHFFFAOYSA-O	424.615	5.023	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1	26143588	UINXIAFWYJLTTN-OAHLLOKOSA-N	421.488	5.198	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1	26769909	FWSDUEGEGLQGNY-UHFFFAOYSA-N	421.522	5.906	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1	58451755	LUSHCIFHHOJYDS-UHFFFAOYSA-N	418.324	5.043	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2s1	65839666	BLFAQGDEOFBKCE-UHFFFAOYSA-N	414.556	5.115	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	109910434	PXJPIZCSVZKMAY-GXTWGEPZSA-N	422.260	5.472	30	20	HKED	
Cc1cccc(-c2nn(CN3CCC(C#N)CC3)c(=S)n2[C@H]2CCCC[C@@H]2C)c1	140820725	GVCOQJHXPXATQF-RXVVDRJESA-N	409.603	5.334	30	20	HKED	
N#CCCCOc1cccc(NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1	237759986	AJUISYCOIFGMEB-NRFANRHFSA-N	400.906	5.192	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cccc(O)c1	429738345	VVZKBJCUCSRHEU-QGZVFWFLSA-N	401.466	5.034	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccnc(Oc2ccccc2F)c1)c1ccccc1	431899688	RJMINBYRISNADV-OAQYLSRUSA-N	418.472	5.247	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	433988943	BXUIPPOZVDSJND-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3ccccc3)cs2)nnc1-c1ccncc1	435699353	XGQRJHFMVNTCPS-UHFFFAOYSA-N	405.552	5.332	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1	438364298	JOSZXRFGHCEYSH-UHFFFAOYSA-N	417.431	5.175	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccccc1Cl	439671404	IXCYJFYBONBYBP-CQSZACIVSA-N	409.848	5.582	30	20	HKED	
Cn1c([C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccccc2)nc2ccccc21	440081187	PJPMUKSRACJHGF-URXFXBBRSA-N	423.520	5.007	30	20	HKED	
CCOc1cc(Cl)ccc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	443936991	GPQAWCGYLOXRLT-CQSZACIVSA-N	403.935	5.455	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ncc(-c3ccccc3)cn2)cc1	461974824	WTICXBPXKBSLGH-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
N#C[C@H](C(=O)c1cccc2cnccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	466988455	MSKHFQIPKNWTDM-QGZVFWFLSA-N	424.312	6.155	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1	467930958	UQXZXNDLHNTJEF-UHFFFAOYSA-N	415.493	5.188	30	20	HKED	
CO[C@H]1CCOc2c(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cccc21	468675167	WWBOXMCRCHUXRA-NRFANRHFSA-N	416.502	5.432	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ncc(-c2ccccc2)o1	468798770	CAWUXMULXOYLSM-KRWDZBQOSA-N	400.482	5.098	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccccc2)s1	468870015	FTBWWSMYUFUTMZ-GOSISDBHSA-N	415.562	6.171	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2o1	470831551	MFPHZLPXPGRUGW-IBGZPJMESA-N	401.853	5.697	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1	474444324	HJGPSZRKVYIXIT-OAHLLOKOSA-N	407.333	5.306	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](OC(C)C)c1ccccc1OC	475567630	LELUQBXIDVQJRH-HSZRJFAPSA-N	410.558	5.835	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccccc1	477101977	PQLJRMNIIGPUBH-QUCCMNQESA-N	402.523	5.032	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1Cl	477317768	FVTCWLFWKOVWPO-LJQANCHMSA-N	423.831	5.224	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)c2cccc(Br)c2)nnc1-c1ccncc1	481367046	BVECLOSQPRHZTK-AWEZNQCLSA-N	415.360	5.532	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c(F)c1	481379435	ZLEMDUVFIMVKAJ-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1	483066084	FKWZWTQNNHRRNB-UHFFFAOYSA-N	418.472	5.436	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nccc2ccccc12	483216749	VNLTTXJPQHJPJF-QGZVFWFLSA-N	423.419	5.867	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c12	483217821	NTNKXEVIUUFPAJ-GOSISDBHSA-N	422.444	5.474	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	485302258	MDCNZBMGLMJAQL-UHFFFAOYSA-N	405.542	5.848	30	20	HKED	
CCN(C(=O)c1cc2ccccc2n1CC(F)(F)F)c1ccc(C#N)c(Cl)c1	486324787	OOEPAQRJMNISHZ-UHFFFAOYSA-N	405.807	5.395	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccccc1	487577327	UILRRIFKDGTNPN-NRFANRHFSA-N	405.885	5.692	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)s1	490742907	CRMZQKUKQNRIGI-UHFFFAOYSA-N	423.563	5.457	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCCOc3ccccc3Cl)s2)cc1	496368114	YNCSAELOANKBEM-UHFFFAOYSA-N	411.914	5.057	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	496705340	FAMJUUAFVPUVMU-UHFFFAOYSA-N	417.440	5.007	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	498266132	JWRJMXTXTQNKMR-QFIPXVFZSA-N	409.917	5.052	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1C(C)C	499431686	AWFGWPTUQJCLHU-UHFFFAOYSA-N	416.525	5.365	30	20	HKED	
N#CC1(F)CCN(C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)CC1	499744166	UAOWHBLYZHBCOE-UHFFFAOYSA-N	406.288	5.198	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1CCC[C@@H](C(F)(F)F)C1	500247095	VCWKCADHAWIHII-WDEREUQCSA-N	401.322	5.464	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCc3c(Cl)cccc32)cc1C	501727424	RAZSUPQDVAUHDC-QFIPXVFZSA-N	418.928	5.151	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	502560723	MYTROGYDNDVUEM-UHFFFAOYSA-N	402.454	5.430	30	20	HKED	
N#Cc1cccc(OCCCCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1	504839344	ZCLZHZAMDDHVQV-UHFFFAOYSA-N	412.449	5.197	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	505834569	UGNZXDUPCZJVCA-JOCHJYFZSA-N	410.477	5.038	30	20	HKED	
COc1c(Cl)cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Cl	506253058	JAGFBEBWLFZHHP-UHFFFAOYSA-N	417.248	5.298	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2sccc2C#N)c2cccs2)cc1	511951247	DFMHHGNVJXXWSN-AUUYWEPGSA-N	423.563	5.039	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1CCCN(C2CCC2)C1	512711319	GRLSNSANDGNRRV-AZUAARDMSA-N	418.541	5.125	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](n4ncc5ccccc54)C3)c2)cc1	512833839	OJXNZLWQPMEBHB-OAQYLSRUSA-N	423.476	5.179	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c1	513498971	KMCNGCQDXUXBHX-NRFANRHFSA-N	424.422	5.561	30	20	HKED	
Cc1cc(Br)oc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	515624415	ALZBPZRRFFKBGR-UHFFFAOYSA-N	413.296	5.302	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H]4CCCN4c4ccccc43)cc2)cc1	517652510	ZCDURJWSUYNTMC-OAQYLSRUSA-N	409.489	5.174	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1	518374900	XJFBLBRCTUEADD-UHFFFAOYSA-N	419.550	5.123	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)[C@H](C)Oc3ccccc3C#N)s2)cc1	523495098	LDDGISRAGTVJLN-ROUUACIJSA-N	419.550	5.286	30	20	HKED	
CC(=O)c1csc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	524932448	YQPNVKRMHXORNE-ZDUSSCGKSA-N	421.330	5.871	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2cnc(-c3cccnc3)s2)C(C)(C)C)cc1	527034843	ASDVDLUWRRPSOZ-UHFFFAOYSA-N	407.539	5.211	30	20	HKED	
C=CCn1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnc1-c1ccoc1C	535233267	JZHWKPOQTHIXTR-UHFFFAOYSA-N	410.377	5.111	30	20	HKED	
CCCn1c(-c2csc(N(C(C)=O)c3ccccc3)n2)nc2cc(C#N)ccc21	535357118	HIQPLVXWYUECRY-UHFFFAOYSA-N	401.495	5.126	30	20	HKED	
C=CCC[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(C(F)(F)F)cc1	537129227	KTZWEZGTJCLORF-GOSISDBHSA-N	421.850	5.164	30	20	HKED	
CC(C)(C)OC(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1	539866377	GSUZICGQEWPBPB-SFHVURJKSA-N	404.491	5.255	30	20	HKED	
CC[C@@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1nc(C)cs1	541628270	JXVZIIUSIPONED-HXUWFJFHSA-N	407.539	5.152	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1ccc(-c2cccc(C#N)c2)cc1	542077212	HUGPGPNYLKVWOG-JKSUJKDBSA-N	417.513	5.027	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1c(F)cccc1F)c1ccc(-c2cccc(C#N)c2)cc1	542934014	FBNZAZRRJAOZND-JKSUJKDBSA-N	405.448	5.181	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCCCSCC#N	543495703	RCSOGMIFPDEWQB-GFCCVEGCSA-N	410.406	5.179	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)cc1	548973376	HWTROLGADGFODD-IRXDYDNUSA-N	423.513	5.074	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1)c1cc(F)cc(C#N)c1	552221342	BGVJPQWZFXEXKO-UHFFFAOYSA-N	411.383	5.079	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1OCc1c(C)noc1C	556432444	MJBRWJJYZOEOSE-UHFFFAOYSA-N	416.930	5.414	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c1	556961815	RXWHBAMPKKSADZ-CQSZACIVSA-N	422.712	5.144	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C#N)c1ccc(OCC2CC2)c(F)c1	561861789	QEYTVTIJIVWSPU-CYBMUJFWSA-N	403.295	5.099	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)COc3ccsc3Cl)c2)cc1	563876883	NRIXHELGJLXJDJ-UHFFFAOYSA-N	412.898	5.064	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)c(C)c1	564379253	PRUQKKDHVJITMM-QHCPKHFHSA-N	402.542	5.139	30	20	HKED	
Cc1cccc2sc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c(Cl)c12	592974372	RHMRXKDYHZLKDZ-LLVKDONJSA-N	400.887	6.102	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH]c2ccccc12	603533015	LTVWOYBALVKOPB-UHFFFAOYSA-N	411.480	5.653	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(C)nc3cc(Br)ccc23)c1C#N	609031040	BCBCTJAGDFIYGG-UHFFFAOYSA-N	414.328	5.362	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccccc2)O1	609209109	YIBQRCBXMVBQIA-HOYKHHGWSA-N	413.477	5.344	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	609377632	IWZARJJFSJOGGA-COXVUDFISA-N	404.457	5.699	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1	609385148	UFCSFBDELGTQMO-UZLBHIALSA-N	413.974	5.510	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	609475564	IUJUHWDSXYAMFF-QGZVFWFLSA-N	421.460	5.146	30	20	HKED	
CCOCc1ccccc1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609499118	QXAGYMPUKVMCMC-UHFFFAOYSA-N	400.478	5.011	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1	609730424	ZCLVKAGARMMDFK-UHFFFAOYSA-N	412.489	5.343	30	20	HKED	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610224214	JMBRAXKNAPKMHL-IVZQSRNASA-N	420.944	5.163	30	20	HKED	
Cc1cccc2c(N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c(C#N)cnc12	610276011	WCQOYPUBERPAPG-OAQYLSRUSA-N	416.912	5.021	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1cccc(C#N)c1	610352700	LPYUIAQXZIWHOU-SFHVURJKSA-N	411.505	5.111	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C1	612244546	DGEACKBVQIHNTK-DEOSSOPVSA-N	407.464	5.198	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n[nH]2)o1	613320192	WGNFADTUPNYZML-CQSZACIVSA-N	408.870	5.245	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)CCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346717	OPCKMULZNXYMOG-ZDUSSCGKSA-N	419.358	6.157	30	20	HKED	
C=CCn1c(SCCCOc2cccc3ccccc23)nnc1-c1ccncc1	615940874	XCMOLFFEHLPHQT-UHFFFAOYSA-N	402.523	5.241	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1	619863490	TYKPPQVYIABZNC-CQSZACIVSA-N	406.692	5.509	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3C(=O)c3ccccc3)s2)cc1	636548945	AUDGPBXXTHBABW-UHFFFAOYSA-N	423.497	5.089	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2OCCN2CCCC[C@H]2C)n1	672586272	RACGGZKNKRRYQG-MJGOQNOKSA-N	411.571	5.010	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	682777326	LRTCHOPGGRXKEB-NRFANRHFSA-N	401.554	6.431	30	20	HKED	
CC(C)(c1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F	683392062	TYQRLQNFUDFDKH-RYUDHWBXSA-N	421.303	5.339	30	20	HKED	
Cc1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1Cl	683957943	SXEBGSYCKNEZRA-RKDXNWHRSA-N	405.741	5.427	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1	684671945	DOYXFHIJIIVJMM-OAHLLOKOSA-N	422.271	5.995	30	20	HKED	
CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1sc2nc(C)nc(C)c2c1C	726425649	AFNXVCRAQFQGKQ-UHFFFAOYSA-N	403.433	5.343	30	20	HKED	
C#Cc1cccc(N(C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)C(C)C)c1	728247268	XMBVPAWVYAGVAP-UHFFFAOYSA-N	420.534	5.172	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	731114302	NBIRSWLOJAFDMM-LJQANCHMSA-N	422.598	5.593	30	20	HKED	
COc1cc(C2(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)CCCC2)ccc1C	731136149	OGTZAUBGJVLGBW-KRWDZBQOSA-N	423.463	5.437	30	20	HKED	
CN(CCc1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	731754515	NOHZTPZCEUGAPO-UHFFFAOYSA-N	421.447	5.122	30	20	HKED	
CC(C)C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1cccc(C(F)(F)F)c1	731986290	LINSPDAZYYNKDD-HXUWFJFHSA-N	404.432	5.054	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)OCc1cc2ccccc2nc1O	733384109	QPKRFGGEPHVYRD-UHFFFAOYSA-N	412.470	5.320	30	20	HKED	
Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	734205200	CVDNXKFLOJSRAT-UIOOFZCWSA-N	409.533	5.890	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](c3ccccc3)C[C@H]2C)c1=S	734477173	LWPYXUFWGLLAKB-QUCCMNQESA-N	420.582	5.111	30	20	HKED	
CC(C)(CCC(=O)N(Cc1ccccc1)c1ccccc1C#N)NC(=O)OC(C)(C)C	737492027	BOAKSGCTGWFLSZ-UHFFFAOYSA-N	421.541	5.175	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739590747	OXICYRBAIZVQBB-UHFFFAOYSA-N	422.579	5.161	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C(\C)c2ccccc2C(F)(F)F)c1	741933132	AZJHMFQBXNXJGT-JMPLCFMRSA-N	402.416	5.106	30	20	HKED	
C#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4n3C(C)C)cc2C)cn1	741971444	TYXJOTDHNLYQMP-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1	743125853	YETNFUASKZCEGN-HOTGVXAUSA-N	408.502	5.027	30	20	HKED	
CCC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)C1CCOCC1	745194390	UMCGPLCFBUFHQX-UHFFFAOYSA-N	414.571	5.247	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1	746417517	ZBTYLYLQJVGCOX-HXUWFJFHSA-N	417.534	5.259	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C#N	752199187	WOLTXDVQZQZUME-UHFFFAOYSA-N	411.767	5.051	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)s1	752806411	PPHDOZOILIUEAT-JSGCOSHPSA-N	420.332	5.170	30	20	HKED	
CC1(CNC2CCC(C#N)(c3ccccc3)CC2)CCN(C(=O)OC(C)(C)C)CC1	753586155	CMSKOUGXHNZJQG-UHFFFAOYSA-N	411.590	5.017	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C[C@@H](O)c1ccccc1	758583586	GSRPECSSDSPYGB-HOYKHHGWSA-N	415.493	5.293	30	20	HKED	
Cn1ncc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)F	759863313	CEYUNYBAVDKCIN-IHWYPQMZSA-N	413.268	5.047	30	20	HKED	
CC(C)(CCC(=O)OC(C)(C)C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	763076404	BIUGEPPXFPAPGW-OAQYLSRUSA-N	421.541	5.364	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1	764948635	YNTCNZXPZQIGBL-CVEARBPZSA-N	405.922	5.256	30	20	HKED	
C=CC[C@@H](N[C@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C)c1ccncc1	766018400	HJGCKFAMHJKRQZ-JLTOFOAXSA-N	401.341	5.851	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1	766427949	OBBXOXZEDDWRGJ-RBBKRZOGSA-N	407.558	5.278	30	20	HKED	
COc1cc(C=NOCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc(Cl)c1OC	768512586	RLMITBGLTMHGJJ-UHFFFAOYSA-N	421.280	5.525	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1	773090191	DDPFCBUNQUDKJP-IERDGZPVSA-N	418.459	6.020	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)ccc1OC	774446879	DYBDXRUDTWVGPL-SIKLNZKXSA-N	420.475	5.882	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OC1CCCC1	780671972	XXMCXFKWTQJAJR-SJORKVTESA-N	423.513	5.190	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)c(F)c1	781108668	SNNZWUSGXKZVGP-ALCCZGGFSA-N	413.271	5.479	30	20	HKED	
Cc1cc(C)c(Nc2nn(CN3CCC(CC#N)CC3)c(=S)s2)c(Cl)c1	781571345	FBUJBONULUYSIZ-UHFFFAOYSA-N	407.996	5.271	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCC5(CCCO5)CC4)c23)cc1	788014238	LDHOIBBUQKEAMC-UHFFFAOYSA-N	408.527	5.258	30	20	HKED	
Cn1c(CC(=NOCc2cccc(C(F)F)c2)c2ccccc2)nc2ccccc21	794719619	GZSKVHINWDHKBU-UHFFFAOYSA-N	405.448	5.675	30	20	HKED	
Cc1cc(C(=O)COC(=O)C[C@@H](CC#N)c2ccccc2)c(C)n1Cc1cccs1	795980449	JEQUOHAFLJFIGB-HXUWFJFHSA-N	420.534	5.028	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	802043144	RISJPWNUJMCBKS-VGOFRKELSA-N	412.489	5.130	30	20	HKED	
C#C[C@@H](NC(=O)c1ccccc1SCc1cscn1)c1ccc(Cl)cc1F	804419795	WRCJAZAEQSKCJX-GOSISDBHSA-N	416.930	5.332	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Br)s1)c1cc(C(F)(F)F)ccn1	813216808	ZNCSZZYAODMCRW-LBPRGKRZSA-N	417.250	5.124	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](F)C(F)(F)F	815113239	UGYBAKFOFNPTPB-AWEZNQCLSA-N	422.300	5.105	30	20	HKED	
FC(F)(F)c1cnc(NN=Cc2ccccc2OCc2ccccn2)c(Cl)c1	819840259	IXLPTAIXKSCOBH-UHFFFAOYSA-N	406.795	5.174	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(C4SCCS4)cc3)c2C#N)C1	877882488	MSIXZYBBIISDCS-LBPRGKRZSA-N	400.594	5.475	30	20	HKED	
COC(=O)Nc1ccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	914520596	NGFVUGTUJWCUIR-UHFFFAOYSA-N	417.440	5.031	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)o2)cc1	915085366	AWEBUUOFIXZCRS-DEOSSOPVSA-N	420.468	6.057	30	20	HKED	
CCCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1	916843513	LPTTYAZJPIYMKA-HXUWFJFHSA-N	401.510	5.145	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc(Cl)cc2)cc1	916948025	RCQWUMOTSJSCAJ-QRWLVFNGSA-N	410.901	5.164	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2c1O[C@@H](C)C2	916977039	HMBVMLOOPBJNEN-YVEFUNNKSA-N	424.909	5.286	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OC(C)C)cc2)cs1	917559488	JQQCSVRYZXVRBN-ZROIWOOFSA-N	420.534	5.819	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(Cl)nc(Cl)c2)cc1	918630104	NHZDJHIZONJBLG-UHFFFAOYSA-N	414.267	5.242	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3Cl)cc2)CCC1	1790668016	RBNUIXPRJXDECC-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1	1791731832	LEHQYFUOPFNORK-DEOSSOPVSA-N	414.496	5.060	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(O)c2)c1	10172529	JUEKVSCAOJYFHZ-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C)cc2)cc1	10173293	GOILVZXAFKVNLR-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccccc1C#N	10244815	AANGPLWUKLWECK-QGZVFWFLSA-N	424.529	5.735	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nc2sccc2c1=O	18779831	QGRMRWNCKPWDOV-UHFFFAOYSA-N	415.927	5.245	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2c1	21145719	BWRIFHMWQCMBFT-UHFFFAOYSA-N	424.529	5.670	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(O)c2)cc1	22728155	OINVJMNAIVBTST-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1cc2ccccc2o1)[n+]1ccc(C(CC)CC)cc1	27311662	CNBLAYZDIMNJLN-UHFFFAOYSA-O	421.586	5.728	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	78720040	JWHKIJUYPHKDLW-HNNXBMFYSA-N	407.564	5.689	30	20	HKED	
N#CCCCOc1cccc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1	237703184	CVYKYCFPPURSQA-UHFFFAOYSA-N	400.404	5.186	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc2)cc1	430578307	ASHYOVWQXHYSOA-FQEVSTJZSA-N	418.518	5.926	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccccc1	431306914	HDSVRLZKUNQLHP-XUVXKRRUSA-N	412.331	5.039	30	20	HKED	
CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1F	434242434	LZUNEBFJVCWHPW-UHFFFAOYSA-N	421.859	5.156	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1	436365040	QTZJWTLPGGOJSF-ZWKOTPCHSA-N	409.283	5.107	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1Cl	437726818	LCWVVXBLULVXOL-CRAIPNDOSA-N	407.823	5.662	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1	439481814	NFRGQFCNUTYVAV-IBGZPJMESA-N	413.403	5.058	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccco3)C2)cc1Cl	441214021	WWWZCQLTXWRCAD-SIKLNZKXSA-N	421.884	5.194	30	20	HKED	
C[C@@H](Nc1cccc(CCC(F)(F)F)c1)C(=O)N(CCC#N)c1ccc(F)cc1	441758941	AKZWBLUFBSHEGU-OAHLLOKOSA-N	407.411	5.068	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NCc1ccc(OCC(F)(F)F)c(F)c1	444009777	OFAZYSFZVACZJJ-INIZCTEOSA-N	409.345	5.859	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c2ccccc21	444080883	BRHBYLWYOMRUAU-DEOSSOPVSA-N	423.520	5.320	30	20	HKED	
Cc1c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cnn1C1CCCC1	444472767	AAYPUGJWEXKQIM-UHFFFAOYSA-N	400.482	5.010	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1	446852983	RZLKKWZSBBAMBP-ZWKOTPCHSA-N	408.571	5.421	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c2c(C)noc2n1	460343732	RBEBJLSCKNEFMX-UHFFFAOYSA-N	416.868	5.212	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)c2)cc1	462244535	HCHLSIKTWFGYOG-ZJSXRUAMSA-N	413.477	5.392	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1C	464470590	VYEHFIPVYLZMOA-HXUWFJFHSA-N	422.406	5.438	30	20	HKED	
COc1ccc(C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1	465313457	BZSGQUSFKWZXJB-UHFFFAOYSA-N	412.489	5.379	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	467068601	LMSPLDVQAUHPPF-FQEVSTJZSA-N	415.905	6.016	30	20	HKED	
C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1	475092775	IJHWACNXWIEIHY-BKDPQDBISA-N	401.963	5.140	30	20	HKED	
CCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1ccc(F)cc1)c1cccnc1	475756235	OUWHZQPKSMJZLD-BKMJKUGQSA-N	415.512	5.636	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccccc1	476771054	AGDVITOLBPRCFV-ZDUSSCGKSA-N	400.866	5.024	30	20	HKED	
N#Cc1cc(Cl)ccc1CNc1cccc(Oc2ncc(Br)cn2)c1	478337722	MFGLZHJDRNTCTE-UHFFFAOYSA-N	415.678	5.169	30	20	HKED	
C[C@H](NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1	480251444	LCXSPMQIHQKLGF-MGPUTAFESA-N	401.432	5.575	30	20	HKED	
C=C(C)[C@H](NCc1ccc(OC)c(OC)c1Br)c1ccc(F)c(F)c1	481603620	JKVULWNRUCKXBJ-SFHVURJKSA-N	412.274	5.152	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)ccc1OCc1ccccc1	481708592	BHSRGCCVQXKXEA-MRXNPFEDSA-N	419.456	5.168	30	20	HKED	
O=C(NC1CCC(F)(F)CC1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482341634	FGQFDYFHSCVXMB-GFCCVEGCSA-N	404.301	5.186	30	20	HKED	
C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	483022754	PTPIVTGAHCYSEG-MGPUTAFESA-N	415.459	6.122	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483233306	IWVGDALVFZOZOO-SFHVURJKSA-N	409.283	5.275	30	20	HKED	
CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	483621540	JTDJNHYQGIQPCB-YADHBBJMSA-N	409.555	5.241	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](c1ccccc1)C(F)(F)F	485470648	ONYRALSTLRIKIK-FQEVSTJZSA-N	414.383	5.106	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1	486437421	VRZCMONUVVBFJE-UHFFFAOYSA-N	420.509	5.286	30	20	HKED	
C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCC1=O	487238034	VLJFUKRMMQLHRW-KBPBESRZSA-N	416.399	5.313	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(F)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2	487986081	SSTNACQQRHPGPU-ZIAGYGMSSA-N	407.514	5.079	30	20	HKED	
N#Cc1c(F)cccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	489720687	UMHIQYINEOUONA-UHFFFAOYSA-N	418.815	5.339	30	20	HKED	
CC(C)(c1ccc(C(=O)Nc2cc(F)c(OC(F)F)cc2F)cc1)C(F)(F)F	490288026	QKNGKDAQPNJIJV-UHFFFAOYSA-N	409.301	5.658	30	20	HKED	
Cc1c(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)sc2ccc(C#N)cc12	490546343	QCYWSZXMPONPRE-UHFFFAOYSA-N	410.502	5.249	30	20	HKED	
C[C@H]1CC[C@H](C)N1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496344887	LGRGZSBGVHVPHO-RYUDHWBXSA-N	408.449	5.029	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12	498485070	CTYPGISJXHXPKL-UHFFFAOYSA-N	411.480	5.437	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(C(F)(F)F)cc1C	502355508	UVJPOYDWEIRRKU-UHFFFAOYSA-N	408.468	5.079	30	20	HKED	
Cc1cc(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)nn1CCC#N	504133437	ZVLQPZUFVQGFFF-UHFFFAOYSA-N	422.554	5.670	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([C@@H]4CCCOC4)cc3)n2)cc1	505716871	NBIJBNBJUPTRKZ-NHCUHLMSSA-N	413.502	5.066	30	20	HKED	
COC(=O)c1ccc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F	505901888	XIQMOUGNQIRHAI-HNNXBMFYSA-N	409.301	5.024	30	20	HKED	
N#CC1(c2ccccc2)CCC(N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1	507614111	BSMYVUHQDWVNFW-KWKWTDQQSA-N	401.941	5.818	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(C)s2)C(C)C)cc1	509250428	ZTNHFQAMDIPUQO-UHFFFAOYSA-N	411.571	5.313	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccnc2)cc1Cl	510009818	LYZKIIKTUBCHHO-FYYLOGMGSA-N	416.912	5.759	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C)cc3OC(F)F)n2)cc1	512943663	RSWCZJCBZXHWQD-CYBMUJFWSA-N	404.463	5.580	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(-c2ccncc2)cs1	512964832	VVUYVTGJJGOPSK-AWEZNQCLSA-N	406.854	5.004	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(OCc3cccnc3)c2)sc2c1CCCCCC2	515675443	DUISOBLDUGSJPE-UHFFFAOYSA-N	417.534	5.505	30	20	HKED	
N#C[C@@H](C(=O)c1cccn1Cc1cccs1)c1nc(-c2ccc(Cl)cc2)cs1	516074202	MCEMATSKOCTBGJ-KRWDZBQOSA-N	423.950	5.865	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)OCCCO2	517461924	TZEXGTFFIFBTTA-UHFFFAOYSA-N	422.428	5.125	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)c2)cc1	517844265	NXRWTSRCOCIFDY-UHFFFAOYSA-N	423.472	5.967	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518372599	FYYWTDGQAWBYLC-UHFFFAOYSA-N	407.857	5.440	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2c(F)cccc2F)cc1	518697283	OQTXRDSXKSLEBU-MRXNPFEDSA-N	413.468	5.004	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-]	518740255	RIIWYPFAVPXCDH-CHWSQXEVSA-N	419.890	5.048	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)cc2)c1	518753465	OODQHPGJTWALDK-XMMPIXPASA-N	412.493	5.895	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc(-c3ccccc3)nc21	519250312	CLHCBOCZPVFWMD-SFHVURJKSA-N	420.476	5.046	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F	519895485	HSXYWNGJPXOSCV-UHFFFAOYSA-N	407.411	5.084	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C	519902870	VRKJHABLHGZMLV-UHFFFAOYSA-N	420.435	5.080	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1	521016181	OLAHEJZFAVXGCZ-KXBFYZLASA-N	404.432	5.286	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2cc(Br)cs2)cc1	521293194	ILHZVOYRFSIESD-QGZVFWFLSA-N	405.361	5.122	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)c(C)c2)n1	521307155	ZENZXTABYTTXJN-OAHLLOKOSA-N	408.552	5.666	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1	521607892	WIEXWVSEBZTZJI-JOCHJYFZSA-N	406.482	5.568	30	20	HKED	
N#CC1(C(=O)NC[C@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CCC1	522875997	MEJIBQXPRJYIEQ-HSZRJFAPSA-N	419.528	5.777	30	20	HKED	
CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1cccnc1	523768337	NZXLJFIBCVBUPY-VGOFRKELSA-N	418.928	6.005	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n(C(C)C)c1C	524141641	RSQPWGJVZRYPEY-UHFFFAOYSA-N	401.510	5.697	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1	524707196	BZOOOUWTCROJAG-FQEVSTJZSA-N	415.880	5.738	30	20	HKED	
COc1cc(Br)c(CNc2ccccc2SC[C@@H](C)C#N)cc1OC	531390046	MKPXNYNGOAWQHK-ZDUSSCGKSA-N	421.360	5.330	30	20	HKED	
CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(C#N)cc1	532491333	ZMKLOKNJXCNCMG-UHFFFAOYSA-N	409.839	5.080	30	20	HKED	
COc1ccc(CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1C#N	533005568	UYOAIVYDYPMEIZ-UHFFFAOYSA-N	415.371	5.043	30	20	HKED	
Cc1ccc(Br)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	534163270	GMPMMOGFIPOAEP-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1Cl	535621249	QZOVYEPJQTUKBK-NFBKMPQASA-N	416.908	5.752	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1nc2c(s1)CCCC2	536360933	QXOFWPCOVXJDQM-UHFFFAOYSA-N	419.575	5.017	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1F	538227469	WTJZVZDMGATFQT-IVZQSRNASA-N	417.525	5.142	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)nc2ccccc21	538572679	GPXFHNRGFNBGPQ-HXUWFJFHSA-N	412.537	5.192	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)c1ccc(C#N)c(Cl)c1	539173728	RNGCIMXTWMHQDY-UHFFFAOYSA-N	401.869	5.002	30	20	HKED	
COc1ccc(CNc2cc(C)n(-c3ccccc3Cl)n2)cc1OCCCC#N	540734230	IODRIMTUFIZUBT-UHFFFAOYSA-N	410.905	5.137	30	20	HKED	
CN(C(=O)CSCC(F)(F)F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	541253345	STUGIPLJQBKQRF-LLVKDONJSA-N	413.305	5.063	30	20	HKED	
CO[C@H](c1ccc(F)cc1)c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1	545802483	DSWYPJMHHNWDTQ-JOCHJYFZSA-N	415.424	5.062	30	20	HKED	
CCc1sc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Br	550453737	GNEYZKQXZOTNEE-LLVKDONJSA-N	409.374	5.577	30	20	HKED	
Cc1cc(C#N)nc(N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)n1	553445591	VHCUPBLFQLNAIQ-LBPRGKRZSA-N	414.332	5.024	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	558510576	ANRJPDBVNONBSR-QFIPXVFZSA-N	401.470	5.146	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc(-c4ccccc4Cl)on3)cc2)ccn1	558558841	BAEUKPPYZICCOM-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1Br)c1ccc(Br)cc1F	562895653	PGTQYXJRIUOAMR-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N(C)Cc2ccc(C#N)cc2)cs1	564688483	BTPBOCNUJBOLQE-UHFFFAOYSA-N	407.514	5.066	30	20	HKED	
COc1cccc([C@@H](N[C@@H]2CCc3ccc(C#N)cc32)c2cc(F)ccc2OC)c1	567524621	YHLNNRCRZSWOKB-ILBGXUMGSA-N	402.469	5.081	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1	571749199	SOKWKWFCFDQYFY-UHFFFAOYSA-N	421.497	5.186	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)c(F)cc3Cl)cn2)cc1	590156532	UQKLYOBMSUAABY-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(F)c(F)cc1F	591518122	DOXNDZPPVKFGNS-UHFFFAOYSA-N	417.200	5.226	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCSc4c(F)cccc43)s2)cc1	603648788	PQZVZZFHDLCYKU-GOSISDBHSA-N	424.526	5.103	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)c1	603995969	VKQBLUNZSDDMJY-UHFFFAOYSA-N	413.452	5.010	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)c1	604473773	BXZWKTHQTDCEGN-IZZNHLLZSA-N	416.496	5.286	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1cccnc1	607759215	SZEAHAMFMYYLII-NRFANRHFSA-N	402.498	5.547	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3cccc(Br)c3)cc2)c1	609064535	CKBVTWCULRUYTP-UHFFFAOYSA-N	421.294	5.081	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609078956	FDQIGFTUVGCRRF-UHFFFAOYSA-N	411.505	5.666	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3)nc2)cc1Cl	609164182	IFKGRVOQAAUOKF-NRFANRHFSA-N	416.912	5.243	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(OC(F)F)c3)c2)cc1	609209720	JGQDTUWVNHGYQP-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccoc2)n1	609371175	LTQACDVTKZMPHJ-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(Cl)cc1	609376992	MPRDPFUDXKBCLZ-AWEZNQCLSA-N	410.930	5.338	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2cccs2)c1	609377889	QRIRKIYVVGSDRA-INIZCTEOSA-N	408.548	5.831	30	20	HKED	
CC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	609727295	HZHXRTHNMVGQGN-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1	609735403	JTOXRWBXOODWFK-SPLOXXLWSA-N	413.861	5.243	30	20	HKED	
Cc1sc2nc(CN3CCCC3)nc(S[C@@H](C)c3ccc(C#N)cc3)c2c1C	609825638	JPTZBLODTYXYLV-INIZCTEOSA-N	408.596	5.629	30	20	HKED	
Cc1c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cccc1C(=O)N1CCCC1	609987780	BOEHHUYRMMZBCT-UHFFFAOYSA-N	424.504	5.099	30	20	HKED	
O=C(Nc1cc(F)cc(Cl)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675696354	ZSRFZYVBUOMYOP-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cnc2c(c1)COCC2)c1ccc(C(F)(F)F)cc1	679156322	XCLCUGIVTYVKQM-IBGZPJMESA-N	405.420	5.002	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1oc2ccccc2c1CSC	726755362	JHZFBZHWTPNFBH-UHFFFAOYSA-N	401.491	5.045	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2s1	730686364	OICVHWYFIKMDSG-ZHRRBRCNSA-N	420.440	5.571	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)CC2CCC(c3ccccc3)CC2)cc1Cl	731136066	MKNMUNNRENVQDW-OUNSHVDWSA-N	424.928	5.360	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C\c1cc(Br)ccc1F	731335852	TUWGJGVUIGUQGI-XURPKSDJSA-N	419.319	5.634	30	20	HKED	
COc1ccc2ccccc2c1C=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	733080675	WEOFWKGETOGSLV-UHFFFAOYSA-N	423.398	5.165	30	20	HKED	
CCc1ccc([C@@H](NC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)C(C)C)cc1	733639134	BPTOFCMPULRYNP-URXFXBBRSA-N	423.557	5.135	30	20	HKED	
COc1cccc(Nc2nnc(SCc3cc(Cl)ccc3OCC#N)s2)c1	735231379	UOZXCYOBMRLWNV-UHFFFAOYSA-N	418.931	5.138	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](c3ccccc3)C3CCOCC3)c2)cc1	737854725	LFNMYNKQNBLNQL-VWLOTQADSA-N	411.505	5.200	30	20	HKED	
C#CCOc1ccc(NC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1	740453175	AOFYFTMQWFASND-SFHVURJKSA-N	419.550	5.664	30	20	HKED	
O=C(/C=C\c1cnc2ccc(Br)cn12)c1cc(Cl)sc1Cl	740765422	ZDZAWIBOLUFAHY-IHWYPQMZSA-N	402.100	5.361	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N2CCCSC2=Nc2ccccc2)cc1F	741883928	WEVPMHKPXNTPII-UHFFFAOYSA-N	413.518	5.077	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	744061520	LSYVXPIQNLIRKC-ZRRCRCOKSA-N	412.555	5.369	30	20	HKED	
N#CCn1c(CN(Cc2cccc3ccccc23)C2CCCC2)nc2ccccc2c1=O	744397001	VTESKGLCHOTAFN-UHFFFAOYSA-N	422.532	5.018	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)sc2C)cs1)c1ccc(F)cc1F	745999706	JDJPZPLKEBKAIE-FNORWQNLSA-N	418.490	5.680	30	20	HKED	
CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1c(C)nn(C(C)C)c1C	746490404	WBNLKYUNIIXSHH-UHFFFAOYSA-N	413.529	5.165	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNc1oc(C(C)(C)C)nc1C#N	746497210	CSSFNOMWVCDAOW-UHFFFAOYSA-N	417.300	5.091	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1	747108158	DDJNYZGESUHWGI-INIZCTEOSA-N	414.292	5.063	30	20	HKED	
CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	747540053	YDOXQBIQJXGOKB-HXUWFJFHSA-N	416.550	5.341	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cc(C#N)cs1	752283663	BMGVOZBIPBNAQM-UHFFFAOYSA-N	402.884	5.041	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc2ccccc2c1	753392485	BZSRGHKJFQJPEJ-DNVCBOLYSA-N	420.896	5.261	30	20	HKED	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NOc1ccccc1C(F)(F)F	754711818	BZORGBNNSYTDKH-UHFFFAOYSA-N	414.431	5.213	30	20	HKED	
C(=NNc1ncnc2sc(-c3ccccc3)cc12)c1cnc([C@H]2CCCO2)s1	755522117	VJTVPRARLZNPRU-MRXNPFEDSA-N	407.524	5.112	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c1	755802400	WETUDNZPUCFYPL-NRFANRHFSA-N	408.523	5.081	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1Br	756927118	NXSMEGPWWIATMV-HXUWFJFHSA-N	405.295	5.665	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1Br	758308652	PXFSLHVEMYDQJS-LLVKDONJSA-N	420.288	5.004	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CCSC)c2nnc3ccccn23)cc1	764722735	YPOBIAOAXUSKLC-APWZRJJASA-N	416.978	5.006	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCC2CCN(C(=O)c3ccccc3)CC2)cc1	766097338	YRMRVWOENKCSNP-IBGZPJMESA-N	412.961	5.021	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)C1CCN(C(=O)OC(C)(C)C)CC1	766237203	LOENIOYGNXMYSB-PXNSSMCTSA-N	421.541	5.084	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1	768391867	ODMLEEWZTNHXHZ-NRFANRHFSA-N	406.486	5.332	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc2[nH]ccc2c1)C(=O)Nc1ccccc1Oc1ccccc1	776078305	XRLUDWDGYYESQU-OAQYLSRUSA-N	423.472	5.240	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)c1OC	776346465	HYKKRILZVXKJRX-IBGZPJMESA-N	404.466	5.082	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)sc21	780179337	XQKRNTRZIJGWNA-HNNXBMFYSA-N	416.506	5.247	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(COCc2ccccc2)cc1	780582461	MURZBDSIQSHYIR-SFHVURJKSA-N	401.466	5.338	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(SC(F)(F)F)cc1	784105403	CJJHGGYXEQMTNP-CYBMUJFWSA-N	424.444	5.125	30	20	HKED	
C#CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)s1)c1ccccc1	784399309	YQTVDPQQKYYFTE-JKSUJKDBSA-N	403.345	5.122	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)c1ccccc1	787042570	XEPDGGLRBUQVAL-KISGQOJYSA-N	414.427	5.085	30	20	HKED	
Cc1ccc(C)c(-n2cnc3cc(C(=O)Nc4ccccc4O[C@H](C)C#N)ccc32)c1	788459749	CCGRWRITSSWKEM-GOSISDBHSA-N	410.477	5.186	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1	789355451	FFGASRPDUICBAW-HXUWFJFHSA-N	418.484	5.141	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCOc3c(Cl)cc(C)cc3C2=O)cn1	792888392	YOVMFIBCMFCEFW-LFIBNONCSA-N	406.869	5.163	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1	792897388	HHHDURJOZBTTBD-UHFFFAOYSA-N	413.525	5.115	30	20	HKED	
N#C[C@H](C(=O)CSc1cc(Cl)ccc1F)c1nc(-c2ccccc2)cs1	795244098	XOSDYDXCOAIHBO-CQSZACIVSA-N	402.903	5.571	30	20	HKED	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	795250055	GFAGUQUPIWDTBM-OPAMFIHVSA-N	418.880	5.214	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1	801755008	NPZWOIQQCCPBQK-DEOSSOPVSA-N	415.578	5.307	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	808843568	QJXZNQLPUZUXFU-DLBZAZTESA-N	402.454	5.047	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(Br)nc1)c1ccc(-c2cccc(C#N)c2)cc1	810234447	COXNBIHVYBYNDP-JKSUJKDBSA-N	406.327	5.795	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](N[C@@H](CCCC#N)c2ccccc2)c2ccccc21	815635741	ITRMDVKKUNDAEV-RJGXRXQPSA-N	405.542	5.722	30	20	HKED	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@H](C#N)c5nc6ccccc6n5C)(C4)C2)C3)cc1	916627320	MRVFWCGCKFQCNS-TXWKTGDKSA-N	423.560	5.596	30	20	HKED	
N#C[C@@H](C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)c1nc2ccccc2o1	917509872	GNFHESKTCVFTQF-ACSPXDACSA-N	416.839	6.037	30	20	HKED	
N#C[C@@H](C(=O)Cn1ccc2ccc(Cl)cc21)c1nc2cc(Cl)ccc2s1	920113185	RVLNILNDRPAGRR-AWEZNQCLSA-N	400.290	5.434	30	20	HKED	
Cc1[nH]c2ccccc2c1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920807072	XHISFGVNPDVJAZ-HNNXBMFYSA-N	407.445	5.297	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3coc(Cl)n3)CCC2)cc1	1785841045	YWSZBACWXGOOJH-UHFFFAOYSA-N	415.921	5.068	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1	1786245827	FRMSSODTWGOPGR-UHFFFAOYSA-N	416.512	5.140	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1821923989	UNCCSRMGAIZKGE-DYESRHJHSA-N	408.546	5.051	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1cccnc1	8471852	KEOFEDHNLBUHKR-IAGOWNOFSA-N	421.570	5.159	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C)c2C)c1	10167982	UWCAFVSJFPQEFK-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
N#Cc1cccc(C(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1	20863380	CWJBHTPPGQLQIJ-FQEVSTJZSA-N	424.378	5.114	30	20	HKED	
C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)Nc1ccccc1C#N	20993506	UKKKPTZZWRXAOZ-CQSZACIVSA-N	416.531	5.349	30	20	HKED	
CCCCc1nnc(/N=C(\O)c2sc(COc3ccc(F)cc3)nc2C)s1	23364681	CMHVHMNFBOGVRG-UHFFFAOYSA-N	406.508	5.000	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1	31401139	OFQQEGXKLWDIOF-QGZVFWFLSA-N	409.489	5.065	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc2)cs1	41541588	JDLOMWPMTIARRC-KRWDZBQOSA-N	405.504	5.375	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2ccccc2o1	54734978	HLRKEZRPLMOOTC-HXUWFJFHSA-N	408.413	5.643	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC	96909822	CNYYVFRUIRFAAP-FNORWQNLSA-N	400.780	5.281	30	20	HKED	
CCCCCCCCCCCCCCCCCCc1cc(S(=O)(=O)O)ccc1C	100307938	XOMLNUXJIAKVNE-UHFFFAOYSA-N	424.691	8.046	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	195662414	RIWBSZUXDVGQDA-INIZCTEOSA-N	420.494	5.266	30	20	HKED	
C=CCn1c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1ccccc1F	219004379	YZYWDRCYQQBVBO-FQEVSTJZSA-N	424.545	5.050	30	20	HKED	
N#Cc1ccc(Sc2ncc(-c3ccc(Cl)cc3)n2Cc2ccccc2)nn1	301938815	SSOLEOHCWLALBY-UHFFFAOYSA-N	403.898	5.065	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1F	303267671	BUGDTQVJKMYBAE-UHFFFAOYSA-N	405.429	5.210	30	20	HKED	
N#C[C@H](NC(=O)CSc1nc2ccccc2s1)c1cccc(Cl)c1Cl	303302002	CXPUIRRCHONISQ-ZDUSSCGKSA-N	408.335	5.076	30	20	HKED	
CC1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)CC1	410341207	USOKGRQFWKTFJT-UHFFFAOYSA-N	404.558	5.041	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc1	429473455	KVBYHLGDLBIPDO-UHFFFAOYSA-N	405.420	5.086	30	20	HKED	
CCCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1ccccc1C	429688241	BYGGAUPUSYSKOG-FQEVSTJZSA-N	401.514	5.300	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	429878705	UDHMRDLMUKTQHZ-GFCCVEGCSA-N	411.792	5.094	30	20	HKED	
Cc1cc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(Br)c1	431954731	ZLORAFAGXOKYHN-UHFFFAOYSA-N	414.347	5.628	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCC2CCCC2)CC1	435133969	UQHYHNGAFYOAMV-KRWDZBQOSA-N	401.576	5.141	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(OC2CCCC2)c(F)c1	438047507	CUSNJKYKEQSRTC-HNNXBMFYSA-N	413.518	6.185	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC(c3ccccc3Br)CC2)c1	439014606	IGOVGZPSCTUXNO-UHFFFAOYSA-N	415.356	5.085	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN(Cc1cccs1)c1ccc(F)cc1	440066020	WPKLCUHJHFOYBV-UHFFFAOYSA-N	411.527	5.148	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1nc(-c2ccoc2)no1)c1ccc(C(F)(F)F)cc1	441571438	MCLNBSZOHNIXMH-KRWDZBQOSA-N	419.403	5.105	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2c1	443576308	JYBPSKAFTNUUFS-RDGATRHJSA-N	411.505	5.033	30	20	HKED	
Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NCc3ccc(C#N)c(C)c3)cc2Cl)n1	443995332	QOXVQOONWCBCDV-KRWDZBQOSA-N	421.932	5.145	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)[C@@H](C)c2cccc(C#N)c2)nc1-c1ccccc1	462132873	SFVYKWQOMLVJSW-AVRDEDQJSA-N	413.521	5.804	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)c1nc(Cc2nc(-c3c(F)cccc3F)cs2)no1	463061894	SPLIEZNQMBDPLW-LBPRGKRZSA-N	408.433	5.086	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC(c3ccccc3F)C2)cc1	463488192	BLGOCGICKVOZEV-UHFFFAOYSA-N	415.468	5.102	30	20	HKED	
CN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F	463560383	SPVAEVIWUREXMN-KGLIPLIRSA-N	423.357	5.084	30	20	HKED	
Cc1ccc2c(CCC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c[nH]c2c1	465064076	FTXUMBKQIVOSBE-UHFFFAOYSA-N	422.488	5.172	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1	466193932	KQQLTUVAECXDBW-UHFFFAOYSA-N	416.481	5.220	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)c(C(F)(F)F)c1	467867257	WRNUIMQIRFLPMY-UHFFFAOYSA-N	422.300	5.382	30	20	HKED	
C=CCOc1ccc(CN(C(=O)Cc2csc(-c3ccccn3)n2)C(C)(C)C)cc1	467871589	NPIKRKQLVBOKMN-UHFFFAOYSA-N	421.566	5.140	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c2ccccc21	469215992	YFHOXFKBJQKFFC-IBGZPJMESA-N	417.509	5.145	30	20	HKED	
CC1(C)[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@@H]1OCc1ccccc1	469293087	VOEDSWAUSPLPCK-ZEQRLZLVSA-N	417.553	5.065	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ncc(-c2cccs2)[nH]1	470705532	YWKFIDUBOFAHAT-UHFFFAOYSA-N	416.531	5.091	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1	475551179	JXVJEKHTZLNDLU-UHFFFAOYSA-N	411.493	6.071	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(c2ccccc2OC)CC1	475588665	YUBPQAZZVBVWLA-UHFFFAOYSA-N	407.558	5.338	30	20	HKED	
CN(Cc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)c1cccs1	476101212	GTSJGYOSDDBFOF-UHFFFAOYSA-N	417.534	5.074	30	20	HKED	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccccc1Sc1ccccc1C#N	476779198	NDIOUKQWYIRPJM-INIZCTEOSA-N	418.493	5.240	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)Cc1cc(Br)cs1)c1ccc(F)c(F)c1	477732120	QVJUQMCRABSGOK-INIZCTEOSA-N	415.303	5.248	30	20	HKED	
C=C(C)[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(F)c(F)c1	478906681	BFKFYOPXLXRONB-GCJKJVERSA-N	413.512	5.205	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	479623542	VQRMYHFFODFDCD-UHFFFAOYSA-N	416.884	5.183	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1	481685984	AEKZSMHTCASFMN-KRWDZBQOSA-N	417.412	5.027	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C	483851380	CHCOKWBBTJBALH-INIZCTEOSA-N	403.486	5.779	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)c1c(F)cccc1F	484965969	BGUNLQOJHSBMMW-MRXNPFEDSA-N	406.432	5.466	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc2ncsc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	485827344	FUELAFITEUJWOR-KBPBESRZSA-N	424.595	5.176	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1	486419902	ZXGCWWLMSCGMHM-MBSDFSHPSA-N	411.567	5.020	30	20	HKED	
O=[S@](Cc1cccc(OC(F)F)c1)Cc1cc(F)c(C(F)(F)F)cc1F	487474304	NWERAQFNFXXQDM-AREMUKBSSA-N	400.315	5.034	30	20	HKED	
CN(Cc1ccccc1)c1ccccc1NCc1cn(C)nc1-c1ccc(C#N)cc1	490327798	PDPRPVOYYSUOIX-UHFFFAOYSA-N	407.521	5.207	30	20	HKED	
C=CCC[C@H](NCc1cnnn1Cc1ccccc1)c1ccc(C(F)(F)F)cc1	491226383	XDWRELVINKVBOM-NRFANRHFSA-N	400.448	5.142	30	20	HKED	
C=CCN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc(-c2ccccc2)cs1	499129918	XIAOCYAZHNVVKF-NRFANRHFSA-N	404.535	5.537	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1nc2c(s1)CCCC2	499312853	CTZCKYKYXOOKNM-HZPDHXFCSA-N	417.372	5.107	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	500036459	IZJMDRJDMMGBRK-MAAHGYRXSA-N	403.507	5.064	30	20	HKED	
CCCOCc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	502090617	IKMAFQQSCCOHNE-UHFFFAOYSA-N	416.546	5.566	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1NC(=O)c1ccccc1F	505694671	OSUSOGCATXSPHA-OAQYLSRUSA-N	421.859	5.035	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1F	505809412	OTZARJXOKJBZMR-OAQYLSRUSA-N	421.859	5.035	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccccc1C(C)C	507577497	IZBNCVPAMDMVPR-UHFFFAOYSA-N	415.493	5.585	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCc2cccc(NC(=O)c3ccccc3)c2)CC1	507650917	BOVKAJBEJKJQCJ-UHFFFAOYSA-N	409.533	5.433	30	20	HKED	
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSCc1ccc(C(C)C)cc1	508817972	GNBKZGJIFZBEAT-UHFFFAOYSA-N	413.587	5.008	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1	510842208	JGNPTPKVCPLNAH-LJQANCHMSA-N	421.545	5.174	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCOc2ccc3ccccc3c2)cc1	511748027	GLOFMQBSHXVVJC-UHFFFAOYSA-N	414.505	5.062	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1nc2ccccc2s1	513734040	ZHSCHVMPPHRAOS-FQEVSTJZSA-N	405.482	6.002	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3ncsc3c2)cc1	513871925	ZQIWSYAFSREAFK-UHFFFAOYSA-N	416.481	5.541	30	20	HKED	
Cc1sc([C@H](C)NC(=O)NCCc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	517778397	XONDDCQHBZNSFR-AWEZNQCLSA-N	424.957	5.247	30	20	HKED	
CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	519909289	QJBVMNHDMXWSFN-OAQYLSRUSA-N	404.539	5.611	30	20	HKED	
Cn1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c(-c2ccccc2Cl)n1	520876195	PPUYZDHUHMTLGG-UHFFFAOYSA-N	424.957	5.585	30	20	HKED	
COc1ccc([C@H](NCc2cccc(OCCCC#N)c2)c2ccc(C)cc2)cc1	520978825	JVJLAEJAHJOKDF-AREMUKBSSA-N	400.522	5.565	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	521325998	CAQQYBPYLWUEGO-MRXNPFEDSA-N	417.490	5.377	30	20	HKED	
C=CCN(C(=O)c1cc(C)nc2onc(C(C)C)c12)c1nc(-c2ccccc2)cs1	521326763	JBHCVRXRNBBZBY-UHFFFAOYSA-N	418.522	5.611	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F	525558278	DVYXZIPQFONITG-RBBKRZOGSA-N	420.434	5.621	30	20	HKED	
N#CCC[C@@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccccc1	533373502	LOVQSFMGQDPXFX-OAHLLOKOSA-N	416.706	5.359	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C	538234360	KVGSKEXOQOIPMW-AOMKIAJQSA-N	413.562	5.535	30	20	HKED	
Cc1cc([C@H](NCCCC2(C#N)CCOCC2)c2ccccc2Cl)ccc1F	538610026	JFVRGWOCTKREDA-QFIPXVFZSA-N	400.925	5.567	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C	538677844	FDSJWBFYPZVEPB-QGZVFWFLSA-N	402.498	5.060	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	539307869	CSOXQDJAFXPFDF-NRFANRHFSA-N	401.470	5.060	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(C(F)(F)c4ccc(F)cc4)no3)cc2)nc1	546372837	QYUOIGLUEPFDQW-UHFFFAOYSA-N	408.339	5.075	30	20	HKED	
C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1	549302831	VPZWCDVAWAUYOG-NRFANRHFSA-N	424.980	5.088	30	20	HKED	
C[C@@H](Nc1ccc(C#N)cc1Br)[C@@H](OC1CCOCC1)c1ccccc1	573052050	LAVNCVDPFYMBJB-QVKFZJNVSA-N	415.331	5.058	30	20	HKED	
CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CCC(F)(F)CC1	577406164	QEIQFEOEQCORBZ-UHFFFAOYSA-N	417.431	5.318	30	20	HKED	
CCOc1cc(Br)c(F)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	579658868	UZNYZNYGSDORGO-CQSZACIVSA-N	405.267	5.013	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1	592075542	HLPWBRJJKCAVNZ-UHFFFAOYSA-N	417.789	5.632	30	20	HKED	
C[C@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccc(C#N)cc1	603568749	ONXUOMIGYHLLBI-JTQLQIEISA-N	408.832	5.936	30	20	HKED	
COc1ccc2oc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c(C)c2c1	603638616	UPECVSXRQNZJPJ-UHFFFAOYSA-N	412.445	5.453	30	20	HKED	
N#CC1(NC(=O)CN[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CCCCC1	604011077	UZTZMVDNFKUSPL-NRFANRHFSA-N	416.352	5.015	30	20	HKED	
CCN(CC)c1ccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2CC)cc1	604090437	KTNFIXRCGIBXLC-OAQYLSRUSA-N	405.571	5.038	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)CC(C)(C)C)cc1	609191563	ILTHJHMGWPERCO-UHFFFAOYSA-N	417.553	5.564	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609297270	ZUKMSRUMQFEOLQ-AWEZNQCLSA-N	410.395	5.601	30	20	HKED	
CC(C)N(C)Cc1ccccc1CNCc1cccc(OCc2ccccc2C#N)c1	609432897	ZKJIODWKAXCWHO-UHFFFAOYSA-N	413.565	5.267	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCC3(Sc4ccccc4)CC3)cn2)c1	609469025	HJJONASTAHAEBL-UHFFFAOYSA-N	416.506	5.192	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1	612546299	JGTFTCMDNMNYCL-OAHLLOKOSA-N	412.209	5.136	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	613404897	QBDVLEOAYNLPBD-HNNXBMFYSA-N	420.481	6.306	30	20	HKED	
C=CCn1c(S[C@H](C)c2cc(F)ccc2F)nnc1[C@H]1COc2ccccc2O1	615341809	HYHWGZNVDUHZHT-BFUOFWGJSA-N	415.465	5.108	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccnc2)nc2sc(-c3ccccc3)cc2c1=O	618426826	BTGDEGJPKNMZFH-HNNXBMFYSA-N	405.548	5.559	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc2ccccc2n1	621026935	VENOSGHRFOFXLE-CQSZACIVSA-N	424.312	6.155	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc(C(F)(F)F)cc1	622566639	TTXRFMSEDCFJPM-BTDLBPIBSA-N	407.329	5.600	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	670060656	IUSFKRLNSKTMQD-RKDXNWHRSA-N	423.279	5.003	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCc1ccc(C(C)(C)C)cc1	727628275	TYJFLRMTTMBXFF-FQEVSTJZSA-N	406.526	5.053	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(OCc2ccc(F)cc2)cc1	727685562	RWWORQXUGDCLCU-JLHYYAGUSA-N	416.477	5.819	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C	728297188	BUFFZHLXBUBUOY-GOSISDBHSA-N	417.484	5.332	30	20	HKED	
Cc1ccccc1COc1ccc(C(=O)/C=C\c2nccn2CC(F)(F)F)cc1	728697186	FCEFCNQDLXQFEY-KHPPLWFESA-N	400.400	5.229	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2\CSc3ccc(Br)cc3C2=O)cc1	728697630	UJGMNTKBIPMAPK-ZBQKXELDSA-N	400.297	5.112	30	20	HKED	
COc1ccccc1/C(C)=C\C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	729370296	SGRQFZJZSSDRLN-OFBYCLMTSA-N	412.489	5.059	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1nc2ccccc2o1	730071555	PMFNWZYNECKUEW-ZHRRBRCNSA-N	420.440	5.816	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1	730072753	XLOWFKIXGIZDHX-HXUWFJFHSA-N	415.880	5.214	30	20	HKED	
C[C@H](NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccs1	730954655	GOTZIGDHNMTOHG-NSHDSACASA-N	415.531	5.820	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2o1	732596526	WMLMGWKIWGOVLH-BHDDXSALSA-N	408.457	5.387	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)/C=C\c3ccccc3C#N)s2)cc1	739609693	DDKLFIQSRXNAMV-SWNWVQGVSA-N	401.535	5.531	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCSc4ccc(F)cc43)c2)s1	740025437	GGQDNXOFEYZBEA-LJQANCHMSA-N	423.538	5.462	30	20	HKED	
COc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1Cl	743282321	LBANOYDLFHNPRY-APSNUPSMSA-N	421.330	5.279	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)ccc1OCC(F)(F)F	750909758	NSBDLNJKWZTIAL-VQHVLOKHSA-N	410.436	5.317	30	20	HKED	
Cc1cc(/C=C/C(=O)c2cc(Br)ncc2F)ccc1Oc1cccnc1	762426066	YGFCMZABEVXTTM-GQCTYLIASA-N	413.246	5.375	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC=C(c3ccc(C)cc3)CC2)c1=S	764865694	PSEXJUTZBMSLHI-UHFFFAOYSA-N	417.582	5.107	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)cs1	766696995	ZIVCKSAQLTZUKR-XLTHYULKSA-N	422.937	6.173	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1	767137252	JZWSDTNKVSSGGF-IBGZPJMESA-N	416.443	5.142	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2c(F)cccc2Cl)cs1	769826665	IAFXGOMHFPYYJA-UHFFFAOYSA-N	423.300	5.720	30	20	HKED	
N#Cc1ccc2ncc(CNc3ccc(OC(F)F)c(Cc4ccccc4)c3)n2c1	770512348	IPXMRKVYNKTGIC-UHFFFAOYSA-N	404.420	5.010	30	20	HKED	
Cc1ccc(C(=O)OC[C@H](C#N)Cc2cccs2)cc1NC(=O)Nc1ccccc1	772732320	FCUBSUBXVPHFHH-KRWDZBQOSA-N	419.506	5.240	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cc3cc(Br)ccc3o2)c1	776165632	TVOKOIOJIBIUJS-KDOFPFPSSA-N	413.315	5.727	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(N2CCCCCC2)cc1	777116286	FCKCUYSCTKTVCC-FQEVSTJZSA-N	418.585	5.073	30	20	HKED	
O=C1/C(=C\c2ccc(OCc3ccncc3)cc2)CCc2ncc(C(F)(F)F)cc21	777468507	SLBFSBZQZHTDBI-BOPFTXTBSA-N	410.395	5.287	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)Nc4ccccc4O[C@@H](C)C#N)CC3)c[nH]c12	780673845	FCYQIPGMMHIAER-KRWDZBQOSA-N	416.525	5.433	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1ccc(F)cc1OCC#N	781727573	QPQKUKWGLKNFGV-UHFFFAOYSA-N	420.227	5.251	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3Cl)c(Cl)nc21	782188060	HKKRAOCWKRQUJV-ZZXKWVIFSA-N	405.241	5.123	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1cccnc1)c1cc(Br)cs1	782369136	LBOKPWQCDQWQLH-BQYQJAHWSA-N	400.297	5.381	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	802036436	XDIVUYJMVXMSDQ-QAPCUYQASA-N	402.347	5.098	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)cc1	804290242	MTLDWWHQHXPBQT-UHFFFAOYSA-N	424.369	5.050	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=S)Nc1ccccc1Oc1ccccc1	809164134	NPWDAJVTCOSINW-UHFFFAOYSA-N	417.534	5.196	30	20	HKED	
C[C@@H](NCc1cc(C(F)(F)F)ccc1Br)c1ccc(C#N)cc1F	810153219	RCILVEZYAIOGLT-SNVBAGLBSA-N	401.201	5.329	30	20	HKED	
CCc1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917045621	YWISZSUJAHZYAC-HNNXBMFYSA-N	404.413	5.133	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1	918197104	HNJBZOUPVPFQGK-RUZDIDTESA-N	403.957	5.763	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C/c1csc(COc3ccc(Cl)cc3)n1)CO2	918714158	YWLAUMMXUHFMTK-MDWZMJQESA-N	413.882	5.043	30	20	HKED	
Cc1cccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)C[C@H](C)C#N)c2=S)c1	921031036	WHGNNLDGNJVAMC-MRXNPFEDSA-N	411.962	5.081	30	20	HKED	
COc1ccc(-c2csc(NC(=O)c3ccccc3SCC#N)n2)cc1Cl	921243297	TWFZACJZFSBQAP-UHFFFAOYSA-N	415.927	5.340	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)CCC1	1789193239	OPHMPTSMWSFHNK-WTIAFYNJSA-N	406.570	5.140	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccccc3)CCC2)cc1	1791300795	CRVLTYVCPKGRAK-SFTDATJTSA-N	424.491	5.136	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCC3CCCC3)CC2)C1	1804859253	MTEMCJVDNKJJPN-UHFFFAOYSA-N	402.623	5.180	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)C1	1823701284	FXSXNOUYKVGLRL-QHCPKHFHSA-N	414.634	5.179	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c(F)c1	9966340	GMXDZPRSWCUWDR-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccco1	11309213	ZXVXQMAYQHLOET-NSHDSACASA-N	423.325	5.150	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc(C(F)(F)F)cn1)c1nc(-c2ccccc2)cs1	26051148	QRUFLSQOJCMKKI-CQSZACIVSA-N	419.453	5.192	30	20	HKED	
COc1ccc(-c2cc(NC(=O)CCc3ccc(C#N)cc3)ccc2OC(F)F)cc1	29796367	LUONGCXSMLVZAC-UHFFFAOYSA-N	422.431	5.407	30	20	HKED	
C=CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1nc(-c2ccccc2)cs1	42710850	ZFHBGYDMTIKMGE-UHFFFAOYSA-N	406.555	5.472	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@H](c3cccs3)N3CCCC3)c2)c1	60958321	IQNUEDQDFVKWDG-XMMPIXPASA-N	417.578	5.125	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2[nH]1	62674812	JERNOSVFXKHODF-LLVKDONJSA-N	413.289	5.483	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3C)c3c(C)noc3n2)c(C)s1	63961697	XNQCXIMRNWGBOK-UHFFFAOYSA-N	402.479	5.309	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C	63961742	KQDYUORVKQDUFG-UHFFFAOYSA-N	401.413	5.570	30	20	HKED	
CC(C)c1c(/C(O)=N/c2nc(-c3ccccc3Cl)n[nH]2)cnn1-c1ccc(F)cc1	97576533	MYVKOMOCLXGSEJ-UHFFFAOYSA-N	424.867	5.210	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	116553026	ZZUPWDSUSONFTD-UHFFFAOYSA-N	422.868	5.202	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](c2ccccc2F)C1	410290798	SFMQHWQMKKNZGV-LLVKDONJSA-N	405.313	5.493	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CC4(CCC4)c4cc(Br)ccc43)cc2)CC1	433714234	PWHKIQJRBLZAJH-UHFFFAOYSA-N	407.311	5.086	30	20	HKED	
N#CCCn1cc(CN2CCC[C@H](CCCc3ccccc3)C2)c(-c2ccncc2)n1	435133148	PJHAQWFRLWDCOE-QHCPKHFHSA-N	413.569	5.094	30	20	HKED	
C=C(C)Cn1c(SCc2nc(C3CCCCC3)cs2)nnc1-c1ccncc1	435697599	NZGXQIGCHCRXQA-UHFFFAOYSA-N	411.600	5.713	30	20	HKED	
CCc1ccc([C@H](COC)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1	438064934	VTRAZOMSCPSLIX-NRFANRHFSA-N	405.454	5.015	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1SCC(F)F	438323038	PCFQVQYPFULSRD-FUHWJXTLSA-N	419.472	5.487	30	20	HKED	
COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438649678	VIKTYIXLYPDAPT-UHFFFAOYSA-N	405.420	5.038	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(CCC(F)(F)F)cc1	440277143	BDYONYCCWIVTPI-UXHICEINSA-N	401.432	5.485	30	20	HKED	
CN(C)CC1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	442227499	FSTILHDBRQCCJL-FQVRHNBASA-N	424.976	5.237	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1occc1-c1ccc(F)cc1	443579885	RKVNDVMYOFUGCJ-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)s1	444112116	OWBWKOTXNNZJDB-AWEZNQCLSA-N	420.376	5.311	30	20	HKED	
CC(C)(NC(=O)c1cn(CCCC#N)c2ccccc12)c1nc(C(F)(F)F)cs1	444295145	DEWVRANWJLOANZ-UHFFFAOYSA-N	420.460	5.085	30	20	HKED	
CCc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	445917097	HZUIRUXWEBBVTG-NRFANRHFSA-N	417.896	5.135	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1	447512143	OROJUDQHJBWREE-KRWDZBQOSA-N	409.445	5.606	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccccc1C[S@@](C)=O)c1ccc(C(F)(F)F)cc1	460229190	DEAABSNFMKHSKL-RBSBEOHCSA-N	424.488	5.413	30	20	HKED	
N#Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1	460335695	OZJDRTGSFFNJKS-UHFFFAOYSA-N	417.921	5.409	30	20	HKED	
C[C@H](C(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1cccc(C#N)c1	462146052	KLTLSQZLQNVIMK-YCRPNKLZSA-N	404.901	5.069	30	20	HKED	
N#Cc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C(F)(F)F	462184075	ATNXDNPJGSYQQQ-UHFFFAOYSA-N	421.728	5.300	30	20	HKED	
C[C@H](C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1	462333743	KBRSZTZFNNJNGT-LBPRGKRZSA-N	401.413	5.443	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)c2ccccc12	462951128	QDTDVGOOMDBJFY-HNNXBMFYSA-N	419.912	5.110	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(-c3csc(C)n3)c2)cc1	463159474	FGNNLISBYGBQQT-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	463195711	FGTNUYYPZTUKTA-KRWDZBQOSA-N	423.538	5.059	30	20	HKED	
C[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(Cl)c2ccccc12	463264269	YRYQTDCYMHDIHN-MWTRTKDXSA-N	419.912	5.209	30	20	HKED	
CCCN(C(=O)c1cccs1)C1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1	463665008	PVRASCSFKWKARW-UHFFFAOYSA-N	421.488	5.160	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC(=O)Nc1cc(Cl)ccc1Cl	464819209	BAPWRRPJMHDIRF-PXNSSMCTSA-N	402.325	5.094	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1	467705850	SGWZITBHLCZYGV-IAGOWNOFSA-N	405.527	5.149	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2c1	468017212	LXMNJTBWJXMOLY-UHFFFAOYSA-N	422.488	5.172	30	20	HKED	
C=CCn1c(SCc2ccc(Br)c(Cl)c2)nnc1-c1cccnc1	468482955	HQDKMCKEFOMHEB-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	470825387	KWVACKXAHJMSDJ-LAUBAEHRSA-N	413.452	5.049	30	20	HKED	
C=CCCCCNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	473667284	RFCNALJNDBWNNH-UHFFFAOYSA-N	405.420	5.436	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3cccs3)C2)cc1F	473808354	PNMFYYHRBYTXPU-FQEVSTJZSA-N	423.469	5.157	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2c(ncn2-c2ccccc2)C1	475587257	YPJFFRPQJKYIEX-UHFFFAOYSA-N	400.526	5.314	30	20	HKED	
CCCN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCc2cccnc21	480565036	UVMLFYMYBCOGHK-DEOSSOPVSA-N	410.521	5.198	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3)n2)nnc1-c1ccccn1	481367713	FPLIOVKOWIJNPS-UHFFFAOYSA-N	406.540	5.019	30	20	HKED	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1	481381369	WVGZROKBXNJHMH-SFHVURJKSA-N	422.492	5.031	30	20	HKED	
COc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccc1OCC(F)(F)F	481913585	OUILQHAARCVFCC-IBGZPJMESA-N	404.432	5.065	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	482381576	WGXVVNTZEJFRCF-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
C=CCOc1cccc(NC(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)c1	483455237	ZYNHTMRHRYUGPG-JOCHJYFZSA-N	407.901	5.553	30	20	HKED	
N#C[C@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1nc(-c2ccncc2)cs1	483527688	CMUJAVWVGHKRJY-GOSISDBHSA-N	422.469	5.503	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C)nc2Sc2ccccc2)cc1	486864353	CFPBWVUPRLMRPJ-UHFFFAOYSA-N	418.522	5.101	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2cccs2)n1	489650853	UASIQGFIKDZDAU-UHFFFAOYSA-N	410.524	5.052	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F	489792680	AUIRTBJAFPAVDV-UHFFFAOYSA-N	414.859	5.746	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2F)nc1	490160058	VPKDZAFQXQXFRL-UHFFFAOYSA-N	402.429	5.105	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2F)s1	496345180	LSWINHYSHREITD-TZIWHRDSSA-N	420.513	5.177	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1	499726731	QNSYJYHYLCCPEG-KGLIPLIRSA-N	403.345	5.586	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc12	499858200	DEBSMDZJCJXNCP-LJQANCHMSA-N	420.925	5.103	30	20	HKED	
N#CCc1ccc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)cc1	500389135	ZSQOCRHIWADGAM-UHFFFAOYSA-N	424.323	5.314	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1C	500751992	DZDOYDILHXAEEG-UHFFFAOYSA-N	402.450	5.237	30	20	HKED	
Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@H](C#N)c1nc2ccccc2o1	504562555	ZCQMSBJXVJCAGY-AWEZNQCLSA-N	422.238	5.044	30	20	HKED	
CCCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1Br	505311121	OPMXBKMNCTWIQJ-HOTGVXAUSA-N	414.347	5.565	30	20	HKED	
C=CCC[C@H](NC(=O)NC[C@H](C)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	506375533	QLUHURNMMWOAKS-UGSOOPFHSA-N	409.452	5.420	30	20	HKED	
CCSc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	506716739	DLWIXZBIBIUCKD-UHFFFAOYSA-N	417.534	6.088	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509720861	TUKGSLOKRMIKCR-HNNXBMFYSA-N	424.316	5.582	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c2)cn1	510312043	ALGMDNKIZVEGOQ-UHFFFAOYSA-N	423.472	5.281	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCc1ccc(F)cc1	510874262	YLZMCDXAWDNBJA-UHFFFAOYSA-N	403.457	5.505	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	511762498	MGCDBIOUVRCELT-FQEVSTJZSA-N	417.534	5.091	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)COc1ccc2cc(Br)ccc2c1	512712408	QSBTUZWTKMZJGU-UHFFFAOYSA-N	415.674	5.145	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)c1	512723124	OWIPRYWUIBJUFB-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1	512833852	OPKICJDEVBHMQC-INIZCTEOSA-N	420.440	5.213	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1	515875054	NLQFAGRQBKVAJC-UHFFFAOYSA-N	420.459	5.354	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Cl)c2ccccc21	516714218	VKIQEYZWVNKRCL-MRXNPFEDSA-N	416.893	5.317	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1	517110953	LRWBSVXPGZQMNC-UHFFFAOYSA-N	406.511	5.426	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)c(F)c3)n2)cc1	519318176	YAKMUISYEBRGHE-CQSZACIVSA-N	415.287	5.510	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3sccc3OC(F)F)cc2)c1	521518872	SCLWMFAWXDVNSG-UHFFFAOYSA-N	400.406	5.052	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3coc(-c4ccccc4)n3)c2)cc1	523100991	PJVPEDATEVOVOO-UHFFFAOYSA-N	409.445	5.239	30	20	HKED	
Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1Cl	525313070	UGGUEEUYZQASBX-UHFFFAOYSA-N	407.876	5.894	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(C)c(C)cc4o3)n2)cc1	525860058	NPPHNQXXQGDSIO-GOSISDBHSA-N	402.475	5.672	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1nc(-c2ccc(Br)cc2)cs1	537292336	HQHPZKGQPOBJQP-KGLIPLIRSA-N	412.356	5.856	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	553319788	BYLATFHCOLSXOJ-KKSFZXQISA-N	409.555	5.631	30	20	HKED	
Cc1cc(Cl)c2ncc(C#N)c(NC3CC(N4CCC(C(F)(F)F)CC4)C3)c2c1	558783850	DXJUCNYGVIVFOW-UHFFFAOYSA-N	422.882	5.286	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1	561229357	MEXQKOPHOKEXNO-UHFFFAOYSA-N	413.420	5.061	30	20	HKED	
N#Cc1cc(Br)ccc1CN[C@H](c1cccc(Cl)c1)c1ccccn1	561866088	ZZAFKIWMTOATGR-HXUWFJFHSA-N	412.718	5.248	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC(F)F	563659049	XNIVEVVDTDHDPL-UHFFFAOYSA-N	410.380	5.299	30	20	HKED	
N#Cc1cc(Cl)ccc1CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	565883873	QNBUGSJVSHLZIN-HXUWFJFHSA-N	408.851	5.488	30	20	HKED	
FC(F)Oc1ccc([C@H](NCc2ccc(C(F)(F)F)cn2)C(F)(F)F)cc1	573391413	HNAKHWRFKIANGH-ZDUSSCGKSA-N	400.269	5.095	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	578562141	QTYKHZDGHYWZCQ-KRWDZBQOSA-N	411.889	5.282	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Oc2cccnc2)cc1	581333715	SKIRXUMLYHFHKT-INIZCTEOSA-N	403.486	5.185	30	20	HKED	
N#Cc1ccc(CNCc2cc(Br)cc(Br)c2)cc1Cl	588927299	PTIOBUIUVYAVGB-UHFFFAOYSA-N	414.528	5.026	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1	588999729	JONRMMZCLUMMLH-UHFFFAOYSA-N	412.877	5.064	30	20	HKED	
N#Cc1c(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cn2ccccc12	589958404	HWIUIYOSVOGGIW-UHFFFAOYSA-N	411.490	5.003	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)sc2C)cc1	592974045	MVIVAMKBCJBGEH-QGZVFWFLSA-N	422.506	5.971	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc(-c2ccccc2)cs1	601186475	VRDSZNGTQUXGGT-GOSISDBHSA-N	424.529	5.488	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccccc2F)CCCC1	603738771	MUZYDHRRZFQIFM-UHFFFAOYSA-N	415.468	5.644	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	603815509	GYQUMBLWXOLSTC-UHFFFAOYSA-N	405.523	5.472	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)c(C)c1	604526211	QTZIQDJKFAZVCD-GOSISDBHSA-N	411.571	5.438	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1	608967678	HIFZUQBXMZDDLP-OAQYLSRUSA-N	400.478	5.140	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609069202	HIOBFMZYJCKVPN-UHFFFAOYSA-N	414.383	5.021	30	20	HKED	
CCN(Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@H](C)c1ccc(C#N)cc1	609193121	JZKLIWLZIOOXNQ-MRXNPFEDSA-N	407.539	5.282	30	20	HKED	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cn2)CC1	609436294	IHZNSKHCYIXUQV-GOSISDBHSA-N	423.586	5.034	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1	609535147	MWEZJWFLZSHSAZ-LADGPHEKSA-N	412.558	5.917	30	20	HKED	
C=CCN(C(=O)C[C@H]1CCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609651116	KFUUMEJGFVMHMQ-GOSISDBHSA-N	419.506	5.357	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	610019572	UHFFEAGPQGRASS-LJQANCHMSA-N	413.477	5.381	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc3c(Cl)cccc3s2)c1C	610053728	SMGRQRKJGIKDNS-UHFFFAOYSA-N	406.898	5.481	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610321423	UELSQMFUJVLMDF-ZHRRBRCNSA-N	416.456	5.500	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CSc3nccc4ccccc34)cn2)c1	610798679	NWDRGYVGGJMXAU-UHFFFAOYSA-N	412.474	5.025	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2nc1O)c1nc2cc(C(F)(F)F)ccc2s1	613404157	JZVQEAWZBSINDK-ZDUSSCGKSA-N	413.380	5.059	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1	615674989	NEYFMPYOIAQVSV-QGZVFWFLSA-N	400.494	5.080	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1Cl	619786858	VEVPPNPCIAZSGW-UHFFFAOYSA-N	402.841	5.342	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N(CCC#N)c3ccc(C)cc3)s2)cc1	726940840	VRJVBONJYHUKJI-UHFFFAOYSA-N	405.523	5.386	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	727233264	LNUVDPBLDLPYGM-VXGBXAGGSA-N	423.341	5.094	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	729556889	QKRBXGSDDINQHA-IBGZPJMESA-N	422.485	5.051	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(C3CCC3)C2=O)c1	730460442	ZPSKKPLELZBMNX-OAQYLSRUSA-N	421.566	5.125	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	731114258	LWNFNYXZDIKPHO-KRWDZBQOSA-N	418.566	5.831	30	20	HKED	
CCCCc1nnc(S)n1N=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl	731149219	ORIBLUZTWJOJER-UHFFFAOYSA-N	416.982	5.064	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccc(-c2cccc(F)c2C)o1	734414953	UWCPZBVWDSQZIJ-JOCHJYFZSA-N	424.472	5.052	30	20	HKED	
CC(=NOCc1nccn1CC(F)(F)F)c1ccc(OCc2ccc(C)cc2)cc1	736611456	ZCAFHQCCTJWQSB-UHFFFAOYSA-N	417.431	5.274	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1	739155696	SMLZHRRPGYCQSP-LIRRHRJNSA-N	402.416	5.109	30	20	HKED	
CS[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	740539935	WCHLGVVLLYFMPI-YJYMSZOUSA-N	400.475	5.369	30	20	HKED	
C[C@@H](Nc1cccc(COc2ccccc2)c1)C(=O)N(CCC#N)c1ccc(F)cc1	743473861	YSOYVRKUMFMQKT-LJQANCHMSA-N	417.484	5.152	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)c1)C(=O)O	745022348	ZXOGINMUSKJTOZ-WTNCMQEWSA-N	413.882	5.212	30	20	HKED	
CC(=NN=Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1)c1cnccn1	745206555	KEDGPOKSBNKQMZ-UHFFFAOYSA-N	417.469	5.318	30	20	HKED	
COc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)ccc1OCc1ccc(F)cc1	746345260	BXBJXGFQLWPOAV-WQLSENKSSA-N	422.500	5.704	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Cl)c(Cl)c1	747113925	OOTYEFQQDAGHNQ-SMDDNHRTSA-N	402.306	5.492	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c1	747498134	CZJUESJAAKJULL-LLGFUMIMSA-N	413.949	5.355	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2ccccc2n1C	750681136	YCAZNPCBHHECBV-CJNGLKHVSA-N	420.925	5.132	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(C)cc(C(F)(F)F)c2)ccc1OC	753237252	AONVKQVKLMBMBA-KRWDZBQOSA-N	421.419	5.025	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1OC(F)F	753390609	QUUBITQJHFZIOJ-QAAVPBIRSA-N	408.404	5.073	30	20	HKED	
N#Cc1cc(Cl)ccc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	753832686	LPILXIPUDQRUEY-UHFFFAOYSA-N	406.121	5.903	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3c(F)cccc3C2)cc1	757879524	REBXGUSCQBRORR-UHFFFAOYSA-N	415.468	5.061	30	20	HKED	
N#C[C@@H](C(=O)CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc2ccccc2n1C(F)F	759440878	NOEJCNASDJEIOF-YPDJSWMCSA-N	401.432	5.306	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)c1	760019264	FMQCEORAPIJXMT-LJQANCHMSA-N	416.953	5.435	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c1	760457707	HNCAGCYWKXHJTQ-UHFFFAOYSA-N	417.465	5.186	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@@H](c2ccccc2)C(C)C)c1=S	764996223	UACAGDCCURWTQX-OAQYLSRUSA-N	407.587	5.339	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1	765529367	UXGNWJFJDQHZSQ-GOSISDBHSA-N	421.928	5.316	30	20	HKED	
COc1cc(C(C)=NNc2ccnc(Br)c2)ccc1SC(F)F	769799835	SLJNYXNJHXHPBM-UHFFFAOYSA-N	402.264	5.004	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1nc2ccc(Br)cc2s1	773067362	FGGKZMCLZINSFA-UHFFFAOYSA-N	401.207	5.491	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	775353881	XMXQLVWRHSRLEB-UZLBHIALSA-N	416.550	5.075	30	20	HKED	
C#CCOc1ccccc1NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	775621171	OZVFRNTXXMHHQD-UHFFFAOYSA-N	419.868	5.248	30	20	HKED	
COC1CCN(c2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2C(F)(F)F)CC1	777679094	DHKJUFBPKHTRSL-OAHLLOKOSA-N	403.448	5.365	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3O[C@H](C)C#N)c2)c1	780160886	RAJOJWWSIUPJCH-LJQANCHMSA-N	400.478	5.046	30	20	HKED	
N#CC1(COC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCOCC1	780540295	ZQMWOWPRLBULAY-IBGZPJMESA-N	419.905	5.176	30	20	HKED	
COc1ccc(-c2ccc(CNC(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1	780677288	DMLXONSWBYVOET-HNNXBMFYSA-N	407.495	5.036	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1cccnc1Oc1ccc(Br)cc1	782888367	WCXOHLAHVSHPFU-UHFFFAOYSA-N	403.276	5.123	30	20	HKED	
COC(=O)[C@@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1c(F)cccc1Cl	784068672	UCXIAXJITPGGDX-AVRDEDQJSA-N	408.860	5.461	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC1CCCC1	784821236	NSQFNAFJRZCHQG-IBGZPJMESA-N	416.477	5.012	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccccc2F)CC1)c1nc2cc(C(F)(F)F)ccc2s1	785879554	BPYTUOCXKGMNEG-CQSZACIVSA-N	418.415	5.653	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1nccc2ccccc12	792092758	RIBIGZUVFDQRSK-QFIPXVFZSA-N	422.444	5.245	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@H](C)C(C)(C)C)cs1	793117086	WPSCPSQIHRTYFS-GFCCVEGCSA-N	412.481	5.205	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	793586016	OWYXIHSZRMHWDW-MRXNPFEDSA-N	407.514	5.326	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1	800151866	PBUDSWWNRLORHI-UHFFFAOYSA-N	405.385	5.267	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	915104181	MSYUXYZBEACHAX-GFCCVEGCSA-N	422.453	5.524	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	916152029	KJLDXWGNANLYGP-JLHYYAGUSA-N	411.486	5.399	30	20	HKED	
FC(F)SCc1ccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1	916834476	QNJBWCXAAAGLLG-IUCAKERBSA-N	411.358	5.735	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)n1	916843722	HPAFONXVMJXXFE-RYLBPJMTSA-N	404.579	5.783	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1	916897526	NIZSOHXCBPYHJF-JQYPEGPJSA-N	420.921	5.738	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2COC)cc1	916955066	MBTYUOKESMPZEB-BEFAXECRSA-N	404.466	5.054	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1	917047496	YRONGNGLAFSCDC-AVRDEDQJSA-N	418.905	5.946	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C\C(=O)c1ccc(N2CCCC2=O)cc1	917143672	ODTQQZMDPRRFFG-YPKPFQOOSA-N	419.912	5.165	30	20	HKED	
FC(F)(F)c1ccc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc1Cl	918735247	GJTJJFMOQJZDAV-BQBZGAKWSA-N	400.672	5.321	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCc3c(Cl)cccc32)cc1	919904350	IHJFCOHYLYVCOT-JTHBVZDNSA-N	401.897	5.804	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccccn3)n2)CSc2ccc(Br)cc21	920069641	XGJXEVRRYVFORF-YRNVUSSQSA-N	415.337	5.340	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)cc3Cl)n2)cc1	920138382	GMHBNEHNCFOPKF-INIZCTEOSA-N	417.317	5.544	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc2nc(O)oc2c1	1668492266	SZCSDNPOZXTJLA-AWEZNQCLSA-N	414.421	5.080	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)[C@H](C)CC	1795568706	TZTKXEHXFZMXET-HKNOCEQDSA-N	422.613	5.223	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)C1	1804860075	WBAQIEGWFYTMRR-LJQANCHMSA-N	424.576	5.036	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1	1823750211	BYROZGCTJFGQCF-JOCHJYFZSA-N	414.590	5.122	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)s2)CC1	1825347317	ZJHIKNHPDNZWGQ-GOSISDBHSA-N	420.594	5.113	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832403843	BMPRPCWRIBUTKF-BKMJKUGQSA-N	414.634	5.345	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21	5185617	HTBQOIFPVGALEL-CYBMUJFWSA-N	407.455	5.034	30	20	HKED	
C=CCn1c(SCC(=O)NC(C)(C)CC(C)(C)C)nnc1-c1ccc(Cl)cc1	8205203	OEYZGGFUBQWBSO-UHFFFAOYSA-N	421.010	5.208	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2cccc(C)c2)c1	11249082	XXLBWFJPVZHRGB-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
Cc1ccc(C)c(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccccc2Cl)c1	15235302	JKHWJLRUZGUMBV-QGZVFWFLSA-N	421.957	5.740	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1ccc(F)cc1	26040471	WUOLVQACRSYANC-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccs2)n1)c1nc2ccccc2n1C(F)F	41557939	AQHIJVONKPOKAM-JTQLQIEISA-N	400.435	5.106	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1OC	46706662	MZKKGFZNVBKLKU-CYBMUJFWSA-N	400.887	5.237	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1	56758019	FTMISOLENFGCRX-QFIPXVFZSA-N	407.489	5.009	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1	58479139	UGOWTVZLGBCKTD-UHFFFAOYSA-N	401.466	5.456	30	20	HKED	
C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(OC)cc2)CC3)CC1	208849020	UKMPRJNCVCJCIK-LVZFUZTISA-N	410.517	5.522	30	20	HKED	
Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(OCc2ccccc2)cc1	254695953	BUUOPCMLFXPEMX-UHFFFAOYSA-N	404.470	5.208	30	20	HKED	
C[C@H](Nc1nc(N[C@H](C)c2nc3ccccc3[nH]2)ccc1C#N)c1nc2ccccc2[nH]1	302859259	UEDOMYAZEKISFM-CABCVRRESA-N	422.496	5.052	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	303245647	AOXPYECAZDEZIJ-CQSZACIVSA-N	411.914	5.428	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)Oc1ccccc1	303559254	NCQXTEQXHJLUKA-LJQANCHMSA-N	415.493	5.035	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2ccccc2n1CC(F)(F)F	426293920	SBHMTQPJSDUKAX-CQSZACIVSA-N	417.456	5.708	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	428229373	DZGDFSWGSZBHGF-UHFFFAOYSA-N	408.889	5.158	30	20	HKED	
N#CCC[C@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)c1ccccc1	430595698	YILPSYNCCZZSKG-QHCPKHFHSA-N	423.472	5.095	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	431089653	ZRVIBVQLLYMHET-SFHVURJKSA-N	424.957	5.817	30	20	HKED	
N#CCCC[C@H](NCc1cc2c(cc1Br)OCCCO2)c1ccccc1	433022774	XKXNWSVZPJNGME-IBGZPJMESA-N	415.331	5.135	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433285752	STSHHYJCSOSGRK-RDPSFJRHSA-N	404.558	5.931	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)c(C)c1F	433760148	UAHDKUQXLKLTMU-UHFFFAOYSA-N	422.254	5.025	30	20	HKED	
COC(=O)c1ccc(F)c(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	434514027	NZSNWLASLSBGGG-INIZCTEOSA-N	423.328	5.414	30	20	HKED	
N#CCCn1cc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)c(-c2ccncc2)n1	435129242	MBGXRNFDXYEVOA-SANMLTNESA-N	419.532	5.006	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1	435668426	YRLZUSSIFZOLEH-CYBMUJFWSA-N	422.476	5.375	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(-n2cccn2)cc1	438030830	FGPUPZBXJWMTOU-GOSISDBHSA-N	423.476	5.419	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(COC2CCCCC2)c1	438228464	GUEAWUQELMGKOF-DQEYMECFSA-N	417.553	5.840	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	438454576	APRFKUWNQSJDCT-GMAHTHKFSA-N	407.583	5.940	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccccc1	439398926	VIXASRWONSWSIV-OAHLLOKOSA-N	411.811	5.448	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	439553044	SJFQBMQWVSWSKF-MRXNPFEDSA-N	412.301	5.787	30	20	HKED	
N#CC1CCC(CNC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)CC1	441005401	AKIZEYYOSJEWJF-XFMWISLNSA-N	417.887	5.337	30	20	HKED	
C=CCN(C(=O)c1cc2cc(C(F)(F)F)ccc2n1C)c1nc2c(s1)CCCC2	443802417	NYKFFUYABAVMCO-UHFFFAOYSA-N	419.472	5.365	30	20	HKED	
COc1ccccc1SC[C@@H](C)CNC(=O)c1cn(CCCC#N)c2ccccc12	444171440	PGFUSKSOGLXKTO-SFHVURJKSA-N	421.566	5.112	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C	463511656	CPTXLNHRRRQNCD-UHFFFAOYSA-N	416.477	5.073	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464408737	RUWDXIFLARMKLM-LJQANCHMSA-N	417.390	5.806	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1c(F)cccc1OC(F)F	466771377	IWTVUJKRBDXJSR-UHFFFAOYSA-N	404.841	5.040	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	467390117	NNYYALKVYQQOLY-INIZCTEOSA-N	415.459	5.331	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1C#N)[C@H](c1ccccc1)C2	470404035	NCTUYSUTPSWNQN-QHCPKHFHSA-N	401.441	5.037	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H](c2ccsc2)O1	470792739	KQBXIQYUJMTCDS-AOMKIAJQSA-N	419.506	5.406	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1	475012916	AVWYJFQREHFZAT-GOSISDBHSA-N	423.944	5.429	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F	475549245	OKJMLRCQAWARIQ-OAHLLOKOSA-N	412.484	6.166	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)cc1F	475903580	XEMYAKBESBXHEI-DFBJGRDBSA-N	419.475	5.385	30	20	HKED	
C=C(C)[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(F)c(F)c1	478926436	VSVNTHPGGYSBCU-JOCHJYFZSA-N	416.468	5.127	30	20	HKED	
Cc1ccc(N[C@@H]2CCCCc3cc(C#N)ccc32)cc1NC(=O)CN1CCCCC1	482000150	RORXBGLLNHOOON-XMMPIXPASA-N	416.569	5.171	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(Cl)ccc2c1OC(C)(C)C2	483405726	WFTDZCHFNVYNSD-UHFFFAOYSA-N	416.953	5.441	30	20	HKED	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)CCc2c(C)nc(O)c(C#N)c2C)c1	484707147	RRANSZWZNQUFRC-UHFFFAOYSA-N	419.912	5.476	30	20	HKED	
Cc1cc(C)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)o1	486764907	UPBWBJOEQJOASB-UHFFFAOYSA-N	405.401	5.087	30	20	HKED	
COc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)cc(OC)c1C(C)C	486848930	XPOUUDGJLCDRQO-UHFFFAOYSA-N	404.514	5.216	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Nc3ccc(O)c(Cl)c3)cc2F)c1	486959679	XHUJSFUYUWWQMV-UHFFFAOYSA-N	411.820	5.279	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cc(F)c(OC(F)F)cc1F	491415458	PYEPFGAPKSAWOB-SECBINFHSA-N	424.316	5.810	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)nc2ccccc21	495220954	NGXZCSHARPRSNQ-HNNXBMFYSA-N	409.367	5.342	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12	498512725	UWPOWBDWCKZRNF-UHFFFAOYSA-N	411.480	5.437	30	20	HKED	
Cc1ccccc1-c1nnc(C)n1-c1ccc(OCCCC2(C#N)CCOCC2)cc1	499961582	GWJCGNVVBUMOIW-UHFFFAOYSA-N	416.525	5.031	30	20	HKED	
CCCN(C(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1Br	500399920	QNUTXGIJQVUYHQ-OAHLLOKOSA-N	400.320	5.004	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccnc3)C3CC3)cc2Cl)cc1	503257142	DKRWPBOUEAFKBY-UHFFFAOYSA-N	418.884	5.595	30	20	HKED	
C=CCOc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)c1	504070731	LASSMHUUEOFLMD-KRWDZBQOSA-N	422.554	5.212	30	20	HKED	
C=CCCc1ccccc1NC(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1	505004478	DAYRJWDNVKTUHT-UHFFFAOYSA-N	404.470	5.349	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1	505105911	XTCJGKLVWTUQLQ-QHCPKHFHSA-N	414.530	5.098	30	20	HKED	
N#C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1c(Cl)cccc1Cl	505506702	NNEYXYYTGBUUBN-LBPRGKRZSA-N	420.040	5.029	30	20	HKED	
CC1(C#N)CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)CC1	507827057	QPDCUFGWBJQPEL-UHFFFAOYSA-N	408.498	5.385	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1	509966789	CEVGEDQKOFGIRH-SFHVURJKSA-N	423.582	5.833	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)c1nc2ccccc2o1	510631435	QXVSFBATAXMYRI-SFHVURJKSA-N	424.353	6.143	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1	511019906	WLNGPTUVADZVHU-UHFFFAOYSA-N	420.601	5.229	30	20	HKED	
COc1cc(C)c(Br)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N	511862620	XPAFPAMDRSDZEM-GFCCVEGCSA-N	419.344	5.270	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1cccc(Cl)c1Cl	515313618	UJHOUIZBEOOVMU-UHFFFAOYSA-N	405.668	5.025	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCCCOc1cccc(C#N)c1	517655862	AXSVJBBTMDYJAD-UHFFFAOYSA-N	418.459	5.563	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1)c1ccccc1	517669718	IOVFLBCFNMLKMR-HXUWFJFHSA-N	413.521	5.919	30	20	HKED	
Cc1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)ccc1NC(=O)c1ccco1	518297786	UXALPQUSPGELMR-UHFFFAOYSA-N	420.468	5.492	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)oc2c1ccc1ccccc12	518849254	WKIIRWLJGCXFNU-LJQANCHMSA-N	408.379	5.908	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(-c2c(F)cccc2F)cs1	518872888	GAMCOHGYPFRUTJ-AWEZNQCLSA-N	407.401	5.233	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1	519433170	VGNPMWFURYFKJT-BZUAXINKSA-N	401.963	5.270	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1	519896183	BZMLGSBFBJNJNK-INIZCTEOSA-N	401.457	5.088	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1	521259713	QCAMZHWQGDWKKH-MRXNPFEDSA-N	417.538	5.136	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl	524930790	ZTLUNPRCJIDDPR-JOCHJYFZSA-N	424.331	5.796	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)s2)cs1	525229224	MCJOXDRYYBXETB-UHFFFAOYSA-N	422.457	5.392	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	532687593	FYWVNSSQIOHDTA-RUZDIDTESA-N	413.452	5.135	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C(F)F	534824512	LPWJHWXVEWOZPU-ZDUSSCGKSA-N	407.490	5.515	30	20	HKED	
Cn1cc(-c2ccccc2CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)cn1	535458274	FJMRICSPAZNGMR-UHFFFAOYSA-N	424.529	5.040	30	20	HKED	
C=CCCOCCCCC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C	538301875	PREFIYOLUSLRHF-LIRRHRJNSA-N	412.393	5.111	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)n1	540098584	HINPYOVNENKXHR-LBPRGKRZSA-N	405.310	5.249	30	20	HKED	
Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542068414	NCBBWMSKRZWLEF-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
COc1cc(CN[C@H](c2nc(C)cs2)C2CC2)ccc1OCc1cccc(C#N)c1	542549957	AEPAMTKHIJWRNW-QHCPKHFHSA-N	419.550	5.152	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N	543478102	MDPFQAYLHZJCEN-LAUBAEHRSA-N	413.562	5.015	30	20	HKED	
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	550830802	HVNYOEMIHULDKN-NTKDMRAZSA-N	410.583	5.489	30	20	HKED	
Cc1cc([C@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2Cl)ccc1F	551804710	IPQSBVDBJFFIDF-QHCPKHFHSA-N	404.876	5.186	30	20	HKED	
CC[C@H](NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	556424332	BJIAFLBKMRCKMS-NSHDSACASA-N	410.280	5.207	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3cccc(COCC(F)(F)C(F)F)c3)CC2)cc1	556887131	RBOQWZABHJPRRP-UHFFFAOYSA-N	421.438	5.056	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1c(F)cncc1F	558383112	VFIMNDXRHUNRPM-GFCCVEGCSA-N	412.371	5.046	30	20	HKED	
CN(Cc1cccc2ccccc12)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564442152	ZYEBQVZBZDPKDS-UHFFFAOYSA-N	408.461	5.563	30	20	HKED	
Cc1oc(C#N)cc1-c1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1	569680842	JEWFZQYUJWCUAT-UHFFFAOYSA-N	407.433	5.089	30	20	HKED	
CC(=O)N(c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1)c1ccc(C)cc1C	570156341	HVGJLALPVDJJRK-KRWDZBQOSA-N	404.539	5.167	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](c4ccccc4)CC3)s2)cc1	570619484	LNFHPORGIKFKCS-NRFANRHFSA-N	416.550	5.407	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3(c4cccnc4)CCCC3)c2)cc1	571119234	GYYAQKUNNWTSCH-UHFFFAOYSA-N	411.505	5.177	30	20	HKED	
N#CCCCCCC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1	588149724	OGPBFNXKUDQLNR-UHFFFAOYSA-N	415.990	5.187	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1	589319178	ABHFRQDNAMBPRT-OAHLLOKOSA-N	401.432	5.204	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	589740996	PDLAARUERRTHCR-STQMWFEESA-N	424.385	5.673	30	20	HKED	
O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccc(F)cc1C(F)(F)F	590335057	MXSNTWXXFLXGBU-UHFFFAOYSA-N	424.316	5.245	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](Sc1nc(C)cc(C(F)(F)F)c1C#N)C(C)C	602756591	VXNSQARCLNCUAV-KRWDZBQOSA-N	423.460	5.045	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H]1c1ccc(F)cc1F	603054183	LUVOCLFITQBZHF-JINSMIQGSA-N	415.324	5.094	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccnc3N3CCCC3)cc2Cl)cc1	604027142	IPQWHRJFOBJSLP-UHFFFAOYSA-N	418.884	5.251	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)cc2)cc1	604456977	GUXUFUXTGBQQPR-XMMPIXPASA-N	414.461	5.161	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)c1	609083274	GNBOJJNCYNUAMV-UHFFFAOYSA-N	412.223	5.057	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1csc(Br)c1	609403168	ZLPQNQHYMLNEEK-LBPRGKRZSA-N	424.389	5.426	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(OCc2ccccc2)c1	609430299	LNDQIVZGZWAXSK-KRWDZBQOSA-N	403.507	5.307	30	20	HKED	
CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609500390	FQUDGROUGIRACP-UHFFFAOYSA-N	418.468	5.225	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	609927352	OIAHVAVYFXCLRV-XJKSGUPXSA-N	421.394	5.048	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	610018661	UVRZIMXXJZUJJW-JOCHJYFZSA-N	418.472	5.286	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c(F)c1	610402683	ZFQRSLXVLDVATL-UHFFFAOYSA-N	419.422	5.371	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	618750794	WFNNNFKPJYAHOA-XMMPIXPASA-N	408.461	5.340	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2ncco2)c1C	646546940	CBYIKWDHBZZGIR-UHFFFAOYSA-N	402.372	5.486	30	20	HKED	
C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674447337	QAFGKFFRCRWBNQ-WQAKAFBOSA-N	421.303	5.398	30	20	HKED	
Fc1ccc([C@H](NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ncc[nH]2)cc1	682131007	OTEPZFPLWKRZRT-HUBLWGQQSA-N	409.349	5.137	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1cccc2ccccc12	727954238	XNBWLZFVZYAEQA-ISHSZONUSA-N	424.500	5.522	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](c2ccccc2)c2cccnc2)o1	728414727	SMJUYDYRQIYBGW-DEOSSOPVSA-N	410.429	5.072	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1csc2ccccc12	729957735	KSDBTMZDPQBIRE-OAHLLOKOSA-N	402.475	5.436	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)nc2ccccc21	730394847	NSPNZHCQGIVGSU-WMZHIEFXSA-N	415.493	5.422	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1	731062387	JPQPIOWIDTXJEL-INIZCTEOSA-N	410.539	5.031	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)c1nc2ccccc2s1	731768821	RVKDZGHBLSAFBS-DXRVJIQQSA-N	413.502	5.523	30	20	HKED	
CC(C)Cc1ccc(-c2csc(NC(=O)Cc3ccc(OCC#N)cc3)n2)cc1	731975295	DAMPYIORBXGYJG-UHFFFAOYSA-N	405.523	5.092	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(Oc3cccc(Br)c3)cc2)c1	732732539	ASCNIJGDNIQMGO-UHFFFAOYSA-N	423.266	5.396	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c1	733843869	BXQCMQLPUXKSHR-CQSZACIVSA-N	408.285	5.005	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1nccn1Cc1ccccc1	734095601	QWNJMWDZZXFYPV-QXMHVHEDSA-N	403.482	5.399	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)COc2cccc(C#N)c2)nc1-c1ccccc1	740727479	QJBCNWLJURFZGA-OAQYLSRUSA-N	415.493	5.079	30	20	HKED	
COc1cccc([C@H](NC(=O)/C=C\c2ccccc2C#N)c2ccccc2Cl)c1	741605910	NJPIITQMYGXNSD-XWDDPXMASA-N	402.881	5.139	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N=c3cc[nH]cc3)cc2)cc1	746125182	CQPNYXIKDYMLJV-VWLOTQADSA-N	404.473	5.155	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746436185	FFNBEKMLTROHCQ-BZNIZROVSA-N	417.305	5.191	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)O[C@H](c3ccccn3)C(F)(F)F)cc2)cc1	747359508	YPAPBQFMODEMMT-HXUWFJFHSA-N	412.367	5.400	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Cc3c(F)ccc(F)c3C2=O)cs1	749582896	RENJYSFBNUHMJT-ZROIWOOFSA-N	410.445	5.237	30	20	HKED	
C[C@@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756243718	MKRADXSZCUIKED-IFXJQAMLSA-N	421.522	5.426	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1Cl)c1ccccc1	760430452	ROOBKLYANJEVGQ-KRWDZBQOSA-N	419.912	5.597	30	20	HKED	
COc1ccc(-c2cc(C(=O)N(C)c3ccccc3C#N)c3ccccc3n2)cc1OC	764391244	FFAZBBUAOAPDTM-UHFFFAOYSA-N	423.472	5.067	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)oc4ccccc34)n2)cc1	767960236	YNALZQRIRQRULN-LJQANCHMSA-N	402.475	5.292	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1cccs1	768414448	HKOLYRGJUJBTQW-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3cn(C)c4ccccc34)n2)cc1	774007127	RJNDMDGQGPEVES-HNAYVOBHSA-N	415.518	5.290	30	20	HKED	
CSc1cccc([C@@H](NC(=O)Cc2ccccc2CC#N)c2ccc(F)c(F)c2)c1	776964847	RCLZYNPFBOPYJV-XMMPIXPASA-N	422.500	5.201	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1cccc(NC(=O)c2ccccc2Cl)c1	779991823	GGVDNCRCJWBIGK-INIZCTEOSA-N	405.885	5.495	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1	780176991	OBUABWAIQGGJMK-GOSISDBHSA-N	408.461	5.082	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1)c1nc(-c2ccncc2)cs1	780330667	YPPGMITZBAQEPG-OAQYLSRUSA-N	411.486	5.127	30	20	HKED	
C[C@@H](NCc1cccc(SC(=O)N(C)C)c1)c1ccc(-c2cccc(C#N)c2)cc1	782525581	ZTSVJBWMHHQNHZ-GOSISDBHSA-N	415.562	5.850	30	20	HKED	
C#C[C@@H](CCC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	791742951	XZMSGBZPFLINJD-XUJKWMDPSA-N	409.414	5.027	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2cnc3ccccc3n2)n1	792106000	ZORVZLMIGLBVOE-KRWDZBQOSA-N	416.531	5.177	30	20	HKED	
COc1cc(C=NOCc2nc(-c3ccc(C)cc3)cs2)ccc1OC(F)F	795197430	QFOOKYYMRYUADD-UHFFFAOYSA-N	404.438	5.279	30	20	HKED	
C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccccc1-c1ccccc1	796043001	MWGOSVMTDULHHZ-SFHVURJKSA-N	412.489	5.339	30	20	HKED	
COc1cc(OC)cc(Oc2cccc(CNCc3ccc(O[C@@H](C)C#N)cc3)c2)c1	796440731	BZUCITJBJPKVKY-SFHVURJKSA-N	418.493	5.077	30	20	HKED	
N#C[C@H](C(=O)Cc1csc2ccc(Br)cc12)c1nccc2ccccc12	796901968	YEZDNQAOHSPVGO-GOSISDBHSA-N	421.319	5.631	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)Cc2cccc(C(F)(F)F)c2)ccc1OC	798930492	RPDHACMDNOLXIY-HNAYVOBHSA-N	406.448	5.116	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCCC1(C#N)CCOCC1	800126769	KKORCKCMZSGHRY-UHFFFAOYSA-N	423.296	5.214	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C2SCCCS2)cc1	804561245	XZZCASNXHYKVJE-UHFFFAOYSA-N	415.628	5.551	30	20	HKED	
COc1ccccc1CN(OC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	810171323	WLXIMRILEMWPNL-UHFFFAOYSA-N	417.465	5.263	30	20	HKED	
COCc1ccccc1/C=C(\C)C=Nn1cnnc1SCc1ccc(Cl)cc1	814216359	JJXDTSFCEXVNMA-GKSIQYFYSA-N	412.946	5.308	30	20	HKED	
O=C(c1ccc(C2SCCS2)cc1)N1CCCSC1=Nc1ccccc1	871596413	WJAYXVMOQBRDMI-UHFFFAOYSA-N	400.594	5.432	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915353820	XUVXWVZFEDRBJF-RPBOFIJWSA-N	411.505	5.720	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccncc2)ccc1OCCOc1ccccc1Cl	916136306	LFFCTSVWRUWXMD-VURMDHGXSA-N	409.869	5.098	30	20	HKED	
N#CCOc1cccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1	916411139	QXCDOUBUYALXGK-UHFFFAOYSA-N	411.697	6.016	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2n1	916848478	KSWIRHXEEOHORY-HSZRJFAPSA-N	404.469	5.741	30	20	HKED	
N#C[C@H](C(=O)/C=C/Sc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	916904330	AINXMJJMENGRCF-UHPIZROJSA-N	414.486	5.432	30	20	HKED	
CC(C)(C)c1ccc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928794	UOMIJNVNHIKCSS-KOJMWDNASA-N	415.320	5.652	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1C1CCCCC1	916939644	PVFXPMQPHKORTF-GOSISDBHSA-N	415.896	5.364	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Cl)cc2)CCCC1)c1nc2ccccc2n1C(F)F	917039566	AKJKFCXCUYHLPL-INIZCTEOSA-N	413.855	5.773	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)Nc4cccc(OCC#N)c4)CC3)c[nH]c12	918037890	AVJKDXPLXYXLDE-UHFFFAOYSA-N	402.498	5.044	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccc4OC)CCC3)cc2)C1	1785808012	DTZTYUWGQRJDKW-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCCCC4)CCC3)cc2)cc1	1790706259	UGCAFMULOKDRFZ-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)CC1	1823687697	LSJROAZBKUTGEW-PMACEKPBSA-N	424.576	5.034	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CC=C)C(=C)C)CC1	1828824990	QXAFOSPRUGADJA-BJKOFHAPSA-N	412.618	5.143	30	20	HKED	
N#Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1	1875251737	KUFFXMVSBHVUKA-JOCHJYFZSA-N	402.295	5.676	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccccc1	9448854	GETAFACIIXVZSV-UHFFFAOYSA-N	420.563	5.556	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(C)c2)cc1	11268264	QPTSJPWXUPZTPP-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2cccc(C)c2)cc1	22729103	STEDRVAWRNCFRG-UHFFFAOYSA-O	405.543	5.041	30	20	HKED	
CN(Cc1ccc(Br)s1)C(=O)c1ccccc1-c1ccccc1C#N	24396781	NSMPMGJQIAGEIE-UHFFFAOYSA-N	411.324	5.321	30	20	HKED	
CCOc1ccc(CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	55993827	XHILHELOKPUKFN-UHFFFAOYSA-N	401.466	5.024	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	58383880	DPRRHTGKUNAOGG-AWEZNQCLSA-N	421.324	5.203	30	20	HKED	
C=CCc1cc(CNC(=O)c2oc3ccccc3c2COC(C)C)cc(OC)c1OC	65064533	JDGMSKGIAGELCS-UHFFFAOYSA-N	423.509	5.034	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)cc2)cc1OC	78497382	IRQYSYKMOBQAEY-UHFFFAOYSA-N	402.494	5.167	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)c(Br)cc1O	214136328	GJVGVRNBNFXYFE-SREVYHEPSA-N	410.333	5.122	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccccc1OC	255933609	MOQHGHHLOOVGOQ-CQSZACIVSA-N	413.930	5.157	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)oc2c1ccc1ccccc12	303303610	DETIFCPQHPNUGN-OAHLLOKOSA-N	400.503	6.541	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1cccc2[nH]ccc12)c1ccc(-c2cccc(C#N)c2)cc1	426133151	HFVAVSIETPIGPR-GOSISDBHSA-N	408.505	5.609	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2c1	430597792	ATLUKADVLDDWRH-KRWDZBQOSA-N	405.523	5.365	30	20	HKED	
Cn1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c(-c2ccc(Cl)s2)n1	430602584	WMCDGLFZMRAYLP-SNVBAGLBSA-N	404.948	5.046	30	20	HKED	
N#CCCC[C@@H](NCc1ncc(-c2ccc(Br)cc2)o1)c1ccccc1	433029661	CDOQJUYKJCRXSY-LJQANCHMSA-N	410.315	5.629	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCc2sc(Cl)cc21	433148260	QRFSPZQLGLHDMK-TZMCWYRMSA-N	405.976	5.995	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1	437912835	SPQHNPAXCUPJRC-HNNXBMFYSA-N	415.459	6.264	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](CCCc3ccccc3)c3ccccc3)o2)cc1	438769834	IDHMLQIESRPWFL-XMMPIXPASA-N	408.505	5.462	30	20	HKED	
CCCc1c(NC(=O)Nc2cccc(SC)c2C)cnn1-c1cccc(C#N)c1	439675557	RVXCWPZIUWXKEK-UHFFFAOYSA-N	405.527	5.371	30	20	HKED	
O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	448458876	JWXNJCBRQIEQFH-RFXNHDQESA-N	423.372	5.536	30	20	HKED	
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(C(C)C)cc1	460368169	FKKNEYROQPRMCD-SIKLNZKXSA-N	412.578	5.043	30	20	HKED	
CCCOc1cc(C)ccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	465450990	FLVSIXZFJYZRSV-UHFFFAOYSA-N	416.525	5.430	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c2)n1	470776743	MADUCHDUMODJAR-UHFFFAOYSA-N	408.461	5.826	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	470831919	OJANQHDYFDVXOH-OFNKIYASSA-N	424.891	5.188	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	475583212	WEBVOWBGROKNLX-UHFFFAOYSA-N	418.541	5.317	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C	476172608	ZDBQDEIRJJLOQF-NRFANRHFSA-N	412.961	5.585	30	20	HKED	
C=C(C)Cn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1ccncc1	481364138	OPNRZAQUXHOXIK-UHFFFAOYSA-N	411.581	5.394	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C	482791112	RKWDGNPCKOLZBA-CQSZACIVSA-N	408.889	5.732	30	20	HKED	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	483321530	KIOZMPOBPOQLDF-UHFFFAOYSA-N	415.449	5.310	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc(C)nc21	486557105	FWHNRJMECLFIKZ-KNEUKCCGSA-N	419.573	5.035	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)N(CCC#N)Cc1ccco1	492255853	ZHISPGJRXGORSA-UHFFFAOYSA-N	423.494	5.051	30	20	HKED	
N#CCc1cccc(C(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)c1	501783248	YHFVIWZZCVCWPJ-UHFFFAOYSA-N	401.466	5.348	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12	502574755	CCUXWLZNLAXKIR-UHFFFAOYSA-N	415.468	5.442	30	20	HKED	
C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](c2ccccc2)O1	502779367	QPXORYNTZPHBCC-AVRDEDQJSA-N	414.530	5.312	30	20	HKED	
N#Cc1c(NC(=O)c2ccc([C@H]3CCCOC3)cc2)sc2c1-c1ccccc1CC2	504078042	QKPVCHZIEBZGKE-IBGZPJMESA-N	414.530	5.532	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1	505011511	WNHQFDUACXOLIV-UHFFFAOYSA-N	400.526	5.446	30	20	HKED	
N#C[C@@H](NC(=O)c1occc1CSc1ccccc1)c1cccc(C(F)(F)F)c1	505950216	ZDSPKDPKTBINAG-GOSISDBHSA-N	416.424	5.585	30	20	HKED	
CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21	508255578	DDARBYUHEJFEQZ-MRXNPFEDSA-N	402.317	5.022	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc(C2(c3cccc(C#N)c3)CC2)n1	508675556	AMCGBVVPPUWLOT-HXUWFJFHSA-N	407.901	5.233	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccccc1-c1ccccc1C#N	512752763	RAQUPQVLOXXJAO-UHFFFAOYSA-N	407.448	5.987	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCC3)cc1	517596287	RIMZJGHMEVRKQZ-IBGZPJMESA-N	422.485	5.029	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	518753143	JKRRETJHQCTEEO-CVEARBPZSA-N	413.543	5.371	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(Oc3ccc(C#N)cc3)c1)CCC2	518921326	RWPRZMVWICBBAU-OAQYLSRUSA-N	403.507	5.265	30	20	HKED	
C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519052339	RJKNYFJRRMNYEH-QGZVFWFLSA-N	401.466	5.199	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)c1cccc(C(F)(F)F)c1	520357756	KZJKLLLLBOBQKZ-FQEVSTJZSA-N	414.814	6.020	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1F	521723799	YNFJVOAQIFRILF-KGLIPLIRSA-N	406.523	5.649	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	524661770	DYLYFLREQJSQPI-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1cccc([N+](=O)[O-])c1	534153414	JZDIXUPLBCDTFY-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
Cc1nnc(N(CCC(C)C)C(=O)CSCc2ccc(C#N)cc2)c2ccccc12	536793076	UXEBCPXCIQNOIG-UHFFFAOYSA-N	418.566	5.122	30	20	HKED	
COc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Br	537303215	DHHGTAIMNMLADZ-MWTRTKDXSA-N	421.338	5.770	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cccc(OCCCC#N)c1	538676313	UQDMSRYUVNBFTD-UHFFFAOYSA-N	413.449	5.332	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	542960700	CJOPOKWIPXLGAX-UHFFFAOYSA-N	420.325	5.166	30	20	HKED	
N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccccc2)CC1	549510804	OVLWXOIZHZRLLI-UHFFFAOYSA-N	423.973	5.012	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@](C)(C#N)C4CCCCC4)cc3)o2)c1	582076103	BRILGVKOHQOFCM-RUZDIDTESA-N	414.509	5.304	30	20	HKED	
Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)CCCC(=O)Nc1ccccc1C#N	588839100	MSZGQKPFLKWZCD-HXUWFJFHSA-N	405.542	5.221	30	20	HKED	
Cc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1Oc1ncccc1Br	600852802	PYPNRYSUTIAINY-OAHLLOKOSA-N	408.299	5.990	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(=Cc2cccc(F)c2)CC1	601186463	TWFHTAAGIGPUMU-UHFFFAOYSA-N	411.480	5.332	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(CCc2ccccc2)C2CCCC2)o1	603955443	XFGFZPBTUZVYFA-UHFFFAOYSA-N	414.505	5.358	30	20	HKED	
CCCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](C)c1ccc(C)o1	603956053	YEXRWAOWFPZZBF-GOSISDBHSA-N	406.482	5.635	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCOc2ccccc2-c2ccccc2)c1	603972020	BXDTUNGCIJKRHT-UHFFFAOYSA-N	400.478	5.444	30	20	HKED	
COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2C2CCCCC2)cc1	603982753	GCCOLRWYUYFSJZ-JOCHJYFZSA-N	418.566	5.686	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc2ccccc2n1C(F)F	606144881	FPTJDDYAHWGYIS-AWEZNQCLSA-N	410.405	5.170	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)n1	608808571	ZEMDMJIFMJRZIQ-UHFFFAOYSA-N	408.552	5.041	30	20	HKED	
Cc1cn(-c2ccccc2)nc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	609311390	VAIMDCAELWZRJY-UHFFFAOYSA-N	424.529	5.597	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)o1	609507840	BIQNTXWMUYHEGQ-SFHVURJKSA-N	406.869	5.013	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(OCc4cccnc4)c3)c2)cc1	609991652	XSAHNAIYHVFGCS-UHFFFAOYSA-N	420.472	5.528	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	610530700	XOAUYHUWDGEWJD-IERDGZPVSA-N	404.901	5.316	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)C1	612233776	URVLNLJEFBZLCD-QHCPKHFHSA-N	408.885	5.431	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)cn1)c1nc2cc(C(F)(F)F)ccc2s1	613405305	XJQBXHCTSMPUIP-SNVBAGLBSA-N	415.318	5.219	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3nc(Cc4cccc(F)c4)no3)c2)cc1	618648797	NYWZGFFOYLCTKJ-UHFFFAOYSA-N	400.413	5.076	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2ccc(C)cc2)c1	726574047	ZFWOWNGDTHUZMQ-UHFFFAOYSA-O	413.566	5.512	30	20	HKED	
CC(=NOCc1nc(-c2ccsc2)oc1C)c1nc2ccccc2n1C(F)F	726786793	BNLLEGGROQVTCS-UHFFFAOYSA-N	402.426	5.397	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)Nc2ccc(OC(F)F)cc2)c1	728227353	HSLYUIHWCNXJOK-UHFFFAOYSA-N	408.473	5.673	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1	728298124	AXNQGYWVSALUKV-GOSISDBHSA-N	417.484	5.332	30	20	HKED	
N#Cc1c(NC(=O)c2cc(F)c(Cl)nc2Cl)sc2c1-c1ccccc1CC2	728814798	SQOWAFWBSZCLSB-UHFFFAOYSA-N	418.280	5.479	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	731399400	ALAOYRJYYRZKPA-IBGZPJMESA-N	422.598	5.735	30	20	HKED	
COCCOc1cccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)c1	731936575	BDRKJJVACJJZOY-DTQAZKPQSA-N	409.482	5.187	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(OCc2ccccc2Cl)cc1)c1ccc(C#N)cc1	739991660	YWHCIWCCCSPREU-QFIPXVFZSA-N	406.869	5.117	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(Br)cc3F)c2)s1	740011223	LCBGOOHKCLROAZ-UHFFFAOYSA-N	401.304	5.478	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1	743125855	YETNFUASKZCEGN-HZPDHXFCSA-N	408.502	5.027	30	20	HKED	
C[C@H](Nc1ccc(OC2CCCC2)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1	743483850	HYPZFQDVIDBTMO-INIZCTEOSA-N	413.468	5.033	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1C(F)(F)F	744118927	NVLXSFPXJXXHJD-FZMZJTMJSA-N	406.404	5.824	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746436181	FFNBEKMLTROHCQ-BDJLRTHQSA-N	417.305	5.191	30	20	HKED	
CN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1c2ccccc2-c2ccccc21	747968347	CKMSFVFYNQCYRB-HXUWFJFHSA-N	409.514	5.174	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)ccc1OC	749390533	PPOAUVGSEBUWIU-SIKLNZKXSA-N	414.933	5.086	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1ccc2ccccc2n1	750679606	CPKTUHLNTKKBJO-KBXCAEBGSA-N	417.921	5.793	30	20	HKED	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	752214565	VGDRYEJSPDMNNX-MGPUTAFESA-N	407.495	5.046	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)nc1Cl	752999103	GLIZQHRGVKWLSY-UHFFFAOYSA-N	409.685	5.289	30	20	HKED	
Cc1cc(Br)ccc1C=Nn1cnnc1SCc1ccc(Cl)cc1	759197871	WVNIHAYGZDGYHP-UHFFFAOYSA-N	421.751	5.177	30	20	HKED	
CCCOc1cccc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	762993599	BZQVARZYRBKODS-INIZCTEOSA-N	418.440	5.523	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c(F)c2)cs1	765612324	GCZPUAKGFFOWJE-POHAHGRESA-N	414.889	5.825	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1ccc(C(C)(C)C)cc1	767666191	CKDFQCZVFCYDGJ-QGZVFWFLSA-N	424.566	5.103	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2c1	775482176	UKOCVPHOOFTVOT-UHFFFAOYSA-N	419.893	5.749	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccccc1	777290237	FKSQZFANUMTYJT-DENIHFKCSA-N	415.493	5.067	30	20	HKED	
C#CCCCCCC(=O)N(CC)[C@@H](c1ccc(Br)cc1)c1cccnc1	779935812	JMPUTNROUYARDA-QFIPXVFZSA-N	413.359	5.366	30	20	HKED	
C[C@](O)(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	780892846	ORWYAQHAQAAMLK-URXFXBBRSA-N	404.897	5.232	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1	783599748	HERGHMUUHREPSI-UHFFFAOYSA-N	412.474	5.290	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	784054669	DMOCJANOZUNHDE-IBGZPJMESA-N	405.841	5.464	30	20	HKED	
Cc1nc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)s1	786312009	FMCVLYWGTNFETI-ZDUSSCGKSA-N	422.362	5.609	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(C4CC4)cnc3Cl)cc2F)c1	793394215	DNABTWWZNLKWIR-UHFFFAOYSA-N	421.859	5.454	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	794127041	ROOOIRRPQVRFLG-UHFFFAOYSA-N	401.413	5.076	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1sc2ccc(C#N)cc2c1C	796624865	URULPXSGJBUTKJ-OAHLLOKOSA-N	420.534	5.390	30	20	HKED	
C=CC[C@H](OC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Cl)c(Cl)c1	797553471	IPQCSWCJFFOWGK-IBGZPJMESA-N	422.308	5.299	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1	798065561	WGPLITQCKFCHGC-OXFYSEKESA-N	418.324	5.030	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ccccc3Cl)n2)cc1	810549746	OQQXCDRKEZAJFZ-GOSISDBHSA-N	410.926	5.671	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@@H](C#N)c1nccc3ccccc13)oc1ccccc12	812454453	HPVPMWUWJCXUOG-IBGZPJMESA-N	407.429	5.389	30	20	HKED	
Fc1ccc(-c2csc3ncnc(NN=C4CCO[C@@H](C(F)(F)F)C4)c23)cc1	814765802	TVIIJEGDTBELDL-CQSZACIVSA-N	410.396	5.007	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(Cl)c(Cl)c1	914520748	OOBNKWBJSKQPGB-UHFFFAOYSA-N	414.267	5.555	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccccc1OCc1ccncc1	914693417	VDNDGZNHVVMNEM-UHFFFAOYSA-N	416.359	5.034	30	20	HKED	
FC(F)Oc1ccccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl	916276647	FGSYRBJBDAEYSI-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1	916681503	RYVVBQUNVNSTCK-DEOSSOPVSA-N	415.924	6.192	30	20	HKED	
C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(OCc2ccccn2)c1	917559987	ZGTWJZQHUFTWAI-KPQXCZDLSA-N	411.845	5.108	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2sccc2s1	918486607	DGFHWIGTIFDHPG-NSHDSACASA-N	408.476	5.239	30	20	HKED	
N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CCCC4)CCC3)cc2)c1	1790258955	XXOVIEGVZFXWQD-NTEUORMPSA-N	413.521	5.052	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2F)CC1	1824728262	MQEDFMBJPHEQEA-LJQANCHMSA-N	420.594	5.113	30	20	HKED	
Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(O)c2)c1C	10167842	MBUNQDCMNGLEQN-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccccc1)c1ccc(Cl)cc1	20834478	FCPPAHVHJNRVNR-UHFFFAOYSA-O	402.326	5.332	30	20	HKED	
C=CCN/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(C(CC)CC)cc1	22688004	FPCFORGWMRDWTN-UHFFFAOYSA-O	401.621	5.270	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc3c(c2)CCCC3)s1	22730104	ILWOEDDQFUGNLI-UHFFFAOYSA-O	407.584	5.274	30	20	HKED	
CCCn1c(SCC(=O)Nc2sccc2C#N)nc2ccc(C(F)(F)F)cc21	23475866	CRQBXQVXGTZLPJ-UHFFFAOYSA-N	424.473	5.129	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cc(C)cc(C)c3)o2)cc1	26497662	IOJRMGYBUSAVER-GOSISDBHSA-N	420.538	5.089	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1	48853137	QYMJDNXDPUPPKN-QFIPXVFZSA-N	419.509	5.889	30	20	HKED	
N#Cc1ccccc1OCC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl	107810457	VSVPYPLJVRTUTO-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1	108398979	TVKKYSMOZSYBKJ-UHFFFAOYSA-N	421.551	5.489	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(Br)cc1	303295524	LPFCTEIWKUFZJW-UHFFFAOYSA-N	423.335	5.402	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1cccc(OC(F)F)c1	303596357	JBZLNISJOPPGAL-INIZCTEOSA-N	422.431	5.230	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1	426253310	SBHBSHFIMZQCHW-LSDHHAIUSA-N	405.258	5.193	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(COCCc3ccccc3)c2)c1	429849195	HJKQKMRVGUJWAB-UHFFFAOYSA-N	402.519	5.314	30	20	HKED	
COCc1nc2cc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)ccc2o1	430772649	CKCDDJNFGGCPJS-UHFFFAOYSA-N	415.474	5.249	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1	431701690	HFDOBCCXYYQZAP-NRFANRHFSA-N	414.509	6.014	30	20	HKED	
CC(C)(c1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1)C(F)(F)F	432342028	FJDCQHLGQYLBQS-UHFFFAOYSA-N	407.461	5.193	30	20	HKED	
CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	435607387	OUKWCNWILBWUAC-QFIPXVFZSA-N	415.493	5.156	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	438245235	HXJVVBHUPOVBDW-KYJSFNMBSA-N	419.978	5.113	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1	438772899	LHTAKHXFULKHMD-AWEZNQCLSA-N	412.415	5.353	30	20	HKED	
CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1	439291743	CEVBAUQTRFPWKN-JOCHJYFZSA-N	406.530	5.115	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)c(C)c2)n1	439374126	VHJCOJNQVVWSBU-HXUWFJFHSA-N	422.579	6.078	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)c(F)c3)n2)cc1	439648080	QKHPQRQPMXIBOV-AWEZNQCLSA-N	415.371	5.330	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1	442082185	QIERUUVZNNTNDP-QGZVFWFLSA-N	415.518	5.297	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)CCCCCc2cccs2)c1C#N	445562653	FOSSFWSUFUGKJL-UHFFFAOYSA-N	410.568	5.269	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)c2)cc1	462244534	HCHLSIKTWFGYOG-XUZZJYLKSA-N	413.477	5.392	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OC2CCC2)cc1	463486323	YYIQCPWUTIAQJG-UHFFFAOYSA-N	412.489	5.629	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(CC(F)(F)F)c2)c1	464419683	WPDSHCBGNHXLHP-UHFFFAOYSA-N	400.356	5.087	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cn1	467075008	XOIDAWJMJGYMPQ-KRWDZBQOSA-N	401.775	5.306	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCOCC1	470025807	ALGNMBMRYILOBF-RBBKRZOGSA-N	411.933	5.322	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)C3(c4cccs4)CCCCC3)ccc21	470856841	ZONPFVLANQTNCN-UHFFFAOYSA-N	421.566	5.172	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1OC)C[C@H]1CCCO1	475545345	JHCWOZRBHAUCCY-JOCHJYFZSA-N	422.569	5.760	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C	475563117	PZXUXQISACMXKQ-UHFFFAOYSA-N	407.558	5.566	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSC[C@@H](C)c2ccccc2)n(Cc2ccco2)c1C	475864707	BJZKTCVOLBVKOC-MRXNPFEDSA-N	407.539	5.093	30	20	HKED	
Cn1cc(-c2cc(F)ccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cn1	477684920	APVBWCXIWFQYCU-UHFFFAOYSA-N	411.440	5.094	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2Br)cc1	478737177	FDVZVEJZMBBGCH-UHFFFAOYSA-N	423.698	5.054	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1	479519157	SNUMQJNNEVHYDM-QFIPXVFZSA-N	418.493	5.062	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc1	479899939	KEQDVOMEJKPOOA-UHFFFAOYSA-N	417.431	5.094	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(Cl)cc2C#N)ccc1OCc1ccncc1	480875287	FHEVDJKEHAOWPO-MRXNPFEDSA-N	407.901	5.045	30	20	HKED	
Cc1oc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2c1C	481388929	GANZHEGCSKQIBB-UHFFFAOYSA-N	407.445	5.136	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1c[nH]c2cc(Br)ccc12	481802771	DNERQPUNZWYHJN-UHFFFAOYSA-N	414.328	5.117	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1cnc2ccccc2n1	483232576	SGIZAGYYQUXZPX-QGZVFWFLSA-N	421.485	5.034	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)cc1	483518820	XMYUITYJYJIDIE-UHFFFAOYSA-N	414.896	5.937	30	20	HKED	
CC(C)(C#N)Cc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	485829344	JZRIRYITYIUHOY-UHFFFAOYSA-N	422.794	5.688	30	20	HKED	
CC(C)c1nc(-c2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n[nH]1	486972303	CIKKYBYUPGFSOQ-UHFFFAOYSA-N	423.476	5.511	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	487951922	CHXYBDNXHAJFGV-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCCCc3nc(-c4ccccc4)no3)o2)cc1	489796407	ZEPDDHHQHWKQLF-UHFFFAOYSA-N	420.494	5.076	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2F)nc1	490240799	IKUROZZAZSFRGU-TZIWHRDSSA-N	416.456	5.317	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC(F)F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	496026681	CZOYHRDPYHZJFY-CYBMUJFWSA-N	422.815	5.694	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C	499896911	SFRNTABJPRBKMQ-VAMGGRTRSA-N	422.598	5.065	30	20	HKED	
N#Cc1ccc(CNc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c(F)c1	500412807	ZPGSMRONJMJVGC-UHFFFAOYSA-N	405.326	5.655	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N(Cc3ccco3)c3ccccc3C#N)cs2)c1	500996402	KIHPFVVQBXSDOC-UHFFFAOYSA-N	413.502	5.359	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NCC2CCCC2)cc1	503224387	INIDQUXCQCDUPC-QGZVFWFLSA-N	408.571	6.184	30	20	HKED	
C[C@H]1C[C@]1(NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	503370713	AMZXJXHJGBZWDG-ZMPRRUGASA-N	413.974	5.055	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccccc3N3CCCCCC3)CC2)cc1	503632911	ZZFRCAIUDOGMGJ-UHFFFAOYSA-N	400.526	5.260	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@H](C#N)c1ccccc1F	505923602	WJCSIYJFFQEQBE-XMMPIXPASA-N	409.464	5.273	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3nccs3)C(F)(F)F)cc2)cc1	507550510	OJZGPLRDCPDMGW-KRWDZBQOSA-N	417.412	5.035	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(CC#N)c1	510030829	WHPONZQUZQPPTJ-UHFFFAOYSA-N	420.534	5.064	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)on1	510045971	QVEAAZLWSFQYND-CTNGQTDRSA-N	420.900	5.661	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cscc3Br)cc2)c1	510842399	OWFLNIUTJJEANG-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511559473	BIIDXFNMFBQMIN-IBGZPJMESA-N	410.411	5.226	30	20	HKED	
CC(C)(C(=O)Nc1ccc(COCc2ccccc2)cc1)c1cc(F)cc(C#N)c1	513447689	OTASJHHGRCYFEP-UHFFFAOYSA-N	402.469	5.330	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	517335230	JZSKPJKZDRSRFV-DNQXCXABSA-N	412.489	5.197	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3	517520352	AUJFSRUNCHRNLM-CVEARBPZSA-N	403.551	5.939	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1	517530466	RNGKPLYWISIKTK-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1	517568029	AHZXGKSVQCPUHR-QGZVFWFLSA-N	404.466	5.008	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	517890840	NNUWZKRGGQLABW-UHFFFAOYSA-N	400.482	5.232	30	20	HKED	
CC[C@H]1CCCC[C@H]1c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1	518408506	QHFKVNFTBDPXMF-DOTOQJQBSA-N	421.501	5.257	30	20	HKED	
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	518753512	QGZLUYHRLYIWBE-IAGOWNOFSA-N	424.570	5.387	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1	520145435	SCLZSSDCIOSPQW-AREMUKBSSA-N	421.500	5.792	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CC1(CC(=O)O)CCCC1	520834003	QEPBDFIFEOTJEF-UHFFFAOYSA-N	414.449	5.075	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N)CCC2	522072415	MFGGTPKRSAHSDV-CXAGYDPISA-N	400.573	5.387	30	20	HKED	
CN(Cc1c(Cl)cccc1Cl)C(=O)c1occc1COc1cccc(C#N)c1	523945495	LGINLEUXQRBPSG-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1	524490829	BRTSBEHZPDMUMP-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1	537950568	CZKWICOHBNBPLP-PXAZEXFGSA-N	409.345	6.111	30	20	HKED	
Cc1cccnc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	541195367	ZNPYCAQBVFUMCQ-CQSZACIVSA-N	416.287	5.821	30	20	HKED	
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	541705051	QDWNKMZTKABJIB-HTAPYJJXSA-N	424.976	5.189	30	20	HKED	
C[C@H](NC1CCN(CCC(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543034424	KQNDXZAJZGEKTR-KRWDZBQOSA-N	401.476	5.293	30	20	HKED	
FC(F)(F)c1cc([C@@H](NC[C@H]2CCCOC2)C(F)(F)F)cc(C(F)(F)F)c1	543052619	NNCCBJSADCNWMG-NOZJJQNGSA-N	409.292	5.344	30	20	HKED	
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1	550826468	GITARGLVXKRZQT-LVXARBLLSA-N	424.548	5.999	30	20	HKED	
Cc1cc(C(=O)NC2CCCCC2)ccc1NCc1cccc(OCCCC#N)c1	551089779	KAFUPWJMFNFFNK-UHFFFAOYSA-N	405.542	5.352	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccco1	553320048	NWXDKHMBLKBKJV-SJLPKXTDSA-N	401.532	5.209	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)c1	567382968	NKUNJLURHUOERZ-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1	573075669	HYDZWZHWORYLSB-NVXWUHKLSA-N	407.436	5.019	30	20	HKED	
C=CCn1cccc1-c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	575215912	FARDFZMWKREKQP-UHFFFAOYSA-N	424.504	5.181	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)CC2)c1	588824709	NDPWKACRTHKQHW-UHFFFAOYSA-N	414.465	5.039	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	591502295	WJSJMNXNEKLFHG-UHFFFAOYSA-N	420.435	5.779	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C	591610618	OVTKDUMCCSTVQU-QGZVFWFLSA-N	409.530	5.716	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2cc(F)ccc2s1	592973347	DMFDGMZWIOJSFB-HNNXBMFYSA-N	421.478	5.239	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)[nH]c12	605363333	UWZVOXSQBZQUEV-FQEVSTJZSA-N	415.880	5.594	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1Br	606757609	GPCAGERPTRBQRX-UHFFFAOYSA-N	400.194	5.285	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)c2ccccc2)cc1	609081522	RPFAYNMDZSPWGU-OAQYLSRUSA-N	423.419	5.079	30	20	HKED	
Cc1cccn2cc(-c3ccc(NC(=O)c4cc5ccccc5n4CC#N)cc3)nc12	609165823	WULFJWABZGKVFC-UHFFFAOYSA-N	405.461	5.040	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	609173069	LAKVWGCZBBGQIO-DVECYGJZSA-N	416.546	5.268	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cccc(Cl)c1	609377837	PIRKZPQMZQWGLA-OAHLLOKOSA-N	424.957	5.592	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(Cl)c1Cl	609795606	CSABUKBARJDIJN-CYBMUJFWSA-N	412.276	5.543	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@H]2[C@H]3C(F)(F)F)cc1Cl	611190944	PUBQUPLDUBRJDE-KKXDTOCCSA-N	406.791	5.027	30	20	HKED	
CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	611338154	DQKNBMWACPBENP-UHFFFAOYSA-N	401.466	5.313	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F	613401618	GWMRIUHNVLYFDN-KRWDZBQOSA-N	403.388	5.714	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)Cc1ccsc1	614681198	ZNVPXJUNZFPLQP-INIZCTEOSA-N	406.511	5.292	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1ccc(C2CC2)cc1	615150972	NTTFBWCEYYMTEH-UHFFFAOYSA-N	411.461	5.114	30	20	HKED	
O=C(CCc1cccc(F)c1F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485608	SDTWYNPKSGFAMM-MRXNPFEDSA-N	411.292	5.336	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1	634698850	ZXOPNQADZRATKT-UHFFFAOYSA-N	407.495	5.132	30	20	HKED	
C=C[C@H](CC(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1)c1ccccc1	677545982	QTRUPWJFIXNADJ-LJQANCHMSA-N	402.563	5.876	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1Cl	677559853	SOXXSZRSOSBXSM-LLVKDONJSA-N	410.804	5.467	30	20	HKED	
O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	683156175	DYCVXEGUQBBSQL-RNFRBKRXSA-N	413.120	5.337	30	20	HKED	
COc1ccccc1/C(C)=C/C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	727628693	WPBSMGUOIBNNGD-BJRSVTDJSA-N	408.910	5.752	30	20	HKED	
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728062575	PAKONGVHNXPHDZ-UXHICEINSA-N	413.521	5.124	30	20	HKED	
COc1cc(/C=C/C(=O)c2csc(C(=O)O)c2)ccc1OCc1ccc(F)cc1	730149475	ISPQNHWGZVYNNY-XBXARRHUSA-N	412.438	5.069	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Cl)c2Cl)ccc1OC	733616025	ORXHAMJDDJSYCL-CYBMUJFWSA-N	408.285	5.005	30	20	HKED	
CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	733621029	GXQYXVVRRNWNFL-HSZRJFAPSA-N	403.913	5.702	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)c1	733773014	LKCLRHUQUDFQCQ-JOCHJYFZSA-N	416.546	5.590	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@H]2c2ccccc2)cc1	734644992	XPHCYKCIVFKNLJ-RPWUZVMVSA-N	413.546	5.664	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1	740535728	NWAPYAFLKBEIMV-HXUWFJFHSA-N	407.901	5.054	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)c2)cc1	741065727	MAFFHHFQLZHPFM-UHFFFAOYSA-N	410.477	5.048	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	744027621	AEBJGKRPJKIHJY-KKUMJFAQSA-N	407.684	5.098	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1	744036788	IHCIWCQAMJRIGK-RXEWJAMOSA-N	412.436	6.109	30	20	HKED	
CCC(=NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1)C1CCOCC1	745201140	MYOCZWGGOMFRSD-UHFFFAOYSA-N	418.541	5.114	30	20	HKED	
Cc1ccc(/C=C2\CN(Cc3ccccn3)C/C(=C\c3ccc(C)s3)C2=O)s1	747316960	HPPGCWDGXHEICK-GDAWTGGTSA-N	406.576	5.373	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	749053533	HSSFKVWCNVGFDV-HNNXBMFYSA-N	418.440	5.521	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)s1	750683339	BMIJKLAJIFXANC-WPRPVWTQSA-N	401.702	5.159	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1OC(F)F	753390602	QUUBITQJHFZIOJ-MLFXKNMZSA-N	408.404	5.073	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1nc(C(F)(F)F)cs1	755902258	BOCYXEOBKPLLRZ-UHFFFAOYSA-N	413.856	5.570	30	20	HKED	
Cc1nc(/C=C\c2nc(Cl)cs2)sc1C(=O)/C=C/c1nc(Cl)cs1	759077152	RLECZPIVDHYQOX-IAROGAJJSA-N	414.364	5.738	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl	759207223	QRBNHSUGDKOKGB-QGZVFWFLSA-N	420.852	5.102	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc2ccccc2nc1Br	760161991	GUBONSREHPVJIA-UHFFFAOYSA-N	423.314	5.311	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)Cc2cccc(OCC#N)c2)C(C)C)s1	760436692	POHSCVSJWYSCIF-UHFFFAOYSA-N	418.562	5.606	30	20	HKED	
C=CCn1c(SCc2cc(Cl)nc(Cl)c2)nnc1-c1cccc(OC)c1	768412152	UUXPCYMMAUQXPG-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN3Cc3ccc(F)cc3)n2)cc1	768781160	NCDOPXGNTDPXNK-RBBKRZOGSA-N	419.525	5.099	30	20	HKED	
N#C[C@@H]1C(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)=CC(=O)n2c1nc1ccccc12	775377979	HBCHLPMAFPQTMT-AUSIDOKSSA-N	416.912	5.008	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Oc3cccc(Oc4cccnc4)c3)cc2)nc1	777342097	SAEJZPLPRHVFMX-UHFFFAOYSA-N	409.401	5.152	30	20	HKED	
C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=S)Nc1ccc(C#N)c(Cl)c1	780209867	MRQIVTGSXXWKME-XIKOKIGWSA-N	406.338	5.024	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F	780677479	WEHWAIIAWMJELR-HFTRVMKXSA-N	417.431	5.454	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CC(C)(C)Cc1ccc(Cl)cc1	783077473	RBULBJCVGHMRIO-GOSISDBHSA-N	412.917	5.045	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccccc2SC(C)(C)C)ccc1OC	788638003	FFGLCPFIVMPBGG-HKUYNNGSSA-N	412.599	6.118	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ncc(C2(O)CCCCC2)s1	789923216	IELGJCJTXWCNEL-UHFFFAOYSA-N	419.506	5.211	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(C(F)(F)F)cnc1Cl	790842990	MRAZRDYQTWIYRD-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc(OCc2noc(C3CC3)n2)cc1	795811524	YWZVGOYJBDRXMS-QFIPXVFZSA-N	400.482	5.277	30	20	HKED	
N#C[C@H](COC(=O)c1coc(C2CCCCC2)n1)Cc1cccc(Br)c1	802229996	UESCSTOGVKOSSO-OAHLLOKOSA-N	417.303	5.024	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2c(F)cccc2SCC)cc1C#N	810330919	SKVUKAMHUSLUKZ-UHFFFAOYSA-N	402.451	5.022	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3ccc(C(F)(F)F)s3)no2)c1C#N	904968901	JAROGUCLXXOAKD-UHFFFAOYSA-N	408.430	5.350	30	20	HKED	
COc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	915656306	NZJAEZKGORSRGQ-FQEVSTJZSA-N	420.896	5.194	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccccc1[C@H](C)CC	916906879	KSUZBMGSHVQVTK-DYESRHJHSA-N	406.526	5.051	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12	916916845	AYVARDLOIMXHBO-JOCHJYFZSA-N	410.498	5.433	30	20	HKED	
Cc1cc(C)cc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917042870	IEHFPFAUXCYSSO-HNNXBMFYSA-N	404.413	5.187	30	20	HKED	
Cc1oc2c(CN(CCC#N)CC(C)C)c(O)ccc2c(=O)c1-c1ccccc1Cl	919944505	GXRJJYIRLVGOHT-UHFFFAOYSA-N	424.928	5.499	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2nc(O)oc2c1	1667788046	ODLRSYACCYKCBP-YWZLYKJASA-N	412.449	5.072	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)Oc3ccccc3)CCC2)cc1	1791253323	BUMIQWYRPLBWCN-VQTJNVASSA-N	420.553	5.190	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)C2)CC1	1809164161	WKROKCBWJOTFHF-FIXSFTCYSA-N	424.629	5.260	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1	1831369201	CGYAAGBGAGAWPJ-PGRDOPGGSA-N	422.569	5.187	30	20	HKED	
Cc1c(Cl)cccc1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccccc1	11258580	BPSDVMIDJDCMLB-UHFFFAOYSA-O	423.989	6.110	30	20	HKED	
N#Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1	18277611	YXLSOSNWLFKZRV-UHFFFAOYSA-N	408.486	5.052	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)s1	22731098	MKRGBIIMHPMGSF-UHFFFAOYSA-O	422.382	5.702	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1CC	26035329	BSCKLCXOEULNFX-UHFFFAOYSA-N	416.597	5.035	30	20	HKED	
CCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OCC	36726086	VFBALKKJFZDIKM-UHFFFAOYSA-N	418.518	5.759	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(C)Cc1ccc(C#N)cc1	45250481	RRJZTILMVZAYSE-UHFFFAOYSA-N	405.501	5.283	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2Cl)cc1	48161403	HBVZQOUFHJMVSI-UHFFFAOYSA-N	405.885	5.307	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1	48738127	SXISFDIIUJVOEH-QGZVFWFLSA-N	413.481	5.393	30	20	HKED	
Cc1ccc(C)c(OCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	49723918	RCXOZMCIRVNWLU-UHFFFAOYSA-N	401.466	5.078	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	109226600	MVGWYCHWPIPCJJ-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
CCc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	146955756	NOLDFLMOQKYSAS-LLVKDONJSA-N	408.335	5.626	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(C(F)(F)F)cc1	195652854	PPWWFBOZVQSUMV-SWLSCSKDSA-N	421.369	5.820	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1	302951755	CFQHQMYNLYVZCR-UHFFFAOYSA-N	401.944	5.507	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	303449670	JEJCFHIFUUEKEA-CVEARBPZSA-N	412.238	5.284	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	303698674	ASCSHQCVGYQKKH-CQSZACIVSA-N	413.361	5.071	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	303884901	RHNNHSDBACZENJ-DYESRHJHSA-N	400.453	5.508	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(C(=O)OCC)cs1	409826860	QVPKLEYSISNOGZ-UHFFFAOYSA-N	416.886	5.066	30	20	HKED	
CC(=O)c1ccc(OCCC(C#N)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	434648283	XXGOQTCHHFAXIH-UHFFFAOYSA-N	400.434	5.076	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CC)C[C@@H]2CCN(Cc3ccccc3)C2)c1	438122429	PGHTVYJOBNKNBI-JOCHJYFZSA-N	407.558	5.017	30	20	HKED	
N#CCC[C@@H](NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1	438836943	HPBQMCOAMLRNBC-GOSISDBHSA-N	416.506	5.401	30	20	HKED	
Cc1oc(C#N)cc1C(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1	439145160	DHIIXVSIMAJUGD-UHFFFAOYSA-N	413.502	5.473	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cccc(OC3CCCC3)c2)c1C#N	445562874	HPCRLZQFCUANQU-UHFFFAOYSA-N	418.522	5.040	30	20	HKED	
C=CCNC(=O)c1ccc(NCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1	446889082	RLLIECBCXOXAIW-UHFFFAOYSA-N	419.912	5.120	30	20	HKED	
COc1ccc(CN2CCn3c(cc4ccc(Cl)cc43)C2)cc1OCCCC#N	447072490	KUSWSLCHCOHZJF-UHFFFAOYSA-N	409.917	5.002	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(-c3cccnc3)cc2)c1	464902172	IXZTZIPIOZKGCB-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
COc1ccc(-c2cncc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1	466345676	GCFVESADPODOOC-INIZCTEOSA-N	403.507	5.404	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(F)c(Cl)c1	468630732	PCYGMZWGVFGUPP-CYBMUJFWSA-N	408.951	5.603	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)cc2)cc1	469071037	RHOVFINNCZSZND-UHFFFAOYSA-N	407.429	5.162	30	20	HKED	
CCC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc([N+](=O)[O-])c1	469146044	CDDJFHHNQIOHBK-OAQYLSRUSA-N	406.486	5.131	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1	469224402	JMBHRPDBRTYXBI-CQSZACIVSA-N	402.325	5.749	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1nnc(-c2cc3ccccc3o2)s1)c1ccccc1	470524814	ACWZIPQCSWABAN-MRXNPFEDSA-N	403.467	5.118	30	20	HKED	
COCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1	475382501	RQKORAIBQUZDKT-YLJYHZDGSA-N	418.459	5.329	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	476369793	ZDPFHSOWIOGBHP-CQSZACIVSA-N	422.381	5.316	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CNc1ccccc1SCCC#N	476395059	DNTMVEFEBANOSD-UHFFFAOYSA-N	408.354	5.070	30	20	HKED	
C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cc2ccccc2o1	476492373	RNOJWTDXLMMRPX-PBPGXSGUSA-N	403.482	5.055	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)NCC#Cc2ccccc2)nc1-c1ccccc1	481074742	RSNIMNYHEKERNX-QFIPXVFZSA-N	413.521	5.363	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1	481540003	FRPCEVDPGVYLQH-MSOLQXFVSA-N	423.929	5.162	30	20	HKED	
C=C(C)[C@@H](N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)c(F)c1	481630434	WNLZSYAMJFKWMR-ADLMAVQZSA-N	424.278	6.290	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482379038	BVFCTHKROCNPLB-JDNHERCYSA-N	408.317	5.249	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	484193068	UUCIXYVJNLSTGF-ZDUSSCGKSA-N	408.889	5.476	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)no1	487298911	NVEKVLWRFHATTF-OAQYLSRUSA-N	416.525	5.490	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC4(CCC4)C3)s2)c(C(F)(F)F)c1	496342677	JFSUQRLUFJLBBD-UHFFFAOYSA-N	420.460	5.032	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CC#N)c3ccccc3)c3cnn(C(C)C)c3n2)cc1	497354199	CKWXEOLCJVPCJR-UHFFFAOYSA-N	409.493	5.158	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccc(Cl)c2)nnc1[C@@H]1COc2ccccc2O1	497670256	DVEJAFRHYVDQDS-LIRRHRJNSA-N	413.930	5.483	30	20	HKED	
N#Cc1ccsc1C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F	497987595	XZMFQJSWNDDSIM-QGZVFWFLSA-N	415.287	5.041	30	20	HKED	
Cc1c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)sc2ccc(C#N)cc12	501456699	GWHYNJFRIBQPCD-UHFFFAOYSA-N	415.440	5.212	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCc3c(Cl)cccc32)cc1C	501727422	RAZSUPQDVAUHDC-JOCHJYFZSA-N	418.928	5.151	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	502238406	XHCXDKPUYCQJHB-NRFANRHFSA-N	418.884	5.598	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(C)cc(C)cc1C	502651121	ZAURHHFEWSWHOH-UHFFFAOYSA-N	405.311	5.734	30	20	HKED	
N#Cc1c(NC(=O)COc2ccccc2OCc2ccccc2)sc2c1CCCC2	503153539	XRWVRYGUYFAKKU-UHFFFAOYSA-N	418.518	5.095	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(N4CCCCCC4)c3)CC2)cc1	503473613	WNBQDTCJXPZLHT-UHFFFAOYSA-N	400.526	5.260	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	506717302	HLOMINVALDJUOY-UHFFFAOYSA-N	414.509	5.169	30	20	HKED	
Cc1cccc(OCCN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	510647608	JJTGZDRUQFBRQT-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1	511955918	HIBGSRLSRPCLLO-ROUUACIJSA-N	404.407	5.518	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3cccc(Nc4ccccc4)c3)CC2)c(F)c1	512692657	GTUIZPVKLZVEBX-UHFFFAOYSA-N	414.484	5.296	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSC2CCCCC2)n1	513670716	APHCCUSXCQRXGX-KRWDZBQOSA-N	410.564	6.254	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(CCC#N)Cc1ccco1	514212423	DRCOPOCKVPSAPB-UHFFFAOYSA-N	404.253	5.106	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)c(C)c1	518239439	CZCPTAFPQXVBAM-SFHVURJKSA-N	420.534	6.122	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(F)cc1	519434396	YXRUNONOLIQRDJ-MRXNPFEDSA-N	422.529	5.639	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1	519515481	KAHUTUJXBWTJRW-INIZCTEOSA-N	420.538	5.077	30	20	HKED	
N#CCc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)cc1	520635563	DEZJFNJVCNCIEK-UHFFFAOYSA-N	416.477	6.183	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1ccc(F)cc1	524389190	VVZSGLHWQJMQBL-UHFFFAOYSA-N	406.482	5.316	30	20	HKED	
C[C@H]1CSc2ccccc2N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	533147180	BCOXCVBJMUARDE-MRXNPFEDSA-N	404.491	5.119	30	20	HKED	
COc1ccccc1[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccco1	533186758	SCRZEZJPKDSLTJ-HHHXNRCGSA-N	424.500	5.618	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1C1CC1	535694646	CMMADJOPCITPMC-KRWDZBQOSA-N	414.509	5.434	30	20	HKED	
COc1ccc([C@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Br	537303216	DHHGTAIMNMLADZ-QMHKHESXSA-N	421.338	5.770	30	20	HKED	
COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)ccc1OCc1ccccc1	537404815	LWOCEIXEKMDWOF-MSOLQXFVSA-N	404.485	5.697	30	20	HKED	
N#Cc1cc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)ccc1Cl	538683861	AZBQRCZOGXIXKL-HHHXNRCGSA-N	400.931	5.045	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)cc1	540127713	IGWOJJDXLFARDB-ZDUSSCGKSA-N	418.324	5.060	30	20	HKED	
N#CCc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1	544070311	QXVDPEBAADZEFM-FQEVSTJZSA-N	402.325	5.053	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cnn1-c1ccccn1	548310834	PNHMVZZDHJJBGS-UHFFFAOYSA-N	423.476	5.307	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1ncc(-c2cccc(Cl)c2)o1	558755254	LUEWXHSUIDKZEV-UHFFFAOYSA-N	410.260	5.192	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)c1ccccc1	561662427	SXOTZBRFCOOTKL-OAQYLSRUSA-N	415.459	5.672	30	20	HKED	
N#CCCn1cc(CNCc2ccc(-c3ccco3)cc2F)c(-c2ccccc2)n1	572331085	RHVLOIXUMHJOPD-UHFFFAOYSA-N	400.457	5.153	30	20	HKED	
N#CCc1cccc(Br)c1OCc1coc(-c2c(F)cccc2F)n1	581636140	KYXXRCFBCRKOJP-UHFFFAOYSA-N	405.198	5.027	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n1	587988794	QYKXDMBYVKTTBM-QGZVFWFLSA-N	422.506	6.119	30	20	HKED	
Cc1cc(C)c(CSCCCC2(C#N)CCOCC2)c(OCc2ccccc2)n1	588920071	QCITXWWACWMWQU-UHFFFAOYSA-N	410.583	5.611	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3ccccc3)cc2)nnc1-c1cccnc1	589273127	BYECUDDJBSJQBM-UHFFFAOYSA-N	414.534	5.397	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3ccccc3s2)cc1	603465024	CMVKXQJUOLFBJD-UHFFFAOYSA-N	401.516	5.713	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1cccc(CC#N)c1	603730772	RGFAMSGYJINOGH-QGZVFWFLSA-N	408.954	5.741	30	20	HKED	
Cc1cc(C)n([C@@H](C)CC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)n1	603737421	HIIGRDQFAHYUBM-IBGZPJMESA-N	404.489	5.004	30	20	HKED	
N#C[C@@H](C(=O)c1coc(-c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1	606754011	PECHMMONOKRAEC-ZDUSSCGKSA-N	413.380	5.460	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2Cl)c1	609062818	HZIKPUHZKOECFQ-UHFFFAOYSA-N	415.880	5.453	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)o1	609183567	ZQAWLGFXYVOLED-UHFFFAOYSA-N	422.431	5.028	30	20	HKED	
CC(C)COc1ccc(C(C)(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	609376101	KPMOJCRVFGUUGR-SFHVURJKSA-N	410.583	5.889	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)cc1	609413982	KLPWNGKBFCYGOH-CQSZACIVSA-N	407.297	5.106	30	20	HKED	
CSCc1c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)oc2ccccc12	609414900	ILQBWIVNQDBHIX-MRXNPFEDSA-N	420.412	5.189	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1ccc(C(=O)Nc2ccccc2)cc1	609431710	FJOXHGPCGUGTAN-GOSISDBHSA-N	401.535	5.945	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccccc3N3CCCC3)cc2)c1	609434273	NYPSUHARWOLWJZ-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1	609645873	UDTPMLGALSBOAT-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cccc(C#N)c1	610361995	NJUTTXHIYIDTAR-HNNXBMFYSA-N	403.463	5.109	30	20	HKED	
COc1cc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F	610714943	SLLXTSDVBWRFJT-YUMQZZPRSA-N	404.282	5.064	30	20	HKED	
N#C[C@H](C(=O)c1occc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	613404486	OESRBEZTDCNHJK-OAHLLOKOSA-N	412.392	6.065	30	20	HKED	
C[C@@H](SCc1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1	619608563	GASASKGNNOWECA-OAHLLOKOSA-N	403.345	5.018	30	20	HKED	
CCN(C(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H](C)c1cccc(C(F)(F)F)c1	619769316	ZUHUSSBEOHAAAU-ZDUSSCGKSA-N	409.839	5.523	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1	623022440	NZGVTLBQVLHGQI-GHMZBOCLSA-N	416.337	5.208	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3sc4cccc(Cl)c4c3Cl)nc12	674300045	XCZNFPLJFJUNBN-VIFPVBQESA-N	401.278	5.278	30	20	HKED	
NC(=NOCc1csc(C2CCCCC2)n1)c1ccc(OCc2cccnc2)cc1	726182931	BZBVRWOUNRSSDE-UHFFFAOYSA-N	422.554	5.002	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl	726957379	DJKNJAQHMKMNEH-VMPITWQZSA-N	409.795	5.088	30	20	HKED	
COc1ccccc1/C(C)=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	727628694	WPBSMGUOIBNNGD-DEQJRXDXSA-N	408.910	5.752	30	20	HKED	
C#CC[C@@H](OC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccccn1	727775574	JURGISCERXJQDP-QGZVFWFLSA-N	416.424	5.454	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1N[C@@H](C)C(=O)Nc1ccccc1C#N	728067113	YBVAGPOEIVOSKD-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
CCc1cc(NN=Cc2c(Cl)ccc(Cl)c2Cl)nc(-c2ccccn2)n1	730463808	RIEAPBFWTJUUMM-UHFFFAOYSA-N	406.704	5.507	30	20	HKED	
CC(C)(C)n1cc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)c(-c2ccccc2Cl)n1	731156624	INXGRUUADRBIAT-SEYXRHQNSA-N	422.912	5.482	30	20	HKED	
N#C[C@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1ccc(Cl)c(Cl)c1	731644837	UXNXHGXYKVBNPQ-QJSCKGPTSA-N	416.695	5.589	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1	733805363	RUYGOANEAMURQG-INIZCTEOSA-N	406.313	5.016	30	20	HKED	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	735742899	KHWSPBYMBHIUQM-MDNUFGMLSA-N	405.542	5.305	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cncc(F)c1	737446639	ZHGKFZBZDVHYNM-DJWKRKHSSA-N	417.190	5.048	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1	739155753	UXRPZJVBBXODOJ-WZONZLPQSA-N	404.554	5.776	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNc1cccc(C(F)(F)F)n1	739421142	FHFPELXTUKHEMG-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
O=C(/C=C/c1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)CC(F)F)cc1	741853224	YVCRGOZDCKJGDM-NTCAYCPXSA-N	412.457	5.289	30	20	HKED	
Fc1ccc(C(CCSc2ccccn2)=NNc2nncc3ccccc23)cc1	746679211	OBTQSPXKIJZDME-UHFFFAOYSA-N	403.486	5.163	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)n1	747197937	OTOUXHUEAXMGGN-INIZCTEOSA-N	418.609	5.390	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	748986056	OABRDXGAVOVZCX-UHFFFAOYSA-N	408.933	5.422	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)CCCc2csc3ccccc23)ccc1OC	755319552	UNMCCTODFJLGFR-IBGZPJMESA-N	422.550	5.230	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)c1	756073959	RYKDIVAHTBTRIW-FUHWJXTLSA-N	414.575	5.159	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Cl)nc2)ccc1OCc1ccc([N+](=O)[O-])cc1	759081529	IAQHCSKLJCSCIH-RUDMXATFSA-N	424.840	5.127	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)Cc2cccc(OCC#N)c2)c2cccs2)cc1	760247180	LUNOFRYAJYHNPW-DEOSSOPVSA-N	404.535	5.222	30	20	HKED	
C#CCCOc1ccc(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1	767190306	KESNQTXAABHIRD-NRFANRHFSA-N	402.563	5.108	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	767218250	DMOPRUUFJWUAED-INIZCTEOSA-N	404.436	5.155	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ncc(-c3ccccc3)s2)cc1	770572449	INFOBSCGWYUDQB-QXMHVHEDSA-N	401.491	5.019	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)ccc1NC(=O)OC(C)(C)C	772226292	OBBXRFSKOITPKG-UHFFFAOYSA-N	409.486	5.253	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3cn(C)c4ccccc34)n2)cc1	774007120	RJNDMDGQGPEVES-BEFAXECRSA-N	415.518	5.290	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3cc(O)ccc3C2=O)cs1	780187044	BVEISEIINFIWBX-ZROIWOOFSA-N	410.882	5.009	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C	782549149	LOKAZXPARARFOU-KRWDZBQOSA-N	412.493	5.375	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)Nc1cccc(OC(F)(F)F)c1	783717537	BOBIORMBZNQBPP-UHFFFAOYSA-N	406.882	5.685	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(CC)Cc2c[nH]c3ccccc23)c1=S	785514077	WQJXXHSFEUIDEW-UHFFFAOYSA-N	418.570	5.013	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc21	787352132	LQBTUXBTCPYTOQ-UHFFFAOYSA-N	423.925	5.390	30	20	HKED	
N#CC1(N(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CCC1	791002302	FHKZZSJYXHFNHM-DJWKRKHSSA-N	402.338	5.175	30	20	HKED	
CCCCCCn1nc(C(=O)[C@H](C#N)c2nccc3ccccc23)c2ccccc2c1=O	792095322	VYKATNFVKFJRDG-JOCHJYFZSA-N	424.504	5.015	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nccc3ccccc23)cc1	792101546	OADBSDCCPWDHPN-OAQYLSRUSA-N	400.478	5.109	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1nc2cc(C(F)(F)F)ccc2s1	796813101	WIVGWAUOPJDDPC-IQJOONFLSA-N	406.351	5.470	30	20	HKED	
C[C@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	798404915	RKKPMQQBRJVUMK-XDTLVQLUSA-N	421.303	5.398	30	20	HKED	
Cc1cccnc1C(F)(F)C(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809325571	AJABTRHJUGYRLZ-CYBMUJFWSA-N	413.264	5.347	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1nc(C#N)cs1	811689847	NGKJCIBOTSEYKN-VOTSOKGWSA-N	416.325	5.105	30	20	HKED	
CN(C)C(=O)Sc1cccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c1	811776981	CESOEBZAQCSFQC-UHFFFAOYSA-N	404.495	5.131	30	20	HKED	
O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)c1cc(C(F)(F)F)ccc1F	816061808	AEACTYLSIMKQKV-ZDUSSCGKSA-N	407.241	5.446	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1	915086443	JQEWFMQZGMFFNA-SANMLTNESA-N	409.533	5.580	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353020	KWFCJSCEWBUDBZ-RUZDIDTESA-N	413.521	5.589	30	20	HKED	
COc1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1O	916157250	FZSAVPMATAAEDH-WZUFQYTHSA-N	407.853	5.203	30	20	HKED	
Cc1nc(SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c2c(C)c(C)sc2n1	916848157	CUJHAPATWYVXTJ-INIZCTEOSA-N	418.547	5.133	30	20	HKED	
Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916975969	HGPBEVBBZXZHPG-GOSISDBHSA-N	410.926	5.807	30	20	HKED	
CCOc1ccc(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917047460	XXOGHSJXRXJSSM-HNNXBMFYSA-N	402.928	5.317	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1c(C)nn(-c2ccc(Br)cc2)c1C	917543353	MEVNBZAKQRAARB-UHFFFAOYSA-N	422.330	5.046	30	20	HKED	
Cn1cc(/C=C\C(=O)c2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1	920062878	AKMUXRYUGVCHKB-WTKPLQERSA-N	402.237	5.198	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	921130685	BIMBGOHIHPCCCQ-UTKZUKDTSA-N	416.452	5.144	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828352592	OIKRUAZBHSPUNI-WXFUMESZSA-N	412.618	5.121	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	32617828	ITOLIZVGBHIHCB-UHFFFAOYSA-N	414.292	5.111	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc12	41545124	ORWBJFFBKYDWEA-INIZCTEOSA-N	416.437	5.166	30	20	HKED	
CCCCc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	47362167	OOMDGWWRBOULRI-QGZVFWFLSA-N	405.523	5.108	30	20	HKED	
C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccccc1Cl	56153517	KNZRXSPLMAZPBC-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
C=CCn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1OC	60383417	MORZEOJJBAUIDB-UHFFFAOYSA-N	411.502	5.034	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COCc2ccco2)c1	63392170	RTVROCXMZRNFAK-UHFFFAOYSA-N	421.453	5.125	30	20	HKED	
C=CCn1c(SCc2ccc(OCC(F)(F)F)cc2)nnc1-c1ccoc1C	71937626	MDUIUJNWWBSVAO-UHFFFAOYSA-N	409.433	5.266	30	20	HKED	
COc1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1OCCCC#N	147198711	AFSJFEHLYXXZPS-RUZDIDTESA-N	404.485	5.396	30	20	HKED	
CC(=NOCC(=O)Nc1c(C)cccc1C(C)C)c1nc2ccccc2n1C(F)F	254845507	DOSKIYXOGRAOHK-UHFFFAOYSA-N	414.456	5.243	30	20	HKED	
CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1C	303635031	RBNJBUQJMSOTQC-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
CCOc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C(C)C)cc1OCC	409513206	LXCKRDZVVJPABP-GAJHUEQPSA-N	409.530	5.113	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430617733	OSCCRTQLWWSDJR-HNNXBMFYSA-N	413.543	5.426	30	20	HKED	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	435097701	HWSFJAXCHSTMMQ-ZHRMCQFGSA-N	403.526	5.517	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)c4cc(-c5cccc(C#N)c5)no4)CC3)c[nH]c12	436436333	ZEODBMJNRZGWIY-UHFFFAOYSA-N	424.504	5.277	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)n1	438132135	QFQHVAZXAWREKY-NHCUHLMSSA-N	415.497	5.164	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	440331114	ZOBIYSQSTISXIA-GHTZIAJQSA-N	421.566	5.082	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	442673362	RDURXZNMATUFLL-OAHLLOKOSA-N	414.328	5.445	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CCCC1(C)C	444842381	ZCDNDYJFIPSSBK-JOCHJYFZSA-N	421.541	5.546	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2CCC(F)(F)F)cc1	465240148	XDTNTEQSBUHIAG-UHFFFAOYSA-N	406.408	5.133	30	20	HKED	
CC(C)n1c(SCCCSCC#N)nnc1-c1ccc(Cl)cc1Cl	466622764	HVCWGMCAIKQVFO-UHFFFAOYSA-N	401.388	5.572	30	20	HKED	
N#C[C@@H]1N(C(=O)c2csc(-c3cccc4ccccc34)n2)CCC[C@]12CCCCO2	468660495	MIDOEZDDUVGMJX-XUZZJYLKSA-N	417.534	5.031	30	20	HKED	
Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1ccc(CC#N)cc1	472021144	ISAYFDRMDJSNDX-UHFFFAOYSA-N	407.258	5.044	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C[C@H](CC#N)c1ccccc1	476335518	STBCSHOELYACQV-RXVVDRJESA-N	403.551	5.726	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1Cl	476507102	GOQLNJGGTWWXNM-OFNKIYASSA-N	415.924	6.017	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@H](C)c1nc2ccccc2s1)c1ccc(F)c(F)c1	477725013	IGCHSOUTUHCGIT-YJYMSZOUSA-N	401.482	5.594	30	20	HKED	
O=C(NC1CCC(F)(F)CC1)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F	482347279	COKJQIXUYSCJBJ-GFCCVEGCSA-N	420.300	5.066	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)oc2ccc(Br)cc12	483235235	NHOHDJCELUCLHV-KRWDZBQOSA-N	405.251	5.542	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	485285442	KLUXQSVXAQDTPF-UHFFFAOYSA-N	417.553	5.932	30	20	HKED	
Cn1c(COc2ccccc2Cl)nnc1SCc1ccccc1C(C)(C)C#N	488021113	DGOMOTZWSJXQNY-UHFFFAOYSA-N	412.946	5.141	30	20	HKED	
O=[S@@](Cc1ccc(OC(F)F)cc1)Cc1cc(F)c(C(F)(F)F)cc1F	488776172	YAIVFXYWIMHGLE-SANMLTNESA-N	400.315	5.034	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	490404903	WMGFFVQDZXELCY-UHFFFAOYSA-N	415.493	5.187	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	497410429	HAPWYIOTJLAYLC-FQEVSTJZSA-N	420.900	5.321	30	20	HKED	
C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cc2ccccc2s1	504474174	AYWBXIPIWMOGSZ-INIZCTEOSA-N	405.523	5.087	30	20	HKED	
CN(C)c1nc2sc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2s1	505430040	WXCQIQPFBBAUNF-VIFPVBQESA-N	418.956	5.177	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(-c2cccs2)n1	507539357	WEBLDEDTSNXBLN-UHFFFAOYSA-N	418.453	5.204	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccncc1C(F)(F)F	510815868	RUYACXCERNLGGH-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1ncc(-c2ccc(Cl)cc2Cl)o1	512294609	KUZHJEFDUDNORV-AWEZNQCLSA-N	416.308	6.504	30	20	HKED	
CC(C)(C)c1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	512958056	AGXSXXMKTDKNEH-CYBMUJFWSA-N	401.944	5.708	30	20	HKED	
CC[C@@H]1C[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	514221703	FYBMVJAZVQHJTI-DZGCQCFKSA-N	400.466	5.245	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	517474244	WZQMHEGJXIXMNO-MGPUTAFESA-N	401.963	6.111	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1	517656388	JTTRDQBBYTXLHK-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccccc4)cn3)n2)cc1	519804445	HXVUFLCURFOAGV-HXUWFJFHSA-N	422.469	5.359	30	20	HKED	
CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1	519967670	UAFZFYTZMSMBEP-UHFFFAOYSA-N	410.926	5.012	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)cc1	520436421	WKRQJWUKOIOANC-XMMPIXPASA-N	417.553	5.487	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[nH]c12	522828667	URCVUHMJVYAHNX-OAQYLSRUSA-N	406.445	5.220	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CC2)ccc1C	523340874	RZTBDRPQLROBFU-UHFFFAOYSA-N	413.477	5.041	30	20	HKED	
COCc1ccccc1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523879407	ISQWLNXWQVNPIO-UHFFFAOYSA-N	406.869	5.080	30	20	HKED	
N#Cc1cc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)nc2ccccc12	524581077	CXEUVMZNRDEAOP-UHFFFAOYSA-N	411.427	5.286	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F	524658385	XLTBOGVAXXERRG-UHFFFAOYSA-N	422.447	5.721	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(N4CCCCCC4)c3)o2)cc1	524866474	NROLXFNOCGLSMR-UHFFFAOYSA-N	415.493	5.363	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ncsc3C2)cc1Cl	526091728	FEPJEFCRIHNEKU-QGZVFWFLSA-N	408.914	5.042	30	20	HKED	
CCC(CC)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C	536071674	YMDSMFHFIWLYTD-SFHVURJKSA-N	403.511	5.038	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1	536834839	YSWNPTIOZBIJTA-YADARESESA-N	424.566	5.116	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccc(C(F)(F)F)cc1	536842278	YSSVULBMJCRZSO-VFNWGFHPSA-N	420.475	6.031	30	20	HKED	
CCCc1ccc([C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2cccs2)cc1	537512095	NFIGFFMUXFBCCE-OAQYLSRUSA-N	407.543	5.030	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(C)o2)nc2scc(-c3cccs3)c2c1=O	537794719	DHYXMSZFURTUJH-GFCCVEGCSA-N	415.565	5.522	30	20	HKED	
Cc1cc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)nn1CCC#N	539715584	ZQPINHZPYQOHRX-ISKFKSNPSA-N	413.525	5.088	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Sc2cccc(Cl)c2C#N)c(Br)c1	540048140	UEEUBVBSUDTYSV-NSHDSACASA-N	409.736	5.402	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)s1	541078253	MBKPLRQIRPIVSI-UHFFFAOYSA-N	405.401	5.417	30	20	HKED	
C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2ccc(Cl)cc2)s1	541702905	AFCPYADUYIUXAM-AWEZNQCLSA-N	420.925	5.841	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC[C@@H]3c3ccc(Br)s3)cc2)CC1	543227477	XZESEAXRANQLLG-OAHLLOKOSA-N	401.329	5.043	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)NCCCC#N	543378507	GTAMAPBZGOOGRQ-YJBOKZPZSA-N	406.917	5.343	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3nc4ccccc4n3C3CC3)cc2)cc1	546783603	IWGYGJINYQBGSP-UHFFFAOYSA-N	422.488	5.160	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H]3CCCCC[C@@H]3c3ccc(Cl)cc3)o2)cc1	551424627	MHDXNNLTFDOKCN-NHCUHLMSSA-N	406.917	5.468	30	20	HKED	
CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1	552497573	QQAZEGMGXYZDNA-IBGZPJMESA-N	417.553	5.210	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2C)c(C)c1C	552956372	UNZTTWOLCXXCLY-UHFFFAOYSA-N	422.488	5.168	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(OC(F)(F)F)cc1Br	555870220	YHPNPHDWWCPRAG-UHFFFAOYSA-N	422.245	5.141	30	20	HKED	
O=C(NCCC1(F)CCC1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	558206304	GPJLQRPSFWRAPJ-ZDUSSCGKSA-N	400.338	5.280	30	20	HKED	
N#CCC[C@H](C#N)CNC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	562844303	WSWXYRQXEFKZKM-BEFAXECRSA-N	411.336	5.640	30	20	HKED	
N#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1Cl	571236228	ANUUFFDLDDCIKC-MRXNPFEDSA-N	424.957	5.030	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	573632883	QZUGEMALAIUITC-FQEVSTJZSA-N	418.541	5.218	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1C	575168521	UFVBKYULTPOOSZ-DEOSSOPVSA-N	412.493	5.731	30	20	HKED	
Cc1csc(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1C#N	583717221	ISJYASQWHDCEQU-GFCCVEGCSA-N	417.943	5.497	30	20	HKED	
N#CCn1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc2ccccc21	591862006	IGBBQYHLAYEMNM-AWEZNQCLSA-N	424.407	5.283	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccoc2)n1)c1nc2cc(C(F)(F)F)ccc2s1	595127420	PEOBSFJKBHFWIE-NSHDSACASA-N	419.409	5.522	30	20	HKED	
COc1ccc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)sc2C)cc1	603527019	FIUNWSZKXUVCEP-UHFFFAOYSA-N	404.535	5.655	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)COc2ccc(Br)cc2Cl)c1C	603899739	WDCUQLZLEKEBOW-UHFFFAOYSA-N	421.722	5.045	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1	603969471	ZKBRTTUERNPBDC-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCOCc1ccccc1	604115108	FMCKWBAUNGINOB-UHFFFAOYSA-N	402.469	5.146	30	20	HKED	
C=CCN(Cc1csc([C@H](C)OCC)n1)Cc1cc(Br)ccc1F	605708950	SGWIYHGYRQOHPM-ZDUSSCGKSA-N	413.356	5.330	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H]1c1cccc(F)c1	608638222	UECGXZDBXBICAY-MXYBEHONSA-N	412.349	5.192	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c(C)[nH]c2ccccc12	609061236	MNRWLVQDTCNJQT-UHFFFAOYSA-N	409.489	5.417	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1	609437052	MMAGOKOTEVWYHM-MRXNPFEDSA-N	417.538	5.278	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)s1	609462424	HGUZCDKICWBXEN-CQSZACIVSA-N	421.469	5.122	30	20	HKED	
N#Cc1cccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1	609464546	MYSDTCRTXFGPBV-VWLOTQADSA-N	416.569	5.247	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1Cl	609501632	CANYNJXBIPCJRZ-UHFFFAOYSA-N	419.868	5.409	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1C	609502419	ZVUAPIWFKMTFSN-UHFFFAOYSA-N	414.465	5.045	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1	609652381	STCMUYRIYPNHHR-SFHVURJKSA-N	402.519	5.570	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)c2)cc1	609994040	LREVUCLTGHNQDA-UHFFFAOYSA-N	406.445	5.741	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c2)n1	610053479	GUFKXECTBASZTB-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)nn1	610184341	SODHOOGYHUAQJZ-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2cccc(NC(=O)c3ccoc3)c2)c1	610910552	JVLLKYVPVHHHDB-UHFFFAOYSA-N	423.472	5.595	30	20	HKED	
CCc1nnc(-c2cccc(NCc3cccc(OCc4ccccc4C#N)c3)c2)o1	610911496	KAGOGVKJSXIROC-UHFFFAOYSA-N	410.477	5.362	30	20	HKED	
CC(C)OC1CCC(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	611041867	LSILAYXNJAMMPA-UHFFFAOYSA-N	421.541	5.189	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2n1C(F)F	613401579	FZBGASCHPKWWPJ-SFHVURJKSA-N	403.388	5.714	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnc2ccccc2c1C(F)(F)F	640566768	CUJYDYOGLDVCQE-UHFFFAOYSA-N	417.390	5.301	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642409524	WZQINRMHWCKKGB-IUCAKERBSA-N	420.300	5.319	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc2ccccc2n1	673812279	SQKJBDOFCMDJBQ-INIZCTEOSA-N	423.419	5.867	30	20	HKED	
O=C(c1ccc(Cl)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	681136972	FINBUVLEJPKJGJ-UWVGGRQHSA-N	413.667	5.172	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCCC2	685470374	PZCBEYNIBAKHAZ-HZPDHXFCSA-N	406.473	5.363	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3ccccc3C(F)(F)F)SC2=S)cc1Cl	726626167	AAISSUCIAWMWLM-CHHVJCJISA-N	424.856	5.636	30	20	HKED	
Fc1ccc(-c2nc3c(s2)C(=NNc2ncccc2C(F)(F)F)CCC3)cc1	727683148	CVFGMHJYRJZROT-UHFFFAOYSA-N	406.408	5.516	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C	728175758	ZIQLPOXWDSNMSU-UHFFFAOYSA-N	405.498	5.702	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2nnc(-c3cccc(Cl)c3)o2)cc1OC	730098888	UZFGMCDAAXJVIP-UHFFFAOYSA-N	422.268	5.001	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(F)c(Cl)c1	733080101	DSQFQUVDUDYWDU-UHFFFAOYSA-N	409.774	5.186	30	20	HKED	
CC[C@@H](NC(=S)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccs1	734373428	LGYADMXIXWQUTK-HXUWFJFHSA-N	407.564	5.636	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1	735788007	HWGYYAZRPGJQSH-CVTTXWKISA-N	410.477	5.098	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)c3ccco3)c2)s1	740468094	PHNNWSVVAIMKND-QHCPKHFHSA-N	413.502	5.469	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	742536927	FPJJQJZZASXWRQ-NRFANRHFSA-N	401.535	6.017	30	20	HKED	
CCN(CCC#N)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2F)c1=S	742540257	DIHOZMVNPZTQSU-UHFFFAOYSA-N	415.925	5.056	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	744061514	LSYVXPIQNLIRKC-FCBIJRMHSA-N	412.555	5.369	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2cc(-c3ccccc3)on2)cc1F	744380251	MCYVVUARGINGHV-UHFFFAOYSA-N	413.408	5.326	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1c(C)nn(C(C)C)c1C	746489311	UMQXVLAAFGEXJN-UHFFFAOYSA-N	418.570	5.897	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(SC(F)F)cc2)cc1C#N	752147638	AJKWFFQKCXLJMG-UHFFFAOYSA-N	406.414	5.085	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1coc(-c2ccc(C(F)(F)F)cc2)n1	755802773	WUOLNRMFWFVYRF-UHFFFAOYSA-N	412.314	5.513	30	20	HKED	
COc1ccc(-c2nc(/C=C\C(=O)c3cc(Br)ncc3F)cs2)cc1	762428144	WCIVFJNEESGCKF-DAXSKMNVSA-N	419.275	5.011	30	20	HKED	
COc1ccsc1/C=C1\CC2(CCOCC2)C/C(=C\c2sccc2OC)C1=O	764442341	OQWSAVDGYRZXID-JOBJLJCHSA-N	416.564	5.454	30	20	HKED	
COc1ccsc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O	764665085	HXSKTRASLTVKDL-UHFFFAOYSA-N	415.927	5.039	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN(C)Cc2csc(CC)n2)c1=S	764914817	JXVFFMMMLRBGAF-UHFFFAOYSA-N	420.007	5.029	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)cc1	766842040	PQMFXLINBJABNS-OWCLPIDISA-N	412.436	5.516	30	20	HKED	
N#Cc1ccnc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1	766957745	SCVDQVXZYYAACN-UHFFFAOYSA-N	402.504	5.108	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)c([N+](=O)[O-])cc1F	770047602	YCNFKHLZLRZEGV-UHFFFAOYSA-N	414.208	5.163	30	20	HKED	
COCc1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	770238181	XTKCYTXWQPGGAD-UHFFFAOYSA-N	401.466	5.122	30	20	HKED	
N#CCc1ccc(COC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	776112809	MFBJEMCJRLQKDN-UHFFFAOYSA-N	416.424	5.181	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Cc3ccccc3CC#N)s2)cc1	776949165	UNVLGGFWSLVNKW-GOSISDBHSA-N	403.551	5.255	30	20	HKED	
C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1NC(=O)c1ccccc1	778625527	ZSFBFCSEKJPZAO-HNNXBMFYSA-N	404.853	5.382	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(COC(=O)C2(c3ccc(C#N)cc3)CC2)on1	781400190	PUMOJQHFPUISIN-UHFFFAOYSA-N	424.456	5.150	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)Nc1cccc(OC(F)(F)F)c1	783731400	WJVKWIULCPHXOD-UHFFFAOYSA-N	407.461	5.312	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	795987397	VBOQEFQUTWLRQF-CVDCTZTESA-N	412.489	5.631	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2ccc(C#N)cc2c1C	796746501	LBWXLVXZGNEAPS-IBGZPJMESA-N	415.518	5.167	30	20	HKED	
C[C@H](Cn1ccc2ccccc21)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	796902341	CAZOOLJJBYHECT-GDBMZVCRSA-N	421.472	5.556	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1	800577374	NIDBYZPVQFKZHE-HXUWFJFHSA-N	415.331	5.173	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1	804560856	NUIPKHHOMQQFLQ-UHFFFAOYSA-N	412.534	5.030	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	806101764	PZTZGIFLAAALLQ-UHFFFAOYSA-N	404.470	5.798	30	20	HKED	
Cc1ccc(CC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c(Cl)n1	808171469	YJAILOYSGWSNFK-UHFFFAOYSA-N	407.876	5.139	30	20	HKED	
CCOc1cc(/C=C(\C(=O)OCc2cc(C#N)ccc2F)c2ccccc2)ccc1O	808421561	MPOYEWGCFKIFBI-BKUYFWCQSA-N	417.436	5.086	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](F)C(F)(F)F	810206340	JZQMVLUCORSDIZ-AWEZNQCLSA-N	422.300	5.105	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)Cc1cccc(OCC#N)c1	810588538	RFFZRLUJEIOBLS-OAHLLOKOSA-N	410.470	5.007	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)ccn1	810819401	BJPVWEHAOOLNOU-UHFFFAOYSA-N	418.503	5.086	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)c(C(F)(F)F)c1	811624722	OMMQMPUSLFURCE-OQLLNIDSSA-N	424.494	5.082	30	20	HKED	
C=CCC[C@@H](C(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1)c1ccccc1	812662622	KJIXKCHBAMWZBV-JWQCQUIFSA-N	407.554	5.107	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1	813217863	JXEZFWUEHRDXFZ-QRRJMBGHSA-N	422.406	5.526	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@@H](C#N)c5nc(C)cs5)(C4)C2)C3)cc1	915100088	DRBZTJLHDYPQHL-MUGZVFATSA-N	406.551	5.175	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cccc(OC(F)F)c3)c2)cc1	916128796	CILGYFVFNDEGGE-MDWZMJQESA-N	423.415	5.445	30	20	HKED	
O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1cc(Cl)ccc1Cl	916137513	BQUKAAJZEWRODB-YVMONPNESA-N	413.304	5.274	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(C)cc2)n1	916903903	UHLKBKKCMYTRHD-IBGZPJMESA-N	417.534	5.205	30	20	HKED	
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Cl	916905393	KJIPFHGHXHCTFA-HXUWFJFHSA-N	402.881	5.210	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	920111331	SMGXKFCDGKQAHB-KNQAVFIVSA-N	416.546	5.814	30	20	HKED	
Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920140308	BIBBXROMAZVCRN-PBHICJAKSA-N	421.909	5.287	30	20	HKED	
Cc1ccc(CN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2ccco2)s1	921058977	MSCFLIWGGHHXNS-SFHVURJKSA-N	421.547	5.138	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1	1789019577	HCGRESGPWIVFFN-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)C(C)C)n[nH]1	1814932277	ZSKGNSBEPVKQIS-ZEYPLWLESA-N	422.573	5.054	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cscc2C)n[nH]1	1818240554	AYVRPOQOTKTAJJ-SFHVURJKSA-N	414.575	5.078	30	20	HKED	
N#CCSc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1-c1ccccc1	9395434	NWECHMUYBZRMOR-UHFFFAOYSA-N	419.513	5.765	30	20	HKED	
N#Cc1ccc(NC(=O)CCSc2ncc(-c3ccc(F)cc3)o2)cc1Cl	10848765	ORJVFVJQHSTTEE-UHFFFAOYSA-N	401.850	5.127	30	20	HKED	
COc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccccc2)cc1Cl	15237295	BRDGWBQOYZUEIB-OAHLLOKOSA-N	423.929	5.132	30	20	HKED	
C=CCN(CC=C)C(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1	62583059	BQIFXNFKUZNSJB-UHFFFAOYSA-N	423.271	5.064	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3C)c3cnn(C(C)C)c3n2)c(C)o1	63961620	SVSPNUZPJSCEAM-UHFFFAOYSA-N	413.481	5.321	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccccc2F)n1)c1nc(-c2ccccc2)cs1	64779204	VYYPVJSZKBCPLN-UHFFFAOYSA-N	421.522	5.906	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1	65749457	HACFASMBWFXJDH-UHFFFAOYSA-N	402.454	5.089	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Oc4ccccc4)nc3)s2)cc1	97403370	LCPQSLJXMFTGGE-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N2CCCC[C@@H]2CC)nnc1-c1ccc(Cl)cc1	104577961	FXBSLEQJTKQJMQ-YJBOKZPZSA-N	418.994	5.056	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(COc2ccccc2C#N)c1	303623227	XHIQTHQDJXXRLF-QHCPKHFHSA-N	412.489	5.123	30	20	HKED	
CC(C)c1nc(C2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)no1	433006611	QLZSSIDHOGBHKF-UHFFFAOYSA-N	414.509	5.004	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCSCc2ccccn2)cc1F	437466903	LQBXBYSBXTYTFR-UHFFFAOYSA-N	407.470	5.147	30	20	HKED	
N#Cc1ccccc1SCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	439720206	PJROWZKCMUFXJX-NRFANRHFSA-N	411.530	5.080	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	443892317	UBGKVUNUPXNPIY-UHFFFAOYSA-N	423.753	5.585	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c2ccccc21	444176460	OYPPPWGOXYHMFY-GOSISDBHSA-N	411.292	5.247	30	20	HKED	
CC(C)n1c([C@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)nc2ccccc21	444255956	GOQAZWKIQUAWIL-SFHVURJKSA-N	413.525	5.367	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c2ccccc21	444268131	LTOOHTJEUHGSFG-LJQANCHMSA-N	403.501	5.494	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	446875164	ZEUCFLMDUYGFCK-HXUWFJFHSA-N	403.448	5.480	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1	447380797	FIKMVEINWCAEDZ-PXNSSMCTSA-N	403.551	5.631	30	20	HKED	
C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N(C)[C@@H](C)CC#N	460378417	XYWMTVWEGYEPDJ-KRWDZBQOSA-N	412.497	5.068	30	20	HKED	
CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1	461482486	BMEQTHDMFUXWHJ-UHFFFAOYSA-N	405.552	5.015	30	20	HKED	
N#CCCSc1ccccc1NCc1ncc(-c2ccccc2Br)o1	462222259	DHXADBOAJCGBRM-UHFFFAOYSA-N	414.328	5.722	30	20	HKED	
CCc1c(NC(=O)[C@H](C)c2cccc(C#N)c2)cnn1-c1ccc(C(F)(F)F)cc1	462323192	GQMDJISYOLLADN-CQSZACIVSA-N	412.415	5.067	30	20	HKED	
C=CCn1c(SCc2ccccc2OCC(F)(F)F)nnc1-c1ccccc1	462982569	WXRAORCWUWFKPV-UHFFFAOYSA-N	405.445	5.365	30	20	HKED	
C=CCOc1cccc(NC(=O)CCc2nc3cc(Br)ccc3s2)c1	463143662	IRSVAXZMXFKKOX-UHFFFAOYSA-N	417.328	5.195	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCC(=O)Nc2cc(Cl)ccc2F)cc1F	463232126	QRMFYBJXINKELR-UHFFFAOYSA-N	413.811	5.333	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	464228429	CJCXTYPQRSOHJB-KSFYIVLOSA-N	404.441	5.093	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1nc(-c2ccccc2)cs1	465909106	WPHQHUKDFSZHIL-WEYGHZABSA-N	416.550	5.352	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1	466140320	BWQZAUCNSNTIIS-RZUBCFFCSA-N	403.526	5.422	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1	466699649	KKDAOQPNGNBUDV-HNNXBMFYSA-N	410.465	5.106	30	20	HKED	
COc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1	467091982	NANDYEWHAOOAFV-NRFANRHFSA-N	411.486	5.371	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	468005604	PYXCVVWYYXTAQU-UISBYWKRSA-N	422.291	5.291	30	20	HKED	
Cc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1NC(=O)c1ccco1	470186376	RCWNOKNVCXTCJH-UHFFFAOYSA-N	407.514	5.069	30	20	HKED	
C[C@@H](CCC#N)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1	470443096	BFWRVLZNRRYAIF-LBPRGKRZSA-N	404.326	5.420	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)s2)cc1	472523366	WMAAWKSKEYMWBI-UHFFFAOYSA-N	421.831	5.530	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ncoc3-c3ccc(F)cc3)n2)cc1	473477368	GIAKEGKXCUCTMG-QGZVFWFLSA-N	419.437	5.103	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(Cl)c1	474412966	MYLDWKXXQRALBU-UHFFFAOYSA-N	410.857	5.423	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)n1	474444878	IZYLFKSOLPWJGQ-HNNXBMFYSA-N	419.510	5.342	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	475341365	BDVAXMBRWRIPEW-IBGZPJMESA-N	407.901	5.743	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CO)c1ccc(Br)cc1	475558713	LRPNXGFREAVPGD-LJQANCHMSA-N	417.347	5.156	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)cc1	476236466	KITJVOUTFBEYFP-UHFFFAOYSA-N	405.885	5.367	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1)c1ccc(F)c(F)c1	477741421	KYIJVVQRKZQNAA-JOCHJYFZSA-N	412.480	5.195	30	20	HKED	
Cc1coc(-c2cc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc2C)n1	479284115	NUGYOWFFQAFHOQ-FCHUYYIVSA-N	400.482	5.262	30	20	HKED	
N#Cc1c[nH]c(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1	480882724	YSTPCEPMHSSOIS-UHFFFAOYSA-N	418.840	5.026	30	20	HKED	
C=C(C)[C@@H](NCc1nc(-c2cccc(Br)c2)no1)c1ccc(F)c(F)c1	481614359	ZFVKFGWHWDYSMK-GOSISDBHSA-N	420.257	5.184	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1	483288518	YSNBLMRGPNPPMI-QIJUGHKUSA-N	418.459	5.283	30	20	HKED	
Cc1nc(SCC(=O)Nc2cccc(Cl)c2Br)c(C#N)c(C)c1C	486839006	KTULQSVYGITKPP-UHFFFAOYSA-N	424.751	5.025	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](CCCC#N)c1ccccc1	487604187	OHEJKINYLMRJTF-QGZVFWFLSA-N	407.495	5.067	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	488695872	ALAIXNONLBSNSK-GOSISDBHSA-N	408.885	5.874	30	20	HKED	
C[C@H](NC(=O)CSc1nc(C(F)(F)F)ccc1C#N)c1cccc2ccccc12	488734136	MKMQBHMXSMBEKS-ZDUSSCGKSA-N	415.440	5.095	30	20	HKED	
C=C(C)Cn1c(SCC(=O)c2sc3ccccc3c2C)nnc1-c1ccncc1	489389980	KNKUALMJDHFXBX-UHFFFAOYSA-N	420.563	5.414	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1	489896334	JCKNMQYLQDOTKP-KRWDZBQOSA-N	418.566	5.809	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F	490863024	QLKQJMMJTBHSGW-HXUWFJFHSA-N	417.431	5.178	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H](c1ccccc1)c1ncc[nH]1	492517140	WKEGZEQAGLRPIY-XMMPIXPASA-N	422.488	5.130	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cnn(CC(C)C)c1C	499591573	BRASTADIMUEAEK-UHFFFAOYSA-N	403.486	5.464	30	20	HKED	
COc1ccc(CNc2ccc(Cl)c(Br)c2)cc1OCCCC#N	500723852	WWQHTYXLGRSIHQ-UHFFFAOYSA-N	409.711	5.406	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	504450090	VHAPFGGBKHQSIM-QGZVFWFLSA-N	407.539	5.278	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1	505928403	NLOMHBOEZLVECV-SFHVURJKSA-N	416.333	5.349	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](COCC)C1	508463496	GZQPNKFRSLJTKC-UXHICEINSA-N	420.557	5.010	30	20	HKED	
C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510009519	KDABZRKVYNGAMZ-HNAYVOBHSA-N	409.942	6.282	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)sc2c1CCCCC2	510218901	WFOCDRHVLMPRJT-UHFFFAOYSA-N	423.925	5.982	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Cc3ccc(Br)s3)c2)cc1	510819780	FOKITZWJKXJIMC-UHFFFAOYSA-N	413.296	5.356	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1C(C)C	512721277	STLZCFOTJLSSGL-GOSISDBHSA-N	420.534	5.749	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)cc1	513123794	MWVZVORKPPKVIR-DEOSSOPVSA-N	412.489	5.123	30	20	HKED	
COc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)ccc1OCc1ccccc1	515501301	BHZALADTZFWTQG-MRXNPFEDSA-N	403.438	5.227	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	518164446	CIADLGSCUDVCOE-QIIPPGSGSA-N	419.472	5.635	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccccc1Cl	518656054	AXNJLRKSAPSEKK-GJZGRUSLSA-N	404.988	6.025	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518666803	JPEGZXOROTWSQE-CYBMUJFWSA-N	423.460	5.159	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)cs3)n2)cc1	519317530	CTLVEYSOQBRYAN-ZDUSSCGKSA-N	403.326	5.433	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1csc(Br)c1	519451263	WOMZUJKEYRJOGP-NSHDSACASA-N	410.362	5.084	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	520595727	TTZRYDCGTQZFGD-UHFFFAOYSA-N	415.493	5.597	30	20	HKED	
Cc1nc(COc2cccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)c2)cs1	521292732	ZBAYBKFRKCLNDI-JOCHJYFZSA-N	419.550	5.323	30	20	HKED	
CCSCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	521734471	PFRBBXGVLAQCOK-UHFFFAOYSA-N	424.513	6.217	30	20	HKED	
O=C(NCc1cccc(OCC(F)(F)F)c1)Nc1ccc(F)cc1C(F)(F)F	524439174	KPHZYKKGKDNOAG-UHFFFAOYSA-N	410.289	5.107	30	20	HKED	
CC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cc(F)ccc1F	524923963	GXDVFDJBYXAAPJ-LJQANCHMSA-N	412.465	5.157	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](C)c1ccccc1C(F)(F)F	525050438	XMOBQYYYRSWHPZ-GJZGRUSLSA-N	406.473	6.232	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1	525481108	BZPNNIIDADQZGH-IBGZPJMESA-N	410.823	5.181	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccc(Cl)cc4)o3)ccc21	527292780	IHHIEVKIMHPDAB-UHFFFAOYSA-N	419.912	5.795	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1	530622519	NGALWENPWIQWAS-UHFFFAOYSA-N	416.506	5.092	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccn2)s1)c1nc(-c2ccc(Cl)cc2)cs1	533955571	OQHNRYIJIRYXDY-AWEZNQCLSA-N	422.922	5.472	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1	536630313	QYDOGOXSKCEJKG-AWEZNQCLSA-N	423.925	5.065	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	536914669	IZSPDBMGHPOPHX-QGZVFWFLSA-N	400.482	5.499	30	20	HKED	
COc1ccc([C@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Br	537303217	DHHGTAIMNMLADZ-WAIKUNEKSA-N	421.338	5.770	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@H](CC(C)C)C2)cc1	537516348	OBKKJSGGYNPRSS-PZJWPPBQSA-N	423.513	5.074	30	20	HKED	
N#CCCSc1ccccc1N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	537550836	OQJSDGCOVGNQGB-KRWDZBQOSA-N	406.338	5.217	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)c1occc1COc1cccc(C#N)c1	541276155	LQDRUIFVHRSOJO-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	541622561	QKZSLKGPQPQNST-NRFANRHFSA-N	410.304	5.512	30	20	HKED	
C=C(C)Cn1c(SCc2nc([C@H](C)c3ccc(C)cc3)no2)nnc1-c1ccco1	546382433	CXGFAILLRPLGNH-MRXNPFEDSA-N	421.526	5.250	30	20	HKED	
CCOc1ccc(Br)cc1-c1noc(-c2ccc(C3(C#N)CC3)cc2)n1	547048459	BCSBNLBKCLPQKE-UHFFFAOYSA-N	410.271	5.120	30	20	HKED	
C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1Cl	551569958	BEHLBUYDVGSZAK-LHSJRXKWSA-N	422.878	6.049	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C3CC3)C3(C#N)CCC3)cc12	556439354	ZMAZFDRRLHMMSZ-UHFFFAOYSA-N	424.957	5.159	30	20	HKED	
Cc1nc(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)cc2)cs1	577693822	NATCASMNKLQVKA-KRWDZBQOSA-N	417.412	5.012	30	20	HKED	
C[C@H](Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1cccc(C#N)c1	600849555	QLUDKSPOQHLREG-INIZCTEOSA-N	401.897	5.474	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1	606570941	KIQTVRRXUYVZSV-OFNKIYASSA-N	407.558	5.158	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1C(F)(F)F	609058722	NCOYMKDBDQQDOU-AWEZNQCLSA-N	414.383	5.240	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)oc1C	609126716	KAINRIONWNVDHU-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	609206891	WQPUURYMKMEZCS-KRWDZBQOSA-N	409.839	5.802	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	609207911	PJAFVZWOBITSBV-UHFFFAOYSA-N	400.482	5.232	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(C)(C)C)cs1	609322422	HSYWGRQLJLCYPU-OAHLLOKOSA-N	420.538	5.987	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)c(F)c1	609389255	GPWGLXCXLLGKKQ-UONOGXRCSA-N	406.523	5.792	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCc1ccc(O)cc1	609826963	QLGAFEDGJGSJNX-UHFFFAOYSA-N	401.466	5.119	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N(C)Cc1cccc(C#N)c1)c(C)n2Cc1ccccc1	609967491	IMQXKDDSZXPMPT-UHFFFAOYSA-N	423.516	5.151	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(Oc4ccncc4)c3)c2)cc1	609989423	XKSFYRRRDYRKKO-UHFFFAOYSA-N	406.445	5.741	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1	610069475	NEBLFSVWQVVTMJ-LJQANCHMSA-N	415.468	5.208	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2o1	614439606	AWFODGWATQVEED-GOSISDBHSA-N	421.481	6.108	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCC1	642158963	ZBLSKFRYNFTJFQ-STQMWFEESA-N	411.361	5.273	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	682115609	ZLBVCXWNXOSZFV-ZDCRXTMVSA-N	416.328	5.172	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2cccc(C)c2)c1	726573037	WWDJYPGOFCOUCT-UHFFFAOYSA-O	405.930	5.241	30	20	HKED	
C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1	726627330	QCJOMLKVFXPIPP-VCHYOVAHSA-N	412.923	5.182	30	20	HKED	
C#CCOc1ccc(NC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1	731112331	HYIHLKKVIAUDNB-OAHLLOKOSA-N	409.486	5.152	30	20	HKED	
CN(CCc1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	731753896	YCSASLOXJTWEDU-UHFFFAOYSA-N	417.484	5.177	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2oc3ccc(Cl)cc3c2C)ccc1OC	733232427	SGEQXPNJKXQVLM-MRXNPFEDSA-N	412.873	5.014	30	20	HKED	
N#C[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1	733621981	IUYNNWPQHVVSQG-ZHHWYLJYSA-N	416.296	5.258	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccncc1	734667809	PWQSKIMZIUCQGN-HOYKHHGWSA-N	419.500	5.477	30	20	HKED	
C=CCCCOC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	735528269	OEGGPKTUMPAPFY-AWEZNQCLSA-N	414.552	5.195	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	737529806	LFYRTJKXMDPUAN-INIZCTEOSA-N	411.427	5.019	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	739154011	AVDFBASVEOVKDM-BXUZGUMPSA-N	406.404	5.509	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2ccc(C(C)C)cc2)cc1Cl	739155421	QNJGSDVDBPUTAQ-BEFAXECRSA-N	412.917	5.313	30	20	HKED	
O=C(/C=C\c1cc(Cl)ccc1OC1CCCC1)c1ccc(N2CCOC2=O)cc1	742433073	ODGVLRDJPUHQFM-XFFZJAGNSA-N	411.885	5.514	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1	743294655	RWCFJRPSQMBELO-RUZDIDTESA-N	416.569	5.072	30	20	HKED	
COc1cc2c(cc1/C=C/C(=O)c1ccc(SC(F)F)c(OC)c1)O[C@H](C)C2	746346320	PJTZTDVQCWTBNO-FVOPLDGLSA-N	406.450	5.238	30	20	HKED	
CC(C)n1cc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cn1	746686538	IFWHXLJLFWHBDS-SREVYHEPSA-N	402.317	5.246	30	20	HKED	
N#C[C@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc2cc(F)ccc2s1	751839965	PDCKIKJGMDVHRZ-UMNQPMQUSA-N	422.447	5.761	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1csc(COc2ccc(Cl)cc2)n1	754708700	CCCBCBAVNVTEOD-UHFFFAOYSA-N	412.820	5.807	30	20	HKED	
CC(C)c1nc(C(=O)OCC2CCC(C#N)CC2)nn1-c1c(Cl)cccc1Cl	755967096	XVVBTRNESMDHRA-UHFFFAOYSA-N	421.328	5.184	30	20	HKED	
N#C[C@H](C(=O)CCCc1cccc(Br)c1)c1nc2cc(F)ccc2s1	761164986	DAYADFFHNULQEW-OAHLLOKOSA-N	417.303	5.397	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	761852421	ZFHIHTVDSBEXHA-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(Cc2noc(/C=C/c3ccccc3C#N)n2)cc1	762285397	WOLCXIKFPYQKEE-JLHYYAGUSA-N	402.454	5.049	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(OCc3ccccn3)c2)cc1	764954193	IXTLPPQXSDZGHB-LJQANCHMSA-N	408.929	5.643	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)c1=S	765032045	BVAVXCNTUGABAW-UGKGYDQZSA-N	419.598	5.135	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(SCc4ccccc4)cc3)c(=O)c2c1C	771872323	UTTMUNYLWNYTLK-UHFFFAOYSA-N	405.548	5.249	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(C2SCCCS2)cc1	774309383	FNOZUCSOZRJBFB-QGZVFWFLSA-N	405.491	5.125	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](CC)c2cc(Br)ccc2O)c1	775523438	KSGUXZPXPTWLKU-VQIMIIECSA-N	403.320	5.077	30	20	HKED	
C[C@@H](OC(=O)Cc1ccccc1CC#N)c1ncc(-c2ccc(Cl)cc2Cl)o1	777158806	OLNXTCPAFRPNGW-CYBMUJFWSA-N	415.276	5.561	30	20	HKED	
CCCCCCOc1ccc(/C=C2\CN(C(C)=O)Cc3ccccc3C2=O)cc1OC	778520314	TTYPFSJQSPRYGB-PXLXIMEGSA-N	421.537	5.283	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(CC#N)cc1	779393887	SYNFHDXQQLBGNP-NRFANRHFSA-N	420.513	5.299	30	20	HKED	
CCCN1C/C(=C\c2scnc2C2CC2)C(=O)/C(=C/c2scnc2C2CC2)C1	782301139	KHOSVINGVHOOCX-GONBZBRSSA-N	411.596	5.116	30	20	HKED	
C[C@@H](NC(=O)CCCCNC(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1	782563593	LBRHLYUKNHMTBX-GOSISDBHSA-N	421.541	5.097	30	20	HKED	
Cc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Cl)c1	790769376	RKSNADGUUOJHMS-CYBMUJFWSA-N	402.853	5.469	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)cn1	792865063	BATWXBLZTIGDJJ-GDNBJRDFSA-N	413.521	5.429	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	793045333	ZNHOXUYCWKWBSB-HSZRJFAPSA-N	407.473	5.866	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	796643474	MVLPTCYKULMHMW-JOYOIKCWSA-N	401.265	5.729	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCOCC1	796644790	YOHGXJQCLWIHAV-OAHLLOKOSA-N	423.365	5.746	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccccc2Br)CC1)c1ccc2ccccc2n1	796716015	VCYCPJCQBIHTRX-QGZVFWFLSA-N	405.295	5.196	30	20	HKED	
Cn1c(CC(=NOCc2cnc3ccccc3c2)c2ccccc2)nc2ccccc21	799175788	PZGGJOGSOWYDBA-UHFFFAOYSA-N	406.489	5.285	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)OCCCC1(C#N)CCOCC1	800225733	PIHZCPMYDPPJMY-UHFFFAOYSA-N	423.296	5.214	30	20	HKED	
CSc1ccccc1NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	808359846	MWBUXDPMRFCJFF-CYBMUJFWSA-N	406.960	5.225	30	20	HKED	
N#C[C@@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1nc2ccccc2s1	915098760	CCAOBVVYCXQSTH-SFHVURJKSA-N	422.513	5.113	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1Cl	916057221	LTRYVSKEQKBKMN-REWPJTCUSA-N	415.880	5.127	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1	916896206	AIGKORVDEXBDEX-JOCHJYFZSA-N	418.880	5.189	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1	916955543	ROXWHKYKDPRJPP-YWZLYKJASA-N	404.441	5.560	30	20	HKED	
CCOc1ccccc1OCCCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917044484	SNVCWOJEDPDXHN-HNNXBMFYSA-N	414.914	5.384	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1	917784238	UORRJIAIEJVUAC-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1F	918101791	NLLQPLXIQITNHA-UKKRHICBSA-N	418.328	5.235	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2csc(Cc3ccccc3)n2)cc1OC	918733244	JSBFDTVDZDHEIG-UHFFFAOYSA-N	416.930	5.345	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1	1789006103	TWDMJUAVBPYMKD-KRWDZBQOSA-N	402.494	5.393	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccco3)cc2)CCC1	1791910381	GEGWQQVAPMYOBO-WMZHIEFXSA-N	420.553	5.361	30	20	HKED	
Cc1ccccc1-n1c(SCc2cn3ccccc3c2C#N)nnc1-c1cccnc1	10432845	SSCJMAWEJIQPCY-UHFFFAOYSA-N	422.517	5.054	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccccc1	11055908	PZPHCJHSAWNIOS-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccccc2CC)cc1	23604205	XQPZKZHIEIVFFA-UHFFFAOYSA-O	406.575	5.095	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nc2ccccc2c1=O	27436115	BQDCCLGMDYJWLR-UHFFFAOYSA-N	409.898	5.183	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CSCC#N	41793125	IFBOFKNZHBNISV-YOEHRIQHSA-N	409.942	5.113	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2c(c1)OCO2	42060633	BQEWETWLNVGNSK-MRXNPFEDSA-N	416.502	5.070	30	20	HKED	
Cc1ccc(NCC(=O)Nc2ccccc2SCC#N)c(OCc2ccccc2)c1	55882294	KJKGOGBWAPDOHA-UHFFFAOYSA-N	417.534	5.240	30	20	HKED	
Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)cc1C	63440808	CYCONDRLIFYVHH-UHFFFAOYSA-O	415.582	5.439	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12	64456242	VAOFRPHKGDQZAU-UHFFFAOYSA-N	413.452	5.426	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C)cc2C)cs1)c1ccc(F)cc1F	96924537	GWJLZDOFHUWDFW-TWGQIWQCSA-N	412.461	5.619	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1	116859505	UWWCQOWZWLMQNE-GJZGRUSLSA-N	402.416	5.097	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2ccccc2)[nH]n1	303183267	LDJDNHHAJAOKAA-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1	303305071	DLFNNBIJSHZSSM-GFCCVEGCSA-N	414.328	5.434	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c1	429959521	VEEHYKIINHLFNA-UHFFFAOYSA-N	420.431	5.059	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C#N)ccn1	430827917	PXNYCESBRNAILF-UHFFFAOYSA-N	401.253	5.120	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1	431814317	WPQYPQDVQZXKGF-JOCHJYFZSA-N	418.472	5.247	30	20	HKED	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(C#N)c2C)cc1	432834490	BZPRPFDSSDTBIX-UHFFFAOYSA-N	415.518	5.158	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1	432869300	VKQXCNSTWQAMAB-MOPGFXCFSA-N	408.571	5.119	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)cc1	436338807	XVLBGQPACAJEBQ-IZZNHLLZSA-N	421.500	5.457	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)ns1)c1nc(-c2c(F)cccc2F)cs1	437388198	QZASYOJVOMASIE-ZDUSSCGKSA-N	423.469	5.702	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(F)(F)F)CC2)cc1	437896520	OBHKSGSETZAVJG-UHFFFAOYSA-N	417.431	5.138	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2)cc1	438150637	FTHQUNNWCICPFL-UHFFFAOYSA-N	402.416	5.350	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc(C#N)cc1	439948495	YWADJXNTJKZBOT-UHFFFAOYSA-N	424.287	5.394	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1Cl	441225892	FICVRJVHVXWWAE-QGZVFWFLSA-N	400.269	5.110	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)[C@@H](C)CC#N	444395906	ZBFWXSTWUMGBML-AWEZNQCLSA-N	418.419	5.032	30	20	HKED	
C=CCN1C(=O)N(c2ccc(-c3nc4ccccc4o3)cc2)C(=O)[C@H]1Cc1ccccc1	445880273	MCCJMBBJCSDAKN-JOCHJYFZSA-N	423.472	5.061	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3cc4cc(Br)cc(C)c4o3)[nH]c12	446768660	ZETJQAFWUIUQSA-CQSZACIVSA-N	408.255	5.179	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C	448359897	PXGYWEYWVSQYGM-UHFFFAOYSA-N	417.513	5.395	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1ccc(COC)o1	460585385	PUSWJMCHMMREKX-NRFANRHFSA-N	417.513	5.083	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCOC[C@@H]2c2ccccc2)c1	464708383	RPHSZOSDALQGFV-JOCHJYFZSA-N	418.880	5.218	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc4cc[nH]c34)c2)cc1	466401273	ZCUWXMGNHZPHOA-UHFFFAOYSA-N	410.477	5.135	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cc(Cl)ccc1OCC1CCC1	466848455	YOGVPHDGANZKNC-UHFFFAOYSA-N	415.946	5.185	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC(C)(C)C)cc1	469245745	NKZZXYZKQGOWKL-GOSISDBHSA-N	405.542	5.620	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](c2ccsc2)O1	470741821	BJPXDOBISGWCPU-NYHFZMIOSA-N	422.481	5.153	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C	471254663	WFDYEVOUGFCPPX-RDTXWAMCSA-N	403.404	5.464	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1	475449188	SYCLFIBQPGVPAG-HXUWFJFHSA-N	411.461	5.385	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1	475537448	NQKRQVCIUHXCPY-TZIWHRDSSA-N	400.444	5.847	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1	476085521	LJBBIOIXRGIKFG-UHFFFAOYSA-N	414.505	5.682	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482313103	CCAAGEURBWCKCY-INIZCTEOSA-N	415.337	5.022	30	20	HKED	
CCCN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCc2cccnc21	483215271	PYZARUBGPFUJDM-VWLOTQADSA-N	424.548	5.619	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCC[C@H](C)C1	488106548	SYTQUXZPXTXTAP-OTWHNJEPSA-N	415.603	5.227	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccccc1	489007461	GOSDEUFFSOPLFC-PWUYWRBVSA-N	409.595	5.957	30	20	HKED	
CCC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccc(Cl)c(Cl)c1	490491217	GWLXMTOAUSRWHC-MRXNPFEDSA-N	424.715	5.115	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1	494069384	OQYZGFPQAYOFSM-UHFFFAOYSA-N	409.873	5.460	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)NC12CCC(C(F)(F)F)(CC1)CC2	494242472	SKYJFAOSBYWJDZ-UHFFFAOYSA-N	412.349	5.299	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	494327701	IKPKDAUYYSBHML-MOPGFXCFSA-N	421.953	5.819	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCS1	494766324	ZEUCSKHALZRYHW-OAHLLOKOSA-N	415.946	5.150	30	20	HKED	
COc1ccccc1CC(C)(C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	495884271	OYASGMOWCIXADB-UHFFFAOYSA-N	415.493	5.270	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	496690403	PFKISMKYJVBEFK-UHFFFAOYSA-N	413.477	5.176	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)N(C)CC(C)(C)C#N)cc1	497337117	WPHRMNFLXPATTN-UHFFFAOYSA-N	403.551	5.336	30	20	HKED	
COc1ccccc1NCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	498155372	JCXWHPGZJMUTRL-UHFFFAOYSA-N	407.857	5.063	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccn2)c1	499890294	UDXSFULTOFGSKQ-MBSDFSHPSA-N	416.550	5.695	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	505217228	BRCRVTJUDXBODM-UHFFFAOYSA-N	416.333	5.673	30	20	HKED	
N#C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1cccc(Cl)c1Cl	505342882	ILOSBFJGLRCQPV-LBPRGKRZSA-N	420.040	5.029	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](CC(F)(F)F)C1	508917915	LGHIJFLDQOLFEL-KGLIPLIRSA-N	414.859	5.036	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1Cl	510007207	SZUALHOYCIHMGN-RBBKRZOGSA-N	421.953	6.426	30	20	HKED	
CCn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2ccccc21	511360807	OHSQJHQMDXTACD-QGZVFWFLSA-N	405.910	5.928	30	20	HKED	
C[C@H](c1ccccc1)n1c(Sc2ncc(C#N)cc2Cl)nnc1-c1ccccc1	513650688	QEODFNFYWMNUJE-OAHLLOKOSA-N	417.925	5.626	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(OC4CCCC4)CC3)c2)cc1	517128328	QYDRTDMJITZOFG-UHFFFAOYSA-N	405.498	5.306	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1cccc(Cl)c1	517460843	AESOFDXLDLTEPO-OAHLLOKOSA-N	420.987	5.485	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	517655218	BANMDBDSISXGLA-INIZCTEOSA-N	406.432	5.656	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc12	517793024	CKKRCSHLGSHFQE-QGZVFWFLSA-N	412.474	5.086	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	517892003	GTXWHJIFFWWZRR-UHFFFAOYSA-N	419.447	5.696	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1cscn1	518668636	IXUDULTZQMZCTK-HNNXBMFYSA-N	409.536	5.226	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1cc(Cl)ccc1F	519996687	WUJQGDCCHRQJIY-CQSZACIVSA-N	409.848	5.582	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c1C	520168915	GZKVYUWRRBUTBB-SFHVURJKSA-N	417.475	5.262	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1Cl	521147817	WLWQIVCQMYVXDD-UHFFFAOYSA-N	414.889	5.055	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2ccsc2C1	521318591	HRKFIEWEGDLPLP-UHFFFAOYSA-N	402.976	5.034	30	20	HKED	
C[C@H](NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccc(C#N)cc1	522085040	RDUORMUGSOAYKD-AWEZNQCLSA-N	400.413	5.388	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(-c2ccccc2)n1	522450329	NXGBRCRFTSBCNB-UHFFFAOYSA-N	404.539	5.050	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C	523219825	QKVPTLSQSDARTG-XMMPIXPASA-N	410.521	5.061	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(-c3nccs3)c2)c1	523272423	RUUUDPYNRKUGNI-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccncc3)on2)cc1Cl	524707248	FOGQOTFZJZNFKG-LJQANCHMSA-N	414.852	5.298	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	534003883	XTISSYCPJZGRBI-UHFFFAOYSA-N	401.853	5.109	30	20	HKED	
C=C(C)[C@H](CC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)OCC	535152727	KEVDJTSCFPSUTO-FQEVSTJZSA-N	406.448	5.001	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(C2(C#N)CC2)cc1	539592516	DKULTCUGISSNQO-UHFFFAOYSA-N	402.519	5.154	30	20	HKED	
COc1ccc([C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Br	540608387	RHUUUWCHWIVOBH-HJPURHCSSA-N	421.338	5.770	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(C(F)F)c2Cl)cc1	543502848	JFRYPFBJMLXOAV-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
COc1ccccc1NC(=O)[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(C)C	543862833	RFJVIUOJMLXVNH-GOSISDBHSA-N	408.445	5.341	30	20	HKED	
CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C)cs1	543889887	HJRDFQGKJULDIW-IIBYNOLFSA-N	404.539	5.502	30	20	HKED	
Cc1ccc(-c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)c(N2CCCC2)n1	545661241	IAKPLZYQCUNSNQ-BENRWUELSA-N	424.508	5.079	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(Cl)cc(F)c2Br)c1	559491908	QEVPISCUNNJJJL-UHFFFAOYSA-N	411.658	5.176	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC[C@H](C(F)(F)F)C1	560620236	AFTPIXHISBKSMH-ZMLRMANQSA-N	407.276	5.404	30	20	HKED	
C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	564005263	DMHNIJFYATXHIS-JTSKRJEESA-N	417.336	5.050	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C(F)F)ccc2Cl)o1	564194895	QVQHKNAIIDLCRT-UHFFFAOYSA-N	402.784	5.574	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)CC1	573710335	MEMCHHXRPZZQKM-UHFFFAOYSA-N	409.342	5.198	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(-c4cccnc4)cc3)cc2)ccn1	576692421	DVVZZTKOJVOIDQ-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
C=C[C@@H](CC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1ccccc1	581448663	MCPDTOQRGMTARL-KRWDZBQOSA-N	401.909	5.047	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1nc2cc(F)ccc2s1	592975421	DNRCBVREAQYATR-MRXNPFEDSA-N	413.433	5.734	30	20	HKED	
Cc1sc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c(C#N)c1C	603445470	NXXQCZFLYLDVCM-UHFFFAOYSA-N	402.475	5.814	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Br)cc2n1	603948161	ZLYGETXHJMGBRH-UHFFFAOYSA-N	400.663	5.083	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	603991644	FPAWRTBMLFIPDG-UHFFFAOYSA-N	421.503	5.268	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)cc4nccnc34)cc2Cl)cc1	604026825	UBXAJLYGTRFLDH-UHFFFAOYSA-N	418.815	5.339	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCCOc4ccc(F)cc43)c2)c1	604417887	IYCRRALLRFOWPS-XMMPIXPASA-N	402.469	5.280	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cc2)nc1	609515748	BDDVTWFQVSUTEX-OAQYLSRUSA-N	422.488	5.247	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2c[nH]c3ccc(F)cc23)cc1	609642244	HQCULLIWQDSZAI-UHFFFAOYSA-N	415.443	5.089	30	20	HKED	
CC(C)COC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1	609723594	KJGJKQDMNNBQLH-UHFFFAOYSA-N	412.917	5.281	30	20	HKED	
C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	610187004	VEFNZIOXYZFILC-STSQHVNTSA-N	400.478	5.137	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1	610350608	ROSSYTUIHLFOOA-HIFRSBDPSA-N	408.502	5.251	30	20	HKED	
C[C@H](NC(=O)NCc1ccccc1COc1ccccc1Cl)c1cccc(C#N)c1	610356526	UILWWSYBNYDJSP-KRWDZBQOSA-N	419.912	5.351	30	20	HKED	
CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1	610408254	QCALZTLDOLVERI-WUZYXKQASA-N	419.525	5.138	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)NCc1ccc(C#N)cc1F	610904525	QMGAEWBXEKLEJO-UHFFFAOYSA-N	421.497	5.320	30	20	HKED	
Cn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C(F)F	611160379	JBVWUVPFZAFKPN-UHFFFAOYSA-N	417.803	5.319	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)c1	611356189	VCHITXMZIMNFSC-ZWKOTPCHSA-N	424.928	5.283	30	20	HKED	
Cc1noc(C(C)C)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346882	RNOCNALNHAHYLR-CYBMUJFWSA-N	420.321	6.027	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(F)cc2OC2CCCC2)c2ccccc21	618221471	WJPADRNBVFJWNU-UHFFFAOYSA-N	405.473	5.658	30	20	HKED	
Cc1[nH]nc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1-c1cccc(Cl)c1	618332624	PPEJMNODKLYWQM-UHFFFAOYSA-N	417.900	5.549	30	20	HKED	
C=C(CNC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccccc1	673342524	POGNPXIEKUWWGG-UHFFFAOYSA-N	410.926	5.405	30	20	HKED	
C[C@@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	676874281	JXAAIBKYRYWUAH-GARJFASQSA-N	403.313	5.048	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1	681327954	LBTIWPSSERZMMS-QFIPXVFZSA-N	418.459	5.112	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccc(-c3cccc(F)c3)s2)C(C)C)c1	726479310	RLGZGDVNUSKXPT-UHFFFAOYSA-N	408.567	6.143	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2ccc(Oc3cccnc3)c(F)c2)cc1Cl	726479630	XRWGIVYUHCMUTA-UHFFFAOYSA-N	412.877	5.025	30	20	HKED	
C#Cc1cccc(N(C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)C(C)C)c1	728247509	GFNSUDGREJIKEW-UHFFFAOYSA-N	412.493	5.309	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1	728698675	PDXYQBTVQJGJHO-MTOJCTJASA-N	420.921	5.967	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1	730420203	BELTUOPGLQYNEM-SDQPKGBYSA-N	415.287	5.396	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	730480374	BWOKENHZTKUHCW-UHFFFAOYSA-N	414.477	5.010	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C/c1cc(Br)ccc1F	731335853	TUWGJGVUIGUQGI-YSKGHYERSA-N	419.319	5.634	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccccc1	732039126	UELWTAGWJUCKMA-OAQYLSRUSA-N	406.482	5.154	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2sccc2C)cs1)c1ccc(F)cc1F	733749801	ZPFIDKHNTBSABS-XQRVVYSFSA-N	404.463	5.372	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)c1	735570784	PIROOBWAFSAUJR-GOSISDBHSA-N	420.513	5.419	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCCOc4ccc(F)cc43)c2)s1	740059257	GPCVGYWCEJHTPN-FQEVSTJZSA-N	421.497	5.139	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1	742537933	ROUUYBLLIPWHIX-ARKBFRDHSA-N	401.535	5.748	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1	742546726	SQOKRQFZUWOZEF-KTKRTIGZSA-N	404.495	5.151	30	20	HKED	
O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccc(SCC(F)(F)F)cc1	743056184	QSTBSCHKVFEKGP-KMKOMSMNSA-N	416.424	5.819	30	20	HKED	
Cc1nn(C)c(C)c1C(=NNc1nc2cc(C(F)(F)F)ccc2s1)C(F)(F)F	743445394	SDLJCUNBNNZGLV-UHFFFAOYSA-N	421.370	5.044	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(CC)cc1	749102800	RVHXXOJXPCRRRZ-UHFFFAOYSA-N	407.352	5.536	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](OC(C)(C)C)c3ccccc3)n2)cc1	754532220	SCNOQUAPZRLDPX-DENIHFKCSA-N	404.535	5.851	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1	757152792	VULSSQFUIJZSHH-UHFFFAOYSA-N	414.461	5.071	30	20	HKED	
O=C(/C=C\c1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1)c1ccc(Cl)nc1	759083144	LTCWAJLMFNVXAV-XEQVNJCQSA-N	409.272	5.576	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(C3OCCO3)c2)cc1Cl	760197487	OXQHJQWXDKVBIC-OAQYLSRUSA-N	418.880	5.293	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1ccc2ccccc2n1	765910821	OKUCPLAYWLZXCQ-DEOSSOPVSA-N	422.484	5.112	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)c3csc(-c4ncccc4F)n3)cc2)cc1	768803740	JLXOOURUBDQPHQ-UHFFFAOYSA-N	417.421	5.227	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	775235170	SOJUFDUDVOJRQW-QGZVFWFLSA-N	405.523	5.494	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	785552713	KXSCZKSSHJKAOM-HXUWFJFHSA-N	423.394	5.182	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2sccc2Br)c(-c2ccccc2)n1	788348175	FMJIFSWZZMVXFX-BQYQJAHWSA-N	412.312	5.184	30	20	HKED	
COc1cccc(Cl)c1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	790769423	SHQBAPKUZKBECX-LBPRGKRZSA-N	418.852	5.169	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	804835327	MFVPOKRQJBSIMK-UHFFFAOYSA-N	413.304	5.243	30	20	HKED	
CC(/C=C/C(=O)c1cccc(N2CCOC2=O)c1)=C\c1cccc(C(F)(F)F)c1	806571690	MKHFVKSASAKAOY-BRBUPDJYSA-N	401.384	5.504	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc(Cl)cc1	810186410	VCLYFPJEYHWDBM-PZGXJGMVSA-N	422.937	5.144	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC([C@H](O)c3ccc(OCC)cc3)CC2)c1	812931500	NRVLHYCNTNAYKV-XMMPIXPASA-N	424.541	5.018	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3ccc(Br)nc3)s2)cc1	814847425	NNPHUWUCORZSEB-UHFFFAOYSA-N	417.332	5.121	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc1	904507681	FNDCUFQEEZCFTB-UHFFFAOYSA-N	400.413	5.531	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1	915598649	ZRZDPAFQJKNZOM-HXUWFJFHSA-N	409.258	5.496	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2c1C	916882766	CEBNKOUPHFQFHY-KRWDZBQOSA-N	413.449	5.061	30	20	HKED	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917040710	NKJIARUSXKKEOX-NLDJYOPPSA-N	403.473	5.085	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccccc2OCc2cccnc2)cnn1-c1ccc(F)cc1	920991475	KBXVVPMUTYTJSM-JYRVWZFOSA-N	413.452	5.190	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2O)cc1	1140804672	ZVLLBEYLDMYDSA-UHFFFAOYSA-N	415.396	5.081	30	20	HKED	
Cc1cc(Cl)ccc1CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1	1307547031	XFMYQAYVOYPNFQ-UHFFFAOYSA-N	402.885	5.309	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)CCC1	1787326801	UWJJJKXUEWHCRJ-UHFFFAOYSA-N	420.987	5.068	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1	1791731922	LEHQYFUOPFNORK-XMMPIXPASA-N	414.496	5.060	30	20	HKED	
N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccccc4C4CC4)cc3)CCC2)CCC1	1792087533	OFRLJDDQBSRALK-UHFFFAOYSA-N	413.521	5.006	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(CC=C)CC=C)CC1	1824137315	GDKZSITWTAKMSI-XMMPIXPASA-N	412.618	5.143	30	20	HKED	
CCOc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)ccc1OCC(C)C	7165112	NEGJJMWKXHXCDA-BKUYFWCQSA-N	424.566	5.629	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1Cl	16095841	DOEDSMLTOMVNAL-QGZVFWFLSA-N	418.852	5.074	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccccc2CC)cc1	22729851	KXDFPZMSYBAZMT-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
C=CCn1c(SCc2csc(C)n2)nc2cc(-c3ccccc3)sc2c1=O	24267992	KWHLSLUMAOTATC-UHFFFAOYSA-N	411.577	5.368	30	20	HKED	
COc1ccc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)cc1F	25966268	QYUZWJNXTPDRKZ-UHFFFAOYSA-N	406.482	5.129	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccsc2)n1	32786618	IGCKLTGPGMQZOL-UHFFFAOYSA-N	410.593	5.532	30	20	HKED	
CCCCCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)cc1OC	46827674	BKDNGYJPNLJPRB-SFHVURJKSA-N	409.530	5.038	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccnc(OC4CCCC4)c3)c2)c1	60975603	JXCMAXVXSLXVKS-UHFFFAOYSA-N	413.521	5.143	30	20	HKED	
CC(=O)N(c1nc(CSc2nc(C)nc(C)c2C#N)cs1)c1ccc(C)cc1C	105630301	OUHJDGDQDSYQFE-UHFFFAOYSA-N	423.567	5.015	30	20	HKED	
C=CCOc1cccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1	303101177	HTOPHEGZGUGRSO-UHFFFAOYSA-N	418.440	5.575	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1	303417913	TURDERBPUNTQQI-RUZDIDTESA-N	423.516	5.107	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	426094520	TWWXZFJTIILTAZ-UHFFFAOYSA-N	411.408	5.085	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[C@H](c1ccccc1)C(F)(F)F	433119325	UUHBGPWEBXQWBG-DOTOQJQBSA-N	421.488	5.796	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H](C#N)CCc1ccccc1	433218459	IMJKQJQBDQZSKP-HXUWFJFHSA-N	404.535	5.058	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](COCc2ccccc2)C1	438078249	MYMYCNWDSUPTAR-ICSRJNTNSA-N	409.555	5.009	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1ccc(C#N)cc1OC(F)F	439558071	XNLNGBJBQWSIQT-MRXNPFEDSA-N	413.468	5.095	30	20	HKED	
COCCCn1c(S[C@H](C)c2cccc(C#N)c2)nnc1-c1ccccc1Cl	442916254	AKWHPDINJGLVJM-OAHLLOKOSA-N	412.946	5.360	30	20	HKED	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC(C#N)(c1ccccc1)c1ccccc1	444650252	LZJNWHYIEAZZLF-DFXYEROKSA-N	416.590	5.317	30	20	HKED	
C[C@H](c1ccc2ccccc2c1)N(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CC1	462082583	HJBOMEDOZPMNKK-QGZVFWFLSA-N	422.492	5.050	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCn3c(cc4ccccc43)C2)cc1	463520922	YMUZHADMPYYFEX-UHFFFAOYSA-N	408.461	5.353	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1Cl	464952408	NHNDHPLHFGYBQW-WMZOPIPTSA-N	403.707	5.014	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1	467070337	VFACBSOZOZGVPX-SFHVURJKSA-N	402.404	5.292	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C	471856612	LYZMBWQUCBDICF-MRXNPFEDSA-N	414.962	5.736	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1	476094148	CRUDWUOZXANPPN-MRXNPFEDSA-N	417.475	5.399	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)cs1	479288293	UJGQUBDOXRVHJY-HXUWFJFHSA-N	405.548	5.452	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(F)c(F)c1	479951670	BMIBNLAYPIRFKX-OAQYLSRUSA-N	413.468	5.030	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(F)cc1OC1CCOCC1	482167414	HLKDMOCUDWYXLE-UHFFFAOYSA-N	412.505	5.879	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482376414	GEMYMMCZEBLPGV-OAHLLOKOSA-N	419.325	5.027	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	482430207	GWCPDUFASFOWSM-HNNXBMFYSA-N	420.403	5.351	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cccs1)c1nccc2ccccc12	483202914	PRXYLZCSLZIPCG-FQEVSTJZSA-N	400.528	6.079	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N[C@]2(C#N)CC2(C)C)c2nc3ccccc3s2)c1	484921263	UQPJEHQMLXGWDE-AOAINSGISA-N	417.534	5.044	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(OC2CCCC2)c1	485519042	KJSVLWBLXUGWHU-MRXNPFEDSA-N	410.539	5.663	30	20	HKED	
N#CCCN(C(=O)c1ccc(Oc2cccnc2)cc1)C12CC3CC(CC(C3)C1)C2	486583575	FFXUZVQBPHNYLA-UHFFFAOYSA-N	401.510	5.199	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1	487217505	HKWVVTPNYWVXDP-RUZDIDTESA-N	409.489	5.302	30	20	HKED	
C=CC[C@H](C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccccc1	488838465	LLXHCKVDDNTNJD-IBGZPJMESA-N	414.908	5.016	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)CC1	491594828	UJTYZQQZEANPGX-UHFFFAOYSA-N	408.716	6.081	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	492049481	XKRSIVGEQUCVHU-UHFFFAOYSA-N	423.900	5.448	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c[nH]c2ccccc12	495079246	MWUWZVWLSSOPFV-LJQANCHMSA-N	423.516	5.945	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccc(C#N)cn4)cc3)sc2c1	495266512	HCRMQFVPLYSMLH-UHFFFAOYSA-N	416.531	5.269	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CC1	496806564	RIZOOQPUZBFBDI-NSHDSACASA-N	409.342	5.197	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	498721787	LZJKHYDIWPDFOH-FQEVSTJZSA-N	417.557	5.375	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1c(Cl)cccc1Cl	499809231	GOSDCYMUQLQSKL-HNNXBMFYSA-N	406.656	5.296	30	20	HKED	
Cc1c(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)sc2ccc(C#N)cc12	501058680	RXJOSDBIPMCFEG-SFHVURJKSA-N	414.889	5.088	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCSc3ccccc3)c2)cc1	501462497	PQWLCGVKOHPNTD-UHFFFAOYSA-N	402.519	5.453	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1	504748871	DPRVNBOQINDOAX-OALUTQOASA-N	415.320	5.039	30	20	HKED	
COc1cc([C@H](C)NC(=O)c2cc(C#N)ccc2Cl)ccc1OCc1ccccc1	507189997	XVINSIBQDMSUPT-INIZCTEOSA-N	420.896	5.290	30	20	HKED	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	509556199	WKUJCNPPCKCMJD-UHFFFAOYSA-N	402.454	5.172	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cc(Cl)ccc1F	512529781	VXDTYMFMYLSULL-AWEZNQCLSA-N	409.848	5.582	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc2ccccc2s1	513730310	XZIHNNAPSOQWDS-OAHLLOKOSA-N	415.440	5.405	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)C2(c3ccc(F)cc3)CCCC2)CC1	518395188	FUTYCTQPTYGOAF-UHFFFAOYSA-N	406.501	5.016	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1	518931257	FYXLRAQTPOYXAE-UHFFFAOYSA-N	424.456	5.658	30	20	HKED	
CCN(Cc1c(Br)cncc1Br)[C@@H](C)c1ccc(C#N)cc1	522044899	RTWZRUKHUFFIKS-LBPRGKRZSA-N	423.152	5.061	30	20	HKED	
CCOc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	524438696	RMYJNVBZGMAAEL-UHFFFAOYSA-N	415.493	5.166	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1	524457880	JEICABGKXYPJBZ-UHFFFAOYSA-N	423.520	5.459	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccccc1F	525046529	CFARXQRKODMKFX-HNNXBMFYSA-N	421.501	5.097	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1Br	533850694	SEAUZXJQUYCHLL-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc2c(cc1Cl)OCCO2	537574214	YTNZZRFLDANOFY-UHFFFAOYSA-N	406.825	5.027	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)cc2)cc1	537890705	KYHBXHHAPFRLMA-DHLKQENFSA-N	412.489	5.053	30	20	HKED	
COCCOc1c(Cl)cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1Cl	539131843	UXPIJVRXTKTYIR-SFHVURJKSA-N	422.312	5.185	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2c[nH]nc2-c2c(F)cccc2F)cc1	539710575	UFDQCRZSWJRTJR-UHFFFAOYSA-N	400.432	5.183	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc2c(cc1Cl)OCCCO2	539775220	JKCCJMLESBIZEJ-UHFFFAOYSA-N	420.852	5.418	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SC2CC2)cc1)c1nc(-c2c(F)cccc2F)cs1	543057561	FLPHCDDGSVXFLF-OAHLLOKOSA-N	412.486	5.833	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543873660	ADUAAJKEROGQCM-MRXNPFEDSA-N	419.912	5.177	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	544247819	JZQPRIRJMDHIEB-FVJLSDCUSA-N	409.555	5.562	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)c1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1	547260390	LSFUZIZHAGVJTN-SNVBAGLBSA-N	410.207	5.528	30	20	HKED	
Cc1nc(SCC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)c(C#N)c(C)c1C	550493607	HLFQZPUBIPUJNW-UHFFFAOYSA-N	421.488	5.041	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](CCCC#N)c1ccccc1	550830961	NZIAZCFLLNFVIH-JXFKEZNVSA-N	414.347	5.191	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]cc3-c3ccccc3)cc2F)c1	556622392	QWADTYQWIIJXCU-UHFFFAOYSA-N	411.436	5.524	30	20	HKED	
C[C@](C#N)(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CCCCC1	571832180	JXYXMPIVJNHIRX-OAQYLSRUSA-N	417.431	5.485	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ncc(-c4cccc(Cl)c4)o3)cc2)ccn1	572174769	GBPOCNNMEUMRLN-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)c1ccc(Cl)cc1	579417075	XVDNSQMBNMYMSA-HNNXBMFYSA-N	419.868	5.247	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1	595236101	XCBVDGSNGSICCX-JWQCQUIFSA-N	410.517	5.396	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(OCc3cccnc3)c2)sc2c1CCCCC2	603750192	JUGPNNIUMDVMOJ-UHFFFAOYSA-N	403.507	5.115	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)o1	603958613	YUVMSHWTUWQQNH-UHFFFAOYSA-N	410.882	5.136	30	20	HKED	
Cc1ccc(C)c(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	604004027	WABPMMVPSAZDGJ-UHFFFAOYSA-N	416.546	5.679	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4ccncc4)c(Cl)c3)[nH]c12	605363331	UWGAYBUHGRDEGS-INIZCTEOSA-N	402.841	5.202	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SC(C)C	609061940	LJAWFAFHXBGYCZ-UHFFFAOYSA-N	416.546	6.199	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCc4ccccc4C3)cc2Cl)c1	609079671	GRRSPPAAKRTOEZ-UHFFFAOYSA-N	417.896	5.381	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccc2n1	609378528	SIRLKYLOCRFXCQ-UHFFFAOYSA-N	415.440	5.820	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1	609980668	REFOEZZELBXUSO-DFBJGRDBSA-N	406.526	5.034	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1C(F)(F)F	610223881	ONWXBGKPNLFDBV-AWEZNQCLSA-N	411.383	5.507	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccc(C#N)c1	610364829	VIHAZSGDIJFAAZ-OAHLLOKOSA-N	401.853	5.367	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc2ccccc2n1	613292545	OESJYAPPBJGPJL-LJQANCHMSA-N	404.429	5.171	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cnn1-c1cccc(Cl)c1	613292652	PFVSNBOAYBMZDT-SFHVURJKSA-N	400.869	5.126	30	20	HKED	
C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1	614092685	IHYJKOUTIUHDQH-LJQANCHMSA-N	420.582	5.071	30	20	HKED	
CC(C)c1c(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1Cl	618767398	YSYCVYRXSBFZHA-LJQANCHMSA-N	419.916	5.330	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc2ccccc2n1	620847290	KJLMYCLUBMQJEV-OAHLLOKOSA-N	424.312	6.155	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C	726762525	IUNBFHFRBJFOLQ-UHFFFAOYSA-N	420.944	5.614	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](c1ccccc1)C(F)(F)F	728767205	XLOBTERVHWCDCY-RBUKOAKNSA-N	416.443	5.195	30	20	HKED	
C=CCc1ccc(OCC(=O)O[C@@H](c2ccc(Cl)cc2)c2cccnc2)c(OC)c1	730430179	RCSWNSOICHFDPU-DEOSSOPVSA-N	423.896	5.184	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1	731040493	VRPPVXYHAARGIJ-RTBURBONSA-N	422.598	5.368	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC[C@@H](O)c2ccc3ccccc3c2)c1	731452539	CMRBBFKNOYWIPH-HHHXNRCGSA-N	408.501	5.114	30	20	HKED	
CC(C)c1ocnc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	732495863	IWQYXBFVXHLJKK-LBPRGKRZSA-N	406.294	5.718	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](Cc2ccccc2)c2ccccc2)ccc1OC	733324243	XQMQKGXPCUZAMS-ZEQRLZLVSA-N	400.522	5.450	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	733622694	XOJHDYWWEHMAMF-UIOOFZCWSA-N	409.533	5.890	30	20	HKED	
FC(F)(F)c1nc(NN=C(CC2CCCCC2)c2ncccn2)c2ccccc2n1	733906235	BLUDFEBUMOXGSH-UHFFFAOYSA-N	414.435	5.225	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc2ccccc2s1	734205272	FZJYQNPAYOAZOH-AWEZNQCLSA-N	415.478	5.238	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	734706649	PRHJUDMWWXPSLA-GHTZIAJQSA-N	408.910	5.344	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1ccc2ccccc2n1	735395777	CEDGIBCZCQPVSY-VQIMIIECSA-N	407.311	5.442	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CSCc2cc(-c3cccs3)on2)n1	747196526	LZGNHTVIXMGKOD-ZDUSSCGKSA-N	403.554	5.093	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	754531357	KXGGSDFNOFTMOL-NOZJJQNGSA-N	407.417	5.290	30	20	HKED	
N#C[C@H](C(=O)CCn1ccc2cc(Cl)ccc21)c1nc2ccccc2n1C(F)F	759220239	CLCWWOGZHYMKQA-OAHLLOKOSA-N	412.827	5.306	30	20	HKED	
N#Cc1cc(NC(=O)CCCn2ccc3cc(Cl)ccc32)c(Cl)c([N+](=O)[O-])c1	764304699	DJOWBNHSSWLAFX-UHFFFAOYSA-N	417.252	5.147	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(cccc2NCc2cccc(OCCCC#N)c2)C1	770567133	KUBMIGBMMHMTNC-UHFFFAOYSA-N	421.541	5.274	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)c1ccccc1	772033647	QWHCWIXPPQPVRA-RXVVDRJESA-N	415.578	5.029	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	773316125	JMUVCUYRZMBOJU-GUYCJALGSA-N	407.461	5.159	30	20	HKED	
CN1C(=O)CCc2cc(/C=C(\C(=O)c3ccccc3)c3nc4ccccc4s3)ccc21	774122904	ZGNXFBWXFDVESM-CAPFRKAQSA-N	424.525	5.629	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	780494564	GNNSZBMHNGBDBY-HNNXBMFYSA-N	417.309	5.033	30	20	HKED	
N#CCCn1cc(/C=C2\CCc3c(sc4ccccc34)C2=O)c(-c2ccncc2)n1	788356150	RMNWNBXRQBSDLO-SAPNQHFASA-N	410.502	5.286	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nccc2ccccc12	792108654	YJXLAUOOJOYEEO-SFHVURJKSA-N	403.894	5.431	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797570415	GHJNSDNZLSPICB-SMDDNHRTSA-N	423.401	5.560	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	799603881	OBZIBBGDFQNDIK-MRXNPFEDSA-N	409.436	5.297	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CCOCC1	800205561	MSVOKLMOCSJZQV-UHFFFAOYSA-N	423.387	5.103	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C\c2ccc(-c3ccncc3)cc2F)C(=O)c2ccccc21	802707009	CNVDJCJBYSDCSN-OOIVEFLKSA-N	401.437	5.204	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nccn1-c1ccccc1	806201109	UJYFYGXHAAOZOJ-CYFREDJKSA-N	421.504	5.410	30	20	HKED	
N#Cc1cccc(COc2ccc(N[C@H]3CCO[C@@H](C(F)(F)F)C3)cc2Cl)c1	809635916	LYAWBPRCMRSDST-QFBILLFUSA-N	410.823	5.312	30	20	HKED	
COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	810195074	WKYUGCBTAGJGQV-UHFFFAOYSA-N	406.825	5.043	30	20	HKED	
C[C@@]12CC[C@H]3[C@H](CC=C4C[C@H](OC(=O)c5cccc(C#N)n5)CC[C@@]43C)[C@@H]1CCC2=O	810601382	UZOUNTAQUZGJLS-KZFSKKMRSA-N	418.537	5.011	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1)c1ccncc1	812048357	SFQRQYJKQCRYOD-IBGZPJMESA-N	404.341	5.595	30	20	HKED	
Cn1cc(/C=C\C(=O)c2ccc(Br)cc2C(F)(F)F)c(C(F)F)n1	812242428	QFKOTFYKTZFTES-DJWKRKHSSA-N	409.152	5.035	30	20	HKED	
COc1cccc(-c2nc(/C=C\C(=O)c3sccc3Br)cs2)c1	915113771	UNNGAHRSAJUIQQ-WAYWQWQTSA-N	406.326	5.539	30	20	HKED	
Cc1ncsc1C(=O)/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	915987394	CAKZHDXMRXAISN-YVMONPNESA-N	417.317	5.907	30	20	HKED	
O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1Br	916140420	SVAOBBBFUDDLGH-VMPITWQZSA-N	411.049	5.016	30	20	HKED	
CCc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916905322	MZZYHVPRQIMWRF-JOCHJYFZSA-N	412.489	5.321	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc2ccccc2c1Cl	916915067	CDTCINQGDLOHJA-INIZCTEOSA-N	404.878	5.669	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(F)c(Cl)c3)cs2)cc1	920068138	KDAPYHFOJIVYAH-OQFOIZHKSA-N	403.862	5.419	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(F)cc4)CCC3)n2)cc1	920143949	VDTTVBKCJVRWQY-LJQANCHMSA-N	406.482	5.256	30	20	HKED	
CCCc1cc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc(O)n1	1558999704	IKIKMKCHHITHTL-UHFFFAOYSA-N	424.316	5.281	30	20	HKED	
C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1-c1ccc(C)cc1)C2	1801640573	LLYAHSYWLXKTLD-XBYSBRQOSA-N	416.565	5.126	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)[nH]n1	1814442936	BDRHRPKCTMMFMS-QUCCMNQESA-N	412.578	5.163	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2cccc(C)c2C)c1	10168094	LFRIMRNQILHJJB-UHFFFAOYSA-O	417.598	6.074	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)c(C)n1C	11126692	QPXIMRWOWIKMHF-UHFFFAOYSA-O	414.554	5.134	30	20	HKED	
CCCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccncc1	22413509	KGMQCYATXQIWHT-UHFFFAOYSA-N	411.534	5.581	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2c(C)cccc2C)c1	22693864	FMWJLILULIEXIO-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)Cc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)cc1	25104010	PPVHUVNKEIFDSX-UHFFFAOYSA-N	423.520	5.132	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccco3)n2)nnc1-c1ccc(OC)cc1	25352800	XHBMDAUSQZANCK-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2ccccc2s1	48823497	ZNEHAXRNIOSVTE-OAHLLOKOSA-N	403.488	5.100	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3ccccc3)nc2)cc1	109320675	ASLZKWHWQWZWLC-UHFFFAOYSA-N	420.472	5.041	30	20	HKED	
N#C[C@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc2ccccc2n1C(F)F	195557452	LQZXFGLEPQUOFP-MRXNPFEDSA-N	415.399	5.545	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2cc(Br)cs2)c1	236592475	WGAYFNLRRUCNKY-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](c2ccccc2)O1	303315857	GRYQNQCQYKEEAX-HOYKHHGWSA-N	413.477	5.344	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccccc1OC(F)(F)F	303340859	YMLRQBQVCWAOJS-AWEZNQCLSA-N	408.445	5.408	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1	303373514	KPRMYIWWGMXEBG-MSOLQXFVSA-N	421.566	5.849	30	20	HKED	
CCc1cccc2c(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c[nH]c12	303414893	SCMYUSPKWVIOQE-UHFFFAOYSA-N	423.516	5.671	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1	431811784	KFOMOXLAKIAASO-HSZRJFAPSA-N	418.541	5.050	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C(/Cc2ccccc2)c2nc(=O)cc[nH]2)c1	432710530	WPLWKVPRUPJXPM-JLPGSUDCSA-N	419.484	5.004	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	433148374	AMFIDGHXMMYQFJ-KCWXNJEJSA-N	411.571	5.290	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1	436071166	XINYUGYLDXAYGP-NSHDSACASA-N	400.265	5.320	30	20	HKED	
CC(C)[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccnc1	436124205	AJIWRFMQNWOLJL-GGAORHGYSA-N	403.913	5.769	30	20	HKED	
C[C@H](C1CC1)N(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CC1	437967094	YNQPYHCVKDPPPP-OAHLLOKOSA-N	409.917	5.585	30	20	HKED	
C[C@H](Nc1cccc(COc2cccc(F)c2)c1)C(=O)N(CCC#N)c1ccccc1	439544293	CEFRULBZLCAQHZ-IBGZPJMESA-N	417.484	5.152	30	20	HKED	
C[C@@H]1CCC[C@H](OCc2cccc(N[C@H](C)C(=O)N(CCC#N)c3ccccc3)c2)C1	439573375	SELIAYMUHRKGHF-OTPAQWSUSA-N	419.569	5.529	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C[C@@H]1c1cccc(F)c1	444174727	XSOAEFREBNHNOC-LLGFUMIMSA-N	411.546	5.242	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)c1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1	463053365	KYDARAMOZPTTTM-KRWDZBQOSA-N	424.460	5.067	30	20	HKED	
C=CCN(CC=C)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	463266957	PECAVAGSRNKWHG-UKHBAXEESA-N	409.414	5.309	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	466072779	DGCILZVMVFXDBZ-KXBFYZLASA-N	424.035	5.244	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)Nc1ccc(N(C)C(=O)[C@H](C)CC(=C)C)c(Br)c1	466870111	IZBXSQYRZZXIFI-HZPDHXFCSA-N	421.379	5.555	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C	470349443	JAFNAXXAZUMNTD-IBGZPJMESA-N	417.431	5.854	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	470356999	WNQCGMGCRVVPKM-SFHVURJKSA-N	403.404	5.545	30	20	HKED	
CCc1cnc(CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1	474464592	QYSLXHGVROJAQW-UHFFFAOYSA-N	411.914	5.295	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1	476118885	OGJYHGWBSYZPQX-UHFFFAOYSA-N	410.602	5.732	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	477719531	MGUVSXQIUIOHDS-UHFFFAOYSA-N	423.904	5.527	30	20	HKED	
CC(C)c1c(NC(=O)CSc2ccc(C#N)cc2)cnn1-c1ccccc1Cl	482690151	HIXDYOULWXKVET-UHFFFAOYSA-N	410.930	5.252	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2)cs1	483214600	YRMPZPZFNGBDAQ-NRFANRHFSA-N	415.543	5.782	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1	483288514	YSNBLMRGPNPPMI-BWAGFHJFSA-N	418.459	5.283	30	20	HKED	
O=C(NCC1(C(F)(F)F)CCC1)Nc1ccc(F)cc1OCCC(F)(F)F	485544502	MZNRBTODSHKLAU-UHFFFAOYSA-N	402.310	5.011	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccccc1	488361893	DDPVBOFWRVMYEE-HNNXBMFYSA-N	401.944	5.641	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1cc(Cl)ccc1Cl	488819959	SEYIKDMFGHCEJH-QMMMGPOBSA-N	420.243	5.398	30	20	HKED	
COc1ccc(CNCC(C)(C)c2ccc(F)cc2Cl)cc1OCCCC#N	500888138	AAGNFXDUDXZXRA-UHFFFAOYSA-N	404.913	5.238	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)cs1	502765624	KNJNPBWYDQQTFW-UHFFFAOYSA-N	409.536	5.095	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)cc2)cc1	503259535	LPTJFEPEUUZBAZ-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	504930962	UXHLUDWRAAPQIV-NRFANRHFSA-N	411.958	5.478	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	512975945	RDLGSBJNKXCONJ-CYBMUJFWSA-N	408.533	5.189	30	20	HKED	
COc1ccc(C)c2c1N(C(=O)c1cccc(COc3ccccc3C#N)c1)CCC2	513238421	MJIIWZCQKJFEQU-UHFFFAOYSA-N	412.489	5.047	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1	514894917	XOYVWBZVLLJLOT-QFIPXVFZSA-N	403.482	5.156	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-]	515546831	FFYAPTJHCUCEPV-CYBMUJFWSA-N	413.886	5.645	30	20	HKED	
Cc1noc2nc(C(C)C)cc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c12	515697605	JJRQFXWULDCQHO-UHFFFAOYSA-N	402.479	5.507	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cnn1-c1ccc(Cl)cc1	517605176	JAPIYCDOCYATCO-SFHVURJKSA-N	419.699	5.136	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc12	518533675	NFTFLWPSVCNTIS-GOSISDBHSA-N	406.898	5.044	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1	519990757	WAVRXTNOILSHPK-UHFFFAOYSA-N	418.541	5.328	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(OC(F)F)cc1	519997026	PINBZGAEPLCJEO-HNNXBMFYSA-N	423.419	5.391	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1	521422944	MDMFPFSLQQHWBY-UHFFFAOYSA-N	418.522	5.315	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C1CCCCC1	522332392	PJZKTEPCWXLDMY-LAUBAEHRSA-N	421.570	5.170	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C(F)(F)F)c1	523111283	JWROGLJEDJUQHM-OAHLLOKOSA-N	416.378	5.150	30	20	HKED	
C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2S1	533013077	MJHSLQHDHXOQMV-SJORKVTESA-N	411.596	5.268	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1Cl	533347246	DQAHJGFWJPRISC-CQSZACIVSA-N	422.381	5.458	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c1C#N	534593919	FVAUDLLPEFGNOG-UHFFFAOYSA-N	403.507	5.020	30	20	HKED	
N#CCCn1cc(CNc2ccccc2OCC(F)(F)F)c(-c2ccccc2)n1	535843157	LRHYCUUZQLDQTL-UHFFFAOYSA-N	400.404	5.017	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ccccc1SCCC#N	538809894	MGOJFFOUFKWPCT-UHFFFAOYSA-N	421.591	6.036	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1	539765157	KHUBXZULUVQQLB-GOSISDBHSA-N	420.561	5.065	30	20	HKED	
CC(C)COc1ccccc1[C@H](CC(C)C)NCc1nnc(-c2cccc(C#N)c2)o1	540479151	XBTMJCWKVSKHLP-QFIPXVFZSA-N	418.541	5.520	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	541148706	BEFSXYNUUUIIMC-RIEVBORMSA-N	411.505	5.116	30	20	HKED	
N#CCC1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)CC1	543828201	PCJDTELPKKWDNE-UHFFFAOYSA-N	407.408	5.220	30	20	HKED	
N#Cc1ccc(Oc2cccc(-c3nc(-c4ccccc4NC(=O)C4CC4)no3)c2)cc1	544977747	LLOSRVZRVMBEDB-UHFFFAOYSA-N	422.444	5.416	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1	547418653	DZRJSDZZCBFDPU-UHFFFAOYSA-N	409.445	5.450	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	554877482	JJMYTXUYCDTCOU-KRWDZBQOSA-N	416.550	5.877	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3Cc4cccc(Cl)c4C3)c2)c1	558311847	KOCNPWNRKASJIE-UHFFFAOYSA-N	416.868	5.012	30	20	HKED	
COCc1ncsc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	560231002	MUZARJOLCFXUQN-LLVKDONJSA-N	424.334	5.210	30	20	HKED	
C=CCOc1ccc(CN(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1Cl	560558489	CISDBDLTHGMMNQ-UHFFFAOYSA-N	415.921	5.317	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1	564545317	KSEXUPFQCFFYFZ-HYBUGGRVSA-N	414.530	5.217	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)cc1	566531879	GIUGAVVQTGXASL-UYAOXDASSA-N	412.493	5.464	30	20	HKED	
N#CCCC[C@@H](NCc1ccc(Br)cc1C(F)(F)F)c1ccccc1	569250156	YACNUMOUPGUQEF-GOSISDBHSA-N	411.265	5.993	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CNc2ccc(Oc3cccnc3)cc2)ccc1Cl	571718049	LAVZIPCNJCQPHO-UHFFFAOYSA-N	420.900	5.195	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1	572996028	FPILQDCDNDOKBE-UHFFFAOYSA-N	422.573	5.201	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1C	579940022	XMCYGWUDJXCEMB-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2cccc3ccccc23)cc1C	604450527	HELGKSKKFZEVAH-UHFFFAOYSA-N	422.532	5.206	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1	609304448	GCKQKUAYCPXYDI-UHFFFAOYSA-N	401.466	5.545	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Oc2ccccn2)cc1	609376460	AOWHOKJDUWURJO-KRWDZBQOSA-N	419.506	5.143	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cc2)c1	609429482	CZXUVQUPQBMXDZ-UHFFFAOYSA-N	407.433	5.136	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(O)nc4ccc(F)cc34)c2C#N)C1	609966219	PXHGIDSFDLMHMJ-GFCCVEGCSA-N	423.513	5.416	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)s2)c(C)c1	610598553	UBWCSUOFRAICSZ-LEWJYISDSA-N	401.535	5.339	30	20	HKED	
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN2CCC[C@@](C)(C#N)C2)cs1	612161266	RCJAPOUKCOUGST-IBGZPJMESA-N	423.369	5.260	30	20	HKED	
O=C(Nc1c(F)cccc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	613383172	FBAAAWDRAZNOLE-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
C=CCn1c(SCc2cccc(OC(C)C)c2)nnc1[C@@H]1COc2ccccc2O1	643193913	CXQVGQDYCBFMPD-NRFANRHFSA-N	423.538	5.056	30	20	HKED	
Fc1cc(F)cc(C2CC(NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)C2)c1	685421294	ZEUBZKJJQDRJQX-WVIDZAQPSA-N	401.341	5.710	30	20	HKED	
O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1csc(-c2c(F)cccc2F)n1	726219529	OTULKDSNFAKVSE-UHFFFAOYSA-N	421.293	5.141	30	20	HKED	
Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)cc1	726570635	HODXUGZEDGHOPN-UHFFFAOYSA-O	420.945	5.439	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1cccc(C)c1C	728061966	CGLAZJJJPLXKDP-FQEVSTJZSA-N	413.521	5.502	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C/c3ccc4ccccc4n3)cc2F)c1	728187002	PFEOUWVLTOGGBG-ACCUITESSA-N	423.447	5.476	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3ccc(O[C@@H](C)C#N)cc3)s2)cc1	728697409	FQGQOSKKKBHXMC-NNSJBKGDSA-N	404.491	5.314	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)cc1	729123743	JYELBZNEASTWCY-UHFFFAOYSA-N	412.489	5.064	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)N[C@H](C)c1ccc(Cl)cc1Cl	730954961	PZBVRVSHWAOWBU-CHWSQXEVSA-N	424.422	6.293	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2sccc2s1	731074111	NXDFTVGABIZTQI-LBPRGKRZSA-N	416.549	5.010	30	20	HKED	
O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)C(F)F)cc1	735232965	XROJJYBJGMRLRM-WAPJZHGLSA-N	424.774	5.251	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(CC)[C@@H](CC)Cc2ccc(C)cc2)c1=S	742177659	LIBVEGNRMFJNSK-QFIPXVFZSA-N	421.614	5.271	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c[nH]c12	744033088	MMCQVQDYRBXJAF-GOSISDBHSA-N	414.292	5.063	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@]34CCCc3ccccc34)n2)cc1	744062704	VVEGPBLJAQGLNC-DZRGJMJISA-N	414.530	5.289	30	20	HKED	
N#Cc1ccccc1N1CCC(NC(=O)c2cc(-c3ccccc3)ccc2Cl)CC1	749532505	BAZSRBGYWYGXGU-UHFFFAOYSA-N	415.924	5.277	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1	751005483	SUMKYRWHOOCVGI-NUJGCVRESA-N	415.584	5.262	30	20	HKED	
CC(C)(CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1	754531861	NJNOFFYJCOWINR-MRXNPFEDSA-N	403.309	5.399	30	20	HKED	
O=C1/C(=C\c2ccc(Cl)nc2Cl)COC/C1=C\c1ccc(Cl)nc1Cl	761479768	NIJARZNITIRQIK-JTAXDKCCSA-N	416.091	5.157	30	20	HKED	
CCCOc1ccc(/C=C\C(=O)c2cc(Br)ncc2F)cc1OCC	762421617	KASIOTAUONZZOF-ALCCZGGFSA-N	408.267	5.067	30	20	HKED	
Cc1cccc2c(CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c[nH]c12	764753662	UPDHQDVUZFXLBM-UHFFFAOYSA-N	417.296	5.123	30	20	HKED	
Cc1nn2c(C=NNc3nc(Cl)c(Cl)cc3Cl)c(C(C)C)nc2s1	766687407	LMNVTUUJUXYHAS-UHFFFAOYSA-N	403.726	5.024	30	20	HKED	
Cc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1Br	767899560	LCEKCUPBXDWIPN-UHFFFAOYSA-N	421.751	5.177	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc2ccsc12	767961724	ZSIHAFMTCKJCLU-HNNXBMFYSA-N	402.447	5.177	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	769123250	XZSALBQJPMLZEZ-CRAIPNDOSA-N	404.457	5.387	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc2nccn12)C(=O)c1ccccc1	769607428	KKBXAUBKGNQDTO-PTGBLXJZSA-N	423.516	5.364	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	773983490	XAXGSRFWMUHUBG-RRGWEWPQSA-N	414.317	5.710	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cn(C)c2ccccc12	774018314	SLWKHFBVDGLJJT-UKRRQHHQSA-N	421.472	5.560	30	20	HKED	
C[C@@H](N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(OCC#N)cc1	776154106	PCERGSBSECEUFW-CJAUYULYSA-N	402.563	5.969	30	20	HKED	
N#CCc1ccccc1CC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl	776961095	YMPVUTCIBXGWJB-HSZRJFAPSA-N	410.851	5.133	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc2c(c1)COC2	777892162	XECVFWCJBPGOOJ-UHFFFAOYSA-N	413.930	5.019	30	20	HKED	
N#C[C@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F	778606376	GCJDCVUQPMNACE-MRXNPFEDSA-N	413.399	5.190	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	779712903	NPZTXBCCXVEVKL-NWDGAFQWSA-N	403.269	5.507	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	780154581	VWFXJTHEOYISQE-QRQCRPRQSA-N	424.472	5.728	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1	780486039	OYFFDGUKWZECAX-NLFFAJNJSA-N	411.505	5.275	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc2ccccc2s1	781443942	DSYVZRBQUOYONB-AWEZNQCLSA-N	404.388	5.362	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC[C@H](C#N)Cc1ccccc1	781818411	VZJLETLBRIYKTI-HNNXBMFYSA-N	415.276	5.496	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(O)(c2cccc(C)c2C)CC1	789451365	XCTWMSCWQASLGG-UHFFFAOYSA-N	406.570	5.671	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cc(C)c(Br)s2)cc1OCCCC#N	794732721	JIZDPRAGEPRERO-FNORWQNLSA-N	420.328	5.406	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	794979660	NBTVEVGIUVZWRI-UHFFFAOYSA-N	422.842	5.119	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(Cc2ccc(Cl)cc2)no1	796041401	RLCVZQDYHGWZMK-CQSZACIVSA-N	409.873	5.033	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c(Cl)c1	800590996	PTJOZGBVLPAITH-UHFFFAOYSA-N	423.605	5.712	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C2SCCS2)c1	806173780	DITNLNMIJSHTHA-UHFFFAOYSA-N	416.616	5.553	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813216191	OKOAFMUADWHBAK-MRXNPFEDSA-N	419.403	5.246	30	20	HKED	
C=CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)C(C)C	915153708	TUGIJRYRNUVIQC-UHFFFAOYSA-N	420.460	5.051	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1	915862058	IPWZXLSFTZHPBW-SVBPBHIXSA-N	418.496	6.101	30	20	HKED	
O=C(/C=C\c1c(Cl)nc2sccn12)c1cc2cc(Br)ccc2o1	916130122	IPTGBJHGDWGDTH-IHWYPQMZSA-N	407.676	5.454	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)cc1	916913682	RDZIGDUEMHDIRS-OAQYLSRUSA-N	418.518	5.256	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)s2)o1	916917671	FUYBCFJKMFNJOH-QGZVFWFLSA-N	415.474	5.134	30	20	HKED	
COc1ccc2oc(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2c1	919893220	BPGUERFROYPQEG-UHFFFAOYSA-N	412.445	5.975	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc4ccccc4c3)n2)cc1	920143486	WSRWYXOVXIAOKP-QFIPXVFZSA-N	407.498	5.644	30	20	HKED	
Sc1nnc(SCc2ccccc2)n1N=Cc1ccccc1OC1CCCC1	920369542	ZHFSSYQAMMTLFT-UHFFFAOYSA-N	410.568	5.063	30	20	HKED	
CSc1nc(O)c(C(=O)O[C@@H](c2cc(Cl)cc(Cl)c2)C(C)C)cc1C#N	1584500654	JTHDJSQTAGRDII-OAHLLOKOSA-N	411.310	5.242	30	20	HKED	
CC(C)n1c(O)nc2ccc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc21	1633842197	VFWOBJLJMPOCKS-QGZVFWFLSA-N	424.504	5.352	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1	1788738272	YPBNEKINQNZZJZ-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)CSc3c(C)cccc3C)CCC2)cc1	1791588913	JEPOEJWTRZDSMA-UHFFFAOYSA-N	408.567	5.106	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](CC)c3ccccc3)C2)CC1	1809013857	YBEMJJMULRGFPO-ZEQRLZLVSA-N	422.613	5.180	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccccc1	10170522	QBXZMWOSLQBLNX-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12	21861075	MYRFUZTVOCWQEV-INIZCTEOSA-N	409.530	5.341	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1	31917870	BMZMHXBJPRWKKW-UHFFFAOYSA-N	405.523	5.571	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCCN(c2ccccc2C#N)CC1	45954007	LIXJDVVIGNWMEX-UHFFFAOYSA-N	404.558	5.549	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1	72055794	HREPQDKNQHXGMR-UHFFFAOYSA-N	417.534	5.297	30	20	HKED	
COc1cccc([C@@H](CNc2cccc(F)c2C#N)c2c[nH]c3ccccc23)c1OC	302598883	JUXUJPUUNUZHKG-HXUWFJFHSA-N	415.468	5.440	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	303326439	IUGAVQZZSIAXLH-GFCCVEGCSA-N	419.428	5.713	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	303344906	MKMHPTAOAFPOOF-XMMPIXPASA-N	413.477	5.728	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2ccncc2)CC1	429770803	LMWGIISFBHSDFB-UHFFFAOYSA-N	412.493	5.466	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2NC(=O)c2cccs2)s1	430610782	MEDWDQNZHYYRDH-CQSZACIVSA-N	409.536	5.244	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1cccc(CN2CCCCCC2)c1)c1ccccc1	431872118	SOSMNYPJSYXHPQ-VWLOTQADSA-N	418.585	5.297	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)c1	432062628	QIMKTCZAQVCUNS-UHFFFAOYSA-N	424.932	5.263	30	20	HKED	
O=C(NC[C@@H]1CCC(F)(F)C1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	432489264	OORBRQMOZPNQJQ-SKDRFNHKSA-N	404.301	5.043	30	20	HKED	
N#CCCn1cc(CN2CCC[C@@H](CCCc3ccccc3)C2)c(-c2ccncc2)n1	435133147	PJHAQWFRLWDCOE-HSZRJFAPSA-N	413.569	5.094	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)Nc3cccc(CC(F)(F)F)c3)s2)cc1	437515709	NOTIVRQGTUTWFM-UHFFFAOYSA-N	416.428	5.354	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(F)c2)CCOCC1	438056176	QNVFAHRZPBKFPF-MRXNPFEDSA-N	413.518	5.047	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1	438824239	CFEDJIQYRMJZJM-UHFFFAOYSA-N	411.383	5.003	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	439966171	SJBBHVRXHXBZBV-UHFFFAOYSA-N	421.504	5.256	30	20	HKED	
Cc1ccc(Br)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	442674314	XUTNSORYKAQBTL-CYBMUJFWSA-N	405.704	5.511	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C(F)(F)F)c1	447443381	UWAJDSYKYMGUBR-UHFFFAOYSA-N	415.371	5.272	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C	448375563	OPOMLFLHILTNCN-UHFFFAOYSA-N	417.513	5.281	30	20	HKED	
N#Cc1ccc(NC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)cc1C#N	460113437	ZNVROMBAOFCDRW-OAQYLSRUSA-N	405.429	5.180	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1	464950053	IZFSZDVLOLZJMF-GDBMZVCRSA-N	413.955	5.437	30	20	HKED	
CCOc1ccccc1C1=CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	469088895	YAWSAAMVEIMCNC-UHFFFAOYSA-N	413.521	5.273	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2CCN(C3CCCCC3)CC2)cc1	473563800	WTDNGYOVVUQSQK-UHFFFAOYSA-N	421.516	5.017	30	20	HKED	
C=CCOc1ccc(CN(Cc2nc(O)c3oc4ccccc4c3n2)C(C)(C)C)cc1	474171130	FIGVONRXSAXOHI-UHFFFAOYSA-N	417.509	5.447	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)C[C@H](CC#N)c1ccccc1	474692410	NLUZMLGJUBVIRR-FQEVSTJZSA-N	404.535	5.373	30	20	HKED	
COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	474712860	MYKNDDWODJWOEQ-QFIPXVFZSA-N	415.493	5.072	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1	476152676	LZNRGAQADOFZCX-UHFFFAOYSA-N	404.510	5.773	30	20	HKED	
N#CC1CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)CC1	476950441	HZJZKGWAKGZVMX-UHFFFAOYSA-N	424.715	6.207	30	20	HKED	
COc1cc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F	481691075	FMCGWQYTHACNQO-UHFFFAOYSA-N	421.447	5.388	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(Br)cc1	482525236	CFLDUNCOFGLSCP-CQSZACIVSA-N	403.345	5.415	30	20	HKED	
CCc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cnn1C(CC)CC	482697114	UPAFNKRCVXZNBQ-UHFFFAOYSA-N	418.566	6.082	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nccc2ccccc12	483197319	KNWNBWZTDHBAJK-INIZCTEOSA-N	416.893	5.319	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483236557	UYGHFJNWUZRXBT-IBGZPJMESA-N	417.465	5.208	30	20	HKED	
CCOc1ccc(-c2nc(CC)c(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)s2)cc1	483433345	LUMOKRHYETXEKU-MRXNPFEDSA-N	416.506	5.138	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCc3c(Br)ccc(Cl)c32)c1	484330176	MNZCOBBUUKCVFO-UHFFFAOYSA-N	421.747	5.311	30	20	HKED	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	487058904	NBNXZDCZCWLWQS-UHFFFAOYSA-N	412.424	5.441	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccccc1C	488911120	MFMANQCHQJKUEO-KRWDZBQOSA-N	402.523	5.948	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1CCCc1ccccc1	494080123	QHLYRUBYMRTQIC-CTNGQTDRSA-N	407.583	6.100	30	20	HKED	
COc1cc(C)c(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(C)c1C	494986666	FMSDDQQRWYKGJE-UHFFFAOYSA-N	407.514	5.004	30	20	HKED	
CCC(C)(C)[C@@H]1CCc2nc(NC(=O)N(CCC#N)Cc3ccccn3)sc2C1	495476326	QPCUTWMBBVGQHM-MRXNPFEDSA-N	411.575	5.027	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCOc2cc(O)ccc2C1)c1ccc(C(F)(F)F)cc1	500102860	PKVBILKIQBJSHY-IBGZPJMESA-N	420.431	5.023	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1	505331234	OXKSCWXRABTUHB-MRXNPFEDSA-N	422.287	5.112	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F)c1c(Cl)cccc1Cl	505505114	DIAAKNZGYWLSLV-HUBLWGQQSA-N	411.235	5.079	30	20	HKED	
COc1ccc([C@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)cc1	506634621	IYJLMBUXYCRZKR-FQEVSTJZSA-N	413.477	5.381	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1	508595968	PYOIVGSOXUVANS-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
C=CCn1c(SCCc2cccnc2)nc2scc(-c3cccs3)c2c1=O	509939823	DKPDDFFMABELKA-UHFFFAOYSA-N	411.577	5.102	30	20	HKED	
Cc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccccc2n1	512894240	IMHKSRVEJJRBRB-CYBMUJFWSA-N	422.579	5.260	30	20	HKED	
CC(C)(c1ccc(Br)cc1)c1noc(C[C@@H](CC#N)c2ccccc2)n1	515538358	WOOXWJVNWBRNAF-MRXNPFEDSA-N	410.315	5.398	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C#Cc2ccccc2)cc1)c1nc(-c2ccncc2)cs1	516764990	GDDHKEXITNHRJQ-JOCHJYFZSA-N	405.482	5.095	30	20	HKED	
CN(CCc1ccc(Br)cc1)C(=O)c1ccccc1-c1ccccc1C#N	517358346	VTCASMOLECUPDK-UHFFFAOYSA-N	419.322	5.302	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	517667063	NHSFMKPMBNVMTC-UHFFFAOYSA-N	417.292	5.452	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(F)cc1C(F)(F)F	520755519	ZAWFHPWXUSCODG-UHFFFAOYSA-N	408.317	5.205	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)c1ccccc1Cl	520856407	DDYBPYAPBAAUQV-HNNXBMFYSA-N	401.963	5.691	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)cc1	521746613	LYTKCFMAXHFFJQ-SFHVURJKSA-N	415.493	5.422	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2)c1	522480969	RTOYPXVDYZXLAZ-HXUWFJFHSA-N	409.470	5.237	30	20	HKED	
CCOc1ccc(OC)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	522640741	WMAYIYSAEYCYBR-UHFFFAOYSA-N	422.868	5.664	30	20	HKED	
CCCN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H](C)c1ccccc1OC	523594426	OKNCHIUUQSCFRP-HXUWFJFHSA-N	413.521	5.495	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1	523708113	HWHFEASQMIAAAQ-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1-c1nc(C(C)C)no1	524318056	QIVPCCWWYACAJX-UHFFFAOYSA-N	402.498	5.030	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	524959014	IBWGQLYCFNYQPM-UHFFFAOYSA-N	414.465	5.162	30	20	HKED	
Cc1cccc2c(CCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c[nH]c12	525570687	QAOVRXNEEBEZAW-VWLOTQADSA-N	423.516	5.369	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccn(CC(F)F)n3)cc2Cl)cc1	525841070	DVTKRMQKBSCGNV-UHFFFAOYSA-N	417.803	5.110	30	20	HKED	
Cc1ncc(-c2ccccc2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	536318011	MGOXYRVSYOSFEG-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
C=CCCOCCCCC(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1	538266539	VZLKCDOGIXNJFU-UHFFFAOYSA-N	416.953	5.026	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1	539460933	KZHNJSPWQZOVAW-CFSSXQINSA-N	417.481	5.011	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)n1	542962053	MVQASRQXWKTNOU-IBGZPJMESA-N	423.879	5.296	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)Nc3ccccc3SCCC#N)cc2c1	542970973	BNNKGKRYCRAHLK-UHFFFAOYSA-N	415.312	5.762	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CC2CCC(C(F)(F)F)CC2)cc1	543095050	KAYFIOYGNPIVDI-UHFFFAOYSA-N	406.370	5.208	30	20	HKED	
CCO[C@H](c1ccc(C)cc1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1	545116809	DIIOTVKACDSCCH-QDGLUTFLSA-N	412.493	5.543	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(C#N)cc1	548513587	SYNGFYQVJFDENB-ZBEGNZNMSA-N	415.337	5.241	30	20	HKED	
N#CCCC[C@H](N[C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1ccccc1	550827128	KNEAMSHEDFOVNE-DPLHUUCSSA-N	415.537	5.009	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	553105056	WXAIFJNCHOUUAU-MOPGFXCFSA-N	421.463	5.071	30	20	HKED	
Cc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(Sc2ccccc2)c1	554542166	SJHMAPQXIVUYMD-UHFFFAOYSA-N	413.546	5.239	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(F)(F)F	554763770	KIFLCYWSUXBNSG-AWEZNQCLSA-N	403.404	5.084	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(N2CCCCCC2)c1	558374500	NCKFDKPJGLKBJM-UHFFFAOYSA-N	409.578	5.455	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccccc1	558773251	XOMQVLHXGKIKLI-WOJBJXKFSA-N	401.432	5.501	30	20	HKED	
Cc1ccc([C@H](c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)C(C)C)cc1	572919897	DNTWVANITRMTBS-XMMPIXPASA-N	416.525	5.045	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)s2)cc1	576901885	HXXNCEONINCNND-LBPRGKRZSA-N	409.536	5.129	30	20	HKED	
C=CCC(C)(C)c1noc(/C=C\c2csc(N(C(C)=O)c3ccccc3F)n2)n1	582978989	HGPRNAHCLUJZOP-KHPPLWFESA-N	412.490	5.374	30	20	HKED	
N#CCCSc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1	592484122	KHEAPGCVAAJAGM-UHFFFAOYSA-N	418.360	5.055	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1	603658250	VSPIMRKXUHESPI-OAQYLSRUSA-N	410.949	5.100	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)cc1	603691058	XKPYJIPTRGNADA-HSZRJFAPSA-N	414.465	5.027	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCCCc2ccccc2)cc1	603831525	DJEMHAWNOBYMLY-UHFFFAOYSA-N	413.521	5.476	30	20	HKED	
N#CCN(C(=O)c1sc2ccccc2c1CSc1ccccc1Cl)C1CC1	608806871	SQQPUSZUEINPET-UHFFFAOYSA-N	412.967	5.975	30	20	HKED	
Cc1cccc(OCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609061914	KAXJUAUGNJLCSU-UHFFFAOYSA-N	400.478	5.162	30	20	HKED	
N#Cc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1F	609102305	LVAWMCYTRVQICE-UHFFFAOYSA-N	404.228	5.230	30	20	HKED	
N#Cc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c(F)c1	609229414	NFTAIGAWIFZHMT-UHFFFAOYSA-N	415.399	5.088	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccccc1OC(F)F	609815558	UAHHTDAFBSFZCI-UHFFFAOYSA-N	408.404	5.442	30	20	HKED	
COc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1Cl	610361743	JPFLVMLTVPXUMP-MRXNPFEDSA-N	420.896	5.290	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(Nc2cccc(Br)c2)s1	611141187	LCDWWGJIMGGKJU-HNNXBMFYSA-N	417.357	5.271	30	20	HKED	
CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCCO[C@H]1c1ccccc1	611266769	KXPBJXOBBDQCFW-OZXSUGGESA-N	414.553	5.063	30	20	HKED	
N#Cc1ccc(-c2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)cn1	612979085	UXGHQAJHZXPZDI-UHFFFAOYSA-N	410.220	5.164	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1CCc1ccccc1)c1nc2ccccc2n1C(F)F	613401884	QGGKUQJZJSPFMA-FQEVSTJZSA-N	415.443	5.707	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)s1	613407054	GDBOPMGQNWSPFV-AWEZNQCLSA-N	409.923	5.872	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	613407634	ZYQVBUUFWYHXRL-RLCCDNCMSA-N	409.898	5.034	30	20	HKED	
C=CCOc1ccccc1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	615121504	RCPDQVGFIHPRQM-KRWDZBQOSA-N	418.468	5.134	30	20	HKED	
CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	619791850	DVXWDSXIBYKHMS-UHFFFAOYSA-N	417.421	5.218	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)c1	726732966	NJXKMBJVCPUOPV-SFHVURJKSA-N	408.910	5.647	30	20	HKED	
C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)cc1	729578882	ZVEMYEPUMIJZJY-INIZCTEOSA-N	420.513	5.129	30	20	HKED	
COc1cc(/C=C/C(=O)c2c[nH]c3cc(Br)ccc23)cc(Cl)c1O	729937508	URCBDYYXGKJQNU-GORDUTHDSA-N	406.663	5.194	30	20	HKED	
CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)Cc1ccc(OCC#N)cc1	731980199	UAOYONFPILCQPR-UHFFFAOYSA-N	422.525	5.436	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)c1	733787642	SWWWLIDDAXXRNW-WMZHIEFXSA-N	415.537	5.325	30	20	HKED	
O=C(/C=C\c1ccc(-c2cccc(F)c2)s1)c1ccc(N2CCC(O)CC2)cc1	734235313	KYSAPRLEYKRLFR-NTMALXAHSA-N	407.510	5.411	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc(CCC)cc1)c1cccs1)c1ccncc1	734655926	XEQRLZTZSXJFNZ-GGAORHGYSA-N	405.567	5.802	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1cccc(C#N)c1	743110746	SAWNRAPEURAEME-CJNGLKHVSA-N	420.365	5.727	30	20	HKED	
Cn1cc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21	744938739	NVXWHSUBYHSWFU-HNNXBMFYSA-N	413.424	5.226	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)c1ccccc1	746658688	GFJCOBACHFRFQJ-NLFFAJNJSA-N	413.521	5.584	30	20	HKED	
CCCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)c1ccc(C)o1	746661014	WVMRHVAGPXABCP-YKSBVNFPSA-N	415.537	6.639	30	20	HKED	
CN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1c2ccccc2-c2ccccc21	747968346	CKMSFVFYNQCYRB-FQEVSTJZSA-N	409.514	5.174	30	20	HKED	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	748943654	XGAWEJCGIVIEQK-JWQCQUIFSA-N	413.521	5.238	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1C	750908942	JEKUZEKBMBHSAX-KTKRTIGZSA-N	405.445	5.558	30	20	HKED	
C[C@@H](C#N)CN(Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S)C1CC1	753976124	CYISNIBMGJOWFF-HNNXBMFYSA-N	415.994	5.431	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C(F)F)c2Cl)ccc1OC	758219490	HQPCSIWFFZKUCJ-CYBMUJFWSA-N	423.847	5.289	30	20	HKED	
N#C[C@@H](C(=O)C1Cc2ccccc2C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	763942368	IYMNAYUBCCLWAE-KRWDZBQOSA-N	413.329	5.708	30	20	HKED	
Cn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1=S	765046976	IPZZXCVBKVPRMU-WOJBJXKFSA-N	423.973	5.001	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC[C@H](C)c2cccc(Br)c2)ccc1OC	767382363	IDDVDXRWOKUIDH-KXBFYZLASA-N	417.347	5.032	30	20	HKED	
CCc1nc(C(=O)OCCCCC(C)(C)C#N)nn1-c1c(Cl)cccc1Cl	768649263	PLHLBYRBXACSFD-UHFFFAOYSA-N	409.317	5.013	30	20	HKED	
Sc1nnc([C@@H]2CCCCO2)n1N=Cc1c(Cl)cccc1Oc1ccccc1	769586122	OOIOLLHFLICPHX-SFHVURJKSA-N	414.918	5.136	30	20	HKED	
C[C@@H](NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccc(OCC#N)cc1	776164420	QXVOVGAYOZHKOH-LLVKDONJSA-N	401.240	5.348	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)Nc2cc(C(=O)N3CCCC3)ccc2OC)cc1	777657443	DQQJASVIGRWAHT-QGZVFWFLSA-N	414.933	5.236	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3c[nH]nc3-c3cccs3)cc2F)c1	779596006	RASMJPGTOPPNKY-UHFFFAOYSA-N	404.470	5.340	30	20	HKED	
C[C@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	782916954	BIYYCRSTVORBSB-LURJTMIESA-N	406.763	5.026	30	20	HKED	
N#C[C@@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1	783357556	UGIOGLPCQCQWQV-NWHVRFAMSA-N	421.246	5.400	30	20	HKED	
O=C1CCC(=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c2ccccc2N1	783817775	ZNEILDWVRACFKT-UHFFFAOYSA-N	417.469	5.046	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](CC)c2ccccc2)c(Cl)c1	787037088	KJIBADLIJCEXPS-FPOVZHCZSA-N	412.917	5.109	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1nnc(-c2ccccn2)s1	788031105	VNWDZAWQAUBXSK-UHFFFAOYSA-N	423.933	5.009	30	20	HKED	
C[C@]12CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C[C@H]1C2(Cl)Cl	790732630	SOLHBFFGRXXYCA-MJGOQNOKSA-N	420.365	5.012	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(SCC(F)F)cc2)cn1	792883315	CPWQHMWOOPPWGC-WDZFZDKYSA-N	412.461	5.406	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccc(Br)cc1	797566265	DLSOARIYGFGQAO-WFASDCNBSA-N	405.361	5.573	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C	798057425	PFWALNSCZWINPL-UHFFFAOYSA-N	401.422	5.090	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1	800506761	YVYSCOHNXSTGLS-XXBNENTESA-N	408.929	5.072	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1Cl	801073027	OQJIJTKIHUAVAC-GOSISDBHSA-N	407.823	5.277	30	20	HKED	
COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)C2	810157721	CVOVNCQJOJUVSJ-XMMPIXPASA-N	423.516	5.430	30	20	HKED	
C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC	810233944	SZYJTOUWZKYCAO-FNORWQNLSA-N	421.262	5.066	30	20	HKED	
O=C(/C=C/c1nccn1Cc1ccccc1)c1c[nH]c2ccc(Br)cc12	811696967	IHDJCJIDABEOSJ-CMDGGOBGSA-N	406.283	5.071	30	20	HKED	
Cc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c(C)n1CC(C)C	916309370	GTTCVJJKQWMNPI-UHFFFAOYSA-N	418.566	5.390	30	20	HKED	
Sc1nnc([C@@H]2CCCO2)n1N=Cc1c2ccccc2c(Cl)c2ccccc12	916368058	VTUFANSLZPJWAZ-SFHVURJKSA-N	408.914	5.260	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2s1	916847586	KIOCZSWFUDIZSY-ZYHUDNBSSA-N	407.347	5.960	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCC1)c1nc2cc(Cl)ccc2s1	917047242	URLLOCXIQFLZTO-HNNXBMFYSA-N	401.318	5.901	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3F)n2)cc1	920792678	WOKRKOJAMGYSOV-SFHVURJKSA-N	421.497	5.253	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1	1831367036	DTCZAGGDPOPWBD-GVXSCFBNSA-N	424.629	5.258	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1	1831374684	RWJJQHALCNQUHC-NFBKMPQASA-N	416.650	5.425	30	20	HKED	
CCc1ccc(-c2noc(CSc3nc(C)cc(C(F)(F)F)c3C#N)n2)cc1	10399275	MQNCFUFELPERCF-UHFFFAOYSA-N	404.417	5.185	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nc2sccc2c1=O	36828126	RSLGBSUMHOBMIT-UHFFFAOYSA-N	415.540	5.199	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	43078611	WLMGAFKGEVJRQD-QHCPKHFHSA-N	408.505	5.013	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)c12	49656204	OGBMPOBDCKEKES-OAHLLOKOSA-N	402.498	5.148	30	20	HKED	
COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC[C@@H](C#N)CCC#N	53727060	CRCGCIQTDIESEM-GOSISDBHSA-N	413.477	5.231	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1	62375478	IWAFFSQRHGFVTE-UHFFFAOYSA-N	405.586	5.714	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	63391343	HMQZQGYQFLQDMM-UHFFFAOYSA-N	424.504	5.339	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1C	142937321	WTKVYPNVHWCDPP-UHFFFAOYSA-N	417.465	5.030	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C	302982457	DGOPTTLRCNBELO-UHFFFAOYSA-N	424.614	5.718	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](c3ccccc3)c3nccs3)c2)cc1	303237255	YHYJTILKOOLUAS-QFIPXVFZSA-N	411.486	5.326	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1	409717157	OOKICCZLRWMNFL-UHFFFAOYSA-N	417.446	5.328	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1Cl	430689956	BMJZRZDUMDTSBW-FQEVSTJZSA-N	414.848	5.354	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1ccccc1	431378065	RCTBSXITOMVSIE-SFHVURJKSA-N	411.374	5.218	30	20	HKED	
COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)cc1C	434891504	IJVRRCJGXJSMNB-UHFFFAOYSA-N	417.484	5.557	30	20	HKED	
C[C@H](c1cccs1)N(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1	435192736	JPIBHDQXJULGNN-GOSISDBHSA-N	421.591	5.566	30	20	HKED	
C[C@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)N(CCC#N)c1ccccc1	439617088	YACKTRKBKKVFFW-NRFANRHFSA-N	413.521	5.151	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1c(F)cccc1F	439645205	JEVQJFLCXGINBI-ZDUSSCGKSA-N	411.383	5.207	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OC1CCCCC1)c1nc2ccccc2n1C(F)F	442682387	JHEBUFLNRJFTOO-KRWDZBQOSA-N	409.436	5.633	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2OC)cc1	443918195	REEYRYUEQCEWDJ-QFIPXVFZSA-N	421.884	5.140	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nc2ccccc2[nH]1	444427871	AZSOWXKBWUQPCV-CYBMUJFWSA-N	411.339	5.212	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(OC(C)C)cc2Cl)c(C#N)c(C)c1C	444512965	MRUSNYCEQOYMSJ-UHFFFAOYSA-N	403.935	5.050	30	20	HKED	
CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	447057591	QPMACELRXRPNDR-GHTZIAJQSA-N	411.571	5.132	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1	460342811	JXBRXIKUKKHJNB-ZWKOTPCHSA-N	420.862	6.114	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(C)s1	460553805	YBZOOSMFTYQTEO-SFHVURJKSA-N	424.570	5.153	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c(F)cc(C(F)(F)F)cc1F	463067742	FLOFQJAHWIYXQN-UHFFFAOYSA-N	403.656	5.908	30	20	HKED	
N#CCCCC(=O)N(c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1	463068571	RXQGWGOUPLZQOY-UHFFFAOYSA-N	413.502	6.447	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)C1(c2cccc(Br)c2)CCCCC1	463410204	IJRXRZAXVMMEIF-UHFFFAOYSA-N	411.343	5.181	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	463506589	KYBABGXERGTKQM-ZJUUUORDSA-N	423.284	5.049	30	20	HKED	
CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	463578807	QVPWTYFIYOIBEE-HYBUGGRVSA-N	406.526	5.256	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	463588053	KKNHXADCSWTVSQ-SJORKVTESA-N	423.394	5.214	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)n2)cc1	464191953	KOLKCEOJSVPAOH-XLIONFOSSA-N	416.550	5.240	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(F)ccc2-c2ccoc2)ccc1OCC(F)(F)F	470833368	RWWMIVBPPCSYAZ-UHFFFAOYSA-N	404.319	5.151	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1C	474451666	ZPXGEGZJQSVBPN-GOSISDBHSA-N	417.538	5.151	30	20	HKED	
N#CC[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccccc1	476301351	CSKQPJYIDIYLEO-ZDUSSCGKSA-N	413.251	5.299	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	476417613	VVNMCORFQUYUAQ-UHFFFAOYSA-N	400.463	5.151	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc2s1	479576101	QORRAGRLRZRRAB-UHFFFAOYSA-N	404.948	5.006	30	20	HKED	
C=C(C)[C@@H](N[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1	481621080	CUCHJBQXCPGYAK-RNODOKPDSA-N	403.860	5.560	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)s1	481889589	HCZMUSFRHKUDFT-HNNXBMFYSA-N	407.564	6.074	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482374041	VUHHNXCLKRBOLP-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(F)F)CC3)cc2Cl)c1	483329350	YAVFYXLCXNNTAE-UHFFFAOYSA-N	419.859	5.300	30	20	HKED	
CN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H](c1ccncc1)c1ccc(Cl)cc1	484611727	DPXFNRIOTPGDCH-NRFANRHFSA-N	421.932	5.416	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2cc(Br)ccc2C1	484657510	UURPXTWDOTXHQB-UHFFFAOYSA-N	413.359	5.891	30	20	HKED	
COC(=O)c1c(F)ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1F	485154742	BGXLLPPXMCVFFA-UHFFFAOYSA-N	424.428	5.027	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccccc1C	488881291	NVDZZVBUEQHJRF-FQEVSTJZSA-N	424.545	5.334	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	490536063	AHLNQXNTTTVYGD-UHFFFAOYSA-N	411.889	5.170	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C	496627820	DJBMCCZTJRSDRF-UHFFFAOYSA-N	408.546	5.082	30	20	HKED	
COc1ccc2c(c1)c(B1OC(C)(C)C(C)(C)O1)c(C)n2[Si](C)(C)C(C)(C)C	498036337	AXRIXTCAOIKONW-UHFFFAOYSA-N	401.432	5.111	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3ccccc3Cl)s2)cc1	499932470	STQRYQDHMBAERD-SFHVURJKSA-N	411.914	5.165	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2c[nH]c3ncccc23)nnc1-c1cccc(Cl)c1	502141271	IVKJOGFQXFVBBU-CYBMUJFWSA-N	423.929	5.024	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1cccc(COCc2ccco2)c1	503224561	GNWLORDLRYUFPX-QGZVFWFLSA-N	421.522	5.892	30	20	HKED	
N#C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1	505939566	WXPNBOFSYHBVNU-FQEVSTJZSA-N	410.395	5.132	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccccc1C(F)(F)F	507131424	AXAGMIAAKGBCAH-AWEZNQCLSA-N	424.513	5.972	30	20	HKED	
C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(Nc2cccc(C)c2)CC1	508800797	HTNJKKZBIJRUEI-UHFFFAOYSA-N	412.541	5.002	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)cc1Br	509911256	PAMZDKPXVNNUJX-CYBMUJFWSA-N	418.241	5.301	30	20	HKED	
C=CCN(C(=O)c1sc(C)cc1OC(F)F)c1nc(-c2ccccc2)cs1	510204872	CAJUDEAKLCCHCJ-UHFFFAOYSA-N	406.479	5.614	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510734434	UZYQKGVOLKYLHJ-INIZCTEOSA-N	419.456	5.689	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C(C)(C)C)n1	510856382	HPHPNZYRAMGBHY-UHFFFAOYSA-N	408.889	5.287	30	20	HKED	
Cc1nn(-c2ccccc2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	511652146	ZPYZARFHKJZHOR-UHFFFAOYSA-N	424.529	5.597	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	513204982	KLVLVTIICYMITI-HNNXBMFYSA-N	416.868	5.315	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(Oc2cccnc2)cc1	514159414	DDGGMSPYCYPTGV-SFHVURJKSA-N	412.493	5.181	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1	516884409	XDHIWWWURNYDOH-XMMPIXPASA-N	412.480	5.196	30	20	HKED	
N#CCCCOc1cccc(/C=C(/CC(=O)O)c2nc3cc(Cl)ccc3s2)c1	517402459	ZGAVRYCJUMQWKN-GDNBJRDFSA-N	412.898	5.648	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CSCc1ccc(Br)cc1	517440827	GVCGIUBKUHYTQN-UHFFFAOYSA-N	421.385	5.327	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1cc(-c2ccc(Cl)cc2)no1	520663933	UKQCALUMOQPBNU-UHFFFAOYSA-N	418.305	5.392	30	20	HKED	
C=C(C)Cn1c(SCc2nc(C[C@H](C)c3ccccc3)no2)nnc1-c1ccco1	521129362	PYGFPGDISWUOLJ-INIZCTEOSA-N	421.526	5.136	30	20	HKED	
COc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1OCC(F)(F)F	521472500	LKCRCEUCQUKBOA-UHFFFAOYSA-N	411.273	5.047	30	20	HKED	
CCCCCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	521746261	DJYPVIYPTCARQG-GOSISDBHSA-N	413.562	6.302	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	522314742	RDLYJQPJOPVYMH-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
CC[C@H](NC(=O)c1ccccc1)c1nc(-c2cn(CCC#N)c3ccccc23)cs1	522893222	CISGCFAAWVTOOG-FQEVSTJZSA-N	414.534	5.560	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)n1	524254085	MCZNOVNVFIBEIH-INIZCTEOSA-N	402.306	5.420	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1	525564585	JXDDREYAIFTAPE-QGZVFWFLSA-N	419.550	5.298	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(OCC4CCCCC4)CC3)c2)cc1	525687069	JQFINAZDZOHUCA-UHFFFAOYSA-N	417.553	5.503	30	20	HKED	
COc1ccc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1OCCCC#N	533211306	CPNXFXBPQHHIDY-UHFFFAOYSA-N	416.525	5.190	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(C#N)c(Cl)c1	535121048	NQSHRLWPQRERDJ-UHFFFAOYSA-N	414.292	5.506	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C	537665870	PHYULNNWAHAXAP-QGZVFWFLSA-N	414.534	5.154	30	20	HKED	
C[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(C#N)c(F)c1	538509481	WIYCIPXIJYEEJX-OAHLLOKOSA-N	405.439	5.031	30	20	HKED	
CCCN(C(=O)c1ccc(CC#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	540754514	RODHQSQSEVKJLV-DEOSSOPVSA-N	401.485	5.237	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	541275193	WDEWMCQWROHLMM-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1Cl	543472919	PCBCUZSRADMYLE-CYBMUJFWSA-N	416.308	5.132	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ncc(-c2cccnc2)s1	552757279	GPSRLSBHGXFTHH-UHFFFAOYSA-N	405.401	5.041	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1CCC(F)(F)CC1	560152692	DGLFCSUPQIBLRN-UHFFFAOYSA-N	403.313	5.508	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N(CCC#N)c1ccc(F)cc1	571856069	MICCQYNZEKEIPI-CQSZACIVSA-N	413.905	5.455	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cn2)cc1	577826561	MTAAUVCBPUXMGH-IBGZPJMESA-N	410.477	5.538	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	577906916	BGTMZNTVVOLFII-OAHLLOKOSA-N	419.550	5.363	30	20	HKED	
CCO[C@H](c1noc(/C=C\c2cccc(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	583719409	LCAZSMQCXCKSNY-QBUQCISBSA-N	417.362	5.395	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N[C@](C)(C#N)C(C)C)c2nc3ccccc3s2)c1	585720285	WOOGQRGMDFACMR-IRUWDQCASA-N	419.550	5.290	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1OCC	592973373	FCIWJEOEYATRBT-INIZCTEOSA-N	412.486	5.503	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccs3)o2)nnc1-c1ccc(Cl)cc1	597137445	AGHYOMNAOXQYME-UHFFFAOYSA-N	414.943	5.793	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc2o1	603875477	LZEPFIDPGWBYAX-UHFFFAOYSA-N	415.449	5.421	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)cc1	603920876	DTERZUHKQUVKFV-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc4c3CCCC4)c2)c1	603995908	UHJJQKZTAAVLEA-UHFFFAOYSA-N	401.491	5.003	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)cc2Cl)cc1	604475289	BFWKISOGVYSSDG-UHFFFAOYSA-N	422.828	5.234	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc2ccccc12	609371576	NZLURASOPMSFHY-QGZVFWFLSA-N	406.576	6.106	30	20	HKED	
Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609505298	UCRZDMODJQSQLX-UHFFFAOYSA-N	402.498	5.119	30	20	HKED	
N#CCCN(C(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccc(F)cc1	609521974	UYQYMFYGIFMKEK-UHFFFAOYSA-N	420.669	5.283	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccco3)C2)cc1Cl	609553632	FEZXFWCGQZNFFO-YLJYHZDGSA-N	405.885	5.610	30	20	HKED	
CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	609556019	RTQBYYXTAGITNL-MSOLQXFVSA-N	402.608	5.103	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	609809232	OTHWPYHQIYYHIE-UHFFFAOYSA-N	404.514	5.687	30	20	HKED	
C[C@H](S[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1)c1ccc(C#N)cc1	609825143	IKZBDSHSFIHBBB-QWHCGFSZSA-N	407.520	6.084	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(-c4ccncc4)cc3)cc2)cc1	610052683	OOOZIEIRFQQTBL-UHFFFAOYSA-N	419.484	5.537	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1Cl	610141825	OIEXOBJPJMDYMF-FYYLOGMGSA-N	419.912	5.241	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc(C#N)c1	610319039	FMQZAEOBJLIZIG-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)c(C)c2)n1	610323455	QDHULASLIXCTNT-OAHLLOKOSA-N	408.552	5.666	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1	610575393	FDDYCQMTRPQHDC-UHFFFAOYSA-N	421.566	5.715	30	20	HKED	
CC(C)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCCCO1	610717895	VDCWINNNGVCYQW-HSZRJFAPSA-N	421.541	5.048	30	20	HKED	
CCOc1ccc2c(c1)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)CCO2	614169682	KQOVFGWZLKQSQO-CRAIPNDOSA-N	411.527	5.125	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3c(Cl)cccc3OC(F)F)ccc21	615728702	SYRYPEMHTPYNMY-UHFFFAOYSA-N	419.859	5.136	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CC1	618850222	WGSGWSRWVSSCSJ-QKKBWIMNSA-N	413.443	5.500	30	20	HKED	
C=CCCOCC(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C	620326598	OFZMAEDRTJFJIJ-UHFFFAOYSA-N	406.551	5.993	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc2cc(C(F)(F)F)ccc2s1	677790781	CZOXAPXXXMXMNK-GOEBONIOSA-N	416.424	5.309	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc2cc(C(F)(F)F)ccc2s1	677790783	CZOXAPXXXMXMNK-ZBFHGGJFSA-N	416.424	5.309	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccccc2COCc2ccccc2)cc1Cl	726466497	IJWDOTLUNNGAIS-UHFFFAOYSA-N	407.926	5.737	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2nc(-c3ccsc3)oc2C)cc1	727037972	AXJPJWDTYPOQJG-KUHUBIRLSA-N	421.522	5.115	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc(Cl)nc2)cc1	727083442	DJQVYIWFBWOPLP-UHFFFAOYSA-N	410.905	5.145	30	20	HKED	
C(=NOCc1csc(-c2cccs2)n1)c1cccc(OCc2ccncc2)c1	727436055	ZSALWDGDLATEEZ-UHFFFAOYSA-N	407.520	5.396	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)/C=C/c1cccc(OC2CCCC2)c1	727665350	KAAAYEQBIKSCID-FOCLMDBBSA-N	411.505	5.157	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)nc2ccccc21	730394850	NSPNZHCQGIVGSU-XXBNENTESA-N	415.493	5.422	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	730421580	MHKNNIZWDLKEPF-AWEZNQCLSA-N	417.303	5.352	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(C)cc(C)c2)cs1	730436394	KBIANMFHTARQRE-TWGQIWQCSA-N	410.926	5.994	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	733843065	JTTOOHIZVAJMAS-UKILVPOCSA-N	424.504	5.345	30	20	HKED	
N#CCN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C1CCCC1	737637559	CYPJHTCKOMBEHL-UHFFFAOYSA-N	407.564	5.497	30	20	HKED	
COc1ccc(CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C2CC2)cc1	740483793	XAQPFYFIMWAYFV-UHFFFAOYSA-N	417.534	5.170	30	20	HKED	
Cc1ncsc1/C=C1/CCc2nc(-c3ccc(Br)cc3)sc2C1=O	742434904	PQWXOQWSSDVKDW-WQLSENKSSA-N	417.353	5.550	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F	744031984	FXZUTGJLNCHASX-KOTGUFOOSA-N	424.781	5.249	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccccc3C(F)(F)F)n2)cc1	744036365	ZUXRFEYAMPBPQA-YOEHRIQHSA-N	414.452	6.117	30	20	HKED	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C2CC2)nc(SC)c1C#N	745844358	RQCLVBVTPPQWMV-UHFFFAOYSA-N	419.472	5.234	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(C)Cc2c(Cl)cccc2Cl)c1=S	746027963	CULAELBCNPHHOC-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
C[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)c1cccc(F)c1	746126346	WZYIMLBMOYYDOW-UZUQRXQVSA-N	400.453	5.329	30	20	HKED	
Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	748130294	VMTPFVROPIBXNE-UHFFFAOYSA-N	416.546	6.240	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(C#N)s1	749318162	NZCKHQRAOQZPPG-UHFFFAOYSA-N	402.884	5.041	30	20	HKED	
Cc1cc(Br)ncc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	749407023	FVCKEZHORRPOGH-UHFFFAOYSA-N	422.282	5.263	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc2cc(Cl)ccc2s1	759221807	OWJORPIJPSRBDG-MOEXGYKKSA-N	424.312	6.041	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc2cc(Cl)ccc2s1	759221808	OWJORPIJPSRBDG-MWWKQMNYSA-N	424.312	6.041	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)c1c(C(F)(F)F)ccnc1Cl	759409508	MJLHLFGLNDJDLF-UHFFFAOYSA-N	406.816	5.467	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)Cc2ccc(OCC#N)cc2)oc1-c1ccc(Cl)cc1	763974553	YRIZLFAIHBUTDM-OAHLLOKOSA-N	410.857	5.053	30	20	HKED	
CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl	764300777	CXGYKMAOADWBEW-GOSISDBHSA-N	403.891	5.016	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc3c(s2)CCC3)cs1	764431851	GXOAIHYGZCLWLZ-YFHOEESVSA-N	412.511	5.413	30	20	HKED	
C[C@@H](c1ccccn1)N(C(=O)c1cc2ccccc2n1CC#N)c1ccc(N(C)C)cc1	766588830	PQUSZVRERFYFNW-IBGZPJMESA-N	423.520	5.034	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Br)cc1	766621989	CBZLPZYEICJMKS-AUUYWEPGSA-N	421.294	5.053	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2cn(C)c3ccccc23)cc1	773978074	QYKBNMZGQBHXDE-FIKGOQFSSA-N	401.510	5.143	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1ccncc1	774217454	FYXSDBXEZDLCTK-HXUWFJFHSA-N	403.448	5.307	30	20	HKED	
O[C@@H](Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)c1cccc(F)c1	777718055	KJVCMNMZOKMIQM-AWEZNQCLSA-N	420.284	5.189	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N	780670063	NXKAOGJLJXFXSW-GDBMZVCRSA-N	406.511	5.292	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)cs1	780676725	QNQRAABINMKOQD-LSDHHAIUSA-N	406.511	5.292	30	20	HKED	
C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nnc(-c2ccc(F)cc2)o1	785016778	FHTKHRWPWMPMIF-HNNXBMFYSA-N	418.428	5.052	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2csc(-c3ccc(C)cc3)n2)c2ncc[nH]2)c1	787170297	VCNDZWQGQCPIHV-DEDYPNTBSA-N	401.491	5.274	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1	789452581	STWFQUPZLSIVPX-JTHBVZDNSA-N	410.533	5.798	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1=S	794666676	YOHMZZXRCYNWCP-SWLSCSKDSA-N	416.900	5.151	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](C)C[C@H]2c2ccccc2)c1=S	795747538	VUDBCTSSTKBZIO-NQIIRXRSSA-N	420.582	5.316	30	20	HKED	
COc1ccc(C(=O)/C=C/C(C)=C\c2cccc(C(F)(F)F)c2)cc1NC(C)=O	806572309	ZBTUVRPOJIKPLU-NWKDWAORSA-N	403.400	5.515	30	20	HKED	
C#C[C@@H](NC(=O)Nc1ccc(Sc2ncccn2)cc1C)c1ccc(Cl)cc1	810175210	GZCBQCLPEJUSIS-GOSISDBHSA-N	408.914	5.086	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C/c3cccc(NC(=O)C(F)(F)F)c3)oc12	810232283	XHKCNSJCNYUGDY-MDZDMXLPSA-N	403.356	5.228	30	20	HKED	
COc1cccc(/C=C/C(=O)c2ccc(F)c(Br)c2)c1OC(F)F	810248175	UUFXAANUOFWUQM-SOFGYWHQSA-N	401.178	5.094	30	20	HKED	
N#Cc1c(F)cccc1/C=C(/Cl)c1nc(O)c2c(-c3ccccc3)csc2n1	811685932	IAWHRIKQFMRNMQ-CXUHLZMHSA-N	407.857	5.812	30	20	HKED	
CCCCCCC[C@H](C)CNC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	812011083	PVXBWASJEMTUHK-IPMKNSEASA-N	406.571	5.154	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc(C(F)(F)F)c1	857432439	AXQOPUXIUDTRTI-UHFFFAOYSA-N	402.216	5.390	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2sccc2Br)cc(Cl)c1OC	915113828	VGDIKEQGPABWHL-PLNGDYQASA-N	401.709	5.467	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)-c1ccccc1C2	915859978	ACPAUZVCBLSPTA-UHFFFAOYSA-N	417.468	5.878	30	20	HKED	
CC(C)c1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)cc1	916349736	UYHGIHAALPPICN-UHFFFAOYSA-N	401.333	5.002	30	20	HKED	
Cc1ccc(Oc2ccc(OCC(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)cc1	916846394	SGXIPEWTQZUJNP-HXUWFJFHSA-N	414.486	5.652	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)c1	916896639	NFRRQUZGLBBTFQ-AWEZNQCLSA-N	403.290	5.478	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)ccc2c1	917042650	CQAKCMNMBHHQSK-FOZGUINQSA-N	418.905	6.001	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(F)cccc2s1)c1nc2cc(C(F)(F)F)ccc2s1	917042956	JMZOTXWTGNHLRP-NSHDSACASA-N	420.412	6.159	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc2cc(Cl)ccc2s1	917045399	ZCAYSROGGIENIU-AWEZNQCLSA-N	416.980	5.918	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5s4)CCC3)cc2)C1	1785807703	MZYONCNBHZOTIT-UHFFFAOYSA-N	422.575	5.677	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(Cl)c4OC)CCC3)cc2)C1	1785809157	WCRIIQIUKHGFKX-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831448017	CGXPMIFIDBISHA-JBACZVJFSA-N	424.576	5.034	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2C)cc1	11168380	FSIJMNPQLJNGFE-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
C[C@H](c1cccs1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47570371	VHWPHHAWOPRYQW-QGZVFWFLSA-N	405.523	5.618	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccccc1OC	53048251	ZPOGZQSXGKHDIN-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	97543244	HYTXEJXMFWDCDK-LJQANCHMSA-N	413.521	5.700	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2ccc(F)cc2c1C	108778903	FRQKBHPQDILEKI-UHFFFAOYSA-N	417.465	5.969	30	20	HKED	
CCOc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	142008818	LTBHSRLTVIXISQ-LLVKDONJSA-N	411.811	5.068	30	20	HKED	
CCN(CCCC1(C#N)CCOCC1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1	410411519	QDIAPCFTIGOGIF-NRFANRHFSA-N	406.570	5.846	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc([C@@H]4CCCOC4)nc3C)n2)cc1	429681382	KNRJSIIUEGGWBY-SJORKVTESA-N	423.563	5.268	30	20	HKED	
Cc1ccc(S(=O)(=O)c2ccc(CN[C@H](CCCC#N)c3ccccc3)cc2)cc1	433034682	ZPBVPKOCTORWQN-RUZDIDTESA-N	418.562	5.353	30	20	HKED	
Cc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OCC(F)(F)F)c1	437820858	KJKXDCMQIPGPAY-HKUYNNGSSA-N	417.431	5.240	30	20	HKED	
COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	438059947	PHFMOPPYHHWDKT-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cs1	442533396	XDLOMWXQAJLQGT-OAHLLOKOSA-N	408.433	5.353	30	20	HKED	
CC(C)(C#N)CC(=O)Nc1ccccc1Oc1ccccc1NC(=O)CC(C)(C)C#N	447338733	CMKCATMWBZHLHA-UHFFFAOYSA-N	418.497	5.236	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(OC4CCOCC4)cc3)c2)cc1	460158798	BBAAAPTVRGNUOD-UHFFFAOYSA-N	414.461	5.161	30	20	HKED	
O=C(NCCCC(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	466732411	CMYGMGMORGHNHY-UHFFFAOYSA-N	400.338	5.018	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)cc1	468778106	BRLQYZPSXLLLJU-UHFFFAOYSA-N	405.404	5.455	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C	471162941	ZHKDVXIVQDMXDA-UHFFFAOYSA-N	417.557	5.532	30	20	HKED	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	474187241	BTCUHHZMHSNEMS-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
O=C(Cc1ccc(F)c(F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474267869	UTUZXGJTYOAGPK-HNNXBMFYSA-N	411.292	5.336	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	475298149	QXSLVAHGGLHQAK-UHFFFAOYSA-N	404.853	5.653	30	20	HKED	
C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cc2cccc(F)c2o1	475802624	BTIMPPCZNUJGKA-AWEZNQCLSA-N	404.397	5.107	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C)c1ccc(F)c(F)c1	477728656	PPXZKPBMWBTBLB-KDOFPFPSSA-N	407.530	5.873	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(F)cccc1F	479662563	HKZYPOCFHRAJSX-MRXNPFEDSA-N	406.432	5.352	30	20	HKED	
CCOc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccc(F)cc2)cc1	480397236	QABTZEAVPMRTFU-MRXNPFEDSA-N	421.501	5.008	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)c(F)c1	480537163	FTBLPUSEWMEXRZ-XOBRGWDASA-N	401.482	5.655	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1ccc(F)c(F)c1	481215260	OOTIRWNILLEIHU-OAQYLSRUSA-N	416.468	5.288	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cccs1)c1nccc2ccccc12	483202920	PRXYLZCSLZIPCG-HXUWFJFHSA-N	400.528	6.079	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1	483276539	GPMFQORYTVVSGZ-UHFFFAOYSA-N	417.896	5.646	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)c2)cc1	483444718	XEPHRSHAKPASLA-RDGATRHJSA-N	412.489	5.248	30	20	HKED	
COc1cccc2[nH]cc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c12	486918803	GGBKKKCICTYLNQ-UHFFFAOYSA-N	411.461	5.330	30	20	HKED	
C=CCN(C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc(-c2ccccc2)cs1	487195084	DUYPWZZENQEBGZ-UHFFFAOYSA-N	422.460	5.107	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	490327663	OIVCLIATQJSNBX-UHFFFAOYSA-N	401.466	5.515	30	20	HKED	
C[C@@H](N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1(C)CC1	496378975	NCKDQGMMBJOOBQ-GFCCVEGCSA-N	422.476	5.277	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](c2cccc(F)c2)c2ccccn2)c1	498363626	KUVKJHFCAWHHNK-HHHXNRCGSA-N	423.491	5.551	30	20	HKED	
N#Cc1c(F)cccc1Sc1nnc(-c2ccccc2F)n1Cc1ccccc1	498844413	OHIQQELUXXAXQK-UHFFFAOYSA-N	404.445	5.294	30	20	HKED	
COCc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	502639382	YOQVYGAMYGLOEZ-UHFFFAOYSA-N	401.466	5.122	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2c(CC)ccc(Cl)c2CC)cc1	502662009	SSWRLFPYGLFSAY-UHFFFAOYSA-N	400.910	5.416	30	20	HKED	
CC[C@@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	504423955	KJARPLWXEAISTN-KRWDZBQOSA-N	408.552	5.224	30	20	HKED	
Cc1[nH]c2ccccc2c1C1=CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	506396712	MCPZTTXCHCLNEF-UHFFFAOYSA-N	421.548	5.543	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc2ccccc2n1C(F)F	509561290	ZHRWQFFARCTXML-SFHVURJKSA-N	415.399	5.152	30	20	HKED	
CCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)[C@H](C)c1ccc(C#N)cc1	509586976	KMHJUQXEUNKUKX-MRXNPFEDSA-N	404.535	5.827	30	20	HKED	
C[C@H](c1cccs1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510009518	KDABZRKVYNGAMZ-DNVCBOLYSA-N	409.942	6.282	30	20	HKED	
N#CCSc1cccc(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1	510854736	VVSJULJKKYKTOD-UHFFFAOYSA-N	403.334	5.539	30	20	HKED	
N#C[C@@H](C(=O)c1c(-n2cccc2)sc2c1CCCC2)c1ccc(C(F)(F)F)cn1	513209271	AFDVGIBBROEFBK-OAHLLOKOSA-N	415.440	5.321	30	20	HKED	
C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	516610172	HLATWIQURDBLSN-VIFPVBQESA-N	422.291	5.293	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@@H](C)NCC(C)(C)CCC#N)s2)cc1OC	517907645	KPKGYHIOVGCDPZ-OAHLLOKOSA-N	401.576	5.040	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1	518670649	GSEKADZHEKSUQP-ZIAGYGMSSA-N	416.568	5.022	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	518753145	JKRRETJHQCTEEO-HZPDHXFCSA-N	413.543	5.371	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c1	518902855	HLWHQVUGAYGADB-RUZDIDTESA-N	402.469	5.152	30	20	HKED	
COc1cccc([C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	521473742	QJHJHWFWXNKJIY-OPAMFIHVSA-N	404.897	5.746	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1	522066426	HRNOTKULMHDBSF-IBGZPJMESA-N	406.551	5.786	30	20	HKED	
C=CCCCCCN(C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1	523510505	LMCZWAUJTYACTO-UHFFFAOYSA-N	405.545	5.329	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCOc1ccccc1Cl	524141023	COYFSPNBRUWHPZ-UHFFFAOYSA-N	420.896	5.507	30	20	HKED	
Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	524597923	YEKSJIQIMHSISQ-KRWDZBQOSA-N	404.539	5.447	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1Cl	534912033	AWARIHKUZPAHIO-UHFFFAOYSA-N	417.852	5.141	30	20	HKED	
N#Cc1cc(NC(=O)c2coc(-c3ccccc3Cl)n2)ccc1OCC(F)(F)F	537343809	CQRXUDMEVXINKJ-UHFFFAOYSA-N	421.762	5.060	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3COC(C)(C)C)n2)cc1	538046093	RXOFDSDUTMLNQN-HXUWFJFHSA-N	420.534	5.624	30	20	HKED	
C=CCC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C(F)(F)F)cc1	538232371	AVXSIODZBPHFQI-LJQANCHMSA-N	422.403	5.277	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1	538617342	NPFYURCWDQFUEC-GMAHTHKFSA-N	421.541	5.161	30	20	HKED	
N#Cc1c(NC(=O)CCN[C@H](CC(F)(F)F)c2ccccc2)sc2c1CCCC2	539281442	SGAPUMWYYZZYEY-QGZVFWFLSA-N	421.488	5.110	30	20	HKED	
N#Cc1c(Cl)cccc1SCc1nnc(-c2ccccc2Br)o1	541173961	UZMBAVKNQXAQJA-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cc(F)ccc2SCC(F)F)C2CC2)cc1	541445573	RFZMNMYPEIAESN-UHFFFAOYSA-N	405.445	5.251	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	542562496	KUVRGHKEAWNZAU-UHFFFAOYSA-N	418.493	5.688	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2cccc(C(F)F)c2Cl)cc(OC)c1OC	542720514	BDTSTMHVHQUOCM-UHFFFAOYSA-N	410.848	5.345	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)cs1	543357671	ZYVQYCPSTKJXOQ-MRXNPFEDSA-N	416.550	5.425	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCC(CC#N)CC3)c2c1C	543831835	FQHPGPWMDOLMPV-UHFFFAOYSA-N	422.579	5.225	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)c(F)c1	557115592	YNCVTKAQNGZQOK-UHFFFAOYSA-N	421.299	5.007	30	20	HKED	
Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N)N(C)C	562878965	PDBIBPIBAORSLR-NRJQMVOHSA-N	410.587	5.060	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](CCCC#N)c1ccccc1	572906845	OKLDATITOZVVGU-QFIPXVFZSA-N	423.358	5.468	30	20	HKED	
CC(C)Sc1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	591861820	FKRMJZDFHJEARR-AWEZNQCLSA-N	414.502	6.079	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)n2)cc1	603727551	WNSCIGIDKOEQCY-QFIPXVFZSA-N	411.486	5.441	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc(-c2ccc(Cl)cc2)cs1	603836598	LXRMHSHBAXSGRN-AWEZNQCLSA-N	422.853	5.343	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)s1	604028843	UZMRMORRTSANCR-UHFFFAOYSA-N	422.535	5.624	30	20	HKED	
CC(C)(NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1	605955218	BALHCDNGDAIQJE-VXGBXAGGSA-N	414.365	5.270	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	608862906	MXTSKRPCXLFBFA-GOSISDBHSA-N	403.404	5.345	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)c1C#N	609032555	NVURVYWHDKAAPF-UHFFFAOYSA-N	415.522	5.175	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)cc1F	609389355	MIIQMCUKWPPMSS-UONOGXRCSA-N	406.523	5.792	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OC2CCCCC2)nc1	609434672	IFKQRIBISRCGHD-QGZVFWFLSA-N	424.570	5.509	30	20	HKED	
CN(C)CCc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	609724044	DKZGBFDCDTWITM-UHFFFAOYSA-N	419.912	5.360	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(Cc3ccccc3)C2)cc1	610631818	VTDCAJTZKUOYHA-UHFFFAOYSA-N	413.477	5.066	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nnc1-c1ccco1	614012770	UYFYTTGOOBWHIZ-UHFFFAOYSA-N	413.502	5.270	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1	615475985	GYAGVNGHPDRYHT-UHFFFAOYSA-N	421.585	5.680	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(Br)cc(C(=O)N2CCCC2)c1	619203108	BOZKHNXGHKPTEY-NRFANRHFSA-N	424.342	5.046	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622477561	DFWHYXXBFCNOSZ-ZBEGNZNMSA-N	423.328	5.422	30	20	HKED	
O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1OCCC(F)(F)F	669754836	WNLXWNIAZLVYAO-UHFFFAOYSA-N	424.316	5.226	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F	726478052	FTUGSDSNCGFBRV-UHFFFAOYSA-N	407.470	5.616	30	20	HKED	
Cc1cc(C(=O)Nc2cnccc2Oc2ccccc2)c(C)n1-c1ccc(C#N)cc1	728274051	SQBOPJLSCWAZBH-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)cc1	729189044	VDGVDBPSVRZDDY-OXJNMPFZSA-N	403.457	5.091	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	729945929	VFFIFMVFOVRZKO-OAQYLSRUSA-N	411.429	5.284	30	20	HKED	
CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	731345482	XRJAXFZRWOMSHO-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
Cc1c(C(=O)/C=C/c2cccc(OCCCC#N)c2)cnn1-c1cccc(Cl)c1	731565650	XCPMCFPQCWNCER-ZHACJKMWSA-N	405.885	5.413	30	20	HKED	
CCN1C/C(=C\c2ccnc3ccccc23)C(=O)/C(=C/c2ccnc3ccccc23)C1	731835978	XQSMDFYINRWESY-YHARCJFQSA-N	405.501	5.155	30	20	HKED	
COc1cc(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1SC	733083259	GTTCUNFFILIWHR-BQYQJAHWSA-N	412.492	5.345	30	20	HKED	
N#C[C@@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1c(Cl)cccc1Cl	733259543	YWZBYURUKVQODU-GFOMBABLSA-N	416.695	5.589	30	20	HKED	
CC(C)(C)c1cnc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	733378559	WKTWTIQESIHXBX-UHFFFAOYSA-N	406.507	5.493	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1	733845010	ZDJCEZSQRLYOFE-FQEVSTJZSA-N	416.481	5.185	30	20	HKED	
C=CC[C@H](NC(=O)N(CCC)[C@@H](C)c1ccccc1Br)c1ccncc1	734683051	LRIDASNCCPLTRN-JXFKEZNVSA-N	416.363	5.644	30	20	HKED	
C[C@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nnc(-c2ccccc2)o1	738749960	UHLWHNVKCAOIEP-INIZCTEOSA-N	410.433	5.270	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(COCc3ccccc3)cc2)cc1Cl	741495579	IYPYXIRXNKCVOQ-UHFFFAOYSA-N	407.926	5.737	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc(-c2ccncc2)cs1	744064351	UTKBQXXONZUAKD-BRWVUGGUSA-N	414.317	5.492	30	20	HKED	
FC(F)(F)c1ccc(Cl)c(N=C2NN=C(c3ccc4c(c3)COC4)CS2)c1	746189134	XZUCZCMWZMDJNN-UHFFFAOYSA-N	411.836	5.117	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1ccc2ccccc2c1OC(F)F	753136347	VQSDDVZDMOVQJR-VURMDHGXSA-N	408.429	5.856	30	20	HKED	
COc1cccc(C=NOCc2cc3ccc(SC)cc3nc2Cl)c1OC	760416760	MCHRMDLGJYOSLE-UHFFFAOYSA-N	402.903	5.178	30	20	HKED	
Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1N1CCSCC1	767802751	ZOAGXJXGNKVSCR-UHFFFAOYSA-N	418.566	5.059	30	20	HKED	
Cc1oc2ccccc2c1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	767965182	CUXHPVPNDMLYQQ-OAHLLOKOSA-N	408.429	5.562	30	20	HKED	
CCN(c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(C)C	770117424	CXVDYWDKIYNBOV-OAQYLSRUSA-N	414.534	5.407	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(OCc3ccccn3)c(Cl)c2)c1	770543141	QKGDILIEJMIDQV-UHFFFAOYSA-N	407.901	5.609	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCOc3c2ccc(Cl)c3Cl)c1	772984269	PJGRCGRHYVWROU-KXBFYZLASA-N	405.325	5.678	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cc1C#N	775689345	KANVBTFTOXKTCI-AUUYWEPGSA-N	410.474	5.033	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)Nc2cccc(CN3CCC(CO)CC3)c2)cc1	777242930	UUEWCENNHSBRCO-LJQANCHMSA-N	414.977	5.195	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	777302387	MVDDDDHNMHBXQF-FOIQADDNSA-N	424.928	5.021	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	781134719	GBXWXTHGJUYQOH-JPYJTQIMSA-N	414.505	5.177	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCC(=O)c3ccccc3)n2)cc1	783355470	MWYRADBEKXJDDB-FQEVSTJZSA-N	402.519	5.738	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(OC(F)(F)F)cc1	789369582	VQWKXLSJEQMTGC-AWEZNQCLSA-N	422.403	5.488	30	20	HKED	
CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1	791697029	BUTJYJSHNWIKDW-OAHLLOKOSA-N	421.522	5.314	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(C#N)c3ccccc3n2)c(Cl)c1	809077514	XRXVKQGKSOUZLW-UHFFFAOYSA-N	422.872	5.359	30	20	HKED	
Cc1cc(C(C)(C)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccc1Br	810606477	XEJLXIHBZMZELT-AWEZNQCLSA-N	405.361	5.492	30	20	HKED	
C#C[C@@H](NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1	811859808	AUSGQWRYVPYWAK-GAJHUEQPSA-N	419.912	5.049	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc2ccccc2o1	915104955	OOKIKRSHGQUPEL-QGZVFWFLSA-N	402.837	5.403	30	20	HKED	
N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc2ccccc2n1	916849734	ZIIXZJRZTIVHMX-LBPRGKRZSA-N	405.668	5.450	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)c1	916897326	GZOWGGDTYIDYLF-HNNXBMFYSA-N	417.515	5.294	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(F)cccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	916977006	ZLYOBGZIZSSLSK-CQSZACIVSA-N	412.898	6.307	30	20	HKED	
Cc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)c1	920806974	VDCXAPOUSAFUBH-CQSZACIVSA-N	414.502	5.674	30	20	HKED	
COc1ccc(OCc2ccccn2)c(C=NNc2nc(-c3ccccc3)cs2)c1	921256482	UKBUKQLNKJIBFE-UHFFFAOYSA-N	416.506	5.239	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)C1	1785806669	LHKDQRVTTIPDBQ-UHFFFAOYSA-N	418.415	5.012	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CCC3)CCC2)cc1	1791247418	VGQUAYQQTCKAMV-OAHLLOKOSA-N	408.464	5.065	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828343380	FNZWCYVFKMNDDQ-PKTZIBPZSA-N	414.634	5.345	30	20	HKED	
Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)CCC#N)cc2)cc1	7884029	YQMYBQSYOGYBSE-VWLOTQADSA-N	410.521	5.112	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(CC)c2)cc1	10174655	YWIXKQOMSDQBGK-UHFFFAOYSA-O	420.602	5.105	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sccc3Br)n2)cc1	51153987	JAHZAFKNBRSWTQ-GFCCVEGCSA-N	403.326	5.433	30	20	HKED	
CCN(Cc1csc(COc2ccc(OC)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	55059358	BBISSIQTZDBCPK-KRWDZBQOSA-N	407.539	5.185	30	20	HKED	
C=CCN(C(=O)c1sc(C)nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	61204826	ZWLFKXGACKXJGL-UHFFFAOYSA-N	424.378	6.023	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2Br)cc1)c1cccc(C#N)c1	63327009	ITTUXENUAZUCMO-UHFFFAOYSA-N	421.294	5.176	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(-n2cccn2)c1	237598049	DPGBYMRZZFAVED-FQEVSTJZSA-N	408.505	5.174	30	20	HKED	
Cc1cc(C)nc(Sc2ccc(NC(=O)c3cccc(SCC#N)c3)cc2)n1	429952985	YCRBJVMEKJLFNI-UHFFFAOYSA-N	406.536	5.113	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	430596428	WZLNRMZRMGXWLJ-UHFFFAOYSA-N	417.509	5.112	30	20	HKED	
CC1CCN(Cc2ccccc2CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1	431816605	XSDRLGHNANIRAL-VWLOTQADSA-N	418.585	5.153	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)cc1	435667359	KCGQMHFYUOMMJQ-LGPLSSKUSA-N	423.516	5.182	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccco3)C2)cc1Cl	441214017	WWWZCQLTXWRCAD-DENIHFKCSA-N	421.884	5.194	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cccc(OCc3ccccc3)c2)c(C#N)c1C	444718765	PJRJTPRCJPRTOI-MSOLQXFVSA-N	417.509	5.025	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccc(F)cc2O1	460316285	IQZRJRLTLNCHPZ-INIZCTEOSA-N	402.425	5.112	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n(-c2ccccc2)n1	462034142	YVUHBWUTTOMGSB-SFHVURJKSA-N	422.488	5.162	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cc2ccccc12)c1cc(C(F)(F)F)ccn1	464417035	APSBMIGIAAKQST-INIZCTEOSA-N	419.200	5.506	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2)cc1	464418657	HNHPNRDCWWCOIX-LJQANCHMSA-N	407.351	5.254	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	465425192	VSSIWGRHRRHJSW-IBGZPJMESA-N	409.470	5.759	30	20	HKED	
COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	466116196	JRONMVCMLOOKOC-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1	466759731	ZVBHJNGMWPXKHQ-QGZVFWFLSA-N	412.917	5.283	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1	468810741	DFCBRSRDYXAGNR-MRXNPFEDSA-N	417.822	5.357	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1-n1cccn1	470597753	CDDUBAQDSKCZKR-SJORKVTESA-N	405.527	5.149	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c1	472283256	ZGDKOAHECXUMGE-SFHVURJKSA-N	422.497	5.251	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)CC1(O)CCCC1	475555085	KEEKYMOKQOPOSA-UHFFFAOYSA-N	406.570	5.878	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)c1	475745561	HNJNBCDAWOOEOA-UHFFFAOYSA-N	403.294	5.047	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1nc2ccccc2o1	480592090	LOCUIEGZEWIBNM-LPHOPBHVSA-N	420.538	5.981	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	482815810	XSDHTEXUHTZFEZ-NRFANRHFSA-N	417.921	5.598	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	483319225	BCBBBSYERCLFEI-KRWDZBQOSA-N	401.466	5.151	30	20	HKED	
Cc1nc(NC(=O)c2cc(Cl)ccc2OC2CCCC2)sc1SCC#N	486125892	JUMDFXWHIIONEW-UHFFFAOYSA-N	407.948	5.294	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(COc2cc(Cl)cc(C#N)c2)cs1	487394482	VWWIDIFENXVYHA-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
COCc1ccsc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	488639165	AILYRMZUEIGCBQ-UHFFFAOYSA-N	412.898	5.251	30	20	HKED	
C=CC[C@H](C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	489005713	DIGMDXCPUUQEEX-PWUYWRBVSA-N	403.547	5.434	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cc(Br)cs1)c1c(Cl)cccc1Cl	499812922	NZPZEZKAOJUZOB-CYBMUJFWSA-N	418.143	5.131	30	20	HKED	
C[C@H](NC(=O)N1CCC=C(c2ccncc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	501851963	DSFUXLMPGAOKBP-IBGZPJMESA-N	408.505	5.180	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(C(F)(F)F)cc1	502085805	ACYRIGWOQBHMAR-UHFFFAOYSA-N	409.301	5.375	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N[C@@H](c1c(F)cccc1F)C(F)(F)F	505418977	CAJNURRXDCTCHE-ZBEGNZNMSA-N	411.292	5.421	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2COc3ccccc3C2)cc1Cl	505724810	FXZYVFZVGDJGQS-FPOVZHCZSA-N	417.896	5.121	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC=C(c4ccccc4Cl)CC3)cc2)nc1	509749490	GRQXCVVUXCERDK-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
COc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	510369380	MXVKTUVLOQXGIJ-UHFFFAOYSA-N	401.466	5.032	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cccc(C(F)(F)F)c1	512064455	OUFRPUNCFJDAGV-UHFFFAOYSA-N	417.456	5.049	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1c[nH]cc1-c1ccc(Cl)s1	513352029	XOQCMGFFFNNQSF-UHFFFAOYSA-N	408.832	5.197	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2ccccc2o1	515597573	PBVRXMIBCKUMAJ-ZDUSSCGKSA-N	421.865	5.285	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc(-c2ccccc2)cs1	516465568	VVDVMCLSWBRNDD-SFHVURJKSA-N	404.882	5.139	30	20	HKED	
N#C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)c1cccc(Cl)c1Cl	518709456	YHOLZBLSDRLALY-MRXNPFEDSA-N	418.349	5.697	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	521746151	AJEYHYHYVZBOMD-MRXNPFEDSA-N	419.554	5.063	30	20	HKED	
C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	523456680	OHSHQVZNCIXDKC-MRXNPFEDSA-N	401.441	5.641	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2F)c1	524455899	HHCOKOYYWWMJOO-UHFFFAOYSA-N	421.280	5.897	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(C2CC2)n1	536196667	GYUJERNSSQXGHL-CYBMUJFWSA-N	403.598	5.287	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN[C@H](Cc1ccc(Cl)cc1)c1ccccc1	540375794	KWONBLZWFVQGKZ-HXUWFJFHSA-N	409.942	5.175	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc4c(c3)CCCO4)cc2)CC1	540723299	KOTCDCNATVEKMZ-VWLOTQADSA-N	408.501	5.086	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ncsc1C(F)(F)F	548996885	HISHASGTDLIQPG-UHFFFAOYSA-N	406.254	5.034	30	20	HKED	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	551195747	ZRHNHWBYQVUZGD-HNNXBMFYSA-N	409.411	5.472	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)N[C@@H]3CCCc4cc(C#N)ccc43)s2)cc1	552922330	DFGQSHUZBFSLKE-IVZQSRNASA-N	403.551	5.727	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	553338584	FUPHYOXKKAYNDG-CVEARBPZSA-N	408.420	5.592	30	20	HKED	
C=C(C)CCNc1cccc(NC(=O)c2ccccc2I)c1C	564200683	IGHZPTFTSRZMOF-UHFFFAOYSA-N	420.294	5.230	30	20	HKED	
Cc1cc(C(C)(C)NCc2cccc(OCCCC#N)c2)ccc1Br	566827048	XGRKPSCGTYSNCD-UHFFFAOYSA-N	401.348	5.465	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1cccc(C)c1C	569276169	UCFMDLTYAVTMLG-NRFANRHFSA-N	418.541	5.107	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC)c(OC)c1	569701566	BIHILKUOLWWDFN-WBVHZDCISA-N	413.543	5.228	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1	577148239	RVYFLGDOJABDFD-OAQYLSRUSA-N	408.933	5.176	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cnc(-c4ccsc4)s3)cc2)ccn1	577789296	PBTGEDGNCTWUHZ-UHFFFAOYSA-N	404.476	5.183	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1	578697235	GGKWIZULSKIGDM-JKSUJKDBSA-N	406.327	5.795	30	20	HKED	
Cc1n[nH]cc1C1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1	582742169	WDTUIDOZMCAVBK-UHFFFAOYSA-N	420.900	5.055	30	20	HKED	
CCN(C(=O)c1nc2ccccc2cc1Br)[C@H](C)c1ccc(C#N)cc1	583956882	ZSRGTAZSNLWJGD-CQSZACIVSA-N	408.299	5.092	30	20	HKED	
O=C(Nc1cc(F)ccc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	590339084	NUYZXQGMQKDQSN-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)N[C@@H](C#N)Cc2ccccc2)cc1OC	604474086	DBWXDNKLRDGPPO-DNQXCXABSA-N	400.522	5.021	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(Oc4ccccc4)nc3)c2)c1	604546502	PJPOAZILCUWXGK-UHFFFAOYSA-N	421.500	5.614	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccn1	609206706	ACMVSDNLWAOUSO-QHCPKHFHSA-N	400.482	5.717	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208767	DMWZACWULMOQJJ-NRFANRHFSA-N	403.507	5.953	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)cc1Cl	609384911	STLRWXHTPMBSKF-CQSZACIVSA-N	422.381	5.316	30	20	HKED	
Cc1ccc(C)n1C1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1	609660913	NHNKOCVWPJFEKS-UHFFFAOYSA-N	413.521	5.033	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cccc(C#N)c1	610323545	LFGCXXCZYPLNSF-GOSISDBHSA-N	410.477	5.200	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@H](C)c1cccc(C#N)c1	610407287	UGNKXOGYZZJPHV-OAHLLOKOSA-N	400.320	5.002	30	20	HKED	
CC(C)OC1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	611050043	DPLMMPAUTIWFAV-UHFFFAOYSA-N	411.477	5.347	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(Cl)c1	611093439	SYHCPFDNUBAAOV-ZDUSSCGKSA-N	400.265	5.026	30	20	HKED	
C[C@H](Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)c1cccc(C#N)c1	611483169	GEWQPGJKSSFEPK-SFHVURJKSA-N	409.489	5.750	30	20	HKED	
C=CCCOCC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C	620236868	IZMVUIVZQVFYIG-QFBILLFUSA-N	408.929	5.449	30	20	HKED	
O=C(Nc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642389939	DTHJBAXMZAFGOK-NXEZZACHSA-N	422.291	5.736	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCOC[C@H]1c1ccco1)c1ccc(C(F)(F)F)cc1	676727755	ZIGOCTSIQAXYMU-ROUUACIJSA-N	408.420	5.089	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	682777172	HEOYSSUUPJLPSB-HUUCEWRRSA-N	422.413	6.133	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	685669947	IBJUEACOIIODTB-CYBMUJFWSA-N	413.268	5.112	30	20	HKED	
CC(C)[C@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	727233106	FXTLYZWCVKDGMI-BEFAXECRSA-N	400.956	5.943	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	729069304	IBOKMYAICMJZHH-DENIHFKCSA-N	412.489	5.710	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)n1	730395275	SRHXACJFFNGQNC-IFXJQAMLSA-N	417.317	5.755	30	20	HKED	
CN(CCc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	731754062	JYXASMFRKSLCLC-UHFFFAOYSA-N	417.484	5.177	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OC	733228551	LAKKUOKYUXWTAF-OAQYLSRUSA-N	424.516	5.034	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c1	733800174	UNJLVNSWONMZMI-TZMCWYRMSA-N	424.303	5.374	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1	733805364	RUYGOANEAMURQG-MRXNPFEDSA-N	406.313	5.016	30	20	HKED	
C[C@H](N[C@@H](C)c1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	734158609	JFMNFVPTXJQNIF-KBPBESRZSA-N	424.595	5.176	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)SCc2cc(Cl)ccc2OCC#N)cc1	735318686	NTXOLIOIVJYOQA-ZDUSSCGKSA-N	406.960	5.225	30	20	HKED	
Cc1oc2c(CN(CCC#N)C(C)C)c(O)ccc2c(=O)c1-c1ccccc1Cl	739841754	PWCYOPZPNFAFOC-UHFFFAOYSA-N	410.901	5.252	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1Cl	741170037	NHPGRZIONGWKCV-CQSZACIVSA-N	404.244	5.455	30	20	HKED	
C#Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)nc1	741203279	DSRQDXSHEQWPBT-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)c1ccncc1	745827046	GEIOAUVRHJGRJH-LJQANCHMSA-N	421.463	5.394	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1	747108159	DDJNYZGESUHWGI-MRXNPFEDSA-N	414.292	5.063	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cccc2Br)cc1	749322461	FHWGIEHVEOLAKD-QGZVFWFLSA-N	409.258	5.496	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1	750440564	CFOADCINMFDDJZ-KRWDZBQOSA-N	411.855	5.603	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	750689382	LVOVSPMONXJXEU-BLLLJJGKSA-N	418.440	5.694	30	20	HKED	
COc1ccc([C@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	750693842	ZXBQGBZLUAVVNW-QRWLVFNGSA-N	401.491	5.060	30	20	HKED	
CC(=NOCc1cc(C#N)ccc1Br)c1nc2ccccc2n1C(F)F	754882218	IDZONPAAWWPBFX-UHFFFAOYSA-N	419.229	5.006	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Cc3cccc(Cl)c3)n2)cc1	756529409	OZWQVRMZNMHORN-AUUYWEPGSA-N	410.926	5.527	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](CCSC)c2nnc3ccccn23)cc1	764722742	YPOBIAOAXUSKLC-VQIMIIECSA-N	416.978	5.006	30	20	HKED	
O=C(/C=C/c1nccn1Cc1ccccc1)c1ccc(Br)cc1Cl	765614688	YZVFBGHBFWQDPO-CMDGGOBGSA-N	401.691	5.243	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)cc1	769946296	QKDOOMCGNJXIHR-AUUUKSDWSA-N	420.818	5.196	30	20	HKED	
C[C@H](N[C@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccc(OCC#N)cc1	779081869	DRSBZIGZMNVLCA-LHSJRXKWSA-N	417.322	5.683	30	20	HKED	
Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)N[C@@H](CCC#N)c1ccccc1	779135159	AACWOZWPXJYCQG-GCJKJVERSA-N	408.546	5.110	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc(-c3ccccc3)nc2C)cc1	779195595	YIEUTGSAJMQGAT-YWZLYKJASA-N	401.466	5.125	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)CCCSc1ccc(Br)cc1	780158439	MDNSENJWSANQTQ-CQSZACIVSA-N	419.344	5.251	30	20	HKED	
CCN(C)[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	780315375	QORFUDXICABIAX-QAPCUYQASA-N	417.456	5.184	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@@H]2CCCC2(C)C)cs1	782287546	MNMWIRLZTSYXLY-QGZVFWFLSA-N	424.492	5.349	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(CC(C)C)c2)cs1	794724322	PIAOHHZRHSLEPP-XFXZXTDPSA-N	422.525	6.061	30	20	HKED	
Cc1ccc2c(c1)CC[C@H](C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O2	796650372	LJCOCTWHPLTNFB-RHSMWYFYSA-N	416.424	5.194	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Oc2ccncc2)cc1	800843672	HWNRTBQOGZQSPB-DEOSSOPVSA-N	405.457	5.782	30	20	HKED	
C[C@H](O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1F	804800186	IPXDWLKHNLZMAB-HNNXBMFYSA-N	406.482	5.295	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	807964215	AGTOEDHJSUAZFQ-RBUKOAKNSA-N	405.479	5.041	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2ccnc(Br)c2)cc1	815064453	DSZDXBOSAJXCDY-UHFFFAOYSA-N	410.290	5.057	30	20	HKED	
O=C(OC[C@H]1CC1(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	816418116	HEXTUIUZGQGSBA-XGAHQAEOSA-N	420.340	5.307	30	20	HKED	
C=CCn1c(SCC(=O)Oc2ccccc2Cl)nnc1-c1ccc(Cl)cc1	913962412	VADOOJWBXYUBNU-UHFFFAOYSA-N	420.321	5.136	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1	915086892	OEVVGISGTQBTMR-HXUWFJFHSA-N	415.543	5.708	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc2ccccc2[nH]1	915352296	GSCMVWXBNULKOC-ZJSXRUAMSA-N	423.520	5.737	30	20	HKED	
CC(=NNc1ncnc2c1cnn2-c1ccccc1)c1cc(Cl)sc1Cl	915963828	NEDBWZRSIIMVKK-UHFFFAOYSA-N	403.298	5.020	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1nc2ccccc2s1	916627311	MJUDEYFYYFKUPX-CYBMUJFWSA-N	417.353	5.336	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	916975705	DSMHABNJQAUDBW-AWEZNQCLSA-N	420.893	5.710	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)C=C(C3CC3)C3CC3)s2)c(C(F)(F)F)c1	917673094	LNGAWJCCJNFVMU-UHFFFAOYSA-N	417.456	5.309	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2)n1	918159454	HEYKGBMPYAYMMO-UHFFFAOYSA-N	420.519	5.419	30	20	HKED	
Cc1cccc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1	920112835	LETPQVMMPGJRCS-OAHLLOKOSA-N	400.425	5.532	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CCC1	1792166659	ZDJQSIBUKSQOGZ-UHFFFAOYSA-N	423.516	5.405	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1	1832607168	FETSGHGQRBWPJC-PGRDOPGGSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccc(Cl)cc1	36807297	ZFPIGOFWLFUKHH-UHFFFAOYSA-N	407.930	5.328	30	20	HKED	
CCCOc1ncccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	64532994	ZKVQTGQPPJWMDJ-UHFFFAOYSA-N	416.481	5.165	30	20	HKED	
COc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1OC	96767025	JZFLKXHNTPSEND-NBVRZTHBSA-N	401.487	5.737	30	20	HKED	
CCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)[C@H](C)c1ccc(C#N)cc1	106212968	HAIKANMUDOXILS-MRXNPFEDSA-N	423.969	5.411	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1	108439327	ZVRRPQVABHBPKC-GOSISDBHSA-N	402.469	5.603	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	195611808	LPJQJBMUMOZOBI-UHFFFAOYSA-N	406.869	5.409	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1	237499572	ADRLPALLIXXFIR-CQSZACIVSA-N	410.930	5.204	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1	237509242	MASWQIXLZXYKRJ-NRFANRHFSA-N	422.532	5.179	30	20	HKED	
N#CCCCOc1cccc(NCc2cc(Cl)ccc2OC[C@H]2CCCO2)c1	237762079	AJUISYCOIFGMEB-OAQYLSRUSA-N	400.906	5.192	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1cccnc1	302700715	PSCLHIDUOQLFOR-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)N1CCc2ccccc2C1	303669314	CWYULSMBLVKNET-LJQANCHMSA-N	411.505	5.044	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(SCC#N)c1	429786719	VFJMTNUYJUABOC-UHFFFAOYSA-N	413.502	5.314	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl	431899288	CJHZTGWQWXNULG-DJTDUFQSSA-N	423.944	5.010	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC[C@H](c1ccccc1)C(F)(F)F	432454836	NYZMYVNUBHMYBC-NJDAHSKKSA-N	415.459	5.204	30	20	HKED	
Cc1c(CN2CCSCC2)cccc1NC(=O)c1sc2ccc(C#N)cc2c1C	433226286	GDWNGZKBRIECJP-UHFFFAOYSA-N	421.591	5.191	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1	433811008	NAQOCTPXHDEWJT-KNQAVFIVSA-N	402.523	5.422	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	437103257	ZMKPRWGRUDNLPL-HSZRJFAPSA-N	417.484	5.224	30	20	HKED	
C[C@H](S[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(C#N)cc1	437276134	MWNYRTKORDYUJC-IFXJQAMLSA-N	402.466	5.149	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc1C(F)(F)F	438637012	MPVXUSRXNFPFOB-CQSZACIVSA-N	405.273	5.141	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1	439481815	NFRGQFCNUTYVAV-LJQANCHMSA-N	413.403	5.058	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C	439663080	RKOPUDVEMOEMIN-QGZVFWFLSA-N	403.457	5.546	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1C	442503487	CUROTKRCSHDCGN-ZDUSSCGKSA-N	417.353	5.741	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)cc(F)c1Br	443534052	VKAFDWZSKCBYLI-YOEHRIQHSA-N	420.257	5.031	30	20	HKED	
CC1(C)CCC[C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	443660834	ZNISVLQVVFPRTR-QUCCMNQESA-N	423.944	5.019	30	20	HKED	
N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1C(F)(F)F	443880318	DVARNWLSFQZLTL-UHFFFAOYSA-N	424.304	5.034	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1csc(CCc2ccccc2)n1	444421932	WCAWNMXQXVFUAM-UHFFFAOYSA-N	412.518	5.599	30	20	HKED	
Cc1c(-c2ccccc2)sc(NC(=O)CC(C)(C)C#N)c1C(=O)N1CCCCC1	447119677	CIGBJKWBWLTMKC-UHFFFAOYSA-N	409.555	5.228	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OC4CCC4)cc3)c2)cc1	463117290	GTMKKXAIZOFNCF-UHFFFAOYSA-N	412.489	5.515	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)s3)o2)cc1	463798853	MLRBQLMIXLXZMB-UHFFFAOYSA-N	408.508	5.112	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1	463920886	DZKJDIBBROQOPL-LSDHHAIUSA-N	412.946	5.739	30	20	HKED	
CCCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(F)cc1)c1cccnc1	464053048	RAHGQRXXIWVPLZ-UUOWRZLLSA-N	401.485	5.224	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)c1c(F)cc(C(F)(F)F)cc1F	464528070	MOCNVVSBXZTRPN-UHFFFAOYSA-N	403.200	5.116	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)C[C@@H](CC#N)c1ccccc1	464709409	KRGIQUGTFPWUJU-OAHLLOKOSA-N	403.345	5.587	30	20	HKED	
CCO[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1=CCCC1	465034141	ZOZACLXLFPQOHS-DEOSSOPVSA-N	406.501	5.132	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1	466987367	QNNSUEIKEVCBBL-OAHLLOKOSA-N	403.290	6.041	30	20	HKED	
CC[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[C@@H]1c1ccccc1	470002551	GQMIQFWJERRPQC-YKSBVNFPSA-N	414.505	5.386	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(CCc2ccccc2)CC1	475578797	DDXYFXBIHUUJTH-UHFFFAOYSA-N	405.586	5.367	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1COc2ccc(Br)cc21	476079367	KGOHJCLJLBXNPJ-GOSISDBHSA-N	400.316	5.416	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1	480296252	RWMRHTUJXJTYBE-UHFFFAOYSA-N	406.477	5.140	30	20	HKED	
CC(C)CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCCc2cccnc21	480636506	PHLRFCDKILNQLG-GOSISDBHSA-N	414.456	5.122	30	20	HKED	
CN(CC1CC1)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	482312463	AGONDOCDQWTZMH-GFCCVEGCSA-N	422.291	5.379	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nccc2ccccc12	483212541	RVFPVSDSPBIAJS-JOCHJYFZSA-N	418.452	6.050	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1	486890541	KEDZIAFWKHNBQI-UHFFFAOYSA-N	410.905	5.147	30	20	HKED	
Cc1nc(NC(=O)c2c(F)cc(C#N)cc2F)sc1Cc1ccc(Cl)cc1F	487584233	QUGGCHIJLFEXNS-UHFFFAOYSA-N	421.831	5.237	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c1	488454506	DHFXFRMDWULUOT-UHFFFAOYSA-N	418.415	5.115	30	20	HKED	
C=CCC[C@@H](C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1	488893802	FHQZNCBWGKYRGX-NTKDMRAZSA-N	413.521	5.261	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)NCc2cccc(C#N)c2)c(C(F)(F)F)c1	490737353	WEWQMJTZNYHHHH-CYBMUJFWSA-N	407.461	5.789	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c1	492083632	UVGNBBPSWVLGLD-LJQANCHMSA-N	402.416	5.190	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1cccc(Br)c1	496294155	ZQBRKRBBYSCQEW-CQSZACIVSA-N	423.097	5.232	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(ccc3ccccc32)[nH]1)c1ccc(Br)cc1	499431886	QMJZJFMLXZXTFE-FQEVSTJZSA-N	404.267	5.078	30	20	HKED	
N#CC1(CCCN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CCOCC1	499643733	DORUAHLCWWQAKF-IBGZPJMESA-N	409.343	5.120	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)CN1Cc1ccccc1	499896892	SFRNTABJPRBKMQ-AABGKKOBSA-N	422.598	5.065	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1	502606794	XNTGTTNROKZHNW-GOSISDBHSA-N	414.509	5.420	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccccc1	504864707	SGLZDALKWZUMKX-LJQANCHMSA-N	403.448	5.394	30	20	HKED	
N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1c(Cl)cccc1Cl	505504929	CEDZOSCJXGUECL-INIZCTEOSA-N	418.255	5.101	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1	508273655	BAWFFTZWXUVRQA-OAHLLOKOSA-N	405.454	5.452	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OC2CCCC2)CC1	508908728	VRJQTZANEUPCIB-HXUWFJFHSA-N	424.589	5.149	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510023970	OZBGETLLWBKPLH-NRFANRHFSA-N	421.953	6.277	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Cc3cc4c(ccc5ccccc54)o3)CC2)cc1	510514342	LHIQHYZQDLHTND-UHFFFAOYSA-N	410.473	5.070	30	20	HKED	
CCCN(C(=O)CSCC#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	512159627	KZOMYSFFZDJBAY-UHFFFAOYSA-N	400.356	5.117	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1	512690620	JJNIHQWULVSCQF-UHFFFAOYSA-N	408.501	5.269	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1	512720100	IIOFBCSEMFBPRE-SANMLTNESA-N	415.537	5.686	30	20	HKED	
CC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(COc2ccccc2C#N)c1	513270867	BMXGCFOFDPLIGK-UHFFFAOYSA-N	404.432	5.188	30	20	HKED	
N#CCc1ccc(NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc1	514505151	ZFNOYISYGPLIRT-UHFFFAOYSA-N	424.548	5.337	30	20	HKED	
COCc1nc(CNc2cccc(Br)c2C#N)c(-c2ccccc2)s1	515565507	MYIVVHBKQDFVRV-UHFFFAOYSA-N	414.328	5.203	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1	517520142	WKVOGEBUVMAGGR-QGZVFWFLSA-N	408.548	5.549	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1	517530182	KJRNFMZXRYWXOC-ICSRJNTNSA-N	409.555	5.294	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CC1(C(=O)O)CCCCC1	518147363	LUIITPVIUUJOLT-UHFFFAOYSA-N	414.449	5.075	30	20	HKED	
CC[C@@](C)(C#N)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	519465003	KCDDXTYONQCLNL-FQEVSTJZSA-N	403.404	5.145	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	520343513	KIWCHAYDJPPDFT-UHFFFAOYSA-N	421.456	5.673	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1	521095358	PSUUYNKRWNYYJJ-HSZRJFAPSA-N	403.913	5.337	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2ccc(Cl)cc2)cs1	522947340	DQIVFXZHEBNLKV-SFHVURJKSA-N	416.893	5.411	30	20	HKED	
COc1cccc(C[C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	524154386	HLOPFJWWYWNRTB-QFIPXVFZSA-N	412.489	5.206	30	20	HKED	
CCN(Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	524566374	SQCAJZALTYOAIG-SFHVURJKSA-N	403.551	6.146	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1NC(=O)NC(C)(C)C	525375060	JWSZKGBBPWGSMA-MRXNPFEDSA-N	424.570	5.562	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1nc2ccccc2s1	530858224	HNDREISWRRFJJR-CQSZACIVSA-N	405.866	5.627	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CCCCC4)[nH]n3)n2)cc1	535406697	FTFDYDHCWVSMGU-KRWDZBQOSA-N	406.511	5.080	30	20	HKED	
CCCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1	539497795	XXZFBNAIEKGDNV-YADARESESA-N	404.558	5.007	30	20	HKED	
CCCn1c(SCCCC2(C#N)CCOCC2)nc2ccc(C(F)(F)F)cc21	539512867	ZKFKNWKWQDTAAM-UHFFFAOYSA-N	411.493	5.658	30	20	HKED	
C[C@H](NC(=O)c1ccc(-c2ccccc2)nc1O)c1ccc(-c2cccc(C#N)c2)cc1	541133328	ZBMOOJYEOPBYII-SFHVURJKSA-N	419.484	5.484	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC1CCCC1	541280866	HWEVRLSBSLNOPN-MRXNPFEDSA-N	410.539	5.521	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	543331540	HQUQJXVPHAJMHN-UHFFFAOYSA-N	411.505	5.642	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1	543890031	JAYVOUACUDRNRR-QZTJIDSGSA-N	401.514	5.124	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nc2ccccc2n1C1CC1	548956244	YNXDPQAXIMRVEN-OAHLLOKOSA-N	405.527	5.087	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1	549278980	DNLBUWOUZSOXPG-UHFFFAOYSA-N	421.560	5.737	30	20	HKED	
Cn1c(Cc2cccs2)nc2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)ccc21	554017001	RYPISYJGHGNUNV-FQEVSTJZSA-N	422.513	5.264	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nccc2ccccc12	556934821	XNLMPXIVKKUVAW-IBGZPJMESA-N	409.411	5.344	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)ccn1	562183186	PNZUKVDTDISPQR-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#Cc1nc(N2CCc3nc(-c4ccccc4Cl)sc3C2)ccc1C(F)(F)F	566876774	OZZLUCWCSPUHJB-UHFFFAOYSA-N	420.847	5.312	30	20	HKED	
CC1(C(=O)N2CC[C@](C)(c3ccccc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1	568374718	ARSBAVWWSZLIHX-VWLOTQADSA-N	421.972	5.008	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3OC3CCCC3)CC2)c(F)c1	573591064	CCODOJRJPRUUMH-UHFFFAOYSA-N	423.488	5.094	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC=C(c3ccncc3)C2)cc1	574543250	ZFLLRCMVMCSTLT-UHFFFAOYSA-N	424.504	5.048	30	20	HKED	
COc1cc(CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1C#N	575221294	NWTDJEKQNATFDY-UHFFFAOYSA-N	404.322	5.287	30	20	HKED	
C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]1c1ccccc1OC	578284305	TWEIPFHYSBGYFC-JOCHJYFZSA-N	411.509	5.029	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1cc(F)c(C(F)(F)F)cc1F	589056368	RKHKGUYKDRGEKL-UHFFFAOYSA-N	405.326	5.655	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c1	589382576	ULZHAWOOCXRUSX-UHFFFAOYSA-N	415.415	5.407	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	603650141	QCFVDIWFKTVMJD-ZDUSSCGKSA-N	412.465	5.109	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	603689848	QSUYDPVNXKXQRT-KRWDZBQOSA-N	416.481	5.415	30	20	HKED	
CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cn1	603763529	DHPMRXRLQVXWKS-UHFFFAOYSA-N	421.460	5.161	30	20	HKED	
COc1cccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	604088442	WLYJDISAAOZIOR-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1	604500173	KCSNINXQFRTNDO-OAHLLOKOSA-N	405.420	5.341	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)oc1-c1ccccc1	609297674	CJTPVLXAFOGCHH-UHFFFAOYSA-N	424.460	5.280	30	20	HKED	
COC(=O)c1sc2cccc(F)c2c1CNc1ccccc1S[C@H](C)CC#N	609431139	XBLJSTREOIEMRR-CYBMUJFWSA-N	414.527	5.833	30	20	HKED	
CN(C)[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(Cl)c1	609492260	JPAGQFWQVVBBOO-HSZRJFAPSA-N	419.912	5.032	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc1C	609665519	SKKRXFIJOGQSBJ-NZQKXSOJSA-N	412.537	5.099	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(F)c1	609693651	BPEBCOZMVVUTSD-SFHVURJKSA-N	402.469	5.603	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1	609735754	RYLLOYCGDIOCGZ-WXTAPIANSA-N	415.537	5.365	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1C(F)(F)F	610224017	CLFZSKIZSKSNFX-CQSZACIVSA-N	411.383	5.507	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccc(C#N)c1	610358061	XZFKPMPKITUDGB-OYHNWAKOSA-N	407.876	5.501	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1	662025730	VQHHYGCRSFGPOZ-KRWDZBQOSA-N	420.582	5.375	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1nc2cc(F)ccc2s1	671764201	OQOXGHVESZNAOQ-SFHVURJKSA-N	415.449	5.178	30	20	HKED	
O=C(Cc1ccc(F)cc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	676037024	MJBYBZYJZNXRQX-IAZYJMLFSA-N	405.741	5.047	30	20	HKED	
C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H]1c1cccs1	685545427	BDNBUEZFIYFNOF-FQEVSTJZSA-N	401.539	5.391	30	20	HKED	
C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3ccc(OCC#N)cc3)c2)C1	727935921	AFHXBQZTNBNSEZ-MBSDFSHPSA-N	407.514	5.006	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cc(Cl)ccc1F	728062669	SHFBJMQKFSTGDI-HNNXBMFYSA-N	423.875	5.369	30	20	HKED	
O=C(O)C(=O)/C(=C\c1ccc(-c2cccc(F)c2)s1)c1ccc2ccccc2n1	728156693	MAMIMMSJGPSQDV-AQTBWJFISA-N	403.434	5.297	30	20	HKED	
CC(C)[C@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1	728636509	CIYJMMKTCUUUHM-NRFANRHFSA-N	402.494	5.111	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1Cl	729821597	PVSSCYWYSFUACZ-UHFFFAOYSA-N	405.779	5.675	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1nc2ccccc2s1	730071393	LNVLZBLICPMMLR-KSFYIVLOSA-N	418.518	6.145	30	20	HKED	
O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1csc(C(=O)O)c1	730150593	VMXBIRMBJFNSRH-ZZXKWVIFSA-N	405.884	5.031	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc2cc(F)ccc2s1	730421471	KPDDDMBTJJGEAS-CYBMUJFWSA-N	423.296	5.778	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)Cc2ccc(OCC#N)cc2)C(C)C)s1	731981556	GYCJERHDYBIBHA-UHFFFAOYSA-N	418.562	5.606	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1	732696471	JOZQCLWSZLHYAD-QFIPXVFZSA-N	401.897	5.806	30	20	HKED	
C=CC[C@H](NC(=O)N(CCC)[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccncc1	734680786	UWQCCVXZNKIXIV-QRWLVFNGSA-N	406.357	6.188	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1	734993092	AIDHSWAXWYGMCH-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3occc3COc3ccccc3)c2)s1	739600445	YIIKXGSEJLWBBR-UHFFFAOYSA-N	414.486	5.389	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2ccc(C)cc2)c1=S	742155978	UOHQPWDGLFZFNR-OAQYLSRUSA-N	405.571	5.155	30	20	HKED	
N#Cc1cc(NC(=O)c2ccnc(F)c2)ccc1Oc1ccc(C(F)(F)F)cc1	742785171	OUZHDAZFMMCBNH-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)s1	744115355	HXBOJHYRJZEALW-PSASIEDQSA-N	409.305	5.239	30	20	HKED	
NC(=NOCc1ncc(-c2cccc(Cl)c2)o1)c1cccnc1Oc1ccccc1	749250784	XBJLOSKQIMYDGY-UHFFFAOYSA-N	420.856	5.019	30	20	HKED	
C=CC[C@@H](NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1)c1ccncc1	754922796	YVTABXLUGVTKGE-FOIQADDNSA-N	403.448	5.653	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1	757303199	DQBYZBIGMHBGEL-HSZRJFAPSA-N	423.472	5.183	30	20	HKED	
N#C[C@@H](C(=O)/C=C\SCc1ccco1)c1nc(-c2c(F)cccc2F)cs1	759829422	TZWGPQHUZSMQPK-WOLRVDTOSA-N	402.447	5.305	30	20	HKED	
Cc1oc2ccccc2c1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	767960103	PRPIYQYDIVPVOM-NRFANRHFSA-N	424.456	5.424	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2ccccc2SCc2cccs2)c1OC	768156524	LSNFANPFMBFTNC-GOSISDBHSA-N	424.547	5.052	30	20	HKED	
CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc([C@H](C#N)c3ccccc3)cc2)C1=O	771903136	ITNDGMAGKDGCNY-DNQXCXABSA-N	409.489	5.262	30	20	HKED	
C[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(OCC#N)cc1	776154325	AUAKPRVIRRUGBR-KRWDZBQOSA-N	418.459	5.007	30	20	HKED	
O=C1/C(=C\c2ccccc2OCc2cccnc2)CCc2ncc(C(F)(F)F)cc21	777468768	ZCTHYSBYAFFIIR-YVLHZVERSA-N	410.395	5.287	30	20	HKED	
Cc1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)CCOCC2)cc1	779195012	SHNZCBISTNMJFC-QGZVFWFLSA-N	410.926	5.183	30	20	HKED	
N#CC1(COC(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)CCOCC1	780543269	GLTYRJJPHOFVKJ-UHFFFAOYSA-N	406.265	5.263	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	780997102	HJGBAFKQVMXDGW-CYBMUJFWSA-N	416.355	5.388	30	20	HKED	
C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1	796631208	DKLPLBNJHIOCCW-UHFFFAOYSA-N	403.551	5.080	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccccc2Br)CC1)c1nccc2ccccc12	797161329	VBKNIKQOOPXUIL-SFHVURJKSA-N	405.295	5.196	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F	804356845	RBSLNOLOLDMXKB-SNVBAGLBSA-N	400.372	5.488	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1OC	810280170	AXQIUIXMIJOTPJ-NRFANRHFSA-N	402.454	5.027	30	20	HKED	
Cc1ccc(C(=O)OC(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1ccccc1F	816219212	XRSMGUCZCPOCAF-UHFFFAOYSA-N	423.284	5.036	30	20	HKED	
COC(=O)Nc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc(C(F)(F)F)c1	817319729	RJWNQXCBBBSXKF-GOSISDBHSA-N	419.403	5.049	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cccc4c3CCOC4)cc2Cl)c1	864010914	OLOZAACDGVPCQS-UHFFFAOYSA-N	404.897	5.475	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC([C@@H](O)c2ccccc2)CC1	915342873	POOTZFBIMMYXTA-DEOSSOPVSA-N	416.546	5.125	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc(Cl)ccc2o1	916927854	DCJJXACTWYLXMI-LBPRGKRZSA-N	407.640	5.354	30	20	HKED	
N#C[C@@H](C(=O)/C=C\Sc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	917043002	JURTUKJJIZBFGG-CKXPSTMWSA-N	404.438	5.797	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc2ccccc2c1)C(=O)Nc1ccc(SC(F)F)cc1	917424147	DOJWFURSCQLNMX-HXUWFJFHSA-N	424.472	5.435	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3cccc(C)c3)n2)cc1	920142556	LBFANMGSWKLEKX-LJQANCHMSA-N	408.548	5.237	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(F)c4)CCCC3)n2)cc1	920142959	NPHMANBPOAUHKV-HXUWFJFHSA-N	420.509	5.646	30	20	HKED	
C=C(Br)CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12	921043048	SKCKSVXCTFINFG-UHFFFAOYSA-N	419.269	5.071	30	20	HKED	
C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3ccccc3c1Cl)C2	1801639586	LRKNLUMALUDZIQ-LVQVYYBASA-N	416.974	5.019	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1814829668	HYFDYWXWDJMDOV-FQEVSTJZSA-N	412.578	5.141	30	20	HKED	
Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1	14908402	DTFWMCFBBTYJTL-NFBKMPQASA-N	415.518	5.051	30	20	HKED	
C=CCN(C(=O)c1cc2ccccc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	18119904	JUXOEUYLZJTTOR-UHFFFAOYSA-N	421.503	5.766	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1sc(C)c(C)c1C#N	22475340	WBGUTFDNSPFHRP-UHFFFAOYSA-N	421.469	5.940	30	20	HKED	
COc1ccc(NC(=O)[C@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)C(C)C)cc1	25036674	JHSZTLKAYGZCTJ-QGZVFWFLSA-N	423.460	5.045	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)n1	41516747	PDXGVBUXAFQFBZ-HNNXBMFYSA-N	408.870	5.041	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)[C@@H](C)c1ccc(C#N)cc1	45500768	MRLKYGBTBQKSMD-INIZCTEOSA-N	407.901	5.409	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccccc1Oc1ccccc1	56199484	MAFIBIYLKCCMSO-IBGZPJMESA-N	415.493	5.601	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)c(F)c2)cs1)c1ccc(F)cc1F	96924540	KCEPAQNNNNCRLC-DAXSKMNVSA-N	420.387	5.280	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc3c(s2)-c2ccccc2OC3)cc1	104861364	XENSUGIQRMZMSX-UHFFFAOYSA-N	404.491	5.267	30	20	HKED	
COc1ccc(/C=C2/N=C(SCCCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1	211362109	PMZPGOGJOPZRKX-RCCKNPSSSA-N	405.523	5.093	30	20	HKED	
N#Cc1cc(Oc2cccc(C(=O)Nc3ccccc3)c2)nc2ccc([N+](=O)[O-])cc12	302624391	FEUXKDCPKLPLDB-UHFFFAOYSA-N	410.389	5.059	30	20	HKED	
COc1cc(Cl)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	303167903	ITXDVWNQUBVMJP-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	409527806	IFSBSTZJDNUFQE-GGAORHGYSA-N	414.461	5.110	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)ccc21	409649046	AWRDIXFZBFASIV-UHFFFAOYSA-N	418.403	5.427	30	20	HKED	
CC[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1nc(C(F)(F)F)cs1	430590369	KQWDACABYSJFIK-VIFPVBQESA-N	400.319	5.201	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-]	430925292	KEDSFNPCHJNLBJ-NSHDSACASA-N	420.288	5.004	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	432909260	DSYHXFWJDBYVKD-AUSIDOKSSA-N	418.541	5.258	30	20	HKED	
C[C@H](NC(=O)N1CC[C@H](CC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1	434335610	NXZCODNTQDBLGW-DOTOQJQBSA-N	401.432	5.270	30	20	HKED	
C[C@H](N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1F	437047206	ZUJYVQAJWIFEIY-GTNSWQLSSA-N	404.329	6.060	30	20	HKED	
CCOCc1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	437894214	HIFHIXMZMCATPL-UHFFFAOYSA-N	415.493	5.512	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCc1cccs1	437965199	SDNIITQKWIJDJU-UHFFFAOYSA-N	405.523	5.214	30	20	HKED	
Cc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1NC(=O)c1ccco1	439371032	OKTSXPSDUQHDKN-HXUWFJFHSA-N	402.454	5.007	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCC3CCC(C#N)CC3)s2)cc1	441007073	CVKKCAVTETYBHW-LMDPOFIKSA-N	410.587	5.459	30	20	HKED	
N#CCCCn1cc(C(=O)NCc2nc3cc(Cl)ccc3s2)c2ccccc21	443998946	AXDKZZAIKXYQJU-UHFFFAOYSA-N	408.914	5.138	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F	444463232	AGOLYGSECFUOTL-ZDUSSCGKSA-N	417.375	5.058	30	20	HKED	
Cc1csc([C@@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C2CC2)n1	460250960	LQTDGARRTULMLE-FQEVSTJZSA-N	423.925	5.650	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@H](C)c2ccsc2)CC1	462270767	VRQVVCALURYENH-DLBZAZTESA-N	414.600	5.053	30	20	HKED	
COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1C#N	463021494	PJCWGQQDFLNDTA-NRFANRHFSA-N	407.832	5.130	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccc(OCc2ccccc2)cc1	463541942	HOPZCUJVQXZBEC-VWLOTQADSA-N	412.489	5.192	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cccs1)c1cc(C(F)(F)F)ccn1	464412008	PZGOMGQBHWXRLO-MRXNPFEDSA-N	418.465	5.944	30	20	HKED	
CCn1ncc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1C(F)(F)F	466502375	IRAKGOGQHHROPK-UHFFFAOYSA-N	414.387	5.147	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1occc1COc1cccc(C#N)c1	466889548	ZMXQSPGFZTZZAS-NQIIRXRSSA-N	400.478	5.139	30	20	HKED	
Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1	470539419	XTSNFDXHVHQRON-IBGZPJMESA-N	418.541	5.111	30	20	HKED	
CN(C)c1ccc(-c2cncc(C(=O)Nc3ccccc3SCCC#N)c2)cc1	471264256	HEMXBYAIXBBQFC-UHFFFAOYSA-N	402.523	5.073	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)c2ccccn2)cc1	471289713	XSIAIRXCMPBYCV-AREMUKBSSA-N	418.500	5.096	30	20	HKED	
CC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1	473436096	OSOWAHMKRVCFKG-OAQYLSRUSA-N	416.443	5.141	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1noc2c1CCCCC2	473582459	JSTALYWJFPOKOD-UHFFFAOYSA-N	409.433	5.220	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	474418276	XXPZEPBZLZQJBJ-GFCCVEGCSA-N	409.939	5.201	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC(F)(F)F)c3)n2)cc1	477873751	HXLLLUSAKJVLKT-MRXNPFEDSA-N	413.380	5.070	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1cccc(Cl)c1F	478846391	YYWMCRFVLPGUDD-OAHLLOKOSA-N	408.974	5.138	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1	479600412	MAEXUCPQUDFPOT-NRFANRHFSA-N	416.502	5.129	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482409731	RRQDHJMHYIXDLY-MRXNPFEDSA-N	408.317	5.078	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)N[C@@H](CCC#N)c3ccccc3)c2C(C)C)cc1	484853600	SLXDNRBUPMIJBN-NRFANRHFSA-N	401.514	5.471	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21	486492627	ATWFADHCWPOOPH-LPOZWGFCSA-N	419.594	6.271	30	20	HKED	
Cc1cc(CN[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)ccc1C#N	488160098	HPNOUQWOOCGCPL-SFHVURJKSA-N	401.485	5.038	30	20	HKED	
Cc1nc(CSc2nc(C(F)(F)F)ccc2C#N)oc1-c1ccc(Cl)cc1	488790358	WHNYGWOMOWRJQV-UHFFFAOYSA-N	409.820	5.881	30	20	HKED	
C=C[C@@H]1CCCCN1Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	489475916	KCXMXTBWNAUZKM-GOSISDBHSA-N	403.979	5.638	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)C(=O)N(C)CCC#N	495672840	XCIOCJZNAHJSRS-GFCCVEGCSA-N	410.276	5.097	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1	496633394	SNEHTTRQBQEPNW-UHFFFAOYSA-N	417.534	5.091	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	500293360	BFBCOSOJLAZYMV-RDTXWAMCSA-N	419.472	5.175	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1	500342433	FDAOXJIUUHASTB-UYGLSEIWSA-N	418.537	5.061	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c(Cl)c1	501403551	DIMZSTAGIIJUTM-IBGZPJMESA-N	421.888	5.411	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1C[C@H]1c1ccccc1OC(F)F	505440308	OIKKZUZHNTWMQO-XMZIXOGTSA-N	421.312	5.090	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	513104288	GEOXDBVTAKMROQ-LBPRGKRZSA-N	424.291	5.696	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc3nc(O)oc23)cc1Cl	518266707	CGAFIAOKDUVUSF-UHFFFAOYSA-N	405.797	5.103	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)cc2)nc1	518885348	HNPDZTFXDMQILA-IBGZPJMESA-N	421.909	5.366	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(OC)c(OC)cc1Cl	519744359	OVRVKZGFRUJWES-UHFFFAOYSA-N	409.935	5.010	30	20	HKED	
CCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	520178464	KFNKHKAKXXKIEN-UHFFFAOYSA-N	413.521	5.694	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	520942896	SVXAWXOGNGDXRL-PXNSSMCTSA-N	409.555	5.019	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1)C(C)C	522653862	YDEBOWHINGRZEA-UHFFFAOYSA-N	420.557	5.005	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2F)c1	524146730	YDHWWAWLHAETEB-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc([C@H]2CCCO2)s1	534813928	BSDNWNLLJWLRPF-LJQANCHMSA-N	405.479	5.219	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C1CC1	535555093	WMLBIIDMKIUUBK-KDOFPFPSSA-N	420.538	5.354	30	20	HKED	
CC(=O)N(c1nc(COc2cccc(F)c2C#N)cs1)c1c(C)cc(C)cc1C	535886270	SPEKMKDGQPQKFX-UHFFFAOYSA-N	409.486	5.343	30	20	HKED	
CC[C@@H](CSC)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	536913349	BPRSVKFJEUWWIW-PKOBYXMFSA-N	401.963	5.601	30	20	HKED	
COc1ccc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1-c1ccccn1	540199617	JLJJMKGYAFSROR-UHFFFAOYSA-N	419.484	5.226	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)CCc2ccc(C#N)cc2)c1	544243055	RXXGHFRSUNSIDQ-XNMGPUDCSA-N	410.517	5.257	30	20	HKED	
C[C@@]1(CCCO)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	544534764	MRRFNDMDVYNEEV-OFNKIYASSA-N	411.933	5.154	30	20	HKED	
C[C@@](C#N)(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1	550747471	DWWRIMQSKNZGSS-NRFANRHFSA-N	420.340	5.560	30	20	HKED	
N#Cc1ccc(OC2CCC(NCc3cnc(-c4ccc(Cl)cc4)s3)CC2)nc1	551236764	VSJPUMJPZGELQH-UHFFFAOYSA-N	424.957	5.210	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H]1c1cccnc1	552742435	RFYUEYQYAHQMEO-QFIPXVFZSA-N	401.441	5.108	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Oc3cnn(C)c3)n2)cc1	558872191	CXORVOAFXJYXLQ-LJQANCHMSA-N	414.490	5.134	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(-n3nccc3C(F)(F)F)cc2)c1	561319946	LXPZSICTMDJGBN-UHFFFAOYSA-N	400.404	5.186	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F	562202476	YZGYVOCMMMWRSH-CYBMUJFWSA-N	401.457	5.860	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1	567289444	NVEJCZXUKKXIHX-LBPRGKRZSA-N	402.338	5.369	30	20	HKED	
CN(C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)c1cc(Cl)ccc1C#N	570599396	GAHYMIPHFLLGGM-UHFFFAOYSA-N	420.925	5.027	30	20	HKED	
CCC[C@]1(CO)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	571917078	GJXQWAPZLXZXGX-OFNKIYASSA-N	411.933	5.012	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C2)cc1	580968023	VHYLMDZRLOQIGN-QFIPXVFZSA-N	414.505	5.134	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)CC2	589343910	GIELPGXPLMTTSV-MSOLQXFVSA-N	409.249	5.591	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc5cc(F)ccc5s4)cc3c2C1	592974556	UBURCBWBFWRUPW-YVEFUNNKSA-N	403.482	5.532	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1	608812081	INGKPDZEKPNWPP-UHFFFAOYSA-N	416.452	5.189	30	20	HKED	
CCc1c(C)sc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1C#N	609032770	CVMQLZPWXIBFPX-UHFFFAOYSA-N	401.944	5.449	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1	609387424	BTPGPYFQVYZDDW-OAHLLOKOSA-N	420.987	5.485	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3Oc3cccnc3)cc2)c1	609426885	RRMSPPWUEVPYHC-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609517530	UKYTYZIFGHGSOH-UHFFFAOYSA-N	409.489	5.307	30	20	HKED	
CSCc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)oc2ccccc12	609588804	USVAICKEEZJSFI-MRXNPFEDSA-N	415.312	5.053	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1cccnc1)c1ccccc1	609820755	BIVFJYISNJOBJC-LJQANCHMSA-N	416.550	5.121	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3)Cc3cc[nH]n3)c2)cc1	609845096	UPVQHWWIGVONLR-UHFFFAOYSA-N	423.476	5.308	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c3cccc(C#N)c3)s2)cc1	610356329	OXQJNRYETNLCKC-WMZOPIPTSA-N	418.566	5.762	30	20	HKED	
CC1CCN(Cc2cccc(CNC(=O)c3c(Cl)cc(C#N)cc3Cl)c2)CC1	611093916	OBWVWBCDUQCIOO-UHFFFAOYSA-N	416.352	5.027	30	20	HKED	
CC(C)(C)c1ccc(C#N)c(N2CCC(c3nc(-c4ccncc4)cs3)CC2)n1	613426143	SNTBNCNQLOQIIG-UHFFFAOYSA-N	403.555	5.153	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	615927501	OOBAOCUDWQCRMN-UHFFFAOYSA-N	409.477	5.302	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccoc1C	621240388	YFKSZDBRXOWHNR-HNNXBMFYSA-N	407.499	5.244	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674446737	VSKARFBDVKYBPG-WQAKAFBOSA-N	421.303	5.083	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c1	726482212	ZATAFYUICQBSIE-UHFFFAOYSA-N	420.557	5.239	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CCC#N)c3ccc(C)cc3)c12	726940466	VAVODHDUNRFFQH-UHFFFAOYSA-N	414.465	5.304	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2ccccc2)n([C@H](C)c2ccccc2)c1=S	726960455	AUGZLJPIEXSSDR-RTBURBONSA-N	405.571	5.129	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nnc(-c2ccccc2)o1	728669017	FWLIYPYTUTZKIS-MRXNPFEDSA-N	411.417	5.319	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](CC)Oc1ccccc1C(C)C	729949211	TUFRLWSRELXZJB-NRFANRHFSA-N	401.510	5.103	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2ccc(-c3cccc(Br)c3)o2)cc1	730577109	BSVDWNBAZHYHIK-NTMALXAHSA-N	408.251	5.508	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(Cl)c1Cl	731195513	JFWYYUNUPYEXMZ-OAHLLOKOSA-N	409.363	5.467	30	20	HKED	
C[C@@H](Oc1cccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)c1)C(=O)O	731936987	FKODIYYRUOMBLX-LKKYZFDUSA-N	423.465	5.014	30	20	HKED	
C[C@@H](SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1	731938467	GDLXYDFHIRJALR-KDOFPFPSSA-N	412.967	6.134	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](c3ccccc3)C3CCOCC3)c2)cc1	734349367	FHSJKBSKMDAAJY-VWLOTQADSA-N	412.489	5.248	30	20	HKED	
COc1cc(COC(=O)c2cccc(C(F)F)c2)ccc1OCc1cccc(C#N)c1	735143157	ZNTNCERDSRWJHH-UHFFFAOYSA-N	423.415	5.440	30	20	HKED	
Cc1ccc(-c2nc(/C=C/C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)cs2)cc1	741852937	VHRWHWISZIAGON-FMIVXFBMSA-N	410.502	5.380	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1C(F)(F)F	741924393	FNZCLAHZJDXZOS-XDPMZMSMSA-N	404.457	5.999	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1	744027766	CQPMTVOEYVRNTL-HYSAVQALSA-N	409.555	5.144	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744034887	FWZBGBDTTMSLSS-GWCFXTLKSA-N	408.832	5.948	30	20	HKED	
O=C(Nc1cccc(C=NOCc2cccnc2)c1)c1ccc(Cl)cc1Cl	746588272	ZZUNUJSLEXABBM-UHFFFAOYSA-N	400.265	5.191	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccccc2)n([C@H](C)CC)c1=S	749885665	UUXCYWNVYIIVQX-LJQANCHMSA-N	417.582	5.569	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cncc(F)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	759218577	ROXPFULEQQUGHD-MBRGAHMKSA-N	407.514	5.035	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1	759431589	LHPKFHDIMZPRBF-AWEZNQCLSA-N	424.369	5.070	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3nc4ccc(F)cc4s3)cc2c1C	761478141	QAICFWIPLNVOCI-WAYWQWQTSA-N	412.467	5.036	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCC(=O)c3ccc(C)cc3)n2)cc1	766275578	ODFQSFBBXXCPJB-HXUWFJFHSA-N	418.518	5.357	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCCN1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	768781519	SEHYQYWEFIPHSX-TZIWHRDSSA-N	421.953	5.304	30	20	HKED	
C#CCCCCC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	773297184	LVDLGIKTWPTELW-UHFFFAOYSA-N	408.885	5.706	30	20	HKED	
C#CC[C@@H](NCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccccc1	775401791	ZHGXGIOQFHGQLH-OAQYLSRUSA-N	409.942	5.335	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(OC)cc1	776081748	PVABYHSEKMBKKZ-CVEARBPZSA-N	418.440	5.694	30	20	HKED	
CCN(Cc1ccccc1NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)OC(C)(C)C	777848886	JDSQGTZKIJZQMN-UHFFFAOYSA-N	413.905	5.221	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1O[C@@H](C)C#N	782434688	MMPYREOWSPVBBJ-LBPRGKRZSA-N	415.371	5.212	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	782556015	IWRXNWQYSFTTJP-MRXNPFEDSA-N	414.465	5.286	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2	782743580	HOMBXMKFCHVTQD-QRQCRPRQSA-N	416.550	5.428	30	20	HKED	
N#C[C@@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1cccc2ccccc12	783352932	NBAGGBZHTQCXBD-PVARCSIZSA-N	402.416	5.246	30	20	HKED	
CCSc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	784824183	CNTNAWMSGLKNFN-JOCHJYFZSA-N	415.518	5.031	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	786955914	ARWVZFDFIVNBOO-GOSISDBHSA-N	423.944	5.574	30	20	HKED	
CCc1cccc(Cl)c1C=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	788715603	MKVAQZSBCXTENC-UHFFFAOYSA-N	405.811	5.219	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1	789720669	WUKHVHVSVKFTSL-UHFFFAOYSA-N	409.530	5.211	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1Cl	789888917	ITMFCPWMGZMSTI-UHFFFAOYSA-N	412.965	5.220	30	20	HKED	
C#CCCOc1ccc(/C=C2/SC(=S)N(CCCCC(F)(F)F)C2=O)cc1	794860972	AUNQIHIGOWNUSS-DTQAZKPQSA-N	413.486	5.023	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCC2CCC(C#N)CC2)cc1	799736165	XDNDAQYJGBVKHA-UHFFFAOYSA-N	409.555	5.184	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1	801660960	LPCSHPNFAXNQRZ-INIZCTEOSA-N	418.312	5.179	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(OCc2nccn2C)cc1	814741322	WJUKGTNKZHFBPQ-UHFFFAOYSA-N	424.719	5.190	30	20	HKED	
O=C(OC[C@@H]1CC1(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	816418113	HEXTUIUZGQGSBA-GULXMPTCSA-N	420.340	5.307	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc(C#N)c1)C(=O)c1ccccc1	834794110	OHVXEJGXVCJSAP-ULJHMMPZSA-N	408.501	5.588	30	20	HKED	
N#Cc1ccc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc1Cl	904471658	DQGWCNJFWXEUJO-UHFFFAOYSA-N	411.852	5.327	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)n1Cc1ccccn1	915200310	YHKPYTSJRQSXCD-SANMLTNESA-N	420.516	5.456	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	916947831	QNRFJWVYCOKREE-FZKQIMNGSA-N	421.478	5.284	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	916947837	QNRFJWVYCOKREE-UGSOOPFHSA-N	421.478	5.284	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S	917457566	LIXHNWOHCMDGHL-UHFFFAOYSA-N	417.582	5.081	30	20	HKED	
CCCCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1	917560016	PWIBMDXKVXNCGG-NTCAYCPXSA-N	422.525	6.206	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCn3ccc4ccccc43)n2)cc1	920138902	LPNZJSUMULPSNV-IBGZPJMESA-N	401.491	5.040	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)on3)CCC2)cc1	1789451591	MPWILCAUPBCZFZ-FQEVSTJZSA-N	421.541	5.314	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCSCC3)cc2)CCC1	1792353461	AAKYRMJWQCMYTJ-OAQYLSRUSA-N	412.599	5.032	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)[C@H](C)CC)C2	1798333026	PJEBQMDZDFBAKL-DFNMRMLDSA-N	422.613	5.223	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2Cl)CC1	1829068747	NXPNOFUHYQQRKD-LJQANCHMSA-N	420.981	5.159	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCc1ccccc1C#N	7017555	JIFGOHXTZCFYSM-UHFFFAOYSA-N	412.445	5.252	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)Cc3cccc4ccccc34)s2)cc1	14621445	HRKILLLOZQKYJX-UHFFFAOYSA-N	416.531	5.036	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)s1	22800314	ZIVVISLHPJVIOO-UHFFFAOYSA-O	405.927	5.187	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(Cl)cc1Cl	46668161	RFHHSGXVJNCODW-UHFFFAOYSA-N	412.276	5.542	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(OCc2ccccn2)cc1	55649902	WJXANMKIKZUYBC-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1ccc(COc2cccc(Br)c2)o1	63962294	ROUGGSMRFXEOAZ-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
C=CCOc1cccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1	65878505	SIIRIVBDUPJYEZ-UHFFFAOYSA-N	405.679	5.401	30	20	HKED	
Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cccc(OCCCC#N)c2)cc1	110430381	RIKKREOBZYRPAB-VWLOTQADSA-N	411.505	5.444	30	20	HKED	
Cc1cccc(-c2nnc(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)c1	212639010	LSYDAWWKYLOFFG-DEDYPNTBSA-N	405.523	5.018	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1O	214135274	GDOZHKVRXQQZTD-WAYWQWQTSA-N	401.178	5.078	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)ccc1OCc1ccccc1	237277471	VJMYFWGVLHSODM-UXHICEINSA-N	416.521	5.416	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1	303555827	KHRSPCCGGVOQOS-VWLOTQADSA-N	402.563	5.813	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCCCC(=O)c3ccc(F)cc3)s2)cc1	426626815	BOGXLWNDJCNXLH-UHFFFAOYSA-N	421.497	5.126	30	20	HKED	
CC(C)(c1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1)C(F)(F)F	429463490	GLANIRBHKMPRHW-UHFFFAOYSA-N	405.420	5.853	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c(Cl)c1	430369928	LBLLHAJMRCCDAZ-UHFFFAOYSA-N	422.724	5.823	30	20	HKED	
Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)sc2ccc(C#N)cc12	431327919	UICZLIZXQYYRTA-UHFFFAOYSA-N	414.515	5.253	30	20	HKED	
CCOC(=O)c1sc2cccc(F)c2c1CN[C@H](CCCC#N)c1ccccc1	433019623	PCNAAYQGRNWYRI-LJQANCHMSA-N	410.514	5.742	30	20	HKED	
Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2s1	433148681	BHQRFNVCNXSNEY-LBPRGKRZSA-N	411.458	5.497	30	20	HKED	
O=C1CCc2cc(NCc3ccc(F)c(C(F)(F)F)c3)ccc2N1CC(F)(F)F	436402970	DLCQQJIBKFGTCL-UHFFFAOYSA-N	420.328	5.298	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc(-c3ccncc3)s2)cc1F	437480554	LIOHWGVNTGMMBS-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1F	437488130	CDOHKKWIZXIMDN-UHFFFAOYSA-N	416.452	5.177	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	439348693	ANGFVFWDRPLTOQ-WIQPIVSASA-N	419.525	5.144	30	20	HKED	
N#Cc1cc(NC(=O)N(Cc2ccco2)Cc2cccs2)ccc1OC(F)(F)F	442039970	DABMNBQRZBUTGP-UHFFFAOYSA-N	421.400	5.346	30	20	HKED	
C[C@H](Sc1ccccn1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	442391241	DPMWGNKYZFZZHA-HNAYVOBHSA-N	407.926	5.510	30	20	HKED	
CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	443140215	BEEFKHSOSLWSLH-UHFFFAOYSA-N	415.522	5.141	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H]2Cc2ccccc2)cc1	443827028	MKNCFDUIFFIMQX-QHCPKHFHSA-N	411.505	5.181	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H]3CCC[C@H]3c3ccccc3C(F)(F)F)o2)c1	446001009	GFGUHXLBYUPBAN-PKOBYXMFSA-N	412.415	5.053	30	20	HKED	
C[C@@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)c1cccc(C#N)c1	461928617	NDEZKQYNYLEEGO-GOSISDBHSA-N	418.516	5.062	30	20	HKED	
C[C@@H](C(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1cccc(C#N)c1	462451677	KBIZOWAKXBGJAR-CQSZACIVSA-N	407.926	5.024	30	20	HKED	
CCCN(C(=O)c1cccs1)C1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1	463667983	ZSNWPSOFUYERKV-UHFFFAOYSA-N	421.488	5.160	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccc(F)cc1	463934050	JVLYMGWGRSMYNS-KRWDZBQOSA-N	420.509	5.187	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C	468896747	JCRNFLPUFPTKPV-INIZCTEOSA-N	421.570	5.772	30	20	HKED	
Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1	473815083	CKUMXZHDFKTYMG-INIZCTEOSA-N	419.554	5.063	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2o1	474211739	MTVIJSOQHPFQCU-IBGZPJMESA-N	407.539	5.272	30	20	HKED	
O=C(NCc1ccc(C(F)F)cc1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	482459474	WXFGKNQMTHQFNN-CQSZACIVSA-N	424.316	5.328	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)c2ccc(Br)cc2n1	483196000	JXGJUMFILAWRNS-LJQANCHMSA-N	416.278	5.344	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1cnc2ccccc2n1	483202542	TZFBFPAYBVXSAZ-INIZCTEOSA-N	403.363	5.204	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc12	483211541	PCNARNRXNAIESM-FQEVSTJZSA-N	408.486	5.434	30	20	HKED	
C[C@H](c1ccccc1)N(C)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2	485990825	RVEAFIJLFMNCIW-MRXNPFEDSA-N	417.534	5.014	30	20	HKED	
N#Cc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)s1	487225827	XGLMVDRTIOFRGU-UHFFFAOYSA-N	415.543	5.633	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccccc1	489694809	ZRIWERUCPRBGKW-IBGZPJMESA-N	424.953	5.630	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cc(Cl)ccc2OC[C@H]2CCOC2)c1	492359535	XQHKAHYBEDQXBD-AWEZNQCLSA-N	421.722	5.002	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)CSc2ccc(C#N)cc2)cc1	496469780	OFNFQJLAQAWLBK-RUZDIDTESA-N	415.562	5.246	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)o1	496689710	NJUARDGDPZKBIA-SFHVURJKSA-N	406.869	5.013	30	20	HKED	
CSc1cccc([C@H](NC(=O)NCc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1	497504907	DLLYCEYCIFPJEI-QFIPXVFZSA-N	423.488	5.147	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@@H]1c1nc(C)no1)c1ccc(C(F)(F)F)cc1	500096097	FUOMMXWZTAFQIX-ZWKOTPCHSA-N	422.451	5.341	30	20	HKED	
C=CCCOCCCCC(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1	501830581	OGESOAPMICNJLP-FQEVSTJZSA-N	415.509	5.082	30	20	HKED	
CN(Cc1ccccc1)c1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1	502448721	YFTBUMUUYLKRRD-UHFFFAOYSA-N	414.509	5.650	30	20	HKED	
Cc1nnc(-c2ccccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1	505439250	FYOHCVLTVOYFDU-KRWDZBQOSA-N	420.881	5.312	30	20	HKED	
Cc1sc(Br)c(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C	507349464	QGGLHGMCICVUDU-HOTGVXAUSA-N	403.345	5.039	30	20	HKED	
C[C@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1ccc(C#N)cc1	507846899	XQWQREOCDRMZGS-HNNXBMFYSA-N	400.869	6.120	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)cc1	508156478	HWAOGLQDCPDSPA-LJQANCHMSA-N	406.526	5.030	30	20	HKED	
N#Cc1ccc(CN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)C2CC2)cc1	510075325	XRROSFNPDONABX-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cccc4)c(F)c3)n2)cc1	511765061	LMHDNYBWPAXULL-SFHVURJKSA-N	417.465	5.239	30	20	HKED	
Cc1nnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1	514723736	XDLVGEMGDNVUCM-LLVKDONJSA-N	423.304	5.277	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	517903107	BEFMKDODJHGVRD-KRWDZBQOSA-N	401.466	5.584	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)c1ccc(Cl)cc1	518756123	ZGMNCJAQAAYRSG-OAHLLOKOSA-N	401.963	5.834	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCc1cccc2ccccc12	520197876	SBQFRZGIFUWBKV-GOSISDBHSA-N	403.551	5.940	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c2ncccc12	520477884	CCUWHGFXNGUTHU-UHFFFAOYSA-N	410.424	5.150	30	20	HKED	
CCc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	521733197	AVOOPQPFPTURGA-UHFFFAOYSA-N	408.445	5.291	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2C#N)C1	521954606	VVCMXDNWECWVMI-CQSZACIVSA-N	414.490	5.056	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1	530669128	WYQSONYIULEWNK-UHFFFAOYSA-N	404.857	5.037	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	533505020	SRTKYDCBDFJSQC-SANMLTNESA-N	409.489	5.190	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)N(CCC#N)CCC(C)C)c1C	534750065	XZFUVJCRABUGDG-UHFFFAOYSA-N	409.530	5.376	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccccc1CCC(F)(F)F	535344206	HYYASDHLDMVGOI-UHFFFAOYSA-N	424.316	5.108	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC(C)C	535971810	PABZJAVCLVPFQB-OAHLLOKOSA-N	400.548	5.459	30	20	HKED	
COc1ccc(-n2nc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2C)cc1	537748501	VOQZUANJMRINEY-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
C[C@H](Nc1ccc(COc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	537993620	QMMQFJPOLYFNOX-INIZCTEOSA-N	417.534	5.127	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)Cc2csc(-c3ccccc3)n2)cc1	539102736	SJMGVKZSHFQBKV-UHFFFAOYSA-N	409.514	5.208	30	20	HKED	
CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1c(Cl)cccc1Cl	540101219	FSUKYALOIXDZKS-UHFFFAOYSA-N	411.288	5.721	30	20	HKED	
COC(=O)[C@@H](C)Oc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541211969	CTGIXDFRNXQGEG-RTBURBONSA-N	414.505	5.016	30	20	HKED	
Cc1cc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)nn1C(F)F	545587558	NTIUTGRSKDEMRY-UHFFFAOYSA-N	412.240	5.341	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1	546083832	JAXYROKTUPCXFH-IBGZPJMESA-N	402.416	5.138	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1c1cccnc1	552742430	RFYUEYQYAHQMEO-JOCHJYFZSA-N	401.441	5.108	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1Oc1ccncc1)c1nc2ccccc2n1C(F)F	555074567	BQUHXLGACMQWMX-INIZCTEOSA-N	404.376	5.109	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1)OCC	555598392	YKFAZUQKMRNYQI-FQEVSTJZSA-N	405.441	5.273	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1Cl)CC1CC1	562168133	FTGGJTVJDCXSFD-MRXNPFEDSA-N	413.974	6.036	30	20	HKED	
CC(C)CN(C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(C#N)cc1	567904670	HKWJQBWNLZBHRD-OAQYLSRUSA-N	404.558	5.054	30	20	HKED	
CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1	573896618	BNQKZNJYJQYWLL-XMMPIXPASA-N	411.505	5.147	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2sccc2C#N)cc1	581420045	OODSMDXDQJRHJW-AWEZNQCLSA-N	407.520	5.050	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1cccc(Cl)c1	592974289	RSIWLJSPLQYLGJ-OAHLLOKOSA-N	424.888	5.327	30	20	HKED	
N#Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1	594668899	SPHCXGWBPIZJAG-UHFFFAOYSA-N	420.494	5.100	30	20	HKED	
C[C@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N(CCC#N)c1ccccc1	603938439	XZKXHHOLTWPYAE-ZDUSSCGKSA-N	418.444	5.009	30	20	HKED	
CCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	604187842	DPBALHBVPOYCEI-UHFFFAOYSA-N	406.482	5.641	30	20	HKED	
C=CCCC(=O)Nc1sc(C(=O)Nc2ccc(C)cc2C)c(C)c1C(=O)OCC	608802361	VJJRGGKECTZJPG-UHFFFAOYSA-N	414.527	5.007	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cs1	609055640	LUBNEJSIINHSTG-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3CN3CCCC3)cc2Cl)cc1	609207168	JKTVYSJWSZBSFD-LJQANCHMSA-N	424.932	5.096	30	20	HKED	
COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	609436689	CUGHYWLPWPQLHY-HKUYNNGSSA-N	409.555	5.328	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1	609448461	QHJKLABGGMQETI-CQSZACIVSA-N	416.472	5.070	30	20	HKED	
N#CCn1c(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc2ccccc21	609475459	JEFCUEQOQSQREQ-UHFFFAOYSA-N	411.396	5.208	30	20	HKED	
CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609499697	OCHUQFPOLWSRIC-UHFFFAOYSA-N	413.477	5.392	30	20	HKED	
N#CCN(C(=O)c1oc2ccccc2c1CSCc1ccccc1)C1CCCC1	609976786	ZQQWFYLYTLGCGK-UHFFFAOYSA-N	404.535	5.775	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)CCCOc2ccc(C#N)cc2OC)o1	610050322	GMXRAQQRCUJLFO-FQEVSTJZSA-N	410.514	5.025	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1sc2cccc(C)c2c1Cl	612206578	QWHVRKYBHPYWDY-UHFFFAOYSA-N	400.887	5.012	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(Br)c(Cl)c1	615759167	QKGWNJBVOQHRRU-LBPRGKRZSA-N	423.763	5.535	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618543095	MAGZJDBQCLNFSV-YUMQZZPRSA-N	424.263	5.022	30	20	HKED	
COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2ccc(C#N)c(Cl)c2)c1	619748780	UKMMUSFVXCDXJF-UHFFFAOYSA-N	408.933	5.129	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1	642281788	QQMRKPUCOWJPSQ-OAQYLSRUSA-N	423.497	5.552	30	20	HKED	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674570499	LXICDRSPAXISJG-DTORHVGOSA-N	412.227	5.049	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1	685178592	VHVKIOJHMPWXED-UHFFFAOYSA-N	422.579	5.154	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)s2)cc1	732989654	NOZDCRDFVDFQPC-HXUWFJFHSA-N	424.476	5.253	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2N2CCCCCC2)c1	733843651	SWIFZWTXKARPTJ-HXUWFJFHSA-N	406.530	5.070	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(C2SCCCS2)cc1	735335582	YCWYMEOMPXFHTR-UHFFFAOYSA-N	419.955	5.468	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(C)cc1	739143529	QONCUMXBPUPXGU-CRAIPNDOSA-N	419.550	5.344	30	20	HKED	
O=C(/C=C\c1cc(Br)c2c(c1)OCCO2)c1cccc(-c2ccncc2)c1	741473506	RIJRQTPMPJUVJK-PLNGDYQASA-N	422.278	5.178	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1ccc(Cl)nc1	743449697	FCKWCKKFVOUUKY-UHFFFAOYSA-N	414.218	5.347	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	744035800	RQULTRBGFPKFAP-USYSOWRXSA-N	420.843	6.248	30	20	HKED	
CCCOc1ccc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)c(OCCC)c1	745626923	VSLCRXIGCBWTNR-LUAWRHEFSA-N	409.482	5.117	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c2Cl)cc1	747193608	KMHCWQQCSQQLCT-MRXNPFEDSA-N	412.946	5.272	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(C#N)cc1	748684303	JXKBDNQQMBOUPB-LBPRGKRZSA-N	414.248	5.365	30	20	HKED	
N#CCOc1ccccc1C(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	750217190	LYLLSPKCQIAEAQ-OAHLLOKOSA-N	403.278	5.068	30	20	HKED	
COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1F	751827633	XBJLBNOBGCXWCU-KRWDZBQOSA-N	422.481	5.106	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(COC(C)(C)C)c2C)cc1C#N	752261307	JRLXDQBAJYTFLR-UHFFFAOYSA-N	424.501	5.394	30	20	HKED	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)c2c1	752583027	QGIWNOHFHCATJI-UHFFFAOYSA-N	424.460	5.008	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1	752674108	FEQYBXVAEALIRB-NHCUHLMSSA-N	420.513	5.337	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCOCC1	756516535	UGUPTRUSBHNJSE-IAQYHMDHSA-N	409.338	5.356	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(F)cc(Cl)c1	757304248	JJQZWNVELFJJGB-SFHVURJKSA-N	408.816	5.233	30	20	HKED	
Cc1nc(C(F)(F)F)c(CNc2ccc(OC(F)F)cc2OC(F)F)s1	759017041	MWJBQAYGVGRZLI-UHFFFAOYSA-N	404.307	5.285	30	20	HKED	
Fc1ccc(C2CC(=NNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)C2)cc1	759196442	MGZALGGUCNWGRX-UHFFFAOYSA-N	401.367	5.042	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cncc(F)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	759218579	ROXPFULEQQUGHD-WCRZRXLSSA-N	407.514	5.035	30	20	HKED	
CC(C)(C)OC(=O)NC[C@@H](NCc1cc(C#N)cs1)c1ccc2ccccc2c1	761331320	RHPXGGUEXUSBCW-OAQYLSRUSA-N	407.539	5.129	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2)nn(CN(C)Cc2ccc(Cl)s2)c1=S	764860926	RARJMRZKVUTBCT-UHFFFAOYSA-N	420.991	5.080	30	20	HKED	
CCCOc1ccc2[nH]cc(C=Nn3c(S)nnc3-c3ccccc3Cl)c2c1	768349035	DVODSQXVSIITIJ-UHFFFAOYSA-N	411.918	5.040	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc(=O)oc4cc(C)c(C)cc34)o2)cc1	768462369	VEFMFVFRORJYNX-UHFFFAOYSA-N	420.490	5.317	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](c4c(F)cccc4F)C3)cn2)c1	769227736	JGEXKVQQUMVSFX-INIZCTEOSA-N	420.419	5.045	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(CCOCc3ccccc3)CC2)cc1	769862604	MQSPAZGXPAEVLO-VWLOTQADSA-N	410.517	5.668	30	20	HKED	
CCN(CC)[C@@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1cccc(C(F)(F)F)c1	780403624	YREPZSSXDNOVPR-SJLPKXTDSA-N	423.504	5.545	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780488198	UADWYVKKGDEFSI-QGZVFWFLSA-N	414.465	5.182	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C	780668058	QOCIVIFIDZEKSF-STQMWFEESA-N	404.297	5.435	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(COCc2ccccc2)cc1	780684451	OIKMBTLMODPCOK-LJQANCHMSA-N	415.493	5.016	30	20	HKED	
Cc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Cl)c1C	783274492	TVOQRDGNYQMNCN-AWEZNQCLSA-N	416.930	5.147	30	20	HKED	
Cc1ccc2cc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)ccc2n1	783512026	QZQDQGAWVNAORV-UHFFFAOYSA-N	414.321	5.279	30	20	HKED	
COc1cc2c(cc1NC(=O)CNc1ccc(Cl)c(C#N)c1)oc1ccccc12	788483478	QTWODNYSHJMTTA-UHFFFAOYSA-N	405.841	5.170	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	792924806	PELAROPPLQKDPN-BAQGIRSFSA-N	415.333	5.322	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(C)Cc2ccc3cc(OC)ccc3c2)c1=S	798179304	UDISBTHYQVZMHR-UHFFFAOYSA-N	420.538	5.111	30	20	HKED	
Cn1nc(-c2ccccc2)c(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c1Cl	810167022	WBWXKNVHFUSUTL-UHFFFAOYSA-N	415.884	5.412	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)[C@@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CC2	815925917	VZHBXAHRWCMWCA-UONOGXRCSA-N	410.445	5.003	30	20	HKED	
COc1cc(C=NO[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)ccc1OC(C)C	852088335	IZDWNYRJOGDSJP-MRXNPFEDSA-N	418.921	5.130	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)o2)cc1	915087666	WBNYTZJIKKOTJL-XMMPIXPASA-N	421.500	5.877	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104764	LDVFDMDGYPZEJV-PWSUYJOCSA-N	424.831	5.612	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1	915990463	LJXLEYUCMXZNLL-JYOAFUTRSA-N	421.380	5.049	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)cc1	916680590	KXGLYHYZGOAHDG-FTJBHMTQSA-N	409.533	5.971	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916681602	UKSMKPUWSDZZQJ-VGSWGCGISA-N	403.913	6.220	30	20	HKED	
C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	916915787	JQMSVXDHMKKRAT-LIRRHRJNSA-N	408.910	5.321	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc2cc(Cl)ccc2s1	917046842	TXZRQDHPTUMKBG-INIZCTEOSA-N	421.909	5.804	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cs1	917560349	WQLJITWIWKXUST-JLHYYAGUSA-N	420.509	5.742	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	919914667	TZKIKSIMKAZGIX-UHFFFAOYSA-N	405.498	5.145	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cccc(C(C)C)c3)n2)cc1	920139393	SUTZICIRXWKSDI-FQEVSTJZSA-N	406.507	5.197	30	20	HKED	
Cc1cc2occ(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2cc1C	920141677	LMXHWBMDAMBLGE-HXUWFJFHSA-N	411.486	5.464	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc5cc(C)[nH]c45)cc3)CCC2)C1	1789015550	CELVMZZECGPJEV-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828410471	SCKFPMQUANQGKF-YADHBBJMSA-N	418.597	5.047	30	20	HKED	
CCCCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1	7819051	PIRPAFIXRKJIPC-JTQLQIEISA-N	412.993	5.075	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccccc2CC)cc1	10173778	ICNWALXFNSPEAY-UHFFFAOYSA-O	423.533	5.125	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(C)c(C)c2)c1	11163315	ZKTBXZFAEGIOOD-UHFFFAOYSA-O	417.598	6.074	30	20	HKED	
Cc1cccc2c1N=C(O)/C2=N\Nc1ncnc2scc(-c3ccc(F)cc3)c12	19332472	UKUJGZGLZKYFJJ-UHFFFAOYSA-N	403.442	5.224	30	20	HKED	
C=CCOc1ccc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)cc1OC	30476488	HFCOUQNKLGZZAJ-UHFFFAOYSA-N	423.534	5.173	30	20	HKED	
CCc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	48161865	SMXNJCVZRAGHFP-UHFFFAOYSA-N	405.523	5.277	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1C(C)(C)C	51677908	ONGWUKRDFGRBPD-GFCCVEGCSA-N	406.433	5.065	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	63341938	RZWSQJVCDLVZDI-UHFFFAOYSA-N	419.484	5.709	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)o2)cc1	63641510	YPALAQFYCVHLHP-GOSISDBHSA-N	410.477	6.191	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C	303294085	XPHNZBRHWBLWJC-UHFFFAOYSA-N	417.557	5.471	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1	410396016	SVCQCVQLPXAPLA-UHFFFAOYSA-N	410.514	5.364	30	20	HKED	
CCCN(C)C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	429094055	CVIPSUPSRALNIR-PGRDOPGGSA-N	424.976	5.191	30	20	HKED	
COc1ccc(OC)c(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437489483	ZQOQSXCUMXFAHO-UHFFFAOYSA-N	420.440	5.078	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1-c1nccs1	438304903	MQERJOJZDOZUND-OAHLLOKOSA-N	409.536	5.222	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1	438417784	GDOGKNYMOZXYHP-UHFFFAOYSA-N	416.481	5.198	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@]34CCc3ccccc34)c2)cc1	439027590	JCUACRFVHGLPOS-VPUSJEBWSA-N	408.501	5.174	30	20	HKED	
N#Cc1ccc(CNc2cc(Cl)ccc2C(=O)N2CCCCC2)c(OC(F)F)c1	439560827	JYNLNWOHTDZXOB-UHFFFAOYSA-N	419.859	5.051	30	20	HKED	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(C)c1	444051058	RKSZOTMTIAHULQ-GOSISDBHSA-N	416.525	5.034	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N(C)[C@@H](C)CC#N	444393192	RKTLUIMYEAZEGB-INIZCTEOSA-N	407.493	5.498	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@H](C)c1cccc(C#N)c1	462498824	CGJSGCVQOXRQMJ-MRXNPFEDSA-N	417.896	5.515	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1cccc(F)c1	468429092	SWRGGYMYABYKPA-KRWDZBQOSA-N	416.452	5.124	30	20	HKED	
CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	468993452	PCRFKKKWHHVZQP-UHFFFAOYSA-N	416.506	5.301	30	20	HKED	
C[C@H](SCc1cc(F)ccc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	469026508	OGAKUCKDSCVUAE-NSHDSACASA-N	411.483	5.662	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12	469765138	SNTXRCVDPJXQGM-ZHRRBRCNSA-N	409.917	5.104	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1C(=O)N1CCCCC1	470507576	NECAFGSIUYFQGK-UHFFFAOYSA-N	423.516	5.412	30	20	HKED	
Cc1cc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(C)c1O	470887020	AOEQXRJILCLOKE-UHFFFAOYSA-N	416.546	5.146	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C(F)(F)F)o1	472339655	CGOXVMFRNRIQPV-UHFFFAOYSA-N	404.319	5.662	30	20	HKED	
C[C@@H](CCNC(=O)Nc1ccccc1S[C@H](C)CC#N)N(C)Cc1ccccc1	472755758	STRDVJQELYHQLG-RBUKOAKNSA-N	410.587	5.113	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nc2cc(Cl)ccc2s1	473485580	BMJLQHGKULEJHU-HNNXBMFYSA-N	419.897	5.102	30	20	HKED	
C=CCCC1(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)CC1	475174210	UWWXLEQINHBUFA-INIZCTEOSA-N	414.937	5.038	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cnc2ccccc2c1	475506392	GUQAJSSNEZKEBA-UHFFFAOYSA-N	415.440	5.441	30	20	HKED	
C=C(C)[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc(F)c(F)c1	475698088	ZANASFLVACXUPJ-JOCHJYFZSA-N	423.419	5.127	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc3ccccc3[nH]2)cc1Cl	476516189	SCHWNVZQSBTQLH-OAQYLSRUSA-N	414.896	5.798	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1cnc2ccccc2n1	483212472	RJAFKIDCANNTKM-CQSZACIVSA-N	424.407	5.262	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2cccnc2)ccc1C	483821747	VSFOKEKPVAAECV-UHFFFAOYSA-N	403.530	5.445	30	20	HKED	
Cc1ccc(C/N=C(/NCc2cc(COC(C)(C)C)on2)Nc2ccccc2)cc1	486701988	BEIVVTBIEZGKGH-UHFFFAOYSA-N	406.530	5.056	30	20	HKED	
C=CCC[C@H](C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1ccccc1	488320757	YFJQWOFPRUKDFJ-NRFANRHFSA-N	413.525	5.012	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1C	489007594	FQKKHVOKRRELFY-UHFFFAOYSA-N	418.806	5.285	30	20	HKED	
CN(C)CCCC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	492211821	VXJDNKRUADBBNQ-UHFFFAOYSA-N	424.520	5.075	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccccc2NC(=O)c2ccccc2)c1	492439389	LCCVMFKELYZYPK-UHFFFAOYSA-N	406.283	5.185	30	20	HKED	
C[C@H](N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1(C)CC1	496378978	NCKDQGMMBJOOBQ-LBPRGKRZSA-N	422.476	5.277	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)c1C	499376295	WFNLCGCTIUNBDB-INIZCTEOSA-N	418.566	5.556	30	20	HKED	
C=CCc1cc(CN[C@H](COc2ccccc2F)c2ccccc2)cc(OC)c1O	500110065	NSVVPZSPQIMITC-JOCHJYFZSA-N	407.485	5.178	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	500214677	KCQMEGRUQLDVAW-NWDGAFQWSA-N	401.322	5.464	30	20	HKED	
N#CCCn1cc(CNc2cccc(OCCc3ccccc3)c2)c(-c2ccncc2)n1	500508147	MXKLLZNJBNVFAV-UHFFFAOYSA-N	423.520	5.092	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1c1cccc2ccccc12	500623220	HGXWKURNOUOYJY-QHCPKHFHSA-N	414.505	5.243	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Cl)c(Br)c3)CC2)cc1	502669826	XMBDYXHMYQYAQZ-UHFFFAOYSA-N	416.706	5.295	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4)nc3)n2)cc1	503502508	GJYMDEFYDYGTHS-FQEVSTJZSA-N	411.486	5.796	30	20	HKED	
CCOC(=O)c1c([C@@H](C#N)C(=O)Nc2cccc3ccccc23)nc2ccccc2c1C	505431990	CMGLEGFMFZOBJY-HXUWFJFHSA-N	423.472	5.119	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F)c1c(Cl)cccc1Cl	505505117	DIAAKNZGYWLSLV-ZOWXZIJZSA-N	411.235	5.079	30	20	HKED	
N#C[C@@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1cccc(C(F)(F)F)c1	505928161	KDPQMPVJANEJMA-WOJBJXKFSA-N	402.416	5.087	30	20	HKED	
N#C[C@H](NC(=O)c1cc(F)c(F)cc1Br)c1ccc(Cl)c(Cl)c1	505959191	DUBBPIHEBXKTAS-AWEZNQCLSA-N	420.040	5.029	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)CC1	506613676	VQQWXLCXONJWSU-UHFFFAOYSA-N	407.408	5.220	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccnc(OC(C)C)c1	506704485	VGQZPCCISHGLKY-UHFFFAOYSA-N	416.481	5.163	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1	506920549	ZMCPMTHDOAJGIE-LJQANCHMSA-N	413.477	5.283	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2c1	507700149	WLAZLYMOXKMRIZ-HNNXBMFYSA-N	417.534	5.625	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1coc(C2CCCC2)n1	509508233	BWYRYWDKCRWVLE-UHFFFAOYSA-N	401.466	5.344	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3CCc3ccccc3)s2)cc1	509648803	BIYMFVFZDCUZNS-OAQYLSRUSA-N	416.550	5.235	30	20	HKED	
C[C@H](NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1)c1ccc(C#N)cc1	510535889	YJYIPFJJWZIJNO-IBGZPJMESA-N	416.525	5.329	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC(C)C)c2cccs2)cc1	510647660	JSWIYHDJWQUNCR-HXUWFJFHSA-N	411.571	5.471	30	20	HKED	
Cc1cccc(OCCCCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1	512802056	QESCWPWFQFPFMU-UHFFFAOYSA-N	404.432	5.007	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1	513671083	GALBSSZIJWTQKT-OAHLLOKOSA-N	422.897	5.050	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	513852756	MFPSOZLCWAXWMZ-ZDUSSCGKSA-N	409.873	5.741	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc2cc(Cl)ccc2s1	515539343	VPIPWLQPKDGGCM-OAHLLOKOSA-N	413.289	5.279	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	518241123	XEFQDLRSLBLDQR-SFHVURJKSA-N	423.582	5.595	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)c1	518743614	HPLLLJNLZHLWQT-FQEVSTJZSA-N	413.521	6.023	30	20	HKED	
C[C@@H](CNCc1cccc(OCCCC#N)c1)Sc1ccc(Br)cc1	518819155	ANTSLOGFXVRAQD-INIZCTEOSA-N	419.388	5.402	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccccc3-c3ccccc3C#N)[nH]c2c1	520308975	AAALMCPMMDNHRZ-DEOSSOPVSA-N	406.489	5.387	30	20	HKED	
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	520827582	OHYAMRMDQLWCBU-KGLIPLIRSA-N	419.344	5.107	30	20	HKED	
N#C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2)cc1	524333463	BMKMORZRCSWPTK-JOCHJYFZSA-N	424.422	5.208	30	20	HKED	
N#Cc1cccc(-c2nnc(CSc3nnc(-c4ccccc4)c4ccccc34)o2)c1	525110425	KXKIHSKWFMZKML-UHFFFAOYSA-N	421.485	5.511	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCc3ccc(C#N)cc3)s2)cc1	527525635	HZHOTVIKBHQMAE-KRWDZBQOSA-N	404.539	5.201	30	20	HKED	
N#Cc1ccc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1Cl	530458740	XITXWFRXIRSWJL-FQEVSTJZSA-N	408.864	5.108	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1Cl	536419855	HURSVHUQSCMTGF-UHFFFAOYSA-N	423.944	5.094	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(N(C)C)c1C	537258728	WLHDDGBVWMROPH-UHFFFAOYSA-N	420.326	5.183	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(F)c1	537423838	WKBDCQHJQBOARH-UHFFFAOYSA-N	410.392	5.305	30	20	HKED	
Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)o1	539551262	PWNVBWSKUMMSJN-SFHVURJKSA-N	400.887	5.006	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1	539755627	YODMAMRYTBSVCO-OFVILXPXSA-N	412.489	5.248	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cccc(OCc2cccnc2)c1	539941033	WJECUALSIQDFKS-GOSISDBHSA-N	417.534	5.094	30	20	HKED	
CC[C@H](C)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C	540855093	MRGWZPKKYLQRKP-KRWDZBQOSA-N	402.498	5.174	30	20	HKED	
CC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	542943021	DTBHFCGHYOBJAI-QZTJIDSGSA-N	411.505	5.106	30	20	HKED	
COc1cc(F)c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	542952947	KUBIPZFHUSCFLV-OAHLLOKOSA-N	419.456	5.264	30	20	HKED	
Cc1ocnc1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543085694	XNDYFDTYSOYJCB-LLVKDONJSA-N	420.231	5.054	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(C(F)(F)F)c1	550721958	UOPWPCHDAMSQLK-UHFFFAOYSA-N	417.309	5.030	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1	567065300	WTGLBGSMCFJVSO-UHFFFAOYSA-N	418.516	5.068	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)n1	571726777	FWGUPMHEFFBLIG-RTWAWAEBSA-N	402.523	5.107	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)c1	589739371	MOVVAPNVWUTDBB-UHFFFAOYSA-N	419.481	5.159	30	20	HKED	
Fc1ccccc1-c1nc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cs1	590599511	ZTLRQVBPWUXTNL-PHIMTYICSA-N	412.374	5.512	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc2cc(F)ccc2s1	592973306	CMGRGXADDIHKOS-VIFPVBQESA-N	419.915	5.764	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603689358	IOMBBFYSKVXHDR-QGZVFWFLSA-N	416.481	5.415	30	20	HKED	
C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604090315	SSBYJBHQFSWELH-AWEZNQCLSA-N	423.925	6.217	30	20	HKED	
C=CCOc1c(Br)cc(CNC(C)(C)c2cccc(F)c2)cc1OC	605825330	MWPLFQYJUKBKMU-UHFFFAOYSA-N	408.311	5.187	30	20	HKED	
CN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc(C#N)cc1F	608798126	GTMZAVKDUNQHBZ-UHFFFAOYSA-N	415.443	5.580	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(CCCc2ccccc2)cc1	608809038	NKJJTWHWYDNKIH-UHFFFAOYSA-N	414.553	5.160	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609061634	RAJLGYLKWHCSNK-UHFFFAOYSA-N	420.896	5.289	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)o1	609173279	NQLROTVKVHKYFW-QFWMQHCXSA-N	414.505	5.296	30	20	HKED	
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	609386987	CCQIKMAQEHQGDA-QLFBSQMISA-N	413.509	5.016	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1ccccc1	609404064	RPXZBNLBYREPKO-RTBURBONSA-N	423.582	5.267	30	20	HKED	
Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl	609507293	BDXAZKBQXXMYSC-UHFFFAOYSA-N	400.869	5.170	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	610219090	VDZJZJZKJMBMFO-LLVKDONJSA-N	401.463	5.079	30	20	HKED	
N#Cc1cc(F)ccc1N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	610277846	YRFUOSMCABYJDU-DEOSSOPVSA-N	420.532	5.390	30	20	HKED	
CC(C)n1c([C@H]2CCCN2C(=O)c2cc3ccccc3n2CC#N)nc2ccccc21	610494164	QIAAEUYMIIKLMU-JOCHJYFZSA-N	411.509	5.073	30	20	HKED	
N#C[C@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccc2ccccc2n1	613291278	ZBWKSRYTERANOH-FQEVSTJZSA-N	406.489	5.315	30	20	HKED	
CC(=O)c1cccc(OCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	615200597	PNZMKQXIWUDGQU-UHFFFAOYSA-N	420.852	5.224	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	618785356	IZIQESVQVJAIGQ-QHCPKHFHSA-N	405.457	5.298	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674443744	HZTFBUDXACIQGU-GASCZTMLSA-N	423.303	5.445	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1C(F)F	676149660	INDZMUXFAMMZST-UHFFFAOYSA-N	417.256	5.010	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccc2ccccc2n1	679978152	UQBZHIJGCKGCDI-OAQYLSRUSA-N	410.860	5.609	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n1	726318037	ABFGETFDQNXWRX-AWEZNQCLSA-N	407.442	5.013	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc(F)cc2F)C2CCCC2)cc1Cl	726484311	JNLPEZOANIBTQX-UHFFFAOYSA-N	405.901	5.631	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1F	726489192	GTWCOJIHKZUJRF-UHFFFAOYSA-N	423.469	5.316	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727791916	VUAZXNFGYLTXEG-IAGOWNOFSA-N	410.304	5.232	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1cccc2ccccc12	728766997	ROLQFUAFOZTEAU-MOPGFXCFSA-N	410.395	5.223	30	20	HKED	
COc1cccc(N=c2scc(-c3ccc(NC(C)=O)cc3)n2CCCCC#N)c1	728775749	BCWBMCDHKNQUEV-UHFFFAOYSA-N	420.538	5.110	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)/C=C/c1ccccc1C#N	730202448	MMJDQKLQURZGBJ-BRADTZPFSA-N	407.926	5.534	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)on1	730990455	WTQSKXTZWMDRHY-OAHLLOKOSA-N	423.563	5.779	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1	733806927	PTSHZNXKEPWLQZ-ILBGXUMGSA-N	413.521	5.151	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccncc2)cs1	734082755	GVHUVALYMVAISE-CVEARBPZSA-N	401.413	5.118	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1)c1ccncc1	734666593	FFRRNGFNRGTTDS-UXHICEINSA-N	405.464	5.804	30	20	HKED	
C=CC[C@@H](NC(=O)N(CCC)[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccncc1	734680784	UWQCCVXZNKIXIV-MGPUTAFESA-N	406.357	6.188	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)/C=C\c2ccccc2C#N)c1C	735460392	KHIZRUPRRWUUPY-YFHOEESVSA-N	411.292	5.320	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](CC(C)C)c3ccccc3)n2)cc1	741113352	QDONDUUOKPDKRD-RTWAWAEBSA-N	404.535	5.825	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2SC)cc1Br	741165983	ULROEQXTVRZAJR-FNORWQNLSA-N	423.328	5.093	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc1	742040122	CQBZBWHFPOZBMN-BUHFOSPRSA-N	403.404	5.055	30	20	HKED	
Cc1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	744034448	CJOHPZWBTDMUOB-SMDDNHRTSA-N	405.306	5.998	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(Cl)nc1	748782234	KQSKYFIHUVFSLU-UHFFFAOYSA-N	415.305	5.017	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2ccccc2n1C	750681141	YCAZNPCBHHECBV-XJKSGUPXSA-N	420.925	5.132	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)nc1	752684538	BKVMTUARZPSZHP-GOTSBHOMSA-N	412.493	5.486	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1	758536250	TVRBBPXTSDXMCL-FCHUYYIVSA-N	403.507	5.009	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc(-c2ccccc2)cs1	759216801	GMXIZZURGYNLLT-GDWUOILNSA-N	415.905	5.901	30	20	HKED	
COc1cc(F)c(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)cc1OC	760270341	OJHZEPOBFYPELS-FPLPWBNLSA-N	403.862	5.516	30	20	HKED	
N#C[C@H](C(=O)CCc1cncc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	765591202	RZDOCUKFNBFXHH-HXUWFJFHSA-N	417.921	5.821	30	20	HKED	
N#CC(CCN1CCC([C@H](O)c2ccccc2)CC1)(c1ccccc1)c1ccccc1	769707823	NGIWOCLZUZAQMR-HHHXNRCGSA-N	410.561	5.332	30	20	HKED	
C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(OCC#N)cc1	775339668	YFQSZZMXZYPFOV-HXUWFJFHSA-N	408.505	5.292	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)Nc2ccccc2O[C@H](C)C#N)cc1C	780165299	RILSPOIZRBHELN-QGZVFWFLSA-N	403.507	5.393	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1Cl)c1ccccc1	780927627	JHOLUNIOZWTCQR-QRQCRPRQSA-N	405.885	5.057	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1	790835087	GELKPFXULHWREV-UHFFFAOYSA-N	408.807	5.088	30	20	HKED	
N#C[C@H](C(=O)CN1CCC(c2cccc(Cl)c2)CC1)c1nc2ccccc2s1	796532804	GMEWVNGLDNTWNH-GOSISDBHSA-N	409.942	5.006	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Oc3ccccc3SC(F)(F)F)CC2)c(F)c1	796921167	VFZOXGLSUDWRHS-UHFFFAOYSA-N	424.419	5.131	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(SC(C)(C)C)cc1C	806249930	JRQMFISMQWHENL-UHFFFAOYSA-N	402.560	5.581	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)OCc4ccc(C#N)cc4F)cc3)o2)cc1	808979650	YJRILZAVKPMFOB-UHFFFAOYSA-N	413.408	5.080	30	20	HKED	
O=C(OC[C@H]1CC1(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	816418114	HEXTUIUZGQGSBA-ITGNNIDWSA-N	420.340	5.307	30	20	HKED	
C[C@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104863	ODWSLMGVQDIXEP-JQWIXIFHSA-N	408.376	5.098	30	20	HKED	
C=CCOc1cccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1	915852382	XAIWNOOFZAPEEB-HAVVHWLPSA-N	416.502	5.100	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccc(Cl)cc3c2C)cc1Cl	916940425	XFMCMKRZAWKFQX-AWEZNQCLSA-N	417.248	5.018	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3-c3ccccc3)n2)cc1	916971966	HDYBQWIQTNIEDL-QFIPXVFZSA-N	424.525	6.041	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)c(Cl)c1)c1nc2cc(Cl)ccc2s1	917047504	YVSLMBCRTDHYRM-LLVKDONJSA-N	411.697	5.512	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccccc4C)CCOCC3)n2)cc1	920109489	GVIPEOOSBLWZMK-FQEVSTJZSA-N	416.546	5.352	30	20	HKED	
Cc1ccc(/C=C/c2cc(C(=O)O[C@H](C)C#N)c3cc(Br)ccc3n2)o1	920704496	KRMUPUCAZACZAU-VUDGCMKMSA-N	411.255	5.138	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1	1831366997	DRLKLFNNZLNMKD-HTAPYJJXSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccncc1	6908598	JAFNPBHQHOSUGK-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1cccc(Cl)c1	10831010	JPSQDUAMYUZNJG-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
C=CCn1c(SCc2ccccn2)nc2scc(-c3ccc(C)cc3)c2c1=O	11260470	GGZKWORDJCVARX-UHFFFAOYSA-N	405.548	5.307	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2ccc(F)c(Cl)c2)c1	22800283	DCFYUACENOBECE-UHFFFAOYSA-O	419.954	5.496	30	20	HKED	
COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1OC(F)F	51152294	JQAGZEHXXHEGBW-HNNXBMFYSA-N	414.433	5.219	30	20	HKED	
N#Cc1cc(NC(=O)c2sccc2-c2ccccc2)ccc1OCC(F)(F)F	60547355	DAWTZHIDQVEHGO-UHFFFAOYSA-N	402.397	5.480	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc(-c2ccc(C)cc2C)s1	61199111	WJCAZLMHIOWPLY-UHFFFAOYSA-N	407.495	5.164	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCOCc2ccccc2)cc1	64919083	CNKYNBDPXHYMIL-UHFFFAOYSA-N	416.496	5.223	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2c(C)cccc2C)cc1	72074633	TWMHVGHXXVFTQS-GOSISDBHSA-N	415.493	5.415	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CSCc1coc(-c2ccccc2)n1	78668755	JXYOLLXPIBIHPI-UHFFFAOYSA-N	409.536	5.219	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1-c1ccccc1	108375480	CNGNXKYSFMIQRF-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1cccc(OCCCC#N)c1	237496127	NOIJCIRBDVYEMO-INIZCTEOSA-N	409.530	5.791	30	20	HKED	
C[C@@H](Nc1nc(N[C@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])s1)c1ccc(C#N)cc1	301306292	YQWQNBPMAHICQY-ZIAGYGMSSA-N	418.482	5.141	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCSc4ccccc43)c2)c1	303585685	GBXFWNISRLJLHW-JOCHJYFZSA-N	400.503	5.104	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Nc2cccc(C)c2)CC1	303831199	HKBMCQKOIHOKSL-UHFFFAOYSA-N	418.459	5.295	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2cccc(SCC#N)c2)cc1	430611945	QECXOTJQAFIKMJ-GOSISDBHSA-N	416.546	5.811	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2cccc(Cl)c2)C1	433294649	AEYFIQYQNDSCCI-SJLPKXTDSA-N	413.974	5.020	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(-c3ccncc3)cc2F)cc1	437240578	MZXTVQPXEJWWOJ-UHFFFAOYSA-N	401.485	5.314	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[C@@H]1c1ccccc1	437860522	GKFMGVAMZXPZOV-BEFAXECRSA-N	417.431	5.157	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1	439129127	HIYUBKFXKCIJCV-WOJBJXKFSA-N	410.480	5.313	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccc4ccccc34)o2)c(OC(F)F)c1	439541182	LHQROBOZBQRCSC-UHFFFAOYSA-N	409.417	5.655	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1	439647238	LZPQUSRCBXEDBV-HNNXBMFYSA-N	407.420	5.376	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)c1	444415230	IQCWRAWNPUBBKM-UHFFFAOYSA-N	415.234	5.336	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CCCC1(C)C	444848866	OEPWPJKTSKJLIC-QFIPXVFZSA-N	405.542	5.846	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1csc2ccccc12	446050934	GRMTWFDYQUPPTI-HNNXBMFYSA-N	408.548	5.897	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	448378234	VAQSAWKUOFSYJJ-FQEVSTJZSA-N	421.932	5.945	30	20	HKED	
CSCc1cccnc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	463591736	QJICXGDYKOBCDQ-IBGZPJMESA-N	407.926	5.506	30	20	HKED	
COc1ccc(-c2n[nH]cc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	463874661	CMTLMZGGHPWWFF-UHFFFAOYSA-N	410.433	5.002	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)c1cccc(Br)c1	463952407	SIHNIQIIWVDREL-KBPBESRZSA-N	403.345	5.443	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cnccn2)nc2scc(-c3ccc(C)cc3)c2c1=O	464570233	OVVCYCMYFBQGJF-HNNXBMFYSA-N	420.563	5.263	30	20	HKED	
CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	467048908	UBYWGKSDOYEWRC-QFIPXVFZSA-N	405.542	5.764	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](C)Cc1cccc(F)c1	468481232	PLYQCICYJBZNCW-INIZCTEOSA-N	403.457	5.401	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	470366568	YNHOBZAVMPAWCC-SFHVURJKSA-N	403.404	5.545	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1-c1ccc(Cl)cc1	470981546	CZVRZYXBWZUFFR-UWJYYQICSA-N	413.908	5.438	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1	471054286	YZXNETULMHCRPL-HXUWFJFHSA-N	424.331	5.253	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1	473574337	KLRUVPDGRMUYGV-HNNXBMFYSA-N	421.953	5.553	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc12	473758940	DMXSOUOLIPYBBW-UHFFFAOYSA-N	422.550	5.451	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(COc2cc(Cl)ccc2C#N)cs1	474401311	DODLUWLPVDTIJC-UHFFFAOYSA-N	411.914	5.494	30	20	HKED	
Cc1nnc(Sc2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)c(C)c2)s1	475531916	VCGFSNJVRHTHDG-QGZVFWFLSA-N	408.552	5.332	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1	475557783	DUGUEWLBBMTCKZ-HNNXBMFYSA-N	415.559	5.363	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1	475565122	WGDRZARVFLPNPG-UHFFFAOYSA-N	423.532	5.560	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1ccc(Cl)cc1)c1ccccn1	475932316	IHTROZTUVXGBSC-HSZRJFAPSA-N	417.940	5.788	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(F)cc1OC(C)(C)C	479158624	MWFRZZOYQMDESG-UHFFFAOYSA-N	402.514	5.391	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)nnc1-c1ccco1	480093535	PQBJRLWHTJCHRX-SFHVURJKSA-N	424.570	5.043	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccc(C#N)cc1	480406371	PNMCNNSHYBQCAG-HNNXBMFYSA-N	406.873	5.068	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1	480565523	USRDDAPPUJWYAM-UHFFFAOYSA-N	405.951	5.068	30	20	HKED	
C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@H](OC1CCOCC1)c1ccccc1	481648774	ZQDBMHCARLVGQI-YZYNAAERSA-N	404.554	5.241	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1cc(Br)ccc1Br	482171895	WTAKCSHRXHBVNG-UHFFFAOYSA-N	411.093	5.029	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1Cl	482813337	PGFGSRIJLNSEKB-INIZCTEOSA-N	400.787	5.665	30	20	HKED	
C[C@@H](c1ccccc1)n1c(SCc2ccc(F)cc2C#N)nnc1-c1ccccc1	483130962	QSFPSNLHNWQROA-KRWDZBQOSA-N	414.509	5.857	30	20	HKED	
C=CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)CC1CCCCC1	484547547	XXQUYUUOOOVBNR-UHFFFAOYSA-N	411.571	5.007	30	20	HKED	
Cc1cc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1Br	486367133	PQTLRAHCVCTGCU-UHFFFAOYSA-N	400.320	5.380	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCc1nc2cc(C(F)(F)F)ccc2o1	488790925	XYVAPXKFWOPCSJ-UHFFFAOYSA-N	403.307	5.424	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1	488982887	NVSPYTJBLLBUCI-GOSISDBHSA-N	408.473	5.101	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@H](c2cccnc2)c2cc3ccccc3o2)CC1	498801033	OOWCXXXLYUSZFI-IJQWPOMLSA-N	423.516	5.769	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1C(F)(F)F	499229338	OCXIRJSRPOQAST-UHFFFAOYSA-N	412.436	5.658	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl	503011243	GJXFKVDMKUYCEF-CYBMUJFWSA-N	416.934	5.080	30	20	HKED	
N#C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1ccc(OCc2ccccc2)cc1	505355392	HVGWUDNPCAMNJJ-IRLDBZIGSA-N	420.559	5.039	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCSc1ncnc2sc(C)c(C)c12	506186297	ANUQVMBJINHFSA-UHFFFAOYSA-N	424.595	5.101	30	20	HKED	
CSc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510215067	ZLBCCAFFAYGNQD-OAHLLOKOSA-N	405.548	5.461	30	20	HKED	
COC(=O)c1ccc(F)c(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	511204197	SFFSAGZEIBTLKK-HNNXBMFYSA-N	409.301	5.024	30	20	HKED	
CCOc1cc(CN2CCC(C#N)CC2)ccc1OCc1c(F)cccc1Cl	512700704	AVHFRNMXIXBUBJ-UHFFFAOYSA-N	402.897	5.192	30	20	HKED	
CC(C)[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccccc2[nH]1	513102098	JRRKQIDYKVRAEZ-DEOSSOPVSA-N	424.504	5.141	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1	514033480	VBBYJKJDULBILJ-LBPRGKRZSA-N	424.353	5.420	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)n2)cc1	516269984	IJXUTHMHKLXQBB-FQEVSTJZSA-N	422.513	5.532	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1	518740065	GBQZNTRCIQXZIG-GOSISDBHSA-N	418.518	5.891	30	20	HKED	
N#Cc1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c1	519123270	REPSWRXITZAVTD-UHFFFAOYSA-N	418.396	5.170	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1	520924017	DMLLSPHOJINCTJ-XYPHTWIQSA-N	415.356	5.586	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)[nH]3)c2)c1	521102288	VUJMQECUHKVOQD-UHFFFAOYSA-N	406.445	5.058	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(Cl)cc1	521720853	YOVZCRXOXQQLOU-HUUCEWRRSA-N	404.988	6.167	30	20	HKED	
CC(C)[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1	522567103	HIGPQPFARHCTNN-FQEVSTJZSA-N	406.473	5.324	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3cccc(F)c3)CC2)cc1	523560555	WORUFUKMKIJEHY-UHFFFAOYSA-N	415.468	5.282	30	20	HKED	
CC(C)C[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)N[C@H](C)c1ccccc1	524257781	BLFRIVMKFFFNIA-AUSIDOKSSA-N	406.574	5.375	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1	525558954	QNWBUYMIPVYZBA-FYYLOGMGSA-N	420.434	5.308	30	20	HKED	
N#CCCN(CCC#N)C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1	525582541	BTMARNXVOCOPOW-UHFFFAOYSA-N	418.349	5.555	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H](CCCO)c2ccccc2)cc1	534920380	VOGCDTAQULNALN-QHCPKHFHSA-N	416.546	5.094	30	20	HKED	
N#Cc1ccc(C2=CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1	535841713	GKJWFGXECZZOEB-UHFFFAOYSA-N	417.516	5.095	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1NC(=O)c1cccs1	536097055	YEKCIYNSHQGBAX-UHFFFAOYSA-N	417.534	5.231	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc([C@H]4CCOC4)c3)cc2F)c1	536459394	MKJAJMACNMQEBO-NRFANRHFSA-N	416.452	5.033	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3cccc(Cn4ccnc4)c3)no2)c2ccccc21	545570323	TVFDMVGUZTVXBW-MDZDMXLPSA-N	420.476	5.020	30	20	HKED	
N#CC1(c2ccc(-c3nc(Cc4c[nH]c5ccc(Br)cc45)no3)cc2)CC1	547103154	HBGSAEJRLHXMRI-UHFFFAOYSA-N	419.282	5.126	30	20	HKED	
CCCc1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1	555820648	WAXVKMDBUCGLIS-UHFFFAOYSA-N	409.873	5.292	30	20	HKED	
Cc1cc(C)n(-c2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)c(C(F)(F)F)c2)n1	564432581	UMMUDQCFZSOZJF-JOCHJYFZSA-N	410.443	5.157	30	20	HKED	
CC(=O)N(c1nc(COc2cc(F)cc(C#N)c2)cs1)c1c(C)cc(C)cc1C	565619489	GJVIAMAGLVSVHQ-UHFFFAOYSA-N	409.486	5.343	30	20	HKED	
N#CC(CCOc1ccccc1C(=O)N1CCCCC1)(c1ccccc1)c1ccccc1	566523351	OVRKWCFGVCFBLC-UHFFFAOYSA-N	424.544	5.591	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3nc(-c4c(F)cccc4F)cs3)cc2)ccn1	571055809	QRICUQCNOPEVJA-UHFFFAOYSA-N	420.444	5.759	30	20	HKED	
COc1cccc([C@@H](CNc2snc(C)c2C#N)c2c[nH]c3ccccc23)c1OC	574923937	JEGYQDVBRSPMME-LJQANCHMSA-N	418.522	5.066	30	20	HKED	
COc1ccc([C@H](Cc2ccncc2)NCc2ccc(-c3ccccc3C#N)cc2)cc1	579335758	MXCLZTHEAOZWGI-NDEPHWFRSA-N	419.528	5.702	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2cccc(F)c2F)CC1	583539898	MLMNLHREXUDVAZ-OAHLLOKOSA-N	415.509	5.628	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCc1ccccc1Br	584249068	RZZKEZWWZFIQHU-UHFFFAOYSA-N	418.379	5.154	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)CCCCCC#N	588934187	JOVSDAMEJYZOML-UHFFFAOYSA-N	406.505	6.144	30	20	HKED	
CN(C(=O)c1cscc1C#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	590254358	KMDJDCWFBYHKBX-UHFFFAOYSA-N	403.385	5.102	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	603968937	NVYKNBGUITZEHI-UHFFFAOYSA-N	423.497	5.791	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3Oc3cccnc3)cn2)c1	604523262	SLUWVMDLKAALGM-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
O=C(Nc1cccc(CC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608334620	AZFUFDSXBZPJKR-PHIMTYICSA-N	422.291	5.386	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1F	608552944	AUKVSIVDGLXWBV-CQSZACIVSA-N	413.449	5.049	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	609046345	CPEPQIVXWSLBOW-HSZRJFAPSA-N	413.477	5.728	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1	609413790	GRMDKBJKFXLXQU-UHFFFAOYSA-N	411.914	5.423	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(Cc2ccccc2F)n1	609786546	QQJBISXQHJETRH-CQSZACIVSA-N	411.527	5.377	30	20	HKED	
N#Cc1ccc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1	609961205	AEWQTRWVWVHXMY-URLYPYJESA-N	404.276	5.898	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(CC(=O)N2CCc3ccccc32)cc1	611482631	RIXADZNQJQYEPI-VWLOTQADSA-N	407.517	5.180	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c12	613292468	KVZYULKHWROLTE-LJQANCHMSA-N	423.520	5.410	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(C#N)c(Cl)c1	619763924	UHLKTOLJAMNKBY-UHFFFAOYSA-N	420.683	5.412	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)NCc3ccc(C#N)c(Cl)c3)ccc2C)c1	619789150	ORKBDRQDPWUXIQ-UHFFFAOYSA-N	406.873	5.338	30	20	HKED	
C=CCN(C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	641902199	HCHFLXWIQMXAGM-UHFFFAOYSA-N	404.413	5.542	30	20	HKED	
C=CCn1c(SCC(=O)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F	645077617	QKBWTNRHMCKWHH-UHFFFAOYSA-N	421.419	5.264	30	20	HKED	
C=CCn1c(Sc2ncnc3c2oc2ccccc23)nnc1-c1ccc(F)cc1	669640137	IVXIOEOSMBLAAB-UHFFFAOYSA-N	403.442	5.111	30	20	HKED	
O=C(c1ccc(F)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	676037581	DDQHOJWRVVDHSM-HTQZYQBOSA-N	411.239	5.047	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	679557105	XJFKIBIJTNLQSE-IUCAKERBSA-N	418.309	5.084	30	20	HKED	
N#C[C@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	685143307	VUMZDBHVRSZHSV-LLVKDONJSA-N	415.318	5.219	30	20	HKED	
C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1nc2ccccc2n1C(F)F	726449672	BHQAYZPMFLNGKN-JTQLQIEISA-N	405.861	5.004	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1Cl	726487062	XRFDEWHUAFCGEF-QGZVFWFLSA-N	407.873	5.177	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3cccc(OC(F)F)c3)SC2=S)cc1Cl	726626177	AHBRJLFDYDSQRZ-VIZOYTHASA-N	422.865	5.219	30	20	HKED	
FC(F)(F)c1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1Cl	727254563	VUHQEKSTTNVKQS-UHFFFAOYSA-N	417.243	5.442	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1	727589052	FZCCXRYNEUWJSN-NVQXNPDNSA-N	409.533	6.144	30	20	HKED	
N#CCOc1ccc(CNC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)cc1	727677481	ADZZPYMKWBAMKR-HAHDFKILSA-N	420.871	5.238	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	728270978	RJCUSJAZAARCCX-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
Cc1occc1-c1nnc(SCc2ccc(OCC#N)cc2)n1-c1ccccc1	729241011	CJDMGYFTDAOTOQ-UHFFFAOYSA-N	402.479	5.030	30	20	HKED	
C[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(C#N)cc1	729830280	PRAYLMFKSGQREJ-SNVBAGLBSA-N	419.731	5.680	30	20	HKED	
N#CCOc1ccc(CNC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)cc1	729969124	BMUQDSIFPKSFDJ-QFIPXVFZSA-N	422.937	5.392	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1F	730687430	VAUBMAWUJGCKLN-ZDUSSCGKSA-N	411.458	5.272	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	731139331	QTCIENIMYOMXPC-RDJZCZTQSA-N	408.473	5.775	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1	731538977	VSUVHMGXLQROOQ-IZZNHLLZSA-N	421.500	5.350	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccc2ccccc2c1	731542042	RUWOBSRFTOPMBU-IERDGZPVSA-N	405.523	5.089	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cccs1	732038390	MNAMOZOIVWNWLZ-IBGZPJMESA-N	412.511	5.216	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	732499074	ILJGDLUOPQSLSI-DZGCQCFKSA-N	414.502	5.693	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1Oc1cccnc1	732710108	FGOHJCRGFMEWMF-UHFFFAOYSA-N	421.913	5.265	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1C	733627444	MZCXSKXWCYLTQA-UHFFFAOYSA-N	414.465	5.570	30	20	HKED	
CC(C)(C)c1ccc(CCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	734082062	WTUQWWAGMTUAHT-FQEVSTJZSA-N	403.551	5.702	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	739157826	XCTHVHXKRLMQKG-IAQYHMDHSA-N	422.859	6.024	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)c1ccccc1SCC#N	740597467	KXSIIPBISPNFEU-INIZCTEOSA-N	408.548	5.576	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	741436202	OMJYNWCIITWCBE-BFHYXJOUSA-N	420.387	5.314	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)cc2c1OCCO2	741840844	AIKRDEUPMKNVKE-FARCUNLSSA-N	410.413	5.017	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)CC2	741846431	AALVPHBMRPSSGU-QGOAFFKASA-N	417.892	5.813	30	20	HKED	
CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	746660636	STLUFOKNOVQSHT-VWLOTQADSA-N	413.521	5.795	30	20	HKED	
O=C(O[C@@H](c1ccccn1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	747340993	YHJPGGGDDCZYLU-LBPRGKRZSA-N	417.227	5.580	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3c(F)cccc3Br)c2)s1	749401060	TVZNVABMOUTKIY-UHFFFAOYSA-N	415.287	5.118	30	20	HKED	
CCOC(=O)C1CCC(=NNc2nc(C)nc3sc(-c4ccccc4)cc23)CC1	750919742	RJTVJLBVRHDZSZ-UHFFFAOYSA-N	408.527	5.188	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	751220895	MPPGUEUZOFOLNA-NFAYLAGKSA-N	413.823	5.275	30	20	HKED	
Cc1cc(C=NOc2ccccc2C(F)(F)F)cc(C)c1OCc1ccccn1	754711885	CXYDALVKZQAWPL-UHFFFAOYSA-N	400.400	5.709	30	20	HKED	
CN(Cn1nc(-c2ccncc2)n(C2CCCCC2)c1=S)c1ccc(C#N)cc1F	754770911	VOFSMJSRCKXODO-UHFFFAOYSA-N	422.533	5.086	30	20	HKED	
C/C(=C\c1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	759205557	DEXGLRSCDGPZBK-XLNAKTSKSA-N	420.868	5.406	30	20	HKED	
O=C(Nc1cccc(/C=C/C(=O)c2c[nH]c3ncccc23)c1)c1ccccc1Cl	761813269	PSWQVNNSMOAJSS-ZHACJKMWSA-N	401.853	5.365	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1	762224706	YKGVFNFZKAZCHK-UHFFFAOYSA-N	421.394	5.158	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cnn(Cc3ccccc3Cl)c2)S1	767887473	HVRRCABSPIKWBS-VXLYETTFSA-N	422.941	5.093	30	20	HKED	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1cccc(C#N)c1C	770334597	VHKBDOYTWWDYAB-UHFFFAOYSA-N	415.877	5.128	30	20	HKED	
Cn1c(C(C)(C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc2ccccc21	771114607	LTEKFCRLYFVYHG-OAQYLSRUSA-N	423.520	5.286	30	20	HKED	
O=C(/C=C/c1ccc2ccc(Br)cc2n1)c1c(Cl)nc2sccn12	771525712	SFDWDHKPSHYALU-AATRIKPKSA-N	418.703	5.256	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)ccc21	777290747	IPZWHDSRWOOSKS-LJQANCHMSA-N	413.477	5.022	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@H](C)c2ccc(OCC#N)cc2)on1	778238782	TWYWBGCFHKDDFK-QGZVFWFLSA-N	413.477	5.257	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccccc1F)c1ccccc1	780158243	LJJNMPLGVVBLEO-KSFYIVLOSA-N	406.482	5.589	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccccc1O[C@@H](C)C#N	780166377	VSMHPXXUHPUNLY-SFHVURJKSA-N	421.500	5.682	30	20	HKED	
CC[C@@H]1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	780312692	LZFSCBGKUXDPCA-LNSITVRQSA-N	409.338	5.498	30	20	HKED	
COC[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2	784957209	SZLQPBSHZLVSEE-XOQYZJNISA-N	418.880	5.070	30	20	HKED	
C[C@@H](Cc1ccccc1)NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1	786060363	DRIDZAGDWXBCPN-IBGZPJMESA-N	415.562	5.249	30	20	HKED	
N#C[C@H](C(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)c1nccc2ccccc12	792096800	RQOZYEMFHSUWFB-JYFHCDHNSA-N	403.485	5.215	30	20	HKED	
N#CCCn1cc(CNc2ccc(OCC(F)(F)F)c(F)c2)c(-c2ccccc2)n1	800290646	MHAWRFTUFJVXPM-UHFFFAOYSA-N	418.394	5.156	30	20	HKED	
C[C@@H](C#N)OCCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1	801651980	HMSQWCPATSZKGQ-AWEZNQCLSA-N	405.445	5.124	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1	801655454	ZTSWPWXGCAKCCA-OAHLLOKOSA-N	422.300	5.332	30	20	HKED	
N#CCc1ccc(C(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1	804578853	IRFXFBYIYPTNRB-QGZVFWFLSA-N	406.700	5.075	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	805858636	SYYNRLVZAXSNIL-INIZCTEOSA-N	421.403	5.108	30	20	HKED	
CCCCCCCCC(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1	900084845	BFDOHWUXBISSJO-MRXNPFEDSA-N	410.484	5.205	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1ccc2ccccc2n1	916848841	JETUQPZCEXIINY-IBGZPJMESA-N	420.559	5.359	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3cccs3)oc2C)cc1	916947972	CVAMQBWOBLTLRU-GUYCJALGSA-N	407.495	5.186	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	916977661	VVLIWWDMWICTLB-IBGZPJMESA-N	422.937	5.865	30	20	HKED	
COc1ccc([C@H]2CCCCCN2CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	917069718	YHHNHHPHNHTYHK-TZIWHRDSSA-N	419.550	5.098	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc(Cl)s3)n2)cc1	920140681	AWBBHNGMXFUHJE-LYASGUKUSA-N	400.912	5.423	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc(F)cc3)n2)cc1	920142800	SRBSEJMHOUDXCK-SFHVURJKSA-N	407.495	5.180	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccc2F)n1	920790453	ZLNPIKFZDDHJBY-KRWDZBQOSA-N	421.497	5.035	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1	1286622841	KXTFDKJPFYLFND-ICSRJNTNSA-N	414.981	5.000	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2cccc(Oc3ccc(C)cc3C)c2)cc1C#N	1624617294	PMITXQOGFHROPZ-UHFFFAOYSA-N	405.479	5.042	30	20	HKED	
C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccco3)cc2)CCC1	1787270246	KVYQMKNCVRJUSX-UHFFFAOYSA-N	422.601	5.078	30	20	HKED	
CCCCC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)ON=C(C)C)cc2)CCC1	1790570104	SYLRKGHIIWAWRS-RBUKOAKNSA-N	415.578	5.138	30	20	HKED	
C=CCC(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(CCCCC)cc3)C2)CC1	1805367988	RUQBPOBTGHHCNY-CCEZHUSRSA-N	422.613	5.240	30	20	HKED	
Cc1cc(C)cc(-c2nnc(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)c1	7159909	JCGJFZCUSCJHOP-UHFFFAOYSA-N	420.538	5.009	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	32628080	CORGLHVBOAJCOZ-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
CCCN(C)c1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	63929709	MORSSPPPOOGLFC-UHFFFAOYSA-N	400.482	5.153	30	20	HKED	
O=C(COCC(F)(F)F)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1	65092574	FKVKYCOFGPGTFM-UHFFFAOYSA-N	411.273	5.154	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(F)cc1Cl	72030892	ZBYPADAWPBCHAO-AWEZNQCLSA-N	409.848	5.582	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2cnc(-c3ccc(C)cc3)s2)ccc1OC	236897179	GRKQPNSQVZUMGZ-LJQANCHMSA-N	407.539	5.098	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1	255935053	CUKCMBXMVPORQJ-UHFFFAOYSA-N	423.335	5.865	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Nc3ccccc3)nc2)c1	303212200	RMZNPLBUFSXHDJ-UHFFFAOYSA-N	410.433	5.121	30	20	HKED	
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccc(C#N)cc1	303654615	CADBATLHPQJKIK-KRWDZBQOSA-N	414.509	5.857	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1C(F)(F)F	429055560	VYCPYHFDMGHCMY-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1ccc(F)cc1	429617031	HXDGECWUSNVRQB-UHFFFAOYSA-N	417.488	5.032	30	20	HKED	
CN(Cc1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1	433667599	RHSHTYRSEFWVJW-AHWVRZQESA-N	424.548	5.627	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@](C)(CCc2ccccc2)C1	435135356	OSLXKEXGLLINSF-YADARESESA-N	407.583	5.958	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1	435358350	PMDWRDBHTGJSTC-UHFFFAOYSA-N	413.836	5.354	30	20	HKED	
Cc1oc(C#N)cc1C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1	435780318	VNBUNXDCZNLPCC-UHFFFAOYSA-N	415.499	5.694	30	20	HKED	
CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	437519055	WEAXFXMGTOECNM-FQEVSTJZSA-N	404.539	5.091	30	20	HKED	
CCSCC[C@@H](C)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	437739868	AUJMHIPGPXSEIN-GOSISDBHSA-N	411.571	5.327	30	20	HKED	
C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)Oc1ccccc1F	438029477	BYGMMBXPRWOUKT-MRXNPFEDSA-N	405.429	5.079	30	20	HKED	
N#CCC[C@@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccccc1	439678865	RLWDNSDYPAMCEM-QGZVFWFLSA-N	408.914	5.056	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1C	441298063	UQYFHVOADWDEDI-HNNXBMFYSA-N	405.361	5.420	30	20	HKED	
Cc1cccn2c(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c(-c3ccccc3)nc12	448134203	HUSGPHIOXYUPGT-UHFFFAOYSA-N	419.444	5.089	30	20	HKED	
C=CCN(C(=O)c1sc(C(F)(F)F)nc1C)c1nc(-c2ccccc2)cs1	463112404	ZZZDVOLOUAWCGZ-UHFFFAOYSA-N	409.458	5.427	30	20	HKED	
COCCc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	466630176	GMVVHABTTVKQLD-UHFFFAOYSA-N	406.869	5.445	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469039879	PYRSFZOCHZQYDT-GOSISDBHSA-N	407.583	5.943	30	20	HKED	
CC(C)[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1F	469354976	QWHYZFCPGKAOIR-HSZRJFAPSA-N	413.924	5.871	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1	472909930	MUYPNPIZTPPHFC-UHFFFAOYSA-N	418.472	5.115	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1-c1nc2ccccc2s1	473759651	GZXBVHJCTMIXMS-UHFFFAOYSA-N	413.506	5.306	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)C(C)(C)C	474157404	XGKZOPFYISLHHW-KRWDZBQOSA-N	413.562	5.317	30	20	HKED	
CN(C)CCc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	474621101	JMDRVSQIPUOICQ-UHFFFAOYSA-N	419.912	5.360	30	20	HKED	
N#CC[C@H](CC(=O)N(Cc1cc(Br)ccc1F)C1CC1)c1ccccc1	474703609	XGMZDUYKXXKZTE-MRXNPFEDSA-N	415.306	5.167	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	475572955	QPCZVSHQCDDPMN-ZJSXRUAMSA-N	419.613	6.055	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cc(Br)c(Cl)s2)cc1	480350890	AWNNNACDFCSWCK-UHFFFAOYSA-N	400.729	5.084	30	20	HKED	
C[C@H](NCc1cc(Br)ccc1Br)c1ccc(C#N)c(F)c1	480668607	LREATOSYRNORGB-JTQLQIEISA-N	412.100	5.073	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	480880653	FLSQJSVQQTZXNN-UHFFFAOYSA-N	421.472	5.198	30	20	HKED	
N#CCCN(C(=O)c1cnc(-c2ccccc2F)s1)C12CC3CC(CC(C3)C1)C2	486556346	GNLXVFFFRSETCC-UHFFFAOYSA-N	409.530	5.274	30	20	HKED	
C[C@@H](Sc1nc2ccc(Cl)cc2o1)C(=O)Nc1sc2c(c1C#N)CCC2	486818838	BZQWZYPAEFWRDU-SECBINFHSA-N	403.916	5.022	30	20	HKED	
COc1cc(C)cnc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	488225235	VIEUWVSOPDQNIS-ZDUSSCGKSA-N	418.305	5.319	30	20	HKED	
Cc1cc(-c2noc([C@H](C)Sc3nc(C(F)(F)F)ccc3C#N)n2)ccc1F	488770700	VKDQQNUIUWDZEW-JTQLQIEISA-N	408.380	5.323	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1C	488877692	HWRMPLKNMREQNG-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	491575642	RSVCEWZXQWZFEM-XMSQKQJNSA-N	423.582	5.184	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C	503552972	VSQQZGJHMOWPGX-HXUWFJFHSA-N	422.495	5.554	30	20	HKED	
N#CCCN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Cc1cccnc1	505893427	GDLMXZHVDZBRSG-UHFFFAOYSA-N	422.872	5.351	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccccc1C(F)(F)F	507131425	AXAGMIAAKGBCAH-CQSZACIVSA-N	424.513	5.972	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CCC[C@@]12CCCCO2	509659533	URLJEPLUKGJWHQ-CTNGQTDRSA-N	418.415	5.033	30	20	HKED	
CC(C)c1ccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	510617648	PRFLFPJLQAIMLP-UHFFFAOYSA-N	423.567	5.147	30	20	HKED	
C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1	513237074	TUBYCKMDZVEVHF-GOSISDBHSA-N	417.484	5.396	30	20	HKED	
CC(C)[C@H]1C[C@@H](CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	513680081	KNTIGALBRRZEQY-XUZZJYLKSA-N	408.517	5.067	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)c1ccc(Cl)c(Cl)c1	517605514	HPMCZIGOQNZNPS-CQSZACIVSA-N	424.081	5.497	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)c1	517655277	FCDJEVIPDKXWNH-QHCPKHFHSA-N	424.953	5.728	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1	518170167	YWSOKSIPOSXKCU-QZTJIDSGSA-N	421.566	6.690	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1	518240219	UXQDJZZZMBPWJC-MRXNPFEDSA-N	416.502	5.998	30	20	HKED	
COCCN(C(=O)Nc1ccc(CC#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	520172047	QDAUNQUNKKOZDQ-OAHLLOKOSA-N	405.420	5.013	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	520271738	GTAIDPLKCVHBIS-INIZCTEOSA-N	402.306	5.420	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1	521086955	FTHVXKQGNLYINN-UHFFFAOYSA-N	419.912	5.389	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)CCCCOc2cccc(C#N)c2)c1	521092359	VZLCQQQSUDUQKB-UHFFFAOYSA-N	402.494	5.238	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1	521189824	VRUYLUVBNQNFKA-UHFFFAOYSA-N	406.530	5.233	30	20	HKED	
C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	521367594	BHKGOKOYPJOYAJ-LJQANCHMSA-N	406.530	5.127	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(C#N)cc1	522435486	SMSQXQHRYGBUFT-SFHVURJKSA-N	412.468	5.042	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CCC#N)C(C)C)c3cnn(C(C)C)c3n2)c(C)s1	523281673	APZUQWBRAMHFED-UHFFFAOYSA-N	409.559	5.122	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccccc1	524441044	PBWWLDCEDPMHDS-VWLOTQADSA-N	411.505	5.815	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ncsc2C(F)(F)F)cc1F	527176378	YKLSGWPNHUBTFU-UHFFFAOYSA-N	407.348	5.217	30	20	HKED	
COc1cc(NC(=O)CCSc2ccc(C#N)cc2Cl)c(OC)cc1Cl	532857028	VOLWQCXCMCYCDQ-UHFFFAOYSA-N	411.310	5.003	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccccc1	535434945	GXAWZBJPYUIABM-INIZCTEOSA-N	424.953	5.630	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)oc12	539499940	NHALXSNKSBUSPQ-SFHVURJKSA-N	403.526	5.018	30	20	HKED	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	541139101	CQGBVJSWPPLEAC-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)NCCSCc1ccccc1C#N	542715947	LEVPMOSLKANLMV-UHFFFAOYSA-N	411.571	5.318	30	20	HKED	
C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2cccc(C#N)c2)cc1	543855969	AYIRSSAQGLPFGM-MRXNPFEDSA-N	424.460	5.035	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	546222586	QGBDTSGFWIIVNZ-KRWDZBQOSA-N	405.420	5.298	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	553330191	ZDMGWDCAXXYLIN-RTBURBONSA-N	423.469	5.180	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc2n[nH]cc2c1)c1ccc(-c2cccc(C#N)c2)cc1	553993139	YWLNUSRZDVRTSU-DLBZAZTESA-N	409.493	5.223	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	557663043	OCGZFYKRCCSZKF-UHFFFAOYSA-N	418.921	5.146	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CCCCC(=O)c3ccc(F)cc3)cc2)ccn1	562182694	KXNDYXNZGZVUPO-UHFFFAOYSA-N	417.440	5.266	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@@H]3Cc3ccccc3)cc2)ccn1	564433371	KRUBFNRDNOLTLL-JOCHJYFZSA-N	412.493	5.375	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564558424	HVYHMCGHHFRWCX-GOSISDBHSA-N	414.509	5.617	30	20	HKED	
C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CC1	583335427	PHJAXSZOBWPUNT-CQSZACIVSA-N	409.411	5.491	30	20	HKED	
Cc1c(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)sc2ccc(C#N)cc12	590033326	XWXZALZEQPJHHM-SIKLNZKXSA-N	404.535	5.321	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccco1)c1cccc(Cl)c1	603739076	BBQHXSNELKBYHO-UHFFFAOYSA-N	424.884	5.206	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)COc3ccccc3-c3ccccc3)cn2)cc1	603765746	XOMLGQAEEVYJIK-UHFFFAOYSA-N	421.456	5.430	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	609177440	UHMYHKSSGDNTLM-WAIKUNEKSA-N	411.461	5.197	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC1CCCC1	609376827	KCKBQXDTNHIKOF-INIZCTEOSA-N	410.539	5.521	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1	609427486	DMHLRMWQUQKRAC-OAHLLOKOSA-N	405.479	5.178	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccccc1	609437579	HMVGMSYBBWVQGO-GHTZIAJQSA-N	421.566	5.163	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccccc1Br	609590304	HLOVSNQOBLIVQI-DYXWJJEUSA-N	405.295	5.087	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609641879	HKERXGJWEPUGCG-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(OC3CCCCC3)cc2)c1C	610054008	HERSJXMXBXQRLR-UHFFFAOYSA-N	414.509	5.325	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cc2ccccc21	610709097	JAEBCUAPFKRFBK-UHFFFAOYSA-N	406.445	5.149	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2COc3c(Cl)cccc32)cc1	610714562	JQULRFZHYOGBBO-HXUWFJFHSA-N	420.921	5.367	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1ccc2ccccc2n1	679978447	ZCUYFMXFSRNIAP-LJQANCHMSA-N	412.395	5.234	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CCSc2ncnc3sc(C)c(C)c23)cc1	726940019	CGKFHTQGLLDTDC-UHFFFAOYSA-N	410.568	5.046	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1	727266940	KMWMUVFMTMDTPS-OQFOIZHKSA-N	420.818	5.567	30	20	HKED	
COc1ccc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)c(OC)c1OC	727655458	WYQLMWCZGGCPMF-ZRDIBKRKSA-N	409.507	5.349	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1Cl	727980272	IKFMFRGFGRQKIB-UHFFFAOYSA-N	423.925	5.608	30	20	HKED	
N#Cc1ccc(SCC(=O)OCc2csc(Cc3ccc(Cl)cc3)n2)cc1	728676441	RMOOYTHNGRSVPM-UHFFFAOYSA-N	414.939	5.094	30	20	HKED	
CC(C)(C)CN(CCC#N)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S	729467799	DKOKGOYSVOKNPU-UHFFFAOYSA-N	401.580	5.399	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccccc1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1	729894644	OOEANEAWGCVQRB-LBPRGKRZSA-N	422.378	5.526	30	20	HKED	
Cc1ccc(Cl)c(NC(=S)Nc2ccccc2SC[C@H](C)C#N)c1Cl	730955275	XDTHRQMJYJSYAI-LLVKDONJSA-N	410.395	6.363	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc2ccccc2s1	734205486	IFHUAZGLCFXKMH-CQSZACIVSA-N	415.478	5.238	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCc1cc(Cl)ccc1OCC#N	735345140	RBXBCQMLNIPWEY-NSHDSACASA-N	414.672	5.060	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)OCc3csc(-c4ccccn4)n3)c2)cc1	738749914	TZOBNSNBDDBIHM-UHFFFAOYSA-N	412.474	5.177	30	20	HKED	
CCc1oc2ccccc2c1/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741843954	RUKRMCMDERBPBF-VAWYXSNFSA-N	422.424	5.227	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2ccc(Oc3ccccc3F)c(F)c2)cc1	742377918	KVMMABAUIPNCOR-UHFFFAOYSA-N	407.464	5.397	30	20	HKED	
C[C@@H]1CC[C@H](CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)O1	744034319	AIAUTCCMOSQSPN-UXIGCNINSA-N	409.338	5.641	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036570	CRUXZRJRUCLJFQ-XJKSGUPXSA-N	400.425	5.809	30	20	HKED	
C=C(C)COc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OC	747063930	ROWKJUSZNVETHQ-SDQBBNPISA-N	408.498	5.076	30	20	HKED	
CCOCc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)ccc1OC	747614624	KIIUOPQYCLIELD-YVMONPNESA-N	408.466	5.451	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NCCNc2ncccc2C#N)cc1	752716242	XRVRTELMIZZWFV-QGZVFWFLSA-N	417.538	5.040	30	20	HKED	
C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc2ccccc2s1	754697883	DWBJQEMGXPQGPQ-AWEZNQCLSA-N	424.595	5.178	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1nc(O)c2c3c(sc2n1)CCCC3	756505360	QCLUWFBGHPKKFC-JYYAWHABSA-N	409.555	5.058	30	20	HKED	
C=CC[C@H](NC(=O)N1Cc2cc(OC)ccc2C[C@H]1c1ccccc1)c1ccncc1	759583628	RXTNFLVDOVDSCE-DQEYMECFSA-N	413.521	5.217	30	20	HKED	
Sc1nnc(CSc2ccccc2)n1N=Cc1csc(Cl)c1Cl	761827897	XNLIOLXGSFBRID-UHFFFAOYSA-N	401.369	5.110	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c2c1	764749311	DDYAXTUDNKLYSJ-UHFFFAOYSA-N	417.296	5.123	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OCc2cccnc2)c1	766483280	GDIVYMXOUWFRTH-TWGQIWQCSA-N	424.840	5.127	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cncc(C)c2)cc(Br)c1OC(F)F	767366797	JDIAXPCIRWFZQG-PLNGDYQASA-N	412.230	5.049	30	20	HKED	
COc1ccc(C(=O)[C@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)cc1Cl	769545439	XNNQVULAXRIXTQ-HNNXBMFYSA-N	424.884	5.035	30	20	HKED	
COc1cc(F)c(C(=O)/C=C\c2ccc3ccc(Br)cc3n2)cc1OC	771523506	ATDJFOFFIJZHPS-FPLPWBNLSA-N	416.246	5.050	30	20	HKED	
CN1C(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(=O)C12CCCCC2	771817348	IZCOYSODHFDMDS-IBGZPJMESA-N	407.901	5.097	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F	776858441	JCYQSOKJNQPNNT-UHFFFAOYSA-N	410.395	5.745	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCOc3c(F)cccc32)cc1	778255091	AQVYHSBSALIRPH-GMAHTHKFSA-N	415.468	5.517	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1	780673079	NLAWJINEJAMSCB-NVXWUHKLSA-N	420.538	5.601	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)ccc1OC	781906297	XBDDPFBPBKOKHB-JTSKRJEESA-N	404.913	5.656	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	787398699	BCZWMHSNRLVYHU-RBUKOAKNSA-N	401.432	5.537	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1	788311818	NBUJVUUOLDYFPT-FQEVSTJZSA-N	423.557	5.774	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C	789450671	FPCFXYILPBQQKJ-MSOLQXFVSA-N	415.578	5.306	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2)cc1	790090658	RZGBDDBECRUESO-UHFFFAOYSA-N	411.288	5.744	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1	790871965	HRLQDXHSMQFROB-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)sc2cc(F)ccc12	805856644	ZYEYXDQKDJKVHZ-SFHVURJKSA-N	402.450	5.463	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1	808337619	VNNMEAYSXSKUSY-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
C/C(=C/c1cccc(C(F)(F)F)c1)CNc1ccc(N2CCC(O)CC2)c(C#N)c1	808390702	APTDSOPUEKXNOE-WJDWOHSUSA-N	415.459	5.054	30	20	HKED	
CC(C)[C@@H](c1ccc(Br)cc1)c1noc(-c2ccccc2OCC#N)n1	809441775	LABCQBNPTLIDGZ-SFHVURJKSA-N	412.287	5.189	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1	810823002	FLHPVIHJAGEXRG-CMDGGOBGSA-N	404.495	5.151	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	915180932	SPNQYBZUYKHTIM-UEVZPOJISA-N	424.500	5.567	30	20	HKED	
Cc1ccccc1N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	915353837	YDLVCWXBWASTDW-DEOSSOPVSA-N	410.521	5.005	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1ccc2ccccc2n1	916848692	GGBKVYUEAAHQJW-VGZDNEPHSA-N	400.787	5.797	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3cccc(C)c3)sc2C)cc1	916896202	AGKVTVKWQXBGKA-FQEVSTJZSA-N	404.491	5.002	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cnc2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1	916977447	QWUHHNLRERPHNS-FVNWOWOISA-N	416.893	5.296	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(N2CCCCC2)cc1	917166246	ZPEJLPNRZZIBCW-UHFFFAOYSA-N	409.533	5.188	30	20	HKED	
Cc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccccc3Cl)cs2)cc1	918709761	VLFASJWXMBISKG-UHFFFAOYSA-N	411.943	5.201	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(F)ccc1F)C(=O)Nc1ccccc1Oc1ccccc1	920108577	HDNAENHTHCVSQK-LJQANCHMSA-N	420.415	5.037	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(C)c(C)c3)n2)cc1	920141625	GGYLKZCMKVNUPF-HXUWFJFHSA-N	418.518	5.275	30	20	HKED	
N#C[C@@H](COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)Cc1ccc(F)cc1	920879956	PEMVZMRCCNVVRQ-HNNXBMFYSA-N	414.889	5.071	30	20	HKED	
CC[C@@H](C)[C@@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1ccccc1	1787886166	IRUIAFIKTDLRQE-NTKDMRAZSA-N	417.553	5.254	30	20	HKED	
N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@H]54)cc3)CCC2)CC1	1789191005	VVPAMNOJRCJDJU-VLCRHTCISA-N	419.569	5.031	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C)CCC2)cc1	1789453312	VNBLDOUUFBIFLE-NRFANRHFSA-N	406.526	5.413	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1	1789455773	CLFSXZHEZWBPLB-IBGZPJMESA-N	423.944	5.251	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1	1789456063	JTDQCFBLXAGIGH-HSZRJFAPSA-N	413.521	5.074	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1	1831377063	UPUCWZFELULCBG-BWKNWUBXSA-N	424.629	5.184	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)c1	5778847	KAZLQYAKBSBJIT-UHFFFAOYSA-N	420.538	5.009	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(C)cc1C	10168523	BTNHUFYQERIVEK-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1ccccc1)c1ccc2c(c1)CCC2	10831202	QKALBJKIJXSCTB-UHFFFAOYSA-O	407.946	5.167	30	20	HKED	
Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3F)n2Cc2ccco2)c1	11538119	XDZSXAQFOFGZQZ-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCSc2ccccc2Cl)n(Cc2ccco2)c1C	14787484	ZYCDGSBNLHFYMX-UHFFFAOYSA-N	413.930	5.392	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)n1	22360858	PEVWQWSGLPKXLU-KRWDZBQOSA-N	403.507	5.482	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1	45718068	YDTNOBXXENGLLO-UHFFFAOYSA-N	417.962	5.038	30	20	HKED	
CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	46220218	GETGFMFGOFIJAH-UHFFFAOYSA-N	415.518	5.556	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c(C)nn(CC(C)C)c1C	56469879	PHPZVQCJLXCHLX-UHFFFAOYSA-N	416.525	5.310	30	20	HKED	
CC(=O)CCc1ccc(OCCC(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	58688808	FUEGEPBCWHWSCG-UHFFFAOYSA-N	418.518	5.216	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(c4ccccc4)CC3)cc2)cc1	195708776	FUTADBOBHATJAJ-UHFFFAOYSA-N	412.493	5.095	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccnc2SCC2CCCCC2)c1	303638199	QFGRWIBMZCWGSC-UHFFFAOYSA-N	409.555	5.689	30	20	HKED	
CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2=O)cc1	303969409	ZMUGOYDIVMXXLI-PXNSSMCTSA-N	421.566	5.196	30	20	HKED	
Cc1sc(NC(=O)c2c(F)cc(C#N)cc2F)nc1-c1cccc2ccccc12	426414955	BZCAWLZNEDVDGI-UHFFFAOYSA-N	405.429	5.674	30	20	HKED	
N#CCSc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	432236467	VARAJLMYSKWKTF-CQSZACIVSA-N	411.458	5.194	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1Oc1cccnc1	432759905	LBDCRMCKGXIIAX-QFIPXVFZSA-N	400.482	5.739	30	20	HKED	
N#C[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)C[C@H]1c1ccccc1	432770086	VGSPCAYNQRLWDK-NQIIRXRSSA-N	403.432	5.403	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1)c1ccccc1	435599941	WWRSRNZLGVEXMI-OAQYLSRUSA-N	403.482	5.669	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1F	437460741	NPWMMBQXBRVNPR-UHFFFAOYSA-N	400.331	5.761	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1F	437481002	APIHDKGLVNBKAJ-UHFFFAOYSA-N	423.425	5.129	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCc1cc(C#N)ccc1F	437993421	DZDZOTRJCQJCIL-KRWDZBQOSA-N	403.457	5.468	30	20	HKED	
CCOc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438647559	HGZXLNKTZGYODW-UHFFFAOYSA-N	419.456	5.552	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1	442061202	KYNRSQNBZBHEKP-LBPRGKRZSA-N	406.255	5.004	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	443883208	UVOWOPCGYQXSDG-UHFFFAOYSA-N	401.413	5.185	30	20	HKED	
C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	444674292	KGIYATWGEBMFFQ-CYBMUJFWSA-N	409.358	5.032	30	20	HKED	
O=C(Nc1cnn(C(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444858699	XNHQSNRZCBWTNN-LLVKDONJSA-N	416.272	5.112	30	20	HKED	
CCc1noc2ncc(C(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)cc12	460153824	ZESQAVYVBKXQJH-UHFFFAOYSA-N	416.868	5.157	30	20	HKED	
CCOc1ccc2ccccc2c1OCC(=O)Nc1ccccc1S[C@H](C)CC#N	463752557	COLRADQMUFINLQ-QGZVFWFLSA-N	420.534	5.650	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464464329	HDXIFSCCNMHVML-SFHVURJKSA-N	418.378	5.201	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)c1cccc(F)c1	468811588	CSFBZBUKVVLCCL-INIZCTEOSA-N	402.425	5.337	30	20	HKED	
CC(C)[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1F	469354988	QWHYZFCPGKAOIR-QHCPKHFHSA-N	413.924	5.871	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	470884089	VBNLMBUSXDZTNV-XXBNENTESA-N	409.489	5.328	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(F)c3)o2)nnc1-c1ccc(F)cc1	476511894	RUYIASFLTWBRNI-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	479515729	SOTIWFPCVJFEGO-UHFFFAOYSA-N	415.518	5.556	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)c1cnc2ccccc2n1	483230908	QKBNYBGCOMOLLZ-KRWDZBQOSA-N	417.827	5.705	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	483981874	PCQNHTGBCZXFQQ-OAHLLOKOSA-N	420.683	5.605	30	20	HKED	
N#CCn1c(/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)nc2ccccc21	485979770	QMFYIAGDBVJPQJ-SEYXRHQNSA-N	412.880	5.636	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N(Cc1ccccc1)c1ccccc1	487382649	VXQMNJJNPIFYLW-HXUWFJFHSA-N	415.562	5.726	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1	489530054	CLTWRCQUWPNMLC-UHFFFAOYSA-N	419.978	5.410	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	490808673	CSXKDQXIYZLSAV-UHFFFAOYSA-N	404.470	5.186	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	494198167	LHDQGRFULGSEIT-OAQYLSRUSA-N	418.884	5.536	30	20	HKED	
CCC[C@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N	499058711	XOLCGVIAABOKPU-DNVCBOLYSA-N	413.509	5.074	30	20	HKED	
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	500768503	OTIVOEMPCIGJPH-KRWDZBQOSA-N	402.450	5.074	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(S[C@H](C)CC)cc2C)cc1	502521473	SGGVTNXSILUNNU-MRXNPFEDSA-N	412.559	5.837	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(OC2CCCCC2)c1	503067352	FSDLCSYISLUQHR-UHFFFAOYSA-N	420.557	5.033	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1	505833827	QOBSNMMVONTAFO-FQEVSTJZSA-N	405.473	5.092	30	20	HKED	
CCc1c(C(F)(F)F)noc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	505934667	CDGSWORBIMCKJF-UHFFFAOYSA-N	415.371	5.481	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3scnc3c2)cc1	505936385	CQRKAGSUTPQPTQ-UHFFFAOYSA-N	401.516	5.713	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F)c1ccc(Cl)c(Cl)c1	505982181	QARDVFWYVJZXTC-XEZPLFJOSA-N	411.235	5.079	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21	506390580	YPIRIDZWBMEQEM-UZLBHIALSA-N	423.586	5.449	30	20	HKED	
C=CCOc1ccc(C(=O)c2ccccc2)c(OCc2csc([C@@H](C)OC)n2)c1	506673205	FYYYOVHMFLHWEO-MRXNPFEDSA-N	409.507	5.225	30	20	HKED	
COc1ccc(CN[C@@H](C)Cc2ccc(Cl)cc2Cl)cc1OCCCC#N	507913117	JFTDOPPMNPCSBG-HNNXBMFYSA-N	407.341	5.405	30	20	HKED	
CC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(C(C)C)c1	508363692	OTUJFBBITVQETA-UHFFFAOYSA-N	408.521	5.298	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1	510683274	OVTOELRVFYOKQC-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3cccs3)C3CC3)c2)c1	511496433	FAWMWNSHGQPLLW-UHFFFAOYSA-N	416.506	5.069	30	20	HKED	
CSc1ccccc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N	511933035	WFUGJMSZSMTEEC-HNNXBMFYSA-N	402.610	5.675	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nnc(-c2cc3c(s2)CCCC3)o1	512532510	RHFUZKVTLVQYTD-UHFFFAOYSA-N	411.575	5.033	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(C(F)(F)F)cn1	513209489	CWTHXTCWFRFBKS-GOSISDBHSA-N	424.382	5.234	30	20	HKED	
CCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	516269870	BIUSPYLHBLEPML-OAQYLSRUSA-N	415.518	5.741	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	517303017	KRNMFRVGSFDGLS-QFIPXVFZSA-N	408.473	5.328	30	20	HKED	
N#Cc1cc2c(nc1SCc1nnc(-c3c(Cl)cccc3Cl)o1)CCCC2	523227670	JHRVCJMWPXDLRV-UHFFFAOYSA-N	417.321	5.481	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1	533368905	APANHOLQTNOLCK-HXUWFJFHSA-N	415.971	5.099	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(Br)cc(C(F)(F)F)c2)n1	535199837	GRVLMVYDVADZGP-LBPRGKRZSA-N	417.250	5.538	30	20	HKED	
N#Cc1ccsc1NC(=O)CN[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21	539333141	WERZJXBWMVWTLP-FYYLOGMGSA-N	401.535	5.009	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1	540150425	HPLHFVVKWWYTPL-YWZLYKJASA-N	402.460	5.948	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	540724040	UCGORXQEBCASSY-QHCPKHFHSA-N	415.924	5.542	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CC2CCC(C(F)(F)F)CC2)c1C	544005939	CINRVSGZCMSOTA-UHFFFAOYSA-N	404.436	5.058	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C[C@@H](C)O)C1CCCCC1	544534343	FAZIUXUVKAWCTM-GOSISDBHSA-N	407.514	5.206	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	546003932	AWYLMJIZIUQMBH-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
N#Cc1ccc2ncc(CN[C@H](c3ccc(Cl)c(C(F)(F)F)c3)C3CC3)n2c1	551805063	NMTLFIGAIMDWJF-IBGZPJMESA-N	404.823	5.119	30	20	HKED	
CCC[C@@]12CCCN1C(=O)N(c1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)C2=O	552775772	JXGMQTNTPLOTQQ-QFIPXVFZSA-N	409.873	5.105	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21	554206874	RVGJWNCWTNVPAH-JWUVWSEFSA-N	405.567	5.738	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1	555259332	ZPBNEGGWCDZKGU-KKSFZXQISA-N	419.554	5.030	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	570608640	GOHKAGUSJBACGC-STEAMIEHSA-N	420.479	5.168	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	573097435	GRPKCYQTMQKRSS-IFXJQAMLSA-N	424.957	5.686	30	20	HKED	
CC(C)OCc1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1O	582388448	NSRPIXBXVKFPJJ-UHFFFAOYSA-N	417.465	5.625	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	588151669	GJCPJOIRGALHTG-QGZVFWFLSA-N	408.461	5.111	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)CCCCCC#N	588620496	LQZUCHRTUUUSJD-UHFFFAOYSA-N	406.505	6.144	30	20	HKED	
COC(=O)[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(OC)c1	600848537	ULOIBGIUQDHPLL-JOCHJYFZSA-N	422.868	5.339	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)cn2)c1	603829196	MXMRXUHJLYJVRL-UHFFFAOYSA-N	418.884	5.595	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1	605415112	DJXCTDALVIKKGP-NRFANRHFSA-N	418.497	5.451	30	20	HKED	
CCN(Cc1nnc(-c2c(Cl)cccc2Cl)o1)[C@H](C)c1ccc(C#N)cc1	608832367	IVQJHUKWKILEOW-CYBMUJFWSA-N	401.297	5.498	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc2ccccc2n1CC#N)C1CC1	609166927	PDMQITOKNIDFRJ-HNNXBMFYSA-N	411.427	5.549	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)c3cc4ccccc4n3CC#N)c(C)c2)c1	609228191	IHJIYFRQBQXJSI-UHFFFAOYSA-N	409.489	5.613	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1Cc2ccccc2-c2ccccc21	609385368	XBQXBDMERHKUTA-SFHVURJKSA-N	413.546	5.564	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl	609387194	SEQUJUMPIFECHV-QWHCGFSZSA-N	408.354	5.684	30	20	HKED	
N#Cc1ccc(SCc2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc1	609475536	GOTIKLDRVZVPRS-UHFFFAOYSA-N	423.501	5.299	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)C1CCC(C)CC1	609576582	QNWKWDYTPADMRP-VJVDVCSOSA-N	420.601	5.338	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1	609622190	DRGYIFDLIKBWSU-UHFFFAOYSA-N	407.857	5.063	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)CCCOc2ccc(C#N)cc2OC)o1	610050324	GMXRAQQRCUJLFO-HXUWFJFHSA-N	410.514	5.025	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(-c3ccncc3)cc2)c1	610052960	YIGMIRCHALGXEK-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(OCc2ccccc2)cc1	610239834	NKXSZTSENIWMHK-OAQYLSRUSA-N	400.409	5.146	30	20	HKED	
N#CCC[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1	610973806	YSHQAWLGOGOADO-DZKIICNBSA-N	421.385	5.240	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)cc1	611048509	VJRNGDRCGFVIRG-NRFANRHFSA-N	417.440	5.477	30	20	HKED	
O=C(N[C@@H](c1ccccc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618555654	SKGDDAIWGGPIIR-TUAOUCFPSA-N	422.291	5.062	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1	618892984	ULBKUUYTYILZME-HSZRJFAPSA-N	409.514	5.140	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc2ccccc2n1	684011148	OOSACRVOUJWYQF-QGZVFWFLSA-N	401.372	5.190	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)cc1	727764369	XATBZSPWHSKYMC-XMMPIXPASA-N	416.546	5.096	30	20	HKED	
O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccccc1I	727780623	QNUYJMJHYVFAFX-AATRIKPKSA-N	423.300	5.372	30	20	HKED	
N#C[C@@H](NC(=O)COc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1	731645666	PPKARBMTRPYAJM-CQSZACIVSA-N	404.080	5.060	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2ccccc2C(F)(F)F)nc(-c2ccccn2)n1	733081164	PSSAGYOIXCMTMF-UHFFFAOYSA-N	411.309	5.022	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(Cc4cc(Cl)ccc4OCC#N)CC3)c2c1	735308189	DYKLMZVBEHPHEP-UHFFFAOYSA-N	409.917	5.112	30	20	HKED	
CCN(CC)C(=O)[C@@H](SCc1cc(Cl)ccc1OCC#N)c1ccccc1	735320304	QEZZGZJSZRGHLX-FQEVSTJZSA-N	402.947	5.085	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	739157856	XXKMFYDXTDQKNG-XHDPSFHLSA-N	422.859	6.024	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cs2)o1	739600633	ZXJHLPOIQJYLMI-UHFFFAOYSA-N	419.531	5.171	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1cccc(C(F)(F)F)c1	744015960	FSHDKLURGBZMKD-HGZMWJMZSA-N	410.395	5.490	30	20	HKED	
CSc1ccc(F)cc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	745928206	AOLPULANBZIKFV-OAQYLSRUSA-N	405.498	5.525	30	20	HKED	
O=C(/C(=C\c1cnn(-c2ccccc2)c1)c1nc2ccccc2s1)c1ccccc1	747004037	WBNZRHXBGNEJAY-RCCKNPSSSA-N	407.498	5.906	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1csc(-c2ccc(Cl)cc2)n1	747693814	PRCGOJQEVMSXSJ-NTMALXAHSA-N	412.898	5.327	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(C)=NNc1nc2cc(C(F)(F)F)ccc2s1	747763977	KBNSJHPFQDRQDF-UHFFFAOYSA-N	422.432	5.118	30	20	HKED	
C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ncc(-c2ccc(Cl)cc2Cl)o1	753385416	SJCRNQLFEALCNJ-VIFPVBQESA-N	423.202	5.716	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-]	758474711	WWYNHCAKRXGRLC-UHFFFAOYSA-N	419.412	5.054	30	20	HKED	
C#CCCCCCOC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1	760268712	LKEJTSCOIDUJTB-UHFFFAOYSA-N	404.304	5.082	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3OCC#N)cn2)cc1	760795596	CJGGZBLEYCXZRB-UHFFFAOYSA-N	419.456	5.465	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1	762776813	FGBDILOOTDABNY-AOMKIAJQSA-N	416.352	5.645	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(F)cc2Br)S1	767718257	SGIYOILDEBXLPH-OVCLIPMQSA-N	405.292	5.097	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1	779103927	GGTIPRKJCRUQTA-RDGATRHJSA-N	404.485	5.394	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CCC2	780529915	GDMSFJKXVNYKQE-HXUWFJFHSA-N	404.495	5.315	30	20	HKED	
COc1c(Br)cc(Cl)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780575300	BQVKWCKTWQCIFT-JTQLQIEISA-N	424.682	5.046	30	20	HKED	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OCCCC(C)(C)C#N	783917058	WIKJMOMSLNPGLZ-UHFFFAOYSA-N	410.898	5.182	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F	790436978	CULLYGXHNDACOA-UHFFFAOYSA-N	419.412	5.054	30	20	HKED	
O=C(O[C@@H](Cc1ccc(F)cc1)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl	791003983	KFGFRIYAAHDWAI-LBPRGKRZSA-N	415.692	5.223	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C[C@@H]1C2(Cl)Cl	791185866	UENUKBMOWXQCCC-AZUAARDMSA-N	419.283	5.146	30	20	HKED	
O=C1COc2ccc(/C=C(\C(=O)c3ccccc3)c3nc4ccccc4s3)cc2N1	794932764	YPJQHVPTPKPPOO-SFQUDFHCSA-N	412.470	5.051	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)sc2ccc(C#N)cc12	796775339	QQINSJAVIQMSSE-INIZCTEOSA-N	400.488	5.090	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c(Br)c1	797567305	GGTCGDSWEGLUHV-STQMWFEESA-N	421.360	5.155	30	20	HKED	
O=C1/C(=C/c2ccc(-c3nc4ccccc4s3)o2)C[C@@H](C(=O)O)c2ccccc21	806561769	ZTBPWBJENXUPGQ-MLFXKNMZSA-N	401.443	5.395	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(=O)c2ccccc2)c1	813217971	KYZPRZPKZZWIDE-QRWLVFNGSA-N	422.406	5.311	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccc1	817320150	YTTRXKRCEHPDIU-DQEYMECFSA-N	424.500	5.306	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc(OC(F)F)cc2)cc1	915084921	AWVYVPCQVUUOIJ-QFIPXVFZSA-N	406.432	5.515	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2ccccc2o1)c1nc(-c2ccc(Cl)cc2)cs1	915101818	LSYKZXSDBMQUSC-OAHLLOKOSA-N	407.882	5.414	30	20	HKED	
N#Cc1ccc(OCCCSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1	915791328	IVZFPPYLUCMJQJ-UHFFFAOYSA-N	416.506	5.019	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cc1	916882669	JHXBQGHXUKYUAG-JARZOMNASA-N	424.884	5.568	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)s1)C(=O)Nc1ccc(SC(F)F)cc1	916888780	YMKPOBPVNZTENQ-IYNGYCSASA-N	412.870	5.077	30	20	HKED	
Cc1[nH]c2ccccc2c1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	916907577	JSMIEWBOLHEXLX-OAQYLSRUSA-N	423.472	5.159	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(SC(F)F)cc1	916928651	QFUFVEFULRISMK-LBPRGKRZSA-N	415.248	5.269	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1	921118019	KFFBCCOHVOBRRC-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5[nH]4)CCC3)cc2)C1	1785807594	LYAJWPAUFCRGHQ-UHFFFAOYSA-N	417.484	5.021	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1	1819556083	SCBFSBHUSDVUGB-IBGZPJMESA-N	400.567	5.141	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CC(=C)C)CC1	1828827246	TXMSWZSYPKESAH-DHIUTWEWSA-N	414.634	5.367	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccccc1C#N	5866746	YYVYWHYKPGCALI-OAHLLOKOSA-N	421.526	5.034	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(F)cc1	6097118	XZQMZUDSUMJAKZ-UHFFFAOYSA-N	424.545	5.433	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2cccc(C)c2)c1	10174677	GYZMYPNYRNOJTN-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccc(F)cc1	11200307	WCXVXZGFYWTRGQ-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
N#Cc1cccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1	24966897	MVDDHPRFQPKGGS-UHFFFAOYSA-N	420.877	5.198	30	20	HKED	
CCOCc1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	45906399	FLVHYRDURPEZLL-UHFFFAOYSA-N	416.546	5.317	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3sccc3[C@@H]2CC)cc1	56756781	MOLQXIOKPXOVME-FQEVSTJZSA-N	409.555	5.104	30	20	HKED	
COc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2C#N)ccc1SC	58772314	ANYQYMSDTGZMMH-UHFFFAOYSA-N	402.519	5.228	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCC(c2cccc3ccccc23)CC1	58974123	DOBQBZMYHSSVFO-UHFFFAOYSA-N	415.562	5.274	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2c3ccccc3cc3ccccc23)ccc1OC	237023971	BCTMQHYNFSAYAE-QFIPXVFZSA-N	410.517	5.972	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccccc1Cl	303374096	KUGOXFOAEDKMPV-INIZCTEOSA-N	401.963	5.052	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1	303704512	OVTGNAHRZUSOOJ-AZUAARDMSA-N	408.571	5.071	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3c(F)cc(Br)cc3F)c2C#N)C1	325339089	XOBRVYRDLHKHJA-QMMMGPOBSA-N	411.271	5.038	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	429064556	KXIPYHAAUMMFJU-UHFFFAOYSA-N	408.477	5.070	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2csc(-c3c(F)cccc3F)n2)s1	430614721	ZZXZRYNVFKPQOS-SNVBAGLBSA-N	403.479	5.332	30	20	HKED	
N#CCCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1	431620462	KXMQLCHQFMPVDM-INIZCTEOSA-N	416.852	5.072	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1nc(-c2ccccc2)cs1	431939289	RAYMMEOGEIJNMT-PXNSSMCTSA-N	404.539	5.605	30	20	HKED	
Cc1noc(C)c1-c1ccc(OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	432313672	LFDIJYUGPUODET-HNNXBMFYSA-N	421.522	5.370	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F	433119328	UUHBGPWEBXQWBG-WBVHZDCISA-N	421.488	5.796	30	20	HKED	
C=CCn1c(S[C@H](Cc2ccc(F)cc2F)C(C)=O)nnc1-c1ccccc1C	436186579	QARQVYCQGREUQM-HXUWFJFHSA-N	413.493	5.010	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](COCc2ccccc2)C1	438048095	IMVNBZNUUABGCZ-QUCCMNQESA-N	409.555	5.151	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(C#N)cc1	440047918	GTFUKFIVDNLPBA-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
CCc1cccc2c(C3CCN(Cc4nnc(-c5cccc(C#N)c5)o4)CC3)c[nH]c12	441216199	CPKIOCJCBPVMJG-UHFFFAOYSA-N	411.509	5.032	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)CC1	441646985	AUSFBIOVWPLJHN-UHFFFAOYSA-N	423.357	5.098	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)nc2ccccc21	443510598	NHXVWUSJIRZHMP-OAHLLOKOSA-N	413.447	5.287	30	20	HKED	
Fc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1C(F)(F)F	446848372	HDVPVZAXNXNEOX-UHFFFAOYSA-N	421.356	5.659	30	20	HKED	
N#C[C@@H]1N(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCC[C@@]12CCCCO2	448273796	TXKGDFCBBQPTOU-UPVQGACJSA-N	423.944	5.020	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	463578417	VAVBTBRATVSIPU-UHFFFAOYSA-N	407.267	5.674	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccccc1OC(F)(F)F	465256713	QGYXDPJMKNZIOL-AWEZNQCLSA-N	423.460	5.201	30	20	HKED	
COc1cccc([C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2Cl)c1	466035663	GWMWPPRJCNWAET-HSZRJFAPSA-N	419.912	5.151	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC[C@H](Cc4csc5ccccc45)C3)o2)c1	466957070	XLCZBZXLJSFBSJ-GOSISDBHSA-N	414.534	5.278	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1COc2ccc(F)cc21	467148565	BPXZOTVREBAGRE-OAQYLSRUSA-N	403.413	5.053	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	468425095	CYMNROHMRRQXMZ-UHFFFAOYSA-N	419.300	5.336	30	20	HKED	
CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	470082866	NOQVWWNKRPTFNH-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)coc12	473512874	JDLWRJVOJUFVLL-CYBMUJFWSA-N	403.301	5.574	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1)c1ccc(F)c(F)c1	474650927	MLKOBDWKPPWQJV-HSZRJFAPSA-N	424.495	5.287	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](c1cccc(C)c1)c1ccccn1)c1ccc(F)c(F)c1	477735223	BGTCIFFZXABYBK-DHIUTWEWSA-N	407.464	5.374	30	20	HKED	
CC(C)Oc1ccc(NC(=O)CCOCC(F)(F)C(F)(F)F)c(C(F)(F)F)c1	480157744	GRUAFYYTFNHAHR-UHFFFAOYSA-N	423.300	5.035	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1	480391148	UYXRKCFZEBQJAB-NRFANRHFSA-N	413.468	5.030	30	20	HKED	
C[C@H](Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	481387658	OFBUEFDCJXETFT-AWEZNQCLSA-N	418.913	5.103	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[C@H]1C(F)(F)F	482041879	MZIMJPKCHDGQKX-HXUWFJFHSA-N	416.443	5.188	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c12	483219934	MVIDUGAEKVNURZ-HXUWFJFHSA-N	423.520	5.410	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)nn1-c1ccc(Cl)c(Cl)c1	483222734	COZDHTWRHZQNQF-QGZVFWFLSA-N	421.287	5.526	30	20	HKED	
C=C(C)[C@H](NC(=O)N(CCc1ccccc1)Cc1ccncc1)c1ccc(F)c(F)c1	483303940	IAXCKMNYOMBTTB-DEOSSOPVSA-N	421.491	5.432	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N(CCC(F)(F)F)CC(F)(F)F	484260363	QZDSDJZVGZPURH-NWDGAFQWSA-N	423.275	5.032	30	20	HKED	
N#Cc1ccc(/C=C(/CC(=O)O)c2nc3cc(Br)ccc3s2)s1	484449815	XOQLXCGPUDBHMJ-UITAMQMPSA-N	405.298	5.007	30	20	HKED	
CC(C)(C#N)c1ccccc1CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1	486437893	UIMSCEPRGCSELE-UHFFFAOYSA-N	401.485	5.420	30	20	HKED	
C[C@@H](NCc1nc(Cc2cccc(F)c2)no1)c1ccc(-c2cccc(C#N)c2)cc1	488246323	CZLRAXMXMRMNLG-QGZVFWFLSA-N	412.468	5.189	30	20	HKED	
C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1cccs1	489447230	PKBZHZBWHDDRFA-UHFFFAOYSA-N	424.595	5.111	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(Cl)cc3)o2)cc1	489784374	XNLVHSULAMYSDB-ZDUSSCGKSA-N	400.887	5.318	30	20	HKED	
N#Cc1cc(NC(=O)CCCc2nnc(-c3ccccc3)o2)ccc1Oc1ccccc1	490491186	JLWAEFYGMQCDNN-UHFFFAOYSA-N	424.460	5.362	30	20	HKED	
COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	494058054	DYVNXMGNYBFPMT-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)cs1	494512568	KHULAMJQRMMTOJ-CYBMUJFWSA-N	418.360	5.267	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	501769262	YDENQKOJSVYISU-CABCVRRESA-N	422.260	5.472	30	20	HKED	
CCC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	503677594	VBHUBFGHROWJIP-QGZVFWFLSA-N	423.582	5.023	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1	504106479	ACRYSXYGDCAOMO-BJKOFHAPSA-N	402.542	5.261	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cccc3cccnc23)cc1	505613877	VBPVZBYVULOSKJ-UHFFFAOYSA-N	421.500	5.062	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2COc3ccccc3C2)cc1Cl	505724811	FXZYVFZVGDJGQS-PZJWPPBQSA-N	417.896	5.121	30	20	HKED	
COc1cc([C@H](C)NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1OC1CCCC1	506358117	UGRFIUGMXPVHIT-INIZCTEOSA-N	424.516	5.182	30	20	HKED	
N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1nc2ccccc2o1	509551804	ARIXIXDMILRYKO-KRWDZBQOSA-N	424.485	5.291	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC)c2ccc(Cl)s2)cc1	512544208	KSVKCSMJOZBRHC-KRWDZBQOSA-N	417.962	5.489	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	514575982	UYISLORMAQQTHM-IIBYNOLFSA-N	415.880	5.273	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c(C)c1	515774359	UCRAZKVIEUYCFP-OAHLLOKOSA-N	405.420	5.341	30	20	HKED	
CCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	516269869	BIUSPYLHBLEPML-NRFANRHFSA-N	415.518	5.741	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(s3)CC[C@H](C)C4)n2)cc1	516269988	IKCFWLLTTYKTQK-GUYCJALGSA-N	408.548	5.495	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1	518151769	XCMIWNAEZZCIKW-HNNXBMFYSA-N	423.563	5.535	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2[nH]1	520076519	QIWCVIFVIXJLJQ-LBPRGKRZSA-N	413.289	5.483	30	20	HKED	
CCc1nc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2o1	520372768	LCGSXVAXHWNOIH-UHFFFAOYSA-N	413.502	5.806	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1	520856524	IRKNXHAQVDHVIC-ZIAGYGMSSA-N	405.470	5.422	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	521222488	BLAOLVREEBCVIG-GOSISDBHSA-N	415.493	5.223	30	20	HKED	
C=CCN(C(=O)c1ccc(N2CCCC2)c(F)c1)c1nc(-c2ccccc2)cs1	521665177	BUVRTWOMICKLGU-UHFFFAOYSA-N	407.514	5.382	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(OC[C@H]2CCCO2)c1	521839997	UDERWHLKAXNQRR-JOCHJYFZSA-N	421.541	5.115	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)c1	524119847	LWLXIHDARPAYPG-UHFFFAOYSA-N	411.383	5.800	30	20	HKED	
C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)c1nnc(-c2cccc(Cl)c2)o1	525641777	AFWXKCBEGJKTRH-HNNXBMFYSA-N	401.853	6.069	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1-c1ccccc1	530693974	GWPZKQRTBVUAIW-HNNXBMFYSA-N	403.507	5.409	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c(F)c1	531025072	SRFGMFJTIDDDBW-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)OCC	534418014	FRDLYRXPOVHWMY-LJQANCHMSA-N	420.431	5.268	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccn1	534691972	PKTLOBJPSRDCBS-CQSZACIVSA-N	421.913	5.144	30	20	HKED	
Cc1ccc(Br)c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1	535606252	NCFWWRFYUFHMCM-UHFFFAOYSA-N	400.320	5.319	30	20	HKED	
C=C[C@@H](CC(=O)N(CC)[C@H](c1cccnc1)c1ccc(F)cc1F)c1ccccc1	536244297	OLXQTVXEUXVXHK-AVRWGWEMSA-N	406.476	5.658	30	20	HKED	
N#CCCn1ccc(NC(=O)c2cc(Cl)ccc2Sc2ccc(Cl)cc2)n1	538192200	VEDAXEUMRJNNOU-UHFFFAOYSA-N	417.321	5.507	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cnn(CCC(F)(F)F)c3)c2C#N)C1	541268884	VVXJWVFQLZOKGI-CYBMUJFWSA-N	424.492	5.172	30	20	HKED	
CC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2cccc(Cl)c2O1	543193441	AVSJGUJVURJXDM-QGZVFWFLSA-N	419.868	5.217	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@](C)(C#N)C2CCCCC2)c1	550748339	QUTYIUJDWAHXHL-JOCHJYFZSA-N	403.954	5.307	30	20	HKED	
C=CCOc1c(Br)cc(CN2CC(C)(C)[C@H]2c2ccncc2)cc1OC	552279385	DVWKKUMOQWGNRU-HXUWFJFHSA-N	417.347	5.001	30	20	HKED	
N#Cc1cc(NC(=O)N[C@H]2C[C@@H]2C(F)F)ccc1Oc1ccc(C(F)(F)F)cc1	554259925	GIUVAFIVKPNDIQ-GJZGRUSLSA-N	411.330	5.144	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1	554837019	KPQBURKVRNIPFE-FPOVZHCZSA-N	420.900	5.003	30	20	HKED	
N#Cc1ccc(CN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C2CC2)cc1	556167037	WHEHMAHVFVNEHD-UHFFFAOYSA-N	417.459	5.300	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)CC2)c1	556950364	VSIUPOGDIBWXLG-UHFFFAOYSA-N	416.418	5.154	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(C(F)(F)F)cc1	562052270	UWWIKEPMMUTFSH-GJZGRUSLSA-N	421.488	5.246	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H](Cc3ccccc3Cl)C3CC3)ccc21	564670940	DDMRLAKJBCIIIP-JOCHJYFZSA-N	407.945	5.356	30	20	HKED	
CC[C@@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1	569432866	LQOMFUZQTIEECC-DHIUTWEWSA-N	420.354	5.740	30	20	HKED	
C=CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2	573349143	DXKRSSVALGMTCH-ZZEZOPTASA-N	423.516	5.272	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C(F)(F)F)cc1	576032394	JTOLMFSTEFDIDA-KGLIPLIRSA-N	407.461	5.840	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	580766782	QQSDQMGHJFYNOW-CYBMUJFWSA-N	406.507	5.183	30	20	HKED	
C=CCOc1ccc(C(=O)N(CCC)[C@H](c2ccc(F)cc2)c2cccnc2)cc1	599353755	JWYFCPWOMHQOIX-XMMPIXPASA-N	404.485	5.427	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccccc2)nc1O	603738835	CJRWRXABFVIWDH-UHFFFAOYSA-N	422.444	5.074	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCNC2CCCCC2)cc1Cl	603745884	XDCJNQZTPCIWIA-QFIPXVFZSA-N	424.976	5.429	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c3ncccc23)o1	603953178	CDNCGRSOQVVCLZ-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
CCSCc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	604228445	WRLZPNFUCWGELN-HNNXBMFYSA-N	420.481	6.058	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2scnc2-c2ccccc2)o1	609059316	GJBXGELHHLPOCQ-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
CCOCCOc1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609176544	PUFQSNSLICQZNG-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nnc(-c2ccccc2)o1	609387111	MJMGSVFIERWCEO-ZDUSSCGKSA-N	418.444	5.934	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCSC[C@@H]3c3ccccc3)c2)cc1	609683046	WVKXBYLYOYRSFK-HSZRJFAPSA-N	415.518	5.673	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	609683689	HBKLGKXHWRDEOT-GDLZYMKVSA-N	404.535	5.215	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609736319	DGNJBUNJJOYJPL-UHFFFAOYSA-N	405.841	5.153	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	611553978	ZVVXBCBWCXWJJY-CQSZACIVSA-N	415.471	5.336	30	20	HKED	
CCCN(Cc1ccc(C(C)(C)C#N)cc1)Cc1nnc(-c2ccccc2Cl)o1	614175457	QAGDQFCUPDTYAI-UHFFFAOYSA-N	408.933	5.603	30	20	HKED	
C=CCN(C(=O)CCCOc1ccc(C(C)=O)cc1)c1nc(-c2ccccc2)cs1	641902409	ZVMXJEXZRGZHPK-UHFFFAOYSA-N	420.534	5.391	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](c2ccccc2)C1	669807194	IBJPXBIKZPJCRF-DYESRHJHSA-N	424.545	5.038	30	20	HKED	
N#C[C@@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nccc2ccccc12	682993916	CNQCKLJQCXQNDZ-OAQYLSRUSA-N	406.489	5.315	30	20	HKED	
O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	683156172	DYCVXEGUQBBSQL-BQBZGAKWSA-N	413.120	5.337	30	20	HKED	
O=C(Nc1cc(Cl)c(Cl)cc1F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	685018336	BQGSCDSMDRDXTD-OLQVQODUSA-N	413.120	5.337	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc3nc(N4CCCC4)sc3c2)cc1Cl	726451492	NRAXJSIVTOPYHJ-UHFFFAOYSA-N	413.959	5.230	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2ccc(COCc3ccccc3)cc2)cc1Cl	726460394	HEKONSHPYLYGIT-UHFFFAOYSA-N	421.953	5.415	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cc(OCC)c(OCC)cc2Br)c1	726475033	LLAWAMVNOLKNGM-UHFFFAOYSA-N	419.344	5.037	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNc1ccc(OCC(F)(F)F)cc1	727261542	CNQKYAIAGMVPAG-UHFFFAOYSA-N	406.383	5.015	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)Nc3cccc(OCC#N)c3)cc2)c1	727933626	BWPYKCXKSWUARB-LJQANCHMSA-N	415.493	5.359	30	20	HKED	
Cc1cccc(C)c1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728053215	UZKJZMGCIDSVMY-UHFFFAOYSA-N	419.912	5.458	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)cc1	728830528	LVEWYZMQONEUPZ-UHFFFAOYSA-N	424.591	5.111	30	20	HKED	
CC(C)(C)c1nc(C#N)c(NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)o1	731153479	NXAJIGYRMVSIHC-UHFFFAOYSA-N	424.936	5.562	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1	731332751	RCNRESMABIGCNQ-NKSUMMKUSA-N	407.926	5.934	30	20	HKED	
CCCCOc1ccc(C=NOCc2noc(-c3ccc(Cl)cc3)n2)cc1OC	731445576	KVHPVFDDPSVVKK-UHFFFAOYSA-N	415.877	5.128	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	733631932	QQXLUMCOPILSBB-UHFFFAOYSA-N	416.437	5.563	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(Br)c1	734082950	JPGYHEUCQOHZNI-DWTRPJMMSA-N	424.323	5.166	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(C)c2C)cs1	734305340	RBTBHLKKTYEYSO-FMIVXFBMSA-N	410.926	5.994	30	20	HKED	
C=CC[C@@H](NC(=O)N(CCC)[C@@H](C)c1ccccc1Br)c1ccncc1	734683052	LRIDASNCCPLTRN-OXJNMPFZSA-N	416.363	5.644	30	20	HKED	
CC(C)(C(=O)OCc1cc(Cl)ccc1OCC#N)c1ccc(Br)cc1	735345579	XGPRRIYLCCGRKK-UHFFFAOYSA-N	422.706	5.026	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCN3c4ccccc4Sc4ccccc43)[nH]c12	735791876	CZMWRYNNVGUGKY-KRWDZBQOSA-N	424.529	5.741	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1	736465945	UPNQVLODHGYSEZ-QHCPKHFHSA-N	406.445	5.177	30	20	HKED	
CCC(CC)(C(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1	742193251	FBQDZXWCOMBBPA-UHFFFAOYSA-N	409.961	5.055	30	20	HKED	
CCc1ccc([C@H](COC)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	743093359	SIOGJUNBWPNGQJ-VXKWHMMOSA-N	403.482	5.007	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3csc(C)n3)c2)cc1	744027614	AAPMACFVFSKTSL-OAQYLSRUSA-N	417.534	5.422	30	20	HKED	
N#Cc1ccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)nc1Cl	752973891	HUKFJVFLMXKMOK-UHFFFAOYSA-N	418.909	5.106	30	20	HKED	
C#CC[C@@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccccc1	757772881	SKMNDAJTFUWQNY-LJQANCHMSA-N	407.901	5.135	30	20	HKED	
CCOc1ccccc1C=NO[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760422252	ZIFPQPKBFTYENC-GFCCVEGCSA-N	406.269	5.554	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc(C)ccc2F)cs1)c1ccc(F)cc1F	763292099	INVRWUDMXFYXAE-YVMONPNESA-N	416.424	5.450	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1ccc2ccccc2n1	766238503	UIZDFAXQYDOVJY-XJKSGUPXSA-N	411.274	5.191	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)nc1C(F)(F)F)c1cccc(Cl)c1Cl	766857920	PEDRDPPSPFYHJC-JTQLQIEISA-N	408.594	5.055	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c2ccccc21	769543534	HVISLLYFULYYNT-UHFFFAOYSA-N	403.413	5.096	30	20	HKED	
N#Cc1cccc([C@@H]2CN(Cc3ccc(-c4nc5ccccc5s4)o3)CCO2)c1	770384694	MKWRMNJHTRRWOA-NRFANRHFSA-N	401.491	5.001	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CC3(CCCCC3)Oc3ccccc32)ccc1OC	772978329	FHPLOVHVNBPIDJ-RBBKRZOGSA-N	420.553	5.692	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Br)c(F)c2)ccc1OC	772987399	UCNQQFZLWGWZGC-BBRMVZONSA-N	421.310	5.129	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	775487147	ILXFBHUHEDONOA-OAQYLSRUSA-N	421.953	6.277	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nccc2ccccc12	792093440	IRJBVYSYBOKKBZ-ACJLOTCBSA-N	411.324	5.354	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C3CC3)cnc2Cl)cc1	793329635	QETHUPOEFQDVPJ-UHFFFAOYSA-N	419.868	5.537	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C	798446727	ATBUKOULMVQFFV-AWEZNQCLSA-N	412.415	5.122	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(SCc2csc(C)n2)cc1	803523006	JLVMDXUBIAYUDB-HXUWFJFHSA-N	406.576	5.108	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	806182757	BIQAVBSUORVRSQ-OAQYLSRUSA-N	412.493	5.087	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](O)c1ccccc1	808818276	VCVKMFPEUCDFHH-JFJYTDJESA-N	419.912	5.239	30	20	HKED	
C#CCN(C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C1CCCC1	810198101	HWSLUQGUTZIJKL-UHFFFAOYSA-N	420.900	5.485	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)cc2)ccn1	810285028	ZJGFDYUWOJUOEE-QFIPXVFZSA-N	420.419	5.393	30	20	HKED	
COc1cc(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)ccc1OC(F)F	913617923	ZXUDOZHUTRYARM-XQRVVYSFSA-N	421.831	5.172	30	20	HKED	
CSc1ccc([C@H](C/N=C/c2cccc(O)c2O)N2CCc3sccc3C2)cc1	915980185	YMTPSBGYIQWUIF-AFEQLLIESA-N	424.591	5.100	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc2c(c1)-c1ccccc1C2	916938419	KMNSZHKEYVZVTP-IBGZPJMESA-N	404.828	5.011	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(C)o3)n2)cc1	916947980	DHJZIVZWYSDHJF-CXAGYDPISA-N	407.495	5.186	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1ccccc1-c1ccccc1	917878696	AIMBHDSQOJLNAJ-QHCPKHFHSA-N	402.494	5.012	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1	920805557	DJDNGWWEZPOZCF-QGZVFWFLSA-N	404.441	5.660	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccccc2C(F)(F)F)c(Br)cc1O	921261573	RGTNNVRDPFLZMW-VOTSOKGWSA-N	401.178	5.078	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CCC2)cc1	1787887686	RCIWTUFLFDLBNV-STZQEDGTSA-N	407.558	5.031	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1	1789451666	QNUZZTVAKPYZAT-SFHVURJKSA-N	408.464	5.231	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C)c2)n[nH]1	1820533791	LMFQMSWBJNPQQA-FQEVSTJZSA-N	408.546	5.016	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccccc2F)cc1	11170341	MZKUMJDLKDGOOL-UHFFFAOYSA-O	421.561	5.652	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)s1	27123392	WTGHNCWZYVNIKQ-SNAWJCMRSA-N	420.309	5.228	30	20	HKED	
C=CCNc1nnc(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)s1	32321084	XBYFFYDNICVHHW-ZDUSSCGKSA-N	417.387	5.198	30	20	HKED	
Cc1cc(C)cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1	45972394	FQEGIWQTMLPMAU-UHFFFAOYSA-N	415.518	5.158	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(Br)c1	49723770	ZUZGBQFFGIUFBK-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(OC(F)F)c2)cc1	65369673	ZXHYTOFEAXFRGB-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC	72025345	SMGODGIPOQACLP-UHFFFAOYSA-N	414.461	5.485	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)o1	108055813	KFROPYDHALTQHK-UHFFFAOYSA-N	416.433	5.024	30	20	HKED	
CC(=O)c1ccc(C#N)c(N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c1	302096632	JLAISGWPPFNIIJ-UHFFFAOYSA-N	424.504	5.276	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2Nc1snc(Cl)c1C#N	302427178	KDDPMLJVJLJRFC-HNNXBMFYSA-N	404.923	5.505	30	20	HKED	
N#Cc1nc(N[C@H](Cc2ccccn2)c2ccc(Br)cc2)ccc1Cl	302679552	OJNKEAFHPBXARG-QGZVFWFLSA-N	413.706	5.160	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2c1ccc1ccccc12	303297373	NVFPANYIQMPFSO-HNNXBMFYSA-N	400.503	6.399	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OC)c(Br)c1	314471364	NINPITSWYKIGHM-UHFFFAOYSA-N	400.725	5.001	30	20	HKED	
C=CCN(C(=O)c1csc(Br)c1)c1nc(-c2ccccc2)cs1	321993609	PCJMRTHZJXOFHM-UHFFFAOYSA-N	405.342	5.467	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1ccc(C(F)(F)F)cc1	429353754	AVIBPPQNSBUVOQ-CJNGLKHVSA-N	424.467	5.454	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN(CCc2ccccn2)Cc2cccnc2)cc1	430338904	AMDBMSLUARSYFH-UHFFFAOYSA-N	404.517	5.260	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)s1	430595761	IETNTFXXGGVYFK-ZDUSSCGKSA-N	418.444	5.135	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1	431814320	WPQYPQDVQZXKGF-QFIPXVFZSA-N	418.472	5.247	30	20	HKED	
CC1(C)CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCS1	433260826	LXKDYFDJOFJVSQ-UHFFFAOYSA-N	409.555	5.081	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)c2)cc1	434141777	MWMYYNOJIFDWMY-SFHVURJKSA-N	417.431	5.138	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nccc2ccccc12	434644939	IJLDKSOFNZYZRN-GOSISDBHSA-N	401.372	5.190	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OC(C)C)c(C#N)c1)c1nc(C(F)(F)F)cs1	435555560	YPAPISUDRGCSNH-ZDUSSCGKSA-N	412.437	5.094	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C2CCC(C(F)(F)F)CC2)cc1	435555900	JIWDVXQJENIOCD-UHFFFAOYSA-N	416.443	5.639	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1sc(-c2ccccc2Br)nc1C	436296735	KUISAIVKGHCMJQ-SIIHOXLZSA-N	421.404	5.513	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCc3c(O)cccc32)cc1F	438661026	MJIZBEIQVFXJAU-IBGZPJMESA-N	403.413	5.004	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1nc2ccccc2[nH]1	442613052	AFCVAWHTTFIGHE-ZDUSSCGKSA-N	423.259	5.547	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1	461706355	UBAFNLLVGSWJDX-UHFFFAOYSA-N	404.539	5.302	30	20	HKED	
C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1cccc(C#N)c1	462415392	OBVIOJKUPRQUNK-XYJBZRSYSA-N	421.972	5.045	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](CSc4ccccc4)C3)c2)cc1	464326183	DRYFTEZHTBABNS-FQEVSTJZSA-N	414.530	5.605	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1	470482406	NLOAWUTWSUHNFW-QGZVFWFLSA-N	415.459	5.468	30	20	HKED	
Cc1cc(CCNC(=O)c2ccccc2Sc2ccccc2C#N)cc(C)c1O	470887248	BQNZFBWFQYDNDN-UHFFFAOYSA-N	402.519	5.004	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccn2)cc1	471275859	DIRBBQHSVZWLBB-WZONZLPQSA-N	416.550	5.695	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccc(C(F)(F)F)cn1	475041581	ZKUVIPWHSVHKQV-CYBMUJFWSA-N	424.300	5.869	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	476522507	BTOJATZDWBDNMC-GOSISDBHSA-N	416.352	5.120	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nc(-c2cccc(C)c2)no1	476788199	AKRGCSBGXQCKDJ-UHFFFAOYSA-N	407.539	5.628	30	20	HKED	
CC1(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[C@@H]1C(F)(F)F	479551869	MXSDKRKMWWOJKZ-INIZCTEOSA-N	422.476	5.048	30	20	HKED	
C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(OC(F)(F)F)cc1	479799507	AXVAGTQSCXDXQS-HNNXBMFYSA-N	415.415	5.017	30	20	HKED	
Cc1ccc2[nH]c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c(C)c2c1	480507190	WDKQMHAGDSQNER-UHFFFAOYSA-N	409.489	5.682	30	20	HKED	
N#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c(Br)c1	481301552	PNHGATJUHSWHIM-MRXNPFEDSA-N	401.201	5.243	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	484251006	GCTQVBZJGMZVTN-JGKCQHDJSA-N	424.429	5.117	30	20	HKED	
Cc1c([C@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2ccccc12	485004067	UTRLVFPUSVNDPW-RDJZCZTQSA-N	407.539	5.282	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1nc(-c2cc(F)c(F)c(F)c2)no1	486551195	RRTZOLCWAUTWFG-LLVKDONJSA-N	404.417	5.160	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC)c1ccccc1	488723636	XBSBWWYTZHTMRT-JOCHJYFZSA-N	420.553	5.400	30	20	HKED	
Cc1ccc(-c2nnc(SCc3cc(F)ccc3C#N)n2Cc2ccco2)cc1	489456119	OFAAIJLRHXYULK-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	490210740	QCJMOTKXQYKFPC-UHFFFAOYSA-N	411.505	5.223	30	20	HKED	
C[C@@H](C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1c(F)cccc1F	493381982	CFYCCDYMQSXDIF-PSLIRLAXSA-N	409.301	5.090	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1	505439086	UZZSAVHMHKTNOY-JTQLQIEISA-N	423.366	5.353	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C1CC1	507392699	QHUSDSVKIYZGBL-UHFFFAOYSA-N	400.482	5.333	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc(F)cc1)C(C)C	509222743	DBOSVRBUGVPZIV-UHFFFAOYSA-N	417.484	6.241	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	509668647	XOQLICBCGSZIJW-CQSZACIVSA-N	410.930	5.484	30	20	HKED	
CN(C)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	510010382	PNLPOTOWPWROAX-TZIWHRDSSA-N	422.916	5.013	30	20	HKED	
Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	511454924	DZIJBAGSYYFTQL-XMMPIXPASA-N	424.504	5.488	30	20	HKED	
Cc1ccc2oc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2n1	511552212	GLULBOGBXMOAIT-GOSISDBHSA-N	401.853	5.697	30	20	HKED	
N#C[C@@H](C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)c1ccccn1	511886330	SXVYAXVUVDHVPN-GOSISDBHSA-N	415.880	5.259	30	20	HKED	
Cc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	514174042	JELDKTYKMGHOKU-FPOVZHCZSA-N	407.583	5.035	30	20	HKED	
CSc1ccc(-c2nsc(NC(=O)N[C@H](CCC#N)c3ccccc3)n2)cc1	516216647	MEAZTIGGGDNEJW-QGZVFWFLSA-N	409.540	5.094	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](c2ccc(Br)cc2)C2CCC2)c1	520950279	NCBVYTCXWNNHCJ-QFIPXVFZSA-N	413.359	5.763	30	20	HKED	
CCc1ccc([C@@H](NC(=O)CSc2ccc(C#N)cc2F)c2cccs2)cc1	525629243	ZAHWXUQLCNREGT-JOCHJYFZSA-N	410.539	5.319	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)C1CCCC1	533062298	FSVBETNYMOGILE-KOSHJBKYSA-N	407.583	5.398	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)c1ccccc1	534641708	JBFCQKLDQKVCSI-SFTDATJTSA-N	416.468	5.078	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1F	536281474	PIORDKAGDJWEHI-UHFFFAOYSA-N	408.404	5.066	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)c1ccccc1	538325136	QPZXMSYKLURLPY-PGRDOPGGSA-N	409.599	5.223	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(Br)c(F)c1	540417339	LFRZSGSIQUNPIR-WMLDXEAASA-N	420.257	5.031	30	20	HKED	
CC(C)[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C(F)(F)F)cc1	540424918	HWYIRNHLYKJYOY-IBGZPJMESA-N	400.404	5.114	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1	543827408	FATNWKATQLJMRZ-LJQANCHMSA-N	417.431	5.112	30	20	HKED	
N#CCc1ccnc(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	545219814	TVOJOONKZWWWHH-UHFFFAOYSA-N	411.292	5.319	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc2c(s1)CSCC2	552967369	OMTXRYYWAGCZNE-UHFFFAOYSA-N	409.561	5.208	30	20	HKED	
C=CCn1c(SCc2cc(F)c(C(F)(F)F)cc2F)nnc1-c1cccnc1	557755984	GKILYZDEHWCOPG-UHFFFAOYSA-N	412.387	5.115	30	20	HKED	
C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1	558086414	YBYLAMQZDIGZKB-CQSZACIVSA-N	413.449	5.047	30	20	HKED	
N#Cc1ccc(CN(CCC(=O)Nc2ccccc2Oc2ccccc2)C2CC2)cc1	565381239	UVJBBKFMRLXEDU-UHFFFAOYSA-N	411.505	5.344	30	20	HKED	
CC(=O)c1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1C	568471666	UILNBAKPBVKJFW-UHFFFAOYSA-N	400.453	5.051	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCSC4(CCCCC4)C3)cc2)ccn1	571212657	PLMKWULJTPSUSL-UHFFFAOYSA-N	408.527	5.029	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)n1	572687037	LKUYQPWLYANXCS-OAHLLOKOSA-N	408.552	5.842	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccccc2SCCC#N)cc1F	573522018	VLXBDGWGBARNSS-UHFFFAOYSA-N	408.473	6.198	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@@H]1c1csc(C)n1	573590089	AEULVGWZNTVNCG-QGZVFWFLSA-N	420.369	5.544	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	577244501	VQYGKIAUCVPPSL-LAUBAEHRSA-N	411.571	5.111	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	583100718	VTODCDRRNLJTIZ-VGSWGCGISA-N	423.582	5.037	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Oc2cccnc2)cc1	583107764	HETKKFHPJLYJTC-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	588780583	FRTSHRCURXFJBD-NPMXOYFQSA-N	418.493	5.242	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CCCCCc3ccc(O)cc3)cc2)ccn1	589541842	KXWILHUODIKLJL-UHFFFAOYSA-N	401.466	5.193	30	20	HKED	
CCOc1ccc(OCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	603533253	XJWQMZTWXVXWJD-UHFFFAOYSA-N	418.468	5.017	30	20	HKED	
N#CCc1ccc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cc1	603751041	KWANQYXMDNVBMU-NRFANRHFSA-N	421.294	5.274	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)s1	604028892	YHZKIYBIXCHOQF-UHFFFAOYSA-N	417.943	5.432	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)c2)c1	604181972	MGIJIAORBAJSDG-UHFFFAOYSA-N	414.852	5.198	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)cc1	604940016	DZLOCSIHBASQAR-UHFFFAOYSA-N	406.432	5.108	30	20	HKED	
CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1	607455192	LWGXWTXGLBHDDM-UHFFFAOYSA-N	416.546	5.063	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@@H]1c1cc(F)ccc1F	607464180	PRAPHGBJPLOUNB-IEHMLVOSSA-N	415.324	5.094	30	20	HKED	
CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc(C#N)c(Cl)c1	608784622	XETBUUOWAYCPCW-UHFFFAOYSA-N	412.852	5.102	30	20	HKED	
Cc1nc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc12	608820379	ASSHKTTWBQNKCR-UHFFFAOYSA-N	424.529	5.032	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2c1	609061573	PUVRWHSNMOXWEA-UHFFFAOYSA-N	421.500	5.863	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3N3CCCCCC3)CC2)c1	609205577	GMNFEJGFWRLZBG-UHFFFAOYSA-N	418.541	5.014	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2)c1	609427354	GQJQEDUWMNGFBW-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1	609496418	UWELJMUNHYYASL-UHFFFAOYSA-N	413.502	5.609	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)CC1CCOCC1	609555929	LYOLLRHKJNCLAA-LJQANCHMSA-N	423.582	5.542	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCSc4ccc(F)cc43)c2)cc1	609641339	QOCHVSFBMKYORW-QFIPXVFZSA-N	418.493	5.243	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCS[C@H](c4ccccc4)C3)cc2)cc1	609791291	FOHJFDGEWAZPDJ-DEOSSOPVSA-N	414.530	5.475	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCS[C@H](c4ccccc4)C3)c2)c1	609791405	JCZPQYMDHVKZHF-DEOSSOPVSA-N	414.530	5.068	30	20	HKED	
CC(C)c1cnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1C(C)C	610034366	CWCXJULJMQGRNZ-INIZCTEOSA-N	416.616	5.712	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2c(Cl)cccc2C1	610094735	XCEOQZOWTNZIRK-UHFFFAOYSA-N	417.896	5.903	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cccc(C#N)c1	610325214	KTBDQFRYBXNPIY-OAHLLOKOSA-N	406.873	5.068	30	20	HKED	
Cc1ccc(CN(C(=O)N[C@@H](C)c2cccc(C#N)c2)[C@@H]2CCc3ccccc32)cc1	610406896	MIYIECGKWWSQOZ-RXFWQSSRSA-N	409.533	5.827	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(Cl)c1	611092856	KBEGECBLLCTKDI-UHFFFAOYSA-N	403.265	5.549	30	20	HKED	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	620696897	WDXZQWBMUGGWEG-IUCAKERBSA-N	411.239	5.047	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1cc(C(F)(F)F)ccn1	643778777	NKVJMPIEBZTPIP-LBPRGKRZSA-N	407.804	5.367	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	673812131	RLNADFRLWRFTHA-MRVPVSSYSA-N	401.316	5.039	30	20	HKED	
CCOc1cc(C=Nn2cnc3ccccc32)ccc1OCCOc1ccc(C)cc1	725848708	DPUAEOWTQFPPOD-UHFFFAOYSA-N	415.493	5.083	30	20	HKED	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1	726626359	DZQYVOJDBAGUIF-MFOYZWKCSA-N	400.912	5.016	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C\C3=Cc4cc(Cl)cc(Cl)c4OC3)ccc2N1	726743398	GEDJBTKIMSGVFS-KTAJNNJTSA-N	400.261	5.093	30	20	HKED	
CC(=O)N(c1nc(/C=C2/CCc3sccc3C2=O)cs1)c1ccc(F)cc1F	726894209	WHYPQAMKGHSEJU-WQLSENKSSA-N	416.474	5.380	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cc1	726915090	NKDNWGKXEJOELD-DEOSSOPVSA-N	418.537	5.140	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ncc(-c3ccc(F)cc3)o2)cc1OC	727486999	UZXGNUJDBLVJJW-UHFFFAOYSA-N	404.825	5.092	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1	728695382	VLYZGXPSDJMUMW-REPPVQDKSA-N	409.335	5.076	30	20	HKED	
CC(C)c1ccc(CSc2nn(CN(CCC#N)CC3CC3)c(=S)s2)cc1	728904835	ZAIFTKGAHLJIAI-UHFFFAOYSA-N	418.657	5.673	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1	729163153	UUBKXQICVOWHAN-UHFFFAOYSA-N	407.539	5.165	30	20	HKED	
O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(C(F)(F)F)cc1	730949422	VXLNKDLPAXOZTG-KMKOMSMNSA-N	416.351	5.472	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)c1ccc2ccccc2n1	731768394	IEDFOYDQLSTACZ-KXXOPMGUSA-N	407.473	5.461	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)c1ccc(N2CCC(O)CC2)cc1	734235707	UJSPBMWLZWWNRR-LUAWRHEFSA-N	423.965	5.926	30	20	HKED	
CC(C)CNC(=O)c1cccc(CSCc2cc(Cl)ccc2OCC#N)c1	735318668	MPCJFCRWKYSRLV-UHFFFAOYSA-N	402.947	5.062	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)OC(=O)Cc3ccc(OCC#N)cc3)s2)cc1	739304524	UDYYMWOAWLGTTL-KRWDZBQOSA-N	406.507	5.176	30	20	HKED	
COc1ccccc1C/C(C)=C/C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739599622	NRIZUVQYWOEIEH-GHRIWEEISA-N	402.519	5.101	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1cccc(-c2nc(C)cs2)c1	740407737	RKMRADWNSQRQNB-UHFFFAOYSA-N	424.547	5.192	30	20	HKED	
CSc1cccc([C@H](Nc2snc(Cl)c2C#N)c2ccc(F)c(F)c2)c1	742423548	OQOPSGRIKBFCFU-INIZCTEOSA-N	407.898	5.870	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Br)c(F)c2)cc1	743447990	YYHIJSYEASKZPD-WBMJQRKESA-N	417.278	5.063	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(OC2CCCCC2)cc1	743476066	CNXJFIKMFBNZQM-LJQANCHMSA-N	421.541	5.154	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1OC	746055083	QUJUVKKORYLTCD-WQLSENKSSA-N	420.534	5.022	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc1Cl	752997486	CKIMHBKCZJPPBU-QGZVFWFLSA-N	407.260	5.168	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl	753321144	PWBXHDLVHDUODG-SFHVURJKSA-N	418.324	5.310	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1	755608978	CFHYNJSPCKWZFL-GUYCJALGSA-N	409.442	5.146	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756243711	MKRADXSZCUIKED-AUUYWEPGSA-N	421.522	5.426	30	20	HKED	
N#CCOc1cccc(CC(=O)OCc2cc(Cl)c(C(F)(F)F)c(Cl)c2)c1	764941624	DBUZIOBTGPMBGZ-UHFFFAOYSA-N	418.198	5.200	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1cccs1	768414523	KNQALNOPXGTJSC-UHFFFAOYSA-N	402.932	5.041	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2ccc(NCc3cccc(OCCCC#N)c3)cc2C1	770571857	UHYPCGPJTNTJML-UHFFFAOYSA-N	421.541	5.274	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	773799965	YQGHRNMUVKGZBT-YJBOKZPZSA-N	403.482	5.531	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S	774590976	WWAUBBIDWYMEIK-LJQANCHMSA-N	411.600	5.135	30	20	HKED	
COc1ccc(C2(C(=O)[C@H](C#N)c3nc4ccccc4s3)CCCC2)cc1OC	777294967	LBCFYCXRXLTPSK-INIZCTEOSA-N	406.507	5.002	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c1	777497814	FLYVXKVSYKAUOF-GOSISDBHSA-N	400.931	5.078	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1	780160612	DXJDTTROZUJPBX-MRXNPFEDSA-N	406.869	5.462	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)o1	781769483	WKZQYTMTXWPDKF-LBPRGKRZSA-N	419.289	5.585	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cccc(Cl)c2o1)c1nc(O)c2c3c(sc2n1)CCCC3	783067987	CMBLLVXALALPEQ-LBPRGKRZSA-N	423.881	5.165	30	20	HKED	
CCCCCCCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1	785626250	VHSDGFYVGGYJFS-QGZVFWFLSA-N	420.351	5.523	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C34CC(C(F)(F)F)(C3)C4)cc2Cl)c1	786881815	GXZHUPIRHLVZGE-UHFFFAOYSA-N	420.818	5.462	30	20	HKED	
CCc1sc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C	787047035	VNKJHIPFGVNKKT-FZMZJTMJSA-N	409.338	5.126	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2c(Cl)cccc2SC(C)C)ccc1OC	790056565	VCUUBIHAURXTPB-KRWDZBQOSA-N	418.990	5.820	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1	794701448	LKYBZGBIONVWTN-VHEJECIDSA-N	402.446	5.110	30	20	HKED	
CC(C)(C)c1ccc(N2CCC(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)cc1	795492165	CRYSNTPDVGKCFB-UHFFFAOYSA-N	421.560	5.058	30	20	HKED	
C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nc(Cc2ccc(Cl)cc2)no1	795991902	PKAQHBDPHJLDKW-CRAIPNDOSA-N	409.873	5.006	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)s1	797572117	YWRZSTLGKFZSCM-LSDHHAIUSA-N	424.595	5.143	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(C(F)(F)F)cc1	798817374	YFWVMYYSZITUMO-BXUZGUMPSA-N	407.342	5.430	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1	800577995	HTCGLBHTHWUWOQ-QHCPKHFHSA-N	406.551	5.634	30	20	HKED	
O=C(OCc1cncc(C(F)(F)F)c1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	802860716	IUOFUAMPFMREON-UHFFFAOYSA-N	407.285	5.033	30	20	HKED	
COc1cccc2c1[C@H](C(=O)[C@@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CC2	815925918	VZHBXAHRWCMWCA-ZIAGYGMSSA-N	410.445	5.003	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1	877769958	NXJCRTMKEBNAID-UHFFFAOYSA-N	405.548	5.557	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1cccc(C(C)C)c1	916906679	IUQGKLIJNPNHSA-JTSKRJEESA-N	406.526	5.050	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(=C)C(F)(F)F)CCC2)cc1	1789457850	CATUNMKQJIGSIU-SFHVURJKSA-N	406.448	5.007	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1	1829071318	SXCQWLKLOWBHTJ-QFIPXVFZSA-N	414.634	5.179	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1	6096769	PVPDXIXKFJXPDZ-ZDUSSCGKSA-N	416.909	5.043	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1cccnc1	8471859	KEOFEDHNLBUHKR-SJORKVTESA-N	421.570	5.159	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1	11309254	ABIYBFOCEVFGLO-LLVKDONJSA-N	423.325	5.150	30	20	HKED	
C=CCn1c(C)nnc1S[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21	23515330	HQLGKDVIDPTISL-AWEZNQCLSA-N	408.552	5.083	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1C1CC1	23517207	WAEKVGBUOLGHSF-INIZCTEOSA-N	420.538	5.253	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1	45404766	OEPNWGIIXFOVKN-UHFFFAOYSA-N	407.901	5.238	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Oc3cccnc3)n2)cc1	52367899	CMHJYRXXWOEUIB-FQEVSTJZSA-N	411.486	5.796	30	20	HKED	
N#Cc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1	60349783	LXZQQIWWHJPLRH-VMPITWQZSA-N	423.222	5.385	30	20	HKED	
N#Cc1c(NC(=O)CSCc2cc(-c3cccs3)on2)sc2c1CCCC2	61111590	JZKLKUHGHSOHCL-UHFFFAOYSA-N	415.565	5.087	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1SCCC#N)O[C@H](C)C2	97553824	BQGWIOUFHHYUSB-ZNFPLGDCSA-N	408.523	5.066	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	109487419	PKZYZMTVJMDDBT-UHFFFAOYSA-N	405.523	5.452	30	20	HKED	
CCCN(CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccccc1Br	110184500	SDJRRMYIWQVNMP-MRXNPFEDSA-N	414.347	5.123	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)o1	409473913	BVAIRKMCIYNACI-UHFFFAOYSA-N	412.445	5.166	30	20	HKED	
CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	429048190	MJMWCISZHQUHOB-GOTSBHOMSA-N	423.582	5.517	30	20	HKED	
N#CCSc1cccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c1	430986399	DAYYEQTXWYWCMX-UHFFFAOYSA-N	404.426	5.346	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@@H](CCCC#N)c1ccccc1	433018244	CWGAGBAMPIWIRG-DEOSSOPVSA-N	406.961	5.726	30	20	HKED	
COc1ccc(C#N)cc1CSc1nnc(-c2ccncc2)n1C1CCCCC1	435145743	GUZZARGLNJABMR-UHFFFAOYSA-N	405.527	5.018	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436019969	DHJXBZSXWFUYKN-GCZXYKMCSA-N	419.312	5.376	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCc1ccc2ccccc2c1	437417627	IEHNYEQDHWAJKV-SFHVURJKSA-N	420.603	6.148	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(O)nc3ccc(F)cc23)cc1F	437459546	NORQQKGFFRCPNP-UHFFFAOYSA-N	417.371	5.135	30	20	HKED	
C=C[C@H](CC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21)c1ccccc1	438636268	KGNYEQCCEQDZJI-DNVCBOLYSA-N	400.316	5.091	30	20	HKED	
N#CC1CCC(CNC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1	441031708	PRRJQWKEYHYLQO-ZOJXTTQQSA-N	422.342	5.059	30	20	HKED	
C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)c1	442513971	BZRGGMOUWZNVHB-IBGZPJMESA-N	414.505	5.077	30	20	HKED	
Cc1noc(C2CC2)c1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	444821065	ANAJONUGRRENSZ-GOSISDBHSA-N	406.873	5.813	30	20	HKED	
CCC[C@@]1(CO)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	444843244	AEOCZQIQSZOHNU-REWPJTCUSA-N	411.933	5.154	30	20	HKED	
COCCN(C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1)c1ccc(C#N)cc1	460349213	QSBKKTOZIMFERZ-UHFFFAOYSA-N	410.926	5.542	30	20	HKED	
CCCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	463963525	JDLMKTVJQYBHRK-DFBJGRDBSA-N	415.512	5.533	30	20	HKED	
COc1cccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)c1	466048927	KHWSZESVLMKRTB-JOCHJYFZSA-N	405.885	5.326	30	20	HKED	
COc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc12	469307631	ZFGBWXYVTJMSFM-SFHVURJKSA-N	413.521	5.604	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1	470685696	XTULJBLNTVAGOI-SFTDATJTSA-N	420.900	5.114	30	20	HKED	
Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	471721288	SNOXOPKYRBXKJK-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
COCCC1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCCC1	472781444	CERBAMPSGAXALW-UHFFFAOYSA-N	408.567	5.177	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473659283	KBLUYTVUWRSOCM-CXAGYDPISA-N	420.365	5.605	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC(F)F)c1	475024360	RZZACKNUSSNLDI-MRXNPFEDSA-N	414.433	5.219	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1	475597472	WGODBTXVKNEBCE-IBGZPJMESA-N	403.309	5.008	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	475604057	UPZAGIWDKUZFTG-NRFANRHFSA-N	413.452	5.302	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccccc2C)c1CC	482164785	BVMRVNXDHVKDAN-UHFFFAOYSA-N	420.561	5.131	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nccc2ccccc12	483190553	BWWDIJULLALIRP-JOCHJYFZSA-N	409.420	5.116	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1C	483233948	JUYSGXJGUDWNLQ-QFIPXVFZSA-N	419.488	5.119	30	20	HKED	
Cc1ccc(-c2noc([C@H](C)NC3CCC(C#N)(c4ccccc4)CC3)n2)cc1F	483656847	QSXQKIRTPNULEF-QWMSRCPPSA-N	404.489	5.239	30	20	HKED	
Cc1csc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1Br	488814029	IOVNEXVQIMQXSM-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
CCc1cccnc1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C	489007718	VTOZFOUWPNTIGL-UHFFFAOYSA-N	420.538	5.235	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)CC3	491976992	JHTLOGLLJFLSMD-IAGOWNOFSA-N	418.566	5.407	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496310914	MNLJJOAUBPTOFY-UHFFFAOYSA-N	408.449	5.054	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccc2ccccc2n1	499229365	OTEULQSLRLLKIM-UHFFFAOYSA-N	409.514	5.230	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccccc2c1Br)c1c(Cl)cccc1Cl	499851662	YBACQYVWAHXAGH-ZDUSSCGKSA-N	423.097	5.232	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccn2)c1	499861450	PJMWHXHZLLCHKE-FQEVSTJZSA-N	410.399	5.192	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(COc2ccc(F)cc2)o1	500999894	PACGKIWZKFETQQ-UHFFFAOYSA-N	416.408	5.309	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCOCC(F)(F)F)n2)o1	504503731	OBUSXRDKOWOART-UHFFFAOYSA-N	410.339	5.212	30	20	HKED	
C[C@H](NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(C#N)cc1	505323989	BHUKXVDYUCADOZ-MBSDFSHPSA-N	408.505	5.232	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CCC[C@]12CCCCO2	505839963	VNFYUCUKUXUNEX-DENIHFKCSA-N	423.563	5.092	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(n4cc(Cl)cn4)CC3)c2)cc1	506915205	IXIFBMNUYSRAJK-UHFFFAOYSA-N	421.888	5.069	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(NC(=O)NC2CC2)cc1	507642095	ARGCMVWKGLRAJT-HYCNBMAASA-N	402.542	5.025	30	20	HKED	
CCOc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)ccc2C#N)cc1	510172105	HBULIGVONPLQPZ-MRXNPFEDSA-N	403.507	5.138	30	20	HKED	
C=CCN(C(=O)c1cccc(COc2ccc(C)nc2)c1)c1nc2c(s1)CCCC2	510204778	AVSPUUAEMRGONT-UHFFFAOYSA-N	419.550	5.137	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1	511667490	PBDDKDMKXMVKLZ-GLXFQSAKSA-N	423.319	5.278	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1	515914562	NRZQFXUFSFUPNT-QHCPKHFHSA-N	403.913	5.337	30	20	HKED	
CC(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12	518869748	IDSMXTACNGDGHE-CYBMUJFWSA-N	424.432	5.238	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(Br)c1	519450689	JDISJDQAJATWLI-CQSZACIVSA-N	418.360	5.365	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)n1	520478293	JRJMZGFDIFKOIH-UHFFFAOYSA-N	422.579	5.917	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)c1	520971215	HJDREKAOZZEXRM-QHCPKHFHSA-N	420.896	5.781	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1F	521090524	MGZDKRWIHVBNQL-MRXNPFEDSA-N	404.441	5.184	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	521746150	AJEYHYHYVZBOMD-INIZCTEOSA-N	419.554	5.063	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCOCc1ccccc1	522092973	OROXQBBXGCDBHG-UHFFFAOYSA-N	416.496	5.536	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)CCc2ccc(C#N)cc2)C(C)C)cc1	525593734	PYYPNJCYZUSPSB-UHFFFAOYSA-N	412.533	5.604	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c(F)c1	532987239	GAVLMBQXQOFDOB-UHFFFAOYSA-N	401.363	5.193	30	20	HKED	
Cc1cnc(CCN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	533173475	BWKXHLMOPGUUJT-LJQANCHMSA-N	424.957	5.467	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(-c2ccccc2)cnc1C	534091609	ZABJKMLHOKJXHE-UHFFFAOYSA-N	402.454	5.185	30	20	HKED	
C=CCCC[C@H](C)NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1	538422882	TWGVQLDXDGDSRP-ZDUSSCGKSA-N	401.557	5.360	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1C	538486257	CNMFCDDJJCTQJE-GOSISDBHSA-N	408.527	5.175	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(Cl)c1	539124678	FKMIBMABZJXDFJ-UHFFFAOYSA-N	418.884	5.159	30	20	HKED	
COCCN(Cc1ccc(C)o1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542091338	YOQVTIBCJACKBV-LJQANCHMSA-N	417.509	5.046	30	20	HKED	
N#CCc1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1	542235997	DZQYGHVLJISACC-QFIPXVFZSA-N	409.302	5.533	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)C2CCCCC2)cc1Cl	543562372	VFMMDGZNFAZGKR-NRFANRHFSA-N	411.933	5.154	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N1CCC(CC#N)CC1	543829047	LIBBCFINXOUZFF-UHFFFAOYSA-N	417.918	5.013	30	20	HKED	
C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1	552838958	IXFJCWODXSFBAF-YWZLYKJASA-N	416.443	5.109	30	20	HKED	
Cn1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CCC1	559052981	ATRHJJAIQGCJET-OAQYLSRUSA-N	403.913	5.854	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1	565623291	ZUMCLWWDRDMBEL-INIZCTEOSA-N	408.424	5.052	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Cl)c4cccnc34)cc2)ccn1	567551935	DZEVRTUTRAHMEL-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ncc(-c2ccc(Cl)cc2)o1	568338935	LCXBKYWUAGVRTR-HNNXBMFYSA-N	416.868	6.227	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(OC)cc1	578923093	HOICTKDIRGBEBX-JOCHJYFZSA-N	402.454	5.027	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)cs2)cc1	603528773	RMRVUXGSPDUGNG-QGZVFWFLSA-N	403.551	5.396	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(-c3cccc(F)c3)n2)sc2c1CCCCC2	603819859	KKAGCIKDVNGNKC-UHFFFAOYSA-N	411.527	5.332	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	603998792	WIDCQQGGPOFVNO-HXUWFJFHSA-N	417.925	5.210	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604434045	ZSJUBPYVYAAWAL-AWEZNQCLSA-N	408.408	5.249	30	20	HKED	
C=CCN(C(=O)c1cccc(Oc2cnccn2)c1)c1nc(-c2ccccc2)cs1	605615017	ZHFDJYPTFPBACO-UHFFFAOYSA-N	414.490	5.225	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056212	FDTBTCIPHBCUAW-UHFFFAOYSA-N	408.885	5.434	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C	609064078	TWLSSOLKZAGWKA-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#CCn1c(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc2ccccc21	609160834	HBKWMEBUARFOPK-RUZDIDTESA-N	405.457	5.430	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(C(C)(C)C)cs1	609303893	HUGOAIRIAFBAQJ-OAHLLOKOSA-N	421.591	5.954	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1	609497765	IDRZWTQKDHPWFV-HSZRJFAPSA-N	408.498	5.214	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ccnc2ccccc12	609906731	KTWJFTXSEWWWGG-UHFFFAOYSA-N	407.473	5.779	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1C#N	610111808	DAHFIYUNMQMYIY-UHFFFAOYSA-N	408.280	5.173	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCCC	613392205	MIBKOZGEVACZLL-IBGZPJMESA-N	420.534	5.878	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)o1)c1nc2cc(C(F)(F)F)ccc2s1	642282008	BYFVEPSVDZHMCE-MRVPVSSYSA-N	415.190	5.161	30	20	HKED	
COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1NC(C)=O	726427296	JGHQFJXXYLPGNN-ZHACJKMWSA-N	423.900	5.006	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccccc2OC(F)F)ccc1OCC(F)(F)F	728694616	CZQBEEXVRQYCFB-SOFGYWHQSA-N	402.315	5.134	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1nc2cc(F)ccc2s1	730420358	CLCQLUHUHZPUOL-MRXNPFEDSA-N	408.429	5.644	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Br)cs1)c1nc2ccccc2n1C(F)F	730690494	VWHAMSHDCQFHQR-LBPRGKRZSA-N	424.270	5.064	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1	730838081	PIOIFQMQQKIFMJ-UHFFFAOYSA-N	421.884	5.236	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1	731539891	IFGJZBDRPVWOTP-XMMPIXPASA-N	423.472	5.359	30	20	HKED	
CCN(C(=O)/C=C\c1ccccc1C#N)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	732962559	IIKGUUZMPQLNBD-KRQKXCKJSA-N	409.533	5.728	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c1	733801515	QYARHHHHRREYSU-RBBKRZOGSA-N	411.933	5.362	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21)c1ccncc1	734683246	KBDHPFOHHOIRHM-IZZNHLLZSA-N	411.549	5.907	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(Cl)cc1Cl	740535898	PYQHZVFTOPGQKT-AWEZNQCLSA-N	420.683	5.018	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3nc(C)cs3)c2)cc1	740536307	RGGRNJDPMYQADI-YCRPNKLZSA-N	417.534	5.593	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ccccc2OCC#N)cc1	741644187	BTJRKHLLWASMIA-SFHVURJKSA-N	400.478	5.098	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1	743093274	QKQJWYWBPNTGHC-PKTZIBPZSA-N	419.912	5.505	30	20	HKED	
COc1ccc2sc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c(C)c2c1	744016061	IIJMFKMBCBFPCR-KRWDZBQOSA-N	402.475	5.213	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)n1	747193074	DMDFRBHXHCJUFA-GHTZIAJQSA-N	410.539	6.115	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	749054506	GLYQNBWYTDBOJZ-HNNXBMFYSA-N	412.461	5.294	30	20	HKED	
CCN(Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1)C(C)C	751083950	LIUVRNLZDZMMAR-AREMUKBSSA-N	411.549	5.825	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1	752164540	NFHFJHPFXPEQLT-YAINUAMHSA-N	415.905	5.901	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(OC(F)F)cc1	754707219	ZJNKQAGFDKFSLR-UHFFFAOYSA-N	418.875	5.756	30	20	HKED	
CSc1ccc2cc(COC(=O)c3c(F)cc(C#N)cc3F)c(Cl)nc2c1	756587698	BTHCWXATZBEYTO-UHFFFAOYSA-N	404.825	5.117	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1	758169250	HHGQQQULEWECDE-OAQYLSRUSA-N	417.550	5.124	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)CSc1cccc2cccc(Cl)c12	760802116	YZQRFMFECIXZAN-UHFFFAOYSA-N	400.862	5.265	30	20	HKED	
Cc1nc([C@@H](C)ON=CC(=O)Nc2ccc(F)cc2)oc1-c1ccc(Cl)cc1	763172310	ZYLSKGFKLXIHKO-CYBMUJFWSA-N	401.825	5.145	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1C1CC1	763190028	YCOKQDCOLOMSDU-OAHLLOKOSA-N	401.514	5.263	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2[nH]ccc2c1)c1nc(-c2c(F)cccc2F)cs1	765929100	JWFDQWXJZVGKDI-KEDPEKRHSA-N	405.429	5.459	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)N(CC)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	768116599	FSBVZKOQFBCRSP-FCHUYYIVSA-N	417.500	5.269	30	20	HKED	
Cn1cc(COC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C(F)F)n1	770375974	TTYZJUSJUYHGJH-UHFFFAOYSA-N	417.799	5.032	30	20	HKED	
COc1ccc(C[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccc(OC)cc2)cc1	776154248	QLDYEYCPLNQJJF-SIBVEZHUSA-N	416.521	5.241	30	20	HKED	
C=CC[C@H](C(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccccc1	778427942	PGIYVVCFKAFXEM-IBGZPJMESA-N	415.449	5.103	30	20	HKED	
C/C(=C/c1ccc(C)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	779196328	BDRDUBCENJBJQB-RMHQSFGDSA-N	400.450	5.061	30	20	HKED	
CCN(CC)[C@@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1cccc(C(F)(F)F)c1	780403623	YREPZSSXDNOVPR-FUHWJXTLSA-N	423.504	5.545	30	20	HKED	
CCCCCCCCCC(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1	780564736	GKFSAZOCSIWVDK-IBGZPJMESA-N	401.555	5.055	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nccc2ccccc12	792102898	IKVUEXPQGVFRHO-KRWDZBQOSA-N	401.318	5.651	30	20	HKED	
CCCCOc1ccc(-c2nnc(COC(=O)c3ccc(C(C)(C)C#N)cc3)o2)cc1	796041870	ZUIYCJWRXUGSNP-UHFFFAOYSA-N	419.481	5.074	30	20	HKED	
Cc1ccc2c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)csc2c1	796361911	RYTNODMGLPYVQR-OAHLLOKOSA-N	424.547	5.400	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1	800577994	HTCGLBHTHWUWOQ-HSZRJFAPSA-N	406.551	5.634	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	801660204	DIUQQZSBAXDSQW-DFBJGRDBSA-N	410.517	5.923	30	20	HKED	
N#C[C@@H](COC(=O)c1coc(C2CCCCC2)n1)Cc1ccccc1Br	802231104	XYRLSPURJSOKEC-AWEZNQCLSA-N	417.303	5.024	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	805183080	BQCMGKKXNJCRTC-KRWDZBQOSA-N	411.530	5.330	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1	810529871	QCQQXNKBMXSGTO-KRWDZBQOSA-N	422.843	5.161	30	20	HKED	
CC(=NNc1ncccc1F)c1sc(-c2ccc(Br)cc2)nc1C	814927601	WSWGUZPBEFOSFV-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(C(C)(C)c3ccc(C#N)cc3)n2)c1	904636997	WDADBYIIKXPAIL-UHFFFAOYSA-N	404.470	5.281	30	20	HKED	
C=CCCC[C@@H](c1ccccc1)c1nc([C@H]2CCC(=O)N(CC3CCCC3)C2)no1	904833492	CHHFUZBDOSSUQW-VXKWHMMOSA-N	407.558	5.454	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1	915359364	QRUMIIPFDGXAFH-DQEYMECFSA-N	410.521	5.886	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1	916953298	MYCSLKHNSUDPKW-LBPRGKRZSA-N	419.289	5.178	30	20	HKED	
Cc1ccc(OCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C	916975478	CWSNATYKRQFZKD-IBGZPJMESA-N	410.926	5.726	30	20	HKED	
CC(C)(C)c1ccc(SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	917040536	LKWSASKAHRRVSG-INIZCTEOSA-N	413.493	5.697	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=Cc4csc(C5CC5)n4)c23)cc1	920367309	JUHVQDVJVSWQOR-UHFFFAOYSA-N	407.524	5.147	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4nc(C)ccc4o3)cc2)CCC1	1788323780	YBYKPYOCMDJHAQ-INIZCTEOSA-N	417.509	5.096	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5s4)cc3)CCC2)C1	1788413616	ZIMYXGOIZLRTLA-UHFFFAOYSA-N	406.507	5.208	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3scnc3CC)cc2)CCC1	1790197263	QHACBDOOCDBZHI-IBGZPJMESA-N	423.582	5.222	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C	1795126079	SEBDMCABLPVYSI-REPLKXPHSA-N	414.590	5.130	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832402676	PVVSWEHTPUENHS-BVAGGSTKSA-N	412.618	5.121	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2F)cc1	11170199	NQNAVEQMUBFYOD-UHFFFAOYSA-O	415.460	5.005	30	20	HKED	
C[C@@H](OC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)Nc1ccccc1C#N	23526049	OSWIGCVSVXIPRL-QGZVFWFLSA-N	416.502	5.035	30	20	HKED	
Cc1cc(C)c(-c2csc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)n2)c(C)c1	24104734	DGAGRJQGBJUDHQ-UHFFFAOYSA-N	416.506	5.551	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccnc1Sc1ccccc1	25325448	CYBUUXHFLHFZLA-UHFFFAOYSA-N	412.436	5.033	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C/C(O)=N/c1cccc(C(=O)Nc2ccncc2)c1	58181077	XBQXIFMMBSUIQR-UHFFFAOYSA-N	412.449	5.128	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc2cc(Cl)ccc2s1	64682532	DUHSKZULGOTYRP-KRWDZBQOSA-N	405.866	5.627	30	20	HKED	
CC(C)c1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(Cl)cc1	108297024	OAGCHDJHUHHFJN-UHFFFAOYSA-N	422.916	5.584	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1	303067233	WEILAYGDKRHHJG-GOSISDBHSA-N	401.457	5.648	30	20	HKED	
CC(C)(c1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1)C(F)(F)F	430345523	RSHVGTPNAOSIOE-UHFFFAOYSA-N	417.431	5.146	30	20	HKED	
C[C@@H](c1cccs1)N(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1	435192737	JPIBHDQXJULGNN-SFHVURJKSA-N	421.591	5.566	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1C#N	435354197	PNBLHDSFWJYIGL-UHFFFAOYSA-N	409.536	5.347	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	437353450	CTLJJEAEFTWCFG-LLVKDONJSA-N	409.389	5.260	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1C(F)(F)F	438645822	YYOIMDXELMVBFY-UHFFFAOYSA-N	410.399	5.380	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2ccccc2)C[C@H]1C	439312199	AEMIHQFNRBAMBK-SBHAEUEKSA-N	407.583	5.287	30	20	HKED	
N#Cc1ccc(-c2nnc(CN(Cc3cccc4ccccc34)C3CCCC3)o2)cc1	441476394	PHFPRDWCNPRLIH-UHFFFAOYSA-N	408.505	5.706	30	20	HKED	
C=CCn1c(SCc2nc(C(F)(F)F)cs2)nnc1-c1ccc(Cl)cc1	443458384	YHBREDLWYFDSMR-UHFFFAOYSA-N	416.881	5.552	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccn1	443516292	FXGJRJJYBGKISV-CQSZACIVSA-N	423.929	5.688	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1	443860442	UGAIGHUKRFPCEE-UHFFFAOYSA-N	412.474	5.466	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12	444229253	VUQWDZHUEDOOKK-ZHRRBRCNSA-N	409.917	5.104	30	20	HKED	
Cc1cc2cc[nH]c2cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	444979775	AZSGPBNGFDDDGY-UHFFFAOYSA-N	412.468	5.721	30	20	HKED	
C[C@H](C(=O)N(Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1	463464581	MTWFXZBUUIUPNK-INIZCTEOSA-N	420.310	5.053	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	463466511	LSVVYSUZKZMZNM-UHFFFAOYSA-N	419.453	5.421	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@](C)(C#N)C(C)(C)C	464169584	ONOIXFXSFYRYSS-RNODOKPDSA-N	405.951	5.061	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1cccc(-n2ccc(C(F)(F)F)n2)c1	471710273	AGGPHGVHBCLZON-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2cc(Cl)ccc2C#N)cs1	474396474	XQQAGVQAOGCRFO-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1	479836585	GDEUPVFFIFSCFB-UHFFFAOYSA-N	422.488	5.247	30	20	HKED	
CC[C@H](C)n1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C	481007777	HOFRWJMKCXQCJW-WCQYABFASA-N	400.454	5.054	30	20	HKED	
C=C(C)[C@@H](NCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)c(F)c1	481593287	DYFUIUKWNHHGGA-GOSISDBHSA-N	410.251	5.729	30	20	HKED	
N#C[C@@H](C(=O)c1sc(C2CC2)nc1-c1ccccc1)c1nc2ccccc2s1	483437671	IKYWBGKXMJQLJY-HNNXBMFYSA-N	401.516	5.787	30	20	HKED	
C=CCCC1(C(=O)N(C)c2ccc(Cl)c(N(C)C(=O)C3(CCC=C)CC3)c2)CC1	483800757	CPHSBORUAUBQJT-UHFFFAOYSA-N	414.977	5.758	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1	485737139	WQHQFYVITKHJDB-UHFFFAOYSA-N	416.974	5.789	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(Br)c(Cl)c1F)c1ccccc1	487501989	MSAGQQKJIWXOIB-OAHLLOKOSA-N	409.686	5.407	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	487866507	GOWLEQBUORXFPB-KRWDZBQOSA-N	417.431	5.530	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1	488931460	ASEZHFXVDMOFLI-NRFANRHFSA-N	420.578	5.462	30	20	HKED	
Cc1cccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccccc2)c1	499912186	HSQJKISXQZELNO-UHFFFAOYSA-N	418.566	5.435	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3ccco3)s2)cc1	504273749	FLEPKBZEPXCZMU-UHFFFAOYSA-N	415.474	5.300	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OCCC(C)C	505365009	YLVZTVGZPYCOEE-ROUUACIJSA-N	409.530	5.113	30	20	HKED	
N#Cc1ccc(-c2nnc(CNC3(c4ccc(C(F)(F)F)cc4)CCCC3)o2)cc1	505463445	BLIHFQGJIHVENJ-UHFFFAOYSA-N	412.415	5.186	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)cn1	510326544	XKGSIKKBQSOCEU-UHFFFAOYSA-N	413.521	5.139	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCN1CCCCCC1	510540036	SHVKRFVTRNVRGF-UHFFFAOYSA-N	406.530	5.047	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	510614573	LFCJQEPLJRFTNY-UHFFFAOYSA-N	405.203	5.371	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cn1	510892772	HLKNZKZRGXELKK-SFHVURJKSA-N	417.534	5.616	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	511080416	GLKLFDQZEKOELV-UHFFFAOYSA-N	413.424	5.360	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1NC(=O)c1ccccc1	513207445	YZZNRCACLGBNQK-GOSISDBHSA-N	423.394	5.151	30	20	HKED	
CCCOc1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc2ccccc12	513238235	KKYANEXGYASJOA-MRXNPFEDSA-N	405.523	5.528	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	513875634	CUUBDASJMFFSMA-UHFFFAOYSA-N	407.420	5.683	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1cccc(Cl)c1Cl	517492462	ZZXLAVNPANHVPM-HNNXBMFYSA-N	423.097	5.232	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCCc3cccc(Cl)c3Cl)cc2)nc1	518372478	YTDJWOBXBUIHHC-UHFFFAOYSA-N	412.276	5.025	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3C[C@@H]4CCCN4Cc4ccccc43)cc2)cc1	518373615	SRMUBJJYTRHTPZ-QHCPKHFHSA-N	423.516	5.170	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C#N)c(C)c1C	518738819	AIANAMLIWLJXLN-ZDUSSCGKSA-N	410.568	5.004	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(c3cccc(F)c3F)CC2)c2ccccc21	519606922	XMQJTHYGFXUXSZ-UHFFFAOYSA-N	407.464	5.243	30	20	HKED	
C[C@@H](NC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(C#N)cc1	520382496	IQSANHKDEMODBU-GFCCVEGCSA-N	416.428	5.583	30	20	HKED	
Cc1ccccc1CN(Cc1cccnc1)C(=O)CCCCOc1cccc(C#N)c1	521089366	MDNIJQIXTBIEOT-UHFFFAOYSA-N	413.521	5.040	30	20	HKED	
CCCC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC)cc1	521257914	NKEXFMPYEJFUTR-XLIONFOSSA-N	411.571	6.000	30	20	HKED	
CCCCc1nc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2[nH]1	523272478	UBGFTVVZUXRYQJ-UHFFFAOYSA-N	414.465	5.201	30	20	HKED	
C[C@@H]1CCCN(Cc2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)cc2)C1	533212206	GEAOAQGTVILPJF-OAQYLSRUSA-N	413.569	5.308	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)CC2)c1	533254554	RUEOWPSSUHPLCW-UHFFFAOYSA-N	401.447	5.205	30	20	HKED	
C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1	533532330	FVDSSRFEDLQCBD-CQSZACIVSA-N	402.325	5.277	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1	536633147	YLVFCKIGDGBCIU-OAQYLSRUSA-N	421.378	5.119	30	20	HKED	
C=CCCC[C@H](C)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F	540533756	BBNJYDVBEAKBPO-JTQLQIEISA-N	421.250	5.068	30	20	HKED	
C[C@H](N[C@H]1c2cc(Br)ccc2SC[C@H]1C)c1ccc(C#N)c(F)c1	540707947	JPCLVEMLDKUBLB-UYSIFFEZSA-N	405.336	5.594	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	546709006	MYROTWOIMUUTQC-ORAYPTAESA-N	403.404	5.201	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)cc2)ccn1	555007852	KCATZAGAXZETJR-LEWJYISDSA-N	404.857	5.077	30	20	HKED	
N#Cc1ccc(CN2CCC(NCc3cnc(-c4ccc(Cl)cc4)s3)CC2)cc1	556610032	SIHACHACCDOZDV-UHFFFAOYSA-N	422.985	5.089	30	20	HKED	
N#CCCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1	558138136	LKXGFHIHQIDXOA-UHFFFAOYSA-N	420.296	5.816	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2ccc(Oc3cccnc3)cc2)ccc1OC	566398762	OVNPKTGQPLFKTF-LJQANCHMSA-N	404.510	5.688	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1	576454844	KJOJTOHOSXGGPZ-DEOSSOPVSA-N	405.567	5.243	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3scc(C)c3C#N)c3c(C)noc3n2)c(C)s1	589035463	RRGGKTKWPYIYHN-UHFFFAOYSA-N	408.508	5.370	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Cl)c1	589959117	MTCRSCNBAADTDR-UHFFFAOYSA-N	409.232	5.176	30	20	HKED	
CCN(C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)[C@H](C)c1ccc(C#N)cc1	603528692	CXMJCJRFNDDUDI-HXUWFJFHSA-N	422.532	5.108	30	20	HKED	
N#CCSCC(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1	603616516	SIJXYHTXABLPPT-UHFFFAOYSA-N	402.519	5.056	30	20	HKED	
C=CC[C@H](C)NC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606930249	ZGKQAPKTASAOMT-AAEUAGOBSA-N	408.365	5.206	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2ccc(F)cc2)CCC1	609060779	DWMKYIOHRUBMJN-UHFFFAOYSA-N	414.480	5.645	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3Oc3cccnc3)cc2)c1	609064700	LOXKPGVBHBJBGC-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1Cl	609378440	IKXVGPLASRGZSA-UHFFFAOYSA-N	402.800	5.756	30	20	HKED	
CCN(C(=O)CNc1ccccc1S[C@@H](C)CC#N)c1cccc2ccccc12	609431088	NRRALQSMBIPFPF-SFHVURJKSA-N	403.551	5.699	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	609694996	RDMCRQMIQORHDG-VQTJNVASSA-N	420.434	5.621	30	20	HKED	
COc1ccc2sc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c(C)c2c1	610224380	OEFJBHNWRPGAKO-UHFFFAOYSA-N	420.412	5.283	30	20	HKED	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	610404609	DHKAWSSKLGTNMN-AZGAKELHSA-N	413.496	5.139	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)c4ccccc4n3C)n2)cc1	613318957	KMGNHXGTLNWIFN-MRXNPFEDSA-N	405.910	5.754	30	20	HKED	
CCc1ccc(N(C(=O)CCc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1	619123232	HTVGDYFHSYDXKQ-UHFFFAOYSA-N	411.530	6.028	30	20	HKED	
Fc1ccc(-n2nccc2CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	684367533	QYFUVHAKEBMXKN-VXGBXAGGSA-N	409.349	5.011	30	20	HKED	
Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	726241001	VWMASKAIQOSVCO-QGZVFWFLSA-N	407.514	5.540	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2ccccc2COCc2ccccc2)cc1Cl	726460741	LQTPIJIQQKGFMF-UHFFFAOYSA-N	421.953	5.415	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727934849	MVGPNWDOPWOPIW-RPWUZVMVSA-N	411.505	5.720	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)c(F)c2)c(F)c1	730480963	DKAQGCJUILDYTP-UHFFFAOYSA-N	422.431	5.575	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	730606696	JQELSGZKLFXZAI-UHFFFAOYSA-N	408.376	5.002	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	730993915	FTZCSPOLPRNOAG-OAHLLOKOSA-N	424.957	5.397	30	20	HKED	
O=C(c1cccnc1)N1CCc2cc(N=Cc3cc(Cl)cc(Cl)c3O)ccc21	733749882	DGXWDOCFNIEYIQ-UHFFFAOYSA-N	412.276	5.048	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc2c(c1)OCO2	735237042	PXJDQKPXCODHEX-UHFFFAOYSA-N	419.481	5.138	30	20	HKED	
C=C(Cl)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	736245611	YZQDSHFDLWPGNQ-XNTDXEJSSA-N	413.886	5.004	30	20	HKED	
Cc1cc(C)c(NC(=O)COC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(C)c1	738750074	VMZKLZURPVAUEF-UHFFFAOYSA-N	413.477	5.023	30	20	HKED	
COC(=O)[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(C#N)cc1	739990714	NJRSTVLKVXIIAR-HSZRJFAPSA-N	413.502	5.085	30	20	HKED	
COCc1cccc(/C=C2/CN(C(C)(C)C)C/C(=C/c3cccc(COC)c3)C2=O)c1	742433008	LQSVUXRICUKYRC-MQDDAKQZSA-N	419.565	5.130	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)s1	743626634	YLYVRCZGWQRMOX-OAHLLOKOSA-N	424.595	5.517	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3cscn3)c2)cc1	744033250	NXBDXUXCOGMLFB-QRWLVFNGSA-N	403.507	5.285	30	20	HKED	
C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1)C(=O)O	745021432	OJSHTCHLWOFNHQ-FPAJZGIOSA-N	423.446	5.071	30	20	HKED	
N#Cc1ccc(CCC(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1	746436467	GXKSTNSIWAGMKJ-QGZVFWFLSA-N	401.306	5.356	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cnc(-c2ccccc2Cl)s1	748003711	HXDBFLJRASBGRW-AWEZNQCLSA-N	416.289	5.078	30	20	HKED	
CCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)o1	752238860	YEBVWYKGBHXEBX-VMPITWQZSA-N	402.422	5.157	30	20	HKED	
C=C(C)[C@@H](CC(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21)OCC	756468252	AMQGKXHGUDKNJF-VQIMIIECSA-N	411.523	5.119	30	20	HKED	
C[C@H](OC(=O)c1cccc(CC#N)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761088008	DSJFVNWARWHMKM-NSHDSACASA-N	402.237	5.027	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)cc1	766400080	PDQWHTCGXNGZST-QGZVFWFLSA-N	415.802	5.662	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)nc1)c1nc2cc(C(F)(F)F)ccc2s1	772639084	HBVAVDCHRLPCCD-VCUZLRKMSA-N	407.804	5.253	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1	772639723	KKNZRTMHBRLDNE-HSZRJFAPSA-N	420.896	5.161	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1	773096417	VOGYTRYBZJNADR-KKSFZXQISA-N	418.459	6.020	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1	776833824	WEBGBQUDHRRGKA-MSOLQXFVSA-N	424.932	5.387	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1cc(F)cc(Br)c1	776959328	WZWKMHGBHCZKPI-BLLLJJGKSA-N	420.282	5.152	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)c1ccc(Cl)cc1	777303450	ACZPRJFALHMFAU-IAQYHMDHSA-N	417.317	5.688	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H](c3ccc(F)cc3)CC2)c1=S	777971563	ZALADYILUIRZHA-SFHVURJKSA-N	423.561	5.028	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Cn1c(C2CCCCC2)nc2ccccc21	780179010	XDHHPRWEUAHQJW-QGZVFWFLSA-N	402.498	5.014	30	20	HKED	
Cc1ccc(C)c(Oc2ccc(CNC(=O)Nc3ccccc3O[C@H](C)C#N)cn2)c1	780676603	PQRMOSMVBCJHAG-GOSISDBHSA-N	416.481	5.103	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2c(-c3ccccc3)oc(C)c2C)ccc1OC	780703211	BCTADQFLSDZZHP-HXUWFJFHSA-N	418.493	5.183	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)n2)cc1	786359708	OHBDNSJQMRBVKH-KFWWJZLASA-N	414.939	5.514	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(Br)cs2)ccc1OC	786854418	NQJWHSZIZIOJNC-DOMZBBRYSA-N	409.349	5.051	30	20	HKED	
CCCCCCCCn1nc(C)c(S(=O)(=O)Nc2c(C)ccnc2Cl)c1C	788204423	CSCSQJXRQRSSCY-UHFFFAOYSA-N	412.987	5.018	30	20	HKED	
Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)sc2ccc(C#N)cc12	794230991	KTHJSNKYTPDZSM-OKILXGFUSA-N	423.513	5.086	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC=C(c3ccncc3)C2)c1=S	795735724	PLEVDXSWTDRSMH-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
N#CC[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	796634110	RBCUQIAPKDUISS-IFMALSPDSA-N	423.472	5.214	30	20	HKED	
C=CC[C@H](OC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccc(Cl)c(Cl)c1	797553384	HJLPFRVEJUYKNC-FQEVSTJZSA-N	420.340	5.514	30	20	HKED	
CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	813060740	ITCCCYPIRKWDLV-HNAYVOBHSA-N	417.843	5.365	30	20	HKED	
C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(N2CCCOC2=O)cc1	815599876	FDIRZKDIGMVSFS-IBGZPJMESA-N	411.505	5.423	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CC2	815912920	CTMIEVVKAWTKBX-UONOGXRCSA-N	416.424	5.230	30	20	HKED	
COc1cc(C=NNc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)cc1OC	915270639	MGLWFIUREUSCDQ-UHFFFAOYSA-N	401.388	5.231	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccccc3)n2)cc1	916912572	BLOVIMGPOXFJBG-NRFANRHFSA-N	417.534	5.043	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)sc2cccc(F)c12	916915560	FOOAFLCGTYEEON-INIZCTEOSA-N	402.450	5.463	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2nc3ccccc3s2)cc1	916947632	OXUIPBDXCIDVBB-IXUWUVECSA-N	403.507	5.171	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CC3(Cl)Cl)cc2Cl)cc1	918052718	KLWLNHZEMLTVDS-GFCCVEGCSA-N	410.688	5.319	30	20	HKED	
CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	918566380	RMKZHKDKNGCTRQ-JOCHJYFZSA-N	412.493	5.124	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1	918747436	BWGNZQAYZAFGNH-GOSISDBHSA-N	419.472	5.284	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920138954	LZDMJYVSCCNSLC-HXUWFJFHSA-N	418.518	5.220	30	20	HKED	
CC(C)c1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920142388	PAOWBOCESYDCSM-FQEVSTJZSA-N	417.559	5.774	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1)C(F)(F)F	1790265858	WZUYDWWUPHGDKV-UHFFFAOYSA-N	422.834	5.206	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1	1814443018	HWFUFVLLLOENPH-AZUAARDMSA-N	412.578	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(CC)CCC2)CC1	1828475342	KNZHYEMUAQZHBR-NRFANRHFSA-N	402.623	5.179	30	20	HKED	
C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1	1830424247	XRTHWDRHWBUQMB-QHCPKHFHSA-N	414.634	5.016	30	20	HKED	
N#CCc1ccc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)cc1	20055257	BXKAYNAXOCSLEU-UHFFFAOYSA-N	416.531	5.155	30	20	HKED	
Cc1c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc2c1CCC2	22121829	FXZNIGFVVFRTEM-KRWDZBQOSA-N	413.546	5.537	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)no2)nc2cc(Cl)ccc2c1=O	29851408	DEOLASWTLCXEKW-UHFFFAOYSA-N	409.898	5.183	30	20	HKED	
COCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccccc12	32289421	PNESAAXYYBZYGK-UHFFFAOYSA-N	412.445	5.282	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	58698235	MVOUBJUBGUTAEU-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc3ccccc3c2)cc1	59799226	OBMMJFTZURHMBT-UHFFFAOYSA-N	422.484	5.502	30	20	HKED	
N#CC1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1	61585316	ZZUOJQTYBQMVTE-UHFFFAOYSA-N	410.926	5.754	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1	64714147	YYUIYJQKIODRTE-LBPRGKRZSA-N	408.351	5.597	30	20	HKED	
CN(C)C(=O)Sc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	97550615	BPSRRYDFMHTFBP-UHFFFAOYSA-N	401.491	5.251	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)s2)n1	108955853	CWMVMTVNJNGPJJ-UHFFFAOYSA-N	401.944	5.449	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC2)cc1	409656833	POKGTGQRHZFIST-UHFFFAOYSA-N	424.544	5.030	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccc(Oc2ccccc2)nc1)c1ccccc1	431872666	UTBBQTHSVZFTLO-JOCHJYFZSA-N	400.482	5.108	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(C#N)c1	434863276	YLOPPIIJNSJFFJ-QFIPXVFZSA-N	417.852	5.202	30	20	HKED	
N#Cc1cccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c1	435035110	GNWHKDYWDOHQSZ-KRWDZBQOSA-N	409.561	5.151	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	440390400	RTWAPYUCXSZJQM-BKMJKUGQSA-N	409.489	5.287	30	20	HKED	
C=CCn1c(SCc2csc(COC)n2)nnc1-c1ccc(C(C)(C)C)cc1	463037017	VIBDBGALPKCMBN-UHFFFAOYSA-N	414.600	5.324	30	20	HKED	
Cc1ccc(N(C(=O)[C@H](C)c2cccc(C#N)c2)c2nc3ccccc3s2)c(C)c1	463575721	MTNLPVJPVXFJJD-GOSISDBHSA-N	411.530	6.253	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)ccc1OC1CCCC1)c1cc(C(F)(F)F)ccn1	464410868	XKPLIRDJPFJMRC-INIZCTEOSA-N	408.807	5.565	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	464447959	UQVLMTJHZVREHD-CYBMUJFWSA-N	408.395	5.638	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1	464713862	QWAHFPGTCCPSPR-IRLDBZIGSA-N	414.530	5.360	30	20	HKED	
CSc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)c(Cl)cc1Cl	471043553	LWANYUUGTQIOAM-UHFFFAOYSA-N	404.369	5.348	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1scnc1C(C)(C)C	473732240	OYFWQMVTNOTCDW-UHFFFAOYSA-N	405.523	5.452	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccco1)c1ccccc1OC	475574812	XNYZSVKFBKIZQE-DEOSSOPVSA-N	404.510	6.051	30	20	HKED	
CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	475648404	UFSHDOHZLFWYNG-UHFFFAOYSA-N	418.522	5.350	30	20	HKED	
C[C@@H](SCCCOc1cccc(C#N)c1)C(=O)Nc1ccccc1C(F)(F)F	477355235	QPRQFFSCNZLWHH-CQSZACIVSA-N	408.445	5.106	30	20	HKED	
COCCOc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(C)c1	479557982	ZHLMEQNJUKEMQD-UHFFFAOYSA-N	418.518	5.295	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccc(Br)c2)nnc1-c1cccnc1	481392031	JZKQJIKBEISHJK-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1cccs1	481393553	YHWXZDKIUHONLZ-UHFFFAOYSA-N	402.595	5.670	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1C	481395808	DNGJHSRHOMLPGB-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(Br)cc1Br)c1ccccc1	483039460	KAGGSKWLHUHSSE-CYBMUJFWSA-N	422.120	5.238	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cs2)cc1	483232243	SCLUUIGCYWYPCS-QGZVFWFLSA-N	414.490	5.031	30	20	HKED	
N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1cnc2ccccc2n1	483240933	UUTOZUHGENWZTJ-HXUWFJFHSA-N	402.457	5.123	30	20	HKED	
N#C[C@H](C(=O)c1ccn(C2CCCCC2)n1)c1nc(-c2c(F)cccc2F)cs1	483524000	LWDGMKXNNSTNQF-CQSZACIVSA-N	412.465	5.280	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1c(F)cccc1F	486327133	HHKZPKCPSOXVPL-LLVKDONJSA-N	414.399	5.732	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Br)s1	489672630	BJPKABUHRTUIND-UHFFFAOYSA-N	422.373	5.159	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1	490439403	UDKUNCPKDWFSGW-UHFFFAOYSA-N	420.366	5.115	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](C)c1c[nH]c2ccccc12	494329534	NFELOTUJZHEXLC-INIZCTEOSA-N	410.477	5.668	30	20	HKED	
CCCn1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1	498554289	KCJXMBAXDLRXPP-CYBMUJFWSA-N	412.465	5.062	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	501170162	ACCFFICICWNIGX-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
N#C[C@@H](C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc(-c2c(F)cccc2F)cs1	505700435	JQROTSDNZSRTTN-SJORKVTESA-N	424.472	5.472	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	509605732	QOGQAUFKZONYNO-UHFFFAOYSA-N	413.905	5.076	30	20	HKED	
CCC[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	510232422	URVIKAGZBCTUOT-SFHVURJKSA-N	423.567	5.365	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3C3CCCCC3)c2)c1	511538750	JYTAKOGNAPOGMU-QHCPKHFHSA-N	416.525	5.387	30	20	HKED	
CCCN(CC)C(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	511774078	PPTRUHGLLHAIHO-UHFFFAOYSA-N	417.534	5.411	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(N(C(C)=O)c2ccccc2)n1	512517107	QIBCHPLGHZDXDR-UHFFFAOYSA-N	423.586	5.183	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	513212576	NSVYSFVRXXGSJZ-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCc4c(Cl)cccc43)cc2)ccn1	515020736	OMUDOYSXPRQYSZ-NRFANRHFSA-N	404.857	5.208	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	515795469	UNCJMOPUXJPUTC-DEOSSOPVSA-N	424.504	5.488	30	20	HKED	
CCc1nc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1	517420068	GVLRMUYXFNQZJV-GOSISDBHSA-N	410.930	5.336	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(c4ccccc4)CC3)c2)cc1	517905602	LLGJCTCIEZIGQX-UHFFFAOYSA-N	412.493	5.141	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)o2)c(C)c1	518507586	GKVDZXJFRHVCMI-KRWDZBQOSA-N	402.475	5.575	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1	518752532	SGMMZCBJSOCIJD-INIZCTEOSA-N	422.554	5.141	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	519909560	FLRIXJXAALIJPX-UHFFFAOYSA-N	405.498	5.290	30	20	HKED	
CCCCCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	521746262	DJYPVIYPTCARQG-SFHVURJKSA-N	413.562	6.302	30	20	HKED	
CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H](C)c1cccc(OC)c1	522305109	TWCOMIDXJXHPQX-IBGZPJMESA-N	414.505	5.369	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc(C(C)(C)C)cs1	523585491	LJIBPRCIKZYHOZ-INIZCTEOSA-N	404.539	5.118	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)no1	525024647	YLGXEFLXAOZKOQ-UHFFFAOYSA-N	405.502	5.006	30	20	HKED	
FC(F)CSc1ccc(C(F)(F)F)cc1NCc1nccn1CC(F)(F)F	525174403	KLMDHEINXKUCAV-UHFFFAOYSA-N	419.341	5.434	30	20	HKED	
COc1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1C#N	525624446	XKCBDSFYNQKEJD-GHRIWEEISA-N	408.486	5.642	30	20	HKED	
C[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(Cl)c1	525631596	QTTFVTBQNABUTH-GFCCVEGCSA-N	414.943	5.098	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCCC[C@H]3c3ncc(-c4cccc(F)c4)[nH]3)cc2)CC1	530564253	YUUOXIMRHUMWCQ-QFIPXVFZSA-N	414.484	5.138	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)Nc2cc(C#N)ccc2C)CCC3)cc1	531081441	IBFQGQZGAOYECT-IBGZPJMESA-N	418.522	5.198	30	20	HKED	
C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	535642466	RUFLVYAIZVYUKH-GOSISDBHSA-N	416.546	5.307	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cccnc3-c3ccccc3)c2)c1	535858430	BPNKOWLBCBWATI-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(OC3CCC3)cc2Cl)c1C	536242769	FJHREFIMNYQGLT-UHFFFAOYSA-N	420.900	5.198	30	20	HKED	
COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)ccc1OCc1ccccc1	537404816	LWOCEIXEKMDWOF-QZTJIDSGSA-N	404.485	5.697	30	20	HKED	
Cc1nc(-c2cccnc2)sc1[C@@H](C)NC1CCC(Oc2ccccc2C#N)CC1	537980312	QJRDILNNGQXQTI-YMTQGWHGSA-N	418.566	5.426	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F	538226570	TZLVYFYYPIXEFF-IVZQSRNASA-N	417.525	5.284	30	20	HKED	
CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	539576506	DOZNVCYHUZSMBD-VQTJNVASSA-N	401.432	5.055	30	20	HKED	
COc1ccc(CNc2cccc(NC(=O)C3CCCCC3)c2)cc1OCCCC#N	539957242	JFUWHZOSPCMDTN-UHFFFAOYSA-N	421.541	5.509	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(Cl)c(C#N)c2)n1	542549932	IEGSOKHXVRXEAY-UHFFFAOYSA-N	415.280	5.366	30	20	HKED	
CC(C)OCc1ccccc1-c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1	544276398	WYLKOGQKFWYSFE-UHFFFAOYSA-N	412.449	5.388	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCC[C@@H]2CCCCO2)cc1Cl	546212965	KRQFPXLOAFZGQL-PZJWPPBQSA-N	411.933	5.466	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(-c2c(F)cccc2F)cs1	551706587	LPPQUVDQDGKRJD-CVEARBPZSA-N	410.445	5.082	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(-c2ccc(OC)cc2)nc1C	553452503	VCBCKVYGARADJK-UHFFFAOYSA-N	424.570	5.123	30	20	HKED	
CC(C)CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](C)c1ccccc1Cl	560264896	BWDQXQYNWUFLPS-IBGZPJMESA-N	421.976	5.731	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1csc(-c2ccc(F)cc2)n1	567569523	JWQOIAJSXCZEJB-UHFFFAOYSA-N	409.873	5.146	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1Br)c1ccc(Oc2cccnc2)cc1	568322068	MYYVSGXTDPWVHB-OAHLLOKOSA-N	408.299	5.359	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H]1[C@H]1CCCO1	568690600	FTOUIPGWHDASFK-NHCUHLMSSA-N	410.901	5.034	30	20	HKED	
Cn1c(CNCc2cc(F)c(C(F)(F)F)cc2F)nc2cc(C(F)(F)F)ccc21	569166105	CMAIQCBVTQWUEA-UHFFFAOYSA-N	423.307	5.179	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)c(F)c1	572292202	WALUPDXQWJFTMP-JOCHJYFZSA-N	420.419	5.463	30	20	HKED	
Cc1ccc(CN(Cc2cccs2)C(=O)CC2(C#N)CC2)c(Br)c1	590359906	GOFHKXWAAABIMZ-UHFFFAOYSA-N	403.345	5.042	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1	603532780	SEUMWOYVVFOQMY-QHCPKHFHSA-N	420.871	5.196	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1OCC	603656365	PPBUJQPTDGHZIQ-QHCPKHFHSA-N	423.557	5.804	30	20	HKED	
COC(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	603765915	DBBTWRDHPQLXLS-FQEVSTJZSA-N	404.853	5.034	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)c1	607821720	BKHHOIGMDXHOPQ-UHFFFAOYSA-N	414.933	5.922	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Cl)o3)cc2Cl)c1	609079468	AGBNMKGGKFREHC-UHFFFAOYSA-N	416.264	5.359	30	20	HKED	
CCOc1ccc(CCC2CCN(C(=O)c3cc4ccccc4n3CC#N)CC2)cc1	609162084	WQMPKFBUFWSEMT-UHFFFAOYSA-N	415.537	5.049	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cc(F)ccc3Br)c2)cc1	609176635	QLUMCDSHIKWYEV-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1F	609217684	OLOVYGBMQLPOEE-UHFFFAOYSA-N	418.255	5.255	30	20	HKED	
COCCOc1cc(C)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609298245	HTAINRZUSLWTRM-UHFFFAOYSA-N	420.440	5.076	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1	609377233	RZIOHQIBNLYACE-OAHLLOKOSA-N	410.470	5.502	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F	609389351	MIIQMCUKWPPMSS-KGLIPLIRSA-N	406.523	5.792	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1ccccc1	609435209	YHPDTGHFTWZPQY-WMZHIEFXSA-N	415.562	6.186	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1	609724887	NROMILZHQHWACD-UHFFFAOYSA-N	411.914	5.434	30	20	HKED	
CCN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)c1cccc(O)c1	609844894	PBLIWXOVVIEXRT-KRWDZBQOSA-N	401.466	5.671	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	609863320	LFRFGLKOERZGAQ-MRXNPFEDSA-N	406.869	5.197	30	20	HKED	
CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1C	610683288	AZVCMEJOPJLZIZ-UHFFFAOYSA-N	413.477	5.487	30	20	HKED	
CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCCO[C@@H]1c1ccccc1	611266770	KXPBJXOBBDQCFW-ZEQKJWHPSA-N	414.553	5.063	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1Cl	619780080	CLJJOMVSIWVCMW-IRXDYDNUSA-N	407.926	5.188	30	20	HKED	
C=CCN(C(=O)[C@H](C)OCC1CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	620326982	JFQYDQSXBZCDDC-LBPRGKRZSA-N	411.354	5.451	30	20	HKED	
N#C[C@H](C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nc2cc(F)ccc2s1	674407968	RMTXCZRXDSBBAD-MRXNPFEDSA-N	405.429	5.490	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	678322386	HTTODKXWMJOTEC-LJQANCHMSA-N	411.530	5.816	30	20	HKED	
C=CCCOCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	679995481	YQDQRGMUHJRVIA-ZDUSSCGKSA-N	423.275	5.037	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726473554	LHOVEMWSTBSKPM-CQSZACIVSA-N	412.946	5.035	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1csc(C(=O)O)c1	730148703	KAOSJGOSGHCLBW-DJWKRKHSSA-N	403.799	5.164	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1	731320606	KWFJBHYSWMRJCF-QGZVFWFLSA-N	419.575	6.682	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)c1	734081541	MMKQONWQKXLXPM-LJQANCHMSA-N	417.534	5.360	30	20	HKED	
C=CC[C@@H](NC(=O)N(CCc1ccccc1)Cc1ccc(C)s1)c1ccncc1	734680653	QEJSUNXPEAAUNC-HSZRJFAPSA-N	405.567	5.523	30	20	HKED	
COc1cc(COc2c(F)cc(F)cc2C(C)=O)ccc1OCc1cccc(C#N)c1	734982938	OMLDQAGKZGQTDF-UHFFFAOYSA-N	423.415	5.206	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=S)N[C@H]3CCOc4ccccc43)c2)cc1	741485180	KHIYPYKVPXNCKF-NRFANRHFSA-N	401.491	5.161	30	20	HKED	
N#Cc1ccc(-c2ccn(CN3CCc4sccc4[C@H]3c3cccs3)n2)cc1	744131184	WSQMFISQLKWILB-QFIPXVFZSA-N	402.548	5.150	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCCCc2ccc(Br)cc2)n1	747199590	XRXBWEROCGYYEL-INIZCTEOSA-N	405.361	5.618	30	20	HKED	
N#Cc1csc(/C=C(\C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)c1	748439422	QUNWARUMBURQAH-ZDLGFXPLSA-N	418.909	5.006	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)C[C@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1	750442621	IJVNWMFZFAHAHY-WBAXXEDZSA-N	410.436	5.117	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1	752210855	QXKVXYHKYLWLPN-HSZRJFAPSA-N	417.896	6.291	30	20	HKED	
N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	754524691	IIUXZANIJXQEOY-CYBMUJFWSA-N	417.317	5.833	30	20	HKED	
FC(F)(F)c1ccc(-c2nc(C=NOc3ccccc3C(F)(F)F)cs2)cc1	754713119	ZRWWWUKBCCOQRD-UHFFFAOYSA-N	416.346	6.261	30	20	HKED	
CCOc1ccccc1C=NO[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	757614961	NZVGCJRFKPBQLV-GFCCVEGCSA-N	406.269	5.554	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C\c3ccc(Cl)c(Br)c3)cc2N1	758027042	UBOXRQRQQPWNDG-RQOWECAXSA-N	414.733	5.104	30	20	HKED	
O=C(/C=C\c1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1)c1ccc(Cl)nc1	759083143	LTCWAJLMFNVXAV-MVTUOISNSA-N	409.272	5.576	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCC(O)(c2ccccc2)CC1	760932534	XNFYFOCJSZHDMS-OYMFQORVSA-N	409.555	5.033	30	20	HKED	
N#CCOc1ccc(Cc2nc(-c3cccc(Oc4ccc(Cl)cc4)n3)no2)cc1	762296398	DQUWYASIDZSTJY-UHFFFAOYSA-N	418.840	5.070	30	20	HKED	
N#Cc1cc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c(Cl)c([N+](=O)[O-])c1	764302219	FZSMMKUIYLDYCW-UHFFFAOYSA-N	413.220	5.088	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccco2)s1	766256933	WUNUPVLRBIXHGO-CYBMUJFWSA-N	418.446	5.284	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1SC(F)(F)F)c1cccc(C(F)(F)F)c1	768178218	FTTYGOLCCGJQHO-CYBMUJFWSA-N	404.335	5.312	30	20	HKED	
O=C(Nc1cccc(C(F)(F)F)n1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	775741896	MLXLCWBWRWFHJH-HTQZYQBOSA-N	423.279	5.131	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(OCc2cccc(Cl)c2)c1	780177347	PAADONPGKMSXRX-INIZCTEOSA-N	406.869	5.462	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1c(Cl)ccc2cccnc12)CCCCC3	781121380	ZALNYYYMRGCKIX-UHFFFAOYSA-N	422.941	5.119	30	20	HKED	
Cc1cc(Br)c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1Cl	782073088	PDWURKRHRHMMCJ-LLVKDONJSA-N	408.683	5.346	30	20	HKED	
CC(C)N1C/C(=C/c2scnc2C2CC2)C(=O)/C(=C\c2scnc2C2CC2)C1	782302224	PIIZVYJZVPMWOV-DNRQYRRUSA-N	411.596	5.115	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1	788682641	UHUCPQRZJFADQX-SFHVURJKSA-N	421.541	5.720	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccccc1OC)c1nccn1C	789454837	GMEMBSXKDGNLLB-HSZRJFAPSA-N	418.541	5.192	30	20	HKED	
O=C(OCc1ncc(C(F)(F)F)s1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	789670057	BJQZLIAHUNTKQF-UHFFFAOYSA-N	413.314	5.095	30	20	HKED	
Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)o1	797184956	FXTZIQNDANVGCE-TWGQIWQCSA-N	400.261	6.043	30	20	HKED	
CC1=C(Br)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1	797618262	IKWDUPXNXXZMFR-UHFFFAOYSA-N	412.287	5.257	30	20	HKED	
Cc1cc(COc2ccc(/C=C/C(=O)c3cnn(C4CCCC4)c3)cc2)oc1C(=O)O	799895133	CLKPFNOICTZQIN-DHZHZOJOSA-N	420.465	5.073	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCc3c2[nH]c2ccc(C)cc32)ccc1OC	808705264	CDUFIHVTCOEHFW-AVRDEDQJSA-N	403.526	5.333	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SC)c(F)c2)cc(OC)c1OCC(F)F	809154293	QZJZQFWJFCBINX-GQCTYLIASA-N	412.429	5.105	30	20	HKED	
O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ncsc1C(F)(F)F	809326379	JPUMVLCHEFLNEP-SECBINFHSA-N	423.256	5.641	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC	818618616	UXCFBVHBFOUHMS-INIZCTEOSA-N	418.921	5.050	30	20	HKED	
CCOc1ccc(OC(C)(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915179779	IRQZSVJSYQWPFQ-XMMPIXPASA-N	414.505	5.537	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)c2ccc(F)cc2)cc1	916584237	NBFGVPSLYYFVBS-UHFFFAOYSA-N	405.450	5.029	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-c3ccccc3)o2)cc1	916708100	JLYPOGFRFBOGEY-XMMPIXPASA-N	407.473	5.924	30	20	HKED	
Cn1c([C@H](C#N)C(=O)COc2ccc(-c3ccccc3)cc2Cl)nc2ccccc21	916843444	HRUFYYZYVZGIEI-GOSISDBHSA-N	415.880	5.149	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2s1	916847676	OEXDFSKUOYKXTE-GOSISDBHSA-N	420.925	5.171	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3)o2)cc1	916955987	WJVWLKIXFMDUGE-UWJYYQICSA-N	415.493	5.135	30	20	HKED	
N#Cc1ccc(CCC(=O)NCCCN2c3ccccc3Sc3ccccc32)cc1	917104203	SCZXNIFAKUICPW-UHFFFAOYSA-N	413.546	5.300	30	20	HKED	
CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	918237197	ACXVVHRCOLFURB-OAHLLOKOSA-N	413.905	5.027	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2sccc2s1	918486941	HJKUPBWBEJZJRO-HNNXBMFYSA-N	418.499	5.716	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1cccc(OCc2ccccc2F)c1	920363459	AKAQPXFMHIIYQJ-UHFFFAOYSA-N	418.497	5.143	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)nc(C(C)(C)C)nc1O	1291990659	LSRSWNMTRKCHPU-UHFFFAOYSA-N	416.481	5.013	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3SCC)cc2)CCC1	1790210217	JKLOUVZCDSLRCR-KRWDZBQOSA-N	423.582	5.154	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccccc3C3CC3)cc2)CCC1	1792086346	BBRRPVQKWSGOIG-UHFFFAOYSA-N	420.578	5.231	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2	1798335967	ZTIBOLIARNNFGM-YYIAUSFCSA-N	421.368	5.014	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1828823609	VLPOQGLROWVKGL-LEWJYISDSA-N	414.615	5.058	30	20	HKED	
N#C[C@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc2ccccc2s1	1036936	ALANGDHTTGSNBJ-LLVKDONJSA-N	403.315	6.308	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1ccncc1	6907740	UJMQEMUVPVKPLR-OAQYLSRUSA-N	418.953	6.061	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)Nc1ccc(CC#N)cc1	58418111	IFTUAWIYZGXHKG-UHFFFAOYSA-N	420.488	5.423	30	20	HKED	
CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H](C)c1ccc(C#N)cc1	60477407	JJVAWKVAIZWTHT-CQSZACIVSA-N	400.404	5.210	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2s1	108935117	CPSNRCISOLIGNS-UHFFFAOYSA-N	416.597	5.268	30	20	HKED	
N#CCCn1cc(CNCCCO[C@H]2CCCc3ccccc32)c(-c2ccccc2)n1	237829632	UNHSSEVNIUPTNQ-VWLOTQADSA-N	414.553	5.038	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	303306303	NVJCHPDJUOCCTL-UHFFFAOYSA-N	416.477	5.185	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H](C)c3nc(C4CC4)no3)n2)o1	303609091	OJQDMQCRPUYYNX-SNVBAGLBSA-N	420.416	5.654	30	20	HKED	
O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1c(Cl)nc2sccn12	303944897	UKYRBJZQIRSLSN-FNORWQNLSA-N	411.895	5.815	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cc(C)oc1C	409598196	DJXMLDDIUUVZST-ZDUSSCGKSA-N	409.299	5.257	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	429109147	YXLLLXQKRVGEJX-UHFFFAOYSA-N	404.514	5.125	30	20	HKED	
C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431856938	XAAIUSDCJDBLGO-APWZRJJASA-N	419.447	5.207	30	20	HKED	
Cc1c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)sc2ccc(C#N)cc12	432417572	WGYXGWCMCSCLQX-UHFFFAOYSA-N	410.568	5.022	30	20	HKED	
CCCOc1ccc(Br)cc1C[S@](=O)CCCCC(C)(C)C#N	436087029	JOUHAYIFQAQZPG-HSZRJFAPSA-N	400.382	5.207	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)cc(Br)c1	437226710	HYJJZMSUHYEEAK-LLVKDONJSA-N	409.736	5.607	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2ccc(Cl)cc2n1	437671015	FFDSMJNQHHRZAY-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)cc1	438630395	HDRXVQODEBONAP-INIZCTEOSA-N	417.431	5.072	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12	439215661	NHBPWSMHSGVZOA-SHQCIBLASA-N	408.501	5.288	30	20	HKED	
N#Cc1cc(N(C#N)CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)ccc1F	439696772	IQGZKILEHFJRIR-UHFFFAOYSA-N	420.831	5.069	30	20	HKED	
N#Cc1ccccc1SCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2	439714018	XHDQTFPBDKCPIB-UHFFFAOYSA-N	419.575	5.219	30	20	HKED	
C[C@H](SCc1nc(Cc2cccc(Br)c2)no1)c1cccc(C#N)c1	443143360	SATQLYSIRADYHF-ZDUSSCGKSA-N	414.328	5.289	30	20	HKED	
CN(CCCCC(C)(C)C#N)Cc1cccc(Br)c1OC[C@H]1CCCO1	444668634	CQVVBQAALLQOKM-GOSISDBHSA-N	423.395	5.159	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(Br)cc1	444895577	KHQMWAGXRBOCFA-KBPBESRZSA-N	418.360	5.584	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc2ccccc2n1C	461278605	OYBJTBAMDWQTCJ-UHFFFAOYSA-N	416.868	5.167	30	20	HKED	
C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1	461482199	ATMFMBALBLYERX-OAHLLOKOSA-N	405.552	5.185	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1ccccc1COCc1ccccc1	463576737	IOACDBHJGSMYGM-UHFFFAOYSA-N	403.478	5.229	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3Cc4ccc(O)cc4C4(CC4)C3)c2)cc1	463753307	LHVKWIMPYGRUPP-UHFFFAOYSA-N	411.461	5.135	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(C#N)c(F)c1	464641887	GDPCMUPDBKLRTD-UHFFFAOYSA-N	413.861	5.225	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1	470647301	UIBGHTUHYPQABX-UHFFFAOYSA-N	405.567	5.118	30	20	HKED	
Cc1cccnc1N(C)C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C	470666055	DSABOFIHAILNAB-UHFFFAOYSA-N	420.538	5.005	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@H](c3cccs3)C2)c1	473183879	IRZJSYANHQZJRR-FQEVSTJZSA-N	424.909	5.279	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1	475551280	XUYGYJXQGGOBJN-ILBGXUMGSA-N	414.553	5.785	30	20	HKED	
C=C(C)CN(C)C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1	477536597	YAMOGLJJIJUPGV-UHFFFAOYSA-N	411.571	5.389	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCCC2)nc1	477619907	ZSLNGPMJCLXBPK-UHFFFAOYSA-N	414.534	5.347	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1	478025674	VIGWTDSLLFXSDY-SFHVURJKSA-N	405.445	5.208	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H]2CCc3ccccc3C2)cc1	480180094	PPJWDNFJTYEDBQ-OAQYLSRUSA-N	410.517	5.465	30	20	HKED	
COc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	480401971	FHSDKIJLFRQSFH-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
Cc1ccc(-c2nc(CCNC(=O)c3ccccc3Oc3ccccc3C#N)co2)cc1	480595604	NQIXGYLMWNISSN-UHFFFAOYSA-N	423.472	5.287	30	20	HKED	
Cn1c([C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)nc2ccccc21	481928070	QJSHTPJJTBQZRW-BVAGGSTKSA-N	406.533	5.592	30	20	HKED	
CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	482851625	YFQULIIQAKYOPU-GGAORHGYSA-N	422.594	5.564	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cs2)cc1	483222765	BVFQMDZFMJMMMB-FQEVSTJZSA-N	413.502	5.637	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccccc1F	483623892	KINUJPKESJTXDZ-HZPDHXFCSA-N	401.507	5.199	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21	487217117	QXKKEVIQRJQPCL-UHFFFAOYSA-N	405.445	5.362	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CSCc3ccc(Cl)cc3)s2)cc1	487359335	VGFZRECXXZEWJW-UHFFFAOYSA-N	413.955	5.131	30	20	HKED	
N#Cc1cccc(-c2cnc(CNC(=O)c3ccc(SCc4ccccc4)cc3)[nH]2)c1	491998214	XEVIIZOEPNCIIF-UHFFFAOYSA-N	424.529	5.171	30	20	HKED	
CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	494217268	USIYEXRXRUJJHE-YOEHRIQHSA-N	415.588	5.135	30	20	HKED	
CCN(C(=O)COc1ccc(C#N)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	496519932	UAICKPDBZXQSDG-AREMUKBSSA-N	413.521	5.094	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1c1cc[nH]n1)c1ccc(C(F)(F)F)cc1	500105597	MRJCDJFLZJUPAO-IEBWSBKVSA-N	406.452	5.373	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC(CC(F)(F)F)CC1	500916740	KEUNNNOEQXXJHT-AWEZNQCLSA-N	400.338	5.193	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2cscn2)c1	504025833	XDLWHEMPUWJNQL-UHFFFAOYSA-N	406.511	5.036	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccco4)s3)cc2F)c1	504906473	YPZQZGMVMGETPD-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1)c1ccccc1	505805118	LPBJGQVVSOIHFT-MZNJEOGPSA-N	407.514	5.060	30	20	HKED	
C=CCOc1ccc(CN[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1	506618236	MFMFTNLDHVMDIH-VWLOTQADSA-N	416.521	5.038	30	20	HKED	
Cc1c(C#N)cccc1C(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1	509284416	GRDLFNHYYSYJKY-UHFFFAOYSA-N	420.494	5.201	30	20	HKED	
Cc1c(C(=O)Nc2cc(C#N)ccc2OC(C)C)sc2nc(C(F)(F)F)ccc12	509607450	XGALKXIIDPFLJI-UHFFFAOYSA-N	419.428	5.535	30	20	HKED	
Cc1cc(C)n(CCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	510003769	BJEJDRJFVFYNIG-OAQYLSRUSA-N	421.932	5.021	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccccc1SC[C@H](C)C#N	513214725	ZMVUJAGHTQWGKP-OAHLLOKOSA-N	406.507	5.377	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1	515124747	HAETVZBTZBTNTN-UHFFFAOYSA-N	421.522	5.105	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1	518660922	JCCSTWCAGITXFJ-ZDUSSCGKSA-N	418.444	5.619	30	20	HKED	
N#Cc1ccc(/C=C\c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1	521043611	PAKHFHLPDBORPR-SEYXRHQNSA-N	403.445	5.177	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1	521245008	FSJMJOYKJWEWSC-UHFFFAOYSA-N	416.387	5.067	30	20	HKED	
CCc1ccc(-n2nc(C(=O)Nc3ccccc3SCCC#N)c3c2CCC3)cc1	521716432	JIDZPRJDBZOIJV-UHFFFAOYSA-N	416.550	5.181	30	20	HKED	
CCOc1ccccc1Oc1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cn1	522408535	FRAATOHARIKGTQ-UHFFFAOYSA-N	414.387	5.170	30	20	HKED	
C[C@H](C1CC1)n1nccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523970612	RZISIIUFSKYPIO-CQSZACIVSA-N	406.873	5.424	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(O)CCCCCC2)cc1Cl	524130807	ZDAGZJJDGHTWCP-HXUWFJFHSA-N	411.933	5.202	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2	524389206	WHWUKRZELSJWKK-UHFFFAOYSA-N	400.522	5.601	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1	530447285	MJEUBEYNAWDMRI-LJQANCHMSA-N	406.448	5.412	30	20	HKED	
N#Cc1cccc(CC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)c1	531390414	VTGGGCKTFOHUGD-UHFFFAOYSA-N	403.894	5.729	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C	533489293	XMVSFBPRUMLFDO-KSFYIVLOSA-N	413.562	5.535	30	20	HKED	
CC(C)(C)c1cc(NC(=O)Cc2cccc(OCc3cccnc3)c2)c(C#N)s1	538073381	XEEZBDKJCWKTNK-UHFFFAOYSA-N	405.523	5.072	30	20	HKED	
C[C@@H](N[C@@H](Cc1ccccc1)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	541593453	KDAFDEAUIYIZMV-BEFAXECRSA-N	421.591	5.071	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)c(Cl)c1	542042586	WJJJUDBKESROTL-HNNXBMFYSA-N	418.806	5.072	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ncc(-c2ccccc2)[nH]1	543880872	VCMSLOLWKWTDJU-FUHWJXTLSA-N	419.554	5.744	30	20	HKED	
COC(=O)CCSCc1cccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1	550293514	LMIGGBKLJCGVPI-UHFFFAOYSA-N	424.547	5.130	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(F)(c2cccnc2)CC1	551676629	XJRLXODOULIHDY-UHFFFAOYSA-N	417.509	5.205	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Cc2c(F)cccc2C#N)c1	552413523	KJQLAZHLTIWSNW-ATIYNZHBSA-N	414.480	5.006	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](C)c1c(F)cncc1F)c1ccc(C(F)(F)F)cc1	553992513	JGCAPKFUNPBBST-YVEFUNNKSA-N	413.390	5.446	30	20	HKED	
CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	557084681	ROBXYGODDJLFJO-XMMPIXPASA-N	413.477	5.128	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)s1	564119105	YXPOMKKAZBDNCH-CYBMUJFWSA-N	421.364	5.308	30	20	HKED	
N#Cc1cccc(-c2nnc(CS[C@@H](c3ccccc3)c3ccc(F)cc3)o2)c1	569507728	MHTQBHCHKLTGNT-QFIPXVFZSA-N	401.466	5.770	30	20	HKED	
C=C(C)Cn1c(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)nnc1C(C)(C)C	573224149	TXNYTHQQUGHWDD-UHFFFAOYSA-N	413.953	5.330	30	20	HKED	
CC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	574515458	CRKDBLDDZNYMRM-GFCCVEGCSA-N	405.262	5.403	30	20	HKED	
Cc1cccc2cc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc12	576071352	SPNXIFDOIKKGKV-AWEZNQCLSA-N	419.531	5.289	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F	576438503	PJOHVHKHSJKNGG-GFCCVEGCSA-N	419.447	5.999	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OCCC)CC1	576987284	MKHFXQLMDFKQMZ-MJGOQNOKSA-N	418.969	5.043	30	20	HKED	
C=CCOc1ccc(CNCc2ccc(Oc3cccc(OC)c3)nc2)cc1Cl	589641502	MVDWUTWTLGPBHS-UHFFFAOYSA-N	410.901	5.391	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3C#N)cc12	598544004	OHSSHDABEMLREW-UHFFFAOYSA-N	406.898	5.232	30	20	HKED	
CCc1nc2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2nc1CC	602739439	FFBFATUFSNUZGR-UHFFFAOYSA-N	413.506	5.002	30	20	HKED	
C[C@@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(C#N)cc1	603633418	FBJKIXQECQWXTE-OAHLLOKOSA-N	424.331	5.968	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cn2)c1	603692968	QZJHIMZDQPCQCR-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3csc(-c4ccc(F)cc4)n3)cn2)cc1	603765808	ZURMVUQTEABELM-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	604044242	GGCMFFNTEQTWNS-QGZVFWFLSA-N	419.912	5.538	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)o1	604183230	QARBOEODELNGAB-UHFFFAOYSA-N	424.416	5.119	30	20	HKED	
C=CCN(C(=O)C[C@@H](C)c1ccc(C(C)C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1	606196923	VVBLBEOSZXMGRL-WOJBJXKFSA-N	417.557	5.055	30	20	HKED	
CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccccc1)c1ccc(F)cc1	609304704	NOYYGAAIMRHTNL-VWLOTQADSA-N	411.480	5.556	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl	609402014	SUVVYGXNGRVCGJ-ZIAGYGMSSA-N	422.381	6.470	30	20	HKED	
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609499526	JVADVQDOGZFBOK-INIZCTEOSA-N	413.433	5.045	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(Br)cc1	609588633	KGWOKEHISRQBLF-ZDUSSCGKSA-N	423.694	5.451	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccccc2Br)sc2ccc(F)cc12	609592745	HCSDFGIMUALUOV-HNNXBMFYSA-N	403.276	5.106	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	609989449	DQKWOIGAHMXTCS-SJCJKPOMSA-N	414.349	5.599	30	20	HKED	
C[C@H](NC(=O)NC1(c2ccc(Br)cc2)CCCC1)c1cccc(C#N)c1	610404818	QASAZASQXVKXHA-HNNXBMFYSA-N	412.331	5.150	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1	615630674	SXQWUTUOUXNEAN-CQSZACIVSA-N	421.310	5.056	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1Cl	619826275	ORILKRRZUNMIMG-UHFFFAOYSA-N	407.876	5.263	30	20	HKED	
CC(C)(NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1F	644112009	KIOXUUJWVMWKHJ-GDNZZTSVSA-N	414.365	5.270	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc2cc(C(F)(F)F)ccc2s1	645955560	KJQFMUSUELMVTM-HNNXBMFYSA-N	414.408	5.324	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(F)c3)SC2=S)cc1Cl	726627173	OFYPCGMENNKETD-UUASQNMZSA-N	409.294	5.410	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccccc2C(F)(F)F)c1	728186420	YUETVVGAGIWCPF-UHFFFAOYSA-N	421.465	5.144	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	728768704	KBOACFNBDBFCNN-UKRRQHHQSA-N	412.461	5.467	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1	729432513	HRQFMJSMSSRVLF-UHFFFAOYSA-N	401.601	5.536	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(Br)c1	730420201	BEGKEDGBOJCVFT-CQSZACIVSA-N	417.303	5.352	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc2cc(F)ccc2s1	730420869	HVXSAZVTRALGPK-INIZCTEOSA-N	405.454	5.290	30	20	HKED	
CCc1cccc2c(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c[nH]c12	732418372	RLAAXNHLZOFZCO-RUZDIDTESA-N	422.532	5.750	30	20	HKED	
O=[S@](Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1)c1ccccc1	734366103	FHZNABSSZJZYIF-AREMUKBSSA-N	404.318	5.757	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	741914960	LTSANGAACINSAF-RTBURBONSA-N	410.304	5.232	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1ccc(Cl)cc1	743095522	LCLALIZHESEVFC-HXOBKFHXSA-N	419.912	5.584	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	744061517	LSYVXPIQNLIRKC-FEGHXTNJSA-N	412.555	5.369	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CC[C@@H](c3ccccc3)[C@H](CC)C2)c1=S	746384309	YHUPVIVWXBJFOF-DENIHFKCSA-N	419.598	5.135	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)n1	747193299	HUHHEZXTGMREKV-WOJBJXKFSA-N	417.534	5.004	30	20	HKED	
Cc1nc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1	750687079	KGBKGKDNGZKCTB-INIZCTEOSA-N	401.944	5.428	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12	752037368	FDMCQEVZHXOGJY-QPPBQGQZSA-N	407.473	5.407	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1	752165963	NTDPYDUCIOEFKB-ROJDOSBLSA-N	423.419	5.753	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[C@H](C#N)c2ccccn2)cc1	757875697	TZDUIPPMYLMZPQ-HXUWFJFHSA-N	409.514	5.600	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1	758169248	HHGQQQULEWECDE-NRFANRHFSA-N	417.550	5.124	30	20	HKED	
C=C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	759208560	QIIURWREDRUKJS-KBXCAEBGSA-N	400.450	5.009	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cs2)cc1	762312554	LUEPNDHVFYZYBG-QFIPXVFZSA-N	417.534	5.019	30	20	HKED	
CCCOc1cccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1	763004649	LEZCKLRSCXIBHO-FQEVSTJZSA-N	406.507	5.026	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@@H]2c2cccs2)c1=S	764861711	ZVDSQIMQVGTBJX-GOSISDBHSA-N	412.584	5.132	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)n2)cc1	768781161	NCDOPXGNTDPXNK-UNMCSNQZSA-N	419.525	5.099	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1	770379268	DIMDIKQHJRAMCR-FPOVZHCZSA-N	422.573	5.253	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1	771115083	NYOVUPITUHXSAF-JYFHCDHNSA-N	409.489	5.005	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	772669253	FADNNHVYVKZZLR-YVEFUNNKSA-N	409.338	5.450	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(OC)c3ccccc23)ccc1OC	772977821	CIGXQLYNZYCIHD-IEBWSBKVSA-N	404.510	5.389	30	20	HKED	
COc1ccc(Cl)c(NC(=S)NCc2ccc(-c3ccccc3C#N)cc2)c1	773162680	RTEZINFIHXWPCB-UHFFFAOYSA-N	407.926	5.374	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2c1	775485311	OWNGTIYDCVBJOO-CYBMUJFWSA-N	411.914	5.401	30	20	HKED	
N#Cc1ccc(CSc2nn(-c3ccccc3)c(=S)s2)c(Br)c1	777892603	WYSBALBLNSIFEE-UHFFFAOYSA-N	420.382	5.590	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC2CCC(O)(c3ccc(C(C)C)cc3)CC2)c1	781905357	NGUBQJWXRIAYEH-QWJQGLKASA-N	406.570	5.411	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	783440866	OPWWRAXACUXNOA-UHFFFAOYSA-N	407.445	5.393	30	20	HKED	
CCOC(=O)Nc1ccc2c(CS[C@H](C)c3cccc(C#N)c3)cc(=O)oc2c1	785538309	VOTPUPGDAZJQIO-CQSZACIVSA-N	408.479	5.227	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1	787041185	OAMOSAHGHXCHSM-AXHNFQJDSA-N	403.309	5.073	30	20	HKED	
C=CC[C@@H](NC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccncc1	790373081	CCTBPMGNPHXEJM-QGZVFWFLSA-N	409.839	5.360	30	20	HKED	
C[C@]12CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C[C@H]1C2(Cl)Cl	791247916	IRUFMDFNRVQUGQ-QUCCMNQESA-N	401.293	5.006	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1cnc2ccccc2n1	792109018	NHQZWJLCHHTQLF-XDHUDOTRSA-N	413.477	5.479	30	20	HKED	
N#CC1(CCCOC(=O)COc2ccc(Cl)cc2C2CCCCC2)CCOCC1	800139968	BZFPZRIEOYCORX-UHFFFAOYSA-N	419.949	5.410	30	20	HKED	
CC(=NN[C@H]1CCOC(C)(C)C1)c1sc(-c2ccc(Br)cc2)nc1C	814909051	WEUKICRWJPLWKV-INIZCTEOSA-N	422.392	5.152	30	20	HKED	
N#Cc1c(COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cn2ccccc12	817906444	ASNVTLGRYPFSDH-UHFFFAOYSA-N	415.063	5.177	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)C(=O)Nc1cccc(OC)c1	916891459	UVRBBZQYPSZKLP-ARKBFRDHSA-N	416.477	5.145	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COc2c(Cl)cccc2Cl)cc1	916955583	RUMKQRBYGVIYPR-XJKSGUPXSA-N	419.308	5.233	30	20	HKED	
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1	917025533	NASOWTAZXYNHKR-HSZRJFAPSA-N	408.526	6.209	30	20	HKED	
N#C[C@@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc(-c2ccccc2)cs1	917026305	YLNQRBRDSAYTRX-QFIPXVFZSA-N	424.525	5.656	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)s3)cc2)CCC1	1787059311	JEDGVPCKJUJUSK-LJQANCHMSA-N	424.566	5.273	30	20	HKED	
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1	4516621	TZSXQCSYEYXWST-BXKMTCNYSA-N	419.550	5.544	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1	7148664	YFDBJDHBUDSKGV-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccccc1C	11165272	KDIYCAKISIFMIO-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccoc1C	23519188	AOPASGSSWDGMJE-AWEZNQCLSA-N	416.934	5.114	30	20	HKED	
O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc(C#Cc2cccs2)c1	33244082	XGXWXDDBHKMKDS-UHFFFAOYSA-N	413.502	5.159	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	46040786	KBWVUIULCRNULH-NRFANRHFSA-N	400.869	5.189	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1	64951032	ADFWERCZECOUQE-UHFFFAOYSA-N	421.324	5.084	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C#N)c1C	96922931	WGSGVUKGPWJUDX-UHFFFAOYSA-N	416.808	5.029	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1OC1CCCC1	303418163	XHNAJEMJYMAVOL-QGZVFWFLSA-N	419.308	5.318	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cn2)cc1	428185322	RWIUJJIARDJRSY-UHFFFAOYSA-N	423.476	5.212	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ncccc2Cl)CC1	429739818	RPQCEFGUVQIRHU-OAHLLOKOSA-N	414.962	5.398	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2Oc2ccccc2C#N)s1	430599064	PTWDMVABLQYOGM-KRWDZBQOSA-N	401.491	5.595	30	20	HKED	
COCc1nc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc2o1	431501409	FDWUGHYSQRUIJY-UHFFFAOYSA-N	415.474	5.249	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	432215171	XBGFOVVJKYYDTL-LJQANCHMSA-N	401.491	5.349	30	20	HKED	
N#CCCC[C@@H](NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1	433023471	QIEJUNZMXDNTNC-GOSISDBHSA-N	400.404	5.280	30	20	HKED	
CC[C@@H](C#N)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1	436046943	SIQSTYHFFNLSEA-HNNXBMFYSA-N	406.898	5.999	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438648573	KBVQKQSVPGMRBF-UHFFFAOYSA-N	400.413	5.025	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1C(F)(F)F	438655964	LYGWTLZSYYJPMJ-UHFFFAOYSA-N	418.806	5.302	30	20	HKED	
C=CCC[C@H](NC(=O)CSCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1	441564780	LQBLSMNZYROXEN-SFHVURJKSA-N	412.477	5.367	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccc2ccoc2c1)c1ccc(C(F)(F)F)cc1	443693189	ZFIRXSWLXBFXHW-SFHVURJKSA-N	416.399	5.214	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c2ccccc21	443873068	AOIJUTCKTDSXLC-UHFFFAOYSA-N	401.388	5.138	30	20	HKED	
O=C(Nc1c(F)cccc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444027481	YYHQUSKKDKLAJP-ZDUSSCGKSA-N	412.280	5.799	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2c(F)cc(C#N)cc2F)cc1	445679966	DZYYEQOIVHJKAN-UHFFFAOYSA-N	414.795	5.543	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H]3CCC[C@@H]3c3ccccc3C(F)(F)F)o2)c1	446001008	GFGUHXLBYUPBAN-MJGOQNOKSA-N	412.415	5.053	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1	460749830	BJGNBXQMYSKCIT-ZACQAIPSSA-N	424.125	5.240	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1	462063720	YOUDGIJNBNMQJG-UHFFFAOYSA-N	422.337	5.252	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc2c1	464472252	DDVLSPZZLQGSCE-LBPRGKRZSA-N	423.188	5.408	30	20	HKED	
COCc1c(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)sc2cccc(F)c12	464937011	DKTXJKSIJXEYGB-LPHOPBHVSA-N	408.498	5.099	30	20	HKED	
CC(C)Cn1ccnc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	466073620	DHTHZQPKWYCZOS-FQEVSTJZSA-N	421.932	5.170	30	20	HKED	
CC#CCCCC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	466435423	YMCDTXBRGJTBLU-ZDUSSCGKSA-N	405.361	5.252	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN2Cc2ccccc2)cc1Cl	468412575	UWCPLLRWBQMYBE-LADGPHEKSA-N	415.924	5.208	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccccc3)c3ccc(F)cn3)ccc21	469303937	YGYBKPILALHWKA-RUZDIDTESA-N	414.484	5.005	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCCC[C@@H]2c2ncon2)c1	469820261	KCUMHOUZGRUACC-LJQANCHMSA-N	422.872	5.144	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC(F)F)c1	474965316	JJOPUJRGSMHYBZ-GFCCVEGCSA-N	408.813	5.050	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	475933891	PSCFTEIBRZCPOV-OFVILXPXSA-N	417.940	5.760	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)c1ccccc1	476665917	IHDJKQKMKRBWIJ-FGZHOGPDSA-N	414.509	5.268	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)Nc1ccccc1SCC#N	476997174	TZACLANNRKVSNL-CVEARBPZSA-N	401.963	5.018	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479154482	APOMYBNVRJKNTI-YMTQGWHGSA-N	411.933	5.304	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cccc(OCCCC#N)c1	480528846	SDITVZTWAKLBLI-AWEZNQCLSA-N	419.294	5.088	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccc(F)c(F)c1	481218458	NJIOIQIBTSGMTF-QFIPXVFZSA-N	416.468	5.209	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccccc1	481909217	NQAGMLBBSXFWDT-HNNXBMFYSA-N	415.881	5.164	30	20	HKED	
Cc1noc(C)c1Cc1noc(-c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1	482712326	AFMSHYXBQKTRKT-UHFFFAOYSA-N	406.829	5.250	30	20	HKED	
CCOc1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1Cl	486619767	OTOIZZIHNCYWEV-UHFFFAOYSA-N	421.884	5.031	30	20	HKED	
CSc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)o1	486696631	MQPMDGSIBJGQLW-UHFFFAOYSA-N	423.441	5.192	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1	487895791	KREGGWPDSRARKN-NSHDSACASA-N	415.316	5.155	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1Cl	510188831	FNOQKUZYXYOPRE-UHFFFAOYSA-N	414.317	5.658	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccco2)s1)c1nc(-c2c(F)cccc2F)cs1	510793083	BCRZFFXFJDITOR-JTQLQIEISA-N	413.430	5.295	30	20	HKED	
CCOc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	510900982	FNLGOFBDOCWIAM-UHFFFAOYSA-N	415.493	5.722	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1	511337543	LJOJTYHQXPLMBQ-QFIPXVFZSA-N	405.542	5.269	30	20	HKED	
C[C@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1c(F)cncc1F	513039653	CBTTVBBWQMYBQF-VFZGTOFNSA-N	414.296	5.083	30	20	HKED	
F[C@H](c1ccccc1)c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1	515917630	QRHHRDNTYZYXSA-GFCCVEGCSA-N	421.272	5.150	30	20	HKED	
CC(C)(C)n1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C1CC1	516270235	QSQYQTXRZXWTIO-KRWDZBQOSA-N	415.522	5.001	30	20	HKED	
CN(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	517078527	AAESMRUDZMHMIY-UHFFFAOYSA-N	411.505	5.010	30	20	HKED	
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	518812206	GPCFYYCDIAWHOV-SFHVURJKSA-N	415.493	5.262	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cc2ccccc12)c1ccc(C(F)(F)F)cn1	519347645	KSQGFFHBARIYHX-MRXNPFEDSA-N	419.200	5.506	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)C2CC2)cc1	519498361	FASZXVTZIKWPHH-QZTJIDSGSA-N	423.582	5.780	30	20	HKED	
Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	520730500	UBGKOWRLLABFOL-LJQANCHMSA-N	400.453	5.428	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1cccc(Cl)c1	521799560	AGQCJSZCXPUXII-CQSZACIVSA-N	410.930	5.481	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CCC2	522152715	NXOKJZHIIINFOO-FBMGVBCBSA-N	415.924	5.751	30	20	HKED	
CCN(CC)Cc1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	522306443	QEJSQSVSGNFGPY-UHFFFAOYSA-N	413.521	5.231	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1	525024414	TVFZWOIVYVIVDG-UHFFFAOYSA-N	400.910	5.005	30	20	HKED	
C=C(C)COc1cc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)ccc1OC	531610167	MSFWMPNRVWSQCD-XMMPIXPASA-N	408.929	5.578	30	20	HKED	
Cc1cc(C#N)ccc1-c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	533740407	IJGNFDPDNZMNJC-UHFFFAOYSA-N	421.485	5.769	30	20	HKED	
N#C[C@@H](C(=O)c1csc([C@H]2CCCO2)n1)c1nc(-c2ccc(Cl)cc2)cs1	534468107	NNFRXKZYRGFNBR-XJKSGUPXSA-N	415.927	5.262	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C(F)F	534824505	LPWJHWXVEWOZPU-CYBMUJFWSA-N	407.490	5.515	30	20	HKED	
C=CCC[C@H](NCc1nnc(C(=O)Nc2ccc(CC)cc2)s1)c1ccccc1	537156622	RYFNSXRBBIIVCE-FQEVSTJZSA-N	406.555	5.150	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)CCC3)cc1	538507979	PNTICPYIUMWBOL-JLTOFOAXSA-N	407.514	5.558	30	20	HKED	
C=CCCOCCCCC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1C	539501492	NKWGKZTZLNAXOG-XMMPIXPASA-N	420.553	5.045	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1OC	558339958	BMTHLGXCGAYJNQ-GDBMZVCRSA-N	413.543	5.289	30	20	HKED	
N#Cc1cc(C(=O)N2CCC(c3cccc4ccccc34)CC2)cnc1C(F)(F)F	559327664	URMUJCBGGCUUFT-UHFFFAOYSA-N	409.411	5.145	30	20	HKED	
N#CCC[C@@H](C#N)CNC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	562844305	WSWXYRQXEFKZKM-HNAYVOBHSA-N	411.336	5.640	30	20	HKED	
C=CCN(C(=O)[C@H](C)Cc1cncc2ccccc12)c1nc(-c2ccccc2)cs1	576425308	JTZKLAJTDTWBGS-GOSISDBHSA-N	413.546	5.756	30	20	HKED	
C[C@@H](NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1Cl	604006978	HCKKRBBECSUWGZ-QGZVFWFLSA-N	419.912	5.080	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(CC(=O)N(CCC#N)c1ccccc1)C1CC1	604323594	UITJTKOKYXDCSV-QGZVFWFLSA-N	415.459	5.178	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	606941713	PWUCIOASZSNMKA-UHFFFAOYSA-N	405.970	5.613	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COC2CCCCC2)c1	608915775	BLVPSNOPRDBSQR-UHFFFAOYSA-N	405.542	5.850	30	20	HKED	
N#C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(OCc2ccccc2)cc1	609028662	MLBZBDRYMFFLQU-RUZDIDTESA-N	409.489	5.061	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2Cl)c1	609062333	MGKJNOURRNMFQI-UHFFFAOYSA-N	413.842	5.013	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1	609384743	OMIVJWADFISLHZ-UONOGXRCSA-N	422.381	5.534	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	609398725	MQCQNUSFYHSALQ-CABCVRRESA-N	421.488	6.182	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)cc2)nc1	609504232	GEIFVSWAMZXUMS-UHFFFAOYSA-N	424.435	5.127	30	20	HKED	
N#C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc(F)cc1	609601869	UYPMVCMRTKMZJV-QHCPKHFHSA-N	415.443	5.427	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CCc2ccccc21	609651561	JUSZZRAZEAZJIX-HNNXBMFYSA-N	404.457	5.770	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1	610007461	GABJVDOTFIIUSL-DNVCBOLYSA-N	402.560	6.043	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)[C@H](C)Oc3ccc(C#N)cc3)s2)cc1	610050624	FNVAIXMMIATDKY-MSOLQXFVSA-N	419.550	5.286	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1F	610313504	KPGPQXAWWTUPCO-UHFFFAOYSA-N	422.366	5.556	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cn2)c1	610860237	BZRDFDYPHJPAIJ-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)CCCN(CCC#N)CCC(C)C	611668719	NWIBRGDWHGRFML-UHFFFAOYSA-N	408.384	5.046	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2ccccc2n1	613292516	MWBVGUSBRCOFMW-QFIPXVFZSA-N	414.468	5.578	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	642281682	ACFLRMUFQVJSOW-AWEZNQCLSA-N	421.831	5.676	30	20	HKED	
O=C(Cc1ccc(F)cc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	676037025	MJBYBZYJZNXRQX-NXEZZACHSA-N	405.741	5.047	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc2cc(F)ccc2s1	677564372	IKCSNHUVAQDSDY-GOSISDBHSA-N	424.460	5.536	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	683151189	RXNYLCUHXFFMRV-UTLUCORTSA-N	416.328	5.316	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(CCC)[C@H]2CCc3ccccc32)c1=S	726588808	MWVAWRAYZQIXSX-NRFANRHFSA-N	405.571	5.019	30	20	HKED	
CCN(C[C@@H](C)C#N)Cn1nc(SCc2cccc3ccccc23)sc1=S	726960699	DUGWSWXJBWCICP-HNNXBMFYSA-N	414.625	5.559	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727267145	OIMFAKONOPEDIG-FLIBITNWSA-N	409.442	5.006	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1csc(-c2ccccn2)n1	727653969	DFPYYYBIURUGSA-KTKRTIGZSA-N	423.950	6.187	30	20	HKED	
C[C@H](C#N)Oc1ccc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)cc1	727684748	LUVWPSAGJTYTHL-OAHLLOKOSA-N	414.962	5.462	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1ccc2ccccc2n1	727995758	CSHIWRLANCXPJS-KAMYIIQDSA-N	419.484	5.646	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(O[C@H](C)C#N)cc2)CC3)cc1	728696936	BIARMUKGTPGVFL-QLENYVDCSA-N	416.502	5.322	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)sc2c1	729189214	XNNMYWVFXCZIPS-LBPRGKRZSA-N	403.290	5.478	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1	730072793	YUFOOWPNZWSMIL-DNVCBOLYSA-N	400.475	5.440	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)/C=C\c1ccccc1C#N	730202451	MMJDQKLQURZGBJ-UQTJOTSZSA-N	407.926	5.534	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)c1OC	730546303	BTPFKTWHCNDESY-QFIPXVFZSA-N	418.468	5.121	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	731114006	BRJFLAYYVPOXOD-QGZVFWFLSA-N	408.571	5.201	30	20	HKED	
Oc1ccc(Br)cc1C=Nc1ccc(Oc2ccc(Cl)nn2)cc1	733205037	IGADHAQAXWTCHV-UHFFFAOYSA-N	404.651	5.141	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(Oc3cc(F)cc(F)c3)cc2)c1	733801390	YZSAEXSDYKFJBF-OAQYLSRUSA-N	408.448	5.728	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1	734205289	GGSKELUJCRWESY-FTJBHMTQSA-N	424.548	5.128	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1	734205290	GGSKELUJCRWESY-IZZNHLLZSA-N	424.548	5.128	30	20	HKED	
CC[C@H](NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccs1	734376722	YORJGKIRPPYIEA-NRFANRHFSA-N	421.591	5.831	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3nc(C)cs3)c2)cc1	740535947	QDZMDHXKJYQPFD-OAQYLSRUSA-N	417.534	5.422	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)/C=C\c1ccccc1C#N	741200110	PXSFAAXWJLDKRR-XFXZXTDPSA-N	410.452	5.211	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	742436690	MLFZQPOJLWYRSU-XDHOZWIPSA-N	412.876	5.676	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC[C@@H]1c1ccccc1	743092740	CGLONJDRZSMAPG-RFLWCCGPSA-N	409.533	6.000	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2[C@H]2CCCCO2)c2c(C)ccc(C(C)C)cc1-2	743451437	DQENNJRIKCINKQ-HXUWFJFHSA-N	408.571	5.536	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1	744030116	ZRYKSGLCLPYCBC-RDTXWAMCSA-N	402.416	5.109	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1	747199136	PLXQPDPCRJDQDB-GOSISDBHSA-N	412.946	5.141	30	20	HKED	
COc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	748562144	LGSJKVALWMJXNM-GOSISDBHSA-N	424.501	5.209	30	20	HKED	
Cc1sc2ncn(N=C[C@@H](C)CCc3ccccc3)c(=O)c2c1-c1ccccc1	749156760	NMSUBJUABGRUOG-KRWDZBQOSA-N	401.535	5.536	30	20	HKED	
COc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OC1CCCC1	752633445	MFNXIKJWJGFHBU-FCHUYYIVSA-N	419.525	5.320	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)cc1C#N	752797193	QQYZXWQPAAXECS-CVEARBPZSA-N	408.502	5.079	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)COC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	757708314	AGJLKHRZQGDGGZ-UHFFFAOYSA-N	419.868	5.059	30	20	HKED	
O=C(/C=C/c1cc2ccccc2s1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	758434190	NOHRDDWGMKAYPJ-JXMROGBWSA-N	410.438	5.133	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1	759589136	RLFWSVGHJRXPSO-NELJVSICSA-N	408.379	5.318	30	20	HKED	
O=C(/C=C\c1cnc(C2CCC2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	760266724	ZEVUIXILDYMVOF-RAXLEYEMSA-N	401.553	5.023	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1	764758103	GNWGRYXCFBKOFC-CABCVRRESA-N	400.425	5.597	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1	767422353	QGLUIBLMEOTOMJ-XMMPIXPASA-N	404.945	5.158	30	20	HKED	
N#C[C@@H]1C(CN2CCC[C@H]2CCC2CCCCC2)=CC(=O)n2c1nc1ccccc12	767902007	KPVRZPHHFFETSN-LEWJYISDSA-N	402.542	5.049	30	20	HKED	
Cc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(O[C@H](C)C#N)cc2)c1	769545931	SBOLPUJKBHJVRL-RLWLMLJZSA-N	400.522	5.022	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C	771529262	XSOXZEQBOPATNN-UHFFFAOYSA-N	411.521	5.306	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccccc2OC(F)(F)F)ccc1OC	772985048	IWUUEYAQRQJGTI-ZBFHGGJFSA-N	408.420	5.126	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C	773034888	GOOQWNBTRYHZIR-HXUWFJFHSA-N	420.431	5.168	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nn1-c1ccc(F)cc1	776813966	WQOCHBIWUBSIPJ-HSZRJFAPSA-N	410.452	5.228	30	20	HKED	
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)Cc1ccccc1CC#N	776991096	PJCZGDJJRRQDIY-CQSZACIVSA-N	413.308	5.046	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1	780673080	NLAWJINEJAMSCB-RDJZCZTQSA-N	420.538	5.601	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1	780680726	IAJJHGRQWVOCBE-OAHLLOKOSA-N	423.419	5.370	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)s2)o1	781766566	UFEHGZBUQHVFKN-KRWDZBQOSA-N	400.459	5.431	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1F	782389560	SEBKTNWCEDJNHC-UHFFFAOYSA-N	410.468	5.531	30	20	HKED	
C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN2CCC[C@](C)(C#N)C2)c1=S	784012613	IJNQAXRUMZPKDE-NTKDMRAZSA-N	417.582	5.274	30	20	HKED	
CCOC(=O)Nc1ccc2c(CS[C@@H](C)c3cccc(C#N)c3)cc(=O)oc2c1	785538307	VOTPUPGDAZJQIO-AWEZNQCLSA-N	408.479	5.227	30	20	HKED	
FC(F)Oc1ccc(NCc2ccc(Cl)nc2C(F)(F)F)c(OC(F)F)c1	786766035	QCCWKOXPFJUVPC-UHFFFAOYSA-N	418.696	5.569	30	20	HKED	
CC[C@@H](CN(C)C(=O)Nc1cccc(OCC#N)c1)Oc1ccc(Cl)c(Cl)c1	787403344	SDGMMWDTRSYEIM-HNNXBMFYSA-N	422.312	5.217	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C/c3cnc(-c4ccc(Cl)cc4)s3)ccc21	789145148	ZAFNHDPYXVTGRO-CSKARUKUSA-N	408.910	5.269	30	20	HKED	
CCCCOc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3OC)nc2)cc1OC	792873858	UVXRLQJLLWBGCQ-ZRDIBKRKSA-N	418.493	5.236	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2CC23CCC(C(C)(C)CC)CC3)n1	796895311	BFNFDXOFBSVBCY-YZEMWESSSA-N	402.560	5.129	30	20	HKED	
C=CC[C@H](OC(=O)c1cc2c(nc1O)CCCC2=O)c1ccc(Cl)c(Cl)c1	797566705	REWFESHWRWFIMM-SFHVURJKSA-N	406.265	5.087	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1O	811596165	AXTJYRXTYRSMQV-UHFFFAOYSA-N	416.477	5.020	30	20	HKED	
CC(C)COc1ccc(C2(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)CCC2)cc1	813214774	DGGPFYOWZRMSJL-IBGZPJMESA-N	416.443	5.433	30	20	HKED	
COc1ccc(/C=C/c2ccc(OC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)cc1	813315856	VEUVPWHVVQUPGJ-SLOGNQAFSA-N	408.457	5.025	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C\c2ccccc2OCc2ccccn2)cc1Cl	819841954	GRJCTQDXIQFRQJ-KHPPLWFESA-N	409.869	5.227	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1	915863219	VSUCEKCHUDMROT-NRFANRHFSA-N	410.395	5.422	30	20	HKED	
O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(OC(F)F)cc1OC(F)F	916140319	LZYPSSKHGWMIEU-ONEGZZNKSA-N	420.771	5.148	30	20	HKED	
Clc1cnc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c(Cl)c1	916317753	WAQZUKLTZVYTFA-UHFFFAOYSA-N	423.307	5.141	30	20	HKED	
CCCC(=O)Nc1ccc(O)c(C(C)=NNc2nc(Cl)c(Cl)cc2Cl)c1	916318140	NHUZBSFSPMRPCQ-UHFFFAOYSA-N	415.708	5.322	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	916628240	OAOJMNUWITYEGJ-FQEVSTJZSA-N	402.906	6.036	30	20	HKED	
N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	916881016	IRSKMCSHBIEKHR-QFIPXVFZSA-N	402.881	5.210	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c2ccccc21	916918359	LSCVTJRZRLYPIO-NRFANRHFSA-N	409.489	5.412	30	20	HKED	
COc1ccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2c1	916974792	QTZWGEWKFOJRJH-LJQANCHMSA-N	401.491	5.027	30	20	HKED	
N#C[C@@H](C(=O)CCOCC(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995643	ANZHEDHHVMHPDL-NSHDSACASA-N	423.243	5.262	30	20	HKED	
O=C(Nc1cccc(F)c1)c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)c1	917557997	YQZDOXOBHYFQMU-UHFFFAOYSA-N	413.792	5.096	30	20	HKED	
CC(C)CCN(CCC(C)C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	918291551	QICLCCVQGKUFGX-DEOSSOPVSA-N	419.569	5.201	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2	919893965	UCTWUFNVPQHAEB-UHFFFAOYSA-N	420.852	5.336	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1	919904620	PVGSBHXDMAUCKD-IRLDBZIGSA-N	417.896	5.641	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccccc3Cl)n2)cc1	920141853	MTJFZFAAPBVUFM-OAHLLOKOSA-N	409.923	5.304	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1	1791587695	GCUPXFUFZWMXTQ-SFTDATJTSA-N	408.929	5.154	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C2	1792574446	BQOXVXJUSFPTCV-HRMJIJJXSA-N	402.623	5.079	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)[C@@H](C)CC	1795574971	KPMPIUNGTADQDT-UZTPJAQSSA-N	422.613	5.223	30	20	HKED	
C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1	1826424711	UCVNEEZJAIQRDG-PBXXJUDPSA-N	410.602	5.012	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1828827907	ZCCHYQMVTHDGKW-XZOQPEGZSA-N	400.607	5.121	30	20	HKED	
C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1	1830784564	NKGJATIHCJUUGB-HXUWFJFHSA-N	423.384	5.111	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1cccc(C)c1C	22729436	IUVUKYLLLLDBFL-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)N[C@H](C)c1cccc2ccccc12	56199488	HYXQMNZOFQJCGU-RTBURBONSA-N	401.510	5.200	30	20	HKED	
Cc1csc(N(C(=O)CSc2nc(C)c(C)c(C)c2C#N)c2ccccc2)n1	58947758	XVOJWOLHEAZLBV-UHFFFAOYSA-N	408.552	5.100	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccc(C)cc2)n1	60951280	FGVYWCOIQJIXRN-UHFFFAOYSA-N	402.972	5.591	30	20	HKED	
CCN(Cc1coc(-c2ccc(Br)cc2)n1)[C@H](C)c1ccc(C#N)cc1	64515287	RAZLHPMQAHWURD-OAHLLOKOSA-N	410.315	5.559	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(OCCCC#N)c3)cc12	71975176	WEMPMXJDOPYSJE-UHFFFAOYSA-N	416.506	5.330	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1	109677947	ZIRADJKBFYXLLX-LJQANCHMSA-N	422.598	5.107	30	20	HKED	
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1	116160679	XFPFOSFMCSNISO-PKTZIBPZSA-N	414.505	5.529	30	20	HKED	
CCCCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1	205295023	SUYDJGAZOQXONR-UHFFFAOYSA-N	403.651	7.573	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1Cl	303730519	VCYIFIQBADGBFV-SFHVURJKSA-N	407.861	5.021	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1	429984714	ICZCFAVMACECJU-UHFFFAOYSA-N	422.488	5.392	30	20	HKED	
N#CCCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1	431630295	JDKZZOSDPYAPSA-INIZCTEOSA-N	416.852	5.072	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	431972490	NDOPURXZVSRBDG-JOCHJYFZSA-N	415.497	5.326	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	432909261	DSYHXFWJDBYVKD-CVDCTZTESA-N	418.541	5.258	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3C#N)cc(-c3cccs3)nc21	433987799	JQYIEVWPKOIXMJ-UHFFFAOYSA-N	405.458	5.004	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1c1cccc2ccccc12	434712836	DTFPTKIKIAWRIG-QFIPXVFZSA-N	401.535	5.231	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1ccccc1	435296705	SWFOLBUDLIYYMD-FQEVSTJZSA-N	408.523	5.168	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438641262	LRSSNMIFFCTKPS-LLVKDONJSA-N	404.417	5.412	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@H](C)c2ccccc2F)cnn1-c1cccc(C#N)c1	439675129	ZAVNJNMQMUCMJB-MRXNPFEDSA-N	405.477	5.060	30	20	HKED	
CCCc1c(NC(=O)c2cc(SC)ccc2Cl)cnn1-c1cccc(C#N)c1	440079941	PLKXXBPWQVUDNC-UHFFFAOYSA-N	410.930	5.324	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1	441231289	MCLHXFHQDOVZEH-LJQANCHMSA-N	407.905	5.386	30	20	HKED	
C=CCC[C@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)c1ccc(C(F)(F)F)cc1	441591617	PQZFHSPVIATNTB-VLIAUNLRSA-N	407.480	5.058	30	20	HKED	
CCCN(CC(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444018743	IIXUVHWDCLWGET-LBPRGKRZSA-N	406.317	5.386	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)s1	444104366	KGAMDUMLHVIKOJ-ZDUSSCGKSA-N	406.349	5.063	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c(C#N)c1C	445996820	SISZDRUUAZEJTK-AXHNFQJDSA-N	419.447	5.040	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl	447131446	AKLVXPFHXDHWQM-OAHLLOKOSA-N	423.925	5.002	30	20	HKED	
Cc1cnc([C@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C2CC2)s1	460337224	XJEXMUBPHJQYEM-HXUWFJFHSA-N	423.925	5.650	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1	463240715	VLIRNTSQPUOOME-CFVMTHIKSA-N	404.377	5.614	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@H](C)c1cccc(C#N)c1	463313653	WLXWETDKXIJAOJ-CQSZACIVSA-N	403.295	5.001	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC(c4cccc(Cl)c4Cl)CC3)o2)c1	463372762	ASFKGKPNTFSRRI-UHFFFAOYSA-N	413.308	5.295	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1SCCc2ccccc21	463747185	HUDHXKTURBEPPN-GOSISDBHSA-N	422.497	5.680	30	20	HKED	
CCC1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCOCC1	466609942	VYBCEVGBZXGNMP-FQEVSTJZSA-N	411.933	5.324	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](C)Cc1cccc(F)c1	468481233	PLYQCICYJBZNCW-MRXNPFEDSA-N	403.457	5.401	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCCCC[C@H]2c2ncon2)cc1Cl	469822928	WJKJJXJEGVXQHO-SFHVURJKSA-N	422.872	5.144	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1	470197540	JAXIIQFUSHAMQQ-UHFFFAOYSA-N	403.954	5.163	30	20	HKED	
CC(C)(O)COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	471099372	UAXKFHOAVKWKQF-UHFFFAOYSA-N	418.518	5.111	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3ccc(C)cc3C)C2)cc1	471249179	INQFUERHAZIPQX-QFIPXVFZSA-N	417.553	5.139	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	474769676	PXFXUMWFHLAOTM-UHFFFAOYSA-N	418.493	5.606	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1	475565062	VRGAGPYZGHXCTR-UHFFFAOYSA-N	419.569	5.227	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1	476084993	POHFRLYPYJSDSP-UHFFFAOYSA-N	407.489	5.689	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1	476361391	AEWKKDQOPMOZRS-HZPDHXFCSA-N	401.963	5.223	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c(OC(C)C)c1	482576509	HAEFBBJEUBWQMF-KRWDZBQOSA-N	406.404	5.166	30	20	HKED	
CC(C)c1ccc(-c2nnc(S[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)o2)cc1	484571083	MNUAKYKLNAUPSG-FQEVSTJZSA-N	418.522	5.019	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)c1occc1COc1cccc(C#N)c1	485910554	ZSJULHZYCUCLMA-UHFFFAOYSA-N	417.248	5.298	30	20	HKED	
Cc1cscc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	486762481	NNBJBFVWZFFTOK-UHFFFAOYSA-N	407.442	5.247	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)o2)c(C)c1	487579158	YNJOVJYFFXJBNY-JOCHJYFZSA-N	402.494	5.640	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N	488780658	KOUZLNNEVCPJIH-CYBMUJFWSA-N	407.461	5.523	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cccc3cccnc23)cc1	490627990	PIOKPELSFXRBFW-UHFFFAOYSA-N	407.473	5.061	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Cl)c(C#N)c1	494708127	IVQURHYLYHNAHO-UHFFFAOYSA-N	418.305	5.461	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)s1	499771528	DSDXNVQWXZUPFZ-UHFFFAOYSA-N	420.519	5.263	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cs2)c1	499861023	JQKVTHNYFCYZLC-QGZVFWFLSA-N	416.333	5.349	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCCc3c[nH]c4ccccc34)c2)cc1	503524628	RPMZWNJTGFKDRU-UHFFFAOYSA-N	424.504	5.177	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1	506953853	QOXSNWBJVPABAL-JYFCICGUSA-N	415.537	5.211	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(CC3CCCCC3)c3ccccn3)cc2)nc1	507979574	FPEIDMMETRKYEK-UHFFFAOYSA-N	412.493	5.368	30	20	HKED	
O=C(Nc1nc(C(F)(F)F)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	508292413	NELWRIDHVWQHOQ-UHFFFAOYSA-N	408.245	5.452	30	20	HKED	
COc1cc(C)c(Br)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N	511696193	UUHGBWWTDQBGCW-CYBMUJFWSA-N	419.344	5.413	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1C	513177033	UTGIJFXFZYBSMG-HXUWFJFHSA-N	422.406	5.438	30	20	HKED	
CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	513674971	MRRQAECUGKJEPE-GBXCKJPGSA-N	406.526	5.111	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@H](C#N)c1nc2ccccc2s1	513687390	RSLCDJDPLXITQM-INIZCTEOSA-N	420.925	5.301	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1	517568028	AHZXGKSVQCPUHR-KRWDZBQOSA-N	404.466	5.008	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	518139904	DKMIXHLUXJSFKR-AWEZNQCLSA-N	418.946	5.641	30	20	HKED	
C[C@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1	520680274	GEAHSPGOYXEJCV-KRWDZBQOSA-N	404.897	5.211	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2cnc3ccccc3c2)c1	522634145	MWNRIDHZSUWYJJ-UHFFFAOYSA-N	413.864	5.482	30	20	HKED	
COc1ccc(Cn2c(S[C@H](C#N)C3CCCCC3)nc3ccccc3c2=O)cc1	524539253	YVBHQKSZSADIAX-JOCHJYFZSA-N	419.550	5.018	30	20	HKED	
Cc1ccsc1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	525019859	DLDLBQACKMKNEB-KRWDZBQOSA-N	402.928	5.166	30	20	HKED	
CCN(C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1)[C@@H](C)c1ccc(C#N)cc1	525067526	JYDROLDBUDNINK-KRWDZBQOSA-N	416.525	5.420	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1c(Cl)cccc1Cl	533250600	ZULMJDKVLQWEEH-AWEZNQCLSA-N	422.381	5.316	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)o1	533425717	YDGYUYGUUPJCMY-UYAOXDASSA-N	411.571	5.538	30	20	HKED	
C[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccccc2)no1	535543778	XLUGGQRIEGDPMG-LJQANCHMSA-N	424.504	5.081	30	20	HKED	
N#CC1(CCCNC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCOCC1	537507702	DPCNHTSIYDOFRB-UHFFFAOYSA-N	403.353	5.773	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@@H](CCC#N)c2ccccc2)CCC3)cc1	537946296	YETXIAPPGBOHTI-SFTDATJTSA-N	403.551	5.831	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1)c1nnc2n1CCCCC2	538045043	HOSVEBABOPSYCX-LJQANCHMSA-N	422.941	5.299	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C	538224137	NCFLBRONOJONOA-AOMKIAJQSA-N	413.562	5.393	30	20	HKED	
CC[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)c1ccc(NC(C)=O)cc1	542003129	POOHSRLXCGGWIX-SFHVURJKSA-N	406.429	5.289	30	20	HKED	
COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1[N+](=O)[O-]	542070002	SVBHHWANCHHKPA-UHFFFAOYSA-N	419.462	5.020	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCc2nc3cc(Cl)ccc3s2)cc1	553165044	FQJPYQHVQRVKMF-UHFFFAOYSA-N	413.930	5.228	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3sccc3-c3ccccc3)CC2)c(F)c1	553204218	IKPQNMVUIVOIOR-UHFFFAOYSA-N	406.482	5.109	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1	554423710	KFSWNIJWJBLSBD-UHFFFAOYSA-N	411.333	5.390	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1	569749174	JWVLSXGLYJHWAN-HNNXBMFYSA-N	422.941	6.293	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)nc2)s1	574350646	TYMSOIIVVVKTKP-AWEZNQCLSA-N	411.914	5.771	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCC1CCOCC1	580914946	KOCISYQXUFNUEQ-UHFFFAOYSA-N	400.466	5.247	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c12	587988790	QORYFIVMZWPDSI-LJQANCHMSA-N	422.419	5.376	30	20	HKED	
CSc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl	588258401	FHXZDOWWJQREKV-UHFFFAOYSA-N	419.909	5.148	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)CC2	589343265	GIELPGXPLMTTSV-QZTJIDSGSA-N	409.249	5.591	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)sc2C)cc1	592974044	MVIVAMKBCJBGEH-KRWDZBQOSA-N	422.506	5.971	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	601888429	PUZGMPXHHRNSCS-ZSHCYNCHSA-N	414.434	5.674	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3nc(-c4cccc(Cl)c4)no3)c2)cc1	609221433	XBHLAXYLQVTVFK-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@H](N2CCCC2)C1	609355754	WDVDNVAQQPRVJL-NRFANRHFSA-N	418.541	5.141	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1	609377900	KLXLKSUKSZRFBG-HNNXBMFYSA-N	421.547	5.504	30	20	HKED	
COc1ccc(CN2CCC(c3ccc(F)c(F)c3)CC2)cc1OCCCC#N	611268881	MDRHBXQERMEUBF-UHFFFAOYSA-N	400.469	5.036	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C	611556678	LSYCBTGRFSBQSV-NVXWUHKLSA-N	417.431	5.854	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(C)CCC(F)(F)CC2)cc1	612303481	FTXWMLVCKUHNIO-UHFFFAOYSA-N	415.440	5.449	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)nc(C)n1	613295998	PLGQMOOEYQOHNO-HSZRJFAPSA-N	413.521	5.460	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)cs1	618733036	FPPUHYXLUROPFC-NRFANRHFSA-N	405.548	5.033	30	20	HKED	
COc1ccc2c(N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)ncnc2c1F	619621505	GNWHWAMJROFDTG-MYJAWHEDSA-N	411.321	5.099	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1nc2cc(F)ccc2s1	673812128	RKZRBYUWNDWGDW-AWEZNQCLSA-N	423.856	5.766	30	20	HKED	
C=CCC[C@H](NC(=O)c1cnn(-c2ccccn2)c1C)c1ccc(C(F)(F)F)cc1	676730597	IYTFCMIVZHBMRW-IBGZPJMESA-N	414.431	5.032	30	20	HKED	
CSc1c(F)cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	680240027	VDCNBIAGTVCTLX-YUMQZZPRSA-N	422.341	5.281	30	20	HKED	
CC[C@H](C)[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F	683632046	LGEUWTHXRCHAED-FBDQPXRJSA-N	416.328	5.172	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccs1	726473372	ZQSUCLFLBKGHHK-CYBMUJFWSA-N	413.955	6.113	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCC(F)(F)F)cc1	726478859	NRKUYQCJXASBCJ-LLVKDONJSA-N	413.852	5.200	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2ccccc2Cl)n1	727309254	FVZFCUOCAQMVPX-UHFFFAOYSA-N	418.909	5.213	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727934850	MVGPNWDOPWOPIW-ZEQRLZLVSA-N	411.505	5.720	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)COc1cccc(C#N)c1	728000070	SXSKIHOGTYQAGH-UHFFFAOYSA-N	406.869	5.117	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)OCc4ccc(F)cc4C#N)cc3)o2)c1	728619366	HZDQYJHZDZQVBK-UHFFFAOYSA-N	413.408	5.080	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1nccn1CC(F)(F)F	728699761	VZEMXOMWSOROJD-VOTSOKGWSA-N	411.836	5.427	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)sc2c1	729188166	KUTUJACDHVFADD-LBPRGKRZSA-N	421.280	5.617	30	20	HKED	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	729828718	TVBMICILNGYHEE-MUSGIIIZSA-N	416.443	5.340	30	20	HKED	
COc1ccc(N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC(C)C)cc1	731031035	PAHNBAHUNLRKPS-SFHVURJKSA-N	411.571	5.191	30	20	HKED	
N#C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cccc(Cl)c1Cl	731195890	PIHDXZHAHCDNPM-BLGFXRMMSA-N	416.695	5.589	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)nc2ccccc21	732594058	ZEDSLMYHCDZMDZ-XPWALMASSA-N	421.500	5.132	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740057949	NGHRLTVRTSWZJJ-UHFFFAOYSA-N	405.523	5.027	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(CC)Cc2ccc(C(F)(F)F)cc2)c1=S	746043236	SQYQXTVOXFLUJB-UHFFFAOYSA-N	422.476	5.358	30	20	HKED	
Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1Br	746368263	HOAPPHCPJXMGGF-UHFFFAOYSA-N	421.751	5.177	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1SC	747615403	WXQKBMZWMFQPMA-JXMROGBWSA-N	412.511	5.212	30	20	HKED	
N#Cc1ccccc1CN(C(=S)Nc1ccc(SC(F)F)cc1)C1CCCC1	747706792	QIXUDWIXCGQZNM-UHFFFAOYSA-N	417.550	6.015	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C(/C)c1cccc(Cl)c1	750683510	GNJKZESXLLENAS-IYCSXQJISA-N	417.292	5.061	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)cc1C#N	752305253	MIRHFGMXNBMDLB-OAQYLSRUSA-N	406.486	5.194	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccccc2F)cs1	757464983	IWHYEUFSTRCEGR-FLIBITNWSA-N	400.862	5.516	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(N)cc4C)c23)cc1	758093653	ASKPXGZHYBCFAZ-UHFFFAOYSA-N	403.511	5.094	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	760183299	KVOZTXOOVDJZQS-QRWLVFNGSA-N	418.880	5.050	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1	760800346	IDDCQUZCYQKBTJ-UHFFFAOYSA-N	413.408	5.302	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c1	761777186	DPNRYSSFHHVSBD-UHFFFAOYSA-N	408.697	5.894	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1c(F)cccc1F	764567685	VIVRKYMNONLLTK-WBVHZDCISA-N	420.415	5.208	30	20	HKED	
COc1cccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1F	771251729	BRSJBEUFGMJKID-AWEZNQCLSA-N	410.289	5.278	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)OC[C@@H](C#N)Cc2cccs2)c(Cl)c1	772736138	WWWKCYPCOFYBTB-CYBMUJFWSA-N	420.918	5.288	30	20	HKED	
N#C[C@@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)cs1	778607788	RHANGFUGRVXBAO-IBGZPJMESA-N	406.482	5.569	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN(C)C[C@@H](C)c2nccs2)c1=S	784043335	JAIBVBZXFIHBOF-CQSZACIVSA-N	420.007	5.070	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1	789717925	ASRWZKYDOODHGG-OAQYLSRUSA-N	404.554	5.537	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(F)c3F)o2)ccc1OC	790962026	XZYRRKKNXIGXBA-INIZCTEOSA-N	412.436	5.204	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[C@@H](C#N)c1nccc2ccccc12	792106223	PTBMULSMFBSTOC-QHAWAJNXSA-N	421.541	5.275	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1Cl	792354111	FWLNNAVBLPNXSD-LBPRGKRZSA-N	422.710	5.057	30	20	HKED	
CCN(Cc1ccccc1NC(=O)c1cc(C#N)ccc1Cl)C(=O)OC(C)(C)C	795311847	LEOFHZLBHSYVEW-UHFFFAOYSA-N	413.905	5.221	30	20	HKED	
CC(C)(CCC#N)COC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1	798878272	ONAFYUMFEVDCQA-UPVQGACJSA-N	418.537	5.040	30	20	HKED	
CN1CCC[C@@H](CNc2nc(Cl)c(C#N)s2)[C@H]1c1ccc(C(F)(F)F)cc1	804463794	JBUITXYHGWKTTE-SWLSCSKDSA-N	414.884	5.182	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2ccccc2O[C@@H](C)C#N)cs1	813152531	FTROHMNVERJNQE-HNNXBMFYSA-N	423.513	5.465	30	20	HKED	
C=CCc1cc(CN[C@H]2CCc3sc(Br)cc32)cc(OC)c1OC	815592129	ZUJCQEYLBFODJD-HNNXBMFYSA-N	408.361	5.033	30	20	HKED	
CC(C)Oc1ccc(-c2ccc(NC(=O)c3ncc(C#N)cc3Cl)c(F)c2)cc1	817050268	HYYUQGMQEWHLFN-UHFFFAOYSA-N	409.848	5.452	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1	912798004	ZDNDNQDVJPFOGY-UHFFFAOYSA-N	421.507	5.061	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C)c(-n2cccc2)c1	915055185	AZYOETQTQZCLFR-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2c(C)cc(Br)cc2C)cc1OC	916405810	ZARTVOBBCZVCCS-VQHVLOKHSA-N	416.315	5.291	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(Cl)cc1Cl	916905505	DLXNVIBKIZWKIO-SFHVURJKSA-N	417.336	5.398	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3nc4ccccc4s3)n2)cc1	916973324	WJJCJCXHZUIEGU-BLIJAFNYSA-N	401.516	5.618	30	20	HKED	
CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1	1789255579	YJBFTFYKRNFEOC-UHFFFAOYSA-N	423.563	5.260	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1	1790090144	BEFQREYMWKZNNO-UHFFFAOYSA-N	421.884	5.138	30	20	HKED	
C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CCC2)cc1	1791575935	PSRODYDTCILBJE-ZCLUNYJNSA-N	414.615	5.045	30	20	HKED	
C[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1)c1ccccc1	1792232812	MIYXJLNZJCLVIV-IBGZPJMESA-N	415.537	5.008	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sccc2C)n[nH]1	1816348365	QRRWLAGQYPRUPL-KRWDZBQOSA-N	414.575	5.078	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1824144889	LPMQKIWZDRLCHQ-OYDLWJJNSA-N	414.634	5.201	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)cc1	6367180	LPQFVAUUXCWIBB-UHFFFAOYSA-O	416.353	5.640	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2Cl)cc1	10826997	VGGPLYIXIGOROE-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
Cc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1	15139540	UIRNMIZQKAVEIU-UHFFFAOYSA-N	416.546	5.276	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C)cc2C)cc1	23603691	MTFRTRXMHSBZFD-UHFFFAOYSA-O	420.602	5.539	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(-c2ccccc2)o1	41647386	SPTVNKCSUGSRAZ-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1	57398231	UGNLDDVGALHZRP-UHFFFAOYSA-N	417.943	5.365	30	20	HKED	
C[C@H](NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)c1ccc(C#N)cc1	60615858	HHJPFNVKAHBHBI-AWEZNQCLSA-N	402.498	5.051	30	20	HKED	
COc1cc2nc(/C=C/c3ccc(OC)c(OCCCC#N)c3)sc2cc1OC	64367510	HRFPFVBXNZREHC-VQHVLOKHSA-N	410.495	5.175	30	20	HKED	
CCCCOc1ccc(-c2nnc(CN(CC)[C@H](C)c3ccc(C#N)cc3)o2)cc1	65432821	VGKJMMILVGLJFF-GOSISDBHSA-N	404.514	5.370	30	20	HKED	
C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C	209578798	JCQNSNSIOSJPTE-ZXOFLVKFSA-N	423.513	5.237	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1)[C@H](C)C1CC1	303349629	DWUYMBMQXOOPOQ-RBUKOAKNSA-N	407.583	5.320	30	20	HKED	
CC(C)OCc1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1	303566599	MCVUYYFZRSKLSW-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c(Cl)c1	426166190	NILPSHICMCBNDZ-UHFFFAOYSA-N	405.807	5.552	30	20	HKED	
Cc1ccc(Cl)c2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)nc12	429078289	MWSFMQGOSKZKIE-UHFFFAOYSA-N	415.884	5.226	30	20	HKED	
CCc1sc(NC(=O)c2cccc(SCC#N)c2)nc1-c1ccc(OC)cc1	430927272	HYQNKHGOKMIRNG-UHFFFAOYSA-N	409.536	5.249	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2	431482666	LIKRHFYXEJCUQN-QHCPKHFHSA-N	412.489	5.009	30	20	HKED	
CC1CCN([C@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)c2cccs2)CC1	431726052	FOMVPUAQKHAHJS-FGZHOGPDSA-N	424.614	5.255	30	20	HKED	
N#CCCC[C@@H](NCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1	433033540	FIXMTKFPGCKVNP-ILBGXUMGSA-N	407.533	5.198	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](c2ccccc2)CO1	437382985	FYRBLTRNSFTVMG-UQBPGWFLSA-N	412.489	5.147	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	438640865	IRKAKGLSQNRQPV-LJQANCHMSA-N	403.404	5.345	30	20	HKED	
COc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	438649770	OCWOQPLXQOIZQB-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(-c3cscn3)c2)sc2c1-c1ccccc1CC2	443873383	CRYACOIFDWZVRI-UHFFFAOYSA-N	413.527	5.761	30	20	HKED	
Cc1noc(C[C@H](NCCC(C#N)(c2ccccc2)c2ccccc2)c2ccccc2)n1	444713733	HISHVUWDVIACFK-VWLOTQADSA-N	422.532	5.151	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC(=O)c1cc(Cl)sc1Cl	446236357	VNERUYICEJTTAQ-HOTGVXAUSA-N	421.349	5.316	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C1CC1	447524431	QDQCPOBAVWYGDW-OAHLLOKOSA-N	410.445	5.464	30	20	HKED	
Cc1c(Br)ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1F	447638687	DBRFWGKNKPAUQE-UHFFFAOYSA-N	414.278	5.407	30	20	HKED	
CC(C)c1ccc2ncc(C#N)c(N3CCC(n4ccc(C(F)(F)F)n4)CC3)c2c1	447670133	IFSBKLSKSMNONZ-UHFFFAOYSA-N	413.447	5.287	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1Cc2ccccc2C[C@@H]1c1ccccc1	464724685	INDMFYHFWIUKBW-HSZRJFAPSA-N	413.546	5.040	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)cc1	464932680	KOQZSZQCUDXIOX-UHFFFAOYSA-N	424.504	5.240	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	467993865	JGPZYCJIAQEJFT-GGZOMVNGSA-N	422.291	5.291	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	475576656	ASOIWEVLTOHCGO-OFNKIYASSA-N	405.586	5.713	30	20	HKED	
CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	475760954	HHSQZAXIIAUBAV-DZGCQCFKSA-N	400.466	5.245	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	478395361	RXKJQBTZSWOQNE-AWEZNQCLSA-N	417.456	5.069	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1	480638805	DVVAPMUONXBZIT-MRXNPFEDSA-N	405.523	5.025	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OC(F)(F)F)cc1	484134545	BSHCRUOXKLNGMN-KGLIPLIRSA-N	423.460	5.862	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(F)cc1Br	486235290	YDXZUROORYLANR-LBPRGKRZSA-N	407.308	5.164	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCSc1ccc(Br)cc1)c1ccccc1	487215776	CHUIGROYQWTCOZ-LJQANCHMSA-N	417.372	5.483	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1-c1ccncc1	489438353	OBEWMPUYYWUJQR-GOSISDBHSA-N	406.555	5.205	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCc1ccc(F)c(F)c1	489612494	PLTUMJWIJLZICQ-AWEZNQCLSA-N	406.523	5.131	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	496092213	GVYBZRMZAYQSHF-LBPRGKRZSA-N	404.278	5.472	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1	497685285	BUAIFKGVKFUVAA-UHFFFAOYSA-N	418.400	5.013	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	503226693	STNRPJIMLZLVKN-QFBILLFUSA-N	411.527	5.140	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1/C=C/c1ccccc1	505839432	MLFUJOILFBVDOT-OQPAMZIISA-N	405.567	5.055	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	505982562	SQVZKEAVLHIBHE-ZACQAIPSSA-N	412.333	5.209	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CC1	506575075	GICOUMWNTYMDRR-UHFFFAOYSA-N	403.404	5.655	30	20	HKED	
CCOc1ccc(C2=CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1	510123770	LEJYQSSRGWEAAK-GOSISDBHSA-N	421.566	5.658	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(F)cc1	510856616	JTOILBTTYJFOEV-KRWDZBQOSA-N	403.457	6.023	30	20	HKED	
Cc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)c(OCC(F)(F)F)c1	515479557	UZKAENRDDTXKEE-UHFFFAOYSA-N	402.338	5.116	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)c2C#N)C1	517154739	ZSIJMIHERQYNTO-GFCCVEGCSA-N	411.914	5.234	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCc2cccc(OC3CCCC3)c2)cc1	517482120	ANQJVGJGUCDDNQ-UHFFFAOYSA-N	406.526	5.286	30	20	HKED	
Cc1sc(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c(C#N)c1C	517488233	LSLFXETYNNMMGI-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
COc1ccc(N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C(C)C)cc1F	518566705	YVPOCQZMLBWZBR-UHFFFAOYSA-N	422.431	5.693	30	20	HKED	
Cc1c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cccc1[N+](=O)[O-]	520625878	DVEVICHNBCWYPL-MRXNPFEDSA-N	416.437	5.006	30	20	HKED	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cccc(COc2cccc(C#N)c2)c1	522303397	ABARBUZRDKLNHB-INIZCTEOSA-N	404.432	5.186	30	20	HKED	
C[C@H](S[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	522840485	MYYNYAXCRHBZRO-RYUDHWBXSA-N	412.864	6.052	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1ccccc1)c1cccs1	523991386	CRGFMPFOQQEZDE-QFIPXVFZSA-N	406.551	5.438	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1	525413734	LEOKRMMQMNPKBJ-RTBURBONSA-N	407.583	6.476	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)OCC	533776374	AAIRZFRPYFCLFT-IBGZPJMESA-N	420.431	5.268	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)c2C#N)C1	534354508	JCZJYPDQIGWWHP-ZDUSSCGKSA-N	407.926	5.712	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Cl)cc3-c3nc4ccccc4[nH]3)cc2)CC1	537423541	PKNKMGOAHLBZIA-UHFFFAOYSA-N	412.880	5.691	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(CCCO)c2)c1	541986333	MSQBPDBKRBRQMC-UHFFFAOYSA-N	406.869	5.181	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2)no1	542923668	ZVQKXVXKKUCKML-INIZCTEOSA-N	423.476	5.466	30	20	HKED	
N#Cc1ccc(-c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)cc1Cl	564610995	TZCKANBIQWYIQC-UHFFFAOYSA-N	418.815	5.320	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	573097425	GRPKCYQTMQKRSS-AUUYWEPGSA-N	424.957	5.686	30	20	HKED	
N#CC[C@@H](Cc1nc(Cc2c[nH]c3ccc(Br)cc23)no1)c1ccccc1	583531343	YDQGKDMSYJBLFJ-HNNXBMFYSA-N	421.298	5.144	30	20	HKED	
CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1F	590325312	KNBSKQCIVDFOHF-UHFFFAOYSA-N	410.289	5.407	30	20	HKED	
Cc1cccc2sc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c(Cl)c12	592974373	RHMRXKDYHZLKDZ-NSHDSACASA-N	400.887	6.102	30	20	HKED	
CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N	594418292	VJIOWTRFQCMASQ-CQSZACIVSA-N	416.930	5.344	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccs3)o2)nc2sc(C)c(C)c2c1=O	597138004	YHUZBTHCMKWIMN-UHFFFAOYSA-N	415.565	5.270	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cnc(-c2ccccc2Cl)s1	604517354	IXIGRKPVWONENG-UHFFFAOYSA-N	419.893	5.775	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nnc1-c1ccccc1OC	607758249	NOXVIXGMVVPDCJ-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
CC(C)c1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)o2)cc1	608930111	KTMXNGICGOLKAX-KRWDZBQOSA-N	420.538	5.287	30	20	HKED	
C=CCN(C(=O)Cc1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609009725	KNGCBPIPXUYRGJ-UHFFFAOYSA-N	413.886	5.133	30	20	HKED	
CCN(C(=O)c1nn(-c2ccc(C)cc2C)c2c1CCC2)[C@H](C)c1ccc(C#N)cc1	609297553	XFRGIBZRPDXULT-LJQANCHMSA-N	412.537	5.073	30	20	HKED	
COc1ccc(Cl)cc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N	609388014	BGSLUUITUAUBTA-AWEZNQCLSA-N	420.987	5.615	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1Cl	609727595	NFIPEYMUNYAAHP-JOCHJYFZSA-N	412.880	5.433	30	20	HKED	
CCN(C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)[C@H](C)c1ccc(C#N)cc1	610124667	JAPWJNHYAAYAAR-QGZVFWFLSA-N	406.530	5.010	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1	610172634	RAUIMMLDOJQXFX-UHFFFAOYSA-N	418.497	5.236	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)s1	611052284	CUAJKIYEEVOWKC-UHFFFAOYSA-N	422.560	5.356	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1ccco1)c1nc2ccccc2n1C(F)F	613403809	JHLPZPHNMKWGFC-MRXNPFEDSA-N	423.444	5.807	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H](c2ccco2)C1	614137772	SURYBSUIHLGBGM-OXJNMPFZSA-N	402.454	5.344	30	20	HKED	
C[C@@H](c1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1)C(F)(F)F	622379162	JTDLKLWYPJURNZ-VIFPVBQESA-N	407.276	5.309	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	670060655	IUSFKRLNSKTMQD-IUCAKERBSA-N	423.279	5.003	30	20	HKED	
C[C@H](CCc1ccc(F)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	671740199	RAUNTLLNBZXHPH-PBOSXPJTSA-N	403.357	5.785	30	20	HKED	
C[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	674441747	CPPBZNCDSIHZMA-KPXOXKRLSA-N	407.276	5.008	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)s1	684676363	WNZCFGMHKYGPHH-LBPRGKRZSA-N	401.944	5.708	30	20	HKED	
Brc1cc(C=Nn2cnc3ccccc32)ccc1OCc1ccccc1	725849549	MGQSUIHCCMCVSL-UHFFFAOYSA-N	406.283	5.260	30	20	HKED	
CCOc1ccccc1[C@@H](CC)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726074592	RYFIZDYXDBVWJA-DNQXCXABSA-N	413.521	6.014	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)s2)[n+]2ccc(CC)cc2)c1	726572731	LONNKXZQLZAVEF-UHFFFAOYSA-O	405.568	5.211	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1ccc(C(C)(C)C)cc1	727628146	SHWPSEVOPPEMEM-QHCPKHFHSA-N	418.581	5.779	30	20	HKED	
COc1cccc(NC(=O)/C(=C\c2cc(F)c(F)c(F)c2)C(=O)c2ccccc2)c1	727975143	ADPVVJSJUFAUHA-ZDLGFXPLSA-N	411.379	5.018	30	20	HKED	
C#Cc1cccc(N(C)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1	728481807	NWLTZYDRDDAQRF-UHFFFAOYSA-N	401.318	5.304	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(CC[C@H]3C[C@H]4CC[C@H]3C4)C3CC3)cc2)nc1	732069039	QWPSBQLESGDGAI-YYWHXJBOSA-N	401.510	5.176	30	20	HKED	
O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOc2c(Cl)cccc21	733748846	KSSQWNUWACVGSY-XFXZXTDPSA-N	412.854	5.421	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1	733842616	ZGOCDWBXYQGPAG-CQSZACIVSA-N	411.811	5.361	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3SC(F)F)c2)cc1	734315340	YTRBTLGPPCBJBL-UHFFFAOYSA-N	410.445	5.704	30	20	HKED	
Cc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	734963587	JZQRVYHQCXECNE-DENIHFKCSA-N	412.489	5.629	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	736973634	PARCYTVSZQIBJR-UHFFFAOYSA-N	401.429	5.482	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739594048	CKFBWTCVQNAHII-UHFFFAOYSA-N	420.582	5.005	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](Cn2cccn2)c2ccccc2)cc1	741389416	BKSCADVLAXMFHA-JWQCQUIFSA-N	421.504	5.102	30	20	HKED	
O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1c(Cl)nc2sccn12	741845311	VFCRSNZKMDKTJM-GQCTYLIASA-N	415.883	5.582	30	20	HKED	
CON=Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1	742179757	KOHQHCBQIIRWBC-NRFANRHFSA-N	417.509	5.423	30	20	HKED	
COc1ccc(CSCC(=O)Nc2cccc(C#N)c2)cc1SC(F)(F)F	742971003	LSVNLGDLNOOBHB-UHFFFAOYSA-N	412.458	5.051	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)s1	744034616	CSKBPDRCMQZWSD-SZZPACECSA-N	401.944	5.593	30	20	HKED	
Cc1cccc2sc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)c(Cl)c12	744638071	HTMWHKWGJWFIIE-UHFFFAOYSA-N	409.854	5.142	30	20	HKED	
CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	746125815	MVKYYDSZYUYNHM-HXUWFJFHSA-N	414.534	5.292	30	20	HKED	
CC(C)Cc1ccc([C@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C2CC2)cc1	750880826	XSXLKCJQQCHKSN-NVQXNPDNSA-N	424.548	5.163	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc(Cl)nc1	759039178	DYEVXHUZWNFHKD-XFFZJAGNSA-N	405.860	5.301	30	20	HKED	
C/C(=C/c1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	759205547	DEXGLRSCDGPZBK-GKUQOKNUSA-N	420.868	5.406	30	20	HKED	
C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	759498189	YQCVJSKQRCDMIX-VMRPVKRXSA-N	423.900	5.222	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1	765520826	VALRXZDHIBYBCA-GOSISDBHSA-N	421.928	5.316	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2[nH]ccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	765914594	DKTYHXQZPFJPLK-VWDQUCSISA-N	403.894	5.834	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)cs1	766696568	UXKHLERAPCAXOP-GKXUUXLPSA-N	402.519	5.828	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C(C)=C/c1c(Cl)cccc1Cl	766843614	YOXPPIQTROIMEX-HFBDAHEESA-N	417.292	5.143	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1	768971407	VHZQEDTYYCLHAV-PKTZIBPZSA-N	403.526	5.345	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)ccc1OC	772977930	DIBYTXORIBAMOV-JSGCOSHPSA-N	411.304	5.673	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	775489651	WPEKVIFKIIMOIW-GLYQVZKVSA-N	413.521	6.249	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccc(CC)o2)cc1C#N	775688041	GDTSDGRGSABXFT-YWZLYKJASA-N	424.501	5.287	30	20	HKED	
C=CCSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F	777078889	AHLGRIYWIDCTGN-CYBMUJFWSA-N	409.429	5.168	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(F)c2)CCCCC1)c1nc2ccccc2n1C(F)F	779194534	NUINAQIVTWTRHB-QGZVFWFLSA-N	411.427	5.649	30	20	HKED	
C[C@H](NCc1c(C(F)(F)F)nn(C)c1Cl)c1ccc(-c2cccc(C#N)c2)cc1	782523791	LFPYUYJSUISHGC-ZDUSSCGKSA-N	418.850	5.482	30	20	HKED	
CCCCOc1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1Cl	786133066	ULOJLLHHNATDQX-HNNXBMFYSA-N	401.894	5.131	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)CC)ccc1Cl	789720737	XSRIESREHTVSKM-UHFFFAOYSA-N	405.947	5.238	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)no1	792181978	VIHWUZAZHSLUOG-YEIQHBHTSA-N	406.917	5.445	30	20	HKED	
CC[C@@](C)(C#N)C(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	796902779	GMCZEFKSSJNLRO-FQEVSTJZSA-N	404.388	5.111	30	20	HKED	
C=CCC[C@@H](Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccco1	796934245	JZXYMUAYAMXYQK-LJQANCHMSA-N	400.523	5.168	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C\Sc2cc(F)ccc2F)cc1	797834656	ONQYEXMIORRQRR-FPLPWBNLSA-N	412.383	5.033	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2cccs2)CCCCC1)c1nc2ccccc2n1C(F)F	810536714	NROLZOGQNKVKBE-MRXNPFEDSA-N	413.493	5.862	30	20	HKED	
Cc1cc(C)c(NC(=S)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Cl)c1	811707600	DOXUDUYPECTREC-UHFFFAOYSA-N	408.914	5.825	30	20	HKED	
CCC1(C)C/C(=C/c2cn(C)nc2C(F)F)C(=O)/C(=C/c2cn(C)nc2C(F)F)C1	812243399	LFBJFTUAJDNZCZ-VOFKWTQNSA-N	424.442	5.275	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	813211641	NSGHLKUWTJGBLP-FQEVSTJZSA-N	422.406	5.607	30	20	HKED	
COc1ccc2oc(C)c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2c1	916159908	ZHPJNRBLGPOGLF-UHFFFAOYSA-N	412.445	5.453	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	916883046	GCQDTTDQUNTFOJ-OAHLLOKOSA-N	409.700	5.317	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917044340	SSUBSFJIYPYFGD-DOTOQJQBSA-N	411.452	5.507	30	20	HKED	
COc1ccc(C(=O)CCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	918126880	HAWZYCWOJJTFCN-DEOSSOPVSA-N	412.489	5.342	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cc1	918156345	NQTMVBGSBVOROO-CYVLTUHYSA-N	419.527	5.123	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1F	919904049	QUGTUVOJRDPMKV-UHFFFAOYSA-N	405.429	5.128	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1	920101536	CVEMYXNKFNZPIE-SFHVURJKSA-N	420.559	5.550	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2c(C)cccc12	920108540	GETWLQMTGSKABE-FQEVSTJZSA-N	424.456	5.803	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(F)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1	920113442	WQQSMZOITYLTLD-ZDUSSCGKSA-N	410.367	5.402	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc1-c1ccccc1	1556708172	PNRQEXPSBVEUFT-UHFFFAOYSA-N	401.466	5.064	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1	1787191630	FSDFWPNKIHFPRG-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1	1791593092	FGJBDZWOFRHFGC-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1824145043	QZGAABJCFNBWHD-QHCPKHFHSA-N	414.634	5.201	30	20	HKED	
C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1	1831860685	WTBIGSYPYBMUNS-FQEVSTJZSA-N	423.384	5.111	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2ccccc2c1=O	8282436	KUMFJPPGLJYKGT-KRWDZBQOSA-N	421.566	5.134	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N(C)Cc2cccc(C#N)c2)cc1OCC	25101840	WHVBHLBFSFRIDY-UHFFFAOYSA-N	400.906	5.061	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	41554327	NFMJYWFULLQFRF-CQSZACIVSA-N	405.376	5.162	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OC(F)F)c2)cc1	55823612	CBPYPLKYIXDJAL-UHFFFAOYSA-N	408.404	5.185	30	20	HKED	
COc1cc(CNCc2cccc(OCc3cccc(C#N)c3)c2)ccc1OC(F)F	60961024	ZEERFLHDDJSHHI-UHFFFAOYSA-N	424.447	5.037	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1F	195569446	UMPAUHYEVDDPQP-ZDUSSCGKSA-N	416.909	5.043	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(OC2CCCCC2)CC1	301125147	SSAIICWWHOYURH-UHFFFAOYSA-N	401.457	5.026	30	20	HKED	
C[C@H](Cc1cccs1)N(CCCC1(C#N)CCOCC1)Cc1ccc(Cl)cc1	410421949	UCJMUTKJKAVVGZ-LJQANCHMSA-N	417.018	5.935	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)s1	426162806	SZAOMVCTFIJDTA-HNNXBMFYSA-N	410.926	5.789	30	20	HKED	
C[C@@H](C1CC1)N(C(=O)c1cccc(SCC#N)c1)c1cccc(C(F)(F)F)c1	429925454	OGFYYVBJUVAAHV-AWEZNQCLSA-N	404.457	5.766	30	20	HKED	
C[C@@H](c1ccccc1)N1CC(=O)N([C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1=O	432080333	NZDVGZDABQBQSJ-OALUTQOASA-N	409.489	5.312	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	432860564	SWQAARBVDWPUTD-DIFFPNOSSA-N	411.424	5.344	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@H](C#N)CCc1ccccc1	433221946	SKFPXPRZEXZAKP-FQEVSTJZSA-N	412.493	5.350	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2NCc2cccnc2)cc1	434081883	TZYQTRHMTCOOAY-UHFFFAOYSA-N	420.472	5.610	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1	437401703	BKPAFWNZFAGANF-FOIQADDNSA-N	415.459	6.122	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(Br)c1)c1nc2ccccc2n1C(F)F	437404402	JMIPKGANKAMIHY-LBPRGKRZSA-N	424.632	5.337	30	20	HKED	
C=C[C@](C)(CCOC)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	438144757	YBPLPMWTOAGGQW-JOCHJYFZSA-N	411.889	5.243	30	20	HKED	
Cc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)C(C)(C)C	438147795	DHSBOHHLEHEUIC-RBBKRZOGSA-N	418.541	5.283	30	20	HKED	
CO[C@H](C)c1nc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1	438678620	JWGWWTKLTKBASF-OAHLLOKOSA-N	422.510	5.145	30	20	HKED	
CC(C)c1ncc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1	441620132	CTTVXXRBCKXDMZ-UHFFFAOYSA-N	419.460	5.067	30	20	HKED	
O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CCC(C(F)(F)F)CC1	446369928	OZMVIOOHMYLGJO-GFCCVEGCSA-N	406.729	5.066	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	464212010	RQRXLXYWDAWXNU-AOMKIAJQSA-N	401.441	5.108	30	20	HKED	
Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	465262069	HLGUOYNQULOPBN-AWEZNQCLSA-N	405.470	5.170	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Oc4ccccc4)ccn3)n2)cc1	466978320	YDCHXPHAODFDGG-HXUWFJFHSA-N	422.469	5.359	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)co2)cc1	467707121	VSHQOQBAFVUAIR-MRXNPFEDSA-N	406.511	5.224	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)s2)cc1OC	468766194	AXDKKBVSQDKGGK-UHFFFAOYSA-N	421.522	5.002	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1	471282423	JHMVZTHLJRFBIE-KRWDZBQOSA-N	416.550	5.461	30	20	HKED	
COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1Br	472885659	YOCJXZXHGIBOEU-UHFFFAOYSA-N	416.319	5.019	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1	475552087	QNOPTRDQVMAWJS-NRFANRHFSA-N	416.924	5.936	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1	475554219	XAIWRXGOTHYGRT-HXUWFJFHSA-N	405.542	5.421	30	20	HKED	
CC(C)CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCCc2cccnc21	480569810	XLERICOIAOHTTP-WIYYLYMNSA-N	422.598	6.043	30	20	HKED	
C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1C	481403992	SUUZYCBRJHKDBT-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC)c1ccc(F)c(F)c1	483288842	KFBPQDBOMMRFEC-FGZHOGPDSA-N	424.495	5.498	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C	483753745	GHIMMCNPLIUAEE-QHCPKHFHSA-N	419.525	5.168	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2ccco2)nn1C(C)C	483773829	NCLAFUJQEDVFQJ-UHFFFAOYSA-N	410.522	5.112	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3c(F)cccc3F)CC2)o1	485566421	VWQZZUSNIMMUFS-UHFFFAOYSA-N	422.431	5.028	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1	487086701	NWOZFVPMNUFXNT-UHFFFAOYSA-N	413.502	5.953	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3cccc(Cl)c3)o2)cc1	489787927	OVUBCBMOGCUQSF-ZDUSSCGKSA-N	400.887	5.318	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](COc4ccccc4)C3)cc2)cc1	506901631	VDHFKEOKBKDARA-HXUWFJFHSA-N	413.477	5.283	30	20	HKED	
COc1ccc(CN(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OCCCC#N	507354503	DCAPUGNQFSPYSX-INIZCTEOSA-N	406.448	5.590	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)cc1Br	507407296	VAZLMXDESAJRSY-AWEZNQCLSA-N	403.345	5.713	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)c(C)c1	508272606	IDUMOCCRLDFEKP-SFHVURJKSA-N	408.571	5.111	30	20	HKED	
CCc1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	511345134	YYKAGYSOBYKVCM-UHFFFAOYSA-N	413.521	5.558	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1	512728081	KYSDNNJAKYCWDV-HXUWFJFHSA-N	409.942	6.114	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H]1CCO[C@H](C(C)C)C1	514109696	SVOTYDUGLSUENC-CYFREDJKSA-N	408.517	5.380	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)s1	515715186	MTKCHYNRGMRLTF-UHFFFAOYSA-N	409.559	5.366	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3ccccc3)CCC2)cc1	516388224	NDUOKHBNNJVLTE-UHFFFAOYSA-N	412.558	5.702	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2Cl)c1	517397483	BRKVHFCDORGCGV-UHFFFAOYSA-N	401.853	5.524	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)[C@H](CC)c2ccccc2)cc1	521209137	SJNACYUCCMXCII-HSZRJFAPSA-N	405.542	5.506	30	20	HKED	
CC(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)(c1ccccc1)c1ccccc1	521965481	MDXIGELJLSZZQL-UHFFFAOYSA-N	424.544	5.371	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccco1)c1ccccc1C#N	523114950	FUXIIWPLDMPZSB-INIZCTEOSA-N	412.411	5.582	30	20	HKED	
C=C(C)COc1cccc(NCc2ccc(OCc3c(C)noc3C)c(OC)c2)c1	532726540	LIKVRQHCIKIRRL-UHFFFAOYSA-N	408.498	5.446	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1	533211784	AVDGWQKUZUEYAE-OAQYLSRUSA-N	413.569	5.450	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1c(C)noc1C	533855871	WMGDNLUJGDCESJ-OAQYLSRUSA-N	418.497	5.323	30	20	HKED	
C=C[C@H](CC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1)c1ccccc1	533885926	JPWLLIPQWXCOMQ-MRXNPFEDSA-N	409.917	5.087	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(OC4CCC4)cc3Cl)n2)cc1	536209567	ZBBDUEOLDHFROA-UHFFFAOYSA-N	409.898	5.519	30	20	HKED	
CSc1ccccc1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	537427727	XGVIOHQDCVVOIV-UHFFFAOYSA-N	402.519	5.235	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@H](C)C1	540359260	GXEYKDSQYAAQRD-CODAWKSHSA-N	400.526	5.574	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)s3)s2)n1	543878863	XORYHJKYHYIHDF-VIFPVBQESA-N	409.355	5.494	30	20	HKED	
C[C@]1(CCCO)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	544534749	MRRFNDMDVYNEEV-NFBKMPQASA-N	411.933	5.154	30	20	HKED	
Cc1nc(N2CCC(C#N)(c3ccccn3)CC2)c2cc(-c3ccccc3)sc2n1	548822099	DSNPJAYITQIPIB-UHFFFAOYSA-N	411.534	5.124	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](c3ccccc3)C3(CO)CCC3)c2)c1	552085995	UMGDCILMPPMQLU-AREMUKBSSA-N	412.533	5.131	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(-c2ccccc2OC)c1	558345126	SLBNRFLAKSZADW-UHFFFAOYSA-N	406.482	5.058	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nccn1-c1ccccc1	564200642	QLBQFISQKWUJMC-GOSISDBHSA-N	424.529	5.386	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccnc(-c2ccc(Cl)cc2)n1	569382032	AZPBLCSWSQATRF-UHFFFAOYSA-N	414.852	5.109	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1	582082187	AEGQBXVNGIGVTF-IBGZPJMESA-N	404.938	5.759	30	20	HKED	
COc1cc(C)cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C	588025793	VBYFXXPRSJFEQG-UHFFFAOYSA-N	411.933	5.082	30	20	HKED	
CCc1ccc([C@@H](C#N)N(C)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1	589829198	UBYFRKVBFBLRMJ-HXUWFJFHSA-N	407.901	5.213	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)nc3)c2C#N)C1	592996502	SYHPWXNXEYZYLG-GFCCVEGCSA-N	407.461	5.437	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OC)cc1	603692273	FRVODODPXNKYHB-NRFANRHFSA-N	402.454	5.027	30	20	HKED	
Cc1sc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c(C#N)c1C	603728980	YKVDPEBECFJRIF-UHFFFAOYSA-N	407.543	5.174	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	607305812	RWAZFJLVGKGSRP-VXGBXAGGSA-N	407.285	5.485	30	20	HKED	
CC[C@H](C)n1c(SC[C@H](C#N)CCC#N)nc2sc3c(c2c1=O)CCCCC3	608848394	QGXZBOPREJAVIV-GJZGRUSLSA-N	414.600	5.234	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sccc1-n1cccc1	608876258	HZEWQQWCXWFSRJ-UHFFFAOYSA-N	400.463	5.159	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cn1	609724872	SWJZAUAEPCFQNU-OAHLLOKOSA-N	408.889	5.272	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)c1cccs1	609753740	UOMNOVJCSVQKNU-JOCHJYFZSA-N	401.535	5.301	30	20	HKED	
Cc1oc2ncnc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)c2c1C	609814310	YELHYSPLDQMZNL-UHFFFAOYSA-N	418.840	5.409	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1F	610009834	RJERMZMXMLAQJA-LIRRHRJNSA-N	420.550	6.182	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(C)(C)C)cc2)cc1C	610200625	PQXMGOVZYRJGTC-UHFFFAOYSA-N	416.525	5.510	30	20	HKED	
C[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1	610350332	RKOLLZRSAFAHLW-QZTJIDSGSA-N	417.484	5.398	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(Cc2ccccc2)C1	610631276	HYYCEOOVAYSGAC-UHFFFAOYSA-N	411.505	5.152	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(Cc4ccccc4)c3C)n2)cc1	613318294	VONARJIGMVAPQD-FQEVSTJZSA-N	412.518	5.162	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)cc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613347046	VSZHXMRHKQDCAF-CQSZACIVSA-N	409.244	5.885	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOCC3(CCCC3)C2)cc1Cl	614138996	XJTAZELWRWRPAV-OAQYLSRUSA-N	423.944	5.420	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c(OC)cc1-c1ccccc1	614429916	VIFOZGDBCNIYBB-DEOSSOPVSA-N	400.478	5.123	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	616140756	PORJULHYPQMCFU-HXUWFJFHSA-N	401.510	5.119	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H]1CCc2cc(C#N)ccc21	619532581	WYMHPJIKEGOSKE-QGZVFWFLSA-N	412.276	5.246	30	20	HKED	
C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F	676874284	JXAAIBKYRYWUAH-VWYCJHECSA-N	403.313	5.048	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1	682803727	NTTWFUDYKRJNLF-IBGZPJMESA-N	419.594	6.003	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(C3SCCS3)c2)c1	726498579	ORNUEKABZTUSLU-UHFFFAOYSA-N	422.531	5.461	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCc3ccc(OCC#N)cc3)c2c1	727678892	NTOONBHHWFQVKJ-UHFFFAOYSA-N	407.473	5.043	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1	727954194	MGBJKXLVUQFMLS-VBKZILBWSA-N	407.901	5.225	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(C(C)(C)C)no1	728061999	GCRXNVVEXWQBRZ-AWEZNQCLSA-N	410.905	5.644	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C\C(=O)c2cc(Cl)sc2Cl)cc1	730948596	IPRUCCUUNVWXIH-UTCJRWHESA-N	423.273	5.821	30	20	HKED	
N#CCCSc1ccccc1NC(=S)NCCc1ccc(Cl)cc1Cl	730953371	WMTONYZSRJFZOT-UHFFFAOYSA-N	410.395	5.528	30	20	HKED	
CC(C)Oc1ccc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	731040057	ICOOITVKPYYYHO-KRWDZBQOSA-N	414.596	5.740	30	20	HKED	
CC(C)(C)n1cc(C=NNCc2ccc(F)c(F)c2)c(-c2ccccc2Cl)n1	731151940	SKAAXLLFYUKKEE-UHFFFAOYSA-N	402.876	5.360	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2ccc(OCC#N)cc2)n1Cc1ccco1	731156510	UBRYKNCJMOSYBB-UHFFFAOYSA-N	416.506	5.090	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)cn2)cc1	733031124	NMVPPNPFGUTGEJ-NRFANRHFSA-N	420.419	5.393	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)c1	733773976	KQBZHOUXEMQUIH-SKHCZCESSA-N	422.834	5.369	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1cc(Br)ccc1F)C(C)C)c1ccncc1	734678705	ASALDQUGQOJATR-LJQANCHMSA-N	420.326	5.221	30	20	HKED	
CC(C)(C)c1nnc(COC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)o1	735165572	MGJXMSCHAHLHPB-UHFFFAOYSA-N	411.845	5.041	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)N[C@@H]2CCOc3ccccc32)cc1	741496130	UEVMDLWYQMVBCK-HXUWFJFHSA-N	401.491	5.161	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccn1	742653285	JCBKKTWTJWGCCL-KRWDZBQOSA-N	403.507	5.307	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccccc1Cl	743103513	VFEKTHJXQZNGAA-QFIPXVFZSA-N	421.884	5.162	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3nc(S)oc3c2)cc1Cl	746127359	BDDOPMVSZKKTCI-QGZVFWFLSA-N	419.893	5.678	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1OC	746339711	CCPFNAXFZPHUDZ-YLKKANDBSA-N	414.505	5.213	30	20	HKED	
CC(C)(C)c1nc(C#N)c(NN=Cc2sc(Nc3ccccc3)nc2Cl)o1	746498028	QISICFYZFUUKBH-UHFFFAOYSA-N	400.895	5.143	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cs1	746753701	FUNWUMSMEMHIDP-UHFFFAOYSA-N	412.470	5.577	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2coc3ccccc23)cs1)c1ccc(F)cc1F	747706302	UHWAGOPNFYMJLR-CLFYSBASSA-N	424.428	5.748	30	20	HKED	
C[C@H](O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	749347845	BZRHAUCZCVSBFJ-AOMKIAJQSA-N	419.912	5.370	30	20	HKED	
CCCc1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cnn1-c1ccc(C)cc1	761555949	KIPQCXJLTAUCMD-UHFFFAOYSA-N	409.946	5.467	30	20	HKED	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	762996303	RKZISDBHGHCVLY-RIEGTJTDSA-N	407.322	5.298	30	20	HKED	
N#Cc1cc(NC(=O)c2csc(-c3ccccc3Cl)n2)c(Cl)c([N+](=O)[O-])c1	764310441	JOJHDRDRSNSZSV-UHFFFAOYSA-N	419.249	5.149	30	20	HKED	
Cc1ccc(-n2c(SC[C@@H](O)c3ccc(C#N)cc3)nnc2-c2cccs2)cc1	764678731	NBXOURUVCQLNFT-LJQANCHMSA-N	418.547	5.002	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	766275782	PROXGSXDHCNWCJ-IBGZPJMESA-N	422.937	6.001	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	767868918	GRFHMTDWIAETTE-NRFANRHFSA-N	403.869	5.206	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Cl)c1F	773983407	KFIABBQNDRAUPV-LLVKDONJSA-N	405.807	5.378	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1	774023805	PTEKPHANDNOFRO-JXALWOEJSA-N	403.526	5.013	30	20	HKED	
N#C[C@H](OC(=O)c1csc(-c2ccc(Br)s2)n1)C1CCCCC1	776387948	VVIULJDLVSBKSD-LBPRGKRZSA-N	411.346	5.263	30	20	HKED	
N#C[C@@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1	778607765	QTPSQJQMJDEWLT-INIZCTEOSA-N	414.889	5.708	30	20	HKED	
CC(C)CCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCCC1	783399207	RSGFTLWHYLGSEZ-XMMPIXPASA-N	417.553	5.098	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1	785678901	RDMOCMQJUZEALB-PKTZIBPZSA-N	419.912	5.505	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl	789718268	FSZABKVDGKHSPQ-UHFFFAOYSA-N	421.972	6.306	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br	789891474	XMFIEDSJBOLEFQ-UHFFFAOYSA-N	421.266	5.601	30	20	HKED	
N#C[C@@H](C(=O)C12CC(c3ccccc3)(C1)C2)c1nc2cc(C(F)(F)F)ccc2s1	791780513	WHYAIDDSAUHNRI-VUZGARFFSA-N	412.436	5.613	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=S)NCCCCC(F)(F)F)c2)c1	794973441	PYBHOTINOLNPDH-UHFFFAOYSA-N	407.461	5.156	30	20	HKED	
N#Cc1c(N)sc2c1CCN(c1ncnc3cc(-c4ccc(Cl)cc4)sc13)C2	796504772	MAXHVWUUEFPCHE-UHFFFAOYSA-N	423.954	5.090	30	20	HKED	
COc1cc(COC(=O)C[C@@H](CC#N)c2ccccc2)cc(Cl)c1OC(F)F	796556110	HCOXEPUYGXTOOE-OAHLLOKOSA-N	409.816	5.081	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1Cc2ccc(F)cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1	796643769	PUQGTIJWOQZXJN-CVEARBPZSA-N	417.292	5.772	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C2(Cc3ccccc3Br)CC2)n1	796946312	HUBMWKWWSUSLLI-CQSZACIVSA-N	403.345	5.228	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/c2cc(Cl)n3c(nc4ccccc43)c2C#N)cs1	797174243	CQEYCSIZLZEHIK-CMDGGOBGSA-N	421.913	5.012	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	799954041	HUSCAZMABXWZDT-UHFFFAOYSA-N	420.396	5.277	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cl)c3ncccc23)cc1	802041818	GJLLNHIIVSSLFL-IFXJQAMLSA-N	405.885	5.363	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1	806349178	LIXJLNRZOIPGCN-JOCHJYFZSA-N	419.456	5.038	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](c3ccc(CC)cc3)C2)c1=S	814225270	QHWKKSHYRREDNC-QFIPXVFZSA-N	419.598	5.062	30	20	HKED	
CC(=NN(Cc1ccccc1)c1ccccc1)c1sc2nc(C)nc(C)c2c1C	863950628	FIUZWNCQXUQGNE-UHFFFAOYSA-N	400.551	6.047	30	20	HKED	
C=CCc1cc(CNc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc(OC)c1O	864042876	YMPOINKRVDTBKZ-LEWJYISDSA-N	424.541	5.122	30	20	HKED	
N#C[C@H](CCc1ccccc1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	904508211	RYGBVXQWRHOGMO-KRWDZBQOSA-N	400.413	5.303	30	20	HKED	
O=C(Nc1cccc(C=NNc2cncc(Cl)n2)c1)c1ccc(Cl)cc1Cl	914559545	FVZYBRWEBQJNLG-UHFFFAOYSA-N	420.687	5.135	30	20	HKED	
FC(F)(F)c1cccnc1NN=Cc1cc(Cl)ccc1OCc1cccnc1	915050490	SDRDKQJQBQSCGH-UHFFFAOYSA-N	406.795	5.174	30	20	HKED	
Cc1[nH]c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1C(=O)OC(C)C	915086215	IQQCDORKKPAKNM-OAQYLSRUSA-N	415.493	5.105	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccc3ccccc3c2)cc1	915350302	QIFSNSYAUYCCRF-AREMUKBSSA-N	421.500	5.696	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)COc2ccc(-c3ccccc3)cc2Cl)nc2ccccc21	916843445	HRUFYYZYVZGIEI-SFHVURJKSA-N	415.880	5.149	30	20	HKED	
C[C@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2C1	916883765	ONNJNVYJQBPKTA-XHDPSFHLSA-N	420.506	5.149	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(C)o3)n2)cc1	916915907	RRLCVJXGRJMIBX-KRWDZBQOSA-N	407.495	5.015	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(Oc2ccccc2)c1	916916408	YYAGDYYZOIGCLI-HSZRJFAPSA-N	406.441	5.593	30	20	HKED	
CCCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916927912	FJXKPKJNMDIGLS-KRWDZBQOSA-N	419.308	5.524	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCC1)c1nc(-c2ccc(Cl)cc2)cs1	916976448	OKHVGUSUQJFJJB-GOSISDBHSA-N	410.901	5.901	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	917803076	FJWXYPLSUHDUPN-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1	1789155180	ZFNPINNMQFALTJ-LEWJYISDSA-N	408.929	5.154	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccccc2F)cc1	11169744	FRQYOARZEWPMRH-UHFFFAOYSA-O	419.954	5.441	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1	14908479	IMZPEZPIZJXFCD-UHFFFAOYSA-N	421.566	5.132	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2cc(=O)oc3c(C)c(C)ccc23)n1	21514921	PUJFKRLTTBESIF-UHFFFAOYSA-N	404.413	5.296	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(N3CCCCC3)n2C2CC2)cc1	22417519	MPRAHAKOMCZELZ-UHFFFAOYSA-N	415.566	5.434	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(CC)cc1)[n+]1ccc(Cc2ccccc2)cc1	22805992	PIZWCCABVMBOMK-UHFFFAOYSA-O	417.598	5.066	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c(C)[nH]1	23603235	VRKPODUMECULFD-UHFFFAOYSA-O	419.357	5.277	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1ccoc1C	28963757	HIZFSVVBJDGQRA-UHFFFAOYSA-N	412.902	5.633	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	48161908	AMOSSYRLUJTRFS-FQEVSTJZSA-N	413.521	5.865	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)o1	59367983	ZGRWFLPVIGMCHN-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1	63641454	IHNLFRSKGFXORY-DEOSSOPVSA-N	415.468	5.230	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nc3ccccc3s2)cc1	65028778	VSEVMNOWQGFJIP-UHFFFAOYSA-N	416.481	5.541	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1	410048522	LEQSEXQSHOYLDP-UHFFFAOYSA-N	414.465	5.059	30	20	HKED	
Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(OC[C@H]2CCCO2)c1	429886815	JYSXYDTYWDWHLO-QGZVFWFLSA-N	406.507	5.200	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	432215170	XBGFOVVJKYYDTL-IBGZPJMESA-N	401.491	5.349	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccccc1CN1CCc2ccccc21)c1ccccc1	432907579	QWOIQMVLXASHAT-DEOSSOPVSA-N	424.548	5.806	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	433008838	FEAKTKQAOQEUQT-SFHVURJKSA-N	409.839	5.322	30	20	HKED	
Cc1ccccc1CN(Cc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1	435136283	AAJIGXSVUBQBQX-UHFFFAOYSA-N	421.548	5.370	30	20	HKED	
CCC(=O)c1ccc(O)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	436832794	KKBMJODTLXWCDA-UHFFFAOYSA-N	402.475	5.260	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1	437846826	YOQRKGMUYPGVMN-DNQXCXABSA-N	422.488	5.654	30	20	HKED	
N#Cc1ccc(NC(=O)Nc2cccc(COCc3ccco3)c2)cc1C(F)(F)F	438640616	IIQFYBYXICOIEC-UHFFFAOYSA-N	415.371	5.531	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2ccc(Cl)cc2F)cc1C	439182394	SBAVGAFNCZAFOX-UHFFFAOYSA-N	410.880	5.150	30	20	HKED	
CCCc1c(NC(=O)N2CCC(c3ccccc3)CC2)cnn1-c1cccc(C#N)c1	439663629	SHVRJZYPUYLAPI-UHFFFAOYSA-N	413.525	5.108	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	442684061	WRDUNPZUXYAQOB-LBPRGKRZSA-N	421.245	5.066	30	20	HKED	
C=CC[C@H]1N(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CCCC1(C)C	443858411	KITBEMIODCZAMF-MRXNPFEDSA-N	405.951	5.075	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F	444912825	NIIPTVUIGQNALV-ZDUSSCGKSA-N	400.681	5.322	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccsc1Cl	446467259	SCQQOPPZMJZKHM-UHFFFAOYSA-N	403.704	5.523	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)CNc2ccccc2SCCC#N)cc1	446622455	DPIPWQMXTUUCSP-QFIPXVFZSA-N	423.582	5.257	30	20	HKED	
Cc1cc(C[C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)n(-c2ccccc2)n1	448168551	GWIURLAZIRYADJ-IBGZPJMESA-N	420.516	5.080	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnn(CCCC)c1C	448299568	VQQUDKQYZVVCOH-UHFFFAOYSA-N	423.330	5.113	30	20	HKED	
C=CCN(C(=O)c1ccnc(N2CCC[C@H](C)C2)c1)c1nc(-c2ccccc2)cs1	463109319	QLIJPXKSMCUOGW-SFHVURJKSA-N	418.566	5.274	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1OCC(F)(F)F	463261486	FFMCPZDOEBTNCT-UHFFFAOYSA-N	419.472	5.288	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3SCCc4ccccc43)c2)c1	463392138	LWTRUOXEOMPUPE-QHCPKHFHSA-N	400.503	5.106	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@]2(CCCOC2)C1	473619843	NBWMDKNRJKUGAJ-DEOSSOPVSA-N	405.498	5.084	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1	473799649	URNHCPANHQLKDQ-UHFFFAOYSA-N	422.941	5.834	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2COc3ccc(Cl)cc32)cc1	475526195	MCUNRSUMYHDVIB-FQEVSTJZSA-N	420.921	5.367	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Br	476084286	LYGJYUMXBHOWRS-UHFFFAOYSA-N	403.276	5.462	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(OC2CCC(C)CC2)CC1)c1ccc(F)c(F)c1	477725873	KIVUBOJVDMRHLR-CWZMJNCASA-N	406.517	5.351	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccs3)oc2C)nnc1-c1cccs1	481402611	NRVWUTHAQRORQV-UHFFFAOYSA-N	400.554	5.510	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccco1)c1ccccc1C#N	482155230	SFLMAUJGGWBQBN-CQSZACIVSA-N	415.276	5.459	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)oc2ccc(Br)cc12	483235237	NHOHDJCELUCLHV-QGZVFWFLSA-N	405.251	5.542	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1nc2ccccc2s1	483439947	LTMLERLPKMGLFY-MRXNPFEDSA-N	418.424	5.296	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(C(F)(F)F)nn2)cc1Cl	484138751	FJUZRWBKMOTWPB-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
C[C@H](C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(C#N)c1	485922355	FYKJCNOYEXOGOX-HNNXBMFYSA-N	418.884	5.598	30	20	HKED	
N#CCCC[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccccc1	487577699	VABDEJSHKVJPND-HNNXBMFYSA-N	409.338	5.569	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl	488177414	HSLIYYWNTRNXIY-HNNXBMFYSA-N	409.361	5.620	30	20	HKED	
C=CC1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1	496330271	OJXKZJIWWWRFNH-UHFFFAOYSA-N	420.460	5.054	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCO[C@H]1CCCc2ccccc21	497420472	XEZAWIFJKPPINK-DEOSSOPVSA-N	424.589	5.036	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1	497526218	RNKSSVNFFGEXNF-UHFFFAOYSA-N	424.529	5.171	30	20	HKED	
C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccccc1Sc1ccccc1C#N	501018855	ICRCEDBOGJMVGP-HNNXBMFYSA-N	424.472	5.185	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	505448568	BPSWTWZUMSJYEL-OAHLLOKOSA-N	402.306	5.671	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c(Br)s1	505515844	WSYQZWFGWLNTLW-LLVKDONJSA-N	404.116	5.121	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21	506241908	QGYIIXQBXSHDST-XMMPIXPASA-N	410.521	5.344	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ncc(C(C)(C)C)o1	509568881	KRDVLXNAXZEJOR-UHFFFAOYSA-N	403.482	5.516	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(CC(C)C)c3C3CC3)n2)cc1	509902623	WLPILSDKLAIDBC-GOSISDBHSA-N	404.539	5.339	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2)C2CC2)cc1	511416937	VQFSVLLADASJOK-UHFFFAOYSA-N	411.505	5.528	30	20	HKED	
C[C@@H](N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(C#N)cc1F	512633667	AOZISROBWWWZGH-MWTRTKDXSA-N	402.448	5.278	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)cc1	513748945	MFOMPNOIADDMRO-JTSKRJEESA-N	408.498	5.139	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(-c2ccccc2)n1	515690349	QEDMQOYFOKEUFE-UHFFFAOYSA-N	401.516	5.591	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1	515796591	WKLLCAKGXILCFN-UHFFFAOYSA-N	411.521	5.308	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CCc2ccccc2)CC1	518683219	MWFXQQWNFGJULQ-IBGZPJMESA-N	407.583	5.815	30	20	HKED	
CCN(c1ccccc1F)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	519891448	ZMNVVJLDSADFIH-UHFFFAOYSA-N	415.330	5.079	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	520801470	AXONACGXENCRQX-NSHDSACASA-N	401.340	5.046	30	20	HKED	
CCOc1ccc(-n2c(S[C@H](C#N)C3CCCCC3)nnc2-c2ccncc2)cc1	524535832	VSGKBEQXSOXJCK-OAQYLSRUSA-N	419.554	5.293	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(N3CCCCCC3)c2)c1	525383440	KIOQLXYOUIAJLY-UHFFFAOYSA-N	415.493	5.363	30	20	HKED	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)Cc1ccc(C#N)cc1F)CCO2	525635264	PLTRLWAFCXFIRT-XMMPIXPASA-N	402.469	5.232	30	20	HKED	
CCSc1ccccc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	534329754	DZTFXYPWVCKFJL-JOCHJYFZSA-N	402.519	5.372	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3csc([C@H]4CCCO4)n3)c2C#N)C1	534463977	QAPHWBQITLPBQV-MLGOLLRUSA-N	415.584	5.331	30	20	HKED	
C=CC1CCN(Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)CC1	534472988	LEMBIDUFNZYKCR-UHFFFAOYSA-N	409.477	5.245	30	20	HKED	
Cc1ncc(-c2ccccc2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	535523373	CUTNWVSEVAYFIU-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1F	535622165	BLGDDXNXNXKBOT-UHFFFAOYSA-N	411.273	5.047	30	20	HKED	
CC(C)COc1ncccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	537666624	WKYLKSACNDQPBK-CQSZACIVSA-N	413.449	5.008	30	20	HKED	
CC(C)NC(=O)Nc1ccc([C@H](C)NC2CCC(Oc3ccccc3C#N)CC2)cc1	540178581	JDDVIOXUHJKGOG-RHKCVOJBSA-N	420.557	5.129	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	540252098	KJIQJJHVZGZMIP-GOTSBHOMSA-N	420.871	5.278	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1OC	542017113	JLFJHPLIRSEANU-KRWDZBQOSA-N	402.494	5.102	30	20	HKED	
Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542068413	NCBBWMSKRZWLEF-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(CNc4ccncn4)c3)cc2)cc1	542611359	MVEJPLPFIDIDDU-UHFFFAOYSA-N	421.460	5.005	30	20	HKED	
N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)CC1	542913790	KVZYPHDZDNMLGN-FBMGVBCBSA-N	413.546	5.549	30	20	HKED	
CSc1cccc([C@@H](NC(=O)N2CCC(CC#N)CC2)c2cc(F)ccc2F)c1	543824736	OSUXBQDUGQNORK-OAQYLSRUSA-N	415.509	5.111	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC=C(c2ccccc2F)C1	543852515	SOTAZBKTNJEWMQ-UHFFFAOYSA-N	413.452	5.729	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)Nc4ccc(C#N)cc4OC)CC3)c[nH]c12	547418084	XRZNAIQRVUZRBF-UHFFFAOYSA-N	402.498	5.022	30	20	HKED	
COc1cc(CN2CCC(CC(F)(F)F)CC2)ccc1OCc1cccc(C#N)c1	551406818	NDHVVSZUSPTDQV-UHFFFAOYSA-N	418.459	5.310	30	20	HKED	
Cc1ccc2c(c1)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CCO2	554413854	BINQVFXFENXTED-UHFFFAOYSA-N	413.477	5.394	30	20	HKED	
N#Cc1cc(-c2nc(C3(c4ccccc4F)CCCC3)no2)cnc1C(F)(F)F	556329591	AERWTTFPQOTAEZ-UHFFFAOYSA-N	402.351	5.021	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CSc2cc(Cl)ccc2Cl)c1	563680369	QUDCTJFKYYKXEA-UHFFFAOYSA-N	403.237	5.197	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc(COCc2ccc(OC)cc2)no1	564240307	NZIPGMJCNUUMLT-UHFFFAOYSA-N	420.387	5.046	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CCCc3nc4ccccc4s3)cc2)ccn1	564520920	KNQILZRCUIYHEZ-UHFFFAOYSA-N	414.490	5.317	30	20	HKED	
CCO[C@@H](c1noc(/C=C/c2cccc(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	583719408	LCAZSMQCXCKSNY-MBNRZODZSA-N	417.362	5.395	30	20	HKED	
N#Cc1c(NC(=O)CCc2nc3ccccc3s2)sc2c1-c1ccccc1CC2	603992380	UBNBLNQZFJAONA-UHFFFAOYSA-N	415.543	5.566	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCCc3c[nH]c4ccccc34)c2)c1	603995959	YNSMSRKWSDXCIK-UHFFFAOYSA-N	422.488	5.253	30	20	HKED	
N#Cc1cccc(OCCSCc2csc(COc3ccc(F)cc3)n2)c1	604063063	QDWRBDRWSCJJJF-UHFFFAOYSA-N	400.500	5.045	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1C	604444037	NGODOXGSNNKTAV-QHCPKHFHSA-N	412.493	5.731	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)c1	607490437	XKEXAHDAYGSILM-UHFFFAOYSA-N	400.906	5.532	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1	607699193	QMJJCUZDZHFJCI-VBKZILBWSA-N	423.406	5.012	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1	608804330	ZZSOHMDWIYLGKX-UHFFFAOYSA-N	408.498	5.023	30	20	HKED	
N#CC1(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CCCCC1	608984889	HEYXPCLMYILHFX-LJQANCHMSA-N	405.929	5.543	30	20	HKED	
CCCN(C(=O)NCc1ccc(C#N)cc1F)[C@H](C)c1ccccc1Br	609253797	LELBAOZIIXIRTM-CQSZACIVSA-N	418.310	5.143	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1Cc2ccccc2S1	609378685	ZYSIKHGQVDJUSO-KRWDZBQOSA-N	408.470	5.367	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1	609435252	ASRHCTUZOURGLM-KGLIPLIRSA-N	407.461	5.982	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1C(F)(F)F	609438228	GOXHJJRSPFLLLW-KGLIPLIRSA-N	407.461	5.982	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609498858	QLNBHJBVXWANHR-MRXNPFEDSA-N	406.432	5.656	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	610093804	WKLHTWZMQNZYMZ-PGRDOPGGSA-N	424.957	5.899	30	20	HKED	
C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccccc1C(F)(F)F	610224336	ZXUBMPMHAATXEH-CYBMUJFWSA-N	414.349	5.272	30	20	HKED	
C[C@H](NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cccc(C#N)c1	610362789	HGSCGMNBHCTHBV-NYHFZMIOSA-N	408.860	5.348	30	20	HKED	
COc1cccc(-c2nnc(SCc3ccc(C#N)cc3C)n2Cc2ccco2)c1	614398097	HCUZQYQMNLAQPA-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
Cc1ccnc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12	671751399	ITCQNMFZAVYEFL-OAHLLOKOSA-N	411.408	5.662	30	20	HKED	
Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cc(F)ccc12	672770700	GDCVRKQMLUDKRZ-AOOOYVTPSA-N	413.358	5.552	30	20	HKED	
C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	674444193	GIHJAAIVSBQPTQ-WQAKAFBOSA-N	421.303	5.398	30	20	HKED	
O=C(Nc1cc(F)ccc1OC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675374829	VPWMOPMVZLUHDV-HTQZYQBOSA-N	424.263	5.022	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cccs1	685540833	ORJHWBJFBDMWJE-QGZVFWFLSA-N	400.935	5.100	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1Cl	726475564	QSUZVWYHPKJAIX-HNNXBMFYSA-N	422.337	5.232	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	727038527	KWGRACQWMLQIQQ-INIZCTEOSA-N	405.504	5.254	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SCc1ccccc1	727222367	BXWCRJBOEXMOMV-UHFFFAOYSA-N	415.562	6.293	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)c1	728482263	XCEUPPGZNMEGID-UHFFFAOYSA-N	418.543	5.748	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCc1ccccc1)C1CC1	728742044	XJQUIPVFYWDFTP-UHFFFAOYSA-N	411.505	5.898	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1ccsc1)c1ccccc1)c1nc2ccccc2s1	728927609	VCSUFUPHKJSSQW-GOSISDBHSA-N	403.532	5.241	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@H](c2cccc(F)c2)c2ccccn2)cc1OC	729193385	LIDBKKCWYWPFGB-BMGIKKBBSA-N	419.452	5.140	30	20	HKED	
N#CCOc1ccc(CNCc2sc(Sc3ccccc3)nc2Cl)cc1	729685336	JSERTFKPNIGIHJ-UHFFFAOYSA-N	401.944	5.140	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1F	730481420	JIXMUJIQEKGERY-UHFFFAOYSA-N	413.449	5.108	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	731287994	MICVXFABZLCAAN-OTWHNJEPSA-N	423.299	5.598	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)N[C@H](C)c1ccc(Cl)cc1Cl	731320511	KLRFEQGFVNMEJU-QWHCGFSZSA-N	424.422	6.435	30	20	HKED	
CC(C)n1ncc2cc(/C=C3\CSc4c(Cl)cccc4C3=O)c(Cl)nc21	731939822	UTNAYTZBLOXIBI-NTUHNPAUSA-N	404.322	5.691	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(COc2cccc(F)c2)c1	734079974	ZUGSIPCMZPOLQK-NRFANRHFSA-N	422.843	5.019	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)SCc2cc(Cl)ccc2OCC#N)cc1	735318685	NTXOLIOIVJYOQA-CYBMUJFWSA-N	406.960	5.225	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccccc2F)CC1)c1nc2cc(C(F)(F)F)ccc2s1	737323196	QGXJIENFGGRTNP-LBPRGKRZSA-N	404.388	5.362	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1	742886981	IZJDMFJSQWLGIM-INIZCTEOSA-N	418.497	5.003	30	20	HKED	
COc1c(O)cccc1/C=C/C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743056552	YNZVXHMJPKNMNL-RMKNXTFCSA-N	403.265	5.098	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(OC)c(Cl)c3)o2)cc1	744033773	XHZCMWLKJUPILI-KRWDZBQOSA-N	422.868	5.132	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2s1	744935832	GDMGZYYKONTIFA-XMSQKQJNSA-N	418.905	5.946	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c[nH]c4cc(C)ccc34)n2)cc1	745949733	WKJPGMSWNNTLIO-HXUWFJFHSA-N	415.518	5.418	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ccc(F)c(F)c3)n2)cc1	756243754	MVKSFADYFKDMII-QGZVFWFLSA-N	407.445	5.159	30	20	HKED	
C#CCN(C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)C1CCCC1	757177280	XARAVFOQJORSHA-UHFFFAOYSA-N	418.921	5.119	30	20	HKED	
C#CCCCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	758631866	QDVUOQMRAKUIPL-UKHBAXEESA-N	409.414	5.028	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1	767883564	MUXIWZQRBWYLPD-QZTJIDSGSA-N	419.550	5.679	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)N(CC)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	768116612	FSBVZKOQFBCRSP-FGZHOGPDSA-N	417.500	5.269	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	768175489	QXCGIZFSXFIRPD-INIZCTEOSA-N	419.699	5.136	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Cl)c1F	773983408	KFIABBQNDRAUPV-NSHDSACASA-N	405.807	5.378	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(Cl)cn4)c23)cc1	774342829	NSPIGXLUZNSCJF-UHFFFAOYSA-N	409.902	5.251	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3cc(Cl)ccc32)ccc1OC	775411931	YKZHHBBPTIMQRH-IEBWSBKVSA-N	400.906	5.033	30	20	HKED	
CC(C)c1cccc(-c2ccc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)o2)c1	776488347	SZVCUVINDVHNFX-DEOSSOPVSA-N	400.478	5.155	30	20	HKED	
N#C[C@H](COC(=O)c1csc(-c2cccc3ccccc23)n1)Cc1cccs1	778326524	XVUYCPOEBALZHP-OAHLLOKOSA-N	404.516	5.564	30	20	HKED	
C=CCC[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1	778613823	JNALSQZPMZRNES-SFTDATJTSA-N	402.519	5.745	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Br)c1Cl)c1cccc(Cl)c1Cl	780022813	HSYWBYITHSIZBS-LBPRGKRZSA-N	418.505	5.404	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1	780674562	FRPXOFPGBMGCNK-OAHLLOKOSA-N	417.431	5.240	30	20	HKED	
C/C(=C/C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc([N+](=O)[O-])cc1	783896004	XHHSLQZLGUNYTA-SQFISAMPSA-N	414.421	5.004	30	20	HKED	
C#CCC1(C(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)CCCCC1	788216447	TUZMLNCODFTBFY-UHFFFAOYSA-N	424.566	5.462	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1csc2ccc(Br)cc12	791698214	OPTIGHBRYYAERD-LBPRGKRZSA-N	415.312	5.136	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)[C@H]3OCCc4sccc43)n2)cc1	796776384	WKDSPSVTVLBJTR-QKAVXHIFSA-N	424.547	5.007	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2F)cc1C#N	799243320	WPJWOWHGYYHMGA-UHFFFAOYSA-N	411.220	5.217	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	799891942	IKRQXRQVEUSYHH-QFIPXVFZSA-N	400.434	5.130	30	20	HKED	
C[C@H](OC(=O)c1cc(C#N)ccc1Cl)c1nc(-c2cccc(C(F)(F)F)c2)no1	803833354	TXPSPQLXDDPIKX-JTQLQIEISA-N	421.762	5.198	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Cc2cncc3ccccc23)cc1	805856133	RTKBADIDZIOKBP-UUOWRZLLSA-N	413.521	5.104	30	20	HKED	
CC(/C=C\C(=O)c1ccc(C(F)(F)F)nc1O)=C/c1cccc(C(F)(F)F)c1	806571105	DCTUHQAEEICGDM-CXHWBCNXSA-N	401.306	5.667	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3ccccc3)CC2)c1=S	887559238	GFKBUXRJSXLUJO-UHFFFAOYSA-N	420.582	5.113	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1	915352266	JAYDUYZJACHOJE-SANMLTNESA-N	409.533	5.829	30	20	HKED	
Cc1ccc(SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917044204	RCSQRFKPIIIYPB-CQSZACIVSA-N	406.454	5.592	30	20	HKED	
COc1ccc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1	917562184	USZNHCFFMBWFOX-XFFZJAGNSA-N	422.506	5.049	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1	1786465191	LILILUGGZFJYFM-VQIMIIECSA-N	404.501	5.158	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)CC4)cc2)CCC1	1788496603	ORFAOKSOSCUJQU-UHFFFAOYSA-N	418.537	5.114	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)C1	1828006157	LNXGZXOXQXJCEQ-RUZDIDTESA-N	416.565	5.039	30	20	HKED	
C=CCn1c(S[C@@H]2CCCCC2=O)nc2sc(-c3ccccc3)c(C)c2c1=O	7575936	BWBGDQYMHBPWIE-QGZVFWFLSA-N	410.564	5.223	30	20	HKED	
C=CCn1c(SCc2cc(C)on2)nc2sc(-c3ccccc3)c(C)c2c1=O	7672005	XNTNXZVONYMXNO-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1cccs1	10303583	BMCOLHPDXFNESO-CYBMUJFWSA-N	416.597	5.034	30	20	HKED	
CN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1	22734185	TXEJARRQAVIRKD-UHFFFAOYSA-O	417.598	5.021	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	25847502	OOMWYNQGQHGNAR-UHFFFAOYSA-N	406.489	5.121	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cccc1[N+](=O)[O-]	41548936	UPGWKKULDPCTBB-LBPRGKRZSA-N	405.357	5.022	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2ccccc2[nH]1	46441070	HWIKARFKTAQMMH-GFCCVEGCSA-N	400.488	5.391	30	20	HKED	
COc1ccccc1CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47570337	IWMZAHIFODGWCX-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccc(F)c2)CCC1	49723949	JEBGIRVBLGZLHM-UHFFFAOYSA-N	401.441	5.254	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(F)c(Br)c1	59802282	DOPDRBXIKWMYAS-UHFFFAOYSA-N	423.285	5.099	30	20	HKED	
O/C(=N\c1nc(-c2ccc(Br)cc2)n[nH]1)c1cc(Cl)ccc1Cl	63497510	WECQZBGSSWKXOG-UHFFFAOYSA-N	412.074	5.177	30	20	HKED	
N#Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1C(F)(F)F	78721829	WJTBANUUONUBAJ-UHFFFAOYSA-N	419.410	5.437	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2-n2cccn2)cc1Cl	117249684	JIZLGMJXDIYXGL-OAQYLSRUSA-N	412.880	5.433	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NCc3cccc(OCCCC#N)c3)s2)cc1	237477540	ATLGJYCJAYHFQS-KRWDZBQOSA-N	421.566	5.661	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccc(Cl)s1	303376995	LOYLZFGPIGLTIY-AWEZNQCLSA-N	407.992	5.114	30	20	HKED	
CCc1cccc2c(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c[nH]c12	303435836	XWKBHPIEXYQWQA-UHFFFAOYSA-N	423.516	5.557	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C	409852739	KJXRBYMRKSDTLN-HNNXBMFYSA-N	406.511	5.272	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c(Cl)c1	426151089	BVGUSJBXRIKOJY-UHFFFAOYSA-N	410.905	5.052	30	20	HKED	
CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2sc3ccc(C#N)cc3c2C)n1	426606056	STPIZKJJTRRGCF-HSZRJFAPSA-N	416.506	5.187	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnc3ccccc3c2C(F)(F)F)s1	430616154	FBSJMLMEGZKWTN-GFCCVEGCSA-N	403.429	5.498	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCCOCc1ccc(Cl)cc1Cl)c1ccccc1	431465610	PGPHWJRFYXFGKO-HXUWFJFHSA-N	420.340	5.244	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	431677908	XVISXVBEEORHDV-IEBWSBKVSA-N	418.006	5.152	30	20	HKED	
Cc1cccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	432921867	HGBFCDPSEAUHAI-UHFFFAOYSA-N	413.521	5.612	30	20	HKED	
CCCCn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	435069042	XEBHLOMIZHPBMG-FQEVSTJZSA-N	406.917	5.553	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCCCNc2ccccc2)cc1F	438666158	PLDJSZMIYBWDDA-UHFFFAOYSA-N	404.445	5.113	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@@H](CCC#N)c1ccccc1	439383648	GZCJSZOWHFJQJR-NRFANRHFSA-N	415.541	5.645	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cnccc3-c3cccc(F)c3)c2)c1	439665198	KKXIDOXOBDOIMV-UHFFFAOYSA-N	423.447	5.591	30	20	HKED	
Cc1nc(-c2ccc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc2)cs1	441289951	NTINNWSLQRWAPH-UHFFFAOYSA-N	405.567	5.443	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)c1csc(-c2cccs2)n1	443419455	QHNWGFWHNNVOGV-UHFFFAOYSA-N	407.564	5.236	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1ccc(Br)s1)c1nc2c(s1)CCCC2	443796297	AKPFYNXXMZBGAV-NSHDSACASA-N	411.390	5.169	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12	444229249	VUQWDZHUEDOOKK-AOMKIAJQSA-N	409.917	5.104	30	20	HKED	
Cc1ccc(CN2CCCC2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	444334370	GWIQGYKJXLLPMD-UHFFFAOYSA-N	400.526	5.102	30	20	HKED	
C=CCC[C@H](NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C(F)(F)F)cc1	444684982	PHWBBIATSBGQPI-INIZCTEOSA-N	404.392	5.287	30	20	HKED	
C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)CCCC1(C)C	444790044	HBIXGYSBVCFHNX-QFIPXVFZSA-N	411.615	6.011	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(C[C@@H]3CCCO3)C3CCCC3)cc2)cc1	460474170	VDMMZAMCRRQMKK-DEOSSOPVSA-N	404.510	5.109	30	20	HKED	
CCc1nc2ccccc2n1Cc1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1	460748477	MBHCGUBFCQZUJN-SEYXRHQNSA-N	422.492	5.069	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)c1ccc(Br)s1	463744549	JNXIAXRYUWLJNS-RYUDHWBXSA-N	409.374	5.505	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccccc1OC(F)(F)F	465256714	QGYXDPJMKNZIOL-CQSZACIVSA-N	423.460	5.201	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)NCc2cc(C#N)ccc2F)c2cccs2)cc1	465618895	MTLKTKZLQRBLBF-JOCHJYFZSA-N	407.514	5.471	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c1	466298304	PVRMEBMGKDWLPM-SFHVURJKSA-N	419.319	5.181	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2cc(F)ccc2C#N)n1Cc1ccco1	469091950	ZMYNXQDMEMKXJY-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1c(F)c(F)cc(F)c1F	470213266	GBBUORWWMRRPDC-UHFFFAOYSA-N	417.227	5.158	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	471245430	IEAGJWSUHVRSAU-UHFFFAOYSA-N	423.900	5.796	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)cc1O	473414221	MHBZUIRMAHPPRG-UHFFFAOYSA-N	400.221	5.010	30	20	HKED	
Cc1nc2ccccc2n1CCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	475609362	RJAIDJDDUJJWTG-UHFFFAOYSA-N	424.504	5.019	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1	476173022	ZVLZBUYAZSMPCQ-UHFFFAOYSA-N	414.431	5.390	30	20	HKED	
N#CCSc1cccc(C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1	482159789	YLZZRLKBETZAKS-UHFFFAOYSA-N	410.848	5.394	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482396379	JGTJUWVPXBFJLP-INIZCTEOSA-N	408.317	5.078	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc(C)c1OCc1cccnc1	483241007	VHSAIQUBGWPGPH-QHCPKHFHSA-N	407.473	5.316	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1	486419901	ZXGCWWLMSCGMHM-JPYJTQIMSA-N	411.567	5.020	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c2)n1	486587011	NQFWWAYTFZSTDO-UHFFFAOYSA-N	405.567	5.443	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1	487582606	LVCCYRCOZIWPDK-QHCPKHFHSA-N	400.478	5.246	30	20	HKED	
Cc1cc(C)c2cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)[nH]c2c1	491517364	YSNQKGBHIPXLTR-UHFFFAOYSA-N	419.535	5.053	30	20	HKED	
CC[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496330424	OSZWMLNUXCBBKD-AWEZNQCLSA-N	408.449	5.031	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC4(CC4)C3)s2)c(C(F)(F)F)c1	496335081	ZHFLYMJCQWPNME-UHFFFAOYSA-N	420.460	5.032	30	20	HKED	
N#C[C@H](NC(=O)c1ccnc(SCC(F)(F)F)c1)c1cccc(Cl)c1Cl	496575236	SOKZUFHLTFCELX-LBPRGKRZSA-N	420.243	5.037	30	20	HKED	
C=CCc1cc(C(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC	499377208	FIQGANIQRRXODC-CQSZACIVSA-N	407.432	5.284	30	20	HKED	
C=CCc1cc(CN[C@H](c2ccc(C)cc2)c2ccc(OC)cc2)cc(OC)c1O	500109807	JKEYAQKSLDCDAU-RUZDIDTESA-N	403.522	5.326	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501424486	PJRDHSWUHXJPKO-LJQANCHMSA-N	416.546	5.592	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1	502607034	AKAOCJVDCQJRQM-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc4c(c3)CC(=O)N4)cc2Cl)cc1	506757339	OKIINWMSDNJWKL-UHFFFAOYSA-N	418.840	5.143	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCO[C@@H]1CCCc2ccccc21	506863289	KNJZDTYQALUODO-XMSQKQJNSA-N	423.582	5.687	30	20	HKED	
CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21	508255576	DDARBYUHEJFEQZ-INIZCTEOSA-N	402.317	5.022	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1	509069996	LKRUGJNRGRCTLD-UHFFFAOYSA-N	413.477	5.426	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1	510533792	MKMRZKWDNOYZNN-QHCPKHFHSA-N	401.466	5.168	30	20	HKED	
Cc1cc(OC(F)F)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	512943191	LYWTXVWUUWBOHB-GFCCVEGCSA-N	424.881	5.925	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSCc2ccccc2)n1	513672158	OOCXXQFQHDRCBS-GOSISDBHSA-N	418.543	6.121	30	20	HKED	
CC(C)c1ccc(-n2c(SC[C@H](C#N)CCC#N)nc3ccccc3c2=O)cc1	515308340	CMNWTEGBDNBOBQ-KRWDZBQOSA-N	402.523	5.045	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(F)ccc1Br	518168166	DFHYKFGODBQOLM-LBPRGKRZSA-N	422.323	5.162	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2CN2CCCC2)cc1Cl	519186642	KTSZHCXVKVFDCA-IFMALSPDSA-N	422.960	5.088	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(C)nc1-c1ccccc1Cl	519474946	ZLKSDRFWUQXINS-CQSZACIVSA-N	410.930	5.245	30	20	HKED	
Cc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1	522093353	URQFVUWUAIWXLA-NRFANRHFSA-N	404.901	5.063	30	20	HKED	
COc1cc(CSCc2noc(C(C)(C)C)n2)ccc1OCc1cccc(C#N)c1	523970746	ZTCDKKMVOPZALZ-UHFFFAOYSA-N	423.538	5.260	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)C(C)C	524439684	CTGNJVDWFVUAMG-UHFFFAOYSA-N	413.521	5.888	30	20	HKED	
COCc1nc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	533917390	ZGPDRQRXWQUJTD-QGZVFWFLSA-N	411.914	5.159	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ncc(-c2ccccc2C)o1	536017830	LXAWDUIMUOBXGR-UHFFFAOYSA-N	402.523	5.311	30	20	HKED	
Cc1ccccc1[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@H](C)C1	538161298	NLHKHNUPUWGHPV-GERBCZOESA-N	400.526	5.574	30	20	HKED	
CC(C)(C)[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	540400092	AISGTRLTEJYZMB-IBGZPJMESA-N	414.431	5.504	30	20	HKED	
O=C(C[C@@H]1CCCO1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542156030	ZGETWHWTMFJMIN-WCQYABFASA-N	423.275	5.013	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3ccc(Cn4cccn4)cc3)no2)c2ccccc21	545035281	IERCINNEQXJPGQ-VAWYXSNFSA-N	420.476	5.020	30	20	HKED	
CC(C)(C)c1ccc(CCCCC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1	558594315	QDSAZVBXGPQKML-UHFFFAOYSA-N	403.570	5.176	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Br)ccc1F	561407015	BSNLWJGIHBLLAY-LBPRGKRZSA-N	422.323	5.304	30	20	HKED	
CO[C@H](C)c1cccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1	569834876	IGVUVAXFMBWTGF-MRXNPFEDSA-N	411.933	5.164	30	20	HKED	
C=C(C)C[C@@H](C)c1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1	569888241	PMERVPJHJSMWDC-GFCCVEGCSA-N	402.907	5.097	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1ccco1)c1nc2cc(F)ccc2s1	592973727	JNJSTHWTGZHPTM-INIZCTEOSA-N	408.479	5.811	30	20	HKED	
Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	603656296	HYPAZWBVQDGOKN-NRFANRHFSA-N	407.514	5.001	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)o1	603739389	WYICVMJWELEWJM-UHFFFAOYSA-N	404.466	5.042	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)o2)cc1	609062281	BUYKZTMSSMSLGS-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CC(c2cccc(F)c2)C1	609378490	OYQRLQVNHPIWEZ-UHFFFAOYSA-N	422.447	5.983	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1cccc2ccccc12	609389529	UJYQQOKNMDLUOZ-ROUUACIJSA-N	420.603	6.524	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1	609434906	ZLNIABKUSYXCTN-WIYYLYMNSA-N	408.571	5.039	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)CC1	609508768	SZELMVFCMNJFGF-WXESENMXSA-N	410.517	5.321	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3cccc4ccccc34)cc2)nc1	609516464	KMGSMONMQNUSSW-RUZDIDTESA-N	419.484	5.876	30	20	HKED	
C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1	609696116	GWIRGRWZNLFYPL-FQEVSTJZSA-N	409.533	5.181	30	20	HKED	
COc1cc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[nH]c2cc1OC	609820591	DKBWXQSISXBBEJ-UHFFFAOYSA-N	413.433	5.101	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	610053135	OXMVCWLPCMOYDP-QFIPXVFZSA-N	403.457	5.498	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)C1CC1	611094841	ZQONLYAPSYKPLD-CQSZACIVSA-N	403.404	5.654	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	673812087	PKADVHGWFLXBHL-XRQNQDQWSA-N	417.481	5.335	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2	681591607	DDAPCDHEOQHHFD-UHFFFAOYSA-N	421.591	5.232	30	20	HKED	
N#CCOc1ccc(CNC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1	727677524	DAAGIEVZMPHWCF-ZRDIBKRKSA-N	408.910	5.300	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(F)cc1Cl	728062911	QVDXGSVTAYWDFL-HNNXBMFYSA-N	423.875	5.369	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc1	728345088	ATYRSBDDKKLBPA-FQEVSTJZSA-N	423.925	5.047	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2C)cs1)c1ccc(F)cc1F	731322449	YSGPQLPULHUKTK-VMPITWQZSA-N	416.424	5.450	30	20	HKED	
Cc1c(F)cccc1-c1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)o1	734303380	MULKLDAUULEJEI-AQTBWJFISA-N	401.393	5.137	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1	734643904	JVFVEPIJVLIWBB-VWLOTQADSA-N	413.496	5.925	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc(CCC)cc1)c1cccs1)c1ccncc1	734655928	XEQRLZTZSXJFNZ-JTHBVZDNSA-N	405.567	5.802	30	20	HKED	
CCCCCCn1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nc2ccccc21	741844543	SYZFEVRSQIPBTI-UHFFFAOYSA-N	417.538	5.831	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O	741921921	YMHOWLRSTOBGDV-UHFFFAOYSA-N	414.848	5.165	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	744118133	FPDRRTNSHAIQGA-QARUFBMTSA-N	404.388	5.734	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	745947748	LLUXOIVBCNIBHP-XJKSGUPXSA-N	418.440	5.597	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c[nH]c2c1	745948010	SHGZHQZODHDNFM-INIZCTEOSA-N	414.292	5.063	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CCOc3ccccc3)n2)cc1	745949490	NYODZEHHVYAEGZ-OXJNMPFZSA-N	406.507	5.100	30	20	HKED	
Cc1noc(C)c1[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	750397568	OIHSAPDOGWFCPM-OTYXRUKQSA-N	420.321	5.702	30	20	HKED	
COc1ccc(C[C@@H](C)C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1F	758097850	XOWXJXGMZRBUOL-CQSZACIVSA-N	418.925	5.084	30	20	HKED	
CCCc1c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cnn1-c1ccc(C)cc1	763857108	RNSKLIIBZOBSQW-QGZVFWFLSA-N	403.486	5.068	30	20	HKED	
C=CCNc1nc(C(=O)O[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cs1	763897882	XVBZPQSCYULVLC-GFCCVEGCSA-N	403.891	5.276	30	20	HKED	
C=CCc1cc(CN[C@H](C)c2sc(-c3cccnc3)nc2C)cc(OC)c1OC	772948681	XPXFBZHSZRMXJB-OAHLLOKOSA-N	409.555	5.110	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3c(Cl)cc(Br)cc32)c1	772983826	MBXBPRRJFUIALS-MGPUTAFESA-N	419.750	5.561	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccccc1-c1ccccc1	777173123	ZBDVKXXZPPFESJ-GOSISDBHSA-N	410.473	5.093	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)c1ccc(Cl)cc1	777304445	SBZVFONXOOYZGR-KBXCAEBGSA-N	408.910	5.549	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCCC4)cc3)n2)cc1	777308550	DUQUYFLJULCECW-OAQYLSRUSA-N	417.534	5.299	30	20	HKED	
CC(=O)N1C/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)c2ccccc2C1	778520200	PTBQZEDTQKWVNE-XKZIYDEJSA-N	415.464	5.033	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc(-c2cc3ccccc3n2CC#N)n1	779593244	PVBVLCMQLLRKBS-GOSISDBHSA-N	421.501	5.067	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3cccc(CC[C@H](O)c4ccccc4)c3)on2)c1	789976894	DVRWYGNGWRLBRI-DEOSSOPVSA-N	423.472	5.132	30	20	HKED	
COc1ccc(C#N)cc1CN[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	796469104	FHIIBJJZEUENIJ-SFHVURJKSA-N	408.716	5.249	30	20	HKED	
N#CC[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	796648662	DQRNTRDOKLEPIM-ZBFHGGJFSA-N	413.424	5.579	30	20	HKED	
C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	797613109	DIWKMGUFMDXDBU-AZGAKELHSA-N	413.496	5.677	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)c(C)o2)cs1)c1ccc(F)cc1F	799896446	IFBNIZSFHRFPLO-FNORWQNLSA-N	402.422	5.212	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/C[C@H](C(=O)O)c2ccccc2C1=O	806559998	HPHPNSIVEHRKBZ-LRJKXPEMSA-N	420.896	5.040	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	807467372	PCIDXSGZDKYCGK-FQEVSTJZSA-N	421.928	5.005	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@H]1CC[C@@H](C#N)CC1	809088531	RSTQARGDLIQGMJ-GASCZTMLSA-N	416.930	5.449	30	20	HKED	
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cc(Br)cc(Cl)c1O	815636060	OCHAWQRLWWLXTL-SCLBCKFNSA-N	407.739	5.894	30	20	HKED	
C=CCC(C)(C)c1noc(C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)n1	815708198	KOHDBHJTHGOLLB-HNNXBMFYSA-N	420.941	5.089	30	20	HKED	
Cc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	817325049	VVCUNLBBRQYQJZ-NRFANRHFSA-N	407.514	5.507	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C4SCCS4)cc3)s2)cc1	875067026	GJLHCIUQUMCZSJ-UHFFFAOYSA-N	423.588	5.336	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2nc(-c3ccccc3)cs2)cc1	914772704	AEPJNPWXAIHSRL-UHFFFAOYSA-N	407.543	5.520	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(Br)s2)cc1Br	916134211	GNDNLBKBRUDTJF-DUXPYHPUSA-N	402.107	5.178	30	20	HKED	
C#Cc1cccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1	916134719	PUUXNQFVLVXSDA-UHFFFAOYSA-N	411.230	5.009	30	20	HKED	
COc1ccc(C(C)=NNc2nc3ccccc3s2)cc1CSc1ncccn1	916588374	SAEREKAJZTXTCK-UHFFFAOYSA-N	421.551	5.223	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	916902171	VKEWMPGUKGHNNW-INIZCTEOSA-N	415.301	5.683	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1	916955537	ROXWHKYKDPRJPP-FOIQADDNSA-N	404.441	5.560	30	20	HKED	
Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OCC1CC1	920364525	DZQMEQWEDKCRJH-UHFFFAOYSA-N	419.337	5.212	30	20	HKED	
N#CCOc1ccccc1C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1	920414007	NASNNZDULJXSCM-UHFFFAOYSA-N	418.396	5.088	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)CCC1	1786612308	ALNLXMMUBVDHMS-IBGZPJMESA-N	416.443	5.043	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)C2	1798592826	KEKMEJQLNLRSAI-JIKXHTODSA-N	414.634	5.224	30	20	HKED	
C#CCN(Cc1nc(N)c2c3c(sc2n1)CCCCC3)[C@H]1CCCc2ccccc21	2088607222	JFIXOBNEUIMCHT-FQEVSTJZSA-N	416.594	5.055	30	20	HKED	
C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nnc1-c1cccc(C)c1	23014155	BXDCRQJUQIFKHM-UHFFFAOYSA-N	417.481	5.342	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCCOc1ccc(F)cc1	25831797	OVJVGITXNPJSIT-UHFFFAOYSA-N	420.509	5.438	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c12	54736875	DKRQEJNUSXQAGE-INIZCTEOSA-N	413.481	5.003	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c12	54736877	NNQPUBGCMKUNCM-MRXNPFEDSA-N	415.497	5.249	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(OC(F)(F)F)cc1	59254174	BZLHVGCJFMYJFQ-UHFFFAOYSA-N	413.245	5.040	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCCOCc3ccccc3)c2)c1	64916893	BTLQTIMKVXEIIX-UHFFFAOYSA-N	400.478	5.073	30	20	HKED	
COc1ccc(C)cc1-c1csc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)n1	108464839	JWOHNSLDLYIWGH-NRFANRHFSA-N	421.522	5.041	30	20	HKED	
C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1nc(-c2ccccc2)cs1	302668314	NBARRQKOYMXWHI-CYBMUJFWSA-N	401.451	5.311	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)c1	429058779	IWSPYAWVYIPDOI-JOCHJYFZSA-N	422.916	5.338	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	431416726	WJLMZESWIQFSRN-UHFFFAOYSA-N	406.511	5.481	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1ccccc1	431930165	DCNHDIHIWPBWEP-RBUKOAKNSA-N	402.325	5.715	30	20	HKED	
Cc1cccc(-c2cccc(CNCc3cn(CCC#N)nc3-c3ccncc3)c2)c1	433336473	PNLHAXKDVGELHQ-UHFFFAOYSA-N	407.521	5.124	30	20	HKED	
COc1ccc([C@H](NC(=O)c2cc(C#N)oc2C)c2ccc(C(F)(F)F)cc2)cc1	436058116	JXAMMGQLLCOPHZ-HXUWFJFHSA-N	414.383	5.007	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OC	436064641	ZXKNZHWFEPKXOM-SFHVURJKSA-N	419.525	5.233	30	20	HKED	
COc1ccc([C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccc(F)cc2)cc1	438837564	AUOXIKQGSRUMDW-ZEQRLZLVSA-N	417.484	5.268	30	20	HKED	
N#CC1CCC(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1	441147423	LSDRAXPDKAEWJS-UHFFFAOYSA-N	403.457	5.207	30	20	HKED	
N#CCCCCNC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	444934753	ZWIPHKVLTDELGQ-UHFFFAOYSA-N	400.891	5.557	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1	461100888	BSYRUEJTFOHBRN-IKGGRYGDSA-N	413.226	5.497	30	20	HKED	
C[C@H](C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cccc(C#N)c1	462029328	SUUVLNUJJNGFQC-LIRRHRJNSA-N	405.498	5.118	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	463674817	BNEGARQNBFLFNL-UHFFFAOYSA-N	407.267	5.674	30	20	HKED	
CCOc1ccc(C#N)cc1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	466147948	RZIUFIZLFBWJAI-LLVKDONJSA-N	403.269	5.487	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccccc1F	466610696	QVCZZGRKCRSPPE-OAHLLOKOSA-N	421.501	5.482	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(C3CC3)c2)cc1C	466764718	HSUQCSLGVCSDPK-UHFFFAOYSA-N	402.473	5.349	30	20	HKED	
Cc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1Br	470051449	RPVHELBTPDZSDU-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CC(C)CC[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470550494	YDTSCAFTVOPEOC-OAQYLSRUSA-N	410.562	5.092	30	20	HKED	
CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470560730	MNXICDAFPRHINK-XMMPIXPASA-N	418.541	5.131	30	20	HKED	
COCCCC[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1	472458250	XECGTQLHUHEYFR-TZRRMPRUSA-N	405.542	5.026	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)c1C#N	477380071	NPCOABQZGKDCAH-UHFFFAOYSA-N	409.942	5.135	30	20	HKED	
Cc1c(Br)cccc1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	480083222	PUBMWSLDMFZJEF-ZDUSSCGKSA-N	403.345	5.333	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1ccccc1Br	481781239	MPHUYJOTLHKVOO-OAHLLOKOSA-N	417.372	5.805	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc2ccccc2o1	481991287	ROYRZORVVJICCT-CABCVRRESA-N	411.552	5.512	30	20	HKED	
CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccncc1)c1ccc(Cl)cc1	483439855	FMLYTDVJQXUQCM-JOCHJYFZSA-N	418.928	5.789	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1	485032059	IPSRNSZXWQVCHO-UHFFFAOYSA-N	400.441	5.237	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F	485073012	PWSBZLFWNKJPCC-RTWAWAEBSA-N	416.443	5.738	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	486909840	KOGZYXMESPDPNX-PXAZEXFGSA-N	411.424	5.645	30	20	HKED	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c12	487214039	XFWVQTGCKAYYQP-QFIPXVFZSA-N	423.520	5.109	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)Cc1nccn1C(F)F	489250565	IVZKYIAVIZOSDX-SECBINFHSA-N	401.301	5.509	30	20	HKED	
Cc1[nH]c2ccccc2c1C1=CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	491207426	XIUZWGQEFUBDLB-UHFFFAOYSA-N	407.521	5.038	30	20	HKED	
Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	491470190	QKKNBQRAMYAJFJ-UTKZUKDTSA-N	423.582	5.089	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1	495092471	IBAAWQSLLIHGSE-FNZWTVRRSA-N	400.497	5.622	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	498918162	PQSXLCZZHNETFS-UHFFFAOYSA-N	424.504	5.339	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1OCC	499974007	QFDPWFGWANTWOG-QGZVFWFLSA-N	407.297	5.176	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(OCc2ccccc2)cc1	505343897	MWUPYXKYZNDDMO-HKBOAZHASA-N	416.443	5.315	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	505348575	HRTVKTHWUZEOLN-OAHLLOKOSA-N	420.683	5.605	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2)cs1	505922495	IAKYDYRCABVUEZ-KRWDZBQOSA-N	401.413	5.132	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1Oc1ccncc1	510493979	BOHMFPZTCLIHGM-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510550167	OFMZENLRYVWAMC-HRAATJIYSA-N	423.944	5.019	30	20	HKED	
COc1cc(CN2CCC(C#N)CC2)ccc1OCc1ccc(Cl)cc1Cl	512710600	VYALCTHLCQGLHQ-UHFFFAOYSA-N	405.325	5.317	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)C(F)(F)F)c1	512853224	VDJRLFNOYJRLKM-RDTXWAMCSA-N	407.461	5.672	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nc2ccccc2s1	513655857	VBUUWUAACBHFII-KRWDZBQOSA-N	415.430	5.487	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)s2)cc1	515617146	PFGOREGPFLLEAR-UHFFFAOYSA-N	421.522	5.452	30	20	HKED	
CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	518739205	STLZIZXRIBYDTE-HUUCEWRRSA-N	413.568	5.159	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)S[C@@H](C)c1ccc(Cl)cc1	520116053	FXFUIBPZISJRAV-JKSUJKDBSA-N	402.947	5.478	30	20	HKED	
Cc1cc(C)nc(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	520514621	RAKLBQPHGVEZFP-LJQANCHMSA-N	422.941	5.133	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(c1ccccc1)c1ccccc1	520855410	LWQASPAHVNQQAM-IBGZPJMESA-N	415.562	5.892	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)ccc3OC(C)C)s2)c(C)c1	520974522	LXMPFPPOHZMQPG-UHFFFAOYSA-N	405.523	5.647	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)CCC2	522073848	FCUXFEOWFHOAMW-NRFANRHFSA-N	418.522	5.657	30	20	HKED	
C[C@H](CCc1ccco1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	523146117	DCMSHBAVZMQSJS-GOSISDBHSA-N	405.473	5.023	30	20	HKED	
COc1cc(C)c([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	523588019	MWVCUNVBVVAIJC-HOTGVXAUSA-N	413.543	5.289	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	523754980	KLEHXXWXRWWVRR-CQSZACIVSA-N	418.419	5.724	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cccc(CCCc2ccccc2)c1	524222682	IJTXXLUQBYNFCI-UHFFFAOYSA-N	415.562	5.528	30	20	HKED	
C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1	532360048	BSPLCGRAWVWSGJ-RUZDIDTESA-N	413.477	5.130	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	533598890	JKRHKDNVSGCFQD-UHFFFAOYSA-N	406.511	5.292	30	20	HKED	
COc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(OC)c1	536385519	HJQVCOOFDQUZQP-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
FC(F)n1c(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2ccccc21	538321090	STHIEVPIDUXOAT-HNNXBMFYSA-N	423.307	5.843	30	20	HKED	
C=CCCC[C@H](C)NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1	539467069	UVQYIKCAVCKHAH-RDJZCZTQSA-N	402.926	5.024	30	20	HKED	
COc1ccc([C@H](NCCCC2(C#N)CCOCC2)c2ccccc2Cl)c(C)c1	540808869	REMTXVUILAXROP-QHCPKHFHSA-N	412.961	5.437	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N	540854198	OPQZKIQHKUPSKG-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)c1	541065978	WVQQYQJYKCQMPD-UHFFFAOYSA-N	411.461	5.290	30	20	HKED	
C=CCN(C(=O)c1ccc(F)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	541267368	CYPDKRZTNUAZPJ-UHFFFAOYSA-N	408.285	5.484	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)c(Cl)c1	542388900	VUMCQIRBVJAATH-ZDUSSCGKSA-N	410.724	5.405	30	20	HKED	
Cc1ccc(C2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)cn1	543111588	HCBBYBRAJSXATL-UHFFFAOYSA-N	411.505	5.382	30	20	HKED	
CC(=O)N1CCc2c(sc3nc(CC#N)c(C(C)C)c(-c4ccc(C)cc4)c23)C1	544404056	WRIXSAOEDCTPGC-UHFFFAOYSA-N	403.551	5.366	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)cc1	547961609	XVZGWPHUYGWJLI-UHFFFAOYSA-N	408.929	5.145	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OCCCC)CC1	549269478	NOLOCGRJISZMCS-UHFFFAOYSA-N	419.573	5.163	30	20	HKED	
CN(C)C(=O)c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1Cl	551087332	HERMGLHIPRJMAU-UHFFFAOYSA-N	419.912	5.105	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1)[C@H]1C[C@@H]1C	554661018	XGTZNOCQMXPXJM-GKVSMKOHSA-N	424.504	5.315	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)c(F)c1	560767750	AXLQFAYHLBNJLN-PKTZIBPZSA-N	414.480	5.024	30	20	HKED	
N#CC[C@@H](CC(=O)NCC1(c2ccc(Br)s2)CCC1)c1ccccc1	563294182	CFINIOKQHYFSBZ-INIZCTEOSA-N	417.372	5.136	30	20	HKED	
CSCc1cccnc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	569158933	ATJJRDODXLLAEO-UHFFFAOYSA-N	423.925	5.301	30	20	HKED	
Cc1ccc2sc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2c1	570132914	CGFXXRLNERTVNC-CQSZACIVSA-N	419.531	5.289	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1)[C@H]1C[C@H]1C	581091194	CVQXWVSUTQEDDR-XCLFUZPHSA-N	403.507	5.095	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)COc3ccccc3-c3ccccc3)cc2)ccn1	589470815	VMFIARZIERKGCW-UHFFFAOYSA-N	421.456	5.430	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1	589918560	XFPJIZTZQOPPGG-UHFFFAOYSA-N	402.422	5.229	30	20	HKED	
Fc1ccc(-c2nc(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)co2)cc1F	590818505	CDXOZSCTWAOZKL-GHMZBOCLSA-N	414.296	5.183	30	20	HKED	
N#C[C@@H](C(=O)c1sccc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	591862599	XXGJOULCZIUVLK-AWEZNQCLSA-N	419.358	6.546	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2Cl)cc1	604026783	OMUJKWWRBRKZTB-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)s1	609322415	HKMZUEZBADURMH-HNNXBMFYSA-N	406.511	5.649	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1	609377210	RVDGABCGBKLPBB-OALUTQOASA-N	416.546	6.011	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccccc2Br)sc2ccc(F)cc12	609592746	HCSDFGIMUALUOV-OAHLLOKOSA-N	403.276	5.106	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc3cc(F)ccc3o2)cc1	609783855	BAVNNLDAZTXWAS-UHFFFAOYSA-N	402.400	5.425	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1	610009217	WSUDEDNLYRJZPK-DNVCBOLYSA-N	402.560	5.900	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)C1CC1	611095535	MQNZVKGUXSPWRT-AWEZNQCLSA-N	403.404	5.654	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n[nH]2)o1	613320185	WGNFADTUPNYZML-AWEZNQCLSA-N	408.870	5.245	30	20	HKED	
CCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21	613320476	ZKUULEQNMMEPDH-KRWDZBQOSA-N	405.910	5.928	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@H]2c2ccco2)cc1Cl	614138899	CKYQCNTXFXIETN-CTNGQTDRSA-N	421.884	5.194	30	20	HKED	
C=CCN(C(=O)c1cc(C)nn1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	614509423	AQQCFIQWDGATSK-UHFFFAOYSA-N	414.534	5.352	30	20	HKED	
CC(C)(C#N)CCCCN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	618281331	KCXCOQXBKZKMMK-DEOSSOPVSA-N	424.633	5.895	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2c(F)cccc12	620304102	AVTZCLJYODQKGV-LBPRGKRZSA-N	412.392	5.772	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)CC(F)(F)F	677377802	BQKKMTAJURHSEY-UHFFFAOYSA-N	403.857	5.031	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2ccc(Oc3cccc(F)c3)nc2)cc1Cl	726487278	KOKDRDLNNGHEFE-UHFFFAOYSA-N	412.877	5.025	30	20	HKED	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)cc1	726801239	FITYMWGYMZPANR-HKWRFOASSA-N	408.548	5.337	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)cc1	726940680	OQCHAKXKWFHIBY-UHFFFAOYSA-N	416.525	5.558	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1nc2cc(F)ccc2s1	730420357	CLCQLUHUHZPUOL-INIZCTEOSA-N	408.429	5.644	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)c1	731319923	SGRMTATVBNCRNW-XNTDXEJSSA-N	422.484	5.160	30	20	HKED	
O=C(/C=C\c1ccc(Oc2cc(F)cc(F)c2)cc1)c1ccc(C(F)(F)F)nc1O	731564785	TXHTVZKEGBWYQO-CLTKARDFSA-N	421.321	5.773	30	20	HKED	
CCc1cccc2c(CC(=O)[C@@H](C#N)C(=O)Nc3ccc([C@H](C)CC)cc3)c[nH]c12	731767844	NDFPHBQILHWCPP-OPAMFIHVSA-N	401.510	5.134	30	20	HKED	
C=CC[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccncc1	734509179	IBPYUMAHSNMHGC-IBGZPJMESA-N	409.873	5.843	30	20	HKED	
Cc1ccccc1[C@H](C)CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	734963380	HALGKKLANDUZPI-KDOFPFPSSA-N	402.466	5.151	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)c2ccc(C(C)C)cc2)cc1Cl	739155436	QNJGSDVDBPUTAQ-HNAYVOBHSA-N	412.917	5.313	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	739155768	VNGATYIDBNDYPY-FOIQADDNSA-N	424.422	5.700	30	20	HKED	
COc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC(F)F	740013691	IVFOTYRKPONHSW-UHFFFAOYSA-N	400.450	5.187	30	20	HKED	
CCO[C@@H]1CC(=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C12CCCCC2	741460469	NHEDXGWZEQYAOP-QGZVFWFLSA-N	419.451	5.085	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(c4ccccc4)CC3)n2)cc1	744063043	XDJUMOGOJMIPND-VTLFHKLASA-N	411.530	5.832	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccccc1C#N	745724269	OANTXIPECCZQBJ-UHFFFAOYSA-N	400.482	5.281	30	20	HKED	
Cc1nn(C)c2ncc(/C=C/C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12	750915922	JEEPPYDDMBPRHH-ONEGZZNKSA-N	413.321	5.210	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2sc(-c3ccccc3)nc2C)cc1C#N	752903993	JNQAYHSDCPXKOU-UHFFFAOYSA-N	421.482	5.203	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC1CCC(C#N)CC1	755954676	RSTQARGDLIQGMJ-UHFFFAOYSA-N	416.930	5.449	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)c1nc2ccccc2s1	756502461	CYNXTOYSPHLFHM-OAHLLOKOSA-N	407.495	5.062	30	20	HKED	
COc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1OC1CCCC1	770527071	KWCXVGPPNPGKLB-UHFFFAOYSA-N	416.525	5.406	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)OC[C@H](C#N)Cc3cccs3)cc2)cs1	772738195	SIODDSQUMFUQSC-HNNXBMFYSA-N	414.577	5.345	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)c1	772983445	KHZZRTAHYASLFW-XMSQKQJNSA-N	408.546	5.092	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccccc4F)sc32)c1	772983494	KMPCCMFBPRVTLR-UTKZUKDTSA-N	421.541	5.797	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3cc(-c4ccccc4)c(C)n3)n2)cc1	774053178	IDIXVRRNTIDINU-HXUWFJFHSA-N	412.518	5.167	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CON=Cc2ccccc2OC(F)F)on1	778020918	WWXPEXATGSVYLK-UHFFFAOYSA-N	424.403	5.656	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Br)c(C(F)(F)F)c1	780162675	WUJJYVXHNGOGHK-SNVBAGLBSA-N	413.193	5.011	30	20	HKED	
N#CC1(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CCCCC1	787716446	HVOZRLXTGXAUTM-UHFFFAOYSA-N	407.564	5.545	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCOc3ccc(C(C)C)cc3C2=O)cn1	792888076	XBNGHTQNRYCHEW-UNOMPAQXSA-N	400.478	5.324	30	20	HKED	
N#CC1(CCCOC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)CCOCC1	800153965	HEQVHDWJTOOPFQ-OAQYLSRUSA-N	413.901	5.104	30	20	HKED	
Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	804485029	ZVOOZUMUNBOLCC-KOSHJBKYSA-N	416.546	5.011	30	20	HKED	
Cc1cc(=O)oc2cc(N(C)C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)ccc12	805355197	WXEYUTMHAJBEMS-UHFFFAOYSA-N	410.429	5.042	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(Br)c1	813066751	HBCAAFFTPRCJLN-YGRLFVJLSA-N	403.276	5.178	30	20	HKED	
Cc1c(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)sc2ccc(C#N)cc12	904504548	YVUPDSWWXRCXIK-UHFFFAOYSA-N	424.485	5.772	30	20	HKED	
N#Cc1ccsc1NC(=O)c1cccc(OCc2ccccc2Br)c1	916037574	ZZJFKPMHCOHYKH-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)cc1)Nc1ccccc1	916127934	PBCVNYFSDHQLFZ-NVNXTCNLSA-N	423.415	5.202	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)c(-c2ccccc2)n1	916130061	GOOVBHAREHABBK-VQHVLOKHSA-N	401.853	5.759	30	20	HKED	
N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1	916623059	ZXRHLKUUXICHNX-NRFANRHFSA-N	422.513	5.174	30	20	HKED	
CCCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1	916843512	LPTTYAZJPIYMKA-FQEVSTJZSA-N	401.510	5.145	30	20	HKED	
CCCc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1CC	916883327	IYLRNLSQPFOSSG-OAHLLOKOSA-N	422.522	5.539	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1	916913564	HQZBGYUKLSWYDV-IBGZPJMESA-N	421.497	5.253	30	20	HKED	
Cc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995443	FNAYTEWTSGTQFM-INIZCTEOSA-N	401.318	5.844	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ccccc2Br)cc1	917119384	BPXPKACHVUISDS-OAQYLSRUSA-N	419.322	5.676	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(F)c2)cc(Br)c1OC(F)F	917143956	ZBLZGRJDOAHOKE-AATRIKPKSA-N	401.178	5.094	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2Cl)cc1	917876536	KDJSFYAYXQEXDO-UHFFFAOYSA-N	416.820	5.363	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S	919941696	MENGVLHIWPXIML-SFHVURJKSA-N	400.523	5.334	30	20	HKED	
N#C[C@@H](C(=O)CN1CCC[C@@H]1c1cccc2ccccc12)c1nc2ccccc2s1	920087763	FRXCBHKALIBXDQ-RBBKRZOGSA-N	411.530	5.463	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(F)cccc4s3)n2)cc1	920140856	KCCPEFZDUZVEIN-HNNXBMFYSA-N	403.463	5.526	30	20	HKED	
CC(C)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920142883	XBPSWXSYJSENBY-KKSFZXQISA-N	415.518	5.449	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cccc4ccccc34)n2)cc1	920144004	VWLBYOISMAZKJS-FQEVSTJZSA-N	414.486	5.227	30	20	HKED	
CCCCOc1ncccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	920783601	PUCUZZGGJAJJKP-HSZRJFAPSA-N	414.509	5.238	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCCCC3(F)F)C2)CC1	1806205118	WOBBVPAEQFLVFJ-IBGZPJMESA-N	424.576	5.036	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CC=C)C(=C)C)CC1	1824141925	ANIDPEPTMYSMEJ-DNQXCXABSA-N	412.618	5.143	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824629129	VBNYEDNCFGLITL-FQEVSTJZSA-N	424.576	5.056	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2)CC1	1829962107	HWKCJIUAAIORRF-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nc2ccccc2c1=O	8282438	STDXRQZDZONASQ-DLBZAZTESA-N	421.566	5.215	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2cccc(C)c2)c1	11083057	ILZXZGBGYXJNEK-UHFFFAOYSA-O	407.534	5.398	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1	26036974	HYNSIANVCZWIQN-UHFFFAOYSA-N	400.507	5.045	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3sccc3C2)cc1Cl	47565596	CKSSBNXRYYTVHZ-LJQANCHMSA-N	407.926	5.647	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3csc(Br)c3)c2)c1	60976278	HQXSHROAXAGOLT-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	63641482	KBWWAKBYXGRNCZ-GOSISDBHSA-N	415.493	5.497	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1cccnc1Sc1ccc(Br)cc1	63960999	UGIKCXPPWFCFFM-UHFFFAOYSA-N	424.323	5.428	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)cc1	64532721	WKRQJWUKOIOANC-DEOSSOPVSA-N	417.553	5.487	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1	108433050	MSUSSGULWRNCJC-UHFFFAOYSA-N	419.525	5.016	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1	108853748	VMCVXJATRKDOLY-UHFFFAOYSA-N	418.500	5.677	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	410184667	IUIBDSRJJPYBRG-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	410349122	NSUQDZDXGRGYGQ-UHFFFAOYSA-N	424.953	6.333	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	426906150	YQYOTDVLVULBAC-SFHVURJKSA-N	414.530	5.242	30	20	HKED	
N#CCSc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1	429936928	BJBYZDKOTMMDLL-UHFFFAOYSA-N	405.504	5.102	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)s1	430612892	URLSBHLSJBGGMX-INIZCTEOSA-N	424.472	5.440	30	20	HKED	
Cc1c(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)oc2ccc(Cl)cc12	431645832	SKDMPHZFDZPLPU-GOSISDBHSA-N	402.903	5.108	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1c(F)cc(Br)cc1F)c1ccccc1	432981071	ZSPNMTASZWXSRD-MRXNPFEDSA-N	408.246	5.284	30	20	HKED	
N#CCCC[C@H](NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1	433029184	RCZNFXOORDFHOK-SFHVURJKSA-N	411.303	5.024	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccccc1	434972799	PXJAVWLUVWBCKF-DEOSSOPVSA-N	401.510	5.167	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(F)(F)F)CC3)cc2Cl)cc1	437901480	VZQMYRDSTOFZPS-UHFFFAOYSA-N	423.822	5.810	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1cnccn1	443507271	AMVMLJISODWBJN-CYBMUJFWSA-N	424.917	5.083	30	20	HKED	
CCOc1cc(Cl)ccc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	443933847	BALUNAUDESFQRM-AWEZNQCLSA-N	403.935	5.312	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	444419198	YCHDIRYFPOLURO-UHFFFAOYSA-N	415.234	5.070	30	20	HKED	
N#Cc1ccc(/C=C/c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)cc1	445371897	ZOXKFJYQPFMBAG-XNTDXEJSSA-N	422.444	5.085	30	20	HKED	
CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3cccc(C#N)c3)cc2)C1=O	445974514	MQARZCGFHPSPRQ-HSZRJFAPSA-N	411.461	5.270	30	20	HKED	
CC[C@H](NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C#N)cc1	447574389	MRTIXFIBLCWFOX-QFIPXVFZSA-N	412.375	5.026	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2CC(F)(F)F)o1	460398977	HMWQFANCIMUQEN-UHFFFAOYSA-N	400.356	5.087	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H](C)C[C@@H]1c1ccccc1F	460775787	ANSXSRAZLHCBEN-AUSIDOKSSA-N	420.532	5.298	30	20	HKED	
CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	461888151	JZZCDWBDQBVOEV-RTBURBONSA-N	408.571	5.214	30	20	HKED	
CN(C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463667001	RFNCNXPDFVYJEC-RDBSUJKOSA-N	400.338	5.192	30	20	HKED	
CC(C)(C(=O)N[C@@H](C#N)C(C)(C)C)c1csc(-c2c(Cl)cccc2Cl)n1	464710639	NAQMZNMJFRNKLL-ZDUSSCGKSA-N	410.370	5.449	30	20	HKED	
C[C@H](CCc1cccn1C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	466131659	RKERLCQZIBAXTP-VGOFRKELSA-N	420.944	5.477	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccccc2Sc2ccccc2C#N)C1	467752749	HOLLDGVBTNCMEE-GFRNBQLOSA-N	420.578	5.111	30	20	HKED	
Cc1cccc(-c2nnc(SCc3cc(F)ccc3C#N)n2Cc2ccco2)c1	468813648	DWRHEVJELVRBEM-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccc(F)cc3)c3ccccn3)ccc21	469262353	TWNFMQAMTIWHLC-RUZDIDTESA-N	414.484	5.005	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(Br)cn1	475247506	OYJWAVBQNTUWRX-NSHDSACASA-N	414.756	5.018	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cnc2ccccc2c1	475495302	SPOKHWXUIFFDAV-UHFFFAOYSA-N	407.473	5.175	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C(=O)NCCCC)cc1	475576785	WCYFUANWFQKLPD-UHFFFAOYSA-N	407.558	5.390	30	20	HKED	
COCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)o1	477486853	UZGRFFYCKLCNHW-JOCHJYFZSA-N	419.481	5.460	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2C(C)C)cc1	484815092	YRGCJTFEYXHJKJ-UHFFFAOYSA-N	415.541	5.618	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc(OC)c1OC	485845190	NREWDMQNOHMSQV-UHFFFAOYSA-N	409.432	5.630	30	20	HKED	
N#CCn1c(/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)nc2ccccc21	485979767	QMFYIAGDBVJPQJ-OUKQBFOZSA-N	412.880	5.636	30	20	HKED	
C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SC2CCCC2)cc1	488484893	VCQHQKVVXWSSEU-HOYKHHGWSA-N	419.594	5.045	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)o2)cc1	489818771	YRNQKTHBQRYJEE-ZDUSSCGKSA-N	415.902	5.074	30	20	HKED	
Cc1cccc2nc(C3CCN(Cc4cc(C#N)ccc4Br)CC3)oc12	493570980	DIAUSIFLGVODQT-UHFFFAOYSA-N	410.315	5.150	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccc(Cl)s2)cc1C	497078443	FLFLFWYUUHQTSC-UHFFFAOYSA-N	412.946	5.068	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1	500006592	QWGUWQFSQXKDEG-RTBURBONSA-N	401.535	5.786	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OCCC)c(OC)c1	502670972	RGCDYWPTKCQLMI-HNNXBMFYSA-N	422.978	5.658	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1OC(F)F	505440305	OIKKZUZHNTWMQO-GLKRBJQHSA-N	421.312	5.090	30	20	HKED	
CCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	508282413	ANTZQANQSQPRDM-UHFFFAOYSA-N	415.493	5.803	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc(O)c4nc(C)ccc34)o2)cc1	509060729	NFSRLGATKJPWGU-UHFFFAOYSA-N	405.479	5.156	30	20	HKED	
C=CCOc1ccc(CN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)C(C)(C)C)cc1	514074275	LEQSHTVTOIEOMX-JOCHJYFZSA-N	406.570	5.014	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Br)cc1Cl	514076647	BRMCMIBXZGGQRT-UHFFFAOYSA-N	411.686	5.150	30	20	HKED	
Cc1cc(C)n(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1	515051839	LZNFUUJNVWGXHV-UHFFFAOYSA-N	424.529	5.764	30	20	HKED	
Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2C#N)c(OCc2ccccc2)c1	515657065	UZNBOCQMNYCVIM-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)cc2)ccn1	516357332	WEDVIHRCWYHCDA-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1ccc(F)cc1C(F)(F)F	520160994	YZWZKISIUHQGFR-NSHDSACASA-N	422.344	5.766	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccccc1)c1cccc(Cl)c1	521384432	CGVIWHHVDSKNQG-QFIPXVFZSA-N	410.304	5.183	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(-c4nccs4)c3)c2)cc1	522314635	METOCPMPTMLJRO-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
COc1ccc(N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1OC	530650719	OGEHTYDIGACMIT-UHFFFAOYSA-N	404.491	5.003	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C	531313787	GNYRBEZCHAOZTO-KXBFYZLASA-N	416.978	5.016	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	535615369	CUBKTDMHMXMWBB-INIZCTEOSA-N	421.909	6.074	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1	536097633	BYDGEAVAOZAHIG-UHFFFAOYSA-N	404.535	5.180	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1[C@H](C)C1CC1	537478122	PSGUVBHGNMTBJM-CXAGYDPISA-N	410.930	5.430	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1	538425228	QWEIHNLNWMFPHY-MRXNPFEDSA-N	400.519	5.031	30	20	HKED	
Cc1sc2nc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(N)c2c1C	541084822	PMCPHJISSKWGDZ-OAHLLOKOSA-N	413.550	5.280	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1	542020676	KZJPLGYAEXHNRZ-AWEZNQCLSA-N	410.355	5.035	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)nc2ccccc21	542804704	ZHCOTWTWOMFTAQ-HXUWFJFHSA-N	420.447	5.418	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	542979913	VGXDQOMSXOKAMY-CLOONOSVSA-N	408.505	5.631	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1Cc1ccncc1	546562727	HCSDVIYKCLNUFD-INIZCTEOSA-N	404.539	5.052	30	20	HKED	
CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)ccc21	548841130	PHNNHUHFIANHSR-UHFFFAOYSA-N	401.554	5.128	30	20	HKED	
CC1(C(=O)Nc2ccc(-c3ncco3)cc2)CCN(c2ccc(Cl)cc2C#N)CC1	553124588	PTBMJXVBUQKERF-UHFFFAOYSA-N	420.900	5.112	30	20	HKED	
Cc1cc(C)c(C[C@H](C(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C(F)(F)F)c(C)c1	553810854	JWRADCYRGVWBKQ-BAGYTPMASA-N	414.471	5.099	30	20	HKED	
N#CCCN(C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1ccc(F)cc1	553820973	CSJTVVVRTZEXBQ-UHFFFAOYSA-N	412.468	5.044	30	20	HKED	
N#CCCCOc1cccc(N[C@@H]2CCSc3ccc(Br)cc32)c1	553831773	HOSCRIYTXADANA-GOSISDBHSA-N	403.345	5.781	30	20	HKED	
N#CCCC[C@@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccccc1	556907874	CLHZKFJBOABRQT-LJQANCHMSA-N	400.313	5.099	30	20	HKED	
CCOc1cccc(CNCc2cc(F)c(C(F)(F)F)cc2F)c1OC(F)F	558118169	KQXFGWJCXIIINB-UHFFFAOYSA-N	411.317	5.274	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1(c2ccccn2)CCC1	558305133	HTLPFSHUDVBABX-UHFFFAOYSA-N	412.493	5.297	30	20	HKED	
C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	558447660	ISNCRYYPUVULOH-LJQANCHMSA-N	419.529	5.145	30	20	HKED	
C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(OCCc2ccccc2)CC1	558980099	CXYKVVWMEGNNGW-UHFFFAOYSA-N	422.598	5.119	30	20	HKED	
Cc1nc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C)o1	560046202	RIFYGGRSEMVHTK-UHFFFAOYSA-N	401.344	5.227	30	20	HKED	
COc1cc([C@H](C)NC2CCN(c3ccc(C#N)cc3)CC2)ccc1OC1CCCC1	560514706	RBPRKQBWFZZXFD-IBGZPJMESA-N	419.569	5.208	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nccn1-c1ccccc1	561747570	DNNLQTNOKWYNEG-HXUWFJFHSA-N	408.505	5.174	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	569309946	GGNMOCAIZWCTGP-WAIKUNEKSA-N	416.456	5.500	30	20	HKED	
Cc1cc(-c2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)ccc1N1CCC[C@@H](C)C1	570972711	ZFIOTDSSFNAJEI-VGSWGCGISA-N	411.509	5.003	30	20	HKED	
N#Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cnc1C(F)(F)F	572545509	UAATWDMXPPBIPZ-INIZCTEOSA-N	421.831	5.206	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1C#N	574084571	PTOVDQLDECCNNA-UHFFFAOYSA-N	406.555	5.041	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1F	574124575	XZFUQHKVSGVQMF-VXKWHMMOSA-N	421.472	5.055	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccncc2)cc1	577213819	IQRXIBXHMBQRAT-QGZVFWFLSA-N	403.507	5.165	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)CC2)c1	577242009	NMGOCEAFFVBFFY-UHFFFAOYSA-N	419.437	5.344	30	20	HKED	
CCCCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H](C)c1ccc(C)o1	586758822	IGNLCLIDDJFGIK-GOSISDBHSA-N	411.521	5.205	30	20	HKED	
CN(CCCOc1ccccc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	603610482	ZRTTZSXZQPLRNN-UHFFFAOYSA-N	416.546	5.392	30	20	HKED	
CC(C)c1ccc(CSc2nnc(S[C@@H](C#N)Cc3ccccc3)s2)cc1	604071476	NNKZHCCXEGTIMV-LJQANCHMSA-N	411.621	6.181	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc3sc(N(CC)CC)nc3s2)c1C#N	609031901	YRXOYPJKCREZMQ-UHFFFAOYSA-N	404.586	5.260	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	609209193	VGDVRYGQVUDBQY-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
COc1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(C)C)[C@H](C)C2CC2)cc1	609422553	ZKDVEGMOTOSOQG-QGZVFWFLSA-N	407.514	5.187	30	20	HKED	
COCCN(C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1	610233772	NNQLEIVEEJSDSM-UHFFFAOYSA-N	420.896	5.084	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)c1cccc(C#N)c1	610348212	LPJMZWCWJXAYOR-JLTOFOAXSA-N	412.331	5.222	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cnccc1C	611302923	NPKCIGPLFCPXMO-GOSISDBHSA-N	400.482	5.032	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)NCc1ccc(C#N)c(Cl)c1	619768807	UIPIHOBFFVMPQM-INIZCTEOSA-N	409.942	5.746	30	20	HKED	
COCc1cccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1	642281376	AXAFIKHGXOIVSV-BSFBHTCNSA-N	406.551	5.247	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F	676225384	VMPCFAKYSALZLH-UHFFFAOYSA-N	401.228	5.751	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1	682777224	IJTCKFBQHUYPFS-RCZVLFRGSA-N	406.570	6.170	30	20	HKED	
O=C(Cc1cccc(Cl)c1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	685604934	DFJMPDAVGOULFR-UWVGGRQHSA-N	405.741	5.047	30	20	HKED	
COc1ccc(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	726455713	FQMZTHVRVMNHBR-JZYVYDRUSA-N	418.378	5.030	30	20	HKED	
CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccccc1	726571004	BSPRYEVKKBUVTC-UHFFFAOYSA-O	420.945	5.385	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccccc2C(F)(F)F)cc1	729888773	OJCWBMUSRKRRCF-RDTXWAMCSA-N	402.416	5.109	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc2cc(F)ccc2s1	730417984	VNYPEIQYULOVTF-QIBOZCLASA-N	406.482	5.646	30	20	HKED	
O=C(Nc1cccc(/C=C2/COc3ccc(F)cc3C2=O)c1)c1ccccc1Cl	731565691	YAAHBKXUZQZOJX-GDNBJRDFSA-N	407.828	5.390	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2SC(F)F)ccc1OC	733615711	BFGGFGWZVPKJGM-CQSZACIVSA-N	421.469	5.013	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2ccccc2-c2ccccc2)c1	733804959	NXJXMNBGBDETCR-QHCPKHFHSA-N	413.521	5.376	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)s1	734083021	KUZLXVCGAXWPQY-CQSZACIVSA-N	422.560	5.118	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1	734122921	NCDHZASEKIYWNA-UHFFFAOYSA-N	412.276	5.279	30	20	HKED	
CCCCCCCC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	736501461	RWQQYTYSRNDZTI-UHFFFAOYSA-N	406.526	6.004	30	20	HKED	
CC(C)c1ccc([C@@H](C)CC(=O)OCC(=O)Nc2ccccc2SCC#N)cc1	738742819	PCYITIAGQYOXJC-KRWDZBQOSA-N	410.539	5.101	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739591175	ULDAREWKYGHNCV-UHFFFAOYSA-N	419.531	5.171	30	20	HKED	
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)OCC3(CC#N)CC3)c12	744277199	ANTMDTGOMMHAJC-UHFFFAOYSA-N	415.371	5.068	30	20	HKED	
CC(=O)N(c1nc(/C=C2\CCCc3ccccc3C2=O)cs1)c1ccc(F)cc1F	745997226	FRTWZPRCDIRBCO-LFIBNONCSA-N	424.472	5.709	30	20	HKED	
Cc1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN(C)C[C@@H](C)C#N)c1=S	746706270	JZCOKPMBUWBMOP-HNNXBMFYSA-N	411.962	5.081	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)s1	750684561	RQNFUBRWECJVMP-JOYOIKCWSA-N	414.886	5.167	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl	752680347	WFZOJCRMAXJPLA-VLXJIEOASA-N	421.925	5.117	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1cc(Cl)ccc1OCC#N	754748427	JXOUTLWTXZXVNU-CYBMUJFWSA-N	415.921	5.664	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2COC(C)(C)CC)cc1C#N	757762882	XCMHVTKOAAXHIZ-UHFFFAOYSA-N	424.501	5.476	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	757874204	GYDAREDPTIUQKD-IBGZPJMESA-N	410.260	5.017	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)cc2)c1	758605032	WQEGFTXNEPMABL-KNQAVFIVSA-N	417.465	5.064	30	20	HKED	
N#C[C@@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1ccc2ccccc2n1	762019258	RNAXAYPREYCQQZ-HXUWFJFHSA-N	408.505	5.509	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(Br)cc2F)cc1OCCCC#N	767738461	XNHNUDPYPQSQMK-XBXARRHUSA-N	418.262	5.175	30	20	HKED	
Cc1oc(-c2ccsc2)nc1COC(=O)c1cn(CCCC#N)c2ccccc12	769542862	IGFPIYVTJIJKIT-UHFFFAOYSA-N	405.479	5.327	30	20	HKED	
C=C[C@H](Cc1nc(CC(=O)Nc2ccc(SC(F)F)cc2)no1)c1ccccc1	770936025	DJGQCPCQWXLOLU-CQSZACIVSA-N	415.465	5.078	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NCC(=O)Nc4ccc(CC#N)cc4)cc3C2)cc1	771681626	LATRECJVYWQZNS-UHFFFAOYSA-N	424.548	5.447	30	20	HKED	
N#C[C@H](COC(=O)c1ccccc1SCc1cscn1)Cc1cccs1	772738534	WXHZRMRVIWUXCP-CQSZACIVSA-N	400.550	5.036	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)CSCc1ccccc1	772970233	BCMHRYDYGGUFAS-UWJYYQICSA-N	408.567	5.028	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OC)cc1	776078268	WIMRNQAAYASDDP-RBUKOAKNSA-N	410.926	5.842	30	20	HKED	
CC(C)c1cccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)o2)c1	776519240	ZHMOWXZSWJZZHR-KRWDZBQOSA-N	406.869	5.685	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C(C)C)c1	776828048	OLCHOTVRKVJWQG-UHFFFAOYSA-N	404.510	5.021	30	20	HKED	
CCCN(C(=O)Cc1ccccc1CC#N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	776966675	KVLKYZNTMAQCMC-AREMUKBSSA-N	415.512	5.166	30	20	HKED	
COc1ccc(CNc2cc(F)c(N3CCCCC3)c(F)c2)cc1OCCCC#N	778645477	CBABIWBSVWONAX-UHFFFAOYSA-N	415.484	5.258	30	20	HKED	
N#CCOc1cccc(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)c1	779587549	BKKAQWBCWKIYOS-MRXNPFEDSA-N	404.310	5.073	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1	782552755	JLYYTLYUVZKQLE-JOCHJYFZSA-N	407.477	5.054	30	20	HKED	
CC(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1Cl	786448757	VTMIBTMLCSCAIT-MRXNPFEDSA-N	422.884	5.739	30	20	HKED	
Cc1c(Cl)cccc1NC(=S)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	787198679	NMCXKFXPXAXUSR-UHFFFAOYSA-N	412.946	5.040	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC(O)(c4ccc(-c5ccccc5)cc4)CC3)cc2)CC1	787665404	QQMBPEHBPLYCRO-UHFFFAOYSA-N	422.528	5.033	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=S)Nc1ccccc1C#N	789390196	ZVCMTIBRQVGAIA-UHFFFAOYSA-N	417.378	5.425	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CC(=O)[C@H](C#N)c1nccc2ccccc12)c1ccccc1	792093851	AZDQPCCULPVHPG-LEWJYISDSA-N	415.493	5.067	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2C[C@@H](C)CC[C@H]2c2ccccc2)c1=S	795700329	JDDOULVYLZEBLX-RXVVDRJESA-N	405.571	5.093	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1	796470173	SUFCHJRGBSTDSV-NRFANRHFSA-N	403.448	5.176	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	799915662	QAHNFANBDNITAS-UHFFFAOYSA-N	402.406	5.138	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc2ccccc21	800132587	JQLSTRQAWSDLPC-UHFFFAOYSA-N	407.779	5.012	30	20	HKED	
N#CCCCC(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	813077253	SZGBURMGUMDCHQ-UHFFFAOYSA-N	410.779	5.210	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1ncn(CCc2cccs2)c1=S	835025424	URUKFVZLFRPCEF-UHFFFAOYSA-N	411.021	5.079	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccnc(C(F)(F)F)c1	857480592	MHZQFSBAFBNYDR-GFCCVEGCSA-N	416.243	5.153	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916680603	LODLKIJDKMIFDL-QFIPXVFZSA-N	424.331	6.313	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2COC)cc1	916955068	MBTYUOKESMPZEB-HNAYVOBHSA-N	404.466	5.054	30	20	HKED	
Cc1ccc(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)s1	917042382	KXOIAMZOFCHYSY-ARJAWSKDSA-N	402.107	5.183	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCCC1)c1nc2ccccc2n1C(F)F	917042858	IBLOGSVYCDPCCC-MRXNPFEDSA-N	413.855	5.773	30	20	HKED	
C[C@@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)N(CCC#N)c1ccccc1	917240678	OEDUATATCXMTPQ-MRXNPFEDSA-N	422.868	5.092	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(Cl)cc4)CC3)n2)cc1	920143469	QAURBVAPJLGPBH-GOSISDBHSA-N	408.910	5.380	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	920267379	GYXSFCQHOYNIOK-HXUWFJFHSA-N	417.534	5.243	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1	1789957809	PXJYERNRTORTBF-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](c3ccccc3)C(C)C)CC2)C1	1824234878	BFWJSKINJBELNA-DQEYMECFSA-N	422.613	5.012	30	20	HKED	
Cc1cccc(C)c1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccccc1	11153620	CTZITDXOFBIIGK-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1	30039283	FRCIZJKSZYQEBI-UHFFFAOYSA-N	424.287	5.564	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cc(F)cc2cccnc12	31613053	LCOPNUHWJYMVOA-UHFFFAOYSA-N	424.476	5.162	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1	57888232	CEHGCALVVJNCHM-UHFFFAOYSA-N	419.472	5.049	30	20	HKED	
N#CC1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1	61584501	XRSYWVCKPXKMFT-UHFFFAOYSA-N	402.519	5.370	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1C(F)(F)F	65718505	COGWZNBNWNPDFB-CQSZACIVSA-N	414.383	5.240	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cc1	65869920	GOWYKLBDZLLMMI-UHFFFAOYSA-N	402.494	5.045	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1Cl	71891374	QLFJSBNSBJBMAK-UHFFFAOYSA-N	402.306	5.094	30	20	HKED	
N#C[C@H](C(=O)CSC1=Nc2ccccc2CS1)c1nc(-c2ccccc2)cs1	97568616	GSCHVOWFVYLNRP-MRXNPFEDSA-N	421.572	5.654	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	303399918	QPSIHXRVUQVQGH-GCJKJVERSA-N	423.582	5.113	30	20	HKED	
Cc1ccccc1[C@@H](C)CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	303708432	PLYAZZVIOXKAKZ-HNNXBMFYSA-N	408.552	5.143	30	20	HKED	
N#Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	429374296	VKCXGOPPDAAEPH-LBPRGKRZSA-N	404.303	5.540	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3csc(-c4ccc(C(C)C)cc4)n3)nc12	429598371	PZHBXWACVLASCR-MRXNPFEDSA-N	401.495	5.003	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)sc2ccc(C#N)cc12	429812469	UABJLKWPBHDNCL-KRWDZBQOSA-N	406.507	5.282	30	20	HKED	
CC(C)(C)c1noc(-c2ccccc2C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)n1	430642857	PLWRXBQTURFYAW-OAHLLOKOSA-N	408.527	5.278	30	20	HKED	
N#CCCC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccccc1	431626802	BUKDUIIXCKNKMJ-INIZCTEOSA-N	416.852	5.072	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCc4cccnc43)cc2Cl)c1	435736875	CCZGLTYMIBZKMN-HXUWFJFHSA-N	417.896	5.244	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)CC2)cc1	435944043	QQRQTSYQOMMXOQ-UHFFFAOYSA-N	409.514	5.429	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1SCc1ccccc1OC	436385570	ISFPUIPZUCDIPS-JTSKRJEESA-N	412.555	5.090	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1N1CCCCCC1	437687123	PCAUXIUEDXBYPY-GMAHTHKFSA-N	402.542	5.371	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(CCN2CCCCC2)cc1	437872355	OMDMFHTVLXRXRV-RPBOFIJWSA-N	416.569	5.019	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cnn1-c1cccc(C#N)c1	440075431	IWDBBFHVOMLHDM-IAGOWNOFSA-N	404.436	5.004	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1	463748632	XYLOSHVIIAXUAM-CQSZACIVSA-N	409.536	5.323	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c2cnn(C(C)C)c2n1	464421515	MMTUYEHHTJAVBH-OAHLLOKOSA-N	415.419	5.039	30	20	HKED	
CCOCCOCc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1C	465349402	ZYONJDNGDWFAKS-UHFFFAOYSA-N	414.505	5.339	30	20	HKED	
CCC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCOCC1	466606855	JTTVYKOBPNFKBB-UHFFFAOYSA-N	413.905	5.332	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)n1	469035927	QVOLLEWUVRMYAW-UHFFFAOYSA-N	422.554	5.900	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)c2)cc1	469470104	FUKSJBZWZLFDMG-UHFFFAOYSA-N	407.429	5.162	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCc3c(O)cccc32)cc1	475982230	HOVXMGHFNDWGSN-OAQYLSRUSA-N	414.461	5.123	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2cccs2)n1Cc1ccco1	479113958	GHOUIXVVIMFIES-UHFFFAOYSA-N	412.927	5.465	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1	483039923	KVRUDDXVLHCKAH-UHFFFAOYSA-N	422.120	5.265	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)sc21	483241545	WIGNEGCJLPPJFY-QGZVFWFLSA-N	423.501	5.137	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)n1	485110209	YPDLMMILEVHOCJ-UHFFFAOYSA-N	407.514	5.209	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1sc(C)c(C)c1C#N	485629057	FLTJPZVAVFTAQX-UHFFFAOYSA-N	405.401	5.471	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(NC(=O)CCN2CCCCC2)cc1	486243031	IPAMRJHCASSCHQ-UHFFFAOYSA-N	423.582	5.032	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1	486258044	NHEWPVBFEIWEKR-UHFFFAOYSA-N	419.984	5.873	30	20	HKED	
N#CCCCOc1cccc(CN[C@H]2CSc3ccc(Br)cc32)c1	486803019	PYGPZEQEZKUAFZ-SFHVURJKSA-N	403.345	5.068	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccc1	487174119	CDWRMFAMVIUCQB-QRVBRYPASA-N	402.416	5.240	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)N[C@@H](CCCC#N)c3ccccc3)c2c1C	487469837	GVJTVKJIZYXHHA-SFHVURJKSA-N	424.595	5.342	30	20	HKED	
Cc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)sc2ccc(C#N)cc12	487473865	NVMPOWNPUBGTHN-UHFFFAOYSA-N	400.488	5.329	30	20	HKED	
Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	491575640	RSVCEWZXQWZFEM-GCJKJVERSA-N	423.582	5.184	30	20	HKED	
Cc1ccc2nc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2c1	497441498	HZKMYMRUJCMEDN-AWEZNQCLSA-N	405.429	5.435	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2Nc2ccc(F)cc2)cnc1C(F)(F)F	498122152	BGCGNSVUUAUEGI-UHFFFAOYSA-N	400.335	5.107	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1	500457819	UNJQCSCUJYBQAO-FQEVSTJZSA-N	420.582	5.198	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C	503370709	AMZXJXHJGBZWDG-MCFFVMPBSA-N	413.974	5.055	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	505022236	BRHIJQDDHNQLJX-IBGZPJMESA-N	420.488	5.406	30	20	HKED	
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1	505088366	YLKHNGHREQIEIQ-HTXNQAPBSA-N	411.505	5.154	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Cl)c(Cl)c1	505911146	ATNXZOXETDZGSO-AWEZNQCLSA-N	408.335	5.102	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C	507632043	CELUPKXBOGDKNM-SNVBAGLBSA-N	409.374	5.632	30	20	HKED	
C=CCn1c(Sc2nc([C@@H](C)OC)ns2)nnc1-c1ccc(C(C)(C)C)cc1	509715170	UROZAIVNFPPEDK-CYBMUJFWSA-N	415.588	5.139	30	20	HKED	
CCc1ccc(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	511499046	QURHSJKSICSNKC-UHFFFAOYSA-N	412.493	5.037	30	20	HKED	
CC[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)s1	513010810	KVUOFEKXMNYDLW-STQMWFEESA-N	421.975	5.002	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	516270691	NYWPTYHAJNLGDF-SFHVURJKSA-N	410.458	5.135	30	20	HKED	
CCSCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	516466281	ZMUKIDMLBRNECT-GOSISDBHSA-N	412.967	6.207	30	20	HKED	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1SCCC#N	517439965	ALFUXVWJMMVRGW-SFHVURJKSA-N	402.519	5.765	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(OC2CCCCC2)c1	518165970	RSYRVDNSUUVXBT-QGZVFWFLSA-N	424.570	5.367	30	20	HKED	
COCCn1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc21	519511026	FQKOEYVSKSAXSA-UHFFFAOYSA-N	411.461	5.204	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Oc1ccc(F)c(F)c1	520099433	JCGFVDLCPBGDFY-INIZCTEOSA-N	424.422	5.285	30	20	HKED	
C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccc(C#N)cc1	522822149	FVAPKYAGEHFSLC-INIZCTEOSA-N	402.548	5.645	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1	537372185	ZZEABTJEALPTKO-LEWJYISDSA-N	423.523	5.023	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccc(-c3ccccc3OCC)c2)cc1	537859222	XTLQSHURSPNMJI-UHFFFAOYSA-N	414.505	5.711	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	539128177	XEEQVESZVBVRCB-GOSISDBHSA-N	414.509	5.172	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1	540311136	LSTBVKIUKCYRSJ-AREMUKBSSA-N	418.500	5.209	30	20	HKED	
C[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(C#N)c(F)c1	540707649	LXERSDAZURSELF-OAHLLOKOSA-N	406.423	5.115	30	20	HKED	
CC(C)C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	540843676	HIJULHYPMAWWLV-BJKOFHAPSA-N	423.532	5.003	30	20	HKED	
Cc1cc([C@@H](NCc2ccc(-c3ccccc3C#N)cc2)c2cccnc2)ccc1F	541565840	WBKDIRDYDXVVJV-HHHXNRCGSA-N	407.492	5.947	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1ccccc1Br	543067477	SODCUSQYNYAAJJ-AWEZNQCLSA-N	417.372	5.617	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)NCc1nnc(-c2ccc(C#N)cc2)o1	543455267	SNNRSBSIVCLEKU-FQEVSTJZSA-N	400.507	5.052	30	20	HKED	
C=C(C)[C@H](Cc1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1)OCC	546320095	AXUYIZMVFQXOPU-QHCPKHFHSA-N	414.509	5.172	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1	549007165	QNCJCAYHPAIHCJ-UGSOOPFHSA-N	403.309	5.317	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1	553063406	ROXPMJPGKQZLBU-GOSISDBHSA-N	423.586	5.035	30	20	HKED	
F[C@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2ccc(OCC(F)(F)F)cn2)n1	568563549	CHBPQDCSWHQGEG-CYBMUJFWSA-N	421.272	5.150	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(CCC2CCCCC2)o1	589273870	KAFHUYHVLFNRKY-MRXNPFEDSA-N	419.616	5.339	30	20	HKED	
N#Cc1c(NC(=O)c2ccccc2SCc2cccs2)sc2c1CCCC2	590612752	CGTKAIOMLRHNTL-UHFFFAOYSA-N	410.589	6.105	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc2cc(F)ccc2s1	592974770	ZEDKVXRYRYORAJ-OAHLLOKOSA-N	406.463	5.218	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCCCSc3ccccc3)cn2)c1	603692821	ODPHNBHLQFOCCK-UHFFFAOYSA-N	404.495	5.049	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21	604506238	RQSVOXNBHKQHDP-OAQYLSRUSA-N	413.468	5.159	30	20	HKED	
CCOc1ccccc1[C@@H](CC)NC(=O)c1occc1COc1cccc(C#N)c1	608807793	PIMFAOWHAFYXQG-OAQYLSRUSA-N	404.466	5.010	30	20	HKED	
N#Cc1cnc(NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)c(Cl)c1	608885998	JQJLJOBXYSHSEP-UHFFFAOYSA-N	420.900	5.016	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)c1	609064283	ZFIPNLZQUXIYAY-ZWKOTPCHSA-N	402.416	5.444	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(Cl)c1	609078770	MZIFAIWPGPQQAQ-UHFFFAOYSA-N	405.885	5.421	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3F)CC2)cc1	609147743	ZMYMBCGPDOPHDD-UHFFFAOYSA-N	415.468	5.440	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1	609299336	JDNATZINGLWBTN-RUZDIDTESA-N	423.447	5.404	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1	609430976	GZRKFUKJCHSXRP-SFHVURJKSA-N	402.519	5.912	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)c(F)c1	609557118	LGCIHPMIDPBGTI-VWLOTQADSA-N	409.464	5.439	30	20	HKED	
Cc1ccc(CN(C(=O)N[C@H](C)c2cccc(C#N)c2)[C@@H]2CCc3ccccc32)cc1	610406894	MIYIECGKWWSQOZ-FQRUVTKNSA-N	409.533	5.827	30	20	HKED	
CC(C)(CCC#N)CN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	611271484	CVDZULQECQJQIC-HSZRJFAPSA-N	410.606	5.505	30	20	HKED	
C=CCC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(C(F)(F)F)cc1	611406938	FLXITNJOHLNPJP-INIZCTEOSA-N	405.376	5.552	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccccc2n1C(F)F	613401522	AWWKYYRDHANTMI-SFHVURJKSA-N	403.388	5.714	30	20	HKED	
COc1c(F)cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	615554274	LOFCUUXLHJZHED-BRPSZJMVSA-N	420.300	5.004	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1	618892985	ULBKUUYTYILZME-QHCPKHFHSA-N	409.514	5.140	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1	642157160	IYBBMZGBKJXDBQ-UWVGGRQHSA-N	423.275	5.225	30	20	HKED	
CC(F)(F)c1ccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	644650283	HHZGWKRMXDWYNP-ITGUQSILSA-N	403.313	5.438	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccccc1	645077618	BYNHHZFHUISPKQ-OAHLLOKOSA-N	421.501	5.482	30	20	HKED	
FC(F)c1cc(N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c2cc(Cl)ccc2n1	673438246	IMWDZZPOJBBSHU-NXEZZACHSA-N	418.715	6.003	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccco4)s3)n2)cc1	675920631	UKCHVHGDCDISPL-HNNXBMFYSA-N	406.488	5.630	30	20	HKED	
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C=Nn2cnnc2-c2ccccc2)cc1	725856084	LBORIEXNODLPRG-UHFFFAOYSA-N	419.828	5.181	30	20	HKED	
N#Cc1cccc(CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1	728152120	QTEXFWBJAUEWAK-UHFFFAOYSA-N	416.480	5.735	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccccc2OC(F)F)ccc1OCC(F)(F)F	728694617	CZQBEEXVRQYCFB-VURMDHGXSA-N	402.315	5.134	30	20	HKED	
C#Cc1ccc(C(=O)N(CCC)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	728800906	IMMVORVGHMLZNS-UHFFFAOYSA-N	416.333	5.550	30	20	HKED	
CCC(CC)(C(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)c(Cl)c1	728867806	OOVFZUGQEHZAQD-UHFFFAOYSA-N	405.325	5.270	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	731400541	QUHPRKKQWYGGIZ-KRWDZBQOSA-N	421.522	5.614	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccccc3)ccc2Cl)c1	733771368	NRHXQQCDMROVFX-FQEVSTJZSA-N	404.897	5.618	30	20	HKED	
CC(C)(C)c1ccc(CCCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	734081137	DXVGCUKDVMDAKM-OAQYLSRUSA-N	417.578	6.092	30	20	HKED	
COc1ccc(-c2cc(CSCc3cc(Cl)ccc3OCC#N)on2)cc1	735317961	HRQWVXUEUOIJSG-UHFFFAOYSA-N	400.887	5.339	30	20	HKED	
O=C(Nc1ccccc1SC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	735366752	GLBIMEMBBWVBQI-UHFFFAOYSA-N	408.314	5.350	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	739154020	AVDFBASVEOVKDM-RISCZKNCSA-N	406.404	5.509	30	20	HKED	
CC(=NOCc1ccccc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F	742463406	YBYPYRHSUSJKNH-UHFFFAOYSA-N	413.346	5.313	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1nc(Cc2ccccc2)no1	743473087	ARNORHGGFXYPCK-GOSISDBHSA-N	410.477	5.284	30	20	HKED	
Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	748128093	UBAXAARFRZABQE-UHFFFAOYSA-N	402.519	6.099	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)noc1C(F)(F)F	750181514	SGYKATBZTQLEGU-UHFFFAOYSA-N	401.344	5.227	30	20	HKED	
Cn1c([C@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)nc2ccccc21	751823886	VXLVTFQDZXQOAI-MRXNPFEDSA-N	420.925	5.134	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCOc2ccc(Br)cc21	753141909	JSXLJRNEMIVCEJ-LCYFTJDESA-N	413.296	5.016	30	20	HKED	
O=C(/C=C\c1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1)c1ccc(Cl)nc1	759082475	FIRORCHEDIKSHW-VTBWALSUSA-N	409.272	5.576	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cn(-c2ccccc2)nn1	760471999	ZXVDWZWEFSYXKP-KRWDZBQOSA-N	413.456	5.030	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1	762998493	DMGJDSNQDVZEBC-QFIPXVFZSA-N	402.519	5.221	30	20	HKED	
CC(=NNc1c(F)cc(C(=O)NC2CC2)cc1F)[C@H](C)c1nc2ccccc2s1	763187547	CUDZRJOUUOAQTB-NSHDSACASA-N	414.481	5.058	30	20	HKED	
Cc1cc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c(C)n1-c1ccc(C#N)cc1	766004601	XSEDWASERHJPMG-RUZDIDTESA-N	424.479	5.019	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)C1	766618936	XBAGWODQUDPKSF-KURKYZTESA-N	417.500	5.763	30	20	HKED	
CC(C)(C#N)CCCCSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1	767033544	SPIZPETYPJCMBW-LTGZKZEYSA-N	421.541	6.023	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cncc(Br)c3)s2)cc1	767362565	TXEKADVJBZNUED-FPYGCLRLSA-N	415.312	5.181	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2c(F)cccc2F)cc1	767868320	DFAAGYAJOGQCGO-GOSISDBHSA-N	414.415	5.263	30	20	HKED	
CC(C)(C)n1cc(/C=C2\CCc3nc(O)ccc3C2=O)c(-c2ccccc2Cl)n1	769616489	ZGRRKLUKQPHPLP-WYMLVPIESA-N	407.901	5.272	30	20	HKED	
N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccc2ccccc2n1	769786365	AJPVNSXYPOTONN-FDIDWWNZSA-N	400.787	5.710	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1	773090192	DDPFCBUNQUDKJP-IIBYNOLFSA-N	418.459	6.020	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)cc1	776833828	WEBGBQUDHRRGKA-ZWKOTPCHSA-N	424.932	5.387	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3cccc4cnccc34)SC2=S)cc1Cl	782881651	VUQRPEQPUWFZOL-QGMBQPNBSA-N	407.907	5.166	30	20	HKED	
O=C(/C=C/c1ncc(C(F)(F)F)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	788353892	JVUIBJIVQVDOOQ-IYNGYCSASA-N	415.408	5.145	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1nc(O)c2c3c(sc2n1)CCCC3	796752822	JUIQAPURYXDOKN-LJIGWXMPSA-N	409.555	5.058	30	20	HKED	
COc1cc(C(=O)/C=C/c2cnn(Cc3ccccc3Cl)c2)ccc1OC(F)F	797121386	IIPLMCCMQYODTE-SOFGYWHQSA-N	418.827	5.091	30	20	HKED	
Cc1c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n[nH]c1C1CC1	806212659	WWXGJIVZGKXBSW-GOSISDBHSA-N	405.889	5.548	30	20	HKED	
Cc1cc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)cc(C)c1OCc1ccccn1	806563011	QQIPYOSBZNKVMG-FMTUWFKASA-N	413.473	5.116	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4cccc(F)c4)CC3)cc2)ccn1	810282356	UIZNNEADUNSGFO-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H](C)c1ccc(F)c(Br)c1	813153796	WFRVXEDTOAIKLZ-OLZOCXBDSA-N	405.267	5.011	30	20	HKED	
CCCCc1ccc(NC(=O)C=NOCC(=O)Nc2c(C)cccc2C(C)C)cc1	850350137	OWCDNVORDYJKAW-UHFFFAOYSA-N	409.530	5.041	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc([C@H](O)C(F)(F)F)cc2)cc1OC	864043551	LWEADDZKOKEUHU-SFHVURJKSA-N	401.812	5.121	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c2ccccc21	904613285	BJJWYCABCMRPGO-UHFFFAOYSA-N	411.509	5.652	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)ccc1OCc1ccccc1	915993497	RNOCKLOXBMTFPF-KPKJPENVSA-N	413.473	5.055	30	20	HKED	
O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1ccc(Cl)c(Cl)c1	916137145	PUDGNENCHFRKJT-VURMDHGXSA-N	413.304	5.274	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1ccc2ccccc2n1	916848681	GGBKVYUEAAHQJW-CXSQMQJXSA-N	400.787	5.797	30	20	HKED	
CCCCCNC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1	916877047	AHROXLBKPHXWKZ-KAMXEHQASA-N	400.931	5.097	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)cc1	916913680	RDZIGDUEMHDIRS-NRFANRHFSA-N	418.518	5.256	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2ccc(Cl)cc2)cc1	916948022	RCQWUMOTSJSCAJ-FOIQADDNSA-N	410.901	5.164	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C)o3)n2)cc1	916951244	XYPXZUFMESXTGD-LIRRHRJNSA-N	421.522	5.115	30	20	HKED	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917043534	MRIZCIQLCZJNOT-RHSMWYFYSA-N	411.452	5.373	30	20	HKED	
COc1ccc2c(c1)CC/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O	917561928	BNIUPNDVCYEJHG-LFIBNONCSA-N	422.481	5.188	30	20	HKED	
COc1ccc(C(=O)CCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	918126881	HAWZYCWOJJTFCN-XMMPIXPASA-N	412.489	5.342	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cccc4OC)CCC3)cc2)C1	1785808693	BARBGDDIXVDCNP-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1	1791577586	QQCWVLPFOZCFPD-GFCCVEGCSA-N	423.365	5.059	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](c3ccccc3)C(C)C)CC2)C1	1824234882	BFWJSKINJBELNA-LOSJGSFVSA-N	422.613	5.012	30	20	HKED	
C=C(C)CNC(=S)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1	7101608	QBXDPOKZZAZMAB-UHFFFAOYSA-N	402.563	5.723	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	44518970	GFKUMORMXOHGDV-GDBMZVCRSA-N	403.404	5.361	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	47565617	CZQNFTVCJCGEMY-JOCHJYFZSA-N	414.896	5.531	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c12	55570383	CQHASBSBAJFOHN-UHFFFAOYSA-N	404.470	5.158	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(CN(C)C)cc1	56572143	LOAXPCRHSVPWKK-UHFFFAOYSA-N	414.509	5.042	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1	56637673	JKXGIWKEACOPOJ-GOSISDBHSA-N	409.505	5.060	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1	56757921	QPOFURGIBAEVHX-INIZCTEOSA-N	413.468	5.004	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1	58415776	IXYXUZFDFZOXOH-UHFFFAOYSA-N	415.493	5.340	30	20	HKED	
Cc1cc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2ccccc12	303263417	FRTIIIPXFSGHRX-HNNXBMFYSA-N	407.564	5.526	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	303592283	IAOWHMRYRPPSST-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
N#C[C@@H](C(=O)c1coc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	303810026	NJVAZVOMLYDHON-INIZCTEOSA-N	405.866	5.609	30	20	HKED	
CC(C)c1ccc(N2CC[C@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2=O)cc1	303848444	FGFIIZQZQGDJEP-FXAWDEMLSA-N	421.566	5.053	30	20	HKED	
Cc1cnc(-c2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[nH]1	427183504	AYHGORHLOVFZNP-UHFFFAOYSA-N	412.424	5.441	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	431677909	XVISXVBEEORHDV-MJGOQNOKSA-N	418.006	5.152	30	20	HKED	
N#CCCC[C@@H](NCc1cc(Br)ccc1OC(F)F)c1ccccc1	433011661	PLPVFZLYWPEIRC-QGZVFWFLSA-N	409.274	5.575	30	20	HKED	
N#C[C@@H](C(=O)c1occc1Br)c1nc(-c2ccc(Cl)cc2)cs1	435460233	QOIFJFOEXKFTRM-NSHDSACASA-N	407.676	5.309	30	20	HKED	
COCCc1nc2cc(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2o1	440367844	QRTMUCJZJFFMOZ-AWEZNQCLSA-N	410.499	5.055	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)o2)cc1	442668222	CUVGPYMBVOXHIS-SFHVURJKSA-N	402.498	5.052	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ncoc3-c3ccc(C)cc3)n2)cc1	442857993	HIBNCBMZNXBIRK-GOSISDBHSA-N	415.474	5.272	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F	444463229	AGOLYGSECFUOTL-CYBMUJFWSA-N	417.375	5.058	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(-c2nc(COCC(F)(F)C(F)F)no2)cc1	445761293	ZBXIQFLQGOEPNP-UHFFFAOYSA-N	421.350	5.126	30	20	HKED	
COc1ccc(F)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	447141663	BUSJEUUYHNOGBH-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
COc1ccc2sc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c(C)c2c1	461112222	JEWRBKQXFQTCRB-HNNXBMFYSA-N	405.306	5.520	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1sc(Cc2ccc(F)cc2)nc1C	461716426	OTQWFKYQUFWZKL-UHFFFAOYSA-N	408.502	5.127	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCN(Cc2ccccc2)C1	475012297	CXDVFYPJPRIRBJ-PZJWPPBQSA-N	422.598	5.209	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cc2cccc(F)c2o1	475700561	JUNDTOLRNMTYBU-CABCVRRESA-N	411.502	5.113	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc(Cc2ccccc2F)s1	476510566	DGCRYNACZJQZPC-AWEZNQCLSA-N	411.527	5.520	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C	480830270	SWLJQVHBVAITIG-HNAYVOBHSA-N	417.431	5.854	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@]2(C1)OCc1ccccc12	482469616	SQMASMMOXDMRLV-AREMUKBSSA-N	410.473	5.012	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2s1	483231770	JHHQBAIFJYCXCI-HNNXBMFYSA-N	406.536	5.242	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](C)Cc1ccccc1C(F)(F)F	484661861	BTHOFPDYSKSVQM-INIZCTEOSA-N	400.444	5.354	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H](C#N)c1ccccc1Cl	485654172	LDDCIFCKNLZFKR-MRXNPFEDSA-N	419.790	5.317	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	485655702	XSINWAJDNKGLHN-INIZCTEOSA-N	419.790	5.317	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSc1nc(C(F)(F)F)ccc1C#N	488823994	XBOGOBGSBAGJNI-LBPRGKRZSA-N	419.428	5.030	30	20	HKED	
C=CCn1c(SCc2ccccc2C(C)(C)C#N)nnc1-c1cccc(OC)c1	488920830	RCGHIAZUKQKWLU-UHFFFAOYSA-N	404.539	5.233	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)c1cccc(OCc2ccccc2C#N)c1	494128194	URLJSJMUTAGFAN-UHFFFAOYSA-N	413.502	5.019	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Cl)cc3OCC(F)F)CC2)cc1	497534250	LXXRDTQKSXTYLT-UHFFFAOYSA-N	417.843	5.177	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1)c1ccccc1	500118356	WLTTWRAXDUXQFS-FQEVSTJZSA-N	418.497	5.415	30	20	HKED	
C[C@H](SCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1	505540574	PLBODYZWKNYNOZ-MEDUHNTESA-N	419.337	5.045	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505823673	IUCJGHAGOFIWQB-UHFFFAOYSA-N	400.372	5.013	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	505875465	WNLRBMAQCOYBLX-QGZVFWFLSA-N	400.366	5.900	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21	506383249	ALBUJZAXJYOWJS-OXQOHEQNSA-N	423.586	5.592	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	507463077	HLZQKEFIUQZFJH-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3SC3CCCC3)CC2)c(F)c1	508343255	QKKIOYWZPSVPFW-UHFFFAOYSA-N	424.545	5.086	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(OC(F)F)cc1	510521503	DJWZJTZGRHOJSO-UHFFFAOYSA-N	423.419	5.582	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Sc2ccccc2)cc1C	512855991	KSSGYHTUUDGFET-UHFFFAOYSA-N	404.491	5.044	30	20	HKED	
CC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)s1	513010807	KVUOFEKXMNYDLW-CHWSQXEVSA-N	421.975	5.002	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccn3Cc3cccs3)n2)cc1	516074444	UZWLBRKBNGPEHC-SFHVURJKSA-N	403.532	5.520	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C)(C2CC2)CC1	516516470	SUNTVPPVCAXLPF-UHFFFAOYSA-N	403.526	5.490	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3-c3cccs3)CC2)c1	517114916	DUDYWCWIINVFDS-UHFFFAOYSA-N	403.507	5.362	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1	520924288	STESUYDIELDQFQ-AWEZNQCLSA-N	423.563	5.774	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	521243884	BVRNQIXNAANNDR-JWQCQUIFSA-N	412.489	5.082	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1	522647052	SVDXMENIWDFVPC-CWTRNNRKSA-N	408.354	5.248	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1	524284056	JVGTVMVTSNRLAT-UHFFFAOYSA-N	419.550	5.094	30	20	HKED	
CSc1ccc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	526035934	FGEISARBHDJBKK-OAHLLOKOSA-N	402.610	5.532	30	20	HKED	
C[C@@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1	530435764	NIDIAJNOTOVCPH-OPAMFIHVSA-N	406.327	5.350	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H](N3CCCC3)CC2)cc1Cl	536399901	KHLNQVWOZONLIO-FQEVSTJZSA-N	423.944	5.094	30	20	HKED	
CCOc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1OC(F)F	536679781	NDCFBWQQJDYEDS-UHFFFAOYSA-N	407.301	5.003	30	20	HKED	
Cc1cc(CN(C)C(=O)c2ccc(C3(C#N)CC3)cc2)cc(C)c1OCC(F)(F)F	537428572	FNXWLDQRGZEJJT-UHFFFAOYSA-N	416.443	5.072	30	20	HKED	
CC(C)(C)OCc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	540250758	RVZFUVPBQVYHKK-UHFFFAOYSA-N	405.523	5.173	30	20	HKED	
Cc1ccnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1	543053021	UJQPWDKKXUNBPT-ZDUSSCGKSA-N	417.275	5.216	30	20	HKED	
C=CCC[C@@H](NCc1ncc(Br)cc1Br)c1ccccc1	544407690	IUGGHPCHZBLRMF-MRXNPFEDSA-N	410.153	5.404	30	20	HKED	
Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1	553392423	UGNPABYROCBTGJ-IBGZPJMESA-N	422.872	5.063	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](OC)c1ccccc1	554896781	UNUYEPHBUXNJHW-LJQANCHMSA-N	415.946	5.176	30	20	HKED	
CC(C)(C#N)c1ccccc1CNC1(Cc2ccc(F)cc2Cl)CCOCC1	555696667	KSMTVXULAWDWFC-UHFFFAOYSA-N	400.925	5.162	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(CC(F)(F)F)CC1	560824550	NGBSIUIGJVSMGU-UHFFFAOYSA-N	404.457	5.514	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)c(F)c1	563986111	OPNLYDDGROMATP-UHFFFAOYSA-N	415.468	5.125	30	20	HKED	
CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	568809975	FMGQJARPKNDTTE-MSEWRSJXSA-N	401.432	5.495	30	20	HKED	
C=CCCC1(c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)CC1	571123220	RYVWMCDOZHNRKA-UHFFFAOYSA-N	404.495	5.036	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2c1CC(=O)CC2	576737206	YSLLMWCSVQCYHI-UHFFFAOYSA-N	418.440	5.021	30	20	HKED	
Cc1cccc(Oc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cn2)c1C	576772327	HRKZGAOGYXIIKK-UHFFFAOYSA-N	412.371	5.029	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@](C(=O)O)(C(F)(F)F)C1	578833459	VSTAGCDOIVCQTC-AMIZOPFISA-N	423.275	5.124	30	20	HKED	
N#CCCN(C(=O)c1sc2ccccc2c1Br)c1ccc(F)cc1	580987459	BACQRRXWEGADOO-UHFFFAOYSA-N	403.276	5.363	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	588879347	XNQMDDLBMKQBKP-UHFFFAOYSA-N	415.468	5.174	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(-n3cccc3)c2)cc1	604003647	JVSALBLLGUEPRA-UHFFFAOYSA-N	407.473	5.375	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c1C#N	609216104	HANQXNMBUIKQMJ-UHFFFAOYSA-N	403.507	5.020	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc2ccccc2s1	609377758	FABJGDWIJZKBJG-CQSZACIVSA-N	413.593	5.420	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	609439113	ZIADEDBGTHWPAL-UWJYYQICSA-N	409.555	5.849	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4c(s3)CCCCCC4)cc2)nc1	609501831	FFLYOWWSIALFBU-UHFFFAOYSA-N	404.495	5.113	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CSc2ncc(C(C)C)n2C(C)C)ccc1Cl	610034225	ZTNXWJNVTNZMFY-UHFFFAOYSA-N	418.994	5.588	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccc(C#N)c1	610358062	XZFKPMPKITUDGB-QRQCRPRQSA-N	407.876	5.501	30	20	HKED	
CC(=O)c1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	611871989	LRIXUXKEAWWQTL-JOCHJYFZSA-N	402.881	5.379	30	20	HKED	
Fc1ccc([C@H](NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2cnccn2)cc1	680337635	YVSDUBVZPYYIGD-DCGLDWPTSA-N	421.360	5.204	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	727627175	BGTYWSOLDHPGBA-SFHVURJKSA-N	411.452	5.419	30	20	HKED	
COc1ccc(-c2cc(C(=O)OCc3ccc(OCC#N)cc3)c3ccccc3n2)cc1	733384466	JWWNOLOVZHSTDF-UHFFFAOYSA-N	424.456	5.170	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1	733773154	RUKPPIIZJVGRBC-QPPBQGQZSA-N	416.546	5.517	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1	735171375	AKJBDHYEIWJNND-HSZRJFAPSA-N	412.468	5.327	30	20	HKED	
CSCCc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740449254	VGTJJABIGWFAPJ-UHFFFAOYSA-N	407.564	5.514	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)cc1OC	741294575	FGYLWJIQCYBRGT-MOJYJUKOSA-N	405.450	5.233	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc1	741469157	JZNGIWAZINXSMO-KPKJPENVSA-N	402.446	5.038	30	20	HKED	
C/C(=C/C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1C(F)(F)F	741926002	ZOBKUNUCYNNHEW-SSZFMOIBSA-N	414.427	5.050	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)cc1	742513025	YYOWVGZAUGNELN-OWBHPGMISA-N	403.404	5.055	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2ccccc2Oc2ncccc2C#N)c1	742984051	DTSGEMKNWVYOCV-UHFFFAOYSA-N	410.886	5.216	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN(C)[C@@H]2CC[C@@H](SCC)C2)c1=S	743398364	DNATVKUTLYFUHG-RTBURBONSA-N	402.633	5.139	30	20	HKED	
CC(C)(C)c1ccc(CCCCC(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cc1	744933151	PZTZSCQWCJJFDI-UHFFFAOYSA-N	417.509	5.362	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	745947638	HRRSVHOVOFFPAA-KXBFYZLASA-N	410.926	5.745	30	20	HKED	
N#Cc1cc(CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)ccn1	746598049	QAXPHUONBGUHQQ-UHFFFAOYSA-N	407.496	5.155	30	20	HKED	
C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1	747623995	PCTUPRROHNRGEK-UHFFFAOYSA-N	403.309	5.069	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Oc2ccccc2)o1	749025010	AIFUVEPNNONURQ-MRXNPFEDSA-N	415.232	5.340	30	20	HKED	
O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(C(F)(F)F)cn1	750200183	AKSNCUJAZZKRBC-GFCCVEGCSA-N	417.227	5.580	30	20	HKED	
Cc1noc(C)c1[C@@H](C)C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	750399142	ZFYUOAKBXYRZFN-MMQUZAJASA-N	409.555	5.196	30	20	HKED	
CC[C@@H](C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	750683457	DIQCVTKCYAKCMG-WBMJQRKESA-N	405.281	5.132	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1	750684575	RXMTUZHQYVFXJO-QARUFBMTSA-N	407.684	5.398	30	20	HKED	
N#C[C@@H](C(=O)CN1CCCSc2ccc(Cl)cc21)c1nc2ccccc2s1	750840934	ZPYYYXCEICYEHN-AWEZNQCLSA-N	413.955	5.128	30	20	HKED	
CC(=O)Nc1ccc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	750910306	QRHOMSGMMOAAIK-DAXSKMNVSA-N	401.306	5.579	30	20	HKED	
O=C(O)COc1ccc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	750916020	JXXQUCUXDWRBSH-ZZXKWVIFSA-N	418.289	5.084	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccccc2Cl)cc1	752185771	PGHLLKXZWSYTFM-HXUWFJFHSA-N	405.885	5.196	30	20	HKED	
CC(C)(C)c1nc2ccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2s1	761870996	GVDOFBBIBBQBRR-IBGZPJMESA-N	420.538	5.071	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3cc(F)ccc3F)n2)cc1	762053178	YGJKZODEAQHBSW-SFHVURJKSA-N	412.461	5.296	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(C)Cc2c(CC)oc3ccccc23)c1=S	764863910	HBEWTUKSNHEDFB-UHFFFAOYSA-N	419.554	5.060	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12	766842093	QISRCNZUFHUVHG-LJQANCHMSA-N	410.395	5.139	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1cc(C#N)cc(Cl)n1	768381843	NLSYCSKNMMYAQB-UHFFFAOYSA-N	413.312	5.074	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	772982270	BKFVGZZTELQZGC-OXQOHEQNSA-N	421.566	5.659	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(SC(F)F)c(OC)c2)c1	772985772	YLTZEJMFPAVPGC-YOEHRIQHSA-N	406.498	5.542	30	20	HKED	
CC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cc(F)cc(Br)c1	776809604	ROUFJPVWHBYMNP-HXUWFJFHSA-N	404.327	5.179	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1NC(=O)c1ccccc1	777314449	RTXWNVYQPZJLPC-GOSISDBHSA-N	410.473	5.412	30	20	HKED	
C[C@@H](N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)cc1F	779082223	KLUGSHRPWVPVFX-IVZQSRNASA-N	409.505	5.773	30	20	HKED	
O=C(/C=C\c1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1)c1ccnc(Cl)c1	779459552	BVBBJCPZYKLCQC-PEPZGXQESA-N	409.272	5.576	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Br)c1Cl)c1c(Cl)cccc1Cl	780024193	RCIKSSVDPFRPPC-LBPRGKRZSA-N	418.505	5.404	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)nn1-c1ccc(Cl)cc1Cl	780170588	XXICDICICQKZFE-CYBMUJFWSA-N	415.280	5.031	30	20	HKED	
C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc2sccc2s1)c1ccc(Cl)cc1Cl	787049182	KEVJWIGBYMZOBE-BXKDBHETSA-N	423.346	5.469	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3ccc(C#N)cc3Cl)c21	788360792	NROPNWCZVJPIBB-CSKARUKUSA-N	408.885	5.405	30	20	HKED	
COC[C@H](C#N)OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	796014297	FSYDGWRWCLQLHN-NSHDSACASA-N	400.645	5.134	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2c(F)ccc(C)c2Br)cc1OC	797365725	ICUDPUPQLYQESB-JXMROGBWSA-N	420.278	5.122	30	20	HKED	
C#C[C@H](NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1)c1ccc(Cl)cc1F	805776474	SFGJWQRCCUWTGK-LRDDRELGSA-N	401.894	5.166	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1sccc1C)C(=O)c1ccccc1	810238731	MAAIQAUIQNULSY-LTGZKZEYSA-N	403.547	6.086	30	20	HKED	
O=C(/C=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1c(Cl)nc2sccn12	811691606	OQWAJIABBIUXIH-UPHRSURJSA-N	402.646	5.160	30	20	HKED	
N#C[C@@H](C(=O)CCn1c2ccccc2c2ccccc21)c1cc(C(F)(F)F)ccn1	813218719	SDRPRJRRSUTIBG-GOSISDBHSA-N	407.395	5.475	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	916697520	NHHFONOGNYCDAT-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)c1	916897488	MPHASYVROMSCLO-LBPRGKRZSA-N	403.290	5.478	30	20	HKED	
N#C[C@H](C(=O)COc1ccccc1-c1ccccc1)c1nc2cc(Cl)ccc2s1	917043016	FUKMBRPBEJEFFS-GOSISDBHSA-N	418.905	5.872	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SC(F)(F)F)c1nc2cc(Cl)ccc2s1	917046872	MYWXTRRUWIVTOR-NSHDSACASA-N	412.845	6.052	30	20	HKED	
Fc1ccc2c(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)c[nH]c2c1	917537646	OUNIZEQGFNLSEO-UHFFFAOYSA-N	406.273	5.043	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	918681116	DGTGXFZGZDMEEB-UHFFFAOYSA-N	411.870	5.053	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)c1nc(C(=O)OCC)cs1	920326875	BZBXLNBKHGNFTL-FLVLSHQESA-N	422.506	5.298	30	20	HKED	
N#C[C@H](COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)Cc1ccc(F)cc1	920879957	PEMVZMRCCNVVRQ-OAHLLOKOSA-N	414.889	5.071	30	20	HKED	
Cc1ccccc1CN(Cc1ccc(C#N)cc1Cl)c1ccc2nc(O)[nH]c2c1	1653642885	KNXSKKUCIJKHKA-UHFFFAOYSA-N	402.885	5.309	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)CCC1	1791532423	LNJPPZYEWGUKBW-DNQXCXABSA-N	414.549	5.118	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1	1825874934	DHHLPQFGMVAEBF-QFIPXVFZSA-N	414.590	5.122	30	20	HKED	
C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1	1832699402	CEDNRYWXUXDNBO-RUZDIDTESA-N	416.565	5.163	30	20	HKED	
C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)s1	22347076	INWNOTSZAMJJSR-CQSZACIVSA-N	412.540	5.048	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2cccc(C)c2)cc1	22731401	RITPQSJVQHYRMJ-UHFFFAOYSA-O	411.572	5.102	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1	25438031	QMTSNUGYGZJHQT-UHFFFAOYSA-N	401.304	5.048	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	30368109	HQPYNNAGEYMNCJ-UHFFFAOYSA-N	416.546	5.564	30	20	HKED	
C[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(C#N)cc1	31437603	RFGZAGLRUJRGNI-MRXNPFEDSA-N	412.518	5.218	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	41514480	ONSBPNSPTWZBKZ-LJQANCHMSA-N	418.909	5.198	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1	46669325	ZLRHSLSAONORGQ-SFHVURJKSA-N	409.530	5.037	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccn2)cc1Cl	56661246	APUMTKTXHPCNJF-OFNKIYASSA-N	416.912	5.759	30	20	HKED	
C=CCc1cc(CNC(=O)c2sc3cc(F)ccc3c2Cl)cc(OC)c1OC	65064391	FWQXQODZGYDVDG-UHFFFAOYSA-N	419.905	5.370	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	71794352	FMEPLXPVPOECCP-HNNXBMFYSA-N	422.815	5.852	30	20	HKED	
COc1cc(/C=C\C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1OCC#N	96602477	PYZFJBLBDYBXRG-NSIKDUERSA-N	414.461	5.350	30	20	HKED	
Cc1sc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c(C#N)c1C	105443801	SRNNEJYPDQQMIB-UHFFFAOYSA-N	424.835	5.347	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nc2sccc2c1=O	248020259	UMEBFNMKISQEMY-UHFFFAOYSA-N	415.927	5.245	30	20	HKED	
Cc1cc(Cl)ccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	301762825	NKFHCSUAKGRPGD-MRXNPFEDSA-N	417.317	5.681	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3ccncc3)c2)c1	303562440	AJNGAZMXTMLQRT-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)[C@@H]1CCCC(F)(F)C1	409968187	XJLVCZZDEGDCFT-ZYHUDNBSSA-N	405.285	5.130	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)CCCCC(=O)c3ccc(F)cc3)n2)c1	427634832	XWMJWTZOIYXIDG-UHFFFAOYSA-N	407.470	5.203	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(OC(F)(F)F)cc1	431813656	USLXFOTZFRYUSI-HNAYVOBHSA-N	405.420	5.381	30	20	HKED	
N#Cc1cc(NCc2nccn2C(F)F)ccc1Oc1ccc(C(F)(F)F)cc1	432425766	NMAIIYDCFRUHQN-UHFFFAOYSA-N	408.330	5.573	30	20	HKED	
Cc1cc(F)ccc1C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	433145516	QSBJKVDJAYPTGR-KRWDZBQOSA-N	411.546	5.940	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3OCCc3ccccc3)on2)c1	436465923	YVSIDCSQYDGMPN-UHFFFAOYSA-N	409.445	5.087	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc3c(nc2O)CCCCC3)cc1F	437479707	WLEKSYOGHWQYDV-UHFFFAOYSA-N	417.440	5.111	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccc([N+](=O)[O-])c1	438650337	QSNWZEKAQBYYLW-CQSZACIVSA-N	420.400	5.281	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cccc4ccsc34)cc2)c1	442224195	PFIMIVNOLZEUBL-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)c2ccccc21	444305214	YWQDDUNHTRKPPM-NFBKMPQASA-N	405.542	5.089	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccccc1	446366450	JRQGARKEQRGHKZ-IRXDYDNUSA-N	413.802	5.427	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC=C(c2ccc(Cl)c(Cl)c2)CC1	460386724	JOGPEAJPPWAGEH-IBGZPJMESA-N	419.356	5.306	30	20	HKED	
C=CCn1c(Sc2ncnc3cc(F)c(F)cc23)nnc1-c1ccc(Cl)cc1	461463921	PQQFCCMADPFBTL-UHFFFAOYSA-N	415.856	5.157	30	20	HKED	
CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	467162419	KCFDYJNJOCWLPC-XMMPIXPASA-N	424.504	5.179	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1Oc1ncccc1Br	468609343	IFTMSFUCFSORIM-UHFFFAOYSA-N	422.282	5.263	30	20	HKED	
CCc1c([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc2ccccc12	469359607	UOFKMJYOHFUFGV-QGZVFWFLSA-N	401.510	5.751	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	470622227	FTZGHMUNHMQWFO-DOMZBBRYSA-N	408.807	5.417	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	470831920	OJANQHDYFDVXOH-REWPJTCUSA-N	424.891	5.188	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)ccc1F	473786179	KJPZFIYGSNHCQX-UHFFFAOYSA-N	422.287	5.217	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccccc1I	476106080	CSADLNMONBOQOB-UHFFFAOYSA-N	405.279	5.395	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3cccnc3)cc2F)c1	481592862	DYQBBVGYNKZKSB-QFIPXVFZSA-N	416.456	5.040	30	20	HKED	
C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	482691092	JHUUPLYBTZBCLQ-VIFPVBQESA-N	413.362	5.222	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c2ccc(Br)cc2n1	483195999	JXGJUMFILAWRNS-IBGZPJMESA-N	416.278	5.344	30	20	HKED	
CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n[nH]1	486139635	VTTYCCPDKZXGNB-GDBMZVCRSA-N	418.501	5.173	30	20	HKED	
N#CCCN(C(=O)c1ccccc1CCC(F)(F)F)C12CC3CC(CC(C3)C1)C2	486569510	XHUZQOWWQHJXFG-UHFFFAOYSA-N	404.476	5.506	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C	491023503	QXPMBUAHSNFUOO-HXUWFJFHSA-N	424.463	5.276	30	20	HKED	
CC1(C)C(=O)Nc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc21	496029250	QNZNDINTVQPXIK-HNNXBMFYSA-N	421.909	5.183	30	20	HKED	
Cc1onc(CC(=O)N(C)[C@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)c1C#N	500108492	GWHBMXMHYYTHAF-QGZVFWFLSA-N	417.509	5.071	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1	502088214	APIHBDBNUXRTFQ-BVZFJXPGSA-N	411.505	5.033	30	20	HKED	
CC[C@@](C)(C#N)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	505169002	FXAMPTZSUIMDEO-QHCPKHFHSA-N	406.917	5.091	30	20	HKED	
N#C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1	505965239	IEFALYJXHMVWLT-SFHVURJKSA-N	414.292	5.352	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21	508261963	FKGIOYMNDZKMJA-MRXNPFEDSA-N	402.317	5.022	30	20	HKED	
C=CCn1c(SCc2csc(CCCC)n2)nnc1-c1ccccc1OC	510509550	DVOWZPCQBAAZHJ-UHFFFAOYSA-N	400.573	5.231	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(F)cc1F	510886681	HMUKEYCKRPKQKX-UHFFFAOYSA-N	407.420	5.601	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	513668082	VNLCAGKLKDVCJD-UHFFFAOYSA-N	421.831	5.284	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Br)cs1	517533019	OQBASEDTZLHBIC-NSHDSACASA-N	410.362	5.227	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	518147699	HRGUGKGUGPWFAX-AWEZNQCLSA-N	424.513	5.972	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccco2)c2cccc(Cl)c2)c1	521086246	PFLAEJXDNBOXCH-UHFFFAOYSA-N	408.885	5.587	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	521952063	ALGCEOPUYPZLFN-UHFFFAOYSA-N	413.477	5.536	30	20	HKED	
CC(C)(C)Oc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	523731224	DZYXVSDBWDBJEL-UHFFFAOYSA-N	400.478	5.567	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(O)CCCCCC2)cc1Cl	524130805	ZDAGZJJDGHTWCP-FQEVSTJZSA-N	411.933	5.202	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1	524247974	ITFLMYYHNYENSG-UHFFFAOYSA-N	419.447	5.065	30	20	HKED	
CCn1cc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c2ccccc21	524390599	WFVVLFSUJCLZQJ-UHFFFAOYSA-N	409.489	5.293	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCSc2ccccc21	525155192	MZSMUAFWSSXPTL-LJQANCHMSA-N	401.491	5.272	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1	536187567	WXLGHWSWCJRCLF-QGZVFWFLSA-N	415.518	5.443	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	538023502	DVTNGVPEPUCQTB-ZHRRBRCNSA-N	418.928	5.836	30	20	HKED	
Cn1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(-c2ccccc2)n1	538033765	FSBCRPROQVPCHE-UHFFFAOYSA-N	410.502	5.362	30	20	HKED	
C[C@H](N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(C#N)c(F)c1	539611417	NUXGFCUMNBXGGN-QMHKHESXSA-N	402.448	5.278	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)c2)n1	542968596	RAXLUKIDGNONNO-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1	543562189	PWGMWARQRYWLLM-MRXNPFEDSA-N	420.538	5.022	30	20	HKED	
CCc1cc(O)nc(-c2ccc(N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc2)n1	543897643	QMBFZTQWUQKFQB-QGZVFWFLSA-N	421.504	5.518	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)C3CCC(c4ccccc4)CC3)CC2)c(F)c1	552345671	INBNVVQXENPKOY-UHFFFAOYSA-N	406.501	5.041	30	20	HKED	
N#Cc1cccc(C2(NCc3csc(-c4cccc(Br)c4)n3)CC2)c1	556411074	VNNCLLDHFQLDDE-UHFFFAOYSA-N	410.340	5.223	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1OCCc2sccc21	558078643	LYKRCPYCPYOHKW-WAIKUNEKSA-N	418.518	5.039	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Nc1ccccc1SC[C@H](C)C#N	558370135	FKIGYPFUNLQLDG-CABCVRRESA-N	421.488	5.710	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cc2)ccn1	558511023	KMPMZJXNJSAKSY-JOCHJYFZSA-N	418.884	5.768	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)SCc2ccc(C#N)cc2OC(F)F)c(Cl)c1	558596788	LFJMQKVBGVIJJF-GFCCVEGCSA-N	410.873	5.382	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)ccc1Cl	560011226	JHBCTGZTYCTWEW-UHFFFAOYSA-N	419.655	5.353	30	20	HKED	
N#CCCC[C@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccccc1	560561401	INDSSSUPZFBKLM-KRWDZBQOSA-N	409.274	5.575	30	20	HKED	
COc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2C)ccc1C#N	564259378	MJQHPBUGNZUJGR-UHFFFAOYSA-N	408.505	5.018	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H](C)S1	567436449	OBTICDQMQWUWHF-GASCZTMLSA-N	415.946	5.148	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C	572207087	RFYMEFHDRCMRFF-ICSRJNTNSA-N	420.582	5.147	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C#N)s1	573470652	VLCLSQXBQKEAQY-UHFFFAOYSA-N	412.496	5.201	30	20	HKED	
N#CCc1ccccc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	576669094	VMJQJJPZKNZJIS-UHFFFAOYSA-N	415.543	5.786	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@@H]1CCOC(C)(C)C1	578471532	YXQIWBVQJWSPCR-LJQANCHMSA-N	423.513	5.171	30	20	HKED	
CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C1CCN(Cc2ccccc2)CC1	581851465	NWSYTQNIXFMRDB-UHFFFAOYSA-N	424.548	5.038	30	20	HKED	
C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1	584791857	FZZXDRUZPVCLOK-UHFFFAOYSA-N	405.567	5.633	30	20	HKED	
C=CCN(C(=O)c1ccc(SC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603819757	CIFRYXYYXDOSBN-UHFFFAOYSA-N	411.508	5.273	30	20	HKED	
CCC[C@@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)c1cccc(C(F)(F)F)c1	608851317	MRZORQKIDSQRED-HXUWFJFHSA-N	420.479	5.023	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	608974007	PLOCPTBCQPBXHV-QGZVFWFLSA-N	420.246	5.269	30	20	HKED	
CSCCc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1	609014462	OQJPFWIGIXHTNV-UHFFFAOYSA-N	402.519	5.295	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1	609168788	FUVWZAFBGGXSJB-UHFFFAOYSA-N	422.444	5.090	30	20	HKED	
N#CCn1c(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc2ccccc21	609330904	JDKXGUPTQAWXBK-SANMLTNESA-N	421.500	5.009	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1	609436028	FFRUZBRRQLILBR-CQSZACIVSA-N	424.957	5.806	30	20	HKED	
N#C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(C(F)(F)F)c1	609460680	UZUPXBIUKBFJKK-ZDUSSCGKSA-N	412.795	5.707	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@@H](c2nc3ccccc3s2)C1	609570955	ZJHWDQROOUJMHE-CYBMUJFWSA-N	406.461	5.378	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3cccc(F)c3)C3CC3)cn2)cc1	609617249	YDPMDFNNXXNEAG-UHFFFAOYSA-N	416.456	5.124	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2ccc(F)cc12	609641871	GYVXMYDLQNJFAY-UHFFFAOYSA-N	415.443	5.402	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	609643101	OCVJOUBKEAPJEW-UHFFFAOYSA-N	411.461	5.048	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610015720	QNPOXCYQQHULEW-GMAHTHKFSA-N	418.928	6.005	30	20	HKED	
COc1cc(CN(C)c2c(C#N)cnc3ccc(Cl)cc23)ccc1OC(F)F	610246608	OEZJUTBYZPDUQX-UHFFFAOYSA-N	403.816	5.006	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C(C)C)cc1OCC	610357109	HRVDPZHOIMNMSR-HXOBKFHXSA-N	409.530	5.113	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccncc1	610723050	HAPILYZDJZVENL-MRXNPFEDSA-N	405.885	5.318	30	20	HKED	
COCCN(CCC#N)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1	610949496	AURAXVDWZGGPOC-UHFFFAOYSA-N	414.918	5.011	30	20	HKED	
C[C@H](N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1F	612574837	KDYPZNJWCOVRPA-GTNSWQLSSA-N	415.228	5.804	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4)n3)n2)cc1	613315268	JOZGHMIZSDXYFV-QGZVFWFLSA-N	401.516	5.732	30	20	HKED	
Cc1ccc(F)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346282	GLRAREMKFDWLTO-OAHLLOKOSA-N	405.281	6.055	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OC1CCCC1	613391802	CGZKNMNWHZINHZ-IBGZPJMESA-N	418.518	5.630	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)nc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	677778361	BETZMPJXFXUSSS-YUMQZZPRSA-N	423.279	5.131	30	20	HKED	
Fc1ccc(-c2cnc(CON=Cc3cccc(OCc4ccncc4)c3)o2)cc1	727435902	XMUZWWQIUTWBEP-UHFFFAOYSA-N	403.413	5.005	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)c(C(F)(F)F)c2)SC1=S	727491157	FZFAXUGFUFNYLM-NVNXTCNLSA-N	424.856	5.636	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cc(OC)c1O	727685464	OAKXUFHHRRXRTE-LFYBBSHMSA-N	408.425	5.024	30	20	HKED	
CCOC(=O)CCOc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)cc1	727975962	YOHKJXMTNNLAQD-SEYXRHQNSA-N	407.491	5.038	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1	728189064	AJPVSWFRMWCSTG-UHFFFAOYSA-N	410.951	6.359	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1	729553932	WQCVEBSMGQNQBT-IBGZPJMESA-N	404.539	5.418	30	20	HKED	
N#CCOc1cccc(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)c1	729947443	QFIXOLQGPVDPNK-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2c1	730988719	BPFZNXMDDKHBGO-FWVUHSSSSA-N	402.519	5.752	30	20	HKED	
C[C@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)c2cc(C(F)(F)F)ccc2S1	731973192	PVKDOYLGKJHEDM-AWEZNQCLSA-N	420.456	5.068	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](O)c3ccc4ccccc4c3)cc2)cc1	732290884	HIESXJHTOAWBBF-AREMUKBSSA-N	422.484	5.162	30	20	HKED	
CC(C)(CCC(=O)Nc1sc(-c2ccccc2)cc1C#N)NC(=O)OC(C)(C)C	737512187	OKYGLZLKMSSKRH-UHFFFAOYSA-N	413.543	5.309	30	20	HKED	
CC(C)(CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)NC(=O)OC(C)(C)C	739155685	KMLRAHHTGSHSEH-MRXNPFEDSA-N	413.543	5.070	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cnc2ccsc2c1	739410921	GJIODLNWIQGOFM-UHFFFAOYSA-N	414.416	5.003	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2cccc(C)c2C)c1=S	742153208	QDVJCAJZDLOXEB-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(c2ccccc2)C(=S)N[C@H]1c1scnc1C	743739685	YBSPFMSZPPNOJY-LJQANCHMSA-N	423.538	5.027	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	744410988	FEOWPMPJFRXXOF-ZJOUEHCJSA-N	403.551	5.049	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3OC(C)C)n2)cc1	749054863	LNBKJTXIESGGCS-LJQANCHMSA-N	406.507	5.025	30	20	HKED	
C=CCOc1ccccc1CN(C(=O)CCc1cscn1)c1ccc(C)c(C)c1	751063805	LBYGVPTVPIBACG-UHFFFAOYSA-N	406.551	5.491	30	20	HKED	
C=C(C)[C@@H](C)OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	755987973	IADZHNGDQWWNSY-ZIAGYGMSSA-N	414.552	5.193	30	20	HKED	
C[C@@H](ON=C(N)c1ccc(Cl)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1	757612373	GHBYDCCSILNUTQ-SECBINFHSA-N	411.676	5.095	30	20	HKED	
C[C@@H](ON=C(N)c1ccc(Cl)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760434080	ULTVWJKZWKTGGL-SECBINFHSA-N	411.676	5.095	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	766469291	QOGUTGPKHYAAOY-MGPUTAFESA-N	407.514	5.407	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(C)cc2O[C@@H]2CCOC2)cc1	766581631	LQJWYVGYMKTBSF-PGRDOPGGSA-N	401.934	5.145	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3c(C)ccc(C)c3C2=O)cs1	769746643	MIIGDPTXFXAAMZ-SFQUDFHCSA-N	420.509	5.796	30	20	HKED	
Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cccc1N(C)C	775988587	RARLXTXYMCDEEK-UHFFFAOYSA-N	401.535	5.477	30	20	HKED	
C[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)Sc1ccc(Br)cc1	776164619	JELFPSZTHGCYEE-GJZGRUSLSA-N	405.361	5.183	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2cccs2)cc1	777114687	LMMWBSMPUDCYIR-QGZVFWFLSA-N	403.551	5.421	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1	780582013	YEMQZCQUXWCPLK-CYBMUJFWSA-N	409.433	5.584	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)[C@H](C)c1ccccc1C(F)(F)F	780672539	GCLFKHVEKMAHJA-ILXRZTDVSA-N	405.420	5.310	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1	780675184	URQLNDZMIGCORU-SFHVURJKSA-N	403.457	5.351	30	20	HKED	
C/C(=C/c1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787051347	HRNRJIYGTXAMQB-QSNCDBEISA-N	419.283	5.122	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)O[C@@H]([C@H]3CCCOC3)C(F)(F)F)cc2)cc1	789645699	NEWODUJHIUQCPL-PXNSSMCTSA-N	419.399	5.059	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3F)cc2)cc1	792926440	QHNGKWMSHQYUGM-SXGWCWSVSA-N	403.453	5.003	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)N[C@H](C)c1cccc2ccccc12	795982737	QUCJRIUANVCYAE-XQBPLPMBSA-N	414.505	5.036	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cscc3Br)c2)s1	796586854	GGQOOUFCLSPLAF-UHFFFAOYSA-N	403.326	5.041	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1ccncc1	798414009	BSIPBTJWWUFDRW-IBGZPJMESA-N	421.438	5.388	30	20	HKED	
COc1ccc(NC(=O)OC(C)(C)C)c(NCc2ccc(C#N)cc2C(F)(F)F)c1	816664294	DMHXZNRKFBHBHO-UHFFFAOYSA-N	421.419	5.545	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1nc2ccccc2n1C(F)F	915107042	KIRGXPCPBYCACS-INIZCTEOSA-N	423.394	5.640	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1	915352239	GJCLSJAXTGTRGA-QFIPXVFZSA-N	423.438	5.725	30	20	HKED	
Cc1ccc2c(C)cc(NN=Cc3cn(CCC#N)nc3-c3ccccc3)nc2c1C	916543149	KBDHFEADGQEPIU-UHFFFAOYSA-N	408.509	5.383	30	20	HKED	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917043496	JEKLUXQCHUXFGN-YGRLFVJLSA-N	407.347	5.960	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1	920143547	RGWQUXBZOBTFFZ-JOCHJYFZSA-N	424.525	5.827	30	20	HKED	
CC(=O)N(c1nc(/C=C2\Cc3c(F)cccc3C2=O)cs1)c1ccc(F)cc1F	921264294	QCCPJOTWGNSJBC-KPKJPENVSA-N	414.408	5.067	30	20	HKED	
CC(C)c1sc(NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)nc1-c1ccccc1	1643523149	OPFOMATUDYDNNO-QGZVFWFLSA-N	418.566	5.437	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C)CCC2)cc1	1786103797	CGIPNKCYHIQTRL-UHFFFAOYSA-N	406.526	5.413	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)cc(OC)c4)cc3)CCC2)C1	1792147865	JGHDLXPRSJDJQD-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C(C)C)cc2)c1	11263230	NTYUKTXNSFPCRV-UHFFFAOYSA-O	420.602	5.412	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1	11374066	NYTBKZMPWFOIQH-UHFFFAOYSA-N	415.522	5.482	30	20	HKED	
CCC(CC)c1nnc(/N=C(\O)c2sc(Cc3ccc(F)cc3)nc2C)s1	30597505	YQCHQIOACRMDOR-UHFFFAOYSA-N	404.536	5.573	30	20	HKED	
C=CCOc1c(Br)cc(CNC2(c3ccccc3)CCC2)cc1OC	65275725	RVXPPXFGJJFYMI-UHFFFAOYSA-N	402.332	5.192	30	20	HKED	
CCN1C/C(=C\c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1	212897748	WBCQPZNTRLOBAT-DFEHQXHXSA-N	405.501	5.155	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)CC(=O)c1cn(CCC#N)c2ccccc12	216238965	KIEGAIFIAXIXGP-MRXNPFEDSA-N	402.523	5.040	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1F	217674491	VGCQRNFOYMHNSU-UHFFFAOYSA-N	416.909	5.045	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccc(C#N)cc1	303720901	RRVKBGFEMIQHAQ-KRWDZBQOSA-N	414.509	5.857	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303750300	FFFUYKLNWNJINB-JTQLQIEISA-N	421.303	5.227	30	20	HKED	
N#C[C@H](CCc1ccccc1)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1	433375339	PDYVRCDRQLHYDR-FQEVSTJZSA-N	400.444	5.184	30	20	HKED	
CC(C)(c1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1)C(F)(F)F	433862059	IGHFKGLPLJQEKW-INIZCTEOSA-N	414.349	5.540	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1	435249096	KFBHVHVAXXTHGG-CQSZACIVSA-N	421.953	5.553	30	20	HKED	
Cn1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2cc(F)ccc21	435581314	YBKGFRXCGTXWEX-UHFFFAOYSA-N	413.452	5.215	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(F)(F)F)CC3)c2)cc1	437743117	HEGDCXCOGQTWAR-UHFFFAOYSA-N	417.431	5.138	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)Oc1ccccc1F	438223434	GWOPHJHZNAFRQW-MRXNPFEDSA-N	405.429	5.079	30	20	HKED	
CCSCc1cccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1	438384341	VWFFAYGBSGVKIV-UHFFFAOYSA-N	409.555	5.323	30	20	HKED	
CCCc1c(NC(=O)c2cccc(-c3cscn3)c2)cnn1-c1cccc(C#N)c1	440081583	TUHCTKDVHWUKES-UHFFFAOYSA-N	413.506	5.072	30	20	HKED	
CCN(CCC1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1)CC(C)C	444274140	YAODUPHDAXSQEO-UHFFFAOYSA-N	422.617	5.165	30	20	HKED	
N#C[C@@H]1N(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCC[C@]12CCCCO2	448275090	GOKBUROVAAQSDG-LADGPHEKSA-N	423.944	5.020	30	20	HKED	
CN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1	460277296	QPVCRTBAWPGMGK-CRIGQSRLSA-N	423.479	5.011	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	463747753	WEJCJXPYNJSATM-QGZVFWFLSA-N	419.699	5.136	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	464481185	LZDMFYZEPJPYIW-UHFFFAOYSA-N	403.526	6.328	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1	466689721	GXLDUUQMCZMKFW-OAHLLOKOSA-N	413.465	5.019	30	20	HKED	
C[C@@H](CCC1CCCCC1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470532351	ORUFHOAUCHDDCE-SFHVURJKSA-N	410.562	5.140	30	20	HKED	
CC(C)(NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(OC(F)(F)F)cc1	473730437	ANIYGORRXSMLJW-GOSISDBHSA-N	405.420	5.165	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)Cc1csc(-c2cccc(Br)c2)n1	475739059	LQDQRGYSUJSZNA-UHFFFAOYSA-N	420.376	5.094	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	479053619	LHVMCUZWQHXQDD-UHFFFAOYSA-N	412.239	5.386	30	20	HKED	
C[C@@H]1c2cccc(Br)c2CCN1C(=O)Nc1ccc(C#N)cc1Cl	480953790	BAPKNFSOCLEPDC-LLVKDONJSA-N	404.695	5.125	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nccc2ccccc12	483207799	WJWSAVMAZAXXIC-KRWDZBQOSA-N	407.260	5.217	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	483648897	YMMDINPHPIBVDL-UHFFFAOYSA-N	405.457	5.973	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CCC(=O)Nc2sccc2C#N)C1	483665756	WRUQDRBNNMVTLA-GUYCJALGSA-N	407.461	5.050	30	20	HKED	
N#Cc1c(F)cccc1CSc1nnc(-c2ccccc2F)n1Cc1ccco1	488258259	ABZVYJDTOAANCJ-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
CCCc1nc(C)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1	494806555	BRXZRZQCTQHJRB-LJQANCHMSA-N	422.916	5.566	30	20	HKED	
CCN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cccnc1	496446096	FVVLPGJJCDVEHU-XMMPIXPASA-N	403.913	5.177	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)c1	497396029	QRMOYYRSEQFQTQ-UHFFFAOYSA-N	405.832	5.225	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	502645827	YHDMEJDWWXWUFV-SFHVURJKSA-N	418.566	5.611	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1	503658135	IQCKRORVVPBBDQ-JOCHJYFZSA-N	418.928	5.642	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl	503701885	NNUQWDZDKPMBNK-LJQANCHMSA-N	402.325	5.473	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(Oc4ccncc4)c(Cl)c3)CC2)cc1	504013439	PYPWWUZXFIENGD-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1	505830431	CQEFZRAWFOTFSL-HXUWFJFHSA-N	417.534	5.293	30	20	HKED	
C=CCn1c(SCc2cc(Cl)cc3cccnc23)nnc1-c1ccc(F)cc1	505832409	MYPVPCBBTRNLIR-UHFFFAOYSA-N	410.905	5.764	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccccc1	509709803	CRHSXIWNCKQQBV-SFHVURJKSA-N	415.493	5.223	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Br)cc2)sc2c1-c1ccccc1CC2	511084405	BBWCMTPFHDYWOX-UHFFFAOYSA-N	409.308	5.400	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1F	511122355	PXFMVGUZFUENEM-SCLBCKFNSA-N	420.257	5.031	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1	515976902	CTOYEEHBSPVNTR-UHFFFAOYSA-N	415.440	5.196	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)n1	516795142	UVWRYJGSBXVUJG-LLVKDONJSA-N	412.517	5.239	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)c2cccnc12	517298382	VIIBKEMSCMBQCX-UHFFFAOYSA-N	402.306	5.285	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(CC)o2)nc2cc(-c3ccccc3)sc2c1=O	518382251	SCWQPTARULANKC-ZDUSSCGKSA-N	424.551	5.110	30	20	HKED	
Cc1sc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c(C#N)c1C	518600636	LFVJXESGKVVEAH-UHFFFAOYSA-N	409.458	5.436	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccco1	519451281	XGSNULGSJAZIBV-SJLPKXTDSA-N	401.532	5.067	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)ccc1Br	520836976	GIYWXQPIZOCNBQ-NSHDSACASA-N	409.736	5.607	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1	522843549	ZCONETFTQGTUNR-CVEARBPZSA-N	413.974	6.492	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc2cc(Cl)ccc2s1	531203447	XWEGBDNGBFJPCL-PKOBYXMFSA-N	409.942	5.181	30	20	HKED	
Cc1cccnc1[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C	533058077	BFLVMMQLDHITCJ-QHCPKHFHSA-N	421.589	5.111	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)c1ccc(Sc2ccccc2C#N)cc1	533139794	SUMSDRLDQFCBKL-UHFFFAOYSA-N	407.564	5.259	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C1CC1	534085026	YWXANEQLZCLLOL-MRXNPFEDSA-N	400.482	5.648	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1F	535527370	BPNPBVLFZALNPB-GOSISDBHSA-N	409.442	5.050	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1	536156466	YDSYPVWMKLUJPT-QGZVFWFLSA-N	418.468	5.385	30	20	HKED	
N#CCN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CCCC1	536661307	RKLASARFKFVMLG-UHFFFAOYSA-N	402.325	5.514	30	20	HKED	
COc1ccc2nc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2c1	536717884	GXKYPUPXVGRILV-AWEZNQCLSA-N	421.428	5.135	30	20	HKED	
Cc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)nn1-c1ccc(Cl)cc1Cl	537531002	VUGYAXJHOKSGMW-UHFFFAOYSA-N	414.296	5.023	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Sc2cccc(Cl)c2C#N)c(Br)c1	540048137	UEEUBVBSUDTYSV-LLVKDONJSA-N	409.736	5.402	30	20	HKED	
C=CCC[C@@H](NCc1noc(Cc2ccc(Br)cc2)n1)c1ccccc1	540456294	JITUBGFKZKSZJJ-LJQANCHMSA-N	412.331	5.220	30	20	HKED	
C[C@H](NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1cccc(C#N)c1	540596905	YQBZECILPZKTHU-FQEVSTJZSA-N	413.521	5.207	30	20	HKED	
C=CCCO[C@H](C)c1nc(-c2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)no1	544517172	RZVYRTWBICBIOG-CQSZACIVSA-N	406.408	5.212	30	20	HKED	
N#Cc1cc(Br)ccc1CNc1cc(Cl)ccc1OC[C@@H]1CCOC1	564200899	UXLPEMMXQNIEHD-CYBMUJFWSA-N	421.722	5.002	30	20	HKED	
Cc1csc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1Br	564520373	FHQLMPYHWKFJLH-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#Cc1cccc(F)c1Cc1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1	568117458	RZSZTNRAVQWWSD-UHFFFAOYSA-N	414.318	5.012	30	20	HKED	
CC[C@@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1	569432869	LQOMFUZQTIEECC-PKTZIBPZSA-N	420.354	5.740	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSC1CCCCC1	571799679	MOQGRMGINZVQMM-JOCHJYFZSA-N	416.612	5.764	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCSc4ccc(F)cc43)cc2)ccn1	572892708	PGUJEEWNPKDGEZ-FQEVSTJZSA-N	420.469	5.243	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cc2)ccn1	575841694	JCUJTHFZUZURFN-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
N#CC1(CCCN[C@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)CCOCC1	577069270	FFRNIISCPTUDDP-NRFANRHFSA-N	408.508	6.017	30	20	HKED	
Cc1sc(C2(NCc3ccccc3C(C)(C)C#N)CCC2)nc1-c1ccccc1F	579739364	OKMRLYQXLFNTHA-UHFFFAOYSA-N	419.569	6.228	30	20	HKED	
CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c12)[C@H](C)c1ccc(C#N)cc1	603530500	QDTCMGMHIYGEEM-CQSZACIVSA-N	424.595	5.190	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608782278	JGFQJHORYSZNED-RYUDHWBXSA-N	424.389	5.146	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609378181	ZNEGDNAETULNOF-INIZCTEOSA-N	417.490	5.234	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	609508707	ZHYSHWXIOVASGL-UHFFFAOYSA-N	417.534	5.110	30	20	HKED	
N#Cc1c(NC(=O)c2cc(O)nc3cc(F)ccc23)sc2c1-c1ccccc1CC2	610041334	GLIBYZSZCAIYOI-UHFFFAOYSA-N	415.449	5.031	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)c1ccccc1C(F)(F)F	610240107	XRWFDJQSGAZGLP-ZUZCIYMTSA-N	401.215	5.497	30	20	HKED	
COc1ccc([C@@H](C)CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	610321333	QOTXCJAIOOFHKX-KRWDZBQOSA-N	416.481	5.069	30	20	HKED	
CN(C(=O)NCCCC#N)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1	612379989	GSBJMKOUFYQDJQ-GOSISDBHSA-N	420.738	5.137	30	20	HKED	
C=CCN(Cc1nc(O)c2ccc(C(F)(F)F)cc2n1)Cc1ccc(Cl)s1	612819789	AIAJYMNXWUISNV-UHFFFAOYSA-N	413.852	5.257	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccccc4)nc3C)n2)cc1	613315269	JQUJCYGSXKCGIC-GOSISDBHSA-N	415.543	6.041	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1	615759725	CQJJWYRQTSKIKA-UHFFFAOYSA-N	413.521	5.145	30	20	HKED	
FC(F)(F)COc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	618540071	QQGPWECLWHNLHK-VXGBXAGGSA-N	409.292	5.190	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3SCC(F)(F)F)on2)c1	619103134	TUGSWTRIOUHIBR-UHFFFAOYSA-N	403.385	5.120	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1)c1ccccc1	619435657	WIILKVGNRNGHJM-QFIPXVFZSA-N	415.562	5.604	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	674784848	WHKMZPIGXABWIC-IJLUTSLNSA-N	417.390	5.143	30	20	HKED	
CCOc1cc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F	678207896	HQFVCCQTLFIOCU-TXEJJXNPSA-N	421.328	5.249	30	20	HKED	
CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1ccc[nH]1	725854784	NUMYYQQPEPVNQV-UHFFFAOYSA-N	412.316	5.285	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1	727589663	YJAZZGNEZYXSIK-LADGPHEKSA-N	415.468	5.087	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)c1=S	728050332	SGHBQXNWGCUADV-QGZVFWFLSA-N	408.493	5.291	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2csc(-c3cccs3)n2)c1	728185638	OEIACZPBVKYIDD-UHFFFAOYSA-N	404.516	5.222	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1	729036381	OZSHFXQQFLZHDJ-GOTSBHOMSA-N	424.529	5.710	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	729069972	JRQMMSNKRMRNRY-XJKSGUPXSA-N	402.441	6.075	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c1OC	730222425	VZAXXYUMLUPJMB-FQEVSTJZSA-N	424.859	5.158	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)N[C@@H](C)c1ccc(Cl)cc1Cl	730954964	PZBVRVSHWAOWBU-STQMWFEESA-N	424.422	6.293	30	20	HKED	
CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	731400169	LQBPMNLORJAODJ-UHFFFAOYSA-N	423.476	5.200	30	20	HKED	
C[C@@H](OC(=O)CCOCC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	733710362	SKMHFGHWVKDPAI-MRVPVSSYSA-N	412.248	5.297	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccccc3)cc2OC)c1	733770299	FQSNEVFEXAGOEZ-GOSISDBHSA-N	406.507	5.035	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC3(CCCC3)c3c(F)cccc32)c1	733851522	BMPYWYTXOGCKHT-SFHVURJKSA-N	407.489	5.048	30	20	HKED	
O=S(=O)(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cc(F)ccc1Cl	734153464	FVBSBEKLUHDIPV-CQSZACIVSA-N	417.207	5.011	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](c2ccccc2)C2CCOCC2)c1	734509442	KRODVTKKUQIFAS-MHZLTWQESA-N	412.533	5.395	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)c1	739023336	MSLBRZDCTHFKML-CKUXNOBLSA-N	405.542	5.359	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21	741196019	VDJWJQNHTAKMFM-FOIQADDNSA-N	404.491	5.070	30	20	HKED	
Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(-c2ccccn2)c1	747746513	JCWHSAFIACKINM-UHFFFAOYSA-N	421.529	5.255	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1	748044976	SDXNHUYBXRGUOJ-XMMPIXPASA-N	405.457	5.782	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)Nc3cc(C#N)cn3C(C)(C)C)cccc21	753844320	BACRDKRQRNTCSQ-UHFFFAOYSA-N	423.517	5.056	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	760386465	SBWYYUQHTHNSNI-QFIPXVFZSA-N	415.880	5.079	30	20	HKED	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	765910873	VSJQUWVGNSHNSP-UOKFIYJESA-N	417.484	5.115	30	20	HKED	
Cc1nc(Cl)ccc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	766426353	JGERXKYGXUCFFS-UHFFFAOYSA-N	413.852	5.249	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)cc1Cl	768474743	ZCFSURKNLWZMCG-IBGZPJMESA-N	420.852	5.072	30	20	HKED	
O=C(OCc1ccc(C(F)(F)F)cn1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	768878311	KEHKRHLZMUHYGC-UHFFFAOYSA-N	407.285	5.033	30	20	HKED	
C#CCOc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	775941179	VWIVJPZGZKGWAP-UHFFFAOYSA-N	412.367	5.157	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)C(=O)c3ccc(Cl)cc3)n2)cc1	777304988	UFZTZUYSJSMDFZ-BEFAXECRSA-N	422.937	5.857	30	20	HKED	
C=CC[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1ccccc1	778736463	ANEKAVGIZLAZQF-QGZVFWFLSA-N	403.931	5.114	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1	780148818	MTODAEUQYGEAGO-KSFYIVLOSA-N	406.482	5.589	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)ncc2Cl)cc1	780410307	RXPXWDXTNCDTAJ-UHFFFAOYSA-N	412.276	5.286	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2cccc3cnccc23)cc1)Nc1ccccc1	782888028	SBHHLWOXQUDPQV-SDNWHVSQSA-N	408.457	5.148	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OC	787167317	CNRXTSJYMMMQOQ-UOEVCUDDSA-N	406.482	5.028	30	20	HKED	
N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)c1nccc2ccccc12	792090353	FSGOUXAZSCJCMP-HXUWFJFHSA-N	407.311	5.587	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nccc4ccccc34)cs2)cc1	792095198	UWJXIBIJFDFREA-NRFANRHFSA-N	413.502	5.176	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cnc4ccccc4c3)n2)cc1	796663365	XXRJEXKGQVLHEB-FQEVSTJZSA-N	408.486	5.039	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c(Br)c1	797567304	GGTCGDSWEGLUHV-QWHCGFSZSA-N	421.360	5.155	30	20	HKED	
COc1cc(COC(=O)[C@H]2CCCC(F)(F)C2)ccc1OCc1cccc(C#N)c1	800284509	ILHHEAHKLBSZOR-IBGZPJMESA-N	415.436	5.015	30	20	HKED	
O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@H](F)c1ccc(C(F)(F)F)cc1	801653317	DDNYLHNAYQDJHN-MRXNPFEDSA-N	423.328	5.111	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2Nc1nc(Cl)c(C#N)s1	804625670	ADTVCLFNIRKAJV-AWEZNQCLSA-N	404.923	5.505	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	810957708	KQOYTWIPDCWJGL-QAPCUYQASA-N	402.535	5.354	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3conc3Cc3ccccc3)cc2F)c1	816564707	NRBJGKJSVJMGIG-UHFFFAOYSA-N	413.452	5.467	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(Cl)s2)c1	839407262	UFCIUAHDIVXJSN-UHFFFAOYSA-N	406.964	5.175	30	20	HKED	
FC(F)(F)c1ccc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc1Cl	914786092	MHGLGWXZAOKTNJ-JIGDXULJSA-N	414.699	6.075	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1	915354050	UGGUDTYGWLNKCE-VWLOTQADSA-N	410.521	5.005	30	20	HKED	
CCCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	918237196	ACXVVHRCOLFURB-HNNXBMFYSA-N	413.905	5.027	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)n2)cc1	918488931	HBBQTBVJAZUJLT-CVDCTZTESA-N	415.518	5.270	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1	1792377259	ARSHVRWVGJDTIP-HJPURHCSSA-N	402.485	5.078	30	20	HKED	
C=CCn1c(SCc2csc(C)n2)nc2sc(-c3ccccc3)cc2c1=O	6111687	FJMOAFNFNWDZLH-UHFFFAOYSA-N	411.577	5.368	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)c(F)c2)cc1	22732199	YABWKMBBYVMDGG-UHFFFAOYSA-O	413.563	5.405	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	25119985	MBICVNLEPVGDSF-HMMYKYKNSA-N	419.484	5.458	30	20	HKED	
N#Cc1ccc(-n2c(SCc3cccc4cccnc34)nc3ccccc3c2=O)cc1	29913925	DSLPSGFMOGXDPQ-UHFFFAOYSA-N	420.497	5.098	30	20	HKED	
CCc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1	49935465	YVSXNGRAYSKKLO-UHFFFAOYSA-N	415.518	5.104	30	20	HKED	
COc1ccc(-c2cc(NC(=O)C3(C#N)CCCCC3)ccc2OC(F)F)cc1	57383967	YCIYJDCNNBSIOW-UHFFFAOYSA-N	400.425	5.376	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1	72025326	AJURSYRPNGBOJF-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)cc1OC	72096668	PWYSSFGEODAPKG-UHFFFAOYSA-N	413.477	5.066	30	20	HKED	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCCC#N	251632083	RHAPCQJGTYVZIL-VSZNYVQBSA-N	414.550	5.389	30	20	HKED	
CC(C)c1cc(=O)oc2cc(Oc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)ccc12	302570359	QIEFUKNXSLLYRE-UHFFFAOYSA-N	401.378	5.037	30	20	HKED	
COc1ccc(Cl)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	303231039	XVWLNDIZWJIUNN-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H](C)c1ccc(C#N)cc1	303675596	ZRAHICUOTDOUDQ-IBGZPJMESA-N	409.489	5.232	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccn(-c2cccc(C#N)c2)n1	409603174	YTPTWCVTJVLDLQ-GOSISDBHSA-N	412.518	5.209	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)ccc21	409672916	LEKFCBOLBQKAJW-UHFFFAOYSA-N	418.403	5.427	30	20	HKED	
C=CCCc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	410345620	CTEUAMDPAZWFML-UHFFFAOYSA-N	424.500	5.985	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1	429075786	KYXXSXLFXDRROR-XLIONFOSSA-N	404.539	5.524	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C(F)(F)F)c1F	429831333	UAOZCPWUXFARAE-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
COC(=O)c1cc([C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)oc1C	431105712	KJTWLVUZAXSYHR-CQSZACIVSA-N	406.438	5.220	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1)c1ccccc1	431882343	NQSOPTVSEKZAAH-QFIPXVFZSA-N	418.472	5.247	30	20	HKED	
Cc1c(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cccc1-c1ncco1	432796484	HMZVSEZGXSPLQM-UHFFFAOYSA-N	410.433	5.958	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	434150344	LTIYZAPKKSAPIH-ROUUACIJSA-N	419.554	5.839	30	20	HKED	
N#CCCn1cc(CNc2cccc(-c3ccc4c(c3)CCO4)c2)c(-c2ccncc2)n1	434986929	QUGKLIKVRHHXEB-UHFFFAOYSA-N	421.504	5.073	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)n1	438132132	QFQHVAZXAWREKY-LEWJYISDSA-N	415.497	5.164	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1	439665768	XQWCBBABOCJZTC-QGZVFWFLSA-N	403.457	5.546	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(Oc2ccccc2F)CC1	440470960	ZNMXHPZJZUMWGX-UHFFFAOYSA-N	416.452	5.135	30	20	HKED	
C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(-c2ccncc2)cc1	444287533	DMESBEXHUVUGHB-IBGZPJMESA-N	408.505	5.498	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccccc1	460787457	QUEZTPJHOOHSNL-HXUWFJFHSA-N	420.582	5.497	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3cncc4ccccc34)cc2)c1	462504638	USTRKKMQDQNQKF-UHFFFAOYSA-N	407.473	5.257	30	20	HKED	
N#Cc1cc(Oc2ccc(NC3CCN(CCc4ccc(F)cc4)CC3)cc2)ccn1	463253254	CNKJOFHHWOLRCT-UHFFFAOYSA-N	416.500	5.004	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@H](C)c2cccc(C#N)c2)c1C	463857528	RPMVINDKKORYMS-CYBMUJFWSA-N	413.308	5.410	30	20	HKED	
N#Cc1cc(NC(=O)c2ccncc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1	465164683	JWCNYYVLGIXPKL-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
COc1ccc(-c2cncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1	466349875	LJTJEPVDQONGJL-INIZCTEOSA-N	403.507	5.261	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2c(F)cccc2NC2CC2)c1	469136764	XSIPARKTQYTKJC-UHFFFAOYSA-N	401.441	5.103	30	20	HKED	
CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470764941	ITYRZCAZIOFAQU-UHFFFAOYSA-N	423.944	5.130	30	20	HKED	
COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c(OC(F)F)c1	475239463	GTDBARJIYHSPEM-UHFFFAOYSA-N	400.406	5.149	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1	476092701	WFSFMROQFHTBQZ-UHFFFAOYSA-N	418.562	6.413	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccccc1	476853507	QZSOIYFFFLGCAB-ICSRJNTNSA-N	412.917	5.314	30	20	HKED	
COc1ccc(F)cc1-c1csc(NC(=O)c2sc3ccc(C#N)cc3c2C)n1	477221671	RATFRWYDOLKYHJ-UHFFFAOYSA-N	423.494	5.605	30	20	HKED	
COc1ccc(CS[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1Cl	478604926	BCCWOTKDNNZFAB-NSHDSACASA-N	406.960	5.031	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1cccs1	481394734	WZAVJBGXEWLMTM-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12	483222582	UHQXHFLJHRYUJA-GOSISDBHSA-N	403.894	5.810	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCC(F)(F)F)Cc1ccccc1	484646457	AHHHMESXVCPTDJ-UHFFFAOYSA-N	404.476	6.525	30	20	HKED	
N#CCc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1	489254974	PYUPBVHMHLKJGN-NRFANRHFSA-N	423.285	5.174	30	20	HKED	
CCc1cnccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	490401123	OCAMHMNIDGBFEV-NRFANRHFSA-N	404.901	5.275	30	20	HKED	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl	490498093	BZKGVCHFNQLPSN-INIZCTEOSA-N	417.896	5.037	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1	490624901	WJHMMGPTTIATQM-DEOSSOPVSA-N	424.504	5.392	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1	494236565	FACOULBDAXCLOO-MZKUHISZSA-N	423.516	5.039	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)Oc1ccc(F)c(F)c1	500757531	IEBPBJJAXHWSKS-HNNXBMFYSA-N	408.404	5.343	30	20	HKED	
C[C@H]1C[C@@]1(NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	503370710	AMZXJXHJGBZWDG-VVBPWWLESA-N	413.974	5.055	30	20	HKED	
N#C[C@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccccc1Cl	505641049	YMRCOPIVMSANBC-IBGZPJMESA-N	411.889	5.161	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	506787948	CNOGSAVRKGMDHR-HNNXBMFYSA-N	407.514	5.284	30	20	HKED	
N#CC1CCC(CNC(=O)c2oc3ccccc3c2CSc2cccs2)CC1	508364666	YJTUQLFEXOLSFX-UHFFFAOYSA-N	410.564	5.846	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510172857	OIPXHJHQDNAYOS-QGZVFWFLSA-N	401.535	5.863	30	20	HKED	
Cc1cccc([C@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)C(F)(F)F)c1	510465774	WCDSDVAZIDQWPG-QRWLVFNGSA-N	421.488	5.221	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)c2)cc1	511267653	PYHCLLAWWVGGHC-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511546989	RRZQCWBYIBLRGX-HSALFYBXSA-N	419.422	5.301	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1	511971448	HFPHQQVXPYLXDU-QZTJIDSGSA-N	404.407	5.518	30	20	HKED	
C[C@@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	514232528	MRPDVABFTGQNKT-IFMALSPDSA-N	409.533	5.038	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1	515212088	AGEFGEGPZVKNRR-SANMLTNESA-N	419.484	5.052	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)c1	517079737	JLBDPEYFDDIZJO-RTBURBONSA-N	415.320	5.039	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	517335618	BKFDKMRHAWMYDX-UHFFFAOYSA-N	401.397	5.012	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1	517357263	CLDRMLXPGLCLNQ-XMMPIXPASA-N	417.459	5.236	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1	517520141	WKVOGEBUVMAGGR-KRWDZBQOSA-N	408.548	5.549	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)c1	517901670	RPRAOXUPGNINSA-UHFFFAOYSA-N	411.461	5.533	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(OC2CCCCC2)c1	518165792	RSYRVDNSUUVXBT-KRWDZBQOSA-N	424.570	5.367	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	518919135	HMHUOXRLZQWHFR-KRWDZBQOSA-N	401.466	5.024	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Br)c(F)c1	520683197	UBVWHLKYXIMMDP-UHFFFAOYSA-N	401.260	5.441	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccn(Cc3ccccc3)n2)cc1	521389656	SNRZXURHKYOIDA-UHFFFAOYSA-N	424.529	5.348	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1	522619113	BAZASOROGZFMKC-IBGZPJMESA-N	415.946	5.321	30	20	HKED	
C=CCc1cc(CNC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc(OC)c1OC	523309001	MDOQZYYTMRWQFU-IIBYNOLFSA-N	424.541	5.023	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	524204328	KQKAAOWVROIODG-BEFAXECRSA-N	402.416	5.098	30	20	HKED	
CCSc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cn1	524388315	XELRDRAXIDGOLR-UHFFFAOYSA-N	403.507	5.205	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NC3(c4cccc(F)c4)CC3)cc2F)c1	525345734	XMCSUSSPZBMBKQ-UHFFFAOYSA-N	419.431	5.226	30	20	HKED	
Cn1cc(-c2ccccc2CNC(=O)c2ccccc2Sc2ccccc2C#N)cn1	534008177	ADMFPQLISLSBBA-UHFFFAOYSA-N	424.529	5.040	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1	534688404	FQOZSGYVIBRTMS-VGOFRKELSA-N	405.929	5.754	30	20	HKED	
COC(=O)[C@@H](N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1cccc(C#N)c1	538322015	JWFYRYRTWOJJSE-MOPGFXCFSA-N	422.834	5.185	30	20	HKED	
CCOC(=O)c1cc(NC(=O)N2CCC(CC#N)CC2)ccc1Sc1ccccc1	542392079	SOUMXCQRFNXLPX-UHFFFAOYSA-N	423.538	5.172	30	20	HKED	
C[C@@H](Cc1nnc(SCc2ccc(Br)cc2C#N)o1)c1ccccc1	553364115	DEBPKHKPJIGVIX-ZDUSSCGKSA-N	414.328	5.342	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccccc2)c2ccccc2C#N)c1	558080020	JELLNKOTNYZROS-UHFFFAOYSA-N	409.489	5.212	30	20	HKED	
COc1cc(C#N)ccc1OCCSCc1cc(-c2ccc(Cl)cc2)no1	570313881	PLLRADFWKZFAHY-UHFFFAOYSA-N	400.887	5.187	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(C#N)c4ccccc4n3)c12	578448650	GFEMOWJHVOYWLI-UHFFFAOYSA-N	423.432	5.278	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1cnccc1C#N	581451861	VRJKSJJZYSTUAC-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccccc2)cn1)c1nc2ccccc2n1C(F)F	581923007	VHFRBXIXSCBERC-MRXNPFEDSA-N	404.376	5.109	30	20	HKED	
COc1ccc(-c2csc(NC(=O)c3cc4ccccc4n3CC#N)n2)cc1Cl	609200605	PLZKUOLMMWLNHV-UHFFFAOYSA-N	422.897	5.203	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	609261131	QMKDGASLWUZIAA-JOCHJYFZSA-N	408.473	5.328	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1ccc(F)cc1F	609427857	XOSQUIRUUVAHSR-CYBMUJFWSA-N	412.465	5.106	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434351	XIGLBTWBBJZKSB-HSZRJFAPSA-N	413.477	5.728	30	20	HKED	
COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	609435323	HEKDNLJHTKFVLF-HKUYNNGSSA-N	409.555	5.328	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)nc1	609502060	AJSUVVWKTVQHMF-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
Cc1cccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C	609668075	FXDOBLFJGDNGMK-IBGZPJMESA-N	400.547	5.958	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)c2)c1	609693832	GHXQCAVWSGTLGI-WOJBJXKFSA-N	404.416	5.158	30	20	HKED	
Cc1cccc2sc(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)c(Cl)c12	611213021	JEJCRULZPFWUCC-UHFFFAOYSA-N	406.898	5.055	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H](c2ccco2)C1	614137773	SURYBSUIHLGBGM-OXQOHEQNSA-N	402.454	5.344	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2n1	642282199	UCUHFILKFNYBQB-HNNXBMFYSA-N	411.408	5.662	30	20	HKED	
Cc1ccc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2c1	674407876	MHIWWCVCZCVSBI-QGZVFWFLSA-N	401.466	5.660	30	20	HKED	
COc1ccc(C(=O)/C=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1NC(C)=O	726427294	JGHQFJXXYLPGNN-KHPPLWFESA-N	423.900	5.006	30	20	HKED	
N#CCCCOc1cccc(/C=C2\CSc3ccc(Br)cc3C2=O)c1	726743587	MSHXHQGQOWGQMR-XNTDXEJSSA-N	414.324	5.504	30	20	HKED	
N#Cc1ccc(SCC(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cc1	728675347	DIIDEFHWZXACNB-UHFFFAOYSA-N	412.514	5.094	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C2(Sc3ccccc3)CCCC2)ccc1OC	733229947	JNLTWTVAGJQMCP-LJQANCHMSA-N	424.566	5.097	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc(OC[C@@H]4CCCO4)cc3)c2)c1	734159704	HNSDCYCETMVOBA-SANMLTNESA-N	414.505	5.307	30	20	HKED	
Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	734998799	WWFIGKVXVGIBBZ-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
C=CC[C@@H](NC(=O)NC[C@H](CC)Cc1cccc(Br)c1)c1ccncc1	737048059	RRTFXVKYLQKHPF-OXQOHEQNSA-N	416.363	5.029	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F	738897943	XREFDPAAUMEOLT-FYYLOGMGSA-N	405.448	5.893	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1	742593373	OVDPPZYRFUTSQN-UGKGYDQZSA-N	421.541	5.144	30	20	HKED	
Cc1csc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)n1	743092805	DQBUXDGTHWDVRZ-LEWJYISDSA-N	402.523	5.380	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1c(C)cccc1F	743141671	WRGOSOYNKDJYPU-UHFFFAOYSA-N	403.457	5.215	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccccc3C(F)(F)F)n2)cc1	744036357	ZUXRFEYAMPBPQA-PBHICJAKSA-N	414.452	6.117	30	20	HKED	
CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(-c2ccccc2)cc1	744412026	LZUWEVRIIJFVLS-QFIPXVFZSA-N	404.473	5.027	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1	747204812	MZARIOYNHQLMRL-SNVBAGLBSA-N	419.161	5.112	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1	749026482	WTZBHMPROSVYGQ-QGZVFWFLSA-N	411.324	5.382	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1	752652072	CXEHAKKOSIHMTD-QMHKHESXSA-N	419.456	5.042	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	752680794	WLDMYUDUNPEKSN-PZJWPPBQSA-N	408.933	5.244	30	20	HKED	
O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CCc2sc(Br)cc21	754689853	VUJHDDCHJHPNCA-LCYFTJDESA-N	413.296	5.305	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNCc2cccc(Cl)c2)cs1	756830857	DHFMAYIXMZWOIR-UHFFFAOYSA-N	419.337	5.258	30	20	HKED	
C=C[C@@H](CC(=O)OCc1csc(-c2cccc(OC)c2OC)n1)c1ccccc1	758919429	GBKQDCADOZKQON-INIZCTEOSA-N	409.507	5.230	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	767152026	ICNIUHUVADEJHS-UHFFFAOYSA-N	407.244	5.145	30	20	HKED	
CN(C(=O)C(C)(C)C)c1ccc(OC(=O)c2cn(CCCC#N)c3ccccc23)cc1	774053290	OSBIDLMWQDJFAV-UHFFFAOYSA-N	417.509	5.173	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1cc(Cl)sc1Cl	774119736	NFJYCAWCWNDDRS-SREVYHEPSA-N	409.743	5.398	30	20	HKED	
CCN(C(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(C#N)c(Cl)c1	774147663	CWPZDUYYWMEOPV-UHFFFAOYSA-N	415.877	5.053	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(CN(CC)C(=O)C(F)(F)F)c1	776774557	LGQLFGQEQOZRDM-UHFFFAOYSA-N	422.472	5.128	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(C(F)(F)F)cc1	780668011	PVEAZALSMCVFDU-AUUYWEPGSA-N	405.420	5.515	30	20	HKED	
CO[C@@H](C)c1nc(COC(=O)c2ccc(Sc3ccccc3C#N)cc2)cs1	783982824	OGBPOTOJSMUCMZ-AWEZNQCLSA-N	410.520	5.230	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)sc21	791509528	LOPYUDSQOAGEFP-QGZVFWFLSA-N	422.460	5.480	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2c(F)cc(C#N)cc2F)c(Cl)c1	792139278	NGMQXFCPFHXYJD-UHFFFAOYSA-N	408.788	5.056	30	20	HKED	
O=C1/C(=C/c2ccc(-c3ccccc3Cl)s2)CCc2c1cnn2-c1ncccn1	792899625	JMKUQHQSECURBG-WYMLVPIESA-N	418.909	5.257	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3F)c2)cc1	792923105	FXJBWQQLYCGVLG-GDNBJRDFSA-N	403.453	5.003	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1ccccc1	793123235	JVSDOJOZDGLZDJ-SJORKVTESA-N	419.377	5.999	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1	797566923	BVFFUZXVYMNBFA-KRWDZBQOSA-N	412.555	5.315	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)ncc1Cl	806825825	UEUOIQNUZYAENH-SNVBAGLBSA-N	410.724	5.144	30	20	HKED	
CC(C)(C(=O)OC[C@H](C#N)Cc1cccs1)c1csc(-c2ccccc2F)n1	816000386	KOSZTOVXVZPJRK-AWEZNQCLSA-N	414.527	5.214	30	20	HKED	
N#C[C@@H](C(=O)Cc1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	915101973	PCIXKEQTGZQCNM-IBGZPJMESA-N	418.909	5.068	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1	915353462	NPPCCAMGPGLVJQ-DNQXCXABSA-N	415.924	6.364	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@H](C#N)c1nc2ccccc2s1	916847592	KVWTZVQLQNRJJI-HNNXBMFYSA-N	419.575	6.131	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1ccc2ccccc2n1	916848690	GGBKVYUEAAHQJW-DIEDAUMRSA-N	400.787	5.797	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1	916883501	RVWMIVQNFDZNEC-OAHLLOKOSA-N	416.289	5.078	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(F)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	916976104	JOPDSZFSCIAVKT-AWEZNQCLSA-N	421.280	5.511	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1Cc1ccccc1	917025121	DNUXITIMKAKGTB-JOCHJYFZSA-N	411.530	5.767	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2csc(-c3ccc(F)cc3)n2)SC1=S	917644090	AHNUYSYSVZZLQT-RQZCQDPDSA-N	423.519	5.227	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C(F)(F)F)cc3)n2)cc1	920141582	KFLAXLGYWDRFKS-QGZVFWFLSA-N	411.408	5.120	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1819311306	UWDJCPKQZDRPRQ-FWDQCLROSA-N	424.589	5.141	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)CC1	1829069221	RFMUGSNPXIFRQZ-PKTZIBPZSA-N	414.634	5.367	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(Cl)cc2)c1	10832686	IRBSZNBAYITJNR-UHFFFAOYSA-O	423.989	6.110	30	20	HKED	
C[C@H](Nc1ccc2oc(C3CC3)nc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	27042570	BLAHTUAQNVAGGF-ZDUSSCGKSA-N	420.538	5.346	30	20	HKED	
C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1-c1ccco1	36726009	BNXOBIJHEVWPNL-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
CCOc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC	46513814	QZAIQFYYJDDFRB-UHFFFAOYSA-N	404.491	5.369	30	20	HKED	
C[C@H](Oc1ccccc1Cl)/C(O)=N/c1nnc(SCc2cccs2)s1	50004772	VXZHWIHCQIADBH-JTQLQIEISA-N	411.961	5.601	30	20	HKED	
Cc1nc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)sc1SCC#N	107915287	CAKQNCNXSKDROF-UHFFFAOYSA-N	422.746	5.045	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(N2CCCC2)c1	237597907	MIJDBKVAYGRJCQ-NRFANRHFSA-N	411.549	5.588	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1cccnc1	302702752	TWPLJLMFWWKYNH-UHFFFAOYSA-N	407.930	5.328	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1	303449961	IDOWWPJNDDVUJY-UHFFFAOYSA-N	405.885	5.455	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccccc1C#N	409598681	DHEMOWWLTLQRHH-UHFFFAOYSA-N	413.861	5.225	30	20	HKED	
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1Cl	427276883	QJPMNQRYQFQLPG-LBPRGKRZSA-N	424.715	5.061	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)oc12	431775645	YOWINSALFRSIGH-PXNSSMCTSA-N	405.498	5.627	30	20	HKED	
C[C@]12CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C[C@@H]1C2(F)F	432771200	JSYQPTGLTXXIAC-ICSRJNTNSA-N	417.843	5.513	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cccc1-c1ncco1	433129534	ZTTSBUBPJUAQPD-UHFFFAOYSA-N	410.433	5.958	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1CN(C)c1ccccc1	433767298	VKQXRYPTAHGFAG-UHFFFAOYSA-N	410.521	5.415	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)c3cc(Cl)ccc3C#N)c12	436002381	QOWBTWXQPXIHOQ-UHFFFAOYSA-N	421.932	5.174	30	20	HKED	
CN(C(=O)c1ccccc1-c1ccccc1C#N)c1nc2ccc(Cl)cc2s1	436462190	QXHPAOPNIFAPCV-UHFFFAOYSA-N	403.894	5.765	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1CCC	437475287	PQCQNIJURIINJI-RBZFPXEDSA-N	423.340	5.312	30	20	HKED	
CCCc1c(NC(=O)C2(c3cccc(Cl)c3)CC2)cnn1-c1cccc(C#N)c1	440083048	WJACNWYBFGKXGA-UHFFFAOYSA-N	404.901	5.020	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)S[C@@H](C)c2cccc(C#N)c2)c(Br)c1	443158979	QVXWVUXJHAZQHY-KBPBESRZSA-N	403.345	5.451	30	20	HKED	
CCS[C@H](C)c1noc(CN(C)CCC(C#N)(c2ccccc2)c2ccccc2)n1	444648845	OHHACTIIBPRWAY-LJQANCHMSA-N	420.582	5.215	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C2CCC(c3ccccc3)CC2)cc1	463288906	QHTQORLHOYPFSY-UHFFFAOYSA-N	400.444	5.423	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)c1nc(Cc2ccccc2)no1	463928203	VJNBJTDDKDSMOC-SFHVURJKSA-N	410.477	5.806	30	20	HKED	
CCOc1cc(C)ccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	465452140	LCGQKJSXNLOXCA-UHFFFAOYSA-N	402.498	5.040	30	20	HKED	
N#Cc1cc(F)c(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c(F)c1	469204222	CFBOWBDCKNNOGK-FQEVSTJZSA-N	400.787	5.148	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C(C)C)C(F)(F)F	470351083	HCPSEOAHQPGWKA-IBGZPJMESA-N	405.420	5.154	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@]4(C3)OCc3ccccc34)cc2)cc1	473657620	GBVYPHRMSKTWNS-RUZDIDTESA-N	411.461	5.014	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)F)c1	474276819	RWBPNELTZXXQHO-CQSZACIVSA-N	411.292	6.067	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1cccc(C(F)(F)F)c1	474552496	UJKIAFWBOGFJNZ-NHCUHLMSSA-N	400.444	5.326	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1	475178380	YKDIOFFZQMTMOZ-RTBURBONSA-N	407.583	5.178	30	20	HKED	
CCC1(Cc2ccccc2)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	475563972	IKOCLFPZYIMYGE-UHFFFAOYSA-N	413.569	5.094	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1	475574224	KGMLRNYLKUHTKN-QFIPXVFZSA-N	405.542	5.024	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	475615418	KDSWAKWLNXTGHG-ZWKOTPCHSA-N	416.550	6.026	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccccc1Oc1ncccc1C#N	476374258	MHASDZDFCOXHDU-INIZCTEOSA-N	420.900	5.030	30	20	HKED	
C[C@@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	481291562	CTLFCHJXTMMMEH-MNOVXSKESA-N	422.335	5.259	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1-c1ncco1	481894914	OJVYPXIWNMGOMG-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	483440177	PRTYCWDUTHIXAC-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
N#CC[C@H](CC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1)c1ccccc1	483466811	XNTHGLYAKMOBRJ-RDGATRHJSA-N	423.516	5.061	30	20	HKED	
CCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	485341710	MCXXBKRGKHZWKP-LJQANCHMSA-N	407.905	5.255	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)N[C@H](C)c1cc2ccccc2o1	488734953	OZTAUJMYEFQDMJ-NEPJUHHUSA-N	419.428	5.076	30	20	HKED	
COc1cc(C)cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C	489677044	SOCKLOCSFKRWGX-UHFFFAOYSA-N	417.484	5.557	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C	495220008	IGHLLVFBOGONEP-UHFFFAOYSA-N	412.415	5.352	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccccc1OC(F)F	499522474	ZZPXQEVCYZXRAZ-JTQLQIEISA-N	416.371	5.298	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)ccc1NC(=O)CC(C)C	505500822	LNVYZUSVKDCPAG-SFHVURJKSA-N	418.324	5.281	30	20	HKED	
N#C[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)c(Cl)c1	505922584	JGNFMZBESOYXQB-QGZVFWFLSA-N	420.683	5.225	30	20	HKED	
COc1ccc(CN2CCC(c3nc4ccccc4s3)CC2)cc1OCCCC#N	506072919	UBJNCAWIBWAKMO-UHFFFAOYSA-N	421.566	5.367	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	509189004	ADRRKHIVVURQFY-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccc(F)c1)C1CC1	510915166	IKQUJEWBDVWFEB-UHFFFAOYSA-N	415.468	5.995	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1	512444398	OHDSHEFSRNAMJC-MRXNPFEDSA-N	400.906	5.528	30	20	HKED	
C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccccc1Cl	512763662	RYXVWUSRUCECLU-CYBMUJFWSA-N	423.925	5.475	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	512975946	RDLGSBJNKXCONJ-ZDUSSCGKSA-N	408.533	5.189	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	516858430	IMRROOCPSCCQFF-SFHVURJKSA-N	408.567	5.881	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc2c(c1)OCCO2	517532592	MYWWMXZVFKSSKK-DOTOQJQBSA-N	411.527	5.125	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)oc1C	517654588	ZHPNFRGGESBCAF-UHFFFAOYSA-N	423.472	6.069	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Cl	518115959	KCNPGKNNDAGHDC-LLVKDONJSA-N	401.340	5.046	30	20	HKED	
CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518895271	OGJPRBLDRFYSMJ-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1	519282068	YPUWNTJJFWEGNL-GOSISDBHSA-N	411.521	5.019	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COC(C)(C)C)c1	519449657	ILYSLMDYPKCGTI-QGZVFWFLSA-N	411.571	5.575	30	20	HKED	
C[C@@H](COc1cccc(F)c1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	520364464	XLOBTQZRNDGTSS-KRWDZBQOSA-N	420.509	5.187	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	521016099	GWQFVVKMFCABPL-XOBRGWDASA-N	403.309	5.193	30	20	HKED	
CN(C)C(=O)[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1	522545158	FQWNCQZJSRFLFW-JOCHJYFZSA-N	405.885	5.245	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)c3c(C)noc3n2)c(C)s1	522649179	YUKPAINWEAQXIY-AMXDTQDGSA-N	408.527	5.079	30	20	HKED	
CN(C)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	524391245	YSFYQGDVONJHMU-UHFFFAOYSA-N	405.885	5.109	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1	525047881	SZADHUUYUIRWBE-QGZVFWFLSA-N	423.582	5.637	30	20	HKED	
CCCn1c(SCc2nnc(-c3cccc(C#N)c3)o2)nc2cc(Cl)ccc21	525624825	ZGIWPKYFDBIKCN-UHFFFAOYSA-N	409.902	5.314	30	20	HKED	
N#C[C@@H](C(=O)c1ncsc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	525860094	SBXPSSNFEWNNEJ-ZDUSSCGKSA-N	423.469	5.702	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	531027346	KSORUKYBHKEDQE-AWEZNQCLSA-N	424.957	5.546	30	20	HKED	
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	531314695	KTFLOBYAESUXDM-CZTZKLFOSA-N	407.583	6.128	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)cc3cccnc23)cc1	535762174	AXPFEQCKPICBTR-UHFFFAOYSA-N	411.436	5.271	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C	537552562	FTVDUTQEOIXJLG-UHFFFAOYSA-N	413.477	5.650	30	20	HKED	
C=CCC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	540428883	BHJRYMQQHUYOHW-QGZVFWFLSA-N	421.419	5.158	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccccc4)o3)s2)cc1	541259244	IEHDRMGEUQNUMA-UHFFFAOYSA-N	418.503	5.214	30	20	HKED	
C[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc(-c2cccc(C#N)c2)cc1	542945591	SUAAITYDIMJVMJ-MRXNPFEDSA-N	421.447	5.116	30	20	HKED	
CSc1cccc([C@H](NC(=O)N2CCC(CC#N)CC2)c2ccc(F)c(F)c2)c1	543826294	XRJBUGOTPCJJEB-NRFANRHFSA-N	415.509	5.111	30	20	HKED	
Cc1cnc([C@H](NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)s1	543940536	YEWSTBUIAMXQEV-KSFYIVLOSA-N	416.550	5.502	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cccc1C(=O)Nc1ccccc1	544278513	YGNCCVIFBLCMOS-UHFFFAOYSA-N	424.504	5.316	30	20	HKED	
CC[C@@H](CC#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	546571558	PGBWMXJUZGTGFT-ZDUSSCGKSA-N	405.285	5.059	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)nc2)cc1	549229862	GRXDVFDLYJIIOW-UHFFFAOYSA-N	411.433	5.099	30	20	HKED	
CCc1c(NC(=O)c2cc(C#N)ccc2Cl)cnn1-c1cccc(C(F)(F)F)c1	552470604	AJUHBZAUQHTQQN-UHFFFAOYSA-N	418.806	5.231	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)c(F)c1	556915633	NWVOADQBHSPGOA-UHFFFAOYSA-N	419.422	5.047	30	20	HKED	
C[C@H]1CC(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](C)O1	558889603	QUATXILJAVBTCI-ROUUACIJSA-N	408.567	5.174	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C(C)(F)F)cc1	571466665	HEGYSQGJEWBXJR-UHFFFAOYSA-N	406.432	5.810	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)cc2)CC1	577241864	GZRIQCRTCYLEAY-UHFFFAOYSA-N	414.427	5.160	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)c(F)cc3Cl)cn2)c1	590153515	HNOHVDMQPAHTPX-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603691298	NUTOSFAOXCTPIJ-INIZCTEOSA-N	412.449	5.717	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccnc3Sc3ccccc3)cn2)cc1	603765096	TUKUIQLXWDRBEZ-UHFFFAOYSA-N	424.485	5.544	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(N2CCCCCC2)nc1	603969059	YIJWRHYOKYPSAN-UHFFFAOYSA-N	402.523	5.314	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4ccc(F)cc4)CCC3)cn2)cc1	604434005	VHGLXVXLWFHTPG-UHFFFAOYSA-N	402.429	5.086	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc12	605363022	DDUUWCOHRXPSDH-QGZVFWFLSA-N	411.490	5.070	30	20	HKED	
C=CCN(C(=O)c1cccc(OCCCOC)c1)c1nc(-c2ccccc2)cs1	607766403	SSFWGUPQCQITSI-UHFFFAOYSA-N	408.523	5.058	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4cccs4)cs3)o2)cc1	609054391	HRDHBPJAOFVEHZ-UHFFFAOYSA-N	407.476	5.168	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1	609369613	GOBVAFLYWKOSME-CYBMUJFWSA-N	410.486	5.688	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)s1	609414110	KQNOYQQENUKEMO-CYBMUJFWSA-N	422.362	5.410	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2)c1	609427228	XHXSVWQMNQDTPJ-UHFFFAOYSA-N	408.461	5.108	30	20	HKED	
CN(C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(C#N)cc1F	609558529	JTOWIWHRMDCHFQ-FGZHOGPDSA-N	400.453	5.043	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CSC2CCCCC2)c1	609726302	VZPCQGQVRJQSRH-UHFFFAOYSA-N	424.614	5.551	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3c(F)cccc3N3CCCC3)c2)cc1	609988919	OWQQMZIECRTXAP-UHFFFAOYSA-N	400.457	5.293	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c(Cl)c1	611507357	JULONLDKKZXPOI-HNNXBMFYSA-N	401.215	5.159	30	20	HKED	
N#C[C@]1(F)CCN(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)C1	615561291	XNJHCOTWQNMEPF-LJQANCHMSA-N	416.865	5.211	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)N[C@H]1C[C@@H]1C(F)F	672670145	FEOXEOHTEHJOOO-YUMQZZPRSA-N	408.314	5.135	30	20	HKED	
C=C(C)[C@@H](NC(=O)NCc1cccc(OCc2ccccn2)c1)c1ccc(F)c(F)c1	681297428	DFZPVQARWCZVTE-HSZRJFAPSA-N	423.463	5.055	30	20	HKED	
Cc1ccc(F)c(CN(C)C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	683536678	GLAJVZYXAZNKLI-WDNDVIMCSA-N	414.365	5.185	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3C(F)(F)F)n2)cc1	729892888	PAKHEWRALHDUQX-INIZCTEOSA-N	411.408	5.120	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](Sc3nc4cc(C(F)(F)F)ccc4s3)C2=O)cc1	730441016	PODZNNTULFRZHL-MRXNPFEDSA-N	419.453	5.084	30	20	HKED	
COc1ccccc1C[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	730688476	XPQUSRCWATZROF-KXBFYZLASA-N	424.953	5.917	30	20	HKED	
Cc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1F	731486557	ZZSHFIBTZZANGY-UHFFFAOYSA-N	411.889	5.417	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3c(Cl)ccc4cccnc34)cc2)nc1	732398584	LCFPBUSLXPNBJR-UHFFFAOYSA-N	415.836	5.304	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl	732435852	RVEYJCUBSQRMPG-SJKOYZFVSA-N	424.353	5.243	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCc2ccccc2C1)c1nc2cc(C(F)(F)F)ccc2s1	732596003	GSNDHTGTVWEBDR-GUYCJALGSA-N	414.452	5.687	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)c1	733770856	IBQPNWFDDNHVMU-QFIPXVFZSA-N	420.553	5.140	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)c1	733771322	RXGJRNOUPCBYCT-CJNGLKHVSA-N	423.365	5.471	30	20	HKED	
COc1cc(C(=O)/C=C/c2c(-c3ccccc3)nn(C)c2Cl)ccc1OC(F)F	734753018	NUOGKTYOFKPCGH-MDZDMXLPSA-N	418.827	5.247	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	735507616	MIERMCKSQZZMNG-QFIPXVFZSA-N	406.869	5.117	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)cc1	744033667	UMSACINHMOLOGE-FQEVSTJZSA-N	416.477	5.214	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	747112151	RIAZJWPGUCPLBM-CYBMUJFWSA-N	423.510	5.025	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)n1	747198475	XHZIXBKJOUCXEU-OAHLLOKOSA-N	401.944	5.462	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	748402693	QJVGXVOCRAKWNE-JTQLQIEISA-N	411.672	5.011	30	20	HKED	
O=C(/C=C/c1cccc(OCc2ccccc2F)c1)c1ccc(N2CCOC2=O)cc1	748584405	PSSUAMKOXQYZTK-MDWZMJQESA-N	417.436	5.257	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1csc2ccccc12	754731236	LFLBOUFRRPWDQY-HOTGVXAUSA-N	409.580	5.585	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc(F)cc(F)c2)cs1	755707603	ZZSXCNISRJBKDO-DAXSKMNVSA-N	402.397	5.141	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(C(F)(F)F)ccnc2Cl)cc1	759475287	JFRQRQWRYRQPQX-INIZCTEOSA-N	415.802	5.662	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1	760180318	AJASSDMHPZKDDG-HXUWFJFHSA-N	400.478	5.109	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1ccc(C(F)(F)F)cc1	764307777	VCLXZZGXIPJIFI-SNVBAGLBSA-N	411.767	5.271	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2ccc3ccccc3c2)c1=S	764859806	GLQURYVVQZLOQI-UHFFFAOYSA-N	415.566	5.295	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	767203353	ACRBERBGAISZEF-UHFFFAOYSA-N	417.214	5.209	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)OCC3(C#N)CCC3)c12	768091843	TUBDMRXQCRZQBO-UHFFFAOYSA-N	415.371	5.068	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CSCc3ccccc3)n2)cc1	772976582	ZBKDOAFLHOJYDF-OXJNMPFZSA-N	422.575	5.564	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)c1	772985777	YUEZNKBODLOSOX-IFMALSPDSA-N	417.578	5.967	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(C)C	773037289	NZAKLHYBRCLJNI-NRFANRHFSA-N	421.463	5.306	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cn(C)c2ccccc12	773982651	KUSNKMPIIFBIMH-KBXCAEBGSA-N	419.937	5.935	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc2[nH]ccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	776080367	IFQZZZKMJRSFSZ-HNNXBMFYSA-N	413.424	5.605	30	20	HKED	
COc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1NC(=O)C1CCCCC1	777697058	KBZDXOJISLXEMQ-QFIPXVFZSA-N	403.526	5.575	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1	778210154	FZSHMRIHAFAZQN-OXQOHEQNSA-N	400.906	5.191	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1	778607165	SFTUWAHMNGAGRR-GFCCVEGCSA-N	419.161	5.112	30	20	HKED	
COc1cc2c(cc1NC(=O)c1cc(C)n(-c3cccc(C#N)c3)n1)oc1ccccc12	779714821	IKFUPADGWVZQLD-UHFFFAOYSA-N	422.444	5.213	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c(F)c1	781108535	QEZNMGSBHIMOOJ-LUAWRHEFSA-N	404.828	5.499	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(SC(F)F)cc2)SC1=S	781550222	OMRYTJJTTITWRH-OQLLNIDSSA-N	404.488	5.279	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@H](C)c1ccc(C#N)cc1	782322801	OGCSHCGGCUQVLJ-GFCCVEGCSA-N	400.356	5.459	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C(F)(F)c1ncccc1C	782469862	OUQVDURLNZXSEG-UHFFFAOYSA-N	409.411	5.034	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)n2)c(Cl)c1	782673502	RUNAWTDEOCGJMN-QGZVFWFLSA-N	412.280	5.030	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)c(-c2ccncc2)n1	788349161	JJFVFZLLXXLUAN-NSCUHMNNSA-N	403.294	5.123	30	20	HKED	
CCc1c(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccncc2)oc2ccc(C)cc12	788349568	LLDQNZZNALDZDY-VOTSOKGWSA-N	410.477	5.372	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nccc2ccccc12	792094092	MTPWLAHNCRVMLQ-HXUWFJFHSA-N	420.559	5.359	30	20	HKED	
CC(C)c1c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1-c1ccc(Cl)cc1	792495061	KIXROLCBRNRBSX-HNNXBMFYSA-N	423.904	5.584	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=S)Nc1ccc(Oc2ccccc2)cc1	795130996	IWJCVQGSXHJYKT-UHFFFAOYSA-N	408.523	5.339	30	20	HKED	
N#C[C@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1	796757333	WHVPBDGBDOBTPM-SEEARECTSA-N	418.415	5.824	30	20	HKED	
COc1cccc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1	796813080	VYTQEJRWSNNENB-HNNXBMFYSA-N	416.424	5.232	30	20	HKED	
C=CC[C@@H](OC(=O)CSc1nncn1C(C)C)c1ccc(Cl)c(Cl)c1	797552675	HMIGKIITFYXASF-OAHLLOKOSA-N	400.331	5.119	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCC(=O)c2cc(Cl)sc2Cl)s1	797569567	SGGGXTOCXMMGJH-SNVBAGLBSA-N	415.367	5.648	30	20	HKED	
N#Cc1sc(NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nc1Cl	804443961	RJPDXXFEAMTWME-UHFFFAOYSA-N	401.750	5.051	30	20	HKED	
CC(C)(CCC#N)CN[C@@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1	806178292	RKWAYBRNNVJMAT-NRFANRHFSA-N	417.569	5.433	30	20	HKED	
O=C1/C(=C\c2ccc(-c3nc4ccccc4s3)o2)C[C@H](C(=O)O)c2ccccc21	806561770	ZTBPWBJENXUPGQ-MOJYJUKOSA-N	401.443	5.395	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CCOCC1	814492720	FZJHKARHXZGPTH-UHFFFAOYSA-N	407.388	5.223	30	20	HKED	
CC(=NNCCC(F)(F)F)c1sc(-c2ccccc2Br)nc1C	814920555	POIDPFLKWKPXKF-UHFFFAOYSA-N	406.271	5.147	30	20	HKED	
COc1ccc(-c2cc(CON=C(C)c3nc4ccccc4n3C(F)F)on2)cc1	913033346	FODLDRJQAAIOBZ-UHFFFAOYSA-N	412.396	5.036	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915199500	DEBAPBLUQUMFCV-VWLOTQADSA-N	420.516	5.456	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2)cc1	916449991	WATMMKGABZECOU-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1	916896207	AIGKORVDEXBDEX-QFIPXVFZSA-N	418.880	5.189	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	920108276	RSKPBNCFNAHNOS-YVEFUNNKSA-N	408.807	5.200	30	20	HKED	
CC(C)CCSCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	920111797	ZOAUSXPKKLKDCX-AWEZNQCLSA-N	413.395	6.072	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3ccc(Cl)cc3)n2)cc1	920142355	BUCMMMMXFDCSNF-GOSISDBHSA-N	410.926	5.626	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1ccc(F)cc1	920264914	CPQOPMZMKCMKNT-HXUWFJFHSA-N	416.481	5.242	30	20	HKED	
C[C@H](Cc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	921131499	KJNSLOUMRYXAJH-ABAIWWIYSA-N	406.404	5.509	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1	1820902765	VKONGNSDRBVUJP-SJFMBGHLSA-N	412.578	5.141	30	20	HKED	
C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1	1832828345	IRHUIYIVAFNDTR-QFIPXVFZSA-N	402.623	5.016	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1Cl	14133482	DFMMJEHTOAOSMW-UHFFFAOYSA-N	419.337	5.169	30	20	HKED	
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1	24000581	RSKUUADRZQWZKX-SFHVURJKSA-N	420.538	5.089	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c3c(C)noc3n2)c(C)o1	25439592	JEOJDPNCEXSSTL-UHFFFAOYSA-N	414.465	5.462	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccccc3)n2)nc2cc(Cl)ccc2c1=O	36849235	UYWLFERIMVVWMY-UHFFFAOYSA-N	409.898	5.183	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	63962497	PIHZPQCCDUMDLX-UHFFFAOYSA-N	409.445	5.046	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[nH]c(C)c1C(C)=O	65680405	DJGQCNJEVCSLDN-UHFFFAOYSA-N	401.466	5.395	30	20	HKED	
CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Cl)s1	104909331	XTWXHHDVDFBHJX-UHFFFAOYSA-N	407.992	5.064	30	20	HKED	
COc1cc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cc(OC)c1OC	207732054	QEFDQEGTPXQHBD-WJDWOHSUSA-N	407.491	5.048	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	303429927	FMJXQCMNYBRCKX-SJORKVTESA-N	405.281	5.220	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)c1	303451077	JOXYSLOMSURNDM-RTBURBONSA-N	415.320	5.039	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)N1CCc2ccccc2C1	303669310	CWYULSMBLVKNET-IBGZPJMESA-N	411.505	5.044	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)s1	303802714	AJVWVRKPUXBNQN-QGZVFWFLSA-N	419.550	5.298	30	20	HKED	
Cc1cc(C)c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Br	428930503	MNKUFBXCOFRHKI-UHFFFAOYSA-N	423.314	5.095	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc(C#N)cc3Cl)cc12	430353147	BRETZPDDEJQPEX-UHFFFAOYSA-N	406.898	5.232	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccnc2OCc2ccccc2F)s1	430625038	KBJIJRSNLKYQDP-INIZCTEOSA-N	409.486	5.044	30	20	HKED	
Cc1cnc(C2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)s1	432485635	MVUDROKTMROJGL-UHFFFAOYSA-N	419.575	5.494	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Cl)c(Br)c1)c1ccccc1	433020851	UUOIDHFTOXNCPY-QGZVFWFLSA-N	406.711	5.659	30	20	HKED	
CCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(F)(F)F)n1	435781046	ZIAUPXFSLCRDBG-LBPRGKRZSA-N	424.835	5.189	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(COc2ccc(Cl)cc2Cl)o1	436199020	RFJCAHVIXMUFKP-UHFFFAOYSA-N	400.331	5.768	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCS[C@H](C(C)C)C1	437964925	QWVQONLHRLNTND-QFIPXVFZSA-N	409.555	5.051	30	20	HKED	
Cc1cccc(F)c1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444920176	KRMZMLLBFZNHPQ-AWEZNQCLSA-N	408.317	5.968	30	20	HKED	
COc1ccc(C2(c3noc(-c4cccc(SCC#N)c4)n3)CCCC2)cc1OC	445829274	ZXDXMUZNAIYOON-UHFFFAOYSA-N	421.522	5.230	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C	460808957	KQOXRVSKDXUVNT-UGKGYDQZSA-N	420.532	5.093	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)Nc1ccccc1SC[C@@H](C)C#N	463208309	WYNMSLNPQKVQMO-HOTGVXAUSA-N	400.569	5.380	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1Cl	463593522	UAUXSIIYYGZFCL-INIZCTEOSA-N	404.775	5.860	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@](C)(C#N)C(C)(C)C	464165389	UXKALKMKJWSQFG-HXUWFJFHSA-N	403.935	5.020	30	20	HKED	
N#CCc1ccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cc1	464539112	TXMDTZBAKYHPQJ-UHFFFAOYSA-N	423.881	5.718	30	20	HKED	
Cc1ccc2c(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c[nH]c2c1	465077079	YKJWGMXDDIHVMB-UHFFFAOYSA-N	423.516	5.693	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccsc4)C3)cc2)cc1	467897435	GJKDVPQQAQJJIO-OAQYLSRUSA-N	405.479	5.017	30	20	HKED	
C=CCC[C@H](NC(=O)c1scc(C)c1I)c1ccccc1	469024091	PBVCIULHOBCDQV-AWEZNQCLSA-N	411.308	5.098	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)NCc1cc(C#N)ccc1F	469416054	LMRGILQZASUQEP-HNNXBMFYSA-N	408.502	5.032	30	20	HKED	
CC(C)CCN(CCC(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470548818	YKHQLPLKSWMCKM-UHFFFAOYSA-N	412.578	5.196	30	20	HKED	
N#Cc1csc(CN2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1	470554139	VTBQMQDJUSUVIK-INIZCTEOSA-N	420.378	5.231	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	471869370	AHXHXSCYYJNEOW-UHFFFAOYSA-N	405.542	5.709	30	20	HKED	
COc1ccc([C@@H](C)[C@@H](C)NC2CCC(Oc3ccccc3C#N)CC2)cc1OC	474813635	AAWPENNCPNDWSJ-PDYGVTHMSA-N	408.542	5.047	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)C[C@H](c3cccs3)n3cccc3)s2)cc1	478595484	WSOPWGVRVJCKBQ-LJQANCHMSA-N	418.547	5.087	30	20	HKED	
Cc1onc(CC(=O)N[C@@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c1C#N	482129477	CDOJCDGHGDTQGR-NSHDSACASA-N	419.428	5.022	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1Cl	483663789	SHYAWYNBAVCSDO-AWEZNQCLSA-N	401.869	5.253	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1	485733736	NORCMQZNOLUZIS-UHFFFAOYSA-N	420.509	5.286	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNc2ccc(CCC(=O)N3CCCC3)cc2)cc1	486120549	MYXKUJLMDAWRFU-UHFFFAOYSA-N	409.533	5.392	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)c2)cc1	486477551	ZSEFCEDOHBIBOZ-QFIPXVFZSA-N	412.445	5.057	30	20	HKED	
C=CCC[C@@H](NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(C(F)(F)F)cc1	486924022	BJCOGMPYMWFNMU-LVVKEOKUSA-N	421.503	5.550	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl	488177415	HSLIYYWNTRNXIY-OAHLLOKOSA-N	409.361	5.620	30	20	HKED	
Cc1cccc([C@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccccn2)c1	498361343	AFWJGRLPHBZVKM-NDEPHWFRSA-N	419.528	5.720	30	20	HKED	
CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	498832685	VBJACTDXGLOBPI-UHFFFAOYSA-N	408.429	5.299	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)CC1	499254170	UKTUDFPTWFGBPV-PEYKZSFISA-N	415.581	5.033	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)n2)c1	501152949	ZWDFZOBBCLPYPM-UHFFFAOYSA-N	420.494	5.120	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	505320927	NVAKNAXVLHTCCG-HXUWFJFHSA-N	406.272	5.527	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4sc(N(C)C)nc4s3)n2)cc1	505439328	GHZVVUZHTSUGOE-CYBMUJFWSA-N	424.576	5.346	30	20	HKED	
COc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510003797	DRXJLDFXUDCCPJ-HXUWFJFHSA-N	405.885	5.326	30	20	HKED	
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510660166	FRKZTSKXIGSQTQ-UHFFFAOYSA-N	415.449	5.133	30	20	HKED	
COc1ccc(Cl)cc1N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	510716905	PCGMZBBITLFOFS-UHFFFAOYSA-N	406.869	5.484	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1F	511122351	PXFMVGUZFUENEM-ACJLOTCBSA-N	420.257	5.031	30	20	HKED	
COc1cccc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	511677531	MUMJNLJLNRWQRU-UHFFFAOYSA-N	402.519	5.131	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cc(OC)cc(OC)c2)cc1OCC	512980470	VWYYADFVDVYZRK-UHFFFAOYSA-N	422.319	5.042	30	20	HKED	
C[C@@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)n1cccc1	517080930	QNJJPXLHQPOJAD-ZDUSSCGKSA-N	418.444	5.016	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCC(F)(F)F)c1	517530150	OLQHHKGFOYRJKQ-CQSZACIVSA-N	423.460	5.344	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CCc3ccc(F)cc32)cc1OCC	517561438	MSGGLDOGYJOSBT-LJQANCHMSA-N	420.322	5.329	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)CCCCC1	518827701	IOZOKAONNOMXPX-QFIPXVFZSA-N	401.510	5.076	30	20	HKED	
CN(CCCOc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	519196452	CTLKEKHZKBLWFR-UHFFFAOYSA-N	401.466	5.283	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	519516651	WVPOCROFOFHWSO-LSDHHAIUSA-N	410.568	5.390	30	20	HKED	
CCSc1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	521261371	REBNDWCBZYAEND-ZDUSSCGKSA-N	400.475	5.690	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)n1	522311908	SELKVNLFCQNADE-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	522587402	MUIYRXDMVJIAPO-UHFFFAOYSA-N	404.297	5.010	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1	524943581	LVAUOTTWYBOBRN-MOPGFXCFSA-N	418.415	5.034	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1	525137304	NNGYKKFYSMERBR-UONOGXRCSA-N	419.344	5.107	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](NC(=O)Nc2cc(C#N)ccc2C)CCC3)cc1	531081442	IBFQGQZGAOYECT-LJQANCHMSA-N	418.522	5.198	30	20	HKED	
C=C[C@@H](CC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccccc1	534625626	OMYUGLHAMSWAFA-CTNGQTDRSA-N	416.521	5.206	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nn1[C@@H](C)C1CC1	539631472	LCKKNQSCFBGLGA-AWEZNQCLSA-N	402.523	5.114	30	20	HKED	
N#CCC1CCN(C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)CC1	541969805	LKXGMMRCSSGGTA-UHFFFAOYSA-N	403.910	5.788	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1)C2	548965635	FQEDULBUBCUNKT-VABKMULXSA-N	422.960	5.142	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CN2CCCC2)cc1	549084853	QSNNPEYDNQRGGA-UHFFFAOYSA-N	411.505	5.507	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	554161360	RFKUSXBAPKTEBB-UHFFFAOYSA-N	417.465	5.046	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	555882096	DTTRRCCVQGSUTK-QGZVFWFLSA-N	419.506	5.262	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1	558270434	MFBVXISLWWYJLP-UHFFFAOYSA-N	413.477	5.500	30	20	HKED	
Cc1ccc(-c2nc(CCNC(=O)c3sc4ccc(C#N)cc4c3C)co2)cc1	559443216	PISSWKPCEKLZGU-UHFFFAOYSA-N	401.491	5.017	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc(Cl)c1Br	560227257	LPAUVQJPIDNLAN-NSHDSACASA-N	417.612	5.315	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc3sccc3c2)cc1	569626447	JVLOJMXXQPVQJR-UHFFFAOYSA-N	405.523	5.037	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1	569984345	LWLMJQJPELSXKN-MRXNPFEDSA-N	401.422	5.309	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)C2)c(F)c1	570951609	FTJRCKXXZKALIB-QGZVFWFLSA-N	421.422	5.108	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F	571806309	BYTIHLVRAFYNFS-NRFANRHFSA-N	411.839	5.137	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	574435763	RCSSRUOOZAQRHS-KRWDZBQOSA-N	415.276	5.174	30	20	HKED	
N#CCCCCCC(=O)Nc1c(-c2ccccc2)nc2ccc(Br)cn12	588977700	GKQVDIINGVCDHR-UHFFFAOYSA-N	411.303	5.176	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3nc(-c4cccc(Cl)c4)no3)cc2)ccn1	589568030	VLWDFVUZVDQOHK-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1	603472194	OLFQHMIGKJWXLN-UHFFFAOYSA-N	412.436	6.122	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)cc4cccnc34)s2)cc1	603953018	HMQFSPXMKOELPW-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccs3)cc2Cl)cc1	604088092	BDTHFGGXLFYHTI-IBGZPJMESA-N	423.925	6.434	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2cccc(F)c2)CC1	606970382	COZVOSLRWLCJFL-VXGBXAGGSA-N	412.349	5.024	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Br)o1	609062379	HYAKWRIUCPRMIR-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C	609188337	LTAGQYGZSUWULH-UHFFFAOYSA-N	423.586	5.533	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc2ccccc2c1	609388158	NTJHLZFYSXTHOH-QGZVFWFLSA-N	406.576	5.963	30	20	HKED	
COc1ccccc1CS[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	609852802	QNXWYDAGFAUJLP-CQSZACIVSA-N	400.569	5.158	30	20	HKED	
COc1ccc(CCCCCC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1	610054210	BSMMAXBRHGOAGX-UHFFFAOYSA-N	416.525	5.111	30	20	HKED	
C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1C(F)(F)F	610223143	SGOSFUVZJIUAIN-CYBMUJFWSA-N	415.440	5.367	30	20	HKED	
Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	611302894	DLLHKASFTRVZCB-MRXNPFEDSA-N	420.900	5.377	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N1CC[C@](F)(C#N)C1	615536717	HKNLTYYSLLRFRP-QHCPKHFHSA-N	423.467	5.201	30	20	HKED	
C=CCN(C(=O)CCC(C)(F)F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	617943915	TWFYZBWSCLNNNL-UHFFFAOYSA-N	412.505	6.432	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cnc2ccccc2c1C(F)(F)F	641906661	PDRKPADLABOHSU-UHFFFAOYSA-N	422.328	5.054	30	20	HKED	
O=C(CCCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	681136744	BRZMTIHHWKRMIT-BETUJISGSA-N	421.303	5.227	30	20	HKED	
Fc1ccc(Cn2cc(CNC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cn2)cc1	681971304	HMYMIKMETJVQLS-GJZGRUSLSA-N	423.376	5.070	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1OC	727267361	IALIWSBQZNKISS-YHYXMXQVSA-N	413.470	5.180	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Oc3ccc(Cl)cc3C2=O)cs1	729149074	BQSNTTKWCNKZII-VXLYETTFSA-N	410.882	5.406	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc2cc(F)ccc2s1	730417985	VNYPEIQYULOVTF-RQMBKDMJSA-N	406.482	5.646	30	20	HKED	
COc1cccc2cc(C(=O)/C=C/c3ccc(OCc4occc4C(=O)O)cc3)oc12	730950974	IAKVZWREYCUASN-JXMROGBWSA-N	418.401	5.208	30	20	HKED	
CC(C)c1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	730954550	CLDDGXXEFHZEPV-UHFFFAOYSA-N	423.529	6.643	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)c1cccc(C(F)(F)F)c1	731645902	UKHZUFYOFYZCDY-FQEVSTJZSA-N	416.349	5.645	30	20	HKED	
CCCN(C(=O)NCc1cccc(O[C@H](C#N)CC)c1)[C@H](C)c1ccccc1OC	733804301	BNSQBTZSPSYQRD-QUCCMNQESA-N	409.530	5.059	30	20	HKED	
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1	734082379	BMQYARBGTNLFGQ-JOCHJYFZSA-N	409.514	5.604	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cnc4ccc(Cl)cn34)s2)cc1	737443118	GUIXGUOXFRCORU-RMKNXTFCSA-N	409.898	5.324	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN(CC)[C@H](CC)c2ccncc2)c1=S	739888397	TYUKAPKTQACGAX-OAQYLSRUSA-N	407.587	5.017	30	20	HKED	
CC(=NNC1=NC(=O)/C(=C\c2nccc3ccccc23)S1)c1cccc2ccccc12	740872206	JIMPBQAJOVGLQY-PYDUDBHFSA-N	422.513	5.372	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)n1	747193716	NWINHUSGAGPUID-MRXNPFEDSA-N	413.593	5.814	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1c(C)cccc1C	749102368	LUWUTZWPXDBMDP-UHFFFAOYSA-N	407.352	5.590	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C#N	752294205	FWMTZIUOFKPIGH-LJQANCHMSA-N	412.877	5.149	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CCC(F)(F)F)cc2)cc1	752476895	FGSXAYZUAVVPBQ-YWZLYKJASA-N	416.443	5.656	30	20	HKED	
CSc1cc(O)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	754496384	YRSGHUPWWIFHMF-UHFFFAOYSA-N	410.882	5.684	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1nc(-c2ccccc2)cs1)CCCCC3	755525160	OHEGXJATWKBCEI-UHFFFAOYSA-N	420.563	5.041	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1Cl	760285172	NPAYCLQSIZQTKN-LJQANCHMSA-N	413.333	5.336	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1	761654423	BZENGMQRPCEBHZ-IBGZPJMESA-N	415.877	5.354	30	20	HKED	
CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H](c1ccncc1)c1ccc(Cl)cc1	761662521	QYZLLOGAJRANCX-NRFANRHFSA-N	424.863	5.030	30	20	HKED	
Cc1cc(Br)ccc1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	762994376	IMZAMPCCHUFDFL-KRWDZBQOSA-N	411.324	5.300	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(C(F)(F)F)nc1O	764432879	OJINBERHFVKSSY-WZUFQYTHSA-N	417.358	5.420	30	20	HKED	
O=C(CCc1cc(Cl)cs1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764753403	OFAJDCDGYBYHBF-UHFFFAOYSA-N	404.706	5.048	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN(CCC)Cc2ccc(C#N)cc2)c1=S	764896276	BVQDCHJUAXQNIS-UHFFFAOYSA-N	409.584	5.070	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](c3ccccc3)[C@H](C)C2)c1=S	765032028	BVAVXCNTUGABAW-KNQAVFIVSA-N	419.598	5.135	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Cl)nc1C	766335471	DAQTUTNSAHSYJB-UHFFFAOYSA-N	407.876	5.139	30	20	HKED	
CCC(C)(C)c1ccc(OC(=O)CCc2c(C)nn(CCC#N)c2C)c(Cl)c1	766559254	IKUGFRQLIKFNRV-UHFFFAOYSA-N	401.938	5.293	30	20	HKED	
O=C1/C(=C/c2cncs2)CCc2nc(-c3ccc(Br)cc3)sc21	767727791	CGMOUDCYLGMJKU-YRNVUSSQSA-N	403.326	5.242	30	20	HKED	
N#C[C@H](OC(=O)c1oc2ccccc2c1CSc1ncccn1)C1CCCCC1	776378125	AFGSIBXEZLVLAR-IBGZPJMESA-N	407.495	5.144	30	20	HKED	
COCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(C)o1	778257565	VMGWVKKXGDLBDR-YADHBBJMSA-N	403.482	5.143	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	780677266	UYANPKXLXQNRCO-NYHFZMIOSA-N	423.875	5.681	30	20	HKED	
Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	780680736	IDYNKRHKJIQKCM-IBGZPJMESA-N	403.482	5.156	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)C[C@H](CC)Oc2ccc(Cl)c(Cl)c2)c1	787198363	WSOOEVJHVDELDW-INIZCTEOSA-N	407.366	5.461	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cnc(-c4ccco4)s3)cc2F)c1	787266430	BUZUYLVBCBYVED-UHFFFAOYSA-N	405.454	5.605	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C	791007911	WRJKPZPVEFWGFR-UHFFFAOYSA-N	422.569	6.457	30	20	HKED	
Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3sc4ccc(C#N)cc4c3C)o2)c1	796623772	DWZZLPFBTKIUOK-CQSZACIVSA-N	403.463	5.358	30	20	HKED	
CN(Cc1ccccc1)C1CCC(=NNc2ncnc3sc4c(c23)CCC4)CC1	797785495	GWVJHDZWYVBAJC-UHFFFAOYSA-N	405.571	5.023	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2	800563182	UJSDOEZZAMPTIZ-UHFFFAOYSA-N	419.447	5.106	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3n[nH]c(C4CC4)c3C#N)c3ccccc3n2)c(C)c1	807701760	QNWNAJULFXPLKI-UHFFFAOYSA-N	407.477	5.243	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Oc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	813218370	VFZDCPNTRBNRRL-LJQANCHMSA-N	412.367	5.148	30	20	HKED	
N#C[C@@H](Cc1ccccc1)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814772035	MIEJPTPLXXECQS-VXIUPONVSA-N	406.557	5.740	30	20	HKED	
C=CCOc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)c1	844255491	DNJLXESZDIWBLV-QGOAFFKASA-N	411.914	5.401	30	20	HKED	
C=CCCC[C@H](C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1	883985800	CJIVYFXUGVNURP-PMACEKPBSA-N	409.492	5.334	30	20	HKED	
C=CCCC[C@@H](c1ccccc1)c1nc([C@@H]2CCC(=O)N(CC3CCCC3)C2)no1	904833493	CHHFUZBDOSSUQW-YADHBBJMSA-N	407.558	5.454	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(F)F	915088435	RNICMXYYABIQSP-LJQANCHMSA-N	408.404	5.204	30	20	HKED	
Cc1cc(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3n2C)c(C)n1C1CCCCC1	916843440	HRACDPSEGXRCPV-ARKBFRDHSA-N	400.526	5.387	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(SC(F)(F)F)cc1	916916680	ZRSNBHMGIGIVBH-QGZVFWFLSA-N	414.408	5.413	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)ccc2c1	916936528	NOJPBEYCRPBGEN-VZJZHNIPSA-N	422.843	5.002	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	916976114	KJSPFBNXZMBPSV-KRWDZBQOSA-N	408.935	6.097	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(CCCC)CC(F)(F)F)c1=S	917450612	MCRSFOJZKPBDDD-UHFFFAOYSA-N	402.461	5.028	30	20	HKED	
COc1ccccc1[C@H](C/N=C\c1c(O)ccc2ccccc12)NC(=O)OC(C)(C)C	917559128	HFVCDHMHYRLHBC-VZHNIDSUSA-N	420.509	5.239	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1Cl)C1CCCCC1	917755357	WOMYCKXEBNPXHP-KAMYIIQDSA-N	421.928	5.268	30	20	HKED	
CN(CCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	919773645	WJFWBHZAZKTFOO-RUZDIDTESA-N	412.537	5.380	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc2ccccc2c1	920101778	IIKKUWTZVAWJGP-NRFANRHFSA-N	408.457	5.184	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)OCc3ccccc3Oc3ccccc3C#N)ccc12	1521371014	VDDWSYPDVMNFPE-UHFFFAOYSA-N	410.429	5.270	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CC4)CCC3)cc2)c1	1792123407	YVBYTMOVMSJYQV-RORWEDLISA-N	413.521	5.028	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4ccoc4c3)CC2)C1	1805458478	MEZVIQDXIYATSP-UHFFFAOYSA-N	420.553	5.046	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccccc1Cl	10826119	KZQWSVSYRMRLND-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1cccc(C)c1	17708668	QLFGAVDVAVZPQQ-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)cc1	71944218	HKRPXIUUSPJOAU-HNNXBMFYSA-N	418.884	5.347	30	20	HKED	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	107647514	OYHORMPSYLZUCL-IGCHPXFFSA-N	418.880	5.162	30	20	HKED	
C=CCOc1c(Br)cc(CNC(C)(C)c2ccccc2OC)cc1OC	237104231	UGNCMVWJKXFXKE-UHFFFAOYSA-N	420.347	5.056	30	20	HKED	
C[C@H]1C[C@@H](C)CN(Cc2ccc(CNCc3cccc(OCCCC#N)c3)cc2)C1	237688088	PIHVPKKDUAJQDM-SZPZYZBQSA-N	405.586	5.137	30	20	HKED	
O=C(NC[C@H]1CCC(F)(F)C1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	432489261	OORBRQMOZPNQJQ-CABZTGNLSA-N	404.301	5.043	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438644734	WTRWVYPRFRYFEB-UHFFFAOYSA-N	400.404	5.139	30	20	HKED	
COc1cccc(C=C2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)c1	444264979	KSTMKLRCRCSZTE-UHFFFAOYSA-N	413.521	5.273	30	20	HKED	
CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccc(C#N)cc3)cc2)C1=O	445985223	IRARBIZOJKRBSB-QHCPKHFHSA-N	411.461	5.270	30	20	HKED	
Cc1ccc(C(C)(C)CN(C)C(=O)c2occc2COc2cccc(C#N)c2)cc1	460530108	HFYWECROJPDETQ-UHFFFAOYSA-N	402.494	5.089	30	20	HKED	
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	460582695	JGOBVBNEAKKJOK-GOSISDBHSA-N	421.595	5.458	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H](C)c1cccs1	460784122	NACLOMUBCKZACJ-INIZCTEOSA-N	414.600	5.414	30	20	HKED	
FC(F)Oc1ccc([C@@H](NCc2cncc(C(F)(F)F)c2)C(F)(F)F)cc1	463163051	LNLFGKVZRINXEP-CYBMUJFWSA-N	400.269	5.095	30	20	HKED	
CN(C(=O)CCCC#N)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1	464259991	DVHHOMAFZCCLMR-LJQANCHMSA-N	405.723	5.344	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1	465414265	GICLXMJUSZVGBN-IBGZPJMESA-N	401.491	5.729	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	465855005	NEMQSCPWSVJEPP-SFTDATJTSA-N	416.550	5.100	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccccc2Sc2ccccc2C#N)C1	467752748	HOLLDGVBTNCMEE-CIQXWFTPSA-N	420.578	5.111	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12	471164817	JIFQZZYKAYSNHH-UHFFFAOYSA-N	410.543	5.421	30	20	HKED	
Cc1cc(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(C(F)(F)F)o1	472032840	UZZBHMXUPSISHH-NSHDSACASA-N	419.243	5.659	30	20	HKED	
Cc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nn1C(F)F	474257904	GYZNXHJZRBAJPH-LBPRGKRZSA-N	415.284	5.029	30	20	HKED	
COc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	474261600	AIBDSYXEZXVJAZ-OAHLLOKOSA-N	409.301	5.277	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	477545635	WQTUMZRPDDCFOW-DNVCBOLYSA-N	421.488	5.766	30	20	HKED	
C=CCC[C@H](NCC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1	480892739	ZFUCFUFJWQTIRT-FQEVSTJZSA-N	410.524	5.587	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccccc2C)c1CC	485366132	MKRSSSGUDAOBSC-UHFFFAOYSA-N	401.514	5.059	30	20	HKED	
N#CCCN(C(=O)c1ccnc(SCC(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2	486586964	NIJHPGNPSUWLGZ-UHFFFAOYSA-N	423.504	5.061	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)N[C@H](CCCC#N)c2ccccc2)cc1C	487313336	KQOOYSWKNWICPV-JOCHJYFZSA-N	418.566	5.133	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1Oc1ccncc1	487683356	CYYMLQJEXWTLRW-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
Cc1sc2nc(CN3CCCC3)nc(SCc3ccc(F)cc3C#N)c2c1C	488518559	XDDSIJJHJIBYJE-UHFFFAOYSA-N	412.559	5.207	30	20	HKED	
C=C(C)Cn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1	489402781	ZRHZJYLTTDIVBO-UHFFFAOYSA-N	406.555	5.189	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccs1	489412082	KGGALHQBIBHGAN-ZDUSSCGKSA-N	418.975	5.274	30	20	HKED	
CCn1c(NC(=O)c2ccccc2SCc2cccs2)nc2cc(C#N)ccc21	490771849	HPXWKMHRVNHWHL-UHFFFAOYSA-N	418.547	5.534	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCCCCC1	494646234	FQUIRKWARPHANO-UHFFFAOYSA-N	418.585	5.056	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	496246570	QPKMZVALYJADDE-YDPRHXJPSA-N	421.541	5.050	30	20	HKED	
Cc1sc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)c(C#N)c1C	498244878	MFNLXYFFOCXWNT-UHFFFAOYSA-N	420.263	5.046	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	499691175	DILRWSVDHXAOHL-DLBZAZTESA-N	404.297	5.043	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c(C)c2c1	502305828	QUSMTNSCBYEUIV-KRWDZBQOSA-N	415.493	5.181	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1	505807740	CZIXBAVXTAVRSZ-OAQYLSRUSA-N	410.945	5.067	30	20	HKED	
CCN(Cc1cn(Cc2ccccc2)nc1-c1cccnc1)[C@H](C)c1ccc(C#N)cc1	508602908	HDAZMKVBKTVNDA-OAQYLSRUSA-N	421.548	5.448	30	20	HKED	
N#CCCCOc1cccc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1	509355808	GFGQURMUBXTWNR-UHFFFAOYSA-N	409.917	5.543	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3cccc(F)c3Sc3ccccc3)CCO2)c1	512002907	UPWUBEBYYOOUMN-JOCHJYFZSA-N	418.493	5.062	30	20	HKED	
COc1ccc(C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)c2ccccc2)cc1OC	512661747	UBAHIPNKFHWNBP-GAJHUEQPSA-N	404.485	5.349	30	20	HKED	
Cc1cccn2cc(-c3ccc(NC(=O)CSCc4ccc(C#N)cc4)cc3)nc12	515487758	SEZVXNLSBRBHDJ-UHFFFAOYSA-N	412.518	5.053	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1	520456841	ZALSGSOZAZUEIJ-HNNXBMFYSA-N	401.944	5.011	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)oc2ccc(F)cc12	520538015	VVYJVXFUULBSSF-QFIPXVFZSA-N	414.436	5.454	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccccc3F)C3CC3)c2)c1	523708617	LEFUYHTWVGZHQF-UHFFFAOYSA-N	400.453	5.081	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1	523946141	VBZAXQVFTOLGNH-LJQANCHMSA-N	402.881	5.634	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1coc(-c2ccccc2)n1	525051217	SRUVFCXIZRXFSI-UHFFFAOYSA-N	411.486	5.294	30	20	HKED	
N#CCc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)c1	532435131	NISZLZMNOBOTAN-BMRADRMJSA-N	406.445	5.028	30	20	HKED	
CC(C)Cn1cc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C(F)F)n1	534889699	IDRSVAAANVADDD-UHFFFAOYSA-N	401.339	5.011	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1-c1ccc(Cl)cc1	535261879	PGAMCBFAYFWZAB-UHFFFAOYSA-N	422.941	6.040	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2cc(F)ccc2F)cc1	535620071	GAYHZANABFHDOV-UHFFFAOYSA-N	420.459	5.571	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ncccc1OCCCC#N	537688185	YHRHTMNTWPTJQY-UHFFFAOYSA-N	420.538	5.107	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1nc2ccccc2n1C	541095892	OHGAPEDMWOOMTJ-HNNXBMFYSA-N	424.382	5.046	30	20	HKED	
Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1NC(=O)Nc1ccccc1	542297008	LURHADVVTVIFMD-UHFFFAOYSA-N	424.504	5.316	30	20	HKED	
COc1ccc(C2(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCC2)cc1	542376442	RTPLQJWYUKOKBP-KRWDZBQOSA-N	409.555	5.333	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@H](c2cccnc2)c2ccc(F)cc2F)cc1	543424021	IFEBVLGNUIKAGL-AREMUKBSSA-N	411.455	5.778	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	548959366	NWEIKMBIRHYDFG-CQSZACIVSA-N	418.415	5.080	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	553120893	DDPRWNCXQRPITE-UHFFFAOYSA-N	414.509	5.346	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(C#N)cc2C(F)(F)F)ccc1OCC(C)C	569772763	JLJDCXDSBDILGF-HNNXBMFYSA-N	406.448	5.471	30	20	HKED	
CC[C@@H](NCc1ccc(Oc2c(OC)cccc2OC)nc1)c1ccc(C#N)cc1	571746048	QQIKPICBYQDTNN-HXUWFJFHSA-N	403.482	5.004	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)c2ccccc21	577437284	ZYSTVBHSRIBQPZ-OAQYLSRUSA-N	403.501	5.322	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)n2)cc1	589196618	OVRJQYCLHVVKPC-IRXDYDNUSA-N	413.424	5.443	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cc2ccccc12)c1ccc2ccccc2n1	592975901	XRNKYBRKEWUXCL-LJQANCHMSA-N	401.263	5.641	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(Cl)c(C#N)c1	603952319	PURLFTKOGJPZNN-UHFFFAOYSA-N	413.861	5.225	30	20	HKED	
CCN(C(=O)c1cc2c(F)cc(Br)cc2[nH]1)[C@@H](C)c1ccc(C#N)cc1	604343374	YURJNFOTJXFOAJ-LBPRGKRZSA-N	414.278	5.164	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CSc2ccccc21	605235090	SHNGUPAZDBCDNR-KRWDZBQOSA-N	421.335	5.133	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2c(s1)CCCC2	607289230	FBTOIVTYNKHRML-LSDHHAIUSA-N	422.472	5.243	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1	609435504	RQUKNHJILYBYEU-ZIAGYGMSSA-N	405.470	5.565	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccn1)C(C)C	609572973	HKTBTWQJMGRHJC-UHFFFAOYSA-N	400.482	5.497	30	20	HKED	
Cc1nc(SCC(=O)N(c2ccc(F)cc2Cl)C(C)C)c(C#N)c(C)c1C	609815578	WAPUUWXFFISYIE-UHFFFAOYSA-N	405.926	5.205	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	610095110	ISIBLDQHUXEUTI-FXAWDEMLSA-N	411.571	6.243	30	20	HKED	
CCOc1ccccc1-c1nnc(SCc2ccc(C#N)cc2Br)o1	611491632	MGKPVNJZKQSTNJ-UHFFFAOYSA-N	416.300	5.062	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc(-c2ccccc2)cs1	613392095	FOAIDWAPNKDABZ-JOCHJYFZSA-N	410.498	5.879	30	20	HKED	
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1	613848521	JJSMSZRKPHXBIN-SFHVURJKSA-N	415.493	5.386	30	20	HKED	
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	619773786	BFYKRHDOTHGKOD-MZNJEOGPSA-N	418.566	5.279	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2o1	642281507	MWSPPDYROJPLEK-HNNXBMFYSA-N	423.881	5.315	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1C(F)F	676147826	YITLEEOVTAQGFZ-UHFFFAOYSA-N	401.257	5.131	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(SC(F)F)cc1	731028159	HLVLWJUUSWJUKG-ZDUSSCGKSA-N	407.511	5.304	30	20	HKED	
N#C[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccc1Br	733267509	YDKSCSPQVRLTFQ-NRFANRHFSA-N	403.279	5.015	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2ccc(Cl)c(Cl)c2)c1	733805604	QZCCHNZHDSDDKT-KRWDZBQOSA-N	420.340	5.406	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2cccc(CSCc3ccccc3)c2)cc1	734934756	DOQZPTXSTUIETE-UHFFFAOYSA-N	417.534	5.344	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1cccc(C#N)c1	743229364	PXCYCSUWQDHHRG-HZPDHXFCSA-N	408.502	5.027	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccc(-c4cccnc4)cc3)c2)s1	745834961	QBFSLUZRZRZFBD-UHFFFAOYSA-N	424.529	5.348	30	20	HKED	
CC(C)(C)n1cc(C#N)c(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)n1	746441356	YLPXSKFDZPFYAM-PKNBQFBNSA-N	410.930	5.544	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1Cl	747639417	HXOGSIQSQUAKMV-INIZCTEOSA-N	416.695	5.950	30	20	HKED	
COCCCOc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	750989051	HIFYOYGGJMFULV-XMMPIXPASA-N	415.493	5.401	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1ccc(-c2ccc(C(=O)O)o2)cc1	753143781	YTEPEWUVLCZGNA-AATRIKPKSA-N	402.431	5.059	30	20	HKED	
CSc1cc(Br)ccc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1	755701642	VIRBEFGRPJCESJ-WEVVVXLNSA-N	418.312	5.024	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN(CCC#N)CC(C)C)cs1	756523108	DVCCPCMDSKWZDL-UHFFFAOYSA-N	424.492	5.218	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cncc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759217611	TUZDLMBONCDDDI-AIOIPUTFSA-N	418.280	5.541	30	20	HKED	
N#C[C@H](C(=O)/C=C/SCc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1	759832453	CINQSJUHSUNZGB-MNDMWVCDSA-N	400.912	5.680	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)Nc3ccc(F)cc3OCC#N)cc2)n1	760977567	JLUNMUJBHOSSFH-UHFFFAOYSA-N	413.499	5.038	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)cc1	765128117	ZNDVLYUXYSSRLR-SFHVURJKSA-N	424.928	5.192	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccc(Br)cc2C1	765180137	IZVCVEPYBFICOM-CYBMUJFWSA-N	416.344	5.391	30	20	HKED	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(CCCC#N)c2ccccc12	767693891	QTAGSIGASJEAFR-UHFFFAOYSA-N	402.542	5.062	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1	772647272	XBBPZJZLPSJRNX-HRAATJIYSA-N	410.945	5.381	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(F)cc2Br)ccc1OC	772985997	MMRFIOPZHSXZIS-CZUORRHYSA-N	421.310	5.129	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Oc3ccccc3)cn2)cc1	773231543	NPEVLRHXXKOVMP-JOCHJYFZSA-N	406.445	5.177	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1	775401752	RWSBRNIZTFYBFA-GAJHUEQPSA-N	405.542	5.311	30	20	HKED	
C[C@H](N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccc(OCC#N)cc1	776159243	ITMLXRQBYVNYSF-GAJHUEQPSA-N	421.338	5.792	30	20	HKED	
N#CCc1ccccc1CC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1	776894523	SXXADMQDGGGSLJ-UHFFFAOYSA-N	400.444	5.285	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	777409991	UYUVGKGQOITANC-LJQANCHMSA-N	410.949	5.033	30	20	HKED	
CCN(Cc1ccccc1NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)OC(C)(C)C	777527037	QDBVQCYKHQLIEE-UHFFFAOYSA-N	413.905	5.221	30	20	HKED	
CCOC(=O)N(C)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1	777955412	YWDYWQCNIXBYLC-UHFFFAOYSA-N	415.449	5.196	30	20	HKED	
Cc1ccc(C)c([C@@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2ccccc2)c1	779159440	KATKEOFZBCSJQV-MHZLTWQESA-N	411.549	5.338	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12	780669477	KGLVSNALPGSWBD-KWYUQPEGSA-N	423.516	5.396	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	780677488	WEHWAIIAWMJELR-QGPMSJSTSA-N	417.431	5.454	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782488197	RPDLBLMRSILXOU-OAHLLOKOSA-N	406.917	5.227	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1	789452578	STWFQUPZLSIVPX-FYYLOGMGSA-N	410.533	5.798	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@H](C#N)c1ccc2ccccc2n1	790766237	CRLSRYQZQRYBOU-LJQANCHMSA-N	415.493	5.391	30	20	HKED	
C[C@]12CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C[C@H]1C2(Cl)Cl	791209888	UTDLKIABTHAQGY-CTNGQTDRSA-N	415.320	5.201	30	20	HKED	
Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)o1	797184955	FXTZIQNDANVGCE-RMKNXTFCSA-N	400.261	6.043	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	798815717	CQUNLWDTEXYBNC-KUHUBIRLSA-N	410.395	5.310	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)c2ncccc12	802041983	KHDPCEVJXFMMMM-OAHLLOKOSA-N	418.667	5.156	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1	806267598	FTSVIZDWJJCIQW-UHFFFAOYSA-N	420.509	5.270	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)ccn1	811708080	RQUMXLVHRGZPGR-UHFFFAOYSA-N	405.870	5.080	30	20	HKED	
Cc1c(C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)sc2ccc(C#N)cc12	814323566	XKDBPRQTYWJEHJ-UHFFFAOYSA-N	411.914	5.125	30	20	HKED	
CO[C@@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	815911493	CWYCKACXTHTVDT-UXIGCNINSA-N	409.338	5.498	30	20	HKED	
COc1ccc(NCc2cc(C#N)ccc2Br)cc1OC1CCCC1	864004136	VFBHYFNCYUXQFG-UHFFFAOYSA-N	401.304	5.263	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc(OCC#N)cc1	916152253	TUYLBOMVAOWXHJ-ZHACJKMWSA-N	412.276	5.286	30	20	HKED	
CC(=NNc1c(F)c(F)nc(F)c1F)c1ccc2c(c1)Nc1ccccc1S2	916325554	TVICKOVMXPLDPA-UHFFFAOYSA-N	404.392	5.682	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1ccc2ccccc2n1	916848842	JETUQPZCEXIINY-LJQANCHMSA-N	420.559	5.359	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)o1	916904029	VIAIGAKWYOGEDR-IBGZPJMESA-N	404.441	5.172	30	20	HKED	
CCCC(=O)Nc1cccc(N[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1C	920424657	GMTROXSESKDCHR-GJQHCVRFSA-N	419.569	5.415	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCCC)cc4)CCC3)cc2)C1	1785808183	XQQJEMGLILXCHJ-UHFFFAOYSA-N	418.537	5.189	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC)nc3)cc2)CCC1	1787254803	JSUCSCYIGBOWCH-UHFFFAOYSA-N	417.553	5.160	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCc3cccs3)CCC2)cc1	1791298934	GINRGYPZSAALNL-UHFFFAOYSA-N	418.509	5.026	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1)C(F)(F)F	1791305531	PPSGJVSVFAFQBK-IXDOHACOSA-N	420.475	5.065	30	20	HKED	
C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12	1801203474	LTLIPDXIKVHILK-OKYOBFRVSA-N	416.521	5.050	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CC=C)C(=C)C)[nH]n1	1814442934	BDRHRPKCTMMFMS-AZUAARDMSA-N	412.578	5.163	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1	1831376966	XWPPLDIUSPJAMC-AVRDEDQJSA-N	416.993	5.094	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2c(C)cccc2C)cc1	22693814	NXJQWKPRAJCCOC-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)c2cccnc12	31655961	HCPRRDZZJUVARL-UHFFFAOYSA-N	406.942	5.549	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1C#N	31907143	RUHQOOFSEXXRJX-UHFFFAOYSA-N	421.547	5.401	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(OCc2ccccn2)c1	47185292	HGGXHTMWRCCARV-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
C=C(C)COc1cc(CN[C@H]2CCCc3cc(OC(F)F)ccc32)ccc1OC	60950285	WYVXMKVVPBUKAS-FQEVSTJZSA-N	403.469	5.419	30	20	HKED	
Cc1ccc(COc2ccc(/C=C/C(=O)c3cccc(N4CCOC4=O)c3)cc2)cc1	63556724	DSTGLQZNVGXKAD-SDNWHVSQSA-N	413.473	5.427	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cccc(C(F)(F)F)c1	72098938	AKUVBJICNMHPJX-UHFFFAOYSA-N	423.435	5.493	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](C(F)(F)F)C1	102193300	MUWMTTCKIJXEDC-DLRQAJBASA-N	419.287	5.538	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1	108370027	KUAQPFBAXQQSHQ-YADHBBJMSA-N	416.908	5.727	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CSc2ccccn2)c1	110107679	CJGRRMXOJREADL-HSZRJFAPSA-N	417.534	5.288	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(C(F)(F)F)c1	303132172	CDJHNRFMWVAYTP-UHFFFAOYSA-N	410.395	5.717	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21	431216139	LXBMVRTZZFRLHU-JTSKRJEESA-N	405.567	6.155	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	432088632	KGWBPUATIZSGHK-RPVQJOFSSA-N	417.481	5.217	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433171314	DILYZYTZFZWTAZ-VWLOTQADSA-N	413.521	6.131	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cc(F)ccc1Br	433777093	ZSCLYDIJOPSICV-LBPRGKRZSA-N	407.308	5.164	30	20	HKED	
CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nc2cccc(Cl)c2s1	436404153	DATVXWMHRXVIOP-UHFFFAOYSA-N	421.913	5.003	30	20	HKED	
CC(C)(CO)[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccs1	436503099	JGCQUUHDXDOKPL-NRFANRHFSA-N	421.522	5.293	30	20	HKED	
N#Cc1csc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c1	437570647	SPFYUKMUBJFTMR-UHFFFAOYSA-N	407.545	5.699	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1	437894988	JODGZDXHIZATBD-WIOPSUGQSA-N	411.505	5.084	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438661320	RBKPHBFZWMNERU-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
Cn1cnc2cc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)ccc21	440531684	CLMFKEPEMSNSST-UHFFFAOYSA-N	402.841	5.143	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]1c1cccnc1)c1ccc(C(F)(F)F)cc1	441538997	XOSZUJAFSWVHTO-PMACEKPBSA-N	403.448	5.654	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1C#N	443900661	NWOAENXMSCUVJU-OAHLLOKOSA-N	422.460	5.037	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N(C)[C@H](C)CC#N	444393193	RKTLUIMYEAZEGB-MRXNPFEDSA-N	407.493	5.498	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccco1)C(=O)c1cc(-c2cccc(C#N)c2)no1	448154957	MJIWUFPCDZZCNA-UHFFFAOYSA-N	401.397	5.101	30	20	HKED	
C=CCN(C(=O)c1cc(Cl)c2ccccc2n1)c1nc(-c2ccccc2)cs1	448550190	RLTQKVMLXBUXHF-UHFFFAOYSA-N	405.910	5.845	30	20	HKED	
N#Cc1ccc(CSCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc1	461190575	WOISCSKVJOKVFK-UHFFFAOYSA-N	418.484	5.048	30	20	HKED	
C[C@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)c1cccc(C#N)c1	461928618	NDEZKQYNYLEEGO-SFHVURJKSA-N	418.516	5.062	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1cccc(C#N)c1	462250667	ZNELNDXGVJJEOA-KBMIEXCESA-N	423.516	5.278	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c2C)c1	462256595	HDBYNWVQTFPCNZ-QGZVFWFLSA-N	400.478	5.197	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12	466170290	SBESSUKFHHGQCB-UHFFFAOYSA-N	408.933	5.103	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1	466597257	NRICDEXHEXZVKE-UHFFFAOYSA-N	419.312	5.267	30	20	HKED	
O=C(c1cccc(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469753281	QLPKOAKLWAEWAG-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1	470717952	NUYFFIQOPMPLLZ-OAQYLSRUSA-N	408.486	5.156	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1CCN(c2ccccc2)CC1	472386354	KQDKVDRAESXLPO-UHFFFAOYSA-N	403.979	5.016	30	20	HKED	
COc1ccc([C@H](C)[C@H](C)NC2CCC(Oc3ccccc3C#N)CC2)cc1OC	474813632	AAWPENNCPNDWSJ-ADCVTAOUSA-N	408.542	5.047	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1	475271681	XXJUMYDCQMHWAK-KRWDZBQOSA-N	417.509	5.009	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1	475552813	SGPZZFWAUMQEOT-GMAHTHKFSA-N	410.533	6.062	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	480789374	HGILDIBRVFJNPI-UHFFFAOYSA-N	404.376	5.417	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482376413	GEMYMMCZEBLPGV-HNNXBMFYSA-N	419.325	5.027	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCCCC2)no1	483880669	AHBIDRGVPLFXDR-UHFFFAOYSA-N	417.469	5.023	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1nc2c(cc1C#N)CCCC2	484163859	MHUZLAPIZODFKC-UHFFFAOYSA-N	408.914	5.170	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)cc(F)c3)s2)c(C(F)(F)F)c1	487394394	ZHFSUEQYDWBBPO-UHFFFAOYSA-N	423.366	5.155	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	492176312	ACWVOGBCBFSFBW-UHFFFAOYSA-N	403.482	5.103	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1	498721369	KUCJRISMQGKQQK-HKUYNNGSSA-N	418.006	5.010	30	20	HKED	
N#C[C@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc2cc(Cl)ccc2s1	499570529	AIYIKJNDIYQMLX-OAHLLOKOSA-N	423.950	5.681	30	20	HKED	
Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1cc(C#N)ccc1OC(F)F	502445538	XOGNEHFNVLBCRD-UHFFFAOYSA-N	422.435	5.097	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)c(C#N)s1	503610652	PTUPDOSPYDVHMV-UHFFFAOYSA-N	403.479	5.571	30	20	HKED	
CC1(C#N)CCN(C(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)CC1	509413943	DWVLJJGLZRVIFZ-LJQANCHMSA-N	403.309	5.266	30	20	HKED	
C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CCCN(C2CCC2)C1	511302908	BEKKAIGGEMJJJD-GHTZIAJQSA-N	419.594	5.092	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1	513656486	TZLQUODXQKCPNY-KRWDZBQOSA-N	402.567	5.310	30	20	HKED	
CC[C@H]1C[C@@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1	513749899	XXFNELRNALAVMZ-JXFKEZNVSA-N	412.917	5.324	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccsc1	518255425	CUNQZQRSPMBWKB-QFBILLFUSA-N	416.616	5.347	30	20	HKED	
CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1F	518502293	IUTBBORSCWWCPF-OAHLLOKOSA-N	413.861	5.051	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	518940927	BDNBFVWQGBVPCC-VQTJNVASSA-N	421.610	5.363	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C	519513046	CDIHTIKALCBPGB-SFHVURJKSA-N	416.550	5.449	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCc3nc4ccccc4s3)cc2)cc1	519988255	KVWZXWNHILCFSU-UHFFFAOYSA-N	414.490	5.324	30	20	HKED	
CN(C)[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	521475022	MYIOJCFMAAOSCT-GMAHTHKFSA-N	403.913	5.237	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)CCc3cc(Br)cs3)c2C#N)C1	521677558	MTDFJTPGQWGQOF-JTQLQIEISA-N	409.374	5.140	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	521811015	OLBGARWPSTUCFZ-OAHLLOKOSA-N	422.579	5.835	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	521885252	NRJYGOZOOKHHKN-CYBMUJFWSA-N	408.335	5.482	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)c1C#N	524331265	AXDLYYNEAHPJAX-UHFFFAOYSA-N	420.494	5.464	30	20	HKED	
CC(C)CN(C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1ccc(C#N)cc1	525039487	GZPOZBFLHHFDCL-UHFFFAOYSA-N	405.542	5.165	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccc(OC)cc1	525434411	YCUCASLNBLABTF-INIZCTEOSA-N	418.522	5.648	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)o1	533289237	AVBDKAJUOUXBCL-XLIONFOSSA-N	411.571	5.396	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1C(F)F	533957072	WYTHNUGDNBNOQR-NSHDSACASA-N	408.861	5.230	30	20	HKED	
CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1	535674470	FOYXCXAJBQXGFU-RDTXWAMCSA-N	422.920	5.120	30	20	HKED	
COc1ccc(CNC(C)(C)c2ccccc2Br)cc1OCCCC#N	536006719	FWTJXONVWOUQPS-UHFFFAOYSA-N	417.347	5.165	30	20	HKED	
CC[C@@H](CSC)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	536913336	BPRSVKFJEUWWIW-HKUYNNGSSA-N	401.963	5.601	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1	537155197	ZOCRERSSGVFLQO-HSZRJFAPSA-N	405.567	5.933	30	20	HKED	
C[C@@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542039359	DUKIZKBGYYQBBC-MRXNPFEDSA-N	413.502	5.362	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(-c2cccc(C#N)c2)cc1	543114743	PZWLIJNZEDLQME-OAQYLSRUSA-N	419.528	6.050	30	20	HKED	
CO[C@@H](c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1)c1ccccc1Cl	546518291	WDHLTUBRTBJXMK-VDZCTEQFSA-N	418.884	5.498	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(Cc2ccccn2)ccc1C	555052628	GCQHPBZITJPPNB-UHFFFAOYSA-N	411.958	5.916	30	20	HKED	
N#CCCN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(F)cc1	555967625	RBJVUDRNTMDLDH-UHFFFAOYSA-N	402.347	5.665	30	20	HKED	
Cc1c(NC(=O)c2cccc(COc3ccccc3C#N)c2)cccc1-c1ncco1	557369831	PLVZEDWVUFZGKZ-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1csc(Oc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2F)n1	560428849	GBWUHHCQTBIRLX-UHFFFAOYSA-N	413.499	5.127	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(C(C)(C)C)cs1	562109686	WJDZGFGGVLWMGJ-AWEZNQCLSA-N	421.526	5.382	30	20	HKED	
CC1(C(=O)N2CCC[C@@H](c3ccccc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1	564435322	HYZIREYMSYGMBR-HXUWFJFHSA-N	421.972	5.224	30	20	HKED	
C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	566787536	DCKAFBGKPSPIJB-ZDUSSCGKSA-N	402.325	5.946	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1C	574551053	FTIBPMCCEBCRNL-UHFFFAOYSA-N	413.521	5.890	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1ccccc1OC	575165812	ZVKUGQPPAPAWPM-OAQYLSRUSA-N	411.509	5.029	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)NCC(C)(C)CCC#N	588249437	JGHCYBNMQZUPRY-UHFFFAOYSA-N	407.493	5.139	30	20	HKED	
C=CCc1cc(/C=C(\CC(=O)O)c2nc3cc(Cl)ccc3s2)cc(OC)c1O	592981787	CITVUGPZEQZZAA-RIYZIHGNSA-N	415.898	5.408	30	20	HKED	
Cc1nc(SCC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c(C#N)c(C)c1C	603578152	HWRICDRYAMIDKA-OAHLLOKOSA-N	421.488	5.209	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1Cl	603766225	NLCASOAQWWPZDD-NRFANRHFSA-N	404.872	5.805	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(COc2ccccc2C#N)o1	603945742	STKWZYPZHDQJTD-UHFFFAOYSA-N	408.885	5.761	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC2CCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	608552846	GIJJTBRVBPJVNZ-MRXNPFEDSA-N	416.424	5.736	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cnn1-c1ccccn1	609427166	ROHIWEKMWGPSPY-UHFFFAOYSA-N	423.476	5.307	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NCCc3c(Cl)cccc3Cl)cc2)nc1	609501964	KPNPLXOQTSWQDO-UHFFFAOYSA-N	412.276	5.025	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1	609700181	JKDIBCRYCRCKKT-NRFANRHFSA-N	414.958	5.077	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)c1cccc(Cl)c1Cl	609911526	HWYGABIBPGERJV-OAHLLOKOSA-N	404.278	5.237	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	609989587	MSPFTEYKHXGCBY-YVEFUNNKSA-N	414.349	5.284	30	20	HKED	
COc1ccc([C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)cc1	610355965	GCNLEUHMCLQEFO-QMHKHESXSA-N	419.912	5.370	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	611142477	WACVWYZDHXCAOA-OXQOHEQNSA-N	403.309	5.071	30	20	HKED	
N#CCCn1cc(C(=O)COc2cc(C(F)(F)F)ccc2Cl)c2ccccc21	612732326	MTGFCQWESOAHCX-UHFFFAOYSA-N	406.791	5.489	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cn2)c1	613650649	HWZLUYFAKKZGOR-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
COc1ccc2occ(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1	669600325	FLSQOQJSLPXHJS-CYBMUJFWSA-N	416.380	5.560	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)s1	671653465	JQVFGUVGRVKOBE-RNFRBKRXSA-N	413.305	5.406	30	20	HKED	
N#C[C@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc2cc(C(F)(F)F)ccc2s1	677559490	MEWYMEVUMFQIPT-CQSZACIVSA-N	415.371	5.492	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	679237135	GBJZDXKNZSXBCF-MFKMUULPSA-N	406.433	5.281	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl	726482843	LJPXNFHNKUHNOG-ZDUSSCGKSA-N	424.353	5.525	30	20	HKED	
N#CCCCOc1cccc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)c1	727780348	LWZKCTAGEZBKDX-ZSOIEALJSA-N	400.247	5.093	30	20	HKED	
Cc1cccc(C)c1Oc1ccccc1NC(=O)NCc1ccc(OCC#N)cc1	727933524	DRRABHNMLDBGAH-UHFFFAOYSA-N	401.466	5.320	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cnc(-c4ccccc4)nc3)s2)cc1	727973920	BYYILAAAWUKBAR-JYRVWZFOSA-N	413.502	5.480	30	20	HKED	
Cc1nn(C)c2ncc(/C=C3\CCc4nc(-c5ccc(Cl)cc5)sc4C3=O)cc12	728439226	YGNVBMQTHODZJK-OQLLNIDSSA-N	420.925	5.266	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1	730398592	KZFFHCZUHOZUQC-JPYJTQIMSA-N	416.864	5.786	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1	733936568	YTMADJDUGKNJOA-GOSISDBHSA-N	421.884	5.138	30	20	HKED	
C=CCCCN(C)C(=O)c1ccccc1SCC(=O)NC1CCCCCCC1	736526388	OUBCVZOAFBUDAA-UHFFFAOYSA-N	402.604	5.046	30	20	HKED	
COc1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc1	741457565	WKVNKVAGSUEQCV-UHFFFAOYSA-N	400.507	5.100	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	742733560	CMQLMGZRRIEKIN-RQOWECAXSA-N	416.296	5.065	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C\c2ccc(C#N)o2)SC1=S	743282476	NIUNAPCHZHCTCU-NEFPKRPYSA-N	409.319	5.420	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Oc3ccccc3)ccn2)cc1	745948260	YFLMOSLKEADVCI-VGSWGCGISA-N	413.477	5.349	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)s1	749017671	ZJUXALTXTIBRQL-AUWJEWJLSA-N	410.467	5.040	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)s1	750690248	ORPSTFIVFNRMQC-PSASIEDQSA-N	414.861	6.010	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)CSc1ccc(F)cc1	756233303	JBBYAFLQOTWKQQ-QRWLVFNGSA-N	412.530	5.026	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccccc2CCC(F)(F)F)cc1	757197268	IXXWYNGGDJGVEG-OAQYLSRUSA-N	423.438	6.481	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2OCC#N)cc1C	760793090	WCWHGDVHBOTHRZ-UHFFFAOYSA-N	407.470	5.143	30	20	HKED	
O=C(CSCC(F)(F)F)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	761755168	IKXJGUMYVXWOBH-SNVBAGLBSA-N	400.262	5.148	30	20	HKED	
Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cnc(C2CCCC2)s1	767761756	RSCPIWNCNJRLJX-UHFFFAOYSA-N	419.579	5.307	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(C4SCCS4)c3)CC2)cc1	767832714	BOYNGMDRMWJSGW-UHFFFAOYSA-N	407.564	5.358	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	768401648	GBVXDSKAVULHBO-WXAJSYMVSA-N	411.590	5.016	30	20	HKED	
CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cn(CCCC#N)c2ccccc12	769545662	YBIAHRLRHBKFGZ-UHFFFAOYSA-N	417.509	5.038	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccnc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	771265203	KZSJRPHEBGJXJC-ZYOFXKKJSA-N	401.825	5.026	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)[C@H]3C[C@H](C4CCCCC4)CN3C2=O)cc1	771907793	UOZDBWAHIRQRAL-QPTUXGOLSA-N	413.521	5.079	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)csc1Br	772162300	RFGRGTRHGOOOMO-KRWDZBQOSA-N	411.324	5.727	30	20	HKED	
C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1cccc(OCC#N)c1	772417387	LEUBVKYQDRESLP-DFBJGRDBSA-N	411.505	5.200	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCCC(=O)c2ccc(Br)cc2)n1	774124765	XNQPWYDTPUQOBS-OAHLLOKOSA-N	419.344	5.258	30	20	HKED	
N#CCc1ccc(COC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1	776108081	RFPTUAZQCQWTFW-UHFFFAOYSA-N	416.424	5.181	30	20	HKED	
C[C@@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccc(OCC#N)cc1	776847824	ORRWHEZPRPIDBL-QGZVFWFLSA-N	402.450	5.070	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	778535673	ROEVPOAVLOQSLH-SECBINFHSA-N	422.655	5.486	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	780678022	JWCNXBKKZVRSMX-HNAYVOBHSA-N	417.431	5.755	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)C[C@H](O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1	782755288	QWRSZVHKUKHSJM-JLHGSKIFSA-N	419.550	5.159	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	788311967	SFZUNLLQJNHKFA-UHFFFAOYSA-N	420.557	5.239	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cc(Cl)c(Cl)c(Cl)c1	791973265	YWNGHYDYJSWZPZ-UHFFFAOYSA-N	414.720	5.050	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nccc2ccccc12)c1ccccc1	792093859	AZDQPCCULPVHPG-RTWAWAEBSA-N	415.493	5.067	30	20	HKED	
COc1cc(C)ccc1C(=O)/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1	797292572	QBBOJYJVXOIAAS-QBFSEMIESA-N	405.881	5.805	30	20	HKED	
COc1ccc(C2(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)CCCC2)cc1OC	797569205	OIVJYEJWKMOULM-MRXNPFEDSA-N	412.555	5.146	30	20	HKED	
COc1ccccc1CON=Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	799116877	CBEAEHGMFZJCOF-UHFFFAOYSA-N	415.902	5.040	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1c(Br)sc(C)c1C	799601248	WSNACXVTSFVQFK-ZDUSSCGKSA-N	415.312	5.123	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SC)c(F)c2)cc(OC)c1OCC(F)F	809154294	QZJZQFWJFCBINX-XQRVVYSFSA-N	412.429	5.105	30	20	HKED	
Cc1oc2c(C)c(OC(=O)CCCC#N)ccc2c(=O)c1Oc1ccccc1Cl	812897893	QPXJPIOFYACWFX-UHFFFAOYSA-N	411.841	5.455	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccc(CN(C)C)cc2)no1	904623804	PNWNNTCMUPLOSS-UHFFFAOYSA-N	403.404	5.049	30	20	HKED	
C=CCc1ccc(OC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1	915138526	ZTVVRIJHDDCECI-UHFFFAOYSA-N	412.873	5.055	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccccc1	916627215	GTIYMAIQVRIIAP-RMWKRFJVSA-N	410.498	5.722	30	20	HKED	
COc1ccccc1[C@@H](C/N=C/c1c(O)ccc2ccccc12)NC(=O)OC(C)(C)C	917559129	HFVCDHMHYRLHBC-YNYZQSIGSA-N	420.509	5.239	30	20	HKED	
COc1ccc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)cc1OCc1ccccc1	920065957	OVIHIWSOMMCIQK-LDADJPATSA-N	418.445	5.086	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C	920140398	FXWMSAFMDLYNJP-FQEVSTJZSA-N	413.502	5.138	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc4ccccc4c3)n2)cc1	920141519	PUBALHGBWBFDLO-OAQYLSRUSA-N	409.470	5.090	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1	920142577	LJUMEWNHRLQGIU-CJNGLKHVSA-N	412.898	5.116	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CCC2)cc1	1792263886	GMTLMLFEYMJEHA-AJSBUHFISA-N	406.570	5.140	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC)cc2)n[nH]1	1820606369	INKIDJHXNCOFDI-IRLDBZIGSA-N	420.557	5.046	30	20	HKED	
Cc1nc(-c2ccccc2)c(/C(O)=N/c2nc(CN3CCCCCC3)cs2)s1	29639330	SYDFTUHNCVWFKL-UHFFFAOYSA-N	412.584	5.587	30	20	HKED	
CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C#N)c(Cl)c1	58415322	NACHAZYJSITIFR-UHFFFAOYSA-N	410.674	5.167	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	60477444	BKJIMPUVUUQUFO-LJQANCHMSA-N	420.534	5.796	30	20	HKED	
C=CCc1cc(CNC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc(OC)c1OC	65388845	MDOQZYYTMRWQFU-HRAATJIYSA-N	424.541	5.023	30	20	HKED	
COc1ccc(CN[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1OCCCC#N	147115015	HMTHQKLDDOBZEU-CYBMUJFWSA-N	411.304	5.674	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1	303292613	BCKIVGOSDCQTDY-JOCHJYFZSA-N	421.541	5.259	30	20	HKED	
Cc1ccc(S(=O)(=O)c2ccc(CN[C@@H](CCCC#N)c3ccccc3)cc2)cc1	433034683	ZPBVPKOCTORWQN-VWLOTQADSA-N	418.562	5.353	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C	438447855	WDCGMUUKJMNIJE-WIOPSUGQSA-N	422.569	5.263	30	20	HKED	
CC(=O)c1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	444444073	YPBKGVDSOXIBNC-MRXNPFEDSA-N	421.312	5.471	30	20	HKED	
COc1ccc(C#N)cc1CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444740702	GLUMKWSHPKGTJP-MRXNPFEDSA-N	402.338	5.369	30	20	HKED	
O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N(CCC(F)(F)F)CC1CC1	446348914	AVWJOAFEPLFAGJ-ZDUSSCGKSA-N	420.756	5.457	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1	463240716	VLIRNTSQPUOOME-NWANDNLSSA-N	404.377	5.614	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1cc(C(F)(F)F)ccn1	464408262	RCYASLNEJVCUQS-CYBMUJFWSA-N	411.305	5.107	30	20	HKED	
CC[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1nc(C(F)(F)F)cs1	466692604	CLBIRAURCLITOA-PMPSAXMXSA-N	422.476	5.094	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	467149414	FMHAAFVGDSFXLR-MRXNPFEDSA-N	417.513	5.493	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCc3sccc32)cc1	467171181	SCRYXBLBGIFRAU-QFIPXVFZSA-N	417.534	5.592	30	20	HKED	
C[C@@H](SCc1cc(F)ccc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	469026313	OGAKUCKDSCVUAE-LLVKDONJSA-N	411.483	5.662	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC(F)(F)F)cc1	469352853	VWTKSIGWUPDDJZ-HNNXBMFYSA-N	417.431	5.341	30	20	HKED	
CC[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC[C@@H]1c1ccccc1	470010959	DRDMQDORDLNNOZ-LPHOPBHVSA-N	405.567	5.208	30	20	HKED	
Cc1cc(NC(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)nn1CCC#N	470409263	QHAKRTFDPWRUAS-NRFANRHFSA-N	419.916	5.090	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	471204594	ZDWCWNQYBWNXQD-FSPWUOQZSA-N	421.850	5.800	30	20	HKED	
COC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C)o1	471485176	NUBZMQCKCQWPDL-LJQANCHMSA-N	410.857	5.023	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)n1	474448630	SYZJTSJTAYBILN-INIZCTEOSA-N	408.527	5.395	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(F)c(F)c1	481086020	WHACAXPHCMSPLS-LJQANCHMSA-N	410.424	5.331	30	20	HKED	
C=C(C)[C@@H](NCc1csc(-c2ccc(OC)cc2OC)n1)c1ccc(F)c(F)c1	481579895	QPXMKGFIVLGLLW-OAQYLSRUSA-N	416.493	5.513	30	20	HKED	
COc1ccc(CN(CC(C)C)[C@@H]2CCCc3cccnc32)cc1OCCCC#N	482299621	VAXITPPAMIOFCX-JOCHJYFZSA-N	407.558	5.308	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	485243276	JHSOSKDUJZEAEU-LJQANCHMSA-N	407.411	5.169	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	499430871	LCRQVMMVDHZINI-KEYYUXOJSA-N	424.125	5.240	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[C@@H](C)c2ccccc2)cc1C	499609029	LXEWYRCTZZEJKI-LJQANCHMSA-N	400.526	5.004	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)c1C	499730948	JMTOZTUFIKACCV-WZONZLPQSA-N	422.573	5.455	30	20	HKED	
C[C@H](CCc1ccco1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510023284	LVLMMIKCEKZATP-IERDGZPVSA-N	407.901	5.731	30	20	HKED	
Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	511621056	XANHMYIMMJOPMS-SFHVURJKSA-N	403.404	5.177	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1	511722200	VGLIUCHIKQRPRF-QFIPXVFZSA-N	422.488	5.096	30	20	HKED	
CC(C)OCc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1	512119539	CPWGXEOWDLEGGH-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1	512951753	VRIKDXCPGINIKT-UHFFFAOYSA-N	415.971	5.378	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	515716206	FRKKZECDXCECDD-FUHWJXTLSA-N	416.456	5.295	30	20	HKED	
CCOc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	516497887	LIBKZWLZESJXSU-UHFFFAOYSA-N	402.519	5.179	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	517303016	KRNMFRVGSFDGLS-JOCHJYFZSA-N	408.473	5.328	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1	517707362	NEXHEXCIGOGDIY-UHFFFAOYSA-N	403.404	5.089	30	20	HKED	
CN(CCOc1ccccc1F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	517901113	KEPCVKZDZSTEPC-UHFFFAOYSA-N	405.429	5.032	30	20	HKED	
CC[C@@H]1CCCC[C@@H]1c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1	518408509	QHFKVNFTBDPXMF-WBVHZDCISA-N	421.501	5.257	30	20	HKED	
C[C@H]1CCc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2C1	518515488	QJZWLNNHGGDOFX-SUMWQHHRSA-N	403.532	5.358	30	20	HKED	
CCN(CC)CC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	521185869	SUZUSDZVLWHQII-UHFFFAOYSA-N	421.610	5.045	30	20	HKED	
COc1ccc(CCCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	521931941	DPYWVOPLOXVFJY-UHFFFAOYSA-N	416.496	5.571	30	20	HKED	
Cc1cc(NC(=O)c2sccc2C#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1	523384465	QALTYBFOUKMEMG-UHFFFAOYSA-N	410.808	5.038	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)o1	523458070	PPZPJESSMPPRFD-QGZVFWFLSA-N	421.419	5.550	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3OC(F)(F)F)c2)cc1	523708348	YSRVXZNKBUNVJV-UHFFFAOYSA-N	412.367	5.288	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	524596498	GWLMIJWVUZEKPL-HXUWFJFHSA-N	420.538	5.656	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)cc2F)c1	525032317	ZFAZWEOUKSHWKJ-RBUKOAKNSA-N	422.406	5.297	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)s1	525051075	MVFCUOHUBJPLDM-MRXNPFEDSA-N	405.523	5.511	30	20	HKED	
COCCCOc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	525140763	VNYRMQSTRIZGKI-UHFFFAOYSA-N	416.477	5.327	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1	530500181	KAZZGXIOUUQHMU-SFHVURJKSA-N	400.563	5.514	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	536239768	QALCPSRRAACVHB-GCJKJVERSA-N	407.583	6.573	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)NCc3ccc(-c4ccccc4C#N)cc3)cs2)o1	536884024	BKWNNRTUYWSSBO-UHFFFAOYSA-N	413.502	5.109	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NCCCC1(C#N)CCOCC1	537507638	ABDQZJNUCAJPSI-UHFFFAOYSA-N	401.732	5.014	30	20	HKED	
N#CC1(c2ccc(C(=O)N(CCc3ccccc3)c3nc4ccccc4s3)cc2)CC1	538492840	QYUPWALDVNEKHP-UHFFFAOYSA-N	423.541	5.741	30	20	HKED	
N#CC1(c2ccc(C(=O)NC3(c4noc(C5CCCC5)n4)CCCCCC3)cc2)CC1	538544758	RHGUQPKVLXNUOR-UHFFFAOYSA-N	418.541	5.262	30	20	HKED	
Cc1ccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2-c2ccccc2)cc1	539709276	NSWHOBWSDJMPHU-UHFFFAOYSA-N	418.566	5.435	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	540252099	KJIQJJHVZGZMIP-PKTZIBPZSA-N	420.871	5.278	30	20	HKED	
Cc1sc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	543504476	DHRZZRJBQBBGMV-UONOGXRCSA-N	424.957	5.321	30	20	HKED	
Cc1ccccc1C1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	543557137	PITROLNOBUTWKS-SFHVURJKSA-N	407.583	5.065	30	20	HKED	
COc1ccc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)cc1OCCCC#N	543783431	USDTVWMQUVWGTN-JOCHJYFZSA-N	404.913	5.657	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1nc2c(s1)CCCC2	544276795	CDYAZLZSVGLOFI-GOSISDBHSA-N	424.614	5.048	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)c1ccncn1	545446459	KIMLIXUHWOTLNB-MRXNPFEDSA-N	417.387	5.276	30	20	HKED	
C[C@H](c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1)c1c(F)cccc1F	545717550	DKBQGKWYPVDGDT-ZDUSSCGKSA-N	404.376	5.226	30	20	HKED	
FC(F)(F)Oc1ccc([C@H](NCc2ccc(C(F)(F)F)cn2)C(F)(F)F)cc1	556501625	XHDMSSFKTSZXCA-ZDUSSCGKSA-N	418.259	5.392	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1C(=O)c1cccs1	556674858	PQYIRSRKZYVHMJ-UHFFFAOYSA-N	401.940	5.522	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1	557589564	LFLBWYFOAMTVBP-UHFFFAOYSA-N	417.914	5.388	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C3CCC(OC[C@H]4CCCO4)CC3)cc2)c1	559677699	XYZJCPXSDPYFAA-NFDBJIOVSA-N	420.509	5.043	30	20	HKED	
C[C@@H](NC(=O)Nc1cccnc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	573012884	TWIWADOWZFKQQL-CQSZACIVSA-N	410.399	5.522	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1	578778800	PSFMYBCWQPPDGE-UHFFFAOYSA-N	406.873	5.012	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2ccncc2)cc1	581101539	LQRNWGPPICQPPX-QGZVFWFLSA-N	402.523	5.465	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	588875733	YHDXGPGOGCMRND-UHFFFAOYSA-N	421.394	5.509	30	20	HKED	
CC(C)CN(C(=O)CCCCCC#N)c1nc(-c2ccccc2[N+](=O)[O-])cs1	588955097	WCVKGJRISQGNCR-UHFFFAOYSA-N	400.504	5.181	30	20	HKED	
C=CCOc1ccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	589639052	PGFSUOUHVOBXMH-CHWSQXEVSA-N	415.805	5.904	30	20	HKED	
N#CCCC[C@H](NC(=O)NCCCc1cccc(Br)c1)c1ccccc1	590067527	PKTKJCPXVQSQPA-FQEVSTJZSA-N	414.347	5.116	30	20	HKED	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c12	603529948	ZVFNTXBFCYMXRI-UHFFFAOYSA-N	423.520	5.118	30	20	HKED	
N#Cc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	603647305	IIRSDMJDZCJUDH-NXEZZACHSA-N	413.749	5.243	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(C(C)(C)C#N)cc1	603872791	NLCZRAACUSUNPV-UHFFFAOYSA-N	421.497	5.501	30	20	HKED	
CCCN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1cc(Cl)ccc1C#N	609285548	ATDOVAYUKAUKDK-UHFFFAOYSA-N	411.864	5.382	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1Cc1ccccc1	609376626	GRBMUYOPAJPZMI-LJQANCHMSA-N	416.546	5.547	30	20	HKED	
CC(C)c1nc2cc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)ccc2o1	609557464	VBOSTLLFYPHXLP-UHFFFAOYSA-N	418.497	5.335	30	20	HKED	
Cc1ccc(-c2csc3ncnc(SCC(=O)N(CC#N)C4CCCC4)c23)cc1	609976837	PNDZKIPDMKNCAS-UHFFFAOYSA-N	422.579	5.054	30	20	HKED	
COC(=O)C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(C(C)(C)C)cc1	610014634	IDTWBBRCLXRVGN-OAQYLSRUSA-N	421.541	5.211	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1	610335061	NTROOFWDECJKJT-HNNXBMFYSA-N	407.449	5.150	30	20	HKED	
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccccn2)cc1	612941619	DBHJQRBUMJESRR-JOCHJYFZSA-N	406.489	5.548	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	613346426	IYUZPUBGVXQPQS-OAHLLOKOSA-N	403.290	5.616	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC	616847127	LYSOCPXEZBJATD-UHFFFAOYSA-N	417.534	5.029	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@](C)(C#N)C1	619537566	BEHSIARQAWMJDY-HXUWFJFHSA-N	406.313	5.538	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1Cl	619789198	ZPDWBRQMZDOZAF-UHFFFAOYSA-N	413.264	5.374	30	20	HKED	
N#C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(Cl)cc1	619863800	FLVBCUSZHHNDSH-LBPRGKRZSA-N	403.216	5.412	30	20	HKED	
N#C[C@H](C(=O)c1cnc2c(F)cccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	644786846	SXCIKXJMZJAKLH-CYBMUJFWSA-N	415.371	5.492	30	20	HKED	
CCC(CC)n1nccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	676242041	MUTZBNCXBKKJMX-ZDUSSCGKSA-N	406.433	5.363	30	20	HKED	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	682199035	ZKWKRAIHVBPQFZ-DTORHVGOSA-N	411.239	5.047	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1	728871505	UVBGMVSGIOPVEH-BENRWUELSA-N	407.926	5.419	30	20	HKED	
C=CCN(Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O)C(C)C	729462506	GXIZZARWBVFADW-UHFFFAOYSA-N	402.325	5.224	30	20	HKED	
CN(C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(C#N)cc1F	729654052	NKLLSYHYEFVGJB-UHFFFAOYSA-N	415.855	5.843	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3)s2)c1	729941778	XZJJOOBYNAVHBE-KRWDZBQOSA-N	422.579	5.249	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CSc2ccc3c4c(cccc24)CC3)c1	733771486	SVGNSDIFSCDJQZ-HXUWFJFHSA-N	416.546	5.028	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1	733843573	QVVPGLOKOOSGCB-IBGZPJMESA-N	421.497	5.121	30	20	HKED	
CCNC(=O)c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	734998027	JNGBEAXXGWCMLI-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1	735068343	VRKSBRXETDRFSX-MUUNZHRXSA-N	412.580	5.136	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740483207	QPJKNDDSPLGRKA-UHFFFAOYSA-N	414.534	5.279	30	20	HKED	
O=C(/C=C/c1cnc2ccc(Br)cn12)c1nc(-c2ccccc2)cs1	740765898	ZSCUVAMDKWBYDX-BQYQJAHWSA-N	410.296	5.116	30	20	HKED	
Cc1cccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c12	741431642	SHCQTKNLDZQVFG-SFHVURJKSA-N	405.910	5.672	30	20	HKED	
Cc1cc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2Cl)ccc1F	743103159	PKUPJPGCQSEZLM-JOCHJYFZSA-N	423.875	5.601	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(c3ccccc3Oc3ccccc3)C2=O)o1	743282621	OVUBVXNRAYAXOM-XDHOZWIPSA-N	404.472	5.349	30	20	HKED	
CCCCCCCOc1cccc(C=Nn2c(S)nnc2[C@H]2CCCCO2)c1	743452286	UOEGWLKPBPQPQN-LJQANCHMSA-N	402.564	5.040	30	20	HKED	
Cc1sc2ncn(N=C[C@H](C)CCc3ccccc3)c(=O)c2c1-c1ccccc1	749156761	NMSUBJUABGRUOG-QGZVFWFLSA-N	401.535	5.536	30	20	HKED	
C#CC[C@H](NCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccccc1	756997611	ZEKSHTAYDITCOP-NRFANRHFSA-N	409.942	5.335	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)c1	758646122	FKNCVDNQTIFXBW-KNQAVFIVSA-N	420.557	5.377	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1	759181249	BCULBKXZGMUKJT-GNISGLHKSA-N	413.864	5.283	30	20	HKED	
C=CC[C@H](c1ccncc1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	761265848	DFSURAKRGYYEAZ-RTBURBONSA-N	416.308	5.174	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	766258617	GOHXDLYKXSVEIL-GOSISDBHSA-N	421.909	5.369	30	20	HKED	
Cc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1C#N	766434483	ZQISPEOUERDFHE-UHFFFAOYSA-N	418.909	5.149	30	20	HKED	
Cn1c(CSCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc(Cl)cc1	769845735	IOAABHKJCCADLQ-UHFFFAOYSA-N	419.337	5.125	30	20	HKED	
CCOc1ccc(Oc2cc(CN[C@@H](C)c3ccc(OCC#N)cc3)ccn2)cc1	776159963	YDBTWTLNTNZWOU-SFHVURJKSA-N	403.482	5.026	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)C(=O)c1ccc(Cl)cc1	777303471	APCQORFHTFIASC-WFASDCNBSA-N	415.827	5.170	30	20	HKED	
C=CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl)c1ccccc1	778559715	TVYRRAJXZHHBAS-BBRMVZONSA-N	407.297	5.009	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1	779712569	JIQBDAZJUSUPGT-SFTDATJTSA-N	413.521	5.007	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	792924550	DLFZBVORUVAHOZ-FLIBITNWSA-N	424.840	5.106	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)C[C@@H]2c2ccccc2)c1=S	795747286	JJMAFXQPOFWGAJ-WIYYLYMNSA-N	405.571	5.093	30	20	HKED	
CCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C	798121375	GUKKBJHOGCJPHA-CLFYSBASSA-N	424.522	5.191	30	20	HKED	
CC[C@](O)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	800415261	NBXUKQXRCHGTOD-ISKFKSNPSA-N	404.897	5.232	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2cccc(SCc3ccccc3)c2)cc1	805549391	DJYCKKABSDTFJC-QHCPKHFHSA-N	412.514	5.276	30	20	HKED	
C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1cccc(C#N)c1	810257878	PGRVATLNWKHROJ-IERDGZPVSA-N	421.541	5.858	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)c(C(F)(F)F)c1	811624721	OMMQMPUSLFURCE-DHDCSXOGSA-N	424.494	5.082	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813219146	WWEBEHHKXVEWSB-UZLBHIALSA-N	424.422	5.335	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(C(F)(F)F)nc1Cl	817870322	NHHCPFOCDCELAQ-ZETCQYMHSA-N	422.621	5.423	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1	915353811	XSLUFXMQXPONCZ-AZGAKELHSA-N	418.500	5.648	30	20	HKED	
CCCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1	916908346	MDSDRBAGDHZOJX-OAQYLSRUSA-N	414.461	5.229	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)oc2ccc(Cl)cc12	916916672	ZKKZCXJLNJILCS-SFHVURJKSA-N	402.837	5.509	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1	916947820	BKPVGGULXWIYIT-BFUOFWGJSA-N	419.447	5.142	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1	916947830	BKPVGGULXWIYIT-YJYMSZOUSA-N	419.447	5.142	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	919983679	OOTNKUNDETVDGK-UHFFFAOYSA-N	418.305	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3)CCC2)cc1	1789626195	LULGVCDIAJJTDP-UHFFFAOYSA-N	419.569	5.141	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2	1792572995	YWYUSUVYKMXOLR-BJWYYQGGSA-N	423.384	5.238	30	20	HKED	
C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccc(C)cc1	1800606132	HZZZMZBOAISBMH-SNJCGAMXSA-N	416.565	5.126	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1	1829066011	LJHFDCOBLAIKPX-QFIPXVFZSA-N	414.590	5.122	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)cc1	6912488	CEBHVJKGDSRUBO-DEDYPNTBSA-N	405.523	5.018	30	20	HKED	
Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1cccc(O)c1	11153157	CRNHFKHQRCLKLD-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cccc(F)c2)cs1)c1ccc(F)cc1F	52733529	BYONGNBAAMXFOV-SOFGYWHQSA-N	402.397	5.141	30	20	HKED	
CC[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(OC)cc1	60640914	JKYMARBSPPJFLI-OAQYLSRUSA-N	402.519	5.599	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(NCC(F)(F)F)s2)cc1	60824309	JFGYUAWXHYDFRX-UHFFFAOYSA-N	406.458	5.343	30	20	HKED	
CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc21	78665358	SRWWSISZKGSEPK-OAHLLOKOSA-N	410.568	5.181	30	20	HKED	
CC1(C)OB(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)OC1(C)C	219866903	JTRMBPZYJPOLIB-UHFFFAOYSA-N	406.334	6.473	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(SC(F)(F)F)cc2)ccc1OC	237019741	QXWUNXAMXNDSBN-INIZCTEOSA-N	410.461	5.278	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1	237509194	SCUYONHWURXJBE-NRFANRHFSA-N	422.532	5.179	30	20	HKED	
C=CCNc1nnc(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)s1	255571747	SQIHFCJWZFNPPF-UHFFFAOYSA-N	410.528	5.282	30	20	HKED	
N#C[C@H](C(=O)CC12CC3CC(CC(C3)C1)C2)c1nc(O)c2c3c(sc2n1)CCCC3	301759896	IDHVOUKKDVZDBY-MMRXCNNESA-N	421.566	5.058	30	20	HKED	
Cc1nc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)oc1-c1ccc(Cl)cc1	302625336	FKJQYSLEVYAINT-UHFFFAOYSA-N	419.828	5.244	30	20	HKED	
Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)cs1	303033689	OGFJPQNZMBJDHS-UHFFFAOYSA-N	400.463	5.363	30	20	HKED	
O=C(NCc1cccc(OCC(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1F	303142290	DTRKWHZKIHFUPP-UHFFFAOYSA-N	410.289	5.107	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(F)c(F)c3)cc2Cl)c1	303165367	HUFPUORYDWAYSK-UHFFFAOYSA-N	416.786	5.460	30	20	HKED	
Cc1nc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)sc1SCC#N	409466624	SEFWFZZOYBFQDQ-UHFFFAOYSA-N	407.564	5.107	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	426295597	NZALVYYTZGPMDB-FQEVSTJZSA-N	419.525	5.424	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)s1	430588291	CWEGWXJOQSZVDT-SFHVURJKSA-N	421.497	5.322	30	20	HKED	
CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	433022346	JXRBMNAAKRXOQT-HXUWFJFHSA-N	402.502	5.083	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](c1ccccc1)c1ncc[nH]1	433141768	BIBTXCKAFRLDLI-JXFKEZNVSA-N	405.527	5.057	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ncc(-c2ccccc2)o1	438634050	PCWGWTGFPYXSCI-LBPRGKRZSA-N	400.360	5.115	30	20	HKED	
C=CCn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1ccoc1C	443444967	LNVDVYMYZFMFAN-UHFFFAOYSA-N	414.437	5.258	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c2ccccc21	443901860	AMDRASAYABUABS-UHFFFAOYSA-N	408.505	5.356	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1	462837519	YKFIIENDHKUEHT-HNNXBMFYSA-N	412.424	5.151	30	20	HKED	
C=CCn1c(Sc2ccnc(C)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	462919909	UJUOXHMUAUYONM-UHFFFAOYSA-N	424.526	5.008	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cnn1C	465232828	JDPRQTHCPADGLY-UHFFFAOYSA-N	415.375	5.055	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1	470482405	NLOAWUTWSUHNFW-KRWDZBQOSA-N	415.459	5.468	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](COC)Cc1ccccc1	472757086	VMXLEOGSBQBPLG-QUCCMNQESA-N	411.571	5.192	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1C(F)(F)F	474451675	ZQOWPVMXNCRDMA-ZDUSSCGKSA-N	418.444	5.270	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2coc(C3CCOCC3)n2)cc1Cl	474877427	YYUASCXJCVQBSE-IBGZPJMESA-N	421.884	5.130	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	475582022	LUBCSOKSRJKUKR-HXUWFJFHSA-N	424.520	5.106	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1	475594227	FCBZCLHEPONRLL-GHTZIAJQSA-N	400.444	5.847	30	20	HKED	
CN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1cc(Cl)ccc1C#N	479574200	CCUINWJFLVYNSR-UHFFFAOYSA-N	423.847	5.436	30	20	HKED	
C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C#N)cc1	479664785	JATMHYJYPCWGML-NSHDSACASA-N	407.278	5.055	30	20	HKED	
CC(C)C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	480307235	NRNZWDJMUXMFTI-RPWUZVMVSA-N	421.541	5.047	30	20	HKED	
CC[C@@H](C(=O)N1CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1)c1ccccc1	481931166	YYDRTCFLIRKZNM-AOYPEHQESA-N	415.581	5.100	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1	482079990	HNFQLSJRVUBTCO-UHFFFAOYSA-N	419.544	6.570	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCc1nc(-c2ccccc2)no1	482235124	ZRMZXKUOAVQCRB-UHFFFAOYSA-N	404.514	5.295	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nccc2ccccc12	483238848	XCXWENICPWTEDW-QGZVFWFLSA-N	422.362	5.883	30	20	HKED	
N#C[C@H](C(=O)c1ccnn1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	483466113	ZPJBBSCRONTLST-QGZVFWFLSA-N	404.882	5.139	30	20	HKED	
CCc1cc(O)ccc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	483693249	OZCNNFAXKGXRND-UHFFFAOYSA-N	403.438	5.271	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Br	484264578	ODBMMXBKXNEGAZ-ZIAGYGMSSA-N	419.344	5.249	30	20	HKED	
C=CCSc1ccccc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C	485473359	GUQMXXITGBYOAK-GOSISDBHSA-N	408.489	5.016	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	487559086	MACZTBWUNGFLME-ZDUSSCGKSA-N	411.458	5.214	30	20	HKED	
CCc1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	496094434	SIERGXPAGHLAQL-LBPRGKRZSA-N	406.294	5.466	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc2ccccc2s1	500732589	LOAFYSGTDKPCFD-UHFFFAOYSA-N	413.502	5.840	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1	505062265	QGMHJVGUTUCJIQ-FQEVSTJZSA-N	402.441	5.012	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccc(OCc2ccccc2)cc1	505355393	HVGWUDNPCAMNJJ-RBBKRZOGSA-N	420.559	5.039	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)c1ccc(Br)s1	505540363	NMWMDXGSEKROAM-GZMMTYOYSA-N	418.143	5.302	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCc2ccc(N3CCc4ccccc4C3)nc2)CC1	507619322	GJSRKJYVTOWPTK-UHFFFAOYSA-N	422.576	5.138	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(F)cc1	509817231	AMKPCHUFAPYFML-QFIPXVFZSA-N	409.505	5.038	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510678917	GABODEQEQKLHFM-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)cs1	520171362	GAEYHGIIRUJHBW-UHFFFAOYSA-N	404.539	5.680	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccoc3)no2)nnc1-c1ccc(C(C)(C)C)cc1	521548195	OIFKTYZANVYQNQ-UHFFFAOYSA-N	421.526	5.364	30	20	HKED	
CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	521796256	ATKMVKRXAMWNQM-KRWDZBQOSA-N	420.538	5.308	30	20	HKED	
CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	524128677	YKQMFFHRBOOTDV-DVECYGJZSA-N	405.542	5.764	30	20	HKED	
N#C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C1CCCCC1	524535480	GSHOIJGNECCEAY-IBGZPJMESA-N	413.930	5.256	30	20	HKED	
C=CCn1c(SCc2ccn(-c3ccc(F)cc3)n2)nnc1-c1cccc(C)c1	525623768	AVIGLIGLWAGWFF-UHFFFAOYSA-N	405.502	5.057	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1ccccc1F	525650076	FZOOSLXDXLXKSY-OAHLLOKOSA-N	423.517	5.034	30	20	HKED	
Fc1ccc(-c2noc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)cc1	539422912	JKAYWOUJBOOMFJ-HNNXBMFYSA-N	419.300	5.288	30	20	HKED	
N#CCc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1	542193282	AEPUWSDCXAQXMO-UHFFFAOYSA-N	410.930	5.204	30	20	HKED	
C=C(C)[C@@H](Cc1nc(-c2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)no1)OCC	544495004	FDFCDWMBRPXLPH-GOSISDBHSA-N	420.435	5.082	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCC(C)CC4)nc3)n2)cc1	546863676	GERMHFSFDFUDNL-FQEVSTJZSA-N	416.550	5.240	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](COC)C1	558981747	KHKIHHYWKFTIIL-WOJBJXKFSA-N	420.557	5.010	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	569309943	GGNMOCAIZWCTGP-HJPURHCSSA-N	416.456	5.500	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C1CC1	569523096	ARKDCZQTSTWFPP-UHFFFAOYSA-N	416.550	5.692	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1	591501330	NYSRLSQAGVOUCK-QHCPKHFHSA-N	403.526	5.164	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)cn2)cc1	604241735	KOARJVYKOGDHCN-UHFFFAOYSA-N	423.259	5.786	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(Cl)c1	609378438	MBBOFLJKGSOXHB-UHFFFAOYSA-N	414.836	5.382	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1	609443719	FJHWNIHRDDSTSG-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609503162	BKGHZKQYRMMDDL-UHFFFAOYSA-N	404.441	5.724	30	20	HKED	
N#CCc1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c1	609508076	WJOFMGDXOMTSPM-UHFFFAOYSA-N	415.543	5.832	30	20	HKED	
Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609636068	LFSMIDMVQFGVMU-JOCHJYFZSA-N	412.493	5.293	30	20	HKED	
COc1ccc(OC)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	609722476	GVHLDTUHKVEOQW-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
Cc1c(Cl)ccc2c1N(C(=O)c1ccc(COc3ccc(C#N)cc3)o1)CCC2	609870728	YXDCNGNNZKQBMX-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	610019123	DBUKGCIOBNXHAQ-YYDVJCTNSA-N	407.583	6.252	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	610156904	FQVAGGKAYDDRPF-FVQBIDKESA-N	420.456	5.579	30	20	HKED	
N#Cc1cc(NC(=O)N2C3CCC2CC3)ccc1Oc1ccc(C(F)(F)F)cc1	610331698	DUYVBTVUIYEXPW-UHFFFAOYSA-N	401.388	5.528	30	20	HKED	
C[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cccc(C#N)c1	610359068	DRPDEXYONDUMQS-ZDUSSCGKSA-N	409.898	5.016	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCN(C)c2ccccc21	611009881	BMVNKIXHZLZSRH-HSZRJFAPSA-N	411.505	5.008	30	20	HKED	
Cc1nc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)sc1SCC#N	611184875	YSQKAARHKXYWTM-UHFFFAOYSA-N	422.507	5.381	30	20	HKED	
C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	611899319	UKANDIYKLQMVQQ-CQSZACIVSA-N	420.299	5.895	30	20	HKED	
COc1cccc(CC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	612306911	NTTKMXXGAKDGSD-SFHVURJKSA-N	423.582	5.576	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613320065	SWLZXFPGNACYFM-CQSZACIVSA-N	401.944	5.842	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	615914003	SSEOHKBQPOUICG-HXUWFJFHSA-N	418.946	5.022	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cs2)cc1	618787835	OXHFCUSYPGAMBX-JOCHJYFZSA-N	401.535	5.151	30	20	HKED	
C[C@]1(C#N)CCCN(c2nnc(Cc3cccc4ccccc34)n2Cc2ccccc2)C1	619818507	TWPAVZXRFDXFOG-HHHXNRCGSA-N	421.548	5.200	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cs2)cc1	623759123	RAMYFFXBZFVQEO-LJQANCHMSA-N	413.502	5.636	30	20	HKED	
COCCC[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	669613216	RGUAXOIXZLYDAO-CPUCHLNUSA-N	415.393	5.793	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](Cc2ccncc2)C1)c1ccc(C(F)(F)F)cc1	679874214	ZXDGEMXNOVCZCB-RXVVDRJESA-N	417.475	5.382	30	20	HKED	
C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cnn(CCC(C)C)c1C(C)C	683138115	IGLWOUHCPJTAGU-UHFFFAOYSA-N	421.545	5.055	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1OC1CCCC1	727588721	XFGYYTRHNZUENM-UHFFFAOYSA-N	405.498	5.085	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(Cl)n1	727999702	PETHJNVUJSIWJJ-UHFFFAOYSA-N	412.276	5.400	30	20	HKED	
CC[C@@H]1CCc2sc(-c3nnc(SCc4ccc(OCC#N)cc4)n3C)cc2C1	729242630	XDRJLPFWOGECSH-OAHLLOKOSA-N	424.595	5.253	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)CC(C)(C)C)ccc1OC	733656033	GFEQPXOSFZBWBW-OAQYLSRUSA-N	423.557	5.134	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1	733851901	MNTLTLDEVHVURW-QHCPKHFHSA-N	405.542	5.365	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)Cc1ccc(OCC#N)cc1	739303988	NBOXMFFDKHXFPA-HNNXBMFYSA-N	410.470	5.007	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)NCc3coc(-c4cccs4)n3)c2)s1	740025879	NIBUYTZDELHUFP-UHFFFAOYSA-N	420.519	5.003	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740482960	JWHXELOPRRXDLI-UHFFFAOYSA-N	412.518	5.056	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1	743152193	NHVPQUPITFFWBZ-GOSISDBHSA-N	423.582	6.011	30	20	HKED	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	743238474	QRGFVSBVSFLHKF-AWEZNQCLSA-N	421.428	5.087	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744036134	VXLAUHCHSAEFQG-ZHZWZMEUSA-N	420.843	6.248	30	20	HKED	
N#CCC[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1	749046577	YSISMUOKOXDKLG-HXUWFJFHSA-N	412.580	5.095	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1	749949720	PGPKDJJQQDYLPR-IBGZPJMESA-N	418.415	5.099	30	20	HKED	
O=C1/C(=C/c2ccc(N3CCOCC3)cc2)CCc2cc(SC(F)F)ccc21	750917679	WBPURSSULGVRGH-GHRIWEEISA-N	401.478	5.050	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(F)cc2C)cs1	750938522	JMMPLINSHNFCAP-UHFFFAOYSA-N	402.882	5.375	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1Cl	751087512	SEEXAGXQXYXLKH-SFHVURJKSA-N	409.804	5.295	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12	752037370	FDMCQEVZHXOGJY-XUZZJYLKSA-N	407.473	5.407	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](CC)c1ccc(OC)cc1	752478126	YQKWTBZSQFTXPY-SIKLNZKXSA-N	406.526	5.051	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCOc2c(Br)cccc21	753143356	FAAVWZHZJNRGOK-RAXLEYEMSA-N	413.296	5.016	30	20	HKED	
Cc1sc2ncn(N=Cc3cccc(-c4cccnc4)c3)c(=O)c2c1-c1ccccc1	768477111	USMSCNXMJKWISK-UHFFFAOYSA-N	422.513	5.378	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Oc1ccc(C#N)cc1F	769740161	JCVFQZKIJWAGER-UHFFFAOYSA-N	414.845	5.192	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2	772230654	NCUBZTYRDMXJIP-CJOZULMCSA-N	403.526	5.011	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)OC[C@@H](C#N)Cc3cccs3)cs2)cc1	772743464	SBBGZYOUEYFIPL-OAHLLOKOSA-N	412.536	5.198	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2cc3cnn(C(C)C)c3nc2Cl)cc1	775179779	QVTBGKAWBZGMNY-UHFFFAOYSA-N	423.948	5.092	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1Oc1ccccc1C#N	778181866	TYGKOQNTWKNNRI-SFHVURJKSA-N	414.461	5.151	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1	780668414	VZZWYPSFHMQFRW-AWEZNQCLSA-N	405.420	5.096	30	20	HKED	
COc1cc(/C=C/C(=O)c2cncs2)ccc1OCCOc1ccccc1Cl	787171491	NKADLISMEFZGMN-SOFGYWHQSA-N	415.898	5.159	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1F	789347838	JCHIGOBARWAPMH-LBPRGKRZSA-N	405.807	5.378	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	789455419	KXCUMNOOVCLEPZ-UHFFFAOYSA-N	401.551	5.060	30	20	HKED	
C[C@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1	791749513	VSUIIFFCOUOCJK-CYFREDJKSA-N	410.473	5.124	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1cnc2ccccc2n1	792099585	DQFXCGNHHXXEMI-FPISAVPCSA-N	415.905	5.901	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	795019856	PXKILSWGUBUICV-UHFFFAOYSA-N	404.442	5.509	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	795331245	GJLFDYIASTWMII-YOEHRIQHSA-N	400.309	5.329	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	796644342	VYYPJYXXZNCYMW-GFCCVEGCSA-N	421.519	5.309	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2-c2csc(C)n2)c1	797669422	NOBGQBFBTMDPCB-QGZVFWFLSA-N	406.511	5.121	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	799603279	GAAZTDPHBBKTMY-LJQANCHMSA-N	402.519	5.676	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	800534850	VHYZKPYNUXLFPX-UHFFFAOYSA-N	408.571	5.370	30	20	HKED	
CCCCCCCCC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1	801248469	DDTLZBITYDLDPK-UHFFFAOYSA-N	401.469	5.146	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)cc1C#N	806363457	ABSQVTTXRAVNSO-HRAATJIYSA-N	406.486	5.132	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2CSc2nc(C)cs2)cc1	809257436	DZSZHNSCFCIAMA-HXUWFJFHSA-N	407.564	5.301	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)cc(Cl)n3)cc2)ccn1	811613100	UPHWOWSXLFLSRN-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	811883345	QZHPRANYOKJICU-UHFFFAOYSA-N	413.543	5.042	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)sc2ccc(Br)cc12	815915383	MVASSMLRBJZLLM-ZDUSSCGKSA-N	411.280	5.604	30	20	HKED	
CC(=O)Nc1ccc(C(C)=NOCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1	837159847	PALPXDHKDBZSGO-UHFFFAOYSA-N	409.530	5.271	30	20	HKED	
C=CCCC[C@H](C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1	883982967	REZSUAYHQNQGPS-CBNMVNINSA-N	408.508	5.048	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915085591	NTSDQMXQNLZZRE-QFIPXVFZSA-N	411.436	5.697	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCSCc2ccccc2F)cc1	915350296	QAVLDQAXPIPODK-QFIPXVFZSA-N	419.525	5.536	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1	915352281	JGOSPGNDZXKWCR-FTJBHMTQSA-N	424.548	5.301	30	20	HKED	
C=CCN(C(=O)c1ccc(Oc2ccc(C(=O)N(CC=C)C(C)C)cc2)cc1)C(C)C	915854759	YNQCSQTXDLZUHY-UHFFFAOYSA-N	420.553	5.552	30	20	HKED	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C\c1ccc(OCc2ccncc2)cc1	915986799	DLCSXVYIEBCAMO-TZKOODLUSA-N	412.445	5.399	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2C)cc1Cl	916154523	JEJKGDQWHPNDRV-ZHACJKMWSA-N	410.901	5.115	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc2ccccc12	916907549	JJRWKIMFVWCDRT-GOSISDBHSA-N	412.470	5.655	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc(-c2ccccc2)s1	916932516	XCVVUQWWHSCAOC-ZDUSSCGKSA-N	416.289	5.078	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)cc1	917119475	HIUBZNFZLWBDOO-OAQYLSRUSA-N	404.416	5.222	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1CC2	920102770	YQYIAVLYIJHCCY-IBGZPJMESA-N	410.498	5.509	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)s1)c1nc(-c2c(F)cccc2F)cs1	920805317	BRSVXQMMLAREJV-VLWUPBBWSA-N	406.866	5.693	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](CC)c4ccccc4)cc3)CCC2)C1	1787642973	MAHMTLAISOIAAA-HSZRJFAPSA-N	402.538	5.281	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)n(C)c3C)cc2)CCC1	1789973610	XPNNBOSHNRINHU-UHFFFAOYSA-N	419.569	5.158	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cc(C)cc(C)c2)cc1	10172684	KKLOMYIXLZIOBG-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
CSc1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	10399120	CVNSEFNGTSRICK-LLVKDONJSA-N	411.474	5.122	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(C(CC)CC)cc1	22803469	KQCOHXDVWDHOST-UHFFFAOYSA-O	403.999	5.470	30	20	HKED	
Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccc(C(C)(C)C#N)cc3)nc12	25840533	DOXYAFIEGTWZKU-UHFFFAOYSA-N	424.504	5.275	30	20	HKED	
CCn1ncc2c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc(-c3ccccc3)nc21	47375941	UVDDGFGVYVSGLF-FQEVSTJZSA-N	417.472	5.156	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)c2)c1	55772181	HFYHLADIYVNBLF-DOTOQJQBSA-N	415.415	5.118	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(C(F)(F)F)cc1	57564477	USMJYMFLUZGQCL-UHFFFAOYSA-N	423.435	5.493	30	20	HKED	
C=C(C)CSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	97605517	BNRDJCYTSNSIBM-YBEGLDIGSA-N	404.944	5.463	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1	303172619	JKYAIWNVODOENC-DEOSSOPVSA-N	412.489	5.123	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cnn1Cc1ccccc1	303357477	PEBLEHJVEQAPOC-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
C[C@H](NC(C)(C)CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1	303374217	KIGLXOYXTFGEMF-MSOLQXFVSA-N	410.587	5.189	30	20	HKED	
C=CCN(C(=O)c1ccc(Cl)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	303764536	LQZPKNKBFMURTI-UHFFFAOYSA-N	424.740	5.998	30	20	HKED	
CC(C)[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1	410214219	FWSIQZPDZBBTSQ-ZDUSSCGKSA-N	400.338	5.049	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc(C#N)cc3Cl)ccc21	430362001	VSYJEPSZQSMPCF-UHFFFAOYSA-N	406.795	5.413	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)c1	430757180	NXHGAOGWGGTZEC-SFHVURJKSA-N	401.329	5.042	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1	431633395	CTMFAMDUKYWGSV-UHFFFAOYSA-N	410.477	5.019	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	432008862	XFNKCJLMCJJVDH-QFIPXVFZSA-N	420.944	5.571	30	20	HKED	
N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	433313735	WTBSBOWOYPUWJA-GOSISDBHSA-N	423.944	5.114	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	433971422	YFTRDSNXSSEMPY-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(Cl)c1	439444628	XNZPYULHZVWEFR-INIZCTEOSA-N	406.757	6.014	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cnn1-c1cccc(C#N)c1	439686891	UWPHISRTROHSRY-VGOFRKELSA-N	417.513	5.295	30	20	HKED	
C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1cccc(C#N)c1	442915580	XJVXLKDODWFFTB-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CC[C@@H](CC(F)(F)F)C1	446369785	OLRWKDJPACCDQQ-QPUJVOFHSA-N	406.729	5.066	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F	460461094	PCIVANNPAUWAGB-MRXNPFEDSA-N	407.329	5.453	30	20	HKED	
Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)c(C)c1	464948064	GPEHOZUDYJAYIN-IFMALSPDSA-N	401.535	5.339	30	20	HKED	
CCOc1cccc(CNC(=O)c2ccccc2-c2ccccc2C#N)c1OC(F)F	465048054	YJKWIQMZDGKSKN-UHFFFAOYSA-N	422.431	5.155	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc3cc[nH]c23)cc1	466582816	ACSVGXXUKQLJGJ-UHFFFAOYSA-N	412.449	5.162	30	20	HKED	
Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469081333	PHSFIMQELQRUEV-HNNXBMFYSA-N	410.587	5.505	30	20	HKED	
Cc1ccc(C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)c2ccccn2)cc1	469435304	ADHQBZGDPNRPGY-RUZDIDTESA-N	422.532	5.362	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)cc1	471057613	XRHUKYZBPWITKW-NRFANRHFSA-N	417.871	5.016	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1ccccc1	475015230	RBQJBCHTAMHGCO-SFHVURJKSA-N	401.441	5.104	30	20	HKED	
Cc1nc([C@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)oc1-c1ccc(Cl)cc1	477287952	XSYXAZWPWIKRGQ-KRWDZBQOSA-N	421.928	5.780	30	20	HKED	
CC(C)CN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCc2cccnc21	480556933	SFBZFNGRLCFCGI-RXVVDRJESA-N	422.598	5.901	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1ccccc1C	481349393	YDRKRFHSCYFSGA-UHFFFAOYSA-N	411.481	5.477	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12	483197838	MBIRZQNRGUSNBA-LJQANCHMSA-N	401.466	5.220	30	20	HKED	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1	483544363	NQPOGCGEHPAMHQ-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(Br)c(Cl)c1Cl)c1ccccc1	484079401	OJHZEUJMHMAUOC-GFCCVEGCSA-N	412.114	5.782	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1Br	485234190	JHEUFDILFQISJF-YOEHRIQHSA-N	418.722	5.406	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	485742188	LWRHXBFVNYSLQR-UHFFFAOYSA-N	414.530	5.862	30	20	HKED	
CSc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1[N+](=O)[O-]	486244047	LRONAIFMRCZNFO-UHFFFAOYSA-N	419.462	5.541	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](CCCC#N)c1ccccc1	487293511	BRPXTVVYEDELBS-BEFAXECRSA-N	417.372	5.481	30	20	HKED	
N#CCCC[C@H](NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccccc1	487546299	WBWABOOHVBFKEN-KRWDZBQOSA-N	423.314	5.004	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1ccccn1	491997837	UZDIXHFAKXKUFO-JOCHJYFZSA-N	413.502	5.004	30	20	HKED	
N#C[C@@H](C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)c1nc2ccccc2o1	496629953	IGHMQVBSIUXZIY-AWEZNQCLSA-N	424.243	5.812	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1	499419120	LFFAXCLXEKBHTK-KXBFYZLASA-N	415.331	5.029	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1	501619648	CVGHYPZMIHMBEI-UHFFFAOYSA-N	401.963	5.113	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl	503221997	DKGQREYRENYVLJ-BLLLJJGKSA-N	420.365	6.197	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3ccccc3)CCCC2)cc1	506740770	BPANMGQEOJJFPM-UHFFFAOYSA-N	403.526	5.092	30	20	HKED	
N#CCCCOc1cccc(CNc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1	507979431	NJWLCGWUQFVUOT-UHFFFAOYSA-N	400.404	5.186	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(Nc2cccc(C)c2)CC1	508885946	VJZVLBRFQVQBLT-UHFFFAOYSA-N	424.552	5.069	30	20	HKED	
Cc1cc(OC(F)F)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)s1	510493581	UXRVCYDGPZTECX-UHFFFAOYSA-N	416.474	5.609	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2cccc3cccnc23)cc1	510502530	OYMFDQGMUWAQPT-UHFFFAOYSA-N	408.461	5.263	30	20	HKED	
C=CCn1c(SCc2cnc(C)cn2)nc2sc(-c3ccccc3)c(C)c2c1=O	511088200	FBWFXDTULPUBEH-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1F	511544596	BZSSLFVRNZSWIR-UHFFFAOYSA-N	422.481	5.370	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCCC(C)C	512964948	XFIDCXHSSBALJE-SFHVURJKSA-N	421.522	5.129	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)n1	513686763	FRBUJMPVNKGVBW-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
CCCc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc1C	515655678	ZBKMRRGVSOHIAW-UHFFFAOYSA-N	404.535	5.906	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2c(Cl)cccc12	516713632	DCGPBKMQRDRNDR-MRXNPFEDSA-N	417.877	5.880	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1SCCC#N	517443370	TUNPZPUTAAHKKW-LJQANCHMSA-N	416.546	5.689	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1c(F)cccc1F	517450969	STNIDSFXOPYMHN-KBPBESRZSA-N	406.523	5.649	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)nc1	517654556	XOUCCZZLVNKVNC-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
C[C@H](SCC(=O)N(CCC#N)c1ccccc1)c1ccc(OC(F)(F)F)cc1	518916044	ABVNKAWYBYLQNR-HNNXBMFYSA-N	408.445	5.326	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(OC(F)F)c1	520938318	TYUVJIZEGBUMBU-KGLIPLIRSA-N	405.470	5.565	30	20	HKED	
Cc1nc(NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)sc1SCC#N	521345853	ZFVCCXPYQVLPQO-UHFFFAOYSA-N	415.584	5.162	30	20	HKED	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	521551637	MJWNIJXNRSMEAG-INIZCTEOSA-N	422.431	5.016	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521936081	SJMIAPRLLTUBNP-UHFFFAOYSA-N	422.488	5.600	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1ccncc1	524441052	PKVHLPSFLDQVBQ-SFHVURJKSA-N	400.482	5.066	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C#N)C1CCCCC1	524539277	ZIDYHYDWTLANTR-GOSISDBHSA-N	402.951	5.261	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(COCc2ccco2)c1	527154690	RETDRFQSDCRVLH-UHFFFAOYSA-N	404.510	5.284	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	530790432	DQHHLKULOKEMMG-CQSZACIVSA-N	424.957	5.546	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccc([N+](=O)[O-])c1	532827682	QOTXZDVOAMIKNB-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
CCC(CC)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C	535232117	ANSOXLJOUFAIFB-UHFFFAOYSA-N	402.498	5.777	30	20	HKED	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(CC#N)cc1	535472238	IAZUJZGVAYGNGA-HZPDHXFCSA-N	409.917	5.061	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)cc2)CC1	537443101	RFJLDZVJNJISOC-JOCHJYFZSA-N	401.897	5.004	30	20	HKED	
C=CCCC[C@H](C)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1	539247895	DBCFZYITMCORKL-INIZCTEOSA-N	400.460	5.039	30	20	HKED	
C[C@H](NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543942281	CMVFCYNWVCYSTK-MOPGFXCFSA-N	413.521	5.264	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@H](CCCC#N)c1ccccc1	550831248	UTAVUJDDNPZDBR-HRAATJIYSA-N	409.986	6.858	30	20	HKED	
COc1cccc(Cn2ccc3ccc(NC(=O)c4cc(C#N)ccc4Cl)cc32)c1	552405625	OQNFHBMTGCEKPK-UHFFFAOYSA-N	415.880	5.476	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	553330152	ZDMGWDCAXXYLIN-MOPGFXCFSA-N	423.469	5.180	30	20	HKED	
CCOc1cccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c1OC(F)F	558493072	JVDVSNUOJDMRID-UHFFFAOYSA-N	411.408	5.358	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	569309945	GGNMOCAIZWCTGP-QMHKHESXSA-N	416.456	5.500	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C#N)c2ccccc2n1	570125741	WFWLWBLPBRELOF-UHFFFAOYSA-N	423.259	5.629	30	20	HKED	
CCCc1c(N[C@H](C)c2ccc(Br)cn2)cnn1-c1cccc(C#N)c1	571944828	HVXSFXAQVOZSSE-CQSZACIVSA-N	410.319	5.027	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCc3cccc(O)c32)cc1Cl	578828501	OKYSSBCYZSAFRS-WOJBJXKFSA-N	402.881	5.370	30	20	HKED	
CC(C)(C)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1	590299425	FMAJHONENKNQIT-LJQANCHMSA-N	411.933	5.127	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-n2cccc2)c(F)c1	591129289	GCEUATOJLWQTTH-WDNDVIMCSA-N	422.344	5.256	30	20	HKED	
N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)nc1	602373912	OLEUTHWFYTVJNN-UHFFFAOYSA-N	403.898	5.065	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1	608802958	QAMAWPGIXSCRJG-UHFFFAOYSA-N	421.667	5.943	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Oc1ccccc1Cl	609061300	NJXNPYGSNLLZJG-QGZVFWFLSA-N	420.896	5.505	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)Cc2sc(C)nc2-c2cccs2)cc1	609413482	CFCGYGXQPUIDKS-UHFFFAOYSA-N	411.552	5.068	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cs1	609427622	SYTKETMRFDIVJA-CQSZACIVSA-N	409.536	5.465	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1	609435228	ZIEAZPJBIARMRZ-HXUWFJFHSA-N	415.562	6.315	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1	609729466	DQPGLHCQWWWSMF-FQEVSTJZSA-N	405.816	5.138	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1	609982143	ATBTYCOSPPSYGD-IBGZPJMESA-N	414.530	5.348	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	609989514	HHAMGZOVQFUHDX-SJCJKPOMSA-N	414.349	5.284	30	20	HKED	
COC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	611142872	YMZUQDHPSULFSG-OAQYLSRUSA-N	414.914	5.037	30	20	HKED	
CC(C)CN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc(C#N)cc1	611184731	ZVPFQSOMIJWZAO-UHFFFAOYSA-N	411.477	5.922	30	20	HKED	
N#C[C@@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc(-c2ccccc2)cs1	613392490	VEAGBQRCEYZELG-SFHVURJKSA-N	421.485	5.010	30	20	HKED	
O=C(N[C@H](c1ccccc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618555651	SKGDDAIWGGPIIR-GRYCIOLGSA-N	422.291	5.062	30	20	HKED	
C=CCOc1cccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	619321930	FPJFBVMJINYFJO-RYUDHWBXSA-N	410.358	5.282	30	20	HKED	
C[C@@H](NC1CCN(CC(F)F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	675791691	DPJHYQDWHDDZEA-SNVBAGLBSA-N	404.345	5.104	30	20	HKED	
O=C(c1ccc(F)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	676037582	DDQHOJWRVVDHSM-OCAPTIKFSA-N	411.239	5.047	30	20	HKED	
O=C(CCCc1cc(F)ccc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	677749298	XHBJDGBJAMAPFV-RYUDHWBXSA-N	417.340	5.313	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1	726940309	QBJAWLHIPWEPCN-UHFFFAOYSA-N	411.480	5.698	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1	728479451	UFMKODWQPUWEJD-UHFFFAOYSA-N	400.526	5.020	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C\c2cc(C(=O)O)c3ccc(Br)cc3n2)cc1	728698831	PLIDATYACRZGRL-IUAZIXFQSA-N	423.266	5.157	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@H](c1ccccc1)C(C)C	728766720	HPLGXNFCVBISHP-ROUUACIJSA-N	412.917	5.134	30	20	HKED	
CN(c1ccccc1)c1ccc(C=Nn2c(S)nnc2-c2ccc(F)cc2)cc1	730549519	ZYWFBRHGBJXHMW-UHFFFAOYSA-N	403.486	5.023	30	20	HKED	
O=C1/C(=C\c2coc(-c3ccccc3)n2)CCC/C1=C\c1coc(-c2ccccc2)n1	731835439	CWAHCPRTXKRFSI-TVGQLCNQSA-N	408.457	6.217	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C)c2c(Cl)cccc2Cl)ccc1OC	733232573	UJDFPQBXIPWEAO-HIFRSBDPSA-N	421.324	5.103	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(N(C)c3ccccc3)cc2)ccc1OC	733329276	BNEYMMOOEBAHEV-DEOSSOPVSA-N	415.537	5.434	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)c1	733806877	OYAUVSGDGROJEX-ZBFHGGJFSA-N	420.340	5.277	30	20	HKED	
COc1ccc([C@@H](NCc2cc(Cl)ccc2OCC#N)c2ccc(F)cc2)cc1	735309558	OWCIQDPBGNDMNX-QHCPKHFHSA-N	410.876	5.269	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(-c3cc(C)cc(C)c3)cc2)ccc1S(C)(=O)=O	741467183	KZVNTTGVHZBODT-YRNVUSSQSA-N	420.530	5.279	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2OC)cc1	741471351	ZJOJOJURTJNLPA-SQFISAMPSA-N	404.462	5.284	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1c(Cl)nc2sccn12	741843472	GMVJPSZHNPCKBE-BQYQJAHWSA-N	403.294	5.093	30	20	HKED	
COc1cc(F)c([N+](=O)[O-])c(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	747204687	ZXELPHMLFGYJSH-YUMQZZPRSA-N	404.282	5.064	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	752376625	UCWRJKMHOBVXLB-UHFFFAOYSA-N	404.426	5.037	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1OC(F)F	753398597	RXQIJDRPLBMTPU-QSOAKEGCSA-N	411.433	5.086	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCC(O)CC2)cc1	753717283	KOFGUHPXXZPHTL-BAQGIRSFSA-N	409.835	5.216	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(CCC(F)(F)F)c2)cc1	754015804	ZRWASJSHKIVQAJ-QGZVFWFLSA-N	403.448	5.237	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c1	754531348	KMJCLCUSXNDOLO-INIZCTEOSA-N	417.292	5.002	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(Br)c(Cl)c2)ccc1OC	755195845	QPVUHVPWUAJSLT-OAHLLOKOSA-N	423.738	5.082	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)C1CCCC1	756548014	NDDYSIMHTBMDIA-UHFFFAOYSA-N	421.488	5.224	30	20	HKED	
C=CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)ccc1F	758281308	YYPJVGCJSSMMQX-UHFFFAOYSA-N	415.424	5.175	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](Cc2ccccc2F)c2ccccc2)ccc1OC	759997547	COEDRGMGTQRTIL-LADGPHEKSA-N	418.512	5.589	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(Br)cc2)ccc1OC	760477266	FCTLUDMUFBVDGU-RTBURBONSA-N	417.347	5.380	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1OCc1ccc([N+](=O)[O-])cc1	762441793	CDDIQWVJRFTXEK-WTKPLQERSA-N	420.446	5.012	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1sccc1SC(F)F	764749861	JSRWYJPCCJHJSU-UHFFFAOYSA-N	424.281	5.391	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H](CC(F)(F)F)C2)c1=S	766123290	ZEALALWAUFLKKW-CYBMUJFWSA-N	416.900	5.152	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ncccc3F)n2)cc1	768316232	AUQCSVSQBJMJLV-GOSISDBHSA-N	414.465	5.252	30	20	HKED	
COc1ccc(N(C(C)=O)c2nc(C=NNc3c(F)cccc3Cl)cs2)cc1	769827281	SVDGDWCYXBPKPC-UHFFFAOYSA-N	418.881	5.075	30	20	HKED	
N#CCc1ccc(COC(=O)c2csc(-c3cc(Br)cs3)n2)cc1	776112151	QYTJQLRRMCJYRV-UHFFFAOYSA-N	419.325	5.057	30	20	HKED	
CCCCCCCCN(Cc1ccccc1)C(=O)c1cc2c(nc1O)CCCC2=O	777501009	AOZPLTHAUSIGOA-UHFFFAOYSA-N	408.542	5.309	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c1=S	782951126	BYBKFLCESMMNHD-SIKLNZKXSA-N	419.598	5.196	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C(F)(F)F)c(F)c1	784491572	WCRPAGFWQSPCJF-GFCCVEGCSA-N	419.161	5.112	30	20	HKED	
COc1cccc(Cl)c1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	790537614	URNHXYXLNIOOBK-LJQANCHMSA-N	405.885	5.326	30	20	HKED	
N#C[C@@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1nccc2ccccc12	792103610	SMKWTCNKKKYDEG-QFIPXVFZSA-N	416.484	5.052	30	20	HKED	
C#C[C@@H](NC(=O)c1ccccc1SCc1csc(C)n1)c1ccc(Cl)cc1	794061020	TXXMBYVOUJCZKP-LJQANCHMSA-N	412.967	5.502	30	20	HKED	
CN(c1ccccc1)c1ccc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cn1	797787878	FJWZCMOVIWJCNG-ZSOIEALJSA-N	424.504	5.058	30	20	HKED	
CC(C)c1ccc(CSc2nn(CN(CCC#N)CCC#N)c(=S)s2)cc1	798149707	KGWPUKMPPMNKCS-UHFFFAOYSA-N	417.629	5.177	30	20	HKED	
CC[C@@](C)(C#N)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	803783188	UUZQQBJMEJUUBX-WNSKOXEYSA-N	421.522	5.082	30	20	HKED	
COc1ccc(-n2c(SCC3(C#N)CCCC3)nnc2-c2ccccc2OC)cc1	806585173	LJOIXAKSMQWGMJ-UHFFFAOYSA-N	420.538	5.128	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	810202484	BZUZQSBZCOZPMX-JPYJTQIMSA-N	415.493	5.092	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](Cc2ccccc2)c2ccc(OC)cc2)c1	810225388	CGVKUBYSQFXGQH-ZEQKJWHPSA-N	400.522	5.450	30	20	HKED	
N#C[C@@H](C(=O)C1(c2c(Cl)cccc2Cl)CCC1)c1cc(C(F)(F)F)ccn1	813214968	GPWKREDNNQEBGP-GFCCVEGCSA-N	413.226	5.705	30	20	HKED	
COc1ccc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2c1	815908559	DWFAKUADGSELLF-KRWDZBQOSA-N	413.260	5.116	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Cc3cnc4ccccc4n3)n2)cc1	815911248	WGQQMQHDRQLLHK-VQIMIIECSA-N	412.518	5.117	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1	817320072	WWNXCNCJDDEDEJ-JOCHJYFZSA-N	406.489	5.462	30	20	HKED	
CC(C)(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F	883977432	IMEVROCZZWUGNC-UWVGGRQHSA-N	417.340	5.268	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1	915086569	LGEFZKUGHPABMA-RUZDIDTESA-N	406.489	5.099	30	20	HKED	
C[C@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104860	ODWSLMGVQDIXEP-CMPLNLGQSA-N	408.376	5.098	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1ccccn1)c1sccc1Br	915115114	XQGROFUXYYZEKK-HJWRWDBZSA-N	400.297	5.381	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCSCc2ccccc2)cc1	915351531	DPOIYUDBVISFTA-HSZRJFAPSA-N	401.535	5.397	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1ccc(Br)s1	915981520	RFIKDECRNUVGGC-ZZXKWVIFSA-N	400.297	5.381	30	20	HKED	
O=C(Nc1cccc(/C=C2/Cc3ccccc3C2=O)c1)c1ccc(Cl)cc1Cl	916137286	YHZRFAUEBCODEW-YBEGLDIGSA-N	408.284	6.068	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(F)(F)F)cc3)n2)cc1	916974798	RBJREUPKHRHGMI-QGZVFWFLSA-N	416.424	5.436	30	20	HKED	
CCCCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2OCC)cc1	917029692	NXXRVAIPMORPCT-UHFFFAOYSA-N	410.543	5.084	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3ccc(C)cc3C)n2)cc1	920139371	SKSJCCUXKFSJHR-IBGZPJMESA-N	406.507	5.081	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cccc4ccccc34)n2)cc1	920144005	VWLBYOISMAZKJS-HXUWFJFHSA-N	414.486	5.227	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1	1787389343	DVSYQUOLCTYFFV-UHFFFAOYSA-N	420.553	5.437	30	20	HKED	
CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)CC1	1789115145	OHYKONMEVGZDCQ-HXUWFJFHSA-N	413.521	5.052	30	20	HKED	
CCCCC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1	1789578189	DFCLLJKFGXEERF-OJWZXOLNSA-N	423.557	5.049	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1	1831371621	XDUARHCHYPHNMO-NLFFAJNJSA-N	418.581	5.285	30	20	HKED	
C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccc(F)cc1	10498323	KGFIZBCWZCEDPT-UHFFFAOYSA-N	415.362	5.258	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(F)cc2F)c1	11250046	RBYUSGBBGIFAQQ-UHFFFAOYSA-O	417.526	5.290	30	20	HKED	
COc1ccc(-c2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)cs2)cc1	24284868	WDEUSPYRZOBMNZ-UHFFFAOYSA-N	421.469	5.705	30	20	HKED	
C=CCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(Cl)s1	24898180	BWKZUZHVPJAABN-UHFFFAOYSA-N	403.762	5.725	30	20	HKED	
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1sc2c(c1C#N)CCCC2	60749547	CPRWJIGNSVZILR-UHFFFAOYSA-N	424.551	5.043	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1	61576553	ZMJQYCMGBLBOPQ-UHFFFAOYSA-N	403.482	5.411	30	20	HKED	
Cc1cccc(C)c1Oc1ccccc1NCC(=O)Nc1ccccc1SCC#N	63469567	GZQKMMUIDSWXOY-UHFFFAOYSA-N	417.534	5.762	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2Br)cc1	65680212	VAQBBFNTJJUTLN-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2ccnc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	195556901	DFSSRNKPTHEEGH-GOSISDBHSA-N	404.882	5.139	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OCCC(C)C)CC1	195636134	DUDKKEHNBXEJTN-UHFFFAOYSA-N	421.541	5.718	30	20	HKED	
C=CCc1cc(CN[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc(OC)c1O	237357262	OWNSUCHKJGAFLX-XMMPIXPASA-N	407.485	5.156	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl	409628787	FNZOJCNFDBSIPG-UHFFFAOYSA-N	408.889	5.091	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sccc1SC	409780791	BYWWNDJHTYDNOR-UHFFFAOYSA-N	400.338	5.200	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2cccc(Cl)c2)CC1	432097630	WQHLZMLMUBHJQN-MRXNPFEDSA-N	411.958	5.913	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(F)(c4ccccc4)CC3)s2)cc1	432899382	VPZIDDXOQTVBHR-UHFFFAOYSA-N	420.513	5.098	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1OCCc2sccc21	433139937	ZAYFWHYLKZRGNW-NYHFZMIOSA-N	419.506	5.236	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Nc1ccccc1SC[C@H](C)C#N	434159521	LLIROLDSLKJXTC-SJLPKXTDSA-N	419.554	5.697	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1	437585061	ZRWPFZMXPNIVEP-INIZCTEOSA-N	419.912	6.112	30	20	HKED	
Cc1cccc2oc(CCNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)nc12	438065417	MTNYJEKXOKHMHW-UHFFFAOYSA-N	412.449	5.164	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	439296882	NIGHAVMCWDGFJE-DEOSSOPVSA-N	424.504	5.498	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1Cl)c1cccc(NC(=O)Cc2ccccc2F)c1	439429938	HESNBTFYMHOZIQ-INIZCTEOSA-N	421.903	5.383	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)c(Cl)c1F	444293350	SURDTUHZHIJWTI-HOCLYGCPSA-N	421.697	5.154	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	446229504	UNWXJSHGWQAONT-HXUWFJFHSA-N	419.447	5.430	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N(Cc1cccs1)Cc1cccs1	460958665	HXMHECGROZXWRE-UHFFFAOYSA-N	421.595	5.170	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1	461988179	SNYXZBSRXFSVSK-UHFFFAOYSA-N	424.913	5.192	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)sc1-c1ccc(F)cc1	464473263	RIRZGKXPZWTDKR-OAHLLOKOSA-N	404.388	5.767	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(Oc2ccccn2)c1	464900774	YNBLFZVRQJGAIW-UHFFFAOYSA-N	423.497	6.149	30	20	HKED	
Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	465249294	FBISALDKUKYSCY-CQSZACIVSA-N	405.470	5.312	30	20	HKED	
CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12	469765134	SNTXRCVDPJXQGM-KSFYIVLOSA-N	409.917	5.104	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	470496659	ZLAYBUNZXSIMTC-IBGZPJMESA-N	401.510	5.216	30	20	HKED	
C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	470825386	KWVACKXAHJMSDJ-DYESRHJHSA-N	413.452	5.049	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Cl)c1	471821329	KQUUQCUZSNZSNS-HNNXBMFYSA-N	402.947	6.165	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	471829588	DKEDHSKDEMJQPK-IBGZPJMESA-N	401.514	5.115	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C/C=C\c2ccc(F)cc2)cc1	474301271	GZMIDFIMVOGBDJ-ARJAWSKDSA-N	400.453	5.513	30	20	HKED	
CN(C)CCc1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N	474637963	UNTUFVCMYKIQHV-UHFFFAOYSA-N	401.535	5.066	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CC(c4nc5ccccc5s4)C3)c2)cc1	477699166	GQQKWIDVBSRJSX-UHFFFAOYSA-N	410.502	5.151	30	20	HKED	
CCOc1cc(Br)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	479311719	GFRNFADSUQGINI-UHFFFAOYSA-N	416.319	5.162	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482328299	QIWYKWKDPXUXOS-WDEREUQCSA-N	410.280	5.339	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2)cc1	483198490	QNYVLGIXJTXXIX-XMMPIXPASA-N	406.441	5.720	30	20	HKED	
N#C[C@@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2ccccc2s1	483445913	WFYBCDXAGWOHQX-NSHDSACASA-N	410.549	5.058	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	484169857	AZJUZOLHZVGHMI-MGPUTAFESA-N	421.932	6.115	30	20	HKED	
N#CCn1c(/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)nc2ccccc21	486101476	FYCYRNYSLLSWBN-SEYXRHQNSA-N	416.488	5.037	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc(F)c(Br)cc1Cl)c1ccccc1	487618231	PDDKRUDZEKLKIF-KRWDZBQOSA-N	409.686	5.407	30	20	HKED	
CC(C)Oc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	497353920	WXZVIEPBJUFXQH-UHFFFAOYSA-N	402.519	5.427	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(CSc2nccn2C)c1	501680829	HAYYWMBLEGOCES-UHFFFAOYSA-N	417.987	5.256	30	20	HKED	
CC[C@H](CSc1ccccc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	501712049	UKYKIZWZFOHXCV-LJQANCHMSA-N	403.507	5.046	30	20	HKED	
CCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(OCCCC#N)c1	502619152	MBEMWYXVEDLXAC-UHFFFAOYSA-N	407.392	5.431	30	20	HKED	
N#Cc1ccc(C(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1	504380424	CWJUMICGFOVACP-UHFFFAOYSA-N	405.479	5.344	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2	504849638	XKVIZJHZFFKGTI-UHFFFAOYSA-N	403.448	5.175	30	20	HKED	
CCN(CCc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	508280540	QMDSNDLIZZJKLA-UHFFFAOYSA-N	421.522	5.517	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1	510355244	ANSXALLMKPKAKQ-UHFFFAOYSA-N	402.306	5.655	30	20	HKED	
CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	511728444	GGLQOZHWYZJAPJ-HXUWFJFHSA-N	417.534	5.172	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(Cl)ccc4o3)n2)cc1	512508747	JOUPEJKGYVBRLF-MRXNPFEDSA-N	408.866	5.708	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(COc2ccccc2C#N)c1	513414820	PIYRCGLTOFYZAF-UHFFFAOYSA-N	422.431	5.011	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)c1	513691465	CZIJBTRLGJYTIT-SFHVURJKSA-N	411.486	5.347	30	20	HKED	
CCc1cccc(CC)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513962951	IGKPIYBLFVDGIN-UHFFFAOYSA-N	415.512	6.056	30	20	HKED	
C=CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(Cl)s1	518230612	HFPYNGQKOCISKG-UHFFFAOYSA-N	403.891	5.195	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC1CCCC1	519515335	CQKYQAUJZYLEQC-MRXNPFEDSA-N	410.539	5.663	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1	520178787	ZPXYDHUCLYDYHP-AWEZNQCLSA-N	405.420	5.589	30	20	HKED	
CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	520480205	ZRDGJTFLOBQJEB-UHFFFAOYSA-N	408.502	5.187	30	20	HKED	
CCC(CC)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccs1	521952172	IGPPAOMPIYGFSE-QFIPXVFZSA-N	405.523	5.714	30	20	HKED	
Cc1ccccc1-c1csc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n1	524384638	LNIJDDRBKCXHIQ-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(-c4ccncc4)cc3)cc2)cc1	525348232	PUELOSZFCXQMPH-UHFFFAOYSA-N	420.472	5.734	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)c2)cc1	525561618	NPFNHCQXFPTBFB-FYYLOGMGSA-N	418.443	5.352	30	20	HKED	
CCN(CCc1nccs1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534155935	PAXSGMDBFBKHMU-UHFFFAOYSA-N	411.914	5.165	30	20	HKED	
Cc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1NC(=O)c1cccs1	535435314	HOWOJTPWBJFEIF-FQEVSTJZSA-N	403.507	5.084	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4cccnc4)s3)n2)cc1	536441066	BOFNVZFQWPEQHE-MRXNPFEDSA-N	402.504	5.127	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1ccccn1)C(C)C)c1ccc(C(F)(F)F)cc1	536651977	CQSDZEAOHZFICE-HXUWFJFHSA-N	405.464	5.728	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1	536689740	AMVCSLXVUMCUBJ-GFCCVEGCSA-N	403.429	5.691	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2nc(C)c(SCC#N)s2)c1	538956841	ZBQAVZZWBVNMNB-UHFFFAOYSA-N	409.536	5.385	30	20	HKED	
COCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541063283	CZNJYVAESYUZMN-SFHVURJKSA-N	415.493	5.133	30	20	HKED	
N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(Cl)c3SCC(F)F)n2)c1	542184145	LVWXYIIAEBIASQ-UHFFFAOYSA-N	418.856	5.007	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C2CC2)cc1	543280835	YMNQFIJNQDAYFF-UHFFFAOYSA-N	410.477	5.007	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Br)ccc1F	561407014	BSNLWJGIHBLLAY-GFCCVEGCSA-N	422.323	5.304	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OC2CCCCC2)CC1	562043053	GIEIDDXSDWPHKR-UHFFFAOYSA-N	411.464	5.224	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1ccc(OC)cc1	567651882	JRFBWOIWMYAMHX-JOCHJYFZSA-N	411.509	5.029	30	20	HKED	
C[C@@H](Nc1ccc(C#N)cc1Br)[C@H](OC1CCOCC1)c1ccccc1	573052051	LAVNCVDPFYMBJB-VFNWGFHPSA-N	415.331	5.058	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	580680565	KJILIFVXEMSEMV-GOSISDBHSA-N	413.403	5.058	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc2c1ccn2C	588955627	AFBVOVOFRNTXNH-UHFFFAOYSA-N	416.294	5.300	30	20	HKED	
Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c2ccccc2n1	590612850	PKNJWEROXWIWTO-UHFFFAOYSA-N	419.554	5.074	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	591840378	ASQDQYIWMFBSDP-JTQLQIEISA-N	408.317	5.844	30	20	HKED	
CCn1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc(-c3ccccc3)nc21	603527090	BRQSKNSGBLDMFN-UHFFFAOYSA-N	423.520	5.041	30	20	HKED	
N#CCCN(C(=O)CN1CCC[C@H]1c1ccccc1Cl)c1cccc(Cl)c1	603857045	OXMMKEVVBWBILY-FQEVSTJZSA-N	402.325	5.077	30	20	HKED	
N#CCN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccccc1	609020879	USCSUSYCAFAFAP-UHFFFAOYSA-N	412.424	5.077	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cccnc2SCc2ccc(F)cc2)c1C#N	609032642	XUZYJTVGXWXXQO-UHFFFAOYSA-N	411.527	5.569	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	609173070	LAKVWGCZBBGQIO-NTKDMRAZSA-N	416.546	5.268	30	20	HKED	
C[C@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(C(F)(F)F)cc1	609185687	LSJYAOSIYWJRHT-MRXNPFEDSA-N	416.443	5.141	30	20	HKED	
C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609378478	KSLALVBCMVESLO-CQSZACIVSA-N	408.445	5.255	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN1CC1CCCCC1	609452035	HIKAEKJGTQKANW-AZUAARDMSA-N	414.619	5.247	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609497763	HZVMNZSAEJJANG-QGZVFWFLSA-N	416.477	5.053	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1	609556685	RCWJSCNVSFGDNI-XTWGIRIWSA-N	421.541	5.096	30	20	HKED	
C[C@@H](SCc1nnc(-c2ccccc2Br)o1)c1ccc(C#N)cc1	609825526	CLFRMSQDUWOLBD-GFCCVEGCSA-N	400.301	5.365	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCN(C3CCCC3)CC2)c1	609997363	MGMMZAJGEYQQQJ-UHFFFAOYSA-N	423.944	5.094	30	20	HKED	
C[C@@H](NC(=O)NCc1ccccc1COc1ccccc1Cl)c1cccc(C#N)c1	610356527	UILWWSYBNYDJSP-QGZVFWFLSA-N	419.912	5.351	30	20	HKED	
C[C@H](NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cccc(C#N)c1	610362791	HGSCGMNBHCTHBV-OYHNWAKOSA-N	408.860	5.348	30	20	HKED	
N#Cc1ccc(CNCc2csc(COc3ccc(Cl)cc3)n2)cc1Cl	619748725	RWPRMOBIEUEGDV-UHFFFAOYSA-N	404.322	5.190	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(F)c1	645071442	YKRNIYRYRPMPNA-RKDXNWHRSA-N	423.275	5.066	30	20	HKED	
C=CCn1c(SCc2nc(C3CCC3)no2)nnc1-c1ccc(Cl)cc1Cl	680693484	GMSNTGNZLJOLRQ-UHFFFAOYSA-N	422.341	5.381	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)CCCCC2=O)c1nc(-c2ccc(Cl)cc2)cs1	685784676	XZMUOKJSXVAZDB-LJQANCHMSA-N	420.921	5.863	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2cccc(COCc3ccco3)c2)cc1Cl	726460414	ASWGTRLMUCIWLQ-UHFFFAOYSA-N	411.914	5.008	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	727233995	XEHPAMFGETUGPS-PWSUYJOCSA-N	424.831	5.612	30	20	HKED	
C/C(=C\C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(C(F)(F)F)cc1	729418119	XCCKRQNCPZBXBI-DTQAZKPQSA-N	414.427	5.050	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3cc(=O)oc4cc5c(cc34)CCC5)c2)cc1	729676934	VFLNGFXLZFPVJM-UHFFFAOYSA-N	408.457	5.558	30	20	HKED	
N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730416690	GRVZRAQCBABKMC-LJQANCHMSA-N	416.477	5.418	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)c1	730479179	RUKUSZRKGYTMOV-NRFANRHFSA-N	410.832	5.140	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C[C@H](C)C1CCCCC1	731079370	ZPNAYLPWPZCPJR-IRXDYDNUSA-N	402.560	5.027	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12	731332487	MLFBFUXNCRAONR-KRWDZBQOSA-N	424.529	5.943	30	20	HKED	
FC(F)Oc1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1Cl	731486107	NPJUDXRTRVDOCB-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H](O)c3ccc4ccccc4c3)cc2)c1	731542100	SZIAQMJIVYHWBX-VWLOTQADSA-N	423.472	5.359	30	20	HKED	
N#C[C@H](NC(=O)COc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1	731645665	PPKARBMTRPYAJM-AWEZNQCLSA-N	404.080	5.060	30	20	HKED	
CCc1nc([C@@H](C)/N=C/c2cc(Br)cc(Br)c2O)cs1	731938648	WDARIGJRXHTESF-WTEYRUJWSA-N	418.154	5.116	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3SC(F)(F)F)cc2)nc1	731973058	VZSRHHJCWBPADO-UHFFFAOYSA-N	415.396	5.610	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1OC	733616324	QNWMXGPYTXYUHY-JOCHJYFZSA-N	415.493	5.365	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CSc2ccc3c4c(cccc24)CC3)c1	733771485	SVGNSDIFSCDJQZ-FQEVSTJZSA-N	416.546	5.028	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](CC2CCCCC2)C(C)C)ccc1OC	734327516	ZFAITECURLTTON-LEWJYISDSA-N	400.563	5.235	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(F)c2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	734706800	XMIAAQKBXULSHK-AWEZNQCLSA-N	404.388	5.362	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1C	734996011	BGBOBQROHHUKBV-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)o1	735232591	QEJDJBCOKJVWRT-BJMVGYQFSA-N	420.408	5.287	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1C	739594896	ACIFPQRJADJPMY-UHFFFAOYSA-N	402.519	5.183	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1	740533975	AYEAFXJNWCAADW-GOSISDBHSA-N	405.479	5.181	30	20	HKED	
C#CCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1	743689835	FBDVFESTVJYRQF-UHFFFAOYSA-N	406.473	5.166	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(-c2ccccc2)ns1	747203581	BDYQYKRBIRFQNB-HNNXBMFYSA-N	416.289	5.078	30	20	HKED	
O=C(/C=C\c1cccc(-c2ccccn2)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	747692478	HJTLUWUKVPZMRE-WJDWOHSUSA-N	417.530	5.361	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)s1	750684220	NPQBNQWKDLAMIA-ZBFHGGJFSA-N	424.909	5.645	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCOCC1	756516520	UGUPTRUSBHNJSE-ABAIWWIYSA-N	409.338	5.356	30	20	HKED	
Cc1nc2sccn2c1C=NO[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	757621209	AFKYCTKWUAVHFT-SNVBAGLBSA-N	422.297	5.173	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccccn1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	759217996	OYCBULWRJKKUNV-BSFBHTCNSA-N	405.567	5.205	30	20	HKED	
CSc1ccc2cc(CN3C(=O)CS/C3=C/C(=O)C(C)(C)C)c(Cl)nc2c1	760421012	OJINXNAOMGJLPM-GIJQJNRQSA-N	420.987	5.142	30	20	HKED	
CCN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)[C@@H](C)c1ccc(C#N)cc1	772221454	HBHJXQPMFLTUND-KRWDZBQOSA-N	407.514	5.057	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Oc3ccccc3)cn2)cc1	773231553	NPEVLRHXXKOVMP-QFIPXVFZSA-N	406.445	5.177	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1	774039166	VYBAOBWDXJJZKN-KRWDZBQOSA-N	412.411	5.522	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(CC)C[C@H](CC)c2ccccc2)c1=S	774698122	ACBNLZLYAOIVQE-IBGZPJMESA-N	407.587	5.135	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCCCC1)c1nc2ccccc2n1C(F)F	779193056	DWPXCZGQZQUPQN-QGZVFWFLSA-N	411.427	5.649	30	20	HKED	
CCCOc1c(Br)cc(CNc2cccc(OCC#N)c2)cc1OCC	779589202	YZRFNXRNJHTQER-UHFFFAOYSA-N	419.319	5.151	30	20	HKED	
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@@H](C)C#N)c1	780169548	LTHOVSJNCLZVPS-IBGZPJMESA-N	422.488	5.391	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](c1cccc2ccccc12)C(F)(F)F	781349460	UYGIPHCJUUUOBB-FQEVSTJZSA-N	404.819	5.789	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782779481	ZSLFLIDKTDUWPK-RBUKOAKNSA-N	411.505	5.594	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1	788572906	VHJBZDHFSNAKIX-RLWLMLJZSA-N	424.548	5.380	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	790624393	ZKURBPJZHRQEDW-AOMKIAJQSA-N	418.459	5.254	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3ccc(N4CCc5sccc5C4)cc3)CC2)cc1	796919192	TYRCEQXFAXBOLS-UHFFFAOYSA-N	414.578	5.263	30	20	HKED	
COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F	797614901	GGBLHDIYMYSXQR-INIZCTEOSA-N	414.889	5.420	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1	806400896	LFFKJQNIYAYTRW-RDJZCZTQSA-N	417.431	5.408	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1sccc1C)C(=O)c1ccccc1	810238732	MAAIQAUIQNULSY-PGMHBOJBSA-N	403.547	6.086	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1cc(Cl)cc(Cl)c1	815909652	FHAAAOPMZKXDNU-CQSZACIVSA-N	420.683	5.018	30	20	HKED	
N#Cc1cccc(/C=C(/Cl)c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)c1	834790386	PKFBCCYENBKBNT-CXUHLZMHSA-N	407.857	5.399	30	20	HKED	
COc1ccc(SCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915179733	HGEXQXBNYSEYDZ-QHCPKHFHSA-N	402.519	5.472	30	20	HKED	
Cc1cc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)c(C)n1Cc1cccs1	916230099	KZMWSFLHYVLIRI-FCQUAONHSA-N	408.596	5.154	30	20	HKED	
CC(C)c1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916888208	TUQPZEUVKYWSKR-LJQANCHMSA-N	416.493	5.405	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccccc1[C@@H](C)CC	916906884	KSUZBMGSHVQVTK-UWJYYQICSA-N	406.526	5.051	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc3ccccc3o2)cc(Br)c1OC(F)F	917143692	NIMGJXNNZJGXLM-VOTSOKGWSA-N	423.209	5.701	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1)C(F)(F)F	1791301852	AVBDNVVUWAUOGQ-UHFFFAOYSA-N	408.464	5.209	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1	1792170961	BOTSSMQNPWACNI-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCCCC(C)(C)C)CC2)C1	1823703185	RVBOQNKITCKBQE-QHCPKHFHSA-N	416.650	5.569	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2C)CC1	1824140822	MGZIUZIITLVDQD-NRFANRHFSA-N	414.615	5.058	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1824144010	YQVATTIRIPXYHA-QHCPKHFHSA-N	400.607	5.121	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1	1831373495	DNYJQKHAKFMAMZ-YADARESESA-N	408.586	5.010	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccccc2Cl)o1	32788985	CNNQCVDZUAOVGH-UHFFFAOYSA-N	423.929	5.051	30	20	HKED	
CC(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n(C)c1	51285141	ZXCOJQUVKROMCG-AWEZNQCLSA-N	418.305	5.148	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c12	54736873	DKRQEJNUSXQAGE-MRXNPFEDSA-N	413.481	5.003	30	20	HKED	
CCOc1ccc2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)[nH]c2c1	57090521	BZYSGKBXJBMNNI-UHFFFAOYSA-N	412.449	5.186	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1occc1CSc1ccccc1	97090741	NNQXANDDOAQTIJ-UHFFFAOYSA-N	410.498	5.619	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(-c2ccccc2)oc1C	106116282	BVDFAUWMEXYNSU-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2[nH]c(C(F)F)nc2c1	110643596	NBCZPPDKEWAVIS-UHFFFAOYSA-N	423.263	5.790	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1	140531851	OUHGRYFRIFUPLJ-UHFFFAOYSA-N	404.857	5.302	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(Cc2ccccc2C)CC1	410333823	VINYJOASBJKABA-UHFFFAOYSA-N	418.006	5.072	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(COC3CCOCC3)c2)sc2c1CCCCCC2	429002151	BOHQRRSGRHOCQX-UHFFFAOYSA-N	424.566	5.227	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)c1	429058780	IWSPYAWVYIPDOI-QFIPXVFZSA-N	422.916	5.338	30	20	HKED	
COc1cc(Cl)c(Br)cc1C(=O)[C@@H](C#N)c1nccc2ccccc12	429204161	OSUWCVDWVKJEJR-AWEZNQCLSA-N	415.674	5.149	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)s1	430595754	IETNTFXXGGVYFK-CYBMUJFWSA-N	418.444	5.135	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOC[C@@H]1c1ccccc1	437838626	LLLIKQZFHDWAIV-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C	438447851	WDCGMUUKJMNIJE-RCZVLFRGSA-N	422.569	5.263	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	440331115	ZOBIYSQSTISXIA-NQIIRXRSSA-N	421.566	5.082	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc12	442667768	AHPGCUQZGVUMIZ-GFCCVEGCSA-N	414.943	5.511	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nc2ccccc2o1	444455070	RLYBXQKCROFGLG-CYBMUJFWSA-N	412.323	5.476	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1	447783950	WXWDBXCAKHFQPM-NSHDSACASA-N	418.437	5.040	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)cc1	460149648	IMLYGXZBMCUOBV-LEWJYISDSA-N	415.320	5.039	30	20	HKED	
CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1	461293032	MVGPPRZBAFUJKY-IBGZPJMESA-N	423.611	5.039	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])nc1-c1ccccc1	462108401	AALGJGHQLOSXEH-LJQANCHMSA-N	402.454	5.586	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Oc4ccccc4)ccn3)s2)cc1	465025551	XDAARKCWFDSPBP-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CCC(F)(F)F	465242312	MMKYLARWPXIKEZ-UHFFFAOYSA-N	407.392	5.310	30	20	HKED	
COC(C)(C)C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	466104168	XYTVEJSENVOOJU-AWEZNQCLSA-N	401.894	5.329	30	20	HKED	
COc1ccc(-c2cncc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c2)cc1	466424443	HYTDOTKNFLBBSP-UHFFFAOYSA-N	409.445	5.069	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2cc(O)nc3ccc(F)cc23)C(C)(C)C)cc1	467911285	UVRYIZAQBSLXIN-UHFFFAOYSA-N	408.473	5.085	30	20	HKED	
C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cn1)c1ccc(-c2cccc(C#N)c2)cc1	469480544	WCJYTWGTYLVZMA-INIZCTEOSA-N	417.896	5.114	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccccc1C(F)(F)F	470206474	KKXMLALSDVXOTL-UHFFFAOYSA-N	413.264	5.620	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)cc1	470582680	KXFVFJCRKRHWFK-WIYYLYMNSA-N	400.478	5.057	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)c1	471898841	ADLITUNBDUNKKN-NHCUHLMSSA-N	422.912	5.368	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccccc2C#N)o1	476168593	XIIBFYVALGXLIX-UHFFFAOYSA-N	400.478	5.834	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)csc1Br	476545811	WTHIZDXZXRPCGW-NSHDSACASA-N	404.116	5.121	30	20	HKED	
CCN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H](C)c1ccc(F)cc1	479170081	UCFBDKUTDDVHQW-PPNDLDFTSA-N	409.505	5.180	30	20	HKED	
Cn1cc(CNc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)cc1C#N	480270273	YWKFNGKWPZXDKN-UHFFFAOYSA-N	401.923	5.104	30	20	HKED	
CCS[C@H]1CCCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	480325538	DIJQYSCDWGRALM-FQEVSTJZSA-N	410.608	5.598	30	20	HKED	
C=C(C)[C@H](NCc1csc(-c2ccc(OC)cc2OC)n1)c1ccc(F)c(F)c1	481579877	QPXMKGFIVLGLLW-NRFANRHFSA-N	416.493	5.513	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nccc4ccccc34)c2)no1	483230003	FQDKCQMHGNAPBF-HXUWFJFHSA-N	410.477	5.363	30	20	HKED	
Cc1csc(N(CC(F)(F)F)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1	483345163	CAXOLVLOUDUNKM-UHFFFAOYSA-N	417.412	5.325	30	20	HKED	
Cc1onc(-c2ccccn2)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	483452957	YYHHFPIVQROSER-HNNXBMFYSA-N	420.881	5.312	30	20	HKED	
CC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cc(F)cc(Br)c1	485637612	PGFSHWDSSWYBPI-SFHVURJKSA-N	401.279	5.024	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	486911985	OOKQBXJOLLNKRD-SJCJKPOMSA-N	411.424	5.503	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccco1	487464535	RIUBBJGFJOOMGH-UHFFFAOYSA-N	415.518	5.131	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cc(F)c(F)cc1F	487597760	AFAQPVLCFCUNMF-UHFFFAOYSA-N	410.395	5.044	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1	488241851	MINJVJKOAPNMSS-UHFFFAOYSA-N	404.395	5.299	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	488289102	AQSAOJVPKUPYNL-RDTXWAMCSA-N	403.935	5.101	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1)c1ccccc1	488688784	UIVSFZCJONDKSL-QFIPXVFZSA-N	402.494	5.358	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCO[C@H]3c3ccccc3)cc2)c1	489826462	DRNAGLUIMUZQES-YKSBVNFPSA-N	413.477	5.250	30	20	HKED	
CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	492515069	KNVGDGJFBQSHTD-UHFFFAOYSA-N	411.914	5.055	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1	494699223	ZFLGSKKNPGJRTD-HNNXBMFYSA-N	420.513	5.179	30	20	HKED	
Cc1cc(N2CCSCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	498007851	QTESSOXFIZRBKZ-UHFFFAOYSA-N	422.598	5.110	30	20	HKED	
CSc1cc(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)ccc1NC(C)=O	499483117	ASMQUQSJKGILHB-UHFFFAOYSA-N	424.469	5.232	30	20	HKED	
CCCOc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1	499805900	XIIBLIDOFWBQNW-GOSISDBHSA-N	419.308	5.126	30	20	HKED	
Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2ccc(F)cc12	501423683	PXAXPEGIFYSHTA-UHFFFAOYSA-N	414.436	5.778	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1C#N	504168439	ZCUCGJPBBPNBAQ-RTBURBONSA-N	401.535	5.013	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2sccc2C)cc1	508296541	DFJJSLVBYCWVBD-UHFFFAOYSA-N	407.495	5.393	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C	510496559	NQLFTNPOFGRDBP-GJZGRUSLSA-N	409.917	5.176	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	511776445	KISTWQDJDDIKAB-UHFFFAOYSA-N	413.477	5.085	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1OC(F)F	513103179	RQECKNPVNSMOEP-INIZCTEOSA-N	422.431	5.230	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c1	517646347	WBNJIBMJEFQGSZ-LJQANCHMSA-N	417.509	5.041	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	517842439	AJCZNEXJSJSUTB-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
COCCn1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc21	517847607	TUQRWTIABGZIIP-UHFFFAOYSA-N	411.461	5.204	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3c(s2)CCCCC3)cc1	522392340	DTEKFPKVWNJYSQ-UHFFFAOYSA-N	419.575	5.828	30	20	HKED	
N#Cc1ccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc1C#N	525351167	NCBYTNZRFRFZOK-UHFFFAOYSA-N	406.470	5.473	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21	533487557	FOXDGDKSRBDQOE-JTSKRJEESA-N	405.567	5.171	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1Cl	534890231	NWUQZGMYBCZJHB-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)cc2)cc1	537890707	KYHBXHHAPFRLMA-RDGATRHJSA-N	412.489	5.053	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	541285012	UQRQXUYVAVGEQI-LBPRGKRZSA-N	421.931	5.373	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cc(C#N)ccc2C)c1	542401294	DWJULYDTRNOVFG-UKILVPOCSA-N	411.505	5.638	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	543491288	KJQOIONAXNAGKZ-UHFFFAOYSA-N	402.498	5.010	30	20	HKED	
CO[C@H](c1ccc(F)cc1)c1noc(-c2cccc(COc3cccc(C#N)c3)c2)n1	545801199	DOHQMZBPAWSINP-JOCHJYFZSA-N	415.424	5.062	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(F)cc(Br)c1	553071702	WETICMLSGIHTFR-GFCCVEGCSA-N	422.323	5.162	30	20	HKED	
C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Br)cc1Br	556598329	LADSIKPLKZDYCP-LBPRGKRZSA-N	420.148	5.423	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1	557726403	DIJWQDQVJQBHTP-IBGZPJMESA-N	415.562	5.722	30	20	HKED	
N#CC1(CCC[S@](=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1	559228091	UGAJUKGWABLPGB-ZBLYBZFDSA-N	401.959	5.279	30	20	HKED	
CC(C)(c1cccc(C(F)(F)F)c1)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1	560049832	UXLYEVRVYAMTJU-MRXNPFEDSA-N	410.399	5.136	30	20	HKED	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	562133171	ZHARDPYGVAMUML-VQIMIIECSA-N	424.932	5.094	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12	578552093	CGXKXBSQOYEPRP-HSZRJFAPSA-N	409.530	5.058	30	20	HKED	
N#CCCN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	578566328	LOIUENZAUSWLAJ-UHFFFAOYSA-N	421.419	5.334	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(C#N)ccc2Cl)n1	578913306	OHCIIHFTCBAZLX-UHFFFAOYSA-N	415.280	5.366	30	20	HKED	
Cn1ccnc1Sc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	590655515	GQAXMELWPFPAJZ-UHFFFAOYSA-N	410.502	5.362	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(C)C)cc1	603705758	SXPUHADOWJXMJF-QVKFZJNVSA-N	411.933	5.177	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2coc(Br)c2)cc1Cl	603766061	LPKWBUUISPZLDW-MRXNPFEDSA-N	415.674	5.603	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3sc4cc(Cl)ccc4c3Cl)[nH]c12	605363642	UNZFSPBBPSWHSK-LBPRGKRZSA-N	400.290	5.883	30	20	HKED	
CC[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1F	607252354	WEWMXNPFSNGFJT-RULNRJAQSA-N	418.328	5.188	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H]1c1cc(F)ccc1F	607464181	PRAPHGBJPLOUNB-LGYAQJSQSA-N	415.324	5.094	30	20	HKED	
Cc1c(Br)cccc1NC(=O)c1occc1COc1cccc(C#N)c1	608872162	NDMJTVGVTBENQS-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	609078303	WYHZSCYUBBTJQW-HXUWFJFHSA-N	409.942	6.029	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1	609081109	VAGFRZFYTOWVHJ-UHFFFAOYSA-N	410.424	5.052	30	20	HKED	
C[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)C1CCCC1	609164433	OEFCDVBPEBRZEY-IERDGZPVSA-N	423.944	5.019	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1cccc(CSCc2ccccc2)c1	609696558	GKLIFJHHQJITLQ-UHFFFAOYSA-N	418.518	5.018	30	20	HKED	
COc1ccc(COCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	609855775	CYLVZWJGTSIURG-UHFFFAOYSA-N	416.477	5.213	30	20	HKED	
CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	609989956	BDYAWCWDDCJYFT-UHFFFAOYSA-N	412.493	5.082	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccccc1Sc1ccccc1C#N	611549752	ZDKMCRWAUZBJMP-ZBFHGGJFSA-N	404.457	5.512	30	20	HKED	
N#C[C@H](C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)c1ccccn1	613296446	FMBMJFVEIPLKES-KRWDZBQOSA-N	413.329	6.171	30	20	HKED	
Fc1cc(Br)ccc1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618450006	KFIYQRWKDJLOED-NXEZZACHSA-N	408.155	5.151	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	618742548	MUXOYPVCRMRQKW-NRFANRHFSA-N	403.413	5.175	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1	670194764	XUCJRHFACJREKF-GOSISDBHSA-N	417.513	5.256	30	20	HKED	
O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(Cl)c(C(F)(F)F)c1	727253791	JFWVYXAVXPCERD-UHFFFAOYSA-N	402.759	5.142	30	20	HKED	
COCCOc1cccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1	727685271	HAUMYZDCVOPQOL-GHRIWEEISA-N	409.482	5.187	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc2ccccc2n1C(F)F	728765784	RNNGSSKESYQVCL-UONOGXRCSA-N	407.342	5.344	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2noc(-c3cccs3)n2)cc1OCC	731445709	VCTRLXFACQFTCQ-UHFFFAOYSA-N	421.906	5.190	30	20	HKED	
CCCc1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731962987	YBSFPMHQHVMZEX-DEOSSOPVSA-N	404.535	5.051	30	20	HKED	
N#CCOc1ccc(COC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	733494382	ABFLFWSMJVNLRI-RPBOFIJWSA-N	413.473	5.015	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1	735171376	AKJBDHYEIWJNND-QHCPKHFHSA-N	412.468	5.327	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)c1	744073842	HCCQNXREFKSYMM-INIZCTEOSA-N	416.880	5.003	30	20	HKED	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	747790958	HBRJNPSMFHUVFY-BWKNWUBXSA-N	421.541	5.222	30	20	HKED	
C[C@@H](ON=Cc1ccccc1Br)c1nnc(-c2cccc(Cl)c2)o1	747826184	GNHFUNCEPAPFGF-LLVKDONJSA-N	406.667	5.264	30	20	HKED	
N#C[C@H](COC(=O)c1cnc(-c2ccccc2Cl)s1)Cc1ccc(F)cc1	748007255	HVJUKRSEJMGAMT-CQSZACIVSA-N	400.862	5.142	30	20	HKED	
O=C(Cc1coc2cc(F)ccc12)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	748299430	PFQOMOFNPYZKRP-QWRGUYRKSA-N	411.317	5.140	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1	750684566	RXMTUZHQYVFXJO-OCOPJHETSA-N	407.684	5.398	30	20	HKED	
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	754112094	CLNBGUPLLNGQQV-VBKFSLOCSA-N	414.421	5.004	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)c2)cc1	754395553	NWTFVYOAYUZWCE-YADHBBJMSA-N	417.534	5.092	30	20	HKED	
N#C[C@@H](C(=O)CCn1ccc2cc(Cl)ccc21)c1nc2ccccc2n1C(F)F	759220235	CLCWWOGZHYMKQA-HNNXBMFYSA-N	412.827	5.306	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CN(Cc2ccccc2)Cc2ccccc2)n1	760154893	ZXQHTSRRPIXVIS-OAQYLSRUSA-N	403.551	5.145	30	20	HKED	
N#CCOc1ccc(Cc2nc(-c3ccc(Oc4ccccc4F)c(F)c3)no2)cc1	762236323	WTUIMCXKLQMLNH-UHFFFAOYSA-N	419.387	5.300	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	764755176	DEHPMXPMYYZLTH-LSDHHAIUSA-N	406.404	5.824	30	20	HKED	
CCN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(C#N)c(Cl)c1	774149811	PMKIUUWXSIMQAR-UHFFFAOYSA-N	413.905	5.154	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)C2(c3cccc(Cl)c3)CCCCC2)n1	779198008	BWDNJPZXXFMMKY-INIZCTEOSA-N	416.930	5.052	30	20	HKED	
Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)no1	779596329	GYKKWOGHTYYLQM-FGZHOGPDSA-N	415.497	5.183	30	20	HKED	
CCc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccccc1C	792493080	OPIBJDRGKIJBMV-UHFFFAOYSA-N	403.486	5.070	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CC=C(c3cccc(Cl)c3)CC2)c1=S	794671539	BUMCTGJINDKUOY-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C/C(=O)c1cc(Br)ccc1F	794701112	ITGUVEUNXZFNGE-SOFGYWHQSA-N	420.669	5.027	30	20	HKED	
O=C1/C(=C/c2ccccc2OCc2ccccn2)CCc2nn(-c3ccccc3)cc21	794956775	KJCJGIPRJMBBKM-CAPFRKAQSA-N	407.473	5.059	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)s1	797572353	YHGRZKRAWUXYPG-MTHQAXEFSA-N	410.505	5.766	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)nc1	801796066	DKPWQDGJNMEGKJ-FQEVSTJZSA-N	416.447	5.093	30	20	HKED	
COc1cc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cc(OC)c1OCC(F)F	809158913	YNHDHQZYIWYUGZ-GFHWABCWSA-N	400.421	5.048	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4cccc(Cl)c34)n2)cc1	815921964	YPRIAFBAMOAKGV-MRXNPFEDSA-N	421.909	5.372	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCC2	878074483	ULUAPYYVALMXQY-UHFFFAOYSA-N	424.957	5.348	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cc(-c2cccnc2)on1	915806077	FMVYIMUHVREXLQ-UHFFFAOYSA-N	406.511	5.127	30	20	HKED	
O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1cc2cc(Cl)ccc2o1	916130369	RAZLSXYWMPAAAP-ALCCZGGFSA-N	418.880	5.367	30	20	HKED	
CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccccc1OCC#N	920002539	CDESFEDOPWVSIO-HSZRJFAPSA-N	420.459	5.661	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1	920326328	CETFJNWVUUEFNK-XLIONFOSSA-N	422.531	5.030	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)COc2cccc(C#N)c2)cc1Cl)c1ccccc1	920767747	DFSCQIFIPYVAQE-INIZCTEOSA-N	405.885	5.402	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3noc(C)c3C)CCC2)cc1	1789624057	GAMDSEHDZJBEQB-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
CCCCC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)ON=C(C)C)CCC2)cc1	1791313385	FCBGZUQXONQYSO-MOPGFXCFSA-N	415.578	5.138	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1	1822980048	PUPGVRJOGHHPQD-YADARESESA-N	412.578	5.141	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830254230	XOCNBANZXVGNBN-PKTZIBPZSA-N	400.607	5.121	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832402682	PVVSWEHTPUENHS-ZEQKJWHPSA-N	412.618	5.121	30	20	HKED	
N#Cc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1Cl	15603343	VJPYUTXNUPLWTF-UHFFFAOYSA-N	404.944	5.098	30	20	HKED	
C=CCN(C(=O)c1cc(Cl)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	15606861	MDZBQQPTZNWHCV-UHFFFAOYSA-N	417.849	5.344	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nnc1C1CC1	25349812	OHAQTLBZAWUEKH-UHFFFAOYSA-N	422.501	5.776	30	20	HKED	
Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	32290645	DMMZWCLDVSFYSI-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc2ccccc2n1C(F)F	41557748	OAJQDLXCKBMKDM-IBGZPJMESA-N	417.415	5.500	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)nc(C)n1	41573996	ACWZFQORWHMWGE-FQEVSTJZSA-N	407.926	5.529	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)[C@H](C)c1ccc(C#N)cc1	45500019	OHYPDWICXXIAKU-MRXNPFEDSA-N	403.507	5.095	30	20	HKED	
CCOc1ccc(-c2noc(CSc3nc(C)cc(C(F)(F)F)c3C#N)n2)cc1	46584483	MOAMSQUOLMGZTJ-UHFFFAOYSA-N	420.416	5.022	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1	49723883	SEYKEHLHKSFZBD-UHFFFAOYSA-N	405.479	5.026	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1	55011533	URHCAQUQVPEEPM-CYBMUJFWSA-N	408.976	5.055	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1sc2c(c1C#N)CCC2	66014597	FQZDOHSXKJGKNZ-UHFFFAOYSA-N	405.957	5.508	30	20	HKED	
COc1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1O	208007829	ZMSKACITBSPYAB-LUAWRHEFSA-N	407.853	5.203	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1	237478118	TUAJGPBYPBHOQR-IBGZPJMESA-N	418.512	5.423	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccccc1)c1cccc(Cl)c1	301583173	VMABQZJMPHHDFJ-UHFFFAOYSA-O	402.326	5.332	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CCC(c2ccc(Cl)cc2Cl)CC1	428730729	XCNRDYQWSDOATB-UHFFFAOYSA-N	408.354	5.135	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cc4c(cc3Cl)CCC4=O)c2)c1	429503247	GDTPHCQSVIBMDE-UHFFFAOYSA-N	416.864	5.172	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Oc4cccc(Cl)c4)cc3)nc12	429589514	DPHKOWPNZRVPDL-SFHVURJKSA-N	402.841	5.202	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1	430614296	XWTZJGNXJMYZCP-QGZVFWFLSA-N	411.571	5.049	30	20	HKED	
CN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C(c1ccccc1)c1ccccc1	433015341	WQXFZCHQOXNSQV-VWLOTQADSA-N	411.549	5.259	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CSc4cccc(C#N)c4)nc(O)c23)cc1	435026452	AEKSNUYSQVYUMC-UHFFFAOYSA-N	403.532	5.845	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1F	437485457	LPFXRYVTESUCNU-UHFFFAOYSA-N	406.388	5.230	30	20	HKED	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	439204843	ZLPFBGIBEHGQHL-IBGZPJMESA-N	405.542	5.007	30	20	HKED	
C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nc(-c2ccccc2)cs1	444172157	ADOATUFJFJYEPF-KRWDZBQOSA-N	414.534	5.560	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	460677959	OFTKAYWQAJDLAX-ROUUACIJSA-N	404.297	5.043	30	20	HKED	
CN(C(=O)CCCC#N)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1	464259990	DVHHOMAFZCCLMR-IBGZPJMESA-N	405.723	5.344	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc2ccc(Br)cc2[nH]1	464571675	FLBKMSZYDKADOY-UHFFFAOYSA-N	417.266	5.116	30	20	HKED	
CCO[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1=CCCC1	465076531	WRHNODXQZWRHQB-DEOSSOPVSA-N	404.510	5.176	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2OCC(C)C)cc1C	465451034	GFMLUGYLPOJSBW-UHFFFAOYSA-N	416.525	5.368	30	20	HKED	
C=CCOc1ccccc1CN[C@@H](c1cccc(Br)c1)C1CCOCC1	467406930	REKBRDGXZOHOEC-JOCHJYFZSA-N	416.359	5.271	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cnn(-c2ccccc2)c1	468965035	MCQRISAPLUZIGG-QGZVFWFLSA-N	422.579	5.138	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3cc(-c4ccccc4)ccc3Cl)CCO2)c1	471396989	GJWQJQCUUUHWMP-HSZRJFAPSA-N	417.896	5.484	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cccc2c1OCO2	471827358	QBMZJJYMJYESQH-UHFFFAOYSA-N	422.428	5.011	30	20	HKED	
COc1cccc(C=C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	473824221	OFUHGLIVMHXESU-SFHVURJKSA-N	421.566	5.801	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	474442930	APUQQXGYFJLJBU-NSHDSACASA-N	420.321	6.027	30	20	HKED	
COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	474497933	ZKMFOBFTKPZUJW-JOCHJYFZSA-N	415.493	5.072	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1	475566040	GMEGAHVHOSVOQH-KRWDZBQOSA-N	420.557	5.705	30	20	HKED	
CCc1cnc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	475641560	AGSUGPUGHPXCEX-UHFFFAOYSA-N	420.538	5.014	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C	482588944	RKIPNGACXRQVDA-YPMHNXCESA-N	400.454	5.054	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12	483234255	JWLXRRTUXCYPSK-GOSISDBHSA-N	403.894	5.810	30	20	HKED	
Cc1c([C@@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2ccccc12	484349921	KDDKYQMCFDOVCA-DOTOQJQBSA-N	407.539	5.425	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1	485325601	YRVPJIBRRCMFNL-LJQANCHMSA-N	414.347	5.168	30	20	HKED	
COc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc(Cl)c1OCC(C)C	487563555	HGXGJKBNRDTHKU-HXUWFJFHSA-N	414.933	5.548	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1	487857641	PFTXSBKTDNIPOL-KSSFIOAISA-N	408.468	5.130	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1	489787508	NJZGSIWDMKKQJU-UHFFFAOYSA-N	409.511	5.156	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)c2)c1	491976522	IIAMRHTZDFFMRB-FGZHOGPDSA-N	415.880	5.206	30	20	HKED	
Cc1cnc(-c2ccccc2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[nH]1	494619212	GPQIZIPLOZQSKN-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
C[C@@H]1CCCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496316799	XQYQZJHCZRUSHU-GFCCVEGCSA-N	408.449	5.031	30	20	HKED	
COc1ccc(CSc2nnc(SCc3ccc(C#N)cc3OC)s2)cc1	499316840	OYVPDZPWUFPITJ-UHFFFAOYSA-N	415.565	5.012	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCCC(F)(F)C2)cc1	507839713	CJKGYKNPLMSZNY-HXUWFJFHSA-N	415.459	5.235	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C	510272384	RYRCRVDWHRXJKS-UHFFFAOYSA-N	419.529	5.141	30	20	HKED	
Cc1ccccc1C[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511355337	NGOKZTMCRQABHO-FQEVSTJZSA-N	413.521	5.393	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(Br)c1)c1nc(-c2ccccc2)cs1	511884272	KGWTVZVZFLGYTB-ZDUSSCGKSA-N	417.715	5.716	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)c2ccccc12	515880640	UMYFPJFLNPXGLM-QGZVFWFLSA-N	401.485	5.735	30	20	HKED	
CCO[C@H](c1noc(CCc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F	516115870	GOUBXGDPTZVVDI-IBGZPJMESA-N	419.378	5.010	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OC(F)F)c1nc(-c2c(F)cccc2F)cs1	518870979	OZIIHWVAXJDXMB-LLVKDONJSA-N	406.360	5.180	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1	519913132	IOTFTRAXRQJGHF-KRWDZBQOSA-N	405.523	5.814	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1	520863405	XWLVIYXTRAWSSQ-UHFFFAOYSA-N	421.522	5.086	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2	520954523	LCKODFKUGMVUHS-CQUHBBLWSA-N	415.924	5.607	30	20	HKED	
Cc1ccc(CN(C(=O)CCCCOc2cccc(C#N)c2)c2ccc(F)cc2)o1	521075760	ODOGOMVQSMQBRX-UHFFFAOYSA-N	406.457	5.381	30	20	HKED	
CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1OC(F)F	521165831	DWEVYCOQNKJDBM-HXUWFJFHSA-N	415.484	5.479	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	523788854	PAOALEIZWBXOKC-UHFFFAOYSA-N	419.912	5.812	30	20	HKED	
C=CCCCN(C)C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	524067205	DMOSKEZNTWDDKN-XDJHFCHBSA-N	406.551	5.660	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2F)c1	524457621	RQKOXSARIVPRCH-DLBZAZTESA-N	420.406	5.584	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc3ccsc3c2)cc1Cl	525657780	QSQVFMRIBSXVRW-GOSISDBHSA-N	403.894	5.857	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc([C@H]2CCCO2)s1	534078599	FPWDDLSXTIHVBZ-HXUWFJFHSA-N	419.506	5.006	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc2ccccc2s1	536178751	GZHLIADNBQYOAU-SFHVURJKSA-N	406.470	5.397	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n2)cc1	539299677	SRDZFEDIVSZZCZ-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
Cc1ccc(SC2CCCC2)c(C(=O)Nc2nc(C)c(SCC#N)s2)c1	539547991	YXVPVOIPTOKBLY-UHFFFAOYSA-N	403.598	5.663	30	20	HKED	
C[C@H](NCc1nc(O)c2ccc(Cl)cc2n1)c1ccc(-c2cccc(C#N)c2)cc1	543870511	BLFMVXOOJPNIPO-HNNXBMFYSA-N	414.896	5.378	30	20	HKED	
Cc1cc(C2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CC2)n[nH]1	545449858	JSUPDKHDJTXZLG-UHFFFAOYSA-N	420.900	5.055	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1ccc2c(c1)Cc1ccccc1-2	548953091	FSUUGWRMEZPDKZ-UHFFFAOYSA-N	424.887	5.289	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CCCCC2)no1	554212115	MYIJYTWKZRJZKM-UHFFFAOYSA-N	417.469	5.023	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1	557598818	BUTQJJZCSKNCOE-UHFFFAOYSA-N	408.325	5.105	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1Oc1ccc(C)cc1	558221799	JKJQKKRQUJPUEV-UHFFFAOYSA-N	406.482	5.483	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)n1	564192474	GFVBKNCZLFPKLJ-JTHBVZDNSA-N	415.537	5.571	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccccc1C	571451379	YSFZWTQAOXLZQC-FQEVSTJZSA-N	420.582	5.415	30	20	HKED	
CC(C)(C)c1noc2ncc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)cc12	575904481	ZAMZAJCEHYVYAY-UHFFFAOYSA-N	410.477	5.239	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nc3c(Br)cccc3s2)cc1	577271373	HXHJFWOGYDMGAF-UHFFFAOYSA-N	400.301	5.112	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCC1CC1)c1nc(-c2ccc(Cl)cc2)cs1	587988813	SAJUOLHCOCWVNW-GOSISDBHSA-N	408.910	5.742	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc5cc(F)ccc5s4)cc3c2C1	592974554	UBURCBWBFWRUPW-SJCJKPOMSA-N	403.482	5.532	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	603660285	FZTLUFFFEFWUDE-NSHDSACASA-N	413.346	5.002	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1	603732323	MWWBETKUDFQRLD-UHFFFAOYSA-N	405.504	5.300	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1-c1ccccc1	603739193	YPMJWRLLJSHCNN-UHFFFAOYSA-N	423.476	5.054	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2C#N)C1	603946545	MKABHVWJKIALAN-AWEZNQCLSA-N	417.490	5.041	30	20	HKED	
C=CCCCN(C)C(=O)C(=O)Nc1ccc(COc2cc(C)ccc2C(C)C)cc1	606729345	HWFASRGOCBYGCQ-UHFFFAOYSA-N	408.542	5.061	30	20	HKED	
CN(C(=O)c1oc2ccccc2c1COc1ccccc1)c1ccc(C#N)cc1F	608798671	AJLAFFZCIMVCBR-UHFFFAOYSA-N	400.409	5.299	30	20	HKED	
N#CCc1ccc(NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)cc1	609296958	OBHZZNLYGLBNSA-NRFANRHFSA-N	411.288	5.818	30	20	HKED	
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609451415	HCJDTACINZNCIB-INIZCTEOSA-N	419.456	5.207	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1	609506711	UCNHWYBWJXUSRW-UHFFFAOYSA-N	416.893	5.071	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(-c4nccs4)c3)c2)c1	609642287	LAPSYFATHZUJPV-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)c1cccc(F)c1	609857348	GTTADJASVSFKTN-UHFFFAOYSA-N	402.469	5.501	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cccc(C#N)c1	610322667	YNDNQJFNHYCJDA-HNNXBMFYSA-N	424.932	5.157	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613318742	AWXBGKPYTJDJMM-QGZVFWFLSA-N	419.893	5.917	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCSc1ccnc2cc(Cl)ccc12	618730632	HIFBJEYBMAIHDU-LJQANCHMSA-N	407.926	5.046	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1F	644448778	AHIVKKUTZFSIEY-UHFFFAOYSA-N	416.909	5.045	30	20	HKED	
CC(C)(C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674465034	DJEOSCINRLGATN-TXEJJXNPSA-N	421.303	5.182	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728298743	IITHIJAOGGGGMR-SFHVURJKSA-N	417.484	5.332	30	20	HKED	
Clc1ccc(-c2nc3c(s2)C(=NNc2nncc4ccccc24)CCC3)cc1	728426883	DGSCWIXDGKLDIZ-UHFFFAOYSA-N	405.914	5.559	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccccc2Br)cc1	729176614	JWTWUGNETDKMIJ-HXUWFJFHSA-N	405.295	5.286	30	20	HKED	
Cc1nc(CCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)oc1-c1ccccc1	730395147	BXORVCRIZJLBIO-NRFANRHFSA-N	423.472	5.083	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1	730421638	MXROUTFHBDOSQO-OAHLLOKOSA-N	411.458	5.272	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	731287993	MICVXFABZLCAAN-FHWLQOOXSA-N	423.299	5.598	30	20	HKED	
Cc1c(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)c(C#N)c2n1CCC2	731938881	STTVPCFRADKRQC-MDZDMXLPSA-N	411.292	5.003	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(F)cc2Cl)cc1	733622609	VWJNGNVAIVNYQY-OAQYLSRUSA-N	407.876	5.499	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(COc3ccccc3)c2)c1	733626726	RTPYLJLWTNGZKJ-UHFFFAOYSA-N	401.466	5.592	30	20	HKED	
C[C@@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	734062390	RFFYKNVSVQSNHX-ZJSXRUAMSA-N	419.912	5.025	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccncc1	734660177	MBMTZZIJLBEMII-VGOFRKELSA-N	405.473	5.691	30	20	HKED	
COc1cc(COC(=O)c2ccc3ccccc3n2)ccc1OCc1cccc(C#N)c1	735123352	CGPPCDBWSHORGK-UHFFFAOYSA-N	424.456	5.051	30	20	HKED	
CC[C@H](C)n1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccccc1	735233350	SMNGCLVNUZRMJN-HNNXBMFYSA-N	412.946	5.764	30	20	HKED	
CC(=NNc1nc(C)nc2sc3c(c12)CCCC3)c1c(Cl)nc2ccccn12	737420583	LJISAKGRQLDHOV-UHFFFAOYSA-N	410.934	5.016	30	20	HKED	
CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1c(Cl)nc2ccccn12	737421602	TWBWTWTVICRRFU-UHFFFAOYSA-N	418.913	5.496	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	741638055	GFGOZGLXCSKWCA-UHFFFAOYSA-N	419.378	5.039	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1	742388263	NFFJSTDXIGCFLO-GOSISDBHSA-N	408.546	5.234	30	20	HKED	
C[C@H]1/C(=C/c2ccc(Oc3cnccn3)cc2)C(=O)c2cccc(Br)c21	743055656	IDWNBSASENNPHL-MFVBVHDHSA-N	407.267	5.415	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)cc2)c1	747107329	CKOROLSYRZEGAX-IBGZPJMESA-N	420.852	5.102	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cccc(-c3ccccn3)c2)nc(-c2cccnc2)n1	747750797	XTMQAOQKKLOFQU-UHFFFAOYSA-N	420.398	5.065	30	20	HKED	
CC(=Nn1c(S)nnc1Cc1cccc2ccccc12)c1ccc2ccccc2n1	749812580	OYNYPDREOKYRIA-UHFFFAOYSA-N	409.518	5.131	30	20	HKED	
COc1cc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CCC2)ccc1C	750396178	UROAJLZBGNBMLQ-FQEVSTJZSA-N	416.546	5.734	30	20	HKED	
COc1cc(/C=C\C(=O)c2sccc2Br)ccc1OCC(F)(F)F	750904994	KPSRUGSTGCAJBE-RQOWECAXSA-N	421.234	5.356	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cn1nc(C2CC2)n(-c2ccccc2)c1=S	751929929	BHXWGWHOJLBLPH-FGZHOGPDSA-N	415.566	5.010	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1OC	762415486	GXTYOHMEOGCJGG-PKHIPVCBSA-N	418.493	5.168	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)c(OC)cc1O	763107567	ZIEQAYUXZMSCCN-FPLPWBNLSA-N	401.871	5.082	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2)nn(CN(CC)[C@H](CC)c2ccncc2)c1=S	765032371	VIGXJAMMRCTCHY-OAQYLSRUSA-N	423.586	5.101	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)cs1	766696993	ZIVCKSAQLTZUKR-LPKQHDGYSA-N	422.937	6.173	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl	766871321	XALIQBYURVEUPZ-OAHLLOKOSA-N	416.868	5.222	30	20	HKED	
Cn1nc(C(F)(F)F)c(CN[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1Cl	770046841	STPZXONMBHBYIF-SNVBAGLBSA-N	424.147	5.278	30	20	HKED	
N#CCCCOc1cccc(/C=C\C(=O)c2ccc(OC[C@H]3CCCCO3)c(F)c2)c1	771098268	MUUXMEVVEIDNFX-NAMLBJQJSA-N	423.484	5.352	30	20	HKED	
CC(C)Cn1ccc2c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cccc21	774053838	PWQQPJHAHUIWHQ-QFIPXVFZSA-N	409.489	5.412	30	20	HKED	
CC(C)C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)cc1	775460789	KXSSSCZIPIPIDD-PZJWPPBQSA-N	418.928	5.254	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	775488607	PIMINMICBOEYEW-UIAACRFSSA-N	401.432	5.537	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1	775540504	WEUZHYVMOAULSP-SFTDATJTSA-N	412.537	5.043	30	20	HKED	
CCN(C)[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	780315373	QORFUDXICABIAX-CRAIPNDOSA-N	417.456	5.184	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccc(C#N)cn2)c2cc(Cl)ccc2Cl)cc1	783300188	JYCQMJZOZOIHTF-JOCHJYFZSA-N	412.320	5.342	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3nccc(C)c3c2C)cc1	786308924	DGZRKOSRLDVVTJ-GOSISDBHSA-N	405.523	5.217	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1	793977556	XWFNJSOTNNYEGW-VWLOTQADSA-N	424.544	5.251	30	20	HKED	
COc1cccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	796762695	IQBRSGODNFHAAZ-HXUWFJFHSA-N	418.518	5.357	30	20	HKED	
C[C@@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(C(F)(F)F)cn1	798677350	ZMJHKERKMOWYJV-CYBMUJFWSA-N	416.355	5.062	30	20	HKED	
CCCC1C/C(=C\c2cn(C)nc2C(F)F)C(=O)/C(=C/c2cn(C)nc2C(F)F)C1	812240074	JCSYFIWFZBSRSB-UQNWOCKMSA-N	424.442	5.275	30	20	HKED	
COc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1CN1CCCCC1	815636452	VNUIVBKGPYHVOA-PXDATVDWSA-N	405.586	5.767	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	817318743	HISFRVPAHNLHQL-NRFANRHFSA-N	407.514	5.127	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@@H](CCCC#N)c1ccccc1	817320102	XNVPONDXDKPATD-FQEVSTJZSA-N	407.514	5.127	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)[C@H](C)c1ccc(C#N)cc1	914509111	BYCJGXVTUWBDRZ-IQGLISFBSA-N	424.500	5.236	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4ccccn4)c3C)n2)cc1	916973189	WBQKGNURCAASAV-FQEVSTJZSA-N	412.518	5.411	30	20	HKED	
CCOc1ccc(OC(C)(C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917045934	DALLCHAOKYOCHD-MRXNPFEDSA-N	414.914	5.382	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)c1nc2ccccc2o1	917509839	CEAVBKHGCSRHSH-KRWDZBQOSA-N	419.387	5.663	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3F)n2)cc1	920792460	QZQRVZVZMOQZRR-KDOFPFPSSA-N	421.497	5.424	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc([N+](=O)[O-])cc2)cc1	920994456	RZJQDAFLORGTHR-UHFFFAOYSA-N	420.469	5.005	30	20	HKED	
C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccc(F)cc1Cl	921182598	JCYCDUAIWFQYKQ-AWEZNQCLSA-N	422.843	5.202	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1C#N	1124333851	KWEDIFSIVGVMRV-UHFFFAOYSA-N	401.447	5.046	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccco3)cc2)CCC1	1791910378	GEGWQQVAPMYOBO-CVDCTZTESA-N	420.553	5.361	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccccc1	10170514	YORKMXDLEHYFLB-UHFFFAOYSA-O	417.598	5.885	30	20	HKED	
N#C[C@H](C(=O)c1noc2c1CCCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	51285730	RHIRNJIDUWUZTK-CYBMUJFWSA-N	418.305	5.474	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1	56352609	MLEOBQQQTSWNSC-UHFFFAOYSA-N	403.269	5.035	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1	57265036	BIWTUSQNQGAHEX-UHFFFAOYSA-N	416.452	5.177	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)N1CCCN(c2ccccc2C#N)CC1	58531617	SFJRMLVRSAPLSX-UHFFFAOYSA-N	410.949	5.081	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1	65870088	CHIHKCSYSSQLIS-HXUWFJFHSA-N	420.553	5.339	30	20	HKED	
CCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)[C@@H](C)c1ccc(C#N)cc1	106212964	HAIKANMUDOXILS-INIZCTEOSA-N	423.969	5.411	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)c1	108295335	MRDOYMRYVLGTBJ-UHFFFAOYSA-N	421.497	5.448	30	20	HKED	
CCN(C(=O)c1ccc(CSc2nc(C)cs2)cc1)[C@H](C)c1ccc(C#N)cc1	108878188	FIXJUNWDSQTQIO-QGZVFWFLSA-N	421.591	5.839	30	20	HKED	
C=CCn1c(SCc2cnc(C)s2)nc2cc(-c3ccccc3)sc2c1=O	195651660	CAXAMUUNSSVSHO-UHFFFAOYSA-N	411.577	5.368	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)c(OCc3ccccn3)c(C)c2)c1	237022677	SEZPCRDJRNBMHQ-DEOSSOPVSA-N	415.537	5.248	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1	237023403	JWQOWXXAPDBHIX-DEOSSOPVSA-N	411.505	5.108	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1C1CC1	255300256	MTQBZVZCVQVXSQ-UHFFFAOYSA-N	418.526	5.488	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3csc(-c4ccccc4F)n3)s2)cc1	302974928	GYWHHICYTHXGSF-UHFFFAOYSA-N	420.494	5.120	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1	303299331	OGELAVHOSVLUDL-KBRIMQKVSA-N	415.356	5.443	30	20	HKED	
CCOc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	303399920	QPSIHXRVUQVQGH-XMSQKQJNSA-N	423.582	5.113	30	20	HKED	
CC(C)c1ccc(N2CC[C@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2=O)cc1	303969403	ZMUGOYDIVMXXLI-FXAWDEMLSA-N	421.566	5.196	30	20	HKED	
CC1CCN(Cc2ccccc2CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	410338424	FXTAYZCKYBAATC-UHFFFAOYSA-N	404.558	5.041	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccc(F)cc1C(F)(F)F	410426383	OXSIQZZMVLSBBK-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2cc[nH]n2)s1	431616501	GYOJBLIDTKLPAC-UHFFFAOYSA-N	414.490	5.150	30	20	HKED	
CC[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccccc1OC(F)F	431841635	COCAABCUILHEOR-RBUKOAKNSA-N	401.457	5.473	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4)ns3)n2)cc1	437375665	KMRQVJNSVLZMNV-QGZVFWFLSA-N	417.515	5.432	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1OC(C)C	437458902	KWXKVUDQPKPXOC-UHFFFAOYSA-N	420.440	5.538	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	437880962	ZMEHMFOZMPBKKS-SCLBCKFNSA-N	421.394	5.253	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)c3ccc(C#N)cc3)cc12	440053472	QVVILBPAQBOZFQ-UHFFFAOYSA-N	420.925	5.256	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cccc3ccsc23)cc1	442237897	YIMIRCUMDCAYGS-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc2c1CCCCCC2	443873341	CLEBILWSXHQYBQ-UHFFFAOYSA-N	423.416	5.458	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c2ccccc21	443881211	HHKSOSLUQUFFCN-UHFFFAOYSA-N	401.466	5.239	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)c4cn(CCCC#N)c5ccccc45)CC3)c[nH]c2c1	444040998	VNJSICIOZLTMAL-UHFFFAOYSA-N	422.532	5.664	30	20	HKED	
N#Cc1c(CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cn2ccccc12	446625961	ALUJEUOWKNGJME-UHFFFAOYSA-N	424.382	5.287	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)nc1	460334977	MAJZDEUZAWYVDK-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
CCCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	461532037	PYYUPJKSKBRWGJ-AREMUKBSSA-N	415.512	5.362	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1cc(C(F)(F)F)ccn1	464410473	WQUHRKKMYHZSSQ-INIZCTEOSA-N	418.321	5.661	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccccc2CCC(F)(F)F)c1	465486014	MFMWZRIRQMOPRW-UHFFFAOYSA-N	414.383	5.477	30	20	HKED	
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C12CCC2	466041829	SAODCWSILBTCAJ-FGZHOGPDSA-N	405.498	5.128	30	20	HKED	
CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	467039950	FJWWMZYPMZGPRQ-RBBKRZOGSA-N	423.582	5.470	30	20	HKED	
CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	471094533	HLTSBISJCSRWKY-MRXNPFEDSA-N	415.449	5.023	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c2ccccc21	472232600	NDGGLUCNPFHPFO-RUZDIDTESA-N	410.521	5.446	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1	473800506	ZTUIBTPWYRLFSV-UHFFFAOYSA-N	422.941	5.834	30	20	HKED	
C[C@@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1	474075306	OAGIRYSYWIVUHR-QRQCRPRQSA-N	424.317	5.489	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	475455397	ADYRSHSUFZIIJX-UHFFFAOYSA-N	421.722	5.555	30	20	HKED	
C[C@@H]1CCN(c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccn2)C1	478091324	VQRWDKWPCFBLJH-KDOFPFPSSA-N	422.941	5.195	30	20	HKED	
C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nnc1-c1ccco1	478519595	UFKKEHUVRDJADV-HNNXBMFYSA-N	424.309	5.037	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1	481689015	XDJJUMPSGFRHDY-IBGZPJMESA-N	409.486	5.611	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483202923	PSRSBOHPZCGDQC-OAHLLOKOSA-N	422.366	5.102	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)c2)cc1	483444714	XEPHRSHAKPASLA-DHLKQENFSA-N	412.489	5.248	30	20	HKED	
COCCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H]1CC[C@H](C)C1	483703521	TZQNESLQULKCKV-AVRDEDQJSA-N	421.541	5.115	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	486142240	HFPQKDBANLPTCB-BTYIYWSLSA-N	401.535	5.288	30	20	HKED	
Cc1cc(=O)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1C1CC1	487570667	VLXNZSWHJNXHKT-UHFFFAOYSA-N	419.868	5.061	30	20	HKED	
C[C@@H](c1nnc(SCc2cccc(F)c2C#N)n1-c1ccccc1)N1CCCCC1	488265990	SQFDSJNJSKWRSV-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
Cc1ccc2ncc(C#N)c(OCC(=O)Nc3c(C(C)C)cccc3C(C)C)c2c1	488300343	UJNHANXVKSXLTA-UHFFFAOYSA-N	401.510	5.679	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1N[C@H]1CCN(c2ccccc2F)C1=O	489142008	UJQIPXUGLROKDD-HNNXBMFYSA-N	423.435	5.068	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1C#N	490208099	UCOZSELQSKCDKF-UHFFFAOYSA-N	411.575	5.171	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ncc(Cc3ccccc3F)s2)c1	496300545	CDCHJNOMHQNWDV-UHFFFAOYSA-N	410.474	5.200	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)c2)cc1	497800938	WHMPOIFWJICGJX-GOTSBHOMSA-N	418.443	5.352	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc12	499922762	QAJHWAJJKLCKDT-LJQANCHMSA-N	420.925	5.103	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	503217254	MYOVAAZHPOBXPC-LPHOPBHVSA-N	411.527	5.283	30	20	HKED	
N#Cc1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)cnc1C(F)(F)F	505106449	ZCGSQIDJQKHOLI-UHFFFAOYSA-N	409.795	5.057	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2c[nH]c3cc(F)ccc23)cc1	508980314	NLMSXFPHPSZIBN-UHFFFAOYSA-N	415.443	5.089	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3-c3cccs3)CC2)cc1	509244076	AITNKYBHZVPWDI-UHFFFAOYSA-N	403.507	5.362	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cc1OC	509605777	QXQNSTUOSQOTKD-OAHLLOKOSA-N	400.906	5.232	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)on1	510045974	QVEAAZLWSFQYND-TZIWHRDSSA-N	420.900	5.661	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1Cc2ccccc2C1	510641365	QLJKRBMWOUAHGH-QHCPKHFHSA-N	415.924	5.627	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1	510658147	NDDKQAMQRXVYOQ-UHFFFAOYSA-N	421.566	5.333	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1c(F)cccc1F	510715490	UTGMLMFRSKQLAG-UHFFFAOYSA-N	407.420	5.301	30	20	HKED	
CC(C)(Cc1ccc(C(F)(F)F)cc1)c1nc(COCC(F)(F)C(F)F)no1	518007412	UXTWXDISIQSRGB-UHFFFAOYSA-N	414.321	5.026	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCCCOC1CCCCC1	518434670	MXDZQBNBKVKIIH-UHFFFAOYSA-N	422.594	5.959	30	20	HKED	
CN(Cc1ccccc1NC(=O)CCCCOc1cccc(C#N)c1)C1CCCCC1	520321824	KHOXDBOQLBXVOC-UHFFFAOYSA-N	419.569	5.511	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1cc(F)ccc1F	520763965	LQCOJRLYEZPOGN-UHFFFAOYSA-N	408.423	5.450	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1	521428222	ZCUPYBKDGWSCPK-NLFFAJNJSA-N	419.569	6.096	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=O)N[C@H](C)c1ccc(C#N)cc1	521767437	LCYSYHFIWJLEFE-OAHLLOKOSA-N	400.320	5.004	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c1C#N	522045222	DDYJJFWMMUYQCR-UHFFFAOYSA-N	422.554	5.098	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccco1	522747253	VPXXIGQLNBIGRO-GFCCVEGCSA-N	413.890	5.281	30	20	HKED	
COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1C#N	525058601	JTNMCZXIBOVWPY-UKILVPOCSA-N	414.530	5.178	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)s1	533294750	DDASLWOAWHQCBG-ZBFHGGJFSA-N	416.616	5.040	30	20	HKED	
C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccc1-c1ccc(Cl)cc1	537114286	IIIIZGSSMMAFSZ-HNNXBMFYSA-N	409.942	5.620	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21	537256479	DBTODNKQGNIXSV-YOEHRIQHSA-N	415.946	5.770	30	20	HKED	
N#CC1(CCCNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)CCOCC1	538609901	GMBZXJTWXPZXLA-UHFFFAOYSA-N	415.896	5.244	30	20	HKED	
N#Cc1cc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)ccc1F	539957490	DHPZPIIPRHMJLJ-VZUCSPMQSA-N	406.360	5.341	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NCc2cc(Cl)sc2Cl)c1	540004824	IIPJSJOGLOEFLG-UHFFFAOYSA-N	407.278	5.029	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	541100436	MRQUCEYMAQBTTE-CQSZACIVSA-N	419.872	5.368	30	20	HKED	
C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1	542000459	MDNOOYNGMQRYQN-CQSZACIVSA-N	405.841	5.278	30	20	HKED	
COc1ccc(C2(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)CCC2)cc1	542376445	RTPLQJWYUKOKBP-QGZVFWFLSA-N	409.555	5.333	30	20	HKED	
N#C[C@H](C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc2cc(Cl)ccc2s1	544149042	SNGHWUJLYQBEPT-CYBMUJFWSA-N	418.305	5.277	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Cl)cc2Br)C2CC2)cc1	544260275	FQFJNVKHLZUSKI-UHFFFAOYSA-N	404.695	5.171	30	20	HKED	
N#Cc1ccc(CN2CCC(NC3(c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	545981581	NHRGAJQJCCFXCA-UHFFFAOYSA-N	400.353	5.108	30	20	HKED	
C=CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1	548841107	YDLQTTWLHSGYOY-KRWDZBQOSA-N	421.595	5.110	30	20	HKED	
Cc1c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)sc2ccc(C#N)cc12	556279458	ZZAKSMQUZWFNEA-UWJYYQICSA-N	417.578	5.207	30	20	HKED	
Cc1cccc(N(CCC#N)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1	557625151	WITOAVROZGVDHN-UHFFFAOYSA-N	403.718	5.064	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c1	561320242	DVFDFKDLGQTCJF-IBGZPJMESA-N	406.873	5.019	30	20	HKED	
Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	561452465	VANDTRFFJIPRIQ-SFHVURJKSA-N	422.872	5.063	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CC(C(F)(F)F)C2)cc1Cl	572743778	NBUPVIKGHRJUCL-PUJMQQBBSA-N	407.823	5.458	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1)[C@@H]1C[C@H]1C	581091196	CVQXWVSUTQEDDR-ZUOKHONESA-N	403.507	5.095	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cn1)c1ccccc1	581225549	OWSVSZYIEXUAPO-KDOFPFPSSA-N	411.383	5.125	30	20	HKED	
CC(=O)N(c1nc(CSc2cccc(F)c2C#N)cs1)c1cccc(C)c1C	584877559	YFMDRBBZQCDIJQ-UHFFFAOYSA-N	411.527	5.748	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](c3ccccn3)C2)cc1	590565052	KMWUKDUCGUFLOP-NRFANRHFSA-N	413.546	5.265	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603828951	GIHGFKYTJDXSMM-HNNXBMFYSA-N	406.873	5.624	30	20	HKED	
Cc1ccccc1COc1ccccc1C(=O)Nc1cccc(OCCCC#N)c1	603969696	TWSDTIGULSQMOS-UHFFFAOYSA-N	400.478	5.509	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	604459837	WLQUXVGKGZUSKU-IBGZPJMESA-N	413.521	6.222	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cn2)c1	604469423	WDSBMHCVKYZEOY-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
N#C[C@@H](C(=O)c1coc(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1	606753489	JTSJHSNXFUCOQW-ZDUSSCGKSA-N	407.401	5.233	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2sccc2C1	609078380	MOVPBDJBCNVROF-UHFFFAOYSA-N	403.507	5.097	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3c(-c4ccccc4)ncn3C3CC3)c2)cc1	609127049	BIKGIOOJVWGDRA-UHFFFAOYSA-N	420.472	5.801	30	20	HKED	
Cc1cc(CNC(=O)N2CCC(C#N)CC2)ccc1Oc1ccc(Cl)cc1Cl	609212113	JMIPNYSJGUTOEE-UHFFFAOYSA-N	418.324	5.539	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Br)cs1	609398270	PBWSHELMZUAQRT-NSHDSACASA-N	410.362	5.084	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCc2ccc(O)cc2)CC1	609435096	OXQKSEHMIJFIPT-SFHVURJKSA-N	423.582	5.663	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1Br	609593935	NKRQHTYNOOGAJJ-MRXNPFEDSA-N	412.114	5.070	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	610175039	UYOSJPRGCJYPLK-INIZCTEOSA-N	409.555	5.109	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(Cl)c1	610896640	DMCZSGBLUWNDEU-UHFFFAOYSA-N	421.831	5.535	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)n1	611572480	DFJLSZTVGVIPKK-UHFFFAOYSA-N	414.824	5.143	30	20	HKED	
COCCC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(Br)cc1	619755504	ZDRMOPLTTRBNHG-LJQANCHMSA-N	407.739	5.232	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1	642157159	IYBBMZGBKJXDBQ-URLYPYJESA-N	423.275	5.225	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc2ccccc2n1C(F)F	642282505	YENCRFADTOJCCJ-QGZVFWFLSA-N	423.444	5.562	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(F)(F)CC1	670232112	UAROKHJFGQAKQF-UHFFFAOYSA-N	424.495	5.336	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	682989802	OABJZDYQTAZLNU-KRWDZBQOSA-N	421.378	5.707	30	20	HKED	
COc1cc(/C=C2\CCc3sccc3C2=O)cc(Br)c1OC(F)F	726894201	VYWXXIJLSQDGQJ-UXBLZVDNSA-N	415.255	5.333	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc2ccccc2n1C(F)F	727953796	GRTCDVVKTGIUER-IBGZPJMESA-N	423.463	5.562	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1cccc(C)c1C	727978608	JJGQFNKDJJMIGE-UHFFFAOYSA-N	401.535	5.871	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1	728466373	SITUKIVSUYXAJF-FGZHOGPDSA-N	408.423	6.017	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc2cc(F)ccc2s1	730421811	QFLWKVRWIUXBNF-HNNXBMFYSA-N	410.857	5.497	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)c1	734081540	MMKQONWQKXLXPM-IBGZPJMESA-N	417.534	5.360	30	20	HKED	
C=CC[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccncc1	734457106	GFQWFNPFEDPWRF-SFHVURJKSA-N	416.308	5.410	30	20	HKED	
CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)C	734701757	LYZBPQFUAXCMRD-GOTSBHOMSA-N	419.569	5.248	30	20	HKED	
CCN(CCC#N)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccco2)c1=S	742539699	OJZPWFPBBFBHHK-UHFFFAOYSA-N	423.586	5.213	30	20	HKED	
CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1	743433988	IMRIBPTZCKGWRQ-UHFFFAOYSA-N	424.570	5.097	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cs1	749451670	HPFQJKYQOFPAKF-WEVVVXLNSA-N	423.444	5.483	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2ccc(-c3ccc4c(c3)CCCO4)cc2)cc1	749918233	FMYUPRRJCYCOSP-UHFFFAOYSA-N	411.549	5.318	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	752992404	RTQGUCYKSRNFRR-UHFFFAOYSA-N	401.514	5.228	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCOc2ccc(Br)cc21	753141910	JSXLJRNEMIVCEJ-UKTHLTGXSA-N	413.296	5.016	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C\c3ccc(-c4nc5ccccc5s4)o3)ccc21	754690424	VVDLRVMOEJOBBP-FLIBITNWSA-N	414.486	5.361	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NOCc1ccc(C(F)(F)F)cc1	756481303	WRGOXKWIQGNACM-ZDUSSCGKSA-N	409.433	5.210	30	20	HKED	
C[C@H](OC(=O)/C=C\c1ccccc1C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	757989633	KYFVOYMKJKEWCE-PWWFUAJNSA-N	414.248	5.233	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccncc1	759216306	ABCPGIKUKWJKOU-IHDYFISCSA-N	405.567	5.376	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)ccc1OC	764149298	GLERCGSSPDDQGV-KRWDZBQOSA-N	413.474	5.074	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](CCSC)c2nnc3ccccn23)cc1	764722741	YPOBIAOAXUSKLC-QFBILLFUSA-N	416.978	5.006	30	20	HKED	
C(=NOCc1nc(C2CCCCC2)cs1)c1cccc(OCc2ccncc2)c1	766688211	CUXRLYQHFOTMMJ-UHFFFAOYSA-N	407.539	5.716	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cc(Cl)c(N)c(Cl)c2)cc1OCCCC#N	773160585	OAKGPQITXWMWJV-XQRVVYSFSA-N	405.281	5.163	30	20	HKED	
C[C@H](OC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccc(C#N)cc1	779217284	DZPGWNSVKUHGGE-NSHDSACASA-N	415.218	5.033	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl	780152132	CCOBTWXMSNQWBS-AWEZNQCLSA-N	413.905	5.258	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1sccc1SC(F)F	780306012	QUTUBGLMCDGMFD-LLVKDONJSA-N	403.344	5.374	30	20	HKED	
COc1ccc2cccc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	780327466	IBULBMUZHUZXEZ-JOCHJYFZSA-N	423.497	5.263	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(SC(F)F)cc2)c1C#N	782227028	FICHVPLTDQQTIC-UHFFFAOYSA-N	416.478	5.033	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C1(C)C	783070747	WJUAGVPQVAEEKU-MCIONIFRSA-N	408.445	5.133	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1	789457802	WSKDROXZGDSWIV-UHFFFAOYSA-N	413.562	5.227	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(C)o2)c1	797199742	YZIQJTXTXVDUGK-ZRDIBKRKSA-N	414.461	5.354	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)OCCCC3(C#N)CCOCC3)cs2)cc1	800079579	VQLUCQIMVQQRNS-UHFFFAOYSA-N	412.555	5.120	30	20	HKED	
O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1csc(C(F)(F)F)n1	809128442	VMKXFWGGDWNDQV-SECBINFHSA-N	423.256	5.641	30	20	HKED	
COc1cc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cc(OC)c1OCC(F)F	809158917	YNHDHQZYIWYUGZ-ZUZCKIMGSA-N	400.421	5.048	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](O)c1ccc(Cl)cc1F	813422392	AALYAFHTCHHXIY-NRFANRHFSA-N	410.832	5.124	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1	915350124	HXLPSXCWEDHYLN-VWLOTQADSA-N	410.521	5.264	30	20	HKED	
COc1cccc(NC(=O)/C(=C\c2ccc(OC(F)F)cc2)C(=O)c2ccccc2)c1	916156049	BCPIKKBMWKXAEN-STZFKDTASA-N	423.415	5.202	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc2ccccc2s1	916846526	YHODKCSYJBFGKS-QGZVFWFLSA-N	418.905	5.872	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1	916912100	XPEULFSEYOGAPU-QFIPXVFZSA-N	402.494	5.317	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(Cl)cccc2s1	916928547	NPJZQGVITVDBBT-NSHDSACASA-N	423.708	5.823	30	20	HKED	
CC(C)(C)c1ccc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928792	UOMIJNVNHIKCSS-ACAQERRYSA-N	415.320	5.652	30	20	HKED	
Cc1ccc(OCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1	916976588	SQOLKNWCZKOQIM-SFHVURJKSA-N	410.926	5.726	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1	917042182	DEDITLQFVCTYEV-CYBMUJFWSA-N	408.832	5.778	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	917045940	DDPNWQLMFBOVNQ-YOEHRIQHSA-N	412.942	6.025	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CSc3ccccc3C2=O)cs1	917563636	QPTVIGUVKHHLEX-WJDWOHSUSA-N	406.532	5.508	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccccc3n2C(F)F)cc1	927593138	XEAKUSJCOWIBMO-OAHLLOKOSA-N	414.481	5.167	30	20	HKED	
C=CCCC[C@H](C(=O)N1CCc2c(ncn2CCc2ccccc2)C1)c1ccccc1	929073284	YTVUVXWUHOADPZ-DEOSSOPVSA-N	413.565	5.151	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)c3cccs3)CC2)C1	1804866369	YBMYEVOFLTVFTF-IBGZPJMESA-N	416.631	5.075	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)COc3c(Cl)cccc3Cl)n2)cc1	14497170	VDVQZTFXIRPOTD-UHFFFAOYSA-N	404.278	5.006	30	20	HKED	
C=CCn1c(=S)sc2c(=O)n(Cc3ccccc3Oc3ccccc3)cnc21	25065825	DEPZCVNESWUYRG-UHFFFAOYSA-N	407.520	5.016	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	29013317	RWFBYOCQQWGRIP-GFCCVEGCSA-N	417.412	5.107	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cs1	29153359	GYKTUTLSCQWKEN-UHFFFAOYSA-N	407.564	5.797	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2ccccc2s1	41499689	ZMAGQCGXMSMKRP-CQSZACIVSA-N	403.488	5.100	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1CNc1cccc(OCCCC#N)c1	237681200	STBLQSSRQDNVPV-UHFFFAOYSA-N	408.933	5.496	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC2(c3cccc(F)c3)CCOCC2)c1	237750634	JQZKJIOATBBIIO-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
C=CCN(Cc1nnc(-c2ccccc2Br)o1)Cc1ccc(Cl)s1	302744667	OKCRUDNUHYVUOM-UHFFFAOYSA-N	424.751	5.402	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1OC	303250305	BDPHVPRTRWQHAB-HVJHFUJKSA-N	420.534	5.274	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)sc2ccc(C#N)cc12	429866768	OSBSAXYVCFPOIO-UHFFFAOYSA-N	424.375	5.537	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(CNc3ccccc3)cc2)c1-c1ccccc1	430623695	HTUDFORVTRISNF-UHFFFAOYSA-N	421.504	5.328	30	20	HKED	
C=CCC(C)(C)CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	432691118	XLUFEQZPXXIBEV-UHFFFAOYSA-N	409.408	5.275	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c1	432797773	GQXJENLWFHMZFJ-AWEZNQCLSA-N	413.346	5.017	30	20	HKED	
Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(-c2nc(C3CC3)no2)c1	432989303	PQNDBQRWTDCEHC-HXUWFJFHSA-N	415.497	5.479	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1	438077660	LVRYGJTXMSRQJF-HUUCEWRRSA-N	413.547	5.394	30	20	HKED	
COc1ccc([C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccc(F)cc2)cc1	438837557	AUOXIKQGSRUMDW-BJKOFHAPSA-N	417.484	5.268	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	439348690	ANGFVFWDRPLTOQ-SZOBAZRNSA-N	419.525	5.144	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)CSCc1ccc(C#N)cc1OC(F)F	439537431	RTUZVZWMGUKZSI-UHFFFAOYSA-N	404.482	5.463	30	20	HKED	
CCCc1c(NC(=O)N(CC)Cc2c(F)cccc2F)cnn1-c1cccc(C#N)c1	439676083	VYQMUUFOAKQBKV-UHFFFAOYSA-N	423.467	5.029	30	20	HKED	
CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](c1ccccc1)c1ccc(F)cc1	440315177	KKZBVGBLDYAMBJ-DEOSSOPVSA-N	412.468	5.359	30	20	HKED	
C=CCN(C(=O)c1sc(C2CCCC2)nc1C)c1nc(-c2ccccc2)cs1	443811240	CHUBDWFJMAETBQ-UHFFFAOYSA-N	409.580	6.065	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(Cc2csc(Br)c2)C2CC2)cc1	443829699	VRDVEAKLSICZSI-UHFFFAOYSA-N	418.360	5.508	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	443876989	IEWNTVSNPHOECZ-UHFFFAOYSA-N	405.376	5.400	30	20	HKED	
COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cn(CCCC#N)c3ccccc13)[C@@H]2C	444264172	CMOPOPCVYDGJDH-QZTJIDSGSA-N	401.510	5.102	30	20	HKED	
C[C@@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1)c1cccc(C#N)c1	462025781	RFXXYPBIERMVCP-GOSISDBHSA-N	419.500	5.327	30	20	HKED	
COc1ccc([C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)cc1	462132888	SHPUMPVNIOWSNE-HJPURHCSSA-N	404.897	5.230	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	463480270	FREJMVJBPDVLRS-QGZVFWFLSA-N	416.452	5.124	30	20	HKED	
COc1ccc2c(c1)c(C(=O)NCc1cc(C#N)ccc1F)c(C)n2C1CCCC1	464048769	SYZWXCFECDWASB-UHFFFAOYSA-N	405.473	5.014	30	20	HKED	
COc1cc([C@H](C)NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1OC(C)C	465605133	QVXNPPYMNZQVRI-BWAGFHJFSA-N	421.541	5.025	30	20	HKED	
Cc1ccccc1C1(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCC1	472792630	PNXXGRNSDRPBOZ-UHFFFAOYSA-N	420.563	5.071	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc12	474427492	ATAOUIAFRRYARS-KRWDZBQOSA-N	420.563	5.525	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(NC(=O)NC(C)C)cc1	475568490	BAVGZCRQIPURLM-UHFFFAOYSA-N	408.546	5.390	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1	475578047	LBQZOYVZYROGMS-SFHVURJKSA-N	407.558	5.845	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	475968672	TUCPZMRJXNNHGX-UHFFFAOYSA-N	421.541	5.257	30	20	HKED	
O=C(CCCCc1nc2ccccc2s1)NCC#Cc1ccc(C(F)(F)F)cc1	477248901	BFUNAGDHQJRVLQ-UHFFFAOYSA-N	416.468	5.196	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1F	479481611	QSIFPKYDSNSPME-HSZRJFAPSA-N	408.860	5.001	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C	480046981	XQGHXYZKVZTKDD-OAHLLOKOSA-N	422.916	5.519	30	20	HKED	
C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nnc1-c1cccs1	481404042	UBHDJCMFGBKUPZ-UHFFFAOYSA-N	409.483	5.095	30	20	HKED	
C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(NC(=O)c2ccncc2)cc1	481661208	RZBMJWXMGCLYOK-AVRWGWEMSA-N	410.521	5.324	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nccc4ccccc34)c3c2CCCC3)cc1	483224796	ZAWFBROTAIXXCF-JOCHJYFZSA-N	406.489	5.098	30	20	HKED	
N#C[C@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1nccc2ccccc12	483228655	JWHHAPZCHPKTOO-NRFANRHFSA-N	407.404	5.672	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1ccc(F)c(F)c1	483294260	IIZLWHURJWVBMV-RJGXRXQPSA-N	422.479	5.007	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2-c2c(F)cccc2F)nn1-c1cccc(C#N)c1	494533273	PRJKHCUYHMWYHC-UHFFFAOYSA-N	414.415	5.250	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F	494680182	RZOZEXYFCHPURD-AOMKIAJQSA-N	406.432	5.028	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(Br)cc1	499408776	QVFXTBZDBLMEMW-NRFANRHFSA-N	421.294	5.023	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	502368492	RXUWTCVFHJRPKA-NYHFZMIOSA-N	408.860	5.024	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccccn3)cc2)c1	504168087	VCMSYPLUBLOYOM-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
N#CCCN(Cc1ccco1)Cc1cnc(-c2ccc(Br)cc2)s1	505738999	BPGIWRXPGGPVCE-UHFFFAOYSA-N	402.317	5.081	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1cccc(Br)c1	506523095	FXXQUNXYZVKDHX-OAQYLSRUSA-N	421.294	5.023	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cs2)cc1	506999721	IRKJAOAJCPSZNU-MRXNPFEDSA-N	419.531	5.699	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C	507078424	RPJBCPCQYAMJGZ-SFHVURJKSA-N	421.566	5.586	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1	508178712	PWBWFTQVQVIOQS-LJQANCHMSA-N	402.325	5.418	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	508188765	AKCZDMUAQPPDFQ-OPAMFIHVSA-N	419.912	5.454	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1	509512949	YBJDLDJUCBGBTM-UHFFFAOYSA-N	421.472	5.133	30	20	HKED	
CCN(C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)[C@H](C)c1ccc(C#N)cc1	509564299	MIQTXIXEPZEJRU-CYBMUJFWSA-N	417.456	5.719	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1F	510581276	XMGXSSQGCWUANW-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cc2ccccc2o1	511529098	AJRIGKNTVFUEAX-INIZCTEOSA-N	424.460	5.439	30	20	HKED	
CC(C)(C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1)c1cc(F)cc(C#N)c1	511624427	PFDAXBZTTARWGC-UHFFFAOYSA-N	407.464	5.002	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	513140341	DTMVZUXUFBRUMJ-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc2ccccc21	513682357	UEMHHFSKIXASNU-LJQANCHMSA-N	419.406	5.749	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)NCCc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	517778398	XONDDCQHBZNSFR-CQSZACIVSA-N	424.957	5.247	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1OC(F)F	518165513	HKVZDJRGLRSYME-GOEBONIOSA-N	419.497	5.813	30	20	HKED	
C[C@@H](c1cccs1)N(CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1	519904598	SEJMKZVSJIPVGP-FQEVSTJZSA-N	403.551	5.258	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(-c2ccccc2F)o1	521725969	JURWXNXBWKLGBN-INIZCTEOSA-N	408.498	5.909	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	523754979	KLEHXXWXRWWVRR-AWEZNQCLSA-N	418.419	5.724	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	524664421	PDXSPKNBDKVBJD-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
CN(C(=O)c1occc1COc1cccc(C#N)c1)c1ccc(-c2ccccc2)cc1	524769192	WCYUMFPUNAWWOC-UHFFFAOYSA-N	408.457	5.674	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)sc1SCC#N	530592787	JLRAAZJZWPDKCZ-UHFFFAOYSA-N	416.915	5.160	30	20	HKED	
COc1ccc([C@@H](NCCCC(C)(C)C#N)c2ccccc2)cc1Br	532413666	YKHPERVGDXTDLS-FQEVSTJZSA-N	401.348	5.467	30	20	HKED	
C=C[C@H](CC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccccc1	536132359	XAGCKKRIMAGKIJ-HSZRJFAPSA-N	421.544	5.575	30	20	HKED	
C=CCOc1ccc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1Cl	537624889	YOIUNKKSALGZNK-UHFFFAOYSA-N	423.862	5.417	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)cc2)cc1	537890706	KYHBXHHAPFRLMA-RCZVLFRGSA-N	412.489	5.053	30	20	HKED	
CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(C#N)c(Cl)c1	539175452	QFWLZKKCASZVGL-UHFFFAOYSA-N	415.880	5.329	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	540841819	CIOPZMFVLDWKBH-PMACEKPBSA-N	401.432	5.055	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C2CC2)cc1	541468555	NFCSYKXJXWPKBG-UHFFFAOYSA-N	416.525	5.274	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1	543335532	IHFLMVIMVPXCAY-IBGZPJMESA-N	420.516	5.532	30	20	HKED	
COc1ccc(-c2noc([C@@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)cc1	543862087	OMMJVJYOMSPTAK-ZWKOTPCHSA-N	424.504	5.696	30	20	HKED	
COc1cc(-c2noc([C@H](C)Oc3ccc(C#N)cc3)n2)cc(Cl)c1OC(C)C	546230911	WDSLLDXHUHGCKY-ZDUSSCGKSA-N	413.861	5.197	30	20	HKED	
Cc1nc2ccc(Br)cc2c(N2CCC(C#N)(c3ccccn3)CC2)c1C	548822167	NJXQEVBHJRXFHD-UHFFFAOYSA-N	421.342	5.071	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccc1F	549401258	UWSSHKKXYDBEIL-ZDUSSCGKSA-N	410.861	5.073	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1Oc1ccccc1OCC	553084834	AOCVFZIQTKWPBO-UHFFFAOYSA-N	421.493	5.181	30	20	HKED	
CC(C)(CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)(F)F	554910551	JUTPWKMGBWXQMR-JTQLQIEISA-N	410.280	5.197	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	555007526	MVZBQCCEVLIZRJ-QHCPKHFHSA-N	414.465	5.123	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H]1c1cccnc1	561009714	AMINMZGOCWRCCY-JOCHJYFZSA-N	417.896	5.622	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)nc1	562386181	AXUFLAXUMBNZOB-UHFFFAOYSA-N	417.925	5.206	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCSc1ccccn1	576734376	DGXSDPGNSJLNPT-UHFFFAOYSA-N	405.548	5.017	30	20	HKED	
N#Cc1ccc(CSCC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1	603732572	WJKLYSIXERDFGG-VYVOKACLSA-N	424.569	5.205	30	20	HKED	
C=CCn1c(SCC(=O)N2CCCCC[C@H]2CC)nnc1-c1ccc(Cl)cc1	606804500	SEJBMWHRFGJEQX-GOSISDBHSA-N	418.994	5.058	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4cccc(F)c4)cs3)o2)cc1	609055539	ILUBITXNQDOPRA-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
CCc1ccc([C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C(C)C)cc1	609211286	DBUDLOBVAFCZKA-XMMPIXPASA-N	405.542	5.071	30	20	HKED	
C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	609601561	XKXDDEXVXWGTRP-RUZDIDTESA-N	412.493	5.331	30	20	HKED	
CCN(c1ccccc1)S(=O)(=O)c1ccc(S[C@@H](C)c2ccc(C#N)cc2)nc1	609825811	VARUNHFFBWFTJJ-KRWDZBQOSA-N	423.563	5.022	30	20	HKED	
C[C@@H](CC(=O)NCCSCc1ccccc1C#N)c1cccc(C(F)(F)F)c1	609972388	ATAVTCOXWBTEFB-HNNXBMFYSA-N	406.473	5.120	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(F)cc3OC3CCCC3)CC2)cc1	610905439	KJIOOGLGMIUOHK-UHFFFAOYSA-N	423.488	5.094	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)c1	611356186	VCHITXMZIMNFSC-MSOLQXFVSA-N	424.928	5.283	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	611556792	MSYCGFBZMUKIST-HOCLYGCPSA-N	403.404	5.545	30	20	HKED	
CSc1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)n1-c1ccccc1	613406873	ADKOCDVOTBSFTA-AWEZNQCLSA-N	424.938	5.347	30	20	HKED	
Cc1cc(-n2cccn2)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	616172059	RHABQBNVJSWYBN-UHFFFAOYSA-N	424.529	5.597	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)cc1	619756781	BBWAVADFDYVTCN-MSOLQXFVSA-N	416.378	5.360	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642157694	MKBBYNCQGVMRAO-QWRGUYRKSA-N	415.349	5.009	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-n2c(C)ccc2C)n1	643120238	KGQKCINYDODFDE-UHFFFAOYSA-N	405.976	5.023	30	20	HKED	
C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1	675739169	UYKJXMBVHFBGMD-XEZLXBQYSA-N	405.329	5.848	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2c1	677557785	PTRAOGKCYRWORG-QFIPXVFZSA-N	414.468	5.644	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(OC(C)C)c(Cl)c3)n2)cc1	678324656	QRZNLBUQNPOLCX-INIZCTEOSA-N	411.914	5.444	30	20	HKED	
CCOc1ccccc1[C@@H](CC)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726074588	RYFIZDYXDBVWJA-BJKOFHAPSA-N	413.521	6.014	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1	726479726	YGBGOHMWBCXXGT-UHFFFAOYSA-N	420.925	5.774	30	20	HKED	
N#CCCCOc1cccc(/C=C(\Cl)c2nc(O)c3ccc(Cl)cc3n2)c1	726741352	FDAQYLVWJBFEDH-BOPFTXTBSA-N	400.265	5.408	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CCSc2ccc(Br)cc2)cc1	726940167	LUYBKCDCRDIGRL-UHFFFAOYSA-N	403.345	5.187	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H]2c2ccccc2OC)c1=S	727829735	WMEGFYSAPFGTCX-HXUWFJFHSA-N	424.545	5.209	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2nccs2)cc1	729036380	OZSHFXQQFLZHDJ-DHIUTWEWSA-N	424.529	5.710	30	20	HKED	
CCCc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)sc1C	731060950	NQWLJAMKFJNILR-CQSZACIVSA-N	416.568	5.056	30	20	HKED	
CC(C)N(C)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	731584793	GLCNDYONJCKZBE-UHFFFAOYSA-N	401.535	5.806	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1)c1ccncc1	734657183	DDPITDWHGUUFSO-DYESRHJHSA-N	409.530	5.089	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)o1	735232592	QEJDJBCOKJVWRT-YHYXMXQVSA-N	420.408	5.287	30	20	HKED	
N#CCOc1ccccc1C(=O)N(c1cccc(Br)c1)C1CCCCC1	739585375	AICGGVKDBTVCBC-UHFFFAOYSA-N	413.315	5.331	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1ccc2c(c1)COC2	742436624	MJKACRXBYZBINL-SREVYHEPSA-N	412.308	5.499	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(OCc3ccccn3)c(Cl)c2)c1O	743538185	ILOLYLKBOKNUBL-UHFFFAOYSA-N	418.236	5.332	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](Oc1ccccc1C#N)C(C)C	744841338	WWDGXEMNCWSZIV-IUKKYPGJSA-N	422.525	5.046	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccc2ccccc2n1	744936615	UVYRODUNJKNDSN-SQJMNOBHSA-N	412.876	5.885	30	20	HKED	
COc1ccc(CN(C(=S)Nc2ccccc2C#N)C2CCCCC2)cc1OC	745685970	CRWOAYFYNFUIQG-UHFFFAOYSA-N	409.555	5.107	30	20	HKED	
CCCN(C(=O)c1ccccc1NC(=O)N[C@H](CCC#N)c1ccccc1)C(C)C	748629893	QOTJKIXCCYIUKV-OAQYLSRUSA-N	406.530	5.114	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)OC[C@H](C#N)Cc3ccccc3)cc2)cs1	750782321	HXHUSVBHOFGHES-SFHVURJKSA-N	408.548	5.283	30	20	HKED	
N#CCSc1ccccc1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl	750856993	NFDAAVUGZYEJIL-UHFFFAOYSA-N	415.729	5.071	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2C)cc1C#N	752286005	JGXKGMKQEGHMQA-UHFFFAOYSA-N	406.364	5.098	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1	754899618	IHGNTHPSEICOHA-SECBINFHSA-N	422.655	5.486	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc2ccccc2n1	756229922	ZHDAVBUTWQXVAM-ZDUSSCGKSA-N	403.290	5.442	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1	759429930	CQKBJVAGRCQOHM-CQSZACIVSA-N	418.321	5.098	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	760375842	IGEKLXWFUKVSFX-UHFFFAOYSA-N	417.852	5.088	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccc(F)cc2)C(C)C)c1=S	764932360	IWFJWPQJRUCXEH-UHFFFAOYSA-N	411.550	5.059	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1	768456903	BMXXGCTXLDFAOR-UHFFFAOYSA-N	412.490	5.012	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1Cl	768466930	LLYCRAYDXAEUKN-CQSZACIVSA-N	417.003	5.123	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c1	768475451	HJSZVGDCFKABRO-FQEVSTJZSA-N	420.852	5.072	30	20	HKED	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2C1	769279945	GLXOWXIDBGHBQZ-KRWDZBQOSA-N	419.506	5.037	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCCc2sccc21)c1nc(-c2c(F)cccc2F)cs1	771593548	BKNCLBUXTUDSHT-QWHCGFSZSA-N	400.475	5.446	30	20	HKED	
N#CC1(c2ccc(COC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)cc2)CC1	777147564	JLPFGBYEXSIVQI-UHFFFAOYSA-N	421.884	5.011	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)n1	777325805	SQCHAOVCTOPIND-GVDBMIGSSA-N	419.591	5.306	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	781555522	KFLNEJFQPXIZRK-KHPPLWFESA-N	416.424	5.683	30	20	HKED	
CCCn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc2ccccc21	786931619	YGABTYMWTOQFHQ-OAHLLOKOSA-N	414.292	5.319	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1	792896785	DNBUYCYILGPZDG-NRFANRHFSA-N	413.525	5.088	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	793124229	KFLKLKKEKPBYGU-ZWKOTPCHSA-N	406.894	5.400	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1	794129923	OVRNWFJZLNCJTI-UHFFFAOYSA-N	412.518	5.650	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1	806591320	XZONJAGTGPAPBR-GFCCVEGCSA-N	411.880	5.490	30	20	HKED	
COc1cc(CNCc2sc(Sc3ccccc3)nc2Cl)ccc1C#N	810169262	NGFYJBVJUMZEBZ-UHFFFAOYSA-N	401.944	5.118	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1c(F)c(F)nc(F)c1F	914559611	RKLZIUWMKFOFFG-UHFFFAOYSA-N	411.790	5.047	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915179753	IEFPKIMODPGECH-QFIPXVFZSA-N	409.514	6.026	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccc(OC(F)F)cc2)cc1	916948681	JGXLYHDKNRXGNQ-YWZLYKJASA-N	414.452	5.082	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C2SCCS2)c1	918029498	PRRBWCGCRTZKLB-UHFFFAOYSA-N	400.569	5.394	30	20	HKED	
C#Cc1cccc(NC(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)c1	920022283	AIGYTCXPJZKFBV-UHFFFAOYSA-N	424.500	5.405	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(Cl)c4)CC3)n2)cc1	920138723	HUOAKYOZJZOFHR-SFHVURJKSA-N	408.910	5.380	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC)cc3)cc2)CCC1	1787999713	NRZGMKVRJNGICW-HSZRJFAPSA-N	417.553	5.244	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1	1791583743	GRIHOJOAHZLRKK-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(F)cc2)cc1	22730529	XUBRONYBVJLKSA-UHFFFAOYSA-O	413.563	5.487	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c2C2CC2)cc1Cl	26131349	TXNMGXNGYNHNPZ-HNNXBMFYSA-N	404.901	5.074	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccccc2)cc1	48161682	FIFGMUMWTHDYAH-VWLOTQADSA-N	411.505	5.701	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1Oc1cccnc1	72028836	VGORGBJROLMICD-UHFFFAOYSA-N	405.457	5.973	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(Cl)c1OC	98006912	VRINHSVUHRIFOT-WDZFZDKYSA-N	416.905	5.173	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc(OC)c1OC	247891732	BCHJPYXPJULPSU-UHFFFAOYSA-N	419.506	5.061	30	20	HKED	
CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2=O)cc1	303848445	FGFIIZQZQGDJEP-PXNSSMCTSA-N	421.566	5.053	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	303884911	RHNNHSDBACZENJ-UTKZUKDTSA-N	400.453	5.508	30	20	HKED	
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	432842909	XLALBYSBMKPMOG-LJQANCHMSA-N	413.905	5.462	30	20	HKED	
O=C(NCC#Cc1ccccc1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	435850345	DVRKCUPCVNYKJB-KRWDZBQOSA-N	414.349	5.050	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1	437142390	GFGZATVJNSNHAN-HNNXBMFYSA-N	420.538	5.022	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)CCc2ccc(C#N)cc2)n1	439660289	XPEWTZBJHACSKG-UHFFFAOYSA-N	408.889	5.031	30	20	HKED	
Cc1occc1-c1nnc(S[C@H](C)c2cccc(C#N)c2)n1Cc1ccccc1	442916067	UROXZXIVBDIUNO-QGZVFWFLSA-N	400.507	5.620	30	20	HKED	
COc1cnccc1-c1noc(-c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1	445624837	UUIISJAEXMGIRA-UHFFFAOYSA-N	404.813	5.125	30	20	HKED	
CCc1noc(CC)c1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	446774893	HWWIKSUEXXOTNU-GOSISDBHSA-N	422.916	5.430	30	20	HKED	
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(C(C)C)cc1	460368168	FKKNEYROQPRMCD-KNQAVFIVSA-N	412.578	5.043	30	20	HKED	
COc1ccc2sc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c(C)c2c1	461086778	XXDRKIFKBJYSNC-HNNXBMFYSA-N	405.306	5.520	30	20	HKED	
C=CCOCCCC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	463158277	WJFQTMVAYJYCDO-UHFFFAOYSA-N	421.419	5.271	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	463394899	QAMHKLBPLJTIPR-QGZVFWFLSA-N	416.452	5.124	30	20	HKED	
Cc1ccccc1COc1ccccc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464420967	KNZXUKLAJUYIMS-IBGZPJMESA-N	410.395	5.478	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(F)(F)F)CC2)cc1	464509748	ZSYNJRHRSWKFOO-UHFFFAOYSA-N	404.457	5.265	30	20	HKED	
Cc1cc(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	464509943	JCTPGGLSDHTLDT-QGZVFWFLSA-N	422.307	5.243	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2cnccc12	465126482	JODRRSSRGFWVFD-UHFFFAOYSA-N	401.413	5.512	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1Cl	465662215	MRUZSQFYWJHWDL-QMHKHESXSA-N	419.912	5.370	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CCC[C@@]12CCCCO2	468646738	YMDVVHIMKMJJOB-FPOVZHCZSA-N	418.415	5.033	30	20	HKED	
Fc1ccc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nc1	469765551	BGWUTFUQAJSJJH-CYBMUJFWSA-N	420.250	5.652	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](c2ccsc2)O1	470804703	UEBXPBXHWGRPOA-OPAMFIHVSA-N	419.506	5.406	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	480580334	QGJDRIPURIKAKA-UHFFFAOYSA-N	419.978	5.915	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc3ccccc23)n1)c1ccc(C(F)(F)F)cn1	480944290	ZDSNDZMKNJKBKW-KRWDZBQOSA-N	423.419	5.867	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1nc2ccccc2cc1Br)c1ccccc1	487250504	KJXRCXDTRBTZNZ-GOSISDBHSA-N	408.299	5.162	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1cc(Cl)ccc1Cl	488819958	SEYIKDMFGHCEJH-MRVPVSSYSA-N	420.243	5.398	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(N2CCCCCC2)cc1C	489388948	QMFXQWPOJKFLME-UHFFFAOYSA-N	411.546	5.071	30	20	HKED	
CC(C)c1c(NC(=O)CCCCOc2cccc(C#N)c2)cnn1-c1ccccc1	489434210	IIPMUDQBVDJTAC-UHFFFAOYSA-N	402.498	5.055	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1cc(F)c(OC(F)F)cc1F	491401163	OELCHXGAZFEFIY-UHFFFAOYSA-N	410.289	5.249	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N(Cc3ccco3)c3ccccc3C#N)o2)cc1	501001294	RMNWMPUQEFBVRV-UHFFFAOYSA-N	410.429	5.461	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	502559277	GRORBGDBALCEIQ-UHFFFAOYSA-N	415.371	5.042	30	20	HKED	
CCCOc1ccccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	502631739	FXBSAYBWZPVMGG-UHFFFAOYSA-N	415.493	5.764	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1	505034474	DSUFMNHJVJRHLP-HSZRJFAPSA-N	405.929	6.107	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1cccc(Cl)c1Cl	505347133	ZNZRWDHDLMIYTR-MRXNPFEDSA-N	420.296	5.180	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc1	506052967	BHNVDZNHEJRMRX-QFIPXVFZSA-N	417.484	5.569	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3nccs3)C(F)(F)F)cc2)cc1	507550513	OJZGPLRDCPDMGW-QGZVFWFLSA-N	417.412	5.035	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](COCC)C1	508463498	GZQPNKFRSLJTKC-WOJBJXKFSA-N	420.557	5.010	30	20	HKED	
COc1ccccc1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510920128	VGSLKYXEOPXRFP-UHFFFAOYSA-N	401.466	5.032	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)cc1	515624565	RQKIGDBLHVTPQN-UHFFFAOYSA-N	407.926	5.073	30	20	HKED	
Cc1nc(CCC(=O)N(Cc2ccccc2)c2ccccc2C#N)oc1-c1ccccc1	516201298	BTERQTYLJSQTBN-UHFFFAOYSA-N	421.500	5.688	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1	517288158	KPQXDOQSNQANST-OAQYLSRUSA-N	423.944	5.127	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CSc2nccn2C)c1	517521991	KOIFPZLHFYWTOQ-INIZCTEOSA-N	422.579	5.359	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](CN2CCCCCC2)C1	518260287	VOSFAVIPKAKYOE-VQTJNVASSA-N	414.619	5.201	30	20	HKED	
C[C@@H](NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl)c1ccc(C#N)cc1	518641386	MFZVNNXAOHROBE-OAHLLOKOSA-N	406.917	5.321	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1	518753719	ZCSUJHGWPROMNO-WMZOPIPTSA-N	414.600	5.101	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COCCOc2ccccc2)cc1Cl	519105392	OGMMBNGNOWDGOW-JOCHJYFZSA-N	420.896	5.030	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Cl)c1	521373515	INUHOSQDPGUUFI-QGZVFWFLSA-N	419.912	6.060	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1	521428220	ZCUPYBKDGWSCPK-CPJSRVTESA-N	419.569	6.096	30	20	HKED	
CCc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c3c2CCC3)cc1	521693983	VHHSOMKSIZWJLG-GOSISDBHSA-N	412.518	5.023	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1NC(=O)c1ccco1	521796438	DOTYGBJSRRLBMP-MRXNPFEDSA-N	419.506	5.487	30	20	HKED	
COc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1OCCCC#N	521828669	PUCISMBCWPMYFZ-XMMPIXPASA-N	412.961	6.052	30	20	HKED	
CC1CCN(c2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)CC1	523492259	JTSUZFJOYKIHGS-UHFFFAOYSA-N	415.493	5.219	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1	524197488	OPCFTZQSBASUOE-BTDLBPIBSA-N	400.853	5.776	30	20	HKED	
N#Cc1cccc(-c2nnc(CSc3nc4ccccc4n3-c3ccccc3)o2)c1	525110803	NBMLHOCHMSUYKS-UHFFFAOYSA-N	409.474	5.239	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)c1ccc(F)c(F)c1	525155710	YBIHZJVNIXJKBX-LBPRGKRZSA-N	412.249	5.185	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCCc1ccc(Cl)cc1	525399624	WLNUKTJEVRDMCC-MRXNPFEDSA-N	419.015	6.039	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc(Sc2ccccc2Cl)nn1	525643028	YGOGQZJLCFGVGI-UHFFFAOYSA-N	409.942	5.152	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)cc1	525665709	SECZGDMSXRCDGV-UHFFFAOYSA-N	422.479	5.637	30	20	HKED	
N#CCCn1cc(CNc2cccc(OCc3cccnc3)c2)c(-c2ccccc2)n1	532730840	NNWNZEWHKONLTD-UHFFFAOYSA-N	409.493	5.050	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]1c1ccccn1)c1ccc(C(F)(F)F)cc1	532761326	UIGRHFMPRUZFEX-ICSRJNTNSA-N	403.448	5.654	30	20	HKED	
C=C[C@H](CC(=O)N(CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1ccccc1	534668683	DRMSKHCJVJPXJL-OAQYLSRUSA-N	420.601	5.086	30	20	HKED	
CSc1cccc([C@H](NC(=O)c2ccc(CC#N)cc2)c2ccc(F)c(F)c2)c1	534673976	CPJWHJDEZFWFLH-QFIPXVFZSA-N	408.473	5.272	30	20	HKED	
N#CC1(CCCNc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCOCC1	538612228	XWLLAJJEFTZURF-UHFFFAOYSA-N	403.529	5.320	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C)n1	539654093	GRQYAELEUUHZQA-UHFFFAOYSA-N	412.371	5.029	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CN[C@H](C)c2ccc(C#N)c(F)c2)cc1	540706844	IVEHAHJFYIPYGZ-QGZVFWFLSA-N	405.473	5.524	30	20	HKED	
CCCc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cnn1C1CCCC1	543129423	MHIWBDTYYKVSRR-GOSISDBHSA-N	405.329	5.252	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1C	543861339	JLMWXSSOWXCDDT-PMACEKPBSA-N	422.532	6.304	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	548958638	CAONKVCEUXWSDQ-INIZCTEOSA-N	417.534	5.186	30	20	HKED	
C[C@H](Nc1cc(N[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1C#N)c1cccc(O)c1	553229999	FWLWOQLHMHHAKH-GJZGRUSLSA-N	418.453	5.224	30	20	HKED	
Cc1c(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)sc2ccc(C#N)cc12	556961024	GVHAJLKGKAMEPS-QGZVFWFLSA-N	406.511	5.099	30	20	HKED	
CC1(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1cccs1	562026464	SIKCGHMXKDDDNZ-GOSISDBHSA-N	408.552	5.282	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1c(F)cncc1F	562121755	OVVVFGBVHSHRCO-CQSZACIVSA-N	408.408	5.215	30	20	HKED	
Cc1cc2cc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)ccc2[nH]1	565122478	APKZPYMZPVEUKC-UHFFFAOYSA-N	424.504	5.443	30	20	HKED	
Cc1ccccc1[C@@]1(F)CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	565626120	NOMYIMIZZJISNT-XMMPIXPASA-N	416.456	5.157	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)c1ccc(C#N)cc1	571429225	KILZYGMYDPRVJD-OAHLLOKOSA-N	401.432	5.260	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cc(Br)c(OCC)c(OC)c2)c1	589385022	VQBRSIRXIDCDSF-UHFFFAOYSA-N	420.303	5.064	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1cccc(Cl)c1	592974348	UNAICWAEFKAFBP-HNNXBMFYSA-N	410.861	5.073	30	20	HKED	
N#C[C@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc2cc(F)ccc2s1	592974413	WOEYFRMSJQIESP-GFCCVEGCSA-N	415.371	5.492	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)cc1	594569486	XEHGSRGSPYNIJQ-HNNXBMFYSA-N	404.491	5.653	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N(CC(C)C)c3ccc(C#N)cc3)s2)cc1	603529887	QXSFHEJSSIOFAA-UHFFFAOYSA-N	405.523	5.302	30	20	HKED	
O=C(CSCc1ccc(F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	603573276	ZRQUELUVSUDBJL-IMRBUKKESA-N	417.390	5.085	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc4c(OC(F)F)cccc4[nH]3)cn2)c1	603626873	HCPKZCMRXCRDRE-UHFFFAOYSA-N	420.375	5.081	30	20	HKED	
Cc1nc(NC(=O)CSc2ccc3c4c(cccc24)CC3)sc1SCC#N	603775098	WLYFZZQVIJWSDK-UHFFFAOYSA-N	411.577	5.050	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)s1	604029362	UQSWTETVZQOZSY-UHFFFAOYSA-N	414.861	6.321	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(C)c1	604086873	OJZBFYWQDRICEN-GOSISDBHSA-N	400.482	5.587	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2)cs1	604171571	UMNSCEJMDUZBMQ-MWTRTKDXSA-N	419.550	5.271	30	20	HKED	
COc1cc(COc2ccc(C(C)=O)c(F)c2)ccc1OCc1cccc(C#N)c1	604839794	QAUCOCKDVGCSAX-UHFFFAOYSA-N	405.425	5.067	30	20	HKED	
Cc1csc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	609046450	DUQHJLZXBKIKNT-ZDUSSCGKSA-N	412.902	5.652	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cc2ccccc21	609175519	XNNBPDCRLUBASK-UHFFFAOYSA-N	417.415	5.274	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1	609296995	SPWNVLYASUMTHJ-UHFFFAOYSA-N	404.426	5.194	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)cc2)c1	609434424	IJIQTBADYMOZBN-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccc4F)cs3)cc2)nc1	609502210	RAOCYPNYEDYGML-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	609600928	DGYQGTUPYJDLJC-QFIPXVFZSA-N	412.493	5.293	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)o1	610335132	ZQBZHYXMZYIPOU-UHFFFAOYSA-N	405.429	5.588	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cccc(C#N)c1	610404809	NGMHFTDETKOAAX-XOBRGWDASA-N	420.513	5.259	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)c1cccc(C#N)c1	610406753	KSSXRONDBAKRKP-INIZCTEOSA-N	415.459	5.792	30	20	HKED	
CCn1c(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)nc2cc(C#N)ccc21	611211767	LZXAJXCNGBLLIQ-UHFFFAOYSA-N	423.448	5.241	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@H]2CCCc3cc(C#N)ccc32)on1	611521888	KTHMBEQWSYVJRI-QHCPKHFHSA-N	409.489	5.542	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)CCCC2)c1nc2cc(C(F)(F)F)ccc2s1	613404158	OACCLRASEUURBH-GFCCVEGCSA-N	406.454	5.745	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nc2ccccc2o1	614439758	HIIOVMJUFYDRMA-AWEZNQCLSA-N	423.291	5.809	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCC2(c3cccc(F)c3F)CCCC2)c(Cl)c1	617418476	RLMPJAVOZQCDDF-UHFFFAOYSA-N	409.263	5.385	30	20	HKED	
C=CCn1c(SCc2ncc(C(C)(C)C)o2)nc2sc3c(c2c1=O)CCCC3	642141388	UPYLPFOLFLXKBA-UHFFFAOYSA-N	415.584	5.101	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	642478287	SKRMZTBMSJEEDL-UHFFFAOYSA-N	406.511	5.612	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC2(CCOCC2)[C@@H]1C)c1ccc(C(F)(F)F)cc1	680388609	UVUPHNAHFKMXRM-LPHOPBHVSA-N	410.480	5.313	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	682777171	HEOYSSUUPJLPSB-GJZGRUSLSA-N	422.413	6.133	30	20	HKED	
N#CCCCOc1cccc(/C=C(/Cl)c2nc(O)c3cc(Cl)ccc3n2)c1	726743458	IPYKLQJRIDGXNC-GZTJUZNOSA-N	400.265	5.408	30	20	HKED	
CCc1ccccc1NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	727979026	UAJZEZREGVHKPQ-UHFFFAOYSA-N	421.953	6.162	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1sc2cc(Br)ccc2c1Cl	729827689	QVMYXNVBVFLJJY-UHFFFAOYSA-N	421.703	5.450	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1csc2ccccc12	730029053	DYCBGNWWJICWCX-MRXNPFEDSA-N	405.523	5.087	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc2ccccc12	731063779	RXCVNJFSYDLKJJ-MRXNPFEDSA-N	404.491	5.030	30	20	HKED	
Cc1cccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2Cc2ccco2)c1	731158250	ZMPMRLSTYWIZMJ-UHFFFAOYSA-N	416.506	5.090	30	20	HKED	
N#C[C@@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1cccc(C(F)(F)F)c1	731645712	QWTWPPFTAJMGRF-OLHLWXQYSA-N	415.802	5.301	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCc2nc(-c3ccoc3)no2)c1	735165287	FUYMMIOJEXOCKH-UHFFFAOYSA-N	421.796	5.004	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1	739155503	QUTYCQADNPDEGN-WFASDCNBSA-N	408.807	5.200	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	741646223	PCJVJDZBBGGFBP-UHFFFAOYSA-N	408.498	5.266	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)cnn1-c1ccc(C#N)cc1	741852342	LWVVWDJLEMMSQU-DHZHZOJOSA-N	414.465	5.211	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1ccc2c(c1)COC2	742436627	MJKACRXBYZBINL-VOTSOKGWSA-N	412.308	5.499	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1C(F)(F)F	744029529	UWMFUFDFJNSYEK-TZMCWYRMSA-N	408.807	5.200	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(c4ccccc4)CC3)n2)cc1	744062625	TYPRRCPYIPIROS-ZNIKRAEXSA-N	416.546	5.969	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)n1	747193080	DMDFRBHXHCJUFA-NQIIRXRSSA-N	410.539	6.115	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3ccc(F)cc3C2=O)cs1	749005552	LMJXLIPVFWIHFS-ZROIWOOFSA-N	412.873	5.443	30	20	HKED	
N#Cc1ccc(CN2C/C(=C/c3ccsc3)C(=O)/C(=C\c3ccsc3)C2)cc1	749454107	WFGQQEFEKMNVEI-KGIZCEIGSA-N	402.544	5.233	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC	749969429	GOBOTRMEBHSMND-GQFJFNLSSA-N	424.547	5.150	30	20	HKED	
C[C@@H](OC(=O)COc1ccccc1C#N)c1ncc(-c2ccc(Cl)cc2Cl)o1	753321715	PGYADPYDRTUMGF-GFCCVEGCSA-N	417.248	5.203	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)/C=C/SCc2ccco2)cc1	753980253	BXDVMYNRRGYCSF-ZRDIBKRKSA-N	406.482	5.266	30	20	HKED	
CCOC(=O)/C(=C\c1ccc(O[C@@H](C)C#N)cc1)c1nc(-c2ccc(C)cc2)cs1	756623124	RHKDCJVSNZPSEA-WBRURWICSA-N	418.518	5.513	30	20	HKED	
O=C1/C(=C/c2cnc(C3CCC3)s2)CSC/C1=C/c1cnc(C2CCC2)s1	760264245	QYXJCVVDKKMOMX-BSHIDLADSA-N	414.621	5.918	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)ccc2F)cs1)c1ccc(F)cc1F	763292098	INVRWUDMXFYXAE-VMPITWQZSA-N	416.424	5.450	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)c1cc(Cl)ccc1C#N	764272204	LWBLYLSFDMYONW-UHFFFAOYSA-N	420.296	5.489	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2c1	770416461	MNUYQLLCWSINSH-INIZCTEOSA-N	420.683	5.198	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccccc2OC(F)(F)F)ccc1OC	772985042	IWUUEYAQRQJGTI-GDBMZVCRSA-N	408.420	5.126	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(C#N)c(Cl)c1	774147569	CSGQTCSLZJKLOQ-UHFFFAOYSA-N	413.905	5.154	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc3c(ccc4ccccc43)o2)ccc1OC	776164793	KEHPMNVPCJHGIV-YLJYHZDGSA-N	414.505	6.126	30	20	HKED	
O=C1/C(=C/c2ccc(OCc3ccncc3)cc2)CCc2ncc(C(F)(F)F)cc21	777468508	SLBFSBZQZHTDBI-GZTJUZNOSA-N	410.395	5.287	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1	778597786	PLGAIXJVCBEHBA-LJQANCHMSA-N	423.375	5.104	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccnc(Cl)c2)cs1)c1ccc(F)cc1F	782195361	WZZPSDXTFDJHFI-HWKANZROSA-N	419.840	5.050	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c1ccccc1C(F)(F)F)c1ccccc1	787032652	DNGBWHIEFKJULO-LZSQBBDCSA-N	414.427	5.085	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1	795959394	ZBDDGYODOYLZPD-UHFFFAOYSA-N	406.498	5.629	30	20	HKED	
N#C[C@@H](C(=O)CCCC1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	798815981	DDIWZLBDVBPOEU-INIZCTEOSA-N	423.365	5.890	30	20	HKED	
O=C1/C(=C\c2ccc(-c3ccccc3Cl)s2)CS(=O)(=O)c2ccccc21	873892747	KCNLLXWMFUNYFX-QBFSEMIESA-N	400.908	5.122	30	20	HKED	
CC(C)N(C(=O)CSc1cc(C#N)ccn1)c1ccc(Nc2ccccc2)cc1	915795264	HFXYJCUDIQYDAR-UHFFFAOYSA-N	402.523	5.231	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)c2)c1	916884094	ZAABDFRLUUOCFM-QFIPXVFZSA-N	418.880	5.189	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(F)cccc2s1	916928458	LTCLQIDBQBSVEP-LLVKDONJSA-N	407.253	5.308	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1Cl	916938005	KBMLPQADPNCYJU-RLGIIYIFSA-N	410.901	5.007	30	20	HKED	
CCCOc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916972275	MDROBXVPRDMVCN-FQEVSTJZSA-N	406.507	5.163	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCc3cccs3)cc2)CCC1	1786950664	RKKASNNNPJAZLJ-UHFFFAOYSA-N	418.509	5.026	30	20	HKED	
C[C@H]1C[C@@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1	1790428018	SXEPXRJUIVTEFS-NPMXOYFQSA-N	421.928	5.005	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1	1821920183	HLLLPAXZNRQCPR-JTSKRJEESA-N	416.525	5.081	30	20	HKED	
Cc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)c1	10167380	GCAOSBDPNRNWFX-UHFFFAOYSA-O	418.586	5.016	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(OC)c2)cc1	11261045	KYQMRNCQCSZOTP-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(C(C)C)cc1	22728616	RNDNWZGFVPWMIE-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1	26228653	BYGBFXLDEQLAQA-AQTBWJFISA-N	411.914	5.401	30	20	HKED	
CCCCN/C(S)=C(/C(=O)c1cc(C)[nH]c1C)[n+]1ccc(C(CC)CC)cc1	27324336	NHVWLBVPXGWZRL-UHFFFAOYSA-O	400.612	5.151	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(OC(F)F)cc2)cc1	32523271	IFWVQMCIUNILFD-UHFFFAOYSA-N	424.472	5.382	30	20	HKED	
N#C[C@H](C(=O)CSc1nc2ccccc2s1)c1nc(-c2ccccc2)cs1	46582152	QQJHGCOSABIHQL-CQSZACIVSA-N	407.545	5.388	30	20	HKED	
C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48125742	RUMJVCPTJDORMJ-HNNXBMFYSA-N	404.495	5.097	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(OC)cc1	53064554	VXHRWCXBZJUMMK-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
CC(C)NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	54302583	REKDGSCZOSFEKN-UHFFFAOYSA-N	415.518	5.100	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	58559744	VEIPGHOCRYZFCQ-OAHLLOKOSA-N	409.433	5.102	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)c1	65735586	HJDREKAOZZEXRM-HSZRJFAPSA-N	420.896	5.781	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	72030821	ARBHYHNLMMNCDW-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc12	117217737	WPNUTVXMNULUOS-UHFFFAOYSA-N	409.445	5.468	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3cccc(C#Cc4ccccn4)c3)cs2)c1	248122988	YLADYIMNWHHSFT-UHFFFAOYSA-N	409.514	5.095	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3cc(C#N)ccc3C(C)=O)CC2)n1	302722084	LTCIFSPAKCGORL-UHFFFAOYSA-N	417.534	5.277	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cccc2ccccc12	303367624	JBEVUQMBCNTIKY-GOSISDBHSA-N	403.551	5.305	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(COc4ccc5ccccc5c4)o3)nc12	429565904	IQJAUOXDGGCWNE-FQEVSTJZSA-N	422.444	5.082	30	20	HKED	
N#CCCC[C@@H](c1ccccc1)N1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C1=O	432027986	SKTVAIAZJAZEFK-ROUUACIJSA-N	402.281	5.021	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)s1	433182081	ZLWWQQTVIPBOQT-PMACEKPBSA-N	419.554	5.637	30	20	HKED	
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[S@](=O)CCCCC(C)(C)C#N	436097242	ICTABTJFTQLRHA-CFJPQMKISA-N	413.465	5.285	30	20	HKED	
CCN(C(=O)c1cc(C#N)cs1)[C@H](c1cccnc1)c1csc2ccccc12	437568985	PKIKZNSXWFIIHF-OAQYLSRUSA-N	403.532	5.481	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)oc1C	437851406	SBUIXYQOMXHSDF-FGZHOGPDSA-N	400.482	5.262	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccccc1S[C@H](C)CC#N	438074822	PNRIEFVIUVHTPP-CTNGQTDRSA-N	409.599	6.264	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	438644410	WOCNLCAHFCESDI-UHFFFAOYSA-N	420.900	5.841	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1	438838705	DFMSXKBUOVMNTF-JXFKEZNVSA-N	422.529	5.663	30	20	HKED	
CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	439643913	HBPFJGAWDYOPOO-OAHLLOKOSA-N	417.440	5.131	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)Cc1nnc(-c2ccc(C#N)cc2)o1	440329503	UBGHSTJUEPKZMQ-UHFFFAOYSA-N	423.451	5.134	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1Sc1ccccc1)c1nc2ccccc2n1C(F)F	442675847	ABRNZWXUPOJIDI-QGZVFWFLSA-N	419.456	6.073	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c2ccccc21	443948286	CPNYPUBGQMKBHJ-UHFFFAOYSA-N	410.477	5.730	30	20	HKED	
CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	447057593	QPMACELRXRPNDR-NQIIRXRSSA-N	411.571	5.132	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CCCC[C@H]1C(F)(F)F	463434910	GUCDBMPEPREULN-INMHGKMJSA-N	413.509	5.072	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1c(F)cc(C(F)(F)F)cc1F	464277223	UTSUIRLRKBRYMW-CYBMUJFWSA-N	415.255	5.546	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1-c1ccccc1	464467293	NAQRMSVGBHDROX-KRWDZBQOSA-N	412.415	5.110	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CCCc3sccc32)cc1OC	466446510	QJYYWJBFNXOFED-INIZCTEOSA-N	408.361	5.251	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(O[C@H]2CCOC2)cc1	469101656	VOCBWCLRCLUVHM-QHCPKHFHSA-N	414.461	5.079	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1	469224352	JMBHRPDBRTYXBI-AWEZNQCLSA-N	402.325	5.749	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)sc21	470838327	BKUOPBOPKSZEIT-UHFFFAOYSA-N	420.510	5.417	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C(F)(F)F)o1	471719715	BAZDLRGCLPCCBT-UHFFFAOYSA-N	414.383	5.504	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)c3ccccc32)cc1Cl	475342908	MLGFKUCBQGVNRG-SFTDATJTSA-N	400.865	5.304	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1cc(C#N)c[nH]1	479799533	BFBBQJQCAFRSSR-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482454033	XJSXGDRYKVVIBF-SZVBFZGTSA-N	423.385	5.050	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@H](C#N)c2nccc3ccccc23)c1	483199764	PQKJMFBTFWTCGX-JOCHJYFZSA-N	423.859	6.042	30	20	HKED	
Cc1ccccc1-n1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1	483250441	CMHYKCUHJGQKPD-HNNXBMFYSA-N	420.444	5.073	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1	483441739	SMGGTFLVQVKEKZ-QFIPXVFZSA-N	401.466	5.133	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)c2)cc1	483444716	XEPHRSHAKPASLA-RCZVLFRGSA-N	412.489	5.248	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc(Br)s3)o2)cc1	489774045	IGKXZEDCJYRWMH-UHFFFAOYSA-N	409.330	5.418	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1	489968283	WTIOCEJIKOIZQQ-IBGZPJMESA-N	420.509	5.413	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2ccccc2F)cc1	490646219	FMBFFZRIVZRAPP-UHFFFAOYSA-N	418.468	5.268	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)c1ccccc1	498253523	RAIIKZNOGJCGLL-RTWAWAEBSA-N	416.468	5.078	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(F)cc1OC(F)F	500196815	IKWDCOGHROJRGK-UHFFFAOYSA-N	411.273	5.150	30	20	HKED	
COc1cccc(C2=CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)c1	501645940	MMZAOFNOUPVSMD-UHFFFAOYSA-N	410.473	5.093	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3OC(F)F)cc2)cc1	502217901	WVBMGEAGZQFUJV-RTBURBONSA-N	401.413	5.022	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1	503355349	BEOGDJFOYIEJAI-UHFFFAOYSA-N	403.486	5.176	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1	503838172	BWDGNFXICVXHQC-UHFFFAOYSA-N	405.910	5.265	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C	505004133	ATLXRRGLCZKAAW-LJQANCHMSA-N	400.526	5.096	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1/C=C\c1ccccc1	505884664	JRUNNXNLTZWPPR-OSUSHOSWSA-N	405.567	5.197	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1	507920406	VBDGHZPMIMMMME-LYBIEXDWSA-N	402.494	5.010	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)NCCCCC#N	509246425	LENAHFITNUURSF-UHFFFAOYSA-N	418.419	5.082	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	509853459	MGWVITCMIOMQSJ-HXUWFJFHSA-N	413.521	5.865	30	20	HKED	
CCOc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510915261	JEPGZBSYTNKAID-UHFFFAOYSA-N	415.493	5.722	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1OC	515008336	DYZFDHCRLQEDKI-UHFFFAOYSA-N	421.522	5.070	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1Cl	515130373	ZVLFTYSGOPXHLO-IBGZPJMESA-N	412.823	5.849	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	518148306	QHNOHPGIECPEHF-ZIAGYGMSSA-N	407.461	5.396	30	20	HKED	
CSCc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	520538052	XXHWLRHDNZOLKH-QHCPKHFHSA-N	402.519	5.123	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C(F)(F)F	520797302	BVABDLMPKCVTDM-GFCCVEGCSA-N	414.474	5.066	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1	520889814	TXEXTSNLVIKSQS-QHCPKHFHSA-N	419.569	5.241	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCCCOc2ccc(Br)cc2)cc1	521264915	PZAVIRZMQCFLHC-UHFFFAOYSA-N	415.331	5.438	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)cc1	521746612	LYTKCFMAXHFFJQ-GOSISDBHSA-N	415.493	5.422	30	20	HKED	
C[C@@H]1SCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H]1c1ccccc1	522794596	HEMUFJXAKJXQCQ-SBUREZEXSA-N	418.518	5.049	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc3ccccc3o2)cc1	523584969	HNETWUIBAFSEFK-UHFFFAOYSA-N	413.452	5.356	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccc(Cl)s2)on1)c1cccc(Cl)c1Cl	524572702	OHGXCBUGNWDYFG-NSHDSACASA-N	412.685	5.358	30	20	HKED	
Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	537681992	FTRAOSHRBGDEFF-IBGZPJMESA-N	405.567	6.019	30	20	HKED	
O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1	538728472	YKELUDZIIQSTOU-UHFFFAOYSA-N	419.340	5.357	30	20	HKED	
CCC[C@H](NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1	539243220	XGPQCJPHXDFQAF-QHCPKHFHSA-N	418.541	5.078	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	541091756	NDIULROKQQDRFC-AWEZNQCLSA-N	419.428	5.739	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N1CCC(CC#N)CC1	541966521	CYHFBZYNMRYERG-CQSZACIVSA-N	402.951	5.168	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(NS(C)(=O)=O)cc1	542107509	UTIHALBTSLHIFG-MSOLQXFVSA-N	419.550	5.009	30	20	HKED	
Cn1ccc([C@H](NC2CCC(Oc3ccccc3C#N)CC2)c2ccc(Cl)cc2)n1	543599745	ZMOFHPFHYPJODV-SLXFGWRHSA-N	420.944	5.014	30	20	HKED	
N#CC1(CCC[S@@](=O)Cc2ccc(Oc3ccccc3F)c(F)c2)CCOCC1	543784156	FMGCGKVHGODPTO-GDLZYMKVSA-N	419.493	5.106	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1	546790976	BVGHLAPXPQPPGV-GOSISDBHSA-N	419.308	5.126	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(-c2ccc(F)cc2)nc1C	557600763	OVMRUZPATWWCPP-UHFFFAOYSA-N	412.534	5.254	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCn3c(cc4ccccc43)C2)cc1	558313723	AEJVOKWSMUBMPY-UHFFFAOYSA-N	422.488	5.743	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC2(CC(OCC)C2)C1)c1ccc(C(F)(F)F)cc1	561631256	NIHDNZXVZOGKOP-OBXNSHGQSA-N	410.480	5.313	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	562109186	QFNYLFRXQPWJJW-UHFFFAOYSA-N	412.902	5.514	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1	564249842	BRGZATISOGPYJD-HNNXBMFYSA-N	403.429	5.181	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OC1CCC1)c1nc(-c2ccc(Cl)cc2)cs1	605362488	HCYWHUAJWRQPDY-SFHVURJKSA-N	408.910	5.885	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1	608809635	LDVWGCUXXXBOLE-FCHUYYIVSA-N	417.306	5.274	30	20	HKED	
CC(C)C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1	608864330	GPZSDIGIOYGIPE-FQEVSTJZSA-N	403.448	5.506	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCc2ccccc2C1	609080470	YOMDUYIFHSTGMW-QHCPKHFHSA-N	411.505	5.125	30	20	HKED	
COc1cccc2c1OCC[C@H]2NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209837	PLQNOHJEWGEMFR-OAQYLSRUSA-N	415.449	5.004	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1	609318410	UWPLWXSGQYPCJC-CQSZACIVSA-N	407.499	5.044	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(Cl)c1	609371115	CBHGGCJNKYGHRB-IBGZPJMESA-N	411.288	5.910	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1	609434887	XKFHVOQJXIZNPT-GPMSIDNRSA-N	409.555	5.994	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2ccccc2OC)c1	609555900	VYZQLZVOAOHHGD-UHFFFAOYSA-N	417.465	5.491	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cccc(C)c2C)cc1C	609667988	CEUIQTIQZWHNGC-HXUWFJFHSA-N	400.526	5.188	30	20	HKED	
COC(=O)c1ccc(F)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	609723008	TXQAWMCUCZLAJP-UHFFFAOYSA-N	424.815	5.182	30	20	HKED	
CC(C)C[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	610121657	WXADZKXPAYWBEP-IBGZPJMESA-N	422.579	5.470	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN[C@H](CCC#N)c2ccccc2)cs1	611407021	UTWREKABTWWTDO-HSZRJFAPSA-N	418.566	5.579	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cnn1-c1cccc(Cl)c1	613292647	PFVSNBOAYBMZDT-GOSISDBHSA-N	400.869	5.126	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5n4C(F)F)cc3c2C1	613401545	DAVUVLVUPFXHJO-SUMWQHHRSA-N	418.447	5.528	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622477960	QQEWVBDPKALEMI-SJKOYZFVSA-N	421.356	5.833	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nc2cc(F)ccc2s1	677564252	CBVDFYJXGRGXKI-KRWDZBQOSA-N	424.460	5.536	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	679325761	HSVGPSBBXHCOCK-UHFFFAOYSA-N	406.429	5.293	30	20	HKED	
C=CC1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)CC1	680522691	AIIDIQVVIOVUQV-HNNXBMFYSA-N	405.258	5.050	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc2cc(F)ccc2s1	683809034	GGLJYFFJQAUWKJ-CYBMUJFWSA-N	417.387	5.442	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc2ccccc2n1	684011142	OOSACRVOUJWYQF-KRWDZBQOSA-N	401.372	5.190	30	20	HKED	
COc1ccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1[N+](=O)[O-]	730150631	VZFGTCUYOBSJOO-GXDHUFHOSA-N	410.426	5.079	30	20	HKED	
C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	731256570	MWKVJXJRWLIUMY-MRXNPFEDSA-N	418.415	5.037	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)OC(=O)c1ccccc1OCC#N	734729400	NOHVUVSUIYQFAB-CQSZACIVSA-N	412.898	5.592	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCCC[C@@H]2[C@@H](C)CC)c1=S	738058822	VOXSFHKGLDTHCB-PKOBYXMFSA-N	400.592	5.134	30	20	HKED	
O=C(/C=C\c1cnc2ccc(Br)cn12)c1c[nH]c2cc(Cl)ccc12	740765251	TXAZIHKKGZTTKP-HYXAFXHYSA-N	400.663	5.128	30	20	HKED	
Cc1ccc2c(CNc3ccc(Oc4ccccc4C#N)c(F)c3)cc(=O)oc2c1	742463889	BBQONOVTZAQFFV-UHFFFAOYSA-N	400.409	5.517	30	20	HKED	
COc1ccc([C@H](C)CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	743093380	SYIVNZYXINNBRD-KBMIEXCESA-N	413.521	5.666	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3cscn3)c2)cc1	744033243	NXBDXUXCOGMLFB-FOIQADDNSA-N	403.507	5.285	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	749006126	YMICKEUPCQIVDW-UHFFFAOYSA-N	403.551	5.531	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CCC2	751109277	QCQOHHKTJLYWCD-ZZEZOPTASA-N	424.548	5.163	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)ccc1OC(F)F	752753705	KAAPLYKOPSCYSY-LBPRGKRZSA-N	422.815	5.717	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C\c3ccc(-c4cccc([N+](=O)[O-])c4)s3)ccc21	754690404	UQNARMMGAIPRLB-YFHOEESVSA-N	418.474	5.128	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccncc1	759216302	ABCPGIKUKWJKOU-CZVHJPAMSA-N	405.567	5.376	30	20	HKED	
C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	762690687	MBAKYBWWIVQKJB-MBSDFSHPSA-N	416.546	5.093	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cc(Br)ccc2F)cc1OCCCC#N	763120720	BDWBNGWENPTPNT-XBXARRHUSA-N	418.262	5.175	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)n1	772674268	BPWDQOKBFOPPEX-SIKLNZKXSA-N	401.535	5.247	30	20	HKED	
N#C[C@@H](COC(=O)Cc1csc(-c2ccc(Cl)s2)n1)Cc1cccs1	772735014	RVFMISVNQCDNFB-NSHDSACASA-N	408.957	5.055	30	20	HKED	
N#C[C@@H](NC(=O)c1c(C(F)(F)F)ccnc1Cl)c1cccc(Cl)c1Cl	776880441	AGTWGXVPEWCCKA-SNVBAGLBSA-N	408.594	5.055	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1	780151176	NNHZXXYSXKAVLF-ZDUSSCGKSA-N	414.433	5.560	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](COCc1ccccc1)c1ccccc1	780675665	FQIRBPJKZHBODQ-XXBNENTESA-N	415.493	5.057	30	20	HKED	
Cc1cc2ccc(Cl)cc2nc1NN=Cc1c(C(F)(F)F)nn(C)c1Cl	781594818	HLNUAHBVBGPMIF-UHFFFAOYSA-N	402.207	5.048	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1	781873985	TXZLBZUPRORCKK-UHFFFAOYSA-N	414.502	5.043	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)ccc1OC	788588676	NFMDLKRLYMIZPW-MXASKKJJSA-N	404.963	5.373	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	789450296	NBUBZRJQAXWPAF-GOSISDBHSA-N	415.578	5.307	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1c[nH]c2cc(Cl)cc(Cl)c12)CCCC3	790142812	JBABHGHUGPKQGZ-UHFFFAOYSA-N	417.321	5.007	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C\C(=O)c1ccc(-c2ccncc2)cc1	794701515	MNLRPUHSNBJJAY-KTKRTIGZSA-N	400.869	5.187	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCC[C@H]([C@@H]4CCOC4)C3)nn2)c1	794982256	UZAWUFZFNYAQFS-GOEBONIOSA-N	404.436	5.157	30	20	HKED	
COc1cc(C=NO[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)ccc1OC(C)C	852088334	IZDWNYRJOGDSJP-INIZCTEOSA-N	418.921	5.130	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)CC3	915349960	CRGVMIVAQLNSCV-HSZRJFAPSA-N	420.516	5.722	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)c2cc(F)ccc2F)cc1	916586825	YIYRRXJEOQUYHL-UHFFFAOYSA-N	423.440	5.168	30	20	HKED	
COc1ccccc1-c1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)no1	918162018	RTAAWFLKPTZBGF-UHFFFAOYSA-N	401.447	5.203	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3SCC)CCC2)cc1	1791243968	KVDFJOAXMDCNDP-KRWDZBQOSA-N	423.582	5.154	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccccc1F	11170271	KGFOUMINGBKAPL-UHFFFAOYSA-O	415.460	5.005	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1F	15247826	GYNAJISUDYCLMM-UHFFFAOYSA-O	421.561	5.770	30	20	HKED	
N#CCc1ccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)cc1	16495824	FPYHVDKKHNAZAP-UHFFFAOYSA-N	412.514	6.185	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1-c1ccoc1C	21276134	JXDLHFFQKFFQKF-UHFFFAOYSA-N	424.551	5.457	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(C(CC)CC)cc1	22804367	RUULRWOFXVVSIQ-UHFFFAOYSA-O	410.028	5.531	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2noc3ccccc23)cc1Cl	46861768	YRXUWBWOCDAEPH-LJQANCHMSA-N	401.853	5.318	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c1C#N	56133039	YAVZYQSNOZJCBV-UHFFFAOYSA-N	404.495	5.077	30	20	HKED	
C=CCN(C(=O)c1cccnc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	57885099	QFXCNCNAHJNDER-UHFFFAOYSA-N	424.740	5.998	30	20	HKED	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCCC#N)c1	59771288	DOWCQPZVEPVURO-LJQANCHMSA-N	400.478	5.442	30	20	HKED	
N#C[C@H](C(=O)c1coc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	303810028	NJVAZVOMLYDHON-MRXNPFEDSA-N	405.866	5.609	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	431975161	VYWKAEPARFYJAR-HJOGWXRNSA-N	405.542	5.197	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H](c4cccc(Cl)c4)C3)s2)cc1	432639595	ZLBYLENPLQCIOJ-GOSISDBHSA-N	422.941	5.280	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1cccnc1Oc1ccc(Br)cc1	432841546	UZXGOFXVZMJNFG-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCCO)Cc1cccc(Cl)c1	434205959	MMKNANJODSHTEI-INIZCTEOSA-N	417.962	5.008	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	436329579	BQFFHORCORTWQQ-AGHHOFFYSA-N	409.917	5.098	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	437866564	MQTWFPKIPAIRNK-UONOGXRCSA-N	408.445	5.506	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(N2CCCCCC2)c1	438269419	IIMFXHOXEBLHNY-RPWUZVMVSA-N	402.542	5.371	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	438454575	APRFKUWNQSJDCT-GGAORHGYSA-N	407.583	5.940	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439307615	QPHXFUYPUDTLSX-QFIPXVFZSA-N	412.493	5.414	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccccc1Cl	439671403	IXCYJFYBONBYBP-AWEZNQCLSA-N	409.848	5.582	30	20	HKED	
CCCc1c(NC(=O)c2cc(C)ccc2Br)cnn1-c1cccc(C#N)c1	440093619	TYZXBXNXDWXIQZ-UHFFFAOYSA-N	423.314	5.020	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1	442674031	VAPLKZITDXOTSF-MRXNPFEDSA-N	417.317	5.924	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CCCC1(C)C	444898680	PDCWLFNWFQJPPQ-ZTOMLWHTSA-N	410.583	5.593	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(c3cc(C#N)ccc3C(C)=O)C2)n1	447695271	WDDFXCVLPDQGHA-GOSISDBHSA-N	417.534	5.277	30	20	HKED	
COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	463150797	YCFMKQYLQNMFDX-UHFFFAOYSA-N	410.433	5.002	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1Cl	463379019	YFWAHXIASMKZAI-NQIIRXRSSA-N	424.978	6.026	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	463711972	SXFHSECCQULDKA-UHFFFAOYSA-N	416.477	5.073	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	467169515	MKXDUKCZEQOLHE-OAQYLSRUSA-N	421.541	5.002	30	20	HKED	
O=C(c1ccc(C(F)(F)F)cc1Cl)N(CCC(F)(F)F)CC(F)(F)F	468532246	OYNJBDJPAADXTQ-UHFFFAOYSA-N	401.656	5.316	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CNc2ccccc2SCCC#N)ccc1Cl	470562734	JLQJGPJSANQAHP-UHFFFAOYSA-N	412.946	5.013	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)c(C)c2)n1	473798342	MTVOCSJLRYZTAS-UHFFFAOYSA-N	423.567	5.254	30	20	HKED	
CCCc1c(NC(=O)N(C2CC2)[C@H](C)c2ccccc2)cnn1-c1cccc(C#N)c1	482511352	OZXYQQVDDXUICQ-GOSISDBHSA-N	413.525	5.454	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)c1cccc(SCC#N)c1	484881235	HPEXAOHEBBVHDX-UHFFFAOYSA-N	407.358	5.429	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ccc2ccccc2n1	486166809	QMIKYWBREKUOHG-UHFFFAOYSA-N	421.500	5.565	30	20	HKED	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	486506371	QQKBPBRSGOAAEQ-UHFFFAOYSA-N	413.521	5.074	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(Br)c2)cc1	487841134	QPEUDCSZFIKBRM-IBGZPJMESA-N	414.303	5.088	30	20	HKED	
C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(OCC2CC2)c(F)c1	502172579	YUEFABVRINVAQC-KRWDZBQOSA-N	419.500	5.046	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(Br)cc1	503550647	IEUHEHZOPNIFPW-MRXNPFEDSA-N	419.367	5.075	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1	504712307	OCJOGNYFPLVCGY-UHFFFAOYSA-N	402.519	5.279	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1c(Cl)cccc1Cl	505507090	PZMVSVCUJCGFDH-MRXNPFEDSA-N	420.296	5.180	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3ncsc3c2)cc1	505618193	HOLHKLZAWBLHDY-UHFFFAOYSA-N	401.447	5.221	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1cccc(C(F)(F)F)c1	505986973	MPBZWWUXVPCSJH-MRXNPFEDSA-N	423.316	5.267	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cccc(C)c2)cc1	507846018	UKOLJIYDEKZJLJ-KRWDZBQOSA-N	401.466	5.107	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc([C@@H](C)Oc2ccccc2C#N)n1	508667666	UOYUGOGRTRWAIQ-BEFAXECRSA-N	411.889	5.293	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)[C@@H](C)c1ccc(C#N)cc1	509563071	CLUKCBCHXAHCMQ-KRWDZBQOSA-N	410.477	5.293	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CC(C)(C)NC(C)(C)C1	510357773	XMCMXOQBFYHWRH-UHFFFAOYSA-N	406.530	5.090	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccncc1F	512223426	DAYQQSMHTJIOTF-BMIGLBTASA-N	423.332	5.293	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	513676542	GURLARXZQSRPPZ-CQSZACIVSA-N	409.923	5.872	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1	513807377	AFOIZJDGALJOJN-QFIPXVFZSA-N	415.493	5.549	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(-c2ccccc2)cs1	516074881	HUEPALADKWJEHX-QGZVFWFLSA-N	404.882	5.139	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(CSc3ccccc3)cc2)n1	516795590	ONNDHVXCYFNLNU-SFHVURJKSA-N	422.531	5.102	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)Cc2c(F)cccc2C#N)c(C(F)(F)F)c1	518247462	AZMMOHVMMBTYJD-GFCCVEGCSA-N	410.436	5.788	30	20	HKED	
N#Cc1ccc(CNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c(F)c1	518700722	BBCAKLPDAMGLJD-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCSc1ccc(F)cc1	518751966	BPJCXSGSTBXTDA-OAHLLOKOSA-N	403.548	5.524	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2ccccc2Cl)CCOCC1	521733139	AAJCRMZIUGDFAZ-INIZCTEOSA-N	414.958	5.279	30	20	HKED	
Cn1cccc1[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	523900742	CITFBDOSHKQATJ-NRFANRHFSA-N	405.885	5.320	30	20	HKED	
CC(C)(C)c1nn(CCCCOc2cccc(C(F)(F)F)c2)c(O)c1CCC#N	533914196	GIUVHFMMYMRDMQ-UHFFFAOYSA-N	409.452	5.220	30	20	HKED	
N#CCCn1ccc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)n1	533954709	UYYRAULKKDIWBI-UHFFFAOYSA-N	414.296	5.028	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	537152497	YNOLIVGGXQOTAL-INIZCTEOSA-N	423.416	5.109	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C	540684599	VJVGNWLDPBSPQQ-GOSISDBHSA-N	403.511	5.038	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	542000337	POSVPCKNQZSFGM-JKSUJKDBSA-N	405.523	5.270	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3cnc(-c4ccccc4)nc3)no2)c2ccccc21	544565006	YWSNKHCMPKBZSN-VAWYXSNFSA-N	418.460	5.232	30	20	HKED	
N#Cc1ccc(Cc2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)cc1	545613364	ALFWCBCYKPRHPP-UHFFFAOYSA-N	417.472	5.111	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1	548858609	RMOCCYSUYWFCLX-UHFFFAOYSA-N	405.448	5.209	30	20	HKED	
COCC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)c(Cl)c1	556482980	SILIXKOIBDIDLU-IBGZPJMESA-N	405.325	5.302	30	20	HKED	
N#CCCn1ncc(-c2nc(-c3c(Cl)cccc3Cl)no2)c1-c1ccccc1	558596922	TTXHVYJMPWKJRG-UHFFFAOYSA-N	410.264	5.488	30	20	HKED	
COc1cccc(C2(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CCCC2)c1	561256993	KDMPRGVSZLXSTH-UHFFFAOYSA-N	417.534	5.065	30	20	HKED	
CC(C)Oc1ccc(N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	580865675	RKXFCBRHWGZMQJ-UHFFFAOYSA-N	406.511	5.061	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H](C#N)c1ccc(F)cc1	591723189	KVQMAYLIVPMLOB-INIZCTEOSA-N	419.403	5.271	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	591842689	ZKXZBJBIWSSBFP-SNVBAGLBSA-N	408.317	5.844	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc2cc(F)ccc2s1	592973972	LONLFCRKEOCLIO-VIFPVBQESA-N	421.305	6.447	30	20	HKED	
N#C[C@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	597791884	ZLVYHCVMMJCXRC-FQEVSTJZSA-N	410.395	5.203	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCCc3nc4ccccc4[nH]3)c2)cc1	603921099	NUJQMGUYXLXLOF-UHFFFAOYSA-N	424.504	5.169	30	20	HKED	
C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C)nnc1-c1cccc(C)c1	607758223	LJUFMRPJZWNZAO-UHFFFAOYSA-N	412.584	5.157	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)oc2c(F)cccc12	609103812	BXTCITQRTIBQFU-UHFFFAOYSA-N	418.399	5.722	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc2ccccc21	609167431	UUSSHWHUAUGXBU-UHFFFAOYSA-N	423.451	5.023	30	20	HKED	
CC(C)OCc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1	609298070	BHKKBRULJVNMBJ-UHFFFAOYSA-N	404.441	5.667	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCc1ccc(Br)s1	609382884	WBUFAMDWTANWKM-ZDUSSCGKSA-N	423.401	5.724	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccccc1Cl	609387484	HUCQRTQINVEHHV-HNNXBMFYSA-N	420.987	5.485	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)CC1	609508767	SZELMVFCMNJFGF-JNNLDFGZSA-N	410.517	5.321	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1Cl	609643517	YAXZVKWTKPKWMY-NRFANRHFSA-N	404.872	5.805	30	20	HKED	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N	609820404	UAKWKZBIUZRTFF-PGRDOPGGSA-N	408.567	5.281	30	20	HKED	
Cc1ccc(C[C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	610016750	RAQAQXODDJZOHY-QGZVFWFLSA-N	419.550	5.454	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NC3(c4cccc(Cl)c4)CC3)s2)cc1	610137867	QDPJBHMSTOOLKG-UHFFFAOYSA-N	408.914	5.070	30	20	HKED	
CCCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@H](C)c1ccccc1Br	610408073	GOQUKSZLUJUBIZ-HZPDHXFCSA-N	414.347	5.565	30	20	HKED	
CC(C)(C#N)c1ccccc1CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F	610855923	HZORYSYCASDQFJ-UHFFFAOYSA-N	401.432	5.467	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)o2)c(Br)c1	611492159	JWRGYJNGPRZEOZ-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
COc1cccc2cc(C(C)=NNc3nc(C(F)(F)F)nc4ccccc34)oc12	725832365	HKXKOUUSPMGMPJ-UHFFFAOYSA-N	400.360	5.240	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2nc(-c3ccsc3)oc2C)cc1	727037968	AXJPJWDTYPOQJG-AUUYWEPGSA-N	421.522	5.115	30	20	HKED	
Clc1cccc(-c2cnc(CON=Cc3cccc(OCc4ccncc4)c3)o2)c1	727435857	XHLDDFJEZNJRBN-UHFFFAOYSA-N	419.868	5.520	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1Cl	727626959	JMOYVSAXZUTHFO-RFKZRZAASA-N	407.684	5.398	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)sc2c1	729189212	XNNMYWVFXCZIPS-GFCCVEGCSA-N	403.290	5.478	30	20	HKED	
N#CCCCOc1cccc(/C=C/C(=O)c2c[nH]c3cc(Br)ccc23)c1	729937681	ZDSXDLFZFYSLLP-RMKNXTFCSA-N	409.283	5.509	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1Cc1ccccc1	731349590	OSUHEHRHHOCEAG-GOSISDBHSA-N	403.551	5.800	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)ccc1Oc1cccnc1	732713566	CHJZTUBTPQGLEX-XBXARRHUSA-N	418.468	5.054	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)n2)cc1	733680312	ZPNRRYNEVQDQRT-CJNGLKHVSA-N	414.889	5.555	30	20	HKED	
O=C1/C(=C/c2nccn2Cc2ccccc2)CCc2nc(-c3ccc(F)cc3)sc21	734094706	FSZVIBUDDNKSQJ-NBVRZTHBSA-N	415.493	5.407	30	20	HKED	
O=C(/C=C\c1ccc(-c2nc3ccccc3s2)o1)c1c(Cl)nc2sccn12	741844994	UKYRBJZQIRSLSN-ALCCZGGFSA-N	411.895	5.815	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	743226764	QBGRBGXKTDTYFB-SFHVURJKSA-N	409.530	5.492	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1	743777008	MMGKCJOVQWAQGG-INIZCTEOSA-N	417.534	5.486	30	20	HKED	
CCn1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1Cl	744034249	DQORWAMQBYENKV-CYBMUJFWSA-N	405.310	5.132	30	20	HKED	
CC(=O)N(C)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	744771596	TVTFECRJLTVNNM-UHFFFAOYSA-N	415.518	5.086	30	20	HKED	
C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1)C(=O)O	746684520	RTIUOKGEMYWUKI-CFYYFVFUSA-N	423.446	5.071	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)nc1Cl	752993904	AKBZRBAVSCBQRR-UHFFFAOYSA-N	423.712	5.213	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl)c1ccccc1	753178407	NKJSDACIEXZPNM-DLBZAZTESA-N	404.297	5.161	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(Br)c1	753525937	FSOMPBLBIXTMCI-CYBMUJFWSA-N	415.674	5.098	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2cccnc2)c2ccc(F)c(C)c2)ccc1OC	753679794	UCDADANHVNDPIB-OFVILXPXSA-N	419.500	5.098	30	20	HKED	
CC(C)n1ncc2c(C(=O)OCC3CCC(C#N)CC3)cc(-c3cccs3)nc21	755973319	KCIXTJKIIRWODB-UHFFFAOYSA-N	408.527	5.227	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCC(=O)c2cc(Cl)sc2Cl)n1	756299714	JUIIDSPMSKBYMN-JTQLQIEISA-N	401.340	5.474	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2N(C)C)cs1	764440957	FBIKZVWRKZILDD-XYOKQWHBSA-N	423.513	5.237	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)c1	767814713	MGQJMZJSOKSLBD-PXNSSMCTSA-N	419.447	5.169	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)nc1	767873576	SXLSWKNWECIGHN-UHFFFAOYSA-N	410.477	5.375	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C12CC(C(F)(F)F)(C1)C2	769314783	PVOQDICUQVHSAT-UHFFFAOYSA-N	403.269	5.020	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCC(F)(F)F)c2)cc1	769943826	BJVZSWQVSDHXJA-KUHUBIRLSA-N	418.415	5.102	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2c1	770416482	MNUYQLLCWSINSH-MRXNPFEDSA-N	420.683	5.198	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(SCC(F)(F)F)cc2)c1	772986487	XOVWIPSXSQVHAH-CRAIPNDOSA-N	408.489	5.873	30	20	HKED	
Cc1sc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)nc1-c1ccc(Cl)cc1	776162938	CIMRDNWDBRMWRH-CABCVRRESA-N	411.958	6.086	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1ccc(Br)c(Br)c1	779989762	ZNOJKJFJNUBAQO-LLVKDONJSA-N	410.109	5.115	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2O[C@H](C)C#N)cnn1-c1ccc(Cl)cc1	780150945	XRSJGBUDJKDJQI-OAHLLOKOSA-N	408.889	5.192	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccccc1O[C@@H](C)C#N	780167257	ZEQGCDKROAILNA-JTQLQIEISA-N	403.916	5.377	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N	780670066	NXKAOGJLJXFXSW-GOEBONIOSA-N	406.511	5.292	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NCc1cccc(OCc3ccccc3C#N)c1)CCC2	780763892	GOEREJGRQVGMEC-XMMPIXPASA-N	400.526	5.082	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1	781110100	FGZMSZYRBBNMFD-SOFGYWHQSA-N	402.372	5.736	30	20	HKED	
Cc1oc2c(CN3CCC[C@](C)(C#N)C3)c(O)ccc2c(=O)c1-c1ccccc1Cl	784015015	UTEWJFLEVKNGKQ-XMMPIXPASA-N	422.912	5.253	30	20	HKED	
N#Cc1ccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(Cl)c1	784198044	APKBUMSOCGGRCI-UHFFFAOYSA-N	401.249	5.196	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1	786117097	HRGNMOMAAMVLNO-HSZRJFAPSA-N	415.468	5.102	30	20	HKED	
CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	789076363	IXGZDPZMIVIXOF-UHFFFAOYSA-N	413.321	5.402	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1	791768997	NWXHYLRGJFBQHI-FQEVSTJZSA-N	417.431	5.757	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCc3c(Br)cccc3C2=O)cn1	792891903	XTRRQTLWLFBKFQ-RVDMUPIBSA-N	421.294	5.127	30	20	HKED	
COC(=O)c1csc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)c1	794723287	DEQJVYOEOBZWQJ-DAXSKMNVSA-N	419.911	5.120	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccccc2Br)CC1)c1nccc2ccccc12	797161328	VBKNIKQOOPXUIL-GOSISDBHSA-N	405.295	5.196	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CO[C@@H]3CCCc4ccccc43)n2)cc1	797552008	ZJCKVECGIANWSE-NFBKMPQASA-N	418.518	5.089	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	806262437	ICTVSPHOOARONO-UHFFFAOYSA-N	415.969	5.328	30	20	HKED	
CCC(=NNc1ncnc2scc(-c3ccc(OC)cc3)c12)c1ccc(F)cn1	814760901	BBHOYGPCBFOCTA-UHFFFAOYSA-N	407.474	5.127	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@H](CCCC#N)c1ccccc1	817320103	XNVPONDXDKPATD-HXUWFJFHSA-N	407.514	5.127	30	20	HKED	
O=C(CCc1ncc(-c2ccccc2F)o1)N1CCCSC1=Nc1ccccc1	821736036	VEWJWDYHWFXMSI-UHFFFAOYSA-N	409.486	5.067	30	20	HKED	
COc1cccc(-c2nc(/C=C\C(=O)c3ccc(OC(F)F)c(OC)c3)cs2)c1	916126558	DGTJMDWUHXLMCV-FPLPWBNLSA-N	417.433	5.325	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1cc2ccccc2nc1Cl)CCCCC3	916272906	NJOVGXANGOLQKV-UHFFFAOYSA-N	422.941	5.119	30	20	HKED	
Cc1cccc(-n2c(C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c2C)c1	916905933	OMOSTBRATRJSDX-IBGZPJMESA-N	405.885	5.017	30	20	HKED	
CC(C)Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916910758	UFNIQVVLAGRFMZ-QFIPXVFZSA-N	412.489	5.639	30	20	HKED	
Cc1nc2cc(F)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2nc1C	917119856	YNEQIWYPQOTEDR-QFIPXVFZSA-N	410.452	5.294	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccccc2C(F)(F)F)cs1	917531981	BNTKJGOOTJXOGD-UHFFFAOYSA-N	422.407	5.432	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC	920102628	XVVCBMDHLLITBZ-INIZCTEOSA-N	424.884	5.133	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2)c1	920106568	SOUNBLIFVKCYBR-QHCPKHFHSA-N	422.484	5.569	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806850	RHDURKZTBXIRTP-ZFWWWQNUSA-N	414.502	5.586	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(OCC)cc2C(F)(F)F)cc1OC	920820869	QFQORZNEYADBAM-XFFZJAGNSA-N	421.415	5.329	30	20	HKED	
COc1cccc(C2CC(=O)C(=CNc3ccc(SC(F)F)cc3)C(=O)C2)c1	920976789	XBSFDRJBONFHNF-UHFFFAOYSA-N	403.450	5.022	30	20	HKED	
CC(C)c1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)s2)cc1	9968432	WJVZALRWDPSUCK-AWEZNQCLSA-N	423.567	5.396	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)ccc2C)[n+]2cccc(C)c2)c1	10172599	IKIFUUCUXKUWKD-UHFFFAOYSA-O	403.571	5.567	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(C)cc1	10173139	SAXBDOWDWYHECX-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C)c(C)c2)[n+]2ccc(N(C)C)cc2)s1	22695550	GDUGCOCKQVCERU-UHFFFAOYSA-O	424.615	5.078	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1C1CC1	36799976	PEZRSSVNUHWFDL-NRFANRHFSA-N	418.566	5.430	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2coc(-c3ccc(Cl)cc3)n2)n1	45716290	AHCYMWWQMHDOEC-UHFFFAOYSA-N	409.820	5.881	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(Br)cs3)c2)c1	195715099	YGADIZCCNJFOQS-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1	303297005	CEXJYHJBKGQFKS-MRXNPFEDSA-N	407.564	5.694	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1cccc(OC(F)F)c1	303581720	PCJXXFIPRHHQHZ-INIZCTEOSA-N	422.431	5.230	30	20	HKED	
C=CCN(C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc2c(s1)CCCC2	426699534	JTBLKINANLRGFM-UHFFFAOYSA-N	419.472	5.372	30	20	HKED	
CC(C)(C)n1cc(C(=O)Nc2ccc(C#N)cc2Cl)c(-c2ccc(F)cc2F)n1	430373547	ITQIEYPAEOAUKV-UHFFFAOYSA-N	414.843	5.361	30	20	HKED	
N#CCC1(CNC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1	431137044	HKHGVFKQEMPOTK-UHFFFAOYSA-N	417.296	5.061	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437496980	MEIZWJLRPXRYIR-VQTJNVASSA-N	402.425	5.240	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1	438457527	SJRUNCQUDULAPQ-ONTIZHBOSA-N	423.557	5.293	30	20	HKED	
CCN(CCC#N)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	439138830	VRDFBSINGVBWPM-UHFFFAOYSA-N	405.285	5.013	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	444929795	AIERTBIONAQREP-LBPRGKRZSA-N	400.891	5.556	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc2c(n1)CCCC2	445243288	WOVFMFMLMAVPFS-UHFFFAOYSA-N	412.493	5.255	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CC(F)(F)F)C(C)C	446163695	UMYCLOYJIGHIEQ-FQEVSTJZSA-N	419.447	5.544	30	20	HKED	
C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	460780784	RQSVZTNMFOBGJZ-GOSISDBHSA-N	416.554	5.176	30	20	HKED	
FC(F)CSc1ccc(C(F)(F)F)cc1NCc1nc(CC(F)(F)F)no1	462244810	FURJNWQRVNTWGM-UHFFFAOYSA-N	421.313	5.163	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1	463920885	DZKJDIBBROQOPL-HUUCEWRRSA-N	412.946	5.739	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CCCOc2ccccc2)C2CCOCC2)c1	463954099	XZIGGALCXSPERL-UHFFFAOYSA-N	424.541	5.124	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OCC	464423659	DRRRZRPIAPVHFQ-INIZCTEOSA-N	406.404	5.168	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OCC	465412910	ZMWZVXARDCXJNK-YUXAGFNASA-N	421.541	5.026	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1	465414266	GICLXMJUSZVGBN-LJQANCHMSA-N	401.491	5.729	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)c1	465876120	UDZCRGBMYHTZQF-VWLOTQADSA-N	409.464	5.439	30	20	HKED	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	466146316	RBWUANFVKGBHDH-CZAYHTPWSA-N	423.944	5.321	30	20	HKED	
C=C[C@](C)(CC)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC	467851624	MSUVFQCOQQCTPE-XMMPIXPASA-N	410.514	5.277	30	20	HKED	
COc1ccc(-c2nnc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)o2)cc1	471636970	UGQCEAMMGVEECK-UHFFFAOYSA-N	416.412	5.160	30	20	HKED	
Cc1ccc2nc(C3CC3)cc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c2c1	473567860	GSOLEUADTIYKFF-UHFFFAOYSA-N	421.504	5.347	30	20	HKED	
CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	475597770	AYIYHPCBKIHNTK-UZLBHIALSA-N	412.917	5.324	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc2sc(N3CCCC3)nc2s1	476998389	FOWULVPZTTUBJC-UHFFFAOYSA-N	411.596	6.062	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccc(C(F)(F)F)cc1	477171998	REOHZPAHDPSDQF-IEBWSBKVSA-N	423.504	6.024	30	20	HKED	
Cc1nc([C@@H](C)N2CCN([C@H](C#N)c3ccccc3)CC2)oc1-c1ccc(Cl)cc1	477762926	HLIUEEUZIGPNFM-XMSQKQJNSA-N	420.944	5.247	30	20	HKED	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(C)c1	477787392	GCRICFQIPYRJKW-LJQANCHMSA-N	420.557	5.085	30	20	HKED	
C=C(C)[C@H](NCc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)c(F)c1	481584027	YCSRYOWZLPUHFP-NRFANRHFSA-N	416.493	5.513	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1	486228886	QKNUYZQNIZESON-UHFFFAOYSA-N	415.518	5.444	30	20	HKED	
N#CCCC[C@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1	487399898	CSZGRAHBDSZKEL-VWLOTQADSA-N	410.517	5.868	30	20	HKED	
CO[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(O)cc1	487562617	FIVOJUXETLOQST-OAQYLSRUSA-N	408.841	5.036	30	20	HKED	
C=CCC[C@H](C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1	488893797	FHQZNCBWGKYRGX-CYFREDJKSA-N	413.521	5.261	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(F)c(F)cc1Cl	493386478	OJQBNKNGOUWNIG-CYBMUJFWSA-N	415.692	5.253	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1ccc(F)cc1	496573029	NWMPXAJVTRVEHX-UHFFFAOYSA-N	418.497	5.750	30	20	HKED	
COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCCCC2(C#N)CCOCC2)c1	499610049	ZZFYNQOJTSYTTB-VWLOTQADSA-N	406.570	5.286	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl	503011245	GJXFKVDMKUYCEF-ZDUSSCGKSA-N	416.934	5.080	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2Cc3ccccc3O2)cc1Cl	503291218	ZTGCUJOBYMYEDZ-TZIWHRDSSA-N	417.896	5.121	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	506674445	HDMDNSJXQGHBDR-UHFFFAOYSA-N	416.239	5.373	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1Cl	507165827	BGPVECUKDBVDEB-CYBMUJFWSA-N	416.308	5.132	30	20	HKED	
C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC[C@@H](c2nccs2)C1	508895436	OZAZJLSNKOHXRJ-GOSISDBHSA-N	401.539	5.125	30	20	HKED	
C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510004920	KYZYIPOQAGCUGB-YWZLYKJASA-N	421.953	6.208	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(F)c(C#N)c1	510015212	RFHBWEWIEHDDHS-UHFFFAOYSA-N	408.246	5.041	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Sc2ncccn2)cc1C	517101540	WUPOZMBJHIASRP-UHFFFAOYSA-N	408.502	5.295	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2)c1	517508670	OKZHVGJMENDHBA-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl	517517988	NNARSOXLQFYDHH-STQMWFEESA-N	409.338	5.794	30	20	HKED	
CN(CCCOc1ccccc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	518028080	UZTVIWYDDOYJIS-UHFFFAOYSA-N	404.441	5.031	30	20	HKED	
Cc1ccc([C@@H](NCC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)cc2Cl)cc1	518660362	STXJNCDCFGITET-XMMPIXPASA-N	421.903	5.171	30	20	HKED	
N#Cc1cc(Br)ccc1CSc1nnc(CCCc2ccccc2)o1	519632458	FIQILSCYGDFFGS-UHFFFAOYSA-N	414.328	5.171	30	20	HKED	
COc1cccc(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	520357854	PWGQSDXJMOUHKS-UHFFFAOYSA-N	402.469	5.180	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(F)cc21	521748534	VUGPWHFUWFFXJD-XJKSGUPXSA-N	401.532	5.436	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cc2)cc1	523824859	NZFURYCCVOBAOT-DENIHFKCSA-N	404.416	5.109	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	524565352	QPPWZEOZGQQRCX-DLBZAZTESA-N	413.612	6.322	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(F)c(F)c1	525651623	YUDYCKPNMGMCCX-LLVKDONJSA-N	414.399	5.732	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc2ccccc2c1	533231012	LMXCOIPCWPIIRD-SFHVURJKSA-N	403.551	5.305	30	20	HKED	
N#CCCn1cc(CN2CCC(OCC3CCCCC3)CC2)c(-c2ccccc2)n1	535083731	ZCMVFOHVMVQFTE-UHFFFAOYSA-N	406.574	5.025	30	20	HKED	
CN(C)c1ccc(C(F)(F)F)cc1NCc1cn(CCC#N)nc1-c1ccccc1	535835608	FWTNRXAECWMZPE-UHFFFAOYSA-N	413.447	5.161	30	20	HKED	
COc1cccc(-c2c[nH]cc2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1	539098328	FTIJOPJBEAAHPS-UHFFFAOYSA-N	407.473	5.159	30	20	HKED	
O=[N+]([O-])c1ccc(CN[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c(F)c1	541084489	IOHWTIMOGKUMLV-CQSZACIVSA-N	412.261	5.026	30	20	HKED	
N#Cc1ccc(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C(F)(F)F	543861127	CLICRCSPWABRIJ-UHFFFAOYSA-N	405.357	5.433	30	20	HKED	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	544615887	PHWXLSHYEGQDFC-IERDGZPVSA-N	416.456	5.500	30	20	HKED	
C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	553718252	XCTFCMBJAIQUMW-BLIXFSHQSA-N	416.443	5.081	30	20	HKED	
N#CCCC[C@H](NCc1cc(C(F)(F)F)ccc1Br)c1ccccc1	560564548	MLKJBNJQPPGWRB-SFHVURJKSA-N	411.265	5.993	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H]2c3ccccc3CC23CCOCC3)c1	562080819	XZTALHOJBWJYLG-HHHXNRCGSA-N	424.544	5.321	30	20	HKED	
C=CC[C@H]1N(C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CCCC1(C)C	566595565	JRPNZEWBRMPNTP-LJQANCHMSA-N	400.544	5.034	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1	571480492	MLGIUPNYVQZSCT-INIZCTEOSA-N	411.221	5.025	30	20	HKED	
COc1cccc(/C=C(/CC(=O)NC2(C#N)CCCC2)c2nc3ccccc3s2)c1	585705286	JYEWPRSRXOSCSE-AQTBWJFISA-N	417.534	5.188	30	20	HKED	
COc1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1F	603533222	UINCOQXBJXTUJY-UHFFFAOYSA-N	420.459	5.320	30	20	HKED	
CC(=O)Nc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	603673362	KGWDCRDTXVYUCQ-QFIPXVFZSA-N	417.896	5.135	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690635	QTAOPUSMBPEPNF-INIZCTEOSA-N	412.449	5.717	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ncc(-c2ccccc2)o1	606946642	HKENWQIEEILSBW-GOSISDBHSA-N	408.461	5.019	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)Nc3ncccc3OCCCC#N)cs2)cc1	608868559	FWVIYHUYVIXAMK-UHFFFAOYSA-N	406.511	5.263	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@H](c2ccccc2F)C1	608962605	IMVFIHFJSYJSLP-NRFANRHFSA-N	418.493	5.062	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)o1	609018669	KFMKYTRERKKPAA-YLJYHZDGSA-N	420.538	5.039	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCn1cnc2ccccc21	609072196	DAFYTYPTYCMJSK-UHFFFAOYSA-N	424.504	5.214	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3ccccc3n2CC#N)cc1	609165245	JKHAGZMBSSTTFB-UHFFFAOYSA-N	420.472	5.062	30	20	HKED	
COCCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1	610357745	SJMVHALLXFATCA-JKSUJKDBSA-N	419.447	5.057	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3ccco3)s2)cc1	610799309	PKFTXYNYXLFTMF-UHFFFAOYSA-N	414.486	5.905	30	20	HKED	
Cc1csc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1Br	617129982	YJQIUFNLRRCOAD-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2CC)nnc1-c1cccc(C)c1	617940177	FAKIUMOINGXBHF-KRWDZBQOSA-N	406.555	5.121	30	20	HKED	
CCCOc1cc(F)ccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675388753	BXVMVGIYCLIFRY-GHMZBOCLSA-N	416.337	5.209	30	20	HKED	
C=CCC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1	676423473	WMENUNFGKPZCPV-JYJNAYRXSA-N	408.386	5.466	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc1OC	727763733	PMMYJJATTQGQDV-QHCPKHFHSA-N	417.505	5.179	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2ccccc2OCC#N)cc1Cl)c1ccccc1	728024914	JLTLPJOHNKMJNZ-MRXNPFEDSA-N	405.885	5.668	30	20	HKED	
Cc1cc(COc2ccc(/C=C\C(=O)c3c[nH]c4ccccc34)cc2)oc1C(=O)O	729937374	PZLJYGAXSVVJEI-FLIBITNWSA-N	401.418	5.243	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1	730420202	BELTUOPGLQYNEM-KXQLTZBTSA-N	415.287	5.396	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	730490924	NZJHULZTSZPOGX-ROUUACIJSA-N	410.304	5.232	30	20	HKED	
Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1ccc(-c2ccc(F)cc2)o1	730566368	KVNCYKZAZBDSSI-UHFFFAOYSA-N	422.485	5.044	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2C)no1	731345378	QRODLYGFGBNUFS-UHFFFAOYSA-N	412.449	5.307	30	20	HKED	
C(=NNc1cnnc2ccccc12)c1cn(Cc2ccccc2)nc1-c1cccs1	733749909	FJKRNANRYFONIC-UHFFFAOYSA-N	410.506	5.049	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cc(Cl)cs3)n2)cc1	737326004	MFGFJEUBMYDMFW-INIZCTEOSA-N	402.928	5.343	30	20	HKED	
N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1	744038153	OBKOZAOXIPAQLZ-MRXNPFEDSA-N	417.292	5.167	30	20	HKED	
COc1cccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)c1	747154852	MWAVNENENOPCAA-QNGOZBTKSA-N	419.908	5.870	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cccc(Br)c2)cc1OCCCC#N	747362012	IRWLPWKDQXFSSN-CLFYSBASSA-N	400.272	5.036	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)NCc1ccc(Br)cc1	747651311	RTHNYXZZEXWHNZ-ZDUSSCGKSA-N	420.401	5.330	30	20	HKED	
CC(C)Cn1c(-c2ccco2)nn(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1=S	751931011	HTXVHPVZFPNTAC-PMACEKPBSA-N	421.570	5.059	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	760180708	IKZBJTLRLOTHGS-KRWDZBQOSA-N	406.507	5.170	30	20	HKED	
CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	761845599	LUGVAIQPGZQPMB-LJQANCHMSA-N	415.946	5.318	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCC2CCN(C(=O)c3ccccc3)CC2)cc1	766097342	YRMRVWOENKCSNP-LJQANCHMSA-N	412.961	5.021	30	20	HKED	
N#Cc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c(F)c1	772798077	RUFGHYIUDKBQSU-ZSOIEALJSA-N	419.268	5.191	30	20	HKED	
O=C1/C(=C/c2ccc(F)nc2)CCc2nc(-c3ccccc3Br)sc21	777468407	XBGPBPVLSQJCQG-FMIVXFBMSA-N	415.287	5.319	30	20	HKED	
C[C@@H](OC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1cccc(C#N)c1	779204127	FNQJHIIOPUTYQO-LLVKDONJSA-N	415.218	5.033	30	20	HKED	
CC[C@@H]1C[C@@H](C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)CCO1	779760433	WZLYKJBXBQZBCE-WMLDXEAASA-N	415.946	5.126	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1	780486032	OYFFDGUKWZECAX-CPJSRVTESA-N	411.505	5.275	30	20	HKED	
CC(C)c1ccc(-n2ccnc2SCC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	781034405	KJWOBNGDODYXGH-KRWDZBQOSA-N	420.538	5.017	30	20	HKED	
CC(C)(C)Sc1ccc(-c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)cn1	783623188	IAPGFKXURBHWHH-SFHVURJKSA-N	405.527	5.235	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1	787434759	UPMXSJFPOCGQOZ-CQSZACIVSA-N	405.420	5.096	30	20	HKED	
N#C[C@@H](C(=O)Cc1cc(F)ccc1Br)c1nc2cc(Cl)ccc2s1	789800016	DNOJEKUIIGWONM-LBPRGKRZSA-N	423.694	5.270	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	793596212	VJYVZUIIUKLXNQ-YADHBBJMSA-N	419.525	5.254	30	20	HKED	
CCCCCCCN(C(=O)C[C@@H]1COC(=O)C1)[C@H](C)c1ccc(Br)cc1	797358189	LIPBQZDCYAQZQD-SJORKVTESA-N	424.379	5.262	30	20	HKED	
CC(C)(C(=O)OC[C@H]1CC[C@@H](C#N)CC1)c1csc(-c2cc(F)ccc2F)n1	810880242	ZOVHSTZRLFDXBE-OKILXGFUSA-N	404.482	5.239	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(Br)c1	813217253	JZGAPSVIIVFXOP-NNTXTVRGSA-N	409.205	5.061	30	20	HKED	
COc1cc(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1	815907824	LPXSEHBAQJPDOE-IBGZPJMESA-N	420.852	5.102	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)c3ccccc3C2=O)c1	915850936	GHTUPOQFBVAEMG-BWAHOGKJSA-N	421.500	5.073	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	916928571	NZVLSRCTAKIUFZ-XJKSGUPXSA-N	419.308	5.233	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916976947	YBBUHFMVAXIIDR-QGZVFWFLSA-N	401.318	5.926	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccc(Oc2ccccc2)c(F)c1	918650570	BGUOWEAYNUFHON-MRXNPFEDSA-N	406.482	5.725	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(C)s3)n2)cc1	920143285	OMIOSLQGILUTME-MRXNPFEDSA-N	410.520	5.028	30	20	HKED	
CC(C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920803821	DOTIRDHDARLPLF-OAHLLOKOSA-N	412.461	5.467	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3nc(C(C)C)cs3)CCC2)cc1	1791728886	PZFCVCDMZWQXFF-UHFFFAOYSA-N	423.582	5.208	30	20	HKED	
C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1	1831857018	SIVDFIWZXYMDEE-QFZRFWILSA-N	410.602	5.012	30	20	HKED	
C=CCn1c(SC[C@H](C#N)CCC#N)nc2sc(-c3ccccc3)c(C)c2c1=O	15248371	UDQAXPGQYAZVLV-INIZCTEOSA-N	420.563	5.155	30	20	HKED	
C=CCN(C(=O)Cc1nc(-c2cccs2)oc1C)c1nc(-c2ccccc2)cs1	24469668	DGUGPDHIBMNJGR-UHFFFAOYSA-N	421.547	5.597	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(F)cc1	26040483	WZJKCJQSKAWQIN-LBPRGKRZSA-N	413.503	5.235	30	20	HKED	
Cc1ccccc1-c1csc(/N=C(\O)C(=O)c2c(C)nn(-c3ccccc3)c2C)n1	31788940	IGKALEKGNXIHIN-UHFFFAOYSA-N	416.506	5.392	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	51677769	DAVQRGDYFBDAQJ-CQSZACIVSA-N	417.412	5.154	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1Cl)C1CCCCC1	55649195	RASURGYKMWGIDJ-UHFFFAOYSA-N	409.917	5.063	30	20	HKED	
Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	55823520	JCYZRYOWQSGDOH-IBGZPJMESA-N	400.478	5.046	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2cccc(OCC)c2)cc1OC	63319480	IBZUFSYJYNNUAG-HNNXBMFYSA-N	420.347	5.272	30	20	HKED	
COc1cc(/C=C\C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)ccc1OCC#N	96565387	RVJHFVNWSYQJCO-XKSYAXFZSA-N	412.489	5.155	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1	108298736	HOLUOCRXWVLSKG-UHFFFAOYSA-N	414.509	5.211	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1	212544365	DTCHCNPUGKEVSG-QXMHVHEDSA-N	406.825	5.397	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccccc1F	215611697	ALCABYSNWOAULM-AWEZNQCLSA-N	407.474	5.174	30	20	HKED	
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	303346279	MOLNKHSEPYFDEX-QZTJIDSGSA-N	415.493	5.037	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	303424203	ZDRQQIPHFHISOH-QGZVFWFLSA-N	402.306	5.420	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	426090766	ALWSQEQDDZHPST-IBGZPJMESA-N	405.420	5.493	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N[C@H](CCCC#N)c1ccccc1	431854135	MNNUZILASLCKQW-WIYYLYMNSA-N	418.566	5.914	30	20	HKED	
N#CCCC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1	433022701	WZVHJQBGRVGNCA-OAQYLSRUSA-N	420.582	5.242	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCc2sc(Cl)cc21	433124922	GXSASWAKNINCPD-JSGCOSHPSA-N	405.976	5.852	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1cc(C(F)(F)F)on1	433149717	JWGSMQRQRQPFKH-NSHDSACASA-N	412.437	5.144	30	20	HKED	
C=CCN(C(=O)C1CCC(=O)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	433495750	BECVZWOEKLATMY-UHFFFAOYSA-N	409.338	5.395	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)NCc3ccc(-c4cccnc4)cc3)c2)cc1	437370526	ATEDPNOYZTWKST-UHFFFAOYSA-N	404.473	5.294	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2C)cc1	437833088	ALUAJFZUDSHRTR-DEOSSOPVSA-N	417.553	5.487	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	438082930	WMJMNBNFFYTBSF-NOXFTYBFSA-N	423.582	5.679	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](CCC#N)c4ccccc4)cc3)o2)c1	439655074	NBPBRMAZDJAIQU-HSZRJFAPSA-N	422.488	5.487	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c2ccccc21	444034891	QIIGPRKJIBFSTR-UHFFFAOYSA-N	423.520	5.397	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c2ccccc21	444174287	GORUCXRFKQKZTR-SFHVURJKSA-N	411.292	5.247	30	20	HKED	
N#Cc1ccc(/C=C/c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)cc1	445332974	JSCIYRJNQPKVKP-CCEZHUSRSA-N	422.444	5.085	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)C[C@@H]2OCCc3ccccc32)c1	460333437	VFYCNFUFCJUGEN-DEOSSOPVSA-N	416.908	5.449	30	20	HKED	
Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccccc3-c3ccccc3C#N)cc2)n1	461593291	BYPJVLLHOOPWNP-HXUWFJFHSA-N	420.516	5.519	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCCc1nc2ccccc2s1	464939730	YIXUVFMMJZAHEL-FPOVZHCZSA-N	403.551	5.307	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1nc(-c2ccccc2)cs1	465909109	WPHQHUKDFSZHIL-XJABCFGWSA-N	416.550	5.352	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(NCC(F)(F)F)c1	468116950	KRRCDTFXXWDUOB-UHFFFAOYSA-N	411.383	5.577	30	20	HKED	
CC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[C@@H]1c1ccccc1	470022665	PKCQWRNCGQGFNU-YKSBVNFPSA-N	411.505	5.401	30	20	HKED	
Cc1ccc(C)c([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	474234853	UFTZVOZMGLHOPC-SIKLNZKXSA-N	407.583	5.473	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)n1	474447149	PNUWRHIIZZVLSA-KRWDZBQOSA-N	423.925	5.662	30	20	HKED	
C=C(C)[C@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(F)c(F)c1	475659189	GSPWEJUPMUUCAE-SFHVURJKSA-N	416.449	5.227	30	20	HKED	
CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1ccc(F)cc1)c1cccnc1	475756234	OUWHZQPKSMJZLD-ATIYNZHBSA-N	415.512	5.636	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NCc2nc(-c3ccccc3Cl)cs2)n1	478366716	XDBMIYXBMQWBMH-UHFFFAOYSA-N	409.877	5.272	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1	478628731	LVJSPVRZKSQALK-INIZCTEOSA-N	403.448	5.128	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1cccs1	481401005	NSTKGISARVMIEY-CYBMUJFWSA-N	416.597	5.034	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1nccc2ccccc12	483198453	QLCMFTKENAMPAO-OAHLLOKOSA-N	422.271	5.995	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483216263	KFUOEEGCMXHTTC-ZDUSSCGKSA-N	423.259	5.390	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c(C#N)c(C)c1C	485760196	FPCYGYXEHPDJPZ-UHFFFAOYSA-N	423.488	5.555	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1	489405651	KAPRKBDJUSNCIP-UHFFFAOYSA-N	415.522	5.075	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)c2)cc1	489815414	JBFOBFKYKSEPQL-RDPSFJRHSA-N	413.477	5.250	30	20	HKED	
COc1cc(C#N)ccc1CS[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1	500845719	FENYLBDAHIBUHP-LBPRGKRZSA-N	423.519	5.532	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	503528070	RWKXLXKCLLSZBS-HNNXBMFYSA-N	409.361	5.620	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1	505044436	BAXMRYJVXNCQCI-OAQYLSRUSA-N	402.498	5.614	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)C2CC2)cc1	505813558	SKINYXHXGLYDMO-UHFFFAOYSA-N	421.394	5.225	30	20	HKED	
CCOc1ccc(C2=CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1	510077146	BGJRZKGZCVGZBP-GOSISDBHSA-N	421.566	5.801	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	510246511	SFGZJIGVSQQVJG-GOSISDBHSA-N	423.567	5.221	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21	513109062	VXXARNOZAFHKRG-RDJZCZTQSA-N	404.352	5.335	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1	514500208	DNJOKIPCUBCSJT-UHFFFAOYSA-N	412.464	5.206	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1	514760137	QKLWRVZQSJOJSE-UHFFFAOYSA-N	410.257	5.258	30	20	HKED	
C[C@@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1sc2c(c1C#N)CCCCC2	514766853	LNZYQSJPGFDBNK-ZHRRBRCNSA-N	419.550	5.188	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1	517397043	PSXVWQLUWHVMOF-BEFAXECRSA-N	416.978	5.159	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(C)c2c1	517533185	UWQMQYXCQPEOQT-HOCLYGCPSA-N	423.538	6.027	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1	517637690	GVQNSONANDIGDC-UHFFFAOYSA-N	424.500	5.581	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1	517934633	YQYAGNJZYXLMMM-UHFFFAOYSA-N	407.857	5.063	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1cccc(C(F)(F)F)c1	518148304	QHNOHPGIECPEHF-KGLIPLIRSA-N	407.461	5.396	30	20	HKED	
C[C@@H](Nc1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl)c1ccc(C#N)cc1	518716210	GDNPUVJJKAMQPH-LLVKDONJSA-N	419.699	5.237	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Oc2ccccc2)cc1	520327651	ONESQFKFSPFCIE-UHFFFAOYSA-N	421.456	5.814	30	20	HKED	
CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523419701	PORHMMKQRRZNQO-NTKDMRAZSA-N	405.542	5.764	30	20	HKED	
CCCN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F	524834309	HRNLKKBKERUAMO-RUZDIDTESA-N	419.475	5.192	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cc2ccccc2s1	525952395	XLADDLWRFMHAFF-HZPDHXFCSA-N	409.580	5.585	30	20	HKED	
C=CCC[C@@H](NCc1nc(-c2ccc(Br)s2)no1)c1ccccc1	538256071	BQSJBAGTVNLEGM-CQSZACIVSA-N	404.333	5.358	30	20	HKED	
N#Cc1ccc(CN[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)o1	538452382	ONMDURMXRXGMLW-HXUWFJFHSA-N	404.363	5.219	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1	539633533	WQXDIUAUDMWZRW-UHFFFAOYSA-N	409.445	5.167	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(C(F)F)c3Cl)CC2)c1	542723886	ZDNYRMQMQLPTJF-UHFFFAOYSA-N	405.832	5.225	30	20	HKED	
CCCCOc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	551779341	ZLPICCYUQRFYAV-LJQANCHMSA-N	405.542	5.622	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(COc3ccccc3)cc2)cc1	552711447	YMKCRNVTTJRPOB-UHFFFAOYSA-N	416.481	5.217	30	20	HKED	
CC(C)c1sc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)nc1-c1ccccc1	555427002	NCSSANNOIWCLRD-UHFFFAOYSA-N	416.428	5.471	30	20	HKED	
CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1	563662635	CISFNQOIORTXSF-UHFFFAOYSA-N	417.509	5.082	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1sccc1Br	563829532	IQASWUOYWKBHBD-LLVKDONJSA-N	410.362	5.227	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccnc2)cc1	571361283	RZLOFVAAQHIFST-UHFFFAOYSA-N	400.482	5.436	30	20	HKED	
N#CCCC[C@@H](N[C@@H]1CCc2c(Br)cc(Cl)cc21)c1ccccc1	572428649	GYFHYXPEHBYWQC-WOJBJXKFSA-N	403.751	6.115	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Cl	580229041	OGZCRKXCTWDBSU-NSHDSACASA-N	423.763	5.915	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccnc(-c4ccc(Cl)cc4)n3)n2)cc1	582262902	WMGXTFKIOKGGPD-UHFFFAOYSA-N	417.881	5.044	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1	590106664	ILFZZLYDIJORGW-QFIPXVFZSA-N	411.465	5.302	30	20	HKED	
Cc1cc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C)s1	590288510	INOFFXSGZOMQLT-UHFFFAOYSA-N	418.518	5.417	30	20	HKED	
COc1ccc(C(=O)CCCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	596104049	OXPDAVUQPJCMGK-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
CSCc1c(C(=O)N(Cc2ccco2)c2ccccc2C#N)oc2ccccc12	603531235	ROGXIQOJLJAHFF-UHFFFAOYSA-N	402.475	5.607	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cl)o2)cc1Cl	603747909	ZLIUOGLSBKZKAP-KRWDZBQOSA-N	400.265	5.564	30	20	HKED	
COc1ccccc1-n1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1cccs1	603976528	FHYSZIKMAFSRBU-KRWDZBQOSA-N	418.547	5.231	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2ccco2)Cc2cccs2)c1	609081043	DVIHGXUKNXKYHF-UHFFFAOYSA-N	403.410	5.048	30	20	HKED	
CCCCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc(C)c1C	609370612	HUGBEERVIBIZHN-OAHLLOKOSA-N	416.616	5.425	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	609377635	IWZARJJFSJOGGA-XYPHTWIQSA-N	404.457	5.699	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	609863319	LFRFGLKOERZGAQ-INIZCTEOSA-N	406.869	5.197	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	609970818	LDWBEWWCOVFPCF-CABCVRRESA-N	406.473	6.232	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(Cl)c1	609988025	BOGZTLZSVPTYDJ-UHFFFAOYSA-N	404.857	5.166	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Oc4ccccc4)ccn3)cn2)c1	610396031	VRENOKMMWCLEFP-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@@H](C)N[C@@H](C)c3cccc(C#N)c3)s2)cc1OC	610830329	MNVWBDDAVRRMLF-JKSUJKDBSA-N	421.566	5.343	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F	612376737	JKHYIAGWNDIMAW-UHFFFAOYSA-N	408.317	5.205	30	20	HKED	
C=CCN(C(=O)c1cc(C)[nH]c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	617955583	VWVISRIWEHPZCV-UHFFFAOYSA-N	406.338	5.895	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@H]1CCc2cc(C#N)ccc21	619554602	XVSDJXFZCDKUCB-SFHVURJKSA-N	412.276	5.246	30	20	HKED	
C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl	674439155	VZDSDOJYUMFOMQ-LPEHRKFASA-N	420.756	5.312	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C1CC1	683690210	ZHMWZQRPWKGMCH-OAHLLOKOSA-N	416.424	5.691	30	20	HKED	
Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	728015703	BEECSORULPNHHP-OUKQBFOZSA-N	418.518	5.167	30	20	HKED	
O=C(Nc1cccc(/C=C\C(=O)c2ccc(C(=O)O)s2)c1)c1ccc(Cl)cc1	730589688	MJMKRPFRUSABNL-WTKPLQERSA-N	411.866	5.248	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1SC[C@H](C)C#N)O[C@@H](C)C2	730989205	IQLFYGPWZNKIIO-ZUQFGZKASA-N	422.550	5.312	30	20	HKED	
CN(C)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	730993612	CQFBZSVTPAVAMJ-UHFFFAOYSA-N	421.488	5.348	30	20	HKED	
COc1cc(/C=C2\Cc3cc(F)ccc3C2=O)cc(Br)c1OC(F)F	734305407	TXWJBOLOXCUMDK-NYYWCZLTSA-N	413.189	5.021	30	20	HKED	
C=CC[C@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccncc1	734458929	GIHQMDGECPSMBY-AWEZNQCLSA-N	410.848	6.016	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1	734934102	CXLZCAUBLXKHFA-OXQOHEQNSA-N	411.571	5.091	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Cl)cs1)c1nc(-c2c(F)cccc2F)cs1	737325350	BMXIEZPFOKEWCM-GFCCVEGCSA-N	408.882	5.612	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)C2(c3cccs3)CCCCC2)c2ccccc21	738701980	MQMIFTBBXUFEMF-UHFFFAOYSA-N	420.534	5.244	30	20	HKED	
O=C(/C=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c(Cl)nc2sccn12	741842886	DAFWIOFCIIWDLE-ZZXKWVIFSA-N	422.819	5.150	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1	741993306	QAWKDYGPMDYMOW-ZHACJKMWSA-N	423.394	5.094	30	20	HKED	
N#Cc1c(Cl)nsc1NCc1ccc(Oc2ccccc2C(F)(F)F)nc1	742418090	LWGWHCFKRHONCR-UHFFFAOYSA-N	410.808	5.486	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1NC(=O)OC(C)(C)C	744017052	XXLONYOQLSYVTK-OAHLLOKOSA-N	407.495	5.442	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1	744030115	ZRYKSGLCLPYCBC-KSSFIOAISA-N	402.416	5.109	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)N[C@H](C#N)c3cccc(Br)c3)ccc2c1	749615193	KXYIJMMMQAYQAY-VMLCMGRWSA-N	421.294	5.005	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(NC(C)=O)c(C)c1)c1ccc(C(F)(F)F)cc1	750284570	KBRQMMOYNVVHPR-HXUWFJFHSA-N	419.447	5.801	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl)c1ccccc1	753178412	NKJSDACIEXZPNM-IAGOWNOFSA-N	404.297	5.161	30	20	HKED	
COc1cccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	753396093	SCRVZTIXVKBULV-AUUYWEPGSA-N	410.926	5.842	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1)c1ccccc1	757039293	NQEGRIKRVKGUKS-SESVDKBCSA-N	415.578	5.029	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccc(Br)cc2C1	765183080	VVXOXEKBSYLVAK-ZDUSSCGKSA-N	416.344	5.249	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	767589464	ULXYSXSKCKDAHF-HTAPYJJXSA-N	415.541	5.485	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1OC	772980539	SEVYSCUMNQEPNS-XXBNENTESA-N	407.558	5.217	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)cn1	773429854	WQDWVYYXZSBOPI-UHFFFAOYSA-N	414.509	5.257	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cc3cc(Br)ccc3o2)c1	776165634	TVOKOIOJIBIUJS-RDTXWAMCSA-N	413.315	5.727	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)Cc2ccccc2CC#N)cc1F	776852839	ZKGDXAAZHZGYRV-UHFFFAOYSA-N	404.441	5.182	30	20	HKED	
N#Cc1ccc(CN(Cc2ncc(Cl)cc2Cl)c2ccc3nc(O)[nH]c3c2)cc1	777620462	PXQPWIHQSAIADZ-UHFFFAOYSA-N	424.291	5.049	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cccc21	778611134	BJVHWDPGRSGBKY-QGZVFWFLSA-N	417.465	5.006	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	780589994	OREVIAYQGKYRMG-MRXNPFEDSA-N	406.486	5.140	30	20	HKED	
OC1(c2cccc(F)c2)CCC(=NNc2nc(C(F)(F)F)nc3ccccc23)CC1	783811382	SVHQACCBZSTBDB-UHFFFAOYSA-N	418.394	5.017	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCc3ccc(Br)cc3C2=O)cn1	792887990	WEKKPIOTQPCXIO-MHWRWJLKSA-N	421.294	5.127	30	20	HKED	
CC(C)Sc1cccc(Cl)c1/C=C1\CCc2c(cnn2-c2ncccn2)C1=O	792898578	DHKNFHKOYWFZBG-SDNWHVSQSA-N	410.930	5.029	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1	793254038	HTLXFGCVPWEEEH-UHFFFAOYSA-N	419.525	5.243	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1	795990417	KLDXYULBOFQFKU-GBXCKJPGSA-N	416.452	5.136	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)N[C@H](CCCC#N)c1ccccc1	814597852	HIHJQPAHSXGCDW-GOSISDBHSA-N	400.320	5.623	30	20	HKED	
COc1ccc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1OC(F)F	818246751	XJCBFWHYAYYWAW-CKOAPEAFSA-N	401.365	5.035	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccccc2F)s1)CCCC3	912780933	OAXZVTWKLFHCHY-UHFFFAOYSA-N	409.511	5.087	30	20	HKED	
CCCOc1ccc(C=NOCc2coc(-c3cccc(Cl)c3)n2)cc1OC	914571647	BEDSZOWGLDUWMN-UHFFFAOYSA-N	400.862	5.343	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1c(F)c(F)c(F)c(F)c1F	915057041	NIQLYJQFPAKLBV-UHFFFAOYSA-N	411.399	5.043	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCSCc2ccccc2F)cc1	915350295	QAVLDQAXPIPODK-JOCHJYFZSA-N	419.525	5.536	30	20	HKED	
C(=NNc1nncc2ccccc12)c1cn(Cc2ccccc2)nc1-c1cccs1	915914673	UGDZORGIWBWMQT-UHFFFAOYSA-N	410.506	5.049	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1Cl	916057450	QTFRJZXGWTVPHC-IBGZPJMESA-N	414.848	5.354	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3	920106585	TXEHYGUGWTVWGX-VLIAUNLRSA-N	409.489	5.288	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1	920142617	LROAPROZZBGYDN-QGZVFWFLSA-N	412.898	5.036	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC)cc3)cc2)CCC1	1787999714	NRZGMKVRJNGICW-QHCPKHFHSA-N	417.553	5.244	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=C(C)CC3)cc2)CCC1	1789115058	QCQGSWNWMTUTEM-QGZVFWFLSA-N	402.485	5.078	30	20	HKED	
C=C1CC(C(=O)N2CCC3(CCCN(C(=O)[C@@H](c4ccccc4)[C@@H](C)CC)C3)CC2)C1	1809152656	DTHNFVJAWMTTIU-XUZZJYLKSA-N	422.613	5.014	30	20	HKED	
CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1	1830017472	XAHIFTXNSZCGPV-YKSBVNFPSA-N	423.601	5.008	30	20	HKED	
C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccc(F)cc1	6094972	WRFLHEKOUKLMRL-UHFFFAOYSA-N	406.486	5.035	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1	10657554	XNZYONXBKZTITC-AWEZNQCLSA-N	422.583	5.188	30	20	HKED	
N#Cc1ccc(CCC(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	25633707	YWZNTFGLBFNWDR-UHFFFAOYSA-N	416.424	5.377	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccco1	29991238	NRHHZVOTWWCCSS-OAHLLOKOSA-N	410.543	5.141	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccc(C)c3)no2)nnc1-c1ccc(Cl)cc1	32326361	UANDZXOJLQIBIO-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4o3)s2)cc1	41539731	KYUKMMWJEFVYEF-INIZCTEOSA-N	403.463	5.149	30	20	HKED	
Cc1ccc(OCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(C)c1	47974630	IPIAYKVBBAPUMV-UHFFFAOYSA-N	401.466	5.078	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1	60347586	YPKFAUCGTVDJDN-UHFFFAOYSA-N	402.425	5.169	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1	65773058	NNSNRRGNKMOZHV-UHFFFAOYSA-N	412.367	5.288	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cs2)o1	66037355	CKOAQFYOGHTBGY-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(CSc2ccccn2)c1	109690339	OLKRBBOWZYUKFQ-UHFFFAOYSA-N	421.525	6.165	30	20	HKED	
CSc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1[N+](=O)[O-]	195633854	PVAQFLNTUIRYAX-UHFFFAOYSA-N	419.462	5.541	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2ccc(-c3nc4ccccc4s3)o2)cc1	236666605	KWFXSQHZUPOYNE-UHFFFAOYSA-N	404.495	5.476	30	20	HKED	
C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	261477100	YCDGHLBCQYXWBK-CABCVRRESA-N	411.962	5.268	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(N4CCc5ccccc54)CC3)c2)cc1	410286234	NAUFYBZBXVTNGZ-UHFFFAOYSA-N	423.516	5.018	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)c1ccc2c(c1)OCO2	428196863	GJHZAAIXDZORQM-MRXNPFEDSA-N	400.434	5.130	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)s1	430631851	VRXRTKLQCAPJSA-LJQANCHMSA-N	400.507	5.546	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	432806854	QGWLSQGMCMTASD-UHFFFAOYSA-N	424.863	5.753	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1	433953403	JXZNZNLKMJQPFZ-UHFFFAOYSA-N	413.264	5.019	30	20	HKED	
CCOc1ccc2c(c1)CCN(C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)C2	434222250	GZTPNUJLUUOBQS-UHFFFAOYSA-N	413.477	5.339	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1	438074521	NBKGWAMFDVAHCL-CTNGQTDRSA-N	422.598	5.067	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1)c1ccccc1	438867056	KUQNJFBKHOBVRX-JOCHJYFZSA-N	404.489	5.241	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@@H](C#N)c1ccccc1F	439086520	PFHAQLLYTGTARS-INIZCTEOSA-N	404.228	5.091	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(Cl)c2Cl)c(OC(F)F)c1	439538528	BKPDEJSDDUZZMY-UHFFFAOYSA-N	417.264	5.338	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)CC1	441305988	IMXGXVVIVBPBDB-UHFFFAOYSA-N	422.476	5.204	30	20	HKED	
N#Cc1ccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1C(F)(F)F	462169733	MTKGAJCRPIYMRL-UHFFFAOYSA-N	412.293	5.258	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc(C(F)F)cc2)cc1OC	462650367	RHZZKFADUHLYDS-UHFFFAOYSA-N	412.274	5.250	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	463970097	LBSSLYMVWUVQNZ-FUHWJXTLSA-N	409.555	5.331	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c(Cl)c1	467444385	OMKJKTXYDNZLAQ-KRWDZBQOSA-N	422.685	5.482	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F	470153549	TZTDLGWKJRYQQT-GMEUVTARSA-N	406.729	5.065	30	20	HKED	
COc1ccc(-c2nnc(S[C@@H](C)CCC#N)n2C2CCCCC2)cc1OC	470439780	YPTSUALMWOQOSW-HNNXBMFYSA-N	400.548	5.252	30	20	HKED	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	471781162	OYRYOEHQVGEDDP-CYBMUJFWSA-N	414.600	5.309	30	20	HKED	
CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(OC(F)(F)F)cc1	473411593	MJAHMIGHLYYTSA-UHFFFAOYSA-N	406.404	5.184	30	20	HKED	
COc1cccc(Cn2c(NC(=O)C[C@@H](CC#N)c3ccccc3)nc3ccccc32)c1	475599444	DQGVAXGKBGUNTH-OAQYLSRUSA-N	424.504	5.119	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1	476657772	IVTYTPQSUVVLDS-MRXNPFEDSA-N	412.358	5.123	30	20	HKED	
COc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(OCc2ccccc2)c1	476910875	UNWRFOBHLWCGDB-OAQYLSRUSA-N	400.478	5.300	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1	479165063	MTKPSLAJUSVFDZ-MRXNPFEDSA-N	422.529	5.189	30	20	HKED	
CC(C)CN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1	480011607	QNFLTWGXVBOVRQ-GOSISDBHSA-N	420.513	5.006	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2	482371908	VGCOMGODVGBYQV-UHFFFAOYSA-N	412.534	5.362	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21	483328041	ASJKFRKFOLHLOI-RDTXWAMCSA-N	413.518	5.644	30	20	HKED	
C=CCN(C(=O)c1cc2cccc(C)c2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	488239783	CRWJPURSUGGUIQ-UHFFFAOYSA-N	419.462	5.606	30	20	HKED	
CC(C)CCn1ncc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1C(C)C	490475859	GMBOISWSKWCZEF-UHFFFAOYSA-N	420.513	5.349	30	20	HKED	
C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	491368392	PMYNDAKRYOBSGV-UHFFFAOYSA-N	409.555	5.268	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2c(F)cccc2F)cs1	497446203	WEVSKVQAOGSTJF-HNNXBMFYSA-N	408.429	5.097	30	20	HKED	
COc1cc(C(=O)N(C)Cc2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	498491112	QOMWCYLJHCIHQY-UHFFFAOYSA-N	420.896	5.071	30	20	HKED	
N#Cc1cc(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)ccc1Oc1ccccc1	501567821	GBXQIIHOGZOGAV-HCPAQRILSA-N	420.509	5.043	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1	502080441	LUYAMNIOOWAFHA-UHFFFAOYSA-N	415.474	5.120	30	20	HKED	
N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c1	502659472	CQKKMIGUDFXAFX-UHFFFAOYSA-N	424.504	5.108	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)o1	503497786	HLSSLKDUEVKJKG-UHFFFAOYSA-N	412.493	5.658	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1	507831893	UTTZSBOEZHYPKA-AWEZNQCLSA-N	423.419	5.076	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccco2)c1	508649263	GPTIKFNDFJHUHD-VWLOTQADSA-N	408.457	5.250	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1	508969622	YBTQRAHMVSJPAB-CYBMUJFWSA-N	405.267	5.002	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(CCC(F)(F)F)cc1	509275475	FDLJNZSJXTUWCL-INIZCTEOSA-N	407.329	5.744	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2)n1	509983063	AXFWYLGUZHALPG-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	510239463	ULSAVJKXVJLIDM-UHFFFAOYSA-N	406.873	5.480	30	20	HKED	
CCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(C#N)cc1	510379001	ZKFYXHLWOMTRDT-UHFFFAOYSA-N	413.264	5.114	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1c(F)cccc1F	510660212	GKXXVNOFYXNLMA-OAHLLOKOSA-N	407.420	5.820	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc2cc(Cl)ccc2s1	511340138	BWXQAYHCUWGTGH-AWEZNQCLSA-N	413.289	5.279	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C(F)(F)F)c1	512853223	VDJRLFNOYJRLKM-KSSFIOAISA-N	407.461	5.672	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1	512887684	ACSHTOZFKSGBCY-NRFANRHFSA-N	423.476	5.179	30	20	HKED	
CC(C)(C)c1noc(CCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)n1	518338061	JRJRMFLVQXVYLO-UHFFFAOYSA-N	422.916	5.058	30	20	HKED	
N#Cc1c(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)sc2c1CCC2	520000478	DOEBROCNHASTJS-UHFFFAOYSA-N	420.346	5.791	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1ccccc1SCc1csc(C)n1	520335148	FPDQKDGEPVHRIL-UHFFFAOYSA-N	410.564	5.239	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1	520572255	QXCUWOIOVWJXBS-SFHVURJKSA-N	423.582	5.833	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	521720849	YOVZCRXOXQQLOU-CABCVRRESA-N	404.988	6.167	30	20	HKED	
N#Cc1ccc(CCC(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cc1	525103378	BVKOXHGXQWKMTR-UHFFFAOYSA-N	417.336	5.115	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	525555097	DOHIUKKTGFTABD-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
COc1ccc(-c2nc(CSCc3ccc(OC)c(C#N)c3)cs2)c(OC)c1	532618432	GWBKTRMHYRFFIU-UHFFFAOYSA-N	412.536	5.141	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccc(Cl)cc1	532927397	FMUIPRPSLXRCIJ-INIZCTEOSA-N	401.963	5.195	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1)OCC	533717778	LFWLOTLJQYJQKV-HSZRJFAPSA-N	420.509	5.132	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1Cl	534909554	IXZQEOPTGYWLAP-HXUWFJFHSA-N	403.869	5.376	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1Cl	536384551	ZDCLMLSDKKMZIW-LJQANCHMSA-N	405.816	5.138	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3nc(-c4ccccc4OC(F)F)cs3)cc2)CC1	540714334	XFKOMRFMRYLEHI-UHFFFAOYSA-N	411.433	5.219	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)c1cc(Cl)ccc1C#N	541997237	ZGTJBKCGHWFUHR-UHFFFAOYSA-N	419.790	5.471	30	20	HKED	
N#CCc1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1	542207695	UMMXXFKNIYRSBW-UHFFFAOYSA-N	412.533	5.127	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)n1Cc1ccncc1	545855493	HQPITVFZDFWPLR-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
Fc1cncc(CCc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c1	546991197	HXIBSKQBYDDVDQ-UHFFFAOYSA-N	405.273	5.094	30	20	HKED	
Cc1cc(CN2CCSCC2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C	555657625	OUJFADDMNXGNEJ-UHFFFAOYSA-N	421.591	5.191	30	20	HKED	
COc1cccc(Oc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)c1	559144992	GCBIKMAOKPPIMG-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC(F)(F)C1	560106145	AWDPXQHQRJZICD-JTQLQIEISA-N	418.328	5.301	30	20	HKED	
Cc1ccc(Br)c(C)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	567770326	GVKFUYZFXYYAJI-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)C1	570475806	XGHQUEPLJMQMHH-KBMIEXCESA-N	403.526	5.376	30	20	HKED	
C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	572414130	IVYASCQUAXZVCY-MHECFPHRSA-N	412.493	5.751	30	20	HKED	
N#Cc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)c(C(F)(F)F)c1	579173875	JPZIZMSLUGEJTJ-UVTDQMKNSA-N	402.397	5.592	30	20	HKED	
N#CC(CCn1cc(C(F)(F)F)cc(Cl)c1=O)(c1ccccc1)c1ccccc1	580618210	WYQOIYFBACIHGY-UHFFFAOYSA-N	416.830	5.420	30	20	HKED	
N#CCCCCCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	588162115	OGSRMGIIZKSWEO-XMMPIXPASA-N	409.961	5.048	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1	601139003	IDOVFFUVDUDUON-FQEVSTJZSA-N	423.944	5.176	30	20	HKED	
COc1ccc(O[C@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	603532439	HOWYZWGGLRJDLY-GOSISDBHSA-N	418.468	5.015	30	20	HKED	
CCC[C@H](C#N)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1	608815485	RKZXCVFAXXLHSK-CQSZACIVSA-N	421.353	5.183	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cc1F	608915724	YDSVPZSYFIQDQR-UHFFFAOYSA-N	422.529	5.496	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12	609020073	AVKODMZWNXRMST-UHFFFAOYSA-N	416.868	5.370	30	20	HKED	
Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cnn1-c1ccc(F)cc1	609177157	KLWZHVYBSKYCAY-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)CC(C)(C)C)c3cnn(C(C)C)c3n2)cc1	609191488	ICWFPWQCOWNGIE-UHFFFAOYSA-N	417.557	5.390	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCOc1ccccc1Br	609378245	XQJLTZUZSCEWFD-CQSZACIVSA-N	419.344	5.108	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccccc1SC[C@H](C)C#N	609387201	SHISUOKCFJMHEE-ZIAGYGMSSA-N	403.935	5.039	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609499457	RGWJDCYRFBBHDW-UHFFFAOYSA-N	409.489	5.469	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)sc2c1	609569435	ISQZCVDDXISINQ-UHFFFAOYSA-N	412.898	5.195	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)cn1	609643572	JNCZWMALOSPMLH-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1	609757625	NOVPCDZQELTJNN-JOCHJYFZSA-N	412.965	5.144	30	20	HKED	
C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1cccc(C#N)c1	610362899	VJIUKQLICMWQHA-QGZVFWFLSA-N	412.518	5.023	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc2ccccc2n1	613290520	DXALWQLGMXPQSZ-OAHLLOKOSA-N	411.511	6.063	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	618801975	CNPVNTLEAWAZCE-MGPUTAFESA-N	402.523	5.038	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCCC[C@H](COC)C1	685540500	VZYIGVIEDBISTQ-PMACEKPBSA-N	420.557	5.010	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1C	685558548	QWAYWYGBOODVCF-VXNXHJTFSA-N	414.553	5.359	30	20	HKED	
COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O	726626216	BDHYCMOOFYWYEU-APSNUPSMSA-N	421.330	5.279	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cnc(-c2ccccc2)nc1	727267125	CXAOFJMVUIVGTH-GHXNOFRVSA-N	401.466	5.611	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	728766926	PJLRIJBARMWVEP-KDOFPFPSSA-N	410.926	5.842	30	20	HKED	
Cc1ccc2c(c1)C(=O)/C(=C\c1cc(Br)c(O)c(Br)c1)C2	730948201	BZJZILNDGROIDS-XGICHPGQSA-N	408.089	5.048	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)NCCc1ccc(Cl)cc1Cl	730954776	KKGOEUSAOXBXEG-CYBMUJFWSA-N	424.422	5.774	30	20	HKED	
O=C(/C(=C\c1nccn1Cc1ccccc1)c1nc2ccccc2s1)c1ccccc1	734096693	QIEGYVPKGTUNAR-HEHNFIMWSA-N	421.525	5.965	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C)cs1	743097824	XOIIKBFDWNHODP-OFNKIYASSA-N	404.539	5.554	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2cccc(OCC#N)c2)cc1	743102231	DWRQTJJGHVBNOE-SFHVURJKSA-N	415.493	5.489	30	20	HKED	
Sc1nnc([C@@H]2CCCCO2)n1N=Cc1ccc(-c2ccccc2Cl)s1	743452375	PULOOAMWGNNEHG-HNNXBMFYSA-N	404.948	5.073	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)ns2)cc1	747203681	CVWXRZHVLAYUDT-KXBFYZLASA-N	403.507	5.285	30	20	HKED	
O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(N2CCOC2=O)cc1	748584848	VALQQPSJTLTXMN-NTMALXAHSA-N	420.446	5.176	30	20	HKED	
Cc1nc(CCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1	750691169	WOJHULZPKPMDKJ-CYBMUJFWSA-N	409.458	5.279	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1C#N	752268331	LXLRVGJLNNQUJO-UHFFFAOYSA-N	420.391	5.266	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1	754899232	GTFGWVNMAXCJAY-OAHLLOKOSA-N	404.853	5.063	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccccc1	758583591	GSRPECSSDSPYGB-MHECFPHRSA-N	415.493	5.293	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc4cc(Br)ccc4c3)o2)c1	763242073	JAMLVXAYRRECCL-UHFFFAOYSA-N	405.255	5.136	30	20	HKED	
O=C(CCc1nc2ccccc2o1)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F	764901636	AXUVOSAFNKTBHR-UHFFFAOYSA-N	421.268	5.079	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN(CC)[C@H](CC)c2ccncc2)c1=S	765027478	JBLILNKUFFOPRZ-OAQYLSRUSA-N	407.587	5.401	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1cccc(OCc2ccccc2)c1	765338750	DNTPXZQZJHILFN-MOPGFXCFSA-N	415.493	5.439	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCCC(Cl)(Cl)Cl	767055520	YOQSMSWXJDWSEN-UHFFFAOYSA-N	410.729	5.035	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1	768873728	VRGJJDHSURHBLN-MJGOQNOKSA-N	403.404	5.066	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	770471291	ROTMYXBKZCNAGY-IAQYHMDHSA-N	417.303	5.568	30	20	HKED	
COc1ccc(C[C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2)cc1OC	776155334	DZEBPKSXSOMQOL-DVECYGJZSA-N	416.521	5.241	30	20	HKED	
Cn1cc(CNc2ccc(CC[C@H](O)c3ccccc3)cc2)c(-c2ccc(C#N)cc2)n1	778103355	QLFOWTJVNKMLFQ-SANMLTNESA-N	422.532	5.237	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1	780303662	WAUYZCNKDNXLTR-LJQANCHMSA-N	400.459	5.344	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CC(C)(C)c3ccccc3C2=O)cs1	794968437	NHQSJBMNKJBVLI-QGOAFFKASA-N	416.546	6.084	30	20	HKED	
N#CC[C@@H](CC(=O)OCC(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1	795992715	RDKWPQQDULEQTE-QHCPKHFHSA-N	424.500	5.081	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1nc2cc(C(F)(F)F)ccc2s1	796813099	WIVGWAUOPJDDPC-ATZCPNFKSA-N	406.351	5.470	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1	802043200	SWRRZLVKPDXJEA-RTBURBONSA-N	420.406	5.406	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C\c2ccc(-c3ccncc3)cc2F)C(=O)c2ccccc21	802707008	CNVDJCJBYSDCSN-JJEHFPDLSA-N	401.437	5.204	30	20	HKED	
C[C@H](OC(=O)c1cc(C#N)ccc1Cl)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	803833883	JCCNINZDDJTUKL-VIFPVBQESA-N	422.655	5.486	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)Cc2csc(-c3ccccn3)n2)cc1	818044593	VOHIDCXBWFBWPM-UHFFFAOYSA-N	411.486	5.030	30	20	HKED	
COC(=O)CCSc1cc(Cl)ccc1N[C@H](C)c1ccc(OCC#N)cc1	864024639	DJYHNRWURXJAJL-CQSZACIVSA-N	404.919	5.071	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915199497	DEBAPBLUQUMFCV-RUZDIDTESA-N	420.516	5.456	30	20	HKED	
CSc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	916133408	MFTIDQDVSZNCSR-NTEUORMPSA-N	407.922	6.210	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2C(C)C)c(C)c1	916312508	AZOAPEIFQZMKPB-UHFFFAOYSA-N	416.554	5.042	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1	916955371	PUXAAIFDXYBBJA-LIRRHRJNSA-N	421.497	5.424	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COC3CCCCC3)cc2)CCC1	1786014709	BEZOHOGJPAXFJF-QHCPKHFHSA-N	424.585	5.238	30	20	HKED	
Cc1ccc(-c2ccccc2C(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)cc1	1787649196	SBJYTKZYNMWVFQ-UHFFFAOYSA-N	423.516	5.323	30	20	HKED	
CC(C)CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1	1791255798	HBNYWVSESWXVKR-LJQANCHMSA-N	417.553	5.498	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccs3)CCC2)cc1	1791727897	HPQMLBBADTVWAI-CCEZHUSRSA-N	406.551	5.089	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1	1831376300	NTILHARZAWBSCM-PGRDOPGGSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccccc1OC	6076768	OTBWNCNOGNKQIV-QGZVFWFLSA-N	407.539	5.120	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(O)c2)cc1	10173473	QARCWCADOYEGRP-UHFFFAOYSA-O	417.963	5.008	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccccc1CC	10174347	RZVDLPJJXFLLMX-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(CC)c2)cc1	10174498	IEYWZCBSZHUCKX-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c(F)c1	10538183	ZRTIMKJMMKNFQO-UHFFFAOYSA-N	406.511	5.358	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(Cl)cc2)cc1	10831794	YCDYOUMDYQMNJG-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2o1	41542017	SWOXVFDZYMGXJE-INIZCTEOSA-N	403.463	5.215	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1	56757988	JTXDYWHHNQHAIA-QHCPKHFHSA-N	403.526	5.178	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CN(CC)[C@H](C)c2cc3ccccc3o2)cc1	64348839	CEWDRNWUKBFHAR-LJQANCHMSA-N	419.525	5.161	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)sc1-c1ccc(F)cc1	78720146	GCUZAZXCDBGQIX-OAHLLOKOSA-N	410.539	6.509	30	20	HKED	
CN(CCOc1ccc(F)cc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	302798725	MJIZXUPSGNWPLE-UHFFFAOYSA-N	420.509	5.141	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N(C)c3cc(Cl)ccc3C#N)s2)c(F)c1	409976645	KOYWPKAREGIFEI-UHFFFAOYSA-N	415.877	5.068	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ncc(-c2ccccc2)o1	427118487	XYQQPNCRMFNNOQ-SFHVURJKSA-N	423.586	5.001	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2ccncc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	428952864	MWYNIFVRVWZPAO-LJQANCHMSA-N	410.521	5.270	30	20	HKED	
Cc1cnc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	429044776	FDKPVVXNXLLNSV-CYBMUJFWSA-N	412.902	5.652	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(C(F)(F)F)c1	432692452	IXFFUWQWQBQMHZ-SFHVURJKSA-N	418.419	5.220	30	20	HKED	
N#Cc1ccnc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)c1	436017230	XPKBDCBGPOWDMV-UHFFFAOYSA-N	403.438	5.138	30	20	HKED	
FC(F)Oc1cccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	436416181	YQLAJQMGBFRKSN-OAHLLOKOSA-N	413.308	6.090	30	20	HKED	
N#CCC[C@@H](NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1	438938647	PFODGMVWLKSYHS-LJQANCHMSA-N	402.416	5.069	30	20	HKED	
CCCc1c(NC(=O)Nc2ccccc2Br)cnn1-c1cccc(C#N)c1	439278082	TYHKKDJLCWCVFW-UHFFFAOYSA-N	424.302	5.103	30	20	HKED	
CCCc1c(NC(=O)c2c(C)[nH]c3ccc(Cl)cc23)cnn1-c1cccc(C#N)c1	440086021	CZUHXQCCGAPENQ-UHFFFAOYSA-N	417.900	5.392	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)N[C@@H](CCC#N)c1ccccc1	440254778	LSNHLLJSWBJWNO-QFIPXVFZSA-N	419.550	5.514	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2OCc2cscn2)c2ccccc21	444142219	KKEQWTYLAFEWAR-UHFFFAOYSA-N	416.506	5.233	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(Br)s1	444762559	AGBXGLOITGQTQS-LBPRGKRZSA-N	411.390	5.078	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@@H](c3nc(C(C)(C)c4ccccc4Cl)no3)C2)n1	445694368	DXMMKICSKUVROG-QGZVFWFLSA-N	421.932	5.008	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cc(C#N)cc1F	445797138	GGOPRZBKRKGYLF-UHFFFAOYSA-N	411.355	5.113	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)n1	447346043	BDGNFKGQCMEWBR-NSHDSACASA-N	422.407	5.247	30	20	HKED	
COc1ccc2sc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c(C)c2c1	461083495	DSSMRHORQXTVIG-INIZCTEOSA-N	405.306	5.520	30	20	HKED	
CC(C)(C)c1cnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	464093954	IWKRYBMEHHYOHU-UHFFFAOYSA-N	407.564	5.857	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464420747	ZESYYBVBJMMFPW-AWEZNQCLSA-N	409.389	5.001	30	20	HKED	
COc1ccc(-c2nc(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)c(OC)c1	464810144	DKVJZOFXPAXDBO-YADHBBJMSA-N	419.550	5.099	30	20	HKED	
Cc1ccc(C[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c2ccccn2)cc1	466021905	LJFZESFAHZONAU-DMTNHVFBSA-N	424.548	5.155	30	20	HKED	
N#Cc1ccccc1CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1	468486113	CDKMCFKVKTWDCU-UHFFFAOYSA-N	406.898	5.404	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1	470148603	VYUYCBIETUHWCE-UHFFFAOYSA-N	405.542	5.231	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CCCCOc1cccc(C#N)c1	470308881	NWFTYQJKNJXPIS-FQEVSTJZSA-N	404.432	5.226	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl)C1CC1	471649411	RCKVWOWKVJPYAJ-GFCCVEGCSA-N	405.285	5.337	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H]1c1ccncc1	476492218	QMBAHGVQMAAHRF-JOCHJYFZSA-N	417.896	5.622	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1N(C)C1CCCC1	476660836	VGKJADSITKKYAR-UHFFFAOYSA-N	409.578	5.453	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)s1	477842178	PJDARUIQELEODQ-HNNXBMFYSA-N	401.413	5.331	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1	479521368	DBCIBQYOHQKBAR-UHFFFAOYSA-N	413.502	5.310	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1	479640402	FJWVWEUAFOWWDO-UHFFFAOYSA-N	413.502	5.237	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(N4CCCCC4=O)c3)c2)cc1	482836079	CHRZCKIWNYKDCQ-UHFFFAOYSA-N	411.461	5.120	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4c(F)cc(F)cc4C3)cc2)c1	483318480	CMVWDRZSCVCLTD-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccccc2SCc2occc2C(=O)O)c1	485639559	UXOBMBVJMJEPBF-UHFFFAOYSA-N	423.490	5.477	30	20	HKED	
C=CC[C@H](C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1	488719636	XJGXHTPHXQIIEK-QHCPKHFHSA-N	402.469	5.054	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)COC2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	492539644	NKMITPAPROWLBM-JHXAUMMHSA-N	404.535	5.131	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)c1C	499730947	JMTOZTUFIKACCV-MBSDFSHPSA-N	422.573	5.455	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)c2ccccn2)c1	499863181	MGGRJKADUIDRTM-SANMLTNESA-N	418.500	5.096	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1csc(CCc2ccccc2)n1	499913615	PDNKNTYDHPHNBS-UHFFFAOYSA-N	403.551	5.098	30	20	HKED	
N#Cc1ccc(C2=CCN(Cc3nc(O)c4c(-c5ccccc5)csc4n3)CC2)cc1	502505944	IHCWBTBXSRWZER-UHFFFAOYSA-N	424.529	5.225	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1	505807739	CZIXBAVXTAVRSZ-NRFANRHFSA-N	410.945	5.067	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C	511565316	JTVIXMYQZNOTSP-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc(OC)c1C(C)C	511596703	HLQYZGUWNJVZEX-OAHLLOKOSA-N	407.297	5.129	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1	512541575	VYURNAUPEUNNOL-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
COc1c(C)ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C	513991917	LKXQRJHVOMDXJM-UHFFFAOYSA-N	417.484	5.557	30	20	HKED	
Cc1cc(C)c(C#N)c(SC[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)n1	514484043	UPRRPXYHLXUZEI-URXFXBBRSA-N	418.562	5.138	30	20	HKED	
O=C(CCCc1ncc(-c2ccccc2)o1)Nc1cccc(C#Cc2ccccn2)c1	515088799	XSUAFVIJSLKLCS-UHFFFAOYSA-N	407.473	5.098	30	20	HKED	
CCn1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21	518871007	PXRZUAGOJWPPNO-CQSZACIVSA-N	407.445	5.553	30	20	HKED	
COc1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1OCc1ccccc1Cl	520520371	FOERHISYANLXNM-UHFFFAOYSA-N	414.933	5.330	30	20	HKED	
C=C(C)CN1CCC(NC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)CC1	520682777	OYCSRYZRLIYWAH-JOCHJYFZSA-N	415.002	5.330	30	20	HKED	
C=CCN(Cc1nnc(-c2c(Cl)cccc2Cl)o1)Cc1ccc(Cl)s1	524000187	QGULXTGMJZEHFA-UHFFFAOYSA-N	414.745	5.947	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C	524389664	VIOAYLGLYGZWEH-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C(C)(C)C)cs1	524489235	ZKFMZYVGOZTSAO-MRXNPFEDSA-N	419.550	5.382	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC)c2cc(F)ccc2F)cc1	524901585	IYIAWLLDCDLWIU-NRFANRHFSA-N	413.468	5.052	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	525455213	KRCDNXQLJZNVBL-LJQANCHMSA-N	423.557	5.154	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1cccc(OC)c1	532632805	LGFIXWZJLSGYTN-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OC2CCC2)cc1Cl	534022633	FWWJJEBKFAIDLV-AWEZNQCLSA-N	400.931	5.918	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(OC4CCC4)cc3Cl)n2)c1	534787016	YXTZLPQVLJLUDO-UHFFFAOYSA-N	409.898	5.519	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1Cl	536186701	JDJBMYDCFBSJGY-IBGZPJMESA-N	424.287	5.240	30	20	HKED	
C=CCN(C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1)C1CC1	537927418	GXTJCFBYYVYFQJ-UHFFFAOYSA-N	403.482	5.005	30	20	HKED	
C[C@@H](Nc1ccc(COc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	537993622	QMMQFJPOLYFNOX-MRXNPFEDSA-N	417.534	5.127	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc(-c2ccccc2)cs1	542282180	PIPGLMWKQAQEAB-INIZCTEOSA-N	409.898	5.137	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccc(Cl)c(C#N)c1	545924839	LWQJUWCVQCRMCJ-UHFFFAOYSA-N	424.287	5.678	30	20	HKED	
CC(C)Cc1ccc([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	548899065	WIQVFLBIPWDHSY-DEOSSOPVSA-N	418.585	5.244	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@H](CCCC#N)c2ccccc2)CCC3)cc1	551208585	OBOUQIDXESFGQT-FGZHOGPDSA-N	417.578	6.221	30	20	HKED	
N#CCC[C@@H](C#N)CNCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F	554552453	ZBMYBDMGGRLIPW-ZDUSSCGKSA-N	409.358	5.309	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3csc(-c4ccncc4)n3)cc2)cc1	555287424	GTLNVBMUUPSYGJ-UHFFFAOYSA-N	412.474	5.316	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(OCc2cccnc2)cc1	555600837	ZLQGATUSFCCFDS-OAHLLOKOSA-N	406.873	5.068	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1	558317143	SJMWCORQYZIPET-UHFFFAOYSA-N	407.518	5.346	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1c(F)cccc1F	561135791	GCABVOBDZDOSBU-KGLIPLIRSA-N	406.523	5.792	30	20	HKED	
N#Cc1ccc(CNCc2ccc(-c3nc4ccccc4s3)o2)c(C(F)(F)F)c1	564407500	GKUGDAOAECQFIY-UHFFFAOYSA-N	413.424	5.737	30	20	HKED	
Cc1cc(Cl)c(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1Cl	565738147	QQTZFAXRIQCHBX-UHFFFAOYSA-N	406.288	5.168	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2	574422041	CACBVOITHOQICI-UHFFFAOYSA-N	419.984	5.898	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2cccc(NCC(F)(F)F)c2)c1	600862045	RWEIOTNTBWLNDM-UHFFFAOYSA-N	411.427	5.724	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)N(CCC#N)c1ccc(F)cc1	603452352	YRXSIWABJOSLOI-CYBMUJFWSA-N	407.308	5.016	30	20	HKED	
Cc1cc2occ(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2cc1C	603601356	VKDVFZJNMAWFEX-UHFFFAOYSA-N	411.461	5.598	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)cn2)c1	603691976	MNVVBWYDFVGIKI-JOCHJYFZSA-N	413.481	5.290	30	20	HKED	
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	609436839	HMFDETCAQNKVAP-HBFSDRIKSA-N	408.571	5.038	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)c2)cc1	609660614	VDNRJYDVIJLZLP-XMMPIXPASA-N	414.480	5.124	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H]2OCCc3ccccc32)c1	609724760	JWQQYVSELNKMCH-HSZRJFAPSA-N	418.880	5.048	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	610156905	FQVAGGKAYDDRPF-KBMXLJTQSA-N	420.456	5.579	30	20	HKED	
N#Cc1ccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)cc1C(F)(F)F	610388527	ZDMNTVFDNZMRME-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
CC(C)OC1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	611052214	XJSIVJRNNMFCHL-UHFFFAOYSA-N	408.567	5.317	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	611556751	XYVVBILBCOVPFU-ZBFHGGJFSA-N	403.404	5.545	30	20	HKED	
CC1(C#N)CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)CC1	611561279	JGZNPKNBTOURIP-UHFFFAOYSA-N	407.464	5.198	30	20	HKED	
Cn1c(SCc2ccc(C#N)cc2)nc2scc(-c3ccccc3Cl)c2c1=O	612646166	QZRXNEMNHYITAR-UHFFFAOYSA-N	423.950	5.479	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nc(-c2ccc(Cl)cc2)cs1	613319788	LAFFYNJSPZISMF-INIZCTEOSA-N	422.872	5.483	30	20	HKED	
CCN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@H](C)c1cccc(C(F)(F)F)c1	618847997	SFKJWLTYHFWOLX-VLIAUNLRSA-N	401.432	5.357	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(C#N)c(Cl)c2)cc1	619780841	FRIJMGUARDKNOO-UHFFFAOYSA-N	417.921	5.306	30	20	HKED	
O=C(Cc1c(F)cccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157187	MVTDOYMUVNZYPH-MYJAWHEDSA-N	405.741	5.047	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N(Cc1cccnc1)Cc1ccco1	678525525	MAUSYBQBVAOUAE-UHFFFAOYSA-N	413.502	5.370	30	20	HKED	
N#C[C@H](C(=O)c1cccc2c1CC(=O)CC2)c1nc(-c2ccc(Cl)cc2)cs1	685784657	VKFJHDOEMKQORZ-LJQANCHMSA-N	406.894	5.011	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1c(C)noc1C	727780893	WCSZYAWYNIBLMN-CMDGGOBGSA-N	403.301	5.382	30	20	HKED	
Cc1c(C(=O)/C=C\c2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727974076	FIOAHHFWYQJJEV-HJWRWDBZSA-N	409.423	5.139	30	20	HKED	
Cc1c(Cl)cccc1NC(=S)Nc1ccc(OCc2cccc(C#N)c2)cc1	727980659	QGNVXKKQLJJLFO-UHFFFAOYSA-N	407.926	5.908	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1	729647760	DFANENRYUQNSBM-LJQANCHMSA-N	413.905	5.196	30	20	HKED	
CCCN(Cc1ccccc1O)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	732282966	BVUUZGSKKMBENV-UHFFFAOYSA-N	400.478	5.303	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1)C1CC1	734303288	JRRVOXWRLBIONY-FARCUNLSSA-N	415.729	5.515	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739595003	CAHBHRWPBGNSDP-UHFFFAOYSA-N	419.531	5.171	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)s1	740014539	QYEZQHALOGFHFD-UHFFFAOYSA-N	415.474	5.745	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3cccs3)n2)cnn1-c1ccc(C#N)cc1	741852621	OVDCOBGWECEARW-RMKNXTFCSA-N	402.504	5.134	30	20	HKED	
CCCN(CC)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	744031206	UFTHSYMFMABUIR-QGZVFWFLSA-N	418.324	5.191	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1C	747198434	WMFHRYYOYYJGRM-KRWDZBQOSA-N	410.568	5.038	30	20	HKED	
CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1sc(-c2cccnc2)nc1C	747610279	BCMKUUPTHWILMW-UHFFFAOYSA-N	401.539	5.823	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccc(Br)cc2)s1)c1ccc2c(c1)COC2	751535878	QNOOSJYGSSRGJR-FPLPWBNLSA-N	412.308	5.499	30	20	HKED	
C=CCNC(=S)N(C)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1	751918121	OHCOHVZRJIOQTA-QGZVFWFLSA-N	409.780	5.184	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1C#N	752302008	CVVANSIXWZTIJA-LBPRGKRZSA-N	420.391	5.028	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1	758344727	LVLDUPFPSAROEK-KRWDZBQOSA-N	405.329	5.003	30	20	HKED	
Cc1sc2ncn(N=Cc3cc4ccccc4s3)c(=O)c2c1-c1ccccc1	758368611	YXFYSSXESDJTSH-UHFFFAOYSA-N	401.516	5.530	30	20	HKED	
N#Cc1cc(COC(=O)c2ccsc2NC(=O)c2ccccc2Cl)ccc1F	758948872	ZWIGBSJVDSMEKH-UHFFFAOYSA-N	414.845	5.022	30	20	HKED	
CC(=NNc1cccc2ccccc12)c1ccc(CNC(=O)OC(C)(C)C)nc1C	760249838	HLCMSHDRCHBHKO-UHFFFAOYSA-N	404.514	5.404	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3ccc(Cl)cc3C2=O)cs1	761207819	ZBCMSXOHSXUAQQ-GZTJUZNOSA-N	422.937	6.002	30	20	HKED	
CC(C)Oc1cc(O)ccc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	763720942	AVMCHBLFKAHJIN-NRFANRHFSA-N	401.466	5.479	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN(C)Cc2nc3ccccc3s2)c1=S	764860144	IBLUMEBREAQLRN-UHFFFAOYSA-N	413.597	5.028	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccccc2NCc2ccc(Cl)cc2)c1	765824576	UREOSOLLLGCEOU-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
O=C(/C=C/c1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)cc1Cl	768849997	VVADZVLHFNDTBD-CMDGGOBGSA-N	410.926	5.196	30	20	HKED	
CC(C)(C)CC[C@H]1NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O	771814945	BXQOGBFEIAVBJD-UYAOXDASSA-N	409.917	5.247	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](c3cccc4ccccc34)C2=O)cc1	771908029	WWTQUMUVVVXZMQ-RPBOFIJWSA-N	417.468	5.293	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Br)cc1C(F)(F)F	780162900	FYCUVNQUTDMRRD-JTQLQIEISA-N	413.193	5.011	30	20	HKED	
C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N	780672542	GCLFKHVEKMAHJA-RBSFLKMASA-N	405.420	5.310	30	20	HKED	
O=C(/C=C\c1scnc1C1CC1)c1ccc(Br)cc1Br	782306043	OXVVSWDUDLLOFL-WAYWQWQTSA-N	413.134	5.442	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787046826	SVNFMQWYFOYDLO-MSQAHXEGSA-N	421.349	5.053	30	20	HKED	
CCc1cccc2c1OC/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O	794726289	AXABGKCOUMLZQN-LFIBNONCSA-N	422.481	5.188	30	20	HKED	
Cc1c(C(=O)O[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)sc2ccc(C#N)cc12	796614025	HMQMJAMCSXRFTJ-PBHICJAKSA-N	424.547	5.052	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Cc2cncc3ccccc23)cc1	805855660	LQEXJVMNMATHQJ-XFAGBWLFSA-N	413.521	5.274	30	20	HKED	
O=C1/C(=C/c2c(F)c(F)c(F)c(F)c2F)SC(=S)N1c1ccc(F)cc1F	814277352	DUUMPEQTWQRMGC-WTKPLQERSA-N	423.334	5.066	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCc5ccc(N)cc54)c23)cc1	814761861	YBQOXLOXEJBKRR-UHFFFAOYSA-N	415.522	5.102	30	20	HKED	
CN(C(=O)c1cccc(C(=O)N(O)Cc2cccc3ccccc23)c1)c1ccccc1	901369684	FEXKQLCEYWDKQC-UHFFFAOYSA-N	410.473	5.148	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1	915085737	AUGDNIWRRIIIOH-RUZDIDTESA-N	408.501	5.432	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NNc1ncc(C(F)(F)F)cc1Cl	916290036	UFNKUVBOYPGPSN-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)cc1	916449871	QUUSWWRAQDEEBS-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
C=CCn1c(SC[C@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1cccc(C)c1	916983956	ZPTSYIPMFBVHJV-SFHVURJKSA-N	419.472	5.284	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995748	GZILCTPMADBVAN-OAHLLOKOSA-N	419.308	6.065	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997212	TWCYMVYOJKNUKE-INIZCTEOSA-N	419.308	6.065	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2cccc(C)c2)c1=S	917617815	UWEDFDZXKFMBEB-OAQYLSRUSA-N	420.582	5.379	30	20	HKED	
Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1ccc2ccccc2n1	918481246	HBGLKSSMYNANFH-KRWDZBQOSA-N	418.294	5.137	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	920269381	UACCGQOHWJVFOJ-QFBILLFUSA-N	405.523	5.281	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1	1789880791	SXVKHMQFBDFJGH-UHFFFAOYSA-N	417.534	5.134	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)CCC1	1791532427	LNJPPZYEWGUKBW-ZEQRLZLVSA-N	414.549	5.118	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Cl)c2)c1	10831177	WILYFOWUZBYCMV-UHFFFAOYSA-O	421.973	5.476	30	20	HKED	
C=CCN(Cc1nc(=O)c2c(-c3ccc(C)cc3)c(C)sc2[nH]1)Cc1cccs1	19540622	DESUXASGLJGKOB-UHFFFAOYSA-N	421.591	5.518	30	20	HKED	
CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	48855723	KKADGVIBSYDOIQ-GOSISDBHSA-N	411.486	5.063	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1Oc1cccc(F)c1	63393245	SGXVMYYEXRTKAW-UHFFFAOYSA-N	401.441	5.710	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)COC(c1ccccc1)c1ccccc1	65839573	IRKUBKDCQYPRHF-UHFFFAOYSA-N	400.478	5.090	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	105942571	VLDVOOJDOPBRDM-UHFFFAOYSA-N	415.320	5.796	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1	108590936	PZWGBVWRUKGQIR-UHFFFAOYSA-N	413.477	5.123	30	20	HKED	
CCN(C(=O)c1cccc(OCc2cn3ccccc3n2)c1)[C@H](C)c1ccc(C#N)cc1	108878938	TVTADARUSNUCQS-LJQANCHMSA-N	424.504	5.008	30	20	HKED	
COc1ccc(CNCc2c(C)cc(Br)cc2C)cc1OCCCC#N	147238784	UNBXOBXJUCLDRT-UHFFFAOYSA-N	417.347	5.047	30	20	HKED	
COc1ccc([C@@H](NCc2cccc(C#N)c2)c2ccccc2)cc1Br	237274503	BZWOCAPFNJCKSH-QFIPXVFZSA-N	407.311	5.209	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(Oc2ccccc2F)c1	426832299	HFEBDEUUXOBDLQ-UHFFFAOYSA-N	418.472	5.006	30	20	HKED	
Cc1cc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)c(C)o1	428915280	PUQQSDJIXXGIEC-UHFFFAOYSA-N	417.494	5.049	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(OC(F)(F)F)c1	431284693	WDLATBXPUUWSLS-KXBFYZLASA-N	405.420	5.381	30	20	HKED	
Cc1cnc(C2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)s1	432450618	PYTIRBFDKRZHKI-UHFFFAOYSA-N	402.523	5.087	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	432766395	HAEJFNMAIZRMTA-NRFANRHFSA-N	401.470	5.134	30	20	HKED	
CCCN(C(=O)c1cc(C#N)cn1C)c1nc(-c2ccc(Cl)cc2Cl)cs1	433524277	HTXFZUOMTVWSDM-UHFFFAOYSA-N	419.337	5.384	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1	438640145	FSIZZSYFQOFBPV-AWEZNQCLSA-N	401.482	5.065	30	20	HKED	
N#CCC[C@@H](NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1	438831741	AIFLPSZFVVUWIU-JOCHJYFZSA-N	405.448	5.398	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2ccccc2)C[C@H]1C	439312200	AEMIHQFNRBAMBK-SFHLNBCPSA-N	407.583	5.287	30	20	HKED	
CCOc1cc(Br)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439490316	HBLJHEOWQCKPIU-INIZCTEOSA-N	402.292	5.014	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1C	441067866	QSSBZHFVEHSEJN-UHFFFAOYSA-N	418.341	5.375	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1cnccn1	443507276	AMVMLJISODWBJN-ZDUSSCGKSA-N	424.917	5.083	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Nc2ncccn2)cc1	444604652	ADKWHEREZWWQLE-UHFFFAOYSA-N	423.501	5.495	30	20	HKED	
N#Cc1ccccc1Sc1ccc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc1	445407128	YNBMTZBQAMIMAM-UHFFFAOYSA-N	423.457	5.476	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1	447464150	VAFDFMWXYWMNHJ-UHFFFAOYSA-N	411.433	5.410	30	20	HKED	
Cc1ccccc1O[C@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	461356381	VZFPRMIJGUKODS-LJQANCHMSA-N	416.546	5.356	30	20	HKED	
N#Cc1c(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)sc2c1CCCCC2	463068420	LBOIZUXNSBTTSZ-UHFFFAOYSA-N	400.372	5.438	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)Nc1ccccc1S[C@@H](C)CC#N	463197818	SKPBNADFFFUDLZ-JKSUJKDBSA-N	400.569	5.522	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1	464941985	VKDQXPUSULCOCY-PZJWPPBQSA-N	419.912	5.226	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(CN(C)C)c(Br)c1	467075562	YZOMRFNBHLTERW-UHFFFAOYSA-N	405.361	5.041	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCC(=O)Nc1ccccc1C#N	469125877	VSOZXKDLHJXEDT-KRWDZBQOSA-N	404.539	5.012	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](c2ccsc2)O1	470804704	UEBXPBXHWGRPOA-ZHRRBRCNSA-N	419.506	5.406	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(C(F)(F)F)c1	471271484	BEBSESJSPQNVEA-LBPRGKRZSA-N	421.444	5.168	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	472443978	YBUVBQSMMQPUSH-RBBKRZOGSA-N	414.461	5.110	30	20	HKED	
CCc1cnc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1	474463810	HDQNFYQCFWFYBG-UHFFFAOYSA-N	411.914	5.295	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1	476253570	WFTFJXSEGBYSDC-ZEQRLZLVSA-N	418.537	5.127	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccn(C4CCCC4)n3)cc2Cl)c1	477018297	QRULIIHMPPSKFG-UHFFFAOYSA-N	420.900	5.355	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C1CC1	477246080	ZXUWEWOAMCHPMU-HNNXBMFYSA-N	418.472	5.787	30	20	HKED	
C=C(C)[C@H](NC(=O)N(CCCCOC)Cc1ccccc1)c1ccc(F)c(F)c1	477754708	LAYCPVUVIKMJRV-QFIPXVFZSA-N	402.485	5.220	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1	486234156	WPJGJYMFRDWOGY-UHFFFAOYSA-N	404.491	5.108	30	20	HKED	
CC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F	487345758	NHAUIURNBIPWAD-OAHLLOKOSA-N	401.441	5.450	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(C(C)(F)F)cc2)cc1C	490143012	LHDZRYNZAZAGGX-UHFFFAOYSA-N	422.479	5.122	30	20	HKED	
CCOCCOc1c(Cl)cccc1NCc1cc(C#N)ccc1Br	492697097	QKJCGPKVMZJPFU-UHFFFAOYSA-N	409.711	5.002	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1cc2sc(Nc3ccccc3)nc2s1	498486070	GDFZVAOPZRKETO-UHFFFAOYSA-N	404.520	5.245	30	20	HKED	
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(CCC(F)(F)F)cc1	502322435	QWZFXUJKCPRBQQ-UHFFFAOYSA-N	409.301	5.514	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2cccc(C)c2)C1	508938999	PHHHPQMIPSVNEV-FQEVSTJZSA-N	420.582	5.067	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	509668644	XOQLICBCGSZIJW-AWEZNQCLSA-N	410.930	5.484	30	20	HKED	
CC1(c2cccc(Br)c2)CCN(C(=O)Nc2ccc(CC#N)cc2)CC1	509721895	ZZAXQPCFJFQEPD-UHFFFAOYSA-N	412.331	5.101	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1	510063575	FYZZSQOXWPQJLB-CQSZACIVSA-N	417.309	5.114	30	20	HKED	
CCN(C(=O)NCC(C)(C)CCC#N)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1	513112812	FSISBQODODUVPB-IBGZPJMESA-N	407.558	5.785	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2ccccc2[nH]1	513667464	UECWRCDLVIROJT-GOSISDBHSA-N	408.436	5.195	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(Sc3ccc(C#N)cn3)n2Cc2ccco2)cc1	514980839	GRHINZKSZHZCGI-UHFFFAOYSA-N	415.522	5.302	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2c(F)cc(F)cc2F)n(C2CCCC2)c1C	515593557	YPIRLYUBLJGRKD-UHFFFAOYSA-N	407.461	5.240	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1OC(F)(F)F	517473740	RVIKKCVNTVHRHG-CYBMUJFWSA-N	409.433	5.159	30	20	HKED	
C=CCn1c(SCc2ccc(SC)c(OC)c2)nc2sc(C)c(C)c2c1=O	518305087	VHZITLQUAOBDNQ-UHFFFAOYSA-N	418.609	5.284	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc(C)nc21	518739219	UAFZHOWHQYTQHE-HOTGVXAUSA-N	407.543	5.357	30	20	HKED	
CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C(F)(F)F)c1	520477941	MSLJXAJNTZGCPU-UHFFFAOYSA-N	405.420	5.418	30	20	HKED	
C=C(C)COc1cc(CN[C@@H]2CCc3c(Br)cccc32)ccc1OC	520960247	VAMSNEIMACIQQJ-LJQANCHMSA-N	402.332	5.190	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	521573345	TUOWEWTXJKJHDP-UHFFFAOYSA-N	424.953	5.525	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	521952077	BCTIWBOMRRUDCY-QHCPKHFHSA-N	413.477	5.122	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)nc1	522122536	LIMUPQLCJZYYQQ-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CC(C)N(CCC#N)C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21	523284093	RYNRUJXURNTZHP-UHFFFAOYSA-N	415.324	5.161	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)c3cnn(C(C)C)c3n2)c(C)o1	523960700	BOUCCMBWTZOKMA-MYYSRTQBSA-N	419.529	5.091	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)c1C#N	524329930	JQUVYZDZESIRIU-UHFFFAOYSA-N	418.444	5.256	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524439701	DLESPVYULVXLGY-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3ccc(C#N)c(C#N)c3)cc12	525149283	PRGQCUFALTVHBE-UHFFFAOYSA-N	417.881	5.044	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)NC2(C#N)CCCC2)cc1	532074574	UZZRYGROWOLKEP-UHFFFAOYSA-N	401.535	5.281	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(C(F)(F)F)cc1Br	533622621	NANWKRPSADCBBS-UHFFFAOYSA-N	416.197	5.009	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)CC1CCCCC1	535208086	WNDKVDJXUHIOLN-UHFFFAOYSA-N	411.615	6.013	30	20	HKED	
COCCCOc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1	537595674	DABYAUJCEYGLAJ-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ncc(Cl)cc1Cl	540730162	GXAORZWVZNTOTE-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ncc(-c2ccccc2)[nH]1	541094414	LAOPJUXQLACFBB-SJLPKXTDSA-N	419.554	5.601	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1cccc2ccccc12	541499327	IUVRGHTYSOHHHS-QHCPKHFHSA-N	415.493	5.106	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1	542000455	MDNOOYNGMQRYQN-AWEZNQCLSA-N	405.841	5.278	30	20	HKED	
COc1ccc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1NC(C)=O	543033757	OAYAOQWNOVZKND-MSOLQXFVSA-N	413.521	5.604	30	20	HKED	
CCCCn1cc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1	543902622	GPMPYDSLGPCFGC-GOSISDBHSA-N	415.541	5.091	30	20	HKED	
CCOc1cc(CNc2ccc(CC#N)cc2)cc(Br)c1OC(F)F	544726717	UVOFPQOYAWNXRC-UHFFFAOYSA-N	411.246	5.127	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3ccccc3NC(=O)C3CC3)no2)c2ccccc21	546290496	JTIRSOLYQWRZPA-OUKQBFOZSA-N	423.476	5.124	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3ccccc3OC(F)F)no2)c2ccccc21	546328596	VHJDMKGEHGIKCQ-ZHACJKMWSA-N	406.392	5.377	30	20	HKED	
N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1Cl	548304504	GBHHDZPXPXEUGN-LJQANCHMSA-N	411.292	5.232	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1	548707371	ACYMWDWPGKPYEJ-OAQYLSRUSA-N	418.493	5.243	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)N[C@H](CCCC#N)c3ccccc3)s2)cc1	550831602	XXPFTDXTQAUXOW-HTAPYJJXSA-N	405.567	6.213	30	20	HKED	
N#CCCCOc1cccc(N[C@H]2CCSc3ccc(Br)cc32)c1	553831779	HOSCRIYTXADANA-SFHVURJKSA-N	403.345	5.781	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	558357726	AUXJEGVYGXAVJI-ZHRRBRCNSA-N	419.912	5.887	30	20	HKED	
Cc1oc(C#N)cc1-c1nc([C@@H](Oc2ccc(Br)cc2)C(C)C)no1	568326960	DQGNQGJPZNHRPG-INIZCTEOSA-N	402.248	5.048	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)sc2c1	591020110	UOMFSGOSOBAZPU-GFCCVEGCSA-N	415.852	6.098	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc2cc(F)ccc2s1	592974505	SJYZVSAEXLYLQN-QGZVFWFLSA-N	408.479	5.566	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Oc2ccccc2)c1	603600821	AXRSOHOTUZKEHE-UHFFFAOYSA-N	421.456	6.099	30	20	HKED	
Cc1cc(Br)oc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	603757146	PVJHIIABFZEEBY-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603759241	ZLFRSULQGGRODL-LJQANCHMSA-N	421.840	5.165	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2ccccc2Br)c1C	603909002	ORARVWBHWRZHCD-UHFFFAOYSA-N	403.345	5.105	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1	604019198	SDNOGUFNKTVQKZ-QFIPXVFZSA-N	414.509	5.359	30	20	HKED	
O=C(Nc1cc(F)c(F)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	607401621	KQNWTFSPIQMGEI-RNFRBKRXSA-N	408.264	5.135	30	20	HKED	
C=CCN(C(=O)c1ccc(C(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	608802265	HVRZUTNNWAGUEY-UHFFFAOYSA-N	415.421	5.489	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)cc2F)c1	609104882	QAQOKVRZBMUCPP-MSOLQXFVSA-N	420.406	5.584	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(Oc2ccccc2)c(F)c1	609240206	TWCBLSGZUIPHHC-OAHLLOKOSA-N	407.420	5.189	30	20	HKED	
N#Cc1cccc(CNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)c1	609297323	GZUDNOYAGNWAAV-OAQYLSRUSA-N	410.901	5.501	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](c2ccccc2)O1	609306757	XWNDUQPOSNXAMW-XDHUDOTRSA-N	416.452	5.092	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	609460431	OZRFSGWISWIPQD-QFYYESIMSA-N	417.214	5.161	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3c(F)cccc3N3CCCC3)cc2)cc1	609503239	IESCZFKDUOVXOF-UHFFFAOYSA-N	415.468	5.537	30	20	HKED	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1	609695178	DDUAOGZHODHDSA-PMERELPUSA-N	415.558	5.386	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c(F)c1	610025673	UDDVYDINHZYMRX-IBGZPJMESA-N	405.395	5.153	30	20	HKED	
CC(C)c1cnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1C(C)C	610034367	CWCXJULJMQGRNZ-MRXNPFEDSA-N	416.616	5.712	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Br)c(F)cc1Cl	610585196	FLHLOPKQJXESCF-UHFFFAOYSA-N	422.685	5.333	30	20	HKED	
CC(C)(C#N)CNC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	611620777	IKOBIWCKXNNEHZ-UHFFFAOYSA-N	424.888	5.245	30	20	HKED	
C=CCn1c(SCc2csc(Br)c2)nnc1-c1ccc(OC)cc1	643093900	BJZUGVGICZJHNS-UHFFFAOYSA-N	422.373	5.256	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccco2)s1)c1nc(O)c2c3c(sc2n1)CCCC3	675907391	XBHQUGPTQBUVKP-GFCCVEGCSA-N	421.503	5.087	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CSc1ccc2c3c(cccc13)CC2	726755615	RPTVXHYEXFZARU-UHFFFAOYSA-N	423.541	5.166	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	727953541	CXCVVKJEAYNKSS-INIZCTEOSA-N	420.683	5.018	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)oc1ccccc12	728158821	HLWWRPOKQXURNG-NRFANRHFSA-N	411.461	5.074	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3ccccc3C2=O)cs1	728442178	XVURBQTYICNDTN-NTCAYCPXSA-N	408.454	5.016	30	20	HKED	
N#CCOc1ccc(CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)cc1	731158152	SOSQCQJHWCAJCQ-UHFFFAOYSA-N	423.494	5.398	30	20	HKED	
C#CC[C@@H](OC(=O)CCCSc1ccc(Br)cc1)c1ccccn1	733691397	NTLQUMNPPVSIBO-GOSISDBHSA-N	404.329	5.024	30	20	HKED	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	734471731	SYJFGEATXQMPLB-UHFFFAOYSA-N	415.562	5.155	30	20	HKED	
CC1CCC(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)CC1	734644614	TWGFDXYRHFGSHO-LRARRHDQSA-N	416.569	5.070	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	737503486	RBEBDYOLMXDHAM-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
O=C(O)CCOc1ccc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)cc1	741844422	UXRJRJXTPHNYPL-XCVCLJGOSA-N	410.413	5.091	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cc(=O)c3ccccc3o2)c1	741970064	SIWWFBOCAPLJTC-UHFFFAOYSA-N	414.848	5.165	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038316	QDBKPXGDEFMWPQ-YPMHNXCESA-N	407.342	5.430	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)s1	744350208	FBFQKKSPHKGSPB-HNNXBMFYSA-N	417.600	5.631	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)s1	744350215	FBFQKKSPHKGSPB-OAHLLOKOSA-N	417.600	5.631	30	20	HKED	
CC/C(=C\C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C)cc1	745128555	WEPZBBINPVYMOJ-XDJHFCHBSA-N	400.478	5.083	30	20	HKED	
Cc1cc(-c2cc(C(=O)O[C@H](C)c3ccc(C#N)cc3)c3c(C)noc3n2)c(C)o1	748680041	NKRQUPFQJFSVPY-CQSZACIVSA-N	401.422	5.198	30	20	HKED	
Cc1nc(CCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1	750693440	LNBSKGBBLNKKSI-CYBMUJFWSA-N	403.479	5.052	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NOc1ccccc1C(F)(F)F	754725611	XRRDANJFVZUJBW-UHFFFAOYSA-N	407.823	5.633	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(OC(F)F)cc2OC(F)F)c1	754885544	OOOOLMAAIGUTMO-UHFFFAOYSA-N	419.172	5.136	30	20	HKED	
CO[C@@](C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1F	759434272	DOCFNHLARUJDPD-YCRPNKLZSA-N	414.889	5.341	30	20	HKED	
C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCO1	760006562	HURFGCLVZJESOL-AHWVRZQESA-N	411.505	5.122	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2c(Cl)cccc2Cl)cs1	763187977	INVWNRBPXGLMAL-UHFFFAOYSA-N	423.300	5.720	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN(CCC(F)(F)F)CC2CC2)c1=S	765066358	CTOVTOKOWPARJQ-UHFFFAOYSA-N	410.509	5.197	30	20	HKED	
CC#CCCCC(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C	767117321	MELIHLSWGRBUID-UHFFFAOYSA-N	409.324	5.237	30	20	HKED	
CC(C)(C)Oc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1	767849225	XOXIANUAHKNECY-QFIPXVFZSA-N	414.509	5.236	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	768137135	LIYDAMOCANBLKU-HNNXBMFYSA-N	419.699	5.136	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)ccc2c1	770842509	NVUCRYVZEYDOSD-BTYIYWSLSA-N	413.502	5.347	30	20	HKED	
C=CCc1cc(CN[C@@H](C)c2ccc(OC)c(Br)c2)cc(OC)c1OC	772953638	KOEWHNUHBQZVSK-AWEZNQCLSA-N	420.347	5.054	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(-c3ccncc3)c2)ccc1OC	772986222	NZMQEWSTYCPURC-FDDCHVKYSA-N	401.510	5.289	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OC	772986613	PEVGMVTVECISHF-KSSFIOAISA-N	405.325	5.460	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccncc1	774217506	GPEQFBWFYKATNL-OALUTQOASA-N	423.866	5.822	30	20	HKED	
CC[C@H](NCc1cc(Cl)ccc1OCC#N)c1cc(F)cc(Br)c1	776838129	GKNSRYAAOBMCAZ-KRWDZBQOSA-N	411.702	5.385	30	20	HKED	
Cc1ncsc1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	777298133	WEUCYXYOPIPIPY-IHVVCDCBSA-N	420.346	5.772	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nc(-c4ccccc4F)no3)cc2F)c1	780296224	MNQMLGSIJLTZSX-UHFFFAOYSA-N	418.403	5.078	30	20	HKED	
CC(C)c1cc(Br)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780613830	DIXOMVNPKLHSBO-ZDUSSCGKSA-N	402.292	5.507	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](c1cccc2ccccc12)C(F)(F)F	781349468	UYGIPHCJUUUOBB-HXUWFJFHSA-N	404.819	5.789	30	20	HKED	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	782773995	QCWZKRCSGRXXBQ-SFHVURJKSA-N	410.587	5.447	30	20	HKED	
O=C1/C(=C/c2ncc(C(F)(F)F)s2)CCc2nc(-c3ccccc3F)sc21	788354870	JGJKOCGMYHNCRZ-VQHVLOKHSA-N	410.417	5.637	30	20	HKED	
O=c1[nH]ccc2cc(NN=Cc3nc(-c4cc(Cl)ccc4Cl)cs3)ccc12	789059993	FQDQGRRYGJOSGG-UHFFFAOYSA-N	415.305	5.404	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)C(=O)c1coc2cc(F)ccc12)c1ccc(Cl)cc1Cl	796892183	IXDJGNBLKVWOIG-ZUZCIYMTSA-N	419.239	5.079	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)COc2ccc(OCc3ccccc3)cc2)s1	797568622	UJRDZVYMUDMOAR-HXUWFJFHSA-N	420.534	5.275	30	20	HKED	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	798394839	QBUOFGXQEJOQAH-OAQYLSRUSA-N	408.505	5.426	30	20	HKED	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C/C(=O)c1ccc(N2CCNC2=O)cc1	806573016	VGKIDCFPIWGAKR-MMMBZVNJSA-N	400.400	5.077	30	20	HKED	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CSCCCC2(C#N)CCOCC2)CC1	811809230	NIAPOSXCXBWTQO-WGSAOQKQSA-N	410.624	5.151	30	20	HKED	
N#C[C@@H](C(=O)C(Cc1ccccc1)Cc1ccccc1)c1cc(C(F)(F)F)ccn1	813215565	IMZULYOBUNKCLH-OAQYLSRUSA-N	408.423	5.378	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl	815908197	VMXLTQAZIFRRCM-QGZVFWFLSA-N	420.852	5.102	30	20	HKED	
CCOc1ccc(OCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046667	MCVJWWMZGURSCV-KRWDZBQOSA-N	414.914	5.384	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](c1cc(C)cc(C)c1)C(F)(F)F	918562924	HUZXECRAYCKIKI-NRFANRHFSA-N	421.415	5.190	30	20	HKED	
CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1ccccc1OCC#N	920351942	SSRABBZMAILOIO-UHFFFAOYSA-N	408.498	5.507	30	20	HKED	
N#C[C@H](COC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)Cc1ccc(F)cc1	920876899	RPKJKOSNCRSVCD-HOJAQTOUSA-N	420.509	5.411	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4sccc4Cl)cc3)CCC2)C1	1789897786	TYGOMSPGNCFKER-UHFFFAOYSA-N	400.931	5.115	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(SC)c3O)cc2)CCC1	1790068079	YKDDHARHFAFZCJ-INIZCTEOSA-N	424.566	5.074	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(SC)c3O)cc2)CCC1	1790068080	YKDDHARHFAFZCJ-MRXNPFEDSA-N	424.566	5.074	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1	1791588426	NHSCZHSGBPNQAY-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1823752007	HUOPZRPBVFOBQC-NRFANRHFSA-N	420.613	5.271	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826367743	HXXCSMZYZXAXCE-XMMPIXPASA-N	424.629	5.231	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)s1	6339818	SOVUMBSSPNXZII-CMDGGOBGSA-N	402.302	6.203	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccccc2CC)cc1	10173517	JDUNASIDSNMUKH-UHFFFAOYSA-O	420.602	5.105	30	20	HKED	
N#CCCCSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1	19298216	OFWDGFITURJMCP-UHFFFAOYSA-N	423.508	5.810	30	20	HKED	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2cn(CCC#N)c3ccccc23)N=C1S	20670702	JLBCDZBDBKACPD-LDADJPATSA-N	420.925	5.190	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc2c(s1)CCCC2	23224251	LBQHGFAPUJWUOL-UHFFFAOYSA-N	413.543	5.046	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(Cc3cccs3)n2-c2ccccc2)c1	29890390	QEPHJVDGIZLWLR-UHFFFAOYSA-N	406.511	5.223	30	20	HKED	
C=CCOc1ccccc1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	30181478	FZPODSIQWHSSTD-UHFFFAOYSA-N	412.942	5.534	30	20	HKED	
N#Cc1c(NC(=O)CCCOCc2ccccc2)sc2c1-c1ccccc1CC2	64933239	QKLNSGZKPAAWMO-UHFFFAOYSA-N	402.519	5.321	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2OCCc2ccccc2)cc1OC	106254364	FOFBZNNWQASFAG-UHFFFAOYSA-N	403.478	5.134	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3nc(C)c(SCC#N)s3)cs2)c(C)c1	109414302	HZSQOBPJCGBTDY-UHFFFAOYSA-N	400.554	5.060	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2csc(-c3ccc(C)cc3)n2)ccc1OC	236897270	FSRNZSWTFKRRGX-HXUWFJFHSA-N	407.539	5.098	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	303319079	QWNALZNVMPBKEQ-HNNXBMFYSA-N	406.511	5.352	30	20	HKED	
N#CCC[C@H](NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	429070865	OMIAXGGXOLMMEG-QHCPKHFHSA-N	418.541	5.050	30	20	HKED	
CCCc1c(NC(=O)CCCCOc2cccc(C#N)c2)cnn1-c1ccc(F)cc1	429342099	VWXJXWLONIPVLR-UHFFFAOYSA-N	420.488	5.023	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	430810147	SNWNKFBXWUVXFB-HNNXBMFYSA-N	420.683	5.605	30	20	HKED	
COc1ccc2nc(/C=C\c3cn(CCC#N)nc3-c3ccncc3)cc(Cl)c2c1	432712026	YQWWSJIPCIZFCE-ARJAWSKDSA-N	415.884	5.239	30	20	HKED	
Fc1ccc(F)c([C@@H](NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C(F)F)c1	434678824	KWGYEJAELUUOMQ-OAHLLOKOSA-N	419.300	5.130	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1	435651375	SALCLJDSCOJWMR-GOSISDBHSA-N	405.420	5.493	30	20	HKED	
C=CCN(C(=O)[C@H]1CCOC[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	435662172	IJVYCPGJLJKATG-JSGCOSHPSA-N	411.354	5.309	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2cc(Cl)ccc2s1	435979008	KHYROXCFUKUJSX-UHFFFAOYSA-N	423.881	5.270	30	20	HKED	
C[C@@H](c1ccc2ccccc2c1)N(CC(=O)Nc1ccccc1SCC#N)C1CC1	436223645	XTBPIKPPOGVCBO-SFHVURJKSA-N	415.562	5.620	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccccc1SC[C@@H](C)C#N	438065337	ILWAECVKPZGBRZ-PZJWPPBQSA-N	409.599	6.122	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	438454577	APRFKUWNQSJDCT-JTHBVZDNSA-N	407.583	5.940	30	20	HKED	
CCOCc1ccccc1CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438645754	DOHHMEKZVRJCBP-UHFFFAOYSA-N	419.456	5.348	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1ccccc1	438839903	WGPHXQAHLYCJCL-RTWAWAEBSA-N	409.942	5.835	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1)c1ccccc1	440236287	FSKXCOAPLUXDJU-SFTDATJTSA-N	415.497	5.018	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc3[nH]ccc3c2)cc1	440925553	TXUNPBGXXNBNQZ-UHFFFAOYSA-N	424.504	5.177	30	20	HKED	
C=CCn1c(SCc2nc(C(F)(F)F)cs2)nnc1-c1cccc(Cl)c1	443458483	YZYHYIACNTXLAJ-UHFFFAOYSA-N	416.881	5.552	30	20	HKED	
CC[C@@H](C)n1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1-c1ccccc1	443517433	PNZKLOLSOSSZIQ-GFCCVEGCSA-N	403.433	5.353	30	20	HKED	
C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	443812802	GDEKMTCIGVMPTH-HGHGUNKESA-N	423.944	5.019	30	20	HKED	
Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1C1CCCC1	444450027	ZOHSOTOEJPNGKB-UHFFFAOYSA-N	416.550	5.723	30	20	HKED	
N#CCCN(C(=O)CCc1ncc(-c2ccccc2F)o1)C12CC3CC(CC(C3)C1)C2	460469270	KOCGEMPVFVLWMX-UHFFFAOYSA-N	421.516	5.124	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1	464175484	GNPBZHCXIBARRC-UHFFFAOYSA-N	421.884	5.587	30	20	HKED	
CCSCC[C@@H](C)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	465103350	ONVBQOFSIQYQNC-OAHLLOKOSA-N	402.947	5.608	30	20	HKED	
CCO[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)C1=CCCC1	465127834	HBOOYPZHEOHJFN-DEOSSOPVSA-N	406.501	5.445	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)o1	466844237	HFBRRZIFAUHXFX-QFIPXVFZSA-N	416.477	5.376	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1	468204224	ABAGEVOJXJJLQF-WDEREUQCSA-N	407.285	5.327	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Br)c1	469285375	UOOUNNAXPPBKHY-OAHLLOKOSA-N	412.331	5.205	30	20	HKED	
CC(C)(C)OC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	469509406	XXNAZDDDHIMUMS-UHFFFAOYSA-N	421.541	5.143	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3ccccc3)c3cccc4ccccc34)o2)c1	471649131	OCIFXNKFUWWPMY-SANMLTNESA-N	416.484	5.641	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)c1	471913906	ZYQKBXMSNNWYSF-NQIIRXRSSA-N	422.912	5.368	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1	475545270	BCIQKNVHPNTOHK-UHFFFAOYSA-N	402.542	5.826	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1	477446330	KEYMVDCJMKFOHZ-ROUUACIJSA-N	411.546	5.879	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1	477736344	AACWRPJRLFJQPW-SIKLNZKXSA-N	416.468	5.146	30	20	HKED	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	479964144	NFFOCGJXLDPBMC-FOIQADDNSA-N	420.538	5.512	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1	480617892	WIQWCVLQFXFGPV-UHFFFAOYSA-N	415.902	5.467	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccccc1C	481401564	OBRIKIFWBJQGHR-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4ccsc4)CC3)c2)c1	485720420	QWBBMPFNDVOHHO-UHFFFAOYSA-N	402.519	5.219	30	20	HKED	
N#CCCN(C(=O)Cc1csc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2	486571115	LFSRQPNRSSMPGG-UHFFFAOYSA-N	405.567	5.064	30	20	HKED	
N#Cc1cccc(CNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1	487540433	JLACAVBPQXOZBJ-UHFFFAOYSA-N	415.543	5.269	30	20	HKED	
CCOc1ccc(-n2c(SCCCC(C)(C)C#N)nnc2-c2ccccn2)cc1	489434550	JVKJFBJJIUAIHU-UHFFFAOYSA-N	407.543	5.150	30	20	HKED	
C[C@H](Cc1ccncc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	493030212	GUYMMBNHZGXNBE-IERDGZPVSA-N	404.901	5.143	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl	498404490	PRIJXYHQRJNTRN-LJQANCHMSA-N	405.876	5.337	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2ncsc2c1	500116665	RFZSVYKDEYJDCL-UHFFFAOYSA-N	405.292	5.026	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501449341	NCBJVNBPQBMQMX-UHFFFAOYSA-N	409.489	5.234	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC	502599175	ZSFFJMMNDXFFID-UHFFFAOYSA-N	403.438	5.320	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1	505034475	DSUFMNHJVJRHLP-QHCPKHFHSA-N	405.929	6.107	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)c1ccc(Br)s1	505314906	RSEWYPVIQIYKCP-GZMMTYOYSA-N	418.143	5.302	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(CCCC)no2)nnc1-c1ccc(Cl)cc1	505427033	DFLKOIGOFKSOAV-CYBMUJFWSA-N	403.939	5.363	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	514152417	VERMKSGLGMHPRD-IBGZPJMESA-N	417.509	5.341	30	20	HKED	
COc1cc(C(=O)N2CCc3ccc(C#N)cc32)ccc1OCc1ccccc1Cl	515406137	XQSVRTKGVQBJPJ-UHFFFAOYSA-N	418.880	5.002	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)cc4nc[nH]c34)cc2Cl)cc1	516541806	YIXYOTKSWNRLDU-UHFFFAOYSA-N	406.804	5.272	30	20	HKED	
CC(C)c1nc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1	517453369	HBPFHQKZTQUDHA-AWEZNQCLSA-N	405.614	5.390	30	20	HKED	
COc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518666805	JPEGZXOROTWSQE-ZDUSSCGKSA-N	423.460	5.159	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(F)cc2F)cc1Cl	521842216	PPJVEGPQEFIDKF-IBGZPJMESA-N	411.839	5.595	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1F	522573136	HANXTBBZOICINN-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
CCN(CC#N)C(=O)c1sc2ccccc2c1CSc1ccccc1Cl	522598732	VKDQZHYVWLHAEE-UHFFFAOYSA-N	400.956	5.833	30	20	HKED	
COC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl	522807542	DXENUWLHTXSDAA-UHFFFAOYSA-N	422.893	5.402	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)N[C@H](C)C(=O)N(CCC#N)c1ccccc1	522985893	SBIUEMXLGYOAMZ-OFNKIYASSA-N	417.578	5.265	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	523965182	PMZKUTWRDOBIMM-LRTDBIEQSA-N	415.946	5.165	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1	530877597	KCBKWRCDDGNSFF-CYBMUJFWSA-N	423.441	5.073	30	20	HKED	
N#CCCn1cc(CNc2ccc(COCc3ccccc3)cc2)c(-c2ccccc2)n1	532742946	QQJBEQHZDAEWEB-UHFFFAOYSA-N	422.532	5.793	30	20	HKED	
Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NCC(C)(C)CCC#N)cc2Cl)n1	532888826	GZDIFEQGXSLMNI-INIZCTEOSA-N	401.942	5.095	30	20	HKED	
COc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)cc1OCCCC#N	536710064	MZZDBTBGMUAIPX-HXUWFJFHSA-N	405.498	5.246	30	20	HKED	
CCCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1ccc(F)cc1)c1cccnc1	544400117	HAMWMTDJWJUXSY-QFIPXVFZSA-N	407.876	5.388	30	20	HKED	
CO[C@H](c1cccc(Cl)c1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1	545741548	UOSJDUNDCTXSTI-GMAFFVFYSA-N	418.884	5.498	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(C#N)cc1	548513584	SYNGFYQVJFDENB-MEDUHNTESA-N	415.337	5.241	30	20	HKED	
Cc1cc(-c2noc([C@H](C)NC(=O)c3sc4ccc(C#N)cc4c3C)n2)ccc1F	551621347	JFTOMKADAQPOEJ-ZDUSSCGKSA-N	420.469	5.070	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccccc3)C3CCCC3)CC2)c1	552306323	UMMYBKWFWUEYIE-DEOSSOPVSA-N	403.526	5.043	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(F)(F)F	554763462	ZKIVJGAPMDDBCC-VDZJLULYSA-N	417.431	5.320	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC=C(c3ccco3)C2)cc1Cl	558287777	HZXUNBJROYOUDY-OAQYLSRUSA-N	417.896	5.910	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Cn1ncc2ccccc21	560018882	FXVGHWZESCSKSW-LJQANCHMSA-N	424.504	5.070	30	20	HKED	
Cc1ccnc(Oc2ccc(NC(=O)c3sc4ccc(C#N)cc4c3C)cc2)n1	560250445	CUFYYIGLTVDLFQ-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
COCc1c(C(=O)Nc2ccc(C#N)c(Br)c2)sc2cccc(F)c12	561815893	IXCMIIMHFUWVIO-UHFFFAOYSA-N	419.275	5.073	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(C)(C)CCC#N	573312261	ZYXYFLOPIHMPKX-UHFFFAOYSA-N	408.329	5.832	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1F	575792049	UPHQPSHRFCFUTH-OAQYLSRUSA-N	408.408	5.297	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cc2)ccn1	577687541	AVSLNBPFKMAPFI-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccccc3NCc3ccc(Cl)cc3)CC2)c1	581183009	SXPSCFIAXBEAFS-UHFFFAOYSA-N	419.887	5.633	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	592974214	PDXQBRCRSHVHGS-HNNXBMFYSA-N	407.495	5.281	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3oc4ccccc4c3c2)cc1	603558115	ZIOAQSSYBIJUEK-UHFFFAOYSA-N	400.438	5.538	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)n1	603722637	NVICLTIYVWXTHX-NSHDSACASA-N	422.407	5.631	30	20	HKED	
COc1cccc(SCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	603991946	INONSYFNPLBMPH-UHFFFAOYSA-N	406.532	5.125	30	20	HKED	
C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cccc2ncccc12	604044248	HBMGGPYMJBTATD-GOSISDBHSA-N	422.488	5.125	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1Oc1cccnc1	604523254	PSEVWYGYNSWMET-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H]1c1cccc(F)c1	608638220	UECGXZDBXBICAY-JMSVASOKSA-N	412.349	5.192	30	20	HKED	
CN(C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1F	608798240	LDLNTNFDTGJASZ-UHFFFAOYSA-N	410.901	5.920	30	20	HKED	
C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1c(Cl)cccc1Cl	609141202	KUZFGDOMCWEOLS-AWEZNQCLSA-N	403.309	5.039	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C	609208651	CTBWROBAWGHKQV-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	609376505	BMHUDFNRKCMUMI-MRXNPFEDSA-N	421.591	5.860	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	609387028	GZCLVMREFKOGII-KBPBESRZSA-N	409.471	5.070	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1	609403058	OVICBPRWMBZTDI-UYAOXDASSA-N	409.555	5.151	30	20	HKED	
COc1c(C)cnc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C	609434509	SIFXGOQBUUFRON-UHFFFAOYSA-N	416.481	5.035	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)nc1	609504120	XJGLLGMQVMCUHT-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CCOC(=O)c1sc2ccsc2c1CNc1nc(C(F)(F)F)ccc1C#N	609670551	RICUCOIHQCNBHY-UHFFFAOYSA-N	411.430	5.037	30	20	HKED	
C[C@@H](SCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccc(C#N)cc1	609825877	YOPIXVIGDLUPIO-LLVKDONJSA-N	423.851	5.201	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCCc2ccc(O)cc2)c1	609827601	XFNGFOJXRVNBCB-UHFFFAOYSA-N	406.869	5.072	30	20	HKED	
Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	611868153	ADUVHCHWYMFUFX-VWLOTQADSA-N	410.521	5.086	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc(Cl)cc1	619864104	PVRGSAJPSXJJPI-LJQANCHMSA-N	403.898	5.340	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	679522883	GUSKBBGFXCFUQH-WPRPVWTQSA-N	407.276	5.527	30	20	HKED	
O=C(Nc1ccc(-c2ccco2)cc1F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	683811768	NLXSQMCYEBYYRT-PHIMTYICSA-N	410.289	5.290	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(C)CCc2cccc3ccccc23)c1=S	725777063	RAJGYYMNQOIVHT-UHFFFAOYSA-N	404.539	5.145	30	20	HKED	
C[C@H](NC(=S)Nc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1Cl	726468538	FJDABWJRHKGXRI-ZDUSSCGKSA-N	408.354	5.724	30	20	HKED	
Cc1ccc(-c2nc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)sc2C)s1	728837893	QNQNIZKQNWGVTH-UHFFFAOYSA-N	408.508	5.305	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	730487117	ODJRDBBBUQVYMT-UHFFFAOYSA-N	420.431	5.049	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c1	732071170	BXPWSZYTFLVIQT-NRFANRHFSA-N	416.443	5.490	30	20	HKED	
COc1cccc2cc(C(=O)/C=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)oc12	733083671	ONPUOIRTJGTRKJ-CMDGGOBGSA-N	406.419	5.369	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1c(Cl)cccc1Cl	733259508	YEANNLRXZRMSJS-HNNXBMFYSA-N	409.363	5.467	30	20	HKED	
C#CC[C@@H](OC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccn1	733692854	NPCDIGSDMOPBQM-HSZRJFAPSA-N	405.881	5.164	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1	733772150	YSPAZUHOMCVJTB-ATZDWAIDSA-N	403.309	5.094	30	20	HKED	
CCOc1ccc(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)c(C(F)(F)F)c1	733844376	LCNBGSGVVYVGDV-HNNXBMFYSA-N	421.419	5.107	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc(Br)cc1)C(C)C)c1ccncc1	734683732	PNYQAFXYSZEFAL-LJQANCHMSA-N	402.336	5.082	30	20	HKED	
CC(C)COC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccco1	740043564	HKVXPHGPOYWFNZ-FQEVSTJZSA-N	423.538	5.093	30	20	HKED	
CC(C)CCOc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)cc1	741852666	QJXJVGVACAPVTA-XGICHPGQSA-N	422.493	5.046	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1NC(=O)OC(C)(C)C	742650152	WOVAGSIGNGLKNG-UHFFFAOYSA-N	411.527	5.600	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744034173	BTXFRIDWQZKLMK-KBXCAEBGSA-N	412.917	6.048	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)n2)cc1	744061153	HNCOBQCSPFRSIG-CGTJXYLNSA-N	410.445	5.077	30	20	HKED	
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	744360226	FBTUQFQAYPSULW-UHFFFAOYSA-N	421.566	5.113	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)c1	745821457	QXVNTCNJKOEKIP-JRFVFWCSSA-N	405.542	5.154	30	20	HKED	
COc1ccccc1NC(=S)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	751014204	OJKGFLZJUMZTOW-UHFFFAOYSA-N	405.479	5.177	30	20	HKED	
C[C@H](CC#N)NC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	751392914	KVRHGEMBMHOZRD-ZSYKKXJESA-N	402.519	5.286	30	20	HKED	
C[C@H](OC(=O)COc1cccc(C#N)c1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753351900	UPRTXOXSPXKOKU-LBPRGKRZSA-N	417.248	5.203	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](OC(C)(C)C)c3ccccc3)n2)cc1	754532232	SCNOQUAPZRLDPX-KNQAVFIVSA-N	404.535	5.851	30	20	HKED	
FC(F)(F)c1ccc(-c2nc(CON=Cc3c(Cl)nc4ccccn34)co2)cc1	755814822	WJGYQIISVPAZNP-UHFFFAOYSA-N	420.778	5.212	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc2ccccc2n1	756229893	ZHDAVBUTWQXVAM-CYBMUJFWSA-N	403.290	5.442	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C(F)(F)c3nccs3)cc2Cl)cc1	756665113	FUKVOSRADFCZCX-UHFFFAOYSA-N	405.813	5.191	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccncc1	759216305	ABCPGIKUKWJKOU-HNVJMHORSA-N	405.567	5.376	30	20	HKED	
O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1nc(Cl)ccc1F	759891804	AMMAKOAMQMKTQD-LBPRGKRZSA-N	401.665	5.353	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1C	761870355	FELMCRVFQVSRTE-HSZRJFAPSA-N	421.541	5.177	30	20	HKED	
COc1ccc(OC)c(C=NO[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1	763172066	UQCPAUQMDYBGAF-AWEZNQCLSA-N	400.862	5.432	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)s1	764118497	RQDJFUHFQOFARN-CQSZACIVSA-N	416.568	5.093	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(C(=O)N[C@H](C)CC)c2)cc1	765031467	STVASWULPBBVGV-QZTJIDSGSA-N	400.950	5.197	30	20	HKED	
Cc1cc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)c(C)n1-c1ccc(C#N)cc1	767123454	CFADCUIMQLSOBN-UHFFFAOYSA-N	403.530	5.194	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(OCc3ccccc3)cc2)c1	772982524	HIJKVUTXSRMILR-YKSBVNFPSA-N	400.522	5.797	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)Cc2ccc(C(F)(F)F)cc2)ccc1OC	772985667	LUHMNKANTGGBFQ-DNVCBOLYSA-N	406.448	5.116	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2cc(Cl)ccc2OC)ccc1OC	772987128	STHLQETZFSEYMZ-PKOBYXMFSA-N	402.922	5.279	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1coc(-c2ccccc2Cl)n1	776513958	COKFDUSJXKXLKO-QGZVFWFLSA-N	415.836	5.109	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1	782682394	GEQYEELFRWBMOM-MRXNPFEDSA-N	417.456	5.145	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F	782693340	OWTRHECLSHEKRX-UHFFFAOYSA-N	421.419	5.206	30	20	HKED	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782754159	UQVWGNLGTRWKQB-IAGOWNOFSA-N	415.493	5.061	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C	789459295	PQBJUVLKLXDJLL-SFHVURJKSA-N	401.551	5.060	30	20	HKED	
C=CCn1c(SCc2ccc([N+](=O)[O-])c(F)c2)nnc1-c1cccc(Cl)c1	789932052	DJJHUVULQAYBGP-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
N#CC(CCOC(=O)c1csc(C(F)(F)F)n1)(c1ccccc1)c1ccccc1	792326930	XDWOVAOTWAOKEE-UHFFFAOYSA-N	416.424	5.219	30	20	HKED	
COc1cc(OC)cc(Oc2cccc(CNCc3ccc(O[C@H](C)C#N)cc3)c2)c1	796440729	BZUCITJBJPKVKY-GOSISDBHSA-N	418.493	5.077	30	20	HKED	
N#Cc1c(NC(=O)c2cc(C3CC3)cnc2Cl)sc2c1-c1ccccc1CC2	796592533	QUGVZTJLDTXMNN-UHFFFAOYSA-N	405.910	5.563	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)sc2ccc(C#N)cc12	796756147	IWAHAGZMZMVFMF-CQSZACIVSA-N	407.907	5.835	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C/c2csc(-c3ccc(OC)cc3)n2)C(=O)c2ccccc21	802706761	YHGASMKHLMCMLY-JQFUVSSDSA-N	419.502	5.135	30	20	HKED	
CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc2nc(O)[nH]c2c1	812393151	HERQGFUPTYUXBJ-UHFFFAOYSA-N	414.494	5.085	30	20	HKED	
O=C(/C(=C/c1ccc(OC(F)F)cc1)c1nc2ccccc2oc1=O)c1ccccc1	817342331	BMUCZCBEJINGJM-NBVRZTHBSA-N	419.383	5.213	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccc(F)c(Br)c1	819841464	XRCYOMHERBEYNM-LUAWRHEFSA-N	412.258	5.458	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	915088670	UIKGAVQWQAUROT-HXUWFJFHSA-N	420.896	5.655	30	20	HKED	
N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccn1	915099118	UXKJCZFDLBKBDC-NRFANRHFSA-N	412.880	5.007	30	20	HKED	
N#C[C@@H](C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	915103259	RIMHGSYUKIJNQU-QPLGDGLDSA-N	422.594	5.183	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104765	LDVFDMDGYPZEJV-ZYHUDNBSSA-N	424.831	5.612	30	20	HKED	
CCN(Cc1ccccc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353850	RAGKRNIMLDHCRF-JOCHJYFZSA-N	403.913	6.049	30	20	HKED	
COc1ccc(OCc2nc(/C=C3\COc4c(C)cc(C)cc4C3=O)cs2)cc1	920069349	NAGMQMVFNYOLJZ-MHWRWJLKSA-N	407.491	5.006	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	920110205	ZURSGWPBASLEGQ-NRFANRHFSA-N	405.885	5.017	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CCC)cc2)CC1	1830105618	MSXPEZWLIJDNJI-RUZDIDTESA-N	422.613	5.066	30	20	HKED	
CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1	1831464094	ABFOJMSYJZCVSY-YKSBVNFPSA-N	423.601	5.008	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2c(C)cccc2C)cc1	22694020	DKXDQNREXFIIBE-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(CC)cc2)cc1	22731032	DNNUEFJCTZJWGF-UHFFFAOYSA-O	423.627	5.910	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccc(C)o2)n1	32785230	PYYMIINYVHIPAF-UHFFFAOYSA-N	408.552	5.372	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	46040785	KBWVUIULCRNULH-OAQYLSRUSA-N	400.869	5.189	30	20	HKED	
C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1	54125140	PABUEDDUQAEHDW-LLVKDONJSA-N	400.866	5.233	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCC2CC2)cc1)c1nc(-c2c(F)cccc2F)cs1	64715467	VMQLIYPAJRJNBO-INIZCTEOSA-N	410.445	5.367	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2cnco2)cc1	109910983	WSPPSTAIVDEASJ-UHFFFAOYSA-N	415.262	5.072	30	20	HKED	
COc1ccc(CN[C@H]2CCCc3cc(OC(F)F)ccc32)cc1OCCCC#N	147239061	MFXIUPNQVCCMGO-FQEVSTJZSA-N	416.468	5.146	30	20	HKED	
N#CC1(c2ccccc2)C/C(=C/c2ccc(O)cc2)C(=O)/C(=C\c2ccc(O)cc2)C1	213186684	YLSGSHNBZZKGIP-HHQODBOJSA-N	407.469	5.389	30	20	HKED	
COc1ccc(C[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2ccccc2)cc1OC	237439147	LRGLQLNTOQGALP-CYFREDJKSA-N	416.521	5.068	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cs1	302909773	JFGLBYQLFDCHAI-CMDGGOBGSA-N	416.955	5.794	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc(CC#N)cc2)oc1-c1ccc(Br)cc1	303289497	KQDZUCKKFMBXMZ-UHFFFAOYSA-N	424.298	5.050	30	20	HKED	
C[C@@H](CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	303866652	PURZTKMJJOAHJU-JTQLQIEISA-N	421.303	5.542	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Br)c(Cl)c1	323011427	OCGHSNNFQUWBIW-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl	391392057	IGVDFWAHVCLLFJ-UHFFFAOYSA-N	409.736	5.475	30	20	HKED	
N#CCCCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1	409718816	HQIGZYZJTGFFPF-UHFFFAOYSA-N	406.898	6.001	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cccc(OC(F)F)c2)cc1	409826395	FHASYVHROVKQKB-UHFFFAOYSA-N	422.431	5.114	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	426100072	ZLQJNPFEENEMJU-UHFFFAOYSA-N	422.872	5.133	30	20	HKED	
COc1ccc(Br)c(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	426378866	IBIGGPIJWPCXLX-CYBMUJFWSA-N	419.344	5.033	30	20	HKED	
O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(F)cc1C(F)(F)F	429526445	HLMSLRRRIWHDTB-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
C=CCOc1cccc(NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c1	430665489	KSCLDOAXEOENED-UHFFFAOYSA-N	412.445	5.138	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)cc1	432224840	BZHOATBNDQJCCU-UHFFFAOYSA-N	417.431	5.128	30	20	HKED	
C[C@@]12CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C[C@@H]1C2(F)F	432771199	JSYQPTGLTXXIAC-AZUAARDMSA-N	417.843	5.513	30	20	HKED	
CCOc1ccccc1-c1nnc(SCC#Cc2ccc(OC(F)(F)F)cc2)o1	433397243	APJVDIZBOLVOHK-UHFFFAOYSA-N	420.412	5.178	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	433728137	LGCPSTFQIONFIK-RDTXWAMCSA-N	419.472	5.317	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2occc2Br)cc1Cl	433858197	HYXXDSNAINTCRY-OAHLLOKOSA-N	415.674	5.603	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1	436117351	ZWCGFXGAEZLJPO-UHFFFAOYSA-N	417.415	5.013	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	437541610	XMXCNDNKDCHNOW-YCRPNKLZSA-N	420.513	5.360	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	438055186	XRLRFCAMYKVSQI-SLYNCCJLSA-N	404.539	5.385	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N(CCC#N)c1ccccc1	439572473	NEVKZMIVEOAXLT-LJQANCHMSA-N	410.477	5.098	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1	442103231	PDNBDKWFGPMQKB-HRAATJIYSA-N	423.944	5.019	30	20	HKED	
O=[N+]([O-])c1cccc(F)c1CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444736215	QCOFVODAMRGJCE-AWEZNQCLSA-N	410.289	5.536	30	20	HKED	
C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3ccccc3CC)n2)CCCC1(C)C	444777630	SVDBCPHYGWJQTB-JOCHJYFZSA-N	411.615	5.957	30	20	HKED	
COCCN(C(=O)c1ccc(SCc2ccccc2)cc1)c1ccc(C#N)cc1	460352450	CURWSXPOIFWLFO-UHFFFAOYSA-N	402.519	5.144	30	20	HKED	
N#Cc1nnc2ccccc2c1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	463066198	CXELRVRBQJYIMB-UHFFFAOYSA-N	411.412	5.256	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)CNc1ccc(Oc2ccccc2C#N)c(F)c1	463234138	HPYKZOWOUAFGDK-UHFFFAOYSA-N	409.848	5.502	30	20	HKED	
Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)c2cccc(SCC#N)c2)c1	466626607	KZIZGJNXBUVQBK-UHFFFAOYSA-N	407.926	5.506	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccccc2S[C@@H](C)CC#N)c1	470537996	NFNSVDOVBHTFFB-IBGZPJMESA-N	406.555	5.057	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C	475552558	WNEWEEJYCIAWRL-CQSZACIVSA-N	422.495	5.797	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	476121470	YDNSYMTVAFHWNM-MOPGFXCFSA-N	403.444	6.179	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cccc(SCC#N)c1	476801141	ZOLXQPSZMPPIPY-KRWDZBQOSA-N	417.372	5.158	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccnn2C2CCCC2)cc1Cl	480793831	HOCMWCYJFHUSOK-HXUWFJFHSA-N	404.901	5.559	30	20	HKED	
N#CCCn1cc(CNC2CC(F)(c3cccc(Cl)c3)C2)c(-c2ccccc2)n1	481814051	IVYVBKDFLWCIJM-UHFFFAOYSA-N	408.908	5.234	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)cc2)nc1	482344979	LCQGRPIWCIOFQE-JOCHJYFZSA-N	401.441	5.252	30	20	HKED	
N#C[C@H](C(=O)c1ccc2cc(Br)ccc2c1)c1cnc2ccccc2n1	483189700	CONBPQONDJIRFQ-KRWDZBQOSA-N	402.251	5.036	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@H](C#N)c1nccc2ccccc12	483980514	MVQWIPJQVYUEDI-MRXNPFEDSA-N	417.852	5.350	30	20	HKED	
CCc1ccc([C@@H]2CN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CCO2)cc1	484156337	GZGXFNVWEMLEHO-UTKZUKDTSA-N	409.555	5.106	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1	484289125	YBNUJLPBRKQOPG-LJQANCHMSA-N	408.468	5.245	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CCCC[C@@H]1c1ccccc1	484628277	YKVZVHHRQSXHPP-HMXCVIKNSA-N	407.583	5.193	30	20	HKED	
N#CCCC[C@H](NC(=O)CCSc1ccc(Br)cc1)c1ccccc1	487215775	CHUIGROYQWTCOZ-IBGZPJMESA-N	417.372	5.483	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)o2)cc1	489792878	SMLCBRJIKQABFT-UHFFFAOYSA-N	402.475	5.430	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cc(Br)c(OC)cc1OC)c1ccccc1	491038336	ROFAZGGWTODHNM-HNNXBMFYSA-N	404.304	5.155	30	20	HKED	
Cc1cc(C2CCN(CCCC3(C#N)CCOCC3)CC2)ccc1Br	499643309	CTZFZRQFLNSTLE-UHFFFAOYSA-N	405.380	5.038	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1	502265031	FDPWMWCMSXPWHI-UHFFFAOYSA-N	416.550	5.044	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccncc2C(F)(F)F)cc1	507029750	KJLPMTZJZRRKCR-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
CCN(C(=O)Cc1c(F)cccc1C#N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	512320369	QLRRRPMLMVFSAP-SANMLTNESA-N	415.512	5.396	30	20	HKED	
C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccccc1Cl	512763663	RYXVWUSRUCECLU-ZDUSSCGKSA-N	423.925	5.475	30	20	HKED	
CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1	513749900	XXFNELRNALAVMZ-OXJNMPFZSA-N	412.917	5.324	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1Cl	515158382	NMRXIRCTXJUEKW-UHFFFAOYSA-N	407.857	5.033	30	20	HKED	
N#Cc1c(NC(=O)Cc2coc(-c3ccccc3)n2)sc2c1-c1ccccc1CC2	515628176	WTDCLMLKNMTQQW-UHFFFAOYSA-N	411.486	5.222	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1OC1CCCC1	517605242	NCPIFZMPPBBZDG-GOSISDBHSA-N	419.308	5.318	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	517843695	DWFBXICXXFEZIG-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1	518155893	OJGJUTDSTOHKIJ-JTSKRJEESA-N	423.582	5.171	30	20	HKED	
C=CCn1c(SCc2ccc(Br)s2)nnc1-c1ccc(F)cc1	520013875	FAJVWUFGHWSPFX-UHFFFAOYSA-N	410.337	5.387	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1	520152075	BCONPRGIYYLNLB-UHFFFAOYSA-N	404.510	5.160	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1	521282599	PUUYVQHLSQKJMU-VXKWHMMOSA-N	408.423	5.406	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1ccccn1	524012118	GYWVROMIGSTTBC-MRXNPFEDSA-N	402.837	5.550	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(F)c(F)c1	524440969	LEZBXXDMQYMNLM-UHFFFAOYSA-N	421.447	5.388	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1cccc(Cl)c1Cl	524572754	ROGSEQQGRSQMEX-OAHLLOKOSA-N	420.296	5.174	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1c[nH]c2c(C)cccc12	525560525	AHQMCCOHJMEMOT-UHFFFAOYSA-N	410.477	5.415	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1	539224087	XKCYBDZKGUCSRM-QAPCUYQASA-N	401.963	5.414	30	20	HKED	
C[C@@H](Sc1cccc(Cl)c1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	540042764	REKOVNNJFOEGAV-SNVBAGLBSA-N	413.911	6.035	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(Br)c(F)c1	540417337	LFRZSGSIQUNPIR-PBHICJAKSA-N	420.257	5.031	30	20	HKED	
C[C@H](N[C@@H](C)c1nc(-c2cccs2)no1)c1ccc(-c2cccc(C#N)c2)cc1	541077130	LWUZAGAIBUDORH-HOTGVXAUSA-N	400.507	5.749	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)c(C)c2c1	547427311	PNRXBVCOYKXMOS-UHFFFAOYSA-N	408.542	5.491	30	20	HKED	
CC(C)CCn1nccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	547995029	VKQTURSDCAEZKE-UHFFFAOYSA-N	419.504	5.174	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)n1	551497770	FNPLXCSWERRGNR-QGZVFWFLSA-N	419.525	5.105	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)sc2ccc(C#N)cc12	556485026	GXTOTBIHILYSNP-UHFFFAOYSA-N	417.465	5.447	30	20	HKED	
N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H]3c3cccc4ccccc34)C2)c(F)c1	557455480	ZTNCXZWEZXBIPR-RDPSFJRHSA-N	413.496	5.041	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1	558842057	LQSIFNFJGIAWSI-UHFFFAOYSA-N	404.514	5.394	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC(F)(F)C1	560106146	AWDPXQHQRJZICD-SNVBAGLBSA-N	418.328	5.301	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C1CC1	570821882	PHXHHNGFIQMRFW-SFHVURJKSA-N	408.910	5.840	30	20	HKED	
COc1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2Cl)c(C)c1	579032857	WGKIQWLLUWEUMT-XMMPIXPASA-N	416.912	5.056	30	20	HKED	
COCCOCc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	588926864	CQACLUJUBRPVDU-FQEVSTJZSA-N	400.522	5.239	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	592973941	LIULWQIYBJSTOG-AWEZNQCLSA-N	411.458	5.497	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)c1	603756756	KGFDDEUCETWFDZ-QZTJIDSGSA-N	402.416	5.444	30	20	HKED	
Cc1nc(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc1SCC#N	603775834	DFKDAFXBEQCVHF-UHFFFAOYSA-N	414.364	5.841	30	20	HKED	
C[C@H](CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1	608995410	OTCGNXYVFPZAAD-GOSISDBHSA-N	412.493	5.078	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3c3cccc(Cl)c3)o2)cc1	609070546	AWWDPZIHQJJQQX-NRFANRHFSA-N	406.869	5.361	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccco1)C1CCCC1	609468875	XOKGXFHGXGMIQM-UHFFFAOYSA-N	415.493	6.229	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)c2C#N)C1	609620709	GVQVJDAEGUGLTG-ZDUSSCGKSA-N	423.925	5.838	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1Cl	609807429	SUKTYSNVISXMSW-PZJWPPBQSA-N	419.937	5.964	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)cc1	610121067	JJLZEZLQLUHSMV-QHCPKHFHSA-N	404.510	5.031	30	20	HKED	
Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610436235	RZUGFTPLDHNKMY-HNNXBMFYSA-N	418.806	5.298	30	20	HKED	
N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccc(Cl)cc1	611251969	ZSKDZPBUBBYNFD-GOSISDBHSA-N	415.902	5.278	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2c(F)cccc12	613403016	ASOLCTGGHSAGKI-GFCCVEGCSA-N	418.371	5.999	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1	613969135	WEHLSYIYFMUGQH-FQEVSTJZSA-N	420.516	5.127	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc(-c2ccoc2C)n1Cc1ccccc1	614398323	QRWFCMHQHSLPSU-UHFFFAOYSA-N	400.507	5.367	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[nH]c(C)c1C(C)=O	614673916	YTRBGNMGZGNGFZ-HXUWFJFHSA-N	419.912	5.649	30	20	HKED	
O=C(CCc1cccc(F)c1F)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485607	SDTWYNPKSGFAMM-INIZCTEOSA-N	411.292	5.336	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1F	677781575	ZZEKHCOYSJBZGZ-KNVOCYPGSA-N	410.692	5.131	30	20	HKED	
CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1-c1ccccc1	683106049	POLCVKJYVRHKTD-MRXNPFEDSA-N	418.497	5.544	30	20	HKED	
Cc1cc(C)cc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	727978616	JUFRNGAEXHPYPL-UHFFFAOYSA-N	401.535	5.871	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2sc3cccc(Cl)c3c2Cl)c1OC	729429537	MGPPWFHCMODCMS-GFCCVEGCSA-N	421.305	5.220	30	20	HKED	
Cn1c(CC(=NOCc2coc(-c3ccccc3)n2)c2ccccc2)nc2ccccc21	730100804	XYALCDUUNCDLHA-UHFFFAOYSA-N	422.488	5.392	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(C(=O)O)s2)ccc1OCc1ccc(F)cc1	730589423	IFSVKATUPYJTSQ-YWEYNIOJSA-N	412.438	5.069	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2o1	732596528	WMLMGWKIWGOVLH-FDFHNCONSA-N	408.457	5.387	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1	733806246	XVYRLQUJEIKZBU-QFBILLFUSA-N	415.946	5.057	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	733910714	SFLOKDWGTKSFBJ-UHFFFAOYSA-N	415.232	5.280	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	735000947	RXGZSKUSPXQGLC-UHFFFAOYSA-N	421.840	5.435	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cccc(Cl)c1	735508090	UGIULKPLAQZSGL-QFIPXVFZSA-N	406.869	5.117	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1	739154611	LFMPKEFVQPDBMQ-KBXCAEBGSA-N	412.917	5.061	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1	740534947	JOAMIFQOPQJDCI-VLIAUNLRSA-N	407.901	5.225	30	20	HKED	
Fc1ccc2oc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)cc2c1	741756600	QNXGQDFJTFYOTB-UHFFFAOYSA-N	407.257	5.308	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1F	743037651	SVHJQSYIFMXWQJ-UHFFFAOYSA-N	421.453	5.070	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2cccc(OCC#N)c2)cc1	743102674	KWUJJFPGRSLRKK-QGZVFWFLSA-N	401.466	5.147	30	20	HKED	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744964033	SJOJCSKHAUAPMT-ZYHUDNBSSA-N	420.387	5.010	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc(F)c(C)c1)c1ccccc1Cl)c1ccncc1	745828874	WUZLULIBIPWSIY-DHIUTWEWSA-N	423.919	5.889	30	20	HKED	
CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	746658047	ASXZVFRYMLYECS-HSZRJFAPSA-N	403.913	6.049	30	20	HKED	
COc1ccc(/C=C(\C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1F	755611946	VHJDYBOEKLUMCK-OIOXUXFSSA-N	400.862	5.377	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccnc(Cl)c1	757930036	CMMBYBRNOJHBTE-YVMONPNESA-N	405.860	5.301	30	20	HKED	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	758534755	CTMQMZJMVZVQJX-HJPURHCSSA-N	417.459	5.771	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(C(CC)CC)cc1	759054768	OCBSTGLHGCZRJG-UHFFFAOYSA-O	421.630	5.545	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C1CC1	760483537	IVXIAVYJEVFIQT-HNNXBMFYSA-N	404.539	5.262	30	20	HKED	
CCOc1ccc(C=NO[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc1OC	763169059	ODABMJMBLPKZPS-HNNXBMFYSA-N	414.889	5.822	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)oc4ccccc34)n2)cc1	767960177	YNALZQRIRQRULN-IBGZPJMESA-N	402.475	5.292	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)cc1	767974223	STAAODSPSNSWRU-UHFFFAOYSA-N	406.576	5.356	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12	769547569	VYPVHKJJYCASGF-GOSISDBHSA-N	417.509	5.252	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(-c4cncnc4)cc3F)cc2)cc1	774138782	PUIGWDZMZFPVPR-UHFFFAOYSA-N	411.392	5.166	30	20	HKED	
COc1cccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2cc(F)ccc2OC)c1	776163160	PTMWYNLDBHDUNZ-GKVSMKOHSA-N	420.484	5.185	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)CSCc1cc(Cl)ccc1OCC#N	776271426	BTCBMTBVGAMRNI-KRWDZBQOSA-N	420.987	5.073	30	20	HKED	
C=CCSc1ccccc1C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1	776863593	AOZKGNRZBMXPKB-UHFFFAOYSA-N	412.555	5.284	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(OCc2cccc(F)c2)cc1	780671494	RYTKXECLNXDBJT-KRWDZBQOSA-N	419.456	5.017	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C	781074716	IVNZGZOHEYLMDP-NRFANRHFSA-N	410.518	5.549	30	20	HKED	
O=C(/C=C/c1ccncn1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	781445040	VYOCLXAJCQSGQV-MDZDMXLPSA-N	414.515	5.110	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCN(C(=O)OC(C)(C)C)C1CC1	789455448	LLDQMHJKDBCDSQ-UHFFFAOYSA-N	401.551	5.060	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	796809714	BXBWILUTFUANHI-AWEZNQCLSA-N	400.381	5.480	30	20	HKED	
CN(C(=O)C[C@@H]1CCC(F)(F)C1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	798214224	DMSOAQPKOPWANW-HZMBPMFUSA-N	403.313	5.593	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3cnn(C4CCCC4)c3)c21	799895046	CIFAUPSBPSZNGS-VAWYXSNFSA-N	407.514	5.192	30	20	HKED	
Cc1cccc([C@@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2cccc(F)c2)c1	800978712	JIQLUJQKOAKYHW-AREMUKBSSA-N	415.512	5.168	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1ccc(N(C)C)cc1	914521138	WEEUUPKITABPDP-UHFFFAOYSA-N	415.512	5.238	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)c1Cl	915101959	PAVNIQMCSFLCDJ-LLVKDONJSA-N	410.713	5.599	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cccc(Oc3ccccc3)c2)cc1	916546455	RNOZLTISLUDZEY-UHFFFAOYSA-N	420.925	5.898	30	20	HKED	
Cc1cc(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)cc1	916843783	QVXBHHWJFGWORT-HXUWFJFHSA-N	416.912	5.053	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(OCc2ccccc2)cc1	916937902	HQFBZIKCBCRLKC-LJQANCHMSA-N	422.843	5.019	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccc4c(c3)CCC4)n2)cc1	916973938	AHRVGTSIPSIEOD-FQEVSTJZSA-N	404.560	5.576	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916976848	GYTDLPKJZDBQGH-KRWDZBQOSA-N	416.930	5.712	30	20	HKED	
CCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046146	GFWAHEOTCLITQR-QGZVFWFLSA-N	410.926	5.742	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)ccc2c1	918627475	SDXNMXOIUMGAIT-YRNVUSSQSA-N	424.422	5.324	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc2cc(Cl)ccc2s1	920112991	NZKUDFMTWKYODH-INIZCTEOSA-N	414.889	5.013	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1	920114013	XGFOEQABLPBVEN-KDOFPFPSSA-N	414.452	6.199	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1	1831793674	IAPCLTSNRGRBJB-DHIUTWEWSA-N	414.634	5.345	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1832034086	IPXZKKAEPWFLNK-XWGVYQGASA-N	414.634	5.016	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2cc(Cl)c3c(c2)OCCCO3)S1	8221002	ALTIOXGATWIBBY-GZTJUZNOSA-N	414.914	5.010	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1cccc(C)c1	14871960	BSSUBWLEOIKPFE-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([C@@H](C)CC)cc1	39758050	NMEKULYTEXKNHE-SFHVURJKSA-N	420.582	5.299	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sccc3Br)n2)cc1	51153986	JAHZAFKNBRSWTQ-LBPRGKRZSA-N	403.326	5.433	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1	54570430	GRVIWKNSFXGXJB-AWEZNQCLSA-N	411.481	5.729	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(C#N)cc4)nc(O)c23)cc1	57457827	GLZABJMAHSPXSH-ZDLGFXPLSA-N	403.894	5.981	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Sc1ccc(Br)cc1	62905689	BCQUKVPNTFGIFK-OAHLLOKOSA-N	415.356	5.016	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12	78720079	CQJOBTLOZCTEJV-MRXNPFEDSA-N	413.502	6.141	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1	195669866	DRSADFFKWZYDKC-QFIPXVFZSA-N	414.505	5.353	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1	302992136	FZNOCANNSMSUIC-UHFFFAOYSA-N	412.331	5.451	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	303033726	OHJLNDVGUNVDRY-CYBMUJFWSA-N	424.394	5.017	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	303129700	BRRYZDJWDFBGNT-DLBZAZTESA-N	405.281	5.220	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1OCC	303159176	HKUDIMFXURXUPT-UHFFFAOYSA-N	416.319	5.164	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccccc2F)cs1	426902299	DXIKOCMEQVYSRB-UHFFFAOYSA-N	422.529	5.189	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](OCCCc2ccccc2)C1	431213999	QNWBGWSXPZJCFM-CTNGQTDRSA-N	423.582	5.336	30	20	HKED	
CCc1ccc(-c2noc([C@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)n2)cc1	431279538	GMHMJSAFVIVKAQ-LAUBAEHRSA-N	417.513	5.094	30	20	HKED	
CCCOc1ccc(Br)cc1CN[C@H](CCCC#N)c1ccccc1	433027500	VQWBJVXEVDEKGX-HXUWFJFHSA-N	401.348	5.763	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1csc(C)n1	433811346	JGCRAIGGDLWNJS-UHFFFAOYSA-N	408.483	5.247	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1)c1ccccc1	435599938	WWRSRNZLGVEXMI-NRFANRHFSA-N	403.482	5.669	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4cscn4)c3)n2)cc1	442867832	ZQDFMLRCWHRABP-GOSISDBHSA-N	417.515	5.432	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1ccc(Br)s1)c1nc2c(s1)CCCC2	443796289	AKPFYNXXMZBGAV-LLVKDONJSA-N	411.390	5.169	30	20	HKED	
CC(C)Oc1cc(CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)ccn1	443940768	UDWUVTQFTCDVAN-KRWDZBQOSA-N	424.570	5.317	30	20	HKED	
Cc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OCC2CC2)c1	446856682	PNRUOJMCFCCSJD-KRWDZBQOSA-N	409.555	5.357	30	20	HKED	
COc1ccc(OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc12	462663185	ZWUAFVYXDXGESI-INIZCTEOSA-N	406.507	5.260	30	20	HKED	
N#Cc1cnc2ccccc2c1N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1	462829012	VJEQNEBKMXCPDN-IBGZPJMESA-N	402.256	5.130	30	20	HKED	
COCCCCc1cccnc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	463027952	IGTUXDCRHJBZKD-UHFFFAOYSA-N	415.493	5.275	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Br)c1	463952408	SIHNIQIIWVDREL-KGLIPLIRSA-N	403.345	5.443	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1	466607041	CBCHQVBAHHZAKY-LJQANCHMSA-N	412.921	5.567	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	467346055	ISLZRJDIFMYKOS-QGZVFWFLSA-N	411.477	5.160	30	20	HKED	
O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	468525265	UUBYXCJTBJPBCX-QWRGUYRKSA-N	407.276	5.152	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1	470506585	FVPPNRKAVDWVFQ-UHFFFAOYSA-N	419.466	5.278	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](c2ccsc2)O1	470760780	SLCDIKXHJPSWGV-HXOBKFHXSA-N	418.518	5.209	30	20	HKED	
Cc1nc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc2o1	470889340	PYLMZDIQDODIKC-UHFFFAOYSA-N	405.401	5.413	30	20	HKED	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	473630834	JMMIPMSTRLEGLK-HUUCEWRRSA-N	423.567	5.016	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	475185387	ILPJPNRERBVQPQ-UHFFFAOYSA-N	421.541	5.100	30	20	HKED	
N#CC[C@H](CC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1	475761998	SMSRDSQVGMHNDK-FOIQADDNSA-N	421.299	5.120	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1	477927636	LFZRMJVKRJHDNQ-UHFFFAOYSA-N	418.456	5.125	30	20	HKED	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	478499608	FYFPBICJGBZNCZ-UHFFFAOYSA-N	422.488	5.207	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cncc(Cl)c2Cl)cc1C	480828305	JKOZARVIYQMUOP-UHFFFAOYSA-N	414.296	5.035	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)nn1-c1ccc(Cl)c(Cl)c1	483222729	COZDHTWRHZQNQF-KRWDZBQOSA-N	421.287	5.526	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c1C#N	484466738	NCBCFWRBZLVWKV-OAHLLOKOSA-N	409.530	5.102	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)n1	498666467	IACLBXVUCYIYGL-OAHLLOKOSA-N	408.508	5.132	30	20	HKED	
CN(C(=O)c1occc1COc1cccc(C#N)c1)c1cc(Cl)cc(Cl)c1	499545075	KPEBZRCVFFBFJL-UHFFFAOYSA-N	401.249	5.314	30	20	HKED	
COc1ccc(CN(CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@@H]2C)cc1OC	499603696	RZJPKSQQVXOIBG-UNMCSNQZSA-N	414.590	5.185	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCCC(=O)c1ccccc1	500756036	DJEIZAQMJJZRAR-UHFFFAOYSA-N	412.489	6.041	30	20	HKED	
Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)no1	500764575	CRNSFSNNVCUCAC-HXUWFJFHSA-N	417.469	5.191	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1	505229958	LXJZXZRCSFCHQC-LJQANCHMSA-N	423.557	5.284	30	20	HKED	
O=C(NCc1cccc(C(F)(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	508773232	HBCCVURYRHAKAI-OAHLLOKOSA-N	408.317	5.337	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1	509530438	YMJKMRVABYYXGC-QGZVFWFLSA-N	413.543	5.554	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1F	510581277	XMGXSSQGCWUANW-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@H](c1ccc(Cl)cc1)c1cccnc1	512307009	XKDBEWSGGWMWQZ-OAQYLSRUSA-N	410.304	5.512	30	20	HKED	
Cc1ccc(C)n1C1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1	512612460	GZNJPKOXICICFD-UHFFFAOYSA-N	413.521	5.033	30	20	HKED	
COc1ccc(C[C@H](N[C@H](C)c2ccc(C#N)cc2F)c2ccccc2)cc1OC	512661748	UBAHIPNKFHWNBP-HXOBKFHXSA-N	404.485	5.349	30	20	HKED	
CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	513674972	MRRQAECUGKJEPE-HYBUGGRVSA-N	406.526	5.111	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	517905395	ANNCDKOVWYYSAF-DEOSSOPVSA-N	413.477	5.728	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	518176935	FELBKFXISITRIZ-UHFFFAOYSA-N	411.461	5.310	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	518740074	GMUZXUOJWNEAHH-WQVCFCJDSA-N	405.350	6.130	30	20	HKED	
COc1ccc(N(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C(C)C)cc1F	518909252	UQHWTUUPWRZMNF-UHFFFAOYSA-N	418.468	5.748	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cccc(COC2CCCCC2)c1	520743020	VVCOYLHXKADWHC-UHFFFAOYSA-N	409.555	5.202	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)c1	521810664	YLXIYNREOOJZKK-HSZRJFAPSA-N	401.441	5.859	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCCOc3ccccc3)cc2F)c1	524458376	UWTWMZDMOBUGRP-UHFFFAOYSA-N	404.441	5.074	30	20	HKED	
N#CCc1ccnc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)c1	531924131	XPSLRFNMDDPVKH-UHFFFAOYSA-N	403.385	5.027	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	532229575	YNVRRQDOKVSIJQ-DEOSSOPVSA-N	412.493	5.731	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	535210560	IRDNHPDIBRHSRB-GOSISDBHSA-N	418.566	5.595	30	20	HKED	
N#CCCn1cc(CN2CC[C@@H](CSc3ccccc3)C2)c(-c2ccccc2)n1	536665920	HPYGJPMMGLCZFY-HXUWFJFHSA-N	402.567	5.078	30	20	HKED	
C=CCC[C@H](NCc1nnc(Cc2ccccc2C)o1)c1ccc(C(F)(F)F)cc1	539330355	HCJVNRPVFVQLCO-FQEVSTJZSA-N	415.459	5.785	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	539885196	LVYAQIUXEMSJTO-QHCPKHFHSA-N	401.510	5.124	30	20	HKED	
CCOc1ccc(CCC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc1	540700878	NDSVWRWPNBLUHW-UHFFFAOYSA-N	402.538	5.125	30	20	HKED	
C[C@@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1ccc(-c2cccc(C#N)c2)cc1	541070069	PMDMIWWTRDXRGU-QGZVFWFLSA-N	416.525	5.106	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1	542004294	GFNNVZYVVQAJJO-MOPGFXCFSA-N	408.505	5.996	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc3ccccc3[nH]2)cc1	549330287	AHCFADIUQKNNKH-UHFFFAOYSA-N	412.468	5.091	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2ccc(-c3csc(C)n3)cc2)ccc1OC	550844781	XTYJDYOKMDAQSD-KRWDZBQOSA-N	408.567	5.933	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)N(Cc3ccccc3)c3ccccc3C#N)cc2)n1	551889308	FSZFHUOBQWHLOO-UHFFFAOYSA-N	420.516	5.137	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](COC(F)F)C3)cc2Cl)cc1	554169422	QVXFUVTULXADOY-AWEZNQCLSA-N	421.831	5.097	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccc(F)c2ccccc12	559908615	YNJGUYCKFJUQES-ZDUSSCGKSA-N	423.513	5.025	30	20	HKED	
C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1ccc(COC)o1	581039306	BJSGREDIEVTVQL-SFTDATJTSA-N	406.530	5.087	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccccc1CC#N	583218988	PWGDBLYUBVCZQP-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
N#CCCCCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1	588156042	SWEWQCAJDCAIML-DEOSSOPVSA-N	409.961	5.048	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccccc1	590477561	VPZBSDHSXSYJIR-HSZRJFAPSA-N	422.532	5.178	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(C#Cc3cccs3)c1)CCC2	601103134	WUNFKIXGNRSXNH-HXUWFJFHSA-N	407.564	5.454	30	20	HKED	
CC(C)(C(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Br)cc1	603727936	WBHJCPOWOJOZKC-UHFFFAOYSA-N	403.345	5.177	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12	603737348	BCCRIDHWQIKRBX-UHFFFAOYSA-N	415.541	5.426	30	20	HKED	
CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	604160431	IXJPXOQBXWHSKV-UHFFFAOYSA-N	418.324	5.023	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCc3ccc(O)cc3)cc2Cl)cc1	604459718	NZUSFMKYEMAQSZ-UHFFFAOYSA-N	407.857	5.074	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1	606773276	FEFTYYHQHAOTFF-DYESRHJHSA-N	419.443	5.168	30	20	HKED	
C=CCCCCCN(C)C(=O)c1cc2ccccc2cc1OCc1c(C)noc1C	606881658	XOEGNZXZMDTJLQ-UHFFFAOYSA-N	406.526	5.842	30	20	HKED	
N#C[C@H](C(=O)c1cnc2ccsc2c1)c1nc2cc(C(F)(F)F)ccc2s1	608552857	HESAZRHZNNKXNJ-LLVKDONJSA-N	403.410	5.415	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc(-n2cccc2)cc1	609061470	OMMMCHXCZMRPOT-UHFFFAOYSA-N	421.500	5.418	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1[N+](=O)[O-]	609063235	SAKWIFPIYYLRNI-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)c2)cc1	609209589	CXLGUYVEDNRCQW-ZEQRLZLVSA-N	413.477	5.392	30	20	HKED	
Cc1ncc(-c2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)o1	609297549	WXAGMOCZVRSMRB-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
CC(C)COc1ccc(CCNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	609403070	QDSZESPVQQTAOF-SFHVURJKSA-N	411.571	5.337	30	20	HKED	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	609403116	UFIVCNSSFWSAJV-CQSZACIVSA-N	422.381	6.299	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1	609436827	HCKRHCQKQMJWMS-HUUCEWRRSA-N	421.488	6.325	30	20	HKED	
C[C@H](N[C@H](Cc1ccccc1)c1ccccc1F)C(=O)N(CCC#N)c1ccccc1	610139801	HTRYKYQAADWEPP-NBGIEHNGSA-N	415.512	5.034	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccccc1Br	610676684	WOSXQVSHROTRAZ-QGZVFWFLSA-N	415.335	5.246	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C1CC1	611195111	JKWBOSDCEGEULV-OAHLLOKOSA-N	416.485	5.434	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCC2CC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	619753817	PDAXFBNRKHCFAR-MRXNPFEDSA-N	416.424	5.594	30	20	HKED	
O=C(Nc1cccc(F)c1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	672847165	LOLQFIZURQAUBU-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
CC(C)(C)c1nc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1	726858894	XWGGWVGUVYHKGR-LBPRGKRZSA-N	423.485	5.488	30	20	HKED	
CC(C)CCN(CCC#N)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S	728901662	PRDPFPGHNBHTJR-UHFFFAOYSA-N	401.580	5.399	30	20	HKED	
CCCCCCn1c(SCc2ccc(OCC#N)cc2)nc2ccccc2c1=O	729241360	WPHHXKSNUTVKSZ-UHFFFAOYSA-N	407.539	5.171	30	20	HKED	
Cc1ccccc1OCCSCC(=O)Nc1ccccc1S[C@@H](C)CC#N	731039899	CJIHMNXIUMGKHK-KRWDZBQOSA-N	400.569	5.140	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(C)C)cc2C(C)C)ccc1OC	733619701	DLQZUMHROZRIJU-FQEVSTJZSA-N	423.557	5.945	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)COc1cccc(C#N)c1	733862432	VAYYSOJIJWQBEH-HNNXBMFYSA-N	422.506	5.080	30	20	HKED	
CCCCC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)C	734699478	ZYLHYGNSXXFUJE-XZOQPEGZSA-N	419.569	5.392	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NCC(=O)Nc1cc(Cl)ccc1C#N	735307450	KZQSHMZRIKPPPQ-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCCC(=O)Nc1ccc(Cl)cc1F	735320538	WXBJSWZTFNPCCN-UHFFFAOYSA-N	413.301	5.297	30	20	HKED	
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	736159506	WQIDFONGAVRGJM-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2coc(C)n2)cc1	739498046	LILGKDIYTYIZQN-UHFFFAOYSA-N	402.372	5.486	30	20	HKED	
O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	741448369	XAUDKIUCCVTMEN-AUWJEWJLSA-N	408.441	5.318	30	20	HKED	
O=C(/C=C\c1cc(Cl)ccc1OC1CCCC1)c1cccc(N2CCOC2=O)c1	742433454	YHTOQJWXUKRILL-NTMALXAHSA-N	411.885	5.514	30	20	HKED	
Oc1ccc(Br)cc1C=Nc1ccc(OCc2ccccn2)c(F)c1	746816782	UOTCWLRYMPSCRO-UHFFFAOYSA-N	401.235	5.018	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc(F)c1)C(=O)c1ccccc1	747151023	WBOYVNIMZVDPTC-HAVVHWLPSA-N	401.481	5.856	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc(C(C)C)cs1	747199137	PLXQPDPCRJDQDB-SFHVURJKSA-N	412.946	5.141	30	20	HKED	
CC1CCN(c2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)CC1	752626404	SUCVCAGYNIFIOJ-ZEQRLZLVSA-N	402.542	5.227	30	20	HKED	
COc1ccc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)c1	754530890	FSVQYBSNLLKNOF-FQEVSTJZSA-N	420.534	5.335	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCc3cc(Cl)ccc3OCC#N)s2)cc1	754776361	YUMVVGYIFWHRPQ-HNNXBMFYSA-N	411.958	5.834	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc(C(F)(F)F)no2)cc1Cl	762251706	ROSMXLPGHNIQDG-UHFFFAOYSA-N	407.735	5.263	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(F)cc2N(C)C)cs1	764440956	FBIKZVWRKZILDD-WQLSENKSSA-N	423.513	5.237	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(NC(=O)NC(C)C)cc2)cc1	765245913	PYPIUEXUSISLLS-QGZVFWFLSA-N	401.938	5.199	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1ccc(Br)cc1Cl	765613888	OTCBBYNYPIDVLB-ALCCZGGFSA-N	405.704	5.517	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)cc1	766615116	CDQOKRXTMLCNSH-CXAGYDPISA-N	411.324	5.553	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	772461582	DJDFMUYLDLVHSF-IFMALSPDSA-N	419.525	5.254	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)ccc1OC	774450940	WJXVYAMLUJKGRS-HTAPYJJXSA-N	419.352	5.924	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc2[nH]ccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	776077374	OFJSVGQDSRXDFJ-GOSISDBHSA-N	405.910	5.754	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)OCc2ccc(C3(C#N)CC3)cc2)on1	777148911	TYGCNACCQIUVCK-UHFFFAOYSA-N	404.491	5.188	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1O[C@H](C)C#N	780671895	WTXOCDUMHNXOLI-OAHLLOKOSA-N	416.319	5.182	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	780678083	PRXLYHWNLJRKMS-IIBYNOLFSA-N	420.900	5.131	30	20	HKED	
C#CCC1(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)CCCCC1	788216256	PJXRUNMZBUTVND-UHFFFAOYSA-N	424.566	5.462	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nccc2ccccc12	792102682	GVSNEHZTTNUDND-JZLODUJNSA-N	400.787	5.797	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(O[C@@H](C#N)CC)c1	793509144	KDMKBPDNTOYERF-MRXNPFEDSA-N	423.900	5.168	30	20	HKED	
CCCNc1ccc(C#N)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1	795266060	HFPUVHMGBYBQPZ-UHFFFAOYSA-N	401.392	5.061	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)cc(F)c(F)c2F)cc1	797520457	FUPPPVZSZMQOLW-MRXNPFEDSA-N	413.374	5.220	30	20	HKED	
N#C[C@H](C(=O)CO[C@@H]1CCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	797552142	UAPZJGPJANMXSJ-IIBYNOLFSA-N	424.472	5.359	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	797613969	PIPIYBHVQGHJKZ-PKTZIBPZSA-N	413.525	5.318	30	20	HKED	
N#CCCN(Cc1cccnc1)Cn1c(=S)sc2ccc(C(F)(F)F)cc21	798151054	WDCBJECHKZDPLE-UHFFFAOYSA-N	408.474	5.219	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Cl)c(F)c2)cc1Cl	808260207	LXKKDKYATGCTCW-INIZCTEOSA-N	400.240	5.435	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	810186152	PCQYEPSCHDPWJA-UHFFFAOYSA-N	404.507	5.087	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1O	811699585	WDONVLAIJCBPGS-PKNBQFBNSA-N	407.853	5.203	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	815113381	ZKELCEQDPPMKKW-UHFFFAOYSA-N	412.358	5.416	30	20	HKED	
Cc1c(NCc2cc(C#N)ccc2Br)cccc1NC(=O)OC(C)(C)C	864032591	RXACWLZGOZEANQ-UHFFFAOYSA-N	416.319	5.588	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)/C=C\c3ccc(Br)o3)c2)c1	915283781	AMAUXJVOJZBUMZ-NTMALXAHSA-N	423.266	5.145	30	20	HKED	
N#CCOc1cccc(NC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)c1	915742630	XLMKUBKLCGDGIP-HYARGMPZSA-N	406.844	5.561	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1	916679471	PDYIMWVFDWQBQE-JWQCQUIFSA-N	413.496	5.720	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C2CCC(C)CC2)C2CC2)c1=S	917437899	ONAJIEIACLOBHF-UHFFFAOYSA-N	412.603	5.276	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4ccccc4c3Cl)n2)cc1	920139135	NPWNELKXPMREPH-OAHLLOKOSA-N	424.934	6.177	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(CC(C)C)cc3)n2)cc1	920141598	FUNDJKSMXXECBF-OAQYLSRUSA-N	404.535	5.436	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Sc2ccccc2)c2ccccc2)n1	920326324	CETFJNWVUUEFNK-FXAWDEMLSA-N	422.531	5.030	30	20	HKED	
Cc1ccccc1SCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920803764	BQEZJTLYNPJWDZ-ZDUSSCGKSA-N	400.475	5.365	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(-n2ccnc2)cc1	921236418	OSQSLSJUEGLECD-UHFFFAOYSA-N	423.476	5.166	30	20	HKED	
Cc1ccc(Cc2sc(NC(=O)CSc3ccc(C#N)c(C)c3)nc2C)cc1	1559429460	UCLWFXSMOWAEJL-UHFFFAOYSA-N	407.564	5.262	30	20	HKED	
N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCCCC4)cc3)CCC2)cc1	1787627418	SECHWGNDNOOOFH-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
Cc1ccccc1-n1c(SC[C@@H](C#N)CCC#N)nnc1-c1ccc(Cl)cc1	7033526	NIEKTHAWSFHKGJ-MRXNPFEDSA-N	407.930	5.432	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(O)c2)c1	10827010	GWFVUOZRUKBEBM-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1cccc(C)c1	14871845	HDCOXTVSILLNHP-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2c(Cl)cccc2Cl)n1	21514576	LODUUFQNIMEOTA-UHFFFAOYSA-N	420.243	5.318	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OCc1ccccc1Cl	41520262	VJADCNXNZGQFOJ-MRXNPFEDSA-N	412.898	5.183	30	20	HKED	
CC(C)OCc1c(/C(O)=N/c2nnc(Cc3ccccc3)s2)oc2ccccc12	49984392	SWFKEIOUHVKBKC-UHFFFAOYSA-N	407.495	5.436	30	20	HKED	
Cc1cc(C)c(C#N)c(SCc2coc(-c3ccc(Br)cc3)n2)n1	63846399	ALWYJVFVLVMIEJ-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
CCN1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C\c2ccc3ncccc3c2)C1	212897668	WBCQPZNTRLOBAT-MPKYGIEOSA-N	405.501	5.155	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCc3cccc(OCCCC#N)c3)s2)cc1	237335113	UWEVUDPEMQJXPI-GOSISDBHSA-N	405.567	5.960	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)cc1	303806783	UJZVSFGPLFFIFA-UHFFFAOYSA-N	418.909	5.486	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)cc2)c1	303948552	YPGMLIANMXFYBN-UNMCSNQZSA-N	404.416	5.158	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(OC(F)(F)F)c1	431284689	WDLATBXPUUWSLS-BEFAXECRSA-N	405.420	5.381	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	431975162	VYWKAEPARFYJAR-SGNDLWITSA-N	405.542	5.197	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@@H](CCCC#N)c2ccccc2)on1	433020684	OKNONRXNSFKVJE-QHCPKHFHSA-N	411.505	6.028	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	433519083	SONBTNPYVWDDIM-UHFFFAOYSA-N	407.514	5.456	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCC(CO)CC1	435650072	CGONRQIAWPQCHM-VFIGECHUSA-N	411.933	5.010	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	435673460	VCYMNKZSPMBWQO-IBGZPJMESA-N	423.900	6.014	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	436351149	ISMVUZSJPXVXOP-BTJLNZGRSA-N	405.445	5.033	30	20	HKED	
COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	438061288	ZBLBEYQLHCBYRH-OAHLLOKOSA-N	411.527	5.175	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	438478763	XNULWBAEPDAMOW-UHFFFAOYSA-N	409.599	6.198	30	20	HKED	
N#Cc1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1C(F)(F)F	438649699	VPDKIHLQNICQGX-UHFFFAOYSA-N	424.426	5.249	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c(Cl)c1	441069290	SPMXRYVUSXBKNI-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1	444009940	NWCKEQFJXQCJLN-INIZCTEOSA-N	416.502	5.127	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	446223790	BLGMHESCRUQXGX-CYBMUJFWSA-N	418.353	5.202	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C	448068849	XTTMIBMUXAKEDW-FQRUVTKNSA-N	422.569	5.113	30	20	HKED	
CC(C)(C)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1	460155405	NUUVHIGZMPPFIY-UHFFFAOYSA-N	409.873	5.328	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1	460335991	RWKCVGDDWNODOV-UHFFFAOYSA-N	421.859	5.156	30	20	HKED	
C=C(C)[C@@H](NC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc(F)c(F)c1	463275318	USJJGQNBIAWHFB-OAQYLSRUSA-N	404.888	5.130	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNc1ccc([N+](=O)[O-])c(C#N)c1	463330487	RQDNMDQOGLXHFX-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
C=CCOCCCC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	463664792	MDVKQPROMRKLMD-UHFFFAOYSA-N	420.431	5.187	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)c1cccc(Br)c1	463952409	SIHNIQIIWVDREL-UONOGXRCSA-N	403.345	5.443	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)Nc1ccc(CC#N)cc1	464615960	HXWMJDDPTCAEGG-UHFFFAOYSA-N	418.884	5.611	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ncccc1OCCCC#N	466598630	RYDNGZFHCQNKIR-ZDUSSCGKSA-N	407.301	5.296	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1F	466653042	CNDVIBUZVCMZGJ-SCLBCKFNSA-N	420.257	5.031	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1	471635216	NDNHSINETIFYQV-GFCCVEGCSA-N	419.337	5.907	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1SCc1ccc(C#N)cc1	473396441	QXKPCLHMPLOBPO-RDTXWAMCSA-N	404.457	5.263	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	473805554	GQYAEROWNHZXDO-UHFFFAOYSA-N	408.408	5.100	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)n1	474447150	PNUWRHIIZZVLSA-QGZVFWFLSA-N	423.925	5.662	30	20	HKED	
C=C(C)[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(F)c(F)c1	475695221	ISTHGRGAKXZBAP-HXUWFJFHSA-N	402.828	5.249	30	20	HKED	
N#CC[C@H](CC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1	475762005	SMSRDSQVGMHNDK-QRWLVFNGSA-N	421.299	5.120	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2nc(-c3ccccc3)oc2c1	476202826	NCWWIYGHNOFEOC-GMAHTHKFSA-N	407.473	5.407	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	477545639	WQTUMZRPDDCFOW-KXBFYZLASA-N	421.488	5.766	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3cc(C(C)=O)ccc3C#N)CC2)n1	478144523	GTIKVGKARJQNHM-UHFFFAOYSA-N	417.534	5.277	30	20	HKED	
C[C@H](NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccc(C#N)cc1	481221398	BGUNEDWILVMSOC-KRWDZBQOSA-N	401.535	5.060	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)nnc1-c1ccccc1C	481334549	BADFDKVDOXGNGI-OALUTQOASA-N	420.582	5.106	30	20	HKED	
CCS[C@H](C)c1noc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)n1	481345390	JMAMGAADMUEMHQ-GFCCVEGCSA-N	412.540	5.191	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C2CC2)cc1	482154229	FVMUOHJRKDTLOJ-SFHVURJKSA-N	407.823	5.189	30	20	HKED	
O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N(Cc1ccccc1)CC(F)F	482420739	XIEVQSWNBAELLF-INIZCTEOSA-N	408.317	5.045	30	20	HKED	
CN(C(=O)c1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1)c1ccccc1	483203596	SIFHIJPSQUDRNQ-QHCPKHFHSA-N	405.457	5.001	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nccc2ccccc12	483219929	MUNUTRUGEDMAKV-NRFANRHFSA-N	422.444	5.245	30	20	HKED	
CC(C)COC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccco1	483673661	SBWQMTSBUXXQTF-JOCHJYFZSA-N	404.466	5.087	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	485655703	XSINWAJDNKGLHN-MRXNPFEDSA-N	419.790	5.317	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c(F)cccc2F)CC1	486536091	RQOPZFBRNOLUHF-OAHLLOKOSA-N	415.509	5.628	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c12	487262956	CNGBLOJNFJZGQQ-IBGZPJMESA-N	402.498	5.218	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3cccc(F)c3C#N)ccc2OC(F)F)cc1	487774347	WMSYETASKNPIAX-UHFFFAOYSA-N	412.367	5.227	30	20	HKED	
Cc1ccc(-c2noc([C@H](C)Sc3nc(C(F)(F)F)ccc3C#N)n2)cc1F	488738323	UFJBPLDSAAPNIP-JTQLQIEISA-N	408.380	5.323	30	20	HKED	
Cc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1OCc1csc(Br)c1	497347503	NZLJERITWZHIJD-UHFFFAOYSA-N	421.360	5.020	30	20	HKED	
N#C[C@H](C(=O)c1ccnc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	498664103	ZVSGAQCMDBFBCT-MRXNPFEDSA-N	424.312	6.155	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccccc1	500125677	UUVZJYVWGLKQRQ-DEOSSOPVSA-N	415.562	5.472	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1nc(-c2ccco2)oc1C	500766896	CEJLYBHXGFGUJY-UHFFFAOYSA-N	413.433	5.397	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2nccn2-c2cccc(Cl)c2)c1C	501602568	DHYDCSQGFMDMCR-UHFFFAOYSA-N	424.957	5.182	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c12	504340736	HXKYWQOHHCTESI-OAQYLSRUSA-N	413.908	5.966	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(N2CCc3ccccc32)CC1	505327181	ZXVQQSAYZJCMCU-GOSISDBHSA-N	420.582	5.140	30	20	HKED	
N#C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1c(Cl)cccc1Cl	505533020	OASBARYAVFWTDE-QGZVFWFLSA-N	414.292	5.352	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(F)c(F)cc2Br)cc1	505832816	MVDMBNYVCFEEFX-QGZVFWFLSA-N	407.258	5.019	30	20	HKED	
Cc1ccc(C)c(OC2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1	510706822	ZMJOCPZUMDGIFR-UHFFFAOYSA-N	407.514	5.038	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)cc1	511354001	UJDXCBXSPPSMNN-DEOSSOPVSA-N	413.521	5.098	30	20	HKED	
Cc1ccccc1-c1cc(NC(=O)c2cccc(CC#N)c2)n(Cc2ccccc2)n1	511675066	UHLLSIBDTUKVRX-UHFFFAOYSA-N	406.489	5.225	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)Nc2ccc(CCC(F)(F)F)cc2)n1	513113589	PPLWAKPQOFAVCE-UHFFFAOYSA-N	417.366	5.022	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C	513665303	CYCYECGXWPBYRD-HNNXBMFYSA-N	406.898	5.149	30	20	HKED	
COc1cccc(COc2cccc(Cl)c2CN(CCC#N)Cc2ccccn2)c1	513730317	YCHDVFCSPMLJCF-UHFFFAOYSA-N	421.928	5.238	30	20	HKED	
N#CCCCOc1cccc(CNCc2ccc(-c3ccc4c(c3)CCCO4)cc2)c1	517546064	PCJVWRCEFAARDN-UHFFFAOYSA-N	412.533	5.651	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCCc3cccc4cccnc34)cc2)cc1	518371218	ORZOUXRMDXIKGJ-UHFFFAOYSA-N	407.473	5.066	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1	520142607	ZYLBEDZNKHBQRA-KRWDZBQOSA-N	403.482	5.162	30	20	HKED	
COCCOc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	522576258	XGMBOZTXNFYQHG-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@@H](C)c1ccc(C#N)cc1	523983747	OYKMSSXFGQIXLH-KRWDZBQOSA-N	401.514	5.233	30	20	HKED	
N#CCc1ccnc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1	531924762	XOBCIWBGABUEBH-UHFFFAOYSA-N	416.531	5.181	30	20	HKED	
CCN(C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)[C@@H](C)c1ccc(C#N)cc1	534496291	DJXBEHFMNLWAQP-IBGZPJMESA-N	411.505	5.058	30	20	HKED	
Fc1ccc(-c2nc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)co2)cc1	538321963	HKZBLNKOSYKCTB-MRXNPFEDSA-N	418.312	5.893	30	20	HKED	
C=CCC[C@@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccccc1	540458296	NIBYSUCPPXZACH-OAHLLOKOSA-N	404.333	5.358	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)C2CC2)cc1	541429301	YKJQBNUWICDLTB-UHFFFAOYSA-N	424.476	5.080	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N[C@H](c1cccc(F)c1F)C(F)(F)F	542399838	AUYVSHNORHBINK-CQSZACIVSA-N	412.280	5.495	30	20	HKED	
COC1CCC(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	543602587	MJELKODLWDXTSV-UHFFFAOYSA-N	408.567	5.176	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1	543943968	UXFTZYDAOPJNHD-VGSWGCGISA-N	400.482	5.129	30	20	HKED	
COc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	543987114	JJVAZZRVFVUTRT-LJQANCHMSA-N	412.470	5.026	30	20	HKED	
CO[C@H](c1cccc(Cl)c1)c1noc(-c2ccc(COc3ccccc3C#N)o2)n1	545062409	DLSJCWOJPATQSY-HXUWFJFHSA-N	421.840	5.169	30	20	HKED	
N#CC1(c2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)CCCCC1	546321457	VLDCAMQOFFVMFO-UHFFFAOYSA-N	409.493	5.374	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1	548192878	CUPDAOUXXIOHOR-SFHVURJKSA-N	405.445	5.208	30	20	HKED	
C=CCOc1c(Br)cc(CNc2ccc([C@@H]3CCOC3)cc2)cc1OC	549908931	PRJZWZVCUORBAH-QGZVFWFLSA-N	418.331	5.139	30	20	HKED	
Cc1noc([C@H]2CCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1	553392424	UGNPABYROCBTGJ-LJQANCHMSA-N	422.872	5.063	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)s2)o1	557299943	RPSZNKMUAWQQSC-ZDUSSCGKSA-N	406.294	5.321	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1	557699605	GNHLDIRNFIAABC-OAHLLOKOSA-N	422.531	5.781	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2)ccn1	558512758	ZIWQOHSUIBIJKN-DEOSSOPVSA-N	421.460	5.052	30	20	HKED	
N#Cc1ccc(Oc2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)N4C3=O)c2)cc1	561029925	BJBKWVQJAMVZFS-GOTSBHOMSA-N	409.445	5.023	30	20	HKED	
CCN(CC)C(=O)c1ccc(NCc2ccc(Br)cc2C#N)cc1Cl	571441999	HMVYAAYZWCRVFL-UHFFFAOYSA-N	420.738	5.068	30	20	HKED	
COCCN(C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccc(C#N)cc1	577676497	HMNRNNHURFFWLI-UHFFFAOYSA-N	407.473	5.067	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589470595	LVQVMQLIWNFYSU-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	590208551	UWXGXZMYJIXICF-GFCCVEGCSA-N	423.485	5.769	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	590336789	QLOJITKJAPBTCE-XHDPSFHLSA-N	406.301	5.541	30	20	HKED	
CCN(Cc1ccccc1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603689556	PJAXHSKIMSHFDY-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
COc1cc(C)ccc1OCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603758843	KZPFMAVMMMHOJL-HXUWFJFHSA-N	420.896	5.330	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cnn1-c1ccccc1	603991622	DSILMYDYFXCBAX-UHFFFAOYSA-N	410.502	5.132	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)o1	608968909	YFTWYFKVYFDDNY-FQEVSTJZSA-N	400.478	5.140	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(Cl)cccc2s1)c1ccccc1Br	609591582	VNGNMCZDSYEBSI-AWEZNQCLSA-N	405.704	5.312	30	20	HKED	
COCCOCc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	609601936	UVXBQPACUQCTJT-UHFFFAOYSA-N	417.465	5.158	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	610220340	BPPXKYCAFKRQSL-CQSZACIVSA-N	411.458	5.180	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[C@H](c2nc3ccccc3s2)C1	610246738	VFENHSVFSSQEJO-ZDUSSCGKSA-N	406.461	5.378	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	610530702	XOAUYHUWDGEWJD-KKSFZXQISA-N	404.901	5.316	30	20	HKED	
Cc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)nn1-c1ccc(Cl)c(Cl)c1	611478161	VQZZLSMFAUWYTP-UHFFFAOYSA-N	417.271	5.187	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccccc1OC(F)F	615675395	PWBAOORVVJQCKY-LJQANCHMSA-N	404.457	5.146	30	20	HKED	
CC(C)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	620304261	OZUOIVKSQSTSIK-INIZCTEOSA-N	412.461	5.613	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)o1	642156533	BRFVAYQRNOYKSH-RYUDHWBXSA-N	423.328	5.725	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(Br)c1)c1nc2cc(F)ccc2s1	677086503	WKNOLDWMMXZNCM-JTQLQIEISA-N	409.667	5.341	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1F	677855313	LCXICRYZMZLLSV-BQBZGAKWSA-N	409.704	5.258	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	679557103	XJFKIBIJTNLQSE-BDAKNGLRSA-N	418.309	5.084	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc2cc(Cl)ccc2s1	727628361	KHJZQHOWZXNFOP-AWEZNQCLSA-N	420.843	5.877	30	20	HKED	
O=C(/C(=C/c1nccn1CC(F)(F)F)c1ccccc1)c1nc2ccccc2s1	728699249	DLOSMPCXKJFGMU-NTCAYCPXSA-N	413.424	5.479	30	20	HKED	
N#CCn1c(C(=O)O[C@H](c2ccc(Cl)cc2)c2cccnc2)cc2ccccc21	730428876	KLQCATNCEXYFBL-JOCHJYFZSA-N	401.853	5.160	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl	731061174	CAALGLKEGUTEHN-LBPRGKRZSA-N	423.321	5.183	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)c1	733755584	VTGPFSJTQDKEQN-XJKSGUPXSA-N	422.381	5.400	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)c1	733801215	MVNUUCXBHIDWPP-PXNSSMCTSA-N	411.571	5.428	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c1	733803154	TUJHPPCCFOEZGB-APWZRJJASA-N	420.538	5.051	30	20	HKED	
Cc1c(F)cccc1-c1ccc(C=Nn2c(S)nnc2SCc2ccccc2)o1	734296955	QFTULSHCDKXZDO-UHFFFAOYSA-N	424.526	5.449	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(N4CCCCC4)c3)c2)cc1	734319588	YCCLYPNWOJAJAL-UHFFFAOYSA-N	411.505	5.380	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1	735429777	VHGWADZJHGAGQE-FQEVSTJZSA-N	405.841	5.085	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccccc2SCC#N)cc1	742894176	WTSWAZRMIDIIKU-OAHLLOKOSA-N	411.527	5.140	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)Sc2ccc(Br)cc2)n1	747199606	YGMBMCXLMNKFRJ-RISCZKNCSA-N	409.374	5.386	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1nc(-c2ccccc2)oc1C	748100673	YFZABYHDOSIUDB-UHFFFAOYSA-N	400.482	5.062	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3coc(-c4ccc(C)cc4)n3)cc2c1C	748439748	CMJAEBRFADZRDP-CMDGGOBGSA-N	418.474	5.251	30	20	HKED	
C#Cc1cncc(C(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C(C)C)c1	753012904	MAJZLABBLGXVEE-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccc(Cl)nc2)cc1	758571008	SGGLEXSBQLZRIR-XYOKQWHBSA-N	403.869	5.032	30	20	HKED	
COc1cc(F)cc(NN=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)c1	759210034	MHHPUXBUOPFXGF-UHFFFAOYSA-N	418.881	5.075	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Nc1cccc(OCC#N)c1	759492912	FPDZFNVLFOMCGE-MRXNPFEDSA-N	406.511	5.246	30	20	HKED	
Cc1ccc([C@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccc(F)cc2Cl)cc1	760452463	FZESHQLDBWCVJJ-DEOSSOPVSA-N	422.887	5.138	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1	760789707	KFNIIIYZLDYUBN-UHFFFAOYSA-N	416.408	5.306	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CCO2)c1	762295804	MLOOZZZJOXNHGC-LJQANCHMSA-N	408.910	5.154	30	20	HKED	
O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc(Br)ncc1F	762424669	IXGBYNSMHDVDKR-GQCTYLIASA-N	417.190	5.048	30	20	HKED	
N#Cc1cc(NC(=O)c2sccc2-c2ccc(F)cc2)c(Cl)c([N+](=O)[O-])c1	764304701	DLYVUGZSTOUUEH-UHFFFAOYSA-N	401.806	5.240	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NCc1ccc(O[C@H](C)C#N)cc1	766469506	RZPMIWWXLORXCM-QGZVFWFLSA-N	419.912	5.804	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1	772958978	JPGNPNPVPDPBCH-CABCVRRESA-N	411.958	6.086	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(F)cc2OCC(F)F)c(C)n1-c1ccc(C#N)cc1	773778144	DVBZZLJRIAGCFS-UHFFFAOYSA-N	413.399	5.001	30	20	HKED	
CCCN(C(=O)/C=C/c1ccccc1C#N)[C@H](c1cccnc1)c1ccc(F)c(C)c1	776965962	DUPNLOCBRNKTJO-PUHSMXRQSA-N	413.496	5.442	30	20	HKED	
C[C@@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc(C#N)c(F)c1	777668513	YKGBELXQQSCWHT-GOSISDBHSA-N	413.496	5.392	30	20	HKED	
C#CC[C@H](NCCCC(=O)Nc1c(C)cc(Br)cc1C)c1ccccc1	782052752	LSJPCVZCKDDCAN-FQEVSTJZSA-N	413.359	5.139	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1F	783082596	WMINIAUYXMXYET-UHFFFAOYSA-N	419.412	5.115	30	20	HKED	
COc1c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2ccccc12	788852932	KGNVBXQRAHFAIJ-OAQYLSRUSA-N	411.461	5.419	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C	789450676	FPCFXYILPBQQKJ-QZTJIDSGSA-N	415.578	5.306	30	20	HKED	
C[C@@H](Sc1nc2cccc(Br)c2s1)C(=O)Nc1ccccc1C#N	794513138	HEZVHEKGOMFBFW-SNVBAGLBSA-N	418.341	5.050	30	20	HKED	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1csc2ccccc12	796198202	IPRSBUSWIULYIB-OAHLLOKOSA-N	407.514	5.006	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2ccc(C#N)cc12	796776561	YBNAOBWJMYPTAS-SFHVURJKSA-N	424.510	5.567	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	799603275	GAAZTDPHBBKTMY-IBGZPJMESA-N	402.519	5.676	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Cl)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	810555183	BKVMEJSGRZDMSW-LLVKDONJSA-N	406.816	5.300	30	20	HKED	
C#C[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1ccc(Cl)cc1	811947276	ZEQDNSTXUUZTGU-LJQANCHMSA-N	417.983	5.078	30	20	HKED	
CC(=NNc1ccc(OCC(F)(F)F)cc1)c1oc2cc(C)ccc2c1CC(=O)O	814830748	RYOAYIHGCSQDLF-UHFFFAOYSA-N	420.387	5.146	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3ccccc3Br)no2)c1C#N	904962871	FWYKYYHQDHABFN-UHFFFAOYSA-N	413.300	5.032	30	20	HKED	
CCCCOc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cc1OCC	915355267	OXLICXNKERPODL-TWGQIWQCSA-N	409.404	5.280	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(Cl)ccc2OC(F)F)S1	915983677	RJIQZPIVCBRZPQ-OQLLNIDSSA-N	408.857	5.450	30	20	HKED	
Cc1cc2occ(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c2cc1C(C)C	916905040	IBBMQLJANPSJQJ-SFHVURJKSA-N	408.885	5.408	30	20	HKED	
N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	916942146	GSFFIELWYRYDPI-GOSISDBHSA-N	414.292	5.145	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	917043870	PRRLTXJBTYCCBF-KRWDZBQOSA-N	410.420	5.887	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(OCC(F)(F)F)cc1	920480295	DHYJOBRPMFBPTH-WTKPLQERSA-N	417.305	5.025	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831694805	LZNJHYXAXNOVFW-XWGVYQGASA-N	414.634	5.016	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1	7960519	WJBJSRSDFIOKGU-UHFFFAOYSA-N	420.962	5.255	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1	8126322	YLXUDKHOPMGABL-UHFFFAOYSA-N	407.813	5.359	30	20	HKED	
O/C(=N\c1nnc(SCc2ccc(F)cc2)s1)c1sccc1-n1cccc1	29644547	GAHSDDPNLNWXBT-UHFFFAOYSA-N	416.528	5.458	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OCC	32151374	VRGJYIYKCMMTSF-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1	46011654	NQRJDSVNPGCRIH-UHFFFAOYSA-N	407.445	5.200	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)c1	47698164	GTVVAOOQKDZLLK-GOSISDBHSA-N	402.494	5.005	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)o1	63981066	MXUFBGXBBWGRLH-UHFFFAOYSA-N	415.474	5.470	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	97453809	LBVQMFYUULLCCR-INIZCTEOSA-N	420.365	5.508	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N	117540005	ZEUPLBRAJYUMEC-UHFFFAOYSA-N	403.935	5.052	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1	140115996	RTCZYGCZBZKTGZ-OAHLLOKOSA-N	419.893	5.459	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	303675673	ZUAILQFIPGRWAG-RUZDIDTESA-N	412.489	5.123	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(CC(F)(F)F)cc2)c1	303808196	BKLFKIFWPKXZHS-UHFFFAOYSA-N	400.356	5.087	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)cc1	409944628	BBDIOCPNUQTFQY-VQTJNVASSA-N	415.320	5.039	30	20	HKED	
COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c(OC)c1	410381944	KOGLORQOKVDBSV-UHFFFAOYSA-N	404.491	5.287	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1	429972854	MVHPEQSNZCWFOX-UHFFFAOYSA-N	411.502	5.212	30	20	HKED	
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CCCC(=O)Nc1ccccc1C#N	432331501	NNMMGABIBJYHJI-LJQANCHMSA-N	403.526	5.057	30	20	HKED	
CN(C(=O)CN[C@H](CCCC#N)c1ccccc1)C(c1ccccc1)c1ccccc1	433015340	WQXFZCHQOXNSQV-RUZDIDTESA-N	411.549	5.259	30	20	HKED	
Cc1ccsc1-c1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)o1	434650858	SEWPCJCDLXYWGV-UHFFFAOYSA-N	417.559	6.099	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2CC(F)(F)F)CC1	438624550	GSLUIFOVZKMGCB-UHFFFAOYSA-N	417.431	5.175	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1	439388522	PCSJZFJPSYWOTB-INIZCTEOSA-N	407.461	5.816	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1	439655056	YUTFEHHZSOQJKL-UHFFFAOYSA-N	414.383	5.477	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](CCC#N)c1ccccc1	439667927	MCYPISZASYIESA-LJQANCHMSA-N	421.497	5.223	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCC3CCC(C#N)CC3)s2)cc1	441007075	CVKKCAVTETYBHW-VIQWUECVSA-N	410.587	5.459	30	20	HKED	
COc1cccc(C(=O)c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)c1	444012118	UZSMQUZJMSOEHU-UHFFFAOYSA-N	416.502	5.184	30	20	HKED	
N#C[C@H]1N(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCC[C@]12CCCCO2	448275089	GOKBUROVAAQSDG-ISKFKSNPSA-N	423.944	5.020	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Cl)cc3OC(F)F)CC2)cc1	460241392	HOFUGYRSPAWBET-UHFFFAOYSA-N	403.816	5.134	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	463590845	FJZZIAFOVWVOOJ-XJKCOSOUSA-N	405.313	5.156	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1	463608243	UUTUEUURYZWOEB-UHFFFAOYSA-N	409.486	5.054	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnnc(-c2ccccc2)c1	463710058	GGRKGYPVBSMTNU-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2ccccc2c1Br)c1ccc(Cl)cc1	464409428	XQIQQBRGTNMGMM-CYBMUJFWSA-N	405.704	5.312	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2cccnc2)c1	467343519	YWGFSHHMADNICZ-QGZVFWFLSA-N	402.523	5.465	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCOc4cc(Cl)ccc43)ccc21	469036149	POESJGGSXGHMMN-HXUWFJFHSA-N	409.917	5.249	30	20	HKED	
N#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)cn1	471357349	OFEPMBXBCSGXMZ-UHFFFAOYSA-N	404.882	5.063	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CC(N3CCCCC3)C2)cc1Cl	475360842	CGHSQHACMATDBX-QETWGEEDSA-N	422.960	5.134	30	20	HKED	
COC[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	476340794	WYWPXHYWDFOLGA-SFHVURJKSA-N	413.688	5.098	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H]2CCc3ccccc3C2)cc1	480180093	PPJWDNFJTYEDBQ-NRFANRHFSA-N	410.517	5.465	30	20	HKED	
CCN(C(=O)Nc1ccn(CCC#N)n1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1	480761370	SILCYJYNMQWTSG-GOSISDBHSA-N	417.513	5.087	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(-c2cccs2)on1	481341066	OWWYIUDSMGLJPZ-UHFFFAOYSA-N	424.551	5.360	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc(NC(=O)N2CCCCCC2)cc1	481988485	CFFOPEDLKWJYEU-DEOSSOPVSA-N	402.542	5.846	30	20	HKED	
COc1ccc([C@@H](NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)cc1	482147984	FMXCNKQMZNIQRD-HUUCEWRRSA-N	424.316	5.041	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC(C)C)cc1Cl	482371014	SLQFIVRLEBFCGM-UHFFFAOYSA-N	404.942	5.515	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N(CCC)Cc2ccc(C#N)cc2)c1	486867651	HPFHYAGKCNBTAV-UHFFFAOYSA-N	412.921	5.394	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1	488382601	CXMQJGCHNAHADQ-DEOSSOPVSA-N	419.546	5.349	30	20	HKED	
O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)Nc1cc(F)c(OC(F)F)cc1F	491247983	RZERLLSTBUWCHG-BDAKNGLRSA-N	402.310	5.056	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCS1	494766323	ZEUCSKHALZRYHW-HNNXBMFYSA-N	415.946	5.150	30	20	HKED	
CN(Cc1ccc(Cl)s1)C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1	499491505	OMYAIUOOFQXYDZ-UHFFFAOYSA-N	404.866	5.043	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	501021276	VXDBFLFMLRISIS-PMACEKPBSA-N	410.395	5.507	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	502618990	BWNIJRBYNRBIGR-UHFFFAOYSA-N	417.465	5.328	30	20	HKED	
COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)NCCCCC#N)cc2c1	505061514	HVQQSYYSXIESNR-UHFFFAOYSA-N	424.504	5.125	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)ccc1OC1CCCC1	505948952	QTRDUNXGTCKSCH-SFHVURJKSA-N	418.415	5.030	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C(F)(F)F)cc1	506681745	LQKRAHURVPJVAA-SCLBCKFNSA-N	423.460	5.372	30	20	HKED	
CCOc1cc(Br)c(NC(=O)c2cc(C#N)ccc2Cl)cc1OCC	506775918	LPIURUGUQLGLAG-UHFFFAOYSA-N	423.694	5.024	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)c2cccs2)cc1	507383856	RUNQHAOQCDSJAO-UZUQRXQVSA-N	424.591	5.342	30	20	HKED	
C=CCn1c(C(C)C)nnc1N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1	508857289	OEFCJHKKDPPYMC-KRWDZBQOSA-N	423.586	5.104	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510172763	NQYJFNUBKKHMHZ-AWEZNQCLSA-N	423.925	5.402	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)SCc1csc(COc2ccc(C)cc2)n1	511020786	ZWIXLWBSQACXGY-QGZVFWFLSA-N	404.601	5.077	30	20	HKED	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1	511349220	CTBNJKHNFFZIDT-UHFFFAOYSA-N	415.802	5.853	30	20	HKED	
CC[C@H]1C[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	514221706	FYBMVJAZVQHJTI-HIFRSBDPSA-N	400.466	5.245	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1	517795633	ITKZQMQZISPRCB-FQEVSTJZSA-N	421.378	5.041	30	20	HKED	
CC[S@](=O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	518323198	UMTGUNUBTGONLA-LJAQVGFWSA-N	424.909	5.384	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1	518758908	MXKONMCLQNOFHF-SBUREZEXSA-N	421.591	5.460	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(OC3CCCC3)c2)cc1	521762182	CBBSZHRSKPBMMD-UHFFFAOYSA-N	402.416	5.084	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)cs1	522481310	HZGQTKGOYLPBKS-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccc(F)cc1	525004088	VMNCQGNMPDWWQS-OAHLLOKOSA-N	421.501	5.097	30	20	HKED	
N#CCC[C@H](NCc1cnc(-c2ccc(Br)cc2)s1)c1ccccc1	532785718	ZHXRPJLPNLCZEQ-IBGZPJMESA-N	412.356	5.707	30	20	HKED	
CC(C)c1cc(Br)ccc1NCC(=O)Nc1ccccc1SCC#N	534057902	YYGNHYJRFIUXJX-UHFFFAOYSA-N	418.360	5.239	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cnc([C@H]3CCCO3)s2)c1	534815511	LWKPRSRHEVSKEF-LJQANCHMSA-N	423.925	5.367	30	20	HKED	
Cc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2C)cc1	538536422	ZIWVEWRWIGSMHV-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)cc2)o1	540858620	SMYWPBVEEGXJLX-UHFFFAOYSA-N	410.433	5.215	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cncnc3-c3ccccc3)c2)cc1	542163174	IUHGWWLVBNIBSQ-UHFFFAOYSA-N	420.472	5.041	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F	546112145	JREXNROEJSGSIT-HXUWFJFHSA-N	403.448	5.042	30	20	HKED	
COc1ccc(Br)c(NC(=O)c2sc3ccc(C#N)cc3c2C)c1	550359645	YYSPMYJOHHSAGP-UHFFFAOYSA-N	401.285	5.105	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](CCCC#N)c1ccccc1	550828037	VKMPEQWPZALWJG-QFBILLFUSA-N	403.448	5.447	30	20	HKED	
CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@H](CCCC#N)c1ccccc1	552083585	NPOQMRFHFILOIO-XMMPIXPASA-N	400.570	5.754	30	20	HKED	
N#Cc1cccc(-c2cc(-c3nc(Cc4nc5cc(Cl)ccc5s4)no3)on2)c1	573245407	CTEZBRKBUYPCRX-UHFFFAOYSA-N	419.853	5.117	30	20	HKED	
Cc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(Cl)cc1	576859798	JXUXGVYCDBJROB-UHFFFAOYSA-N	409.877	5.161	30	20	HKED	
C[C@H]1CC(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H](C)O1	580965006	RDWYZSWFPACWPY-OALUTQOASA-N	421.541	5.047	30	20	HKED	
N#CCCCCCC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	588156020	QOTZMVFKXYGJTC-UHFFFAOYSA-N	423.900	5.987	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Nc1ccccc1Cc1ccccc1	603646126	PIVLOUXNYNSKIM-UHFFFAOYSA-N	401.535	5.204	30	20	HKED	
CSCc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)oc2ccccc12	603846338	QDPFSJVNDUDYGA-CYBMUJFWSA-N	412.923	6.049	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc4ccccc4s3)cn2)cc1	604443905	ARNCPEFTMTYABW-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-]	604566644	QHMJDQOAAXSKEO-GOSISDBHSA-N	421.840	5.165	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(NC(C)=O)ccc1Cl	606770090	KDQXKPAQVGFNFS-UHFFFAOYSA-N	412.795	5.134	30	20	HKED	
CCc1cccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609061935	LCNMKYPXTRRXKB-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	609081221	WLIHCKVQDBPQPO-LLVKDONJSA-N	413.346	5.403	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1	609206790	DUBXPENLWZAADE-UHFFFAOYSA-N	420.538	5.469	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)CC1	609207282	ZBVKBUKNMALMTD-UHFFFAOYSA-N	408.260	5.692	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(C2CCCCC2)n1	609236660	TVVSJRBCZWSDOC-UHFFFAOYSA-N	405.976	5.588	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NCc1ccc(C#N)cc1F	609253893	ATBYBMAIMGJWRW-UHFFFAOYSA-N	423.875	5.560	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1	609315923	RAKRAFMQROVOTB-ZFWWWQNUSA-N	424.957	5.321	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)n1	609427489	DQLJALODXCEXHY-GOSISDBHSA-N	404.539	5.195	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](c4ccco4)C3)cc2Cl)cc1	609553885	KXAGLULUJZABDL-MRXNPFEDSA-N	407.857	5.618	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl	609639248	TWPSUUBLDXVNIF-XLIONFOSSA-N	419.916	5.130	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1	609725152	JJRWRZOPHTVIIL-UHFFFAOYSA-N	407.882	5.752	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCS[C@H](c4ccccc4)C3)cc2)c1	609810794	COYIJVXLCNDVJF-QHCPKHFHSA-N	415.518	5.673	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1OC1CCC1	609818821	OLQQOQLZPYKXIJ-UHFFFAOYSA-N	414.530	5.571	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1-c1ccc(Cl)cc1	610090836	KVVPIYOANJRJNR-KRWDZBQOSA-N	403.913	5.781	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1	610171500	MTLUAPIDTSGSND-YADHBBJMSA-N	420.434	5.308	30	20	HKED	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	610321666	RJEKJIJBKRYSOX-RSXGOPAZSA-N	411.505	5.183	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1cccc(C#N)c1	610352699	LPYUIAQXZIWHOU-GOSISDBHSA-N	411.505	5.111	30	20	HKED	
Cc1ccncc1[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	611301622	HIDZFJWMACFNLV-JXFKEZNVSA-N	404.901	5.582	30	20	HKED	
CC(C)c1c(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cnn1-c1ccc(Cl)cc1	618767172	AIOMQDLFGPILPS-HXUWFJFHSA-N	419.916	5.330	30	20	HKED	
Cc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1CC(F)(F)F	622721942	MYAFSDNHJMZOGI-UHFFFAOYSA-N	419.247	5.044	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2ccc(COC(C)(C)C)cc2)cc(OC)c1OC	674575800	SNCLFDIJEWNMAQ-UHFFFAOYSA-N	412.530	5.069	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	681591941	YFCSKKVJAUWPCC-ITGUQSILSA-N	411.411	5.604	30	20	HKED	
C=CCn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1ccc(OC)cc1	685006919	IAVGMSQQVFNLDO-UHFFFAOYSA-N	411.502	5.034	30	20	HKED	
Cc1ccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c2c1	726321918	PAIXHCBCUVEEEE-SFHVURJKSA-N	405.910	5.672	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1NC(C)=O	726427890	AIKYMPJOCKZFME-NTMALXAHSA-N	411.910	5.932	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)C2CCCCC2)cc1Cl	726446328	YNCHCPGVHCFYFN-UHFFFAOYSA-N	401.938	5.882	30	20	HKED	
CCN(C(=S)N[C@H](C)c1ccc(Cl)cc1Cl)[C@H](C)c1ccc(C#N)cc1	726480923	OKCYDNBFHJZMOK-ZIAGYGMSSA-N	406.382	5.884	30	20	HKED	
COc1ccc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc1OCCCC#N	727781700	VPOHSYYAXQZYCF-ZRDIBKRKSA-N	418.518	5.706	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OCC(C)C)cc3)n2)cc1	730396469	QKEBEEFXBBJPPU-OAQYLSRUSA-N	404.535	5.572	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)Nc1ccccc1SC[C@H](C)C#N)O[C@H](C)C2	730989199	IQLFYGPWZNKIIO-CZDHMLMNSA-N	422.550	5.312	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1	732592747	BRXCYEPZKPBDPS-BHIFYINESA-N	424.525	5.855	30	20	HKED	
N#C[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1	733258772	KYKJQUOVPQIBRF-CQSZACIVSA-N	404.080	5.060	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1nc(-c2c(F)cccc2F)cs1	734966214	VMDDGSBNTKTZCW-GRYCIOLGSA-N	416.399	5.346	30	20	HKED	
COC(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cccc(Cl)c1	735508089	UGIULKPLAQZSGL-JOCHJYFZSA-N	406.869	5.117	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)ccc1OC	741851597	AZYVEXHICPMVNQ-FWVUHSSSSA-N	415.493	5.134	30	20	HKED	
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C12CCCC2	743094851	CTFUTOLGIZJIIZ-DNVJHFABSA-N	403.526	5.201	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)cc1	744028207	IEMPMNMOOWPECR-VUVZNRFTSA-N	400.400	5.019	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1nc2cc(C(F)(F)F)ccc2s1	744038605	WXHGQILQEYQRRK-RWMBFGLXSA-N	422.378	5.573	30	20	HKED	
C[C@H](Oc1cccc(C(=O)/C=C\c2c(OC(F)F)ccc3ccccc23)c1)C(=O)O	745020498	FZWIPFWJCGWXOT-BMSUMIBZSA-N	412.388	5.189	30	20	HKED	
CCn1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc21	748489274	CBKFPAPYIVXIQZ-HXUWFJFHSA-N	410.502	5.075	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H](C)Sc3ccnc4cc(Cl)ccc34)[nH]c12	750713769	SMFKTHKOWUUGPO-CJNGLKHVSA-N	420.925	5.430	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	752183731	GYAQTPTXBVVHNA-MAODMQOUSA-N	405.523	5.037	30	20	HKED	
CN(C)C(=O)Sc1ccc(CNc2ccccc2Oc2ncccc2C#N)cc1	753121954	HRNSBUZLPTZPHY-UHFFFAOYSA-N	404.495	5.131	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CSCc1ccc(C#N)cc1	754220665	SUQMDHPJYHYMJS-UHFFFAOYSA-N	411.527	5.086	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	754718341	AUCVAPDJVFNSMA-ZCFIWIBFSA-N	406.763	5.026	30	20	HKED	
C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1	758906957	FVRLHXXPBYDQOP-KRWDZBQOSA-N	424.497	5.370	30	20	HKED	
C#CCOc1ccccc1-c1noc(COc2ccc(C3SCCCS3)cc2)n1	761992402	SBQYOWNMFUIYCH-UHFFFAOYSA-N	424.547	5.196	30	20	HKED	
CC[C@H](C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1cccc(C(F)(F)F)c1	764300788	DDRPXEUIQUGIRV-ZDUSSCGKSA-N	411.767	5.271	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@H](CC(F)(F)F)C2)c1=S	766123292	ZEALALWAUFLKKW-ZDUSSCGKSA-N	416.900	5.152	30	20	HKED	
O=C(/C(=C\c1cncc(Br)c1)c1nc2ccccc2s1)c1ccccc1	767340773	GDBXGGCRHWMVLZ-GZTJUZNOSA-N	421.319	5.877	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1cccc(NC(=O)c2ccccc2Cl)c1	767372479	BNZAFKTYWUWRSQ-UHFFFAOYSA-N	402.885	5.387	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3c(Cl)cc(Br)cc32)c1	772983809	MBXBPRRJFUIALS-FOIQADDNSA-N	419.750	5.561	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2sc(C(C)(C)C)nc2C)ccc1OC	772983938	AWNJAPHDIAZWAD-WMLDXEAASA-N	401.576	5.289	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccccc3C)nc2C)c1	773824767	UCPIMAOVBFQEKH-GOSISDBHSA-N	405.523	5.038	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)C(=O)c3ccc(Cl)cc3)n2)cc1	777304994	UFZTZUYSJSMDFZ-HNAYVOBHSA-N	422.937	5.857	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(OC)c(C(C)C)c(OC)c2)cc1	781449800	VTPAFHPWBYEFKO-HXUWFJFHSA-N	422.525	5.131	30	20	HKED	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)OCCCC(C)(C)C#N	781913914	BYPBHVYRUIVHSO-UHFFFAOYSA-N	403.482	5.035	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccco3)s2)COC/C1=C/c1cnc(-c2ccco2)s1	789144670	WQDKVEJWPVKQQD-PVRNWPCDSA-N	422.487	5.186	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)ccc1NC(=O)OC(C)(C)C	792095778	MFNQJPRDNRYPGU-IBGZPJMESA-N	401.466	5.380	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCC4(CCOCC4)CC3)nn2)c1	794980533	CYFDIUZFPSDWQR-UHFFFAOYSA-N	404.436	5.301	30	20	HKED	
N#CCOc1ccc(CN[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1	796472788	XKKIQNCVKCPPQR-SFHVURJKSA-N	408.716	5.271	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(F)cc2OCCC(F)(F)F)cc1Cl	799912197	RUAMFZXNCDWDQX-UHFFFAOYSA-N	417.815	5.491	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1	800506758	YVYSCOHNXSTGLS-CVDCTZTESA-N	408.929	5.072	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813212138	YCPLFWQZXLMGEF-GOSISDBHSA-N	402.416	5.282	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1	916849433	UQZXSLWBXIMIBI-SFHVURJKSA-N	413.546	6.070	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	917119833	YADMZZRDHDAJPU-HXOBKFHXSA-N	402.519	5.470	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ncc(Cc2cccc(OC)c2)s1	918028638	BIVOIGRDTPSGFK-UHFFFAOYSA-N	411.502	5.102	30	20	HKED	
N#C[C@@H](C(=O)Cc1cc2ccccc2o1)c1nc2cc(C(F)(F)F)ccc2s1	920112831	KZTJRCCWDDXRLT-AWEZNQCLSA-N	400.381	5.480	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc2cc(Cl)ccc2s1	920112992	NZKUDFMTWKYODH-MRXNPFEDSA-N	414.889	5.013	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(Cl)c1Cl	920803907	GLJHBMSLTBOSMX-MRVPVSSYSA-N	412.248	5.224	30	20	HKED	
N#Cc1ccc(CN(CCc2ccccc2Cl)c2ccc3nc(O)[nH]c3c2)cc1	1307546213	MGYYKBDZNAMAJA-UHFFFAOYSA-N	402.885	5.043	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1	1785965046	PJKBRTJDTCJHJO-UHFFFAOYSA-N	419.525	5.068	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccco3)CCC2)cc1	1789457954	IEBBRTIRPUGSJR-CVDCTZTESA-N	420.553	5.361	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)nc3C)cc2)CCC1	1789918629	AMHNCIGBRILNMX-FQEVSTJZSA-N	421.516	5.045	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccc(Cl)cc1	8205087	AEKAUICHVDIBRL-UHFFFAOYSA-N	408.914	5.732	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1C	10847916	PFLILGCFDUFNFM-UHFFFAOYSA-N	409.486	5.137	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)nc(C)n1	49407508	SMAJSJUPRWLBRW-HNNXBMFYSA-N	412.312	5.075	30	20	HKED	
C=C(C)COc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OC	60822210	ROWKJUSZNVETHQ-WUXMJOGZSA-N	408.498	5.076	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)c1cccc(C#N)c1	63326985	NMWKCUVFUKMFIO-UHFFFAOYSA-N	421.456	5.814	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)no1	64330698	LKPPTOPIWJAKKJ-UHFFFAOYSA-N	412.474	5.320	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(COCCc3ccccc3)c2)cc1	65093254	WENJCYWYHLAKIB-UHFFFAOYSA-N	416.546	5.189	30	20	HKED	
O=C(Nc1cccc(/C=C2/CCOc3ccc(F)cc3C2=O)c1)c1ccccc1Cl	206488525	JHFAANKNTLXMFD-VBKFSLOCSA-N	421.855	5.780	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2c(F)cccc2F)C2CCCC2)cc1	303199960	HHIVGFWMCWVHSM-UHFFFAOYSA-N	400.494	5.041	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1	431322439	WYZSOHZYYQDNAP-FFZOFVMBSA-N	402.325	5.584	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl	431899287	CJHZTGWQWXNULG-AETJXOCKSA-N	423.944	5.010	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3noc(-c4ccc(F)cc4F)n3)c2)cc1	435893431	MCXLCWSXLYAECV-UHFFFAOYSA-N	404.376	5.291	30	20	HKED	
Cc1nc(-c2cc([C@@H](C)NC3CCC(Oc4ncccc4C#N)CC3)cs2)cs1	437099161	PVVOWUVWXVMCTG-FTXHTYHOSA-N	424.595	5.488	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1C[C@H]1Cc1ccccc1	437980445	USEMMLRKXQRBMV-RCZVLFRGSA-N	411.505	5.198	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1C(F)(F)F	438639158	VAAJNDZBFCJBRB-INIZCTEOSA-N	416.428	5.556	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C)cs1	438668861	GOMPZOPWWLDBGK-QGZVFWFLSA-N	410.474	5.527	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)s1	442077008	JISJJBGQBFJGGV-NSHDSACASA-N	412.437	5.009	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	442693774	PXNGHOUSBIHVGJ-FZMZJTMJSA-N	417.943	5.508	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c12	443874330	BBLVHTCPJVANAF-UHFFFAOYSA-N	422.366	5.341	30	20	HKED	
Cc1nc(CC(C)C)c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	446800953	ZRVMKVYUZPIKEL-LBPRGKRZSA-N	417.506	5.542	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)n1	447381373	GUVJPDBSQBMBNL-XLIONFOSSA-N	403.551	5.631	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)n(-c2ccccc2)n1	462034141	YVUHBWUTTOMGSB-GOSISDBHSA-N	422.488	5.162	30	20	HKED	
N#CCCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1	463254849	AMTZVDPHLRZRDJ-MRXNPFEDSA-N	423.460	5.035	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cc(Cl)cc4cccnc34)ccc21	468992453	LXSDFZJMNSAQIR-UHFFFAOYSA-N	404.901	5.083	30	20	HKED	
CC(C)c1nccn1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	469006125	PHSHDSXQPZAPLF-UHFFFAOYSA-N	422.916	5.139	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c(F)c1	470135157	VQPPZDHMZYOVQL-UHFFFAOYSA-N	420.202	5.583	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1	470472503	FPRGYHLCJCIXGW-QGZVFWFLSA-N	417.475	5.691	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1	471273785	RJXYWUHWPGJFJO-UHFFFAOYSA-N	414.571	5.010	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	475567486	XMYRPOFMQJQDRZ-OAQYLSRUSA-N	405.586	5.667	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2nc(-c3ccccc3)oc2c1	476202831	NCWWIYGHNOFEOC-JTHBVZDNSA-N	407.473	5.407	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1	476601934	LJNADRFFSJIJHT-KDOFPFPSSA-N	414.349	5.513	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(C#N)c1	485366676	GHSOYUDNWAOEKR-UHFFFAOYSA-N	400.265	5.896	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OC2CCCC2)c1	485519200	LACZTEDFYHDHSD-INIZCTEOSA-N	410.539	5.521	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1	486868816	LKXSVUWQEYBQOU-NQIIRXRSSA-N	424.932	5.382	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1C	487313337	KQOOYSWKNWICPV-QFIPXVFZSA-N	418.566	5.133	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1cccc2ccccc12	488769822	RWXCEIDPTGGXNY-GFCCVEGCSA-N	401.413	5.245	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	497497782	XHOSIPFANKHRRY-UHFFFAOYSA-N	402.306	5.261	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1	500299497	TXOZFDQUROPWEA-NHCUHLMSSA-N	411.343	5.109	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2Cc2ccccc2)cc1	502676723	CWGZAGYZRPXNAT-UHFFFAOYSA-N	400.482	5.229	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1	505010393	GJSUUQLODUWEMA-UHFFFAOYSA-N	416.443	5.349	30	20	HKED	
Cc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)n1C1CCCCC1	505161439	YOUGQVAPNNZINC-UHFFFAOYSA-N	405.542	5.165	30	20	HKED	
CCN(CC)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cn1	506274049	VGGCCUUHYGEPCO-UHFFFAOYSA-N	402.523	5.203	30	20	HKED	
N#CC1(CCCSCc2cc(Br)ccc2OC(F)F)CCOCC1	507700500	XRFLKJGPFRNHEG-UHFFFAOYSA-N	420.319	5.384	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C)cc1	507839789	YWHBSOMSRPZMGQ-KRWDZBQOSA-N	401.466	5.107	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(c2ccsc2)CC1	509000893	LEHALFAIQZUYQY-UHFFFAOYSA-N	401.539	5.125	30	20	HKED	
O=C(Nc1cccc(CC(F)(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510031600	XBIQOIGEPLNVSZ-OAHLLOKOSA-N	408.317	5.746	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1[nH]c2ccccc2c1Cl	510257675	NLDNAEQFDGIXDI-UHFFFAOYSA-N	401.853	6.046	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl	512548264	ZXKYUWKJFZOLMC-HNNXBMFYSA-N	409.361	5.176	30	20	HKED	
CCc1cc(=O)c2cc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)ccc2[nH]1	512573127	PAXFXTKYCOVGLT-UHFFFAOYSA-N	423.472	5.315	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	512958256	DTYAKLGRSOXFKO-MRXNPFEDSA-N	402.504	5.127	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1c(F)cccc1F	513205191	ZXUOIDJOGQMFIP-INIZCTEOSA-N	421.447	6.162	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1	513283754	GCQYQCBGGSHCHB-UHFFFAOYSA-N	413.477	5.128	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1	513984219	ZXDAOVPZIATCPP-UHFFFAOYSA-N	422.916	5.694	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1	514514414	LTRVQJQTTPUXTA-MRXNPFEDSA-N	404.539	5.509	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Br)cc1F	515684018	VCZSIDRHMSFSSP-UHFFFAOYSA-N	401.260	5.441	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c2cccnc12	518652981	OTBBWGYEEOWMPO-CQSZACIVSA-N	411.914	5.300	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccc(Cl)s2)on1)c1cccc(C(F)(F)F)c1	518849285	YTCGHTNKZBKEAJ-LBPRGKRZSA-N	411.792	5.070	30	20	HKED	
CC(C)CCOC1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1	520704611	USAVBYHBJDSYIG-UHFFFAOYSA-N	410.489	5.157	30	20	HKED	
CCc1ccc2occ(C(=O)Nc3c(C#N)c(SC)nn3-c3ccccc3)c2c1	521936669	YCLSJQUBMBUXQT-UHFFFAOYSA-N	402.479	5.027	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	522375952	PQUQGUAXWFPNEG-UHFFFAOYSA-N	417.412	5.184	30	20	HKED	
CCOCCOCc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	523161478	KHNQXBHZJTYFJM-UHFFFAOYSA-N	415.493	5.107	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ncoc3-c3ccccc3Cl)s2)cc1	525235726	ZNADBTKJZLPSKJ-UHFFFAOYSA-N	420.881	5.166	30	20	HKED	
Cc1cccc2c(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c[nH]c12	525455337	RDYKPFMXQDLAKD-QFIPXVFZSA-N	413.908	5.966	30	20	HKED	
CC(C)(C)[S@@](=O)Cc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1	532898089	DFFCVOSILIGDPY-PMERELPUSA-N	420.582	5.123	30	20	HKED	
COc1ccc(CNc2cc(C(F)(F)F)ccc2N(C)C)cc1OCCCC#N	533464020	ROXVRAKKPPPKJE-UHFFFAOYSA-N	407.436	5.075	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)ccc1NC(=O)c1cccs1	535444315	YTINJXJJUVYFFR-UHFFFAOYSA-N	419.506	5.220	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	537219148	IEKBZEBNCVWCDR-QGZVFWFLSA-N	400.366	5.900	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)CCC3)cc1	538507982	PNTICPYIUMWBOL-XOBRGWDASA-N	407.514	5.558	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)NCc2cccc(C#N)c2)c1	541335932	GEFBSAQHNHQIEF-LOSJGSFVSA-N	411.505	5.007	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1Cc2ccccc2OC[C@H]1C	542925037	OHJJMOUXLZCXGR-GOSISDBHSA-N	413.477	5.474	30	20	HKED	
CC(=O)c1ccc(C#N)cc1N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1	543434810	MZNWULWORSAXEI-LJQANCHMSA-N	406.530	5.041	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1csc(-c2ccncc2)n1	549727782	GGLPYLYAQKEVGK-UHFFFAOYSA-N	405.401	5.041	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(F)(c2ccccn2)CC1	551999466	HSXQYGYWCLANAL-UHFFFAOYSA-N	420.328	5.220	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N(CCC#N)c3ccc(F)cc3)ccc21	565444719	QNMGSQMCEKWASX-UHFFFAOYSA-N	418.394	5.336	30	20	HKED	
Cc1c(C(=O)Nc2cc(C#N)ccc2NC2CC2)sc2nc(C(F)(F)F)ccc12	571390696	RDHSAPZJGUKYGG-UHFFFAOYSA-N	416.428	5.322	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(C#N)c(F)c3)s2)cc1	577665757	DQLANGSQUKBKJR-ZDUSSCGKSA-N	410.474	5.021	30	20	HKED	
CCc1c(NC(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1ccc(C(F)(F)F)cc1	578698599	XTCWWNIXMHBVBV-UHFFFAOYSA-N	418.806	5.231	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1	588996140	YKUDMCWBCXFKRY-KBXCAEBGSA-N	403.935	5.243	30	20	HKED	
COc1ccccc1CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1	603468660	XVYGYEVYZCHMLO-UHFFFAOYSA-N	402.519	5.131	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1cccc(Cl)c1	604009549	PICHIBIHLLDXCH-HSZRJFAPSA-N	421.953	5.273	30	20	HKED	
COc1cccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	604085409	FMRLZBFLTUJBMY-SFHVURJKSA-N	415.493	5.223	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)n2)cc1	604511531	KIEQAHBWWMZZAE-SJORKVTESA-N	424.323	5.186	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1	608918940	VXCJGIDCVSAYST-NRFANRHFSA-N	418.585	5.053	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1	609020149	LKCBZNWIARZTGW-UHFFFAOYSA-N	424.460	5.776	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2ccccc2)no1	609060935	HOAWLYFXLNJIDR-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2ccccc2n1CC#N	609173367	UDPDPMHOBPLKRX-UHFFFAOYSA-N	420.472	5.176	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1Cc2ccccc2-c2ccccc21	609385367	XBQXBDMERHKUTA-GOSISDBHSA-N	413.546	5.564	30	20	HKED	
Cc1nc2ccccc2nc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N	609387439	CWNACRIAHOPOSP-OAHLLOKOSA-N	422.579	5.062	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609496984	SALKKJIPGKQAOE-UHFFFAOYSA-N	411.505	5.706	30	20	HKED	
COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609497762	HZVMNZSAEJJANG-KRWDZBQOSA-N	416.477	5.053	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-n3ccnc3)c2)cc1Cl	609784171	URYOPKRTDWMAOX-QFIPXVFZSA-N	412.880	5.433	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)c1ccc(C#N)cc1	609813719	IRXRQFYHEFUVAN-MOPGFXCFSA-N	410.546	6.279	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1	610171661	ZYKXLTXYYDVXKG-SFHVURJKSA-N	405.542	5.085	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1F	610224692	HIIPLIWGGDJRLR-UHFFFAOYSA-N	421.497	5.663	30	20	HKED	
COc1cc(C[S@](=O)CCC2CCCCC2)ccc1OCc1cccc(C#N)c1	610284984	BZGZVRADAYOHOL-GDLZYMKVSA-N	411.567	5.365	30	20	HKED	
C[C@H](NC(=O)CCCSc1ccc(Br)cc1)c1cccc(C#N)c1	610362876	BJODNVZHSOJFIE-AWEZNQCLSA-N	403.345	5.070	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612804337	JBOKNUDVCWDPRE-MUYACECFSA-N	414.365	5.438	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(Cl)ccc2o1)c1nc2cc(C(F)(F)F)ccc2s1	613404990	SBGGCZIPMGOXMU-GFCCVEGCSA-N	420.799	6.205	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(OCC(F)(F)F)c1	622477703	IBFQPEHDGFVMIG-OAHLLOKOSA-N	409.301	5.190	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	673812132	RLNADFRLWRFTHA-QMMMGPOBSA-N	401.316	5.039	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c[nH]c2cc(C)ccc12	726149027	VPYIYSBYDXWOPO-UHFFFAOYSA-N	415.306	5.135	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)cc1F	726801312	GQPHRNFJSXJYKY-UNOMPAQXSA-N	412.511	5.223	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1ccccc1C(F)(F)F	728061412	SDTVLDIWWLIPJO-SFHVURJKSA-N	407.823	5.006	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=S)Nc3cccc(Br)c3)c2)cc1	729160636	ZDOVFFOTWMXBSM-UHFFFAOYSA-N	424.323	5.922	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(C)ccc2c1Cl	729189122	WKCIBISFQBJARA-AWEZNQCLSA-N	412.898	5.223	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1	730492927	CSHJFULJBVSLQO-UHFFFAOYSA-N	402.441	5.282	30	20	HKED	
COc1ccccc1C[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	730692027	RKLPKDUQRVYBIA-OXJNMPFZSA-N	415.518	5.136	30	20	HKED	
CC[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)CC(C)C	732214497	HLHWTZDDLDXQMY-FYYLOGMGSA-N	412.537	5.333	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)C)c2cccs2)ccc1OC	733646463	LWDOBYKEOYWVBL-MSOLQXFVSA-N	415.559	5.024	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c1	733771239	LILYCRNXQWLZSR-IBGZPJMESA-N	422.431	5.368	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cccc(C)c2C)cs1)c1ccc(F)cc1F	734305668	ZQGOVNFMDLCJGO-CSKARUKUSA-N	412.461	5.619	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(OCC(F)(F)F)c(OC)c3)c2c1	734306133	AOVXCGASMHBXPZ-XVNBXDOJSA-N	405.372	5.022	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccncc1	734669502	QLUBFCKIVOGHIZ-UKILVPOCSA-N	413.521	5.113	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)c1ccccc1SCC#N	734738414	GVPDIGNQRFPBDR-AWEZNQCLSA-N	412.511	5.791	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cnccn2)ccc1OCc1c(F)cccc1Cl	734752858	KNXQPCOSDRPHEC-SOFGYWHQSA-N	412.848	5.143	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1nc2ccccc2s1	735976504	MTSFUEOLRIHDTB-UHFFFAOYSA-N	414.416	5.003	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1cc(C)c(Cl)cc1OC)c1ccc(C)cc1	739156495	YECUXHAVBUMZHV-SJLPKXTDSA-N	412.917	5.197	30	20	HKED	
CS[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	740530907	GEEVHTDMTGCGKV-SUMWQHHRSA-N	406.454	5.596	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cc(C)c(F)c(C)c1	741460165	JLQFCGXUHUMLRK-UHFFFAOYSA-N	403.383	5.149	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C2(Cc3cccc(Cl)c3)CCCC2)c1	741564633	ISXCYUDIBUKLNM-NRFANRHFSA-N	410.945	5.440	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C\c1cn(-c3ccccc3)nc1-c1cccnc1)C2=O	742437502	OAYVQXQHEGCZCR-XSFVSMFZSA-N	402.457	5.018	30	20	HKED	
N#Cc1cccc(COc2cccc([C@@H]3NC(=O)c4sc5ccccc5c4N3)c2)c1	742444560	ZSYJPVDQGLCBRL-QHCPKHFHSA-N	411.486	5.206	30	20	HKED	
CS[C@H]1CC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	743139323	IZCFPYGNEMPYQG-AEFFLSMTSA-N	415.946	5.196	30	20	HKED	
O=C(/C=C\c1ccc(OCc2cccc(F)c2)cc1)c1cccc(N2CCOC2=O)c1	745625890	FZRMSXHRNYDUMZ-XFXZXTDPSA-N	417.436	5.257	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2cccc(C)c2C)ccc1OC	745819987	QUXYCJSWLLNPSD-UNMCSNQZSA-N	421.541	5.040	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C	747109839	IBGFPYDGWFNQOK-NRFANRHFSA-N	415.518	5.334	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c1	747498132	CZJUESJAAKJULL-CSODHUTKSA-N	413.949	5.355	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3ccc(F)cc3C2=O)cs1	749005551	LMJXLIPVFWIHFS-NTEUORMPSA-N	412.873	5.443	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cccc(C(C)C)c1	749102360	LQXYTBOWZBCVLZ-UHFFFAOYSA-N	421.379	6.097	30	20	HKED	
N#CCSc1ccccc1C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1	752402657	MBUQSVJAIIIILS-UHFFFAOYSA-N	406.482	5.206	30	20	HKED	
CC(C)(C)c1nc2ccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2s1	761871000	GVDOFBBIBBQBRR-LJQANCHMSA-N	420.538	5.071	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cs1	763289834	NXBCWIGJYQGSFY-ZWAQGKOVSA-N	414.530	5.836	30	20	HKED	
O=C(CCc1ccc(Cl)s1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764753059	BODIODKWWBHCRQ-UHFFFAOYSA-N	404.706	5.048	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cc1	772237840	NYWDCXTZULRVST-RUZDIDTESA-N	422.488	5.564	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC=C(c2ccc(Cl)nc2)CC1	773811580	GWBCZBBHXSKMRH-UHFFFAOYSA-N	422.834	5.248	30	20	HKED	
Cc1csc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	774054882	NAPHPIMSBOTGLA-ZDUSSCGKSA-N	422.362	5.691	30	20	HKED	
Cc1ccc(-c2nnc(COC(=O)c3ccccc3Oc3ccccc3C#N)o2)cc1	778181741	QKWMMCYGDGKZDH-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
C#CCCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12	779729483	BEFXNUINLQXFLG-HSZRJFAPSA-N	401.554	5.066	30	20	HKED	
CC1(C)C[C@H](NN=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CCO1	780246512	JDIKYWBUYIJFSU-QGZVFWFLSA-N	420.340	5.127	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797570412	GHJNSDNZLSPICB-FZMZJTMJSA-N	423.401	5.560	30	20	HKED	
CC(C)c1ccccc1-n1ccn(CN2CCC(C#N)(c3ccccn3)CC2)c1=S	799943509	JODDUCZCDMIVKK-UHFFFAOYSA-N	417.582	5.042	30	20	HKED	
C=CCCCCCCCCNC(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1	806773755	BUXWTRUECLSNKR-HSZRJFAPSA-N	405.627	5.116	30	20	HKED	
COc1cc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1OCC(F)F	809154774	FGJZEQNZKXQTDW-CMDGGOBGSA-N	401.409	5.034	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCSc2ccccc2)cc1	915352130	FIZUQGCZQCIXMY-QHCPKHFHSA-N	401.535	5.646	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1oc2ccccc2c1CSC	916900831	UCOKQWSCKSTNJY-SFHVURJKSA-N	420.534	5.382	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3ccco3)sc2C)cc1	916951677	ZUELGPWUCDBLRB-CXAGYDPISA-N	407.495	5.186	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccccc3F)n2)cc1	920140808	BNUSBHIRFRXZKA-MRXNPFEDSA-N	412.511	5.316	30	20	HKED	
Cc1cccc(C)c1OCCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806422	LAWUUFMRXOCGMT-OAHLLOKOSA-N	412.461	5.351	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc2nc(O)oc2c1	1310293013	MKDCRYNJLGMCNH-AWEZNQCLSA-N	414.421	5.080	30	20	HKED	
C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1	1800556221	XXILDOIZPXTDDX-KOUNCHBCSA-N	410.602	5.110	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1829066636	OLBNVTHLUWIMJP-NRFANRHFSA-N	420.613	5.271	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830349189	DBYRXMVRLQGRGS-OTOIZHKDSA-N	414.634	5.345	30	20	HKED	
Cc1cccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2c[nH]c3ccccc23)c1	15234443	BBIXANVTNXHGCC-QGZVFWFLSA-N	412.522	5.260	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(C)c1	22010870	BLHBNYZDEPLWEC-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
COc1cccc(-c2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)cs2)c1	30875288	NSJOEHKDCVNFQY-UHFFFAOYSA-N	421.469	5.705	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	30999307	LEYJQWNLJGEEBK-UHFFFAOYSA-N	415.518	5.602	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)n1	41517168	GLCVUGUAXQYOCV-GOSISDBHSA-N	415.522	5.243	30	20	HKED	
CC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n(C)c1	51285140	ZXCOJQUVKROMCG-CQSZACIVSA-N	418.305	5.148	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1	55823826	LQXHBTJFWAYIGP-XZOQPEGZSA-N	400.453	5.213	30	20	HKED	
N#CCCn1cc(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c2ccccc21	60599934	GJJWBPQVEUAOTL-UHFFFAOYSA-N	422.897	5.233	30	20	HKED	
CN(CCCCNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1	64772277	FLJDKSDSBNAGQW-UHFFFAOYSA-N	415.562	5.356	30	20	HKED	
CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	72040921	UOENSBXZNUOBAF-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1F	195569119	QBKZZTCPZJDEAU-CYBMUJFWSA-N	401.894	5.287	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1	237214239	RNQCAFVBRZNUTK-MHZLTWQESA-N	411.549	5.241	30	20	HKED	
C=CCN(C(=O)Cn1nc(C)cc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	302853526	FKAFXTCXKQHYDF-UHFFFAOYSA-N	421.353	5.149	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3nnc(-c4ccccc4Cl)[nH]3)c2)cc1	303147199	DVJYAZMSIYSUSI-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c(F)c2)cc1	303311294	FRJCOEXXLCOCGP-KRWDZBQOSA-N	404.510	6.448	30	20	HKED	
CCc1cc(C#N)c(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)s1	409839617	ASAOXUWENALQQK-UHFFFAOYSA-N	409.458	5.382	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(COC(C)(C)CC)c2C)cc1	428789369	OORWUPHDSXWUTL-UHFFFAOYSA-N	424.545	5.652	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	429878706	UDHMRDLMUKTQHZ-LBPRGKRZSA-N	411.792	5.094	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F	433598330	FEYUQPFIHKORRE-IBGZPJMESA-N	421.859	5.345	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1	435602851	GBGYIAJEQOVGOT-OAQYLSRUSA-N	418.497	5.355	30	20	HKED	
C=CCCc1ccccc1NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1	436482539	AKMOFJJUZGIDSB-DEOSSOPVSA-N	414.505	5.011	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	437395399	NTGLZAXYVBZMAO-MOPGFXCFSA-N	420.415	5.238	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1	439316758	NTXZBDNUOCGIKZ-CQSZACIVSA-N	411.355	5.056	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccccc1	439399263	TWQATKOJNMWGTC-IBGZPJMESA-N	413.403	5.058	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccccc2C(F)(F)F)c(OC(F)F)c1	439542264	OQFDRTPDICDQEA-UHFFFAOYSA-N	416.371	5.050	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](CCC#N)c4ccccc4)cc3)o2)cc1	439680049	ZZVJVRIJILXEQC-HSZRJFAPSA-N	422.488	5.487	30	20	HKED	
CCOCc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	440438547	CQWGNVAYLHFEDI-UHFFFAOYSA-N	402.519	5.639	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(NC(C)=O)c1C)c1ccc(C(F)(F)F)cc1	442231021	SJKCJZVNVNMVAX-FQEVSTJZSA-N	419.447	5.801	30	20	HKED	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	442527705	PZOGUXGODDPYMT-INIZCTEOSA-N	417.896	5.037	30	20	HKED	
C=CCC(CC=C)c1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1	445419684	RPGKMRSEXJANAK-UHFFFAOYSA-N	414.918	5.264	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H]3CCC[C@@H]3c3ccccc3C(F)(F)F)o2)cc1	445994856	XLUHBKLFCYOWHF-MJGOQNOKSA-N	412.415	5.053	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)CCc1ccccc1F	463105890	MMCMTSHMKTZOMT-INIZCTEOSA-N	403.457	5.401	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	463820112	WZBDDECSCBUBSX-MHECFPHRSA-N	401.485	5.142	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)sc1-c1ccc(F)cc1	464473262	RIRZGKXPZWTDKR-HNNXBMFYSA-N	404.388	5.767	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2O)cc1	464938867	VMWPLBLFLDLIFC-UHFFFAOYSA-N	413.355	5.031	30	20	HKED	
CCSCC[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	467032683	ILSHYABPQLUZMS-BEFAXECRSA-N	401.963	5.649	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c2ccccc21	469216144	YFHOXFKBJQKFFC-LJQANCHMSA-N	417.509	5.145	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccoc1Br)c1ccc(C(F)(F)F)cc1	469689379	GVRUCBMNXQTQMF-AWEZNQCLSA-N	402.210	5.498	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nc2cc(Cl)ccc2s1	473490434	SGBNXNOVFFFDNX-NSHDSACASA-N	420.803	5.106	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F	473778730	MOGOORWINYQNKT-UHFFFAOYSA-N	406.433	5.173	30	20	HKED	
CC(=O)N(c1nc(COc2cc(Cl)ccc2C#N)cs1)c1ccc(C)cc1C	474398507	VQOBDDAVZOBEBY-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
Cc1cccc2c1OCC[C@H]2NC(=O)c1ccccc1Sc1ccccc1C#N	475894221	CTWZRHCETJWJKM-HXUWFJFHSA-N	400.503	5.272	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cccnc1	475900280	OLLZQCNHKCLHAB-HSZRJFAPSA-N	417.940	5.788	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1	481378060	RZPCTBFKYFTANC-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)c1	483612602	HJWPSTSOIPVKBV-QHCPKHFHSA-N	421.928	5.943	30	20	HKED	
N#Cc1cc(NC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)ccc1F	483924515	GXOPDQLCEZXWGR-QGZVFWFLSA-N	409.408	5.038	30	20	HKED	
Cc1c(C(=O)NCc2cccc(COCC(F)(F)F)c2)sc2ccc(C#N)cc12	486724261	OCNMMQWVEZIIJA-UHFFFAOYSA-N	418.440	5.090	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	498664102	ZVSGAQCMDBFBCT-INIZCTEOSA-N	424.312	6.155	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1	499309316	MVLNHUBUJWIETG-FQEVSTJZSA-N	415.921	5.423	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	499416663	UQPDESSIAQVGMJ-VYDXJSESSA-N	424.125	5.240	30	20	HKED	
N#CC1(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CCOCC1	499925595	CIOGIELDQMDBHP-UHFFFAOYSA-N	400.316	5.595	30	20	HKED	
Cn1cc(CNc2cccc(-c3ccc4c(c3)CCO4)c2)c(-c2ccc(C#N)cc2)n1	500772316	MPMKVUQBECNESW-UHFFFAOYSA-N	406.489	5.173	30	20	HKED	
Cc1ccc(OCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	504935328	DLLMLYCKZOPEMI-UHFFFAOYSA-N	416.546	5.358	30	20	HKED	
C=CCn1c(SCc2cc(Cl)cc3cccnc23)nnc1-c1ccccc1OC	505847309	YFUQHZYUBUMBFP-UHFFFAOYSA-N	422.941	5.634	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)C1CCCCC1	506530027	FKTUOWJUHBMLLX-KSSFIOAISA-N	417.962	5.205	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cnn1C(C)(C)C	508451448	BYBXIXHGDKLOAQ-UHFFFAOYSA-N	418.497	5.125	30	20	HKED	
C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(C#N)cc1	509614039	ALDMTYSISQIZEQ-HNNXBMFYSA-N	407.857	5.763	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nccc2ccccc12	510612968	FRIKZTYSZLFQOP-UHFFFAOYSA-N	408.461	5.529	30	20	HKED	
CCCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H](c1ccc(F)cc1)c1cccnc1	510718433	ZNLKGHZPMJYRNX-QFIPXVFZSA-N	407.876	5.388	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](c2ccnn2C)C1)c1ccc(C(F)(F)F)cc1	511529049	OLWOJYLPZRJVQA-HKUYNNGSSA-N	420.479	5.035	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3C3CCCCC3)c2)c1	511538749	JYTAKOGNAPOGMU-HSZRJFAPSA-N	416.525	5.387	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	513044168	NFYAJTRFCGAVNA-UHFFFAOYSA-N	424.435	5.507	30	20	HKED	
N#CCCN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)CC1CC1	513750181	CHHIXWMDHSGHOD-UHFFFAOYSA-N	402.325	5.371	30	20	HKED	
N#Cc1c(NC(=O)CCCc2nnc(-c3ccccc3)o2)sc2c1CCCCCC2	515448600	GWNKJNZYRUIRQR-UHFFFAOYSA-N	420.538	5.290	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)Cc1ccccc1F	515776071	IEAYRLFEDSKPJI-UHFFFAOYSA-N	413.493	5.294	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	518740073	GMUZXUOJWNEAHH-UHOFOFEASA-N	405.350	6.130	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)n2)cc1	518907037	IRDMNEMOIBWXBJ-SJORKVTESA-N	413.424	5.443	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2	521800138	IWBZCTKYGUTOHP-CQSZACIVSA-N	406.532	5.954	30	20	HKED	
COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NC[C@@H](C)C#N)cc1	521923769	JJRVFYCVMXKXSP-WFVLPUPGSA-N	411.505	5.010	30	20	HKED	
CC(C)CCc1ccccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	523350659	NSMJSAMRHQKEPN-UHFFFAOYSA-N	418.541	5.029	30	20	HKED	
CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	525425440	XIMJUUNMPWZBLQ-MMOPVJDHSA-N	423.944	5.019	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1	534022964	OPSLXAHFVXKCLP-UHFFFAOYSA-N	401.491	5.197	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2ccc(Cl)c(C#N)c2)cc1	541624929	XGVLUJCSBCXCHG-QHCPKHFHSA-N	403.913	5.421	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542948498	VJUGARBCCJSCFC-QGZVFWFLSA-N	403.913	5.476	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	542955313	ZZLSWRRTLSGGNG-QGZVFWFLSA-N	405.424	5.066	30	20	HKED	
N#Cc1cccc(C2(c3nc(-c4cc(Cl)ccc4OCC(F)(F)F)no3)CC2)c1	546471166	PJPFIJUJMWRUAX-UHFFFAOYSA-N	419.790	5.283	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(F)c(Br)c(Cl)c2)s1	552118343	CYQIONGEZOJNBH-SECBINFHSA-N	415.715	5.486	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)cc1	558331181	YVXCRMJPHIXDBX-RDPSFJRHSA-N	417.553	5.506	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC[C@H]3CCO[C@H]3c3ccccc3)cc2)cc1	558584309	XZCKBIDFBRQNQL-RDGATRHJSA-N	412.489	5.053	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C1CC1	564027368	IRNYCTGKPPLXCR-UHFFFAOYSA-N	414.509	5.527	30	20	HKED	
Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1	569015422	IDCSYPUAJISTAW-TZIWHRDSSA-N	407.583	5.733	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ccccc1Br	579482254	MCZSVWILCGHKGB-LBPRGKRZSA-N	413.768	5.179	30	20	HKED	
C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H]1c1nc2ccccc2s1	584081939	RDMUVIXFJIEFAJ-IBGZPJMESA-N	401.539	5.391	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(CC#N)CC1	584447287	JFJSLFFMKYWZDB-UHFFFAOYSA-N	406.313	5.367	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCCOC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	589894816	QVIYSXIOKDUYBB-OAQYLSRUSA-N	404.535	5.423	30	20	HKED	
CC(C)c1ccc(Nc2nnc(SCCC(=O)Nc3ccccc3C#N)s2)cc1	589937753	FIMJMDFBZFGMLD-UHFFFAOYSA-N	423.567	5.398	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cs2)cc1	603519296	OTXMGPOADKQBHH-UHFFFAOYSA-N	415.562	5.539	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc2c(C)nn(C)c2s1	603532773	RSFIXWWXDRHSNS-UHFFFAOYSA-N	418.497	5.109	30	20	HKED	
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	604112850	LMJSWSPJUYBCAR-IRLDBZIGSA-N	423.944	5.115	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)cc2F)c1	609104886	QAQOKVRZBMUCPP-QZTJIDSGSA-N	420.406	5.584	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	609377320	UUZRRGRXZKAGFH-CYBMUJFWSA-N	424.507	5.222	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccccc2SC[C@@H](C)C#N)c(Cl)c1	609387043	HNPOAWQXURWSTR-GOEBONIOSA-N	401.963	5.648	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccnc(OC3CCCC3)c2)c1	609432716	MGYGRXZHRWLWLO-UHFFFAOYSA-N	413.521	5.143	30	20	HKED	
COCCCn1c(S[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1Cl	609813497	CKSQIZIJGTUHJV-OAHLLOKOSA-N	412.946	5.360	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609928372	TWSBKKUBGCABKP-MRXNPFEDSA-N	420.900	5.494	30	20	HKED	
COc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	610359814	OVDVZFAPZKNAHY-INIZCTEOSA-N	420.896	5.290	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCCc2nc(C3CCCCC3)cs2)c(Cl)c1	611094781	YVPBGVUAJKZHNU-UHFFFAOYSA-N	408.354	5.342	30	20	HKED	
N#CCN1CCC(N[C@@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)CC1	611519327	VNABLKBFVHNNAD-HXUWFJFHSA-N	407.867	5.026	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)CCCC2)c1nc2cc(C(F)(F)F)ccc2s1	613403509	GZEVZKYQTXGVSF-MRXNPFEDSA-N	400.425	5.684	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)c2)cc1	618749681	FCSOHEXCXDVXPA-RUZDIDTESA-N	422.488	5.012	30	20	HKED	
C=CCOc1cccc(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1	619774819	NESCVZPYGXFAIX-UHFFFAOYSA-N	405.460	5.108	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	680169991	UCXCUULJJASILO-XMMPIXPASA-N	405.501	5.357	30	20	HKED	
CC(C)n1ncc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1-c1ccccc1	683106169	UAIKQBROKKLTER-MRXNPFEDSA-N	404.470	5.370	30	20	HKED	
CCN(C(=S)NCCc1ccc(Cl)cc1Cl)[C@@H](C)c1ccc(C#N)cc1	726480956	PLQCLIVNGJBQMT-AWEZNQCLSA-N	406.382	5.365	30	20	HKED	
CC1(C)Cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)sc2-c2ccccc21	726858151	FXRMCYDVGCHBMM-GOSISDBHSA-N	400.503	5.210	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1OCC#N	727267528	JTGGYHYZQAOPOR-YCRREMRBSA-N	408.454	5.065	30	20	HKED	
CC(C)N(C(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	728200766	PGFQHJKGHLHJLH-UHFFFAOYSA-N	417.484	5.130	30	20	HKED	
CCC(CC)CN(CCC#N)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O	729471866	RRBNDDGMRXFKBU-UHFFFAOYSA-N	416.569	5.290	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C	731070987	ZOIUKSJMIFHDKY-YDZSZYSISA-N	422.550	5.059	30	20	HKED	
C[C@@H](C#N)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1	731298509	JOHRNJDSMNSVAZ-OYHNWAKOSA-N	403.869	5.402	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1	733801516	QYARHHHHRREYSU-UNMCSNQZSA-N	411.933	5.362	30	20	HKED	
C[C@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	734062387	RFFYKNVSVQSNHX-QPPBQGQZSA-N	419.912	5.025	30	20	HKED	
C[C@@H](Nc1ccc(OC2CCCCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	734850649	MABSMYOETLQFAP-OAHLLOKOSA-N	409.555	5.259	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)[nH]c12	735791395	XWGINSWLDMUOAY-MRXNPFEDSA-N	406.898	5.067	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(Cl)c1	740781151	PSBPMBPMWMYFCM-UHFFFAOYSA-N	416.909	5.367	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2csc(N(C(C)=O)C3CC3)n2)cc1	741468152	CUYSBIAFMDTLKI-SDNWHVSQSA-N	418.518	5.230	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(F)c1	744035576	PDENHITUZPJTJM-BDJLRTHQSA-N	419.308	6.236	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OC	749454046	VIRNRPCCCYENAJ-FUIJVIPGSA-N	410.514	5.299	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1cc(C)on1)c1ccc(C(F)(F)F)cc1	749872406	RQYWCAHVETZJNU-PKOBYXMFSA-N	407.436	5.556	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](CCO)c1cccs1)c1ccc(C(F)(F)F)cc1	750311876	BGIZZVXRTNUWLQ-IAGOWNOFSA-N	412.477	5.197	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)c(Br)c2)c1	755833330	VRRMAPZZNRXBRL-AWEZNQCLSA-N	422.710	5.105	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](c3ccc(F)cc3)C(C)C)n2)cc1	756530094	RMPHBXWUPJSAJF-TZIWHRDSSA-N	408.498	5.574	30	20	HKED	
Cn1c(CC(=NOCc2ncc(-c3ccccc3)o2)c2ccccc2)nc2ccccc21	756873530	FTSXFPBNIQGIPF-UHFFFAOYSA-N	422.488	5.392	30	20	HKED	
C[C@@H](Nc1ccc(F)cc1OCC#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	760215309	GQQCRSSVHQZNCO-SNVBAGLBSA-N	407.232	5.258	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C(F)(F)F)c2C)ccc1OC	761656882	ZBFKTOOUEPPQKO-OAHLLOKOSA-N	421.419	5.025	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c1	766522472	LNXRRJPGXWLRKD-UHFFFAOYSA-N	400.372	5.140	30	20	HKED	
N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc2ccccc2s1	769774867	WUMTUIHERWCGSD-CKXDQPNJSA-N	406.816	5.772	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@@]3(C#N)CCc4ccccc4C3)cs2)cc1	770119271	WWVDRJUUGMSOKE-VWLOTQADSA-N	415.562	5.043	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)c1ccccc1	772033651	QWHCWIXPPQPVRA-WIYYLYMNSA-N	415.578	5.029	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccccc2C)cc1	772972745	WBSSHUVVINGLML-LJQANCHMSA-N	416.502	5.116	30	20	HKED	
Cc1cc(C#N)ccc1COC(=O)c1ccsc1NC(=O)c1ccccc1Cl	777052894	FESXPXKBXCIEKO-UHFFFAOYSA-N	410.882	5.191	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1	781616326	GTYFGLLGMLOKHS-GOSISDBHSA-N	423.375	5.104	30	20	HKED	
Cc1csc(SCc2c(C(=O)N3CCC(CC#N)CC3)oc3ccccc23)n1	782054012	XNHRCYBJJXJHME-UHFFFAOYSA-N	411.552	5.256	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)nc2C(F)(F)F)nnc1-c1ccccc1	786709598	SGTIAEGCLSETCL-UHFFFAOYSA-N	410.852	5.491	30	20	HKED	
C[C@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccc(OCC#N)cc1	794835358	PQJQFQNLUROXLD-ZDUSSCGKSA-N	403.429	5.904	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1CNCc1cccc(-c2ccc(C#N)s2)c1	796310553	OXTKPIPKRUNYRV-UHFFFAOYSA-N	419.941	5.119	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/Sc1cc(F)ccc1F	797943526	SDSUQZXBFYTDLL-DVQDXYAYSA-N	414.477	5.043	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	805858067	NCLZRZYKYRYGID-KBXCAEBGSA-N	404.420	5.035	30	20	HKED	
Cc1ccc([C@H](O)[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	806230008	BNVISSWTBXYGGR-MHECFPHRSA-N	415.493	5.211	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806266358	XIDKGQKYEVMWLR-NSHDSACASA-N	410.326	5.415	30	20	HKED	
CCCCCCCCCN(C)C(=O)Nc1cccc(C(=O)NC)c1Br	806735321	XKNGGQKCXLDEQN-UHFFFAOYSA-N	412.372	5.023	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nccc2ccccc12)c1csc(-c2ccccc2F)n1	816045192	FDHCCEXOPSWQIE-SFHVURJKSA-N	415.493	5.651	30	20	HKED	
N#CCCC[C@H](NC(=O)Cc1ccc(Cl)cc1Br)c1ccccc1	817324509	FSHKVURXVSYQJV-SFHVURJKSA-N	405.723	5.196	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)cc1	863940082	YGGQHVSPCIMSMW-INIZCTEOSA-N	416.502	5.131	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cnn(Cc3ccccc3Cl)c2)cc1	915114395	LYZOOJVAVRXSNA-KPKJPENVSA-N	422.916	5.011	30	20	HKED	
CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915351450	CEJSCIUAWBCKGH-QHCPKHFHSA-N	419.912	5.538	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1F	915352510	JPIWWHGXFLAORS-NRFANRHFSA-N	403.457	5.154	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1	916912332	YWZKZZHLXIQTIO-GOSISDBHSA-N	423.925	5.296	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	917645411	YRQBAZGHEOJTKQ-YBFXNURJSA-N	406.463	5.363	30	20	HKED	
C=CCN(C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F)C(C)C	918083301	VREGDKVFUYMGGL-LJQANCHMSA-N	405.311	5.284	30	20	HKED	
N#C[C@H]1C(CN2CCC[C@@H]2c2cccc3ccccc23)=CC(=O)n2c1nc1ccccc12	920087870	HRPGPCVCEYLQGE-LADGPHEKSA-N	418.500	5.214	30	20	HKED	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920143667	ZOIUCXGYQXAJNV-ACJLOTCBSA-N	423.950	5.692	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)CCC1	1788907617	GQQMFINXJXLKDC-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1	1789625939	FUVQCEJZTYOQMS-UHFFFAOYSA-N	421.541	5.292	30	20	HKED	
Cc1cccc(OCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	16277818	LSBRMQGYPDFNGG-UHFFFAOYSA-N	416.546	5.358	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)n1	18535788	MEIZIKYMNKMBNR-NSHDSACASA-N	413.852	5.362	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	24507334	SVAJEIIAUUXYTR-UHFFFAOYSA-N	418.415	5.058	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)[C@@H](C)c1ccc(C#N)cc1	45500143	LSICCFIFVWWIQX-HNNXBMFYSA-N	409.942	5.487	30	20	HKED	
CCn1ncc2c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc(-c3ccccc3)nc21	47375942	UVDDGFGVYVSGLF-HXUWFJFHSA-N	417.472	5.156	30	20	HKED	
CCCC(=O)Nc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1	47719464	VJNSZBNJJDDGNX-UHFFFAOYSA-N	413.521	5.166	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1	48853400	LMRMCDUYWHFXHO-LJQANCHMSA-N	414.896	5.240	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC	56744516	QWOCUJLGDQBKAX-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
COc1ccc(CC[C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	60137179	YQCOBVODGSFJOG-GOSISDBHSA-N	416.546	5.469	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1c(C)cc(Br)cc1OC	65818162	CMKBOKVGSXKBQN-UHFFFAOYSA-N	407.283	5.125	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(NCc3cccc(COC4CCOCC4)c3)c2c1	301400672	PXUNDPYPCFTGLO-UHFFFAOYSA-N	401.510	5.031	30	20	HKED	
O=C(/C(=C(/S)Nc1ccccc1Cl)[n+]1ccccc1)c1cccc(Cl)c1	301582344	RSNLZTAKBRLAMY-UHFFFAOYSA-O	402.326	5.332	30	20	HKED	
C=CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1-c1cccnc1	302695588	HSDJIVAMNARQRT-UHFFFAOYSA-N	424.533	5.133	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCc1ncc(-c2ccccc2)o1	303294599	NHACNDKALCRTAL-KRWDZBQOSA-N	405.523	5.555	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](c2ccccc2)CC1	303425255	ZLNXMALXDOOIBE-FPOVZHCZSA-N	407.583	5.147	30	20	HKED	
CC1(C)C(=O)Nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc21	426175212	RZZBJXNGGNOEQO-HNNXBMFYSA-N	421.909	5.183	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1nccc2ccccc12	430598092	BQUHYCFFDIXQNM-MRXNPFEDSA-N	407.260	5.217	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	432860565	SWQAARBVDWPUTD-GTNSWQLSSA-N	411.424	5.344	30	20	HKED	
Cc1c(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)cccc1OCC(F)(F)F	433227007	JDXDZKQZPJADAK-OAHLLOKOSA-N	424.316	5.342	30	20	HKED	
COc1cccc(-c2nnc(SCCCCC(C)(C)C#N)n2Cc2ccco2)c1	436143487	XAAABFKDMFGQAN-UHFFFAOYSA-N	410.543	5.407	30	20	HKED	
COc1cc(CSCc2sc(C)nc2C)ccc1OCc1cccc(C#N)c1	437263119	QPHZAHLJEUHDAE-UHFFFAOYSA-N	410.564	5.653	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2C)c1	437813214	ZWBKZCBBZRPACX-GMAHTHKFSA-N	413.525	5.101	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c(OC(F)F)c1	439520279	UUYQOCWDWIOVDB-UHFFFAOYSA-N	416.428	5.184	30	20	HKED	
COc1ccc(NC(=O)c2ccc(NCc3ccc(C#N)cc3OC(F)F)cc2)cc1	439562832	UYZUGEXOKZRBBB-UHFFFAOYSA-N	423.419	5.033	30	20	HKED	
CN(C)CC1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	442227500	FSTILHDBRQCCJL-RKOYOZNISA-N	424.976	5.237	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)c2ccccc21	444274094	XOQJAOAGMLBAOQ-UHFFFAOYSA-N	421.491	5.318	30	20	HKED	
N#Cc1cc(NCc2noc(C3CC3)n2)ccc1Oc1ccc(C(F)(F)F)cc1	444399176	JJWZGEOJQSIEDU-UHFFFAOYSA-N	400.360	5.242	30	20	HKED	
C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1	444675871	SRHUNJDECGDETM-XZOQPEGZSA-N	401.598	5.129	30	20	HKED	
COc1ccccc1[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1Cl	462138771	JHIBHVQAPFGUAV-QMHKHESXSA-N	404.897	5.230	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3SCCc4sccc43)c2)cc1	463121932	ZGCFFDGGVNBKHV-JOCHJYFZSA-N	420.559	5.362	30	20	HKED	
CC(C)CC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)(C)C	470546546	NALLYMOZWAOOKF-NRFANRHFSA-N	412.578	5.242	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	470626774	ODKOXMCUZHAFLM-NSHDSACASA-N	418.309	5.084	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(CSC3CCCCC3)c2)cc1	470989651	TWBLVRZCNLYJLR-NRFANRHFSA-N	403.551	5.445	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(OCC2CC2)c1	472492748	CAWYJPMDVAFUQK-MRXNPFEDSA-N	412.898	5.237	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1nc(C(F)(F)F)cs1	472758748	XZSUQTGMWOSSNQ-NSHDSACASA-N	414.478	5.078	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474264705	HLWVHFSHTJXNAF-INIZCTEOSA-N	400.322	5.309	30	20	HKED	
N#CC[C@H](CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1	474424907	GNUZDSYOLTWEMJ-VWNXMTODSA-N	407.517	5.504	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cn1	474873457	REZMMYQSAHSEBE-LJQANCHMSA-N	401.466	5.217	30	20	HKED	
CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481619597	CSDYYQRNGYHPDQ-UHFFFAOYSA-N	417.484	5.719	30	20	HKED	
CCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1cccc(Cl)c1	485338338	YZQIOTQCTUJTNZ-UHFFFAOYSA-N	419.916	5.156	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CCCC#N)c1ccccc1	487218308	KJXDZTAWLSDOMO-JXFKEZNVSA-N	423.969	5.920	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1cc2c(cc1Br)OCCO2	487377791	LAXDETWYYIZCTI-ZDUSSCGKSA-N	419.344	5.227	30	20	HKED	
N#Cc1cc(F)ccc1CSCC(=O)Nc1ccc(OCc2ccccc2)cc1	488497748	UTKADSWYSPUHGH-UHFFFAOYSA-N	406.482	5.148	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2ccc(F)c(F)c2)nnc1-c1cnccn1	488894090	TZHZRBMFWTYNGP-FQEVSTJZSA-N	421.476	5.081	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1	489167402	CJDHCYHVOKCKSP-UHFFFAOYSA-N	422.435	5.466	30	20	HKED	
C=C(C)Cn1c(SCc2cccc(OCC(F)(F)F)c2)nnc1-c1ccncc1	489387644	LQRXTORUTRFEGY-UHFFFAOYSA-N	420.460	5.150	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(F)cc1C(F)(F)F	494526509	AXTKFBAFAMFHTL-UHFFFAOYSA-N	415.346	5.464	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc(C)nc21	499841192	TVSVMFOMAVNZJG-YVEFUNNKSA-N	416.312	5.012	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3cccc4ccccc34)c2)cc1	501454605	YLTZZASJQWYQQI-UHFFFAOYSA-N	406.485	5.666	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccccc1C(F)(F)F	507131245	FQLLPCQFBCXBGL-CQSZACIVSA-N	424.513	5.829	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)cc1	507718815	PAVCORLYRPVNDR-RBUKOAKNSA-N	404.407	5.205	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3ccccc3Cl)o2)cc1	510942234	CCPJALCFGDVJOA-UHFFFAOYSA-N	418.802	5.676	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	512443949	IZNNMENGBMNJPX-CYBMUJFWSA-N	422.312	5.268	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1	513141318	PSNJBWUCQQPDLJ-OAQYLSRUSA-N	418.493	5.243	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c2ccccc21	513231242	TWQACGDLLOFKEX-QHCPKHFHSA-N	409.892	5.309	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccccc2Br)nnc1-c1cccnc1	513242724	XEQPMPBUHQJNFH-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN(Cc1c(Cl)cccc1Cl)C1CC1	513255983	JMHVLQADZBDONL-UHFFFAOYSA-N	420.365	5.212	30	20	HKED	
CCC(CC)CN(CCC#N)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1	513728668	JNLTVVQXXCYFLO-UHFFFAOYSA-N	402.539	5.119	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Sc1ccc(Br)cc1	515647694	RUQIJHVDMWPUNE-OAHLLOKOSA-N	417.372	5.239	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(Cl)c(Cl)c1	521352997	ZVAONHFVIJDLQM-AWEZNQCLSA-N	423.097	5.232	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)on1	521800832	RELNGEQLVDQVQO-NSHDSACASA-N	403.916	5.703	30	20	HKED	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	522541967	GSBQKSOTWVHNSR-FQEVSTJZSA-N	405.885	5.150	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)N[C@H](C)c2ccc(C#N)cc2)cc1OC	522840893	ABCSJJCJPCYVCN-NTKDMRAZSA-N	400.522	5.519	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1F)c1nc(O)c2c(-c3ccccc3)csc2n1	525118653	XFKKTPMIMKWDEA-LBPRGKRZSA-N	407.495	5.928	30	20	HKED	
C=CCCC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1	534974823	FUSMVUCYDWYIMX-UHFFFAOYSA-N	415.518	5.888	30	20	HKED	
CCC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1F	539324716	FGUDAVDFWKSJPD-BEFAXECRSA-N	417.525	5.286	30	20	HKED	
CC(=O)N(c1nc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1)C1CC1	541083875	AXMMOZMEUWEVAD-INIZCTEOSA-N	416.550	5.048	30	20	HKED	
C[C@@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccc(-c2cccc(C#N)c2)cc1	542944651	BSNREHVFCHUYCQ-MRXNPFEDSA-N	414.896	5.779	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(CNc4ccncn4)c3)c2)cc1	543523913	ZFMVJTBOZKHDPP-UHFFFAOYSA-N	421.460	5.005	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	552271508	JPZWYUQLIHQJIZ-WOJBJXKFSA-N	400.444	5.499	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1	552842180	ZLYZHHNDTWXSOJ-HXUWFJFHSA-N	406.873	5.094	30	20	HKED	
N#CCCC[C@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1	556908875	YSPTXDSRYKEGAX-FQEVSTJZSA-N	400.313	5.099	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)Cc1ccc(Br)cc1	557425669	TVXDQQOCIITWLQ-QGZVFWFLSA-N	418.379	5.010	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCc1nc([C@H](c2ccc(Cl)cc2)C(C)C)no1	564282802	PRLVXEBTMGVIOW-NRFANRHFSA-N	411.937	5.023	30	20	HKED	
CSC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	566938703	GECVDXIKULZNKI-OAQYLSRUSA-N	414.527	5.239	30	20	HKED	
Cc1csc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)c1C#N	582325518	MXJWOAJHTJLAIP-UHFFFAOYSA-N	417.284	5.115	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	587988670	CTKNSJLXGAPTDA-QGZVFWFLSA-N	401.853	5.178	30	20	HKED	
N#CCn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2ccccc21	591862290	NRDUZHGVEZTYDX-KRWDZBQOSA-N	416.893	5.432	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c12	603527562	OZVVGMGQRASWTF-UHFFFAOYSA-N	410.477	5.121	30	20	HKED	
N#Cc1ccc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cc1	603749213	ZQSZVCFGUQZKJD-FQEVSTJZSA-N	407.267	5.080	30	20	HKED	
Cc1cc(C)cc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)o2)c1	603906003	NYPDJLQMZPSTAY-UHFFFAOYSA-N	420.538	5.009	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1sccc1C#N	603945574	IJBYGWODAHKJRQ-UHFFFAOYSA-N	401.900	5.148	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)NC1(c2cccc(F)c2)CC1	606970381	COZVOSLRWLCJFL-RYUDHWBXSA-N	412.349	5.024	30	20	HKED	
CC(C)(C)c1ncc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)s1	609028803	PPDDLFUOIXXNCX-LJQANCHMSA-N	405.523	5.014	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2)cc1	609128901	WTQDDKFRJOYIAW-FQEVSTJZSA-N	423.472	5.512	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1	609182661	VUHXENHZAWQMMY-HSZRJFAPSA-N	412.965	5.047	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1	609375321	HCIWKJOIDIMTLE-INIZCTEOSA-N	422.579	5.157	30	20	HKED	
C=CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccc(Cl)s1	609384916	UDHUYIRFLVQRIS-HNNXBMFYSA-N	420.003	5.422	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1	609398042	DCRAJSSQEPHYBC-IRXDYDNUSA-N	420.538	5.491	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	609642157	ACTMCNGCXJHCCB-UHFFFAOYSA-N	411.461	5.072	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	618561417	FSIYQOUXLOYXSU-QFIPXVFZSA-N	406.441	5.178	30	20	HKED	
COc1cc(C[S@@](=O)[C@@H]2CCc3ccccc32)ccc1OCc1cccc(C#N)c1	618625124	ZAOXIPXHBALTKM-FYBSXPHGSA-N	417.530	5.082	30	20	HKED	
N#CC[C@H](CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	619427801	NTQODUWVIAXZIS-RBSFLKMASA-N	406.370	5.100	30	20	HKED	
C=CCN(C(=O)Cc1c(C)nc2ccccc2c1C)c1nc(-c2ccccc2)cs1	641902341	TURDDTYNQKFVPS-UHFFFAOYSA-N	413.546	5.737	30	20	HKED	
FC(F)(F)c1ccc2oc(CN3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)nc2c1	675891436	KHHAZRKHEGPCDI-IUCAKERBSA-N	406.248	5.019	30	20	HKED	
Cc1nc(NC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)sc1SCC#N	725717765	BJKGWXYAKDJHGE-HNNXBMFYSA-N	410.568	5.347	30	20	HKED	
N#CCOc1cccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)c1	727744180	MAJFWELUCAYCDB-OBGWFSINSA-N	408.486	5.664	30	20	HKED	
Cc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c(C)n1-c1ccc(C#N)cc1	728265301	KBKSTHBMMNDWTI-QGZVFWFLSA-N	414.534	5.409	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1	730379830	KWFFSFUXKSKSLP-KKSFZXQISA-N	404.539	5.640	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	731136925	WPUVHKDYKOKRBP-RHSMWYFYSA-N	414.452	6.002	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)OCc2noc3c2CCCC3)cc1	731233970	UVNACZXFQYQIIV-UHFFFAOYSA-N	404.491	5.074	30	20	HKED	
CCN(CC)c1ccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	740002541	RBVOAHDFCXSHIC-KBPBESRZSA-N	414.409	5.671	30	20	HKED	
COc1cc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)c(SC)cc1OC	741165768	RTIXZQOWFDKUMC-VAWYXSNFSA-N	408.523	5.124	30	20	HKED	
Cc1cccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccccc2)c1	742353755	QYIFUXWWSDAIHM-UHFFFAOYSA-N	412.518	5.437	30	20	HKED	
COCc1cccc(/C=C2\CN(C(C)(C)C)C/C(=C\c3cccc(COC)c3)C2=O)c1	742433007	LQSVUXRICUKYRC-KOJZRSEWSA-N	419.565	5.130	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744036132	VXLAUHCHSAEFQG-MSKHEQNASA-N	420.843	6.248	30	20	HKED	
C=C(C)COc1cc(/C=C(\Cl)c2nc(=O)c3cc(Cl)ccc3[nH]2)ccc1OC	747063648	POYSUZOGMYXIPX-PXNMLYILSA-N	417.292	5.277	30	20	HKED	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	748833443	BGORJZCTDXMGMZ-RNODOKPDSA-N	421.950	5.067	30	20	HKED	
C(=NNc1ncnc2sc(-c3ccccc3)cc12)c1c(C2CC2)nc2sccn12	755521018	KXPXJMAMYJJYMC-UHFFFAOYSA-N	416.535	5.391	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756243722	MKRADXSZCUIKED-KUHUBIRLSA-N	421.522	5.426	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Cc3cccc(Cl)c3)n2)cc1	756529412	OZWQVRMZNMHORN-LIRRHRJNSA-N	410.926	5.527	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc3c(s2)CCCC3)cs1	764431856	GZRHWEQNISWSSE-FMIVXFBMSA-N	422.575	5.973	30	20	HKED	
C=CCn1c(COc2ccccc2)nn(CN2[C@H]3CC[C@H]2c2ccccc23)c1=S	765026546	TVMPUWJVZXFRMG-SFTDATJTSA-N	404.539	5.028	30	20	HKED	
Cc1c(C(=O)/C=C/c2cccc(-c3cccnc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	768489702	FVNSUOARAFNPGE-CMDGGOBGSA-N	403.394	5.078	30	20	HKED	
Cn1nc(C(F)(F)F)c(CN[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1Cl	770046840	STPZXONMBHBYIF-JTQLQIEISA-N	424.147	5.278	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)OC[C@H](C#N)Cc2cccs2)cs1	772732526	IYPOCEYBAYLWEN-HNNXBMFYSA-N	414.577	5.345	30	20	HKED	
CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc2cc(OC)ccc2c1	777115528	AJCYEHURXCZMTJ-RUZDIDTESA-N	415.537	5.244	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1)c1ccccc1	777684436	UVORECZZDLOUGF-VWLOTQADSA-N	405.586	5.153	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC1CCC(C(F)(F)F)CC1	783351074	SEJQTMRGTJDCGI-UYJHFMRCSA-N	408.464	5.218	30	20	HKED	
C[C@H](OC(=O)CCC(C)(C)C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	783987845	JDQZCJUYDKHLAI-ZWKOTPCHSA-N	418.493	5.145	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C/c3cnc(-c4ccc(Cl)cc4)s3)cc2N1	789147353	HIWZAOSQOWIVSC-AATRIKPKSA-N	418.952	5.465	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl	789451006	SDZXDEXELSXRGS-GOSISDBHSA-N	407.341	5.700	30	20	HKED	
CN(CCC#N)c1ccc(CNc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1	793329451	SOAJMFUZQUBDLE-UHFFFAOYSA-N	416.472	5.791	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc2oc3ccccc3c2cc1OC	796601095	GQHDZZFMJDIYIN-UHFFFAOYSA-N	420.465	5.290	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	799206443	IAQVHJIIGGJEGE-HLQMRTJFSA-N	417.553	5.135	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799349744	JSHXPCFZUZLFSI-UHFFFAOYSA-N	423.425	5.040	30	20	HKED	
Cc1c(Cl)cccc1NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1	916025934	PQQVELCJNAOEIA-UHFFFAOYSA-N	421.953	6.102	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1ccc(F)cc1F	916128327	ZDSZXYVCPMTIHF-FNORWQNLSA-N	406.251	5.747	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccccc2C)ccc1OCC(=O)Nc1ccccc1	916155900	LIFARMRCUUVQMT-SQFISAMPSA-N	415.489	5.307	30	20	HKED	
N#C[C@@H](C(=O)CSc1cccc2cccc(Cl)c12)c1nc2ccccc2s1	916627342	NMLKJSDQQDTWBA-AWEZNQCLSA-N	408.935	6.071	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916681175	PSGBQQWYUUYVSO-UZUQRXQVSA-N	403.913	6.220	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(C(C)(C)C)cc1	916904031	ZMTVFYSWIRKRTK-MZEUMTGBSA-N	424.928	5.315	30	20	HKED	
CCCCOc1ccc(-c2nnc(CON=Cc3cccc(Cl)c3Cl)o2)cc1	917395614	VIAZYBLNFHBSAU-UHFFFAOYSA-N	420.296	5.773	30	20	HKED	
Cc1cc(-c2csc(NC(=O)C(C)(C)C#N)n2)c(C)n1Cc1ccccc1Cl	917576155	NCZJLYWBDNFXEN-UHFFFAOYSA-N	412.946	5.418	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccccc2Cl)cc1	917805096	RDWLJKLHZVUISV-KAMYIIQDSA-N	402.881	5.637	30	20	HKED	
Cc1ccc(CCn2c(CC3CCCC3)nnc2N(CCC#N)CC2CC2)c(C)c1	1361245890	UVGVCCQAGOQISE-UHFFFAOYSA-N	405.590	5.000	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC(C)(C)C)cc3)CCC2)c1	1787658907	GDXRIBPWCDMEDW-SFHVURJKSA-N	417.553	5.498	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1	1787872779	DYFYUYYGDSJVKQ-UHFFFAOYSA-N	410.480	5.455	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCS3)CCC2)cc1	1789625598	KLNQDGAJOIGPHA-IBGZPJMESA-N	400.588	5.009	30	20	HKED	
C[C@H](c1nnc(SCc2cc(C#N)ccc2F)n1-c1ccccc1)N1CCCCC1	11222172	GTDGHLUWKLKDIC-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
Cc1ccc(C(=O)/C(=C(\S)Nc2cccc(C)c2C)[n+]2ccc(N(C)C)cc2)s1	22729418	DBMBYUSTHQUSFU-UHFFFAOYSA-O	424.615	5.078	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2cccc(O)c2)c1	22729837	FZSFLGVXOWDQMY-UHFFFAOYSA-O	411.572	5.026	30	20	HKED	
Cc1sc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C#N)c1C	24361684	LJRIUCRZMJTHNS-UHFFFAOYSA-N	421.469	5.560	30	20	HKED	
C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccco1	54452260	RHMIQPORSGCZRX-UHFFFAOYSA-N	416.506	5.269	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)cc1	55429721	HJDGNQJNKSHWMH-UHFFFAOYSA-N	406.388	5.230	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nnc2n1CCCCC2	60851268	KHLDWCNUULRCOX-LBPRGKRZSA-N	405.310	5.016	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	65680353	WIBDRPPKKJCSER-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
Cc1cc(Br)cc(Cl)c1NC(=O)CCCCOc1cccc(C#N)c1	303447193	IURRZJVPFUKZPA-UHFFFAOYSA-N	421.722	5.470	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1	303832585	HOFZJNDIEMBLAV-MSOLQXFVSA-N	404.388	5.010	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1	436209220	LDXRQIXAVBTJJK-UHFFFAOYSA-N	414.962	6.052	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(F)c(F)c1	437809301	JURWAWHIPVFNMX-DKSSEZFCSA-N	408.395	5.039	30	20	HKED	
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C	438444634	AGAPVUIOGWEGBO-QFIPXVFZSA-N	400.906	5.068	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(CCC(F)(F)F)cc1	440277145	BDYONYCCWIVTPI-WOJBJXKFSA-N	401.432	5.485	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12	440390407	RTWAPYUCXSZJQM-NVQXNPDNSA-N	409.489	5.287	30	20	HKED	
Cc1sc([C@H](C)NC(=O)NCC2CCC(C#N)CC2)nc1-c1ccc(Cl)cc1	440997173	IUCBJBUPHRKLDP-JEYLPNPQSA-N	416.978	5.462	30	20	HKED	
C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1	442103232	PDNBDKWFGPMQKB-IERDGZPVSA-N	423.944	5.019	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(CNC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	442202813	ZNFVNQUAVCEAAG-HXUWFJFHSA-N	419.447	5.171	30	20	HKED	
N#C[C@@H](C(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1nc(-c2ccccc2)cs1	442504997	GHRHBPXCPOCYNK-ZDUSSCGKSA-N	413.289	5.255	30	20	HKED	
CC1(C)CCC[C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	443660824	ZNISVLQVVFPRTR-AZUAARDMSA-N	423.944	5.019	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1	446435712	DLIQDCRMFCSJMM-UHFFFAOYSA-N	419.462	5.042	30	20	HKED	
Cc1sc([C@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	462175700	MMBCFCBKZXAXOV-KBPBESRZSA-N	409.942	5.625	30	20	HKED	
Cc1sc(NC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)c(C)c1C	462220169	CRCIHVKNQZGFBO-UHFFFAOYSA-N	405.523	5.175	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)c(F)c1	464650072	PEUYDEZEAAJFMN-UHFFFAOYSA-N	418.255	6.035	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	464943512	ZSYDHOBKQIONNX-LEWJYISDSA-N	419.525	5.093	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccc1	466608432	OPLUQEVCPPJYIV-CQSZACIVSA-N	423.929	5.688	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1	467091668	BAZCJWHJMZPLDW-UHFFFAOYSA-N	411.303	5.053	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C	468316913	OTRRUDOFOLZWKY-HXUWFJFHSA-N	404.558	5.690	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cc(-c4ccccc4)cs3)ccc21	469189642	MYPUGNAERJMAOX-UHFFFAOYSA-N	401.535	5.610	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470541014	CYNIQCXURQRZDB-INIZCTEOSA-N	424.932	5.148	30	20	HKED	
Cc1ccc([C@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccccn2)cc1	475327297	BUPAFVMLGWUEJG-NDEPHWFRSA-N	419.528	5.720	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1	475551282	XUYGYJXQGGOBJN-UKILVPOCSA-N	414.553	5.785	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc(Cc2ccc(F)cc2)nc1C	476080173	NQOBNTLQHTVJQC-UHFFFAOYSA-N	408.542	6.286	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	476131495	CELYFKPXPJUIFR-UHFFFAOYSA-N	406.507	5.643	30	20	HKED	
CC[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1	477885721	XZLGYGWZDNTFHB-FQEVSTJZSA-N	415.896	5.055	30	20	HKED	
O=C(Cc1ccoc1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	478224626	HVANWHNPFCGCCO-CYBMUJFWSA-N	419.243	5.280	30	20	HKED	
Cc1c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)oc2c1ccc1ccccc12	479245521	NTUWHPAOXSSANO-UHFFFAOYSA-N	423.516	5.183	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C(C)C	479545887	MOGYPZFPLJQBBZ-UHFFFAOYSA-N	402.498	5.579	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	484977191	AVMNGNUVMOSIHI-KBXCAEBGSA-N	404.297	5.306	30	20	HKED	
N#CCCC[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1	487536693	MLGQLXHYFUYGNY-KRWDZBQOSA-N	424.854	5.107	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](c3ccccc3)c3cccnc3)c2)c1	488614513	AQUMATBSJWHUEZ-MHZLTWQESA-N	405.501	5.411	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3c(Cl)cccc3[N+](=O)[O-])o2)cc1	488725484	UIBPKXGQUQFOSD-UHFFFAOYSA-N	403.847	5.155	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCc1ccc(OCc2ccccn2)cc1	488793585	CABHUYSDUZDJAN-UHFFFAOYSA-N	401.413	5.238	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	490799097	RLNGTKOZVAGUDQ-UHFFFAOYSA-N	403.482	5.103	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1	500552924	AMVQJGIHPMGGKB-UHFFFAOYSA-N	416.905	5.296	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F	501089350	QCTWJAUUFCJCGO-HOTGVXAUSA-N	424.463	5.071	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C#N)cc1	505326966	YFIORJRDBHKKIJ-OPAMFIHVSA-N	414.896	5.750	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(-c3nccs3)c2)c1	509517536	BTEBEFUSZPDLHO-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	512860862	KWFBYTFPQMBMBL-UHFFFAOYSA-N	419.462	5.269	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1	513142153	XZQLWKNCVHXFKJ-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)oc1ccccc12)c1nc2ccccc2n1C(F)F	513662040	SJMOIBSRNKKCOY-MRXNPFEDSA-N	401.372	5.821	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C	513665304	CYCYECGXWPBYRD-OAHLLOKOSA-N	406.898	5.149	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)sc2c1CCCCCC2	515677727	VPDAIASPXPDANZ-GOSISDBHSA-N	410.539	5.089	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	517517647	GCOQQVIGQFLTIP-AWEZNQCLSA-N	415.584	5.688	30	20	HKED	
N#CCCCCNC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	519432890	FZROLSCRPCXRNJ-IBGZPJMESA-N	408.304	5.409	30	20	HKED	
C=CCOc1cccc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1	519988554	YUXMKFDGSSUSBO-UHFFFAOYSA-N	407.514	5.092	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1C	520470251	XCZQKBSGVFZDMC-UHFFFAOYSA-N	411.509	5.134	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	520837538	ZIHZXPLRFCJPCZ-GJZGRUSLSA-N	410.568	5.248	30	20	HKED	
CCN(Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1)C(C)C	521886095	JUPVDEGWZKOQOY-FQEVSTJZSA-N	404.341	5.218	30	20	HKED	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2occc2COc2cccc(C#N)c2)C1	523091861	ANHPRULMUYJTFR-NQIIRXRSSA-N	400.478	5.057	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)[C@@H](C)Oc3ccccc3C#N)s2)cc1	523495097	LDDGISRAGTVJLN-QZTJIDSGSA-N	419.550	5.286	30	20	HKED	
CC(C)(C)Oc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	523729955	XAFFMVUILBGMGL-UHFFFAOYSA-N	400.478	5.567	30	20	HKED	
Cc1cc(C(=O)N(C)C[C@H](C)C#N)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl	524973534	ALYNBQGBHWYTIR-HIFRSBDPSA-N	404.341	5.707	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)c(F)c1	525140107	JMVAHVQDYRMUJU-MRXNPFEDSA-N	406.432	5.352	30	20	HKED	
COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	535611842	HWQBXMVBXSZDSC-ROUUACIJSA-N	411.571	5.432	30	20	HKED	
C=C[C@H](CC(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl)c1ccccc1	536244785	RWTKRFRUYZOJLI-GOSISDBHSA-N	418.924	5.915	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1	537224733	LZSDXZPBXNNRJZ-OAQYLSRUSA-N	407.554	5.175	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	538522644	HCSSAQAXVVYVDO-XMMPIXPASA-N	413.496	5.336	30	20	HKED	
Cc1cc(NC(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)nn1CCC#N	538616777	XQKCLRAMVXXQNJ-XMMPIXPASA-N	409.493	5.170	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1	541398893	PHOFCHPUUCKSPF-HSZRJFAPSA-N	418.585	5.050	30	20	HKED	
C[C@H](N[C@@H](Cc1ccccc1)c1cccs1)C(=O)N(CCC#N)c1ccc(F)cc1	541596663	CTYWPUMJGBSNCS-AVRDEDQJSA-N	421.541	5.096	30	20	HKED	
C[C@H](CC(F)(F)F)NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	556441659	FRYBMQBJJQWIIQ-MRVPVSSYSA-N	410.280	5.207	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	558505195	BWQBGDNCOUOSTP-UHFFFAOYSA-N	402.429	5.105	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1	566888436	KGEXYAQWUNKGBY-VXKWHMMOSA-N	422.912	5.178	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)N[C@H](CCC#N)c1ccccc1	574228481	SHWBSDHSRYGAKM-OXJNMPFZSA-N	403.448	5.323	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1ccc(-c2ccc(Br)s2)s1	575214329	AAJUVUUVASOTFS-OAHLLOKOSA-N	415.403	5.004	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c2ccccc12	579157526	YZYYANHLKJYAHS-SJORKVTESA-N	421.541	5.520	30	20	HKED	
CC(C)C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	583884217	NPJRBLBCYYSMJX-HXUWFJFHSA-N	410.949	5.089	30	20	HKED	
N#Cc1ccccc1/C=C\c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1	589155208	ZDKQFMKASJYXKL-HJWRWDBZSA-N	408.339	5.452	30	20	HKED	
C=CCn1c(Sc2nccc(C)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	605567736	VNRXHULVYSWDNR-UHFFFAOYSA-N	424.526	5.008	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CCCc2ccccc2)c1	608850240	LOGXAPIJAQKFCQ-UHFFFAOYSA-N	414.553	5.160	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)c2ccccc2)cc1	609081517	RPFAYNMDZSPWGU-NRFANRHFSA-N	423.419	5.079	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)CC(C)(C)C	609191911	CDTPVOZHTZSXCU-HNNXBMFYSA-N	419.978	5.405	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1	609253620	PUHGBRBJBDKJHP-HXUWFJFHSA-N	418.859	5.328	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1S[C@H](C)CC#N	609428126	AKGSZQZAYJPSSE-UONOGXRCSA-N	407.366	6.205	30	20	HKED	
N#Cc1cc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)nc2ccccc12	609893192	ODSLULLKPZRCAD-IBGZPJMESA-N	402.256	5.130	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4ccccc4F)CC3)s2)cc1	609902608	VZZQRTVBWPUFFW-UHFFFAOYSA-N	420.513	5.156	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C(F)(F)F	610331013	JENVVUWOUKLZBX-CQSZACIVSA-N	414.387	5.130	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)c4cccc(C#N)c4)cc3)o2)cc1	610363933	JUARHIMZBYGCTH-KRWDZBQOSA-N	408.461	5.075	30	20	HKED	
Cc1ccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2Cc2ccco2)cc1	610863330	GKJCDMFWFOJMKD-NRFANRHFSA-N	400.507	5.122	30	20	HKED	
N#C[C@@]1(F)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)C1	615661532	IECFITXPDPIEAP-LFRSYBKYSA-N	417.509	5.251	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	617504114	LUMOHUWSYPOILJ-JTQLQIEISA-N	400.372	5.488	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	617898108	DFHJNTPMTDVARA-AWEZNQCLSA-N	413.380	5.460	30	20	HKED	
C=CCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1nc(-c2ccccc2)cs1	641902225	JURAMBOSBUZWHI-UHFFFAOYSA-N	414.534	5.445	30	20	HKED	
COc1cc([C@@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OC(C)C	726459471	KQIJWOWHWXZXCU-CYBMUJFWSA-N	403.935	5.055	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1	726466152	FLCWFJRHMNFQFG-UHFFFAOYSA-N	420.925	5.581	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)c1	727401618	QLUQMNQVGUJMEL-UHFFFAOYSA-N	418.468	5.594	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2c(C)nc(SC)nc2C)c1	728181480	KHMPXBLYLNAQGY-UHFFFAOYSA-N	421.591	5.024	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)cc1	729189045	VDGVDBPSVRZDDY-OXQOHEQNSA-N	403.457	5.091	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(OCC#N)cc2)c(C)c1	729685349	LLEMCMALQGNMFX-UHFFFAOYSA-N	422.532	5.348	30	20	HKED	
N#CCOc1ccc(CNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)cc1	729969515	HOTRRLYAEGNQKU-JOCHJYFZSA-N	424.472	5.017	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl	730688555	ZBRKNHZURCQHNZ-BXUZGUMPSA-N	409.700	5.173	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	731331651	NHADVRNVDXOJHI-UHFFFAOYSA-N	408.417	5.167	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Oc3ccc(NC(=O)C4CC4)cc3)cc2)cc1	732057560	JDHOUGFOQUJDEX-UHFFFAOYSA-N	412.445	5.113	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1	733773206	VIVSMBWWIORRNG-NJAFHUGGSA-N	403.309	5.094	30	20	HKED	
C=CC[C@H](NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1ccncc1	734503560	KIZAWHSFEPVQED-NRFANRHFSA-N	414.914	5.123	30	20	HKED	
COc1ccc([C@H](NCc2cc(Cl)ccc2OCC#N)c2ccc(F)cc2)cc1	735309556	OWCIQDPBGNDMNX-HSZRJFAPSA-N	410.876	5.269	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)c1	741494662	BRXDHMQLKIUDKX-QFIPXVFZSA-N	406.938	5.406	30	20	HKED	
Cc1cc([C@H](NC(=O)c2ccccc2OCC#N)c2ccccc2Cl)ccc1F	741649540	FOQUIXMYVQWQFL-QFIPXVFZSA-N	408.860	5.209	30	20	HKED	
Cc1cc(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)ccc1Oc1cccnc1	741845450	WQJDSBHLHYOIRM-XFFZJAGNSA-N	420.472	5.444	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)no1	743237527	AVRPVYQPZZECGE-LJQANCHMSA-N	406.417	5.155	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c[nH]c2c1	745948011	SHGZHQZODHDNFM-MRXNPFEDSA-N	414.292	5.063	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)noc1C(F)(F)F	746214070	XAUUMJRKAXNCBR-UHFFFAOYSA-N	415.371	5.013	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc1	746593377	LIQNDXZEEXEIGB-UHFFFAOYSA-N	415.440	5.698	30	20	HKED	
CCN(C)Cc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	747307357	ZFRBIAXKDOCLGX-VWLOTQADSA-N	412.537	5.115	30	20	HKED	
Cc1nc(C(C)C)nc(O)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	747360465	NZDYDHFJTWAQOF-SFHVURJKSA-N	420.900	5.175	30	20	HKED	
CCCCOc1ccc(C=NO[C@@H](C)c2nnc(-c3cccs3)o2)cc1OC	748098285	ZPGUNONUFKQLNA-AWEZNQCLSA-N	401.488	5.097	30	20	HKED	
CC[C@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	749030174	VVQBVNZAFTVFLW-SJCJKPOMSA-N	416.424	5.261	30	20	HKED	
CC(C)n1cc(C(=O)/C=C\c2cnc(-c3ccc(Br)cc3)s2)cn1	751533180	BCQNXWLRHZDFLU-FPLPWBNLSA-N	402.317	5.246	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C1	753159605	NIXDQENAASLFRV-JOCHJYFZSA-N	407.564	5.354	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3ccc(C)cc3C2=O)cs1	753900319	NIASUFWCOFTXAH-SFQUDFHCSA-N	406.482	5.488	30	20	HKED	
CN(Cn1nc(-c2cccs2)n(C2CC2)c1=S)c1cc(Cl)ccc1C#N	754766184	VECSDQXKYYNEAS-UHFFFAOYSA-N	401.948	5.096	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	757706165	XJOUNTNZWHAHJK-UHFFFAOYSA-N	420.852	5.108	30	20	HKED	
CCCn1nc(C)c(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)c1C	759653624	PUSNBAJVFKYKJL-FPLPWBNLSA-N	400.372	5.009	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2sccc2c1	761038886	NWCKFPLGYFUYAZ-HNNXBMFYSA-N	402.447	5.177	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	761655243	JPKUMKHEHAQOFA-IBGZPJMESA-N	415.877	5.354	30	20	HKED	
C[C@@H](CCCc1ccccc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	776074330	KFZKAXXGIHQLCL-MAUKXSAKSA-N	419.550	5.111	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C	776864405	IJWBIOGPCMIOJR-UHFFFAOYSA-N	410.539	5.515	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(F)cc4F)CCC3)n2)cc1	777308962	IBSJQGUJXPPXAF-KRWDZBQOSA-N	424.472	5.395	30	20	HKED	
Fc1c(F)c(F)c(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(F)c1F	778994371	DQAVMSCXGVHTDY-AWEZNQCLSA-N	421.234	5.377	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2/C=C\c2ccccc2)c1=S	779890034	SSHXPPRFMRDEET-YRBAHSOBSA-N	417.582	5.187	30	20	HKED	
CO[C@H](C)c1nc(COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cs1	783542443	KWQAKZAFPAMKOA-CYBMUJFWSA-N	412.442	5.011	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	789888584	JQJHTGYKNDPRKD-IBGZPJMESA-N	400.563	5.657	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C[C@H]1C2(Cl)Cl	791209893	UTDLKIABTHAQGY-TZIWHRDSSA-N	415.320	5.201	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	796671576	LGBFDPBJABGYRX-CVDCTZTESA-N	412.489	5.631	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3ccccc3[C@@H]2C)cs1	809158673	BSFKZZMRPUZFBR-GHOUAXAESA-N	408.910	5.865	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(F)c(Br)c2)ccc1OC(F)F	810248222	QHDPLXNICLTWDS-QHHAFSJGSA-N	401.178	5.094	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2c(F)ccc(C3OCCO3)c2Cl)cc1	812842836	VVDMJMGTPZAKHT-UHFFFAOYSA-N	422.887	5.353	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)c1cc(C(F)(F)F)ccn1	813218472	WFNIHIQPNIYONH-DENIHFKCSA-N	421.422	5.081	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(OCc2cc(C#N)ccc2Br)c1	864046835	ZMUGQMKKSRNUIP-UHFFFAOYSA-N	403.276	5.247	30	20	HKED	
N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1	915101901	JTJIOYNDDYZFSR-QFIPXVFZSA-N	424.525	5.793	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc2ccc(F)cc12	916887119	MIXNXBOCWWKEJV-OAHLLOKOSA-N	418.396	5.156	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1sc2ccccc2c1Cl	916943465	XMGKCLGJYGEAFP-ZDUSSCGKSA-N	423.708	5.823	30	20	HKED	
N#C[C@H](C(=O)CSc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	916977477	SIWAAHAQZOTTHD-CQSZACIVSA-N	419.358	6.085	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc(-c2ccccc2)cs1	917025473	LPHZBXNAYVONTL-HXUWFJFHSA-N	408.482	6.128	30	20	HKED	
C/C=C\c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(OC)c1	917026288	YFWSVPKDRKGTMM-BKSIFSGMSA-N	404.491	5.107	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C\c3csc(COc4ccc(Cl)cc4)n3)ccc2N1	918713665	MEYUOITVFZNLEJ-UITAMQMPSA-N	424.909	5.156	30	20	HKED	
Cc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)c1	920140381	FPRITKWPGNTWKO-GOSISDBHSA-N	403.532	5.267	30	20	HKED	
Cc1csc(Nc2cccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)c2)n1	920270242	FLLRMFIILDDTLZ-UHFFFAOYSA-N	403.467	5.011	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1	1789622551	OUSRCKMTLYACFQ-KRWDZBQOSA-N	418.528	5.548	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	44525659	GTJLNFVVHOSAGT-RKDXNWHRSA-N	403.294	5.197	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	48830217	MUYQQZVYJJEWIU-CQSZACIVSA-N	402.397	5.328	30	20	HKED	
C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccccc1	54901552	YDTHZWBPIXBISK-UHFFFAOYSA-N	418.566	5.050	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)/C=C/c1nc2ccccc2s1	72025241	RJZKVVJAARYUAB-OUKQBFOZSA-N	411.486	5.921	30	20	HKED	
CCc1ccc(-c2noc(CNc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1	117566270	MNMLLBVFHNGBDD-UHFFFAOYSA-N	410.477	5.362	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)/C=C\c2ccccc2C#N)c1	207115811	KUFUWQFPWJIALA-CNNWTFKKSA-N	423.516	5.320	30	20	HKED	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(CC#N)c2ccccc2)c1	216754253	IXOYKJMCVBRULW-UHFFFAOYSA-N	410.452	5.157	30	20	HKED	
COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl	255936752	HMHMSIGGTNWUOX-UHFFFAOYSA-N	408.910	5.765	30	20	HKED	
CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCCCCCC1	303039693	RYLYUAVNBGTSOB-UHFFFAOYSA-N	405.542	5.908	30	20	HKED	
CC(C)c1ccc(N2CC[C@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)C2=O)cc1	303969420	ZMUGOYDIVMXXLI-YLJYHZDGSA-N	421.566	5.196	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	409945597	GBCYDUBWQSJBPH-OAHLLOKOSA-N	417.336	5.114	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=O)c1cccc(SCC#N)c1	429943464	NLNVHOUTBQWHBD-UHFFFAOYSA-N	403.345	5.117	30	20	HKED	
N#CCCC[C@@H](NCc1nc(-c2ccc(Br)s2)no1)c1ccccc1	433013497	XOLPRXZMGISJDG-CQSZACIVSA-N	417.332	5.085	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)CN[C@@H](CCCC#N)c3ccccc3)c2)cs1	433013884	PWGNGCRMEZDKPJ-NRFANRHFSA-N	404.539	5.082	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	434133468	SVUUNAGDCGYLJZ-JNKARSBBSA-N	408.489	5.780	30	20	HKED	
C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)c1	438673474	ULQRKQQJDNLVFO-UHFFFAOYSA-N	410.539	5.004	30	20	HKED	
C=CCN(C(=O)c1cccc(-c2cscn2)c1)c1nc(-c2ccccc2)cs1	443812691	FYPGAESFCCSJFE-UHFFFAOYSA-N	403.532	5.766	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	444025603	QMCDQOGSCJZMGD-OAHLLOKOSA-N	401.310	5.392	30	20	HKED	
CCOc1ccc(CN(C(=O)CC(C)(C)C#N)c2ccc(OC)c(Cl)c2)cc1	447123398	SZKARDFRTOAIIC-UHFFFAOYSA-N	400.906	5.220	30	20	HKED	
COc1cc(C#N)ccc1CN1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1	447397371	ZTVARNZPANOSSE-IBGZPJMESA-N	419.550	5.079	30	20	HKED	
C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(F)(F)F)CC1	460792011	HEVOPNVFGJKHSL-UHFFFAOYSA-N	417.479	5.095	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C(F)(F)F)nc3C)n2)cc1	464184906	FVUKIGCLXXRMAP-GFCCVEGCSA-N	407.442	5.392	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)s2)c(C)c1	464415328	VNSVLJWOLDUPQQ-MRXNPFEDSA-N	415.440	5.639	30	20	HKED	
Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	466213091	YRUIYKGRPIMKBZ-GOSISDBHSA-N	417.509	5.376	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	468973053	OZZJNLAHLFAJCP-INIZCTEOSA-N	413.443	5.797	30	20	HKED	
CCSCc1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)no1	472523193	UUNVGLMGVIDEKV-UHFFFAOYSA-N	409.486	5.094	30	20	HKED	
Cc1cc2occ(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2cc1C	473488342	JIDWLSHBNSDNNE-HNNXBMFYSA-N	417.490	5.129	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	474528049	PKGQGRAGIGFLER-QHCPKHFHSA-N	416.912	5.094	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1C1CCCC1	474966764	DBGULFMLFAHZAB-GOSISDBHSA-N	420.538	5.183	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	476067157	ZXFWXAHYALWRQH-JHOBJCJYSA-N	416.546	5.162	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1	477108525	BHBNFGWKMVCZFV-LLVKDONJSA-N	409.736	5.749	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1	479217377	OZWWAODSLDCLRJ-MRXNPFEDSA-N	416.959	5.003	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccccc1SCCC#N	481817699	ZZDSCTMTYZYDLO-CYBMUJFWSA-N	421.335	5.411	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1cnc2ccccc2n1	483225099	DJXIHLLPNKESFY-NRFANRHFSA-N	419.440	5.445	30	20	HKED	
CCc1cc(Br)cc2sc(NC(=O)c3c(F)cc(C#N)cc3F)nc12	484778406	UHJCMWVDGHJFRK-UHFFFAOYSA-N	422.254	5.023	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C	486245992	SXKUMDXSDQNIPD-SFHVURJKSA-N	408.567	5.540	30	20	HKED	
Cc1cc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)ccc1C#N	488133494	LEDWWKOUNFKBPM-UHFFFAOYSA-N	412.533	5.241	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1Cl	491844543	GQXQOTPGNHMTJM-JIJWMCLMSA-N	423.944	5.058	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	495081870	VUZLNVMCXQOBKP-UHFFFAOYSA-N	411.461	5.141	30	20	HKED	
CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	499319471	GYVGPOSHCXOELM-HSZRJFAPSA-N	419.912	5.868	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	500759600	PYUMNKKIRLOZNB-KRWDZBQOSA-N	418.518	5.787	30	20	HKED	
CC[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1OC(F)F	502304661	JTJSRMTXFVOTEI-FQEVSTJZSA-N	411.452	5.110	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(-c2cccs2)on1	503966117	NKXQAGOVNRYMJK-UHFFFAOYSA-N	401.447	5.628	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([C@@H]4CCCOC4)cc3)n2)cc1	505716375	HIUQMHKROYIRLH-CTNGQTDRSA-N	418.518	5.203	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccco4)s3)n2)cc1	510769141	ZVKXUYFAXNANTI-AWEZNQCLSA-N	407.476	5.025	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cccc(Cl)c1	510906169	KTQAJLQBOXYKSX-UHFFFAOYSA-N	405.885	5.976	30	20	HKED	
C[C@@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(C#N)cc1F	512655171	SAUWEQFIMSXNEF-LJQANCHMSA-N	410.496	5.460	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1	512790882	UHIMCGXAGVGAOE-SNVBAGLBSA-N	405.310	5.780	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	513208939	CKRLYQDYISRZPK-IBGZPJMESA-N	413.521	6.222	30	20	HKED	
CC(C)N(Cc1cccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	513999764	PVXIWQACTPVMEJ-UHFFFAOYSA-N	419.550	5.836	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc2ccccc2n1C(F)F	515540502	YMGNEOXQBRSYAI-HNNXBMFYSA-N	421.428	5.214	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	515691729	WSJLSTCWPHBNKI-KUHUBIRLSA-N	401.491	5.134	30	20	HKED	
Cc1csc(CCCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1	517367127	BMJFUIOKQXBQAP-UHFFFAOYSA-N	409.486	5.007	30	20	HKED	
CC(C)c1nc(CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cs1	518046653	UKQXDAVZAWUYTB-UHFFFAOYSA-N	409.486	5.042	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(C)(C)C)cs1	518362326	UMKOOPMSIIYOKI-MRXNPFEDSA-N	419.550	5.790	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCc3ccccc32)cc1	518765915	UTXJSUUVKCDCJO-JOCHJYFZSA-N	412.558	5.700	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccco1	519451279	XGSNULGSJAZIBV-AEFFLSMTSA-N	401.532	5.067	30	20	HKED	
CCO[C@@H](c1noc(-c2cccc(CC#N)c2)n1)c1ccc(F)cc1C(F)(F)F	519670551	NWQQWLKNMAMKBJ-QGZVFWFLSA-N	405.351	5.086	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C	520049552	WUQQONUHHAGXCX-SFHVURJKSA-N	411.571	5.291	30	20	HKED	
Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	520730499	UBGKOWRLLABFOL-IBGZPJMESA-N	400.453	5.428	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc2ccccc12	520819389	YISBJCOHYATPDV-MSOLQXFVSA-N	420.603	6.667	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C	521242899	AIUYYTNNGXRYOU-UHFFFAOYSA-N	401.554	5.004	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(C#N)cc1	522435485	SMSQXQHRYGBUFT-GOSISDBHSA-N	412.468	5.042	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc3ccsc3c2)cc1	525144401	OYOFQKBJLCGXFO-UHFFFAOYSA-N	401.466	5.150	30	20	HKED	
N#CCC[C@@H](NCc1ccc(Br)c(Br)c1)c1ccccc1	533038389	NCKAFXSGVQCWKJ-QGZVFWFLSA-N	408.137	5.346	30	20	HKED	
O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCCC1	535542482	JOGFWABHKJWLDQ-UHFFFAOYSA-N	415.324	5.120	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cc1	540431367	YMAWLHQORGPTLD-IBGZPJMESA-N	412.415	5.424	30	20	HKED	
C=CCCC[C@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	540541060	HOVVYXHTPVQCAR-ZDUSSCGKSA-N	409.408	5.417	30	20	HKED	
N#CCc1ccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)cc1	543144020	RIEVPTUKNYPLMM-UHFFFAOYSA-N	404.470	5.084	30	20	HKED	
Cc1nnc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	546130779	XQJWHTZVSDODQE-PXAZEXFGSA-N	411.918	5.038	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(OC)c(OC2CCCC2)c1	557601695	IMSKDLTXCDAQTF-UHFFFAOYSA-N	411.546	5.013	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)cc1	558331176	YVXCRMJPHIXDBX-GBXCKJPGSA-N	417.553	5.506	30	20	HKED	
N#Cc1ccc(CNCc2ccccc2COCc2ccccc2)c(C(F)(F)F)c1	563655325	HGDDOOMIJGIMLW-UHFFFAOYSA-N	410.439	5.584	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C2CC2)no1	570951051	SBHPHRVWTFTYKL-HXUWFJFHSA-N	417.469	5.130	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2ccc(C#N)c(Br)c2)c1C	576429209	MAIRXEMMKXWUDO-UHFFFAOYSA-N	414.122	5.014	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCCc4occc4C3)cc2Cl)c1	578998313	OOEIWDKMPOEFMO-UHFFFAOYSA-N	421.884	5.364	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccc(NC4CCCCC4)cc3)CC2)c(F)c1	586762431	JUMJKCASLAVXLI-UHFFFAOYSA-N	420.532	5.297	30	20	HKED	
CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589363813	PUYCEFVHJKGKIO-UHFFFAOYSA-N	408.461	5.563	30	20	HKED	
Cc1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c2c(C)noc2n1	603532756	QHIYKSOINUGTGH-UHFFFAOYSA-N	414.440	5.006	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	603660088	IHQMIBYCCRIVMK-MRXNPFEDSA-N	420.538	5.275	30	20	HKED	
CCCCOc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(C)c1	604198988	WRZJKWJLWBKQGR-UHFFFAOYSA-N	404.466	5.470	30	20	HKED	
CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604499446	ATEQUXYZYZDKCD-JOCHJYFZSA-N	400.482	5.751	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1Oc1cccnc1	604523251	OPFIOAZUOYTTCU-UHFFFAOYSA-N	421.456	6.099	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(CSc3ccccc3)cc2)c1	609068655	XYKQROYPPNUWSO-UHFFFAOYSA-N	410.445	5.704	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3c(O)n2)cc1Cl	609163872	BILQPRWYDWHLCT-FQEVSTJZSA-N	413.864	5.502	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1	609398563	BLISAIJTPQEBGP-XQFWAAQXSA-N	423.582	5.570	30	20	HKED	
Cc1cc(C)c2nc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)sc2c1	609497237	UXXDCBNHEXYYMP-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
C[C@H](NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cccc(C#N)c1	610362959	IBFNFLRZWNLSOH-NYHFZMIOSA-N	408.473	5.547	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C1CC1	611086396	KJCURWDWHRNKEB-HNNXBMFYSA-N	407.564	5.232	30	20	HKED	
CCC1(O)CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	611316907	VZXKGSDWLTYLNH-WEQDKIBNSA-N	411.933	5.201	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(Cc3nc4cc(Cl)ccc4s3)no2)cc1	615130912	DBPGMCCYYUVEOA-KRWDZBQOSA-N	421.913	5.137	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)s1	642077211	IYWOQQPMAQOIJE-UHFFFAOYSA-N	420.509	5.572	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cc1	726913546	JIALULMIUOKAMZ-CLJLJLNGSA-N	410.517	5.981	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccccc2C)n1	727628786	YUJJLMINGJDJES-LJQANCHMSA-N	417.534	5.205	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)cc1OC	728498850	LSFLCIXMTGORDA-KONDSOJQSA-N	405.416	5.035	30	20	HKED	
COc1ccc(-c2ccc(C(=O)N(CCC#N)c3ccc(C)cc3)c(F)c2)c(F)c1	730534529	WXFVMONKTNNYMS-UHFFFAOYSA-N	406.432	5.509	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](O)c1ccc(F)cc1	732412938	FEKYIMWLGDIJIB-PSLIRLAXSA-N	424.316	5.107	30	20	HKED	
Cn1nc(-c2ccccc2)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Cl	734743649	CKFPBULQXWAWQU-UHFFFAOYSA-N	423.782	5.114	30	20	HKED	
Cc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	734963382	HALGKKLANDUZPI-RDTXWAMCSA-N	402.466	5.151	30	20	HKED	
CCN(C(=S)Nc1ccc(OC(F)F)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1	735623602	OSMYNPBIJXPQEJ-GFCCVEGCSA-N	409.889	5.593	30	20	HKED	
Cc1cccc2c(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c12	741438595	RGLOTYIWNHSLQV-HNNXBMFYSA-N	407.445	5.297	30	20	HKED	
Cn1cc(/C=C\C(=O)c2c(Cl)nc3sccn23)c(-c2cc3ccccc3o2)n1	741844466	PHZCIIADOVCFML-SREVYHEPSA-N	408.870	5.092	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(-c2c(F)cccc2F)cs1	744073240	BNVXLOGYJKUXNT-MRVWCRGKSA-N	416.399	5.346	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)COc2cccc(C#N)c2)c(C(F)(F)F)c1	748656503	IENIQFUIKMESFW-CYBMUJFWSA-N	408.445	5.485	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](CCO)c1cccs1)c1ccc(C(F)(F)F)cc1	750311873	BGIZZVXRTNUWLQ-DLBZAZTESA-N	412.477	5.197	30	20	HKED	
CC[C@@H](Oc1ccccc1C)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	750691291	LNKPABAZIBATDU-UYAOXDASSA-N	406.507	5.161	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1	750991178	QVVPNOZANMFTJS-OIBAJTQMSA-N	401.579	5.597	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1cnc(-c2cccs2)s1)C(=O)c1ccccc1	751512794	AMUYTGZIMBNCIP-LDADJPATSA-N	417.515	5.172	30	20	HKED	
COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1F	755611938	VHJDYBOEKLUMCK-DPQIITEBSA-N	400.862	5.377	30	20	HKED	
N#CC(CCOC(=O)c1csc([C@@H]2CCCO2)n1)(c1ccccc1)c1ccccc1	756456888	ANPXHORBGGVICJ-NRFANRHFSA-N	418.518	5.051	30	20	HKED	
C=CC[C@H](NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)c1ccncc1	764364945	ZVASMQMQCICYIR-FQEVSTJZSA-N	401.432	5.217	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@H]2c2cccs2)c1=S	764861714	ZVDSQIMQVGTBJX-SFHVURJKSA-N	412.584	5.132	30	20	HKED	
O=C(Nc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1F)c1cccc(Cl)c1	766007809	CBRHQXCNTKHDQY-UHFFFAOYSA-N	413.792	5.096	30	20	HKED	
N#C[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	768175269	NXQMDTDECGIMES-QGZVFWFLSA-N	404.388	5.568	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1	769247713	ITMTWCQSPLTKCT-KXBFYZLASA-N	417.431	5.755	30	20	HKED	
CCCc1c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1-c1cccc(C)c1	770653353	NLYGQLICFJFLJA-KRWDZBQOSA-N	403.486	5.068	30	20	HKED	
CN(C(=O)Cc1ccccc1CC#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	776988545	HKCCONTUNUCZMK-XMMPIXPASA-N	406.888	5.336	30	20	HKED	
C=CC[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	778608094	WWHKTIONPJFCOK-JKSUJKDBSA-N	400.425	5.851	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)c1	780725914	KMWHRYGQXDBWHS-YSZBQJHXSA-N	421.541	5.168	30	20	HKED	
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCCCC(C)(C)C#N	781821992	BUDHZLNQXLGOBR-KRWDZBQOSA-N	413.345	5.011	30	20	HKED	
CCCc1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cnn1-c1cccc(C#N)c1	783953418	WCCSJAXPLGWIDM-UHFFFAOYSA-N	420.929	5.030	30	20	HKED	
N#Cc1ccc(CCC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	792750972	ZWRYTOWZUOILNL-UHFFFAOYSA-N	412.449	5.088	30	20	HKED	
Cc1c(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)sc2ccc(C#N)cc12	794433152	JKJPSMGPXLOAMV-UHFFFAOYSA-N	421.522	5.358	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794708246	QRHYJGLOVPFACJ-BJMVGYQFSA-N	402.420	5.181	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1	794840990	BOQBNNWHHSRFKO-UHFFFAOYSA-N	405.350	5.629	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)NCCSc1ccc(Cl)cc1	795139647	PEJASYQLCOUEPV-UHFFFAOYSA-N	423.051	5.162	30	20	HKED	
Cc1ccc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)csc2c1	796630370	CSCCYESRXJCUEW-HNNXBMFYSA-N	416.474	5.486	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1nc(O)c2c3c(sc2n1)CCCC3	796752821	JUIQAPURYXDOKN-KLZNWCGWSA-N	409.555	5.058	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)s1	797566540	NCYUDPIQJYHJOX-ZNMIVQPWSA-N	408.445	5.319	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1	805438630	RWOYGZFPTMRAKI-UHFFFAOYSA-N	406.960	5.644	30	20	HKED	
C[C@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)cc1	806424856	XHARBQVYURZPQY-LAUBAEHRSA-N	421.541	5.028	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1cc(Br)cc(Br)c1	808402009	BSUNMIIWRUQDBP-LLVKDONJSA-N	410.109	5.115	30	20	HKED	
C#C[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)c1ccc(Cl)cc1	812353955	DNFSNANFCBDFIR-NRFANRHFSA-N	420.871	5.144	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C=NNc3ncccc3C(F)(F)F)c2Cl)cc1	915050601	WJDNHNCKRRWOLA-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc1	916050828	JJGAURJRYMJNBC-XMMPIXPASA-N	405.457	5.782	30	20	HKED	
COc1cc(Br)c(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1O	916137209	MLJYYAPHTADGJA-AATRIKPKSA-N	401.178	5.078	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)c1	916896640	NFRRQUZGLBBTFQ-CQSZACIVSA-N	403.290	5.478	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(s1)CCCCC2	916927429	JJPDWIJDRAFRGZ-ZDUSSCGKSA-N	407.322	5.285	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C3CCCCC3)CC2)cc1	919911259	JZZWOSADSLRPTI-UHFFFAOYSA-N	409.574	5.325	30	20	HKED	
CC(C)CN(CCC#N)Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S	919945257	ZKPAHAPEHLDUAS-UHFFFAOYSA-N	411.600	5.020	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1	919977423	XVLASGOWOXWBNE-UHFFFAOYSA-N	411.486	5.632	30	20	HKED	
Cc1sc2ncn(N=Cc3cnc(C(C)(C)C)s3)c(=O)c2c1-c1ccccc1	920364367	UEPVTHNGZDJOGF-UHFFFAOYSA-N	408.552	5.070	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccc4F)CCC3)cc2)C1	1785803258	GLKWNPXZUARNJR-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]c(C)cc5c4)CCC3)cc2)C1	1785810271	JTXJRIMWFNXXQV-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2C)CC1	1829066278	ZNOVJNFIPCQVPZ-FQEVSTJZSA-N	416.631	5.282	30	20	HKED	
O=C(O)C1(/N=C(\c2ccc(Br)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1	1857777147	YKXUGYSINCCLFZ-RIXYSHQMSA-N	418.718	5.313	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C)c(C)c2)cc1	11162811	LWBIQNCZJUCHRS-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)s1	22693397	KRFLZVCHXQUWGR-UHFFFAOYSA-O	403.552	5.548	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2	22804265	LRWAJHISAQILOD-UHFFFAOYSA-O	422.401	5.098	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccc(C)cc3)n2)nnc1-c1ccoc1C	30547540	VJFXIDTULRKRMW-UHFFFAOYSA-N	423.567	5.833	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2n1C(F)F	41558408	TTYDTMBFVAOOLT-GFCCVEGCSA-N	412.377	5.044	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2CN(CC)C(=O)OC(C)(C)C)cc1	58403441	WZRRWUABFMBZMJ-UHFFFAOYSA-N	410.514	5.261	30	20	HKED	
CCN(Cc1csc(-c2ccc(OC)cc2OC)n1)[C@H](C)c1ccc(C#N)cc1	60469682	SQBULCLBJXAGBP-MRXNPFEDSA-N	407.539	5.282	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1	65621993	DPWADJIEPBWOFZ-UHFFFAOYSA-N	412.276	5.279	30	20	HKED	
COc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	65655697	NYGDMWZITDJAEE-GFCCVEGCSA-N	404.825	5.240	30	20	HKED	
Cc1ccccc1N(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1nc2ccccc2s1	69088900	GYXBSYFJGTVPFM-QGZVFWFLSA-N	413.502	5.609	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)cc(OC)c1OC	207090444	OFOWKFHOTLTSCT-NTMALXAHSA-N	421.474	5.478	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](c3ccccc3)c3nccs3)c2)cc1	303237254	YHYJTILKOOLUAS-JOCHJYFZSA-N	411.486	5.326	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccnc3ccccc23)cc1	303668839	JCZAREJIVVWSQL-SDNWHVSQSA-N	419.484	5.532	30	20	HKED	
CC[C@H](CC#N)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	427474602	UHTUFNBEFBTCFX-MTMYEVCSSA-N	405.523	5.044	30	20	HKED	
Cc1cccc2c1CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CC2	429749524	RGFHHZOYUYZCHK-UHFFFAOYSA-N	415.468	5.175	30	20	HKED	
C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N[C@H](CCCC#N)c1ccccc1	431856940	XAAIUSDCJDBLGO-QFBILLFUSA-N	419.447	5.207	30	20	HKED	
CN(Cc1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1	433667602	RHSHTYRSEFWVJW-RSXGOPAZSA-N	424.548	5.627	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSCc3cscn3)c2C#N)C1	437363131	DLBKWCUHARFPQZ-LBPRGKRZSA-N	405.614	5.099	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	438036627	HMQJOAJQULWWNO-RCZSKKKRSA-N	407.583	6.189	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(COC2CCCC2)cc1	438304056	UBXPBUQPFFWCAG-ZEQRLZLVSA-N	403.526	5.449	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(CCC(F)(F)F)cc1	440368783	UNFPCQHIYCIKRU-CQSZACIVSA-N	407.461	6.077	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1	442876228	UWIAIMFQQQMXKT-HXUWFJFHSA-N	423.497	5.994	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)c2o1	443529914	IDSSRMDTKGJAPV-CQSZACIVSA-N	408.255	5.179	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H](C)c1cccc(O)c1	460377989	VMXNDBLNFQBQDO-IRXDYDNUSA-N	410.493	5.036	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1ccc(C)cc1	460588679	YISZSWWVYDXROG-NRFANRHFSA-N	418.541	5.188	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccc(C#N)cc2)cc1	461530033	BQXLYNXGHZZRJW-UHFFFAOYSA-N	409.489	5.311	30	20	HKED	
CN(Cc1cn(C)nc1C(F)F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	462910965	SNNRDGNDIXUZGE-ZDUSSCGKSA-N	401.301	5.112	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	462923069	KFLREFZTHUNBCR-RDGATRHJSA-N	412.489	5.309	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2c(F)cccc2F)c1)c1cc(C(F)(F)F)ccn1	464419395	DQJGCRWEPGVXGG-OAHLLOKOSA-N	402.322	5.536	30	20	HKED	
COc1cccc(OC)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	464922035	PINUYYQNWXSBJP-HXUWFJFHSA-N	420.896	5.194	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)cc1	464957185	XFGVPTVHCUDQDD-JWQCQUIFSA-N	407.473	5.263	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	468405588	OEDCTMRVNCEOMU-OAHLLOKOSA-N	409.301	5.188	30	20	HKED	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	468784845	CEFAJRRLEJTTOK-OAHLLOKOSA-N	420.444	5.073	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](c2ccsc2)O1	470695522	CCFIKQXUTIZLAE-UZLBHIALSA-N	420.559	5.373	30	20	HKED	
CSc1cc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c(Cl)cc1Cl	471309038	YYWKHMBRHVJKNI-UHFFFAOYSA-N	403.294	5.025	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(SC)c(Cl)cc2Cl)cc1	471402295	ZABWGBPFAVPQMK-UHFFFAOYSA-N	410.326	5.275	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)o1	472687578	RBIHXPHJLHVDBM-FPOVZHCZSA-N	423.900	5.406	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)c1C#N	474866701	DVLNCYKCZVKNPH-OAHLLOKOSA-N	414.534	5.106	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1Cn1cnc2ccccc21	475547078	NRJDFDZJJPPSLR-FQEVSTJZSA-N	402.542	5.585	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](OC(C)C)c1ccccc1OC	475567631	LELUQBXIDVQJRH-QHCPKHFHSA-N	410.558	5.835	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1(N2CCC(OC)CC2)CCCC1	475579314	VGLHCMZIJAWQBN-UHFFFAOYSA-N	413.606	5.084	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(-c2cccnc2)cc1	476458298	MBGXIFPKJHUEIE-LQGLAIQGSA-N	410.521	5.291	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccc(F)cc1	476724747	DGKZAJRBJLDCHV-LLVKDONJSA-N	421.419	5.051	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1nc2ccccc2o1	478092980	SBRAFXHEVIYFQX-LLVKDONJSA-N	409.161	5.099	30	20	HKED	
CC(=O)Nc1cccc(Nc2nnc(SCc3ccc(Cl)cc3C#N)s2)c1	479204011	YIQHMRWBUJSVRV-UHFFFAOYSA-N	415.931	5.057	30	20	HKED	
C=C(C)Cn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccncc1	481379696	XLQQOQDTESNSFJ-UHFFFAOYSA-N	423.929	5.517	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCc4ccccc43)cc2F)c1	481599538	RYSZLTDAQUTCHB-JOCHJYFZSA-N	401.441	5.085	30	20	HKED	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	483372858	FEMWHWQPDRNXNP-UHFFFAOYSA-N	413.477	5.050	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1	483447170	JCERFMFFFRRYPT-HXUWFJFHSA-N	415.497	5.297	30	20	HKED	
Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)C[C@@H](CC#N)c2ccccc2)n1	484275512	MCBFGXZGILZWHP-OAHLLOKOSA-N	414.387	5.090	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)cc2)cc1	489821416	RCXUAOGPBZMPQH-RDPSFJRHSA-N	413.477	5.250	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ncc(Cc4ccccc4F)s3)CC2)cc1	496343738	JRYMEFUIYRPPEZ-UHFFFAOYSA-N	418.497	5.066	30	20	HKED	
CC(C)CN(C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)c1ccc(C#N)cc1	499306807	BIZPAVOFWJKEDS-UHFFFAOYSA-N	416.525	5.353	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1	503224349	IFXAFGAYHQMERI-IBGZPJMESA-N	422.598	5.209	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)n1	505428314	LIUBDQHAAPLWHR-OAHLLOKOSA-N	421.407	5.095	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)cc1OCC(F)(F)F	505561505	HUYBIQKMGDZKKQ-ZDUSSCGKSA-N	409.301	5.442	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1Cl	505631038	CEJAAPHZBADVDF-NRFANRHFSA-N	413.864	5.657	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	505686316	NSYMQAGDQACNRQ-HOTGVXAUSA-N	418.415	5.666	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1	506005560	ZDFHHENIPWYBIO-CYBMUJFWSA-N	413.518	5.121	30	20	HKED	
Cc1c(C#N)cccc1C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1	509333970	XVOMBWJVSYVMFV-MRXNPFEDSA-N	411.221	5.053	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)NCc1cccc(C#N)c1	509342430	ILRMVWUUTYMJSR-UHFFFAOYSA-N	407.514	5.546	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CSc4ccc(C#N)cc4)nc(O)c23)cc1	509635353	NGDMDHAYDVJKBY-UHFFFAOYSA-N	403.532	5.845	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N[C@H](C)c1ccc(F)cc1	510184658	XTCIWYMZYUEMCS-HZPDHXFCSA-N	405.498	5.117	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1CCCN(C2CCC2)C1	512711322	GRLSNSANDGNRRV-QUCCMNQESA-N	418.541	5.125	30	20	HKED	
O=C(NC1CC(C(F)(F)F)C1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	513371718	MAKLFLWTWNOLIU-UHFFFAOYSA-N	412.349	5.017	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1	517517828	KLWZEHRRMSMUEP-QGZVFWFLSA-N	423.582	5.137	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)c3ccccc3-c3ccccc3C#N)cc2)cs1	520008301	MEANYQOLLMRERP-UHFFFAOYSA-N	409.514	5.587	30	20	HKED	
C[C@@H](C#N)CNC(=O)c1sc2ccccc2c1CSc1ccccc1Cl	520359731	VXZCSBDUBJHENX-ZDUSSCGKSA-N	400.956	5.736	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	520489563	WMRSEHDURBLVSG-UHFFFAOYSA-N	417.431	5.472	30	20	HKED	
C=CCn1c(SCc2ncc(C3CC3)o2)nc2scc(-c3ccccc3)c2c1=O	534056030	YIZIAXWOPMNTQM-UHFFFAOYSA-N	421.547	5.469	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ncccc3OCc3cccc(Cl)c3)cc2)CC1	539653393	AVZPDAUUNRXQPW-UHFFFAOYSA-N	403.869	5.121	30	20	HKED	
COc1ccc(/C=C/c2nc(C(=O)O)c(-c3ccccc3)s2)cc1OCCCC#N	544641555	LIGDTTHQNPYIMZ-ZRDIBKRKSA-N	420.490	5.370	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ncsc1C(F)(F)F	549294590	OJVNTRZAZWXPJE-SECBINFHSA-N	422.272	5.214	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(CSC(C)C)c1C	554470153	UATLIXAMNMYXBL-UHFFFAOYSA-N	414.619	6.024	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC(n3c(O)nc4ccccc43)CC2)cc1	557813646	AMPYBHLKJSBPRX-UHFFFAOYSA-N	408.505	5.118	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCSC[C@@H]3c3ccccc3)cc2)ccn1	576867709	RWKFFWBGZHRUSG-JOCHJYFZSA-N	416.506	5.068	30	20	HKED	
COc1c(Br)cccc1CNc1ccc(Oc2ccnc(C#N)c2)cc1	589323709	VZEOHCQHRBBIDJ-UHFFFAOYSA-N	410.271	5.129	30	20	HKED	
C[C@@]1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)OCCc2sccc21	589326103	SKCQNPKWKYTCNH-QHCPKHFHSA-N	419.506	5.022	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3c[nH]c4cccc(Cl)c34)cn2)c1	590069324	ZQMFTXGIIDDQLG-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2cccn2)cc1	603532337	BZCAMMWJPVQTQH-UHFFFAOYSA-N	424.479	5.098	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1coc2cc3c(cc12)CCC3	603600850	FOUCGWPYJLNUIC-UHFFFAOYSA-N	423.472	5.470	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1	603747220	USEZFZUOFDMMBO-JOCHJYFZSA-N	424.614	5.015	30	20	HKED	
Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	604453987	ZOVLBHCDWGDMPQ-UHFFFAOYSA-N	424.529	5.134	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC(F)F	609427072	NRXQSVWJNXNQRD-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
CC(C)Cc1ccc([C@@H](C)NC(=O)CNc2ccccc2S[C@H](C)CC#N)cc1	609431756	LGPIHKHIUITCLC-RTBURBONSA-N	409.599	5.569	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1	609438071	AWEWYJMMWYGIDS-IRXDYDNUSA-N	407.539	6.442	30	20	HKED	
CC1CCC(OC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)CC1	609438200	FVORBYMEGQAIGK-JLAWEPINSA-N	415.603	5.672	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccccc1Br	609590307	HLOVSNQOBLIVQI-ZVDOUQERSA-N	405.295	5.087	30	20	HKED	
N#C[C@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1Br	609591171	QDYZRBZOYXHMRR-NRFANRHFSA-N	403.279	5.015	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4ccccc4F)CC3)cn2)c1	609927907	HQSDQCVXNUBLOQ-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2)n1	610040540	VDOFGRXBXMCLRX-UHFFFAOYSA-N	417.412	5.184	30	20	HKED	
N#Cc1c(NC(=O)c2ccccc2OCc2ccncc2)sc2c1CCCCCC2	610041399	LCIXVHZCQZJJEY-UHFFFAOYSA-N	417.534	5.505	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610094062	FRPBKRSOFVTAKK-NRFANRHFSA-N	401.470	5.146	30	20	HKED	
C[C@H](NC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1	610664080	NTOIXENGCPNHKG-GJZGRUSLSA-N	401.432	5.573	30	20	HKED	
Cc1cc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1F	610706715	MVIOEUBMNFOXJM-UHFFFAOYSA-N	400.372	5.550	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2sccc2Br)n(-c2ccccc2)c1C	611467102	BKZFLTWVGGYRMC-UHFFFAOYSA-N	400.301	5.042	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1C1CCCCC1	611568023	ZVJPSPAALDNYTO-UHFFFAOYSA-N	401.470	5.008	30	20	HKED	
N#CCCn1cc(CNc2ccccc2SCC(F)(F)F)c(-c2ccncc2)n1	619071019	UFFBPVZHQJZWED-UHFFFAOYSA-N	417.460	5.125	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1cc(C(F)(F)F)ccn1	643777175	QVJJWDFZFPJTQP-GOSISDBHSA-N	400.331	5.522	30	20	HKED	
FC(F)(F)c1ccc2c(N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)ccnc2c1	676878271	TVEKPKLXOODBNT-GHMZBOCLSA-N	402.260	5.431	30	20	HKED	
CC[C@H](C)n1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	679237133	GBJZDXKNZSXBCF-GWCFXTLKSA-N	406.433	5.281	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c3c(C)noc3n2)cc1	679368597	NUHXHDIOVXRTQX-HXUWFJFHSA-N	418.456	5.545	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc2cc(F)ccc2s1	679541656	VUMJKDVTKRNKCW-NSHDSACASA-N	415.421	5.327	30	20	HKED	
C=CCOc1ccc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)cc1Cl	727490580	PBGCUXJPEAASKG-YBEGLDIGSA-N	407.969	5.368	30	20	HKED	
O=C(/C=C\c1cnc(N2CCOCC2)s1)c1ccc(-c2ccc(Cl)cc2)s1	727973948	DOKBXDCFWWERKT-WAYWQWQTSA-N	416.955	5.258	30	20	HKED	
CC1CCN(c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)CC1	727985754	JEKGEIDIBGFBHQ-UHFFFAOYSA-N	415.493	5.219	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	729069968	JRQMMSNKRMRNRY-CZUORRHYSA-N	402.441	6.075	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730490920	NZJHULZTSZPOGX-MSOLQXFVSA-N	410.304	5.232	30	20	HKED	
C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccc2ccccc12	731253316	HLZAZEHXRHTOAS-LJQANCHMSA-N	400.478	5.171	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl	732435853	RVEYJCUBSQRMPG-YVEFUNNKSA-N	424.353	5.243	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)ccc1Oc1cccnc1	732711487	NUNSCGPGEFPLDV-UHFFFAOYSA-N	421.913	5.265	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1	733936574	YTMADJDUGKNJOA-SFHVURJKSA-N	421.884	5.138	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(F)cc3C(F)(F)F)c2)s1	740447078	DUFOJJGTZVWLAH-UHFFFAOYSA-N	419.403	5.766	30	20	HKED	
C[C@H](Nc1ccc(OC2CCCC2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2	743484314	NAMWJMFSGUPEIY-ZDUSSCGKSA-N	413.518	5.008	30	20	HKED	
N#C[C@@H](C(=O)CCC1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	744035556	OWVAXTDOCYYBQB-HNNXBMFYSA-N	409.338	5.500	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(F)(F)F)c1	744063397	MUYAETDVBLJGMP-HOFZKYPUSA-N	413.424	5.504	30	20	HKED	
CC(=O)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	745313516	OSYMLAIKBUPMKN-LIRRHRJNSA-N	424.909	5.310	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cc(Br)c1O	745989958	IEINGUVMBMNNKI-FPYGCLRLSA-N	424.294	5.512	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(CSCc3ccc(C#N)cc3)n2)c1	747863705	NTUKANGRAYYQMJ-UHFFFAOYSA-N	422.510	5.389	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCCc2ccc(Cl)c(Cl)c2)cc1	753538195	IJGGZHVSAZXIJW-QGZVFWFLSA-N	419.308	5.062	30	20	HKED	
CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(CNC(=O)OC(C)(C)C)nc1C	760244021	QGUSFFWHYNULMB-UHFFFAOYSA-N	422.451	5.270	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1c[nH]c2ncccc12	761817306	KNRKQPOJBPXZOO-SREVYHEPSA-N	410.296	5.345	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3sc4cccc(Cl)c4c3Cl)CCO2)c1	762295102	JTJBMLVLKIZMAN-OAHLLOKOSA-N	417.317	5.293	30	20	HKED	
Fc1ccc(-c2csc3ncnc(NN=Cc4ncccc4C(F)(F)F)c23)cc1	765568472	DXQNNBDMBOHNLL-UHFFFAOYSA-N	417.391	5.357	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Cl)nc1C	766339781	YBUBZFAOZNEAFO-UHFFFAOYSA-N	407.876	5.139	30	20	HKED	
CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)cc2)C1=O	771903138	ITNDGMAGKDGCNY-ZEQRLZLVSA-N	409.489	5.262	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2coc(-c3ccccc3Cl)n2)cc1	776517411	RAIQIBZRMPXYRC-KSSFIOAISA-N	421.884	5.470	30	20	HKED	
Cn1ncc(Br)c1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2s1	782301784	MMWBEVWBNXHZJO-SDNWHVSQSA-N	424.323	5.216	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1	786117104	HRGNMOMAAMVLNO-QHCPKHFHSA-N	415.468	5.102	30	20	HKED	
O=C1/C(=C\c2ncc(C(F)(F)F)s2)CCc2nc(-c3ccc(F)cc3)sc21	788353564	AHTGLNXEMHYUIT-YFHOEESVSA-N	410.417	5.637	30	20	HKED	
N#CCCn1cc(CNc2ccc(OC3CCCC3)c(Cl)c2)c(-c2ccncc2)n1	788508046	FWITWAFVONBOGG-UHFFFAOYSA-N	421.932	5.446	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1=S	789475891	BEYSBTOJLVDRTL-QFBILLFUSA-N	423.413	5.049	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cn1c(S)nnc1-c1cccc(C)c1	789890455	RKQQBOHAARICJW-UHFFFAOYSA-N	406.555	5.033	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(CC(F)(F)F)CC3)c2)s1	790730706	DBURGQDDXPLCKY-UHFFFAOYSA-N	407.461	5.161	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	794223193	WCEMMDAPPPUTKW-TZIWHRDSSA-N	417.534	5.253	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1	806452447	ZBSAZIUYASWGPH-LJQANCHMSA-N	406.448	5.412	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)s1	813212363	ASVUWOVVQWPDHJ-LBPRGKRZSA-N	407.442	5.013	30	20	HKED	
CC(=NNc1cc(C)nc(C)n1)c1sc(-c2ccccc2Br)nc1C	814807376	RPANNFCQYHGYIH-UHFFFAOYSA-N	416.348	5.124	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1OC	838988001	WCUYHZLEXLNSRU-LUAWRHEFSA-N	414.505	5.070	30	20	HKED	
O=C(c1ccccc1OCc1cscn1)N(O)Cc1cc(Cl)cc(Cl)c1	901380286	RQXSNTKSIMABBU-UHFFFAOYSA-N	409.294	5.061	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1	915085106	GFRCDRXKJJUVHQ-AREMUKBSSA-N	416.480	5.825	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1	915352283	JGOSPGNDZXKWCR-IZZNHLLZSA-N	424.548	5.301	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1=S	915790085	XJXVELZQXJYWJC-HXOBKFHXSA-N	412.603	5.134	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1	916134811	FWNZFMAANNCYMY-PQMHYQBVSA-N	406.825	5.397	30	20	HKED	
CCc1cccc2c(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)c[nH]c12	916310688	DKNXCORRGKNIJX-UHFFFAOYSA-N	412.518	5.359	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)c2)c1	916884092	ZAABDFRLUUOCFM-JOCHJYFZSA-N	418.880	5.189	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)oc2c1ccc1ccccc12	916905956	OOLXQOVXDBIHEG-KRWDZBQOSA-N	402.837	5.509	30	20	HKED	
C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	919904375	JKFPPXZKCBDTAK-KKSFZXQISA-N	421.447	5.209	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1	920108916	KZMDCKLUUZIKJO-KUHUBIRLSA-N	402.416	5.109	30	20	HKED	
CCOc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141201	NDULTVZIKMUGGQ-IBGZPJMESA-N	419.531	5.049	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccnc3)CCC2)cc1	1785840928	OXNXYWJUKDRFBD-NTEUORMPSA-N	417.553	5.221	30	20	HKED	
CC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)CC1	1791464353	IIBMKEBYDQIHQV-WGSAOQKQSA-N	407.558	5.031	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(O)c2)c1	10174579	XNJACFBFIFTJBQ-UHFFFAOYSA-O	419.570	5.218	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1	15322361	XLFNTWXPTCFSHK-UHFFFAOYSA-N	423.925	5.799	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN(C)Cc2nc3ccccc3s2)c1=S	16848074	USPCDXUPXNLNGB-UHFFFAOYSA-N	421.595	5.275	30	20	HKED	
Cc1cccc(-c2nnc([C@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)o2)c1	26675945	NOBDPTSZVUEDIP-LBPRGKRZSA-N	404.417	5.492	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1[N+](=O)[O-]	41549046	RAGHYEJGNSTVGE-LBPRGKRZSA-N	405.357	5.022	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)[C@H](C)c1ccc(C#N)cc1	45499934	VFMBUEQZQXUEJZ-MRXNPFEDSA-N	403.507	5.095	30	20	HKED	
CCN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)[C@H](C)c1ccc(C#N)cc1	45500002	NFJRCXMEUVUGIA-QGZVFWFLSA-N	403.530	5.231	30	20	HKED	
COc1ccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	46861535	LGJDJCVDJSWBLG-OAQYLSRUSA-N	406.869	5.022	30	20	HKED	
CCCCOc1ccc(-c2nnc(COc3c(Cl)cc(C#N)cc3OC)o2)cc1	54176466	RYCFEZMIWBHTQD-UHFFFAOYSA-N	413.861	5.028	30	20	HKED	
CC(C)(C)n1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1	62405722	KWFDIYDSPFLDEF-UHFFFAOYSA-N	409.877	5.599	30	20	HKED	
C=CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	64621831	JJEIRUFKCSACTA-UHFFFAOYSA-N	406.404	5.801	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)COc3ccc(Oc4ccccn4)cc3)cc2)cc1	71845068	MKEWWWNQCQIQKJ-UHFFFAOYSA-N	422.440	5.397	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C\c1ccc(C#N)cc1	96842733	PFODFLYTLQJUJT-MSUUIHNZSA-N	418.500	5.083	30	20	HKED	
C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(OCCCC#N)c1	111161300	WDAICNVLOQDTBB-GOSISDBHSA-N	415.493	5.166	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccc3)nc2)CC/C1=C\c1cnc(-c2ccccc2)nc1	208338311	NHSGOBLUULBKSE-NQGGHMMCSA-N	416.484	5.431	30	20	HKED	
C#CCCOc1ccc(CN[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1	237473835	RIVRXXQEVYSLRY-QGZVFWFLSA-N	406.551	5.380	30	20	HKED	
Cc1ccc(-c2nc(CNCc3cccc(OCc4cccc(C#N)c4)c3)co2)cc1	237759315	BMOWSQAHMOKIOS-UHFFFAOYSA-N	409.489	5.391	30	20	HKED	
Cc1ccc(OCCCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	303160025	VAROOBYLCZDEHV-UHFFFAOYSA-N	402.519	5.217	30	20	HKED	
N#C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1	303224645	VXBJIKKNFVUPEB-JOCHJYFZSA-N	424.422	5.208	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1	303418199	XIRQKEHQURHKNY-RXVVDRJESA-N	410.587	5.143	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	426072238	LBZADONXSRZAOT-UHFFFAOYSA-N	420.469	5.643	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	429196258	JGXBLNUXOISUBN-UHFFFAOYSA-N	409.505	5.565	30	20	HKED	
Cc1sc2nc(CN3CCCC3)nc(N[C@H](CCCC#N)c3ccccc3)c2c1C	431488565	DONLYQGTIYEJGU-HXUWFJFHSA-N	419.598	5.751	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Br)cc1Cl	436147424	DAKQAZXZNVWDLF-YJBOKZPZSA-N	418.722	5.406	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cncc(F)c1	436320492	HMGMTRMRSVSMCJ-BMIGLBTASA-N	423.332	5.293	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C)cs1	438668860	GOMPZOPWWLDBGK-KRWDZBQOSA-N	410.474	5.527	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	439087517	RHMHAPNPNZEUFK-UHFFFAOYSA-N	423.394	5.390	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cnccc2-c2cccc(F)c2)cc1	439685924	QWCHTACTEPBGHH-UHFFFAOYSA-N	423.447	5.591	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C	439850965	KMNPBOSSOSLUQK-HZPDHXFCSA-N	409.917	5.176	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@@H](CCC#N)c1ccccc1	440238811	IVKOQBJORKAUSD-FQEVSTJZSA-N	414.347	5.414	30	20	HKED	
COCc1nc(CNc2cc(C#N)ccc2C(F)(F)F)c(-c2ccccc2)s1	440649640	HGXWHVZCNGIMAQ-UHFFFAOYSA-N	403.429	5.459	30	20	HKED	
Cc1nc(-c2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2)cs1	441297469	QNNYJIPICIMLQW-KRWDZBQOSA-N	401.413	5.132	30	20	HKED	
CC(C)n1nc(-c2ccco2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	447866139	OQYXTGKJINDRLM-UHFFFAOYSA-N	401.470	5.235	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CSC[C@@H]1CCCCO1	460147111	CFGUIAZPKMCCJQ-FQEVSTJZSA-N	414.958	5.047	30	20	HKED	
COCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)c1ccc(C#N)cc1	460345604	CKOSMIILKKUFDP-UHFFFAOYSA-N	408.860	5.311	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(C[C@H]3CCCO3)C3CCCC3)cc2)cc1	460474171	VDMMZAMCRRQMKK-XMMPIXPASA-N	404.510	5.109	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N(CC)Cc1c[nH]c2ccccc12	460940420	VUPOPSUBTXUAPP-UHFFFAOYSA-N	415.541	5.079	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	463751262	FLIMCMQMQBFHJI-AWEZNQCLSA-N	410.930	5.481	30	20	HKED	
CN(C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F	463912133	RYRNYUKIXLBTKS-YPMHNXCESA-N	416.337	5.352	30	20	HKED	
C[C@@H]1CCCN(c2cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)ccn2)C1	464179217	AGUVHUTYTGVOAU-CJNGLKHVSA-N	410.930	5.071	30	20	HKED	
C[C@@H](N[C@H](C)c1nnnn1C1CCCCC1)c1ccc(-c2cccc(C#N)c2)cc1	469240828	LNPYNDMUGHUOQY-QZTJIDSGSA-N	400.530	5.129	30	20	HKED	
N#Cc1cc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)ccc1F	469332167	SXMDQBXDXBSVMA-UHFFFAOYSA-N	414.893	5.148	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	471788741	QBZOVAWRRWMVIV-FQEVSTJZSA-N	415.880	5.112	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	472038249	MRZRSFZXBHPZJQ-QHCPKHFHSA-N	405.929	5.612	30	20	HKED	
COc1ccc(SCCCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	473583365	QLYAVIDLGFILSR-INIZCTEOSA-N	400.569	5.458	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c12	474443099	BYCXHAWGYOHXQR-MRXNPFEDSA-N	420.469	5.407	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1	475161385	IVNVIOHTZHGQHJ-RTBURBONSA-N	407.583	5.320	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCOc1ccc(Br)cc1F	476083921	KGNJADWERLWBLV-UHFFFAOYSA-N	420.322	5.848	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1c(Cl)cccc1Cl	479945822	CPCWELHEAHNBEO-CYBMUJFWSA-N	409.338	5.429	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1	480413804	ZOQVJAHVQIUYLD-INIZCTEOSA-N	412.449	5.114	30	20	HKED	
N#C[C@H](NC(=O)CSc1nccc2ccccc12)c1c(Cl)cccc1Cl	481812525	NBBCQPOWZXQZKL-INIZCTEOSA-N	402.306	5.015	30	20	HKED	
CN(Cc1ccccc1F)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482417675	RWTCPRMXICAODE-OAHLLOKOSA-N	408.317	5.290	30	20	HKED	
C[C@@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(F)c(Br)c1	487311026	BGHICTWUZFFMLH-MGPUTAFESA-N	417.322	5.633	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccncc1	489429599	CMEQESMTPVENPY-QGZVFWFLSA-N	421.570	5.161	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)c1ccccc1	489671456	FBDVMFFPZIOIQU-QFIPXVFZSA-N	420.553	5.400	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)c3c(C)noc3n2)cc1	498021961	FAJCDHYAMUULKI-SFHVURJKSA-N	421.460	5.181	30	20	HKED	
COCCN(C(=O)c1cc(F)c(F)c(F)c1F)[C@@H](C)c1cccc(C(F)(F)F)c1	500319774	COAWFJUHCMERPL-JTQLQIEISA-N	423.328	5.112	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccnc1	503712553	ICQQLTZUKPCBQL-KRWDZBQOSA-N	421.570	5.077	30	20	HKED	
CCc1cccc2c(C(=O)[C@H](Nc3cc(C)n(CCC#N)n3)c3ccccc3)c[nH]c12	504381847	OCSBZAORYZGJRC-XMMPIXPASA-N	411.509	5.185	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCCC[C@H]2c2ccccc2)ccc1OCC(F)(F)F	510341484	KHPNQNFGOFAQAI-IBGZPJMESA-N	417.431	5.649	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)cc1	514517277	QCKONUNBYWHVEJ-UHFFFAOYSA-N	409.536	5.191	30	20	HKED	
CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](c1cccc(F)c1)c1cnn(C)c1	515018814	JVIFRVQQPLWIBQ-SANMLTNESA-N	410.496	5.319	30	20	HKED	
C[C@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C#N)c(F)c1	515147889	LTVLDTANKWXJJQ-IBGZPJMESA-N	410.496	5.460	30	20	HKED	
CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1cccc(C#N)c1	516368330	RRMOVNCAVRMNMM-UHFFFAOYSA-N	415.543	5.616	30	20	HKED	
C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2cccc(C#N)c2)cc1	516676405	NXTBCGJXTGWDIO-MRXNPFEDSA-N	411.427	5.412	30	20	HKED	
CC[C@@H]1CCCCN1C(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	517460786	VKBLMXMWTUEWMI-GOEBONIOSA-N	413.509	5.303	30	20	HKED	
COc1cccc(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	518420032	BINODORSWIPQOX-UHFFFAOYSA-N	402.469	5.180	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1	518753469	OSAHBUSTRNCFES-IEBWSBKVSA-N	412.559	5.023	30	20	HKED	
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519064387	ZWZFRKDIZYTIMD-MSOLQXFVSA-N	415.493	5.037	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(Br)cc2Cl)cc1	519230953	JLXDXPUWFQUTAI-UHFFFAOYSA-N	406.711	5.225	30	20	HKED	
Cc1ccc([C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)N2CCCC2)cc1	519450845	KXQVBOBMOQWKCD-KNQAVFIVSA-N	422.598	5.205	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOc1ccc(F)cc1F	520012849	OTZXYVYKYILVJE-UHFFFAOYSA-N	423.419	5.130	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccccc1OC(F)F	520195181	XFKKNRQRGSYBBT-UONOGXRCSA-N	405.470	5.565	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(Br)c1	520940327	NTZUIDNEKHZZSS-CQSZACIVSA-N	418.360	5.507	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1	524973487	YGOSMKWANJTLNP-UHFFFAOYSA-N	411.505	5.376	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	525154970	BIIWHXVTXASYJS-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)Cc1csc(-c2ncccn2)n1	533063758	OJNOVPUOKHTBKN-UHFFFAOYSA-N	415.497	5.126	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)N(C)Cc3ccc(C#N)cc3)c2C)c1	534487240	PTBIWTHMCNJEAE-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
C=CCCOCCCCC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1	537200406	QJDUOFPQRLCOPA-FQEVSTJZSA-N	401.938	5.157	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(Oc2cccnn2)c1	537558510	HPAKNWLLNYNEME-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Fc1ccc([C@H](CC(F)(F)F)NCc2nc3cc(C(F)(F)F)ccc3o2)cc1	539279643	QPQFQCPHKUUILB-AWEZNQCLSA-N	406.301	5.769	30	20	HKED	
C[C@@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1cccc(C#N)c1	539495071	CQKYYHWLYDEFBH-ZIAGYGMSSA-N	412.356	5.856	30	20	HKED	
C[C@H](NC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	541155967	HCQHRLSYLPUOQV-DFBJGRDBSA-N	411.505	5.069	30	20	HKED	
C[C@]1(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO[C@H]1C1CC1	543292309	FIWRGMWHERYDIV-RRPUWOKSSA-N	409.917	5.075	30	20	HKED	
C=CCOc1ccc(/C=C\c2nc(Cc3coc(-c4cccs4)n3)no2)cc1OC	547008705	GXNUYRVJJMQGCB-CLFYSBASSA-N	421.478	5.121	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1	550971074	XUQPMEJTEHYTKV-LJQANCHMSA-N	400.482	5.017	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1SC[C@H](C)C#N	554206941	SMYCPIMLCFSQDD-RPUPUWCGSA-N	423.582	5.411	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F	562202477	YZGYVOCMMMWRSH-ZDUSSCGKSA-N	401.457	5.860	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C1CC1	564117338	DRVRNWTZEUKIAD-UHFFFAOYSA-N	400.482	5.333	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)ccn1	574369393	HQXWMTAMXIUZQK-BJKOFHAPSA-N	423.476	5.049	30	20	HKED	
Cc1ncsc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	584379695	OTOLPHPBASCPFA-GFCCVEGCSA-N	422.316	5.882	30	20	HKED	
N#CCc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)cc1	604462440	NTYNGQDRWFRUOB-UHFFFAOYSA-N	416.477	6.183	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3csc(-c4ccccc4Cl)n3)n2)cc1	608931456	UDZTYQYGGWONEI-UHFFFAOYSA-N	422.922	5.711	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4ccoc4)[nH]n3)cc2Cl)c1	609072765	DYQRKEJDRCIGQX-UHFFFAOYSA-N	418.840	5.026	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12	609377774	FKMKYMJZINCRHA-UHFFFAOYSA-N	417.456	5.682	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1	609403056	OVICBPRWMBZTDI-ICSRJNTNSA-N	409.555	5.151	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cnn1-c1cccc(Cl)c1	609460477	ALPGWJVWKZXKOO-GOSISDBHSA-N	419.699	5.136	30	20	HKED	
CC(C)OCc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1	609643046	CXNLHOYJVDHWAZ-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc2ccccc2o1	609723015	UNVPZGJTKLXMEE-UHFFFAOYSA-N	403.825	5.422	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCc3c(O)cccc32)c1	609731593	CRFCFKZZJGABEP-FQEVSTJZSA-N	404.853	5.127	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(CC(F)(F)F)c3ccccc3)c2)cc1	609786411	TVCHNYJVOBEYMA-UHFFFAOYSA-N	410.395	5.346	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1	609929744	LNNORMKXFPCZFI-HZPDHXFCSA-N	401.963	5.687	30	20	HKED	
N#Cc1ccc(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(F)c1	610165787	RROLPTOZVLNODD-UHFFFAOYSA-N	400.862	5.019	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N[C@@H](C)c1ccc(C#N)cc1)c(C)n2C1CCCC1	610195801	NQUTXTCGVFWKJN-INIZCTEOSA-N	401.510	5.436	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3C)n2)cc1	613314770	ZQQGYJQHSKYXJI-IBGZPJMESA-N	416.481	5.242	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)oc2c1C(=O)CCC2	615200997	TXCITXJQCOEUKL-UHFFFAOYSA-N	420.852	5.677	30	20	HKED	
COc1cc(C(F)(F)F)ncc1NC(=O)c1ccccc1Oc1ccccc1C#N	616710912	FFXGPVWCGSTALC-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	619428281	YFCSGKFCADFEPM-UHFFFAOYSA-N	410.433	5.215	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]1c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1	676727397	SZZRIKAYQANQSU-PMACEKPBSA-N	420.479	5.301	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2csc(-c3cc(Br)cs3)n2)c1	728480062	ANVNCVOTERWCFJ-UHFFFAOYSA-N	417.353	5.282	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1ccc2ccccc2n1	730687405	UYJABZSHGCSAEN-KBMIEXCESA-N	414.411	5.510	30	20	HKED	
N#C[C@@H](C(=O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1)c1nc2ccccc2s1	731032845	IWYJSCCTGQDCOY-UWJYYQICSA-N	414.534	5.181	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(OC(F)F)c(Cl)c2)SC1=S	731501173	ZRXHRBOSMIKWGJ-OVCLIPMQSA-N	422.865	5.219	30	20	HKED	
CCN(CC)Cc1csc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	732061254	APKARXVYIJGEJV-UHFFFAOYSA-N	420.538	5.096	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCc3sccc3[C@@H]2C)c1=S	732526936	ZYPRNIDDDFJNIP-AWEZNQCLSA-N	400.548	5.044	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccccc1	733084046	VWMAIBXJEDIJLM-ZHACJKMWSA-N	416.462	5.109	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)c1	733770855	IBQPNWFDDNHVMU-JOCHJYFZSA-N	420.553	5.140	30	20	HKED	
Cc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccc1N1CCCC1	734315769	BSSSRMKXCRZPCB-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
CC[C@@H](NC(=S)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1cccs1	734376030	HQJBQTRHJPXNNQ-HXUWFJFHSA-N	423.582	6.100	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2sc3cc(Br)ccc3c2Cl)C1	735057454	JZXYYPKSDUOSAK-BMLIUANNSA-N	411.752	5.519	30	20	HKED	
N#Cc1ccc(-c2nnc(CSc3nc4cc(C(F)(F)F)ccc4s3)o2)cc1	741849609	JGDCWEDNZATUKW-UHFFFAOYSA-N	418.425	5.529	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)o1	742515635	UUNHGZLIMPGYJH-UHFFFAOYSA-N	422.506	5.018	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC[C@H]1c1ccccc1	743092739	CGLONJDRZSMAPG-LIKDZFNVSA-N	409.533	6.000	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	743093554	VWSOLJJECLWJLG-DPQOWFAMSA-N	413.496	6.096	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1	744031731	BQXWNTYNYLTOJR-USYSOWRXSA-N	424.781	5.249	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744035931	VLLNYIABJQTCJW-ZDUSSCGKSA-N	419.337	5.464	30	20	HKED	
C[C@H](C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1	745304918	GWLTYAKSJCBJBK-CABCVRRESA-N	416.930	5.020	30	20	HKED	
CCCN(C(=O)NCc1cc(C#N)ccc1F)[C@H](C)c1ccccc1Br	745892597	AMVIKBYPXBUJCA-CQSZACIVSA-N	418.310	5.143	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cccc(C)c1C	749101435	BYOMJGAGFXILFZ-UHFFFAOYSA-N	407.352	5.590	30	20	HKED	
CCc1oc2ccc(C(C)=NNc3ccccn3)cc2c1C(C)=NNc1ccccn1	758095849	MTKGIGAVLXLJBA-UHFFFAOYSA-N	412.497	5.457	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C\c3ccc(Cl)nc3)c2)cc1	758487960	FCDKEQBPWGADGB-XFFZJAGNSA-N	403.869	5.032	30	20	HKED	
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	766028178	VDIPPQXRGQOAAP-MWTRTKDXSA-N	419.456	5.123	30	20	HKED	
COc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)c(OCc2cccnc2)c1	766454166	VVDYLAMAQPPTQI-UHFFFAOYSA-N	416.399	5.239	30	20	HKED	
Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)no1	779596327	GYKKWOGHTYYLQM-FCHUYYIVSA-N	415.497	5.183	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1ccccc1Sc1ccccc1	779742648	KHKHTFCRPPGUAV-QGZVFWFLSA-N	403.507	5.179	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1F	780017181	WXEJLZLDAWZQGT-CQSZACIVSA-N	410.474	5.116	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NN[C@@H]2CCOC(C)(C)C2)c(C)c1	780246233	FZJQFIXOEWXUEV-OAQYLSRUSA-N	402.542	5.037	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cn1	780643054	LKQTYLKMCSKTSJ-MRXNPFEDSA-N	424.957	5.011	30	20	HKED	
CCCCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1OC	780668900	AGBJZBOPILWPJL-IAGOWNOFSA-N	411.502	5.048	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1	780669548	DAISCSMARLSICX-OPAMFIHVSA-N	421.447	5.361	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1ccc(C#N)cc1F	782422628	GYMDEPJQCGLEDO-UHFFFAOYSA-N	404.319	5.037	30	20	HKED	
Cc1cccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)c1	782523404	KENBQKXWYPBDKD-OALUTQOASA-N	408.505	5.996	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1nnc(-c2ccccc2F)s1	784124017	VZKFFKVOKWBEOZ-SNVBAGLBSA-N	421.375	5.153	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1	788360767	NDFGCZPBIUXSKQ-VQHVLOKHSA-N	410.864	5.355	30	20	HKED	
CCCCCCn1nc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c2ccccc2c1=O	792095325	VYKATNFVKFJRDG-QFIPXVFZSA-N	424.504	5.015	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cnn(C(C)C)c1C	794979571	IPQCMFJTRCIFEF-UHFFFAOYSA-N	402.424	5.084	30	20	HKED	
CC(C)n1ncc2cc(/C=C3/Cc4ccc(Br)cc4C3=O)c(Cl)nc21	800795992	GYZHERXWDNJVGG-SDQBBNPISA-N	416.706	5.251	30	20	HKED	
C[C@@H](N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)c(F)c1	810263841	UJKPAKGINWIWBD-VGOFRKELSA-N	411.521	5.394	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)OC[C@H]2CC[C@@H](C#N)CC2)cs1	810880036	QSYORXSIJDMRLY-IYBDPMFKSA-N	400.519	5.408	30	20	HKED	
COc1cc(/C=C(\Cl)c2nc3ccc(Br)cc3o2)ccc1OCC#N	812248807	QYBBQTWTDWXVET-JYRVWZFOSA-N	419.662	5.238	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccc(F)c(Br)c1	813061280	FYNUYTLIRORJJW-YPMHNXCESA-N	401.235	5.099	30	20	HKED	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2C1	817324822	PVUIDVNQDAWHDX-QFIPXVFZSA-N	419.525	5.102	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)[C@@H](C)c1ccc(C#N)cc1	914509109	BYCJGXVTUWBDRZ-BVZFJXPGSA-N	424.500	5.236	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1	915085464	MHOTVGWNTANBOU-DEOSSOPVSA-N	423.541	5.571	30	20	HKED	
O=C(/C=C\c1cccc(/C=C\C(=O)c2ccc(F)cc2F)c1)c1ccc(F)cc1F	916127674	SVHXITOTNOBAJK-GGXLTUIBSA-N	410.366	6.035	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1C	916848193	FAWXJOAAZLLUKJ-FQEVSTJZSA-N	412.518	5.006	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OC2CCCC2)cc1	916905294	BWBUFMWPZMWAJD-QFIPXVFZSA-N	404.510	5.094	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)cc1	917430394	JSBLUDVDOMBKJW-AWEZNQCLSA-N	422.859	6.123	30	20	HKED	
Cc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	920110500	MPDUSEJGWSFWDM-AWEZNQCLSA-N	407.347	5.906	30	20	HKED	
C=CCn1c(SCc2cc(-c3cccs3)on2)nnc1-c1ccc(OC)cc1	7766309	PPUPIUHMAMJQFA-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(O)c2)cc1C	11160440	CRJNVCSSXIVRFO-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(F)cc1	16835672	UCKJWCAYDONGOE-MRXNPFEDSA-N	424.545	5.513	30	20	HKED	
N#Cc1c(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)sc2c1CCCC2	21145522	HNYGVYSEDFAYIQ-UHFFFAOYSA-N	410.502	5.361	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1	22041638	VFLZCFLKJHVYDB-CYBMUJFWSA-N	401.894	5.287	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(C)c2)c1	22732285	RYDJOBNYLCMYBL-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c23)cc1	25785918	DXZFAHJORAUMEA-IVZQSRNASA-N	424.595	5.202	30	20	HKED	
C[C@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1	26438102	RMVDMSSQBBQKSF-LLVKDONJSA-N	406.458	5.392	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2	71880465	BPZGADZVOXUETR-BMRADRMJSA-N	401.897	5.361	30	20	HKED	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	72068856	QPUYXFGFEDZHPK-FQEVSTJZSA-N	405.841	5.464	30	20	HKED	
N#CCCN(C(=O)CCC(=O)N[C@H](c1ccccc1)C1CCCCC1)c1ccccc1	110930479	ASLHWOMESJQFAV-AREMUKBSSA-N	417.553	5.151	30	20	HKED	
CN(Cc1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	303177483	KGLMSWCJYLLNFJ-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ncc[nH]3)CC2)cc1Cl	429105623	SEASEAIJWRPYBA-HXUWFJFHSA-N	419.916	5.130	30	20	HKED	
COCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	429357790	PLZOKLHFMBBTRO-HXUWFJFHSA-N	406.507	5.024	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccc(Cl)cc1	429762609	WJGGZTOLVLXTKA-LSDHHAIUSA-N	403.935	5.323	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](OCCCc2ccccc2)C1	431180521	PVAYJVQEWHHEFX-CTNGQTDRSA-N	423.582	5.194	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccc(COc2ccccc2)cc1)c1ccccc1	431815767	SIELTRMFTHKPKT-VWLOTQADSA-N	413.521	5.500	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)n1cnc2ccccc21	437480586	WFBCXBPKGPIJNW-HNNXBMFYSA-N	400.413	5.039	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)N(CCC#N)c1ccccc1	439571433	LOMBUYKCMTYKLJ-GOSISDBHSA-N	403.457	5.365	30	20	HKED	
C=C(C)[C@H](CC(=O)N(Cc1ccccc1Br)c1cncc(C)c1)OCC	441409539	JHKVZOOTZYWEGS-FQEVSTJZSA-N	417.347	5.057	30	20	HKED	
N#Cc1cnc(C(=O)Nc2cc(F)ccc2Nc2ccc(F)cc2F)c(Cl)c1	441454745	FALPFLMMFRBFDH-UHFFFAOYSA-N	402.763	5.020	30	20	HKED	
CC(C)(C)[C@H](CC1CCCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	441890210	BFJPZSMVUWRDHJ-SFHVURJKSA-N	423.479	5.017	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1	442674025	VAPLKZITDXOTSF-INIZCTEOSA-N	417.317	5.924	30	20	HKED	
FC(F)(F)C[C@@H](NCc1nc(C(F)(F)F)cs1)c1ccc(C(F)(F)F)cc1	444744821	QXOQOBOVQBJKAC-SNVBAGLBSA-N	422.316	5.964	30	20	HKED	
Fc1cccc(F)c1-c1csc(CN(CCC(F)(F)F)CC(F)(F)F)n1	447832426	MHZXHTNMLGWBOK-UHFFFAOYSA-N	404.326	5.405	30	20	HKED	
CSc1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Cl	463523820	APQKCZMUVDNIQY-GFCCVEGCSA-N	412.989	5.114	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	464477134	RPCBNMLHRZHUAG-GOSISDBHSA-N	423.419	5.613	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(COc3ccccc3C#N)o2)o1	464896963	UWYIZWLUCDXFLO-OXJNMPFZSA-N	404.466	5.245	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)NCc2cc(C#N)ccc2F)c2cccs2)cc1	465618896	MTLKTKZLQRBLBF-QFIPXVFZSA-N	407.514	5.471	30	20	HKED	
COc1cc(Br)ccc1[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	468812531	CLSVDPZMXITMIJ-CYBMUJFWSA-N	416.319	5.142	30	20	HKED	
CC(C)[C@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	469976496	XYRCYHDJXVEQHF-QFIPXVFZSA-N	403.526	5.038	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)nnc1C1CC1	471212174	NGUOIDUQOOKTSL-SNVBAGLBSA-N	422.341	5.552	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CNc1ccccc1S[C@H](C)CC#N	475161382	IVNVIOHTZHGQHJ-MOPGFXCFSA-N	407.583	5.320	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1	475574496	OKEUYQWBLLSFBA-UHFFFAOYSA-N	419.569	5.989	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)c2ccco2)n1	476126576	ATFBZKPEMRPQDC-UHFFFAOYSA-N	409.511	5.022	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)s1	477858810	MSIGAOLBBROLOD-LBPRGKRZSA-N	411.552	5.125	30	20	HKED	
Cn1cc(CNCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)cc1C#N	480388623	YKSMELQAGMJCBR-UHFFFAOYSA-N	421.369	5.276	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1	480835739	CKWCLYDTPWQIDK-RXVVDRJESA-N	407.514	5.099	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nc2ccccc2c1=O	484507393	SRISPRNWEVWGCU-CYBMUJFWSA-N	424.526	5.093	30	20	HKED	
CCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)[C@@H](C)c1ccc(C#N)cc1	486997560	CGGXJFOKZUOBDE-KRWDZBQOSA-N	414.534	5.490	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1Cl)C(C)C	487676034	NJDRVVHDJKBFHR-UHFFFAOYSA-N	409.917	5.018	30	20	HKED	
C=C(C)Cn1c(SCC(=O)c2c(C)c(C)cc(C)c2C)nnc1-c1ccncc1	489433323	VNMQSMIZCKDBJD-UHFFFAOYSA-N	406.555	5.125	30	20	HKED	
C[C@H](C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1c(F)cccc1F	493381977	CFYCCDYMQSXDIF-BJOHPYRUSA-N	409.301	5.090	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1Cl	494199645	XMZJPIGPEZOVLI-FPOVZHCZSA-N	423.944	5.609	30	20	HKED	
COc1ccc(CN[C@@H]2CCc3ccc(-c4ccccc4)cc32)cc1OCCCC#N	495147523	PYPOKRQEYSMIAA-RUZDIDTESA-N	412.533	5.822	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1c(Cl)cccc1Cl	499812386	NHOWVFFWYRUIEF-ZENOOKHLSA-N	424.125	5.240	30	20	HKED	
CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	503224639	HHWFYCBZVPPKEQ-IIBYNOLFSA-N	415.990	6.453	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1c(Cl)cccc1Cl	505526722	PKGCBWBSOOWRNV-LJQANCHMSA-N	424.287	5.240	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2cc(C#N)ccc2Cl)n1	506500524	VFTGMTFWFYCYHV-UHFFFAOYSA-N	418.806	5.285	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccccc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510370290	XKXNUEMHXBWBET-HZPDHXFCSA-N	422.344	5.812	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@H](c1cccnc1)c1ccc(F)c(F)c1	512307041	YAHYEPVZIJCOHK-NRFANRHFSA-N	411.839	5.137	30	20	HKED	
COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)ccc1OCc1ccccc1	512654687	OADFMVJQHPVDIN-ROUUACIJSA-N	404.485	5.697	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccccc1C#N	512832195	HBWIXRQLODNIAN-INIZCTEOSA-N	420.440	5.213	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)Cc2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)cc1	515182276	RRSYSRPMPPFSIQ-HNNXBMFYSA-N	420.488	5.101	30	20	HKED	
CCOC(=O)c1sc2cccc(F)c2c1CNc1cccc(OCCCC#N)c1	515659529	XLRSXAFBOUIJNI-UHFFFAOYSA-N	412.486	5.512	30	20	HKED	
N#Cc1ccccc1CSCCNCc1cc(Cl)ccc1OCc1cccnc1	517540686	HDVKBVIHRJIYTF-UHFFFAOYSA-N	423.969	5.209	30	20	HKED	
N#CCN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1ccccc1	518043217	LMVXVRBNMHEJMG-UHFFFAOYSA-N	402.397	5.484	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cnn1-c1ccccn1	518469261	NPPUUNVWBVYMIU-UHFFFAOYSA-N	423.476	5.307	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1ccc(Cl)c(Cl)c1	518847807	FCENFPJJLXFSGC-INIZCTEOSA-N	406.656	5.296	30	20	HKED	
COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OC(C)C	519065759	YSMQDCMMAFENGT-SFHVURJKSA-N	409.530	5.035	30	20	HKED	
Cc1[nH]nc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1-c1ccccc1	522812785	MTNMNTHNOYFUMP-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)o2)cc1	524133992	FQTOCXCBQCPALL-OAQYLSRUSA-N	400.478	5.140	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCOc1ccccc1F	524386681	PPFJMPCCHCACSP-UHFFFAOYSA-N	418.468	5.383	30	20	HKED	
Cc1cc(C(=O)NCCCCC#N)ccc1N[C@H](C)c1cc(Cl)ccc1Cl	524973774	JDKGYVZWZBRODA-OAHLLOKOSA-N	404.341	5.899	30	20	HKED	
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(Cl)c1	525137042	ILNLIILVVXKTOM-LBPRGKRZSA-N	412.864	6.107	30	20	HKED	
CCc1cccc(CC)c1-n1c(SCCC(C)(C)C#N)nnc1-c1cccnc1	525504022	WYODZBXVUBBWPO-UHFFFAOYSA-N	405.571	5.486	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)CC(C)C)c(C)c1	525631475	IDCOBNPQXLSECW-UHFFFAOYSA-N	404.963	5.523	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1F	531336638	WJZMSLWAWKDZKW-UHFFFAOYSA-N	401.224	6.049	30	20	HKED	
COc1cc(CN(C)[C@@H](C)c2cccc(O)c2)ccc1OCc1cccc(C#N)c1	532702075	UCRTYTFKTYLZAF-SFHVURJKSA-N	402.494	5.044	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C2CC2)n1	538641796	QYCOQNQPFJFOPY-LJQANCHMSA-N	402.885	5.224	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(Cl)c1Cl	539313523	BUTPDPVVATUFNZ-KBPBESRZSA-N	422.381	5.534	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1	549234486	IYYWNERUUILXOO-HNAYVOBHSA-N	416.978	5.016	30	20	HKED	
C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(OCc2cn3ccccc3n2)c1	556601359	KJJMBFGPBVFDKO-LJQANCHMSA-N	408.505	5.125	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(CCC#N)c1ccc(F)cc1	558389430	YLWJYWJUMKPTSO-UHFFFAOYSA-N	401.413	5.096	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCCc4ccc(F)cc43)cc2)ccn1	563295906	PVZKTNBJVJXECP-JOCHJYFZSA-N	402.429	5.084	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3NCc3cccnc3)cc2)ccn1	570768279	NCBKTYNBQMGZMS-UHFFFAOYSA-N	421.460	5.005	30	20	HKED	
Cc1noc(C)c1C(C)(C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	577903726	QQCVPLZRFDQZES-IBGZPJMESA-N	422.916	5.657	30	20	HKED	
N#Cc1csc(CN[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)n1	579294817	XUNVWWAKCVBESX-SFHVURJKSA-N	421.419	5.083	30	20	HKED	
CC1(C(=O)Nc2cc(F)ccc2Cl)CCN(c2ccc(Cl)cc2C#N)CC1	584072595	IEOCWKGUCPBTFY-UHFFFAOYSA-N	406.288	5.249	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2cccc(-c3nc(C)cs3)c2)cc(OC)c1OC	588261358	SSEADCHQMYVGBE-UHFFFAOYSA-N	423.538	5.186	30	20	HKED	
N#CC[C@H](Cc1nc(-c2cc(Cl)ccc2OCC(F)(F)F)no1)c1ccccc1	589133726	BISKSSKCPXBADU-CQSZACIVSA-N	421.806	5.571	30	20	HKED	
N#CCn1c(C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)cc2ccccc21	589730335	KLSHZBKBNQARCP-UHFFFAOYSA-N	412.320	5.491	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1	589867046	JKMNBINQZIEIBW-UHFFFAOYSA-N	420.296	5.364	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)c1	603756755	KGFDDEUCETWFDZ-MSOLQXFVSA-N	402.416	5.444	30	20	HKED	
C[C@@H](OCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603758802	IUWXSWRQOXTHDZ-VGSWGCGISA-N	404.897	5.539	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)n[nH]2)cc1	604103075	RVAMLEGBWOSNEF-UHFFFAOYSA-N	409.449	5.005	30	20	HKED	
CCN(C(=O)c1cc2c(F)cc(Br)cc2[nH]1)[C@H](C)c1ccc(C#N)cc1	604343373	YURJNFOTJXFOAJ-GFCCVEGCSA-N	414.278	5.164	30	20	HKED	
C=CCCCCCN(C)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C	606816098	MMHFAHGFPQFZOY-UHFFFAOYSA-N	408.468	5.228	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(F)c(F)c1	609078930	DSAATFBEIWPZIT-UHFFFAOYSA-N	407.420	5.046	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CSCc1ccccn1	609151560	AVJZIZHBSJYDNE-UHFFFAOYSA-N	407.926	5.073	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc2ccccc2o1	614439898	WLTMWISWGSMOHL-SFHVURJKSA-N	422.362	6.129	30	20	HKED	
C=CCN(C(=O)c1cnc(OC(C)C)c(Cl)c1)c1nc(-c2ccccc2)cs1	614512922	FEQJLAKAAJABBQ-UHFFFAOYSA-N	413.930	5.479	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)cc1	614890201	XOFFUEQVQVRNOP-MRXNPFEDSA-N	412.917	5.172	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1COCc1ccccc1	615668792	YDVLYPDZSOTKES-UHFFFAOYSA-N	418.512	5.440	30	20	HKED	
CCc1c(NC(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1	616697538	YFQQPMMEBGHKOR-UHFFFAOYSA-N	418.806	5.231	30	20	HKED	
CC(C)[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	618547572	UOKVBBYWDOBJPS-NFAWXSAZSA-N	414.365	5.295	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)sc1-c1cccc(Cl)c1	726732645	IJQKKGVVYHNCSE-GOSISDBHSA-N	408.910	5.016	30	20	HKED	
FC(F)(F)COc1ccc(NN=Cc2c(-c3ccccc3)nc3sccn23)cc1	727262412	PFAQJLBSBLQLFM-UHFFFAOYSA-N	416.428	5.450	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc(OC)c1O	727654019	FMMLIFGUKNSRSL-RUDMXATFSA-N	415.898	5.391	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1ccccc1C(F)(F)F	728061411	SDTVLDIWWLIPJO-GOSISDBHSA-N	407.823	5.006	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	729945928	VFFIFMVFOVRZKO-NRFANRHFSA-N	411.429	5.284	30	20	HKED	
CCc1oc2ccccc2c1C=Nn1c(S)nnc1-c1ccc(OC(F)F)cc1	730549062	RGNJVIDJRAOYNO-UHFFFAOYSA-N	414.437	5.026	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)c(F)c2)cc1C	730630062	DTVFHDJLIDWLLJ-QGZVFWFLSA-N	416.452	5.165	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	733775541	ZJRBYJKNFJBAHO-SFHVURJKSA-N	411.461	5.106	30	20	HKED	
C#CCN(C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C)C1CCCCC1	733850116	CZOVCVWHICMCSW-QGZVFWFLSA-N	411.571	5.166	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1coc(-c2ccc(Cl)cc2)n1	735319207	WHLUJJZAEQJUBG-UHFFFAOYSA-N	405.306	5.984	30	20	HKED	
C#CCOc1ccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1	741538270	CWLYZYOXSRRVLL-UHFFFAOYSA-N	413.260	5.445	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1	743093932	ZORYLPHNUCCBKN-LAUBAEHRSA-N	418.566	5.894	30	20	HKED	
Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(OC(F)F)cc1C	743430951	RZHQIDIBGVCCDB-UHFFFAOYSA-N	422.888	5.324	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)N(CCC#N)c1ccc(F)cc1	743465933	SQPICMRMSCSGMS-QGZVFWFLSA-N	423.488	5.005	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3SCCc4ccccc43)n2)cc1	744062129	QEBPPKRFZKTEDK-NQIIRXRSSA-N	406.532	5.026	30	20	HKED	
CCCN(C(=O)NCc1cc(C#N)ccc1F)[C@@H](C)c1ccccc1Br	745892596	AMVIKBYPXBUJCA-AWEZNQCLSA-N	418.310	5.143	30	20	HKED	
COc1ccc(CNC(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)cc1C#N	747430109	GUMCBHCCAHNPET-CQSZACIVSA-N	417.431	5.021	30	20	HKED	
N#CCC[C@@H](/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1	747690971	RRIRNQLBLUQALW-BTZNOAQDSA-N	422.120	5.381	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Br)s2)ccc1OCC(F)(F)F	750900117	MAJICSOTZOFJOK-DUXPYHPUSA-N	421.234	5.356	30	20	HKED	
Cc1csc(SCc2c(C(=O)N3CCC[C@](C)(C#N)C3)oc3ccccc23)n1	753159571	DCNMYJZFVKMYDF-OAQYLSRUSA-N	411.552	5.256	30	20	HKED	
Cc1cc(COc2ccc(C=NOc3ccccc3C(F)(F)F)cc2)oc1C(=O)O	754711876	CWVPADCWYYCDCT-UHFFFAOYSA-N	419.355	5.297	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCc1cc(C#N)ccc1F)C1CC1	754915435	DVHGZMDMBQAPGE-ZDUSSCGKSA-N	405.395	5.151	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)c1	756073961	RYKDIVAHTBTRIW-WMZOPIPTSA-N	414.575	5.159	30	20	HKED	
N#C[C@H](COC(=O)CCC(=O)c1cc(Cl)sc1Cl)Cc1ccc(F)cc1	756255481	HFGKIQJZHPPJSY-GFCCVEGCSA-N	414.285	5.083	30	20	HKED	
C[C@H](Nc1ccc(F)cc1OCC#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760218789	FDQFTEQQSBTPET-JTQLQIEISA-N	407.232	5.258	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3ccccc3)cnc2C)c1	760807706	JSRHXJIKKLZROG-OAQYLSRUSA-N	400.482	5.060	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CCO2)c1	761783709	WMTFONZDCATLAP-HSZRJFAPSA-N	411.465	5.579	30	20	HKED	
C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	762690685	MBAKYBWWIVQKJB-JPYJTQIMSA-N	416.546	5.093	30	20	HKED	
N#C[C@H](C(=O)COC/C=C\c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	763481573	ULCFLWHDLBJQLE-HQQUCIOCSA-N	416.424	5.221	30	20	HKED	
Cc1cc2occ(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2cc1C	770491820	QZGGWMGBCQHGEN-INIZCTEOSA-N	422.506	5.239	30	20	HKED	
N#Cc1c(Cl)cccc1SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	771458986	YICMGZFSSCKMNF-HNNXBMFYSA-N	409.923	5.304	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(C3CCCCC3)n2)cc1	776515740	JOSXPIVONYZYKN-IIBYNOLFSA-N	406.530	5.171	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1NC(=O)Nc1ccccc1	780148716	MKKHJFWGFGQPQY-QGZVFWFLSA-N	414.465	5.182	30	20	HKED	
CC[C@@H]1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	780312698	LZFSCBGKUXDPCA-NJZAAPMLSA-N	409.338	5.498	30	20	HKED	
CC[C@H](C#N)SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1cc(C)cc(C)c1	780332058	KKJRWKUUMWKSHJ-TUNPGAEXSA-N	405.523	5.091	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F	780472065	TXOHEPBNHIFWMF-NSHDSACASA-N	413.783	5.216	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)CCC2	780562976	PVTUTGFLVBLJPL-HXUWFJFHSA-N	404.495	5.315	30	20	HKED	
CC(C)[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)cc1F	782099943	PAURLDVCKKEECZ-VGSWGCGISA-N	422.891	5.003	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1OCc1ccc([N+](=O)[O-])cc1	782185759	SUUPQNCZGLIXCK-YWEYNIOJSA-N	424.840	5.127	30	20	HKED	
COc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1F	782754219	WLWNDXAMWYFQSX-QGZVFWFLSA-N	417.484	5.276	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1cnn(C(C)C)c1C	787152432	HNDIVZGZCBRRRO-UHFFFAOYSA-N	408.506	5.419	30	20	HKED	
COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	794159486	MXBZVZXTTALGEL-LEWJYISDSA-N	400.503	5.004	30	20	HKED	
N#CC1(CCCOC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CCOCC1	800121559	AXHSHHBDZBOAFO-UHFFFAOYSA-N	416.477	5.266	30	20	HKED	
N#CC1(CCCOC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CCOCC1	800172356	IJZVVDRXOJOTTL-UHFFFAOYSA-N	423.475	5.551	30	20	HKED	
CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)OCCCC1(C#N)CCOCC1	800212516	JHWCILKKKJWXSH-UHFFFAOYSA-N	414.329	5.042	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Br)s1)c1cc(C(F)(F)F)ccn1	813216807	ZNCSZZYAODMCRW-GFCCVEGCSA-N	417.250	5.124	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)c(C)c1	814278677	ZLCQGDDGFNNDAY-XSFVSMFZSA-N	407.564	5.059	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCCCC1	815889101	KHHGCRPGZAOZSZ-XMMPIXPASA-N	417.553	5.242	30	20	HKED	
COc1ccc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2c1	815909624	DNYZISKFOJWYDR-LJQANCHMSA-N	413.260	5.116	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)cc1Cl	915042051	ZFGRTFPEVYIDEH-YVMONPNESA-N	409.869	5.227	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C3\CSc4ccccc4C3=O)c2)cc1	916154914	XTFMEOKTPADRCN-QGOAFFKASA-N	401.487	5.320	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)CCC(=O)N2	916591907	ULZWHUOXNOXMMB-UZUQRXQVSA-N	424.504	5.109	30	20	HKED	
N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc2ccccc2n1	916849733	ZIIXZJRZTIVHMX-GFCCVEGCSA-N	405.668	5.450	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917043366	LJWOBXVSEYEQRG-GHMZBOCLSA-N	424.234	5.382	30	20	HKED	
N#Cc1ccccc1NC(=S)N(Cc1ccc(Cl)cc1)c1ccccc1Cl	917599048	AXWONMLMGTTZGT-UHFFFAOYSA-N	412.345	6.269	30	20	HKED	
COc1ccccc1-c1cc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)no1	918156485	XEMPNUMKORQCDC-UHFFFAOYSA-N	409.445	5.069	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ncc(-c2cccc(Cl)c2)o1	918775569	PVDYRJYLQNNZEK-OAQYLSRUSA-N	410.857	5.013	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@H](c2ccccc2)O1	920234898	MFMZMHKTRKLPET-UKDVSSAZSA-N	411.505	5.336	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(O)n1	1353353779	PUUVKWWHTWDXDB-HNNXBMFYSA-N	419.506	5.109	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1	1789394137	QBTNTSVMKWOCJA-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(F)c3)CCC2)cc1	1791584460	OZPNSNBNGCXPQB-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1	1821920187	HLLLPAXZNRQCPR-VGOFRKELSA-N	416.525	5.081	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(O)c2)cc1C	10826114	DCARYPQSDXPUOH-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1cccc(O)c1	11153266	YVLZPCGNAMQHAF-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)cc1	14621472	VDOGMTPPCAVESB-UHFFFAOYSA-N	421.334	5.261	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	17291350	BSSUHDYGIRZCRB-AWEZNQCLSA-N	424.595	5.130	30	20	HKED	
CSCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	41549263	BZQJMRYEZXCRCW-CQSZACIVSA-N	406.454	5.668	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1	51133137	FYCKWMCCOOQULD-HYBUGGRVSA-N	410.583	5.003	30	20	HKED	
Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	57387793	LMDOSRCIBRCIHS-UHFFFAOYSA-N	415.493	5.550	30	20	HKED	
C=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)Cc1cccc([N+](=O)[O-])c1	63297787	AKOVKYSGVXKXGO-UHFFFAOYSA-N	409.530	5.468	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)c(C)s1	63441150	CEEIFXXKAAYRLM-UHFFFAOYSA-O	407.584	5.192	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1	65784447	YBTQRAHMVSJPAB-ZDUSSCGKSA-N	405.267	5.002	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3cccc(F)c3c2C)cc1	65870091	WLWOTFYHENTCQS-UHFFFAOYSA-N	408.498	5.415	30	20	HKED	
CCN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)[C@@H](C)c1ccc(C#N)cc1	108879310	GTFIMIALYUMSOG-HNNXBMFYSA-N	401.491	5.651	30	20	HKED	
C=CCn1c(SCc2ccnc(Cl)c2)nnc1-c1ccc(Br)cc1	216495997	DIVIFOFBGVSNHH-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(OC(F)F)c1	237453588	PWBAGOFAFRHPII-QGZVFWFLSA-N	408.448	5.589	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1	303408076	SYSWHFJRNBLYJK-WAIKUNEKSA-N	411.546	5.147	30	20	HKED	
CC(C)(CC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)C(F)(F)F	410174495	SQMKYCFOZCWRTM-UHFFFAOYSA-N	415.349	5.351	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCOC2(CCCC2)C1	426119177	IPUWCDXSDCUYRY-NRFANRHFSA-N	419.525	5.059	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cccc(SCC#N)c1	429786307	FBDFFXBNTAYIOM-UHFFFAOYSA-N	419.550	5.442	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1ccc(C#N)cc1	430195848	KWGWXPCRAVAOQW-DJJJIMSYSA-N	416.294	5.068	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1	433796322	LEXODZZBTIUBFK-GFCCVEGCSA-N	416.428	5.583	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Nc1ccccc1S[C@H](C)CC#N	434150343	LTIYZAPKKSAPIH-QZTJIDSGSA-N	419.554	5.839	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc3sc(C)nc3cc2Cl)cc1	435188872	PKWUODJNVSWMPC-UHFFFAOYSA-N	415.906	5.210	30	20	HKED	
CC(=O)c1ccc(O)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	436677782	FBMIAVOTKVVBNR-UHFFFAOYSA-N	406.825	5.164	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1	438051557	POHIDOAFAWQELQ-LSDHHAIUSA-N	418.588	5.299	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@@H](C#N)c1ccccc1F	439083158	GAUQUVGFZCVDTC-INIZCTEOSA-N	404.228	5.091	30	20	HKED	
CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	439323031	FIQUMFCEXYLDGZ-JPYJTQIMSA-N	411.571	5.133	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)SCc2ccc(C#N)cc2OC(F)F)c1	439528396	LSFAKIZNEPQBOH-LBPRGKRZSA-N	408.495	5.142	30	20	HKED	
CCCc1c(NC(=O)N2CCc3sccc3[C@@H]2CC)cnn1-c1cccc(C#N)c1	439674443	PNDJNIJESBDOKH-FQEVSTJZSA-N	419.554	5.299	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(C)(C)O[C@@H]2CCC[C@H]21	440972800	DKCTXKYALYCOAC-DHIUTWEWSA-N	419.525	5.010	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1	445830686	YLFWBCIHPCWSDP-CQSZACIVSA-N	404.457	5.627	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccncc1	465957933	RTWIMUQZKUAGSY-HXUWFJFHSA-N	406.873	5.672	30	20	HKED	
CC(C)(C#N)CCCN1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469449557	DEDIHNFVLYGNRK-INIZCTEOSA-N	408.386	5.427	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(OC(C)(C)C)CC2)cc1	469704066	PHYRORAMOOZEHP-UHFFFAOYSA-N	423.513	5.171	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccccc1C	471827594	QMPLPTBKRHPFFV-MRXNPFEDSA-N	404.539	5.247	30	20	HKED	
C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1	472117502	JHYJDHSMVBZMAG-AUSJPIAWSA-N	401.432	5.269	30	20	HKED	
Cc1nc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)ccc2n1Cc1ccsc1	472507536	VMDDKKASOVSTAR-QGZVFWFLSA-N	412.474	5.086	30	20	HKED	
O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc(CCC(F)(F)F)cc1	473253960	HZECMAMLPYWXKO-UHFFFAOYSA-N	408.317	5.547	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1	476163478	UXCAAJGVDCLXCC-UHFFFAOYSA-N	407.489	5.607	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1cccs1	476371033	CBGUEFVGOQATBQ-NRFANRHFSA-N	420.538	5.123	30	20	HKED	
C=CCn1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccc(OC)cc1	477437422	FJHZYWYKGBRXCH-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cc1	479568047	OXHMBRMYZPMSME-UHFFFAOYSA-N	406.551	5.273	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1c(F)cc(Br)cc1F	481247274	RMIAENSGJXRGTR-UHFFFAOYSA-N	421.694	5.662	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1C	481346073	SWUKGOCXCJYESB-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(C)cc1	481365879	AQMRJRZMRPHBJQ-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c3c(C)noc3n2)c(C)o1	483219970	VJVIQJAOLZJRSG-FQEVSTJZSA-N	422.444	5.446	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1	485210470	LUHASAKSBIVJFH-UHFFFAOYSA-N	408.683	5.429	30	20	HKED	
N#Cc1ccc(Br)c(CN[C@H](c2cccc(Cl)c2)c2ccccn2)c1	492697143	QWRKWCUUBMMWGF-HXUWFJFHSA-N	412.718	5.248	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)cc1	494236562	FACOULBDAXCLOO-BFLUCZKCSA-N	423.516	5.039	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	494327702	IKPKDAUYYSBHML-OALUTQOASA-N	421.953	5.819	30	20	HKED	
N#CCN(C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2)C1CC1	495501081	CXFUAIQVNMVXRS-BMRADRMJSA-N	413.908	5.503	30	20	HKED	
C[C@@H](C1CCC1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496341688	IBKYASQREOVBNP-LBPRGKRZSA-N	422.476	5.277	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc(C)nc21	499841186	TVSVMFOMAVNZJG-SJKOYZFVSA-N	416.312	5.012	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3OC(F)F)c2)cc1	501469838	GUPZBLMHEIYEMZ-UHFFFAOYSA-N	408.404	5.185	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)CC2)cc1	503618193	ZCKLXNOEKBNLSV-UHFFFAOYSA-N	420.944	5.523	30	20	HKED	
N#CC1(C(=O)Nc2nc(-c3ccc(OCc4ccccc4)cc3)cs2)CCCC1	505095765	YZSWXAFUBMXVPL-UHFFFAOYSA-N	403.507	5.412	30	20	HKED	
N#C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1cccc(Cl)c1Cl	505341957	FBNDOSMABJJMLA-HIFRSBDPSA-N	401.215	5.410	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1	505913651	VNOPJQNOCOGXJN-INIZCTEOSA-N	401.215	5.483	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	510897036	WQGOKSPTJVZPTG-CQSZACIVSA-N	412.349	5.109	30	20	HKED	
Cc1ccnc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12	513618766	GJLPPTLACLRJAE-GOSISDBHSA-N	403.894	5.810	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCc3cc(F)c(F)cc32)cc1	516393575	QIZWUMBZSSDMEH-UHFFFAOYSA-N	406.457	5.332	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1cccs1)N1CCCC1	518753717	ZCSUJHGWPROMNO-FUHWJXTLSA-N	414.600	5.101	30	20	HKED	
CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518909031	HUCCWPHRPBHVQY-OAQYLSRUSA-N	401.466	5.025	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc([N+](=O)[O-])c1	520599664	DJDXFVYDVVRIPE-HNNXBMFYSA-N	402.410	5.141	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccccn1	521748615	XUCPSXRXMJMJJD-VGOFRKELSA-N	402.523	5.244	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1	521810463	PPRZTABPMVDTAG-UZUQRXQVSA-N	419.525	6.131	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3cccc(Cl)c3)cc2)nc1	521961082	XBUHYOZMLYIEHD-OAQYLSRUSA-N	403.869	5.376	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)CCC2	522073849	FCUXFEOWFHOAMW-OAQYLSRUSA-N	418.522	5.657	30	20	HKED	
Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccccc1Sc1ccccc1C#N	522644161	IZWQWEOLMJOGIU-GDLZYMKVSA-N	420.559	5.149	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	524204329	KQKAAOWVROIODG-DNVCBOLYSA-N	402.416	5.098	30	20	HKED	
Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C	532972641	UBAPYHJOHNJASF-AVRDEDQJSA-N	407.583	5.473	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC=C(C(F)(F)F)CC2)c1	536036977	VIBBYPWYRMNJRE-UHFFFAOYSA-N	406.791	5.339	30	20	HKED	
C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccc(Cl)cc2n1C	538112794	KKYOYEVGHHMCHQ-MRXNPFEDSA-N	400.913	5.616	30	20	HKED	
C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc(OCc2ccc(F)cc2)cc1	539305835	RCYMTSSRIGGPBU-MRXNPFEDSA-N	423.513	5.017	30	20	HKED	
CCC(C)(C)OCc1ccccc1NCc1cn(CCC#N)nc1-c1ccccc1	542686583	QVAWPADYDNEEJA-UHFFFAOYSA-N	402.542	5.781	30	20	HKED	
C=CCn1c(SCc2sc(C)nc2C(F)(F)F)nnc1-c1ccc(F)cc1	542766934	SUKMYVIPILXOND-UHFFFAOYSA-N	414.453	5.346	30	20	HKED	
FC(F)(F)Oc1ccc([C@H](NCc2nc(C(F)(F)F)cs2)C(F)(F)F)cc1	542944416	PSNZFQLUAVTHKD-NSHDSACASA-N	424.288	5.454	30	20	HKED	
CCCCn1cc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1	543902623	GPMPYDSLGPCFGC-SFHVURJKSA-N	415.541	5.091	30	20	HKED	
COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1	544251477	WLRTVMOTQNUEAN-UQBPGWFLSA-N	411.505	5.105	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2nc(C)c(SCC#N)s2)cc1	546088654	YGVYUCVRNOZVOC-UHFFFAOYSA-N	401.557	5.003	30	20	HKED	
Cc1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(-c2ccccc2)o1	546155495	DPXCIPDZMQRLNA-AWEZNQCLSA-N	421.428	5.542	30	20	HKED	
C=CCOc1cccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1	551616330	XMFRUPIQBCQTHO-QFIPXVFZSA-N	405.460	5.528	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2	556608628	JJURKYWZSVRTAJ-SFHVURJKSA-N	413.493	5.142	30	20	HKED	
C=C(C)COc1cc(CN[C@H](c2cncc(Br)c2)C2CC2)ccc1OC	560065131	MHMNKMHTOKWBFX-NRFANRHFSA-N	417.347	5.049	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	572260359	ZSTUMYZVLMNLOX-WJMWBRGCSA-N	405.567	6.023	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccccc1CNCc1ccc(C#N)cc1C(F)(F)F	572685086	CFHQZXYJBCZGIA-QGZVFWFLSA-N	401.476	5.241	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1cccc(Cl)c1	579649829	KFUCWEJPAITFAT-IBGZPJMESA-N	424.932	5.143	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C(F)(F)F)s2)cc1	586751145	PSXDEJXXKOLXCW-UHFFFAOYSA-N	416.424	5.664	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(SC(c2ccc(F)cc2)c2ccc(F)cc2)n1	591614761	IDTINXBQMURESU-UHFFFAOYSA-N	410.445	5.290	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)cc1	604118054	QRAKJYXENBOOJX-MRXNPFEDSA-N	401.441	5.082	30	20	HKED	
CC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)ccc1F	607252347	WEWMXNPFSNGFJT-BHDSKKPTSA-N	418.328	5.188	30	20	HKED	
CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c(C#N)c1C	609033590	TULCRIDJWAZZLH-VXGBXAGGSA-N	423.321	5.154	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NCc1ccc(C#N)cc1F	609253884	ADFACWIOTNMIAY-UHFFFAOYSA-N	407.420	5.046	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)o1	610015283	DBIHXHGNNQIBGE-NRFANRHFSA-N	416.481	5.796	30	20	HKED	
C[C@H](NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1cccc(C#N)c1	610360756	FPFSHVIZKAEVKS-NYHFZMIOSA-N	408.473	5.547	30	20	HKED	
Cc1ccc(Cn2cc(C(=O)[C@H](C#N)c3ccccn3)c(-c3ccc(C)cc3)n2)cc1	613296425	DEJHISJYHCZOBJ-JOCHJYFZSA-N	406.489	5.100	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1C(C)(C)C	613319790	OXUXQANRFMEGTB-HNNXBMFYSA-N	412.946	5.467	30	20	HKED	
Cc1cc(C(C)(C)C)cc(C)c1CCNCc1cn(CCC#N)nc1-c1ccncc1	618965841	FIMKIZQCLGVVEL-UHFFFAOYSA-N	415.585	5.105	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2c(C)cccc12	619753784	HYCORSSEYFQXSU-AWEZNQCLSA-N	414.408	6.168	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	622283164	LGDORMWHLHUKAO-LLVKDONJSA-N	423.485	5.868	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1ccc2ccccc2n1	679405188	UQDZMKGCBFNEKY-AWEZNQCLSA-N	419.200	5.506	30	20	HKED	
N#C[C@@H](C(=O)c1cncnc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	685784324	ZALUVCHAHVZWAQ-AWEZNQCLSA-N	424.407	5.262	30	20	HKED	
O=C1/C(=C\c2ccc(OCc3ccncc3)cc2)Cc2c(F)cc(Br)cc21	727780906	WJQMCPHYVTYIFA-SXGWCWSVSA-N	424.269	5.385	30	20	HKED	
N#C[C@@H](C(=O)CCn1c2ccccc2c2ccccc21)c1nc2cc(F)ccc2s1	730422573	YUHDRIFMKNPVHA-SFHVURJKSA-N	413.477	5.810	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C	731069758	PVZWEUVWRYLMPK-ZBTAVZRMSA-N	422.550	5.201	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)cc1	731192499	FQXHQTRABJNLAG-HXUWFJFHSA-N	415.537	5.673	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@@H](O)c3ccc4ccccc4c3)c2)c1	731452646	HLFNIOCFXBPBOL-HHHXNRCGSA-N	408.501	5.114	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)NC(C)(C)c2ccc(C(C)C)cc2)ccc1OC	733645621	AEFBACRPLHMYDL-OAQYLSRUSA-N	423.557	5.234	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1	734083964	ULFXSFZIPJEIMK-IBGZPJMESA-N	405.523	5.248	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1O	734979333	NQIOQFFBNUEMII-NDEPHWFRSA-N	420.918	5.286	30	20	HKED	
CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1ccc(S(=O)(=O)C(F)F)cc1	735227802	ZQHGMZUDMLITMM-UHFFFAOYSA-N	423.872	5.029	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740059064	FCJLAJXSJRXMNQ-HNNXBMFYSA-N	409.942	5.843	30	20	HKED	
CCCOc1ccc(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc1OCC	741851948	GMYVTOXTQGYNOA-WQLSENKSSA-N	415.493	5.136	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2coc(-c3ccccc3)n2)cc1	743092821	DVXWOVFNCFRAKZ-QHCPKHFHSA-N	408.461	5.319	30	20	HKED	
CCCn1ccc2ccc(NC(=O)NCc3ccc(OC)c(O[C@H](C#N)CC)c3)cc21	743180626	ZSAUBJODIQPNNJ-FQEVSTJZSA-N	420.513	5.063	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1	744031408	WBMWUCGKYLFGRN-VUDGCMKMSA-N	422.337	5.108	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(C(C)C)cs3)cs2)cc1	747193631	KXTMBMGQGRGLNR-KRWDZBQOSA-N	411.552	5.208	30	20	HKED	
COc1ccc(/C=C(/Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1OCCCC#N	747361451	NKALDEUPZRHNKW-MDWZMJQESA-N	403.816	5.269	30	20	HKED	
COc1ccccc1C1(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CC1	749338865	IGQTXDYBOCQFRY-CYBMUJFWSA-N	410.445	5.005	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3nc(-c4ccco4)oc3C)n2)cc1	750393970	CAMGAVZSTYUGLL-MRXNPFEDSA-N	403.463	5.094	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1C#N	752293895	AZZRPCCPKDIPET-IBGZPJMESA-N	412.877	5.149	30	20	HKED	
COc1ccc(/C=C(/C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1F	754112210	DCQOVCOMODVXNW-WJDWOHSUSA-N	417.440	5.244	30	20	HKED	
CC(C)(C)N1C/C(=C/c2nc(Cl)cs2)C(=O)/C(=C/c2nc(Cl)cs2)C1	759077119	QENFTTVIXCTLJP-WIZYTBDYSA-N	414.383	5.057	30	20	HKED	
C=CC[C@H](NC(=O)N1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1)c1ccncc1	759583633	RXTNFLVDOVDSCE-LOSJGSFVSA-N	413.521	5.217	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1ccc(CC#N)cc1)C(F)(F)F	759887083	CERHXEWHOVHKTI-FQEVSTJZSA-N	413.399	5.016	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnc(-c3cccnc3)s2)c1	761676575	NJRFWKAZCDIUNF-UHFFFAOYSA-N	401.516	5.095	30	20	HKED	
Cc1nc([C@H](C)OC(=O)c2cc3ccccc3n2CC#N)oc1-c1ccc(Cl)cc1	763965221	HCVLLXAHLCLWRA-HNNXBMFYSA-N	419.868	5.700	30	20	HKED	
N#Cc1cc(NC(=O)c2sc3cc(F)ccc3c2Cl)c(Cl)c([N+](=O)[O-])c1	764303673	ZRQDKYHSBDIKKP-UHFFFAOYSA-N	410.213	5.379	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)c1c[nH]c2ncccc12	767890011	LIVRUWFAYHEAMM-QGZVFWFLSA-N	410.477	5.005	30	20	HKED	
CC(C)n1c([C@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)nc2ccccc21	769413463	RFVSXKWZCFLBMV-CTNGQTDRSA-N	402.542	5.288	30	20	HKED	
O=C(/C=C/c1ccc2ccc(Br)cc2n1)c1ncc(Br)s1	771528171	JRDGQMDGJKKSQD-AATRIKPKSA-N	424.117	5.112	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3c(Cl)cc(Br)cc32)c1	772983827	MBXBPRRJFUIALS-QRWLVFNGSA-N	419.750	5.561	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	773982331	FUPOCWHEOMHNRL-LRDDRELGSA-N	401.318	6.097	30	20	HKED	
CC(C)Cn1ccc2c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cccc21	774053828	PWQQPJHAHUIWHQ-JOCHJYFZSA-N	409.489	5.412	30	20	HKED	
CN(C(=S)Nc1ccccc1C#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	776266658	HBAJORNYWMJJCW-HKUYNNGSSA-N	403.473	5.542	30	20	HKED	
N#CCc1ccccc1CC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	776975199	NTVUBIQJNUQQRF-KRWDZBQOSA-N	401.306	5.161	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1	780306398	WXPOTODUWNFZDJ-FQEVSTJZSA-N	409.445	5.073	30	20	HKED	
N#CC1(COC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CCOCC1	780548360	VNWJUNHAQJILEM-UHFFFAOYSA-N	406.265	5.263	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccc(F)cc2)cc1	780671185	SDMFZMOWAZEFLW-HJPURHCSSA-N	419.456	5.036	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@@H](C)c1cccc(C#N)c1	782593750	VTTMLIHJVXUBLP-LBPRGKRZSA-N	400.356	5.459	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1	787045253	IPDISHSPUGVYAX-MSOLQXFVSA-N	423.925	5.053	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2ccc(-c3ccccc3)s2)c(-c2ccncc2)n1	788347951	DHNBUANEQIGVHL-FPLPWBNLSA-N	410.502	5.483	30	20	HKED	
Cc1cccc(Cl)c1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	790767680	IFXBGCWOODGFEW-ZDUSSCGKSA-N	402.853	5.469	30	20	HKED	
Cc1ccc(C2=NO[C@@H](CNC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1C	801628156	BYKGKEXLOMZTAP-IEBWSBKVSA-N	422.554	5.012	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)CCCCC3=O)cc1	810533860	XRSZPHHQFSHREE-ZHRRBRCNSA-N	402.494	5.070	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3cccc(F)c3C#N)s2)cc1	811689145	YLZLHPPWUAIESI-MHWRWJLKSA-N	412.877	5.100	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](CCCC#N)c1ccccc1	817320122	YDVXTSNKCHDXBY-NRFANRHFSA-N	407.514	5.507	30	20	HKED	
CCN(C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)[C@@H](C)c1ccc(C#N)cc1	914509583	RTVYFQTYLZWDNI-PABIAOKJSA-N	415.375	5.202	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc2ccccc2n1C(F)F	915107489	TZGSLVIDUKRKKS-SFHVURJKSA-N	421.447	5.150	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCSc1ccc(Cl)cc1	916899177	IAZXPKVVVUGPQW-LJQANCHMSA-N	414.958	5.295	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1	916949929	QHCAXFOFTUOMEH-GCKMJXCFSA-N	410.539	5.037	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ccc(Cl)cc3)n2)cc1	920139520	UCRBZFZVDKVANP-IBGZPJMESA-N	410.926	5.671	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC)c3)CCC2)cc1	1789456271	QJYNQUHTMGGGLY-HSZRJFAPSA-N	418.537	5.211	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1	1791727406	MIGKAWDDOSIDRS-UHFFFAOYSA-N	420.534	5.436	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1	1832603676	RDKBHCGOXPXSFL-WIYYLYMNSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1	20067865	YZHXWBXQGMRMNB-AWEZNQCLSA-N	423.929	5.688	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC)cc2)[n+]2ccccc2CC)cc1	22731322	VEUJQNQLVUAKQR-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
C=CCN(Cc1csc(-c2cccc(OC)c2OC)n1)Cc1ccc(Cl)s1	32769736	MDTZMZVBJXHAKU-UHFFFAOYSA-N	420.987	5.730	30	20	HKED	
CN(Cc1cccc(O)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	47565919	KKCVYFNFSFLVDR-NRFANRHFSA-N	405.885	5.365	30	20	HKED	
Cc1ccc([C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N(C)C)cc1	60155907	SESYCYBEINYZBP-QFIPXVFZSA-N	415.562	5.051	30	20	HKED	
N#CC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)CCCCC1	65806723	MZPWDIFUTMVZOY-UHFFFAOYSA-N	421.928	5.232	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1	96947772	AQIMLYAEMNGJQC-HJWRWDBZSA-N	400.500	5.280	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1	108865629	SWALXEBRKKLFPI-VWLOTQADSA-N	411.505	5.290	30	20	HKED	
O=C1/C(=C\c2cnn(Cc3ccccc3)c2)CC/C1=C\c1cnn(Cc2ccccc2)c1	215191616	PCUVXPDNITZSCB-KGRJIBJCSA-N	420.516	5.006	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1)C1CC1	261431502	ABUARSQDCPXQNF-RMKNXTFCSA-N	412.511	5.422	30	20	HKED	
CC(C)(C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1csc(-c2cccs2)n1	410006259	YPQHNOXHIBHAFU-AWEZNQCLSA-N	401.944	5.184	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	428890571	UYHHWKGWLJEFDA-SBHAEUEKSA-N	422.598	5.113	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c12	430629741	WXCIAZFSFYSMBP-CQSZACIVSA-N	408.527	5.468	30	20	HKED	
N#Cc1cnc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)c(Cl)c1	431570034	IPVXCVPQDTVOED-UHFFFAOYSA-N	418.909	5.106	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-c3cc[nH]n3)s2)cc1	431625178	NKZIJGVRPXSNKL-UHFFFAOYSA-N	416.462	5.063	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1	431878824	COZHGWXZCBJSKA-HOJAQTOUSA-N	401.432	5.296	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@@H](C3CCC3)C2)cc1Cl	432676879	BZZKPLWWIBZNDU-UGKGYDQZSA-N	423.944	5.276	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	432692424	CWKBOQZZYFKOAP-QFIPXVFZSA-N	415.493	6.044	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(C2CC2)nn1-c1ccccc1	436158222	SPYANMNZLQVRBE-GGAORHGYSA-N	411.509	5.053	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1F	437457822	FTEQLVZUHBTEJT-UHFFFAOYSA-N	404.294	5.298	30	20	HKED	
CC(C)(C)n1nc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1C1CC1	437464498	XQAMLYVTNNWSLY-UHFFFAOYSA-N	418.472	5.571	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1F	437488364	CXKXTIUTIDVSLZ-UHFFFAOYSA-N	413.408	5.326	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(Oc3ccccc3F)CC2)cc1	440719845	ZUAUICUFTIHAOS-UHFFFAOYSA-N	418.424	5.048	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)s1	444809141	CDRZETAWYNXWBG-NSHDSACASA-N	406.754	5.656	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F	448348365	JZMXUYPVHLPWIG-LLVKDONJSA-N	409.389	5.118	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCSc4ccccc43)cc2F)c1	460152920	VLEKSJTTXDPBBC-FQEVSTJZSA-N	418.493	5.494	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2Cl)n1	464948287	DXMRAJJNQMOHTM-PXNSSMCTSA-N	407.926	5.375	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccccc1CCC(F)(F)F	465270044	XYWXVEFYGSKZGN-AWEZNQCLSA-N	407.461	6.077	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(NC(=O)CC(C)C)cc2)c1	467417815	HTCAAMXZUBYWFD-FQEVSTJZSA-N	420.557	5.035	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1c(F)cccc1OC(F)F	467704423	DWTQLKFKQKBFGR-LBPRGKRZSA-N	409.433	5.143	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(F)ccc2OC(F)F)c1	470124680	UEPONJQAEOCBTC-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)cc1	473781575	BPYBKBZGSNVMHE-UHFFFAOYSA-N	418.522	5.189	30	20	HKED	
CC[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1	473901422	LBKMAJJFYQMLDO-JTQLQIEISA-N	400.319	5.201	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccn(-c2ccc(OC)cc2)n1	475558766	ALDNEDXJSBCZPU-UHFFFAOYSA-N	404.514	5.055	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C)c1ccc(F)c(F)c1	477728658	PPXZKPBMWBTBLB-RDTXWAMCSA-N	407.530	5.873	30	20	HKED	
C=CCC1(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CCC1	478676213	OJSZSCYXKZHBKE-UHFFFAOYSA-N	400.881	5.094	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Cl)ccc1OCCOCC	481630586	VTJNCVMVSKAISC-UHFFFAOYSA-N	406.885	5.115	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1	482564694	KWRAXNUKOMHPPY-AWEZNQCLSA-N	403.294	5.387	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nccc2ccccc12	483235440	LYCVZFIQSFUVJQ-HXUWFJFHSA-N	400.384	5.795	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	483480773	WUWKEQMYIALVMK-XOKHGSTOSA-N	420.456	5.579	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1cc([N+](=O)[O-])ccc1C	484572565	PFHLIVPEORFCFE-INIZCTEOSA-N	410.499	5.113	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1	487430665	OXBCYKUQYACVEB-UHFFFAOYSA-N	413.924	5.131	30	20	HKED	
C=CCn1c(SCc2ccc(OC(C)C)c(Cl)c2)nnc1-c1ccncc1	487680946	XHXFORCGHOVMRX-UHFFFAOYSA-N	400.935	5.259	30	20	HKED	
C=CCn1c(SCc2cc(C)ncn2)nc2sc(-c3ccccc3)c(C)c2c1=O	488279471	CXCFYWUXNHEMNU-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccccc1CN1CCc2ccccc21	490376777	VOYMMWKHLVSSIP-UHFFFAOYSA-N	401.510	5.105	30	20	HKED	
COc1cc(C#N)ccc1CN[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1	500870883	XFZBKYAPXKOHOI-QHCPKHFHSA-N	410.489	5.446	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C	503552971	VSQQZGJHMOWPGX-FQEVSTJZSA-N	422.495	5.554	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nccn3C(F)F)n2)o1	504547598	NRTCIRBRNOJGHM-UHFFFAOYSA-N	414.359	5.424	30	20	HKED	
Cc1nc(CCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)oc1-c1ccccc1	505308984	WWCGSAKMMLTROG-QGZVFWFLSA-N	414.292	5.271	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)n1	505428313	LIUBDQHAAPLWHR-HNNXBMFYSA-N	421.407	5.095	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2)cs1	505922496	IAKYDYRCABVUEZ-QGZVFWFLSA-N	401.413	5.132	30	20	HKED	
CCc1c(C(F)(F)F)noc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	505925614	VGDXORZPJNSKLX-UHFFFAOYSA-N	415.371	5.366	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C1CCCCC1	506511810	QOPYGBTVVAJANU-QGZVFWFLSA-N	408.354	5.248	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1	506818850	MZPLMAJMLRJZBR-UHFFFAOYSA-N	420.557	5.033	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3c(F)cccc3N3CCCC3)c2)c1	512536523	JMNSMWLRHRZCLO-UHFFFAOYSA-N	415.512	5.166	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Sc2ccccn2)cc1	518137685	NIXXQTFSWPAMSF-INIZCTEOSA-N	405.548	5.737	30	20	HKED	
CCOc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518150877	HQVCJGBRWUBAMS-UHFFFAOYSA-N	424.444	5.127	30	20	HKED	
N#C[C@H](C(=O)c1cc2sccc2s1)c1nc(-c2c(F)cccc2F)cs1	520431631	WSIZOVQFTXCGBS-SECBINFHSA-N	402.472	5.855	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1	522922161	AORPAEMULHXURD-UHFFFAOYSA-N	402.523	5.484	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)cc1	523420836	CHHRBUMXMALJTK-RBBKRZOGSA-N	417.553	5.219	30	20	HKED	
C=CCCCCCN(C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	524838044	ZRHBTOZOLGAPBB-SFHVURJKSA-N	411.521	5.527	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(SC4CCCC4)cc3)CC2)c1	532507762	NXUOGPFZMJZUSI-UHFFFAOYSA-N	421.566	5.668	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)c1ccccc1	534641707	JBFCQKLDQKVCSI-RTWAWAEBSA-N	416.468	5.078	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1	538982182	NURYBPSVDKVGHB-IBGZPJMESA-N	410.395	5.656	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	542958939	PXRLIMCLEPEDGV-XOBRGWDASA-N	423.879	5.151	30	20	HKED	
Cc1cc(C)cc([C@@H]2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1	543246586	VCJRUIHULKKVLJ-VQTJNVASSA-N	407.583	5.126	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)c1occc1COc1cccc(C#N)c1	543496271	CEBJCGIMZVMING-UHFFFAOYSA-N	418.493	5.688	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1	548612349	KRWXAFYTYVHUQG-OAQYLSRUSA-N	410.304	5.512	30	20	HKED	
N#C[C@H](C(=O)c1cccc2cccc(Br)c12)c1cnc2ccccc2n1	556934092	NBZODMZJFZSQDV-HNNXBMFYSA-N	402.251	5.036	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1	558133433	RDPYNTJRJWSPSA-DHIUTWEWSA-N	414.509	5.187	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1)C(C)C	559882031	HZMWPMCMVMGKCY-UHFFFAOYSA-N	405.523	5.091	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1c(F)cccc1F	561135790	GCABVOBDZDOSBU-KBPBESRZSA-N	406.523	5.792	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	561721744	FVFCKMLMDMJCEL-UHFFFAOYSA-N	411.436	5.340	30	20	HKED	
CCC[C@]1(CO)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	571917079	GJXQWAPZLXZXGX-REWPJTCUSA-N	411.933	5.012	30	20	HKED	
N#CCCC[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1	573273514	LTFWIPNBVIGAGQ-JOCHJYFZSA-N	412.459	5.475	30	20	HKED	
CC(C)c1c(NCc2nnc(-c3ccc(C#N)cc3)o2)cnn1-c1ccccc1Cl	577028455	FEEVPDLHSVGBIN-UHFFFAOYSA-N	418.888	5.183	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc(C)nc21	587988859	ZUNPWEUGCUQMAO-IUODEOHRSA-N	423.929	5.464	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4ccccc4C3)cc2Cl)cc1	604088454	ZEULWZIDNVZIOD-UHFFFAOYSA-N	403.869	5.594	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1F	605075151	RMRGXUCVEIGIIT-SFHVURJKSA-N	404.441	6.040	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3cn(Cc4ccccc4)c4ccccc34)[nH]c12	605363106	JFPOAGJGAXRYLG-HXUWFJFHSA-N	404.473	5.364	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4cnccn4)c3)n2)cc1	606145532	IHFAPXNUYRRMPN-IBGZPJMESA-N	412.474	5.191	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608110393	WIMKUEQJZLSCBE-YYWXWVFPSA-N	413.377	5.420	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1C	608805702	AKZPNRPUTXLLBV-UHFFFAOYSA-N	417.465	5.030	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc2ccccc21	609159646	KDESCAUOULYLSP-UHFFFAOYSA-N	422.204	5.198	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCc3cnn(-c4ccccc4)c3)c2)cc1	609176254	CLJPAIDODFBDMH-UHFFFAOYSA-N	408.461	5.108	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	609205637	MCVJXWPQYQJVQX-UHFFFAOYSA-N	413.521	5.731	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccccc2OC(F)F)cc1	609297010	AWJOVLNWRDHFRA-UHFFFAOYSA-N	412.367	5.021	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)ccc1Cl	609376670	HUCPKWZVPHJRDU-NSHDSACASA-N	409.736	5.607	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	609413876	CBERPBQVBBSETR-MSOLQXFVSA-N	403.309	5.442	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609928365	SDBCDYJPLMLGPD-QFBILLFUSA-N	416.456	5.295	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1C	610053469	FSEJALMDDBMLPN-UHFFFAOYSA-N	406.489	5.209	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1Br	610240649	JJNHYVFWBBYGHG-VYDXJSESSA-N	424.125	5.240	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c(Cl)c1	611096133	QWDDITPAHOGFCK-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
N#Cc1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)s1	611271534	PRISZYOVFSUSGX-QHCPKHFHSA-N	422.598	5.308	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)n2)cc1	613318799	GGSBOFKJGZWQPM-KRWDZBQOSA-N	406.555	5.684	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(Cc3nc4cc(Cl)ccc4s3)no2)cc1	615130915	DBPGMCCYYUVEOA-QGZVFWFLSA-N	421.913	5.137	30	20	HKED	
COc1ccc(C#N)cc1CN1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1	618552079	YMTWRPQOBXMEQG-SFHVURJKSA-N	419.550	5.079	30	20	HKED	
CSc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1F	678028170	NADHMJYRCODNEW-LLVKDONJSA-N	410.417	5.666	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1NC(C)=O	726428126	FIMFACIZJQGFBO-ACCUITESSA-N	401.462	5.129	30	20	HKED	
C#Cc1ccc(C(=O)O[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nc1	729008893	JLKPKEMTFFHUGR-MRXNPFEDSA-N	415.880	5.032	30	20	HKED	
N#Cc1ccc(NC(=S)N(CCc2ccc(Cl)cc2)CC2CC2)cc1Cl	734987653	WZMYOHZXDCYKAW-UHFFFAOYSA-N	404.366	5.517	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	741110929	DVOVCMYXKVKBTO-IAQYHMDHSA-N	402.928	5.315	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(CC(F)(F)F)cc3)c2)s1	743187812	BVYOZSMRLQKOQR-UHFFFAOYSA-N	415.440	5.713	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1cccc(Cl)c1	745724265	NVIBFAAHZVCWAV-UHFFFAOYSA-N	409.917	6.063	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)C2CCCCC2)c1	745821650	SSTVCUAPYGRBBY-HSZRJFAPSA-N	405.542	5.412	30	20	HKED	
O=C(/C=C/c1cnc2ccc(Br)cn12)c1ccc(-c2ccncc2)cc1	745990828	YZMOYJCNXRODNJ-VOTSOKGWSA-N	404.267	5.055	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cs2)cc1	747193632	KXTMBMGQGRGLNR-QGZVFWFLSA-N	411.552	5.208	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1	751085606	XHMIMMSPWSUECL-OAQYLSRUSA-N	405.295	5.286	30	20	HKED	
N#C[C@@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc2ccccc2s1	751826065	QBWHNIZXXUWAAS-IKIYBABPSA-N	404.457	5.621	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2cc(Cl)ccc2Cl)cs1	751895925	XDWHMBCYWWYZKA-UHFFFAOYSA-N	423.300	5.720	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1nc(-c2cc(Cl)ccc2Cl)cs1	753897321	RPPXCEHXMCULEJ-OVCLIPMQSA-N	424.378	5.619	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C/c3ccc(-c4nc5ccccc5s4)o3)ccc21	754690423	VVDLRVMOEJOBBP-DHZHZOJOSA-N	414.486	5.361	30	20	HKED	
CC(C)CC1(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCC1	756580401	ZWLNRQCJGHYIEO-KRWDZBQOSA-N	402.560	5.027	30	20	HKED	
Oc1nc(NN=C2CCCc3nc(-c4ccc(Cl)cc4)sc32)nc2ccccc12	757582731	DLFSUALIZCLRPP-UHFFFAOYSA-N	421.913	5.265	30	20	HKED	
N#Cc1cccc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c1	759054911	HJOUBHJVACCDHW-UHFFFAOYSA-N	406.121	5.903	30	20	HKED	
C[C@@H](Sc1ccccn1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	762067021	FIEOPWYFQUIHHT-ZYHUDNBSSA-N	407.442	5.067	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)Cn2c(C3CCCCC3)nc3ccccc32)n1	762077684	TUQALTFIPLYTIF-QGZVFWFLSA-N	406.555	5.540	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccccc2OCC(F)F)cc1	762215954	UCKIOLUCLDLMRX-LJQANCHMSA-N	407.420	5.630	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(C#N)s2)ccc1OCc1ccc([N+](=O)[O-])cc1	762443525	QBXFABZEYFPZED-RUDMXATFSA-N	420.446	5.012	30	20	HKED	
Fc1cccc2[nH]cc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)c12	763354091	HVQJDZZEKQVFJM-UHFFFAOYSA-N	406.273	5.043	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1cccc(C(F)(F)F)c1	764302271	RJOMJJOFECACPK-JTQLQIEISA-N	411.767	5.271	30	20	HKED	
Cc1oc2ccccc2c1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	767960106	PRPIYQYDIVPVOM-OAQYLSRUSA-N	424.456	5.424	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1ccsc1NC(=O)c1ccccc1Cl	768697232	IDHIWYBIDFGATN-UHFFFAOYSA-N	404.919	5.531	30	20	HKED	
CC(C)Oc1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C#N	771883328	BQCBJDDMOSLNCW-UHFFFAOYSA-N	411.811	5.068	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(OCc3ccccc3)cc2)c1	772982523	HIJKVUTXSRMILR-RDPSFJRHSA-N	400.522	5.797	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2oc3ccc(OC)cc3c2C)ccc1OC	772984296	CVOKEIKQEOIJFB-AEFFLSMTSA-N	408.498	5.290	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1	775540500	WEUZHYVMOAULSP-NHCUHLMSSA-N	412.537	5.043	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1ccc2ccccc2c1	776076476	GRNUVGNRJAJKJB-DEOSSOPVSA-N	412.533	5.635	30	20	HKED	
FC(F)Oc1c(Br)cccc1C=NOc1ccccc1C(F)(F)F	776776256	PJOOBSAEBAIHPO-UHFFFAOYSA-N	410.136	5.482	30	20	HKED	
C#C[C@H](OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)C1CC1	779233424	BLZNVGMTAOAXSK-JZFOSTCZSA-N	408.382	5.064	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2/C=C/c2ccccc2)c1=S	779890030	SSHXPPRFMRDEET-NELJVSICSA-N	417.582	5.187	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	780302641	QDJPWPHRMGYAHU-NRFANRHFSA-N	407.473	5.473	30	20	HKED	
C[C@H]1C(=O)CC[C@@H](C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)C1(C)C	781313853	IOYCADPQPBVHRX-UGKGYDQZSA-N	403.522	5.071	30	20	HKED	
COc1ccc(SCCCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	781469292	JOSGVALFZOOBJS-MRXNPFEDSA-N	400.500	5.193	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)c(F)c1C	785877661	YZKYAACFHIXICT-CQSZACIVSA-N	402.347	5.148	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	785879585	FFTGWBZXQUWSRN-LJQANCHMSA-N	406.486	5.023	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1)c1ccccc1	786475731	UGMPWFFAFWOJRH-OAQYLSRUSA-N	411.933	5.097	30	20	HKED	
COc1ccc(/C=C2\N=C(SCCCCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1	788143009	DECXIPQDGQYNKG-JWGURIENSA-N	419.550	5.483	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	794111255	NXMSYELQAXLIQW-UHFFFAOYSA-N	402.344	5.175	30	20	HKED	
Cc1sc2nc([C@H](C)OC(=O)c3sc4ccc(C#N)cc4c3C)nc(O)c2c1C	796626323	QOMZGRXNMXWXBY-NSHDSACASA-N	423.519	5.327	30	20	HKED	
CC(C)(CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(F)(F)F	796644700	YFYCLSNLNIYKSJ-LLVKDONJSA-N	421.271	6.272	30	20	HKED	
C=CC[C@H](OC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(Cl)c(Cl)c1	797554954	PEWBRNJHKWMDSX-KRWDZBQOSA-N	409.313	5.827	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)s1	797567897	CASBAQFQHFZDEG-LBPRGKRZSA-N	401.582	5.353	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1	802043531	FITXCRLNQFIWFT-WMZOPIPTSA-N	418.415	6.024	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccnc(C(F)(F)F)c1	808360434	HUYAEROLTZYGDP-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	808816954	ZGWZJSACASXXIO-TYPHKJRUSA-N	415.459	5.927	30	20	HKED	
Fc1ccc(OCc2nnc(S)n2N=Cc2sc3ccccc3c2Cl)cc1	839416780	QKTYIYYZGVEHOQ-UHFFFAOYSA-N	418.906	5.035	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1ccccc1Br	852255085	OJAXRSAWOFWFDK-UHFFFAOYSA-N	417.347	5.685	30	20	HKED	
N#Cc1cc(Br)ccc1Cc1nc(-c2c(Cl)cccc2Cl)no1	904305384	ACPLODHZPONYIB-UHFFFAOYSA-N	409.070	5.268	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccs1	916137334	VIZSFKFIRHJIBI-DAXSKMNVSA-N	404.241	5.575	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OC2CCCC2)cc1	916905288	BWBUFMWPZMWAJD-JOCHJYFZSA-N	404.510	5.094	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1	916948173	SKZZWHMHNWWHGT-HTAPYJJXSA-N	404.510	5.073	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	917509751	PAXSQYDADSZMGW-CQSZACIVSA-N	416.289	5.078	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C(F)(F)F)n1	918381858	DQODZUPKWDMONJ-UHFFFAOYSA-N	420.778	5.009	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Sc2ccccc2)c2ccccc2)n1	920326330	CETFJNWVUUEFNK-YLJYHZDGSA-N	422.531	5.030	30	20	HKED	
CC(C)(C)N(N=Cc1cccc(OCC#N)c1)C(=S)Nc1cccc(Cl)c1	920385053	KPDJLSPATOECRB-UHFFFAOYSA-N	400.935	5.074	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cc(Cl)c1O	920481058	UFRNSEKNSGESTO-BAQGIRSFSA-N	400.780	5.282	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C)CCC2)cc1	1789453313	VNBLDOUUFBIFLE-OAQYLSRUSA-N	406.526	5.413	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824629130	VBNYEDNCFGLITL-HXUWFJFHSA-N	424.576	5.056	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1	1831599553	SYTILJAEBOTJJJ-BWKNWUBXSA-N	424.629	5.184	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccccc2CC)cc1	10172695	LTQRDRSWGVWBFL-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(C)cc1	14082392	WFPCPASGLGBAPO-UHFFFAOYSA-N	420.582	5.295	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cs1	25840609	MKZQEFYPFDNMQF-UHFFFAOYSA-N	407.564	5.797	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	26036451	LBYJSWSAEARWGK-UHFFFAOYSA-N	423.416	5.146	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1Br	41534151	HXOQLUZTTMYOIC-AWEZNQCLSA-N	413.296	5.071	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1ccc(C(F)(F)F)cn1	41552054	HOHFVWSAIMSZJB-LBPRGKRZSA-N	409.161	5.099	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1F	42710444	SSTDGDCPFKQHHR-UHFFFAOYSA-N	419.481	5.200	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	63962343	LAJJFUKZLBUKOP-UHFFFAOYSA-N	409.898	5.395	30	20	HKED	
N#CC1CCN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1	147123334	JFXDRZUCOGIWAJ-UHFFFAOYSA-N	405.350	5.661	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1nc(-c2ccccc2)oc1C	302992571	WOMDZEORHUOQBY-UHFFFAOYSA-N	424.460	5.199	30	20	HKED	
CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2sc3ccc(C#N)cc3c2C)n1	426606057	STPIZKJJTRRGCF-QHCPKHFHSA-N	416.506	5.187	30	20	HKED	
O=C(NC[C@H]1CCC(F)(F)C1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	432489262	OORBRQMOZPNQJQ-JOYOIKCWSA-N	404.301	5.043	30	20	HKED	
COc1ccc2c(c1)c(C(=O)[C@@H](C#N)c1nc3ccccc3o1)c(C)n2C1CCCC1	434425601	PYDPONDBULHHKD-LJQANCHMSA-N	413.477	5.705	30	20	HKED	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	435102459	HTVISWLOIXWSCZ-UUOWRZLLSA-N	424.504	5.220	30	20	HKED	
Cn1cc(CN[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c(-c2ccc(C#N)cc2)n1	435751340	QXWFEUGULUILLX-XGAFWQRZSA-N	410.443	5.013	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)N(CCC#N)c1ccccc1	439621912	XSGHYEYLHROWOI-QGZVFWFLSA-N	420.900	5.275	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1	439667690	LIBKBXCFGWWXLT-QFIPXVFZSA-N	417.488	5.205	30	20	HKED	
Cc1ccc(NCc2ccc(C#N)s2)cc1Oc1ncccc1Br	448354339	JXBLDSHLEMGJBH-UHFFFAOYSA-N	400.301	5.490	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	462032606	LJMCDYDCNWONGX-UHFFFAOYSA-N	417.412	5.173	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(-c4ncc5n4CCCC5)c3)CC2)cc1	463716317	RMOVUOLLWYJDGS-UHFFFAOYSA-N	423.520	5.079	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C	463748711	YNRCCJMIPMHTQS-CYBMUJFWSA-N	417.456	5.701	30	20	HKED	
COc1ccc(CSc2nnc(SCc3ccc(F)c(C#N)c3)s2)cc1	468648445	LGUJDBVMBAMTAK-UHFFFAOYSA-N	403.529	5.142	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)Cc1ccc(Cl)cc1	469955339	DKHPNSNQKRJKIJ-QGZVFWFLSA-N	423.944	5.130	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nn(-c2ccccc2)cc1C	471777830	CFUJIIHHGJJRHN-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)c(Cl)c1	476975694	RECPRJNMKSYJHZ-QAPCUYQASA-N	403.707	5.014	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OC(F)(F)F)c3)n2)cc1	477872956	GNYTYXPVFKOUEC-INIZCTEOSA-N	418.396	5.207	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc2c(cc1SC)OCCO2	480650227	TVNYMIJRQLGIMU-UHFFFAOYSA-N	410.948	5.115	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1)c1ccc(F)c(F)c1	480799646	LPJQHYXFLJQUIK-LJQANCHMSA-N	421.875	5.197	30	20	HKED	
C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481618897	AGIXCXXEGKTRCQ-HNNXBMFYSA-N	409.486	5.563	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OC2CCCC2)c1	485519034	KJSVLWBLXUGWHU-INIZCTEOSA-N	410.539	5.663	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2cc(Cl)cc(C#N)c2)cs1	487262321	BGFJKFFSCCXQMQ-UHFFFAOYSA-N	418.305	5.585	30	20	HKED	
N#C[C@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1ccc(C(F)(F)F)cn1	495299413	OLAVMXHYEBZFQV-HNNXBMFYSA-N	423.822	5.350	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	499854135	XWIYFZJMOMZPLH-QFIPXVFZSA-N	408.860	5.129	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccccc1Cl	499961385	XAXBBRIUSZFDAJ-OAHLLOKOSA-N	409.923	5.673	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1nc(-c2ccccc2)cs1	504035926	LMRXPUUFQGHHAT-LBPRGKRZSA-N	414.437	5.166	30	20	HKED	
Cc1cc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)nn1CCC#N	504101178	XBDPBZRJAWUGHW-QFIPXVFZSA-N	424.957	5.220	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(C#N)ccc3Cl)c2)cc1	506662851	PFVLSOGBGJTTMN-UHFFFAOYSA-N	401.853	5.109	30	20	HKED	
N#CC1(CCCSCc2cn(-c3ccccc3)nc2-c2ccccc2)CCOCC1	507723059	KUMANSJZDPQWEB-UHFFFAOYSA-N	417.578	5.873	30	20	HKED	
CCCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	512162798	KDMIRCWOYOOUCE-UHFFFAOYSA-N	402.498	5.122	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1	515778862	CESKCLYCHQWMQS-FQEVSTJZSA-N	412.331	5.004	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sccc3Br)n2)cc1	518516664	RFHQUNULEAHZEZ-GFCCVEGCSA-N	419.325	5.133	30	20	HKED	
CC(C)c1ncc(Cl)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1	520970198	RVVSWZHGYUSLIC-UHFFFAOYSA-N	420.900	5.151	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	521809109	VLDGDYJNKZYYNZ-CABCVRRESA-N	410.568	5.915	30	20	HKED	
CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	522705584	PUFTYPHABRZPCP-HQRMLTQVSA-N	413.974	5.791	30	20	HKED	
CC(C)c1ccc(CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C2CC2)cc1	524443332	PANUQAKKRIJDNN-UHFFFAOYSA-N	417.553	5.028	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(Br)c3)o2)nnc1C1CC1	525109690	QDOVTLJFAHRVDN-UHFFFAOYSA-N	417.332	5.051	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)cc1	525367320	DZQHPOCXLUPEPA-UHFFFAOYSA-N	416.877	5.597	30	20	HKED	
CCC(CC)c1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)on1	525570845	WCMCUNCZYHNVGG-JOCHJYFZSA-N	403.482	5.152	30	20	HKED	
OC1(C(F)(F)F)CCC(N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	525858603	LPMJGWMJCJXENX-MOKVOYLWSA-N	423.319	5.525	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](c1ccc(F)cc1)C(C)C	533703440	VSQSQPNGGGODQJ-QFIPXVFZSA-N	403.457	5.571	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1Cl	537577325	ITAKXDVFEGQGFZ-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21	540555052	GVAXTZVJDWWKFM-PBHICJAKSA-N	415.946	5.627	30	20	HKED	
Cc1ccc(C2(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CCOCC2)cc1	541073395	WBSJACXCRZTKAH-OAQYLSRUSA-N	424.544	5.459	30	20	HKED	
C[C@@]1(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCCO1	542159507	DWOOUDOTYGOHIN-YPMHNXCESA-N	423.275	5.013	30	20	HKED	
CN(C(=O)c1ccccc1-c1ccccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	542566128	PXIJMNRTJNTIPZ-SQJMNOBHSA-N	414.480	5.357	30	20	HKED	
Cc1ccccc1C1=CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	543872003	GLBZOPSKERBBHF-UHFFFAOYSA-N	422.488	5.050	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)N[C@@H](CCCC#N)c3ccccc3)s2)cc1	550831603	XXPFTDXTQAUXOW-JTSKRJEESA-N	405.567	6.213	30	20	HKED	
CCc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1	551527437	QDKSNWZYLICPRM-UHFFFAOYSA-N	415.371	5.481	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCC(OC(F)F)CC1	552139626	ONWAVKIEYSFQIM-UTVJUBTNSA-N	419.312	5.223	30	20	HKED	
Cc1ccccc1CNc1ccccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	552430951	MXQXGYKLFPGDJA-UHFFFAOYSA-N	401.485	5.534	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)cc1	556484549	ABRFIEZXIMUUCV-UHFFFAOYSA-N	406.379	5.294	30	20	HKED	
O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccoc1C(F)(F)F	572295647	UGGPRAAOQNQGPX-UHFFFAOYSA-N	413.224	5.081	30	20	HKED	
N#CCCN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(F)cc1	576184805	QOQDBKOLARLOPS-UHFFFAOYSA-N	418.346	5.545	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c3c(C)noc3n2)c(C)s1	590841266	OMPLVQSQBGSJQK-IBGZPJMESA-N	420.469	5.010	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1	592328854	TUWJHTUYXWWALJ-UHFFFAOYSA-N	420.582	5.049	30	20	HKED	
Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2)cs1	592974579	UOGRXFOGBBNYBR-KRWDZBQOSA-N	423.494	5.269	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cc3ccccc3o2)cc1Cl	604387583	JIBPDMAUUVTZTJ-OAQYLSRUSA-N	400.865	5.923	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1OC	604455786	UKUFAIZELUMICR-UHFFFAOYSA-N	404.869	5.227	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4nc(C)cs4)c3)n2)cc1	607008939	FQHLNUPPWWMMLD-IBGZPJMESA-N	415.543	6.041	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608329022	IAMOWKJVEMGKQC-GHMZBOCLSA-N	422.291	5.386	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1	608915703	VUCRSMAAVJSEKW-UHFFFAOYSA-N	418.585	5.765	30	20	HKED	
COCc1cccc2sc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)nc12	609210808	JCJAJLGATQUTRC-UHFFFAOYSA-N	408.527	5.004	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCNc1ncc(Cl)cc1Cl	609437164	UCOHHXMYEPEKRU-GFCCVEGCSA-N	424.357	5.016	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)s1	609589160	KKXKZPLNGQZLFD-ZDUSSCGKSA-N	422.362	5.410	30	20	HKED	
CSCc1c(C(=O)N[C@H](C#N)c2ccccc2Br)oc2ccccc12	609593411	WJALMZDLCFOUKT-MRXNPFEDSA-N	415.312	5.053	30	20	HKED	
CC[C@H]1c2ccccc2CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609626341	DEZDBBANNZJYRN-NRFANRHFSA-N	402.523	5.147	30	20	HKED	
CCCN(C(=O)Nc1cc(C#N)ccc1OC)[C@H](C)c1ccccc1Br	610016583	BRJOFMXXPLKVNC-CQSZACIVSA-N	416.319	5.334	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](OC(F)F)C2)cc1Cl	611595194	WKQHNVLWQDWJRO-AEFFLSMTSA-N	419.859	5.231	30	20	HKED	
Cc1cc(-c2cc(C(=O)N3CCC[C@@](C)(C#N)C3)c3cnn(C(C)C)c3n2)c(C)s1	612242171	AHQFZBCLDQBHHN-QHCPKHFHSA-N	421.570	5.123	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613405068	UNCUFWZFETXLKL-NSHDSACASA-N	409.458	5.694	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[nH]c(C)c1C(C)=O	614673913	YTRBGNMGZGNGFZ-FQEVSTJZSA-N	419.912	5.649	30	20	HKED	
O=C(Nc1ccc(F)cc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642397246	QOODFWWDQNIUKR-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H]1c1ccc(O)cc1	642704511	XCVHWYUIZGZZPN-QHCPKHFHSA-N	411.509	5.117	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	674304844	YCVNOIQQXANBQM-OCAPTIKFSA-N	411.239	5.047	30	20	HKED	
COC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	728767156	WLYSOTKVHBAHNZ-INIZCTEOSA-N	411.870	5.132	30	20	HKED	
C[C@H](CC#N)N(C)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccco2)c1=S	728902949	YUHNIPUGZHBLCI-QGZVFWFLSA-N	423.586	5.211	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccccc2C(F)(F)F)cc1	729888772	OJCWBMUSRKRRCF-KSSFIOAISA-N	402.416	5.109	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc3cc(F)ccc3s1)O[C@@H](C)C2	730418750	ZFOOVQFXMXJOEA-YMKHFMGBSA-N	422.481	5.047	30	20	HKED	
O=C1/C(=C/c2ccc(OCc3occc3C(=O)O)cc2)CSc2ccc(F)cc21	730951379	MXBGJYMFMKHYIE-NTEUORMPSA-N	410.422	5.068	30	20	HKED	
CC[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)CC(C)C	732214503	HLHWTZDDLDXQMY-JTHBVZDNSA-N	412.537	5.333	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2nc(C)c(-c3ccccc3)s2)c1	733799404	JMWGIPXIPLTZCH-SFHVURJKSA-N	406.511	5.121	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740483729	VUULGEZZCRQIMG-UHFFFAOYSA-N	405.498	5.324	30	20	HKED	
CS[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	740539855	WCHLGVVLLYFMPI-DJJJIMSYSA-N	400.475	5.369	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(C)c(F)c(C)c2)cs1	741466983	IGUCMWBSSLQOBM-JXMROGBWSA-N	408.498	5.788	30	20	HKED	
CSc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1F	741763809	ZWMRGBFWDUADAT-UHFFFAOYSA-N	421.423	5.255	30	20	HKED	
FC(F)(F)COc1ccccc1CON=Cc1cccc(OCc2ccncc2)c1	742461847	GBDILLDFPLNTJH-UHFFFAOYSA-N	416.399	5.152	30	20	HKED	
Cc1c(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)oc2c1ccc1ccccc12	744466795	UUFAFCYBTRWCRR-UHFFFAOYSA-N	409.401	5.173	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3cc(F)ccc3C2=O)cs1	747440974	WVCQTSNGYJGUKN-ATVHPVEESA-N	406.482	5.488	30	20	HKED	
C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCO1	760006583	HURFGCLVZJESOL-AZGAKELHSA-N	411.505	5.122	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F	762314106	SHYJXWGXJIWGIB-XMMPIXPASA-N	418.443	5.026	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1cccnc1)c1cc(Br)ccc1F	763121840	KJVSTELUKAMPMG-YFHOEESVSA-N	412.258	5.458	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)c(Cl)c1	769543035	DBKIMXOXHYEUMB-MRXNPFEDSA-N	423.900	5.091	30	20	HKED	
Cn1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1	771111942	HYPHODMBLMLKJQ-GOSISDBHSA-N	405.889	5.250	30	20	HKED	
N#CCOc1ccc(CN[C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)cc1	772957590	AISFBLKIEOMNNG-IBGZPJMESA-N	409.942	5.533	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1	775401755	RWSBRNIZTFYBFA-HXOBKFHXSA-N	405.542	5.311	30	20	HKED	
N#CCC[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1	776252876	IPWYIRAFDUQTDI-MRXNPFEDSA-N	424.136	5.052	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cc3ccccc3s2)ccc1O[C@H](C)C(=O)N(C)C	780188521	LQCOEQPXRYKFQG-YBHKSSGVSA-N	423.534	5.052	30	20	HKED	
N#C[C@H](C(=O)CCCCC(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	783364398	ODBOCJBHBKFLDC-MRXNPFEDSA-N	424.472	5.708	30	20	HKED	
C=CC[C@@]1(C(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)CCCN1C(=O)OC(C)(C)C	790835582	JTRGNSLHPYZZJE-HJPURHCSSA-N	416.566	5.016	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2nc(-c3ccccc3)oc2c1	796632227	MBMFNHZPLLBUFM-GOSISDBHSA-N	415.836	5.109	30	20	HKED	
COc1cc2c(cc1F)C/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O	798371113	HOACHSCSZBAIHH-CXUHLZMHSA-N	422.481	5.106	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2ccc(F)c(Br)c2)c(-c2ccccc2)n1	810248238	QVPDLBBWKZQMLO-NTMALXAHSA-N	424.273	5.261	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2csc(C(C)C)n2)cs1	812243980	XKWJYUJDNTYNDH-RMKNXTFCSA-N	415.515	5.443	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2csc(C(C)C)n2)cs1	812243981	XKWJYUJDNTYNDH-TWGQIWQCSA-N	415.515	5.443	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)cc1	915353482	NTHOETNMDGMCEY-RPBOFIJWSA-N	411.505	5.623	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1	916626555	RTQGXJMCYFUZKK-JOCHJYFZSA-N	408.461	5.319	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917043314	JUEBILXZPFODOT-SWLSCSKDSA-N	420.481	5.813	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1ccccc1OCC#N	920028648	JAXAUPMZQOKOSG-UHFFFAOYSA-N	406.413	5.090	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2)cc1	920101531	CSOXSBAUGUYJKS-NRFANRHFSA-N	412.420	5.613	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl	920143528	XIAWIHSJTUKPFL-GOSISDBHSA-N	405.910	5.453	30	20	HKED	
CC(C)(C)c1ncc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)s1	920364664	HQZMBDJWWOOTKC-UHFFFAOYSA-N	412.371	5.177	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1	1791244025	JMHBQNSWSCOXQJ-QFBILLFUSA-N	404.501	5.158	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1819304399	ATZKFNJXSLYOOP-CTNGQTDRSA-N	412.578	5.141	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830249350	DGNGHKQFLQVDDC-QFIPXVFZSA-N	402.623	5.345	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(O)c2)c1	10830985	ARDXISNVZVRALZ-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1ccccc1OC	26193305	LLOJFNVNPDHIRA-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncc(-c3ccccc3)n2C)c1	26531078	OALZASKQYYZUCO-IBGZPJMESA-N	418.566	5.131	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccco2)cc1OC	27545102	HQAJNAZNTDETPB-WYMLVPIESA-N	403.478	5.095	30	20	HKED	
C=CCN(C(=O)c1oc2ccccc2c1CSc1nnc(C)s1)c1ccccc1	60299853	FNXKAZJRZHKLAZ-UHFFFAOYSA-N	421.547	5.718	30	20	HKED	
CCCCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccc(OC)cc1	60696460	CRHDOKGTGBKDCZ-NRFANRHFSA-N	406.555	5.289	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2c1	64714820	IVJOVKHCOKOJGH-MRXNPFEDSA-N	419.456	5.743	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)nc2)o1	65750814	PUMDIIJQJZZHKD-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	115071070	KPCBGWACCBYCIT-UHFFFAOYSA-N	422.893	5.402	30	20	HKED	
Cc1ccc(NC(=O)CNc2ccccc2S[C@H](C)CC#N)c(Br)c1	303330326	JMWORQIMORBPEX-CQSZACIVSA-N	418.360	5.202	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(OCc2ccccc2)cc1	303828074	AZGYTTMJHZCHAR-SSPYTLHUSA-N	418.443	5.028	30	20	HKED	
COc1ccc(N/C(N)=N/Cc2ccc(-c3nc4ccccc4s3)o2)cc1Cl	303893662	OIGVXFNLBKIDCD-UHFFFAOYSA-N	412.902	5.145	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1	409799736	XPIWZCLDOSZGGY-WEFJBSGNSA-N	413.477	5.513	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)c1-c1ccccc1	429036286	RWBRFQJHJINEGR-SZMVWBNQSA-N	417.538	5.076	30	20	HKED	
COc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1	430600080	WYTCCTFQJJBOJS-IBGZPJMESA-N	418.518	5.170	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H](C#N)c1ccccc1Cl	430806343	IARQPOBIZDHRFO-OAHLLOKOSA-N	420.683	5.605	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1ccccc1	431131308	AMEVMLAYGYSQIJ-JXFKEZNVSA-N	415.306	5.339	30	20	HKED	
Cc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(-c2nc(C3CC3)no2)c1	432989302	PQNDBQRWTDCEHC-FQEVSTJZSA-N	415.497	5.479	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1cc(C#N)oc1C	435461078	ASQWNJVWAWRRJH-UHFFFAOYSA-N	416.456	5.757	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C)c1ccccc1	435733437	VOPXBACLZQRIMI-JOCHJYFZSA-N	408.542	5.072	30	20	HKED	
N#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c(Cl)c1	439438943	NAHGINFAUWDHAQ-INIZCTEOSA-N	417.656	5.757	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](CCC#N)c4ccccc4)cc3)o2)c1	439655075	NBPBRMAZDJAIQU-QHCPKHFHSA-N	422.488	5.487	30	20	HKED	
CCCc1c(NC(=O)N(CC)[C@H](C)Cc2ccsc2)cnn1-c1cccc(C#N)c1	439682289	CXKPLGQELFXTHD-QGZVFWFLSA-N	421.570	5.243	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]	440690364	HXEOGEZWFCOKFS-UHFFFAOYSA-N	419.462	5.269	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c2)c1	442669622	HLFGEWIHPDLWPE-HXUWFJFHSA-N	412.514	6.227	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc(C(F)(F)F)c1F	443517114	AQDCCPIGHGAPAP-CYBMUJFWSA-N	405.376	5.162	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	460946902	DHWVBPLWXIDQQN-IPELMVKDSA-N	420.479	5.312	30	20	HKED	
Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	462879271	XACDMCLBCVLBES-UHFFFAOYSA-N	419.912	5.749	30	20	HKED	
C[C@H](c1cccc(C#N)c1)c1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1	463053366	KYDARAMOZPTTTM-QGZVFWFLSA-N	424.460	5.067	30	20	HKED	
N#Cc1nnc2ccccc2c1Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	463492609	IXAUJAAKUWAQOF-UHFFFAOYSA-N	417.831	5.290	30	20	HKED	
CSc1cccc([C@@H](NC(=O)Cc2ccc(C#N)cc2)c2cc(F)ccc2F)c1	464124137	XLFHSLRFQMTYQB-HSZRJFAPSA-N	408.473	5.007	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccc(C#N)c(Cl)c1	464200369	VATONIOWRVKATB-UHFFFAOYSA-N	419.790	5.552	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@@H](C#N)C(C)(C)C)c2c1C	464708287	GQAGSHRCDVGRJZ-INIZCTEOSA-N	410.568	5.127	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	467068602	LMSPLDVQAUHPPF-HXUWFJFHSA-N	415.905	6.016	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1	469521923	KVNQPUNFCSZWKB-QGZVFWFLSA-N	407.461	5.194	30	20	HKED	
CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1F	473741076	JHMSQPGUVSBDIY-OAHLLOKOSA-N	414.502	5.078	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C	475547316	GWNHONOHHCCEMA-DEOSSOPVSA-N	416.569	5.915	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1	475801610	QDJYIPDBRLXJEF-INIZCTEOSA-N	413.449	5.438	30	20	HKED	
Cc1cc(Br)cc(C)c1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1	476402248	BFDXTZSCVVENPO-UHFFFAOYSA-N	400.320	5.189	30	20	HKED	
Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	480734457	IIFUWOKCYLVNPE-UHFFFAOYSA-N	412.474	5.320	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CC1CCC1)c1ccccc1	481272826	WZSBDLXVCOMHBV-GCJKJVERSA-N	407.583	5.398	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)c2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1	481338253	LZHVOINOXJRLFC-CQSZACIVSA-N	404.461	5.788	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482440881	SYEDXQQRWBPJNC-OAHLLOKOSA-N	408.317	5.290	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(F)c3ccccc23)c1C#N	483131495	QWWPMVHHQWVRRD-UHFFFAOYSA-N	402.454	5.010	30	20	HKED	
Cc1cccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c1NC(=O)c1ccccc1F	483205257	SEGUFANQKKUXGF-NRFANRHFSA-N	423.447	5.425	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483220908	PZRUPAUALDASMN-INIZCTEOSA-N	422.271	5.995	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1ccccc1	487801360	MKPIZWWMUGHDML-LJQANCHMSA-N	420.944	5.623	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	489930505	WXZXESXUHSJOJB-UHFFFAOYSA-N	406.526	5.254	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)nc12	497933791	MEVZGPIMZGJYLE-CQSZACIVSA-N	410.355	5.035	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1	502447147	RIVNZEIBALGMIJ-UHFFFAOYSA-N	414.465	5.265	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	505322201	DHCMKUXVELSVER-UHFFFAOYSA-N	423.476	5.442	30	20	HKED	
N#CCCn1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)c(-c2ccccc2)n1	506671089	WQXOVCURWORLRI-UHFFFAOYSA-N	409.537	5.325	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2ccsc2)CC1	508924909	ZIYHAISDWCCCQA-INIZCTEOSA-N	412.534	5.189	30	20	HKED	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccc(C(F)F)c1	509364751	MZXXXPMFTXNOFZ-UHFFFAOYSA-N	413.264	5.679	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3)n2[C@H](C)c2ccccc2)cc1	510233466	LKBTUPCBSYFZJT-HYBUGGRVSA-N	424.573	6.090	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SC(C)C)cc3)n2)cc1	512498307	HLFIIAIPOFFNNT-LJQANCHMSA-N	408.548	5.809	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ncsc1Br	512688840	MAJJFNHQXOQOGA-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(-c2ccncc2)cs1	512964065	LQVPLCJOMHBMTM-AWEZNQCLSA-N	422.922	5.472	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nc2ccccc2[nH]1	513653604	GIFKFMLCZLVFJI-CQSZACIVSA-N	422.307	5.544	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	513995265	VGDQVOQMPRULQO-UHFFFAOYSA-N	417.484	5.719	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1nc(-c2ccncc2)cs1	516331126	FOXZFUMPELHBEG-INIZCTEOSA-N	421.934	6.077	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCn2cnc3ccccc32)cc1Cl	517824598	UURDXKHBCNPWNH-HXUWFJFHSA-N	414.896	5.374	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cc2ccccc12)c1nc2ccccc2s1	520751152	ZKQSPDDESXYQNK-MRXNPFEDSA-N	407.292	5.702	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccccc1Br	520832700	PADVCVGYWCBTCJ-KGLIPLIRSA-N	418.360	5.140	30	20	HKED	
N#Cc1c(SCc2ncc(-c3cccs3)o2)nc2c(c1-c1ccco1)CCC2	520969804	WKCWEOGHKPKIPG-UHFFFAOYSA-N	405.504	5.711	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCCCCCN2CCCCC2)cc1	524258369	QXTYHEWANNNUIA-UHFFFAOYSA-N	406.530	5.128	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)c1ccncc1OC)c1ccc(C(F)(F)F)cc1	525840364	JMPMPBLPNVTGBJ-KDOFPFPSSA-N	407.436	5.177	30	20	HKED	
COc1cc(F)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1OC	531537556	LBQMKUGSYXCIDD-UHFFFAOYSA-N	406.413	5.068	30	20	HKED	
C=CCCO[C@H](C)c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	533743480	WHJIEEAXEBVIPF-OAHLLOKOSA-N	404.495	5.576	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(OCc2ccccc2OC)CC1)c1ccccc1	536728764	VYMIXHVKXSBOGU-HSZRJFAPSA-N	408.542	5.093	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1[C@@H](C)C1CC1	539624421	QUUZBYFUYCMXAT-ZDUSSCGKSA-N	422.476	5.439	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)C[C@H](C)c1nccs1)c1ccc(C(F)(F)F)cc1	541480948	IRUHBDCNWKZTTB-WMLDXEAASA-N	411.493	5.614	30	20	HKED	
Cc1ccncc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543051261	AKRUWKRFIOCAAR-CQSZACIVSA-N	416.287	5.821	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3csc(-c4ccccn4)n3)cc2)cc1	543130596	RYBNZLWIBCUMQQ-UHFFFAOYSA-N	412.474	5.316	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1	552265762	LLXDPFJUUGLOFA-SFHVURJKSA-N	400.444	5.526	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc3ccccc3s2)cc1	552878686	JERVEKIUBJLTDK-UHFFFAOYSA-N	414.555	5.995	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2nc(C)cs2)cc1	554173436	OIXGXKKKCHLFAQ-UHFFFAOYSA-N	409.559	5.506	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3Cc4cccc(Cl)c4C3)cc2F)c1	554431957	YLJIDWRVTZXDMU-UHFFFAOYSA-N	421.859	5.477	30	20	HKED	
Cn1c(C2CC2)nc2cc(CNC(=O)c3ccccc3Oc3ccccc3C#N)ccc21	555555185	DIBQIELHZOWTNC-UHFFFAOYSA-N	422.488	5.045	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)n1	573075671	HYDZWZHWORYLSB-WBVHZDCISA-N	407.436	5.019	30	20	HKED	
N#Cc1ccc(CNCc2cccc(COCc3ccco3)c2)c(C(F)(F)F)c1	573767111	NMZZUOLFMFZSOX-UHFFFAOYSA-N	400.400	5.177	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)CC1	576852192	BMYWEIUHWRPUGT-UHFFFAOYSA-N	422.287	6.082	30	20	HKED	
C[C@H](Sc1cccc(F)c1C#N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	580150623	QOTPROABSDQJIP-QMMMGPOBSA-N	403.693	5.777	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc(Cl)cc4cccnc34)cc2)ccn1	582402532	JNSRYOKHABFNNW-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CCN(C(=O)c1nc2ccccc2cc1Br)[C@@H](C)c1ccc(C#N)cc1	583956881	ZSRGTAZSNLWJGD-AWEZNQCLSA-N	408.299	5.092	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1[C@@H]1CCCO1	584021697	FZDGSOKUFADJII-HJNYFJLDSA-N	423.944	5.417	30	20	HKED	
C=CCn1c(SCCCOc2ccc3ccccc3c2)nnc1-c1ccncc1	589849711	GAXNEQNDDHGPRU-UHFFFAOYSA-N	402.523	5.241	30	20	HKED	
CC(C)(C)CCOc1cnccc1CNC(=O)c1c(Cl)cc(C#N)cc1Cl	589939756	ZBUIRZOVYKYKIX-UHFFFAOYSA-N	406.313	5.005	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@](C)(C#N)C(C)C)c3cnn(C(C)C)c3n2)c(C)s1	590766525	ZDRJJKASTOKVCP-JOCHJYFZSA-N	409.559	5.026	30	20	HKED	
O=C(N[C@H]1CCc2ccc(F)cc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	592494604	MIBJCGTZQYQHKH-MDHDOXDCSA-N	412.349	5.022	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)CCc3cccc(Br)c3)n2)cc1	602742188	OHKBZYOODZNVDQ-UHFFFAOYSA-N	412.312	5.016	30	20	HKED	
C[C@@H](SCc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	603819831	BZEHJLJPZUBHIL-LLVKDONJSA-N	421.385	5.131	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604003480	BVPAILNLXNCWLM-UHFFFAOYSA-N	409.489	5.234	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)cn2)cc1	604086896	PVRRWIVLOTYGHX-OAQYLSRUSA-N	402.429	5.254	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	608553042	MGWJQOVPNGYIQU-OAHLLOKOSA-N	410.861	5.073	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	609177439	UHMYHKSSGDNTLM-QMHKHESXSA-N	411.461	5.197	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCO[C@H](c4ccccc4)C3)cc2)c1	609433803	KKEKXTPVKBJIMN-DEOSSOPVSA-N	413.477	5.346	30	20	HKED	
COC(=O)c1cccc(-c2nc(CSc3nc4c(cc3C#N)CCCC4)cs2)c1	610217529	VXCZAVYWDQWUTN-UHFFFAOYSA-N	421.547	5.034	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)oc1C	610591543	OHHZDLIARILEAI-FGZHOGPDSA-N	400.482	5.262	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)c1	611802990	FMDNHUSYMKQVDB-GOSISDBHSA-N	417.896	5.104	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccccc4)s3)n2)cc1	613319156	SALRYSIQQFJCMF-QGZVFWFLSA-N	401.516	5.732	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cc1	614999913	KWAQRIXCOPOHFU-UHFFFAOYSA-N	419.550	5.031	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12	642280822	CCSJFRGBWAJELB-MRXNPFEDSA-N	410.458	5.298	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	675156477	LCBGXGZQZPHYMO-XMMPIXPASA-N	423.601	5.470	30	20	HKED	
O=C(CCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	680968696	ALRLABLJHXESEG-STQMWFEESA-N	421.303	5.227	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2o1	682400061	DZBQGOBAJGQBFL-INIZCTEOSA-N	405.251	5.542	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1	728480653	IAARDTHLGQLJAP-UHFFFAOYSA-N	414.534	5.389	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc2nc(C(F)F)[nH]c2c1	730162860	PEKOIXZYIYAQCU-UHFFFAOYSA-N	420.872	5.339	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1cccc(C(F)(F)F)c1	731646123	XXWVHZBRFVBTCV-QGZVFWFLSA-N	422.497	5.569	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)n1	732093625	JWEPYCYDJOARMX-UHFFFAOYSA-N	411.527	5.443	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2cccs2)c1	733773080	OCIUGOZYUXSFFB-GOSISDBHSA-N	422.575	5.651	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(SC(F)F)cc1	734980939	NAAGHWANZKOSEN-RMKNXTFCSA-N	418.446	5.929	30	20	HKED	
N#CCOc1ccc(Cl)cc1Cn1c(COc2ccccc2)nc2ccccc21	735304444	KZCLDNWPPZKXKO-UHFFFAOYSA-N	403.869	5.219	30	20	HKED	
COc1ccc2[nH]cc(C3=CCN(Cc4cc(Cl)ccc4OCC#N)CC3)c2c1	735308258	GIKUFWHLNHAPGK-UHFFFAOYSA-N	407.901	5.022	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(-c2ccc(C#N)s2)c1	740011628	PFIBZPJHLLOPRA-UHFFFAOYSA-N	412.562	5.438	30	20	HKED	
COc1ccc(OC)c(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	743038077	VSZSRSUVDRRKOS-UHFFFAOYSA-N	423.469	5.316	30	20	HKED	
Cc1nn(C)c(Cl)c1/C=C/C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743056286	UOGCDPZGMWGSFZ-FNORWQNLSA-N	409.704	5.079	30	20	HKED	
CC(C)Oc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1Cl	743465896	RHGNZFWURFOKAL-HNNXBMFYSA-N	403.885	5.014	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C	745427205	GDXWIDBNQWQTGY-UHFFFAOYSA-N	415.493	5.331	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(C(C)C)n(Cc2ccco2)c1=S	746055688	AYYGBKAEHSKGIQ-UHFFFAOYSA-N	423.586	5.166	30	20	HKED	
COc1cc(C(C)=NNc2ncnc3c2oc2ccccc23)ccc1SC(F)F	746489316	UNMMHHLLHCOUBR-UHFFFAOYSA-N	414.437	5.535	30	20	HKED	
O=C(O)CCOc1cccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	746684239	LZHUQIFWBOMJHJ-HJWRWDBZSA-N	423.446	5.073	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)s1	749317152	FSXXSDKWTOPBGN-UHFFFAOYSA-N	413.842	5.013	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1	750677812	ISYJHOAFNQNPQM-WFASDCNBSA-N	406.898	5.122	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1F	752478188	ZTFFXHOSMLAYPA-IINYFYTJSA-N	411.235	5.113	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1c[nH]c2cc(Br)ccc12	753145147	WDXWYKBINGITCT-ALCCZGGFSA-N	410.296	5.345	30	20	HKED	
CN(C)c1nc(C=NOc2ccccc2C(F)(F)F)c(Cl)n1-c1ccccc1	754712314	LMPMYUYOSLGUQE-UHFFFAOYSA-N	408.811	5.023	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C)cc2O)cs1	757474972	FAPQDIOEGVICCW-POHAHGRESA-N	412.898	5.391	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC34C[C@H]5C[C@@H](CC(F)(C5)C3)C4)n2)cc1	759457840	BMFBJHUXQVGWFT-QFWNCKJBSA-N	419.525	5.557	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2n1	760181747	AKBZXBGYRRYGMQ-OAQYLSRUSA-N	421.456	5.297	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	760386464	SBWYYUQHTHNSNI-JOCHJYFZSA-N	415.880	5.079	30	20	HKED	
CN(C(=O)Cc1cccc(OCC#N)c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	760530249	ZLQIBVGTMHPMHN-DEOSSOPVSA-N	422.887	5.172	30	20	HKED	
C[C@H](OC1CCCCCC1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	761109894	MKOVEGOSYGJRLJ-ZFWWWQNUSA-N	404.482	5.392	30	20	HKED	
C[C@H](Sc1ccccn1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	762067004	FIEOPWYFQUIHHT-CMPLNLGQSA-N	407.442	5.067	30	20	HKED	
C=CCn1c(-c2ccc(C)cc2)nn(CNC2(c3nccs3)CCCC2)c1=S	764124180	RLJVIXXWAOBLHY-UHFFFAOYSA-N	411.600	5.049	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCCC(Cl)(Cl)Cl	767120999	NATILKRMPNESSB-UHFFFAOYSA-N	406.766	5.204	30	20	HKED	
CC(C)(C)Oc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1	767849205	XOXIANUAHKNECY-JOCHJYFZSA-N	414.509	5.236	30	20	HKED	
C[C@H](N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc(OCC#N)cc1	768267425	VZGXXVVIMWULMT-YWZLYKJASA-N	407.514	5.580	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1	769222444	MCDZKQKWNWTLIC-TZIWHRDSSA-N	417.459	5.642	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)OC[C@H](C#N)Cc3cccs3)c2c1	772743497	UBGVUHJMHMVEMF-KRWDZBQOSA-N	413.502	5.206	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2c1	775485855	VRBOXJBAKADKSP-CYBMUJFWSA-N	411.914	5.543	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1	778982864	FBNVEQYYEQTBCN-QGZVFWFLSA-N	405.329	5.003	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	784618384	WMZQBTHZYMCLTI-DEOSSOPVSA-N	406.482	5.098	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nccc2ccccc12	792093441	IRJBVYSYBOKKBZ-FZKQIMNGSA-N	411.324	5.354	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)C[C@H](CC#N)c1ccccc1	795986201	PCEAGQYCGLNKAC-FQEVSTJZSA-N	407.901	5.024	30	20	HKED	
N#CC1(CCCNc2cc3c(cc2Sc2ccccc2)OCCO3)CCOCC1	798388737	XAYGKESELPZMKS-UHFFFAOYSA-N	410.539	5.121	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(F)c3ccccc23)c1	806806606	DRGLYSBLURNWQA-AEFFLSMTSA-N	405.473	5.220	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1OC	810280171	AXQIUIXMIJOTPJ-OAQYLSRUSA-N	402.454	5.027	30	20	HKED	
C#C[C@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1	812352945	YQVGRWZLCRVIJM-IBGZPJMESA-N	412.917	5.110	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccc(F)c(Br)c1	813057842	RTZYRCNWBBRTKA-DGCLKSJQSA-N	417.303	5.568	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](O)c1ccc(Cl)cc1F	813422393	AALYAFHTCHHXIY-OAQYLSRUSA-N	410.832	5.124	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccccc1	814313926	QUOJQEJBJXEVRY-PGRDOPGGSA-N	407.514	5.101	30	20	HKED	
CN(C)c1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1	815910934	LNJDUFVRCDZHEY-LJQANCHMSA-N	421.953	5.438	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCC#N)c2)cc1C	916410928	IGMZAAXHHBIZEM-UHFFFAOYSA-N	422.488	5.311	30	20	HKED	
Cc1ccc2c(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)coc2c1	916910203	RQWBXOOJUVYNDZ-OAQYLSRUSA-N	424.456	5.424	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)c1	917042025	AFRRFDVKEUMXTH-KRWDZBQOSA-N	423.463	5.586	30	20	HKED	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc(C)c1OC(F)F	917644481	FVVYYCVECLUVOJ-SXGWCWSVSA-N	416.474	5.182	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12	920105741	DTDVMMRVXYYMOU-HXUWFJFHSA-N	406.441	5.510	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C4SCCCS4)cc3)c2C#N)C1	921191151	STTNUDBOEXSIKZ-CYBMUJFWSA-N	414.621	5.866	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3CCSCC3)CCC2)cc1	1789627702	CWPZIQXAGUYGJX-UHFFFAOYSA-N	414.615	5.256	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1	1824243984	YRCFQIUFUDBZBB-TUSQITKMSA-N	424.629	5.258	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccccc2)CC1	1828829534	IXDLTJPUVSLLIH-FTBPSBKWSA-N	422.613	5.178	30	20	HKED	
CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1	1830017467	XAHIFTXNSZCGPV-GBXCKJPGSA-N	423.601	5.008	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1cccc(C#N)c1	4925643	ZCCLGOUNEHESOP-OAHLLOKOSA-N	421.526	5.034	30	20	HKED	
CC(C)c1ccccc1-n1c(SC[C@H](C#N)CCC#N)nc2ccccc2c1=O	7198652	MMIQOHXAADRNTD-KRWDZBQOSA-N	402.523	5.045	30	20	HKED	
N#Cc1ccsc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	28243876	WCLPZXFLMBXGCA-UHFFFAOYSA-N	418.909	5.307	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	55257803	USGNMYXTUONOEV-UHFFFAOYSA-N	413.477	5.047	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1	56637534	FTZFZJUISLMRRZ-UHFFFAOYSA-N	409.505	5.062	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	65680363	GVYQPEOTWCPUDY-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1	108661924	WFKVQWXXQGVEDQ-INIZCTEOSA-N	417.534	5.486	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCN(c2ccccc2)CC1	195710569	IIBAFIMMPIONDW-UHFFFAOYSA-N	413.546	5.062	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(-c2cccnc2)cc1	237454007	XTNAWTKCVRAMGE-OAQYLSRUSA-N	419.528	6.050	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1	248244043	KRGQOPISOSLFSK-QFIPXVFZSA-N	423.582	5.123	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1	303603910	ATMPNQZENJRMSO-UXHICEINSA-N	418.443	5.352	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	303675674	ZUAILQFIPGRWAG-VWLOTQADSA-N	412.489	5.123	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N(CCC#N)Cc1ccco1	426057339	IDCNLGFUAPFEIY-IBGZPJMESA-N	403.482	5.676	30	20	HKED	
COc1cc(Br)cc(C)c1NC(=O)N[C@H](CCCC#N)c1ccccc1	431694418	WNYQYDKEIHQWEP-QGZVFWFLSA-N	416.319	5.323	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F	431830279	AAYLEJYUXABEIX-MGPUTAFESA-N	415.509	6.118	30	20	HKED	
Cc1cccc(COc2cccc(NCc3cn(CCC#N)nc3-c3ccncc3)c2)c1	433311883	JCSJOKDQYYIOKJ-UHFFFAOYSA-N	423.520	5.358	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433635175	KCMFKXXUDIRRNH-OAHLLOKOSA-N	406.832	5.384	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCCO)Cc1cccc(Cl)c1	434221544	AEEAHCSZHIZYMA-INIZCTEOSA-N	417.962	5.151	30	20	HKED	
COc1ccc(C#N)cc1CN[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1	434888657	RUWUFEUNYLLABQ-HSZRJFAPSA-N	410.489	5.446	30	20	HKED	
C[C@@H](S[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(C#N)cc1	437276133	MWNYRTKORDYUJC-AUUYWEPGSA-N	402.466	5.149	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1	438780652	RTFTWBDNDLKJAR-CQSZACIVSA-N	412.415	5.353	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(OC(F)(F)F)c1	441117052	CYIIMGLPCGIGOX-KGLIPLIRSA-N	423.460	5.720	30	20	HKED	
Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	443145206	IGJKSGGCGPCJID-UHFFFAOYSA-N	406.511	5.387	30	20	HKED	
CC(C)(OCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)C(F)(F)F	448350549	IJCIAESDZJLFEF-UHFFFAOYSA-N	410.823	5.102	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2)n1C	448418045	TZCQRIAFBJHWKW-UHFFFAOYSA-N	424.464	5.099	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1	460338209	IBUDISDRBWQOHU-KRWDZBQOSA-N	415.880	5.084	30	20	HKED	
CCC1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCOCC1	466609943	VYBCEVGBZXGNMP-HXUWFJFHSA-N	411.933	5.324	30	20	HKED	
CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	467039949	FJWWMZYPMZGPRQ-IRLDBZIGSA-N	423.582	5.470	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1Br	467936428	AUDHUTQGYHFHAB-UHFFFAOYSA-N	404.283	5.150	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cccnc1	468635558	QQCZWQNJVPUAGP-MRXNPFEDSA-N	418.526	5.046	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)on2)c1	468758277	AGGOBPATRJVBHN-UHFFFAOYSA-N	401.372	5.411	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	471594905	RIVDKDWRMXCYPX-HXUWFJFHSA-N	407.905	5.074	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1SCc1ccc(C#N)cc1	473396438	QXKPCLHMPLOBPO-KBXCAEBGSA-N	404.457	5.263	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(CSCc2ccccc2)c1	473824167	OAMHVPNVIVRZRW-UHFFFAOYSA-N	416.550	5.463	30	20	HKED	
COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)C(F)(F)F)cc1	482289378	VQFKBGDPBUTIQH-FQEVSTJZSA-N	419.447	5.038	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	482825081	HVFKMBUXMJFOBG-UHFFFAOYSA-N	416.974	5.862	30	20	HKED	
Cc1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)c(Sc2ccccc2)n1	486032789	BSIOLIARHBQJLZ-UHFFFAOYSA-N	412.565	5.174	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C	487019028	CQTCWMGZWWHQCM-UHFFFAOYSA-N	415.541	5.557	30	20	HKED	
O=C(CCCCC(=O)c1ccc(F)cc1)Nc1cccc(C#Cc2ccccn2)c1	494897077	XQGPTJSNRPSGQL-UHFFFAOYSA-N	400.453	5.002	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccc(F)c(Cl)c1	497671435	NNPXMDWKJRPDLS-OAHLLOKOSA-N	408.974	5.138	30	20	HKED	
CC(C)Cn1ncc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cnc21	498361005	UUZRXOQQKBZFTJ-UHFFFAOYSA-N	411.465	5.004	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1cc(C#N)ccn1	498995203	LWQJOMTVGBTHRQ-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CNc2cc(C#N)ccc2OC(C)C)cs1	500999872	NGDBHZUWYYPYHT-UHFFFAOYSA-N	424.501	5.238	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F	501089351	QCTWJAUUFCJCGO-HZPDHXFCSA-N	424.463	5.071	30	20	HKED	
O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(COCC(F)(F)C(F)F)c1	502121817	KURWRFXJQDGHTC-UHFFFAOYSA-N	423.328	5.304	30	20	HKED	
N#C[C@@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccc(Cl)cc1	505821465	ONQMTWVOAUHUIG-LJQANCHMSA-N	411.889	5.161	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)ccc1OC1CCCC1	505948951	QTRDUNXGTCKSCH-GOSISDBHSA-N	418.415	5.030	30	20	HKED	
Fc1cccc(F)c1-c1nc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)co1	506294039	VPIOXVSEYIJVLV-INIZCTEOSA-N	404.285	5.291	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2c(F)cc(F)cc2-c2ccccc2)c(OC)c1	510757888	DFUGNPVWJHKDJP-UHFFFAOYSA-N	409.432	5.386	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	511372868	UIZDQUKETPWLHE-LPHOPBHVSA-N	404.963	5.267	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C(C)C	511502841	GGSLQEBIWJEODX-UHFFFAOYSA-N	401.466	5.565	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccc(F)cc1	511727399	BFCIJIAVLVFGSB-GFCCVEGCSA-N	413.688	5.995	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@@H](C)c2ccc(C#N)cc2F)on1	512287533	IJMDGUFHRZVFFC-HNNXBMFYSA-N	401.441	5.365	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	516269856	AVFCUPYTMSKRKR-FQEVSTJZSA-N	401.491	5.351	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2cscn2)c1	517456414	LZQBRJYDJJKBLE-HNNXBMFYSA-N	409.536	5.226	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1OC(F)F	518165515	HKVZDJRGLRSYME-ZBFHGGJFSA-N	419.497	5.813	30	20	HKED	
CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](C)c1ccccc1OC	518906409	DHBAQEARRYYSAC-SFHVURJKSA-N	415.493	5.368	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1	520938319	TYUVJIZEGBUMBU-UONOGXRCSA-N	405.470	5.565	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1c(F)cccc1Cl	521731377	VHUFGNRUHYLSHN-CYBMUJFWSA-N	408.951	5.603	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	523423011	GHXOCAOEWCDQEV-DEOSSOPVSA-N	414.509	5.342	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCc2ccc(O)cc2)cc1Cl	524035684	AUABMPHWIJHFJC-QFIPXVFZSA-N	419.912	5.455	30	20	HKED	
CCCCCn1c(SCc2nnc(-c3cccc(C#N)c3)o2)nc2ccccc21	525625205	DJKSQZDOJQHQPR-UHFFFAOYSA-N	403.511	5.440	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ncc(-c4ccc(F)cc4)o3)o2)cc1	532271357	YIOAPRCTUIBMKQ-UHFFFAOYSA-N	409.442	5.388	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccc(C(F)(F)F)cc1	532738030	DUTAMNYMIVSLHZ-GOSISDBHSA-N	420.406	5.167	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1csc([C@@H]2CCCO2)n1	535123363	GRXNMSTVEPCJKY-FQEVSTJZSA-N	405.479	5.219	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3ccccc3Oc3ccccc3C#N)c2)n1	539771804	HJFNSNIBHSHYQO-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
N#CCC1CCN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1	541050405	OOBKPETZWVGGOQ-FQEVSTJZSA-N	402.922	5.465	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1	541768527	KMTLFQBRPJDFIR-ZDUSSCGKSA-N	411.914	5.302	30	20	HKED	
C=CCn1c(SCc2sc(C)nc2C(F)(F)F)nnc1-c1ccccc1F	541836260	SXROHEWBCVZEQB-UHFFFAOYSA-N	414.453	5.346	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1NC(=O)c1ccco1	550217370	ZZLQRRGEGLLUDM-UHFFFAOYSA-N	416.481	5.155	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1	551592357	FFBVLJNPIUFJSQ-IAGOWNOFSA-N	412.534	5.010	30	20	HKED	
Cn1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C1CCC1	559648591	BZZBKLLLBDZZIQ-UHFFFAOYSA-N	407.461	5.569	30	20	HKED	
Cc1onc(-c2cccnc2)c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	560623401	YLEPGRFGRKKKHN-MRXNPFEDSA-N	408.461	5.075	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1	561127716	WODPTRMLKQSPBZ-UTKZUKDTSA-N	402.416	5.240	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccccc3CC#N)c3c(C)noc3n2)c(C)s1	567393225	YQAIZRQZWXCTMM-UHFFFAOYSA-N	402.479	5.195	30	20	HKED	
C[C@]1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)OCCc2sccc21	570731815	UIKNXYWAIOMFKL-HSZRJFAPSA-N	419.506	5.022	30	20	HKED	
CCN(CC)C(=O)c1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1	573511174	BJOKFJWCDCFLHM-UHFFFAOYSA-N	413.521	5.231	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	603689343	ICDZLFVZHNGZRX-QGZVFWFLSA-N	416.481	5.415	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1	605941162	QZABLJJPUYTVKT-UHFFFAOYSA-N	405.498	5.135	30	20	HKED	
C[C@@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	607805325	WDFUGBOTSUAMEP-MXWKQRLJSA-N	421.303	5.398	30	20	HKED	
CCn1nc(C(C)C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609062979	NTDZMZZGAFPQFT-UHFFFAOYSA-N	422.916	5.383	30	20	HKED	
CC(C)CCN1Cc2cccc(N[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c2C1	609076212	PHBYRCFDSKTZEY-MRXNPFEDSA-N	410.949	5.012	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1	609316510	NBPHADDKAOKQNQ-QFIPXVFZSA-N	402.425	5.173	30	20	HKED	
N#C[C@@H](NC(=O)CCOc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	609462422	HEXUHNONZYQWNC-OAHLLOKOSA-N	417.214	5.162	30	20	HKED	
Cc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCOCC2)cc1	609502163	JLUIMGPGVBBWBD-UHFFFAOYSA-N	412.489	5.346	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccccc1)c1cccc2ccccc12	609507304	BPRMNNYSMXCYRY-HHHXNRCGSA-N	422.484	5.005	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2F)CC1	609556478	NERNDKRJNMRLIO-UHFFFAOYSA-N	421.394	5.228	30	20	HKED	
COc1ccc(N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C(C)C)cc1F	609647827	QTOJYUDBVLOJFM-UHFFFAOYSA-N	418.468	5.340	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1	609732953	UPVYGHCRKKRCAI-FQEVSTJZSA-N	422.271	5.652	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1F	610223516	QPRBFEMYUGLHQT-UHFFFAOYSA-N	419.456	5.122	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(Br)s1	610753743	YAEAAFKIRRKJSY-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
Cc1nnc(SCc2ccc(C#N)cc2Br)n1[C@H]1CCC[C@H](C)C1	611492252	DCIPKLKCBUIXCC-LRDDRELGSA-N	405.365	5.264	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)c1ccccn1	613296582	KUPQSGZNNXKACK-HXUWFJFHSA-N	410.498	5.879	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc2cc(Cl)ccc2s1	613403691	RMJVUZAVKOUSME-LJQANCHMSA-N	418.905	6.019	30	20	HKED	
CC(C)(C#N)c1ccc(CNc2ccc(CCn3cc(Br)cn3)cc2)cc1	614058736	UMJZRJSFPWLSGE-UHFFFAOYSA-N	423.358	5.302	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(-c2csc(C)n2)s1	615631027	VGIMGYRNTYCPNH-UHFFFAOYSA-N	413.568	5.086	30	20	HKED	
Cc1cc(-n2cccn2)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	616105929	KYMMAPIYADJDFF-UHFFFAOYSA-N	408.461	5.291	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c2ccccc21	618188081	DJIDTWZBHWZDSY-FQEVSTJZSA-N	410.521	5.446	30	20	HKED	
COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1OCc1ccc(F)cc1	618741617	HHZCJLQWRNHRNN-HSZRJFAPSA-N	402.469	5.062	30	20	HKED	
Oc1nc(CNc2ccc(F)c(C(F)(F)F)c2)nc2cc(C(F)(F)F)ccc12	620746347	MYSQASSFZSMLSC-UHFFFAOYSA-N	405.273	5.124	30	20	HKED	
C=C[C@@H](CC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1)c1ccccc1	677524204	YIZCDIFEJVORRF-HNNXBMFYSA-N	409.327	5.175	30	20	HKED	
C=C(CNC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1)c1ccccc1	685215342	PHEUMPLKUMQAAQ-UHFFFAOYSA-N	422.594	5.013	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)N(CCC#N)c3ccc(C)cc3)cs2)cc1	726940835	VMBRHDZOZLOARK-UHFFFAOYSA-N	405.523	5.007	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)s1	727988190	XXASYWKIBCVAQK-UHFFFAOYSA-N	421.503	5.476	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	728700722	UXOHZDSCMNAJQK-SHQCLWGWSA-N	404.447	5.510	30	20	HKED	
CC(=NOCc1cccc(C(=O)N(C)C)c1)c1ccc(OCc2ccc(C)cc2)cc1	729675458	HPEVMOWKIRDRIB-UHFFFAOYSA-N	416.521	5.217	30	20	HKED	
O=C(Nc1cccc(C=NNc2ccc(F)cn2)c1)c1ccc(Cl)cc1Cl	731318114	ISWFHUHYZGHWTP-UHFFFAOYSA-N	403.244	5.226	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCc2ccccc2C1)C(=O)Nc1ccccc1Oc1ccccc1	732596322	PSSKLJBTKFHGSW-XXBNENTESA-N	424.500	5.321	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cccc(OCc3ccccc3Cl)c2)c1	733800035	BYGGHVHYRXGCHT-JOCHJYFZSA-N	420.940	5.890	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	733943888	ZMLLLXBRXWGRJN-UHFFFAOYSA-N	413.355	5.047	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc(-c2ccc(F)cc2)s1)C(C)C)c1ccncc1	734684092	SCZUUYXLZFXJHW-QFIPXVFZSA-N	423.557	6.187	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(COc2ccc(Cl)cc2)o1	735230927	LKKBQAZPJWZPFE-UHFFFAOYSA-N	422.293	5.150	30	20	HKED	
CN1C/C(=C/c2cnc(C(C)(C)C)s2)C(=O)/C(=C\c2cnc(C(C)(C)C)s2)C1	736430763	GYLIDYZISDHHAI-SFGFDRCGSA-N	415.628	5.176	30	20	HKED	
CC(=O)Nc1cccc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	749101120	VNBLXPZXKJRVRJ-UHFFFAOYSA-N	416.502	5.166	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)c(F)cc(F)c2F)cc1	752637496	QXNHNKVUZCOGBD-INIZCTEOSA-N	413.374	5.220	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1ccc(-c2ccc(C(=O)O)o2)cc1	753143783	YTEPEWUVLCZGNA-WAYWQWQTSA-N	402.431	5.059	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1ccccc1	753178417	NKJSDACIEXZPNM-SJORKVTESA-N	404.297	5.161	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(Sc3ccccc3)cc2)ccc1S(C)(=O)=O	753900068	HIYJHCRNRVAWLL-UVTDQMKNSA-N	424.543	5.146	30	20	HKED	
Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)Nc2ccccc2O[C@H](C)C#N)c1	759193083	LDMWFLBNRUNSMV-MRXNPFEDSA-N	422.937	6.343	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Nc1ccc(F)cc1OCC#N	761669624	XGIALFGKQPGXNR-OAHLLOKOSA-N	424.501	5.385	30	20	HKED	
Cc1ccc(Br)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	763262112	VWQRJDAXLWDCKV-FQEVSTJZSA-N	405.295	5.665	30	20	HKED	
C#CCOc1ccc([C@@H](C)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1	765716435	CTOPAUVQBVEORT-JOCHJYFZSA-N	421.544	5.461	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC[C@H](Cc2csc3ccccc23)C1	767189487	OOBJUTKFCGGDIQ-QGZVFWFLSA-N	406.576	5.612	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CC1(CSc2ccccc2)CC1	769907053	FYKKGWGPMFIXGL-UHFFFAOYSA-N	401.535	5.084	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1NC(=O)OC(C)(C)C	772545632	GIJGAXCHOSYBJW-HNNXBMFYSA-N	407.495	5.442	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)c1	774165248	UIAOCDBMBZTEFQ-UHFFFAOYSA-N	413.543	5.445	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1	777497815	FLYVXKVSYKAUOF-SFHVURJKSA-N	400.931	5.078	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1	779712543	IGTCXTRNZFQPLB-ZWKOTPCHSA-N	401.466	5.209	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccccc3O[C@@H](C)C#N)oc2c1	780147526	HTSMXYBVMHETDZ-INIZCTEOSA-N	412.445	5.652	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(C#N)c2)cc1	782206792	XBSWALLPYKZBIG-MRXNPFEDSA-N	415.518	5.044	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1)Nc1ccccc1	782307719	ZHJFGVRGYRCGGV-NTUHNPAUSA-N	408.457	5.148	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3ccc(O)cc3C2=O)cs1	794960430	RTCDBTOAVDOYPZ-GZTJUZNOSA-N	404.491	5.054	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=S)Nc1ccccc1Oc1ccccc1	795131990	POAKWUBCBDQXMG-UHFFFAOYSA-N	408.523	5.339	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)on1	797568614	UJNSDMSDUYXJDC-INIZCTEOSA-N	411.552	5.519	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	799604114	CFRUUVWBIZJBKQ-SFHVURJKSA-N	403.507	5.071	30	20	HKED	
C[C@@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1	803067517	VOIOIISWUNQPHJ-CYBMUJFWSA-N	416.355	5.062	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C\C(=O)c1ccnc(O)c1	806555603	GPJIRSYLNIQBQI-WAYWQWQTSA-N	422.699	5.197	30	20	HKED	
C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)cc1	810258640	XUFYUKVRGAALCH-IERDGZPVSA-N	421.541	5.858	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2)ccn1	811708839	JTDFATGSQNOTKL-UHFFFAOYSA-N	415.305	5.861	30	20	HKED	
Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c(C)ccc(C)c54)c23)cc1	914772935	GZTBTFTZVAVMQN-UHFFFAOYSA-N	413.506	5.052	30	20	HKED	
CC[C@H](C)c1ccccc1OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1	915134302	MURCDMGMDNOMGY-INIZCTEOSA-N	419.481	5.142	30	20	HKED	
COc1cc([C@@H](C)/N=C/c2cc3ccccc3nc2O)ccc1OCc1ccncc1	915981857	XQQROIVIDCXIKZ-VSWHYLHOSA-N	413.477	5.103	30	20	HKED	
O=C(/C=C\c1cc(Br)c(O)c(Br)c1)c1cc(F)ccc1F	916134170	FUJHCOVTHLFJJD-RJRFIUFISA-N	418.031	5.092	30	20	HKED	
C[C@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)csc2C1	916943271	UQXOQHHAIOQSKJ-ZUZCIYMTSA-N	407.322	5.141	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc(-c2ccccc2)cs1	917025470	LPHZBXNAYVONTL-FQEVSTJZSA-N	408.482	6.128	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc2ccccc12)c1nc(-c2ccccc2)cs1	917027239	ZMMBGTUVZCPVLZ-NRFANRHFSA-N	412.514	5.999	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(C)c(C)cc2C)cs1	917563663	RIEUOLWEIIBOHH-YFHOEESVSA-N	424.953	6.302	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(Cl)cccc3Cl)n2)cc1	920138346	FFYPFZMBTHXNOO-HNNXBMFYSA-N	417.317	5.544	30	20	HKED	
C[C@H](Cc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	921136494	KHVZOLZPJPKPGF-DOMZBBRYSA-N	400.425	5.282	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1	1818454323	QYRVOELDPRCMGZ-HTAPYJJXSA-N	416.525	5.081	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCC2)CC1	1823750681	DWBYTUWGXCDSKC-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)s2)CC1	1829066215	VLJOHSAQIPVVKT-SFHVURJKSA-N	420.594	5.113	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccccc1	4285819	JNAUCZJZMTZRMF-MSOLQXFVSA-N	420.582	5.764	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c2C2CC2)cc1Cl	41539695	MPIPRFFJJOHFIA-MRXNPFEDSA-N	416.868	5.343	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1	55429616	UFPKRRPLOUPUCK-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	65647095	JRLXQPVLYNUPDU-UHFFFAOYSA-N	413.477	5.128	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1	108865627	SWALXEBRKKLFPI-RUZDIDTESA-N	411.505	5.290	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNc2ccc(C(=O)Nc3cccc(Cl)c3)cn2)c1	301305301	XWYRLWMAGXWXDQ-FQEVSTJZSA-N	420.900	5.280	30	20	HKED	
C[C@H](Nc1nc2cccnc2nc1N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	301612480	FZAJOCWPYGWTKM-DLBZAZTESA-N	419.492	5.114	30	20	HKED	
CCCCCCCC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1	303074622	QPDHRSWTHXIAJI-KRWDZBQOSA-N	418.969	5.652	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1	303090044	CZLNBDSLLNPBQB-NRFANRHFSA-N	405.498	5.546	30	20	HKED	
COc1ccc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)c(OC)c1OC	303186713	ZKYHDDFGJLEFOW-RAXLEYEMSA-N	406.450	5.240	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cccc(SCC#N)c2)n(Cc2ccccc2)n1	429925344	ONCHGAKFIXDUTO-UHFFFAOYSA-N	404.539	5.097	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	431212280	KJDREOVGLMEOHO-UHFFFAOYSA-N	420.538	5.267	30	20	HKED	
Cc1ccc(NC(=O)N(C)C)cc1NCc1cccc(OCc2cccc(C#N)c2)c1	435727320	WBECOTLVBLGEFL-UHFFFAOYSA-N	414.509	5.151	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccccc1S[C@H](C)CC#N	438074825	PNRIEFVIUVHTPP-TZIWHRDSSA-N	409.599	6.264	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	438159507	SRRDRDLCPIWCPH-GMAHTHKFSA-N	413.525	5.435	30	20	HKED	
CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438634404	FASUCWHTVBQQND-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1	439307613	QPHXFUYPUDTLSX-JOCHJYFZSA-N	412.493	5.414	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	441542663	FLZQOBPJZZNFHZ-GOSISDBHSA-N	408.395	5.240	30	20	HKED	
CC(C)n1nc(-c2ccco2)cc1NC(=O)c1occc1COc1cccc(C#N)c1	447857140	BWBCPSVNFGCKHL-UHFFFAOYSA-N	416.437	5.020	30	20	HKED	
C[C@H](CC#N)N(C)c1nnc(-c2cc(Cl)ccc2Cl)n1Cc1cccs1	461474235	KWMCXZHSYBELJL-GFCCVEGCSA-N	406.342	5.100	30	20	HKED	
COc1cccc([C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c1	462140823	NKDVMUDHVYOVGQ-HJPURHCSSA-N	404.897	5.230	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCn2c(cc3ccccc32)C1	463519779	ZMQXIDSXXUFHKR-UHFFFAOYSA-N	422.488	5.661	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1	470917957	LPXGOIHAPCKNTC-UHFFFAOYSA-N	419.594	5.519	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1	471057449	QSUYXBNKYRTPCI-AVRDEDQJSA-N	411.530	5.733	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(Oc2cccc(OC)c2)nc1	471598913	MTDNOJNACTZDQH-UHFFFAOYSA-N	417.509	5.170	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	475555608	QVKCWFNLGUGUBI-URXFXBBRSA-N	406.574	5.090	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(C)[C@@H](c2ccccc2)C(C)C)nnc1-c1ccco1	482168474	HYECQNXKWOOSRS-OAQYLSRUSA-N	424.570	5.062	30	20	HKED	
N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2n1	483206506	XKDLIOIREJZHJJ-ZDUSSCGKSA-N	409.289	5.157	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)c1	488435628	QEYUSFSCIGTFKB-UHFFFAOYSA-N	403.360	5.001	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C)c1ccccc1	488716896	SPXLPQFJSTURLK-LJQANCHMSA-N	409.580	5.995	30	20	HKED	
CCn1c(NC(=O)c2cc(SC)c(Cl)cc2Cl)nc2cc(C#N)ccc21	490822787	DTMWIEXAVBGTCY-UHFFFAOYSA-N	405.310	5.209	30	20	HKED	
COc1ccc(CNCc2ccc(-c3ccccc3)cc2F)cc1OCCCC#N	492400386	SHIYLFFLMYJZPY-UHFFFAOYSA-N	404.485	5.474	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1F	494037070	IKFJDFPNIZEEMN-SFHVURJKSA-N	409.461	5.103	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)N[C@H](C#N)c3ccc(Br)cc3)ccc2c1	499417712	IHRZYTCHKSILAD-LHSJRXKWSA-N	423.310	5.095	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1cc(Cl)cc(Cl)c1	499485954	RSLKLVOFCHHCAL-UHFFFAOYSA-N	401.249	5.314	30	20	HKED	
N#CC1(CCCN[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)CCOCC1	499629327	YZUSZVOBBXDXBN-PZJWPPBQSA-N	408.508	5.812	30	20	HKED	
C[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1	503955468	GJEIOPJUYSNUMA-HXUWFJFHSA-N	420.512	5.209	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1	504156116	NWBYGVVWYDKZFS-UHFFFAOYSA-N	403.507	5.454	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CCC(F)(F)F)cc3)n2)cc1	504589601	MZFKEBFKWYBSQN-SFHVURJKSA-N	414.452	6.104	30	20	HKED	
N#C[C@H](C(=O)c1csc(Cc2cccc(F)c2)n1)c1nc(-c2ccccc2)cs1	505427674	HRKLQZWFLCCJOG-QGZVFWFLSA-N	419.506	5.487	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1	506618235	MFMFTNLDHVMDIH-RUZDIDTESA-N	416.521	5.038	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCO[C@H](c2cccs2)C1	508855012	FTMUJKSRDBMIGY-INIZCTEOSA-N	421.353	5.077	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc3[nH]c(C)cc3c2)cc1OC	513112077	SHJLGDARBUBXLW-UHFFFAOYSA-N	415.331	5.102	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	513143855	PWXPNHLDGNTWGG-HXUWFJFHSA-N	421.378	5.041	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc2ccccc2[nH]1	513672740	USDNWZKJZPKJBA-SFHVURJKSA-N	421.378	5.864	30	20	HKED	
CCn1nc(C(C)C)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	514575985	VAMFYEBLZLKYCR-LJQANCHMSA-N	406.917	5.588	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)oc12	518169913	VGPUYQMXZDODAT-HOTGVXAUSA-N	423.538	5.966	30	20	HKED	
CC[C@H]1CCCC[C@@H]1c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1	518408508	QHFKVNFTBDPXMF-RDJZCZTQSA-N	421.501	5.257	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	519515589	NBEZGGMNEZZXTQ-AWEZNQCLSA-N	411.914	5.570	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1	520342774	LPAARUNRNLZYIP-UHFFFAOYSA-N	415.543	5.566	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)s2)o1	520888015	CLZFCWJXWJBYBP-CYBMUJFWSA-N	406.294	5.321	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCOc2c(Cl)cccc21	521748077	KYAAOSXDMNNSCN-CJNGLKHVSA-N	401.919	5.237	30	20	HKED	
CCOc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1Cl	522090649	QITVXEQQFXMFNG-UHFFFAOYSA-N	413.905	5.122	30	20	HKED	
CC(C)OCc1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	522311581	UUXKYFZHWONAJT-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1	523585357	DSTMFQIKPKZVTP-UHFFFAOYSA-N	413.521	5.924	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(COC(C)(C)C)c1	523639848	FJAZWOFMEVKAQS-UHFFFAOYSA-N	406.979	5.614	30	20	HKED	
C=CCN(C(=O)c1ccc(C)c(Oc2ccncc2)c1)c1nc2c(s1)CCCC2	523708726	UYMADBZOKKZHIU-UHFFFAOYSA-N	405.523	5.350	30	20	HKED	
CCSc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cn1	524328351	FYCKGJUZSSFUKE-UHFFFAOYSA-N	405.479	5.118	30	20	HKED	
CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1	524833528	OFANIYKPWICOMU-UHFFFAOYSA-N	403.869	5.017	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)cc1Cl	533856607	WZXRDKRNYUIGSZ-SFHVURJKSA-N	419.834	5.722	30	20	HKED	
CCc1ccc(C2=CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1	536818419	WJKMIZYFZBLEOG-SFHVURJKSA-N	405.567	5.822	30	20	HKED	
C[C@@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1	537289404	VXAAWEYUVLQPIR-WAIKUNEKSA-N	424.953	5.055	30	20	HKED	
CC(C)C[C@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	537512069	LTMJPWXZLHUEIP-UPVQGACJSA-N	421.541	5.047	30	20	HKED	
CCCc1nc2ccccc2n1CCC(=O)Nc1ccccc1SC[C@@H](C)C#N	537642808	BYKAGGSPCQYQGR-KRWDZBQOSA-N	406.555	5.269	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1	538532800	VUIALFKJODGOTF-UHFFFAOYSA-N	416.452	5.221	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(SCC#N)s1	538538326	XRMHLXHTAIKFMF-UHFFFAOYSA-N	422.557	5.120	30	20	HKED	
N#Cc1c(NC(=O)Cc2cccc(OCc3cccnc3)c2)sc2c1CCCCC2	539947016	MGDVFNRXWRFYQQ-UHFFFAOYSA-N	417.534	5.044	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)c2)c1	540644685	PLUFWNMBCAPBJA-RPBOFIJWSA-N	420.459	5.035	30	20	HKED	
CCCn1c(C)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cc(OC)ccc21	561363991	SWQKGIAVCUDIGN-MRXNPFEDSA-N	421.566	6.015	30	20	HKED	
N#C[C@H](C(=O)c1cncnc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	574674979	ARGSAVQXEBMIBB-QGZVFWFLSA-N	416.893	5.411	30	20	HKED	
C=C[C@H](CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1	583581108	ZAGSGYVULVQQDL-UZUQRXQVSA-N	417.471	5.649	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](C)c1cccc(C#N)c1	586778342	UZFLIIZVRGQYOS-QWHCGFSZSA-N	409.839	5.298	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)c1	589741509	JKXKBPPZNUQKMM-QFIPXVFZSA-N	404.514	5.380	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1	604135309	PPEIHEGSVWKNRU-IBGZPJMESA-N	421.378	5.041	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)ccc21	604690827	GENOSVOYSWIDPQ-MRXNPFEDSA-N	422.410	5.674	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OC3CCC3)n2)cc1	605362702	PKQBMWWRPNWPAA-LJQANCHMSA-N	404.491	5.240	30	20	HKED	
N#C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(OCc2ccccc2)cc1	609028667	MLBZBDRYMFFLQU-VWLOTQADSA-N	409.489	5.061	30	20	HKED	
CC[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1OC(F)F	609080506	IRDHOTSVKOGOAJ-CYBMUJFWSA-N	411.355	5.034	30	20	HKED	
COc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(C)C	609175922	PEEHLJBJPYLPLD-UHFFFAOYSA-N	402.450	5.399	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F	609377299	SFYQHNWRLWRJRU-ZDUSSCGKSA-N	415.440	5.758	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(Cl)s1	609378474	KNPHAYXJCHAXCA-UHFFFAOYSA-N	418.893	5.997	30	20	HKED	
COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	609435326	HEKDNLJHTKFVLF-PKOBYXMFSA-N	409.555	5.328	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	609436999	JFEJCLXMERZFAY-GCJKJVERSA-N	421.610	6.747	30	20	HKED	
Cc1cc(CNC(=O)C2(C#N)CCOCC2)ccc1Oc1ccc(Cl)cc1Cl	609449998	HRRZMISTBFSZIL-UHFFFAOYSA-N	419.308	5.031	30	20	HKED	
CCO[C@H](C)c1nc(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cs1	609754107	BXRDPUAKXLJNEG-CYBMUJFWSA-N	423.563	5.121	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1	610325169	FBWAHLXZIAZPNW-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1F	611358087	DYEKHUGKPGFVJM-MSOLQXFVSA-N	423.488	5.160	30	20	HKED	
C=CCC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(C(F)(F)F)cc1	611406939	FLXITNJOHLNPJP-MRXNPFEDSA-N	405.376	5.552	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H]3CCOC3)CC2)cc1Cl	612300598	TZCANSWRBMBITO-KNQAVFIVSA-N	423.944	5.276	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N1CCC[C@@](C)(C#N)C1	612335371	OMNFUJQETWQMJE-QFIPXVFZSA-N	408.502	5.568	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccc(F)cc2s1)c1nc2cc(C(F)(F)F)ccc2s1	613404333	KZTBOMLHJVSQJR-LBPRGKRZSA-N	420.412	6.159	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F	615638629	DVDHVLDKKFWQJG-AWEZNQCLSA-N	402.420	5.029	30	20	HKED	
Cc1cc(C#N)ccc1CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1	616121262	VFOXQTBVNGKSBR-QFIPXVFZSA-N	406.327	5.098	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642395797	DQPUQFJBDKEROQ-BQBZGAKWSA-N	408.264	5.135	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	674617064	VOFRSSRGZWMIBZ-MJBXVCDLSA-N	414.365	5.295	30	20	HKED	
Fc1cc(-c2ccncc2)ccc1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	678206606	RWOLKFSLQYRAFC-HOTGVXAUSA-N	406.345	5.450	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)c2c(c1)C[C@H](C)O2	728440290	LWYIDDKQPJVBCI-FUEXJSSKSA-N	406.450	5.238	30	20	HKED	
O=C(/C=C/c1csc(-c2cccs2)n1)c1ccccc1I	728440304	MDTOVAMVROVOFC-BQYQJAHWSA-N	423.300	5.372	30	20	HKED	
O=C(/C(=C/c1nccn1CC(F)(F)F)c1nc2ccccc2s1)c1ccccc1	728694909	MYBQQTOUFCWJFI-QINSGFPZSA-N	413.424	5.479	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1	732496520	XJVOFPUMIGJTDF-HXUWFJFHSA-N	401.491	5.107	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)c1ccncc1	734234571	QUVQLWHRRVBTCL-QFIPXVFZSA-N	410.477	5.154	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	739179457	DNVKJNQMRHHQQR-IAQYHMDHSA-N	406.404	5.509	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4ccc(Cl)cc34)n2)cc1	740536455	TXJWXFZLKNGYTC-GOSISDBHSA-N	405.910	5.672	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	740822901	DPEIYLOCENNZGO-UHFFFAOYSA-N	407.942	5.479	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(N4CCSCC4)cc3)c2)cc1	741577417	JTDHSMYJZOAWHT-UHFFFAOYSA-N	415.518	5.156	30	20	HKED	
O=C(/C=C/c1cccc2ccccc12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741845030	XSPCDJIIZKOSKU-JLHYYAGUSA-N	404.409	5.072	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	743997490	PALINJRYWNFZEA-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1cccc(C(F)(F)F)c1	744015961	FSHDKLURGBZMKD-LVMGUKCRSA-N	410.395	5.490	30	20	HKED	
CCCOc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	744030524	HCLGUPDXNUHILL-QGZVFWFLSA-N	419.308	5.062	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(F)c1	744035578	PDENHITUZPJTJM-BZNIZROVSA-N	419.308	6.236	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[C@@H](O)c2ccccc2)cc1Cl	750590022	KQFXKWVHXVJPIG-JTHBVZDNSA-N	419.912	5.241	30	20	HKED	
CC(=NNc1oc(C(C)C)nc1C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750936694	HJNMSEIGJLHANN-UHFFFAOYSA-N	404.314	5.543	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(OC)cc1	752477299	NLPGXTBBTZRYQE-SUMWQHHRSA-N	419.308	5.233	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccccc4C#N)nc(O)c23)cc1	755578498	DYJRTUJSISLVOA-VCHYOVAHSA-N	403.894	5.981	30	20	HKED	
C[C@H](OC(=O)c1ccc(CC#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1	758695097	AAWCAMALXJIXLC-NSHDSACASA-N	402.237	5.027	30	20	HKED	
Cc1nc(/C=C/c2nc(Cl)cs2)sc1C(=O)/C=C/c1nc(Cl)cs1	759077155	RLECZPIVDHYQOX-MQQKCMAXSA-N	414.364	5.738	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCCN1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	768781517	SEHYQYWEFIPHSX-FPOVZHCZSA-N	421.953	5.304	30	20	HKED	
CN(Cc1ccccc1NCc1ccc(N(C)CCC#N)cc1)C(=O)OC(C)(C)C	770526709	AXFUVVUSPBJVMJ-UHFFFAOYSA-N	408.546	5.015	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3cccs3)cc2)ccc1OC	772977921	DAIIESBTTRPUTQ-DYESRHJHSA-N	406.551	5.955	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2oc3ccc(OC)cc3c2C)ccc1OC	772984297	CVOKEIKQEOIJFB-FUHWJXTLSA-N	408.498	5.290	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccccc4)sc32)c1	772985758	YEQZIFWSZSQQQX-FPOVZHCZSA-N	403.551	5.658	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(Cl)cc(C)cc32)ccc1OC	772987089	RLQJUVXHYJDNCB-YLJYHZDGSA-N	414.933	5.342	30	20	HKED	
C[C@H](NCc1nc2cc(F)ccc2n1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	772995811	FFNJXRSVAOLUAD-JTQLQIEISA-N	419.344	5.601	30	20	HKED	
N#CC1(c2ccccc2)C/C(=C\c2ccc(F)nc2)C(=O)/C(=C/c2ccc(F)nc2)C1	777465841	JKOKOSOHNWJTHF-ROUMAOROSA-N	413.427	5.046	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(C#N)cc4F)c23)cc1	781121823	MXOICRIPYZVCRI-UHFFFAOYSA-N	417.469	5.214	30	20	HKED	
N#CC1(C(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)CCCCC1	786672293	MFFDUMKCHGBZAD-UHFFFAOYSA-N	401.260	5.016	30	20	HKED	
CCC1(CC)Oc2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)cc2O1	786831767	QQDKLGKBPOXGMS-UHFFFAOYSA-N	402.498	5.363	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccccc2Oc2ccccc2Cl)n1	788559201	YLVOLBVYJJGRCQ-UHFFFAOYSA-N	408.889	5.016	30	20	HKED	
Cc1ccc(OCc2nc(COC(=O)C[C@@H](CC#N)c3ccccc3)cs2)cc1	795981010	KUVPYGJDBYIOOL-LJQANCHMSA-N	406.507	5.161	30	20	HKED	
N#Cc1cccc(COc2ccc(NCCCC3(C#N)CCOCC3)cc2Cl)c1	798387522	HHFMIUOGORJODJ-UHFFFAOYSA-N	409.917	5.303	30	20	HKED	
C#C[C@H](NC(=O)c1ccccc1SCc1cscn1)c1ccc(Cl)cc1F	804419796	WRCJAZAEQSKCJX-SFHVURJKSA-N	416.930	5.332	30	20	HKED	
CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccc(C(F)(F)F)cc1O	810225443	DJDKEZMPQIZPAQ-AEFFLSMTSA-N	422.447	5.341	30	20	HKED	
COc1ccc(NC(=O)OC(C)(C)C)c(NCc2ccc(N(C)CCC#N)cc2)c1	816664438	MDQSSMBMHBTRRR-UHFFFAOYSA-N	410.518	5.004	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cc(C(F)(F)F)ccc1F	857502116	XDJMKXHYNVLZMW-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccc(Br)s1	915981519	RFIKDECRNUVGGC-UTCJRWHESA-N	400.297	5.381	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(F)cccc2s1	916887186	MZBXVCDAIVGLIW-ZDUSSCGKSA-N	420.437	5.316	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2ccc(F)cc12	916927815	OUMWIISZBAKWDR-ZDUSSCGKSA-N	405.212	5.148	30	20	HKED	
CC(C)NC(=O)[C@@H](C#N)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1	916945360	OUYYOSCSSITJHA-INIZCTEOSA-N	421.349	5.133	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(Br)c1)c1nc2cc(Cl)ccc2s1	917046405	JSACGIOZDMEYGA-AWEZNQCLSA-N	419.731	5.521	30	20	HKED	
CCSCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	918488040	ZSKVASLWBOZCQT-HNNXBMFYSA-N	407.322	5.208	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CSc1cccc(C(F)(F)F)c1	920106058	JMWOHKLRGBVLHV-INIZCTEOSA-N	416.424	5.179	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccccc3Cl)n2)cc1	920139636	WJWFWIRWVUVKTP-OAHLLOKOSA-N	414.939	5.441	30	20	HKED	
CC1(C)CCc2nc(O)c(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2C1	1543169934	PQJORCOEGKAXTM-UHFFFAOYSA-N	413.477	5.218	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1	1790285426	ZHAWATJBPCWEEC-UHFFFAOYSA-N	423.516	5.123	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1824143906	UWEMEIHPPZXCDO-ZXYASIKESA-N	412.618	5.121	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1	1824243982	YRCFQIUFUDBZBB-GPUOULLFSA-N	424.629	5.258	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2C)CC1	1827803855	SBQLNIBBZKGZEH-UNMCSNQZSA-N	414.615	5.058	30	20	HKED	
O=C(O)C1(/N=C(\c2ccc(Br)cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1	1857777150	YKXUGYSINCCLFZ-XBVCBVALSA-N	418.718	5.313	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(C)nc(C)c2C#N)c2ccccc2)c1	22524519	UWSNHMFPPGONSC-NRFANRHFSA-N	402.523	5.054	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1	47140723	CNBIXKSXLZOKNI-OAHLLOKOSA-N	419.978	5.284	30	20	HKED	
C=CCn1c(SC(c2ccc(F)cc2)c2ccc(F)cc2)nnc1-c1ccncc1	103971720	MSDQFLCULARQCD-UHFFFAOYSA-N	420.488	5.686	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)N[C@H](C)CC)cc1	154511103	NHSKZJWKYPUWGW-OAHLLOKOSA-O	400.612	5.150	30	20	HKED	
CC(C)Oc1ccc(CNCc2ccc(N(C)CCC#N)cc2)c(C(F)(F)F)c1	236718264	CSUBPWRSVVLIOL-UHFFFAOYSA-N	405.464	5.132	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N(CC)C2CCCCC2)nnc1-c1cccc(C)c1	255933116	DFDFGAKWDJTDSK-SFHVURJKSA-N	412.603	5.101	30	20	HKED	
N#Cc1cnc(N[C@H](Cc2ccccn2)c2ccc(Br)cc2)c(Cl)c1	302697366	TXDQNHGVPTWNRR-GOSISDBHSA-N	413.706	5.160	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	303391944	OYQQDWFTIORMHB-JOCHJYFZSA-N	421.541	5.145	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1	410346588	KCLJBYWGKHHCPM-OAQYLSRUSA-N	418.585	5.054	30	20	HKED	
C=CC[C@H](C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)c1ccccc1	427009516	RFQFEICNHSYHSF-NRFANRHFSA-N	403.551	5.271	30	20	HKED	
CCN(CCC#N)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1	429055456	TUBNFFOFJJJHIT-UHFFFAOYSA-N	404.333	5.368	30	20	HKED	
FC(F)(F)Oc1ccc([C@@H](NCc2ncccc2C(F)(F)F)C(F)(F)F)cc1	429340392	IIHZRUSQEYEAGU-CYBMUJFWSA-N	418.259	5.392	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(C(C)(C)C)on1	430109634	DGVAGXCKRPBGPU-UHFFFAOYSA-N	418.950	5.274	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	432061970	OGUHQBDWEIDELH-QFIPXVFZSA-N	415.497	5.326	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1cc2ccccc2[nH]1	434214816	AAGWODRYJKUYTC-UHFFFAOYSA-N	424.504	5.291	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	435824624	FMOFGRGIQRGEQH-UHFFFAOYSA-N	408.910	5.225	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	437495382	JHYFYCHDWUVJAC-VGSWGCGISA-N	424.591	5.179	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1c[nH]c2ccc(Cl)cc12	438061278	YZSLTKALINARAT-CQSZACIVSA-N	412.946	5.580	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(Cl)c1	438882406	JKGKHTJUPUGRBT-UHFFFAOYSA-N	417.925	5.206	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1	439373519	PRZGBUFLMJTWBF-OAQYLSRUSA-N	402.523	5.540	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]2Cc2ccccc2)cc1	443863713	RQVRWBUCFDVJAR-NRFANRHFSA-N	413.477	5.208	30	20	HKED	
Cc1nn(C)c(C)c1CNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	462172156	XGRXDSKTSHOHOU-UHFFFAOYSA-N	400.404	5.332	30	20	HKED	
N#CCCCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1	463285842	UJMTXZKXRGEBPR-UHFFFAOYSA-N	413.905	5.830	30	20	HKED	
C[C@@H](C(=O)N(c1ccccc1)c1ncccc1Br)c1cccc(C#N)c1	464209896	RITKZONQYZJBTJ-OAHLLOKOSA-N	406.283	5.184	30	20	HKED	
Cc1cccc([C@H]2CCCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)c1C	464596155	CJQCHAYLDWOXPV-XMMPIXPASA-N	417.553	5.084	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	464855339	HGLABWGUSOLKOZ-QGZVFWFLSA-N	413.477	5.108	30	20	HKED	
Cc1csc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)n1	466094718	QZHKAPQXWINFFN-OAQYLSRUSA-N	418.522	5.697	30	20	HKED	
O=C(CCc1ccc(-c2ccccc2F)o1)N(CCC(F)(F)F)CC(F)(F)F	468513241	CHSOYRYMLNPZQZ-UHFFFAOYSA-N	411.317	5.362	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1	472075173	UDAUZGONBXEAIR-KRWDZBQOSA-N	408.477	5.033	30	20	HKED	
CCOc1ccc(Oc2cc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)ccn2)cc1	475029348	DKDRTUCSKMFNBD-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	475556122	OGCNSCSGSZIZEZ-AUSIDOKSSA-N	411.615	5.805	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	475604058	UPZAGIWDKUZFTG-OAQYLSRUSA-N	413.452	5.302	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1	476064253	SQQYPLLHUUGARY-UGKGYDQZSA-N	418.928	5.481	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1	476155889	QXMJJGUZUZIRGH-UHFFFAOYSA-N	405.498	5.168	30	20	HKED	
N#Cc1ccc(CNc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc1F	479465060	JNKFFAQIBYFYMR-UHFFFAOYSA-N	405.860	5.052	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2O)cc1	479514626	GLFPPUZDECRSHD-UHFFFAOYSA-N	415.396	5.081	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)c1ccccc1	479739440	CPVKRDFHEGASFD-OAQYLSRUSA-N	402.469	5.305	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(C)[C@H](C)c2cc(C)ccc2C)nnc1-c1ccco1	480093533	PQBJRLWHTJCHRX-GOSISDBHSA-N	424.570	5.043	30	20	HKED	
CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(F)c1	480824190	YNWJPZMJWKOMPT-NQIIRXRSSA-N	423.488	5.085	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1-c1ccccc1Cl	481981373	CVKNZIUETIQNMJ-UHFFFAOYSA-N	410.930	5.289	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482314765	FPUYDJJJQSCZHC-HNNXBMFYSA-N	408.317	5.290	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2c1	483216488	AWOGKZFOSLOQII-INIZCTEOSA-N	405.251	5.542	30	20	HKED	
C[C@@H](OCCCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	484910430	XXPYWPNSWDGDNC-LJQANCHMSA-N	400.478	5.248	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c(F)cccc2F)CC1	486536089	RQOPZFBRNOLUHF-HNNXBMFYSA-N	415.509	5.628	30	20	HKED	
Cc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1NC(=O)c1ccccc1	487576672	RLNNUIAIJAPVDG-HSZRJFAPSA-N	411.505	5.412	30	20	HKED	
COc1ccc(-c2nc(COc3c(C#N)cnc4ccc(C)cc34)cs2)cc1OC	488292172	XFJZUMMFBHHKAQ-UHFFFAOYSA-N	417.490	5.135	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1	493897282	MXZWCQOUOWIPEX-LJQANCHMSA-N	406.551	5.321	30	20	HKED	
COc1cc2nc(/C=C\c3ccc(OC)c(OCCCC#N)c3)sc2cc1OC	494047384	HRFPFVBXNZREHC-CLFYSBASSA-N	410.495	5.175	30	20	HKED	
CC(C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	498696046	IWYSCLOGDREJCQ-INIZCTEOSA-N	410.930	5.608	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	506593579	FGMMMWCVPRNFES-CYBMUJFWSA-N	416.243	5.548	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)c2)cc1	506647015	FJLSZZGNPIZPLL-ROUUACIJSA-N	402.416	5.249	30	20	HKED	
CCN(C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)[C@H](C)c1ccc(C#N)cc1	509574572	JUKZELRVZYWAJS-CYBMUJFWSA-N	401.388	5.161	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1	511626038	GNRZOZDFGYSVMO-IBGZPJMESA-N	412.331	5.619	30	20	HKED	
COCCn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccccc21	512783237	MXRZJPQQLPCXNN-UHFFFAOYSA-N	411.461	5.204	30	20	HKED	
COc1cc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OC(C)C	513290665	CCXMFTSJYUQQMI-SFHVURJKSA-N	414.505	5.512	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1	513605495	SYPIXDGKUWODAG-INIZCTEOSA-N	424.422	5.657	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](OC(C)(C)C)c1ccccc1	513807376	AFOIZJDGALJOJN-JOCHJYFZSA-N	415.493	5.549	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCCc1ccc(Br)s1	516374486	CWKRSTLSTRCUNV-UHFFFAOYSA-N	419.797	5.166	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2c(Cl)cccc12	516713631	DCGPBKMQRDRNDR-INIZCTEOSA-N	417.877	5.880	30	20	HKED	
CCOc1ccc(OC)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	517151567	HKVKWJXHVWVVJG-UHFFFAOYSA-N	404.491	5.369	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	518695658	FNCMUHBTYJMINK-CYBMUJFWSA-N	412.465	5.109	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)CCc3cc(Br)cs3)c2C#N)C1	521677559	MTDFJTPGQWGQOF-SNVBAGLBSA-N	409.374	5.140	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)Nc3cccc(OCCCC#N)c3)s2)cc1F	522219167	JCBUZVSIVRTICO-UHFFFAOYSA-N	424.501	5.508	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCn3c2nc2ccccc23)c1	523880620	NVDSLNNTXJIYEO-UHFFFAOYSA-N	414.852	5.014	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(O)ccc3C(F)(F)F)c2)c1	530434558	GBNGWNNBFXYTHK-UHFFFAOYSA-N	412.367	5.114	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	530790427	DQHHLKULOKEMMG-AWEZNQCLSA-N	424.957	5.546	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccccc2Cl)nc1	531307550	KPYCYOKTAHJYMH-OAHLLOKOSA-N	423.925	6.031	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	532938346	YJVSQGQRSYMJCL-INIZCTEOSA-N	420.896	5.413	30	20	HKED	
Cc1c(C(=O)N[C@](C)(C#N)CCc2ccccc2)sc2nc(C(F)(F)F)ccc12	533046411	SJGDVMLQHZKPFW-FQEVSTJZSA-N	417.456	5.268	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccccc2CCC(F)(F)F)c1C	534000584	QEGIFMKFJOCBMZ-UHFFFAOYSA-N	412.415	5.108	30	20	HKED	
CC(C)Cn1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C(F)F)n1	535642356	PLGQORLLOLAPJI-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@](C)(C#N)CC(C)C	536079826	MPPNGPYPZGCPQI-HXUWFJFHSA-N	421.925	5.160	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc([C@@H]4CCOC4)c3)cc2F)c1	536459402	MKJAJMACNMQEBO-OAQYLSRUSA-N	416.452	5.033	30	20	HKED	
Cc1c(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cnn1-c1ccccc1	536942106	WXNBIERTRDVDFJ-UHFFFAOYSA-N	407.477	5.041	30	20	HKED	
Cc1ccccc1OCCCC(=O)Nc1ccc(CNCc2ccc(C#N)s2)cc1	537227153	ZJGFSRRONVRSDR-UHFFFAOYSA-N	419.550	5.016	30	20	HKED	
N#CC1(CCCSc2ncnc3cc(-c4ccc(F)cc4)sc23)CCOCC1	537308136	PFSWRAWZKVBQQE-UHFFFAOYSA-N	413.543	5.690	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1)O[C@@H](C)C2	538072806	RJLLQHLFUDCZTH-DCPHZVHLSA-N	424.928	5.090	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(OCC2CCCC2)CC1	540861173	VCHJFLLZCCCRQW-UHFFFAOYSA-N	404.510	5.162	30	20	HKED	
CCOc1c(OC)cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	541088096	VZWHOZVYPHNSKY-GOSISDBHSA-N	416.521	5.492	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	543495261	WEEKENVDPQRXRJ-YKSBVNFPSA-N	416.452	5.140	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1	543943967	UXFTZYDAOPJNHD-VGOFRKELSA-N	400.482	5.129	30	20	HKED	
Cc1ccc([C@@H]2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)C2)cc1	544235591	GMGSVYDUWPFASL-JOCHJYFZSA-N	424.504	5.140	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	553330041	UNYJMBOHBXYHIU-UHFFFAOYSA-N	417.321	5.437	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1N1CCCCCC1	553983721	SOHQSDFPGPUUIA-UHFFFAOYSA-N	408.502	5.195	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1	554714150	QQCLIMNCTSXKBZ-WBVHZDCISA-N	406.835	5.723	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	554925019	PGCQTDRYVJQTFW-UHFFFAOYSA-N	421.541	5.339	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	558512868	YPCVDCZGOBOABZ-OAHLLOKOSA-N	406.873	5.624	30	20	HKED	
Cc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1NC(=O)Nc1ccccc1	558557222	PMBPRHJSOUTSNR-UHFFFAOYSA-N	416.456	5.339	30	20	HKED	
N#CCC1CCN(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)CC1	562303148	RIWJUTQSFMXDTE-UHFFFAOYSA-N	405.285	5.338	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)cc2)ccn1	577684505	IQFTZKWRGRPLON-SDHSZQHLSA-N	424.504	5.546	30	20	HKED	
C=CCC(C)(C)c1noc(/C=C/c2csc(N(C(C)=O)c3ccccc3F)n2)n1	582978990	HGPRNAHCLUJZOP-ZHACJKMWSA-N	412.490	5.374	30	20	HKED	
N#CCCCCCC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1	588306481	IMZZDEFVBVZEQR-UHFFFAOYSA-N	404.432	5.930	30	20	HKED	
N#CCCCCCC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	588681593	FXGICIVFNTVPSZ-INIZCTEOSA-N	422.369	5.098	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](C#N)c1ccc(F)cc1	591723194	KVQMAYLIVPMLOB-MRXNPFEDSA-N	419.403	5.271	30	20	HKED	
COc1ccccc1CCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	603532444	HWROQSYCLFFHKP-UHFFFAOYSA-N	402.469	5.180	30	20	HKED	
CSc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1NC(C)=O	603968581	CWWBMQQHWJCGBV-UHFFFAOYSA-N	407.520	5.219	30	20	HKED	
N#Cc1c(NC(=O)c2cc(-c3ccccc3F)on2)sc2c1-c1ccccc1CC2	604118423	WLYZZFUTGXUVJV-UHFFFAOYSA-N	415.449	5.432	30	20	HKED	
CCC[C@@H](C#N)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	608815572	WBWKFFAXPRCXGU-INIZCTEOSA-N	407.297	5.003	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12	609020839	YHULWDFFNQSNMH-UHFFFAOYSA-N	414.465	5.660	30	20	HKED	
CCc1noc2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc12	609377995	NPDVDIYXEGDXTK-UHFFFAOYSA-N	420.416	5.062	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	609398780	QEUDMEHMJVTVCL-PXNSSMCTSA-N	409.555	5.706	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1cc(Cl)cc(Cl)c1	609399409	USHIAEDMCHWRAM-CYBMUJFWSA-N	408.354	5.609	30	20	HKED	
COc1cc(CNCc2cccc(OCc3ccccc3C#N)c2)ccc1OC(F)F	609432857	WHMYYDDOHPLOMK-UHFFFAOYSA-N	424.447	5.037	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609505855	XRZMJDLWQIRJQC-MRXNPFEDSA-N	414.490	5.392	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](c4ccco4)C3)cc2Cl)c1	609556584	YSMWAMRFLIJDMG-SFHVURJKSA-N	421.884	5.405	30	20	HKED	
Cc1cc(N(C)C)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609727598	NNPALMJBTXUEKR-UHFFFAOYSA-N	405.885	5.631	30	20	HKED	
CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1	609754249	IWDOXGFUELMFPT-OAHLLOKOSA-N	407.495	5.086	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCS[C@@H](c4ccccc4)C3)cn2)cc1	609807161	DEJFPDWVRKCYNF-OAQYLSRUSA-N	416.506	5.068	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1ccnc2ccccc12	609907158	OESQIXTWFMWKBG-UHFFFAOYSA-N	423.491	5.720	30	20	HKED	
CC(=O)N(c1nc(CSc2ccc(C#N)cc2F)cs1)c1cccc(C)c1C	610164667	NZFMNSAZLNZJLH-UHFFFAOYSA-N	411.527	5.748	30	20	HKED	
C[C@@H](NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(C#N)c1	610357051	FXGXLXQJUPAMFY-JPYJTQIMSA-N	408.505	5.232	30	20	HKED	
CC(C)c1c(NC(=O)c2cc3ccccc3n2CC#N)cnn1-c1ccccc1Cl	616699755	HUPULLRXOSIGPB-UHFFFAOYSA-N	417.900	5.380	30	20	HKED	
Cc1ccc(-c2cc(C(=O)NCc3ccc(OCC#N)cc3)c3ccccc3n2)cc1	727678823	IOZAQUGTORUGDB-UHFFFAOYSA-N	407.473	5.043	30	20	HKED	
COc1ccc(/C=C2/COc3cc(C)c(Cl)c(C)c3C2=O)cc1OCCCC#N	727780877	VRZJQIXQQQTJAS-BOPFTXTBSA-N	411.885	5.307	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3csc(-c4ccccn4)n3)s2)cc1	727974647	LIVZMDYGXVCTKL-FLIBITNWSA-N	419.531	5.542	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc2ccccc2c1	727978207	CHIVNUGKUUEQIY-UHFFFAOYSA-N	423.541	6.408	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1Cl	728063156	XVNISMIJOKYACB-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3cc(F)c(F)c(F)c3)SC2=S)cc1Cl	728083115	DRSSVYBNBZYWSU-RZNTYIFUSA-N	410.829	5.035	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	728770773	WZHYORXKSYTLDJ-BEFAXECRSA-N	401.491	5.060	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12	731332488	MLFBFUXNCRAONR-QGZVFWFLSA-N	424.529	5.943	30	20	HKED	
CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)C	734701759	LYZBPQFUAXCMRD-XZOQPEGZSA-N	419.569	5.248	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3ccccc3F)oc2C)cc1	739156477	XWSGVUVSYAJZGC-IFXJQAMLSA-N	419.456	5.264	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1F	741846449	GBFWVXUVIVSGFN-VQHVLOKHSA-N	404.846	5.039	30	20	HKED	
N#CCOc1ccccc1C(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl	742002186	WZXINQLMIBMBGG-NRFANRHFSA-N	412.823	5.040	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CSCc2ccc(Br)cc2)n1	747193697	NHYNODIXXRSLCO-AWEZNQCLSA-N	409.374	5.139	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)ON=Cc3c(C)nn(Cc4ccccc4)c3C)o2)cc1	748100365	LMWHNDXIOHADQP-LJQANCHMSA-N	415.497	5.018	30	20	HKED	
COc1cc(/C=C2\CCc3cc(SC)ccc3C2=O)cc(Br)c1O	748148089	QMPZCFSJOLKWQN-NTUHNPAUSA-N	405.313	5.098	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)s1	749016522	IBZBBFHWFFFENV-NTUHNPAUSA-N	410.517	5.340	30	20	HKED	
N#Cc1ccc(CN2C/C(=C/c3ccsc3)C(=O)/C(=C/c3ccsc3)C2)cc1	749454103	WFGQQEFEKMNVEI-CHQRTDLRSA-N	402.544	5.233	30	20	HKED	
C/C(=C\c1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	750689916	NUSHAIHAGNOIMO-KUCQQTCKSA-N	404.388	5.734	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1F	751351672	NWTAUOWBPZVBBB-OAQYLSRUSA-N	416.452	5.091	30	20	HKED	
C#CC[C@H](NC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl)c1ccccc1	757779954	ZAXLRQZVVGSRCZ-PMACEKPBSA-N	412.965	5.112	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc2ccccc2n1C(F)F	759222472	QDNLQZBGXCMWNC-YDZSZYSISA-N	422.822	5.523	30	20	HKED	
COc1cccc(C=NO[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1OC	763172514	PEDKABSBLZLPMB-AWEZNQCLSA-N	400.862	5.432	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1	764055588	URCPXULFUGRYRP-LOSJGSFVSA-N	410.521	5.450	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1	767869029	JWLNWYWDIGCXBJ-NRFANRHFSA-N	401.551	5.001	30	20	HKED	
N#C[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	768175264	NXQMDTDECGIMES-KRWDZBQOSA-N	404.388	5.568	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(-c3cncnc3)cc2F)cc1	775101580	OHWOPFNSZSFJGK-UHFFFAOYSA-N	409.420	5.178	30	20	HKED	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	775986457	RRENJHCVYPHBGF-OWSXEPHWSA-N	417.484	5.379	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1Br	776015370	HBTHWOLLLQNJKI-OAHLLOKOSA-N	415.331	5.176	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cc(Br)cnc1Br)c1ccccc1	777738597	WZFQYAABSJCWOU-CQSZACIVSA-N	424.136	5.295	30	20	HKED	
Cc1cccnc1C(F)(F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	782588260	JLESEXQBLVQIEE-GOSISDBHSA-N	411.839	5.429	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)F)cc1)c1ccc(Cl)cc1Cl	787050236	BZGVIDYCODKNFQ-ZUZCIYMTSA-N	411.235	5.131	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(C#N)cc2Cl)c(OCc2cccnc2)c1	788361012	ROGPNFFAITUHNI-TWGQIWQCSA-N	404.853	5.090	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1	790054491	PDJYRGLHGXKIQO-INIZCTEOSA-N	418.852	5.074	30	20	HKED	
N#C[C@@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1nc(-c2c(F)cccc2F)cs1	796806966	JTTNGZULWCONJY-XUJLQICISA-N	412.436	5.597	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(Cl)c1SC(F)F	806250386	RSGGZISPJGFDMW-UHFFFAOYSA-N	416.877	5.350	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(C#N)c2ccccc2n1	809077556	YGAXSCZJXSCIJK-UHFFFAOYSA-N	402.454	5.014	30	20	HKED	
CC(C)(c1ccc(C#N)cc1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	904476079	BQDJNDQGDZLMKO-UHFFFAOYSA-N	419.488	5.332	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1	915087512	VKPZJMAPYLRQRQ-SANMLTNESA-N	418.496	6.097	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCCC3)cc2)cc1	915351837	HBLJQPJNKYBOAJ-AREMUKBSSA-N	424.548	5.260	30	20	HKED	
CN(CCOc1cccc(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915352228	IWUJKUMZKZNRHD-QHCPKHFHSA-N	419.912	5.538	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(C)nn(Cc3ccccc3)c2C)S1	915849094	XLYIBDWWSXSNNA-BKUYFWCQSA-N	416.550	5.057	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccncc2)ccc1OCCOc1ccccc1Cl	916136302	LFFCTSVWRUWXMD-SOFGYWHQSA-N	409.869	5.098	30	20	HKED	
CCCCc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928953	ZCKHNJHHQXOCEI-KRWDZBQOSA-N	403.309	5.226	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl	916932470	WCBOOJVJZBLLCF-HNNXBMFYSA-N	409.700	5.317	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCOc1cccc2ccccc12	920105418	GNDNLZDAJRLKKZ-NRFANRHFSA-N	410.473	5.380	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(F)cc4)CCCC3)n2)cc1	920143565	RLXZYXFZVZQCJD-FQEVSTJZSA-N	420.509	5.646	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	25115639	PCOBQSYPEJFBMZ-UHFFFAOYSA-N	421.840	5.184	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)cc2)C1	29112479	GSYNPYYZCKAHAI-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2c(F)cccc2Cl)cc1	55823623	YZJKQGVOQPBMQL-UHFFFAOYSA-N	408.860	5.305	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	64456007	DIHLPDIDRSPGLL-UHFFFAOYSA-N	416.264	5.100	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](c1ccccc1)n1cccn1	64935457	CCZUWOZQSPMWEA-DEOSSOPVSA-N	408.461	5.084	30	20	HKED	
CSc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	65758823	YNABOIRZMWOPAN-UHFFFAOYSA-N	404.560	5.502	30	20	HKED	
N#C[C@H](C(=O)CS[C@H]1CCCc2ccccc21)c1nc(-c2ccccc2)cs1	109144857	PFIIXUKDHVOYDT-KNQAVFIVSA-N	404.560	5.797	30	20	HKED	
N#CCCn1cc(/C=C\c2nc3cc([N+](=O)[O-])ccc3s2)c(-c2ccccc2)n1	211814795	MXUOQBOZACAMDP-YFHOEESVSA-N	401.451	5.152	30	20	HKED	
COc1cccc(-c2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cc2)c1	237572948	LGHXQQIJOBXCBQ-UHFFFAOYSA-N	422.532	5.429	30	20	HKED	
COc1cccc([C@@H](CNc2ccc(C)c(C#N)n2)c2c[nH]c3ccccc23)c1OC	302718448	OACHBBHMAVBBBU-HXUWFJFHSA-N	412.493	5.004	30	20	HKED	
C=CCNC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(Cl)s2)nc1C	302982891	FRMFVNNOERRGCH-UHFFFAOYSA-N	417.943	5.002	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	303291641	BFKGEZVWNOQWLU-KBPBESRZSA-N	422.381	5.677	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)c1	303451068	JOXYSLOMSURNDM-MOPGFXCFSA-N	415.320	5.039	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C(F)(F)F	303494189	MDBOJUUYJKJYMU-OAHLLOKOSA-N	416.378	5.150	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(COc2cccc(F)c2)c1	303556012	MMFSMVJZFHJNBW-UHFFFAOYSA-N	406.482	5.663	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NC(c3cccs3)c3cccs3)c2)cc1	303730742	DQZOKKOQJIJMBR-UHFFFAOYSA-N	416.527	5.993	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1	430516602	AHSGYEMYCGCBCE-UHFFFAOYSA-N	411.914	5.434	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)cc1	432207365	XLDIGWKQNCKRKD-UHFFFAOYSA-N	417.431	5.128	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c1	432797774	GQXJENLWFHMZFJ-CQSZACIVSA-N	413.346	5.017	30	20	HKED	
Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1NC(=O)C(C)(C)C	433140130	ZPUVHILUAZUMCY-HXUWFJFHSA-N	406.530	5.536	30	20	HKED	
CC(C)[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccnc1	436124204	AJIWRFMQNWOLJL-FYYLOGMGSA-N	403.913	5.769	30	20	HKED	
FC(F)(F)C[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1	437036253	UNKNPJKVLXPIJR-AWEZNQCLSA-N	422.335	5.315	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3coc(-c4ccccc4)n3)c2)cc1	438021338	UNAMBPAQPJFPFY-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]([C@H]2CCOC2)C1)c1ccc(C(F)(F)F)cc1	441536836	BPAQVGLXTUNQOL-BJLQDIEVSA-N	410.480	5.171	30	20	HKED	
C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1	442103233	PDNBDKWFGPMQKB-IIBYNOLFSA-N	423.944	5.019	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cs1	442532861	UKUIAUHUZCAOAW-OAHLLOKOSA-N	409.923	5.872	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc(Cl)ccc2Cl)c1C#N	445568432	YRNHLKDQHRGTLB-UHFFFAOYSA-N	403.294	5.025	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@@H](C#N)c2ccccc2F)cs1	464397858	JRGGNUKEFGIXNE-SFHVURJKSA-N	411.477	5.055	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1	468825411	CQVJWEGXIINIHM-UHFFFAOYSA-N	407.420	5.075	30	20	HKED	
CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1	470594824	NZBMTZZXEIEVCN-USEFPYCQSA-N	410.606	5.108	30	20	HKED	
Cn1c(CSc2ccc(C#N)c(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1	472187920	HDEJHUCXLSAYOZ-UHFFFAOYSA-N	408.836	5.318	30	20	HKED	
CCN(CCCN1CCCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	472348067	YXILYMORLZRENL-QFIPXVFZSA-N	424.976	5.335	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1	475271683	XXJUMYDCQMHWAK-QGZVFWFLSA-N	417.509	5.009	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)c1cn(-c2ccccc2)nn1	475566216	SHACNAWNQGOXGG-UHFFFAOYSA-N	403.530	5.176	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	475899781	NNXXKSPMOILFEN-UQBPGWFLSA-N	419.475	5.385	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccccc1	476059008	FBSAQURBTTWUNJ-ONOMSOESSA-N	408.567	5.294	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1ccccc1	476692873	CTEKVCXPCGGRGT-OXQOHEQNSA-N	415.306	5.339	30	20	HKED	
CCc1onc(C)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	476698510	YLMBAGZHNZVPQD-UHFFFAOYSA-N	415.371	5.481	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	482934178	QGGVMFRMMAKLBF-UHFFFAOYSA-N	421.294	5.982	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1nccc2ccccc12	483227952	CQYLYTZFUHLYNG-HXUWFJFHSA-N	420.497	5.639	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N(c2ccccc2)[C@@H]2CCOC2)cc1	485830614	NXAGAMNGJPHRMP-OAQYLSRUSA-N	400.503	5.145	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccc(O)c(Cl)c2)cc1	486261745	VMGLLXIJKZAKDN-UHFFFAOYSA-N	407.857	5.335	30	20	HKED	
Cc1ccc(F)c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1Br	486435820	RDUURLRYSWGYTJ-CYBMUJFWSA-N	416.077	5.198	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCc2ccc(Br)cc21	487566518	NTTMKSZPIPZKNY-UHFFFAOYSA-N	403.279	5.191	30	20	HKED	
O=[S@](Cc1cc(F)c(C(F)(F)F)cc1F)Cc1ccccc1OC(F)F	488800231	BYHLYZSZORRFFI-SANMLTNESA-N	400.315	5.034	30	20	HKED	
C=C(C)COc1cc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)ccc1OC	489143727	ZXEUUZILESDVHY-SFQUDFHCSA-N	409.507	5.665	30	20	HKED	
COc1ccc(-c2noc([C@@H](C)Nc3ccc(Oc4ccc(C#N)cc4)cc3)n2)cc1	489732610	XDZAKWFQEVQNAY-MRXNPFEDSA-N	412.449	5.582	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccnc(SCC(F)(F)F)c1	496335933	AXFOZSGXRKUWNY-UHFFFAOYSA-N	419.453	5.588	30	20	HKED	
CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccc(C)cc1)c1cccnc1	496476284	WZLNAPWNEBFUSA-VWLOTQADSA-N	415.562	5.133	30	20	HKED	
CCN(Cc1csc(-c2ccc(OC)cc2OC)n1)[C@@H](C)c1ccc(C#N)cc1	497594220	SQBULCLBJXAGBP-INIZCTEOSA-N	407.539	5.282	30	20	HKED	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	497717994	XCEBNCYZOCQLKB-IWAAJCSBSA-N	405.542	5.287	30	20	HKED	
CC(C)CN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(C#N)cc1	499308344	KPESXZCJPKCFIZ-UHFFFAOYSA-N	407.901	5.488	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccnc1OC1CCCC1	499768916	WWDDYPNFUOVLQM-UHFFFAOYSA-N	405.951	5.016	30	20	HKED	
CC(C)CN(C(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(C#N)cc1	500234570	XEPNDIDCDILMHX-UHFFFAOYSA-N	414.534	5.166	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)c2)cc1	501419440	GLZRWJCSNKMJDC-RBUKOAKNSA-N	416.443	5.639	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c1	504159940	YUUHRFLQADBRQT-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccc(OCc2ccccc2)cc1	505355391	HVGWUDNPCAMNJJ-IFMALSPDSA-N	420.559	5.039	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NCC(=O)N(CCC#N)c1cccc(C)c1C	509495870	XMWHHMOUADWOAT-UHFFFAOYSA-N	416.500	5.172	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)[nH]c(C)c1C(C)=O	512865694	VOXMUWZZHXWVFN-UHFFFAOYSA-N	415.493	5.703	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	514109698	SVOTYDUGLSUENC-NTKDMRAZSA-N	408.517	5.380	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2	520954080	UHEUNBBWOUGFBX-WFVLPUPGSA-N	413.496	5.482	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F	524743493	LGKRGOQZGLWWMT-INIZCTEOSA-N	403.448	5.506	30	20	HKED	
Cc1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1OCC1CCCCC1	525488897	LMQZWOOPDHGTCY-UHFFFAOYSA-N	422.573	5.252	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3cccc(Cl)c3)C3CCCCC3)o2)cc1	531858922	UVTOQJKHAIMKCW-QFIPXVFZSA-N	406.917	5.673	30	20	HKED	
COc1ccc(CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1C#N	532619038	MQEDUENXUURZFP-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)c3cccc(C(F)(F)F)c3)o2)cc1	532630545	HAFSXQUUAMICAS-UHFFFAOYSA-N	420.412	5.295	30	20	HKED	
C=C(C)[C@H](CC(=O)N(CCC)[C@H](c1cccnc1)c1ccc(F)cc1F)OCC	533762011	DQDIRCRIIBQMKD-JTHBVZDNSA-N	402.485	5.059	30	20	HKED	
N#C[C@H](C(=O)c1csc([C@H]2CCCO2)n1)c1nc(-c2ccc(Cl)cc2)cs1	534468106	NNFRXKZYRGFNBR-CZUORRHYSA-N	415.927	5.262	30	20	HKED	
C=CCCOCCCCC(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)c(Cl)c1	537299258	AVANADBGCAHIEV-UHFFFAOYSA-N	410.345	5.497	30	20	HKED	
COc1ccc(OCc2nc(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)cc1	537625598	OCYWBUFJBHJRRO-XZOQPEGZSA-N	419.550	5.002	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	539147566	QKVAJORYTLNLHJ-HNNXBMFYSA-N	404.445	5.330	30	20	HKED	
COc1cc(CN(C)C(=O)c2ccc(Cl)c(C#N)c2)ccc1OCc1ccccc1	542514635	IZGHKGHPBXRDKF-UHFFFAOYSA-N	420.896	5.071	30	20	HKED	
O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(C(F)(F)F)ccc1F	546527881	AMOYCABXDJSLQQ-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	546929742	BKRVTJAMMXZKPM-HNNXBMFYSA-N	409.383	5.129	30	20	HKED	
COCC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	551639749	NCBZVYWEHCTTHN-PMACEKPBSA-N	420.340	5.415	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCCc4c(Cl)ccc(F)c43)o2)cc1	557800074	OCCTZCPRVKJOBE-UHFFFAOYSA-N	410.832	5.116	30	20	HKED	
CCC(CC)(CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	558651652	LCKPHKQIHLQYAV-UHFFFAOYSA-N	424.976	5.060	30	20	HKED	
O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	558768352	PIGCOHROVJHEMI-ZIAGYGMSSA-N	412.349	5.193	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1	560811181	HNBXOKMVIHBEFK-IBGZPJMESA-N	422.834	5.128	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cnc1C(F)(F)F	571411282	BPKNLEZWJTYYJW-UHFFFAOYSA-N	405.395	5.086	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	573024301	ZUYGXTLADBWZBO-UHFFFAOYSA-N	414.490	5.624	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)ccn1	574369397	HQXWMTAMXIUZQK-ZEQRLZLVSA-N	423.476	5.049	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2Cl)cnc1C(F)(F)F	575140117	GOKPAHAVECJJCI-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccccc2SCc2csc(C)n2)c1	589381930	CECFJURQUOVCDV-UHFFFAOYSA-N	410.564	5.951	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	602226058	BWSRDAHVEBLCIR-MRXNPFEDSA-N	405.523	5.137	30	20	HKED	
COc1cccc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	603766769	XIJCBYUOUXKSLM-JOCHJYFZSA-N	404.897	5.575	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1cccc(OCCCC#N)c1	603972386	ZQOQSIACVATSPW-AWEZNQCLSA-N	419.344	5.251	30	20	HKED	
Cc1ccc(-n2c(S[C@@H](C#N)Cc3ccccc3)nnc2-c2ccncc2)cc1C	604071654	PBCWNBDWSWHAPP-JOCHJYFZSA-N	411.534	5.173	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1cccs1	609078607	CGMIUWWHLASDIR-QFIPXVFZSA-N	417.534	5.876	30	20	HKED	
Cc1cccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C	609682779	BYLYWMRESHIHLE-GOSISDBHSA-N	412.493	5.310	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)CSc3ccc(C#N)cc3)s2)cc1	610050587	DBIJIFGMEULTGV-QGZVFWFLSA-N	421.591	5.610	30	20	HKED	
CCCNC(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	610153021	IIJHFHKINOTHGU-UHFFFAOYSA-N	413.477	5.051	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)C1	612318022	FZXPNNNYSGZAAN-QFIPXVFZSA-N	421.888	5.233	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cnn1-c1cccc(Cl)c1	613292851	ZJSXQJGASGSCQP-IBGZPJMESA-N	414.896	5.687	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCc2cc(F)ccc21	619388809	IWMQGZKINVTZQG-REJLFOLJSA-N	412.349	5.022	30	20	HKED	
C[C@H](c1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1)C(F)(F)F	622379161	JTDLKLWYPJURNZ-SECBINFHSA-N	407.276	5.309	30	20	HKED	
O=C(NCC1CCC(F)(F)CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	669668357	IDNFVNYXVNLJSH-GHMZBOCLSA-N	410.349	5.021	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc2ccccc2n1	676103748	HGMFSBYEJKJPKK-HNNXBMFYSA-N	416.893	5.319	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1Cl	726473564	LRVJPDFBPYMUNW-UHFFFAOYSA-N	424.888	5.412	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(Cl)nc3)cc2F)c1	728175373	QYJKYOUATHNQAO-UHFFFAOYSA-N	412.877	5.134	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1csc(C(=O)O)c1	730148422	GBSCLINDURFSTR-WTKPLQERSA-N	411.866	5.248	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c(Cl)c1OC	730435197	ZKCUNUNSHMWOTP-CLFYSBASSA-N	412.825	5.212	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)c(OC(F)F)c1	734095168	LUFKDCISNQLFAN-DAXSKMNVSA-N	416.392	5.516	30	20	HKED	
C=CC[C@@H](NC(=O)c1csc(-c2cc(Br)cs2)n1)c1ccncc1	734360784	LWMCHTWYOZLWHC-CYBMUJFWSA-N	420.357	5.076	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2)cs1	734965884	OYHKSOQORMBCKV-RRFJBIMHSA-N	414.864	5.722	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C)cc1	739145011	ZMIORCCEEWHDJQ-DNVCBOLYSA-N	416.493	5.541	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(CC)[C@H](CC)c2ccncc2)c1=S	739888837	WJWASRYRKCMJGW-HXUWFJFHSA-N	411.550	5.232	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCCSC2=Nc2ccccc2)c1	741516776	BVKCFJNWMMRZIV-UHFFFAOYSA-N	423.582	5.072	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1	741915836	UMUQVMAOIVQCRQ-RUZDIDTESA-N	419.528	5.538	30	20	HKED	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)/C=C/c1ccccc1C#N)CCO2	741962001	QNJYJTCSCWWUDA-MYILAFDMSA-N	424.500	5.133	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cc(F)ccc3[N+](=O)[O-])cc2Cl)c1	742262096	VNQPBKIQRGPPEF-UHFFFAOYSA-N	411.820	5.450	30	20	HKED	
N#Cc1ccc(F)c(CNCc2ccc(-c3cccc(Br)c3)s2)c1	742382024	XWXLTNLKXODFOR-UHFFFAOYSA-N	401.304	5.478	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc12	742538241	VUOJUZYLUWLYJC-FQEVSTJZSA-N	414.534	5.666	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C	743093391	TVKUNIRXUUOSPF-CLJLJLNGSA-N	409.533	6.328	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(COCc3ccco3)c2)cc1	743470602	HPPPLSQZHJHZNK-FQEVSTJZSA-N	417.509	5.052	30	20	HKED	
CCS(=O)(=O)c1ccccc1Oc1ccc(N=Cc2cc(Cl)ccc2O)cc1	745976046	DORSLYZJEIXYHX-UHFFFAOYSA-N	415.898	5.382	30	20	HKED	
CC(=NNc1ncnc2c1cnn2-c1ccccc1)[C@@H](C)c1nc2ccccc2s1	748784929	DXEODVCEKZXCNC-CQSZACIVSA-N	413.510	5.017	30	20	HKED	
Cc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	751156906	KEYUQDIXMILPGV-CQSZACIVSA-N	402.491	5.657	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccn3)s2)CCc2nc(-c3ccccc3)sc21	753143212	SFDPYBNNUCEQGZ-NTCAYCPXSA-N	401.516	5.541	30	20	HKED	
CC(C)Cc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	754527611	FERIMYHFWDCZTQ-OAQYLSRUSA-N	403.551	5.603	30	20	HKED	
CC(C)(CCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1	754531855	NJNOFFYJCOWINR-INIZCTEOSA-N	403.309	5.399	30	20	HKED	
Sc1nnc(-c2ccccc2Br)n1N=Cc1cc2ccccc2s1	758373446	YIMITUJVEIEZHO-UHFFFAOYSA-N	415.341	5.093	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1cccc(OCC#N)c1	759492911	FPDZFNVLFOMCGE-INIZCTEOSA-N	406.511	5.246	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CN(Cc2ccccc2)Cc2ccccc2)n1	760154891	ZXQHTSRRPIXVIS-NRFANRHFSA-N	403.551	5.145	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-]	760390157	FPVSDDACPHIUFX-UHFFFAOYSA-N	405.385	5.267	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1nc(-c2ccc(F)c(F)c2)no1	767824499	PBQJNWUUJVIPOF-UHFFFAOYSA-N	407.829	5.004	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1NCc1cccnc1)c1nc2cc(Cl)ccc2s1	776080935	KESXHFGFMVOVKT-KRWDZBQOSA-N	418.909	5.447	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1	776183162	RBURFUYTVROHJM-NYVOZVTQSA-N	418.459	5.019	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2N2CCCCC2)cc1	778257214	UBCHQRWSNMKGLE-RUZDIDTESA-N	424.548	5.654	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Br	780676124	JKNFQFJMEWCKIU-KDOFPFPSSA-N	414.303	5.109	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccccc4C)CCC3)n2)cc1	788355548	WKCXNXQQWPBZQE-LJQANCHMSA-N	402.519	5.425	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	789359193	WWCCGXUHMFLPJY-IBGZPJMESA-N	419.472	5.031	30	20	HKED	
N#CCCn1cc(C(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c2ccccc21	794495423	AIBJIEBFUWSEKY-UHFFFAOYSA-N	418.236	5.032	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc(CC(C)C)c2)cs1	794723883	NBFQYTPMLSEKDE-RAXLEYEMSA-N	418.562	6.231	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)Cc2ccccc2C(F)(F)F)ccc1OC	795802698	JUPPANHJFGDKFN-YJBOKZPZSA-N	406.448	5.116	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	802054132	GNSKWWNEYSZTED-HNAYVOBHSA-N	403.507	5.024	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)C(C)(C)c1cc(F)cc(C#N)c1	803925391	LCNXHFHQYBATEA-HOTGVXAUSA-N	410.489	5.059	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	807467373	PCIDXSGZDKYCGK-HXUWFJFHSA-N	421.928	5.005	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)OC[C@H]4CC[C@@H](C#N)CC4)cc3)o2)c1	809089415	BYHNYMGOBJMQEE-HDICACEKSA-N	401.466	5.199	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809325917	BYJLHEGAQJBWMF-NSHDSACASA-N	403.225	5.400	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cc1	809785744	AGYMYRBYJAPVSW-GOSISDBHSA-N	407.514	5.129	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1cc(C(F)(F)F)ccn1	813214152	TZSXUUQRSMREDI-WVRJYTFGSA-N	416.399	5.858	30	20	HKED	
CCOC(=O)c1ccc(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915124501	MNXSRYJUQFAIES-QFIPXVFZSA-N	415.518	5.328	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)cc1	915353475	NTHOETNMDGMCEY-DQEYMECFSA-N	411.505	5.623	30	20	HKED	
COc1cc(/C=C\C(=O)c2c[nH]c3cc(Cl)ccc23)cc(Br)c1O	920068166	KBDHRSQHVLBQHR-DJWKRKHSSA-N	406.663	5.194	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1	921282791	OIEXEHUMWGCRDQ-FBMGVBCBSA-N	400.453	5.513	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl	1799546719	SKDUUIMDXYPLKT-MUJYYYPQSA-N	423.384	5.238	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1	24729781	CTWHIHQGRDDJOI-HXUWFJFHSA-N	400.507	5.371	30	20	HKED	
CC(C)Oc1ccc(CCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	25891006	SDJLKHIILJYZTB-UHFFFAOYSA-N	416.546	5.469	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1	26053319	NQFDDSASHFHHED-UHFFFAOYSA-N	416.959	5.134	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	56469577	HMQNEYBDCMMPAM-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	60488342	PKQZYWGCRUCJFM-MRXNPFEDSA-N	401.318	5.926	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC3(c4ccccc4)CCC3)c2)cc1	62252007	MUTLFCXFKHTGKN-UHFFFAOYSA-N	411.505	5.533	30	20	HKED	
N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1nc(-c2ccncc2)cs1	195662479	STSJHUAXMAXHMI-MRXNPFEDSA-N	418.547	5.404	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCCC[C@H]1/C=C\c1cccs1	221789338	OVBSZYZGISJOHW-KYFVDPIZSA-N	421.566	5.213	30	20	HKED	
Cc1ccc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1[N+](=O)[O-]	237597278	CCTRCGMKERDAGM-SFHVURJKSA-N	401.466	5.205	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3ccc(-c4ccccc4Cl)s3)CC2)nc1	237666209	XPCXFYQIQITIJX-UHFFFAOYSA-N	408.958	5.094	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@H](Sc2ccccc2F)c2ccccc2)nc2ccccc21	303256748	ADONARTWSXHFCE-UZUQRXQVSA-N	415.493	5.422	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1Cc1ccccc1	303401074	QZYIPCNVVWGEJT-LJQANCHMSA-N	416.546	5.689	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cn2ccnc2)c1	410269823	PQMVVKDVGGDROT-UHFFFAOYSA-N	424.479	5.098	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)CNc2cccc(C#N)c2)nc1-c1ccccc1	426856965	DZRFGPCCAOCSTK-NRFANRHFSA-N	414.509	5.112	30	20	HKED	
CCCNC(=O)c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1Cl	428064127	WRADQSUXZMLHKF-UHFFFAOYSA-N	411.914	5.127	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c(Cl)c1	432306537	MLCVIARLDSIHKJ-QGZVFWFLSA-N	422.685	5.482	30	20	HKED	
COC(=O)c1ccc(-c2nc(CN[C@H](CCCC#N)c3ccccc3)cs2)cc1	433028566	ZYDUBNRSKUSMFA-OAQYLSRUSA-N	405.523	5.121	30	20	HKED	
Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c(Oc2ccccc2)c1	433328363	RQIAQDOMLSMXIM-UHFFFAOYSA-N	423.520	5.249	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2occc2Br)cc1F	433970538	GOQZQJKHRBUIJM-UHFFFAOYSA-N	401.191	5.097	30	20	HKED	
C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)nnc1-c1ccoc1C	436125031	BXTWKBPXIGZQNV-SFHVURJKSA-N	419.909	5.117	30	20	HKED	
C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	437910885	RGVOVYAFHDIXGK-LJQANCHMSA-N	411.505	5.310	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)cc1	438224052	JAKFRVNGVORNMO-JWQCQUIFSA-N	422.488	5.654	30	20	HKED	
CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438635086	KJPCAONZOWNALP-UHFFFAOYSA-N	424.492	5.014	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccccc1	440252330	GAYCBQMFFGDFAO-GHTZIAJQSA-N	407.564	5.512	30	20	HKED	
Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)c1C#N	442076594	XSWWAKRNNLKLAT-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(NC(C)=O)c1C)c1ccc(C(F)(F)F)cc1	442231023	SJKCJZVNVNMVAX-HXUWFJFHSA-N	419.447	5.801	30	20	HKED	
N#Cc1cc(F)c(C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c(F)c1	445808810	CKHUBEBATQSVCQ-HXUWFJFHSA-N	400.787	5.148	30	20	HKED	
C=CCn1c(SCc2nccs2)nc2scc(-c3cccs3)c2c1=O	446973411	RLGDAVGCONIGOJ-UHFFFAOYSA-N	403.579	5.121	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C	448417866	SRABOIKFFYQXDU-UHFFFAOYSA-N	419.485	5.308	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1)c1ccc(F)c(F)c1	460888082	VWYFICVARACFLX-RBUKOAKNSA-N	416.472	5.169	30	20	HKED	
Cc1cc(C)cc(C[C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	461290803	QSMBEDKJEUKGDL-NRFANRHFSA-N	414.553	5.058	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	464061512	IYWMRQVVNMLZEL-UHFFFAOYSA-N	409.505	5.653	30	20	HKED	
C=C(C)C[C@H](C)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC	464546080	FYBYEGNRFPMCTH-KRWDZBQOSA-N	410.514	5.277	30	20	HKED	
C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Cc1cccs1	466133092	MTNOUMFFPHOPNT-GOSISDBHSA-N	419.550	5.393	30	20	HKED	
N#C[C@H](C(=O)c1cc(Oc2ccccc2)ccn1)c1nc2ccccc2n1C(F)F	466983445	GQJWFORILFSROP-MRXNPFEDSA-N	404.376	5.109	30	20	HKED	
Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	468992439	MZASBLBXEVQHAY-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
C[C@@H](OC1CCCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	471190652	IKYSJPJTYNHXCR-LJQANCHMSA-N	406.526	5.398	30	20	HKED	
CC(C)n1nc2c(c1NC(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CCC2	471715624	SMQHPZOUGLUOFI-UHFFFAOYSA-N	404.445	5.008	30	20	HKED	
Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1	472020666	GFJLQKUAOKUVCR-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CC(C)(C)c1cnc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)o1	472380784	HTQHPUKVJSIGEJ-UHFFFAOYSA-N	409.873	5.219	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCCC(=O)N1CCc2ccccc21	475564848	CBDYOSIFJRQIBG-UHFFFAOYSA-N	405.542	5.030	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)o1	481298982	JTZBDQDEPZYLJC-YWZLYKJASA-N	421.476	5.044	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	483489645	GNSJKNWNXLJIEG-HNNXBMFYSA-N	406.392	5.193	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	484567654	OAFFFHCMTIWDPN-KRWDZBQOSA-N	406.507	5.948	30	20	HKED	
N#CCCN(C(=O)c1ccc(Oc2ccccc2)nc1)C12CC3CC(CC(C3)C1)C2	486575343	NBXLIWBINPEKRV-UHFFFAOYSA-N	401.510	5.199	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1cccc2ccccc12	487396745	SDBJQVXXFKCOCB-QZTJIDSGSA-N	403.551	5.381	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OCC2CC2)cc1	497973789	DLTDKGMFGFXPDG-UHFFFAOYSA-N	400.503	5.751	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCC(=O)c1ccccc1	498202826	SSSRFJLALFGGQU-UHFFFAOYSA-N	413.477	5.436	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F	499469221	GXCVZTDAQXZVGC-SNVBAGLBSA-N	418.362	5.715	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CSCc1coc(-c2ccccc2)n1	500318986	BAHLYIMRHBSXLJ-UHFFFAOYSA-N	419.550	5.131	30	20	HKED	
COc1ccc(-c2cncc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c2)cc1	501177749	WQERZESMRGQYFF-UHFFFAOYSA-N	412.474	5.005	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)n1	503459800	JSVGXPUINSYADD-UHFFFAOYSA-N	413.481	5.053	30	20	HKED	
N#C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1ccc(Cl)c(Cl)c1	505989698	BLULFYVKNRFHNK-GOSISDBHSA-N	423.727	5.076	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)N[C@@H](c1c(F)cccc1F)C(F)(F)F	507234761	LBVWXVKQTUQKKI-ZDUSSCGKSA-N	400.681	5.322	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5o4)cc3)o2)c1	509539239	IAIWJEWDFZLYCI-IBGZPJMESA-N	420.428	5.343	30	20	HKED	
CCN(C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1ccc(C#N)cc1	510393195	GDORSRYDDUMUGH-UHFFFAOYSA-N	422.282	5.175	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccco2)cc1	510524614	XXXHJHPQGZNAKF-XMMPIXPASA-N	409.445	5.855	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nc3c(Cl)cccc3n2CC(F)(F)F)cc1	511560330	ODWZSUHFNGKCFG-UHFFFAOYSA-N	420.822	5.305	30	20	HKED	
Cc1ccc(-c2nnc(CN(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)o2)cc1	513429390	FOVLGHRDLJSOIK-UHFFFAOYSA-N	412.468	5.258	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(C(C)(C)C)cs1	517472720	AJFRXJPOIICZDY-KGLIPLIRSA-N	402.589	5.575	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1cccc(O)c1	518811380	QLNWFKIBTXLYRD-QGZVFWFLSA-N	401.466	5.590	30	20	HKED	
COCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	520436684	UGWLQXJPJOWNFG-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C[C@@H](C)c1ccccc1)[C@@H](C)CO	520444377	YDURKRWYUMSRAT-QYZOEREBSA-N	411.571	5.099	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C	520834050	RHZKATPSJBQIKF-HNNXBMFYSA-N	421.488	5.767	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c2ncccc12	521208459	VPNKHTNOWZOILF-UHFFFAOYSA-N	424.451	5.398	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N	521325940	AOOOUOBJQWYVAF-CYBMUJFWSA-N	411.527	5.904	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CC#N)C3CCCC3)cc12	523146651	STCYQDXLCWUQMF-UHFFFAOYSA-N	412.946	5.016	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1	523784685	CPLZEDCXXYPKIM-ICSRJNTNSA-N	408.571	5.214	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(CSc2ccccc2)cc1	524275461	DUNJUXXQICWACL-UHFFFAOYSA-N	403.507	5.309	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc2c1CN(c1ccccn1)C2	535287557	FVNRULWKEKABAG-UHFFFAOYSA-N	416.484	5.393	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)NCc2ccc(F)cc2C#N)cc1OC	537074497	JIXNQSTUTZVKPZ-QHCPKHFHSA-N	404.485	5.097	30	20	HKED	
CN(c1ccccc1)C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1	539759924	QXCSQESRPOPUSF-UHFFFAOYSA-N	411.505	5.092	30	20	HKED	
N#CCCCNC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1	543328192	GJIMLPGPHZRKTE-UHFFFAOYSA-N	415.316	5.151	30	20	HKED	
COc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl	560229558	CVWBYXNOBLEYIQ-CYBMUJFWSA-N	404.278	5.011	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1)c1ccc(C#N)cc1	568568677	ZWABOBXUGWMARK-CYBMUJFWSA-N	411.477	5.115	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@](C)(C#N)C3CCCCC3)c12	574111875	QUCLSQFOVXNWCW-HSZRJFAPSA-N	406.486	5.199	30	20	HKED	
CC(C)(C)[C@H](NC(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccs1	576872821	PQYASEXOADPOPB-JOCHJYFZSA-N	420.538	5.123	30	20	HKED	
COc1ccc(SCCCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	589470170	MAKSDYSEXSTHJS-UHFFFAOYSA-N	419.506	5.265	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1	591108888	ZVFYPCDXERAKRB-UHFFFAOYSA-N	424.953	5.507	30	20	HKED	
Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2	609296619	PNVKPAYQLFTAJY-VWLOTQADSA-N	411.505	5.449	30	20	HKED	
CCCOc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(C)c1	609553860	IQLPZCYLYDCXCU-UHFFFAOYSA-N	407.514	5.167	30	20	HKED	
CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccc(C)cc1)c1cccnc1	609577282	LMNMJDSLZZWPBM-VWLOTQADSA-N	408.505	5.120	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nnc(C(F)F)s2)c1	609725143	HXVJCOMYDXVEPN-UHFFFAOYSA-N	406.801	5.045	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1	609875808	COHABRYXAPCGNQ-UHFFFAOYSA-N	414.852	5.646	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCC[C@H](C(F)(F)F)C1	611829161	KNEKHUURUNNXND-LVEVGFFFSA-N	413.324	5.381	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	619428219	OJKPHSGNVALBSP-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)c2ccccc2c1)c1nccc2ccccc12	645972846	RCQZDYOSUFANPI-LJQANCHMSA-N	401.263	5.641	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)s3)n2)cc1	671757739	VNDIWTWBHXUYAU-GFCCVEGCSA-N	408.426	5.389	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1	673698866	FHADIGAOTWQOFJ-UHFFFAOYSA-N	418.240	5.133	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(-c2ccc(F)cc2)on1	675550247	ODCJVWRJUIFEBZ-QWRGUYRKSA-N	424.316	5.120	30	20	HKED	
CC(C)[C@H](C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1	677298913	BKLDHOSTYJSDBQ-XEZPLFJOSA-N	413.377	5.591	30	20	HKED	
O=C(CCCCCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	681651429	DFVIDBJGZWRQJC-GJZGRUSLSA-N	413.377	5.518	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCn1c2ccccc2c2ccccc21	726754950	WJKCYZLJGJJTBG-UHFFFAOYSA-N	418.500	5.320	30	20	HKED	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727727849	KMYMKJNDRJWEII-PXDATVDWSA-N	421.541	5.364	30	20	HKED	
N#Cc1ccc(SCC(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc1	728676529	VKIXFQRECCMOJR-UHFFFAOYSA-N	400.912	5.171	30	20	HKED	
CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN(C)[C@H](C)CC#N)c1=S	728901996	HCMDNJCHJAVPQA-QGZVFWFLSA-N	410.591	5.334	30	20	HKED	
Cc1cccc(-c2nn(CN(C)[C@@H](C)CC#N)c(=S)n2-c2ccc(Cl)cc2)c1	728904107	LUCNWSUCBFOHTL-INIZCTEOSA-N	411.962	5.224	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(F)c1	732495486	BEHAYYIGZFLHJH-XKOZXHHJSA-N	404.388	5.734	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)o1	732764233	NHURLCXUXLFSIP-KDOFPFPSSA-N	410.543	5.042	30	20	HKED	
Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c(OCC(F)(F)F)c1	733754351	XYZBBVPZQLRFCH-UHFFFAOYSA-N	412.330	5.595	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)s1	734060170	PSFQJUWDXHTMIQ-RTBURBONSA-N	409.942	6.330	30	20	HKED	
Cc1ccc(-c2ncc(/C=C\C(=O)c3ccc(OCc4nccn4C)cc3)s2)cc1	734304359	HSDHQYWDDNFPOE-QXMHVHEDSA-N	415.518	5.327	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1	740435234	MLBVDWYFFYUSOM-RPWUZVMVSA-N	413.477	5.154	30	20	HKED	
C/C(=C/C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1	742699322	SCJHVRBYUHDWLC-KAMYIIQDSA-N	424.426	5.422	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)ccc1OC	749390524	PPOAUVGSEBUWIU-DENIHFKCSA-N	414.933	5.086	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1cccc(Cl)c1	750681920	SEVRWQICDPDFLR-CKDIWJPDSA-N	423.925	5.209	30	20	HKED	
CC(C)(C(=O)OCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2ccccc2)cc1	751923848	ULAKTLHKACCAKY-UHFFFAOYSA-N	423.472	5.296	30	20	HKED	
C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1ccccc1	753063925	YRWWRLNAYWXLRM-UHFFFAOYSA-N	410.568	5.197	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1OC(F)F	753399050	DERAWNKOSLOAPV-GWKQRERASA-N	410.445	5.691	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C/SCc3ccco3)c2)cc1	754222952	CVKOHMKFOHYJRA-SDNWHVSQSA-N	404.491	5.310	30	20	HKED	
CCOc1ccccc1-c1nnc(SCC#Cc2ccc(C(F)(F)F)cc2)o1	754270244	GYTROEXAPUMTRA-UHFFFAOYSA-N	404.413	5.298	30	20	HKED	
O=C(/C=C/c1ccc(F)c(Cl)c1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1	761481217	WMROGVDBHMEKIE-XBXARRHUSA-N	423.239	5.067	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1OCC#N	761673534	JBVHQOURXGNYSQ-INIZCTEOSA-N	409.486	5.585	30	20	HKED	
COc1c(Cl)cc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1Cl	770553022	PKSLHZILNRYNFE-UHFFFAOYSA-N	401.297	5.391	30	20	HKED	
N#CCCCOc1cccc(/C=C/C(=O)c2ccc(OC[C@H]3CCCCO3)c(F)c2)c1	771098273	MUUXMEVVEIDNFX-XBFAEUMISA-N	423.484	5.352	30	20	HKED	
CC(C)(C=NNc1ccc(OCC(F)(F)F)cc1)[C@@H](C[N+](=O)[O-])c1ccccc1	771100971	PCWACGHAJHALJX-SFHVURJKSA-N	409.408	5.112	30	20	HKED	
Cc1ccc(-c2noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)c(O)n1	771135066	RJLLGXYGVKLPLA-UHFFFAOYSA-N	404.813	5.130	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccccc2OC)C2CCCC2)ccc1OC	774450868	VLGYWVWEOYJJMZ-CJFMBICVSA-N	408.542	5.406	30	20	HKED	
C#CC[C@@H](NCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1	775399282	QTVZLVWNOYJAAE-JOCHJYFZSA-N	403.551	5.299	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)OCc3ccc(C4(C#N)CC4)cc3)c2c1C	777344900	BRIMFCNRKPYJEI-UHFFFAOYSA-N	423.563	5.089	30	20	HKED	
N#CCOc1ccc(CN[C@H](c2ccccc2)c2ccccc2Br)cc1	779093094	KVJHVUOIDLQZEV-JOCHJYFZSA-N	407.311	5.231	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	779594891	AIJRIWXQTKJJQW-QGZVFWFLSA-N	401.441	5.179	30	20	HKED	
Cc1ccc(Oc2ccc(OCC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)cc1	780151602	NEKWOUFSGJLLFW-GOSISDBHSA-N	402.450	5.096	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnc(Br)c(Cl)c1	790289224	CGTLDISHODKFFQ-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccc(F)cc1OCC#N	797465607	BGUSVHCHCAFVCU-UHFFFAOYSA-N	420.227	5.251	30	20	HKED	
CC1=C(Br)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	797614305	YZBWTIFUCLMZAC-IBGZPJMESA-N	410.315	5.249	30	20	HKED	
CC(C)Cn1ncc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C1CC1	806816786	MMRLDZAYEUIFJL-UHFFFAOYSA-N	419.554	5.338	30	20	HKED	
CC(=O)c1ccc(C#N)c(NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c1	808099855	IYTNNRMQJPOBEX-UHFFFAOYSA-N	405.498	5.061	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(F)cc1F	814847773	CPUALTANZCEMHJ-UHFFFAOYSA-N	407.346	5.062	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(CC)cc1	839384749	IJPHODIVZKFWNX-UHFFFAOYSA-O	401.555	5.190	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4SCC#N)cc3)sc2c1	864908989	NNVYKIDFYKHCNF-UHFFFAOYSA-N	415.543	6.140	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1C#N	904614830	MLXXXYVGUPMAMZ-UHFFFAOYSA-N	417.538	5.260	30	20	HKED	
Cc1cc(C)n(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	915102972	MFHSWXKKCWMYSQ-HNNXBMFYSA-N	419.337	5.197	30	20	HKED	
C=CCOc1cccc(/C=C(\Cl)c2nc(O)c3ccc(C(F)(F)F)cc3n2)c1	916128376	ZGEMQDWCABGZOW-YBEGLDIGSA-N	406.791	5.656	30	20	HKED	
C[C@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)csc2C1	916884450	XWMBTVMCDLVRTC-XHDPSFHLSA-N	420.506	5.149	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(C)o3)n2)cc1	916915909	RRLCVJXGRJMIBX-QGZVFWFLSA-N	407.495	5.015	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccccc2)n1	916944618	JGWXCHVJMNAZAN-HNNXBMFYSA-N	416.289	5.078	30	20	HKED	
CCOc1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1	916954488	IIFARWLCGLOPFI-IIBYNOLFSA-N	410.539	5.038	30	20	HKED	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917040706	NKJIARUSXKKEOX-IHSNIMORSA-N	403.473	5.085	30	20	HKED	
N#C[C@H](C(=O)Cc1c(F)cccc1Cl)c1nc(-c2c(F)cccc2F)cs1	920804310	PCSKJWWXONTCCA-LLVKDONJSA-N	406.816	5.300	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1	920880027	TXFQWQBTYLONTF-SFHVURJKSA-N	424.497	5.262	30	20	HKED	
N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)CCc2ccc(O)nc2)cc1	1142402667	SWNHWNVDHUJXQG-UHFFFAOYSA-N	409.898	5.035	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)oc2ccccc12	1788965999	GGHMDBCKNCYEQR-UHFFFAOYSA-N	415.493	5.039	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)s1	7333340	WCKTULWBUCMIEQ-CMDGGOBGSA-N	411.866	5.248	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)Nc1cccc(Br)c1	16942686	WXFZWLRJZGFFSK-UHFFFAOYSA-N	401.782	5.549	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5[nH]4)cc3)o2)c1	41494634	PTTYYJQNAQYOSA-IBGZPJMESA-N	419.444	5.078	30	20	HKED	
CCOc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC	54034606	JPWUWPUQKUDGKD-UHFFFAOYSA-N	418.518	5.510	30	20	HKED	
CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c2cnn(C(C)C)c2n1	60776423	BYVLWDBGDSJYGY-AWEZNQCLSA-N	421.570	5.446	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1	108370023	KUAQPFBAXQQSHQ-FGZHOGPDSA-N	416.908	5.727	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(N2CCOC2=O)c1	208087554	SRBDZATXLPOZQR-NTMALXAHSA-N	420.446	5.176	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccc(Cl)s3)s2)cc1	217765284	GXYKDAPKDIHYPN-SOFGYWHQSA-N	418.956	5.069	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)c2)cc1	303224288	WGAGKLVNXULXOX-UHFFFAOYSA-N	421.500	5.852	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n(CC(C)C)c1C	303316092	SENIDOCOCBODNN-HNNXBMFYSA-N	416.616	5.139	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1	303358002	PGGKTJVSABIENH-ZDUSSCGKSA-N	418.444	5.762	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc1OC	409495334	MISLGWWRMXDPFC-UHFFFAOYSA-N	416.477	5.073	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	410195488	ZEVWOLDKMUTMPK-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	428652830	UCYQWFRWSLPJKA-UHFFFAOYSA-N	418.566	5.666	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1	432061240	ICKOCCCYSPYEHS-UHFFFAOYSA-N	404.514	5.169	30	20	HKED	
Cc1c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cnn1-c1ccccc1F	435338908	LHRMMLGMWXBNEQ-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
CC(C)(C#N)CCCCSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1	436199141	SFROULZRIFNPSQ-UHFFFAOYSA-N	402.523	5.070	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C2CC2)cc1	438403851	OAWAWJTUOBQGEQ-KESTWPANSA-N	413.443	5.197	30	20	HKED	
CCCc1c(NC(=O)Nc2ccc(OCC)cc2C)cnn1-c1cccc(C#N)c1	439221770	IHAUUJQDUQBCPA-UHFFFAOYSA-N	403.486	5.048	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1	439313607	HOQFRDQBAUEMQE-RTBURBONSA-N	413.905	5.064	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439319260	RXRAVHDZTSYNRV-QFIPXVFZSA-N	412.493	5.414	30	20	HKED	
N#Cc1cc(N(C#N)CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)ccc1F	439713537	ZPPIMJPRXPHCFV-UHFFFAOYSA-N	420.831	5.069	30	20	HKED	
CCc1noc(CC)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	445792936	GERDEQWPHZUKFB-UHFFFAOYSA-N	423.900	5.085	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1	463686838	PHMVDMJOPWVSSL-UHFFFAOYSA-N	413.525	5.201	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	471156470	KYBMTYMXLJWHTH-UHFFFAOYSA-N	402.498	5.257	30	20	HKED	
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	474969017	PQMQKOREPHQVQW-WOIUINJBSA-N	417.553	5.139	30	20	HKED	
Cc1nc(CC2CC2)oc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	475341984	GQZGOBCAWPWTGY-IBGZPJMESA-N	405.885	5.497	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1noc(C)n1)c1ccccc1OC	475570121	RUUOKRWOXJHOHW-QFIPXVFZSA-N	420.513	5.150	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1	475572781	ZKQLOQVTITVOEB-UHFFFAOYSA-N	407.558	5.917	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccccc1SC[C@H](C)C#N	476361389	AEWKKDQOPMOZRS-CVEARBPZSA-N	401.963	5.223	30	20	HKED	
Cc1occc1-c1nnc(SCc2ccc(C#N)c(F)c2)n1Cc1ccccc1	478540720	UCZRARUALTXEBZ-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)sc1SCC#N	479525399	UUJZBFOVPXKKKN-UHFFFAOYSA-N	422.560	5.342	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1	480391151	UYXRKCFZEBQJAB-OAQYLSRUSA-N	413.468	5.030	30	20	HKED	
Cc1cnc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)s1	482039013	LGGKALSHGFMWKF-UHFFFAOYSA-N	412.540	5.042	30	20	HKED	
Cc1cc(-c2noc([C@H](C)NC3CCC(C#N)(c4ccccc4)CC3)n2)ccc1F	483657302	SJOPBZVYQRZWBJ-QWMSRCPPSA-N	404.489	5.239	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1ccccc1	487350740	FDLBOAPFNDQZIE-HSZRJFAPSA-N	422.532	5.509	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](CCCC#N)c1ccccc1	487506866	WLVGNGWPVVNRQW-HXUWFJFHSA-N	407.514	5.346	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccncc1	489428934	CZWRWOQHKFEZTE-RNXZQOMOSA-N	422.598	5.182	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC1CCCC1	491922343	UGEJNEHNHZVWSQ-UHFFFAOYSA-N	407.514	5.139	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cnn1CC(C)C	501350564	DIJABBIFSPRBSF-UHFFFAOYSA-N	408.889	5.417	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(Cl)c(Cl)c1	505927977	GTLDMHVCCWVMSF-KRWDZBQOSA-N	420.296	5.180	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)Cc1cccs1	506008928	GAGAMWGIBLKFPQ-UHFFFAOYSA-N	417.987	5.731	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)ccc2Br)cc1	507937980	NHXKXDPFMGXHQL-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
Cc1nc(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)sc1SCC#N	509069474	KPROIIXUDAJZJM-UHFFFAOYSA-N	416.531	5.535	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1	509301217	AXVVCCHNVYTNEB-UHFFFAOYSA-N	413.449	5.047	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)CC1	509370468	DYDUJQALAYUQRI-UHFFFAOYSA-N	421.928	5.140	30	20	HKED	
Cc1ccccc1C[C@H]1CCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	514174044	JELDKTYKMGHOKU-TZIWHRDSSA-N	407.583	5.035	30	20	HKED	
CSCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	518334863	KHOYCPHUWRFBQD-UHFFFAOYSA-N	419.525	5.795	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	518719849	KAKZXMLJWOQSFG-KRWDZBQOSA-N	400.444	5.067	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NCC3(Sc4ccccc4)CC3)s2)cc1	520265512	GZHSYTXJBSYNHT-UHFFFAOYSA-N	420.563	5.052	30	20	HKED	
N#CCCN(C(=O)c1ccc(Oc2ccccc2)cn1)C12CC3CC(CC(C3)C1)C2	520493578	TUWULNJMCUROSM-UHFFFAOYSA-N	401.510	5.199	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3cncnc3)cc2)cc1	522930595	BYQRPZJMCZJKFD-UHFFFAOYSA-N	422.513	5.560	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2cccs2)C2CC2)cc1	523526079	CFMAIOXNFRKAQE-HSZRJFAPSA-N	419.525	5.622	30	20	HKED	
CCCN1Cc2cccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2C1	523743651	ZLRHBYLCDAHXJL-UHFFFAOYSA-N	411.505	5.115	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)[nH]c12	524034986	KEJOBXNKERLJDM-MRXNPFEDSA-N	422.510	5.408	30	20	HKED	
COCCc1nc2cc(NCc3cccc(OCc4ccccc4C#N)c3)ccc2o1	531479558	ZLCKOQNRJWYALD-UHFFFAOYSA-N	413.477	5.079	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccco1)c1ccccc1	533507996	KPCPSBBSNWBAMB-GOSISDBHSA-N	405.523	5.319	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)s2)cs1	535060784	IGUHSZQQQWSUFH-UHFFFAOYSA-N	420.563	5.051	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1	536278926	BSDQOONBWZTPIY-YJBOKZPZSA-N	415.946	5.277	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	536441968	LKSAWOGDMUPKIP-PKOBYXMFSA-N	408.910	5.457	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1)c1ccncn1	544816116	WYDUQBPGXNXZJD-INIZCTEOSA-N	400.290	5.425	30	20	HKED	
COc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	553007660	JUYLDDNOXWDNOI-UHFFFAOYSA-N	414.836	5.625	30	20	HKED	
Cc1ncc(-c2ccccc2)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	556313310	DPCPCEZLGXZMQN-UHFFFAOYSA-N	412.493	5.004	30	20	HKED	
C[C@H]1C[C@H](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](C)O1	558889601	QUATXILJAVBTCI-RMFSNUHRSA-N	408.567	5.174	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NCc2c(F)cc(C#N)cc2F)cc1Cl	559997351	SNAOAZVZOWOUFT-CYBMUJFWSA-N	403.860	5.117	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)CC2)c(F)c1	560767749	AXLQFAYHLBNJLN-GOTSBHOMSA-N	414.480	5.024	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1	567033816	YLPPZTGRNNSHTM-QHCPKHFHSA-N	418.566	5.661	30	20	HKED	
CC(C)(C(=O)N1CCC(CC#N)CC1)c1csc(-c2c(Cl)cccc2Cl)n1	569483950	FAXSRJPITBZCLV-UHFFFAOYSA-N	422.381	5.547	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	571410969	MQNJWHDYFJKZDU-UXHICEINSA-N	405.464	5.191	30	20	HKED	
CC[C@H](NCc1ccc(Oc2c(OC)cccc2OC)nc1)c1ccc(C#N)cc1	571746047	QQIKPICBYQDTNN-FQEVSTJZSA-N	403.482	5.004	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)s2)cc1	577717618	AWXXPDZITGCGSJ-HNNXBMFYSA-N	417.412	5.031	30	20	HKED	
CCc1ccc(N(C(=O)Cc2c(F)cccc2C#N)c2nc3ccccc3s2)cc1	581331158	FSYVWJARPHXBQP-UHFFFAOYSA-N	415.493	5.777	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](OC(C)C)c1ccccc1	582713979	ALTOZXNWTPARHV-RUZDIDTESA-N	414.505	5.551	30	20	HKED	
CN(Cc1nc(C#N)cs1)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	589495401	XDDUVGANKFDRMK-UHFFFAOYSA-N	419.941	5.153	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1	589572193	JUEKHQZCTCDCRM-HOTGVXAUSA-N	420.900	5.077	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Oc1ccccc1F	603533946	OUXSGDHMXMZRAY-KRWDZBQOSA-N	406.432	5.146	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nnc1-c1ccccc1F	607757674	UGXXUMMLTXMXNG-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
FC(F)(F)COc1ccccc1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608493129	CIZQYIPZFVOKAZ-VXGBXAGGSA-N	409.292	5.190	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	608801783	QIJHXNWCGBJBMM-UHFFFAOYSA-N	424.456	5.562	30	20	HKED	
N#Cc1cccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)c1	608803490	KBVITIQVKNNBOZ-UHFFFAOYSA-N	416.864	5.467	30	20	HKED	
CCn1nc(C)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	608994804	VFDSOSFVZXVOIR-FQEVSTJZSA-N	421.932	5.150	30	20	HKED	
N#CCn1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc2ccccc21	609164729	CPSQGROXXROZOC-UHFFFAOYSA-N	422.463	5.018	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3nc4ccccc4s3)c2)cc1	609208707	GTQQXYQRXMTMLT-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	609377149	PGKWHLPVCXDXAW-HNNXBMFYSA-N	420.513	5.004	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCN1CC1CCCCC1	609452153	USDAMLCYJLJBJP-ICSRJNTNSA-N	414.619	5.105	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccccc2Br)oc2ccc(Cl)cc12	609591993	ABRJYONFTCFDGN-OAHLLOKOSA-N	403.663	5.152	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12	615080576	JPIJRAZPIBTDCQ-UHFFFAOYSA-N	413.477	5.035	30	20	HKED	
Cc1ccc(Cc2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1	678173720	ZOJQRJZTFOWYKI-OAHLLOKOSA-N	407.495	5.281	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	684121459	SAWHKPZEADBRIO-RYUDHWBXSA-N	403.313	5.192	30	20	HKED	
Cc1nc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc2o1	684631957	ZYSWGKTZVDUBHU-LBPRGKRZSA-N	401.369	5.255	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc(Cl)cc2)c2ccccc2)cc1Cl	726477892	ZOHHUTJSOQHXQD-UHFFFAOYSA-N	412.345	6.269	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1	726941597	GGVCWYINWAKYIZ-UHFFFAOYSA-N	423.520	5.548	30	20	HKED	
CC(C)(C)OC(=O)NC1(c2nc(-c3cn(CCC#N)c4ccccc34)cs2)CCC1	727756957	AIPZYSUPZMNAST-UHFFFAOYSA-N	422.554	5.582	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	732495639	DZONEKFNZCFYNS-YVEFUNNKSA-N	407.322	5.069	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1	733080856	DFYLGPIGTSBKND-HJWRWDBZSA-N	415.268	5.377	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccncc1	734459490	KZHMYSYULNPRHZ-LJQANCHMSA-N	422.941	5.491	30	20	HKED	
N#CCCCCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	735551857	BTDCXECFCFWZBP-UHFFFAOYSA-N	406.269	5.488	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N3CCCSC3=Nc3ccccc3)s2)cc1	744350452	GTWZQVOIIMCNKO-UHFFFAOYSA-N	409.536	5.086	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C	744857800	YSNLIELTMVLFPW-QGZVFWFLSA-N	407.514	5.164	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)c1cccc(F)c1	746126345	WZYIMLBMOYYDOW-SBUREZEXSA-N	400.453	5.329	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1OC	748097754	QTHLDNPDBUPZTJ-AWEZNQCLSA-N	415.877	5.217	30	20	HKED	
COc1ccc(-c2nc(S[C@H]3CCc4c(Cl)cccc43)nc(O)c2C#N)cc1	751769453	PDGXUWDIISDTPM-SFHVURJKSA-N	409.898	5.162	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)c1	752638414	FELQRWKDZGMPGO-UHFFFAOYSA-N	418.324	5.382	30	20	HKED	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c2c1	764306327	RUPGCUCNRWUTGN-UHFFFAOYSA-N	420.856	5.415	30	20	HKED	
C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC(OCCC(C)C)CC2)c1=S	764903618	WDOBVUFPFQVLPH-UHFFFAOYSA-N	414.619	5.060	30	20	HKED	
Cc1cc(Cl)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	766257955	SGIBCGYRVWSSAS-LJQANCHMSA-N	404.853	5.402	30	20	HKED	
COc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1F	771247216	KDNWBYFGBLTNBZ-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	772236765	ISUCSKKASOGTID-NBGIEHNGSA-N	413.521	5.147	30	20	HKED	
C=C(C)[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(F)c(F)c1	775557741	JSEUSOMQQVXOCT-IVZQSRNASA-N	406.904	5.423	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(F)cc2F)CCC1)c1nc2ccccc2n1C(F)F	777303826	HDUHRTXLBAYDCR-CYBMUJFWSA-N	401.363	5.008	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccc(C#N)c(Cl)c3)ccc21	777648232	OFFRMTIJEGOWQO-UHFFFAOYSA-N	411.889	5.152	30	20	HKED	
C=CCC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1)c1ccccc1	778559285	NBOUZGDROKPBNF-QFIPXVFZSA-N	420.534	5.621	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)n1	781034180	IFCXTKJXJAISPQ-HNNXBMFYSA-N	409.536	5.287	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1ccccc1O[C@H](C)C#N	781849855	NECPSNKKFUGKQB-LLVKDONJSA-N	416.264	5.500	30	20	HKED	
CN(C(=O)Cc1ccccc1CC#N)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783531580	JJKBGSQUOZJBLK-SFHVURJKSA-N	414.349	5.076	30	20	HKED	
N#C[C@H](C(=O)C(F)(F)Cc1ccccc1)c1nc(-c2c(F)cccc2F)cs1	796669013	CBEPFWKBIZERNJ-CYBMUJFWSA-N	404.388	5.143	30	20	HKED	
CC(C)(C)OC(=O)N1CCC(CCC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CC1	797567993	NEDNPWMRCOTTRM-MRXNPFEDSA-N	419.591	5.044	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](Nc1c(C#N)cnc3c(Br)cccc13)CCC2	799323192	TZIQSXLLWXDSAB-QGZVFWFLSA-N	410.319	5.136	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1cc(Br)cc(Br)c1	808402010	BSUNMIIWRUQDBP-NSHDSACASA-N	410.109	5.115	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1	810158777	TZHWPSNUWBKQAW-RUZDIDTESA-N	411.505	5.492	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)cc2)ccn1	810822993	FBZOIYOLUUXVDZ-DEOSSOPVSA-N	413.477	5.385	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCCC[C@H]3[C@H]3CCOC3)nn2)c1	814926784	JYLULKFBUZDFPH-RDJZCZTQSA-N	404.436	5.157	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	864236471	LTRHWOMGOOOTKW-UHFFFAOYSA-N	415.543	5.755	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(SC(F)F)cc3)s2)cc1	875072305	UPRSJVXDTXJQEM-UHFFFAOYSA-N	401.463	5.173	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)n1	915099220	MNDXQYDTGQZSMW-INIZCTEOSA-N	421.572	5.844	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4cc(C)ccc4O)c23)cc1	916357318	KORLNSYLLZEUNW-UHFFFAOYSA-N	404.495	5.217	30	20	HKED	
Cc1cc(C)cc(OCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916976477	PIBHQJDSOXGNQZ-IBGZPJMESA-N	410.926	5.726	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SC(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916977243	NOOHYSOWYZYAHN-HNNXBMFYSA-N	420.893	6.268	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1	1786104204	ARKHSPARNHISAO-UHFFFAOYSA-N	406.526	5.033	30	20	HKED	
C=CC(=O)Nc1ccc(CC(=O)N(CCCCCCC)CCCCCCC)cc1	2088602498	IISXNYMNKLANMP-UHFFFAOYSA-N	400.607	6.123	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc(C#N)c1)C(=O)c1ccccc1	14179965	OHVXEJGXVCJSAP-JJIBRWJFSA-N	408.501	5.588	30	20	HKED	
C=CCn1c(SCc2cc(F)cc3cccnc23)nc2sc(C)c(C)c2c1=O	31612743	PRHSDDJGWYXYLU-UHFFFAOYSA-N	411.527	5.240	30	20	HKED	
C=CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	41512663	ULBQXVUNNGVFSD-GOSISDBHSA-N	404.491	5.182	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1	54538070	KFRFKESSKIOMFO-GOSISDBHSA-N	406.511	5.324	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	58560087	RLTMCRYNNYBNGZ-GOSISDBHSA-N	403.404	5.177	30	20	HKED	
C=CCN(C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)c1ccccc1	58642289	RYBJKJPHBWSVAW-UHFFFAOYSA-N	403.478	5.116	30	20	HKED	
CC(C)(C)c1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	63236008	MFMRGRBQSQVLEK-JTQLQIEISA-N	409.458	5.559	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)Nc1ccccc1SCCC#N)O[C@H](C)C2	209928578	BQGWIOUFHHYUSB-ZBTGYSDGSA-N	408.523	5.066	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C[C@H]3C(=O)Nc4ccccc43)cc2Cl)cc1	216497767	AGSLMBOSGYLPJD-GOSISDBHSA-N	417.852	5.068	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@H](C)c1cccnc1	303715403	QNZRSTBJGZKRAY-GOSISDBHSA-N	400.482	5.669	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1OC	430607890	ZSHWLDVKWSLSJW-CYBMUJFWSA-N	406.935	5.381	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1	435970388	WNGDNLKLLUDMDB-PZUNEJSGSA-N	410.542	5.309	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cc1	437914522	JWGJXDTYXOZURO-UHFFFAOYSA-N	403.526	5.399	30	20	HKED	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438648488	JWYHDDJIRHMHGU-UHFFFAOYSA-N	420.400	5.062	30	20	HKED	
Cc1cnc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)s1	438667318	BPRXWKQTEMPWKR-FQEVSTJZSA-N	422.485	5.527	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1C(F)(F)F	443887129	VILSWHLCMGLXBC-UHFFFAOYSA-N	419.790	5.457	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)n1	444456967	HSQCUVRNAZQOLY-CYBMUJFWSA-N	420.412	5.915	30	20	HKED	
N#Cc1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1Cl	444835735	KVDMVLBKLPJXMH-UHFFFAOYSA-N	423.822	5.058	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	461309724	PMDOBLKHAFHAHI-AOMKIAJQSA-N	404.441	5.093	30	20	HKED	
CC(C)(CNCc1cn(CCC#N)nc1-c1ccccc1)c1c(F)cccc1Cl	462733827	KVTQURJNHXGLCM-UHFFFAOYSA-N	410.924	5.324	30	20	HKED	
CCOc1c(F)cccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	463484674	NPIQLHSIUUKJHQ-UHFFFAOYSA-N	404.441	5.236	30	20	HKED	
CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464462530	AEQXQGJAMIFITB-AWEZNQCLSA-N	418.806	5.196	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(Cl)c1F	466759389	VWGPYMQECDSFDC-CYBMUJFWSA-N	408.951	5.745	30	20	HKED	
CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469971558	HLVNPFKZKGPNQD-UHFFFAOYSA-N	417.553	5.138	30	20	HKED	
Cc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1Br	470044148	RHSMWMMLGZHXGL-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CCOc1ccc(C#N)cc1N[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	471384476	ZFNOVDBRLNYWIA-NSHDSACASA-N	403.269	5.487	30	20	HKED	
N#CCc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	474276924	RGRMFLQRSNBCFP-INIZCTEOSA-N	400.322	5.195	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	475763900	UZLCUJYURYHZFV-MRXNPFEDSA-N	417.456	5.737	30	20	HKED	
CC(C)(C#N)CCC[S@](=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	476898732	ASSJGHNEGAXANX-SANMLTNESA-N	400.491	5.408	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2cn(CCCC#N)c3ccccc23)cs1	477691840	HMZVUUOBVAOIQA-UHFFFAOYSA-N	400.507	5.629	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1	480006879	QIAGOVGHWUHKCN-SFTDATJTSA-N	401.535	5.339	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C)c1Br	481393482	RQPGBQCTRFNYSX-UHFFFAOYSA-N	405.340	5.145	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1C	481395807	DNGJHSRHOMLPGB-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
N#Cc1cc(N[C@H]2CCCC(F)(F)C2)cc(N[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-]	486878999	KWCACQMIDRSMAU-KBPBESRZSA-N	414.403	5.446	30	20	HKED	
C=CCc1cc(CNC(=O)N(C)Cc2c(Cl)cccc2Cl)cc(OC)c1OC	497840325	AQAVYVMEKYFUAD-UHFFFAOYSA-N	423.340	5.081	30	20	HKED	
CCOc1ccc(C#N)cc1NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1	500978547	UFVPMIVOTPRXHW-UHFFFAOYSA-N	406.511	5.019	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccccc3COc3ccccc3)CC2)cc1	503606695	CJWILBGJGYSNFQ-UHFFFAOYSA-N	409.489	5.458	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	505324542	HTLQTTMWPVQIAR-DUXKGJEZSA-N	403.551	5.933	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1	505982900	XAUFGSAWDYSTEB-QGZVFWFLSA-N	424.715	5.236	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3cccs3)C3CC3)c2)cc1	509912168	OMOMSWTZULCHQM-HSZRJFAPSA-N	417.534	5.666	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccc(NC(=O)Cc2ccccc2F)c1	512662493	XVUPHMASNFFLFV-DLBZAZTESA-N	419.475	5.429	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccncc2)cs1	512964713	UIDQJJGFTBJAIU-SFHVURJKSA-N	419.437	5.006	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c1	513200184	HJEFNBFFFBYYBX-INIZCTEOSA-N	403.507	5.512	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCO[C@H](C(C)C)C1	514120275	HJSPPKMCKJEQSH-URXFXBBRSA-N	408.517	5.380	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	516270689	NYWPTYHAJNLGDF-GOSISDBHSA-N	410.458	5.135	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1c(F)cccc1F	517450971	STNIDSFXOPYMHN-UONOGXRCSA-N	406.523	5.649	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519052822	JHJOCVZAZUGCOG-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(F)c(F)c1	520835529	OPVZOAAAPYJYAE-UHFFFAOYSA-N	404.335	5.381	30	20	HKED	
C=CCCCN(C)C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	524067204	DMOSKEZNTWDDKN-CYVLTUHYSA-N	406.551	5.660	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CSc2ccc(C#N)cc2F)cs1	525116510	ZJVQLKGBPIILPL-UHFFFAOYSA-N	401.463	5.270	30	20	HKED	
Cc1sc(NC(=O)c2ccc(CC#N)cc2)nc1-c1ccc(Br)cc1	533972551	BJVDCGGNGGARTF-UHFFFAOYSA-N	412.312	5.199	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1C(F)F	534853816	NCBQBJAOQFKUPE-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cc1	540128811	RYHFOXDPDKLOMY-UHFFFAOYSA-N	424.460	5.573	30	20	HKED	
Cc1cc(-c2nc(C3CC3)no2)ccc1NCc1cn(CCC#N)nc1-c1ccccc1	544369564	APYNXSWWBNVEFE-UHFFFAOYSA-N	424.508	5.312	30	20	HKED	
CC[C@H](CC#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1	546586844	OSWGHADVEUSRLS-MRXNPFEDSA-N	403.345	5.163	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C(F)(F)F)C1	552186704	QSAAJXZDMYTCJM-RAIGVLPGSA-N	421.303	5.794	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(OC)cc1	558448203	RWCFHJLCDUXOFR-UWJYYQICSA-N	422.504	5.093	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C	564691524	ZDGXAAYQPKCYCS-DEOSSOPVSA-N	412.493	5.731	30	20	HKED	
COc1cc(OC)c2ncc(C#N)c(N[C@@H](C)c3nc4ccccc4n3C(F)F)c2c1	571072909	MYLLVONBSBFIJH-LBPRGKRZSA-N	423.423	5.042	30	20	HKED	
C[C@@H](C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)c1cccc([N+](=O)[O-])c1	571238806	MJGJRPDNICKNCA-CYBMUJFWSA-N	403.463	5.036	30	20	HKED	
CCO[C@H](c1noc(CC(C)(C)C(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F	573364475	RLAODYLQTIYLRN-ZDUSSCGKSA-N	414.321	5.484	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	588154816	SSEIXMKBWQCKSW-UHFFFAOYSA-N	409.917	5.232	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)CCCCCC#N	588381756	SOPCWMUFDRAXNP-UHFFFAOYSA-N	406.505	6.144	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1	588996150	YKUDMCWBCXFKRY-RDTXWAMCSA-N	403.935	5.243	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)c1	589739129	JBADWEMHSHCIBF-UHFFFAOYSA-N	419.481	5.159	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	590479540	JYVLQURXVLYOSM-UHFFFAOYSA-N	416.452	5.186	30	20	HKED	
Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603763843	IJPWVFPFQYWNHK-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
COc1cc2nc(NC(=O)c3ccccc3-c3ccccc3C#N)sc2cc1OC	604469127	IPKKCAUVSQRBEF-UHFFFAOYSA-N	415.474	5.104	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCCOc3ccccc3Cl)cn2)cc1	604517540	MJFKUQNIBFMHDY-UHFFFAOYSA-N	407.857	5.197	30	20	HKED	
CC[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1c(C)noc1C	609062473	RHSLOGCIKVNSEE-IBGZPJMESA-N	423.900	5.528	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609065058	TXGADLBONZXQEW-UHFFFAOYSA-N	404.441	5.072	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609070741	JRRASRFCDGIORI-UHFFFAOYSA-N	402.475	5.217	30	20	HKED	
COC(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	609163871	BDXWJRDSKDFIBQ-MRXNPFEDSA-N	410.882	5.096	30	20	HKED	
C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cc(Cl)ccc1F	609222092	QZYTVADHOOYVQI-CQSZACIVSA-N	409.848	5.582	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1	609724308	IWCHTXJFBDOPPR-UHFFFAOYSA-N	424.928	5.568	30	20	HKED	
Cc1nc([C@@H]2CCCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1	609975752	SBFYCROONGNLDG-IBGZPJMESA-N	422.872	5.063	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(OCCC(C)C)cc2)c1C	610054109	QYKLTYWYVTTYHZ-UHFFFAOYSA-N	402.498	5.038	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	610219091	VDZJZJZKJMBMFO-NSHDSACASA-N	401.463	5.079	30	20	HKED	
Cc1sc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(C)c1C	610219322	JJJLQCRJOSLJBZ-UHFFFAOYSA-N	423.563	5.420	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(OCC2CCCCC2)CC1	610281246	NCMNNVMFXREDDE-UHFFFAOYSA-N	415.484	5.274	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N(C2CCCCC2)C2CC2)cc1	610817404	PSABFXMKHSZKLL-UHFFFAOYSA-N	403.526	5.661	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1cccc(C#N)c1C	610907307	MZJPXGWUWUMRJV-UHFFFAOYSA-N	401.413	5.570	30	20	HKED	
COc1cc([C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)ccc1OCc1ccncc1	613414580	USFLIMWDZTWGEJ-QGZVFWFLSA-N	416.525	5.406	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	616089781	GAMDNFDVYWFAPR-WOPDTQHZSA-N	414.365	5.438	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1Br	618623663	MBQHTENJXUMBAO-UHFFFAOYSA-N	416.275	5.144	30	20	HKED	
CCC(CC)N(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCCc2cccnc21	619752080	SBZAVZPABWNMTK-JOCHJYFZSA-N	400.526	5.268	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1cc(C(F)(F)F)ccn1	643779411	XGDDNRDTRMIEFG-SECBINFHSA-N	415.223	6.112	30	20	HKED	
CCc1cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	672773217	QUOMFBFZUQSQAL-PJXYFTJBSA-N	400.338	5.419	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3C)o2)cc1	727268220	KRMUQDBTWDKEJB-SFHVURJKSA-N	420.538	5.089	30	20	HKED	
COc1ccccc1/C(C)=C/C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	727307936	XRVFNKUYYWSKNM-HTXNQAPBSA-N	412.489	5.382	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	730689724	KJASNGCXEDYUDC-FZMZJTMJSA-N	422.262	5.793	30	20	HKED	
CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	733620869	FCNPKQAFPSHSQA-RUZDIDTESA-N	415.512	5.968	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	733845855	ZYMBJECGRROJNV-AEFFLSMTSA-N	408.527	5.084	30	20	HKED	
Cc1c(C#N)c(NC(=O)CS[C@@H](C)c2cccs2)n(Cc2ccccc2)c1C	737404504	DYINIAPLGDQBKU-KRWDZBQOSA-N	409.580	5.519	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F	743096916	SOUQZFIRYUSJMQ-KSFYIVLOSA-N	405.448	5.545	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744034890	FWZBGBDTTMSLSS-GXFFZTMASA-N	408.832	5.948	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1SCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	744038176	OUIPUDIUOUSHKD-RDTXWAMCSA-N	418.465	5.522	30	20	HKED	
COc1cccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)c1	746347081	XHVGJQJHZXFFPR-VURMDHGXSA-N	416.449	5.305	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1	746417516	ZBTYLYLQJVGCOX-FQEVSTJZSA-N	417.534	5.259	30	20	HKED	
C=CC[C@@H](NC(=O)C(=O)Nc1ccc(SC2CCCCC2)cc1C)c1ccncc1	749726426	RPDLLOBOWSLNCE-JOCHJYFZSA-N	423.582	5.187	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)cc1	749819236	KAHPLTACDGVTHI-FQEVSTJZSA-N	417.431	5.114	30	20	HKED	
CN(C)C(=O)Sc1ccc(CNc2cccc(OCc3cccc(C#N)c3)c2)cc1	753122154	KCWXDQYDYVAHRV-UHFFFAOYSA-N	417.534	5.523	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1OC(F)F	753411945	GVQUGNUHBWSMGE-BMGYJQCNSA-N	402.397	5.317	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(Br)cc2SC)cc1NC(C)=O	755698879	JHFVMBPQOFKBIP-YVMONPNESA-N	420.328	5.034	30	20	HKED	
N#Cc1cc(F)c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(F)c1	756587913	CWHUFPZUBGPNIV-UHFFFAOYSA-N	420.375	5.047	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	767155294	VIOOWOUJXFQXFF-UHFFFAOYSA-N	417.214	5.209	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(C(F)(F)F)CC3)n2)cc1	774061317	CMVKADBCDJAQKR-GPANFISMSA-N	403.429	5.227	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)n1	777325798	SQCHAOVCTOPIND-BBWFWOEESA-N	419.591	5.306	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1	780154599	WGTJIUAWPPDZAQ-OAHLLOKOSA-N	402.416	5.447	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)CCC2	780422044	FQSLTVIHCLGUPW-FQEVSTJZSA-N	416.550	5.294	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1	786529788	DCVUPUFAHIFKTI-OQRGYWNNSA-N	421.711	5.075	30	20	HKED	
Cc1cccc2cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)oc12	787049399	GOVYWVYEXCHUAP-LRDDRELGSA-N	415.276	5.248	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)c2ncccc12	791947664	WDXACLRWABZJAY-QGZVFWFLSA-N	415.497	5.160	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nccc2ccccc12	792092454	QYDQKVJFKFUWBQ-OXQOHEQNSA-N	407.311	5.442	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(C2CC2)cnc1Cl)c1ccc(OCc2ccccc2)cc1	793372217	ZTWXZEBBQYDLEC-JOCHJYFZSA-N	417.896	5.186	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC=C(c3ccncc3)C2)c1=S	795736795	HGKWAFHDQQMZDN-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CO[C@@H]3CCCc4ccccc43)n2)cc1	797552009	ZJCKVECGIANWSE-NZQKXSOJSA-N	418.518	5.089	30	20	HKED	
N#CC1(CCCOC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CCOCC1	800097374	VDDGHWMDBZKPML-UHFFFAOYSA-N	418.468	5.298	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	806368667	ZPPHFJYLHLVJPT-LJQANCHMSA-N	407.514	5.098	30	20	HKED	
CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1	813378488	VUQSFLMXHRKGTP-JWQCQUIFSA-N	424.500	5.040	30	20	HKED	
Cc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1NC(=O)NC(C)(C)C	901378360	KJBIJVFYRJGRLL-UHFFFAOYSA-N	424.328	5.253	30	20	HKED	
N#Cc1cc(F)cc(C2(c3nc(-c4ccccc4OCc4ccccc4)no3)CC2)c1	904463197	FYHZKJRCFLTDHP-UHFFFAOYSA-N	411.436	5.406	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915351743	BYBAQRSRVAARIJ-MZNJEOGPSA-N	412.493	5.183	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353021	KWFCJSCEWBUDBZ-VWLOTQADSA-N	413.521	5.589	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1	915862056	IPWZXLSFTZHPBW-RRPNLBNLSA-N	418.496	6.101	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccnc2)ccc1OCCOc1ccc(C)cc1	916137010	HABIVPXRKSZRQN-WQLSENKSSA-N	403.478	5.143	30	20	HKED	
Cc1ccc(COc2ccc(C=Nn3c(S)nnc3-c3cccs3)cc2)cc1	916314054	MDRYCVUNBKPSIB-UHFFFAOYSA-N	406.536	5.065	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(CCC#N)CC(C)C)cc12	917363793	CGTOMRLOYMWAPZ-UHFFFAOYSA-N	400.935	5.061	30	20	HKED	
CCCCCCCCCN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1	918397580	GLYKLTMRPOXDEG-UHFFFAOYSA-N	408.533	5.026	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	920106574	SPBKHHPHBLBJMU-OAHLLOKOSA-N	421.522	5.036	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C)cccc3C)CCC2)cc1	1786367224	FYQGIDYBFWZZQK-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1	1791582663	IMDZROJMGVGYKE-UHFFFAOYSA-N	414.505	5.292	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)s2)CC1	1823750268	GRVAYOZPZIBLES-SFHVURJKSA-N	420.594	5.113	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828349442	CXLUVCGACSOIHT-GOTSBHOMSA-N	414.634	5.345	30	20	HKED	
COc1cccc([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	9902873	UTXRAUYDTRWPHE-OAQYLSRUSA-N	423.582	5.063	30	20	HKED	
C=CCNc1nnc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)s1	25183896	IKQLMYBKQAQPJZ-UHFFFAOYSA-N	414.503	5.571	30	20	HKED	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12	25841359	ICOGOEZBIRQGLQ-UHFFFAOYSA-N	415.522	5.059	30	20	HKED	
CCN(CC)c1ccc(-c2nnc(SCc3cc(C#N)ccc3F)n2CC)cc1	29618296	AOUBYAGMQRCNSH-UHFFFAOYSA-N	409.534	5.114	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	43078607	ZVOAEMTUDGXFFP-QHCPKHFHSA-N	408.505	5.013	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1	55569455	VVTRWEGJXSUSSE-UHFFFAOYSA-N	411.914	5.327	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)n1C1CC1	58515475	IOLYXIXAXISMAK-UHFFFAOYSA-N	401.485	5.293	30	20	HKED	
N#Cc1c(NC(=O)CCN2CCCC[C@@H]2c2cc3ccccc3[nH]2)sc2c1CCC2	112571170	BKZRDICNDVLHMD-OAQYLSRUSA-N	418.566	5.146	30	20	HKED	
N#CCCN(Cc1csc(-c2cccc(Br)c2)n1)Cc1ccco1	216466050	DONRPOUMCCUOFY-UHFFFAOYSA-N	402.317	5.081	30	20	HKED	
COc1ccccc1Oc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1	237164561	NVCUZBXZVPFUHL-UHFFFAOYSA-N	401.510	5.127	30	20	HKED	
COC(=O)c1cc(N[C@H](CCC#N)c2ccccc2)c2cc(Br)ccc2n1	301779853	IWYMQJWVQOHDPI-QGZVFWFLSA-N	424.298	5.241	30	20	HKED	
CC(C)n1cc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)cn1	302969843	IFWHXLJLFWHBDS-VOTSOKGWSA-N	402.317	5.246	30	20	HKED	
C=CCN(C(=O)c1ccc(F)cc1Br)c1nc(-c2ccccc2)cs1	327030778	RHJCYTSUVYGLOF-UHFFFAOYSA-N	417.303	5.545	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cccc(OC(F)F)c2)cc1	409899280	AYKINIQUIVOQOX-UHFFFAOYSA-N	424.403	5.142	30	20	HKED	
Cc1cnc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	429060120	KYYYMDGLUZGBNM-INIZCTEOSA-N	406.511	5.093	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ncccc2Cl)CC1	429739816	RPQCEFGUVQIRHU-HNNXBMFYSA-N	414.962	5.398	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21	431216140	LXBMVRTZZFRLHU-VGOFRKELSA-N	405.567	6.155	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1	431986844	NZGDCENEJQSCHG-DLBZAZTESA-N	404.297	5.161	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cccc(OCC(F)(F)F)c1	432675593	BXWNQFCMBYHXMO-CQSZACIVSA-N	408.445	5.203	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CC[C@H](CC(F)(F)F)C1	432992661	PMMYXJKDPREZRF-MRVPVSSYSA-N	406.273	5.113	30	20	HKED	
C=CCn1c(SCc2noc(Cc3ccccc3C)n2)nnc1-c1cccc(C)c1	434207238	SERBMRIUYSVVOM-UHFFFAOYSA-N	417.538	5.014	30	20	HKED	
Cc1occc1-c1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)o1	434643477	QHGAXCNBHODXGK-UHFFFAOYSA-N	401.491	5.630	30	20	HKED	
O=C(NCc1ccc(F)cc1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	435854352	DBNNUHRGRJOHDM-HNNXBMFYSA-N	408.317	5.337	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1	436136576	SPJZFQJLOIVHIH-UHFFFAOYSA-N	415.582	5.204	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)cc(Br)c1	437352924	BBGUQRSWWNEDGK-LLVKDONJSA-N	409.736	5.749	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	437930347	DEEROGMDTUABAQ-UNMCSNQZSA-N	407.514	5.178	30	20	HKED	
CCOCc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	437978204	UKERFOFYLOVILZ-UHFFFAOYSA-N	415.493	5.626	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1	441477594	YUMDWXSUQDDOON-GOSISDBHSA-N	424.504	5.477	30	20	HKED	
C[C@H](S[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(C#N)c1	443133847	NQUHWTODQWBQRE-NWDGAFQWSA-N	412.864	6.052	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1	443515960	MEMAKUHXEHBYSG-CQSZACIVSA-N	423.929	5.688	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCc2sccc2[C@H]1CC	460790796	CYOSDBRVLXPALH-HXUWFJFHSA-N	408.571	5.146	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(SCc2cccnc2)cc1	463626118	YKKAOFAFPCXNGB-UHFFFAOYSA-N	406.507	5.200	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1	464051496	VFVZTZRMAUYZBU-OAQYLSRUSA-N	412.436	5.125	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	467367576	DPBKEKSNPJWRME-INIZCTEOSA-N	417.513	5.493	30	20	HKED	
CCCN(CC1CCCCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470544212	SCSFUYBFBGVBQV-UHFFFAOYSA-N	410.562	5.094	30	20	HKED	
CC1(C)CN(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)CC[C@@H]1C(F)(F)F	478872308	WHCCOBMHWAYLAM-QWHCGFSZSA-N	400.338	5.049	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1	480401685	GEZDCFSZXCYNSC-HNNXBMFYSA-N	407.495	5.173	30	20	HKED	
COc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(OC)cc1Cl	482189014	YLTBGOUHLOWYKU-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1	483241042	ICDSNLWHHNXEJS-NRFANRHFSA-N	407.404	5.528	30	20	HKED	
C=CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)c1ccccc1	484259275	CQZFHPCLEQRLLT-UHFFFAOYSA-N	403.507	5.709	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C	484470599	GSVIUMVRQHRTSI-UHFFFAOYSA-N	421.545	5.434	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3ccco3)cc2F)c1	487569897	GTIZNXCIMVATHW-UHFFFAOYSA-N	402.381	5.382	30	20	HKED	
Cc1ccc2ncc(C#N)c(N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)c2c1	488132337	UIFBBBKFOZPXOL-CYBMUJFWSA-N	402.445	5.274	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)c1	488436214	SOGKZWDKXMNKON-UHFFFAOYSA-N	416.250	5.004	30	20	HKED	
C=CCn1c(SCc2nc(O)c3cc(Cl)ccc3n2)nnc1-c1ccc(C)cc1	489659294	UWKURTLRKQDHRY-UHFFFAOYSA-N	423.929	5.034	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(C)cc1	489661795	ZXWRPHPSDFNDBY-QGZVFWFLSA-N	417.538	5.651	30	20	HKED	
CC(C)CC[C@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	494214662	CBOAJFRPLZDGPX-QGZVFWFLSA-N	415.588	5.135	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1c[nH]c2ccccc12	495096856	DCENKEDYRKTRAC-KRWDZBQOSA-N	422.488	5.424	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1	497899228	MECIWQQXBLFXRM-HXUWFJFHSA-N	418.928	5.903	30	20	HKED	
N#CC1CCN(c2nc(-c3ccsc3)nc3scc(-c4ccccc4)c23)CC1	498246396	AGGOHTMQDMUTHT-UHFFFAOYSA-N	402.548	5.827	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1CC(C)C	501097687	BWPCITFBFWBKFU-FQEVSTJZSA-N	406.917	5.409	30	20	HKED	
N#Cc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1	504389578	UWJXXCWUHYEBIP-OAQYLSRUSA-N	413.908	5.184	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(Oc2cccc(Br)c2)nc1	505200964	IVAPNIVOSXUEKA-UHFFFAOYSA-N	416.319	5.038	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cs2)c1	505341947	DZRMMZHEFBFXOW-KRWDZBQOSA-N	416.333	5.349	30	20	HKED	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	505529381	GQTRTSRWIFFIOY-GOSISDBHSA-N	410.477	5.265	30	20	HKED	
N#C[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1	505966795	VRLDISLVCLCRON-OAQYLSRUSA-N	424.422	5.192	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2cc(Br)ccc2n1	506001993	LHMSHVBBZZJCAS-OAHLLOKOSA-N	414.328	5.376	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)C(F)(F)F)cc1	506681744	LQKRAHURVPJVAA-FZKQIMNGSA-N	423.460	5.372	30	20	HKED	
CC1CCC(Oc2cc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)ccn2)CC1	506724281	KYJFRGDSNJBIPO-UHFFFAOYSA-N	406.530	5.162	30	20	HKED	
CCCN(C(=O)c1cccc(C#N)c1C)[C@@H](c1cccnc1)c1ccc(F)cc1F	509414616	HERXXWHROUCOGP-QHCPKHFHSA-N	405.448	5.182	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(OC4CCCC4)nc3)c2)c1	512820681	KHIOJJDHPXBAOJ-UHFFFAOYSA-N	413.521	5.143	30	20	HKED	
CC(C)(C)c1nnc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	513872932	PMYIWJHCPVNOSQ-UHFFFAOYSA-N	423.517	5.081	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1	518165478	FXZLZNNYYIWERB-UZUQRXQVSA-N	419.525	5.989	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1-c1ccccc1	518168920	NVUNAHMWOSGDMA-LJQANCHMSA-N	415.562	6.269	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1	518266248	PNUXFXDVGURWTL-HXUWFJFHSA-N	400.522	5.775	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1	518666556	FAEBIWOVCVIMCG-KBPBESRZSA-N	407.461	5.396	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521076907	LLTWVVVHWLXSSM-UHFFFAOYSA-N	419.868	5.409	30	20	HKED	
N#CCc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)cc1	522478064	FICTUJANSRMYIB-UHFFFAOYSA-N	416.864	5.984	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccccc1-n1cccn1	531594462	SFZIXJCOZKODSE-FQEVSTJZSA-N	408.505	5.174	30	20	HKED	
COc1cc(CN(C)[C@H](C)c2sc(C)nc2C)ccc1OCc1cccc(C#N)c1	532961512	PWGVPNQXBUHBEF-QGZVFWFLSA-N	421.566	5.412	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1C1CC1	534982833	GSBMWDCDKSVPGI-OAHLLOKOSA-N	404.470	5.027	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc2ccc(F)cc2c1	535472916	YBUQXDFJLHJGFH-UHFFFAOYSA-N	419.403	5.651	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cc(C)n([C@H](C)CC)n2)cc1OC	538486882	CEBMWHBRBFJYDH-CYBMUJFWSA-N	408.340	5.111	30	20	HKED	
N#Cc1c(Cl)cccc1SCc1noc(Cc2ccc(Br)cc2)n1	541172801	HRDIIMJWXKPTAH-UHFFFAOYSA-N	420.719	5.240	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccn(-c2cccc(C#N)c2)n1)C1CC1	541871229	SFTJZNIQWBESKE-OAHLLOKOSA-N	424.426	5.129	30	20	HKED	
Cc1c([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nnn1-c1ccccc1	542107099	ZBIPROFPBPRPLT-OALUTQOASA-N	407.521	5.526	30	20	HKED	
CCCCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1OC	544323313	VVUNIVJJOMYYSV-SFHVURJKSA-N	421.541	5.181	30	20	HKED	
N#Cc1cccc(Cc2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)c1	547035210	UUTLCZCXPQSDDG-UHFFFAOYSA-N	417.472	5.111	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCCCC2)cc1	553404163	QJSJUGCSEJRLPP-IBGZPJMESA-N	422.598	5.246	30	20	HKED	
Cn1c(SCc2ccc(Br)cc2C#N)nnc1-c1ccccc1Cl	561434825	SNNDDLPLTQBOJI-UHFFFAOYSA-N	419.735	5.062	30	20	HKED	
N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1	561494032	HSFJGVVBCOFUNC-KRWDZBQOSA-N	418.255	5.101	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)cc2)ccn1	562109257	SNPCSVHLXYMHIX-QYEXWFEISA-N	424.504	5.688	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1	573403673	WOLDOMATVSCWRB-HXUWFJFHSA-N	408.546	5.948	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1cccc(C)c1	574866626	VWBRTAMPDHHHNB-KRWDZBQOSA-N	417.538	5.267	30	20	HKED	
N#Cc1csc(CNCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)n1	578102230	YNVAMWAALMKRTK-UHFFFAOYSA-N	414.490	5.284	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589364994	CCSABWKZTCHUNV-UHFFFAOYSA-N	420.900	5.841	30	20	HKED	
CC1(C)CC(C)(C)c2cc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21	590298785	FNLMFVGBKGGJQE-QFIPXVFZSA-N	417.553	5.135	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4onc(C(C)(C)C)c4c3)n2)cc1	590388688	NVLURXYEKWAHCU-KRWDZBQOSA-N	416.506	5.442	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2cc(F)ccc2s1	592973757	KDJZWCTXZCRHTR-AWEZNQCLSA-N	421.478	5.239	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2sc3cccc(C)c3c2Cl)c(C#N)c1C	602095983	JQIXEPOGAMLAAU-UHFFFAOYSA-N	418.927	5.534	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	603639135	YXSSQTVBJOTNBG-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)coc2c1	604004108	WCIMULBTXOLUED-UHFFFAOYSA-N	410.473	5.568	30	20	HKED	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1c(C#N)cnc2ccc(OC(F)F)cc12	604520311	DQSOSZINQWZMLH-GAJHUEQPSA-N	423.463	5.312	30	20	HKED	
Cc1ccc(SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	609028620	IZMVLJXXDSRSHP-HSZRJFAPSA-N	402.519	5.047	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	609379852	MOJVVLGGUBRKFW-UHFFFAOYSA-N	420.865	5.165	30	20	HKED	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	610325224	LYZQXYQAHJUKFL-QFIPXVFZSA-N	415.449	5.004	30	20	HKED	
Cn1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C(F)F	611160287	LZEDNBDSBUCDFH-OAHLLOKOSA-N	415.831	5.311	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)[nH]n1)c1nc(-c2ccc(Cl)cc2)cs1	613319792	LASXRDJTNYCMIK-INIZCTEOSA-N	404.882	5.344	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccsc2[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613345942	ATDBRIVAUFZUIS-LBPRGKRZSA-N	418.330	6.150	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3[nH]c(-c4ccccc4)nc3C)n2)cc1	619753909	HIVKNCAYLZJRQB-SFHVURJKSA-N	414.490	5.007	30	20	HKED	
Cc1ccc2snc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1	645955557	IVMRDJSUGAXOSL-LBPRGKRZSA-N	417.437	5.723	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2ccoc2)c1)c1nc2cc(C(F)(F)F)ccc2s1	677709123	DEFABJVJPAYMPL-INIZCTEOSA-N	412.392	6.065	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1	726695102	CBKLCQSPVROINZ-DSITVLBTSA-N	411.505	5.384	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(OCCC)c(OCCC)c1	726755800	XAZOCFSEMPPJKN-UHFFFAOYSA-N	417.509	5.013	30	20	HKED	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727951186	GZAGWFOUDZYKQA-XWGVYQGASA-N	417.553	5.002	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)c1ccccn1	730395180	CNZNLPMJEGTKCZ-IIBYNOLFSA-N	413.329	6.098	30	20	HKED	
N#Cc1cccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)c1	730436601	SVQFGDYBUBOJOS-RVDMUPIBSA-N	421.319	5.657	30	20	HKED	
O=C(O)CCCOc1ccc(C(=O)/C=C\c2ccc(OC(F)F)c(Cl)c2)cc1	731489723	KVRCTXITALLZAG-OQFOIZHKSA-N	410.800	5.081	30	20	HKED	
C=CCOc1ccccc1CN(C(=O)C(=O)Nc1ccccc1)c1ccc(C)c(C)c1	732116017	VJWUIYTVCKEPAD-UHFFFAOYSA-N	414.505	5.040	30	20	HKED	
C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	733621651	LHCMJBRQGGJXFY-AHKZPQOWSA-N	409.533	5.928	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	733843066	JTTOOHIZVAJMAS-ZCYQVOJMSA-N	424.504	5.345	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)c1	733851694	HPKALMJTMAUAPN-URXFXBBRSA-N	421.541	5.203	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3nccs3)c2)cc1	737321823	BUAQCDAVXXZVAO-QRWLVFNGSA-N	419.506	5.410	30	20	HKED	
Cc1ccc(CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C(C)C)s1	740483606	SWDFMNYWOKMWAL-UHFFFAOYSA-N	409.580	5.777	30	20	HKED	
Cc1cccc([C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	740535316	MAYHWSMYZASXBY-SUMWQHHRSA-N	415.345	6.405	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccnc4ccccc34)n2)cc1	741112936	ISMLTRLCTKZSFA-NHHWLVAYSA-N	411.486	5.257	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@@H]2c2ccc(C)cc2)c1=S	742155810	SKMQXUVBTWSCHG-OAQYLSRUSA-N	405.571	5.155	30	20	HKED	
CC(C)=CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	744035786	RKYQCNYZMGXOAK-QGZVFWFLSA-N	423.925	5.022	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2[C@H](CC)c2ccccc2)c1=S	746713237	STJFHVOXLOZCLY-YADHBBJMSA-N	419.598	5.278	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c1	751275320	LMXYEKSGXGDUEV-VVLBCNRYSA-N	420.475	5.133	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc4ccccc4c3)n2)cc1	753393950	AZJVXFGYONMVLM-AOMKIAJQSA-N	412.514	5.952	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	753397775	XIUGYZJMPUNILT-YWZLYKJASA-N	401.491	5.060	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cc(Br)ccc1Cl	755312529	MSQKIUBKSBGLNI-LBPRGKRZSA-N	422.710	5.057	30	20	HKED	
CC(=NNc1nc(O)c2ccccc2n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	757591449	VLRMZHOERXSFPE-UHFFFAOYSA-N	414.309	5.209	30	20	HKED	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	765986180	CUENDBNOGURIAC-WAIKUNEKSA-N	419.456	5.123	30	20	HKED	
FC(F)(F)C1CCC(C=Nn2c(S)nnc2CSc2ccccc2)CC1	767392988	CAPZESJNJJJRPP-UHFFFAOYSA-N	400.495	5.062	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	767407224	CBFMCPVLFDXHRN-KRWDZBQOSA-N	408.527	5.185	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)N(C[C@@H](C)C#N)C4CC4)cc3C2)cc1	772586371	ZOMGDTDIJJFFTF-SFHVURJKSA-N	402.542	5.486	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	772666882	OSIVAFZNOPJLBI-YVEFUNNKSA-N	409.338	5.307	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)CCC2	780789225	JWGADGHCJGSBIM-FQEVSTJZSA-N	419.575	5.423	30	20	HKED	
C[C@@H]1C(=O)CC[C@H](C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)C1(C)C	781313836	IOYCADPQPBVHRX-DENIHFKCSA-N	403.522	5.071	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1	782753512	ICMWKZSOIRAUCZ-UZUQRXQVSA-N	400.482	5.129	30	20	HKED	
Cc1ccc2cc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)ccc2n1	783508657	BOJPYNHEHARUPK-UHFFFAOYSA-N	414.321	5.279	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1c(Cl)ccc(C)c1Cl	795139585	OTHCBEQBAKTNNK-UHFFFAOYSA-N	411.402	5.854	30	20	HKED	
O=C(/C=C\c1ccc[nH]1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	802032654	SSNRLMIOVWZAEZ-QXMHVHEDSA-N	401.516	5.649	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)c2ncccc12	802041982	KHDPCEVJXFMMMM-HNNXBMFYSA-N	418.667	5.156	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2c(CN[C@@H]3CCCc4cc(C#N)ccc43)cccc21	806180871	IWIGUJQACQCFPP-HSZRJFAPSA-N	417.553	5.413	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1COC(=O)N(C)CC	806451830	MRAJOLVBLSMNLX-IBGZPJMESA-N	401.551	5.013	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)c(F)c3)n2)cc1	810549566	NMVAKJWWPDBFQH-HNNXBMFYSA-N	400.862	5.030	30	20	HKED	
C#C[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccc(Cl)cc1	811516722	UQXAELKZLBRMLD-OAQYLSRUSA-N	409.942	5.254	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCc3ccccc3C#N)c3cnn(C(C)C)c3n2)c(C)o1	825818677	DVMUZIAWEVGVQZ-UHFFFAOYSA-N	414.465	5.118	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccccc2OCc2cccnc2)ccc1OC(F)F	915983813	AQMYAFDPDRKCHU-CSKARUKUSA-N	411.404	5.167	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(F)c(Br)c2)ccc1OC(F)F	916126855	NBFFFAWDDMELJZ-ZZXKWVIFSA-N	401.178	5.094	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917043043	GFWNOEMJTTWSMF-QMTHXVAHSA-N	417.899	5.215	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1F	918101792	NLLQPLXIQITNHA-ZNSHCXBVSA-N	418.328	5.235	30	20	HKED	
C[C@H](OC(=O)c1cccc(CC#N)c1)C(=O)Nc1ccccc1Sc1ccccc1	919310734	OIOQUEBIAURDFL-KRWDZBQOSA-N	416.502	5.088	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3cnc(CCCCC)s3)cc2)CCC1	1791076677	CKQFFVLZBBNBIM-UHFFFAOYSA-N	423.582	5.037	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCCn3cccc3)cc2)CCC1	1791899735	MEBLMGOWZVOCGE-UHFFFAOYSA-N	419.569	5.171	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC3(F)F)cc2)CCC1	1792249683	YRMYGUCDMGZAQD-NRFANRHFSA-N	404.501	5.158	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1828829324	GVRBNGZMXIOSLF-TWDDROGUSA-N	414.634	5.201	30	20	HKED	
N#Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c1	7265370	UXFVXEKALSPIFU-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccccc1	7746764	AMUHFIPFUZTNRX-UHFFFAOYSA-O	401.964	5.302	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)cc1C	11163501	JRFFSNUUNMZCSJ-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
Cn1c(SCc2cc(C#N)ccc2F)nc2scc(-c3cccs3)c2c1=O	11383358	GOLVDQAPZFEQKX-UHFFFAOYSA-N	413.524	5.027	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	20043026	SLGCFXPOTIRNCZ-UHFFFAOYSA-N	417.943	5.399	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccccc2F)c1	28778966	ZRCLQOPKXIOTNE-UHFFFAOYSA-O	421.561	5.770	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1	30867804	KVRBFXXBKAGGOU-UHFFFAOYSA-N	412.942	5.534	30	20	HKED	
COc1ccc(Br)cc1-c1nc(CSc2cc(C#N)ccn2)cs1	71918364	SZEAAIYCLPZYPF-UHFFFAOYSA-N	418.341	5.140	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1sc(Cc2ccc(F)cc2)nc1C	108427706	LLFRSGYUXDZAJU-UHFFFAOYSA-N	410.514	5.018	30	20	HKED	
Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)o1	139866194	RIBVQHYIHSBNNW-QPJJXVBHSA-N	402.200	5.415	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1	217844402	DABTZZJIXYITLZ-UHFFFAOYSA-N	424.529	5.687	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cc(OC)c(OC)cc2-c2ccccc2)cc1	237445379	JFXDGJKUUTUEMU-UHFFFAOYSA-N	417.509	5.290	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cc4c(cc3Cl)CCC4=O)c2)cc1	429481481	PSQAIOUWSPVTSF-UHFFFAOYSA-N	416.864	5.172	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2NC(=O)c2ccccc2)s1	430592336	MMGHNJBXKRWQQE-KRWDZBQOSA-N	403.507	5.183	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccccc1	431462126	YIEBCAQZXHZVHH-PMACEKPBSA-N	403.448	5.284	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CCC(C(F)(F)F)CC3)c2)c1	435570323	WIVJOPBXJHSTEB-UHFFFAOYSA-N	415.415	5.118	30	20	HKED	
C=C(C)[C@@H](NCc1csc(-c2ccc(O)c(OC)c2)n1)c1ccc(F)c(F)c1	436524272	GCAIMDQKJZWIAB-HXUWFJFHSA-N	402.466	5.210	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cc1	437839636	HXMAKERKYVEFPS-JPYJTQIMSA-N	421.516	5.255	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1C[C@H]1Cc1ccccc1	437980646	USEMMLRKXQRBMV-RDGATRHJSA-N	411.505	5.198	30	20	HKED	
C[C@H](NC(=O)Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(C#N)cc1	438635325	UGOOGVCQKMSRPM-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
N#Cc1cc(N(C#N)Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)ccc1F	439700303	XAKWNUQXTXQLQG-UHFFFAOYSA-N	415.859	5.236	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(CCC(F)(F)F)cc1	440366347	LZBAWMIKHNEGRA-AWEZNQCLSA-N	407.461	6.220	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C	468313992	AXINTKFNEXEQJL-HXUWFJFHSA-N	402.542	5.466	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCc2ccc(O)c(F)c2)cc1	469319263	CTTCXJBDPOYZIX-UHFFFAOYSA-N	420.459	5.094	30	20	HKED	
C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@H](C)c1nc2ccccc2s1	475089365	GUWPTJCRKIDBHI-XYCLOBBJSA-N	406.555	5.035	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1cc2cccc(F)c2o1	475702505	OTVGXQRVHGFWPR-GJZGRUSLSA-N	411.502	5.255	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3csc(-c4ccco4)n3)cc2)cc1	478869492	LZMSRMQPCGZSIT-UHFFFAOYSA-N	415.474	5.191	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccc(C(C)C)cc2)n(Cc2ccco2)c1C	479237786	CYBLRHKUYNKHSE-UHFFFAOYSA-N	407.539	5.472	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1)c1ccc(F)c(F)c1	480592311	XLKKEPQJHOKILH-FQEVSTJZSA-N	415.484	5.697	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc2c1CN(c1ccccn1)C2	480993462	QZPJQIWJTMVBTO-UHFFFAOYSA-N	424.957	5.537	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1	486868822	LKXSVUWQEYBQOU-WIYYLYMNSA-N	424.932	5.382	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccccc1C	488912959	OWVUFDZIHITCFF-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H]1CCCC[C@H]1C(F)(F)F	500214681	KCQMEGRUQLDVAW-VXGBXAGGSA-N	401.322	5.464	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC=C(c2ccc(C#N)cc2)CC1	502532306	YGQVBRTVNNKCNH-FQEVSTJZSA-N	407.517	5.342	30	20	HKED	
O=C(NC1CC(C(F)(F)F)C1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	502682825	XCXQEVAOIQEKMI-HTAVTVPLSA-N	422.291	5.339	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1C(F)F	502691951	XYISKCYGJIAYPP-VXGBXAGGSA-N	404.301	5.138	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N2CCC(C)(C#N)CC2)nc1-c1ccc(Cl)cc1	504419782	RBRVOWGAEWDOJU-ZDUSSCGKSA-N	402.951	5.168	30	20	HKED	
CCCn1nccc1C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	505324335	GECHOHKNSNWYGY-QGZVFWFLSA-N	411.575	5.099	30	20	HKED	
CC1(C#N)CCN(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1	507974571	YEZIWPGBLDYTBB-UHFFFAOYSA-N	402.325	5.418	30	20	HKED	
C=CCN(C(=O)c1ccc(Sc2ccccn2)cc1)c1nc2c(s1)CCCC2	508767001	AVJFJSKQQDHKBJ-UHFFFAOYSA-N	407.564	5.401	30	20	HKED	
Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	511486901	JSSLFHZUKRECAO-UHFFFAOYSA-N	408.461	5.291	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2sccc2C#N)c2cccs2)cc1	511951252	DFMHHGNVJXXWSN-LIRRHRJNSA-N	423.563	5.039	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)N(Cc1ccco1)c1ccccc1C#N	512231101	YHELBMDNLVGLHN-IBGZPJMESA-N	400.478	5.203	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(CC#N)cc5)(C4)C2)C3)cc1	512257711	CWPYMQQSTOBLDY-WSQGFLFRSA-N	400.522	5.238	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1	513123219	KBNOCEQCKWMFMN-UHFFFAOYSA-N	412.464	5.206	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)CC1	517324466	RIVFPIAZYDJWOO-IBGZPJMESA-N	411.512	5.132	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccccc2)nc1	518240398	XQWIHCXFDPPONM-KRWDZBQOSA-N	403.507	5.307	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(F)c1	518378329	YBPDDVDQNUNBQS-UHFFFAOYSA-N	404.441	5.724	30	20	HKED	
C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccoc1C	520725210	FEKYFNIXIFRUMW-UHFFFAOYSA-N	413.890	5.028	30	20	HKED	
CC[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C)cs1	521489693	SRQNBJSPKQTWSJ-LJQANCHMSA-N	407.564	5.497	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	521640914	FZHUDUNNTHQJAK-NRFANRHFSA-N	410.445	5.317	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)o2)cc1	521790777	ZFBVYPNAHFHERA-UHFFFAOYSA-N	422.440	6.065	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1ccc(-c2ccc(Br)cc2)s1	521807904	FWSMEBQDMRUYGL-UHFFFAOYSA-N	404.251	5.368	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1	522592618	GBVLPIJCUWYMNP-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
CS[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1	522704597	IGMWOHLKPREILP-FGZHOGPDSA-N	411.546	5.083	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	523523048	DSBVJTZOMIIXBI-GOSISDBHSA-N	417.484	5.179	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	524998471	JOZDTDKQJDZCLM-MRXNPFEDSA-N	411.477	5.980	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1sccc1Br	530330985	DPXNGRPWIPUDJR-CYBMUJFWSA-N	418.360	5.267	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](C2CCN(C)CC2)C1)c1ccc(C(F)(F)F)cc1	534442849	PVBJYKNRIWUXBI-FPOVZHCZSA-N	423.523	5.086	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1)OCC	535151341	FNYBOLMNPCXZIZ-YADARESESA-N	408.542	5.106	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	537025434	VHMAQSZJQVCDRQ-QZTJIDSGSA-N	411.571	5.157	30	20	HKED	
CC(C)(C)c1cc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)c(C#N)s1	539174928	RPMTUOXBWODFGG-UHFFFAOYSA-N	407.326	5.053	30	20	HKED	
CN1CCC2(CC1)C[C@@H](NCc1ccc(-c3ccccc3C#N)cc1)c1ccccc1O2	539407264	UQQZVJGFHYPNDD-AREMUKBSSA-N	423.560	5.303	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F	540533757	BBNJYDVBEAKBPO-SNVBAGLBSA-N	421.250	5.068	30	20	HKED	
CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1)c1ccccc1F	542246602	BGBQIEFUWUXPDM-UHFFFAOYSA-N	420.513	5.003	30	20	HKED	
COc1cc(CN[C@@H](c2ncc(C)s2)C2CC2)ccc1OCc1cccc(C#N)c1	544425858	ZTTFGUZTKZRRSJ-HSZRJFAPSA-N	419.550	5.152	30	20	HKED	
N#CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1	547359956	CLRHTZCMHXUCDY-UHFFFAOYSA-N	415.902	5.165	30	20	HKED	
C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(OCc2ccccc2)CC1	558994832	LMQVGACKVUPZNQ-UHFFFAOYSA-N	408.571	5.077	30	20	HKED	
CC[C@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1	572057462	DOOVQJPHGSQYIO-VIFPVBQESA-N	418.309	5.340	30	20	HKED	
N#CCc1ccccc1NC(=O)c1cccc(Sc2cccc(Br)c2)n1	578260679	HHUYDMKYWSQRNS-UHFFFAOYSA-N	424.323	5.314	30	20	HKED	
N#CCCCCCC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F	588887628	MGMFUNRHXMMYHA-FQEVSTJZSA-N	403.295	5.268	30	20	HKED	
N#Cc1ccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1	589308821	JNIGFGQXSSSVQB-ITGUQSILSA-N	418.303	5.576	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c1	589740340	RUJDDGBASCKEMF-UHFFFAOYSA-N	404.514	5.128	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	603969014	VBIVWNQXGAHJTK-UHFFFAOYSA-N	401.516	5.971	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1F	605363636	SYGAUACFUKASSF-IBGZPJMESA-N	401.416	5.615	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)NC(C)C)cc1	606831120	KLZHGXRATSLVCF-UHFFFAOYSA-N	421.419	5.052	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)n2)cc1	608896346	JYRWGIMGAWSTJE-UHFFFAOYSA-N	420.494	5.120	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	609065126	YQQHGMSPJPWOEZ-UHFFFAOYSA-N	423.472	5.282	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cc2ccccc2n1CC#N	609173499	VMCWVQPGRPJXPY-LJQANCHMSA-N	409.489	5.866	30	20	HKED	
Cc1cccc2sc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c(Cl)c12	609589045	KQNDSLXONBNFJM-CYBMUJFWSA-N	419.731	5.620	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609729983	GBMWWHFRXOYDCJ-UHFFFAOYSA-N	405.885	5.450	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)c2)cc1	609987474	FSJZGUNPLIVACH-UHFFFAOYSA-N	424.504	5.227	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CSC2CCCC2)c1	610125482	DJJAWSRJIHFPJM-UHFFFAOYSA-N	410.587	5.161	30	20	HKED	
C[C@H](O)CN(Cc1ccccc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	610164025	XVGOSRYGSZPNAX-KRWDZBQOSA-N	420.896	5.027	30	20	HKED	
N#Cc1c[nH]c2c(F)ccc(F)c2c1=NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	610246148	GQVYMKIYOGEABO-UWVGGRQHSA-N	423.307	5.128	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Cl	611093930	OVOOEYYYQQZUBH-PSBKLILYSA-N	421.928	5.075	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612805324	RWQHAOTXLJQKKP-ITGUQSILSA-N	414.415	5.355	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cnn1-c1cccc(C(F)(F)F)c1	613292182	BOZCCSXRITZYEH-SFHVURJKSA-N	420.394	5.238	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCc1ccc(C#N)c(Cl)c1	619756630	BETGEQZYBLHXSX-CQSZACIVSA-N	410.930	5.204	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622478086	UPSCKBJPVNAJBD-IAQYHMDHSA-N	423.328	5.422	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(Oc3cc(F)cc(F)c3)cc2)cc1NC(C)=O	726427724	UVSNISNDILILCE-UITAMQMPSA-N	423.415	5.620	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C	728668590	ZIXPAECQKYVGFX-SFHVURJKSA-N	414.461	5.151	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(Oc3ccc(CCOC)cc3)cc2)c1	730956676	DHOLGWRFPOEXNP-UHFFFAOYSA-N	402.519	5.458	30	20	HKED	
C#CCOc1ccc(CN[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1	733325081	VVXNBLXOAKLKIY-FQEVSTJZSA-N	401.506	5.137	30	20	HKED	
N#C[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1	733621979	IUYNNWPQHVVSQG-PUUJXSFGSA-N	416.296	5.258	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)ccc2c1	734080916	ADFOSFBLDJGBGP-IVYDRHTBSA-N	411.486	5.257	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]3c3cccc(F)c3)c2)s1	740058691	ZGPUIGOVTSCXGN-OAQYLSRUSA-N	405.498	5.473	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)/C=C\c1ccccc1C#N)c1ccccc1Cl	741602017	CQNQAFWYBVTZMG-XYSUMVETSA-N	402.881	5.139	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(SCC(F)F)cc3)c(Cl)nc21	741847203	LRHUMRABJICQJS-YVMONPNESA-N	421.900	5.919	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C\c1cn(-c3ccccc3)nc1-c1ccncc1)C2=O	742436528	BYILWPUMAZZDQI-RCCKNPSSSA-N	402.457	5.018	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1	742653256	HKVUIYHTKNIECI-OKFGHLOFSA-N	404.457	6.142	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1Cl	743034720	BRIGGUNAGSDZJX-UHFFFAOYSA-N	422.872	5.824	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C)cs1	743097822	XOIIKBFDWNHODP-NFBKMPQASA-N	404.539	5.554	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1	752634829	CEONSAZVBWBHMT-HXUWFJFHSA-N	401.432	5.538	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)CCO2)cc1	757520704	NWGOVCRMWDUFTF-QPPBQGQZSA-N	417.461	5.116	30	20	HKED	
CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760435091	USUBTHRKYLSPQS-ZDUSSCGKSA-N	408.289	5.010	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cccc(/C=C/C(=O)c3ccc(C#N)s3)c2)s1	762442878	LFCHZPMGDXFHEX-MVTUOISNSA-N	400.484	5.345	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(C#N)s2)ccc1OCc1ccc([N+](=O)[O-])cc1	762443531	QBXFABZEYFPZED-WTKPLQERSA-N	420.446	5.012	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CC=C(c3ccc(Cl)cc3)CC2)c1=S	765070592	LRZVVVIMKSCZBC-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc2ccsc12	767961726	ZSIHAFMTCKJCLU-OAHLLOKOSA-N	402.447	5.177	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CCCC(=O)c2ccc(Br)cc2)cc1	772152228	RDICVCXYQWUOKE-UHFFFAOYSA-N	413.315	5.057	30	20	HKED	
Cc1cc(-c2cc(C(=O)OC[C@@H](C#N)Cc3cccs3)c3c(C)noc3n2)c(C)o1	772732375	FKVZPVGCNYWXHO-OAHLLOKOSA-N	421.478	5.009	30	20	HKED	
N#C[C@H](COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1cccs1	772732908	KQGNVIIKPRRFGP-GFCCVEGCSA-N	422.453	5.430	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Br)s2)ccc1OC	772977593	BDPJAKRXJIRKQN-OCCSQVGLSA-N	409.349	5.051	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(-c3ccccc3)c2)ccc1OC	772985009	IFIORBQYYYDFEN-YADARESESA-N	400.522	5.894	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(OC)cc1	776081750	PVABYHSEKMBKKZ-HZPDHXFCSA-N	418.440	5.694	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	779609591	OVVPPFRSDMGLSX-UHFFFAOYSA-N	401.781	5.162	30	20	HKED	
COc1ccc(CCN(CC(C)(C)C)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1	780667470	IHKIPXIORFKEEH-GOSISDBHSA-N	409.530	5.109	30	20	HKED	
O=S(=O)(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cccc(C(F)F)c1	780777065	PYXJCOQDWWFGSB-CQSZACIVSA-N	414.779	5.157	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2)n1	785554284	HQSDUSPHWTWAJE-HXUWFJFHSA-N	405.548	5.033	30	20	HKED	
O=C(C[C@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O)Nc1cccc2ccccc12	790729076	WVRQAWVPUJGJKA-LJQANCHMSA-N	421.547	5.024	30	20	HKED	
C=CC[C@@H](OC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc(Cl)c(Cl)c1	797566583	NVGNRAHCSJMJCV-GOSISDBHSA-N	407.297	5.032	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(c2cccc(Br)c2)CC1)c1ccncc1	798414531	QMIVNLKSPTYPHW-FQEVSTJZSA-N	414.347	5.051	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC(C)(C)CCC#N	798878897	OKUSDLHVYHNWSN-UHFFFAOYSA-N	404.919	5.449	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)cc1	805356287	CEDIBSSXLKWHKE-UHFFFAOYSA-N	424.456	5.350	30	20	HKED	
O=C(CSCC(F)(F)F)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809126017	CMIDKSWRSZAGHE-JTQLQIEISA-N	400.262	5.148	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccc1	817320153	YTTRXKRCEHPDIU-RPBOFIJWSA-N	424.500	5.306	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc2)n1	915100596	WHSJVDOJASVVKM-KRWDZBQOSA-N	418.547	5.121	30	20	HKED	
C[C@@H](OCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	915352920	PDPQIGYGZAFJDH-CJFMBICVSA-N	413.521	5.631	30	20	HKED	
Cc1cc(C)nc(NN=Cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)n1	916241123	IHYOXQCVGYLWBM-UHFFFAOYSA-N	423.735	5.053	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2nc3ccccc3s2)o1	916907154	UZCAEXQUASTKSW-LBPRGKRZSA-N	421.865	5.171	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(Cl)c1	916940999	YDJYWSCHGQZHAN-QGZVFWFLSA-N	412.873	5.072	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)s1	917025495	LWJFQTFJJCDAFV-HNNXBMFYSA-N	421.572	5.723	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917043943	PIAQPCPSRNYQOM-OAHLLOKOSA-N	413.424	5.455	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1	917669747	UKIPJHWWGFEFGQ-QHCPKHFHSA-N	412.880	5.433	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1	919904632	QHGQNCCXFACNGZ-ZEQRLZLVSA-N	415.493	5.148	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3cccc(Cl)c3)n2)cc1	920140469	CQFXBQJFKGUVJQ-SFHVURJKSA-N	423.950	5.445	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1	1792377744	MIIHQYDPJXFWJB-OAQYLSRUSA-N	424.438	5.078	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C)CC2)n[nH]1	1822944213	GBMUAGRAOHVEBH-QWFCFKBJSA-N	414.594	5.221	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1829068770	PKVXHCFFGOLUAI-JOCHJYFZSA-N	402.623	5.345	30	20	HKED	
C[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1	26126580	ZYBNWLQZHLYVDM-ZDUSSCGKSA-N	415.440	5.120	30	20	HKED	
CC(C)c1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(C(C)C)c1	44246837	IEOBCONZMFLSOI-UHFFFAOYSA-N	408.521	5.298	30	20	HKED	
CCCOc1ccc(CN(CCC)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1OC	47052890	YTVHGKBHAOCTLI-GOSISDBHSA-N	409.530	5.038	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccccc1OCc1cccnc1	303004855	PBOXQDBNVXINLR-CCEZHUSRSA-N	409.489	5.359	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	303644128	IGOAXAQGAGXMNT-MOPGFXCFSA-N	404.416	5.679	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc12	430632520	XQAFKQGGDBGTHR-INIZCTEOSA-N	420.563	5.640	30	20	HKED	
CN(C(=O)c1ccccc1-c1ccccc1C#N)c1nc2cc(Cl)ccc2s1	435975392	SICGWLAWMAWWDO-UHFFFAOYSA-N	403.894	5.765	30	20	HKED	
C=C[C@@](C)(CCOC)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	437845518	VGEIZNQPNDXYRC-NRFANRHFSA-N	420.431	5.125	30	20	HKED	
COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1	438045386	BEDCJVIGBIOZQX-UYAOXDASSA-N	423.582	5.434	30	20	HKED	
CCOCc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438672437	QQTYXXSLQZBAEY-UHFFFAOYSA-N	405.429	5.670	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCc1cc(C#N)ccc1F	440324757	IWUWXHWKNNPHOA-UHFFFAOYSA-N	409.464	5.080	30	20	HKED	
C=CCN(C(=O)CCc1nc2cc(Br)ccc2s1)c1ccccc1	443816643	ZNMAEJZQQLYAGM-UHFFFAOYSA-N	401.329	5.211	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1	445173715	NMMVUQXLVBDQIA-KURKYZTESA-N	415.603	5.131	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(Cc2ccc(F)cc2)no1	447404637	ULECIJBAVXEBKH-INIZCTEOSA-N	414.440	5.637	30	20	HKED	
C[C@H](C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1cccc(C#N)c1	462244573	HLYQBSIKLRFALR-HNNXBMFYSA-N	417.336	5.176	30	20	HKED	
CCO[C@@H](c1noc([C@@H](C)c2cccc(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	463044843	PWAROJFXLGSABE-KPZWWZAWSA-N	419.378	5.377	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1	466087901	SGYJEOYUEYJFFO-FQEVSTJZSA-N	400.522	5.821	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)Oc1ccccc1F	466170046	UNODFBBQHSRZMC-INIZCTEOSA-N	405.429	5.079	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1	466440733	DVPFBUVHZVWYLV-OAHLLOKOSA-N	419.485	5.222	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)NCCc3cccc(C#N)c3)cc2c1	466815850	WFNGGMNDZKZNLL-UHFFFAOYSA-N	413.477	5.160	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2c(ccc3ccccc32)o1	469165857	FCEXJQPPZHYZDO-GOSISDBHSA-N	423.516	6.342	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1	470200217	KRGRRGWAMXFPQT-UHFFFAOYSA-N	401.526	5.039	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1	470683248	PMQONCVLESQCPS-LEWJYISDSA-N	420.900	5.114	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	470963544	LZMCQYFDLIHMNQ-UHFFFAOYSA-N	419.243	5.016	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)CC2CCCC2)CC1	475577246	CPKWXPYISBDVHT-UHFFFAOYSA-N	411.590	5.231	30	20	HKED	
N#CC[C@H](CC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccccc1	476663159	PJZCXKPKHLJHAV-NHCUHLMSSA-N	415.562	5.119	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cnc(Cc4ccccc4F)s3)n2)c1	477718017	NBGNQBICDWYVPD-UHFFFAOYSA-N	420.494	5.120	30	20	HKED	
CCC(CC)[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CCO1	479681884	FOPVVZOHCRHLLQ-TZIWHRDSSA-N	408.567	5.423	30	20	HKED	
COc1cc(C#N)cc(Br)c1OCc1coc(-c2cccc(Cl)c2)n1	479935962	YVZCDFXVFYPKDA-UHFFFAOYSA-N	419.662	5.217	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2Cc3ccccc3C3(CC3)C2)cc1	480316945	WDLKJJVTZRDCGJ-UHFFFAOYSA-N	423.516	5.411	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)s1	481828250	DEHUGBHYGMXOLE-UHFFFAOYSA-N	417.412	5.184	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccccc1	484507340	XBTGXKNTLKVPGR-CQSZACIVSA-N	423.542	5.642	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(Br)c(Cl)c1F)c1ccccc1	487501988	MSAGQQKJIWXOIB-HNNXBMFYSA-N	409.686	5.407	30	20	HKED	
N#C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)CCO1	491593032	AWXVVIXJCIHSBY-GFCCVEGCSA-N	410.688	5.070	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1	499257397	VNLRNBFGKHLAJJ-KRWDZBQOSA-N	409.445	5.305	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)oc2c1ccc1ccccc12	499416026	GODISCYFZUFJPB-IBGZPJMESA-N	419.278	5.652	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@](C)(C#N)C(C)(C)C)cc1	499468990	HSBGBYOIMJMHEB-RUZDIDTESA-N	403.526	5.221	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC	499998136	ATZGRZRAZROCSQ-UHFFFAOYSA-N	423.520	5.042	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccnc(-c4ccc(Cl)cc4)n3)n2)c1	502064151	RGFIKKNRZISGGT-UHFFFAOYSA-N	417.881	5.044	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(COCc3ccccc3)cc2)nn1-c1cccc(C#N)c1	503359016	BJIXYBQJYQVOIW-UHFFFAOYSA-N	422.488	5.022	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccccc3C(F)(F)F)n2)cc1	505443596	KIAAFTOUHCCHEB-CQSZACIVSA-N	417.412	5.083	30	20	HKED	
N#CCCN(Cc1ccco1)Cc1cn(Cc2ccccc2)nc1-c1cccs1	505740417	SCOXSNAKBJBTOZ-UHFFFAOYSA-N	402.523	5.169	30	20	HKED	
Cc1ncc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1	509007917	VGJBAORKHZAZMM-ZDUSSCGKSA-N	417.275	5.216	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(F)cc3)no2)nnc1-c1cccc(C)c1	510524528	LMMOJZDWZAUNLC-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nc2c(Cl)cccc2n1CC(F)(F)F)c1ccccc1	511553538	RKXWKWMLALIJEM-AWEZNQCLSA-N	420.822	5.278	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(COCC3CC3)c2)c1	513238971	SNMWTNJMISWPHG-UHFFFAOYSA-N	412.489	5.316	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nc3c(s2)CCCC3)cc1	513949405	ADAYVWLLNKSWQS-UHFFFAOYSA-N	420.513	5.267	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	518849304	ZHOKHOBWQKOEGU-INIZCTEOSA-N	419.403	5.271	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1cccc(C(F)(F)F)c1	520271576	YZANBDKSABWWCD-AWEZNQCLSA-N	412.198	5.488	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2c(Br)cccc2[nH]1	520826266	JIKSGIPUIAOJKA-LBPRGKRZSA-N	414.328	5.434	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3	521726842	LEEACHFDAJZBDU-MRXNPFEDSA-N	420.534	5.723	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCOc2ccccc21	522732173	ZOGZTLMVMSXPLV-NRFANRHFSA-N	414.480	5.495	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4cncnc4)cc3)cc2)cc1	522736671	KRUAUAWFKVORSI-UHFFFAOYSA-N	406.445	5.254	30	20	HKED	
COc1cnccc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	527332002	PFFORBBZIYQRGU-CQSZACIVSA-N	422.872	5.290	30	20	HKED	
O=S(=O)(Cc1cccc(NCC#Cc2ccccc2Cl)c1)C1CCCCC1	533005545	LAUUYMILMQBRSX-UHFFFAOYSA-N	401.959	5.051	30	20	HKED	
C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	534193023	QYRSHCDJOWCCJY-GOSISDBHSA-N	400.478	5.002	30	20	HKED	
CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	535674471	FVCBCRZJTWDXCV-UHFFFAOYSA-N	414.893	5.062	30	20	HKED	
CSc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccn1	536816465	NRTWOOLSMQGJGX-IBGZPJMESA-N	422.941	5.434	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1	537928247	JVBTZCDEABKJMC-GBXCKJPGSA-N	413.477	5.250	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(CC#N)cc2)[C@H]2CCCC[C@@H]2C)cc1OC	540064141	GRTKIJMTKLPQEJ-AVRDEDQJSA-N	421.541	5.383	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ccc2[nH]ccc2c1	540493899	OPEXZEQZFQTXDR-UHFFFAOYSA-N	409.489	5.498	30	20	HKED	
CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(CC#N)cc1	542212581	PDKXNWHOONATHL-UHFFFAOYSA-N	423.866	5.274	30	20	HKED	
N#Cc1ccc(/C=C/c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)cc1	544945266	QNTICBLITWDMBC-OUKQBFOZSA-N	410.408	5.170	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)N(CCC#N)c3ccc(F)cc3)cs2)cc1	554287014	YXPSPWMARHIYLR-UHFFFAOYSA-N	409.486	5.298	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(-c2ccc(Cl)cc2)no1	573853588	OAGODJDDFFUYDQ-CQSZACIVSA-N	417.856	5.622	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)oc1-c1ccccc1	575793521	XGLDDQBJRIUAHT-UHFFFAOYSA-N	424.460	5.280	30	20	HKED	
Cn1c([C@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccccc2)nc2ccccc21	575810494	RSILBQKVNTZGON-JOCHJYFZSA-N	420.438	5.343	30	20	HKED	
N#Cc1ccc(CNc2cc(Cl)ccc2OC[C@@H]2CCOC2)c(C(F)(F)F)c1	578475154	WSDFUJFLWYNXBN-CQSZACIVSA-N	410.823	5.258	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)o2)cc1	580806371	LWRVFSFROXFLDQ-UHFFFAOYSA-N	423.428	5.460	30	20	HKED	
N#Cc1cc2c(nc1SCc1csc(COc3ccc(F)cc3)n1)CCCC2	585688796	KCICPHHVSUCHIJ-UHFFFAOYSA-N	411.527	5.299	30	20	HKED	
N#CCCCCCC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	588358203	ADXVLKRAIDRIQA-HSZRJFAPSA-N	424.589	5.176	30	20	HKED	
CSCc1cccnc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	589450866	ROOHERYVNKYNIM-LBPRGKRZSA-N	407.442	5.063	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CCC(c2noc3cc(F)ccc23)CC1	589602672	RPFSIZABPCMFNN-UHFFFAOYSA-N	408.383	5.049	30	20	HKED	
N#CCCC[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccccc1	590476547	ZNJGLXKIGSVKQL-KRWDZBQOSA-N	411.477	5.913	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1	603519519	VMETZLPHUFXFGT-UHFFFAOYSA-N	406.917	5.067	30	20	HKED	
CCCN([C@H](C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(C#N)c1	604038318	WRGMKWJAUDVZHW-CQSZACIVSA-N	411.354	5.168	30	20	HKED	
C=CCN(C(=O)[C@H](C)SCCCC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	604110731	YUIKNYXOCAVMFD-AWEZNQCLSA-N	405.545	5.159	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1Cl	604475220	ZYGZTUYSKFFNBH-FQEVSTJZSA-N	420.856	5.225	30	20	HKED	
C=CC[C@@H](C)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	604906140	QTIXOZKSFVKPIP-CYBMUJFWSA-N	406.408	5.436	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1	605050450	QQOIKVMRROBAIQ-ZDUSSCGKSA-N	414.365	5.439	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1	607402903	MIZJBMPTJNDVJW-UHFFFAOYSA-N	408.542	5.063	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1OCC	609068017	FLBXGOWWONABBE-UHFFFAOYSA-N	424.831	5.253	30	20	HKED	
CCN1CCc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc21	609074355	ZOSUMJANVJALRK-UHFFFAOYSA-N	413.546	5.485	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1cccc(OCCCC#N)c1	609101767	BUEMJQGFVMFVQX-HXUWFJFHSA-N	414.505	5.366	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CSCc3ccc(F)cc3)cc2F)c1	609104125	OSQKXAZLNIUUTA-UHFFFAOYSA-N	424.472	5.287	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCc1ccco1	609377417	FFMNXGSKSZKXCL-MRXNPFEDSA-N	408.548	6.076	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	609389514	VBUCUDSXUFZRRQ-KXBFYZLASA-N	419.015	6.557	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1	609403057	OVICBPRWMBZTDI-QUCCMNQESA-N	409.555	5.151	30	20	HKED	
Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1	609435331	HFVYCEFVQQGHMI-GOSISDBHSA-N	424.570	5.109	30	20	HKED	
C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	610016093	FMUMDOJYDWXNMI-INIZCTEOSA-N	401.441	5.641	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSC2CCCC2)c1	610143768	MTMUNHGLNXTKHJ-UHFFFAOYSA-N	423.582	5.415	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1	610319476	BADRYQTWABRSHJ-HNNXBMFYSA-N	421.526	5.298	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3coc(-c4ccccc4Cl)n3)cn2)cc1	611445612	NCMKBOQWKAODGF-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	613407220	MLOHZQSOBFJVCQ-QGZVFWFLSA-N	420.925	5.301	30	20	HKED	
C[C@@H](CN(C)C(=O)c1cc2ccccc2n1CC#N)Oc1ccc(Cl)c(Cl)c1	615890669	SMADRKJVRFIWDO-AWEZNQCLSA-N	416.308	5.011	30	20	HKED	
O=C(CCCOc1cccc(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	617008435	LXWJKSCSPHVBJY-VXGBXAGGSA-N	415.349	5.010	30	20	HKED	
COc1ccc2c(NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)ncnc2c1F	619621506	GNWHWAMJROFDTG-RKDXNWHRSA-N	411.321	5.099	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=O)N[C@H](CCC#N)c3ccccc3)c2)cn1	619806374	NMCKIPRRBPYNIC-OAQYLSRUSA-N	400.482	5.232	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	670221390	LHQJXUXVHDNRRJ-HUUCEWRRSA-N	418.385	5.007	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCc1c(F)c(F)cc(F)c1F	683570078	YOVOLKLYIFBKAJ-AWEZNQCLSA-N	408.317	5.044	30	20	HKED	
CC1(C)Cc2cc(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)sc2-c2ccccc21	726858283	HFWMGNJUWRJSTI-GOSISDBHSA-N	406.551	5.020	30	20	HKED	
CCN(Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12)C[C@@H](C)C#N	726961765	OMLCXVBJHQBZIT-AWEZNQCLSA-N	410.901	5.109	30	20	HKED	
CC(C)Oc1ccc(NC2=NN=C(c3cn(CCC#N)c4ccccc34)CS2)cc1	727462974	BGMDYKSNAWOPRA-UHFFFAOYSA-N	417.538	5.261	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OCc3ccccc3C)cc2)cs1	727781077	CTNVIMZBLHRSIF-SDNWHVSQSA-N	420.534	5.299	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc4ccccc4c3)cc2)c1	727980222	GMHOXKGWZJGCRL-UHFFFAOYSA-N	409.514	6.099	30	20	HKED	
C=CCSCCNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	729571958	TZQGCEITIVFHHZ-UHFFFAOYSA-N	419.469	5.093	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1	730994278	ISMJSORXQQWUHJ-AUECHBEKSA-N	407.926	5.792	30	20	HKED	
O=C(/C=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccc(C(F)(F)F)nc1O	731564700	PHRHRTMVBWYPQL-UXBLZVDNSA-N	417.358	5.420	30	20	HKED	
N#C[C@@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1ccc(Cl)c(Cl)c1	731644836	UXNXHGXYKVBNPQ-MONCILHSSA-N	416.695	5.589	30	20	HKED	
CCN(C(=O)/C=C\c1ccccc1C#N)[C@H](c1cccnc1)c1csc2ccccc12	732569920	AFIKGMZCLNYQFO-JKCKFMQZSA-N	423.541	5.819	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3ccncc3)c2c1	734306127	AFCGTLINEWKJLL-YFHOEESVSA-N	420.472	5.320	30	20	HKED	
C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(CC#N)C2CCCC2)c1=S	738256625	ORSKIGICMMZSHN-LJQANCHMSA-N	417.582	5.416	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)O)c2)cc1	741470777	VPSDAPQZVFJZCL-OBHPCNEJSA-N	402.446	5.110	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](c2ccccc2Cl)c2ccccc2OC)c1	741485551	WQLSNKDOQUFGGB-QFIPXVFZSA-N	406.938	5.406	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C	744015731	BUNSNOJQMVNPFK-INIZCTEOSA-N	423.394	5.192	30	20	HKED	
N#C[C@@H](C(=O)c1scnc1Cl)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	744938709	MKTGTWHNGHAIKL-UBHJFDHWSA-N	403.960	5.211	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	746779193	UWKPIEMCGKMNBL-RUZDIDTESA-N	412.489	5.342	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1sccc1C#N	748053310	CHZBKYHTACYAJK-UHFFFAOYSA-N	402.884	5.041	30	20	HKED	
C=CCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1	749841394	ZMYAMESZPJTUKP-JOCHJYFZSA-N	404.476	5.339	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1	752474884	YBDOBPCWUUUAPN-SFHVURJKSA-N	402.519	5.623	30	20	HKED	
COCCC1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCC1	761048056	KYTKGIHBQCUUTM-CQSZACIVSA-N	409.338	5.500	30	20	HKED	
N#Cc1ccc([C@@H](O)CNC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1	763226668	MZMRTLXDPHOGSQ-BWKNWUBXSA-N	415.924	5.148	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(C)Cc2cccc(Cl)c2Cl)c1=S	764854859	BINUGEJHWYPMCV-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	766275845	QRTJKELNUDMEDM-HXUWFJFHSA-N	402.519	5.656	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2c(C)cc(C)cc2Br)c1	770275510	UJQFTFIGZXRUMX-INIZCTEOSA-N	416.319	5.069	30	20	HKED	
N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc2cc(F)ccc2s1	770471764	XGCFLCJBTPDRDU-HRYODUOUSA-N	424.806	5.911	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1)c1ccc(F)c(F)c1	773473396	BZZDFZCPJLBOHI-FQEVSTJZSA-N	403.860	5.129	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(C(F)(F)F)CC3)n2)cc1	774063320	LIDNNIHIPVCYNY-XUJLQICISA-N	408.445	5.364	30	20	HKED	
CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	775983231	BYLUTJPLSPGQGE-XMMPIXPASA-N	413.521	5.147	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@@H](CC)Cc1ccccc1Br)c1ccncc1	776150761	UPIOMKSPWAHPKG-AZUAARDMSA-N	416.363	5.124	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(C)(C)c1ccc(Cl)c(Cl)c1	776574710	RYPSOQBRMUQSMV-UHFFFAOYSA-N	422.356	5.174	30	20	HKED	
CC(C)N1CC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1	776946863	CLYWBLDUGVPJJX-ZGNKEGEESA-N	415.940	5.084	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccccc1	777290238	FKSQZFANUMTYJT-KNQAVFIVSA-N	415.493	5.067	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCSCc1ccnc(Cl)c1	779610535	ABSCKCXHYVQPIL-CQSZACIVSA-N	420.991	5.042	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	779743438	XMDYZAMASZNVAM-XMSQKQJNSA-N	405.542	5.051	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780551847	IKWKKUTZJRRMHQ-QGZVFWFLSA-N	419.456	5.648	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2Cl)cc1C#N	782104149	UCZOFIXHHCFVCY-UHFFFAOYSA-N	416.865	5.211	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)ccc21	793349811	XFYAJGKEMFGXGO-UHFFFAOYSA-N	405.498	5.038	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(OC(C)C)c(Cl)c2)ccc1OC	793541189	PVDXJMFLRYEMJP-VQIMIIECSA-N	416.949	5.668	30	20	HKED	
COc1ccc(Nc2nc(COC(=O)C[C@@H](CC#N)c3ccccc3)cs2)cc1	795981754	PAMJEMSICYFYLM-QGZVFWFLSA-N	407.495	5.026	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	802042497	RUQJHSDEJUHCCT-BSRJHKFKSA-N	418.537	5.490	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)c(F)c1	803557000	VQRMKDVNTVHBCO-UHFFFAOYSA-N	414.889	5.249	30	20	HKED	
CCCOc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1	916311002	VHSUYXZDXBDVGM-UHFFFAOYSA-N	403.507	5.104	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2cccc3ccccc23)cc1	916708145	LMLJNTBRLFAMOU-RUZDIDTESA-N	421.500	5.696	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917043040	GFWNOEMJTTWSMF-IINYFYTJSA-N	417.899	5.215	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	918322731	KRBJNHHVJIKNIX-NOZRDPDXSA-N	409.489	5.256	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1	920109824	JOVQPJVKZOUADR-QFIPXVFZSA-N	400.478	5.045	30	20	HKED	
C[C@@H](Cc1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	921130782	CQEHLPNRVVCVKS-UWJYYQICSA-N	416.452	5.144	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1828827037	GWCUVCADDLOHQX-WEOAWCGQSA-N	412.618	5.121	30	20	HKED	
CC(C)c1ccc([C@@H](NCC(=O)Nc2ccc(CC#N)cc2)c2cccs2)cc1	15362370	QDPUBIPOALVVQT-XMMPIXPASA-N	403.551	5.255	30	20	HKED	
C=CCn1c(SCc2ccccc2OC)nnc1-c1ccc(Br)cc1	24670716	AGLJMRLMBDHOHB-UHFFFAOYSA-N	416.344	5.195	30	20	HKED	
COc1ccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1F	26195227	STFKSYJOUWKOET-HNNXBMFYSA-N	406.482	5.348	30	20	HKED	
CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161606	IGPVNXMEZZUTAA-UHFFFAOYSA-N	417.484	5.525	30	20	HKED	
N#CCc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	51285709	QHEWKLWZKYKMGO-MRXNPFEDSA-N	412.301	5.673	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	55771766	HTBPKJODCXEAQL-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3cc(C)cc(C)c3C2=O)cs1	141650718	QHJIVDXQTLKPCP-WOJGMQOQSA-N	418.518	5.412	30	20	HKED	
N#CCCCCSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1	195531925	MPQYXRIPJFCFJS-UHFFFAOYSA-N	417.332	5.135	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)o1	195632905	SSHDGBVZJCYGMF-YWZLYKJASA-N	416.443	5.148	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1	236651150	JYWSIZOYYQYDHF-UHFFFAOYSA-N	401.514	5.060	30	20	HKED	
COc1cccc([C@H](Nc2snc(Cl)c2C#N)c2cc(F)ccc2OC)c1	301485871	XCAVACIACDNHDB-KRWDZBQOSA-N	403.866	5.026	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1	303532321	WWYPJSOWTOGAEH-OAHLLOKOSA-N	421.349	5.056	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F	303919411	SQJFJCALRUUVFS-PZJWPPBQSA-N	404.416	5.679	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC(C)(C)C)cc1	429961278	DIWWXNOQKNDZEJ-UHFFFAOYSA-N	401.466	5.484	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1	433008911	FOLOSAPEXWRGJQ-KRWDZBQOSA-N	410.732	5.610	30	20	HKED	
CC(C)c1cnc(-c2ccc(NCc3cn(CCC#N)nc3-c3ccncc3)cc2)o1	433327158	RDOFNJUNPGOYDW-UHFFFAOYSA-N	412.497	5.249	30	20	HKED	
CC(=O)N(c1nc(COc2ccc(C#N)c(C)c2)cs1)c1c(C)cc(C)cc1C	434649731	CLFMJUFZOBSXGW-UHFFFAOYSA-N	405.523	5.512	30	20	HKED	
N#Cc1csc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1	437545421	HISQTMLTOYEDJH-UHFFFAOYSA-N	407.348	5.217	30	20	HKED	
CC[C@](C)(NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C)cs1	438040211	ZNNVIYXOYRXIEO-QFIPXVFZSA-N	406.511	5.562	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1F	438655060	IVGTXHRWSATDCY-HLVUACMISA-N	405.473	5.532	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)n1	442595947	DCRFMIAMHALVHQ-HNNXBMFYSA-N	405.281	6.055	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	460374201	KDKUHYVWOZIYGY-AYOQOUSVSA-N	420.479	5.312	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)c2c(C#N)cnc3c(F)ccc(Cl)c23)cs1	463078454	RWQGEQGPPFCONI-NSHDSACASA-N	404.898	5.089	30	20	HKED	
C[C@H](C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1)c1cccc(C#N)c1	463955500	PHLDWOYAMDLXJY-AWEZNQCLSA-N	401.466	5.716	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464410015	LQQAALXFUNYJCT-HNNXBMFYSA-N	423.416	5.391	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1cc(C(F)(F)F)ccn1	464420003	OSNASSBSUHUMJM-MRXNPFEDSA-N	407.351	5.399	30	20	HKED	
Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)C[C@H](CC#N)c2ccccc2)c1	466632346	IAUXBWYAGSGLQI-NRFANRHFSA-N	403.913	5.664	30	20	HKED	
COc1ccc(N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Cl	466886891	HIHCVMPGUBSVPO-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1c(F)cccc1F	469131240	ZDTWRSQAWVGOAH-AWEZNQCLSA-N	412.465	5.106	30	20	HKED	
C[C@H](OCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	469709515	KSLALVBCMVESLO-AWEZNQCLSA-N	408.445	5.255	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C	471284952	BCXKEQSDRWMRDL-DNVCBOLYSA-N	417.431	5.250	30	20	HKED	
Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	472014821	XTCXKKKTBOVYAK-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(OCC)c1OC(F)F	475561263	AYOAYDVPPOHIGY-UHFFFAOYSA-N	418.484	5.860	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1	475742330	OJPDQZPKMJKIOQ-UHFFFAOYSA-N	415.584	5.071	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C1CC1	477230339	CQUUAADVHIWHRD-INIZCTEOSA-N	416.550	6.007	30	20	HKED	
CC(C)c1occc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	479731230	UOLKARNTVSMFQQ-UHFFFAOYSA-N	419.428	5.593	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3cccs3)C3CC3)cc2F)c1	481598113	OKUYQFFBLPEIBS-QFIPXVFZSA-N	421.497	5.611	30	20	HKED	
COc1ccc([C@H](NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)cc1	482147982	FMXCNKQMZNIQRD-CABCVRRESA-N	424.316	5.041	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1cnc2ccccc2n1	483225101	DJXIHLLPNKESFY-OAQYLSRUSA-N	419.440	5.445	30	20	HKED	
COCCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CC[C@H](C)C1	484183236	XHNXNVJBYINBJJ-WMZHIEFXSA-N	421.541	5.001	30	20	HKED	
Cc1sc(NC(=O)C2(c3ccc(C#N)cc3)CC2)nc1-c1c(F)cc(F)cc1F	486225425	MTRARDSCQCKYSO-UHFFFAOYSA-N	413.424	5.078	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1	486333793	PWHAPQAVFAHYCO-UHFFFAOYSA-N	415.449	5.227	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1	486676931	OBSDOXUVJMYQDI-QGZVFWFLSA-N	402.441	5.536	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC)c1ccccc1	488724622	YITSULPUDXFJSK-OAQYLSRUSA-N	406.526	5.010	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	488780080	HHBLQXWTYTXLIL-QGZVFWFLSA-N	401.869	5.304	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccc(C)cc3)n2Cc2ccco2)cc1	489446278	HZUQDXYKIGJLEY-QFIPXVFZSA-N	414.534	5.430	30	20	HKED	
C[C@@H](Cc1ccncc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	493163344	YABPEHYQPQSJKL-HNNXBMFYSA-N	406.873	5.152	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F	494311975	MNNPJHJZEZQMIP-UXHICEINSA-N	405.404	5.041	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)c1ccccn1	496173579	VWTUDFXEXDLLGS-QFIPXVFZSA-N	407.429	5.551	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2c(F)cccc2Cl)cc1C	496771023	RDKSLVRXCMARSV-UHFFFAOYSA-N	424.907	5.145	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	497160996	KQGSZSNNONBOPY-SFTDATJTSA-N	420.513	5.177	30	20	HKED	
CC(C)CN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(C#N)cc1	499324680	BGDQBMBUBZZSSB-UHFFFAOYSA-N	409.436	5.113	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2C)c1	502430752	IWCWOXWNHFZTPG-UHFFFAOYSA-N	401.510	5.579	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	502623526	RDJGXGUCKYBKEK-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1	505830430	CQEFZRAWFOTFSL-FQEVSTJZSA-N	417.534	5.293	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Cl)ccc1Br)c1cccc(C(F)(F)F)c1	505934381	YLFSNBQZJRVWQL-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cscc1Br	506804017	JCKBKJHSXXHCAB-UHFFFAOYSA-N	413.296	5.735	30	20	HKED	
Cn1cccc1[C@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509921414	ZOMLPDCGQRBNSQ-XMMPIXPASA-N	414.509	5.039	30	20	HKED	
CN(Cc1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510007233	UCOVGTYQDGPSPV-FQEVSTJZSA-N	407.876	5.798	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N	510173049	QFVMGCAVUMGJAK-UHFFFAOYSA-N	401.535	5.783	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)ccc2C#N)cc1	510183916	GYEVMUZEOBCXLS-OAHLLOKOSA-N	405.548	5.461	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C(F)(F)F)nc1C	510284853	ZBWWNLUKJYUOPM-UHFFFAOYSA-N	411.383	5.634	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511544394	YZGPCTYGHKTSTJ-MRXNPFEDSA-N	422.344	5.680	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)oc2ccccc12	512494600	QOQIVSHBBFWRMM-QGZVFWFLSA-N	418.474	5.201	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)NCC(C)(C)CCC#N)nc1-c1ccccc1	513119049	SXJBXNITQWQWPV-LJQANCHMSA-N	408.546	5.641	30	20	HKED	
Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1Br	515542632	REDPNNWZQSUDMH-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)n1	518469977	IUXPXTPUGDPOES-UHFFFAOYSA-N	422.488	5.334	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1	518670647	GSEKADZHEKSUQP-KGLIPLIRSA-N	416.568	5.022	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccc(C#N)cc1	518829313	OUUDLINGKOIWRA-HNNXBMFYSA-N	405.477	5.063	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	519251942	VFRQJXCGXHGXHM-MRXNPFEDSA-N	407.351	5.399	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc2ccccc2nc1O	520388201	HWEDLEZWQUTTIX-HNNXBMFYSA-N	423.563	5.064	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1	520856523	IRKNXHAQVDHVIC-UONOGXRCSA-N	405.470	5.422	30	20	HKED	
C[C@@H](N[C@H](Cc1ccccc1Cl)c1ccccc1)C(=O)Nc1ccccc1C#N	521727916	ZOVBLXWGQQEYKL-UZUQRXQVSA-N	403.913	5.112	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	522529978	KWAPIPFRRQXNHA-UXHICEINSA-N	418.443	5.466	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	525133101	FZUIGXHPXYMFJZ-OAUYIBNBSA-N	405.350	6.130	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1	533892680	KPYYHCGEARJTSU-UHFFFAOYSA-N	415.518	5.009	30	20	HKED	
N#Cc1ccc(-c2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)cc1	534452641	YMSOZOKHUQPXAX-UHFFFAOYSA-N	407.458	5.461	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3csc([C@H]4CCCO4)n3)c2C#N)C1	534463975	QAPHWBQITLPBQV-BLLLJJGKSA-N	415.584	5.331	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C1CC1	534964014	BSWUSHSHZPGCAR-INIZCTEOSA-N	415.497	6.039	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	539282400	ONYGXCZFSBLQCQ-CQSZACIVSA-N	414.481	5.734	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)CC2)cc1	548030901	BSXUJLFKEXCCDJ-UHFFFAOYSA-N	417.472	5.086	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H](CCCC#N)c1ccccc1	550830962	NZIAZCFLLNFVIH-OXJNMPFZSA-N	414.347	5.191	30	20	HKED	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	558713948	DLSFUJOUACSRFB-JLTOFOAXSA-N	406.917	5.468	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc([C@@H](C)OC)c1	559293674	MLVHHUCSBZPGJE-CQSZACIVSA-N	421.310	5.516	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	563993289	CFOOSNHPHUBJMM-UHFFFAOYSA-N	413.452	5.586	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@@H]1c1ccccc1	564431352	BSWZFDKAALIQIK-KOSHJBKYSA-N	412.493	5.403	30	20	HKED	
Cc1c(NCc2ccc(Br)cc2C#N)cccc1NC(=O)c1ccccc1	577300492	VEWJGRUWWJTOPN-UHFFFAOYSA-N	420.310	5.494	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCOc4c(Cl)cccc43)cc2)ccn1	578055000	WDIYRFOEMZQMML-FQEVSTJZSA-N	420.856	5.044	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	579433398	SQKDDITYHSUATJ-UHFFFAOYSA-N	410.477	5.023	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CC1	601151597	MLJPBKFAHULWBM-UHFFFAOYSA-N	402.292	5.066	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1OC(F)F	603691561	IRECJJFBOHKQQC-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cn2)c1	603740171	SDDNQBZDJSKAER-UHFFFAOYSA-N	416.440	5.699	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(C)c1	604083583	NCIYEYSCNHZTRM-KRWDZBQOSA-N	404.539	5.447	30	20	HKED	
COc1ccc(N(CC(C)C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	609056595	QDTRAQYJHHKWPY-UHFFFAOYSA-N	404.466	5.042	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3Cl)o2)cc1	609071484	AJSADPSFHHMUBG-LJQANCHMSA-N	420.896	5.231	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	609298229	GNGUUGLNHRHLCK-RTBURBONSA-N	400.503	5.136	30	20	HKED	
CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	609376869	KPKMPTAUUGLBNV-HUUCEWRRSA-N	413.568	5.016	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](CC(F)(F)F)c2ccccc2)c1	609433180	DLIQMEXQASEHGV-QHCPKHFHSA-N	410.439	5.921	30	20	HKED	
CC(C)OCc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609501735	HJFBBDRPJOZPSU-UHFFFAOYSA-N	400.478	5.722	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2)cc1	609504395	NOCORWNRWXVSCU-JOCHJYFZSA-N	424.422	5.968	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1Br	609591174	QDYZRBZOYXHMRR-OAQYLSRUSA-N	403.279	5.015	30	20	HKED	
CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1cccnc1	609683577	ZYEWXMMEXGQWTL-LJQANCHMSA-N	414.509	5.342	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1	610019832	VYLIFLLESGJHJE-UHFFFAOYSA-N	423.391	5.064	30	20	HKED	
C[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1cccc(C#N)c1	610359112	DLXSXKJZLDGPDZ-MRXNPFEDSA-N	412.518	5.218	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)c3ccccc3-c3ccccc3C#N)cc2)cs1	610435892	MQBQGRFAPCJORN-UHFFFAOYSA-N	423.541	5.630	30	20	HKED	
CN1[C@H]2CC[C@H]1CC(c1noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n1)C2	612955122	VEQUAFWGAWGUHL-IRXDYDNUSA-N	420.900	5.394	30	20	HKED	
C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(C)c(-c4ccccc4)sc3n2)c1C	614109024	QWAHBSMWWWUXIN-UHFFFAOYSA-N	417.534	5.402	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](c2ccco2)C1	614137907	YSVWQETUSBSFKP-OXQOHEQNSA-N	402.454	5.344	30	20	HKED	
N#CCCn1cc(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)c2ccccc21	648910879	QZGKRBIXRUQJQU-UHFFFAOYSA-N	405.454	5.324	30	20	HKED	
CC[C@H](C)[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)F	683632047	LGEUWTHXRCHAED-KBIXCLLPSA-N	416.328	5.172	30	20	HKED	
O=C(Cc1cccc(Cl)c1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	685604933	DFJMPDAVGOULFR-URLYPYJESA-N	405.741	5.047	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1	726911806	RDIDADYUIDBOCG-UHFFFAOYSA-N	400.459	5.398	30	20	HKED	
CC(=NNc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C	727257865	HTCZTFQGEAJNMA-UHFFFAOYSA-N	406.383	5.097	30	20	HKED	
COc1cc(/C=C2\CCc3nc(-c4ccc(C)cc4)sc3C2=O)cc(OC)c1O	727655313	VNQABAOLSYJJQY-MHWRWJLKSA-N	407.491	5.054	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1F	727978913	OESNIEQCJDRJNQ-UHFFFAOYSA-N	405.498	5.702	30	20	HKED	
CC(C)c1ccccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1	728200626	MIODCGMRYADORQ-UHFFFAOYSA-N	417.484	5.450	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2ccccc2C(F)(F)F)nc(-c2cccnc2)n1	733080437	WZHDEFGMOVMKPL-UHFFFAOYSA-N	411.309	5.022	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F)c1ccncc1	734666381	DCTPXPWPQKHOEG-LJQANCHMSA-N	407.436	5.004	30	20	HKED	
CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	735567935	XTOOPZSYZRAOKB-IZZNHLLZSA-N	424.548	5.777	30	20	HKED	
CC(C)(CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)NC(=O)OC(C)(C)C	737555771	XZLOPWXKXZYVMU-UHFFFAOYSA-N	423.513	5.373	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(C#N)cc1	739988598	CJLWPMBCYMZJDL-QFIPXVFZSA-N	417.852	5.202	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C/c2ccc(C#N)o2)SC1=S	743282475	NIUNAPCHZHCTCU-KLLFSAEGSA-N	409.319	5.420	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744062739	KAUBCGFRWVCWSE-IVOILVROSA-N	413.424	5.504	30	20	HKED	
CC(C)CCc1nc(COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cs1	745002814	TTXWDCPHCIDEIL-UHFFFAOYSA-N	407.495	5.148	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)c1)C(=O)O	745020458	FKJQPXYJAWVUJG-RBJHHQRMSA-N	419.458	5.304	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnn(-c2ccccc2)c1	746349323	WIZWTPPIUUUGBL-YPKPFQOOSA-N	417.472	5.016	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1	746577715	XTYFAQQVEOJUKD-UHFFFAOYSA-N	419.355	5.126	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C	750912139	CNBJXOQDBDSMTI-WZUFQYTHSA-N	409.417	5.256	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccccc1Sc1ccccc1C#N	752274165	JNLPVZABPFPQKM-QAPCUYQASA-N	408.548	5.013	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C2SCCS2)c1	752623858	BLZMKFSBUGJJCH-WOJBJXKFSA-N	409.580	5.469	30	20	HKED	
CCN1C/C(=C\c2cnc(C(C)C)s2)C(=O)/C(=C/c2cnc(C(C)C)s2)C1	758422573	DLNRWUPBAYBZAC-BGPOSVGRSA-N	401.601	5.218	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@H](c2ccsc2)O1	760007416	KIMMRRFXXSRICS-MQNAVGNWSA-N	417.534	5.397	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1	760248765	LNZMGJCCMSEFND-UHFFFAOYSA-N	415.858	5.239	30	20	HKED	
C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	762972053	FONJTIURLZUPSC-NHYWBVRUSA-N	421.469	5.177	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nc1Cl	766840826	JOPIAMDTSUNFHH-GFCCVEGCSA-N	404.278	5.011	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)c1c[nH]c2ncccc12	767890003	LIVRUWFAYHEAMM-KRWDZBQOSA-N	410.477	5.005	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Br)s2)ccc1OC	772977589	BDPJAKRXJIRKQN-JSGCOSHPSA-N	409.349	5.051	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2cccc(F)c2)o1)c1ccc(C(F)(F)F)cc1	775552226	GPZLJMIDJBXWTK-SFHVURJKSA-N	405.395	5.692	30	20	HKED	
COc1cccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c1	776164636	UZBRUMRMDLVPRF-MZNJEOGPSA-N	406.913	5.691	30	20	HKED	
COc1ccc(SCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	781451618	NVQBZXNKQBOCGH-INIZCTEOSA-N	415.465	5.189	30	20	HKED	
C[C@H](NC(=O)/C=C\c1cnc2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	782485849	NFIVJDOEUCLNTD-HWOXTHGCSA-N	404.473	5.059	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2ccccc2n1CC(F)(F)F	786277014	ORUROASPDCVKBV-INIZCTEOSA-N	423.394	5.199	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nccc2ccccc12	792095560	LQKMCTHWRUJLBI-NLFFAJNJSA-N	414.411	5.510	30	20	HKED	
N#C[C@H](C(=O)[C@H](c1ccccc1)N1CCc2ccccc21)c1nccc2ccccc12	792096801	RQOZYEMFHSUWFB-OZXSUGGESA-N	403.485	5.215	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3ccccc3)c(C)n2)c1	810275737	XEQWSLIAKLKVPH-FQEVSTJZSA-N	400.482	5.060	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	812309695	JBXHXCMDIMCUNN-CYBMUJFWSA-N	409.338	5.465	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)c1	815593840	ZCBKDYXIZQUETF-DHLKQENFSA-N	400.522	5.537	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c2ccccc21	816794662	XNSBHOLBVIZCSI-FTJBHMTQSA-N	423.516	5.150	30	20	HKED	
CCOc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)cc(Br)c1OC	861416488	SYNOUJWDVVRAHP-MDWZMJQESA-N	421.262	5.044	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C#N)C1	875468698	VFCOYVHAGQNXFU-ZDUSSCGKSA-N	406.507	5.129	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc2c(c1)Cc1ccccc1-2	916939794	UDVLVOHGSXHQGK-LJQANCHMSA-N	404.828	5.011	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3nc4ccccc4s3)n2)cc1	916973330	WJJCJCXHZUIEGU-OFAQMXQXSA-N	401.516	5.618	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)ccc2c1	917040257	JAPBGVCFKRLEPK-ABMFHFBKSA-N	417.415	5.483	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1	917047125	RLSFVPXAQBVNJL-VGVVRCBHSA-N	422.815	5.738	30	20	HKED	
N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc2ccccc2o1	917510046	JJEUZUSKPJAVKZ-FQEVSTJZSA-N	423.447	5.924	30	20	HKED	
Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)sc2c1	1790946912	QZRNVWXLXZHRLR-UHFFFAOYSA-N	417.534	5.261	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1	1823702094	UXDGRLDBZPLXTE-DEOSSOPVSA-N	408.586	5.010	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(F)cc1	6096921	RINAOBAZFAJDGN-QGZVFWFLSA-N	424.545	5.315	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)c1	10172636	RADOCSCDZVBFJA-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1	12831856	RCNPSOWCLWLZQE-UHFFFAOYSA-N	415.522	5.482	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(C)cc2C)cc1	22729488	YVVKSUXGSCESRC-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(C)cc1C	23603706	BOKXNFDFINTLRO-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
COC(=O)c1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1Cl	26883712	LPFBXQFIQKLINF-UHFFFAOYSA-N	422.893	5.402	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1	32057582	LPBZWNAXXGVXKD-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n1	45795611	CXSMJMYZBRYGGZ-NSHDSACASA-N	422.407	5.631	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1	65680237	FPUAFEPLNLODFR-UHFFFAOYSA-N	411.486	5.655	30	20	HKED	
COc1ccc(-c2nc(NC(=O)CCCCOc3cccc(C#N)c3)sc2C)cc1	78875629	ZKHSSSBXKXGEKH-UHFFFAOYSA-N	421.522	5.187	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1	303067236	WEILAYGDKRHHJG-SFHVURJKSA-N	401.457	5.648	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C2SCCS2)cc1	303276259	IXYZCJHOARTQQF-CQSZACIVSA-N	400.594	5.669	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2ccccc2)n1	303422816	YVUCPRJXPUFSBM-INIZCTEOSA-N	423.563	5.608	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1	303618871	WQGARNNSUGCDCU-OAQYLSRUSA-N	400.503	5.104	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	303644131	IGOAXAQGAGXMNT-RTBURBONSA-N	404.416	5.679	30	20	HKED	
C=CCN(C(=O)CC1CCC(c2ccccc2)CC1)c1nc(C(=O)OCC)cs1	409479979	ZWXKRBAGVLZAOI-UHFFFAOYSA-N	412.555	5.203	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1	410374047	LUCOJEBSDPJYBH-LJQANCHMSA-N	404.558	5.184	30	20	HKED	
CSc1nnc(CCCNc2cc(C#N)ccc2C(F)(F)F)n1C1CCCC1	427505066	GPBUVOULCYDXJM-UHFFFAOYSA-N	409.481	5.050	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)c1cccc(SCC#N)c1	429923090	KCVYEJUVTVCOPM-UHFFFAOYSA-N	403.345	5.116	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccccc1	431317572	YVYAXTIUONYPBT-HXUWFJFHSA-N	424.957	5.698	30	20	HKED	
C=CCC[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1	435277354	IYSHSBFCBCESJK-GOSISDBHSA-N	413.930	5.306	30	20	HKED	
CCN(Cc1cccc(Br)c1)C(=O)N[C@@H](CCC#N)c1ccccc1	438864128	ZTIRDPXUIZCBLW-IBGZPJMESA-N	400.320	5.026	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cn1	439309222	DSUKUDRFLJPVBZ-HXUWFJFHSA-N	416.481	5.358	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@@H](CCC#N)c3ccccc3)ccc21	439678599	PXCRQXZKAAXPCQ-KRWDZBQOSA-N	414.431	5.411	30	20	HKED	
CCN(c1ccccc1)S(=O)(=O)c1ccc(S[C@H](C)c2cccc(C#N)c2)nc1	443133113	NJDIOKAIIDJUKZ-QGZVFWFLSA-N	423.563	5.022	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)c(F)c1	445784365	SADRHVDLNAGNQI-UHFFFAOYSA-N	419.362	5.568	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C)OCC	464233301	URUDJUNBJPXYFR-FQEVSTJZSA-N	400.906	5.211	30	20	HKED	
COc1cccc(OC)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	464922034	PINUYYQNWXSBJP-FQEVSTJZSA-N	420.896	5.194	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccc(F)cc1	466616988	GTRGJFZGBNJZQW-HNNXBMFYSA-N	421.501	5.482	30	20	HKED	
C=CCOc1ccc(CN(C(=O)Cc2csc(-c3cccnc3)n2)C(C)(C)C)cc1	467872687	DJGFMSDLIRYPFM-UHFFFAOYSA-N	421.566	5.140	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCC2(CCCCC2)CC1	470916679	ITKTWUMBIAIWCZ-QGZVFWFLSA-N	413.587	5.029	30	20	HKED	
Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)n(-c2ccccc2C(F)(F)F)n1	475526530	FWXGWIYCHQSIKW-QGZVFWFLSA-N	412.415	5.226	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1	475662981	SNLLXGJYFWUHRF-LJQANCHMSA-N	417.431	5.112	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nc(SCc2ccccc2)ns1	476473492	TVLGXNLNKAKAGX-UHFFFAOYSA-N	423.567	5.145	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1	476921689	HFJRPWJNNJMJKB-UHFFFAOYSA-N	419.453	5.697	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)o2)cc1	482064953	WHSDVYMPMKQXTE-UHFFFAOYSA-N	402.450	5.138	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	482837643	GXGMMLVJLIEAOT-MRXNPFEDSA-N	401.466	5.195	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1cc(C)nc2c1cnn2Cc1cccs1	482849717	LAWXWJRBOYVARN-UHFFFAOYSA-N	408.571	5.058	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(F)F)CC2)cc1Cl	483056786	WQUDCHLDNAYBFK-GOSISDBHSA-N	403.860	5.504	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1	488968485	AQLMVEVGFZJJIU-PWUYWRBVSA-N	403.547	5.683	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)c1C	499376296	WFNLCGCTIUNBDB-MRXNPFEDSA-N	418.566	5.556	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	500305974	MBUKSBAIUOCMKR-UHFFFAOYSA-N	417.557	5.306	30	20	HKED	
Cc1cc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)s1	502218760	ASCMNZCVLXKJLA-KRWDZBQOSA-N	419.550	5.893	30	20	HKED	
COc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC1CCCC1	503770239	MHYCMTVDTMLENO-UHFFFAOYSA-N	421.541	5.008	30	20	HKED	
C[C@H](Sc1nncn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	504516399	UEZPDQQFHOPDEM-ZETCQYMHSA-N	423.304	5.731	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2	505016050	BAAUEHJQNLPKLQ-VXKWHMMOSA-N	417.553	5.105	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1cccc(C(F)(F)F)c1	505933769	MYDKADTWKFBMEX-OAQYLSRUSA-N	410.395	5.279	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)cs2)cc1	509575260	NNNMOXAAPFZGLL-MRXNPFEDSA-N	405.523	5.304	30	20	HKED	
Cc1cc2cc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2[nH]1	509954628	KMXNGQKZMGWMIG-UHFFFAOYSA-N	412.468	5.721	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(OC(F)F)c1	510457295	YFKNYRINTNRRJQ-OAHLLOKOSA-N	422.300	5.154	30	20	HKED	
Cc1ccccc1N1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1	517131532	NHRKAWBOQASUSL-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cc1	517572295	HYWCVKQKHUJLFL-MRXNPFEDSA-N	417.465	5.290	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1	518170110	YJGYLVXOFLOGBF-HUUCEWRRSA-N	421.488	6.182	30	20	HKED	
COc1ccc2cc(CN(C)C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2c1	518681708	GPOQVZWRNVGGGR-QGZVFWFLSA-N	419.550	5.764	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc(C)nc21	518739218	UAFZHOWHQYTQHE-CVEARBPZSA-N	407.543	5.357	30	20	HKED	
N#CCN(C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)C1CC1	521602153	VXSDLDGTMKADOP-UHFFFAOYSA-N	417.321	5.036	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc2ccccc2nc1O	522056650	CFXYPVRUFYPIPN-HNNXBMFYSA-N	423.563	5.207	30	20	HKED	
C[C@H](Sc1nnc(S[C@@H](C)c2ccc(C#N)cc2)s1)c1ccc(C#N)cc1	522822989	CVWFMNLJAIKJDZ-KBPBESRZSA-N	408.577	5.988	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	523184468	FAOFPGGJSKBFGG-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	525151391	QHFCSDBNTDJPBG-UHFFFAOYSA-N	414.292	5.404	30	20	HKED	
N#CC1(CCCN[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CCOCC1	537507787	QJRLRTRLMOUCAD-OAQYLSRUSA-N	403.353	5.773	30	20	HKED	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccc(OCc2ccccc2C#N)c1	538759165	IBCDVOIWADCKTI-WWOZWPLTSA-N	418.562	5.068	30	20	HKED	
C=CC[C@@H](CO)CNC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	540355876	AETVVPOAGBFUCX-QGZVFWFLSA-N	424.520	5.038	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542066227	YBCGUDINKRAILF-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1	543351643	MINCVASEPRRPDJ-QFIPXVFZSA-N	407.514	5.076	30	20	HKED	
COCC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	551639750	NCBZVYWEHCTTHN-UXHICEINSA-N	420.340	5.415	30	20	HKED	
CN(Cc1cc2ccccc2o1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	553365942	ATXQEXBQTXDDRD-UHFFFAOYSA-N	421.928	5.223	30	20	HKED	
N#CC1(c2ccccn2)CCN(c2ccnc3ccc(Oc4ccccc4)cc23)CC1	558568636	TWTBJLYQHCVWHC-UHFFFAOYSA-N	406.489	5.484	30	20	HKED	
CO[C@H](c1ccc(Br)cc1)c1noc(-c2ccc(C(C)(C)C#N)cc2)n1	589140831	LHKFDWOBGGYHBG-QGZVFWFLSA-N	412.287	5.036	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)CC2	589343268	GIELPGXPLMTTSV-ZWKOTPCHSA-N	409.249	5.591	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	589363455	QAPMATSTMGTEEE-UHFFFAOYSA-N	416.481	5.245	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	590016520	QTRXRYWBLVIYNC-JKSUJKDBSA-N	412.238	5.284	30	20	HKED	
C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	592825142	QNTOUJQIOZUXSA-GOEBONIOSA-N	403.979	5.012	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc2cc(F)ccc2s1	592974243	PTNRVBGEBZPGPW-KRWDZBQOSA-N	415.449	5.178	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1	596031497	WNOFPSJYJQLQLH-QGZVFWFLSA-N	407.514	5.129	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603624206	WKHPZLLILMNCMN-UHFFFAOYSA-N	418.503	5.491	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(C)o2)C2CC2)cc1	604562096	DMDMDVSCLPYDTO-UHFFFAOYSA-N	417.465	5.457	30	20	HKED	
O=C(Nc1cccc(F)c1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F	608762822	QTPZPELKJRWMBB-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cccc(COC3CCCCC3)c2)cc1	609097565	GXLAFGXRWBBCLU-DEOSSOPVSA-N	403.526	5.015	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c(F)c1	609389254	GPWGLXCXLLGKKQ-KGLIPLIRSA-N	406.523	5.792	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1	609398041	DCRAJSSQEPHYBC-IAGOWNOFSA-N	420.538	5.491	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1	609711722	NIIKGNBUOQCUJJ-OAQYLSRUSA-N	414.465	5.081	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2n1C	609839100	IGNZDODTVYEWEO-MRXNPFEDSA-N	412.518	5.087	30	20	HKED	
CCOC(=O)CCc1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	610095090	GNJXORZEOWUTNB-MRXNPFEDSA-N	411.527	5.078	30	20	HKED	
COc1ccc(-c2nc(CSCCOc3ccc(C#N)cc3OC)cs2)cc1	610136683	ADBFHPHZOQZYBL-UHFFFAOYSA-N	412.536	5.011	30	20	HKED	
C[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(C#N)c1	610360475	XAVVEYLTMRSFCR-ZDUSSCGKSA-N	415.440	5.120	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)o1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618298638	SOMCXMPDWFLHQS-VXGBXAGGSA-N	409.301	5.289	30	20	HKED	
Cc1ccc(SCc2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2)cc1	619818411	GUKMYTLGJPKFCT-DEOSSOPVSA-N	417.582	5.057	30	20	HKED	
CC(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F	671860112	VVFOSRGBBVACLE-UHFFFAOYSA-N	408.816	5.598	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1NC(=O)c1cccs1	677556986	ADFGNJGVKAXTJW-GOSISDBHSA-N	411.486	5.347	30	20	HKED	
COC[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1	678766125	FAPUTZIYWDFDGM-PGUXBMHVSA-N	405.329	5.151	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	682777177	HLJDMLIHAWEECD-GASCZTMLSA-N	408.386	5.743	30	20	HKED	
Oc1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C(F)(F)F)c1	685612681	ROSYZWWAVQMSKN-GHMZBOCLSA-N	409.292	5.410	30	20	HKED	
C[C@]1(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCCc2ccccc21	726322184	HEUDRCRXFLJGMQ-BTYIYWSLSA-N	414.452	5.786	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3C)n2)cc1	727626653	FANQOJSMXMPROD-MGPUTAFESA-N	417.534	5.593	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)c1	728480099	DBVVAFWPGIDGLT-SFHVURJKSA-N	418.566	5.043	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1c(C#N)c2n(c1C)CCC2	730086317	ZXOREOPPJLXVKX-ZHACJKMWSA-N	418.928	5.026	30	20	HKED	
COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	730181465	RHADNXRICXYKBK-CYVLTUHYSA-N	412.489	5.273	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OC2CCCC2)c1	731287755	JOCWGIYGWJPERE-KRWDZBQOSA-N	417.292	5.276	30	20	HKED	
CCn1cc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cn1	732530024	HKHYWBXOGCZCSW-ZROIWOOFSA-N	414.328	5.002	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1	733806241	XVYRLQUJEIKZBU-APWZRJJASA-N	415.946	5.057	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	735746425	ZCXVKFNBVAEVDF-PXAZEXFGSA-N	424.353	5.243	30	20	HKED	
CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	737804877	AABPBRSQGSMJLY-UHFFFAOYSA-N	412.493	5.036	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccccc1C(F)(F)F	744029133	OQWURYPIAMMERF-KBXCAEBGSA-N	416.443	5.281	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)c1ccc(Br)s1	744357266	IDAJYOHTTIVSGD-SECBINFHSA-N	414.708	5.143	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)OCc1ccc(-c2ccccc2C#N)cc1	745486913	BNLULUXWIBAXOW-KRWDZBQOSA-N	401.437	5.317	30	20	HKED	
COc1ccc(CNC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	745724545	TUACGBATRUSXGC-UHFFFAOYSA-N	419.525	5.096	30	20	HKED	
C[C@H](CCC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	750312937	LVPWJGMBIOUDNB-PBHICJAKSA-N	405.523	5.036	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cn1nc(-c2cccs2)n(C2CC2)c1=S	751933627	KWKBDYGSMUBBOR-RTBURBONSA-N	421.595	5.207	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ccc(F)c(F)c3)n2)cc1	756242619	HPXCPNKVQZXEOA-QGZVFWFLSA-N	412.461	5.296	30	20	HKED	
C#CC[C@@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C)c1ccccc1	757029759	CKUHLPFLVCJPHL-LAUBAEHRSA-N	419.550	5.252	30	20	HKED	
C#CC[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	757578244	KBISWUVTSSGRGR-IBGZPJMESA-N	413.304	5.462	30	20	HKED	
Cn1c(CC(=NOCc2csc(C3CC3)n2)c2ccccc2)nc2ccccc21	758422292	XZZSWBGMJRYSCF-UHFFFAOYSA-N	402.523	5.071	30	20	HKED	
CCCn1ccnc1CCCN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	760050541	ZNIWNVZKXJNHPW-HSZRJFAPSA-N	415.541	5.045	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(Cc2noc(/C=C\c3ccccc3C#N)n2)cc1	762285398	WOLCXIKFPYQKEE-RAXLEYEMSA-N	402.454	5.049	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1	764758117	GNWGRYXCFBKOFC-HUUCEWRRSA-N	400.425	5.597	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	765139233	WKVFDYKEQVRKKN-SDHSZQHLSA-N	411.505	5.384	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1	768971406	VHZQEDTYYCLHAV-GOTSBHOMSA-N	403.526	5.345	30	20	HKED	
COCc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	770417892	KPSMHURITJWNFY-UHFFFAOYSA-N	405.429	5.067	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771097556	JRRPUHZNLLPOLY-IZKUIKQZSA-N	418.468	5.127	30	20	HKED	
CCCCCCCCC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1	774576830	VPRAUARJGWKTOS-UHFFFAOYSA-N	412.496	5.177	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1	775486470	BLIYZFKWFOJVKA-SQHAQQRYSA-N	423.516	5.395	30	20	HKED	
C[C@@H](NCc1ccccc1COc1ccccc1Cl)c1ccc(OCC#N)cc1	776162343	FXURBYSOQMOMDZ-GOSISDBHSA-N	406.913	5.672	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	779713173	QHUGFUZRUAZNEL-RYUDHWBXSA-N	403.269	5.507	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1	780588992	ZKUFWOHBSZFVLQ-MRXNPFEDSA-N	412.449	5.353	30	20	HKED	
C=CC[C@H](NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1ccncc1	782292307	OXNYLXZZDQBEPO-KRWDZBQOSA-N	401.388	5.111	30	20	HKED	
Cn1nc(Br)cc1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2s1	782299918	AUMAKCQLQNYMSL-RVDMUPIBSA-N	424.323	5.216	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C1(C)C	783070750	WJUAGVPQVAEEKU-RDBSUJKOSA-N	408.445	5.133	30	20	HKED	
CCc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1CC	784949749	IWPMFWJXDDAJTN-DEOSSOPVSA-N	411.505	5.044	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1O	788758932	SHSMZYCOXHNWSK-CQSZACIVSA-N	417.431	5.167	30	20	HKED	
N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1nccc2ccccc12	792093509	XGBIFKKYJKCMAU-FQEVSTJZSA-N	423.310	5.423	30	20	HKED	
N#C[C@@H](C(=O)CO[C@H]1CCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	797552143	UAPZJGPJANMXSJ-KKSFZXQISA-N	424.472	5.359	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)OCCCC2(C#N)CCOCC2)n1	800079332	AANZRLYNJSXZPO-UHFFFAOYSA-N	416.568	5.001	30	20	HKED	
C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	803835528	RQJNVZITDBIPCX-OAHLLOKOSA-N	420.852	5.188	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCNC2=O)cc1)=C\c1cccc(C(F)(F)F)c1	806573014	VGKIDCFPIWGAKR-FZBBFINZSA-N	400.400	5.077	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(F)(F)F	808833637	ZBZKNNIQWOXLIH-QMMMGPOBSA-N	411.277	5.104	30	20	HKED	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140769	JNIVPHCIDLZEFB-LOODEUFTSA-N	421.566	5.335	30	20	HKED	
COc1ccc(OCc2ccccn2)c(C=NNc2cccc(C(F)(F)F)c2)c1	921252370	CNZWRBKPYBRBLR-UHFFFAOYSA-N	401.388	5.134	30	20	HKED	
C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCCC1	1723987388	SPPPDDUUMPROQO-JKSUJKDBSA-N	401.942	5.000	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cs3)cc2)CCC1	1786488011	RXPRGWHIQNVJHM-UHFFFAOYSA-N	404.482	5.016	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1	1791249967	FBOBVYTVOKPOLX-QGZVFWFLSA-N	401.510	5.128	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cscc2C)[nH]n1	1814442146	MLQQSSHKQDTYHN-SFHVURJKSA-N	414.575	5.078	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)n(C)c1C)[n+]1ccccc1CC	10174321	ZSNVRONICNGXQZ-UHFFFAOYSA-O	420.602	5.105	30	20	HKED	
C[C@H](OC(=O)CSc1cccc2cccc(Cl)c12)C(=O)Nc1ccccc1C#N	21458117	YCGUIBLEKNZTPD-AWEZNQCLSA-N	424.909	5.027	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cc(C)ccc2C)cc1	22729820	MAHVQIVFQLURQC-UHFFFAOYSA-O	423.627	5.964	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(CC)CC)cc1	22804611	FTPJDPLBBOIOBK-UHFFFAOYSA-O	405.534	5.094	30	20	HKED	
CCCc1ccc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2cccs2)cc1	24084664	CAYAEZJPMPIVIP-VWLOTQADSA-N	403.595	5.930	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	61163262	JOACMZNGMCFYNG-UHFFFAOYSA-N	419.550	5.646	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1	65414438	DWTBJBJKHACVDZ-LADGPHEKSA-N	415.468	5.148	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2-c2cccs2)c1	65774606	NNTPVUWEVKYAGP-UHFFFAOYSA-N	410.498	6.118	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(OCc3cccc(F)c3)c2)cc1	108376690	BDOHITJOGKHAEG-UHFFFAOYSA-N	406.482	5.148	30	20	HKED	
C=CCn1c(SCCCOc2cccc(Cl)c2)nnc1-c1ccccc1OC	109264522	NNZAPLCSXOLSQK-UHFFFAOYSA-N	415.946	5.354	30	20	HKED	
CC(C)n1cc(C(=O)/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1	214918696	STFPVGZJGGUIGH-CLFYSBASSA-N	411.845	5.714	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4ccccc4)nc3O)cc2)c1	303219614	UOFWUFJEULPGSL-UHFFFAOYSA-N	421.456	5.157	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	303587593	LQIQWYGCSRHLDD-KGLIPLIRSA-N	421.312	5.528	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N(CCC#N)Cc1ccco1	426057340	IDCNLGFUAPFEIY-LJQANCHMSA-N	403.482	5.676	30	20	HKED	
C=CCN(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	429567443	GBINHLCGRIYHAK-LLVKDONJSA-N	408.264	5.155	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1	432691227	XYIHVTKXOBOXDH-HXUWFJFHSA-N	402.454	5.089	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	438452658	WIYWFBQFGMLITM-QIJUGHKUSA-N	416.924	5.191	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1C(F)(F)F	438657269	QWHYSOHJTCJLQT-UHFFFAOYSA-N	403.379	5.427	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]2Cc2ccccc2)cc1	443863719	RQVRWBUCFDVJAR-OAQYLSRUSA-N	413.477	5.208	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c(F)c1	445628314	GZMFVNQVLINGKL-UHFFFAOYSA-N	409.358	5.098	30	20	HKED	
CO[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(Cl)cc1	460317042	LOONLCRRXWGSQP-QHCPKHFHSA-N	420.896	5.316	30	20	HKED	
N#Cc1cccc(OCCNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1	464066249	BOXTYOBVCMCGHB-UHFFFAOYSA-N	409.848	5.094	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1	468007714	YGPZBJMFGZZWON-UHFFFAOYSA-N	423.516	5.693	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1Oc1ncccc1Br	468619054	GITLXSOQAHXXFK-UHFFFAOYSA-N	422.282	5.263	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(Br)c1COC	471276693	GYUHGOLDVVZFMU-UHFFFAOYSA-N	403.320	5.206	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1	475582432	NFXVBYWAURTGCB-LJQANCHMSA-N	423.626	6.285	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(Br)ccc2N2CCCC2)cc1	476355548	YTRKADFXLOKMKY-UHFFFAOYSA-N	412.331	5.103	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1nc(SCc2ccccc2)ns1	476480716	JHPQUAONUVWQEY-UHFFFAOYSA-N	402.570	5.112	30	20	HKED	
N#CCCn1cc(CN2CCC(c3c(F)cccc3F)CC2)c(-c2ccccc2)n1	485726182	QPBTYPVOAVWGOY-UHFFFAOYSA-N	406.480	5.122	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CSc2ccc(F)cc2)cc1	487975803	PZWUWWCHYTUYIR-UHFFFAOYSA-N	408.473	5.158	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccncc3)n2C2CCCCC2)cc1	488904855	ZZAIVJQSZOHEAT-NRFANRHFSA-N	403.555	5.381	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(SCC(F)(F)F)c1	494107098	RBOOHPXOLMEHRI-UHFFFAOYSA-N	406.882	5.279	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1cc(Br)cs1	499710114	SZLHKVOQNOIZKE-UHFFFAOYSA-N	404.782	5.373	30	20	HKED	
N#C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1cccc(C(F)(F)F)c1	505986421	IUYZBIDAFGHCPD-OAHLLOKOSA-N	405.763	5.008	30	20	HKED	
CN(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1-c1ccccc1	507220209	UTCRQYSXQLGGQN-UHFFFAOYSA-N	401.535	5.040	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1	508469468	FHNLCUDUYINAHD-PKOBYXMFSA-N	404.457	5.387	30	20	HKED	
COc1cccc(-c2c[nH]cc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	509397724	WRCFTVJRWZLVJF-UHFFFAOYSA-N	423.472	5.393	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3coc(C4CCCC4)n3)cc2F)c1	509513091	YSTCLPCSCAUPGS-UHFFFAOYSA-N	405.429	5.174	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)cc2nccnc12)c1nc(-c2ccc(Cl)cc2)cs1	510731929	KCFYEUDMAQCRTG-HNNXBMFYSA-N	408.845	5.036	30	20	HKED	
CC[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Cl)s1	510757906	DLJBDMMASAEPKM-HNNXBMFYSA-N	400.887	5.326	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(C(C)(C)C#N)cc4)CC3)c2c1	510762065	HESTXHXYCYMUJU-UHFFFAOYSA-N	416.525	5.389	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(COc2ccc(C)cc2)n1	512505791	BZCAXABWYQQEIU-UHFFFAOYSA-N	410.587	5.386	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	513656095	XSEZGQGQLBGJQG-OAHLLOKOSA-N	423.494	5.269	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	516651391	CGGVPLINUPWMKK-UHFFFAOYSA-N	424.831	6.096	30	20	HKED	
CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1	517467356	VWKDPBJJPYVQEL-QFIPXVFZSA-N	423.582	5.097	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)oc1C	517603436	NQCAQSQNECGFMJ-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1	518521781	HIJVUWJKNBCKLL-UHFFFAOYSA-N	418.472	5.006	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c1	519138539	LCNGZTKBQJVDHC-UHFFFAOYSA-N	408.929	5.093	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)N3[C@H]4CC[C@H]3c3ccccc34)s2)cc1	520247741	DZLQNTVGMWXQRE-ROUUACIJSA-N	419.535	5.126	30	20	HKED	
C=C(C)COc1cc(CNC2(c3ccc(Br)cc3)CC2)ccc1OC	520963423	JBSHVGOOHWVTMP-UHFFFAOYSA-N	402.332	5.192	30	20	HKED	
N#Cc1cn(CCCc2cccc3ccccc23)c2ccc(Br)cc2c1=O	522828006	LNRVNORMJDPDFB-UHFFFAOYSA-N	417.306	5.422	30	20	HKED	
CC1CC(C#N)(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)C1	531810662	PTCQDBGZNIKXFN-UHFFFAOYSA-N	416.403	5.228	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(COc2cc(Cl)ccc2C#N)cs1	532138983	PSAMACFCWLKABU-UHFFFAOYSA-N	418.305	5.585	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1Cl	533347245	DQAHJGFWJPRISC-AWEZNQCLSA-N	422.381	5.458	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	533936254	FBPJNXJBLBJYDY-SFHVURJKSA-N	418.378	5.201	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C1CC1	536325080	OVEQUWGNCQRGRU-QGZVFWFLSA-N	414.509	5.956	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C(C)C	536604618	FYGBBVODIOFNQF-AWEZNQCLSA-N	419.337	5.693	30	20	HKED	
CC[C@H](CSC)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	536913347	BPRSVKFJEUWWIW-IEBWSBKVSA-N	401.963	5.601	30	20	HKED	
CC1(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCOCC1	537513155	GQLPTIXTXTZICL-UHFFFAOYSA-N	419.403	5.060	30	20	HKED	
Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)nn1CCC#N	538617567	SRMWIQYATFFNLQ-CQSZACIVSA-N	413.934	5.370	30	20	HKED	
CC(C)[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCO1	539029624	MTDHFLIZXRAQBO-DYESRHJHSA-N	413.905	5.329	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2nc(C(C)(C)C)cs2)c1	541661085	OALITNGUPRDRLH-QZTJIDSGSA-N	412.603	5.043	30	20	HKED	
Cc1ccc(C2CCN(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)cn1	543970162	JORLDEJPFOEVEV-HXUWFJFHSA-N	424.548	5.579	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1	549019649	TZMTVJXOCHYUPE-UHFFFAOYSA-N	412.505	5.315	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)c(F)c1	566369526	NJSGJBWSMZFCCA-UHFFFAOYSA-N	424.472	5.249	30	20	HKED	
N#Cc1ccc(CNCc2cccc(COCc3ccccc3)c2)c(C(F)(F)F)c1	569860554	DKFIOTWFYNUKCW-UHFFFAOYSA-N	410.439	5.584	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2	570250586	SDWWRONIEUVIHC-HTAPYJJXSA-N	421.566	5.297	30	20	HKED	
C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1	570376841	VDRAOVQFYSDHAY-RUZDIDTESA-N	413.477	5.130	30	20	HKED	
C[C@H]1CCCCN1Cc1ccccc1CNCc1ccc(C#N)cc1C(F)(F)F	572685082	CFHQZXYJBCZGIA-KRWDZBQOSA-N	401.476	5.241	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	580739505	WHNSDVVDQITMQW-HDICACEKSA-N	418.484	5.903	30	20	HKED	
Cc1ccccc1N(C(=O)Cc1c(F)cccc1C#N)c1nc2ccccc2s1	588814604	RMBQEYNMEJKGAI-UHFFFAOYSA-N	401.466	5.523	30	20	HKED	
Cc1csc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1C#N	589034621	PSARCNXPTNSFOO-UHFFFAOYSA-N	407.442	5.631	30	20	HKED	
N#Cc1ccc(CNCc2cc(C(F)(F)F)ccc2Br)cc1Cl	589319815	NUZKQCKMPPQKIR-UHFFFAOYSA-N	403.629	5.283	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1	592079770	ADYMAMMDMRFKOR-UHFFFAOYSA-N	402.460	5.143	30	20	HKED	
CCN(C(=O)[C@H](C)Sc1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1	603956091	BOMRNYKRCYBNTO-GJZGRUSLSA-N	417.372	5.411	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)Nc1sc2c(c1C#N)CCCCCC2	603996639	ZOPLXXCVDGJEGK-UHFFFAOYSA-N	411.552	5.485	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc4ccccc4o3)cc2Cl)cc1	604027158	KFVSJBRISMWSNV-UHFFFAOYSA-N	417.852	5.716	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC(C)(C)c2ccccc2)cc1C	604450243	FXYXGNBULSTVBZ-UHFFFAOYSA-N	414.553	5.178	30	20	HKED	
O=C(Nc1cc(F)c(F)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	607401620	KQNWTFSPIQMGEI-JIGDXULJSA-N	408.264	5.135	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	609432555	YNOSFHFNCSOCEA-INIZCTEOSA-N	403.507	5.512	30	20	HKED	
N#Cc1c(F)cccc1N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	609443264	TWNJOFBHMSYEKY-QHCPKHFHSA-N	420.532	5.390	30	20	HKED	
CC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	609727309	IWUFDKIWYAUGEA-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1coc(-c2ccccc2)n1	609970816	KULATMZCWFAXLX-UHFFFAOYSA-N	417.412	5.618	30	20	HKED	
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1	609997308	JDWBBQWYMXVSRW-RLWLMLJZSA-N	417.553	5.022	30	20	HKED	
COc1ccc([C@@H](C)CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	610320094	QKWMTEHFCPBGMW-KRWDZBQOSA-N	416.481	5.069	30	20	HKED	
N#Cc1ccc(C[S@@](=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	610482430	NOEFKXCRHZLLMW-AREMUKBSSA-N	400.330	5.903	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)c(F)cc1Cl	610585657	ZKBGHWWPGCDVNO-UHFFFAOYSA-N	424.701	5.556	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]3[C@H](C(F)(F)F)[C@@H]32)cc1Cl	611190943	PUBQUPLDUBRJDE-DOPJRALCSA-N	406.791	5.027	30	20	HKED	
FC(F)(F)C(F)(c1ccc(NCc2cccc3c2CCOC3)cc1)C(F)(F)F	630064864	FQWNBIZQYKUXKJ-UHFFFAOYSA-N	407.329	5.661	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	642157202	OSWBZNSXQCPXLF-GHMZBOCLSA-N	407.276	5.345	30	20	HKED	
O=C(Nc1cccc(Cl)c1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642428888	XKMLATWMAAFTQX-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
N#CCCCOc1cccc(/C=C2\CCOc3cc(Br)ccc3C2=O)c1	726743824	QIBINPCXCBHCNV-FOWTUZBSSA-N	412.283	5.180	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccnc1Cl	727054547	ZKHVUOVBYMHDGG-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
N#CCCCCNC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	728850036	KHXBIHVQAAUKCR-NKFKGCMQSA-N	416.546	5.678	30	20	HKED	
COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2C)cc1	730421672	NEFWCIAUYVYYPT-LJQANCHMSA-N	419.481	5.342	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OC(F)F)c(Cl)c2)ccc1OC(F)F	731489366	DVQNWMCNPZOSPB-GORDUTHDSA-N	404.743	5.448	30	20	HKED	
N#CCOc1ccc(CC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1	731991860	XXLDLSIDEOSECS-UHFFFAOYSA-N	416.443	5.122	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	732499076	ILJGDLUOPQSLSI-UKRRQHHQSA-N	414.502	5.693	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)c2)c1	735789677	PPDQURZJUSBDKN-JOCHJYFZSA-N	409.489	5.178	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)c2)c1	735789678	PPDQURZJUSBDKN-QFIPXVFZSA-N	409.489	5.178	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3Cl)[nH]c12	735791004	SUAGJNAFCHLQGW-CQSZACIVSA-N	402.281	5.214	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)CSCc1ccc(C#N)cc1	739588565	AKUNBQNHCGAXEO-KRWDZBQOSA-N	422.575	5.452	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)c1ccncc1	741216369	SWQHKGIYTKDPAL-OAQYLSRUSA-N	400.482	5.081	30	20	HKED	
Cc1cccc2c(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c12	741432695	ZQLMEOMNYIMEFA-NRFANRHFSA-N	423.472	5.159	30	20	HKED	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)/C=C/c1ccccc1C#N)CCO2	741961998	QNJYJTCSCWWUDA-IGQYLQMFSA-N	424.500	5.133	30	20	HKED	
COCCOc1ccc(C(C)=NNc2nc3cc(C(F)(F)F)ccc3s2)cc1	743444189	GUXCYXUUYAAKAK-UHFFFAOYSA-N	409.433	5.176	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)o2)cc1	744027669	AZADGNPMUFYTNU-NRFANRHFSA-N	408.457	5.623	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)ccc1OC(C)C	744443958	PUYCNOJJKRDNPT-AWEZNQCLSA-N	415.877	5.298	30	20	HKED	
C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1)C(=O)O	746684521	RTIUOKGEMYWUKI-CMUBDUJZSA-N	423.446	5.071	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)n1	750677649	HDQOZHKFWHCODR-DOTOQJQBSA-N	405.361	5.295	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1ccccc1SCC#N	750822394	SPRLXXAVLACGPT-UHFFFAOYSA-N	419.550	5.442	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	752806100	MMAMEUIVLKHDIH-HOCLYGCPSA-N	403.404	5.018	30	20	HKED	
Cc1nc2sccn2c1C=NO[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	753822567	SFPMSRALDGTXSM-NSHDSACASA-N	421.309	5.778	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(F)c4cccnc34)c(=O)c2c1-c1ccccc1	759184938	ILMPWGAKZFTUKQ-UHFFFAOYSA-N	414.465	5.003	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)ccc1OC	762296120	YCSYFXDCHVXSIQ-IFMALSPDSA-N	421.541	5.040	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)n1	766383793	APYCHWRZOCODIX-YPMHNXCESA-N	409.324	5.223	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1C(F)(F)F	769910244	SQTSFEIKZDYDEG-UHFFFAOYSA-N	403.791	5.108	30	20	HKED	
N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc2cc(F)ccc2s1	770471783	XGCFLCJBTPDRDU-IAOKNECISA-N	424.806	5.911	30	20	HKED	
CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccc(OC)c(O[C@H](C#N)CC)c1	772986669	QBHNSWCWUIZJDG-QAPCUYQASA-N	402.922	5.279	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1	774023809	PTEKPHANDNOFRO-MZLICYQSSA-N	403.526	5.013	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(OC)cc1	776084188	JLBWIBJOQOJVFN-WOJBJXKFSA-N	406.507	5.197	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl	780153103	HWZQAQOYSMDDPB-INIZCTEOSA-N	406.869	5.315	30	20	HKED	
CCN1C/C(=C\c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1	782300544	GRJBFJNXLXJOGV-BKHCZYBLSA-N	405.501	5.155	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cncn3Cc3ccccc3)cc2F)c1	783565781	XLBHYLQTHNCTAZ-UHFFFAOYSA-N	412.468	5.133	30	20	HKED	
COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	789032346	LOGZWMADRMDUOC-JWQCQUIFSA-N	413.521	5.063	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)[C@H](C#N)c3nccc4ccccc34)c2Cl)cc1	792101291	GLCMCEMPCQJPAL-HXUWFJFHSA-N	414.896	5.240	30	20	HKED	
N#CC1(CCCOC(=O)CSc2cccc3cccc(Cl)c23)CCOCC1	800086882	VOJRUKAZWAERHC-UHFFFAOYSA-N	403.931	5.229	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](c3nc(C(c4ccccc4)c4ccccc4)no3)C2)c(F)c1	804606944	HCJAHGCWGYUQAZ-OAQYLSRUSA-N	424.479	5.254	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc2ccccc2c1	811802414	AJDIWPDLPBJRNM-QGZVFWFLSA-N	408.461	5.338	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CC(=O)N2	814948706	AZBGBDXQWRFYLJ-UHFFFAOYSA-N	401.310	5.055	30	20	HKED	
CC(C)Oc1ccc(-c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)c(F)c2)cc1	817050177	DGQRKVTUSCUHRV-UHFFFAOYSA-N	410.395	5.682	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc2cc(Cl)ccc2c1Cl	916908782	INRCITUTTOMGMH-NSHDSACASA-N	423.708	5.823	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	917045239	WZAJHNPAZDURIN-SFHVURJKSA-N	423.463	5.613	30	20	HKED	
Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)coc2c1	917045561	YCXBJKQASKJBTP-OAHLLOKOSA-N	414.408	5.789	30	20	HKED	
CN(C(=O)Cc1ccc(N=Cc2cc(Br)ccc2O)cc1)c1ccccc1	917557232	BSVWGCKEFNSPBR-UHFFFAOYSA-N	423.310	5.111	30	20	HKED	
Oc1nc2ccccc2cc1/C=N/CC1(c2cccc(C(F)(F)F)c2)CCOCC1	920175243	UGWZAGQZNLFUFY-MZJWZYIUSA-N	414.427	5.127	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	920269383	UACCGQOHWJVFOJ-VQIMIIECSA-N	405.523	5.281	30	20	HKED	
COc1cc(C=NOCc2csc(-c3ccc(F)cc3)n2)ccc1OC(C)C	920760215	YFYBDJSAGOSXFM-UHFFFAOYSA-N	400.475	5.296	30	20	HKED	
Cc1ccc(CN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2ccco2)s1	921058975	MSCFLIWGGHHXNS-GOSISDBHSA-N	421.547	5.138	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1	1787664641	DIVMBJKGUTWMHZ-SFHVURJKSA-N	403.526	5.107	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1	1789678489	RORRMTYIDBSJLN-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
N#Cc1c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)sc2c1CCC2	6239984	XNCUKVLTSNBNGF-UHFFFAOYSA-N	401.702	5.086	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1OCc1ccccc1	6341155	YIHWGQOCUGLKAU-ACCUITESSA-N	401.462	5.129	30	20	HKED	
N#Cc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1	7037677	FRPBWXHPVCGYRI-UHFFFAOYSA-N	409.514	5.571	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(CC)c2)cc1	23604603	LBCNINGTMYAZMG-UHFFFAOYSA-O	406.575	5.095	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc(-c3ccco3)nc21	25439524	OSWAPMZYSAGQAA-UHFFFAOYSA-N	413.481	5.326	30	20	HKED	
CCCCc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1	43760520	YBXDCCHJUBNLBV-UHFFFAOYSA-N	418.497	5.004	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl	55844517	SQIMJYILZFAWKT-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(COc2ccc(C#N)cc2Cl)cs1	57957160	WSMGYCKOZNGJIM-UHFFFAOYSA-N	411.914	5.494	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	63641433	CXVVHHDBFHQHEB-QGZVFWFLSA-N	403.457	5.546	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(OC(F)F)c1	65374091	ZNWUSVZSHDPLCA-UHFFFAOYSA-N	423.419	5.582	30	20	HKED	
CC(C)N(C)Cc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1	65976485	XKVRWAGTBUNIQH-UHFFFAOYSA-N	413.565	5.267	30	20	HKED	
COc1cc(/C=C\C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)ccc1OCC#N	96828937	PTNYZCLYOXWEDY-UVTDQMKNSA-N	422.500	5.111	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(CSc3ccccc3)cc2)cc1	302222151	MZRBZVBQFYZQQH-UHFFFAOYSA-N	416.546	5.938	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(Cc2cccs2)n1-c1ccccc1	303165402	HVYNTIGMMALBSS-UHFFFAOYSA-N	406.511	5.223	30	20	HKED	
CCN(Cc1nc(-c2ccc(Br)s2)no1)[C@@H](C)c1ccc(C#N)cc1	303633730	ZDHVQWGGKATRQG-LBPRGKRZSA-N	417.332	5.015	30	20	HKED	
Cc1nc2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)ccc2n1Cc1ccsc1	409537388	UIPPNAQMJBOWLJ-FQEVSTJZSA-N	420.925	5.103	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)cc3Cl)c3c(C)noc3n2)c(C)s1	430359249	RFAXLZWRAJRHNL-UHFFFAOYSA-N	422.897	5.654	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1	433031955	KHFRFRLPOSYYTE-QGZVFWFLSA-N	420.738	5.066	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2C)c1	435001274	SQGGTSQSUQPDRN-INIZCTEOSA-N	404.539	5.302	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CSc1nc(C)c(C)c(C)c1C#N	436350498	VIFLPHKKFJEZBS-GOSISDBHSA-N	421.488	5.089	30	20	HKED	
CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(CC#N)cc2)CC1	437618604	FILLIIDRDMMBNV-UHFFFAOYSA-N	405.498	5.094	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2C)c1	437813212	ZWBKZCBBZRPACX-GGAORHGYSA-N	413.525	5.101	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1	438052807	SNMOQBAVWGLPMD-DLBZAZTESA-N	405.527	5.149	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438646671	ZSRWCSXHJCEVCB-NSHDSACASA-N	415.337	5.821	30	20	HKED	
COc1ccc(C2(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)cc1	438660372	ILEHEZFWKSLPMD-UHFFFAOYSA-N	417.440	5.309	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c2ccccc21	444249451	RAROKUGAGLYFLU-LJQANCHMSA-N	403.379	5.118	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC(=O)c1csc2ccccc12	446233320	GRFAKXBRDSTDDE-PZJWPPBQSA-N	402.519	5.163	30	20	HKED	
CCCc1c(NC(=O)Nc2ccc(SC)cc2OC)cnn1-c1cccc(C#N)c1	446398185	MBZLQSXMVKBVSH-UHFFFAOYSA-N	421.526	5.071	30	20	HKED	
COc1ccc(-c2ccc(CNC(=O)CCCCOc3cccc(C#N)c3)cc2)cc1	460575847	PLANIMWPMZMCGE-UHFFFAOYSA-N	414.505	5.099	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCCC[C@@H]1c1ccccc1	460797750	VHCRTJWSDDYKRH-HSZRJFAPSA-N	402.542	5.303	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	463289623	SCLQKBYAGOTFCC-IBGZPJMESA-N	416.496	5.678	30	20	HKED	
O=C(Nc1ccc(Cl)cc1OC(F)F)c1c(F)cc(C(F)(F)F)cc1F	464355832	OCMTZGHLNMQXEE-UHFFFAOYSA-N	401.665	5.491	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3C[C@@H]4CCC(=O)c5cccc3c54)cc2)cc1	464458785	JDGYLXNPHOPZJJ-IBGZPJMESA-N	408.457	5.265	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nc2ccccc2n1C(F)F	467071211	YQBVQMUTHYJQHC-QGZVFWFLSA-N	422.822	5.637	30	20	HKED	
CO[C@@H]1CCOc2c(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)cccc21	468682387	MBZPCFABKBIYCQ-HSZRJFAPSA-N	414.461	5.381	30	20	HKED	
CC(C)CCOc1ccc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	468764092	APNIMRYWNKIAFZ-UHFFFAOYSA-N	405.542	5.307	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1)c1ccccc1	472504271	RVDGSVCVBUIOHU-FOIQADDNSA-N	410.395	5.730	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(CCCc2ccccc2)CC1	475584077	RHLVIVCJZVHTKH-UHFFFAOYSA-N	419.613	5.711	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1	476141621	JBLVLZZJHINPGP-UHFFFAOYSA-N	406.570	6.094	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	476538743	DBURDBCACVPNSE-OFNKIYASSA-N	403.913	5.223	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1C	479540846	GUQCLOYEVOATJC-UHFFFAOYSA-N	401.491	5.229	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(OCc4ccccc4)cc3)no2)cc1	481934444	RZIQMMNVOHEXDF-JOCHJYFZSA-N	406.445	5.037	30	20	HKED	
O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N[C@@H]1CCCC(F)(F)C1	482361751	DRCHARCJSDPRGH-PWSUYJOCSA-N	420.300	5.066	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483236624	PFSGUHOGLKNSJM-IBGZPJMESA-N	405.479	5.525	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)c1	483286673	XOZNOFXZTFOLOM-JOCHJYFZSA-N	420.509	5.148	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	486580904	QZTSXHCRYLSXGG-UHFFFAOYSA-N	413.264	5.886	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	486793091	XMIWTHAXZUSGSC-INIZCTEOSA-N	421.522	5.056	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	487031334	JYAOPDARNIYIJJ-OAHLLOKOSA-N	423.925	5.002	30	20	HKED	
Cc1cc(Br)ccc1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	489404443	FWJYKBQXPBREIW-AWEZNQCLSA-N	403.345	5.333	30	20	HKED	
Cc1ccnc2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(C)c12	490743638	NWSUMBDTHYQCLV-INIZCTEOSA-N	414.515	5.398	30	20	HKED	
C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1	491142583	ZQBUBHADEWBOQJ-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NCc3cc(C#N)ccc3Br)cc2)cs1	492773647	PPOBKARGVMOHIV-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
C=CCc1cc(CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cc(OC)c1O	500151258	UVLNRVJRABHRHP-XMMPIXPASA-N	421.512	5.351	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCC(N2CCC(C)CC2)CC1	502835070	YPRQNLDNXJOHNJ-UHFFFAOYSA-N	410.027	5.142	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CCOC)Cc2ccc(F)cc2Cl)c1	504049629	CKXFSZCFURRZDO-UHFFFAOYSA-N	406.885	5.115	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1	505438120	LXVCWCYHVRKSMS-UHFFFAOYSA-N	421.884	5.249	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1	505755144	CJLBGUBVZUODKE-MRXNPFEDSA-N	418.305	5.371	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccco1)C(=O)CSc1nc(C)c(C)c(C)c1C#N	505924770	KOFUJAFONFSJER-UHFFFAOYSA-N	423.513	5.245	30	20	HKED	
N#C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1	505939567	WXPNBOFSYHBVNU-HXUWFJFHSA-N	410.395	5.132	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(C#N)ccc1Cl	509067028	ISDWJEORSGQVDA-UHFFFAOYSA-N	414.086	5.279	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	510024723	WOJIVAIJYRCNLJ-NRFANRHFSA-N	405.885	5.326	30	20	HKED	
C=C(C)CN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)Cc1ccc(CO)o1	512481745	XUOSVPAQLVAYOV-UHFFFAOYSA-N	406.404	5.024	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1-c1cccc(Cl)c1	513652921	CIXKCWDRRJSJID-OAHLLOKOSA-N	406.898	5.188	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1=Cc2ccccc2OC1	518150991	MMNLMAIBIGQTQX-UHFFFAOYSA-N	404.413	5.126	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](CN2CCCCCC2)C1	518260288	VOSFAVIPKAKYOE-WOJBJXKFSA-N	414.619	5.201	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	518723464	BKIYSRAZAWXUBG-OAHLLOKOSA-N	417.431	5.332	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	520167838	GAMXYPJSEYHOEI-UHFFFAOYSA-N	422.497	5.658	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1	520924429	WDGZIKBRTNLINE-STQMWFEESA-N	409.338	5.794	30	20	HKED	
C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521082973	KLAORJFOESOLLV-UQBPGWFLSA-N	412.489	5.147	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)c1	521810665	YLXIYNREOOJZKK-QHCPKHFHSA-N	401.441	5.859	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Br)cc1	521896639	RADACYCQWOASQN-MRXNPFEDSA-N	414.347	5.250	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@H](c3ccccc3)C2)c1	522583611	JOYNSDANQPTPQZ-QHCPKHFHSA-N	418.880	5.218	30	20	HKED	
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523621212	NAAINAQGUQVURC-IQGLISFBSA-N	411.505	5.387	30	20	HKED	
Cn1cccc1[C@@H]1CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523899620	DDTYDUKEYGCXFI-NRFANRHFSA-N	405.885	5.320	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@H]1COc2ccccc21	532848349	HDVNZDJLJJDRFX-VGOFRKELSA-N	413.477	5.345	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1	532899393	XKWWVCWRXXEPCI-UZLBHIALSA-N	413.974	5.367	30	20	HKED	
CCc1ccc([C@H](CO)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	533132665	ZNDNLLGNPZVLGX-DEOSSOPVSA-N	415.493	5.077	30	20	HKED	
CCN(C(=O)c1ccc(CC#N)cc1)[C@H](c1cccnc1)c1csc2ccccc12	536261039	YRRJPZBXGAVZFQ-XMMPIXPASA-N	411.530	5.614	30	20	HKED	
CCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1ccc(F)cc1)c1cccnc1	537464667	VPARTHQRQXPIOI-XMMPIXPASA-N	413.496	5.418	30	20	HKED	
N#Cc1cccc(CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)c1F	538147700	KIBIQTGHEFGOOG-UHFFFAOYSA-N	411.458	5.506	30	20	HKED	
N#Cc1c(NC(=O)CN[C@H](CC(F)(F)F)c2ccccc2)sc2c1CCCCC2	538174923	MABCDLYFRYUTGX-QGZVFWFLSA-N	421.488	5.110	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3coc(-c4ccccc4Cl)n3)n2)c1	538458063	VSCXOTXRXHPPDN-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
N#Cc1ccc(-n2ccc(NCc3csc(COc4ccccc4)n3)n2)c(Cl)c1	541993191	BVMGHLBYVRAQNZ-UHFFFAOYSA-N	421.913	5.045	30	20	HKED	
N#C[C@H](C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc(-c2ccccc2)cs1	542282181	PIPGLMWKQAQEAB-MRXNPFEDSA-N	409.898	5.137	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)N(CCC#N)c1ccccc1	543861439	QPWAAZLTPNNOKP-SFTDATJTSA-N	422.532	5.211	30	20	HKED	
Cn1ccc([C@@H](NC2CCC(C#N)(c3ccccc3)CC2)c2ccc(Cl)cc2)n1	547279265	LJRBREIZRUTHTI-RZMWZJFBSA-N	404.945	5.157	30	20	HKED	
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	550830801	HVNYOEMIHULDKN-DVECYGJZSA-N	410.583	5.489	30	20	HKED	
C[C@H](Cc1nnc(SCc2ccc(Br)cc2C#N)o1)c1ccccc1	553364108	DEBPKHKPJIGVIX-CYBMUJFWSA-N	414.328	5.342	30	20	HKED	
CC(C)CCSc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1[N+](=O)[O-]	554284356	NBXZTUZKOHZGDS-UHFFFAOYSA-N	415.490	5.433	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(CC(F)(F)F)CC2)cc1	560820864	WEFUQEJFWSRGEL-UHFFFAOYSA-N	418.484	5.655	30	20	HKED	
CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	565568368	BVXFJUWXZOYREW-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	572471458	YGUILBSXFDAQOX-DOPJRALCSA-N	407.345	5.210	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2	574182581	YDDZSZPYRAPIIC-APWZRJJASA-N	423.538	5.221	30	20	HKED	
COc1cc(OC)c(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1Cl	575101856	ADNGFJDLKFGOJJ-UHFFFAOYSA-N	424.844	5.060	30	20	HKED	
Cc1c(Br)ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1F	578721034	JQPLAODJDHUQEA-NSHDSACASA-N	407.308	5.543	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(C)cc(O)nc2c1	579338294	RHAREMLKUNQFEX-UHFFFAOYSA-N	423.472	5.260	30	20	HKED	
C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1	581039301	BJSGREDIEVTVQL-LEWJYISDSA-N	406.530	5.087	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	603692454	WSIWCCNYODOUBO-KRWDZBQOSA-N	416.481	5.415	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)n2)cc1	603819868	OKGQDPMIDLLJPW-UHFFFAOYSA-N	420.494	5.126	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	604468581	APNBGGIKYLCOTI-UHFFFAOYSA-N	412.537	5.129	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1Oc1ccncc1	604691021	WYTPCBKAFBOVHE-KRWDZBQOSA-N	418.403	5.417	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1oc2ccc(F)cc2c1C	609061646	GHWZHZQUTACWNY-UHFFFAOYSA-N	414.436	5.892	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(Cl)c1	609372232	FPRQCJQGNDCNSE-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
CCN(C(=O)CNc1ccccc1SC[C@H](C)C#N)c1cccc2ccccc12	609384794	ZDEZRRMGQQJUTP-GOSISDBHSA-N	403.551	5.557	30	20	HKED	
Cc1ccc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)cc2Cl)cc1	609396807	IGWXVTVQOLJNSR-QFIPXVFZSA-N	407.876	5.765	30	20	HKED	
CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	609437674	JZJUUDJEUNXMKW-JTSKRJEESA-N	423.582	5.313	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2c(F)cc(F)cc2-c2ccccc2)c1	609501021	CXWQFPIIZRUKQI-UHFFFAOYSA-N	406.432	5.691	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CNc1ccccc1Cl	609526216	JTKKWRAQBVFTIT-UHFFFAOYSA-N	407.876	5.305	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccccc3CC2)cc1Cl	609711830	VXJUQCSSFQCJPO-QHCPKHFHSA-N	415.924	5.628	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609928364	SDBCDYJPLMLGPD-LPHOPBHVSA-N	416.456	5.295	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1F	610009796	QCHVPPGLCKJWJN-LIRRHRJNSA-N	420.550	6.040	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1C	610053541	AZOJSRGRYFIJGD-IBGZPJMESA-N	412.415	5.036	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	610122800	WEGWUFAWVBYURF-NSHDSACASA-N	414.836	5.272	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F	611185676	IGLWPSZILKSSQL-UHFFFAOYSA-N	400.454	5.428	30	20	HKED	
C=CCN(C(=O)c1oc(Br)cc1C)c1nc(-c2ccccc2)cs1	611762590	JYYHENJOYQTNNW-UHFFFAOYSA-N	403.301	5.307	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)CC2)cc1	611832114	ZQNANSDWMFPRKI-UHFFFAOYSA-N	410.543	5.138	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)C1	612369558	KOYWETZOWOTSOU-GOACCAMTSA-N	411.505	5.471	30	20	HKED	
N#Cc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1Cl	619764001	HFEKUXVWPLIWCH-UHFFFAOYSA-N	413.864	5.464	30	20	HKED	
FC(F)(F)c1cccc(OCCCN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	620618269	WEXBEVHTDKXBSX-STQMWFEESA-N	423.319	5.537	30	20	HKED	
O=C(Nc1ccc(-c2ccccc2)cc1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674556921	SKRJUBNTFJXRCL-ZIAGYGMSSA-N	420.328	5.697	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1	726695109	CBKLCQSPVROINZ-UBFVSLLYSA-N	411.505	5.384	30	20	HKED	
CCCCCOc1cc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)ccc1OC	728156687	LWXFJSLTQAKWHH-CYVLTUHYSA-N	419.477	5.007	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1CNCc1ccc(OCC#N)cc1	729685343	KQOMTYCPWLSHPR-UHFFFAOYSA-N	408.505	5.040	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)c1	729946867	HNIYDRAGUKWFPU-NRFANRHFSA-N	410.445	5.339	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl	730488980	GHIDTDHKRVLFKQ-HNNXBMFYSA-N	412.320	5.307	30	20	HKED	
C[C@@H](OC(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)Nc1ccccc1C#N	732407547	RLFCSIIZAHLOSA-OAHLLOKOSA-N	404.853	5.063	30	20	HKED	
CC(C)c1ccccc1OCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	732417765	JTWMDFOCQWIHTH-XMMPIXPASA-N	413.521	5.666	30	20	HKED	
CCc1oc2ccccc2c1C=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	733081457	ZBNPLVKGEAMBTK-UHFFFAOYSA-N	411.387	5.312	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(Oc3cc(F)cc(F)c3)cc2)c1	733801388	YZSAEXSDYKFJBF-NRFANRHFSA-N	408.448	5.728	30	20	HKED	
O=C(/C=C/c1ccc(-c2c(F)cccc2F)o1)c1ccc(S(=O)(=O)C(F)F)cc1	735231913	DLMXEQWEMIKODF-UXBLZVDNSA-N	424.371	5.117	30	20	HKED	
Fc1cccc(F)c1NN=Cc1cc(Br)ccc1OCc1ccccn1	735618608	CLKJINNIUHYRQI-UHFFFAOYSA-N	418.241	5.147	30	20	HKED	
N#C[C@@H](C(=O)CC/C=C\c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1	739143898	POSPTFFCLPHUMN-MSEQUDFZSA-N	400.450	5.142	30	20	HKED	
N#C[C@H](C(=O)CC/C=C/c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	739154878	MLLBTTSFDKLKSK-ZCQBWMKESA-N	410.473	5.620	30	20	HKED	
Fc1ccccc1C1CC(=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1	743440192	DFAGXDCUNPVHOY-UHFFFAOYSA-N	401.367	5.042	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	744037807	DRSYMGRPIVMXCT-LMRWQKIVSA-N	419.353	5.730	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ncc(-c4cccs4)o3)cc2Cl)c1	745993353	AWUYDNDTHUWOEF-UHFFFAOYSA-N	421.909	6.119	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2Br)cc1	746658185	CKBSPDWZJPUTBO-HXUWFJFHSA-N	420.310	5.426	30	20	HKED	
CC[C@H](C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	756233697	OKAVEVMCFNKGCK-UGSOOPFHSA-N	402.466	5.476	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Br)c2F)cc1	757838937	XBWOLQJKDHIBQP-SFHVURJKSA-N	409.258	5.496	30	20	HKED	
C=C[C@H](CC(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccccc1	758920542	MZRFAAMUKRDITD-QGZVFWFLSA-N	415.449	5.103	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1noc(-c2ccccc2)n1	761617374	DTZHAFOMQAGZBG-HTAPYJJXSA-N	423.476	5.275	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2ccc(F)cc2)c1=S	765062217	XANISVVDXIRZQY-OAQYLSRUSA-N	423.561	5.376	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(SC)c(OC)c2)c(OCc2cccnc2)c1	766489496	DDHMGQSWWQUXJY-YFHOEESVSA-N	421.518	5.296	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1	769730157	MEAUYHXFFZAKIW-SFHVURJKSA-N	413.905	5.196	30	20	HKED	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	775986459	RRENJHCVYPHBGF-UWSIMGETSA-N	417.484	5.379	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ncc(Cc2ccccc2Cl)s1	780016835	SSAHVTRQFSFULZ-ZDUSSCGKSA-N	412.902	5.322	30	20	HKED	
C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=S)Nc1ccc(C#N)c(Cl)c1	780209864	MRQIVTGSXXWKME-KPZWWZAWSA-N	406.338	5.024	30	20	HKED	
C[C@](O)(CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	780926898	FZBNXECISBOPPV-DEOSSOPVSA-N	420.896	5.027	30	20	HKED	
O=C(OCc1nc(C(F)(F)F)cs1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	781437226	NQYPETRWEVKWMW-UHFFFAOYSA-N	413.314	5.095	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1)c1ccccc1	786475730	UGMPWFFAFWOJRH-NRFANRHFSA-N	411.933	5.097	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(F)cccc2Br)S1	794869870	OLSGVZNQMAVZKP-OQLLNIDSSA-N	405.292	5.097	30	20	HKED	
C=CCN(C(=O)C[C@@H]1CCCOC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	796524832	QNEMMAYTMRXZAN-IBGZPJMESA-N	418.562	5.813	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](CC#N)c3ccccc3)n2)cc1	796660207	CAILZMQGLBSJHZ-QUCCMNQESA-N	401.491	5.083	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(c3cccc(Cl)c3)CCOCC2)s1	797570295	FHAJLLBSVIXSLV-MRXNPFEDSA-N	402.947	5.019	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	802043185	SNEBBUAIFBWZPF-ROUUACIJSA-N	420.406	5.188	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(c3cc(F)cc(Br)c3)CC2)s1	802833382	JJKYQQFQYAAORZ-AWEZNQCLSA-N	421.335	5.250	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1csc2ccccc12	805081126	SZRAMYYJOXQENP-OAHLLOKOSA-N	423.513	5.226	30	20	HKED	
CCCN(CCN1CCCCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	806200815	NSEJBAYZPLZRHY-DEOSSOPVSA-N	404.558	5.072	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=S)N(C)CCOCc1ccc(C#N)cc1	809164710	ZWYYMIAUGFDJGQ-UHFFFAOYSA-N	409.599	5.650	30	20	HKED	
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N(O)Cc1ccc(F)cc1	901375011	AIKGCQOHCBYBSG-UHFFFAOYSA-N	409.244	5.138	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cs2)o1	915087033	ZLULAFKLRUXOOF-OAQYLSRUSA-N	413.502	5.548	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1	915352852	ODEOCWCHZXMKIV-FCHUYYIVSA-N	417.509	5.840	30	20	HKED	
C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915359369	QVYWAEBRFFDHBC-HTAPYJJXSA-N	403.913	5.748	30	20	HKED	
COc1ccc2cc(C=Nn3cnnc3SCc3ccc(Cl)cc3)ccc2c1	916546517	VXWOMKPGKSALAM-UHFFFAOYSA-N	408.914	5.268	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1	916909427	JMZCXVPROWKGTN-IBGZPJMESA-N	410.564	5.079	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916977702	WYCLTIOUSMCTBK-INIZCTEOSA-N	417.317	5.544	30	20	HKED	
CCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1	917560202	SJGZHBLYFXLTOG-ZROIWOOFSA-N	420.534	5.821	30	20	HKED	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(C)C)c3)C2=O)ccc1OCC#N	917645285	WJSHUVXTXRBHKM-UDWIEESQSA-N	424.547	5.127	30	20	HKED	
C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1F	918101788	NLLQPLXIQITNHA-IVZWLZJFSA-N	418.328	5.235	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3CC)cc2)CCC1	1787091649	GVHIYRQLGCOYBP-UHFFFAOYSA-N	417.553	5.160	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1819309302	RIZSYZBBHKRMDQ-HBXUSSAYSA-N	424.589	5.307	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1828829577	JMUUTLNMDFIERK-XZOQPEGZSA-N	414.634	5.201	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N(C)C2CCCCC2)nnc1-c1ccc(Cl)cc1	6087420	NABRIDGIASHNGZ-HNNXBMFYSA-N	418.994	5.056	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O	7119723	BVANMKYRKQFHHB-ZDUSSCGKSA-N	401.513	5.022	30	20	HKED	
Cn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccccc1F	22415570	UWHAENAMLHYWCE-UHFFFAOYSA-N	400.482	5.452	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2cc3ccccc3o2)cc1OC	26313301	DBNRWMUHNWJQBD-AWEZNQCLSA-N	416.315	5.620	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1	29152261	PIDKCRKXLANKFC-UHFFFAOYSA-N	410.473	6.065	30	20	HKED	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc(C#N)cc1	33179091	DUYHHVBAUUJGNZ-OAHLLOKOSA-N	403.463	5.109	30	20	HKED	
Cc1ccsc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	47166975	LIZJVXMJFXHUCO-UHFFFAOYSA-N	407.442	5.247	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1	63162757	BGVNEIVACCCFGW-UHFFFAOYSA-N	422.579	5.919	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1	208894878	ZJAAMMKAJVNNCL-POHAHGRESA-N	414.433	5.011	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	303495733	LLZKULAXPAFTJF-VXKWHMMOSA-N	418.443	5.466	30	20	HKED	
CS[C@H]1C(=O)Nc2ccc(-c3noc(-c4sc5ccc(C#N)cc5c4C)n3)cc21	426457196	XSCNYUWNNNOSES-GOSISDBHSA-N	418.503	5.155	30	20	HKED	
Cn1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Cl)c2ccccc21	427026730	KVRDDTVHCSHFLD-UHFFFAOYSA-N	402.841	5.143	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)nnc1C1CC1	430202109	FFRNKJOFYSRFEW-IBGZPJMESA-N	415.522	5.273	30	20	HKED	
CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NCC1(CC#N)CC1	431054305	RTMIWNJTRQFJIF-UHFFFAOYSA-N	405.420	5.191	30	20	HKED	
Cc1nc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)sc1SCC#N	431638575	LFXHULVUOPVANR-UHFFFAOYSA-N	418.547	5.323	30	20	HKED	
N#CCCn1cc(CNc2ccc(COc3ccccc3)cc2)c(-c2ccncc2)n1	434981592	HDZHWRMELNAZDB-UHFFFAOYSA-N	409.493	5.050	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCC(CO)CC1	435650071	CGONRQIAWPQCHM-IOYBJCICSA-N	411.933	5.010	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1	436451236	IZEUYGRZFVNHED-HNNXBMFYSA-N	402.800	5.128	30	20	HKED	
N#CCc1ccc(NC(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)cc1	437393856	QYANWJSCOWNTIM-UHFFFAOYSA-N	407.518	5.164	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc3ccccc3o2)cc1F	437464283	BTBLZRNHEPJFHC-UHFFFAOYSA-N	401.397	5.202	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1F	437495742	XJEJLOHSKULTIM-UHFFFAOYSA-N	419.437	5.387	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1	438090551	BXYWHONOOMIJLR-ICSRJNTNSA-N	402.523	5.477	30	20	HKED	
COc1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc(OC)c1	438662161	CGHUXJVTYOJBQX-UHFFFAOYSA-N	407.401	5.151	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1nccn1CC(C)C)c1ccc(C(F)(F)F)cc1	440858295	IQUAJVBCUCCYMN-GOSISDBHSA-N	408.468	5.065	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)c(F)c1	443141904	KKABHFFKTQNALM-ZDUSSCGKSA-N	408.951	5.603	30	20	HKED	
C=CCn1c(S[C@H]2CCc3c(Cl)cc(Cl)cc32)nnc1-c1cnccn1	443526038	BUFLZMOGFCLVQK-INIZCTEOSA-N	404.326	5.008	30	20	HKED	
N#Cc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1C(F)(F)F	443878656	MUBIDAVOTXVXSI-UHFFFAOYSA-N	423.441	5.165	30	20	HKED	
N#Cc1ccc(Oc2cccc(-c3nc(-c4nnc(-c5ccccc5)o4)no3)c2)cc1	446001173	JFBOQLSRZIHWOM-UHFFFAOYSA-N	407.389	5.118	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1SC(C)C	446520378	JGFOQJKUSCLTLU-UHFFFAOYSA-N	408.976	5.055	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cc3c(s2)CCOC3)c1	460337668	FEJYOQZMTKSFPK-UHFFFAOYSA-N	408.910	5.193	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc(C#N)cc1F	463573939	HDRPXQKHLAYHDQ-CYBMUJFWSA-N	411.839	5.915	30	20	HKED	
Cc1nc2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)ccc2n1-c1ccccc1	464471916	CEZVOCGHODZYEU-SFHVURJKSA-N	420.394	5.238	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1CCC(F)(F)F	465245403	XSXCLQRFADEGSD-AZUAARDMSA-N	401.432	5.485	30	20	HKED	
N#Cc1cc(NC(=O)Cc2ncccc2F)ccc1Oc1ccc(C(F)(F)F)cc1	472210364	XYVGULZXXAOLGA-UHFFFAOYSA-N	415.346	5.085	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1	474822737	AOPDWIGCVMURLG-UHFFFAOYSA-N	420.494	5.303	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)nc2ccccc21	475028864	BZZKUMHGBJVMRX-AWEZNQCLSA-N	409.367	5.342	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccccc1	476059007	FBSAQURBTTWUNJ-LGGPFLRQSA-N	408.567	5.294	30	20	HKED	
C=C(C)Cn1c(SCc2cc(-c3ccc(F)cc3)no2)nnc1-c1ccncc1	481353756	YEKHQSABYIDCGC-UHFFFAOYSA-N	407.474	5.003	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C)c1ccc(F)c(F)c1	483309386	OMLZBRPDGJJRBY-CTNGQTDRSA-N	402.489	5.249	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)no1	487530105	BTRANOVCXMJZPO-NRFANRHFSA-N	416.525	5.490	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1cccnc1Oc1cccc(F)c1	488250315	DZCKPHBPTKIIPO-UHFFFAOYSA-N	406.367	5.323	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc(-c2ccc(Cl)s2)n1	499438268	HKYLWUILNCLFII-UHFFFAOYSA-N	404.944	5.362	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl	503769129	ZWOSVKVFTJGUKG-IBGZPJMESA-N	400.309	5.250	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c1	508162309	VWMJOBFXWTYXNU-UHFFFAOYSA-N	416.786	6.275	30	20	HKED	
N#C[C@@H](C(=O)c1occ2c1CCOC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	513649586	ZRBVZAHVYNZFBM-AWEZNQCLSA-N	419.289	5.273	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N	518049041	JKLCKCDPJGAEFY-DZGCQCFKSA-N	424.957	5.321	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)cc2)nc1	521096545	PXFPOWXGQQQXNW-UHFFFAOYSA-N	419.440	5.229	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1OC	521335015	KHUMSQXPBALWOF-BBRMVZONSA-N	406.320	5.029	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	523971318	YMTZXEWRSSJLFP-AWEZNQCLSA-N	419.790	5.043	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	524406240	QGCYPTVRLIUPPN-UHFFFAOYSA-N	412.489	5.356	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc2ccccc2o1	524438376	BWSMYFMTXBHXFM-UHFFFAOYSA-N	411.461	5.514	30	20	HKED	
Cc1ccc2cccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2n1	525454962	ZUQJVJIBONJZMS-DEOSSOPVSA-N	407.473	5.117	30	20	HKED	
C[C@H](NCc1cc(C#N)cs1)c1nc(-c2ccc(Br)cc2)cs1	531667293	BKPGMWPRJMCNJY-NSHDSACASA-N	404.358	5.357	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1	533908149	ZMHFGPRLGZFGMJ-LJQANCHMSA-N	402.469	5.305	30	20	HKED	
Cc1nc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)sc1SCC#N	534138201	RDXQJSPMDDOHLG-AWEZNQCLSA-N	421.547	5.040	30	20	HKED	
C=C[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1	536307215	DPEIBJYZXDRRQT-CYFREDJKSA-N	411.505	5.028	30	20	HKED	
C=CCC[C@@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(C(F)(F)F)cc1	537950332	RTESFRKTRCBRCP-JOCHJYFZSA-N	403.492	5.362	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cccc1N(C)C	540557778	AIZVMKJPPUYAJR-UHFFFAOYSA-N	416.500	5.306	30	20	HKED	
C[C@H](NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(-c2cccc(C#N)c2)cc1	541073384	VIWUNOKHAXLOGS-FUYJZFRPSA-N	414.549	5.124	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2ccc(CC#N)cc2)c1	542360900	NVRGUALREJBIQZ-DQEYMECFSA-N	411.505	5.524	30	20	HKED	
N#Cc1ccc(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1Cl	548304503	GBHHDZPXPXEUGN-IBGZPJMESA-N	411.292	5.232	30	20	HKED	
Cc1c(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)sc2ccc(C#N)cc12	551761301	FQEVJJFKIXAWQV-GFCCVEGCSA-N	422.897	5.276	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C2CC2)nc2ccc(F)cc12	553451008	UKBRVLNAUARTLE-UHFFFAOYSA-N	406.505	5.247	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[C@H]1OCCc2sccc21	555835351	WVGLZWNUQUUCLD-WAIKUNEKSA-N	418.518	5.087	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)c2)cc1	557085612	PTEAGTXUUJIIOA-QHCPKHFHSA-N	401.441	5.859	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1	557726404	DIJWQDQVJQBHTP-LJQANCHMSA-N	415.562	5.722	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	558650020	DABVCTZMMCHSBZ-RDPSFJRHSA-N	418.585	5.559	30	20	HKED	
N#C[C@@H](C(=O)c1coc(C2CCCCC2)n1)c1nc(-c2c(F)cccc2F)cs1	558865072	DGINSSYZCMEGDC-ZDUSSCGKSA-N	413.449	5.614	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccc(Oc4cccnc4)nc3)c2)c1	562002556	KBYJEKPIIJPKMJ-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@@H]1c1csc(C)n1	562021772	MHWHQHBYSRIHDX-JOCHJYFZSA-N	415.566	5.315	30	20	HKED	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	562101258	BOMWEQRZGKADBS-PIPMEXSNSA-N	422.960	5.086	30	20	HKED	
CCC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1	562495805	OPPOKOGTIKCOND-ZEQRLZLVSA-N	404.558	5.007	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccco2)c2cccc(Cl)c2)cnc1C(F)(F)F	565354193	MMLWHQOPJSJSED-UHFFFAOYSA-N	405.763	5.065	30	20	HKED	
C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@@H](OC1CCOCC1)c1ccccc1	569163403	FEKWEPCHXKFYEU-QVKFZJNVSA-N	404.432	5.314	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571132378	CNQWCICMFAWDAB-QZTJIDSGSA-N	414.509	5.698	30	20	HKED	
COc1c(C)ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C	576067000	BPZVNEYMFMEGHX-UHFFFAOYSA-N	411.933	5.082	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2ccccc2Cl)n1	582079451	HUYXJDUPXIQUMB-UHFFFAOYSA-N	414.962	5.459	30	20	HKED	
C=CCN(C(=O)c1ccc(N2CCC(C)CC2)nc1)c1nc(-c2ccccc2)cs1	589978475	MFSOPXFZDNYZEI-UHFFFAOYSA-N	418.566	5.274	30	20	HKED	
N#CCc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1	603458966	VHNMIKVHJMWJHB-FBMGVBCBSA-N	405.457	5.633	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	604003576	FYTMOHRLZGMNIT-MBSDFSHPSA-N	414.505	5.619	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)n2)cc1	604295373	UCVQNQJVWFDGLZ-UHFFFAOYSA-N	423.925	5.022	30	20	HKED	
CCCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](C)c1ccc(C)o1	604495023	BWSDETBDYWFIDP-KRWDZBQOSA-N	422.554	5.902	30	20	HKED	
COc1nc(C)cc(C)c1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	608995766	YDNWALNAMJYWAH-UHFFFAOYSA-N	416.481	5.001	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCCc2occc21	609079349	YFENURDERFKHCC-JOCHJYFZSA-N	401.466	5.238	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N	609151826	OJBVKXYGBQMRKA-KRWDZBQOSA-N	415.880	5.084	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)CC3	609209089	XCPOUNZPZPXKQK-UHFFFAOYSA-N	422.488	5.731	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1C(F)(F)F	609398026	BPPANJSYERHHDI-CQSZACIVSA-N	407.461	5.621	30	20	HKED	
Cc1cccc(COc2cccc(NCC(=O)Nc3ccccc3SCC#N)c2)c1	609535951	WCZYUBMAOQSIQU-UHFFFAOYSA-N	417.534	5.240	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)s2)cc1	609545513	RPLWFDNBONMDRI-SFHVURJKSA-N	422.941	5.280	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccnc2N2CCCC2)c1	609727749	XFBGISVEESUKBT-UHFFFAOYSA-N	418.884	5.251	30	20	HKED	
Cc1c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n[nH]c1C(F)(F)F	609730650	CCDWULXVEIKIGJ-UHFFFAOYSA-N	420.778	5.307	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccco3)cn2)c1	609928225	QFVYVHCKDHPSOG-FQEVSTJZSA-N	402.454	5.488	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@H](c3ccccc3)c3cccnc3)c2)cc1	609988118	LKAPHBJOJGISCD-RUZDIDTESA-N	404.473	5.216	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)CNc2ccc(C#N)cc2)C(C)C)cc1	610204715	YLPAJPDTNYASTD-UHFFFAOYSA-N	413.521	5.083	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)nn1	610329726	XHBDCDZRHMRILY-UHFFFAOYSA-N	415.497	5.139	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(CCOCc2ccccc2)CC1	611169367	BFZSLHSAZKTQSM-SFHVURJKSA-N	409.555	5.199	30	20	HKED	
C=CCN(C(=O)c1cnc(C)cn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	641891449	KJAZGZFGYPZIHW-UHFFFAOYSA-N	412.518	5.408	30	20	HKED	
CC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C	677698911	ACRCSAPMKIZGGK-UHFFFAOYSA-N	400.503	5.614	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)N[C@@H](C)c1cccs1	726484983	HYCLISODBQQZJW-INIZCTEOSA-N	409.555	5.710	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc3c(c2)OCCCO3)cc1	727274893	IDAMSRFGOYRGFW-OAQYLSRUSA-N	415.518	5.312	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1	727589170	LSFBJMZNARXUAX-BJKOFHAPSA-N	415.468	5.087	30	20	HKED	
O=C(Nc1cccc(SC(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	727597492	GAVKQGVZEFXSQQ-RKDXNWHRSA-N	422.341	5.596	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ccc(O[C@H](C)C#N)cc1	728698054	LAGUQTMTSQMXFS-WTKLMOFPSA-N	408.910	5.959	30	20	HKED	
CC(=NOCc1nnc(-c2cccc(Cl)c2)o1)c1nc2ccccc2n1C(F)F	730098384	GEINANFUYXYOMC-UHFFFAOYSA-N	417.803	5.076	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc2cc(F)ccc2s1	730417131	LCBLPLKKORMBRM-GOSISDBHSA-N	402.450	5.428	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1-c1ccc(C#N)cc1	731025808	NWNYLUQKRKBJOD-MRXNPFEDSA-N	414.534	5.470	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	731400499	PQYQBCGJGMERAM-KRWDZBQOSA-N	418.566	5.974	30	20	HKED	
CC(=NOCc1noc(-c2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F	731445521	HMKPRJMHBFMRLJ-UHFFFAOYSA-N	417.803	5.076	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	731589586	ZJBSUSNONSZISU-MIWMXLOXSA-N	421.500	5.187	30	20	HKED	
COCCOc1ccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cc1	731937495	IIYNRQONHCBECG-JQIJEIRASA-N	409.482	5.187	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)cc2)cc1	733031403	LNPAZQDSJMENLA-HSZRJFAPSA-N	419.431	5.998	30	20	HKED	
N#C[C@H](C(=O)[C@H]1COc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1	733680077	VCZKMXORJDZNGG-CABCVRRESA-N	415.301	5.469	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2SC2CCCC2)c1	733842951	GLBDHPOEPFVWOH-SFHVURJKSA-N	409.555	5.724	30	20	HKED	
COCCOc1ccc(C(=O)/C=C/c2cnc(-c3ccc(C)cc3)s2)cc1OC	734304786	WLTMFTGRFDFFFL-MDZDMXLPSA-N	409.507	5.048	30	20	HKED	
C=CC[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccncc1	734457772	ONAZSYOVGVAUDY-CQSZACIVSA-N	421.747	5.759	30	20	HKED	
CC(C)[C@H](CC1CCCCC1)C(=O)OCC(=O)Nc1ccccc1SCC#N	734613246	BEGSLLVZLYBPHN-SFHVURJKSA-N	402.560	5.027	30	20	HKED	
Cc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(C)n1-c1ccccn1	739751545	OQMIQAJDTFCBFY-UHFFFAOYSA-N	412.518	5.019	30	20	HKED	
O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741841138	DAVWKVABHVFFEE-YWEYNIOJSA-N	423.239	5.226	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc2c(c1)COC2	742437093	RMLAICVVFFBGCB-WCIBSUBMSA-N	403.865	5.519	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1SCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	744034295	GGBGQRFZXRAQMR-FXAWDEMLSA-N	410.951	5.670	30	20	HKED	
CC(C)Oc1ccccc1C=NO[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1	744442810	FIZMBWKOPVSZSL-AWEZNQCLSA-N	419.403	5.654	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)CC3CCC(c4ccccc4)CC3)o2)cc1	744983951	IVZRNJVLCCDNPC-UHFFFAOYSA-N	401.466	5.016	30	20	HKED	
N#CCCN(CC1CC1)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12	746597831	UOVSVINJQJXKNW-UHFFFAOYSA-N	412.518	5.277	30	20	HKED	
CCCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)c1ccc(C)o1	746661008	WVMRHVAGPXABCP-HYBUGGRVSA-N	415.537	6.639	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(Cl)cc(Br)c1	747201685	ZUSDBFFLOJDNNM-HNNXBMFYSA-N	415.674	5.098	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	748804401	UTAGGMZDZGHTRE-UHFFFAOYSA-N	417.818	5.473	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	748840057	VXOYFFPEQKAAGJ-UPJWGTAASA-N	400.475	5.438	30	20	HKED	
N#Cc1ccc(/C=C2/CC3(CCOCC3)C/C(=C/c3ccc(C#N)s3)C2=O)s1	751516357	ACUUBTRAEHYNPU-VULZFCBJSA-N	406.532	5.180	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(OC)cc1	752476916	FXJWVMGFMOKZKS-VGSWGCGISA-N	400.478	5.080	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN(Cc1ccccc1)C[C@H](O)c1cccs1	756060979	XTBHWTIZOGUZSY-FQEVSTJZSA-N	412.942	5.040	30	20	HKED	
C[C@@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	756244614	VAJGFSWNJRGMPJ-XHDPSFHLSA-N	404.919	5.693	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	759912175	RYXQSBHCORNOIO-JOCHJYFZSA-N	408.461	5.950	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CCO2)c1	761783710	WMTFONZDCATLAP-QHCPKHFHSA-N	411.465	5.579	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)s1	763727067	YUWSNMVDLJQMCL-JOCHJYFZSA-N	416.550	5.519	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	766032314	CTORKCWEQDVAFU-QBFSEMIESA-N	404.378	5.075	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)C(C)(C)Oc1ccc(C#N)cc1	767646667	XJFXMKUNYJAGON-UHFFFAOYSA-N	422.525	5.144	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c(Cl)c1	768996297	SUKBUPAUYWRUJM-FQEVSTJZSA-N	411.914	5.041	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1	769247703	ITMTWCQSPLTKCT-DNVCBOLYSA-N	417.431	5.755	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CO2	770841551	NSHKWPRAEVRQCR-GJZGRUSLSA-N	416.424	5.284	30	20	HKED	
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	772236766	ISUCSKKASOGTID-NLFFAJNJSA-N	413.521	5.147	30	20	HKED	
COc1ccc(SC)c(OC)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	775658766	RYFFTGSQXXBDMT-IBGZPJMESA-N	418.518	5.333	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl	776821621	LXLJTEHKDTYCHO-UHFFFAOYSA-N	412.276	5.428	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCCN1c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	786311716	MJLBWZPSOWYPHW-ICSRJNTNSA-N	407.926	5.309	30	20	HKED	
Cc1nc(F)ccc1CN1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	787273755	GLAHNIWAFUONDR-INIZCTEOSA-N	422.344	5.140	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	788351437	YWYULXUMWPBAOJ-YSIASYRMSA-N	418.518	5.116	30	20	HKED	
C=CCC[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	792875738	JKOYKKMHOFBDEO-KRWDZBQOSA-N	409.364	5.319	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/Sc3cc(F)ccc3F)n2)cc1	797944213	AJSCFXACQJTNFJ-WAVCKPEOSA-N	423.469	5.442	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(Cl)c(C)cc2Br)c1	804381275	MCMXZSNYQXBRIL-AWEZNQCLSA-N	421.722	5.022	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCCCC2)no1	806200993	QXZJXTACLZDUTB-NRFANRHFSA-N	415.497	5.015	30	20	HKED	
N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cc(C(F)(F)F)ccn1	813216161	NWDQPGLYVXSNIU-HNNXBMFYSA-N	419.790	5.218	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2cccc(C(F)(F)F)n2)cc1	814576475	DGAPVNRNXZNHPH-FQEVSTJZSA-N	424.426	5.120	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)cc1	863940083	YGGQHVSPCIMSMW-MRXNPFEDSA-N	416.502	5.131	30	20	HKED	
CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1OC	915114162	FXRXXQOJAAIYKZ-IZZDOVSWSA-N	416.905	5.173	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)cc1	915986780	CHAXHRPOQXETPI-LFYBBSHMSA-N	415.493	5.087	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3ccccc3)cn2)cc1	918375180	ISVIJFQXLQUVBH-UHFFFAOYSA-N	421.525	6.165	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)CCC1	1786612310	ALNLXMMUBVDHMS-LJQANCHMSA-N	416.443	5.043	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CC4CCC4)CCC3)cc2)c(Cl)c1	1790767693	IHNVKWKORILAJW-UHFFFAOYSA-N	421.928	5.150	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccccc1	4285814	JNAUCZJZMTZRMF-QZTJIDSGSA-N	420.582	5.764	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)cc2)cc1	10173179	UFPJBEMXPJBZSQ-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
C=CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1	14723468	DQXMFVGFHSMSGM-UHFFFAOYSA-N	411.508	5.273	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1	21514858	VQGRRIIADUYNRC-VIFPVBQESA-N	417.815	5.192	30	20	HKED	
N#Cc1cccc(/C=C(\Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)c1	21958289	PKFBCCYENBKBNT-SXGWCWSVSA-N	407.857	5.399	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(CC#N)cc3)cc12	26384247	CIBXLTRQKKBFHB-UHFFFAOYSA-N	406.898	5.367	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c1C#N	30477524	KXJFVUYTEHGACI-LLVKDONJSA-N	405.445	5.062	30	20	HKED	
COc1ccc2cc(CNCc3cccc(OCc4cccc(C#N)c4)c3)ccc2c1	60972432	WOWHFUAKYVBVTR-UHFFFAOYSA-N	408.501	5.589	30	20	HKED	
COc1ccc(/C=C/C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC	97554342	XTZVTUFRPXPQLE-NTUHNPAUSA-N	400.434	5.020	30	20	HKED	
CN(C(=O)CNc1ccccc1NC12CC3CC(CC(C3)C1)C2)C1(C#N)CCCCC1	110266995	KPQPLQZOFRBUSD-UHFFFAOYSA-N	420.601	5.164	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	195662719	FXWDAFWEFUQOOX-FQEVSTJZSA-N	417.534	5.387	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1	195696758	MINNSLBQRISCOM-CQSZACIVSA-N	403.290	6.041	30	20	HKED	
C=CCN1CCC(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1	303276011	KWNHTCPTBXFWBI-UHFFFAOYSA-N	400.975	5.013	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1	303377597	LSFFSXVEJPJTEV-MAUKXSAKSA-N	422.579	5.917	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	304084173	WGDQMCLANXMEGN-OAUYIBNBSA-N	405.350	5.987	30	20	HKED	
CCCc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccccc1C	428223365	AWLBEWKEBYYYLG-UHFFFAOYSA-N	402.498	5.068	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)NC(C)(C)C	430624723	PDQCMABVASMUKD-HNNXBMFYSA-N	412.559	5.159	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)N(C)Cc1cccc(C#N)c1	431757980	XUSZFCNAJLACLT-UHFFFAOYSA-N	417.534	5.523	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccccc1	432762466	GXEXTYQBTMGGSP-LEWJYISDSA-N	407.514	5.191	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)[C@H](C#N)CCc3ccccc3)C2)nc2ccccc21	433343142	MDPPVQWUGAYWQB-FCHUYYIVSA-N	414.553	5.096	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4ccc(F)cc4C3)c2)cc1	434208333	RONKUHTVVUSFKT-UHFFFAOYSA-N	415.468	5.061	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccccc1	435607839	PDEJGFGPXWYQBF-OAQYLSRUSA-N	414.571	5.229	30	20	HKED	
Cc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cccc1OCC(F)(F)F	437948211	BOGLRSQBHRQKLL-HKUYNNGSSA-N	417.431	5.240	30	20	HKED	
N#Cc1ccc(CN(Cc2cc(-c3ccccc3)no2)c2ccc3nc(O)[nH]c3c2)cc1	440725198	IXLYQUCBMXJEAN-UHFFFAOYSA-N	421.460	5.002	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1nnc(C(C)C)s1)c1ccc(C(F)(F)F)cc1	440868915	QGPGQYUBWIMRNG-OAHLLOKOSA-N	412.481	5.187	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCc2sccc2[C@@H]1CC	460574820	GJIXNYGNFUYBFW-SFHVURJKSA-N	424.570	5.114	30	20	HKED	
C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1cccc(Br)c1	460943005	HCOBMMKUUSIVHB-IBGZPJMESA-N	424.346	5.020	30	20	HKED	
C=C1CCN(C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)CC1	461115323	TTZUSHDMRDWEJH-UHFFFAOYSA-N	406.345	5.190	30	20	HKED	
N#Cc1cccc(C2(C(=O)N[C@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)c1	464219379	BQONPLPESFNFMJ-IBGZPJMESA-N	417.509	5.046	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccccc1OC(F)(F)F	465252226	JKMGAQQTCMKZTQ-AWEZNQCLSA-N	423.460	5.344	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(Cl)c(C(F)(F)F)c3)ccc21	468823456	CSJGTNJPRUDRNO-UHFFFAOYSA-N	421.850	5.554	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCC(=O)Nc1sccc1C#N	469080917	VBBKFXZLQXZLBA-OAHLLOKOSA-N	410.568	5.073	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(Cl)cc1F	470346510	RTWUMMOZEJFGQC-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	471166197	SGIFABJHXMUDOJ-UHFFFAOYSA-N	403.935	5.198	30	20	HKED	
CSCc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1F	471784795	BHIUARAJZVXENH-UHFFFAOYSA-N	419.481	5.065	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	474523761	ZHBXOFZQZFWVOA-HSZRJFAPSA-N	418.928	5.318	30	20	HKED	
N#CCCCOc1cccc(CNc2cccc(-n3cc(C(F)(F)F)cn3)c2)c1	479428239	RZCNNNOYELGQCJ-UHFFFAOYSA-N	400.404	5.186	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	480794828	CPGQOGMIEFKXBC-KUHUBIRLSA-N	403.404	5.545	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1C	481401877	LQMURUGSDGZYBH-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1	484334885	DJJLJBHIIXYFGO-UHFFFAOYSA-N	416.330	5.482	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)c1	484801226	YPFXJDJMRFDTPC-UHFFFAOYSA-N	415.234	5.336	30	20	HKED	
CC(C)n1nccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	495635131	DAMXGCFWRSVKKN-HNNXBMFYSA-N	423.904	5.220	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(SCc2csc(C)n2)cc1	499088182	VOOMNVZRRKKKSL-UHFFFAOYSA-N	421.591	5.668	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccccc2Cl)oc2ccc(Br)cc12	499913152	INLHNPWEAMEMFH-OAHLLOKOSA-N	403.663	5.152	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1	502337313	AJMFIDXMQVVUBM-UHFFFAOYSA-N	412.921	5.657	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)nn1CCC#N	504129013	CWJQPXCCLOHZMU-UHFFFAOYSA-N	413.403	5.120	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCc1csc(Cc2ccc(Cl)cc2)n1	506784142	RYAFEFYUOGJJHY-UHFFFAOYSA-N	405.306	5.500	30	20	HKED	
COc1ccc(CN2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1OCCCC#N	510220617	DZYPRIIGDUZYFC-UHFFFAOYSA-N	417.553	5.547	30	20	HKED	
N#CCc1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1	511029915	NIDSUIDNMWCRFE-UHFFFAOYSA-N	401.413	5.076	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	511976962	KVAUBJOCMREDRW-WBMJQRKESA-N	414.365	5.407	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1	516245991	CPSNAVIOHYGKFS-HSZRJFAPSA-N	403.526	5.042	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)c1ccccc1Cl	516592343	QDXBOGTWRPWKLH-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)C2CCCCC2)cc1Cl	517896679	OBSVYWDMAKWWBF-IFMALSPDSA-N	411.933	5.058	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	518166345	WVARDIVDYBEYOD-QHCPKHFHSA-N	418.566	5.210	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1	518388811	PQCASRRHBAORRC-VWLOTQADSA-N	410.533	5.137	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc([C@H](CC)c2ccccc2)s1	520740383	MVLNLSUSVAILNL-HXUWFJFHSA-N	419.554	5.396	30	20	HKED	
COc1cc(CS[C@H](C)c2nc(C3CC3)no2)ccc1OCc1cccc(C#N)c1	523936085	SZZZTUJSXCCPGS-OAHLLOKOSA-N	421.522	5.401	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1cccc(OC(F)F)c1	524492896	RJMGJIDKHDOBEA-MRXNPFEDSA-N	422.431	5.230	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1C#N	525351188	OENSGTHYBONUDZ-UHFFFAOYSA-N	408.392	5.143	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1)C1CCCC1	533062299	FSVBETNYMOGILE-MHECFPHRSA-N	407.583	5.398	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1COc2ccccc21	535889961	XGLOITGTVKUZGR-JTSKRJEESA-N	414.530	5.145	30	20	HKED	
C=CC[C@H](CO)CNC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	537115578	HSOJEBOHTKUIQZ-KRWDZBQOSA-N	424.520	5.038	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)cc1OCCCC#N	538780641	KAAMWYDZXACVBZ-LJQANCHMSA-N	418.512	6.035	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)oc2c(Br)cccc12	541091732	LESHHMVCTOPGBH-LBPRGKRZSA-N	411.280	5.604	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCC(=O)Nc3cc(Cl)ccc3C#N)s2)cc1	541660189	GHZYARYXRQJTNX-AWEZNQCLSA-N	424.957	5.241	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](C)c2nc(C)cs2)cc1	541745226	XLLAQERSJOASAI-AWEZNQCLSA-N	422.510	5.049	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1	541970302	IOHCHUMUUMJXPW-UHFFFAOYSA-N	410.930	5.774	30	20	HKED	
N#CCc1ccc(CN[C@H](c2cccc(F)c2)c2cccc(Br)c2)cc1	542223445	RRQMMPHKBAUPNF-QFIPXVFZSA-N	409.302	5.533	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	543852596	XQIDXWXMOVEIHL-KRWDZBQOSA-N	412.493	5.375	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1(C)C	545376138	ACWUNPKUXIYVIY-UIFIKXQLSA-N	408.929	5.575	30	20	HKED	
CC(C)CC[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	548900198	DJOZMTOUSGYHNZ-NRFANRHFSA-N	424.976	5.479	30	20	HKED	
CC1(C(=O)N[C@H]2CCCc3sccc32)CCN(c2ccc(Cl)cc2C#N)CC1	557612190	ZKIKCUGPFUTJTI-SFHVURJKSA-N	413.974	5.073	30	20	HKED	
COc1cccc([C@@H](C)CCCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1	567769325	ZMMAHWOOOMKWJH-SFHVURJKSA-N	424.516	5.050	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	574435765	RCSSRUOOZAQRHS-QGZVFWFLSA-N	415.276	5.174	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCc3cccc(O)c32)cc1Cl	578828498	OKYSSBCYZSAFRS-PMACEKPBSA-N	402.881	5.370	30	20	HKED	
CC(C)(C)c1ccccc1NC(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1	581343013	UQOAIPHLTRUAMD-UHFFFAOYSA-N	400.482	5.094	30	20	HKED	
CC(C)OCc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1O	589242449	WMIWZMLWZRFXJG-UHFFFAOYSA-N	418.453	5.020	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1	603468497	CYQJBYSMMRIUPL-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)N(C)Cc1cccc(C#N)c1	603655084	JQMHBQKPANZBJM-UHFFFAOYSA-N	422.710	5.037	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3coc(-c4cccs4)n3)cc2)cc1	604460740	YKNHDBKSKDSVPG-UHFFFAOYSA-N	416.462	5.389	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)n1	608808346	BSPDVMMIVQIQLQ-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(CN2CCCCCC2)c1	608920261	FWIJSNFCHCLTIO-UHFFFAOYSA-N	418.585	5.054	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc(C(C)C)ncc1Cl	609060390	COJAYNKTYIZDSS-UHFFFAOYSA-N	420.900	5.265	30	20	HKED	
CCC(CC)[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1	609212401	HQYSTGZCZOCAKJ-DEOSSOPVSA-N	405.542	5.289	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)NCc2ccc(C#N)cc2F)cc1	609252391	QHBYIWLODGFWGW-UHFFFAOYSA-N	405.429	5.210	30	20	HKED	
C[C@H]1CCN(C(=O)CNc2ccccc2SC[C@H](C)C#N)c2ccccc2S1	609384769	SJKDQUHGZJIRBG-SJORKVTESA-N	411.596	5.268	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccccc1C(F)(F)F	609398863	ZKCGIJVQCNOJSJ-UONOGXRCSA-N	407.461	5.840	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1	609428173	BAYSJCQKDDOCIK-ZDUSSCGKSA-N	413.955	6.110	30	20	HKED	
CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c1C	609965618	BOUNZXPMNMLDPZ-LLVKDONJSA-N	424.444	5.256	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1	610320930	LBPVNXVVUINYFU-KRWDZBQOSA-N	413.481	5.393	30	20	HKED	
C[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccc(C#N)c1	610345183	XDZIXUZLNJZOOD-OAHLLOKOSA-N	407.857	5.763	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccccc3SCc3ccco3)CC2)cc1	611247082	OPRGTUYNPOAXHW-UHFFFAOYSA-N	400.503	5.373	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(Cl)cccc2s1)c1nc2ccccc2n1C(F)F	613404707	VARLJWYAVXUALO-LLVKDONJSA-N	401.825	5.790	30	20	HKED	
C=CCOc1cccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	619109956	IKLOYRBXDYYQSL-UHFFFAOYSA-N	418.440	5.575	30	20	HKED	
N#CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)CC1	619817907	RIPBIMXQTAHORW-UHFFFAOYSA-N	412.324	5.040	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1c1ccc(O)cc1	642712734	ADFNJRDGHXIJLH-FQEVSTJZSA-N	424.932	5.230	30	20	HKED	
Cc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c(C)n1CC(F)(F)F	678215126	DDOSZKQCICEANQ-HNNXBMFYSA-N	410.333	5.230	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc(C(F)(F)F)c1	683089320	KSKGERXAQXSRRX-QWRGUYRKSA-N	422.291	5.608	30	20	HKED	
C[C@H](c1cccs1)N1C(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)SC1=S	726629170	JINGRMBCVJDVKF-QFGUUYLXSA-N	413.593	5.060	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)c3ccccc3SCC#N)cc2)c1	727807388	WHNCHJMUYGRWKD-LJQANCHMSA-N	416.546	5.681	30	20	HKED	
CCCCOc1cc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OC	729240323	HEVGORXEWWUQMI-XSFVSMFZSA-N	406.482	5.029	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)on1	730417089	KNVCBEIRGNRQAW-INIZCTEOSA-N	423.494	5.514	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc2cc(F)ccc2s1	730421464	KOGZUKBQZRYVHQ-LJQANCHMSA-N	408.498	5.566	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2s1	730686358	OICVHWYFIKMDSG-AOMKIAJQSA-N	420.440	5.571	30	20	HKED	
O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc(SCC(F)(F)F)cc1	741843298	OXDWYUHQZKUMGB-WAYWQWQTSA-N	402.850	5.600	30	20	HKED	
O=C(/C=C/c1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741845259	YVDGHWYOXFFRRU-LZCJLJQNSA-N	423.239	5.226	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(SC)c(F)c3)cs2)cc1	741848340	YCUJLKFTYHQIFN-WTKPLQERSA-N	415.511	5.488	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744062253	HRIJKWMKKVGEOP-SWLSCSKDSA-N	401.413	5.204	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1	746871790	NSRNVFHEEBTUPD-GOSISDBHSA-N	422.941	5.304	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1OCCCC#N	747361857	ZDESVVNIVGKTJT-YWEYNIOJSA-N	424.711	6.234	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COC(C)(C)C)c2C)c1	747573196	AMOWMKNRUMIYBZ-HXUWFJFHSA-N	409.530	5.313	30	20	HKED	
N#CCC[C@@H](/N=C\c1cc(Br)cc(Br)c1O)c1ccccc1	747690972	RRIRNQLBLUQALW-NBZOHKLQSA-N	422.120	5.381	30	20	HKED	
CCn1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc21	748489297	CGFAOHXCRDLNPU-FQEVSTJZSA-N	415.518	5.212	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)cc1C#N	752194599	SAAUHOVNDPASFS-UHFFFAOYSA-N	413.886	5.556	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1cnn(-c2ccc(Br)cc2)c1	754712686	PGPWVHAUBGFLAQ-UHFFFAOYSA-N	410.193	5.067	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(-c2ccoc2)c1	760965931	OZLFJXUSSDNMIZ-JOCHJYFZSA-N	422.440	5.700	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2c(F)cc(Cl)c(C)c2F)cc1C#N	761912935	PXMHPZPKCYHYLK-UHFFFAOYSA-N	408.792	5.011	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c(F)cccc1F	764563248	XJUTVOYFFVTRAA-GXSJLCMTSA-N	410.367	5.573	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	768137621	PMSWYMMNWSFVOI-OAHLLOKOSA-N	404.228	5.091	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2SCC#N)sc1Cc1ccccc1Cl	772122334	MQZPVLLGTHYMJL-UHFFFAOYSA-N	413.955	5.564	30	20	HKED	
COc1ccc(C[C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccc(OC)cc2)cc1	776154244	QLDYEYCPLNQJJF-BCHFMIIMSA-N	416.521	5.241	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1F	776727380	XNTLJYWKURETNK-FLIBITNWSA-N	404.828	5.499	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(N2CCSCC2)cc1	778008939	DKALHYQHMRARES-UHFFFAOYSA-N	415.518	5.156	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	780683379	HOYKTXRWMQSNDO-MRXNPFEDSA-N	402.498	5.179	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccnc4)n3)n2)cc1	783358218	YYYVNPYQNFEUDX-SFHVURJKSA-N	416.531	5.056	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12	785856570	KJEGBRZODCDQIU-QGZVFWFLSA-N	422.326	5.240	30	20	HKED	
COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	789032348	LOGZWMADRMDUOC-LOSJGSFVSA-N	413.521	5.063	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cnn(Cc3ccccc3)c2Cl)S1	789131470	YFFJRSPGFZAZKX-WOJGMQOQSA-N	422.941	5.093	30	20	HKED	
N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nccc2ccccc12	792102701	JCBBOAWNGOHHHW-QGZVFWFLSA-N	411.288	5.771	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1ccc(OC(F)(F)F)c(Br)c1	793064841	GTWFOOOVHVBWLK-LLVKDONJSA-N	415.209	5.251	30	20	HKED	
C[C@@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797570757	JWNMUKWRNGJQIR-WFASDCNBSA-N	405.361	5.258	30	20	HKED	
COc1ccc2cc([C@@H](C)OC(=O)c3cnc(C(F)(F)F)c(C#N)c3)ccc2c1	815474838	KAJSSJPDVSTIGY-GFCCVEGCSA-N	400.356	5.052	30	20	HKED	
N#CCOc1ccc(Cc2nc(-c3cc(Br)c4ccccc4c3)no2)cc1	815714773	IGRKETKNTIYBMH-UHFFFAOYSA-N	420.266	5.145	30	20	HKED	
COc1cccc(-c2nc(/C=C3/CC/C(=C/c4cccc([N+](=O)[O-])c4)C3=O)cs2)c1	818245386	JHBMLZBVDAUNAR-LRRBOCHQSA-N	418.474	5.557	30	20	HKED	
CC(C)(CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)CC(F)(F)F	883977887	ZHJSZATUIQPZPQ-IUCAKERBSA-N	401.313	5.381	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1OC	914507762	JBZJPCOXNJVIKF-ACAGNQJTSA-N	416.477	5.444	30	20	HKED	
CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S	914783322	VHSBGMAGIJNQQM-UHFFFAOYSA-N	417.563	5.093	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc(OC(F)F)cc2)cc1	915084920	AWVYVPCQVUUOIJ-JOCHJYFZSA-N	406.432	5.515	30	20	HKED	
N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2ccccc2)cs1	915102474	UFTGUVLKGAVFQZ-QGZVFWFLSA-N	417.465	5.413	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccco2)cc1	916208728	RCAKKKWDICTHBB-ZCYQVOJMSA-N	407.473	5.846	30	20	HKED	
O=C(/C=C\c1ccsc1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	916845229	RTZSFXKSDDFYJN-KTKRTIGZSA-N	418.568	6.382	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2)cs1	916975881	GFTJADWPJQLELP-AWEZNQCLSA-N	407.347	5.987	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccccc1SCc1cc(C)no1	917827518	ATLZKWQGFHXJRE-UHFFFAOYSA-N	408.523	5.112	30	20	HKED	
CCSCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	918488041	ZSKVASLWBOZCQT-OAHLLOKOSA-N	407.322	5.208	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	920113975	WEIHEMDWWVGKFZ-NQIIRXRSSA-N	402.519	5.505	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(F)cccc3Cl)n2)cc1	920138371	FVNHIDDPOFOYJY-OAHLLOKOSA-N	400.862	5.030	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(Cl)c4)CCC3)n2)cc1	920144061	XDOOATIUTXCDHP-LJQANCHMSA-N	422.937	5.770	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccccc3F)s2)cc1	920279641	JWCMOOQVVNZCHA-HXUWFJFHSA-N	413.477	5.857	30	20	HKED	
COc1cccc(C2CC(=O)C(=CNc3ccccc3SC(F)F)C(=O)C2)c1	920979695	UWRQIXVFFGBHPT-UHFFFAOYSA-N	403.450	5.022	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1	1825879320	RZDCUGUUIOASFU-JOCHJYFZSA-N	414.590	5.122	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828352590	OIKRUAZBHSPUNI-VXNXHJTFSA-N	412.618	5.121	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830251047	XTHGWLLVTSHWCJ-QHCPKHFHSA-N	400.607	5.121	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(C)c(C)c2)nnc1-c1ccccc1OC	6076773	VDMADQSUXXUKAL-QGZVFWFLSA-N	407.539	5.120	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1cccc(C)c1	22200888	IEOSIYQJPWGFLE-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(-c2cccs2)o1	41648270	PABPISFFWDSISF-UHFFFAOYSA-N	424.551	5.360	30	20	HKED	
CC(C)(C)N1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	58424556	AQNHHGPARUKGSG-OAQYLSRUSA-N	424.976	5.334	30	20	HKED	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCCC#N)c1	59771283	DOWCQPZVEPVURO-IBGZPJMESA-N	400.478	5.442	30	20	HKED	
COc1ccc(CN[C@H](c2ccccc2)c2cccc(Cl)c2)cc1OCCCC#N	237357702	FAVUHARMYIJOCE-RUZDIDTESA-N	420.940	5.910	30	20	HKED	
C=CCn1c(Sc2nc(-c3ccccc3)c3ccccc3n2)nnc1-c1cccnc1	301114875	YLDSKLWAOTWGOA-UHFFFAOYSA-N	422.517	5.288	30	20	HKED	
C=CCn1c(Sc2ccc(C(C)=O)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	302921296	LRITXJJAUHPPDH-UHFFFAOYSA-N	414.874	5.047	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C	303297248	CBBQKNGNBKRJFY-ZHRRBRCNSA-N	413.562	5.393	30	20	HKED	
CCC(CC)n1nccc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	432643167	ISSPSRNAXNWGKU-UHFFFAOYSA-N	404.489	5.098	30	20	HKED	
CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1	433543744	LLFNOGBRJOMNLA-UHFFFAOYSA-N	419.525	5.010	30	20	HKED	
C[C@H](NC(=O)N1CC[C@@H](CC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1	434335614	NXZCODNTQDBLGW-RDJZCZTQSA-N	401.432	5.270	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1	436125540	BKFFCXYFOSZKCC-UHFFFAOYSA-N	418.010	5.329	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	437805928	BVLNYHMHAQWMBI-AZOIQLNYSA-N	419.978	5.113	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)cc1	437833089	ALUAJFZUDSHRTR-XMMPIXPASA-N	417.553	5.487	30	20	HKED	
CCSCC[C@H](C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	437894242	HLFYHQKPKMYAIX-SFHVURJKSA-N	411.571	5.327	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(Cl)c1	438823140	YCSGOBJHRFZJCX-HNNXBMFYSA-N	416.959	5.003	30	20	HKED	
N#CCC[C@H](NC(=O)NCc1cccc(COCc2ccccc2)c1)c1ccccc1	438852904	SOWLJNUFZCGTLE-VWLOTQADSA-N	413.521	5.248	30	20	HKED	
COc1cc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)ccc1C#N	440638519	ODBNDIUETYRWHC-MRXNPFEDSA-N	413.237	5.113	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	443862251	YQFNIVMYIDHQMX-MRXNPFEDSA-N	422.460	5.037	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	443882534	JPSONEWYULJNCT-UHFFFAOYSA-N	415.440	5.499	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1nc(C(C)C)c(C)s1	447472471	PSNCMKRFRUCTIL-UHFFFAOYSA-N	419.550	5.515	30	20	HKED	
CC[C@H](N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1	447603463	XSBYMORRQSXQNN-ROUUACIJSA-N	411.265	6.055	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)c1ccc(Br)s1	463461719	QARYZKDSMXRPHG-SNVBAGLBSA-N	404.782	5.544	30	20	HKED	
N#C[C@@H](C(=O)c1cc2sc3ccccc3c2s1)c1cc(C(F)(F)F)ccn1	464428965	VAUOSAPYLHQCHP-GFCCVEGCSA-N	402.422	6.020	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccccc1Oc1ccccc1C#N	466549672	DVVZJIVCYVUCJE-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)Nc1cc(C#N)ccc1C	467176218	NVUJZZOQIUKNFR-UHFFFAOYSA-N	418.884	5.725	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccsc4)C3)cc2)c1	467556168	XIYDQSPCRKAVOV-OAQYLSRUSA-N	405.479	5.017	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2n1C	474900788	OALWSIWMVOSZDO-HXUWFJFHSA-N	414.896	5.443	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1	474949723	DBZZCKOOYJBOGS-UHFFFAOYSA-N	408.395	5.157	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1nc2c(s1)CCCC2	475616203	DZTBAIZAPBGOFC-CQSZACIVSA-N	400.573	5.080	30	20	HKED	
CCCC(C#N)(CCC)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	475739133	MSFOAEIMFQXBHW-UHFFFAOYSA-N	409.477	5.350	30	20	HKED	
N#Cc1ccc(CNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1F	479459609	YNEDYPBUYQSVFY-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2CC)nnc1-c1ccccc1C	481335303	CYMQWQTXPKEZFI-QGZVFWFLSA-N	406.555	5.121	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2C)c1	482343026	LWGYECKCEIDQJI-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3nc(-c4cc(F)c(F)c(F)c4)no3)c2)cc1	486456320	FBWRRMWBSRVREN-UHFFFAOYSA-N	422.366	5.430	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)o1	487473033	LPOKTDGKHFPRHZ-FQEVSTJZSA-N	404.466	5.032	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1COCc1ccccc1	487845280	SQOMMUYFQPBMPE-VWLOTQADSA-N	414.505	5.317	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)Cc1ccsc1	495232402	XQSCVUWATHTYFC-IAGOWNOFSA-N	401.601	5.034	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1	500112501	OALLUWGPJNPCBB-MBSDFSHPSA-N	400.482	5.279	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1	502288301	ALSULWLSLKJJMH-UHFFFAOYSA-N	406.417	5.340	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)n1	505351342	SQDZUKALUSFEGZ-MRXNPFEDSA-N	415.280	5.161	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Cl)c(Cl)c1	505982605	UBEWDRSEKHAWBZ-QGZVFWFLSA-N	418.255	5.101	30	20	HKED	
N#CC1CCC(CNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1	508365963	CMIILWUJSHKSPP-UHFFFAOYSA-N	404.297	5.240	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N1CCC(C)(C#N)CC1	508495845	JLBKVAFCQCPLTD-CQSZACIVSA-N	402.951	5.168	30	20	HKED	
O=C(NCc1ccc(C(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	508744263	AVTUBEVITRHASV-OAHLLOKOSA-N	408.317	5.337	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Cc3c(F)cccc3C#N)s2)cc1	513280526	AKHPCNQSWJQCCG-MRXNPFEDSA-N	407.514	5.200	30	20	HKED	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc(C)cs2)cc1	513676308	CGBSMWXVMYJRHD-FQEVSTJZSA-N	412.518	5.357	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccc(Cl)c2OCC(F)F)c1	514810765	VXQFUUOGQZAXLI-UHFFFAOYSA-N	408.832	5.043	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc(C)c1OC(F)F	517426026	HIUNILWATLVXNS-ZDUSSCGKSA-N	406.841	5.658	30	20	HKED	
COc1ccc(N(Cc2ccccc2)C(=O)CCCCOc2cccc(C#N)c2)cc1	517684973	DHMCVAMWXYBACD-UHFFFAOYSA-N	414.505	5.349	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1	517781074	BDJXDDJZESKIIB-UHFFFAOYSA-N	418.472	5.005	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc1	518907290	WSXFTDOXHKWYRK-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CC[C@](C)(C#N)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	519465004	KCDDXTYONQCLNL-HXUWFJFHSA-N	403.404	5.145	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	520681836	BIDREDYLBNCIDH-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(Cc2cccc(Br)c2)C2CC2)cc1	520827983	VWGVEDDFLPMOMG-UHFFFAOYSA-N	412.331	5.447	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nccs1	521747764	YNQHHTPDORZXDD-KXBFYZLASA-N	408.552	5.306	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2cc(F)ccc12	522988607	KUIZJQINMGMNHG-UHFFFAOYSA-N	415.443	5.402	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)cc2)cs1	533046701	GNSWDISONLGYBN-HSZRJFAPSA-N	421.591	5.389	30	20	HKED	
C=C[C@H](CC(=O)N(CC)[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccccc1	534682094	FVOSEFKIXGBGMV-CJAUYULYSA-N	406.476	5.658	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1C1CC1	534839437	LNFCFOZQWQJRHX-YJBOKZPZSA-N	404.539	5.654	30	20	HKED	
COc1cc([C@H](C)NCc2ccccc2C(C)(C)C#N)ccc1OCc1ccccc1	537052425	FHHCCHKNYKSEFF-FQEVSTJZSA-N	414.549	5.926	30	20	HKED	
C=CCc1cc(CNc2cccc(-c3nnc4n3CCCCC4)c2C)cc(OC)c1O	537731227	VFCYDEOJGYDXHR-UHFFFAOYSA-N	418.541	5.035	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc(OC)c1OC	540312764	BEUILFSYIITHTF-KRWDZBQOSA-N	402.494	5.102	30	20	HKED	
C[C@H](NC(=O)NCc1cccc2cccnc12)c1ccc(-c2cccc(C#N)c2)cc1	543016325	HRQCAMPMEFLHTG-SFHVURJKSA-N	406.489	5.334	30	20	HKED	
CC1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cn2)CC1	545449589	ZMNDOKXUCUBOGY-MRXNPFEDSA-N	410.930	5.071	30	20	HKED	
C=CCOc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	551270736	IHWSNIBJADOWDX-QFIPXVFZSA-N	405.460	5.528	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)cnc1C(F)(F)F	551592372	FMDZCZXXUAZIFE-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
N#Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)N4C3=O)cc2)c1	552777585	MCPYGKCSBKOZEQ-GOTSBHOMSA-N	409.445	5.023	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1	554480110	GYLIGFJWDCVISQ-UHFFFAOYSA-N	413.543	5.289	30	20	HKED	
N#CCCN(C(=O)CCC(=O)N(c1ccsc1)C1CCCCC1)c1ccccc1	555518284	IPODYGFSNCCPSR-UHFFFAOYSA-N	409.555	5.141	30	20	HKED	
Cc1cc(C(=O)NCC2(C#N)CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl	555899939	VTCZDIATPFTUHX-CQSZACIVSA-N	402.325	5.509	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	556996758	URQKHYQUTQQLCL-UHFFFAOYSA-N	413.443	5.995	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	568574340	KCGUXCHRQKDUIU-QGZVFWFLSA-N	413.477	5.326	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)sc2ccc(C#N)cc12	570111189	NULTXHHRDSJKOJ-UHFFFAOYSA-N	408.486	5.877	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)ccn1	571009581	LGMYQXONOCZIJK-LEWJYISDSA-N	404.857	5.077	30	20	HKED	
C[C@H](SCc1cc(F)c(C(F)(F)F)cc1F)C(=O)Nc1c(F)cccc1F	575779932	JUMZIMMRDOSWIL-QMMMGPOBSA-N	411.342	5.522	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccco3)cc2)ccn1	578822304	BHNAOEMGLKQQLX-NRFANRHFSA-N	402.454	5.488	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccc(F)c(F)c1	603601394	XWPCPKUINYNJAI-UHFFFAOYSA-N	411.433	5.063	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCCSc3ccccc3)cn2)cc1	603690428	JJVOGYICKUGCSN-UHFFFAOYSA-N	404.495	5.049	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)COc3cccc(Cl)c3)c2)cc1	603814307	HWCHFRRVPWMUSH-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNc2nc3c(cc2C#N)CCC3)cc1	603866857	KHCORYVMAXYQLW-UHFFFAOYSA-N	400.482	5.030	30	20	HKED	
C=CCCCCCN(C)C(=O)Cc1csc(-c2cc(Br)cs2)n1	606815810	DEOUPIXTSJRUAP-UHFFFAOYSA-N	413.406	5.381	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCOc4ccccc43)cc2Cl)cc1	609102127	DQIRZCVLVVJREQ-IBGZPJMESA-N	404.853	5.509	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)c(C#N)c1	609102517	GSALQOYYMNVFLC-LBPRGKRZSA-N	415.877	5.266	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Cl)cc1Cl	609438478	HDPNXIFONVBJTK-CYBMUJFWSA-N	408.354	5.752	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccccc2SCC(F)(F)F)c1	609498892	TZBVSEJNBLMCEI-UHFFFAOYSA-N	408.445	5.400	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc2)nc1	609500054	NCBWQIRPWQNQKD-NRFANRHFSA-N	403.869	5.376	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N(C)Cc1ccc(C#N)cc1	609744928	CQSNIUCFRYVUAF-UHFFFAOYSA-N	401.514	5.014	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(-c3ccncc3)cc2)cc1	610052356	DTCPPBMIVYQQSK-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1C#N	610936415	PRFVNEGFHSMQDW-GOSISDBHSA-N	402.498	5.238	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]1c1cccc(F)c1	611049024	ATLKJBUKKXYBHK-DEOSSOPVSA-N	415.468	5.564	30	20	HKED	
Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)ccc1C(=O)OC(C)(C)C	611191676	ITPJQNRSCOPFJP-UHFFFAOYSA-N	405.281	5.381	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1	612308032	NQHQWVGBDJWLOX-LJQANCHMSA-N	404.392	5.050	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C(C)(C)C#N)cc2)c2ccccc2OC)cc1	614058798	XQLNEEVDGKEQPR-RUZDIDTESA-N	400.522	5.384	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC(c3c[nH]c4c(CC)cccc34)CC2)cc1OC	617321155	GYJXXLZPUJIJEB-UHFFFAOYSA-N	418.537	5.324	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@@H]2CCc4cc(C#N)ccc42)CCC3)cc1	618808254	ZYNUPYYDUVXAPI-NHCUHLMSSA-N	401.535	5.345	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2ccc3oc(C(C)C)nc3c2)cc(OC)c1OC	622949854	STHPBOGHLGRAJU-UHFFFAOYSA-N	409.486	5.019	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCC(=O)c3ccc4ccccc4c3)cn2)c1	642322398	LPQGJDQKFKSPGL-UHFFFAOYSA-N	421.456	5.500	30	20	HKED	
Cc1c(C(=O)/C=C/c2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727974075	FIOAHHFWYQJJEV-CMDGGOBGSA-N	409.423	5.139	30	20	HKED	
COCCOc1ccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1	730464818	JXDXWWYJCFQVAR-VKAVYKQESA-N	409.482	5.187	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	731135805	KBTVYLJHTBRWAW-REWPJTCUSA-N	424.500	5.636	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	731644411	QQHGIPVNFNWOCM-QGZVFWFLSA-N	420.296	5.335	30	20	HKED	
N#C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1ccc(Cl)c(Cl)c1	731644835	UXNXHGXYKVBNPQ-FNQPIQQGSA-N	416.695	5.589	30	20	HKED	
C=CC[C@@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccncc1	734234561	QRLJENOBUJKELH-QGZVFWFLSA-N	417.456	5.580	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1OCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	734706825	ZCNFBZOUYCDKIS-QAPCUYQASA-N	416.424	5.195	30	20	HKED	
CC(C)Oc1ccccc1C=NOCc1ncc(-c2ccccc2Br)o1	742352364	PJACFMXNKYINJE-UHFFFAOYSA-N	415.287	5.442	30	20	HKED	
C#CCCN1CCC(NC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)CC1	743489046	CGPWFGVWSNJULI-UHFFFAOYSA-N	417.336	5.003	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COc2ccccc2)c1	745268052	IQVAFELUQXTDDJ-UHFFFAOYSA-N	417.465	5.394	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](OC(=O)c2sccc2C#N)c2ccccc2)cc1Cl	748105254	CGCHJVVMHJPICC-SFHVURJKSA-N	410.882	5.118	30	20	HKED	
Cc1ccc(SC2(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)CCCC2)cc1	750967543	VRXGSXMQTBRYAO-UHFFFAOYSA-N	419.506	5.065	30	20	HKED	
Cc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-]	752636253	JOURWIVBNDNZDC-VGOFRKELSA-N	414.465	5.441	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccn3)s2)CCOc2ccc(Br)cc21	753141830	JABUURQMGRZJPH-FMIVXFBMSA-N	413.296	5.016	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3noc(-c4cccs4)n3)cc2Cl)c1	754857040	IYDWLWYTWUAWET-UHFFFAOYSA-N	422.897	5.514	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	755341362	UMPLOWDVHQVYOW-IRXDYDNUSA-N	423.513	5.147	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755461028	TZOIFEBGNNCWOJ-URXFXBBRSA-N	402.542	5.237	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(C(F)(F)F)ccnc2Cl)cc1	759475288	JFRQRQWRYRQPQX-MRXNPFEDSA-N	415.802	5.662	30	20	HKED	
C[C@H](O)C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	759495280	NMQSZNYXIZZTQQ-DNVKUUNQSA-N	413.521	5.018	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2s1)c1cccc(C(=O)c2ccccc2)c1	762018886	JEATTXXAJSACHV-JXFKEZNVSA-N	410.498	5.507	30	20	HKED	
N#Cc1ccccc1NC(=S)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	767407236	CBFMCPVLFDXHRN-QGZVFWFLSA-N	408.527	5.185	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1	769222427	MCDZKQKWNWTLIC-CTNGQTDRSA-N	417.459	5.642	30	20	HKED	
COc1ccc(NC2CCC(C#N)(c3ccccc3)CC2)cc1OCc1cccnc1	770401024	BTFYKYCMKPWBKS-UHFFFAOYSA-N	413.521	5.485	30	20	HKED	
CN(CCC#N)c1ccc(CNc2ccc(OCc3ccccn3)c(Cl)c2)cc1	770543075	QENHMPMPNVAOCI-UHFFFAOYSA-N	406.917	5.276	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)n1	772677227	MGLKTGLOLMOQJI-GOSISDBHSA-N	413.930	5.396	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OC[C@H](C#N)Cc1cccs1	772732143	GHAJFHCTOZPDDU-LBPRGKRZSA-N	404.850	5.043	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)c1	772983435	KHZZRTAHYASLFW-AVRDEDQJSA-N	408.546	5.092	30	20	HKED	
C=CCN(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S	777541209	PHJFTMWXBFYJDI-UHFFFAOYSA-N	409.342	5.104	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2ccc(OC)cc2)ccc1OC	779102233	SLLORFSELGYTFC-ATIYNZHBSA-N	416.521	5.264	30	20	HKED	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C/C(=O)c2ccc(C#N)cc2F)c1	781111858	QSBLXZNTJNMMMG-PKNBQFBNSA-N	403.457	5.221	30	20	HKED	
C=CCN(C(=O)c1nc(Br)sc1C)c1nc(-c2ccccc2)cs1	788125323	VKRRBQRNMBVWEB-UHFFFAOYSA-N	420.357	5.170	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)c1nc2ccccc2s1	796628565	KHWVTQHOQHHEQP-INIZCTEOSA-N	407.495	5.442	30	20	HKED	
N#CC[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	796670479	MOCBPJBCQPLDRN-HZPDHXFCSA-N	407.445	5.352	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)O[C@H](C)C2	797568329	PZYZWZXSOIMPQH-KCEHYLLSSA-N	410.539	5.052	30	20	HKED	
Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	804512345	OYQCXSUNIMFCAG-SANMLTNESA-N	410.517	5.120	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	806678385	GCCSONZJMXCYOE-HNNXBMFYSA-N	415.752	5.208	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1	809319610	LKEPVXIQBOOQTB-UHFFFAOYSA-N	407.779	5.199	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C)c1ccc(Cl)cc1	810174007	NHAJOADYYXESKO-OAQYLSRUSA-N	417.896	5.397	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	814576716	GRCGMKOJXLFZSC-LOSJGSFVSA-N	408.505	5.899	30	20	HKED	
CCCOc1ccc(C=NO[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC	852087536	MQZZLFTWILLMRE-INIZCTEOSA-N	418.921	5.132	30	20	HKED	
N#Cc1ccc(OCCCSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1	915789989	WKZIZGWFDQGVQR-UHFFFAOYSA-N	416.506	5.019	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cn2)cc1	916074176	NOKQXQVTSDBPBL-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1ccc(Oc2ccc(OCC(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)cc1	916848812	IEYICHYKPCUKSC-HSZRJFAPSA-N	408.457	5.591	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(Cl)cc1Cl	916905503	DLXNVIBKIZWKIO-GOSISDBHSA-N	417.336	5.398	30	20	HKED	
N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1	916936185	CQXSJCKUUAAKHD-FQEVSTJZSA-N	420.871	5.349	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3ccccc3)c2)cc1Cl	916937269	BSIOJYIEYTUCIX-IBGZPJMESA-N	420.852	5.102	30	20	HKED	
COc1ccc2cc(/C=C3\SC(=S)N(c4ccccc4C#N)C3=O)ccc2c1	917644220	AXAJXDLHIXKZIJ-JAIQZWGSSA-N	402.500	5.126	30	20	HKED	
Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(OCCCC(=O)O)cc3)cs2)cc1	918711771	ADRBXZSKSZCWGE-JLHYYAGUSA-N	407.491	5.258	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)s1	918713699	UAOGWLXIMVIMBB-UTCJRWHESA-N	405.884	5.031	30	20	HKED	
COc1ccc(OCc2nc(/C=C3\COc4cc(C)cc(C)c4C3=O)cs2)cc1	920066033	ICFLOXCTCKEHIB-MHWRWJLKSA-N	407.491	5.006	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)ccc2c1	920102808	ZMCOCFJOQTUQSD-QWDXWUACSA-N	408.457	5.243	30	20	HKED	
FC(F)(F)c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3cccs3)o2)cc1	920365440	BFSQZNMJKKOWLL-UHFFFAOYSA-N	420.441	5.456	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4=CCCC4)cc3)CCC2)c1	1787624500	DZKBDQCLKNTICD-SFHVURJKSA-N	413.521	5.172	30	20	HKED	
CC(C)/C=C/C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1	1792061349	WSXBMQAAZSWZBO-BNOPAZPUSA-N	415.537	5.274	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)C2	1798592825	KEKMEJQLNLRSAI-IROFBDHCSA-N	414.634	5.224	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCCC2)CC1	1823750817	UJIHESSGNFSKOK-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1	1831371616	XDUARHCHYPHNMO-CJFMBICVSA-N	418.581	5.285	30	20	HKED	
C=CCn1c(SCCc2ccccn2)nc2scc(-c3cccs3)c2c1=O	12263602	NIOLIOACMYVEOQ-UHFFFAOYSA-N	411.577	5.102	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	46534165	BIWJBBREVNMICW-CHWSQXEVSA-N	415.349	5.411	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	46706950	NBWSPKFWVABEAB-INIZCTEOSA-N	405.523	5.063	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccn2)C2CC2)cc1Cl	47565587	HXDOUDNTIKUDBL-QFIPXVFZSA-N	416.912	5.587	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Br)s1	109263049	QTJKRRZPLHQMFH-UHFFFAOYSA-N	406.374	5.171	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1	303467980	PXJRNUBOSYXNTB-OAHLLOKOSA-N	424.472	6.404	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(-c2ccccc2)cs1	410302949	OLQGZPLCAGARQU-QGZVFWFLSA-N	409.514	5.840	30	20	HKED	
Cc1cnc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)[nH]1	427187134	VZDNRNHCOIXZSN-UHFFFAOYSA-N	408.461	5.610	30	20	HKED	
N#CCC1(CNC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)CC1	432168397	WCUQPAXFMFGPHA-UHFFFAOYSA-N	411.371	5.175	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCC(C(F)(F)F)CC1	435617546	WFVYZILKGHKFCT-UHFFFAOYSA-N	418.434	5.908	30	20	HKED	
O=[N+]([O-])c1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	436402542	XZJJARHAXJZBGF-HNNXBMFYSA-N	410.289	5.536	30	20	HKED	
CCOc1ccccc1C1=CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	438631292	JEMQDKRAXDLRPX-UHFFFAOYSA-N	415.415	5.297	30	20	HKED	
Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1	438767210	VGVFSTIZDBVFFG-UHFFFAOYSA-N	413.568	5.011	30	20	HKED	
CC(=O)c1cccc(OCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1	460344003	VAEKWKXIQKJSLU-UHFFFAOYSA-N	418.880	5.026	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1cccc(F)c1	461263913	KMJCELLNYWJMBW-KRWDZBQOSA-N	420.509	5.187	30	20	HKED	
C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1csc(-c2ccccc2F)n1	462804854	QUUBRDHZDBKPQU-FAEJEUNOSA-N	422.529	5.257	30	20	HKED	
COc1ccc(-c2noc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)n2)cc1	463229012	WJGGVMISNNGIJL-UHFFFAOYSA-N	416.412	5.160	30	20	HKED	
C=C(C)COc1cccc(NC(=O)Cn2c(-c3scnc3C)nc3ccccc32)c1	463558468	FOEVELGRSRRMAE-UHFFFAOYSA-N	418.522	5.062	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc1	463952540	DIJUKKKUCYFFSK-QHCPKHFHSA-N	402.457	5.094	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1	464823625	QTLDNYDRZAXWKG-BJKOFHAPSA-N	403.570	5.644	30	20	HKED	
N#CCSCCCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1	466614592	UXOYLCJZUMNJOH-UHFFFAOYSA-N	400.960	5.327	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2)n1	470591185	ODMIPQZIGYCNOZ-UHFFFAOYSA-N	400.360	5.493	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	471908139	WGOYTNSKRKNALQ-UHFFFAOYSA-N	420.557	5.541	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(CC4CC4)nc3C)n2)cc1	474966585	CCRXYYABJMSHNL-MRXNPFEDSA-N	409.536	5.026	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccccc1	477101973	PQLJRMNIIGPUBH-AZUAARDMSA-N	402.523	5.032	30	20	HKED	
Cc1nc([C@@H](C)N2CCN(c3ccccc3C#N)CC2)oc1-c1ccc(Cl)cc1	477140327	IZXDBVUNSKFSLP-QGZVFWFLSA-N	406.917	5.058	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)c2c(F)cc(C#N)cc2F)nc1-c1ccc(Cl)cc1	479211289	PQKQSJKOCMVBFW-SNVBAGLBSA-N	417.868	5.413	30	20	HKED	
O=C(NC1CCC(F)(F)CC1)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F	482347280	COKJQIXUYSCJBJ-LBPRGKRZSA-N	420.300	5.066	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c(Cl)c1	494634696	IGJVZGUMLIYFHO-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCCC12CCOCC2	502227906	MVYQQCHNYZUTKF-JOCHJYFZSA-N	405.498	5.130	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)c(OCC(F)(F)F)c1	502637804	WXHURFNMBIOLSM-UHFFFAOYSA-N	407.392	5.263	30	20	HKED	
Cc1ccccc1N(C(=O)[C@H](C)Oc1ccccc1C#N)c1nc2ccccc2s1	502774906	SCTLTNTVXQORPC-KRWDZBQOSA-N	413.502	5.609	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2ccccn2)cc1Cl	504301739	BTFHIFOKQBMHFK-HXUWFJFHSA-N	419.916	5.014	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449139	KQSCAQFDMZNYSX-GFCCVEGCSA-N	424.259	5.641	30	20	HKED	
C=CCn1c(SCc2cc(Cl)cc3cccnc23)nnc1-c1ccc(OC)cc1	505844178	DQFMBSZXSXKBRY-UHFFFAOYSA-N	422.941	5.634	30	20	HKED	
N#CC1(c2ccccc2)CCC(NC2CCN(c3nc4ccccc4s3)CC2)CC1	507634329	HDIDIXHVCPTOOJ-UHFFFAOYSA-N	416.594	5.259	30	20	HKED	
CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[C@H](C)c1ccc(C#N)cc1	509577453	ATNQBDILJKQESK-MRXNPFEDSA-N	422.916	5.194	30	20	HKED	
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	513200337	IDCNKFHOFOFHIU-QZTJIDSGSA-N	415.493	5.037	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1OC	513314827	PIXGAGBYPFBVQB-QGZVFWFLSA-N	400.478	5.124	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1	513659942	IFKIUFNQUUOEIB-KRWDZBQOSA-N	417.900	5.026	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2ccccc2[nH]1	513665614	GIDVJSINSBPOPO-ZDUSSCGKSA-N	420.881	5.020	30	20	HKED	
CC(C)(C)[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(F)cc1	514879995	GCNULLQUNLMNDQ-JOCHJYFZSA-N	409.505	5.038	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	515822987	WMYKMZKEGQSCCT-QFIPXVFZSA-N	424.331	5.796	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	516269857	AVFCUPYTMSKRKR-HXUWFJFHSA-N	401.491	5.351	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccc(C#N)cc1	516836263	CDDJOGITRLCELP-IVZQSRNASA-N	407.876	5.501	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1	517298052	FJIUAQUPHCTMSL-UHFFFAOYSA-N	418.305	5.392	30	20	HKED	
COc1ccc(CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1C	520315628	CBUWTCIOVOWSAX-UHFFFAOYSA-N	400.478	5.134	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	520714313	NEWAEBIBYBYEJH-BJKOFHAPSA-N	414.480	5.351	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3nc4cc(Cl)ccc4s3)o2)cc1	524138194	CWIUCFNAMNGUTC-UHFFFAOYSA-N	409.854	5.246	30	20	HKED	
CC(=O)N(c1nc(CN(CCC#N)CC(C)(C)C)cs1)c1c(C)cc(C)cc1C	533759613	IMZBNNSDHXLSHJ-UHFFFAOYSA-N	412.603	5.515	30	20	HKED	
CC[C@H](C)n1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C	539777630	UDECJLGIZRMOSH-YWZLYKJASA-N	406.917	5.724	30	20	HKED	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(Cl)c1	542063860	ODTXLATVXPSLTM-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cc(C#N)ccc2C)c1	542401292	DWJULYDTRNOVFG-ILBGXUMGSA-N	411.505	5.638	30	20	HKED	
N#Cc1ccc(CN(C(=O)NCc2ccc(OCc3ccccc3)cc2)C2CC2)cc1	544301205	XEFFPJSTVINEQX-UHFFFAOYSA-N	411.505	5.011	30	20	HKED	
Cc1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2ccc(F)cc2Cl)cc1	551798992	DQGCOJMKESBTGJ-HSZRJFAPSA-N	404.876	5.186	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	557727569	IAWGEHRXNRPJDB-QGZVFWFLSA-N	411.461	6.322	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1	560953866	BCZPMQMBRPICAM-LJQANCHMSA-N	414.521	5.796	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1)c1ccccc1C#N	561506854	BRAFOLRXAHGRGS-UHFFFAOYSA-N	420.516	5.137	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccccc1	569401693	BNSVEHHCKSTYIA-KRWDZBQOSA-N	421.953	5.436	30	20	HKED	
C[C@@H](NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1cccc(C#N)c1	588374444	KYPLFAQLBFKONN-CQSZACIVSA-N	422.941	5.164	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	606762247	BGZNAFQEQOQRJO-UHFFFAOYSA-N	420.431	5.051	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(NC(=O)CCC)c1C	606773030	ZVMTXDKZCBMWGA-UHFFFAOYSA-N	420.431	5.570	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	609046349	CPEPQIVXWSLBOW-QHCPKHFHSA-N	413.477	5.728	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)o2)cc1	609055050	VKTASUCYRNHCFV-UHFFFAOYSA-N	416.433	5.024	30	20	HKED	
CC(C)COc1ccc(C(C)(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	609376100	KPMOJCRVFGUUGR-GOSISDBHSA-N	410.583	5.889	30	20	HKED	
N#C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	609460435	QMPOQFLDYPXYHE-HNNXBMFYSA-N	423.847	5.282	30	20	HKED	
CCOCc1ccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	609498972	BOLYULPVYVADGK-UHFFFAOYSA-N	400.478	5.011	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)cn1	609643085	LRKUUJLTWQDUSX-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1	610318307	KYFUBXDKKAZOEO-NSHDSACASA-N	422.710	5.256	30	20	HKED	
COCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1	610557961	HDACQJLAJSIDLC-UHFFFAOYSA-N	407.898	5.024	30	20	HKED	
CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	611094073	ASJQDXVIJJEYGJ-AWEZNQCLSA-N	405.325	5.403	30	20	HKED	
Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	611301624	HIDZFJWMACFNLV-OXQOHEQNSA-N	404.901	5.582	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(C2CC2)cs1	612024703	JHJOQRASKYWBJW-CYBMUJFWSA-N	403.598	5.287	30	20	HKED	
CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	615496978	AKXMBCOCUNECRX-UHFFFAOYSA-N	411.465	5.281	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	618758619	FMXWQQRPBSOPBX-NRFANRHFSA-N	412.424	5.170	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc2ccccc2o1	619753912	HQMRFODDHUTXNU-IBGZPJMESA-N	402.837	5.550	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(Br)c1Cl	619800754	PTYOIEOOUHOHGN-UHFFFAOYSA-N	411.686	5.893	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1	640537442	PXFCBMMDSAUYEL-UHFFFAOYSA-N	423.541	5.403	30	20	HKED	
CC(F)(F)c1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	644650287	HHZGWKRMXDWYNP-VXGBXAGGSA-N	403.313	5.438	30	20	HKED	
CCn1cc(Br)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	725885332	XMMHBARMNVMXPH-LJQANCHMSA-N	408.299	5.178	30	20	HKED	
N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccc2ccccc2n1	726319151	ZUQSNSZHGPAYIW-HRTMPFAESA-N	417.553	5.056	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2cccc(C)c2)c1	726574051	ZJPWQJPPAGLIIC-UHFFFAOYSA-O	411.959	5.302	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)c(C)c1	726801363	IAIRZDMEKGDEMZ-ZHZULCJRSA-N	408.548	5.392	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	728062119	DXFMNNZDYKJNSZ-HXUWFJFHSA-N	413.521	5.502	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)c(F)c2)cc1	730176474	ZSBBDNCBAGKSOH-UHFFFAOYSA-N	404.441	5.436	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3sccc3SC(F)F)c2)cc1	730495299	AULFLRKIWCNTML-UHFFFAOYSA-N	402.447	5.979	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1	731399943	JNXWNKUUMVEKJJ-DLBZAZTESA-N	422.554	5.090	30	20	HKED	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	731400244	MIHMPKOZFONRDW-SFHVURJKSA-N	410.587	5.591	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732495899	JZHVVOHEPNVEKR-GOEBONIOSA-N	420.481	6.062	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2ccc3ccccc3c2)c1	733852202	TWHXOJKUUOGEQJ-HSZRJFAPSA-N	401.510	5.252	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	734081850	UOJYXVMMHFSYBZ-KRWDZBQOSA-N	420.494	5.042	30	20	HKED	
Cc1cc(C(=O)N[C@H](C)c2nc3ccccc3s2)c(C)n1-c1ccc(C#N)cc1	734140869	JQEQHAPYYPLWSM-OAHLLOKOSA-N	400.507	5.067	30	20	HKED	
CC[C@H](NC(=S)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccs1	734377723	ZQWBTPINBFHIFT-NRFANRHFSA-N	423.582	5.787	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC3CCCCC3)cc2)c1	734935234	OTJFYWKZXDNPFO-FQEVSTJZSA-N	407.514	5.401	30	20	HKED	
CC[C@@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C)cc1	738690764	PPFZOPORFYTUFV-IBGZPJMESA-N	402.494	5.173	30	20	HKED	
CCO[C@H]1CC(=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C12CCCCC2	741460579	OFYSWGSPJVQEGG-KRWDZBQOSA-N	419.451	5.085	30	20	HKED	
CCCCn1nc(C)c(C=NNc2c(F)cc(F)cc2Br)c1Cl	741771092	HKQYSFNRFIDBKV-UHFFFAOYSA-N	405.674	5.132	30	20	HKED	
N#CCSc1ccccc1C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1	742113085	QGAPNEBJOCBTKV-UHFFFAOYSA-N	410.445	5.303	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1-c1ccccc1	749911209	LCGLZITXDXDBEY-VWLOTQADSA-N	419.484	5.670	30	20	HKED	
Cc1nc([C@H](C)ON=C(N)c2nccc3ccccc23)oc1-c1ccc(Cl)cc1	763187360	SIPLYHWMOYMWAR-AWEZNQCLSA-N	406.873	5.250	30	20	HKED	
CC1(C#N)CCN(Cn2nc(-c3cccc(Cl)c3)n(-c3ccccc3)c2=S)CC1	779879403	LKEYPWIDSSOJRF-UHFFFAOYSA-N	423.973	5.307	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)CCC2	780422045	FQSLTVIHCLGUPW-HXUWFJFHSA-N	416.550	5.294	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cnc(-c2ccco2)s1	782144300	XHCPOHIFVBSIIL-UHFFFAOYSA-N	418.503	5.032	30	20	HKED	
N#CCCn1ncc(C(=O)OCc2cc3ccccc3c(Cl)n2)c1-c1ccccc1	784967934	KLJBPZCQTJHDKI-UHFFFAOYSA-N	416.868	5.022	30	20	HKED	
CC[C@@H](CC#N)OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	787086630	CDZZBFMDRSNJFE-CJTLSQLKSA-N	411.386	5.344	30	20	HKED	
C=CC[C@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccncc1	788792425	YUXBRALNYDKYPQ-UNMCSNQZSA-N	419.504	5.165	30	20	HKED	
CCc1cccc2c1OC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O	794726290	AXABGKCOUMLZQN-WJDWOHSUSA-N	422.481	5.188	30	20	HKED	
FC(F)(F)Oc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1	794774601	RMPZHPLCIHOKMH-UHFFFAOYSA-N	412.824	5.005	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2ccc(Br)cc2F)s1	797566269	DPWHNQOEORVGND-ZDUSSCGKSA-N	409.324	5.151	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(c3ccccc3Br)CC2)s1	797566601	OKBALBJYHJYRAU-GFCCVEGCSA-N	403.345	5.111	30	20	HKED	
C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797570413	GHJNSDNZLSPICB-RISCZKNCSA-N	423.401	5.560	30	20	HKED	
N#CC1(CCCOC(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)CCOCC1	800169948	IGOXDAFDOWBBSS-SKPFHBQLSA-N	415.961	5.333	30	20	HKED	
N#CC1(CCCOC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCOCC1	800205309	HAADEKSMCBQYNX-UHFFFAOYSA-N	415.839	5.034	30	20	HKED	
O=C1/C(=C/c2ccc(-c3ccccc3Br)cc2)CCc2nc(O)ccc21	800794910	UHGWQMCKWWELTA-DTQAZKPQSA-N	406.279	5.429	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)ccc1OC	806806969	RPQWGQPAACTNTJ-VLCRHTCISA-N	421.541	5.059	30	20	HKED	
COc1ccc(C(Cc2ccccn2)=NOCc2ccc(C(F)(F)F)cc2)cc1	807979092	MLQNLSFSYZKFLN-UHFFFAOYSA-N	400.400	5.273	30	20	HKED	
CC[C@@H]1[C@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1C(=O)OC(C)(C)C	810370241	CKNVJZUFAIWXEU-JFIYKMOQSA-N	417.575	5.055	30	20	HKED	
C#C[C@@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccc(Cl)cc1	811517533	UZXUHPOJOCOPGV-HXUWFJFHSA-N	413.905	5.084	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	814576718	GRCGMKOJXLFZSC-RPBOFIJWSA-N	408.505	5.899	30	20	HKED	
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cc(F)ccc1F	916134456	JQNNQIBKRSTHMR-FLIBITNWSA-N	401.416	5.168	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNc1cccc(OCCCC#N)c1	916844080	VQABVTYKXBQUIV-UHFFFAOYSA-N	415.324	5.782	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC	918712999	HUGRWRIXILQZSK-HJWRWDBZSA-N	419.424	5.742	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2	919992847	JMRUBYBLEBMUIP-UHFFFAOYSA-N	422.531	5.074	30	20	HKED	
CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920143442	ZVECWFJESQIEPC-LNYGYFNRSA-N	411.530	5.869	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCC3)CCC2)cc1	1791300544	WGJYLACDYZLLII-MDWZMJQESA-N	402.485	5.078	30	20	HKED	
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1	4516623	TZSXQCSYEYXWST-XDHUDOTRSA-N	419.550	5.544	30	20	HKED	
C=CCn1c(SCc2ccccc2OC(F)F)nnc1-c1ccccc1OC	11009014	SOARMJOSPPTZHI-UHFFFAOYSA-N	403.454	5.033	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)cc1	25118253	XPOCIBDNBYJSNO-UHFFFAOYSA-N	423.520	5.132	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(F)cc3)no2)nnc1-c1ccc(OC)cc1	32326481	KWFZEBFWDCUTLS-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccc(Cl)c2)CC1	49723893	SWEKONAXIRLCJO-UHFFFAOYSA-N	403.869	5.378	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	55903695	MDPKPYWAOHMKKB-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1	61079016	GNWFLJHICYZQJZ-HXUWFJFHSA-N	400.522	5.775	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1	65870005	XAKUFXJLIBSBCV-UHFFFAOYSA-N	404.441	5.152	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2ccc(O)cc2)CC1	97052865	FDAUZASUKDNEEU-UHFFFAOYSA-N	414.530	5.435	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N2CCCC[C@H]2CC)nnc1-c1ccc(Cl)cc1	104577958	FXBSLEQJTKQJMQ-MAUKXSAKSA-N	418.994	5.056	30	20	HKED	
COc1cc(-c2noc(CON=Cc3ccc(C(C)C)cc3)n2)ccc1OC(F)F	255474489	LGDMHJBSGCMRPY-UHFFFAOYSA-N	417.412	5.021	30	20	HKED	
C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C1	410356075	VRDWZNLQNZCQAR-IBGZPJMESA-N	404.558	5.041	30	20	HKED	
Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1Oc1ccncc1	428199733	OICHPBVHWFJTSS-UHFFFAOYSA-N	410.477	5.693	30	20	HKED	
Cc1cc(Br)cnc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	430086051	PKJVARDMMCJFRL-UHFFFAOYSA-N	422.282	5.263	30	20	HKED	
Cc1noc(C)c1COc1ccccc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430584169	OJKVVHYQGGYLBX-MRXNPFEDSA-N	409.511	5.115	30	20	HKED	
Cc1cccc([C@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)c1C	432197203	WQMWWFYDOKYWBL-HSZRJFAPSA-N	403.526	5.038	30	20	HKED	
CCN(C(=O)c1ccc(C#N)cc1C)[C@@H](c1cccnc1)c1csc2ccccc12	438827845	KKVBXKFOWKTNDB-DEOSSOPVSA-N	411.530	5.728	30	20	HKED	
CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	439339044	HPRFMUNISPPWNU-WZONZLPQSA-N	411.571	5.276	30	20	HKED	
COc1cc(CNCc2ccccc2-c2ccc(CN3CCCC3)cc2)ccc1C#N	440824050	SNMMMNNXCMRJEV-UHFFFAOYSA-N	411.549	5.119	30	20	HKED	
C[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccc(C(F)(F)F)cc1	441260704	NYRQKSBBTPIOTC-VBKZILBWSA-N	412.415	5.210	30	20	HKED	
N#CC1CCC(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)CC1	442113970	JGEBAOMUFXFNFN-BPZDKFOGSA-N	415.459	5.305	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C(F)(F)F	443866308	FEQWMDIPIITZIU-VIFPVBQESA-N	422.300	5.234	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)n1	447381371	GUVJPDBSQBMBNL-FXAWDEMLSA-N	403.551	5.631	30	20	HKED	
CN(C(=O)NCc1cc(F)c(C(F)(F)F)cc1F)[C@H]1CCCC[C@H]1C(F)(F)F	464391700	DXQUWWYPWXFWMF-YGRLFVJLSA-N	418.328	5.246	30	20	HKED	
N#C[C@H](C(=O)c1occc1CSc1ccccc1)c1cc(C(F)(F)F)ccn1	464412683	UIAIHAICDFYGBT-INIZCTEOSA-N	402.397	5.476	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1csc(COc2ccc(F)cc2)n1	464826322	ZRHISBPTMZLHTO-VXKWHMMOSA-N	407.514	5.133	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12	469765128	SNTXRCVDPJXQGM-AOMKIAJQSA-N	409.917	5.104	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	472758372	XQJSSEWLJDZMSK-XJABCFGWSA-N	409.555	5.431	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc(-c2cnc[nH]2)cc1	474939416	BDJNDKKIYLWPLR-GFCCVEGCSA-N	416.428	5.086	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2OC)cc1	476416128	FFGQDEUVWBDFOO-XMMPIXPASA-N	414.505	5.024	30	20	HKED	
N#Cc1ccc(C[S@@](=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1F	478353329	IJPKFRRILQBVGU-MUUNZHRXSA-N	424.444	5.289	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1cccc(Cl)c1	481374143	PTLZWFABFYQRGB-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
N#CCCN(C(=O)c1csc(Cc2cccc(F)c2)n1)C12CC3CC(CC(C3)C1)C2	486571656	NERSRKNWQWDTET-UHFFFAOYSA-N	423.557	5.198	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4ccc(C)cc4)o3)o2)cc1	489769966	SCUHIERLFNFLQW-OAHLLOKOSA-N	420.494	5.513	30	20	HKED	
C=CCOc1ccc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1OC	493037226	XRXBFIBRBJOLMT-UHFFFAOYSA-N	414.505	5.127	30	20	HKED	
Cc1nc(CCC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)oc1-c1ccccc1	505922168	FLBNZFMVTDZMPD-SFHVURJKSA-N	414.292	5.271	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(SCc4cccnc4)cc3)CC2)c1	505922408	HCEZRFAQYZISFD-UHFFFAOYSA-N	403.482	5.055	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1ccc(C(F)(F)F)cn1	507031558	LASKYYPNHBJGJH-SFHVURJKSA-N	416.786	6.036	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)o1	509524599	MQWJGADIDLSSBA-UHFFFAOYSA-N	421.928	5.663	30	20	HKED	
CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509857391	ZCEREPSUTMPVDE-UHFFFAOYSA-N	417.484	5.525	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@H](c1cccnc1)c1ccc(F)c(C)c1	511174580	IFVVFSQRKGLRIK-QFIPXVFZSA-N	407.876	5.306	30	20	HKED	
COc1cc(CN2CCC(C#N)CC2)ccc1OCc1cccc(C(F)(F)F)c1	512701066	HPAOUGROOKWYLU-UHFFFAOYSA-N	404.432	5.029	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1ccc(C(F)(F)F)cn1	513202970	VWOBPLAYVISMHM-AWEZNQCLSA-N	406.816	5.972	30	20	HKED	
CSc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	517787509	UNCGHBODEGZDSN-UHFFFAOYSA-N	404.495	5.131	30	20	HKED	
Cc1ccc(N(CCC#N)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1	518172983	BNPMGZZKCUFVGD-UHFFFAOYSA-N	403.718	5.064	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)cc1	519053729	QDHNODULPRYITK-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2[nH]1	519693577	JERNOSVFXKHODF-NSHDSACASA-N	413.289	5.483	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccccc2Cl)CC1	520196112	XTIQNNLXYPYNLM-MRXNPFEDSA-N	414.962	5.088	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	520837539	ZIHZXPLRFCJPCZ-HUUCEWRRSA-N	410.568	5.248	30	20	HKED	
N#Cc1ccc(-c2ccc(OCc3nnc(-c4c(Cl)cccc4Cl)o3)cc2)cc1	523298017	FDDAFHMCXUNYOU-UHFFFAOYSA-N	422.271	6.161	30	20	HKED	
C[C@H](Oc1ccccc1NCC(=O)Nc1ccccc1SCC#N)c1ccccc1	523753324	WARYYCUCONGOPI-SFHVURJKSA-N	417.534	5.493	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1	523808302	BDFCLKYJPSBKPD-UHFFFAOYSA-N	423.325	5.003	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)c1cccs1	523991552	GKZZEAGAMBVRLO-QFIPXVFZSA-N	403.551	5.524	30	20	HKED	
CCSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1	524393523	DHRWHPXSCKUTGS-GFCCVEGCSA-N	401.463	5.085	30	20	HKED	
COc1ccc(SCCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	524820385	VBCLDXDUBMCENP-OAHLLOKOSA-N	416.568	5.076	30	20	HKED	
CC(C)(C)Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n[nH]1	525603773	DWDNHDITZKNWIB-UHFFFAOYSA-N	404.539	5.415	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccn(-c2ccccc2)n1	532304230	YVHCVRRXNQNVNN-UHFFFAOYSA-N	408.461	5.026	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CC)c1c(C)noc1C	533846876	AHEKKOVAEMTMLI-KRWDZBQOSA-N	424.314	5.042	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(C(F)(F)F)cc1	534260473	GSKWIDMKVVNAPE-CJNGLKHVSA-N	409.456	5.015	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1Cl	534909553	IXZQEOPTGYWLAP-FQEVSTJZSA-N	403.869	5.376	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccc(F)cc1	539677849	FMEXPTAQJQZHQW-OAHLLOKOSA-N	410.861	5.073	30	20	HKED	
COc1cc(NC(=O)CCSc2cccc(Cl)c2C#N)c(OC)cc1Cl	541172746	FIODMQUNDSNWSV-UHFFFAOYSA-N	411.310	5.003	30	20	HKED	
CC(C)COc1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1Cl	541200527	RRNUBCBTMNUIMQ-CYBMUJFWSA-N	418.831	5.005	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	542957382	OLKAGFAHMCEJQF-UHFFFAOYSA-N	418.844	5.005	30	20	HKED	
CCOc1ccc(-c2noc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)cc1	543870171	RAIZUJNHAQEFFW-GOSISDBHSA-N	424.504	5.525	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	544613330	CMUPSZOAPSLPOZ-CYBMUJFWSA-N	410.474	5.180	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)CCC1	546127666	HWYNMPZHFCQXCY-QGZVFWFLSA-N	409.555	5.333	30	20	HKED	
Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2CCC(C#N)(c1ccccc1)c1ccccc1	549409009	JSMHEUGDDMSVGQ-UYPFPJBKSA-N	410.565	5.030	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnc(C)s1	549691047	STUMCQKMOAHSFK-AWEZNQCLSA-N	417.966	5.049	30	20	HKED	
CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	551267447	ZBCPLPAGPSUTTP-HNNXBMFYSA-N	404.285	5.092	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H](c2ccccc2)O1	553310604	FTUXJWZYHHTEJR-UUOWRZLLSA-N	413.477	5.344	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1SCc1cccs1	553435550	GTDWHZOSZYTGKD-UHFFFAOYSA-N	413.564	5.344	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc2n[nH]cc2c1	553993145	YWLNUSRZDVRTSU-SJORKVTESA-N	409.493	5.223	30	20	HKED	
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(I)cc1	556203393	MIHWUYWPOKGMFD-HNAYVOBHSA-N	404.295	5.377	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(C4CCOCC4)cs3)cc2)cc1	557719521	FVYVHPXAVPLUEY-UHFFFAOYSA-N	419.506	5.148	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ncc(-c3cccnc3)s2)cc1	561026418	WLACNZZRINWKCB-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1	570376842	VDRAOVQFYSDHAY-VWLOTQADSA-N	413.477	5.130	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)Nc2ccccc2CC#N)cc1	570621980	QAFKPTLYMJEWLZ-UHFFFAOYSA-N	423.541	6.033	30	20	HKED	
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cc(C#N)ccc1Cl	574552460	XPXWIYXUWPXAPX-NSHDSACASA-N	419.699	5.577	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)s2)cc1	576901883	HXXNCEONINCNND-GFCCVEGCSA-N	409.536	5.129	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N(C)Cc1cccc(C#N)c1	578513960	UXHJQOYXUHTKKP-UHFFFAOYSA-N	404.333	5.097	30	20	HKED	
CC[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	579719301	TYXLMLFFEWFZBQ-MDKPJZGXSA-N	423.944	5.019	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)n2)cc1	589196261	MOBKOIUBZNGDBE-CVEARBPZSA-N	413.424	5.443	30	20	HKED	
O=C(Cc1ccccc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	591129309	HJJHHNLFIQLSFM-GDNZZTSVSA-N	421.303	5.274	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1	592677810	NLICOEXFFZLJTC-UHFFFAOYSA-N	404.466	5.920	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	603691340	CPDMQLWPEHNZHX-QGZVFWFLSA-N	416.481	5.415	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603692267	FIYQNAHGFNIJRL-UHFFFAOYSA-N	412.902	5.514	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	603814319	UDYOCJJMJMEYQE-UHFFFAOYSA-N	420.896	5.311	30	20	HKED	
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1	603983559	GHNZCHKXMYCXDQ-UHFFFAOYSA-N	420.534	5.058	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1nc2ccccc2s1	607274187	FVUWFGQNHRUMPM-IBGZPJMESA-N	423.472	6.141	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)cc1	607806486	AZIKKWINAQSWNE-MRXNPFEDSA-N	416.443	5.262	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1	609019250	FPWUZAYMNIHVBC-UHFFFAOYSA-N	414.852	5.375	30	20	HKED	
N#CCn1c(C(=O)Nc2cccc(Cl)c2Oc2cccnc2)cc2ccccc21	609166479	DFJHWQMPKAYWSA-UHFFFAOYSA-N	402.841	5.258	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	609376458	AMMOBFRZDKEWFA-VHDGCEQUSA-N	405.350	5.987	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OC1CCOCC1	610019833	WCXJZJGTJBTYNU-UHFFFAOYSA-N	421.541	5.115	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C)c1cccc(C#N)c1	610361985	NFVRVIQOACOYTO-CQSZACIVSA-N	423.925	5.325	30	20	HKED	
CCCOc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	613404585	OTVIYYVBXZGBDJ-HNNXBMFYSA-N	404.413	5.594	30	20	HKED	
N#C[C@@]1(F)CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)C1	615529636	PUMUVDSQAYQDHZ-SFHVURJKSA-N	411.330	5.106	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)nnc1-c1cccc(C)c1	617940089	CMHCYBYLRXZESQ-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
N#C[C@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nnc2n1CCCCC2	642280888	CZWPPXGVXOUCMY-SNVBAGLBSA-N	405.310	5.016	30	20	HKED	
CSc1ccc([C@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	675737118	AAZLYSJYQIQBHT-FTYKPCCVSA-N	403.407	6.108	30	20	HKED	
Cc1ccc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc2n1	677559070	CZHAXPKSBFVZGM-OAHLLOKOSA-N	411.408	5.662	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1	682778023	WOIVPPFVKIHADG-QFIPXVFZSA-N	420.475	5.587	30	20	HKED	
Cc1ccnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1	683021657	HNWQWUZVCUCVGW-CQSZACIVSA-N	416.287	5.821	30	20	HKED	
Cc1cc(F)ccc1CN(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683093589	NCJUSQUYJFVWKF-NHAGDIPZSA-N	414.365	5.185	30	20	HKED	
CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726073382	AHRHWNRUINLTTJ-RPWUZVMVSA-N	411.505	5.550	30	20	HKED	
C[C@]1(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCCc2ccccc21	726322189	HEUDRCRXFLJGMQ-VFNWGFHPSA-N	414.452	5.786	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(F)ccc2OCC(F)(F)F)cc1Cl	726454660	ZWYRROQNTLYDBJ-UHFFFAOYSA-N	403.788	5.101	30	20	HKED	
N#CCOc1ccc(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c23)cc1	727826232	GVBMTRXMACDGLD-UHFFFAOYSA-N	412.518	5.750	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cccc(O[C@H](C)C(=O)O)c1	728441728	OXPLNKZZAVCOTF-PLSXKVAHSA-N	411.454	5.006	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	729070763	XUEAXCBAHKJTIU-KDOFPFPSSA-N	402.466	5.233	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNCCCc2ccccc2)cs1	729148215	RSXFROZMFZHLSZ-UHFFFAOYSA-N	412.946	5.037	30	20	HKED	
COc1ccc2oc(C(=O)/C=C\c3cc4cnn(C(C)C)c4nc3Cl)c(C)c2c1	729149888	GOBRQNKKHBZAAW-ALCCZGGFSA-N	409.873	5.625	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)n1	730684732	CPWVEXHFZPENJE-HNAYVOBHSA-N	400.862	5.241	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1	733852042	QPHYHTWIIBRROJ-FXAWDEMLSA-N	420.538	5.024	30	20	HKED	
O=S(=O)(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cc(F)ccc1Cl	734153463	FVBSBEKLUHDIPV-AWEZNQCLSA-N	417.207	5.011	30	20	HKED	
COc1ccc(CCNN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1	737440074	BQKPXRGXKRTXAV-UHFFFAOYSA-N	410.949	5.133	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)c1cccc(C#N)c1	743229363	PXCYCSUWQDHHRG-HOTGVXAUSA-N	408.502	5.027	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c[nH]c12	744062218	SWKKUUUEGMKOPB-HXUWFJFHSA-N	410.502	5.281	30	20	HKED	
COc1ccc([C@H](NC(=O)c2ccccc2OCC#N)c2ccccc2Cl)c(C)c1	744376822	CCHWTSIKZDNEBJ-QHCPKHFHSA-N	420.896	5.079	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2)n1	747197908	NRKLEHICGVPVOB-MRXNPFEDSA-N	413.593	5.814	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(F)cc3OC(F)F)c(Cl)nc21	748440116	HJKLPEYCPBZPQH-ZZXKWVIFSA-N	409.795	5.302	30	20	HKED	
N#C[C@H](C(=O)[C@H](c1ccccc1)n1cccn1)c1nc(-c2ccc(Cl)cc2)cs1	750668182	PAIVLXUWYUEZGD-QUCCMNQESA-N	418.909	5.126	30	20	HKED	
COc1cccc(/C(C)=C/C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	751831779	ZFUCKXMSCLIRCV-OQRGYWNNSA-N	416.424	5.603	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)CCCCc2nc3ccccc3s2)cc1C#N	752200343	QDYAGBUKROUAEB-UHFFFAOYSA-N	422.510	5.088	30	20	HKED	
CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC2CCC(C#N)(c3ccccc3)CC2)C1	753586220	FPTPAOVKDNXXJM-QNVARPAVSA-N	411.590	5.017	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Br)n1	755511276	PICWDHHAIXJHOJ-IBGZPJMESA-N	406.283	5.060	30	20	HKED	
CCCCCCN(C(=O)Cc1cccc(OCC#N)c1)c1nc2ccccc2s1	760343992	YVCADZNUESTBPH-UHFFFAOYSA-N	407.539	5.355	30	20	HKED	
Cc1ccc(Oc2cc(-c3noc(Cc4cccc(OCC#N)c4)n3)ccn2)cc1C	761726513	CVNKMAVFANZOAU-UHFFFAOYSA-N	412.449	5.034	30	20	HKED	
CC(C)Oc1cc(O)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	762697441	VQRYJTJBVVTJPV-UHFFFAOYSA-N	406.413	5.235	30	20	HKED	
CCCOc1cccc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	763004655	LNBAXFSRAGWZOI-MRXNPFEDSA-N	412.461	5.296	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	763079312	LNJLEUBINWFPOD-UHFFFAOYSA-N	419.453	5.697	30	20	HKED	
CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)CC1	767881695	HJOROCIGGOMHPY-UHFFFAOYSA-N	424.548	5.008	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ccc(F)cc1OCC#N	769994886	XZQXWAZFCGPILW-UHFFFAOYSA-N	409.486	5.071	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C/C(=O)c1cccc(-c2ccncc2)c1	774129301	DTJNWGSGGWXSOP-MDZDMXLPSA-N	411.910	5.092	30	20	HKED	
N#C[C@H](OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C1CCCCC1	776367798	LVUIGGCBHOVNSN-KRWDZBQOSA-N	402.903	5.283	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	777291270	NMXYRWPFUOWBMX-IBGZPJMESA-N	401.466	5.001	30	20	HKED	
CCSc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccn1	779396224	DKUIICHPKNRZEN-NRFANRHFSA-N	402.523	5.171	30	20	HKED	
Cc1ccc([C@H](Cc2ccccc2Br)NCc2ccc(C#N)cn2)cc1	783301690	ZVQMTMQNRJRVAC-QFIPXVFZSA-N	406.327	5.098	30	20	HKED	
COc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c(OCc2ccccc2)c1	784459442	MTNQLIFLBZXQPS-QGZVFWFLSA-N	417.465	5.209	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1	785678900	RDMOCMQJUZEALB-GOTSBHOMSA-N	419.912	5.505	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	786305714	BFQSBCBQTKJWPI-UPJWGTAASA-N	413.713	5.159	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(-c2cccc(C#N)c2)no1	790011623	WIGKNCVNICJVDH-SFHVURJKSA-N	423.472	5.322	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)Cc2ccccc2C(F)(F)F)ccc1OC	795802696	JUPPANHJFGDKFN-MAUKXSAKSA-N	406.448	5.116	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1csc(Cc2ccc(Cl)cc2)n1)c1ccccc1	795982127	QLJUXFZLUAAERF-SFHVURJKSA-N	410.926	5.518	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	808816314	OBPGAAXQOZFKKO-DHIUTWEWSA-N	419.912	5.505	30	20	HKED	
N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)c1cc(C(F)(F)F)ccn1	813213881	NCUGMWZWFOZGMJ-LLVKDONJSA-N	405.228	5.376	30	20	HKED	
N#C[C@H](C(=O)C1(c2c(Cl)cccc2Cl)CCC1)c1cc(C(F)(F)F)ccn1	813214969	GPWKREDNNQEBGP-LBPRGKRZSA-N	413.226	5.705	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1	815907625	GEQRRLVZRKFWRD-QGZVFWFLSA-N	412.367	5.235	30	20	HKED	
COc1ccc(-c2nc(CON=C(C)c3nc4ccccc4n3C(F)F)co2)cc1	874063297	BAZMWFKXIHNCCA-UHFFFAOYSA-N	412.396	5.036	30	20	HKED	
FC(F)(F)c1nc(NN=Cc2ccccc2OCc2ccncc2)c2ccccc2n1	914693470	DYWAPWAMBRJDNA-UHFFFAOYSA-N	423.398	5.069	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1	915087029	ZJKFPEOFKCPFQZ-XMMPIXPASA-N	418.500	5.657	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1	916680922	MTDHVEJNZREVEL-IZZNHLLZSA-N	409.533	6.491	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1oc2ccccc2c1CSC	916900830	UCOKQWSCKSTNJY-GOSISDBHSA-N	420.534	5.382	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc2ccccc12	916907550	JJRWKIMFVWCDRT-SFHVURJKSA-N	412.470	5.655	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)sc2C)cc1	916908779	IMAKIMJVUOOAGU-KRWDZBQOSA-N	424.909	5.347	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(F)F	917142524	GRZZWTFQZDGEPT-DJWKRKHSSA-N	419.168	5.233	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccccc45)CCC3)cc2)C1	1785807474	DCMYJHIQZUWAQU-UHFFFAOYSA-N	410.517	5.554	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4sccc4Cl)CCC3)cc2)C1	1785808746	ZTQBFBAZPSMAIH-UHFFFAOYSA-N	400.931	5.115	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)ccc3C)CCC2)cc1	1786369123	RGGLOTDMUYGFDD-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1	1787616338	DJZPCGRMXWZUIS-UHFFFAOYSA-N	412.574	5.074	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1	1791252026	GFLJBYKUKKVQLU-MOPGFXCFSA-N	415.537	5.274	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1	1791589237	NNRBLNWEOJZPBM-UHFFFAOYSA-N	419.912	5.212	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)C1	1804866387	ZNDVFJFKAXQPEX-GOTSBHOMSA-N	422.613	5.014	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1823752012	HUOPZRPBVFOBQC-OAQYLSRUSA-N	420.613	5.271	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1	6071540	NDHRLVNOAUXABI-CYBMUJFWSA-N	401.894	5.287	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)s1	22728272	RXKRBRFEHZRUJC-UHFFFAOYSA-O	401.964	5.357	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(C)no2)nc2scc(-c3ccc(C)cc3)c2c1=O	22830506	LFSRMIKELMYLBM-CYBMUJFWSA-N	424.551	5.164	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)sc2c1CCCC2	60666478	UYWXBAVMMDMRBE-UHFFFAOYSA-N	416.506	5.395	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	62403095	RWGHTPSQIJSUPJ-UHFFFAOYSA-N	424.504	5.073	30	20	HKED	
C[C@H]1CCCC[C@H]1OCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	64955550	FAWJKSAVQDBBSJ-YADARESESA-N	423.532	5.004	30	20	HKED	
Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1[N+](=O)[O-]	207808081	BWCIBUPSEAFSIM-BENRWUELSA-N	420.852	5.705	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)C(C)C)cc1	302631700	CGACTRFVYQQTNU-VOIUYBSRSA-N	407.558	5.235	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)CC1	303270703	CIONACRMAXBDMO-UHFFFAOYSA-N	407.558	5.044	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl	303518581	PTSAPQKAKWTGFF-LZWOXQAQSA-N	413.226	5.497	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1cc(C)oc1C	409598187	DJXMLDDIUUVZST-CYBMUJFWSA-N	409.299	5.257	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(F)cc1C(F)(F)F	429252234	KLVOGVDLVCFVMQ-UHFFFAOYSA-N	415.236	5.300	30	20	HKED	
COc1cccc(NCc2nnc(S[C@@H]3CC[C@H](C#N)C3)n2C2CCCCC2)c1	430102493	FISMLLLJMPYDMY-OXJNMPFZSA-N	411.575	5.188	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1	430629290	WFOZWWJOJDDARF-SFHVURJKSA-N	411.571	5.193	30	20	HKED	
C[C@@]12CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C[C@H]1C2(F)F	432771205	JSYQPTGLTXXIAC-UYAOXDASSA-N	417.843	5.513	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)C(F)F)cc1	432914715	BOQKRMUGJVWAFK-JOCHJYFZSA-N	421.447	5.460	30	20	HKED	
FC(F)(F)Oc1ccc(C#CCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1	433384320	KBXFQHOYWXVXGT-UHFFFAOYSA-N	415.396	5.260	30	20	HKED	
C[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(C#N)cc1	436106485	UKBWSTQYCAWCGN-CYBMUJFWSA-N	400.356	5.208	30	20	HKED	
CCOCc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	437734954	JASVUXSXCCUULQ-QFIPXVFZSA-N	419.912	6.176	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1	440389297	WSRXCWVNIUETQS-XNMGPUDCSA-N	410.492	5.130	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c2ccccc21	444268130	LTOOHTJEUHGSFG-IBGZPJMESA-N	403.501	5.494	30	20	HKED	
Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)n([C@H]2C[C@H]3CC[C@H]2C3)n1	444338286	DYPZQPDDSFVPEF-SPEDKVCISA-N	401.514	5.063	30	20	HKED	
C=C[C@H](Cc1nc(CC(=O)Nc2cc(Cl)ccc2Cl)no1)c1ccccc1	445338011	ACIQQWUAKDYXBG-CYBMUJFWSA-N	402.281	5.070	30	20	HKED	
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1c(F)cc(C#N)cc1F	445959968	APSVXAFOLYYRIR-JTQLQIEISA-N	421.234	5.201	30	20	HKED	
Cc1cc(C[C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)n(-c2ccccc2)n1	448168552	GWIURLAZIRYADJ-LJQANCHMSA-N	420.516	5.080	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Sc3ccccc3C)cc2)n1	448325367	ORQIYDMXBNZWQA-QGZVFWFLSA-N	422.531	5.270	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H]1c1csc(C)n1	460368735	IVLLAYBBFARBHE-HXUWFJFHSA-N	423.586	5.102	30	20	HKED	
C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@@H]1c1csc(C)n1	460377986	VMSUVNUJRACQCT-LJQANCHMSA-N	413.616	5.197	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ccc(Cl)c(Cl)c1	463208260	WILOQLPFBBOFSH-CYBMUJFWSA-N	409.338	5.429	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1	464941986	VKDQXPUSULCOCY-TZIWHRDSSA-N	419.912	5.226	30	20	HKED	
C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)Nc1ncccc1OCCCC#N	466606175	GKYGLRLCAGZZGH-ZDUSSCGKSA-N	419.312	5.222	30	20	HKED	
Cc1nc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1Br	467129101	MQTQKPHZLLSICW-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COc1ccc(C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1	467705641	NBUGZWSLBLPEJD-KRWDZBQOSA-N	409.555	5.501	30	20	HKED	
CN(Cc1cnn(CC(F)(F)F)c1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	468542073	JMWMLVNNWPJDCH-CYBMUJFWSA-N	419.291	5.200	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C(F)(F)F)o1	472349233	LWCAULIOOASTBX-LJQANCHMSA-N	414.383	5.181	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)s1	472805045	PZVHVRDUGBQUSP-UHFFFAOYSA-N	406.536	5.202	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc4n[nH]cc4c3)cc2Cl)cc1	475020597	YEEZCHJNWVFBKU-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
Cc1cc(F)c(Br)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	475043026	SEFLTKPORFGKMX-HNAYVOBHSA-N	416.294	5.200	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc(F)c(F)c1	477747925	VKJMKPIVUJIARK-OAQYLSRUSA-N	422.422	5.113	30	20	HKED	
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	478007221	WQLSRMJLJSCTEX-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
CC(C)CCOC1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1	479541878	JMBDSTBRDJJRIL-UHFFFAOYSA-N	408.567	5.377	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(-c2cccs2)n1Cc1ccccc1	483185686	WRMZMIVMASBCOT-UHFFFAOYSA-N	406.511	5.358	30	20	HKED	
CN(C)Cc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	486179748	URMKTGVPUYICIG-UHFFFAOYSA-N	419.912	5.105	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc(N(C)C(C)=O)cc1)c1ccc(C(F)(F)F)cc1	486351449	WSHOSNSWTSGDBH-FQEVSTJZSA-N	404.432	5.125	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	487215888	CQFUEWLQVZVIMT-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)s2)cc1	487293131	WEUDQNXLDFERKN-UHFFFAOYSA-N	403.438	5.257	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1	488298351	PGABKLHBDHTYHA-ZCFIWIBFSA-N	401.307	5.203	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(Cl)c2OCC(F)F)c1	497517064	AXSVHNKZANTHMP-UHFFFAOYSA-N	409.820	5.310	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	497988445	ACZUJSZMFWJOBC-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1	503219764	RPLQSKHVTDJQSV-UHFFFAOYSA-N	422.941	5.037	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(C#N)cc1	505325803	PRXHXTVSBFVWGG-CQSZACIVSA-N	402.420	5.060	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1	506431967	YIGPYYQSCBOJIU-QUCCMNQESA-N	407.489	5.563	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C	507078423	RPJBCPCQYAMJGZ-GOSISDBHSA-N	421.566	5.586	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1	507524007	BHRHJOKZFIGXQW-UHFFFAOYSA-N	421.831	5.530	30	20	HKED	
CCOc1ccc(C2(CNC3CCC(C#N)(c4ccccc4)CC3)CCOCC2)cc1	507653514	MKWPCTOENCBHOE-UHFFFAOYSA-N	418.581	5.127	30	20	HKED	
COc1ccc(CNc2cc(Cc3ccccn3)ccc2C)cc1OCCCC#N	509980101	XJZXSMJZEQPKFF-UHFFFAOYSA-N	401.510	5.284	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)cc2F)c1	510844507	HYZINDWLWUPNFB-CVEARBPZSA-N	406.379	5.193	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)o1	511774601	WWLOAITVJKGBOF-UHFFFAOYSA-N	408.457	5.250	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1OC	513951290	FTLNRJWLHUBJNQ-UHFFFAOYSA-N	404.919	5.202	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)c1ccccc1	514028086	ZMQOCBAUKHCHJF-RXVVDRJESA-N	411.933	5.185	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCCc3occc32)cc1	514037867	LIUHVSGQALUKBJ-QFIPXVFZSA-N	403.457	5.080	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCCOc3ccccc32)cc1	518020810	VMVROIXSTLFABG-OAQYLSRUSA-N	402.425	5.133	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccc2)ccc1Cl	518361850	IPWAXMRICCWKCW-INIZCTEOSA-N	406.938	6.511	30	20	HKED	
O=C(NCCOc1ccccc1C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F	518580186	LZSSNGUWNSCGLV-UHFFFAOYSA-N	410.289	5.064	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl	519516460	KWUUBJKTURAYGC-VIFPVBQESA-N	407.369	5.250	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1[nH]c2ccccc2c1Br	521330607	VGMFFAXEOAYBCH-GFCCVEGCSA-N	414.328	5.577	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1	522245202	XJRFXFYFKUJMPN-UHFFFAOYSA-N	424.460	5.172	30	20	HKED	
Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	522312114	FTUCJPSSXFJNST-UHFFFAOYSA-N	400.478	5.485	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC3CC3)nc2)cc1Cl	524707281	HOFLYLRMIJOGNO-HXUWFJFHSA-N	402.885	5.217	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)CC(=O)N(C)C2(C#N)CCCCC2)cc1	525125534	VGGIOIJVDUKUBO-HXUWFJFHSA-N	419.569	5.040	30	20	HKED	
N#CCCn1cc(CNc2ccc(-c3cn4ccccc4n3)cc2)c(-c2ccccc2)n1	532729543	AYPGULSHJSEUHD-UHFFFAOYSA-N	418.504	5.391	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(Br)c(F)c1	537107071	GVOBPJTUZDNHJX-UHFFFAOYSA-N	408.246	5.041	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	538522643	HCSSAQAXVVYVDO-DEOSSOPVSA-N	413.496	5.336	30	20	HKED	
CN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	540672307	IVZWVFUYYNUMSN-WOJBJXKFSA-N	401.432	5.055	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc2C)c1	541469713	JBZCVNSSLJFFQT-UHFFFAOYSA-N	412.493	5.559	30	20	HKED	
CCc1cnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1	542124079	UAKMLLZNIIMCOL-CYBMUJFWSA-N	420.275	5.668	30	20	HKED	
C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Br)cc1Br	556598327	LADSIKPLKZDYCP-GFCCVEGCSA-N	420.148	5.423	30	20	HKED	
CSc1ccc(C)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1	557618186	OUWLLQGKYUOFFW-UHFFFAOYSA-N	413.974	5.487	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1F	558501846	PYQBBTDENRYFDH-KRWDZBQOSA-N	409.408	5.038	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CN4CCCCC4)cc3)n2)cc1	558733003	ZALRXWFXPHTYEZ-QFIPXVFZSA-N	415.562	5.595	30	20	HKED	
CC(C)CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](C)c1ccccc1Cl	560264897	BWDQXQYNWUFLPS-LJQANCHMSA-N	421.976	5.731	30	20	HKED	
CCOC(=O)[C@H](Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	561585007	VLBCMBRWFVNTPL-XMMPIXPASA-N	400.478	5.048	30	20	HKED	
CCCc1c(N[C@@H](C)c2ccc(Br)cn2)cnn1-c1cccc(C#N)c1	571944824	HVXSFXAQVOZSSE-AWEZNQCLSA-N	410.319	5.027	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(OC)cc1	578923094	HOICTKDIRGBEBX-QFIPXVFZSA-N	402.454	5.027	30	20	HKED	
N#Cc1csc(CNc2ccc(Oc3cccc(F)c3)c(Br)c2)n1	581913621	RYZTXPPQNAJIMD-UHFFFAOYSA-N	404.264	5.321	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)cn2)c1	589381190	JGJDXBNGGWISFD-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
COc1cc(CN(C(=O)Nc2cccc(C#Cc3cccs3)c2)C2CC2)ccc1O	595724641	ORTXIQQJKQPLHP-UHFFFAOYSA-N	418.518	5.059	30	20	HKED	
Cc1c(N[C@@H](C)c2cccc(C#N)c2)cccc1C(=O)N1CCc2sccc2C1	600849430	PMVQUTMVXBDWFC-KRWDZBQOSA-N	401.535	5.300	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)n2)cc1	603727550	WNSCIGIDKOEQCY-JOCHJYFZSA-N	411.486	5.441	30	20	HKED	
C=CCn1c(SCc2ncc(C)c(OC)c2C)nnc1-c1ccc(Cl)cc1	605445230	CMPPHCSBCOMEJO-UHFFFAOYSA-N	400.935	5.097	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1F	608847155	GNYVLWYGRXOMNJ-GOSISDBHSA-N	402.469	5.603	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1	609067144	ZQIUJFXXZXXEKO-UHFFFAOYSA-N	410.395	5.337	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)c1ccc(F)cc1	609078985	VHMRBSXOMPRGFF-GOSISDBHSA-N	417.484	5.510	30	20	HKED	
COc1ccc([C@H](NCc2ccccc2C#N)c2ccccc2)cc1Br	609133163	MQJFVCGVPWCVTN-JOCHJYFZSA-N	407.311	5.209	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	609286938	RWIRTLUZGFYITB-MRXNPFEDSA-N	416.333	5.344	30	20	HKED	
CCN(C(=O)CNc1ccccc1S[C@H](C)CC#N)c1cccc2ccccc12	609431087	NRRALQSMBIPFPF-GOSISDBHSA-N	403.551	5.699	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc21	609764424	XVMNIDXKJMMRLE-UHFFFAOYSA-N	412.518	5.892	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)S[C@H](C)c2ccc(C#N)cc2)c(Br)c1	609826156	WQGWWRSAHMKMCL-ZIAGYGMSSA-N	403.345	5.451	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	609927349	OIAHVAVYFXCLRV-BBRMVZONSA-N	421.394	5.048	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609986017	PRFDEODKQXLTNS-MRXNPFEDSA-N	412.518	5.745	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1	610325203	JFKHSXKGALARLH-INIZCTEOSA-N	419.456	5.168	30	20	HKED	
CN(Cc1ccccc1NCc1cccc(OCCCC#N)c1)C(=O)c1cccs1	610911515	UIAVWQZVAYGXIX-UHFFFAOYSA-N	419.550	5.315	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCCCO[C@H]2CCCc3ccccc32)c(Cl)c1	611094818	YOWWOXIJYBFBCS-IBGZPJMESA-N	403.309	5.079	30	20	HKED	
COc1cc(C#N)ccc1CN[C@H](CC(F)(F)F)c1ccc(Br)cc1	612536244	KSCYWZZADQHANO-MRXNPFEDSA-N	413.237	5.113	30	20	HKED	
CC(C)c1c(NC(=O)N[C@H](C)c2cccc(C#N)c2)cnn1-c1ccc(Cl)cc1	616886133	KXYZVBXYNZJIKB-OAHLLOKOSA-N	407.905	5.403	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc(OCc2cccnc2)c(OCC)c1	617348248	MGRROTVEZMZCJX-UHFFFAOYSA-N	420.484	5.027	30	20	HKED	
N#Cc1ccc(CN[C@H](c2cccc(Br)c2)C2CCOCC2)cc1Cl	619755803	UJSZDDZSEVZZRK-FQEVSTJZSA-N	419.750	5.232	30	20	HKED	
Cc1occc1-c1nnc(S[C@@H](C#N)c2ccc(Cl)cc2)n1Cc1ccccc1	619864194	ZYXRKMAZARNAMP-FQEVSTJZSA-N	420.925	5.905	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)NC2CCCCC2)C(C)C)nnc1-c1cccc(C)c1	639428076	QCARRFBBFWLNMX-HXUWFJFHSA-N	412.603	5.005	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	642157003	HUIORKFNBYWTST-IUCAKERBSA-N	407.276	5.345	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccccc1COC1CCOCC1	676035753	GGOUIRFUSJLWKN-UHFFFAOYSA-N	417.530	5.096	30	20	HKED	
N#C[C@H](C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)c1cnc2ccccc2n1	682994958	MVJCVSWLJQWTKK-IBGZPJMESA-N	416.440	5.442	30	20	HKED	
F[C@@H](c1ccc(C(F)(F)F)cc1)c1nc(Cc2ccc(C(F)(F)F)cn2)no1	685230719	IUCGSIUKBPVWPZ-AWEZNQCLSA-N	405.273	5.152	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1	725795101	LQOZFCDURTWHBG-WMLDXEAASA-N	409.942	5.352	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2c(F)cccc2F)n1	726136971	SXHFFMGIWNFJRB-UHFFFAOYSA-N	420.824	5.231	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1c(Cl)cccc1Cl	726322217	HWCQEOFMBOTOMS-GHMZBOCLSA-N	408.235	5.718	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726484172	GJAWIFKTFGZEKX-HNNXBMFYSA-N	411.983	6.233	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl	726899941	ZFTRZFQAMVMVJD-LJQANCHMSA-N	407.926	5.813	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1	727086217	WVJQLXUCVVQPCM-UHFFFAOYSA-N	410.886	5.216	30	20	HKED	
C/C(=C/C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1Cl	727575863	OFECXZDJLNNUBJ-SSZFMOIBSA-N	406.869	5.038	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1	727954257	YDBZEHCFEGIYCC-CDDKBXLESA-N	408.885	5.022	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1OC	728037769	YJSAJUXIVHVECE-SFHVURJKSA-N	405.416	5.256	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)c2ncc[nH]2)c1	729240189	GBGZPMUWTRUDJT-LFVJCYFKSA-N	410.473	5.421	30	20	HKED	
C=CCc1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc(OC)c1OC	729683225	HRFGVDYOAFAWAT-UHFFFAOYSA-N	424.522	5.359	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccccc1Cl)c1ccccc1)c1nc2ccccc2o1	730071894	UDMAFVNSBNPIBA-KSFYIVLOSA-N	418.905	6.191	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)c1	730418296	UQKUGLNACMLZLO-MRXNPFEDSA-N	407.495	5.286	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)o2)cc1	730418362	UWRRIJWFAIRVAM-MRXNPFEDSA-N	405.454	5.208	30	20	HKED	
N#CCCSc1ccccc1NC(=O)/C=C\c1cc(Br)ccc1F	730982667	UNNZZVCPYDPVTM-TWGQIWQCSA-N	405.292	5.246	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1	730994281	ISMJSORXQQWUHJ-WOLCWHLNSA-N	407.926	5.792	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H]1c1cccc(Br)c1)c1ccncc1	734678508	HKKRPYOQHZWTCG-OALUTQOASA-N	400.320	5.008	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1coc(-c2cccc(Cl)c2)n1	735318102	ITYPXDKUMZSNQG-UHFFFAOYSA-N	405.306	5.984	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccccc2C#N)c1)c1ccccc1	737698348	AHWYXFPMZCBDKH-WYMLVPIESA-N	415.880	5.140	30	20	HKED	
CC(C)[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	740540033	XQMJYNPFTHLKGO-DLBZAZTESA-N	410.489	5.779	30	20	HKED	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc(SCC(F)(F)F)cc1	741843773	PZEYROFPJGNHDC-XCVCLJGOSA-N	407.457	5.074	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	744025982	QPTNLKSCPOXNNA-FZKQIMNGSA-N	420.456	5.057	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1)c1ccncc1	745828332	SBSQZCSYGDORSB-JPYJTQIMSA-N	401.510	5.435	30	20	HKED	
C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)c1)C(=O)O	746682886	FDVVGOCMAZUWJE-FWLQQBITSA-N	412.388	5.189	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)c1ccncc1	748973347	VLNWCEMNCLEVKP-GOTSBHOMSA-N	423.919	5.922	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC	749452141	NJPCFZOESQSAPE-VIIAAUOXSA-N	406.425	5.379	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccsc2)cc(Br)c1OC(F)F	750907739	AZJPXMFDURETBK-ONEGZZNKSA-N	403.244	5.407	30	20	HKED	
C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1ccoc1C	753061397	IUHIWTHNSULBSA-UHFFFAOYSA-N	414.556	5.099	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(NCC(C)(C)C)c2C)ccc1OC	757383050	SUSSJQWRTFMONH-IBGZPJMESA-N	423.557	5.073	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1	760331305	RULWWEFWCYGCMN-UHFFFAOYSA-N	418.305	5.200	30	20	HKED	
C[C@@H](N[C@H](C)c1cc(Br)ncc1F)c1ccc(-c2cccc(C#N)c2)cc1	762777675	HHFBNPDNADEWFQ-HUUCEWRRSA-N	424.317	5.934	30	20	HKED	
COc1ccc(OC)c(C=NO[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1	763172067	UQCPAUQMDYBGAF-CQSZACIVSA-N	400.862	5.432	30	20	HKED	
C[C@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Cl)s1	764750022	FDHRBBHGRJCBKU-YFKPBYRVSA-N	404.706	5.219	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@@H]2c2cccc(C)n2)c1=S	765116390	LBIOCDPOZXPSNH-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
C=CC[C@@H](NC(=O)N1Cc2cccc(Br)c2C[C@H]1CC)c1ccncc1	770625324	KPKVSLYESVMWSF-YLJYHZDGSA-N	414.347	5.008	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)ccc1OC	772980942	WNMMYTFCFFVMRE-LPHOPBHVSA-N	420.431	5.052	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCc3c2sc2ccccc32)ccc1OC	772985602	KXTILJSYXDWYGU-PXNSSMCTSA-N	406.551	5.758	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(C(F)(F)F)CC3)n2)cc1	774063323	LIDNNIHIPVCYNY-ZBCRRDGASA-N	408.445	5.364	30	20	HKED	
Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)no1	779596331	GYKKWOGHTYYLQM-YADHBBJMSA-N	415.497	5.183	30	20	HKED	
CC1(C#N)CCN(Cn2nc(Cc3ccccc3)n(C3CCCCC3)c2=S)CC1	779878195	AOYAVUJQUICUHT-UHFFFAOYSA-N	409.603	5.093	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)ccc21	780154332	PWSPPALVUHIANJ-ZDUSSCGKSA-N	416.403	5.179	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	780163616	SJGKFZBAJRPYDY-ZETCQYMHSA-N	405.068	5.238	30	20	HKED	
N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(C(F)F)c3)cc2)c1	780385982	AIJFBAWTZPKNBL-UHFFFAOYSA-N	400.406	5.089	30	20	HKED	
Fc1c(F)c(F)c(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(F)c1F	781348199	BRCMXDSPNNCSCT-CQSZACIVSA-N	421.234	5.377	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	789141093	ABPBRRKHEGSPJS-XFXZXTDPSA-N	413.520	5.016	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)cc1	789634697	COMJINABZJJONG-LIRRHRJNSA-N	423.362	5.004	30	20	HKED	
C[C@H](Cn1ncc2ccccc21)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	793122482	AWDBDHAWTPWOJZ-RDTXWAMCSA-N	420.925	5.326	30	20	HKED	
CC1=C(Br)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1	797778090	WPLNQAFLUIOEEU-UHFFFAOYSA-N	411.299	5.060	30	20	HKED	
O=C(OCc1ccc(C(F)(F)C(F)(F)F)cc1)c1ncsc1C(F)(F)F	801693026	ZJLPTROWCIXSNJ-UHFFFAOYSA-N	405.266	5.173	30	20	HKED	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C/C(=O)c1cccc(N2CCOC2=O)c1	806571699	MKHFVKSASAKAOY-YHAURASGSA-N	401.384	5.504	30	20	HKED	
CC(=NNc1nccnc1Cl)c1sc(-c2ccc(Br)cc2)nc1C	814850499	PZWNSAQIWGBOHJ-UHFFFAOYSA-N	422.739	5.161	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1SC(C)(C)C	815607184	RROCNAQMHXTKJO-KRWDZBQOSA-N	409.599	5.583	30	20	HKED	
O=C(Nc1cccc(N=Cc2cc(Br)ccc2O)c1)c1cccs1	819839496	KWSJSSNZUOOQMR-UHFFFAOYSA-N	401.285	5.219	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915087399	TVLOURMKYPVHFM-VWLOTQADSA-N	403.485	5.965	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC	916153618	YBMNGWVCJYXPFL-ZROIWOOFSA-N	404.462	5.188	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccccc1	916848368	JYBIPDRUEMTRPH-IYTCMIDZSA-N	404.469	5.660	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	916943480	XXPDZIGZCXGHBQ-GOSISDBHSA-N	405.281	5.133	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F	917042305	DWJBJOMDDBUDAX-XPSMFNQNSA-N	421.325	5.220	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc2cc(Cl)ccc2s1	917044071	POTBMVKEEKIERE-GOSISDBHSA-N	422.937	5.668	30	20	HKED	
C=CCc1cc(OCC)cc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1O	919943580	MWGFYBGFMWADCY-GJZGRUSLSA-N	411.386	5.082	30	20	HKED	
Cc1ccccc1C1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCOCC1	920024979	LZLOUTOFUAKBJA-XMMPIXPASA-N	410.517	5.337	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cccc4ccccc34)n2)cc1	920140249	CXBPZNAUHKEYSZ-FQEVSTJZSA-N	409.470	5.090	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1	1789235924	QYTSKFRVEZOHTH-MRXNPFEDSA-N	419.500	5.267	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cscc2C)[nH]n1	1819554259	OHGCFRQTYAUMHW-SFHVURJKSA-N	414.575	5.078	30	20	HKED	
C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccoc1C	23592481	ZMKDSRJYRLVKPX-UHFFFAOYSA-N	401.360	5.020	30	20	HKED	
CSc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	56720316	MJABHPGZARTAOF-UHFFFAOYSA-N	417.534	5.375	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccccc2Cl)cc1	56757972	NGDYMYKONYTORW-QGZVFWFLSA-N	411.933	5.379	30	20	HKED	
CCCCOc1ccc(-c2nnc(CN(Cc3ccc(C#N)cc3)C(C)C)o2)cc1	58396967	ZKLUWXGZBNWREG-UHFFFAOYSA-N	404.514	5.198	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ccc(C)cc2C)n1)c1nc2c(s1)CCCC2	63898447	CQEVWHIPIKYRSN-UHFFFAOYSA-N	409.580	5.595	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccnc2Oc2cccc(C)c2C)cc1OC	65802434	MNPAIAHDUMPORB-UHFFFAOYSA-N	404.466	5.316	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N2CCCC[C@@H]2CC)nnc1-c1ccc(Cl)cc1	104577955	FXBSLEQJTKQJMQ-QAPCUYQASA-N	418.994	5.056	30	20	HKED	
C[C@H](CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	303866655	PURZTKMJJOAHJU-SNVBAGLBSA-N	421.303	5.542	30	20	HKED	
CCN(CCCC1(C#N)CCOCC1)[C@@H]1CCSc2ccc(Br)cc21	410351375	XCTZCJHQEVFJDC-GOSISDBHSA-N	423.420	5.408	30	20	HKED	
Cc1cnc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	429094383	DBWLZEHIKUZKPU-KDOFPFPSSA-N	410.930	5.643	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCc2sccc21	434103226	FWBJIPNSOZAXTL-NRFANRHFSA-N	402.519	5.566	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1	437351594	GZXFGCRPMNEKJQ-UHFFFAOYSA-N	423.350	5.359	30	20	HKED	
CCCCOC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	440829309	IUCWYPQHLCADIY-UHFFFAOYSA-N	408.567	5.272	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@]2(CCCOC2)C1)c1ccc(C(F)(F)F)cc1	441539630	ZEKLQIWOBXZREW-FPOVZHCZSA-N	410.480	5.315	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1	443941696	WRHIASIUTMKMPD-HZPDHXFCSA-N	415.946	5.277	30	20	HKED	
CCC[C@@]1(CO)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	444843242	AEOCZQIQSZOHNU-OFNKIYASSA-N	411.933	5.154	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)c(C(F)(F)F)c1	446171883	TYEBJBVPLOHPEL-SNVBAGLBSA-N	414.399	5.998	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1Nc1ccccc1	447700191	LPBGFNLANLHUFW-UHFFFAOYSA-N	421.932	5.382	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)cc1	460551049	LTDVGNYXLSRSSF-HSZRJFAPSA-N	402.542	5.221	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)c1	464204700	ALCZHMQMCAINBK-SANMLTNESA-N	410.517	5.434	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1	464816159	VOFFRHHCQPRASA-MOPGFXCFSA-N	412.415	5.027	30	20	HKED	
COc1cccc(-c2nc(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)c1OC	464820637	XIXJNGUUZRXHKL-SFTDATJTSA-N	419.550	5.099	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1	464940042	KGGDAOJIFWTAJV-JWQCQUIFSA-N	421.500	5.049	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCc3cc(C#N)ccc3F)s2)cc1	466203663	SZHHBABRHQXJFA-INIZCTEOSA-N	422.529	5.340	30	20	HKED	
C[C@@H](CC(F)(F)F)NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	466832882	SVFWFJDEFPVARR-NSHDSACASA-N	400.338	5.017	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NCc1cccc(C#N)c1	467277727	JDPDRBAJYIJHMM-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
N#Cc1cc(CSc2nnc(SCc3ccc(F)c(C#N)c3)s2)ccc1F	468630951	NCHQOYZYQQDLBM-UHFFFAOYSA-N	416.503	5.144	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	470356811	VIYYEIXGENJRHM-GOSISDBHSA-N	403.404	5.545	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1	474478684	ASTYBLGADGADSM-OAQYLSRUSA-N	403.461	5.155	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br	476098956	MCXVTFQSABKPMI-UHFFFAOYSA-N	417.303	5.390	30	20	HKED	
CN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cc(Cl)ccc1C#N	479577091	IXJXATQVRFCVSQ-UHFFFAOYSA-N	402.306	5.194	30	20	HKED	
C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	480128406	ZSHLQZJYJVEJOJ-IERDGZPVSA-N	404.901	5.615	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1	480345849	WROKVIKGJIUNDR-IYBDPMFKSA-N	419.978	5.235	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(N2CCSCC2)cc1C)c1ccc(F)c(F)c1	480640186	HEEPRGXLMCVZLR-NRFANRHFSA-N	417.525	5.265	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1-c1nncn1C(C)C	481056571	UPXULPFJKZAVTC-UHFFFAOYSA-N	415.950	5.461	30	20	HKED	
C[C@H](c1nnc(SCc2ccc(F)cc2C#N)n1-c1ccccc1)N1CCCCC1	483075961	VTXHQMHWZOOGSK-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
N#Cc1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)s1	486709469	HKWXHPBEXXWVIB-UHFFFAOYSA-N	402.306	5.164	30	20	HKED	
O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	489042700	PRDKJRHOGKOBSL-UHFFFAOYSA-N	413.667	5.316	30	20	HKED	
CN(C)C1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCCCCC1	489954421	FKCRPAIAGZEMJO-UHFFFAOYSA-N	421.610	5.235	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)cc(Br)c1F	490518452	AHEZBPUAQCCENL-PBHICJAKSA-N	420.257	5.031	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)c(C#N)c3)cc(-c3ccccc3)nc21	494739615	UEAORDCRDIJOIL-UHFFFAOYSA-N	415.884	5.457	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CSCc1ccc(C#N)cc1	499203387	SVLGHYWAKQJVBO-UHFFFAOYSA-N	406.473	5.247	30	20	HKED	
CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	500767684	MTODXSPHTQFGAD-GOSISDBHSA-N	414.461	5.268	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)Nc1cccc(OCCCC#N)c1	502287774	HUMWKPBUCSRKTD-UHFFFAOYSA-N	402.292	5.393	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3ccccc3nc2C)cc1	505697725	MFPQGGNHIYLUJN-UHFFFAOYSA-N	409.445	5.468	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	505772995	WYBGHBRXGDGCOX-CYBMUJFWSA-N	406.269	5.502	30	20	HKED	
Fc1cccc(-c2cnc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)c1	505906425	OHAHQTYFAOLXKX-QGZVFWFLSA-N	418.312	5.893	30	20	HKED	
CC[C@@](C)(C#N)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	507787863	VPBJMAFBSSDLKN-HNNXBMFYSA-N	401.344	5.016	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509295407	UKMZXAZUKQJYFN-CVEARBPZSA-N	407.329	5.672	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)s2)o1	515204821	FLNFIYZAXLZJRI-UHFFFAOYSA-N	406.492	5.267	30	20	HKED	
CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	515319366	PSDZFAFBNRWVTB-UHFFFAOYSA-N	415.518	5.556	30	20	HKED	
COc1cc(Cl)c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1C	516113843	PIAIFQDKZHWXKY-UHFFFAOYSA-N	422.916	5.303	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(C)C)c(OC)c3)n2)cc1	516270410	XNQHDPLBYKEMMP-GOSISDBHSA-N	422.506	5.105	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n(-c2ccccc2)n1	517651747	WVNVIESFNGJSGN-UHFFFAOYSA-N	408.461	5.291	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCc2cccc(F)c2)cc1	518861192	BKLPBKXHBRFPAU-UHFFFAOYSA-N	419.475	5.181	30	20	HKED	
CN(C)[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	521475023	MYIOJCFMAAOSCT-JTHBVZDNSA-N	403.913	5.237	30	20	HKED	
CCN(Cc1c(Br)cncc1Br)[C@H](C)c1ccc(C#N)cc1	522044898	RTWZRUKHUFFIKS-GFCCVEGCSA-N	423.152	5.061	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cc(F)ccc3o2)cc1	522744022	XSEKKYWQSWZTJR-UHFFFAOYSA-N	400.409	5.469	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	524112325	UXLNDOCXRKKVLL-GJZGRUSLSA-N	406.473	5.774	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Nc3cccc(C#N)c3)cc2Cl)c1	524248994	QIRZARIMZMDMAC-UHFFFAOYSA-N	402.841	5.306	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1	525413732	LEOKRMMQMNPKBJ-OALUTQOASA-N	407.583	6.476	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Cl)c1SC(C)C	525500316	YDFBRPWWHDMVAI-UHFFFAOYSA-N	403.935	5.001	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)on1	536410275	RQAGYOYPTVGRND-SFHVURJKSA-N	407.857	5.278	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cnn1Cc1ccccc1	536940971	OXDXKQIZTAGWSK-UHFFFAOYSA-N	424.529	5.191	30	20	HKED	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1	538072559	IKWRZQDTVFGQPE-UHFFFAOYSA-N	411.571	5.288	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN[C@@H](Cc1ccccc1Cl)c1ccccc1	539308364	BIQZENFONNENTG-FQEVSTJZSA-N	409.942	5.175	30	20	HKED	
CN(CCc1ccccc1O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	541419351	HTUUMEQBCCTXMC-NRFANRHFSA-N	419.912	5.407	30	20	HKED	
Cc1ccc(C2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cn1	543392631	VKYKYINDCMRTMT-UHFFFAOYSA-N	415.468	5.213	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3ccc(OCc4ccncc4)cc3)s2)cc1	543681478	GPULRFSJBKRYBP-UHFFFAOYSA-N	412.518	5.192	30	20	HKED	
N#Cc1nnc2ccccc2c1N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	557671612	XDVUXGHKLCDRQL-HXUWFJFHSA-N	412.415	5.100	30	20	HKED	
CN(C)Cc1ccc(-c2ccccc2CNC2CCN(c3ccc(C#N)cc3)CC2)cc1	560513922	MOGDIGZJVODXJB-UHFFFAOYSA-N	424.592	5.045	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC=C(c3ccco3)C2)cc1	563543317	VDIYWSKIVCYWFZ-UHFFFAOYSA-N	413.477	5.246	30	20	HKED	
CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	564366020	BCXHSMUZELTPJR-BGYRXZFFSA-N	416.443	5.330	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1	570978144	OHRVNMLCFDMLJZ-UHFFFAOYSA-N	406.433	5.173	30	20	HKED	
Cc1sc2nc([C@H](C)Nc3ccc(Oc4ccnc(C#N)c4)cc3)nc(O)c2c1C	574949094	HLJNVFPBCSATNE-ZDUSSCGKSA-N	417.494	5.246	30	20	HKED	
Cc1csc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1C#N	582384831	BZTSRWKEOAVHRC-UHFFFAOYSA-N	415.474	5.108	30	20	HKED	
Cc1ccc(Br)cc1-c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1	586757286	YXSMUBJDTSTNKE-SFHVURJKSA-N	409.287	5.021	30	20	HKED	
N#Cc1ccc(CSCC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1	603732567	WJKLYSIXERDFGG-LAWLFLRMSA-N	424.569	5.205	30	20	HKED	
N#Cc1c(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)sc2c1CCCCCC2	603996312	IYZSFZCNYDKRRP-UHFFFAOYSA-N	416.550	5.594	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1	604078779	HXLPPCMDAJUPCB-FQEVSTJZSA-N	412.331	5.004	30	20	HKED	
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1occc1COc1cccc(C#N)c1	608802198	WOTQKUTYOFBEFD-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
Cc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)sc1-c1ccc(F)cc1	608804583	QWZPLMVVNSQBML-UHFFFAOYSA-N	403.529	5.496	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N	609186613	VUSJBYWNRCIJHN-CQSZACIVSA-N	418.497	5.227	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209210	WCDOHAKESCPTHO-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc1	609413977	KLPWNGKBFCYGOH-AWEZNQCLSA-N	407.297	5.106	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1	609426509	QCXPNTXTFJOHBR-UHFFFAOYSA-N	409.445	5.531	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl	609428606	WWSSARBFFVDCTH-LLVKDONJSA-N	404.919	6.340	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1Cl	609814694	AJXTZIIUCSTPNK-WOJBJXKFSA-N	404.922	5.823	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](Sc1ccc(C#N)cc1F)c1ccccc1	610219069	RPWUMSRKSJKZIZ-JOCHJYFZSA-N	406.482	5.568	30	20	HKED	
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc2ccccc2c1OC(F)F	610809978	WUXSFJRNPMTMCV-MRXNPFEDSA-N	422.479	5.027	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)N(c1nccs1)C1CCCCC1	611103451	XADHCERLMCDMPL-CYBMUJFWSA-N	405.976	5.515	30	20	HKED	
COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613404408	MAKVYYWVFXGOKE-GFCCVEGCSA-N	410.804	5.467	30	20	HKED	
C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)nnc1C1CC1	613906502	LDWLFBRMGZKFDA-FQEVSTJZSA-N	424.614	5.095	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	617992250	DVIIIEXOQWSFPZ-UHFFFAOYSA-N	416.485	5.400	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccncc1C(F)(F)F	619254043	HLAFUPMIMJDNFB-UHFFFAOYSA-N	413.424	5.053	30	20	HKED	
N#C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(Cl)cc1	619863799	FLVBCUSZHHNDSH-GFCCVEGCSA-N	403.216	5.412	30	20	HKED	
O=C(CSc1ccc(F)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157816	LBOQSMDYWSWOBO-RKDXNWHRSA-N	421.353	5.083	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2cc(F)ccc2s1	642175412	XVDQPDMGQUDBDA-IAZYJMLFSA-N	413.358	5.680	30	20	HKED	
C[C@H]1CCCCN1CCOc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	672579981	JKMNTQSHKXTFBG-PKOBYXMFSA-N	419.550	5.040	30	20	HKED	
Cc1c(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F	675533409	NHIYAULZGKBVGG-UWVGGRQHSA-N	408.264	5.218	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(C)oc3-c3ccccc3)n2)cc1	680617272	MEAYDGBPHODPLR-GOSISDBHSA-N	415.474	5.272	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OC	726467402	WVIQKURFMFMJNB-ZDUSSCGKSA-N	403.935	5.057	30	20	HKED	
Brc1ccc(CON=Cc2cccc(OCc3ccncc3)c2)s1	727434623	NGBUXQRNOMHITJ-UHFFFAOYSA-N	403.301	5.035	30	20	HKED	
Cn1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc(Cl)c1Cl	728006551	NHAOEKPMBVCHOK-UHFFFAOYSA-N	400.265	5.035	30	20	HKED	
Cc1cc(C(=O)NCc2csc(-c3ccccc3)n2)c(C)n1-c1ccc(C#N)cc1	728266251	NHMIWSQVHYVNQI-UHFFFAOYSA-N	412.518	5.019	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c(C)n1-c1ccc(C#N)cc1	728266710	WAQXVZQKPKXXJC-UHFFFAOYSA-N	422.488	5.751	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1ccc(O)c(F)c1	728438621	IVWWMXMFURFZEW-ALCCZGGFSA-N	404.260	5.313	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3cccs3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	728439561	APXPLWBAECYSPB-AATRIKPKSA-N	415.452	5.201	30	20	HKED	
C#CCOc1ccc(NC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1	731112329	HYIHLKKVIAUDNB-HNNXBMFYSA-N	409.486	5.152	30	20	HKED	
N#CCCN(C(=O)CCC(=O)OC1c2ccccc2-c2ccccc21)c1ccccc1	733682535	LPLNIDILWQXDCE-UHFFFAOYSA-N	410.473	5.027	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1	733772151	YSPAZUHOMCVJTB-AYOQOUSVSA-N	403.309	5.094	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccncc1	734237539	QBUBKRQBLFHBCC-LJQANCHMSA-N	417.538	5.183	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C/c3ccnc4ccccc34)cc2F)c1	735439668	PIDULEIMZBLFKP-DHZHZOJOSA-N	423.447	5.476	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	739155770	VNGATYIDBNDYPY-QRWLVFNGSA-N	424.422	5.700	30	20	HKED	
Cc1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccn12	741179692	HVEFTUJQOSXREU-IBGZPJMESA-N	400.869	5.204	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)N[C@@H]1CCOc2ccccc21	741486460	DSGRUWNLSJIEGS-JOCHJYFZSA-N	415.518	5.469	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1ccc(Cl)cc1	743095524	LCLALIZHESEVFC-UZUQRXQVSA-N	419.912	5.584	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc5c(c4)COC5)c23)cc1	743430786	KTWDCLYHXGOIGJ-UHFFFAOYSA-N	416.506	5.233	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744063338	LVWVYVLFCPSNER-CZUORRHYSA-N	415.440	5.594	30	20	HKED	
CCCCOc1ccc(C=NO[C@H](C)c2nc(-c3ccccc3C)no2)cc1OC	744444653	YNKGIJCYMYNPFN-QGZVFWFLSA-N	409.486	5.344	30	20	HKED	
CC(=NOCc1nc([C@H](C)OCC(C)C)no1)c1ccc(-c2ccc(F)cc2)s1	744445391	OWGCRCQPIZMZBZ-HNNXBMFYSA-N	417.506	5.612	30	20	HKED	
Cc1nn(C)c2ncc(/C=C(\C(=O)c3ccccc3)c3nc4ccccc4s3)cc12	750895863	KJORPZZHIPHZAO-CPNJWEJPSA-N	410.502	5.310	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCc3cc(Cl)ccc3Br)[nH]c12	751173377	UGJYXWPALYOMFL-CQSZACIVSA-N	416.706	5.096	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C)C/C(C)=C\c2ccccc2)c1=S	754859051	UEWJPJMFBKHRMV-RGEXLXHISA-N	405.571	5.045	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	755341363	UMPLOWDVHQVYOW-SJORKVTESA-N	423.513	5.147	30	20	HKED	
CC[C@@H](/N=C/c1cc(Br)cc(Br)c1O)c1c(C)noc1C	756848325	ZNIDOPDPKIDTTR-BPGOPIFBSA-N	416.113	5.092	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	759278159	BRZBXODUCDFHDL-CJNGLKHVSA-N	412.461	5.152	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2cnc(C3CCC3)s2)cc1)Nc1ccccc1	760262898	MGIQYWXMQGPEFG-YPKPFQOOSA-N	418.518	5.324	30	20	HKED	
C#CCC(C)(C)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	767078503	BVFDPUSAAWJYGJ-CYBMUJFWSA-N	405.361	5.108	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)OCc2ccccc2C(C)(C)C#N)on1	767982966	ZBDGVTCROPGHGU-UHFFFAOYSA-N	406.507	5.434	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1	771115085	NYOVUPITUHXSAF-ZEQKJWHPSA-N	409.489	5.005	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2sccc2O)cs1	773151578	WYGSATVYFYTDLP-QPJJXVBHSA-N	404.900	5.144	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ncc(C4(O)CCCCC4)s3)c2)cc1	773181679	CENIGIVYEOHRPU-UHFFFAOYSA-N	419.506	5.211	30	20	HKED	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	777297011	MVNJTCLTFPUHEZ-XCLFUZPHSA-N	421.950	5.209	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2O[C@H](C)C#N)s1	780576122	JCIWPCMKVQHAPD-GDBMZVCRSA-N	407.499	5.015	30	20	HKED	
Cn1nc(C(F)(F)F)c(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1Cl	782495828	HPSIOUNTSFSXCM-NSHDSACASA-N	403.729	5.015	30	20	HKED	
CC(=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl)c1cnn(C(C)(C)C)c1C	787153872	GRIAJAOFJUQHPS-UHFFFAOYSA-N	423.373	5.073	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	789451182	VDCHLGYJVNKRAI-UHFFFAOYSA-N	407.558	5.039	30	20	HKED	
N#C[C@H](C(=O)c1cnn(Cc2ccccc2)c1Cl)c1nc(-c2ccccc2)cs1	796810763	MEBZNYJCIZQOCZ-QGZVFWFLSA-N	418.909	5.198	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cs1	797029733	JMZHBOUOYANGJF-PKNBQFBNSA-N	416.449	5.167	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)OCCCC2(C#N)CCOCC2)cc1C	800079965	MKESXLRDDSEBQJ-UHFFFAOYSA-N	410.539	5.107	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1	800132778	MDSPJZJWAZFLOK-UHFFFAOYSA-N	423.778	5.097	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1c(C)c2cc(Br)ccc2oc1=O	800154052	JJMYGRXHLWWTIM-UHFFFAOYSA-N	412.283	5.235	30	20	HKED	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCO[C@H](C)C#N)nnc1-c1cccs1	801653677	IJWQHEGBNIHCCW-XAJHFOFHSA-N	402.589	5.025	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl	809923807	CUHIHUZGSZAHTQ-VQIMIIECSA-N	423.413	5.085	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(Cl)cc1	810186411	VCLYFPJEYHWDBM-ZTOMLWHTSA-N	422.937	5.144	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Br)c(Cl)c1)c1nc2ccccc2s1	810521429	NZRJNAIHXGDEME-NSHDSACASA-N	405.704	5.131	30	20	HKED	
C[C@@]12CC[C@H]3[C@H](CC=C4C[C@@H](OC(=O)c5cccc(C#N)n5)CC[C@@]43C)[C@@H]1CCC2=O	810601383	UZOUNTAQUZGJLS-OMUDIIHJSA-N	418.537	5.011	30	20	HKED	
N#CCCCCOC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1	914596987	VTZZDISWNHFESO-UHFFFAOYSA-N	413.930	5.067	30	20	HKED	
Cc1cccc(-c2nn(CN(CCC#N)CCC#N)c(=S)n2[C@H]2CCCC[C@@H]2C)c1	915794560	UYRUHOFXENZMHS-FPOVZHCZSA-N	422.602	5.228	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c(O)ccc2ccccc12	916309686	JVEFBLKFPTZNFT-UHFFFAOYSA-N	411.486	5.174	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)n1	916843723	HPAFONXVMJXXFE-VYSIFYPISA-N	404.579	5.783	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(C)n1	916880746	WHOINSXSCCZUIE-JZIMQPMSSA-N	413.321	5.021	30	20	HKED	
N#C[C@@H](C(=O)CCn1ccc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	916977500	SVJRUHNHSRKLMK-SFHVURJKSA-N	405.910	5.685	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	920112816	KLQKJXIXHBUDOY-KBXCAEBGSA-N	410.926	5.645	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2cccc(F)c12	920141611	KPOQYOKRUNJIBI-HNNXBMFYSA-N	417.490	5.834	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	921146778	DFBFGYSLFMHQQX-HNNXBMFYSA-N	421.415	5.153	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)[nH]n1	1814443478	YGLDACZSHMOERC-SFHVURJKSA-N	418.557	5.067	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(O)c2)c1	10172558	AMVTURJJBHVAFA-UHFFFAOYSA-O	419.570	5.273	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2c(C)cccc2C)cc1	11153777	DOZHQCPGVNXNNR-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cc(C)ccc2C)cc1	22729822	JZLSSSKDSPKLOQ-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ncnc2sc(C)c(C)c12	23406400	QJSMKOCZKBOVHH-CQSZACIVSA-N	403.598	5.065	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CCCc3ccccc32)cc1OC	25259549	RLQASZKTHSJEIR-IBGZPJMESA-N	402.332	5.190	30	20	HKED	
C=CCN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1	28776873	BCWMHUXULXZXKC-UHFFFAOYSA-O	422.401	5.293	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2SCc2cccs2)sc1SCC#N	44789268	QOXHNZOQRWDHOB-UHFFFAOYSA-N	417.606	5.673	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1	47974625	ONTJDVMKFQDMMN-UHFFFAOYSA-N	411.383	5.254	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1	55569894	JZGXQJKBUUXBRA-UHFFFAOYSA-N	409.873	5.249	30	20	HKED	
COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	56469777	IEZVUWGLGAEYKY-UHFFFAOYSA-N	414.461	5.051	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	63641478	BEHQREPFSCSORI-SFHVURJKSA-N	415.493	5.415	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2ccccc2F)cc1	64716977	DAUXSLJIHFYHAQ-UHFFFAOYSA-N	415.468	5.496	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)c1	108848039	DDNJVLMTSTXUOV-VWLOTQADSA-N	412.489	5.123	30	20	HKED	
Cc1cc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)ccc1Oc1cccnc1	302950500	DPYFNWGYQNTSAM-QHCPKHFHSA-N	401.466	5.096	30	20	HKED	
CCc1nc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1	303502048	VETGRJPEZSTNMJ-INIZCTEOSA-N	420.538	5.233	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C#N)ccc1C	430412292	CWSKUAQPMQKVGS-UHFFFAOYSA-N	414.292	6.033	30	20	HKED	
N#CCCC[C@H](NCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1	433033547	FIXMTKFPGCKVNP-ZCYQVOJMSA-N	407.533	5.198	30	20	HKED	
CC(C)Sc1c(Cl)cccc1NCc1cn(CCC#N)nc1-c1ccncc1	435127196	ARYCONPXMVTLJM-UHFFFAOYSA-N	411.962	5.625	30	20	HKED	
N#CCCN(C(=O)CCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1)c1ccccc1	436457105	XALNMUYESAZZFJ-QFIPXVFZSA-N	423.944	5.121	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438661321	RBKPHBFZWMNERU-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
CCOCc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438662442	DIZKOVHUZWZSCT-UHFFFAOYSA-N	419.456	5.348	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1F	438670155	VOSZVZNUDRKGPN-UHFFFAOYSA-N	423.488	5.445	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(C(=O)N[C@@H](CCC#N)c4ccccc4)CC3)c2c1	438839393	VQQGGGYDFVLJID-QHCPKHFHSA-N	416.525	5.111	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)Oc1cccc(F)c1	440365340	JAKVZWRIMMYPEC-DOTOQJQBSA-N	401.507	5.057	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444024930	SXJDQRJYEYPHDP-INIZCTEOSA-N	422.344	5.680	30	20	HKED	
C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1	444675868	SRHUNJDECGDETM-DHIUTWEWSA-N	401.598	5.129	30	20	HKED	
COc1ccc(-c2nnc(SCc3ccc(C#N)c(C)c3)n2Cc2ccco2)cc1	447306315	PRIAKGJRGFRFEK-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
N#Cc1cc(F)ccc1N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	462838692	YXTYPRPTPCKIEL-UHFFFAOYSA-N	404.420	5.043	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1SCCc2sccc21	463757978	CMQAQCJZGOSTBT-JOCHJYFZSA-N	422.550	5.631	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464428577	UBQCQVHGMJDDBF-CQSZACIVSA-N	421.831	5.676	30	20	HKED	
COc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c1	465661373	PTCIFVVESDTQSZ-HJPURHCSSA-N	419.912	5.370	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(F)(F)F	470618405	KGDIZDBBANDELF-IBGZPJMESA-N	405.420	5.040	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccccc1	471322672	RYYJAWXLDIWXMR-MRXNPFEDSA-N	415.881	5.164	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(-c2ccccc2)nn1	472004347	XXTODLHZJVOSRX-UHFFFAOYSA-N	406.445	5.084	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	474902297	YDGZEEXINSBFNB-NZQKXSOJSA-N	413.908	6.022	30	20	HKED	
CC1CCC(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1	475759365	BALJIHMMZQAXHY-UHFFFAOYSA-N	400.466	5.245	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccc2ccccc2c1	476128008	BVIRPYOHMGTYIB-UHFFFAOYSA-N	400.522	5.450	30	20	HKED	
C=C(C)[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)c(F)c1	478917726	PIQITCJLMVTYPO-NRFANRHFSA-N	402.441	5.204	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(C)[C@H](c2ccccc2)C(C)C)nnc1-c1ccco1	482168472	HYECQNXKWOOSRS-NRFANRHFSA-N	424.570	5.062	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nccc2ccccc12	483204739	TUWWSRFBMJJZRL-JOCHJYFZSA-N	400.441	5.335	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	483721960	CFSVOHBRENSHDC-UHFFFAOYSA-N	421.428	5.025	30	20	HKED	
CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	483846470	GOKNZCNMNQZBPW-JOCHJYFZSA-N	407.876	5.798	30	20	HKED	
C=CCC1(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CCC1	485637443	RILZZDFABZCYBM-UHFFFAOYSA-N	422.525	5.421	30	20	HKED	
CSc1cc(O)ccc1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	486247666	ZEDBDCQKMRBVOD-UHFFFAOYSA-N	419.506	5.403	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1C	488921309	SETRZMGJJQMNNI-AWEZNQCLSA-N	409.540	5.404	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1cccs1	489403359	LBRLMCXGGMLFKL-UHFFFAOYSA-N	420.563	5.459	30	20	HKED	
C=C(C)Cn1c(SCC(=O)c2cc(C)c(C)c(C)c2C)nnc1-c1ccncc1	489442713	BEOCFYDEMPDCPQ-UHFFFAOYSA-N	406.555	5.125	30	20	HKED	
N#CC(CCNC1(c2ccc(F)cc2)CCOCC1)(c1ccccc1)c1ccccc1	490211019	VFXSKOAUAJESJI-UHFFFAOYSA-N	414.524	5.321	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	499208393	GFNPTXHOGRFGCU-UHFFFAOYSA-N	407.348	5.217	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1	501939538	PUYCKQLWCWVOMM-CQSZACIVSA-N	420.273	5.072	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1cccc(COCc2ccco2)c1	503224551	GNWLORDLRYUFPX-KRWDZBQOSA-N	421.522	5.892	30	20	HKED	
N#C[C@@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)c1cccc(Cl)c1Cl	505349668	LSIYQGCMMDVXGL-QGZVFWFLSA-N	423.727	5.076	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2nccc3ccccc23)cc1	508237729	ADMCBOIXBHJMBD-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C	512550567	JJBAALOFRXERFM-UHFFFAOYSA-N	405.445	5.089	30	20	HKED	
C[C@H](OCCCNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1	513108877	SZKRRJOQLGDBSP-FQEVSTJZSA-N	414.505	5.035	30	20	HKED	
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	513295656	ISDMKKKLLDSEDT-LJQANCHMSA-N	419.544	5.304	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cccs1)c1nc2ccccc2s1	513670770	BHIQEVNODVFCEH-MRXNPFEDSA-N	406.557	6.140	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)Nc3cc(C#N)ccc3OC(F)F)c2)c1	517977873	KDCRHPJGYCLLND-UHFFFAOYSA-N	422.431	5.228	30	20	HKED	
COc1ccc(CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1C	518016065	AKADVJYLALCVSC-UHFFFAOYSA-N	404.441	5.079	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(CN4CCCC4)cc3)cc2)cc1	520382124	PCRSJVRVKZYSDO-UHFFFAOYSA-N	411.505	5.393	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	520923274	ILLJWDUCOCAMLJ-GOSISDBHSA-N	413.521	5.914	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(NC(=O)CC)ccc1C	523505967	SKHGBGJBYMBIPU-UHFFFAOYSA-N	406.404	5.179	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)o2)cc1	524377028	RDHOJEZKDLYNKR-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccccc2Cl)nc1	531307549	KPYCYOKTAHJYMH-HNNXBMFYSA-N	423.925	6.031	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(C)n4C)n3)n2)cc1	533953833	HFWMVGYIVMTHAN-MRXNPFEDSA-N	418.547	5.379	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	534771532	GPNOMPGFHUIYJQ-PGRDOPGGSA-N	407.583	6.431	30	20	HKED	
Cc1cccc([C@@H]2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)C2)c1	541437108	VDBSEUDLJHJUKZ-JOCHJYFZSA-N	424.504	5.140	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	543514667	HUQCUUUULCALKH-ZDUSSCGKSA-N	411.914	5.302	30	20	HKED	
COc1ccc([C@H](NCc2ccc(CC#N)cc2)c2ccccc2Cl)c(OC)c1	544082781	RDPVBLZWJCFITO-XMMPIXPASA-N	406.913	5.302	30	20	HKED	
C=CCN(C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)C1CC1	544416388	YCKKJDQSDHMBPM-QGQWTOSVSA-N	409.414	5.286	30	20	HKED	
COc1c(-c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)cnc2ccccc12	544974325	JBCAUTRIFXWBOI-QXMHVHEDSA-N	421.460	5.332	30	20	HKED	
CCN(CC)Cc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	553063514	ZYFGZKLAKBLZRD-GOSISDBHSA-N	410.587	5.102	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	557581899	KLGVRZVEDYXYEG-CVEARBPZSA-N	413.543	5.228	30	20	HKED	
C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1cccc(F)c1	565507908	BTNZBQCGGQNHDP-QFIPXVFZSA-N	401.489	5.017	30	20	HKED	
Cc1cc(C)c(Br)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	565631604	RWPRESLWBUZTRY-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(F)c1	567035332	ZKOUAUBLOXSXLO-UHFFFAOYSA-N	408.429	5.443	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	574832132	QUVBJQJBPNMBLH-YWZLYKJASA-N	416.443	5.109	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	585765204	LKCKHNHLGRVOJL-DHIUTWEWSA-N	414.471	5.712	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)c2cc(O)cc(C#N)c2)nc1-c1ccccc1	589183742	LVLSDEXRGGZJBM-HXUWFJFHSA-N	401.466	5.020	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc2cc(F)ccc2s1	592973842	JRFLZVMJVSBCRT-CYBMUJFWSA-N	413.886	5.702	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cccn3Cc3cccs3)c2)c1	604174449	CDYOSJHKJFGACN-UHFFFAOYSA-N	413.502	5.301	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	604248839	CMPLABBSCBSUKA-UHFFFAOYSA-N	424.479	5.239	30	20	HKED	
COc1ccc(C)cc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	604362518	WYSRGHJEZOLUSC-UHFFFAOYSA-N	401.466	5.298	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1	604490593	BBCQYYZQDLWRBN-DEOSSOPVSA-N	416.546	5.067	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1	606950956	SPLVRZKVDYPJJS-UHFFFAOYSA-N	416.543	5.093	30	20	HKED	
CC(C)(C)c1nc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1	608847695	YFLMAHLVIDGVIM-UHFFFAOYSA-N	419.550	5.267	30	20	HKED	
CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SC[C@@H](C#N)CCC#N)o3)cc2C1	608861738	OURQYBNCHKDIMU-UKRRQHHQSA-N	400.573	5.485	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1F	609252577	QCJVPXVMOCJIFO-UHFFFAOYSA-N	423.419	5.268	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	609377556	YGZLNUICVLQQLD-WQVCFCJDSA-N	405.350	5.987	30	20	HKED	
Cc1cc(Cl)cc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)oc12	609750863	KDRYBDJLPOPVLC-CYBMUJFWSA-N	417.893	5.356	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CSc3ccccc32)cc1	609807645	HEXFQVVECNCZDN-QFIPXVFZSA-N	415.518	5.300	30	20	HKED	
Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1OCc1csc(Br)c1	610239533	KUGOLLQDAZASPL-UHFFFAOYSA-N	421.360	5.162	30	20	HKED	
Cc1nc(CCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)oc1-c1ccccc1	611467479	NXWCDOYDJCDWEI-UHFFFAOYSA-N	424.504	5.501	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1)c1ccccc1	613290563	GIPNRLKPFXXDNA-KDOFPFPSSA-N	411.383	5.125	30	20	HKED	
C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(C(F)(F)F)cc1	615500546	WHSVTHIVNAWOIL-JTQLQIEISA-N	401.215	5.417	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	618852684	WYMCWGVECXZEJI-JOCHJYFZSA-N	417.534	5.028	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1Cl	619827017	QUCLOTNRWLIHDC-UHFFFAOYSA-N	416.912	5.148	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccccc2)cs1	642281919	YTEVACRVZDBAPI-IBGZPJMESA-N	417.515	5.336	30	20	HKED	
CC(C)n1ncc2c(C(=O)O[C@@H](C)c3cccc(C#N)c3)cc(-c3ccco3)nc21	727639418	NGWGQHADRVKSSL-HNNXBMFYSA-N	400.438	5.062	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCOc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	728411092	DJYIITCJWUFXTN-UONOGXRCSA-N	402.397	5.058	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	730417113	KWKLOCPRLLTZKY-INIZCTEOSA-N	421.522	5.595	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSC1=Nc2ccccc2CS1	730952739	UGJQORFAESPCMG-AWEZNQCLSA-N	413.593	5.687	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Br)c1	733080935	GXCXVXUPUSNPKF-FPLPWBNLSA-N	415.268	5.377	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)c1	733842921	FRMNNCQMHSOHQC-NRFANRHFSA-N	415.518	5.151	30	20	HKED	
Cc1ccc(-c2ncc(/C=C\C(=O)c3ccc(NC(=O)NC(C)C)cc3)s2)cc1	734306066	KKKPIGSQFMQYKJ-SEYXRHQNSA-N	405.523	5.545	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1ccccc1OCc1ccccc1)c1ccncc1	734661179	JCAYNHBHDKCXAG-AUSIDOKSSA-N	401.510	5.338	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)n2)cc1	734966273	XIOTYMXIBLZXRZ-ARFHVFGLSA-N	410.445	5.077	30	20	HKED	
COc1ccc([C@@H](NC(=S)Nc2ccccc2C#N)c2ccccc2Cl)cc1	739462189	UDUVWNMIAWHGTK-OAQYLSRUSA-N	407.926	5.296	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(-c2cscn2)c1	744032104	CGGNCTLTHOPILN-MRXNPFEDSA-N	416.289	5.078	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)n2)cc1	744063187	YWTLRDOXVVIGAT-BRWVUGGUSA-N	410.445	5.077	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)C(=O)c3cccc(F)c3)n2)cc1	747108668	JEEOQCZQYWLAGW-KXBFYZLASA-N	406.482	5.343	30	20	HKED	
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)c1ccccc1-c1ccccc1	748036789	QZEGDYBXNIHBLL-LJQANCHMSA-N	424.504	5.122	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Cc3c(F)ccc(F)c3C2=O)cs1	749589145	ICDJAHFEDMGDOR-WQLSENKSSA-N	414.408	5.067	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)c2)cc1	751187488	BOENAKKWYAXGOQ-KNQAVFIVSA-N	418.518	5.140	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1C#N	752292238	QPMXFBMCTFOGLS-UHFFFAOYSA-N	419.441	5.043	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2cc(C)ccc2C)cc1C#N	752309074	XJFWJYYGGWNTJA-NRFANRHFSA-N	406.486	5.113	30	20	HKED	
CCN(CC)[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1	755634370	HZOFANPCKCATHB-UNMCSNQZSA-N	419.550	5.078	30	20	HKED	
CC[C@@H](C)c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	756223831	HHWJLAYBYCNAHX-CXAGYDPISA-N	405.523	5.279	30	20	HKED	
C=C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	759205449	JJXJEVBAQCHCPD-KNQAVFIVSA-N	410.473	5.486	30	20	HKED	
Cc1ccc(-c2nnc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1	760455163	KKVVMXPAOGUKRS-UHFFFAOYSA-N	414.440	5.247	30	20	HKED	
C#CCCOc1ccc(CNc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cc1	770583395	VIZBBOAYRAJFSE-UHFFFAOYSA-N	406.526	5.228	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(CC)cc2)c1	772647210	WKDUFWHEOSCKCU-QHCPKHFHSA-N	412.489	5.276	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(N(C)C)cc1	775402468	BUMHTHKZRHPDIW-GOSISDBHSA-N	415.562	5.408	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Oc2ccccc2-c2nnco2)c1	776339447	NSYLRMZTMOLCNK-UHFFFAOYSA-N	417.808	5.273	30	20	HKED	
C#CCOc1ccc([C@H](C)NC(c2cccc(OC)c2)c2cccc(OC)c2)cc1	776725324	JOVONMIYXUBRMD-IBGZPJMESA-N	401.506	5.156	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1OCC	780152220	QUCYTDWGXKNSCS-CQSZACIVSA-N	402.878	5.071	30	20	HKED	
C=CCN(C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)C(C)C	786184358	GUNQGTRGZJSNLL-UHFFFAOYSA-N	415.456	5.158	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(C(F)(F)F)cc1	786870023	HTHNGALMMQLQHY-IERDGZPVSA-N	417.475	5.593	30	20	HKED	
C=C(C)Cn1c(SCc2cc3ccccc3c(Cl)n2)nnc1-c1ccncc1	789944592	XRSSJYLWEAIMJU-UHFFFAOYSA-N	407.930	5.410	30	20	HKED	
O=C(/C=C\c1ncc(I)s1)c1cc2cc(Cl)ccc2o1	794696526	GASLKTYNZHSHHT-RQOWECAXSA-N	415.639	5.043	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)NCCCCC(F)(F)F)cc1F	794984206	VUWDKGYHGUDYEU-UHFFFAOYSA-N	411.424	5.509	30	20	HKED	
C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(C(F)(F)F)nc1	803063798	XUHPNSXYGOBVIW-AWEZNQCLSA-N	401.388	5.277	30	20	HKED	
Cc1ccc(Cl)c(NC(=S)N(C)CCOCc2ccc(C#N)cc2)c1Cl	809163608	AQRRVLXRPWWXHO-UHFFFAOYSA-N	408.354	5.019	30	20	HKED	
CCO[C@@H](c1noc(-c2ccc(C)c(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	809533213	XAOOKPFECIWYED-QGZVFWFLSA-N	405.351	5.201	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	810529631	KYXAFEURSXOUOV-MRXNPFEDSA-N	422.884	5.325	30	20	HKED	
CCOc1ccc([C@H](O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)cc1	812483068	VQGMVQJDZPLXDT-DEOSSOPVSA-N	421.928	5.109	30	20	HKED	
CC(=NNc1nc2ccccc2c(=O)n1C)c1ccc(-c2ccccc2Cl)s1	915111176	BCXJNWWAKQWYKU-UHFFFAOYSA-N	408.914	5.152	30	20	HKED	
CCc1cccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	916025642	HZSZDDYZMWHZOM-UHFFFAOYSA-N	401.535	5.703	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2ccc(F)cc2s1	916887529	PIEIMTIKZSXWNM-AWEZNQCLSA-N	420.437	5.316	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1	920324643	SHOOQHXONKTFQE-KRWDZBQOSA-N	411.452	5.474	30	20	HKED	
CCC1(Cn2c(CCOc3ccccc3)nnc2N2CCC(C)(C#N)CC2)CCCC1	1513621266	FGPGPORQHPOLGM-UHFFFAOYSA-N	421.589	5.000	30	20	HKED	
CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1	1786393440	DZPRCGPECIJYBF-OAQYLSRUSA-N	422.550	5.135	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)c3cccs3)cc2)CCC1	1791813996	LVOZFBASPKAIBT-GOSISDBHSA-N	408.567	5.179	30	20	HKED	
Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccccc1	7611172	WKSVLGNBAPIRFL-UHFFFAOYSA-O	416.353	5.640	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1ccc(F)cc1	15351918	BXTYACURIXSVQK-UHFFFAOYSA-N	414.556	5.748	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(F)cc1	16835633	COEBPRWSFXMXLE-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
C=CCn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccc(F)cc1	36844513	LNLJPKDDLGWGSA-UHFFFAOYSA-N	422.554	5.610	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2F)c1	58699198	VGCRTXZWNPQYPN-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
C=CCOc1cccc(NC(=O)C(=O)N[C@H](CCC)c2ccc(Cl)c(Cl)c2)c1	60709123	BGIFIJNOFIYWDL-LJQANCHMSA-N	421.324	5.154	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1OCC	65839371	DPWLGTPXKGOKRW-UHFFFAOYSA-N	416.905	5.439	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1	211774249	ZHNVCYCIMWBLSA-QBFSEMIESA-N	401.462	5.129	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C	303342061	WGCOGTAFSQGHMP-QGZVFWFLSA-N	403.482	5.080	30	20	HKED	
CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)cn1	410012554	CTYMCDINBTVKJN-UHFFFAOYSA-N	422.872	5.119	30	20	HKED	
Cc1c(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)sc2ccc(C#N)cc12	432409792	JAOXMULHILMWBM-UHFFFAOYSA-N	409.898	5.114	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)CCCC(=O)Nc3ccccc3C#N)n2)cc1C	432707831	ZSZHZDRYVOHBNR-UHFFFAOYSA-N	418.522	5.046	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(COC2CCCC2)cc1	438304054	UBXPBUQPFFWCAG-RPWUZVMVSA-N	403.526	5.449	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)c1	438841777	MJFYRQUGQDFKJY-INIZCTEOSA-N	409.555	5.264	30	20	HKED	
C[C@H](NCC1(Sc2ccccc2)CCCC1)C(=O)N(CCC#N)c1ccccc1	439589910	REVUTDXZXIKZTP-FQEVSTJZSA-N	407.583	5.016	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@H](CCC#N)c1ccccc1	439668802	BWBMVYZBZIAUDD-DNVCBOLYSA-N	409.942	5.530	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CCC(F)(F)F)c2)c1C#N	440928717	ZWNUCDRMHGFEBS-UHFFFAOYSA-N	405.445	5.300	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)CCC(C#N)(c2ccccc2)c2ccccc2)cs1	444653035	YRTFVVRBZBNTSN-FQEVSTJZSA-N	419.594	5.572	30	20	HKED	
FC(F)C(F)(F)COCc1noc(/C=C/c2ccc(Cl)c(C(F)(F)F)c2)n1	445753397	TURWRSXTKFWHMB-DUXPYHPUSA-N	418.696	5.329	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H](C)c1cccc(O)c1	460542091	IEMZSMWRZYIKQA-QGZVFWFLSA-N	424.570	5.058	30	20	HKED	
Cc1ccc(CC[C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	466213092	YRUIYKGRPIMKBZ-SFHVURJKSA-N	417.509	5.376	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CC=C(c2cccc3ccccc23)CC1	466603874	HGIPWZOQJNOKFS-UHFFFAOYSA-N	412.493	5.239	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)n1	468636847	BUFNGFPNUKFVCL-ZDUSSCGKSA-N	418.444	5.801	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCCCC1	470537234	JTFLOAOHZUCMPI-OAQYLSRUSA-N	410.562	5.140	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	473784956	HZJDZUYAMDCLQQ-UHFFFAOYSA-N	418.324	5.387	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@H](c1cccc(Cl)c1)c1ccccn1	475325299	LFXCCSXNOUPGMY-HSZRJFAPSA-N	423.969	5.331	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1	475577630	FPIPNHVNISDVIA-HNNXBMFYSA-N	411.493	6.287	30	20	HKED	
C=C(C)[C@@H](NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1)c1ccc(F)c(F)c1	478909326	KBYRUBSSFVDNAG-JOCHJYFZSA-N	419.493	5.081	30	20	HKED	
COc1ccccc1SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	479775828	DEJUAHQAEKCJFH-UHFFFAOYSA-N	422.481	5.016	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3cc(F)ccc3C#N)CC2)n1	485128958	PCKGEBGPKOHUNS-UHFFFAOYSA-N	407.514	5.209	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1sc(C)c(C)c1C#N	485372036	IGPJZZUWRWVYBC-UHFFFAOYSA-N	406.294	5.759	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccnc1OCc1ccccc1F	485668504	IVUFSTSXLBQEAA-UHFFFAOYSA-N	404.485	5.904	30	20	HKED	
CC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)nc1C	485765592	XOOHBTLFWSZUIU-HNNXBMFYSA-N	409.555	5.238	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2cc(Br)cnc12	486890715	AMJAHWCMFLQWMR-UHFFFAOYSA-N	423.314	5.311	30	20	HKED	
CCCN(C(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1Br	500242694	ACGGKJGTAZTJJE-HNNXBMFYSA-N	400.320	5.004	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC	502623163	YSYDHWAHNFRYTI-UHFFFAOYSA-N	417.465	5.629	30	20	HKED	
COCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccco1	506948842	HQKLCSOOKIEGIC-NRFANRHFSA-N	405.454	5.151	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)o2)cc1	507887030	IUCRMPAOEZFKAH-UHFFFAOYSA-N	422.440	6.065	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1nc2ccccc2o1	510135897	PGWYNFYNEPEUPW-GOSISDBHSA-N	402.837	5.550	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)CCc1ccc(O)cc1	512784637	VKBNNUGEXZRKDZ-SFHVURJKSA-N	415.493	5.507	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)cc1	512952962	OZNPSEDZXAUSEU-NRFANRHFSA-N	422.469	5.359	30	20	HKED	
CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513994814	QEPGMJYGFDQKTE-UHFFFAOYSA-N	421.447	5.469	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2ccccc2)cs1	517303055	HYIGOBGPNQPPAA-UHFFFAOYSA-N	420.925	5.482	30	20	HKED	
C=CCCO[C@@H](C)C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1	519318277	DUNKYQJWRUPFFO-AWEZNQCLSA-N	408.548	5.588	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N	519605021	LVMZNYQHJXNPBT-CQSZACIVSA-N	408.445	5.426	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)CCc1ccc(C#N)cc1	525466216	OXAHKKRVBBCTNB-UHFFFAOYSA-N	412.468	5.131	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)s2)cc1	530964950	GNKGNGNGDODBIG-SFTDATJTSA-N	417.534	5.039	30	20	HKED	
Cc1nc(O)c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1-c1ccccc1	531170753	YPGIJKZXEUIRAK-IBGZPJMESA-N	412.276	5.064	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(C[C@@H](C)C#N)C3CC3)cc2Cl)n1	533603387	RVJVLLFRPXOVSW-NSHDSACASA-N	406.964	5.412	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1C(=O)NC(C)C	537552069	BCZIJDHQAXZBPN-UHFFFAOYSA-N	413.477	5.050	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(SC2CC2)cc1	542117553	KPIAIXQFRFZWGO-UHFFFAOYSA-N	401.491	5.561	30	20	HKED	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	549948287	SOGFROTXONYRKU-KRWDZBQOSA-N	408.461	5.111	30	20	HKED	
N#Cc1ccc(-c2nnc(CS[C@H](c3ccccc3)c3ccc(Cl)cc3)o2)cc1	555159795	TVLCATBXUXTXBM-JOCHJYFZSA-N	417.921	6.284	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OC(C)C)CC1	555265911	RIMQWSTZQHMJKB-HXUWFJFHSA-N	412.578	5.005	30	20	HKED	
Cc1noc(C)c1C(C)(C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	558315773	ZBVBKIXPBVCSSW-UHFFFAOYSA-N	424.888	5.666	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc(N(C)C)c1	559682170	RHLBZGOPXWHVHO-CYBMUJFWSA-N	418.360	5.162	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1	566380340	GPEYQEVSOGIRJS-LJQANCHMSA-N	415.331	5.015	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cnn1-c1ccc(Cl)cc1	580478913	FOQGOELGQKNHIX-UHFFFAOYSA-N	421.932	5.396	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(Oc2ccnc(C#N)c2)cc1	589323619	OHUPVOAIROKLLP-UHFFFAOYSA-N	409.493	5.219	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c2ccc(Br)cc2n1	603952321	PXSKJCLEXPDGFR-UHFFFAOYSA-N	400.663	5.083	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)n2)cc1	604528047	GQHBWBQACDTJQE-DLBZAZTESA-N	424.323	5.186	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	604572075	LEXYQEGKVYBYCS-UHFFFAOYSA-N	417.509	5.019	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	609213549	VBVDHFRKXHDZEZ-HXUWFJFHSA-N	420.513	5.040	30	20	HKED	
COCCc1ccc(OCCCC(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	609262162	OUEXPCAPDNPLNV-UHFFFAOYSA-N	420.534	5.273	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3OCC3CC3)c2)cc1	610123487	DMWKCEFEVHRXRF-UHFFFAOYSA-N	402.425	5.531	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(C(F)(F)F)cc1Br	611095777	CTIGCCPHVOKHQV-UHFFFAOYSA-N	406.246	5.262	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1	614999779	HLKHSDDXUOVZSZ-UHFFFAOYSA-N	405.306	5.376	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1	619767284	APFONRAGCLENIW-UHFFFAOYSA-N	406.917	5.091	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c[nH]c3cc(C)ccc23)cc1	726149962	RSQHSPHGPYDSEK-UHFFFAOYSA-N	411.461	5.330	30	20	HKED	
CC(C)[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1	728767258	YYTCATHTQWWVQV-DLBZAZTESA-N	403.309	5.471	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1sc2cc(Br)ccc2c1Cl	729824576	GZIMFBMZOSKSEP-UHFFFAOYSA-N	412.658	5.508	30	20	HKED	
O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccccc1OC(F)F	730950538	FJEQGTQKJOOTGA-YFHOEESVSA-N	414.360	5.054	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(SC(F)F)c2)ccc1OC	733631472	XYEQPJIYVWGFDC-HNNXBMFYSA-N	421.469	5.013	30	20	HKED	
OC1(C(F)(F)F)CCC(=NNc2ncnc3scc(-c4ccc(F)cc4)c23)CC1	734744625	BMGCCYFNNBNHFY-UHFFFAOYSA-N	424.423	5.133	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	740447160	IIWBKNRGJKTSID-UHFFFAOYSA-N	424.432	5.082	30	20	HKED	
CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	743238799	VYYGHVFXVOYJAB-UHFFFAOYSA-N	410.836	5.202	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C\c2ccc(C#N)o2)SC1=S	743282470	NIUNAPCHZHCTCU-HXBVQPGFSA-N	409.319	5.420	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)cc1	743429474	PTQRNCPJVHASPJ-UHFFFAOYSA-N	423.472	5.443	30	20	HKED	
Cc1ccc(F)c(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	743566027	LTTPXICCACJXAW-NXEZZACHSA-N	402.379	5.330	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1nc2cc(C(F)(F)F)ccc2s1	744038603	WXHGQILQEYQRRK-FRRDWIJNSA-N	422.378	5.573	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1	753896992	IHXJAAPAGMYFDV-FPLPWBNLSA-N	415.301	5.915	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1	760792201	JQWZPHSXLQFAFH-OAQYLSRUSA-N	410.445	5.339	30	20	HKED	
N#Cc1cc(C(F)(F)F)ccc1N1CCC(O)(c2ccccc2C(F)(F)F)CC1	764915467	YFNBMJCJMBCQCK-UHFFFAOYSA-N	414.349	5.084	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1	764986914	IDZXHBFIIJAYTA-DLBZAZTESA-N	413.949	5.514	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)[C@H](C)c2nc3ccccc3s2)ccc1OC	772979048	KFOPDJCBDVGXHW-LZLYRXPVSA-N	409.555	5.268	30	20	HKED	
C=CCC[C@@H](NCc1cc(=O)oc2cc(NC(=O)OCC)ccc12)c1ccccc1	775464920	UVZDQYIWYIBSKZ-OAQYLSRUSA-N	406.482	5.159	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)Nc2cccc(CN3CCC(CO)CC3)c2)cc1	777242918	UUEWCENNHSBRCO-IBGZPJMESA-N	414.977	5.195	30	20	HKED	
COc1sc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)cc1Br	777468699	WFAQYBSLXOWRFC-XBXARRHUSA-N	418.234	5.146	30	20	HKED	
C=CCC[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	777654852	SZEUUIBKCZIPDM-JOCHJYFZSA-N	414.496	5.123	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1cn(C)nc1-c1ccc(C#N)cc1	779034330	XOHHKUSWYFIBMW-UHFFFAOYSA-N	417.513	5.226	30	20	HKED	
CC[C@@H](C)c1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)NC3CC3)c3ccccc3n2)cc1	780305331	IQHJDWKCZRWLPU-ZHRRBRCNSA-N	411.505	5.016	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1C(F)F	780315163	OJYOOUSKEYFBQD-LJQANCHMSA-N	417.415	5.354	30	20	HKED	
N#C[C@@H](C(=O)CCOc1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	780315808	ZGLSQFJSASXSMG-SFHVURJKSA-N	405.404	5.230	30	20	HKED	
COC1CCN(c2ccc(N[C@H](C)c3ccc(C#N)cc3F)cc2C(F)(F)F)CC1	781421334	IULOZJZFGBOJOJ-CQSZACIVSA-N	421.438	5.504	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)n2)cc1	786359696	NWVVRTPJEGYZJS-RBSFLKMASA-N	409.923	5.377	30	20	HKED	
Fc1cccc(F)c1[C@@H](NCc1ccc(Cl)nc1C(F)(F)F)C(F)(F)F	787280122	FHWRELYCVZDICS-CYBMUJFWSA-N	404.688	5.425	30	20	HKED	
C=CCN(CCC#N)Cn1nc(-c2ccccc2)n([C@H](C)c2ccccc2)c1=S	793569415	QWXDDIPVJKZNEP-LJQANCHMSA-N	403.555	5.050	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1	793584678	GXRQXWSVEUGLBY-FXAWDEMLSA-N	407.514	5.298	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1	798819814	KNOMZDVCUWJLIH-MLGOLLRUSA-N	401.413	5.204	30	20	HKED	
CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCCCSCC#N	805329341	CJVSAJYWGWKRNU-UHFFFAOYSA-N	414.552	5.123	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)c2C#N)C1	875452436	ZAUIGOUTWMUZCT-ACJLOTCBSA-N	408.523	5.011	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2cccs2)nc1C	916903498	OTHUZTVRXWHEQX-MRXNPFEDSA-N	423.563	5.266	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1cccc(C(C)C)c1	916906681	IUQGKLIJNPNHSA-VGOFRKELSA-N	406.526	5.050	30	20	HKED	
N#C[C@H](C(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc2cc(Cl)ccc2s1	917044038	PCWSWRZMBYWTJK-BXUZGUMPSA-N	403.290	5.031	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917044285	SGAIABXYOKCZAO-HZMBPMFUSA-N	424.831	5.612	30	20	HKED	
CC(C)CN(CCC#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	917363536	RKXITKKTCLRQDP-UHFFFAOYSA-N	401.850	5.052	30	20	HKED	
CCc1cc(C#N)c(NC(=O)COc2ccc(C3SCCCS3)cc2)s1	917879083	YIVZEZCXIJAVQZ-UHFFFAOYSA-N	404.582	5.068	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)oc4ccc(OC)cc34)n2)cc1	920139567	VDADWQDOSBWDLF-GOSISDBHSA-N	418.474	5.372	30	20	HKED	
Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920142831	WRLQGTKXESDXLK-LJQANCHMSA-N	401.491	5.026	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(C)c2C)cc1	10167785	BNLKHPKJPFWFDP-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(C(C)(C)C)cc1	27310997	RDBCFFDTKFSUOJ-UHFFFAOYSA-O	423.646	5.610	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1c[nH]c2cc(F)ccc12	65160878	NCJPEEVCVMYEPB-UHFFFAOYSA-N	415.493	5.302	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1	65736135	FCHVDSMRXLVQGE-JOCHJYFZSA-N	420.896	5.015	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1	65878440	UTPYQFNOYNNQSK-UHFFFAOYSA-N	415.518	5.444	30	20	HKED	
CC(C)Oc1cccc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	66025437	ZICQBWQMHKUFKH-UHFFFAOYSA-N	414.505	5.300	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccccc1F	215716114	WZGZEEYZTZLWKG-UHFFFAOYSA-N	421.501	5.175	30	20	HKED	
Fc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1	254489045	VTNOVMZZRMSAGJ-UHFFFAOYSA-N	404.470	5.208	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1[N+](=O)[O-]	301313887	ICTJBZQGXDWUIB-UHFFFAOYSA-N	403.463	5.320	30	20	HKED	
COc1cccc([C@@H](CNc2c(C#N)cccc2C#N)c2c[nH]c3ccccc23)c1OC	302840228	LIYCMUSHLQFVIC-JOCHJYFZSA-N	422.488	5.172	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C	303294936	XUEMTYPBNAVWQM-UHFFFAOYSA-N	407.518	5.064	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccco3)Cc3ccco3)c2)cc1	303651320	UFKWYRXTHXMQED-UHFFFAOYSA-N	412.445	5.166	30	20	HKED	
C=C1CCN(C(=O)C/C(=C\c2cccc(OC)c2)c2nc3ccccc3s2)CC1	426496281	OETUMEGVEXTYLM-XMHGGMMESA-N	404.535	5.414	30	20	HKED	
CO[C@@]1(C)CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	431901768	JURGIHFAMAZIIJ-REWPJTCUSA-N	411.933	5.418	30	20	HKED	
CC(C)(C)c1nc2ccc(NCc3cn(CCC#N)nc3-c3ccncc3)cc2s1	433337856	DTQUQGJNHQBMQY-UHFFFAOYSA-N	416.554	5.378	30	20	HKED	
CN(Cc1cc(Cl)ccc1F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	434233334	LSZJQVROIJFLLM-UHFFFAOYSA-N	414.893	5.062	30	20	HKED	
CSc1c(F)cccc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	435685451	YDYGVFNZTGKNOI-OAQYLSRUSA-N	406.482	5.121	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N(CCC(F)(F)F)CC1CC1	438143308	OYFQWTVHVCIVBN-UHFFFAOYSA-N	404.457	5.514	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	439477781	MFVLGCXZRISDSD-QFIPXVFZSA-N	404.514	5.372	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1	440238177	HRVJAWLWIPKAOP-PXNSSMCTSA-N	407.905	5.108	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc([S@@](C)=O)c1)c1ccc(C(F)(F)F)cc1	442196079	CKARDBYYUYXTDI-KWMCUTETSA-N	410.461	5.272	30	20	HKED	
C[C@H](Sc1nnc(S[C@H](C)c2cccc(C#N)c2)n1C)c1cccc(C#N)c1	442895742	BERSEPRHIARGKL-GASCZTMLSA-N	405.552	5.265	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)cn1	444328778	NBNVCPTYXOQKOI-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	464847870	ANIKDEDAZLKQMU-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
CCn1cnnc1-c1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	464916925	LEARTNLSYJSUPL-UHFFFAOYSA-N	423.476	5.190	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	465029406	QPCRUZGTJWCZRD-HXUWFJFHSA-N	414.505	5.375	30	20	HKED	
COc1ccc(C2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)cc1	465384248	VCRWTDBKOAQWPK-UHFFFAOYSA-N	411.505	5.330	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](c1cccs1)C(C)(C)C	476370400	RLDWQLFOJBYNIO-FOIQADDNSA-N	401.601	5.458	30	20	HKED	
C=CCCCC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1	479510876	NIXSVXQPZSHBCJ-UHFFFAOYSA-N	413.326	5.089	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)s1	479656536	DONFBYUPNCEQOO-HNNXBMFYSA-N	407.564	5.616	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CC=C(C(F)(F)F)CC1	482311091	PFGKCKHCTLANGY-LBPRGKRZSA-N	420.275	5.213	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cs2)cc1	483222268	BFSSUVYZPRZVSM-KRWDZBQOSA-N	414.490	5.032	30	20	HKED	
CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](c1ccncc1)c1ccc(Cl)cc1	483439860	FMLYTDVJQXUQCM-QFIPXVFZSA-N	418.928	5.789	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl)c1ccccc1	484156627	GNTIPCRKHZDBLR-MRXNPFEDSA-N	413.930	5.020	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1nc2c(cc1C#N)CCCC2	484166873	WEHZFFKAAUTMCO-ZDUSSCGKSA-N	422.941	5.153	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	485738079	YRWGYOCNNOWXOY-SFHVURJKSA-N	416.546	5.708	30	20	HKED	
C[C@H](CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1c[nH]c2ccccc12	486123905	FRDIGMFUWZUBPE-CQSZACIVSA-N	403.873	5.011	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3nc(-c4ccc(F)c(F)c4)no3)c2)cc1	486457723	IODLUZHWLSVCTF-UHFFFAOYSA-N	404.376	5.291	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](Cc1ccccc1)c1cccs1	497571049	KVWVGFIXTQLCOU-JOCHJYFZSA-N	422.598	5.597	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	500372762	WMGCOPBSEUAIIQ-WIQPIVSASA-N	420.578	5.111	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1cccc(COCc2ccccc2)c1	500849490	NUBSJBWKJJXJCL-UHFFFAOYSA-N	400.522	5.301	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc([C@H]2CCCOC2)cc1	502941363	QEZKSOMIXDZPIX-QFIPXVFZSA-N	412.489	5.805	30	20	HKED	
N#C[C@H](NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1cccc(C(F)(F)F)c1	504538166	GRVFEOCLFWODJF-HNNXBMFYSA-N	423.366	5.102	30	20	HKED	
CCSc1ccc([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	504711567	JXDWWPLISCCOJP-INIZCTEOSA-N	406.507	5.333	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1cccc(C(F)(F)F)c1	505933768	MYDKADTWKFBMEX-NRFANRHFSA-N	410.395	5.279	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)CC(C)(C)C)cc1	509237994	URQLZLCGOHLUHC-UHFFFAOYSA-N	419.569	5.581	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1ccccc1)N(C)C	510325667	INNORKZJYORVQB-XMMPIXPASA-N	414.509	5.083	30	20	HKED	
O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510950182	TWOHZXFTMJRDFA-ZLDLUXBVSA-N	414.365	5.487	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl	512547433	NHZAEPGEQFSYCQ-HNNXBMFYSA-N	409.361	5.176	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1	513212640	OMIOTRFDYKMBNH-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
CC(C)Cn1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)c(C(F)F)n1	513257589	SCDSPAUQWYUYRQ-UHFFFAOYSA-N	410.468	5.539	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H](C)c1cccc(OC)c1	513462919	HPAJTGIOUOXLAT-LJQANCHMSA-N	414.505	5.369	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccc(Cl)cc4c3C)n2)cc1	516714197	UEFBHMSVSLIUQC-QGZVFWFLSA-N	422.893	6.017	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCCC(C)C	517517872	LGUUACSIXWXUHM-KRWDZBQOSA-N	412.555	5.767	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CSCc1cc(-c2cccs2)on1	518123420	JXIYDCWFEHKBGV-UHFFFAOYSA-N	415.565	5.281	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCc3cccc4cccnc34)cc2)cc1	519053189	WNMUVJDXZPZBPD-UHFFFAOYSA-N	408.461	5.263	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1	520194427	SXSDDMPEXTWYHC-UHFFFAOYSA-N	420.557	5.326	30	20	HKED	
CCN(C(=O)CCOc1ccc(C)cc1Br)[C@@H](C)c1ccc(C#N)cc1	520864524	ZHQDTJWFDYNLDO-INIZCTEOSA-N	415.331	5.008	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	521746906	JMOZRIXWELMDEI-KRWDZBQOSA-N	415.449	5.096	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1cccc(Cl)c1Cl	521768316	CGYOKZSZHNXQHM-KRWDZBQOSA-N	419.239	5.299	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)c2)cc1	523021533	JWMPSXOXJBLDHL-HXUWFJFHSA-N	415.468	5.586	30	20	HKED	
CC[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cc(F)ccc1F	524923959	GXDVFDJBYXAAPJ-IBGZPJMESA-N	412.465	5.157	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1	533368904	APANHOLQTNOLCK-FQEVSTJZSA-N	415.971	5.099	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C#N)s1	534520180	MLTIGVARGMAUGE-UHFFFAOYSA-N	403.507	5.422	30	20	HKED	
CCc1sc(NC(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1ccc(OC)cc1	538522861	RQDNDJBXIBNDQW-UHFFFAOYSA-N	403.507	5.189	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)cc2)CC1	539593755	UBIYJMPVJAULFS-UHFFFAOYSA-N	411.292	5.046	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)c1	542954143	QRQDFESFGBVNIC-UHFFFAOYSA-N	411.461	5.290	30	20	HKED	
N#C[C@H](C(=O)c1ccn(Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	543805596	KWVCVNPCFOBUPX-HXUWFJFHSA-N	417.921	5.803	30	20	HKED	
N#CCCC[C@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1	551599566	ZXDPYGYJSCQHRL-INIZCTEOSA-N	424.715	5.137	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1	552239388	ZJRRJDVYAJNKKM-UHFFFAOYSA-N	414.943	5.152	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1	552486328	KSEXUPFQCFFYFZ-RDPSFJRHSA-N	414.530	5.217	30	20	HKED	
Cc1c(NC(=O)C2(C#N)CCCCC2)ccc(NC(=O)C2(C#N)CCCCC2)c1C	552954884	BZORAKKQGRMDAF-UHFFFAOYSA-N	406.530	5.129	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1	553434968	ZDIUOKSOBCNTPS-LJQANCHMSA-N	405.494	5.130	30	20	HKED	
C=CCCOCCCCC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21	563566573	YXFMOUHHRKJSEY-LJQANCHMSA-N	419.363	5.187	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C	574724789	GFUSYCHVBLKBFS-DLTYFMDKSA-N	414.553	5.092	30	20	HKED	
Cc1cccnc1C(C)(C)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	574964220	BZGKZIBPBUVZJO-UHFFFAOYSA-N	400.482	5.153	30	20	HKED	
CC(C)c1nc2cc(NC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccc2o1	584458174	UTUJZPWVLFEESY-UHFFFAOYSA-N	417.494	5.514	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	603660094	KMOYBUKQHZJXRL-UHFFFAOYSA-N	418.547	5.484	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@@H]1c1ccc2c(c1)OCCO2	603837896	GCFTVPNMVFAGIR-QGZVFWFLSA-N	409.848	5.012	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1	604002953	NXMXINPMLDCIRU-OAQYLSRUSA-N	400.482	5.300	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	607475931	CFJUYXBKTGOKCR-UHFFFAOYSA-N	405.203	5.371	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nc(C)cs1	609207607	IFYCOKDBYSZGDF-FQEVSTJZSA-N	420.538	5.483	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cccc(Cl)c1	609377836	PIRKZPQMZQWGLA-HNNXBMFYSA-N	424.957	5.592	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Cl)cc1Cl	609434892	YJZNGKZEMCBKPN-ZDUSSCGKSA-N	408.354	6.052	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	609683361	RMEXWIFNQHECFU-AVRDEDQJSA-N	424.504	5.220	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2-n2ccnc2)c1	609730865	BZBJGEKXGYKDPJ-UHFFFAOYSA-N	414.852	5.442	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)CNc2ccc(C#N)cc2)nc1-c1ccccc1	610115595	SQEDGUALWFNYRO-OAQYLSRUSA-N	414.509	5.112	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NC2CCN(c3cccs3)CC2)cc1	610672515	WIUZWIVHEMTSDX-UHFFFAOYSA-N	419.575	5.170	30	20	HKED	
COc1ccc(-c2cncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)cc1	610706185	MNJDTORFDUWRBD-UHFFFAOYSA-N	422.444	5.068	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1ccc(C#N)cc1Cl	611102355	BKUUBUMKJDWBJW-OAHLLOKOSA-N	410.930	5.134	30	20	HKED	
CC(=O)c1cccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	611871748	BTMPZHZDOPEWIY-JOCHJYFZSA-N	418.880	5.216	30	20	HKED	
COc1ccc(C(=O)N2CCCCCC2)cc1NCc1ccc(C(C)(C)C#N)cc1	614056182	HEOYJOLRRJTXHS-UHFFFAOYSA-N	405.542	5.125	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1nc2ccccc2o1	614439861	QDKGPESYFGHHSR-GOSISDBHSA-N	406.363	6.004	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCC2CC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	619753816	PDAXFBNRKHCFAR-INIZCTEOSA-N	416.424	5.594	30	20	HKED	
CCc1cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	672773215	QUOMFBFZUQSQAL-GHMZBOCLSA-N	400.338	5.419	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1Cl	677792331	CXRKRFNNIACRBM-IBGZPJMESA-N	423.859	6.042	30	20	HKED	
Cc1nc(/C=C2/COc3ccc(F)cc32)sc1C(=O)/C=C1\COc2ccc(F)cc21	729149511	ISMKQJANJCEKTN-JFCLYLFASA-N	423.440	5.321	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)on1	730417090	KNVCBEIRGNRQAW-MRXNPFEDSA-N	423.494	5.514	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(C(F)(F)F)cc1	730419863	DQLZMYRGGXQIEB-XHDPSFHLSA-N	406.404	5.824	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H](O)c3ccc4ccccc4c3)c2)cc1	731540666	KWWQNGLZWHHMIP-VWLOTQADSA-N	423.472	5.359	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCC2	732418311	PWQAIYIDWKPPOU-IRLDBZIGSA-N	416.550	5.648	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCc3cc4ccccc4nc3O)cc2)cc1	733494968	GVTPDKWISJUYSH-UHFFFAOYSA-N	410.429	5.156	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	735592703	CTZDBXJWIVWBPW-YJBOKZPZSA-N	408.910	5.596	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(OC[C@H]4CCCO4)cc3)c2)s1	740014873	XPIUKRSSTHGRTB-JOCHJYFZSA-N	404.535	5.134	30	20	HKED	
CCN(CC)C(=O)c1cccc(OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	741599644	YXGSECGIYQROQT-UHFFFAOYSA-N	414.461	5.052	30	20	HKED	
Cc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)cc(C)c1OCc1ccccn1	752875755	UZXUPCYDTBPIGY-RMKNXTFCSA-N	406.413	5.221	30	20	HKED	
Cc1cc(F)cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-]	753352873	MZCYBFJZUQHPBU-IBGZPJMESA-N	423.831	5.604	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1	758536140	QBCSYZQQJMGEOQ-YTFSRNRJSA-N	415.493	5.055	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2cc(Cl)ccc2NCc2ccccc2)c1	761177991	GYGVJUCTJLIBHJ-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(C(F)(F)F)s3)c(=O)c2c1-c1ccccc1	761748501	GKJNUYXHVGYOGG-UHFFFAOYSA-N	419.453	5.396	30	20	HKED	
CC(=NNc1c(F)cc(C(=O)NC2CC2)cc1F)[C@@H](C)c1nc2ccccc2s1	763187546	CUDZRJOUUOAQTB-LLVKDONJSA-N	414.481	5.058	30	20	HKED	
C=CC[C@@H](N[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1	766019253	LCFRQRVZWURSFW-SCLBCKFNSA-N	411.855	5.378	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1	769730153	MEAUYHXFFZAKIW-GOSISDBHSA-N	413.905	5.196	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCCc2cccc(C(F)(F)F)c2)c1	769940698	APHPYJDMKWURCV-LJQANCHMSA-N	404.432	5.025	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2sc(Cc3ccccc3)nc2C)c1	772984242	ONPCZEFBQSCULD-UTKZUKDTSA-N	405.567	5.574	30	20	HKED	
C[C@@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc(OCC#N)cc1	775586482	QAPKTFRIRJNIER-ZUOKHONESA-N	403.295	5.292	30	20	HKED	
Cc1csc(SCc2c(C(=O)N3CCC(C)(C#N)CC3)oc3ccccc23)n1	780779358	ZEJGZGMYHILNQS-UHFFFAOYSA-N	411.552	5.256	30	20	HKED	
CCOc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c12	783076891	LIELEVXNDAWVTL-GOSISDBHSA-N	415.518	5.418	30	20	HKED	
Cn1c(CC(=NOCc2ccc(C#N)cc2Cl)c2ccccc2)nc2ccccc21	783983962	AKDAVMDKKZZZJJ-UHFFFAOYSA-N	414.896	5.262	30	20	HKED	
O=C(/C=C\c1ncc(C(F)(F)F)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	788353899	JVUIBJIVQVDOOQ-VGVVRCBHSA-N	415.408	5.145	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC=C(Br)C1	799391363	OYEJFRMZOPVSOW-UHFFFAOYSA-N	412.287	5.175	30	20	HKED	
C[C@@H](O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F	804802381	IAKWJGWNEDQQEA-CYBMUJFWSA-N	410.832	5.449	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nccn1-c1ccccc1	806201110	UJYFYGXHAAOZOJ-DVECYGJZSA-N	421.504	5.410	30	20	HKED	
C=CCn1c(=S)n(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)c2ccccc21	808241745	XKDFSVIAARIHPJ-LJQANCHMSA-N	409.559	5.193	30	20	HKED	
COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	810373498	VLKWROQRDUMMMA-UHFFFAOYSA-N	406.825	5.043	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)ccc2F)cc1	915086287	SFOQVEVWDSGFGR-IBGZPJMESA-N	409.258	5.496	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2cc(-c3ccc(F)cc3)no2)cc1OC	915212785	AXFNOEPNDJHLPT-UHFFFAOYSA-N	404.825	5.092	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1	915351681	AYBYSWRHLMJNTG-AREMUKBSSA-N	417.512	6.253	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2cccs2)cc1	915710681	VZUNFBVHFRHOLK-UZUQRXQVSA-N	419.550	6.075	30	20	HKED	
Oc1c(Cl)cc(Cl)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1	916546318	LGUILPWVZWCYMZ-UHFFFAOYSA-N	413.717	5.118	30	20	HKED	
Cc1ccc(Cn2nc(C)c(CNc3cccc(OCCCC#N)c3)c2Cl)cc1	916843784	QXFYKWODWVKPEZ-UHFFFAOYSA-N	408.933	5.496	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1828823637	VXALDVOYMUYJCR-DQEYMECFSA-N	422.613	5.007	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2)CC1	1829958672	IPWWVMTWDWGDMB-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)o2)cc1C	4507798	SMUULBYASYRWCS-UHFFFAOYSA-N	416.506	5.197	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccccc1OC	6076769	OTBWNCNOGNKQIV-KRWDZBQOSA-N	407.539	5.120	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2cccc(O)c2)c(C)s1	11164205	AIFUJTOGTSXWMV-UHFFFAOYSA-O	411.572	5.026	30	20	HKED	
Cc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(Br)c1	14738878	NPYJGABEGWIKEM-UHFFFAOYSA-N	421.294	5.314	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2cccc(C)c2)cc1	22730916	SEJDQJLRRJSGLX-UHFFFAOYSA-O	405.543	5.041	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2cccc(CC)c2)cc1	22732254	YQSOFGUMVQQTOU-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
C=CCn1c(SCc2ccccn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	31698597	WEKGEPABOSWVDG-UHFFFAOYSA-N	423.538	5.446	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2ccccc2s1	60477202	QQKBYQJKTBUNSY-INIZCTEOSA-N	411.511	6.063	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	63403602	HMLREFCCQRZOLT-JOCHJYFZSA-N	421.953	5.760	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	65466947	RSPDWKVFGBFUIB-UHFFFAOYSA-N	419.912	5.812	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc(C)c(OC)c2)cc1OCC	65977183	LNVNFWGQRQVPEM-UHFFFAOYSA-N	420.347	5.019	30	20	HKED	
CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccccc1-c1ccccc1C#N	108637643	RSIRGJSAWLVOCI-UHFFFAOYSA-N	420.516	5.320	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCSCc2ccccn2)cc1Cl	108964555	SMBAOVJHRMFBBC-NRFANRHFSA-N	421.953	5.652	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2	115935271	LRXYVKZCXAUMQQ-ZFGQVMFLSA-N	415.537	5.345	30	20	HKED	
Cc1ccccc1C(=O)/C(=C(\S)Nc1ccc(C(C)C)cc1)[n+]1cc(O)ccc1C	139850502	JNHOUIDPEMWEDM-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1nc(-c2ccncc2)cs1	195662478	STSJHUAXMAXHMI-INIZCTEOSA-N	418.547	5.404	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(F)c3C)o2)ccc1OC	237021298	FPSNZKKVOOSZMO-SFHVURJKSA-N	408.473	5.374	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1	237828070	VUVQHCKFWCBAIH-MHZLTWQESA-N	412.533	5.573	30	20	HKED	
C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(NC(=O)c2ccncc2)cc1	301737092	VPQVQVSLLLKAEV-CQSZACIVSA-N	410.399	5.397	30	20	HKED	
CC(C)(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	303659263	GYHXLOZZMPAZQY-UHFFFAOYSA-N	421.303	5.326	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1	409506620	HXDCUWPRNLZPNV-IBGZPJMESA-N	421.541	5.171	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1	410279234	OGZKPRMHBTXTGX-UHFFFAOYSA-N	412.493	5.062	30	20	HKED	
COc1ccccc1-c1ccc(CN(CCCC2(C#N)CCOCC2)C(C)C)cc1	410383914	SYATXOATQBJHQP-UHFFFAOYSA-N	406.570	5.673	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1cccc2[nH]ccc12)c1ccc(-c2cccc(C#N)c2)cc1	426133152	HFVAVSIETPIGPR-SFHVURJKSA-N	408.505	5.609	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	429098273	SUMULDTTXDLQFV-UHFFFAOYSA-N	416.525	5.421	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1	431214005	QNWBGWSXPZJCFM-TZIWHRDSSA-N	423.582	5.336	30	20	HKED	
CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)c1csc(-c2ccccc2F)n1	432658203	XRQJVVIZOPCSCJ-UHFFFAOYSA-N	423.513	5.548	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1	433814543	IEMMCKJAVYROQG-KRWDZBQOSA-N	410.909	5.013	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)cc1	435104263	QEFQNZJVZQBHPK-CYBMUJFWSA-N	418.324	5.060	30	20	HKED	
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1F	437047207	ZUJYVQAJWIFEIY-PIGZYNQJSA-N	404.329	6.060	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)cc1	439342179	BVYUMYTVRYXAOI-NFBKMPQASA-N	417.553	5.301	30	20	HKED	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1	439669013	BPNKTVAGJUEKCZ-IBGZPJMESA-N	412.921	5.035	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)cs1	442681314	HXLVVHWCLQNLAR-OAHLLOKOSA-N	408.433	5.353	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1	442690331	JIZNMVAQEJXMNV-KRWDZBQOSA-N	401.476	5.234	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(Br)c(Cl)c3Cl)CC2)cc1	445956394	IEGNPWWXYUSHMD-UHFFFAOYSA-N	410.098	5.298	30	20	HKED	
O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CC[C@H](CC(F)(F)F)C1	446369783	OLRWKDJPACCDQQ-PELKAZGASA-N	406.729	5.066	30	20	HKED	
C[C@H](C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(C#N)c1	462215377	WKXPAUNWEMRKCB-ZDUSSCGKSA-N	415.440	5.120	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)cc(Cl)c2ccccc12	462857356	VMOAFHIXPYCTNG-UHFFFAOYSA-N	407.901	5.354	30	20	HKED	
COc1cccc([C@@H](CNc2ccc(F)cc2C#N)c2c[nH]c3ccccc23)c1OC	462926305	VQWRLQRISPXXQJ-OAQYLSRUSA-N	415.468	5.440	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1cccc(C(F)(F)F)c1	463764493	OHSXKFVQYUGADI-HXUWFJFHSA-N	413.374	5.265	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccccc1	466611763	VOEXSTBJJZWULE-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12	469765136	SNTXRCVDPJXQGM-OPAMFIHVSA-N	409.917	5.104	30	20	HKED	
CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	470101193	RMMAMQAULLOMAZ-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1	476344136	WIAQKOJWABQHPL-KRWDZBQOSA-N	403.309	5.088	30	20	HKED	
C=CCC[C@H](NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1)c1ccc(C(F)(F)F)cc1	476408763	SCJTZJHKJTXXQE-AEFFLSMTSA-N	419.491	5.481	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCCOc4c(F)cccc43)c2)c1	478273761	KUXFXFUCTPSNQB-DEOSSOPVSA-N	402.469	5.280	30	20	HKED	
Cc1csc([C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C2CC2)n1	479833369	XYQSDIMMWCIKFY-FQEVSTJZSA-N	405.548	5.356	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	480356666	OVNCIFKQUTWWRY-SCZZXKLOSA-N	418.309	5.084	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(Oc2cccnc2)nc1	480787810	DEBNXMBHCJYKIV-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F	482321727	GWGJMPQCKZFHGD-INIZCTEOSA-N	418.868	5.411	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)s2)cc1	482634488	KWWJMCGKHUIYCD-GOSISDBHSA-N	415.440	5.280	30	20	HKED	
Cn1cc(C#N)c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)n1	483714943	WEISMUFOCRKJCM-UHFFFAOYSA-N	421.671	5.297	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCSc1ccnc2cc(Cl)ccc12)c1ccccc1	487219163	MMRNXGGTTQOTJE-HXUWFJFHSA-N	423.969	5.922	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCSCc1cc(C#N)ccc1Br	492260713	SOCUHFRQCBVPFJ-UHFFFAOYSA-N	417.372	5.590	30	20	HKED	
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1csc(-c2ccc(Cl)cc2)c1	500062708	UHIAOWULFZHZAC-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
C=C[C@@H](CC(=O)Nc1c(-c2ccc(Br)cc2)ncn1C)c1ccccc1	508341757	NXWARWWBHGJBRY-HNNXBMFYSA-N	410.315	5.148	30	20	HKED	
C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC(OC2CCCC2)CC1	508505727	OBCVSVVRWYXDEI-UHFFFAOYSA-N	416.569	5.136	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(C)cc3)no2)nnc1-c1ccccc1OC	508868671	FZTKVPHIJXIIFJ-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(c2ncccc2Cl)CC1	508938191	HOMDYLFILUMJAA-UHFFFAOYSA-N	418.932	5.045	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	509670583	ZKUXDWCXEHFDRT-NSHDSACASA-N	401.463	5.079	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1	510519776	JBUASVQQXDDRSH-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1cccs1)C1CC1	510539073	OZJAMSLCLDJLNN-JOCHJYFZSA-N	403.507	5.993	30	20	HKED	
CCOc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510873741	XCZPISWSMJLPJQ-UHFFFAOYSA-N	401.466	5.379	30	20	HKED	
F[C@@H](c1ccc(C(F)(F)F)cc1)c1noc(C[C@H](c2ccccc2)C(F)(F)F)n1	512056527	IXRYWSFZAVRWLW-ZBFHGGJFSA-N	418.312	6.036	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@]4(CC=CCC4)C3)cc2F)c1	512548338	AQQKZRFQIRTNMW-VWLOTQADSA-N	419.500	5.631	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2nc(C)cs2)cc1	513691481	DICGTGVINCELQD-FQEVSTJZSA-N	412.518	5.162	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2	516112005	NVJGCBBLLQOOMS-UHFFFAOYSA-N	418.537	5.197	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1-c1cccc(Cl)c1	517302816	DGMJVHMSQNDFHD-UHFFFAOYSA-N	410.930	5.289	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccccc1Br	517447903	WKTVJYHGXVYSOG-ZDUSSCGKSA-N	421.385	5.432	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3ccccc3SCCC#N)c(C)c2c1	518121048	ZIQXFCVXLBUFOC-UHFFFAOYSA-N	406.507	5.521	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccco1	519451282	XGSNULGSJAZIBV-WMZOPIPTSA-N	401.532	5.067	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1	521752216	UGVNAXGETJSRDC-RBUKOAKNSA-N	402.416	5.154	30	20	HKED	
CCC[C@@H](C#N)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1	522589733	LBSHPGYOQNBGHM-LBPRGKRZSA-N	421.353	5.183	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccc([N+](=O)[O-])c1	522633148	FDISFLRBGIWDGA-AWEZNQCLSA-N	421.840	5.403	30	20	HKED	
COc1cc(C[S@](=O)[C@@H](C)c2ccccc2F)ccc1OCc1cccc(C#N)c1	522662355	MWTMZNYCGBGHHG-ZOKDDAQRSA-N	423.509	5.295	30	20	HKED	
CCCN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H](C)c1ccccc1OC	523594425	OKNCHIUUQSCFRP-FQEVSTJZSA-N	413.521	5.495	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ncccc1C)C(C)C	523786849	KNVKNLLNVKIXQA-HSZRJFAPSA-N	414.509	5.881	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)c1cccs1	523991551	GKZZEAGAMBVRLO-JOCHJYFZSA-N	403.551	5.524	30	20	HKED	
CC(C)(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc2c(c1)OCCO2	524711805	MINZWXLWPVPIJV-UHFFFAOYSA-N	414.461	5.038	30	20	HKED	
Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2c(F)cc(C#N)cc2F)s1	531505170	PQQOVGKRHPZVPT-UHFFFAOYSA-N	403.841	5.098	30	20	HKED	
CC(C)CN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1	532933430	XJJYWXCFGIKBGY-UHFFFAOYSA-N	404.341	5.352	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cc(Cl)cc(Cl)c1	533240836	GNHRRNUKONKODC-CQSZACIVSA-N	422.381	5.458	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1Cl	534139821	KSYKEAPMVAFZSE-UHFFFAOYSA-N	414.852	5.014	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1	539050558	MBXNTHDOYLEVNK-QRWLVFNGSA-N	401.436	5.039	30	20	HKED	
CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	541097191	PZMWJWSUXNZCOQ-QGZVFWFLSA-N	412.493	5.091	30	20	HKED	
CCCc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cnn1C1CCCC1	543129426	MHIWBDTYYKVSRR-SFHVURJKSA-N	405.329	5.252	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)Nc3sc(C)c(C)c3C#N)s2)cc1	544490568	XXWGLKPORYJOTJ-CQSZACIVSA-N	424.595	5.266	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(CSc3ccc(F)cc3)no2)c2ccccc21	546936805	WRDNNFPOBBTQKU-IZZDOVSWSA-N	404.470	5.540	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Oc3ccncc3)n2)cc1	549484191	ZCGMYNNTKLZMBJ-HXUWFJFHSA-N	411.486	5.796	30	20	HKED	
C[C@@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)c(F)c1	551574981	ZCWPRQPWSDQLOW-SZNDQCEHSA-N	406.423	5.535	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1OC	553162596	DQBGMBJQGDEHFB-HXUWFJFHSA-N	420.896	5.573	30	20	HKED	
CSc1cccc([C@H](NCc2cnc3ccc(C#N)cn23)c2ccc(F)c(F)c2)c1	560260718	YKWUHXQDUWDOLT-QHCPKHFHSA-N	420.488	5.085	30	20	HKED	
Cc1ccccc1C1(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCCC1	567410390	NLYUFKLUQVVQRU-UHFFFAOYSA-N	415.537	5.029	30	20	HKED	
FC(F)C(F)(F)COCc1cccc(NCc2cscc2C(F)(F)F)c1	578404144	HSCLCHIDUIEOLG-UHFFFAOYSA-N	401.347	5.796	30	20	HKED	
CC(C)(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)cc(C#N)c1	586075742	XNRMVOQUCHVFPI-CHWSQXEVSA-N	424.360	5.001	30	20	HKED	
Cc1cc(C)c2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)sc2n1	603738440	CNGMEZWSZLCAJS-UHFFFAOYSA-N	414.490	5.533	30	20	HKED	
Cc1ccnc2sc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c(C)c12	603991892	FVSYFRYEVZCDCP-UHFFFAOYSA-N	415.543	5.864	30	20	HKED	
CC1(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1ccccc1	604360873	IWVXFIFNUXDDQV-HXUWFJFHSA-N	402.523	5.221	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nn(-c2ccccc2)cc1C	606778160	PAZVKDWWUHQGSP-UHFFFAOYSA-N	401.388	5.017	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCc2ccc(F)cc21	609322909	SPDCWPSHCMRHOE-XMMPIXPASA-N	415.468	5.394	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCSC[C@@H]2c2ccccc2)cc1	609682934	GWSVBNVCPCRIEF-JOCHJYFZSA-N	415.518	5.673	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1	609960295	NNLQFALJLFDUKZ-AWEZNQCLSA-N	416.472	5.070	30	20	HKED	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	610321935	UVAMSHKKGNPPDI-AOYPEHQESA-N	411.505	5.183	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccccc3SCC(F)(F)F)CC2)cc1	611245453	ZFIQQGZMQAZCIM-UHFFFAOYSA-N	417.456	5.534	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	619427821	YJTYBXUGXUKDLW-FICVDOATSA-N	406.370	5.127	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc2ccccc2o1	619753913	HQMRFODDHUTXNU-LJQANCHMSA-N	402.837	5.550	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(-c2ccccc2F)on1	642230388	RICRPZCLWAQVIP-UWVGGRQHSA-N	424.316	5.120	30	20	HKED	
Fc1ccc([C@@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccn2)cc1	680336543	IQUJSZOGJARIPW-YQYZPQCESA-N	420.372	5.809	30	20	HKED	
Fc1cccc(Br)c1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684367583	RUEBGLAOJSPHAS-RKDXNWHRSA-N	422.182	5.587	30	20	HKED	
COc1ccc(C(C)=NNc2ccc(C#N)c(C(F)(F)F)c2)cc1CN1CCCC1	726426141	QEFUTENHCRUTJS-UHFFFAOYSA-N	416.447	5.018	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3C(F)(F)F)n2)cc1	729888399	KTCIBCMEBLRYCR-MRXNPFEDSA-N	400.425	5.556	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2ccccc2s1	730394964	OYCLTJZCFAQATL-XMSQKQJNSA-N	418.518	6.145	30	20	HKED	
N#C[C@H](C(=O)CN1CCc2ccccc2[C@@H]1c1ccccc1)c1nc2ccccc2s1	731033052	MPIONKDAYVUZFF-BWKNWUBXSA-N	423.541	5.120	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@@H]1CCCc2ccccc21	731096288	CKEPQBAFSPOWIS-HKUYNNGSSA-N	422.550	5.073	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)n2)cc1	731289351	XAFJXYGGMQYFIF-XPWALMASSA-N	424.525	5.952	30	20	HKED	
CC(C)(C)OC(=O)NC1CCC(=NNc2nc(Cl)c(Cl)cc2Cl)CC1	731924181	WFTYBDBFFKIOBS-UHFFFAOYSA-N	407.729	5.277	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCC(=O)Nc3cccc4ccccc34)c2)c1	732231060	FAIZMRZFORQGNH-UHFFFAOYSA-N	421.500	5.019	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2cc(Cl)cc(Cl)c2)ccc1OC	733210475	BAHFJWNQJGWRNI-INIZCTEOSA-N	424.353	5.170	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2cc3ccccc3s2)ccc1OC	733648307	NXQPRRJWGDPUQJ-QAPCUYQASA-N	423.538	5.151	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](CC2CCCCC2)C(C)C)ccc1OC	734327518	ZFAITECURLTTON-RTWAWAEBSA-N	400.563	5.235	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccncc1	734660175	MBMTZZIJLBEMII-HTAPYJJXSA-N	405.473	5.691	30	20	HKED	
CCc1ccc([C@H](C)NC(=O)[C@H](C)SCc2cc(Cl)ccc2OCC#N)cc1	735318947	SFHSVHXQUDLJQA-HOTGVXAUSA-N	416.974	5.304	30	20	HKED	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	735869259	OBCLSTHVRJPAFH-UHFFFAOYSA-N	401.466	5.500	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c2ccc(C(C)C)cc2)cc1Cl	739155442	QNJGSDVDBPUTAQ-KXBFYZLASA-N	412.917	5.313	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1	739155751	UXRPZJVBBXODOJ-JPYJTQIMSA-N	404.554	5.776	30	20	HKED	
C=C(Br)CNC(=O)c1oc2ccccc2c1CSc1cccs1	742382115	FWKCNTFCHPZHHF-UHFFFAOYSA-N	408.342	5.425	30	20	HKED	
CCN(CCC#N)Cn1nc(-c2ccc(Cl)cc2Cl)n(CC(C)C)c1=S	742540792	ZSLOXWGPAQQSSS-UHFFFAOYSA-N	412.390	5.237	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)OC(C)(C)C	742657017	KLGJOOLIWXZBJG-NRFANRHFSA-N	421.541	5.634	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C/c2ccc(C#N)o2)SC1=S	743282473	NIUNAPCHZHCTCU-KIKKFWRUSA-N	409.319	5.420	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1	743610311	CIKOUIUJNDAMME-BDRMCPCVSA-N	411.933	5.217	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCSc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	744034672	JTVALBZRRJTVDJ-SJORKVTESA-N	410.951	5.919	30	20	HKED	
CSc1cccc([C@@H](NC(=O)c2ccccc2OCC#N)c2ccc(F)c(F)c2)c1	744373316	VPEVNYGPWCRTOX-JOCHJYFZSA-N	424.472	5.108	30	20	HKED	
O=C(O)CCOc1cccc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)c1	746683728	OLGCNXDSARIHAB-DHZHZOJOSA-N	412.388	5.191	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1	747230160	VTXAJWLBRQPJGM-FQEVSTJZSA-N	417.419	5.731	30	20	HKED	
CC(=O)N[C@@H](C)CCc1ccc(-c2csc(NN=C(C)c3ccccc3)n2)cc1	749263477	UEDPIGNEYARFPD-INIZCTEOSA-N	406.555	5.103	30	20	HKED	
N#C[C@@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc2cc(F)ccc2s1	751839958	PDCKIKJGMDVHRZ-SRQXKTMQSA-N	422.447	5.761	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)CCCc2csc3ccccc23)ccc1OC	755319562	UNMCCTODFJLGFR-LJQANCHMSA-N	422.550	5.230	30	20	HKED	
N#CC(CCOC(=O)c1csc([C@H]2CCCO2)n1)(c1ccccc1)c1ccccc1	756456894	ANPXHORBGGVICJ-OAQYLSRUSA-N	418.518	5.051	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2/Cc3c(Cl)cc(Br)cc3C2=O)cc1	759089649	IBTLTWRJZXUBNA-RYPVXOHGSA-N	402.675	5.216	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	763470503	RNNWPZUURHETPW-RLLQIKCJSA-N	421.541	5.084	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	764459380	OPDIMOVWCSRZOK-UPVQGACJSA-N	424.548	5.574	30	20	HKED	
O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccc(C(F)(F)F)cn1	764904719	XLBJMFWIXXARHD-UHFFFAOYSA-N	421.190	5.033	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(F)cc3C(F)(F)F)c2)s1	768146203	OPSXCXAZPUKLCV-UHFFFAOYSA-N	404.388	5.375	30	20	HKED	
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	770110104	IZQACVFVEMVATH-HNAYVOBHSA-N	417.843	5.365	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)C=C3CCSCC3)s2)c(C(F)(F)F)c1	772233522	WHGIDSZWXZVLDD-UHFFFAOYSA-N	423.485	5.016	30	20	HKED	
N#C[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1Cl	772666728	MYSCWZGPCZVGDD-HUUCEWRRSA-N	418.107	5.105	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C)c(-c3ccccc3)[nH]2)cc1	777587879	NUVMHQOJFOGXED-GOSISDBHSA-N	404.539	5.121	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1	780148815	MTODAEUQYGEAGO-AOMKIAJQSA-N	406.482	5.589	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1	781551957	PBKJNEVRJSXNKH-SEYXRHQNSA-N	407.901	5.056	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cc(Br)cs2)cc1OCCCC#N	782370065	ROUWMZAXNZFXDA-GQCTYLIASA-N	406.301	5.098	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1Cl	792354110	FWLNNAVBLPNXSD-GFCCVEGCSA-N	422.710	5.057	30	20	HKED	
COc1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1F	796902407	DLJDDLSIQLSDGN-CYBMUJFWSA-N	416.424	5.045	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC(F)(F)CC3)cc2Cl)c1	797623155	KJLYTFZPBOWAKI-UHFFFAOYSA-N	405.832	5.054	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1	800578076	LHAYQBOCDNEAES-JOCHJYFZSA-N	406.551	5.634	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nc2cc(Cl)ccc2s1	810536635	QZYGEWNXAWQESD-TZMCWYRMSA-N	416.333	5.306	30	20	HKED	
C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1	811859729	ZDQYSKRDHWLWNW-SBUREZEXSA-N	419.912	5.049	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F	812918707	CCKASVGPAZADGU-HBMCJLEFSA-N	415.459	5.927	30	20	HKED	
N#C[C@@]1(c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)CC2CCC1CC2	904476119	CHSHIWFUUGQIIY-ZPZJFZDTSA-N	409.493	5.106	30	20	HKED	
CCn1c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc2ccccc21	915351866	HJLGLCNIFPFNAW-OAQYLSRUSA-N	409.493	5.033	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F	915353307	MSVFTIDSKCYICM-IERDGZPVSA-N	421.447	5.826	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1-n1cccc1	916928909	YFPOLQUWQAXQCC-INIZCTEOSA-N	412.276	5.054	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976525	QZOAPSHHOYQHSI-QGZVFWFLSA-N	414.889	5.636	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2csc(Br)c2)cc1OC	917396627	DACMKWMJELVGCZ-UHFFFAOYSA-N	404.713	5.122	30	20	HKED	
CC(=NOCC(=O)Nc1c(F)cccc1F)c1ccc(-c2ccc(F)cc2)s1	917402594	AFQFRRDLBHSOJY-UHFFFAOYSA-N	404.413	5.212	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc([N+](=O)[O-])cc1	918713022	INQIHKXPSSPFFI-YFHOEESVSA-N	404.369	5.633	30	20	HKED	
Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C(C)C	920141044	GVANHLAUNOLTMZ-OAQYLSRUSA-N	415.518	5.369	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(F)cc4)CCCC3)n2)cc1	920143566	RLXZYXFZVZQCJD-HXUWFJFHSA-N	420.509	5.646	30	20	HKED	
CC(=O)N(c1nc(C=NNc2cccc(Cl)c2F)cs1)c1ccc(F)cc1F	921137863	PTGPUPGJLZNTRG-UHFFFAOYSA-N	424.835	5.344	30	20	HKED	
N#Cc1ccc(OCCOC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1	921223806	PCSXHLSFMWSTHY-UHFFFAOYSA-N	419.289	5.224	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1	1787335653	XVXZNQRRTVMAQW-FQEVSTJZSA-N	423.582	5.276	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)on3)CCC2)cc1	1789451592	MPWILCAUPBCZFZ-HXUWFJFHSA-N	421.541	5.314	30	20	HKED	
C=CCn1c(SCC(=O)c2cc(C)c(C)c(C)c2C)nnc1-c1ccccc1OC	6076716	JUIVKUNANOFPLW-UHFFFAOYSA-N	421.566	5.348	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)s1	22693415	LJXPQYRQZMBIOZ-UHFFFAOYSA-O	419.551	5.254	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(COCc2ccco2)c1	56630593	WEHKFMCEACKDFK-UHFFFAOYSA-N	406.482	5.225	30	20	HKED	
N#Cc1c(NC(=O)CCN(Cc2ccccc2)Cc2ccco2)sc2c1CCCC2	69245106	PRGJLQHWXXGNEE-UHFFFAOYSA-N	419.550	5.123	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12	78720078	CQJOBTLOZCTEJV-INIZCTEOSA-N	413.502	6.141	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	109910427	PXJPIZCSVZKMAY-JSGCOSHPSA-N	422.260	5.472	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	303129705	BRRYZDJWDFBGNT-IAGOWNOFSA-N	405.281	5.220	30	20	HKED	
Cc1c(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cccc1-c1ncco1	427443776	WTMVSXOAKXLBRG-OAHLLOKOSA-N	420.538	5.291	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c2ccccc21	428473652	NUGPJQGYYDBLDR-UHFFFAOYSA-N	421.407	5.185	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C	428786786	ITOHDVANKDMVCT-VWNXMTODSA-N	419.569	6.004	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1F	431334378	YGWJJJXYMJOOCX-AUUYWEPGSA-N	418.310	5.384	30	20	HKED	
Cc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(OC[C@H]2CCCO2)c1	432760408	UEYZDFIJPOCLGR-RTWAWAEBSA-N	407.514	5.110	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1)c1ccccc1	435765377	VPQBLUFBDMWYJN-RUZDIDTESA-N	414.553	5.513	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)n1	438118413	XRMZNMJCNIQCNN-NHCUHLMSSA-N	402.523	5.422	30	20	HKED	
CCOCc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	438855441	UYEMMRMUWBKMQH-UHFFFAOYSA-N	417.484	5.468	30	20	HKED	
N#C[C@H](C(=O)c1ccncc1Oc1ccccc1)c1nc2cc(Cl)ccc2s1	442527950	MZFXDQPMTRMVBW-MRXNPFEDSA-N	405.866	5.627	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)cs1	442861860	YZWLDKBBFOKMFU-QGZVFWFLSA-N	402.504	5.127	30	20	HKED	
COc1ccc(SCCCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	444003683	OJCSJQMKFSDOQG-MRXNPFEDSA-N	400.569	5.600	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]3c3ccccc3C(F)(F)F)o2)cc1	445994855	XLUHBKLFCYOWHF-IEBWSBKVSA-N	412.415	5.053	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	446224016	DAEJEJGGMCRYEO-FQEVSTJZSA-N	419.447	5.430	30	20	HKED	
Cc1c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cccc1C(=O)Nc1ccccc1	447440731	LNMDCDHQMZJBNM-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1	447987031	DGRJMFGSDNOVKY-KRWDZBQOSA-N	417.509	5.075	30	20	HKED	
C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]1c1ccc(Br)s1	460929590	CMKMGTHNEMSDOI-CQSZACIVSA-N	418.364	5.015	30	20	HKED	
FC(F)Oc1ccccc1[C@H](NCc1cncc(C(F)(F)F)c1)C(F)(F)F	463160605	KPHHOUOTWZXVHP-ZDUSSCGKSA-N	400.269	5.095	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)c1ccc(Br)s1	463761123	UBWONZSPEJLLIE-DOMZBBRYSA-N	405.361	5.293	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(COc3ccccc3C#N)o2)o1	464896965	UWYIZWLUCDXFLO-UZLBHIALSA-N	404.466	5.245	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)c3cccc(COc4ccccc4C#N)c3)co2)cc1	465199501	XVYIPUYVXNTMAU-UHFFFAOYSA-N	423.472	5.031	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1F	466653043	CNDVIBUZVCMZGJ-UGSOOPFHSA-N	420.257	5.031	30	20	HKED	
CC(C)(NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	467620214	VSUPZYSVUIZQPL-UHFFFAOYSA-N	415.334	5.377	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	468005602	PYXCVVWYYXTAQU-QRTLGDNMSA-N	422.291	5.291	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(F)cc(F)c1Br	468280222	GNJWNZWBYIAXAS-UHFFFAOYSA-N	413.221	5.518	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(OC(F)F)c(Cl)c3)ccc21	469011073	PYVZVBSKKKYCDH-UHFFFAOYSA-N	419.859	5.136	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCOCC1	470025806	ALGNMBMRYILOBF-IRLDBZIGSA-N	411.933	5.322	30	20	HKED	
N#C[C@H](NC(=O)CCc1cnc2ccccc2c1)c1ccc(OCc2ccccc2)cc1	471086055	LHFGNSQQOWURSU-SANMLTNESA-N	421.500	5.127	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	473659291	KBLUYTVUWRSOCM-SUMWQHHRSA-N	420.365	5.605	30	20	HKED	
N#CCCn1ccc(NC(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)n1	473829112	MNPQJYFPCWFTHW-UHFFFAOYSA-N	414.296	5.092	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1	475543566	DVHNCMCPIVCDEB-KRWDZBQOSA-N	414.550	5.319	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1	477446323	KEYMVDCJMKFOHZ-MSOLQXFVSA-N	411.546	5.879	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	480947767	AMKWXDATKISFBT-HNNXBMFYSA-N	409.902	5.074	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1	481211209	XOOBLIWINGDRTP-UHFFFAOYSA-N	420.962	5.488	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1c(-c2c(Cl)cccc2OC)noc1C	483123126	SWOLLEBTLVYVTE-UHFFFAOYSA-N	402.903	5.202	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nccc2ccccc12	483242901	XYSSDZLBUSEXQP-HNNXBMFYSA-N	424.357	5.068	30	20	HKED	
N#CCCn1cc(CNc2ccc(Oc3ccccc3F)nc2)c(-c2ccccc2)n1	485973421	CDIBSDIYWUCCLA-UHFFFAOYSA-N	413.456	5.402	30	20	HKED	
CCCS(=O)(=O)Nc1cccc(NCc2ccc(-c3ccccc3C#N)cc2)c1C	486118013	HNXFYHQMSWCMGE-UHFFFAOYSA-N	419.550	5.298	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1	486223197	IOPQIMQWYFJHQF-UHFFFAOYSA-N	423.582	5.032	30	20	HKED	
CSc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1[N+](=O)[O-]	486404196	HFRQMSIZGFFQAB-UHFFFAOYSA-N	423.425	5.372	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc12	486568332	RVXDQBHZMLEWSR-UHFFFAOYSA-N	410.587	5.083	30	20	HKED	
Cc1ccc(-c2nnc(SCc3cc(C#N)ccc3Br)o2)c(C)c1	492061682	LPDPEYHKBKICHM-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1cccc(Br)c1	499725735	NPMMLOUGGIPNBE-CYBMUJFWSA-N	421.385	5.574	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1	504020450	OSFQJXCEUKOMKE-GOSISDBHSA-N	401.441	5.511	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(Cl)c1Cl	505307469	FVFBTNOYDBUQHR-OAHLLOKOSA-N	401.215	5.483	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1	505468603	VNQQIGKDYCZPRS-MRXNPFEDSA-N	417.412	5.263	30	20	HKED	
C=CCOc1c(Br)cc(CN(C)[C@@H](C)c2ccccn2)cc1OCC	508618893	DUGSQKCNVUCJEY-HNNXBMFYSA-N	405.336	5.001	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	509997898	LHKIGIXFFHLRGF-CYBMUJFWSA-N	412.852	5.443	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510180706	MKXYVRSXZBLOQV-GOSISDBHSA-N	415.562	6.171	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccco2)s1)c1nc(-c2c(F)cccc2F)cs1	510793084	BCRZFFXFJDITOR-SNVBAGLBSA-N	413.430	5.295	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@]4(CC=CCC4)C3)c2)cc1	512731990	YKTRRRSVBOIOPZ-SANMLTNESA-N	415.537	5.686	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	512943786	TXGSBOITQIMVEV-CQSZACIVSA-N	424.551	5.050	30	20	HKED	
COc1ccc(-c2cc(NC(=O)N(C[C@@H](C)C#N)C3CC3)ccc2OC(F)F)cc1	513899252	YZCBNCJICAFTME-AWEZNQCLSA-N	415.440	5.120	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc(-c2ccncc2)cs1	516332185	BLJUAIKAHJOQQE-OAQYLSRUSA-N	411.486	5.274	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)cc2)cc1	517364250	DYMSXXAEOXKAHJ-UHFFFAOYSA-N	404.376	5.417	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(Cc3cscn3)c3ccccc3)o2)cc1	517485769	WKXLLLRGYULHMI-UHFFFAOYSA-N	415.474	5.034	30	20	HKED	
COCCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c2ccccc21	517793018	BZUKCUWNMBGQCM-IBGZPJMESA-N	415.518	5.210	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)C2CCCCC2)cc1Cl	517896680	OBSVYWDMAKWWBF-IRLDBZIGSA-N	411.933	5.058	30	20	HKED	
Cc1noc(CSc2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)n1	518667568	DULYKIMOFGYTMI-CQSZACIVSA-N	424.551	5.174	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Nc2ccc(CC#N)cc2)cc1	519991030	KPMLILQKOOIWJQ-QHCPKHFHSA-N	403.457	5.006	30	20	HKED	
CC(C)CN(Cc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	520174732	XDYGHXYWZGBQAQ-UHFFFAOYSA-N	404.539	5.296	30	20	HKED	
N#CC1(c2ccccn2)CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1	520612813	VNOQPAXSOZJQNF-UHFFFAOYSA-N	414.456	5.286	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCc1ccc(Cl)c(Cl)c1	520828799	ZKFRZXOBOJOUAO-CQSZACIVSA-N	407.366	6.207	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1	520855656	WQPCJNIAIKQYAF-KXBFYZLASA-N	415.946	5.197	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)cs1	524767468	XHHDGGFLQFWHOZ-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
CCc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	525844253	CGYDYIXCJAHKHM-OAQYLSRUSA-N	417.896	5.135	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CCCC[C@@H]1c1ccccc1C(F)(F)F	533049487	IKSUCQZLPPSSPA-QGZVFWFLSA-N	407.461	5.194	30	20	HKED	
C[C@H](C#N)CN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CC1	533142056	CMVQSOGNOJSLBJ-CYBMUJFWSA-N	416.308	5.010	30	20	HKED	
CC(C)(C)[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C(F)(F)F)c1	540403690	OSMHZQSXPRNDML-IBGZPJMESA-N	414.431	5.504	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	542979488	ZEJYWYJRPOVVQB-HZPDHXFCSA-N	404.539	5.366	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cccs2)o1)c1nc(O)c2c3c(sc2n1)CCCC3	543058702	LBPNLWAOFLIPRM-GFCCVEGCSA-N	421.503	5.087	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1	544251472	WLRTVMOTQNUEAN-CLOONOSVSA-N	411.505	5.105	30	20	HKED	
Cc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)ccc1OC1CCOCC1	551337268	BRKQCWYGXWWUKL-UHFFFAOYSA-N	406.507	5.200	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3ccccc3COCc3ccccc3)CC2)cc1	552049959	LANWWLYZPXCVSI-UHFFFAOYSA-N	411.549	5.034	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)ccc1OC1CCCC1	552618589	GGPOHZUVEVPWOC-KRWDZBQOSA-N	419.308	5.318	30	20	HKED	
CCN(CC)Cc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	553063515	ZYFGZKLAKBLZRD-SFHVURJKSA-N	410.587	5.102	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C	553437227	QANKXBRXOXMARE-UHFFFAOYSA-N	416.591	5.037	30	20	HKED	
Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	554399966	MMDJIACXXKAOBR-CTNGQTDRSA-N	419.916	5.002	30	20	HKED	
Cc1cccc2nc(C3CCN(c4c(C#N)cnc5c(F)c(F)c(F)cc45)CC3)oc12	557654957	PLZXNXVMLDDTEP-UHFFFAOYSA-N	422.410	5.357	30	20	HKED	
N#Cc1cc(Br)ccc1CNc1ccc(C(=O)Nc2ccccc2)cc1	573135254	LBNJWKYSUWTZJJ-UHFFFAOYSA-N	406.283	5.185	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	604129627	NJHRYTBVMYJITK-JOCHJYFZSA-N	407.876	5.282	30	20	HKED	
Cc1ccc(-c2nsc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)s1	608944884	NXLQZPJOYBKTSB-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1	609066395	BDHYGNFHGAHLIW-UHFFFAOYSA-N	411.842	5.250	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccco1	609209736	KEAPOKQXQNWPBK-JOCHJYFZSA-N	419.481	5.479	30	20	HKED	
Cc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1	609433834	LRDSKRIIICAAQW-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H]2c2cccnc2)c1	609729799	QKBYQZLTFBBIMI-OAQYLSRUSA-N	403.869	5.376	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	609989585	MSPFTEYKHXGCBY-SJCJKPOMSA-N	414.349	5.284	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	610053763	NEHLSFNNVWSDER-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cn2)c1	610629314	BAWYBBURFJUCFR-GOTSBHOMSA-N	423.476	5.049	30	20	HKED	
COc1ccc(C(NCc2ccccc2C(C)(C)C#N)c2ccc(OC)cc2)cc1	610855980	CJNPTIGQFBWRSH-UHFFFAOYSA-N	400.522	5.384	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc(-c2ccccc2)cs1	613392201	LPXJNBYTJLXXEM-INIZCTEOSA-N	421.934	6.077	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1	613392479	QBAYGIRGFYACCB-INIZCTEOSA-N	421.934	6.077	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1	614396668	CBIQAICELOUQSX-OAHLLOKOSA-N	411.962	5.016	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1	614401769	GKWSQXFWGSUWGK-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1	615692602	AILWGTKNHDCHCB-GOSISDBHSA-N	414.521	5.328	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)s1	642282335	FMDPEESVCCJADV-CQSZACIVSA-N	408.433	5.353	30	20	HKED	
CSc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	677998806	AKBMJRSLOUUKCA-URLYPYJESA-N	403.363	5.187	30	20	HKED	
O=C1/C(=C/c2ccccc2OCc2cccnc2)Cc2c(F)cc(Br)cc21	727780413	NGWHFQSPOYVFMV-LZYBPNLTSA-N	424.269	5.385	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1	728768326	AQYUKCZDFLIRPT-AWEZNQCLSA-N	400.425	5.381	30	20	HKED	
C[C@@H](CC#N)N(C)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S	728905061	WXMQSLSJMWHJRJ-HNNXBMFYSA-N	411.556	5.401	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	729069967	JRQMMSNKRMRNRY-CJNGLKHVSA-N	402.441	6.075	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(O)cc4F)c23)cc1	729932884	RGVDURHJSODUGQ-UHFFFAOYSA-N	408.458	5.048	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Br)c2O)cc1	730276801	RUQVWRCNNQJWJP-SFHVURJKSA-N	407.267	5.062	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2s1	730686360	OICVHWYFIKMDSG-KSFYIVLOSA-N	420.440	5.571	30	20	HKED	
C#Cc1ccc(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C(C)C)ccc2C)nc1	741977404	HVHOPTPNRQFJLJ-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	743147104	PBARPDFCKGNTMN-MOPGFXCFSA-N	408.571	5.180	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)c1	744027303	PKLOMAPPCVKQRY-FQEVSTJZSA-N	416.477	5.214	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030533	HDTBETUCOLLZMN-CYBMUJFWSA-N	422.337	5.377	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037882	HJQTZDJHGPLJLM-WFASDCNBSA-N	420.431	5.899	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038388	SMDHIPNROFTKSG-OCCSQVGLSA-N	421.369	5.820	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1C(F)(F)F	744118926	NVLXSFPXJXXHJD-BXUZGUMPSA-N	406.404	5.824	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(-n2cccn2)c1	745934666	ZTSHIQNMHUCNPR-CLOONOSVSA-N	421.504	5.410	30	20	HKED	
O=C(COc1ccc(F)cc1F)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746436471	GXQZRSAAQKEZOL-HNNXBMFYSA-N	414.248	5.209	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(Oc3ccccc3)c2)cc1	749170465	HTMNVCPQARFLCS-XMMPIXPASA-N	405.457	5.782	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(C#N)c1	749349185	BOMQGFCALHXBQP-UHFFFAOYSA-N	419.403	5.105	30	20	HKED	
C[C@@H](ON=Cc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1C(F)(F)F	749507903	HLMSDQCCGNSDOU-SNVBAGLBSA-N	405.203	5.390	30	20	HKED	
O=C(O)CCOc1ccc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cc1	750916999	QPEAQIKWSUGPLY-RVDMUPIBSA-N	404.434	5.067	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1scnc1Br	754166910	OXHOQFFZVUNGPS-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](OC(C)(C)C)c3ccccc3)n2)cc1	754528212	HZOYJYIYEIREFO-SIKLNZKXSA-N	420.534	5.551	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1csc([C@H]2CCCO2)n1	756487762	KJOXTEJIADUULE-GOSISDBHSA-N	415.584	5.385	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3cc(-c4ccccc4)ccc3Cl)CCO2)c1	762299024	QMKVFLFGMHXNFC-HSZRJFAPSA-N	402.881	5.092	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)OCc2ccccc2C(C)(C)C#N)c1	772112785	IROHBPKDMLXHMM-UHFFFAOYSA-N	408.498	5.121	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)ccc1OC	774234794	DNDKGDRHDJAPIA-GXTWGEPZSA-N	409.313	5.239	30	20	HKED	
CC(C)CCOc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777113807	FLGGUZWWNFDFEM-IBGZPJMESA-N	407.558	5.117	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1)c1ccncc1	786768225	NLSUZTGGRWGYLP-IFXJQAMLSA-N	408.329	5.115	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2cc(Br)c(Cl)s2)c2ncc[nH]2)c1	790220676	ZYVQGNZJWCAWBS-JYRVWZFOSA-N	423.719	5.319	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nccc3ccccc23)cc1C	792104827	RSYCPHUEWQFWAI-NRFANRHFSA-N	412.518	5.006	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nccc2ccccc12	792104912	SIQOIRBMGXGRJF-DEOSSOPVSA-N	404.469	5.741	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)NCCCCC(F)(F)F	794977814	LXVPRULZFPWYOV-UHFFFAOYSA-N	421.488	5.465	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc21	798394911	SAZXNHLOAIJJTP-LJQANCHMSA-N	416.431	5.419	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ccc(Cl)cc3[N+](=O)[O-])cc2F)c1	864010448	ANGXXXGWOPIRGC-UHFFFAOYSA-N	411.820	5.450	30	20	HKED	
N#Cc1cc(-c2nc(-c3ccc(COc4ccccc4)cc3)no2)cnc1C(F)(F)F	904444711	BSUGNUIISFDDLJ-UHFFFAOYSA-N	422.366	5.268	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)/C=C/c1ccc(Br)o1	914515581	XGICDVNBRGATLN-ACCUITESSA-N	407.267	5.160	30	20	HKED	
CC(=O)N(c1nc(C=NNc2ccc(Cl)cc2)cs1)c1ccc(F)cc1F	916246926	PMLFCDXVACHJNB-UHFFFAOYSA-N	406.845	5.205	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1	916912312	JACRLKVCBKCLPV-MRXNPFEDSA-N	404.516	5.640	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2)CCC1	1790876357	NVEPSYCTDKRJBC-UHFFFAOYSA-N	419.550	5.171	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1	1823915172	BGGGFJXQYZYTKU-VGSWGCGISA-N	416.993	5.094	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828410698	YTTWFLOPXGQMTA-NRFANRHFSA-N	420.613	5.271	30	20	HKED	
Cc1sc2ncnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)c2c1C	6113436	SFNGRLXXRZYSBM-UHFFFAOYSA-N	416.959	5.001	30	20	HKED	
O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1cccc(O)c1)c1ccc(Cl)s1	10826180	NIHOQJWEYCZVRA-UHFFFAOYSA-O	424.354	5.099	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c12	32290041	RVOZXEUWHCAKLX-UHFFFAOYSA-N	424.460	5.112	30	20	HKED	
CCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC	41537409	LQOPSPFNBAJLAX-OAHLLOKOSA-N	412.898	5.361	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1	46668195	VTHIHKNSXFDRFY-HNNXBMFYSA-N	407.857	5.113	30	20	HKED	
CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21	48161707	NTUUNHAYYQDUOT-RUZDIDTESA-N	411.505	5.483	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	55327250	FGWZGHVOFSIGHM-UHFFFAOYSA-N	415.497	5.135	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)Cc1ccccc1F	58922165	RSTOWLOTVVYBFA-UHFFFAOYSA-N	413.493	5.294	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N(C)c2cccc(C#N)c2)c2cnn(C(C)C)c2n1	63326122	WVIZRTJHWJTGCN-UHFFFAOYSA-N	409.493	5.136	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	63950616	OOPYEVGYLYJWHG-UHFFFAOYSA-N	417.468	5.730	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(F)cc4[nH]c(=S)[nH]c34)c2)c1	97508160	GUNLXRDUQPFTKC-UHFFFAOYSA-N	418.453	5.068	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1F	112518531	XWIAPWCJQTZAQH-UHFFFAOYSA-N	416.399	6.120	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(-c2ccccc2F)n1Cc1ccccc1	112529939	HZSADYZTWZVKPT-UHFFFAOYSA-N	418.472	5.436	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C#N)cc3)c3ccccc3C2=O)c1	208270324	HPYIAWPMCGPFSE-LSPPGFKNSA-N	408.457	5.014	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNc2ccc3nnc(-c4ccsc4)n3n2)cc1	302355959	BKEFHXANUWXWQL-UHFFFAOYSA-N	408.490	5.004	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1	303472005	NGYBIMQBNHJNOF-UHFFFAOYSA-N	413.449	5.148	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)s2)cc1	303756806	BSQSRMXKHSOJPQ-HOTGVXAUSA-N	411.889	5.140	30	20	HKED	
C[C@H](C1CC1)n1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1	429111035	DCRKWZGPHKTMFW-QGZVFWFLSA-N	415.497	5.143	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4c(F)cccc4F)n3)n2)cc1	429373834	TUUWBJIWQMTNFJ-OAHLLOKOSA-N	420.444	5.073	30	20	HKED	
N#CCCC[C@@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1	431367730	DEZLGCIBRJZQNO-ILBGXUMGSA-N	418.585	5.023	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	433863152	DKABSORJOIXBCN-IVCWUUCSSA-N	404.476	5.446	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F	435198049	WJHJIUMAHQYASJ-UHFFFAOYSA-N	409.383	5.083	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)cc1	435718200	BTSRMNCTMBJKEC-UHFFFAOYSA-N	418.415	5.666	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC	440099843	QNBURQCHGPNPKF-UHFFFAOYSA-N	402.523	5.227	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(C[S@@](C)=O)c1)c1ccc(C(F)(F)F)cc1	441541720	KQJFNSQOTNLWSY-HMILPKGGSA-N	409.473	5.021	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)CC2)cc1	444031175	MPDUOWTXUFFLNN-UHFFFAOYSA-N	423.394	5.435	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)cc1	462923047	JYVAYXCWALQHPD-RCZVLFRGSA-N	412.489	5.195	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2o1	464475427	NGFDJHMELBNZOY-CYBMUJFWSA-N	423.188	5.408	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(C(C)(C)C)no1	464912656	PWJWCVZIRAJZHE-CYBMUJFWSA-N	424.888	5.175	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2CCC(F)(F)F)c(C#N)c(C)c1C	465147146	FDOJJPGAKDJACG-UHFFFAOYSA-N	407.461	5.104	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(COCc4ccccc4)cc3)on2)c1	469228882	KWCRXMILRWJCEQ-UHFFFAOYSA-N	409.445	5.182	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1	473787117	NFMXXNYFNASLEM-UHFFFAOYSA-N	408.864	5.489	30	20	HKED	
N#CC[C@@H](CC(=O)N(Cc1cc(Br)ccc1F)C1CC1)c1ccccc1	474703608	XGMZDUYKXXKZTE-INIZCTEOSA-N	415.306	5.167	30	20	HKED	
CN(c1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CCCC1	475025700	IWVXGXBKNRHBHM-JTHBVZDNSA-N	402.542	5.369	30	20	HKED	
CCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1C1CCCC1	475250583	XTWGCAVGORYWES-UHFFFAOYSA-N	414.509	5.264	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@H](CC#N)c1ccccc1	475455493	BJESULBZAAQLGX-AWEZNQCLSA-N	421.722	5.527	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1	476176779	ZCYDHENXVKJTLP-SFHVURJKSA-N	408.567	5.252	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)cs1	479923276	LWQOMBWSAHMEKA-INIZCTEOSA-N	413.550	5.242	30	20	HKED	
CCN(C(=O)c1sccc1C#N)[C@@H](c1cccnc1)c1csc2ccccc12	480968962	URRJDFUOMIZJJW-FQEVSTJZSA-N	403.532	5.481	30	20	HKED	
CCN(CCc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481621950	GZDOFGRNNGHAEK-UHFFFAOYSA-N	417.484	5.373	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccccc1SCCC#N	481817700	ZZDSCTMTYZYDLO-ZDUSSCGKSA-N	421.335	5.411	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	482435696	NBGULZNGJUIZNO-HNNXBMFYSA-N	420.403	5.351	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@H]43)cc2)nc1	485581044	IAKUAKUIYYQJMA-UBFVSLLYSA-N	423.516	5.544	30	20	HKED	
CC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)nc1C	485765593	XOOHBTLFWSZUIU-OAHLLOKOSA-N	409.555	5.238	30	20	HKED	
N#Cc1ccc(F)c(CNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1	486135520	ITNJGGWFKMUHJR-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3ccc4ccccc4n3)cc2)c1	486165614	NNNDAJVXWQHJLV-UHFFFAOYSA-N	407.473	5.257	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCc1ccc(C(=O)Nc2ccccc2)cc1	488767100	UXCFGKPSETWKDH-UHFFFAOYSA-N	413.424	5.517	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1cccs1	489407867	RETUCPSLZQRTHZ-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	490651057	PNNFCVKWMBOXCS-UHFFFAOYSA-N	420.321	5.195	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(F)c4ccccc4c3)n2)cc1	497366462	SQAZAZZKYJLVJI-LJQANCHMSA-N	402.450	5.601	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)COc3cccc4ccccc34)c2)cc1	501420884	ITLZNRVQZUNUSL-UHFFFAOYSA-N	422.484	5.502	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1	503490543	RNFOIANKEIDBRW-UHFFFAOYSA-N	422.488	5.132	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(OC(F)F)c1	506989194	VIQXSZXKYZPYLC-RDJZCZTQSA-N	405.832	5.245	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	511082188	MESPJMULRBGYQG-KDOFPFPSSA-N	407.539	5.126	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(C(=O)c3cccc(C#N)c3C)CC2)n1	511298833	WRMIPKRCCWBFII-UHFFFAOYSA-N	417.534	5.019	30	20	HKED	
COc1cccc([C@H](N[C@@H](C)c2ccc(C#N)cc2F)c2cc(F)ccc2OC)c1	512668783	WOTCJONCMSVMEN-OWJWWREXSA-N	408.448	5.294	30	20	HKED	
COc1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc2ccccc12	512964669	SVQMFWPBAXSEFF-AWEZNQCLSA-N	421.428	5.135	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	513852755	MFPSOZLCWAXWMZ-CYBMUJFWSA-N	409.873	5.741	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)C[C@H](c1ccccc1)C(F)(F)F	515526409	FFECRXYCJCMCAF-OAQYLSRUSA-N	408.423	5.828	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnc(-c4ccccc4)s3)c2)c1	515675719	SVIDBRVXLWZFSG-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)SCc1coc(-c2ccc(Br)cc2)n1	516839057	ZPIUWUOHZCAAIX-CQSZACIVSA-N	423.376	5.150	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	520005017	VXZQPVZGRKUIDO-AWEZNQCLSA-N	421.419	5.269	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C)s2)c(C)c1	520164668	AOSFRRPEUCTJBF-KRWDZBQOSA-N	400.507	5.112	30	20	HKED	
N#Cc1c(SCc2noc(-c3ccsc3)n2)nc2c(c1-c1ccco1)CCC2	520165912	XVLOQWLRHYGKMZ-UHFFFAOYSA-N	406.492	5.106	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2cnc3ccccc3c2)cc1	521580749	XCBXIFPVXFBHBI-UHFFFAOYSA-N	409.514	5.329	30	20	HKED	
CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H](C)c1ccc(C#N)cc1	522305098	RNMLZTJTTADECW-IBGZPJMESA-N	409.489	5.232	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1C(F)(F)F	525050440	XMOBQYYYRSWHPZ-LSDHHAIUSA-N	406.473	6.232	30	20	HKED	
COC(=O)c1cccc(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)c1C#N	533690417	YZXRYJNUHLASDH-JOCHJYFZSA-N	408.860	5.017	30	20	HKED	
C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	533776148	QHJWVMHKOOVNSP-UHFFFAOYSA-N	411.958	5.669	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)cc2)CC1	539634101	FHEDPKLTNIVSQP-UHFFFAOYSA-N	415.880	5.400	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)NCCCCOCc1ccccc1	540853368	DRUAGUBXNRVRFP-UHFFFAOYSA-N	400.478	5.077	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)s1	541084425	QQAOUQSBGONFMA-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
CCCc1c(NC(=O)CCCCOc2cccc(C#N)c2)cnn1-c1cccc(F)c1	541489813	INHACYIYSXSBGY-UHFFFAOYSA-N	420.488	5.023	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2ccc(Cl)c(C#N)c2)cc1	541624928	XGVLUJCSBCXCHG-HSZRJFAPSA-N	403.913	5.421	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N1CCC(CC#N)CC1	541966520	CYHFBZYNMRYERG-AWEZNQCLSA-N	402.951	5.168	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1	542932666	VKOCMHAESIDBIZ-NSHDSACASA-N	414.399	5.167	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nccs1	543326390	JVEBBOXCGQJEBW-AWEZNQCLSA-N	410.474	5.214	30	20	HKED	
CCc1cnc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1	543677829	SLSKSWQBTBVKKP-UHFFFAOYSA-N	408.474	5.255	30	20	HKED	
C[C@H](C#N)CNC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C	543805308	MAKYKJOKTKGGAI-RVKKMQEKSA-N	406.917	5.199	30	20	HKED	
COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543961407	IHPGSVKUOZCQMF-QZTJIDSGSA-N	413.521	5.604	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccccc4OC(F)F)no3)cc2)nc1	547033866	LZWDATPOUHXWDB-UHFFFAOYSA-N	406.348	5.064	30	20	HKED	
N#C[C@H](C(=O)c1csc(C(F)(F)F)n1)c1nc(-c2c(F)cccc2F)cs1	551760673	QVEPGAFFOGSWCP-SSDOTTSWSA-N	415.368	5.054	30	20	HKED	
COc1cc(C)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1C	553213258	SLNUOHHLRGPCMR-UHFFFAOYSA-N	411.933	5.082	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1	566380339	GPEYQEVSOGIRJS-IBGZPJMESA-N	415.331	5.015	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	567151241	BDTHUCYFLQFZBI-UHFFFAOYSA-N	421.522	5.558	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CSC(C)C)c1C	570874773	XZXBOCDMNUSVRU-UHFFFAOYSA-N	402.560	5.332	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	580206395	CZRAOFTVOXJMLM-UPVQGACJSA-N	414.484	5.500	30	20	HKED	
Oc1nc(CNc2cc(C(F)(F)F)ccc2F)nc2cc(C(F)(F)F)ccc12	590293145	IEFFKNOVPCXKHW-UHFFFAOYSA-N	405.273	5.124	30	20	HKED	
CN(C(=O)CC1(C#N)CC1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1	590295116	DCRPXGLNEBASGO-LJQANCHMSA-N	417.734	5.344	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3sc4c(c3C#N)CCC4)cc12	602754520	MZEGTYIERSCXOF-UHFFFAOYSA-N	422.510	5.209	30	20	HKED	
CCOc1ccc(Oc2ccc(NC(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc1	603649389	DKEBKXNMNIMNFS-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
CN(C)Cc1c(C(=O)Nc2cccc(C#Cc3cccs3)c2)oc2ccccc12	603826169	XUEYXGWZMNUKGC-UHFFFAOYSA-N	400.503	5.208	30	20	HKED	
CN(C)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccco1	604088437	VVWJSCUKEAFSIT-LJQANCHMSA-N	424.888	5.021	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cc3ccccc3o2)cc1Cl	604387582	JIBPDMAUUVTZTJ-NRFANRHFSA-N	400.865	5.923	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c2)cc1	604690963	SMAFBBNSJYOSND-HSZRJFAPSA-N	403.441	5.176	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1Cl	609097240	VNDOPYHWZWTLAL-JOCHJYFZSA-N	412.880	5.433	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(OC)c1	609208983	MQPXIPFOQFYESR-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
CCSc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccn1	609378667	YGGZRTCRYYYWNM-UHFFFAOYSA-N	411.474	5.470	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCCOc1ccc(F)cc1	609438948	PHGCZOWUXVVOBL-MRXNPFEDSA-N	401.507	5.201	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(Br)cc1	609588632	KGWOKEHISRQBLF-CYBMUJFWSA-N	423.694	5.451	30	20	HKED	
Cc1sc(NC(=O)c2csc(-c3ccc(Br)s3)n2)c(C#N)c1C	609965924	SXAMMUFCNKLSFG-UHFFFAOYSA-N	424.370	5.436	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cc(F)ccc2SCC(F)F)c1	609978578	QMHNGGYIDAQCJU-UHFFFAOYSA-N	408.445	5.242	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCC[C@H](C(F)(F)F)C1	611829160	KNEKHUURUNNXND-KKJSVHSVSA-N	413.324	5.381	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1CC(F)(F)F	613407611	ZMSKGMSNZWYVOE-ZDUSSCGKSA-N	411.836	5.420	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1Oc1ccc(C)cc1	616847164	NHHNHECRLFGACV-UHFFFAOYSA-N	406.507	5.002	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1CCN(Cc2ccccc2)CC1	619999473	FNIRBATVLWNVML-UHFFFAOYSA-N	418.006	5.011	30	20	HKED	
Cc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cc(F)ccc12	672770701	GDCVRKQMLUDKRZ-NXEZZACHSA-N	413.358	5.552	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1F	677780542	KXUOYCCGNCPKHB-HTQZYQBOSA-N	424.719	5.521	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)c1	726572698	JTDRPOFEEZDYLY-UHFFFAOYSA-O	413.566	5.576	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC	727263529	CNYYVFRUIRFAAP-ALCCZGGFSA-N	400.780	5.281	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)cc1	727355264	PDGWFTPIQJDMFZ-JLVIMGNISA-N	408.910	5.408	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1cccc2ccccc12	727954239	XNBWLZFVZYAEQA-QDEBQFNMSA-N	424.500	5.522	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)CCCCCC(=O)N(CC)c2cccc(C#C)c2)c1	729831224	XAZUTMBCXBSPNX-UHFFFAOYSA-N	414.549	5.006	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c(F)c2)cc1	730180308	BAQPVEJPIPCIMV-UHFFFAOYSA-N	412.367	5.227	30	20	HKED	
Cc1nc(CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)oc1-c1ccccc1	730399057	QLGLLIOYJMWANZ-INIZCTEOSA-N	420.419	5.204	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1	730420205	BELTUOPGLQYNEM-YVZNUBBCSA-N	415.287	5.396	30	20	HKED	
CC[C@](C)(NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	730897097	FVKWVNQMQVZLRC-NRFANRHFSA-N	423.567	5.149	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)ccc2c1	731644814	CLJPYJQHEMVXIU-RACPOZDESA-N	410.395	5.261	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccnn3C3CCCCC3)c2)c1	734313901	ARVJLVQEMQGBOG-UHFFFAOYSA-N	400.482	5.091	30	20	HKED	
COc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)c(OC(F)F)c1	740010423	CLNJABGFJRVSDT-UHFFFAOYSA-N	400.450	5.187	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(SCC(F)(F)F)cc1	741842017	JAPJXYQYUDWUNK-RMKNXTFCSA-N	406.454	5.756	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1	744036786	IHCIWCQAMJRIGK-MDNBWPLSSA-N	412.436	6.109	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1cc2cnn(C(C)C)c2nc1Cl	745626233	KMDUJGSLENSMSJ-KHPPLWFESA-N	419.916	5.364	30	20	HKED	
Cc1ccc(CCCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	746417305	VPZWGMHIMCDPMG-GOSISDBHSA-N	419.550	5.173	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)s1	749004644	FRELAMVEIAHLLL-JLHYYAGUSA-N	403.569	5.053	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	749054513	GLYQNBWYTDBOJZ-OAHLLOKOSA-N	412.461	5.294	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1	752655928	IZAJNHCHDGBTBM-YADHBBJMSA-N	420.513	5.195	30	20	HKED	
CCOC(=O)Nc1ccc2c(CSc3ccc(Cl)cc3C#N)cc(=O)oc2c1	753833018	SZIFDGPWJGBPQA-UHFFFAOYSA-N	414.870	5.179	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)Cc1cccc(OCC#N)c1	760405705	JYFIWAGJJLXSAJ-UHFFFAOYSA-N	422.525	5.436	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1nc2ccc(F)cc2s1	761750084	TXLZIOODOOZKBT-UHFFFAOYSA-N	420.494	5.064	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C	764963804	LGIXCXIBJYEMHI-KRWDZBQOSA-N	423.513	5.291	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3COC3CCOCC3)cc2)cc1	768167456	LKPLATOPKMISDN-UHFFFAOYSA-N	413.473	5.140	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	768730456	NBDFAVTXJYSYKD-UHFFFAOYSA-N	408.285	5.453	30	20	HKED	
O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ncccc1C(F)(F)F	770751656	ZCLCUJCSMWJHKI-LBPRGKRZSA-N	417.227	5.580	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3C(F)(F)C2)cc1	771465175	XLSPKHNVAKOKFZ-NRFANRHFSA-N	403.432	5.482	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)[C@H]3C[C@@H](C4CCCCC4)CN3C2=O)cc1	771907791	UOZDBWAHIRQRAL-GMKZXUHWSA-N	413.521	5.079	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2SCC#N)sc1Cc1cccc(Cl)c1	772122202	LKNLZOYHHZAABH-UHFFFAOYSA-N	413.955	5.564	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H](O)c2ccc(Cl)cc2)cc1	772631763	GHGSAZPWTQIQBB-FQEVSTJZSA-N	422.868	5.075	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3noc(C4CCCCC4)n3)cc2F)c1	772911284	NGEZEJUGFCAZEX-UHFFFAOYSA-N	406.461	5.319	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(OCc2cccc(F)c2)c1	780511682	RRPSLDIKPAPJNL-INIZCTEOSA-N	405.429	5.340	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccncc1	780714981	CZBFFTZVFQIOSJ-INIZCTEOSA-N	402.372	5.287	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2sc3ccccc3c2Cl)n1	782524341	KCPCCBNYFDZTCK-UHFFFAOYSA-N	413.289	5.518	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	788092673	NFHDTSUETBFTOL-QPTUXGOLSA-N	412.489	5.101	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1	789719428	PUGSKYDTTSCMEN-OAQYLSRUSA-N	404.554	5.455	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1	789722193	SNRUGKRBMJCOLF-QFIPXVFZSA-N	422.569	6.133	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Cc1csc2ccc(Br)cc12	791698207	OPTIGHBRYYAERD-GFCCVEGCSA-N	415.312	5.136	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2cnc(-c3ccccc3OC)nc2)cc1	792885034	NJUAAXQHKZTFIZ-LFIBNONCSA-N	422.484	5.724	30	20	HKED	
COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1	793382729	KXHFYQCXYOLWMN-UHFFFAOYSA-N	409.486	5.096	30	20	HKED	
C#C[C@H](NC(=O)c1ccccc1SCc1cc(C)no1)c1ccc(Cl)cc1F	804414481	MAQRLMPWZFXZIR-IBGZPJMESA-N	414.889	5.172	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1	806452446	ZBSAZIUYASWGPH-IBGZPJMESA-N	406.448	5.412	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc3ccc(Br)cc3o2)cc1	812248191	GMLCXQUQHFZLKI-LWHXSLQUSA-N	403.663	5.618	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1	812744522	HZENCDPIJKRDNV-QZTJIDSGSA-N	413.949	5.149	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(C)c1	813218759	SSQAKXPINLECGL-QGZVFWFLSA-N	402.416	5.255	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)N(O)Cc1cccc2ccccc12	901368017	PLJCCQBOGLKKGY-UHFFFAOYSA-N	418.518	5.769	30	20	HKED	
Cc1cccc(-n2c(SCC(=O)[C@@H](C#N)c3nc(C)cs3)nc3ccccc32)c1	913534546	YPXKLFDZZGKDSZ-QGZVFWFLSA-N	418.547	5.067	30	20	HKED	
N#CCCn1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)c2ccccc21	916266816	GOUWXIKYZKTLBN-UHFFFAOYSA-N	404.473	5.261	30	20	HKED	
Cc1sc2ncn(N=Cc3c(-c4ccccc4)n(C)c4ccccc34)c(=O)c2c1C	916310634	ATDOSCWKYRYMOP-UHFFFAOYSA-N	412.518	5.116	30	20	HKED	
Cc1cc(NN=Cc2cn(CCC#N)nc2-c2ccccc2)nc2ccc(Cl)cc12	916543700	IZXQQGJFSWGXSA-UHFFFAOYSA-N	414.900	5.420	30	20	HKED	
N#C[C@@H](C(=O)CCn1ccc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	916904858	JRPRXABBICSLMY-NRFANRHFSA-N	423.472	5.171	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1cccc2ccccc12	916917453	DBMFKCIIMWDJCG-NRFANRHFSA-N	423.472	5.165	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997108	QYFNYMOWDQVBGT-HQQUCIOCSA-N	417.292	6.146	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)o1	917046734	NKIHKHHYHIYWOH-CYBMUJFWSA-N	413.911	5.394	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(-c2ccccc2)o1)CCCCC3	917536415	QEHOLJVRAQGCAC-UHFFFAOYSA-N	403.507	5.178	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cc(C)cc(C)c4)CC3)n2)cc1	920138311	DFKGKDVZYLNKFT-HXUWFJFHSA-N	402.519	5.344	30	20	HKED	
Cc1c(Cl)cccc1NC(=S)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	920994383	RBYNQZDPKZZIOT-UHFFFAOYSA-N	423.944	6.058	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1	1786103249	UJAWQGQXRIPOOR-GOSISDBHSA-N	416.512	5.324	30	20	HKED	
C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1	7224291	MZTDNRYXVFDJBK-INIZCTEOSA-N	412.603	5.141	30	20	HKED	
COc1ccc(NC(=O)[C@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)cc1	16119434	CHZDKBOERSYJIN-OAQYLSRUSA-N	403.507	5.051	30	20	HKED	
C=CCn1c(C)nnc1S[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21	23515327	HQLGKDVIDPTISL-CQSZACIVSA-N	408.552	5.083	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OC	41555975	ULXUVQPSOWOHSF-ZDUSSCGKSA-N	412.795	5.041	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1	55823825	LQXHBTJFWAYIGP-PKTZIBPZSA-N	400.453	5.213	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1csc(-c2cc(Br)cs2)n1	63962448	UPRJMVFHECRQQA-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-n2cccc2)c1)c1nc(-c2c(F)cccc2F)cs1	64715047	MABLYQRRWWGTJE-MRXNPFEDSA-N	405.429	5.369	30	20	HKED	
N#C[C@@H](C(=O)CS[C@@H]1CCCc2ccccc21)c1nc(-c2ccccc2)cs1	109144854	PFIIXUKDHVOYDT-SIKLNZKXSA-N	404.560	5.797	30	20	HKED	
COc1cc(C(=O)/C=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)cc(OC)c1OC	207874185	STUISSUVEALKQC-PLNGDYQASA-N	421.276	5.234	30	20	HKED	
C=CCn1c(Sc2cc(C)nc(-c3cccnc3)n2)nnc1-c1ccc(Cl)cc1	301097108	HEYGRMHDRRJHAP-UHFFFAOYSA-N	420.929	5.096	30	20	HKED	
C[C@H](Nc1nc(N[C@H](C)c2ccc(C#N)cc2)sc1[N+](=O)[O-])c1ccc(C#N)cc1	301306291	YQWQNBPMAHICQY-UONOGXRCSA-N	418.482	5.141	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2ccsc2)nc1N1CCC[C@H]1c1ccsc1	302826923	HPINLTOTWOOBPY-UXHICEINSA-N	406.580	5.759	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(-c3ccoc3)n2)cc1	409560486	FSHOZMSESQIJDN-UHFFFAOYSA-N	417.465	5.256	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C	410372374	HOZZTXPNYTUYBV-DHLKQENFSA-N	415.537	5.324	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCOC2(CCCC2)C1	426119178	IPUWCDXSDCUYRY-OAQYLSRUSA-N	419.525	5.059	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2cccc(SCC#N)c2)cc1	430611948	QECXOTJQAFIKMJ-SFHVURJKSA-N	416.546	5.811	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)c1ccccc1	431930163	DCNHDIHIWPBWEP-MOPGFXCFSA-N	402.325	5.715	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)ccc2C)c1	432981099	ZYWTYNIJJQCVIV-QFIPXVFZSA-N	414.509	6.047	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(C(F)(F)F)c1	433143442	ZAVIVRPMVYSAIS-IBGZPJMESA-N	419.447	6.049	30	20	HKED	
COC(=O)[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(C#N)c1	434863275	YLOPPIIJNSJFFJ-JOCHJYFZSA-N	417.852	5.202	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccccc1	435607838	PDEJGFGPXWYQBF-NRFANRHFSA-N	414.571	5.229	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1	435773409	VDYJLHROOBTVMX-GFCCVEGCSA-N	412.232	5.588	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2cccnc2)cc1	438037874	AKVVNOPLIBDWEE-QGZVFWFLSA-N	402.523	5.322	30	20	HKED	
CSc1ccc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1	439466824	ILTSZLSYBXMTAU-MRXNPFEDSA-N	410.587	5.103	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC(c2ccc(F)c(Cl)c2)C1	439501307	OAMWMMBTTAMSCD-IUDNXUCKSA-N	417.937	5.799	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1	440740092	VHULEZULKGAMAF-NRFANRHFSA-N	422.916	5.001	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1C	441278736	APIKBHOTTIAIOF-LLVKDONJSA-N	418.143	5.429	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NCC(=O)N(CCC#N)c1cccc(Cl)c1	444783423	KVORTJBAXBSZLV-LJQANCHMSA-N	423.866	5.178	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1c(F)ccc(Br)c1F	447373714	MEUKIQNDEJXUIR-UHFFFAOYSA-N	419.250	5.580	30	20	HKED	
CC(C)(C#N)CC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	447397281	NKRGPCSVDJXUHS-UHFFFAOYSA-N	404.392	5.228	30	20	HKED	
CC(=O)Nc1cc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)ccc1F	460149047	HXFHHYCXWFWYCJ-UHFFFAOYSA-N	421.859	5.156	30	20	HKED	
CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1C#N	462345232	KGEFIOPBFGTBEL-LBPRGKRZSA-N	416.852	5.002	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCC(F)(F)F)CC(F)(F)F	468513733	DRAJSERWPVURNA-SNVBAGLBSA-N	409.292	5.227	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)sc1Cl	468852345	FELHTSKGCAGEGJ-GFCCVEGCSA-N	408.354	5.811	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(Cl)c1	474143857	VNMPUDBPGLPXJB-UHFFFAOYSA-N	410.857	5.423	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc3c[nH]nc3c2)cc1Cl	474902484	VHRZEDQVJOXSSP-FQEVSTJZSA-N	400.869	5.053	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(CC2CC2)nc1C	475344555	WLFBVEMJWUOPJF-UHFFFAOYSA-N	404.495	5.024	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccc(OC)cc2)o1	476095864	PEZQQUNESFFGTI-UHFFFAOYSA-N	423.538	5.328	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CC(c2nc3ccccc3s2)C1	478960978	MHWWQQYYNGPTAD-UHFFFAOYSA-N	411.486	5.200	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(OCc2cccnc2)c1	480327789	ASRROZRGCXOQQU-UHFFFAOYSA-N	413.930	5.596	30	20	HKED	
C=C(C)[C@@H](N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1)c1ccc(F)c(F)c1	480689717	OSLQVZCRULMIIS-OPAMFIHVSA-N	401.501	5.807	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(C#N)cc1	481571676	PRYNCXNFNQRSRN-MRXNPFEDSA-N	414.440	5.031	30	20	HKED	
C=C(C)[C@H](NCc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc(F)c(F)c1	481621807	KXKWPEVYYVODFG-FQEVSTJZSA-N	401.482	5.362	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1nccc2ccccc12	483239359	SDAGULVPWNGQLU-HNNXBMFYSA-N	419.200	5.506	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1	483877996	UKBNRCDQPICYAB-UHFFFAOYSA-N	408.289	5.027	30	20	HKED	
CCOc1ncc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1Cl	487089810	OVPFXFWLZDKMFG-UHFFFAOYSA-N	409.898	5.085	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1	487511384	DLYPOLQYWIFDHM-FQEVSTJZSA-N	403.507	5.165	30	20	HKED	
COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	488312852	LUVDCLLIXMOTKI-DNVCBOLYSA-N	417.962	5.443	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)SCc2ccc(F)cc2C#N)c(Br)c1	488519106	YBTUMPBHFVLMBI-LBPRGKRZSA-N	407.308	5.029	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCCC[C@H]1C=C)(C3)C2	488873167	SUXCJPVRLINJRH-PNIQBFBMSA-N	424.629	5.097	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1	495437427	BMRRVVNUOYCRGI-DLBZAZTESA-N	411.596	5.126	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3ccccc3Cl)s2)cc1	499932468	STQRYQDHMBAERD-GOSISDBHSA-N	411.914	5.165	30	20	HKED	
Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	505131379	WMERMUQLXINRRH-UHFFFAOYSA-N	401.535	5.645	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2F)cc1	507829706	ZGQCGFXNPFGQHX-MRXNPFEDSA-N	419.456	5.246	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)c1nccs1	508746559	KYTRMTYKFPWOLO-CQSZACIVSA-N	420.007	5.106	30	20	HKED	
Cc1c(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)sc2ccc(C#N)cc12	510486190	WMMXWQQOTXQSRQ-UHFFFAOYSA-N	414.534	5.217	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	510892271	HYIZXGVTGMUSCD-LQWHRVPQSA-N	409.555	5.228	30	20	HKED	
Cc1cc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)s1	511512131	JUZMSMIJDOGSIL-OAHLLOKOSA-N	418.522	5.372	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nc2ccccc2s1	513655858	VBUUWUAACBHFII-QGZVFWFLSA-N	415.430	5.487	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)ccc1OCC(F)(F)F	515427247	VRJIYNIWIHJRCK-UHFFFAOYSA-N	421.762	5.060	30	20	HKED	
Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)N1CCC(C#N)CC1	517893659	RRESJLZYBXICGJ-UHFFFAOYSA-N	418.324	6.170	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1	518137899	UFQRKZFPCQPPNK-OAHLLOKOSA-N	421.547	5.504	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1cc(F)ccc1F	521722430	DNSFCLRKAKBACQ-UONOGXRCSA-N	406.523	5.649	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccc(-c3ccncc3)cc2)cc1	523512642	KVVZXJWTLMUIAI-UHFFFAOYSA-N	423.447	5.482	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)o1	523587723	CNARICWUILBBIM-UHFFFAOYSA-N	416.481	5.033	30	20	HKED	
COc1cccc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	524461136	KTJTURCPZFQNKV-UHFFFAOYSA-N	422.481	5.016	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc(C3CC3)nc21	524572661	LMJOYHXPLPVXDS-QFIPXVFZSA-N	415.541	5.182	30	20	HKED	
C=CCn1c(SCc2ncc(CC)o2)nc2scc(-c3cccs3)c2c1=O	525190430	JOJUXXPOYZVINH-UHFFFAOYSA-N	415.565	5.215	30	20	HKED	
N#CC1(NC(=O)c2cc(/C=C/c3cccs3)nc3ccc(Br)cc23)CC1	533871134	FMDALOVXVVSTQQ-SNAWJCMRSA-N	424.323	5.015	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1Cl	536329533	OJYCZADNOKJICG-HKUYNNGSSA-N	423.925	5.556	30	20	HKED	
O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccccc1OC(F)F	538791610	GHKUTIIYJIGMEE-UHFFFAOYSA-N	421.272	5.071	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@@H](c3ccc(Cl)cc3)c3ccsc3)CC2)cc1	540985030	CRBDXPRDFNRFQC-DEOSSOPVSA-N	421.997	5.617	30	20	HKED	
N#CC1(c2ccccn2)CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	549809098	CHIHHUKWRYPQQU-UHFFFAOYSA-N	403.476	5.049	30	20	HKED	
CC(C)(C(=O)Nc1cc(C#N)ccn1)c1csc(-c2c(Cl)cccc2Cl)n1	554746132	SSFFMECHDCVSQG-UHFFFAOYSA-N	417.321	5.300	30	20	HKED	
N#CCCCCCC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1	588274549	BKIRKZKNGDIBRS-UHFFFAOYSA-N	404.392	5.109	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)cn1	589829994	CCHYZUURJJRZAY-GFCCVEGCSA-N	407.804	5.367	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)c1	590288117	AQTVSTSCMHYCOO-UHFFFAOYSA-N	418.880	5.392	30	20	HKED	
N#CCCC[C@H](NC(=O)CCc1ccc(Br)cc1F)c1ccccc1	590477915	JUYOGBWGEJSTKW-IBGZPJMESA-N	403.295	5.072	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-]	603835654	DXXMGYWRWUAYLA-GOSISDBHSA-N	419.506	5.771	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	609061139	SRFWYYTWLWDJSL-OALUTQOASA-N	416.443	5.753	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nc(C)cs1	609207042	OCZCTIWBNRJUTC-IBGZPJMESA-N	406.511	5.697	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	609414419	ORWJAJZTXJWWKO-LBPRGKRZSA-N	408.335	5.482	30	20	HKED	
N#C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	609462382	ADFUMEHNFFEJAJ-OAHLLOKOSA-N	418.362	5.197	30	20	HKED	
Cc1cc(Cl)cc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)oc12	609750864	KDRYBDJLPOPVLC-ZDUSSCGKSA-N	417.893	5.356	30	20	HKED	
C=CCCCSCC(=O)Nc1c(Br)cc(C)cc1Br	609805224	WNDUFCDFLQEANS-UHFFFAOYSA-N	407.171	5.158	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1F	610009795	QCHVPPGLCKJWJN-KUHUBIRLSA-N	420.550	6.040	30	20	HKED	
CN1CCC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1cccs1	610180677	LXOCMEROFWZNKM-NTKDMRAZSA-N	415.562	5.100	30	20	HKED	
COc1ccc(CN(C(=O)N[C@H](C)c2cccc(C#N)c2)C2CCCCC2)cc1OC	611285450	CYCXDHBBKKIPLS-GOSISDBHSA-N	421.541	5.181	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc2cc(OC)ccc2c1	612291505	SMGRBWCQCXEJLM-UHFFFAOYSA-N	400.931	5.461	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc2ccccc2n1	620847289	KJLMYCLUBMQJEV-HNNXBMFYSA-N	424.312	6.155	30	20	HKED	
N#Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1	640688767	BCUQWZIYISODEW-UHFFFAOYSA-N	409.470	5.165	30	20	HKED	
O=C(Nc1cccc(NCC(F)(F)F)c1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	647638966	JEPXJZNKODVLDK-UHFFFAOYSA-N	420.328	5.489	30	20	HKED	
O=C(c1ccc(Oc2ccc(F)cc2)cc1)N(CCC(F)(F)F)CC(F)(F)F	684161637	YHLRCFHZHOOYMP-UHFFFAOYSA-N	409.301	5.575	30	20	HKED	
COc1cccc(Cc2cnc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)c1	727222576	GGXNBVUSBPTXAZ-UHFFFAOYSA-N	420.538	5.057	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc2cc(F)ccc2s1	730422392	XFEDOCMROFJXDX-INIZCTEOSA-N	414.889	5.013	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(OC(F)(F)F)cc1	731197170	PQAUVWCNQXRCAT-INIZCTEOSA-N	424.469	5.058	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2Oc2cccc(F)c2)c1	733843456	IUVGTTSBKIAAIU-LJQANCHMSA-N	419.456	5.621	30	20	HKED	
CC[C@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cccs1	734379416	VWQOESJIROHDJQ-FQEVSTJZSA-N	407.564	5.636	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(OC2CCCCC2)cc1	735592748	DROFNCNITASANP-SFHVURJKSA-N	414.864	5.152	30	20	HKED	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C/C(=O)c1c(Cl)nc2sccn12	741844367	OPGKLGIQPKLMEA-GQCTYLIASA-N	418.856	5.026	30	20	HKED	
CC(=O)Nc1ccc(OC(=O)c2ccccc2Sc2ccccc2C#N)c(F)c1	742837802	HWRBSWBDSIBFGR-UHFFFAOYSA-N	406.438	5.026	30	20	HKED	
O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccc(SCC(F)(F)F)cc1	743056188	QSTBSCHKVFEKGP-XCVCLJGOSA-N	416.424	5.819	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	744935926	JQLKFVMKTJXHLX-ZDUSSCGKSA-N	416.289	5.078	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccccc2)o1	749026792	RKWZQCRTIZPJMH-IBGZPJMESA-N	402.450	5.158	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC	749451040	GXXAHQYSHCKBHS-RBYWHNRPSA-N	410.539	5.381	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nc(C4CCCC4)no3)cc2Cl)c1	751562348	RIRIIPYOSCYMKN-UHFFFAOYSA-N	408.889	5.443	30	20	HKED	
FC(F)(F)C(=NOCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1	751965191	IYSVWWYMGSMDRA-UHFFFAOYSA-N	416.186	5.527	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cnc(-c2ccccn2)s1	753144541	MVJWVGNGRWANMI-KTKRTIGZSA-N	407.495	5.672	30	20	HKED	
C#CC[C@@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)c1ccccc1	756776385	OKXBMHGSUNVMPA-YVEFUNNKSA-N	423.148	5.332	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)C1	766627344	ZHMYRWNUUKAJAY-RLLQIKCJSA-N	411.571	5.537	30	20	HKED	
N#CCCn1cc(CNc2ccc(N3CCCC3)c(Cl)c2)c(-c2ccccc2)n1	770546264	VGYLBOMEXBQRNF-UHFFFAOYSA-N	405.933	5.329	30	20	HKED	
O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ncccc1C(F)(F)F	770751655	ZCLCUJCSMWJHKI-GFCCVEGCSA-N	417.227	5.580	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H](O)c1ccc(Cl)cc1	772679527	UETLBIPEDDSAFZ-QHCPKHFHSA-N	422.887	5.316	30	20	HKED	
C#CCOc1ccccc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	775947969	IAZHVNSXIMOFBP-UHFFFAOYSA-N	424.909	5.227	30	20	HKED	
COc1cc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)ccc1OCc1ccccc1	776159400	WGTHKPSAOSSYAY-VQTJNVASSA-N	416.521	5.588	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cn1	780492694	VUHABAFHSMKDOB-INIZCTEOSA-N	418.453	5.126	30	20	HKED	
CCC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	783352766	HXASACKZBNARKJ-FQEVSTJZSA-N	412.445	5.033	30	20	HKED	
COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	792936946	YXUPWFJHKXIPOS-UHFFFAOYSA-N	413.477	5.001	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)[C@H]1OCCc2sccc21	796756471	MIHISJPTEHCGHJ-SBOFIZKASA-N	402.928	5.138	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)cn1	798666382	BPFBWVQCAVSXQF-CYBMUJFWSA-N	413.355	5.077	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc1	801739996	XUVKISZVDDHFSC-ONVNLJNZSA-N	423.988	5.335	30	20	HKED	
COc1cccc(Cc2cnc(NC(=O)N[C@H](CCCC#N)c3ccccc3)s2)c1	814310740	YZPCTBIPDAOVPS-OAQYLSRUSA-N	420.538	5.299	30	20	HKED	
C(=NNc1ncnc2sccc12)c1cn(Cc2ccccc2)nc1-c1cccs1	916369354	BSQSMSBHLCXGJV-UHFFFAOYSA-N	416.535	5.111	30	20	HKED	
C=CCN(C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)C(C)C	916709067	NKIVMRKZPFKUBA-UHFFFAOYSA-N	405.420	5.386	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)o2)cc1	916915222	AJKVOTCOQVXQLW-NRFANRHFSA-N	422.440	5.264	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(Cl)c2ccccc21	916932316	SLUJKKQSJJGXRK-LBPRGKRZSA-N	420.683	5.100	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(C)o3)n2)cc1	916947982	DHJZIVZWYSDHJF-GUYCJALGSA-N	407.495	5.186	30	20	HKED	
C[C@@H](Oc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997144	RSHRHZFYJFMBLW-MLGOLLRUSA-N	417.317	5.761	30	20	HKED	
COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	917030947	SHTSDQZQZABJHF-UNOMPAQXSA-N	401.418	5.005	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)co1	933343634	HLEMXPOBFCGUOB-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3sccc3OC)CCC2)cc1	1789456414	SWRNUEWNPUWOIZ-LJQANCHMSA-N	424.566	5.273	30	20	HKED	
C[C@@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1	1790767962	UJOLKBAETMPJBB-IQMFZBJNSA-N	421.928	5.005	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1	1818454324	QYRVOELDPRCMGZ-JTSKRJEESA-N	416.525	5.081	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2C)CC1	1825783869	RIBYTEJBAQVKRZ-FQEVSTJZSA-N	416.631	5.282	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CC(=C)C)CC1	1828827249	TXMSWZSYPKESAH-XZOQPEGZSA-N	414.634	5.367	30	20	HKED	
CC1(C)OB(c2c3oc(-c4ccccc4)nc3cc3oc4ccccc4c23)OC1(C)C	2382215682	SNRNXHVDYOMTBJ-UHFFFAOYSA-N	411.266	5.693	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	63390218	GUEWWVUNYXAKRG-UHFFFAOYSA-N	403.482	5.210	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2[nH]c3ccccc3c2Cl)cc1	65654721	ZBRLUXBESUKIIM-UHFFFAOYSA-N	415.880	5.719	30	20	HKED	
COc1ccc(NC(=O)[C@H](Sc2cc(C#N)ccn2)c2ccccc2)cc1Cl	71918292	LYGXLPWRSRCPPM-HXUWFJFHSA-N	409.898	5.087	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(-c2ccccc2)nc1	303067037	NKZQERNCUKSXQZ-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CSc1ccc(C#N)cc1	303166294	HXKJOEWMJNUHBT-UHFFFAOYSA-N	406.482	5.316	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4ccc(F)c(F)c4C3)c2)cc1	426115994	XRQJDPGMJQVJMY-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
COc1cccc(NCc2nnc(S[C@@H]3CC[C@@H](C#N)C3)n2C2CCCCC2)c1	430102495	FISMLLLJMPYDMY-OXQOHEQNSA-N	411.575	5.188	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	431219723	YNBGEQSPWMGNQH-DOTOQJQBSA-N	414.962	5.135	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)c2)cc1	432323731	GEHVBEASWINOPF-LJQANCHMSA-N	416.502	5.290	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1	432704777	OSWICIUDDZWYSQ-IBGZPJMESA-N	410.905	5.023	30	20	HKED	
Cc1ccc([C@H](NC(=O)CN[C@H](CCCC#N)c2ccccc2)c2cccs2)cc1	433029472	SBRVTSDXXVEWSX-RDGATRHJSA-N	417.578	5.287	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc2c(c1)CC(=O)N2C)c1ccc(C(F)(F)F)cc1	433425683	SMFPFHCQICUKJV-SFHVURJKSA-N	417.431	5.053	30	20	HKED	
C[C@@H](NC(=O)N1CC[C@@H](CC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1	434335615	NXZCODNTQDBLGW-WBVHZDCISA-N	401.432	5.270	30	20	HKED	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	435109099	AHIFQHSBPYAXNL-URVUXULASA-N	422.960	5.086	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)c(Cl)c1	435911047	IAOGNQGKPMBHNP-UHFFFAOYSA-N	407.260	5.456	30	20	HKED	
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438670077	USWZHFMIKWUKPU-HNNXBMFYSA-N	405.429	5.420	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(C(F)(F)F)cc1	441574641	KXCQONNHPUSYQG-GOSISDBHSA-N	421.463	5.502	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(C(F)(F)F)cc1	442274940	NTWBCADXZLDLOS-FUHWJXTLSA-N	423.504	5.758	30	20	HKED	
N#C[C@@H](C(=O)c1ccncc1Oc1ccccc1)c1nc2cc(Cl)ccc2s1	442527942	MZFXDQPMTRMVBW-INIZCTEOSA-N	405.866	5.627	30	20	HKED	
N#C[C@H](C(=O)c1ccc(F)c(Br)c1)c1nc2cc(Cl)ccc2s1	442670392	JGFJXSSPBYYVHH-SNVBAGLBSA-N	409.667	5.341	30	20	HKED	
Cc1cccc([C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)c2ccccn2)c1	444324471	XTKOKPUTFPNPJE-VWLOTQADSA-N	408.505	5.168	30	20	HKED	
CC[C@@H](N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	447542801	KENIDPZZHOAQFC-JWQCQUIFSA-N	418.562	5.101	30	20	HKED	
C=CCOCCCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1	463742016	RYYVSPDSCPIDHR-UHFFFAOYSA-N	407.514	5.131	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1	463750169	OYSPMXXIVYXXJD-AWEZNQCLSA-N	404.495	5.261	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(C(C)(C)C)cs2)cc1C	465404657	OZIOYJIXGJGICV-UHFFFAOYSA-N	407.543	5.087	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1	466678449	SOMDBSRSZNMUFT-CQSZACIVSA-N	401.429	5.150	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	470133453	ORURKNPWVXZGSO-WCBMZHEXSA-N	420.300	5.154	30	20	HKED	
CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)S(=O)(=O)CCCCC#N)c2)cc1	470622084	TYOIKEBUNOJUTK-IBGZPJMESA-N	414.571	5.157	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(Nc4ccccc4)c3)ccc21	470839573	FTOKCMCUYAZNJP-UHFFFAOYSA-N	424.504	5.265	30	20	HKED	
N#C[C@]1(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CCc2ccccc2C1	472260207	OLCHMYDXYFWMOX-FQEVSTJZSA-N	401.318	5.389	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1	475561563	BROWFCILGRSXFW-UHFFFAOYSA-N	424.932	5.606	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1cc(Br)cn1C	475580253	BIFWSBUNSAQMIA-UHFFFAOYSA-N	404.352	5.303	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1	475583376	PSACENCERJERFI-JOCHJYFZSA-N	410.533	5.891	30	20	HKED	
CCc1cccc2c(CCNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c[nH]c12	477611246	IKLXKIWBXJOPBR-UHFFFAOYSA-N	402.542	5.012	30	20	HKED	
CC1(C)CN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC[C@H]1C(F)(F)F	478872304	WHCCOBMHWAYLAM-OLZOCXBDSA-N	400.338	5.049	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N	480808138	WVQAJQISJALIJZ-JTQLQIEISA-N	412.481	5.035	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2ccc(F)cc2)n1	481401920	MBKNTWLTBNTRDQ-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
N#Cc1ccc(SCC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1	481925407	YTRPUHUWJIMGHH-UBSBWAOCSA-N	410.542	5.064	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c1C(F)(F)F	483232925	SWLWXOMZMYWDJY-KRWDZBQOSA-N	420.394	5.238	30	20	HKED	
COCCOc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl	483409181	JQGGLDUWOZOFEL-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(C2CCCCC2)n1)c1nc(-c2ccc(Cl)cc2)cs1	483464295	UQSROAXCSQGQDB-KRWDZBQOSA-N	410.930	5.655	30	20	HKED	
CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n[nH]1	486139637	VTTYCCPDKZXGNB-HOCLYGCPSA-N	418.501	5.173	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(Br)cc2)nnc1-c1ccncc1	487158219	QRVDYLXQEHYUGA-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc(C)nc2ccccc12	489644188	VLULOTWKJFTWNZ-UHFFFAOYSA-N	402.523	5.192	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32	501565235	GGNGVYKIWTYHSO-HTAPYJJXSA-N	408.542	5.160	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)CCC(C)C)c3cnn(C(C)C)c3n2)s1	505213613	OYBCYWJAHDVFLM-UHFFFAOYSA-N	423.586	5.451	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)n2)cc1	505432188	GLPSKZOCUVXYMI-CQSZACIVSA-N	413.289	5.234	30	20	HKED	
COc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc(Cl)c1OCC(C)C	509580858	UBGRDWIHAWUKBF-UHFFFAOYSA-N	416.905	5.295	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	513194142	MBTKEWKDLFNTKG-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
C=CCOc1ccc(CNC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1	513627174	LYXQVMHUVXUYBT-UHFFFAOYSA-N	404.476	5.024	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)nc2ccccc21	513737255	YNQPZAQBBLZXAJ-NRFANRHFSA-N	402.457	5.279	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCCOc1ccc(Cl)cc1Cl	514643546	WSTBDWWRBNLCCH-UHFFFAOYSA-N	415.729	5.269	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2)cs1	515103422	RXPIDUHTFJKGSR-UHFFFAOYSA-N	408.552	5.045	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl	515687562	SIOOUEWMPODRFE-UHFFFAOYSA-N	417.896	5.126	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCc4c(Cl)cccc43)s2)cc1	516660472	VUVMDCZWFIIHDW-LJQANCHMSA-N	408.914	5.068	30	20	HKED	
N#Cc1cc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cnc1C(F)(F)F	517603559	UTPRAVQXZMABGQ-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1	517781198	NFBVTOZLODYNNT-AREMUKBSSA-N	423.516	6.014	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc(C)nc21	518739221	UAFZHOWHQYTQHE-JKSUJKDBSA-N	407.543	5.357	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519978363	ZILYYWJGCSOXNG-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
N#C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(Cl)c(Cl)c1	521016198	PNSORGCXHJPISP-HXUWFJFHSA-N	411.288	5.420	30	20	HKED	
CCCC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(OC)cc1	521257913	NKEXFMPYEJFUTR-PXNSSMCTSA-N	411.571	6.000	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(Oc4ccccc4)c3)n2)cc1	522875812	QLKPMCPHRUFALW-FQEVSTJZSA-N	422.469	5.359	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCc2ccc(O)cc2)cc1Cl	524035683	AUABMPHWIJHFJC-JOCHJYFZSA-N	419.912	5.455	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1	524673663	FDMJYJZZDPZTPN-HZPDHXFCSA-N	401.329	5.197	30	20	HKED	
COc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cc1	524964534	MMMSLKPFNGYKEM-UHFFFAOYSA-N	422.506	5.089	30	20	HKED	
CCc1cnc(CN(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1	534150371	BRKLBSLLHMRMAS-UHFFFAOYSA-N	411.914	5.295	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1F	534769498	UAMXKBPTNBQICQ-UHFFFAOYSA-N	408.404	5.066	30	20	HKED	
COc1ccc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OCCCC#N	535781804	VPTIHTMEVOFTCK-LJQANCHMSA-N	421.566	5.367	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	536737613	OITDXJFRMPIEKL-MDOVXXIYSA-N	401.507	5.118	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	537096374	RPOJMBVLDZDYBC-TZMCWYRMSA-N	423.365	5.641	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nc2ccccc2o1	537557206	HDKBFDCJFQFBPS-INIZCTEOSA-N	406.511	5.346	30	20	HKED	
CC[C@H](C)n1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C	539779853	HWGYJXDEVVHGNN-KRWDZBQOSA-N	404.489	5.016	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cncnc2-c2ccccc2)cc1F	541222342	WMISFBWPLDOSEK-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
C[C@H](O)CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CCCCC1	542708266	XSVMFONBUDUICM-INIZCTEOSA-N	411.477	5.037	30	20	HKED	
Cc1c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)sc2ccc(C#N)cc12	551288889	BDLIANOHLMOXHN-VQTJNVASSA-N	406.507	5.016	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](OC)c1ccccc1	554896780	UNUYEPHBUXNJHW-IBGZPJMESA-N	415.946	5.176	30	20	HKED	
COc1ccccc1N(C(C)=O)c1nc(CSc2cccc(F)c2C#N)cs1	559631306	VMXQTBXATAUZRB-UHFFFAOYSA-N	413.499	5.139	30	20	HKED	
COc1cc(C#N)ccc1CNc1ccc(Oc2nncc3ccccc23)c(Cl)c1	560379605	KVHAUJJNEPHOEH-UHFFFAOYSA-N	416.868	5.568	30	20	HKED	
C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C[C@H](CC#N)c1ccccc1	561067237	IXBQQCXJKJWQJS-PLMTUMEDSA-N	416.443	5.081	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccc3c(c1)OCCO3)c1ccccc1Cl)CC2	563963807	PSLNLEKSIYUMAR-DHLKQENFSA-N	416.908	5.349	30	20	HKED	
CCOc1ccc(-n2c(COc3ccccc3)nnc2S[C@H](C)CCC#N)cc1	565109214	CPHNUCBDPSYRMU-QGZVFWFLSA-N	408.527	5.029	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3/C=C\c3ccccc3)cc2)ccn1	569747254	SYMKEDNEYUSZHL-GIVJRHHMSA-N	410.477	5.455	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc[nH]c3C3CCC3)cc2Cl)c1	579523194	LDRUTJQCGGJKID-UHFFFAOYSA-N	405.885	5.639	30	20	HKED	
CC(C)c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	588349128	XRLOWYZJUXAMSX-GFCCVEGCSA-N	422.362	6.187	30	20	HKED	
N#Cc1ccc(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cc1Cl	589138523	QIFNXMJGGWDVIY-UHFFFAOYSA-N	413.662	5.096	30	20	HKED	
N#Cc1ccc(CNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1	603596165	PNKPPGSVHXBVLM-UHFFFAOYSA-N	424.287	5.047	30	20	HKED	
CCCOc1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc2ccccc12	604135893	ZJSUEANSCOIBMR-INIZCTEOSA-N	420.419	5.258	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604254789	OSTPXCJQVKORHT-UHFFFAOYSA-N	422.488	5.283	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)N[C@@H](C#N)Cc2ccccc2)cc1OC	604474087	DBWXDNKLRDGPPO-RPWUZVMVSA-N	400.522	5.021	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccncc2)nnc1-c1ccc(Br)cc1	605076724	XSMVJGBNRYBVBQ-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
C[C@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1C(F)(F)F	607835273	OAZMESFWXIWPAG-VIFPVBQESA-N	407.276	5.152	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl	608917457	NEZOAXMLCZHWFQ-UHFFFAOYSA-N	416.905	5.134	30	20	HKED	
N#Cc1cccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)c1	609019099	ZRSUKFJJQSGFSJ-UHFFFAOYSA-N	400.825	5.181	30	20	HKED	
Cc1ccc(NC(=O)[C@H](NCc2ccc(C#N)cc2F)c2ccccc2)cc1Cl	609234762	LPVHITVDLANBAW-JOCHJYFZSA-N	407.876	5.129	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1	609428228	FSAGTEWEBPPTFA-OALUTQOASA-N	416.546	6.154	30	20	HKED	
CCCN(C(=O)c1cccc(CC#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F	609522348	BWRJPVIPXBPZSH-QHCPKHFHSA-N	405.448	5.068	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N[C@H](C)c1ccc(C#N)cc1)c(C)n2C1CCCC1	610195802	NQUTXTCGVFWKJN-MRXNPFEDSA-N	401.510	5.436	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)cc1Cl	611048188	UEYTZSLECPQFNY-GGAORHGYSA-N	419.887	6.113	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Br)cc1Cl)c1nc2cc(F)ccc2s1	611249154	SOIFARXBPAVENT-JTQLQIEISA-N	424.682	5.097	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1cccc(C(F)(F)F)c1	611376297	TUOWFAFLFUILSR-GJZGRUSLSA-N	421.488	5.389	30	20	HKED	
Cc1nnc(SCc2ccc(C#N)cc2Br)n1[C@H]1CCC[C@@H](C)C1	611492254	DCIPKLKCBUIXCC-WBMJQRKESA-N	405.365	5.264	30	20	HKED	
CN(c1ccccc1)c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	613403857	KILUQTZKLZNWNF-GOSISDBHSA-N	416.431	5.689	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nc2ccccc2o1	614439759	HIIOVMJUFYDRMA-CQSZACIVSA-N	423.291	5.809	30	20	HKED	
O=C(Nc1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618539744	PHPUEOVNUHGCGC-DTORHVGOSA-N	408.264	5.300	30	20	HKED	
C[C@@H](c1nnc(-c2ccccc2F)s1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	669930612	QTEPYHHQMCCGMH-INTQDDNPSA-N	413.362	5.078	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc2ccccc2s1	677793434	ULRAXUXJWWDLPH-LBPRGKRZSA-N	411.458	5.847	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	681000717	UNQSQGPPVQWJJP-NZQKXSOJSA-N	411.590	5.304	30	20	HKED	
O=C(O)C(=O)/C(=C/c1ccc(-c2cccs2)cc1F)c1ccc2ccccc2n1	728156570	JVRLRHCKPVPWNN-SFQUDFHCSA-N	403.434	5.297	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2\COc3c(Br)cc(Cl)cc3C2=O)cc1	728697634	UJXHFQWZEDYWMH-XXLSNGBASA-N	418.674	5.052	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OCC(C)C)cc3)n2)cc1	730396467	QKEBEEFXBBJPPU-NRFANRHFSA-N	404.535	5.572	30	20	HKED	
C#CCOc1ccccc1[C@H](C)OC(=O)CCc1ncc(-c2ccccc2Cl)o1	730426403	ZUTCGFNALCNXDO-INIZCTEOSA-N	409.869	5.244	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	731400857	VVIWZHMSKIUKAL-VGSWGCGISA-N	409.555	5.058	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OCc3ccccc3F)cc2)c1	733800088	GWPFDZXKAYDWIX-QFIPXVFZSA-N	404.485	5.375	30	20	HKED	
CN(C)Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2ccccc12	733920758	LDQDXBBUDBFDKS-JOCHJYFZSA-N	409.489	5.402	30	20	HKED	
C=CC[C@@H](NCc1csc(-c2cccc(Br)c2)n1)c1ccncc1	734510715	YWMDRTRPMSEARH-GOSISDBHSA-N	400.345	5.375	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(F)c1	734964497	AZPUWOHPWPURGG-IAQYHMDHSA-N	406.404	5.824	30	20	HKED	
O=C(Nc1cccc(SC(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	735364997	GFSIGIKTDUNFLT-UHFFFAOYSA-N	408.314	5.350	30	20	HKED	
CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	737807648	PRHRACXXUGBZFZ-UHFFFAOYSA-N	412.493	5.082	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2(c3cccs3)CCCCC2)c1	740062371	TXZWRYQBIQLGFY-LJQANCHMSA-N	411.571	5.130	30	20	HKED	
COc1cc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)c(SC)cc1OC	741165669	QJELRBJTHXQHKC-NYYWCZLTSA-N	423.303	5.150	30	20	HKED	
Cc1c(C(=O)O)oc2c1C(=NNc1nc3cc(C(F)(F)F)ccc3s1)CCC2	743444206	HFVFOGYSEYJCCU-UHFFFAOYSA-N	409.389	5.067	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2SCCc3ccccc32)cc1	749613205	QJNCAHPIXJKTSZ-RPWUZVMVSA-N	413.546	5.494	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Cl)ccc1Br)c1ccc2ccccc2n1	751154633	WHMFWOSQBXJXPM-MRXNPFEDSA-N	413.702	5.460	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1	752165961	NTDPYDUCIOEFKB-HLRDLLSLSA-N	423.419	5.753	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1C#N	752195905	KYRODZAFOCWWAX-UHFFFAOYSA-N	405.479	5.416	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cc(SC)c(Cl)cc2Cl)cc1C#N	752203299	DCQQVMSMOHOEOH-UHFFFAOYSA-N	424.309	5.408	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NOc2ccccc2C(F)(F)F)cs1	754710950	ZZYLFNFNJGMQAL-UHFFFAOYSA-N	423.391	5.399	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	757758913	AYERLHFPQATSNW-SFHVURJKSA-N	407.857	5.071	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1OCC#N	761673535	JBVHQOURXGNYSQ-MRXNPFEDSA-N	409.486	5.585	30	20	HKED	
CCCCOc1ccc(/C=C\C(=O)c2cc(Br)ncc2F)cc1OC	762422739	LZWJBEVEAIFDSC-ALCCZGGFSA-N	408.267	5.067	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1	767752260	UFUHJZYXOKGGBY-CQSZACIVSA-N	414.289	5.058	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)c1OC	768156663	QSVAOWQUCGQKIU-JOCHJYFZSA-N	414.505	5.029	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1NC(=O)OC(C)(C)C	772049543	ZRKOWDNZBOWVPX-UHFFFAOYSA-N	405.498	5.019	30	20	HKED	
COc1cc(C=NOCc2cccc(NC(=O)OC(C)(C)C)c2)ccc1OC(C)C	775678200	XBMGLPNEVPMWMH-UHFFFAOYSA-N	414.502	5.380	30	20	HKED	
C[C@H](OC(=O)Cc1ccccc1CC#N)c1ncc(-c2ccc(Cl)cc2Cl)o1	777158822	OLNXTCPAFRPNGW-ZDUSSCGKSA-N	415.276	5.561	30	20	HKED	
C=CCC[C@@H](NCc1cc(=O)oc2cc(O)ccc12)c1ccc(C(F)(F)F)cc1	777725536	JCSIZEGLHIWGSX-LJQANCHMSA-N	403.400	5.315	30	20	HKED	
C#CCCCCCC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21	779931823	SHBFNWKDARLCKE-UHFFFAOYSA-N	407.489	5.333	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C	781074717	IVNZGZOHEYLMDP-OAQYLSRUSA-N	410.518	5.549	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	782569927	DUWYPOLOESMSAR-LBPRGKRZSA-N	408.807	5.320	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccccn3)C2)cc1Cl	799207743	KJRDSFPTDKRFLX-NQIIRXRSSA-N	416.912	5.412	30	20	HKED	
CC(C)(C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc(C#N)c1	803113961	UZNZNJUFPGYWIK-INIZCTEOSA-N	404.407	5.010	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2coc3ccc(C(C)C)cc23)cc1Cl	805856555	XRMLJSFXOKUPEO-MRXNPFEDSA-N	410.857	5.179	30	20	HKED	
Cc1ccc(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	914706799	JIAMBNSNWJKXOA-UWVGGRQHSA-N	402.379	5.330	30	20	HKED	
COC(=O)c1sc2ncc(C(C)=NNc3nc(-c4ccccc4)cs3)cc2c1C	914773467	VEDOYTXDZBNUNL-UHFFFAOYSA-N	422.535	5.351	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1F	916135932	ZFVWUVPMFQHECC-RMKNXTFCSA-N	416.202	5.653	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916931377	JVMPPWLYVCYWAU-OAHLLOKOSA-N	407.322	5.455	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COc2c(Cl)cccc2Cl)cc1	916955581	RUMKQRBYGVIYPR-CJNGLKHVSA-N	419.308	5.233	30	20	HKED	
CCc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917045689	ZXQLADSORHONLU-INIZCTEOSA-N	402.441	5.687	30	20	HKED	
N#C[C@@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc2cc(Cl)ccc2s1	917046955	YEZBKBNFMJFEQX-HNNXBMFYSA-N	422.897	5.199	30	20	HKED	
CCCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	918476063	ANJRNLVLUXYHKZ-XMMPIXPASA-N	417.553	5.099	30	20	HKED	
N#CCOc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	920004428	JWFFAFVHVSKPDC-NRFANRHFSA-N	411.288	5.415	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1	1286622843	KXTFDKJPFYLFND-UYAOXDASSA-N	414.981	5.000	30	20	HKED	
C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5ccc(C)cc5s4)CC3)C2)C1	1804785685	NNJVROTYOGOMCN-UHFFFAOYSA-N	422.594	5.021	30	20	HKED	
C=CCSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1	6140697	HAOHRRCDKDYBNJ-UHFFFAOYSA-N	410.593	5.507	30	20	HKED	
COc1ccccc1-n1c(SCc2cc(C#N)ccc2F)nnc1-c1cccs1	9967499	GAHIPGLCZNGBEJ-UHFFFAOYSA-N	422.510	5.307	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2ccc(C#N)cc2)C(=O)c2ccccc2)c(Cl)c1	18065110	WAJGNUILQAQSET-KGENOOAVSA-N	414.892	5.734	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccccc1Cl	22730359	WOVFPMVPPGQFLT-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(Cl)c2)cc1	23604076	WADDJOWSFBAUNB-UHFFFAOYSA-O	412.966	5.186	30	20	HKED	
CCCCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc(C)c1C	26122105	RMXMHPYPVNIWKZ-SFHVURJKSA-N	424.595	5.392	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1	29150364	NYLIGHODKIRRMU-UHFFFAOYSA-N	400.478	5.084	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc(C(F)(F)F)cn1	48828925	INWRYPJBMDFZCJ-CYBMUJFWSA-N	407.804	5.367	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(COc2ccc(C#N)cc2Cl)cs1	54915487	PREIWNJORCVNAO-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)n1C(C)C	65504414	JVEIBLYFGIXJCM-UHFFFAOYSA-N	400.482	5.062	30	20	HKED	
N#Cc1c(CSc2nnc(-c3ccco3)n2C2CCCCC2)cn2ccccc12	105422050	GSUUROXWXHCFLN-UHFFFAOYSA-N	403.511	5.460	30	20	HKED	
C=CCN(C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)c1nc(-c2ccccc2)cs1	106196757	ODGAALHNHPKXTJ-UZLBHIALSA-N	417.534	5.237	30	20	HKED	
N#Cc1cc(N[C@@H](c2cccc(Cl)c2)c2ccccn2)nc2ccc([N+](=O)[O-])cc12	301683979	WEWWQFRPWLDGQS-QFIPXVFZSA-N	415.840	5.265	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)c1	303126419	BDZKMVNLUFCJEF-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	303568756	YARRARGVIULOIL-OALUTQOASA-N	405.404	5.074	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCCCC[C@H]3c3ccncc3)c2)cc1	303632533	OYXJKDLYZMKTEP-VWLOTQADSA-N	411.505	5.290	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CC(F)(F)F)c1ccccn1	409616833	HEKPJSQNOPEYSN-UHFFFAOYSA-N	416.243	5.328	30	20	HKED	
COc1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1NC(=O)C1CCCCC1	428899031	FDIGTIKWTNNHBO-UHFFFAOYSA-N	414.550	5.008	30	20	HKED	
Cc1cnc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	429094384	DBWLZEHIKUZKPU-KSSFIOAISA-N	410.930	5.643	30	20	HKED	
C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1	429173398	NHARFXBFNNUXRD-YCRPNKLZSA-N	419.916	5.807	30	20	HKED	
N#CCCC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1	431641731	WYANKUKTLLASHZ-INIZCTEOSA-N	417.745	5.360	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(Br)c1	431964991	DWTGFUBXPOWDEM-MJGOQNOKSA-N	412.331	5.370	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1	432766538	QGIARPYCSUACIJ-QHCPKHFHSA-N	415.537	5.260	30	20	HKED	
CCCc1c(NC(=O)N(C)Cc2cc3ccccc3o2)cnn1-c1cccc(C#N)c1	439670181	HKGZFKKTNDIPRW-UHFFFAOYSA-N	413.481	5.107	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nc2ccccc2o1	442686585	XAFBRGVOQCNDAI-HNNXBMFYSA-N	423.255	6.417	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC=C(C)C)c3)n2)cc1	442860793	LWEKYBDYLVCSPQ-NRFANRHFSA-N	418.518	5.654	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2SC[C@H](C)C#N)cc1	446625262	QYFKLFNRLLKSSN-GCJKJVERSA-N	423.582	5.113	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1Cc2ccccc2-c2ccccc2C1	460775051	ZZSUSSBNZJOORJ-FDDCHVKYSA-N	400.526	5.139	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1cccc(O)c1	460798819	XKJJOOCTRBRDGW-TZYHBYERSA-N	418.541	5.002	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CNc1c(C)cccc1C	461091910	WNRRHLKRSZKCKO-UHFFFAOYSA-N	401.485	5.268	30	20	HKED	
Cn1cc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C(F)F)n1	462903358	PRDOESYTSZKBOC-GFCCVEGCSA-N	401.301	5.160	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccoc1C(F)(F)F	463947327	CRGQJJHNJLFIAV-UHFFFAOYSA-N	408.323	5.575	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1ccoc1C(F)(F)F	464052447	QFCLEYCPEZUTLK-UHFFFAOYSA-N	419.293	5.927	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	464725971	PTJADKWPTAEJRR-CBGDNZLLSA-N	411.546	5.242	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(C(C)(C)C)no1	464912660	PWJWCVZIRAJZHE-ZDUSSCGKSA-N	424.888	5.175	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)c3ccc(OCc4ccccc4C#N)cc3)co2)cc1	465195618	MZCFDVDETMYENI-UHFFFAOYSA-N	423.472	5.031	30	20	HKED	
C=CCCN(C)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466959531	KRTHBWYJJRVCEY-CYBMUJFWSA-N	408.365	5.160	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1	469429813	IPXXQQJZZGRINY-SSEXGKCCSA-N	421.566	5.245	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(OC)c(Br)c(OC)c1	469929272	NZTLZKOMGZRNOR-UHFFFAOYSA-N	419.319	5.077	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)o1	472717219	ZTSLBCFKGGQFDP-NRFANRHFSA-N	405.454	5.070	30	20	HKED	
CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1C1CCCC1	475489659	YAAXLTDIMDJHSF-UHFFFAOYSA-N	414.509	5.264	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	475585246	AQDDKSSERZAOEP-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nc(CC)n(-c2ccccc2Cl)n1	476114469	XYJDTXYGXNPVBZ-UHFFFAOYSA-N	408.933	5.587	30	20	HKED	
C[C@@H](NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1	480251441	LCXSPMQIHQKLGF-FOIQADDNSA-N	401.432	5.575	30	20	HKED	
C=CCOc1ccc(CN(CC2CCN(C(=O)C(C)(C)C)CC2)C(C)(C)C)cc1	480573198	CQFNFURECVHCER-UHFFFAOYSA-N	400.607	5.137	30	20	HKED	
CC(C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccnc1	480655118	SJFIZHYNULCLLL-UHFFFAOYSA-N	405.885	5.102	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2F)c1	481683378	HVQYXLLXNPQALW-OAQYLSRUSA-N	421.497	5.707	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOC3(CCCC3)C2)cc1Cl	483046614	FCVQRVJTBZPONE-FQEVSTJZSA-N	409.917	5.172	30	20	HKED	
CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	483481094	HHFPQDOFSLPLRE-IRLDBZIGSA-N	423.582	5.517	30	20	HKED	
Cc1nc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)sc1SCC#N	486035723	IQIQLFGUMDFCIC-GKUGFIGPSA-N	415.506	5.155	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)Nc2cccc(OCCCC#N)c2)c1	486879751	MTRLDEVPRZSDRO-UHFFFAOYSA-N	414.893	5.405	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(OC(F)F)cc2)cc1	488015787	UHBGIOBOQVUDAT-UHFFFAOYSA-N	410.395	5.141	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)cc3C)o2)cc1	489795581	XOJRRMSDDXVJNA-MRXNPFEDSA-N	409.511	5.038	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	492246806	WPNZNOXPCYATEU-HNNXBMFYSA-N	403.529	5.413	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1	494076683	CXVLGGNWVDEUSN-YFVAEKQCSA-N	409.555	5.340	30	20	HKED	
C=CCN(C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc2c(s1)CCCC2	500306989	RAIHACBYASWUOH-UHFFFAOYSA-N	415.971	5.632	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	500333962	VWKKMXHZMKOFDT-RTWAWAEBSA-N	400.444	5.365	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2c[nH]c3ncccc23)nnc1-c1ccc(Cl)cc1	502141307	ZGOYTANROSKMTF-CYBMUJFWSA-N	423.929	5.024	30	20	HKED	
CC[C@@H]1C[C@@]1(NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C)c1	502561847	WRNFPKNWDXFLFK-GLDPYIMESA-N	407.583	5.100	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2	509226543	WXSBCYDHKJCCIW-ICFOKQHNSA-N	401.897	5.361	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1	510304725	DSHNXBNDBVDGRO-MRXNPFEDSA-N	405.885	5.622	30	20	HKED	
C[C@@H](C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(F)c(F)c1	511705312	VFZRIPZOYLUJFP-RFAUZJTJSA-N	409.301	5.090	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1	515756393	BGZZXMHGSDCVEE-QGZVFWFLSA-N	419.912	5.538	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(C)C)c(OC)c3)n2)cc1	516270411	XNQHDPLBYKEMMP-SFHVURJKSA-N	422.506	5.105	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	520736711	LKRHDESKYUCPNN-HXUWFJFHSA-N	405.841	5.464	30	20	HKED	
CC(C)OCc1cccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	522311439	KEDNSMLETQRWTI-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Br	524385534	DFZUAPLTBBJPSQ-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cccc(COC(C)C)c2)cc1OC	524457963	VYPMNLHLCVJRDF-UHFFFAOYSA-N	420.347	5.560	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	524829863	UBFSPLBOHKLRBE-JOCHJYFZSA-N	400.482	5.751	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	537900203	NMZJYBOCHFUYOG-GOSISDBHSA-N	416.546	6.399	30	20	HKED	
COc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1NC(=O)C1CCCCC1	539623110	VVJFKVNDJBUBAP-UHFFFAOYSA-N	417.509	5.021	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	539754747	JHUQVVPELHINMV-QWHCGFSZSA-N	424.492	5.199	30	20	HKED	
Cc1sc(NC(=O)CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C#N)c1C	542943975	VMPIMVHJPBNPRL-INIZCTEOSA-N	414.534	5.065	30	20	HKED	
C[S@@](=O)Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	547230765	HUPHPAADOQSFSM-GDLZYMKVSA-N	424.909	5.135	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)c1ccc(F)cc1	554932513	WQBVZKYENBLTTB-WTNAPCKOSA-N	406.505	5.046	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C	556439527	WYUAQFSLOCUZCM-UHFFFAOYSA-N	417.303	5.770	30	20	HKED	
FC(F)(F)c1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc1	560166094	GCFJCWAQGORXLA-ZDUSSCGKSA-N	402.260	5.512	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	562084955	QCKQDOAGLUCMQT-KDOFPFPSSA-N	403.404	5.114	30	20	HKED	
N#CC[C@H](CC(=O)NCC1(c2ccc(Br)s2)CCC1)c1ccccc1	563294194	CFINIOKQHYFSBZ-MRXNPFEDSA-N	417.372	5.136	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)Nc1ccccc1SC[C@H](C)C#N	580484144	BLODTXWWIVUTAA-QGZVFWFLSA-N	411.571	6.288	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc4c(cnn4C(F)F)c3)cc2)ccn1	589364552	FKIDFBWJRARJHC-UHFFFAOYSA-N	420.379	5.134	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c1	589741356	BSLONYOGIREGGD-UHFFFAOYSA-N	407.445	5.290	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	590031929	IWJDORJUASCWSB-HZPDHXFCSA-N	404.297	5.043	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1ccc(F)cc1F	603054182	LUVOCLFITQBZHF-FIVVSHIGSA-N	415.324	5.094	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	603673426	VLNXMPPRUJYOPW-FQEVSTJZSA-N	420.896	5.655	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(C)c1	604086950	UYVAJRKFQYMXDX-GOSISDBHSA-N	400.482	5.587	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OC1CCC1)c1nc2cc(C(F)(F)F)ccc2s1	605362808	VGLABSSDCNCNQT-OAHLLOKOSA-N	416.424	5.736	30	20	HKED	
Cc1cccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)c1	609105487	ZTDHCNLUNCPCJQ-UHFFFAOYSA-N	400.453	5.255	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3SCCC#N)o2)c(C)c1	609375425	OZWXWICWQHRMDG-UHFFFAOYSA-N	406.507	5.734	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OC2CCCCC2)nc1	609398846	XYCYQDZAAVITPM-QGZVFWFLSA-N	424.570	5.367	30	20	HKED	
CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1	609754247	IWDOXGFUELMFPT-HNNXBMFYSA-N	407.495	5.086	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(OCc4ccccn4)c3)c2)cc1	609986787	DFCUQHDSOVHKAS-UHFFFAOYSA-N	420.472	5.528	30	20	HKED	
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1Cc1ccccc1	610014876	YVVCZSJUEBPGGR-CVDCTZTESA-N	404.558	5.005	30	20	HKED	
N#Cc1c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)sc2c1-c1ccccc1CC2	610041509	UUEGRQPCISTXTG-UHFFFAOYSA-N	417.921	5.701	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)c1C	610053497	IGVAOJKJMXPMQD-ZEQRLZLVSA-N	406.489	5.256	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C3CCCC3)CC2)cc1C	610297975	DXABHHLLOTXTHD-UHFFFAOYSA-N	404.558	5.123	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1c1ccccc1	611837082	UXIDGFUKEPHHSG-HXUWFJFHSA-N	405.889	5.012	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	618808921	LLHKJYPVOYPWGY-SFTDATJTSA-N	407.926	5.349	30	20	HKED	
Cc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(Cl)cc1F	675294576	GFXTZZBNNVIERG-IUCAKERBSA-N	405.741	5.427	30	20	HKED	
FC(F)Oc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	678208161	MWDHVCYRWRLGDV-NXEZZACHSA-N	411.720	5.504	30	20	HKED	
N#CCCCOc1cccc(/C=C(/Cl)c2nc(O)c3ccc(Cl)cc3n2)c1	726741353	FDAQYLVWJBFEDH-GZTJUZNOSA-N	400.265	5.408	30	20	HKED	
O=C(Nc1cccc(/C=C2/CCOc3ccccc3C2=O)c1)c1ccccc1Cl	728441404	JKPSHXJNPXZYLA-VKAVYKQESA-N	403.865	5.641	30	20	HKED	
C[C@H](CC#N)N(C)Cn1nc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n(C)c1=S	728902275	NBFGGZRLMWLYBC-ZBFHGGJFSA-N	417.648	5.022	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	729891793	MQTYJRFCVCWJSS-QFPYFPQMSA-N	409.436	5.498	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)c(F)c2)cc1	730161191	WAVBYIJNGPQAJD-UHFFFAOYSA-N	406.482	5.566	30	20	HKED	
N#CCOc1ccc(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)cc1	731987630	ZBCRLINJACGSLP-QHCPKHFHSA-N	410.945	5.093	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1nc2ccccc2s1	733080444	NNTZTMKQTGGSQY-UHFFFAOYSA-N	414.416	5.003	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3-c3ccccc3C2)c1	733804290	BICOVOBKMGAYFD-JOCHJYFZSA-N	411.505	5.260	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccncc1	734360255	GVNSJFLQPDZABQ-FQEVSTJZSA-N	414.534	5.297	30	20	HKED	
C[C@H](Nc1ccc(OC2CCCCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	734850648	MABSMYOETLQFAP-HNNXBMFYSA-N	409.555	5.259	30	20	HKED	
CN(Cc1ccc(Cl)nc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	735114575	KHBHBEOZSKRJLD-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
N#Cc1cnccc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	735439385	UMSUMFBALBQZGC-UHFFFAOYSA-N	402.504	5.108	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1	735578479	JHZCZWKBNKEGBC-UHFFFAOYSA-N	424.476	5.241	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)C(C)(C)Sc1ccc(Br)cc1	736007971	ZMXHAYSWADJYBM-UHFFFAOYSA-N	419.344	5.229	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2ccccc2SCC#N)cc1	741727061	HCXNIUAZHFKWCI-QGZVFWFLSA-N	402.519	5.469	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1	744036784	IHCIWCQAMJRIGK-BLSFAOBESA-N	412.436	6.109	30	20	HKED	
CC(C)[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	744038707	ZVGRARFOVYJYKN-MAUKXSAKSA-N	402.441	5.931	30	20	HKED	
CC(C)CN(C(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(C#N)cc1	745687614	KTDGZUVTILSKCU-UHFFFAOYSA-N	401.535	6.210	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	745949814	BPNLLWNTGSWCBM-GOEBONIOSA-N	412.461	5.370	30	20	HKED	
CC[C@@H]1CN(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)CC[C@@H]1c1ccccc1	746417929	MQUAWFIWNJIAFU-BKULYWANSA-N	405.542	5.093	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1	747988846	HAYZPQYKFBOBEG-VQTJNVASSA-N	401.432	5.597	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4ccccc4Cl)n3)n2)cc1	748003562	CPHWWHVDLQUPOG-INIZCTEOSA-N	418.909	5.448	30	20	HKED	
Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)co2)cc1	749892859	AKSHMJHTAAGWFK-QINSGFPZSA-N	421.518	5.262	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)o1	751726095	KWJKGVGCRMRDLB-INIZCTEOSA-N	420.490	5.136	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCc1cc(C)sc1C	753396112	SSNWAXONBLZVLS-MRXNPFEDSA-N	418.946	5.006	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	754532817	DIERJBIDKZOYGA-ZWNOBZJWSA-N	401.438	5.063	30	20	HKED	
Cc1nc(COC(=O)c2cc3ccccc3n2CC#N)oc1-c1ccc(Cl)cc1	757065920	IBEBIZISAVIKPG-UHFFFAOYSA-N	405.841	5.139	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](OC(=O)c3occc3COc3cccc(C#N)c3)CCO2)cc1	757513154	QUALVZDOKHJCMC-GOTSBHOMSA-N	417.461	5.116	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NOCc2ccc(F)cc2)cs1	758143385	QNSOXHHDGSLKJO-UHFFFAOYSA-N	403.866	5.171	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1ccc(Cl)nc1	758985295	DKGMCIRIDTZVCX-UXBLZVDNSA-N	403.869	5.146	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1	759743517	AUMOTTGKMHPRBD-UHFFFAOYSA-N	402.454	5.237	30	20	HKED	
C[C@H](OC(=O)c1ccccc1CC#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761064617	IGAOGMXKXAHXMD-NSHDSACASA-N	402.237	5.027	30	20	HKED	
COc1ccc([C@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1Cn1cccn1	774475552	HJCSIGJOFDBFSR-FQEVSTJZSA-N	422.532	5.329	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(F)c2F)cc(Br)c1OC(F)F	776268046	KLSKLKKYFPXOSV-AATRIKPKSA-N	419.168	5.233	30	20	HKED	
C=CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl)c1ccccc1	778559717	TVYRRAJXZHHBAS-CZUORRHYSA-N	407.297	5.009	30	20	HKED	
CCn1c2ccccc2c2cc(NC(=O)CNc3ccccc3O[C@@H](C)C#N)ccc21	779741878	NHFIDWKGBZLXKE-KRWDZBQOSA-N	412.493	5.156	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Br)c1Cl)c1cccc(Cl)c1Cl	780022807	HSYWBYITHSIZBS-GFCCVEGCSA-N	418.505	5.404	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1OC	780165564	HIRFEHWSIDHNPL-CQSZACIVSA-N	402.878	5.071	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nccc2ccccc12	792098020	ZVLMTACGFYHFNY-ZNZIZOMTSA-N	418.496	5.794	30	20	HKED	
CC(C)O[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	796766702	ZCZPSHODZNTELY-NQIIRXRSSA-N	410.926	5.806	30	20	HKED	
CC(=C/c1ccccc1C(F)(F)F)/C=C/C(=O)c1ccc(C(F)(F)F)nc1O	799891289	MSROMZBRCYRUON-PRNVZQMKSA-N	401.306	5.667	30	20	HKED	
CC(/C=C\C(=O)c1ccc(S(C)(=O)=O)c(F)c1)=C\c1ccccc1C(F)(F)F	799891350	CTCNUPHGNVEPRG-OJNBOFHUSA-N	412.404	5.090	30	20	HKED	
C[C@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccccc1-c1ccccc1	803833902	JORZVQDEIQANEH-HNNXBMFYSA-N	404.853	5.063	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc2cc(F)ccc12	805855957	PXRNESIXPWFOQO-CYBMUJFWSA-N	404.825	5.103	30	20	HKED	
CCCc1c(N[C@@H](C)c2ccc(Br)nc2)cnn1-c1cccc(C#N)c1	810237328	BNZSOMYCYZENCL-AWEZNQCLSA-N	410.319	5.027	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(Cl)o1	814729583	XFGDYJRCMNLNHN-UHFFFAOYSA-N	404.278	5.215	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	817319698	RFLMRHGXHVRWLY-FQEVSTJZSA-N	407.514	5.507	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915086913	YGRLKHLKCIRUCJ-GAZXMLTASA-N	409.489	5.189	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916680602	LODLKIJDKMIFDL-JOCHJYFZSA-N	424.331	6.313	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1	916954816	KUDCRYDQTUYJNT-KKSFZXQISA-N	415.493	5.054	30	20	HKED	
CC(C)(C)c1ccc([C@@H]2CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	917143556	KHKLICVXBWCPQC-GMAHTHKFSA-N	424.548	5.358	30	20	HKED	
COc1cc(C)ccc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(F)cc2)n1	917559280	GWJNJAFPLRQNDJ-XFFZJAGNSA-N	410.470	5.180	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(C)n1Cc1ccccc1	918565987	LLCOEQUFEWAYKM-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
CCCOc1ccc2c(c1)C(=O)/C(=C/c1cc3cnn(C(C)C)c3nc1Cl)CO2	920069569	UNFZWDKWJICGNA-CXUHLZMHSA-N	411.889	5.113	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1819311308	UWDJCPKQZDRPRQ-MLSYTQOQSA-N	424.589	5.141	30	20	HKED	
CC(C)c1ccc(Nc2nnc(SCC(=O)N(CC#N)c3ccccc3)s2)cc1	10318298	XLHKSOFOQYZPPA-UHFFFAOYSA-N	423.567	5.054	30	20	HKED	
COc1ccc(-c2cc(CSc3nc(C)cc(C(F)(F)F)c3C#N)on2)cc1	11396634	WSZGVVCGXUWSKM-UHFFFAOYSA-N	405.401	5.236	30	20	HKED	
C=CCc1cc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc(OC)c1OC	18230694	GLNIJXFFKMMHFU-UHFFFAOYSA-N	417.461	5.593	30	20	HKED	
Cc1c(C#N)c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2c1CCC2	22121188	XBNZETDWDJOVBN-UHFFFAOYSA-N	407.583	5.728	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)C(C)C)cc3)n2)cc1	41511309	WUWLXXUUQAZOFW-LJQANCHMSA-N	403.507	5.203	30	20	HKED	
N#Cc1ccc(NC(=O)CSc2nc(-c3ccco3)nc3ccccc23)cc1Cl	45669822	LHAFUBMVCHKTOM-UHFFFAOYSA-N	420.881	5.146	30	20	HKED	
O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)F)cc1OC(F)F	47252078	FZPNTKVPFAOMBV-UHFFFAOYSA-N	411.273	5.089	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	58884395	VUIRODHGJGZABV-UHFFFAOYSA-N	400.482	5.551	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3n[nH]c4ccccc34)cc2Cl)cc1	65113773	ZXQVSIROHHSDGL-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1Cl	109319845	MHACUWDJGUZTSZ-JOCHJYFZSA-N	424.891	5.705	30	20	HKED	
Cc1c(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)sc2ccc(C#N)cc12	429895221	JJZBDNQISNGXFL-UHFFFAOYSA-N	424.953	5.213	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21	431216141	LXBMVRTZZFRLHU-VGSWGCGISA-N	405.567	6.155	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3cccc(SCC#N)c3)cc2c1	431321321	BZOWARUKVNSRQW-UHFFFAOYSA-N	416.502	5.793	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nc2cc(Cl)ccc2s1	435442263	KGUKRXHLXCYUDV-OAHLLOKOSA-N	420.881	5.367	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	437226458	HERGWBLALLQNCR-NSHDSACASA-N	409.389	5.118	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](COCc2ccccc2)C1	438078254	MYMYCNWDSUPTAR-UYAOXDASSA-N	409.555	5.009	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)cs1	438856699	LNWYOSMNGJOACM-IERDGZPVSA-N	404.539	5.524	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1	439319259	RXRAVHDZTSYNRV-JOCHJYFZSA-N	412.493	5.414	30	20	HKED	
Cc1ccnc(Oc2cc(N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)ccc2C)c1	439627084	ZYJIJAXBDUTAJO-FQEVSTJZSA-N	414.509	5.238	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)cc2OC(F)F)c2ccccc2OC)cc1	443469728	YBRINPRJZQVZKM-QHCPKHFHSA-N	424.447	5.056	30	20	HKED	
CC(C)c1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccccc1	444281373	LVKFXUJVTMAKRQ-UHFFFAOYSA-N	411.509	5.506	30	20	HKED	
CC(=O)c1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	444444071	YPBKGVDSOXIBNC-INIZCTEOSA-N	421.312	5.471	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)N1CC=C(C(F)(F)F)CC1	446425576	SVGCHWTUVIPSSJ-UHFFFAOYSA-N	418.284	5.076	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(CCOCC2)[C@H]1C	460964622	VCOQISRMOHWFID-OAHLLOKOSA-N	421.372	5.223	30	20	HKED	
CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	461875442	HPFHNFOKJZYTCJ-RBUKOAKNSA-N	408.571	5.071	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2)cs1	463776542	QABPMDBABJDNCP-MRXNPFEDSA-N	402.306	5.420	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N	464457829	XMXBRAQKTHENTG-MRXNPFEDSA-N	402.498	5.102	30	20	HKED	
Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2o1	464475429	NGFDJHMELBNZOY-ZDUSSCGKSA-N	423.188	5.408	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC(=O)Nc1c(Cl)cccc1Cl	464822510	MXKSBSANOITXJB-LPHOPBHVSA-N	402.325	5.094	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3ccc(F)cc3)c3ccccc3Cl)o2)c1	471606616	OJWUUYYTSFQFBP-QFIPXVFZSA-N	418.859	5.280	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	474432806	LFAKTVJVXOAZEF-LJQANCHMSA-N	417.559	5.921	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)oc2ccc(Br)cc12	474433860	QWNQDOYWWPWYBY-ZDUSSCGKSA-N	403.301	5.574	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1	476138627	HIDJLXWZKNTYRI-UHFFFAOYSA-N	419.525	5.559	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N[C@@H](c2ccccc2)C(C)(C)C)nnc1-c1ccco1	480503611	TXNRJFBTJVDCFJ-FQEVSTJZSA-N	424.570	5.110	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cnn1-c1ccccc1Cl	483219016	JFSILPGSBOWPJN-OAHLLOKOSA-N	415.884	5.082	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)C[C@H](CC#N)c2ccccc2)n1	483825225	VLANRJHYHZYDLJ-KRWDZBQOSA-N	422.916	5.615	30	20	HKED	
CC(C)c1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1	487047152	UMCSYRFANOCDTH-FYYLOGMGSA-N	413.525	5.299	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1	501322563	LZRGLHXUGVQQDG-FQEVSTJZSA-N	401.470	5.066	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(F)cc4cccnc34)c2)cc1	502349951	BGLYDGBRNJBPRE-UHFFFAOYSA-N	411.436	5.271	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	503153697	UANGYJSMQWEUPO-AWEZNQCLSA-N	415.540	5.601	30	20	HKED	
CC(C)c1noc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)n1	503358061	HMBDLMIJKYZUOP-UHFFFAOYSA-N	403.486	5.174	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2c1	504600548	XWFPUUQRFDASQS-QGZVFWFLSA-N	411.383	5.025	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	505207082	KJKRCRKHHKFDBF-UHFFFAOYSA-N	403.935	5.056	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc1C(F)(F)F	506576933	KUNRPYUTSZNRLF-SFHVURJKSA-N	417.435	5.088	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](c2nccs2)C1	508866456	ZYWZBWQNWTXCDR-RTBURBONSA-N	423.586	5.061	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	509997899	LHKIGIXFFHLRGF-ZDUSSCGKSA-N	412.852	5.443	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2F)c1	510856900	MBMUXNBSLDUEJE-UHFFFAOYSA-N	405.816	5.054	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Br)cc1C	511163792	ZVUBTVUEHBXITO-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
CCN(C(=O)Cc1c(F)cccc1C#N)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	512320368	QLRRRPMLMVFSAP-AREMUKBSSA-N	415.512	5.396	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(F)c(F)c2)cc1Cl	513194167	MJDNKUHWWMLQOX-SFHVURJKSA-N	411.839	5.595	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccccc4)s3)n2)cc1	517800693	BMGRRTSLORIMKQ-QGZVFWFLSA-N	417.515	5.432	30	20	HKED	
COc1cc(Cl)ccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	520088345	NYGDMWZITDJAEE-LBPRGKRZSA-N	404.825	5.240	30	20	HKED	
N#Cc1c(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)sc2c1-c1ccccc1CC2	521608934	IWYWTOFGIBJDGE-UHFFFAOYSA-N	420.444	5.452	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1Cl	521678859	UWNDNXMFMHBOIG-UHFFFAOYSA-N	409.820	5.411	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	521886360	TWKAUNZHJFHHHU-VBQJREDUSA-N	424.125	5.240	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CCCCOc1cccc(C#N)c1	521954076	BMUZUXRTDGDZSJ-FQEVSTJZSA-N	418.562	5.959	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	523510660	UPRWYFHPZXCZRF-INIZCTEOSA-N	407.495	5.349	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C	524413462	GKWLRIQPRBCGRM-SFHVURJKSA-N	416.477	5.033	30	20	HKED	
C[C@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1F	530492896	OAOXLVDFSPHBBS-NYHFZMIOSA-N	424.317	5.489	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCc2ccccc21	533256615	YXUNGFUQCZAYKV-AVRDEDQJSA-N	407.583	5.276	30	20	HKED	
CC(C)c1cc(Br)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1	534812283	VUBJGJLBNPAXHE-SFHVURJKSA-N	400.320	5.739	30	20	HKED	
CCC(CC)n1nc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1C	537344085	OVOVYYVPIGXXNB-UHFFFAOYSA-N	402.498	5.256	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1	537372187	ZZEABTJEALPTKO-RTWAWAEBSA-N	423.523	5.023	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(C(F)(F)F)cc3Br)CC2)c1	537439812	KXQJYJOYXXKOJT-UHFFFAOYSA-N	409.205	5.010	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SC4CC4)cc3)n2)cc1	543059110	PUBSSMFMPYYUTL-LJQANCHMSA-N	406.532	5.563	30	20	HKED	
COC(=O)COc1ccccc1[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543426450	AGMRSSLGRUZSDZ-OALUTQOASA-N	414.505	5.189	30	20	HKED	
C[C@@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-c2cccc(C#N)c2)cc1	543870577	GUFCQTXPIBCPEV-OAHLLOKOSA-N	416.431	5.404	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@H](c2ccc(F)cc2)c2ccccn2)CC1	544379903	PNJZHQGHXCZNGE-XUNZJTMSSA-N	401.485	5.162	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	549063088	CIZIEOKONMLZGV-NOZRDPDXSA-N	410.521	5.285	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1	549184752	LLYRRZFHCFTQQF-UHFFFAOYSA-N	409.873	5.356	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc3cccnc23)cc1Cl	552142077	IIKBYTABPCMVEX-QFIPXVFZSA-N	411.892	5.725	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)NC1CC(C(F)(F)F)C1	554472637	CJXGHAOZJGGMGM-UHFFFAOYSA-N	424.263	5.109	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1c(F)cncc1F	557785808	NIYMRYTYJPJQKU-AWEZNQCLSA-N	409.461	5.015	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1	558278405	PSCMAXVEHBVOCS-UHFFFAOYSA-N	404.489	5.520	30	20	HKED	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cccc(OCCCC#N)c1	559998330	RTGNDSFXPRFKQB-UHFFFAOYSA-N	405.542	5.162	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1	563246713	AQNGFQSFFLBCNB-YCRPNKLZSA-N	417.937	5.694	30	20	HKED	
CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	566944293	HZRPGIXMRLQYJS-UHFFFAOYSA-N	411.465	5.281	30	20	HKED	
Fc1ccc(C2(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCOCC2)cc1	566981289	UMRVLEJSEFTREU-UHFFFAOYSA-N	421.356	5.659	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)cc1	577103113	XCROBNREWHNOLA-SFHVURJKSA-N	413.399	5.226	30	20	HKED	
C[C@]1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)OCCc2sccc21	583292481	LWLWGJQHWUROCK-HSZRJFAPSA-N	419.506	5.022	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cccc1-c1ncco1	590106576	FLFRXRVJIOFOQW-UHFFFAOYSA-N	411.421	5.353	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1	590469321	TWPKVWQMUDOVGM-UHFFFAOYSA-N	403.916	5.160	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCSc3ccc(F)cc3)c2)c1	603995828	OKQWZSMGFUHRGI-UHFFFAOYSA-N	419.481	5.071	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)cc1	609055757	QKQVQGAYTPESES-UHFFFAOYSA-N	421.667	5.943	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3c(-c4ccccc4)ncn3C3CC3)o2)cc1	609059566	MDPFUPJBSFLPSS-UHFFFAOYSA-N	424.460	5.181	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)c1	609063783	BNRVBIWJRXGTKE-UHFFFAOYSA-N	415.474	5.009	30	20	HKED	
CCn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2ccccc21	609072606	UNWJBMPHUIKKLP-UHFFFAOYSA-N	409.489	5.673	30	20	HKED	
COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	609222118	UDVOYOZFVPWQSD-ROUUACIJSA-N	415.493	5.037	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)o1	609378255	YQDRGGRXJJEDKL-MRXNPFEDSA-N	422.506	5.371	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc2ccccc12	609384920	UNCUASBXGXPINI-GOSISDBHSA-N	403.551	5.557	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2[nH]1	609503705	XCENAEBIILVZLO-OAQYLSRUSA-N	410.477	5.302	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)ccc21	609763759	KZLJOQAGIHNDIQ-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCOc3cc(F)ccc32)c1	609820122	KOCHWOFPNFUTGA-UHFFFAOYSA-N	408.816	5.182	30	20	HKED	
N#CC1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)CC1	610143623	TYBTYVMAKQNHBI-UHFFFAOYSA-N	411.371	5.127	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1SCc1ccco1	640563501	DWMDWUNSHFDMAT-UHFFFAOYSA-N	410.498	5.619	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(O)cc1	642720183	CXUONRIJPWYJBW-JTSKRJEESA-N	422.504	5.180	30	20	HKED	
Cc1ccc(C2CC(=NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)C2)cc1	729819413	JSNULAQGHPPCTL-UHFFFAOYSA-N	405.523	5.141	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cccc(O)c1	730149360	WAGUTENSVGPPOV-KTKRTIGZSA-N	400.297	5.483	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccccc1	730687478	XIIFMZCRGXEYHD-CUNXSJBXSA-N	406.485	5.794	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1	730688550	YWJMFEQKQGRLEC-BRWVUGGUSA-N	413.329	6.097	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)c(Cl)c1	731643105	CMCRUOZPIWWFSC-AWEZNQCLSA-N	418.505	5.404	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)c1ccc(F)cc1F	731723971	PDNNTUGWARJAGL-CQSZACIVSA-N	407.372	5.057	30	20	HKED	
Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)on2)cc1	732398952	RITBETJQPUOIGP-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C)c1ccncc1	734669619	SAABWECGGRHQQG-FXAWDEMLSA-N	406.555	5.500	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N	734738832	QTXYMSSDRGWASV-GJZGRUSLSA-N	410.470	5.201	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1	739142158	HAAJUMJVGBFSFV-UGSOOPFHSA-N	412.411	5.581	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cc(Cl)ccc2OC2CCCC2)cc1NC(C)=O	742435277	VBHZIVXLDQMNRD-YFHOEESVSA-N	413.901	5.525	30	20	HKED	
Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	743147107	PBARPDFCKGNTMN-RTBURBONSA-N	408.571	5.180	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1SCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	744038175	OUIPUDIUOUSHKD-KSSFIOAISA-N	418.465	5.522	30	20	HKED	
CC(C)c1nc(C#N)c(NN=Cc2cn(Cc3ccccc3)nc2-c2cccs2)o1	745625412	WALLMJJWFWFMSQ-UHFFFAOYSA-N	416.510	5.089	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1OC	746339709	CCPFNAXFZPHUDZ-RYLLTQLHSA-N	414.505	5.213	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)OC[C@H](C#N)Cc1ccccc1	750783919	URENQFPPBYKXRS-IBGZPJMESA-N	406.507	5.123	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1	753921093	ONEDBABLQZVAGC-IMRCBTMISA-N	402.947	5.624	30	20	HKED	
CC(C)[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1ccccc1C(F)(F)F	754900701	LSTAZUWZGSJYML-KRWDZBQOSA-N	424.806	5.051	30	20	HKED	
C(=NNc1ncnc2sc(-c3ccccc3)cc12)c1cnc([C@@H]2CCCO2)s1	755522115	VJTVPRARLZNPRU-INIZCTEOSA-N	407.524	5.112	30	20	HKED	
C/C(=C/c1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756531362	YPYFDRBGINIPNY-BLSFAOBESA-N	403.894	5.615	30	20	HKED	
C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)c1	756591381	VGHIBQQBOJDSGE-UHFFFAOYSA-N	403.551	5.452	30	20	HKED	
N#Cc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(Cl)c1	757393085	UTXWVJYCWJDDIV-HNNXBMFYSA-N	409.923	5.304	30	20	HKED	
CC(C)C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1cccc(C(F)(F)F)c1	760386572	LPWIEUHPACUTKP-HXUWFJFHSA-N	404.432	5.054	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2ccccc2)c1=S	762467873	SKWSGIXQDPAKLY-NRFANRHFSA-N	405.571	5.237	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	766580759	CJJXGLGSSZBZFF-KRWDZBQOSA-N	423.538	5.372	30	20	HKED	
N#Cc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)c(F)c1	772796683	KEAIWXLNLFJQBH-QPEQYQDCSA-N	413.886	5.873	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(F)c(Br)c2)ccc1OC	772985679	MBVPUMVBDDSBMY-CJNGLKHVSA-N	421.310	5.129	30	20	HKED	
Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1ccccc1-c1ccccc1C#N	773617890	CNTXFEVCIUICKO-AREMUKBSSA-N	419.484	5.263	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1	775150344	WCIIYUKGUNDINT-UHFFFAOYSA-N	417.925	5.206	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3cc(Cl)ccc32)ccc1OC	775411923	YKZHHBBPTIMQRH-HKUYNNGSSA-N	400.906	5.033	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C2SCCS2)c1	775471894	YXAOUEMAELUJIT-UHFFFAOYSA-N	411.017	6.100	30	20	HKED	
CC[C@H]1C[C@H](C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)CCO1	779760431	WZLYKJBXBQZBCE-PBHICJAKSA-N	415.946	5.126	30	20	HKED	
Cc1cc(SCC(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)cc1Br	780151346	MKZPREKFPRGYRD-AWEZNQCLSA-N	419.344	5.088	30	20	HKED	
COCOc1ccc(OC)cc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782382502	CAEJACFYNFESHM-SFHVURJKSA-N	402.494	5.067	30	20	HKED	
C[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782525536	ZBFPJPOGIRXUNW-HXUWFJFHSA-N	424.548	5.115	30	20	HKED	
CC[C@H](CN(C)C(=S)Nc1ccccc1C#N)Oc1ccc(Cl)c(Cl)c1	787195883	JADPNJCRWUJLEU-CQSZACIVSA-N	408.354	5.351	30	20	HKED	
O=C(OCC1(F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	789587028	OGJMAGIAGPEZBC-GNVUBMPBSA-N	402.350	5.154	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1	793309760	QTPBKMNVHCDAIY-IBGZPJMESA-N	401.535	5.337	30	20	HKED	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C1/C[C@H](C(=O)O)c2ccccc2C1=O	806560515	MPHSECXXAXNTGF-CHMLTUNVSA-N	414.505	5.067	30	20	HKED	
Cc1nn(C)c2sc(C(=O)/C=C\c3ccc4ccc(Br)cc4n3)cc12	806576474	BZYBBOKGOAZEPH-FPLPWBNLSA-N	412.312	5.150	30	20	HKED	
C[C@]1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)OCCc2sccc21	810158043	HCFQNNHFRIKWHX-GBXCKJPGSA-N	417.534	5.013	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(F)cc1F	814850249	FXMXXONNGHOHDU-UHFFFAOYSA-N	407.346	5.062	30	20	HKED	
COc1ccc2cc([C@H](C)OC(=O)c3cnc(C(F)(F)F)c(C#N)c3)ccc2c1	815474839	KAJSSJPDVSTIGY-LBPRGKRZSA-N	400.356	5.052	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1SC(F)F	914766466	KARVEAMPFBKHGE-BRPSZJMVSA-N	422.341	5.036	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1	915087406	UCSKLCXVUMEZGW-IBGZPJMESA-N	409.258	5.496	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1	916884344	BSEIIPAHBHTZTP-MRXNPFEDSA-N	415.301	5.683	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2c[nH]c3ccccc23)cc1	916914149	VXBXVVXBIXIIOW-JOCHJYFZSA-N	401.510	5.181	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3ccccc3)cc2)cc1	916914258	XTRXAGYACPDZOD-HSZRJFAPSA-N	414.530	5.502	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917044129	QJZZJUUFUFSWAP-QGZVFWFLSA-N	414.962	5.228	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2	919998837	MNDIQMQUNKXLBA-UHFFFAOYSA-N	416.502	5.013	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(C(F)(F)F)cc1	920113413	WISYJNYAJWAHKQ-IAQYHMDHSA-N	422.859	6.339	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4C4CC4)CCC3)cc2)C1	1785809103	PCPGQACDEKPZKE-UHFFFAOYSA-N	400.522	5.278	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)/C=C/Sc3ccc(C)cc3)cc2)CCC1	1789488927	BVBLFIZJGDTPED-SAPNQHFASA-N	406.551	5.311	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1	1791250616	XAHYCRBFRZOLSI-OAHLLOKOSA-N	407.539	5.189	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1)c1ccccc1	1791339484	IKCDVUGBSXAISD-IBGZPJMESA-N	415.537	5.008	30	20	HKED	
C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cccc2s1	1797651099	CZEWHJRHSBLOAT-JONQDZQNSA-N	416.974	5.019	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1C	8291701	XILPGOOQGGOIEA-UHFFFAOYSA-N	415.518	5.158	30	20	HKED	
C=CCc1cc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc(OC)c1OC	10579587	DRAIEKOXNXDIAR-UHFFFAOYSA-N	424.522	5.125	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)Nc2ccc(CC#N)cc2)c2cnn(C(C)C)c2n1	14527581	HXINEGWNCPBDLN-UHFFFAOYSA-N	409.493	5.306	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc2c(c1)CCCC2	15247400	OHFSESJAIUVVPV-UHFFFAOYSA-O	415.582	5.466	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccc(F)cc1	17704912	HEXHZVIODQIKKV-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(C)c2)c1	22729672	QLRJWWFFYYQDDA-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1/C(O)=N/c1nnc(-c2ccccc2)s1	25449623	VRKUQFFDGCDUCI-UHFFFAOYSA-N	412.927	5.927	30	20	HKED	
Cc1nc(-c2cccs2)sc1/C(O)=N/c1nc(CN2CCC[C@H](C)C2)cs1	28677765	MFKAXTXFRATEJH-LBPRGKRZSA-N	418.613	5.505	30	20	HKED	
COc1ccc(NC(=O)[C@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Cl	30449734	SSIGQPHJFCGHKD-WAIKUNEKSA-N	419.912	5.251	30	20	HKED	
C=CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	41512659	ULBQXVUNNGVFSD-SFHVURJKSA-N	404.491	5.182	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(-c2ccccc2)noc1C	46879936	MYLKPABATHJHIT-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3cc(C)nn3CCC#N)c3ccccc3n2)c(C)c1	109729046	OYSLSNPNQCSZNB-UHFFFAOYSA-N	409.493	5.190	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(OCC#N)c2)cc1	117299389	RFOPMEWIJYFBTG-UHFFFAOYSA-N	422.488	5.062	30	20	HKED	
N#CCCCOc1cccc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)c1	207565252	YFSSQXCMJNYTGO-CYVLTUHYSA-N	400.503	5.705	30	20	HKED	
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1F	303323910	UWUYPHXGIMEMLZ-CQSZACIVSA-N	424.501	5.007	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1	303416088	WOSQFGVUGHWUBJ-HLIPFELVSA-N	423.582	5.400	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)cc2)c1	303948545	YPGMLIANMXFYBN-IFMALSPDSA-N	404.416	5.158	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)c2sc3ccc(C#N)cc3c2C)cc1OC	429935379	CMCPLKQLGIKJHR-GOSISDBHSA-N	406.507	5.076	30	20	HKED	
COc1ccc(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)c(C(F)(F)F)c1	433259818	XMLQYHGKAMZPEG-CQSZACIVSA-N	410.289	5.120	30	20	HKED	
Cc1ccccc1COc1cccc(NCc2cn(CCC#N)nc2-c2ccncc2)c1	433317426	KZWORBWUSDZSNP-UHFFFAOYSA-N	423.520	5.358	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c3cnn(C(C)C)c3n2)s1	434021735	MHNMRUGLLIZSKB-FQEVSTJZSA-N	421.570	5.204	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1Cl	434147192	CQEHYCOVCIWTHS-KDOFPFPSSA-N	421.850	5.802	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCOC[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	435662170	IJVYCPGJLJKATG-GXTWGEPZSA-N	411.354	5.309	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(Cl)cc(Br)c2)cc1	437661808	KNGKZNYQLOSDAE-UHFFFAOYSA-N	407.695	5.062	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	438633037	FNSKGYUTPHQBBO-JTQLQIEISA-N	423.345	5.205	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(F)c1	445666127	USJJKYHNTZDKGN-UHFFFAOYSA-N	410.232	5.519	30	20	HKED	
CC(=O)N(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1	447128308	JUQOFKUCHGSDPW-MRXNPFEDSA-N	409.555	5.006	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1	447380799	FIKMVEINWCAEDZ-YLJYHZDGSA-N	403.551	5.631	30	20	HKED	
C[C@H](CCc1cccn1C)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	460470898	WPCJVVZAPSWSGF-MRXNPFEDSA-N	407.901	5.094	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1SCCc2ccccc21	463138956	FVTCZBIAPWTCTK-HSZRJFAPSA-N	400.503	5.628	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1	463146697	OYHYHTRYSVUHEX-UHFFFAOYSA-N	422.444	5.530	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccccc2-c2ccccc2C#N)cc1	464894098	NOPYFXXMBPDENJ-ATIYNZHBSA-N	410.517	5.431	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1cccnc1	466644754	LGEUGEKIANJYQY-ZDUSSCGKSA-N	424.917	5.083	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cncc(-c4ccccc4)c3)n2)cc1	467073938	SKWVNJIOHMFGDB-OAQYLSRUSA-N	406.470	5.234	30	20	HKED	
N#Cc1cc(CNc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)ccc1F	467771799	XFMMCSQXFZXGIX-UHFFFAOYSA-N	405.860	5.052	30	20	HKED	
CN(Cc1ccccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1	469295365	WKHXQCAIRHWDSD-UHFFFAOYSA-N	408.461	5.102	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(CCC#N)c1cccc(Cl)c1	470535790	AONZGRMRGHYHFA-INIZCTEOSA-N	412.946	5.093	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1	472496864	IWUXDOYCZKVELQ-NRFANRHFSA-N	411.958	5.592	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1	475013480	MZGTUYKHMSZBCS-UHFFFAOYSA-N	401.441	5.131	30	20	HKED	
CN(c1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CCCC1	475025698	IWVXGXBKNRHBHM-GGAORHGYSA-N	402.542	5.369	30	20	HKED	
Cc1nc(CC2CC2)oc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	475505450	CCPVTVVMPVYFQG-UHFFFAOYSA-N	409.433	5.212	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1	475546003	KGXHZIHPFAHQKV-UHFFFAOYSA-N	419.569	5.486	30	20	HKED	
CN(Cc1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)c1cccs1	476105166	VHURZZRCHHCCLY-LJQANCHMSA-N	417.534	5.046	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](c1cccs1)C(C)(C)C	476370403	RLDWQLFOJBYNIO-YWZLYKJASA-N	401.601	5.458	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C1c2ccccc2-c2ccccc21	477777169	YFJKXTCWESWIBP-QGZVFWFLSA-N	413.546	6.315	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1F	479507918	YOSREVMOETWQLH-UHFFFAOYSA-N	405.454	5.059	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2F)c1	480884830	YTPNLAPSLCZBNV-UHFFFAOYSA-N	418.321	5.085	30	20	HKED	
C=CCn1c(SCc2ccc(Br)cn2)nnc1-c1ccc(Cl)cc1	481947426	YIGABGSNSIBKOD-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F	482323620	ZZSOTBQJIQUSKE-SFHVURJKSA-N	409.839	5.435	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1cccc(C(F)(F)F)c1	483215918	IYBVEARXEKMASX-LJQANCHMSA-N	420.394	5.238	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccccc1F	483623888	KINUJPKESJTXDZ-CVEARBPZSA-N	401.507	5.199	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)sc21	484121895	ZOUXNDPFYXIVKS-MRXNPFEDSA-N	412.474	5.335	30	20	HKED	
C=CCn1cccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	488223992	UVVZNNFVAKGSPE-AWEZNQCLSA-N	402.306	5.594	30	20	HKED	
Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	488247250	KEXWWONVTLKZFY-UHFFFAOYSA-N	414.490	5.259	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nc2ccccc2s1	491919380	FTHTZBHHDRDKDP-INIZCTEOSA-N	406.413	5.857	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C	497638410	LDKVBVNIZKLFSC-INIZCTEOSA-N	413.518	5.352	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2	500037670	UOCPSIUSZRGDAN-MPVQEXEOSA-N	415.537	5.345	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)sc3Cl)c2)cc1	501417860	HCFVPUUSPCHTNK-UHFFFAOYSA-N	417.317	5.952	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1Cl	505630182	ABDHYBLYHCHANF-QGZVFWFLSA-N	402.306	5.040	30	20	HKED	
N#CC1(c2ccccc2)CCC(N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1	507658604	HHYKUYWIQCJMOR-JEUPEJDTSA-N	409.533	5.360	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1cccc2ncccc12	510187263	SDZQTAIRAGGOJZ-MRXNPFEDSA-N	410.502	5.288	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cc2c(ccc3ccccc32)o1	510514854	NZNFRTXPUPXWOS-INIZCTEOSA-N	400.503	6.161	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sccc1C#N	512951972	ZHSDNKVFXTZXMZ-NSHDSACASA-N	403.916	5.189	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)CCC2	517265832	YGWLOBXEBOAYOH-HXUWFJFHSA-N	419.510	5.052	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1Cl	518117668	UPPMMWMMRCQOTN-UHFFFAOYSA-N	420.865	5.165	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	520826168	DAUVLIYQEJNXME-ZDUSSCGKSA-N	415.584	5.545	30	20	HKED	
COCc1c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)sc2cccc(F)c12	520889515	KMMWZEZPULFPID-SFHVURJKSA-N	410.514	5.479	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H](C)C2CC2)cc1	520941708	XSUHOXYRAAOFLX-ZWKOTPCHSA-N	423.582	5.922	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1OC	521335016	KHUMSQXPBALWOF-CJNGLKHVSA-N	406.320	5.029	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1	521495217	PQRHEEJLCUXVEA-UHFFFAOYSA-N	422.440	6.065	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)CCc3ccc(C#N)cc3)s2)cc1	523496463	YRBFXMJOVIXHSY-GOSISDBHSA-N	403.551	5.451	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CC3CCSCC3)cc2Cl)c1	532392552	CFMGHXCEWSVQHZ-UHFFFAOYSA-N	400.931	5.262	30	20	HKED	
N#CCC[C@@H](NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	533979989	MHAZZLYGWXRLMY-HXUWFJFHSA-N	424.957	5.350	30	20	HKED	
C=C[C@H](CC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1)c1ccccc1	534650626	BHFNBICFXDOQRK-QGZVFWFLSA-N	401.453	5.148	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1Cl	535584192	FMTFBSIRHWQOIO-QHCPKHFHSA-N	418.880	5.218	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	536260144	HQPRVSTVJPQEHW-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#C[C@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc(-c2ccncc2)cs1	540684145	LGHZMPKEDYUTGS-CQSZACIVSA-N	406.854	5.004	30	20	HKED	
N#Cc1ccc(CN(C(=O)NCc2ccc(COc3ccccc3)cc2)C2CC2)cc1	541495718	YLNXNUZPYKBLPC-UHFFFAOYSA-N	411.505	5.011	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccccc1	545152462	GACZMANJSHPFBY-RBBKRZOGSA-N	408.933	5.170	30	20	HKED	
CC(=O)N1CCc2c(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cccc21	545270898	ZYWOIXABYAUWJI-KRWDZBQOSA-N	424.504	5.017	30	20	HKED	
O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](c2cccc(F)c2F)C(F)(F)F)c1	549544961	RVJWTDMIOQNEPW-CQSZACIVSA-N	414.252	5.285	30	20	HKED	
O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	554900881	IQUCWVLKWWYGLD-KBPBESRZSA-N	412.349	5.035	30	20	HKED	
COc1ccc([C@H](Cc2ccncc2)NCC#Cc2ccc(C(F)(F)F)cc2)cc1	560546058	POQVSDBJDOEJAZ-QHCPKHFHSA-N	410.439	5.034	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3cccc(C[S@@](=O)C4CCCCC4)c3)CC2)cc1	560551441	AIJYYVMOLIILMS-SSEXGKCCSA-N	421.610	5.221	30	20	HKED	
N#CCCn1cc(CNc2cccc(-c3noc(C4CC4)n3)c2)c(-c2ccccc2)n1	560684073	RHHHTMXAIDHMHS-UHFFFAOYSA-N	410.481	5.003	30	20	HKED	
CCOc1c(Br)cc(Br)cc1CNCC(C)(C)CCC#N	561747357	NHRDHZQQNUAQKK-UHFFFAOYSA-N	418.173	5.030	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C#N)c1ccc(F)c(Br)c1	588204480	FFEHMFRIWIZNKY-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
CC(C)(C)c1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1	590299423	FMAJHONENKNQIT-IBGZPJMESA-N	411.933	5.127	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c1C#N	609032621	VQPDPBQHQJMFLZ-UHFFFAOYSA-N	418.444	5.256	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3nc4ccccc4s3)cc2)c1	609064355	PVDKEUSARAEVTC-UHFFFAOYSA-N	413.502	5.318	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CSc3ccc(F)c(F)c3)cc2)c1	609065089	VUCVOPHWKYZNPD-UHFFFAOYSA-N	410.445	5.146	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c1	609298192	BWYKDOGMHUSLKS-UHFFFAOYSA-N	415.280	5.114	30	20	HKED	
C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	610164026	XVGOSRYGSZPNAX-QGZVFWFLSA-N	420.896	5.027	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[C@@H]1c1ccccc1	610321084	FZJHEDJBONWDQL-JPYJTQIMSA-N	412.493	5.403	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(C#N)c1	610322316	HIAWRWGDEOOJFY-HNNXBMFYSA-N	416.868	5.758	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)ccn1	610954827	ALWVDRASTZBXIH-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	611556790	MSYCGFBZMUKIST-GDBMZVCRSA-N	403.404	5.545	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc(Br)cc2)c2ccco2)cc1Cl	619755407	IGJPFJWOASSUIA-LJQANCHMSA-N	401.691	5.446	30	20	HKED	
COc1cccc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)oc12	642282222	WACSWZIAKDMCGH-GFCCVEGCSA-N	416.380	5.560	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1ccco1)c1cc(C(F)(F)F)ccn1	643779415	ZFRQRBQDXPHIJG-INIZCTEOSA-N	402.397	5.476	30	20	HKED	
C[C@H](CCc1ccc(F)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	671740201	RAUNTLLNBZXHPH-WXHSDQCUSA-N	403.357	5.785	30	20	HKED	
CC1(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CCC(F)(F)CC1	681498792	INOWTPQRIHZNCQ-GFCCVEGCSA-N	416.337	5.159	30	20	HKED	
Cc1cccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)c1	725856161	MWECIGPFKOWTNW-UHFFFAOYSA-N	418.504	5.048	30	20	HKED	
COc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F	726480410	IQFWCRLSHPTYGH-UHFFFAOYSA-N	423.488	5.244	30	20	HKED	
CCN(c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1)C(C)C	726497017	XOHOHSJCSIIOIM-UHFFFAOYSA-N	403.482	5.217	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728299641	UIFLLMOYAUOMJJ-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1	728766988	RFCKRSFGURYWLI-CWFSZBLJSA-N	416.443	5.584	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	729420987	UYAGBHCACUXVBA-QHSLDKKCSA-N	403.482	5.028	30	20	HKED	
N#Cc1ccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)c(F)c1	729837453	ZYGUCVXFIYSFBB-UHFFFAOYSA-N	403.482	5.007	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	741110930	DVOVCMYXKVKBTO-NHYWBVRUSA-N	402.928	5.315	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@H](C)c1ccccc1C(F)(F)F	741556784	XALJGGVVKHZKCY-INIZCTEOSA-N	411.427	5.334	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)cc(Cl)c1O	741842365	KHKFCMARIPYUIY-FARCUNLSSA-N	402.821	5.605	30	20	HKED	
COc1ccc(C)cc1C(=O)/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1	747167920	JPTHPHGEGLMFHA-VAWYXSNFSA-N	405.881	5.805	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1ccccc1	747193236	FJGXSRHGKAFZCB-UMSHPIDHSA-N	402.519	5.692	30	20	HKED	
CCOc1c(OC)cc(C=NN(Cc2ccccc2)Cc2ccccc2)cc1OC	750935747	YCOLRXZHWYYCOC-UHFFFAOYSA-N	404.510	5.139	30	20	HKED	
O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1	751523370	MPNJEDKUQJUYCE-UHFFFAOYSA-N	420.812	5.440	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	753274946	SDDVDLDKPVYLTB-FMIVXFBMSA-N	418.884	5.571	30	20	HKED	
CCCCCCCCn1c(S[C@H]2CCOC2=O)nnc1-c1ccc(Cl)cc1	753420554	VOSGNSSJFVTBDP-KRWDZBQOSA-N	407.967	5.367	30	20	HKED	
C[C@H](C#N)CN(Cn1nc(Cc2ccccc2)n(C2CCCCC2)c1=S)C1CC1	753988341	PINNKGDYVNQBHW-GOSISDBHSA-N	409.603	5.092	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F	754110358	VRPYXCTWKPDUCE-YCRPNKLZSA-N	403.413	5.132	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(Br)n1	755633939	QMRAAOPYYTTWCC-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)cc2ccccc21	762996543	DXCQWFMHYGCMGM-RUZDIDTESA-N	409.489	5.083	30	20	HKED	
N#CCCn1cc(CN2CCC(c3cc4ccccc4[nH]3)CC2)c(-c2ccccc2)n1	769122748	USJFTTJOUXGEAZ-UHFFFAOYSA-N	409.537	5.325	30	20	HKED	
COc1ccc(COCc2cccc(NCc3ccc(O[C@H](C)C#N)cc3)c2)cc1	770542650	PSXWBJTUZHZWMI-LJQANCHMSA-N	402.494	5.315	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCc2c(Cl)cccc21)c1nc(-c2c(F)cccc2F)cs1	776084420	ODVRRFLUQNABGL-ZIAGYGMSSA-N	414.864	5.648	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	779740120	FBIVRDBXNWBAOP-AUUYWEPGSA-N	418.324	5.060	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1	781083462	GKOWNJLFNOHCRE-CQSZACIVSA-N	412.968	5.252	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C1(C)C	781452651	UDALHQYIFOTWCN-RTXFEEFZSA-N	408.445	5.133	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)nc2C(F)(F)F)nc2sccc2c1=O	786706166	FOCFTUUXKTZVRT-UHFFFAOYSA-N	417.865	5.004	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1	789448983	AUXDYJURIXQINK-UHFFFAOYSA-N	405.542	5.095	30	20	HKED	
Fc1ccc(C(C[C@H]2CCOC2)=NNc2ncc(C(F)(F)F)cc2Cl)cc1	792885898	XCUNXUXRNUUJIU-LLVKDONJSA-N	401.791	5.136	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	793122144	PVECNKXXBBNRHX-HUUCEWRRSA-N	414.408	5.252	30	20	HKED	
C=CCOc1ccc(/C=C2\SC(=S)N(CCCCC(F)(F)F)C2=O)cc1	794862082	NEVQNKQZZPNGTG-QINSGFPZSA-N	401.475	5.185	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	797613967	PIPIYBHVQGHJKZ-GOTSBHOMSA-N	413.525	5.318	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c2ncccc12	802040623	IGRMILXQRUCZCT-ZDUSSCGKSA-N	418.667	5.156	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(C)cc1)[n+]1cc(O)cc(-c2ccccc2)c1	811723697	KINLDBINYQIHGL-UHFFFAOYSA-O	417.554	5.032	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2cccc(C#N)c2)C(=O)c2ccccc2)c(Cl)c1	834790581	SDVSOYUZGFRMQR-STZFKDTASA-N	414.892	5.734	30	20	HKED	
C[C@H](SCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1nc2ccccc2[nH]1	912630272	XYSVEXXYEXCBCI-INIZCTEOSA-N	413.502	5.501	30	20	HKED	
CSc1nc(C)c(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)n1	915086973	OQECNFGFBJYUIG-QFIPXVFZSA-N	416.550	5.042	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccccc2)cc1Cl	916154838	WWJJUBRVYCNMSX-MDZDMXLPSA-N	421.884	5.030	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)s1)C(=O)Nc1ccccc1Oc1ccccc1	916911995	YUCSKAGKKYYJLZ-XSLBHYSZSA-N	422.893	5.555	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2cccs2)n1	916927722	CBDVHPIWOWEIPY-JTQLQIEISA-N	422.318	5.140	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	917025647	NQNALAFTYHHTHQ-HNNXBMFYSA-N	404.438	5.912	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(Cl)cccc3Cl)n2)cc1	920138347	FFYPFZMBTHXNOO-OAHLLOKOSA-N	417.317	5.544	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)s1)c1nc(-c2c(F)cccc2F)cs1	920805315	BRSVXQMMLAREJV-QZPNVGJNSA-N	406.866	5.693	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C#N	1356543191	QWYRUIXMMGKKIN-UHFFFAOYSA-N	411.870	5.079	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(CC)C1	1760368967	CUTVMWHDUYEARA-JOCHJYFZSA-N	402.970	5.000	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1	1786103952	WPGRSZWUMDRLJC-UHFFFAOYSA-N	419.525	5.068	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3coc(C(C)C)n3)cc2)CCC1	1787027006	UKRCOYLEMNIUKJ-FQEVSTJZSA-N	421.541	5.314	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(C(CC)CC)cc1	22804896	UUMLZVHYNSEXNG-UHFFFAOYSA-O	405.534	5.094	30	20	HKED	
C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1	26125687	HKPLUOBQZYFKTC-ZDUSSCGKSA-N	414.292	5.330	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2nccn2-c2ccccc2)n(C2CCCC2)c1C	27490734	GTVCWWBFRCYUMW-UHFFFAOYSA-N	419.554	5.008	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2ccccc2[nH]1	46706360	ICDOQYQIZKBVMJ-HXUWFJFHSA-N	407.429	5.378	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)n1	48787130	FQGHKNZOHZANMI-IBGZPJMESA-N	417.490	5.279	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	61167349	AAIYVLYGSJONQY-UHFFFAOYSA-N	407.564	5.700	30	20	HKED	
COc1ccc(OC)c(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	97404281	DMXHFDDCFVFNMQ-NRFANRHFSA-N	420.896	5.194	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCc2nc3ccccc3s2)cc1	108120154	CVZAXOMNKAGAFG-UHFFFAOYSA-N	417.456	5.082	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	195662702	STNIOVQOQPSLFR-KRWDZBQOSA-N	416.531	5.051	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccccc1F	220145916	MSVHAXLOIZHNEV-LBPRGKRZSA-N	413.503	5.235	30	20	HKED	
CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	303085936	BJEXWVBNZJPKIA-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1	303237303	YJKZFCZTDBYTRF-VMOJBDSFSA-N	404.466	5.453	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)COc2ccccc2OCc2ccccc2)cc1	303288082	LVOPRFLWMOUMBO-UHFFFAOYSA-N	400.478	5.084	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1	303408460	TYQPLERXXDAGOJ-IBGZPJMESA-N	415.562	5.399	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1	426253308	SBHBSHFIMZQCHW-GJZGRUSLSA-N	405.258	5.193	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1Cc1cccc2c(Br)cccc12	428067692	BTVKJRJNLNCOIF-UHFFFAOYSA-N	403.283	5.089	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(Cl)cc(F)cc3Cl)cc2)cc1	431489616	HYRLUCJKTGFLDN-UHFFFAOYSA-N	401.224	6.049	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)cc1	434135432	LGXCIUUXQNKHDG-UHFFFAOYSA-N	404.432	5.486	30	20	HKED	
C=CCn1c(S[C@H](Cc2cccc(Cl)c2F)C(C)=O)nnc1-c1cccs1	436192999	GYQBZTAFMLEICF-MRXNPFEDSA-N	421.950	5.278	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1C(C)C	442217645	PONXXFGNLOSORM-UHFFFAOYSA-N	409.412	5.077	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	442810488	NEDJBYBIAXGQNX-QWRGUYRKSA-N	419.478	5.132	30	20	HKED	
CC[C@H](c1nnc(S[C@@H](C)c2cccc(C#N)c2)n1-c1ccc(OC)cc1)N(C)C	442908634	NYFPBNRNFQXFQV-HRAATJIYSA-N	421.570	5.014	30	20	HKED	
CC[C@@H](c1nnc(S[C@H](C)c2cccc(C#N)c2)n1-c1ccc(OC)cc1)N(C)C	442908638	NYFPBNRNFQXFQV-IERDGZPVSA-N	421.570	5.014	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3CC(F)(F)F)cc2)cc1	460450821	OTSNOESWHAGWPZ-UHFFFAOYSA-N	410.395	5.902	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)o2)cc1	460474081	TWOBNTRPUHKINA-UHFFFAOYSA-N	416.521	5.474	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464412989	XDDLXQHQRWWGCG-LLVKDONJSA-N	423.753	5.346	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)CC1	465856982	GDQSOADRXTZSCP-UHFFFAOYSA-N	423.523	5.200	30	20	HKED	
C=CCc1cc(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc(OC)c1O	466450815	ACUNSJWJKJFLDO-LJQANCHMSA-N	420.578	5.148	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccccc1Sc1ccccc1C#N	468949884	KPUZQPFLGSMDCM-KRWDZBQOSA-N	400.503	5.101	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2c2ncc(-c3ccc(F)cc3)[nH]2)cc1	469515163	ICLARWCQJLKOIO-NRFANRHFSA-N	417.488	5.386	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccc(Cl)c1Cl	472347334	GFKIAASMPMTKBO-ZDUSSCGKSA-N	407.606	5.660	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1cc(F)cc(NCC(F)(F)F)c1	473240206	WBNHZMXTIVAGBD-OAHLLOKOSA-N	408.317	5.475	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	475567955	DWLWYCVVIRRLGN-GMAHTHKFSA-N	413.512	5.384	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	476521945	FWTOXXNEVDAUIF-CQSZACIVSA-N	411.527	5.382	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ncc(-c2ccc(C)cc2)o1	481357079	FLLKIRWNVJVUHD-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
C=C(C)[C@@H](NCc1ccc(OC)c(OC)c1Br)c1ccc(F)c(F)c1	481603619	JKVULWNRUCKXBJ-GOSISDBHSA-N	412.274	5.152	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c1	481699104	JZIBEHVMTQFSEG-IBGZPJMESA-N	405.420	5.054	30	20	HKED	
CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	482574091	PNOPMAVPRFZVLQ-UHFFFAOYSA-N	413.477	5.131	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	483346915	FJPJPDFDSBEOQB-HNNXBMFYSA-N	402.519	5.526	30	20	HKED	
CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	483621535	JTDJNHYQGIQPCB-FGZHOGPDSA-N	409.555	5.241	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	488176817	GQABJPIHFUWDDT-LLVKDONJSA-N	417.506	5.641	30	20	HKED	
Cc1cc(CN2CCC[C@H]2c2nc(-c3ccccc3Br)no2)ccc1C#N	488995861	JXFBHZRTXJZGBP-IBGZPJMESA-N	423.314	5.016	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C(F)(F)F	489761715	BDIBIQVOCJUDLR-QAPCUYQASA-N	407.823	5.662	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@]2(c2ccccc2)C(F)(F)F)c1	490939204	FIXUBZPBQUYXJQ-JOCHJYFZSA-N	416.443	5.188	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(OC(F)F)cc1F	491299787	VCCLNFAOFQPECR-UHFFFAOYSA-N	409.383	5.128	30	20	HKED	
C[C@@H](C1CC1)N(C(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cccc(C(F)(F)F)c1	494602027	NHOQSJCUBMMJRS-HNNXBMFYSA-N	424.426	5.208	30	20	HKED	
CCN(C(=O)COc1ccccc1C#N)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	496466226	DGTJVVHIMCPJTM-AREMUKBSSA-N	413.521	5.094	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccccc2COCc2ccccc2)cc(OC)c1OC	499955993	ZORUXDMDQPIPBG-UHFFFAOYSA-N	417.505	5.401	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2cccc(F)c2C1	503499024	QHVBHCBZMLEHTF-UHFFFAOYSA-N	415.468	5.175	30	20	HKED	
C=CCCc1ccccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F	505052384	RYKUBENHDFZHEM-UHFFFAOYSA-N	417.431	5.291	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	508389547	OCHKBCUHGPDDNY-UHFFFAOYSA-N	409.898	5.682	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1cccc(OC2CCCC2)c1	511546181	OQKMVVWEWQQUCK-UHFFFAOYSA-N	414.505	5.639	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccncc1	513273806	ZXOXRIJVBLIKHG-ZDUSSCGKSA-N	406.433	5.278	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1Cl	514544313	PQFXYDJZBSIRCP-IBGZPJMESA-N	404.853	5.019	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCC[C@@H]1c1ccccc1	515010415	PDQSXMHWKNHDNZ-VXNXHJTFSA-N	414.553	5.441	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4cccnc4)cc3)n2)cc1	521285828	HOBWUVGGHXVZQW-NRFANRHFSA-N	422.469	5.359	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	521811014	OLBGARWPSTUCFZ-HNNXBMFYSA-N	422.579	5.835	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(CSC2CCOCC2)c1	524194191	RGZSTHPROYWYLG-UHFFFAOYSA-N	402.604	5.699	30	20	HKED	
Cc1c(Br)cccc1NC(=O)c1ccccc1Sc1ccccc1C#N	524226591	JIFBCXUPQFYDEE-UHFFFAOYSA-N	423.335	6.033	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1NC(=O)Nc1ccccc1	525514180	JTRMTIICXYVFEA-GOSISDBHSA-N	409.449	5.005	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)no1	525559799	KOJBSKWFWWWCIT-UHFFFAOYSA-N	418.497	5.260	30	20	HKED	
CC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(C)noc1C	533856653	YZPJGHQTBHGYRW-QFIPXVFZSA-N	418.497	5.209	30	20	HKED	
N#Cc1cc(NC2CCC(F)(F)CC2)cc(NC2CCC(F)(F)CC2)c1[N+](=O)[O-]	534881492	LOHGHLQKGUGKRY-UHFFFAOYSA-N	414.403	5.446	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1)O[C@@H](C)C2	538072805	RJLLQHLFUDCZTH-ADLFWFRXSA-N	424.928	5.090	30	20	HKED	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccc(OCc2ccccc2C#N)c1	538759164	IBCDVOIWADCKTI-QTEAWJPNSA-N	418.562	5.068	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cn(CC(C)C)nc1C(F)F	539014843	HPTBWSIHTWFBMB-UHFFFAOYSA-N	403.477	5.038	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c(C#N)s1	540273018	UDQCGKABWRFHKB-UHFFFAOYSA-N	420.416	5.238	30	20	HKED	
Cc1nc(SCCCC2(C#N)CCOCC2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	540804617	WQVGXEDXTSYAEL-TUFLPTIASA-N	401.620	5.690	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@H](C)c1nccs1	542378136	LKOMLELBYPTDBZ-QGZVFWFLSA-N	420.538	5.170	30	20	HKED	
CCOC(=O)COc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	543112756	BFVSQNDUPZLNKN-IBGZPJMESA-N	414.505	5.018	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(-c2cccc(C#N)c2)cc1	543870317	SLXVPBXAFPEXBU-INIZCTEOSA-N	403.432	5.549	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543943464	KMLBBXOXZQBMMF-DOTOQJQBSA-N	418.566	5.762	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	546796513	KYUYBCDHBIJACA-UHFFFAOYSA-N	417.534	5.296	30	20	HKED	
CC[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1nc(C(F)(F)F)cs1	551625092	XOPGUVXEQIMDRA-GFCCVEGCSA-N	409.458	5.438	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1	554425657	KUPUVGCWACQAIU-UHFFFAOYSA-N	418.921	5.357	30	20	HKED	
C=CCN(CCC#N)C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	557383896	UBFGAKHODWKQEY-XDJHFCHBSA-N	417.534	5.164	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSCc1ccccc1	564173002	CKAGZVHHORCZNK-HSZRJFAPSA-N	424.591	5.631	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2ccc(OCc3ccncc3)cc2)cc1	565261393	ADPWNAMRSFMUTH-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)C3(c4ccc(F)cc4F)CCC3)cc2)ccn1	583413742	UCSONGBGCWSOFA-UHFFFAOYSA-N	405.404	5.084	30	20	HKED	
C=CCN(C(=O)C1CCN(Cc2ccccc2)CC1)c1nc(-c2ccccc2)cs1	589286896	DDNSIWKWDZYDAR-UHFFFAOYSA-N	417.578	5.241	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC4(CCC4)[C@H]3c3ccccc3)cn2)c1	590107016	JSCSFGYNYAZBCM-HSZRJFAPSA-N	410.477	5.505	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N(Cc1ccccc1C(F)(F)F)C1CC1	590337153	XFRDYPHGWBHYJH-UHFFFAOYSA-N	420.328	6.060	30	20	HKED	
C[C@@H](c1ccccc1)n1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1	590411485	MNICHWAKBFSXLN-SFHVURJKSA-N	424.529	5.401	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c(C#N)c(C)c1C	603578857	RJDBCTPTWHFECO-UHFFFAOYSA-N	418.522	5.142	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604086864	NMFAGFJPVHHMHV-UHFFFAOYSA-N	402.429	5.105	30	20	HKED	
C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604090316	SSBYJBHQFSWELH-CQSZACIVSA-N	423.925	6.217	30	20	HKED	
COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)s2)cc1	608553108	SHPVWZQVHKKATB-CQSZACIVSA-N	409.467	5.058	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F	608914922	GDNQITSDRRSBQW-UHFFFAOYSA-N	404.436	5.086	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccoc2)n1	609371339	UPISWZLDURFQOL-UHFFFAOYSA-N	417.465	5.569	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1	609375455	UIBBJROLLZHHIM-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	609435394	LSSYVQOMIDRQDA-MRXNPFEDSA-N	419.554	5.205	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(Oc4nccs4)c3)s2)cc1	609906514	YZARYLRWWOFDTD-UHFFFAOYSA-N	418.503	5.107	30	20	HKED	
Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	610010339	MLZFQQUZOBDXRY-KRWDZBQOSA-N	404.539	5.009	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nccs1	610016479	AHSCOXLBCZJHFJ-LJQANCHMSA-N	406.511	5.061	30	20	HKED	
CC1CCN(c2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)CC1	610048810	HCPMGRPZPQOJNN-UHFFFAOYSA-N	415.493	5.219	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(CC(F)(F)F)cc3)o2)cc1	610179462	GCMZPKYLUATBIP-UHFFFAOYSA-N	400.356	5.087	30	20	HKED	
COCc1nc(N[C@@H](C)c2cccc(C#N)c2)c2c(-c3ccccc3)csc2n1	610340399	RNQJBIKYDAIHQH-HNNXBMFYSA-N	400.507	5.549	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H](C)c1cccc(C#N)c1	610365002	ZGRFZMHBOQBNKJ-LBPRGKRZSA-N	415.440	5.500	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	610604291	MELBKNLHOOLOHT-IAGOWNOFSA-N	412.333	5.038	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)C1	612305330	ZYBXJYFDNFHPOK-QHCPKHFHSA-N	404.445	5.324	30	20	HKED	
O=C(c1ccc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618297129	CHEHYQYJIGLYOH-PHIMTYICSA-N	409.301	5.289	30	20	HKED	
C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618449220	DKZLAZOOQVVVGW-GARJFASQSA-N	415.328	5.555	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2)cs1	618733037	FPPUHYXLUROPFC-OAQYLSRUSA-N	405.548	5.033	30	20	HKED	
C[C@H](CC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)c1ccccc1C(F)(F)F	622566129	FATVVDXQXZHATG-BMLIUANNSA-N	407.329	5.600	30	20	HKED	
O=C1/C(=C\c2cccnc2Cl)CN(c2ccccc2)C/C1=C/c1cccnc1Cl	728697207	KPPUDVJJADVGQY-BKHHGCLFSA-N	422.315	5.340	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1	728755696	WJNZJJXUMRVWRG-UIOOFZCWSA-N	418.500	5.648	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)sc2c1	729187562	FCVDDNGDOLJFLJ-QGZVFWFLSA-N	418.905	5.978	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730422016	RWWBCZLWQXKWIW-GCJKJVERSA-N	418.518	6.145	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Br)cs1)c1nc(-c2ccccc2)cs1	730685616	APWLMSDLSLSMCI-HNNXBMFYSA-N	417.353	5.443	30	20	HKED	
O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1cccc(OC(F)F)c1	730950585	GVKCTGCTQBCCSW-TWGQIWQCSA-N	414.360	5.054	30	20	HKED	
C[C@@H](NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccs1	730954654	GOTZIGDHNMTOHG-LLVKDONJSA-N	415.531	5.820	30	20	HKED	
COc1cc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)ccc1OCC#N	731938920	SZUQKWDCUBXANZ-NTCAYCPXSA-N	420.465	5.073	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)c1	733774528	HDZPYDHRSJOWEP-SFHVURJKSA-N	406.457	5.016	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740025637	LMKXKBKUUWETBB-MRXNPFEDSA-N	405.523	5.246	30	20	HKED	
O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CCOc2ccc(Br)cc21	743058456	ZVGNFEZHDPRCMC-PTNGSMBKSA-N	423.266	5.080	30	20	HKED	
CC(C)(CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	743449346	NROXEIPVXQTJKU-NRFANRHFSA-N	412.489	5.494	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c[nH]c12	744062216	SWKKUUUEGMKOPB-FQEVSTJZSA-N	410.502	5.281	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1	746345630	IMCMYPSGHIJGGM-SEYXRHQNSA-N	421.928	5.883	30	20	HKED	
COc1cc(C(C)=NNc2ncnc3sc(C)c(C)c23)ccc1SC(F)F	746486876	KERTYVKDNJEBHT-UHFFFAOYSA-N	408.499	5.468	30	20	HKED	
COc1ccc(/C=C\C(=O)c2sccc2Br)cc1OCCCC#N	747361705	XCYKNGOALJGZOE-XQRVVYSFSA-N	406.301	5.098	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1	752476613	WCYUIWMTVCKPNF-MRXNPFEDSA-N	402.853	5.551	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc2ccccc2c1	753395798	LFIGVDUOLDQJGJ-KSFYIVLOSA-N	407.498	5.815	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc([N+](=O)[O-])c1	763945365	RJXHURMVBSVISS-QMTHXVAHSA-N	419.384	5.203	30	20	HKED	
O=C(Cc1c[nH]c2ccc(Cl)cc12)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764749299	CRMDBRUDIXHGHM-UHFFFAOYSA-N	423.687	5.078	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)c(F)c1	765916506	SNKYTRWUCJFSCT-MRXNPFEDSA-N	408.816	5.233	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc(Cl)ccc3[N+](=O)[O-])o2)cc1	768461970	NSPBMWNSWGLTED-UHFFFAOYSA-N	403.847	5.155	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(Br)n1	771450307	NNTYKSBTRHAXPM-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1NC(=O)OC(C)(C)C	772148242	NLMPSODAFHMRPP-UHFFFAOYSA-N	409.486	5.253	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2oc3ccc(OC)cc3c2C)ccc1OC	772984298	CVOKEIKQEOIJFB-SJLPKXTDSA-N	408.498	5.290	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1	776906771	GGBDAKRSPRMWRH-UHFFFAOYSA-N	423.557	5.358	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	783068980	BMYQAWAAHBTJLE-SUMWQHHRSA-N	416.424	5.473	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3cccc(CC[C@@H](O)c4ccccc4)c3)on2)c1	789976895	DVRWYGNGWRLBRI-XMMPIXPASA-N	423.472	5.132	30	20	HKED	
N#C[C@H](C(=O)Cc1cc(Cl)ccc1Br)c1nc2cc(F)ccc2s1	790774148	YNJYHUVXFHGZKF-GFCCVEGCSA-N	423.694	5.270	30	20	HKED	
N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nccc2ccccc12	792094160	DGPVRPFHBMEVAP-AUUUKSDWSA-N	400.787	5.710	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)c1ccc(C#N)o1	796934648	PNCXTIMOALCDKA-NSHDSACASA-N	417.284	5.264	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NC(=O)NCC1CCC(C#N)CC1	799405342	VMXGUAKKVCIJMP-UHFFFAOYSA-N	400.320	5.362	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3ccccc3[C@H]2C)cs1	809158675	BSFKZZMRPUZFBR-RBFBNPFJSA-N	408.910	5.865	30	20	HKED	
Cc1nc(C(F)(F)F)c(COC(=O)c2c(F)cc(C(F)(F)F)cc2F)s1	811419284	AYVONDXFIFWEFQ-UHFFFAOYSA-N	405.266	5.124	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813215292	WFLMDNUOGSFKBC-HZMBPMFUSA-N	401.215	5.462	30	20	HKED	
N#CCCCCCC(=O)OC(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1	816477317	VZAIZEPCQMZXCC-UHFFFAOYSA-N	415.333	5.628	30	20	HKED	
CC(C)CN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc(C#N)cc1	914510713	UUPNCNMYRFXROL-UHFFFAOYSA-N	417.123	5.870	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1nc(-c2sccc2Br)cs1	916420639	RMQVYBAEWOVYOM-WAYWQWQTSA-N	416.325	5.158	30	20	HKED	
C[C@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	916919379	WXDZTTKHSQUUET-YOEHRIQHSA-N	408.910	5.321	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1Br)c1nc(-c2ccccc2)cs1	917026569	HWVFUZXLOYKNHC-INIZCTEOSA-N	411.324	5.382	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1	917042955	IIUOMVGWYIHPSK-NSHDSACASA-N	414.861	5.839	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)c(F)c2)ccc1OCC#N	917145198	VDRRHYLMZDNEHO-JXMROGBWSA-N	403.409	5.425	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)c1	918596744	VGYSWPYZDQWFJA-UHFFFAOYSA-N	414.490	5.010	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2sc3ccccc3c2s1	920102279	RLGBCASVVGPUSF-OAHLLOKOSA-N	414.511	6.111	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	920113102	PUUKQMIFGZFCJS-MAUKXSAKSA-N	409.436	5.126	30	20	HKED	
Cc1cc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)c1	920804304	OTMZFXDSYMDIAS-HNNXBMFYSA-N	412.461	5.269	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cccs2)[n+]2ccc3c(c2)CCCC3)c1	1338311892	RIOFKPNBHIKXJN-UHFFFAOYSA-O	417.579	5.219	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)no3)CCC2)cc1	1789455868	GEDLKMABVLQVTG-HXUWFJFHSA-N	421.541	5.314	30	20	HKED	
CC[C@H](C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1)c1ccccc1	1792229462	CNLQFADAFWAMLX-QFIPXVFZSA-N	415.537	5.008	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)Cc1cc(C#N)ccc1F	11436021	HTSUYNXPZAKXGA-UHFFFAOYSA-N	410.514	5.369	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1	15247774	NMFXRGNQDDDLBC-UHFFFAOYSA-O	417.598	5.885	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCCc3c[nH]c4ccccc34)c2)c1	32291981	NBTOQYLYSXVNSL-UHFFFAOYSA-N	409.489	5.580	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(\S)Nc2ccc3c(c2)CCC3)cc1	63440924	HHARIHWZIVYIQG-UHFFFAOYSA-O	419.545	5.215	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1	71975206	SVGIXUMPLXZTHS-HSZRJFAPSA-N	402.519	5.841	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1	116525165	LTRRWXGSGHQDOI-QFIPXVFZSA-N	402.475	5.015	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H](C)Oc1ccccc1C#N)C1CC1	116859500	UWWCQOWZWLMQNE-LSDHHAIUSA-N	402.416	5.097	30	20	HKED	
Cc1ccccc1/N=C1\N=C(O)/C(=C/c2ccc(OCc3ccncc3)cc2)S1	206954779	XLMKAPGDDUAQPH-STZFKDTASA-N	401.491	5.701	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	303955893	UYJSAVDUMDJCSJ-UHFFFAOYSA-N	419.378	5.039	30	20	HKED	
Cc1c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)sc2ccc(C#N)cc12	431671693	UXYNWYOAZLSWLG-LBPRGKRZSA-N	410.449	5.317	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(C)(C)C)cc3)n2)cc1	432212583	JVEXSHIYXDRSTR-LJQANCHMSA-N	406.507	5.486	30	20	HKED	
COCc1cnc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1	432426571	SJUFGAGCBPYQRB-UHFFFAOYSA-N	419.428	5.584	30	20	HKED	
CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(C)c1	432769698	SZCXUKKVUFLFEH-PGRDOPGGSA-N	406.530	5.080	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436036974	JGHZBSAPZKKKDS-SRHKJQAYSA-N	419.312	5.376	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2)n1	437464127	WOLJNXNPCSRCTK-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cc1nnc(-c2ccc(C#N)cc2)o1	441058873	CECBIDSNCFZLLX-BCHFMIIMSA-N	420.516	5.187	30	20	HKED	
N#C[C@@H]1N(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CCC[C@@]12CCCCO2	442805319	YIMQDOQNZHTNFK-UWJYYQICSA-N	418.324	5.056	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1ccc(F)c(F)c1	445825131	QWROCUARZRZPFM-UHFFFAOYSA-N	407.420	5.294	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cn(C)nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1	446259275	VDPADKKBNQKQDZ-CYBMUJFWSA-N	420.357	5.287	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C)nc3CC(C)C)n2)cc1	447106127	AMQAVDFALZTDRN-INIZCTEOSA-N	411.552	5.272	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CSc2ccc(Cl)c(Cl)c2)cc1	463202598	HZDQDPHVBREJAU-UHFFFAOYSA-N	409.338	5.431	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	464738897	PIYUQJLAXWJGJV-CSODHUTKSA-N	411.546	5.099	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(CSc3ccccc3)cc2)CCC[C@@]12CCCCO2	468663072	VLZWKIFBNPNLPW-UPVQGACJSA-N	406.551	5.046	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Sc2ccccc2Cl)nn1	468685834	BBUXDNFJHVTMHD-UHFFFAOYSA-N	422.941	5.204	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccccc1	474274939	XXDDLHFWYWTMSR-LJQANCHMSA-N	416.443	5.217	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC(F)F)c1	475024359	RZZACKNUSSNLDI-INIZCTEOSA-N	414.433	5.219	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C[C@H](CC#N)c1ccccc1)C1CC1	475122933	XLFPEPONFABWNH-LPHOPBHVSA-N	400.444	5.845	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1	475552090	QNOPTRDQVMAWJS-OAQYLSRUSA-N	416.924	5.936	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCc1ccccc1)Cc1cccnc1	475571953	WLMOVWUTAFNIML-UHFFFAOYSA-N	413.565	6.210	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2nc(-c3ccccc3)oc2c1	476202819	NCWWIYGHNOFEOC-FYYLOGMGSA-N	407.473	5.407	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NC(=O)N(C)Cc1cccc(C#N)c1	477963771	HCJNULGEQDIRAR-UHFFFAOYSA-N	408.299	5.446	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)s1	478098674	AHYLWDMCSZOQGI-OAHLLOKOSA-N	422.460	5.662	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccc(Br)s3)no2)cc1F	479535166	ZLHAWADHDDVTJL-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
Cc1noc(-c2ccccc2)c1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1	481465777	PKIMWKLYPXSETK-UHFFFAOYSA-N	416.481	5.033	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccccc2F)nc1	483486819	JQNKUDAGPPITNB-UHFFFAOYSA-N	423.492	5.401	30	20	HKED	
N#CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2	486563117	GJIFCLHBGSHBCO-PLVOEJAPSA-N	414.496	5.103	30	20	HKED	
C=CCC[C@@H](NC(=O)Cc1c(C)nn(C(C)C)c1C)c1ccc(C(F)(F)F)cc1	486782184	WQSQTTNNPOOZTN-HXUWFJFHSA-N	407.480	5.466	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Nc1ccc(C#N)c(Br)c1	487877106	JDZVYRZEZVNVCN-CQSZACIVSA-N	424.302	5.079	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1	488014448	MQTSRFSBKBCJSR-RPWUZVMVSA-N	402.444	5.169	30	20	HKED	
C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nc(C(F)(F)F)cs1	490080755	OYHXUYWBFSRLPV-INIZCTEOSA-N	415.484	5.712	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCC[C@H]1Cc1ccccc1	493504694	SQBOQMZMUWJMNJ-HLAWJBBLSA-N	407.583	5.020	30	20	HKED	
CC(C)n1c([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)nc2ccccc21	495489577	OUGQJZQUTIFRKZ-GOSISDBHSA-N	408.505	5.647	30	20	HKED	
N#CCN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1ccccc1	497353129	YTPQAPQQLBUTGD-UHFFFAOYSA-N	415.543	5.638	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)c1c(Cl)cccc1Cl	499851661	YBACQYVWAHXAGH-CYBMUJFWSA-N	423.097	5.232	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2C)c1C	500767847	NYSBIQQRMGVIQV-UHFFFAOYSA-N	422.488	5.714	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501424485	PJRDHSWUHXJPKO-IBGZPJMESA-N	416.546	5.592	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCC(=O)c3cc(Cl)sc3Cl)CC2)cc1	503896732	DGPDANRZXUOWDJ-UHFFFAOYSA-N	419.333	5.205	30	20	HKED	
N#Cc1ccc(CN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C2CC2)cc1	504366479	XGKWUQMAWWCPML-UHFFFAOYSA-N	410.477	5.007	30	20	HKED	
C=CCCc1ccccc1NC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1	505016309	FOPYALLPOKRSAX-UHFFFAOYSA-N	412.493	5.047	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1	506801739	QDCGFZYLVJULRC-UHFFFAOYSA-N	414.509	5.228	30	20	HKED	
N#CC1CCC(CNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)CC1	508360182	JNEHPEJJFQBWNT-BUNACBEFSA-N	400.494	5.244	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2cccc3ccccc23)cc1	510532708	HBGYMBFZYWAUHK-LJQANCHMSA-N	413.521	5.537	30	20	HKED	
CC(=O)N[C@H](CC(=O)Nc1sc(-c2ccccc2)cc1C#N)c1ccc(Cl)cc1	515684189	ZWBCRQLYFFKPBW-LJQANCHMSA-N	423.925	5.146	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)c1	517655276	FCDJEVIPDKXWNH-HSZRJFAPSA-N	424.953	5.728	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	518239612	HWKVYDJUKSLRFR-CYBMUJFWSA-N	424.507	5.365	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1	518297025	WMXRPXPUWFOHRG-UHFFFAOYSA-N	420.900	5.207	30	20	HKED	
CC(C)Oc1cccc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	519416050	BCWJOXIWRHMIIS-KRWDZBQOSA-N	414.596	5.740	30	20	HKED	
CSCc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	520270272	CMCKRVCTNYESJR-UHFFFAOYSA-N	404.539	5.196	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1	520924310	TXGNLLOPKZONBK-QGZVFWFLSA-N	421.566	5.140	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl	521722623	CPHZMTIEVHANNY-LBPRGKRZSA-N	411.379	5.976	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1nc2ccccc2s1	521809116	VLDGDYJNKZYYNZ-LSDHHAIUSA-N	410.568	5.915	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)c1sc2ccccc2c1CSc1ccccc1Cl	523286396	RAWOFJKYGCRWAF-CQSZACIVSA-N	414.983	6.079	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	524146846	GEWAFQYJPPGIMK-QFIPXVFZSA-N	419.912	6.012	30	20	HKED	
CCCn1c(C)c(C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cc(OC)ccc21	524382448	BSRLPHXYOYCTNZ-UHFFFAOYSA-N	413.424	5.094	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1csc(C(F)(F)F)n1	525995447	MVCGGYSLCYPOGK-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
C=C[C@H](CC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1	535437481	YJXXGJHDDARNIJ-LJQANCHMSA-N	402.469	5.054	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1	538625930	LFPFPKCYKQAQEI-SIKLNZKXSA-N	423.476	5.193	30	20	HKED	
C=CCCC[C@@H](C)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1	539247896	DBCFZYITMCORKL-MRXNPFEDSA-N	400.460	5.039	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CN[C@@H](CCC#N)c2ccccc2)cs1	539526563	QKSIVFQMCXUNBX-QFIPXVFZSA-N	404.539	5.271	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1ccc(C#N)c(Cl)c1	540274655	VRZQEUJWBHVJMJ-UHFFFAOYSA-N	404.297	5.126	30	20	HKED	
Cc1c([C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)nnn1-c1ccc(F)cc1	540313343	HRIRPKVHWURCIJ-QGZVFWFLSA-N	411.484	5.104	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1c(F)cccc1Cl	540475028	KJARXHTYTSHNBS-UONOGXRCSA-N	405.926	5.163	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ncc(-c2ccccc2)[nH]1	541065263	KPOGHPGJFYMVHC-UHFFFAOYSA-N	423.476	5.371	30	20	HKED	
C[C@@H](NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(-c2cccc(C#N)c2)cc1	541073383	VIWUNOKHAXLOGS-FQNDFFIISA-N	414.549	5.124	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(-c2nc(COCc3ccccc3)no2)cc1	544624887	CIVIJAWWYCUFPT-UHFFFAOYSA-N	401.397	5.256	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1	546086508	CXAPPJCQVAYUPN-GJZGRUSLSA-N	400.931	5.439	30	20	HKED	
N#C[C@H](C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)c1ccncn1	546859266	AXRMGJHUOBIRJU-INIZCTEOSA-N	414.317	5.566	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccccc1Br	553664829	DLFKLXSBRZWANE-CQSZACIVSA-N	418.360	5.208	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)N(CCC#N)c3ccc(F)cc3)cs2)cc1	554286997	YFERVRNEGVQEPB-UHFFFAOYSA-N	409.486	5.297	30	20	HKED	
COCC[C@@](C)(C#N)NC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1	554774236	BQISSNVLIFUERZ-FQEVSTJZSA-N	423.365	5.334	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)s1	558497684	ANLPJHQFUUCQFM-UHFFFAOYSA-N	407.495	5.249	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	560624001	CWDCTEGPWUNLGV-CQSZACIVSA-N	406.713	5.264	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)n1	564192473	GFVBKNCZLFPKLJ-GMAHTHKFSA-N	415.537	5.571	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1Cl	565677720	JHIAJLZHQFRQPQ-QFIPXVFZSA-N	415.924	5.841	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1ccc(Cl)c(C#N)c1	574117158	JLLHZLXGEOQHFE-UHFFFAOYSA-N	410.882	5.288	30	20	HKED	
C=C[C@](C)(CCOC)c1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1	577300959	PYDAKIMUHXAUAN-RUZDIDTESA-N	414.509	5.129	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)cc2)ccn1	577684503	IQFTZKWRGRPLON-GVAUOCQISA-N	424.504	5.546	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(F)c2ccccc12	579157523	YZYYANHLKJYAHS-DLBZAZTESA-N	421.541	5.520	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@H]1CCOC(C)(C)C1	580861493	DEMUMYMACYJVDN-IBGZPJMESA-N	407.514	5.470	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	587988669	CTKNSJLXGAPTDA-KRWDZBQOSA-N	401.853	5.178	30	20	HKED	
C=CCN(C(=O)c1cnc(-c2ccccn2)s1)c1nc(-c2ccccc2)cs1	589856893	XFHDXELEOFTCFC-UHFFFAOYSA-N	404.520	5.161	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	592344928	VVBMVAAPDJSWSM-HXUWFJFHSA-N	416.443	5.002	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1OC	592973691	IUQATBFPFCJKBO-CYBMUJFWSA-N	418.877	5.376	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N(C)Cc2c(Cl)cccc2Cl)c1C#N	603524042	INXYBOQBOZEOQU-UHFFFAOYSA-N	406.338	5.132	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609514977	AKTRKTYLBDOFHT-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2oc3ccccc3c2c1	611059016	SBXVOMJJLGHVGB-UHFFFAOYSA-N	412.493	5.053	30	20	HKED	
CC(C)(C#N)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	611689544	KMEWEEHOVHGDLE-UHFFFAOYSA-N	423.416	5.044	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c12	613292464	KVZYULKHWROLTE-IBGZPJMESA-N	423.520	5.410	30	20	HKED	
Cc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	613407083	HQWKPHZNHWQMCU-CYBMUJFWSA-N	405.704	5.511	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)cc1	614888538	BPPYTIFUIQDVOX-UHFFFAOYSA-N	400.906	5.076	30	20	HKED	
O=C(NC[C@@H]1CCCCC(F)(F)C1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	644112014	KMGWBCOWWJDZCW-WOPDTQHZSA-N	424.376	5.411	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)s1	684676359	WNZCFGMHKYGPHH-GFCCVEGCSA-N	401.944	5.708	30	20	HKED	
Cc1ccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)cs2)o1	727435633	UTPNFRGZUXAILQ-UHFFFAOYSA-N	405.479	5.236	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)O[C@H](c3ccccc3)c3cccnc3)o2)cc1	728419595	VLANGRSSHVYSCF-XMMPIXPASA-N	410.429	5.072	30	20	HKED	
CC(C)Cc1ccc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2cccs2)cc1	728713154	ONRSCXYQJSWQRA-UQBPGWFLSA-N	404.579	6.117	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730417681	PKBQRNBXVNYVPP-GXSJLCMTSA-N	409.269	5.386	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccccc3SCC#N)s2)cc1	733785373	XNRZWGZEZISPRC-CQSZACIVSA-N	423.563	5.234	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	734083048	LDWHXMZDJWIPTD-HXUWFJFHSA-N	405.523	5.193	30	20	HKED	
CC(=O)N(c1nc(/C=C2\CCOc3c(ccc(Cl)c3Cl)C2=O)cs1)C1CC1	734304648	QRPCOVONZUQVNP-DHZHZOJOSA-N	423.321	5.014	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)c1	734312472	GGCOKEXBMFWHFB-UHFFFAOYSA-N	411.505	5.380	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SC(F)F)cc2)c(Br)cc1O	734980974	NSZQWCANJBGKOA-DAXSKMNVSA-N	415.255	5.374	30	20	HKED	
Cn1cc(/C=C\C(=O)c2ccc(SC(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1	734981710	SCJMRDIXTMVZRA-WDZFZDKYSA-N	415.421	5.206	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1coc(-c2ccccc2)n1	739155765	VGRXTMCTWZZABS-LJQANCHMSA-N	423.428	5.095	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNc1cccc(C(F)(F)F)n1	740762704	CQYNDXKCKQJZPV-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccnc4ccccc34)n2)cc1	741113279	PEPNHEKKZTUSNC-GDCKJWNLSA-N	406.470	5.120	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1	741934242	QUXOVRQGPOXXJD-LJQANCHMSA-N	424.422	5.382	30	20	HKED	
COc1cc(C(=O)/C=C\c2cc(Cl)c(O)c(OC)c2)ccc1SC(F)F	746345783	JYBUMCQINBILRT-HYXAFXHYSA-N	400.830	5.274	30	20	HKED	
C[C@@H](ON=Cc1ccc(Br)cc1)c1nnc(-c2cccc(Cl)c2)o1	747828203	QXHPNXMXHOGFEO-LLVKDONJSA-N	406.667	5.264	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4ccccc4n3)n2)cc1	752173454	DQTCVOZWJCWHGK-KTZABMDBSA-N	411.486	5.257	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C\c3csc(-c4ccc(Cl)cc4)n3)cc2N1	758024272	BUMPXNRLJPKHHH-WAYWQWQTSA-N	418.952	5.465	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1cc(Br)cc2cccnc12	759762095	MVLSOSBLYUHYNC-UHFFFAOYSA-N	407.214	5.149	30	20	HKED	
CC[C@H](OC1CCCCC1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	761047949	LCFTVZKSLIDXIY-HOCLYGCPSA-N	410.461	5.619	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2csc(Cl)c2Cl)nc(-c2cccnc2)n1	761817867	VRBAYQRJPNKYOG-UHFFFAOYSA-N	418.231	5.372	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1	766409555	WWVJNDBRHTUKIS-XUVXKRRUSA-N	406.407	5.502	30	20	HKED	
FC(F)(F)C1CCC(C=Nn2c(S)nnc2Cc2cccc3ccccc23)CC1	767368192	TVHFNXRRMZHGTL-UHFFFAOYSA-N	418.488	5.513	30	20	HKED	
Cc1cc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)nn1CCC#N	768052636	DTOVTDNRHRVWPP-UHFFFAOYSA-N	421.913	5.288	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)c1	772985759	YEQZIFWSZSQQQX-PZJWPPBQSA-N	403.551	5.658	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1	773294071	QTXKJSABPBQLKP-OAQYLSRUSA-N	411.933	5.110	30	20	HKED	
N#C[C@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1ccc2ccccc2n1	774039573	XZNASVKJOHUNDF-SFHVURJKSA-N	421.294	5.227	30	20	HKED	
N#C[C@@H]1C(CN[C@H](c2ccc(Cl)cc2)C2CCC2)=CC(=O)n2c1nc1ccccc12	775377982	HBCHLPMAFPQTMT-XXBNENTESA-N	416.912	5.008	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N	780679220	AHUNXDRSKCSLID-ZFWWWQNUSA-N	424.501	5.431	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1	781171057	PGAWLUAHAQCFPC-UHFFFAOYSA-N	403.334	5.539	30	20	HKED	
CC(=O)[C@H](C)CCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	783070909	YAYHQRNWMNCMRU-WBMJQRKESA-N	423.365	6.079	30	20	HKED	
C=CCOc1cccc(NC(=O)C(=O)Nc2ccccc2SCc2ccccc2)c1	783890374	IHUSAGPOMHPCTP-UHFFFAOYSA-N	418.518	5.121	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O	789890416	QWMBTAAOVVKFPV-UHFFFAOYSA-N	410.514	5.843	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNCCC(F)(F)F	794547188	FQIWBNJVEJEJDX-UHFFFAOYSA-N	413.658	5.076	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc(OC)c1	794726484	AZAAPNBNABCAMC-LLVKDONJSA-N	422.268	5.172	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCC[C@H]([C@H]4CCOC4)C3)nn2)c1	794982266	UZAWUFZFNYAQFS-HOCLYGCPSA-N	404.436	5.157	30	20	HKED	
N#CCCN(C(=O)CSc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1	801063550	RNUMNEYIWZLSHN-UHFFFAOYSA-N	413.955	5.502	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1	809292291	ARDKLIHROXWCLH-UHFFFAOYSA-N	413.277	5.344	30	20	HKED	
C[C@H](N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)cc1F	810263372	NJSIELQAPPEYER-HTAPYJJXSA-N	411.521	5.394	30	20	HKED	
N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cc(C(F)(F)F)ccn1	813218253	NBJUQFPUCNSFLH-AWEZNQCLSA-N	419.790	5.218	30	20	HKED	
CCOc1c(Br)cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1OC	861416240	MVQAZESNFGJELS-JYRVWZFOSA-N	421.262	5.044	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)c1	863967304	QPBSSRGKUCDQJW-UHFFFAOYSA-N	415.518	5.312	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(Br)cc2)cs1	912828055	IHSGOFLJNQEXNZ-UHFFFAOYSA-N	415.316	5.036	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl	915086024	QWGSIMMVNLFMMX-OAQYLSRUSA-N	404.897	5.575	30	20	HKED	
CC(C)[C@@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1Cl	915384763	LMNLWSXABOQTAP-ROFLEHJCSA-N	417.292	5.085	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C)Cc2ccc(C(C)(C)C)cc2)c1=S	915808024	PTYPYQVXJYMQJS-UHFFFAOYSA-N	407.587	5.049	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C\c3ccc(-c4cccc([N+](=O)[O-])c4)s3)ccc2N1	915993245	MKZXCFVQZTZLSA-TWGQIWQCSA-N	404.447	5.104	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1)Nc1ccccc1	916127923	ONBUMQOUCOFWHM-NTCAYCPXSA-N	423.415	5.202	30	20	HKED	
CCCOc1c(Cl)cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc1OCC	916137904	NNLGXFQJLIGMKT-KTKRTIGZSA-N	401.890	5.382	30	20	HKED	
CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)c(C(C)C)c1	916586908	JKKQHQAZODVYGT-KRWDZBQOSA-N	420.509	5.214	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nc2ccccc2s1	916627336	NEHVFTKAAOJGMJ-LJQANCHMSA-N	420.497	5.639	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917042819	FBBBONDFMYMUFH-BXUZGUMPSA-N	405.306	5.555	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccccc1CSc1nc(C)cs1	917525305	RBOVWEVYFADWSM-UHFFFAOYSA-N	400.594	5.634	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cccnc34)CCC2)cc1	1791247670	FRIZCQQKMDSZES-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CCC2)cc1	1792263887	GMTLMLFEYMJEHA-UEVCKROQSA-N	406.570	5.140	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)s2)CC1	1828823610	VLPOQGLROWVKGL-NHCUHLMSSA-N	414.615	5.058	30	20	HKED	
Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1	22728614	WDVLFVUBKWTVOF-UHFFFAOYSA-O	405.543	5.162	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)s1	22730818	USIZXLGGWJCMMS-UHFFFAOYSA-O	423.627	5.370	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1	25440008	WTOXRXSPBPYHNC-UHFFFAOYSA-N	405.523	5.637	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2noc(-c3ccc(Cl)cc3)n2)n1	29390845	CZSPMGPIEHHDEO-UHFFFAOYSA-N	410.808	5.276	30	20	HKED	
C=CCc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC	31391771	KMYVLFGZLJPFKW-GOSISDBHSA-N	408.523	5.019	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1	44518980	PXFQJLMXDMJCSL-UHFFFAOYSA-N	417.513	5.381	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl	58989363	GTBOFPHIBYGVPJ-IBGZPJMESA-N	405.841	5.085	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1Cl	79357234	TYZFLUJZMGZWHP-UPVQGACJSA-N	416.908	5.638	30	20	HKED	
CCCCCCCC(=O)c1cc2c(Br)sc(Br)c2s1	97972218	PVGRNELNZUKTEO-UHFFFAOYSA-N	424.223	7.031	30	20	HKED	
COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cs1	138783361	UMSXLYHRBDUPGF-INIZCTEOSA-N	417.515	5.432	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C	220098579	PXVHOCKCEAZAMJ-UHFFFAOYSA-N	423.513	5.092	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1nc(C(C)(C)C)cs1	303368702	JHKCOTOJIOPZPA-CQSZACIVSA-N	402.589	5.057	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1	303377596	LSFFSXVEJPJTEV-CRAIPNDOSA-N	422.579	5.917	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1	303518895	CSDOBXFYIPUKHM-UHFFFAOYSA-N	404.469	6.057	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C	409668259	XVYJGDGFRCLBDZ-GFCCVEGCSA-N	400.454	5.157	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2)cc1	430578314	ASHYOVWQXHYSOA-HXUWFJFHSA-N	418.518	5.926	30	20	HKED	
COc1cccc([C@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2Cl)c1	430626197	LNSAADPTEQOSEP-QFIPXVFZSA-N	422.937	5.484	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	431840646	AQWKZTAFLABLEW-UHFFFAOYSA-N	401.413	5.190	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1)c1ccccc1	433034722	TVSYFYPYZAGOEC-RUZDIDTESA-N	424.548	5.344	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F	433598333	FEYUQPFIHKORRE-LJQANCHMSA-N	421.859	5.345	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[C@H]1c1ccccc1	437860524	GKFMGVAMZXPZOV-HNAYVOBHSA-N	417.431	5.157	30	20	HKED	
CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	438644119	HFZPHZMPPPKNJG-UHFFFAOYSA-N	405.420	5.214	30	20	HKED	
COc1ccc(NC(=O)c2cccc(SCC#N)c2)c(OCc2ccccc2)c1	439016627	FAYRIPNXXAQBKI-UHFFFAOYSA-N	404.491	5.142	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN3C(=O)c3cn(CCCC#N)c4ccccc34)[nH]c2c1	444140556	MVJADBGAPIPGHZ-HSZRJFAPSA-N	411.509	5.107	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(-c2cccs2)c1	446861151	KEYIKBOFEXYFSE-HNNXBMFYSA-N	421.547	5.387	30	20	HKED	
N#Cc1ccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1F	464643121	LGUHGUHXZPLBHY-UHFFFAOYSA-N	419.243	5.016	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1Cl	466074523	FSLBCOPCVKNCOQ-QHCPKHFHSA-N	419.912	5.151	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H]1c1cccc2ccccc12	466596942	FTQGSNNSFQUMEG-OAQYLSRUSA-N	400.482	5.286	30	20	HKED	
Cc1noc(C2CC2)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	466890933	GGAHOYBPILGCIX-UHFFFAOYSA-N	404.445	5.106	30	20	HKED	
C=C[C@@](C)(CC)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC	467851619	MSUVFQCOQQCTPE-DEOSSOPVSA-N	410.514	5.277	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2sc([C@H](C)OC)nc2C)C(C)(C)C)cc1	467886139	MTXZKQUHTHUDFB-INIZCTEOSA-N	402.560	5.165	30	20	HKED	
Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C2)cc1	470565820	NHUWRMXRDFBIPC-RXVVDRJESA-N	400.478	5.057	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccccc1-n1cccn1	471493594	QPAFAFNRVYTJGO-HNNXBMFYSA-N	400.935	5.046	30	20	HKED	
Cc1ccccc1Cc1nnc(CNc2cccc(OCc3cccc(C#N)c3)c2)o1	471606176	QPWAZJKAQNVKOE-UHFFFAOYSA-N	410.477	5.032	30	20	HKED	
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	473589445	SEFURFDMRAVFFF-IBGZPJMESA-N	412.383	5.199	30	20	HKED	
COc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cccc1[N+](=O)[O-]	474900803	OFADAPKMSTVGDG-GOSISDBHSA-N	421.840	5.165	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OC)c(Br)c1	475562242	NFVLIAQGEZQWCG-UHFFFAOYSA-N	417.347	5.631	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1	475567289	KKBSNLFPVBGKQB-UHFFFAOYSA-N	415.528	5.412	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1ccnc(C#N)c1	476136837	GJMVVNIYABBMEW-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H]1c1ccccc1	480388159	XQGUFNCNMSRDOG-CLOONOSVSA-N	411.505	5.557	30	20	HKED	
COc1cc(OC)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl	482240626	HGKXEUSPGQMXBF-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1	482960895	IJCKIHMNLZMZSX-PGRDOPGGSA-N	423.513	5.074	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	485253559	PJIMXRGVWCXPEL-OAHLLOKOSA-N	408.317	5.290	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccccc3F)nc2)c1C#N	487116176	RXQRAPMFDHRWMT-UHFFFAOYSA-N	420.469	5.131	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1cccc2ccccc12	487361601	RWYUBLAIDNAMAG-MSOLQXFVSA-N	403.551	5.523	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)o2)cc1	489787604	NXFZZWGLLIHEGZ-ZDUSSCGKSA-N	415.902	5.074	30	20	HKED	
N#Cc1cccc(C2(NC(=O)N[C@H]3CCOc4c(-c5ccccc5)cccc43)CC2)c1	490098955	DMCNDCURRDFWKE-QHCPKHFHSA-N	409.489	5.037	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C	490494079	BSBZZWBDVBPDMV-UHFFFAOYSA-N	413.934	5.116	30	20	HKED	
C[C@H](OCCCNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1	497594420	YKABEKYBANOOSP-FQEVSTJZSA-N	414.505	5.035	30	20	HKED	
CCCn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	498696068	JFIUZYMBYWDZIA-INIZCTEOSA-N	410.930	5.437	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)[C@@H]1CCC[C@H](C)C1	499310437	GCCNFNSWWVELOS-CQSIOLINSA-N	419.569	5.201	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	499706149	DNQPZNYWFXBGOZ-UHFFFAOYSA-N	410.486	5.524	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc2onc(C(C)C)c2c1	500737765	JHEMQXDAUYHFIQ-UHFFFAOYSA-N	412.449	5.571	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4ccccc4Cl)on3)n2)c1	501109012	RJSMDRXVWCCAHR-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(F)(F)F)cc1	506641988	JBXJOKYVQKWFIV-SCLBCKFNSA-N	423.460	5.515	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	507903654	RESYYNYZBOXHCR-KSFYIVLOSA-N	411.461	5.197	30	20	HKED	
Cc1c(C(=O)NCc2nc(-c3ccccc3F)cs2)sc2ccc(C#N)cc12	508952858	SVRCQVUGUBMQCZ-UHFFFAOYSA-N	407.495	5.274	30	20	HKED	
CCCN(CC#N)C(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1	510761205	FTBVNHWXLGWRRT-UHFFFAOYSA-N	421.353	5.137	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1	514813966	MWZYZFOFIFXXMU-KBXCAEBGSA-N	403.935	5.101	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc4ccccc34)c2)c1	515446864	INVPYWIRTFYWTI-UHFFFAOYSA-N	411.486	5.206	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1cccc(C)c1	515559800	YQZCBVIGPCWWPX-FQEVSTJZSA-N	420.582	5.415	30	20	HKED	
N#Cc1ccc(CNc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1	515660763	IGRXMXOGNKXVGL-UHFFFAOYSA-N	413.374	5.581	30	20	HKED	
C=C(C)CCc1noc(-c2cccnc2Oc2ccc(F)cc2Br)n1	516813953	JVWJFHPNKRNWRW-UHFFFAOYSA-N	404.239	5.334	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)cc2)nc1	517670482	WYIDMAOXIPKOEH-UHFFFAOYSA-N	409.449	5.142	30	20	HKED	
CN1CCC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)[C@H]1c1ccc(C(F)(F)F)cc1	519573435	XAQLBGBLUJWEFD-WTIAFYNJSA-N	413.487	5.237	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2cc(C)sc2C)cc1OC	520206682	AKFUZJJOLIHAAP-CYBMUJFWSA-N	410.377	5.552	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccccc1Br)c1ccc(Cl)c(Cl)c1	520271476	QZIJELQGPXJADR-INIZCTEOSA-N	412.114	5.070	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2)n1	520916099	LJMJKIKUHPVLIM-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1c(Cl)cccc1Cl	521746133	AYVBAQJVVZEWND-CYBMUJFWSA-N	408.354	5.909	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CCC3)cc1	521886496	ZHWJYRJQTQKJDF-SFHVURJKSA-N	406.467	5.088	30	20	HKED	
Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	523421657	LIVIHUSNESNZNJ-LHSJRXKWSA-N	422.916	5.353	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)c1ccc(F)cc1	524405283	KWRSSIPBFAGHRN-UHFFFAOYSA-N	416.452	5.186	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)o1	524831774	GLOODUZBLFROQA-XLIONFOSSA-N	411.571	6.385	30	20	HKED	
CCC(CC)c1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)on1	525561479	HDXKNUIPWJHMBA-UHFFFAOYSA-N	403.482	5.476	30	20	HKED	
C=CCn1c(SCc2nc(O)c3ccc(Cl)cc3n2)nnc1-c1ccc(C)cc1	532016940	NKWVIBMMTLHAPT-UHFFFAOYSA-N	423.929	5.034	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cccc1-c1ccccn1	532852079	QGLSCBAXZAWVKF-KRWDZBQOSA-N	402.404	5.292	30	20	HKED	
COc1ccc(CSc2nnc(SCc3ccc(OC)c(C#N)c3)s2)cc1	533468798	HJNBOUOWTKAAQX-UHFFFAOYSA-N	415.565	5.012	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)noc1C	533856187	GEBXRPXZBLKTCB-FPOVZHCZSA-N	422.916	5.873	30	20	HKED	
Fc1cccc(-c2cnc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)o2)c1	537222149	XBFVNTPCJCGTSY-KRWDZBQOSA-N	418.312	5.893	30	20	HKED	
CCN(C(=O)c1cc2cc(C(F)(F)F)ccc2n1C)c1ccc(C#N)c(Cl)c1	538073656	HLGPBJABUXHIOT-UHFFFAOYSA-N	405.807	5.389	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCCC(F)(F)F)s2)c(C(F)(F)F)c1	538845074	HEPMPKHJWKNXRA-UHFFFAOYSA-N	421.366	5.295	30	20	HKED	
Cc1nn2c(CNCc3ccc(-c4ccccc4C#N)cc3)c(C(C)C)nc2s1	540202879	OCIKDWODQMVXNA-UHFFFAOYSA-N	401.539	5.051	30	20	HKED	
CCCN(C(=O)c1ccc(CC#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	540754515	RODHQSQSEVKJLV-XMMPIXPASA-N	401.485	5.237	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1ccc(-c2cccc(C#N)c2)cc1	541156731	KTPRBENJYOAXOE-MRXNPFEDSA-N	406.917	5.120	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(CCC(F)(F)F)c1	542230852	HJPSTNRFSATALC-UHFFFAOYSA-N	414.387	5.060	30	20	HKED	
CN(C(=O)C1CCC(F)(F)CC1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	543108818	DZGGVZZTNKOPJU-ZDUSSCGKSA-N	403.313	5.593	30	20	HKED	
C=C(C)[C@H](Cc1nc(-c2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)no1)OCC	544495005	FDFCDWMBRPXLPH-SFHVURJKSA-N	420.435	5.082	30	20	HKED	
N#CCCC[C@H](N[C@@H]1CCc2c(Cl)cc(Br)cc21)c1ccccc1	550827938	STLPRCCZBQMTTH-VQTJNVASSA-N	403.751	6.115	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1cccc(OCCCC#N)c1	551452513	RSIOBKHSCVKPOK-LJQANCHMSA-N	405.542	5.162	30	20	HKED	
Cc1noc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	562133198	ZWPSKROFLFTVPC-GOSISDBHSA-N	423.860	5.064	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccccc2)C1	571229245	YUSZXGPAXLYUTE-SGNDLWITSA-N	414.553	5.093	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)o1	571306709	CFGIRYFWJNMWDF-DNVJHFABSA-N	412.489	5.139	30	20	HKED	
CC(C)(C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1cc(F)cc(C#N)c1	571441636	KXPKAMVLDNUVBT-UHFFFAOYSA-N	412.358	5.084	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1cccc(F)c1	573884669	DNXAVHQVFUNVAM-JXFKEZNVSA-N	410.468	5.224	30	20	HKED	
Cc1c([C@@H](C)NCc2ccc(C#N)cc2C(F)(F)F)cnn1-c1ccc(F)cc1	576676381	LACWKJKXWXUWPZ-CYBMUJFWSA-N	402.395	5.061	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCc2ccc(C#N)cc21	579451111	VOKIZQCPMGQGRX-CQSZACIVSA-N	423.925	5.078	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1cc(C#N)c2ccccc2n1	583589442	UAXQFWJOZMOZLW-UHFFFAOYSA-N	423.259	5.629	30	20	HKED	
N#CC1(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)CCCCC1	585719498	XGGQOTLDPDENBE-UHFFFAOYSA-N	407.464	5.388	30	20	HKED	
Cc1nc(C(C)C)oc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	590561484	BERWXIWCSSENIX-UHFFFAOYSA-N	405.523	5.200	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ncoc1-c1ccccc1	601446546	XAJANMFGVSHYGN-UHFFFAOYSA-N	415.262	5.072	30	20	HKED	
N#Cc1cccc(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1	603510634	FLUBMKPXJLZOGG-UHFFFAOYSA-N	415.443	5.234	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	604003577	FYTMOHRLZGMNIT-WZONZLPQSA-N	414.505	5.619	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@@H]1c1c(F)cccc1F	604699462	SWRGPFAMXOCYJB-MTVMDMGHSA-N	415.324	5.094	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	609191359	HLUQBXDNQGTSAK-UHFFFAOYSA-N	423.607	5.869	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1cc(Cl)ccc1C#N	609285758	DWEBQHAIAAMTRI-UHFFFAOYSA-N	412.848	5.580	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1	609436837	HMFDETCAQNKVAP-GGPKGHCWSA-N	408.571	5.038	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1	609573001	LNXHMTHMHYGBPY-IIBYNOLFSA-N	421.932	5.656	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1	609642816	UNKPKYDALVVFGU-UHFFFAOYSA-N	413.452	5.133	30	20	HKED	
N#C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C1CCCCC1	609649005	SGDIFSFOLKCGAS-SFHVURJKSA-N	401.967	5.085	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccccc1SCc1ccc(C#N)cc1	609665250	DYLJHXUHDRMQSJ-WMZHIEFXSA-N	412.558	5.869	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1	609722307	RNABVGVHCXRLEA-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1	609836224	VTHBVJISQQNPBK-FQEVSTJZSA-N	422.941	5.058	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)c1C	610053495	IGVAOJKJMXPMQD-DNQXCXABSA-N	406.489	5.256	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	610319765	JPCRAVRUIQUMSF-QHCPKHFHSA-N	412.493	5.813	30	20	HKED	
Cc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	610783700	LUKUWJMTIKYOEL-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](c2ccco2)C1	614137909	YSVWQETUSBSFKP-UZLBHIALSA-N	402.454	5.344	30	20	HKED	
C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)n1	615024802	WOJFGJGRGDFGHV-SJORKVTESA-N	405.527	5.531	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2s1	621026903	GNTXGJWVNNXWAX-AWEZNQCLSA-N	406.536	5.242	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)Cc1cccs1	679611859	SRSKITUVBCBXPH-UHFFFAOYSA-N	401.532	5.217	30	20	HKED	
C=C(C)[C@H](NC(=O)Cc1sc(C)nc1-c1cccs1)c1ccc(F)c(F)c1	681246136	RYUNARFFRSYVLK-IBGZPJMESA-N	404.507	5.434	30	20	HKED	
COc1cc2c(NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)ncnc2cc1F	681378253	TUSXYGRFGAOOTB-IUCAKERBSA-N	411.321	5.099	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cn4cc(Cl)ccc4n3)cc2F)c1	728202214	WFOSUXGLEGCBJJ-UHFFFAOYSA-N	406.848	5.190	30	20	HKED	
CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1	730572059	SDYHILQNAQDOIA-UHFFFAOYSA-N	405.542	5.057	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)c1ccc2ccccc2n1	731768396	IEDFOYDQLSTACZ-OSJHKOOESA-N	407.473	5.461	30	20	HKED	
CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(Cl)c(Cl)c1	731975249	APRQUVBGWHQDGY-OAHLLOKOSA-N	405.325	5.438	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	733034086	VBDQZPFBAXYQIL-LIRRHRJNSA-N	401.482	5.728	30	20	HKED	
N#CCCN(C(=O)CCC(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1	733680842	BQLBKKORTDXPED-UHFFFAOYSA-N	412.489	5.046	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC)c1ccncc1	739021085	UPBMBTGOBWXPTP-WOJBJXKFSA-N	401.938	5.447	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2[C@H]3CC[C@H]2c2ccccc23)c1=S	739878760	HGADEPYGRQKYIG-PMACEKPBSA-N	404.539	5.125	30	20	HKED	
COc1cc(CNCc2cc(C#N)ccc2F)ccc1OCc1ccc(Cl)cc1	742382014	XKKCAMFGSGFABP-UHFFFAOYSA-N	410.876	5.228	30	20	HKED	
CSc1cccc([C@H](NC(=O)c2ccccc2OCC#N)c2cc(F)ccc2F)c1	744372562	IJFQUZKWTAHJGT-QFIPXVFZSA-N	424.472	5.108	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1cccc(F)c1)C1CCCC1)c1nc2ccccc2s1	746158091	VFVXZANIBNGEOO-LJQANCHMSA-N	407.514	5.056	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCC(N3CCCCC3)CC2)cc1	750988102	BAEYGHFERAZASS-STEQJIOHSA-N	416.569	5.261	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(Cl)cc3c2OCC3)cc1	754109865	QEGFHONBNXEGHP-JOCHJYFZSA-N	402.881	5.112	30	20	HKED	
N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	754524724	IIUXZANIJXQEOY-ZDUSSCGKSA-N	417.317	5.833	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NOCc2ccc(F)cc2)cc1Cl	755947819	PGQGXFJWJWHVFK-HXUWFJFHSA-N	409.848	5.388	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNCc2cc(Cl)cc(Cl)c2OC(F)F)cc1	756900489	WKGANBRFTFENCU-LLVKDONJSA-N	401.240	5.175	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3c(Cl)nc4ccccn34)c21	757530053	QHYKCQVJMMQKCJ-KHPPLWFESA-N	423.900	5.181	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(C(C)(C)C)s1	759719818	NMRHBUUPKJPORP-ZDUSSCGKSA-N	405.614	5.566	30	20	HKED	
O=C(/C=C/c1nc2ccc(F)cc2s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	761481242	WOXXUDGBGQLBSA-VAWYXSNFSA-N	415.511	5.048	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1OCC#N	761670753	UFTWZJNKNDMLHK-LJQANCHMSA-N	409.486	5.204	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(F)cc2)n1)c1cc(Br)ncc1F	762424466	HMFYGMJFEPIZHR-WAYWQWQTSA-N	407.239	5.142	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1	762534847	YGBIVBOYQBIBDJ-UONOGXRCSA-N	413.593	5.667	30	20	HKED	
C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	765969929	YMXFHLRNSZAPGN-AOMKIAJQSA-N	419.456	5.123	30	20	HKED	
N#C[C@@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc(Cl)cc1	768155537	FNHBBAFHUKPHMK-MRVPVSSYSA-N	409.487	5.343	30	20	HKED	
COc1cc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)ccc1OCc1ccccc1	768201369	WKQITGDVONAMGI-HXUWFJFHSA-N	416.521	5.197	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)n1C	773258576	CBAQEPDKFJZHIF-HSZRJFAPSA-N	422.492	5.090	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C/C(=O)c1cccc(C(F)(F)F)c1	774122849	XNRMBKNPGDKRIY-MDZDMXLPSA-N	402.821	5.049	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(OC)cc1	776085198	YYUZQXFCNDQTFZ-HOTGVXAUSA-N	412.461	5.467	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(=O)c1ccc(Cl)cc1	777319100	XPSJXGCIWQWKSY-IAQYHMDHSA-N	400.862	5.174	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)ccc1Oc1ccccc1	777962638	VFYNPOJKXPHEBZ-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1	779141902	ULASGYVNDXBESW-KNQAVFIVSA-N	424.495	5.259	30	20	HKED	
COc1ccc(-c2cc(C(=O)O[C@H](C)C(C)(C)C#N)c3ccccc3n2)cc1OC	780457183	MQYNZUILCMDCIS-OAHLLOKOSA-N	404.466	5.014	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	782774778	GXMSWZGYYFRCCW-UHFFFAOYSA-N	409.530	5.521	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccc(Cl)cc2)s1)c1cccc(N2CCOC2=O)c1	789129598	WDQPYBORUCBKEH-CMDGGOBGSA-N	410.882	5.316	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1ccccc1C(F)(F)F	789450093	CRQVYGVBONTUIU-IBGZPJMESA-N	406.448	5.412	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1	789887384	CRKFYYJXZUJFCT-UHFFFAOYSA-N	400.563	5.514	30	20	HKED	
C=CCn1c(SC[C@H]2CC3(CCC3)C(=O)O2)nnc1-c1ccc(C(C)(C)C)cc1	790159194	CLYSYBJMIKFXHM-GOSISDBHSA-N	411.571	5.007	30	20	HKED	
C[C@]12CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C[C@@H]1C2(Cl)Cl	791204712	FOONQNZAUKIFSE-ICSRJNTNSA-N	417.361	5.365	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	802045123	FUSNQXLAPRUIAT-SUMWQHHRSA-N	410.926	5.768	30	20	HKED	
CN(C)c1cccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	805857738	FZBDAZZVTJQZNE-INIZCTEOSA-N	417.456	5.190	30	20	HKED	
Cc1ccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2c1	810531568	NBTJKGFVEMFSLT-ZDUSSCGKSA-N	403.290	5.478	30	20	HKED	
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(SC(F)F)cc1	852182574	YBIDWVZTRGLZBH-UHFFFAOYSA-N	404.360	5.009	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(C)cc2)o1	912803569	HEVXLLSKEHVECE-UHFFFAOYSA-N	404.495	5.083	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1	914456536	VUMRMLONMMJVOD-UHFFFAOYSA-N	415.456	5.211	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)c1Cl	915101968	PAVNIQMCSFLCDJ-NSHDSACASA-N	410.713	5.599	30	20	HKED	
N#C[C@H](C(=O)COCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915103383	UWUNSEMOFUHDTH-MRXNPFEDSA-N	417.317	5.510	30	20	HKED	
C=CCN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(C)C	915148156	YPSJWLREIKTEGI-NBVRZTHBSA-N	421.522	5.558	30	20	HKED	
N#CCOc1cccc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1	916410782	JXZPMSWBLPGZOC-UHFFFAOYSA-N	410.804	5.728	30	20	HKED	
Cc1[nH]c2ccccc2c1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl	916582082	FHKPSMVLZSXYDI-UHFFFAOYSA-N	402.310	5.213	30	20	HKED	
Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916975970	HGPBEVBBZXZHPG-SFHVURJKSA-N	410.926	5.807	30	20	HKED	
N#CCOc1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1	917644620	ZJVURBQYYZQDBO-MOSHPQCFSA-N	402.500	5.148	30	20	HKED	
C[C@H](COc1cccc(F)c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	918548256	QYORLOUWRLQAHQ-UZUQRXQVSA-N	403.457	5.070	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2csc(COc3ccccc3)n2)S1	918713432	LIDFEDKAKCXKJY-WOJGMQOQSA-N	421.547	5.231	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3cccc(C)c3)n2)cc1	920143839	TUAGNFOPJMFMPQ-FQEVSTJZSA-N	406.507	5.163	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC)cc4Cl)CCC3)cc2)C1	1785809109	QEEWOWBGIPAJEA-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)CCCC1	1785905287	GCWIUDFRPSBIMC-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3cccs3)CCC2)cc1)C(F)(F)F	1791305596	UXDJEBDMHJCOKM-ZDUSSCGKSA-N	422.472	5.104	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1	1792242497	RKKNIROJCMXWLY-JCNLHEQBSA-N	408.464	5.065	30	20	HKED	
C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1	1847226486	FPTMNFVRFMZYRG-GOTSBHOMSA-N	422.613	5.063	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(C)c2)cc1	10167496	BRERNRBWGCULRF-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
C=CCN(C(=O)c1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	18085200	UAUOOODLJXVAGG-UHFFFAOYSA-N	408.310	5.555	30	20	HKED	
Cc1cccc(-n2c(SC[C@H](C#N)CCC#N)nc3sc(C)c(C)c3c2=O)c1C	24097087	CLPVSXFFYJSNDS-KRWDZBQOSA-N	422.579	5.217	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(-c2ccccc2Cl)n1	26381426	UMLFHDTZKBUIJT-UHFFFAOYSA-N	419.289	5.145	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(Cl)cc1	31616277	YJLODXXZHKCEHG-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	41534075	HDGZRLSAKHJICY-CQSZACIVSA-N	407.545	5.794	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1	57002755	HZWXDKXUJRSCFJ-UHFFFAOYSA-N	403.482	5.346	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc(OC)c1OC	57796902	FJHMLOZVDOSZFC-UHFFFAOYSA-N	413.477	5.228	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(CN4CCCC4)cc3)c2)c1	60961191	YJEHPUJQGMPHRP-UHFFFAOYSA-N	411.549	5.023	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccccc2Oc2ccccc2Cl)cc1	107788372	FMLNQFDKMXODCZ-UHFFFAOYSA-N	408.910	5.876	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2)cc1	108375448	LKLWJOROYLDZIE-UHFFFAOYSA-N	411.288	5.891	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2cccc(-c3ccccc3C)c2)ccc1OC	236897009	KESMBZHGKJMWRR-HSZRJFAPSA-N	400.522	5.641	30	20	HKED	
COC(=O)c1ccc(-c2nc(CSc3nc4c(cc3C#N)CCCC4)cs2)cc1	303076069	ZFUCXANRJYTORK-UHFFFAOYSA-N	421.547	5.034	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	303291717	BFMXGJSVNFCYOI-YUELXQCFSA-N	405.350	6.130	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1	303299336	OGELAVHOSVLUDL-XYPHTWIQSA-N	415.356	5.443	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccco1	428376660	VWIIAPUVNOWWLR-UHFFFAOYSA-N	410.543	5.143	30	20	HKED	
N#CCC1(CNC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)CC1	431199034	VTDQENRPNPXXKA-UHFFFAOYSA-N	417.431	5.333	30	20	HKED	
CCC(CC)n1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1	431942979	ULQKTCSLQNYREL-UHFFFAOYSA-N	402.498	5.256	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccccc1	432818883	MBDFDCDQWIZWFU-HNNXBMFYSA-N	402.376	5.403	30	20	HKED	
Cc1ccc([C@H](NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c2cccs2)cc1	433029346	SBRVTSDXXVEWSX-DHLKQENFSA-N	417.578	5.287	30	20	HKED	
CC(C)[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccnc1	436124207	AJIWRFMQNWOLJL-JTHBVZDNSA-N	403.913	5.769	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](CSc2ccccc2)C1	438062543	WTHUUHCQRNNWBE-ROUUACIJSA-N	411.596	5.727	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1	439134452	LOHGGCJAAHIQKU-UHFFFAOYSA-N	416.437	5.338	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)c1ccccc1	440235214	CLPBZVBZPGABES-HXUWFJFHSA-N	402.325	5.712	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)[nH]c12	442731862	KPVYHHAWWLDABN-MRXNPFEDSA-N	405.379	5.446	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(Br)s2)cc1OCCCC#N	443006624	XSRWOVFIXYZQJT-CYBMUJFWSA-N	409.349	5.053	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)CCCC1(C)C	444949751	KUVFFXINUKXLHG-FQEVSTJZSA-N	410.518	5.185	30	20	HKED	
CCc1noc(CC)c1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	446774898	HWWIKSUEXXOTNU-SFHVURJKSA-N	422.916	5.430	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F	448348366	JZMXUYPVHLPWIG-NSHDSACASA-N	409.389	5.118	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1sccc1C#N	460327421	AFPMWSXUZGAUEU-UHFFFAOYSA-N	418.497	5.917	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@@H](c2ccc(F)cc2)C[C@H]1C	460808955	KQOXRVSKDXUVNT-KNQAVFIVSA-N	420.532	5.093	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	470490965	CLWDJKGDYYWMQF-FQEVSTJZSA-N	412.537	5.549	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ncc(C(C)(C)C)o2)n(Cc2ccccc2)c1C	474406877	HAZMESZFWUUJCG-UHFFFAOYSA-N	422.554	5.041	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1	476121707	HOBFPDUQXBOOHK-FQEVSTJZSA-N	411.545	6.512	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nncn1-c1ccc(C)cc1	476122328	QQJRDYPPWDHUBR-UHFFFAOYSA-N	406.555	5.158	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)ccn1	477125707	XWMVEWQYSOPNRW-UHFFFAOYSA-N	402.668	5.833	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Br)cc1CC	478050270	WXTJSCAZUNNJLO-UHFFFAOYSA-N	419.367	5.399	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2csc(-c3ccco3)n2)cc1	478888566	VAIUPAOAEOSDPW-UHFFFAOYSA-N	419.437	5.136	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCCc4occc43)cc2F)c1	481595359	ISUWZZFUNREZNV-FQEVSTJZSA-N	405.429	5.068	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1	482217490	XLCJNNRGAZQOMT-HXUWFJFHSA-N	403.448	5.420	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(C)cc1	489632496	WDWXKZBVHQVDJJ-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3csc(-c4cccs4)n3)o2)cc1	489756496	KZNDKCSPYLJZQD-UHFFFAOYSA-N	413.549	5.779	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(SCC(F)(F)F)c1	493536719	LSKBIBPQKOIQJI-LBPRGKRZSA-N	411.474	5.383	30	20	HKED	
N#Cc1cccc(CNC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1	496673920	VAEDLVVXEUXWIY-HSZRJFAPSA-N	406.938	5.351	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c12	499302429	UMJYMELXWKAROC-UHFFFAOYSA-N	402.498	5.227	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1C(F)F	507369283	JCUORQFEEZJAEF-QWHCGFSZSA-N	418.328	5.528	30	20	HKED	
CC1(C#N)CCN(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1	508008828	YNPSWYMKYIBJEG-LJQANCHMSA-N	420.944	5.288	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cccc(C#N)c2C)c1	509132462	PAHKSEGVAUHTSO-LJQANCHMSA-N	411.505	5.229	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1	511971450	HFPHQQVXPYLXDU-ROUUACIJSA-N	404.407	5.518	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)NCC(C)(C)CCC#N)C(C)C)cc1	513108208	LISQUYNKDDIHGD-UHFFFAOYSA-N	407.558	5.612	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c(Cl)c1	513201945	RJZJTFQWKAJEGF-INIZCTEOSA-N	405.885	5.752	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCCCC4)nc3)cc2)cc1	518370928	LCCCWVCDIZRGNI-UHFFFAOYSA-N	412.493	5.183	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl	518739117	OSADVKYPUQKGNN-NSHDSACASA-N	421.374	6.855	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(-c3ccncc3)cc2)c1	523512861	WCRCUFHNVXPRJI-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1OC	523883012	CSWKIOMUWWSKSY-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
C[C@@H](C1CC1)n1nccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523970611	RZISIIUFSKYPIO-AWEZNQCLSA-N	406.873	5.424	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1F	525114986	BVLSVFWXSYMVTR-UHFFFAOYSA-N	413.518	5.265	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1	530394501	HDYFTUPTIFYMLB-JOCHJYFZSA-N	402.542	6.092	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC3(c4ccc(F)cc4)CC3)c2)cc1	531456956	DQUIIMKHRQZRQI-UHFFFAOYSA-N	415.468	5.282	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)cc2)cc1	536215739	RSQULONYMWHCRU-UHFFFAOYSA-N	418.403	5.611	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C)C2(CCC2)C1	536735116	MFVPRUKDEJFNDK-LJQANCHMSA-N	403.526	5.490	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	537436246	ZCIPYVWTMNIUCU-FZKQIMNGSA-N	403.910	5.091	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1	540149737	YWGNHMGYUYUZJR-MGPUTAFESA-N	411.489	5.467	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ncc(-c2ccccc2)[nH]1	541094412	LAOPJUXQLACFBB-FUHWJXTLSA-N	419.554	5.601	30	20	HKED	
C[C@H](N[C@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc(-c2cccc(C#N)c2)cc1	542004905	UBPIECNDTDYCKO-JKSUJKDBSA-N	405.448	5.181	30	20	HKED	
C[C@]1(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCCO1	542159506	DWOOUDOTYGOHIN-WCQYABFASA-N	423.275	5.013	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(Cc3ccc(C(F)(F)F)cn3)no2)c2ccccc21	545001974	CYADEKYBOMNXRA-TWGQIWQCSA-N	423.398	5.113	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	546209378	BNAFTRAMKFJJNN-KRWDZBQOSA-N	405.420	5.184	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	557727566	IAWGEHRXNRPJDB-KRWDZBQOSA-N	411.461	6.322	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](COC)C1	558981744	KHKIHHYWKFTIIL-PMACEKPBSA-N	420.557	5.010	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@H]1[C@@H]1CCCO1	568690774	FTOUIPGWHDASFK-SFTDATJTSA-N	410.901	5.034	30	20	HKED	
COc1ccc([C@H](CCC#N)NCc2ccc(Oc3cc(C)ccc3C)nc2)cc1	574028788	HEGGYFURSQQDIY-QHCPKHFHSA-N	401.510	5.634	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1-c1ccccn1	574089257	HTJMCOBGFGFZHG-UHFFFAOYSA-N	422.444	5.068	30	20	HKED	
C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(F)c2ccccc12	575353327	SUAMLSKAUZWJJY-KRWDZBQOSA-N	412.468	5.247	30	20	HKED	
COc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1OCCCC#N	579622789	FVLYJHPGPYZDJP-UHFFFAOYSA-N	404.432	5.175	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@@H]1C(F)(F)F	581137624	XMIOJTVHCSIGHC-SFHVURJKSA-N	418.419	5.188	30	20	HKED	
CCOc1ccc([C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1OCC	603656364	PPBUJQPTDGHZIQ-HSZRJFAPSA-N	423.557	5.804	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccccc4Cl)on3)cn2)cc1	603764264	JVFLUZJACGPHQC-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1c(C#N)cnc2ccc(OC(F)F)cc12	604520313	DQSOSZINQWZMLH-SBUREZEXSA-N	423.463	5.312	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ncccc1OCCCC#N	608868705	JDRSLTPFESJWQJ-UHFFFAOYSA-N	412.902	5.102	30	20	HKED	
CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	609376871	KPKMPTAUUGLBNV-LSDHHAIUSA-N	413.568	5.016	30	20	HKED	
CC(C)c1ccc(C(C)(C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	609385771	QVGYUMKJNDUOON-GOSISDBHSA-N	409.599	5.525	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	609431908	YPIJUZQGPRQJFW-HNNXBMFYSA-N	422.529	5.204	30	20	HKED	
N#C[C@@H](NC(=O)c1csc(-c2c(F)cccc2F)n1)c1cccc(C(F)(F)F)c1	609460408	LFELJVLTGYIBJW-CQSZACIVSA-N	423.366	5.102	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)s1	609506005	HDBIWDCZNOQZHU-MRXNPFEDSA-N	405.523	5.452	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2nc1O	609526083	ORCUFEJHBJNCKN-UHFFFAOYSA-N	411.436	5.107	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1	609683844	QLKSNKPHSVEBDB-HXUWFJFHSA-N	413.521	6.141	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)sc1C	609930459	IQJJJIPOCZGJLT-UHFFFAOYSA-N	406.511	5.481	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(F)c1	610219080	SOQFSZWYJQBGJM-JOCHJYFZSA-N	410.901	5.349	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	610240336	QAESANRNIZRUPX-ZUZCIYMTSA-N	401.215	5.497	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F	611186717	BABRSIINXJPACQ-UHFFFAOYSA-N	412.465	5.694	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1	615628575	CHWWIWISPLDFJT-QGZVFWFLSA-N	408.498	5.299	30	20	HKED	
Cc1cc(C)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1CO	615894304	RASLMLLYJLSPPQ-UHFFFAOYSA-N	406.869	5.365	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1	624723276	BQZZIRSUPQMOMR-UHFFFAOYSA-N	416.433	5.032	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674444430	YKLPCUSLQIYERE-TVYUQYBPSA-N	421.303	5.083	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	684695764	GQPWSVCYWSUGRY-IUCAKERBSA-N	420.300	5.502	30	20	HKED	
O=C(Cc1cccc(Cl)c1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	685604932	DFJMPDAVGOULFR-NXEZZACHSA-N	405.741	5.047	30	20	HKED	
N#Cc1ccc(NN=C2C(=O)Nc3ccc(-c4ccccc4)cc32)cc1C(F)(F)F	726426101	PIGQTIHHTCVRDE-UHFFFAOYSA-N	406.367	5.012	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3cn(C)c4ccccc34)cs2)cc1	726740492	HXUILALUZDFJJK-GHXNOFRVSA-N	404.491	5.119	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1	727845690	VDEARMXDPIVBTB-QHCPKHFHSA-N	419.550	5.363	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	727979412	XWMVJNIYBDDRNR-UHFFFAOYSA-N	417.921	5.581	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1OC	729401948	KXZZIUXDBLGZQD-RIYZIHGNSA-N	424.497	5.259	30	20	HKED	
Cc1cc(Cl)ccc1O[C@H](C(=O)Nc1cccc(OCC#N)c1)c1ccccc1	730171842	CHRJTVDRYSTBSR-QFIPXVFZSA-N	406.869	5.310	30	20	HKED	
C#Cc1cccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c1	731536523	QJOKTHWLKUSZNR-UHFFFAOYSA-N	424.504	5.211	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cnc(-c3ccccc3Cl)s2)c1	733775431	UTOPNOGXQISQIT-OAHLLOKOSA-N	411.914	5.074	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COc3ccccc3)c2)c1	733844233	UJYWJPBXFQOWJB-JOCHJYFZSA-N	415.493	5.268	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Cl)cs1)c1nc(-c2c(F)cccc2F)cs1	737325351	BMXIEZPFOKEWCM-LBPRGKRZSA-N	408.882	5.612	30	20	HKED	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	742537128	GZLTWZCPGJJWKJ-YADHBBJMSA-N	419.525	5.070	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(Oc3cnccn3)cc2)ccc1SC(F)F	743057506	TULLOJPLHDDFSG-XBXARRHUSA-N	414.433	5.488	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(COC(=O)Cc2ccc(C#N)cc2)n1)c1ccccc1	744290538	CQSPRXDLEDUNKL-MRXNPFEDSA-N	406.869	5.033	30	20	HKED	
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	744361416	LDDZIOMUCGWGBY-UHFFFAOYSA-N	415.518	5.121	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Oc2ccccc2Oc2ccccn2)cc1OC	748678219	KQPKCXOKAOLSOC-WYMLVPIESA-N	403.434	5.066	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2cc(F)ccc12)c1nc(-c2ccc(Cl)cc2)cs1	749027101	WCWYROLERVSEEV-QGZVFWFLSA-N	410.857	5.768	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(C(C)=O)cc2)cc1	751015608	WVBIMAKPPMWGDP-UHFFFAOYSA-N	417.490	5.371	30	20	HKED	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1	752278738	UVXHAZGASPYHRY-HNAYVOBHSA-N	408.548	5.013	30	20	HKED	
C[C@@H](OC(=O)COc1ccc(C#N)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753322534	WFNGMTWAEZEIRK-GFCCVEGCSA-N	417.248	5.203	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C(C)=C\c1ccccc1Cl	756510257	SZZAOXPFVHAECF-ODDCISTRSA-N	417.292	5.061	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)C1CCCC1	756547796	LTSPBCPJAJVZDT-UHFFFAOYSA-N	421.488	5.224	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(CSc4ccccc4)cc3)CCO2)c1	762314524	XTDCFTOUVAMNAW-DEOSSOPVSA-N	414.530	5.064	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(OCC#N)cc1	772957867	CBGWFMTUJGJQKO-RBUKOAKNSA-N	404.485	5.719	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(COc3ccccc3)cc2)c1	774140474	NUMQVBZJTLSONT-JOCHJYFZSA-N	415.493	5.268	30	20	HKED	
CN(C)C(=O)Sc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1	777980236	APOZPFRJWMEVKV-UHFFFAOYSA-N	417.490	5.377	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	779713177	QMDQMXGSOVMYGP-NWDGAFQWSA-N	411.811	5.089	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)c(F)c1	781108669	SNNZWUSGXKZVGP-FNORWQNLSA-N	413.271	5.479	30	20	HKED	
Cc1nc(C)c2c(C)c(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)sc2n1	782379655	ATXHRQJDTMBDHO-MRXNPFEDSA-N	412.562	6.006	30	20	HKED	
CO[C@@H]1Cc2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2C1	784225218	MCPTZVHPKCAUAO-OAQYLSRUSA-N	400.503	5.075	30	20	HKED	
CN(Cc1ccccc1)c1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1	788522454	BAXHEPVZMJQSPA-UHFFFAOYSA-N	422.536	5.107	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	796644306	VIPVPALWMRCCAN-MISXGVKJSA-N	407.322	5.298	30	20	HKED	
N#C[C@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccncc2)cs1	802053927	DJJANRRXKCODHJ-ZBFHGGJFSA-N	405.376	5.111	30	20	HKED	
CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1	814271764	OZYKABVDWBLRAE-AQTBWJFISA-N	413.955	5.096	30	20	HKED	
C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	904508245	JPRSONJCWLDQIW-OAHLLOKOSA-N	400.413	5.281	30	20	HKED	
N#CCCCCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	904670464	MLCXYMSJTWWFCY-UHFFFAOYSA-N	422.794	5.832	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(Br)c2)cc1	915085980	GPQRCGMXIXYDAX-NRFANRHFSA-N	421.294	5.122	30	20	HKED	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353090	QPYQTXOHAUKMLQ-RUZDIDTESA-N	421.504	5.192	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1	916913294	PKEISHRPKKNKPY-QHCPKHFHSA-N	421.500	5.213	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917026293	DKRCUFZKUBJEIO-NRFANRHFSA-N	416.546	5.992	30	20	HKED	
N#C[C@H](C(=O)COc1ccccc1C(F)(F)F)c1nc2cc(Cl)ccc2s1	917047015	OPGFWWBSEJQSLU-LLVKDONJSA-N	410.804	5.224	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O	917457273	DTGQZJKRXXDAOI-UHFFFAOYSA-N	422.532	5.113	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4ccccc4c3Cl)n2)cc1	920141688	LSNOAGUBGMBEKP-OAHLLOKOSA-N	419.918	6.040	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1	920880103	XJLUHJHAIRSYDP-CQSZACIVSA-N	416.811	5.121	30	20	HKED	
N#Cc1ccc(CN(Cc2ccccc2F)c2ccc3nc(O)[nH]c3c2)c(Cl)c1	1307536374	UWSBQZYLRVPVQJ-UHFFFAOYSA-N	406.848	5.139	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CC(=C)C)n[nH]1	1819554808	PUICRDFPWYYDJS-QUCCMNQESA-N	412.578	5.163	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C	14063900	LSJJUZAJKSMGPQ-UHFFFAOYSA-N	423.325	5.070	30	20	HKED	
COc1ccccc1-c1nnc(SC[C@@H](C#N)CCC#N)n1-c1ccc(Cl)cc1	15241963	HTTIGUMNBPGRQF-OAHLLOKOSA-N	423.929	5.132	30	20	HKED	
CCCOc1c(Br)cc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC	20885970	IBWVFMRHHKWAAR-UHFFFAOYSA-N	423.694	5.024	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	22744951	LINFGEIWGGWPRY-AREMUKBSSA-N	415.606	5.856	30	20	HKED	
C=C(C)CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S	31435561	AKJSRFMPBZQRJN-CXUHLZMHSA-N	402.522	5.101	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C)Cc3ccc(C#N)cc3)cc12	32614550	DSROVFJJTYNPCX-UHFFFAOYSA-N	420.925	5.193	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)oc2cc(C)c(C)cc12	32788302	MIUORPZQSFIJAA-UHFFFAOYSA-N	417.534	5.070	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	47951117	JEOMBOGJXSKEOR-UHFFFAOYSA-N	405.523	5.529	30	20	HKED	
COc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC	72025228	CNPBIDNSOHCGQI-NTUHNPAUSA-N	414.461	5.328	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1	116712710	QQWCTBPGWHBRKG-UHFFFAOYSA-N	404.491	5.055	30	20	HKED	
COc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(CC#N)c3)sc2c1	195609531	QFUAEIWTNIPUNI-UHFFFAOYSA-N	413.502	5.218	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNCc2ccc(OC(C)(C)C)cc2C(F)(F)F)cc1	237702092	UUSNGRARPVRLME-HNNXBMFYSA-N	406.448	5.463	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H](C)c2ccccc2OC)cc1	303213597	SHMBRBITQHARHO-QGZVFWFLSA-N	416.477	5.500	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCOC[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	435662176	IJVYCPGJLJKATG-TZMCWYRMSA-N	411.354	5.309	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1)c1ccccc1	435763225	QFXDURNLWSKDFD-FYYLOGMGSA-N	420.944	5.568	30	20	HKED	
CC(C)[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccnc1	436124206	AJIWRFMQNWOLJL-GMAHTHKFSA-N	403.913	5.769	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(OC(C)(C)C)cc2)cc1	437853282	WJLRUDZXGODJKV-UHFFFAOYSA-N	407.514	5.322	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(SCc2ccc(C#N)cc2OC(F)F)o1	439546163	VFFQJNXBKRMXQS-MRXNPFEDSA-N	401.438	5.377	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1OC(F)(F)F	442183641	VEISTRWOBRHFRP-QGZVFWFLSA-N	404.392	5.001	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)s1	443796912	BXAVFZZPJKNUBA-STQMWFEESA-N	417.600	5.577	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2csc(Br)c2)C2CC2)c(Cl)c1	443917652	PSJGGXFNAYGKLF-UHFFFAOYSA-N	410.724	5.232	30	20	HKED	
CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1C	444038857	ZVDNAQVLEOMBBU-PIPMEXSNSA-N	424.976	5.332	30	20	HKED	
Cc1ccc(CC[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	461396857	QPUJNKQUPUPREK-QGZVFWFLSA-N	404.535	5.503	30	20	HKED	
N#Cc1cccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2Cc2cccs2)c1	461486074	GXSRHCTVQUNVBD-XXBNENTESA-N	423.545	5.365	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1ccc(C#N)cc1	461543709	JZFZRXFECAILMT-UHFFFAOYSA-N	409.493	5.218	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	462175705	MMBCFCBKZXAXOV-UONOGXRCSA-N	409.942	5.625	30	20	HKED	
CN(C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463652777	KUCNGHBGUUVLBZ-LQJRIPTKSA-N	418.328	5.331	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Sc1ccccc1	464272812	MDFPTURWDPNJBP-QGZVFWFLSA-N	404.560	5.620	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1NC(=O)c1ccccc1	464409714	VARCEMGZVLWBMK-GOSISDBHSA-N	423.394	5.151	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(F)c3)cc(-c3cccs3)nc21	464644757	SOSXFAKWABPZNE-UHFFFAOYSA-N	405.458	5.004	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1COc1ccccc1Cl	466038882	NZFBRPABAUJZTN-UHFFFAOYSA-N	419.912	5.132	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3cc(Br)ccc3CO)c2)c1	466385918	LOTWTTJOJFMFCX-UHFFFAOYSA-N	423.310	5.004	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	467721746	HBEUIDSDLWMZCT-NSHDSACASA-N	422.354	5.325	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2cnc(-c3ccncc3)s2)C(C)(C)C)cc1	467870313	ALLSFGFATUXCTG-UHFFFAOYSA-N	407.539	5.211	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cccc(C(F)F)c1	468321000	BJISZULIHJYTNQ-UHFFFAOYSA-N	406.432	5.565	30	20	HKED	
CC(C)C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470774126	RSRMYRJTCGQDJG-QFIPXVFZSA-N	403.526	5.038	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](C2CC2)O1	471204159	XCGVWFHAGAPVDQ-PDXHDDNESA-N	409.917	5.027	30	20	HKED	
C=CCn1c(S[C@H](CC)c2ccc(Br)cc2)nnc1-c1cccnc1	471258953	SJRJZOSHIKEIMU-QGZVFWFLSA-N	415.360	5.532	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1	471617588	GUFVWWIDZAIAGA-UHFFFAOYSA-N	403.269	5.314	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(F)c(Br)cc1Cl	475769779	HIAHLGGSULXILE-UHFFFAOYSA-N	413.699	5.500	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2)cc1OCCC	476167890	XJJNANZGBPDBKA-UHFFFAOYSA-N	403.526	5.765	30	20	HKED	
C=C(C)[C@H](NC(=O)NCc1ccc(-c2csc(C)n2)o1)c1ccc(F)c(F)c1	476599419	QSZFUWPOJLFPLO-IBGZPJMESA-N	403.454	5.106	30	20	HKED	
Cc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1F	477824977	MMQIDPQMTWIHNU-UHFFFAOYSA-N	407.420	5.046	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2ccc(F)c(F)c2)n1	483119834	METLPNDIVCRFIF-UHFFFAOYSA-N	424.476	5.280	30	20	HKED	
N#Cc1ccc(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1C(F)(F)F	483787265	GNFKKLSHSLDGSL-UHFFFAOYSA-N	415.337	5.564	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	486248471	DPNGJKYSQXPLSF-UHFFFAOYSA-N	414.530	5.976	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1c(F)cc(F)cc1Br	487235018	JKLAOVVGNMHLNI-UHFFFAOYSA-N	421.694	5.662	30	20	HKED	
Cc1ccc(OCCC(=O)N[C@@H](CCCC#N)c2ccccc2)c(Br)c1	487239217	IYSMQNZHBZGMIL-IBGZPJMESA-N	415.331	5.078	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1	487284283	DBAXEBNBLFRBDD-VWLOTQADSA-N	409.489	5.302	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)cc1	489462240	WZLGMEGPNBMWLZ-OAQYLSRUSA-N	418.497	5.261	30	20	HKED	
CCn1c(COc2ccc(C)cc2)nnc1SCc1ccccc1C(C)(C)C#N	489463717	NEPCRQQWBJHIBY-UHFFFAOYSA-N	406.555	5.279	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C)cc1	489641798	FPIJSJCTPOOCGQ-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOC3(CCC3)C2)cc1Cl	494197618	HEBVEFLWKGVNBZ-QUCCMNQESA-N	409.917	5.219	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](c3cccc(F)c3)c3ccccn3)c2)c1	498370908	ATTMSYPNDRXIGM-HHHXNRCGSA-N	423.491	5.551	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	499416664	UQPDESSIAQVGMJ-ZOBUZTSGSA-N	424.125	5.240	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ncoc3-c3ccccc3Cl)n2)c1	502409480	WZFAAIDHYBPMLX-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1	503266709	KHFQSDXIQMBMKN-XMMPIXPASA-N	417.553	5.130	30	20	HKED	
N#Cc1ccc(CN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)C2CC2)cc1	505401670	DOTQTRLLXUXHSA-UHFFFAOYSA-N	422.941	5.209	30	20	HKED	
N#Cc1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	505449021	JAMMYCIWOPFXTJ-OAHLLOKOSA-N	413.289	5.234	30	20	HKED	
N#C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1cccc(C(F)(F)F)c1	505913258	SIKLRRZEVJKPHG-INIZCTEOSA-N	412.333	5.137	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)o2)cc1	505972478	XICLSSNMAQUEOJ-GOSISDBHSA-N	413.260	5.451	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCO[C@H]1CCCc2ccccc21	506863286	KNJZDTYQALUODO-GCJKJVERSA-N	423.582	5.687	30	20	HKED	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	509904370	HUKBVYBSIZTOMT-BKMJKUGQSA-N	417.553	5.764	30	20	HKED	
CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	511788959	VTXMTXOCDHVVQW-UHFFFAOYSA-N	413.477	5.003	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1cc(F)ccc1Br	512687004	ZXEMULPHZURSSB-UHFFFAOYSA-N	409.258	5.057	30	20	HKED	
N#Cc1ccc(CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C2CC2)cc1	512971786	LUGXWYXAXQBBLM-UHFFFAOYSA-N	413.955	5.130	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	517168434	BQSRHPKFGZEFGR-IBGZPJMESA-N	413.521	6.222	30	20	HKED	
COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1O	517724086	GLYPANQHZICWBJ-UHFFFAOYSA-N	423.856	5.040	30	20	HKED	
N#C[C@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)c1ccc(Cl)c(Cl)c1	518321098	GQNOPJMGLFJWKA-INIZCTEOSA-N	423.097	5.232	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	518662330	CIMJOWVTYCFDSR-INIZCTEOSA-N	417.490	5.234	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CCCCC1	518827700	IOZOKAONNOMXPX-JOCHJYFZSA-N	401.510	5.076	30	20	HKED	
Cc1ccc(C2(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CCOCC2)cc1	520316078	AAUOVEDRIZLMAP-UHFFFAOYSA-N	412.489	5.346	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cn1	522586316	IMEFHHBJEBUTMF-OAHLLOKOSA-N	408.889	5.272	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1	525558955	QNWBUYMIPVYZBA-GGAORHGYSA-N	420.434	5.308	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccncc1OC)c1ccc(C(F)(F)F)cc1	525840363	JMPMPBLPNVTGBJ-KBXCAEBGSA-N	407.436	5.177	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c(F)c1	531502358	IPOJBVICTIAPAG-UHFFFAOYSA-N	401.372	5.429	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccco1	532199520	BIZFDYIQDMAOKZ-UHFFFAOYSA-N	413.890	5.110	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)cc1F	535158635	GJCXDOMRRKZLRI-LJQANCHMSA-N	409.442	5.050	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nc(-c2ccccc2)cs1	536203833	KHLMMTWBULFEKU-NRFANRHFSA-N	423.497	5.552	30	20	HKED	
Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1	538532006	MMFNKKIWDZFSFX-UHFFFAOYSA-N	408.914	5.032	30	20	HKED	
COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1	539252378	KMLIAVZVTFSFEL-SFHVURJKSA-N	402.494	5.005	30	20	HKED	
N#CC1(CCCNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)CCOCC1	539710747	YVRVJPVOCZQSBG-UHFFFAOYSA-N	415.896	5.244	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1	540089628	ORVBYKWPYSAWOV-WIOPSUGQSA-N	412.489	5.167	30	20	HKED	
C=CCC[C@H](NCc1nc(O)c2ccc(Cl)cc2n1)c1ccc(C(F)(F)F)cc1	540429007	BQMLIYMKTOOTBB-KRWDZBQOSA-N	421.850	5.805	30	20	HKED	
Cc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1	540606721	QPMUOBUDLPAGEU-CLOONOSVSA-N	418.562	5.019	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)n1	542172067	OVYINCLUKBYAEC-UHFFFAOYSA-N	410.827	5.095	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	542962637	QZYWBCMIZCQAAI-XOBRGWDASA-N	423.879	5.151	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543852219	MNMPBZUWEIUCSO-KRWDZBQOSA-N	424.504	5.456	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	547418033	WVPMFMFUDVAEQB-UGSOOPFHSA-N	403.404	5.201	30	20	HKED	
CCOC(=O)C1CCC(N(CC)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	549204893	SOZBQEAKUQAPBO-WWDZGPRUSA-N	417.575	5.057	30	20	HKED	
O=C(O)C[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1	551421098	WLSOPVZPCUJFMQ-OAHLLOKOSA-N	409.301	5.169	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCOc1c(Cl)cccc1Cl	554877509	YGUFOZSRGMRWDE-UHFFFAOYSA-N	407.684	5.221	30	20	HKED	
O=C(CC1(C(F)(F)F)CC1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1	557924772	DPDQTQPMPYLWCL-UHFFFAOYSA-N	413.333	5.105	30	20	HKED	
C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2cccs2)C1	561008392	SPHHZYFVFRDJMJ-WOJBJXKFSA-N	408.571	5.036	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc(C(F)(F)F)cc1	566393811	KOHCXAYPSOTRSK-KBXCAEBGSA-N	404.432	5.394	30	20	HKED	
N#Cc1cc(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)ccc1Cl	571715497	MXWFBCCMDROWDK-UHFFFAOYSA-N	408.807	5.130	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccc(Br)s2)s1	575214328	AAJUVUUVASOTFS-HNNXBMFYSA-N	415.403	5.004	30	20	HKED	
C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	582823896	GOPSAVBQIZCGOR-HNNXBMFYSA-N	419.431	5.780	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)CCCCCC#N)cc2Cl)n1	588164691	CJZJHVTXKQXMQW-UHFFFAOYSA-N	406.939	5.694	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1	590107095	LMCBLWQGLIDIJL-JOCHJYFZSA-N	411.465	5.302	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	590668784	APRCOSXHVHUJPP-RWMBFGLXSA-N	421.303	5.312	30	20	HKED	
N#CCn1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc2ccccc21	591862007	IGBBQYHLAYEMNM-CQSZACIVSA-N	424.407	5.283	30	20	HKED	
N#Cc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)c(C(F)(F)F)c1	602756166	JPYVMUYJUZLFKU-SFHVURJKSA-N	405.807	5.207	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)cn2)c1	604100721	MSGZREOFCBSGAP-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608110390	WIMKUEQJZLSCBE-MRVWCRGKSA-N	413.377	5.420	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC2CCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	608552845	GIJJTBRVBPJVNZ-INIZCTEOSA-N	416.424	5.736	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1	609299506	ZYGQQBGGYKKQHX-XMMPIXPASA-N	416.452	5.093	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	609377548	YGZLNUICVLQQLD-DAXOMENPSA-N	405.350	5.987	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](C[C@H]4CCOC4)C3)c2)cc1	611357683	CNWSHNNRHTVUCH-WOJBJXKFSA-N	405.498	5.021	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](Cc2ccncc2)C1	611815915	ATUDOPBWTBPVLO-OAQYLSRUSA-N	412.493	5.151	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C1	612236784	OECCSFIRAYEWEG-HSZRJFAPSA-N	408.498	5.630	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4cccs4)nc3C)n2)cc1	613315272	KBXDSUPXHHGIIW-OAHLLOKOSA-N	421.572	6.102	30	20	HKED	
C[C@@H](NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc(C#N)c1	613372715	DLFHZIXJNCQWLC-KUHUBIRLSA-N	420.513	5.259	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](C)Cc1ccsc1	614681045	NAKPUGOXRDRSHK-INIZCTEOSA-N	406.511	5.292	30	20	HKED	
C=C(C)COc1cc(CNCc2ccccc2CN2CCC[C@H](C)C2)ccc1OC	622266608	NOWWPKSLXULFDZ-NRFANRHFSA-N	408.586	5.172	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1F	645077339	JJAQEUQZVQZSNE-UHFFFAOYSA-N	424.545	5.299	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(Cc2ccc(F)cc2)CC1	682079026	CZOGAHPGBNBUAA-STQMWFEESA-N	411.361	5.174	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cc(-c3ccncc3)ccc2C)cc1OC	726152435	OLVQBECMYHFYMU-YFHOEESVSA-N	400.478	5.282	30	20	HKED	
CC(C)[C@@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	727628964	PKFXCUOKZJIWEX-OXJNMPFZSA-N	413.493	5.566	30	20	HKED	
COCCOc1cccc(/C=C2\CCc3nc(-c4ccc(OC)cc4)sc3C2=O)c1	727780316	KSBKHLIOMAFQAU-NBVRZTHBSA-N	421.518	5.056	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)c2)oc1C	728268606	PVHZZSRFHGZGCF-UHFFFAOYSA-N	410.477	5.490	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	729070765	XUEAXCBAHKJTIU-RDTXWAMCSA-N	402.466	5.233	30	20	HKED	
N#CCOc1ccccc1C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1	729182754	MTQNALQXYXWLFK-UHFFFAOYSA-N	402.416	5.193	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1c[nH]c2cc(Br)ccc12	729936944	JMCJBPSRHINVAU-TWGQIWQCSA-N	404.267	5.284	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1	730686883	RPRVFRAMDIHBMN-BEFAXECRSA-N	417.317	5.755	30	20	HKED	
Cc1ccc(/C=C/C(=O)Nc2ccccc2SCCC#N)c(Br)c1	730981838	BYZKRJLFQULGSP-MDZDMXLPSA-N	401.329	5.415	30	20	HKED	
N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1ccc2ccccc2n1	731288640	YVCJFEWXVHJUQP-IBGZPJMESA-N	423.310	5.423	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2n1	732594032	YJMOJDWSRRXWHF-SDHSZQHLSA-N	418.496	5.794	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2)nc1	733236575	IRPOOQZKUUZGES-UHFFFAOYSA-N	401.466	5.242	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC)c2ccc(Cl)s2)ccc1OC	734068237	ASDFKUNDPWVZEE-GJZGRUSLSA-N	421.950	5.042	30	20	HKED	
C=CC[C@H](NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccncc1	734459488	KZHMYSYULNPRHZ-IBGZPJMESA-N	422.941	5.491	30	20	HKED	
C=CC[C@H](NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccncc1	734652174	IJLFQPQKVYLJOI-UPVQGACJSA-N	410.521	5.311	30	20	HKED	
CCCCCCNC(=O)[C@H](C#N)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	735208262	LFWSADGWALSTFN-LJQANCHMSA-N	423.900	5.023	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2cccc(COc3ccccc3C#N)c2)cs1	736827686	AIFNOBSPTIQEKO-INIZCTEOSA-N	422.506	5.048	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740059974	NMTMGSRGDQQVQX-AWEZNQCLSA-N	411.477	5.468	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ncc(-c2ccccc2)o1	740435970	YNFKIVBKKVMIQJ-MBSDFSHPSA-N	422.488	5.880	30	20	HKED	
CCCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	741090953	ZOKUKTSTMKRBGA-CEMLEFRQSA-N	423.582	5.022	30	20	HKED	
CC(C)[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	744038708	ZVGRARFOVYJYKN-QAPCUYQASA-N	402.441	5.931	30	20	HKED	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	747790964	HBRJNPSMFHUVFY-SQJMNOBHSA-N	421.541	5.222	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cc(C#N)cs4)nc(O)c23)s1	748440139	IHVZYOIPCWUKDW-ACAGNQJTSA-N	415.952	6.104	30	20	HKED	
CCn1cc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21	748490033	SSGIWSTUNGKGJR-INIZCTEOSA-N	421.472	5.482	30	20	HKED	
N#Cc1csc(/C=C2\CC3(CCOCC3)C/C(=C\c3cc(C#N)cs3)C2=O)c1	751517571	MFHFXHOSTUDARR-ZEELXFFVSA-N	406.532	5.180	30	20	HKED	
COc1cccc([C@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	753396095	SCRVZTIXVKBULV-KUHUBIRLSA-N	410.926	5.842	30	20	HKED	
O=C(/C=C/c1ccc(OC(F)F)c(F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	754686888	WQKPEGWWJKPJGF-VZUCSPMQSA-N	424.440	5.040	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1F	756950175	QKBBBLSSJBHMFC-UHFFFAOYSA-N	402.425	5.643	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccncc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759218410	YVOPKQOKBGPZOD-HNNXBMFYSA-N	402.306	5.321	30	20	HKED	
CC(C)Oc1ccccc1C=NO[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760415692	AXDLJVJRGDJUJE-CYBMUJFWSA-N	420.296	5.942	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1	762998467	DMGJDSNQDVZEBC-JOCHJYFZSA-N	402.519	5.221	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F	764904718	XKKGSRIIWAUUSI-ZCFIWIBFSA-N	413.289	5.104	30	20	HKED	
C=CC[C@@H](N[C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)c1ccncc1	766022821	XLLFJCGXXGCJOR-OXQOHEQNSA-N	423.582	5.423	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c2ccccc21	768047718	UUQAQOCIXRECJY-WMZHIEFXSA-N	419.525	5.047	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1ccncc1	771324700	QTDUADVCFWFDHY-MOPGFXCFSA-N	421.488	5.217	30	20	HKED	
Cc1cncc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	772555365	WVAQUPAOGBKIAW-AUYOJAJCSA-N	414.317	5.710	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(C(C)C)cccc32)ccc1OC	772984411	FLCIVGDVZAJPBE-DENIHFKCSA-N	408.542	5.503	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	773799963	YQGHRNMUVKGZBT-QAPCUYQASA-N	403.482	5.531	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1	779713742	XPQGKUBVNCEBOW-ROUUACIJSA-N	417.534	5.568	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1Cl	801623870	YERXUVPVXABFCM-UHFFFAOYSA-N	422.941	5.158	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)ccc12	808657486	BKZNNYJFAWQQTB-UHFFFAOYSA-N	422.484	5.306	30	20	HKED	
N#CCOc1ccccc1C(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809327141	UKXXNPQXECWZLO-HNNXBMFYSA-N	403.278	5.068	30	20	HKED	
COc1cc(C(=O)/C=C/C(C)=C\c2ccccc2OC(F)F)cc(OC)c1OC	811684852	DHZMVLPQCCKOCJ-POLRJCGMSA-N	404.409	5.156	30	20	HKED	
COc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1Cc1ccccc1	857763425	KLHQTACOEGKVTG-HXUWFJFHSA-N	413.521	5.033	30	20	HKED	
Cc1ncsc1C(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	915054299	WPCAKDKLEDSGPO-ZZXKWVIFSA-N	419.256	5.278	30	20	HKED	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12	915085020	CYUXQTBGLTWQEK-JOCHJYFZSA-N	421.504	5.062	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCC(C)C	915086192	ICVGCQDQBIQKGY-QHCPKHFHSA-N	414.505	5.638	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(COCC(F)(F)C(F)F)c2)c1O	915980858	GFQZTCZLOKLIOR-UHFFFAOYSA-N	420.746	5.121	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C\c3cn(CCC#N)nc3-c3ccccc3)oc12	916130072	GXGQSSXUVDOYAC-SEYXRHQNSA-N	411.461	5.505	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nc2ccccc2s1	916846324	PYBLKWXXCZCRSA-CQSZACIVSA-N	417.353	5.168	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)s3)n2)cc1	920138764	IWHVHHZQUUDQJS-OAHLLOKOSA-N	402.928	5.343	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccccc2)cs1	920357446	WGVJNJGVGAZUSS-UHFFFAOYSA-N	404.417	5.293	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CCC3)CCC2)cc1	1791247417	VGQUAYQQTCKAMV-HNNXBMFYSA-N	408.464	5.065	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncccc4c3)CCC2)cc1	1791247802	HXYJDNDUZIEJHT-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4ccccc4C)cc3)CCC2)C1	1791343630	KIRKGDIINBMFJX-UHFFFAOYSA-N	402.538	5.028	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1	1791589259	QFBBXVGHKLFCGA-UHFFFAOYSA-N	419.912	5.212	30	20	HKED	
C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)C2	1801638140	GKVDWVDSUGQPOW-JONQDZQNSA-N	416.974	5.019	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)C2)CC1	1809164159	WKROKCBWJOTFHF-AOHZBQACSA-N	424.629	5.260	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)CC(=C)C)n[nH]1	1819552256	HGWSSWMBMJMHSM-FQEVSTJZSA-N	412.578	5.163	30	20	HKED	
N#CCC[C@H](C#N)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1	7034549	IGOCCOYIJFSZKI-MRXNPFEDSA-N	414.456	5.639	30	20	HKED	
Cc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(N(C)C)cc2)c1	10167597	MEOMKISCOCIALV-UHFFFAOYSA-O	424.615	5.078	30	20	HKED	
N#CCC[C@H](C#N)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1	15237049	FVLKMSLWVVCZQF-QGZVFWFLSA-N	407.930	5.182	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1OC	16702100	NTBLWYDOAOWPMM-UHFFFAOYSA-N	403.434	5.420	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccccc1Cc1ccccc1	56199481	HBLSIEBSHPFLMZ-HXUWFJFHSA-N	413.521	5.399	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2c(C)nn(C)c2s1	56469950	HWXMMWTUXTZVOH-UHFFFAOYSA-N	402.479	5.168	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1O	56800449	MPTLLAHBKVWUQF-UHFFFAOYSA-N	417.465	5.037	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	65680322	PYGNGYMDLKOOQO-KSFYIVLOSA-N	411.461	5.197	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(CC(C)C)cc1	71975956	GLQJVZITLWAMMQ-UHFFFAOYSA-N	421.522	5.053	30	20	HKED	
C=CCN(C(=O)c1ccc(C)nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	108261280	CULCJRWRBXBRDQ-UHFFFAOYSA-N	418.349	5.962	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1OC	237281471	SLSCRPUZZKAVHI-RUZDIDTESA-N	416.521	5.120	30	20	HKED	
COc1cccc([C@H](CNc2c(C#N)cccc2C#N)c2c[nH]c3ccccc23)c1OC	302840232	LIYCMUSHLQFVIC-QFIPXVFZSA-N	422.488	5.172	30	20	HKED	
C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc(Cl)cc1Cl	302929824	DUGDOCKLJRXAPN-NSHDSACASA-N	406.338	5.258	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C)cs1	303837933	BBQYTQBVKMXCJP-QFIPXVFZSA-N	406.511	5.562	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)CCCCOc3cccc(C#N)c3)ccc2C)c1	303978755	WRKKCOGQFOKQCI-UHFFFAOYSA-N	415.493	5.550	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1	409730463	NOFSARHGEPZWAG-UHFFFAOYSA-N	404.445	5.136	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(OCC2CC2)c(F)c1	431296249	TYNUNTFWSUGDMD-HTAPYJJXSA-N	409.505	5.410	30	20	HKED	
CCC(CC)n1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1	432161166	DVOGRVUBVYBLTN-ZDUSSCGKSA-N	400.454	5.136	30	20	HKED	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(C)c1	432790319	BYWUOWDAMOZDQB-CQSZACIVSA-N	405.523	5.170	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1cn(CCC#N)nc1-c1ccncc1	435131749	FLXZMQRWAIMXCL-DEOSSOPVSA-N	401.558	5.010	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1F	438661703	UDQIDFGYOQTQQQ-HXUWFJFHSA-N	416.456	5.208	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1	440391697	OOAZAHQTOKQOMS-NAKRPHOHSA-N	422.528	5.564	30	20	HKED	
CC1(C)CCC(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	441945703	LUIVIKQQHDZCLC-FQEVSTJZSA-N	423.944	5.019	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	442877151	WJQGSRTZZMMRBV-KRWDZBQOSA-N	418.547	5.594	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Sc1ccccc1	464293978	HYDJIYTUHRTKPL-GOSISDBHSA-N	418.587	5.761	30	20	HKED	
C=CCn1c(SCc2nc3cc(F)ccc3o2)nnc1-c1ccc(Cl)cc1	464908282	JSUVBJAELLUSQY-UHFFFAOYSA-N	400.866	5.357	30	20	HKED	
CCc1cnc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	466328850	NFAYGWVOMVFMSB-IBGZPJMESA-N	424.957	5.379	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	468157062	BCYOUROFRJNQDM-LJQANCHMSA-N	420.513	5.040	30	20	HKED	
Cc1ccc2sc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c(C)c2c1	469823619	XJZOEXCMXCKKPN-UHFFFAOYSA-N	417.534	5.353	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	469938275	IROKJCSPRGCXJZ-UHFFFAOYSA-N	424.913	5.210	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470545360	DSBKMOVHEIRJBC-QFIPXVFZSA-N	418.541	5.275	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1	475551283	XUYGYJXQGGOBJN-ZCYQVOJMSA-N	414.553	5.785	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	478664844	BWSPUIMNISEJJI-UGSOOPFHSA-N	403.910	5.091	30	20	HKED	
CC(C)CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCCc2cccnc21	482297067	PJHXVKAIVUXDSV-DEOSSOPVSA-N	413.569	5.394	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nc2ccccc2c1=O	484507394	SRISPRNWEVWGCU-ZDUSSCGKSA-N	424.526	5.093	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c1	488434785	NDTHCGFUPNCWJF-UXHICEINSA-N	417.534	5.667	30	20	HKED	
C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1	489480423	KVWYYWMNSFAAQZ-WDUNQMNWSA-N	421.544	5.733	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1	495080824	SCFBISNYQZOTRK-HRAATJIYSA-N	404.476	5.765	30	20	HKED	
C[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)s1	495243200	WDHBCZLNGSQFNG-SNVBAGLBSA-N	420.972	5.159	30	20	HKED	
C=CCn1c(SCc2noc(C(C)C)n2)nc2scc(-c3ccccc3)c2c1=O	502856278	MQVOAFRZXCEYBQ-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1	507612235	ZGPUWZFMLPWEQZ-INIZCTEOSA-N	419.453	5.199	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)[C@@H](C)c1ccc(C#N)cc1	509572120	AZBZUQWXWUEBKD-SFHVURJKSA-N	423.520	5.213	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1	511445814	REIXCMFDBYIQQX-FQEVSTJZSA-N	408.864	5.108	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	511808152	NPDSJTVIAZRMDE-UHFFFAOYSA-N	409.555	5.013	30	20	HKED	
N#CCCn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1-c1ccccc1	513033234	XLWFCFDTYUYORW-NUNAXRQHSA-N	410.521	5.015	30	20	HKED	
C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cc(Cl)ccc1F	515757510	MGHKKQJQUXYVTL-HNNXBMFYSA-N	423.875	5.369	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccco3)C3CCCC3)cc2)cc1	517655540	ICYOQGZUROWGIE-UHFFFAOYSA-N	400.478	5.723	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](c2ccccc2)c2cccnc2)c1	518277843	YMGPBTWCQDPHAP-HHHXNRCGSA-N	405.501	5.411	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc([N+](=O)[O-])c1	520196787	BYNYTYNBKLYNOM-HNNXBMFYSA-N	402.410	5.141	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1cccc(C(F)(F)F)c1	520271793	KAUVRHWPRSWZID-IBGZPJMESA-N	416.374	5.418	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	521243883	BVRNQIXNAANNDR-DQEYMECFSA-N	412.489	5.082	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2	521811329	CTVZUKXYZWVWTA-MAUKXSAKSA-N	409.511	5.179	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[nH]c12	522830679	OJWHMMCAUJTRAN-SFHVURJKSA-N	410.408	5.164	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccnc3ccccc23)cc1	522950708	UDFWKRAEAJYPKW-UHFFFAOYSA-N	421.500	5.451	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CC1	524658434	YSYIQWIEYLCKKF-UHFFFAOYSA-N	407.367	5.404	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1sc(C)nc1C	525110914	VTCITUHNFUGRSS-UHFFFAOYSA-N	406.964	5.062	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3csc(C(F)(F)F)n3)cc2F)c1	527249757	SCGBPFBKLZQQPH-UHFFFAOYSA-N	421.375	5.004	30	20	HKED	
CCn1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccc(C(C)(C)C)cc1	537467895	RUTDKUPCCSYLQE-UHFFFAOYSA-N	412.603	5.455	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)cc2)CC1	538544509	OMAVWODILCOWHV-MRXNPFEDSA-N	412.333	5.294	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)Cc2cccc(OCc3ccccc3C#N)c2)cs1	539823666	IOVHAKQHAZLKEK-SFHVURJKSA-N	421.566	5.323	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	543648328	SQDFELDXLXLDBG-FYYLOGMGSA-N	405.542	5.695	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543875296	SBTCIWWWNGLVEA-OALUTQOASA-N	413.521	5.220	30	20	HKED	
COc1cc(F)c([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	543961442	JSQDCRJTRJSRTH-IRXDYDNUSA-N	404.485	5.793	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(OCC(F)(F)F)c1	544220788	GTGDRQKUTZTITM-UHFFFAOYSA-N	403.404	5.004	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(COCc3ccco3)c2)C2CC2)cc1	544236851	FHWCIIXCUYMLLL-UHFFFAOYSA-N	401.466	5.065	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)c4ccccc4c3)s2)cc1	549928445	PKQHCBWDRNACGF-UHFFFAOYSA-N	420.494	5.247	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	553121082	LBJIUPRCWYRXBK-OALUTQOASA-N	405.464	5.191	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1	554540119	XPECHCKPSZBCHV-UHFFFAOYSA-N	407.945	5.021	30	20	HKED	
C[C@@H](c1ccccc1)N(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1	558313898	YXZCGDSLHOWVJQ-SFHVURJKSA-N	424.504	5.568	30	20	HKED	
CCSCc1ccccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	560045522	UXWNSBMSCYCOLU-UHFFFAOYSA-N	416.546	5.837	30	20	HKED	
N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cnc1C(F)(F)F	567294411	NBOSVMMXVZYKRI-OAHLLOKOSA-N	414.214	5.256	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccoc2)cc1Cl	576784553	LQHLYQVHVDSYMO-GOSISDBHSA-N	402.841	5.231	30	20	HKED	
N#CC1(Cc2nc(Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)no2)CC1	590267434	HCYRBVXHZNRTCC-UHFFFAOYSA-N	415.884	5.013	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)cs2)cc1	603528767	RMRVUXGSPDUGNG-KRWDZBQOSA-N	403.551	5.396	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)OCc1ccccc1	603618963	CWOHCEDYDDTBJR-LJQANCHMSA-N	402.469	5.144	30	20	HKED	
N#Cc1ccnc(SCc2nc(O)c3c(-c4ccccc4Cl)csc3n2)c1	603727001	WJHVPQXIVRHAHT-UHFFFAOYSA-N	410.911	5.276	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1Cl	603759113	UPSMVVOBDIGUTQ-IBGZPJMESA-N	415.880	5.708	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)o1	604522045	LNBINHYDHKIJBD-UHFFFAOYSA-N	418.840	5.026	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCc3sccc3C2)cc1Cl	609339070	XUCLPMFSDSFLBK-FQEVSTJZSA-N	421.953	6.037	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	609376938	MADRQYAATDLKLL-QGZVFWFLSA-N	415.518	5.443	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CN2CCCCCC2)CC1	609434927	CSHUVYSHLFBAOV-IBGZPJMESA-N	414.619	5.201	30	20	HKED	
COc1cccc(CN(CC(C)C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	609438945	PFZVYAFCSRLAQP-SFHVURJKSA-N	411.571	5.780	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccccc1Cl	609439102	YYHLBKMXMWKPOS-AEFFLSMTSA-N	413.974	5.973	30	20	HKED	
Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609506097	MZPQFRLDDUOAOK-UHFFFAOYSA-N	408.461	5.291	30	20	HKED	
COc1ccc(N(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1OC	609725266	SLAZCUBDWXXRAW-UHFFFAOYSA-N	422.868	5.298	30	20	HKED	
Cc1ccc([C@@H](C)CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	610016501	CUXHBLFEHHSBJO-SFHVURJKSA-N	412.493	5.044	30	20	HKED	
COc1ccccc1N(Cc1ccccc1O)C(=S)Nc1ccc(C#N)c(Cl)c1	726444197	MDKSMSIDGAADOF-UHFFFAOYSA-N	423.925	5.329	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(COc3cccc(F)c3)c2)cc1Cl	726459731	PSZCDJOXTVMUMO-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(CSc2ccccc2)cc1	726755410	LNIJPRYDPAUCNQ-UHFFFAOYSA-N	423.541	5.728	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	727065258	OQSAYZCXMGQWCL-LLVKDONJSA-N	413.779	5.002	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ccc(N(C)C)cc1	727997014	PRNBTFGUTWZITM-UHFFFAOYSA-N	413.521	5.083	30	20	HKED	
Cc1cccc(-c2nn(CN(C)[C@H](C)CC#N)c(=S)n2-c2ccc(Cl)cc2)c1	728904108	LUCNWSUCBFOHTL-MRXNPFEDSA-N	411.962	5.224	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)sc1-c1ccccc1	731969019	FHDMNABGWIMKTP-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C=CCOc1ccccc1CN(C(=O)CCCc1nc(C)no1)c1ccc(C)c(C)c1	732115893	PQBBDPYNOHRNSH-UHFFFAOYSA-N	419.525	5.116	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CSc3ccccc3)n2)cc1	732497287	MJFYZICQWHAGFO-DNVCBOLYSA-N	408.548	5.423	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1	732593822	UDEKQCPRHGORCQ-UBFVSLLYSA-N	424.500	5.025	30	20	HKED	
CC[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732901205	NAPSLFJDJCNALU-HOCLYGCPSA-N	402.441	5.760	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1OCC#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	733710273	QKGQGIDJDDEEKX-LLVKDONJSA-N	417.305	5.545	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1)c1ccncc1	734660810	BFQXVIYVVUWVLR-DNQXCXABSA-N	401.510	5.186	30	20	HKED	
CN(C)c1ccc(N(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	735010667	YHNRAYVDEUJHBK-UHFFFAOYSA-N	405.885	5.347	30	20	HKED	
N#CCOc1ccc(Cl)cc1CS[C@@H]1CCCN(c2ccccc2Cl)C1=O	742970961	LZZAXUQHLBSUIU-LJQANCHMSA-N	421.349	5.325	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCC(c2ccccc2)CC1	744030515	GWEXGWGOULRWFO-HTWSVDAQSA-N	415.320	5.615	30	20	HKED	
O=C(/C=C\c1c(OC(F)F)ccc2ccccc12)c1cccc(N2CCOC2=O)c1	745626893	ULFNSASVIZANSL-KTKRTIGZSA-N	409.388	5.294	30	20	HKED	
O=C(/C=C/c1nc(Cl)cs1)c1ccc(Br)cc1Br	759073905	PXIUUEXMKOEJTQ-ONEGZZNKSA-N	407.514	5.218	30	20	HKED	
N#CCSc1ccccc1C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F	766143611	SKDPEPZCFGGAAK-UHFFFAOYSA-N	410.901	5.692	30	20	HKED	
CCN(Cc1ccccc1NCc1ccc(O[C@H](C)C#N)cc1)C(=O)OC(C)(C)C	770528982	KPMPXRHYDOXHKR-GOSISDBHSA-N	409.530	5.347	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)NCc2cccc(O[C@H](C#N)CC)c2)c1	772176227	XPTBICLEIUFIHM-QFIPXVFZSA-N	414.505	5.363	30	20	HKED	
C=CCc1cc(CN[C@@H](C)c2sc(-c3cccnc3)nc2C)cc(OC)c1OC	772948678	XPXFBZHSZRMXJB-HNNXBMFYSA-N	409.555	5.110	30	20	HKED	
C=CC[C@H](C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	778429454	OANJZFWIOPTGRE-HNNXBMFYSA-N	403.265	5.447	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	780169082	LDYLPMVEYHFCFH-OYHNWAKOSA-N	424.859	5.529	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	780305969	PHKYHKHREANESO-KRWDZBQOSA-N	424.287	5.325	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1Cl	780363997	XIMFLRSNEFXQIN-INIZCTEOSA-N	416.695	5.950	30	20	HKED	
COc1ccc(-c2cc(C(=O)O[C@@H](C)C(C)(C)C#N)c3ccccc3n2)cc1OC	780457182	MQYNZUILCMDCIS-HNNXBMFYSA-N	404.466	5.014	30	20	HKED	
N#CCC1CCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1	782059136	ZXOUCOGZSKNPJZ-UHFFFAOYSA-N	407.564	5.354	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCSCc1ccnc(Cl)c1	789449665	IUDBYEWZKBRWPJ-UHFFFAOYSA-N	403.979	5.642	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN2CCC(C(C)(C)C)CC2)cs1	790178816	LPKNUHKZIGEFLQ-UHFFFAOYSA-N	418.994	5.573	30	20	HKED	
COc1cccc(Cl)c1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	790769422	SHQBAPKUZKBECX-GFCCVEGCSA-N	418.852	5.169	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)OCCCC1(C#N)CCOCC1)c1ccccc1	800163691	QRWIABZGAAYZGA-HSZRJFAPSA-N	407.510	5.013	30	20	HKED	
N#CCSCCCOC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1	805443747	BHCMVRLAOLZHOZ-UHFFFAOYSA-N	408.306	5.028	30	20	HKED	
C[C@@H]1[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1	807620115	DOCMJEXGTKJSLL-RFLWCCGPSA-N	424.548	5.127	30	20	HKED	
Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc(SC(C)(C)C)cc4)no3)CC2)o1	809440385	NPPVNFCPEXEALE-UHFFFAOYSA-N	423.542	5.179	30	20	HKED	
CN(C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)c1ccc(C#N)cc1	813027378	LRVHVSPRUXGCMX-UHFFFAOYSA-N	420.497	5.660	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](CCCC#N)c1ccccc1	817320123	YDVXTSNKCHDXBY-OAQYLSRUSA-N	407.514	5.507	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2coc(-c3cccs3)n2)cc1OCC	826123203	JXLWFPAQYRNQTI-UHFFFAOYSA-N	420.918	5.795	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916681173	PSGBQQWYUUYVSO-SBUREZEXSA-N	403.913	6.220	30	20	HKED	
C[C@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2C1	916883763	ONNJNVYJQBPKTA-NHYWBVRUSA-N	420.506	5.149	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1	916915150	DZUZULHYGHUAGA-SFHVURJKSA-N	420.900	5.034	30	20	HKED	
C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920143726	ZOIUCXGYQXAJNV-SCLBCKFNSA-N	423.950	5.692	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl	920803912	GQBHRFLEKPZLJH-AWEZNQCLSA-N	416.880	5.859	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)nc3C)CCC2)cc1	1789626290	IZVXBKDELSOZHG-UHFFFAOYSA-N	423.532	5.269	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2ccccc2)n[nH]1	1823493440	QARYJEMCEYHAPZ-NQIIRXRSSA-N	422.573	5.198	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1	1823911670	BURBHZGILGVTPS-VGOFRKELSA-N	416.993	5.094	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2c(C)cccc2C)cc1	11153453	ODKYIUPLYXZSNG-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
C[C@H](OC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)Nc1ccccc1C#N	11397217	WZOCUKJJWDDJMH-JTQLQIEISA-N	419.289	5.264	30	20	HKED	
CCN(C(=O)CCc1ccc(Br)cc1F)[C@H](C)c1ccc(C#N)cc1	62867607	UJASBYSQWJEPEK-CQSZACIVSA-N	403.295	5.002	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2ccc(F)cc12	64714711	VPVATEISQHKQLB-ZDUSSCGKSA-N	412.392	5.772	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@@H](c1ccccc1)c1ccccn1	301189407	XPLPYDYEOAZRKR-QFIPXVFZSA-N	402.404	5.304	30	20	HKED	
Cc1ccc(-n2c(S[C@@H](C)c3ccc(C#N)cc3)nnc2-c2ccncc2)cc1C	303733777	WBBTXFKDPJXMJU-SFHVURJKSA-N	411.534	5.671	30	20	HKED	
CC[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1F	303748470	KTZNDIPWAXPOJG-JOCHJYFZSA-N	422.500	6.010	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1C(F)(F)F	322009869	ILMQBZRQOQTDAZ-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1F	431334380	YGWJJJXYMJOOCX-KUHUBIRLSA-N	418.310	5.384	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3c(Cl)cc(F)cc3Cl)s2)cc1	431495305	ORGJITWJGBHZHH-UHFFFAOYSA-N	406.269	5.304	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C	432973063	NREXCOITHPTEIT-UHFFFAOYSA-N	403.482	5.116	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2c(Cl)ccc(C)c2C)nnc1-c1ccco1	434010362	CPTPFGUDDGLQMW-UHFFFAOYSA-N	416.934	5.115	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)cc1C#N	435556540	MZFXSCJNZRQVEG-UHFFFAOYSA-N	414.509	5.017	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1	437498270	PQXGNKUKGGBBMW-XXBNENTESA-N	402.494	5.028	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	437741656	DFPWWRKEVFTRBI-MOPGFXCFSA-N	412.331	5.370	30	20	HKED	
COc1cccc(F)c1[C@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	438032798	XEVYKGBEMMFNAO-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
CCOc1ccc(CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C(C)C)cc1	438639372	AZGIWAGNIQOPFB-UHFFFAOYSA-N	405.420	5.418	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(Cc2ccccc2Cl)CC1	439131334	DWWLPUYYVJWPDD-UHFFFAOYSA-N	417.896	5.669	30	20	HKED	
N#CCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1	439673782	NUDAXEHTOSDIGQ-HNNXBMFYSA-N	401.944	5.229	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)cc1	440053653	QRPSBLBTYRUGBD-UHFFFAOYSA-N	409.493	5.136	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc(-c2nnc(C)o2)cc1)c1ccc(C(F)(F)F)cc1	441555746	YXHSXFMAXXOXIR-LJQANCHMSA-N	415.415	5.501	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444742593	JLHMSYFNBKLGNB-SFHVURJKSA-N	414.393	6.290	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)COCCc2ccccc2)c1	460337482	XTRWOOYNMACANV-UHFFFAOYSA-N	404.897	5.004	30	20	HKED	
COc1ccc2c(c1)N(C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)CCO2	464378082	PGBPHTOCMZFCJP-UHFFFAOYSA-N	420.852	5.052	30	20	HKED	
COc1cc(CNC(C)(C)c2nc(C)c(C)s2)ccc1OCc1cccc(C#N)c1	464801373	FVNYEAZBHQCJAU-UHFFFAOYSA-N	421.566	5.244	30	20	HKED	
CC(C)CCOc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	465333867	GNNLKGYDZGJPCC-UHFFFAOYSA-N	401.466	5.423	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc3cc[nH]c23)cc1	466425026	ZEJAMHOLTYIUCC-UHFFFAOYSA-N	410.477	5.135	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(F)c(Cl)cc1Cl	469000248	NGZFQHYIKVRTGN-CYBMUJFWSA-N	420.315	5.889	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc4ccccc34)ccc21	469957729	XLFHPGQNUHICFQ-DNQXCXABSA-N	423.516	5.165	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)ccc1-c1ccoc1	470800912	FUYMXZMCPGMAQY-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
Cc1nc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc2o1	470832245	PWVCMAQUQGEMID-LJQANCHMSA-N	401.853	5.697	30	20	HKED	
N#CC[C@@H](CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1	474424332	CAJLWBXXINPFHI-KRWDZBQOSA-N	401.491	5.260	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)n1	474436045	UMFFDVJCMGEWHJ-CYBMUJFWSA-N	413.934	5.114	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1	475005960	BSBHXVLPVFBKAW-FPOVZHCZSA-N	422.598	5.067	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccccc2Cl)CC1	475573362	SCMQVJDBCZWGTQ-UHFFFAOYSA-N	412.961	6.267	30	20	HKED	
CCc1cnc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	475650227	LYLOQTZYVAJBQP-UHFFFAOYSA-N	420.538	5.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccc(CC)cc2)n1	476080228	NQLQMHVRYRXFSF-UHFFFAOYSA-N	404.579	6.406	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)n1	479191457	SFKGSRYCDNUEPZ-UHFFFAOYSA-N	418.522	5.102	30	20	HKED	
COc1ccc(-n2c(S[C@H](C)c3ccc(C#N)cc3)nnc2-c2ccccn2)cc1	481345135	MQLVFCMLETUQLS-MRXNPFEDSA-N	413.506	5.063	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1	482217466	XLCJNNRGAZQOMT-FQEVSTJZSA-N	403.448	5.420	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCN(C2CCCCC2)C1	483180465	KIVHLERPOCLXTP-JOCHJYFZSA-N	417.553	5.039	30	20	HKED	
Cn1c([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21	483638418	WEQMEKLGKMYRKA-XMMPIXPASA-N	422.488	5.215	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cc(OC)c(OC)cc1Br	485432828	IHCAOKMYXLBRRZ-UHFFFAOYSA-N	411.340	5.067	30	20	HKED	
CN(C)Cc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	485869312	LOEOUBBVCDCGIN-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)c1	486836648	XBDHSMABZZLBOY-UHFFFAOYSA-N	414.358	5.547	30	20	HKED	
Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)sc1C	487327218	UOFODHQZZJXQKT-UHFFFAOYSA-N	421.469	5.555	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1cccs1	489446931	JCEDPCOZTWUELP-LLVKDONJSA-N	401.542	5.157	30	20	HKED	
CCCc1nc(C)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1	494813590	XJTYFXHDPLHNEP-UHFFFAOYSA-N	404.470	5.230	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccc(Br)cc1	499414806	BTTGCPMEBVIDKP-AWEZNQCLSA-N	423.097	5.232	30	20	HKED	
C=CCOc1cccc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1	504163906	TWXDNPAZJDCFNJ-UHFFFAOYSA-N	409.533	5.453	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N[C@@H](c1c(F)cccc1F)C(F)(F)F	505418975	CAJNURRXDCTCHE-BZNIZROVSA-N	411.292	5.421	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cc(Br)cs1)c1ccc(Cl)c(Cl)c1	505922785	LPTFWKWMQOSENY-CQSZACIVSA-N	418.143	5.131	30	20	HKED	
CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H](C)c1cc2ccccc2o1	506767316	MMSCBFQKACRPKU-QGZVFWFLSA-N	419.500	5.270	30	20	HKED	
O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	507637133	AVJMKJAJSXDWBK-VIFPVBQESA-N	422.272	5.214	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C	512858208	VJOPNTYVNTXNOW-UHFFFAOYSA-N	408.889	5.172	30	20	HKED	
Cc1cccc([C@H]2CCCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1C	513628525	LGZRYKMUQBNPLX-XMMPIXPASA-N	419.544	5.284	30	20	HKED	
N#Cc1cc(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)ccc1F	517904015	CTYPFJDZUOFPGA-GOSISDBHSA-N	410.449	5.159	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc21	518020054	JBFAKTDSHRKYIN-UHFFFAOYSA-N	414.440	5.673	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	518169896	UTZNPXNJLCLMGD-UWJYYQICSA-N	409.555	5.706	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccs1)C[C@H]1CCCO1	518256569	GJNFENQSFZKLFS-DLBZAZTESA-N	415.584	5.355	30	20	HKED	
N#CCCSc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1	518649575	BEZHGVFVGUZJKP-UHFFFAOYSA-N	402.475	5.609	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(C(F)(F)F)cc1	518666557	FAEBIWOVCVIMCG-KGLIPLIRSA-N	407.461	5.396	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C(C)(C)C)cs1	520733757	OZZNVTZDBMGVJS-AWEZNQCLSA-N	423.513	5.735	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)c1ccccc1	521257101	CQZFFUKQZAKTJP-FQEVSTJZSA-N	417.512	6.651	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c2)cc1	523135433	KAACLJJDDZZCNQ-UHFFFAOYSA-N	419.488	5.108	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(O)ccc2C(F)(F)F)cc1F	530300092	GVAFDFVOOOLTDN-UHFFFAOYSA-N	416.330	5.466	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(C)(C)C)sc3C#N)s2)cc1	536971788	FGGCHPXQORFMKE-UHFFFAOYSA-N	411.552	5.610	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	539354861	PCCVUTRNAJIPRO-MRXNPFEDSA-N	424.309	5.397	30	20	HKED	
CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	539576505	DOZNVCYHUZSMBD-UXHICEINSA-N	401.432	5.055	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	540245206	NPVCYGOYDMCHBK-SJLPKXTDSA-N	418.447	5.527	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)cc1	540456498	VOPLAXAFVAHUPQ-INIZCTEOSA-N	419.550	5.202	30	20	HKED	
Cc1ccc(SCc2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)cc1	549130985	SDZICGHJZQGURH-UHFFFAOYSA-N	417.582	5.057	30	20	HKED	
N#C[C@@H](C(=O)c1scnc1C1CCCC1)c1nc(-c2ccc(Cl)cc2)cs1	558526214	JCZZNNVRVDMXGK-HNNXBMFYSA-N	413.955	6.068	30	20	HKED	
CC(C)(C)N1CC[C@@H](NCCCC2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	558894372	IOTXRTKFGAXWCN-NHCUHLMSSA-N	421.988	5.083	30	20	HKED	
Cc1nnc(-c2ccccc2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1	563742608	DJYWBRHRNDVBNQ-INIZCTEOSA-N	408.461	5.075	30	20	HKED	
Cc1sc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1-c1ccc(F)cc1	564127008	AREPMXQOGCNNGZ-UHFFFAOYSA-N	408.498	5.023	30	20	HKED	
C=C(C)Cn1c(-c2ccc(C)s2)nnc1N(C)Cc1csc([C@H](C)OCC)n1	568734733	VOAGTNFFHAWZLO-HNNXBMFYSA-N	417.604	5.082	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ccn(-c4ccc(Cl)cc4)n3)cc2)ccn1	581639710	BFIXAUXJDMQCOY-UHFFFAOYSA-N	401.857	5.197	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(C(F)F)ccc3Cl)o2)cc1	582570707	MLYDKQXREAQUNU-UHFFFAOYSA-N	402.784	5.574	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	588993842	LRVDYBNEANLKDM-WOVMCDHWSA-N	418.419	5.330	30	20	HKED	
Cc1[nH]c2c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cccc2c1C	603920926	KAXLRLHMMAAGAN-UHFFFAOYSA-N	409.489	5.682	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(COc2ccccc2C#N)o1	603950856	PJRUSKNHBJGMCC-UHFFFAOYSA-N	412.898	5.274	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	604130524	PNYNNRSRSUPYQQ-AWEZNQCLSA-N	421.419	5.169	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	604458534	ADZIUGGRMLNKJG-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(N(C)C)c1	607757662	RNLQJMKCYBIGIN-UHFFFAOYSA-N	414.962	5.055	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCCOCc3ccccc3)cc2)c1	609064933	SSLISVDZRRKBOI-UHFFFAOYSA-N	400.478	5.073	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	609317975	GENNDUVDIZLMCX-UHFFFAOYSA-N	402.376	5.162	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc2ccccc12	609436393	NATFLJFVKZADKN-IAGOWNOFSA-N	417.534	5.050	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609514260	OXZGWYGPFBLXRM-VWLOTQADSA-N	412.489	5.531	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc(F)cc2)CC1	609683037	WQWWEVKXUCSWHG-INIZCTEOSA-N	413.518	5.295	30	20	HKED	
COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	610323965	ADBZPTOWHFJXKU-JOCHJYFZSA-N	415.449	5.004	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)N[C@H](C)c2cccc(C#N)c2)s1	610407568	ZNNNZTLPEWJWSN-LJQANCHMSA-N	403.551	5.444	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)Sc1ccc(C#N)cc1Cl	611102354	BKUUBUMKJDWBJW-HNNXBMFYSA-N	410.930	5.134	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(OCCc3ccccc3)c2)c(Cl)c1	619732551	SKNXMZWOQDLLEL-UHFFFAOYSA-N	411.288	5.739	30	20	HKED	
Fc1cccc(F)c1-c1csc(CN2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)n1	681403720	CVBNEDHSCICOFB-DTORHVGOSA-N	416.337	5.261	30	20	HKED	
CC(C)[C@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	727628971	PKFXCUOKZJIWEX-UZLBHIALSA-N	413.493	5.566	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	727744192	MFGGGICZQCJIKW-YUSFRKCESA-N	411.914	5.303	30	20	HKED	
CNC(=O)c1ccc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1	728438844	QTNDHNJEQGSJKD-VBKFSLOCSA-N	408.910	5.036	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	730920303	JKTGQBHSCSGWSR-SGNDLWITSA-N	404.469	5.444	30	20	HKED	
CCOc1ccc(SCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	739597776	DUKXLICAMKGNLI-UHFFFAOYSA-N	408.548	5.094	30	20	HKED	
CC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(OC)cc1	740060612	VVLUOAKVYSGPLM-NRFANRHFSA-N	405.523	5.246	30	20	HKED	
N#Cc1ccc(CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C2CC2)cc1	740484636	QQCPXYYINUREQS-UHFFFAOYSA-N	412.518	5.033	30	20	HKED	
CCC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1c(C)nn(C)c1C	741836496	BANAHZUSZFTFJB-UHFFFAOYSA-N	408.506	5.074	30	20	HKED	
C[C@@H]1Sc2sccc2C(=O)/C1=C\c1ccc(OCc2occc2C(=O)O)cc1	742437035	QHNKPJFGSRJRLF-NJPLLEPOSA-N	412.488	5.379	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	743626296	UPIINDSEQSFYLA-KRWDZBQOSA-N	419.550	5.068	30	20	HKED	
CCOc1ccccc1C=NO[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1	744443065	IDACIKZDWIHLKJ-CYBMUJFWSA-N	405.376	5.266	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC)c1ccncc1	745827245	HYIRDSPINNXVPI-GGAORHGYSA-N	421.928	5.450	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C	747109841	IBGFPYDGWFNQOK-OAQYLSRUSA-N	415.518	5.334	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)ccc1OC(F)F	747122415	KASZTSDAUAFRIY-KRXBUXKQSA-N	414.360	5.151	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	750915300	DIMSOAZQUYUHGV-QPJJXVBHSA-N	422.346	5.024	30	20	HKED	
COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)C2	752486060	UWOAXXSPMSUJNW-NOZRDPDXSA-N	411.505	5.030	30	20	HKED	
CC(C)(CCC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	754526662	KPPYJCGJRJNSJE-KRWDZBQOSA-N	419.550	5.210	30	20	HKED	
COc1cc(C(C)=NNc2cncc(Br)c2)ccc1SC(F)F	758117027	FFLZAIFNZPVHKK-UHFFFAOYSA-N	402.264	5.004	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1O	765493473	WBFPAKSOZOAVBN-GOSISDBHSA-N	410.477	5.077	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(Cc4ccc(Cl)cc4)CC3)n2)cc1	771259116	OOLWFAZWPBSBTP-IBGZPJMESA-N	422.937	5.671	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(SC(F)F)cc2)ccc1OC	772987430	VDPZVYILWOQWAJ-PBHICJAKSA-N	406.498	5.542	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(Br)n1	778050928	QPVRBUMIBWNFEU-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)Nc3ccccc3O[C@@H](C)C#N)sc2n1	780153795	YDAOCLIIOCRWSW-INIZCTEOSA-N	416.506	5.247	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ncc3Cl)cc2F)c1	780592000	ZEBVCFNARVAGIR-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1	780681221	KPPFGKKLBDGIEF-CQSZACIVSA-N	403.404	5.193	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cnc(-c3ccc(Cl)cc3)s2)cc1NC(C)=O	789129870	YKLYKUPQZFNCPY-CMDGGOBGSA-N	412.898	5.327	30	20	HKED	
Cc1ccccc1[C@H](C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)CC(C)C	792923814	CUFUSVFPXDRGDJ-UGKGYDQZSA-N	412.537	5.251	30	20	HKED	
Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](C)c3ccccc3-c3ccccc3)CC2)o1	793144129	XFNJFMTYLBHXRH-QGZVFWFLSA-N	415.493	5.043	30	20	HKED	
N#CCOc1ccc(CN[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1	796472785	XKKIQNCVKCPPQR-GOSISDBHSA-N	408.716	5.271	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1	802041938	JFZQPOPUGUGVKC-MJXNMMHHSA-N	420.406	5.577	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C(/C)c1ccccc1OC(F)F	804558965	NSIDNVIQCAETOU-YVLHZVERSA-N	403.473	5.074	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1Br	806620448	WWRWFOYVOIUYEM-UHFFFAOYSA-N	423.314	5.214	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1	816857568	KXYQGAVOEQZEEF-QGZVFWFLSA-N	416.587	5.017	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1nc2ccccc2s1	865289605	AOCPSZCJJLYTDL-OAQYLSRUSA-N	411.530	5.175	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1	915352248	JAYDUYZJACHOJE-AREMUKBSSA-N	409.533	5.829	30	20	HKED	
CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915352387	HGSZIVHRDLGDCY-NRFANRHFSA-N	424.331	6.313	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2ccnc3cc(Cl)ccc23)cs1	916269395	LRXVWFNKFUBPGH-UHFFFAOYSA-N	421.913	5.475	30	20	HKED	
O=C(/C=C\c1cccs1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	916845451	XMELRSZEANQISY-QXMHVHEDSA-N	418.568	6.382	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(SC(F)(F)F)cc1	916916679	ZRSNBHMGIGIVBH-KRWDZBQOSA-N	414.408	5.413	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc2cccc(F)c12	916936133	BBHOTSDPRZDMBN-LLVKDONJSA-N	404.825	5.103	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	917600594	ZWKUKZVSDGEGCY-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccccc3Cl)n2)cc1	920139635	WJWFWIRWVUVKTP-HNNXBMFYSA-N	414.939	5.441	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)n1-c1ccccn1	921034821	FYGTYKHOSXBOTE-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)CC1	1789115228	RPYMZYKQFADPDH-FQEVSTJZSA-N	413.521	5.052	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n1	10657826	JKSOKOQFZAIDDR-GFCCVEGCSA-N	404.417	5.492	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1	25839652	PKDQVSCOTMYIEW-UHFFFAOYSA-N	410.473	6.065	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(C)no2)nc2sc(-c3ccccc3)c(C)c2c1=O	31751254	WNPZDTZFKDHIAI-ZDUSSCGKSA-N	424.551	5.164	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1nc2ccccc2s1	41499759	BSMIVMYNFQRJNS-HNNXBMFYSA-N	407.545	5.535	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2n1	147960725	MDZQOQOTUCOPDC-INIZCTEOSA-N	407.260	5.217	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@H](C)C2	209947647	OYZNSTOVBKFGML-CZDHMLMNSA-N	422.550	5.455	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(CNCc3cccc(OCCCC#N)c3)c2)cc1	237650409	NTYZXCVRVOHROQ-UHFFFAOYSA-N	413.521	5.220	30	20	HKED	
N#Cc1cc(Oc2ccc(C(=O)Nc3ccccc3)cc2)nc2ccc([N+](=O)[O-])cc12	302712669	ZSQGPTZBQNIBTD-UHFFFAOYSA-N	410.389	5.059	30	20	HKED	
CCC(CC)CN(CC)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1	303101648	HTHXJCGYMFNWDT-UHFFFAOYSA-N	423.582	5.187	30	20	HKED	
CCOc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	303399919	QPSIHXRVUQVQGH-PGRDOPGGSA-N	423.582	5.113	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303668835	JCWDLYFDKAVDCS-GHMZBOCLSA-N	419.287	5.152	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cs2)cc1	430618471	UMQWOXVGJJIXOX-OAHLLOKOSA-N	411.552	5.453	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1ccccc1	432687523	RICVJAHUNNQSJM-INIZCTEOSA-N	409.383	5.323	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	432830969	HYBRIUHBBXSBOY-UHFFFAOYSA-N	412.424	5.339	30	20	HKED	
N#CCCC[C@@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1	433021388	QXNBCCLUYZFBCA-GOSISDBHSA-N	400.404	5.280	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	434662132	LBWFROJJZLJWQC-GOSISDBHSA-N	420.365	5.385	30	20	HKED	
CC1(C)Cc2ccc(Cl)c(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2O1	435332769	MLXNULJSFOKUHB-MJGOQNOKSA-N	409.917	5.357	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	436204030	AABOTQPTDAVPSN-MRXNPFEDSA-N	402.523	5.388	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12	437889353	KNWRQGWAOZYUTC-HKUYNNGSSA-N	422.435	5.140	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)c2)cc1	439027586	JCUACRFVHGLPOS-AHKZPQOWSA-N	408.501	5.174	30	20	HKED	
CN(C(=O)c1ccccc1NCc1ccc(C#N)cc1OC(F)F)C1CCCCC1	439552331	RVZWSEIYRHNRRN-UHFFFAOYSA-N	413.468	5.176	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)NCC3CCC(C#N)CC3)c(C)c2)n1	440983346	YCVNGPLUHMJVKB-UHFFFAOYSA-N	400.573	5.363	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)s1	443601004	JEHNDEXPGCKIIM-VXGBXAGGSA-N	424.389	5.645	30	20	HKED	
N#CC(CCN1CCC(c2noc(C3CC3)n2)CC1)(c1ccccc1)c1ccccc1	444687514	VFSHFERXIWRXEH-UHFFFAOYSA-N	412.537	5.026	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)CCCC1(C)C	444859752	LQKUVGVVZPWJOS-HXUWFJFHSA-N	413.493	5.578	30	20	HKED	
CC[C@@H](NC(=O)CCCC#N)c1ccccc1OCc1ccccc1Br	462076860	XQLCQFAVBSEBQT-LJQANCHMSA-N	415.331	5.289	30	20	HKED	
CCn1c(SCCC(C)(C)C#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	463267707	RXBQRUANIRIXDZ-UHFFFAOYSA-N	415.559	5.624	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(-c2ccc(OC)cc2)s1	463460531	HQDJJIZUJMUTCU-UHFFFAOYSA-N	404.944	5.362	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)o2)c(C)c1	464420662	NTEMZJWXIPZAOM-QGZVFWFLSA-N	414.383	5.379	30	20	HKED	
Cc1cc2c(cc1C)[C@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCO2	469330780	UIVDIUWOUABBFS-JOCHJYFZSA-N	403.526	5.212	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)cc1Br	471261635	IPYAFRVCCPWOOL-LLVKDONJSA-N	409.736	5.749	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3nnc(-c4ccccc4Cl)o3)c2)c1	471603130	FVMMOFGMIJZKLB-UHFFFAOYSA-N	416.868	5.453	30	20	HKED	
C[C@H](NC(=O)c1cc(COC(C)(C)C)on1)c1ccc(-c2cccc(C#N)c2)cc1	472003299	RFPJJIVDSUWXDG-INIZCTEOSA-N	403.482	5.019	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	472837061	WELHBGQJJKOBSZ-UHFFFAOYSA-N	413.521	5.888	30	20	HKED	
N#CC[C@@H](CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1	474424906	GNUZDSYOLTWEMJ-UPVQGACJSA-N	407.517	5.504	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1	474913545	YJQPGBLLLIQJMT-UHFFFAOYSA-N	407.489	5.398	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc(-c2cnc[nH]2)cc1	474939417	BDJNDKKIYLWPLR-LBPRGKRZSA-N	416.428	5.086	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)nc1-c1ccc(Cl)cc1	476299281	JEEKRNWVPJXMKA-DNVCBOLYSA-N	423.969	6.037	30	20	HKED	
Cc1sc([C@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)nc1-c1ccc(Cl)cc1	476299533	JEEKRNWVPJXMKA-KXBFYZLASA-N	423.969	6.037	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1Cl	476507101	GOQLNJGGTWWXNM-NZQKXSOJSA-N	415.924	6.017	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCSCc1nc(O)c2ccccc2n1	476769135	BLWCYQNHEAANSE-UHFFFAOYSA-N	421.566	5.449	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	477450527	VCKHAGMCVHZWMO-HNAYVOBHSA-N	421.488	5.624	30	20	HKED	
Cc1nc([C@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)oc1-c1ccc(Cl)cc1	477762921	HLIUEEUZIGPNFM-AVRDEDQJSA-N	420.944	5.247	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCc2c(O)cccc21	481184945	BZDXUJTVXDSDHL-FQEVSTJZSA-N	400.503	5.222	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(N2CCc3ccccc3C2)nc1	481928090	QONWBWFJBYFPBX-AREMUKBSSA-N	408.549	5.073	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482407958	BGWMEHIVBAIBTI-KCJUWKMLSA-N	410.280	5.339	30	20	HKED	
CCc1c(C)sc(NC(=O)c2c(-c3c(Cl)cccc3OC)noc2C)c1C#N	483463992	UFWGNXFYCRWQMP-UHFFFAOYSA-N	415.902	5.368	30	20	HKED	
CCC[C@H](NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N)c1ccccc1	488760407	DZWLEEUQQOFBPW-CJNGLKHVSA-N	407.461	5.110	30	20	HKED	
C=CCn1c(SCC(=O)c2sc3ccccc3c2C)nnc1-c1ccccn1	488906982	HWHSEVMWXCVJNW-UHFFFAOYSA-N	406.536	5.024	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1ccccc1	499339701	FUJCHTOOKUCANM-UHFFFAOYSA-N	414.534	5.397	30	20	HKED	
CCN(C(=O)COc1ccccc1OCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1	503177481	JTXBHEOVLFCQPO-FQEVSTJZSA-N	414.505	5.126	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCC(C)C	505246891	IJPVFSQSILEFNI-KRWDZBQOSA-N	409.530	5.414	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	505443241	FHSPGGQFOWANIR-CYBMUJFWSA-N	421.831	5.728	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccncc2C(F)(F)F)cc1Cl	506458231	ADJRVUDJXOPFEY-KRWDZBQOSA-N	415.802	5.662	30	20	HKED	
CC1(C#N)CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1	507722789	UJXXQWVOOUBUJJ-UHFFFAOYSA-N	402.325	5.371	30	20	HKED	
C=CCn1c(SC[C@H](OC)c2ccc(Cl)cc2)nnc1-c1ccccc1OC	509101123	WTJWRUIIJWEKKK-IBGZPJMESA-N	415.946	5.273	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21	512526581	HWMYSUXWITXUBP-AWEZNQCLSA-N	415.324	5.018	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21	513655213	OZCZDTJMPZTZMA-FQEVSTJZSA-N	422.513	5.227	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)s2)cc1	514517275	LBNLOEUYAYQINT-LBPRGKRZSA-N	423.563	5.437	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1	517604922	YTTDPVTZYFCSBU-VBQJREDUSA-N	424.125	5.240	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1	517881771	DHOBWTKQXPUKEF-OAHLLOKOSA-N	410.411	5.226	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)o2)cc1	518709338	SWVZGMKYLUXGQI-NRFANRHFSA-N	400.478	5.441	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1	518756609	DLMBBMVHXUCDKX-GOSISDBHSA-N	422.598	5.039	30	20	HKED	
C=CCN(C(=O)c1ncoc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	520079821	OKYKDMWETJBWDD-UHFFFAOYSA-N	401.491	5.606	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)s2)cc1	521390291	ULKHIDWUTKRSFU-UHFFFAOYSA-N	405.376	5.016	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	521736493	HMLREFCCQRZOLT-QFIPXVFZSA-N	421.953	5.760	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Oc1ccncc1	522310733	NFDCWWLLHBOCTK-CQSZACIVSA-N	403.507	5.493	30	20	HKED	
CCN(Cc1ncc(-c2ccccc2Br)o1)[C@H](C)c1ccc(C#N)cc1	525633515	XMKBDMMLIVWORE-OAHLLOKOSA-N	410.315	5.559	30	20	HKED	
N#CCc1ccnc(NC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)c1	532438312	WTZDHZHTMMWVCI-UHFFFAOYSA-N	422.444	5.380	30	20	HKED	
N#CCC[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1	533359678	AGNUYCBQNSJSEJ-QHCPKHFHSA-N	403.913	5.727	30	20	HKED	
COc1ccc(Cl)cc1[C@@H](CC(C)C)NCc1nnc(-c2ccc(C#N)cc2)o1	537113048	VRMRLKLBLZEFNS-LJQANCHMSA-N	410.905	5.147	30	20	HKED	
CCC(CC)n1nc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1C	539549092	VGRPAUZAUNSXIY-UHFFFAOYSA-N	403.486	5.172	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N	542669316	FIBPYLXHNYVYGR-UHFFFAOYSA-N	407.514	5.011	30	20	HKED	
N#CCCn1cc(CNc2ncc(Cc3cccc(F)c3)s2)c(-c2ccccc2)n1	542753250	BMJKZDCAFHOINT-UHFFFAOYSA-N	417.513	5.262	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1	543944072	ZJFSKNNPONQOTJ-INIZCTEOSA-N	405.448	5.406	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)COc1ccccc1-c1ccccc1	553452098	GZYGCWDWJQECGR-UHFFFAOYSA-N	403.526	5.115	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CC(Cc4ccccc4Cl)C3)cc2)ccn1	573023771	AFYWBFACWQHQHQ-UHFFFAOYSA-N	418.884	5.105	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c(C)c2c1	594569474	VHABGQARTYAIFP-HNNXBMFYSA-N	420.534	5.767	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c(C)c2c1	594569475	VHABGQARTYAIFP-OAHLLOKOSA-N	420.534	5.767	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4sc(C)c(C)c4C#N)cc3)o2)c1	603007098	XYASQGAGDLGWBH-UHFFFAOYSA-N	414.490	5.514	30	20	HKED	
COc1ccccc1OCCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	603532878	BROUJFKJUAWSIQ-UHFFFAOYSA-N	418.468	5.017	30	20	HKED	
N#C[C@@]1(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)CCSC1	603883283	MQSKBRRUOPVNSF-NRFANRHFSA-N	400.569	5.128	30	20	HKED	
N#Cc1ccccc1CS(=O)(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	608784472	ZJXPGVVZJPUJSJ-UHFFFAOYSA-N	416.329	5.569	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1	608803100	HCTPDKHLUNMEKO-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
CCc1c(C)sc(NC(=O)CSCc2ccc(Br)cc2)c1C#N	609032982	NOEWANMNTMQCLL-UHFFFAOYSA-N	409.374	5.125	30	20	HKED	
C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1c(Cl)cccc1Cl	609141203	KUZFGDOMCWEOLS-CQSZACIVSA-N	403.309	5.039	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1	609221843	DMIXGIGJGBXRKI-KRWDZBQOSA-N	419.912	6.060	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1c(Cl)ccc2cccnc12	609236596	NQASHNPNVACQKF-UHFFFAOYSA-N	402.306	5.285	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCc2sccc2C1	609340190	XGTUTEKFYYJIBJ-UHFFFAOYSA-N	417.534	5.488	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1ccc(C#N)cc1	609813557	LAQMFINYYVAVNG-OAHLLOKOSA-N	410.930	5.421	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(O)nc2cc(F)ccc12	610042115	DEGACKVJTKVHBC-UHFFFAOYSA-N	413.408	5.304	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=O)N[C@@H](C)c1cccc(C#N)c1	610356092	IZNQUTFBDKFMQY-HNNXBMFYSA-N	400.320	5.004	30	20	HKED	
C[C@H](NC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cccc(C#N)c1	610357760	SSTPTHQEWNIYKY-QMHKHESXSA-N	405.448	5.181	30	20	HKED	
N#Cc1ccc(NCc2nc(-c3cccc(Oc4ccc(Cl)cc4)n3)no2)cc1	612957684	YJIUTQQYLQWRJZ-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1nc2cc(Cl)ccc2s1	613406917	AUPNBTJNPIRUNE-SNVBAGLBSA-N	401.925	5.625	30	20	HKED	
C=C(C)COc1cc(CNCc2ccccc2CN2CCCC[C@@H]2C)ccc1OC	622266557	CJZSMLPLLPIOJE-NRFANRHFSA-N	408.586	5.314	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1ccc(O)cc1	642726875	DZAMZTSKMYAELU-JOCHJYFZSA-N	411.509	5.117	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(F)c1	645071434	YKRNIYRYRPMPNA-IUCAKERBSA-N	423.275	5.066	30	20	HKED	
Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)[C@@H](C)CC#N)c2=S)cc1	728903840	HCJKMYJKMDUKPI-INIZCTEOSA-N	411.962	5.224	30	20	HKED	
N#C[C@@H](NC(=O)/C=C\c1ccc(Cl)s1)c1ccc(OCc2ccccc2)cc1	729369487	GMEPSSPJHOJYSM-DDNJPHGJSA-N	408.910	5.375	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732496375	SPNHCPIHIRVULY-IUODEOHRSA-N	420.481	5.920	30	20	HKED	
CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3C)o2)cc1	734304097	DTMFZJKPJNSGCT-FMIVXFBMSA-N	413.470	5.052	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1)c1ccncc1	734665341	MBVVFSBOMWTPCY-XZOQPEGZSA-N	405.929	5.635	30	20	HKED	
CCN(Cc1cccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1)C(=O)OC(C)(C)C	737001837	CMZKXLOFFDIQTE-QGZVFWFLSA-N	422.529	5.198	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	737844683	RHLHMDQWUAGLDA-HNNXBMFYSA-N	404.228	5.091	30	20	HKED	
CON=Cc1ccc(C(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1	739766313	PHLMLGAUZHUPLH-KRWDZBQOSA-N	407.539	5.240	30	20	HKED	
N#CCOc1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2)cc1	742260113	IHMFQANJAKSYQC-JOCHJYFZSA-N	407.311	5.231	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	742406210	GVCGBVQLWWBJNQ-QFIPXVFZSA-N	412.320	5.363	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CCc3ccccc3F)n2)cc1	744060795	BKQWHHNOZIPALN-BEFAXECRSA-N	408.498	5.403	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1nc(-c2c(F)cccc2F)cs1	744074219	JTBHXFQEVAQHLU-PNIPZHNDSA-N	420.484	5.559	30	20	HKED	
O=[N+]([O-])c1cc(C=NOCc2csc(C3CCCCC3)n2)ccc1N1CCCC1	744180143	MWSOTWHWCZRWAD-UHFFFAOYSA-N	414.531	5.250	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1	751004915	PVJYEOKJBXTYGD-JFIYKMOQSA-N	415.584	5.120	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1c[nH]c2cc(Br)ccc12	753144630	OQPOEASVFBPYEX-DUXPYHPUSA-N	410.296	5.345	30	20	HKED	
Cc1ccnc(Oc2ccc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)cc2)n1	753775431	TUXJYCWKFSLALQ-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
CC(C)(C)c1ncc(/C=C2/COC/C(=C\c3cnc(C(C)(C)C)s3)C2=O)s1	759611809	GCVSIYKCNTUROZ-MFUUIURDSA-N	402.585	5.261	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(Br)cc1Cl	765614386	VQMDLMKOFBZAJT-FNORWQNLSA-N	405.704	5.517	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c1	772356552	OGLNLPWKSSPFIM-UHFFFAOYSA-N	421.840	5.438	30	20	HKED	
Cc1ncsc1/C=C\C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	777296176	IYNJHQVEQHOMJJ-GJPOAFBZSA-N	409.580	5.266	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)c1ccc(Cl)cc1	777304448	SBZVFONXOOYZGR-RDTXWAMCSA-N	408.910	5.549	30	20	HKED	
Cc1ccc(-c2n[nH]cc2CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1	779596083	RURLUKKKJLQXLK-UHFFFAOYSA-N	402.429	5.180	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)c1	780151829	BPWOHLUEDXAJLP-QGZVFWFLSA-N	403.507	5.393	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccc(C)cc2)cc1	780671235	VMIUOFVNSLEAIB-KOSHJBKYSA-N	415.493	5.206	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	780677485	WEHWAIIAWMJELR-KYJSFNMBSA-N	417.431	5.454	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(-c3ccc(Br)s3)s2)c1	782246088	WWCIMRAFAKVHML-UHFFFAOYSA-N	419.325	5.394	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl	789458175	ZCJBGBCYJQADFO-QKKBWIMNSA-N	404.913	5.575	30	20	HKED	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)cc1	793431820	YXTAWTRWDKAECG-GOSISDBHSA-N	404.491	5.302	30	20	HKED	
Cc1ccc(-c2nc(/C=C\C(=O)c3nc(Br)ccc3F)cs2)cc1	794970800	NKALXPGHBYTEQR-VURMDHGXSA-N	403.276	5.311	30	20	HKED	
C=CC[C@@H](OC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Cl)c(Cl)c1	797553475	IPQCSWCJFFOWGK-LJQANCHMSA-N	422.308	5.299	30	20	HKED	
N#CC1(CCCSc2ncc(-c3ccccc3)n2Cc2ccco2)CCOCC1	798367726	HIVSZHZIMVQAIR-UHFFFAOYSA-N	407.539	5.384	30	20	HKED	
CC(=NOCCCC1(C#N)CCOCC1)c1ccc(OCc2ccc(C)cc2)cc1	799175662	JVOULBQORLEUDD-UHFFFAOYSA-N	406.526	5.415	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F	804356842	RBSLNOLOLDMXKB-JTQLQIEISA-N	400.372	5.488	30	20	HKED	
C#C[C@@H](N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1F	809700076	XETLMBQPQQTOMG-SJKOYZFVSA-N	412.814	5.179	30	20	HKED	
CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1sc(-c2ccc(F)cc2)nc1C	814689837	IEIOPIDXSSPKRD-UHFFFAOYSA-N	403.866	5.445	30	20	HKED	
C=CCCC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	883978420	NHPNGHVBJGCQRD-IXDOHACOSA-N	407.398	5.716	30	20	HKED	
CCOc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	915105173	ZTYOHUKWUBHPNT-OAHLLOKOSA-N	404.413	5.133	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915683755	FMKFZLCPGWEDQX-DFBJGRDBSA-N	413.521	6.012	30	20	HKED	
O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1cc2cc(Cl)ccc2o1	916130370	RAZLSXYWMPAAAP-FNORWQNLSA-N	418.880	5.367	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1cccc2ccccc12	916917800	JRLVSILPZQPVBG-SQVRQVGWSA-N	424.378	5.099	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)o1	916927160	DPEKTLSLWLNHJN-AWEZNQCLSA-N	417.223	5.354	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1OC	918606430	AMCKYMWBFAGMJW-KONDSOJQSA-N	416.521	5.161	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1	918712150	HPBFSLXZSWOKSR-OQLLNIDSSA-N	423.485	5.331	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)c(F)c1	918712973	GNRMUDMJKFMGAO-WTKPLQERSA-N	403.862	5.419	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)cc(OC)c4)CCC3)cc2)C1	1785809122	SFTZYLSBWSGWMA-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1	1823751881	BSULBPYZBPSQDS-GOSISDBHSA-N	420.981	5.159	30	20	HKED	
N#Cc1ccccc1OCC(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1	18091531	RRCQYDCWZQNYSE-UHFFFAOYSA-N	410.307	5.068	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NC2CC2)cc1	22688789	XJPKCBSXMNNKCT-UHFFFAOYSA-O	409.619	5.692	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)nc(C)n1	41573995	ACWZFQORWHMWGE-HXUWFJFHSA-N	407.926	5.529	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	48858793	MNESAUOKOOPIHZ-SFHVURJKSA-N	401.466	5.220	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)Nc3ccccc3SCCC#N)cs2)cc1	78668664	KUOTVEPBVUWLTK-UHFFFAOYSA-N	409.536	5.467	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(COc2ccccc2C#N)c1	303623225	XHIQTHQDJXXRLF-HSZRJFAPSA-N	412.489	5.123	30	20	HKED	
C[C@H](C1CC1)n1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	428219082	LQSPFWTXCSRBBE-MRXNPFEDSA-N	402.523	5.270	30	20	HKED	
CCCn1ccnc1CCCN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	429748817	BYNBMMWDWMEPMW-UHFFFAOYSA-N	417.513	5.054	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430611869	PWIPVJQMZWGYCD-AWEZNQCLSA-N	403.529	5.339	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1cccc(OCc2ccccc2)c1)c1ccccc1	431380412	WQJNTEYJCJNWMX-RUZDIDTESA-N	413.521	5.500	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21	432267486	AFOALQKJUXWXHP-KRWDZBQOSA-N	416.344	5.330	30	20	HKED	
Cc1cc(C)c(NC(=O)CCCCOc2cccc(C#N)c2)c(Br)c1	432875393	YRVOJCQJPKGRAO-UHFFFAOYSA-N	401.304	5.125	30	20	HKED	
C[C@H]1C[C@@H](C)CN(c2nnc(SCCCCC(C)(C)C#N)n2Cc2ccco2)C1	436207239	XAHGHHMVRBBZKP-HDICACEKSA-N	415.607	5.214	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCCCC(=O)c2ccccc2)cc1F	437478396	RRIPVTZTNIWKGF-UHFFFAOYSA-N	416.452	5.871	30	20	HKED	
CC[C@@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	437577341	LCPOHJUKYAJSHI-GFCCVEGCSA-N	421.303	5.542	30	20	HKED	
N#Cc1cc(NC(=O)NCCC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)cc1	438533006	FMBRVVSKRVFIGR-UHFFFAOYSA-N	417.309	5.443	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc([S@](C)=O)c1)c1ccc(C(F)(F)F)cc1	442196077	CKARDBYYUYXTDI-JMQGSBJISA-N	410.461	5.272	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1C(F)(F)F	443881214	HIGRTDOBGZPFNH-UHFFFAOYSA-N	421.831	5.535	30	20	HKED	
COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cn(CCCC#N)c3ccccc13)[C@H]2C	444264173	CMOPOPCVYDGJDH-ROUUACIJSA-N	401.510	5.102	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1cccc([N+](=O)[O-])c1	446058247	ACYTZLGKGUKUOW-UHFFFAOYSA-N	417.440	5.080	30	20	HKED	
N#C[C@H](C(=O)c1ccc2cc(Br)ccc2c1)c1ccc(C(F)(F)F)cn1	448321642	NOCXBVUYWBFDJC-INIZCTEOSA-N	419.200	5.506	30	20	HKED	
C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)c2ccccc12	462951137	QDTDVGOOMDBJFY-OAHLLOKOSA-N	419.912	5.110	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	463531141	JIUNZXRVMAXBBQ-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1cccc(C#N)c1	463815949	RSENJVRMJVPUBF-HNNXBMFYSA-N	403.869	5.206	30	20	HKED	
C[C@H](C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl)c1cccc(C#N)c1	464050895	MLCMYRXXLXSCRY-INIZCTEOSA-N	417.896	5.230	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464408736	RUWDXIFLARMKLM-IBGZPJMESA-N	417.390	5.806	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1	465427228	YFINVOAISMFCQU-HXUWFJFHSA-N	406.445	5.334	30	20	HKED	
C[C@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)c1ccc(C#N)cc1	465666556	VOROVCJXGXRAEH-AWEZNQCLSA-N	419.447	5.315	30	20	HKED	
CC(C)c1ccc(CN(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	470541889	LDYDDSPYAUDABB-UHFFFAOYSA-N	418.541	5.057	30	20	HKED	
C=C(C)[C@@H](NCc1cc(OC)c(OC)cc1Br)c1ccc(F)c(F)c1	479412745	UVKKNEQYGOOUHZ-LJQANCHMSA-N	412.274	5.152	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1	480219660	PWCNMXSDVDMONE-QFIPXVFZSA-N	423.944	5.523	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2o1	481946421	XDTVHYNPKJXVGF-HUUCEWRRSA-N	411.552	5.655	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2nnc(CC)o2)cc1	482467336	GIAAGIIGTYLFTM-UHFFFAOYSA-N	417.387	5.135	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)c1ccc(F)cc1	484275769	AEQOIWGQWMZMKN-UHFFFAOYSA-N	402.469	5.501	30	20	HKED	
CCOc1cc(/C=C/c2nc3ccccc3n2CC#N)ccc1OCC(F)(F)F	485979617	DSALTXQFPSDNGD-CSKARUKUSA-N	401.388	5.070	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1	486254906	UIERWOKEAWRVDL-UHFFFAOYSA-N	408.567	5.622	30	20	HKED	
N#Cc1ccc([C@@H](Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C(N)=O)cc1	488201169	ZQGNWTBOLGVCOG-HXUWFJFHSA-N	411.383	5.008	30	20	HKED	
C=C[C@@H]1CCCCN1Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1	489471208	GQTBRNHCIQDXHY-QGZVFWFLSA-N	409.477	5.387	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(Br)cc1	499430170	FZNRXXNJVVBZLD-NJYVYQBISA-N	405.295	5.087	30	20	HKED	
Cc1nc([C@H]2CCCCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)no1	501139509	ZONJRPSABKSHGQ-OAQYLSRUSA-N	417.469	5.191	30	20	HKED	
Cc1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c(Br)s1	501186652	KLJJOTKUCYJHPX-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N(C)C)cc1C	502662367	UXSGQAGYYZMKJQ-UHFFFAOYSA-N	420.326	5.183	30	20	HKED	
CCOC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	506705737	QYMIEABROJEQAM-UTKZUKDTSA-N	411.933	5.276	30	20	HKED	
C=CCOc1ccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1Cl	506804497	JTFNAIRWFQWSBO-UHFFFAOYSA-N	413.732	5.282	30	20	HKED	
C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1	507784056	ICQVPUHVBUEOFZ-AWEZNQCLSA-N	421.859	5.094	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)cc1	507839795	YWHBSOMSRPZMGQ-QGZVFWFLSA-N	401.466	5.107	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccnc2)cc1	508261093	WUJLBRXWILBETD-NRFANRHFSA-N	414.465	5.123	30	20	HKED	
COc1ccccc1NC(=O)c1cc(SC[C@@H](C#N)CCC#N)nc2ccccc12	508437682	JSXHSNJMYBXYCW-MRXNPFEDSA-N	416.506	5.031	30	20	HKED	
CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCSc2ccc(Br)cc21	510006124	FTOREJFGUCOOMU-INIZCTEOSA-N	420.307	5.161	30	20	HKED	
CSc1ccccc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N	511934437	MLOVWRPFGAFNHI-HNNXBMFYSA-N	402.610	5.532	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1	512198496	SYMDBNWSTXOYRI-RUZDIDTESA-N	418.537	5.147	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	512361769	DNZBQWMFILHKET-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(s3)CC[C@@H](C)C4)n2)cc1	516269987	IKCFWLLTTYKTQK-DYVFJYSZSA-N	408.548	5.495	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	517795583	CSWJUBYLFLNHLO-CQSZACIVSA-N	415.312	5.336	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1	518660921	JCCSTWCAGITXFJ-CYBMUJFWSA-N	418.444	5.619	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccc(C(F)(F)F)c1	521352772	OLXSSJWPZHJNML-INIZCTEOSA-N	405.763	5.008	30	20	HKED	
Cc1cccc2c(CCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c[nH]c12	525570686	QAOVRXNEEBEZAW-RUZDIDTESA-N	423.516	5.369	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCc3nc4cc(Cl)ccc4s3)CC2)cc1	534322601	LVKDOFCIOLZGPB-UHFFFAOYSA-N	407.926	5.070	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)Nc2ccc(C#N)cc2Cl)C3)cs1	536798060	PLTWHDDNQXLDMU-UHFFFAOYSA-N	414.943	5.295	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1	536971373	IPFLZOJIMJKGJO-UHFFFAOYSA-N	411.571	5.432	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C	537381077	KBGSRKPOWOSGRS-KRWDZBQOSA-N	412.946	5.820	30	20	HKED	
CC(C)c1cccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)o2)c1	537383946	OXXIRWMBRYMPEL-IBGZPJMESA-N	413.502	6.079	30	20	HKED	
CCC[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1F	539325619	OJYKZDRWVFHKLB-KXBFYZLASA-N	417.525	5.429	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2cc(C)oc2C)o1)c1ccc(C(F)(F)F)cc1	540434847	UZSDGLBTNZVYIZ-SFHVURJKSA-N	405.420	5.762	30	20	HKED	
N#CCC1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1	541965758	AENIFHQEODLEPC-HXUWFJFHSA-N	402.325	5.418	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	543304906	RZQSNARWGNAYFX-FIKGOQFSSA-N	409.555	5.704	30	20	HKED	
N#Cc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c(OC(F)F)c1	543981294	NSCJDVRZBVPIEL-FQEVSTJZSA-N	413.855	5.282	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Br)c1Cl	549086955	RYQJATHTWQKWAD-YOEHRIQHSA-N	418.722	5.406	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2	557463715	MZBNYLYKGSMZRP-DTQAZKPQSA-N	401.535	5.405	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CN2CCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1	558180517	DYZVZOULSJCVLJ-KRWDZBQOSA-N	423.488	5.174	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(F)(F)F)CC1	558962920	XIKXGCPAWDVZHO-UHFFFAOYSA-N	410.509	5.234	30	20	HKED	
N#Cc1ccccc1Oc1ccc2nc(C(F)F)nc(Oc3ccccc3C#N)c2c1	571847442	CTJQHOHJWUXTAA-UHFFFAOYSA-N	414.371	5.895	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccccc2cc1OC(F)F	576474194	QEXAILUNUDPDNZ-AWEZNQCLSA-N	412.461	6.088	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCc1cccc(F)c1F	579937229	LGHUQQSCPMUWAJ-CQSZACIVSA-N	406.523	5.273	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	581637674	JAXACQKYTCARHP-QGZVFWFLSA-N	416.481	5.415	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	602226051	BWSRDAHVEBLCIR-INIZCTEOSA-N	405.523	5.137	30	20	HKED	
COc1cc(CC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)ccc1C	603532867	AUVCDOCXQZRSHP-UHFFFAOYSA-N	402.469	5.099	30	20	HKED	
COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)c1cccc(CC#N)c1	604007522	RBCDUNMFARGZKM-UHFFFAOYSA-N	410.882	5.173	30	20	HKED	
CCn1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc2ccccc21	604181680	DZBRHVPZCOTCKZ-UHFFFAOYSA-N	408.461	5.037	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)cn2)cc1	604242454	ZGNWWSUHVKEZDJ-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C#N)c1	604493725	DVOQUBRAFYYGNL-GFCCVEGCSA-N	416.852	5.002	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(C)nc1C1CCCCC1	608847949	OSLSAAXYJIUEMA-UHFFFAOYSA-N	414.509	5.693	30	20	HKED	
CSc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1	609028635	KMPKOFJAZXNCHW-QFIPXVFZSA-N	422.937	5.636	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2)c1	609064654	BXFPMJCFQOBLIH-UHFFFAOYSA-N	423.472	5.364	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)c2)cc1	609209061	VLHYFRXAEOQWMF-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c(F)c1	609252665	FOAJHYDJHDXOIV-NRFANRHFSA-N	411.839	5.079	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCOc1cccc(Cl)c1Cl	609428549	UNCJQGAVMXYMAY-AWEZNQCLSA-N	423.365	6.185	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434523	UUVPHYCRXPGQQO-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NC3(c4ccc(F)cc4)CCCC3)cc2)nc1	609502354	YFFQLLMZHKXXIZ-UHFFFAOYSA-N	401.441	5.084	30	20	HKED	
CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	609638856	LBHDXJOGNCSHNF-GFCCVEGCSA-N	416.852	5.002	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C#N)cc1	609723205	UWWMJHOMOZTCSQ-HNNXBMFYSA-N	401.853	5.367	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cccc(Oc2nccs2)c1	609907129	LMOLNLOTHSSKFK-UHFFFAOYSA-N	411.486	5.654	30	20	HKED	
CCCN(C(=O)Nc1ccc(CC#N)cc1)[C@H](C)c1ccccc1Br	610013956	KGWUBNBNNYPRKH-OAHLLOKOSA-N	400.320	5.520	30	20	HKED	
O=C(c1cc(F)c(Cl)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618300839	GKEBZSOIDPYMKW-BQBZGAKWSA-N	412.132	5.335	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21	618801978	CNPVNTLEAWAZCE-QRWLVFNGSA-N	402.523	5.038	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(OC2CCCCC2)CC1	622917594	ITGKZRXSDJPYED-UHFFFAOYSA-N	408.567	5.494	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1ccc(Br)c(Cl)c1	672239667	HMQFFHKJUVSWHZ-UHFFFAOYSA-N	424.770	5.027	30	20	HKED	
C[C@@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	674444192	GIHJAAIVSBQPTQ-TVYUQYBPSA-N	421.303	5.398	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1ccncc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726446364	ZSQAQGIZSGBHJC-MRXNPFEDSA-N	406.942	5.567	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OCc1ccncc1	726463516	SSJYORKTNHZXPE-UHFFFAOYSA-N	424.913	5.003	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2)[n+]2ccc3c(c2)CCCC3)c1	726572677	IOPGHFQOECSYMX-UHFFFAOYSA-O	411.550	5.158	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)Nc1cc(OCC)ccc1OCC	726897724	OZGMESIUSSPTBR-UHFFFAOYSA-N	410.992	5.584	30	20	HKED	
Clc1ccc(-c2nc3c(s2)C(=NNc2nc(-c4ccncc4)no2)CCC3)cc1	728429202	AKSYMCBYAVKMOS-UHFFFAOYSA-N	422.901	5.061	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3sc(N4CCCC4)nc3Cl)c2)cc1	729536491	FXOQSXYXGNJCHL-UHFFFAOYSA-N	424.913	5.313	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3c(C)cccc3C2)cc1	729566947	ZHKXUYHIHSWWTN-UHFFFAOYSA-N	413.477	5.258	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1nc2cc(Cl)ccc2s1	730922530	UKUBUPQXRWQCLB-GUDVDZBRSA-N	402.906	6.083	30	20	HKED	
Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)c3cccc(CC#N)c3)c2)cc1	731302494	GGYBTVYUQVGKNQ-LJQANCHMSA-N	412.489	5.160	30	20	HKED	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	733095416	GYCSHDAUYHNVDX-QRWLVFNGSA-N	408.860	5.541	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccncc1	734678363	GLIJEGSFZQGUJG-XMMPIXPASA-N	414.484	5.122	30	20	HKED	
CCN(CC)c1ccc(C=Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c(O)c1	734979226	MGIWORIQGFKYHD-GDLZYMKVSA-N	412.599	5.570	30	20	HKED	
CCc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2cc(Cl)ccc2OCC#N)cc1	735318946	SFHSVHXQUDLJQA-CVEARBPZSA-N	416.974	5.304	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3csc(-c4ccsc4)n3)cc2F)c1	742261625	OEISRAKYMUAQEU-UHFFFAOYSA-N	421.522	6.073	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Br)ccc2C)cc1	744032562	GXWWOCIXLRGQMB-YJYMSZOUSA-N	413.315	5.232	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(C)c(F)c1	749101784	GLBGSPGCEAWELA-UHFFFAOYSA-N	411.315	5.421	30	20	HKED	
C[C@@H](ON=C(c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F	751954937	NIDODDRZRZXHEN-LLVKDONJSA-N	404.310	5.016	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3nc(Cl)ccc3F)cc2Cl)c1	758986981	GKOZMMGUBBGPGB-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccccc3SC3CCCC3)CCO2)c1	761838589	MIFYVBZNBNPKRM-NRFANRHFSA-N	407.539	5.198	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1	763520686	KUIOJYLFRRTBSD-BRWVUGGUSA-N	419.591	5.116	30	20	HKED	
CC(C)COc1ccc(C(C)(C)C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1	764303159	VOXRPRDYLBSQKV-UHFFFAOYSA-N	415.877	5.071	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(Cl)c4ccccc34)cn2)cc1	766406435	RVCUSIWVQBEFJE-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)cc1	766843884	MTCAINUFAQXESP-ARFHVFGLSA-N	423.419	5.079	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	774318590	WBOJPXWTKQLJNI-KRWDZBQOSA-N	414.795	5.097	30	20	HKED	
C[C@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(OCC#N)cc1	776154472	UQZCMQZVJXEPKB-NRFANRHFSA-N	422.532	5.352	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C)ccc2SC2CCCC2)c1	776323889	XZFYCUNENMSUNG-IBGZPJMESA-N	408.567	5.641	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(C3CCCCC3)n2)cc1	776515744	JOSXPIVONYZYKN-KKSFZXQISA-N	406.530	5.171	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)c1ccc(Cl)cc1	777304447	SBZVFONXOOYZGR-KSSFIOAISA-N	408.910	5.549	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	780668911	GFVUCJZAFZCMGG-WUHRBBMRSA-N	423.357	5.008	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	780678082	PRXLYHWNLJRKMS-IERDGZPVSA-N	420.900	5.131	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1OCC	783401088	IPFYWGARZWGBMY-INIZCTEOSA-N	400.544	5.218	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl	787051908	VRMDVGRAIDZPRK-NVGCLXPQSA-N	423.727	5.337	30	20	HKED	
C#CC[C@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	788817526	DLYLGJAKDJZLQP-JTHBVZDNSA-N	416.500	5.217	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccccc1O[C@@H](C)C#N	798214533	HSMRXAMEWMBAED-NSHDSACASA-N	416.264	5.500	30	20	HKED	
Cc1ccc(C(C)C)c(Oc2ccc(/C=C/C(=O)c3ccnc(O)c3)cc2[N+](=O)[O-])c1	806556389	SADAAINGHCMNRG-VMPITWQZSA-N	418.449	5.816	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2coc(C(C)C)n2)cs1	806557581	DQIQXHSAKXVZHY-TWGQIWQCSA-N	415.902	5.489	30	20	HKED	
N#Cc1c(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n[nH]c1C1CC1	807702095	ZFZZVDOYQADJGN-UHFFFAOYSA-N	413.868	5.280	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC([C@@H](O)c3ccc(OCC)cc3)CC2)c1	812931497	NRVLHYCNTNAYKV-DEOSSOPVSA-N	424.541	5.018	30	20	HKED	
CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	813060739	ITCCCYPIRKWDLV-DNVCBOLYSA-N	417.843	5.365	30	20	HKED	
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@@H](CCCC#N)c1ccccc1	817324330	AIEQMAVFMYMEKP-QHCPKHFHSA-N	416.477	5.145	30	20	HKED	
FC(F)Oc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1	916276890	NDFQXDIJQANEAJ-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1	916905319	MUCZRIKLEOZOQF-SFHVURJKSA-N	424.378	5.459	30	20	HKED	
CCCc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)sc1C	916905732	PDPHUJXFEAWMIK-IBGZPJMESA-N	418.518	5.763	30	20	HKED	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917043532	MRIZCIQLCZJNOT-PBHICJAKSA-N	411.452	5.373	30	20	HKED	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	917046117	FTRYTCIELVGJLB-WCQYABFASA-N	405.306	5.555	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2	917783935	RFWJHSQDXUAFCA-UHFFFAOYSA-N	424.957	5.679	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	920782594	BEMSFUHMPMFWSV-XMMPIXPASA-N	413.521	5.841	30	20	HKED	
CC1(C)CCC(CC(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)CC1	1790570648	YLQRZCOVPRUBSH-UHFFFAOYSA-N	407.558	5.031	30	20	HKED	
C=C1CC(C(=O)N2CCCC23CN(C(=O)CCCCCCCCc2ccccc2)C3)C1	1841020625	QUDHPWCCGGRNNY-UHFFFAOYSA-N	422.613	5.129	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1cccc(C)c1	14871873	WPAVYMIXTBIEOZ-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
Cc1cc(C)c(C(=O)/C(=C(\S)Nc2ccc(C)c(F)c2)[n+]2cccc(O)c2)cc1C	22732117	VSQDWEPDBSJFII-UHFFFAOYSA-O	423.533	5.103	30	20	HKED	
C=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)c1nc(-c2ccccc2)cs1	24469660	SOYVPZRGUFYMCS-UHFFFAOYSA-N	415.518	5.535	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1ccccc1	58642427	QXDROLCUBFIRBQ-UHFFFAOYSA-N	410.521	5.820	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc(OC)c1OC	65366832	KVSYZVUTZMBGRL-UHFFFAOYSA-N	423.538	5.186	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cc(-c3cccs3)nc3ccccc23)nc2ccccc21	98072082	YWRVIGFKAWTCAB-QGZVFWFLSA-N	408.486	5.340	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(OCc3ccccc3)cc2)cc1	104860937	PQJTZNSRKCZSCG-UHFFFAOYSA-N	400.478	5.225	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)ccc1OCC(F)(F)F	110958753	CDWPLFRSGHCGGE-LJQANCHMSA-N	417.431	5.128	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1ccccc1F	218961140	MYFUZDCHXYGTNR-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(Cl)c1	261449554	DHDDYTKWEVAKHU-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	303533643	RUZBEUVLQIDQGW-SFTDATJTSA-N	404.416	5.679	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)c1ccc2c(c1)OCO2	428196859	GJHZAAIXDZORQM-INIZCTEOSA-N	400.434	5.130	30	20	HKED	
Cc1cc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ncn1	428346847	IMRJENISHFIZLF-ZDUSSCGKSA-N	417.275	5.216	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1	435289151	MSJJDLIWDWEYPE-IBGZPJMESA-N	401.466	5.239	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1F	437498688	TZUGTPUFARPLBS-INIZCTEOSA-N	402.425	5.385	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c(Cl)c1	438898572	XVPIZRRGESEBKM-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1	441193434	AGQUMTKRROBFMQ-IBGZPJMESA-N	423.904	5.244	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c(F)c1	445672865	CDISFUYLUMDCAX-UHFFFAOYSA-N	410.232	5.519	30	20	HKED	
CC(C)[C@@H](NC(=O)CS[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2	446703639	ANIMDHYJFBDATH-BXKMTCNYSA-N	424.566	5.027	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F	464820873	GRWHGLMCOUQVDJ-YJBOKZPZSA-N	421.850	5.069	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	468770460	BBHHLOIGXRGMLI-UHFFFAOYSA-N	423.344	5.154	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1OC(F)(F)F	469257865	PKYRLZVLGJFFDT-OAHLLOKOSA-N	417.431	5.341	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CNc2ccccc2CC(F)(F)F)ccc1Cl	470552063	QRTIAJDTVDDMCW-UHFFFAOYSA-N	409.839	5.112	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)ccc3-c3ccoc3)s2)cc1	470755919	OOZYPEISGHIRRK-UHFFFAOYSA-N	403.438	5.257	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)sc21	470875301	WZNWBKAVKFQXKG-UHFFFAOYSA-N	424.432	5.489	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3ccc(F)cc3)c3ccccc3Cl)o2)cc1	471607058	RNUBKIQJABWAPL-JOCHJYFZSA-N	418.859	5.280	30	20	HKED	
COc1ccc(CNc2nn([C@H](C)c3ccccc3)cc2C)cc1OCCCC#N	471813830	YQYDVHPYGVGLOC-LJQANCHMSA-N	404.514	5.104	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1)c1ccccc1	475761807	RTKHHLYIURAPQC-QGZVFWFLSA-N	415.493	6.128	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1cccc(C)c1	476690136	DQWCXUHGUGALLA-CYBMUJFWSA-N	417.456	5.220	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)c1	477285932	FRORIHMEQQOIHI-SFHVURJKSA-N	419.319	5.085	30	20	HKED	
O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccc(F)cc1C(F)(F)F	478661659	LIZIGPNEOJYSSZ-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
C=CCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)CCC1	480086725	FQIJLOKGVYJHLX-UHFFFAOYSA-N	407.489	5.101	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(CSCC(=O)OC)c1	480535670	LKABRZYHJNAMJH-UHFFFAOYSA-N	424.975	5.028	30	20	HKED	
C[C@@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	481291561	CTLFCHJXTMMMEH-GHMZBOCLSA-N	422.335	5.259	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482428045	RRUYEBHLKLBYKI-LSBZLQRGSA-N	423.385	5.050	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1	483563669	QUZFXNYCYIADTH-OAQYLSRUSA-N	414.509	6.014	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	487431925	UXZXBQMVVGMSIA-QHCPKHFHSA-N	403.526	5.370	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2cccc(Br)c2)o1	488502217	SBPIABLJIISQQU-UHFFFAOYSA-N	414.328	5.593	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1ccccn1	488927590	DMHVHVRCNVSBEJ-UHFFFAOYSA-N	401.495	5.006	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ncc(-c2cccs2)o1	489671892	UWUGVEAMSOXCAM-UHFFFAOYSA-N	410.524	5.052	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)cccc3C)o2)cc1	489788905	RASOQDZLJZUPTE-MRXNPFEDSA-N	409.511	5.038	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1C(C)C	490645683	BVRCZPNGBIKUKB-UHFFFAOYSA-N	401.510	5.583	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1cc(C#N)ccc1Br	491608634	ZXLSMEUAZQXNIL-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1	495437430	BMRRVVNUOYCRGI-SJORKVTESA-N	411.596	5.126	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2nc(-c3cc(Br)cs3)cs2)cc1	497932229	PXLXGEICWNALMA-UHFFFAOYSA-N	418.341	5.077	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](c3cccc(F)c3)c3ccccn3)c2)c1	498370909	ATTMSYPNDRXIGM-MHZLTWQESA-N	423.491	5.551	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(Cl)ccc2Br)cc1	498477863	PZMPYYMCABFCMU-QGZVFWFLSA-N	405.723	5.395	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	498958094	NPYJXEJFTSXQQE-SFHVURJKSA-N	423.582	5.135	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1csc(-c2ccccn2)n1	499024233	WOCFSAXTHSXORZ-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl	503226141	OVSAJBHDAVBTBX-BLLLJJGKSA-N	420.365	6.054	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)CCOC2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	503566850	JQEKECWGNQQBTQ-ULYJJNKVSA-N	424.591	5.235	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1cccc(Cl)c1Cl	505313104	DJTDBPZASFAWDM-KRWDZBQOSA-N	418.305	5.024	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCC2CCC(F)(F)CC2)cc1	506335778	UZQYWBAFDKDZEE-UHFFFAOYSA-N	400.494	5.406	30	20	HKED	
CC[C@H](CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc(OC)cc1	507577458	IQPGKLACHQJPPK-GOSISDBHSA-N	415.493	5.585	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccccc2)oc1C	508870006	JYHDVMKJZSCUEU-UHFFFAOYSA-N	402.523	5.311	30	20	HKED	
Cc1ccc(CN(Cc2cccs2)C(=O)CC(C)(C)C#N)c(Br)c1	509995855	HDTJDDVZGDDAAA-UHFFFAOYSA-N	405.361	5.288	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1	510111992	GXVVSTLCBGQTCG-UHFFFAOYSA-N	407.445	5.346	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	510124443	QKNNXXQJMQZCMO-GFCCVEGCSA-N	404.879	5.109	30	20	HKED	
O=C(NCC#Cc1cccc(F)c1)c1ccccc1-c1ncc(-c2ccccc2F)o1	513918851	PYGGKYYGULTZIY-UHFFFAOYSA-N	414.411	5.068	30	20	HKED	
CCN(C)C(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	514623288	DAVYQLIWJNDEDI-UHFFFAOYSA-N	415.518	5.054	30	20	HKED	
CCN(C(=O)NCCSCc1ccccc1C#N)[C@@H](C)c1cc2ccccc2o1	516662836	YQMLYOKGTPGYRH-KRWDZBQOSA-N	407.539	5.330	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	517441202	RXWRDQBSPIPJLT-UHFFFAOYSA-N	413.502	5.395	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(O[C@H]4CCOC4)cc3)cc2)cc1	524830886	MZEPCLUERNIQIJ-QHCPKHFHSA-N	415.449	5.162	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)s2)cs1	531228267	SVZWQLGKZCVTSG-QUCCMNQESA-N	422.579	5.161	30	20	HKED	
C=C(C)COc1cc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)ccc1OC	533211178	KEOJFKYBGAKAKJ-UHFFFAOYSA-N	423.557	5.670	30	20	HKED	
COc1ccc([C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1	537293884	KOWAOZSVVFRYJH-GYCJOSAFSA-N	406.913	5.669	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)N(CC)c2ccc(C#N)c(Cl)c2)cc1	539175642	WZTITZDZPLRAOE-UHFFFAOYSA-N	412.917	5.407	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)nn1[C@H](C)C1CC1	541298081	COMSQWDISMAVBQ-MRXNPFEDSA-N	402.523	5.438	30	20	HKED	
C[C@H](CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nccs1	543326392	JVEBBOXCGQJEBW-CQSZACIVSA-N	410.474	5.214	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Br)c(Cl)c3Cl)cc2)CC1	544456910	SKSRSDNHOYALDC-UHFFFAOYSA-N	410.098	5.563	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc(C#N)cc1Cl	551573241	XYCCXAUYEHEFBT-LLVKDONJSA-N	407.873	5.089	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2ccc(COCC(F)(F)F)cc2)no1)c1ccccc1	554790406	GRHNDGUKDBMVFA-SFHVURJKSA-N	401.388	5.055	30	20	HKED	
C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	568935462	YCOIRYLWSZNGCZ-GOSISDBHSA-N	400.313	5.174	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccnc(-c2cccc(F)c2)c1	569276620	HDGGASIVXKKUNB-INIZCTEOSA-N	421.497	5.299	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1)c1ccc(C#N)cc1	571429224	KILZYGMYDPRVJD-HNNXBMFYSA-N	401.432	5.260	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCc3cccc(O)c32)cc1Cl	578828499	OKYSSBCYZSAFRS-UXHICEINSA-N	402.881	5.370	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Br)c1	579181479	LRKJTPLNEHHEEB-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3cccc(Br)c3Cl)cc2)ccn1	600854755	ZLWAFJWDDQEFHO-UHFFFAOYSA-N	414.690	5.774	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)o2)cc1	603765201	SBVWZGKYJIBUIY-UHFFFAOYSA-N	424.460	5.280	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN(C)Cc2ccccc2)c1	604562572	OOPZAUUEDSPTOK-UHFFFAOYSA-N	411.549	5.241	30	20	HKED	
C=CC1CCN(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CC1	604908194	JRDVPLIDZFCPDX-UHFFFAOYSA-N	419.312	5.071	30	20	HKED	
CN(C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1)c1ccccc1	609215258	BHMFVYKERAIPDP-UHFFFAOYSA-N	415.518	5.027	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OC2CCCCC2)nc1	609434671	IFKQRIBISRCGHD-KRWDZBQOSA-N	424.570	5.509	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1	609435212	YLVIRGGBJDQMJK-MAUKXSAKSA-N	422.579	6.060	30	20	HKED	
Cc1[nH]nc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1-c1ccccc1	609549065	BSMQKJVWBLVSOH-UHFFFAOYSA-N	408.461	5.496	30	20	HKED	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609578768	IMMMYIPUQWOOHZ-QHCPKHFHSA-N	400.482	5.607	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Sc2ccccc2Cl)c1C	610053619	DQMAQPBKKGANCG-HNNXBMFYSA-N	410.930	5.134	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(C#N)c1)c1nc2cc(Cl)ccc2n1Cc1ccccc1	610346090	KHVIQKXWGBDQGC-MSOLQXFVSA-N	414.940	6.021	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)o1	613290283	BEXCKAOBUPQLBR-FQEVSTJZSA-N	418.456	5.479	30	20	HKED	
CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@H](C)c1cccc(C#N)c1	613992532	KPOCHBWOPBHCPK-DNVCBOLYSA-N	414.347	5.044	30	20	HKED	
CCc1nc([C@H]2CCCCN2CCC(C#N)(c2ccccc2)c2ccccc2)no1	618275896	NTEWOUQIOAIKLA-JOCHJYFZSA-N	400.526	5.059	30	20	HKED	
C=CCOc1cccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	619321931	FPJFBVMJINYFJO-VXGBXAGGSA-N	410.358	5.282	30	20	HKED	
CC(C)(NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1F	644112011	KIOXUUJWVMWKHJ-QWRGUYRKSA-N	414.365	5.270	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nc2ccccc2[nH]1	673812460	ZSSWCENTLVRCFY-CYBMUJFWSA-N	412.396	5.195	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674442175	GAKFYZHMBALKSY-LPWJVIDDSA-N	419.287	5.008	30	20	HKED	
N#C[C@H](C(=O)c1ccn(C(F)F)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	678921770	QOBHTBBBQVWWLC-SNVBAGLBSA-N	413.236	5.199	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccn1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683409084	FSSKNWUSCYDUCH-MYJAWHEDSA-N	423.279	5.131	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C1CC1	683690209	ZHMWZQRPWKGMCH-HNNXBMFYSA-N	416.424	5.691	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1c(Cl)nc2sccn12	727267386	JFZJHZLZBAFFTE-SREVYHEPSA-N	403.891	5.516	30	20	HKED	
COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	730181466	RHADNXRICXYKBK-XDJHFCHBSA-N	412.489	5.273	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1	733806130	HPFHSPSODXIVAY-FYYLOGMGSA-N	409.505	5.237	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2SC2CCCC2)c1	733842950	GLBDHPOEPFVWOH-GOSISDBHSA-N	409.555	5.724	30	20	HKED	
C=CC[C@@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccncc1	734510179	SMIXUIUEBQORSA-IAGOWNOFSA-N	404.354	5.361	30	20	HKED	
CCCCCCNC(=O)[C@H](C#N)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	735208978	PVDKHJRMFOTRIV-HXUWFJFHSA-N	423.900	5.023	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)OCc3cc(Cl)ccc3OCC#N)s2)c(C)c1	735347629	ZCPQNCSXDVZSOJ-UHFFFAOYSA-N	412.898	5.340	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740059191	HQWMLYNIFQTXNE-JOCHJYFZSA-N	417.534	5.342	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C\c1csc(COc3ccc(Cl)cc3)n1)C2=O	742436375	BFAIPGUELMZCHE-MHWRWJLKSA-N	406.894	5.460	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c1	743191826	LBBRMQGVOGHGLU-UHFFFAOYSA-N	422.872	5.854	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	748328369	YESKFDIITVGPNF-UHFFFAOYSA-N	408.502	5.288	30	20	HKED	
C=CCC[C@@H](NC(=S)Nc1cccc(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	749741289	ASLJLGKBCYZQPE-LJQANCHMSA-N	421.488	5.658	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2ccccc2s1	750681895	RJEJLFDAYRXPJK-DOMZBBRYSA-N	423.950	5.855	30	20	HKED	
COc1cccc(/C(C)=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	751825875	CYGWXELZNUBNIO-NRJHKNTJSA-N	408.910	5.752	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C2SCCCS2)cc1	752038659	JKPIAWSCDDGCOK-SFTDATJTSA-N	408.592	5.467	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	753140330	AOUXFCHRCFVVMZ-AATRIKPKSA-N	419.487	5.738	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C(C)=C\c3ccc(OC)c(F)c3)n2)cc1	755633403	AMAWJVDFHPLUJW-RXEWJAMOSA-N	422.481	5.246	30	20	HKED	
COc1c(F)cc(F)cc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	761688682	XLDVBNLJHFYKJP-YUMQZZPRSA-N	420.300	5.004	30	20	HKED	
N#C[C@@H](C(=O)C1=Cc2cc(F)ccc2OC1)c1nc2cc(C(F)(F)F)ccc2s1	762040620	VTBHYCFBRIQNSZ-AWEZNQCLSA-N	418.371	5.106	30	20	HKED	
O=C(/C=C/c1cnc(-c2cccs2)s1)c1ccc(N2CCOCC2)cc1Cl	762438152	LAELMFPEYHAUHQ-GQCTYLIASA-N	416.955	5.258	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(OCc3ccc(F)cc3)c2)cc1NC(C)=O	766688009	IKLAKRQSQFHSLB-WQLSENKSSA-N	419.452	5.268	30	20	HKED	
CC#CCCCCOC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1	768125938	RDCCAPSDUDUIDI-UHFFFAOYSA-N	404.304	5.082	30	20	HKED	
Cc1cc2c(cc1C)[C@H](C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CO2	770841555	NSHKWPRAEVRQCR-HUUCEWRRSA-N	416.424	5.284	30	20	HKED	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Nc1ccc(F)cc1OCC#N	775669966	DHFRPTQFXNXVJB-KRWDZBQOSA-N	403.457	5.620	30	20	HKED	
CCc1cnccc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	776192543	RDQQCTSYJLMVDT-RMKNXTFCSA-N	411.914	5.335	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Oc2ccccc2-c2nnco2)c1	776336312	KNDOZWDUKMUJLF-UHFFFAOYSA-N	417.808	5.273	30	20	HKED	
CO[C@@H](C)c1nc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1	781846781	NGATXZSRNGPIQV-HNNXBMFYSA-N	424.547	5.371	30	20	HKED	
O=C(/C(=C\c1ncc(C(F)(F)F)s1)c1nc2ccccc2s1)c1ccccc1	788347426	YIOOUHKCNOZYPD-JLHYYAGUSA-N	416.449	6.195	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(F)c(C#N)c2)c(C(F)(F)F)c1	790451403	QEOTUKQULIRZCF-UHFFFAOYSA-N	423.366	5.315	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1	790809846	ZYTYGZCLKQISGZ-SFHVURJKSA-N	415.802	5.662	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C[C@H]1C2(Cl)Cl	791185870	UENUKBMOWXQCCC-UYAOXDASSA-N	419.283	5.146	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccccc1Br)c1nccc2ccccc12	792094646	PBKVURSESSGVIM-QGZVFWFLSA-N	409.283	5.033	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1	793324774	LZCKXBOSJWSTSP-GOSISDBHSA-N	411.505	5.231	30	20	HKED	
C[C@]12CCN(C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]1C2(F)F	794549310	VWHZYQHMBKIPAH-DQNOIUNYSA-N	413.308	5.241	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1=S	794666675	YOHMZZXRCYNWCP-IUODEOHRSA-N	416.900	5.151	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)c1nccc2ccccc12	796899744	KSULFQUDXIHMDX-FQEVSTJZSA-N	401.466	5.380	30	20	HKED	
C#Cc1cncc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)c1	798244224	WRZMRKNYFJRABP-UHFFFAOYSA-N	409.514	5.076	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1	806401562	SNVNRUKHWYESDY-OAHLLOKOSA-N	417.431	5.440	30	20	HKED	
C[C@H](c1cccs1)N1C(=O)/C(=C/c2ccc(C#N)cc2C(F)(F)F)SC1=S	811624632	LOSUBVGMMVPVBH-IIBSKXHVSA-N	424.494	5.601	30	20	HKED	
Cc1nnc(N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(C#N)c1C	811863292	UTDSUTZHSFSFKS-GOSISDBHSA-N	423.517	5.026	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1	815636367	TZFLNZUXERRARR-ROUUACIJSA-N	414.933	5.576	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1CC#N)C(=O)N1c2ccccc2Sc2ccccc21	855396457	ILKFPYJEEIIUDJ-MRXNPFEDSA-N	414.486	5.127	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N	916072134	QXHFSGPVIZTWIE-UHFFFAOYSA-N	424.460	5.063	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	916849207	SVYVNSLFGJTRKJ-LJQANCHMSA-N	412.518	5.006	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917042715	DGPYQCQXZKZTPM-IEBWSBKVSA-N	421.909	5.090	30	20	HKED	
Sc1nnc(-c2cccc(Br)c2)n1N=Cc1cccc2ccccc12	917591837	JZFIPKWPRJSTSH-UHFFFAOYSA-N	409.312	5.032	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1	918154369	LHOBMBWWWYRMSY-XDJHFCHBSA-N	419.527	5.123	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920142519	KSOXPUNCQITEBP-OAQYLSRUSA-N	415.518	5.416	30	20	HKED	
Cc1nn(C(F)F)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	920875274	UXOBVLKAEDMWIM-OAHLLOKOSA-N	420.872	5.091	30	20	HKED	
CC(C)(C)Oc1ccc(NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)cc1C#N	1636100937	MUYKQTFCZPDYJP-UHFFFAOYSA-N	418.497	5.158	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)CCC1	1789108633	HZSHJNOZSDQRQQ-UHFFFAOYSA-N	420.578	5.025	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1	1791586156	VNPQSQCIMBYGER-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccccc2C)cc1	11165220	BMIBEGDWPCSLSK-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1coc(-c2ccccc2)n1	24287555	XSVBBLLEXUMFFK-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccco1	29548638	ZWKDOUGMIICPMZ-CVEARBPZSA-N	410.543	5.357	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	47570329	PCIALEHXZHRLJQ-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2Cl)cc1	65870169	MZDZZRBYQRWMTA-INIZCTEOSA-N	414.958	5.274	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cs1	78720076	SSCJXVBPIYFDPS-OAHLLOKOSA-N	423.563	5.677	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nc(C3CC3)cs2)cc1	138331164	ITQDVDUQVSUUFX-UHFFFAOYSA-N	406.486	5.266	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(-c2noc(C(F)(F)F)n2)cc1	409923922	RFPBCGBCPCTAPM-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	429047050	OYMXHTAXXGLAMT-UHFFFAOYSA-N	404.514	5.125	30	20	HKED	
Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	432839774	OFVWENHANFOEKD-OAQYLSRUSA-N	417.538	5.493	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(C(=O)OC(C)(C)C)cc2)nnc1-c1ccncc1	435142719	XPBIZCFZZVHWFH-UHFFFAOYSA-N	422.554	5.164	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccccc2)CC(F)F)c1	437179367	JWFMGPLVRKEYIT-UHFFFAOYSA-N	406.432	5.045	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(F)(F)F)CC1	437977859	TVXYLQASERKYJS-UHFFFAOYSA-N	417.431	5.252	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1	438853436	DKPGZFNQNDSHFT-RBBKRZOGSA-N	404.901	5.169	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccco3)C2)cc1Cl	441214023	WWWZCQLTXWRCAD-UGKGYDQZSA-N	421.884	5.194	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1nc2ccccc2[nH]1	442613050	AFCVAWHTTFIGHE-CYBMUJFWSA-N	423.259	5.547	30	20	HKED	
Cc1cc(CS[C@H](C)c2nc(O)c3c(-c4ccco4)csc3n2)ccc1C#N	447416035	DKYBEXGMRSDYGB-CYBMUJFWSA-N	407.520	5.831	30	20	HKED	
CC[C@@H](NCc1ccc(Cl)cc1I)c1ccc(C#N)cc1	447566815	WRIABHWVXXAVFD-QGZVFWFLSA-N	410.686	5.057	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)cc2)nc1	460439757	NTMQSVGBMKVYSB-UHFFFAOYSA-N	417.440	5.458	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N(Cc1ccc(F)cc1)CC(F)(F)F	460458539	HCJWKOIFOMDEGI-DLBZAZTESA-N	419.340	5.539	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C#N	462261686	WDUYWGBGBXLIDC-OAHLLOKOSA-N	416.955	5.225	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1	467157165	FLSDGXYUOHWFEC-NRFANRHFSA-N	417.465	5.459	30	20	HKED	
N#CCCCn1cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c2ccccc21	469874309	WZNULRWFFMGWBE-UHFFFAOYSA-N	413.443	5.540	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(C4CCCCC4)cc3)ccc21	469972607	JJVUSOZJXMTUSQ-UHFFFAOYSA-N	415.537	5.570	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	472443976	YBUVBQSMMQPUSH-IFMALSPDSA-N	414.461	5.110	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](COC)Cc1ccccc1	472757077	VMXLEOGSBQBPLG-AZUAARDMSA-N	411.571	5.192	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(F)cc1Br	473767884	VHUIFRQTYXNFQK-UHFFFAOYSA-N	412.324	5.241	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	475241752	AJENYFIBTZGHDJ-UHFFFAOYSA-N	405.473	5.035	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	475568099	CYPFWHCHSQNSJD-OAQYLSRUSA-N	400.469	5.422	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(N(C)C)nc4ccccc34)n2)cc1	478076949	NTUZWYHOCMXEKO-LJQANCHMSA-N	412.518	5.223	30	20	HKED	
CCN(C(=O)Nc1ccn(CCC#N)n1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1	480761377	SILCYJYNMQWTSG-SFHVURJKSA-N	417.513	5.087	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1-c1ncco1	481864742	UNXWUYPHXRGUIC-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1	483632601	DJWXRIAFIVZVKR-IFXJQAMLSA-N	412.415	5.210	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	484251007	GCTQVBZJGMZVTN-SSUCVIGASA-N	424.429	5.117	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	484550807	YMXHTZGIACLVPZ-SFHVURJKSA-N	411.511	5.809	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1	484798620	PJRAEPYIXBUTNR-CYBMUJFWSA-N	411.221	5.494	30	20	HKED	
O=S(=O)(Cc1cccc(C(F)F)c1)Cc1cc(F)c(C(F)(F)F)cc1F	488995614	YZYBGFREFPOYGE-UHFFFAOYSA-N	400.315	5.036	30	20	HKED	
COc1ccccc1[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccco1	494051604	VPMVUGOVSIUXSL-AOMKIAJQSA-N	421.522	5.451	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1	494630451	GFVFRYMIWNCERV-NRFANRHFSA-N	402.922	5.054	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl	497440514	GWGMPLHIEGVUMG-LLVKDONJSA-N	404.825	5.240	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	499741444	HJLAKTHRLIKZHR-HYBUGGRVSA-N	412.574	5.084	30	20	HKED	
CC(C)n1ncc2cc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)cnc21	504322216	SZUDZYSBYUBHAY-UHFFFAOYSA-N	415.522	5.320	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	505320191	JUYTWXHXNSCZEZ-HSZRJFAPSA-N	423.472	5.224	30	20	HKED	
CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1cccc(CC#N)c1	508256945	KEZOZHGUDOUYLN-UHFFFAOYSA-N	412.411	5.694	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	510858603	WYYXUVGKXMPVKX-SFHVURJKSA-N	404.297	5.633	30	20	HKED	
C=CCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2c(s1)CCCC2	512183315	SPNGSBWPSMZNRC-UHFFFAOYSA-N	423.582	5.374	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2cc(C#N)ccc2Cl)c1C	512737097	YIAGYXJQEAYCIE-UHFFFAOYSA-N	419.699	5.573	30	20	HKED	
N#C[C@H](C(=O)c1occc1CSc1ccccc1)c1ccc(C(F)(F)F)cn1	513167168	UTUYBTZBLJXJIZ-INIZCTEOSA-N	402.397	5.476	30	20	HKED	
CCOc1cc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	513201448	HSUBFEJQZJTUBF-OAHLLOKOSA-N	416.424	5.718	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	513214314	GPRNCANCBPMCHF-DZGCQCFKSA-N	424.957	5.321	30	20	HKED	
N#Cc1cccc(/C=C/c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)c1	517620490	DTHJCXJLDUDPRH-JLHYYAGUSA-N	403.445	5.177	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(Br)c1	517651779	YHJMXDCGFMEEBG-UHFFFAOYSA-N	422.282	5.175	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccccc2Cl)n1	518240279	VHQYSATWEVNEKZ-CYBMUJFWSA-N	413.955	6.110	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	518256475	XKLQMCRNOLKVKR-CQSZACIVSA-N	403.935	5.407	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3coc(-c4cccs4)n3)cc2)cc1	518375163	DEQUZPFFICLRIU-UHFFFAOYSA-N	415.474	5.191	30	20	HKED	
COc1ccc(-c2nc(CSCc3cc(C#N)ccc3F)cs2)c(OC)c1	518491274	JPSXFADCKYKGSL-UHFFFAOYSA-N	400.500	5.271	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1	518753471	OSAHBUSTRNCFES-PKOBYXMFSA-N	412.559	5.023	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1	518870967	OFPXJBVZGWPGPN-LBPRGKRZSA-N	406.360	5.180	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c3c2CCCC3)cc1	519436546	UWODKWXUMPWSGT-SFHVURJKSA-N	412.518	5.159	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)c1sc2ccccc2c1CSc1ccccc1Cl	523286395	RAWOFJKYGCRWAF-AWEZNQCLSA-N	414.983	6.079	30	20	HKED	
COc1ccc2cc(CN(C)C(=O)Nc3cccc(C#Cc4ccccn4)c3)ccc2c1	523594153	AGJDXLPLITZSCG-UHFFFAOYSA-N	421.500	5.307	30	20	HKED	
CCN(CC)CCC[C@@H](C)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523893800	ZCBGTHKKLHAINI-QGZVFWFLSA-N	413.949	5.244	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	525348279	RWOBJEHBRORNBB-HSZRJFAPSA-N	400.482	5.751	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1nc2ccccc2o1	534468619	QFSFWVCPLNWJKP-LBPRGKRZSA-N	409.161	5.099	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)c1	536817986	TYCRLEBLVUHMIG-UHFFFAOYSA-N	418.541	5.423	30	20	HKED	
CC[C@H](C)n1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C	538679111	CYKWDUTYFQWUSR-KRWDZBQOSA-N	402.498	5.060	30	20	HKED	
CN(Cc1cccc(OCc2cccc(C#N)c2)c1)Cc1nccn1Cc1ccccc1	538731143	FRKVUZBUJLYVOP-UHFFFAOYSA-N	422.532	5.014	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	542025878	IHQGINDWYSIDPL-HNAYVOBHSA-N	411.575	5.428	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1nnc(-c2cccc(C#N)c2)o1	543512189	HGTNMIQSJQBWBF-CYBMUJFWSA-N	419.485	5.030	30	20	HKED	
N#Cc1ccc(SCc2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cc1	544855664	RWDNEYVXLKRKFF-UHFFFAOYSA-N	420.881	5.741	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cnc(Cc4ccccc4F)s3)n2)cc1	548193291	VRKZYRQAZKYMTG-UHFFFAOYSA-N	420.494	5.120	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)c3cccc(Cl)c3Cl)o2)cc1	549224322	SAWQYOALZAWDCT-UHFFFAOYSA-N	421.305	5.583	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1	549925799	XEGGQRYBALDRBH-UHFFFAOYSA-N	410.474	5.200	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)o2)cc1	557511002	OZEOEIXISGECGX-WXFUMESZSA-N	412.489	5.139	30	20	HKED	
Cc1ccc(-c2ccc(CN(C(=O)C(=O)Nc3sccc3C#N)C(C)C)s2)cc1	559796773	QZAGACMVIUEECC-UHFFFAOYSA-N	423.563	5.032	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c(C)c1	560283390	ZRYLXYHPBKBIHB-GCJKJVERSA-N	423.582	5.376	30	20	HKED	
COc1ccc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)c(C)c1OC	566642072	JLQXBTHBDKNTAL-IBGZPJMESA-N	416.521	5.314	30	20	HKED	
CCOC1CC2(CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)C1	567224750	WQPWPRQZQAEARX-KWLQHXCVSA-N	423.944	5.418	30	20	HKED	
COc1cc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)cc(Cl)c1OC(C)C	578798259	SSRLJUCUOQOGSM-MRXNPFEDSA-N	411.889	5.426	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)c1	589552279	VJLANHRRGYMMPP-UHFFFAOYSA-N	412.287	5.046	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2cccnc2Oc2cccc(F)c2)c1	589739644	ZIMIGWALPOVMHH-UHFFFAOYSA-N	407.445	5.290	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2oc3ccc(CCC(C)=O)cc3c2C)cc1	595442686	LDGBNTORMXAKBD-UHFFFAOYSA-N	418.493	5.222	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1	603530629	OEJBAQADCZUSON-UHFFFAOYSA-N	411.505	5.109	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(OC(F)F)c1	603691366	DSSWJCKNVQHNBG-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
COc1cc(C(=O)N[C@@](C)(C#N)C(C)C)ccc1OCc1ccc(Cl)cc1Cl	604455663	KCLBUNNSQNYJRH-NRFANRHFSA-N	421.324	5.249	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	606548733	QWRXEQLQVSHAMI-IBGZPJMESA-N	402.519	5.178	30	20	HKED	
CCCCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC	608918494	NRDXFLPCIITYHI-IBGZPJMESA-N	423.557	5.427	30	20	HKED	
CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	609047302	XVPORXIJLLVUER-QHCPKHFHSA-N	413.521	5.474	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)Cc1ccccc1Cl	609398741	MZMIDYGIUURTJK-HNNXBMFYSA-N	401.963	5.735	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccccc1C(F)(F)F	609398864	ZKCGIJVQCNOJSJ-ZIAGYGMSSA-N	407.461	5.840	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(Cl)c1Cl	609417014	AHCOZSSGDNCPPB-GFCCVEGCSA-N	413.688	5.995	30	20	HKED	
COc1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)C2CC2)cc1	609424495	RWNMZUYKRXSXOB-CQSZACIVSA-N	415.440	5.001	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1Cl	609783677	DJRQGNDVOTYFQN-XMSQKQJNSA-N	416.908	5.890	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(Nc3ccc(C#N)cc3)c1)CCC2	609989109	AMMWMIZHIYTGSI-NRFANRHFSA-N	402.523	5.216	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)c2)c1	610171289	GNSBQVUAZMQZPB-RBBKRZOGSA-N	404.416	5.158	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1cccc(C#N)c1	610323694	UUXQBCVNLZAIFO-HNNXBMFYSA-N	407.420	5.298	30	20	HKED	
Cc1ccncc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	611301651	IETZADNINDXSJI-OAHLLOKOSA-N	406.873	5.590	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C[C@@H]4CCOC4)C3)cc2)cc1	611357604	NCUZUCUUTRHFAR-UXHICEINSA-N	405.498	5.021	30	20	HKED	
C[C@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	676873193	WNSZRGOGJGOVOY-DCQANWLSSA-N	417.340	5.484	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1	682777501	LIQCKXIADOXWBJ-UHFFFAOYSA-N	405.542	5.095	30	20	HKED	
O=C(CCC(F)F)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F	684425195	OJYXMAHDRYJKKL-UHFFFAOYSA-N	409.301	5.437	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2ccc(C(C)(C)C)cc2)cc1	727038366	KGXJMJOBAPVEQG-QFIPXVFZSA-N	406.526	5.053	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)c1	728536602	PQOGVNMFDULNBV-UHFFFAOYSA-N	402.519	5.382	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)c1	729947167	MNOOEEPHSKWHKJ-NRFANRHFSA-N	408.910	5.714	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1	730686885	RPRVFRAMDIHBMN-DNVCBOLYSA-N	417.317	5.755	30	20	HKED	
C#CCOc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1	730977574	GXRPELGGFSYLLF-UHFFFAOYSA-N	414.486	5.384	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1	730990019	RCAZSLMQEGXMMK-SFHVURJKSA-N	402.519	5.623	30	20	HKED	
N#CCOc1ccc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	733376073	OQHMTAFRHXUVCP-UHFFFAOYSA-N	414.486	5.110	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1	733798371	TWSDLYYALYTIFJ-LVXARBLLSA-N	423.516	5.563	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)ccc1Oc1cccnc1	734234963	GZBFBXXCNLDBQE-ONNFQVAWSA-N	414.505	5.040	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cncc(F)c1	737446640	ZHGKFZBZDVHYNM-GORDUTHDSA-N	417.190	5.048	30	20	HKED	
CCOC(=O)Cc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	738897904	WTKFCEWWBBXEBM-QHCPKHFHSA-N	413.477	5.092	30	20	HKED	
CCOc1cccc([C@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	740047189	WLVQNSFGNLXKRH-INIZCTEOSA-N	405.523	5.246	30	20	HKED	
Cc1cc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)ccc1-n1cncn1	742433823	AULPIUNSIMGXMC-WJDWOHSUSA-N	416.481	5.051	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCCc4cc(OCc5ccccc5)ccc43)o2)c1	743849851	JKOLAVJMQWIADP-UHFFFAOYSA-N	422.488	5.140	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Cl)ccc1Br)c1nc2ccccc2o1	751151678	JWIFTRBYVVNRLN-CYBMUJFWSA-N	403.663	5.053	30	20	HKED	
O=C(O)C(=O)/C(=C/c1cc(C(F)(F)F)ccc1Cl)c1ccc2ccccc2n1	753715591	SMBKOACLGKPREP-GXDHUFHOSA-N	405.759	5.101	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)ccc1F	756928291	UOJZZVRPSWQWCW-UHFFFAOYSA-N	402.425	5.121	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1cc2ccccc2s1	758241804	ITQHKWTZIGWWDO-YOEHRIQHSA-N	411.552	5.008	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H]1CCC[C@H](C(F)(F)F)C1	764749187	ASFVVXKVIGYHBU-RQJHMYQMSA-N	410.223	5.069	30	20	HKED	
Cc1cc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)ccc1C#N	766489532	FBNZMTWCDQFDHO-OVCLIPMQSA-N	409.923	6.042	30	20	HKED	
Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	767762036	IXRQVJQBBCLHOV-CTNGQTDRSA-N	422.598	5.522	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	772245668	MVANMXBIICUGRH-SFHVURJKSA-N	421.566	5.032	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1	774022220	JPHVEIZTQUKUQN-UHFFFAOYSA-N	403.404	5.019	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2ccc3ccccc3c2)cc1Cl	776076398	GCXHDTHSQGFOMB-FQEVSTJZSA-N	420.896	5.172	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)cs1	780150604	MJCCCYCKICRVBX-AWEZNQCLSA-N	409.536	5.287	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c2c1	780179421	YRHDLYIOOCTFKG-QGZVFWFLSA-N	408.461	5.148	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1	780669340	CAHIBHYPFSZTNL-OAHLLOKOSA-N	415.415	5.317	30	20	HKED	
C#Cc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)c1	783000774	IJEDOILONLOGTM-KRWDZBQOSA-N	400.503	5.098	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1c[nH]c2ccccc12	786311392	RIMWLAXYRHUUBN-SJCJKPOMSA-N	414.292	5.316	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1	787045344	IZEWRBQADIKPSW-YADHBBJMSA-N	410.473	5.105	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cn(CCC#N)nc1-c1ccccc1	788351352	QRVXMNXZLKQICN-QXMHVHEDSA-N	404.539	5.422	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2ccc(N(C)C)cc2)CC1	789450664	OPVIFTXQBLTNBF-UHFFFAOYSA-N	405.586	6.016	30	20	HKED	
COc1ccc2oc(C(=O)/C=C/c3cnc(-c4ccccc4OC)nc3)c(C)c2c1	792882713	HZPUXPUPRANSEY-CSKARUKUSA-N	400.434	5.112	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1cc(C(F)(F)F)ccc1Br	795035053	WZVMKVLJVJVIRG-UHFFFAOYSA-N	400.223	5.148	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	796633887	QEJFLZSDEPIKOG-NRFANRHFSA-N	423.472	5.241	30	20	HKED	
COc1ccc(-c2nc(/C=C/C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1	796976644	QJQZTSJDQQMWCT-WEVVVXLNSA-N	400.843	5.276	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CO[C@H]3CCCc4ccccc43)n2)cc1	797549426	JHUVLZVVRJZQBS-REWPJTCUSA-N	402.519	5.389	30	20	HKED	
CN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H](c1ccc(Cl)cc1)C1CCCC1	798400733	CHHQHZPUUOZZKZ-JOCHJYFZSA-N	411.933	5.315	30	20	HKED	
N#Cc1c(NC(=O)c2sc3cc(Br)ccc3c2Cl)n[nH]c1C1CC1	807698953	GPLDWUWCFDAOKH-UHFFFAOYSA-N	421.707	5.042	30	20	HKED	
C[C@H](NCc1cc(C(F)(F)F)ccc1Br)c1ccc(C#N)cc1F	810153218	RCILVEZYAIOGLT-JTQLQIEISA-N	401.201	5.329	30	20	HKED	
C[C@H](N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)c(F)c1	810263840	UJKPAKGINWIWBD-JTSKRJEESA-N	411.521	5.394	30	20	HKED	
Cn1cc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)c(C(F)F)n1	812241142	DLCLRKHUSYNOBT-FLIBITNWSA-N	405.857	5.347	30	20	HKED	
O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1	816063198	FZKHKDYPUQNGAV-KGLIPLIRSA-N	421.268	5.704	30	20	HKED	
O=C(CCCc1ncc(-c2ccccc2)o1)N(O)Cc1cc(Cl)cc(Cl)c1	901380640	ZPBADNMFNVMRGS-UHFFFAOYSA-N	405.281	5.389	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1cccnc1)c1sccc1Br	915987897	MIOFNVAZWJFBNQ-BQYQJAHWSA-N	400.297	5.381	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2c(C)nn(-c3cccc(Cl)c3)c2Cl)c1	916137889	LEPJHPOFJCYTAQ-KTKRTIGZSA-N	414.292	5.342	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1	916924964	CYLCAZCLAUIOQY-MRXNPFEDSA-N	424.909	5.428	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)sc21	917024888	BPJRBXBYKHHVSA-QGZVFWFLSA-N	413.527	6.007	30	20	HKED	
COCCOc1cccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c1	917143663	MBAXIVLQKPOVGU-HEHNFIMWSA-N	415.514	5.745	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1	917751718	OSTVYOZHRJWIBB-MRXNPFEDSA-N	405.350	5.415	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(CC#N)c1	918614436	FZZHANRJNMPPAQ-UHFFFAOYSA-N	419.403	5.371	30	20	HKED	
CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CC#N)cc1	1800543630	DTPSXYBQNMVPJV-NUNAXRQHSA-N	423.601	5.001	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)n[nH]1	1814932275	ZSKGNSBEPVKQIS-QTGUNEKASA-N	422.573	5.054	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1	1828129388	KDZLHFDYDAAEFO-PGRDOPGGSA-N	422.569	5.187	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2Cl)CC1	1829862580	MVEPAZNDLOVKBO-LJQANCHMSA-N	420.981	5.159	30	20	HKED	
CC(C)c1ccc2c(c1)/C(=N/Nc1ncnc3sc(-c4ccccc4)cc13)C(O)=N2	8284979	GKWJAOMHKHRWNR-UHFFFAOYSA-N	413.506	5.900	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1cc(C)cc(C)c1	22730194	KJOUDKCTHAIHBI-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cccc(OCc2ccc(F)cc2)c1	26787722	YZEIWKVDRUZPEC-UHFFFAOYSA-N	421.497	5.071	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(CC(F)(F)F)c3C)n2)cc1	51153842	DWGUNCVPTNFCAW-QGZVFWFLSA-N	417.456	5.589	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1	55429850	VLPMPBUGYSCXLK-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
CC(C)(C)c1cc[n+](/C(C(=O)c2cccs2)=C(/S)NCc2ccccc2)cc1	108126599	XHMTUZKNUZWQAI-UHFFFAOYSA-O	409.600	5.062	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)COc2ccccc2C#N)c(C(F)(F)F)c1	109734163	IMHBFRHVOONGPJ-CYBMUJFWSA-N	408.445	5.485	30	20	HKED	
C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(CNc2ccc(Cl)c(C#N)n2)cc1	302177807	REQXMCLOMNWANN-CYBMUJFWSA-N	423.307	5.312	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1	303305072	DLFNNBIJSHZSSM-LBPRGKRZSA-N	414.328	5.434	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(SC(F)F)cc1	303321725	HVPOIWVJZCJCBW-CYBMUJFWSA-N	407.511	5.446	30	20	HKED	
N#CCSc1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	429829523	VKJMEMXQYBKIQH-UHFFFAOYSA-N	415.493	5.156	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)nc1	431851191	MHQGYOSNXRZRMP-QGZVFWFLSA-N	419.506	5.286	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21	431945705	JSCQSGCTWINCOA-BTYIYWSLSA-N	419.506	5.004	30	20	HKED	
C=CCn1c(SCc2nc(Cc3ccccc3C)no2)nnc1-c1cccc(C)c1	432362284	JYQDCWHEFPYQMS-UHFFFAOYSA-N	417.538	5.014	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	432942919	JAUCRQHZWAIMEK-KRWDZBQOSA-N	421.488	6.206	30	20	HKED	
N#Cc1csc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c1	437684086	VYJHWMRGXGPDCD-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	437912324	WLNHHJOTXXXKCK-CYFREDJKSA-N	405.542	5.764	30	20	HKED	
CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	437912327	WLNHHJOTXXXKCK-NTKDMRAZSA-N	405.542	5.764	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1Cc2ccccc2C[C@H]1C	437981404	UJNMIMLTHLUWAL-LJQANCHMSA-N	411.505	5.424	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	438645917	YJUBWPKWQPHLJU-UHFFFAOYSA-N	404.392	5.206	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@]12CCc1ccccc12	439215662	NHBPWSMHSGVZOA-SQHAQQRYSA-N	408.501	5.288	30	20	HKED	
CCc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1	439660525	JEYAFWKULCRAGU-INIZCTEOSA-N	403.457	5.491	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c2)c1	442669616	HLFGEWIHPDLWPE-FQEVSTJZSA-N	412.514	6.227	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1c(F)cc(Br)cc1F	445795956	XTUCTJYPNSJUMD-JTQLQIEISA-N	411.271	5.231	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1c(F)cc(C#N)cc1F	445811363	PPHSCQFGUHEDPY-UHFFFAOYSA-N	406.392	5.041	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CSC[C@H]1CCCCO1	460147112	CFGUIAZPKMCCJQ-HXUWFJFHSA-N	414.958	5.047	30	20	HKED	
CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	460906960	SJAKMLYTJVLSNC-GOSISDBHSA-N	417.479	5.032	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H](C4CC4)C3)cc2Cl)cc1	462257759	QRFNZJRCMOYDTR-UTKZUKDTSA-N	411.889	5.083	30	20	HKED	
C[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(Cl)c2ccccc12	463264270	YRYQTDCYMHDIHN-QMHKHESXSA-N	419.912	5.209	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3SCCc4sccc43)cc2)c1	463482775	UXZGSLDFRGSQFC-OAQYLSRUSA-N	406.532	5.168	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3)s2)nnc1-c1ccccc1C	463794769	SZKKRSZERTZFCG-UHFFFAOYSA-N	405.552	5.250	30	20	HKED	
CCSCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)no1	471828499	VVPYXOGVJQDHDY-UHFFFAOYSA-N	415.462	5.205	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	471868130	DIMUOTWDISMTJN-HXUWFJFHSA-N	415.541	5.363	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccco1)c1ccc(C#N)cc1	481390468	DBBWKSDLYSIJMH-OAHLLOKOSA-N	404.470	5.450	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482392854	DRODMKFFBLSMKG-ABKXIKBNSA-N	408.317	5.249	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2nc(C3CC3)cs2)c1	483628549	YYYARRJXEQFTAM-UHFFFAOYSA-N	409.898	5.268	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1ccc(C#N)[nH]1	487917639	PCOOSWKUTQIJPP-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c(F)cc(F)cc3F)o2)cc1	489753411	HLVWAZOTMBVWNG-NSHDSACASA-N	420.412	5.082	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2cccc(CN3CCCCCC3)c2)cc1	490639940	PXICEXVHHYYUPR-UHFFFAOYSA-N	404.558	5.185	30	20	HKED	
N#Cc1cc(C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)cnc1C(F)(F)F	499054184	IRNULJBKMYRDCT-KXPUMZMLSA-N	405.445	5.132	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc2ccccc2c1=O	501102294	VQTISRNPZXNZLF-CYBMUJFWSA-N	424.913	5.139	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1	505176717	NDUAFWJMTODDHT-UHFFFAOYSA-N	422.941	5.233	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1cccc(Cl)c1Cl	505313397	FXMALCAKZDPIAG-MRXNPFEDSA-N	402.306	5.040	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2cc(Cl)ccc2F)n(Cc2ccco2)c1C	506381699	OLJARVOSJNMJFX-UHFFFAOYSA-N	417.893	5.141	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N1CCC[C@@H]1c1cccs1	510203940	QANYGRBCMSXJRB-OXJNMPFZSA-N	419.575	5.526	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c1	510219482	DFOVZXVQPQWTGH-OAHLLOKOSA-N	405.548	5.461	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)c1	512704760	WBRCTWGLQUYKNS-UHFFFAOYSA-N	423.563	5.263	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccncc2)cs1	512959440	ZSBUISCLKGNTGF-OAHLLOKOSA-N	405.866	5.609	30	20	HKED	
COc1ccc2ccccc2c1CN(C(=O)NCC(C)(C)CCC#N)C1CCCC1	513135236	IFBGOLSQIHILDJ-UHFFFAOYSA-N	407.558	5.633	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)c(OC)c1	517923152	INEDIGWMZNQDPV-UHFFFAOYSA-N	423.431	5.247	30	20	HKED	
Cc1cc(NC(=O)CNc2ccccc2SC[C@H](C)C#N)ccc1Br	518660061	GZZJXGWHEUGVRT-CYBMUJFWSA-N	418.360	5.060	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3OCc3ccncc3)cc2)cc1	519068386	UKIQZOHQXTVJQD-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CCc3c(C)cccc32)cc1OC	520215290	XJQVLVYTNXDRIC-IBGZPJMESA-N	402.332	5.108	30	20	HKED	
N#Cc1ccc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C(F)(F)F)c1	523111282	JWROGLJEDJUQHM-HNNXBMFYSA-N	416.378	5.150	30	20	HKED	
COc1cccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	523523049	DSBVJTZOMIIXBI-SFHVURJKSA-N	417.484	5.179	30	20	HKED	
CC[C@@](C)(C#N)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	523671095	KAYYHGKTUAUZTF-FQEVSTJZSA-N	407.297	5.003	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	535223327	YWDLUYABQZREBA-OAHLLOKOSA-N	400.548	5.459	30	20	HKED	
COc1ccc([C@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1	537040619	JWLSJIWVGPRWGT-UZUQRXQVSA-N	411.571	5.015	30	20	HKED	
CSc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C	537173900	NPMIOIFCYJBRPT-UHFFFAOYSA-N	404.560	6.133	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	537998047	LLJUHKOVZORFND-QGZVFWFLSA-N	401.535	5.299	30	20	HKED	
CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	541097190	PZMWJWSUXNZCOQ-KRWDZBQOSA-N	412.493	5.091	30	20	HKED	
COCC[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	551639752	NCBZVYWEHCTTHN-WOJBJXKFSA-N	420.340	5.415	30	20	HKED	
CC1(C(=O)Nc2cccc(C(F)F)c2)CCN(c2ccc(Cl)cc2C#N)CC1	553237029	KKZYTOGGUGGDHF-UHFFFAOYSA-N	403.860	5.394	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(-c3ccco3)cs2)cc1	583314209	MHBJMVCEFRGJIU-UHFFFAOYSA-N	417.515	5.819	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1	604128086	MXICCSIPMFNXLV-QHCPKHFHSA-N	403.913	5.337	30	20	HKED	
C=CCCCCCN(C)C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21	606883266	IOLIYVFKSKSDNV-UHFFFAOYSA-N	422.594	5.186	30	20	HKED	
N#C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc(OCc2ccccc2)cc1	609028569	FUGXKKOSUPJXLI-NRFANRHFSA-N	412.823	5.192	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCc2ccccc2C1	609058567	CRQZYDHFHDHKSG-JOCHJYFZSA-N	414.505	5.140	30	20	HKED	
CCO[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1	609061102	RKOQJPYCQWSWGX-XMMPIXPASA-N	400.478	5.162	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc2ccccc2n1CC#N)C1CC1	609166951	PDMQITOKNIDFRJ-OAHLLOKOSA-N	411.427	5.549	30	20	HKED	
CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](C)c1ccccc1Br	609216171	CWGLEWQOPJFORD-INIZCTEOSA-N	424.342	5.541	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)o1	609414889	BMOFIUXMWGBKMN-FQEVSTJZSA-N	418.493	5.159	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCO[C@@H](c4ccccc4)C3)cc2)cc1	609506285	YBBFLMAYSRHBDL-RUZDIDTESA-N	412.489	5.149	30	20	HKED	
Cc1csc(C2(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)CCCC2)n1	609648072	KWUIODDTPNZHSZ-UHFFFAOYSA-N	417.534	5.102	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-c3cncnc3)cc2)cc1	609789393	QXPCDSGGZAHAEV-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1	610186310	BHFXKPGBCKFBNZ-KGVIQGDOSA-N	400.478	5.137	30	20	HKED	
Cc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610224288	VRVCMMOTHGRQHO-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2ccnc(C#N)c2)nnc1-c1ccco1	610954714	CQSBNOXWKLZWJJ-RIVXBTQJSA-N	405.527	5.094	30	20	HKED	
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccccn2)cc1	612941620	DBHJQRBUMJESRR-QFIPXVFZSA-N	406.489	5.548	30	20	HKED	
Cc1cc(C)cc(-n2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2C)c1	679092954	WACFNBROFBRYEQ-KRWDZBQOSA-N	404.470	5.036	30	20	HKED	
Fc1cc(Br)cnc1NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	681377480	JCKWKGXELQHWGM-RNFRBKRXSA-N	409.143	5.305	30	20	HKED	
CCSc1cccc(F)c1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	685700683	QSZXVGXIVBTKRY-RKDXNWHRSA-N	404.351	5.142	30	20	HKED	
FC(F)(F)COc1ccc(NN=Cc2csc(COc3ccccc3)n2)cc1	727258121	UQFJRHJLSWWYCC-UHFFFAOYSA-N	407.417	5.109	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	728062063	IJMZKDMZIPBZAU-KRWDZBQOSA-N	417.534	5.298	30	20	HKED	
Cc1csc(SCc2c(C(=O)Nc3ccc(F)c(C#N)c3)oc3ccccc23)n1	728180308	PHJMYCDITYLQRH-UHFFFAOYSA-N	423.494	5.753	30	20	HKED	
N#CCOc1cccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)c1	730151573	MUMQOHBVNWSXNG-PDGQHHTCSA-N	419.893	5.703	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccncc1	734360792	MAZHFCQYXOZMKU-JOCHJYFZSA-N	414.534	5.069	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	735746428	ZCXVKFNBVAEVDF-YVEFUNNKSA-N	424.353	5.243	30	20	HKED	
O=C(/C=C\c1cnc2ccc(Br)cn12)c1ccc(SCC(F)F)cc1	741847972	UAMYOMXAERRQMV-DAXSKMNVSA-N	423.282	5.350	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2cccc(C)c2C)c1=S	743390021	ZDSWYHJOXJWYII-JOCHJYFZSA-N	419.598	5.464	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3csc(C)n3)c2)cc1	744032597	HKURRUDVUIGVMJ-VFNWGFHPSA-N	417.534	5.593	30	20	HKED	
Cc1c(C(=O)NC2CCN(c3ccccc3C#N)CC2)oc2c1ccc1ccccc12	747336718	UFPGZHSXJBUEHG-UHFFFAOYSA-N	409.489	5.165	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)OCc2csc(-c3ccsc3)n2)cc1OC	750336900	OLNMBHZHPGIOAC-ALCCZGGFSA-N	413.520	5.202	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Br)c1	751084316	OCJFFYDLOJCEAY-FQEVSTJZSA-N	421.294	5.365	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1C#N	752204969	WZPXLDRWAZIDLX-HNNXBMFYSA-N	417.465	5.031	30	20	HKED	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccccc1Sc1ccccc1C#N	752274167	JNLPVZABPFPQKM-YJBOKZPZSA-N	408.548	5.013	30	20	HKED	
COc1cc(C=NOCc2csc(CCc3ccccc3)n2)cc(Cl)c1OC	753173183	WNGZWRKVTGRDNG-UHFFFAOYSA-N	416.930	5.150	30	20	HKED	
Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1coc(-c2ccccc2)n1	755525310	PSNMFKNLKRGHJV-UHFFFAOYSA-N	416.293	5.078	30	20	HKED	
C[C@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@@H](c2ccsc2)O1	759754172	FGEYPPPPMPNAKT-YWZLYKJASA-N	423.563	5.020	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN(C)Cc2nc3ccccc3s2)c1=S	764861905	SQMJLSBMDYFRLG-UHFFFAOYSA-N	421.595	5.275	30	20	HKED	
CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)c2sccc2C#N)cc1	766596390	WKDYUHWTSQFITN-UHFFFAOYSA-N	412.518	5.081	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Br)cc1	766621994	CBZLPZYEICJMKS-LIRRHRJNSA-N	421.294	5.053	30	20	HKED	
C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)c1cccc(OCc2ccccc2)c1	766966124	SNKJUICOWKKKFX-LJQANCHMSA-N	401.462	5.015	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	771964789	UQMOSMGDIJFIKY-QGZVFWFLSA-N	416.365	5.695	30	20	HKED	
Cc1cncc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	772555364	WVAQUPAOGBKIAW-ASKPUQFJSA-N	414.317	5.710	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cs1	775486499	CGKAZGUIVXGNRM-IFMALSPDSA-N	402.523	5.476	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)ccc21	776733521	LMQGOGPKNBILBR-UHFFFAOYSA-N	423.538	5.048	30	20	HKED	
C[C@H](OC(=O)c1cccc(F)c1C#N)C(=O)N1c2ccccc2Sc2ccccc21	778368871	DDFFANDEAHPWPE-AWEZNQCLSA-N	418.449	5.072	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	780169997	WEXOTZOYTUSTIW-OAHLLOKOSA-N	417.852	5.547	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1Cl)c1ccccc1	780927624	JHOLUNIOZWTCQR-IVZQSRNASA-N	405.885	5.057	30	20	HKED	
Cc1nc(COc2cccc(C(=O)N3CCCSC3=Nc3ccccc3)c2)cs1	783458690	DDPCPGDGAVNNRB-UHFFFAOYSA-N	423.563	5.297	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c[nH]c2ccccc12	786378358	WSXACYXNRWNUKX-HIFRSBDPSA-N	421.472	5.940	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1	787054377	UTNQRSYSTSSVMW-YVEFUNNKSA-N	421.349	5.224	30	20	HKED	
CCCOc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(OC2CCCC2)c1	792547368	LSXNDXSPJQVHBW-QGZVFWFLSA-N	408.498	5.340	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cn1	792883182	KMIGBSGYTSQVQA-MHWRWJLKSA-N	424.472	5.679	30	20	HKED	
CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc21	793548581	FVTMWHTVIYHOIT-UHFFFAOYSA-N	419.525	5.280	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	793665670	VCRZOLCGTROSSG-QGZVFWFLSA-N	421.541	5.003	30	20	HKED	
C=CC[C@H](OC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc(Cl)c(Cl)c1	797566584	NVGNRAHCSJMJCV-SFHVURJKSA-N	407.297	5.032	30	20	HKED	
N#C[C@@H](C(=O)/C=C/Sc1cc(F)ccc1F)C(=O)Nc1cccc2ccccc12	797942616	HKVFEJQGFADKFR-DVQDXYAYSA-N	408.429	5.071	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	800155523	NIMNRNOWYXAFSI-UHFFFAOYSA-N	400.906	6.058	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	801644643	FPRULALNKIOXRC-XOBRGWDASA-N	421.394	5.099	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1	806400897	LFFKJQNIYAYTRW-WBVHZDCISA-N	417.431	5.408	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC	809618559	JOBMBTCJESWTQS-BEFAXECRSA-N	406.448	5.288	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H](F)C(F)(F)F	810206341	JZQMVLUCORSDIZ-CQSZACIVSA-N	422.300	5.105	30	20	HKED	
CC(=NNc1cccc(F)n1)c1sc(-c2ccccc2Br)nc1C	814929852	QGCMBTLVHMNGCE-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1SCc1ccccc1	883969411	JOKCYLXCWXTPEF-UHFFFAOYSA-N	418.566	5.277	30	20	HKED	
CC(=NOCc1coc(-c2cccc(Cl)c2)n1)c1ccc(NC(=O)C2CC2)cc1	914572415	WGKQJPSDJIANIE-UHFFFAOYSA-N	409.873	5.284	30	20	HKED	
CSc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-]	915088607	SWYLWYZZSIEINM-LJQANCHMSA-N	403.463	5.224	30	20	HKED	
Cc1c(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)oc2c1C(=O)CCC2	915454188	AMYBEQNODNTPMN-UHFFFAOYSA-N	413.473	5.164	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccnc2)ccc1OCc1cccc(C(F)(F)F)c1	916137285	RODOKIXGPOHAQO-VQHVLOKHSA-N	413.395	5.584	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Cl)cc2)cs1	916247000	SZEPWDPCBDOOMQ-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
COc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC	916627840	ADKYGJPOLHYHJV-UWLCPZNKSA-N	424.909	5.370	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)CSc2cccc3cccc(Cl)c23)c1	916896604	LZYRIRIUDYRGEJ-QGZVFWFLSA-N	408.910	5.241	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccccc1F)c1nc2cc(C(F)(F)F)ccc2s1	917044814	VIEUURAMGNOWSZ-GFCCVEGCSA-N	424.444	5.813	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2ccccc2)o1	917536033	OZPNAFGTQWILLM-UHFFFAOYSA-N	411.486	5.576	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c[nH]c3cc(F)ccc23)c1	917542098	ZWDMMBQOLLHEJY-UHFFFAOYSA-N	423.517	5.080	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	919858473	KGBLCJHDUSJOHQ-UHFFFAOYSA-N	421.909	5.460	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(-c4ccccc4)cc3)n2)cc1	920143574	RNLFVTVCXKVKTK-QHCPKHFHSA-N	424.525	5.905	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C)c4)CCC3)cc2)C1	1785804584	MYVZJSMFOVOHBE-UHFFFAOYSA-N	402.538	5.028	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCCO3)cc2)CCC1	1786643946	KBXYKNIDKOELIA-NRFANRHFSA-N	412.574	5.072	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1	1786679820	VIXDRSXZGPHMKK-UHFFFAOYSA-N	412.599	5.010	30	20	HKED	
N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C4CCCCC4)cc3)CCC2)c1	1787627416	RXEKSXVMMPKNAH-UHFFFAOYSA-N	419.500	5.025	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cccc(C#N)c4)[nH]c(=O)c23)cc1	14179067	AWZZHMVVUNHCIO-ZDLGFXPLSA-N	403.894	5.569	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccoc1C	21668484	DNGSSGJBARJJFX-INIZCTEOSA-N	410.543	5.275	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCC3	22572710	SJQVJNQNXKOZPS-UHFFFAOYSA-N	421.547	5.080	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(OC)cc1	23554268	DMXIFDMAQXWPKF-CQSZACIVSA-N	413.930	5.157	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c1=S	27498847	PQOUXRJOVUDVOE-MRXNPFEDSA-N	423.567	5.264	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1	72066924	JBFHQAVVHVDLBC-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
N#Cc1nc(N2CCC[C@H]2c2ccc(Br)s2)ccc1C(F)(F)F	409722060	VBCPRIGZOAEHKL-NSHDSACASA-N	402.239	5.138	30	20	HKED	
N#CCCn1ncc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1-c1ccccc1	428913332	SRGWOBOVWGMXIQ-UHFFFAOYSA-N	414.484	5.075	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1	429936874	AXLNQUXMZSTSKE-UHFFFAOYSA-N	401.516	5.831	30	20	HKED	
COc1cc(C[S@@](=O)Cc2ccc(C)c(C)c2)ccc1OCc1cccc(C#N)c1	431554866	FHBAEBLCRWZNFW-PMERELPUSA-N	419.546	5.212	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1cnc2ccccc2n1	433209916	TYNOGWCAVGEDGX-NRFANRHFSA-N	402.457	5.123	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](CC(F)(F)F)C3)cc2F)c1	434143874	JPJPRVKAXDJMLP-MRXNPFEDSA-N	421.394	5.083	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cc3ccccc3[nH]2)cc1	434357020	ITQQIJHAKJOSMX-UHFFFAOYSA-N	411.530	5.304	30	20	HKED	
O=C(NC1CCC(F)(F)CC1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436346268	WNNQRTZBFVWFET-ZDUSSCGKSA-N	418.328	5.576	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437485214	LEPMKHIKPUCMMA-UHFFFAOYSA-N	423.425	5.372	30	20	HKED	
COC[C@H](C)Nc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	437620077	YRPUVCSPPPIYSK-KRWDZBQOSA-N	400.482	5.001	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2o1	438053642	WEPKUKXKOZTMCT-QUCCMNQESA-N	402.498	5.429	30	20	HKED	
CCCc1c(NC(=O)Nc2ccccc2C(F)(F)F)cnn1-c1cccc(C#N)c1	438912330	ONIANJCATUTCGU-UHFFFAOYSA-N	413.403	5.359	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)o2)c1	439948982	HPCSTSFFEISWLZ-LJQANCHMSA-N	412.415	5.354	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1nccn1C(F)F)c1ccc(C(F)(F)F)cc1	441531070	HMVDRKXOYUEYGP-HNNXBMFYSA-N	416.394	5.146	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccc(Cl)cc1	442751047	KHFYKMTZPGKLOB-MRXNPFEDSA-N	404.684	5.637	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccc2S1	446429981	RDIJNBCBHJVIQI-UHFFFAOYSA-N	401.491	5.277	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1	446625259	QYFKLFNRLLKSSN-AVRDEDQJSA-N	423.582	5.113	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1ccc(C#N)cc1F	448112306	CVWNBBTZSQKQSG-PDGQHHTCSA-N	413.477	5.389	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1cccs1	460584383	NDVYXCFKZXTQPG-LJQANCHMSA-N	401.539	5.472	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc(C#N)c1	463396803	MXGWLSRLYBBEGQ-ULQDDVLXSA-N	423.944	5.357	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c2)cs1	464082115	NONOPZODWGOVHG-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c12	464957376	YMUPPPBEKKEXNF-FPOVZHCZSA-N	414.509	5.136	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccccc1CCC(F)(F)F	465261625	ZSNDTQVJZJZRAS-AWEZNQCLSA-N	407.461	6.220	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)cs2)cc1	468112538	YCRZDFJNMBBUEB-REWPJTCUSA-N	409.555	5.001	30	20	HKED	
COc1cccc(F)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	468892522	IINOWGWIMNEDIL-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
CCSCc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)no1	471757072	JSHDVRZZAYUIOL-GOSISDBHSA-N	411.914	5.489	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1ccc(Cl)cc1)c1ccccn1	475933892	PSCFTEIBRZCPOV-PXDATVDWSA-N	417.940	5.760	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCCN1CCN(c2ccccc2)CC1	476086133	OFYIFHTVWCWADH-UHFFFAOYSA-N	405.586	5.079	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	477713517	UQUCXXDFXXRFBC-UHFFFAOYSA-N	424.504	5.912	30	20	HKED	
CCc1nn(C)c(CC)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	478707097	WDRMRFIAGMFASF-FQEVSTJZSA-N	420.944	5.035	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1cccs1	481391089	NUMRPIHYSYIZSJ-CQSZACIVSA-N	409.540	5.020	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC4(CCOCC4)c4ccccc43)c2)cc1	481441179	VGGGIQMXJBACDR-UHFFFAOYSA-N	410.473	5.059	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F	482881686	PDFCBPJMAKIAJT-UHFFFAOYSA-N	424.516	5.052	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483215653	IISXWLYTAFATOL-GOSISDBHSA-N	409.445	5.311	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483219270	JVFLFMGQOXSECX-QGZVFWFLSA-N	412.518	5.211	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)CSc1ccc(C#N)cc1	483493924	HVNVDSIONMKFDC-UHFFFAOYSA-N	422.481	5.016	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	483689953	FQSCVMMHRBWZOF-UHFFFAOYSA-N	419.437	5.107	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	485753463	VASSULIVGGKNRT-NRFANRHFSA-N	417.534	5.155	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)C1	489919694	RWBAHPKVQWNQII-UHFFFAOYSA-N	410.945	5.729	30	20	HKED	
C=CCN(C(=O)c1ccc(Cl)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	502930273	ZHMSKHMDCXKTPI-UHFFFAOYSA-N	413.713	6.196	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1	503223041	CKEFZXLWSMMMOC-LJQANCHMSA-N	422.598	5.067	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1	504793398	KVQOSATUXWMCRT-IBGZPJMESA-N	407.558	5.222	30	20	HKED	
Cc1cc(F)cc([C@@]2(F)CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1	505297698	KCQSTVYRMZONSY-KSFYIVLOSA-N	415.509	5.489	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1	505331807	YNWGVCXXNLBDPU-UHFFFAOYSA-N	414.836	5.025	30	20	HKED	
N#C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cccc(Cl)c1Cl	505344790	QBZCROLNPKATOR-QGZVFWFLSA-N	423.727	5.076	30	20	HKED	
C=CCn1c(Sc2cccc(F)c2C#N)nnc1-c1ccc(Br)cc1	506836116	ATELATDEODIROD-UHFFFAOYSA-N	415.291	5.056	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCc3cc(F)ccc32)cc1	508198563	BXFFAANHGOPYHX-JOCHJYFZSA-N	402.494	5.407	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	509844493	NUWJYGZCHFVTEE-ICSRJNTNSA-N	401.432	5.055	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC(F)F	514143531	HFFVUCWCFZFHGS-UHFFFAOYSA-N	424.472	6.013	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	518013673	PESODLZPWCSSBH-KRWDZBQOSA-N	401.466	5.107	30	20	HKED	
Cc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	519184681	DAJOSNXQBMEYBI-RUZDIDTESA-N	411.505	5.449	30	20	HKED	
Cc1noc(Cl)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	520122215	YHQVPPRRZKWRMA-UHFFFAOYSA-N	416.264	5.525	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1ccc(Cl)cc1	520924104	IXEMXSQMCTZMLB-CQSZACIVSA-N	410.930	5.481	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@@H](C#N)c3ccccc3Cl)ccc21	522351748	ZIJZANCWYLKBIM-INIZCTEOSA-N	420.822	5.284	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nnc(-c2ccsc2)s1	523506864	QBRMLMWJZZYHTG-UHFFFAOYSA-N	411.430	5.103	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3ccc(CC#N)cc3)s2)cc1	523559275	OEBZGSYCVIMMNL-QGZVFWFLSA-N	404.539	5.718	30	20	HKED	
C[C@H](Oc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1)c1ccccc1	531441707	PVVIMNXGSYKWPE-WUMKDDEVSA-N	411.505	5.134	30	20	HKED	
CC(C)Cn1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C(F)F)n1	534190692	IYNQGKRMXHUTFQ-UHFFFAOYSA-N	424.451	5.587	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1	536187562	WXLGHWSWCJRCLF-KRWDZBQOSA-N	415.518	5.443	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1)O[C@H](C)C2	538072808	RJLLQHLFUDCZTH-WNYOCNMUSA-N	424.928	5.090	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc(F)ccc1F	540460315	INCYZXREPCXYJH-RDTXWAMCSA-N	403.498	5.038	30	20	HKED	
C[C@@]1(CCCO)CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	541705710	FJFMBKPSNVWDNY-QFIPXVFZSA-N	413.905	5.163	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2F)c1	542535213	INOGCXHZXDIREA-UHFFFAOYSA-N	405.816	5.054	30	20	HKED	
O=C(Nc1c(F)cccc1F)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F	542989977	GKLMHENUGPYMFK-ZDUSSCGKSA-N	414.252	5.289	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C(C)C)s1	543884698	PLTFJLGEYSGGAH-UHFFFAOYSA-N	413.934	5.210	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cnc(Cc4ccccc4)s3)cc2)ccn1	555079411	GYCPDQNBUVQRBI-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
N#CCCC[C@@H](N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1	556201752	WFXAWMOCYVRFIL-IRLDBZIGSA-N	422.370	6.333	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1nc2ccccc2cc1Br	565621983	WAMVNBYGCQFTOE-UHFFFAOYSA-N	412.312	5.255	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3cnn(-c4ccc(Cl)cc4)c3)cc2)ccn1	568893602	UOCHWJSHOPCRKB-UHFFFAOYSA-N	401.857	5.197	30	20	HKED	
CCN(Cc1ccccc1Cl)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	572652907	RTVFZWVQXXHJSU-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1	573781347	SFPVTKXOLOFEEL-SLFFLAALSA-N	412.331	5.039	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1[C@H]2CC[C@H]1c1ccccc12	577327977	OPSVZDBINOLUSU-DQEYMECFSA-N	409.489	5.869	30	20	HKED	
Cc1ccc(-c2csc3ncnc(SCC(=O)NCC(C)(C)CCC#N)c23)cc1	578791184	WEZOYIUNEOFYKC-UHFFFAOYSA-N	424.595	5.205	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	592825070	MITNTJLTEYHBIF-HOCLYGCPSA-N	405.995	5.236	30	20	HKED	
N#C[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	597791885	ZLVYHCVMMJCXRC-HXUWFJFHSA-N	410.395	5.203	30	20	HKED	
CCCOc1ccc(CN(CCC)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC	603658124	NBIPRCFTMPIIFT-UHFFFAOYSA-N	423.557	5.729	30	20	HKED	
N#CCc1ccc(NC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)cc1	603751024	ICSKWICMWXDUMU-NRFANRHFSA-N	421.294	5.274	30	20	HKED	
Cc1ccccc1COc1ccccc1C(=O)Nc1nc(C)c(SCC#N)s1	603775053	UYSFDQWMJPGKAT-UHFFFAOYSA-N	409.536	5.207	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCCc3cc(F)cc(F)c32)cc1	603962941	PLCTUXWTXAEIQK-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
CC(C)COc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	604003563	FSXFUKQGKGYQIJ-UHFFFAOYSA-N	414.505	5.619	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(COC(C)C)cc1	609061930	KYNJBSAHMGHFSS-UHFFFAOYSA-N	414.505	5.623	30	20	HKED	
CC(C)(C)c1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cs1	609064779	OICXLIFITNYCPT-UHFFFAOYSA-N	405.523	5.072	30	20	HKED	
COCCN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)c1ccccc1	609209912	VKYDASUKQFVGNV-LJQANCHMSA-N	415.493	5.592	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21	609384767	SJKDQUHGZJIRBG-IAGOWNOFSA-N	411.596	5.268	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	609384965	ZLLLMGFJPDMWFC-ROUUACIJSA-N	407.583	5.106	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1	609436250	JQIWIFDAOPVRTI-PXNSSMCTSA-N	423.582	5.313	30	20	HKED	
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)cc1	609515942	UZMPZIXPCGNBNJ-DEOSSOPVSA-N	404.554	5.769	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	609683364	RMEXWIFNQHECFU-XMSQKQJNSA-N	424.504	5.220	30	20	HKED	
Cc1cc(Cl)ccc1Oc1ccc(CS(=O)(=O)Cc2ccc(C#N)cc2)cc1	609711253	ZFLPRZDIENYFOB-UHFFFAOYSA-N	411.910	5.427	30	20	HKED	
N#CCCn1ccc(NC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1	609789402	RXQQFDDPXLFRCM-LJQANCHMSA-N	414.893	5.061	30	20	HKED	
Cc1c(C#N)c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nc2c1CCC2	610167420	QXMOJPZZPMUPGO-CYBMUJFWSA-N	410.930	5.231	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1	610320931	LBPVNXVVUINYFU-QGZVFWFLSA-N	413.481	5.393	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(-c4cccnc4)cc3)cn2)c1	610321324	QARCMDPDNYKJGB-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1cccc(C#N)c1	610321895	OLJRNDUDRUHHPS-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C)nn1	611244729	UZBZCOJEBHRANZ-UHFFFAOYSA-N	412.371	5.029	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c(C#N)c1C	613640239	SMNOBJUFCGDSMP-UHFFFAOYSA-N	416.808	5.029	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Br)cc1C(F)(F)F	616353989	JUEVNYYTRWOAMV-SNVBAGLBSA-N	401.201	5.329	30	20	HKED	
CN(c1ccccc1)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cn1	679369336	UKDMWIMQCGOTGJ-QGZVFWFLSA-N	402.454	5.088	30	20	HKED	
N#CCOc1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1	727678813	HWUFYPPCQNDSCA-UHFFFAOYSA-N	410.395	5.205	30	20	HKED	
Cc1ccc2c(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc(=O)oc2c1	728298613	GWNGQZRARNTNGC-UHFFFAOYSA-N	414.436	5.303	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1	728694630	DRDYBDVGTOWOHG-SZHLLGMXSA-N	410.498	6.011	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C\c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1	728697325	NVMWQKVEOODDLM-XYRDXQRHSA-N	423.266	5.157	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@H](c1ccccc1)C(C)C	728766721	HPLGXNFCVBISHP-ZWKOTPCHSA-N	412.917	5.134	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	730072635	ZDJRSGLANMWWHI-XMMPIXPASA-N	406.485	5.541	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1	730686888	RPRVFRAMDIHBMN-KXBFYZLASA-N	417.317	5.755	30	20	HKED	
CC(C)COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	730923966	JSSDULTVBRSPJD-GOSISDBHSA-N	410.514	5.624	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2n1	732594031	YJMOJDWSRRXWHF-SDHOMARFSA-N	418.496	5.794	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCc2ccccc2C1)c1nc2cc(C(F)(F)F)ccc2s1	732596001	GSNDHTGTVWEBDR-CXAGYDPISA-N	414.452	5.687	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)c1	733773328	ZEJKOHFPLXEHDG-QGZVFWFLSA-N	411.914	5.074	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	733943890	ZPWLNZVJCCIZEK-MDWZMJQESA-N	409.367	5.416	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc(-c2ccncc2)cs1	734083382	OMANEOLDSGDHNI-NRFANRHFSA-N	417.534	5.336	30	20	HKED	
COc1cc(/C=C2/Cc3cc(F)ccc3C2=O)cc(Br)c1OC(F)F	734305408	TXWJBOLOXCUMDK-WCIBSUBMSA-N	413.189	5.021	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc(-c2ccccc2C)s1)C(C)C)c1ccncc1	734682903	HDOBHBVIWDUWFD-HSZRJFAPSA-N	419.594	6.356	30	20	HKED	
CC(C)(CCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)NC(=O)OC(C)(C)C	737516928	FAKBERLZHONPME-UHFFFAOYSA-N	423.513	5.373	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3sccc3Br)c2)s1	739591084	QRHKXVDAUYPARA-UHFFFAOYSA-N	403.326	5.041	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C/c3cnc4ccc(Br)cn34)oc12	740765011	NLWUBSBIKWBUDS-BQYQJAHWSA-N	411.255	5.138	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(NC2CCCCC2)sc1=S	746055664	ABSRAWYJCWCTJO-UHFFFAOYSA-N	415.632	5.406	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1	747194141	UVJNMWRKGJGDHH-IIBYNOLFSA-N	410.539	6.115	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1C#N	752154494	QJWUMZPUZQKBIF-UHFFFAOYSA-N	424.791	5.025	30	20	HKED	
Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCCCCC#N)c12	752628167	YIRCSMFIHTUJCZ-UHFFFAOYSA-N	416.506	5.308	30	20	HKED	
Cc1cc(CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)s1	753392441	BJCQKFVVOATQFR-QGZVFWFLSA-N	422.522	5.350	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H]2c2ccc(C)c(C)c2)c1=S	764913679	FSIZPZBKQOOMBL-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
COCCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	768621056	BZMBPISTYNISSY-SJORKVTESA-N	406.448	5.206	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl	768995287	JDINNRUFWGRYQR-QGZVFWFLSA-N	420.344	5.395	30	20	HKED	
CN(CCC#N)c1ccc(CNc2cccc(C[S@](=O)C3CCCCC3)c2)cc1	770581512	MSSZNPJMQGPDOD-LJAQVGFWSA-N	409.599	5.230	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)OC[C@@H](C#N)Cc3cccs3)ccc21	772743129	QQMWJVKVPSZJCZ-CYBMUJFWSA-N	421.444	5.237	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(Cl)c(Cl)c2)ccc1OC	772978857	IAUQTDSAQDYYKN-QFBILLFUSA-N	407.341	5.924	30	20	HKED	
C#CCCCCC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	773302225	LXDWYYGFWQJKEO-CYBMUJFWSA-N	405.361	5.252	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)ccc1OC	774450945	WJXVYAMLUJKGRS-VGSWGCGISA-N	419.352	5.924	30	20	HKED	
COc1cc([C@H](C)NCc2cc(Cl)ccc2OCC#N)ccc1OC1CCCC1	775017162	GMWQZFIBDQLSCZ-INIZCTEOSA-N	414.933	5.423	30	20	HKED	
C=C(C)[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(F)c(F)c1	775557744	JSEUSOMQQVXOCT-QRQCRPRQSA-N	406.904	5.423	30	20	HKED	
COc1cccc2[nH]cc(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12	778256194	IJRYAXUAERBXPR-QFIPXVFZSA-N	424.504	5.196	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F	781459855	BLIVHPYIEGNRPN-JLTOFOAXSA-N	413.399	5.556	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cccc(Cl)c2o1	783077550	TWVBURJFHKEMIN-NSHDSACASA-N	407.640	5.354	30	20	HKED	
N#C[C@H](C(=O)CCCCC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl	783353659	YFDFSMKJJGHVHO-MRXNPFEDSA-N	417.292	5.084	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1	787434758	UPMXSJFPOCGQOZ-AWEZNQCLSA-N	405.420	5.096	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc(Br)c1)c1nccc2ccccc12	792094687	PJGKBJNBTHTIQL-LJQANCHMSA-N	409.283	5.033	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc(C[C@@H](CC#N)c2ccccc2)n1	795765453	FVCIKWUYLGMLQS-MOPGFXCFSA-N	410.518	5.162	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1csc(-c2c(F)cccc2F)n1	796777082	ZKVCAIJUWBUNKJ-GFCCVEGCSA-N	423.444	5.384	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1ccncn1)c1csc(-c2c(Cl)cccc2Cl)n1	797316500	ZSAUSBIKHHUDCM-NSHDSACASA-N	417.321	5.061	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc2cc(F)ccc12	805855960	PXRNESIXPWFOQO-ZDUSSCGKSA-N	404.825	5.103	30	20	HKED	
C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(OCC#N)cc1	808705384	FTTMPCIOEOIGSR-SPLOXXLWSA-N	424.342	5.561	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccccc1Cl	809910805	CCEHGJHJKNNLOG-KRWDZBQOSA-N	400.313	5.174	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c(F)cccc1F	916272611	DXOGMJQQGFUVFH-UHFFFAOYSA-N	415.852	5.247	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2ccc(Cl)cc2)n1	916341843	LTTGYDYGVIOAMG-UHFFFAOYSA-N	411.943	5.201	30	20	HKED	
C[C@@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	916919377	WXDZTTKHSQUUET-RHSMWYFYSA-N	408.910	5.321	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(F)c(Cl)c3)n2)cc1	916974956	SMFWEKOPPZLPAX-HNNXBMFYSA-N	400.862	5.166	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2o1	917510066	KVPOPJMOZUQTJN-PXUDHTSWSA-N	404.878	6.099	30	20	HKED	
COc1ccc(Cl)cc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl	917538732	NJSUBERRXSAJSA-UHFFFAOYSA-N	413.717	5.085	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1csc(-c2ccsc2)n1)C(=O)c1ccccc1	920066181	UTOJMSXQEJFCSA-YBFXNURJSA-N	417.515	5.172	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	920108274	RSKPBNCFNAHNOS-SJKOYZFVSA-N	408.807	5.200	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806848	RHDURKZTBXIRTP-DZGCQCFKSA-N	414.502	5.586	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)C1	1823697553	AYCLDSBUPLIAHZ-JWQCQUIFSA-N	422.613	5.012	30	20	HKED	
C=CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1	4365637	PGZAKYYPSVEHBA-PDGQHHTCSA-N	414.914	5.020	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN2CCc3sccc3[C@@H]2C)c1=S	8187242	CSVFUXKDEAHOOC-AWEZNQCLSA-N	400.548	5.044	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)cc1	10173184	KRSBTTWOZOMLAH-UHFFFAOYSA-O	419.570	5.337	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48125760	NNINJCMIYHLCII-MRXNPFEDSA-N	416.456	5.175	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)o1	55869689	NSCUOZSFWYADQZ-GOSISDBHSA-N	414.383	5.154	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	58272470	QMKMHDWWROYSSW-UHFFFAOYSA-N	405.445	5.046	30	20	HKED	
CCOc1cccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	60183370	NPEVDNZTXDLGCO-KRWDZBQOSA-N	402.519	5.599	30	20	HKED	
C=CCN(Cc1csc(-c2ccc(OCC)c(OC)c2)n1)Cc1cccs1	60942755	ROCQMYVXTCIETK-UHFFFAOYSA-N	400.569	5.467	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C#N)Cc1ccc(C)cc1	302106735	FHOSKEOHZSPHJM-FQEVSTJZSA-N	424.957	5.232	30	20	HKED	
N#Cc1c(F)cccc1Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1	303192965	ZPDMCSVJRKJFOD-UHFFFAOYSA-N	404.445	5.294	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1	303673045	DVGSJSRTPFOJPC-UHFFFAOYSA-N	408.910	5.521	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F	303919406	SQJFJCALRUUVFS-CTNGQTDRSA-N	404.416	5.679	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)NCc1ccc(F)cc1C(F)(F)F	410145821	PHUCYMAJXKSGPY-UHFFFAOYSA-N	412.280	5.002	30	20	HKED	
Fc1ccc2nc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)sc2c1	428554645	SJPUKHASUYXUQY-AWEZNQCLSA-N	422.369	6.238	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc(SCC#N)c1)C1CC1	429939621	HJWSOADGSVQWDB-AWEZNQCLSA-N	404.457	5.687	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc2s1	430613512	WBCDFXWSKCIFHO-NSHDSACASA-N	418.613	5.448	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1	432006808	KXGWHHOCCDHGDB-GOSISDBHSA-N	414.303	5.007	30	20	HKED	
C[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccc(Cl)cc1	438058009	WJGGZTOLVLXTKA-HUUCEWRRSA-N	403.935	5.323	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccccc2F)C2CC2)cnn1-c1cccc(C#N)c1	439674069	OQFZSBXISVCVNA-UHFFFAOYSA-N	417.488	5.032	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1	444387792	INLRQBISOMPXEZ-GFCCVEGCSA-N	422.710	5.661	30	20	HKED	
COc1cc(C#N)ccc1CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444741153	XIBFWTWCPQLOLM-INIZCTEOSA-N	402.338	5.369	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc2c1OCC2)c1nc(-c2c(F)cccc2F)cs1	463064639	OYQBVQYCHRNOIL-ZDUSSCGKSA-N	416.836	5.167	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Br)c1C	463109520	YTJJUBLYYWDTIE-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC(C(F)(F)F)(C(F)(F)F)C1	463686526	FFEOVLGGNUDEQQ-UHFFFAOYSA-N	420.328	5.208	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	464052754	RNLZEEJPRDNVEO-BJKOFHAPSA-N	414.505	5.447	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(C)cc1	464422676	AFEWHLGENXQIRT-KRWDZBQOSA-N	412.415	5.037	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)c2ccc(Br)cn2)cc1	465452139	LAZHBGKYKYHSKG-UHFFFAOYSA-N	422.282	5.093	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	468192336	OVRHUHHOBGYTPK-UWVGGRQHSA-N	423.284	5.207	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1ccc(O)c(F)c1	468899845	JYNIWOWLRGJCEN-UHFFFAOYSA-N	418.468	5.252	30	20	HKED	
CCc1nnc([C@H](C)SCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)o1	469076886	VCINBDWPRZYVJK-HNNXBMFYSA-N	409.511	5.086	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2cc(-c3nc(C)co3)ccc2C)c1	469877596	BASBIAZUZHSTGK-HXUWFJFHSA-N	416.525	5.323	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c1	475081725	PLKFEXZQYRKKOP-UHFFFAOYSA-N	420.444	5.376	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1	475565610	DUXVWDYNAOHHQB-UHFFFAOYSA-N	414.496	5.644	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1coc2cc(F)ccc12	475759908	COEVAFHJQGRYDW-UHFFFAOYSA-N	408.376	5.849	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)C[C@@H](CC#N)c2ccccc2)cc1	475898239	HSZAKRVUKZVKAJ-SHQCIBLASA-N	411.549	5.669	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	477953357	DELNRBMNKZUORJ-ICSRJNTNSA-N	412.331	5.315	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2C(F)(F)F)c1	483208084	YEUOVGSDCNJWDK-SFHVURJKSA-N	420.394	5.238	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)c1	483612601	HJWPSTSOIPVKBV-HSZRJFAPSA-N	421.928	5.943	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C	485176136	LOYOQBMEHFPUFS-UHFFFAOYSA-N	401.942	5.443	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1	487181836	ADCFJLWTZVPINR-QGZVFWFLSA-N	401.491	5.721	30	20	HKED	
CC[C@H](c1ccc(F)cc1F)S(=O)(=O)Cc1cc(F)c(C(F)(F)F)cc1F	488866663	WLTZILFBIAZSDC-MRXNPFEDSA-N	414.342	5.328	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cccc(F)c1C#N	490223341	NUCKLGAAXJWUSC-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
CCN(CCC#N)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	492128264	RWCJXLGBFNLLFN-UHFFFAOYSA-N	423.416	5.141	30	20	HKED	
CCCC[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1cc(C)on1	495642229	XPUIVCDPKDKELF-NRFANRHFSA-N	404.470	5.256	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1	500112499	OALLUWGPJNPCBB-FDDCHVKYSA-N	400.482	5.279	30	20	HKED	
N#CC1(F)CCN(C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1	501881474	KWLLPPYLSKCIHK-GOSISDBHSA-N	406.288	5.120	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(COCC3CC3)c2)c1	502520355	ASBNEJPGENSCEL-UHFFFAOYSA-N	412.489	5.316	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)c2)cc1	504167497	SVJJWMBWGIYKTI-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510004918	KYZYIPOQAGCUGB-MGPUTAFESA-N	421.953	6.208	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1	510491764	PFUOOZWPOUGMGK-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3sccc3Cl)cc2Cl)c1	510828098	UCLDDFZNXPTYKR-UHFFFAOYSA-N	403.290	5.758	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2sccc2C#N)c2cccs2)cc1	511951250	DFMHHGNVJXXWSN-KUHUBIRLSA-N	423.563	5.039	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	512201213	HMVQIASXWZYNSO-CQSZACIVSA-N	421.324	5.873	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	512331201	ZMVGLRXQNBAGCX-UHFFFAOYSA-N	413.924	5.004	30	20	HKED	
COc1ccc(C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)c2ccc(OC)cc2)cc1	512613333	RRTQELOUPCCGRF-CRICUBBOSA-N	404.485	5.349	30	20	HKED	
CCn1c([C@@H]2CCCN2Cc2ccc(OC)c(OCCCC#N)c2)nc2ccccc21	512614733	SHHIZDWKEGTKAZ-QFIPXVFZSA-N	418.541	5.084	30	20	HKED	
Cc1cccc([C@@H]2CCCCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1	512743857	JNQUQOJEDSOYCR-DEOSSOPVSA-N	419.544	5.366	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)sc2c1CCCC2	512956928	IGNIXRNEPUMJMT-UHFFFAOYSA-N	419.984	5.518	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2COc2ccccc2)o1	516141486	ZVOAZRAGQPUGRC-UHFFFAOYSA-N	424.456	5.562	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1	516713658	FCDRFZRPCCTCAE-QFIPXVFZSA-N	421.481	5.964	30	20	HKED	
CCc1ccsc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	517793085	HKDNUIZJYQTNFS-ZDUSSCGKSA-N	407.347	6.231	30	20	HKED	
CCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	521156290	YWOWUBWCSBJVII-GOSISDBHSA-N	410.461	5.129	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2c3ccccc3C[C@H]2C)cc1OC	521377243	BIBGZBYROAGOQK-VLIAUNLRSA-N	402.332	5.046	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3cccc(O)c3)CC3CC3)c2)cc1	522844693	HBJAHJKWTQRIAK-UHFFFAOYSA-N	413.477	5.500	30	20	HKED	
Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	523421659	LIVIHUSNESNZNJ-SPLOXXLWSA-N	422.916	5.353	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)c2C#N)C1	525796356	CWFNFRUMLRERIM-LBPRGKRZSA-N	413.518	5.121	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4c([nH]c5ccccc45)C3)cc2)c1	534732899	NDNQSYDDXOSJOL-UHFFFAOYSA-N	408.461	5.422	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](CCCCc3ccccc3)c3ccccc3)o2)c1	537122102	BHHQAITZYUOKPX-RUZDIDTESA-N	422.532	5.852	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4ccc(F)cc4)n3)n2)cc1	537478412	RVPOWVQSUWFUGT-IBGZPJMESA-N	416.481	5.242	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(C#N)c(Cl)c1	538073739	JVRFEOPSAFHJMI-UHFFFAOYSA-N	421.859	5.270	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	542955312	ZZLSWRRTLSGGNG-KRWDZBQOSA-N	405.424	5.066	30	20	HKED	
COc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	542986150	MUTGBQDJEFVEAY-MRXNPFEDSA-N	401.466	5.125	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Br)c2Cl)cc1	549060741	XAXVJBIOZTYVJK-UHFFFAOYSA-N	423.698	5.054	30	20	HKED	
N#Cc1cc(C(=O)Nc2cccc(COC3CCCCC3)c2)cnc1C(F)(F)F	555536982	ICEJDXNAPMYLBO-UHFFFAOYSA-N	403.404	5.074	30	20	HKED	
O[C@H](CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1	559186543	RPYLJXCEDUGBEI-IRXDYDNUSA-N	409.345	5.031	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cncc(Cl)c1Br	564169525	GBQVEZMBGVOPNA-UHFFFAOYSA-N	412.674	5.288	30	20	HKED	
COc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(CN[C@H](C)c2cccc(C#N)c2)c1	590114946	TUDCHEIVQOBRQI-WOJBJXKFSA-N	424.548	5.140	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1	602226437	IEAGBRBCPLKYQU-UHFFFAOYSA-N	409.514	5.376	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cn2)c1	603623022	CFZLARHTIOYNHE-UHFFFAOYSA-N	418.503	5.112	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OC2CCCCC2)c1)c1nc(-c2ccncc2)cs1	606752776	CUJBPUJYGQTVEE-FQEVSTJZSA-N	403.507	5.407	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccn1Cc1ccccc1	608876641	QMSANMCSQLAIPP-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2Cl)c1	609062508	AADLHQFQRGTUNW-UHFFFAOYSA-N	402.881	5.461	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3F)CC2)c1	609205176	HSPJIZWNWRGPIS-UHFFFAOYSA-N	415.468	5.440	30	20	HKED	
CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nccs1	610026910	OKZUUEBGHDQITI-HXUWFJFHSA-N	408.502	5.017	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610319835	LIGZRDCRXLWTRA-AOMKIAJQSA-N	416.456	5.500	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1	610356942	CUWQSGHFFMAXGM-XDHUDOTRSA-N	417.484	5.050	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3cccc(Cl)c3)cn2)cc1	610666059	NEGZJEGAJFCXQW-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(C#N)c(Cl)c3)c2)cc1	619788015	WNEBCTABVYRAOD-UHFFFAOYSA-N	402.841	5.197	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccc(F)cc2s1)c1nc(-c2c(F)cccc2F)cs1	620304397	XPQIUMLRSGTCJO-GFCCVEGCSA-N	414.433	5.932	30	20	HKED	
O=C(Nc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642389940	DTHJBAXMZAFGOK-UWVGGRQHSA-N	422.291	5.736	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccc2ccccc2n1	677377708	SGJTUBCWTDQNHO-OAHLLOKOSA-N	419.200	5.506	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)cs1	726321137	BALIZFBYVXVPIK-HNNXBMFYSA-N	401.318	5.926	30	20	HKED	
C=CCc1ccc(OCC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c(OC)c1	728033932	KGAIEGDFYJPSOA-LJQANCHMSA-N	419.443	5.185	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(OC(F)F)cc1	728438059	NEPACWWJBTUCNU-QPJJXVBHSA-N	401.390	5.036	30	20	HKED	
N#C[C@H](C(=O)NC1CCCC1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	729891112	CBSXHFFKOOJHLF-JTQLQIEISA-N	415.729	5.243	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)/C=C\c1ccccc1C#N	730202449	MMJDQKLQURZGBJ-FWLQQBITSA-N	407.926	5.534	30	20	HKED	
CCN(C)c1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	730241751	DPNPBNLONOEUBB-UHFFFAOYSA-N	415.562	5.237	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(Br)c1)c1nc2cc(F)ccc2s1	730416816	IOHXJQXBLWCFIY-CQSZACIVSA-N	403.276	5.007	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(C)cc(C)c2)cs1	730436393	KBIANMFHTARQRE-RMKNXTFCSA-N	410.926	5.994	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccccc1	730685512	JGDGYWQYBODLPB-YADARESESA-N	412.514	5.855	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1Cl	731062430	KBXGQANSXRXOOJ-GFCCVEGCSA-N	423.321	5.041	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccsc3)n2)CCOc2c(Br)cccc21	733748907	NBAKOTDMMIJCLL-FLIBITNWSA-N	418.337	5.683	30	20	HKED	
CC[C@@H](NC(=S)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1cccs1	734371974	CENXGYNLVJVLID-LJQANCHMSA-N	407.564	6.158	30	20	HKED	
C#CCOc1ccc(C(=O)N(CCC)[C@H](c2cccnc2)c2ccc(F)cc2F)cc1	741686135	FCQLBNBFJHYVSM-XMMPIXPASA-N	420.459	5.014	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	742536928	FPJJQJZZASXWRQ-OAQYLSRUSA-N	401.535	6.017	30	20	HKED	
Sc1nnc([C@H]2CCCCO2)n1N=Cc1ccc(-c2ccccc2Cl)s1	743452376	PULOOAMWGNNEHG-OAHLLOKOSA-N	404.948	5.073	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1	744032063	BKJQWMDDHCAPOR-RDTXWAMCSA-N	422.554	5.233	30	20	HKED	
COc1ccc2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c(C)c2c1	744038151	NZSXBCFBPDCOMO-CQSZACIVSA-N	411.433	5.453	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)NCc2cc(C#N)ccc2F)s1	745891613	VZJXWGMLGGYLHW-UHFFFAOYSA-N	407.514	5.022	30	20	HKED	
CC[C@@](C)(CCCNC(=O)c1ccccc1Sc1ccccc1C#N)C1OCCO1	746005683	TUOWGLAZMRVYPR-DEOSSOPVSA-N	424.566	5.009	30	20	HKED	
C[C@H](OC(=O)c1ccccc1SCC#N)c1ccc(NC(=O)c2ccccc2)cc1	748013630	NFMUWENOJIGGGN-KRWDZBQOSA-N	416.502	5.473	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(-c3ccncc3)cc2F)S1	751526099	ZCSARQAQUCHMAF-MOSHPQCFSA-N	403.482	5.396	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)cc1C#N	752303371	OSMCEJWTVFGFGQ-LJQANCHMSA-N	410.474	5.177	30	20	HKED	
C[C@@H](NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc(OCC#N)cc1	753733261	RFJLHZANGUKKEL-MRXNPFEDSA-N	418.368	5.211	30	20	HKED	
C[C@@H](C#N)CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C1CC1	754174534	HMVDPZGKWWHZAR-HNNXBMFYSA-N	407.564	5.353	30	20	HKED	
Cc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1-c1ccc(F)cc1	756233262	JAPUYDAMWNLIQU-MRXNPFEDSA-N	412.873	5.477	30	20	HKED	
C=CCc1cc(-c2nc(Cc3nc(-c4ccccc4)oc3C)no2)cc(OC)c1OC	761505276	QWGKCUWMYLOQNP-UHFFFAOYSA-N	417.465	5.037	30	20	HKED	
N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c(Cl)c([N+](=O)[O-])c1	764302687	TVQCFWPPYMMQGG-NEPJUHHUSA-N	410.644	5.169	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1C	764698362	DYQMBXBALQNWLE-GOSISDBHSA-N	419.472	5.284	30	20	HKED	
N#CCc1ccccc1CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1	776870625	YJARQTRCMFXFBK-UHFFFAOYSA-N	415.493	5.277	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)C(c1ccccc1)c1ccccc1	777113551	CXDXCEZWVJNQKS-HXUWFJFHSA-N	411.549	5.152	30	20	HKED	
N#Cc1cc(N[C@H]2CCCc3c2sc2ccccc32)ccc1N1CCC(O)CC1	777117938	PDKZIKYEKBPXBQ-NRFANRHFSA-N	403.551	5.224	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2O[C@H](C)C#N)c1	780162297	DLEUMSJUSVZNOF-LJQANCHMSA-N	400.478	5.046	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3cc(O)ccc3C2=O)cs1	780187037	BVEISEIINFIWBX-NTEUORMPSA-N	410.882	5.009	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc4ccccc4c3)c2)cc1	782808791	VGDYOOADCQLEIA-UHFFFAOYSA-N	407.429	5.081	30	20	HKED	
O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C\c1ncc(C(F)(F)F)s1	788348998	HDYGLSSFOWOYBR-UITAMQMPSA-N	423.363	5.072	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1	789125694	ZTAUKAAISWZJKJ-AVRDEDQJSA-N	407.514	5.053	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1	789720663	WRMXMQQZURBBMK-UHFFFAOYSA-N	408.542	6.067	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cc1cnc(NC(=O)OC(C)(C)C)s1	800508163	MIPQNDUSPZKWCR-UHFFFAOYSA-N	400.548	5.020	30	20	HKED	
O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ncsc1C(F)(F)F	801678236	GBZNEQHKZAGQPK-SECBINFHSA-N	423.256	5.641	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1	805856188	VEZYVEJKOUNOJT-OAHLLOKOSA-N	413.930	5.558	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccncc1	806819708	RISYLJHZWQCNMX-UYAOXDASSA-N	403.448	5.307	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1	809331100	CMKQWRJGGFCAJO-UHFFFAOYSA-N	404.813	5.147	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2cc3c4ccccc4n(C)c3s2)c(C#N)c1C	894210763	JSBIXYYDCWTZMO-UHFFFAOYSA-N	423.519	5.064	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1-c1ccc(F)cc1	917039815	DKKIIUSESNAMRI-SFHVURJKSA-N	422.410	5.468	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917042803	GAMWYRSQNVUCGF-OAHLLOKOSA-N	422.859	6.168	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	920003918	RXKGAZDEIDMAQK-UHFFFAOYSA-N	423.831	5.102	30	20	HKED	
O=C1/C(=C/c2csc(COc3ccc(Cl)cc3)n2)COc2c(F)cc(F)cc21	920065833	CHVJWPHPAAUGFL-VZUCSPMQSA-N	419.836	5.312	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)oc4ccc(OC)cc34)n2)cc1	920139568	VDADWQDOSBWDLF-SFHVURJKSA-N	418.474	5.372	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3coc4cc5c(cc34)CCC5)n2)cc1	920141180	MVXBKBUKUNCKJU-NRFANRHFSA-N	423.497	5.336	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(nc3O)CCC(C)(C)C4)n2)cc1	1343354243	HYTDENTWYSGLTN-GOSISDBHSA-N	417.534	5.224	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1	1789451531	KOUJEXJYDZKONJ-HXUWFJFHSA-N	419.525	5.068	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC1	1790294432	MQXWORWRKNIHGA-UHFFFAOYSA-N	414.958	5.007	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)C[C@H]4C)cc3)CCC2)c1	1790425224	DQJICGDDCAIMQX-GAKIBJFNSA-N	415.537	5.107	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1	1791944277	OBCRRBBDSVTUBX-UHFFFAOYSA-N	406.526	5.033	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C2	1792567599	OGKDNMAHGAUZNM-RZXSNQJFSA-N	416.993	5.074	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ccccc2c1	1795540141	HRLPCODJWVZABS-BKFWDETESA-N	418.581	5.013	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)CCCCC)CC1	1832033782	CIWDNGJNAKBLSO-FYYLOGMGSA-N	402.623	5.016	30	20	HKED	
C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1	7172119	MJNJOWDVYZVFMH-OAHLLOKOSA-N	410.568	5.043	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2cccc(C)c2)cc1	28780453	PXUNGCVYBVBJIH-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3ccccc3)c2)c1	48125770	OOURLMWOFFGCRO-QHCPKHFHSA-N	410.477	5.180	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc2ccccc2n1	48854468	DYXKIXBFUPAKBI-OAQYLSRUSA-N	406.445	5.369	30	20	HKED	
C[C@H](Cc1ccccc1F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	54443936	XPICNLHKBXQQMJ-GOSISDBHSA-N	417.484	5.223	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cs1	54734046	KTSNFCYXHYTCJX-MRXNPFEDSA-N	405.504	5.375	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2coc(-c3cccs3)n2)cc1	56592745	SAIYLFQZCWULGR-UHFFFAOYSA-N	416.462	5.389	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(F)cc2F)cc1OC	60833341	ARJJDTGFYYNKFH-LBPRGKRZSA-N	412.274	5.152	30	20	HKED	
COc1ccc2ccccc2c1CNCc1cccc(OCc2cccc(C#N)c2)c1	60973369	XUFNUEWAWQMUPD-UHFFFAOYSA-N	408.501	5.589	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccoc1C	68887605	PNKIXPUYLQVWPL-UHFFFAOYSA-N	413.890	5.028	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	97453804	HFMCQGACULFLQE-MRXNPFEDSA-N	420.365	5.508	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1-c1ccccc1	108738875	WLEWYWSMTJHCFB-UHFFFAOYSA-N	424.479	5.034	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1ccccc1F	220144903	ALYKTMKOOZKKPN-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
COc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1OC(F)F	237265147	LMWTVETZXKQGQP-UHFFFAOYSA-N	424.447	5.037	30	20	HKED	
COc1cccc([C@H](NCc2cccc(OCCCC#N)c2)c2ccccc2Cl)c1	237322288	GMFJNZBOPSANCP-VWLOTQADSA-N	420.940	5.910	30	20	HKED	
CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1	303812230	CUDNUWVJGJYZIL-GDIGMMSISA-N	402.416	5.170	30	20	HKED	
N#Cc1ccc(CNc2ccc(F)cc2OCCC(F)(F)F)c(OC(F)F)c1	409865636	UCNWBWBIXXJDCQ-UHFFFAOYSA-N	404.310	5.242	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1	429935747	HNFVSLZFOBEJNI-UHFFFAOYSA-N	400.809	5.149	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[C@@H]1CCCC[C@@H]1O	431541557	AQYMGGBFRNUAGT-CVDCTZTESA-N	407.514	5.112	30	20	HKED	
N#CCCn1cc(CN(Cc2ccc(F)cc2F)C2CCCC2)c(-c2ccncc2)n1	435133337	AXXABCRLPJKJFM-UHFFFAOYSA-N	421.495	5.082	30	20	HKED	
CCc1ccc(OCc2nnc(S[C@H](C#N)CC)n2[C@H](C)c2ccccc2)cc1	436043538	SFWMKXKVAFQPJB-UTKZUKDTSA-N	406.555	5.423	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438639142	AHLZYQSKESHCIX-UHFFFAOYSA-N	401.310	5.260	30	20	HKED	
COc1ccc2[nH]cc(C3=CCN(C(=O)N[C@@H](CCC#N)c4ccccc4)CC3)c2c1	438837303	PXARIMJAMOGRCD-QHCPKHFHSA-N	414.509	5.020	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	442729676	KXAJUGPBSQXEMO-UHFFFAOYSA-N	415.280	5.318	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2cc(OC)c(OC)cc2Br)CCCC1(C)C	445242877	LNDAXUBIPREKOM-QGZVFWFLSA-N	411.340	5.065	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1c(F)ccc(Br)c1F	447418181	MHDRXJAMVXUKSH-JTQLQIEISA-N	411.271	5.374	30	20	HKED	
COc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1C(F)(F)F	448081683	CDQZCTQQHSNMQQ-FUHWJXTLSA-N	403.404	5.018	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1	448083690	BHGAYFITZRWHNI-UHFFFAOYSA-N	402.292	5.151	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1	460342809	JXBRXIKUKKHJNB-QZTJIDSGSA-N	420.862	6.114	30	20	HKED	
N#Cc1cc([N+](=O)[O-])ccc1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	463067202	LOLYSDSYJXHKFE-UHFFFAOYSA-N	404.373	5.221	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@](CO)(Cc2ccccc2)C1	463726976	IYBPOGXRDQZYCZ-SANMLTNESA-N	406.570	5.388	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1	463820982	PRAYDSFKVXERGD-UZUQRXQVSA-N	403.913	5.348	30	20	HKED	
CC(C)(C)[C@H](C#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1	464706456	DSWCVMBJKYAPAR-SFHVURJKSA-N	417.372	5.409	30	20	HKED	
COCc1c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)sc2cccc(F)c12	464937015	DKTXJKSIJXEYGB-QFBILLFUSA-N	408.498	5.099	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)c1	464947687	CFAAEPKKPUZJLQ-FTJBHMTQSA-N	421.500	5.049	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCSc4c(Cl)cccc43)ccc21	469275972	RWXZALWUJVTHAZ-IBGZPJMESA-N	411.958	5.572	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	470020230	YDEIBRTWEYKOIK-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
Cc1c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cnn1C1CCCC1	470168168	XWLNDHHIYFSJAP-UHFFFAOYSA-N	420.900	5.876	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2cccs2)C1	473798399	YEPGQWKCZDTWIQ-NRFANRHFSA-N	419.506	5.326	30	20	HKED	
COc1cc([C@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)ccc1OC1CCCC1	474908781	OPNGMRVGRYKWBS-RXVVDRJESA-N	406.526	5.281	30	20	HKED	
C=CCN(C(=O)CCc1nc(C2CCCC2)no1)c1nc(-c2ccccc2)cs1	475010217	SIAZXAFOTNIUMN-UHFFFAOYSA-N	408.527	5.003	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](c1cccs1)C(C)(C)C	476370401	RLDWQLFOJBYNIO-MGPUTAFESA-N	401.601	5.458	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	479964150	NFFOCGJXLDPBMC-MGPUTAFESA-N	420.538	5.512	30	20	HKED	
CCN(C(=O)c1cccc(CC#N)c1)[C@H](c1cccnc1)c1csc2ccccc12	480969328	WELULNGEJBFQOC-XMMPIXPASA-N	411.530	5.614	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1C	483214295	XQARWQPOYYTZQB-DEOSSOPVSA-N	404.469	5.573	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@@H]1CCCc2nc(CC)sc21)c1ccc(F)c(F)c1	483316534	URTWKELQEUKQDX-MJGOQNOKSA-N	405.514	5.320	30	20	HKED	
N#C[C@@H](NC(=O)c1c(F)ccc(Br)c1F)c1ccc(Cl)c(Cl)c1	486436285	SHSFCAFQVVAYJH-GFCCVEGCSA-N	420.040	5.029	30	20	HKED	
C=CCOc1cccc(NC(=O)C(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c1	487129269	QFCOZUSQCJVIFZ-SFHVURJKSA-N	420.534	5.041	30	20	HKED	
Cc1ccc2ncc(C#N)c(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1	488268539	UIHJORYNCZLSDE-UHFFFAOYSA-N	419.790	5.105	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	496499255	UPVTXUILSFJWNB-HXOBKFHXSA-N	419.912	5.012	30	20	HKED	
C[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccc(Br)s1	501190460	YMJIRPILQHLMHA-SNVBAGLBSA-N	418.341	5.248	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1C#N	502140493	NYNXIKGQSRPJDN-UHFFFAOYSA-N	407.514	5.164	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(C)cccc1CC	502664266	YMISIFJHJWLPBT-UHFFFAOYSA-N	405.311	5.679	30	20	HKED	
COc1c(Cl)cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1Cl	503454857	SNWUKSOGDQOXQO-UHFFFAOYSA-N	402.281	5.195	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503498613	NELQTQSHCBRAIY-UHFFFAOYSA-N	411.509	5.324	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1	505797762	XBAJSRODFPDUQL-OAQYLSRUSA-N	418.884	5.287	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(C#N)ccc2Cl)cc1	507721045	YYXHDMBIZDHXQI-UHFFFAOYSA-N	403.844	5.065	30	20	HKED	
N#CC1CCC(CNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)CC1	508371463	YRZICTDSQLKGKO-UHFFFAOYSA-N	422.912	5.725	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1Cl	510022472	DTWDJEBDOIPOFV-PZJWPPBQSA-N	421.953	6.426	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1	510705381	VMFYCLVGAOKCNI-HSZRJFAPSA-N	402.881	5.056	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1	511821566	LLBXQMJDZRPYHV-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
N#CCCn1cc(CNc2ccc3nc(C(F)F)sc3c2)c(-c2ccccc2)n1	513033397	VDWCSYBUVQDBDR-UHFFFAOYSA-N	409.465	5.623	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2ccccc2C#N)c1	516700648	UVKZCTZPLCSMNN-UHFFFAOYSA-N	409.489	5.060	30	20	HKED	
COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)cc1	518662984	WTAPTWIZZGZYAP-INIZCTEOSA-N	421.522	5.173	30	20	HKED	
CSc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1NC(C)=O	519032949	HGQSIQVWHYEGNK-UHFFFAOYSA-N	417.490	5.283	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1	521077687	ZKBPDWDMVUAQQI-HSZRJFAPSA-N	419.456	5.221	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	521356823	WPCWZGGFXYPYOO-HJPURHCSSA-N	411.461	5.197	30	20	HKED	
Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	522298546	XPOAZQOEHQYOSG-LJQANCHMSA-N	417.431	5.047	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)c3c(C)noc3n2)c(C)s1	522649181	YUKPAINWEAQXIY-VERVWZFWSA-N	408.527	5.079	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	523185967	IVIBFKZQMJRHDH-SBUREZEXSA-N	417.484	5.326	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)Nc3cc(C#N)ccc3OC(F)F)oc12	524434645	ANVXHTKBNYUXBU-GFCCVEGCSA-N	415.396	5.187	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(F)cc1C(F)(F)F	524437827	BDBQLXXMMPGUOS-SNVBAGLBSA-N	408.317	6.088	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccc(F)cc1	524915144	VOKLPPRZRZQQHK-OAHLLOKOSA-N	406.486	5.779	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)oc12	525859767	GTWILVMVECEXSR-ZDUSSCGKSA-N	411.280	5.604	30	20	HKED	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	533147216	CYZKQECSDDBYJB-INIZCTEOSA-N	404.491	5.119	30	20	HKED	
CC(C)(NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1Br	533865243	YHPBGRUHIHMJDE-GOSISDBHSA-N	400.320	5.028	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NCc2nnc(-c3cccc(C#N)c3)o2)cc1	537156274	CQFHAFZLHXLLLD-QGZVFWFLSA-N	410.477	5.135	30	20	HKED	
C=CCC[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc(C(F)(F)F)cc1	538230890	PSYZDGZEGLKHLR-QGZVFWFLSA-N	407.461	5.264	30	20	HKED	
CC(C)C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1	538616862	BELHEVHTJBLFKE-MOPGFXCFSA-N	411.477	5.205	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNc2nc(C(F)(F)F)ccc2C#N)on1	538676153	RJCCSCVRUQDJLG-UHFFFAOYSA-N	424.382	5.401	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)c2)cc1	540128201	KZSQFGMJWKLXPR-RDPSFJRHSA-N	413.477	5.250	30	20	HKED	
COc1ccc(-c2noc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)cc1	541084857	BUMDKROWEBVDKA-KRWDZBQOSA-N	410.477	5.135	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1ccc(-c2cccc(C#N)c2)cc1	541156728	KTPRBENJYOAXOE-INIZCTEOSA-N	406.917	5.120	30	20	HKED	
CCc1nc2cc(CNCc3cn(CCC#N)nc3-c3ccccc3)ccc2n1C1CC1	549250273	BBKNWNSVPUVBKT-UHFFFAOYSA-N	424.552	5.001	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1cc(F)c(C#N)c(F)c1	549724264	LJNGJWDYEIIQJV-UHFFFAOYSA-N	422.218	5.037	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H]1OCCc2sccc21	558078633	LYKRCPYCPYOHKW-HJPURHCSSA-N	418.518	5.039	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c1	560692709	QLZLXWFAKTZWFF-UHFFFAOYSA-N	419.584	5.125	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1(c2c(Cl)cccc2Cl)CCC1	561216150	WQMIQRLKDVSCCJ-UHFFFAOYSA-N	408.325	5.105	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1	562086884	LEJSBTILUOPBGT-QGZVFWFLSA-N	415.459	5.918	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cc(-c3ccccc3)on2)cc1	568771286	ONMOTBZEZIETCY-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CC=C(c2cccc(Cl)c2)CC1	572529275	RJDIPXHRDBUEBF-UHFFFAOYSA-N	420.944	5.128	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3ccccc3COC(C)C)no2)c1C#N	577211688	KFEYISOQCXXMKJ-UHFFFAOYSA-N	406.511	5.195	30	20	HKED	
C=CCCCNc1cccc(NC(=O)c2ccccc2I)c1C	578823183	LAUZVDQKOHCDMC-UHFFFAOYSA-N	420.294	5.230	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccc2n1	602230107	RPWHGMZMNHTODI-UHFFFAOYSA-N	412.518	5.529	30	20	HKED	
C=CCn1c(S[C@@H](CC)c2ccc(F)cc2)nnc1[C@H]1COc2ccccc2O1	606150147	FBBIOSLROIILBY-UXHICEINSA-N	411.502	5.359	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	608883268	DEDPCWCMVQZCNJ-UHFFFAOYSA-N	421.884	5.249	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	609189525	UVZWZYMDFIKHEZ-UHFFFAOYSA-N	422.554	5.160	30	20	HKED	
C[C@H]1CCC[C@H](OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	609576269	UIHYLRZMOBINRU-ZFWWWQNUSA-N	400.466	5.245	30	20	HKED	
C=CCc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC	613318305	WZOIPIBRPSPKTC-LJQANCHMSA-N	418.518	5.354	30	20	HKED	
CC(C)(C#N)c1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1	618545330	JDUAAGXJSMZVAH-UHFFFAOYSA-N	418.459	5.182	30	20	HKED	
CCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC	642282168	QAZLQCDLZDNYCF-ZDUSSCGKSA-N	420.412	5.212	30	20	HKED	
CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1ccncc1	725854465	JLFULSBYFRTLLE-UHFFFAOYSA-N	424.327	5.352	30	20	HKED	
Cc1oc(-c2cccs2)nc1COC(=O)c1ccc(COc2ccc(C#N)cc2)o1	728109998	HBCVLQLEEFNZPV-UHFFFAOYSA-N	420.446	5.112	30	20	HKED	
C#Cc1cccc(N(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C(C)C)c1	728247697	MWPOITJDBVMKSZ-UHFFFAOYSA-N	424.953	5.341	30	20	HKED	
COc1ccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OC1CCCC1	728452559	OZRAFNFEYWLZPL-UHFFFAOYSA-N	415.946	5.028	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2c1	730988720	BPFZNXMDDKHBGO-SAYIFAPPSA-N	402.519	5.752	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)c1cc(F)ccc1F	732377208	DDSBUCWGCNMCCQ-OAHLLOKOSA-N	421.399	5.251	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1	733771447	RPVUHUQMPZBFSZ-BEFAXECRSA-N	404.432	5.196	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2c(Cl)cccc2Cl)c1	733804871	KJKYQMZBKILSKU-OAHLLOKOSA-N	406.313	5.016	30	20	HKED	
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)Nc1cccc(OCC#N)c1	738902320	ZBEDPNIVJGJGLD-LJQANCHMSA-N	401.894	5.160	30	20	HKED	
CSc1cccc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)c2ccc(F)c(F)c2)c1	742384466	DHLHJXCNLIUXSE-VOIUYBSRSA-N	424.516	5.857	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	742454253	BWUCJPIBXDCJGK-CRAIPNDOSA-N	408.548	5.489	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	743196247	IJKAHAFWUSXFLZ-GOSISDBHSA-N	406.379	5.226	30	20	HKED	
CC(C)=CC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	744035782	RKYQCNYZMGXOAK-KRWDZBQOSA-N	423.925	5.022	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(Cl)c([N+](=O)[O-])c1	746480131	GKTHWPJSFOZJMD-UHFFFAOYSA-N	418.796	5.180	30	20	HKED	
CCCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)c1ccc(C)o1	746661011	WVMRHVAGPXABCP-RDPSFJRHSA-N	415.537	6.639	30	20	HKED	
O=C(/C=C/c1c(OC(F)F)ccc2ccccc12)c1ccc(N2CCOC2=O)cc1	748584543	SIXAHKHKRSGCIC-ZHACJKMWSA-N	409.388	5.294	30	20	HKED	
Fc1ccc(C(CCSc2ccccc2)=NNc2nc(-c3ccncc3)no2)cc1	750945145	GWXOIOAUZXJQFZ-UHFFFAOYSA-N	419.485	5.269	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cnccc2-c2cccc(F)c2)cc1OC	753274155	RJUFOFPCTQMGFH-CSKARUKUSA-N	404.441	5.113	30	20	HKED	
COc1ccc(CCC(C)=O)cc1OC(=O)c1ccccc1Oc1ccccc1C#N	756031531	WQXJKWMJLQZJTL-UHFFFAOYSA-N	415.445	5.100	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2c(F)cccc2C1	757877130	GRAJMSALPQNGRF-UHFFFAOYSA-N	401.441	5.388	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	763727042	YSHKSDQTUDJVLZ-CKRJSAQMSA-N	405.542	5.447	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccccc2)[C@@H](C)CC)c1=S	764890234	SLDIDVWVRHBOJA-IBGZPJMESA-N	407.587	5.310	30	20	HKED	
C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	766028176	VDIPPQXRGQOAAP-HJPURHCSSA-N	419.456	5.123	30	20	HKED	
Cc1ncc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	772419901	GFLWVLNMNWCZIL-LJQANCHMSA-N	410.930	5.125	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccccc3F)s2)ccc1OC	772987396	UBWIAVNXRCVWIY-FUHWJXTLSA-N	424.541	6.095	30	20	HKED	
N#CCn1cc(NC(=O)c2cc(Cl)ccc2Sc2ccc(Cl)cc2)cn1	775528791	DNVVXXOFHKBCDV-UHFFFAOYSA-N	403.294	5.117	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc4[nH]ccc4c3)n2)cc1	776084215	KDINGJUYPOYIIV-IBGZPJMESA-N	401.491	5.109	30	20	HKED	
C=CCC[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	777654853	SZEUUIBKCZIPDM-QFIPXVFZSA-N	414.496	5.123	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ncccc3C(F)(F)F)cc2F)c1	779596464	WJLMZUKDBFPZRV-UHFFFAOYSA-N	401.363	5.302	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)nn1-c1cccc(C#N)c1	780474147	FXFXHZCGPDAKFU-NRFANRHFSA-N	424.426	5.049	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	780909985	DQGRJKOKJFGBCC-UHFFFAOYSA-N	420.318	5.139	30	20	HKED	
CSCc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	787050720	LNJFDAYRPFHGAQ-SJKOYZFVSA-N	421.349	5.056	30	20	HKED	
O=C(O)C(=O)/C(=C\c1cnc(-c2ccc(Cl)cc2)s1)c1ccc2ccccc2n1	789129110	YESJVXRKHKFDTL-BOPFTXTBSA-N	420.877	5.206	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)OCc1ccc(C#N)cc1Cl	790746638	QQGCJRXYZDUXGN-UHFFFAOYSA-N	414.889	5.235	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	805877440	HRCLBXKHZXBCQB-INIZCTEOSA-N	406.438	5.112	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c(F)c1	809325932	GLALKKVZAIYKLG-CQSZACIVSA-N	409.232	5.316	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C2=CCCC2)cc1	810530165	XGSLYEPIQGQIQF-SFHVURJKSA-N	408.885	5.186	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2cccs2)CCCCC1)c1nc2ccccc2n1C(F)F	810536675	NROLZOGQNKVKBE-INIZCTEOSA-N	413.493	5.862	30	20	HKED	
N#CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	814273764	SQCGGKWRHIGMGL-SXGWCWSVSA-N	421.330	5.302	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccs1	916137338	VKVXDMFEZKLMFJ-RMKNXTFCSA-N	402.302	6.203	30	20	HKED	
Cc1cccc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c2C)c1	916905943	OMOSTBRATRJSDX-LJQANCHMSA-N	405.885	5.017	30	20	HKED	
Cc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)s1	917042394	KXOIAMZOFCHYSY-ONEGZZNKSA-N	402.107	5.183	30	20	HKED	
C[C@]1(C#N)CCCN(c2nnc(CCOc3ccccc3)n2CCCC2CCCC2)C1	1288982221	RWUNKSJRDQUOMK-RUZDIDTESA-N	421.589	5.000	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCCC4)CCC3)cc2)c(Cl)c1	1790764202	PCQOYZFIMOPXCH-UHFFFAOYSA-N	421.928	5.150	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(C4CC4)cc3)cc2)CCC1	1790783073	KHOPGGMIIQFMLE-UHFFFAOYSA-N	420.578	5.231	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1	1819555795	CAJWQPQMBJCSEF-DRUFCSCSSA-N	412.578	5.141	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc(F)cc2)C2CC2)c1=S	8151437	VABKZKNOXBJBFG-UHFFFAOYSA-N	424.545	5.037	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(C)c2)c1	10832491	DAMBVVAMHPLUJJ-UHFFFAOYSA-O	409.962	5.604	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccccc1F	11170873	XBRDTJPAWKSVNE-UHFFFAOYSA-O	407.534	5.343	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(C2SCCCS2)cc1	22476642	UEYINOIJXGPZCR-UHFFFAOYSA-N	421.509	5.356	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1	41537961	WLXNLBQANQXXAN-CYBMUJFWSA-N	418.261	5.515	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-]	46861631	QUQBLSWKZBAZPC-IBGZPJMESA-N	405.841	5.464	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1	56757971	NGDYMYKONYTORW-KRWDZBQOSA-N	411.933	5.379	30	20	HKED	
C=CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccc([N+](=O)[O-])c1	63288338	MTIDNMDOPCSKPA-UHFFFAOYSA-N	401.466	5.035	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC(F)F	65680394	IUTWDVDMAMHDNN-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)cc1	65870205	ANORVPDYWOTZGR-UHFFFAOYSA-N	421.522	5.086	30	20	HKED	
COc1cccc([C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	195627126	ZJCFZERZBZNPQZ-GOSISDBHSA-N	402.469	5.038	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	303372638	SZTZRCASBTWPCH-ZDUSSCGKSA-N	424.507	5.365	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	303447894	IXQJBQISIVRQSW-XYPHTWIQSA-N	404.457	5.842	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1F	431832362	KNTSKCTZOWQVLS-YWZLYKJASA-N	415.509	5.976	30	20	HKED	
CSc1c(F)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	435702595	ZVTLTNZFAQQSLL-UHFFFAOYSA-N	414.449	5.824	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCCc1ccc2ccccc2c1	437450624	JUQMTVXAUFSYMM-GOSISDBHSA-N	420.603	6.006	30	20	HKED	
Cn1ncc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1C(F)(F)F	444742984	KGQZIFGVBFTNMW-LBPRGKRZSA-N	419.291	5.241	30	20	HKED	
N#Cc1ccccc1Cn1cccc1CNc1ccc(C(=O)NC2CCCCC2)cc1	446890109	GRJVSNPDZDYHMB-UHFFFAOYSA-N	412.537	5.083	30	20	HKED	
Cc1cc(C)c(Br)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	461008923	UFVKWPWEZUJLAQ-CYBMUJFWSA-N	403.345	5.570	30	20	HKED	
C[C@H](C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1cccc(C#N)c1	463941901	FOLMMXYNDOCREZ-UGSOOPFHSA-N	415.356	5.120	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc2c1	464472250	DDVLSPZZLQGSCE-GFCCVEGCSA-N	423.188	5.408	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1	466087903	SGYJEOYUEYJFFO-HXUWFJFHSA-N	400.522	5.821	30	20	HKED	
N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ccccn1	467841888	WLUNJSHIKCGBKL-MRXNPFEDSA-N	409.854	5.284	30	20	HKED	
CCc1c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cnn1-c1ccccc1	468184195	UNPWPYVRNUXQMF-UHFFFAOYSA-N	422.488	5.138	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1Cl	469190592	HHOYOXFFMDRJBC-CQSZACIVSA-N	402.325	5.749	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cn3)cc2)c1	469503652	RNUMHBDARJBRBU-UHFFFAOYSA-N	405.841	5.001	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCCCC1	470537233	JTFLOAOHZUCMPI-NRFANRHFSA-N	410.562	5.140	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	471187270	PEDCKPILJXMMMZ-HXUWFJFHSA-N	401.432	5.921	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](COC)Cc1ccccc1	472757088	VMXLEOGSBQBPLG-UYAOXDASSA-N	411.571	5.192	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC)c1nc(-c2ccccc2)cs1	472803826	ASQUTPHTGFJGRW-ICSRJNTNSA-N	420.534	5.150	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1F	475173528	STISRSQGVGPKPO-GOSISDBHSA-N	404.441	5.653	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C[C@@H](CC#N)c1ccccc1	476335520	STBCSHOELYACQV-WIYYLYMNSA-N	403.551	5.726	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)CC1	477485152	QWCYTSPOXCOIAC-SANMLTNESA-N	413.565	5.269	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(N(C)C)nc4ccccc34)n2)cc1	478076946	NTUZWYHOCMXEKO-IBGZPJMESA-N	412.518	5.223	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482411516	JLFVNUWECYTDML-ABKXIKBNSA-N	408.317	5.249	30	20	HKED	
Cc1noc(C)c1Cc1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	482716287	NTBHRNZGCNGHGD-UHFFFAOYSA-N	406.829	5.250	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C	483696255	UWSJDJATEIZYPR-OAHLLOKOSA-N	419.485	5.479	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccccc4)o3)n2)cc1	484554916	IRIXCYKITFVBNI-GOSISDBHSA-N	411.442	5.557	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1	487728821	XHNWITHCDCRMQU-KRWDZBQOSA-N	424.595	5.279	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC)c1ccccc1	488723638	XBSBWWYTZHTMRT-QFIPXVFZSA-N	420.553	5.400	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccncc1	489446633	JBVGQTCGFVTVCH-MRXNPFEDSA-N	418.526	5.128	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(Br)c1F	490471877	QGHJSFUFDKSYJE-UHFFFAOYSA-N	408.246	5.041	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1OC	497563443	ACPUGOKNVQJXTD-OAQYLSRUSA-N	411.548	5.171	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	499430873	LCRQVMMVDHZINI-ZQIUZPCESA-N	424.125	5.240	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@@H]1c1cc[nH]n1)c1ccc(C(F)(F)F)cc1	500105600	MRJCDJFLZJUPAO-PKOBYXMFSA-N	406.452	5.373	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)N(C)[C@H](C)c1ccccc1	504793399	KVQOSATUXWMCRT-LJQANCHMSA-N	407.558	5.222	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1	505001767	XBOYPKYZIHRWLV-UHFFFAOYSA-N	416.468	5.612	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)Cc1cc(OC)c(OC)cc1SC	505061282	JIQPAAPPQXWJCL-UHFFFAOYSA-N	400.544	5.208	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccnc2ccccc12)c1ccc(OCc2ccccc2)cc1	505336176	AFEZZMBSNHCNRH-AREMUKBSSA-N	421.500	5.127	30	20	HKED	
C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1	505834357	WUTOOUZIZJZITG-INIZCTEOSA-N	419.550	5.053	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1cccc(C(F)(F)F)c1	505987966	VZQAXBKDHPLPDI-SFHVURJKSA-N	413.424	5.246	30	20	HKED	
Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	506650307	FOUAZSCNWRQHSU-VLIAUNLRSA-N	422.916	5.526	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1ccsc1)N(C)C	510746479	FZDAIHFYXGFFCL-JOCHJYFZSA-N	420.538	5.145	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1Cl	511309816	ZJCGBMHURVVOQP-KRWDZBQOSA-N	419.912	5.868	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc(Cl)s2)n1	518239407	BHQYJXVLMDFNJR-LLVKDONJSA-N	419.984	6.172	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)cc1	518494725	WPZZYNVVOTZAJJ-QFIPXVFZSA-N	420.509	5.214	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(OC(F)F)c1	518656490	YKZGUQNNWZLFEY-CQSZACIVSA-N	422.522	5.554	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	518940928	BDNBFVWQGBVPCC-WOJBJXKFSA-N	421.610	5.363	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	521356824	WPCWZGGFXYPYOO-QMHKHESXSA-N	411.461	5.197	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	521735027	WPEORJKAEQVAPJ-AWEZNQCLSA-N	422.472	5.852	30	20	HKED	
Cc1nc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc1-c1ccccc1	522044693	HGQMMRBJVIOBSG-UHFFFAOYSA-N	407.477	5.087	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccc(F)cc4)CC3)cc2F)c1	524455983	KIENEUXVSCXSGL-UHFFFAOYSA-N	404.416	5.086	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@H](CC(F)(F)F)c3ccccc3)c2)c1	524503413	OBXXARDTEQVESH-JOCHJYFZSA-N	424.422	5.561	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)c1C	531842339	KDDAZJVBXZZONK-XMMPIXPASA-N	421.541	5.130	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1	534167719	VKWVCXGBOPWDGN-ZHRRBRCNSA-N	402.881	5.056	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c2c1	535431269	ZSVVKNMAZQRUSZ-LJQANCHMSA-N	412.518	5.675	30	20	HKED	
CCc1ccc(C2=CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1	536818414	WJKMIZYFZBLEOG-GOSISDBHSA-N	405.567	5.822	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	536918743	YSFYGLSTYKYPJK-MRXNPFEDSA-N	416.481	5.199	30	20	HKED	
COC(=O)c1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F	538319890	FCRIUPGHMLJAPP-OAHLLOKOSA-N	409.301	5.024	30	20	HKED	
COCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	538535639	TWAMGIDSDYIGBB-MRXNPFEDSA-N	416.443	5.110	30	20	HKED	
CN(CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	539578344	HMWFKCNTFDYBBQ-QZTJIDSGSA-N	421.488	5.235	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C	543009820	JKZVDUHXQVPTBX-UHFFFAOYSA-N	407.436	5.461	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3cc(OC4CCC4)ccn3)no2)c2ccccc21	545096941	FVQIVPAWQNPSMI-KTKRTIGZSA-N	411.465	5.102	30	20	HKED	
Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	554399967	MMDJIACXXKAOBR-FPOVZHCZSA-N	419.916	5.002	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	554900894	IQUCWVLKWWYGLD-UONOGXRCSA-N	412.349	5.035	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC(=O)c2ccccc21	555881188	CGCHKIIRJXJRPT-QHCPKHFHSA-N	412.464	5.299	30	20	HKED	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C#N)c(Cl)c1	558643089	DLNFWJSESVTIOV-UHFFFAOYSA-N	402.841	5.016	30	20	HKED	
O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1c(F)cc(C(F)(F)F)cc1F	571100502	QRJZYHNGOUMFEA-UHFFFAOYSA-N	401.665	5.491	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	580484143	BLODTXWWIVUTAA-KRWDZBQOSA-N	411.571	6.288	30	20	HKED	
COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)ccc1C#N	602755561	DSSMNIQPHNIGBO-NRFANRHFSA-N	407.832	5.130	30	20	HKED	
Cc1sc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c(C#N)c1C	603444950	HBGRNHFIFMKBIK-UHFFFAOYSA-N	419.531	5.922	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C(C)C)cc1	603649905	HXTPQFMOXAGOCZ-OAQYLSRUSA-N	420.538	5.133	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	603968900	JVDIDWYODFMJRA-KUHUBIRLSA-N	401.491	5.134	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1F	608847610	STYQNUGFRUZGOO-INIZCTEOSA-N	401.441	5.082	30	20	HKED	
N#CCCCOc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1	608860441	LPVLJGKYCYTDEF-QHCPKHFHSA-N	401.441	5.279	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OCC(F)F	608864729	ZQFYYDYLKGFSLQ-UHFFFAOYSA-N	401.457	5.201	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)ccc1F	609103378	SDTFLJVJIWXCKF-UHFFFAOYSA-N	403.438	5.383	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)C1CCCC1	609164432	OEFCDVBPEBRZEY-HRAATJIYSA-N	423.944	5.019	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccccc1SC[C@H](C)C#N	609387199	SHISUOKCFJMHEE-KGLIPLIRSA-N	403.935	5.039	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4ccccn4)n3)cc2)c1	609427074	NXIIZTFOVMMSLV-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)cc2)nc1	609502310	XAEUNEKEJOPIJR-UHFFFAOYSA-N	424.338	5.158	30	20	HKED	
C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1	609845495	SXQKRBJVVWSRBO-ZCNNSNEGSA-N	414.619	5.199	30	20	HKED	
N#CCN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CCCC1	609978326	SWONGNYHKUWJJH-UHFFFAOYSA-N	416.308	5.154	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610094081	GUAUZCMNDNTOMX-NRFANRHFSA-N	401.470	5.146	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1	610170743	AVXHNQOKMWXWDK-INIZCTEOSA-N	411.933	5.420	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2cccnc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	611854913	BONSGHZRSPEOQN-IBGZPJMESA-N	410.521	5.270	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc1Cl	619767922	FTSIQKFRGAWVPB-GOSISDBHSA-N	418.722	5.021	30	20	HKED	
COc1ccc([C@@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Br	726447896	BIQCIAGTPYSJJE-SNVBAGLBSA-N	424.751	5.030	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	726666198	MZNAQFHWLOEKQA-GFCCVEGCSA-N	418.465	5.010	30	20	HKED	
Cc1ccc(N(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)Cc2cccs2)cc1	727148673	QRYGDTOVSSDSAL-OAQYLSRUSA-N	424.529	5.300	30	20	HKED	
C[C@@H](C#N)Oc1ccc(C=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1	727683436	JISQDKWDRYLZLF-AWEZNQCLSA-N	417.469	5.234	30	20	HKED	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727951176	GZAGWFOUDZYKQA-QPTUXGOLSA-N	417.553	5.002	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2nccs2)cc1	729036383	OZSHFXQQFLZHDJ-XZOQPEGZSA-N	424.529	5.710	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12	729070018	KEGGINWXSPWNSH-QGZVFWFLSA-N	405.910	5.672	30	20	HKED	
COc1ccccc1C[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	730692025	RKLPKDUQRVYBIA-JXFKEZNVSA-N	415.518	5.136	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H]3CCc4ccccc4C3)n2)cc1	732595923	FBTUBZLVNQJXJW-IERDGZPVSA-N	402.519	5.190	30	20	HKED	
CC(=NNc1ccc(Br)nc1)c1sc(-c2ccc(Cl)cc2)nc1C	732712676	FAUMAATZMPSRGH-UHFFFAOYSA-N	421.751	5.766	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	733621002	GNFWNUVYMXSHIY-HSZRJFAPSA-N	401.466	5.011	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CSc2cc(Cl)ccc2Cl)c1	733775466	WDWXVKJVWKXOAY-HNNXBMFYSA-N	409.338	5.083	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2(Sc3ccccc3)CCCC2)c1	733804505	FPHOUQATJUZUGZ-HXUWFJFHSA-N	423.582	5.272	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)cc1	734312425	DCOYSJFPRQEUBY-UHFFFAOYSA-N	411.505	5.380	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCCN(c2ccccc2)C1	734644822	WMELHQJAPFGDMU-FTJBHMTQSA-N	424.548	5.475	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1)c1ccncc1	734657186	DDPITDWHGUUFSO-UWJYYQICSA-N	409.530	5.089	30	20	HKED	
COc1cc(/C=C/C(=O)c2cncs2)ccc1OCc1cccc(C(F)(F)F)c1	735792843	MIHGULDIDYBGTI-FNORWQNLSA-N	419.424	5.646	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(CC)[C@@H](CC)Cc2ccc(C)cc2)c1=S	742176971	AALWSQAKFOAQTG-QFIPXVFZSA-N	421.614	5.271	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)n2)cc1	744063190	YWTLRDOXVVIGAT-GVDBMIGSSA-N	410.445	5.077	30	20	HKED	
C=CC[C@H](NC(=O)C[C@@]1(CC)OCCc2c1[nH]c1c(CC)cccc21)c1ccncc1	759113586	LATXKHYMYZPIPZ-BKMJKUGQSA-N	417.553	5.127	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@H]2c2cccc(C)n2)c1=S	765115722	HKIBERMGUPOGLU-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	767868730	HBKBUVMNVYBJNN-UHFFFAOYSA-N	405.567	6.079	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)c(Cl)c1	770007661	LZZQLPDGYOCFBV-UHFFFAOYSA-N	415.877	5.211	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(SCC(F)(F)F)cc2)c1	772986492	XOVWIPSXSQVHAH-QAPCUYQASA-N	408.489	5.873	30	20	HKED	
N#CC1(COC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CCOCC1	774186095	KPWSAIRFFRBDGN-UHFFFAOYSA-N	405.878	5.107	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1	779712542	IGTCXTRNZFQPLB-ROUUACIJSA-N	401.466	5.209	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)CCC2	780562975	PVTUTGFLVBLJPL-FQEVSTJZSA-N	404.495	5.315	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1cc(Br)cs1	782370333	TXVVYWAFHATBHX-UTCJRWHESA-N	400.297	5.381	30	20	HKED	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(CC#N)cc1)c1ccc2ccccc2c1	784269519	RJEZXOIFVWHBAW-XMMPIXPASA-N	415.537	5.261	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1	787041186	OAMOSAHGHXCHSM-AZOIQLNYSA-N	403.309	5.073	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nccc2ccccc12	792101563	BAWMREZPGAGYQT-UFYCRDLUSA-N	409.514	5.771	30	20	HKED	
O=C(/C=C\c1ncc(I)s1)c1cc(Cl)sc1Cl	794700136	VWTZRJALMDPFOY-UPHRSURJSA-N	416.092	5.012	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1ccc(Br)c2cccnc12)c1ccccc1	795987792	WWLPQVHWGSMKPQ-INIZCTEOSA-N	409.283	5.128	30	20	HKED	
CCc1ccc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1	796781166	XBCWUBDYCCKXAK-MRXNPFEDSA-N	414.433	5.271	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)s1	797568438	RNUJOKXOBCNQOC-JGWKKKPCSA-N	412.864	5.916	30	20	HKED	
N#C[C@@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	801688396	RGLFDPRDBQVAFU-HUUCEWRRSA-N	404.285	5.116	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1	806349179	LIXJLNRZOIPGCN-QFIPXVFZSA-N	419.456	5.038	30	20	HKED	
N#Cc1cc(NC(=O)Cc2ccc(F)cn2)ccc1Oc1ccc(C(F)(F)F)cc1	806947558	CUMAYWUWTROEHL-UHFFFAOYSA-N	415.346	5.085	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(Cl)cc(C)c1O	807970917	BISYFJKVRTZHPR-UHFFFAOYSA-N	421.810	5.061	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(F)c(Br)c2)cc1OC(F)F	810246987	HYHVGIYGGXHMFL-KXFIGUGUSA-N	401.178	5.094	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2sc3c(Cl)cccc3c2C)ccc1OC	815126794	REBIGIGPIMNCDB-INIZCTEOSA-N	414.958	5.843	30	20	HKED	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2C1	817324821	PVUIDVNQDAWHDX-JOCHJYFZSA-N	419.525	5.102	30	20	HKED	
COc1cc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(F)F	818238635	MIVONXKUHCWNTL-TYVLLQCESA-N	401.365	5.035	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SC(F)(F)F)cn2)c1	915175349	YXWNHMIQHOXNKO-UHFFFAOYSA-N	415.396	5.610	30	20	HKED	
CCCCCCn1nc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c2ccccc2c1=O	916848999	QVKMIJQQTDPIQS-NRFANRHFSA-N	424.504	5.015	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)c1	916892053	XJGMYCCJMZSGRF-GFCCVEGCSA-N	419.289	5.178	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2c(Cl)cccc2s1	916918728	SBNJFKYKSYGEAL-INIZCTEOSA-N	404.878	5.669	30	20	HKED	
C=CC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	917674066	LCIWFGYMXSKPLE-NRFANRHFSA-N	415.880	5.372	30	20	HKED	
FC(F)(F)c1nc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc2n1	918734820	AGOJYGWSLJBLOO-RKDXNWHRSA-N	417.275	5.216	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCOc1ccccc1F	919902346	KZZHETZRBLIMNZ-UHFFFAOYSA-N	419.456	5.389	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc3c(nc2O)CCCC3)c1	1278410536	QWWNNZHIBXVNKC-UHFFFAOYSA-N	419.868	5.236	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1	1785753933	AQYKGUXNRJMKQF-LJQANCHMSA-N	423.944	5.251	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1	1791590245	WSXCELFHJSLZHD-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1	1791729080	SDNZRAURFXSYTO-UHFFFAOYSA-N	413.521	5.109	30	20	HKED	
Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(O)c2)c1C	10167702	XPNMLRQYAAUADH-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(Cl)cc2)c1	10832934	ZNNIFKLGMWGQSL-UHFFFAOYSA-O	415.991	5.665	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3sccc3C#N)cc12	14626440	XLZZQWIKBYPNJW-UHFFFAOYSA-N	412.927	5.293	30	20	HKED	
CCc1noc(C)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	51285353	JFIIQTBOWCVHSZ-LBPRGKRZSA-N	406.294	5.466	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NCC(=O)Nc1ccc(CC#N)cc1	63479404	ZEASSQDWULATMH-UHFFFAOYSA-N	419.456	5.052	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12	64455982	UJFYBXJKEDAEME-UHFFFAOYSA-N	418.478	5.009	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1	111020510	ATWPYYXNXSRCGG-UHFFFAOYSA-N	419.529	5.095	30	20	HKED	
CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nn(CN(C)C[C@@H](C)C#N)c1=S	116144275	ATWGEBDVELMSCP-ZDUSSCGKSA-N	412.390	5.093	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2ccnc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	195556899	DFSSRNKPTHEEGH-SFHVURJKSA-N	404.882	5.139	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(-c2ccoc2)n1	303252994	COIQXNGWAIGOSV-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
N#Cc1ccc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C(F)(F)F	303494187	MDBOJUUYJKJYMU-HNNXBMFYSA-N	416.378	5.150	30	20	HKED	
N#CCC[C@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccccc1	427062027	YNXDGXYKJQEMGC-FQEVSTJZSA-N	409.942	5.091	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1-c1ccccc1	428904087	YHKRURPQOILTEN-UHFFFAOYSA-N	413.506	5.203	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1	439367176	CWMPVRIYSNGSHF-WMZHIEFXSA-N	418.541	5.176	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1C	440698030	WJLFZNWLESSXOO-UHFFFAOYSA-N	417.353	5.980	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3OCCc4ccccc43)cc2Cl)c1	440780499	JRCLMYBLMSHZSN-QHCPKHFHSA-N	418.880	5.043	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OC1CCCCC1)c1nc2ccccc2n1C(F)F	442682391	JHEBUFLNRJFTOO-QGZVFWFLSA-N	409.436	5.633	30	20	HKED	
C=C[C@H](Cc1nc(CC(=O)Nc2cccc(Cl)c2Cl)no1)c1ccccc1	445379819	GSHMFKTTXCGTFM-CYBMUJFWSA-N	402.281	5.070	30	20	HKED	
CC(C)Cn1ccc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cccc21	447521489	NTELTFULSUQLRI-OAQYLSRUSA-N	424.529	5.783	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1	448180734	QTHAILIEUZFISG-UHFFFAOYSA-N	416.999	5.228	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c2)cc1	461923329	YUYCBCMWKNECEZ-GOSISDBHSA-N	400.478	5.026	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccoc1C(F)(F)F	464314470	BLMRXRCKIXNJOH-SNVBAGLBSA-N	421.215	5.230	30	20	HKED	
CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H]1CCCC[C@H]1C(F)(F)F	464600173	GCTNFQLYAGMHBW-RTWAWAEBSA-N	416.443	5.330	30	20	HKED	
CC(C)[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1F	468508839	XPQGRFSUMZQWGL-CYBMUJFWSA-N	418.328	5.188	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(OC(F)F)c3cccnc23)c2ccccc21	469818734	UHEXWTIQYYQEKO-UHFFFAOYSA-N	420.419	5.347	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3nccnc3cc2F)cc1Cl	470832523	QTUXWYKYMRZHHZ-GOSISDBHSA-N	416.843	5.330	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cc1	470894849	NQUJHOXOJGIDKE-SFHVURJKSA-N	401.853	5.325	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	471259419	VXJWMSUDEAULAZ-BEFAXECRSA-N	417.431	5.136	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3ccc(C#N)s3)cc2Cl)n1	474409002	DPSLAPYHMMGTLQ-UHFFFAOYSA-N	418.931	5.467	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1	475567130	BROWIRFJOGTXKR-LJQANCHMSA-N	411.521	5.913	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2cc(OCC)c(OCC)cc2C1	475567990	FKSPTWAUDOJCRP-UHFFFAOYSA-N	422.569	5.926	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1	475593679	WPRWDRRNVRPHMN-UHFFFAOYSA-N	415.468	5.060	30	20	HKED	
COc1cccc(C(NC(=O)c2ccc(C(C)(C)C#N)cc2)c2cccc(OC)c2)c1	476249563	NEHTWSBCEAOMBU-UHFFFAOYSA-N	414.505	5.024	30	20	HKED	
Cc1coc(-c2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc2C)n1	478517728	OWBVJCSADWEGBG-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
COc1ccccc1[C@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)c1ccccn1	480080128	BLNDVHBMAGXJGK-VWLOTQADSA-N	423.520	5.089	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482405862	QAKSAFGJNMWCOK-MRXNPFEDSA-N	415.337	5.022	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)c1nccc2ccccc12	483220910	PZRUPAUALDASMN-MRXNPFEDSA-N	422.271	5.995	30	20	HKED	
C[C@H](Oc1ccccc1Br)C(=O)Nc1ccccc1S[C@H](C)CC#N	484264574	ODBMMXBKXNEGAZ-KGLIPLIRSA-N	419.344	5.249	30	20	HKED	
CC(C)c1c(NC(=O)N(C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1Cl	485189784	BSUXGDSXHRFENR-UHFFFAOYSA-N	407.905	5.185	30	20	HKED	
CC(C)(C#N)CC(=O)Nc1ccc(CN(C(=O)CC(C)(C)C#N)c2ccccc2)cc1	485934898	UFTLMWYBQSTTQR-UHFFFAOYSA-N	416.525	5.038	30	20	HKED	
C=CC[C@H](C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccccc1	488679943	WNXKTPVMKYIKGT-QHCPKHFHSA-N	400.478	5.003	30	20	HKED	
C=CCn1c(SCc2nnc(Cc3ccccc3C)o2)nnc1-c1ccccc1C	488891065	NZABAFKQXKYQKH-UHFFFAOYSA-N	417.538	5.014	30	20	HKED	
CC(C)c1c(NC(=O)c2ccccc2-c2ccccc2C#N)cnn1-c1ccccc1	490343901	NTKODEMSLFFJKR-UHFFFAOYSA-N	406.489	5.787	30	20	HKED	
CC(C)C[C@@](C)(NCCCC1(C#N)CCOCC1)c1cccc(Br)c1	499787727	WSHPEBNOWLYJHH-HXUWFJFHSA-N	407.396	5.401	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c12	499837011	KTNPPTCFVSAKRX-SFHVURJKSA-N	420.856	5.083	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1	502760817	PIFCREHBQRARSW-SECBINFHSA-N	424.334	5.456	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc([C@H]4CCCOC4)cc3)cc2)c1	503015156	HGSNDZJGEUTPJX-QHCPKHFHSA-N	412.489	5.284	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449258	MHLCCGFAYJYJGD-CQSZACIVSA-N	406.269	5.502	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccn2C)cc1	508300534	MPRXXEKFPCJGRG-NRFANRHFSA-N	416.481	5.067	30	20	HKED	
Cc1nc(NC(=O)c2cccc3cccc(Br)c23)sc1SCC#N	509084471	OVBFRTRLWQVBNU-UHFFFAOYSA-N	418.341	5.235	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2ccccc2)nc1O	510259622	UPOXTOHPAVERCM-UHFFFAOYSA-N	421.456	5.679	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3CCC(OC(F)F)CC3)cc2F)c1	510857354	PYANOSJXQOYFIC-UHFFFAOYSA-N	418.415	5.013	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	510897035	WQGOKSPTJVZPTG-AWEZNQCLSA-N	412.349	5.109	30	20	HKED	
CCOc1cc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	513201443	HSUBFEJQZJTUBF-HNNXBMFYSA-N	416.424	5.718	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	513289099	KRBJYXMBAXDMSG-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN(CCC#N)Cc1ccccn1	513714127	YRJPAIGBBXNRFO-UHFFFAOYSA-N	407.949	5.134	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCO1	513731707	ZHYIZEXMXMMMJP-HXOBKFHXSA-N	410.489	5.056	30	20	HKED	
N#Cc1ccc(SCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1C(F)(F)F	517255282	CIYSUZQVRLRVDT-UHFFFAOYSA-N	415.318	5.337	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)c(C)c1	517455386	FGNQNYUZTYDDRV-KRWDZBQOSA-N	420.534	5.980	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	518815107	TWJTUXYNPTZBCL-UHFFFAOYSA-N	403.507	5.285	30	20	HKED	
Cc1ccc(N(C(=O)CCc2ccc(C#N)cc2)c2nc3ccccc3s2)c(C)c1	520377274	PIXOWOZTRPVSEE-UHFFFAOYSA-N	411.530	6.082	30	20	HKED	
C[C@@H](Nc1ccccc1NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1	520459175	TUZCSMHFAAJPJQ-GOSISDBHSA-N	401.535	5.603	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	521259676	UAZGIQPSQVPBTA-LLVKDONJSA-N	423.366	5.301	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1	521752215	UGVNAXGETJSRDC-OALUTQOASA-N	402.416	5.154	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc2cc(Cl)ccc2s1	522076341	IRUKWXKKQWFMDK-ZDUSSCGKSA-N	413.289	5.279	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(Oc2ccc(F)cc2)CC1	522463759	AYWNOTZKBUDQHF-INIZCTEOSA-N	413.518	5.153	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCCC[C@@H]2c2ccco2)ccc1OCC(F)(F)F	523021789	XAXZPFULHVWQIJ-MRXNPFEDSA-N	407.392	5.242	30	20	HKED	
C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1C(F)(F)F	525079356	LMUAWNXCFDZMKJ-CQSZACIVSA-N	414.383	5.240	30	20	HKED	
COc1ccc(OC(F)F)c(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1	531789262	PKACKGWNBXCSSL-UHFFFAOYSA-N	424.447	5.037	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	532570324	FTTIEQQYXIIZCQ-DFQSSKMNSA-N	407.583	5.063	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CN[C@H](CCC#N)c2ccccc2)cs1	532669649	HQUBASAWZWLANM-OAQYLSRUSA-N	408.502	5.101	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](C)c1cnn(C(C)C)c1)c1ccc(C(F)(F)F)cc1	532726041	MUFDERSQMDOWBP-HNAYVOBHSA-N	408.468	5.551	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	533870992	SGWKJTNXGNQBTI-WIEQDCTASA-N	417.962	5.205	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1C1CC1	534982829	GSBMWDCDKSVPGI-HNNXBMFYSA-N	404.470	5.027	30	20	HKED	
C[C@@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1	537289401	VXAAWEYUVLQPIR-MWTRTKDXSA-N	424.953	5.055	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2ccccc2SCCC#N)c1	537906983	HRYDYQYGOMYFIT-UHFFFAOYSA-N	402.519	6.010	30	20	HKED	
COc1ccc(C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2ccc(OC)cc2)cc1	538501731	BDXODPLYAUNNAU-CRICUBBOSA-N	404.485	5.349	30	20	HKED	
CCCN(C(=O)c1ccc(C#N)cc1C)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	538556847	SCNZEFSAOBWYED-XMMPIXPASA-N	401.485	5.351	30	20	HKED	
C=CCNC(=O)c1ccccc1NCc1cc(-c2c(OC)ccc3ccccc23)no1	539755560	XHEBNSBLBCJHNZ-UHFFFAOYSA-N	413.477	5.031	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1CCc1ccccc1	541735919	JULNNEZQYPOQMT-TZIWHRDSSA-N	407.583	6.100	30	20	HKED	
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)C2(C#N)CCC2)cc1	541967924	ZNPUJKPZBGXFTH-KNTRCKAVSA-N	423.516	5.248	30	20	HKED	
N#CCc1ccc(C[S@](=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	543117639	WWUKAVMHEAOECA-NDEPHWFRSA-N	420.481	5.344	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC=CC1	544012696	JVHCSCUWLWNIAZ-GFCCVEGCSA-N	405.260	5.410	30	20	HKED	
C=CCCO[C@@H](C)c1nc(-c2cnc(Oc3ccc(Cl)c(CC)c3)cn2)no1	545097037	SNSGTSDLMURPCX-ZDUSSCGKSA-N	400.866	5.188	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2ccccc2[C@@H]1C	547830280	AJBGVITXYNZOEE-IBGZPJMESA-N	411.505	5.597	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)c1	555869551	QDFBCGOQNRNDFB-UHFFFAOYSA-N	414.933	5.210	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cs1	558048898	QANCOAZJJJNZMQ-UHFFFAOYSA-N	411.527	5.443	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	566755200	UTKSBOLSQBODJA-QGZVFWFLSA-N	407.480	5.266	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N(Cc1ccco1)Cc1ccco1	567523378	YBPMADQHLNJUJV-UHFFFAOYSA-N	411.465	5.072	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)CCCCC2=O)c1nc(-c2c(F)cccc2F)cs1	571964802	GRBARRNQBGVTAO-INIZCTEOSA-N	422.456	5.487	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	591206730	ONBLNFPHOVBGTK-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc2c1CC[C@@H](C)C2	603601403	ZLLZPLJJIWGHKE-CQSZACIVSA-N	403.507	5.493	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cn2)c1	603622110	KLDFABYHSVSOFE-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(F)cc2)CCCC1	603738496	JTJNVFCEVQBRJD-UHFFFAOYSA-N	415.468	5.644	30	20	HKED	
N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3)o2)sc2c1CCCCCC2	603996809	WTTMFPZOEHROGQ-UHFFFAOYSA-N	405.523	5.505	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1	604435750	IHNLFRSKGFXORY-XMMPIXPASA-N	415.468	5.230	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1	609067607	HWVLBGMWXCRVLB-UHFFFAOYSA-N	413.232	5.933	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cc(C#N)cn1C(C)(C)C	609358470	SBRCAFLLQQBABW-UHFFFAOYSA-N	404.948	5.514	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccccc1Br	609370576	FULFNYVOROPDKD-CYBMUJFWSA-N	421.385	5.574	30	20	HKED	
C[C@@H](NC(=O)CCCSc1ccc(Br)cc1)c1ccc(C#N)cc1	609371370	WHRZBPORZQDYAG-CQSZACIVSA-N	403.345	5.070	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1	609378045	VFBAKJQGMJZPND-SFHVURJKSA-N	418.587	6.483	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1	609507888	JGRZASKYUIMHHM-SFHVURJKSA-N	406.869	5.013	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CSC2CCCCC2)c1	609726273	URHVOMJEVDKOIP-UHFFFAOYSA-N	423.582	5.413	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(CN(C)C)c1	609731834	KZCKLOMBXIBMEZ-UHFFFAOYSA-N	419.912	5.626	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCOc3cc(F)ccc32)c1	609820557	ZQTFLGIDYIDBKV-UHFFFAOYSA-N	408.816	5.182	30	20	HKED	
CC(C)c1nc(-c2ccccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n[nH]1	609987235	NBNYNTJSCRCVMT-UHFFFAOYSA-N	422.492	5.463	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)oc1C	610591544	OHHZDLIARILEAI-VXKWHMMOSA-N	400.482	5.262	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N[C@@H](C#N)CC(C)C)c2nc3ccccc3s2)c1	611250558	GULPUVJEFDPVEF-TVNWYLLRSA-N	419.550	5.290	30	20	HKED	
N#C[C@]1(NC(=O)c2sc3cccc(Cl)c3c2Cl)CCc2ccccc2C1	613681825	BFHSWOIJNWNQLQ-FQEVSTJZSA-N	401.318	5.389	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1ccc2ccccc2n1	679978446	ZCUYFMXFSRNIAP-IBGZPJMESA-N	412.395	5.234	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ncoc1-c1ccc(F)cc1	681129648	PVATZSYUBOIKDM-QWRGUYRKSA-N	424.316	5.120	30	20	HKED	
CC(=NNc1ccnc2cc(Cl)ccc12)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	727250434	OHOZTAJVLDYEQO-UHFFFAOYSA-N	413.821	5.158	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(OCC(F)(F)F)cc2)cc1	727261763	GNRJNXWDRDDOJW-UHFFFAOYSA-N	422.451	5.338	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	727629594	UIEUHMSTUULGOX-OAQYLSRUSA-N	402.494	5.180	30	20	HKED	
Cc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728299973	WJWHFVATFCEIEN-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c(F)c2)cc1	730175036	JXEZXJKWDJJRCS-UHFFFAOYSA-N	404.441	5.412	30	20	HKED	
Cc1c(C#N)c(NC(=O)COC(=O)c2coc3ccccc23)n(C2CCCCC2)c1C	733599339	KGMBKDMHKMVRAQ-UHFFFAOYSA-N	419.481	5.024	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccccc2s1	734111567	FAYRPKQENQKCFX-MRXNPFEDSA-N	413.502	5.238	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1	735788009	HWGYYAZRPGJQSH-JZHDPFOFSA-N	410.477	5.098	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cncc(F)c1	737443879	LYWKGXAGZSKFOI-DAXSKMNVSA-N	415.251	5.676	30	20	HKED	
C[C@@H](OC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(C#N)cc1	748685514	QVIAAHNIXHVVRM-OAHLLOKOSA-N	415.474	5.158	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2cc(F)ccc12)c1nc2cc(C(F)(F)F)ccc2s1	749024470	BHBITZDEXSTHMJ-AWEZNQCLSA-N	418.371	5.619	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1sc(C(C)C)nc1C	751134441	XMXKYHQDEFBWNW-UHFFFAOYSA-N	420.464	5.282	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1OC	754689670	KRJOQIQESDMRON-YVMONPNESA-N	400.780	5.281	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Br)n1	755883211	WHGQRNDFPCTANT-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COc1ccc(-c2ccccc2)cc1/C=C\C(=O)c1ccc(OC)c(NC(C)=O)c1	756789741	ZMCAJUFMVNHCQZ-XFXZXTDPSA-N	401.462	5.225	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cncc(F)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	759218578	ROXPFULEQQUGHD-PHBLLCOWSA-N	407.514	5.035	30	20	HKED	
COc1cc(F)c(C(=O)/C=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1OC	760270651	RYZOARZSXJGVNI-MDZDMXLPSA-N	417.436	5.190	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1Cl)C1CCCC1	761670009	LZGVOOIJTBQNTE-UHFFFAOYSA-N	401.869	5.358	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3cc4sc5ccccc5c4s3)CCO2)c1	762300553	SYDPZKGNZDJECY-KRWDZBQOSA-N	404.516	5.201	30	20	HKED	
Cc1cc(/C=C/C(=O)c2cc(Br)ncc2F)cc(C)c1OC(F)F	762422715	LLLDAZVIODGPDU-ONEGZZNKSA-N	400.194	5.098	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1	765104914	TYTGHEQPVFNSSV-UHFFFAOYSA-N	421.484	5.107	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)cc1	767224422	ZDBLCJVBRPZOAF-UHFFFAOYSA-N	424.529	5.157	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC2(C#N)CCC2)c(OC)c1	768094489	DIVXGQQTZTVZET-UHFFFAOYSA-N	418.493	5.022	30	20	HKED	
COc1ccc(CNc2ccc(OC(F)F)c3ncccc23)cc1OCCCC#N	770541069	TYOCGZIFSFDUPV-UHFFFAOYSA-N	413.424	5.139	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)cc1	777302532	OPVFVOJYEOODFR-YWZLYKJASA-N	418.880	5.050	30	20	HKED	
CCCCOc1ccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)cc1Cl	786133067	ULOJLLHHNATDQX-OAHLLOKOSA-N	401.894	5.131	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)on2)c1	789929365	NWAKGDOIOBRNTD-LJQANCHMSA-N	411.383	5.209	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1	792927090	ULGCOUHEQGRFOI-CCEZHUSRSA-N	421.928	5.247	30	20	HKED	
CC(C)(C)c1ccc(N2CCC(NC(=O)C[C@@H](CC#N)c3ccccc3)CC2)cc1	793161529	FYQHDXDWSJGEEK-OAQYLSRUSA-N	403.570	5.157	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1cccc(OC(F)(F)F)c1	795138824	KAOKAVAVBKVQFL-UHFFFAOYSA-N	412.481	5.138	30	20	HKED	
Cc1cn2c(/C=C/C(=O)c3ccc(OC(F)F)cc3OC(F)F)c(C)nc2s1	797028866	SRCDDHRTGLMVCL-AATRIKPKSA-N	414.380	5.112	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)N1CCC(F)(F)CC1	797629692	MLPOWYPJCGAPMZ-UHFFFAOYSA-N	422.341	5.623	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CN(c1ccc(C(C)C)cc1)C2	798019211	RHTVONUCOWNHRM-NLFFAJNJSA-N	419.569	5.433	30	20	HKED	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCCCC5(C#N)CCOCC5)(C4)C2)C3)cc1	800098592	ADDWQTFTDXRHPD-AZZUFQGZSA-N	421.581	5.477	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)COCc3ccccc3)n2)cc1	800386911	NIMKFIHDWZIJMB-FQEVSTJZSA-N	420.534	5.238	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)COCc3ccccc3)n2)cc1	800386912	NIMKFIHDWZIJMB-HXUWFJFHSA-N	420.534	5.238	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1	806234279	HSGAWPSUGHHVDH-UHFFFAOYSA-N	414.505	5.079	30	20	HKED	
Cc1c(-c2nc([C@H]3CCCN3C(=O)OC(C)(C)C)no2)sc2ccc(C#N)cc12	813892190	SFOADUIHKRMVMD-OAHLLOKOSA-N	410.499	5.203	30	20	HKED	
Cc1c(C(=O)Nc2cccc(OCC#N)c2)sc2ccc(Br)cc12	814311126	JLWFYLIAYHDJMB-UHFFFAOYSA-N	401.285	5.127	30	20	HKED	
N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)nc1	814484960	RAZVMLJQUZDILC-NRFANRHFSA-N	412.453	5.054	30	20	HKED	
COc1ccc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2c1	815909623	DNYZISKFOJWYDR-IBGZPJMESA-N	413.260	5.116	30	20	HKED	
C=CCOc1ccccc1-c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	904478278	BWMAUJKGKGIREN-UHFFFAOYSA-N	408.461	5.366	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc(F)c(Cl)c1)c1nc(-c2ccccc2)cs1	913202792	BXCHVQVGMPNBLG-CQSZACIVSA-N	402.903	5.571	30	20	HKED	
CC(=NNc1ccccc1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1	914695149	HECKYSRHAMIUKB-UHFFFAOYSA-N	421.360	5.002	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C4SCCS4)cc3)n2)cc1	915102417	YIUXMSOCGQYDBK-GOSISDBHSA-N	422.600	6.087	30	20	HKED	
C[C@H](OCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	915352924	PDPQIGYGZAFJDH-NBGIEHNGSA-N	413.521	5.631	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccccc2OCc2cccnc2)ccc1OC(F)F	915983814	AQMYAFDPDRKCHU-NTMALXAHSA-N	411.404	5.167	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccccc2OCc2cccnc2)cc1Br	915986181	YYKBBSFBSWENPO-NTMALXAHSA-N	424.294	5.328	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc3ccccc3n2)cs1	916286839	XEORCAADBUILAR-UHFFFAOYSA-N	421.913	5.475	30	20	HKED	
Cc1ccc(OCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917044385	SPYRUKFTBAXGEE-HNNXBMFYSA-N	418.440	5.577	30	20	HKED	
C=CCN(Cc1ccccc1F)Cn1nc(Nc2cccc(OC)c2)sc1=S	918181476	IZQMYEMLEWCIKJ-UHFFFAOYSA-N	416.547	5.211	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	921131567	LJVFECITNFOESH-IAQYHMDHSA-N	406.404	5.509	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3S)CCC2)cc1	1789622262	HFDHBHQYGJZLND-UHFFFAOYSA-N	423.582	5.110	30	20	HKED	
C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1	1792126177	BCCHCXGCFRMXML-RNISTEOTSA-N	401.510	5.028	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1	1829066630	OFZUZQWNIWSVGC-GOSISDBHSA-N	420.981	5.159	30	20	HKED	
Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)cc1	7111512	SWWHRBQJMFDBJN-INIZCTEOSA-N	407.930	5.432	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)no2)nnc1-c1ccc(Cl)cc1	10240281	MEOZCOWCBDZKJZ-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1	22695373	WPUTWEOKHNHPFO-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccs2)c1)c1ccc(C(F)(F)F)cn1	41552112	BMYCPROBBCNGSU-KRWDZBQOSA-N	402.397	5.231	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cc1csc(COc2ccc(Cl)cc2)n1	63750777	DWRGMKCTJZRLOK-UHFFFAOYSA-N	411.958	5.658	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1OCC(=O)Nc1ccccc1	211710367	XOXOSWWOFMXTKU-BENRWUELSA-N	421.518	5.369	30	20	HKED	
N#CCN(C(=O)c1oc2ccccc2c1CSc1cccs1)c1ccccc1	215737020	UOBLTCBJPREVHQ-UHFFFAOYSA-N	404.516	5.957	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2o1	216508097	UDUVBSKLCZKDLL-UHFFFAOYSA-N	412.902	5.130	30	20	HKED	
COc1cccc(-c2nc(/C=C/C(=O)c3ccc(OC(F)F)c(OC)c3)cs2)c1	301492193	DGTJMDWUHXLMCV-BQYQJAHWSA-N	417.433	5.325	30	20	HKED	
COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC	301757067	ADKYGJPOLHYHJV-KQEHZQRSSA-N	424.909	5.370	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2ccc(OC)c(Br)c2)cc1Cl	303161221	HQNMHAROIFPPAK-CYBMUJFWSA-N	410.739	5.527	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1	303538220	HJVGXYMDBWWYFN-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
CC(C)(NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(F)c1	303922869	WECDWFJSPQBJQC-UHFFFAOYSA-N	416.456	5.006	30	20	HKED	
COc1ccc(/C=C/C(=O)c2c(Cl)nc3sccn23)cc1OCc1ccccc1	303960297	ZELBKSNTPWMQJZ-VQHVLOKHSA-N	424.909	5.533	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](Cc1nc(C)no1)c1ccccc1	429622065	MVOOPLCLSSTYSO-OAQYLSRUSA-N	404.514	5.335	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1	430608458	FKXIDRVBFGHWPR-UHFFFAOYSA-N	405.435	5.255	30	20	HKED	
N#CCCn1cc(CNCC2(c3ccc(Cl)cc3)CCCC2)c(-c2ccncc2)n1	433332333	UVSIEODCJJAQFV-UHFFFAOYSA-N	419.960	5.114	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433614677	AEVRAFOMHMYWCA-QFYYESIMSA-N	422.344	5.692	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N[C@H](CCC#N)c3ccccc3)s2)cc1	439675918	UYSCBYKORHHVQO-HXUWFJFHSA-N	405.523	5.292	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccccc1	440246656	RUPQPBYLIOMABD-HXUWFJFHSA-N	401.432	5.424	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@H](C)c1ccc(Br)s1	443328968	AGBXGLOITGQTQS-GFCCVEGCSA-N	411.390	5.078	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c2ccccc21	444320836	RYMUPAAUYCLVBN-UHFFFAOYSA-N	411.387	5.092	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1	461100889	BSYRUEJTFOHBRN-ULQDDVLXSA-N	413.226	5.497	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccccn2)cc1	461103420	STUZYLHEAPVHKQ-QGZVFWFLSA-N	403.507	5.165	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C#N	462261685	WDUYWGBGBXLIDC-HNNXBMFYSA-N	416.955	5.225	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1	463745328	KVQOHCMAGKFQIG-AWEZNQCLSA-N	404.495	5.118	30	20	HKED	
Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)CSCc2ccc(C#N)cc2)c1	466621512	YFBKDKGLICEFSG-UHFFFAOYSA-N	421.953	5.382	30	20	HKED	
Cc1occc1-c1nnc(SCc2cc(F)ccc2C#N)n1Cc1ccccc1	469101316	ZTCSELKXIAAEKN-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1	473670473	KVLGDQOEAQIQBW-UHFFFAOYSA-N	420.900	5.073	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1	475570991	KQVHVYXVZPCPBR-OAQYLSRUSA-N	400.563	5.121	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1	476124250	STAHLVWHMZPGMZ-UHFFFAOYSA-N	410.464	6.043	30	20	HKED	
C=CCN(C(=O)c1cnc(Cc2ccccc2F)s1)c1nc2c(s1)CCCC2	476660838	DGFOAYNWTWCBJR-UHFFFAOYSA-N	413.543	5.041	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1	479499286	NUFFPNUBPBUUTP-UHFFFAOYSA-N	414.530	5.435	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1C)c1ccc(F)c(F)c1	480613016	RVLQTHNKHDRFKD-NRFANRHFSA-N	415.484	5.098	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(SCCC(=O)OC)c1)c1ccc(F)c(F)c1	480968073	XAMPNMDRBWCGMX-HXUWFJFHSA-N	420.481	5.059	30	20	HKED	
CCOc1ccccc1Oc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cn1	481913653	GQDUKKUHHLTXLO-QHCPKHFHSA-N	413.521	5.702	30	20	HKED	
CN(Cc1ccccc1F)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482331109	VVBIQXIDKCPNOB-OAHLLOKOSA-N	408.317	5.290	30	20	HKED	
C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1cccc(OCCCC#N)c1	482979646	CAXJAKCKOCXFJC-SFHVURJKSA-N	415.493	5.166	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nccc2ccccc12	483194330	GXJWEXOYPJSHEH-GOSISDBHSA-N	420.440	6.055	30	20	HKED	
Cc1cc(Br)c(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Cl	487515142	OEDOEUPTNQXKNI-SFHVURJKSA-N	405.723	5.576	30	20	HKED	
C[C@H](NC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(C#N)cc1	489838470	IYPFHZGGPARUPL-ZWKOTPCHSA-N	417.484	5.398	30	20	HKED	
CCn1c(NC(=O)c2ccc(C)nc2Sc2ccccc2)nc2cc(C#N)ccc21	490797016	TVVJQXHPRZBKCF-UHFFFAOYSA-N	413.506	5.035	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1	493602543	OFMYSTLJBXJCKH-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1CCCc1ccccc1	494049240	MZECMMRCYFOFKU-TZIWHRDSSA-N	407.583	5.958	30	20	HKED	
CCC(C)(C)[C@H]1CCc2nc(NC(=O)N(CCC#N)Cc3ccccn3)sc2C1	495476325	QPCUTWMBBVGQHM-INIZCTEOSA-N	411.575	5.027	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CC#N)c1ccccc1	495491223	UCRBXIJLSUWXOI-OAHLLOKOSA-N	411.914	5.173	30	20	HKED	
Cc1ccn2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2c1	501013968	HCMAVTGXVHVSDU-LJQANCHMSA-N	400.869	5.204	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)n1	501343979	UOPICTZMCHYKCF-NRFANRHFSA-N	412.518	5.162	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3F)C2)cc1	501592290	AKUVFPGHEZOHBK-UHFFFAOYSA-N	414.505	5.529	30	20	HKED	
CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccc(C(C)(C)C#N)cc1	502392098	MREJERHMYBHXOM-UHFFFAOYSA-N	401.894	5.200	30	20	HKED	
N#CC1(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CCCCC1	503334798	HQHSLFOOQZYBTH-UHFFFAOYSA-N	400.276	5.049	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1	505046451	UBSYTCKLMURZGQ-HXUWFJFHSA-N	424.545	5.411	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Cl)c1	506345804	LOQWXWMWGRWXCY-CQSZACIVSA-N	416.930	5.344	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2)c1	511694825	HFFCNAORTNSLPD-QGZVFWFLSA-N	415.518	5.585	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)c1ccccc1-c1ccccc1C#N	512483859	NXMFRMOJMSOYHO-UHFFFAOYSA-N	400.478	5.665	30	20	HKED	
Cc1ccc(C)n1C1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1	512615744	XLBWOZXEIHGNTH-UHFFFAOYSA-N	413.521	5.033	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)c(C)c1Cl	513676581	HKPQZHGYCCVEMH-MRXNPFEDSA-N	406.898	5.242	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cs1	513695459	FONTUGONTJSHNH-INIZCTEOSA-N	421.572	5.844	30	20	HKED	
CC(C)N(C(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N)C(C)C	517460567	LAJJITUWNUJEOT-CQSZACIVSA-N	401.498	5.157	30	20	HKED	
N#C[C@H](NC(=O)CCCCc1nc2ccccc2s1)c1cccc(Cl)c1Cl	518709452	YHOLZBLSDRLALY-INIZCTEOSA-N	418.349	5.697	30	20	HKED	
C[C@H](Nc1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl)c1ccc(C#N)cc1	518716211	GDNPUVJJKAMQPH-NSHDSACASA-N	419.699	5.237	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1Cc1ccccc1	519069256	FAOSTPJAFZITRB-UHFFFAOYSA-N	413.521	5.600	30	20	HKED	
N#C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	520271521	UGXHATDUMDWITJ-OAHLLOKOSA-N	419.255	5.485	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2c(C)cccc12	521259635	SKHUOMLVQROVMM-AWEZNQCLSA-N	408.429	5.941	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc2ccccc12	521734248	MCYMRABUHYTWQD-QGZVFWFLSA-N	406.576	5.963	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	522533352	IEYOCFKDVKPCAN-WOJBJXKFSA-N	420.434	5.621	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)c1ccccc1	535500991	QUTUZPRLRLZEGY-IBGZPJMESA-N	406.526	5.010	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2c(Br)cccc2Br)cc1	537508394	LTOKZBBXWHQOEV-UHFFFAOYSA-N	422.120	5.265	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(c3cccc(F)c3)C3CCOCC3)c2)cc1	539665506	CNRDWZGRRZQAOW-UHFFFAOYSA-N	416.452	5.315	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](Nc2cccc(OCCCC#N)c2)CCC3)cc1	540727062	GATWURKMVCVCEJ-NRFANRHFSA-N	419.550	5.991	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	543322036	XRRQLDNMTKYTHG-UHFFFAOYSA-N	418.522	5.066	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)c(Cl)c1	543860629	BTJBWLHJXZMTDP-LBPRGKRZSA-N	412.864	5.967	30	20	HKED	
C=CCC(CC=C)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	546320240	IJWADCAJZLTVMJ-UHFFFAOYSA-N	413.521	5.762	30	20	HKED	
N#CCCC[C@@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccccc1	552311797	ALQBPURLTMYIAW-LJQANCHMSA-N	416.377	6.642	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC[C@@H](C(F)(F)F)C1	552418169	NNNYBWJGXVHEFT-KBVBSXBZSA-N	407.276	5.404	30	20	HKED	
C[C@H](N[C@@H](C)c1ncc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1	569757515	QXQAHKBLCNQERF-GJZGRUSLSA-N	407.315	5.190	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1cccs1	572684342	AZVZZPBEUGXOHO-MRXNPFEDSA-N	412.584	5.168	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)ccn1	572892930	ZMNOIDNYWWCKGY-QFIPXVFZSA-N	402.429	5.254	30	20	HKED	
O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1c(F)cc(C(F)(F)F)cc1F	581341368	OYTRMINNGXRKHZ-UHFFFAOYSA-N	409.236	5.131	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-n2cccn2)c1)c1nc(-c2ccc(Cl)cc2)cs1	583864218	YXHHDLAFTOJKPR-GOSISDBHSA-N	404.882	5.139	30	20	HKED	
C[C@@H](c1ccccc1)n1c(SCc2cc(C#N)ccc2F)nnc1-c1ccccc1	603917223	GNKSLUCHYCZDAJ-KRWDZBQOSA-N	414.509	5.857	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3cccc4ccccc34)c2)c1	603995511	HVLGAAOECJGVFS-UHFFFAOYSA-N	405.457	5.145	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3ccccc3)CC2)cc1C	604450555	VCTOWBYKPIVEHU-UHFFFAOYSA-N	412.537	5.100	30	20	HKED	
CCN(Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1)C(C)C	604566814	VPRIWQNPVHWMSD-UHFFFAOYSA-N	414.509	5.228	30	20	HKED	
C=CCCCN(C)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1	605645461	CVQHMOYAMAUFMD-UHFFFAOYSA-N	415.331	5.048	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C2CCCCC2)n1	608847068	IVTRVTFNVGKJPR-UHFFFAOYSA-N	400.482	5.384	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)COCc3nc4ccccc4s3)cc2)c1	609426802	DLJGDVIAKYKGMQ-UHFFFAOYSA-N	415.474	5.116	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1	609526568	CCZPEAPZUXPYKA-UHFFFAOYSA-N	424.456	5.658	30	20	HKED	
C[C@@H](Sc1nc(O)c2c(-c3ccc(F)cc3)csc2n1)c1ccc(C#N)cc1	609813754	NHZXMSXCBWPLEJ-GFCCVEGCSA-N	407.495	5.928	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1C	610053908	XEBRZQKUQQEWTI-UHFFFAOYSA-N	416.481	5.481	30	20	HKED	
C[C@H](NC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cccc(C#N)c1	610357758	SSTPTHQEWNIYKY-HJPURHCSSA-N	405.448	5.181	30	20	HKED	
Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	610436116	XAZFPBSLEMDMRS-UHFFFAOYSA-N	420.778	5.307	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)sc2c1	611213099	HYMUKXSJVJCQHE-UHFFFAOYSA-N	406.898	5.055	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)c1	611356188	VCHITXMZIMNFSC-ROUUACIJSA-N	424.928	5.283	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)n1	673815515	WCMWJBMQGSXNCA-ZDUSSCGKSA-N	421.469	5.899	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1sccc1Br	728439958	IASOMBGSRSDSAE-NSCUHMNNSA-N	420.309	5.259	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)c2)cc1	728468976	DFIZIEFVQWNJDM-UHFFFAOYSA-N	421.500	5.852	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2nccn2CC(F)(F)F)CC3)cc1	728699391	TTZFKFBFFXOTMF-UVTDQMKNSA-N	403.429	5.090	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1	734934101	CXLZCAUBLXKHFA-OXJNMPFZSA-N	411.571	5.091	30	20	HKED	
Cc1c(C(=O)/C=C/c2cccc(OCC#N)c2)cnn1-c1ccc(Cl)cc1Cl	743056249	SAVNGUDEHKXSJD-VMPITWQZSA-N	412.276	5.286	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1	744038423	UKYQJCUAXYUMOS-MRVWCRGKSA-N	422.378	5.573	30	20	HKED	
Cc1cc(-c2noc([C@@H](C)ON=Cc3ccc(Br)cc3)n2)ccc1F	744445323	MNKWLFOJFIUIIK-GFCCVEGCSA-N	404.239	5.058	30	20	HKED	
COc1cc(COC(=O)[C@@H](C)c2cccc(F)c2)ccc1OCc1cccc(C#N)c1	745368279	GTRHEVPMZDPRQS-KRWDZBQOSA-N	419.452	5.132	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cc(C)ccc1F	749103292	VJSOGTJISYKOQV-UHFFFAOYSA-N	411.315	5.421	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1	752183163	CKYPMICUJKBSNI-DHIUTWEWSA-N	401.897	5.974	30	20	HKED	
N#Cc1ccc(CSc2nn(-c3ccccc3)c(=S)s2)c(OC(F)F)c1	753063296	XFTDTHWUWWZALI-UHFFFAOYSA-N	407.492	5.429	30	20	HKED	
C/C(=C/C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)c1ccccc1OC(F)F	753238088	GWLBIWSRYBNVMU-OWBHPGMISA-N	422.435	5.004	30	20	HKED	
Cc1cc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)ccc1Oc1cccnc1	758026957	TVBXABHIZQUMJK-XQRVVYSFSA-N	408.504	5.184	30	20	HKED	
C=CC[C@@H](NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccncc1	759449499	XIILQIFANULNBJ-LJQANCHMSA-N	412.946	5.018	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCC#N)c1cccc(OCc2ccccc2)c1	765115125	CJNOGOCMFDQMOT-SFHVURJKSA-N	402.519	5.372	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@H](C#N)C(C)(C)C)c(OC)c1	765630764	XJRRUBZVHDKQJH-JOCHJYFZSA-N	420.509	5.266	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2csc(-c3ccc(F)cc3)n2)S1	767887872	MGGZGAOULCLMTQ-YVLHZVERSA-N	409.511	5.458	30	20	HKED	
N#Cc1ccc2ncc(CNc3ccccc3SC[C@H]3CC3(Cl)Cl)n2c1	770421530	GRDJBTTXLAKARN-CQSZACIVSA-N	403.338	5.104	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CC3(CCCCC3)Oc3ccccc32)ccc1OC	772978321	FHPLOVHVNBPIDJ-IRLDBZIGSA-N	420.553	5.692	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3cccnc3)nc2C)ccc1OC	772986245	OOTUNCPAEMWEND-HNAYVOBHSA-N	422.554	5.054	30	20	HKED	
C#CCOc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	775940145	CWSCWGNEGWYCOR-UHFFFAOYSA-N	417.317	5.310	30	20	HKED	
CCN(C(=O)Cc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1)c1ccccc1	777629768	IKHUDVIHXCFZCU-GOSISDBHSA-N	401.485	5.466	30	20	HKED	
COc1ccc(C(=O)N2CCCCCC2)cc1N[C@@H]1CCCc2cc(C#N)ccc21	777671834	QGVUHFQKYXSNAU-JOCHJYFZSA-N	403.526	5.073	30	20	HKED	
C=CC[C@@H](C(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1	779379559	LMZLPMHNMDEXKZ-LJQANCHMSA-N	406.913	5.028	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cccc(Cl)c4o3)n2)cc1	783073367	ZKSATDSTHXGWLE-OAHLLOKOSA-N	403.850	5.571	30	20	HKED	
CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(C(=O)N(C)C)cc2)cc1OCC	792925953	ODNLWTAGOGSRCU-GHXNOFRVSA-N	415.917	5.125	30	20	HKED	
COc1cc(C=NOCc2nc(-c3ccc(C)cc3)cs2)cc(Cl)c1OC	795200233	RCHAKKNAAODZBJ-UHFFFAOYSA-N	402.903	5.340	30	20	HKED	
CC(C)(C(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1cc(F)cc(C#N)c1	795878908	AJISIVFNWWQWCG-UHFFFAOYSA-N	419.525	5.238	30	20	HKED	
C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	796640285	WGWAGUGSZCTSCQ-UHFFFAOYSA-N	409.942	5.117	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SC(F)F)CC2)c(F)c1	806151834	RAMABYAYYVCQOR-UHFFFAOYSA-N	421.444	5.087	30	20	HKED	
O=C(Cc1c[nH]c2cccc(Cl)c12)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	815999172	RYIQYYPKKUEOEF-UHFFFAOYSA-N	423.687	5.078	30	20	HKED	
O=C(C1CCN(c2nc3ccccc3s2)CC1)N(O)Cc1cccc2ccccc12	900091623	DRGFQVHXLJGJNI-UHFFFAOYSA-N	417.534	5.084	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3nc4ccccc4s3)n2)cc1	916973332	WJJCJCXHZUIEGU-SIFUEBAJSA-N	401.516	5.618	30	20	HKED	
FC(F)(F)c1cccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	918722000	RKEWSMCRFQCKFL-AOOOYVTPSA-N	424.332	5.465	30	20	HKED	
COc1cc(C(=O)/C=C\c2cn(C)nc2-c2cc3ccccc3o2)ccc1OC(F)F	920064869	MSGDCNLHQHIOFG-CLFYSBASSA-N	424.403	5.339	30	20	HKED	
COc1ccc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)cc1OCc1ccccc1	920065958	OVIHIWSOMMCIQK-PDGQHHTCSA-N	418.445	5.086	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1	920324644	SHOOQHXONKTFQE-QGZVFWFLSA-N	411.452	5.474	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1	920798659	JVBVZNXELYTTMV-XMMPIXPASA-N	421.928	5.332	30	20	HKED	
COc1cc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)ccc1Cl	1652764190	UWARANVEQFXHEC-UHFFFAOYSA-N	418.884	5.009	30	20	HKED	
CCOc1ccc(Oc2ccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)cc2)cc1	7243444	YUHHTBDSFWGVPS-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2)n(Cc2ccc(F)cc2)c1C	8474534	ATNYOMGBIUYNJD-UHFFFAOYSA-N	411.477	5.034	30	20	HKED	
CC(=O)N(c1nc(CSc2nc(C)cc(C)c2C#N)cs1)c1cccc(C)c1C	10266926	YCVIDQFKCNYULB-UHFFFAOYSA-N	422.579	5.620	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(CC)cc1)[n+]1ccc(C(CC)CC)cc1	22798700	JBGAFVHIXJFHGI-UHFFFAOYSA-O	409.619	5.545	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC(CCc3ccccc3)CC2)c1C#N	26060912	KRNBMIPPJLEMFA-UHFFFAOYSA-N	405.567	5.038	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)no2)nnc1-c1ccc(OC)cc1	29874951	WUVWMHKNLLDMPQ-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc21	58465163	ZOWBTUZIBIOIEA-INIZCTEOSA-N	418.547	5.148	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	72066927	IRGZUHIDNMYCMG-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc2cccnc12	217502056	SZEYUCRBGZZBRI-UHFFFAOYSA-N	422.941	5.537	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCc2cc(F)ccc21	303165812	IKBQFJDMURBPGX-DEOSSOPVSA-N	415.468	5.394	30	20	HKED	
Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	410289909	NHMHJMFWOBFZOH-NRFANRHFSA-N	420.900	5.105	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)COC3)cc1Cl	431557676	NSYALFHWIDLKKL-QFIPXVFZSA-N	417.896	5.347	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccccc1	432840578	CTHPHFBMVHAMPW-OAQYLSRUSA-N	406.511	5.279	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(OCC4CCCC4)CC3)c2)cc1	434164452	RJNXGKQQHBLKRM-UHFFFAOYSA-N	404.510	5.162	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)c2cc(C#N)cs2)n(-c2ccc(C)cc2)n1	437690165	YHBLNDINONUECO-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCCC[C@H]3c3ccccc3C(F)(F)F)o2)c1	439801239	MHXOITDACKQYOO-IBGZPJMESA-N	412.415	5.354	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1cc(C)no1)c1ccc(C(F)(F)F)cc1	441533788	KISGZAVZJPOJOS-QZTJIDSGSA-N	407.436	5.556	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2ccoc2c1)c1ccc(C(F)(F)F)cc1	443693188	ZFIRXSWLXBFXHW-GOSISDBHSA-N	416.399	5.214	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c2ccccc21	444145387	XQGRHMFXZXKDOO-UHFFFAOYSA-N	403.873	5.036	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1Nc1ccccc1	447701821	VYALASGLTMBUAE-UHFFFAOYSA-N	420.900	5.244	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)n1	464907238	FPFWWUVAJGWQEG-UHFFFAOYSA-N	413.886	5.039	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1	464940043	KGGDAOJIFWTAJV-LOSJGSFVSA-N	421.500	5.049	30	20	HKED	
CC(C)C[C@H](CCO)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	467619183	WQHHFGUAQZBAIB-KRWDZBQOSA-N	415.921	5.170	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)ccc21	469951081	UVGOIFPKHYWPRP-DNQXCXABSA-N	423.516	5.165	30	20	HKED	
COc1cccc(C=C2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1	473797109	HPBOPOKBZWNRRQ-UHFFFAOYSA-N	405.498	5.065	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cccc(C(F)F)c1	475967259	USYILUHKMNFXOP-UHFFFAOYSA-N	405.445	5.412	30	20	HKED	
C=CCN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1nc2c(s1)CCCC2	476671005	NFRZEDCEAQITSC-UHFFFAOYSA-N	413.543	5.046	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1	479519156	SNUMQJNNEVHYDM-JOCHJYFZSA-N	418.493	5.062	30	20	HKED	
CCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)[C@H](C)c1ccc(C#N)cc1	480118268	LMQAFMFDVDLVLR-VOBQZIQPSA-N	402.416	5.170	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3nc4cc(F)c(Br)cc4s3)cc2)CC1	481285737	MBGUCFDYFUCEAJ-UHFFFAOYSA-N	416.275	5.005	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	482011800	CSYMHEVJXHDUNA-UHFFFAOYSA-N	422.488	5.083	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1ccc(C(F)(F)F)cn1	483436654	GPTWZYLOSHSXNN-MRXNPFEDSA-N	407.351	5.399	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1	484262382	KNEBFQWAOWEPMO-UHFFFAOYSA-N	413.340	5.334	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1	485753058	OEQWOEZXIJATEG-UHFFFAOYSA-N	418.518	5.478	30	20	HKED	
COc1cc(SC)ccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	487462328	OMONVDUUDXBZCQ-UHFFFAOYSA-N	420.538	5.063	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c2cnn(C(C)C)c2n1	499492351	SDMVYXOBUPUCEX-DEOSSOPVSA-N	403.530	5.046	30	20	HKED	
C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nc(-c2cccs2)no1	501623793	MAJHYSYSNXPMTF-GFCCVEGCSA-N	420.519	5.667	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1	505028478	FFBNHRQBIBHGIE-UHFFFAOYSA-N	409.580	5.889	30	20	HKED	
C=CCCc1ccccc1NC(=O)NCc1cccnc1Oc1cccc(OC)c1	505061423	LEEHIJPYPIORTO-UHFFFAOYSA-N	403.482	5.323	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)c1ccc(Br)s1	505314907	RSEWYPVIQIYKCP-KCJUWKMLSA-N	418.143	5.302	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(F)c(F)cc1Br)c1cccc(Cl)c1Cl	505339947	XWYRAWWQUHVNHR-CYBMUJFWSA-N	420.040	5.029	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1	505927930	GFXRSWWKTCGZAA-ZOBUZTSGSA-N	412.333	5.209	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1	506915258	GITPVOFLGUGDQV-UHFFFAOYSA-N	421.888	5.069	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	510007217	TXFNOMRTHKSBLU-JOCHJYFZSA-N	419.912	5.668	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511411585	ASOHTRRACNWMJT-UHFFFAOYSA-N	421.447	5.274	30	20	HKED	
C[C@@H](C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1c(F)cccc1F	511724704	PIFMPUSLFUBFPG-PSLIRLAXSA-N	409.301	5.090	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2oc3c(C)ccc(C)c3c2C)cc1	511763472	TXDWHUPAHOOFAA-UHFFFAOYSA-N	402.494	5.425	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2F)cc1	512441761	KAVUXRWZVMGUGJ-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1	513740291	SSKDEDAUPXBGGN-CYFREDJKSA-N	406.526	5.226	30	20	HKED	
CCN(Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1)C(C)C	517492251	QILRHWXQUGUGFO-IBGZPJMESA-N	404.341	5.218	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC(F)F	518753647	WYIICKDUXYHGAX-CYBMUJFWSA-N	421.469	5.013	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C	520834051	RHZKATPSJBQIKF-OAHLLOKOSA-N	421.488	5.767	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2)c1	521791825	FEUQOXZMGCACQS-UHFFFAOYSA-N	416.452	5.177	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1	521811872	XMSUYGZEVSVLRT-QFIXIFRTSA-N	413.518	5.262	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)c(Oc3ccncc3)c2)cc1	522389904	NRVCQBCERLFOSO-UHFFFAOYSA-N	401.466	5.142	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1	524038715	SGGBCMOKMRPDNL-UHFFFAOYSA-N	409.445	5.089	30	20	HKED	
C[C@@H]1C[C@@H]1[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(Cl)cc1	525695048	KEYRGOOKJUGNTH-OUPRXKBMSA-N	404.945	5.604	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)c3c(F)cc(C#N)cc3F)s2)cc1Cl	531260938	NGCVRBVEVAYMNR-UHFFFAOYSA-N	403.841	5.098	30	20	HKED	
C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(-n2cncn2)cc1Cl	537012498	UEUCTTHDSSRFGA-QGZVFWFLSA-N	413.912	5.310	30	20	HKED	
Cc1cc(C)cc(-n2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2C)c1	537423623	RALCTVDYJHSZFL-SFHVURJKSA-N	404.539	5.444	30	20	HKED	
Cn1cc(CNCc2ccccc2Oc2cccc(F)c2)c(-c2ccc(C#N)cc2)n1	539796247	LTKAZTDOUJRIKC-UHFFFAOYSA-N	412.468	5.180	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1	540278477	BFQLUQZTZXBSKM-SANMLTNESA-N	418.500	5.209	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	541070678	MVIAIBHQOUBGLA-OAHLLOKOSA-N	417.896	5.328	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@H](c2ccc(F)cc2)c2cccnc2)CC1	542494325	LPMFYWWCAQQDKV-OOEPIQFGSA-N	401.485	5.162	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	542962624	QZYWBCMIZCQAAI-JLTOFOAXSA-N	423.879	5.151	30	20	HKED	
C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccc(-c2ccc(Cl)cc2)s1	543556137	HXPWGEHGKPMVID-GFCCVEGCSA-N	401.944	5.291	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1	543685271	UVTSEEFLDNFPEJ-OXJNMPFZSA-N	411.512	5.084	30	20	HKED	
N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)n2)c1	544018943	DDTXRPRIYWVQRY-UHFFFAOYSA-N	416.843	5.456	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC1CCCC1	544073730	FSQONHUHGIRVJZ-INIZCTEOSA-N	410.539	5.663	30	20	HKED	
N#C[C@@H]1CN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)C[C@H]1c1ccccc1	554157336	PRSHULWCAVHOFI-APWZRJJASA-N	408.910	5.464	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1	554887565	ZFOZCKOKMNPYGY-GOSISDBHSA-N	400.478	5.327	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccccc1OC(F)(F)F)c1cccc(Cl)c1Cl	565098944	VHOWUSGOLBAOQN-AWEZNQCLSA-N	417.214	5.206	30	20	HKED	
COc1cc(C[S@@](=O)Cc2cc(C)ccc2C)ccc1OCc1cccc(C#N)c1	570545967	BZWYBKGNOZCYMZ-SSEXGKCCSA-N	419.546	5.212	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	572389120	BTCTYPNGGUUZGI-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
C=CCn1c(SCc2cccc(C(=O)NCC(C)C)c2)nnc1-c1cccc(C)c1	589273174	GMEQZVPKSOHLGU-UHFFFAOYSA-N	420.582	5.118	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N(Cc1ccccc1)Cc1ccco1	601183397	DTQUQKNGZBFFQY-UHFFFAOYSA-N	407.473	5.309	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	603846985	VFMOOZWERDIVEM-LBPRGKRZSA-N	403.872	5.070	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1Oc1ccccc1	609049358	HRYGQEJZDYXOBO-UHFFFAOYSA-N	419.456	5.170	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2cccc(F)c2)CCC1	609060716	BWCUZMNTDNBCEN-UHFFFAOYSA-N	414.480	5.645	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1C(C)(C)C	609062181	DDYDSGFVGBAKJD-UHFFFAOYSA-N	422.916	5.303	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Cl)c1	609371351	VTFCYZIHMBPDGH-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@@H](C(=O)NCc1ccccc1)c1ccccc1	609387336	YCDUYNLJVRFVBI-NTKDMRAZSA-N	415.562	5.408	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3ccccc3OC(F)F)cc2)cc1	609498948	YIDTZDQIAQRUQV-UHFFFAOYSA-N	408.404	5.076	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1	609646530	DPPLALSJKIXUCE-QGZVFWFLSA-N	409.445	5.305	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(CC(F)(F)F)c2ccccc2)cc1	609786088	AOKMKXVAIFMDBO-UHFFFAOYSA-N	414.358	5.699	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cccc(C#N)c1	610357759	SSTPTHQEWNIYKY-MWTRTKDXSA-N	405.448	5.181	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1SCc1ccco1)c1cccc(C(F)(F)F)c1	611252369	RGECXJWMXPRESB-GOSISDBHSA-N	416.424	5.585	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1	612036817	RLHOEUHNNPKYIK-GOSISDBHSA-N	409.342	5.198	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H]3CCOC3)CC2)cc1Cl	612300599	TZCANSWRBMBITO-SIKLNZKXSA-N	423.944	5.276	30	20	HKED	
O=C(c1ccc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618297130	CHEHYQYJIGLYOH-QWRGUYRKSA-N	409.301	5.289	30	20	HKED	
C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	619755440	JOSFWEINGQUXQK-DNVCBOLYSA-N	402.897	5.149	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1	682822482	PLMBOQIRCDOHPA-UHFFFAOYSA-N	408.498	5.298	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc2cc(Cl)ccc2s1	726323005	VRDQWSJNLAZRFU-LBPRGKRZSA-N	409.725	6.066	30	20	HKED	
C[C@H](OC(=O)c1ccc(C(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	726666199	MZNAQFHWLOEKQA-LBPRGKRZSA-N	418.465	5.010	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(OC)c(OC)c2)CC3)cc1	727780319	KWYIMIOLJXSLTF-FOWTUZBSSA-N	407.491	5.048	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccnc3SC(F)F)cc2)c1	728032526	MTXLQVVJNSDEDP-UHFFFAOYSA-N	411.433	5.099	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1c(C)cccc1C	728062546	MLEAPCCNKJBHAJ-HXUWFJFHSA-N	413.521	5.502	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	728063881	ABXHNDQWSLGNAV-KRWDZBQOSA-N	404.436	5.503	30	20	HKED	
CCCCN(C)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1	730508072	IGAAWXHBGIEOEK-UHFFFAOYSA-N	403.482	5.219	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2-c2cccs2)ccc1OC	733619568	TXKQLCJBRDEJMI-KRWDZBQOSA-N	421.522	5.426	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCc2ccc(Cl)c(Cl)c2)c1	733775458	VYRGRSUWFVXENJ-KRWDZBQOSA-N	405.325	5.313	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1	733851900	MNTLTLDEVHVURW-HSZRJFAPSA-N	405.542	5.365	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)c1ccncc1	734455195	ASMDFHDOJHPUNH-INIZCTEOSA-N	402.420	5.078	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(Br)cc1Cl	735344125	FXTGBSDIJPCQJC-UHFFFAOYSA-N	415.070	5.015	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)c1=S	738285886	VGDDNRHPFTUTQE-SIKLNZKXSA-N	419.598	5.401	30	20	HKED	
Cc1sc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c(C#N)c1C	740774551	BIKKOJSNOTTYCE-UHFFFAOYSA-N	405.907	5.489	30	20	HKED	
Fc1ccc(CN(CC(F)(F)F)C(=S)NCc2cccc(C(F)(F)F)c2)cc1	741868585	VAVKKTASIPDQNP-UHFFFAOYSA-N	424.385	5.284	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)COC3)cs1	742438015	YZNGPUUJTCWLEM-YFHOEESVSA-N	404.491	5.062	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2ccc(OC)cc2c1C	744027852	BJTDKUMFICWVQX-LJQANCHMSA-N	420.534	5.304	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744028481	LDKFTBXQJMPLHI-LLLGYDHXSA-N	422.406	5.609	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(N2CCOC2=O)c1	745626743	QAJGKSFNFHXFBK-NTMALXAHSA-N	420.446	5.176	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCSc2ccc(Br)cc2)n1	747197013	VAOYUMQJRWFTCA-AWEZNQCLSA-N	409.374	5.388	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2ncc(C(C)(C)C)o2)cc1C	747695290	WKXWABLPRWBLGB-QGZVFWFLSA-N	420.513	5.284	30	20	HKED	
Cc1ccc(-c2cc(CON=Cc3c(C)nn(Cc4ccccc4)c3C)on2)cc1	748100484	PIDJRYYAUIKFMK-UHFFFAOYSA-N	400.482	5.062	30	20	HKED	
N#CCOc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1	749129945	DIGHRPCMKAOBOU-UHFFFAOYSA-N	417.465	5.185	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1	750396274	VPTWRMDIMITYLT-IBGZPJMESA-N	420.852	5.102	30	20	HKED	
C/C(=C\c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	759214596	YVAAVBVKNACOCR-SHQCLWGWSA-N	407.684	5.398	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)c2)cc1	759822395	JAZXULQINYPEDL-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1	760387901	ZTIRTZZIHVDYMI-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	766638121	VNGOKITUSWFIOQ-IINYFYTJSA-N	403.276	5.178	30	20	HKED	
N#CCCCCOC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl	767565083	ASAWRYOYXFIVJZ-UHFFFAOYSA-N	421.753	5.030	30	20	HKED	
N#C[C@@H](COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)Cc1cccs1	772743907	WWDOXISGRNRUMS-LBPRGKRZSA-N	424.469	5.235	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(C)cc(Cl)cc32)ccc1OC	772981211	XHUQBXAPHSQWOH-ICSRJNTNSA-N	414.933	5.342	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)s1	776337432	WMFNEYTWSVWCRX-UHFFFAOYSA-N	412.858	5.113	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1(C)C	783077324	OUFFVNLYEVUSAJ-OIISXLGYSA-N	400.931	5.281	30	20	HKED	
Cc1cccc2sc(C(=O)[C@@H](C#N)C(=O)NCc3cccc(Cl)c3)c(Cl)c12	786536403	AZZQEVNHNMYKKO-CQSZACIVSA-N	417.317	5.155	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccc(Br)cc1)c1nccc2ccccc12	792099750	JJCLTMXISBFTMQ-GOSISDBHSA-N	411.324	5.356	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc2c(c1)OCO2	796756717	OAFSOFBTTQVVKV-GWCFXTLKSA-N	418.396	5.024	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)CC(C)(C)O2	810175255	HNWYIWQEVQKXGD-FQEVSTJZSA-N	407.514	5.297	30	20	HKED	
N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1cc(C(F)(F)F)ccn1	813218431	OZHLCUMPKAXFBE-GFCCVEGCSA-N	407.442	5.069	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1	904717992	ZAGODGKHYDKIQJ-UHFFFAOYSA-N	418.497	5.229	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1	915085914	CUZPGJLJNLJIHL-IBGZPJMESA-N	414.490	5.025	30	20	HKED	
CCCCn1nc(C)c(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)c1Cl	915849106	YJQSXNHSWMLRNO-WJDWOHSUSA-N	402.951	5.153	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1	916577458	ZXBYSOJCNPFECZ-NHCUHLMSSA-N	409.411	5.767	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)cc1	916908889	GBQGCBIYOFMXME-JSNVTFDYSA-N	420.818	5.282	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2ccccc2Cl)o1	916916305	RESGDNXBWUYGTF-SFHVURJKSA-N	414.848	5.714	30	20	HKED	
CC(C)Cc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916927682	BHCFIYIMPGQEKW-KRWDZBQOSA-N	403.309	5.082	30	20	HKED	
COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1Cl	916974619	OELHTRJXOJIDMD-KRWDZBQOSA-N	410.926	5.590	30	20	HKED	
FC(F)(F)c1cccc(NC(=S)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	918722001	RKEWSMCRFQCKFL-NXEZZACHSA-N	424.332	5.465	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	919825731	TVXZHBCIUBQUMC-UHFFFAOYSA-N	408.417	5.167	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3cc4cccc(OC)c4o3)cs2)cc1	920063892	JXQTUBLJJRFUSE-WDZFZDKYSA-N	421.474	5.382	30	20	HKED	
CCn1c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nc2ccccc21	921117913	GAKKHKYWNNFPCZ-UHFFFAOYSA-N	411.465	5.042	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cccs3)cc2)CCC1	1788165772	ZUOYFCSGZOAWAZ-CCEZHUSRSA-N	406.551	5.089	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccco1	11309209	RZZBINNYJJMSDI-LLVKDONJSA-N	423.325	5.150	30	20	HKED	
C=CCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	18085174	LYWQHESVCBMGAM-UHFFFAOYSA-N	414.317	5.821	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(OCc3cccc(C)c3)c2)cc1	29205297	BSVLJJQQJYZXKF-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1	55823602	PMHUMUYZMMAVRQ-UHFFFAOYSA-N	411.288	5.891	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccnc1SCc1ccc(F)cc1	62905844	YPXTZZMMQWSUSB-UHFFFAOYSA-N	417.509	5.213	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(F)cc1Cl	72030893	ZBYPADAWPBCHAO-CQSZACIVSA-N	409.848	5.582	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4cccnc4)cc3)n2)cc1	149611895	GCWBVOHUGZWTCC-NRFANRHFSA-N	411.486	5.796	30	20	HKED	
CCCCOc1ccc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1OCC	207667840	DKHUUQPBSJQIQG-LUAWRHEFSA-N	409.482	5.117	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(O[C@H](C)C#N)cc3)s2)cc1	237477322	OWHLGDIRDHPKFT-CVEARBPZSA-N	407.539	5.269	30	20	HKED	
CCOc1ccc(-c2nc(COc3ccc(C#N)cc3OCC)cs2)cc1OC	248139719	QMTUDKXOQUATQR-UHFFFAOYSA-N	410.495	5.067	30	20	HKED	
N#Cc1ccccc1OCC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	303133057	CIEAIZSYLAQHLL-UHFFFAOYSA-N	413.408	5.055	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)c(C)c1	303168489	QTDJXRVMZOJYIC-KRWDZBQOSA-N	420.534	6.182	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl	303338450	XYBGAPJKWYPGHK-GFCCVEGCSA-N	411.379	6.118	30	20	HKED	
CCCc1c(NC(=O)C[C@@H](C)c2c[nH]c3ccccc23)cnn1-c1cccc(C#N)c1	427500325	UTPNPEMEGBZJNQ-QGZVFWFLSA-N	411.509	5.310	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C	428786785	ITOHDVANKDMVCT-UPVQGACJSA-N	419.569	6.004	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1nc2ccccc2n1C(F)F	431771445	WEBVQJNMEGSANR-RDJZCZTQSA-N	411.456	5.227	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(Br)c1	431964990	DWTGFUBXPOWDEM-IEBWSBKVSA-N	412.331	5.370	30	20	HKED	
N#CCCC[C@H](c1ccccc1)N1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C1=O	432027985	SKTVAIAZJAZEFK-QZTJIDSGSA-N	402.281	5.021	30	20	HKED	
COc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1OCC(F)(F)F	432708257	FVAATIILLGAKQZ-QGZVFWFLSA-N	421.419	5.193	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)n1cnc2ccccc21	437480599	WFBCXBPKGPIJNW-OAHLLOKOSA-N	400.413	5.039	30	20	HKED	
CN(CC[C@@H]1CCCCN1C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437769782	DVQASTHIYODETQ-UNMCSNQZSA-N	424.976	5.334	30	20	HKED	
CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	437887998	GNDOOLMFPFJPQQ-JTSKRJEESA-N	404.514	5.243	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	438035953	PKGQWVOBYCDLHU-SFHVURJKSA-N	415.493	5.454	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](NCc2cc(C#N)ccc2F)c2ccccc2)cc1Cl	439633726	MHXZZXYFMXKEMH-QFIPXVFZSA-N	407.876	5.129	30	20	HKED	
Cc1noc(C2CC2)c1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	444824917	IRXWGSLRXOWWTF-UHFFFAOYSA-N	402.454	5.150	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC=C(c2ccccc2C(F)(F)F)CC1	460390334	SFWGZZIDCJVFJN-IBGZPJMESA-N	418.463	5.018	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(C(F)(F)F)cc1	460867524	ADHUXADJQWVLKU-UHFFFAOYSA-N	417.456	5.049	30	20	HKED	
C=CCn1c(SCc2cncc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1	460881684	OVZMHCXLTAJJPJ-UHFFFAOYSA-N	410.852	5.491	30	20	HKED	
C[C@H](C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1cccc(C#N)c1	461788725	KQHZWRJWCGLFOA-AWEZNQCLSA-N	409.942	5.331	30	20	HKED	
COc1ccc([C@@H](NC(=O)[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)cc1	462132891	SHPUMPVNIOWSNE-WAIKUNEKSA-N	404.897	5.230	30	20	HKED	
Cc1nc(-c2cccc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)cs1	463840116	ZJPXYIIQNPOHKH-UHFFFAOYSA-N	417.534	5.110	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccoc1C(F)(F)F	464286825	RMYTWFUIXNEHKK-JTQLQIEISA-N	405.216	5.351	30	20	HKED	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2c1	464462908	QESFFEAWDSNSLW-SFHVURJKSA-N	409.411	5.633	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2Cl)cc1	466305494	DGMNCUPAWWIODG-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)o1	466849600	RZMHURILZJEBED-OAQYLSRUSA-N	420.440	5.206	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1	468768578	ARGMIBIGFJMZDY-INIZCTEOSA-N	415.522	5.233	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1	470535799	ASMYHUKNQATWPX-FQEVSTJZSA-N	424.932	5.196	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	474529513	ZFCURKIGXHIQRE-HSZRJFAPSA-N	405.929	5.265	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc(C3CCCC3)no2)cc1F	474761210	ZENIKRPVLYMGHW-UHFFFAOYSA-N	420.444	5.102	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(COC2CCOCC2)c1	475567491	XPADFNLCRWDFRP-UHFFFAOYSA-N	422.569	5.556	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1	475577194	CCKSUMJSXTWIQE-UHFFFAOYSA-N	404.554	5.974	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](c1ccccc1)C1CCCC1	476370345	QOQZMYXUAZOYPS-MHECFPHRSA-N	407.583	5.540	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cs1	477707996	NKWXWVXLZMHLRK-UHFFFAOYSA-N	410.502	5.986	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CC=C(c4ccc(F)cc4)CC3)cc2)nc1	479434790	BDXMWAQUIMWQNJ-JOCHJYFZSA-N	413.452	5.251	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCC(C(F)(F)F)CC1	482317943	JQIUIAPAJOVFKN-GFCCVEGCSA-N	422.291	5.293	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCN(C2CCCCC2)C1	483180466	KIVHLERPOCLXTP-QFIPXVFZSA-N	417.553	5.039	30	20	HKED	
Cc1ccc(C)c(N2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	483323332	IVVAHJDEIAGXDM-LJQANCHMSA-N	408.571	5.052	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(C#N)c(Br)c1	487935003	LVENOPNOTZCDAK-GFCCVEGCSA-N	421.364	5.434	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)o1	488438962	HEMXTJJMYJQDLS-UHFFFAOYSA-N	418.415	5.115	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nnc1-c1cccs1	489389165	JSNWFKRGZHAAKP-CYBMUJFWSA-N	416.597	5.034	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	495469279	DTKCHZPXWNVLLN-QGZVFWFLSA-N	413.587	5.056	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	497581163	AJSXTTCUDVOYSH-HNNXBMFYSA-N	406.507	5.519	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)c2)c1	497787154	SKADHTSQZGESJM-FGZHOGPDSA-N	404.416	5.158	30	20	HKED	
C=CCOc1ccccc1C(=O)N(CCC)CC(=O)Nc1cc(Cl)ccc1Cl	498287327	VFHXKHVQWLRULL-UHFFFAOYSA-N	421.324	5.049	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl	498423543	CXMAEMQRUHBSRO-UHFFFAOYSA-N	422.916	5.142	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1	505058596	XMPLRCCUMSKTHA-FQEVSTJZSA-N	407.562	5.383	30	20	HKED	
Cc1c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)ccc(C(F)(F)F)c1F	505978346	BOXJRAGKFHQOQL-UHFFFAOYSA-N	420.328	5.283	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(F)cc2C(F)(F)F)C(F)(F)F)cc1	506891394	FDRLZSJZPZIFCN-AWEZNQCLSA-N	410.289	5.278	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(CCC(F)(F)F)cc2)c1C	507532861	PYUGOTJYCNMWRG-UHFFFAOYSA-N	412.415	5.108	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCOc4c(-c5ccccc5)cccc43)CC2)c1	509062526	HKOWROBYCHJUTB-QHCPKHFHSA-N	412.464	5.036	30	20	HKED	
C[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccncc1F	512223429	DAYQQSMHTJIOTF-ZUZCIYMTSA-N	423.332	5.293	30	20	HKED	
COc1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc2ccccc12	512964670	SVQMFWPBAXSEFF-CQSZACIVSA-N	421.428	5.135	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1NC(=O)c1ccccc1	513207446	YZZNRCACLGBNQK-SFHVURJKSA-N	423.394	5.151	30	20	HKED	
N#C[C@H](C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1nc(-c2ccccc2)cs1	513616533	CQZOGUZUZHOMJF-OAQYLSRUSA-N	423.497	5.552	30	20	HKED	
CCSCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	516466282	ZMUKIDMLBRNECT-SFHVURJKSA-N	412.967	6.207	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C12CC3CC(CC(C3)C1)C2	518378200	WDAASNVTAUYQPV-UHFFFAOYSA-N	401.510	5.176	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)cc1	519977662	JUVQCOCJAYGJOW-UHFFFAOYSA-N	401.447	5.223	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C(C)(C)C)cs1	520195798	MHDOLZAOMIUBDI-OAHLLOKOSA-N	420.538	5.987	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc2ccccc2c1)C1CC1	520856413	DGVROWWWOOBPHD-SFHVURJKSA-N	415.562	6.288	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(CC2CCCCC2)CC1	520941258	HMARXUZETYEXOD-IBGZPJMESA-N	414.619	5.201	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(Br)cccc2[nH]1	521329904	SQIUJUZYVAENGR-LBPRGKRZSA-N	414.328	5.577	30	20	HKED	
CC(C)CN(CCc1ccccc1)C(=O)c1occc1COc1cccc(C#N)c1	523944391	KFKLYQBQCKMGLQ-UHFFFAOYSA-N	402.494	5.071	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)cc1	524239390	ZYJDOVHMWXFSMJ-OAQYLSRUSA-N	410.901	5.501	30	20	HKED	
C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524437471	NRHQVKNFLUENIL-QGZVFWFLSA-N	419.912	6.016	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccccc1SC1CCCC1)c1ccccc1	524445701	NVHIOZYPCLGPOR-UHFFFAOYSA-N	421.566	5.387	30	20	HKED	
Cc1cc(CN(C)C)cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	536219992	OTPOXMDQGSVCLV-UHFFFAOYSA-N	415.562	5.473	30	20	HKED	
CN(CCC(=O)Nc1sccc1C#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	539578338	HMWFKCNTFDYBBQ-MSOLQXFVSA-N	421.488	5.235	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1	541356096	ABLJTUWPUZTDAC-NRFANRHFSA-N	411.530	5.418	30	20	HKED	
C[C@H](CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nccs1	543335770	MUKKYSCIDNSZGJ-IAGOWNOFSA-N	404.539	5.188	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cccs2)o1)c1nc(-c2c(F)cccc2F)cs1	543986932	OVBHKXSKTXQSJK-NSHDSACASA-N	412.442	5.900	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	544247820	JZQPRIRJMDHIEB-LZJOCLMNSA-N	409.555	5.562	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2OC(F)F)c1	558101501	WYWPWAXEIALGGN-UHFFFAOYSA-N	414.795	5.858	30	20	HKED	
C[C@H](NCc1ccc(Br)cc1C#N)c1ccc(Oc2cccnc2)cc1	558167522	UMCTYYMFPKUNLS-HNNXBMFYSA-N	408.299	5.359	30	20	HKED	
COc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1OC	561243116	WFXMGTMWWKJYQL-KRWDZBQOSA-N	400.478	5.042	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1ccc(C#N)c(Cl)c1	565356354	HHJGGOLFFNJLNR-UHFFFAOYSA-N	410.882	5.288	30	20	HKED	
N#Cc1cccc(-c2cc(-c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)on2)c1	576027894	QDMKVAWXGXTWGU-KRWDZBQOSA-N	414.318	5.341	30	20	HKED	
O=C(N[C@@H]1CC[C@@H](F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	576304776	CEOZNBLLKOBNOX-BHWDJRKMSA-N	415.393	5.116	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccccc2CC#N)oc1-c1ccc(Br)cc1	579401523	PPRSVAWJXVKJES-UHFFFAOYSA-N	424.298	5.050	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc2o1	581394073	SUNIXXJMVRIHID-UHFFFAOYSA-N	418.497	5.072	30	20	HKED	
C=CCN(C(=O)c1cccc(C#N)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	589743027	ZAJSYCGYTZQMCH-UHFFFAOYSA-N	422.513	5.577	30	20	HKED	
C=CCSc1ccccc1NC(=O)COc1c(C(C)=O)ccc(Cl)c1Cl	589853981	WZANBBFBRXIOMF-UHFFFAOYSA-N	410.322	5.492	30	20	HKED	
Cc1sc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c(C#N)c1C	603444684	VFHPEBWFYHSNJG-UHFFFAOYSA-N	415.927	5.456	30	20	HKED	
COc1ccccc1OCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603673163	BIUCVHFNKSVMBE-IBGZPJMESA-N	406.869	5.022	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1	603737384	DYMSICXDVWESHC-UHFFFAOYSA-N	401.422	5.441	30	20	HKED	
N#Cc1c(NC(=O)COCc2nc3ccccc3s2)sc2c1CCCCCC2	603996038	CDSUGMWUVQOCEH-UHFFFAOYSA-N	411.552	5.044	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CC=C(c3cccc4ccccc34)CC2)c1	609080632	KUHGCQIOIIHUAK-UHFFFAOYSA-N	419.431	5.634	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	609475548	HWYUNQNJRVDAQD-QGZVFWFLSA-N	421.460	5.146	30	20	HKED	
COC(=O)c1ccccc1N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609722883	MQBFATPEBMDKLV-UHFFFAOYSA-N	420.852	5.067	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)ccc21	609764426	XWWVHBAMIWFSIS-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)nn1	609882264	ZIPYAKRBSMIAAO-HNNXBMFYSA-N	403.511	5.033	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cn2)cc1	610570581	GPVICKITNWOFKO-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H]3c3cccc(F)c3)cc2F)c1	611049185	KYRYJIFGMLZOMT-JOCHJYFZSA-N	419.431	5.394	30	20	HKED	
N#Cc1ccc(F)c(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1	612536415	RDUHABSRXTUFCC-MRXNPFEDSA-N	401.201	5.243	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NCc1nc(-c2cc(Cl)ccc2Cl)cs1	618741346	FBLQXYTTYJZHFM-GOSISDBHSA-N	400.334	5.766	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)s1	727058466	OYTJRLBULQQRSX-UHFFFAOYSA-N	405.932	5.038	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2csc(-c4ccccn4)n2)CC3)cc1	727655007	RGOPJXNCRPLEAJ-FOWTUZBSSA-N	415.543	5.850	30	20	HKED	
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(O[C@H](C)C#N)cc3)s2)cc1	728698708	MPCXJUXGEWHEFU-JVVDOCDTSA-N	424.913	5.127	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	729159658	BCVNIGGXSWPSMR-UHFFFAOYSA-N	403.507	5.947	30	20	HKED	
CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1cscn1	731420122	HMUMQBNCJUUBGA-FQEVSTJZSA-N	423.925	5.063	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCc3cc(-c4ccco4)on3)cc2)cc1	732377279	GIIWGEYFWUXCAC-UHFFFAOYSA-N	400.390	5.150	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3cc4ccccc4nc3Cl)cc2)nc1	732399798	YZPLVYZFFRHHAL-UHFFFAOYSA-N	415.836	5.304	30	20	HKED	
O=C(/C=C/c1ccc(-c2c(F)cccc2F)o1)c1ccc(N2CCC(O)CC2)cc1	734368660	WUZVFCFNNZPUDL-CSKARUKUSA-N	409.432	5.082	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2csc(-c3ccccc3)n2)cc1	734644565	RPXVBAZMBGVCLW-HSZRJFAPSA-N	424.529	5.787	30	20	HKED	
N#CCOc1ccc(Cl)cc1CNC1(c2cccc(Br)c2)CCC1	735309470	FMGYCHCBYWXRMV-UHFFFAOYSA-N	405.723	5.174	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2s1	741427829	MFNKHSZMTYRUOL-HZSPNIEDSA-N	402.397	5.175	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)C2CCC(c3ccccc3)CC2)c2ccccc21	745501694	ORFNXAHTTMJZLE-UHFFFAOYSA-N	414.505	5.255	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)co2)cc1	745931478	XNBDGSRWTHYJHY-XMMPIXPASA-N	422.488	5.627	30	20	HKED	
COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccc(F)cc3)c2C)ccc1OC(F)F	747116072	GTISKJWVJDWFFQ-KTKRTIGZSA-N	416.399	5.134	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)NCc1ccc(Br)cc1	747651310	RTHNYXZZEXWHNZ-CYBMUJFWSA-N	420.401	5.330	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	749004203	BDFZNMHWFPTLFM-NTCAYCPXSA-N	423.559	5.423	30	20	HKED	
COc1ccc([C@H](C)CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	750695068	XESFFNJAYPODIN-CJNGLKHVSA-N	412.461	5.467	30	20	HKED	
CO[C@H]1Cc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2C1	753049302	TWNOCIOCCSXGOP-QFIPXVFZSA-N	414.530	5.216	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	753397766	XIUGYZJMPUNILT-MGPUTAFESA-N	401.491	5.060	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	754296583	HNXUSJODRVTLAI-SFHVURJKSA-N	402.494	5.228	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(-c2c(F)cccc2F)c1	757409443	MRMQQHHPOBJJCG-QGZVFWFLSA-N	410.807	5.246	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cc(Br)ccc2F)cc1OCCCC#N	763120721	BDWBNGWENPTPNT-YWEYNIOJSA-N	418.262	5.175	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)nc1)c1nc(-c2c(F)cccc2F)cs1	772654411	ZEMTXLPNFVVJDU-FUEXJSSKSA-N	401.825	5.026	30	20	HKED	
CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C#N)c(Cl)c1	774149643	NGRXSTRPWNZPRT-UHFFFAOYSA-N	412.880	5.489	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	780175310	FAPXZYXTSKSKKB-LLVKDONJSA-N	418.305	5.660	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	780668907	GFVUCJZAFZCMGG-NDBYEHHHSA-N	423.357	5.008	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1	781092556	ZZKPIVSQVKQYFF-KMRXNPHXSA-N	406.592	5.178	30	20	HKED	
Cc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc2cccnc12	783698119	HGQVZTZZHJTAFJ-NVMNQCDNSA-N	421.934	5.474	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)n1C(C)C	787048783	IDSQOSABSAPISY-ACJLOTCBSA-N	420.340	5.193	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nccc2ccccc12	792094766	QPWXIABOUASJHZ-RPWUZVMVSA-N	418.452	5.179	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl	797187311	XLEKFDNXQZZMNF-KRWDZBQOSA-N	405.329	5.003	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(-c2noc([C@@H](C#N)CCc3ccccc3)n2)cc1	904719274	RHVVHYVAHQZCQF-HXUWFJFHSA-N	418.497	5.001	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1scnc1C	915112115	UPZLOQHUVYMLBZ-UHFFFAOYSA-N	413.568	5.244	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C	915179888	JPDQPPUZMARTLW-QHCPKHFHSA-N	406.489	5.397	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1Cc1ccccc1	915644836	VITONQYCPXIPNK-DEOSSOPVSA-N	406.489	5.148	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)c(OC)c1OC	916140427	TVPYIXYZOVWSCU-XFXZXTDPSA-N	414.404	5.363	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc3ccccc3n2)cs1	916286725	RCQHFPFXMOTPBG-UHFFFAOYSA-N	415.522	5.439	30	20	HKED	
Cc1[nH]c2ccccc2c1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl	916622001	WMHXMVKUUNJBRQ-UHFFFAOYSA-N	402.310	5.213	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2ccc(F)cc2s1	916944663	KMKMGZDOZHMMOL-CQSZACIVSA-N	407.253	5.308	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(F)c2)cc(Br)c1OC(F)F	917143957	ZBLZGRJDOAHOKE-WAYWQWQTSA-N	401.178	5.094	30	20	HKED	
Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1Cl	917845146	SIYXWXPZIIHDGT-UHFFFAOYSA-N	424.334	5.098	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(F)cc1Cl)c1nc(-c2c(F)cccc2F)cs1	920806851	RJBHLEJAKCNKCF-NSHDSACASA-N	422.815	5.136	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1	1821925966	FDYFLXCWNFKEJZ-VNYTWHDVSA-N	414.594	5.076	30	20	HKED	
C[C@H](SCc1ccc(C#N)cc1F)c1nc2scc(-c3ccco3)c2c(=O)[nH]1	9937884	OGEGBFDAVGIPCD-NSHDSACASA-N	411.483	5.250	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)o1	26193170	GMGKQQGOJNJVGC-CYBMUJFWSA-N	419.959	5.147	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(C)c2)cc1	28777532	XXBIBIDTFKMWFV-UHFFFAOYSA-O	417.598	5.939	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2ccccc2)cs1	41534103	JGNVKWKOSGREON-OAHLLOKOSA-N	410.882	5.115	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nc2ccccc2o1	41541235	WMRQQEMTAJHKGY-LJQANCHMSA-N	405.413	5.640	30	20	HKED	
CCOc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	63641720	LTBHSRLTVIXISQ-NSHDSACASA-N	411.811	5.068	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1	208017414	XQDPBBLYPKRHNA-TWQQJCIXSA-N	422.513	6.052	30	20	HKED	
Fc1ccc2nc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)sc2c1	428554646	SJPUKHASUYXUQY-CQSZACIVSA-N	422.369	6.238	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccccc1	431878825	COZHGWXZCBJSKA-IHPCNDPISA-N	401.432	5.296	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1	435353541	LMGRTVGZEUTNMF-UHFFFAOYSA-N	422.916	5.113	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccccc1	435602763	WXIRNWDPYVSQAG-QFIPXVFZSA-N	418.497	5.430	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[C@@H]1c1ccccc1	437860525	GKFMGVAMZXPZOV-KXBFYZLASA-N	417.431	5.157	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	438055702	YNZUVFOCHKPTGT-WOJBJXKFSA-N	422.598	5.209	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	439662009	CBKCMERTHDWYNE-QGZVFWFLSA-N	403.457	5.546	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1	443878155	AMEXFTVISRYEMY-LBPRGKRZSA-N	408.383	5.049	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)s1	443885347	YPWHJZXPRGWEJO-UHFFFAOYSA-N	418.453	5.291	30	20	HKED	
N#Cc1ccc(/C=C(\CC(=O)O)c2nc3cc(Br)ccc3s2)c(F)c1	448112312	DBILLXKTZCKMRO-WUXMJOGZSA-N	417.259	5.085	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccccc1C[S@](C)=O)c1ccc(C(F)(F)F)cc1	460229188	DEAABSNFMKHSKL-LBEKAKSKSA-N	424.488	5.413	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)Nc1ccccc1SC[C@H](C)C#N	463208308	WYNMSLNPQKVQMO-CVEARBPZSA-N	400.569	5.380	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1	463267131	PTMQPNJGVZJLGO-LJQANCHMSA-N	404.489	5.109	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1cc(C(F)(F)F)ccn1	464416474	CHEOKTHTYBYDFC-GFCCVEGCSA-N	409.161	5.099	30	20	HKED	
CC[C@](C)(NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1nc(C)cs1	464806608	FOWSKGIEGVLWOM-DEOSSOPVSA-N	421.566	5.326	30	20	HKED	
CSc1cccc([C@@H](NC(=O)NCc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1	465523478	UOOISDZKODPCEG-JOCHJYFZSA-N	423.488	5.147	30	20	HKED	
CC[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[C@@H]1c1ccccc1	470012966	LFQBTLZJDQTTJW-RDPSFJRHSA-N	414.505	5.386	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C2)cc1	470565818	NHUWRMXRDFBIPC-GHTZIAJQSA-N	400.478	5.057	30	20	HKED	
C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccsc2)O1	470692356	FUPLTNIWSOIXKP-OPAMFIHVSA-N	404.491	5.014	30	20	HKED	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccccc1C#Cc1ccccc1	473634884	AHKSDJQZRHHDMK-QTEAWJPNSA-N	416.546	5.049	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccc(C(F)(F)F)cn1	475041582	ZKUVIPWHSVHKQV-ZDUSSCGKSA-N	424.300	5.869	30	20	HKED	
CO[C@@H](C)c1nc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1	476938816	IFASCWDGBLHOFF-KGLIPLIRSA-N	421.613	5.117	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1	477534833	ABUKKPUECCUSSA-ZWKOTPCHSA-N	411.546	6.022	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1	478017593	JAWDKTJBVANKDH-UHFFFAOYSA-N	407.518	5.346	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1CCC(F)(F)F	481040240	SINQUAKMSPVUDQ-UHFFFAOYSA-N	402.869	6.117	30	20	HKED	
CCc1c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cnn1C(CC)CC	482724458	RVQXVEFPJPFCFA-UHFFFAOYSA-N	416.525	5.510	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1Cl	483207855	VOJODEWWIRODFB-KRWDZBQOSA-N	424.847	5.437	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(C(F)(F)F)c1	483436436	SWANQLISVJRNKF-WBVHZDCISA-N	420.500	6.622	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCCOc1ccccc1Br)c1ccccc1	487207802	IAEVDYOWCPRKQV-LJQANCHMSA-N	415.331	5.159	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	490650972	PBULNXCMFMLKRP-UHFFFAOYSA-N	405.306	5.871	30	20	HKED	
COc1ccc(CN[C@H]2CCc3ccc(-c4ccccc4)cc32)cc1OCCCC#N	495147524	PYPOKRQEYSMIAA-VWLOTQADSA-N	412.533	5.822	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	498472067	RQUBMCHGWVXMCR-QMTHXVAHSA-N	417.214	5.161	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1	500006590	QWGUWQFSQXKDEG-OALUTQOASA-N	401.535	5.786	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCCCc1nc2ccccc2s1	501018795	GYJNHRXHPQIETL-UHFFFAOYSA-N	415.518	5.707	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	501465270	DNDWHIXJGROLOV-UHFFFAOYSA-N	422.937	5.959	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC=C(c4cccc5ccccc45)C3)o2)cc1	501604048	YRFFKQHVKPZKJV-UHFFFAOYSA-N	420.468	5.423	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	502585045	ASAOMOLTQCMRIE-UHFFFAOYSA-N	420.856	5.606	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OCC)cc2C(F)(F)F)cc1	502635517	HXSKUSSBLGNEAX-UHFFFAOYSA-N	422.407	5.056	30	20	HKED	
CC(C)OCc1c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)oc2ccccc12	503898868	VXFKDLSPCMBIBE-UHFFFAOYSA-N	400.478	5.159	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1	505062065	PEMZTPBXXWDDPN-YADARESESA-N	408.542	5.252	30	20	HKED	
CC(C)(C(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(F)cc(C#N)c1	505929065	ZGRFQKUWTMNCHY-UHFFFAOYSA-N	419.481	5.161	30	20	HKED	
COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1C	510210326	QHWCDFVLMLYPQZ-QGZVFWFLSA-N	419.550	5.221	30	20	HKED	
Cc1oc(C(C)C)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	510824771	GFOOWSHZGUYTJJ-UHFFFAOYSA-N	409.873	5.463	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c1	514568684	WLMZISGWXPECJJ-UHFFFAOYSA-N	423.394	5.276	30	20	HKED	
N#Cc1ccccc1CNc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	515660822	JLZPMHNXVPFUEC-UHFFFAOYSA-N	413.374	5.581	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c1	515677652	OYPMLYJFCHSVKA-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1	516884408	XDHIWWWURNYDOH-DEOSSOPVSA-N	412.480	5.196	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)sc1SCC#N	518527150	MCWDUXPSXPRVLE-UHFFFAOYSA-N	424.482	5.123	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1	518582402	WGHHYXZLJQECDD-DEOSSOPVSA-N	415.468	5.280	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1nc2c(s1)CCCC2	520323526	IKWHDCCSSRUFNN-JKSUJKDBSA-N	406.473	5.363	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)[C@H]2CCc3ccccc32)cc1	521208164	GENKZBXOSSROMN-DEOSSOPVSA-N	417.553	5.432	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccc(F)cc1F	521723798	YNFJVOAQIFRILF-KBPBESRZSA-N	406.523	5.649	30	20	HKED	
CCCN(C(=O)c1ccc(C#N)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1	522110981	KZEMPHSLBZEJQU-UHFFFAOYSA-N	417.321	5.440	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cn1	522586315	IMEFHHBJEBUTMF-HNNXBMFYSA-N	408.889	5.272	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(CSC2CCOCC2)c1	524192961	AUKMWZSWCAERRY-UHFFFAOYSA-N	402.585	5.380	30	20	HKED	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	525653332	QZJZSUMUIVYYMK-AWEZNQCLSA-N	422.916	5.172	30	20	HKED	
Cc1ccc(C)c(Oc2ccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)cn2)c1	532669952	QAKDVMGWKRRKDT-JOCHJYFZSA-N	414.509	5.335	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1C	535463020	FPQTVUQASMXWCH-UHFFFAOYSA-N	412.489	5.125	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1	536886475	RPRIBANFPSLAFK-UHFFFAOYSA-N	420.472	5.083	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)NCc2ccc(F)cc2C#N)cc1OC	537074496	JIXNQSTUTZVKPZ-HSZRJFAPSA-N	404.485	5.097	30	20	HKED	
CCCCS(=O)(=O)Nc1ccc(NC2CCC(C#N)(c3ccccc3)CC2)cc1	538832804	MOWUVPADIZNRED-UHFFFAOYSA-N	411.571	5.044	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC(c4ccc(C(F)(F)F)cc4)CC3)o2)cc1	539097564	YGPLIXBNJUTXEK-UHFFFAOYSA-N	412.415	5.007	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccn2[C@@H](C)Cc2ccccc2)cc1	540219728	HYOFRRFAONWJCL-FQEVSTJZSA-N	401.510	5.251	30	20	HKED	
C[C@H](Sc1nnc(C(F)F)n1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	542102775	QFQQHTQRVSEQHQ-LURJTMIESA-N	405.314	5.644	30	20	HKED	
N#CCc1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1	542223917	ZMTXQBXLOSTDRQ-UHFFFAOYSA-N	404.470	5.084	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(OC(F)F)c3cccnc23)c1	547516728	XSAPAPZWLYMIDJ-UHFFFAOYSA-N	412.396	5.163	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4cccc5cccnc45)cc3)[nH]c12	552090283	FWBMWNBGAWMRIY-OAQYLSRUSA-N	402.457	5.577	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c1	553488222	FHGMGELLDIYGPW-OAQYLSRUSA-N	415.415	5.008	30	20	HKED	
CCCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)co1	558902575	RIUNKTWPLRMTCF-LBPRGKRZSA-N	406.294	5.547	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1	561150624	SRRVGXDZSBNMDK-SFHVURJKSA-N	418.518	5.748	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCC(=O)C[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	561572855	JBIUKZWALBEVAR-IUODEOHRSA-N	423.365	5.641	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Cl)c1	562577088	RUBKHHLANJKIEC-HNNXBMFYSA-N	406.873	5.147	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@H]1[C@H]1CCCO1	568690773	FTOUIPGWHDASFK-RTWAWAEBSA-N	410.901	5.034	30	20	HKED	
C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccccc1-c1ccccc1	585688333	KWMGLCVUWBPPHL-QGZVFWFLSA-N	413.546	5.618	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)CCCCCC#N	588546460	GJTKCVHWJIGMGA-UHFFFAOYSA-N	406.505	6.144	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1CCC(c2nc(-c3ccccc3)no2)CC1	589571889	GCCVWWJOUGFJLK-UHFFFAOYSA-N	415.884	5.194	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc(C)c1OCc1cccnc1	603627833	ZXLUZDJRDHKQOI-JOCHJYFZSA-N	407.473	5.316	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606805288	ANOKVIJNTUJOGN-JSGCOSHPSA-N	423.376	5.039	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)c1	609064276	ZFIPNLZQUXIYAY-MSOLQXFVSA-N	402.416	5.444	30	20	HKED	
CC(C)CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(C#N)cc1	609297930	NTPYAOMKIULNMV-UHFFFAOYSA-N	413.452	5.664	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccccc1-c1ccccc1	609378887	HJVRPZUDAWKNOX-KRWDZBQOSA-N	408.548	5.406	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](CN2CCCC[C@H]2C)C1	609845492	SXQKRBJVVWSRBO-AQNXPRMDSA-N	414.619	5.199	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2cccc(F)c2[C@H]1C	610017275	NFOXLUCDWRQINZ-QGZVFWFLSA-N	415.468	5.949	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2c1C	613404601	UFVHHTINXPLXPX-OAHLLOKOSA-N	413.424	5.903	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1	615630672	SXQWUTUOUXNEAN-AWEZNQCLSA-N	421.310	5.056	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	618745252	GBTSBQWSDVSXHV-QFIPXVFZSA-N	411.465	5.011	30	20	HKED	
CCc1ccc([C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	727953307	DQKZTVRIBINRFZ-UGSOOPFHSA-N	402.466	5.015	30	20	HKED	
Cc1nc(/C=C\c2cccnc2Cl)sc1C(=O)/C=C/c1cccnc1Cl	728698565	LANKPOLAKAURSK-FFELTBSMSA-N	402.306	5.615	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1cccc(OC2CCCC2)c1	729179638	RIOJVGVUNLWUIY-UHFFFAOYSA-N	413.521	5.076	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)c1	729416573	PXQGSFOHMKVOBD-UHFFFAOYSA-N	424.591	5.111	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1	731332066	CGAXIXDPZWRUBP-SZGUKTLCSA-N	404.457	6.142	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)CC(C)C	732214500	HLHWTZDDLDXQMY-GGAORHGYSA-N	412.537	5.333	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c1	733804666	HIHDBRLJEVBJBN-HNAYVOBHSA-N	419.447	5.289	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1Oc1ccncc1	734706063	NVMARGKENFCTJE-FQEVSTJZSA-N	409.445	5.177	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C3\CCc4cc(C#N)ccc4C3=O)c2)cc1	742437163	RQRHRLYMRIPOFO-FYJGNVAPSA-N	408.457	5.032	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	744034660	JQRBLXMABGKDJL-HFJQGTKSSA-N	404.922	5.544	30	20	HKED	
CSc1ccc(F)cc1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	745834988	RFZBJSPWUUCZSC-UHFFFAOYSA-N	411.527	5.147	30	20	HKED	
COc1ccc([C@H](C)C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	747631356	KHWLLXHJCMXLAX-CYBMUJFWSA-N	415.419	5.158	30	20	HKED	
CCN(C)c1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1	748442863	YQKAHQJZXCWGTD-XNTDXEJSSA-N	419.550	5.488	30	20	HKED	
O=C(/C=C\c1ccc(OCc2cccc(F)c2)cc1)c1ccc(N2CCOC2=O)cc1	748583822	ITXMMKHATYWENX-MLPAPPSSSA-N	417.436	5.257	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cc(C)cc(C)c1	749102770	QRDJNFIBXQRPGY-UHFFFAOYSA-N	407.352	5.590	30	20	HKED	
N#C[C@H](COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1ccccc1	750781822	CQWSJUMFNLDTJI-OAHLLOKOSA-N	416.424	5.368	30	20	HKED	
O=C(/C=C\c1ccc(-n2cncn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750915850	IOIKIVIJFIMSQG-UTCJRWHESA-N	411.305	5.201	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1C#N	752297098	JGXHYHVRQAPCJY-UHFFFAOYSA-N	414.465	5.038	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1SC(F)(F)F	752644153	ILCQQCFLYBQJNH-WBVHZDCISA-N	405.445	5.602	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)no1	756914036	MATKLSWKCCEHOA-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
CCN(CC)c1ccc(CN(C)C(=O)c2cn(CCCC#N)c3ccccc23)cc1	767477771	HMADNSRUIDFQIY-UHFFFAOYSA-N	402.542	5.063	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1	770527622	IILMSOFLAPNUSJ-HOCLYGCPSA-N	407.366	5.875	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)[nH]c12	770541814	GZQIRHGGJGMKGX-AHSSXEFNSA-N	403.791	5.347	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC=C(c2ccc(Cl)nc2)CC1	773254864	OPTKQBYXXXCCKW-UHFFFAOYSA-N	412.827	5.050	30	20	HKED	
C=C(CC)COC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	773455003	UJTHHUQZMLWLLD-CQSZACIVSA-N	414.552	5.195	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3ccc(Br)cc3n2C)cc1	776723158	BVWRJUNQWSROBD-RGZVIEDOSA-N	416.706	5.364	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)Nc2cccc(NS(=O)(=O)CCC)c2C)cc1	777653578	ZMAFZWDBAXAFTK-QGZVFWFLSA-N	422.978	5.451	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1	780676165	ZPHWBSRWXXHZLI-KDOFPFPSSA-N	414.303	5.109	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc3cnccc23)c1	782900438	JMEMQKDIAQWMAV-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c1	789299094	FHNSKPURSQOMKR-UHFFFAOYSA-N	412.276	5.139	30	20	HKED	
CO[C@@H]1CCOc2c(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cccc21	790570824	OPRUORBCZMDLAE-HXUWFJFHSA-N	419.506	5.078	30	20	HKED	
COc1cccc(/C=N/C[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1O	790573063	BZEFAINIRSHTKX-YTIGJDNKSA-N	414.855	5.099	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1ccccc1	793123233	JVSDOJOZDGLZDJ-IRXDYDNUSA-N	419.377	5.999	30	20	HKED	
C=CCN(CCC#N)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S	793573405	NGZJLIKKKCSFFG-UHFFFAOYSA-N	401.967	5.209	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	794223190	WCEMMDAPPPUTKW-PZJWPPBQSA-N	417.534	5.253	30	20	HKED	
Fc1nc(F)c(F)c(SCCCCSc2c(F)c(F)nc(F)c2F)c1F	795170740	HVAVMXRORGWMST-UHFFFAOYSA-N	420.350	5.254	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CSCc2ccc(Br)cc2)s1	797567654	AAADGAPRJSAJQZ-AWEZNQCLSA-N	423.401	5.313	30	20	HKED	
CCCCCCOCc1cccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1	800530280	JDYLUPQIJDFUKC-UHFFFAOYSA-N	420.557	5.268	30	20	HKED	
CN(C)c1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1	801662020	XAHVWFYSQULNDN-OAHLLOKOSA-N	408.317	5.440	30	20	HKED	
Cc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)c(OCC(F)(F)F)c1	804289390	CAOBMBNALQWCPI-UHFFFAOYSA-N	413.264	5.485	30	20	HKED	
C[C@H](O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1F	804790601	BUIXSYNMSXADBX-ZDUSSCGKSA-N	410.832	5.449	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	805859963	WKSAJLIIJTWNGO-UGSOOPFHSA-N	405.910	5.553	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nccn1-c1ccccc1	806201112	UJYFYGXHAAOZOJ-YADARESESA-N	421.504	5.410	30	20	HKED	
N#Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1Br	808871733	UWHVHUSKLRYQJV-UHFFFAOYSA-N	404.478	5.533	30	20	HKED	
COc1cc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cc(OC)c1OCC(F)F	809154081	MRWJLNKQIHBLPN-MBGMWABPSA-N	412.479	5.170	30	20	HKED	
COc1ccc(NN=C(C)c2sc(-c3ccccc3Br)nc2C)nc1	814910204	WUYKEQHCBBDJBX-UHFFFAOYSA-N	417.332	5.121	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915200008	RBRMOCDGYIQMNI-DEOSSOPVSA-N	406.489	5.397	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)c1	916137858	HJPPZOSUNDHLED-ZHACJKMWSA-N	414.292	5.342	30	20	HKED	
CC(C)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1	916917582	HSQZHUUKFJTHHW-VGOFRKELSA-N	400.478	5.078	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(CCCC)CC(F)(F)F)c1=S	917449613	FRKAZEBSPCZDAY-UHFFFAOYSA-N	402.461	5.028	30	20	HKED	
COc1ccc(C#N)cc1CN(Cc1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1	1307544807	KODLJAIBANQNGJ-UHFFFAOYSA-N	418.884	5.009	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1	1786464884	LILILUGGZFJYFM-LPHOPBHVSA-N	404.501	5.158	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccs3)cc2)CCC1	1788230282	LZXHKCMBECHVDW-OAQYLSRUSA-N	408.567	5.193	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1	1790257087	GJFVFRCCYMVGCX-QHCPKHFHSA-N	413.521	5.074	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1	1790318434	MOUDGRLHNOQDKS-UHFFFAOYSA-N	423.516	5.123	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1828823106	PGESBWWHXMOEOS-DNQXCXABSA-N	414.634	5.345	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1	7670429	RFFZAMYLZNDKIA-UHFFFAOYSA-N	404.278	5.006	30	20	HKED	
N#CCc1ccccc1C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1	25546287	HUVZQJYOVCMVGY-UHFFFAOYSA-N	402.397	5.252	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1COc1ccccc1)c1nc2ccccc2n1C(F)F	41557282	AQIZWSLWCZMHPY-LJQANCHMSA-N	417.415	5.500	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CSCC#N	41793129	IFBOFKNZHBNISV-RHSMWYFYSA-N	409.942	5.113	30	20	HKED	
C[C@H]1CCCCN1CCCCNC(=O)c1ccccc1Sc1ccccc1C#N	46988680	HPNRENZQQSPNGQ-IBGZPJMESA-N	407.583	5.094	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)c12	49656203	OGBMPOBDCKEKES-HNNXBMFYSA-N	402.498	5.148	30	20	HKED	
O=C(Nc1ccccc1)C(/N=N\c1ccc(Cl)cc1)=N\Nc1ccc(Cl)cc1	100401557	BKJHVRGBMDPYHI-SHQFVNCNSA-N	412.280	6.141	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)nc2ccccc21	195652732	JUWGQMRPLVJVJS-HXUWFJFHSA-N	415.880	5.296	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)c1	236899823	ZENLTRIRIADCRG-JOCHJYFZSA-N	402.542	5.141	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)ccc1OCc1ccccc1	237252742	VJMYFWGVLHSODM-WOJBJXKFSA-N	416.521	5.416	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1	237610757	SCUYONHWURXJBE-OAQYLSRUSA-N	422.532	5.179	30	20	HKED	
COc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(OCc2ccccc2)cc1	254866431	HYEYXKYIJUGUFV-UHFFFAOYSA-N	416.506	5.077	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	303760543	CLULDUSLCYRMMZ-QGZVFWFLSA-N	418.518	5.787	30	20	HKED	
CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1SC[C@H](C)C#N	428714342	ZDVIYRPQQVCRNE-GFCCVEGCSA-N	409.433	5.003	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1	429534783	GEBKNWNCRAHBEG-UHFFFAOYSA-N	420.460	5.232	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(-c3cccnc3)nc3ccccc23)s1	430622874	GAEZWWTXWQCUCK-GOSISDBHSA-N	412.518	5.541	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1	430633528	PZDMRDJPUPWBHK-INIZCTEOSA-N	416.506	5.376	30	20	HKED	
C=CCC(C)(C)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	431358142	KKPXPMXKJOWANH-UHFFFAOYSA-N	404.869	5.281	30	20	HKED	
COc1ccc([C@@H](NCc2cc(C#N)ccc2OC)c2ccccc2Cl)c(OC)c1	434888697	RXJXQCICKVAUNJ-DEOSSOPVSA-N	422.912	5.117	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1ccccc1	435296707	SWFOLBUDLIYYMD-HXUWFJFHSA-N	408.523	5.168	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1nc(C(C)C)c(C)s1	436453809	PUOKJHRTKYJZCT-UHFFFAOYSA-N	405.523	5.729	30	20	HKED	
CCCc1c(NC(=O)Nc2cc(OC)ccc2Cl)cnn1-c1cccc(C#N)c1	439225130	SKOWSLJNLRIVNU-UHFFFAOYSA-N	409.877	5.002	30	20	HKED	
C[C@@H](c1ccco1)N(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1	444393796	BZGNDVHVZXTCCA-SFHVURJKSA-N	415.493	5.682	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1	447059644	MDFHHCATZJBYJY-QZTJIDSGSA-N	408.571	5.564	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1	447059646	MDFHHCATZJBYJY-ZWKOTPCHSA-N	408.571	5.564	30	20	HKED	
O=C(Nc1cc(Cl)ccc1OC(F)(F)F)c1cc(C(F)(F)F)ccc1F	448549602	CUKMVYVVWOHHRG-UHFFFAOYSA-N	401.665	5.649	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H](C)c1sc(C(C)C)nc1C	460948809	ADECVJWOXQKUFH-BHYGNILZSA-N	403.596	5.037	30	20	HKED	
C[C@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(C#N)c1	461735276	GXNWKFPKXULISQ-FQEVSTJZSA-N	420.516	5.173	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	463747751	WEJCJXPYNJSATM-KRWDZBQOSA-N	419.699	5.136	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc2ncccc2c1)c1ccc(-c2cccc(C#N)c2)cc1	472118909	YSWCUCBDVZHLTO-GOSISDBHSA-N	406.489	5.334	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1	472851858	MBWGNTQVHWPFRA-UHFFFAOYSA-N	419.460	5.067	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)cc1	473790423	GGYNLFIBBPZJOM-HXUWFJFHSA-N	405.479	5.017	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1	477568238	CBOPGNQJVCHBNH-UHFFFAOYSA-N	401.510	5.040	30	20	HKED	
C=C(C)[C@@H](NCc1ccc(OCc2csc(C)n2)cc1)c1ccc(F)c(F)c1	479409299	JPQFVZWXDJTDKK-JOCHJYFZSA-N	400.494	5.716	30	20	HKED	
C[C@H](NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1	480251452	LCXSPMQIHQKLGF-YWZLYKJASA-N	401.432	5.575	30	20	HKED	
C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C)nnc1-c1ccc(C)cc1	481374004	NOJDDNNSKSPJDX-UHFFFAOYSA-N	412.584	5.157	30	20	HKED	
O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N(Cc1ccc(F)cc1F)C1CC1	482401337	OLJHKRXTKRBYMM-QGZVFWFLSA-N	420.328	5.221	30	20	HKED	
CCS[C@H]1CCC[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	483481097	HHFPQDOFSLPLRE-UNMCSNQZSA-N	423.582	5.517	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1	488317429	VKZYFDTXVMAAPX-NRFANRHFSA-N	410.473	5.176	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccn1	488896921	JWHYMSSCJZIVKP-INIZCTEOSA-N	418.526	5.046	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(-c2cccnc2)cc1	491131277	HTWKUBVRCYIIHP-LJQANCHMSA-N	403.485	5.778	30	20	HKED	
C=CCn1c(SCCCCCOC)nc2scc(-c3cccs3)c2c1=O	491898558	GXBBHFUHYWEHMW-UHFFFAOYSA-N	406.598	5.281	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1	494261157	CMISJNPOIUEFQS-INIZCTEOSA-N	408.571	5.235	30	20	HKED	
CCN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1	497618331	NQOOZYDZSBIROD-ZDUSSCGKSA-N	409.839	5.252	30	20	HKED	
Cc1onc(CC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)c1C#N	499850139	XPZNJLLUGQPJAQ-UHFFFAOYSA-N	420.227	5.274	30	20	HKED	
COc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1OC1CCCC1	503473893	BBOVCVWNHRQCDX-UHFFFAOYSA-N	421.541	5.008	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1sc2ccc(Cl)cc2c1C	503921918	SJRYIILDWJRJOB-UHFFFAOYSA-N	418.946	5.236	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)cs1	505249383	OVWZOHHNCRJCBI-AWEZNQCLSA-N	405.498	5.038	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)o2)cc1	505516660	ZXKFTENMFFJFAC-QGZVFWFLSA-N	414.292	5.271	30	20	HKED	
C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510009520	KDABZRKVYNGAMZ-KXBFYZLASA-N	409.942	6.282	30	20	HKED	
CCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)[C@@H](C)c1ccc(C#N)cc1	510138921	FVSJOSMUSABWEX-AWEZNQCLSA-N	413.308	5.274	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1	510246412	ZNZCDOVWNJZBNC-UHFFFAOYSA-N	419.462	5.298	30	20	HKED	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511416090	RFDQBUVOLPJHBJ-DVECYGJZSA-N	421.541	5.048	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1	513030039	BRQZGXNUSHLSAI-NUNAXRQHSA-N	412.489	5.281	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1SC1CCCC1	515283755	LCBPKWDQKJQDTI-UHFFFAOYSA-N	410.539	5.399	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1	517530184	KJRNFMZXRYWXOC-QUCCMNQESA-N	409.555	5.294	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1	520847044	USSREPQAGDSXRX-VWLOTQADSA-N	413.521	5.276	30	20	HKED	
C[S@@](=O)Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1Cl	524545311	UKPKBKZLKCYYOW-MUUNZHRXSA-N	408.910	5.009	30	20	HKED	
N#CCCN(CCC#N)C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	525068183	BSZIUCFRYQHVLM-UHFFFAOYSA-N	418.349	5.555	30	20	HKED	
C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](c2ccc(F)cc2)O1	525603747	CFGHACOAMRTWPH-OSPHWJPCSA-N	415.468	5.043	30	20	HKED	
Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)oc1C	531750988	GBBXLMJNNFWSMT-UHFFFAOYSA-N	405.401	5.087	30	20	HKED	
C=C(C)COc1cc(CNc2cccc(Cn3ccnc3C(C)C)c2)ccc1OC	532730615	YVSHCDKPPKHGJG-UHFFFAOYSA-N	405.542	5.630	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCc1nccs1)C(C)C	533590472	FNKARVLQZDKFPD-UHFFFAOYSA-N	420.538	5.601	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)c1ccccc1	533947259	RLWPFNKCHZDIHL-GOSISDBHSA-N	404.535	5.319	30	20	HKED	
CC1(C)CCC[C@H](c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)C1	534563992	XLRWSWNMMNNOIM-INIZCTEOSA-N	421.501	5.257	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1	536688573	BHUMSDCYJYTMKU-LBPRGKRZSA-N	403.429	5.833	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3COC(C)(C)C)n2)cc1	539146046	FCLQNNURFYTFGX-FQEVSTJZSA-N	404.535	5.924	30	20	HKED	
CCc1cc(=O)c2cc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)ccc2[nH]1	539749809	CHDMLMVTUHFGLY-UHFFFAOYSA-N	409.445	5.007	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccccc2C(C)(C)C#N)c2ccc(OC)cc2)cc1	540340956	GHGONUNNGVJKIR-AREMUKBSSA-N	414.549	5.579	30	20	HKED	
Cc1nnc(Sc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c(C)c2)s1	540732513	GTIPHNGXUNONJG-UHFFFAOYSA-N	406.536	5.114	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	541091757	NDIULROKQQDRFC-CQSZACIVSA-N	419.428	5.739	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C(F)F)c3Cl)o2)cc1	543506774	CBVXCABXANKPMU-UHFFFAOYSA-N	402.784	5.574	30	20	HKED	
C[C@H](NC(=O)c1cc2c(nc1O)CCCCC2)c1ccc(-c2cccc(C#N)c2)cc1	543917463	COPMMRLOTZMGAC-KRWDZBQOSA-N	411.505	5.086	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cc1	545394247	DHSLECLQDOBFQY-QGZVFWFLSA-N	424.928	5.002	30	20	HKED	
C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(c2c(C)[nH]c3ccccc23)CC1	549320173	MMYDKAAYEQBDCA-UHFFFAOYSA-N	412.541	5.090	30	20	HKED	
Fc1cc(C(F)(F)F)c(F)cc1CN[C@H]1CCCc2ncc(C(F)(F)F)cc21	554088331	MYDHKEZLQJRIJQ-HNNXBMFYSA-N	410.308	5.565	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@H](C)c1ccc(C(F)(F)F)cc1	554874101	OVQMTCWQVGLDPJ-ZDUSSCGKSA-N	404.819	5.658	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(O)cc1)Cc1ccco1	568791834	CNVWYTRUGSOIEU-KRWDZBQOSA-N	421.522	5.614	30	20	HKED	
CCc1cnccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	574240676	OITFBXWXBZVIQV-OAHLLOKOSA-N	402.306	5.564	30	20	HKED	
C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCCCO2)CC1	580966051	VUJSVZBTPIWXEC-OAQYLSRUSA-N	424.589	5.014	30	20	HKED	
C[C@H](N[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C#N)c1	586778341	UZFLIIZVRGQYOS-OLZOCXBDSA-N	409.839	5.298	30	20	HKED	
Cc1cc(C)c2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)sc2n1	603624233	XGAMJRNNQXYRCG-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCc2ccccc21	603956793	DCUMGYLWKPMHNS-JOCHJYFZSA-N	400.478	5.270	30	20	HKED	
C[C@H](SCC(=O)Nc1sc(-c2ccccc2)cc1C#N)c1nc2ccccc2[nH]1	603969393	PVJISKUQCWKHIX-AWEZNQCLSA-N	418.547	5.596	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c[nH]2)cc1Cl	609164841	XUTPYYPBWKODPE-MRXNPFEDSA-N	414.690	5.338	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)o1	609187666	SJYLATNERAVHHM-OAQYLSRUSA-N	418.468	5.107	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	609188321	IUHRNYWZVUDBIH-UHFFFAOYSA-N	423.504	5.550	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)c(F)c1	609262440	HMAHKWYMWYWWTK-NRFANRHFSA-N	412.436	5.125	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccncc3)c2)cc1	609988146	NLSUBHNVNGGQJI-VWLOTQADSA-N	404.473	5.216	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nccs1	610095543	XCWXLBHEDNOYOE-HSZRJFAPSA-N	420.538	5.349	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)nc2ccccc21	611211877	CCJBCVRLGQHJIM-QGZVFWFLSA-N	420.494	5.006	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1ccc(F)c(F)c1	681328735	JGZDSVOPCUIGEJ-JOCHJYFZSA-N	418.459	5.112	30	20	HKED	
CC(F)(F)c1cccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	682055579	RWMZQURIRQIIAC-GHMZBOCLSA-N	418.328	5.829	30	20	HKED	
C[C@@]1(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCCc2ccccc21	726322187	HEUDRCRXFLJGMQ-QVKFZJNVSA-N	414.452	5.786	30	20	HKED	
Cc1cccc(COc2ccc(C(=O)/C=C/c3cn(C)nc3-c3ccncc3)cc2)c1	727655233	UJUQZEJLELBMKJ-DHZHZOJOSA-N	409.489	5.266	30	20	HKED	
N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc2cc(F)ccc2s1	730420870	HVXSAZVTRALGPK-MRXNPFEDSA-N	405.454	5.290	30	20	HKED	
CCCc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)sc1C	731060919	NHFRCURHVFHJSM-AWEZNQCLSA-N	416.568	5.199	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(OCc3cc(Cl)ccc3OCC#N)c2)cc1	735303636	ZDVIKTHJGGLRGA-UHFFFAOYSA-N	406.869	5.382	30	20	HKED	
COc1ccc([C@H](NC(=O)/C=C\c2ccccc2C#N)c2ccccc2Cl)cc1	739657314	OQWNRXSGHFIMRF-INYRMVIESA-N	402.881	5.139	30	20	HKED	
COc1ccc(CN[C@@H](c2ccc(OC)c(OC)c2)c2ccccc2Cl)cc1C#N	742378231	ZSQCXPUFAQBDGL-DEOSSOPVSA-N	422.912	5.117	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	742537190	IAMVZWIAQUIPAI-VGOFRKELSA-N	400.453	5.329	30	20	HKED	
N#C[C@@H](C(=O)CN1Cc2ccccc2C[C@@H]1c1ccccc1)c1nc2ccccc2s1	744413008	VIDQEJNBKNOSAC-JTHBVZDNSA-N	423.541	5.272	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccccc2Cl)c1	744761895	RBQINVAHAJRWPH-UHFFFAOYSA-N	400.935	5.113	30	20	HKED	
CCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCc2ccccc21	746659543	KJWAHXBEORPCPA-IZZNHLLZSA-N	409.533	6.273	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)C(=O)c3cccc(F)c3)n2)cc1	747110220	PKFUOUZRTGBSHR-IFXJQAMLSA-N	422.481	5.043	30	20	HKED	
N#C[C@@H](COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)Cc1ccc(F)cc1	751836711	YWVDXWVJAHGECP-WGWNNVQWSA-N	409.423	5.200	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CON=C(c2ccccc2)C(F)(F)F)cs1	751963512	YXJHUEZMYBVJPS-UHFFFAOYSA-N	419.428	5.311	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1C#N	752241724	GCNIYGXHCAZDGL-UHFFFAOYSA-N	421.457	5.209	30	20	HKED	
Cc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1-c1ccc(F)cc1	756234241	UKOGGQWTHQEIDV-SFHVURJKSA-N	412.873	5.477	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN(C)Cc2ccc(Cl)nc2)c1=S	764876298	KCLRIDLXHWURDU-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)cs1	766696536	UDDXBTCDVCMIOC-LPKQHDGYSA-N	406.482	5.659	30	20	HKED	
Cc1onc(-c2ccccn2)c1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	767557191	FQLRXLXBJMCOBF-UHFFFAOYSA-N	423.472	5.102	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(OCc3cccnc3)cc2)c2ccccc21	767864707	PZBNQLPCVOHOHS-UHFFFAOYSA-N	410.477	5.171	30	20	HKED	
C=CCC[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	778560043	ZIXKUHKTHBPEHP-WBVHZDCISA-N	405.416	5.326	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4O[C@@H](C)C#N)cc3)o2)c1	780145273	GRCFQIDQJJBBKE-KRWDZBQOSA-N	424.460	5.255	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	781546107	AULNZHZZFKKWNC-GZTJUZNOSA-N	406.429	5.468	30	20	HKED	
CC(C)(CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)Cc1ccc(Cl)cc1	783072015	NRYCECHSRXLJJC-GOSISDBHSA-N	409.942	5.694	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)cc1	787614797	AKQUMPPADQMWCK-DEOSSOPVSA-N	409.489	5.187	30	20	HKED	
FC(F)(F)c1cc(Br)ccc1C=NNCc1cccc2cccnc12	794493325	DYLVNERLSRIOBP-UHFFFAOYSA-N	408.221	5.140	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1SCc1ccccc1	797672443	LZSFTRAXCKWIHZ-UHFFFAOYSA-N	407.926	5.555	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H](C)c1ccc(F)c(Br)c1	813153785	WFRVXEDTOAIKLZ-CHWSQXEVSA-N	405.267	5.011	30	20	HKED	
CCCCOc1ccc(C=NO[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC	818613068	DBEYEZCERIMGTP-LJQANCHMSA-N	412.530	5.177	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1F	915085938	QQJWMCRDKDGYTC-OAQYLSRUSA-N	410.452	5.228	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1	916906193	CNCOWZWQPPQPGW-FQEVSTJZSA-N	416.502	5.470	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1	918033578	COHTZVYXDHXUES-DQEYMECFSA-N	413.496	5.720	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(C)n1[C@H](C)c1ccccc1	918633922	GXMPKFCCNPAQBS-LJQANCHMSA-N	401.510	5.649	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	920110497	MNCFHSLBXXTUCF-FQEVSTJZSA-N	424.953	6.198	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(F)c4)CCOCC3)n2)cc1	920111385	VMFHISMAOHZAOF-HXUWFJFHSA-N	420.509	5.182	30	20	HKED	
Cc1cc(C)cc(CCn2c(CC3CCCC3)nnc2N(CCC#N)CC2CC2)c1	1611917464	ORSQHOBCLILSNJ-UHFFFAOYSA-N	405.590	5.000	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc[nH]3)cc2)CCC1	1788189570	GZPSYFBGFFZYAH-UHFFFAOYSA-N	407.558	5.074	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccsc4[nH]3)CCC2)cc1	1791253300	AQNNNFKDQVVDNF-HNNXBMFYSA-N	407.539	5.189	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1	6907744	GSICUEPWFASRJP-MRXNPFEDSA-N	406.555	5.187	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(C)c2C)cc1	10167818	LCKDHBJYDHHMIJ-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2)cc1	10170734	ZPQVFUFFOGWCRM-UHFFFAOYSA-O	417.598	6.101	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cc(C)cc(C)c3)o2)cc1	26497666	IOJRMGYBUSAVER-SFHVURJKSA-N	420.538	5.089	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	30271712	FZVMXMWDQYOLIE-INIZCTEOSA-N	415.518	5.159	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccccc1	42087235	BPMBJMBGYMASOI-ZDUSSCGKSA-N	416.909	5.043	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)oc1C	65089613	KGJDIPGLNVQYQH-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2oc3ccc(Cl)cc3c2C)cc1	65870105	JDKYJQDFLUMNOD-UHFFFAOYSA-N	408.885	5.461	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1	72074642	HXZKHRGWIFDGGT-INIZCTEOSA-N	412.449	5.582	30	20	HKED	
C=CCc1cc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)cc(OC)c1OC	108983520	UBZPADIUEUCJBU-UHFFFAOYSA-N	409.432	5.630	30	20	HKED	
N#CCc1cccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)c1	195609901	ZZOSVUUGJSWZKM-UHFFFAOYSA-N	423.541	5.766	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2c(C(C)C)noc2n1	195690077	LTTCQXUMRKYJJF-CYBMUJFWSA-N	410.886	5.408	30	20	HKED	
Cc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-]	213076124	BMJDRLZKSMWWDN-QXMHVHEDSA-N	410.433	5.047	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nc2sc(C)c(C)c2c1=O	253489348	DYLZAZMIDCQFPB-CQSZACIVSA-N	424.551	5.164	30	20	HKED	
N#Cc1c(Cl)nsc1Sc1nnc(Cc2cccs2)n1-c1ccccc1	301935997	UDJIRCKGXHJIFQ-UHFFFAOYSA-N	415.956	5.052	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	303227528	WSRXXNLNOPROOK-UHFFFAOYSA-N	415.880	5.234	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1Cc1ccccc1	303358082	GQTWZIFPCFCTAT-QGZVFWFLSA-N	403.551	5.657	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	303401105	RADBXNUEXFRWQV-UXHICEINSA-N	402.416	5.154	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)sc1SCC#N	303449297	JZOYNIHZWIGAIX-UHFFFAOYSA-N	417.462	5.390	30	20	HKED	
Cc1sc(NC(=O)c2cc(C(F)(F)F)ccc2Br)c(C#N)c1C	322393022	RCCGRYXBDZXVGH-UHFFFAOYSA-N	403.223	5.270	30	20	HKED	
COc1cccc(/C=C(\CC(=O)NCC2(CC#N)CC2)c2nc3ccccc3s2)c1	431144824	DKSNXLLYXXAJEY-QGOAFFKASA-N	417.534	5.046	30	20	HKED	
N#CCCC[C@@H](NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccccc1	433031282	IJZIJYTVRKAHKZ-RRPNLBNLSA-N	423.560	5.185	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1	435006046	UXHFYLNUHOABDG-OAHLLOKOSA-N	405.498	5.038	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c(C)c2)n1	435086045	SUTDBQYSZJXWBK-UHFFFAOYSA-N	405.548	5.453	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	436344361	OQVOCKRWRBYMQD-DNQXCXABSA-N	424.504	5.243	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)s2)cc1	437156759	QATFXRXWRXFHJC-HZPDHXFCSA-N	422.476	5.096	30	20	HKED	
C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438644821	CNZAONKBENFPSD-AWEZNQCLSA-N	407.470	5.702	30	20	HKED	
CC(C)COC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	438667953	VVLOLONNCWCMDH-UHFFFAOYSA-N	411.477	5.159	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cs1	438670609	LHFYXQYCXFWAKM-CYBMUJFWSA-N	410.474	5.391	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)c1ccccc1	438842681	QGVSPEHRUYVHIQ-VQTJNVASSA-N	418.324	5.121	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1	440936288	YMVIGGNTLAXHDY-UHFFFAOYSA-N	424.932	5.068	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1	442286887	VUJKRMZUWSLBFO-NHCUHLMSSA-N	423.523	5.373	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C4CCCC4)nc3C)n2)cc1	442668992	AOAVMKWWVLMASZ-QGZVFWFLSA-N	407.564	6.031	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@H](c3nc(-c4ccc(Cl)cc4Cl)no3)C2)n1	445462991	NGJDELVYNOQWTF-AWEZNQCLSA-N	414.296	5.003	30	20	HKED	
C[C@@H](C(=O)N(C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	464339950	UAAWWPRTRVEBSN-PXAZEXFGSA-N	414.349	5.443	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464412375	RUJKZLGOZCOVAH-GFCCVEGCSA-N	423.366	5.301	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)cc(C(=O)OC)c1	464484550	SNOZRRYEXZSHKX-UHFFFAOYSA-N	416.315	5.340	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	467615944	AKKSGRKPYHDZFT-JTQLQIEISA-N	415.334	5.593	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](c2ccsc2)O1	470741822	BJPXDOBISGWCPU-OYHNWAKOSA-N	422.481	5.153	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(Cl)c1	471821330	KQUUQCUZSNZSNS-OAHLLOKOSA-N	402.947	6.165	30	20	HKED	
COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)cc1OC	475539659	YPXHRVQXOFENHW-QFIPXVFZSA-N	420.553	5.132	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C[C@H](CC#N)c2ccccc2)cc1	476112710	RLGZDXNULFTYBG-RDPSFJRHSA-N	412.533	5.969	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1	476253551	WFTFJXSEGBYSDC-BJKOFHAPSA-N	418.537	5.127	30	20	HKED	
CC(C)(C#N)CCC[S@@](=O)Cc1ccc(Oc2cccc(Cl)c2Cl)cc1	476890738	NLZIMZLXOZSWCP-AREMUKBSSA-N	410.366	6.364	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](c1ccccn1)c1ccccc1OC)c1ccc(F)c(F)c1	477757846	XHJNJKALADXZFT-DHIUTWEWSA-N	423.463	5.074	30	20	HKED	
N#Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1F	478525433	BPYVWFKXHODCTK-UHFFFAOYSA-N	410.257	5.258	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccc(F)c(F)c1	480330756	GCUZFNXCJKJLCM-JOCHJYFZSA-N	409.436	5.378	30	20	HKED	
CC(C)CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCCc2cccnc21	480636508	PHLRFCDKILNQLG-SFHVURJKSA-N	414.456	5.122	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CCCC[C@H]1c1ccccc1	484628276	YKVZVHHRQSXHPP-HLAWJBBLSA-N	407.583	5.193	30	20	HKED	
CCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1ccccc1Cl	485331150	OPTANXZLGILZMT-UHFFFAOYSA-N	419.916	5.156	30	20	HKED	
C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	492334719	PNKMBQSSKAGXQG-SNVBAGLBSA-N	423.334	5.011	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	499416662	UQPDESSIAQVGMJ-UXLLHSPISA-N	424.125	5.240	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H](C#N)c1ccccc1Cl	499959295	QZCFVZHLQZSJLJ-MRXNPFEDSA-N	402.306	5.420	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	500743742	APYOFRKAWSJJOI-NRFANRHFSA-N	416.550	5.153	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1	501182098	PUIPPNKYKWEKPS-UHFFFAOYSA-N	416.481	5.094	30	20	HKED	
N#Cc1ccc(CC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)cc1	504342670	IJRSJYXHMRJLBE-UHFFFAOYSA-N	403.894	5.729	30	20	HKED	
C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(-c2cccnc2)cc1	504818687	LDTCTOPVFGHAFL-IBGZPJMESA-N	408.505	5.180	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	505550041	HZNMJQBDEFHQCS-STQMWFEESA-N	421.312	5.528	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	507909210	PYGNGYMDLKOOQO-ZHRRBRCNSA-N	411.461	5.197	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2cccs2)oc1C	508878081	ZTZOFTZIFDIDDI-UHFFFAOYSA-N	408.552	5.372	30	20	HKED	
Cc1ccc(Cc2nc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1	509864269	LYCQUMGTHYZAPS-QGZVFWFLSA-N	416.531	5.051	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1-c1ccccc1	510188906	GKRRWDJVOBWRBC-UHFFFAOYSA-N	421.525	6.018	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](CC(F)(F)F)c1ccccc1	510370288	XKXNUEMHXBWBET-CVEARBPZSA-N	422.344	5.812	30	20	HKED	
Cc1onc(-c2cccnc2)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	513629355	RWOVQKLZRLBYBV-INIZCTEOSA-N	420.881	5.312	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)oc1ccccc12)c1nc2ccccc2n1C(F)F	513662039	SJMOIBSRNKKCOY-INIZCTEOSA-N	401.372	5.821	30	20	HKED	
CCCCc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nc3ccccc3c2=O)cc1	514591120	SOUJWBHECLCKOQ-LJQANCHMSA-N	416.550	5.264	30	20	HKED	
C[C@@H](Nc1ncccc1C(=O)Nc1ccc(Br)cc1)c1ccc(C#N)cc1	516828378	GVXYBYURTXDZEI-CQSZACIVSA-N	421.298	5.141	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc(OC)c1	517903327	HMTSBIUKIXMJRY-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)cc2)cc1	520326742	JNBSOZZQWYEZIQ-DQEYMECFSA-N	412.489	5.195	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1Cl	520514469	JUVAXYBKGZFRLC-IBGZPJMESA-N	424.287	5.226	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1COCc1ccccc1	521190039	CGFFBGJQVWTBAD-UHFFFAOYSA-N	404.485	5.763	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)c1cccc(Cl)c1Cl	521293371	OCCZBPKJJBYAMJ-CQSZACIVSA-N	410.207	5.071	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc3c(s2)CCCCC3)cc1C	522387156	ZHCAPXMKORCHBE-UHFFFAOYSA-N	419.554	5.058	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)c2)cc1	523021532	JWMPSXOXJBLDHL-FQEVSTJZSA-N	415.468	5.586	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C	531313784	GNYRBEZCHAOZTO-BEFAXECRSA-N	416.978	5.016	30	20	HKED	
Cc1cnc(CCN(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1	535602861	OUJYZBHOZWWJSR-UHFFFAOYSA-N	411.914	5.084	30	20	HKED	
CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1ccc(C#N)c(Cl)c1	535874011	ASEDIWWCVSSHLI-UHFFFAOYSA-N	417.896	5.439	30	20	HKED	
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	537442548	SFKBMCQLSGLHBV-RTWAWAEBSA-N	412.455	5.669	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNc1cc(C(C)=O)ccc1C#N	544410160	BYAIGJAYAJUCRD-UHFFFAOYSA-N	401.466	5.349	30	20	HKED	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	560763923	NSPUMNAJNKCRNR-IEBWSBKVSA-N	406.501	5.057	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(CSc2ccccc2)cc1	561214356	UFGBAVFTIBFYIJ-UHFFFAOYSA-N	407.535	5.283	30	20	HKED	
Cc1csc(Sc2ccc(C(=O)Nc3scc(C)c3C#N)cc2[N+](=O)[O-])n1	564191090	QDYBXYBIALVRJS-UHFFFAOYSA-N	416.509	5.005	30	20	HKED	
CCO[C@H](c1noc(-c2ccc(CC#N)cc2)n1)c1ccc(F)cc1C(F)(F)F	570760472	HTQKVRGEKFUAFV-KRWDZBQOSA-N	405.351	5.086	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1F	574124573	XZFUQHKVSGVQMF-FCHUYYIVSA-N	421.472	5.055	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1sc2ccccc2c1Br	574446664	IBBGLNUDHJUPCL-UHFFFAOYSA-N	401.285	5.186	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1	576553539	VZUCTPPOVNSGTC-CABCVRRESA-N	421.488	5.389	30	20	HKED	
Cc1ccccc1C1CC(N(CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)C1	577314093	MBHBJSSHACUPED-UHFFFAOYSA-N	419.594	5.156	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCC(=O)c3ccc(F)cc3F)c2)cc1	591207054	XGUGLAITQXJXRS-UHFFFAOYSA-N	406.388	5.230	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(F)cc3C(F)(F)F)c2)c1	603682103	LTFCTWOFDNCOJS-UHFFFAOYSA-N	414.402	5.585	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1	608799572	ZAZGLULLZQTFBY-HSZRJFAPSA-N	417.553	5.254	30	20	HKED	
Cc1ccc(Cn2cc(CNCc3cccc(C#N)c3)c(-c3ccc(C)cc3)n2)cc1	608982312	NTZBKEJFCDFPLP-UHFFFAOYSA-N	406.533	5.377	30	20	HKED	
COc1cccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609072671	WOEYQTRDLOQTLK-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2occc2-c2ccccc2)cc1Cl	609163831	ANBNBDWGCODGBP-JOCHJYFZSA-N	412.876	6.508	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1	609377426	UQQZVIALBDOHNJ-LJQANCHMSA-N	400.547	6.099	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1cccc(C(=O)NCc2ccco2)c1	609384665	FTOULNFIKXOTBP-KRWDZBQOSA-N	405.523	5.073	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N(C)C	609435349	IQHJJCXUCUJRNV-BEFAXECRSA-N	416.978	5.159	30	20	HKED	
CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1	609436341	ZIYBKJJMNGVRKP-VGSWGCGISA-N	423.582	5.095	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)o1	609644424	WGDHWUIPUPRXQN-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	609987178	HSRRNBYBFDDZNQ-UHFFFAOYSA-N	404.857	5.166	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	610095423	SMQQYBIMNZIESM-MRXNPFEDSA-N	412.515	5.133	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)c1cccc(C#N)c1	610361592	HJDQLPMXEBBGGP-LLVKDONJSA-N	400.265	5.320	30	20	HKED	
C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1	610362574	PUFCJYGSBUTWIN-ZDUSSCGKSA-N	414.292	5.330	30	20	HKED	
C[C@@H](c1ccc(Br)cc1)c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1	615133049	IMLODTJVINRYPV-LIRRHRJNSA-N	423.314	5.197	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	675740134	MECBCZCWQMIAHB-FCNSVPFSSA-N	415.393	5.321	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1	726574062	ZYKKQXWOZJDABL-UHFFFAOYSA-O	413.566	5.576	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1cccc(C(C)C)c1	727978912	OEOXCDFSKCJWPK-UHFFFAOYSA-N	415.562	6.378	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@@H](c2ccncc2)c2ccc(F)cc2)cc1OC	728415558	JOAIFDJNPPXRIE-MOCOYGLXSA-N	419.452	5.140	30	20	HKED	
Fc1cc(Br)ccc1NN=Cc1ccccc1OCc1ccccn1	728432292	MVULYJOSWXPICO-UHFFFAOYSA-N	400.251	5.008	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)c2c(c1)C[C@H](C)O2	728440292	LWYIDDKQPJVBCI-RNZFLTOJSA-N	406.450	5.238	30	20	HKED	
N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2ccccc2o1	731287934	KTHFMGYMOBIWPZ-INIZCTEOSA-N	413.271	5.016	30	20	HKED	
Cc1cc(C)c(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Cl)c1	731320583	WMTLEOQDXPMUQO-UHFFFAOYSA-N	407.926	6.430	30	20	HKED	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1F	731400894	XHFGAUAZPVRDRY-INIZCTEOSA-N	414.550	5.388	30	20	HKED	
FC(F)(F)CC(=NNc1ncnc2sccc12)c1ccc(Br)cc1	731925194	SGYAPACTPPMDEI-UHFFFAOYSA-N	415.238	5.222	30	20	HKED	
CCCCCCCC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	732146387	IDLIRZHAVIWERV-UHFFFAOYSA-N	411.521	5.715	30	20	HKED	
COc1ccccc1CC(C)(C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	733053154	VMWORLYCHRVTDW-SFHVURJKSA-N	424.953	5.917	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2SC(F)(F)F)cc1	733623691	FOYFQZKEPDWSHS-UHFFFAOYSA-N	410.421	5.250	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1	733805288	AAXRLKIGTLBFEQ-KXBFYZLASA-N	419.447	5.289	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C)c1ccncc1	734672802	XZXICWUBIVVRPJ-UZLBHIALSA-N	422.554	5.200	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1csc(-c2ccc(Cl)cc2)n1	735340348	XVAZNIJQNVAQDS-UHFFFAOYSA-N	419.289	5.376	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CCC2	740483944	FPNNZKMZMHKRAK-IBGZPJMESA-N	422.579	5.271	30	20	HKED	
CCN(CC)C(=O)c1ccc(OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	741600519	GBUYGORJOOQSSX-UHFFFAOYSA-N	414.461	5.052	30	20	HKED	
CCn1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1Cl	741909298	ILORDRBKIDVFDR-UHFFFAOYSA-N	415.280	5.435	30	20	HKED	
N#Cc1cc(NC(=O)/C=C/C2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1	742784946	NNEBYJBKNIQZRT-UNXLUWIOSA-N	416.399	5.291	30	20	HKED	
Cc1cc2occ(CC(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)c2cc1C(C)C	744500225	KUPAZJBECJADHH-UHFFFAOYSA-N	415.449	5.072	30	20	HKED	
CCCn1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1	746030712	VTLSDMGIEAGWAK-UHFFFAOYSA-N	409.877	5.041	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2ccc(F)cc2)n1	747577906	PHIFHXCJZQKPBY-UHFFFAOYSA-N	402.834	5.092	30	20	HKED	
N#CCOc1cccc(/C=C2/CC[C@H](C3CC3)/C(=C/c3cccc(OCC#N)c3)C2=O)c1	749005983	PEJVNDGOABFJNE-KCSFOWCCSA-N	424.500	5.347	30	20	HKED	
CC(C)(C)Oc1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)n1	758510256	QEBBALWBSRHWIB-GOSISDBHSA-N	405.523	5.191	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	760180710	IKZBJTLRLOTHGS-QGZVFWFLSA-N	406.507	5.170	30	20	HKED	
COc1cc2c(cc1NC(=O)Nc1ccc(F)cc1OCC#N)oc1ccccc12	760487030	ZJMMPWAVGWIQOP-UHFFFAOYSA-N	405.385	5.280	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccccc2Br)CC(C)C)c1	764525958	KJONFTKLQSCNHC-UHFFFAOYSA-N	401.373	5.285	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c1	772645685	OKFQZZVFMGMPJT-IBGZPJMESA-N	418.880	5.367	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1cccc2ccccc12	774042754	KDWNTHGODAYKMC-VGSWGCGISA-N	414.505	5.079	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccccc1SC(F)F	777568206	CTWJZXXMTLESEV-UHFFFAOYSA-N	419.400	5.018	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)n1	780407334	VBUHDOPVYFIJFC-SFHVURJKSA-N	414.534	5.083	30	20	HKED	
CC(C)CCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCCC1	783399206	RSGFTLWHYLGSEZ-DEOSSOPVSA-N	417.553	5.098	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cnn(C(C)(C)C)c2C)cc(Br)c1OC	787186541	KKGYSQRZZYNSQK-HJWRWDBZSA-N	421.335	5.012	30	20	HKED	
N#C[C@@H](C(=O)c1nc(Cl)cs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	789404218	DGWURZQOSZLHNF-VIFPVBQESA-N	414.726	5.717	30	20	HKED	
O=C(C[C@@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O)Nc1ccc2ccccc2c1	790742370	OFLAJTUERJNAIW-IBGZPJMESA-N	421.547	5.024	30	20	HKED	
O=C(OCc1ccc(C(F)(F)C(F)(F)F)cc1)c1csc(C(F)(F)F)n1	790968818	OQUMEKQBDVMYCO-UHFFFAOYSA-N	405.266	5.173	30	20	HKED	
C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	795987384	VBOQEFQUTWLRQF-AUSIDOKSSA-N	412.489	5.631	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797572955	LUXOVIQCJHXNOQ-OAHLLOKOSA-N	413.543	5.207	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1sc2cc(Br)ccc2c1Cl	798038192	UKLKDDJUEBAVKB-ZUZCIYMTSA-N	414.752	5.028	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1OCCc2sccc21	813866177	LMWRGQMMWQPQLD-YTJPUZGESA-N	417.534	5.228	30	20	HKED	
Cc1c(-c2nc(-c3ccccc3N3CCCOC3=O)no2)sc2ccc(C#N)cc12	813894371	WEBHEWODPAPTRW-UHFFFAOYSA-N	416.462	5.145	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3ccccc3F)n2)n1	815971274	ZKHKNNONFAXXCE-CQSZACIVSA-N	413.543	5.683	30	20	HKED	
C=CCOC(=O)c1sc2nc(-c3ccc(-c4ccc(O)cc4)cc3)nc(O)c2c1C	824056516	ZKXLYVPIIXYHOB-UHFFFAOYSA-N	418.474	5.088	30	20	HKED	
N#Cc1ccc(CN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)C2CC2)cc1	914482641	YYFKAUGDEQXGDZ-UHFFFAOYSA-N	415.107	5.372	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(SC(F)F)cc2)cc1	915902852	MXYUBIOVWNXQDB-UHFFFAOYSA-N	400.372	5.078	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc21	916844062	UIDDLGQDIBATKN-NRFANRHFSA-N	407.473	5.080	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(SC(F)(F)F)cc1	916936808	XGCGGHOFMJSGPF-LBPRGKRZSA-N	416.783	5.052	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(C)nn(CC(C)C)c3C)n2)cc1	916973338	WLJSMILRNSDKJY-OAQYLSRUSA-N	420.582	5.397	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(-n4cccc4)cc3)n2)cc1	920138643	HEYAUYANJYNJMD-OAQYLSRUSA-N	413.502	5.028	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3C)CCC2)cc1	1785842714	JETQASTVERSKAU-UHFFFAOYSA-N	419.569	5.439	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1	1786103340	RCLQMAWVXYTKCM-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4s3)cc2)CCC1	1788971050	GFIIYYWGBYURCV-INIZCTEOSA-N	419.550	5.256	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1	1791244024	JMHBQNSWSCOXQJ-LPHOPBHVSA-N	404.501	5.158	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](C)Oc3ccccc3)CCC2)cc1	1791253322	BUMIQWYRPLBWCN-UXHICEINSA-N	420.553	5.190	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H](CC)c3ccccc3)CC2)C1	1805453474	HITHMYJEWOQMFB-XMMPIXPASA-N	422.613	5.180	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)CC1	1828824998	QXAFOSPRUGADJA-RPWUZVMVSA-N	412.618	5.143	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(F)cc1	7736966	XUDIABGZHHRQBP-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(C)c2)c(C)c1	10168576	JLMKKEQWHNKLJO-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C(C)C)nnc1-c1cccc(C)c1	11450624	OWNYFPMAFWLGLX-JOCHJYFZSA-N	420.582	5.045	30	20	HKED	
CC(C)n1c(SCc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl	12348741	VGXXOPOCZDULBY-UHFFFAOYSA-N	403.338	5.997	30	20	HKED	
C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC	21140576	VESOOGKNVPAPAS-HNNXBMFYSA-N	419.554	5.020	30	20	HKED	
Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccccc2)[n+]2cccc(O)c2)c(Cl)c1	22732711	LLBATVXZFWHVSL-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	61047240	VQTDODCPFGEAHM-NSHDSACASA-N	411.527	5.568	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1	65022753	ZRQBAUODERLDTG-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
COc1ccccc1-c1n[nH]c(/N=C(\O)CSc2cccc3cccc(Cl)c23)n1	78960699	KYHBXDJAIROQSJ-UHFFFAOYSA-N	424.913	5.667	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1sc(-c2ccc(Cl)s2)nc1C	109202908	ROPXOHFVPQIBKS-UHFFFAOYSA-N	403.916	5.356	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1	111020663	FYKFIOJFQCAUGZ-UHFFFAOYSA-N	423.900	5.273	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1F	216106633	MDNPSQWFFSQBTE-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccccc2F)o1	248017353	SYMMRRCLQIOKQE-UHFFFAOYSA-N	404.894	5.343	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1	251686281	WDZMBRSLWYLFTI-COXVUDFISA-N	415.356	5.586	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(NCc3ccc(COC4CCOCC4)cc3)c2c1	301766508	BLHMSYPRXVDAER-UHFFFAOYSA-N	401.510	5.031	30	20	HKED	
COc1cc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cc(OC)c1OC	303172734	WXLMLXOYIUEKCG-ZSOIEALJSA-N	406.450	5.240	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	303303463	DDTVBXBDLOKSKK-HSZRJFAPSA-N	421.541	5.145	30	20	HKED	
C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cccc2ncccc12	303344965	ZPLGYYKDIDCRQP-KRWDZBQOSA-N	408.461	5.338	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1	303615329	CIIPZNHNYOAUIS-SFTDATJTSA-N	420.434	5.308	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)ccc21	409574111	DOKSMFZQICEBRQ-UHFFFAOYSA-N	418.403	5.427	30	20	HKED	
Fc1ccc([C@H](CC(F)(F)F)N[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1	427520595	BGHDTOCSIMOOSM-SJORKVTESA-N	406.345	5.900	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c1	429803382	AJGOBYDJPOUUIA-UHFFFAOYSA-N	417.462	5.279	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1OC	430607892	ZSHWLDVKWSLSJW-ZDUSSCGKSA-N	406.935	5.381	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1	430629288	WFOZWWJOJDDARF-GOSISDBHSA-N	411.571	5.193	30	20	HKED	
N#CCCC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1	431641732	WYANKUKTLLASHZ-MRXNPFEDSA-N	417.745	5.360	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCSC(C)(C)CC2)cc1	433234814	SWKQYHHQKGTDEQ-UHFFFAOYSA-N	411.527	5.109	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1	434872127	ZAHSARMGTYNKSB-KRWDZBQOSA-N	403.979	5.016	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1	438074524	NBKGWAMFDVAHCL-TZIWHRDSSA-N	422.598	5.067	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccco2)C2CCCC2)cnn1-c1cccc(C#N)c1	439697593	VSASDWHKCPLFNB-UHFFFAOYSA-N	417.513	5.266	30	20	HKED	
C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cc1nnc(-c2ccc(C#N)cc2)o1	441058877	CECBIDSNCFZLLX-NIYFSFCBSA-N	420.516	5.187	30	20	HKED	
Cc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)cc1O	444893650	GCUYXUZQCBTVRU-UHFFFAOYSA-N	401.466	5.412	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1C1CCCC1	444913459	PYWYBPPJZMBXNI-UHFFFAOYSA-N	419.460	5.754	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)CCCC1(C)C	444949753	KUVFFXINUKXLHG-HXUWFJFHSA-N	410.518	5.185	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CN[C@@H](CC)c1ccc(C#N)cc1	447529785	LAFVBAVDZKHZOL-QFIPXVFZSA-N	401.510	5.775	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(C(F)F)cc3)c2)c1	462253812	IAZZIZXQTQKCCY-UHFFFAOYSA-N	420.419	5.070	30	20	HKED	
C[C@H](C(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1)c1cccc(C#N)c1	464197770	XEXYJLGFJKGTSV-KRWDZBQOSA-N	406.530	5.068	30	20	HKED	
N#C[C@@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1cccc(Cl)c1Cl	464400971	VLCVZROOGQEBIU-GFCCVEGCSA-N	409.141	5.285	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	468201333	LTBXFUBYUGLJIP-UWVGGRQHSA-N	407.285	5.327	30	20	HKED	
Cc1ccccc1-c1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)n(C)n1	470208051	QVWJHXDWYSVYSC-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
CC(C)C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccs1	470538686	RTNLZGAIXVNJDW-IBGZPJMESA-N	424.570	5.240	30	20	HKED	
CCC(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	471062022	KEDNWBMRVZDJAK-UHFFFAOYSA-N	400.453	5.133	30	20	HKED	
N#Cc1c(NC(=O)CSCC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2	471066446	OMDAAWAJKPYHKT-UHFFFAOYSA-N	418.971	5.097	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCSC[C@H]3c3cccc(C(F)(F)F)c3)cc2)CC1	472280656	AHTJYENDCGLGLP-IBGZPJMESA-N	416.468	5.191	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1	475548482	REEDSYYHCAUGJX-HSZRJFAPSA-N	406.570	5.794	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1cc(F)c(F)cc1Br)c1ccc(F)c(F)c1	475677329	MDOITMWIQNEDKO-MRXNPFEDSA-N	402.185	5.053	30	20	HKED	
O=C(CNc1ccc(CCC(F)(F)F)cc1)NCc1ccc(F)cc1C(F)(F)F	476127540	BFWHZDXKNPWOEG-UHFFFAOYSA-N	422.344	5.068	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccc(OCC)cc2)n1	476131400	DMPTYDUOKYIUDH-UHFFFAOYSA-N	420.578	6.242	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1C	476477855	YTXJEQSRUMNGNG-OAQYLSRUSA-N	414.505	5.609	30	20	HKED	
N#CC1(F)CCN(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)CC1	478977019	AQPXSUKKSHCDNG-UHFFFAOYSA-N	424.863	5.540	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479170175	UEYRPXPUCAWOGP-VNXZQDSDSA-N	405.542	5.431	30	20	HKED	
CCC(CC)N(CCOC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	480127174	UPYMOKWVBMBSOZ-NRFANRHFSA-N	413.949	5.664	30	20	HKED	
O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1c(F)c(F)cc(F)c1F	480878829	SKKFCDBRKICUOH-UHFFFAOYSA-N	424.297	5.046	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)s1	481889599	HCZMUSFRHKUDFT-OAHLLOKOSA-N	407.564	6.074	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)c2)cc1	482853284	YUKMNBDHDOIKDU-XMMPIXPASA-N	414.461	5.161	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nccc2ccccc12	483240642	ULOUTAXNGZUJMP-XMMPIXPASA-N	418.452	6.050	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1	485754527	FOKCOXANNACBMJ-QGZVFWFLSA-N	411.571	5.329	30	20	HKED	
Cc1ccc(F)c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1Br	486435821	RDUURLRYSWGYTJ-ZDUSSCGKSA-N	416.077	5.198	30	20	HKED	
CC(C)(C#N)c1ccccc1CNc1ccc(C(=O)NCc2ccccc2F)cc1	486454796	AIKQHTRIBBQWNX-UHFFFAOYSA-N	401.485	5.169	30	20	HKED	
CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C#N)Cc1ccc(C)cc1	489438551	MFRHXLVZMFBAPD-LJQANCHMSA-N	412.946	5.066	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCN(Cc2ccccc2)C1	492194156	DKLZQVGXXSKKOU-DYXWJJEUSA-N	422.598	5.113	30	20	HKED	
CC(C)(NCc1cccc(OCc2ccccc2C#N)c1)c1ccccc1[N+](=O)[O-]	492401018	UMARZBPCMRHXCJ-UHFFFAOYSA-N	401.466	5.070	30	20	HKED	
COc1cc(CNC2(c3nc(C)cs3)CCC2)ccc1OCc1cccc(C#N)c1	494801088	SEUAOQLHJMKCQH-UHFFFAOYSA-N	419.550	5.080	30	20	HKED	
CC(C)CN(C(=O)CSCc1cc(-c2cccs2)on1)c1ccc(C#N)cc1	499321637	AKBNKMBOPUVPKC-UHFFFAOYSA-N	411.552	5.197	30	20	HKED	
CC(C)[C@@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	501646449	HGVVSBFTEKQUFI-GFCCVEGCSA-N	410.465	5.133	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1oc(Br)cc1C	502748595	ZQGGCNTUEOTHBE-UHFFFAOYSA-N	411.255	5.575	30	20	HKED	
Cc1cc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)nn1CCC#N	504236837	VYYBJLKACCLNSF-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(-c2cccnc2)cc1	504818688	LDTCTOPVFGHAFL-LJQANCHMSA-N	408.505	5.180	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N3CCC(C)(C#N)CC3)cc2Cl)n1	506902661	XJPLMXCICJZHRW-UHFFFAOYSA-N	406.964	5.414	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc([C@@H](C)Oc2ccccc2C#N)n1	508667667	UOYUGOGRTRWAIQ-DNVCBOLYSA-N	411.889	5.293	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1	509202185	HDKBXGCQGUBXAU-UHFFFAOYSA-N	403.526	5.129	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)c1	517082511	XCNGDDSSLPCLGB-UHFFFAOYSA-N	406.482	5.109	30	20	HKED	
CCCOc1c(Br)cc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OCC	517549368	LVPTVJZZLHYZJS-HNNXBMFYSA-N	417.347	5.359	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCCOc3ccccc32)cc1	518020809	VMVROIXSTLFABG-NRFANRHFSA-N	402.425	5.133	30	20	HKED	
CSc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1NC(C)=O	518232831	ZKUQNYDJGDRRCG-UHFFFAOYSA-N	417.490	5.283	30	20	HKED	
N#Cc1ccc(CCC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc1	520533543	WKAZFSVMEGITFT-UHFFFAOYSA-N	416.443	5.361	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccc2)ccc1Cl	521075569	BGUVTUMBNQXNCT-INIZCTEOSA-N	406.938	6.654	30	20	HKED	
C=CCN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc2c(s1)CCCC2	521677903	QQHUQHDUVUNWDF-UHFFFAOYSA-N	417.987	5.437	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3	521727687	YIMYOAJHSVKONO-MRXNPFEDSA-N	420.534	5.581	30	20	HKED	
Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1Oc1ccncc1	522307014	AIWJMUIBLASTBL-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	522822973	BYSDUJIGXHOEHP-OAHLLOKOSA-N	417.925	5.708	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc2cc(Cl)ccc2s1	524270893	ABKJHUWEXWSROH-JTQLQIEISA-N	402.813	5.254	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)c(F)cc1Cl	524388940	FKHIMPKVVIAZFA-UHFFFAOYSA-N	412.823	5.630	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)Cc1ccccc1F	524439362	UITVCTZIGXIKAH-GOSISDBHSA-N	417.484	5.338	30	20	HKED	
C=CCn1c(SCC(=O)c2cccc(C(F)(F)F)c2)nnc1-c1cccs1	532273240	YSZBBXKUZDWHPK-UHFFFAOYSA-N	409.458	5.186	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	534771221	GILYSIBDNREGAR-UHFFFAOYSA-N	410.433	5.958	30	20	HKED	
CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n[nH]1	535681458	PCVHGYFICNBSBY-CYBMUJFWSA-N	424.892	5.128	30	20	HKED	
N#CCCn1cc(CNc2cc(F)ccc2OCC(F)(F)F)c(-c2ccccc2)n1	536139548	DHXGJVIQPQFUEH-UHFFFAOYSA-N	418.394	5.156	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2o1	539872668	JZAOAHFIVMWQLB-MRXNPFEDSA-N	401.491	5.409	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NCc2cccc(OCCCC#N)c2)cn1	540808118	UMJQQSVZQNKJRR-UHFFFAOYSA-N	403.482	5.486	30	20	HKED	
C[C@H](NC(=O)c1cnc(-c2ccncc2)s1)c1ccc(-c2cccc(C#N)c2)cc1	542000477	KQXVEOGMWWMDSS-INIZCTEOSA-N	410.502	5.235	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(C2CC2)cs1	542216512	UKLZZSSPZQGUBR-UHFFFAOYSA-N	418.975	5.323	30	20	HKED	
COc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	543987113	JJVAZZRVFVUTRT-IBGZPJMESA-N	412.470	5.026	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	544460581	PWDDWTTTXFMLHR-YKSBVNFPSA-N	400.453	5.014	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	558357724	AUXJEGVYGXAVJI-OPAMFIHVSA-N	419.912	5.887	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]c(C(F)(F)F)c3)cc2Cl)c1	569349475	ZYKFYVCXZXIIFD-UHFFFAOYSA-N	419.790	5.390	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C1CC1	570821880	PHXHHNGFIQMRFW-GOSISDBHSA-N	408.910	5.840	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1c2ccccc2O[C@@H]1C	571916633	BNFRWQJQGOOWAN-MZNJEOGPSA-N	413.477	5.089	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3cc(F)ccc3C#N)C2)n1	577820893	LWZMDODLBMFZSF-KRWDZBQOSA-N	407.514	5.209	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2s1	578389112	CMZCFMFLQAPCPF-UHFFFAOYSA-N	413.502	5.821	30	20	HKED	
CCO[C@H](c1noc(/C=C/c2cccc(C#N)c2)n1)c1ccc(F)cc1C(F)(F)F	583719407	LCAZSMQCXCKSNY-AIADIJKESA-N	417.362	5.395	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(Sc2ccccc2C#N)cc1)c1cccc(OC)c1	600856682	PWSKIVHBJGVNNZ-QFIPXVFZSA-N	404.491	5.044	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(CCc2ccc(O)cc2)CC1	602335762	NQHXULJUVQSISR-UHFFFAOYSA-N	410.517	5.416	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCCC(C)C)cc1	603600828	CEUCDNNORYJGEO-UHFFFAOYSA-N	415.493	5.731	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	603660284	FZTLUFFFEFWUDE-LLVKDONJSA-N	413.346	5.002	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)cn2)c1	603693537	YEZCXRHALKBPJT-UHFFFAOYSA-N	414.440	5.206	30	20	HKED	
COc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	603759217	YIJVEPYSEBWMJW-AOMKIAJQSA-N	420.896	5.410	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc2cc(F)ccc2s1	604005590	LXKMLLCBONCFDS-HNNXBMFYSA-N	423.856	5.766	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3N3CCCC3)cc2)cc1	604460692	UKNOGAXJNSOBRU-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cnc(-c4ccccc4Cl)s3)CC2)cc1	609141214	OKQSPKXYXRYGSG-UHFFFAOYSA-N	423.925	5.019	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)s1	609147547	FYDAOWMLZVFNEX-UHFFFAOYSA-N	406.511	5.558	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2cccs2)c(F)c1	609229585	ZXXGXHRGNDFCCO-UHFFFAOYSA-N	422.506	5.727	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(OC(F)(F)F)cc1	609438096	BPQDJIUIPHFCRA-CQSZACIVSA-N	423.460	5.344	30	20	HKED	
N#C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc(Br)cc1	609588875	VJQUKQQCGIPMAS-IBGZPJMESA-N	419.278	5.272	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c2)cc1	609652044	RKGJVBWXJQZCOT-UHFFFAOYSA-N	416.452	5.173	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1ccc(C#N)cc1	609813552	LAQMFINYYVAVNG-HNNXBMFYSA-N	410.930	5.421	30	20	HKED	
Cc1ccc(NC(=O)[C@H](Sc2ccc(C#N)cc2F)c2ccccc2)c([N+](=O)[O-])c1	610165729	JNXHGYIUOCPLRZ-OAQYLSRUSA-N	421.453	5.386	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)s1	610434148	VEYNXZIROZKISE-UHFFFAOYSA-N	407.442	5.577	30	20	HKED	
Cc1ccc(C(=O)C2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c34)CC2)cc1	614309024	HLRMGXKGVHYBJJ-UHFFFAOYSA-N	407.876	5.307	30	20	HKED	
O=C(CCCOc1ccc(F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642157308	FYLSLEUHSXPNHF-IMRBUKKESA-N	415.349	5.010	30	20	HKED	
CN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccccc1-c1ccccc1	725806515	SSOJPARJPQCLFY-OAQYLSRUSA-N	411.530	5.272	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1Cl	726448857	LIAOKJUEOVVFNQ-UHFFFAOYSA-N	421.835	5.225	30	20	HKED	
C[C@@H](NC(=S)Nc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1Cl	726468535	FJDABWJRHKGXRI-CYBMUJFWSA-N	408.354	5.724	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]1c1ccccc1C(F)(F)F	728122521	RBBYBKWVAUCVGY-MRXNPFEDSA-N	420.328	6.232	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	729828720	TVBMICILNGYHEE-UJGDBWEASA-N	416.443	5.340	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cc1	731938586	QLHPEIQPQJXSDH-RGHBXIHOSA-N	404.466	5.453	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nc2cc(Cl)ccc2s1	733052502	LCLBWKLYVHVWDE-CYBMUJFWSA-N	417.321	5.088	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1	736465981	VEZLJGXTMDZVQN-QFIPXVFZSA-N	411.486	5.843	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)c1=S	738285879	VGDDNRHPFTUTQE-DENIHFKCSA-N	419.598	5.401	30	20	HKED	
N#Cc1ccc(COC(=O)c2csc(-c3ccc(Br)s3)n2)c(F)c1	738661590	ASHBZCCZEHPFGC-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740431521	LETDLTVGFGBHPP-UHFFFAOYSA-N	416.550	5.517	30	20	HKED	
C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)c1)C(=O)O	746682883	FDVVGOCMAZUWJE-BRADTZPFSA-N	412.388	5.189	30	20	HKED	
C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	749046516	XCIKALCPTGXZDD-YUXAGFNASA-N	421.541	5.050	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)n1	750742173	LPEMPKTXLOWITJ-DOMZBBRYSA-N	415.971	5.825	30	20	HKED	
C=C(C)[C@@H](CC(=O)O[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)OCC	756567607	WGFKJOKJQOWQPW-YLJYHZDGSA-N	410.436	5.007	30	20	HKED	
C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	758617215	DKBJVLJPHBOIAJ-HRAATJIYSA-N	419.456	5.123	30	20	HKED	
N#C[C@H](C(=O)/C=C/SCc1ccco1)c1nc2cc(C(F)(F)F)ccc2s1	759819725	MAOIPGKZUNTAAY-VUDGCMKMSA-N	408.426	5.531	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CC(=O)c3ccc(Cl)cc3)n2)cc1	760181723	AASPQPFBRSUTCJ-KXBFYZLASA-N	422.937	5.857	30	20	HKED	
CC(=NNc1cccc(Cl)c1F)c1ccc(CNC(=O)OC(C)(C)C)nc1C	760249782	GTKIZFUZRMMZIL-UHFFFAOYSA-N	406.889	5.043	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@H]2c2ccsc2)c1=S	764888045	BZKPARRUBRTHCT-IBGZPJMESA-N	412.584	5.132	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	767159835	LKKYNLBXZGYTEN-UHFFFAOYSA-N	421.271	5.074	30	20	HKED	
COc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OC1CCCC1	767510734	MDRNCNFINUYPEW-UHFFFAOYSA-N	417.509	5.527	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc(Cl)ccc3OCC#N)o2)cc1	768460534	FDMKDFOPHBIQHW-UHFFFAOYSA-N	413.886	5.149	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	775989939	XYNMZSQNNIWKCC-HNNXBMFYSA-N	417.309	5.033	30	20	HKED	
COC(=O)[C@H](N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccc(C#N)cc1	776034066	PBSGWTYIYIVBLE-RBUKOAKNSA-N	422.834	5.185	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(OC)cc1	776081749	PVABYHSEKMBKKZ-HOTGVXAUSA-N	418.440	5.694	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c(F)c2)c(F)c1	780167289	ZTSOZNSWFZGTAE-AWEZNQCLSA-N	408.404	5.184	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(F)c(F)c2)n1	780301456	IMNXYJQEZMSQHT-AWEZNQCLSA-N	421.428	5.083	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CCC2	780423979	VWYVLAABTNLKSY-JOCHJYFZSA-N	415.497	5.327	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](O)c1ccccc1	788570334	DQRXJNJLTSWSJN-DSNGMDLFSA-N	413.521	5.222	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1	789451075	SVXUROKTYRYMGX-UHFFFAOYSA-N	409.530	5.817	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790589508	IQPAKHMMZJAUJG-UHFFFAOYSA-N	419.525	5.053	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(C(=O)N(C)C)cc1	792927094	ULGCOUHEQGRFOI-PFONDFGASA-N	421.928	5.247	30	20	HKED	
CN(CCOc1ccccc1C(C)(C)C)C(=S)Nc1ccc(C#N)c(Cl)c1	795037824	HZQLJDDZKGXMFH-UHFFFAOYSA-N	401.963	5.217	30	20	HKED	
C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(Cc2ccc(Cl)cc2)no1	796041399	RLCVZQDYHGWZMK-AWEZNQCLSA-N	409.873	5.033	30	20	HKED	
N#CC[C@H](CC(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1)c1ccccc1	796793368	PGVYAQOVTHATKQ-JPYJTQIMSA-N	424.422	5.821	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2cc(Cl)cc(Cl)c2O)ccc1OC	806146146	KQUCXHCEFWUGRV-CRAIPNDOSA-N	423.340	5.629	30	20	HKED	
CCO[C@@H](c1noc(-c2ccc(C=NOC)cc2)n1)c1ccc(F)cc1C(F)(F)F	809532902	OLKFFYBZJQYOMM-QGZVFWFLSA-N	423.366	5.001	30	20	HKED	
COc1ccc(C(=O)/C=C/C(C)=C\c2ccccc2OC(F)F)cc1NC(C)=O	811690057	SWINEIPOOJDWRS-TXXRRDSISA-N	401.409	5.097	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1OCCc2sccc21	813866175	LMWRGQMMWQPQLD-POCHDABASA-N	417.534	5.228	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1OCCc2sccc21	814305786	NTRISEDQXWXKRC-JFJYTDJESA-N	402.519	5.292	30	20	HKED	
COc1ccccc1C1(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)CCCCC1	815913511	UFPNPMKSJBGCHY-MRXNPFEDSA-N	423.463	5.518	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2ccsc2C(F)(F)F)no1	904922175	CEWZJDNHWQHVJO-LLVKDONJSA-N	416.425	5.077	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OC)c1	915353193	RHQVZYUQFUVSGV-QHCPKHFHSA-N	415.493	5.023	30	20	HKED	
CSc1ccc([C@H](C/N=C\c2cccc(O)c2O)N2CCc3sccc3C2)cc1	915980188	YMTPSBGYIQWUIF-PMIGXTIBSA-N	424.591	5.100	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)c1	916137857	HJPPZOSUNDHLED-KHPPLWFESA-N	414.292	5.342	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(F)cc2)cc1	916911211	UYDHETCUCRTNPT-GOSISDBHSA-N	408.816	5.233	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(F)cc(Br)c2)cc1	916950654	VLFHKJLHTWDTFJ-KZULUSFZSA-N	417.278	5.063	30	20	HKED	
Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(N2CCCCC2)o1	917572467	WWIXACLPKCQIID-UHFFFAOYSA-N	422.341	5.006	30	20	HKED	
C=CC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1	917599505	SNPLROFQDREYQX-HNNXBMFYSA-N	407.539	5.148	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3CC)CCC2)cc1	1789455820	DVCRFFJULNMEMH-LJQANCHMSA-N	423.582	5.222	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)cc2)n[nH]1	1820597385	YYYHQXRKFQLFDA-HXUWFJFHSA-N	408.546	5.016	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1829071304	SJXVKAYXMWMZPZ-BKMJKUGQSA-N	414.634	5.345	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CCCCCC(C)(C)C)C2)c1	1846087475	GACSHDLNDDHTBH-HXUWFJFHSA-N	423.601	5.127	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(C(C)C)cc2)cc1	22728610	HDLXNXXFTOTWPL-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(C(CC)CC)cc1	22805639	LOIORBNBZHKAQB-UHFFFAOYSA-O	403.637	5.494	30	20	HKED	
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCCCCC#N)cc1	25394676	FAPDFQLLZKXLIK-HTXNQAPBSA-N	412.489	5.581	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C)c1	46668116	QRLAYMSFRXKWKT-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)Nc1cccc(OCCCC#N)c1)c1cccc2ccccc12	56199487	HYXQMNZOFQJCGU-RBUKOAKNSA-N	401.510	5.200	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccncc3)cc2Cl)cc1	56750855	DWKUKCQCZBECKP-NRFANRHFSA-N	418.884	5.768	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)CCN1c2ccccc2Sc2ccccc21	60625071	KDZYLCXCEBXVQV-UHFFFAOYSA-N	414.534	5.017	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(OC(F)(F)F)cc1	78720086	RFTTUWGOIXELGK-CQSZACIVSA-N	408.445	5.551	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(Cl)cc1	303139475	DJUDNYUPOQVRGE-UHFFFAOYSA-N	419.912	5.763	30	20	HKED	
Cc1cccc2oc(CCNC(=O)c3ccc(Sc4ccccc4C#N)cc3)nc12	409468722	JIHNCOSJWMZYSY-UHFFFAOYSA-N	413.502	5.132	30	20	HKED	
Cc1nc2cc(C(=O)N[C@@H](C#N)c3ccccc3Cl)ccc2n1Cc1ccsc1	409557936	SRTOISBHDYYMCG-FQEVSTJZSA-N	420.925	5.103	30	20	HKED	
CCCN(C)C[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	429094056	CVIPSUPSRALNIR-XMSQKQJNSA-N	424.976	5.191	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)s1	430589551	DWTJCUHSQFNWOS-CYBMUJFWSA-N	405.445	5.448	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3occc3Br)c2C#N)C1	433517739	MTSSAJKRYQHTQO-JTQLQIEISA-N	407.333	5.379	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cc(Cl)ccc1Br	433773785	IIRULISOLBXYBO-LBPRGKRZSA-N	423.763	5.678	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1Cl	435106707	CTGMICUYSXWJOG-HXUWFJFHSA-N	419.916	5.130	30	20	HKED	
N#CCCn1cc(CN2CCCC[C@H]2CCCc2ccccc2)c(-c2ccncc2)n1	435125853	ZHUHXVFGAAQUOU-VWLOTQADSA-N	413.569	5.236	30	20	HKED	
CC1(C)Cc2ccc(Cl)c(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2O1	435332766	MLXNULJSFOKUHB-IEBWSBKVSA-N	409.917	5.357	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1C#N	435561070	QWBYTZZFRWWORY-UHFFFAOYSA-N	418.497	5.097	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](c2ccccc2)CO1	437382981	FYRBLTRNSFTVMG-KBMIEXCESA-N	412.489	5.147	30	20	HKED	
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	437544879	FVGRVJLZFNKDGZ-PKOBYXMFSA-N	416.447	5.075	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	438083580	YBHQCBBCPCDLFW-KBXCAEBGSA-N	403.935	5.101	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1OC(F)F	460235165	RAQARMXKILKEFP-WBVHZDCISA-N	405.832	5.245	30	20	HKED	
CCOc1ccc2ccccc2c1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	463752556	COLRADQMUFINLQ-KRWDZBQOSA-N	420.534	5.650	30	20	HKED	
Cc1ccc(O[C@@H](C)CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	463904129	DFQXWURFCJGYLM-SFHVURJKSA-N	402.519	5.215	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(OCCC(C)C)c1	464404308	IGNYETHUMPVCSL-KRWDZBQOSA-N	406.404	5.024	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1	464814723	NHBOCMODTVJXOD-PKOBYXMFSA-N	413.308	5.315	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)c3cccc(COc4cccc(C#N)c4)c3)co2)cc1	465191642	FAXQOUYSUVWYDM-UHFFFAOYSA-N	423.472	5.031	30	20	HKED	
CSc1ccccc1N(C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	465462350	AOGVGXAUCLJYSR-UHFFFAOYSA-N	404.539	5.079	30	20	HKED	
N#CCCn1cc(CN2CCCc3c([nH]c4c(F)cccc34)C2)c(-c2ccccc2)n1	467550633	LYLQBSBUFKCFEC-UHFFFAOYSA-N	413.500	5.033	30	20	HKED	
C=CCC[C@@H](NC(=O)c1scc(C)c1I)c1ccccc1	469024214	PBVCIULHOBCDQV-CQSZACIVSA-N	411.308	5.098	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c1C#N	470210034	QSYVNLUHLZZYNF-HNNXBMFYSA-N	414.534	5.106	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c(C#N)s1	471218584	CMNVKNGYMLNEAE-UHFFFAOYSA-N	406.960	5.125	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)cc1Br	471271344	ATCNFOKIVIJTFX-NSHDSACASA-N	409.736	5.607	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CCSC)c1nnc2ccccn12	475552699	CXMNZLRXCMHUNO-IBGZPJMESA-N	423.586	5.197	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1	475555546	XKYWDANSPLJKHU-OAQYLSRUSA-N	403.526	6.439	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1	476122989	MRRPDOULRUHWAY-UHFFFAOYSA-N	413.443	5.995	30	20	HKED	
C=C(C)[C@@H](N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1)c1ccc(F)c(F)c1	480689716	OSLQVZCRULMIIS-KSFYIVLOSA-N	401.501	5.807	30	20	HKED	
CN(CC(=O)Nc1sccc1C#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	482983107	NQDVEQYNJUSBGJ-HXUWFJFHSA-N	413.905	5.072	30	20	HKED	
C=CCN(C(=O)[C@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	483124752	HIVWHXKZMSWEJG-LBPRGKRZSA-N	417.308	6.071	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1ccccc1Cl	483218822	FTRPHDCJKPVLCP-INIZCTEOSA-N	418.909	5.448	30	20	HKED	
CSc1nnc(CCCNc2ccc(C#N)c(C(F)(F)F)c2)n1C1CCCC1	486129956	RGXVMNJOOFMSPK-UHFFFAOYSA-N	409.481	5.050	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	488497068	KQHUJIYVQUGJLL-OAHLLOKOSA-N	419.312	5.213	30	20	HKED	
CC(C)n1ncc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1-c1ccccc1	489733995	HJRCHWWFYHHQDZ-LJQANCHMSA-N	412.415	5.144	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	494327704	IKPKDAUYYSBHML-RTBURBONSA-N	421.953	5.819	30	20	HKED	
CCN(C(=O)CNc1ccc(C#N)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	496576341	YREKAKBMEQAPAL-AREMUKBSSA-N	412.537	5.127	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	500036469	IZJMDRJDMMGBRK-VUKOWNLVSA-N	403.507	5.064	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	500612603	AVDNSZWEOMOJKM-UHFFFAOYSA-N	418.305	5.640	30	20	HKED	
C=CCn1c(S[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1C1CC1	504544320	ALXPGDJIYJNXAM-SNVBAGLBSA-N	421.410	6.232	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12	505313099	STOMPIWYCRWHEX-CQSZACIVSA-N	402.479	5.323	30	20	HKED	
C[C@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)N(CCC#N)c1ccc(F)cc1	507226173	BTJAJYYRTBCFIG-LBPRGKRZSA-N	418.444	5.120	30	20	HKED	
Cc1ccc(N(C(=O)COc2ccc(C#N)cc2)c2nc3ccccc3s2)c(C)c1	508564123	ACWMLLDYEAMMHT-UHFFFAOYSA-N	413.502	5.529	30	20	HKED	
Cc1ccc(Cc2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1	509906888	CONDGHFLLIXSOY-OAHLLOKOSA-N	422.460	5.277	30	20	HKED	
N#Cc1ccc(OC2CCN(Cc3coc(-c4ccc(Cl)cc4)n3)CC2)c(F)c1	512802687	WCDIRLHLPHNNEX-UHFFFAOYSA-N	411.864	5.049	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	513852510	IXOKXPTYZIBBHU-VBKZILBWSA-N	407.901	5.733	30	20	HKED	
C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1cccc(NC(=O)c2ccccc2)c1	514087262	GBAFHYVYBVPOET-HXUWFJFHSA-N	424.548	5.130	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(Cl)ccc4o3)n2)cc1	516270303	RHFYIKMABXFPRJ-INIZCTEOSA-N	403.850	5.571	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccncc5)cs4)cc3c2C1	516331465	SVRSAJFFPCRJBM-AUUYWEPGSA-N	412.518	5.301	30	20	HKED	
CC(C)(C)[C@H]1CCc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2C1	516769292	DZXLTXYTYNQLMZ-DLBZAZTESA-N	421.591	5.908	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(SCc2ccccc2)cc1	517518100	SLJOTHAQZAABDC-SFHVURJKSA-N	418.587	6.625	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1cc(Cl)cc2cccnc12	517939746	PRWGOUUYOKXHIZ-UHFFFAOYSA-N	402.306	5.285	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1Cl	518016345	LOILGPUQUZMLET-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OCC(F)(F)F	518256592	HKZOJMSPDUHFHN-CQSZACIVSA-N	423.460	5.344	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl	519485145	HGOWEFSDRUWLJZ-YCPHGPKFSA-N	413.226	5.497	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1(c2cccc(Br)c2)CC1	520100784	RNTABXPFDLSBNV-UHFFFAOYSA-N	411.343	5.037	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1	521809114	VLDGDYJNKZYYNZ-GJZGRUSLSA-N	410.568	5.915	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Cc2ccccc2F)n1)c1nc(-c2ccccc2)cs1	522813316	VRDBJQCRSCROAE-INIZCTEOSA-N	419.506	5.487	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c2cnn(C(C)C)c2n1	523966509	XPWOFDWCQXAVRP-SSOJOUAXSA-N	415.541	5.190	30	20	HKED	
Cc1cccc([C@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	524989909	NQUSJTXSLQWLRW-HXUWFJFHSA-N	413.521	5.565	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc3ccccc3c2)cc1	525735267	VUORQEYCGIYXRE-UHFFFAOYSA-N	421.500	5.807	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)cc3Br)c2C#N)C1	533080734	VUYSUWLXIXWGAZ-QMMMGPOBSA-N	411.271	5.038	30	20	HKED	
CC(C)CN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccc(C#N)cc1	533254943	NIJLWKPIHMKTDM-LJQANCHMSA-N	420.582	5.049	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C1CC1	534800733	GYCADOXSXDDNAK-MRXNPFEDSA-N	400.482	5.648	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2cccnc2)C2CC2)cc1F	535468283	JBWNZNFTDOJEJU-QFIPXVFZSA-N	402.429	5.157	30	20	HKED	
CC(C)c1c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cnn1-c1ccccc1	535783458	YZTSMKLJKVESOW-LJQANCHMSA-N	412.415	5.009	30	20	HKED	
COc1cc2c(cc1OC)CN(Cc1ccccc1NCC(C)(C)CCC#N)CC2	536103701	QWFQEUOMUFQCOY-UHFFFAOYSA-N	407.558	5.004	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1cccnc1	538728307	LCGPOKKYHVXKSD-IZZNHLLZSA-N	419.532	5.206	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1	539467067	UVQYIKCAVCKHAH-NVXWUHKLSA-N	402.926	5.024	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1ccc(Cl)cc1)c1ccccn1	540722503	FDGFSTXYQIICAP-HSZRJFAPSA-N	415.924	5.542	30	20	HKED	
C[C@@H](N[C@@H](Cc1ccccc1)c1cccs1)C(=O)N(CCC#N)c1ccc(F)cc1	541596665	CTYWPUMJGBSNCS-GCJKJVERSA-N	421.541	5.096	30	20	HKED	
N#CCC1CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1	542908889	QKVLWHWOECLJKV-UHFFFAOYSA-N	416.308	5.012	30	20	HKED	
C[C@@H](NC(=O)c1cc(O)nc2cc(F)ccc12)c1ccc(-c2cccc(C#N)c2)cc1	542930909	ZIEIFQZQYOGVQR-OAHLLOKOSA-N	411.436	5.109	30	20	HKED	
Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(C)C	549446598	OQOLQOVQEZCAMR-KRWDZBQOSA-N	415.969	5.084	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3nccc(C#N)c3Cl)CC2)n1	557685059	PFHGYBBDAYMGKG-UHFFFAOYSA-N	410.930	5.123	30	20	HKED	
C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2cccs2)C1	561008389	SPHHZYFVFRDJMJ-VQTJNVASSA-N	408.571	5.036	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)cc1	561397944	JUKURIQOYKZWSM-VXNXHJTFSA-N	414.553	5.359	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)C2(c3ccccc3)CC2)nnc1-c1ccc(F)cc1	563763694	YWMVLWGNPCQSRK-MRXNPFEDSA-N	407.514	5.052	30	20	HKED	
N#C[C@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	564185224	OIKVDHFXIRHVFV-CQSZACIVSA-N	407.804	5.367	30	20	HKED	
COc1cc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc(Cl)c1OC	567788540	ICKDKYBJNCGMIY-UHFFFAOYSA-N	422.872	5.333	30	20	HKED	
C=C(C)C[C@@H](C)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	576621128	SSJIADLCSIDEPM-GOSISDBHSA-N	401.510	5.596	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)Nc3ccccc3OCC(F)F)cc2)ccn1	581696745	YVMVECBCISYRTG-UHFFFAOYSA-N	410.380	5.033	30	20	HKED	
N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3F)o2)sc2c1CCCCC2	590613406	OIQBWQDJTPZZNP-UHFFFAOYSA-N	409.486	5.254	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	607302043	NJVQFKDYMCMPEY-UHFFFAOYSA-N	413.521	5.510	30	20	HKED	
C=CCN(C(=O)c1cccc(-c2nnc(C)o2)c1)c1nc(-c2ccccc2)cs1	607997249	HCFGNYDHFKPHSE-UHFFFAOYSA-N	402.479	5.001	30	20	HKED	
COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1C	609061928	KWFQGGZXXPXBLV-UHFFFAOYSA-N	416.477	5.024	30	20	HKED	
N#CCn1c(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc2ccccc21	609215467	JDNYMYUFBXYKHP-UHFFFAOYSA-N	414.446	5.394	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1	609429163	IYYXNHFKJAASJV-LLVKDONJSA-N	418.437	5.040	30	20	HKED	
COc1ccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc12	609429285	SQULJCCPHWBQCT-HNNXBMFYSA-N	412.536	5.043	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	609434354	XLEJDWWURCIJBV-MRXNPFEDSA-N	417.465	5.250	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1	609434909	ZUYNHNWKCRSKSA-KRWDZBQOSA-N	418.566	5.974	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCNc1ncc(Cl)cc1Cl	609437170	UCOHHXMYEPEKRU-LBPRGKRZSA-N	424.357	5.016	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)c1	609501879	IZDCSWXCIXMMNZ-QHCPKHFHSA-N	424.953	5.728	30	20	HKED	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N	609820405	UAKWKZBIUZRTFF-XMSQKQJNSA-N	408.567	5.281	30	20	HKED	
CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(F)c(C#N)c1	609844484	BEDHCCXMXXDFGB-UHFFFAOYSA-N	423.467	5.103	30	20	HKED	
CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609985406	GTCHDFMIPQUVSJ-UHFFFAOYSA-N	410.521	5.174	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610321183	KIGOKLFFXSGPSG-OPAMFIHVSA-N	416.456	5.500	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1	610431617	JWODJZKZOHTCNG-UHFFFAOYSA-N	401.800	5.293	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1F	611358090	DYEKHUGKPGFVJM-ZWKOTPCHSA-N	423.488	5.160	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc2ccccc2n1	613292699	PRAVGHIWSHGSPM-INIZCTEOSA-N	424.357	5.068	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1	613392480	QBAYGIRGFYACCB-MRXNPFEDSA-N	421.934	6.077	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Br	613402545	CRIRDSGMFWGICR-NSHDSACASA-N	421.703	5.211	30	20	HKED	
CC[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	614149278	YLCFREPMOLQKAQ-DEOSSOPVSA-N	424.504	5.352	30	20	HKED	
Fc1ccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Br)c1	618450134	JGILFYJOHHBDRN-AOOOYVTPSA-N	408.155	5.151	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(NC(=O)c2ccccc2Cl)c1	618741376	FRGRWPYAKRZMTE-HSZRJFAPSA-N	401.897	5.241	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)oc2c1C(=O)CCC2	643118300	UVKDTVUWQKVZEK-ZDUSSCGKSA-N	410.539	5.444	30	20	HKED	
N#C[C@@H](C(=O)c1coc(C2CCCC2)n1)c1nc2cc(C(F)(F)F)ccc2s1	670115922	KGAIXICSHCLCJR-LBPRGKRZSA-N	405.401	5.451	30	20	HKED	
CC[C@H](Oc1ccccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	673935770	SCIXLPACKRAFBO-MJVIPROJSA-N	415.349	5.009	30	20	HKED	
O=C(N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1	674465568	NZMKIGUVCMYEQY-GJZGRUSLSA-N	411.361	5.227	30	20	HKED	
N#Cc1ccc(F)c(COC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1	725995347	YTQLFNZDMDAYJT-UHFFFAOYSA-N	406.360	5.197	30	20	HKED	
C[C@@H](c1ccccc1Br)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1	726485988	WKRMKRYUTAOCLE-NSHDSACASA-N	408.752	5.364	30	20	HKED	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)c1	726802132	UBPXILAYLSYAET-ZHZULCJRSA-N	408.548	5.392	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc(OC)c1OC	727803359	ZSMAKVLRVVOLEU-UHFFFAOYSA-N	412.486	5.032	30	20	HKED	
N#CCn1cc(NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)cn1	730215178	CMLXWVJBZLQEON-GOSISDBHSA-N	417.321	5.186	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3csc(-c4ccsc4)n3)cc2)nc1	732398809	NZTYXXGDTJDRNC-UHFFFAOYSA-N	419.487	5.288	30	20	HKED	
O=C1/C(=C/c2nccn2Cc2ccccc2)CCc2nc(-c3ccccc3F)sc21	734095762	SPIPCRBURYVYEJ-SAPNQHFASA-N	415.493	5.407	30	20	HKED	
COc1cc(COC(=O)c2cc3ccsc3[nH]2)ccc1OCc1cccc(C#N)c1	735128627	UALRJVARNKBQGG-UHFFFAOYSA-N	418.474	5.046	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)nc1-c1ccccc1	740727516	QQIKDZXPMNKJOJ-JXVRESAISA-N	411.505	5.714	30	20	HKED	
CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1c(Cl)nc2sccn12	741838262	TXPNZPFPHLKNHJ-UHFFFAOYSA-N	424.942	5.557	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(C2CC2)c1=S	746055801	GHPVZAWTLFQKRE-UHFFFAOYSA-N	423.611	5.465	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1	747197301	XCTOCNLGDWUTKZ-HRCADAONSA-N	407.564	5.802	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3ccsc3)n2)nnn1-c1ccc(Cl)cc1	747615289	SQPGMYIVHXGROZ-DAXSKMNVSA-N	412.927	5.310	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC	749451042	GXXAHQYSHCKBHS-SMEDBKPVSA-N	410.539	5.381	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1C	749831542	ZSCQVTKMNHJAHS-UHFFFAOYSA-N	401.963	6.034	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)/C=C\c3cnc(-c4ccncc4)s3)c2C)c1	753142976	CDFVDYQTLZBXHS-SREVYHEPSA-N	400.507	5.212	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1OC(F)F	753398596	RXQIJDRPLBMTPU-IVOILVROSA-N	411.433	5.086	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](OC(C)(C)C)c3ccccc3)n2)cc1	754528143	HZOYJYIYEIREFO-DENIHFKCSA-N	420.534	5.551	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C(C)=C/c1ccc(Cl)cc1	759208398	YDJGRZGISGGMKD-OIQJVACTSA-N	417.292	5.061	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cc1	766383129	UHNQXZDWWYUGGF-QYWGDWMGSA-N	414.933	5.339	30	20	HKED	
Cc1cccc(C(=O)OCc2ccccc2C(C)(C)C#N)c1NC(=O)c1ccoc1C	768013941	PETDBAUCJWZUKY-UHFFFAOYSA-N	416.477	5.307	30	20	HKED	
Cc1nc(NCC(=O)OCCCCC(C)(C)C#N)c2cc(-c3ccccc3)sc2n1	768774305	HQWQFKIIUHEWAW-UHFFFAOYSA-N	422.554	5.342	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	768902677	LLSPZBWQBXPKJM-NVXWUHKLSA-N	421.394	5.205	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)c(Cl)c([N+](=O)[O-])c1	775494521	WIBPDJJPNYNCCF-UHFFFAOYSA-N	404.131	5.044	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCc4c(Cl)cccc43)n2)cc1	776084204	JSVBISAKITTWLA-MSOLQXFVSA-N	403.894	5.241	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NN[C@H]2CCOC(C)(C)C2)c(C)c1	780246224	FZJQFIXOEWXUEV-NRFANRHFSA-N	402.542	5.037	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3cc(Br)cs3)c(Cl)nc21	782370456	UXRKVMQIANDVQV-ONEGZZNKSA-N	410.724	5.386	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1	782741385	KOXJXIHNNLBMJC-UHFFFAOYSA-N	405.454	5.074	30	20	HKED	
N#CCOc1ccc(CN[C@H](c2ccc(Br)cc2Cl)C2CC2)cc1	783244621	NEBGVVZJYWJIGN-IBGZPJMESA-N	405.723	5.246	30	20	HKED	
C=CCN(C(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1)C(C)C	790537483	DIPJJIKLZQZRPW-UHFFFAOYSA-N	404.308	5.373	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nccc2ccccc12	792092455	QYDQKVJFKFUWBQ-UZLBHIALSA-N	407.311	5.442	30	20	HKED	
C=CCN(CCC#N)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S	793559862	FQUYFXXKKQJUMQ-UHFFFAOYSA-N	413.544	5.092	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNCCC(F)(F)F	794548546	SDZHLHSXTSQUMD-UHFFFAOYSA-N	413.658	5.076	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	802045711	VRTDKEWJYCJULD-OXQOHEQNSA-N	402.519	5.629	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)n1	810520106	RQRKGSGWNTWUSA-NSHDSACASA-N	419.934	5.522	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1NC(=O)OC(C)(C)C	813213795	PTUDFLPDLDCOHZ-OAHLLOKOSA-N	419.403	5.246	30	20	HKED	
N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1cc(C(F)(F)F)ccn1	813218177	MODRPZMYHCEUQL-HRYODUOUSA-N	418.724	5.576	30	20	HKED	
Cc1oc2c(C)c(OC(=O)CC3(C#N)CC3)ccc2c(=O)c1Oc1ccccc1Cl	815914731	NFSBMVNQAKAWTJ-UHFFFAOYSA-N	423.852	5.455	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1	904489832	MDFIOSSIIIPFPE-UHFFFAOYSA-N	419.488	5.603	30	20	HKED	
N#CC(CCOC(=O)c1ccc(C(F)(F)F)nc1)(c1ccccc1)c1ccccc1	914895152	ZGMKWUATDLEBQM-UHFFFAOYSA-N	410.395	5.157	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)cc1	915190661	IFZBTZNMLATCKW-MTVZPNFRSA-N	408.910	5.408	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c(Cl)cccc1Cl	916309486	GYKPQGQEYDJNPO-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccc2ccccc2n1	916849690	ZORIGSAONJWWFN-OTWHNJEPSA-N	409.514	5.771	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(F)F	917028821	VMJJKYIPZBPUEX-LJQANCHMSA-N	423.419	5.596	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)N(CCC#N)Cc3cccnc3)c2c1	917358478	FTNMHFDVRYVFTR-UHFFFAOYSA-N	406.489	5.161	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl	920803917	GQBHRFLEKPZLJH-CQSZACIVSA-N	416.880	5.859	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCC1)c1nc(-c2c(F)cccc2F)cs1	920807139	YUBKEOGWHNYIJZ-OAHLLOKOSA-N	412.436	5.526	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1	1785843526	RLWNYUVZDMZRJA-UHFFFAOYSA-N	404.501	5.158	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1	1787594676	QOXAKZONLDBAGD-UHFFFAOYSA-N	421.541	5.292	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1	1787888472	OXYAMUQOUBHVCU-UHFFFAOYSA-N	416.308	5.045	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1	1789449832	XDZHIMBKZVPKGG-YLJYHZDGSA-N	416.512	5.324	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2	1798335966	ZTIBOLIARNNFGM-YVSFHVDLSA-N	421.368	5.014	30	20	HKED	
C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@@H](c4ccccc4)[C@H](C)CC)CC3)C2)C1	1804777352	BCRALTMCHKTGGE-ZJSXRUAMSA-N	422.613	5.014	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)c3ccccc3)CC2)C1	1804868803	QIHKIBUMOAEEDI-OAQYLSRUSA-N	410.602	5.014	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccccc2CC)cc1	22729125	BSCYLBDBKLPAKI-UHFFFAOYSA-O	419.570	5.295	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)NCc2ccccc2)cc1	22730700	YMJMLWPTXOCWAX-UHFFFAOYSA-O	417.598	5.190	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CC)c1ccccc1OC(F)F	63402027	DEGQCDKKDATCTR-GOSISDBHSA-N	419.428	5.045	30	20	HKED	
N#Cc1ccnc(SCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1	71918336	CMHMAISMEDNSSC-UHFFFAOYSA-N	421.334	5.114	30	20	HKED	
Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C1CC1	147169008	KCPUNSNVWJMSFK-CYBMUJFWSA-N	417.321	5.218	30	20	HKED	
C[C@H](c1ccccc1)N(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1O	216477866	ZNKVMERAESMOGT-QGZVFWFLSA-N	419.912	5.119	30	20	HKED	
CCCCCCCCCN(CCO)C(=O)OCC1c2ccccc2-c2ccccc21	261506738	ANPJFJJOWMBOQB-UHFFFAOYSA-N	409.570	5.980	30	20	HKED	
CCN(Cc1nc(-c2cn(CCC#N)c3ccccc23)cs1)C(=O)OC(C)(C)C	303853552	LDFBWJLBMSTYFH-UHFFFAOYSA-N	410.543	5.435	30	20	HKED	
COc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c(OC)c1	410348857	BUQHIWKEMFVAMP-UHFFFAOYSA-N	402.450	5.123	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc3nc(-c4ccccc4)oc3c2)s1	430614410	ZAOGMZBBMUBRCN-MRXNPFEDSA-N	401.491	5.739	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cccc(SCC#N)c3)s2)cc1	430691389	LZFKYODMMSGFBJ-AWEZNQCLSA-N	423.563	5.234	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c1	430956481	OWUDHARKOAGXQA-UHFFFAOYSA-N	419.506	5.970	30	20	HKED	
CC(C)c1nn(C)cc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	431899171	BKCRPSLDASHWGY-SFHVURJKSA-N	407.905	5.496	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431924740	LBUQERRKZNAEII-JXFKEZNVSA-N	403.448	5.371	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1OCC(F)(F)F	435206299	LVHAUEMJVBTXLJ-SJLPKXTDSA-N	421.394	5.070	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C1CC1	435556758	OIHDYBOQZANNTL-UHFFFAOYSA-N	412.489	5.470	30	20	HKED	
N#Cc1ccc(CSCc2cccc(C(=O)N3CCCCC3)c2)c(OC(F)F)c1	439536742	NYEFLWPEMVYCED-UHFFFAOYSA-N	416.493	5.219	30	20	HKED	
CCCc1c(NC(=O)N(CC)Cc2ccccc2C)cnn1-c1cccc(C#N)c1	439673230	TZNKREVFLFSVDE-UHFFFAOYSA-N	401.514	5.059	30	20	HKED	
CCCc1c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cnn1-c1cccc(C#N)c1	440094764	FJDNSKUXQMWPSA-UHFFFAOYSA-N	416.378	5.107	30	20	HKED	
Cc1cccc(Oc2cc(CNC(=O)N[C@H](CCC#N)c3ccccc3)ccn2)c1C	440231587	ZXASWMDDOGLBGU-JOCHJYFZSA-N	414.509	5.335	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c2ccccc21	444297252	SNJOOZMQJFZGFY-UHFFFAOYSA-N	404.470	5.460	30	20	HKED	
CC(C)(C#N)CCCCN1CCN(CCCCC(C)(C)C#N)C2(CCCCC2)C1	444663743	PCHVBTKTSUOINA-UHFFFAOYSA-N	400.655	5.747	30	20	HKED	
N#Cc1cn(CCc2cc(Cl)cc(Cl)c2)c2ccc(Br)cc2c1=O	446069942	LUQGARLFPOCVRY-UHFFFAOYSA-N	422.109	5.185	30	20	HKED	
C=CCN(C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21)c1nc(C(=O)OCC)cs1	447399888	YBERNAGVSYHBPO-LPHOPBHVSA-N	412.555	5.156	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	460677961	OFTKAYWQAJDLAX-ZWKOTPCHSA-N	404.297	5.043	30	20	HKED	
Cc1ccc(CC[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	461396856	QPUJNKQUPUPREK-KRWDZBQOSA-N	404.535	5.503	30	20	HKED	
CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	464932708	PMYBYWPSHKSKDT-UHFFFAOYSA-N	423.476	5.259	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OC	465587003	BBBSQDKJJTVAIM-YUXAGFNASA-N	421.541	5.026	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1	466140318	BWQZAUCNSNTIIS-KCZVDYSFSA-N	403.526	5.422	30	20	HKED	
COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CCO2	467153912	CRBFAWQVESQKPS-NRFANRHFSA-N	415.449	5.004	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1Oc1ncccc1Br	468620131	JELRVJYQABDOKI-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2-c2c(F)cccc2F)c2ccccc21	469818917	LHZMFYMXYSQQAE-UHFFFAOYSA-N	415.443	6.143	30	20	HKED	
CC[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[C@H]1c1ccccc1	470012964	LFQBTLZJDQTTJW-GBXCKJPGSA-N	414.505	5.386	30	20	HKED	
N#CCCn1ccc(NC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)n1	470405182	VQLPBNSICDBZHQ-UHFFFAOYSA-N	422.901	5.371	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3cccs3)C2)cc1	473790422	GGYNLFIBBPZJOM-FQEVSTJZSA-N	405.479	5.017	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)c2ccccc21	475505441	CACXLWRPPKJLGJ-HNNXBMFYSA-N	404.413	5.020	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1	475567313	KVSFGCOPYHGYSM-XMMPIXPASA-N	421.585	5.042	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1	475572376	JINVLBGYZMPXQW-OAQYLSRUSA-N	408.542	5.925	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1	479226127	QIWFYGYKWQKXHO-UHFFFAOYSA-N	405.914	5.579	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1F	479481612	QSIFPKYDSNSPME-QHCPKHFHSA-N	408.860	5.001	30	20	HKED	
C[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	479498179	QELCWVCUIKTAKW-UONOGXRCSA-N	421.488	5.035	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	480260072	GCAYOXTXECVZLL-GOSISDBHSA-N	423.904	5.021	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)cs1	480571072	GVYRZPCLFFZDKU-OAHLLOKOSA-N	402.523	5.040	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1	480809473	YMKPUXZIVOGBMH-LJQANCHMSA-N	404.470	5.246	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCCc3c(O)cccc32)cc1	481200421	GENJYOPCQFCMIO-QFIPXVFZSA-N	414.530	5.364	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1	481372604	PGQOOFZXFUXZIE-UHFFFAOYSA-N	406.898	5.404	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1ccccc1Br	482506604	IXYGSFXUNOOEKI-FPOVZHCZSA-N	411.343	5.070	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	482928235	DLXYIQRBQIMMNZ-IBGZPJMESA-N	416.496	5.429	30	20	HKED	
CCc1cc(=O)c2cc(NC(=O)c3ccccc3Oc3ccccc3C#N)ccc2[nH]1	483068289	PJWCIDMJQYYOFA-UHFFFAOYSA-N	409.445	5.007	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nccc3ccccc23)c1	483217905	OEIITPXAFQQWKQ-XMMPIXPASA-N	403.441	5.176	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1	483288516	YSNBLMRGPNPPMI-COPCDDAFSA-N	418.459	5.283	30	20	HKED	
CCOC(=O)c1cccc(N(CC)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	483326385	QILYYIPHSDISOG-UHFFFAOYSA-N	414.461	5.194	30	20	HKED	
N#CCCC[C@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccccc1	487625990	IQRUTORWIDGKAU-NRFANRHFSA-N	423.969	5.481	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1cccs1	489447196	PDDFIPLPILOFPL-ZDUSSCGKSA-N	418.975	5.274	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCC(C)(C)CCC#N	495427413	RDYXUNKOPLWZHR-AWEZNQCLSA-N	404.967	5.462	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	497160994	KQGSZSNNONBOPY-NHCUHLMSSA-N	420.513	5.177	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4c(F)ccc(F)c4c3)n2)cc1	497362868	JSOXACPLJRAMHB-INIZCTEOSA-N	421.428	5.135	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1	498128447	ZLDFESNSGBDZTM-UHFFFAOYSA-N	407.495	5.090	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@H](C#N)c3ccccc3Cl)c12	499934945	ZTXGEYVQEUTXIE-QGZVFWFLSA-N	420.856	5.254	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1	504590775	SGYMOEMYUKFNJO-INIZCTEOSA-N	401.413	5.190	30	20	HKED	
N#CCCn1cc(CN2CC=C(c3c[nH]c4ccccc34)CC2)c(-c2ccccc2)n1	507861516	SAWUMRJIANJXJP-UHFFFAOYSA-N	407.521	5.234	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)cc1Br	509911264	PAMZDKPXVNNUJX-ZDUSSCGKSA-N	418.241	5.301	30	20	HKED	
CCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)o1	513617320	PUBAIJNUAUKTOD-GFCCVEGCSA-N	406.294	5.466	30	20	HKED	
Cc1nc(C)c(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)s1	514576186	ZZQKOBZYPMAPFC-UHFFFAOYSA-N	416.531	5.674	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	517655714	RXFJVUMTOPLYNV-UHFFFAOYSA-N	411.461	5.456	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	518373169	LZYAIBRJDDWLNW-UHFFFAOYSA-N	400.478	5.216	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4nc(C5CC5)sc4c3)cc2)nc1	518378567	VSPPXIZGBHYSNS-UHFFFAOYSA-N	412.474	5.485	30	20	HKED	
N#Cc1ccc(CN(CCCOc2ccccc2)C2CCOCC2)c(C(F)(F)F)c1	519573352	RDFHRUITZNALAU-UHFFFAOYSA-N	418.459	5.027	30	20	HKED	
CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	520835264	FJVZUEVQLNEUHE-CYBMUJFWSA-N	424.551	5.271	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	521631045	LEBWISWMLYIQLR-UHFFFAOYSA-N	417.465	5.372	30	20	HKED	
CC(C)NC(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	523136397	MYQWSFMATVCEIN-UHFFFAOYSA-N	413.481	5.084	30	20	HKED	
N#Cc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2o1	524467382	OFZXNXIBOAGIGC-UHFFFAOYSA-N	420.060	5.082	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1cccc(Br)c1	530591560	GPVAEJRZHSHKQK-CQSZACIVSA-N	403.345	5.272	30	20	HKED	
C=C[C@@H](CC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1)c1ccccc1	534650625	BHFNBICFXDOQRK-KRWDZBQOSA-N	401.453	5.148	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C1CC1	534965665	CMQSPIZTWIIOPS-INIZCTEOSA-N	415.497	6.039	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](CCCO)c2ccccc2)c1	535631907	MUTJPOHENSDCMV-QFIPXVFZSA-N	420.896	5.248	30	20	HKED	
COCCOc1ccc([C@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1OC	538112801	KQFXMWAYNDDDNG-IBGZPJMESA-N	416.521	5.110	30	20	HKED	
CCOc1ccc2nc(-c3ccc(NCCCC4(C#N)CCOCC4)cc3)sc2c1	539711785	ZERLIESIBLRJDV-UHFFFAOYSA-N	421.566	5.874	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	540402649	YILRQTPBQMVFJG-OAQYLSRUSA-N	401.470	5.060	30	20	HKED	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1	542759757	FFYTXJPMSPGOOK-RRQZXNHTSA-N	410.521	5.474	30	20	HKED	
N#Cc1cccc(/C=C\c2nc(Cc3nc(-c4c(F)cccc4F)cs3)no2)c1	544473006	UWGROLDIPQHAIU-FPLPWBNLSA-N	406.417	5.104	30	20	HKED	
CO[C@H](CSCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	549570607	BAPVZSBRJHEORI-VQIMIIECSA-N	400.569	5.140	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	553404154	QFGJNWKJCGTVDL-IERDGZPVSA-N	409.555	5.488	30	20	HKED	
CCCCc1ccc([C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	554594531	OEROWJZSVZWEMP-XMMPIXPASA-N	418.585	5.388	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)N(Cc2ccccc2)c2ccccc2C#N)s1	566948509	WMOFBSADEIBHBI-UHFFFAOYSA-N	405.523	5.052	30	20	HKED	
N#Cc1cc(Br)ccc1CN[C@@H](c1ccc(F)cc1)c1cccs1	570968319	BYITVXAPUMQZEH-IBGZPJMESA-N	401.304	5.401	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	583619355	PAZFHLKKQVDTMA-QFIPXVFZSA-N	412.524	5.634	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(=O)c1ccccc1	602092417	WXSLEIWAMNDEKC-LJQANCHMSA-N	412.489	5.179	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc3ccccc3c2)cc1	603508657	FPRFBBCWQSZIDI-UHFFFAOYSA-N	408.526	5.934	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(COCc2ccco2)c1	603612480	HGXGFNQRYHLTCH-UHFFFAOYSA-N	422.484	5.465	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(C4CC4)nc4ccccc34)cn2)c1	603627101	QQCZIYSTKQBHNE-UHFFFAOYSA-N	406.445	5.423	30	20	HKED	
N#Cc1c(F)cccc1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1	603859690	SEVISIHWZHFBCD-UHFFFAOYSA-N	403.457	5.107	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)n2)cc1	604528048	GQHBWBQACDTJQE-IAGOWNOFSA-N	424.323	5.186	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1Cl	608993230	XBTWDAILQDJTTD-KRWDZBQOSA-N	410.688	5.124	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)cc2)c1	609063573	DMALJTNUHWMCBB-WOJBJXKFSA-N	402.416	5.444	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(F)c(C#N)c1	609102592	WPIQJRHAIIVQLY-UHFFFAOYSA-N	405.376	5.400	30	20	HKED	
N#C[C@@H](NC(=O)CCSc1ccccc1)c1ccc(OCc2ccccc2)cc1	609171800	CLWHYISVVFCVRG-HSZRJFAPSA-N	402.519	5.129	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609176642	QMCGWFPYBCKCNX-OAHLLOKOSA-N	419.462	5.378	30	20	HKED	
CC(C)CCSc1ccc(C(=O)N(C)c2ccc(C#N)cc2F)cc1[N+](=O)[O-]	609217238	AOWHMXLYMLPTRD-UHFFFAOYSA-N	401.463	5.020	30	20	HKED	
Cc1ccc(C)c(OCCSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	609387584	VGKHSSMYYXONJT-KRWDZBQOSA-N	414.596	5.306	30	20	HKED	
COc1ccccc1CC1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	609402041	WNEXFNCXICRUFF-SFHVURJKSA-N	423.582	5.434	30	20	HKED	
CN(C(=O)c1cccc(Sc2cccc(Br)c2)n1)c1cccc(C#N)c1	610173168	ULBILXHXIFOYGL-UHFFFAOYSA-N	424.323	5.144	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610321045	DVGHMLIRTIAAIQ-OPAMFIHVSA-N	416.456	5.500	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2	610598306	HKYOZMVKWOFCCY-PKTZIBPZSA-N	424.548	5.188	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cn2)cc1	610629536	MDACFHFYATVDBB-GOTSBHOMSA-N	423.476	5.049	30	20	HKED	
CC(C)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCCCO1	610717896	VDCWINNNGVCYQW-QHCPKHFHSA-N	421.541	5.048	30	20	HKED	
C=CCN(C(=O)c1cncnc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	611788567	RMPWWTJLSGSMCF-UHFFFAOYSA-N	405.310	5.048	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1	612502209	QUAIQAGBQCVMNO-INIZCTEOSA-N	411.221	5.053	30	20	HKED	
Fc1ccccc1-c1ccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1	642198135	YRHSPZYCCAHZTJ-RYUDHWBXSA-N	409.345	6.085	30	20	HKED	
C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	676874283	JXAAIBKYRYWUAH-MXWKQRLJSA-N	403.313	5.048	30	20	HKED	
Fc1ccc([C@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc2)nc1	680336364	GAQRDZLDWWPINB-YQYZPQCESA-N	420.372	5.809	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1Cl	726469176	ZNRRCBNJECHBOA-UHFFFAOYSA-N	401.322	5.101	30	20	HKED	
CCN(C[C@@H](C)C#N)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S	726963518	FLIZIKLXMMCFCR-HNNXBMFYSA-N	403.983	5.289	30	20	HKED	
COc1cc(C=NNc2ccc(OCC(F)(F)F)cc2)ccc1OCC(F)(F)F	727257824	GEAVGFRLRVXAAD-UHFFFAOYSA-N	422.325	5.023	30	20	HKED	
Cc1csc(-c2cccc(OC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)n1	728474693	WLHBKCFIDWLTRT-UHFFFAOYSA-N	409.536	5.008	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	731332160	FBFWXZFTAUVAKS-XSLBHYSZSA-N	408.523	5.306	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)c1	732709019	XOZHRLKPEGRJBK-KRWDZBQOSA-N	410.926	5.948	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1Oc1ccncc1	734705989	ZIEDYEHVOYUKJO-JOCHJYFZSA-N	421.456	5.297	30	20	HKED	
CCN(CC)C(=O)[C@H](SCc1cc(Cl)ccc1OCC#N)c1ccccc1	735320305	QEZZGZJSZRGHLX-HXUWFJFHSA-N	402.947	5.085	30	20	HKED	
CSCC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	736971453	FNVKUVOVHSAQAO-AWEZNQCLSA-N	403.935	5.054	30	20	HKED	
CCN(Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1)C(=O)OC(C)(C)C	737001835	CMZKXLOFFDIQTE-KRWDZBQOSA-N	422.529	5.198	30	20	HKED	
COc1ccc(Cl)c(NC(=S)NCc2cccc(-c3ccc(C#N)s3)c2)c1	743003250	LWJVUQVWZAEKAA-UHFFFAOYSA-N	413.955	5.435	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1ccccc1F	743094871	DJRDDPFBHXCOGE-UWJYYQICSA-N	403.457	5.070	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)CCc2cccs2)c1=S	743383497	COMGLRBHFVZODF-UHFFFAOYSA-N	404.992	5.114	30	20	HKED	
CCC(CC)c1cc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)on1	743625847	PMVBUENCYISIHE-UHFFFAOYSA-N	408.527	5.178	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038387	SMDHIPNROFTKSG-JSGCOSHPSA-N	421.369	5.820	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)[C@H]1CCc2ccccc21	747527466	APJNITONDHIGPY-QFIPXVFZSA-N	419.525	5.090	30	20	HKED	
Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5cccc(Cl)c54)c23)cc1	750934701	HGDWMULQQLYUSK-UHFFFAOYSA-N	419.897	5.088	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1OC	756113908	IHUFTNXVTUKPKC-DPCFLFMUSA-N	414.571	5.381	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C)c1ccncc1	759579054	ANNLFHZJRMDOCI-XLIONFOSSA-N	406.555	5.533	30	20	HKED	
Cc1csc(SCc2c(C(=O)Nc3ncc(C#N)s3)oc3ccccc23)n1	759634970	ZPOXZQAJMGKSMP-UHFFFAOYSA-N	412.521	5.071	30	20	HKED	
COc1cccc2c1C/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	759664067	IHSCBWUUFGNLPO-VBKFSLOCSA-N	403.865	5.423	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccccc2C)c1=S	764903054	WPSGFHDBMRCPME-OAQYLSRUSA-N	405.571	5.155	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C)C[C@H]2c2ccccc2F)c1=S	765042638	ZYXWQQXJPZAIGQ-UWJYYQICSA-N	423.561	5.232	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2[nH]ccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	765915802	MSVIPUVJHSNVKD-IJJSQOHJSA-N	411.408	5.686	30	20	HKED	
CC(C)CN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(C#N)cc1	771642523	RMCRQOLWUXZBMY-UHFFFAOYSA-N	407.514	5.137	30	20	HKED	
CC(C)(C(=O)Nc1ccc(CC#N)cc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1	778544689	IYJKPYXETMZESP-DEOSSOPVSA-N	414.505	5.030	30	20	HKED	
CCCOc1c(Br)cc(CNc2ccccc2O[C@H](C)C#N)cc1OC	779989407	RXVZWFWSBGXFAJ-CQSZACIVSA-N	419.319	5.149	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1	780154598	WGTJIUAWPPDZAQ-HNNXBMFYSA-N	402.416	5.447	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	790624404	ZKURBPJZHRQEDW-OPAMFIHVSA-N	418.459	5.254	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(C#N)ccc1OC(F)F	793388931	CKCFXTYXZGLHKE-UHFFFAOYSA-N	417.412	5.067	30	20	HKED	
COc1cccc([C@H](Nc2nc(Cl)c(C#N)s2)c2cc(F)ccc2OC)c1	804531815	UDVDJXGXKXOXFK-KRWDZBQOSA-N	403.866	5.026	30	20	HKED	
C=C(CNC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC)c1ccccc1	805250525	RZADYZAKLLLIPM-UHFFFAOYSA-N	416.905	5.139	30	20	HKED	
CCO[C@H](c1noc(-c2ccc(C=NOC)cc2)n1)c1ccc(F)cc1C(F)(F)F	809532901	OLKFFYBZJQYOMM-KRWDZBQOSA-N	423.366	5.001	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1O	811592931	FWEQBBQUJBRHFO-UHFFFAOYSA-N	401.466	5.185	30	20	HKED	
N#CCCC[C@H](NS(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccccc1	814288296	VIUCBLDQAUKJGK-KRWDZBQOSA-N	414.474	5.012	30	20	HKED	
C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(C(F)(F)F)nc1Cl	817870321	NHHCPFOCDCELAQ-SSDOTTSWSA-N	422.621	5.423	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)CCc1nc(C(C)(C)C)no1	915133190	MDNKHFUKLUKDLW-UHFFFAOYSA-N	414.575	5.076	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)n1-c1nccs1	915200300	YBIYLDITAZATLJ-JOCHJYFZSA-N	412.518	5.458	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC([C@H](O)c2ccccc2)CC1	915343145	POOTZFBIMMYXTA-XMMPIXPASA-N	416.546	5.125	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(Cl)c(Cl)c2)cs1	916249727	HMWVVSVBUHPNQK-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
Cc1cccc2cc(C=Nn3c(S)nnc3-c3cccc(Cl)c3)c(Cl)nc12	916345235	WNKCPSDMNNHBCH-UHFFFAOYSA-N	414.321	5.279	30	20	HKED	
CCOc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916628250	OEGAQGPNFPFLGY-OAQYLSRUSA-N	420.534	5.553	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(C)n1	916880745	WHOINSXSCCZUIE-ABCZVMIZSA-N	413.321	5.021	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)s1)C(=O)Nc1ccc(SC(F)F)cc1	916888783	YMKPOBPVNZTENQ-VUDGCMKMSA-N	412.870	5.077	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)NC1CCCCC1	916895954	YGOCVMRGEOKABC-ANGAQGJPSA-N	412.942	5.239	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928184	VZDPSKCEBBWMCM-OAHLLOKOSA-N	407.322	5.132	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1-n1cccc1	916928910	YFPOLQUWQAXQCC-MRXNPFEDSA-N	412.276	5.054	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917044348	SSUBSFJIYPYFGD-WBVHZDCISA-N	411.452	5.507	30	20	HKED	
N#CCCCOc1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1	917727780	HLQHAGPICOQGPA-AJHHTPGJSA-N	417.347	5.042	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141902	NGEAHCKCRXDVOA-KUHUBIRLSA-N	419.531	5.047	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(F)cccc4Cl)CCC3)cc2)C1	1785808140	RXCCVHLQKMQSPH-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1	1791576707	BQJABOXZFYSHCJ-LBPRGKRZSA-N	423.365	5.059	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1cccc(C)c1	22299121	NVSSSTTVXOYATJ-UHFFFAOYSA-N	417.534	5.455	30	20	HKED	
Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2c(F)cccc12	32289417	DGZYGPXVXOHUOS-UHFFFAOYSA-N	400.409	5.583	30	20	HKED	
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(OC(F)F)cc1OC(F)F	49768890	CIFVBHZHKQEKAH-UHFFFAOYSA-N	411.273	5.089	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F	63469646	ZKHBPWPOLJNRFR-UHFFFAOYSA-N	411.811	5.068	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(F)c(Br)c1	303249426	BOOMJAWRCJDWLE-GFCCVEGCSA-N	407.308	5.021	30	20	HKED	
CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2ccccc21	303289905	MFSTZSWMUVTWID-HNNXBMFYSA-N	410.568	5.039	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)cc1Cl	303332258	WUSYYGJIUCKNJO-NSHDSACASA-N	409.736	5.607	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1	303842840	MIGMORGCPMRTBS-FDDCHVKYSA-N	414.480	5.295	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)cc1	409944630	BBDIOCPNUQTFQY-WOJBJXKFSA-N	415.320	5.039	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N(CCC#N)CCC(C)C	428900324	MIKCZPQUBQWVMK-UHFFFAOYSA-N	421.520	5.482	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1	431386149	XZOLUSSWCVWVQW-DVECYGJZSA-N	414.509	5.669	30	20	HKED	
CC[C@H](C)Sc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)c(C)c1	435134309	HLZMCUTYACMRGD-SFHVURJKSA-N	405.571	5.670	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1cc(C#N)oc1C	435450890	ADMLFCMKVXXJHB-UHFFFAOYSA-N	416.456	5.757	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	438044208	XLIFUNGEAHOKEH-SLYNCCJLSA-N	404.539	5.242	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1OCC(F)(F)F	438160527	OMHUNLLSHMXSGQ-WMZOPIPTSA-N	421.394	5.070	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cc(C#N)oc1C	439073336	BUDKWQOVADGDQU-UHFFFAOYSA-N	416.456	5.757	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1	439342162	RFMVNTXKQWDUBX-UHFFFAOYSA-N	421.394	5.144	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@H]3C)o2)cnn1-c1cccc(C#N)c1	440072668	NXCPSVZBQAZTAN-XFWGSAIBSA-N	414.509	5.155	30	20	HKED	
N#CCCCn1cc(C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc21	443942983	BEOVHVJDOUHXOF-UHFFFAOYSA-N	403.507	5.442	30	20	HKED	
Cc1cccc2nc(C3CCN(C(=O)Nc4ccc(C(C)(C)C#N)cc4)CC3)oc12	444778909	JUEBWYUQUWLRER-UHFFFAOYSA-N	402.498	5.349	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc1	445402681	MTKIHDMDDLNGNU-UHFFFAOYSA-N	421.416	5.426	30	20	HKED	
CSc1cccc([C@@H](NC(=O)Cc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1	464134790	POXLNUCDBQKCTF-HSZRJFAPSA-N	408.473	5.007	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	465570807	MOQSFUPCJWUKCK-YSSFQJQWSA-N	401.432	5.248	30	20	HKED	
CCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C	466609956	KBZBFIVGESCZMY-FQEVSTJZSA-N	412.509	5.024	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ncoc2-c2ccccc2)cc1	467610487	KFAZIMMYMOVIEJ-UHFFFAOYSA-N	413.408	5.075	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(-c2ccncc2)cc1	467777553	RCQQQXAOHIFWTJ-OAQYLSRUSA-N	419.528	6.050	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3cccc(C(F)F)c3)cc2F)c1	468310906	QPYMADJOCFTUIY-UHFFFAOYSA-N	410.395	5.395	30	20	HKED	
COCCC1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCC1	473716773	SSLPMCGFAZMIFP-HXUWFJFHSA-N	411.933	5.324	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)n1	474448631	SYZJTSJTAYBILN-MRXNPFEDSA-N	408.527	5.395	30	20	HKED	
Cc1c(NCc2cccc(OCc3ccccc3C#N)c2)cccc1NC(=O)N(C)C	475357681	WQVXPOGICDDACC-UHFFFAOYSA-N	414.509	5.151	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1	475458887	BRPMVUATPVGVIF-UHFFFAOYSA-N	404.514	5.148	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O	475548282	JAXOAHWPXYTFOT-FQEVSTJZSA-N	411.933	5.119	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1	476122493	KJSULPKTXMNZBU-PMACEKPBSA-N	406.570	5.400	30	20	HKED	
Cc1ccc(Br)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	477328898	IOPSLVXLNVRYTB-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCCc2cccnc21	480563118	JVTHBZAALVPQFL-YLJYHZDGSA-N	408.571	5.797	30	20	HKED	
N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccc2ccccc12	483209136	JLDIGFAIVPORQR-INIZCTEOSA-N	408.301	5.762	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1nccc2ccccc12	483213878	WJDSKZNAWKTTFA-CQSZACIVSA-N	419.200	5.506	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1nn(-c2ccc(F)cc2)c2c1CCC2	486052859	POUQCLXVKUFLOC-INIZCTEOSA-N	406.530	5.506	30	20	HKED	
CSc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1[N+](=O)[O-]	486232320	OIWLHOLRNYMEKB-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1C(C)(C)C	487062014	ORMJLXRRYOQUQQ-IBGZPJMESA-N	420.944	5.762	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	488313104	ARBLDZAVYZHTDO-KBXCAEBGSA-N	403.935	5.243	30	20	HKED	
N#Cc1ccc(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)cn1	490365441	KFROJODHHVMRQS-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C=CCn1c(SCCOc2ccccc2C(F)(F)F)nnc1-c1ccoc1C	496589652	DQRCRZWRHQQAEM-UHFFFAOYSA-N	409.433	5.222	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	500333960	VWKKMXHZMKOFDT-LEWJYISDSA-N	400.444	5.365	30	20	HKED	
CCCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)nn(CCC#N)c1C	502777288	AQYSADKSNQWZMT-UHFFFAOYSA-N	420.557	5.094	30	20	HKED	
N#C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1	505959023	DAHJWODKOQXXOV-QGZVFWFLSA-N	417.456	5.409	30	20	HKED	
C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccc(NC(=O)Nc2ccccc2)cc1	506511488	PCWNJEYRLBQLLJ-OAHLLOKOSA-N	418.884	5.347	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C(F)(F)F)cc1	506641986	JBXJOKYVQKWFIV-ACJLOTCBSA-N	423.460	5.515	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1	508275630	QGPVINWNGZUBAV-SFTDATJTSA-N	401.514	5.026	30	20	HKED	
C=CCN(C(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1)c1nc(-c2ccccc2)cs1	510330598	YHCVRVUGEVVFSN-KRWDZBQOSA-N	422.550	5.225	30	20	HKED	
COc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	510694316	XFQZBVIGLGTKGS-KRWDZBQOSA-N	401.466	5.550	30	20	HKED	
Cc1cc(OC(F)F)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)s1	510848409	ZWJCIDILBFHGDX-UHFFFAOYSA-N	414.433	5.361	30	20	HKED	
CCCCCn1c(SC[C@H](C#N)CCC#N)nc2sc3c(c2c1=O)CCCC3	514118114	FJXDTTCCIBISID-HNNXBMFYSA-N	414.600	5.063	30	20	HKED	
CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc2ccccc2s1	516692658	HRGYPYIWOUCEOA-UHFFFAOYSA-N	413.502	5.414	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1	516760615	ZAFGFWQGKNNDOH-MRXNPFEDSA-N	422.447	5.095	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCSCCCc2ccccc2)n(Cc2ccco2)c1C	521099866	YYSZWDACPZWCED-UHFFFAOYSA-N	421.566	5.313	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl	522458560	OPVUWZPNONWNBQ-QRWLVFNGSA-N	401.963	6.111	30	20	HKED	
Cc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1Oc1ccncc1	523534205	UQCNZSAMTOLSCL-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H](C)c1cccc(OC)c1	524490970	KVCOEDHLTMHYFR-LJQANCHMSA-N	414.505	5.369	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	525503792	ZWUWSLMJWXASAP-QMMMGPOBSA-N	403.693	5.777	30	20	HKED	
N#CCc1ccnc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)c1	532180719	WNLFYQVGALOIDF-UHFFFAOYSA-N	417.852	5.379	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)[C@@H](C)c1ccc(C#N)cc1	533921824	WMYUTSXGHJHVER-KRWDZBQOSA-N	417.534	5.404	30	20	HKED	
N#CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1	534637169	AQGSPYVHZJSOQM-NRFANRHFSA-N	405.295	5.035	30	20	HKED	
CCc1nc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n[nH]1	535198157	VIUINUDVQOCORC-UHFFFAOYSA-N	423.476	5.259	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1nnc(-c2ccsc2)s1	537572798	PDDMEXLJJOSVFM-UHFFFAOYSA-N	404.476	5.183	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)C[C@H](c3ccccc3)c3ncc[nH]3)c2)c1	553313549	PYFPBJLPLWDIOE-XMMPIXPASA-N	422.488	5.021	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCOc1cccc(C(F)(F)F)c1	558755872	UJYDEHKEAYYRGP-UHFFFAOYSA-N	420.818	5.323	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)CC2	562832339	CUPSZPJVTFWKOR-HNNXBMFYSA-N	420.456	5.388	30	20	HKED	
Cc1ccccc1C1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1	570556898	CBORIMTWIXDENO-UHFFFAOYSA-N	412.493	5.466	30	20	HKED	
C[C@@H](Sc1cccc(F)c1C#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	572218253	IKODCKISRXTGJS-SECBINFHSA-N	402.800	5.489	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CN[C@@H](C)c4ccc(C#N)cc4)nc(O)c23)cc1	576010359	JPDILDOYIHRMAV-HNNXBMFYSA-N	414.534	5.403	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cccc(Oc4ccncc4)c3)cc2)ccn1	577252998	LHAUIYXAOZTVRJ-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H](C)c1ccc(C#N)cc1	603510542	WYAAXNYOYWVNBZ-LJQANCHMSA-N	406.489	5.210	30	20	HKED	
CSCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)oc2ccccc12	603836907	FZVWBLNAIRHWKE-KRWDZBQOSA-N	418.543	6.218	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1	606570940	KIQTVRRXUYVZSV-NZQKXSOJSA-N	407.558	5.158	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cl)c3ncccc23)c1	608803648	FVGUWJZDTZFQBD-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
CC[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C)cs1	609724127	VPTYAQTVIZFGIW-SFHVURJKSA-N	411.914	5.650	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CNc2ccccc2SCC(F)(F)F)c1C	610737951	YDTBFVVBFDWTOL-UHFFFAOYSA-N	421.488	5.317	30	20	HKED	
O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1c(F)c(F)cc(F)c1F	622392444	FOBJLPYMIJQHTR-UHFFFAOYSA-N	405.313	5.114	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCCC[C@H](COC)C1	685540501	VZYIGVIEDBISTQ-UXHICEINSA-N	420.557	5.010	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](c3ccccc3C)C2)c1=S	725777222	CAUONTWZUGVQOU-IBGZPJMESA-N	420.582	5.031	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	730422054	SKCMTNNIRJJEAU-ZDUSSCGKSA-N	408.376	5.143	30	20	HKED	
N#Cc1ccc(CSCC(=O)O[C@@H](c2ccc(Cl)cc2)c2cccnc2)cc1	730427470	CNUZLLYWEHBAFA-QFIPXVFZSA-N	408.910	5.173	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1C#N	734423251	KDGYDVHWCBPGKK-UHFFFAOYSA-N	406.536	5.237	30	20	HKED	
N#CCCCOc1cccc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)c1	741841331	FYMQSUCXGULSCS-IZZDOVSWSA-N	405.441	5.920	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1F	743035151	FKKOZLLAORVBKG-UHFFFAOYSA-N	411.433	5.446	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1cccc(F)c1	743093398	TWABPEPUOROJHO-UZUQRXQVSA-N	403.457	5.070	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cc(F)ccc1F	743440787	YQPAXBFKTXZTBO-UHFFFAOYSA-N	407.346	5.062	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)s1	744036750	HYUUJGXZEIYTEW-WCQYABFASA-N	417.353	5.614	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1)c1ccncc1	745828333	SBSQZCSYGDORSB-MBSDFSHPSA-N	401.510	5.435	30	20	HKED	
N#Cc1ccc(CCC(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1	746436462	GXKSTNSIWAGMKJ-KRWDZBQOSA-N	401.306	5.356	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1	748010102	OYZWVBHBGOJGEH-GFCCVEGCSA-N	413.289	5.279	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)CSCC(=O)c3ccc(Cl)cc3)cc2)cc1	748522196	GMBCROMYBAVZQC-UHFFFAOYSA-N	421.905	5.400	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1	749949721	PGPKDJJQQDYLPR-LJQANCHMSA-N	418.415	5.099	30	20	HKED	
Cc1ccc(CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1	751151984	ISQKLHAPJHKKLO-INIZCTEOSA-N	408.495	5.042	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(CCC(F)(F)F)CC2CC2)c1=S	753110057	WTNNBHIXCAKPJZ-UHFFFAOYSA-N	414.472	5.028	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(F)cc(F)c2O)cs1	757476715	RHHOOIZOLKRMOW-YVMONPNESA-N	414.433	5.016	30	20	HKED	
CCN(C(=S)Nc1ccccc1C#N)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1	759673254	IGZSNDGJBSGPSC-GOSISDBHSA-N	415.562	6.014	30	20	HKED	
N#C[C@@H](C(=O)/C=C/SCc1ccco1)c1nc2cc(C(F)(F)F)ccc2s1	759819716	MAOIPGKZUNTAAY-IYNGYCSASA-N	408.426	5.531	30	20	HKED	
Cc1ccc(-c2ncc(/C=C/C(=O)c3cc(Br)ncc3F)s2)cc1	762421250	HYXNEVMPPGVTQQ-VOTSOKGWSA-N	403.276	5.311	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1	764055584	URCPXULFUGRYRP-JWQCQUIFSA-N	410.521	5.450	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccc(F)cc2)cc1)c1cccc(N2CCOC2=O)c1	764431738	FFHWFOBBZXCMQZ-JYRVWZFOSA-N	417.436	5.257	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1	764831258	INIMXHLNJXYLKM-SFTDATJTSA-N	411.288	5.321	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CC(OCc3ccccc3)C2)cc1	766238725	UUJGILVNDQYTFY-DDJHWDJXSA-N	411.505	5.211	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(C)cc4O)c23)cc1	767176330	VYWQQBZLCJLGID-UHFFFAOYSA-N	404.495	5.217	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2cc(Cl)ccc2OC)ccc1OC	772987126	STHLQETZFSEYMZ-IEBWSBKVSA-N	402.922	5.279	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2SCC#N)sc1Cc1ccc(F)cc1F	773555621	YKWMGZMAAVXSQB-UHFFFAOYSA-N	415.490	5.189	30	20	HKED	
C=CCSc1ccccc1C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1	777163443	JVZIJBSXKPOUTC-QHCPKHFHSA-N	419.546	5.007	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1OC	779102224	SGPVGRYYBFOFHP-JOCHJYFZSA-N	422.475	5.534	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	780163208	KUOFLJPJXBVAOQ-AWEZNQCLSA-N	410.832	5.815	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1	780166853	MSFKKSURFFUWNO-AWEZNQCLSA-N	410.832	5.815	30	20	HKED	
C#CCCCCCC(=O)OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	780258801	PLSOJRGIAJHVNU-UHFFFAOYSA-N	404.919	5.108	30	20	HKED	
N#C[C@@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccc2ccccc2n1	780300620	BWJPZHDIBIUNLO-OAQYLSRUSA-N	416.484	5.052	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	789455043	HKVCVBRHHCIQRF-SFHVURJKSA-N	415.578	5.259	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790523143	NBBVDEOWTYKLGK-UHFFFAOYSA-N	421.541	5.277	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccccn2)nc2ccccc12	790813585	QLMVWUNCFRIDPD-BKMJKUGQSA-N	418.500	5.209	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(Cl)cc2-n2cncn2)ccc1SC(F)F	794934766	NAAKUXSPBKXMBW-ZZXKWVIFSA-N	421.856	5.140	30	20	HKED	
N#CC1(CCCOC(=O)c2csc(-c3cccc4ccccc34)n2)CCOCC1	800195479	JJAGLYICGLHYIJ-UHFFFAOYSA-N	406.507	5.221	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)O[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1	803833449	VKKWVBXMVGFXHW-HXUWFJFHSA-N	415.836	5.208	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1cc(F)c(N)c(F)c1	814765851	UMPYTHIGIIIOOE-UHFFFAOYSA-N	413.428	5.194	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1=S	914566676	AOTGWDDNAATIBI-LJQANCHMSA-N	411.962	5.110	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1	915086990	ZCOWOSOOKYTQBS-IBGZPJMESA-N	410.395	5.378	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cccs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	915102729	FWIBWXIXYHSQKK-YWWNBQKISA-N	424.591	5.512	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2nc3ccccc3s2)cc1	915353643	PUZDZLHYUSWLGK-HXUWFJFHSA-N	412.518	5.316	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(-c3ccccc3)no2)cc1	915683812	IFADMRBKSVBHIP-QHCPKHFHSA-N	408.461	5.319	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)ccc2N1	915993284	MWBCJPWSKZKLGA-JXMROGBWSA-N	404.447	5.104	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	916653149	JNIVPVPFIBVWAH-HXUWFJFHSA-N	402.906	6.036	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccs3)n2)cc1	916915596	LNRLUPZBVQBTJC-INIZCTEOSA-N	409.536	5.175	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CN3CCCCC3)cc2)cc1	916956143	YAVWXGZKAUYRNQ-CYFREDJKSA-N	417.553	5.147	30	20	HKED	
O=C(C(=NN=C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1)c1ccccc1	917531367	LVFVPIYKHXXBIO-UHFFFAOYSA-N	421.500	5.179	30	20	HKED	
C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c(F)cccc1F	918101775	NLLQPLXIQITNHA-GUBZILKMSA-N	418.328	5.235	30	20	HKED	
CSc1nc(O)c(C(=O)N(C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1C#N	1533451305	UHKWBMRIOQCTGW-UYAOXDASSA-N	413.587	5.124	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3S)cc2)CCC1	1785846691	WSZFUQVMDYEHIP-UHFFFAOYSA-N	423.582	5.110	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3C)cc2)CCC1	1789964802	BFBDSDMOJXIOIG-UHFFFAOYSA-N	419.569	5.439	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3OC)cc2)CCC1	1790230438	JMARJINWDCQCIK-OAQYLSRUSA-N	418.537	5.211	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl	1799547347	TZJDWDHDTNHFIG-YVSFHVDLSA-N	421.368	5.014	30	20	HKED	
Cc1ccc(NC(=O)Cc2nc(-c3cn(CCC#N)c4ccccc34)cs2)cc1	7844274	TUMDCSTWROXPHV-UHFFFAOYSA-N	400.507	5.168	30	20	HKED	
Cc1nc2cc(F)ccc2cc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	32039950	XJNRDEFUDGZNDB-VXGBXAGGSA-N	422.344	5.322	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccsc3)c2)cc1	47570412	KCHWOPOXCVXNFC-HSZRJFAPSA-N	417.534	5.762	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1	55570187	HBJGEYYZRGEAHW-UHFFFAOYSA-N	417.440	5.013	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(SC)ccc2C)cc1	60354650	WASUVEPESWNWHU-UHFFFAOYSA-N	404.491	5.642	30	20	HKED	
COc1cc(C(=O)/C=C/c2cccc(OC)c2OC(F)F)ccc1SC(F)F	63874728	HHEREFWCXVBRQH-SOFGYWHQSA-N	416.392	5.516	30	20	HKED	
CC[C@@H](C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	115252070	JWXXVMAJRJVCMX-RXMQYKEDSA-N	416.202	5.017	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)cs1	195662709	PFZIUYCQDIZPDB-HNNXBMFYSA-N	416.333	5.711	30	20	HKED	
COCc1nc(NCc2ccc(C#N)cc2F)c2c(-c3ccccc3)csc2n1	301158429	DTUCXIWZDOKTFR-UHFFFAOYSA-N	404.470	5.128	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C#N)cc2Cl)cc1	426132884	CYNYXUKDSXHKCE-UHFFFAOYSA-N	418.859	5.457	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2nc3c(ccc4ccccc43)s2)c1-c1ccccc1	428310065	FVHDYDKDJGPUGO-UHFFFAOYSA-N	423.501	5.479	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1ccccc1Sc1ccc(Br)cn1	432842000	SOLVJZAPGBUCAN-UHFFFAOYSA-N	424.323	5.428	30	20	HKED	
Cc1cc(F)ccc1C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	433145517	QSBJKVDJAYPTGR-QGZVFWFLSA-N	411.546	5.940	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	433224314	YQGNHVMIDWQQRC-WPRPVWTQSA-N	420.300	5.502	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1	434367106	OKKXRLAODOSYMR-OAQYLSRUSA-N	416.443	5.026	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F	436020351	ZKXWBBFDWCKLAW-NSHDSACASA-N	418.437	5.040	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(F)c(O)c(Cl)c3)c2)cc1	436902539	QIFJJOVXAKKWAE-UHFFFAOYSA-N	410.832	5.082	30	20	HKED	
CCc1ccc([C@@H](COC)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1	438035081	WTZCCDYZOXEXBJ-OAQYLSRUSA-N	405.454	5.015	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCC(C)C	438848706	QCQVNSYOOYVZQI-NQIIRXRSSA-N	409.530	5.135	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N(C)c2ccc(C#N)cc2)c2cnn(C(C)C)c2n1	440048326	HAGTVCXBOBWLJR-UHFFFAOYSA-N	409.493	5.136	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1NC(=O)CC(C)C	442675519	ZGUCHADCUQLGHN-IBGZPJMESA-N	417.534	5.593	30	20	HKED	
N#Cc1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1C(F)(F)F	443875333	DXXSAEFDZTWFRL-UHFFFAOYSA-N	417.412	5.104	30	20	HKED	
COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1OC	460343191	LWZMKUWJLFKUSU-UHFFFAOYSA-N	420.896	5.005	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C)c1cccc(C#N)c1	463396804	MXGWLSRLYBBEGQ-ZACQAIPSSA-N	423.944	5.357	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	463590839	FJZZIAFOVWVOOJ-DVOMOZLQSA-N	405.313	5.156	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl	473478755	GMDGXJIUOJALLK-SNVBAGLBSA-N	419.330	5.328	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	474438522	KBQXOQJISCLBMB-MRXNPFEDSA-N	412.946	5.272	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)n1	474446822	PSEJBBSJOUZYJC-CYBMUJFWSA-N	420.460	5.706	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1	475547453	LPEXAVZNKPZMLC-HXUWFJFHSA-N	405.567	6.517	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc2sc(N3CCCC3)nc2s1	475774835	SIHAKQNLCRBXCP-UHFFFAOYSA-N	414.581	5.216	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1	476651913	BAGNCDRKIRHKST-KBXCAEBGSA-N	414.349	5.513	30	20	HKED	
CC(C)Sc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	476684835	YIEPDCPEONPXHZ-UHFFFAOYSA-N	413.518	5.273	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)c1ccccc1	479739439	CPVKRDFHEGASFD-NRFANRHFSA-N	402.469	5.305	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	480801128	FTVVLWDBRBCVQX-KSSFIOAISA-N	403.404	5.545	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(CC)[C@H](CC)c2ccccc2)nnc1-c1ccco1	481562810	MRORGTLONYUVAE-LJQANCHMSA-N	424.570	5.206	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1	481997064	GDQJFUCNZPDHSC-DNVCBOLYSA-N	402.416	5.462	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(F)c(F)c1	483277267	CUXULOOJPYJMGP-LEWJYISDSA-N	414.500	5.270	30	20	HKED	
N#C[C@H](C(=O)c1sc(C2CC2)nc1-c1ccccc1)c1nc2ccccc2s1	483437675	IKYWBGKXMJQLJY-OAHLLOKOSA-N	401.516	5.787	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(COc2ccc(Br)cc2)o1	484469813	FLXBPFGMZFHIGE-UHFFFAOYSA-N	419.319	5.166	30	20	HKED	
CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	486812028	YGBXGSRJCAGURV-QFIPXVFZSA-N	401.466	5.159	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nc(-c3ccccc3)no2)cc1	489699496	BHBWIUVRKZXKJU-MRXNPFEDSA-N	412.449	5.582	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(N(C)C)c1	491722476	QLULBTCXKBSBQR-UHFFFAOYSA-N	400.482	5.047	30	20	HKED	
CSc1cccc([C@H](NC(=O)NCC(C)(C)CCC#N)c2cc(F)ccc2F)c1	498272083	MBFRMLQSUZWDFD-FQEVSTJZSA-N	417.525	5.405	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	500433053	MWQKUCATFVYJQZ-HSZRJFAPSA-N	401.535	5.087	30	20	HKED	
Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	500743744	APYOFRKAWSJJOI-OAQYLSRUSA-N	416.550	5.153	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	501760192	RYHWIKRYTAPALU-OAQYLSRUSA-N	407.876	5.798	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cccc(COC(C)C)c1	502623556	RMYDTKXPADVRGM-UHFFFAOYSA-N	415.493	6.228	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1	503266663	JTYJZXVQLVOPBT-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	505912010	IGWOLXGMPPSIRG-INIZCTEOSA-N	401.413	5.132	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc2nc(C(F)F)sc2c1	507227096	CSZAKOIMZNPBCM-GFCCVEGCSA-N	407.511	5.311	30	20	HKED	
COc1ccc(NC(=O)[C@H](Sc2ccc(C#N)cc2)c2ccccc2)cc1Cl	509668938	XXKQATYOZUNVPA-OAQYLSRUSA-N	408.910	5.692	30	20	HKED	
Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1C1CCCCC1	510203366	JZNZYCOMTXMBNH-UHFFFAOYSA-N	414.509	5.400	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511547412	TYAKHNCPRXQVSQ-LJQANCHMSA-N	405.395	5.089	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H](c2cccc3ccccc23)C(F)(F)F)c1	511707099	LRBYHBLFHJWKHO-IBGZPJMESA-N	400.425	5.489	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21	511894657	HXCFKXQPYQHDJT-RJSMDTJLSA-N	419.594	5.145	30	20	HKED	
C[C@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(C#N)cc1F	512662168	VYBKAPROBRSLQQ-HNNXBMFYSA-N	405.439	5.031	30	20	HKED	
Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	515190688	NBVUMCXPPBPVOS-XMMPIXPASA-N	412.493	5.731	30	20	HKED	
N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1-c1ccccc1CC2	515628185	XMNFXFCWPHQRHL-UHFFFAOYSA-N	409.854	5.199	30	20	HKED	
COCc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	515800567	XAXBMUAAOXOVCF-UHFFFAOYSA-N	421.884	5.472	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C(F)(F)F)cc1	518662497	GQOVVIBUCJKSNW-CABCVRRESA-N	406.473	6.089	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	520167619	IOYDABBXUOIIJW-UHFFFAOYSA-N	410.417	5.245	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)NCC(C)(C)CCC#N)c2cnn(C(C)C)c2n1	520244359	OUXZLEXWLQEEJD-UHFFFAOYSA-N	403.530	5.047	30	20	HKED	
N#Cc1cccc(CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)c1	520684070	UAPNWNSFOPLHBP-UHFFFAOYSA-N	416.477	5.666	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	521800104	GNVNZHDCRFGHPY-NSHDSACASA-N	401.340	5.188	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2	521800222	KPOUPCIKQBKELB-ZDUSSCGKSA-N	402.903	5.148	30	20	HKED	
C=CCN(C(=O)c1csc(C(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	522484441	MRCNUDFIGKPBHZ-UHFFFAOYSA-N	414.512	5.131	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c1C	523536843	QQLRNYIBUFZJBQ-PMACEKPBSA-N	424.426	5.122	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1	523598759	BQRDHYYSJBDLIN-INIZCTEOSA-N	407.539	5.244	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccc(C#N)cc1	523619686	OLORINIXBHKPTK-CQSZACIVSA-N	408.889	5.003	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	523708536	FCFVPUWWBJBECW-UHFFFAOYSA-N	413.477	5.047	30	20	HKED	
CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	524439665	BTVWPRASJFHHFE-UHFFFAOYSA-N	417.484	5.639	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCSc4ccccc43)c2)c1	525658932	XPTONPYYXBBOLG-QFIPXVFZSA-N	400.503	5.355	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ncsc3C(F)(F)F)cc2Cl)cc1	527448583	PEUBTLSZTFNOCR-UHFFFAOYSA-N	423.803	5.732	30	20	HKED	
C[C@@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1	530436270	HLVYHHYZQLKRMQ-ZHRRBRCNSA-N	406.327	5.350	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(C(C)(C)C)cs1	531514210	NLOXBURVGMFWHF-AWEZNQCLSA-N	419.641	5.564	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	532570361	FTTIEQQYXIIZCQ-YSIASYRMSA-N	407.583	5.063	30	20	HKED	
Cc1ccc(NC(=O)Cc2nc(CSc3ccc(C#N)cc3Cl)cs2)cc1	532856696	NOPJPEAINAKAEC-UHFFFAOYSA-N	413.955	5.450	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1cccnc1)C1CC1	535483370	CFLWJPLDGYJECH-DEOSSOPVSA-N	412.493	5.114	30	20	HKED	
COCc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	536163105	OARCCXABNSWSNF-UHFFFAOYSA-N	413.886	5.168	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)Cc2cccc(OCc3cccc(C#N)c3)c2)cs1	537619611	HOXCQJGCUSDOOQ-GOSISDBHSA-N	421.566	5.323	30	20	HKED	
C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1	539467061	UVQYIKCAVCKHAH-DOTOQJQBSA-N	402.926	5.024	30	20	HKED	
Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1-c1ccccc1	540377423	ZSLOVOXDZKADSD-KRWDZBQOSA-N	418.909	5.354	30	20	HKED	
Fc1cccc([C@H](NCc2coc(-c3c(F)cccc3F)n2)C(F)(F)F)c1F	541334924	NICWZDSVBWTJEB-INIZCTEOSA-N	404.285	5.291	30	20	HKED	
C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	542062244	MVICECSBSHHZPK-OAQYLSRUSA-N	423.560	5.315	30	20	HKED	
N#Cc1ccc2ncc(CNc3ccc(SCc4ccccc4Cl)cn3)n2c1	545559236	AERVOWFICNMPCT-UHFFFAOYSA-N	405.914	5.159	30	20	HKED	
C[C@@H](NC(=O)c1cscc1Br)c1ccc(-c2cccc(C#N)c2)cc1	552415373	FSMBIOYSUUMYHZ-CYBMUJFWSA-N	411.324	5.540	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1csc(C)n1	558454928	OMVZKTUADLZZQC-QGZVFWFLSA-N	403.914	5.030	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1ccccc1Cl	558456168	QUTOZPFPGSLDIR-LJQANCHMSA-N	424.932	5.143	30	20	HKED	
Cc1cc(C)c(-c2csc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)n2)c(C)c1	559659123	XHISVRLGCGTIDW-UHFFFAOYSA-N	416.428	5.273	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1	562086873	JVVFIVMLEBXMPZ-GOSISDBHSA-N	406.313	5.040	30	20	HKED	
Cc1c(NCc2cn(CCC#N)nc2-c2ccccc2)cnn1-c1ccc(Cl)cc1	565505761	WBXVCVHXFFJLIN-UHFFFAOYSA-N	416.916	5.223	30	20	HKED	
C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1F	576363240	CEYGOZYVTPVMKS-PBRBFHIESA-N	411.952	5.615	30	20	HKED	
CC(C)OCc1cc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1O	579778692	YGFUQTYMKDRTPC-UHFFFAOYSA-N	417.465	5.625	30	20	HKED	
N#Cc1ccc2ncc(CN[C@@H](c3ccc(Cl)cc3)c3ccccc3Cl)n2c1	585766549	PMMKLCCWEYTSGK-QFIPXVFZSA-N	407.304	5.392	30	20	HKED	
Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(C)n1CCC1=CCCCC1	589971241	BUCFNHDAQHDAFB-UHFFFAOYSA-N	413.521	5.065	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C(C)C)cc1	603649904	HXTPQFMOXAGOCZ-NRFANRHFSA-N	420.538	5.133	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(COc4ccc5ccccc5c4)o3)[nH]c12	605362529	IMIRQOOZNVKWDH-NRFANRHFSA-N	421.456	5.687	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nc(C)cs1	609208209	ITQHMZKCOJIUOW-GOSISDBHSA-N	422.510	5.397	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1	609371749	VXTGKBWIJQQESZ-HNNXBMFYSA-N	408.552	5.059	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCOc1cccc(Cl)c1	609399230	ITHIUSKKBNJAKB-MRXNPFEDSA-N	417.962	5.525	30	20	HKED	
N#CCc1cccc(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)c1	609428244	JSGZYZDNUXWREV-UHFFFAOYSA-N	424.504	5.528	30	20	HKED	
N#Cc1cc(F)ccc1CN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	609540916	NZPQPXSEARLFSO-UHFFFAOYSA-N	418.447	5.039	30	20	HKED	
CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610319645	DOVYDDNYGRYJGC-NRFANRHFSA-N	400.482	5.231	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(C#N)c1	610322317	HIAWRWGDEOOJFY-OAHLLOKOSA-N	416.868	5.758	30	20	HKED	
Cc1c([C@@H](C)NCc2ccc(C#N)cc2F)cnn1-c1ccc(Cl)cc1Cl	610812756	ONRWJFQOIMUFGM-GFCCVEGCSA-N	403.288	5.349	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cc1Cl	611048176	UEYTZSLECPQFNY-FYYLOGMGSA-N	419.887	6.113	30	20	HKED	
N#Cc1cccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1	612548687	AKLUFDAEXCRSSF-OAHLLOKOSA-N	412.209	5.136	30	20	HKED	
Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2ccc(F)cc12	618668556	SSSXLZVLVDNMAA-AOOOYVTPSA-N	413.358	5.552	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(-c2cccc(C#N)c2)cc1	618826720	WPGAUWGRFGNCEJ-CRICUBBOSA-N	406.489	5.145	30	20	HKED	
O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	620691758	NZGOJZPXGYRALA-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1	641900324	GOGSEFXWWDXCEW-UHFFFAOYSA-N	417.559	5.695	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)s1	671656247	LVQXQZSOWFVDCQ-UHFFFAOYSA-N	403.275	5.222	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)cc1F	672777173	KKXDBBBGDRDHIB-DTORHVGOSA-N	406.729	5.382	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	679361164	UEUDWXGYHNCGSD-UHFFFAOYSA-N	420.456	5.222	30	20	HKED	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	682199036	ZKWKRAIHVBPQFZ-IUCAKERBSA-N	411.239	5.047	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c[nH]cc1-c1ccccc1F	683820739	WWRJJJRMXTUNJK-GDNZZTSVSA-N	422.344	5.460	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(OCC#N)cc3)o2)cc1	727679575	DSKNFLSQXGROKY-UHFFFAOYSA-N	423.472	5.149	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1OC	728417549	GFWGYTQOJXBQFO-OSVJCPFSSA-N	401.462	5.001	30	20	HKED	
Cc1ccc(N(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)Cc2ccco2)cc1C	728571392	CZKDEBRAIXWTJE-JOCHJYFZSA-N	422.488	5.140	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(CCC#N)CCC(C)C)c1=S	728901703	SAWYARWDRUHCHV-UHFFFAOYSA-N	403.983	5.140	30	20	HKED	
COc1ccc(/C=C/C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	729375470	HBPOIWRDQQFPAM-UKTHLTGXSA-N	400.434	5.020	30	20	HKED	
O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(C(F)(F)F)cc1	730949423	VXLNKDLPAXOZTG-XCVCLJGOSA-N	416.351	5.472	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(C(F)(F)F)c1	731646012	VZPIIBURILQZGG-INIZCTEOSA-N	408.470	5.179	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C	732596366	RDCFFKCKDREQFX-QGZVFWFLSA-N	404.510	5.005	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl)c1ccncc1	734668563	DSPIHYMIXHLPDN-GOTSBHOMSA-N	423.919	5.889	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)/C=C\c1ccc2ccc(Cl)cc2n1	735341066	FWOQNSCRYWOFEZ-VURMDHGXSA-N	413.260	5.201	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3ccc(OCc4ccccc4)cc3)[nH]c12	735792062	GWVVJBMXIHUNTM-RJGXRXQPSA-N	421.500	5.430	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccco3)Cc3ccco3)c2)s1	740065155	YWYACPRXHVPKOS-UHFFFAOYSA-N	417.490	5.385	30	20	HKED	
O=C(/C=C/c1cnc2ccc(Br)cn12)c1cc(Cl)sc1Cl	740765423	ZDZAWIBOLUFAHY-NSCUHMNNSA-N	402.100	5.361	30	20	HKED	
C#CCOc1ccc(F)cc1NCc1cccc(NC(=O)c2ccccc2Cl)c1	742377681	XGGBSBOUIRLDJC-UHFFFAOYSA-N	408.860	5.356	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	744061523	LSYVXPIQNLIRKC-ZXFPDNNPSA-N	412.555	5.369	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)c1ccccc1	746658680	GFJCOBACHFRFQJ-CPJSRVTESA-N	413.521	5.584	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1csc(-c2ccccc2)n1)C(=O)c1ccccc1	747127815	MDHHWHAYXQJBDH-STZFKDTASA-N	411.486	5.110	30	20	HKED	
N#CCOc1ccc(CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1	754060489	PXGLCFKRKZDZKY-UHFFFAOYSA-N	404.322	5.309	30	20	HKED	
C/C(=C/c1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	756503361	GFTYJNQOMMSPJD-KUGGDMIFSA-N	423.925	5.209	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)CCCc3cc(Cl)sc3Cl)o2)c1	756509854	BWPKJLBYSCQKNI-UHFFFAOYSA-N	422.293	5.043	30	20	HKED	
C/C(=C\c1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	759214553	YLUJIUILWTYQRG-USYSOWRXSA-N	407.684	5.398	30	20	HKED	
C[C@H](OC1CCCCCC1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	761049396	QKSMTNFGEKSICP-WFASDCNBSA-N	410.461	5.619	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c(F)cccc1F	764567853	ZOEDSUPWNAUWOO-SMDDNHRTSA-N	402.853	5.722	30	20	HKED	
CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cn(CCCC#N)c3ccccc23)n1	766893331	UVWZVFCFQIFWGO-LJQANCHMSA-N	421.501	5.067	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)N(C[C@H](C)C#N)C4CC4)cc3C2)cc1	772586370	ZOMGDTDIJJFFTF-GOSISDBHSA-N	402.542	5.486	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(C)cc(Cl)cc32)ccc1OC	772981016	XHUQBXAPHSQWOH-AZUAARDMSA-N	414.933	5.342	30	20	HKED	
CC(=NNc1ccc(Br)cc1Cl)c1cc2c(s1)SCC(=O)N2	778544087	HUDPXDBRJRXIPA-UHFFFAOYSA-N	416.753	5.044	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCSCc1ccnc(Cl)c1	779610528	ABSCKCXHYVQPIL-AWEZNQCLSA-N	420.991	5.042	30	20	HKED	
CCCc1c(NC(=S)Nc2c(CC)cccc2CC)cnn1-c1cccc(C#N)c1	783951567	DGLDYPWIUFJBPR-UHFFFAOYSA-N	417.582	5.630	30	20	HKED	
Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1C(C)C	787187017	KGIOYODVBQUMLB-VAWYXSNFSA-N	407.901	5.574	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)cc1	791202424	UKEDBUYJRCSIRD-FPOVZHCZSA-N	415.320	5.315	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nccc2ccccc12	792105688	WUHNXAPZSHIWQQ-LJQANCHMSA-N	418.294	5.206	30	20	HKED	
C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1	793324779	LZCKXBOSJWSTSP-SFHVURJKSA-N	411.505	5.231	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	795980567	HPKMMTRREXUZTE-AWEZNQCLSA-N	416.264	5.174	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)s1	797570695	JAAIPMNNFYXSPK-NIFLVVHWSA-N	410.539	6.058	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(-c3cccnc3)ccc2C)cc1C#N	797654342	DRUBQSGIZCSKPI-UHFFFAOYSA-N	415.453	5.141	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(C)c(C)o2)cs1	799897692	SDUKCXGUYLUINH-TWGQIWQCSA-N	400.887	5.587	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)OC(=O)CC1(C#N)CC1	815957984	SHBMFWIZSIZWIG-GFCCVEGCSA-N	405.317	5.179	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1OC	916137771	VMDKGDDXXQMAMC-SDQBBNPISA-N	421.880	5.506	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2s1	916846137	IHWRJPUNVJQZTG-QXLXQBSBSA-N	404.491	6.054	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	916914223	XGSVHLPJZMDMOT-OAHLLOKOSA-N	417.317	5.732	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	916916242	QLZVFABCLUGVIK-INIZCTEOSA-N	417.515	5.294	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2ccc(F)cc12	916927814	OUMWIISZBAKWDR-CYBMUJFWSA-N	405.212	5.148	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996075	JVSKOKWFMAPMFX-YVZNUBBCSA-N	405.331	6.068	30	20	HKED	
C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917043492	JEKLUXQCHUXFGN-HZMBPMFUSA-N	407.347	5.960	30	20	HKED	
Cc1cc(Br)ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	917119566	MUZFWNVILKOCAU-NRFANRHFSA-N	405.295	5.665	30	20	HKED	
Cc1cc(CN(C)C(=O)c2ccccc2SCC#N)cc(C)c1OCC(F)(F)F	918676195	LVWACDCCHUKSNP-UHFFFAOYSA-N	422.472	5.132	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cccc(C(C)C)c3)n2)cc1	920139394	SUTZICIRXWKSDI-HXUWFJFHSA-N	406.507	5.197	30	20	HKED	
COc1ccc(-c2nc(S[C@H](C)c3c(C)cc(C)cc3C)nc(O)c2C#N)cc1	920753640	QJPYHSUSIOQNHB-MRXNPFEDSA-N	405.523	5.508	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F	921155377	MLZFWEQINZGPFH-UHFFFAOYSA-N	412.367	5.652	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(C)cccc3C)cc2)CCC1	1790712353	WXBPERBXCWSYPD-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1814829673	IAUHHGGJUQORPE-BAMNPNLJSA-N	424.589	5.141	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1cccc(C)c1	10167411	NMFSCMIBVYOSDH-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccc3ccccc3n2)n(C2CCCC2)c1C	12256080	FYDNORBEGQALIM-UHFFFAOYSA-N	404.539	5.371	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1cccc(C)c1	14871732	MOISVCIALBKJEV-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccccc2)cc1	15248417	WMXDNQPOYGUDDZ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCCc1nnc(/N=C(\O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)s1	26838663	UTXQJRCFQQUNDE-UHFFFAOYSA-N	412.462	5.578	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCCOc1ccc(Cl)cc1	28173964	MFDYSHZCEBXXEG-UHFFFAOYSA-N	419.909	5.007	30	20	HKED	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2ccc(C#N)cc2)cs1	31676165	AFLGGACVUKUEEI-UHFFFAOYSA-N	417.412	5.297	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2ccc(F)cc2)n1	48053748	YDBIBDBMSYQZOA-UHFFFAOYSA-N	406.486	5.141	30	20	HKED	
N#CCCCOc1cccc(NC(=O)COC(c2ccccc2)c2ccccc2)c1	55569292	IKEFVTWXCWNRDZ-UHFFFAOYSA-N	400.478	5.114	30	20	HKED	
C=CCN(C(=O)c1cc2cc(C)ccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	58042449	LPEWAEDZUWBQRB-UHFFFAOYSA-N	419.462	5.606	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1	63960662	KWLZNACDZZKRPT-JOCHJYFZSA-N	417.896	5.020	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1Cl	107879380	TVNYPVYOQUDZHZ-IBGZPJMESA-N	414.852	5.298	30	20	HKED	
C=CCN(C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1nc(-c2ccccc2)cs1	115549375	BTVWFVXCBJYCEO-RDNZODCXSA-N	408.567	5.051	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	195652808	VQJRFGSZWZMWJW-QRWLVFNGSA-N	424.422	5.700	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccccc2OCc2ccccn2)ccc1OC(F)F	210115301	ZXUUVCUWRQCZJB-LUAWRHEFSA-N	411.404	5.167	30	20	HKED	
COc1cc(C(=O)/C=C\c2cc(Cl)c(OC)c(OC)c2)ccc1SC(F)F	214926168	KCXDIFDRWOPEMV-XQRVVYSFSA-N	414.857	5.577	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2ccccc2)cc1OC	237432011	LRGLQLNTOQGALP-YADARESESA-N	416.521	5.068	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cc4c(cc3Cl)CCC4=O)c2)cc1	429491085	OADKOFNODSWLBI-UHFFFAOYSA-N	402.837	5.385	30	20	HKED	
COc1cc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)cc1C	431943065	RSSLZEOOSJHVGC-UHFFFAOYSA-N	414.465	5.080	30	20	HKED	
C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N([C@@H](CCCC#N)c2ccccc2)C1=O	432025071	HMERLTZVUCFDSX-GHTZIAJQSA-N	416.308	5.196	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437503190	WSDQCFVJMUAUMK-MRXNPFEDSA-N	404.441	5.631	30	20	HKED	
CCOc1ccc(Br)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439385469	LJZQKPPOVPYMLS-INIZCTEOSA-N	402.292	5.014	30	20	HKED	
N#Cc1cc(Cl)ccc1CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444741068	HDFYABKEPZFOFR-MRXNPFEDSA-N	406.757	6.014	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	446487478	BFXRWYRRQMBBJK-JQWIXIFHSA-N	422.316	5.168	30	20	HKED	
N#C[C@H]1N(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCC[C@@]12CCCCO2	448273797	TXKGDFCBBQPTOU-VWNXMTODSA-N	423.944	5.020	30	20	HKED	
Cc1cccc(O[C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	461431653	RTSYBECBNPOIMM-IBGZPJMESA-N	416.546	5.356	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464420749	ZESYYBVBJMMFPW-CQSZACIVSA-N	409.389	5.001	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3NC3CC3)o2)cc1	467688202	XABDFYFSSUNGCA-UHFFFAOYSA-N	407.857	5.210	30	20	HKED	
Cc1ccccc1-c1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n(C)n1	470206306	QJPGCXCZAYBFCJ-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	474893772	OQTMFTMZGHQTBK-WMZHIEFXSA-N	411.505	5.204	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1	475544250	AAQWVRGCIUXXMA-OAHLLOKOSA-N	408.477	5.610	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1	475544514	GNCLOZYYLAMRSQ-QGZVFWFLSA-N	404.514	5.514	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccnc1OCC(F)(F)F	475546387	FHXZDSCURCIDPB-UHFFFAOYSA-N	407.436	5.196	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCCCCC2)nc1	475581208	FGHJNWSWLCWGOB-UHFFFAOYSA-N	406.574	5.636	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(Cl)ccc(F)c1C	475582718	NPPWSMABDWTWEO-UHFFFAOYSA-N	408.860	5.799	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2	476092223	WEGKKWXXPWMPRE-ODOSVJCGSA-N	419.565	6.003	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C[C@H](CC#N)c2ccccc2)cc1	476112713	RLGZDXNULFTYBG-YKSBVNFPSA-N	412.533	5.969	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C[C@H](CC#N)c1ccccc1	476335517	STBCSHOELYACQV-NQIIRXRSSA-N	403.551	5.726	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1C#N	477448117	VVEDXTMNNOAGDD-UHFFFAOYSA-N	413.289	5.041	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1)c1ccc(F)c(F)c1	477735224	BGTCIFFZXABYBK-GOTSBHOMSA-N	407.464	5.374	30	20	HKED	
C=C[C@H](CC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1)c1ccccc1	478747273	FTPVPPONDXKFAM-GOSISDBHSA-N	412.489	5.480	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CC=C(c4ccc(F)cc4)CC3)cc2)nc1	479434793	BDXMWAQUIMWQNJ-QFIPXVFZSA-N	413.452	5.251	30	20	HKED	
COc1ccccc1SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	479644504	XQYUPSNACRYZIQ-UHFFFAOYSA-N	418.518	5.185	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1Cl	482813338	PGFGSRIJLNSEKB-MRXNPFEDSA-N	400.787	5.665	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	483333311	DBKRUNUNAJUDKU-UGSOOPFHSA-N	403.404	5.201	30	20	HKED	
O=C(NC12CCC(C(F)(F)F)(CC1)CC2)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	488427470	UTLHFFHZKXIHGV-UHFFFAOYSA-N	423.372	5.648	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N	488777109	FOWKDDAKQJDOAF-CHWSQXEVSA-N	407.461	5.605	30	20	HKED	
CC(C)n1ncc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1-c1ccccc1	489733994	HJRCHWWFYHHQDZ-IBGZPJMESA-N	412.415	5.144	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc(-c2ccc(OCC)cc2)n1	489869955	GWOGDVSJOMZIPO-UHFFFAOYSA-N	408.523	5.046	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)C2CC2)cc1	490785364	SHPVMTPADCVDJK-FQEVSTJZSA-N	412.415	5.017	30	20	HKED	
COc1ccc([C@H](NC(=O)c2ccc(CC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1	492022980	QNEBNZZEIHZGOL-JOCHJYFZSA-N	424.422	5.299	30	20	HKED	
CCN(Cc1csc(-c2ccc(C(=O)OC)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	496035625	XWOZTPGFZNOJTN-INIZCTEOSA-N	405.523	5.051	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CSCc2ccc(Br)cc2F)cc1	496361698	MWFCEUGVYPFVJW-UHFFFAOYSA-N	421.335	5.261	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	497880622	KJCHUJQNKVMOMQ-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
COc1cccc(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	498210912	QRGGVESQOMBOMD-OAQYLSRUSA-N	422.937	5.735	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1F	501111111	ZYWFEBNLIMRUAV-GFCCVEGCSA-N	413.503	5.235	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)c2)cc1	501477127	LTVNBFOAPOCAPG-LEWJYISDSA-N	416.443	5.639	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(Cc2cccc(F)c2)n1	503142586	WSVYKEAVYUFTAK-AWEZNQCLSA-N	411.527	5.520	30	20	HKED	
C=CCCc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1	505017501	WXICKSYYZDMWIN-UHFFFAOYSA-N	423.520	5.375	30	20	HKED	
COc1ccc([C@H]2C[C@H](NC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1F	505299856	ZPHMHZLPEVNREM-DJIMGWMZSA-N	413.518	5.154	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1	505618285	IBHHXOAZYLXEAH-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
CCN(Cc1ccc(OC)c(OCc2cccnc2)c1)[C@@H](C)c1ccc(C#N)cc1	508601765	AMVVVZVKAIFPHQ-IBGZPJMESA-N	401.510	5.124	30	20	HKED	
CCN(Cc1cc(OC)ccc1OCc1ccccn1)[C@@H](C)c1ccc(C#N)cc1	508604075	LQDVAHJKHXOTMT-IBGZPJMESA-N	401.510	5.124	30	20	HKED	
C=CCn1c(C(C)C)nnc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	508863001	IHQFFXQAMDVYRF-UHFFFAOYSA-N	409.361	5.080	30	20	HKED	
Cc1ccc(OC2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)cc1C	509982355	MKNIYULTXCDFLG-UHFFFAOYSA-N	414.553	5.124	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2ccccc2)CC1	510886278	DAZIDPWANJORDU-UHFFFAOYSA-N	411.505	6.071	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2CCc2ccccc2)cc1	510984042	NVBXWULEGWBNMX-DEOSSOPVSA-N	417.553	5.130	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cccc3ccccc23)cc1	511027043	HEECKNCNYRLLRS-UHFFFAOYSA-N	413.521	5.318	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1	511262854	UYAXXDTVBUAJDD-NRFANRHFSA-N	410.304	5.971	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511440375	RGPMIPLIVMUMFE-UHFFFAOYSA-N	421.447	5.274	30	20	HKED	
N#Cc1cc2c(nc1SCc1nnc(-c3ccc(Cl)cc3Cl)o1)CCCC2	513325256	OODNYFYGPKYYDA-UHFFFAOYSA-N	417.321	5.481	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)n(C(C)(C)C)n3)n2)cc1	517801089	XGZFQVFNUIONEG-QGZVFWFLSA-N	420.538	5.138	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(Cl)s2)cc1	518267439	WTLDFEXRLZKGEO-UHFFFAOYSA-N	412.967	5.538	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1	521326528	WKWCRDVUDKQSSE-LJQANCHMSA-N	413.521	6.222	30	20	HKED	
CCOc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	521733887	KBLKKMWMSIQEIJ-UHFFFAOYSA-N	408.445	5.291	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1OCC	521826565	IWHLPCFZLCMOBT-WMLDXEAASA-N	420.347	5.419	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C	522466044	XHXYLMVQRYPBPZ-VWLOTQADSA-N	424.548	5.103	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	524378505	WHQCCZHSTPRPCO-HNNXBMFYSA-N	415.971	5.917	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H]1CCc2ccccc21	524438249	XQNIJLKYIFDAGF-RUZDIDTESA-N	411.505	5.597	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1	524822967	VOFDEAFUIFWRRT-CABCVRRESA-N	410.798	5.045	30	20	HKED	
C=C(C)Cn1c(SCCCOc2ccc(Cl)cc2)nnc1-c1ccncc1	531762266	QPSQPKZODGRVPH-UHFFFAOYSA-N	400.935	5.131	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2c(F)cccc2F)c1)c1nc2ccccc2n1C(F)F	536070659	KBXXYIVDZYVOBB-HNNXBMFYSA-N	423.369	5.867	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccn2)s1)c1nc(-c2c(F)cccc2F)cs1	536172718	BOIRHXGMGFOSAE-NSHDSACASA-N	424.457	5.097	30	20	HKED	
C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1CC(=O)Nc1ccccc1S[C@H](C)CC#N	538787819	SSYGBONKRKLCSU-GVDBMIGSSA-N	411.546	5.166	30	20	HKED	
CN(C(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1)c1ccccc1	539172277	GDLSHWFTZITVLE-UHFFFAOYSA-N	417.534	5.446	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ncc(-c2ccccc2)[nH]1	541094417	LAOPJUXQLACFBB-WMZOPIPTSA-N	419.554	5.601	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2)cc1	543974689	PBLUJEFAUQDVND-FQEVSTJZSA-N	404.491	5.751	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1	546003637	VOWWPQQGQWUNNF-UHFFFAOYSA-N	401.919	5.009	30	20	HKED	
N#Cc1ccc2ncc(CN[C@@H](c3ccc(Cl)c(C(F)(F)F)c3)C3CC3)n2c1	551805066	NMTLFIGAIMDWJF-LJQANCHMSA-N	404.823	5.119	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CCCCC2)no1	554214067	MTGNOSLNHGOPCK-UHFFFAOYSA-N	417.469	5.023	30	20	HKED	
C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[C@H]1OCCc2sccc21	555835350	WVGLZWNUQUUCLD-QMHKHESXSA-N	418.518	5.087	30	20	HKED	
Cc1ccc(-c2nc3c(s2)[C@@H](N[C@@H](CCCC#N)c2ccccc2)CCC3)cc1	556203322	KCGHZZOHCGVZKS-VXKWHMMOSA-N	401.579	6.521	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c(C)c2c1	565851969	KFGUUBNIHYZNAP-QFIPXVFZSA-N	402.494	5.428	30	20	HKED	
N#C[C@H](C(=O)c1cncnc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	568336072	LRMSYFSUJOVTOG-CQSZACIVSA-N	418.428	5.035	30	20	HKED	
O=C(Nc1cccnc1C(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	573283848	CDXXHVLPWCGDST-MRXNPFEDSA-N	421.316	5.222	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c(C)nn(C(C)C)c1C	573698137	KZCSDQYQYFXZBH-UHFFFAOYSA-N	416.525	5.021	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)C(F)(F)F	574603555	PEWKPOBNGFRXQA-CQSZACIVSA-N	407.392	5.343	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)c(C(F)(F)F)c1	579294626	UFJAOUFKMWSCCP-UHFFFAOYSA-N	401.363	5.193	30	20	HKED	
C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1c1cccc(F)c1	583231720	NCGMRHTYDJFLMS-RCOXNQKVSA-N	412.553	5.109	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1	591511768	MFJYNFYKDPVRHG-UHFFFAOYSA-N	418.497	5.103	30	20	HKED	
C[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccccc1	602099165	QQTLHMUTVRJOTD-VGOFRKELSA-N	416.908	5.843	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c(Cl)cccc1Cl	603600880	JKDROYZZSSVVNE-UHFFFAOYSA-N	412.276	5.542	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)o1	603945228	SGQWOEGDKXYADK-UHFFFAOYSA-N	408.457	5.573	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	604387904	IKFFNPNGYULHJM-UUOWRZLLSA-N	416.496	5.575	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1cccs1	609079181	OACCMKPYHNWNSD-KRWDZBQOSA-N	405.523	5.732	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609221991	MRIGJBPYLMQAOL-MRXNPFEDSA-N	403.507	5.512	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC(C)(c1ccccc1)c1ccccc1	609399217	GPUCNSDPZKKZCL-LJQANCHMSA-N	415.562	6.024	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccccc2OC(F)(F)F)c1	609432683	HYGOPJRZFFTEIZ-UHFFFAOYSA-N	412.411	5.326	30	20	HKED	
CCOc1ccc(CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	609496495	DJIIXVUSZYXVKP-UHFFFAOYSA-N	400.478	5.216	30	20	HKED	
CSCc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)oc2ccccc12	609588802	USVAICKEEZJSFI-INIZCTEOSA-N	415.312	5.053	30	20	HKED	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610015667	NLLGHEBGUSOFPQ-OAHLLOKOSA-N	402.429	5.036	30	20	HKED	
N#Cc1ccc(-c2nnc(COc3ccc4cc(Br)ccc4c3)o2)cc1	610218985	OVXRZZJMTNTCOI-UHFFFAOYSA-N	406.239	5.103	30	20	HKED	
C[C@@H](NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1	610664081	NTOIXENGCPNHKG-HUUCEWRRSA-N	401.432	5.573	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	614729906	SZNDFFZMSSOZJQ-UHFFFAOYSA-N	404.491	5.287	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N1CC[C@](F)(C#N)C1	615537536	ZPDFDYWEUFGURF-QHCPKHFHSA-N	423.467	5.201	30	20	HKED	
O=C(c1cc(C(F)(F)F)ccc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675442253	BXOFIMBKTWXWDJ-RKDXNWHRSA-N	411.239	5.047	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc(CC)cc2)c1	726573668	PDTRWCYBIFQBJH-UHFFFAOYSA-O	419.957	5.495	30	20	HKED	
Cc1ccc(F)c(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)c1	726802084	SDGJKTFAGHAIIG-UYRXBGFRSA-N	412.511	5.223	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Sc3ccccc3)C(C)C)n2)cc1	727232838	ULUNRZFNXHFUHO-DENIHFKCSA-N	422.575	5.812	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1	727935001	MVIINKFNLRRPQW-UHFFFAOYSA-N	414.490	5.187	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c1C#N	729405133	KYIMUFTUCDGDMF-UHFFFAOYSA-N	424.526	5.152	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	730421251	JMXYABXSNJCJMP-HNNXBMFYSA-N	411.458	5.272	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2c3ccccc3n(C)c2s1	730993609	CFQRVRAZIVBZKE-CQSZACIVSA-N	405.548	5.897	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc2ccccc2c1O	733079700	ITQRCFRHEHRIPN-UHFFFAOYSA-N	423.398	5.252	30	20	HKED	
CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	733131938	UMXYQMBCBMUFRU-JOCHJYFZSA-N	411.505	5.579	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N(CC)[C@H](CC)c2ccccc2)ccc1OC	733656790	PJAGZFUHRHDRSL-NHCUHLMSSA-N	409.530	5.059	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1)c1ccncc1	734457178	HKKUKQRNEWPZEE-OAQYLSRUSA-N	422.912	5.370	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	739155726	TYBWSVSCDMZLCU-XLIONFOSSA-N	416.452	5.144	30	20	HKED	
O=C(Nc1cccc(C=NNc2cccc(C(F)(F)F)n2)c1)c1ccccc1Cl	739421198	GWUVGAFASOTHJD-UHFFFAOYSA-N	418.806	5.452	30	20	HKED	
COc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC	741111446	NVZSHZHENGNYLU-QGZVFWFLSA-N	424.547	5.186	30	20	HKED	
COc1c(Cl)cc(Cl)cc1/C=C1/SC(=S)N(c2ccccc2C#N)C1=O	742834365	QZXVNSGBIXKZJT-VIZOYTHASA-N	421.330	5.279	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1F	742961468	KSLKNAXNPSFEFD-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	744026379	XMFCCLBZNPFSFU-QJWNTBNXSA-N	406.791	5.110	30	20	HKED	
CCOc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	745723673	FAQKECHOSZIJMW-UHFFFAOYSA-N	419.525	5.808	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CCOc3ccccc3)n2)cc1	745949491	NYODZEHHVYAEGZ-OXQOHEQNSA-N	406.507	5.100	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2)n1	747197907	NRKLEHICGVPVOB-INIZCTEOSA-N	413.593	5.814	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1nc(-c2cccs2)oc1C	748100522	RDPJSBXGSPWLPF-UHFFFAOYSA-N	406.511	5.124	30	20	HKED	
Cc1ccc(-c2nc(CON=Cc3c(C)nn(Cc4ccccc4)c3C)co2)cc1	748100664	XODQJWFNYJYURW-UHFFFAOYSA-N	400.482	5.062	30	20	HKED	
CN(C(=O)c1ccccc1OCC#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	748808301	PVPVSINNXYRXSN-JOCHJYFZSA-N	408.860	5.243	30	20	HKED	
COc1ccc(-c2nc(C(=O)N3CCCSC3=Nc3ccccc3)cs2)cc1	750565043	MKZUUOIZEFOIKX-UHFFFAOYSA-N	409.536	5.086	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1ccc(-c2ccncc2)cc1F)C(=O)c1ccccc1	751521659	GWGWIKIDFFJXLU-HZHRSRAPSA-N	423.447	5.188	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(F)cc2F)CCCC1)c1nc2cc(F)ccc2s1	760988381	XBZTWSGOVQKLFE-CQSZACIVSA-N	400.425	5.402	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccc(F)cc1OCC#N)C1CC1	761665567	URPVTTJFKCVSOA-ZDUSSCGKSA-N	421.394	5.504	30	20	HKED	
N#CCOc1cccc(Cc2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)c1	761730023	WCIXXIKVBDPGLV-UHFFFAOYSA-N	418.840	5.070	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1OC	762415488	GXTYOHMEOGCJGG-XYELWLDHSA-N	418.493	5.168	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1C1CC1	764751056	ZNURQFAGURRXJG-QMMMGPOBSA-N	422.316	5.059	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(CC)Cc2ccc(Cl)s2)c1=S	764861992	YXXWFQGMKRCMLV-UHFFFAOYSA-N	420.007	5.247	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccccc2)[C@H](C)CC)c1=S	764890236	SLDIDVWVRHBOJA-LJQANCHMSA-N	407.587	5.310	30	20	HKED	
Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cscc1Cl	771877683	WBPSECJDWWJTCC-UHFFFAOYSA-N	419.746	5.050	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1	780637454	YPHOQUCFBIRMOU-LBPRGKRZSA-N	416.268	5.114	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3ccc([N+](=O)[O-])cc3Cl)c(Cl)nc21	782188048	HKKRAOCWKRQUJV-UTCJRWHESA-N	405.241	5.123	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@H](C)CC(=O)Nc2ccccc2C(C)C)cc1C#N	783589546	MEFAXYVYNVNLAI-MRXNPFEDSA-N	408.502	5.079	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)c1	786188146	ZBOCZUCFMGLXHT-IBGZPJMESA-N	418.459	5.271	30	20	HKED	
C#CCC1(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)CCCCC1	788212212	FWEAJPBEGXZTMS-UHFFFAOYSA-N	424.566	5.462	30	20	HKED	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	800843714	KKMFXMOZHQPJIA-HSZRJFAPSA-N	410.452	5.228	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3sccc3-c3ccc(F)cc3)CC2)c(F)c1	804627798	QRADAEHPLMBOCJ-UHFFFAOYSA-N	424.472	5.249	30	20	HKED	
FC(F)(F)COc1ccc(N[C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	806158248	WHCXWUJQEDCHJC-BXKDBHETSA-N	411.264	5.168	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cscc1C(F)(F)F	811631620	GJMBJTDSKKYYCE-UHFFFAOYSA-N	419.453	5.396	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3cccc(Cl)c23)cc1	815908137	UITHFJIOJMPJMC-GOSISDBHSA-N	407.901	5.054	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	916907008	GMDHTHYDMQFUTA-NJYVYQBISA-N	414.436	5.069	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976495	PSVDNQCXBCTZKV-KBXCAEBGSA-N	412.967	5.962	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC(Oc3ccc(C(C)C)cc3)CC2)c1=S	917468732	VNRUUMZPDCBJAZ-UHFFFAOYSA-N	412.603	5.102	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C	920101904	MWJLDKZOQRWZFA-FQEVSTJZSA-N	406.441	5.890	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C\C(=O)c1c(C)nn(C)c1C	920832471	LMZFHMAXAKXDTJ-HJWRWDBZSA-N	422.838	5.099	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3cccs3)CCC2)cc1	1791730286	YAOLTMJRWDRLJI-SFHVURJKSA-N	408.567	5.179	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592053	PYOAHOKHCSQVRQ-JOCHJYFZSA-N	420.557	5.033	30	20	HKED	
C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4c5cnn(-c6ccccc6)c5CC[C@]4(C)[C@H]3CC[C@@]21C	1857523732	QFPLEWIZXMYBLC-UELGWYSCSA-N	412.577	5.419	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1	20050366	RXJMRDRYKDYYDE-UHFFFAOYSA-N	422.579	5.154	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1-c1ccccc1OC	22971645	BKKIJOAVTGYVOE-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
CC(C)c1ccc([C@H](NC[C@@H](O)COc2ccc(CC#N)cc2)c2cccs2)cc1	23678334	YMERYWRJBWGRAO-RDGATRHJSA-N	420.578	5.056	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)c(C)c1Cl	41555479	HAYNABQENQPAMQ-MRXNPFEDSA-N	418.806	5.046	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cccc(Cl)c1Cl	78718942	MVOMJDMKPQYYHP-FMKPAKJESA-N	424.125	5.240	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1	429968838	UELNPSNUSIRRKX-UHFFFAOYSA-N	417.462	5.279	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccc(CN2CCCCCC2)cc1)c1ccccc1	431879320	DKKKKLRXLNZFAF-RUZDIDTESA-N	418.585	5.297	30	20	HKED	
N#CCCCOc1cccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)c1	433518391	PVTLRBJLLJPETA-UHFFFAOYSA-N	406.916	5.038	30	20	HKED	
COc1ccc(CN[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OCCCC#N	435776757	AJMKRKHJVCZUKJ-KESTWPANSA-N	418.459	5.432	30	20	HKED	
N#Cc1ccc(SCC(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)cc1	437023799	UKZXMXMRQGLZCQ-UHFFFAOYSA-N	424.570	5.057	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	437750843	JYBPHRJENUHVPN-BJKOFHAPSA-N	424.504	5.243	30	20	HKED	
Cc1cnc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)s1	438220977	VLOIKLGTOCADDJ-FQEVSTJZSA-N	404.495	5.388	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc(F)c(Br)cc1Cl)c1ccccc1	439612285	HYJSCYVGTJSTIM-OAHLLOKOSA-N	410.674	5.408	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccc(C(F)(F)F)cc1	441523999	LRXAJHPGKBPHNY-INIZCTEOSA-N	409.477	5.546	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)Cc2noc(CSCc3ccc(C#N)cc3)n2)cc1	445263313	DAOTVVXDQLICPD-MRXNPFEDSA-N	420.538	5.069	30	20	HKED	
COc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1OCC(F)(F)F	445521222	WEFWIEPNBDHUPS-UHFFFAOYSA-N	411.273	5.047	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC=C(c2cccc3ccccc23)CC1	460550804	ICROUDIVLYQZIP-UHFFFAOYSA-N	421.548	5.287	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)Nc1ccccc1SC[C@@H](C)C#N	463208311	WYNMSLNPQKVQMO-JKSUJKDBSA-N	400.569	5.380	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3cc(C#N)ccc3F)o2)cc1	464040210	NSOALTOZFKSGJP-UHFFFAOYSA-N	411.436	5.258	30	20	HKED	
O=C(Nc1cc(F)c(Br)cc1F)c1c(F)cc(C(F)(F)F)cc1F	464202476	BABDTPDCIFJYLH-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)ccc1OC1CCCC1)c1cc(C(F)(F)F)ccn1	464410869	XKPLIRDJPFJMRC-MRXNPFEDSA-N	408.807	5.565	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1F	464738896	PIYUQJLAXWJGJV-CBGDNZLLSA-N	411.546	5.099	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1csc(COc2ccc(F)cc2)n1	464826320	ZRHISBPTMZLHTO-FGZHOGPDSA-N	407.514	5.133	30	20	HKED	
C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1	468616458	AXGSXBLIGNUVTG-HXUWFJFHSA-N	419.319	5.112	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1	469130104	ZCEHJBPTMJJEHI-LJQANCHMSA-N	418.566	5.058	30	20	HKED	
N#Cc1ccc(CN2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1	470553419	MJJOTTBLAXMXGL-INIZCTEOSA-N	420.378	5.231	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	471671526	OELQLRMYYOQMLV-ZDUSSCGKSA-N	417.296	5.899	30	20	HKED	
COc1ccc(F)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1OC	472799962	QVTOAXCGACAWMO-QGZVFWFLSA-N	424.859	5.404	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	476566033	OTQRDXYKFHEREK-UHFFFAOYSA-N	421.547	5.225	30	20	HKED	
CCN(Cc1ccc(Cl)cc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479185229	JDTLLHKDAHFRFO-UHFFFAOYSA-N	411.933	5.133	30	20	HKED	
Cc1ccc2c(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)csc2c1	481090243	JQNDNOZCOAKLFS-UHFFFAOYSA-N	403.507	5.045	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CC1CCC1)c1ccccc1	481212121	PFIATUUEVNNGPS-AVRDEDQJSA-N	407.583	5.540	30	20	HKED	
C=C(C)Cn1c(SCc2cc(F)ccc2Br)nnc1-c1ccncc1	481338144	LFZMISGRPALXQV-UHFFFAOYSA-N	419.323	5.110	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cc1	481628411	QILIVXLAOZGYNE-UHFFFAOYSA-N	407.489	5.023	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1	482917771	CNTYGPNKUIMQSA-GOSISDBHSA-N	415.493	5.460	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc(C3CC3)cs2)cc1	483643113	BLERKTDHZXVNPU-UHFFFAOYSA-N	405.548	5.114	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2Br)cc1	485207826	IIIDELODRGIGAT-UHFFFAOYSA-N	423.698	5.054	30	20	HKED	
C[C@@H](SCc1ccc(F)cc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	488640295	IKHFXHXOEAXEMY-LLVKDONJSA-N	411.483	5.662	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1	489038693	RRMJGVJKOKYLDD-UHFFFAOYSA-N	411.427	5.077	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccs1	489427624	DHZRRNPAGIHQAP-AWEZNQCLSA-N	409.540	5.404	30	20	HKED	
CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C#N)Cc1ccc(C)cc1	489438549	MFRHXLVZMFBAPD-IBGZPJMESA-N	412.946	5.066	30	20	HKED	
CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	498163650	AHFQCNBQPBKXCZ-NRFANRHFSA-N	401.466	5.188	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCC(=O)c3cccc(F)c3)c2)cc1	502351649	JVVAWTSPYBKXBE-UHFFFAOYSA-N	416.452	5.072	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC)c1ccccc1OC(F)F	502630825	OLENHQIWHFDZRH-IBGZPJMESA-N	401.457	5.233	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1C(F)F	502691950	XYISKCYGJIAYPP-NWDGAFQWSA-N	404.301	5.138	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCC(F)(F)C1	503070489	HCURRMSNFIKVOP-LJQANCHMSA-N	413.468	5.393	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1	505001102	OJHILLKFNBGZDW-SFHVURJKSA-N	424.520	5.010	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1	505017191	SBIQVIWRNNAQSW-UHFFFAOYSA-N	406.505	5.431	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1	505232668	LCXVLWWKLZQJMM-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#C[C@H](C(=O)Nc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	505431898	BMCKARBMPHYAJP-CYBMUJFWSA-N	410.911	5.319	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1csc(COc2ccc(OC)cc2)n1	508518137	MMLVFWMUUARXIE-UHFFFAOYSA-N	407.539	5.015	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1nc(-c2ccccc2)ccc1C#N	510218618	SSDXRVMDJLMOLF-HNNXBMFYSA-N	423.488	5.210	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1	510605126	JFGSQJDTVSPEDS-UHFFFAOYSA-N	401.432	5.703	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2	512040007	GMBONVBEPKMVAX-PYZOSGAUSA-N	421.610	5.321	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cc(Cl)ccc1F	512529782	VXDTYMFMYLSULL-CQSZACIVSA-N	409.848	5.582	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](n4ncc5ccccc54)C3)cc2)cc1	512913827	XFNYERSMSFFSFW-NRFANRHFSA-N	423.476	5.179	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)nc2ccccc21	513692448	NRCCITFZZXBBTA-GFCCVEGCSA-N	400.290	5.585	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H](C)c1ccc(C#N)cc1	515366547	JWYMTBHSJNKPKH-SFHVURJKSA-N	405.501	5.502	30	20	HKED	
CCCc1sc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1CC	516269939	GCPNGIRWRZSSQU-QGZVFWFLSA-N	405.548	5.748	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	516890895	VIYDUKAOUCOAPJ-SFHVURJKSA-N	415.276	5.174	30	20	HKED	
CC1(C)Oc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2O1	518780242	MFBBIJQYXAEANE-UHFFFAOYSA-N	416.502	5.610	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2F)o1)c1nc(-c2c(F)cccc2F)cs1	518872835	CFOCBYUJPKPHPG-CYBMUJFWSA-N	424.403	5.977	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2	519368051	ZVLVNSUVHFIWHM-OKSBFYSISA-N	415.924	5.607	30	20	HKED	
Cc1sc(CNCc2cccc(OCCCC#N)c2)nc1-c1ccc(Cl)cc1	520958240	OZARPCNHQYVZQP-UHFFFAOYSA-N	411.958	5.744	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)cs1	521106322	KCDQETHRMSXFRP-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#Cc1ccccc1OC1CCC(NCc2ccc(OCc3ccncc3)cc2)CC1	522063597	VZYXXYTUZJHWDS-UHFFFAOYSA-N	413.521	5.012	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCSC[C@@H]2c2ccccc2)c1	522344018	XAYGHSUTJGEQRM-HSZRJFAPSA-N	414.530	5.068	30	20	HKED	
COc1ccc(N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)C2CC2)cc1	524139419	FNYYPOQJCARRBK-KRWDZBQOSA-N	416.477	5.184	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	524604383	NXFXKECRJFIJTE-FCHUYYIVSA-N	416.452	5.027	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl	524659645	ZWGAPBCLFUHOAW-UHFFFAOYSA-N	414.933	5.210	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	525457966	LYWLAWYANHOQCS-VQTJNVASSA-N	416.443	5.245	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(F)cc(F)cc3F)cc2Cl)cc1	525537409	PFBGAGUSMQUHFV-UHFFFAOYSA-N	402.759	5.674	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C	531313785	GNYRBEZCHAOZTO-DNVCBOLYSA-N	416.978	5.016	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)OCC	534395031	UCNAKRBXNRECTF-JOCHJYFZSA-N	420.509	5.015	30	20	HKED	
C[C@@H](C(=O)N(C)c1cc(Cl)ccc1C#N)c1cccc(C(=O)c2ccccc2)c1	534885642	QFFAAUNBMBPRQW-MRXNPFEDSA-N	402.881	5.209	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NCc2ccc(C#N)cc2OC(F)F)cc1	538256934	RUZSUEQJLXJRBB-MRXNPFEDSA-N	408.448	5.686	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1cccc(Cl)c1	538523027	BAPYBFDJZNWPSS-HNNXBMFYSA-N	410.930	5.481	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc(OC)c1OC	540312765	BEUILFSYIITHTF-QGZVFWFLSA-N	402.494	5.102	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	540841824	CIOPZMFVLDWKBH-VQTJNVASSA-N	401.432	5.055	30	20	HKED	
CC(C)CO[C@H](C)c1noc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	541085811	UFSYKCCBWFURPM-ZWKOTPCHSA-N	404.514	5.193	30	20	HKED	
N#CCC1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1	541965757	AENIFHQEODLEPC-FQEVSTJZSA-N	402.325	5.418	30	20	HKED	
CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cnc21	541998948	QHFPSMRJHPBHNH-QGZVFWFLSA-N	409.493	5.042	30	20	HKED	
N#CCc1ccc(CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)cc1	544087239	CSDNNHUZSCMMCC-UHFFFAOYSA-N	421.909	5.050	30	20	HKED	
N#Cc1csc(-c2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)c1	547034842	ZZYDWJULSFUULY-UHFFFAOYSA-N	409.474	5.249	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC[C@H](C#N)CCC#N	550170867	FPAUPAKJMCDGHP-HNNXBMFYSA-N	401.388	5.088	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CCc1ccc(C#N)cc1	551385702	OBZDZMHQCKETKG-UHFFFAOYSA-N	414.349	5.187	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)c2)o1	557032714	CVASXAVXCHDCKK-UHFFFAOYSA-N	417.484	5.429	30	20	HKED	
C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)C1	570475804	XGHQUEPLJMQMHH-CLOONOSVSA-N	403.526	5.376	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	573874078	QDSPKCWZAJIEOP-BTYIYWSLSA-N	419.868	5.646	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	586783618	CJKYWCNBIWRELV-NXEZZACHSA-N	404.301	5.655	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1	586816109	YSCQOPZNKRTSIS-UHFFFAOYSA-N	419.655	5.353	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)o2)c(C)c1	592973793	HCVBYFMQHOVKSF-KRWDZBQOSA-N	420.465	5.714	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1Cl	603673161	BATOOGCOPKXPIH-HNNXBMFYSA-N	415.674	5.603	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F	603970482	POGQNSMAAPTFJK-IBGZPJMESA-N	418.472	5.439	30	20	HKED	
COc1c(C)cc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1C	608784936	IBWVGYNDACSLLA-UHFFFAOYSA-N	416.481	5.035	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)c2)c1	609020494	OCXRUJMEVMQWKG-UHFFFAOYSA-N	415.880	5.453	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)cn2)cc1	609126378	TYLHVUHIPSIUQC-IBGZPJMESA-N	411.383	5.420	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(C#N)cc3F)o2)cc1	609228585	BKQXFQUARXAXMS-UHFFFAOYSA-N	411.436	5.258	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	609428231	FSAGTEWEBPPTFA-RTBURBONSA-N	416.546	6.154	30	20	HKED	
CC(C)(C)Cc1nc2cc(NC(=O)Nc3cccc(OCCCC#N)c3)ccc2o1	609811282	XNEWPQKBSIMCQC-UHFFFAOYSA-N	406.486	5.743	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1Cl	609814685	AJXTZIIUCSTPNK-PMACEKPBSA-N	404.922	5.823	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)c2)cc1	609930467	IXVLTFDKECAHIX-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](OC(F)F)C2)cc1Cl	611595198	WKQHNVLWQDWJRO-FUHWJXTLSA-N	419.859	5.231	30	20	HKED	
CC(C)(C)c1ccc([C@H](NC(=O)N(CCC#N)Cc2ccccn2)C(F)(F)F)cc1	614240565	VDEZPQZCBLKOJT-IBGZPJMESA-N	418.463	5.108	30	20	HKED	
O=C(Nc1cc(F)ccc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	675374831	VPWMOPMVZLUHDV-YUMQZZPRSA-N	424.263	5.022	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2c(C)nc3sccn23)no1	685375888	JUUDZSYDUZSALJ-UHFFFAOYSA-N	406.389	5.005	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1ccccc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726484825	IGYVANKNPIYPDX-QGZVFWFLSA-N	405.954	6.172	30	20	HKED	
CC(C)(C)c1ccc(CCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	727627976	JXYMQBOTAIDINU-GOSISDBHSA-N	409.480	5.928	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1	728458840	LKCINBRXDXQEIQ-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
CC(C)[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1	728767260	YYTCATHTQWWVQV-IRXDYDNUSA-N	403.309	5.471	30	20	HKED	
Cc1ccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccc(F)cc2Cl)cc1	731105737	JPQCFQVEXOOIOK-QFIPXVFZSA-N	423.875	5.601	30	20	HKED	
N#C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1	733258771	KYKJQUOVPQIBRF-AWEZNQCLSA-N	404.080	5.060	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3ccccc3Cl)n2)c1	733771046	JHMAFVCYDVXDHC-OAHLLOKOSA-N	411.914	5.074	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1)c1ccncc1	734665633	NZWOTQANCLEUPS-DNQXCXABSA-N	419.500	5.130	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1nc(-c2c(F)cccc2F)cs1	734711054	UYCWXMFSXBNYIT-AWEZNQCLSA-N	411.408	5.128	30	20	HKED	
COc1ccc(CON=Cc2ccccc2OC(F)F)cc1SC(F)(F)F	742350655	BBHZHYGBXRTJSU-UHFFFAOYSA-N	407.360	5.459	30	20	HKED	
N#CCOc1cccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c1	743103131	OROVEDNHKGNTRW-UHFFFAOYSA-N	417.431	5.584	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1C(F)(F)F	744029955	XVMVMNJCGQQFAF-GAJOTYCWSA-N	406.791	5.110	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccc(O)cc3)CC3CC3)c2)s1	745834479	KHHNRTIAWKOUSH-UHFFFAOYSA-N	417.534	5.114	30	20	HKED	
Clc1ccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)co2)cc1	746330775	HQKBBSMYNSGBIV-UHFFFAOYSA-N	419.868	5.520	30	20	HKED	
COc1c(C)cnc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C	746763389	IUFRUTPSODQQOD-JOCHJYFZSA-N	414.509	5.026	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1	748003957	NWUARKLHLYNLMF-QGZVFWFLSA-N	410.926	5.807	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	750689384	LVOVSPMONXJXEU-LRDDRELGSA-N	418.440	5.694	30	20	HKED	
C/C(=C\c1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	750689919	NUSHAIHAGNOIMO-SHQCLWGWSA-N	404.388	5.734	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	751152733	OUTALAGDKGTSDK-OAHLLOKOSA-N	405.281	5.132	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1F	752478190	ZTFFXHOSMLAYPA-YGRLFVJLSA-N	411.235	5.113	30	20	HKED	
Cc1cc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)s1	753396832	QQKPAMUPOJJIAU-LJQANCHMSA-N	405.548	5.559	30	20	HKED	
CC(C)C(=O)N1CCC(=NO[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)CC1	753821795	NVGYZWJXOHFXIS-CYBMUJFWSA-N	424.328	5.360	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNCCCOc1ccccc1	754704362	CRAWQIIFWITPIN-UHFFFAOYSA-N	410.949	5.101	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[C@@H](C#N)c2ccccn2)cc1	757875695	TZDUIPPMYLMZPQ-FQEVSTJZSA-N	409.514	5.600	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	766015843	CFHFRUCRWBCTCD-UHFFFAOYSA-N	424.888	5.412	30	20	HKED	
N#C[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1cccc(Br)c1	768186625	WFZLILVZLKMQTL-GFCCVEGCSA-N	418.505	5.404	30	20	HKED	
CC[C@H](Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1)c1ccc(C#N)cc1	774329730	UGUHRNHUUUVPEO-QFIPXVFZSA-N	412.493	5.357	30	20	HKED	
Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2C#N)c(C)n1[C@H](C)c1ccccc1	775082173	GRNARDUJLQGVDX-JKIKYLSZSA-N	412.489	5.025	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@@H](O)c1ccccc1	775562280	MPOGQBRACWHFHU-VWNXMTODSA-N	415.493	5.293	30	20	HKED	
N#C[C@@H](OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)C1CCCCC1	776388971	FQOJEOCLIPPRAX-MRXNPFEDSA-N	406.269	5.205	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1	776768990	RLRZQAQDXTXRSR-KRWDZBQOSA-N	419.525	5.079	30	20	HKED	
COc1ccc2cccc(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2c1	780315397	QYVXMHGHBXKCGI-GOSISDBHSA-N	405.404	5.012	30	20	HKED	
CCCCn1ccnc1-c1cccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1	780597013	RIWCKROYXOJMHA-QGZVFWFLSA-N	403.486	5.285	30	20	HKED	
COCc1cc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC	782776960	DJQZJHJEPMIVFR-RBUKOAKNSA-N	400.522	5.792	30	20	HKED	
C[C@@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782828430	DUTSHWCTYBGXOB-MWTRTKDXSA-N	404.897	5.180	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC(=O)CC(C)(C)C#N	782860072	LXWLGWDLXRIIIC-UHFFFAOYSA-N	404.388	5.111	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1OCC	783341536	SOSDZGJGTKWZQJ-MRXNPFEDSA-N	408.523	5.248	30	20	HKED	
C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1nnc(-c2ccccc2F)s1	784124016	VZKFFKVOKWBEOZ-JTQLQIEISA-N	421.375	5.153	30	20	HKED	
N#C[C@@H](COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1	784851175	IETTUVSUXZALOM-AWEZNQCLSA-N	418.346	5.039	30	20	HKED	
FC(F)(F)c1nc(Cl)ccc1CON=Cc1cccc(OCc2ccncc2)c1	786742927	NTFBVWWAOJXOGQ-UHFFFAOYSA-N	421.806	5.279	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(SC(F)(F)F)cc3)ccc21	786826821	KWHQAWSYMPZDTQ-UHFFFAOYSA-N	419.472	5.494	30	20	HKED	
C#CCC1(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)CCCCC1	788431276	SDONPVKWOGKXFR-UHFFFAOYSA-N	410.949	5.237	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(F)(c3ccccc3)CC2)cc1	788570862	FUQRGSRZGNKXSW-DEOSSOPVSA-N	413.496	5.835	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccnn1C(C)C)C(=O)c1ccccc1	794939841	USRYDVZBYYMNGK-HAVVHWLPSA-N	415.537	5.494	30	20	HKED	
Cc1noc(C)c1-c1csc(=Nc2ccc(C#N)c(Cl)c2)n1CC1(CC#N)CC1	797423478	ZDEYAKGQZSEIEG-UHFFFAOYSA-N	423.929	5.273	30	20	HKED	
CC(C)(O)c1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	806223048	STXDNHMGBZISAC-UHFFFAOYSA-N	415.493	5.203	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc(C#N)c1	806971520	ONPHKJXHYQRYNJ-DYESRHJHSA-N	421.541	5.028	30	20	HKED	
CC(/C=C\C(=O)c1cc(Br)ncc1F)=C/c1ccccc1OC(F)F	811694044	PECDXXDAONWHIS-NJMVCRMVSA-N	412.205	5.427	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1C	814577860	UKNDNEFSRNERMC-OAQYLSRUSA-N	401.466	5.312	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(NCc2ccc(C3(C#N)CC3)cc2)c1)c1ccccc1	864006252	FWXLCYHQFXHKKU-UHFFFAOYSA-N	415.924	5.784	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1	864007225	TZDKXTPXQSTSFA-INIZCTEOSA-N	421.722	5.144	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nnc(-c4ccsc4)o3)n2)cc1	915100660	XYVBKZRLXCBOBU-MRXNPFEDSA-N	420.519	5.039	30	20	HKED	
CN(CCOc1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353032	PXEIELYZKDICLY-NRFANRHFSA-N	403.457	5.024	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2ccc(-c3ccccc3)cc2)cc1	916546262	IWVAIPRCQBFMEO-UHFFFAOYSA-N	404.926	5.773	30	20	HKED	
C=CCN(Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S)C(C)C	917481703	WCPUNNNOKQQWRC-UHFFFAOYSA-N	402.561	5.586	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)COc1ccccc1	919908660	GWJPHZDLSHRDFP-SFHVURJKSA-N	401.466	5.248	30	20	HKED	
CCCCC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)ON=C(C)C)CCC2)cc1	1791313391	FCBGZUQXONQYSO-RTBURBONSA-N	415.578	5.138	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1	1831373493	DNYJQKHAKFMAMZ-DVECYGJZSA-N	408.586	5.010	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1cccc(C#N)c1	5219841	FKLZTKYFCUXYNL-CQSZACIVSA-N	406.511	5.025	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccccc2)c(C)s1	10827591	LTRLZDAAWDHQQW-UHFFFAOYSA-O	401.964	5.357	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(C)c2)c1	14871994	ZYWYVABLDBLBSH-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2cccc3ccccc23)c1	23603048	CBQNRDVXJYGPQZ-UHFFFAOYSA-O	414.554	5.432	30	20	HKED	
COc1ccc(C)cc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	25925978	WUWPZDGNIRXBHA-UHFFFAOYSA-N	402.519	5.098	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccc(C#N)cc3)o2)cc1	26123132	OBWKHCHOERKPLK-GOSISDBHSA-N	407.473	5.680	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1C#N	27102265	BUUXXGLUVGEBAQ-LLVKDONJSA-N	405.445	5.062	30	20	HKED	
N#Cc1ccc(NC(=O)CSCCOC(c2ccccc2)c2ccccc2)cc1	38663850	DEDHUTPHEDVOBI-UHFFFAOYSA-N	402.519	5.036	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C(F)(F)F)cn1	41555779	ITHVLEHJYGDZLD-IBGZPJMESA-N	412.436	5.883	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	55561401	JRQABCDDUWOYNE-UHFFFAOYSA-N	415.880	5.023	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2SC2CCCC2)CC1	58547465	HEFSVEOAHJSLPD-UHFFFAOYSA-N	420.582	5.337	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)ccc1OCC(F)(F)F	58560203	OBAJUCYPBUGZFP-QGZVFWFLSA-N	407.367	5.007	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C(C)C)c2)cc1	65870087	HWAOGLQDCPDSPA-IBGZPJMESA-N	406.526	5.030	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	72077651	VRKNWWWZSQCVGX-UHFFFAOYSA-N	419.484	5.760	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2nc(N=C(c3ccccc3)c3ccccc3)ccc2C1	167095823	UUQHZMNWDMRSTN-UHFFFAOYSA-N	413.521	5.544	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1F	213313140	ZLDRJGHIGFWBEL-LUAWRHEFSA-N	409.844	5.636	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccccc3)n2)nnc1-c1ccc(OC)cc1	255932993	ANCSVXFMMKSDHZ-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	303329617	SRDFBAJKUGVLKQ-KRWDZBQOSA-N	415.493	5.270	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	303399917	QPSIHXRVUQVQGH-AVRDEDQJSA-N	423.582	5.113	30	20	HKED	
CCc1noc(-c2ccc(C)c(NC(=O)N[C@H](CCCC#N)c3ccccc3)c2)n1	433038108	IBUMHOHXSVZBJR-LJQANCHMSA-N	403.486	5.164	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1F	435059617	WKDDHSRFMLHYMV-UHFFFAOYSA-N	402.425	5.169	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCC4CCCC4)CC3)cc2)cc1	435118214	IXVPTGQYKJFBMQ-UHFFFAOYSA-N	419.525	5.554	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc12	436005600	XVYUTSKZVYAWPV-UHFFFAOYSA-N	424.888	5.336	30	20	HKED	
CN(C)c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C(F)(F)F)c1	437908727	OJJYJRUWSXSLIC-XLIONFOSSA-N	416.447	5.075	30	20	HKED	
CC(C)(C)c1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n(C(C)(C)C)n1	437971830	QLFIDIOXKWMXBQ-RTBURBONSA-N	407.562	5.239	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1	438045595	UJTBHWQZUAAHMG-INIZCTEOSA-N	419.554	5.226	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)s1	438061441	AWRNLCGRSDZCRW-HIFRSBDPSA-N	402.589	5.491	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1SC(C)C	438248201	SHZSRRGEYOVKHZ-UHFFFAOYSA-N	417.962	5.393	30	20	HKED	
O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(C(F)(F)F)c(F)c1	439107049	KVVFGXZDLAOAAP-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1	439393766	GPLBSIWHZFKWBA-FQEVSTJZSA-N	406.873	5.694	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2Cl)c(OC(F)F)c1	439546176	VDDGURRCAYMNHH-UHFFFAOYSA-N	417.264	5.338	30	20	HKED	
N#CCC[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccccc1	439666243	NZPGDRJZCSQFAC-GOSISDBHSA-N	404.495	5.167	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1ccc(F)cc1	443891841	MUBXGDVNYDMYNG-UHFFFAOYSA-N	416.378	5.278	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c2ccccc21	444139337	GNBQHFAOOMCVTA-PXNSSMCTSA-N	411.427	5.250	30	20	HKED	
CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	448408046	SMXXYYLZAFSWSZ-MRXNPFEDSA-N	409.555	5.203	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCOc4ccc(Cl)cc43)ccc21	469292707	ZRWFLJISURKLKC-HXUWFJFHSA-N	409.917	5.249	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cc1	470894848	NQUJHOXOJGIDKE-GOSISDBHSA-N	401.853	5.325	30	20	HKED	
CC(C)(C)c1cnc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1	472702461	JONPWLSEGOZMJG-UHFFFAOYSA-N	424.888	5.611	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccs4)C3)cc2)c1	473823175	QTMFSVIUJVYIOU-FQEVSTJZSA-N	405.479	5.017	30	20	HKED	
CCCCC1CCC(C(=O)Nc2ccc(CNCc3cc(C#N)n(C)c3)cc2)CC1	480383467	KYQSFVFQMFNRLW-UHFFFAOYSA-N	406.574	5.122	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)CCN1CCCCCC1	480556193	PTKOOZZEJDGSRA-GOSISDBHSA-N	402.608	5.105	30	20	HKED	
C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481629851	USGQWOBCURHGQN-HNNXBMFYSA-N	421.497	5.489	30	20	HKED	
COc1ccc(Br)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	483498857	LSSJLVVRTLMPIO-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	484169595	AZJUZOLHZVGHMI-FOIQADDNSA-N	421.932	6.115	30	20	HKED	
Cc1cc(Br)ccc1CC(=O)Nc1ccccc1SC[C@@H](C)C#N	485626535	BYEKISAFIXQHSN-ZDUSSCGKSA-N	403.345	5.191	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	487150747	GSRVXQYQKJJKAP-HNNXBMFYSA-N	408.317	5.290	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	488225622	XCNKWPCYCRKQGQ-UHFFFAOYSA-N	410.857	5.425	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccccc1	489210390	BAFYSMJDRWQUCS-SFHVURJKSA-N	408.408	5.319	30	20	HKED	
Cc1cc(O)ccc1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C	489539643	RRTHXOMSADUKBE-UHFFFAOYSA-N	421.522	5.291	30	20	HKED	
N#Cc1ccc(S(=O)(=O)Cc2csc(C3CCCCC3)n2)cc1C(F)(F)F	492442019	OTSKSVQSGMRODQ-UHFFFAOYSA-N	414.474	5.055	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(Br)cc1	499430169	FZNRXXNJVVBZLD-HKBOAZHASA-N	405.295	5.087	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)c(F)c(F)c1F	500745009	QPTZJIMDRCVKDQ-UHFFFAOYSA-N	400.331	5.468	30	20	HKED	
N#Cc1ccc(C2=CCN(CCC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1	502531653	QXSLNLCUNRWDRD-UHFFFAOYSA-N	407.517	5.343	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(Br)c1	502627521	NTTLTGCEGRKXMF-UHFFFAOYSA-N	410.315	5.259	30	20	HKED	
Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc(C)c1OC(F)F	503086043	IFZUYZNEEGIPNS-UHFFFAOYSA-N	413.449	5.076	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCc2ccc(Cl)cc2)cc1C	503881818	DEENRPIVRULHSQ-UHFFFAOYSA-N	420.944	5.097	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ccsc2)CC1	509014317	WWRGLKYFRMKYPE-VXKWHMMOSA-N	420.582	5.155	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(N3CCCC3)CC2)cc1Cl	510053253	FGNWZHFXKHLICB-QFIPXVFZSA-N	422.960	5.088	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(Br)c1	510515173	PNRGHSVETZVLHN-NSHDSACASA-N	409.736	5.749	30	20	HKED	
Cc1cc2c(cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1)OCO2	511779810	XRVWMULAEVUYNC-UHFFFAOYSA-N	402.475	5.140	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1	513473643	AMPKUOLQGCIFJI-UHFFFAOYSA-N	413.502	5.202	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1	513857080	GPBNYLRRDGXEPH-MRXNPFEDSA-N	414.937	5.091	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2nc3ccccc3s2)cc1	521251534	FXRAPOFMTNTPAS-UHFFFAOYSA-N	403.438	5.029	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1	521258149	QFDMBZMDPYSQPT-SJORKVTESA-N	407.539	6.300	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1cc(F)ccc1F	521722432	DNSFCLRKAKBACQ-ZIAGYGMSSA-N	406.523	5.649	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1Cl	522777704	STQSLCWCXWJBNX-OLZOCXBDSA-N	408.354	6.270	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3c(s2)CCCCCC3)c1	523272741	CHZBPQGHUPIQSQ-UHFFFAOYSA-N	407.495	5.098	30	20	HKED	
N#C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)C1CCCCC1	524533776	NUCKXWAFWAMWEQ-LJQANCHMSA-N	415.994	5.081	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1ccccc1F	525650075	FZOOSLXDXLXKSY-HNNXBMFYSA-N	423.517	5.034	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@](C)(C#N)CCc3ccccc3)cc2)cs1	533046702	GNSWDISONLGYBN-QHCPKHFHSA-N	421.591	5.389	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc([C@H]2CCCO2)s1	534083412	HLVLXGPCPZDGCY-HXUWFJFHSA-N	421.497	5.161	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C1CC1	534800732	GYCADOXSXDDNAK-INIZCTEOSA-N	400.482	5.648	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1Cl	534875513	ILSNLEJGMQWCLV-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
C=CCC[C@@H](NCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1	538258303	UWLBVOHSWUXKBD-OAQYLSRUSA-N	419.550	5.236	30	20	HKED	
C[C@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1cccc(C#N)c1	539495068	CQKYYHWLYDEFBH-KBPBESRZSA-N	412.356	5.856	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2cccc(C[S@@](=O)c3ccccc3)c2)CC1	539931809	LZOUUTPMJUQIMS-WMXNZVEGSA-N	414.574	5.810	30	20	HKED	
COc1ccc(-c2nc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)no2)cc1	541086360	LPMUNEBZTBSSFY-QGZVFWFLSA-N	410.477	5.135	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)cc1	543037522	XXGONYAAWQGFBF-CLEWGBKMSA-N	409.555	5.154	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1	543276992	AUYBGQYMJYPKNH-UHFFFAOYSA-N	413.525	5.123	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@H](CC)c1nc(C(F)(F)F)cs1	544459081	YCGSOTLQWZBWGG-GFCCVEGCSA-N	415.506	5.119	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCCc1cc(Cl)sc1Cl	553084906	DUAFNKDCJAHSSU-UHFFFAOYSA-N	402.343	5.068	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1	554682367	YHYRWRUZMIJZJS-UHFFFAOYSA-N	424.732	5.411	30	20	HKED	
Cc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	554765215	QDKIQXKCIAOMIC-IFMALSPDSA-N	419.916	5.138	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1	569158747	QIENOBCNWKGDKF-GOSISDBHSA-N	402.519	5.281	30	20	HKED	
COc1ccc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C(C)(C)C)cc1	578280495	DCUHUYSTOWAFEM-UHFFFAOYSA-N	415.493	5.195	30	20	HKED	
CC(=O)c1cccc(OCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1	591040502	VWVJPRQETSOJJP-UHFFFAOYSA-N	418.880	5.026	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc2cc(F)ccc2s1	592973305	CMGRGXADDIHKOS-SECBINFHSA-N	419.915	5.764	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	608814743	QKXLLYZXNSAMIF-UHFFFAOYSA-N	401.466	5.430	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccccc1OC(F)F	609388603	MLUIDPCJCUZZMS-AWEZNQCLSA-N	422.522	5.412	30	20	HKED	
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	609451410	GQPBZJBDCDTQAJ-AOMKIAJQSA-N	419.912	5.926	30	20	HKED	
Cc1ccc(Br)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609500833	FLHMNXGEVPZSDT-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	609617258	YTJLVPXUYVAQCT-DJJJIMSYSA-N	408.889	5.483	30	20	HKED	
CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	609772968	QMHAKYBHANGAIK-CTNGQTDRSA-N	409.555	5.241	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1OC1CCCC1	610347979	FFLIDUDMULFZDK-DLBZAZTESA-N	407.514	5.010	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(C#N)c1	610728511	ILFFBMQBXYSJHF-WBVHZDCISA-N	404.539	5.454	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(Cl)c1	611094876	CNNQMFABNUBSPN-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5n4C(F)F)cc3c2C1	613401544	DAVUVLVUPFXHJO-GUYCJALGSA-N	418.447	5.528	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1	615492269	KOLYKXITJOVJCO-UHFFFAOYSA-N	421.522	5.229	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	617676403	BOBOGPOQSIPNRE-HXPMCKFVSA-N	414.292	5.094	30	20	HKED	
N#Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1Cl	619765689	FOIQWORZQYDLTM-UHFFFAOYSA-N	415.902	5.085	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)ccc2F)[n+]2ccccc2CC)c1	726572745	MLEHXQLPOOGXHR-UHFFFAOYSA-O	421.492	5.119	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Sc3ccccc3)C(C)C)n2)cc1	727232841	ULUNRZFNXHFUHO-UGKGYDQZSA-N	422.575	5.812	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12	727794734	IXUCXKUZRDQKLF-UHFFFAOYSA-N	413.408	5.321	30	20	HKED	
Oc1ccc(C=Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c(O)c1O	727973275	XGOLFOUUMIIDMI-UHFFFAOYSA-N	403.356	5.152	30	20	HKED	
O=C(O)C(=O)/C(=C/c1ccc(-c2cccc(F)c2)s1)c1ccc2ccccc2n1	728156694	MAMIMMSJGPSQDV-QGOAFFKASA-N	403.434	5.297	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cc(OC)c1OC	728441744	PFUGPWGBVQPFFG-KTKRTIGZSA-N	413.470	5.180	30	20	HKED	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(C)[C@H](C)CC#N)c1=S	728904217	MBDHTMFNXVBVOW-RSJGLCBASA-N	415.632	5.331	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730686782	JSADFJVHLVVVMU-QYZOEREBSA-N	423.299	5.598	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)NCc1cccc(C(F)(F)F)c1	730954534	BTBNSUIJOLYRRC-CYBMUJFWSA-N	409.502	5.444	30	20	HKED	
C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1Cl	731254435	LPRMWWPATUUXIO-OAHLLOKOSA-N	419.308	5.325	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(Sc3ccccc3)CC2)cc1	731753271	ZPFBJHNISXMNRV-QHCPKHFHSA-N	413.546	5.788	30	20	HKED	
C[C@@H]1CCCC[C@H]1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	733680315	ZQNHSJFINSGPPZ-KPAZRMRSSA-N	423.365	5.888	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc3cc(F)ccc3c2Cl)c1	733770345	GQMZWYAELQVCFD-AWEZNQCLSA-N	402.878	5.305	30	20	HKED	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	734646952	HWOQGXVKHNYXRG-UHFFFAOYSA-N	414.509	5.355	30	20	HKED	
COc1cc(CN(Cc2cc(Cl)ccc2OCC#N)C2CC2)ccc1OC(F)F	735305923	FFHWRTKQWSWWGE-UHFFFAOYSA-N	422.859	5.017	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1ccc(CSc2nc(C)cs2)cc1	741730867	WEUORPKVRVIHIU-UHFFFAOYSA-N	412.511	5.147	30	20	HKED	
Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	742434016	XGIFEZHQUDMDJT-LJQANCHMSA-N	416.546	5.356	30	20	HKED	
CC(=NNc1oc(C(C)C)nc1C#N)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743436034	DLGQNQCHYFFZDF-UHFFFAOYSA-N	417.300	5.307	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc(C(C)C)cs1	747197244	CRHVAAPQNQWHIG-HNNXBMFYSA-N	416.344	5.238	30	20	HKED	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCCCC#N	747361173	DOXPFMBNENZKTI-XSFVSMFZSA-N	424.547	5.092	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Cc3c(F)cc(F)cc3C2=O)cs1	751534844	FLHRXEFIXCMVGM-VGOFMYFVSA-N	410.445	5.237	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1	756916727	HSHLMJJIXSQACW-UHFFFAOYSA-N	401.422	5.090	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1	763005459	QSGCVGFIISFZRC-QFIPXVFZSA-N	402.519	5.221	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)N(CC)[C@H](c1cccnc1)c1ccc(F)c(F)c1	768116620	FSBVZKOQFBCRSP-YADHBBJMSA-N	417.500	5.269	30	20	HKED	
C[C@@H](N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc(OCC#N)cc1	768267422	VZGXXVVIMWULMT-FOIQADDNSA-N	407.514	5.580	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2c(C)cc(C)cc2Br)c1	770275533	UJQFTFIGZXRUMX-MRXNPFEDSA-N	416.319	5.069	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1	773294067	QTXKJSABPBQLKP-NRFANRHFSA-N	411.933	5.110	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1	774021329	GLZLRGPTBYMQKY-UHFFFAOYSA-N	414.465	5.115	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2c1	775493871	XWKNXRSLEMFRKS-UHFFFAOYSA-N	405.763	5.040	30	20	HKED	
Fc1ccc(CON=Cc2ccccc2OCc2ccncc2)c(Br)c1	780286589	DVADRFVXCUVRCA-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
COc1ccc(N[C@H](C)c2ccc(C#N)cc2F)cc1OCc1cn2ccccc2n1	781420718	COVXZLXEOCZGGX-MRXNPFEDSA-N	416.456	5.106	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=S)Nc1ccccc1-c1ccccc1	783787733	DBZVDPUBAQWAAF-UHFFFAOYSA-N	403.507	5.059	30	20	HKED	
C=C[C@@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	785754473	RIOGMUDBTWZMPC-NRFANRHFSA-N	420.962	5.743	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2ccc(Oc3ccccc3)cc2)c(-c2ccncc2)n1	788348888	FMOJDOSUFKLIRH-XFXZXTDPSA-N	420.472	5.547	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)C(=O)[C@@H](C#N)c1nccc2ccccc12	792106563	RUPCKXMFHBGUTQ-KXBFYZLASA-N	407.311	5.442	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1=S	794654539	CVMYGDPKKURJCE-DOMZBBRYSA-N	416.900	5.151	30	20	HKED	
CC1=C(Br)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	797614306	YZBWTIFUCLMZAC-LJQANCHMSA-N	410.315	5.249	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1	806400311	GMDCXZQNNOZBQM-OAHLLOKOSA-N	406.461	5.009	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)ncc1Cl	808384764	JXDAGIXNWDJMPM-SNVBAGLBSA-N	410.724	5.002	30	20	HKED	
Cc1cc(Br)c(O)c(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c1	810166530	KONWSESSRBNRSI-UHFFFAOYSA-N	410.271	5.134	30	20	HKED	
C#C[C@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccc(Cl)cc1	811517532	UZXUHPOJOCOPGV-FQEVSTJZSA-N	413.905	5.084	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(C2SCCCS2)cc1	914522574	UVDLEAIJNSSMJD-UHFFFAOYSA-N	420.559	5.867	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1	915088417	QEMCYQLINNOCGI-JWQCQUIFSA-N	412.489	5.152	30	20	HKED	
N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccccn1	915099038	RULYBSAROJJVEY-FQEVSTJZSA-N	401.416	5.317	30	20	HKED	
COC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	915101068	BVCDPLGLTMDCDS-INIZCTEOSA-N	411.870	5.132	30	20	HKED	
Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	917046118	FTRYTCIELVGJLB-YPMHNXCESA-N	405.306	5.555	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(F)cc2F)cs1	917530586	OLYHNJSARRJUQS-UHFFFAOYSA-N	406.845	5.205	30	20	HKED	
N#CCCCOc1cccc(NC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c1	917728504	VAUSLPBMKCIMSU-QNGOZBTKSA-N	406.482	5.749	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1	920475602	JQHLNCLVPPVVNQ-UHFFFAOYSA-N	409.392	5.186	30	20	HKED	
C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1	1830424246	XRTHWDRHWBUQMB-HSZRJFAPSA-N	414.634	5.016	30	20	HKED	
N#Cc1ccc(-c2ccc(OCc3nnc(-c4ccc(Br)o4)o3)cc2)cc1	14738893	RMNLPIRRXDUOKJ-UHFFFAOYSA-N	422.238	5.210	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1	25715947	BXFASKDACLKJTI-UHFFFAOYSA-N	423.541	5.855	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(-c2cccc(F)c2)no1	33175885	PJPIAEIEQXVIAP-GHMZBOCLSA-N	424.316	5.120	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OCC	47993199	GNLNXQZWCCSRBF-UHFFFAOYSA-N	417.465	5.104	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)Nc2cccc(OCCCC#N)c2)cc1C	59770492	UOJMLDGBUFAKCI-UHFFFAOYSA-N	417.534	5.785	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(N2CCOC2=O)c1	60203562	SRBDZATXLPOZQR-CSKARUKUSA-N	420.446	5.176	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	61531473	DDYHYMGWIBBHMI-UHFFFAOYSA-N	404.445	5.329	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N(C)Cc1ccc(C#N)cc1	63274208	OTCGVVZAMDKWKQ-UHFFFAOYSA-N	419.456	5.471	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1	108595233	HJHQXGKZOFIBIY-UHFFFAOYSA-N	414.465	5.265	30	20	HKED	
CC(C)n1cc(C(=O)/C=C\c2cccc(/C=C\C(=O)c3cnn(C(C)C)c3)c2)cn1	208118954	IPARAQLRGRCYCI-WGEIWTTOSA-N	402.498	5.034	30	20	HKED	
C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1ccc(C)cc1	301715293	MOLDVEVNBCERSP-UHFFFAOYSA-N	409.465	5.472	30	20	HKED	
Fc1ccc(Oc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1C(F)(F)F	302710809	ZKPBWIRKDMBDDT-UHFFFAOYSA-N	403.257	5.508	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1	302999598	YAAYFXNZXMRAHD-UHFFFAOYSA-N	404.495	5.446	30	20	HKED	
CC(C)(c1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1)C(F)(F)F	429683044	PEKLRAJNKBRIBN-LJQANCHMSA-N	417.431	5.004	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	429943247	FPYRPWGZGWDFDC-NRFANRHFSA-N	417.921	5.863	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)c1	430605723	RVEIQQVWBXMFEH-UHFFFAOYSA-N	408.910	5.787	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccc(CC)cc3)C2)cc1	432763183	ATYMJBCAUBWHMQ-HSZRJFAPSA-N	417.553	5.085	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(F)c2SC)cc1	435685420	OSYHKMDBDIUHKI-UHFFFAOYSA-N	408.454	5.472	30	20	HKED	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2c1	437396492	XPPRSONOPNYCCQ-GOSISDBHSA-N	409.411	5.633	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1F	437460690	HQJGJAMVYKGNNH-UHFFFAOYSA-N	415.424	5.090	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1	437598489	GJJJDRFLBADZHL-QGZVFWFLSA-N	423.969	6.133	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1	438670888	XGWHWRWEPOLSJT-LJQANCHMSA-N	422.598	5.067	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CCCc2cc(Cl)sc2Cl)cc1	445678335	LDTSNASVRZXLGU-UHFFFAOYSA-N	412.342	5.324	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C	460780384	RBNLIEHNRULYIU-SUMWQHHRSA-N	407.345	5.136	30	20	HKED	
C=CCN1CCC(NC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)CC1	463786774	DDGFYOKEYASDJD-UHFFFAOYSA-N	405.325	5.166	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)o1	464828468	GERAMJHVHCMUBE-QKLQHJQFSA-N	411.571	5.252	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(F)c(C#N)c2)c2ccccc2Cl)c(OC)c1	467775304	MURPOWMRDRDBEK-QHCPKHFHSA-N	410.876	5.247	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)n1	474421269	LQRVDDRWSFWSEJ-LLVKDONJSA-N	422.407	5.100	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	476085927	NGMFSPBZXHFTBD-UHFFFAOYSA-N	402.325	5.674	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C1CC1	477236897	UASYZIUCUDZGSV-KRWDZBQOSA-N	414.509	5.842	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CC)c1ccccc1OC(F)F	479785980	GXEDQLDNMZTDJF-IBGZPJMESA-N	420.504	5.304	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)o1	480563405	LZUKMYKZTADBMA-HLIPFELVSA-N	411.571	6.241	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	482158473	KYWXIJDSJMMOAR-HHHXNRCGSA-N	417.597	5.668	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	482901497	SFRACKVUASJVKD-OAHLLOKOSA-N	410.499	5.043	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	483115933	FPMYTBAQKBWIOC-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
N#Cc1c(SCc2ccc(Br)cn2)nc2c(c1-c1ccco1)CCC2	484984729	CTKDDXXZOCTCMJ-UHFFFAOYSA-N	412.312	5.152	30	20	HKED	
CC(C)CCn1ncc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1C(C)C	490170516	SZIPFMNLOHWKMC-UHFFFAOYSA-N	417.513	5.364	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	490629375	KWLSYVISCVOGES-UHFFFAOYSA-N	412.489	5.242	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	494780875	SQEPTDYFCVIQEY-CQSZACIVSA-N	423.410	5.519	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(F)c(Cl)c2)nnc1-c1ccccc1OC	497662985	HNRGMXWRBGDCNJ-CYBMUJFWSA-N	403.910	5.786	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(COc2ccc(Cl)cc2)n1	498122512	HZIMVKSSXORCPX-FQEVSTJZSA-N	411.914	5.128	30	20	HKED	
COc1cc(Br)cc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	499896977	SKKYDDQCVLGYON-LBPRGKRZSA-N	420.332	5.353	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2cccc(F)c2)cc1	502820570	ZKCWAFPJXABLEK-UHFFFAOYSA-N	418.424	5.100	30	20	HKED	
C=CCn1c(SCCOc2ccc(C(F)(F)F)cc2)nnc1-c1ccoc1C	503676276	GUUPQJSMGRCNAO-UHFFFAOYSA-N	409.433	5.222	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	505550037	HZNMJQBDEFHQCS-OLZOCXBDSA-N	421.312	5.528	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1	505909062	DCLXIRSESXIZQT-DEOSSOPVSA-N	401.485	5.409	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(-c2cccs2)n1	507390982	JHUVZFBEACLTAI-UHFFFAOYSA-N	400.463	5.065	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SC[C@@H](OC)c1ccc(Cl)cc1	509074859	NZDBDZUIHWHTSN-LJQANCHMSA-N	415.946	5.176	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCc2ccccc21	510022493	DESKQHCAJUCEOQ-LADGPHEKSA-N	415.924	6.147	30	20	HKED	
N#Cc1c(NC(=O)C2(c3cccc(F)c3)CCOCC2)sc2c1CCCCCC2	512324256	RCGGYDXXNPXTHE-UHFFFAOYSA-N	412.530	5.105	30	20	HKED	
O=C(C1CCC(C(F)(F)F)CC1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	512391841	HODSUUHGAOFZHF-QWQCLYJRSA-N	411.361	5.471	30	20	HKED	
C=CCN(C(=O)c1ccc(Oc2ccccc2)nc1)c1nc(-c2ccccc2)cs1	514450280	YCVMGAJGQJIQFA-UHFFFAOYSA-N	413.502	5.830	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc21	515540247	RHNGWYQFBDXTGU-INIZCTEOSA-N	406.436	5.532	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H](C)c3ccc(C#N)cc3)s2)cc1	517418301	YMCUOEWODQIJRZ-WBVHZDCISA-N	404.539	5.420	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2cscn2)c1	517456415	LZQBRJYDJJKBLE-OAHLLOKOSA-N	409.536	5.226	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1	518256006	VQDASDBNTWNABS-SFHVURJKSA-N	423.586	5.178	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccccc1Cl	518665788	PKSBAPLFRFLBIB-HNNXBMFYSA-N	420.987	5.342	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc(OC)c1	520599544	XVEZBUMXDCMCCD-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
CC(C)c1ccc(CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)cc1	520857943	FWKMIBZZEQSXIE-GOSISDBHSA-N	407.583	6.258	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)c1	520950277	NCBVYTCXWNNHCJ-JOCHJYFZSA-N	413.359	5.763	30	20	HKED	
CCOc1ccc(N(CC)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	521092294	RBSSXMGBKRMNFN-UHFFFAOYSA-N	400.478	5.610	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1NC(=O)NC(C)(C)C	524859748	WFUGLKIOOWOTMM-HNNXBMFYSA-N	424.570	5.419	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	525432849	NTGAIRHNYBAKMF-GJZGRUSLSA-N	415.864	5.618	30	20	HKED	
CCc1cccc(CC)c1-n1ccnc1SCc1nnc(-c2ccc(C#N)cc2)o1	525629333	XDVCUFLDTDFYSW-UHFFFAOYSA-N	415.522	5.211	30	20	HKED	
C=CCCC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1	534242322	SGJJYHPRSLZDMK-UHFFFAOYSA-N	413.930	5.224	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)n1	536765874	BZIWEZCUQPBFDH-ZDUSSCGKSA-N	408.426	5.569	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccccc1C(F)(F)F	537158288	VGDGDCWQXAIKAK-GJZGRUSLSA-N	421.488	5.246	30	20	HKED	
O=C(CN[C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F	539279489	DRDPNRSPNHOASB-OAHLLOKOSA-N	408.317	5.066	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)n1	542945876	YGPHLLNJJUTDFQ-INIZCTEOSA-N	418.806	5.072	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	547418029	WVPMFMFUDVAEQB-ACJLOTCBSA-N	403.404	5.201	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ncsc3C(F)(F)F)c2C#N)C1	548957661	BYSPWYOOJXHEBC-VIFPVBQESA-N	413.490	5.498	30	20	HKED	
N#CC1(N(C(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C2CC2)CCC1	551284931	ISYMIXFMZXEQRZ-UHFFFAOYSA-N	419.575	5.518	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2s1	552510716	APDSDSADKHCWML-GFCCVEGCSA-N	413.289	5.279	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1	574312846	KINPEYZFXFMONP-GOSISDBHSA-N	409.555	5.322	30	20	HKED	
Cc1ccc([C@H]2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)c(C)c1	580382386	RXUMTTVSHSMXIS-IBGZPJMESA-N	412.493	5.384	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1	589416289	CWFAZOBBAMATFF-HNNXBMFYSA-N	419.481	5.128	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603691247	KENKVEILGZQAHR-UHFFFAOYSA-N	424.407	5.011	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	603934639	UFLSXQSSAOPQOM-UHFFFAOYSA-N	403.326	5.405	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	604088145	GAANLGCHGPQWID-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCSc1ccccc1F	609060719	CDOCYPRSLWWAKP-UHFFFAOYSA-N	420.509	5.706	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccccc1	609377470	VRVAGDCCRVUGGR-KRWDZBQOSA-N	404.539	5.500	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1	609386054	ZAAKIZIVCTUDMF-QFIPXVFZSA-N	407.564	5.072	30	20	HKED	
CCO[C@@H](C)c1nc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)cs1	609754307	KICXXTPJZUMPJY-ZDUSSCGKSA-N	403.573	5.014	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1cccc(C#N)c1	610324590	BGZULDAWXIUTDP-OAHLLOKOSA-N	418.884	5.347	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	610331099	SRBQSCGZPDWYKS-SFHVURJKSA-N	403.404	5.345	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCC(OC(C)C)CC1	611049105	VODOTOHZPWPRMM-UHFFFAOYSA-N	421.541	5.303	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(Nc2cccc(Br)c2)s1	611141189	LCDWWGJIMGGKJU-OAHLLOKOSA-N	417.357	5.271	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c(Cl)c1	611426541	XFFQGWLEYCJVCM-UHFFFAOYSA-N	407.260	5.456	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cc(Br)c(F)cc2F)c(Cl)c1	615807126	VNAGHCYEHPTOHZ-UHFFFAOYSA-N	406.013	5.158	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2c(F)cccc12	619756513	LZFDIGPYNGPGRU-INIZCTEOSA-N	401.422	5.366	30	20	HKED	
C=CCn1c(SCc2ccc3ccccc3c2)nnc1[C@@H]1COc2ccccc2O1	671801153	PSNOOOXXRBJWAJ-QFIPXVFZSA-N	415.518	5.422	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)c1ccccc1	676457192	VNJSWUSEEWBNKS-MRXNPFEDSA-N	422.472	5.103	30	20	HKED	
COc1ccccc1/C(C)=C/C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	727629127	RURQPYGLJUPFMV-RZXPCSSPSA-N	416.424	5.603	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	727995868	SZVQVDRRBCQNGL-UHFFFAOYSA-N	420.534	6.182	30	20	HKED	
Cc1ccsc1-c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1	730150478	KTMQAIGXJRVDQU-BOPFTXTBSA-N	411.552	5.079	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1	730532178	DHUHYVPJBANPIT-UHFFFAOYSA-N	417.456	5.503	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12	730919971	IBWUBKHJDHZZOL-FHWLQOOXSA-N	423.299	5.598	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1	732437690	YTLUVTLKVVHENE-UHFFFAOYSA-N	421.884	5.143	30	20	HKED	
CCCCc1ccc(NC(=S)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1	733208593	GMLABBYKILQSJO-HXUWFJFHSA-N	411.571	5.205	30	20	HKED	
C[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(OCC#N)cc1	733328217	LSKVJJHAAHNTLF-AWEZNQCLSA-N	417.456	5.582	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC	733615614	INLBGVNUSOEZPB-MRXNPFEDSA-N	408.285	5.005	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1	733771549	OIKJBHRKIVIHNM-SFHVURJKSA-N	422.431	5.368	30	20	HKED	
O=C(/C=C\c1nccn1Cc1ccccc1)c1ccc2ccccc2c1OC(F)F	734096236	LIPBASDABOBKTD-SEYXRHQNSA-N	404.416	5.582	30	20	HKED	
C[C@@H](CC#N)OC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1	735215895	FUTMWTXWGOGZAC-KRWDZBQOSA-N	400.434	5.190	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)CCOc1cccc(Cl)c1Cl	735344136	GCCSPWUHGMSQHS-UHFFFAOYSA-N	414.672	5.061	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C)cc1	739154947	NJSHFOWRWXKCOJ-RHSMWYFYSA-N	403.309	5.533	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ccccc2OCC#N)cc1	741644184	BTJRKHLLWASMIA-GOSISDBHSA-N	400.478	5.098	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1	744360077	OQSQWIMCVLRLKW-SSZFMOIBSA-N	409.411	5.244	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)c3ccccc3Sc3ccccc3)o2)cc1	745408291	QQSCZCSQPAVSSD-UHFFFAOYSA-N	413.458	5.116	30	20	HKED	
COc1ccccc1C1(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1	749344647	YXGPYTRSMFCIDA-ZDUSSCGKSA-N	416.424	5.232	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ccc1OC	751099167	WBYPMFCZXNTKGL-XXBNENTESA-N	423.557	5.271	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOCc2ccc(Cl)cc2)cc1	754406155	NRAARJVAOYMKBO-HSZRJFAPSA-N	419.912	5.334	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1Br)c1ccncc1	756040395	SZWJZNWRSZFDBV-RBUKOAKNSA-N	400.320	5.008	30	20	HKED	
CC[C@@H](C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	756233695	OKAVEVMCFNKGCK-FZKQIMNGSA-N	402.466	5.476	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1nc2cc(Cl)ccc2s1	756239669	CGMQQXKVCKYNEK-GFCCVEGCSA-N	404.825	5.067	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1	758536143	QBCSYZQQJMGEOQ-ZLNRFVROSA-N	415.493	5.055	30	20	HKED	
C#CCCCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	758630543	HZLCOPXXEFRDEY-OBGWFSINSA-N	419.506	5.055	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2c(Cl)oc3ccccc23)cc1	761252656	HXSDWIFQJGICNC-UHFFFAOYSA-N	403.294	5.506	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CCO2)c1	762295797	MLOOZZZJOXNHGC-IBGZPJMESA-N	408.910	5.154	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3cc(C)ccc3C2=O)cs1	763117617	WMJLDXYPFVQWSU-AQTBWJFISA-N	418.518	5.493	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	763470505	RNNWPZUURHETPW-YZGWKJHDSA-N	421.541	5.084	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)c1OC	768156676	QSVAOWQUCGQKIU-QFIPXVFZSA-N	414.505	5.029	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1	768765108	JBXMZGOHADCGHQ-HXUWFJFHSA-N	424.287	5.325	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3c(F)ccc(Br)c32)c1	772986089	ZRZHUJCZLPGOCD-IFXJQAMLSA-N	403.295	5.046	30	20	HKED	
C=CCC[C@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccc(C(F)(F)F)cc1	775313868	LBUMLVDUTYRMAU-FQEVSTJZSA-N	402.460	5.412	30	20	HKED	
Cc1c([C@@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C(C)C)oc2ccccc12	775410485	SHWOFNDFCWEDIO-CYFREDJKSA-N	424.504	5.265	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)OCc1ccccc1	775598894	NDHXSEVPNVYVHW-UHFFFAOYSA-N	401.466	5.041	30	20	HKED	
CN(C(=O)Cc1ccccc1CC#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	776988450	HKCCONTUNUCZMK-DEOSSOPVSA-N	406.888	5.336	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	780486232	QKVWIDAWSZNHIR-XFQXTVEOSA-N	401.432	5.537	30	20	HKED	
CCOc1ccc([C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2)cc1	780669489	LAVIHAAVZMKJDA-HOYKHHGWSA-N	415.493	5.287	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	780674231	LLEQXJAOVHRXKX-WIYYLYMNSA-N	424.504	5.412	30	20	HKED	
Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1C(C)C	787187016	KGIOYODVBQUMLB-QXMHVHEDSA-N	407.901	5.574	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1Cl	789889180	JDFSOWWIQUEPGN-GOSISDBHSA-N	424.976	5.317	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1cnc2ccccc2n1)c1ccccc1	792100386	NFAQILKZCNDOPL-LDVBQKTRSA-N	405.457	5.055	30	20	HKED	
CCC1CCC(N(CCO)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	792732565	HWHYQIDFCZQLQS-TVNWEXPRSA-N	405.542	5.137	30	20	HKED	
C=CC[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)c(Cl)c1	797554428	UQJPWHSGSMWNHG-SFHVURJKSA-N	418.276	5.121	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(C2CCC2)c1	798738032	HUNLIVWENGZMNZ-INIZCTEOSA-N	408.523	5.144	30	20	HKED	
O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ncsc1C(F)(F)F	801678294	ICBLXCWNGRREHM-VIFPVBQESA-N	423.256	5.641	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	802043186	SNEBBUAIFBWZPF-ZWKOTPCHSA-N	420.406	5.188	30	20	HKED	
C=C(C)Cn1c(C2CCCC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	802551380	SZZGXKWEVCGYRU-OAQYLSRUSA-N	414.981	5.115	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1cc(C#N)ccc1NC1CC1	803320378	SMHWKFROAJTKAY-UHFFFAOYSA-N	420.513	5.051	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(Cc4ccccc4)CC3)n2)cc1	805855223	HMJGBCAMELAVNG-QFIPXVFZSA-N	415.562	5.207	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)c2cc3c(Cl)cccc3s2)c2ccccc21	825219336	SEKQPVJHZHHXLC-UHFFFAOYSA-N	422.893	5.463	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1	864028666	XBXVBUIHQNVFSP-UHFFFAOYSA-N	421.220	5.137	30	20	HKED	
CSCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2ccccc12	915088353	MVLOWHGUKVWKKM-OAQYLSRUSA-N	412.514	6.204	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Nc2ccccc2)cc1	915637356	VFTSMCGGJPUAFS-UHFFFAOYSA-N	401.466	5.108	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1OC	915701321	PNRSVHUGTNYYPD-FQEVSTJZSA-N	402.454	5.027	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4cccc([N+](=O)[O-])c4)c23)cc1	916357146	BFYJIYWQKRFHSP-UHFFFAOYSA-N	419.466	5.111	30	20	HKED	
CCCOCc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916640902	WUHGXFHGBZPTNS-VWLOTQADSA-N	413.521	5.590	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)c1nc2ccccc2[nH]1	916844379	CHLHKSJDLGBXNA-GOSISDBHSA-N	407.901	5.519	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cnc2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1	917043741	OGYDLVYKIVIDQP-AFNCTOJWSA-N	424.407	5.148	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1	917047124	RLSFVPXAQBVNJL-SCXUMTSISA-N	422.815	5.738	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(OCC2CCCCC2)cc1	920109694	UEUKTHCUNLLLKI-IBGZPJMESA-N	410.901	5.260	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccc(Cl)cc3)n2)cc1	920143411	WRUFPWWZMHAHQZ-GOSISDBHSA-N	423.950	5.694	30	20	HKED	
N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@H]54)cc3)CCC2)CC1	1789191003	VVPAMNOJRCJDJU-STZQEDGTSA-N	419.569	5.031	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)cc2)CCC1	1792364355	RAZQCEKWHYLEBQ-NTUHNPAUSA-N	413.521	5.200	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3sccc3s1)C2	1798592930	UHXUPRHBEHXXGS-MUJYYYPQSA-N	416.612	5.207	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1	1826279039	ARHHGFHKTKFPEQ-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
N#CCCn1cc(-c2csc(Cc3nc4ccccc4s3)n2)c2ccccc21	6980311	KTOYCBVAZHXWBC-UHFFFAOYSA-N	400.532	5.879	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1	7034546	IGOCCOYIJFSZKI-INIZCTEOSA-N	414.456	5.639	30	20	HKED	
Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccccc2)c(Cl)c1	15248343	VCORSRYKOQUTON-UHFFFAOYSA-O	423.989	5.912	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccccc2)cc1	22729770	FRKUPMWPDYLDQA-UHFFFAOYSA-O	405.543	5.041	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(C)no2)nc2scc(-c3ccc(C)cc3)c2c1=O	22830511	LFSRMIKELMYLBM-ZDUSSCGKSA-N	424.551	5.164	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(C(C)(C)C)cc1	27808727	BRGUFAZAFLAOFQ-HNNXBMFYSA-N	411.575	5.788	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	41512592	WWMURKJDDZTEQQ-INIZCTEOSA-N	409.492	5.239	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)ccc1OCc1ccccc1Cl	41520260	VJADCNXNZGQFOJ-INIZCTEOSA-N	412.898	5.183	30	20	HKED	
CCc1noc(C)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	51285351	JFIIQTBOWCVHSZ-GFCCVEGCSA-N	406.294	5.466	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)c2Cl)cc1	59770346	OTONLAWFAMRTOH-UHFFFAOYSA-N	422.916	5.137	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)s1)[C@@H](C)c1ccc(C#N)cc1	97174694	MFGXXUOUMZLYQU-INIZCTEOSA-N	418.522	5.487	30	20	HKED	
CC(C)(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	303117723	DSQCCFLDWTZJEM-UHFFFAOYSA-N	413.361	5.170	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)cc1	303373569	KQBWWPDBLRJLIN-CYBMUJFWSA-N	404.333	5.023	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2ccccc2)n1	303422819	YVUCPRJXPUFSBM-MRXNPFEDSA-N	423.563	5.608	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCCCC[C@@H]3c3ccncc3)c2)c1	303638235	QGQKTOHPUUMLHF-RUZDIDTESA-N	411.505	5.290	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1	303704514	OVTGNAHRZUSOOJ-QUCCMNQESA-N	408.571	5.071	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F	303805476	AXBVCRASQSVXHQ-HKUYNNGSSA-N	405.404	5.074	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1	409742793	VCCYSKYAJVDGPP-KRWDZBQOSA-N	401.466	5.029	30	20	HKED	
CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	429756870	KWPDNJZAXWDRJA-UHFFFAOYSA-N	417.513	5.054	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1	432845529	JIYXJEYGZCEAIQ-JOCHJYFZSA-N	416.550	5.931	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	432863704	FCBAOWINVZWNAB-GTNSWQLSSA-N	411.424	5.487	30	20	HKED	
CC(C)(C)c1ccc(C(C)(C)CNCc2cn(CCC#N)nc2-c2ccncc2)cc1	433328031	QNPXQFJRWLBAPZ-UHFFFAOYSA-N	415.585	5.224	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1	438484558	RGZOQQKNDNQTGX-UHFFFAOYSA-N	400.482	5.557	30	20	HKED	
C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3ccccc3F)n2)CCCC1(C)C	444787664	YEPPWNGGUSRXGA-FQEVSTJZSA-N	401.551	5.534	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	460374204	KDKUHYVWOZIYGY-ZYSHUDEJSA-N	420.479	5.312	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@@H](C4CC4)C3)cc2Cl)cc1	462257757	QRFNZJRCMOYDTR-LAUBAEHRSA-N	411.889	5.083	30	20	HKED	
N#C[C@H](NC(=O)CCc1cncc2ccccc12)c1ccc(OCc2ccccc2)cc1	462605632	NOMRAIXNKCWFGT-SANMLTNESA-N	421.500	5.127	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)cc2)cc1	463663904	MJAHUJYXAPNODE-UHFFFAOYSA-N	422.444	5.530	30	20	HKED	
N#Cc1ccc(OCCNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1	464070933	JRIMRDZGNGHPEC-UHFFFAOYSA-N	409.848	5.094	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2)cc1	464418656	HNHPNRDCWWCOIX-IBGZPJMESA-N	407.351	5.254	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1	467517208	SHADIZMLYZVBNV-UHFFFAOYSA-N	424.328	5.352	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	468410120	WVGPZBRBZZUQNQ-HNNXBMFYSA-N	409.301	5.188	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(Cn2ccccc2=O)cc1	475555656	XZTVMVUSDVAHRX-UHFFFAOYSA-N	415.537	5.070	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1	475578046	LBQZOYVZYROGMS-GOSISDBHSA-N	407.558	5.845	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(-c2cccc(C)c2)cc1	476162960	PZPIXABLUYLBOX-UHFFFAOYSA-N	404.510	5.035	30	20	HKED	
COc1cc(SC)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	487445550	UQORZVLVEYAISH-UHFFFAOYSA-N	404.491	5.528	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccccc1	487575088	NUUYVXQNTXVYCL-GOSISDBHSA-N	413.399	5.525	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1-c1ccncc1	489448752	SDUHFIFNPBEJON-UHFFFAOYSA-N	416.554	5.011	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1CCCc1ccccc1	494049239	MZECMMRCYFOFKU-PZJWPPBQSA-N	407.583	5.958	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)Cc3cccc(C#N)c3)cc12	498482304	BRGDPNKQMHEOPU-UHFFFAOYSA-N	420.925	5.193	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)cc1	499695388	QFVBEKFBWXLOQR-ZDUSSCGKSA-N	406.313	5.118	30	20	HKED	
CCC1CCC(N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	503280691	BPBAWYILZUJMGG-UHFFFAOYSA-N	405.542	5.764	30	20	HKED	
N#Cc1ccccc1-c1ccc(COc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)cc1	504446038	MYYCWEHBRBUNMF-DEOSSOPVSA-N	423.472	5.706	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	504481286	WWLRQDDOJDOUBH-MRXNPFEDSA-N	422.510	5.177	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2ccccc2Cl)C1	505126665	UFZVAEFCVZBYEC-QHCPKHFHSA-N	402.881	5.092	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	505981752	MTQMGHIEUJLYGJ-CQSZACIVSA-N	424.353	5.343	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N[C@H](c1c(F)cccc1F)C(F)(F)F	506683056	YPBNTZNCIFKXNJ-CQSZACIVSA-N	412.280	5.495	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cc1	507822849	CXZCMECMLBMMLK-OAHLLOKOSA-N	421.884	5.452	30	20	HKED	
C=CCOc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1	511482473	KECOUNWRVZIGFN-IBGZPJMESA-N	403.526	5.202	30	20	HKED	
Cc1ccc2cccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2n1	512508833	KAAHPKHQMHEOHO-UHFFFAOYSA-N	424.479	5.788	30	20	HKED	
N#CCc1cccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1	514425411	XRSFTDDMMJMBLX-OAQYLSRUSA-N	413.908	5.449	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccccn1	517530219	PZABHYYXEWABSW-HTAPYJJXSA-N	402.523	5.387	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1	519401237	PAQLRNKCTIKBAM-NSHDSACASA-N	401.340	5.046	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	520271739	GTAIDPLKCVHBIS-MRXNPFEDSA-N	402.306	5.420	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(COC2CCCCC2)c1	520810222	HPRWBKGABAXYHA-UHFFFAOYSA-N	408.542	5.765	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	521087049	KSMMQTYEARMSMR-QZTJIDSGSA-N	411.288	5.795	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1	521752214	UGVNAXGETJSRDC-MOPGFXCFSA-N	402.416	5.154	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1	521811873	XMSUYGZEVSVLRT-VMRPVKRXSA-N	413.518	5.262	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	522650388	KKYMMHVMIJATHV-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
CCCc1ccc(-c2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)cc1	522856853	YBYWCMNZSFWCFR-UHFFFAOYSA-N	414.553	5.604	30	20	HKED	
C[S@](=O)Cc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1Cl	523158169	PBGCPMDCFGJYPH-LJAQVGFWSA-N	423.925	5.086	30	20	HKED	
Cc1nc(SCC(=O)N[C@H](Cc2ccccc2)c2cccs2)c(C#N)c(C)c1C	523956050	WISRFCMCMCKKTD-HXUWFJFHSA-N	421.591	5.132	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ncc(-c2ccccc2)o1	525348065	OUFJSWFEJVWNJM-CVEARBPZSA-N	406.511	5.619	30	20	HKED	
CCN(Cc1ncc(-c2ccccc2Br)o1)[C@@H](C)c1ccc(C#N)cc1	525633514	XMKBDMMLIVWORE-HNNXBMFYSA-N	410.315	5.559	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(C)cc3)no2)nnc1-c1ccccc1C	532018098	YCTMTVREMJVNQU-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)c1ccc(Br)cc1	533883889	FJXDXSLUWLPJBK-GOSISDBHSA-N	419.706	5.028	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1Cl	535583121	TYUJRXOSHVLKIM-UHFFFAOYSA-N	419.824	5.115	30	20	HKED	
N#CCC1CCN(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1	541036258	UXGKQIGGZMHRFN-HXUWFJFHSA-N	420.944	5.288	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1	541041658	JXHJNOZBOLYDRW-UHFFFAOYSA-N	403.404	5.655	30	20	HKED	
CC(=O)N1CCc2c(sc3nc(-c4ccccc4)c(C#N)c(-c4ccc(C)cc4)c23)C1	541585399	BVGLCQICHWTTAV-UHFFFAOYSA-N	423.541	5.715	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1	542005918	HUGCWDOIJCYYLG-ZDUSSCGKSA-N	418.353	5.580	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)cc1	543608301	DTNKAHZOQHFYMM-RPWUZVMVSA-N	415.468	5.091	30	20	HKED	
CCN(C(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1	544742726	OHQSNJVREOKRBE-SFHVURJKSA-N	406.526	5.166	30	20	HKED	
COc1cc(-c2noc([C@@H](C)Oc3ccc(C#N)cc3)n2)cc(Cl)c1OC(C)C	546230910	WDSLLDXHUHGCKY-CYBMUJFWSA-N	413.861	5.197	30	20	HKED	
CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1	549897453	DQZJTUQGOVNLQO-UHFFFAOYSA-N	403.983	5.010	30	20	HKED	
C[C@](C#N)(NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C1CCCCC1	550351340	XTWFGXWPYSXRBL-LJQANCHMSA-N	409.477	5.226	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1	550831253	UTAVUJDDNPZDBR-IERDGZPVSA-N	409.986	6.858	30	20	HKED	
N#Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)ccc1F	551572910	UFZMELTYUOTPLU-UHFFFAOYSA-N	419.506	5.777	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C1CC1	554159787	NHZCRMJNBWLOHF-UHFFFAOYSA-N	415.497	5.724	30	20	HKED	
Cc1c(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)sc2ccc(C#N)cc12	559862159	AMCDVPQFFOXZNA-QGZVFWFLSA-N	403.551	5.037	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H](OCC)c2ccccc2)no1	564278337	NPAOXEHJNIVHDX-SFHVURJKSA-N	404.388	5.446	30	20	HKED	
CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564431584	IGXCFTQLRLRWCZ-UHFFFAOYSA-N	406.873	5.105	30	20	HKED	
Cc1cc(N2CCCC[C@H]2c2nnc(C3CCC3)o2)n2c(nc3ccccc32)c1C#N	564492932	TVIZRQKKODAIOE-FQEVSTJZSA-N	412.497	5.050	30	20	HKED	
C[C@@]1(Cc2ccccc2)CCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	584439869	PYHQHVKTNBJRCU-VWLOTQADSA-N	412.493	5.375	30	20	HKED	
Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C2CCCCC2)n1	588736861	CENHAGQYLATUDR-KRWDZBQOSA-N	424.957	5.735	30	20	HKED	
CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)C)cc1	603705778	VUVPKANUZGSHPI-NRFANRHFSA-N	411.933	5.006	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c(C)nc2ccccc2c1C	603739849	MEGRBRVVUNEMIJ-UHFFFAOYSA-N	422.488	5.400	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1nc(C(C)(C)C)cs1	609435256	AXCBKUDPKQDFIH-CQSZACIVSA-N	402.589	5.199	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1	609498106	RQQFNMOAWTXEKM-UHFFFAOYSA-N	406.482	5.178	30	20	HKED	
N#C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C1CCCCC1	609648939	HVSFVHOQLRERFI-GOSISDBHSA-N	401.967	5.085	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c3ccc(C#N)cc3)s2)cc1	610090074	KOYLUWHXKWLHOI-SJLPKXTDSA-N	418.566	5.762	30	20	HKED	
Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1NC(=O)NC(C)(C)C	610124652	HWACIQYIKOUWQC-UHFFFAOYSA-N	420.557	5.085	30	20	HKED	
COc1cccc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)oc12	613319568	HMVZYGDJELPACK-OAHLLOKOSA-N	408.866	5.708	30	20	HKED	
Cc1sc(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)nc1-c1ccc(Cl)cc1	618802943	OJOUBAYWRHJVQP-IBGZPJMESA-N	422.941	5.130	30	20	HKED	
CCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1	726571376	FUEGLOGHQZZQIN-UHFFFAOYSA-O	420.945	5.385	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cnc(-c2ccccc2)nc1	727267127	CXAOFJMVUIVGTH-KPKJPENVSA-N	401.466	5.611	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1	727654582	NTZJNTPUFSQWCT-LFYBBSHMSA-N	417.939	5.072	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)oc1ccccc12	728158822	HLWWRPOKQXURNG-OAQYLSRUSA-N	411.461	5.074	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	729890839	QZWKCZVHVAFCHU-LCRSLFLVSA-N	400.478	5.259	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](NCc2ccc(O[C@H](C)C#N)cc2)CCC3)cc1	731679049	VMIDREIVPZRZCN-IIBYNOLFSA-N	419.550	5.277	30	20	HKED	
N#CCCN(C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1ccc(F)cc1	732094119	QWMTYYPYJQNMBF-UHFFFAOYSA-N	413.427	5.740	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2ccc(C)cc2)ccc1OC	733229411	BLCMFDQLJXXKRY-LJQANCHMSA-N	420.534	5.343	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc3c(ccc4ccccc43)o2)cs1)C1CC1	734306796	SNPVTWFPNCXQCS-JXMROGBWSA-N	402.475	5.454	30	20	HKED	
C=CC[C@H](NC(=O)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1)c1ccncc1	734682959	HXNUEBMLLIHNSQ-IBGZPJMESA-N	421.463	5.098	30	20	HKED	
COc1ccccc1C(=O)Nc1ccc(OCc2cc(Cl)ccc2OCC#N)cc1	735302755	FAFSQTDQQOCWLR-UHFFFAOYSA-N	422.868	5.082	30	20	HKED	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	735742901	KHWSPBYMBHIUQM-YMPZKCBVSA-N	405.542	5.305	30	20	HKED	
CC(C)n1ncc2cc(/C=C3/Cc4ccc(OC(F)(F)F)cc4C3=O)c(Cl)nc21	737448755	JCCLKUQPAWITDN-SDQBBNPISA-N	421.806	5.387	30	20	HKED	
Cc1ccc([C@@H]2[C@@H](C)CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	738340585	MFPKEDRWSURLHA-HCYUJWNOSA-N	410.521	5.005	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2cnc(-c3ccncc3)s2)s1	741529425	UJQFNDIFJYFPKL-UHFFFAOYSA-N	401.561	5.212	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)CC(F)F)cc1	741852431	OAMYTUYMAVJPEZ-YRNVUSSQSA-N	420.408	5.021	30	20	HKED	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)c(OC(F)F)cc1C	743281641	DDWKBTLFNPHDCS-MFOYZWKCSA-N	416.474	5.182	30	20	HKED	
COc1ccc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc1OCc1ccccc1	746346306	PCOYNFUHLYCEMQ-QBFSEMIESA-N	404.510	5.565	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Cl)nc1Cl	749132442	DVCYAPUGROJMFT-UHFFFAOYSA-N	418.093	5.118	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)c1	750683515	GODWWDAROBOEKR-KDOFPFPSSA-N	423.925	5.025	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(F)cc2F)cc1	751015543	WLMNHSZTNRJLDH-UHFFFAOYSA-N	411.433	5.446	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1	751143105	SFGWDWVHFOFVQY-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
C=CC[C@@H](NC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccncc1	754922797	YVTABXLUGVTKGE-MGPUTAFESA-N	403.448	5.653	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)ON=Cc3ccc(Br)cc3)o2)cc1C	758410531	NAEZLRMHABCEJD-CQSZACIVSA-N	400.276	5.228	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2cccc(OCc3ccccn3)c2)cc1	764954192	IXTLPPQXSDZGHB-IBGZPJMESA-N	408.929	5.643	30	20	HKED	
Cc1cc(Cl)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	766257953	SGIBCGYRVWSSAS-IBGZPJMESA-N	404.853	5.402	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)n1	766383787	APYCHWRZOCODIX-AAEUAGOBSA-N	409.324	5.223	30	20	HKED	
Cc1cc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)ccc1C#N	766489531	FBNZMTWCDQFDHO-NVNXTCNLSA-N	409.923	6.042	30	20	HKED	
Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	767762045	IXRQVJQBBCLHOV-PZJWPPBQSA-N	422.598	5.522	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[C@@H](C)c1ccc(C#N)cc1	769435055	KBZYOVDRWJHUBH-KRWDZBQOSA-N	419.525	5.032	30	20	HKED	
C#CCC1(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)CCCCC1	772814435	GFOQTHWFCORQSI-LJQANCHMSA-N	422.594	5.499	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	776900996	KNTNUNZCEKASJI-UHFFFAOYSA-N	401.466	5.350	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780585051	UZVRUNHOIOAJMW-QGZVFWFLSA-N	401.466	5.509	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NCc1cccc(OCc3ccccc3C#N)c1)CCC2	780763891	GOEREJGRQVGMEC-DEOSSOPVSA-N	400.526	5.082	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1	791128031	VBUNRVVGPWXYOB-UHFFFAOYSA-N	422.488	5.256	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCSc3ccc(Cl)cc3C2=O)cn1	792883586	GCRRGMRWYNFFBZ-XNTDXEJSSA-N	408.910	5.568	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCc3[nH]c4ccc(Cl)cc4c3C2=O)cn1	792906541	QWJYIODTDHLMCR-XNTDXEJSSA-N	415.880	5.499	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1Cc2ccc(F)cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1	796643782	PUQGTIJWOQZXJN-HZPDHXFCSA-N	417.292	5.772	30	20	HKED	
C[C@@H]1[C@H](C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)[C@H]1c1ccccc1	797548877	RFMJKHAXRFAWMZ-GSGKNRHYSA-N	410.473	5.176	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	798287349	GMDHTHYDMQFUTA-PWRODBHTSA-N	414.436	5.069	30	20	HKED	
C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(C(F)(F)F)cn1	798928744	ZSFNLYPTLLLCNW-CQSZACIVSA-N	401.388	5.277	30	20	HKED	
C=CCN(C(=O)c1ccc(OC(=O)OCC)cc1)c1nc(-c2ccccc2)cs1	799858679	ZQFXVJGRJQPHCO-UHFFFAOYSA-N	408.479	5.178	30	20	HKED	
CSc1ccc2cc(CN3CCC(C#N)(c4ccccn4)CC3)c(Cl)nc2c1	800412335	WJWHVMGZOZCSNZ-UHFFFAOYSA-N	408.958	5.062	30	20	HKED	
CSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916910260	SFHMILAQCCMIDM-LJQANCHMSA-N	402.475	5.162	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	916922584	HDTBOVBUACNCFB-DLBZAZTESA-N	424.566	5.259	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cn1nc(NC2CCCCC2)sc1=S	917485031	JJTQZTQJBVCOEN-UHFFFAOYSA-N	404.605	5.073	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	918171187	TZDWXSWTDUCCHX-DEOSSOPVSA-N	415.464	5.108	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1	1821922755	ACKUSKUZAHNCPI-FXAWDEMLSA-N	414.594	5.221	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1829068271	NPFZYGSNQKEBNN-HXUWFJFHSA-N	416.631	5.282	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832489586	WYZCSGYCBDPMCN-HSZRJFAPSA-N	414.634	5.201	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1	7632549	VGYZPMZINUZGCW-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccccc2CC)cc1	10174258	VYIWUXDQEFLTOL-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1	10267033	DIIYFBAQILTWTL-SNVBAGLBSA-N	414.745	5.650	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3ccccc3n2)cc1OC	15029048	DSDMMTZKRWNJAK-UHFFFAOYSA-N	423.472	5.237	30	20	HKED	
Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c23)cc1	25785922	DXZFAHJORAUMEA-OYHNWAKOSA-N	424.595	5.202	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c12	59250153	MLGLPWCXDSPFCV-UHFFFAOYSA-N	409.921	5.396	30	20	HKED	
C=CCOc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1OC	116804027	BMYAAVUNQPUWFI-UHFFFAOYSA-N	405.416	5.084	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc(Cl)ccc1Cl	426115893	BYHLATNZSPSRPI-KGLIPLIRSA-N	422.381	5.677	30	20	HKED	
CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1	426843401	PMXDECIMXUKOOR-NRFANRHFSA-N	415.846	5.222	30	20	HKED	
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	428267274	NPGWAWWKKYUPSD-KRWDZBQOSA-N	420.896	5.391	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1-c1ccccc1	428708010	IRMIMJDQLZUFGA-GOSISDBHSA-N	418.566	5.710	30	20	HKED	
COCCN(C(=O)c1cccc(SCC#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1	429931242	WJXRXWDYMMTQKU-OAHLLOKOSA-N	422.472	5.171	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2nc(C3CC3)oc2c1	430468091	MQJFKYGNUJIKBQ-UHFFFAOYSA-N	411.486	5.980	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cccc(SCC#N)c1	430931202	VRTWYEXMIXTLIT-UHFFFAOYSA-N	404.539	5.346	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)c1ccccc1	432978206	ICXRQSJJCBHBBZ-MRXNPFEDSA-N	407.461	5.740	30	20	HKED	
CC(=O)N(c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1)c1ccccc1F	433035308	LUIUFEQAPAYVNB-NRFANRHFSA-N	422.529	5.492	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1)c1ccccc1	435766465	XZVVZPZQVVWPKD-OOEPIQFGSA-N	422.569	5.218	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	437805935	BVLNYHMHAQWMBI-NRXGSXMXSA-N	419.978	5.113	30	20	HKED	
Cc1cccc([C@@H]2CCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1C	438056187	QNWPNWHHYKRQEV-GCJKJVERSA-N	407.583	6.457	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	438836706	PSUHPOAFOYNFMQ-UHFFFAOYSA-N	411.383	5.349	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OC1CCCC1	438853196	OSJZJYBDCKEHEZ-AVRDEDQJSA-N	421.541	5.422	30	20	HKED	
Cc1c(C(=O)N[C@H](CCC#N)c2ccccc2)nnn1-c1ccc(-c2ccccc2)cc1	439672808	KVFGZMXSNVNJSV-XMMPIXPASA-N	421.504	5.018	30	20	HKED	
C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cc1nnc(-c2cccc(C#N)c2)o1	441063917	PAGFZAUGEAJJMV-NIYFSFCBSA-N	420.516	5.187	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	442070431	BISCQQPXLZKSJL-NSHDSACASA-N	420.416	5.291	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1	443937987	IQPUQGVJKNVSOV-HZPDHXFCSA-N	415.946	5.419	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccccn2)cc1	461092360	YIQIPDLEKRTGIW-KRWDZBQOSA-N	403.507	5.307	30	20	HKED	
CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1	461503196	PKOHKSNPNDIXQB-LJQANCHMSA-N	423.611	5.039	30	20	HKED	
COCCOCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	461926380	OXHSVSDPEBSWNT-UHFFFAOYSA-N	416.477	5.074	30	20	HKED	
CCc1ocnc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	464285513	VSAGORQAQWQUMR-UHFFFAOYSA-N	401.344	5.172	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466537299	WWZRBCBCVYPKQT-CQSZACIVSA-N	420.376	5.326	30	20	HKED	
N#CCCCOc1cccnc1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	466616742	GASCHHNQXZWXJS-UHFFFAOYSA-N	418.444	5.519	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)c1	470886284	OFCJSJUHHGFHLG-NBGIEHNGSA-N	423.516	5.005	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1	471252424	JTYUROUZSBRLBZ-UHFFFAOYSA-N	414.571	5.010	30	20	HKED	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1	474181710	YKZLLEAQPPVQEG-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H](C)c1sc(CC)nc1C	475261894	QUZAZTRCJWCWCP-INIZCTEOSA-N	413.587	5.024	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc1	475533775	WMSHZWIVEAIBTJ-UHFFFAOYSA-N	418.884	5.041	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1	477767724	GZWNGCYIUAFNPF-UHFFFAOYSA-N	406.555	5.029	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N	480541253	OVTZMRATNMJEEV-SXGZJXTBSA-N	417.962	5.489	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)CCN1CCCCCC1	480556195	PTKOOZZEJDGSRA-SFHVURJKSA-N	402.608	5.105	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	480884744	UXSNELOXCKSGKK-UHFFFAOYSA-N	410.445	5.872	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccn1	481376424	QEWHGBVAPSCWJO-ZDUSSCGKSA-N	424.917	5.083	30	20	HKED	
C[C@H](OCCCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	484910428	XXPYWPNSWDGDNC-IBGZPJMESA-N	400.478	5.248	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C	485261468	QCPYEBGYYJQGKG-FQEVSTJZSA-N	411.590	5.610	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1Br	486329694	ZHPWGELZUCYVND-XLIONFOSSA-N	412.331	5.370	30	20	HKED	
C[C@@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1cccc2ccccc12	486454265	YMBSWJRYNVQSBB-GOSISDBHSA-N	422.488	5.188	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1c(Cl)ccc2cccnc12	489645328	NJJYSDBHMBGXPF-UHFFFAOYSA-N	422.941	5.537	30	20	HKED	
COc1ccc(-c2noc([C@H](C)Nc3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1	489776545	VKFTWKQAWUKPJQ-INIZCTEOSA-N	412.449	5.582	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F	490984938	ALCZQIKMXHGHLR-QFIPXVFZSA-N	408.423	5.691	30	20	HKED	
Cc1nnc(SCc2cc(C#N)ccc2Br)n1[C@@H]1CCC[C@@H](C)C1	491580766	FLIVRKIUGDRUCG-MLGOLLRUSA-N	405.365	5.264	30	20	HKED	
N#CCN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2)C1CC1	495501760	GSJRRBYEYGFDFN-ICFOKQHNSA-N	413.908	5.503	30	20	HKED	
CC[C@H](OC1CCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	498093707	FHOOQIAHZCNXGO-INIZCTEOSA-N	400.466	5.387	30	20	HKED	
C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	501853837	IVFZOEVFJQOCJA-SFHVURJKSA-N	406.489	5.146	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	505722248	CKWZXECIHHTUNN-UHFFFAOYSA-N	409.489	5.540	30	20	HKED	
C[C@H](SCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	505923092	PSLXEMYWZCTPJF-APPDUMDISA-N	419.337	5.045	30	20	HKED	
CCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc(C#N)cc1	510415406	VSOGEQKXLBQCOR-UHFFFAOYSA-N	412.276	5.719	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1	510657487	JRYMCZOLYIWHLQ-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCc2cc(F)ccc21	510873981	WOTUCVCDEUYWDN-QHCPKHFHSA-N	401.441	5.607	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(Cl)s2)n1	512798247	ULIWEAJETFQFAU-UHFFFAOYSA-N	403.916	5.436	30	20	HKED	
N#Cc1ccc(Br)c(CN[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c1	513159688	MFSHGIWULHELRE-QGZVFWFLSA-N	408.221	5.195	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Cl	516464584	OXNJMQCEABTMGG-QGZVFWFLSA-N	407.695	5.016	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2)ccn1	516819865	INGJAVWSDCQQCY-IBGZPJMESA-N	412.371	5.171	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c(Cl)cccc21	518754492	OSRVUMGLEMGGST-CZUORRHYSA-N	401.919	5.380	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C	519311242	WDJFIQUJKRYEMJ-INIZCTEOSA-N	423.469	5.117	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1	519503879	PMXSISXZMDBFLN-NHCUHLMSSA-N	419.569	5.067	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2C#N)C1	521954605	VVCMXDNWECWVMI-AWEZNQCLSA-N	414.490	5.056	30	20	HKED	
O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	522688405	QSENRZZQIVEIEJ-UHFFFAOYSA-N	411.345	5.043	30	20	HKED	
Cc1ccc2[nH]c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2c1C	523978060	VLRMSBGJGWGSRY-UHFFFAOYSA-N	409.489	5.682	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CSCc1ccc(C#N)cc1	524413396	CTXBAISQAPOSMZ-IBGZPJMESA-N	416.546	5.879	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccncc3)on2)cc1Cl	524707247	FOGQOTFZJZNFKG-IBGZPJMESA-N	414.852	5.298	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1	524943583	LVAUOTTWYBOBRN-RBUKOAKNSA-N	418.415	5.034	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cnc(-c4ccncc4)s3)c2C#N)C1	525004973	LTHXBQVNHZLXNJ-AWEZNQCLSA-N	422.579	5.542	30	20	HKED	
CCC(CC)n1c(COc2ccccc2Cl)nnc1Sc1cccc(C#N)n1	535134079	KINARVQXBKKTNU-UHFFFAOYSA-N	413.934	5.289	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1	543645669	HGTMOXRGJWPJOO-RSXGOPAZSA-N	416.496	5.286	30	20	HKED	
CCCCSc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1C(F)(F)F	544852581	WNKXYJYXRVRCFI-UHFFFAOYSA-N	410.465	5.269	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc2c(c1)CCCC2	544881694	MVNHJLPYQOHRLB-QZTJIDSGSA-N	407.583	5.249	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Cc2c(F)cccc2C#N)c1	552413526	KJQLAZHLTIWSNW-NVQXNPDNSA-N	414.480	5.006	30	20	HKED	
Cc1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1C	560230761	KMBBJYOMUBJXKW-AWEZNQCLSA-N	417.321	5.322	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1OCCc2sccc21	561838384	WXWHCRBLRHZZID-IVZQSRNASA-N	420.559	5.203	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)C2	564260627	ZHDQAPJPESDBAV-HSZRJFAPSA-N	401.441	5.037	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCC(C)(C)CCC#N)cc12	584490484	VNRCIWJEODXMDF-UHFFFAOYSA-N	400.935	5.109	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CC(c4ccc(F)cc4)C3)c2)c1	590078150	HTUIQNBICLBRPT-UHFFFAOYSA-N	413.452	5.082	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc2cc(F)ccc2s1	592973944	LPAYLVYHMZKEIE-AWEZNQCLSA-N	411.458	5.112	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(OC(F)F)c1	603691365	DSSWJCKNVQHNBG-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1Br	603738811	AENLVLAHDMNRCR-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)c2C#N)C1	603819853	JEFUPOUGFLFQLN-LBPRGKRZSA-N	411.527	5.188	30	20	HKED	
Cc1ccc(Br)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	603923637	JRYRCOOVKCDSBL-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	603968901	JVDIDWYODFMJRA-LIRRHRJNSA-N	401.491	5.134	30	20	HKED	
Cc1nc2ccccc2c(C)c1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	603991815	RZCZLDDKIYDWGB-UHFFFAOYSA-N	423.541	5.732	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1	604367862	TVSVVRNRLBZKHD-UHFFFAOYSA-N	419.475	5.548	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2OC(C)C)cc1	605343336	ISIDWWZNYYSIRN-UHFFFAOYSA-N	402.882	5.079	30	20	HKED	
C=CCCCN(C)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	605916843	SNGRKLRMWGRIRZ-UHFFFAOYSA-N	419.447	5.696	30	20	HKED	
N#CCCCOc1cccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	608860141	CRWXFRKUNNUBFW-HUUCEWRRSA-N	408.386	5.368	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1	608995437	PSULANRFOVKMFW-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	609060661	JVUQHPQNFISNPX-UXHICEINSA-N	416.443	5.753	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1F	609166431	BHIBKRMZYYLMNY-UHFFFAOYSA-N	415.424	5.357	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	609188583	GAEIYHIXLPKTSC-UHFFFAOYSA-N	409.477	5.621	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccn1	609206447	JZXQFNPKSNBZKP-REWPJTCUSA-N	418.928	6.053	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)c(C)c1	609427819	OXMRVYHFNHKMIX-INIZCTEOSA-N	407.564	6.074	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1	609428579	QBYJOWCJESIUII-AWEZNQCLSA-N	411.527	5.520	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(Cl)c(Cl)c1	609463539	DJVUEPWGNMJRBT-INIZCTEOSA-N	423.097	5.232	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CC3)cn2)c1	609567388	MQDYAHCTCFGPIF-UHFFFAOYSA-N	404.857	5.210	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)Nc1c(C(C)C)cccc1C(C)C	610035550	MXSJYHGQRVJHLK-UHFFFAOYSA-N	401.514	5.011	30	20	HKED	
C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	610186998	VEFNZIOXYZFILC-IEGUWTFLSA-N	400.478	5.137	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c(Cl)c1	611092608	CTKNLXDHFKHOAD-UHFFFAOYSA-N	407.260	5.456	30	20	HKED	
N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccc(Cl)cc1	611251970	ZSKDZPBUBBYNFD-SFHVURJKSA-N	415.902	5.278	30	20	HKED	
Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2cc(F)ccc12	672770702	GDCVRKQMLUDKRZ-UWVGGRQHSA-N	413.358	5.552	30	20	HKED	
C[C@H](CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	676873196	WNSZRGOGJGOVOY-GMTAPVOTSA-N	417.340	5.484	30	20	HKED	
CC(=O)Nc1cccc(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)c1	725827201	NUNAMYGVFQRJAY-UHFFFAOYSA-N	415.522	5.461	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)NCc1cccc(C(F)(F)F)c1	726443951	DSBNLOUPJBGVJR-UHFFFAOYSA-N	404.910	5.483	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726482872	NTMXATGVGVPOLB-UHFFFAOYSA-N	421.953	5.619	30	20	HKED	
COc1ccc2c(c1)CCCC2=NOCc1nnc(-c2c(Cl)cccc2Cl)o1	726597103	RWANIEQMWDJNKM-UHFFFAOYSA-N	418.280	5.309	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccc(O)cc3)n2)cc1	728602724	OVOYPPQIZCVROG-OAQYLSRUSA-N	411.486	5.423	30	20	HKED	
Cc1cc(C(=O)Nc2cccnc2Oc2ccccc2)c(C)n1-c1ccc(C#N)cc1	729315677	DEWBOWPZIXVUDY-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
COc1cc(OC)cc(Oc2ccc(CN[C@@H](C)c3ccc(OCC#N)cc3)cc2)c1	729685810	IIDSTVCUPZTVIZ-SFHVURJKSA-N	418.493	5.249	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)c1	730418291	UQKUGLNACMLZLO-INIZCTEOSA-N	407.495	5.286	30	20	HKED	
Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(F)cc3)o2)c1	730565573	PUCNWQUVMHAWJB-UHFFFAOYSA-N	422.485	5.044	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	730989158	HZDGJWFNIWMCFZ-LUJNMSEFSA-N	408.523	5.164	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CC1CCC(c2ccccc2)CC1	731136656	TYEMVSRKXREHNO-MNLRITNHSA-N	404.510	5.097	30	20	HKED	
C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc2ccccc2s1	734109721	DPAGNJNWULJMMF-INIZCTEOSA-N	413.502	5.238	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(F)c1	734964498	AZPUWOHPWPURGG-NHYWBVRUSA-N	406.404	5.824	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)/C=C/c1ccc2ccc(Cl)cc2n1	735341064	FWOQNSCRYWOFEZ-SOFGYWHQSA-N	413.260	5.201	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cc(F)ccc3Br)c2)s1	739590537	KGFJCAUFRMOTRF-UHFFFAOYSA-N	415.287	5.118	30	20	HKED	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	742537127	GZLTWZCPGJJWKJ-VXKWHMMOSA-N	419.525	5.070	30	20	HKED	
Oc1c(Br)cc(Br)cc1C=Nc1ccc(-c2cnc[nH]2)cc1	743334489	ZBGICEGZIADRIQ-UHFFFAOYSA-N	421.092	5.058	30	20	HKED	
Sc1nnc([C@H]2CCCCO2)n1N=Cc1c2ccccc2c(Cl)c2ccccc12	743452374	PUIDWKTYLLLNNB-LJQANCHMSA-N	422.941	5.650	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cnc(C(C)(C)C)s2)cc1	744027768	CQPMTVOEYVRNTL-SYGIOELKSA-N	409.555	5.144	30	20	HKED	
CCCCOc1ccc(C=NOCc2csc(-c3ccc(C)o3)n2)cc1OC	744180070	KMQSMMSIMPHJEJ-UHFFFAOYSA-N	400.500	5.450	30	20	HKED	
C=CCN(C(=O)/C=C\c1cnn(C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	747544700	WPJBZGMCBRKFQX-DAXSKMNVSA-N	419.337	5.083	30	20	HKED	
N#C[C@@H](COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)Cc1ccccc1	750785569	ZYWWAXWDBIPXQI-INIZCTEOSA-N	424.909	5.193	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1F	751351665	NWTAUOWBPZVBBB-NRFANRHFSA-N	416.452	5.091	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1F	752478186	ZTFFXHOSMLAYPA-HZMBPMFUSA-N	411.235	5.113	30	20	HKED	
Cc1oc2c(CN(C[C@H](C)C#N)C3CC3)c(O)ccc2c(=O)c1-c1ccccc1Cl	753989051	XEMYETKITDQZOW-CQSZACIVSA-N	422.912	5.252	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccccc4C#N)nc(O)c23)s1	755580914	IVFLTNXLFZCNBR-OVCLIPMQSA-N	409.923	6.042	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	757887230	TZMXTGDJAWKAIV-AYWVHJORSA-N	416.546	5.022	30	20	HKED	
C#CCCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1	757926129	XALZJZROVDGBLR-KRWDZBQOSA-N	422.472	5.144	30	20	HKED	
CC(C)c1ccc([C@H]2CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	759334185	UIANZMYBLSPFTN-FYYLOGMGSA-N	410.521	5.184	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2c[nH]c3ncccc23)cs1	761810227	QZPZNDBEWLAIGW-TWGQIWQCSA-N	422.897	5.254	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1F	764606013	NXTVRHATKJJPBO-QWRGUYRKSA-N	404.388	5.346	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771097555	JRRPUHZNLLPOLY-FYJQUHEMSA-N	418.468	5.127	30	20	HKED	
N#C[C@@H](C(=O)CCCC(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1	771261901	SCGMORMLTBCTJR-NSHDSACASA-N	407.244	6.026	30	20	HKED	
O=C(/C=C/c1nc2ccc(Br)cc2s1)c1c(Cl)nc2sccn12	773140555	SVHXVUBODWRTSV-ONEGZZNKSA-N	424.732	5.318	30	20	HKED	
N#CCCCn1cc(C(=O)Oc2ccc(Oc3nccs3)cc2)c2ccccc21	774132962	VRTUEXBXSDKHPV-UHFFFAOYSA-N	403.463	5.413	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1	776164803	URVZMQDIJGMARG-MSOLQXFVSA-N	409.530	5.025	30	20	HKED	
C#CC[C@H](OC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccccn1	777312617	AVHAWSJHNOGOFW-FQEVSTJZSA-N	416.506	5.057	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Br)c1Cl)c1c(Cl)cccc1Cl	780024189	RCIKSSVDPFRPPC-GFCCVEGCSA-N	418.505	5.404	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	780169354	JFVBKYFXMYOUTD-SFHVURJKSA-N	408.461	5.082	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1	780671319	UGBXWYXTXMBNGD-OYHNWAKOSA-N	423.875	5.681	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	786907319	JDYRTGVMCIPZQO-RTBURBONSA-N	410.521	5.167	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	791140866	HAKHLDDNZHVOBC-UHFFFAOYSA-N	408.841	5.361	30	20	HKED	
O=C1/C(=C/c2ccccc2OCc2cccnc2)CCc2nn(-c3ccccc3)cc21	794955337	WFPDTJYCPOKXEB-RCCKNPSSSA-N	407.473	5.059	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(=C\c1ccc(F)cc1)c1cccs1	804459739	CMZLLWCOFYZADE-MTJSOVHGSA-N	411.498	5.118	30	20	HKED	
CN(C)C(=O)Sc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1Cl	805434921	FTTMLBZUURSQNI-OAHLLOKOSA-N	401.919	5.140	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2CCCC2)cc1	810529333	DOMWYJSMFFQLPW-LJQANCHMSA-N	414.477	5.620	30	20	HKED	
CCc1nc2ccc(Cl)cn2c1C(=O)[C@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1	813059785	HUNWWJWWXPPKGU-KSSFIOAISA-N	422.916	5.025	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2sc3c(Cl)cccc3c2C)ccc1OC	815126795	REBIGIGPIMNCDB-MRXNPFEDSA-N	414.958	5.843	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	817324352	ARHLMFRVCCZQKZ-NRFANRHFSA-N	407.514	5.127	30	20	HKED	
Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc(Cl)s1	839410944	IEQKPFIARWQJRK-UHFFFAOYSA-N	419.746	5.050	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C3\CCOc4ccc(F)cc4C3=O)c2)cc1	861416656	VXNBFCYIODPHKX-QGOAFFKASA-N	417.436	5.135	30	20	HKED	
CN(CCC#N)c1ccc(CNc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc1	864042492	OJIYHVNRQYGPLH-XZOQPEGZSA-N	420.557	5.029	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(-n2cccn2)cc1	878902513	WVZCPCGGWOWNKL-SDNWHVSQSA-N	417.472	5.016	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915179748	HZJYNHIUNVRKKP-HXUWFJFHSA-N	416.550	5.538	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	915351512	DLWTWLLXVNUIEO-AOMKIAJQSA-N	423.438	6.244	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915351745	BYBAQRSRVAARIJ-XDHUDOTRSA-N	412.493	5.183	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc(Br)c1O	916137696	LHLMVRSXXVTEOL-BAQGIRSFSA-N	413.214	5.051	30	20	HKED	
CC(C)c1ccc(Nc2nnc(SCC(=O)[C@@H](C#N)c3ccccc3)s2)cc1	916623041	YPKAWZMGPKJIAY-SFHVURJKSA-N	408.552	5.374	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1	916912441	ZHGRYAYHKBSEKX-HXUWFJFHSA-N	418.880	5.412	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	917143990	URFBGGYRJGYLTC-ZHACJKMWSA-N	413.458	5.676	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2cccs2)cc1F	917542831	UCPOANBLAYZQCP-UHFFFAOYSA-N	424.526	5.382	30	20	HKED	
COc1ccccc1[C@H](C/N=C/c1c(O)ccc2ccccc12)NC(=O)OC(C)(C)C	917559130	HFVCDHMHYRLHBC-YYHBXHNPSA-N	420.509	5.239	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1	918641805	IDELHFLSHKAMQZ-OAHLLOKOSA-N	409.338	5.205	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(SC(F)(F)F)cc1	920102148	QPCWGAQTINFBHW-HNNXBMFYSA-N	402.397	5.294	30	20	HKED	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140767	JNIVPHCIDLZEFB-DCSJCSGWSA-N	421.566	5.335	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc1-c1ccccc1	1544427577	YTYLULBVDSCLEJ-UHFFFAOYSA-N	422.444	5.074	30	20	HKED	
Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)Nc2cccc(CC#N)c2)c(O)n1	1556644332	KPKUBPPVLRPJLE-UHFFFAOYSA-N	412.493	5.036	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1	11263882	SBECHBORCDVOAM-UHFFFAOYSA-O	417.598	6.074	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c2C2CC2)cc1Cl	26131344	TXNMGXNGYNHNPZ-OAHLLOKOSA-N	404.901	5.074	30	20	HKED	
N#Cc1c(NC(=O)COC(c2ccccc2)c2ccccc2)sc2c1CCCC2	58980765	RKFZBPVEZJCOJT-UHFFFAOYSA-N	402.519	5.243	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	64754852	GQFPSTJMAHTMES-MRXNPFEDSA-N	424.035	5.073	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCOc1ccccc1-c1ccccc1	78668691	YYDHDVCLJXUMCQ-UHFFFAOYSA-N	402.519	5.767	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c1	78773150	VSQMODNMAWUHEF-UHFFFAOYSA-N	423.340	5.365	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	247931994	SESJXFZMUOOIAQ-UHFFFAOYSA-N	417.248	5.067	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c(C)nc2c1	303232814	YJFQBLZILFCRCJ-UHFFFAOYSA-N	423.472	5.255	30	20	HKED	
Cc1sc2nc([C@@H](C)Nc3cccc(Oc4ccc(C#N)cc4)c3)nc(O)c2c1C	303282114	MLIUUTRLMKHPTE-CQSZACIVSA-N	416.506	5.851	30	20	HKED	
CC(C)(C#N)CCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	410314968	FZXDOOLEJOHGLY-UHFFFAOYSA-N	422.268	5.473	30	20	HKED	
C=CC[C@@H](C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1	426633508	GYXSZSYEWHTKQN-JOCHJYFZSA-N	416.487	5.146	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(COc3ccccc3)cc2)c1-c1ccccc1	429081154	PEJVPNSGBAEEMM-UHFFFAOYSA-N	422.488	5.295	30	20	HKED	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	435611603	SQUNNEIXBADVQS-JOCHJYFZSA-N	415.493	5.156	30	20	HKED	
CCN(C(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1)[C@H](C)c1ccc(C#N)cc1	436140468	IZTNPSPDGUOJAG-GOSISDBHSA-N	412.489	5.021	30	20	HKED	
COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	437612157	IDTCEXKQYKCJFP-SFHVURJKSA-N	415.493	5.358	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)cc1	439639418	BBEUFJSYHPQZPT-SFHVURJKSA-N	421.478	5.340	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1	440260198	YHXSDNMZYCHYJF-VWLOTQADSA-N	413.521	5.452	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1N[C@H]1CCO[C@@H](c2ccccc2)C1	440681629	UGVVQFAEXNZWFS-QFBILLFUSA-N	408.299	5.201	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccc(C(F)(F)F)cc1	442271956	JJGMHTDDGJCJNB-FUHWJXTLSA-N	406.452	5.025	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2nc(-c3ccc(Cl)cc3)[nH]c2CC)cc1	444093725	BEBYQLONJVDAOL-UHFFFAOYSA-N	422.916	5.252	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3coc4ccccc34)no2)nnc1-c1ccco1	445573592	WOTRDYOXNCUGQV-UHFFFAOYSA-N	419.466	5.203	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)cc1	464955475	UUNTXAXIMKTYPZ-CLJLJLNGSA-N	421.500	5.049	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)n1	470271786	WXUXEPMVSXCWDP-UNMCSNQZSA-N	400.482	5.262	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](c1ccccc1)C1CCCC1	476365619	OSQCGZHMUGILNP-UUOWRZLLSA-N	407.583	5.398	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1	477089056	NITDUYCTIODOFK-NSHDSACASA-N	409.736	5.607	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	477089201	LIYVEMKDMCZISM-UHFFFAOYSA-N	415.925	5.499	30	20	HKED	
Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	477571935	SQRRLONEDMOHBF-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ncoc1-c1ccccc1	478573831	QXCIZCNVWJVMBW-UHFFFAOYSA-N	424.460	5.636	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	480942825	RCLXNSVSONEFPO-LBPRGKRZSA-N	423.366	5.301	30	20	HKED	
Cc1sc(NC(=O)c2c(F)c(F)cc(F)c2F)nc1-c1c(F)cc(F)cc1F	481446977	BOYUYNRYTZNNMM-UHFFFAOYSA-N	420.309	5.345	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nccc4ccccc34)c2C(F)(F)F)cc1	483235367	SVYQXPNEQQAYQW-GOSISDBHSA-N	420.394	5.238	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C	486893369	ASABDPHFNUERFZ-UHFFFAOYSA-N	419.485	5.124	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(Cl)c3cccnc23)nnc1-c1ccncc1	489446997	JJQAASFIBLCTJK-UHFFFAOYSA-N	407.930	5.410	30	20	HKED	
COc1ccc(-c2noc([C@@H](C)Nc3ccc(Oc4ccccc4C#N)cc3)n2)cc1	489742091	IQFVVMUJXILEHV-MRXNPFEDSA-N	412.449	5.582	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc4c(F)cccc4n3CC)o2)cc1	489749343	XBEFOAPAVRMAEQ-UHFFFAOYSA-N	410.474	5.102	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1-c1ccccc1	489899619	RPPMFPSVEHCHKT-KRWDZBQOSA-N	404.539	5.635	30	20	HKED	
C=C(C)CN1CCC(N[C@H](c2ccc(OC)c(OC)c2)c2ccccc2Cl)CC1	491042723	XIEQGAGOVLTZLV-XMMPIXPASA-N	414.977	5.077	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H](c2ccccc2)c2ncc[nH]2)cc1	492444836	LXASLNLHALWDBX-DEOSSOPVSA-N	422.488	5.244	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1	494050735	RNQLAGBHFNZLJV-LMNJBCLMSA-N	409.555	5.198	30	20	HKED	
N#C[C@H](NC(=O)CCc1cccc(Br)c1)c1c(Cl)cccc1Cl	499837369	WRAJJESHKVCELA-HNNXBMFYSA-N	412.114	5.070	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)C1CCCCC1	506530025	FKTUOWJUHBMLLX-KBXCAEBGSA-N	417.962	5.205	30	20	HKED	
COc1cccc(Oc2ccc(CNC3CCC(C#N)(c4ccccc4)CC3)cn2)c1	507623416	YWIGVMBSKVSNSI-UHFFFAOYSA-N	413.521	5.376	30	20	HKED	
CN(CCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510004182	DDUQBZAOCJEYHK-JOCHJYFZSA-N	403.913	5.702	30	20	HKED	
C/C=C\c1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	510579134	KHFRFAKCWAXJBA-DJWKRKHSSA-N	415.424	5.100	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1	510676312	XIDBZHHODDGTFW-QFIPXVFZSA-N	401.441	5.859	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	512394005	YAYJGBXLHSLJJN-UHFFFAOYSA-N	406.301	5.237	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc2ccccc2s1	513665497	FHWYXFYJDWHKBI-IBGZPJMESA-N	400.528	6.079	30	20	HKED	
N#CCCSc1ccccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3	518120546	PTEXEOUFXMTJFX-UHFFFAOYSA-N	406.507	5.335	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(N2CCCCC2)CCCCC1	518753515	QKMFUNBZLKYOMZ-IBGZPJMESA-N	414.619	5.391	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(OC(F)F)cc1	520939123	KYROXZBJXVINND-CQSZACIVSA-N	405.470	5.046	30	20	HKED	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnc2ccccc2c1C(F)(F)F	521410318	XWXDPHSSTLHYBP-UHFFFAOYSA-N	402.269	5.664	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1Cl	521473408	AZIHXUQJBFBKTQ-OAQYLSRUSA-N	402.881	5.597	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C	522466043	XHXYLMVQRYPBPZ-RUZDIDTESA-N	424.548	5.103	30	20	HKED	
Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C	532972645	UBAPYHJOHNJASF-PGRDOPGGSA-N	407.583	5.473	30	20	HKED	
C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)c1ccccc1C(F)(F)F	539508287	LJIQWTTYDKYOSQ-ROUUACIJSA-N	415.503	5.323	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)N2CCC(CC#N)CC2)cc1	541979303	RNNQYSSILSSIBM-UHFFFAOYSA-N	415.562	5.480	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	542979918	VGXDQOMSXOKAMY-KBMIEXCESA-N	408.505	5.631	30	20	HKED	
CCO[C@@H](c1ccc(C)cc1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1	545116811	DIIOTVKACDSCCH-XWDDPXMASA-N	412.493	5.543	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1scnc1C1CCCC1	546065029	ODCPHYKMSNWBBS-UHFFFAOYSA-N	404.495	5.420	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(-c2nc(C)no2)ccc1C	547836532	WJPLTSMPWDKLNZ-UHFFFAOYSA-N	402.907	5.288	30	20	HKED	
Cc1cccc(Oc2ccccc2NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1	548870553	UWCJPJFCUWGIDO-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)N2CCC(C#N)(c3ccccn3)CC2)o1	554575504	YSSAJNVOSUHDJC-UHFFFAOYSA-N	420.900	5.393	30	20	HKED	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(C)(C)CCC#N)cc1	554661103	VSKJOODLTRUIOO-UHFFFAOYSA-N	404.489	5.047	30	20	HKED	
N#Cc1c(NC(=O)C2CCC(OC(F)F)CC2)sc2c1-c1ccccc1CC2	561380428	CQLWFGBWTZOBFV-UHFFFAOYSA-N	402.466	5.122	30	20	HKED	
C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	564688235	CHZCLUBALLWDBL-GOSISDBHSA-N	405.502	5.221	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1	565389946	HULKUVIOEIWKKA-BPXKWBHBSA-N	424.495	5.185	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1OC	602748244	GFEROICRYLRIBD-UHFFFAOYSA-N	407.495	5.122	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CSc1nc(C)nc2sc(C)c(C)c12	603519882	JFFTXJXJBVYMBS-UHFFFAOYSA-N	424.595	5.019	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3csc(-c4cccs4)n3)cn2)c1	603624186	VFQQJSGHZOLWTE-UHFFFAOYSA-N	404.476	5.183	30	20	HKED	
COc1cccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	604085020	UJCKFPRTGYOGRW-SFHVURJKSA-N	415.493	5.223	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)s2)cc1	605363091	IMOLPDVDCNYGID-KRWDZBQOSA-N	416.506	5.192	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(C(C)(C)C)n2)cc1	608848069	VLJZBOFBWLRDLT-UHFFFAOYSA-N	421.522	5.294	30	20	HKED	
Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	609083062	OICATNDXCGBSPP-UHFFFAOYSA-N	422.435	5.271	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1Cl	609164753	UZWZGNIDJOGOCY-KRWDZBQOSA-N	403.825	5.496	30	20	HKED	
N#CCn1c(C(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)cc2ccccc21	609215584	DZERIAUDNHTDKQ-UHFFFAOYSA-N	413.521	5.369	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)CCc2ccc(Cl)c(Cl)c2)CC1	609508817	AVRMFMKNNHGDOY-UHFFFAOYSA-N	417.336	5.304	30	20	HKED	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609723248	WVDUHUUBSTVHHS-UHFFFAOYSA-N	421.840	5.184	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3OC3CCC3)c2)cc1	609815135	OMAHFDMFHWBEIU-UHFFFAOYSA-N	412.489	5.515	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	610014607	FUDWZHCLFNAUSW-NVXWUHKLSA-N	417.431	5.218	30	20	HKED	
O=[N+]([O-])c1ccc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	610468418	QHVXEYLJAGSGCB-OCAPTIKFSA-N	410.236	5.181	30	20	HKED	
N#Cc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)c(Br)c1	611491456	OWMDXZCZMLQNDT-UHFFFAOYSA-N	411.328	5.071	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3cccnc3Oc3ccccc3)no2)cc1	614970085	USCOYNPLBPFLJW-OAQYLSRUSA-N	409.449	5.137	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618539136	HEHQMTHJDYHDGM-NXEZZACHSA-N	408.264	5.300	30	20	HKED	
Cc1ccccc1-n1c(S[C@H](C#N)c2ccc(Cl)cc2)nnc1-c1cccnc1	619863981	KJXUSGPEVIZERR-HXUWFJFHSA-N	417.925	5.648	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	684695766	GQPWSVCYWSUGRY-RKDXNWHRSA-N	420.300	5.502	30	20	HKED	
CC(C)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	727059692	UWRBPAHUJBTVLY-UHFFFAOYSA-N	421.353	5.458	30	20	HKED	
Clc1cc(CON=Cc2cccc(OCc3ccncc3)c2)cc2c1OCCCO2	727434206	IXLHFARXQYFJKV-UHFFFAOYSA-N	424.884	5.026	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3scnc3Cl)cc2Cl)c1	727999182	IIXXYWXOZCVKEM-UHFFFAOYSA-N	404.278	5.153	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C	728297189	BUFFZHLXBUBUOY-SFHVURJKSA-N	417.484	5.332	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccc(Cl)cc2[nH]1	732520759	HYOGCVZOHJPVPZ-CYBMUJFWSA-N	418.840	5.193	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2SC(F)(F)F)c1	733843935	PKXDNVQTNDJQML-CQSZACIVSA-N	409.433	5.301	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)s4)n3)[nH]c12	735789186	KONOGCIQQUVMDA-GFCCVEGCSA-N	412.927	5.129	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)c1	740917384	OIDDVQWFKLYSHS-XXBNENTESA-N	405.542	5.440	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cc1	742185839	VJETXGGIQDQALC-UHFFFAOYSA-N	414.387	5.077	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc(Cl)c1OC	747122493	NUOBKWSMYXCWAO-FPYGCLRLSA-N	412.825	5.212	30	20	HKED	
CC(C)c1ccc([C@@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C(C)C)cc1	747619722	QPHIZZBYWPWBSL-BWKNWUBXSA-N	412.537	5.334	30	20	HKED	
COc1cc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cc(OC)c1OC	750917770	WXLMLXOYIUEKCG-RIYZIHGNSA-N	406.450	5.240	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(-c3ccncc3)cc2F)cc1Cn1cccn1	751536486	VFDJLDUWULOMIN-ALCCZGGFSA-N	413.452	5.037	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1cc(Cl)ccc1OCC#N	754748434	JXOUTLWTXZXVNU-ZDUSSCGKSA-N	415.921	5.664	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCc3cc(Cl)ccc3OCC#N)s2)cc1	754776362	YUMVVGYIFWHRPQ-OAHLLOKOSA-N	411.958	5.834	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc(F)ccc2F)cs1	757476778	ZVZVJKBKPFVTTE-WEVVVXLNSA-N	402.397	5.141	30	20	HKED	
C[C@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)c2cc(C(F)(F)F)ccc2S1	760385163	BFZYWVDSMSQIEK-AWEZNQCLSA-N	420.456	5.068	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(-c2ccoc2)c1	760967145	ZCKRUFIHQJPKIB-SFHVURJKSA-N	412.417	5.222	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c1	764050919	GAPRARKXVWIVBU-UHFFFAOYSA-N	416.308	5.607	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](c2ccccn2)c2ccccc2OC)cc1	773114668	CWSQZTAQMANITE-HOYKHHGWSA-N	408.929	5.662	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2nc3ccc(Br)cc3s2)c1	774992327	OTKJNJULCYTLCP-HNNXBMFYSA-N	416.344	5.030	30	20	HKED	
COc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2OC)cc1	776172499	YVDBAWGOGPNJLX-IQGLISFBSA-N	402.494	5.046	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Cc3ccccc3CC#N)s2)cc1	776949167	UNVLGGFWSLVNKW-SFHVURJKSA-N	403.551	5.255	30	20	HKED	
CCOc1c(Cl)cccc1C=Nn1cnnc1SCc1ccc(Cl)cc1	782177011	LIMICQJTWXLICK-UHFFFAOYSA-N	407.326	5.158	30	20	HKED	
CO[C@@H](C)c1nc(COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cs1	783623947	HRRKOQXOMLSZIA-HNNXBMFYSA-N	408.479	5.066	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1	784611323	DVRSGRBMNOXHTB-MRXNPFEDSA-N	418.368	5.038	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc2sccc2s1)c1ccc(Cl)cc1Cl	787049186	KEVJWIGBYMZOBE-CABZTGNLSA-N	423.346	5.469	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1	798020192	XGCOTSGTTXHHHU-QRTARXTBSA-N	403.404	5.064	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1	802042983	NKHQXXQLKAOYGW-HTAPYJJXSA-N	418.537	5.101	30	20	HKED	
C#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1F	804421773	SSLOTXNUYHOEMI-GOSISDBHSA-N	417.267	5.211	30	20	HKED	
CC1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCN(Cc2ccccc2)CC1	805860130	ZLBLUAFOZLLKFW-GOSISDBHSA-N	423.969	5.428	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	808816315	OBPGAAXQOZFKKO-GOTSBHOMSA-N	419.912	5.505	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@H](C#N)c2nc3ccccc3o2)cs1	810536855	VDGIJBXRACNWNQ-INIZCTEOSA-N	419.481	5.553	30	20	HKED	
N#CCOc1ccc(CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)cc1	814770797	GMNBMVUQBREQMV-ODLFYWEKSA-N	422.556	5.707	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1c(C=O)ccc2ccccc12	814780368	PXXRAKJGCKKYGC-INIZCTEOSA-N	404.491	5.064	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C4SCCS4)cc3)n2)cc1	915102424	YIUXMSOCGQYDBK-SFHVURJKSA-N	422.600	6.087	30	20	HKED	
Cc1ccc(C2=CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1	915326426	AAESKXQLRPCYLB-UHFFFAOYSA-N	414.534	5.235	30	20	HKED	
CC(C)[C@@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1Cl	915383236	SXLUVJLWEUJMOP-HXUWFJFHSA-N	419.308	5.004	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(C(C)(C)C)cc3)c(=O)c2c1-c1ccccc1	916283651	MCRKYWWOIUNVSJ-UHFFFAOYSA-N	401.535	5.613	30	20	HKED	
Cn1c([C@H](C#N)C(=O)CSc2cccc3cccc(Cl)c23)nc2ccccc21	916627059	RIPZDDHHOKLSQR-OAHLLOKOSA-N	405.910	5.348	30	20	HKED	
N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	916884835	IAVAHOMUJQGCEA-KRWDZBQOSA-N	407.322	5.213	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2cccc3ncccc23)cs1	917549256	YYPFFTGYQUGRMV-UHFFFAOYSA-N	421.913	5.475	30	20	HKED	
Cc1c(O)nc2ccccc2c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	1464275181	UVDAPELVJIGYMW-UHFFFAOYSA-N	423.472	5.146	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CCC1	1788913883	NUYAXPRQPKOFEQ-UHFFFAOYSA-N	423.463	5.127	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)C1	1823701306	GXSKDTZSGZAHEH-RUZDIDTESA-N	422.613	5.085	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1	1832607165	FETSGHGQRBWPJC-AVRDEDQJSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1ccccc1OC	6076757	HBXVEXNGWSRDSJ-UHFFFAOYSA-N	423.538	5.033	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)cc2)cc1	10173342	QNCQQUKXHHUQJA-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1	25931115	SKOLPQMVENVKPG-UHFFFAOYSA-N	416.808	5.096	30	20	HKED	
C=CCn1c(S[C@@H]2CCCCCC2=O)nc2scc(-c3cccs3)c2c1=O	29284392	SADOCLHHPMDPGA-MRXNPFEDSA-N	416.593	5.366	30	20	HKED	
CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1	48823536	MJEVZPNMSXVPRF-HNNXBMFYSA-N	417.515	5.124	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc2ccccc2n1C(F)F	51656010	XXNMENDIXWFVTJ-GFCCVEGCSA-N	412.783	5.230	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccccc1OC(F)F	60036188	ZQJAEKIJKSBACE-HNNXBMFYSA-N	423.419	5.391	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1cccnc1Oc1ccc(Br)cc1	63962125	XJVSLRDKYQIFNZ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N	110141642	QYSWHHVUFLTXFM-UHFFFAOYSA-N	422.513	5.727	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1	111020706	WXTWCGRCALSLDP-UHFFFAOYSA-N	417.490	5.515	30	20	HKED	
Cc1ccc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1[N+](=O)[O-]	237453252	CCTRCGMKERDAGM-GOSISDBHSA-N	401.466	5.205	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CC)c1cccs1	409535401	NWZDBQHQQFXDJP-INIZCTEOSA-N	411.340	5.499	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	432942920	JAUCRQHZWAIMEK-QGZVFWFLSA-N	421.488	6.206	30	20	HKED	
CC(C)(c1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1)C(F)(F)F	433827561	ASIRJMVQAIYXHP-UHFFFAOYSA-N	421.303	5.483	30	20	HKED	
CN(C(=O)Cc1csc(-c2ccccc2Cl)n1)c1cc(Cl)ccc1C#N	435991751	BQJVQITZEGUSLQ-UHFFFAOYSA-N	402.306	5.194	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC(Cc4ccc(F)c(F)c4)C3)cc2)cc1	443669712	AGALTEAOPSAVNY-UHFFFAOYSA-N	418.443	5.138	30	20	HKED	
C=CCN(C(=O)c1cc2c(Br)cccc2[nH]1)c1nc2c(s1)CCCC2	444448177	BNGBZWNEPCSPPQ-UHFFFAOYSA-N	416.344	5.099	30	20	HKED	
COCCc1cc(O)ccc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	445234676	COEQWOTZNUUQKC-UHFFFAOYSA-N	417.465	5.198	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)c(F)c1	446039577	OPSAXVQHJDJQED-UHFFFAOYSA-N	422.325	5.465	30	20	HKED	
COc1cccc(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	460149305	IIXCYJBDXFHTHS-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	460474984	HSEHSQNIFJDBKF-INIZCTEOSA-N	404.441	5.184	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	461911842	GVWKUECYRLVEAP-UHFFFAOYSA-N	417.412	5.173	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	463745792	MBZISIFNRVYHIH-ZDUSSCGKSA-N	406.349	5.336	30	20	HKED	
COc1ccc(-c2nc(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)c(OC)c1	464810142	DKVJZOFXPAXDBO-FGZHOGPDSA-N	419.550	5.099	30	20	HKED	
Cc1cc([C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccccc2Cl)ccc1F	466108920	XOYWTDVEJVYCNO-QHCPKHFHSA-N	421.903	5.590	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1F	466653040	CNDVIBUZVCMZGJ-ACJLOTCBSA-N	420.257	5.031	30	20	HKED	
N#C[C@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccc(OCc2ccccc2)cc1	468324219	SXQCNAIHGCDDIB-QFIPXVFZSA-N	406.432	5.127	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	468330049	URLUYRZOBUYSSS-HXUWFJFHSA-N	404.558	5.688	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)CC3	468873727	GANLXIVVZZDUEI-HXUWFJFHSA-N	412.537	5.029	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1)c1ccccc1	472504289	RVDGSVCVBUIOHU-MGPUTAFESA-N	410.395	5.730	30	20	HKED	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccccc1C#Cc1ccccc1	473634885	AHKSDJQZRHHDMK-WWOZWPLTSA-N	416.546	5.049	30	20	HKED	
Cc1ccc(Sc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)cc1C	473693650	WEFANDWHIKVNLV-UHFFFAOYSA-N	416.550	5.797	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1	475554004	LPHOMCGFKGRQKV-NRFANRHFSA-N	411.634	6.047	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)cc2OC)nnc1-c1ccccc1OC	475959893	RKEPWDYSRWOQIH-UHFFFAOYSA-N	401.919	5.094	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(SCc2nc(-c3ccccc3Cl)cs2)n1	479206944	PZVZPXNPSBEQIZ-UHFFFAOYSA-N	415.927	5.199	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccccc2C#N)cc1	479692442	PKLMYSLPSTWZKD-UHFFFAOYSA-N	409.489	5.311	30	20	HKED	
C=C(C)[C@@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccc(F)c(F)c1	481575443	IETZPKJEJAZIDK-QGZVFWFLSA-N	418.793	5.483	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2c(F)cc(F)cc2C1	482916265	CYGNXRUWCYZFDR-UHFFFAOYSA-N	419.431	5.527	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](c1ccco1)c1ccccc1OC)c1ccc(F)c(F)c1	483192954	HHWMALKECNMTQC-VXKWHMMOSA-N	412.436	5.272	30	20	HKED	
C[C@H]1CCSCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	483855939	RRUVEAOMZBSOHX-AWEZNQCLSA-N	401.919	5.363	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1	486259641	QHCRKVBXHADUDH-QGZVFWFLSA-N	419.912	5.868	30	20	HKED	
CC(=O)N(c1nc(COc2cc(Cl)cc(C#N)c2)cs1)c1ccccc1F	487370076	IWZNOBJIGXLADG-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	488162516	CZGKMBPEVXCJFT-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ncc(-c4cccc(F)c4)o3)o2)cc1	489790729	XIUVCMFQMARXSW-UHFFFAOYSA-N	409.442	5.388	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl	490505878	SBYMKDVMVHUTRF-OAHLLOKOSA-N	423.925	5.002	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	491398792	YJSOUJWJAIIJGR-UHFFFAOYSA-N	421.447	5.184	30	20	HKED	
Cc1nnc(SCc2cc(C#N)ccc2Br)n1[C@H]1CCC[C@H](C)C1	491580765	FLIVRKIUGDRUCG-LRDDRELGSA-N	405.365	5.264	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccccc1Sc1ccccc1	495431155	AUOKPBWJSQJPKO-UHFFFAOYSA-N	422.550	5.211	30	20	HKED	
N#Cc1ccsc1C(=O)N(Cc1cccs1)c1ccc(Br)cc1	497994906	TZQWRKCEFSWRQF-UHFFFAOYSA-N	403.326	5.291	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	499807952	CFEGAVVDEZRGBF-QGZVFWFLSA-N	402.306	5.420	30	20	HKED	
N#CC1(NC(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)CCC1	501891489	DSYCUTBMZOFLPD-UHFFFAOYSA-N	417.321	5.084	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc2ccc(Cl)cc12	503011852	HHUJFKSYBPJSTO-CYBMUJFWSA-N	400.956	6.130	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)ccc21	503905306	YTWSZZQYQYMCEO-UHFFFAOYSA-N	408.433	5.363	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1	505309414	CDKBCTGEANJRSW-ZWKOTPCHSA-N	423.586	5.025	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc2nc(C(F)F)sc2c1	507227105	CSZAKOIMZNPBCM-LBPRGKRZSA-N	407.511	5.311	30	20	HKED	
C=CCn1c(C(C)C)nnc1N1CCC(c2nc(-c3ccccc3OC)cs2)CC1	508906127	DEPRASZRCNQDOL-UHFFFAOYSA-N	423.586	5.104	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](c2ccccc2OC)C1	508909271	YPXVXHNYMZLKMP-LJQANCHMSA-N	420.582	5.067	30	20	HKED	
C[C@@H]1c2cccc(Br)c2CCN1C(=O)N[C@@H](CCC#N)c1ccccc1	509213367	UWJVFCKUEUFXGF-QRWLVFNGSA-N	412.331	5.123	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	509930936	QXGRTADYYHEBQL-OAHLLOKOSA-N	424.888	5.197	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1)c1ccc(F)c(F)c1	511869458	XJJRQWCYEGLOFT-DLBZAZTESA-N	402.407	5.346	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2o1	511914021	IANTULVCUKPXJS-ZDUSSCGKSA-N	424.243	5.812	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCSCc1ccccn1	513292439	RMNXPPJMIVWPEE-UHFFFAOYSA-N	419.525	5.258	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](c2ccccc2)c2ccco2)c1	513505919	LNKUKHWAPUDSIC-RUZDIDTESA-N	408.457	5.250	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)oc2ccc(Br)cc12	513686780	FYKHQQZUQSLUMI-CYBMUJFWSA-N	411.280	5.604	30	20	HKED	
Cc1cc(N(C)C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513987316	KXVZNTXAEZBBPU-UHFFFAOYSA-N	416.500	5.306	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)N[C@@H](C)c4ccc(C#N)cc4)CC3)c[nH]c12	516380490	PGLTXUHNOBEMMI-KRWDZBQOSA-N	400.526	5.252	30	20	HKED	
N#C[C@H](C(=O)c1cnc(C2CC2)s1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	517278274	ZSMKEVINNGEUIR-CPUAJEGOSA-N	409.580	5.435	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(F)cccc1F	517450970	STNIDSFXOPYMHN-KGLIPLIRSA-N	406.523	5.649	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccccc1SC[C@H](C)C#N	517457385	QECJHOYNPGTBLQ-OAHLLOKOSA-N	422.529	5.061	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)CC1	518004308	FIRJOPKNZPZFCY-HXUWFJFHSA-N	407.558	5.297	30	20	HKED	
Cc1cccc(OCCSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	518667910	OYPDMLGHBQLSFF-KRWDZBQOSA-N	400.569	5.140	30	20	HKED	
CCOc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	519051489	GZEDQHDVMDTEMZ-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
CCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	520837505	XSAYBTQPWGNRBA-UHFFFAOYSA-N	408.445	5.752	30	20	HKED	
Cc1c(C#N)c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nc2c1CCC2	522476953	WSTQZAWZPICNHU-UHFFFAOYSA-N	417.321	5.400	30	20	HKED	
Cc1nc(C)c(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1	523943875	MUSUJIBMDAZKRT-UHFFFAOYSA-N	411.914	5.050	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)cs1	530990319	DKDASSPFLRBYQX-GGAORHGYSA-N	416.550	5.100	30	20	HKED	
Cc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C	532486477	YMGIACNMPMHVJW-VGSWGCGISA-N	407.583	5.331	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	534018287	BUCGXRJATYSNAH-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1Cl	534168213	YXJQPRRWXJOXKF-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CCN(C(=O)c1sc(Cc2ccc(F)cc2)nc1C)c1ccc(C#N)c(Cl)c1	535122648	YWGZCIIWMXNRGA-UHFFFAOYSA-N	413.905	5.373	30	20	HKED	
CCCCCn1nc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c2ccccc2c1=O	536012018	LRGZHBUYDDHIQW-UHFFFAOYSA-N	422.554	5.070	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)[C@H](OC1CCOCC1)c1ccccc1	540154709	VAIMKUKWBGXMPU-IFDFRFIDSA-N	418.581	5.306	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(C)n(-c4ccc(Cl)cc4Cl)n3)[nH]c12	540682223	QRIBSTZFMHGQAK-AWEZNQCLSA-N	424.291	5.162	30	20	HKED	
CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	540813294	DHGXWKWTDIBJIR-FYYLOGMGSA-N	421.541	5.047	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)s3)s2)nc(C)n1	542022280	OEMDRZMVPGVQJS-LLVKDONJSA-N	418.341	5.136	30	20	HKED	
Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	542771744	IMVJJAAIDDNFID-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	542979487	ZEJYWYJRPOVVQB-HOTGVXAUSA-N	404.539	5.366	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1	543502280	PESNYQDSIPHELE-ZDUSSCGKSA-N	411.914	5.302	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3CCC(F)(F)F)n2)c(Cl)c1	543896328	LVVXRUWTJKXTIE-UHFFFAOYSA-N	418.806	5.145	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)N[C@@H](c1c(F)cccc1F)C(F)(F)F	544029461	BNNHFCXAOGVNDD-HEEBCNDISA-N	403.313	5.443	30	20	HKED	
C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2ccccc2)C1	549326335	CBSNIWLKSQCUNX-FQEVSTJZSA-N	420.582	5.149	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccccn1	551100053	QUZWMYNLZQIYQH-CYBMUJFWSA-N	424.530	5.037	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1	558176735	QHNZGFRNSMFDIO-GJZGRUSLSA-N	400.931	5.582	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC=C(c4ccco4)C3)c2)cc1	562098511	LWBABUZRCSZJNT-UHFFFAOYSA-N	413.477	5.246	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)NCC(C)(C)CCC#N)c(C(F)(F)F)c1	562142262	LLJQLRVMLDJTQS-CYBMUJFWSA-N	401.498	6.047	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1Oc1ccncc1	562228653	JQRGDLXPFFGAAV-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
C=C(C)C[C@H](C)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	576621129	SSJIADLCSIDEPM-SFHVURJKSA-N	401.510	5.596	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1sccc1C	582740661	WEOWLTMHYGIUHA-UHFFFAOYSA-N	405.523	5.480	30	20	HKED	
COCC[C@@](C)(C#N)NC(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1	584863224	JQPCEZPBEWLZQK-FQEVSTJZSA-N	423.365	5.334	30	20	HKED	
N#CCCN(C(=O)CSc1nc2ccccc2n1C(F)F)c1cccc(Cl)c1	590654849	URMYQNKZBZOGHI-UHFFFAOYSA-N	420.872	5.124	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccccc1	603533141	PQRACMMRKILFCO-UHFFFAOYSA-N	402.469	5.398	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccco2)cc1	603637554	DGAGYSXJJGFFQT-RUZDIDTESA-N	408.457	5.250	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	603969088	APYTZTWCHDCULD-HXUWFJFHSA-N	404.491	5.097	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2F)c1	609103791	AJXFUYGJDHDWIU-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1csc(-c2ccc(OC)c(OC)c2)n1	609193070	AIWPPWPTWNTMDK-UHFFFAOYSA-N	407.539	5.111	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc2ccccc12	609378348	CXTGZFGAIKAROX-UHFFFAOYSA-N	414.452	6.046	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	609969354	QLNXAIRLLAAWIS-SFHVURJKSA-N	402.469	5.288	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](Cn3cccn3)c3ccccc3)cc2)cc1	610163445	YBZAGYJYOCBLGH-DEOSSOPVSA-N	423.476	5.110	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	611855002	HFFRYPBTNIYPGV-NNWRFLSQSA-N	417.553	5.134	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)nc2ccccc21	612894717	KIYVWDLHBQNDAT-HXUWFJFHSA-N	415.880	5.296	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1cccc(C)c1	617936732	XECXLBLKQUBMEH-INIZCTEOSA-N	424.595	5.281	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	619680218	PYLXLNAFOBKMOK-IBGZPJMESA-N	402.972	5.950	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)cc1	619756782	BBWAVADFDYVTCN-QZTJIDSGSA-N	416.378	5.360	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)c1C	726802236	XTISHFCBBJPINS-ZHZULCJRSA-N	408.548	5.392	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1cccc(OC(F)F)c1	728439270	GIVYKIWUNWEWMX-WAYWQWQTSA-N	401.390	5.036	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	729420995	UYAGBHCACUXVBA-XGCMIMOYSA-N	403.482	5.028	30	20	HKED	
COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	730171125	QDTVVLDNBGUFBG-VKAVYKQESA-N	413.477	5.190	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1	730686008	LFQGPGLKDRQXBO-KXBFYZLASA-N	400.862	5.241	30	20	HKED	
N#CCOc1ccc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)cc1	731158035	OPBUNSZKVHXDJP-UHFFFAOYSA-N	401.491	5.386	30	20	HKED	
N#C[C@@H](C(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1nc(-c2ccccc2)cs1	731938076	BJAOZCYGLGABFS-AWEZNQCLSA-N	424.938	5.308	30	20	HKED	
N#CCOc1ccc(CNC(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)cc1	732460660	CLDAJGZDSARSKV-AREMUKBSSA-N	421.500	5.331	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)nc2ccccc21	732594057	ZEDSLMYHCDZMDZ-RJGXRXQPSA-N	421.500	5.132	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)Oc3cccc(Cl)c3)n2)cc1	733051853	AOAZPMPSQHZHSD-GOSISDBHSA-N	410.926	5.806	30	20	HKED	
C=CC[C@@H](NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1ccncc1	734503562	KIZAWHSFEPVQED-OAQYLSRUSA-N	414.914	5.123	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCCN(c2ccccc2)C1	734644827	WMELHQJAPFGDMU-UIOOFZCWSA-N	424.548	5.475	30	20	HKED	
Cc1cc(Br)ccc1NN=Cc1c(-c2ccccc2)nn(C)c1Cl	734748511	PKBXGDOKEHYMRQ-UHFFFAOYSA-N	403.711	5.257	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCc2nc(-c3ccco3)no2)c1	735010371	LUVQSJVBFOLMPW-UHFFFAOYSA-N	421.796	5.004	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1ccc2c(c1)COC2	742438069	ZHQIIAQKPQFYSZ-MDZDMXLPSA-N	423.310	5.178	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cs1	744027642	AMYBTDSFKZWTJB-HXUWFJFHSA-N	411.486	5.233	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1c(C)nn(C(C)C)c1C	746484928	CRNCXRKGRZCDAQ-UHFFFAOYSA-N	424.570	5.058	30	20	HKED	
COc1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1	747155223	SSUBWIPHKQHNEP-RCCKNPSSSA-N	419.908	5.870	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)n1	747196002	DKHHFSWRPATNDO-OAHLLOKOSA-N	414.918	5.169	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(OCc3ccccn3)c(F)c2)cc1Cl	747657299	AKCMGXYDDBCRMC-UHFFFAOYSA-N	412.877	5.134	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	747843119	LXYHYUAQEHULMY-MPGHIAIKSA-N	411.958	5.250	30	20	HKED	
Cc1cc(C#N)ccc1COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	748922658	TYBNZMICDZLTIY-UHFFFAOYSA-N	410.882	5.191	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)cn2)c1	752192202	PACDZNGZYRMKLT-HXUWFJFHSA-N	404.857	5.378	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(COC(C)(C)C)cc2)cc1C#N	752263791	FOXJUSJIMXVZLR-UHFFFAOYSA-N	410.474	5.086	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1C#N	752300089	YSKOYPWUXVFYRX-UHFFFAOYSA-N	421.284	5.097	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(SC(=O)N(C)C)cc2)n1	753060090	IZSOUUZFDXIKCT-UHFFFAOYSA-N	411.474	5.347	30	20	HKED	
O=C(O)c1ccccc1COc1cccc(C=NOc2ccccc2C(F)(F)F)c1	754712343	NFADILBSCCJCBV-UHFFFAOYSA-N	415.367	5.396	30	20	HKED	
C=C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	759208611	QIIURWREDRUKJS-KDOFPFPSSA-N	400.450	5.009	30	20	HKED	
CC[C@H](OC1CCCCC1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	761047953	LCFTVZKSLIDXIY-ZBFHGGJFSA-N	410.461	5.619	30	20	HKED	
N#Cc1ccccc1Sc1ccc(-c2nc(-c3cccnc3-n3ccnc3)no2)cc1	761713082	OYHYWZOCUQIMGI-UHFFFAOYSA-N	422.473	5.007	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nccc3ccccc23)cc1	764841520	UPSMTTPXTDSZDD-HSZRJFAPSA-N	409.514	5.621	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	766259557	XAPZZPURFWDVOK-GOSISDBHSA-N	410.926	5.626	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	767696279	IHUIOFPBLVIDRE-QGZVFWFLSA-N	400.544	5.398	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)CC2)cc1	767861335	XQYYBKRHUFWMGK-UHFFFAOYSA-N	406.917	5.133	30	20	HKED	
C=CCc1cc(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc(OC)c1OC	779029441	HZUICEYZMKPULZ-SFHVURJKSA-N	406.448	5.013	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1	779103546	DFQSQUBWDXIYEP-URXFXBBRSA-N	422.475	5.848	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	780147636	DEZAHSNXTCOMLO-LLVKDONJSA-N	418.305	5.660	30	20	HKED	
C#CCC1(C(=O)NCc2cc(-c3c(OC)ccc4ccccc34)no2)CCCCC1	788243052	HBRNKJJXKVZLGN-UHFFFAOYSA-N	402.494	5.093	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O	789451396	LCMXZWAVOXNMPI-JOCHJYFZSA-N	419.569	5.391	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1NC(=O)OC(C)(C)C	792095272	KDZZKGUZUTWHKX-IBGZPJMESA-N	401.466	5.380	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)N(Cc1ccco1)c1ccccc1C#N	796576703	UITSUJGDIHONIA-UHFFFAOYSA-N	419.478	5.007	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2nc(-c3ccccc3)oc2c1	796632228	MBMFNHZPLLBUFM-SFHVURJKSA-N	415.836	5.109	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1)c1ccncc1	797460146	NRXOQZDCQSRQCA-WOJBJXKFSA-N	414.347	5.316	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	802036435	XDIVUYJMVXMSDQ-MAUKXSAKSA-N	402.347	5.098	30	20	HKED	
FC(F)(F)COc1ccc(N[C@H]2CCO[C@H](C(F)(F)F)C2)cc1C(F)(F)F	806158250	WHCXWUJQEDCHJC-CABZTGNLSA-N	411.264	5.168	30	20	HKED	
Cc1ccc([C@@H](O)[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	806230011	BNVISSWTBXYGGR-UUOWRZLLSA-N	415.493	5.211	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(Br)nc1)c1ccc(-c2cccc(C#N)c2)cc1	810234445	COXNBIHVYBYNDP-HOTGVXAUSA-N	406.327	5.795	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=S)Nc3cc(Cl)cc(Cl)c3)cc2)ccn1	811707614	FKFWQVNCGAQQPJ-UHFFFAOYSA-N	415.305	5.861	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@]1(c2ccccc2)C[C@@H](F)C1	883978507	PEUHZZGKDCFXOE-YUXNHXRJSA-N	411.361	5.082	30	20	HKED	
O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(O)Cc1cccc2ccccc12	901370197	AXKCTGMAUXNZNW-UHFFFAOYSA-N	408.404	5.124	30	20	HKED	
C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1	913359250	BOWRBABVKCORDI-GOSISDBHSA-N	401.462	5.102	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)OCc2cc(Cl)cc3cccnc23)c1C#N	914897620	LXYWRIHWMZBCEP-UHFFFAOYSA-N	409.898	5.111	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CC2(Cl)Cl)cc1Cl	915907678	CBPVWJGSCRIYRW-CZUORRHYSA-N	408.716	5.311	30	20	HKED	
O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(-c2nc3ccccc3s2)o1	916306024	HQZQOWRDNRQKNO-UHFFFAOYSA-N	423.453	5.340	30	20	HKED	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nnc2C)cc1	916350451	MGBICKFCJVGILV-UHFFFAOYSA-N	416.554	5.132	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cccc(OCC#N)c1	916409966	PGWMKWZFHFHTIU-UHFFFAOYSA-N	407.473	5.294	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2)cc1	916901376	GKWHMASLDZSNRN-LJQANCHMSA-N	418.880	5.285	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(F)c(Cl)c1	916936347	HYSTZQVNKJAMST-KRWDZBQOSA-N	410.832	5.019	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Cl)s2)cc(Br)c1OC(F)F	917143944	YQFDEGJSSLRAOH-NSCUHMNNSA-N	423.662	5.670	30	20	HKED	
COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1	917562185	USZNHCFFMBWFOX-YRNVUSSQSA-N	422.506	5.049	30	20	HKED	
CN(C)c1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)cc1	918034465	PSCNBQLTRIXPMP-SANMLTNESA-N	424.548	5.605	30	20	HKED	
CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)c1cc2ccccc2o1	919904466	ODECRGNGFFXFGF-CYFREDJKSA-N	423.516	6.703	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CSc1cc(Cl)ccc1Cl	920106534	RINQDJIPFZRJON-AWEZNQCLSA-N	417.317	5.467	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2)CCC1	1789104262	HKROJUVXZZITTF-UHFFFAOYSA-N	419.550	5.171	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccccc1C	11166496	WDYFHMRWFQRLLE-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2F)cc1	11171353	FTPBNCCMYMDORX-UHFFFAOYSA-O	419.545	5.215	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(C)c(F)c2)c1	14872459	OKBPVEYSJFRLTG-UHFFFAOYSA-O	419.954	5.496	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3cc4ccccc4s3)s2)cc1	18118926	QAVUTYVNLHUXSR-UHFFFAOYSA-N	408.533	5.169	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1cccc(C)c1	22299157	XKSILBNGAAQOHC-UHFFFAOYSA-N	417.534	5.455	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccncc2)cc1	48161704	YJNHIYVPPDELQJ-DEOSSOPVSA-N	412.493	5.096	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	63394683	GQENMLSZHVBCGQ-UHFFFAOYSA-N	408.461	5.442	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1ccccc1Sc1ccc(Br)cn1	63962315	AMJCKFOIEFWNHB-UHFFFAOYSA-N	424.323	5.428	30	20	HKED	
CC(C)(C)n1nc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C1CC1	65680402	AVCDGZOEDUMAHE-UHFFFAOYSA-N	400.482	5.432	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	111020545	BMJGSMSXYPHMRO-UHFFFAOYSA-N	411.461	5.454	30	20	HKED	
CCOc1cc(CNc2cccc(OCCCC#N)c2)cc(Br)c1OC	237045327	XLSWUNKVLPWBFG-UHFFFAOYSA-N	419.319	5.151	30	20	HKED	
C=CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccc(Cl)s1	303398655	QITHDIFZZRINMY-HNNXBMFYSA-N	420.003	5.280	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)c1	409839128	YVFZZUXRSQNACF-HSZRJFAPSA-N	422.431	5.406	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1	410376390	UENIDJTVUXCSEJ-UHFFFAOYSA-N	405.519	5.031	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1ccco1	426822691	FDUCPRYTYYYMQI-DEOSSOPVSA-N	417.509	5.117	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cnn1-c1cccc(C#N)c1	427497581	RDRLHWIFHWCITC-HZPDHXFCSA-N	410.930	5.154	30	20	HKED	
Cc1cc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ncn1	428346844	IMRJENISHFIZLF-CYBMUJFWSA-N	417.275	5.216	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(c2ccccn2)C2CCCC2)c1	430259098	DRRLDOYZPCPMFV-UHFFFAOYSA-N	417.896	5.988	30	20	HKED	
CCC(CC)(CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccc(Cl)cc1	433315465	FBSOUSKARPPVDE-UHFFFAOYSA-N	421.976	5.360	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)[nH]c12	437379981	KWCLFGISIACJGU-SFHVURJKSA-N	410.408	5.309	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	437541609	XMXCNDNKDCHNOW-VFNWGFHPSA-N	420.513	5.360	30	20	HKED	
COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	437596397	XRLQCBWZRYEQOM-INIZCTEOSA-N	419.456	5.189	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1C[C@@H]1Cc1ccccc1	437980444	USEMMLRKXQRBMV-DHLKQENFSA-N	411.505	5.198	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(-n2cccn2)cc1	438065681	JGMGIKFJAJSNHY-GOSISDBHSA-N	423.476	5.419	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)s1	438643805	GOYXULDQRBVBDU-UHFFFAOYSA-N	419.428	5.774	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1	439393769	GPLBSIWHZFKWBA-HXUWFJFHSA-N	406.873	5.694	30	20	HKED	
COCc1nc(CNc2c(C#N)cnc3c(F)cc(F)cc23)c(-c2ccccc2)s1	440638830	MYLFLDSZXWRMSE-UHFFFAOYSA-N	422.460	5.267	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(Br)c3)n2)cc1	442681631	NLJLKUZQYLIZAI-AWEZNQCLSA-N	415.287	5.510	30	20	HKED	
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1	444383190	NSXLFWVJJCFOAD-INIZCTEOSA-N	414.465	5.161	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3ccc(Cl)s3)no2)nnc1-c1ccco1	445565208	SCLCJSJACBASLC-UHFFFAOYSA-N	419.919	5.171	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccc(C#N)nc1	460334893	LIBNKSLZMLWLPD-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Oc1cccc(F)c1	460484058	VMNPCUGRUHVCEV-MRXNPFEDSA-N	406.482	5.046	30	20	HKED	
CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ncccc1OCCCC#N	466598777	JLEMUFRPEQTFNH-IBGZPJMESA-N	400.910	5.279	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)cs2)cc1	468112536	YCRZDFJNMBBUEB-NZQKXSOJSA-N	409.555	5.001	30	20	HKED	
CCC[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1F	468499879	BCLLNPDRVAGTDU-ZDUSSCGKSA-N	418.328	5.332	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(OC(C)C)c1	475344907	YHMJJCNOOCFMIV-UHFFFAOYSA-N	417.465	5.102	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC	475551660	LDSGWSGWAWSWCJ-JOCHJYFZSA-N	408.542	5.925	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C	475561160	AJANJNLHTNDLFB-FQEVSTJZSA-N	419.529	5.502	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC	475581145	DXOTWMJZKDFCNU-QFIPXVFZSA-N	408.542	5.925	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1	475589126	YVUQNQDWKWWISZ-UHFFFAOYSA-N	421.589	5.114	30	20	HKED	
C=C(C)[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)c(F)c1	475668591	FDBWUODOBDQDSW-JOCHJYFZSA-N	416.855	5.639	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2cccnc12	482059008	FZEXFHKEJGWASX-HKUYNNGSSA-N	422.435	5.140	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)oc2c(Br)cccc12	483244115	ZKQCLDKIRNTLCB-MRXNPFEDSA-N	405.251	5.542	30	20	HKED	
CC(C)(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	484341134	INBPQYCQOKGPOE-UHFFFAOYSA-N	403.457	5.326	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F	486463235	SIWDDTFGJMUVAT-FQEVSTJZSA-N	403.448	5.072	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccccc1	487575089	NUUYVXQNTXVYCL-SFHVURJKSA-N	413.399	5.525	30	20	HKED	
C[C@H](CC(=O)c1cccs1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	496518553	BRBSMONCXBIBGJ-MRXNPFEDSA-N	420.559	5.303	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1c(Cl)cccc1Cl	499831219	GCCIYAZJAGUKSY-OAHLLOKOSA-N	420.296	5.174	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c1	500770083	YCPHALSYQJIIOC-NRFANRHFSA-N	418.497	5.451	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(F)c(F)c1F	502671669	SBTBSKQQXAWDQN-UHFFFAOYSA-N	417.200	5.226	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	503011953	ADDQBRJYPOKARS-CJAUYULYSA-N	422.525	5.335	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccccc4)nc3)n2)cc1	503448006	MAIIYXDBKPYFGP-HXUWFJFHSA-N	422.469	5.359	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3cccc(F)c3C2)cc1	503483239	ARRDZEQVGKLYJE-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CCC2	504653743	FWNOLIMRLVHINC-BMRADRMJSA-N	401.897	5.361	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)n1	505439026	DRGSNDZZLDNCPF-OAHLLOKOSA-N	422.897	5.613	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1	505756893	OHQHSBTXVAPGJA-INIZCTEOSA-N	413.289	5.234	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc2)cc1	505837023	FMEBYOSGCNSEBC-QFIPXVFZSA-N	401.853	5.193	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CN(CCC#N)Cc2cccnc2)cc1	505881091	DZAQWCJTQSCNBL-UHFFFAOYSA-N	407.521	5.159	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Br)c1	510466227	VNZXVXJNLAWEMG-YJBOKZPZSA-N	403.707	5.014	30	20	HKED	
N#Cc1ccc(OC2CCN(Cc3ncc(-c4cccc(Cl)c4)o3)CC2)c(F)c1	512826947	HLCXGHWHDUHDPE-UHFFFAOYSA-N	411.864	5.049	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1N1CCCCC1	512862849	XKWBNFVVALZZPA-UHFFFAOYSA-N	412.493	5.297	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	513201257	MWSAEKDUYDMYHQ-SFHVURJKSA-N	413.521	5.914	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	515283785	MZPQKWJBGPGZQN-AMHTUMDSSA-N	421.541	5.470	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cnn(C(C)C)c2n1	518239800	MIROQJFGEBTQKP-MRXNPFEDSA-N	421.570	5.782	30	20	HKED	
Cc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1NC(=O)c1ccccc1F	518502281	HHVPYMUNQVRQMO-QGZVFWFLSA-N	413.408	5.018	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1Cl	520786899	NEHQHEBSMAFJRY-IRLDBZIGSA-N	422.960	5.088	30	20	HKED	
CCN(Cc1ccc(C)cc1)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	521137515	YJMMTARRXDYINW-UHFFFAOYSA-N	400.526	5.051	30	20	HKED	
CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H](C)c1ccc(C#N)cc1	522305099	RNMLZTJTTADECW-LJQANCHMSA-N	409.489	5.232	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1	524441043	PBWWLDCEDPMHDS-RUZDIDTESA-N	411.505	5.815	30	20	HKED	
Cc1ccccc1C1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1	524454461	CWVOEEKQJNXLNP-UHFFFAOYSA-N	400.453	5.255	30	20	HKED	
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	524810206	QOJIQEQUAWDYRP-UHFFFAOYSA-N	421.566	5.030	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F	525558279	DVYXZIPQFONITG-UNMCSNQZSA-N	420.434	5.621	30	20	HKED	
CC[C@H](C)n1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nnc1-c1ccccc1	525629448	DYVJBTGUQSVVPS-HNNXBMFYSA-N	416.510	5.130	30	20	HKED	
C=CCCC[C@H](C)NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	538371467	WTOYGFMIQYHJAK-KRWDZBQOSA-N	405.464	5.557	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(CC#N)cc3)n2Cc2ccco2)cc1	543153146	CGDIAZGMMDVIPL-UHFFFAOYSA-N	400.507	5.253	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	545493885	GAISAMORVVEERI-IBGZPJMESA-N	407.411	5.140	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1Cl	548607047	GMOJEHBIDUNSRA-UHFFFAOYSA-N	421.334	5.261	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3ncco3)c2)cc1	548929147	MVYFTGJJDNXSRJ-UHFFFAOYSA-N	411.486	5.758	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C	555049429	SVNLYODBPRTAEF-UHFFFAOYSA-N	415.921	6.131	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	558338939	IJHLTBWJADDCGP-LQWHRVPQSA-N	423.582	5.952	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCc1nc([C@@H](c2ccc(Cl)cc2)C(C)C)no1	564282803	PRLVXEBTMGVIOW-OAQYLSRUSA-N	411.937	5.023	30	20	HKED	
Cc1c(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)sc2ccc(C#N)cc12	566059667	RXJIMVQLLYPWBL-UHFFFAOYSA-N	406.898	5.481	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	572652504	FPFGQBUBVXNDFH-UHFFFAOYSA-N	424.464	5.099	30	20	HKED	
CN(Cc1ccc(Cl)s1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	580592629	YEBURJOLSPOEEB-UHFFFAOYSA-N	422.381	5.192	30	20	HKED	
CO[C@H]1CCOc2c(NCc3cccc(OCc4cccc(C#N)c4)c3)cccc21	583243477	MSOWJWCTFPMFLW-DEOSSOPVSA-N	400.478	5.219	30	20	HKED	
COc1ccc2cc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c(C)nc2c1	603639989	DCGXYSVSPWKSEH-UHFFFAOYSA-N	423.472	5.255	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3Cl)cn2)cc1	603831185	ULBNBPFNZNQCRK-NRFANRHFSA-N	418.884	5.768	30	20	HKED	
Cc1cc(C)cc(Oc2ccc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)cc2)c1	604016402	ZRTHUFMLUOYBHG-UHFFFAOYSA-N	415.493	5.256	30	20	HKED	
N#CCn1c(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)cc2ccccc21	609216837	UJIRWUXIAKTJNA-UHFFFAOYSA-N	400.869	5.060	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CC(F)(F)F)c1ccccc1	609398731	MSRMUWQWENIZRE-WMLDXEAASA-N	407.461	5.754	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	609585081	BZCMYGMSOBQIPZ-QGZVFWFLSA-N	404.539	5.119	30	20	HKED	
CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	609643494	TYEGQMDNFLCSIC-SFHVURJKSA-N	402.498	5.193	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609677917	MKGWCGNDGZKFTL-JXFKEZNVSA-N	402.523	5.015	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2coc(-c3ccccc3)n2)cc1	610184025	NIZWAKFAIKAMGT-UHFFFAOYSA-N	413.408	5.075	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C	610320028	ODNHVLHVKOJXKB-QHCPKHFHSA-N	412.493	5.731	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN(C(=O)c4c(Cl)cc(C#N)cc4Cl)C3)[nH]c2c1	611190000	PYHAHECBBFBDDX-CQSZACIVSA-N	413.308	5.070	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@H](C#N)CC(C)C)c2c1C	611250061	CBPCSBIRULABOL-HNNXBMFYSA-N	410.568	5.127	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)s1)c1nc(-c2ccc(Cl)cc2)cs1	612941624	GSQVDQVMUZXFDD-LLVKDONJSA-N	423.744	5.778	30	20	HKED	
N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1nc2ccccc2o1	642281647	YCBMKTWVMUKGSW-HXUWFJFHSA-N	418.456	5.230	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1ccc2ccccc2n1	671746048	IYMVZLCPSQANMA-SFHVURJKSA-N	409.411	5.344	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)c1C(F)F	683133930	JGMYRXLCKPBQOE-UHFFFAOYSA-N	415.284	5.439	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccc(OC(F)F)cc2)cs1	726427100	QAJSBXIJIABKQZ-UHFFFAOYSA-N	420.416	5.014	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(Cl)c2Oc2cccnc2)cc1Cl	726477837	YDNJDBZCYSWVEV-UHFFFAOYSA-N	415.305	5.861	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Br)cnc1Cl	726503225	JIZBMKWZPMHFEQ-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1Cl	727626958	JMOYVSAXZUTHFO-HKUPYCBJSA-N	407.684	5.398	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)c1nnc(-c2cccs2)o1	728062151	GKCYRULZRHVZBB-MRXNPFEDSA-N	416.506	5.730	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sccc3SC(F)F)n2)cc1	730687638	PTVAAKRFZGLOHG-LBPRGKRZSA-N	406.504	5.985	30	20	HKED	
C#CCOc1cccc(NC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1	731109635	VBBRRYPAFAMSOZ-UHFFFAOYSA-N	418.537	5.024	30	20	HKED	
CC1(C)C/C(=C/c2cccc(OCC#N)c2)C(=O)/C(=C\c2cccc(OCC#N)c2)C1	736434154	PFOJIZFFKQRHEV-JZTLMNBPSA-N	412.489	5.347	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	737841774	RNUPYUMMSZEWGB-OAHLLOKOSA-N	404.228	5.091	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1	739445749	RJCVEJMTGUNJND-KRWDZBQOSA-N	405.592	5.798	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccccc3C(F)(F)F)c2)s1	740022202	GNJVTZRDXUFWHT-UHFFFAOYSA-N	401.413	5.627	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1c(Cl)nc2sccn12	741842632	ANRUCDNIGUMVFA-AATRIKPKSA-N	406.319	5.722	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1	744030114	ZRYKSGLCLPYCBC-KDOFPFPSSA-N	402.416	5.109	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CC(=O)c3cccc(F)c3)n2)cc1	744031356	LIOOOWBFOKKNME-BEFAXECRSA-N	406.482	5.343	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)o2)cc1	744033205	RNSXWLQVKYDJGJ-INIZCTEOSA-N	410.832	5.263	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc2cc(F)ccc2s1	744117678	BCRPYAJCQOKWQC-QLFBSQMISA-N	405.281	5.722	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	748402695	QJVGXVOCRAKWNE-SNVBAGLBSA-N	411.672	5.011	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1C#N	752308494	SUNSAVSPMHVIRS-ZDUSSCGKSA-N	400.866	5.005	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2cccnc2)c2ccc(F)c(C)c2)ccc1OC	753679783	UCDADANHVNDPIB-BWKNWUBXSA-N	419.500	5.098	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cnc(C(C)C)s2)c1	758373162	DAYZARYAHXRVBF-UHFFFAOYSA-N	415.588	5.040	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)c2)n1	760071984	ZCDZUTGVVWIDOQ-UHFFFAOYSA-N	410.477	5.490	30	20	HKED	
N#CCn1c(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc2ccccc21	762998312	WPPIVEWQNLLMST-VWLOTQADSA-N	409.489	5.083	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cccc([N+](=O)[O-])c1	763946037	WFXLKFLPDYPIIH-SJKOYZFVSA-N	411.870	5.352	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C/C=C\c2ccc(C(C)C)cc2)ccc1OC	764237229	JXJYXHSLVYQSML-DYRFGFBLSA-N	406.526	5.219	30	20	HKED	
COc1cc(C)c(Br)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1	764918086	GTWUTRZZJUDNFT-UHFFFAOYSA-N	410.724	5.100	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)c1=S	765051680	BLGCNOJWDULFOP-LAUBAEHRSA-N	423.561	5.232	30	20	HKED	
C=CC[C@H](N[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1	766019255	LCFRQRVZWURSFW-UGSOOPFHSA-N	411.855	5.378	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1ccc(C(C)(C)C)cc1	767666176	CKDFQCZVFCYDGJ-KRWDZBQOSA-N	424.566	5.103	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2c(F)cccc2Cl)cs1	769827133	OJEUBNHEQMNNBU-UHFFFAOYSA-N	416.909	5.683	30	20	HKED	
N#CCCCn1cc(C(=O)O[C@@H](c2cccc(F)c2)c2ccccn2)c2ccccc21	774072027	LOURPAJKRVERNP-DEOSSOPVSA-N	413.452	5.426	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(CC)C[C@H](CC)c2ccccc2)c1=S	774704521	UPELKCRXFUJHEY-IBGZPJMESA-N	407.587	5.135	30	20	HKED	
COc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2OC)cc1	776172497	YVDBAWGOGPNJLX-BVZFJXPGSA-N	402.494	5.046	30	20	HKED	
C[C@H](Nc1ccccc1O[C@H](C)C#N)C(=O)Nc1ccccc1Oc1ccccc1	779712540	IGTCXTRNZFQPLB-MSOLQXFVSA-N	401.466	5.209	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	780531492	BUSQBJBCLFZXEQ-HNNXBMFYSA-N	422.872	5.249	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1Cl)c1ccccc1	780927625	JHOLUNIOZWTCQR-NYHFZMIOSA-N	405.885	5.057	30	20	HKED	
CC(=O)[C@@H]1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1(C)C	781448869	MPNQMUHFWXRHIJ-SOUVJXGZSA-N	421.349	5.544	30	20	HKED	
Cc1cccnc1C(F)(F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	782588288	JLESEXQBLVQIEE-SFHVURJKSA-N	411.839	5.429	30	20	HKED	
Cc1cccnc1C(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	783354262	AXUSVDZSTNORAF-UHFFFAOYSA-N	415.387	5.145	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CC3CCC(C(F)(F)F)CC3)n2)cc1	783358095	XLEVZDXYUVVMJR-BDVYOWHSSA-N	406.473	6.054	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21	786310699	KSBWDHNTKHFBNZ-OYDLWJJNSA-N	416.565	5.776	30	20	HKED	
N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1cnc2ccccc2n1	792109863	VZTRQMWYSFTTAX-BUYRESAOSA-N	401.775	5.105	30	20	HKED	
N#CCOc1ccc(Cl)cc1CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1	792433811	BLSHOGSIXIAKTM-UHFFFAOYSA-N	415.242	5.693	30	20	HKED	
Cc1cc(COC(=O)C[C@@H](CC#N)c2ccccc2)nc(-c2ccc(Cl)cc2)n1	795981948	PYWMXCCZTKVLKI-LJQANCHMSA-N	405.885	5.236	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806263833	ZJZMNSPDQXBSCF-NSHDSACASA-N	410.326	5.272	30	20	HKED	
COc1ccc(/C=C\c2ccc(OC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)cc1	813315857	VEUVPWHVVQUPGJ-WNICYBEOSA-N	408.457	5.025	30	20	HKED	
N#Cc1cc(C(=O)O[C@H](c2cccc(Cl)c2)C(F)(F)F)cnc1C(F)(F)F	815941656	JPVLRWKCAILHJT-CYBMUJFWSA-N	408.685	5.086	30	20	HKED	
C=C(C)CN(CC)C(=O)c1ccccc1SCC(=O)NC1CCCCCCC1	849207999	RGDRMPPSFBPHLC-UHFFFAOYSA-N	402.604	5.046	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	914501368	GCRNOASTMQFELA-RUZDIDTESA-N	424.500	5.063	30	20	HKED	
Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	915860374	TWJOHHUFJHSTQW-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	916883045	GCQDTTDQUNTFOJ-HNNXBMFYSA-N	409.700	5.317	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SC(F)F)cc3)n2)cc1	916971522	BITUFQXFIMPDPR-MRXNPFEDSA-N	400.475	5.923	30	20	HKED	
N#C[C@H](C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1nc2ccccc2o1	917510240	ZGLJYDTWEUPYRC-DENIHFKCSA-N	406.445	5.012	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)no3)CCC2)cc1	1789455867	GEDLKMABVLQVTG-FQEVSTJZSA-N	421.541	5.314	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CCC2)cc1	1792263889	GMTLMLFEYMJEHA-WWPVKYPJSA-N	406.570	5.140	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)CCCCC)CC2)C1	1805458712	UAGSSSGTWXZUBW-OAQYLSRUSA-N	402.623	5.202	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1cccs1	14062709	VLUOJYVRYNBNEE-UHFFFAOYSA-N	412.584	5.048	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccccc1	14871963	YELNVGIZNSAFPA-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(-c3ccc(Cl)cc3)no2)n1	22226756	NXCYQJSJZIEDQM-UHFFFAOYSA-N	410.808	5.276	30	20	HKED	
Cc1nc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)ccc1C#N	24649177	ADYHYHDKDVUGRZ-UHFFFAOYSA-N	412.493	5.064	30	20	HKED	
CC(C)c1c(C(=O)Nc2cccc(C#Cc3cccs3)c2)cnn1-c1ccccn1	46660966	LSWXGIDIVGVFLO-UHFFFAOYSA-N	412.518	5.104	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1Cc1ccccc1	46667653	ZVKNHRMQAAKOQO-UHFFFAOYSA-N	419.484	5.897	30	20	HKED	
Cc1cc(C)c(-c2csc(/N=C(\O)CN(C)Cc3cnc(C)s3)n2)c(C)c1	47259263	CQHBIRWDLPIREA-UHFFFAOYSA-N	400.573	5.220	30	20	HKED	
CC(C)Oc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	55823576	RJALNCZPDXRADC-UHFFFAOYSA-N	400.478	5.371	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1	56379487	OCFIAIZVQFAMDO-LJQANCHMSA-N	414.553	5.252	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccccc1OC(F)F	60036191	ZQJAEKIJKSBACE-OAHLLOKOSA-N	423.419	5.391	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	195652807	VQJRFGSZWZMWJW-YWZLYKJASA-N	424.422	5.700	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(OC)c(OCc3ccccc3)c2)cc1OC	210569865	MYCUAXAZDXBENR-XFXZXTDPSA-N	404.462	5.188	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1OCC1CC1	303171578	JHQKHFXACXGNQK-UHFFFAOYSA-N	412.489	5.487	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCSc4ccccc43)c2)c1	303585686	GBXFWNISRLJLHW-QFIPXVFZSA-N	400.503	5.104	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N[C@@H](CCC#N)c3ccccc3)s2)c(F)c1	409995964	HTVMKSYJHOITDS-IBGZPJMESA-N	409.486	5.041	30	20	HKED	
C=CCn1c(SCc2ncccc2C(F)(F)F)nnc1-c1cccc(Cl)c1	428088917	GVHWXKFMQMETRD-UHFFFAOYSA-N	410.852	5.491	30	20	HKED	
N#CCSc1cccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1	430701973	FTOVCJUFEPNQEE-UHFFFAOYSA-N	404.457	5.173	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2s1	435190847	KAIZXFJKHXTZHX-DNVCBOLYSA-N	410.930	5.562	30	20	HKED	
C=CCC[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1	435277355	IYSHSBFCBCESJK-SFHVURJKSA-N	413.930	5.306	30	20	HKED	
N#Cc1cccc(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1	439046283	WTHBZDLQQSUGGF-UHFFFAOYSA-N	408.486	5.052	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	439308649	XTMHSIUEBXXEJS-GOSISDBHSA-N	422.872	5.352	30	20	HKED	
CCCc1c(NC(=O)N(C)Cc2ccc(Cl)s2)cnn1-c1cccc(C#N)c1	439664898	PSKJRFWXVKVEHR-UHFFFAOYSA-N	413.934	5.075	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@@H](CCC#N)c3ccccc3)c2)no1	439669780	XCTUNFJTJOVJLT-FQEVSTJZSA-N	402.498	5.100	30	20	HKED	
Fc1cc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c2c(c1)COCO2	444742542	JCQAREIJSNBJFC-INIZCTEOSA-N	423.328	5.494	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)c(F)c1	445796315	ZTQUCKAVWDJPFP-UHFFFAOYSA-N	419.362	5.568	30	20	HKED	
N#Cc1ccc(NC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)cc1C#N	460105158	BMWHAZKVFDTYKB-NRFANRHFSA-N	405.429	5.180	30	20	HKED	
C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	460543733	CNKUCRZXSPZNIP-MAUKXSAKSA-N	407.345	5.006	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)Nc2ccccc2)cc1	461903385	PUKOIVYJKQVFMV-ROUUACIJSA-N	412.493	5.183	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	462389419	QWEDBVSRJQELJG-CYBMUJFWSA-N	415.478	5.620	30	20	HKED	
CCc1ccc([C@H](Nc2ccc(C#N)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1	462922769	DPRXRLOWGGYESY-QHCPKHFHSA-N	424.953	5.379	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	463140292	KTNJPOYFYDRASM-HNNXBMFYSA-N	407.495	5.465	30	20	HKED	
C=CCc1cc(CN[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc(OC)c1O	463711466	RNYFDAZMFDTCLD-IBGZPJMESA-N	424.541	5.559	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCSc3ccncc32)c1	469527616	RMEPQFGTXHCPNV-UHFFFAOYSA-N	407.882	5.151	30	20	HKED	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1	470539420	XTSNFDXHVHQRON-LJQANCHMSA-N	418.541	5.111	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	470622230	FTZGHMUNHMQWFO-SWLSCSKDSA-N	408.807	5.417	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	470884087	VBNLMBUSXDZTNV-CVDCTZTESA-N	409.489	5.328	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1	472345406	FCJNATPJYTYVQK-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)n1	474446245	NZHXGENZLVLDGE-HXUWFJFHSA-N	416.502	6.082	30	20	HKED	
Cc1cc(CN(C)C(=O)C[C@H](CC#N)c2ccccc2)cc(C)c1OCC(F)(F)F	475017596	OWMWCQVJHBMRKE-FQEVSTJZSA-N	418.459	5.291	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccccc1I	476090146	MJYWBCMNCDZGAA-UHFFFAOYSA-N	419.306	5.324	30	20	HKED	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C[C@H](CC#N)c1ccccc1	476096344	MAQRIACAPRFYRT-SFHVURJKSA-N	422.916	5.216	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1	476124029	RUGXJJIRLVGVLF-MRXNPFEDSA-N	414.546	5.377	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1	476792095	ASAFHNGZSDDYCD-NRFANRHFSA-N	405.586	5.984	30	20	HKED	
C=C(C)[C@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1ccc(F)c(F)c1	478917158	JANBVNVVVKGWKL-RBZFPXEDSA-N	401.482	5.069	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(C)n1)[C@H](c1cccnc1)c1csc2ccccc12	480996411	CGJASNLCTHAHDY-HSZRJFAPSA-N	412.518	5.123	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	483972464	BVOHFHHMGHCHPQ-OAHLLOKOSA-N	400.265	5.205	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Cc1ccc(Br)cc1	498276203	MCHTUDSRKCJWHQ-HUUCEWRRSA-N	417.372	5.518	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1	499228796	NRZIVVDDLVXEPK-UHFFFAOYSA-N	415.346	5.085	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1CC(C)C	499367774	GDGBYXPSEBOLKY-UHFFFAOYSA-N	422.916	5.204	30	20	HKED	
N#C[C@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1Cl	499931387	PLEQIWFYXNDGOD-QFIPXVFZSA-N	402.881	5.351	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nc(-c2ccccc2)oc1C	500732963	MUZJCXVOOUZXRA-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12	503188323	ISURFZCRWXQSFD-ZEQRLZLVSA-N	419.484	5.949	30	20	HKED	
C=CCN(C(=O)CCc1ccccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	504473254	GGFATASDIDFQAW-UHFFFAOYSA-N	407.495	5.179	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1	506529997	FAGFOJDZHCYRPV-QGZVFWFLSA-N	406.313	5.170	30	20	HKED	
C=CCC[C@@H](C(=O)NCc1nc(COC)sc1-c1ccccc1)c1ccccc1	508351057	XSKIHSAVNXXFFH-HXUWFJFHSA-N	406.551	5.323	30	20	HKED	
CC(C)n1ncc2cc(CN(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cnc21	510415775	RRUNSDMYJWDLGE-UHFFFAOYSA-N	413.500	5.225	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1	510589624	UQHIMGBKMJDEPP-IBGZPJMESA-N	402.325	6.164	30	20	HKED	
CCOc1cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC	512528116	CGXNOPKRAXTGLW-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
COc1ccc(C)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513960122	ALDHNYNRMONJGM-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)cc(-c3ccccc3)nc21	514650176	SNYKQLJRRNZOMZ-UHFFFAOYSA-N	415.884	5.457	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCCCCC2	515449187	JVYMQYUCHDAKMB-UHFFFAOYSA-N	424.526	5.039	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2SCCC#N)cc(Cl)c1OCC(C)C	518505057	DFVGKNCXJOXALG-UHFFFAOYSA-N	418.946	5.641	30	20	HKED	
CC(C)(C)n1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(-c2ccccc2Cl)n1	518640347	IFJREEIICWPQAS-UHFFFAOYSA-N	413.308	5.736	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCc2ccc(F)cc21	520743319	XMTOVBYTXWOKHG-HSZRJFAPSA-N	401.441	5.607	30	20	HKED	
Cc1ccc(CCC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1	521747989	HEYYAKZWPRDXGC-FQEVSTJZSA-N	421.610	6.124	30	20	HKED	
C[C@@H]1SCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H]1c1ccccc1	522794594	HEMUFJXAKJXQCQ-GAJHUEQPSA-N	418.518	5.049	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	524491726	QFTLEIDGPHEEQC-UHFFFAOYSA-N	409.489	5.060	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)c(F)c1	531270480	NCVLAZHWHNFXGT-UHFFFAOYSA-N	424.428	5.011	30	20	HKED	
C=CCC[C@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1	537155198	ZOCRERSSGVFLQO-QHCPKHFHSA-N	405.567	5.933	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cncnc2-c2ccccc2)cc1Cl	538267372	JCKMDOJQLFWYMX-OAQYLSRUSA-N	424.891	5.705	30	20	HKED	
N#CC1(CCCN[C@H](c2ccccc2)c2ccc(Br)cc2)CCOCC1	538610941	AZYRQMVGWNQJRC-OAQYLSRUSA-N	413.359	5.229	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCc1cccs1	539883776	WEDXVCMNPJOPKU-UHFFFAOYSA-N	405.523	5.262	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1	540454165	QECBAHCLIAPLHN-CQSZACIVSA-N	406.713	5.372	30	20	HKED	
N#Cc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccc1Cl	540883901	AMUTWTGELXHIMU-UHFFFAOYSA-N	400.265	5.026	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CC1	542898296	GZQWZTWUPZFQSJ-UHFFFAOYSA-N	417.431	5.442	30	20	HKED	
Cc1ccccc1C1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1	544484227	VUILHZUGIOZZTQ-UHFFFAOYSA-N	400.478	5.059	30	20	HKED	
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1	549687885	JHFFDWFJWUBSLO-INIZCTEOSA-N	400.954	5.120	30	20	HKED	
COc1ccc(-c2ocnc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	558238900	LNLSROQUZNYFKH-CQSZACIVSA-N	409.854	5.103	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2cccc(F)c2F)CC1	562304563	WKTWBGHUNKILRY-OAHLLOKOSA-N	415.509	5.771	30	20	HKED	
CC(=O)N(c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1)c1ccc(C)cc1C	570156342	HVGJLALPVDJJRK-QGZVFWFLSA-N	404.539	5.167	30	20	HKED	
N#C[C@H](C(=O)c1ocnc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	580359488	BZHWRIBTOSNNHL-GFCCVEGCSA-N	404.278	5.472	30	20	HKED	
COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)CCCCCC#N)c1	588948322	DDVWHSMSERIDKU-UHFFFAOYSA-N	417.918	5.085	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cn1)c1ccccc1	592973697	IVYHKYFVZFRZBS-KSSFIOAISA-N	417.465	5.460	30	20	HKED	
COc1ccccc1OCCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	603532679	KMKVIDLLPMOPQG-UHFFFAOYSA-N	418.468	5.017	30	20	HKED	
C[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1	603737306	MVDFPAFVPJXUEN-IBGZPJMESA-N	400.547	5.128	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC2CCCCC2)cc1	604526224	SEGYACWELCMEFW-UHFFFAOYSA-N	421.541	5.198	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1cccnc1	609078556	YPNXFTBHGMAIKU-SFHVURJKSA-N	400.482	5.066	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)sc2c1	609149168	JBSPAGNRTDOQHO-UHFFFAOYSA-N	423.950	6.034	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1	609387369	ZCDLUCBVEBPKFV-JKSUJKDBSA-N	422.579	5.501	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cnn1-c1ccc(F)cc1	609426854	MSLMVHIDDZCXIT-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CSc4ccccc43)c2)cc1	609814926	IQSUMXAUJFVKPD-QFIPXVFZSA-N	400.503	5.160	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(-c3ccccc3)ns2)o1	609855025	FUOPJSVWZPEAPT-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)cc1F	611050089	JJKPRBJIZSIVMS-FQEVSTJZSA-N	405.404	5.608	30	20	HKED	
O=C(Nc1ccccc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618539760	PHPUEOVNUHGCGC-RKDXNWHRSA-N	408.264	5.300	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1Cl	619770640	JHANRNBUDJSPJX-CQSZACIVSA-N	424.751	5.082	30	20	HKED	
O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642158315	QNTIHWONWNWULF-ITGUQSILSA-N	421.303	5.274	30	20	HKED	
C=CCn1c(Sc2ncnc3scc(-c4ccc(F)cc4)c23)nnc1C1CC1	669624498	MNTBYLFKRUSJGQ-UHFFFAOYSA-N	409.515	5.304	30	20	HKED	
N#C[C@@H](C(=O)c1csc(C(F)(F)F)n1)c1nc2cc(C(F)(F)F)ccc2s1	671278841	CBWUFLNFLFXPJX-ZETCQYMHSA-N	421.347	5.280	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(OCC)cc2)cc1OC	672818107	NYHTXJQXHAPYOI-HNNXBMFYSA-N	420.347	5.272	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1	682777367	OUSXASLEDNYBSV-HXUWFJFHSA-N	417.597	5.986	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)cs1	726321142	BALIZFBYVXVPIK-OAHLLOKOSA-N	401.318	5.926	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2ccccc2)c1	726572616	DRWARFYTLIZHLR-UHFFFAOYSA-O	411.550	5.158	30	20	HKED	
N#CCOc1cccc(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)c1	729947140	KUGOXXKKGHLQFS-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)cc1	730210089	ZVQKKPBIDPQFRL-UHFFFAOYSA-N	419.456	5.061	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1	730688551	YWJMFEQKQGRLEC-GVDBMIGSSA-N	413.329	6.097	30	20	HKED	
COCCOc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3C#N)c2)cc1	731320317	VGMRTTBFANXILK-NTEUORMPSA-N	413.473	5.059	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731961930	DSWWSHMUPUMJDS-BVZFJXPGSA-N	418.562	5.612	30	20	HKED	
CCC(CC)(NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)c(Cl)c1	731989557	KGVULVAJDLERKI-UHFFFAOYSA-N	405.325	5.270	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(F)c1	732495480	BEHAYYIGZFLHJH-OCOPJHETSA-N	404.388	5.734	30	20	HKED	
Cc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1Oc1cccnc1	732713665	JWIAHCFXDFCUEH-FYJGNVAPSA-N	415.518	5.691	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)NC(C3CC3)C3CC3)cc2Cl)c1	734759277	MREPADANDBXAEV-UHFFFAOYSA-N	411.958	5.266	30	20	HKED	
C=CCCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1	735414090	DKLQEDNPEUEURX-QNGOZBTKSA-N	408.523	5.147	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3cnc(C(C)(C)C)s3)cc2c1C	736434448	SQMLDJBUXBFRCT-SREVYHEPSA-N	400.525	5.041	30	20	HKED	
CC(C)n1ncc2cc(/C=C3\Cc4ccc(OC(F)(F)F)cc4C3=O)c(Cl)nc21	737448756	JCCLKUQPAWITDN-WUXMJOGZSA-N	421.806	5.387	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccco1	743294495	LIEZRSAXNAPASO-GOTSBHOMSA-N	416.525	5.140	30	20	HKED	
Cc1noc(C(F)(F)F)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	746015450	XJPKQGLFGXTOPX-UHFFFAOYSA-N	406.204	5.292	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)C1CCCCC1	746210442	XPMQBOFCLOHEKL-DEOSSOPVSA-N	405.542	5.038	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC	749452134	NJPCFZOESQSAPE-PIZKADEWSA-N	406.425	5.379	30	20	HKED	
CC(=NNc1c(F)c(F)nc(F)c1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750922311	LLYRUNCJFRHTAJ-UHFFFAOYSA-N	419.222	5.512	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(OC)cc1	752482810	JSHGYNZIHVVTBV-IIBYNOLFSA-N	420.534	5.587	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1	756500924	KOXZELWHSZTZHA-UHFFFAOYSA-N	421.541	5.219	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cc1	757818255	JJCRNYWKMBMSFG-RPWUZVMVSA-N	423.516	5.910	30	20	HKED	
N#CCc1ccnc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1	764205663	IPLIUHVVPDTZKY-UHFFFAOYSA-N	416.531	5.302	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(N2CCOC2=O)cc1	764432321	LEYSXKCGSOCSQD-RZNTYIFUSA-N	417.436	5.257	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(O)(c2ccccc2Cl)CC1	765389190	LOOALLXBLHOZEL-UHFFFAOYSA-N	412.961	5.707	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1	767189485	OOBJUTKFCGGDIQ-KRWDZBQOSA-N	406.576	5.612	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](c4c(F)cccc4F)C3)cn2)cc1	769227734	JDRXREFJMIBVIV-MRXNPFEDSA-N	420.419	5.045	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@@H](c2ccccc2)c2nccs2)cc1OC	770184708	GFRYHSJKLLWXGE-HLXJENQHSA-N	407.491	5.063	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1OCc1cccc(C#N)c1	775835740	IUBGOIFMMKHUCT-LJQANCHMSA-N	415.537	5.063	30	20	HKED	
Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(COc2ccccc2C#N)o1	778279219	DOYHZGDLQTZEGV-UHFFFAOYSA-N	404.491	5.181	30	20	HKED	
CC[C@@H](C#N)SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1cc(C)cc(C)c1	780332056	KKJRWKUUMWKSHJ-GAASDFDMSA-N	405.523	5.091	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCCSCc1cccc2ccccc12	780680475	FCDVWYXMWYSWIN-QGZVFWFLSA-N	405.523	5.186	30	20	HKED	
CCN(C(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1	790767065	HOXPDNOARLQPIQ-SFHVURJKSA-N	421.541	5.448	30	20	HKED	
COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(Cl)c1	794752630	XAWRSXZATWASIT-UHFFFAOYSA-N	413.717	5.085	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](OC(C)C)c3ccccc3)n2)cc1	796777164	ZAYXXPXKGOHGRH-UGKGYDQZSA-N	406.507	5.161	30	20	HKED	
N#C[C@@H](C(=O)/C=C\Sc1cc(F)ccc1F)C(=O)Nc1cccc2ccccc12	797942617	HKVFEJQGFADKFR-MQNTZWLQSA-N	408.429	5.071	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)n1	802031473	FKZLUEYPEIPLBR-PKOBYXMFSA-N	417.317	5.755	30	20	HKED	
CCOc1ccc(OCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915086878	NLFMOJMGIRLEOZ-VWLOTQADSA-N	414.505	5.538	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccccc1Cl	916908246	GJIMAEVJPSLSDI-INIZCTEOSA-N	410.832	5.019	30	20	HKED	
N#C[C@H](C(=O)CCn1c2ccccc2c2ccccc21)C(=O)Nc1ccccc1Cl	916910504	HUFHKOAMCSYQAY-GOSISDBHSA-N	415.880	5.186	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	916922591	HDTBOVBUACNCFB-SJORKVTESA-N	424.566	5.259	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(Br)c1)c1nc2cc(Cl)ccc2s1	917046407	JSACGIOZDMEYGA-CQSZACIVSA-N	419.731	5.521	30	20	HKED	
Cc1ccc(C)n1-c1ccsc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917430055	CZEJOCZRERVAEJ-CQSZACIVSA-N	410.449	5.391	30	20	HKED	
CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1C	920424659	GMTROXSESKDCHR-WSLHGYQHSA-N	419.569	5.415	30	20	HKED	
COc1ccccc1CN(Cc1ccc(C#N)cc1Cl)c1ccc2nc(O)[nH]c2c1	1615984047	JUSZOSPQYLIZHV-UHFFFAOYSA-N	418.884	5.009	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)s2)[nH]n1	1819553447	HVHGETUKEJTCOV-QGZVFWFLSA-N	414.575	5.078	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1	1821922757	ACKUSKUZAHNCPI-PXNSSMCTSA-N	414.594	5.221	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1828829674	KXVFZVLPSDAGKQ-UMFSSWHCSA-N	412.618	5.121	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[C@@H]2C)CC1	1829066590	KVYHAFMYKQVXOC-ILWGZMRPSA-N	402.623	5.035	30	20	HKED	
C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(C#N)cc1	26131870	XGGYINLZWASPLX-AWEZNQCLSA-N	424.426	5.131	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CSc3nc4ccccc4o3)c2)c1	32288511	SNIITJOIZHDILF-UHFFFAOYSA-N	415.474	5.009	30	20	HKED	
C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161976	SYNJDUFWBJXZSY-SFHVURJKSA-N	417.484	5.696	30	20	HKED	
C[C@@H](SCC(=O)N(CCC#N)c1ccccc1)c1ccc(OC(F)(F)F)cc1	65280413	ABVNKAWYBYLQNR-OAHLLOKOSA-N	408.445	5.326	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc(C(C)C)no1	97120437	VXGDVDSTTXFDFN-CYBMUJFWSA-N	419.938	5.056	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1	109554015	TURPLHQVWQNCSC-UHFFFAOYSA-N	422.488	5.289	30	20	HKED	
CC[C@H](C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	115252072	JWXXVMAJRJVCMX-YFKPBYRVSA-N	416.202	5.017	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(OC(F)F)cc1	237597405	WUHMXKVFFSNWOB-KRWDZBQOSA-N	408.448	5.589	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c(F)c2)cc1	303288746	LZLQGTNBXKDMNX-MRXNPFEDSA-N	420.509	6.005	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C/C(=O)c3c(Cl)nc4sccn34)c2)c1	303912632	NCOCYSCQTMYOGF-BQYQJAHWSA-N	419.893	5.396	30	20	HKED	
COc1cc(Br)cc(C)c1NC(=O)c1sc2ccc(C#N)cc2c1C	431388909	WBSLWBIOIJBRMR-UHFFFAOYSA-N	415.312	5.413	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(CN3CCCCC3)c2)c2ccccc21	434961105	BTHDEAXWZUAHEN-UHFFFAOYSA-N	400.526	5.183	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3cccc(Oc4ccnc5ccccc45)c3)CC2)c1	435361942	AOGWFYOTRKSZHV-UHFFFAOYSA-N	405.457	5.569	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2coc(Br)c2)cc1F	437464372	CHGMLNUNOVYYGX-UHFFFAOYSA-N	401.191	5.097	30	20	HKED	
CCn1ncc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c(C)nc21	440413248	HOGCAJLYYNNCDI-OAHLLOKOSA-N	421.570	5.096	30	20	HKED	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	445242143	SPEORLZMFKRBEU-UHFFFAOYSA-N	403.486	5.035	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CCOc3ccccc32)c1	460336475	ALHFISWGXNITEN-JOCHJYFZSA-N	402.881	5.311	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cn1	467075009	XOIDAWJMJGYMPQ-QGZVFWFLSA-N	401.775	5.306	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)ccc21	467191881	PPODBMMCBZUZER-CQSZACIVSA-N	408.433	5.124	30	20	HKED	
O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N(CCC(F)(F)F)CC(F)(F)F	468531605	WWIMZWOKAXBPOO-RYUDHWBXSA-N	407.276	5.152	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H](c1ccccc1)C2	469766625	CZRAANJKTXMSRO-CJAUYULYSA-N	411.505	5.137	30	20	HKED	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccccc1C#Cc1ccccc1	473634883	AHKSDJQZRHHDMK-HZAQMHFWSA-N	416.546	5.049	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc2cccc(F)c2o1	475702504	OTVGXQRVHGFWPR-CABCVRRESA-N	411.502	5.255	30	20	HKED	
C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1c(F)cccc1Cl	478379833	PZSWNOFODPAGIV-QMMMGPOBSA-N	406.729	5.066	30	20	HKED	
CC(C)c1csc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	478720982	JJRDSHQDUNUPQF-UHFFFAOYSA-N	407.564	5.360	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1	478808653	YBTWPKICTSSYBO-INIZCTEOSA-N	424.467	5.212	30	20	HKED	
C=C(C)[C@@H](NCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccc(F)c(F)c1	481602266	SQFMMJALZBITQQ-GOSISDBHSA-N	410.251	5.729	30	20	HKED	
C=CCn1c(Sc2ccc(C(C)=O)cc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1	481841213	QNHDJQLPTXVDKW-UHFFFAOYSA-N	414.874	5.047	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c2c1	483191759	BWNRSQYYSGADBM-HXUWFJFHSA-N	415.456	5.039	30	20	HKED	
Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	483433916	CNEUIVGEGUWACU-UHFFFAOYSA-N	410.930	5.278	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C(F)(F)F)c1	483436422	SWANQLISVJRNKF-DOTOQJQBSA-N	420.500	6.622	30	20	HKED	
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	487268862	ZCQIGCPCXPPYPM-DJJJIMSYSA-N	416.399	5.313	30	20	HKED	
CCOc1ccc(-c2nc(CNc3ccccc3SC[C@@H](C)C#N)cs2)cc1	487382107	UKCRDSFRJLCXNN-INIZCTEOSA-N	409.580	6.073	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccccc1C	488881292	NVDZZVBUEQHJRF-HXUWFJFHSA-N	424.545	5.334	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccccc1	489804534	BCDMGMJWQQOMOY-JOCHJYFZSA-N	403.482	5.290	30	20	HKED	
COc1ccccc1[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccco1	494081247	XXKLNEQTZILCRJ-ZHRRBRCNSA-N	421.522	5.594	30	20	HKED	
C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(OC(F)(F)F)c1	502177384	MSWGNNFMTFKMSD-OAHLLOKOSA-N	415.415	5.017	30	20	HKED	
Cc1c([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cnn1-c1ccc(F)cc1	504604902	FLKMTHUIPTXCLI-OAHLLOKOSA-N	405.477	5.004	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1	505010105	BNACWKQUBUFUPU-QFIPXVFZSA-N	416.525	6.004	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	508244484	ZAXSMANLVVRIOG-UHFFFAOYSA-N	419.506	5.641	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OCCCC)CC1	508491478	GJPCDVGWODNKAK-KRWDZBQOSA-N	418.969	5.043	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3F)s2)c1	509155974	TVZXIMKBEOOWJG-UHFFFAOYSA-N	411.889	5.528	30	20	HKED	
CC(C)CCOc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1	509239182	XWXAUCISQZSNRY-UHFFFAOYSA-N	407.514	5.058	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C(C)(C)C)n1	510921088	OCWSSYFDKLRALV-UHFFFAOYSA-N	422.916	5.074	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1OC	513314826	PIXGAGBYPFBVQB-KRWDZBQOSA-N	400.478	5.124	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1oc2c(c1C)C(=O)CCC2	514425293	SURIUMAOLMLCTK-UHFFFAOYSA-N	416.452	5.273	30	20	HKED	
CC(C)c1ccc(-n2c(SC[C@@H](C#N)CCC#N)nc3ccccc3c2=O)cc1	515308343	CMNWTEGBDNBOBQ-QGZVFWFLSA-N	402.523	5.045	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	517473685	JIPOQGCBZYJPPZ-XMSQKQJNSA-N	423.582	6.096	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCCc3ccc(OC(F)F)cc3)cc2)cc1	520323618	OIIXUKUQXSKQSU-UHFFFAOYSA-N	422.431	5.119	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c1	521092296	RGNANPWZAZCBFR-UHFFFAOYSA-N	412.480	5.357	30	20	HKED	
COCCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	521208936	JMNZWHWCXQXTCY-UHFFFAOYSA-N	415.493	5.074	30	20	HKED	
C[C@@H](NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc(C#N)cc1	521572371	ORFIKCOLFCEJRU-QRQCRPRQSA-N	408.473	5.547	30	20	HKED	
CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1SC[C@@H](C)C#N	521720696	WNFRJNXRZIUROD-AWEZNQCLSA-N	416.930	5.202	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCOc4ccccc43)cc2Cl)c1	524455478	XGAXEWARTWSNNY-FQEVSTJZSA-N	418.880	5.295	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl	525415957	DRORPVYVPPZMIO-IGCXYCKISA-N	403.910	5.408	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)s1	525650438	XFNQYELEGFOUQT-UHFFFAOYSA-N	403.935	5.463	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)ccc1NC(=O)c1cccs1	534716341	IWOGYRJITKFQRS-OAHLLOKOSA-N	409.536	5.379	30	20	HKED	
N#C[C@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1	538481987	ATJVLBZYLVNBLT-OAHLLOKOSA-N	405.866	5.609	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	538526730	XQQUGVPFSJEGEH-PGRDOPGGSA-N	412.505	5.629	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)nn1CCC#N	539718545	VBZALYOXIKLCBH-INIZCTEOSA-N	407.905	5.308	30	20	HKED	
COc1ccc(Cl)cc1[C@H](CC(C)C)NCc1nnc(-c2cccc(C#N)c2)o1	540414241	MKDOMUSDRFLSJN-IBGZPJMESA-N	410.905	5.147	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1nc(C(C)(C)C)cs1	541656695	WGIRVBXTEJQKST-LSDHHAIUSA-N	416.616	5.124	30	20	HKED	
CC(=O)Nc1ccccc1-c1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1	544921739	FLWDYOFKGNPPRE-UHFFFAOYSA-N	412.474	5.385	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1	549053393	JJCBOZSFXYEPIV-UHFFFAOYSA-N	417.513	5.100	30	20	HKED	
N#Cc1ccc(CN(C(=O)NCc2cccc(OCc3ccccc3)c2)C2CC2)cc1	551147934	KWPPWJMCLNFOQP-UHFFFAOYSA-N	411.505	5.011	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C1CCC(OC(F)F)CC1	552508604	UZLVHLMGGPNMDO-UHFFFAOYSA-N	417.321	5.086	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	553330155	ZDMGWDCAXXYLIN-OALUTQOASA-N	423.469	5.180	30	20	HKED	
CC(C)(C#N)CCSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1	553376860	DGMNSUWQJKIIMU-UHFFFAOYSA-N	418.353	5.668	30	20	HKED	
Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	554399969	MMDJIACXXKAOBR-TZIWHRDSSA-N	419.916	5.002	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccc(C)cc2)C1	558676235	FCFFHMRHJMCBSC-HJOGWXRNSA-N	414.553	5.012	30	20	HKED	
Cc1c(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)sc2ccc(C#N)cc12	560298237	NCWNDTRBOIEAFE-NRFANRHFSA-N	417.921	5.649	30	20	HKED	
CN(C)Cc1ccc(-c2ccccc2CNCc2ccc(C#N)cc2C(F)(F)F)cc1	562078766	XLWNXCLIRWVQAT-UHFFFAOYSA-N	423.482	5.595	30	20	HKED	
Cc1ccc(NCc2ccc(Br)cc2C#N)cc1OCC1CCOCC1	570199237	OOSXUMYMYYMJAT-UHFFFAOYSA-N	415.331	5.047	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(C#N)cc1Cl	574049466	LXFHCESMUDEABL-UHFFFAOYSA-N	405.763	5.446	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2ccncc2)cc1	581101538	LQRNWGPPICQPPX-KRWDZBQOSA-N	402.523	5.465	30	20	HKED	
N#CCCCCCC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	588271205	DXENXTGMAMASDY-UHFFFAOYSA-N	415.371	5.550	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccccc3C(F)(F)F)n2)cc1	589196263	MOBKOIUBZNGDBE-HOTGVXAUSA-N	413.424	5.443	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2sc3c(c2C#N)CCCCC3)s1	602775198	JKARJLTZUSBXTD-UHFFFAOYSA-N	413.593	5.563	30	20	HKED	
CCc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)cnn1-c1cccc(Cl)c1	603514286	JUUNMTBFILDZAJ-UHFFFAOYSA-N	410.930	5.152	30	20	HKED	
COc1ccc(C)cc1CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	603533198	SKZFVBLCJPHPQU-UHFFFAOYSA-N	402.469	5.099	30	20	HKED	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	603969835	YCPUROQOHAWCMP-AWEZNQCLSA-N	421.547	5.364	30	20	HKED	
N#Cc1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)sc2c1-c1ccccc1CC2	603990892	CGJYVPPLTFMVGK-UHFFFAOYSA-N	421.503	5.024	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1	604075904	AJDFPFJOYFBLIT-OAQYLSRUSA-N	410.304	5.454	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1	604104490	UGYLJOWVBQJPKN-JOCHJYFZSA-N	424.331	5.796	30	20	HKED	
CCCCN([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	604493731	FZTJYHBRVDDIQW-OAHLLOKOSA-N	410.461	5.129	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)cc2)cc1	608840598	ADQXPLNCQGYWCD-DNQXCXABSA-N	413.477	5.392	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	609054871	PFBYBOGYPXEION-CQSZACIVSA-N	414.383	5.240	30	20	HKED	
N#C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1	609172415	ZSNJBMIXAKQPBS-QHCPKHFHSA-N	420.509	5.019	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	609188311	HWTOMVWDDJLFEF-UHFFFAOYSA-N	416.525	5.504	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	609376683	HUBQFZZIZCVKPM-ZDUSSCGKSA-N	424.507	5.222	30	20	HKED	
COc1ccc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1	609468747	OIKVLEWQBKOWAG-UHFFFAOYSA-N	413.477	5.478	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)ccc21	609764169	USUISDWHRFVGTL-UHFFFAOYSA-N	410.477	5.728	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(Cc2cccc(OC)c2)C[C@H]2CC[C@H]1C2	609785948	UKHZJQRMHRDRNX-RCSBWOJUSA-N	414.549	5.131	30	20	HKED	
CCOC(=O)c1ccccc1N(CC)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	609834915	SASJHCCRKJHFFX-UHFFFAOYSA-N	414.461	5.194	30	20	HKED	
COCCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1	610357743	SJMVHALLXFATCA-HOTGVXAUSA-N	419.447	5.057	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1	610863410	QQMOTHNRGVDRMK-HXUWFJFHSA-N	417.925	5.210	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCc2c(Cl)cccc21	611411266	VDGHUPJFBSLCPB-IBGZPJMESA-N	403.869	5.376	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)nc1)c1nc(-c2ccc(Cl)cc2)cs1	613319682	JJYLNIPCPOYVCH-CYBMUJFWSA-N	407.804	5.367	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	613392579	VCXOKVJCMVCGTN-QGZVFWFLSA-N	419.506	5.871	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	613404939	XFGSCMYOLFHOKQ-LBPRGKRZSA-N	414.330	5.824	30	20	HKED	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	620696896	WDXZQWBMUGGWEG-DTORHVGOSA-N	411.239	5.047	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726074271	PAICBBDXPGPDRW-HXUWFJFHSA-N	405.448	5.674	30	20	HKED	
COc1ccc2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2c1	728006687	XYWDWNDPVMKQIO-UHFFFAOYSA-N	423.472	5.255	30	20	HKED	
N#Cc1cc(NC(=O)CCCCCCCC(=O)Nc2ccc(F)c(C#N)c2)ccc1F	729830669	DGVGYDXOBXJDAO-UHFFFAOYSA-N	424.451	5.016	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1	730954819	LJWLFILQIFIIMI-QGZVFWFLSA-N	419.575	6.540	30	20	HKED	
Fc1ccc(NN=C2CCCc3nc(-c4ccc(Br)cc4)sc32)nc1	731319723	TXMQTUSJQBWUDI-UHFFFAOYSA-N	417.307	5.259	30	20	HKED	
O=S(=O)(Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1)c1ccccc1	731936873	BMHFFSLMCUYRSQ-UHFFFAOYSA-N	420.317	5.424	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](c2ccccc2)c2cccc3ccccc23)cc1	732230160	FHLJUQLUOXSGKK-NDEPHWFRSA-N	405.545	6.069	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2ccc(Cl)cc2Cl)ccc1OC	733209437	SHMCDFIKPFQBKC-AWEZNQCLSA-N	424.353	5.170	30	20	HKED	
N#CCOc1ccc(Cl)cc1Cn1cc(Br)c(-c2ccc(F)cc2)n1	735303111	LNAYWPDBYIRCKF-UHFFFAOYSA-N	420.669	5.056	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(Oc3cnccn3)c2)c1	736478979	MYRCTNKRDRGXLR-UHFFFAOYSA-N	411.486	5.159	30	20	HKED	
CCN(CC)c1ccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	740002540	RBVOAHDFCXSHIC-FICVDOATSA-N	414.409	5.671	30	20	HKED	
COc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)cc1Br	740014179	NNJASDJQVCWRKV-UHFFFAOYSA-N	413.340	5.348	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)ccc2c1	741448347	VNLVSKXZFHAKTB-VIZOYTHASA-N	420.530	5.461	30	20	HKED	
CSc1cccc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2cc(F)ccc2F)c1	742384550	IAMCGDRTPHZIIV-FYSMJZIKSA-N	424.516	5.857	30	20	HKED	
N#Cc1ccccc1N1CCC(NC(=O)c2cc3sc4ccccc4c3s2)CC1	747336797	WFCLIROHTPIFFJ-UHFFFAOYSA-N	417.559	5.386	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cccc2Br)cc1	749322459	FHWGIEHVEOLAKD-KRWDZBQOSA-N	409.258	5.496	30	20	HKED	
C=C(C)[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)OCC	756515253	LHMONZLKSYBAOH-KSSFIOAISA-N	409.338	5.664	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(SC)c(Cl)cc2Cl)c1	760537551	JAIPWUTWRONXDN-CYBMUJFWSA-N	409.338	5.326	30	20	HKED	
COc1cc(Cl)c(/C=C\C(=O)c2cc(Br)ncc2F)cc1Cl	762426260	OTJXQLPNESYOTJ-IHWYPQMZSA-N	405.050	5.195	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1	764831256	INIMXHLNJXYLKM-RTWAWAEBSA-N	411.288	5.321	30	20	HKED	
CC(=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl)c1ccc(C(C)(C)O)cc1	767368176	PMDCEBNCQNDIBR-UHFFFAOYSA-N	421.353	5.040	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CO2	770847640	FUKKEJBITBBEFD-GJZGRUSLSA-N	410.445	5.058	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc3c(ccc4ccccc43)o2)ccc1OC	776164748	KEHPMNVPCJHGIV-FXAWDEMLSA-N	414.505	6.126	30	20	HKED	
C=CC[C@@H](C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	778429455	OANJZFWIOPTGRE-OAHLLOKOSA-N	403.265	5.447	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Br	780676123	JKNFQFJMEWCKIU-KBXCAEBGSA-N	414.303	5.109	30	20	HKED	
CC(C)(C#N)CCCOC(=O)CSc1ncnc2scc(-c3ccccc3)c12	780851159	OHXHKPBLCSXDEP-UHFFFAOYSA-N	411.552	5.324	30	20	HKED	
CN(CCC#N)c1ccc(CNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1	791005298	SHEYOCJJTBYBHQ-UHFFFAOYSA-N	407.867	5.488	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cccc(OCCCC#N)c1	793116707	IGYRQUPCFBCXPC-UHFFFAOYSA-N	409.486	5.277	30	20	HKED	
COc1cccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	796757381	XEAPKIOMHJMQAV-MRXNPFEDSA-N	412.898	5.188	30	20	HKED	
COc1cc(Br)ccc1CCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797570397	GEEBMDSWESDEKJ-CQSZACIVSA-N	421.360	5.021	30	20	HKED	
CC(C)(C)OC(=O)Nc1ncc(C=NOCc2ccc(C(F)(F)F)cc2)s1	799884545	GSXYZHQIMJCAJC-UHFFFAOYSA-N	401.410	5.060	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F	800593219	BBHYQPBSZWJHMI-LBPRGKRZSA-N	411.355	5.092	30	20	HKED	
C#C[C@@H](NC(=O)c1ccccc1SCc1cc(C)no1)c1ccc(Cl)cc1F	804414483	MAQRLMPWZFXZIR-LJQANCHMSA-N	414.889	5.172	30	20	HKED	
O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1csc(C(F)(F)F)n1	809128443	VMKXFWGGDWNDQV-VIFPVBQESA-N	423.256	5.641	30	20	HKED	
Cc1cccc(C)c1-c1cccc(OC(=O)CCc2c(C)nn(CCC#N)c2C)c1	811219870	LWNMXCUJWPHAPP-UHFFFAOYSA-N	401.510	5.236	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1cc(C)sc1C)[n+]1cc(O)cc(-c2ccccc2)c1	811722718	PNBYWQATIPICOK-UHFFFAOYSA-O	423.583	5.012	30	20	HKED	
C=C(C)CN1C(=O)/C(=C\c2ccc(OCc3cccs3)c(OC)c2)SC1=S	814292187	PPPAIYWHGZCKSR-VCHYOVAHSA-N	417.577	5.113	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	816016450	QPKYIUFUVDOGTA-CYBMUJFWSA-N	400.356	5.509	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	914519947	CVVLFATWHHPHQU-MDWZMJQESA-N	415.424	5.161	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2cc(C)nc(C)n2)cc1	915103460	WIZFLHJUEIMFLY-QFIPXVFZSA-N	424.504	5.059	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)OCc2csc(-c3ccc(C)o3)n2)cc1OC	915233794	FEUPXXRYQCARHQ-YFHOEESVSA-N	411.479	5.042	30	20	HKED	
O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1OC(F)F	916140453	VBUZSEXSMQCHHF-GHXNOFRVSA-N	409.432	5.174	30	20	HKED	
COc1ccccc1/C=C/C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl	916333826	WAMMNXNVMMBVFN-GLKACGEWSA-N	405.310	5.097	30	20	HKED	
C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	916915785	JQMSVXDHMKKRAT-IFXJQAMLSA-N	408.910	5.321	30	20	HKED	
Cc1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1	916927829	CWQUAXSKFFVVPV-AWEZNQCLSA-N	407.322	5.050	30	20	HKED	
C=CCN(Cc1ccccc1F)Cn1nc(Nc2ccccc2OC)sc1=S	918182923	YLPHWNXDLWVPAO-UHFFFAOYSA-N	416.547	5.211	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(C(C)C)cc3)n2)cc1	920141897	IPBDDWSUHMJXTM-OAQYLSRUSA-N	404.535	5.751	30	20	HKED	
CN(C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)c1cccc(C#N)c1	920346271	TVRKKTPDQSGNBQ-UHFFFAOYSA-N	420.497	5.660	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cccc(Cl)c2)nc1O	1264440066	QLGOTSFCDIHBAJ-UHFFFAOYSA-N	419.912	5.278	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CCC1	1790226620	FOIFWOMSZYUZAT-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3SCC)CCC2)cc1	1791249405	SQRYDAVWCBBTQH-KRWDZBQOSA-N	423.582	5.154	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816693699	NVJJJGGATAYGES-FQEVSTJZSA-N	414.594	5.365	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(Br)c1	15316189	CBXDXNPGENRHKT-UHFFFAOYSA-N	423.335	6.033	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1C1CC1	32324830	SMKFUJVHMQMUNH-INIZCTEOSA-N	424.492	5.116	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)s1	303256252	CAMLEVARSCKDLV-INIZCTEOSA-N	405.523	5.044	30	20	HKED	
C[C@H](c1ccccc1)N1CC(=O)N([C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1=O	432080338	NZDVGZDABQBQSJ-RTBURBONSA-N	409.489	5.312	30	20	HKED	
CC(C)Oc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1C#N	435358114	MLWZBNFNTKCRPQ-UHFFFAOYSA-N	409.873	5.225	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	435738903	UOHZCMAYBPMKDF-KKSFZXQISA-N	419.352	5.317	30	20	HKED	
CC(C)C[C@@H]1COCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437737603	PBNLQMZFCYIWLS-CTNGQTDRSA-N	411.933	5.274	30	20	HKED	
N#CCC[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccccc1	440396664	HIJILRFUKQYZJB-QGZVFWFLSA-N	414.383	5.620	30	20	HKED	
C=CCC[C@@H](NC(=O)c1sc([C@@H](C)OC)nc1C)c1ccc(C(F)(F)F)cc1	441554871	WSKXBPVOJFAUTG-CZUORRHYSA-N	412.477	5.615	30	20	HKED	
C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1cccc(C#N)c1	442911032	YEJUAZJDHSAZBH-AWEZNQCLSA-N	410.930	5.570	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c2ccccc21	444338413	HTFJBSLXBFMOGN-UHFFFAOYSA-N	411.490	5.193	30	20	HKED	
Cc1cccc(C)c1NC(=O)Cc1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1	445311983	DJXGIAGKRJNWGI-UHFFFAOYSA-N	424.460	5.199	30	20	HKED	
CCC[C@]1(COC)CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	446112753	RBDDPFMTKSOCDR-RUZDIDTESA-N	421.541	5.259	30	20	HKED	
Cc1sc([C@H](C)NC(=O)Nc2ccc(CC#N)cc2)nc1-c1ccc(Cl)cc1	446939966	QWQYEMGVEJWQBR-ZDUSSCGKSA-N	410.930	5.721	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)c2)cc1	462244532	HCHLSIKTWFGYOG-QPPBQGQZSA-N	413.477	5.392	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1	462499266	GVOIARIQGKHIOV-UHFFFAOYSA-N	412.873	5.763	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)c(F)c3)c3cnn(C(C)C)c3n2)c(C)o1	464649806	REIIWTZVCFZVGF-UHFFFAOYSA-N	417.444	5.152	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1	467081237	YJUQDMMWBJGQSI-QGZVFWFLSA-N	417.440	5.640	30	20	HKED	
CCN(CCCN1CCCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	472348062	YXILYMORLZRENL-JOCHJYFZSA-N	424.976	5.335	30	20	HKED	
CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	475612150	MUYXKQCIKJWSSM-UHFFFAOYSA-N	418.522	5.350	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)ccc1I	476084397	GXTFHHXFDXWHCO-UHFFFAOYSA-N	419.306	5.704	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1c(F)cccc1I	476123662	WOMXPMDPRVBUBU-UHFFFAOYSA-N	423.269	5.535	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](c1cccs1)C(C)(C)C	476363070	HBJSMDXXLVPUCB-YWZLYKJASA-N	401.601	5.315	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1F	477844181	UBWTYOWIEVKZTP-CYBMUJFWSA-N	421.280	5.755	30	20	HKED	
C=CCc1cc(CNCc2nc(-c3cc4ccccc4o3)cs2)cc(OC)c1O	479412166	BZEGHLMRLVRZPY-UHFFFAOYSA-N	406.507	5.289	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCCc2cccnc21	480563115	JVTHBZAALVPQFL-FXAWDEMLSA-N	408.571	5.797	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2o1	481946422	XDTVHYNPKJXVGF-LSDHHAIUSA-N	411.552	5.655	30	20	HKED	
CN(C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC1	482343908	IOKMIQDWTPSWLB-LLVKDONJSA-N	408.264	5.131	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	482901495	SFRACKVUASJVKD-HNNXBMFYSA-N	410.499	5.043	30	20	HKED	
N#CCCC[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1	487208493	JHJNTEJNJGCYJA-FQEVSTJZSA-N	409.942	5.557	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc(SC)c(OC)c3)o2)cc1	489797139	ZSLUPMXDWJIZTM-UHFFFAOYSA-N	400.525	5.324	30	20	HKED	
COc1cccc(C[C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	497776103	JWYXCBVGQZZZHS-QGZVFWFLSA-N	401.466	5.112	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccn2)c1	499890291	UDXSFULTOFGSKQ-JPYJTQIMSA-N	416.550	5.695	30	20	HKED	
C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1nc(-c2ccccc2)cs1	502305442	SZYMVDWKAQHSCO-QGZVFWFLSA-N	414.534	5.242	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCCc1ccc(Cl)s1	504458697	RJSSUPFXRVMWIB-UHFFFAOYSA-N	408.999	5.290	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc2)CC1	505368120	ZBGHVVSMAHHNIP-MRXNPFEDSA-N	412.333	5.294	30	20	HKED	
Cc1sc(Br)c(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C	507349465	QGGLHGMCICVUDU-HZPDHXFCSA-N	403.345	5.039	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3CCc3ccccc3)s2)cc1	509648800	BIYMFVFZDCUZNS-NRFANRHFSA-N	416.550	5.235	30	20	HKED	
O=C(Nc1ccc(CCC(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510036012	TZFVXGHSJUHKJF-INIZCTEOSA-N	422.344	6.136	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	511485139	XEWSFGJANPXAOT-XMMPIXPASA-N	424.504	5.488	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccncc2)cs1	512959439	ZSBUISCLKGNTGF-HNNXBMFYSA-N	405.866	5.609	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nc2ccccc2n1C(F)F	514723276	VQDOIKBDMFJQSI-UHFFFAOYSA-N	405.495	5.440	30	20	HKED	
Cc1cc(-c2csc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)c(C)o1	518905297	PFJHFYYJOZRDSH-UHFFFAOYSA-N	416.462	5.331	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)cc1	521571712	NKDBPSDDJPRGJY-QFIPXVFZSA-N	404.510	6.099	30	20	HKED	
CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	525539019	GOEXHQINGQFCRR-UHFFFAOYSA-N	423.582	5.145	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1-c1ccccc1F	535261852	PBIFYSIJPGWGFM-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc2)cc1	536317100	OFQUWRAYMKRMJU-QFIPXVFZSA-N	404.853	5.330	30	20	HKED	
C=CCN(C(=O)c1cc(C)ncn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	536626684	YCMFCZOZPWLMQW-UHFFFAOYSA-N	405.310	5.048	30	20	HKED	
CCOc1ccc(F)c(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c1F	541475967	DVCQDNQXFVMAJE-OAHLLOKOSA-N	410.289	5.067	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(c2ncc(C)s2)CC1	549279402	JEBVVMGZHDJJBW-UHFFFAOYSA-N	418.570	5.151	30	20	HKED	
O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](c2c(F)cccc2F)C(F)(F)F)c1	549544394	MVDPLWUDLZUGAP-CQSZACIVSA-N	414.252	5.285	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)Cc1csc(-c3ccc(Cl)cc3Cl)n1)CC2	550522569	GWNVRIQVUZCNKT-UHFFFAOYSA-N	414.317	5.120	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1CCCC(F)(F)C1	551382665	NAIWZPXNXVLEMK-NSHDSACASA-N	403.313	5.508	30	20	HKED	
C=CCn1c(SCc2ccc(C(C)C)nc2C)nnc1[C@H]1COc2ccccc2O1	554969468	PEQRXQUUVJRLKK-OAQYLSRUSA-N	422.554	5.096	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCCC)c(Cl)c1	562130710	JXGVDEGCPDSQQE-UHFFFAOYSA-N	404.942	5.516	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)cc2)ccn1	573145919	AFTKACKKZQJHDC-UHFFFAOYSA-N	420.881	5.708	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCn4c(cc5ccccc54)C3)cc2)ccn1	574005594	UQTLKUJMHPHYEV-UHFFFAOYSA-N	423.476	5.138	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)s1	581458108	BQNSUGIDOAZIHR-LLVKDONJSA-N	420.325	5.465	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	591519819	QWSUMTMIVCKCNB-BQBZGAKWSA-N	408.264	5.135	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)cn2)cc1	603689229	CTRDVFIPEKPECU-UHFFFAOYSA-N	424.460	5.573	30	20	HKED	
CC(C)Oc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	603814614	OPSLSWVKYKYKKI-UHFFFAOYSA-N	400.478	5.371	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(SCc3ccccc3)cc2)c1	603972329	OPMFJXHUSZLJGM-UHFFFAOYSA-N	402.519	5.914	30	20	HKED	
N#CCCCOc1cccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1	604008871	YSEFCFZTMLSXBA-UHFFFAOYSA-N	401.466	5.212	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1	609081327	KUMZBBJYTILZQO-IBGZPJMESA-N	415.440	5.317	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2cccc(Br)c2)c1	609433185	FHMISSSSCWIBEN-UHFFFAOYSA-N	407.311	5.190	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	609434686	IWRDEVCRJDOKTA-PKOBYXMFSA-N	418.566	5.974	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1	609434718	LFLMCEQPWCMRKU-JKSUJKDBSA-N	422.554	5.312	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)c2)cc1	609641208	JIMWBATWAOHIEM-UHFFFAOYSA-N	412.464	5.206	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)n1	609646301	DJPJEIVOJHPJEX-UHFFFAOYSA-N	424.435	5.507	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)n1	609646363	GNWBWYRFFIVKEW-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C	609722965	RBPZQIGJZKGRGP-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
COc1ccccc1CSCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	609853023	QFRVMPODZQNNFA-CQSZACIVSA-N	400.569	5.015	30	20	HKED	
C[C@@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1cccc(C(F)(F)F)c1	609967993	XAUNKQUWDBQMIJ-INIZCTEOSA-N	412.411	5.897	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC(c1cccs1)c1cccs1	610019056	AGMKYUGJOPCMMM-CQSZACIVSA-N	413.593	5.972	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2[C@H]3CC[C@H]2c2ccccc23)cc1	610094956	VLQRZXGDLVBHBE-VXKWHMMOSA-N	411.461	5.783	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1	610323298	GVFMBNFSIULXMK-INIZCTEOSA-N	412.449	5.114	30	20	HKED	
CSCc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	610436157	MRAMUPDBSZWVQP-VXGBXAGGSA-N	417.390	5.328	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)cc1	611245776	OXYBUXYWNYANEC-UHFFFAOYSA-N	421.369	5.534	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cc2ccccc2o1	623596349	VPKFFFKGHLAMGD-UHFFFAOYSA-N	402.263	5.092	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1	676727401	SZZRIKAYQANQSU-VQTJNVASSA-N	420.479	5.301	30	20	HKED	
O=C(c1ccc(CCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	676874221	HHGYDWXHCQVMNN-STQMWFEESA-N	421.303	5.384	30	20	HKED	
COc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCC2)cc1	726329943	VONQXVIAYRVJTK-MRXNPFEDSA-N	424.472	5.395	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2ccc(CC)cc2)c1	726572415	DCPCHVHVJUDGIE-UHFFFAOYSA-O	413.566	5.458	30	20	HKED	
CCc1c(C)sc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1C#N	727790358	DMGLERLRNDYDPH-UHFFFAOYSA-N	412.946	5.258	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c(C)n1-c1ccc(C#N)cc1	728271193	VUMMHQNTHRIIJH-UHFFFAOYSA-N	412.415	5.192	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1cccc2ccccc12	728766999	ROLQFUAFOZTEAU-RBUKOAKNSA-N	410.395	5.223	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)c2)cc1	729160193	JKVBLGAYTVIYNI-UHFFFAOYSA-N	404.882	5.685	30	20	HKED	
CC(C)(C)n1cc(C=NNc2ncnc3sccc23)c(-c2ccccc2Cl)n1	731150646	FHWBIAJJSVMVSO-UHFFFAOYSA-N	410.934	5.409	30	20	HKED	
CCc1cccc2c(CC(=O)[C@@H](C#N)C(=O)Nc3ccc([C@@H](C)CC)cc3)c[nH]c12	731767843	NDFPHBQILHWCPP-KSFYIVLOSA-N	401.510	5.134	30	20	HKED	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	733095414	GYCSHDAUYHNVDX-FOIQADDNSA-N	408.860	5.541	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)N[C@H](C#N)c3ccccc3Br)ccc2c1	733266114	FPYQQYCVJIOPOF-FTUXVVSKSA-N	421.294	5.005	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2csc3ccccc23)ccc1OC	733649790	YXJYHHOVFIVZGW-RDJZCZTQSA-N	423.538	5.151	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)c1	733775526	YXIGLKWYFMXSMP-KSSFIOAISA-N	405.325	5.169	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccc(F)cc2)C2CC2)cc1	735171825	MNBMCWSHRINOMK-VWLOTQADSA-N	413.496	5.720	30	20	HKED	
CCCCn1c(SCc2cc(Cl)ccc2OCC#N)nc2ccccc2c1=O	735231504	VYXZREFIHWDZQB-UHFFFAOYSA-N	413.930	5.045	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c[nH]c3ccc(C)cc23)c1	735612839	VCNKDCJJBSDAFB-UHFFFAOYSA-N	419.554	5.250	30	20	HKED	
CC(CC(C)(C)c1ccccc1)=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1	735977157	XUKHLEWFULNQTK-UHFFFAOYSA-N	413.447	5.135	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1	739155650	SMLZHRRPGYCQSP-IFXJQAMLSA-N	402.416	5.109	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	739156253	MBRDJGYNWKMJKP-ZDUSSCGKSA-N	410.355	5.024	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739590306	JAQPOVYHJSPVOM-UHFFFAOYSA-N	417.465	5.319	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]3c3cccc(F)c3)c2)s1	740058690	ZGPUIGOVTSCXGN-NRFANRHFSA-N	405.498	5.473	30	20	HKED	
CC(C)c1noc(-c2ccnc(NCc3cccc(-c4ccc(C#N)s4)c3)c2)n1	742409138	TWKLROPYJCFCRJ-UHFFFAOYSA-N	401.495	5.467	30	20	HKED	
O=C(/C=C\c1cc(Cl)ccc1OC1CCCC1)c1ccc(C(F)(F)F)nc1O	742432688	DHSBZDAQIDTKRC-YVMONPNESA-N	411.807	5.677	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)ccc1OC	742716409	YPVSDLLPSZYPHV-OAHLLOKOSA-N	413.905	5.204	30	20	HKED	
CC(C)c1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(C(C)C)c1	743089059	DTVUYHNFCFYAED-UHFFFAOYSA-N	420.557	5.410	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	743093572	VWSOLJJECLWJLG-FMNCTDSISA-N	413.496	6.096	30	20	HKED	
Cc1cc(-c2noc([C@H](C)ON=Cc3ccccc3Br)n2)ccc1F	744443731	NKONLBCWWGFHJN-LBPRGKRZSA-N	404.239	5.058	30	20	HKED	
CCOC(=O)CCOc1ccc(C(=O)/C=C/c2csc(-c3ccccc3)n2)cc1	745020228	GNUKQGQZOVRURN-JLHYYAGUSA-N	407.491	5.038	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3c[nH]c4cc(F)ccc34)c2)cc1	749453609	UJPAXPSKAPNPGZ-XGICHPGQSA-N	414.436	5.464	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)n3C)n2)cc1	750396472	YBZRDLIGUWLIIA-LJQANCHMSA-N	415.493	5.753	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(Br)c1OC(F)F	750906887	SKWVUQBCESNLPE-VOTSOKGWSA-N	422.225	5.217	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1)C1CCCC1	756548290	PEBIOZDRAQPXQD-UHFFFAOYSA-N	415.990	5.476	30	20	HKED	
C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3ccccc3CC)n2)c1	756591627	XEAAMHDNKHSYLE-UHFFFAOYSA-N	403.551	5.398	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl)c1ccncc1	760171558	UDAMPDFQGHQQLW-RBUKOAKNSA-N	415.969	5.060	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(-n2cncn2)cc1Cl	764660162	PYSKVKQMTINODS-UHFFFAOYSA-N	416.099	5.112	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(OCC(F)(F)F)nc2)cc1	764927219	NNFALATXNOAFMJ-AWEZNQCLSA-N	400.828	5.005	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc3cncc(Br)c23)cc1Cl	766548395	HUSDAMLRMFYNMD-UHFFFAOYSA-N	417.719	5.331	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	767606662	CFNSFRGQJSDAMJ-GOSISDBHSA-N	422.485	5.051	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)CCc1ncc(-c2ccccc2Br)o1	768638973	PFDPVGMAGMVLKV-UHFFFAOYSA-N	419.319	5.300	30	20	HKED	
Cc1ccn(-c2ccccc2CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1	768971480	VTAKZCMZDJLSOU-DEOSSOPVSA-N	421.504	5.158	30	20	HKED	
COCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	770346521	QJJNNZMEBYQKHL-UHFFFAOYSA-N	403.438	5.150	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccccc2CC#N)cc1	776744786	BWJLEGCMYQIXFU-UHFFFAOYSA-N	406.869	5.388	30	20	HKED	
CC(C)(C)Sc1ccc(-c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)nc1	783628819	MHIYQIFITUSKLW-LJQANCHMSA-N	405.527	5.235	30	20	HKED	
O=C1/C(=C/c2cc(-n3ccnc3)cs2)CC/C1=C\c1cc(-n2ccnc2)cs1	783698320	YFDDKQICWASRCP-BGPOSVGRSA-N	404.520	5.011	30	20	HKED	
COc1cccc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1F	796902412	DLJDDLSIQLSDGN-ZDUSSCGKSA-N	416.424	5.045	30	20	HKED	
CCCN(C(=O)c1ccc(C)c(C#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F	799339378	NFUAETVAANKUML-HSZRJFAPSA-N	405.448	5.182	30	20	HKED	
O=S(=O)(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(C(F)F)cc1	805006235	ZVIUGYAWCBAEJU-AWEZNQCLSA-N	414.779	5.157	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	810529609	KNBPOWOXDCMFSW-LJQANCHMSA-N	404.491	5.129	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	811613211	ZMRZVNFMALRZFW-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1cc(C(F)(F)F)ccn1	813217545	MKVCVCRURABHJT-MAWXDTMDSA-N	418.724	5.662	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1	813245929	PBKMZOMGGMKEBX-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
C=C(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S	814290718	KXQCFGJRMKEDBY-UDWIEESQSA-N	411.548	5.052	30	20	HKED	
CC(=NN[C@@H]1CCOC(C)(C)C1)c1sc(-c2ccccc2Br)nc1C	814908362	OGWHOMOZSHXMSL-CQSZACIVSA-N	422.392	5.152	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(F)c(Br)c1	819841468	XRCYOMHERBEYNM-PKNBQFBNSA-N	412.258	5.458	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915352505	JMJXNDVEPBILOW-HSZRJFAPSA-N	423.516	6.315	30	20	HKED	
CCN(Cc1ccccc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353864	RAGKRNIMLDHCRF-QFIPXVFZSA-N	403.913	6.049	30	20	HKED	
CCOc1cc(C=Nn2c(C)nnc2S)ccc1OCc1ccc(C(C)(C)C)cc1	916305541	VLBCZNITTOZTGD-UHFFFAOYSA-N	424.570	5.033	30	20	HKED	
N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	916908772	IHCGDXLEHDBJLC-OAHLLOKOSA-N	407.322	5.213	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C(C)C)cc3)n2)cc1	920138141	AREDWAVBARGRBY-HXUWFJFHSA-N	406.507	5.197	30	20	HKED	
O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccc2oc(O)nc2c1	1648862867	SWEOCRZEMDVDLZ-UHFFFAOYSA-N	422.256	5.075	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1	1785802024	QIURLLMUEMDPQB-FXAWDEMLSA-N	416.512	5.324	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1	1792268199	BQASIQJOEFEXLM-UHFFFAOYSA-N	418.537	5.025	30	20	HKED	
C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2	1801643268	FTYAZXAKRCMRAI-AKHDSKFASA-N	416.521	5.050	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)n1	10267147	GINUBSKUIABPOS-LBPRGKRZSA-N	424.576	5.450	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(Cl)cc2)cc1	15617498	XEXYNBDCAXTJHG-UHFFFAOYSA-N	406.938	5.476	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCc2cccs2)c(OC)c1	18054437	KJJGVDFUTWMFEK-QFIPXVFZSA-N	406.507	5.088	30	20	HKED	
C=CCN/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(C(CC)CC)cc1	22687812	NUDMNPCPETWBDO-UHFFFAOYSA-O	409.619	5.716	30	20	HKED	
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1	25440073	FDGNTZXINDBFSR-UHFFFAOYSA-N	406.511	5.032	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1	30028655	SOGYMIKDJYVAEY-UHFFFAOYSA-N	401.510	5.233	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1	236600656	HZVDSIYUDJLJGY-UHFFFAOYSA-N	417.513	5.280	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1ccc(N(C)CCC#N)cc1	237502452	FCGKZOZRDZJHFF-MRXNPFEDSA-N	408.546	5.458	30	20	HKED	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccccc1-c1ccccc1C#N	248065385	RCJQRMFXXGFHMH-UHFFFAOYSA-N	409.533	5.488	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1	303341063	LNYUEYIYJZZEOX-SFHVURJKSA-N	417.534	5.924	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccccc1	431306913	HDSVRLZKUNQLHP-SLFFLAALSA-N	412.331	5.039	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)NC12CCC(C(F)(F)F)(CC1)CC2	433620561	YMOPIUAAODMLQA-NVPAJSRCSA-N	412.349	5.226	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)c1ccccc1	435746874	BMSSVDQUCMOCIN-IBGZPJMESA-N	419.525	5.179	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)cs1	437611314	CYXAZLYSJJHWNJ-IFMALSPDSA-N	402.523	5.422	30	20	HKED	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nc(C)c(SCC#N)s3)c2c1	437673185	WZVZJMHUMCYJSS-UHFFFAOYSA-N	408.552	5.362	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	437741657	DFPWWRKEVFTRBI-OALUTQOASA-N	412.331	5.370	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	439970297	VTOAXIRXPRAWIE-QTVRQTFLSA-N	404.476	5.167	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1	441536433	ARKARVVIBOZGPK-HXUWFJFHSA-N	401.432	5.426	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3SCCc4ccccc43)cc2)c1	463480201	DUKDCHYVRMXNCZ-HSZRJFAPSA-N	400.503	5.106	30	20	HKED	
CCCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	463963527	JDLMKTVJQYBHRK-UQBPGWFLSA-N	415.512	5.533	30	20	HKED	
C=CCOCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466914854	BLSUITBVQKVEMI-ZDUSSCGKSA-N	423.376	5.041	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	472436166	URRCQPBDWJKAIQ-GGAORHGYSA-N	414.461	5.110	30	20	HKED	
CSCc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F	473928708	RMNDREIPPZKHFA-KRWDZBQOSA-N	407.495	5.174	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1	476659101	KSSSLQZXIHXTAZ-MAUKXSAKSA-N	412.358	5.095	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Sc4ccccc4C#N)cc3)[nH]c12	484557547	PQYMHHDVASWADK-LJQANCHMSA-N	408.486	5.384	30	20	HKED	
Fc1ccc([C@@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)cc1	484874216	NVSFPYYYUSEZAV-MRXNPFEDSA-N	418.312	5.893	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)cc1	488391170	WPIHGTDMJPUINK-REWPJTCUSA-N	417.553	5.219	30	20	HKED	
C[C@@H](NC(=O)CSc1nc(C(F)(F)F)ccc1C#N)c1cccc2ccccc12	488734134	MKMQBHMXSMBEKS-CYBMUJFWSA-N	415.440	5.095	30	20	HKED	
C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	500731364	KPOCYTCZVSQEPP-XMMPIXPASA-N	416.550	5.191	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cc1	503496232	JSXNVMICSGJBLW-UHFFFAOYSA-N	420.472	5.543	30	20	HKED	
CC(C)CN1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	504040362	YHYPBPHOWHMUFI-QFIPXVFZSA-N	424.976	5.237	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c12	505458242	SEXBBQZCCZSXCU-OAHLLOKOSA-N	414.465	5.320	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3-c3cccs3)CC2)c(F)c1	505999882	PWCXZFPVLCKKLT-UHFFFAOYSA-N	405.498	5.281	30	20	HKED	
CCOC[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	506705731	QYMIEABROJEQAM-DYESRHJHSA-N	411.933	5.276	30	20	HKED	
O=C(NCc1ccccc1C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509237385	RYIMVXAMTMABJH-HNNXBMFYSA-N	408.317	5.337	30	20	HKED	
C=C(C)CN(Cc1csc(COc2ccc(Cl)cc2)n1)Cc1ccc(CO)o1	512148898	PQVHZVRZPHSXSE-UHFFFAOYSA-N	418.946	5.039	30	20	HKED	
CCCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1	515727379	MAZCTWFXDGXFQE-UHFFFAOYSA-N	402.519	6.059	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1OC(F)F	518268852	YDEFAFIWKVVXMP-KRWDZBQOSA-N	408.448	5.589	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)cc1	521088068	DAPHJDTVAYZNEA-UHFFFAOYSA-N	407.901	5.379	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)NCCSCc2ccccc2C#N)c1	522074988	JCEYOIHYXJGCAF-UHFFFAOYSA-N	417.534	5.289	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(NC4CCCC4)c3)o2)cc1	522760300	AQJZAXUVKKNECF-UHFFFAOYSA-N	401.466	5.337	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3nccnc3c2)c1	523959092	QQYIPZQANSKKBM-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CC(C)(C)c1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1	524454652	PUVDQIYNNASFAX-UHFFFAOYSA-N	423.513	5.212	30	20	HKED	
COc1ccc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc1C#N	525109786	IZLWEGKVPKMTDH-WUXMJOGZSA-N	418.396	5.211	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1	525532042	WQXNSDGUJRKGIQ-RBUKOAKNSA-N	414.505	5.221	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C(C)C)cc1	527229852	GRSMJPCDCRHAPL-GAJHUEQPSA-N	422.573	5.098	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	533425715	YDGYUYGUUPJCMY-ICSRJNTNSA-N	411.571	5.538	30	20	HKED	
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSC3CCOCC3)c2C#N)C1	534418449	NUUGDTMEXLMQOE-CQSZACIVSA-N	406.617	5.012	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1	540150422	HPLHFVVKWWYTPL-FOIQADDNSA-N	402.460	5.948	30	20	HKED	
C[C@@H](N[C@H](Cc1ccccc1)c1cccs1)C(=O)N(CCC#N)c1ccc(F)cc1	541596669	CTYWPUMJGBSNCS-XMSQKQJNSA-N	421.541	5.096	30	20	HKED	
N#CCC1CCN(c2ncnc3scc(-c4ccc(Br)cc4)c23)CC1	541933657	YNUHHLGJYPQKFP-UHFFFAOYSA-N	413.344	5.251	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543944619	RNZDTDCIVQAXJV-FQEVSTJZSA-N	412.537	5.346	30	20	HKED	
COc1cc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC	543962763	ITTBPCPTSBSIJI-MSOLQXFVSA-N	416.521	5.663	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1csc(-c3ccc(Cl)c(Cl)c3)n1)CC2	550154186	RFBJCAZIXQBTEV-UHFFFAOYSA-N	400.290	5.191	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)CCC(=O)c3ccc4ccccc4c3)cc2)ccn1	555079483	IMGAMVWSBNYANX-UHFFFAOYSA-N	421.456	5.500	30	20	HKED	
N#CCC1CCN(c2nnc(Cc3cccc4ccccc34)n2Cc2ccccc2)CC1	565728630	ZEUUVRMTHBQASK-UHFFFAOYSA-N	421.548	5.200	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1ccc(Br)cc1C#N	573394855	LLRLMBIGDPKMHD-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Cl)cc1	589572197	JUEKHQZCTCDCRM-JKSUJKDBSA-N	420.900	5.077	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccnc1OCc1ccccc1)c1ccccc1	590107844	HKEGGPQUIGQLNZ-OAQYLSRUSA-N	400.482	5.217	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1C	604444036	NGODOXGSNNKTAV-HSZRJFAPSA-N	412.493	5.731	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1NC(=O)CC(C)C	608553111	SJGLKAQZZOMTON-INIZCTEOSA-N	409.486	5.219	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC1(C(=O)O)CCCCCC1	609076088	JOORPNPLGIZQDN-UHFFFAOYSA-N	420.509	5.200	30	20	HKED	
N#CCn1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc2ccccc21	609161468	SITSPLRGHOEDCN-UHFFFAOYSA-N	412.415	5.036	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccccc1Cl	609371422	JUXIUPHONGOBAW-LSDHHAIUSA-N	404.988	6.167	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1	609385147	UFCSFBDELGTQMO-OXQOHEQNSA-N	413.974	5.510	30	20	HKED	
CC(C)(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(F)c1	609855490	SNMGOCXOEZAKSR-UHFFFAOYSA-N	402.469	5.387	30	20	HKED	
N#Cc1ccc(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C(F)(F)F)c1	609963475	PHSOIBUIWBACDT-IBGZPJMESA-N	419.834	5.183	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1cccc(C#N)c1	610322102	PYCSWGPLDUDEDI-OAHLLOKOSA-N	418.884	5.347	30	20	HKED	
CC(C)(C#N)CCCN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	610447989	ZZRHJBANLUMNSY-QHCPKHFHSA-N	410.606	5.505	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC(Cc4ccccc4Cl)C3)cn2)c1	610629278	AJYFRWXBEMCRMB-UHFFFAOYSA-N	418.884	5.105	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1cccc(Br)c1	610760742	UMABTAVSGKZBRM-SFTDATJTSA-N	411.343	5.070	30	20	HKED	
N#Cc1cccc(COc2cccc(CN3CCCC[C@@H]3c3noc(C4CC4)n3)c2)c1	611263554	VPGISBKZENBTCQ-HSZRJFAPSA-N	414.509	5.125	30	20	HKED	
COc1c(F)cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	615554275	LOFCUUXLHJZHED-HTQZYQBOSA-N	420.300	5.004	30	20	HKED	
CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1	619849286	ZXDYEEUGFFLSGT-HXUWFJFHSA-N	403.983	5.010	30	20	HKED	
O=C(COc1ccc(C(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622478172	WXXCJEXPNWWCKG-HNNXBMFYSA-N	409.301	5.033	30	20	HKED	
Fc1ccc(-c2ccc(CN[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)o2)cc1	642197973	LCWSXWRJGNTMNN-NHAGDIPZSA-N	409.345	6.085	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1	682777223	IJTCKFBQHUYPFS-DHLKQENFSA-N	406.570	6.170	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C(F)F	726322969	TUUOLACYRHDPOM-LBPRGKRZSA-N	408.235	5.547	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(SCc2cccc3ccccc23)sc1=S	726960704	DUGWSWXJBWCICP-OAHLLOKOSA-N	414.625	5.559	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1ccc(OCCC(=O)O)cc1	727267161	DNUKUOMDUWALOR-WCIBSUBMSA-N	411.454	5.007	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccccc2Cl)n1	727628977	ZBBOQZMTSSNASC-CQSZACIVSA-N	416.289	5.078	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1nc(-c2cccs2)no1	728062088	DAEIZZRSKFIPID-OAHLLOKOSA-N	402.479	5.422	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)c1	728537021	SXDWMTASLHLUMA-UHFFFAOYSA-N	400.478	5.445	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1SC[C@H](C)C#N)O[C@H](C)C2	730989201	IQLFYGPWZNKIIO-VEUZHWNKSA-N	422.550	5.312	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](c3ccccc3)c3cccnc3)cc2)nc1	732503546	IZHCQNXQJLCLBP-DEOSSOPVSA-N	407.429	5.087	30	20	HKED	
CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3cccc(F)c3C)o2)cc1	734304765	VYIAJNWCAXZKFQ-ACCUITESSA-N	413.470	5.052	30	20	HKED	
CCCCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	735208976	PVDKHJRMFOTRIV-FQEVSTJZSA-N	423.900	5.023	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	735320141	LPURGNXAQRGCGF-ZDUSSCGKSA-N	409.338	5.465	30	20	HKED	
Cc1cccc2c(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c12	741432696	ZQLMEOMNYIMEFA-OAQYLSRUSA-N	423.472	5.159	30	20	HKED	
CC(=O)c1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	743036970	PNSLNPJTANDAEA-UHFFFAOYSA-N	405.454	5.501	30	20	HKED	
O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CCOc2cc(Br)ccc21	743057895	VACHAOXCFROCAI-PTNGSMBKSA-N	423.266	5.080	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	744026376	XMFCCLBZNPFSFU-GKUQOKNUSA-N	406.791	5.110	30	20	HKED	
COc1ccc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c(C)c2c1	744036654	GHHDNEUTZBMVDO-QGZVFWFLSA-N	404.516	5.832	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2cc(C(F)(F)F)ccc2F)cs1	753946054	DLAWFOCJJLDCRR-UHFFFAOYSA-N	422.407	5.432	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(Cl)c1	754409481	LUSAOFUWPVAFJA-UHFFFAOYSA-N	408.716	5.761	30	20	HKED	
COc1cc(C=NOc2ccccc2C(F)(F)F)ccc1OCc1cccs1	754712804	UJGDWVDPBNKOEE-UHFFFAOYSA-N	407.413	5.767	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)Cc1cccc(OCC#N)c1	760481310	QTDMONFZIBRJGG-HNNXBMFYSA-N	410.470	5.007	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1	761674115	QPWONLDHOVYBEG-UHFFFAOYSA-N	408.260	5.231	30	20	HKED	
Cc1nc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)sc1SCC#N	762187350	LQGYLWYXQOJRGA-XYOKQWHBSA-N	417.865	5.305	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1SCC#N)c1nc2cc(C(F)(F)F)ccc2n1C	764930130	WJZSWUKJFPLCIE-GFCCVEGCSA-N	419.428	5.126	30	20	HKED	
O=C1/C(=C/c2cncs2)CCc2nc(-c3ccccc3Br)sc21	767728356	FYXJVNROJRFWSS-JXMROGBWSA-N	403.326	5.242	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Br)c(F)c2)cc1OCCCC#N	767737922	UWGBZIQEJYUOGS-YWEYNIOJSA-N	418.262	5.175	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1	770379265	DIMDIKQHJRAMCR-CTNGQTDRSA-N	422.573	5.253	30	20	HKED	
Cc1cc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2cc1C	770841310	ZJXCSSHULGATNF-INIZCTEOSA-N	414.433	5.326	30	20	HKED	
COc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)cc1	776163468	BQXVWJFHJRGZTM-MZNJEOGPSA-N	406.913	5.691	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2cc(C)ccc2SC2CCCC2)c1OC	776346148	FDGZLSLPQHVAQU-LJQANCHMSA-N	410.539	5.042	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c2c1	780179420	YRHDLYIOOCTFKG-KRWDZBQOSA-N	408.461	5.148	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	780676882	AAOZLTCMJADTPY-MSOLQXFVSA-N	415.493	5.536	30	20	HKED	
C[C@@H]1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCC1=O	783354824	IEEPWCSFMGVBHU-SUNKGSAMSA-N	407.322	5.298	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=S)Nc1ccccc1Oc1ccccc1	783789707	QQIBDCYGORYNKA-UHFFFAOYSA-N	419.506	5.185	30	20	HKED	
CC(C)(C)c1csc(C2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)n1	785806288	SZDSJPANKNUFIA-UHFFFAOYSA-N	421.526	5.153	30	20	HKED	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1	787193499	SGNFQDUCVWYLCD-LLVKDONJSA-N	410.326	5.088	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1	789455097	IDSAEOWBMXIXMC-UHFFFAOYSA-N	415.578	5.450	30	20	HKED	
CCN(C(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1	790767058	HOXPDNOARLQPIQ-GOSISDBHSA-N	421.541	5.448	30	20	HKED	
O=C1/C(=C/c2ccc(Sc3ccccc3)cc2)CCc2c1cnn2-c1ncccn1	792917620	OLCLQQKZJMYNMH-OBGWFSINSA-N	410.502	5.026	30	20	HKED	
CCc1cccc(CC)c1NC(=O)COC(=O)c1sc2ccc(C#N)cc2c1C	796615805	RSBSDDIAWGZPRU-UHFFFAOYSA-N	406.507	5.002	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O	800934450	SUGFWPZKJDFLTA-UHFFFAOYSA-N	403.931	5.122	30	20	HKED	
C[C@H](C#N)OCCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1	801651981	HMSQWCPATSZKGQ-CQSZACIVSA-N	405.445	5.124	30	20	HKED	
COc1cc(C(=O)/C=C/C(C)=C/c2ccccc2OC(F)F)cc(OC)c1OC	811684853	DHZMVLPQCCKOCJ-QDCWQMMGSA-N	404.409	5.156	30	20	HKED	
CCN(c1ccc(NC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1)C(C)C	812454633	MPGIFSGPGXTARK-QGZVFWFLSA-N	412.946	5.430	30	20	HKED	
C#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1	812752322	CAFXVRDLMSDKMG-SFHVURJKSA-N	417.267	5.211	30	20	HKED	
C=CCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1	913359573	UZNANPAYJKINCF-UHFFFAOYSA-N	414.672	5.007	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12	914502703	XXUYPROHOGREAB-UHFFFAOYSA-N	406.489	5.219	30	20	HKED	
CCCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2C)cc1OCC	916342082	UJVHTKFGKBLAJI-UHFFFAOYSA-N	410.543	5.002	30	20	HKED	
N#C[C@H](C(=O)COc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	916654260	WOEDRBDBUXEMEZ-MRXNPFEDSA-N	403.290	5.372	30	20	HKED	
Cc1c([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2ccccc12	916678907	FGCOXCIMQTXKTN-FDDCHVKYSA-N	409.489	6.279	30	20	HKED	
CC(C)Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916888300	VPLNJVADKVEOIU-SFHVURJKSA-N	402.466	5.161	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1OC	916931288	PBYHLBWHILPYNL-IQGVVSCOSA-N	416.477	5.145	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)nc(Cl)c2)sc2c1-c1ccccc1CC2	917774754	SIXYWVOIIQUVIN-UHFFFAOYSA-N	400.290	5.339	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(C)n3)cc2)CCC1	1786212224	BWOYVTFLIORIJM-UHFFFAOYSA-N	419.569	5.059	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3)CCC2)cc1	1791247125	LDQCUQWMFHRRRO-GOSISDBHSA-N	408.567	5.125	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1	1791730750	UVVUIKUMRMNNGP-UHFFFAOYSA-N	414.505	5.374	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(Br)cc2Cl)c(C#N)c(C)c1C	10380914	DGZSLEJURZVADS-UHFFFAOYSA-N	424.751	5.025	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccccc2Cl)nnc1[C@H]1COc2ccccc2O1	23592328	OFUFJJWMJSQZHI-IFXJQAMLSA-N	413.930	5.483	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1nc2ccccc2s1	60477194	UACIYZPTGGCVOH-GOSISDBHSA-N	402.450	5.504	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1	65857083	GOJDJJORNUORHT-HSZRJFAPSA-N	408.461	5.205	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(C(C)(C)C)nc1C	109489112	ANQITBIFCDSWMG-UHFFFAOYSA-N	406.511	5.369	30	20	HKED	
CC(=O)c1cc(F)ccc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	195532436	ARICYCVMFBYOGU-UHFFFAOYSA-N	423.284	5.083	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)ccc1OC	237346227	FJUAEOKDLDWJCD-QGZVFWFLSA-N	409.505	5.134	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1OC	237473788	PDQMZZKFNWKSCF-MRXNPFEDSA-N	424.566	5.551	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccccc1C(F)(F)F	255931374	YWKJIGSSNSITCT-UHFFFAOYSA-N	423.435	5.493	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1	301303101	SHNSOAGUZKURNJ-UHFFFAOYSA-N	406.795	5.151	30	20	HKED	
CCN(CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N	431218885	XCZKAYLFINTVBH-QYZOEREBSA-N	402.608	5.103	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)[C@H]1OCCc2sccc21	431945706	JSCQSGCTWINCOA-QVKFZJNVSA-N	419.506	5.004	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1	433814544	IEMMCKJAVYROQG-QGZVFWFLSA-N	410.909	5.013	30	20	HKED	
C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437730674	CPCCSJHKHMPRLQ-GAJHUEQPSA-N	415.924	5.974	30	20	HKED	
COc1c(Cl)cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1Cl	438178220	MFPIBNITMTVGDI-MAUKXSAKSA-N	404.297	5.306	30	20	HKED	
CCCc1c(N[C@H](C)c2nc(C(F)(F)F)cs2)cnn1-c1cccc(C#N)c1	439060546	ZBJWPGXWNUWFOP-GFCCVEGCSA-N	405.449	5.345	30	20	HKED	
CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	439323035	FIQUMFCEXYLDGZ-WZONZLPQSA-N	411.571	5.133	30	20	HKED	
CCCc1c(NC(=O)c2ccncc2Oc2ccccc2)cnn1-c1cccc(C#N)c1	442761807	YTFGJGUVOKPFQL-UHFFFAOYSA-N	423.476	5.136	30	20	HKED	
COc1cc(CN2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)ccc1C#N	443071981	TZETYJQYUSFBTR-IBGZPJMESA-N	419.550	5.079	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCCCCC(C)(C)C#N	444685116	NHQUSDVJBYMMPK-AWEZNQCLSA-N	420.420	6.252	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1	446214871	GOEKIPITLUUGQI-QZTJIDSGSA-N	413.587	5.453	30	20	HKED	
COc1ccc(/C=C/c2ccc(OCc3nnc(-c4cccc(C#N)c4)o3)cc2)cc1	461090242	SESKWPVIJKFYHA-AATRIKPKSA-N	409.445	5.366	30	20	HKED	
C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2OCC[C@@H]2C)n1Cc1cccs1	461478409	IVGNOZQORCMFQW-GHTZIAJQSA-N	408.571	5.068	30	20	HKED	
CCN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(C#N)cc1	461550001	SLQIDXQZNCESTI-UHFFFAOYSA-N	414.490	5.053	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCO[C@@H]1c1ccc(C)cc1	470073576	OKQNNAPEPRLMMQ-AZUAARDMSA-N	404.963	5.328	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NCc1nnc(-c2cccc(C#N)c2)o1	471642208	ATBXHHMKCRENOA-UHFFFAOYSA-N	400.869	5.849	30	20	HKED	
O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	472182627	WOOKZOQTOIYTLJ-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)Nc1cc(F)cc(NCC(F)(F)F)c1	473238005	GZAPWYIGLXYRIO-UHFFFAOYSA-N	400.338	5.497	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1	473786845	GEJHPEOMLBKWOX-UHFFFAOYSA-N	406.873	5.475	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2c(cnn2-c2ccccc2)C1	475550511	NVNWGWJXWJMCHU-UHFFFAOYSA-N	400.526	5.314	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1	477736345	AACWRPJRLFJQPW-UGKGYDQZSA-N	416.468	5.146	30	20	HKED	
C=CCOc1cccc(CNCc2cc(-c3c(OC)ccc4ccccc34)no2)c1	478256555	PYNATPWBQVKDJA-UHFFFAOYSA-N	400.478	5.358	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1Cl	480725817	ZDXCIFZMCFUXTL-AWEZNQCLSA-N	418.777	5.804	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1C)c1ccc(F)c(F)c1	480830050	PITFPKPRPMZFQH-BTYIYWSLSA-N	415.484	5.240	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccccn1	481379100	VHNOSRFOXZYADA-ZDUSSCGKSA-N	406.433	5.278	30	20	HKED	
COC(=O)c1csc(-c2cccc(CN[C@H]3CCCCc4cc(C#N)ccc43)c2)n1	482001948	NYGIWKVOSREUHF-NRFANRHFSA-N	417.534	5.026	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@H](C#N)c1nccc2ccccc12	483194867	IYVFTMDRWIYTLM-OAQYLSRUSA-N	414.896	5.240	30	20	HKED	
CC(C)CCn1ncc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C(C)C	486914376	VIJDVDWZGOWIRZ-KRWDZBQOSA-N	413.591	5.948	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	487327875	XKBOKHWUYVWJRH-UHFFFAOYSA-N	422.560	5.351	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1nc(-c2ccccc2F)cs1	489094445	XZLXDFZAFICTQD-UHFFFAOYSA-N	409.530	6.123	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCSc2ccc3c(c2)CCC3)n(Cc2ccco2)c1C	497686135	JTUMWUAKCOYHNS-UHFFFAOYSA-N	419.550	5.228	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cnn(CC(C)C)c1C	499564659	SSDVOKYLVVPKQR-UHFFFAOYSA-N	417.513	5.251	30	20	HKED	
C=CCC[C@H](NC(=O)NC(C)(C)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	500094149	AFMRDOWAELTZOJ-KRWDZBQOSA-N	409.452	5.552	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnccc3Oc3ccccc3)n2)cc1	501376652	MBRIFMDPIKQTSN-LJQANCHMSA-N	411.486	5.796	30	20	HKED	
Cc1ccc(OCc2nc(CN3CC=C(c4ccc(C#N)cc4)CC3)cs2)cc1	502542235	XVCYLUWSFRVPPY-UHFFFAOYSA-N	401.535	5.192	30	20	HKED	
Cc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1NC(=O)C(C)(C)C	503493442	YVUVYTLBSHXPHB-UHFFFAOYSA-N	416.525	5.173	30	20	HKED	
CC[C@H](CSc1ccccc1)NC(=O)c1occc1COc1cccc(C#N)c1	504777624	FUYSNOYEAWVHMI-LJQANCHMSA-N	406.507	5.031	30	20	HKED	
Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)[C@@H](C#N)c1ccccn1	505300646	XHQUDRXNGCNHLK-INIZCTEOSA-N	406.283	5.068	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	505476508	MANADUQIBSAEQN-IRLDBZIGSA-N	406.407	5.530	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c1	506917231	LNNGGAAIFMAZJE-KRWDZBQOSA-N	413.346	5.072	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(C#N)cc1	509224386	DWQWNAIXOYTHOL-AWEZNQCLSA-N	418.310	5.141	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)C[C@H](C)C2	509710206	CKFMFIZSMFYNMY-LRSOOSPMSA-N	413.521	5.572	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cc(C#N)ccc1Cl	509812325	MWYWYQJRYSAESN-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
C=CCOc1cccc(NC(=O)NCc2ccc(COCc3ccccc3)cc2)c1	510727775	CCDBJXOSIWWDBU-UHFFFAOYSA-N	402.494	5.290	30	20	HKED	
Cc1nn(-c2ccccc2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	510897072	WSOYDEWOZWMFQN-UHFFFAOYSA-N	410.502	5.456	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1F	511122354	PXFMVGUZFUENEM-FZKQIMNGSA-N	420.257	5.031	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1F	513229239	UVZWRVVPYBMTJT-UHFFFAOYSA-N	406.511	5.358	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(CCN2CCCCC2)cc1	513399516	NBNUTEIAWSLOJF-UHFFFAOYSA-N	409.533	5.506	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)NCc1cccs1	515735633	DPJMULJATPONGB-CQSZACIVSA-N	411.914	5.182	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2nc3ccccc3o2)cc1	516142617	DUXTVZSHAYHNCB-UHFFFAOYSA-N	411.461	5.044	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)n1	516795143	UVWRYJGSBXVUJG-NSHDSACASA-N	412.517	5.239	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Cl)c4ccccc4n3C)n2)cc1	517801174	ZBEYQXWSBQTJOX-MRXNPFEDSA-N	421.909	5.454	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1cccc(C(F)(F)F)c1	518320678	UCLFMEVTUHZURJ-MRXNPFEDSA-N	404.775	5.613	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(Br)c1	519905374	HFOSAJRQCQQWJD-UHFFFAOYSA-N	400.320	5.319	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1C(C)C	520537917	QMNBZCRMFBCVML-XMMPIXPASA-N	401.510	5.260	30	20	HKED	
COCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	520598091	RAUWKCYSOASICT-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c(F)c2)cc1	521729101	AGRIKQRMBNIODT-QGZVFWFLSA-N	404.510	6.305	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)C1	524194671	HHCDTTXRCMBBFX-NYHFZMIOSA-N	422.579	5.039	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H](c2cccnc2)C2CC2)c1	534736498	BIJZPXRXCIJLPA-QFIPXVFZSA-N	403.869	5.280	30	20	HKED	
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	537442546	SFKBMCQLSGLHBV-LEWJYISDSA-N	412.455	5.669	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)N(CC)c3ccc(C#N)c(Cl)c3)c12	540274297	NXWMNMLSCWEENR-UHFFFAOYSA-N	408.889	5.244	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)cc1	542130268	PWTVOHIPQMBWGK-FQEVSTJZSA-N	412.470	5.781	30	20	HKED	
C[C@H](NC(=O)c1cc(O)nc2cc(F)ccc12)c1ccc(-c2cccc(C#N)c2)cc1	542930906	ZIEIFQZQYOGVQR-HNNXBMFYSA-N	411.436	5.109	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)cc1	543304311	ZZWSXMULEHPHGQ-UHFFFAOYSA-N	408.461	5.419	30	20	HKED	
C[C@H]1N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCC12CCOCC2	543561844	CGSLAJNXEKAWJP-UTKZUKDTSA-N	423.944	5.418	30	20	HKED	
N#Cc1cccc(Cc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)c1	545759405	XFSCUKWNZKTCSL-UHFFFAOYSA-N	422.366	5.405	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)CC1	548906561	YVSWGLYNGBWUCA-QHCPKHFHSA-N	416.569	5.360	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C	549022997	IWCAQYCHQHECDA-JOCHJYFZSA-N	416.550	5.122	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OC2CCCCC2)CC1	553320086	PTSLXXBORQFTCA-QGZVFWFLSA-N	401.576	5.426	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2ccc(-c3ccc(Br)cc3)o2)CC1	558621238	OCXCDZJNQYOQIO-UHFFFAOYSA-N	422.326	5.161	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC=C(c3ccco3)C2)cc1	560977893	LEUZNFMGTZDIRG-UHFFFAOYSA-N	400.503	5.373	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)nc2ccccc12	561838494	AKEZFUWNLDOMMI-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CSc1ccccc1NC(=O)[C@@H](C)SCc1ccc(C#N)cc1OC(F)F	569285695	XKGFDLDCKVSZOG-GFCCVEGCSA-N	408.495	5.142	30	20	HKED	
CCN(C(=O)CCCCCC#N)[C@@H](c1ccc(Br)cc1)c1cccnc1	588926072	YJECLEHDQAKSIX-NRFANRHFSA-N	414.347	5.256	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2C(C)C)cc1	592973603	IDHMQLKVVLYRKQ-KRWDZBQOSA-N	418.497	5.543	30	20	HKED	
CCc1ccccc1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2	598583470	GDNVGSQSHWSJDF-OAHLLOKOSA-N	417.534	5.384	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1ccccc1COCc1ccccc1	601118771	QBWJKPQGVBBGFP-UHFFFAOYSA-N	402.494	5.290	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1	603836628	PHQYVOJQSGIKGD-MRXNPFEDSA-N	403.419	5.263	30	20	HKED	
C[C@H](c1nnc(S[C@@H](C#N)Cc2ccccc2)n1-c1ccccc1)N1CCCCC1	604076971	CYVYEOCRNSMBED-DENIHFKCSA-N	417.582	5.041	30	20	HKED	
CCCN1Cc2cccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2C1	608949762	VTFJDZPWERMDEA-UHFFFAOYSA-N	411.505	5.115	30	20	HKED	
CCC(C)(C)c1ccc(Oc2ccc(NC(=O)NC3CCN(CC#N)CC3)cc2)cc1	609338445	HPMCNFDOFFTTSU-UHFFFAOYSA-N	420.557	5.276	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@@H](SC)C2)cc1	609773668	QJLXCGJNLROPSS-IEBWSBKVSA-N	411.527	5.155	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1Cl	610357267	JQIZWYZHZSFPSO-MWTRTKDXSA-N	419.912	5.370	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1C	610527105	HFGCOOCDRFLBHA-QHCPKHFHSA-N	405.542	5.179	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(-c2ccccc2)nc1C(F)F	611182682	WITPNPGOMQIHIR-UHFFFAOYSA-N	411.477	5.672	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c(Cl)c1	611477617	ZVPIXQAFZBLCMN-UHFFFAOYSA-N	406.269	5.304	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccc(C#N)cc1Br	612504764	QTBTZXBHRSPAAF-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c[nH]cc1-c1ccc(Cl)s1	614428475	CZEYHSNPUBGYIE-UHFFFAOYSA-N	403.894	5.444	30	20	HKED	
O=C(Nc1ccccc1OC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618540607	VIQWGJJPFHCPQD-IUCAKERBSA-N	424.263	5.180	30	20	HKED	
N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1Cl	619769953	VDQBFOLHRKEETD-SFHVURJKSA-N	418.722	5.021	30	20	HKED	
O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642399443	RHFYXWGYDDYDNU-IAZYJMLFSA-N	422.291	5.736	30	20	HKED	
FC(F)(F)c1cnc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1	683927646	NJPZYOXNHMYEIH-JIGDXULJSA-N	400.310	5.161	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccc(C)cc2)c1	726572984	UAXLBBRLPABHSO-UHFFFAOYSA-O	405.930	5.241	30	20	HKED	
N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c1	726801318	GUIWWIGJHYOOMO-AQTBWJFISA-N	414.939	5.428	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cn4cc(Cl)ccc4n2)CC3)cc1	727779923	BTFAUGUTIAFEII-UVTDQMKNSA-N	421.909	5.332	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c1	728446644	WFVHTWSGQYDJGG-UHFFFAOYSA-N	416.546	5.084	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1	728767108	VFURMAODQLIUQC-WOJBJXKFSA-N	416.443	5.413	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12	729890840	QZWKCZVHVAFCHU-ODYGUOKUSA-N	400.478	5.259	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	730085645	RQGLKNDZZLNYPN-MDZDMXLPSA-N	402.397	5.207	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c(F)c2)c(F)c1	730484612	OJDKQZBHAKWSHI-UHFFFAOYSA-N	422.431	5.552	30	20	HKED	
O=C1/C(=C\c2ccc(OCc3occc3C(=O)O)cc2)CSc2ccc(F)cc21	730951383	MXBGJYMFMKHYIE-ZROIWOOFSA-N	410.422	5.068	30	20	HKED	
FC(F)Oc1cccc(Cl)c1C=Nn1c(S)nnc1-c1ccccc1Cl	732923550	DMKWJIJMYPJQMM-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
COc1ccc(Cl)cc1C(C)=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1	733081234	RMMJIFDRKQUDOA-UHFFFAOYSA-N	421.810	5.056	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)ccc1OC	733643063	DREATHABRQSGOO-RTWAWAEBSA-N	423.557	5.353	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@H](C)c2cc3ccccc3o2)c1	733806760	LZAGDFVYSQRNTL-XLIONFOSSA-N	405.498	5.406	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2nccn2Cc2ccccc2)CC3)cc1	734096027	VOTPZJLRNMSSSW-HKWRFOASSA-N	411.530	5.576	30	20	HKED	
COc1cc(Br)c(/C=C\C(=O)c2ccc(SC(F)F)cc2)cc1O	734980089	HEOXETFQZDOBJD-DAXSKMNVSA-N	415.255	5.374	30	20	HKED	
Cc1cc(C)c(NC(=O)CCCSCc2cc(Cl)ccc2OCC#N)c(C)c1	735317508	BRFQEDRZRCNPLB-UHFFFAOYSA-N	416.974	5.820	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3C2)n(-c2ccc(F)cc2)c1C	735793899	ROBKAHKHNAENTO-UHFFFAOYSA-N	418.497	5.063	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1	736465944	UPNQVLODHGYSEZ-HSZRJFAPSA-N	406.445	5.177	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNc1ccc(OC(F)F)cc1	740762036	WTVVHYLMMZVAKT-UHFFFAOYSA-N	404.848	5.249	30	20	HKED	
Cc1ncsc1/C=C\C(=O)c1sc(-c2ccccc2Br)nc1C	742434899	POGSJWPRXKOJLJ-FPLPWBNLSA-N	405.342	5.542	30	20	HKED	
Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1	743152229	OSYGRAORBNHDKL-MOPGFXCFSA-N	408.571	5.037	30	20	HKED	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1Br	746391837	BUZXGWNERCOXKJ-SXGWCWSVSA-N	415.337	5.035	30	20	HKED	
CCOc1cc(/C=C2/Cc3ccccc3C2=O)cc(Br)c1OC(F)F	750896165	OEORTVAGUMPUMG-QPEQYQDCSA-N	409.226	5.272	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2scnc2C)cc(Br)c1OC(F)F	750907125	UOJTVVKILIJXKM-PLNGDYQASA-N	418.259	5.110	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N[C@H](CCC#N)c1ccccc1	754481230	WWTWDXWWBLXHBX-LJQANCHMSA-N	408.502	5.509	30	20	HKED	
C/C(=C\c1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	759267113	GINUGWMUNDLWBZ-CECLQJIQSA-N	403.894	5.615	30	20	HKED	
N#C[C@H](COC(=O)c1sc(-c2ccccc2)nc1C(F)F)Cc1ccc(F)cc1	762050450	GUMQQFBZCQZYDI-CQSZACIVSA-N	416.424	5.426	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(Cl)ccc1Cl	762479916	OQDXGTFDCPTYNN-UHFFFAOYSA-N	421.353	5.346	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2cc(Cl)cc3cccnc23)SC1=S	763108592	LEXXPOQYOBQYED-YVLHZVERSA-N	407.907	5.166	30	20	HKED	
O=C(/C=C\c1ncc(-c2ccccc2)s1)c1ccc(N2CCOCC2)cc1Cl	770573060	WTEXQZFDXJWSDH-HJWRWDBZSA-N	410.926	5.196	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SCCC#N)ccc1NC(=O)OC(C)(C)C	772119391	UHKAZTPXDBYKPA-UHFFFAOYSA-N	411.527	5.600	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)cc1	773788340	XXSKPZNCXYAFCU-QHCPKHFHSA-N	408.436	5.190	30	20	HKED	
CSc1cccc([C@H](NC(=O)Cc2ccccc2CC#N)c2ccc(F)c(F)c2)c1	776964844	RCLZYNPFBOPYJV-DEOSSOPVSA-N	422.500	5.201	30	20	HKED	
N#Cc1cc(N[C@@H]2CCCSc3ccc(Cl)cc32)ccc1N1CCC(O)CC1	777116427	FWSWJKGTVVDBIP-HXUWFJFHSA-N	413.974	5.212	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2cc(C)ccc2C)ccc1OC	779101406	NAUTXZNGEAOTIU-KCWPFWIISA-N	414.549	5.872	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	780305970	PHKYHKHREANESO-QGZVFWFLSA-N	424.287	5.325	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1C(C)C	781134676	DMTRATPWHFVJPZ-JOCHJYFZSA-N	414.505	5.735	30	20	HKED	
C=C(C)Cn1c(SCc2cc(Cl)nc3ccccc23)nnc1-c1ccncc1	782279439	BAZPTDCZKKUZHY-UHFFFAOYSA-N	407.930	5.410	30	20	HKED	
CC(C)(C#N)CCCOC(=O)c1ccccc1C(=O)c1ccc(Br)cc1	782650985	FNACOJRRQBMYFQ-UHFFFAOYSA-N	414.299	5.167	30	20	HKED	
CCCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1C1CCCC1	783895302	SNWWYDOXYBKHNA-HSZRJFAPSA-N	412.537	5.858	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1	788242702	IWGBPBNVWMDMLV-FQEVSTJZSA-N	424.548	5.283	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1cccc(Br)c1	801755517	QPJQAPCEUQTWPM-LJQANCHMSA-N	417.347	5.156	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	802042108	AHEQEUGUGNNXFJ-HKUYNNGSSA-N	414.358	5.217	30	20	HKED	
C=CCOc1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1	803373824	FMAVOZCGAAEXEF-UHFFFAOYSA-N	416.905	5.182	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F	806400077	BZVDZMXQZLLVHS-CABCVRRESA-N	405.420	5.091	30	20	HKED	
CC(=NNc1ccc(Br)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	914695436	VAOJXURICLIUBN-UHFFFAOYSA-N	421.360	5.002	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	915180930	SPNQYBZUYKHTIM-GTOQVXEWSA-N	424.500	5.567	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915683754	FMKFZLCPGWEDQX-CLOONOSVSA-N	413.521	6.012	30	20	HKED	
Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(C)n1CC(C)C	916546286	KAADZFPESQPNMR-UHFFFAOYSA-N	401.967	5.180	30	20	HKED	
CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)c(C(C)C)c1	916586909	JKKQHQAZODVYGT-QGZVFWFLSA-N	420.509	5.214	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1cc(C(C)C)ccc1C	916907959	OLDFMYMFDORGQU-PGRDOPGGSA-N	420.553	5.358	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1sc2ccccc2c1Cl	916936434	KNIBURJPEQEDAB-NSHDSACASA-N	407.253	5.308	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)CCCCCC3)cc1Cl	916940841	ZQMBQBDSGHKREO-OAHLLOKOSA-N	416.930	5.030	30	20	HKED	
Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1nc2ccccc2s1	918483554	MHDWPPCDAUGKMJ-AWEZNQCLSA-N	424.323	5.198	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1	919980805	QEGWZRZVSILBJT-XMMPIXPASA-N	414.480	5.168	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3C)n2)cc1	920141603	FXUUAMHOSSXDKC-IBGZPJMESA-N	406.507	5.163	30	20	HKED	
C[C@H](Cc1ccc(F)cc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	921005641	IMZUHTQDTSVHRD-GOSISDBHSA-N	404.460	5.244	30	20	HKED	
N#CCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1	1787648612	IFHUNSZDZCAAOX-UHFFFAOYSA-N	423.472	5.247	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccsc3)cc2)CCC1	1788240301	BTDFCGWBRUYCPY-OAQYLSRUSA-N	408.567	5.193	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1	1819309303	RIZSYZBBHKRMDQ-STNJVZKESA-N	424.589	5.307	30	20	HKED	
CC[C@@H](C)c1ccc(-n2c(SC[C@H](C#N)CCC#N)nc3ccccc3c2=O)cc1	7204926	AJLJKCDTXOBJRK-MSOLQXFVSA-N	416.550	5.435	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1cccc(C)c1	24566707	FVRFYUQQGYBVOB-UHFFFAOYSA-O	417.554	5.179	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48126211	RMHLZAINTXDNOG-MRXNPFEDSA-N	416.456	5.175	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccccn3)c2)cc1	56661949	YIJYPYIWZVBOMH-DEOSSOPVSA-N	412.493	5.096	30	20	HKED	
C=CCn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1ccccc1	57508753	LJBVEZWEAHRGIU-UHFFFAOYSA-N	420.582	5.051	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2ccccc2C#N)c1	65636372	BVCRQXPYGUIMSR-UHFFFAOYSA-N	409.489	5.061	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	106116279	WOXNQWCSCDONFQ-MRXNPFEDSA-N	421.884	5.422	30	20	HKED	
Cc1cc(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)n(CCC#N)n1	109728897	VZCJUNPKAMFHEA-UHFFFAOYSA-N	422.554	5.670	30	20	HKED	
C=CCn1c(SCCSc2ccc(F)cc2)nnc1-c1ccccc1OC	195562286	JKOSVSRDDIMNED-UHFFFAOYSA-N	401.532	5.163	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2c3ccccc3cc3ccccc23)ccc1OC	236900308	BCTMQHYNFSAYAE-JOCHJYFZSA-N	410.517	5.972	30	20	HKED	
CCOc1ccc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC	237110137	UIGUSWWBKSDFJV-LJQANCHMSA-N	416.521	5.395	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)o1	303416090	WOSQFGVUGHWUBJ-QKLQHJQFSA-N	423.582	5.400	30	20	HKED	
Cc1c(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)sc2ccc(C#N)cc12	426393150	ZHQYIFYCOAKCFD-UHFFFAOYSA-N	411.446	5.381	30	20	HKED	
CCc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cnn1CCC(C)C	427224052	QNZWGVVOQNKHLE-UHFFFAOYSA-N	418.566	5.767	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl	429515779	KJPURWNTGIEEFZ-UHFFFAOYSA-N	408.333	5.032	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)c1	429788070	OQHCPCKJYHERBI-UHFFFAOYSA-N	400.463	5.000	30	20	HKED	
CN(C(=O)c1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1)c1ccccc1	430604164	PGVQJTCWHIYFEA-LJQANCHMSA-N	417.534	5.207	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1	430773108	QGVUJVLPPJRBPU-GOSISDBHSA-N	401.329	5.042	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(-c2cscn2)no1	432691162	VEOVTBYNNGTGNR-UHFFFAOYSA-N	423.523	5.199	30	20	HKED	
COc1cc(CN[C@@H](c2ccccc2)C(F)F)ccc1OCc1cccc(C#N)c1	433067198	JXOJYDVDQNBSSQ-QHCPKHFHSA-N	408.448	5.242	30	20	HKED	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433285753	STSHHYJCSOSGRK-YKSBVNFPSA-N	404.558	5.931	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1[N+](=O)[O-]	435503407	YNZUPJVOLXVFQA-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
CC(C)c1ccc(-c2nc(CS(=O)(=O)CCCCC(C)(C)C#N)cs2)cc1	436087537	KUBAKAJKRZCEBZ-UHFFFAOYSA-N	404.601	5.568	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(-c2ccoc2)n1	436425224	OECOGCBOYXMLEO-UHFFFAOYSA-N	418.840	5.250	30	20	HKED	
CN(Cc1ccon1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	438533420	YXRJNVLFJJSZOG-UHFFFAOYSA-N	416.359	5.021	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)N(CCC#N)c1ccccc1	439599091	UGMVZDLSHWZRLM-IBGZPJMESA-N	410.477	5.098	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(F)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	442227235	RXMGKBZCPLYDMA-GOSISDBHSA-N	423.410	5.632	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)CNc3ccc(C#N)c(C(F)(F)F)c3)c2)cs1	462166183	DQEQQJWRRPUEMF-UHFFFAOYSA-N	416.428	5.060	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1oc2ccccc2c1CSc1ncccn1	471162757	WFMGQGAPZNQLEQ-UHFFFAOYSA-N	408.527	5.060	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3cc(Cl)ccc3Oc3ccccc3)o2)c1	471613080	VPQZMSXAABOIFO-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1)c1ccccc1	472504294	RVDGSVCVBUIOHU-YWZLYKJASA-N	410.395	5.730	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c1	472843714	AIWXYTTUTKHJLF-UHFFFAOYSA-N	421.432	5.080	30	20	HKED	
C=CCCC1(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)CC1	475174211	UWWXLEQINHBUFA-MRXNPFEDSA-N	414.937	5.038	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccccc1	476059006	FBSAQURBTTWUNJ-KCWXNJEJSA-N	408.567	5.294	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1	480450801	UGBKYHARHBOZIO-UHFFFAOYSA-N	420.472	5.156	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1nc2ccccc2o1	480809468	YMKPUXZIVOGBMH-IBGZPJMESA-N	404.470	5.246	30	20	HKED	
C=C(C)Cn1c(SCc2ncc(-c3ccc(C)cc3)o2)nnc1-c1ccncc1	481341133	HMUMOIUOCWMJQY-UHFFFAOYSA-N	403.511	5.172	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1	481997066	GDQJFUCNZPDHSC-KXBFYZLASA-N	402.416	5.462	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1	483339723	SSDWNNVNUWDQFI-UHFFFAOYSA-N	420.494	5.015	30	20	HKED	
COc1cccc([C@H](CNc2ccc(C#N)c(C)n2)c2c[nH]c3ccccc23)c1OC	487928480	APYZJGHMIPPWEE-NRFANRHFSA-N	412.493	5.004	30	20	HKED	
COc1ccc(Br)cc1-c1nc(COc2ccc(C#N)cc2F)cs1	489090211	UFVAPQYWECTBQG-UHFFFAOYSA-N	419.275	5.171	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(C)cc1	489662409	SYGPTYYQZQQINF-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](C(F)(F)F)c4ccccc43)cc2)nc1	492024884	YKTATSOMYVIWLX-IBGZPJMESA-N	423.394	5.442	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496309693	LGQFUDUTNTUOLA-UHFFFAOYSA-N	408.449	5.054	30	20	HKED	
CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	498829129	WRTCGPCQPCSUDB-UHFFFAOYSA-N	408.429	5.299	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C(C)(C)C#N)cc4)cc3)o2)cc1	500005905	QDYNXCVBPSZACG-UHFFFAOYSA-N	422.488	5.766	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1	500592632	VPMGXGDPCNFUEO-UHFFFAOYSA-N	407.495	5.120	30	20	HKED	
CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1Cl	501532169	MQYOCQCVPNVPLB-OAQYLSRUSA-N	413.930	5.050	30	20	HKED	
N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2	505088334	YBNIWRXHWSJOOB-FBMGVBCBSA-N	415.924	5.799	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc12	505540123	LNAYOVYHHOKAKX-ZDUSSCGKSA-N	407.326	5.060	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)[nH]c(C)c1C(C)=O	505678464	QNOZGPISTHPWGV-UHFFFAOYSA-N	417.465	5.013	30	20	HKED	
CCCC[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1	509651036	JMHFORDSQWQZLL-XMMPIXPASA-N	421.541	5.051	30	20	HKED	
C[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1ncc(-c2ccc(Cl)cc2Cl)o1	512785831	PGZAEJZNRPGMAC-SECBINFHSA-N	416.293	5.222	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1	513495945	XJNQJVGZASTEIO-AJTFRIOCSA-N	412.533	5.395	30	20	HKED	
Cc1ccccc1OCCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518256126	MWYTWGWJHWTERC-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c2ccccc12	518292780	PSKMUIKDGJZRHC-UHFFFAOYSA-N	421.456	5.225	30	20	HKED	
Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3SC[C@@H](C)C#N)co2)cc1	519449164	XQCRJESRWGMDEW-KRWDZBQOSA-N	420.538	5.266	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	519870433	CDPQWAYUNZXXQO-UHFFFAOYSA-N	413.783	5.487	30	20	HKED	
CC(C)Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1	520164752	JVRALISFYQRNFV-LLVKDONJSA-N	403.479	5.233	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccc2o1	520336573	JFMNTEXXWRXWKE-UHFFFAOYSA-N	412.449	5.437	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1C	520386179	SDSAGRFKHJFFHX-LJQANCHMSA-N	417.431	5.485	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2ccccc2)n1	521726063	LIVNCWINFIUIPN-INIZCTEOSA-N	423.563	5.465	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(Cl)c1Cl	522777705	STQSLCWCXWJBNX-QWHCGFSZSA-N	408.354	6.270	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)sc1-c1ccc(F)cc1	524380662	QLJQKDYMHAKEOO-UHFFFAOYSA-N	402.397	5.588	30	20	HKED	
O=C(NCc1ccccc1OCC(F)(F)F)Nc1ccc(F)cc1C(F)(F)F	524437197	AELCFEHKFLMLTP-UHFFFAOYSA-N	410.289	5.107	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1CO	534224307	JARFCDBEALWGPX-UHFFFAOYSA-N	422.868	5.147	30	20	HKED	
C[S@](=O)Cc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	534884549	KHQQDRMTGGFFMH-LJAQVGFWSA-N	424.909	5.135	30	20	HKED	
N#Cc1ccc(CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(OC(F)F)c1	535507172	ITYFSEVFYCXELQ-UHFFFAOYSA-N	417.393	5.156	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1	536633146	YLVFCKIGDGBCIU-NRFANRHFSA-N	421.378	5.119	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	538162669	HBYAZMJJTDOJGO-ROUUACIJSA-N	411.571	5.157	30	20	HKED	
CC[C@H](C)n1nc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C	539458613	LSHBKKFZWFUDTM-KRWDZBQOSA-N	419.504	5.408	30	20	HKED	
C[C@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	541992352	YNZHMJOWJBMZDA-NRFANRHFSA-N	419.528	6.050	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3ccc(CCC(F)(F)F)cc3)n2)c(Cl)c1	543024078	WWYQWNMMFNUZRD-UHFFFAOYSA-N	418.806	5.145	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F	543445237	MWBHGEWHGRXSBR-UHFFFAOYSA-N	400.404	5.111	30	20	HKED	
FC(F)(F)c1cc([C@H](NCC2CCOCC2)C(F)(F)F)cc(C(F)(F)F)c1	543981057	ZERCYYBBOVESFB-ZDUSSCGKSA-N	409.292	5.344	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1	553450949	RPCMNZOZIVMJQC-UHFFFAOYSA-N	419.500	5.053	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(CCC#N)c3ccc(F)cc3)c12	553819047	BOCOHPMSXYJTDA-UHFFFAOYSA-N	419.504	5.072	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1	554537382	BTVMJRAQNPJIFL-UHFFFAOYSA-N	407.945	5.021	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571889187	GDKFBEWZUZENLR-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)N[C@H](CCC#N)c1ccccc1	574228482	SHWBSDHSRYGAKM-OXQOHEQNSA-N	403.448	5.323	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN4c5ccccc5C[C@H]4C3)cc2)cc1	576075625	YLJBXECDJYFPDR-QFIPXVFZSA-N	424.504	5.019	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c1	579028361	GAVUVNHIXVABAT-QFIPXVFZSA-N	422.912	5.035	30	20	HKED	
CC(C)c1ccc([C@@H](CNC[C@@H](C#N)CCC#N)N2CCc3sccc3C2)cc1	581655058	NZKOFPLIYDLLMA-AUSIDOKSSA-N	406.599	5.004	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	584076293	SNNNJEOLHDWOIB-UHFFFAOYSA-N	400.356	5.016	30	20	HKED	
CCn1nc(C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	587988702	HKHLVDHBYRMACD-CYBMUJFWSA-N	405.310	5.132	30	20	HKED	
C=CCn1c(C)cc(C(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)c1C	589276184	GODGSBUFPJDDCQ-UHFFFAOYSA-N	419.909	5.032	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1Br)c1ccc(F)c(Br)c1	590193872	VZVYKEUBYWSNKZ-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(F)c(Br)c1	595015637	SHYXKYWBGHNIIM-CYBMUJFWSA-N	409.274	5.186	30	20	HKED	
N#Cc1cc(F)c([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c(F)c1	602754691	AEHNLTINGYKHTB-FQEVSTJZSA-N	413.786	5.400	30	20	HKED	
CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1	603594419	DJQJQFASRPPUFU-UHFFFAOYSA-N	400.547	5.558	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1nc2c(ccc3ccccc32)s1	603727582	ZTXGFRZWVVXYIT-UHFFFAOYSA-N	417.490	5.127	30	20	HKED	
N#CCN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccccc1	604517848	KHWPRPPMZIHGGO-UHFFFAOYSA-N	415.443	5.602	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cc1nnc(-c2c(Cl)cccc2Cl)o1	608832818	RQYJXHJYURNOLR-UHFFFAOYSA-N	415.324	5.573	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccccc4F)cs3)o2)cc1	609059523	HWBWWOIFFDDYFN-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1	609375625	XVDHBFHENIIYNN-UHFFFAOYSA-N	409.555	5.207	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2sc(N(C)C)nc2s1	609430214	CASSONHCBGRKBD-NSHDSACASA-N	402.570	5.070	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(OC)c1	609434375	ZYGHGJNJHMXOSA-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cc1	609460967	ZCXOXJDUHODDOC-NRFANRHFSA-N	422.271	5.652	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc1	609475458	JBWMHYKPPPMCOB-UHFFFAOYSA-N	418.453	5.368	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(Cl)c1Cl	609811202	UAQWSTWRQILOCH-CHWSQXEVSA-N	408.354	6.128	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C1CC1	611167454	PQVXWWMPZKNTNC-HNNXBMFYSA-N	401.470	5.043	30	20	HKED	
CCn1c(NC(=O)c2ccccc2SCc2ccco2)nc2cc(C#N)ccc21	611211473	UWTONZUPPTXUBQ-UHFFFAOYSA-N	402.479	5.065	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1	611386577	OHDVFTUXSICINT-QGZVFWFLSA-N	404.539	5.167	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)NCc1ccc(C#N)c(Cl)c1	619789378	WMGPOOCQGOMVIA-UHFFFAOYSA-N	405.885	5.421	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)Nc3cccnc3)cc2)cc1OC	630055510	MBHWWYQVSUWWBS-UHFFFAOYSA-N	423.900	5.173	30	20	HKED	
Cc1cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(Cl)cc1F	672777164	BPTGKGANALKGKM-IUCAKERBSA-N	420.756	5.819	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1F	677855317	LCXICRYZMZLLSV-RNFRBKRXSA-N	409.704	5.258	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Cl	726487349	MDFWKWFDONCOBP-UHFFFAOYSA-N	412.927	5.334	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)NCc1ccc(OCC#N)cc1	727936055	HIGOLKLLJUJNME-UHFFFAOYSA-N	409.555	5.644	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1cc(F)ccc1F	728062526	LTWZCDMVPNPFQH-INIZCTEOSA-N	421.447	5.163	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1	728695383	VLYZGXPSDJMUMW-TWLAMCEISA-N	409.335	5.076	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	728765702	OSOUKWQTKBOJQJ-DOMZBBRYSA-N	418.440	5.694	30	20	HKED	
N#CCCCCn1c(-c2ccc3c(c2)COC3)csc1=Nc1ccccc1C#N	728776324	PNALKTALMCDIFS-UHFFFAOYSA-N	400.507	5.045	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1	730379821	KWFFSFUXKSKSLP-HRAATJIYSA-N	404.539	5.640	30	20	HKED	
C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	730994319	JSBXPBWFTXOHOK-CYBMUJFWSA-N	410.436	5.668	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)NC1CCN(Cc2ccccc2)CC1	731319667	GGMIQXWCUUQSNB-GOSISDBHSA-N	424.639	5.032	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1	734080332	PPWWODYEPKAPPP-IBGZPJMESA-N	419.868	5.051	30	20	HKED	
Cc1nc(C)c2c(C)c(CNCc3cccc(-c4ccc(C#N)s4)c3)sc2n1	740014189	NVHNQTCDVAVSBO-UHFFFAOYSA-N	404.564	5.507	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccccc1-c1ccc(Cl)cc1	740437420	OUGXBKTTWWKQTB-INIZCTEOSA-N	405.885	5.792	30	20	HKED	
C#CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1	742696289	QYUPPHOWRYRBLU-QFIPXVFZSA-N	414.505	5.454	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4ccc(Cl)cc4)s3)o2)c1	744567144	DTSGTEKOYLRWIR-UHFFFAOYSA-N	421.865	5.347	30	20	HKED	
CCC(CC)(C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1	745727303	GBPZRODARXMGAB-UHFFFAOYSA-N	402.494	5.039	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)Sc2ccc(Br)cc2)n1	747199608	YGMBMCXLMNKFRJ-SMDDNHRTSA-N	409.374	5.386	30	20	HKED	
N#CCCCS(=O)(=O)c1ccc(C(=O)Oc2ccc(C3CCCCC3)cc2)cc1	748168901	ZQSAAXRMNNLSOP-UHFFFAOYSA-N	411.523	5.031	30	20	HKED	
CCc1nn(C)c(CC)c1C=NNc1c(Cl)cc(Br)cc1Cl	755748775	CBPVOJIMGLPAPC-UHFFFAOYSA-N	404.139	5.060	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc(F)ccc2F)cc(Br)c1OC(F)F	757472923	AVMNVWRLEOGPQB-GORDUTHDSA-N	419.168	5.233	30	20	HKED	
COc1c(F)cc(F)cc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	761688676	XLDVBNLJHFYKJP-MBTKJCJQSA-N	420.300	5.004	30	20	HKED	
CC[C@@H](C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1cccc(C(F)(F)F)c1	764300787	DDRPXEUIQUGIRV-CYBMUJFWSA-N	411.767	5.271	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1ccc(Br)cc1	764315276	NLLFXCRGDZTURB-JTQLQIEISA-N	422.666	5.015	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccncc1	765338216	XQZLANWEPWZNMV-INIZCTEOSA-N	418.526	5.128	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(OC)ccc3nc2C)cc1	770105413	BLAXGVUBVUISRF-OYHNWAKOSA-N	415.493	5.027	30	20	HKED	
Cc1cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nn1C1CCCCC1	776545732	MOBHEYYSYNGWHB-UHFFFAOYSA-N	422.316	5.025	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	777119132	YWKHSIBZPXCGRO-MRXNPFEDSA-N	418.566	5.124	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)Nc2cccc(NS(=O)(=O)CCC)c2C)cc1	777653575	ZMAFZWDBAXAFTK-KRWDZBQOSA-N	422.978	5.451	30	20	HKED	
Fc1cccc(F)c1[C@@H](NC(=S)Nc1ccc(OC(F)F)cc1)C(F)(F)F	779732798	JDTJCHUUCYBXFM-CYBMUJFWSA-N	412.330	5.156	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1	780686020	YVXZMMUULHRNRE-CQSZACIVSA-N	418.478	5.169	30	20	HKED	
N#C[C@@H](C(=O)CCCCC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	783354446	CLFMOHXOYKMVFW-IBGZPJMESA-N	422.937	6.083	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2ccccc2n1CC(F)(F)F	786277016	ORUROASPDCVKBV-MRXNPFEDSA-N	423.394	5.199	30	20	HKED	
Cc1c(Cl)cccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	786308980	DVLJPNWACIQYTR-GOSISDBHSA-N	404.853	5.402	30	20	HKED	
Cc1ccc2c(c1)CC[C@@H](C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O2	796650371	LJCOCTWHPLTNFB-PBHICJAKSA-N	416.424	5.194	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3cccc(CC[C@H](O)c4ccccc4)c3)CC2)cc1	796919877	VUOOCQIWHZPARY-MHZLTWQESA-N	411.549	5.305	30	20	HKED	
CC[C@](C)(C#N)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	803783812	FDRPEUYTJOIGGF-HXUWFJFHSA-N	419.934	5.081	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(C(F)F)sc3c2)c1	806697629	JHJBWHKPMULUKK-AWEZNQCLSA-N	416.453	5.237	30	20	HKED	
C[C@@H](OC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccccc1C#N	842096130	ZBJPAMYNHWGZME-BMOGTNHUSA-N	420.465	5.009	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c(OCC(F)(F)F)c1	857442042	JAWADPGVYBEBGC-HNNXBMFYSA-N	409.301	5.604	30	20	HKED	
COc1cccc2cc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)oc12	916333015	AFSHLGSWSPVIOD-UHFFFAOYSA-N	419.293	5.178	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1C	916848194	FAWXJOAAZLLUKJ-HXUWFJFHSA-N	412.518	5.006	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976524	QZOAPSHHOYQHSI-KRWDZBQOSA-N	414.889	5.636	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920139106	NFAPOICEHCZTKM-LIRRHRJNSA-N	424.547	5.184	30	20	HKED	
CC(C)Oc1ccccc1C=NOCc1coc(-c2ccc(Br)cc2)n1	920486197	SMKPUFGOIKTRAC-UHFFFAOYSA-N	415.287	5.442	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	920803934	GTWSMWFLOHVWKY-OAHLLOKOSA-N	410.445	5.236	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)cc3)CCC2)C1	1786023920	HZYMTUPRNJDSDL-PKTZIBPZSA-N	418.512	5.030	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)c(C)c3)CCC2)cc1	1786102725	XDUSQPGZMOJTHR-UHFFFAOYSA-N	417.553	5.215	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CC4)cc3)CCC2)c1	1786161589	YEXWSGISVKRELD-RORWEDLISA-N	413.521	5.028	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3noc(C)c3C)cc2)CCC1	1786538150	KVBMCFCVFDJEQH-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)CCC1	1786921471	KXMLRFVQXLHDTL-NTEUORMPSA-N	417.553	5.221	30	20	HKED	
N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@@H]54)cc3)CCC2)CC1	1789191006	VVPAMNOJRCJDJU-YUXAGFNASA-N	419.569	5.031	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3sccc3OCC)CCC2)cc1	1791726527	ARBUXYPQRABDKD-UHFFFAOYSA-N	424.566	5.088	30	20	HKED	
C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccccc1C#N	5866739	YYVYWHYKPGCALI-HNNXBMFYSA-N	421.526	5.034	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(C)cc1	10173182	GXTJDXSNILRUAO-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1	11146804	XVAQODDZSJVTEK-UHFFFAOYSA-N	421.456	5.001	30	20	HKED	
Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2)c(C)n1C	11263273	VSBBCRTXENPENC-UHFFFAOYSA-O	406.575	5.104	30	20	HKED	
COc1ccc(-c2cc3nc(/C(Cl)=C/c4cccc(C#N)c4)[nH]c(=O)c3s2)cc1	14180386	ONCXJHUZOPEJPZ-YVLHZVERSA-N	419.893	5.269	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CSc2cccc(C(F)(F)F)c2)cc1	22219148	PRLCOLIPIGDSCQ-UHFFFAOYSA-N	408.445	5.143	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c1	32291894	AKVSEVMWUVHOTK-UHFFFAOYSA-N	410.395	5.337	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2ccc(C)cc2)n1	32785313	YNDUDOKGHGXNMD-UHFFFAOYSA-N	402.523	5.311	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccccc2Cl)n1	56212754	FLHSQUXEZPOASP-UHFFFAOYSA-N	411.914	5.304	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1F	56790870	ZYFKCDOLMKTZOW-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
CCn1c([C@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21	97547860	GILVSGGKTKOFQT-KRWDZBQOSA-N	410.477	5.211	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(C(F)(F)F)cc1	195652856	PPWWFBOZVQSUMV-WFASDCNBSA-N	421.369	5.820	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3csc(-c4ccccc4)n3)c2)c1	237855015	ADOCPDRSEDKKEI-UHFFFAOYSA-N	411.530	5.551	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cc(C)nc2ccccc12	303535981	IMZOMXFXDBTSSL-UHFFFAOYSA-N	420.513	5.331	30	20	HKED	
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1ccc(C#N)cc1	303739093	YLYOUPIJKAPRGX-CQSZACIVSA-N	421.909	5.416	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C/C=C\c2ccccc2F)cc1	426160510	JVDHQRXIZXXMSI-YVMONPNESA-N	400.453	5.513	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2	431482665	LIKRHFYXEJCUQN-HSZRJFAPSA-N	412.489	5.009	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2ncc(C(F)(F)F)s2)cc1	435126396	MIFHFCNZOABYGD-UHFFFAOYSA-N	405.420	5.375	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	436011156	OEEKHSUFRHAXPB-NRFANRHFSA-N	418.472	5.073	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	436369350	QFPJMAIDCIBWCY-LEWJYISDSA-N	421.953	5.304	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(O)c(Cl)c3)cc2F)c1	436980868	ADNQVZICLJTADI-UHFFFAOYSA-N	414.795	5.027	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1Cl	439412090	PGCJAPFMCUFHNT-QFIPXVFZSA-N	411.892	5.725	30	20	HKED	
COCCc1nc2cc(NC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2o1	440367851	QRTMUCJZJFFMOZ-CQSZACIVSA-N	410.499	5.055	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1	443862248	YQFNIVMYIDHQMX-INIZCTEOSA-N	422.460	5.037	30	20	HKED	
Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)n([C@@H]2C[C@H]3CC[C@H]2C3)n1	444338285	DYPZQPDDSFVPEF-NPPFBWRTSA-N	401.514	5.063	30	20	HKED	
CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](c1ccc(Cl)cc1)c1ccccn1	445792735	DUGUIYOQEYVFFU-OAQYLSRUSA-N	411.839	5.137	30	20	HKED	
N#CCCn1cc(/C=C/c2nc([C@H]3CSc4ccccc4O3)no2)c2ccccc21	446014611	YOACRUDEGSCIEH-CTDFXDFQSA-N	414.490	5.334	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccsc1	460552276	AAJBHUQJYLJBFD-FKBYEOEOSA-N	420.582	5.502	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1	462243160	AXUHHPGRDOPRMC-AWEZNQCLSA-N	411.383	5.507	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cccc(C#N)c1	462334179	LRGMXZKLZWPNBH-GFCCVEGCSA-N	413.264	5.190	30	20	HKED	
Cc1nn(C)c2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc12	462659029	PGWOPXWTMGCVHU-UHFFFAOYSA-N	412.518	5.298	30	20	HKED	
CCCN(CCc1cccs1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	463460257	CNJDAWFOFCCNNS-UHFFFAOYSA-N	410.568	5.154	30	20	HKED	
COCc1c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)sc2cccc(F)c12	468546462	CSIDZQVJZGXSGZ-UHFFFAOYSA-N	417.346	5.144	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCCCC[C@H]3/C=C\c3cccs3)on2)c1	468816042	COKZEKXQOKCJLS-GDWUOILNSA-N	403.507	5.373	30	20	HKED	
CC(C)(C)OCc1cccc(CNC(=O)c2cn(CCCC#N)c3ccccc23)c1	469038721	RKRSNYQWYHSARA-UHFFFAOYSA-N	403.526	5.190	30	20	HKED	
CC[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nc(C(F)(F)F)cs1	469478387	RJWVEVQKEPKIJH-HNNXBMFYSA-N	420.460	5.301	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	471870972	MRIYULKQQDRUPM-UHFFFAOYSA-N	418.585	5.374	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1nc(C(F)(F)F)cs1	472758742	XZSUQTGMWOSSNQ-LLVKDONJSA-N	414.478	5.078	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c12	474431275	HAXAPGJTBPAZNE-INIZCTEOSA-N	423.586	5.688	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1	475582664	NKZWPEBKONDRIC-MRXNPFEDSA-N	420.513	5.480	30	20	HKED	
C=CCn1c(S[C@H](C)c2noc(-c3ccccc3)n2)nnc1-c1cccc(C)c1	477434307	GFYKANDQFADCTO-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1	480801760	HGDXGCXONCWOCV-JOCHJYFZSA-N	417.465	5.111	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)CC)nnc1-c1ccco1	481430982	HKDPJWSNAQQPGP-SFHVURJKSA-N	424.570	5.034	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	482012739	DXPAZYXBDUTBTE-YWZLYKJASA-N	402.416	5.348	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@H](C)Cc1ccccc1C(F)(F)F	484674999	UXZITKIDTKYHET-OAHLLOKOSA-N	406.473	5.414	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1	484802114	HVAICYDNPGIZGT-UHFFFAOYSA-N	415.234	5.070	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	497805516	XLAKKBWLZRGMRN-VXKWHMMOSA-N	420.434	5.621	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1	499185650	XREHGMGUJCFGQN-MBSDFSHPSA-N	422.573	5.080	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(Br)cc1	499432740	PKLLYXZZKLBEFS-INIZCTEOSA-N	415.674	5.357	30	20	HKED	
CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1ccc(C#N)c(C)n1	501014092	INOSTVSDZWCYGF-UHFFFAOYSA-N	413.399	5.203	30	20	HKED	
Cc1cc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)nn1-c1cccc(C#N)c1	502938737	HNCHAHVSAKPTTO-UHFFFAOYSA-N	418.500	5.135	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1	503839370	JZQARRJEOXIOOH-UHFFFAOYSA-N	421.544	5.120	30	20	HKED	
Cc1cccc([C@H]2CCCCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1	512743858	JNQUQOJEDSOYCR-XMMPIXPASA-N	419.544	5.366	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1	512949443	XARKNNHBHSXMTB-ZDUSSCGKSA-N	416.911	5.192	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c1	513498974	KMCNGCQDXUXBHX-OAQYLSRUSA-N	424.422	5.561	30	20	HKED	
CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	518683239	NJHMTTKFHGHQQH-QGZVFWFLSA-N	424.570	5.245	30	20	HKED	
CCN(CC)Cc1cccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	521258827	DVWDTHDJIPACMJ-GOSISDBHSA-N	410.587	5.102	30	20	HKED	
CN(C)Cc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	522651469	UOQVQUMFZRAZPS-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1	522695543	SZWDHEUTKOHIGB-SFHVURJKSA-N	412.836	5.370	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	524075174	NLHYJWYNPPBBTA-UHFFFAOYSA-N	419.884	5.170	30	20	HKED	
COc1ccc(SCCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	525337929	MDOWDKPYGBIAKT-OAHLLOKOSA-N	416.568	5.219	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1	525481109	BZPNNIIDADQZGH-LJQANCHMSA-N	410.823	5.181	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c(Cl)c1	532869016	XEZCRZHZCGEZNL-UHFFFAOYSA-N	423.712	5.213	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C1CC1	533596633	NEYWFIVYEUOOQT-OAHLLOKOSA-N	417.431	5.440	30	20	HKED	
COc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Br	537303211	DHHGTAIMNMLADZ-HJPURHCSSA-N	421.338	5.770	30	20	HKED	
C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(C#N)cc1	538395796	FYCIYPVGSOWJTC-VOIUYBSRSA-N	404.897	5.423	30	20	HKED	
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2Cl)n1	538635058	OCLQNIFHZBISES-IAGOWNOFSA-N	421.932	5.398	30	20	HKED	
CSc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c(Cl)cc1Cl	542930549	PEWFHDRQDBLZJK-UHFFFAOYSA-N	421.284	5.164	30	20	HKED	
CC(C)C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccs1	543485663	GTQZPNCYSHTWPO-AEFFLSMTSA-N	401.601	5.315	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	543636307	HFAFXYAVTZONGA-GFCCVEGCSA-N	414.365	5.407	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NCc2csc(COc3ccccc3)n2)n1	543852546	WZVDJDUTODQXHD-UHFFFAOYSA-N	421.913	5.045	30	20	HKED	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	550898908	MEPQWYYCANZKLZ-KRWDZBQOSA-N	408.461	5.111	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC=C(c2ccncc2)C1)c1ccc(C(F)(F)F)cc1	553994098	YROWQTKEOXIPQK-NRFANRHFSA-N	415.459	5.607	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1cccc(OC)c1	558451911	FQQJOAFWMCXOJS-DYESRHJHSA-N	422.504	5.093	30	20	HKED	
CCc1cnc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	563563683	CHVNYMBKDRCMPY-INIZCTEOSA-N	404.539	5.147	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1c3c(nc4ccccc14)/C(=C\c1ccco1)CC3)CC2	563634830	GGPSJOMOOUJJAE-CYVLTUHYSA-N	417.468	5.389	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)ccn1	576747281	NLFFYACVVOBMTJ-HUUCEWRRSA-N	418.419	5.236	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)csc1Br	579538530	ORNLHNLECQMITF-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1ccccc1)c1ccccc1C#N	579747807	BWGZKAZZQJZRIW-UHFFFAOYSA-N	407.473	5.298	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	583490526	KJKHIPUAUBZFIV-UHFFFAOYSA-N	414.893	5.372	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)CCCCOc1cccc(C#N)c1)C(F)(F)F	584371119	RLFHIMFGRFKMQV-OAHLLOKOSA-N	406.404	5.076	30	20	HKED	
O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)c(C(F)(F)F)c1	588819920	ITBKGUWXTBSNPI-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
N#CCCC[C@H](NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccccc1	590477562	VPZBSDHSXSYJIR-QHCPKHFHSA-N	422.532	5.178	30	20	HKED	
COC(=O)CCSc1cc(Cl)ccc1NCc1ccc(C2(C#N)CC2)cc1	600851308	NCVKCBBORWLLTB-UHFFFAOYSA-N	400.931	5.162	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cn2)c1	603624116	RVSQGAUKTAUFPD-UHFFFAOYSA-N	416.440	5.537	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	603689342	ICDZLFVZHNGZRX-KRWDZBQOSA-N	416.481	5.415	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603828965	HHRCAIAYESANOR-HNNXBMFYSA-N	406.873	5.624	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CC(c4cccc(F)c4)C3)c2)c1	604547635	BXDQDSKBFJSOMN-UHFFFAOYSA-N	413.452	5.082	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1	609459519	AVCAFHSOEHVNBH-SFHVURJKSA-N	423.944	5.119	30	20	HKED	
CC(C)COC[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccco1	609503349	QNPYIMUPZYBUEL-QHCPKHFHSA-N	418.493	5.282	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1	609515915	SJEUINAMQLKHPY-UHFFFAOYSA-N	417.484	5.044	30	20	HKED	
N#Cc1cc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)ccc1OCC(F)(F)F	609553416	XYQSKFVWCUIHPA-AWEZNQCLSA-N	423.822	5.174	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cc3ccccc3n2CC#N)cc1	609577261	HAVUIIJJTACSKS-SANMLTNESA-N	422.532	5.374	30	20	HKED	
COc1cccc(Nc2ccccc2C(=O)Nc2cccc(OCCCC#N)c2)c1	609910715	OCDOTOHWMRPGLV-UHFFFAOYSA-N	401.466	5.374	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc2)c1	609970683	BNUNIMZRHCKFPR-UHFFFAOYSA-N	401.447	5.248	30	20	HKED	
COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	610344836	IWDQSEJMGWFUBT-QGZVFWFLSA-N	406.913	5.650	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)cn2)c1	611398266	IKJBXANWUAJMGQ-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3ccc4ccccc4c3)cn2)cc1	618045022	SOWQYHATMFWFQB-UHFFFAOYSA-N	421.456	5.500	30	20	HKED	
CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cn(CCCC#N)c2ccccc12	618200748	SQNBSLBZRUKFPR-BWKNWUBXSA-N	415.537	5.185	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N[C@H](C)CC)cc2)cc1OC	630067743	LMGANGUJDDAAEC-OAHLLOKOSA-N	402.922	5.054	30	20	HKED	
O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cc(F)c(C(F)(F)F)c(F)c1	669719230	MLQAEOWBMGJONS-UHFFFAOYSA-N	424.291	5.114	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H](OC1CCOCC1)c1ccccc1	677508958	RIBCDSRMDFWREB-DEOSSOPVSA-N	417.530	5.023	30	20	HKED	
C#Cc1cccc(NC(=S)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1	726448117	WVFSFHCVLIOPGP-UHFFFAOYSA-N	408.530	5.007	30	20	HKED	
CC(C)(C)c1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)c(O)c(C(C)(C)C)c1	727471677	IOUFZADTRCNMPP-UHFFFAOYSA-N	420.601	5.012	30	20	HKED	
CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)N(CCC#N)c1ccc(C)c(C)c1	727657393	NTQCMOVXYGJSCW-UHFFFAOYSA-N	419.308	5.139	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1ccsc1)c1ccccc1)c1nc2ccccc2s1	728927610	VCSUFUPHKJSSQW-SFHVURJKSA-N	403.532	5.241	30	20	HKED	
N#CCOc1ccc(CNCc2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1	729685575	ZRHKVDVLDRQHKB-UHFFFAOYSA-N	403.334	5.914	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc2cc(F)ccc2s1	730422559	YPFDMEFHMOHJDN-LBPRGKRZSA-N	423.296	5.778	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	732496018	LIBCXWZOERMWOT-SWLSCSKDSA-N	407.322	5.069	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)c1	733772937	JDZMMGXYBQZSCI-HVEPWOEZSA-N	402.416	5.106	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccncc1	734361277	SERJKCXJNNMQJG-IBGZPJMESA-N	418.884	5.228	30	20	HKED	
C=CC[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccncc1	734460735	SGVWQNPKWSGBHB-GOSISDBHSA-N	417.456	5.200	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c1	735515343	MLSZUDBBTUKRAH-DZGCQCFKSA-N	406.313	5.235	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	739156265	MKWCSNXISORNQC-KBXCAEBGSA-N	414.452	5.884	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1	744031732	BQXWNTYNYLTOJR-XKOZXHHJSA-N	424.781	5.249	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036741	HTADSCGSPWEHCS-YOEHRIQHSA-N	414.452	6.199	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2ccc(C)cc2)ccc1OC	745818849	FPFYYZPSEZCLSJ-VXKWHMMOSA-N	421.541	5.121	30	20	HKED	
CC(C)n1c([C@@H]2CCCN2Cc2cc(Cl)ccc2OCC#N)nc2ccccc21	746498157	XJUXKJVVHMRWFX-NRFANRHFSA-N	408.933	5.510	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Cl)c(Cl)c1	747113923	OOTYEFQQDAGHNQ-RISCZKNCSA-N	402.306	5.492	30	20	HKED	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	748944557	HYWXDAGCXUGDPQ-HSZRJFAPSA-N	415.493	5.246	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)c(F)cc1[N+](=O)[O-]	750564144	ASFRPNIAYHZALY-UHFFFAOYSA-N	414.208	5.163	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1ccc2ccccc2n1	751825251	GTXZBNFIPMTQCA-GOSISDBHSA-N	417.921	5.795	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2C)cc1C#N	752304919	KPYJYBPASNXSJD-NRFANRHFSA-N	406.486	5.113	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C(C)=C\c1ccccc1Cl	756510247	SZZAOXPFVHAECF-JEMSNHSXSA-N	417.292	5.061	30	20	HKED	
C#CC[C@H](NC(=O)Nc1cccc(COCc2ccc(OC)cc2)c1)c1ccccc1	757881434	SFKLWWLJAPTHEI-VWLOTQADSA-N	414.505	5.298	30	20	HKED	
Cc1sc2ncn(N=C/C=C/c3ccc(F)cc3F)c(=O)c2c1-c1ccccc1	758081520	WGTQPVHQFWLIFU-UFCLCVDTSA-N	407.445	5.259	30	20	HKED	
C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1	758916563	WQSQVSQHKSOEMK-KRWDZBQOSA-N	424.497	5.370	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cncc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759217619	TUZDLMBONCDDDI-RTNQIJGDSA-N	418.280	5.541	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)Nc2cccc(OCC#N)c2)c1C	759913825	MOTMKRMQHAFPIF-UHFFFAOYSA-N	417.465	5.129	30	20	HKED	
CCCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H](C)c1ccc(Cl)c(Cl)c1	760394978	YPQXQPGTTLBVTF-HNNXBMFYSA-N	405.325	5.438	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(F)ccc2Br)S1	761177743	UUIDNVWMMYNDIN-DHDCSXOGSA-N	405.292	5.097	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1OCC#N	761665792	VLPWIGSEAQTWMA-UHFFFAOYSA-N	410.276	5.477	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccc(F)cc3OCC#N)cc2)cs1	761667726	DCSWSKYFMGSTDW-ZDUSSCGKSA-N	410.474	5.043	30	20	HKED	
C[C@H](Cc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	765940238	WAKLJKJWBYVAON-IAQYHMDHSA-N	417.303	5.253	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c(OCc2cccnc2)c1	766492141	VHHWWJKUXAFJEV-CSKARUKUSA-N	422.484	5.627	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1	767983636	ODCVFEUUAVMUIU-UHFFFAOYSA-N	416.484	5.098	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F	768902676	LLSPZBWQBXPKJM-DOTOQJQBSA-N	421.394	5.205	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](c3ccc4ccccc4c3)C2=O)cc1	771908253	XBCBYBGYRJDDOB-JWQCQUIFSA-N	417.468	5.293	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1C#N	772454564	ZHYGAFHPAIVOGM-UHFFFAOYSA-N	402.498	5.238	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2sc(C3CCCCC3)nc2C)cc1C#N	775492582	QPBXWHJAJMDVHZ-UHFFFAOYSA-N	412.515	5.192	30	20	HKED	
C[C@H](NCc1ccccc1COc1ccccc1Cl)c1ccc(OCC#N)cc1	776162406	FXURBYSOQMOMDZ-SFHVURJKSA-N	406.913	5.672	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1csc(-c2cccc3ccccc23)n1	778036864	ODDFEGWFXSLASU-UHFFFAOYSA-N	403.438	5.257	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(F)ccc1Br)c1nc2ccccc2s1	784820983	GHFDNSAVUNQGGU-ZDUSSCGKSA-N	403.276	5.007	30	20	HKED	
N#CCCn1ccc(NC(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)n1	787397714	JGHXNXXJYGJXMY-UHFFFAOYSA-N	400.269	5.415	30	20	HKED	
O=C1/C(=C\c2ncc(C(F)(F)F)s2)CSc2ccc(Br)cc21	788353949	CGPZLYZHNYTBNY-CLTKARDFSA-N	406.248	5.296	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1Cl	789889191	JDFSOWWIQUEPGN-SFHVURJKSA-N	424.976	5.317	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@@H](C)c1ccc(C#N)cc1	790786596	XZUPUBRJPCWSME-SFHVURJKSA-N	406.489	5.392	30	20	HKED	
CC(=NOCc1cccc(C(F)F)c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C	794715765	MWLFKYGTHPRKLO-UHFFFAOYSA-N	424.373	5.473	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1ccccc1	795983849	WDKIPHCKNUQMDZ-UPVQGACJSA-N	423.472	5.457	30	20	HKED	
CCC[C@@]12CCCN1C(=O)N(c1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2=O	804200430	JAKGFEWCJVOTDS-CVDCTZTESA-N	407.901	5.097	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)n1	813073044	RJQYKFCEMAIPSX-DGCLKSJQSA-N	409.324	5.538	30	20	HKED	
CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(OCc2nccn2C)cc1	814694001	QXAMBCKWEKQSKP-UHFFFAOYSA-N	405.889	5.037	30	20	HKED	
C=CCn1c(SCc2ccnc(Br)c2)nnc1-c1ccc(Cl)cc1	814727423	WPHPABGCWPTOQU-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
CC(C)c1ccc2cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)[nH]c2c1	914668520	IFAMDVHVFLXAMN-UHFFFAOYSA-N	413.477	5.199	30	20	HKED	
Cc1ccc(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	914706797	JIAMBNSNWJKXOA-IAZYJMLFSA-N	402.379	5.330	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(C)cc1	915086634	VVGZMBNYEKSPAS-XMMPIXPASA-N	420.516	5.651	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1	915200324	YUBUENANMVGFEF-QFIPXVFZSA-N	402.881	5.597	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F	915353309	MSVFTIDSKCYICM-IIBYNOLFSA-N	421.447	5.826	30	20	HKED	
COc1cc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3)c2C)ccc1OC(F)F	916126776	JOBFGTOYVYQGOA-KHPPLWFESA-N	412.436	5.054	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	916883832	PEHFZQVHUXJYQJ-IBGZPJMESA-N	405.885	5.051	30	20	HKED	
O=C1/C(=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CS(=O)(=O)c2ccccc21	920065266	VAMCITIGEKJFCG-KAMYIIQDSA-N	418.392	5.019	30	20	HKED	
CC(C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140375	CJOUMFNXXGVEJX-IBGZPJMESA-N	401.491	5.060	30	20	HKED	
COc1ccc(Cl)c(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1	1559615288	YEESHXLWOSPFCZ-UHFFFAOYSA-N	418.884	5.009	30	20	HKED	
O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cc(O)nc(C2CC2)c1	1611476457	WUDFCFAQSRYDTR-UHFFFAOYSA-N	422.300	5.206	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4C(C)(C)C)CCC3)cc2)C1	1785806651	JJCKRBOBFUGFDW-UHFFFAOYSA-N	417.553	5.093	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)nc3)CCC2)cc1	1785840963	SFFYLGCAACJRKG-UHFFFAOYSA-N	419.569	5.059	30	20	HKED	
CC(C)[C@@H](C(=O)NC1(c2ccc(NC(=O)CC#N)cc2)CCC1)c1ccc(Cl)cc1	1787650354	PUWARWGTTQXGBC-JOCHJYFZSA-N	423.944	5.127	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@]3(F)Cl)cc2)CCC1	1791675271	VPULBLWHRXUZBK-VGOFRKELSA-N	406.929	5.037	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cc(Cl)ccc2Cl)n1	21514480	UFMXUSHIYMRKLX-UHFFFAOYSA-N	420.243	5.318	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1sc(COc2ccc(F)cc2)nc1C	218139791	OATDAURLTAVBDN-UHFFFAOYSA-N	402.516	5.060	30	20	HKED	
COc1ccc([C@H](NCc2cccc(C#N)c2)c2ccccc2)cc1Br	237362728	BZWOCAPFNJCKSH-JOCHJYFZSA-N	407.311	5.209	30	20	HKED	
C=CCn1c(SCCC(F)(F)F)nc2scc(-c3cccs3)c2c1=O	302845344	HRZPAGDOZPVWGI-UHFFFAOYSA-N	402.488	5.417	30	20	HKED	
Cc1ccccc1-c1nnc(S[C@@H](C)c2ccc(C#N)cc2)n1Cc1ccco1	303699979	NYDXGRRHFCIDID-KRWDZBQOSA-N	400.507	5.620	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](CCCO)c1ccccc1	303802198	AYYPDSLNZTUPBX-DEOSSOPVSA-N	415.493	5.294	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1	432006359	JOAVVFDJLRDQEF-GOSISDBHSA-N	402.267	5.137	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	432061733	KEKQYBLMBUJYLF-JOCHJYFZSA-N	415.497	5.326	30	20	HKED	
CC(C)Sc1ccc(Cl)cc1NCc1cn(CCC#N)nc1-c1ccncc1	435123827	JCEWRXINIVPVAU-UHFFFAOYSA-N	411.962	5.625	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccccc1	437407039	CLHFJOVKZCJTCL-DCEDVJGZSA-N	422.569	5.319	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1	437846830	YOQRKGMUYPGVMN-RPWUZVMVSA-N	422.488	5.654	30	20	HKED	
COCc1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(-c2ccccc2)s1	440475789	FUJNSAWWWAGPJJ-OAHLLOKOSA-N	423.563	5.461	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(Oc2ccccc2F)CC1	440686952	DLCFPTIILNBHQE-UHFFFAOYSA-N	402.425	5.348	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccco1)c1cccc(C#N)c1	442905760	SXCCPLDNEAIVFA-HNNXBMFYSA-N	404.470	5.450	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2c1	443576299	JYBPSKAFTNUUFS-DHLKQENFSA-N	411.505	5.033	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(Cc3nccc4ccccc34)no2)c2ccccc21	445500820	DWYGLVYCMYIAJM-ZHACJKMWSA-N	405.461	5.247	30	20	HKED	
O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)N1CC[C@H](CC(F)(F)F)C1	446278210	ANAZEFNSAAAJMO-SECBINFHSA-N	420.300	5.156	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n1	447393764	FELDAZHXRLCJPQ-GOSISDBHSA-N	407.514	5.209	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	460566088	QFDSMOUJVZGZEO-ROUUACIJSA-N	407.345	5.354	30	20	HKED	
COc1cc([C@@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1	461931232	MNLKFHSOOJVZQG-RBUKOAKNSA-N	414.505	5.127	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@H]3C[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)cc1	463246833	GIDJYRRAEOSOBW-XUTJKUGGSA-N	414.380	5.365	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	464663144	MQYQFVMIXCMMRE-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1OC	464955279	SSYKVTDCTKWGQP-QUCCMNQESA-N	412.917	5.049	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	467047075	AQXZUBCVAMCMAY-UHFFFAOYSA-N	402.401	5.022	30	20	HKED	
C=CCOc1ccc(CN(C(=O)Cc2nc(-c3ccco3)oc2C)C(C)(C)C)cc1	467874979	NTVICQUWSZPFPN-UHFFFAOYSA-N	408.498	5.178	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@H](c3ccsc3)C2)c1	468388175	QKPKAICDYJANCI-NRFANRHFSA-N	424.909	5.279	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCc4c3sc3ccccc43)ccc21	469359138	VKBOKJFWPZRLJQ-NRFANRHFSA-N	415.562	5.974	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C	469691639	RKYVOCHLRZVXQI-OAHLLOKOSA-N	406.511	5.224	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1	473745956	FMJBBWFUISNWHZ-UHFFFAOYSA-N	409.917	5.244	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Br)ccc1OC	473766525	QZYLZVHXGLRXBC-UHFFFAOYSA-N	424.360	5.110	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)nc2ccccc21	475910499	IZJPZLCDJJPMKA-FCHUYYIVSA-N	414.553	5.411	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1	476068809	YLZMVDJXABTFAP-PBBNMVCDSA-N	402.519	5.020	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C	476078284	HCYQPKKFRLEASN-UHFFFAOYSA-N	418.484	6.728	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(OC)c1	480383452	XBZRTPXPFZSXSQ-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12	482651755	ZQQJUBZZDNEBDR-UHFFFAOYSA-N	417.406	5.211	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1	482927121	JDSKWAOFINZVOZ-UWJYYQICSA-N	411.546	5.243	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1NC(=O)c1ccccc1F	483223540	DREGTFRBGSFCNB-OAQYLSRUSA-N	423.447	5.425	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)sc21	484121894	ZOUXNDPFYXIVKS-INIZCTEOSA-N	412.474	5.335	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1c(Cl)cccc1Cl	488743785	ANJHZJHYPMONPL-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCCc1ccc(F)c(F)c1	489612496	PLTUMJWIJLZICQ-CQSZACIVSA-N	406.523	5.131	30	20	HKED	
COc1cc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc(OC)c1C(C)C	491981980	VRKHHPNXUZGNJP-OAHLLOKOSA-N	413.543	5.723	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	494577552	DQJROBQURBPQHD-BXKDBHETSA-N	422.316	5.312	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2CN2CCCCCC2)cc1	497500246	WDOHCULAKHTYDG-UHFFFAOYSA-N	404.558	5.185	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1	498507818	DQKBXWQXSSSIIS-UHFFFAOYSA-N	423.532	5.074	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)c2cnn(C(C)C)c2n1	499492352	SDMVYXOBUPUCEX-XMMPIXPASA-N	403.530	5.046	30	20	HKED	
C=CCc1cc(CNCc2ccc(OCc3cccc(F)c3)cc2)cc(OC)c1O	500289572	RDTDWGBJJZOYGU-UHFFFAOYSA-N	407.485	5.137	30	20	HKED	
Fc1cccc(F)c1-c1nc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)co1	506294040	VPIOXVSEYIJVLV-MRXNPFEDSA-N	404.285	5.291	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3sccc3C2)cc1	508262390	BCPJAFNGMUCJBZ-UHFFFAOYSA-N	405.479	5.011	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc(OC)c1C(C)C	512730187	MHEHCRVIVVNDRK-AWEZNQCLSA-N	413.424	5.062	30	20	HKED	
CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	513863314	GUALEGVFWREMQH-XMMPIXPASA-N	413.477	5.128	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(Cl)c2F)cc1	513947216	VCSMPXZGSDAWEI-UHFFFAOYSA-N	411.839	5.724	30	20	HKED	
CCn1nc(C(C)C)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	514575984	VAMFYEBLZLKYCR-IBGZPJMESA-N	406.917	5.588	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1F	516517592	ZOJVUDSJRMTWPJ-UHFFFAOYSA-N	414.893	5.372	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(-c2ccc(F)cc2)n1	517961089	JPXQJULYCIDPTR-UHFFFAOYSA-N	417.918	5.346	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCc3nc(-c4cccs4)no3)cc2)c1	521313298	PBEMRAMLIAZTFQ-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(COc2ccccc2)CC1	521810917	JSPGRTMKJAFAIV-SFHVURJKSA-N	409.555	5.404	30	20	HKED	
N#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)nc1	523653713	KOPWRPFCULMLHB-UHFFFAOYSA-N	414.465	5.063	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1	525348069	OUFJSWFEJVWNJM-HOTGVXAUSA-N	406.511	5.619	30	20	HKED	
Cn1cc(Nc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)cn1	532030182	WLXOTJSLLWTNAF-UHFFFAOYSA-N	409.449	5.080	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)OCC	535969944	YXOGCVZNKNJVAW-SFHVURJKSA-N	403.910	5.357	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	537006981	FRLMZWBXRGCKOX-IBGZPJMESA-N	421.850	5.523	30	20	HKED	
N#Cc1ccc(C2=CCN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)cc1	537722074	WSQPVRONQFIVMA-UHFFFAOYSA-N	417.516	5.095	30	20	HKED	
CCCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1	540596320	SDFDOCOFAZRLSZ-NTKDMRAZSA-N	404.558	5.007	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1Cl	540731931	MTJZZKYMLBYJOO-UHFFFAOYSA-N	409.917	5.066	30	20	HKED	
N#CCC1CCN(C(=O)c2oc3ccccc3c2CSCc2ccccc2)CC1	541050634	SLSAFOYJHHOGSX-UHFFFAOYSA-N	404.535	5.632	30	20	HKED	
Cc1cc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)on1	541226894	DKIZEEAROJBKRX-LLVKDONJSA-N	420.231	5.054	30	20	HKED	
N#Cc1cccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1F	541294751	RHYMGOBJQXDUSU-HSZRJFAPSA-N	408.860	5.001	30	20	HKED	
CC(C)C[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccs1	541625857	OFIYGGOCQHYXLF-WMZOPIPTSA-N	401.601	5.458	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)oc12	542378556	PJXXCELRPIXEJW-INIZCTEOSA-N	403.482	5.138	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)s1	543487398	NDNGAYNDCKXAQB-ZIAGYGMSSA-N	407.992	5.475	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1	543829474	QMMFKLWLBWZYCH-UHFFFAOYSA-N	414.303	5.399	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1	549234485	IYYWNERUUILXOO-DNVCBOLYSA-N	416.978	5.016	30	20	HKED	
CC[C@](C)(C#N)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	561722929	HSCDIECDPGKCNA-HXUWFJFHSA-N	403.404	5.145	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3[C@H]4CC[C@H]3c3ccccc34)c2)cc1	575221264	MPWSVBQSPGTVFO-DQEYMECFSA-N	409.489	5.755	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(COc2ccccc2)c1C	576896291	HWBNLZAYETUDSC-UHFFFAOYSA-N	420.509	5.270	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(Cl)sc2[nH]1)c1nc(-c2c(F)cccc2F)cs1	578942905	RTFXACICXAKNMW-SECBINFHSA-N	419.865	5.775	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)on2)c1	578959834	QHTIORAHSYPVSK-UHFFFAOYSA-N	424.391	5.269	30	20	HKED	
C=CCN(C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc2c(s1)CCCC2	589037466	FFPSQNSUQGTCRC-UHFFFAOYSA-N	413.543	5.041	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cn2)cc1	603690127	JDYKCJNQACCVNZ-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	603860720	WJNNGCWRHTUMQV-INIZCTEOSA-N	400.434	5.310	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609047113	POHCWWGDKNCRCT-OAQYLSRUSA-N	414.465	5.123	30	20	HKED	
CC(C)(C)c1nc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2[nH]1	609069717	CVSOQDMPPRYAIN-UHFFFAOYSA-N	414.465	5.156	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)sc1-c1ccc(F)cc1	609377228	RJZHABFSWIADSG-CQSZACIVSA-N	410.539	6.367	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1	609438107	BWFZVIKLOQNZGR-IAGOWNOFSA-N	422.554	5.090	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H]1CCOc2ccccc21	609785157	LWJXTIFHKJGMHQ-NRFANRHFSA-N	412.489	5.341	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1NC(=O)CC(C)C	610227880	OPJHQNDOIORWHQ-MRXNPFEDSA-N	409.555	5.484	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccn1	610335059	MKMJDTFCNSWVPH-HXUWFJFHSA-N	404.445	5.548	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc(-c2ccccc2)cs1	613392096	FOAIDWAPNKDABZ-QFIPXVFZSA-N	410.498	5.879	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccncc2)cs1	619972973	ILEKQGWBAASNHC-OAQYLSRUSA-N	411.486	5.274	30	20	HKED	
O=C(Nc1ccc(F)c(Cl)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642398229	DXXZEGWGYWTPLB-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(C(C)(C)C)no1	728062000	GCRXNVVEXWQBRZ-CQSZACIVSA-N	410.905	5.644	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1ccc(O)c(F)c1	728438622	IVWWMXMFURFZEW-FNORWQNLSA-N	404.260	5.313	30	20	HKED	
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	728466340	RJBBZLMASKAIKS-QHCPKHFHSA-N	422.488	5.179	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)c1	728536806	DWPUNZMHSOTKHD-UHFFFAOYSA-N	407.473	5.360	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1F	729570009	AQPGKVGWKFUYEK-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
COc1ccc(/C=C\C(=O)c2c(C#N)c3n(c2C)CCC3)cc1OCc1ccccc1	730085944	WKCIPYMDMFLOGS-BENRWUELSA-N	412.489	5.098	30	20	HKED	
COc1ccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1[N+](=O)[O-]	730150633	VZFGTCUYOBSJOO-UVTDQMKNSA-N	410.426	5.079	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730696179	REHLHRQXRPBKQX-HZMBPMFUSA-N	407.297	5.797	30	20	HKED	
N#CCOc1ccc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1	731157796	JDVGORZFVVPYPP-UHFFFAOYSA-N	418.547	5.114	30	20	HKED	
N#C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cccc(C(F)(F)F)c1	731645714	QWTWPPFTAJMGRF-SGQUHAKNSA-N	415.802	5.301	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)O[C@@H](c2ccc(Cl)cc2)c2cccnc2)c1	732504942	KHVFOZQAMOUYER-DEOSSOPVSA-N	420.896	5.489	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H]1c1ccc(F)c(F)c1	733033167	JJELKWXNXKNJNN-QHCPKHFHSA-N	403.432	5.129	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)ccc1OC	733278270	SELYIBVGHAQCIR-NRFANRHFSA-N	423.557	5.230	30	20	HKED	
Cc1cc2occ(CC(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2cc1C(C)C	734082040	WMTLDBPNBAOSQF-FQEVSTJZSA-N	415.518	5.802	30	20	HKED	
C=CC[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccncc1	734457771	ONAZSYOVGVAUDY-AWEZNQCLSA-N	421.747	5.759	30	20	HKED	
C=CC[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccncc1	734461504	ZAZZVZQHMFFOPP-IBGZPJMESA-N	401.535	5.508	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1	735033027	DJBXRWFENFXIIH-FQEVSTJZSA-N	407.857	5.278	30	20	HKED	
COc1ccccc1Nc1nnc(SCc2cc(Cl)ccc2OCC#N)s1	735230675	GPEVFSKUCVCQON-UHFFFAOYSA-N	418.931	5.138	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1csc(Cc2ccccc2)n1	735317486	BKQIJAXIWXDMAL-UHFFFAOYSA-N	400.956	5.723	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)SCc2cc(Cl)ccc2OCC#N)c(C)c1	735319974	HEANFHUZQXTPJB-INIZCTEOSA-N	402.947	5.428	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	739154695	CTVCAOMXTYLMPN-ZDUSSCGKSA-N	411.845	5.542	30	20	HKED	
CCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H](C)c1cccc(OC)c1	740484388	LKDCIUYMBBUDFR-KRWDZBQOSA-N	419.550	5.588	30	20	HKED	
N#Cc1ccccc1COc1cccc([C@@H]2NC(=O)c3sc4ccccc4c3N2)c1	742443864	RGPYBXJFKHKATO-QHCPKHFHSA-N	411.486	5.206	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1	742653258	HKVUIYHTKNIECI-ZSMUJPCHSA-N	404.457	6.142	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	743094936	FPBDJYQVWRELKB-DVECYGJZSA-N	413.521	5.446	30	20	HKED	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNc1nc2cc(C(F)(F)F)ccc2s1	743445402	SMEVRIYZDCOWLZ-CYBMUJFWSA-N	419.476	5.020	30	20	HKED	
Sc1nnc([C@H]2CCCCO2)n1N=Cc1ccc(-c2cccc(Cl)c2)s1	743451910	KNKALBXJXNZRLB-OAHLLOKOSA-N	404.948	5.073	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	746436435	GOWLYHYRXVEYSN-OAHLLOKOSA-N	423.284	5.263	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1CC(F)(F)F	748033629	MJDZIXBZBZFXKH-OAHLLOKOSA-N	411.493	5.018	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)O[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	748415671	HQCBIFLGWOKNKD-NSHDSACASA-N	402.237	5.142	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1	749793981	CHRNNQDGOJSIOZ-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
COc1ccc([C@@H]2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1	750300547	CTMXGOCYZYXKSG-RCZVLFRGSA-N	411.505	5.372	30	20	HKED	
C#CC[C@@H](NC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C)c1ccccc1	757064727	MZEYHFMDXUYOFW-WIYYLYMNSA-N	403.551	5.586	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(C)ccc2O)cs1	757468965	WOKFTVBMFPZPQP-UXBLZVDNSA-N	412.898	5.391	30	20	HKED	
O=C(/C=C\c1cn(Cc2cccnc2)nn1)c1ccc(-c2ccc(Cl)cc2F)s1	758040498	QUXFBOUNWOQKJG-XQRVVYSFSA-N	424.888	5.139	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1	760786406	SNAFLXMKRMTCLA-HSZRJFAPSA-N	404.441	5.049	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2sccc2c1	761039524	ZJEFXPKIDSHRGC-IBGZPJMESA-N	412.470	5.655	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1cc(Br)ncc1F	762417312	FBWQNIMOXVIYQG-UHFFFAOYSA-N	412.477	5.175	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1cccc(OCc2ccccc2)c1	765240972	FVDUOKDRPNUYLT-SFHVURJKSA-N	401.466	5.051	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Br)cc1	766621992	CBZLPZYEICJMKS-KUHUBIRLSA-N	421.294	5.053	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(F)cc2Br)ccc1OC	772985995	MMRFIOPZHSXZIS-CJNGLKHVSA-N	421.310	5.129	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3c(F)ccc(Br)c32)c1	772986090	ZRZHUJCZLPGOCD-KUHUBIRLSA-N	403.295	5.046	30	20	HKED	
N#CCOc1ccc(Cl)cc1CNC1(c2cccc(C(F)(F)F)c2)CCOCC1	773916433	RYSRBVRZYHRWQB-UHFFFAOYSA-N	424.850	5.057	30	20	HKED	
N#CCc1ccc(COC(=O)c2csc(-c3ccc(Br)s3)n2)cc1	776111769	NMSIDAQBIBLRHU-UHFFFAOYSA-N	419.325	5.057	30	20	HKED	
CCN(C(=O)Cc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1)c1ccccc1	777629777	IKHUDVIHXCFZCU-SFHVURJKSA-N	401.485	5.466	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1	780671784	UZTHABPUXPDRSS-OPAMFIHVSA-N	405.885	5.542	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nc2ccccc2s1	781445666	XDGDTOLRGLGKFZ-GFCCVEGCSA-N	420.843	5.877	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1O[C@H](C)C#N	782434685	MMPYREOWSPVBBJ-GFCCVEGCSA-N	415.371	5.212	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC(C)(C)Cc1ccc(Cl)cc1	783077766	YCJKBONHECMNDO-OAQYLSRUSA-N	424.972	5.771	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)Nc1ccc(Br)cc1	783736531	YJYNTTZUKKUYSB-LBPRGKRZSA-N	406.374	5.510	30	20	HKED	
C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN2CCC[C@@](C)(C#N)C2)c1=S	784012611	IJNQAXRUMZPKDE-CYFREDJKSA-N	417.582	5.274	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C\c1cccc(NC(=O)c3ccc(Cl)cc3)c1)C2=O	788356265	LPTIRIACRYTYAP-VXLYETTFSA-N	413.864	5.071	30	20	HKED	
CCC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Br)cc1Cl	789086272	QPAWOTWZQDTICB-UHFFFAOYSA-N	404.695	5.170	30	20	HKED	
C#CC[C@H](Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	795335010	SRNXTABJFOHEGA-WMLDXEAASA-N	400.309	5.329	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C\c2ccc(OC(F)F)c(OCC)c2)C(=O)c2ccccc21	802709036	YYVBHAQCCASFOE-OTMARIDSSA-N	416.420	5.003	30	20	HKED	
CN(C)c1ccc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)c(C(F)(F)F)c1	804277181	LHJXILJAOGUMMI-UHFFFAOYSA-N	412.280	5.321	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	806521068	XVMLLESMEIXONB-XMMPIXPASA-N	413.562	5.060	30	20	HKED	
Cc1ccc(Cn2nc(C)c(/C=C3/C[C@@H](C(=O)O)c4ccccc4C3=O)c2Cl)cc1	806562097	FWTOAXGKAIBXSM-DGJFXRHUSA-N	420.896	5.040	30	20	HKED	
C#Cc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	810533069	ULAWYWIAMGOOIT-QGZVFWFLSA-N	411.313	5.517	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1c(F)cc(C(F)(F)F)cc1F	812835217	MRLQHBKIPXIKOA-UHFFFAOYSA-N	405.706	5.127	30	20	HKED	
CCOc1cc(C#N)cc(Br)c1OC(=O)OCc1ccc(Cl)cc1	820768692	VBPHZCCQSPJJGA-UHFFFAOYSA-N	410.651	5.088	30	20	HKED	
O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc(Cl)c(Cl)c1	916137143	PUDGNENCHFRKJT-SOFGYWHQSA-N	413.304	5.274	30	20	HKED	
CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1	916211248	LUZZULZOFGNETC-FQEVSTJZSA-N	409.555	5.064	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916628238	NYFDHOSBYLSFTB-OAQYLSRUSA-N	418.518	5.357	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)sc21	916919198	TYUANIJMWXJWOR-IBGZPJMESA-N	423.497	5.507	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1cccc(C#N)c1	920669795	AJMXHBYWVQHKNI-CQSZACIVSA-N	412.898	5.232	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc2nc(O)oc2c1	1668492267	SZCSDNPOZXTJLA-CQSZACIVSA-N	414.421	5.080	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1	1786103282	OPJRPCHMNZDKHR-UHFFFAOYSA-N	412.917	5.449	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1	1790281946	QLSFOZJUAFBGTD-UHFFFAOYSA-N	402.416	5.029	30	20	HKED	
N#Cc1ccc(C(=O)COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1	10712375	TYLPCGZIEORRJH-UHFFFAOYSA-N	419.487	5.013	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccc(C#N)c1	63325190	PNIBIGYLOZAZOJ-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1CN(C)C1CCCCC1	63389203	KLBQGLFZZAZZFR-UHFFFAOYSA-N	416.569	5.543	30	20	HKED	
COc1ccc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OCCCC#N	64367536	MERIRIPLLUHGMH-ACCUITESSA-N	415.493	5.076	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CCSc2ccccc2Br)cc1	116101303	XUCYHLLPVNWWGE-UHFFFAOYSA-N	403.345	5.187	30	20	HKED	
CCO[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	195655191	VZICWXLZKXPYJX-GMAHTHKFSA-N	404.897	5.712	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1	302659311	FKMCHOCLGRVZPN-UHFFFAOYSA-N	413.502	5.089	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N(C)Cc3cccc(C#N)c3)s2)cc1	303266498	GHKGGQLYDKNXQB-QGZVFWFLSA-N	404.539	5.201	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1	303377599	LSFFSXVEJPJTEV-YJBOKZPZSA-N	422.579	5.917	30	20	HKED	
Cc1nc(CCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1	426168966	WXAPHLWTRJVZGO-FQEVSTJZSA-N	409.942	5.722	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	428429040	BGAJKHLGEOUXBH-UHFFFAOYSA-N	420.431	5.204	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1	432836011	RJPLKQPBHYZVKD-UHFFFAOYSA-N	421.566	5.002	30	20	HKED	
N#CCCn1cc(CN(Cc2c(F)cccc2F)C2CCCC2)c(-c2ccncc2)n1	435135170	MTHHDNRTTGEZEZ-UHFFFAOYSA-N	421.495	5.082	30	20	HKED	
C[C@@H]1C[C@@H](C)CN(c2nnc(SCCCCC(C)(C)C#N)n2Cc2ccco2)C1	436207241	XAHGHHMVRBBZKP-QZTJIDSGSA-N	415.607	5.214	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	437461181	TZPIMTIYHHFLKA-CYBMUJFWSA-N	411.458	5.296	30	20	HKED	
C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1	437725223	XXGMPIIDFDJOIR-AUUYWEPGSA-N	404.457	5.544	30	20	HKED	
C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1	437725236	XXGMPIIDFDJOIR-IFXJQAMLSA-N	404.457	5.544	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1	438830331	GSDCKSAMOKUODW-UHFFFAOYSA-N	419.978	5.542	30	20	HKED	
CCN(Cc1ncc(-c2ccc(Br)cc2)o1)[C@@H](C)c1ccc(C#N)cc1	441238690	UYRKRHMVSBBWSQ-HNNXBMFYSA-N	410.315	5.559	30	20	HKED	
CCN(Cc1ncc(-c2ccc(Br)cc2)o1)[C@H](C)c1ccc(C#N)cc1	441238691	UYRKRHMVSBBWSQ-OAHLLOKOSA-N	410.315	5.559	30	20	HKED	
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	442391234	DPMWGNKYZFZZHA-BEFAXECRSA-N	407.926	5.510	30	20	HKED	
CC(C)(CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)CC(=O)c1ccccc1	442750943	JYVOSJORQXKGJI-SFHVURJKSA-N	402.416	5.076	30	20	HKED	
C[C@@H]1COc2ccccc2N1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	443941719	ACJZOOGMMDOCEH-OAHLLOKOSA-N	404.853	5.432	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1	445827465	QDPBMECQYCTKQN-KRWDZBQOSA-N	407.807	5.398	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cc(-c3cccnc3)on2)c1	460336833	BRHABFYHMSWSDJ-UHFFFAOYSA-N	414.852	5.109	30	20	HKED	
CC[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(OC)cc1	463946906	FZVGUCVUODYVGN-QGZVFWFLSA-N	422.472	5.852	30	20	HKED	
CC(C)CN1CC[C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	465154596	JQPGYWOFDFAJOL-PGRDOPGGSA-N	424.976	5.095	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)c3cccc(OCc4ccccc4C#N)c3)co2)cc1	465191041	JGIZQJBBUKQFNO-UHFFFAOYSA-N	423.472	5.031	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cccc(Oc4ccccc4)c3)ccc21	468750895	ABGNADXZCOUBHR-UHFFFAOYSA-N	411.505	5.674	30	20	HKED	
CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2c(c1)CCCO2	469171666	FUBXHRCQGWRSAW-QFIPXVFZSA-N	403.526	5.158	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470541015	CYNIQCXURQRZDB-MRXNPFEDSA-N	424.932	5.148	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1nnc(-c2ccc(Br)o2)o1	471661074	ZSWFPQFIGIERIN-NSHDSACASA-N	419.304	5.098	30	20	HKED	
C[C@@H](NC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1ccc(-c2cccc(C#N)c2)cc1	474005044	KKTGKSPRXLNICO-XHCCPWGMSA-N	423.516	5.127	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1cc(Br)cs1	475584183	OJQBTHZBBSAEAW-UHFFFAOYSA-N	407.377	6.026	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1	475585424	RESSGHZWDKLVPO-QHCPKHFHSA-N	422.569	5.760	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ncc(C(F)(F)F)s3)cc2)cc1	475870778	OSUUWXXBLHMNRZ-UHFFFAOYSA-N	403.385	5.273	30	20	HKED	
Cc1coc(-c2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccc2C)n1	478526619	KUNJWBFFOFTXAY-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3c(F)c(F)cc(F)c3F)c2)cc1	480718801	FUWOXXOOZXQKNP-UHFFFAOYSA-N	414.358	5.140	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)cc1OC	481868523	VUNUQRFQKHTALK-UHFFFAOYSA-N	405.498	5.130	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Br)c(C)cc2C)cc1	486355391	SASGMTDMKNDWNJ-UHFFFAOYSA-N	417.307	5.017	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccc1	487174118	CDWRMFAMVIUCQB-OTWHNJEPSA-N	402.416	5.240	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C	488852952	KXEDVZZRJCFMFY-CQSZACIVSA-N	406.910	5.282	30	20	HKED	
C[C@@H](NC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(C#N)cc1	489838466	IYPFHZGGPARUPL-QZTJIDSGSA-N	417.484	5.398	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCC(OC3CCCCC3)CC2)c1	495672167	VRXGLRHRLOFLDV-UHFFFAOYSA-N	418.537	5.091	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(Br)c(F)c1	502049638	JUHXMZXJUKXYAH-GFCCVEGCSA-N	407.308	5.021	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1	505373456	SMQNOACIDGRAPH-HXUWFJFHSA-N	414.347	5.083	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cs1	505830030	BAIRQCSGWILVLU-SFHVURJKSA-N	413.955	5.392	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)oc2c1	508279253	MKIJPELOIXGBSA-UHFFFAOYSA-N	410.473	6.162	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1	508298006	HSGLZJASOSUQRP-IBGZPJMESA-N	419.506	5.790	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	513194141	MBTKEWKDLFNTKG-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
CC(C)CN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccc(C#N)cc1	513556424	HYZSYYQKYXBAHJ-UHFFFAOYSA-N	423.601	5.193	30	20	HKED	
Cc1ccnc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12	513618767	GJLPPTLACLRJAE-SFHVURJKSA-N	403.894	5.810	30	20	HKED	
Cc1nc2cc(F)ccc2cc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	515701187	KLYUKUXEPYOXNT-UHFFFAOYSA-N	413.477	5.633	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	515716208	FRKKZECDXCECDD-WMZOPIPTSA-N	416.456	5.295	30	20	HKED	
CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(-c2ccccc2Cl)n1	517463865	OMIANANNWPRUBT-HNNXBMFYSA-N	418.884	5.590	30	20	HKED	
Cc1csc(Nc2ccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)n1	517680374	WCEZMSOKQDVTIR-UHFFFAOYSA-N	423.567	5.118	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Cl	518137378	CXUKPELOTQCPFM-ZDUSSCGKSA-N	409.338	5.653	30	20	HKED	
CC(C)CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	518516752	WCODHGQZAPHULS-NRFANRHFSA-N	415.518	5.597	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1	519515795	WXXRUIPFRGNJRC-LJQANCHMSA-N	400.547	6.242	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	520714316	NEWAEBIBYBYEJH-ZEQRLZLVSA-N	414.480	5.351	30	20	HKED	
CCOc1ccccc1CCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	520837115	JUBLIYFMZGPQFA-UHFFFAOYSA-N	422.472	5.681	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1SC[C@H](C)C#N	522171838	AWALJWGXLRPNPO-OLZOCXBDSA-N	409.338	5.651	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[nH]c12	524034290	VTDJOKVZVASASL-QGZVFWFLSA-N	411.421	5.013	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(O[C@H]4CCOC4)cc3)cc2)c1	524831100	QLWNXHLGKYQXNN-QHCPKHFHSA-N	415.449	5.162	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)s1	525051026	KCOZJUNOOMOFGF-QGZVFWFLSA-N	419.550	5.298	30	20	HKED	
N#Cc1cccc(-c2nnc(CSc3nc(-c4ccco4)nc4ccccc34)o2)c1	525624166	PBBDMUSRQIPCGI-UHFFFAOYSA-N	411.446	5.104	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccco1)c1ccccc1	532699400	MFOBHQIDXHTIID-GOSISDBHSA-N	405.523	5.177	30	20	HKED	
CC(C)(C)c1nn(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)c(O)c1CCC#N	533911565	CFBVMSAPKBIZGP-UHFFFAOYSA-N	418.419	5.064	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)cc1	537453672	MYWWKRMLAKHXJX-LJQANCHMSA-N	410.517	5.751	30	20	HKED	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1	537654741	GJZPNBWIXWHDNY-WWOZWPLTSA-N	418.562	5.068	30	20	HKED	
C=CCCOCCCCC(=O)Nc1nc(-c2sccc2Br)cs1	538419668	WQXQJJUGFRPHIR-UHFFFAOYSA-N	415.378	5.336	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)cc1	538584731	ZTWHGZZJQFGLQJ-KRWDZBQOSA-N	424.928	5.002	30	20	HKED	
CC(C)(C)c1cc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c(C#N)s1	539173658	QWAWAVHEFYTCDF-UHFFFAOYSA-N	413.543	5.285	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl	539290104	VUOFSEGHTKAHKJ-AOMKIAJQSA-N	415.990	5.660	30	20	HKED	
N#CC1(CCCSc2nnc(-c3cccs3)n2-c2ccccc2)CCOCC1	539670403	ZLUHFOVDNJKKGT-UHFFFAOYSA-N	410.568	5.188	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	540496473	RAGSHSCBCVMKPO-UHFFFAOYSA-N	402.498	5.256	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)Nc2ccccc2CCC(F)(F)F)n1	540981136	IEJXBIMXCJNVDK-UHFFFAOYSA-N	417.366	5.022	30	20	HKED	
CN(C(=O)c1cccc(CC#N)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	543106522	FFINDGAWSNDKAC-INIZCTEOSA-N	400.322	5.147	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	544614535	SOVLFNJOZXGHSF-IEBWSBKVSA-N	421.394	5.100	30	20	HKED	
C=CCN(CCC#N)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	552756680	OFBZEPXTRZJNIG-UHFFFAOYSA-N	408.354	5.323	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)NCC(C)(C)CCC#N)cc1	554076322	KYTHRNYFROJUOJ-UHFFFAOYSA-N	417.578	5.774	30	20	HKED	
CCc1c(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1CCC(C)C	574305247	FLIQHBIQNLSGRF-UHFFFAOYSA-N	418.501	5.195	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OC1CCC1)c1nc(-c2c(F)cccc2F)cs1	605362747	QZPRGGICRAYNBF-HNNXBMFYSA-N	410.445	5.510	30	20	HKED	
C=CCn1c(SCCOc2cc(Cl)cc(Cl)c2)nnc1-c1ccncc1	607436397	ITXFZBPOPWIZLG-UHFFFAOYSA-N	407.326	5.004	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1	608802588	YRGAJXIBCURHML-UHFFFAOYSA-N	416.433	5.024	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC	609062634	AENRQKRRVLHOBZ-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
C[C@@H]1CCCCN1CCCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209187	UUUXTIKEKUPYKS-LJQANCHMSA-N	406.530	5.127	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	609428145	ARDWELCHQVHCAG-QZTJIDSGSA-N	417.534	5.868	30	20	HKED	
CC(C)CN(CCc1ccc(F)cc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609499217	CAUHYADSSYTUAN-UHFFFAOYSA-N	417.484	5.226	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	609712342	AZAGEWOFCJJKDS-RTBURBONSA-N	422.598	5.428	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1	609811303	YURBMQOQOKVBCW-LAUBAEHRSA-N	408.571	5.373	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1	609855852	JNJZUNYBBPVZLS-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
CC(C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(F)c1	609928085	UVEUBWRCZJGAHU-UHFFFAOYSA-N	417.484	5.528	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2SCCC#N)c1	610174758	APFBIAWHFHBRSV-UHFFFAOYSA-N	401.919	5.193	30	20	HKED	
COC(=O)c1csc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C	611448116	LCAPBDWGLLVGQV-UHFFFAOYSA-N	408.504	5.118	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1C(C)C	613405035	ZYZVRBZJKJESPA-HNNXBMFYSA-N	405.445	5.804	30	20	HKED	
O=C(Nc1ccccc1OC(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642409955	NKOLFBHHGLSWCE-IUCAKERBSA-N	420.300	5.319	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1NC(C)=O	726428734	PDXBUIQWKBYRSN-NTMALXAHSA-N	422.462	5.186	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2c2ccccc2OC)c1=S	727829144	GBYWLXGPCDMVLW-HXUWFJFHSA-N	424.545	5.209	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C\c3nc4ccccc4s3)cc2)c1	728006046	POWATMHTRLCZKM-SEYXRHQNSA-N	411.486	5.399	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1	728479372	PFDRETNBAFCDBP-UHFFFAOYSA-N	411.530	5.275	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2ccccc2o1	730398805	NVMKMSUSWDZQCV-XMSQKQJNSA-N	402.450	5.677	30	20	HKED	
CC[C@H](NC(=S)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccs1	734373427	LGYADMXIXWQUTK-FQEVSTJZSA-N	407.564	5.636	30	20	HKED	
CCCN(C)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	735910693	BTPIZAFCTZQZDI-MRXNPFEDSA-N	417.456	5.651	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1	736485488	SQBZROUPYHUXJJ-UHFFFAOYSA-N	402.841	5.038	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F	741644315	XTSMZRJHCPJVEE-UHFFFAOYSA-N	411.379	5.044	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1F	741840875	GPJGEMJHPSFADX-VQHVLOKHSA-N	420.914	5.507	30	20	HKED	
N#Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)ccc1N1CCC(O)CC1	742385923	FUKOGSWEXDFQNR-UHFFFAOYSA-N	410.732	5.092	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2ccc(OC(C)(C)C)cc2C(F)(F)F)cc1	742392244	OGFQLRNSVUZLIX-UHFFFAOYSA-N	419.491	5.522	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)[nH]1)c1ccc(OC(F)F)cc1OC(F)F	742429383	OMIQYIDWTATLRW-TWGQIWQCSA-N	406.335	5.176	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)s1	745447804	KNEIGRIVRJHYJH-GOSISDBHSA-N	420.534	5.297	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)N(C)c3snc(C)c3C#N)c2)c(C)c1	748245695	XWMATDGWOZDVTI-UHFFFAOYSA-N	407.564	5.509	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OC	749452130	NJPCFZOESQSAPE-MRZGDXHCSA-N	406.425	5.379	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc1C#N	752294949	OKOORYGCQKBTSA-ZDUSSCGKSA-N	400.866	5.005	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c1	752666145	KLTBPAIKSLVRDY-JOCHJYFZSA-N	406.482	5.002	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(Sc3ccccc3)cc2)ccc1S(C)(=O)=O	753900067	HIYJHCRNRVAWLL-GXDHUFHOSA-N	424.543	5.146	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cccn2Cc2cccs2)cc1	755593894	PTGBZAYJCHNDDB-UHFFFAOYSA-N	413.959	5.017	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1	756227136	OQRIDPQUAZVUIB-LJQANCHMSA-N	416.477	5.858	30	20	HKED	
CCOc1ccc(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1	757615885	RBXBAVRFMXQKML-LBPRGKRZSA-N	406.269	5.554	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N	758121706	IGURWDWTDJNMTP-ZIAGYGMSSA-N	418.415	5.275	30	20	HKED	
C#CCC(C)(C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	767646788	MKTMMGFYGVAUEN-UHFFFAOYSA-N	418.946	5.191	30	20	HKED	
Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cn(CCCC#N)c4ccccc34)o2)c1	769547801	XUYQOWXMRLMDKG-QGZVFWFLSA-N	414.465	5.222	30	20	HKED	
Cc1sc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)nc1-c1ccc(Cl)cc1	776162941	CIMRDNWDBRMWRH-LSDHHAIUSA-N	411.958	6.086	30	20	HKED	
N#CC1(c2ccc(COC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)cc2)CC1	777146634	YHXSGOVVEADHRE-UHFFFAOYSA-N	416.091	5.607	30	20	HKED	
C#CCOc1cccc(Cl)c1CNc1ccc(NC(=O)c2ccco2)c(Cl)c1	778160467	XOIOLARITXOXNL-UHFFFAOYSA-N	415.276	5.463	30	20	HKED	
C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1	778416240	GIONRUKMAUXEBY-LJQANCHMSA-N	424.497	5.370	30	20	HKED	
CC(=NNc1nc2cc(Cl)ccc2cc1C)c1cc2c(s1)SCC(=O)N2	778550524	CDYLBZCYNNUJAM-UHFFFAOYSA-N	402.932	5.138	30	20	HKED	
C[C@@H]1C(=O)CC[C@@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C1(C)C	781452652	UDALHQYIFOTWCN-WXHSDQCUSA-N	408.445	5.133	30	20	HKED	
COc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1Cl	782231508	LSISZNKDZANHMK-UHFFFAOYSA-N	403.873	5.042	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)cc1	782235083	RCEGYNDZUVKGOZ-OAHLLOKOSA-N	417.456	5.313	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](c2cncc(Br)c2)C2CC2)cc1	793574066	YHLJJAXOKWLZPM-VBKZILBWSA-N	421.766	5.777	30	20	HKED	
COc1ccc(-c2nc(/C=C\C(=O)c3cc(Cl)c(OC)cc3OC)cs2)cc1	797106737	FNYGCTJCMPCXFS-TWGQIWQCSA-N	415.898	5.385	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1	797144009	XCGYZCSXZWLZRR-NRFANRHFSA-N	409.498	5.138	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2cc(F)ccc2Br)s1	797566445	JZHOIAIKPUUNSR-ZDUSSCGKSA-N	409.324	5.151	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@@H](c2ccccn2)C1)c1ccc(C(F)(F)F)cc1	798443317	DEEIQFNWJIYBIQ-YLJYHZDGSA-N	403.448	5.307	30	20	HKED	
CC(/C=C(\C(=O)C(=O)O)c1ccc2ccccc2n1)=C\c1ccccc1C(F)(F)F	799888129	AOWQPWRWLQLXAQ-PZAFVPBJSA-N	411.379	5.394	30	20	HKED	
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cnn(C2CCCC2)c1	799898207	ZTVBFZCNVXJSQF-SEYXRHQNSA-N	423.520	5.201	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc(C(F)(F)F)cnc1Cl	800127155	IRJBPWDIHAMUNZ-UHFFFAOYSA-N	416.680	5.086	30	20	HKED	
C#C[C@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1ccc(Cl)cc1F	804420665	CSPDLTRHQHOAJH-INIZCTEOSA-N	406.766	5.150	30	20	HKED	
COc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1OCc1ccncc1	810133555	MDAYZVWOKNQPOW-UHFFFAOYSA-N	413.399	5.172	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)cc(Cl)n3)cn2)c1	810333792	KTRRZWAEGPLRMA-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
N#Cc1c(F)ccc(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)c1Cl	864003330	MFNSVBSOJXWWRJ-UHFFFAOYSA-N	406.288	5.242	30	20	HKED	
CN(CCOc1ccccc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915351458	CIKZNYCIBZOTTJ-NRFANRHFSA-N	419.912	5.538	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc3ncccc23)cs1	915964762	MXNCMAJZPDEWTJ-UHFFFAOYSA-N	421.913	5.475	30	20	HKED	
O=C(/C=C/c1c(OC(F)F)ccc2ccccc12)c1ccc(N2CCOCC2)cc1	916138394	KBVCKVGWTMGTEX-ZHACJKMWSA-N	409.432	5.174	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccccc2C)ccc1OCC(=O)Nc1ccccc1	916155899	LIFARMRCUUVQMT-FYWRMAATSA-N	415.489	5.307	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12	916903126	LHIWPJILULVTPV-JOCHJYFZSA-N	424.500	5.601	30	20	HKED	
C=CCc1cc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc(OC)c1OC	10292984	HYCYUOSEISJDEJ-OAQYLSRUSA-N	411.498	5.152	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1cccc(C)c1	17708687	ILLGTFDRRJERJX-AWEZNQCLSA-N	409.540	5.404	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1	22804237	ZFWBOHUCHRDJGH-UHFFFAOYSA-O	424.417	5.517	30	20	HKED	
Cc1sc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c(C#N)c1C	27447921	ZFEDDYNRDBXQGK-UHFFFAOYSA-N	417.943	5.107	30	20	HKED	
Cc1csc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	46943075	GXWNWLHSHDCUTR-GOSISDBHSA-N	410.930	5.125	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(SCc2ccc(OCc3ccc(F)cc3)cc2)n1	63536367	TVWOSQYZAUJKOZ-UHFFFAOYSA-N	422.481	5.140	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2[nH]c(C(F)F)nc2c1	110683546	DAXXZYPIDQMZFS-UHFFFAOYSA-N	419.391	5.120	30	20	HKED	
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1F	210970554	URORVPRHKADXRS-FLIBITNWSA-N	401.416	5.168	30	20	HKED	
CCN(Cc1ccccc1NCc1cccc(OCc2cccc(C#N)c2)c1)C(C)=O	236984814	ZNTGMRYKTZXLES-UHFFFAOYSA-N	413.521	5.118	30	20	HKED	
COc1cccc([C@@H](NCc2cccc(OCCCC#N)c2)c2ccccc2Cl)c1	237295924	GMFJNZBOPSANCP-RUZDIDTESA-N	420.940	5.910	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2c(F)cccc2Oc2ccccc2)c(OC)c1	410033511	KVNCLAVXZJEALR-UHFFFAOYSA-N	407.441	5.373	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1)c1ccc(F)c(F)c1	426137406	GVKVTTISOCOIKR-JOCHJYFZSA-N	418.459	5.112	30	20	HKED	
Cc1nc(CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1	426695989	PYZRHQHYVWFCSL-UHFFFAOYSA-N	405.523	5.172	30	20	HKED	
Cc1sc(NC(=O)c2ncc(C#N)cc2Cl)nc1-c1cccc2ccccc12	428759087	NUORPLBODNDVQE-UHFFFAOYSA-N	404.882	5.444	30	20	HKED	
Cc1nc(-c2ccccc2)ncc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	429012703	UDJDVBJGOTXBCZ-UHFFFAOYSA-N	422.513	5.403	30	20	HKED	
Cc1ccncc1CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	431890755	UBATUFYDHYAEQC-OAQYLSRUSA-N	404.901	5.363	30	20	HKED	
N#CCCn1ncc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1-c1ccccc1	436260310	GZSCTBRRZUPLMT-XMMPIXPASA-N	418.500	5.256	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H](c2ccccc2)CO1	437377171	OMNPTSDJHIPNQK-UZUQRXQVSA-N	416.452	5.092	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C)cs1	438064006	IOOUXXTZPCGMOZ-QFIPXVFZSA-N	406.511	5.562	30	20	HKED	
COc1ccc(Oc2ccc(NC(=O)Nc3cccc(OCCCC#N)c3)cn2)cc1	438414785	XUWMNGPOUUKBDT-UHFFFAOYSA-N	418.453	5.209	30	20	HKED	
CCN(CCC#N)C(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1	439138401	VJHALBZZMZAJRQ-UHFFFAOYSA-N	421.353	5.137	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc3cc(OC)ccc3c2)nnc1-c1ccoc1C	439280988	FGBCAHRZUWRGDP-INIZCTEOSA-N	405.523	6.048	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1	439314741	NWECXKYXACZHNZ-SFHVURJKSA-N	416.447	5.472	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1cccc(F)c1	440363430	DDAHRWLWVCCXOA-NVXWUHKLSA-N	401.507	5.199	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1OC(F)F	460235161	RAQARMXKILKEFP-NVXWUHKLSA-N	405.832	5.245	30	20	HKED	
Cc1ccnc(Oc2cc(NCC(=O)Nc3ccccc3SCC#N)ccc2C)c1	462172253	SZZZRLISDMLQJA-UHFFFAOYSA-N	418.522	5.157	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)CCc1nc2cc(Br)ccc2s1	463334424	IOKFHDAAGXRSJM-UHFFFAOYSA-N	421.385	5.268	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	463743515	CKEYQJVPEZUWEV-CQSZACIVSA-N	413.518	5.314	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc1	463952539	DIJUKKKUCYFFSK-HSZRJFAPSA-N	402.457	5.094	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1OC	464955278	SSYKVTDCTKWGQP-ICSRJNTNSA-N	412.917	5.049	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(=Cc2ccccc2F)CC1	465253039	MPYADIZBTYTLRB-QGZVFWFLSA-N	409.530	5.931	30	20	HKED	
C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Cc1cccs1	466133093	MTNOUMFFPHOPNT-SFHVURJKSA-N	419.550	5.393	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1Cl	469294502	WPXDFNUUTUUQCY-AWEZNQCLSA-N	402.325	5.749	30	20	HKED	
COC1CCC(C)(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	473282362	IISIFYVYDAONJJ-UHFFFAOYSA-N	408.567	5.176	30	20	HKED	
C[C@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)c1ccc(C#N)cc1	473480317	MZNPKAVEAYZDAG-HNNXBMFYSA-N	412.331	5.004	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1	473553266	NKNCSPPWNVNUBA-HNNXBMFYSA-N	405.498	5.038	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1	475311076	RNXKGPGTYOSIJG-UHFFFAOYSA-N	404.853	5.246	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(Cc2ccccc2F)s1	475408505	IKIBZUSSNILJFW-CQSZACIVSA-N	411.527	5.377	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	475548284	JAXOAHWPXYTFOT-HXUWFJFHSA-N	411.933	5.119	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1nccn1Cc1ccccc1	475561717	CPPUYCBNXYFNEX-UHFFFAOYSA-N	402.542	5.148	30	20	HKED	
N#C[C@H](C(=O)c1cnc(Cc2ccccc2F)s1)c1nc(-c2ccccc2)cs1	478091685	ZZWWMKBTPXJKOS-MRXNPFEDSA-N	419.506	5.487	30	20	HKED	
C=C[C@@H](CC(=O)N(CCc1ccccn1)Cc1ccc(OC)cc1)c1ccccc1	478145809	HEQMWQCFFZBXJY-QFIPXVFZSA-N	400.522	5.021	30	20	HKED	
COc1ccc2[nH]cc(Cc3noc(/C=C\c4cn(CCC#N)c5ccccc45)n3)c2c1	478340833	NFDDHXIILWTUTQ-YFHOEESVSA-N	423.476	5.189	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C	478694590	JCECPXWUPYUQHY-KRWDZBQOSA-N	402.498	5.060	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1cnc2ccccc2n1	483225598	FPNFPZGXRDCEOX-MRXNPFEDSA-N	422.469	5.503	30	20	HKED	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	487065216	WGWZZMRQXCQSKQ-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
COc1ccc([C@H](NC(=O)CNc2ccccc2S[C@H](C)CC#N)C(C)C)cc1	487380374	REENXRRNYDFGQN-UZUQRXQVSA-N	411.571	5.015	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)o1	487473035	LPOKTDGKHFPRHZ-HXUWFJFHSA-N	404.466	5.032	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NC34CCC(C(F)(F)F)(CC3)CC4)cc2)nc1	488462073	QQNUMXZELPQNST-UHFFFAOYSA-N	415.415	5.131	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1CCCc1ccccc1	494049237	MZECMMRCYFOFKU-CTNGQTDRSA-N	407.583	5.958	30	20	HKED	
N#CC1(CCCN[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)CCOCC1	499612964	SZZVSYQUQXCZAO-SFHVURJKSA-N	400.872	5.500	30	20	HKED	
CCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](C)CC(=O)Nc1ccccc1	503818751	BPUVNQQWESYPRF-SFHVURJKSA-N	406.530	5.149	30	20	HKED	
N#C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1cccc(Cl)c1Cl	505341746	CYSDBUPMOAJXST-QGZVFWFLSA-N	423.727	5.076	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	505928994	XYJRNZNFFSWTPU-HNNXBMFYSA-N	410.282	5.008	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1	508865961	XJWCLUGXRNZFMY-KRWDZBQOSA-N	415.463	5.094	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1	512214611	QZJURMCWNLYACY-UHFFFAOYSA-N	402.972	5.206	30	20	HKED	
COc1ccc(Cl)cc1N(C)C(=O)c1cccc(COc2ccccc2C#N)c1	513271167	CJIGQEGVRIWCBI-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
C=CCN(Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	514858467	NYSTYGFRRPAOCM-LBPRGKRZSA-N	402.869	5.436	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	517117887	CKISWERGVQRPRM-UHFFFAOYSA-N	411.505	5.609	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc21	520813344	AYOJCVNDEBWROE-INIZCTEOSA-N	422.579	5.347	30	20	HKED	
CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2cn(CCC#N)c3ccccc23)cs1	522893223	CISGCFAAWVTOOG-HXUWFJFHSA-N	414.534	5.560	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1	523011043	AWXOLIIJIQGHDN-CVEARBPZSA-N	401.963	5.829	30	20	HKED	
C=CC[C@H](C)NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	523983573	MMPASXGKYJNEAS-HNNXBMFYSA-N	411.889	5.660	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccncc1	524441081	QWOYYRFEDKFHGE-DEOSSOPVSA-N	412.493	5.210	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cccc(CN(C)C)c1	524540175	TXSPBPFPAJFKJG-UHFFFAOYSA-N	414.509	5.151	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCN(CC2CCCCC2)CC1	524565899	JGGHGHCEWBVBGE-IBGZPJMESA-N	414.619	5.058	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccccc1	535345063	LZNJEBSGAIXWMF-INIZCTEOSA-N	405.885	5.286	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccc(C(F)(F)F)cc1	536842269	YSSVULBMJCRZSO-BTYIYWSLSA-N	420.475	6.031	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	537025435	VHMAQSZJQVCDRQ-ROUUACIJSA-N	411.571	5.157	30	20	HKED	
CC(C)[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C(F)(F)F)c1	537058072	HTJICYFJOVOVRX-LJQANCHMSA-N	400.404	5.114	30	20	HKED	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	540557280	GYZPGQOPWOTCMR-AVYPCKFXSA-N	401.507	5.118	30	20	HKED	
CN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	540640918	RFAISPWNZKWSKS-PMACEKPBSA-N	401.432	5.571	30	20	HKED	
CN(C(=O)c1cccc(CC#N)c1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	543106523	FFINDGAWSNDKAC-MRXNPFEDSA-N	400.322	5.147	30	20	HKED	
CCO[C@@H](C)c1nc(CC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	543893782	AOPKOTYSOOEFBM-SJORKVTESA-N	419.550	5.199	30	20	HKED	
CCN(C(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1	544742725	OHQSNJVREOKRBE-GOSISDBHSA-N	406.526	5.166	30	20	HKED	
CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1(C)C	545375195	OSFZJMQYBZERLU-IRLDBZIGSA-N	404.510	5.026	30	20	HKED	
COc1cc(-c2noc([C@H](C)Oc3ccccc3C#N)n2)cc(Cl)c1OC(C)C	546936938	GQBWEOBQNOCUCJ-ZDUSSCGKSA-N	413.861	5.197	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(F)(c4cccnc4)CC3)cc2)cc1	551662726	PBFUXVNWDQOUBP-UHFFFAOYSA-N	415.468	5.041	30	20	HKED	
CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1	552685607	SOMAIIPGCXBORF-DEOSSOPVSA-N	404.510	5.428	30	20	HKED	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	554399009	JWRCYWXNMWLZHC-FRGLQRNOSA-N	422.960	5.086	30	20	HKED	
CC[C@H](C)n1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C	554438327	CQYRJSOMIWVVPC-LBPRGKRZSA-N	410.465	5.439	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12	554620930	PEKMVKDDYIPDAK-SFHVURJKSA-N	408.521	5.605	30	20	HKED	
CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	560078145	NICFLJJYSUHFAU-QHCPKHFHSA-N	405.448	5.182	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)cs1	571092735	VEZDCFZLJXOPHI-OAHLLOKOSA-N	407.514	5.284	30	20	HKED	
N#CCCC[C@H](N[C@H]1CCc2c(Br)cc(Cl)cc21)c1ccccc1	572428646	GYFHYXPEHBYWQC-PMACEKPBSA-N	403.751	6.115	30	20	HKED	
CC(C)(C(=O)NCC#Cc1ccccc1)c1csc(-c2c(F)cccc2Cl)n1	579896544	PANMWNYUOFINQD-UHFFFAOYSA-N	412.917	5.048	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)oc2c1ccc1ccccc12	592975508	HKYXKESLMSMHIZ-QGZVFWFLSA-N	400.434	6.133	30	20	HKED	
C[C@@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(=O)c1ccccc1	602092411	WXSLEIWAMNDEKC-IBGZPJMESA-N	412.489	5.179	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc2c1CC[C@H](C)C2	603601402	ZLLZPLJJIWGHKE-AWEZNQCLSA-N	403.507	5.493	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(OC(F)F)c1	603668969	WHCKNWHVVBDKCF-HNNXBMFYSA-N	424.472	5.802	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc3ccccc3c2)cc1	604003878	ORWGPCFLHLVUFQ-UHFFFAOYSA-N	406.485	5.666	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	609054870	PFBYBOGYPXEION-AWEZNQCLSA-N	414.383	5.240	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)Cc1cccc(OCc2ccccc2C)c1	609261871	GRJXEAAYTJTXGY-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2ncccc2c1	609378295	ARYXASMOYSECIY-UHFFFAOYSA-N	401.413	5.512	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Oc2ccccc2)nc1	609434856	VIIIYZJOAGQLKG-QGZVFWFLSA-N	418.522	5.590	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1	609517963	JYXHSRRVQSZPIS-MSOLQXFVSA-N	403.309	5.442	30	20	HKED	
C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	609576267	UIHYLRZMOBINRU-HIFRSBDPSA-N	400.466	5.245	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)N[C@H](C#N)c3ccccc3Br)ccc2c1	609590861	NDMAPMWLLGTVMZ-LHSJRXKWSA-N	423.310	5.095	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1	609732954	UPVYGHCRKKRCAI-HXUWFJFHSA-N	422.271	5.652	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3coc(-c4ccccc4)n3)cc2F)c1	609970515	NBQPQXKAVSPGKO-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
C[C@H](Nc1ccccc1OCC1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	610140054	RGJYLOWDACHUNC-HNNXBMFYSA-N	409.555	5.117	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2c1	610275682	KQHJJCYAJFAQRE-KBPBESRZSA-N	401.354	5.290	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)o2)cc1	611917700	FCOCIHYFMJNWBM-UHFFFAOYSA-N	423.428	5.460	30	20	HKED	
CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)[C@H](C#N)c2ccccn2)cc1	613296622	PBUYLXQFXVUKRD-OAQYLSRUSA-N	406.489	5.295	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccc1	613319853	NEMUNGTUKWOAKC-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCCCC(=O)c3ccccc3)c2)c1	613771911	VIRDWERJSNNKEY-UHFFFAOYSA-N	412.489	5.519	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCc1ccccc1Cl)c1nc2ccccc2o1	614439863	QWPGCTACDAJFOO-KRWDZBQOSA-N	402.837	5.550	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1SCC(F)(F)F	615491500	JBGVMRVLKHCAOU-UHFFFAOYSA-N	410.461	5.570	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccnc2)nnc1-c1ccc(Br)cc1	618427964	NACZDLSTVPWFSX-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
O=C(Nc1cccc(CCC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674696456	ACZXADYFBNDCPY-TXEJJXNPSA-N	422.291	5.386	30	20	HKED	
FC(F)(F)COc1ccc(NN=Cc2ccc(OCc3ccncc3)cc2)cc1	727262256	OCMQPKCWNQDBMO-UHFFFAOYSA-N	401.388	5.048	30	20	HKED	
C(=NOCc1csc(C2CCCCC2)n1)c1cccc(OCc2ccncc2)c1	727435160	QLLBXCGUPMRSOL-UHFFFAOYSA-N	407.539	5.716	30	20	HKED	
Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1	728440567	YQSPXFZPINEHQL-VOTSOKGWSA-N	408.266	5.260	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2o1	730690892	ZOJTXHNISDINJG-AOMKIAJQSA-N	420.827	5.617	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	732496993	JOMVPOPDEMHFRL-UYAOXDASSA-N	408.548	5.566	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2ccc(F)cc2)ccc1OC	733230635	PJQNOIZXWCWBIO-GOSISDBHSA-N	424.497	5.174	30	20	HKED	
CCCOc1ccc(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)cc1Cl	733844207	SOIGJJVGVJJVRW-KRWDZBQOSA-N	401.894	5.131	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccncc1	734660059	KMJXWDBCSKVQTH-VXKWHMMOSA-N	409.892	5.580	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1ncnc2sc3c(c12)CCCC3	735230705	HFSBJDJRRSENCQ-UHFFFAOYSA-N	401.944	5.418	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(OC4CCCCC4)CC3)c2)s1	740059094	FYZSHZWPEYYMKF-UHFFFAOYSA-N	423.582	5.310	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4ccc(Cl)cc34)n2)cc1	740542792	XCYKQMXPUVKPBG-SFHVURJKSA-N	416.893	5.235	30	20	HKED	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1cccc(-c2ccncc2)c1	741469060	JOVOGOYDWCWRQV-VAWYXSNFSA-N	423.472	5.007	30	20	HKED	
CCc1ccc([C@@H](COC)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	743093357	SIOGJUNBWPNGQJ-FCHUYYIVSA-N	403.482	5.007	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	743125055	ZHQZGKFNQLAMMC-HNNXBMFYSA-N	424.501	5.187	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2CCc2ccccc2)c(Cl)c([N+](=O)[O-])c1	746482334	RKVNRZRDUFUVNX-UHFFFAOYSA-N	405.841	5.157	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)s2)cc1OCCCC#N	747361356	LFBIMRLTUFBABU-PKNBQFBNSA-N	403.503	6.002	30	20	HKED	
CSc1ccc2c(c1)CC/C(=C\c1cc3ccccc3nc1N1CCOCC1)C2=O	748147492	OUVZARGXCOYKPY-XDJHFCHBSA-N	416.546	5.006	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2ccc(Sc3ccccc3C#N)cc2)no1	748524537	LJLZJWUAJWWUPP-UHFFFAOYSA-N	412.474	5.320	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(C)c(C)c1	749102756	QGFHCUDQVBNEAL-UHFFFAOYSA-N	407.352	5.590	30	20	HKED	
C[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F	754110357	VRPYXCTWKPDUCE-VFNWGFHPSA-N	403.413	5.132	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C/SCc3ccco3)cc2F)c1	754236562	PCIUJMNTLIHOCW-CSKARUKUSA-N	408.454	5.255	30	20	HKED	
C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1	754899213	GTFGWVNMAXCJAY-HNNXBMFYSA-N	404.853	5.063	30	20	HKED	
C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1-c1ccc(Cl)cc1	760391022	SECWTGGWKIOBGZ-QGZVFWFLSA-N	404.897	5.329	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1cc(Br)ncc1F	762423057	DDXOEMZYBXLHEO-BQYQJAHWSA-N	420.669	5.027	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN2CCC(OC3CCCCC3)CC2)c1=S	764946203	KHSKTTQYTUJQLX-UHFFFAOYSA-N	418.632	5.100	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1	767847233	MPZZLYYURYDJDP-SANMLTNESA-N	418.500	5.535	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)c1csc(COc2ccc(F)cc2)n1	767987616	LAZWCFZAOUBJIX-UHFFFAOYSA-N	410.470	5.019	30	20	HKED	
N#CCCn1cc(CNc2ccc(OC(F)F)c(Cl)c2)c(-c2ccccc2)n1	770480151	FXEKUEXUQQGSFR-UHFFFAOYSA-N	402.832	5.331	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)c1ccccc1	772033643	QWHCWIXPPQPVRA-GHTZIAJQSA-N	415.578	5.029	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780578664	JVRJYGRDROAIAD-GOSISDBHSA-N	401.466	5.509	30	20	HKED	
COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	788080277	BPKCFDJMTCNFTD-WBMJQRKESA-N	412.898	5.044	30	20	HKED	
C#CCC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)CCCCC1	788505684	LRJOPPVPYWFUGG-GOSISDBHSA-N	411.933	5.070	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)cnc3Cl)c2)s1	790920580	ADXKBEXZMYUKFO-UHFFFAOYSA-N	421.831	5.284	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	796627571	BYCNCKYSLJBFEQ-LJQANCHMSA-N	401.466	5.380	30	20	HKED	
C=CC[C@@H](OC(=O)c1csc(-c2cnccn2)n1)c1ccc(Cl)c(Cl)c1	797554541	VFTYLLIAAUDGEQ-MRXNPFEDSA-N	406.294	5.381	30	20	HKED	
C=CC[C@H](OC(=O)Cc1cc2ccccc2nc1O)c1ccc(Cl)c(Cl)c1	797566722	RZAZZZPZTNXHLQ-IBGZPJMESA-N	402.277	5.650	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1)c1ccccc1	799379064	AWMLZSZSFODMTO-PZJWPPBQSA-N	415.578	5.030	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc(C)c(C)o2)cs1)c1ccc(F)cc1F	799896445	IFBNIZSFHRFPLO-ALCCZGGFSA-N	402.422	5.212	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccnc1SC(F)(F)F	800127601	VJJZZQPPYZXCQF-UHFFFAOYSA-N	414.302	5.026	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c(F)cccc2Cl)cs1	809158937	FTQXLXXJMMILSF-FLIBITNWSA-N	414.889	5.825	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)cc1	809872707	LOYPJJOFDYLCIE-SQHAQQRYSA-N	423.516	5.344	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)cc1	809872916	RLBDTRHZHAQHFE-DQEYMECFSA-N	422.532	5.011	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H](C)c1ccc(F)c(Br)c1	813153798	WFRVXEDTOAIKLZ-STQMWFEESA-N	405.267	5.011	30	20	HKED	
Cc1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917045598	YNBAHNRORSGNPF-AWEZNQCLSA-N	404.413	5.187	30	20	HKED	
COc1ccc2c(c1)CCCC2=NOCC(=O)Nc1ccccc1-c1ccccc1	918185252	AJOSGTJDOKFGIB-UHFFFAOYSA-N	400.478	5.058	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccs1)c1ccc(C)cc1	918587868	KMGCMFFLBZKPJM-UHFFFAOYSA-N	420.534	5.329	30	20	HKED	
CCCN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)[C@H](C)c1cc2ccccc2o1	919723645	GKVIOWDCBTVQRO-XLIONFOSSA-N	424.504	5.443	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1	1832478985	XNMAHUFPDUFERU-JOCHJYFZSA-N	414.634	5.179	30	20	HKED	
C=CCN(C(=O)COc1ccc(C(=O)CC)cc1)c1nc(-c2ccccc2)cs1	7724805	KFNOUKPUSOLGSW-UHFFFAOYSA-N	406.507	5.001	30	20	HKED	
Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccccc1	22728211	OQAGTFJMZVUBAV-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2cccc(C)c2C)cc1	22729291	KQSZPVSEHDISJO-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2o1	41545266	DMGWDHBBIOAMTF-MRXNPFEDSA-N	410.458	5.232	30	20	HKED	
CCN(Cc1ccncc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	47565546	OMNAHUBZUYFABP-NRFANRHFSA-N	404.901	5.444	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1	48160208	XAFFNJKOWQIJCY-ZDUSSCGKSA-N	406.313	5.134	30	20	HKED	
Cc1ccc(-c2cc(/C(O)=N/c3nnc(SCc4cccs4)s3)on2)cc1	50004641	NSSUFNCJHFILOG-UHFFFAOYSA-N	414.537	5.492	30	20	HKED	
O/C(=N\c1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Cl)cc1Cl	63497445	KISOHFYLYZMLSF-UHFFFAOYSA-N	412.074	5.177	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1Cl	105739511	CUNKJAOSIXCJAM-UHFFFAOYSA-N	417.827	5.925	30	20	HKED	
CCOC(=O)c1c(CN(CC)C[C@@H](C)C#N)nc2ccccc2c1-c1ccccc1	108975758	KNUDWXOYIBSKAP-SFHVURJKSA-N	401.510	5.060	30	20	HKED	
COc1ccc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)c3ccccc3n2)cc1OC	109080844	HLUJFQBAPLUKDM-UHFFFAOYSA-N	423.472	5.067	30	20	HKED	
C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1F	195569088	JIBYYXLQGGHMIV-UHFFFAOYSA-N	406.486	5.035	30	20	HKED	
CCOc1ccc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1OC	237110172	QETIDFCJKXBFQY-LJQANCHMSA-N	416.521	5.395	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1	303416017	WLTNEOKWDRHSHK-KBPBESRZSA-N	407.461	5.840	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	410212532	BHAUBNYBNQXHAW-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3ccccc3)c(C)n2)c1C#N	426743802	PBOAXKUUNMJAIA-UHFFFAOYSA-N	400.507	5.175	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)N[C@H](CCCC#N)c1ccccc1	431808464	BTVCQNFOLZLQOG-PXDATVDWSA-N	418.585	5.295	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	433224312	YQGNHVMIDWQQRC-SCZZXKLOSA-N	420.300	5.502	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1	433345099	VQOXACSOKZCBSN-FQEVSTJZSA-N	411.461	5.070	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	434006786	DFJFNBYXFHDXNV-UHFFFAOYSA-N	413.458	5.129	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cn(CCC#N)nc1-c1ccncc1	435127192	VGTGUNRADIMWOY-HNNXBMFYSA-N	414.340	5.359	30	20	HKED	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	435607385	OUKWCNWILBWUAC-JOCHJYFZSA-N	415.493	5.156	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1	436348995	BKDSEAUHCIMIFJ-PZJWPPBQSA-N	421.953	5.304	30	20	HKED	
CC(C)[C@@H](c1ccccc1Cl)N(C)CC(=O)Nc1ccccc1SCC#N	436413304	OVXRSSBNMGQTFB-NRFANRHFSA-N	401.963	5.223	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	437386157	ASKKEDWXXOXQBE-OAHLLOKOSA-N	417.368	5.227	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)cc1	438031415	GDPBEXNGZZHIOP-LOSJGSFVSA-N	422.488	5.654	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c2ccccc21	444368348	LYELQDRRLWMGST-LJQANCHMSA-N	421.369	5.257	30	20	HKED	
CC(C)[C@@H](NC(=O)CS[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2	447053248	AELOPMZWPRLMBS-BXKMTCNYSA-N	424.566	5.027	30	20	HKED	
CC[C@H](N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1)c1ccc(C#N)cc1	447537666	XPHKRBITPBBKSI-ZEQRLZLVSA-N	400.522	5.600	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC=C(C(F)(F)F)CC1	460958511	KZAMTPJANANGCU-UHFFFAOYSA-N	408.493	5.154	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464407684	PTPHQGWMKMIMSV-FQEVSTJZSA-N	421.378	5.041	30	20	HKED	
CC#CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	464568517	KXWAZDRPIHLPBN-UHFFFAOYSA-N	406.379	5.229	30	20	HKED	
COc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1	467092383	NANDYEWHAOOAFV-OAQYLSRUSA-N	411.486	5.371	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	468410121	WVGPZBRBZZUQNQ-OAHLLOKOSA-N	409.301	5.188	30	20	HKED	
O=C(c1csc(-c2c(F)cccc2F)n1)N(CCC(F)(F)F)CC(F)(F)F	468548522	PPYUKYLSKNXROL-UHFFFAOYSA-N	418.309	5.045	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)OC)(c2ccccc2)CC1	475542551	ASMCRUFPAXKJHI-UHFFFAOYSA-N	420.553	5.277	30	20	HKED	
C=CCn1c(SCCCCC(C)=O)nc2scc(-c3cccs3)c2c1=O	475740834	DBBAFISUHNMBLS-UHFFFAOYSA-N	404.582	5.224	30	20	HKED	
COCC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(C)o1	477533460	QSTJSOQTNIZLFR-NRFANRHFSA-N	405.454	5.151	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(OCc4ccccc4)cc3)no2)cc1	481934446	RZIQMMNVOHEXDF-QFIPXVFZSA-N	406.445	5.037	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)cc1	483435684	HKFUCDIZNPLJAT-RPWUZVMVSA-N	416.452	5.140	30	20	HKED	
Cc1ccccc1CN(Cc1ccccn1)C(=O)CCCCOc1cccc(C#N)c1	486195634	LZYRGMYNHKZEKV-UHFFFAOYSA-N	413.521	5.040	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccccc1C(C)(C)C#N	488032968	PJUMEYKMAXEUIZ-UHFFFAOYSA-N	422.529	5.276	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(C)cc1	489656561	GMAKZTNGGDIWQR-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)N(CCC#N)Cc2ccco2)cc1	495136798	KATCUXWLMNLRSS-UHFFFAOYSA-N	405.454	5.418	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1ccc(Cl)cc1	497674307	QMYOUFRQPRSWEI-CQSZACIVSA-N	403.910	5.689	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	499831527	GNNJRMIDWXSISM-OAHLLOKOSA-N	402.306	5.420	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)c12	499831863	HPVFSEJPASNPBK-QGZVFWFLSA-N	420.856	5.254	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)[C@H](C)c1ccc(C#N)cc1	501895215	YUJLWCNSOOIHBP-QGZVFWFLSA-N	419.550	5.692	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NC2CCOCC2)cc1	503226243	PWZOBEQBJCGEPR-MRXNPFEDSA-N	410.543	5.173	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	503226691	STNRPJIMLZLVKN-APWZRJJASA-N	411.527	5.140	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](c4ccccc4F)C3)cc2)cc1	504059622	RXLKUFNEXVTJIR-SFHVURJKSA-N	401.441	5.511	30	20	HKED	
COc1cccc(/C=C(/CC(=O)NCCCCC#N)c2nc3ccccc3s2)c1	505054430	LKHKWULXIRLVTK-JXAWBTAJSA-N	405.523	5.046	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1	505229957	LXJZXZRCSFCHQC-IBGZPJMESA-N	423.557	5.284	30	20	HKED	
COc1ccc([C@H]2C[C@H](NC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1F	505299857	ZPHMHZLPEVNREM-XIRDDKMYSA-N	413.518	5.154	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F)c1c(Cl)cccc1Cl	505505115	DIAAKNZGYWLSLV-JMSVASOKSA-N	411.235	5.079	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCO[C@H]1CCCc2ccccc21	506863285	KNJZDTYQALUODO-AVRDEDQJSA-N	423.582	5.687	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(NC(=O)NC2CC2)cc1	507642096	ARGCMVWKGLRAJT-KETPHWKMSA-N	402.542	5.025	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1cccn1C	510857068	NJPWPHCJFAUMLK-QHCPKHFHSA-N	400.482	5.367	30	20	HKED	
Cc1ccc(OCCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	510859793	NEXYKGHEZQDPJF-UHFFFAOYSA-N	415.493	5.510	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)cc1	512952963	OZNPSEDZXAUSEU-OAQYLSRUSA-N	422.469	5.359	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cnccc2Oc2ccccc2)c1	513228486	XOKYKCISMHBYFE-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CN(Cc1c(Cl)cccc1Cl)C(=O)c1ccc(COc2ccccc2C#N)o1	515553129	RKGGVUAUANQKDI-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1)c1ccccc1	517050102	GEEYMWYMLWSXTG-OAQYLSRUSA-N	424.591	5.162	30	20	HKED	
CCCc1nc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)cs1	518133120	BSOUWJGAFVZTSG-CQSZACIVSA-N	405.614	5.219	30	20	HKED	
Cc1nc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)ccc1C#N	518928001	QWKBYFMRMDBRFK-UHFFFAOYSA-N	416.531	5.341	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(F)cccc1Cl	519432797	ABRVHVNMVUEHIM-UHFFFAOYSA-N	416.827	5.685	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1c(Cl)cccc1Cl	519450219	WPPSAMOLHIXDGB-CYBMUJFWSA-N	408.354	5.609	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1	520827583	OHYAMRMDQLWCBU-UONOGXRCSA-N	419.344	5.107	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(c1ccccc1)c1ccccc1	520827687	WJNKOIUXEGSCTB-LJQANCHMSA-N	416.546	5.683	30	20	HKED	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	521208360	PKIRBVKTCQHHSZ-UHFFFAOYSA-N	406.530	5.151	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	521952076	BCTIWBOMRRUDCY-HSZRJFAPSA-N	413.477	5.122	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N1CCc2sccc2[C@H]1c1cccs1	522287937	NNYJLKPPTBYYNA-NRFANRHFSA-N	410.564	5.232	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C2CC2)o1	524437043	VRHNLHOVGIZSMF-LRDDRELGSA-N	401.413	5.073	30	20	HKED	
Cc1ccccc1[C@@H](CO)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	530837877	DUTWUCCJCDHXLO-JTHBVZDNSA-N	419.912	5.159	30	20	HKED	
C[C@H](NCc1cnn(CC(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	531733653	GCFJNVFEOMJUAS-VIFPVBQESA-N	419.291	5.334	30	20	HKED	
COc1cc(CN2CCC(OC3CCCC3)CC2)ccc1OCc1cccc(C#N)c1	533264947	QHQDDWKGJJXXJH-UHFFFAOYSA-N	420.553	5.069	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(OCCCC#N)c1	537425998	OQNHGZUFZSSHQB-OAHLLOKOSA-N	405.420	5.217	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ncccc1C(F)(F)F	538841616	MUNJQDANWARCDT-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)c2)cc1	540128205	KZSQFGMJWKLXPR-YKSBVNFPSA-N	413.477	5.250	30	20	HKED	
COc1cc(CN(C)C(=O)c2ccccc2Oc2ccccc2C#N)ccc1SC	540855500	SXVYCDBJSUPKRA-UHFFFAOYSA-N	418.518	5.353	30	20	HKED	
CC(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	543872588	DCVSEBYWGBLDMF-IBGZPJMESA-N	418.562	5.258	30	20	HKED	
Cc1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)c(Sc2ccccc2)c1	544085650	XAPHCAGVNSJUDY-UHFFFAOYSA-N	411.577	5.779	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccc(C)c2n1	545473713	RXZRGAXJRMMQHD-QGZVFWFLSA-N	405.523	5.263	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	552187451	YCFROXZBOAXZJU-HNNXBMFYSA-N	420.740	5.654	30	20	HKED	
COc1ccc(-c2csc(CNCc3ccc(C#N)cc3C(F)(F)F)c2)cc1	554972928	ZZCYAHWJTDPBDY-UHFFFAOYSA-N	402.441	5.604	30	20	HKED	
N#CCc1cccc(-c2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)c1	558563665	RIQLANSLJVFZKM-UHFFFAOYSA-N	417.472	5.381	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)CCCC2=O	559652064	VMJUFJLYCLWSJA-UHFFFAOYSA-N	418.440	5.482	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	567315167	FGHVFFDAXCBJGS-GOTSBHOMSA-N	417.509	5.224	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC4(CCCC4)CC3)c2)cc1	572564850	ZDFWXJIVTZCBKX-UHFFFAOYSA-N	403.526	5.520	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc3c2OCCO3)c1	578395754	PMCQVXBQWFEXLD-UHFFFAOYSA-N	406.825	5.027	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc(C3CC3)nc21	592974674	WURLKPCNQMTMDK-OAHLLOKOSA-N	419.485	5.128	30	20	HKED	
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	604112849	LMJSWSPJUYBCAR-IFMALSPDSA-N	423.944	5.115	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	604270916	ZQDVGPXUXJRCLW-IUCAKERBSA-N	410.236	5.181	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c2)c1	604690967	SWBVBZCRECYGBZ-HSZRJFAPSA-N	403.441	5.176	30	20	HKED	
C=CCCCN(C)C(=O)c1cccnc1SCc1cccc(Br)c1	605645227	GQFABWNNAXAUOI-UHFFFAOYSA-N	405.361	5.175	30	20	HKED	
C[C@H](CCc1ccc(Br)cc1)NCc1cccc(OCCCC#N)c1	608861091	PBSJFNDOEYEXPQ-QGZVFWFLSA-N	401.348	5.243	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccc(F)cc2s1	609378302	BTRXKDCXZGIDTA-UHFFFAOYSA-N	424.444	6.317	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(OC2CCCCC2)c1	609435187	XDWJCAOUUARAPI-KRWDZBQOSA-N	424.570	5.509	30	20	HKED	
Cc1cc(F)cc2[nH]c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc12	609729982	GAFBGTXETOLAJD-UHFFFAOYSA-N	413.452	5.513	30	20	HKED	
N#CCCn1cc(CN2CCC(c3ccc(F)c(F)c3)CC2)c(-c2ccccc2)n1	611268889	WGGYRRKQWFZNCQ-UHFFFAOYSA-N	406.480	5.122	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1	611548479	YKDBTXBJUNIVHX-MAUKXSAKSA-N	402.416	5.462	30	20	HKED	
N#CCn1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc2ccccc21	614582994	RZRNTBZYXVYTKH-SFHVURJKSA-N	423.900	5.018	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1	639484828	WNOTVGCDAJIQQL-UHFFFAOYSA-N	404.491	5.604	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4s3)s2)cc1	642280913	INBKEBVFMBZSCP-HNNXBMFYSA-N	405.504	5.227	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1	678603748	GLYMEGPQTATDLU-QRWLVFNGSA-N	401.436	5.039	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	730686942	QHKHFFGAJDVSQS-XHSDSOJGSA-N	407.684	5.098	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1	730990059	RJGWLXIAMAGPTL-HUCUOGIVSA-N	422.550	6.318	30	20	HKED	
CCc1cccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c12	731768054	YXWYHSACXWJVLU-LJQANCHMSA-N	419.937	5.926	30	20	HKED	
CSc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	733080644	ULCBRKMYCRNXCL-UHFFFAOYSA-N	403.433	5.115	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2ccc3ccccc3c2)c1	733852204	TWHXOJKUUOGEQJ-QHCPKHFHSA-N	401.510	5.252	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc2ccccc2s1	734205031	AXZGUKOZBKHNLJ-OXJNMPFZSA-N	412.518	5.834	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1)c1ccncc1	734360053	FXQWEERSEQMINH-LJQANCHMSA-N	402.922	5.216	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	738896309	NTWXSXFPPGRKAL-ZJSXRUAMSA-N	411.505	5.372	30	20	HKED	
C[C@H](Nc1ccc(N(C)Cc2ccccc2)cc1)C(=O)N(CCC#N)c1ccccc1	743472588	PVGWBUXCULZGFE-NRFANRHFSA-N	412.537	5.070	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1cccc(-c2csc(C)n2)c1	744351099	KIDSBNJEIZBKBG-UHFFFAOYSA-N	409.536	5.004	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2ccncc2)cc1	745990183	MTZGQPFQXRIGFR-CMDGGOBGSA-N	413.458	5.676	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12	752037371	FDMCQEVZHXOGJY-ZJSXRUAMSA-N	407.473	5.407	30	20	HKED	
N#C[C@@H]1C(CN2CCCCC[C@@H]2/C=C\c2ccccc2)=CC(=O)n2c1nc1ccccc12	753859913	BBSVITVNDCWHAE-QSPBOGQGSA-N	422.532	5.182	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCCSc3nccs3)cc2)cc1	753942614	AOMKFFRYZYISDX-UHFFFAOYSA-N	410.524	5.111	30	20	HKED	
C#CC[C@H](NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)c1ccccc1	757776373	BXYUDVZEZBLSIE-QFIPXVFZSA-N	412.493	5.525	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(Sc4ccccc4)c3)CCO2)c1	761845594	LTZFGABCNYMIEV-HSZRJFAPSA-N	415.518	5.315	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cs1	763290655	RSYLXLVJQUQCEI-GFIJVFARSA-N	418.493	5.667	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)n1	764782718	IHXBJIFGWHJAKW-KUHUBIRLSA-N	419.953	5.462	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)c1	767345563	LFZVWOZDBUJHRE-UHFFFAOYSA-N	418.371	5.011	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc3ccccc3c2OC(F)F)c1	772986880	ZZQMIXCOUCQJJA-VQIMIIECSA-N	410.464	5.973	30	20	HKED	
N#Cc1cc(N[C@@H]2CC3(CCCCC3)Oc3ccccc32)ccc1N1CCC(O)CC1	777118277	TXWVWZGIKITPHC-HSZRJFAPSA-N	417.553	5.158	30	20	HKED	
CCOc1ccc(C=NOCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1	778018323	ABJISEPHENKJDE-UHFFFAOYSA-N	402.450	5.453	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	780159003	MPPISOPWZSARHS-QGZVFWFLSA-N	409.445	5.552	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1	780459391	QZIKPKTVUXRRJJ-AWEZNQCLSA-N	418.419	5.240	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1	780666606	AGFZSIZEBFHFHN-KSFYIVLOSA-N	420.900	5.279	30	20	HKED	
O=C(/C=C/c1cc(Br)c(Cl)s1)c1cccc(N2CCOC2=O)c1	790218894	XOESPHUCDKDURV-SNAWJCMRSA-N	412.692	5.017	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C(C)C	792230756	ZLQXWUKXYURDKG-JOCHJYFZSA-N	415.541	6.106	30	20	HKED	
Cc1csc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1Br	792600276	SKWGTTJAJRBYLC-UHFFFAOYSA-N	417.353	5.349	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2cnc(-c3ccccc3OC)nc2)cc1	792885043	NJUAAXQHKZTFIZ-WJDWOHSUSA-N	422.484	5.724	30	20	HKED	
FC(F)(F)CCCCNC(=S)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	794974699	RFQQPNINYXEBAN-MYJAWHEDSA-N	418.369	5.093	30	20	HKED	
C#C[C@H](CCC)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	806210877	KYXGKZZFGURHII-OAHLLOKOSA-N	421.394	5.020	30	20	HKED	
CC(C)(O)c1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	806212700	YCWNDJYEERQRMM-NRFANRHFSA-N	419.912	5.867	30	20	HKED	
O=C(Nc1c(F)cc(Br)cc1F)c1cc(F)c(C(F)(F)F)cc1F	808454431	JDSGKXPAFAJGEN-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)c1nc2ccccc2cc1Br	808704825	XQMUPHIMNPPHKQ-UHFFFAOYSA-N	409.283	5.155	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nc(Cl)c(C#N)s1	813369142	GNGWPLWTXHXCSJ-UHFFFAOYSA-N	413.673	5.191	30	20	HKED	
C(=NNc1nc(-c2ccccc2)cs1)c1cn(-c2ccccc2)nc1-c1cccnc1	916545444	JGGLAKJYLVTTPY-UHFFFAOYSA-N	422.517	5.504	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2F)o1	916903222	LTPMTRZZQYGSJJ-SFHVURJKSA-N	404.441	5.172	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1	916914631	PLAMQQRDXOYVIS-HXUWFJFHSA-N	404.441	5.389	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	917751310	ZUXJOPTUWZRWNS-DZGCQCFKSA-N	421.349	5.250	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1coc(-c2ccc(Cl)cc2)n1	918776158	VVQDDSJRAGNMLK-HXUWFJFHSA-N	410.857	5.013	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C	920141752	QECNAIGGPPORJF-FQEVSTJZSA-N	417.559	5.657	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC)cc2)n[nH]1	1820606373	INKIDJHXNCOFDI-UNMCSNQZSA-N	420.557	5.046	30	20	HKED	
C=CCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2c(s1)CCCC2	23299429	KGRCXKAALSFOHU-UHFFFAOYSA-N	423.563	5.169	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)cc1	23604138	QCDCONZTKKLGFI-UHFFFAOYSA-O	420.602	5.576	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1	29756764	FAZHZONRUPXMNE-QGZVFWFLSA-N	402.450	5.155	30	20	HKED	
Cc1ccsc1CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47570353	MSQRRTTYUJCXMM-UHFFFAOYSA-N	405.523	5.366	30	20	HKED	
C[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1ccc(NC(=O)Nc2ccccc2)cc1	108607546	FPJAZUUVSRSXEK-IYICPGQYSA-N	410.477	5.093	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@H]2CNCc2cn(CCC#N)nc2-c2ccccc2)cc1	237669093	BEGOJUQOWGXVND-JYFHCDHNSA-N	414.553	5.030	30	20	HKED	
N#Cc1nc(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)ccc1Cl	301497303	BQLJFJXNAGXIJQ-UHFFFAOYSA-N	421.888	5.204	30	20	HKED	
Fc1ccc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1C(F)(F)F	302617593	CSRRUXANGTUHKB-UHFFFAOYSA-N	403.257	5.508	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCOc1ccc(F)cc1	303215861	SQBUZQRPZNKZOG-UHFFFAOYSA-N	418.468	5.383	30	20	HKED	
Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2C)cc1	303334496	UWEFAFWFURUFGX-UHFFFAOYSA-N	414.553	5.229	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(-c2ccncc2)noc1C	429052783	BRCRWWHGABBVJF-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
COCCOc1c(Cl)cccc1NC(=O)c1sc2ccc(C#N)cc2c1C	429892556	WBNWZLVFXIWBGU-UHFFFAOYSA-N	400.887	5.012	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	433148378	AMFIDGHXMMYQFJ-ONOMSOESSA-N	411.571	5.290	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1	433261471	WIOLCENVVGMVCX-LJQANCHMSA-N	417.431	5.270	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl)c1ccccc1	435602474	DDTOHWXLIBLRQT-FQEVSTJZSA-N	413.949	5.649	30	20	HKED	
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[S@@](=O)CCCCC(C)(C)C#N	436097255	ICTABTJFTQLRHA-QYSRSOONSA-N	413.465	5.285	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC(F)(F)C1	436383849	CWTUFNPGDDJCLM-OLZOCXBDSA-N	418.328	5.576	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)no1	442606564	PDBGDBGWKZCQBV-INIZCTEOSA-N	416.506	5.425	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)n1	442812358	FAYZEGHYFJGTOO-INIZCTEOSA-N	422.506	5.367	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	444038130	WGGMXJGQIYUCHN-CQSZACIVSA-N	407.358	5.034	30	20	HKED	
Cc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	444845918	IBMSFXUSWLRGHZ-QGZVFWFLSA-N	404.539	5.009	30	20	HKED	
Cc1csc(Sc2c(Cl)cccc2NC(=O)c2c(F)cc(C#N)cc2F)n1	446167880	LSIDVFRGKRKTLL-UHFFFAOYSA-N	421.881	5.658	30	20	HKED	
C=CCOc1cccc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1	462732759	DPDYMBHGNHMIME-UHFFFAOYSA-N	414.427	5.747	30	20	HKED	
FC(F)(F)c1cncc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	463159651	ZYVCKEWOJXOPKG-CYBMUJFWSA-N	402.260	5.512	30	20	HKED	
C=CCOCCCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	463464217	JGNLZCZPFQIGDT-UHFFFAOYSA-N	423.944	5.134	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)cn1C(C)C	463576156	NEAYXLGWVMDFDA-UHFFFAOYSA-N	402.336	5.002	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)c(C)c1Cl	464480575	ZAFYQHOYSZINPJ-MRXNPFEDSA-N	418.806	5.046	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1csc(-c2cc(Br)cs2)n1	471168772	LIXJPJCKZRMLST-UHFFFAOYSA-N	412.378	5.179	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1	475575947	TYWZVMGRIYMSSR-UHFFFAOYSA-N	411.590	5.231	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	475604696	WELCEJWAPIHLOY-QZTJIDSGSA-N	416.550	5.883	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1	475650319	MOWSUCOGXRFPIT-AWEZNQCLSA-N	407.514	5.550	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)C(=O)NC1(C#N)CCC1	479498165	QELCWVCUIKTAKW-KBPBESRZSA-N	421.488	5.035	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1	479612252	XFDXYSBQDWJRMY-GOSISDBHSA-N	405.548	5.186	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)s1	480006878	QIAGOVGHWUHKCN-RTWAWAEBSA-N	401.535	5.339	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1	485462897	GKIDWGPBDLELJI-UHFFFAOYSA-N	405.310	5.105	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	486728418	IPEKJEMGQNDHST-MRXNPFEDSA-N	423.513	5.012	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OC)n2)nnc1-c1cccc(Cl)c1	489632227	JIPRKDHAUQXWFD-GFCCVEGCSA-N	406.964	5.241	30	20	HKED	
CCCC[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cc(C)on1	495475913	MEUAISVTSIWTSG-NRFANRHFSA-N	404.470	5.256	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)nc1	498142930	CYZJWINYPXPDKW-UHFFFAOYSA-N	421.334	5.114	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)nn1-c1ccccc1Cl	498342549	DXSVJSTYHXEQIP-UHFFFAOYSA-N	407.905	5.098	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	500452305	RMASMQJCRXQTTG-UYAOXDASSA-N	422.937	5.848	30	20	HKED	
Cc1cc(Sc2ncccn2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1	502496961	KJYPXPDFDSOBFM-UHFFFAOYSA-N	419.510	5.263	30	20	HKED	
CCCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccccc1Br	505311123	OPMXBKMNCTWIQJ-JKSUJKDBSA-N	414.347	5.565	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C	505777562	PPOQKOVGXDGOJY-OAHLLOKOSA-N	416.333	5.980	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1F	505983084	YHWUDJBIOAKUMS-GOSISDBHSA-N	415.346	5.026	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1cccc(C(F)(F)F)c1	505987965	VZQAXBKDHPLPDI-GOSISDBHSA-N	413.424	5.246	30	20	HKED	
C[C@H](Cc1cccc(O)c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	506279169	JFFYXCDFOVBBHA-ZHRRBRCNSA-N	419.912	5.454	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)c1ccccc1C#N	508110940	QMIWTEHJHFIFRA-CQSZACIVSA-N	411.914	5.151	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(Br)s3)cc2)cc1	510789003	XDIYPGRQALIGHR-UHFFFAOYSA-N	413.296	5.356	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1	513118750	OVSWFINMEXZLFI-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)o3)n2)cc1	516270017	KKLCJVIYWPVNJE-GOSISDBHSA-N	413.433	5.571	30	20	HKED	
Cc1sc(-c2ccco2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	516270302	RFCSOPFNMRKUSF-OAHLLOKOSA-N	416.487	5.197	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCOc1ccccc1C(F)(F)F	518018422	FZEHSZHQLJIDRY-UHFFFAOYSA-N	410.395	5.053	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)n1	518148237	PDOBRWYLQBLZKQ-OAHLLOKOSA-N	406.511	5.364	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1	518761507	DNUKZRITGMCUJR-UHFFFAOYSA-N	423.541	5.530	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3ncsc3c2)cc1	519142632	FPGTVSNUDZMSSZ-UHFFFAOYSA-N	401.516	5.713	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccccc1OC(F)F	519449135	WIWWKWCXOQZEPP-UONOGXRCSA-N	405.470	5.422	30	20	HKED	
Cc1ccc([C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)N2CCCC2)cc1	519450844	KXQVBOBMOQWKCD-DENIHFKCSA-N	422.598	5.205	30	20	HKED	
CC(C)c1ccc(CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)cc1	520857944	FWKMIBZZEQSXIE-SFHVURJKSA-N	407.583	6.258	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC	521366476	LWIMNEMMSARXND-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)s1	521656349	CGWWSJGGCJBXOX-HNNXBMFYSA-N	406.511	5.649	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	522311186	VIUGYOPMCSEBSQ-UHFFFAOYSA-N	408.404	5.299	30	20	HKED	
CCN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(C#N)c(Cl)c1	538071637	AUOOYZOMEBBNMP-UHFFFAOYSA-N	404.322	5.460	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCCOc4cc(Cl)ccc43)cc2)nc1	539527596	NQTZCRSFRKYHDF-FQEVSTJZSA-N	419.868	5.043	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	539649247	IZPDBWHRSNWQRZ-OAHLLOKOSA-N	423.416	5.391	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	541066058	ZAAUARYGYLPABB-HNNXBMFYSA-N	416.456	5.205	30	20	HKED	
FC(F)(F)c1cc([C@H](NCc2ccncc2)C(F)(F)F)cc(C(F)(F)F)c1	541194009	MSGDSFOJRZCWEP-ZDUSSCGKSA-N	402.260	5.512	30	20	HKED	
COC(=O)[C@@H](C)Oc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541211968	CTGIXDFRNXQGEG-RBUKOAKNSA-N	414.505	5.016	30	20	HKED	
C=C(C)[C@@H](Cc1nc(-c2cc(Br)cc(C(F)(F)F)c2)no1)OCC	545785796	JOBXRDMZDRPXCA-CYBMUJFWSA-N	405.214	5.042	30	20	HKED	
N#CCCC[C@@H](NCc1ccc(I)cc1Cl)c1ccccc1	552312006	LXVIXZDWIPKXLE-GOSISDBHSA-N	424.713	5.469	30	20	HKED	
N#Cc1ccc([N+](=O)[O-])c(N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1	557670499	CLGSWJSVUCAZMJ-LJQANCHMSA-N	405.376	5.065	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)cc2)cc1	558584308	XZCKBIDFBRQNQL-RCZVLFRGSA-N	412.489	5.053	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](CCCC#N)c1ccccc1	559860824	ZMWXEMXLXZUQHI-UZLBHIALSA-N	414.347	5.191	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1occc1CSc1ccccc1	561231816	IIVMSHBBMJYKKF-UHFFFAOYSA-N	409.555	5.568	30	20	HKED	
Cc1csc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1C#N	576738908	ITUXVGUFEPVHQR-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	579872747	XQZPJZGSHMWYGH-PBVWOCPUSA-N	421.566	5.117	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(C)(C#N)CC1	583448294	UJHVHDIMMGTRMP-IBGZPJMESA-N	415.541	5.277	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	584433431	AZVVOKNHLLIXKX-OAQYLSRUSA-N	420.538	5.229	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	589368589	YQSPRQNASWRWDX-MRXNPFEDSA-N	416.344	5.242	30	20	HKED	
CN(C(=O)CC1(C#N)CC1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1	590295115	DCRPXGLNEBASGO-IBGZPJMESA-N	417.734	5.344	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)sc2c1-c1ccccc1CC2	603992754	XTEMLHUILQMYOY-UONOGXRCSA-N	404.457	5.693	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCSc4ccccc43)cc2)cc1	604461936	WXUNQOMUBGBYJH-OAQYLSRUSA-N	401.491	5.709	30	20	HKED	
C=CCSc1ccccc1NC(=O)Cn1c(-c2ccccc2)c(CC)sc1=O	607761702	CYOAVVNHCMLWOZ-UHFFFAOYSA-N	410.564	5.056	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H](C)NC(=O)C1CCCCC1	608940266	UHVGUCBGONEKAB-SFHVURJKSA-N	419.525	5.073	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3SC3CCCC3)CC2)c1	609205639	MNNKMJKVADPUBP-UHFFFAOYSA-N	421.566	5.668	30	20	HKED	
C[C@@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(C#N)cc1	609261086	LYSMBYQQNZCOPS-QGZVFWFLSA-N	404.897	5.211	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21	609384766	SJKDQUHGZJIRBG-DLBZAZTESA-N	411.596	5.268	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cc1	609416417	UVQSGAKMOURWHG-HXUWFJFHSA-N	422.271	5.652	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1	609435151	SNJAFSRFENQAKT-DLBZAZTESA-N	420.538	5.634	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cc2)nc1	609500055	NCBWQIRPWQNQKD-OAQYLSRUSA-N	403.869	5.376	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](c1ccccc1)C(F)(F)F	609505095	NAWRTJMXHIGNKP-HXUWFJFHSA-N	411.383	5.121	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1OCCc2ccccc21	609641977	PMRZTDDOFNKPLU-RUZDIDTESA-N	414.480	5.243	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1	609722535	KAKYJGWXVBAQRL-UHFFFAOYSA-N	406.825	5.027	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(OC4CCCCC4)CC3)c2)cc1	609987942	SZIJJNJNDRMZLW-UHFFFAOYSA-N	403.526	5.256	30	20	HKED	
C[C@@H](N[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1)c1cccc(C#N)c1	610346091	KHVIQKXWGBDQGC-QZTJIDSGSA-N	414.940	6.021	30	20	HKED	
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2ccccc2Cl)s1	610809998	YSFWKJCHSIYNAJ-INIZCTEOSA-N	422.985	5.655	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C[C@H]4CCOC4)C3)cc2)c1	611357882	AQQZGWOZTURBGR-VQTJNVASSA-N	405.498	5.021	30	20	HKED	
CC(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	618547571	UOKVBBYWDOBJPS-GUTXKFCHSA-N	414.365	5.295	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	620465550	FRMIBNHGLNSLDK-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C	620567939	XDCBEJXQQLVSNO-FQEVSTJZSA-N	420.578	6.381	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1	676727402	SZZRIKAYQANQSU-WOJBJXKFSA-N	420.479	5.301	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(N(C)C(C)=O)cc1)c1ccc(C(F)(F)F)cc1	676751132	XTUQDXUUQQXHON-FQEVSTJZSA-N	419.447	5.517	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1=S	726963645	KTOCPOPRJQYJDG-MRXNPFEDSA-N	411.962	5.163	30	20	HKED	
Cc1c(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727266776	FPACVVJMDRPPRN-CMDGGOBGSA-N	409.423	5.139	30	20	HKED	
Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	728015704	BEECSORULPNHHP-SEYXRHQNSA-N	418.518	5.167	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	728766928	PJLRIJBARMWVEP-RDTXWAMCSA-N	410.926	5.842	30	20	HKED	
Cc1ccc(S[C@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)c2ccccc2)c(C)c1	730071352	KZEPBWHYSFKTEW-CYFREDJKSA-N	412.514	6.155	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccc(Cl)cc2[nH]1	732549179	ZSSLPMITWPLYQX-AWEZNQCLSA-N	416.868	5.371	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)c2)cc1	732944013	ZELFCLTUFBXUDQ-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)OCc2ccc(OCC#N)cc2)n1	733378761	VFWLSZMHEXDIKK-UHFFFAOYSA-N	410.520	5.003	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc3cc(F)ccc3c2Cl)c1	733770347	GQMZWYAELQVCFD-CQSZACIVSA-N	402.878	5.305	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1	733770452	ACXHZKWHCSOACS-ISXGRJCASA-N	420.509	5.425	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2ccccc2Sc2ccccc2C#N)cs1	736738411	FIOQFWGIAXZKMF-OAHLLOKOSA-N	424.547	5.620	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C/C(=O)c3c(Cl)nc4ccccn34)c2)c1	737445683	FJGZCVHFMIVRTG-ZHACJKMWSA-N	413.864	5.334	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1)c1ccncc1	741408559	JOWBQJRMOBJZMC-UWJYYQICSA-N	413.949	5.025	30	20	HKED	
O=C(/C=C/c1ccc(SC(F)(F)F)cc1)c1c(F)cccc1N1CCOCC1	741447435	LBIGEEPOVCSPIW-RMKNXTFCSA-N	411.420	5.170	30	20	HKED	
COc1cccc(COc2cccc(Cl)c2CNCc2cc(C#N)ccc2F)c1	742381794	JWPJIISOYSNRAD-UHFFFAOYSA-N	410.876	5.228	30	20	HKED	
N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1	748798805	BGUAIFBLQPESIB-JOCHJYFZSA-N	411.465	5.202	30	20	HKED	
CO[C@@H](C)c1nc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1	749136477	WCDGLXPQAXAFLC-AWEZNQCLSA-N	413.930	5.567	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	750695067	XESFFNJAYPODIN-BBRMVZONSA-N	412.461	5.467	30	20	HKED	
CC(=O)N(c1nc(/C=C2\C[C@@H](C)c3ccccc3C2=O)cs1)c1ccc(F)cc1F	751536916	UZVHJELFMVZRJJ-QQFZQELXSA-N	424.472	5.879	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)/C=C/c1ccc2ccc(Cl)cc2n1	752039376	QRXBCUJHKJTXMA-KPEHQHOOSA-N	401.897	5.200	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccccc3SC(F)(F)F)n2)c1	752375558	BNXRCMQOSCZUCF-UHFFFAOYSA-N	405.426	5.546	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	753396733	UXINKDLUORSZMS-ACJLOTCBSA-N	411.288	5.598	30	20	HKED	
Cc1ccc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc2n1	759205774	KYKVJVARKIHWRC-OAQYLSRUSA-N	421.456	5.297	30	20	HKED	
COc1cc(F)cc(NN=Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1	759210534	QYWJXZOPBBNHAA-UHFFFAOYSA-N	412.490	5.038	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c(Cl)c1	760718350	SNMNSBRUTXIWRW-HNNXBMFYSA-N	418.107	5.025	30	20	HKED	
C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	762972048	FONJTIURLZUPSC-ABAIWWIYSA-N	421.469	5.177	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CC2	763945980	VXTRVAYTYUALBL-HOCLYGCPSA-N	416.424	5.230	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccnc(Cl)c3F)cc2Cl)c1	764123812	MUDLEPUHNHOKMO-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CNC2(c3nccs3)CCCC2)c1=S	764124195	SIDQHBPIDIYDIX-UHFFFAOYSA-N	411.600	5.049	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](c3ccccc3C)C[C@@H]2C)c1=S	765002402	ODTHSBMADXXHJK-FPOVZHCZSA-N	419.598	5.196	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)nc1	767924506	DLDKNTCQLGWJEB-UHFFFAOYSA-N	410.477	5.693	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2	772230658	NCUBZTYRDMXJIP-OPEMAFOOSA-N	403.526	5.011	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccccc2OCc2ccccc2)c1	772983023	ITGGBBUZGBLXMU-REWPJTCUSA-N	400.522	5.797	30	20	HKED	
C#CCCCCC(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1	773622638	BSFRRRJBXUMNNG-UHFFFAOYSA-N	424.444	5.083	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2nc3ccccc3cc2C)cs1	776786541	XXMGZNPJACSPGA-UHFFFAOYSA-N	419.485	5.269	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)c1cccc(CC#N)c1)CCC2	777777994	GYYTVRPNYDTLBF-UHFFFAOYSA-N	405.498	5.001	30	20	HKED	
C[C@H](OC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1cccc(C#N)c1	779204130	FNQJHIIOPUTYQO-NSHDSACASA-N	415.218	5.033	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	779990924	AYJLLSBRNJPPHT-HNNXBMFYSA-N	407.401	5.429	30	20	HKED	
Cc1ccc(C(C)C)c(OCCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1	780329399	NRDZBCKKHBKRNP-IBGZPJMESA-N	405.523	5.282	30	20	HKED	
N#C[C@H](C(=O)CCSCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	796648485	CAPWODBLLLWASP-OAHLLOKOSA-N	420.481	5.815	30	20	HKED	
Cc1ccnc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc12	796796408	DFJTYUYHIKFGKY-OAQYLSRUSA-N	421.456	5.297	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)C(=O)c1coc2cc(F)ccc12)c1ccc(Cl)cc1Cl	796892181	IXDJGNBLKVWOIG-BONVTDFDSA-N	419.239	5.079	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cccc(C(C)(C)O)c1	806230095	CZKKRPOXLZASSJ-UHFFFAOYSA-N	401.466	5.530	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1nc(C#N)cs1	811690069	TWYSDAIABPVWOU-VOTSOKGWSA-N	416.325	5.105	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1F	821009359	ZQEKFKSXTUMCQL-FLIBITNWSA-N	424.815	5.536	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C)Cc2cccc(Cl)c2Cl)c1=S	915814713	JXXYNGXFODLFEG-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1	919966055	VIJYLIVEOPTING-AOYPEHQESA-N	409.533	5.193	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)ccc4Cl)CCC3)cc2)C1	1785810534	XTVNFZMUXVSZLO-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1	1830784562	NKGJATIHCJUUGB-FQEVSTJZSA-N	423.384	5.111	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1Cl	16095840	DOEDSMLTOMVNAL-KRWDZBQOSA-N	418.852	5.074	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(C(C)(C)C)cc1	22798399	HPTWBBYZWDWJEV-UHFFFAOYSA-O	401.621	5.054	30	20	HKED	
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(C)(C)C#N)cc1	25841506	YNUCHCAPEQHHNS-LBPRGKRZSA-N	421.722	5.310	30	20	HKED	
C=CCN(C(=O)CCn1cc(C)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	58067843	RRRORJQKRQBUAB-UHFFFAOYSA-N	421.353	5.231	30	20	HKED	
CC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	58430362	QGCLTMLPDDKESJ-UHFFFAOYSA-N	401.491	5.229	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1csc(-c2ccc(OCC)c(OC)c2)n1	61001829	WKCRVSUVCOJBMV-UHFFFAOYSA-N	421.566	5.501	30	20	HKED	
Cn1cc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc21	65851556	AXDPZLOUMLDVNK-UHFFFAOYSA-N	409.489	5.005	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1	108356888	YDEVPTGRLFNDDW-UHFFFAOYSA-N	421.522	5.152	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	109910425	PXJPIZCSVZKMAY-OCCSQVGLSA-N	422.260	5.472	30	20	HKED	
C[C@@H](Nc1ccc(C#N)cc1Br)c1ccc(NC(=O)c2ccncc2)cc1	301883805	YIJAHAUIKSQIMX-CQSZACIVSA-N	421.298	5.141	30	20	HKED	
C[C@H](Oc1ccccc1Br)C(=O)Nc1ccccc1SC[C@H](C)C#N	303468634	PZCQGDFJIROTRH-KGLIPLIRSA-N	419.344	5.107	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(Nc2ccccc2)c1	303534803	IGMKSIWEVQYHOP-UHFFFAOYSA-N	401.466	5.108	30	20	HKED	
C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)c1ccc(C#N)cc1	303731034	VHIXMNQSYLDRFY-GFCCVEGCSA-N	409.561	5.448	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)s1	430631850	VRXRTKLQCAPJSA-IBGZPJMESA-N	400.507	5.546	30	20	HKED	
N#CCC1(CNC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1	431181760	SHGKEALZCVUUGR-UHFFFAOYSA-N	405.929	5.086	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(-c3cccnc3)ccc2C)cc1	432794003	SMMWYOSHXLMBST-UHFFFAOYSA-N	401.470	5.009	30	20	HKED	
Cc1sc([C@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1	435249095	KFBHVHVAXXTHGG-AWEZNQCLSA-N	421.953	5.553	30	20	HKED	
N#Cc1csc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1	437383061	JKNQVWXUAJQXSD-UHFFFAOYSA-N	417.540	5.854	30	20	HKED	
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccccc1Oc1ccccc1C#N	437916387	OAPSLXOLUMOURA-UHFFFAOYSA-N	414.465	5.005	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1C(F)(F)F	438634501	QSQALSPYKOXYLL-FQEVSTJZSA-N	412.415	5.817	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1	438838710	DFMSXKBUOVMNTF-OXQOHEQNSA-N	422.529	5.663	30	20	HKED	
CCN(Cc1csc(-c2cccc(C(=O)OC)c2)n1)[C@H](C)c1ccc(C#N)cc1	441223827	CRRSWYUOCZXGSS-MRXNPFEDSA-N	405.523	5.051	30	20	HKED	
C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	444674293	KGIYATWGEBMFFQ-ZDUSSCGKSA-N	409.358	5.032	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)cc1	464939081	ATORNKOBVQDZAY-IFMALSPDSA-N	417.534	5.121	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1	467169901	FFYSZXDPQGGADX-SFHVURJKSA-N	402.267	5.137	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H](Cc3ccccc3)c3ccccc3)ccc21	469332919	XPZWJFJJCIABBA-RUZDIDTESA-N	409.533	5.665	30	20	HKED	
C=CCN(C(=O)Cc1ccon1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	470834253	VXJSTOKDYDPRPS-UHFFFAOYSA-N	401.491	5.227	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	471204526	QOJVOHADJHIWGJ-FOIQADDNSA-N	417.431	5.136	30	20	HKED	
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1	474966362	MZMROSHJRYNONF-HXUWFJFHSA-N	403.526	5.084	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2ccccc2)n1Cc1ccco1	479216003	NIIWVNPBAYNEMG-UHFFFAOYSA-N	406.898	5.404	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	479910449	LMGRPGURLSXTJC-UHFFFAOYSA-N	405.951	5.150	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(F)c(F)c1	479932122	PLTKUCIUEHDNTA-FQEVSTJZSA-N	411.408	5.249	30	20	HKED	
CN(C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)C1CCC(F)(F)CC1	481437067	GSZDXTRZRAAKFZ-CYBMUJFWSA-N	416.337	5.111	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cc2ccccc2o1	482115020	OYGOYEJRIGIBEW-MRXNPFEDSA-N	409.445	5.299	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(COCc2ccccc2)cc1	482420576	YUPABNHMQPHWBZ-UHFFFAOYSA-N	400.478	5.071	30	20	HKED	
N#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1F	483681373	IPKYQWQNUNAUPK-INIZCTEOSA-N	401.201	5.243	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	486425360	AZYPWMYAHZETKM-HSZRJFAPSA-N	414.530	5.538	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F	486528820	HSTCPAYYVHUTHM-ZBFHGGJFSA-N	407.461	5.406	30	20	HKED	
N#CCCCOc1cccc(N[C@H](c2ccc(Br)cc2)c2ccco2)c1	498754941	VOOGTZDDPQUWDG-OAQYLSRUSA-N	411.299	5.926	30	20	HKED	
CC[C@@H]1C[C@@]1(NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C)c1	502561478	CMBVOPRKWKMWLW-GLDPYIMESA-N	407.583	5.243	30	20	HKED	
CCCc1noc2nc(CC)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12	503317414	DDYMZYROSDGVEI-AWEZNQCLSA-N	408.527	5.384	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)CC2)cc1	503613688	VNNIXHWAAITYIQ-UHFFFAOYSA-N	422.488	5.132	30	20	HKED	
Cc1cc(N[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nn1CCC#N	504388410	PWTSXUSGPKOCCV-KRWDZBQOSA-N	418.932	5.330	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1csc(Br)c1)C1CC1)c1ccccc1	506359967	VRIYUFDCAPYCGX-KRWDZBQOSA-N	418.360	5.230	30	20	HKED	
COc1ccccc1CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510024732	WRQCFFRAVZJXEP-NRFANRHFSA-N	419.912	5.368	30	20	HKED	
Cc1nnc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C#N)c1C	511873994	HIZZXOYKOVSWSS-UHFFFAOYSA-N	406.458	5.400	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	512958255	DTYAKLGRSOXFKO-INIZCTEOSA-N	402.504	5.127	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1SCCC#N	517443369	TUNPZPUTAAHKKW-IBGZPJMESA-N	416.546	5.689	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1	518049485	GOLRQSDKIRLSMU-UHFFFAOYSA-N	415.468	5.338	30	20	HKED	
C[C@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc(C#N)cc1	518224925	PDTGSWJAEGYZOI-KRWDZBQOSA-N	417.534	5.072	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)c2)cc1	521493553	AGNUSGWLJJXTFI-UHFFFAOYSA-N	420.472	5.666	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2	521800134	IWBZCTKYGUTOHP-AWEZNQCLSA-N	406.532	5.954	30	20	HKED	
C=CCN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1	521808067	BLQOWLZJIDBRBD-LJQANCHMSA-N	424.508	5.110	30	20	HKED	
CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	522795652	XGRTWCALRYLIOT-UHFFFAOYSA-N	410.857	5.423	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCCCC(=O)c3ccccc3)cc2)c1	524440214	AFYAJTDCNCKPSC-UHFFFAOYSA-N	412.489	5.519	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)CC2)cc1	527327880	OTVLSYCOFAKEMI-UHFFFAOYSA-N	401.447	5.205	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3csc(-c4ccco4)n3)c2)c1	532171072	AFYRQJCSOQHAPW-UHFFFAOYSA-N	401.491	5.144	30	20	HKED	
COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1	533041730	LNGDZUAJOONVMH-HNNXBMFYSA-N	422.710	5.278	30	20	HKED	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN(CC#N)C2CCCC2)cs1	533762802	ZVZKDGBNTZWTOJ-UHFFFAOYSA-N	422.476	5.115	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](c1cccnc1)C1CC1)c1ccc(C(F)(F)F)cc1	534702305	PBPOKOAKPGZMNW-WOJBJXKFSA-N	403.448	5.558	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(C2CC2)n1	536196675	GYUJERNSSQXGHL-ZDUSSCGKSA-N	403.598	5.287	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1	540871171	NXYBONOEFSRTPY-UHFFFAOYSA-N	416.452	5.173	30	20	HKED	
CCCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(F)cc1	542971537	QCDOUNMIDXNLJP-INIZCTEOSA-N	422.529	5.468	30	20	HKED	
Cc1ccc(-n2c(SCc3ccc(CC#N)cc3)nnc2-c2ccncc2)cc1C	544051029	RLKSZKZCFNCURR-UHFFFAOYSA-N	411.534	5.305	30	20	HKED	
N#CCCn1ccc(NC(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)n1	544251471	WGLFNGSGMIIFRS-LJQANCHMSA-N	414.296	5.015	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc2ccccc2n1C1CC1	545374432	WCPGEMGCINNKAR-UHFFFAOYSA-N	424.529	5.324	30	20	HKED	
Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)C	549428360	CVCOVBDPHPNYGD-UHFFFAOYSA-N	420.586	5.163	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](c3nc(-c4c(Cl)cccc4Cl)no3)C2)c(F)c1	553185759	APJHNDPGCDTMRK-GFCCVEGCSA-N	403.244	5.048	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1cc(C(F)(F)F)ccc1Br	556930074	JMAIZVUAEVBLKV-UHFFFAOYSA-N	412.209	5.024	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	561709806	LIFKVFVIXKAPPQ-UHFFFAOYSA-N	420.944	5.181	30	20	HKED	
CC1(C(=O)Nc2cccc(-c3ncco3)c2)CCN(c2ccc(Cl)cc2C#N)CC1	566847764	VURGCSKZMWAITH-UHFFFAOYSA-N	420.900	5.112	30	20	HKED	
O=C(NCC1(C(F)(F)F)CC1)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1	571114824	WDTRYLOFLUBHMQ-UHFFFAOYSA-N	424.263	5.111	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)cc1	577103110	XCROBNREWHNOLA-GOSISDBHSA-N	413.399	5.226	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(SCc2ccc(Br)cc2C#N)o1	588103631	VBZULXQDVUQIGO-QGZVFWFLSA-N	414.328	5.538	30	20	HKED	
C[C@H](NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1cccc(C#N)c1	588374443	KYPLFAQLBFKONN-AWEZNQCLSA-N	422.941	5.164	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])c(C)s1	603533159	QYBTUFMXEIBKPM-UHFFFAOYSA-N	409.442	5.131	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1OC(F)F	603691560	IRECJJFBOHKQQC-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@@H](c2ccccc2F)C1	608962610	IMVFIHFJSYJSLP-OAQYLSRUSA-N	418.493	5.062	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccccn3)cc2F)c1	609123704	GHLNXESIQMHGHM-JOCHJYFZSA-N	416.456	5.040	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	609297359	LKEAUDWEZAYEDB-UHFFFAOYSA-N	413.308	5.102	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	609716690	MSZIJJXHBQLWLC-SSEXGKCCSA-N	418.562	5.356	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)cc1	610117305	OFLRRGIAHOPMSE-UHFFFAOYSA-N	418.362	5.413	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(F)c1	610219081	SOQFSZWYJQBGJM-QFIPXVFZSA-N	410.901	5.349	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cccc(F)c3o2)cc1	610224870	CFOKRYUYPAPCFT-UHFFFAOYSA-N	400.409	5.469	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccc(C#N)c1	610317837	JUZUXAZWYSVVLJ-INIZCTEOSA-N	412.518	5.641	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1cccc(C#N)c1	610318889	QZVBNUIPXWWQDY-OAHLLOKOSA-N	405.477	5.063	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1	610323299	GVFMBNFSIULXMK-MRXNPFEDSA-N	412.449	5.114	30	20	HKED	
O=C(c1cc(F)c(Cl)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618300840	GKEBZSOIDPYMKW-KNVOCYPGSA-N	412.132	5.335	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2c(F)cccc2Sc2ccccc2)CC1	619713799	VUKBEANDNDOWQJ-UHFFFAOYSA-N	417.509	5.069	30	20	HKED	
Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	674553762	PVSIYULROHPVDA-PHIMTYICSA-N	408.264	5.218	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc2ccccc2n1	677793291	QOTZLTVTQAOUFO-HNNXBMFYSA-N	405.429	5.786	30	20	HKED	
C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nc(C(F)(F)F)cs1	681049695	OLIJUSSCDUUIHA-FXQIFTODSA-N	414.337	5.722	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(Cl)c(Cl)c1O	727648563	KHKQPJYHCIMPHE-UHFFFAOYSA-N	415.202	5.497	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cs1	727685385	LKPDKDIBCCATQJ-JLHYYAGUSA-N	424.497	5.130	30	20	HKED	
N#CCOc1cccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)c1	730151570	MUMQOHBVNWSXNG-LDADJPATSA-N	419.893	5.703	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730686781	JSADFJVHLVVVMU-QRVBRYPASA-N	423.299	5.598	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(Br)c1	730953069	MCLZSOPBTVMVKY-SECBINFHSA-N	412.715	5.161	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1	731062355	JDFMUQNVCFOIAW-GFCCVEGCSA-N	423.321	5.041	30	20	HKED	
N#C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl	731196035	UUIIFGXBAAAJGN-ZDUSSCGKSA-N	404.080	5.060	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1	732418985	XLDCUTQUVNWULJ-QPPBQGQZSA-N	415.924	6.017	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc2ccc(Cl)cc2[nH]1	732545145	WKIPGKBSIOUVNZ-CQSZACIVSA-N	400.869	5.246	30	20	HKED	
CCN(C(=O)/C=C\c1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1ccccn1	733109821	OJCVQQWUKJTQAY-JBDIQEJZSA-N	401.897	5.258	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](CC2CCCCC2)C(C)C)ccc1OC	734327517	ZFAITECURLTTON-NHCUHLMSSA-N	400.563	5.235	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)c1ccncc1	734660336	PIKFJDFPTBGDHT-VQTJNVASSA-N	414.347	5.302	30	20	HKED	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	735115693	LRPGRMDBRNITQR-AWEZNQCLSA-N	422.868	5.209	30	20	HKED	
CC(C)c1noc([C@H](C)OC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	735163827	PGEJJYHRXLYBAT-ZDUSSCGKSA-N	411.845	5.428	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1nc(-c2ccc(Cl)cc2)no1	735319181	VOHGJRHIEZPCPL-UHFFFAOYSA-N	406.294	5.379	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	739154023	AVDFBASVEOVKDM-SMDDNHRTSA-N	406.404	5.509	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2cnn(C)c2)c1	741532701	LRCGLTZLQZLDCP-UHFFFAOYSA-N	424.479	5.253	30	20	HKED	
C/C(=C/C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1C(F)(F)F	741936998	QKVXYSFIZSPZFK-NTMALXAHSA-N	419.287	5.452	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCSc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	744075188	SDGHCEWVROJFIL-KBPBESRZSA-N	412.486	5.544	30	20	HKED	
N#C[C@H](C(=O)c1sccc1-c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1	744938767	OTYDKDKZGPIOJV-OAHLLOKOSA-N	412.898	6.307	30	20	HKED	
COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	747204683	ZXELPHMLFGYJSH-BRPSZJMVSA-N	404.282	5.064	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1	747369217	DSOJEMRWPHFXJK-UHFFFAOYSA-N	404.495	5.261	30	20	HKED	
CC(C)c1ccc([C@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C(C)C)cc1	747619724	QPHIZZBYWPWBSL-PXDATVDWSA-N	412.537	5.334	30	20	HKED	
C/C(=C/c1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	759267109	GINUGWMUNDLWBZ-BZPDREMPSA-N	403.894	5.615	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	759338797	PSNNCRPDDDBWCP-SFHVURJKSA-N	422.516	5.369	30	20	HKED	
C[C@@H](CCNC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(C(F)(F)F)c1	761662943	WXGYLMWWUFYXRK-ZDUSSCGKSA-N	409.383	5.062	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)oc1-c1ccc(Cl)cc1	763921463	VIACCSKXMGIROK-HUUCEWRRSA-N	410.857	5.247	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)cs1	766696572	UXKHLERAPCAXOP-SVZNOHIVSA-N	402.519	5.828	30	20	HKED	
CCc1nn(C)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	767320990	ZFEAESYWCXPZHA-UHFFFAOYSA-N	415.280	5.206	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1	767847227	MPZZLYYURYDJDP-AREMUKBSSA-N	418.500	5.535	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1Cl	768284492	ARLQAOFDWCVXCP-OAHLLOKOSA-N	401.816	5.331	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1	770611752	NTVVSMSGUIJMNY-QPPBQGQZSA-N	411.505	5.229	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1C#N	772226922	SBXZEEFLVVXSEE-UHFFFAOYSA-N	408.461	5.208	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3ccc(C(C)C)cc32)ccc1OC	772987119	SMESHCSOOFAOTP-RBBKRZOGSA-N	408.542	5.503	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)ccc1F	774161943	CISQNUPTNGYUIA-UHFFFAOYSA-N	417.506	5.656	30	20	HKED	
N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3cccc(C(F)F)c3)cc2)cc1	780383290	GNDIVKFULORCNY-UHFFFAOYSA-N	400.406	5.089	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc(SCc3ccccc3)cc2)cc1	792924500	MEIDLUNIBDUBGJ-YVLHZVERSA-N	401.531	5.577	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(C4CC4)cnc3Cl)c2)cc1	793104429	ZQSNKJDSMRSROZ-UHFFFAOYSA-N	417.896	5.510	30	20	HKED	
N#Cc1cc(NC(=O)C[C@H]2CCCOC2)ccc1Oc1ccc(C(F)(F)F)cc1	793578993	OQWCZSPDXUZCJF-CQSZACIVSA-N	404.388	5.125	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)s1	797572115	YWRZSTLGKFZSCM-GJZGRUSLSA-N	424.595	5.143	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1SCCSc1ccc(Cl)cc1	807619175	WQANNHLBVQGHNL-UHFFFAOYSA-N	423.051	5.030	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	808978800	ONFYMSBLWFAEFU-SNVBAGLBSA-N	415.318	5.219	30	20	HKED	
COc1cc(C(=O)OC2(CC#N)CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	810858693	IIXXSTRUZHIHDP-UHFFFAOYSA-N	416.817	5.042	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1	812966635	UIMMEGFOTUBIPU-SFHVURJKSA-N	420.557	5.341	30	20	HKED	
Cc1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c(C#N)cc1N(C)C	813378942	SQYPPHNZRUZTTJ-UHFFFAOYSA-N	418.111	5.194	30	20	HKED	
C=C(C)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	814292123	NRXLNLBCKQDSGW-PXNMLYILSA-N	420.899	5.286	30	20	HKED	
Cc1nnc(Sc2nnc(Nc3ccc(SC(F)F)cc3)s2)c(C#N)c1C	913031296	BKSMFHRVKKLTRU-UHFFFAOYSA-N	422.511	5.026	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2ccccc12	914488369	AIHHHMPKBTVXML-UHFFFAOYSA-N	421.500	5.062	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	914490678	CMCRDPVDTWJMAD-AATRIKPKSA-N	412.333	5.268	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	915098258	OJEUIEISRJVOQK-MRXNPFEDSA-N	418.547	5.067	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4cccs4)no3)n2)cc1	915100570	VKHNDQADXKSMBO-HNNXBMFYSA-N	420.519	5.039	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc(Br)s1	915981230	LDTADNQFRPVXLJ-BQYQJAHWSA-N	400.297	5.381	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1Cl	916056645	FWQYTKWAFBLRCU-RBBKRZOGSA-N	416.864	5.236	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1cccc(OC)c1	916891470	UVRBBZQYPSZKLP-QZMUEMGWSA-N	416.477	5.145	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2CSC)cc1	916914886	XJQZMKYNXISKAC-IBGZPJMESA-N	420.534	5.600	30	20	HKED	
Cc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995171	BOTJSKVTIOLBOY-OAHLLOKOSA-N	417.317	5.681	30	20	HKED	
CCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	916996471	MUPNUVJSRVWFHB-ZDUSSCGKSA-N	407.347	6.231	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3ccc(Cl)cc3)s2)ccc1OCC#N	917603249	NHMQWTNGXVKVHF-KRXBUXKQSA-N	409.894	5.876	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cc(C)c(C)cc3C)n2)cc1	920138284	CJGLIMMFRZZBJQ-TYOLEZHBSA-N	402.519	5.634	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(N4CCOC4=O)c3)ccc21	920749789	QJPAWIOJSRJWKX-ACCUITESSA-N	410.473	5.667	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cc2)cc1	921010402	IIAOCBLSVKWLLW-UHFFFAOYSA-N	418.543	6.081	30	20	HKED	
O=C(Nc1cccc(/C=C2\COc3c(F)cccc3C2=O)c1)c1ccccc1Cl	921266324	OAJAMDHHDOMLEO-RVDMUPIBSA-N	407.828	5.390	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3)CCC2)C1	1792140237	QRNJGMOLEZFIEQ-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c(Cl)c1	21372453	VOFJHTFCQXAYSY-QGZVFWFLSA-N	404.897	5.902	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(C)c(C)c2)o1	22255451	RNWUALGWIVFGRG-INIZCTEOSA-N	413.568	5.110	30	20	HKED	
C=CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1cccc(C)c1	27369010	FCHNGIAEIJNTOG-UHFFFAOYSA-N	423.567	5.276	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([C@H](C)CC)cc1	39758049	NMEKULYTEXKNHE-GOSISDBHSA-N	420.582	5.299	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	41537957	WWIVKIDQMGTMSQ-AWEZNQCLSA-N	418.261	5.515	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1C	53612785	IPHSZVKMKHCJNX-UHFFFAOYSA-N	415.518	5.370	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2c1C	64714540	LMEVVIJWEHTDLO-OAHLLOKOSA-N	407.445	5.677	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl	107806851	HHGJSNRZXQAOMG-MOPGFXCFSA-N	403.869	5.450	30	20	HKED	
N#CCCn1cc(C(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c2ccccc21	115199089	YJFUZMPKYSBKBK-UHFFFAOYSA-N	404.470	5.059	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	139443080	RELMIACRSMKVBY-LBPRGKRZSA-N	414.330	5.824	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1F	218656000	JPPABCNSVKIBCE-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
C=CCCc1ccccc1NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1	409848875	QMEQFTRLBNOVNU-UHFFFAOYSA-N	401.413	5.077	30	20	HKED	
COc1ccc([C@H](C)CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	426161177	MUIOGKNZUAIQHF-LJQANCHMSA-N	414.505	5.473	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cn1	432070914	CYXWTEPIZDLSHW-QWHCGFSZSA-N	419.348	5.121	30	20	HKED	
N#CC(CCSc1nccn1Cc1ccccn1)(c1ccccc1)c1ccccc1	434650686	PRJOIDHAAOPUMA-UHFFFAOYSA-N	410.546	5.318	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)Cc2cn(CCC#N)nc2-c2ccncc2)s1	435128655	IXIFETXIVHNXMR-UHFFFAOYSA-N	417.538	5.024	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc2o1	438053640	WEPKUKXKOZTMCT-AZUAARDMSA-N	402.498	5.429	30	20	HKED	
CCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)Cc1ccc(OC)cc1	438633053	FPOOXXNGQXBGSI-CQSZACIVSA-N	405.420	5.071	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(COCCc2ccccc2)c1)c1ccccc1	439361765	UBXSVNZFPKXYFC-RUZDIDTESA-N	413.521	5.612	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1	439373518	PRZGBUFLMJTWBF-NRFANRHFSA-N	402.523	5.540	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1	442057615	CQCDLWFYQJKUDR-LBPRGKRZSA-N	406.255	5.004	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	443881292	QOYSXJINEYHPTE-UHFFFAOYSA-N	409.433	5.184	30	20	HKED	
COc1ccc(Br)cc1-c1nc(CN2CCCC(C)(C)[C@@H]2C#N)cs1	444727672	QEEFSOHQCHCGKU-KRWDZBQOSA-N	420.376	5.095	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)c1c(F)cc(C#N)cc1F	445792662	YVAPBWOOOBPLJI-UHFFFAOYSA-N	412.823	5.630	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3noc(-c4ccccc4)n3)o2)cc1	446063445	YJAVLJIROCCURI-CQSZACIVSA-N	406.467	5.205	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	446487479	BFXRWYRRQMBBJK-PWSUYJOCSA-N	422.316	5.168	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	446493005	CZYKWEJSLSNLBA-NWDGAFQWSA-N	422.316	5.168	30	20	HKED	
N#Cc1c(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cn2ccccc12	447054432	NONKUKIRSVOHKK-UHFFFAOYSA-N	418.859	5.468	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2Cc2cccs2)c1	461486037	GQIRKMMTUNPIBP-JOCHJYFZSA-N	411.534	5.268	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1SCCc2sccc21	463754535	HOVGCZYRBKYPJU-JOCHJYFZSA-N	422.550	5.631	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCn4c(cc5ccccc54)C3)c2)cc1	463754623	IYXLACTWRBPVCQ-UHFFFAOYSA-N	408.461	5.353	30	20	HKED	
C[C@@H](NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc(C#N)cc1	464358228	FXANUMCUVHPLEU-KUHUBIRLSA-N	420.513	5.259	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1	464726236	RBQSBQJIRWRNFW-OAHLLOKOSA-N	416.378	5.056	30	20	HKED	
COc1cc2nc(C)sc2cc1NC(=O)c1cn(CCCC#N)c2ccccc12	469077723	UVAPMLOYKRLDCJ-UHFFFAOYSA-N	404.495	5.124	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)n1	470271785	WXUXEPMVSXCWDP-RBBKRZOGSA-N	400.482	5.262	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccc(F)c(F)c1	475694077	FMQIOYSGYRMLAW-OAQYLSRUSA-N	410.420	5.166	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1S[C@H](C)CC#N	480563224	LAKUYPQKIRHMLM-CQSZACIVSA-N	405.976	6.016	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	482005744	ZIHMRMDZJVRQMT-FQEVSTJZSA-N	405.885	5.937	30	20	HKED	
COc1ccc(OC(F)F)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	483039268	IURXRBJIOIRMLN-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccccc1OC1CCCC1	484789170	SPFSVBPQUKFWEZ-UHFFFAOYSA-N	410.562	5.073	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccccc1	487617121	MBJGVJBBNWRYHU-LJQANCHMSA-N	418.522	5.557	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1	488298346	PGABKLHBDHTYHA-LURJTMIESA-N	401.307	5.203	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](c3ccccc3F)C2)cc1	500096217	HUEPCGYRBXJYSN-FQEVSTJZSA-N	416.521	5.619	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCCOc3ccccc32)cc1	504682558	JTGIOTNXCZSLCE-JOCHJYFZSA-N	414.530	5.494	30	20	HKED	
COc1ccc([C@H]2C[C@H](NC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1F	505323925	AIKBMIJNJNMEFN-XIRDDKMYSA-N	413.518	5.296	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1	505913652	VNOPJQNOCOGXJN-MRXNPFEDSA-N	401.215	5.483	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	508143293	OFCLREFTQSYKTJ-INIZCTEOSA-N	414.958	5.274	30	20	HKED	
Cc1c(C(=O)Nc2cc(C#N)ccc2OC(C)C)oc2ccc(Br)cc12	509567933	AWCOZPJYRBWFRR-UHFFFAOYSA-N	413.271	5.415	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(-c2cccnc2)noc1C	510810475	DIKLAMZYHYUWGB-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1	510841473	IZLHBVAXOUXYGI-UHFFFAOYSA-N	405.672	5.016	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(Br)cc1F	511113690	DADXBGRGZIVFDB-UHFFFAOYSA-N	408.246	5.043	30	20	HKED	
C[C@@H](C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1c(F)cccc1F	511724705	PIFMPUSLFUBFPG-RFAUZJTJSA-N	409.301	5.090	30	20	HKED	
C[C@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc(C#N)cc1F	512276410	COXKECQGSBPVBJ-SFHVURJKSA-N	413.496	5.392	30	20	HKED	
COc1ccc(C[C@H](N[C@H](C)c2ccc(C#N)cc2F)c2ccc(OC)cc2)cc1	512613338	RRTQELOUPCCGRF-NSYGIPOTSA-N	404.485	5.349	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc(-c2ccncc2)cs1	512963223	BCVJIJXMKIYIKR-SFHVURJKSA-N	414.515	5.241	30	20	HKED	
CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)NCC(C)(C)CCC#N	513135819	OPSZAXIREBJYTK-UHFFFAOYSA-N	401.551	5.804	30	20	HKED	
N#CCc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1	514425407	XRSFTDDMMJMBLX-NRFANRHFSA-N	413.908	5.449	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cn1ccc2ccccc21	517461514	KHYPHBUJTVQZIJ-UHFFFAOYSA-N	403.429	5.305	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCC(=O)c2ccc3ccccc3c2)cc1	518177917	TWWSLWWTHXCJIK-UHFFFAOYSA-N	400.478	5.148	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1	518259571	NHKHWGPQLFEQPS-AWEZNQCLSA-N	405.470	5.346	30	20	HKED	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c12	519028726	UEFUQSBBEXQKSH-UHFFFAOYSA-N	423.476	5.070	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Cl)c2ccccc12	519413148	FCTVRUHYTQMEPW-OAHLLOKOSA-N	410.926	5.762	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccsc4)s3)cc2)cc1	520322950	LJNRTWYJXJDIGQ-UHFFFAOYSA-N	418.503	5.377	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	523708697	RSQZVYAOMUWKRW-UHFFFAOYSA-N	413.477	5.047	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)o2)c(C)c1	524113936	JGEHKUULYQGRKA-UHFFFAOYSA-N	412.392	5.201	30	20	HKED	
COc1cccc(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1OC	524709784	UUPSUJVTJBWAPL-UHFFFAOYSA-N	420.440	5.078	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)s1	524966348	MEAUQBIQEAXYHD-UHFFFAOYSA-N	404.495	5.387	30	20	HKED	
CC(C)CN(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1	525458596	NQRDOMIRXLSVFC-OALUTQOASA-N	402.416	5.250	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccncc2)s1)c1nc(-c2ccc(Cl)cc2)cs1	536442585	SOCRQWWUVKXHKU-OAHLLOKOSA-N	422.922	5.472	30	20	HKED	
C=CCC[C@@H](NCc1nnc(C(=O)Nc2ccc(CC)cc2)s1)c1ccccc1	537156623	RYFNSXRBBIIVCE-HXUWFJFHSA-N	406.555	5.150	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@@H](c3ccc(F)cc3)c3cccs3)CC2)cc1	537293282	KWECHNAIDYJZDS-DEOSSOPVSA-N	405.542	5.102	30	20	HKED	
C=CCN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1	537933477	ZPXFJHYEVQBBCR-SAPNQHFASA-N	419.506	5.312	30	20	HKED	
C=CCC[C@H](NCc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccccc1	539358436	PEWXINPQQULQOJ-QFIPXVFZSA-N	405.567	5.430	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1	540024341	GFEVBYVBJKHOKP-AWEZNQCLSA-N	423.925	5.065	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1	544614529	SOVLFNJOZXGHSF-HKUYNNGSSA-N	421.394	5.100	30	20	HKED	
Cc1cc(F)ccc1C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	552973754	RTVICGYJIHRZOX-UHFFFAOYSA-N	403.501	5.412	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](c2ccccc2)O1	553310603	FTUXJWZYHHTEJR-MHECFPHRSA-N	413.477	5.344	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)ccc1Cl	553429413	CDXFRNLSTGWFRN-UHFFFAOYSA-N	417.827	5.925	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1	557583692	UIQWBVAVVKEFTN-AWEZNQCLSA-N	421.488	6.014	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(OCCCO)cc2)c1	557708189	FFSPYUHCGXLCGN-UHFFFAOYSA-N	422.868	5.017	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1OCC	560357685	LKVVENGIFXBLLU-UHFFFAOYSA-N	404.869	5.227	30	20	HKED	
N#Cc1cc(Br)ccc1CNc1ccccc1NC(=O)c1ccccc1	564199079	HPFPQWOROBZWEL-UHFFFAOYSA-N	406.283	5.185	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1	564545315	KSEXUPFQCFFYFZ-GBXCKJPGSA-N	414.530	5.217	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2Cc2ccccc2)c1	569775912	FLWDGTXCPGRQGL-OAQYLSRUSA-N	411.534	5.268	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Cl	580228959	OGZCRKXCTWDBSU-LLVKDONJSA-N	423.763	5.915	30	20	HKED	
CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	582080316	ZRKPHXVAJZUBAE-DEOSSOPVSA-N	413.477	5.128	30	20	HKED	
COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(CN[C@@H](C)c2cccc(C#N)c2)c1	590114945	TUDCHEIVQOBRQI-PMACEKPBSA-N	424.548	5.140	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)sc2c1	592974310	QGZMITYOPZCAEF-LBPRGKRZSA-N	400.887	6.102	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccccc2Cl)n1	603527717	ZZIFBQOWIUDFDW-UHFFFAOYSA-N	409.942	5.315	30	20	HKED	
CCN(Cc1ccccc1Cl)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	603648321	GKLHTJCONQBUIM-UHFFFAOYSA-N	410.930	5.313	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)NCCSCc3ccccc3C#N)ccc2o1	603747941	HQXDDVMDBXVEBY-UHFFFAOYSA-N	408.527	5.052	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)cc1	603802052	ZKUMTMQZIIVYOZ-HSZRJFAPSA-N	403.551	5.674	30	20	HKED	
CC(C)(C)c1ccc([C@H](NCCC(=O)Nc2sccc2C#N)C(F)(F)F)cc1	604483991	DJLRXSPBNCNSMI-KRWDZBQOSA-N	409.477	5.139	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccnc(Oc4ccccc4)c3)cn2)cc1	604535208	JOCZFMNSZHYRCU-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C=CCn1c(SCc2ccon2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	604694065	NVCDOCWRHRXSES-UHFFFAOYSA-N	413.499	5.039	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)oc2ccccc12	609105690	CNJCBTVIKUSZFV-UHFFFAOYSA-N	400.409	5.583	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCc1ccc(Br)cc1F	609375896	IWMMEFIICKPJRS-UHFFFAOYSA-N	407.308	5.165	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	609378678	ZEKZFTDLSOWSMO-SJORKVTESA-N	420.456	5.462	30	20	HKED	
CC(NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)(c1ccccc1)c1ccccc1	609504902	LXEWIQNGJGFDTE-UHFFFAOYSA-N	419.484	5.439	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccc(Cl)cc1	609589585	LEKVTEPWFSAYRG-AWEZNQCLSA-N	423.097	5.232	30	20	HKED	
C[C@H](Sc1nnc(S[C@H](C)c2ccc(C#N)cc2)n1C)c1ccc(C#N)cc1	609813833	XOPNWGPOCZFJRL-GASCZTMLSA-N	405.552	5.265	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1	609930263	XGFAZRCZPMSYSL-VGOFRKELSA-N	402.523	5.387	30	20	HKED	
CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	610007358	LHMIXPXBTCLCHR-ZDUSSCGKSA-N	422.428	5.095	30	20	HKED	
Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	610015898	USOPWQFHAAYACZ-GOSISDBHSA-N	400.482	5.149	30	20	HKED	
CCc1nc([C@H]2CCCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)no1	610497754	HSWWOQWSFZNZOV-LJQANCHMSA-N	418.522	5.022	30	20	HKED	
COc1cccc(-c2nc(CSc3ccc(Cl)cc3C#N)cs2)c1OC	610655218	VINNCMJPJSNWFW-UHFFFAOYSA-N	402.928	5.645	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c(Cl)c1	611477455	MELXVYXJSIZOJF-UHFFFAOYSA-N	422.724	5.818	30	20	HKED	
COc1cccc(CC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	612306908	NTTKMXXGAKDGSD-GOSISDBHSA-N	423.582	5.576	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	612805914	RPWAOXCGLFQYKD-GJZGRUSLSA-N	408.386	5.294	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(Cl)cccc2s1)c1nc2ccccc2n1C(F)F	613404722	VARLJWYAVXUALO-NSHDSACASA-N	401.825	5.790	30	20	HKED	
O=C(c1[nH]c2ccc(F)cc2c1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618366221	ZIKSSGSKHFMPKR-YUMQZZPRSA-N	416.724	5.163	30	20	HKED	
CC(=O)Nc1cccc(CNc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1	630065906	YHHLULYLEXPZDM-UHFFFAOYSA-N	408.317	5.547	30	20	HKED	
CCCn1nc(C)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	675341521	YHMDGISLFFOLBI-CYBMUJFWSA-N	406.433	5.029	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cc3c(cc2Sc2ccccc2)OCCO3)c1	726489485	NYZZVWJTPJVGFD-UHFFFAOYSA-N	418.543	5.399	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc(Cl)ccc1Cl	727996625	JXAIICIZZRWMJV-UHFFFAOYSA-N	412.276	5.400	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)C(C)C)c1	728247291	YXQMBUOKGJSUKQ-UHFFFAOYSA-N	421.500	5.749	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)c1	728482440	NRKIVWAAHOICDB-UHFFFAOYSA-N	401.491	5.134	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1ccc(C#N)cc1	730149185	UQKRBUGQAQFKLZ-KHPPLWFESA-N	409.308	5.649	30	20	HKED	
Cc1nc(CCC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc1-c1ccccc1	730157545	QSNRGVWAKFLPAM-UHFFFAOYSA-N	408.457	5.727	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)co1	730167888	FQGRQTFDMHOWKY-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
CO[C@](C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	730398196	GACCNZOWMXPMQS-LIRRHRJNSA-N	404.413	5.053	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc2cc(F)ccc2s1	730695519	JBWSKWMARZBXMC-LBPRGKRZSA-N	415.902	5.508	30	20	HKED	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	731114392	QUAAVXWRLQKKJI-HNNXBMFYSA-N	421.488	6.011	30	20	HKED	
C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccc2ccccc12	731253315	HLZAZEHXRHTOAS-IBGZPJMESA-N	400.478	5.171	30	20	HKED	
CSc1ccc2cc(CNc3ccccc3S[C@H](C)CC#N)c(Cl)nc2c1	731352484	ZTIPEHRGZUXKQU-CQSZACIVSA-N	413.999	6.616	30	20	HKED	
CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1cscn1	731420123	HMUMQBNCJUUBGA-HXUWFJFHSA-N	423.925	5.063	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(Cl)c(Cl)c1	731644041	NGNKKDKQCQKLRD-QGZVFWFLSA-N	423.390	5.857	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)cs1	734081306	IKGYOVINLHDBMY-AWEZNQCLSA-N	402.306	5.321	30	20	HKED	
C=CC[C@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccncc1	734457442	JIZKJBJOPWFBHZ-QHCPKHFHSA-N	406.913	5.290	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	741647588	ZXUBSKXVFUHBOA-UHFFFAOYSA-N	417.440	5.042	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1C(F)(F)F	741924396	FNZCLAHZJDXZOS-XFNCEPBJSA-N	404.457	5.999	30	20	HKED	
Cc1cc(Br)ccc1NN=Cc1c(F)ccc(C2OCCO2)c1Cl	761806915	DNHOQRIIKOAZAY-UHFFFAOYSA-N	413.674	5.041	30	20	HKED	
CCn1c(NC(=S)Nc2c(Cl)ccc(C)c2Cl)nc2cc(C#N)ccc21	763295251	VSDVKEZUROMMRN-UHFFFAOYSA-N	404.326	5.352	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cccc([N+](=O)[O-])c1	763946035	WFXLKFLPDYPIIH-SJCJKPOMSA-N	411.870	5.352	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc(C#N)c(F)c1	766331713	SMKZCROIACKLPT-ZDUSSCGKSA-N	411.839	5.915	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccc(Br)cc1F	767735292	BDPBGBAUJRUBSE-FLIBITNWSA-N	412.258	5.458	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4cccc(C)c4)o3)o2)cc1	768462268	QBFVWOTVNROLLK-HNNXBMFYSA-N	420.494	5.513	30	20	HKED	
CN(CCC#N)c1ccc(CNc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1	770564608	XXNNWUAWBPOXPN-UHFFFAOYSA-N	420.557	5.336	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CO2	770846392	IJYNQMVDIRJZER-ROUUACIJSA-N	408.910	5.433	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	776794407	HLZGCZIKUMJSFQ-UHFFFAOYSA-N	401.413	5.076	30	20	HKED	
COCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(C)o1	778257562	VMGWVKKXGDLBDR-FCHUYYIVSA-N	403.482	5.143	30	20	HKED	
N#CCSc1ccccc1C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1	779166324	MOXUMWLEHUPMLC-UHFFFAOYSA-N	402.922	5.337	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4O[C@H](C)C#N)cc3)o2)c1	780145276	GRCFQIDQJJBBKE-QGZVFWFLSA-N	424.460	5.255	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)nc1	781062066	QJOTZORAJIUVHU-UHFFFAOYSA-N	417.465	5.061	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)c1	782553950	XBVBPUCGUPTNSB-RUZDIDTESA-N	409.489	5.282	30	20	HKED	
C=C[C@@](C)(CC)C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1	785464967	AUKKUJSOZLYYDB-FQEVSTJZSA-N	402.288	5.209	30	20	HKED	
N#Cc1ccc(CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)nc1	788097207	SNJXPQQBGSPNNJ-UHFFFAOYSA-N	407.496	5.155	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	789891069	UYNHDIBNGONZJS-FQEVSTJZSA-N	412.574	5.514	30	20	HKED	
O=C(/C(=C\c1cnnn1Cc1ccccc1)c1nc2ccccc2s1)c1ccccc1	792860772	XYNZTPZDJHOTBP-RCCKNPSSSA-N	422.513	5.360	30	20	HKED	
Cc1c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)sc2ccc(C#N)cc12	796624823	UIYBVZWKHFNYET-UHFFFAOYSA-N	419.289	5.184	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)COc2ccccc2OCc2ccccc2)s1	797566707	RFHSWUQNUYDQTJ-GOSISDBHSA-N	420.534	5.275	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CSCc2cc(-c3cccs3)on2)s1	797568293	HEGCIBXRKKIZFV-CYBMUJFWSA-N	417.581	5.267	30	20	HKED	
CN(C(=O)c1cnc(Cl)c(F)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	808720231	QPCAEOHZXPRGGY-LBPRGKRZSA-N	414.708	5.269	30	20	HKED	
Cn1c(CC(=NOCc2cncc(C(F)(F)F)c2)c2ccccc2)nc2ccccc21	812304634	QYSNMOKZULDXMM-UHFFFAOYSA-N	424.426	5.151	30	20	HKED	
N#C[C@@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1cc(C(F)(F)F)ccn1	813213955	RCUDVLTZVWIFTK-LPPOOGIUSA-N	416.399	5.718	30	20	HKED	
N#CCCC[C@@H](NCc1nc2ccc(Br)cc2s1)c1ccccc1	814304594	ORYUBVSYALILHB-MRXNPFEDSA-N	400.345	5.584	30	20	HKED	
C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1nc(-c2ccccc2)cs1	815941066	PFEBEAAGFJHCLC-LLVKDONJSA-N	403.385	5.014	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C2CCCCC2)cc1	916927464	KLQPXZRNWITRLA-GOSISDBHSA-N	415.320	6.002	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc2ccc(F)cc12	916944508	GPEYEHBFQUZTBV-HNNXBMFYSA-N	405.212	5.148	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	916947828	QNRFJWVYCOKREE-ACJLOTCBSA-N	421.478	5.284	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3SCC)cc2)CCC1	1785780202	PDCHUGRFXWFENG-KRWDZBQOSA-N	423.582	5.154	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(C)o3)CCC2)cc1	1786678242	LZXKGAIWPSJHKZ-BMRADRMJSA-N	424.566	5.045	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1	1789905239	QXJTZIIAWQDCAY-UHFFFAOYSA-N	421.349	5.216	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3cccs3)cc2)CCC1	1791814916	AMRBSZVGAAOHRA-OAHLLOKOSA-N	418.509	5.197	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1	1826283404	GLYHJDZVSZPXNO-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
C=C1CC(C(=O)N2CCCC23CN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C3)C1	1841019646	RXGCEWHYGICWBN-UHFFFAOYSA-N	422.613	5.065	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2OC)[n+]2ccc(CC)cc2)cc1	10118361	SELLZARJCJVMLT-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
Cc1ccc(SCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	14803537	OVXAPTMZKKENQC-UHFFFAOYSA-N	418.587	5.681	30	20	HKED	
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1	16151293	MGAGPLIEMONMDF-SFHVURJKSA-N	417.559	5.139	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccc(F)cc1	22300863	VBEONBVKNUYSKY-UHFFFAOYSA-N	421.497	5.286	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)cc2)C1	29112478	GSYNPYYZCKAHAI-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC(c3c[nH]c4ccc(OC)cc34)CC2)c1	56772775	NIDSFJRYAHSZBL-UHFFFAOYSA-N	405.498	5.153	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccccc2Cl)cc1	65414433	WVLCEAHHBFHHIH-UHFFFAOYSA-N	419.912	5.349	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	107575881	FMOUNLNQUYWMBS-UHFFFAOYSA-N	412.795	5.037	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cccc(SCC#N)c1	429879478	ZAMZXSHTYMULSQ-UHFFFAOYSA-N	422.481	5.281	30	20	HKED	
COc1ccc(Br)cc1NC(=O)c1sc2ccc(C#N)cc2c1C	429897605	DINRIFDPNTYQIB-UHFFFAOYSA-N	401.285	5.105	30	20	HKED	
COc1ccc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)n2C2CCCCC2)cc1OC	430132901	MXQFWXCKUFWKAZ-YJBOKZPZSA-N	412.559	5.252	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cs1	430575769	AASPYFBRJSLVCE-MRXNPFEDSA-N	411.552	5.275	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1	433008913	FOLOSAPEXWRGJQ-QGZVFWFLSA-N	410.732	5.610	30	20	HKED	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	434009689	BKJRLQUNSQTFLF-IERDGZPVSA-N	402.523	5.015	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	435912330	VTSHWEKBYGHSLV-INIZCTEOSA-N	415.337	5.070	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Br	436331789	OEGKFWPALIZJDM-WMZOPIPTSA-N	403.707	5.014	30	20	HKED	
CC(C)(CO)[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccs1	436502494	JPLYECBOIBFUCI-NRFANRHFSA-N	421.522	5.293	30	20	HKED	
O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	438266570	MPIFXDGPOIOHRU-UHFFFAOYSA-N	408.264	5.140	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438644372	AHVXRWMBSHDILN-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)c1ccccc1	438842682	QGVSPEHRUYVHIQ-WOJBJXKFSA-N	418.324	5.121	30	20	HKED	
CCCc1c(NC(=O)Nc2ccc3oc(CC)nc3c2)cnn1-c1cccc(C#N)c1	439330871	RNXJNCQCQRFMCC-UHFFFAOYSA-N	414.469	5.044	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1F	439642429	HWXRRPVRVYJKHP-INIZCTEOSA-N	423.438	5.449	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)o1	439656037	PWSHHBDVMMTPQO-UHFFFAOYSA-N	414.383	5.477	30	20	HKED	
CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1	442072497	FJZKHYKWVXWYDB-UHFFFAOYSA-N	406.255	5.148	30	20	HKED	
O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CC[C@H](CC(F)(F)F)C1	446369784	OLRWKDJPACCDQQ-PRHODGIISA-N	406.729	5.066	30	20	HKED	
C[C@@H](C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	462600334	VINBSIFVTFQPRT-BDJLRTHQSA-N	400.322	5.100	30	20	HKED	
CSc1cccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2cc(F)ccc2F)c1	464141014	WYDMQMWELTVYAC-DEOSSOPVSA-N	422.500	5.397	30	20	HKED	
CCO[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1=CCCC1	465126826	JYWIJNHXPBBBKI-KRWDZBQOSA-N	412.477	5.555	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cc(Br)c(F)cc2F)c1	466704274	JYAODNGIISVFGQ-UHFFFAOYSA-N	410.218	5.054	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cc(C(F)(F)F)ccc3Cl)ccc21	468811343	BXDKBVUSFZYCRB-UHFFFAOYSA-N	421.850	5.554	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCC(=O)Nc1sccc1C#N	469080810	VBBKFXZLQXZLBA-HNNXBMFYSA-N	410.568	5.073	30	20	HKED	
Cc1cccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	471203292	QYNKCJYWDOYRED-OAQYLSRUSA-N	404.901	5.063	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1	471626574	QVTDZAKUJASVJH-UHFFFAOYSA-N	424.913	5.011	30	20	HKED	
N#C[C@@]1(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CCc2ccccc2C1	472260209	OLCHMYDXYFWMOX-HXUWFJFHSA-N	401.318	5.389	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c12	474448013	RNZGJDFZQVWAQO-MRXNPFEDSA-N	402.479	5.268	30	20	HKED	
COC(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1	475985021	AFCJVNOLEGBLND-LJQANCHMSA-N	422.843	5.173	30	20	HKED	
CC(C)(C#N)CCCSc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1	476513204	GIGBNRYWKMKKFT-UHFFFAOYSA-N	424.595	5.286	30	20	HKED	
C=C(C)[C@@H](NC(=O)NCc1ccc(-c2csc(C)n2)o1)c1ccc(F)c(F)c1	476599420	QSZFUWPOJLFPLO-LJQANCHMSA-N	403.454	5.106	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C1CC1	477244269	NCRNJMKUDFDRJK-QGZVFWFLSA-N	414.509	5.434	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ccc(SC)c(OC)c1	481346396	MXXUDMGLJYHIMU-UHFFFAOYSA-N	413.568	5.066	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1	481997065	GDQJFUCNZPDHSC-HNAYVOBHSA-N	402.416	5.462	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2CCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	482555922	JRCABNONTGNVDI-KRWDZBQOSA-N	403.507	5.033	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c1	483204259	WZXCQKWQDFFEEI-IBGZPJMESA-N	424.847	5.437	30	20	HKED	
O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)Nc1cc(F)c(OC(F)F)cc1F	491247985	RZERLLSTBUWCHG-DTWKUNHWSA-N	402.310	5.056	30	20	HKED	
CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccncc1	497016999	MFHPBYKNNAPFRT-HSZRJFAPSA-N	419.912	5.564	30	20	HKED	
CCOCCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	498384513	DXLKLFDODGCOPD-UHFFFAOYSA-N	416.477	5.327	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cccc(OC(F)F)c1	502310852	QTAYKXHLOBIGJH-GFCCVEGCSA-N	400.878	5.462	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccccc1OCC(F)(F)F	503970768	VVTFOISUZLMNFN-UHFFFAOYSA-N	410.289	5.107	30	20	HKED	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	505552213	XNDABAMBMQZWAC-UHFFFAOYSA-N	410.477	5.292	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	506593582	FGMMMWCVPRNFES-ZDUSSCGKSA-N	416.243	5.548	30	20	HKED	
CCc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	507823007	DNYSGRNUDIUEEU-KRWDZBQOSA-N	415.493	5.361	30	20	HKED	
Cc1[nH]nc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)c1C#N	508753250	LBTXTVJWTXEDAZ-UHFFFAOYSA-N	422.897	5.534	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510477144	WXVYVNFTWAJCOJ-UHFFFAOYSA-N	407.857	5.438	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc([N+](=O)[O-])c1	510640748	MJZVFIPARVPILH-OAHLLOKOSA-N	402.410	5.141	30	20	HKED	
Cc1sc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)nc1-c1ccc(Cl)cc1	510947495	DYKKRKBIVUZQMQ-UHFFFAOYSA-N	424.957	5.895	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1	513301720	NQULQCZHZRLHNM-OAQYLSRUSA-N	418.880	5.044	30	20	HKED	
O=C(NCCCOCC(F)(F)F)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1	516513769	DWMIKYAJJCRIDL-UHFFFAOYSA-N	423.328	5.210	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)cc1	518256989	VSMALXKXDWUDNZ-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	519184682	DAJOSNXQBMEYBI-VWLOTQADSA-N	411.505	5.449	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3Cc3ccc(F)cc3)cc2)nc1	520353119	ZQHKKCWCQZHBCS-QFIPXVFZSA-N	415.468	5.122	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(OCc4ccncc4)cc3)c2)cc1	520532275	LEPCESCVYUVBIW-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1Cl	521251201	WDDVDPVVHRJUIM-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)sc1-c1ccc(F)cc1	524013274	HSJYUYTWOITGNK-HNNXBMFYSA-N	404.388	5.767	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2)c1	524122714	MAARIHAGKLBIJJ-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1ccoc1C	524456226	YTRTYOYULRRKCC-UHFFFAOYSA-N	412.515	5.587	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1cc(CC#N)ccn1)c(C)n2C1CCCCC1	531669867	QFIQVVLHLFABJS-UHFFFAOYSA-N	402.498	5.177	30	20	HKED	
Cc1ccc([C@@H](N[C@@H](C)c2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1	537305075	BDNBJVGFNORCMK-DFBJGRDBSA-N	418.562	5.019	30	20	HKED	
Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1-c1ccccc1	540377424	ZSLOVOXDZKADSD-QGZVFWFLSA-N	418.909	5.354	30	20	HKED	
Cc1ccccc1Cc1noc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	541085790	TVVYEBLTASZJOA-LJQANCHMSA-N	408.505	5.358	30	20	HKED	
C[C@@H](NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543942284	CMVFCYNWVCYSTK-RTBURBONSA-N	413.521	5.264	30	20	HKED	
N#Cc1ccc(CN(Cc2ncc(-c3cccc(Br)c3)o2)C2CC2)cc1	544106579	QQZLAOGTNXZJGD-UHFFFAOYSA-N	408.299	5.140	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1	546811553	RVHCWQYGPFBBIC-IBGZPJMESA-N	418.415	5.018	30	20	HKED	
CN1CC[C@H](c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)c2ccccc21	547056621	KXYCTSKWZWTENU-GMGKOPGTSA-N	409.493	5.080	30	20	HKED	
N#Cc1cc(Oc2ccc(NCC(=O)Nc3ccc(Cl)cc3Cl)cc2)ccn1	567092016	UXFZPAMIFOQWDE-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1nc(-c2ccc(Br)cc2)cs1	570322491	BRYRWTXBYNIGIH-DJJJIMSYSA-N	424.367	5.782	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)o1	579062894	YWEUXVQNNNPKQJ-QFIPXVFZSA-N	416.481	5.796	30	20	HKED	
N#CCC[C@@H](NCc1cc(Br)cc(Br)c1)c1ccccc1	588927237	WMHVYRIOTBHWSW-QGZVFWFLSA-N	408.137	5.346	30	20	HKED	
N#Cc1ccnc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1	603726967	SWOGPKVHWOKYIA-IBGZPJMESA-N	413.424	5.444	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(F)cc2F)cc1Cl	603758765	GHYGYXMDSWAACP-GOSISDBHSA-N	412.823	5.291	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cs1	603951861	KLQNWLHXYJQNJP-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
CCN(C(=O)[C@@H](C)Sc1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1	603956092	BOMRNYKRCYBNTO-HUUCEWRRSA-N	417.372	5.411	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1	607399404	UDYYHXHHZUFDFY-UHFFFAOYSA-N	400.404	5.111	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1	607699192	QMJJCUZDZHFJCI-JLTOFOAXSA-N	423.406	5.012	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	609060659	JVUQHPQNFISNPX-PMACEKPBSA-N	416.443	5.753	30	20	HKED	
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	609222115	UDVOYOZFVPWQSD-MSOLQXFVSA-N	415.493	5.037	30	20	HKED	
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	609222120	UDVOYOZFVPWQSD-ZWKOTPCHSA-N	415.493	5.037	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3Cc4ccccc4-c4ccccc4C3)cc2)nc1	609517191	RHLHKFGTCOTUKA-UHFFFAOYSA-N	417.468	5.569	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CSc3ccccc32)cc1	609816325	HJRXNCIVUJYVTK-JOCHJYFZSA-N	417.509	5.256	30	20	HKED	
C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	610019564	UAWVATDTZWWJHV-INIZCTEOSA-N	401.441	5.641	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@H](C)N[C@H](C)c3cccc(C#N)c3)s2)cc1OC	610830326	MNVWBDDAVRRMLF-CVEARBPZSA-N	421.566	5.343	30	20	HKED	
CCc1nnc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1	612011296	QFEGNFLJBQWIMR-UHFFFAOYSA-N	404.417	5.395	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4nccs4)c3C)n2)cc1	613314719	WFAGNPNEPKKZCP-SFHVURJKSA-N	418.547	5.473	30	20	HKED	
FC(F)(F)c1cnc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(Cl)c1	642186739	VSNGTPCYYWLRNJ-BQBZGAKWSA-N	414.699	6.075	30	20	HKED	
O=C(c1ccccc1CCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	677520835	HLTVZUVXUKZPJG-TXEJJXNPSA-N	421.303	5.384	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCCC[C@@H](COC)C1	685540503	VZYIGVIEDBISTQ-WOJBJXKFSA-N	420.557	5.010	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c[nH]c2c1	726142675	LAOQFBXXHAXFKL-JOCHJYFZSA-N	413.908	5.966	30	20	HKED	
COc1ccc(N(Cc2cccs2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726446192	VBNNHZXTTFKZIP-UHFFFAOYSA-N	413.955	5.685	30	20	HKED	
CCN(c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1)C(C)C	727983465	SHMQAYRHCBVGCD-UHFFFAOYSA-N	403.482	5.217	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1OC	728037768	YJSAJUXIVHVECE-GOSISDBHSA-N	405.416	5.256	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(Oc2cccc(F)c2)c2ccncc12	728177855	KXWXZEQKLDNNQC-UHFFFAOYSA-N	414.465	5.847	30	20	HKED	
N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc2ccccc2n1C(F)F	728765785	RNNGSSKESYQVCL-ZIAGYGMSSA-N	407.342	5.344	30	20	HKED	
CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nn(CN(C)[C@@H](C)CC#N)c1=S	728902965	ZBNJCAAOBLDWGQ-ZDUSSCGKSA-N	412.390	5.235	30	20	HKED	
Cc1nc(CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)oc1-c1ccccc1	730398552	KKOJHZYVGBVAMT-INIZCTEOSA-N	421.909	5.722	30	20	HKED	
N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc2cc(F)ccc2s1	730422858	XQJBGSZROKBYOY-HNNXBMFYSA-N	404.919	5.838	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2ccccc2o1	730689952	NUHYCVODEKMRDA-GFCCVEGCSA-N	415.396	5.265	30	20	HKED	
Cc1nc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	733679958	QJXYNUPPAOLABH-AWEZNQCLSA-N	422.362	5.691	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccccc3)nc2)cc1	733680294	YUTKXJQEWOFEHQ-JTSKRJEESA-N	413.477	5.349	30	20	HKED	
CCC[C@H](NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N)c1ccccc1	735320443	SOFHLLPIUMMPBN-UZLBHIALSA-N	416.974	5.522	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1	735396064	LOISPFZUYSXBNI-GOEBONIOSA-N	413.340	5.504	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cc(Br)cs3)c2)s1	739591116	RTJRGHBSHSRATC-UHFFFAOYSA-N	403.326	5.041	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	744037806	DRSYMGRPIVMXCT-HMVFGEFZSA-N	419.353	5.730	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1	744277911	XWQLEGWKMGBZDR-UHFFFAOYSA-N	419.481	5.040	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1ccccc1COc1ccccc1Cl)c1ccncc1	745827970	PJKLQKPXLGSGKK-JOCHJYFZSA-N	421.928	5.431	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCCOc2ccccc2Br)n1	747199647	ZOZJFWPSNCMXMX-ZDUSSCGKSA-N	407.333	5.064	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cccc(CC)c1	749103428	YYFSWRDDLFVKCI-UHFFFAOYSA-N	407.352	5.536	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C[C@H](C)c3ccccc3C2=O)cs1	751537760	ZOOHUDMHIYSATH-QXPQOBGOSA-N	422.937	6.255	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1OC(F)F	753411951	GVQUGNUHBWSMGE-ZHZWZMEUSA-N	402.397	5.317	30	20	HKED	
CC(Cn1nc(C)cc1C)=NO[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	753820870	CJFQTKZLNRKSAM-CQSZACIVSA-N	407.301	5.615	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1	756239693	CNUIAFDMJXLEFL-AWEZNQCLSA-N	419.384	5.032	30	20	HKED	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	757656778	CGENPGAAJHSTPV-IRXDYDNUSA-N	400.478	5.129	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cc(F)c(Cl)cc1Cl	761664019	GQZMDFDGHWUPDV-SECBINFHSA-N	400.212	5.057	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cccc(/C=C\C(=O)c3ccc(C#N)s3)c2)s1	762442879	LFCHZPMGDXFHEX-XEQVNJCQSA-N	400.484	5.345	30	20	HKED	
CCCOc1cccc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	763004654	LNBAXFSRAGWZOI-INIZCTEOSA-N	412.461	5.296	30	20	HKED	
C=CC[C@@H](NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)c1ccncc1	764364947	ZVASMQMQCICYIR-HXUWFJFHSA-N	401.432	5.217	30	20	HKED	
O=C(/C=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(C(F)(F)F)nc1O	766689271	SYCFBQPSXSLIEZ-UXBLZVDNSA-N	417.358	5.420	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771098680	OOMCRUJUZWURAB-BLGFXRMMSA-N	424.497	5.188	30	20	HKED	
CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc([C@H](C#N)c3ccccc3)cc2)C1=O	771903137	ITNDGMAGKDGCNY-RPWUZVMVSA-N	409.489	5.262	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(C(C)C)cccc32)ccc1OC	772984429	FLCIVGDVZAJPBE-UGKGYDQZSA-N	408.542	5.503	30	20	HKED	
C=CCC[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccc(C(F)(F)F)cc1	775313869	LBUMLVDUTYRMAU-HXUWFJFHSA-N	402.460	5.412	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OC)cc1	776078266	WIMRNQAAYASDDP-MOPGFXCFSA-N	410.926	5.842	30	20	HKED	
Cc1ncsc1/C=C/C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	776821247	FQOMASFLNVHUOW-BQYQJAHWSA-N	409.898	5.208	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	776896898	BIBGNSZACMZANT-UHFFFAOYSA-N	411.383	5.140	30	20	HKED	
CC(C)Sc1cc(Br)ccc1/C=C1/CCc2nc(O)ccc2C1=O	779713278	KSMWAKYLTIEYKU-LCYFTJDESA-N	404.329	5.263	30	20	HKED	
CC(C)(C#N)CCCOC(=O)Cc1csc(-c2cc(Br)cs2)n1	783078883	BJPLPJHJYANHMJ-UHFFFAOYSA-N	413.362	5.050	30	20	HKED	
C#CCC1(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)CCCCC1	788505686	LRJOPPVPYWFUGG-SFHVURJKSA-N	411.933	5.070	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1	789125699	ZTAUKAAISWZJKJ-PGRDOPGGSA-N	407.514	5.053	30	20	HKED	
C[C@]12CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C[C@@H]1C2(Cl)Cl	791247914	IRUFMDFNRVQUGQ-ICSRJNTNSA-N	401.293	5.006	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813213584	NZQMTHMCFNYRGL-CTNGQTDRSA-N	408.423	5.693	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(C(F)(F)F)cc1	813218042	LKZDMMBHDDXDGV-NHYWBVRUSA-N	400.322	5.489	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2c(Cl)c3ccccc3n2C)cc1	916948484	GWVXBSTZWUCDJW-RDTXWAMCSA-N	407.901	5.306	30	20	HKED	
N#C[C@@H](C(=O)CN1CCC[C@H]1c1cccc2ccccc12)c1nc2ccccc2s1	920087764	FRXCBHKALIBXDQ-UNMCSNQZSA-N	411.530	5.463	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCCC(F)(F)F)cc2)CCC1	1786621192	OWZFXMWEXSLLNI-UHFFFAOYSA-N	408.464	5.047	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1	1791726350	QYLMRRNFDCYIQT-UHFFFAOYSA-N	416.512	5.140	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl	9160531	PXVYQNCBLHHCKG-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccc(C)c1	17708666	YZCJKUGAWILAFM-KRWDZBQOSA-N	417.538	5.651	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccccc1	21754692	CZTBJIGCCCPFJN-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCc2ccccn2)cc1Cl	25198505	GRJCTQDXIQFRQJ-ZHACJKMWSA-N	409.869	5.227	30	20	HKED	
C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1-c1ccoc1C	30533986	DYNSJIRBHVYJQT-UHFFFAOYSA-N	405.527	5.127	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	48161907	AMOSSYRLUJTRFS-HXUWFJFHSA-N	413.521	5.865	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2c(Cl)cccc2c1C	59251720	WFYWAPCCFZYMCD-UHFFFAOYSA-N	417.852	6.014	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccoc1C	60384049	UVIMZTIKTRCSOL-DOTOQJQBSA-N	424.570	5.665	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cn3cccn3)o2)cc1Cl	107876361	LCBRNYWFASGBQS-FQEVSTJZSA-N	416.868	5.086	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)sc2cccc(F)c12	108741019	GABUQZRYMBLDNW-UHFFFAOYSA-N	406.404	5.425	30	20	HKED	
CCCCCCCCCC[C@H](CI)CCCCCCCC	114737217	XFAUJLCVKQRWOW-HXUWFJFHSA-N	408.452	8.319	30	20	HKED	
COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(OC)c1OCc1ccccc1	237168853	PEHLAOMVNBVPGN-SFHVURJKSA-N	402.494	5.005	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C1/CCc2cc(SC(F)F)ccc2C1=O	303086983	BUVRIHPSVCEPQD-JYRVWZFOSA-N	406.450	5.240	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1cccc(Cl)c1Cl	303358051	GQMLGJOKIPNPRB-CYBMUJFWSA-N	413.091	5.776	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1	303367604	JARDGOHNSNTRDI-KBPBESRZSA-N	405.470	5.422	30	20	HKED	
C=C(C)CNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1	428108114	QGJZKAKHSACBSJ-UHFFFAOYSA-N	409.338	5.030	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)cs1	428327814	VMDWCMVUWNEQQJ-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2	431616481	GTVOHWUTUYBAEE-HSZRJFAPSA-N	412.489	5.123	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3CCC(C(F)(F)F)CC3)c2)cc1	435568372	SWVAFLVFBLHOOH-UHFFFAOYSA-N	416.443	5.639	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1	436131521	RWRDMVFLFGUKCJ-SFHVURJKSA-N	402.539	5.075	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1	437598488	GJJJDRFLBADZHL-KRWDZBQOSA-N	423.969	6.133	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1cc(C#N)ccc1OC(C)C	437846385	KZQROZYKPPOFSA-UHFFFAOYSA-N	414.509	5.461	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCS1	437955550	OTPWTNMVZSVNLM-GOSISDBHSA-N	415.946	5.150	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccncc1	438209816	FEGBCOIPYZICNF-FQEVSTJZSA-N	402.454	5.027	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1c(F)cc(Br)cc1F	438638640	YPRYPRQLIJIMJE-YOEHRIQHSA-N	420.257	5.031	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1C(F)(F)F	438647452	ITIYHWOTJIKOIB-UHFFFAOYSA-N	415.371	5.110	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1	440393029	TUGHGAXCYBSQPX-IGKIAQTJSA-N	408.501	5.174	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)c2)c1	442649263	NWVDVSRBFJSJNS-OAQYLSRUSA-N	401.535	5.493	30	20	HKED	
COc1cccc(-c2nnc(S[C@H](C)c3cccc(C#N)c3)n2Cc2ccco2)c1	442917129	FYKDMJMMUJPWCM-MRXNPFEDSA-N	416.506	5.320	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCc1ncc(-c2ccc(Br)cc2)o1	443404111	DAVGNOQTQNOTJR-UHFFFAOYSA-N	419.662	5.217	30	20	HKED	
Cn1cc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc21	446003165	IVMFZFALKXKBLP-UHFFFAOYSA-N	423.516	5.395	30	20	HKED	
COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Cl	447720254	QXCRLQXEGTYLFQ-UHFFFAOYSA-N	408.910	5.765	30	20	HKED	
N#Cc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1C#N	460111630	RYDOTPIFBRBKFR-DTQAZKPQSA-N	416.440	5.310	30	20	HKED	
N#Cc1cccnc1-n1cc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)cn1	461413886	QFZLERVPMWSCBQ-UHFFFAOYSA-N	409.371	5.030	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1	464893189	IXFKFNMBXIFEFG-IERDGZPVSA-N	404.466	5.245	30	20	HKED	
C=CCCCN(C)C(=O)N[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC	466365890	AVWQFXFVEZTPAO-NRFANRHFSA-N	402.922	5.054	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)cc1	466425289	JJEZTGYUXSUPSI-UHFFFAOYSA-N	420.472	5.677	30	20	HKED	
CSc1ccc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	466572625	KIHXJEUWAFZMCL-SFHVURJKSA-N	418.566	5.294	30	20	HKED	
C[C@H]1[C@H](C)CCC[C@H]1n1c(SCCCSCC#N)nc2ccccc2c1=O	466622352	CLIKTLBJXSXGCX-JTDSTZFVSA-N	401.601	5.133	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cc1	467113341	UITHIKBYFXEONQ-UHFFFAOYSA-N	424.888	5.015	30	20	HKED	
Cc1cccnc1[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1	467388911	IVRQCTCLDRXFAG-NHCUHLMSSA-N	402.542	5.111	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C	469691638	RKYVOCHLRZVXQI-HNNXBMFYSA-N	406.511	5.224	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	470627374	PSDLZQDPRPPTEB-SJCJKPOMSA-N	408.807	5.417	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	472742725	AAMBBGXSWBLEKO-FPOVZHCZSA-N	422.598	5.067	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1OCC	474434945	UNFJZIKHSGYZPI-CQSZACIVSA-N	406.935	5.597	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)n1	474445158	KRFGTGAYCINEKH-HNNXBMFYSA-N	400.425	5.841	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)cc1F	475903586	XEMYAKBESBXHEI-UQBPGWFLSA-N	419.475	5.385	30	20	HKED	
C=CCn1c(SCCC[C@@H](C)O)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	475956463	KIICGGAXDAYWIR-CYBMUJFWSA-N	418.559	5.012	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1	477555096	BWFBTOGRBZCQER-MRXNPFEDSA-N	408.468	5.332	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	482509019	TWYFNNSMNLFSQN-SFHVURJKSA-N	416.496	5.741	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1	482960894	IJCKIHMNLZMZSX-GCJKJVERSA-N	423.513	5.074	30	20	HKED	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	487086316	QKLLGFBKPBLBGA-UHFFFAOYSA-N	410.502	5.660	30	20	HKED	
C=CCSc1ccccc1NC(=O)CNc1cc(NC(=O)C(C)(C)C)ccc1C	487402219	WYEAWCFDVYBHJC-UHFFFAOYSA-N	411.571	5.308	30	20	HKED	
C[C@H](SCc1ccc(F)cc1C#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	488492612	LZYOKGLRQBCZFI-JTQLQIEISA-N	416.827	5.630	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccs3)n2Cc2ccco2)cc1	489419497	BGILPTMXIYFTER-GOSISDBHSA-N	406.536	5.183	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(C)cc1	489611318	AJRFLKYKPXJDBG-CQSZACIVSA-N	409.540	5.404	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C/C(C)=C\c2ccccc2)cc1	494575463	CROBBKVEUMKRIR-ZZEZOPTASA-N	403.526	5.068	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccc(Cl)c2)nnc1[C@@H]1COc2ccccc2O1	497670255	DVEJAFRHYVDQDS-KUHUBIRLSA-N	413.930	5.483	30	20	HKED	
Cc1csc(Sc2c(Cl)cccc2NC(=O)COc2ccccc2C#N)n1	499246819	CVNDGDHPTDNSTO-UHFFFAOYSA-N	415.927	5.145	30	20	HKED	
CC(=O)Nc1cc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1C	503225468	LVTPLMVWHIAXHY-UHFFFAOYSA-N	400.438	5.261	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)CC2)cc1	503497919	SVNFRKAPABQZFU-UHFFFAOYSA-N	405.473	5.340	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCC(C)(C#N)CC3)c2c1C	507842557	XYLLUVQUDPQJCS-UHFFFAOYSA-N	422.579	5.225	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	509896028	CGNXGYANDJLAOF-QGZVFWFLSA-N	424.957	5.683	30	20	HKED	
Cc1cccc([C@@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)C(F)(F)F)c1	510465772	WCDSDVAZIDQWPG-FOIQADDNSA-N	421.488	5.221	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(C)o2)nc2sc(-c3ccccc3)c(C)c2c1=O	513277254	WQJHZVBBNMDTNA-ZDUSSCGKSA-N	424.551	5.164	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)n1Cc1ccccn1	514216838	YMDMPCLICFKLTR-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C=CCN(C(=O)c1cnc(-c2ccccc2F)s1)c1nc(-c2ccccc2)cs1	516334531	WKMIUBGXNVQJQX-UHFFFAOYSA-N	421.522	5.906	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)N1CCc2ccccc2C1	516380979	SLHOOVUAJVEODW-LJQANCHMSA-N	411.505	5.044	30	20	HKED	
N#Cc1c(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)sc2c1CCCCC2	517656708	SEYPPRMAOHSWQK-UHFFFAOYSA-N	419.337	5.024	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCCCC1	518256296	VBQHCGBZLADQGK-LJQANCHMSA-N	422.598	5.388	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1cccc(C(F)(F)F)c1	518320675	UCLFMEVTUHZURJ-INIZCTEOSA-N	404.775	5.613	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1SCCC#N	519405537	IAATXEFQPHDFOR-UHFFFAOYSA-N	401.557	5.299	30	20	HKED	
COc1ccc(CC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1	520941018	BJRDCABSKCDIGW-SFHVURJKSA-N	423.582	5.576	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2cccc(Br)c2)CC1	521735048	WQLSGENESLZVOR-AWEZNQCLSA-N	415.356	5.371	30	20	HKED	
CN(C(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)cc1)c1ccccc1	534594072	POGYKSPQGKABGN-UHFFFAOYSA-N	415.518	5.221	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccccc2)n1)[C@@H](C)c1ccc(C#N)cc1	535977907	LPESALAOJRXIDM-KRWDZBQOSA-N	404.539	5.282	30	20	HKED	
C=CCC[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc(C(F)(F)F)cc1	538230889	PSYZDGZEGLKHLR-KRWDZBQOSA-N	407.461	5.264	30	20	HKED	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	544480777	AVYFMBAKCSIDGO-OPAMFIHVSA-N	401.441	5.108	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1	548959362	NWEIKMBIRHYDFG-AWEZNQCLSA-N	418.415	5.080	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2Cl)c1	551129312	IHQOBZSNAZGPHQ-UHFFFAOYSA-N	405.816	5.054	30	20	HKED	
COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	553070895	CJPHUNRQENYCDZ-IEBWSBKVSA-N	409.555	5.186	30	20	HKED	
CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1	555018752	WRKUXSFXXFVKDV-UHFFFAOYSA-N	422.536	5.310	30	20	HKED	
C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1	555268449	GQMKUNPFWSXYAM-KRWDZBQOSA-N	409.509	5.176	30	20	HKED	
C[C@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)OCCc2sccc21	564412645	JZERLYVEPLQJJH-HSZRJFAPSA-N	419.506	5.022	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4cccc(F)c4F)CC3)o2)cc1	565456234	PUTMEBJGMZSZMX-UHFFFAOYSA-N	422.431	5.028	30	20	HKED	
Cc1cc(C(=O)N(C)CCOCc2ccc(C#N)cc2)sc1-c1ccc(F)cc1	565680129	HTFDNYCQGHJPKH-UHFFFAOYSA-N	408.498	5.023	30	20	HKED	
COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	577632121	SLZQFKREWGVJCG-UHFFFAOYSA-N	424.460	5.310	30	20	HKED	
CCCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1cccc(C)c1	580032818	WVLDEIPHKGXCGX-NRFANRHFSA-N	401.514	5.300	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	582994660	MCYQSXRATYARJI-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc12	584743465	LROBRGRCNIJPLL-QGZVFWFLSA-N	407.473	5.279	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2SCc2csc(C)n2)cc1	589078387	IUKZLPBPFODHCR-HXUWFJFHSA-N	407.564	5.301	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1	589800774	UYGWPFMGWMAXAL-CQSZACIVSA-N	421.324	5.106	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	592974656	WODXJTWSFOULTL-ZDUSSCGKSA-N	411.845	5.542	30	20	HKED	
Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccc(OCCCC#N)c2)c1Cl	603982500	CIAMVQYZEVSTBJ-UHFFFAOYSA-N	413.326	5.094	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	603991638	FJMZJOFDGIBRKX-UHFFFAOYSA-N	402.519	5.563	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OCC(C)C	604241760	LXPNPVAOVVMELD-UHFFFAOYSA-N	417.465	5.041	30	20	HKED	
C=CCn1c(SCC(=O)c2cccc(OC(F)F)c2)nnc1-c1cccc(C)c1	606151284	IVUGQOSQOBUQGR-UHFFFAOYSA-N	415.465	5.016	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(-c2nc(C)no2)ccc1C	606769364	NZPAQYULYDFPIR-UHFFFAOYSA-N	417.387	5.189	30	20	HKED	
O=C(Nc1ccc(F)cc1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F	608762813	MJUFSYATISUACK-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)o1	609173274	NQLROTVKVHKYFW-DQMJNTIXSA-N	414.505	5.296	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3OCc3ccncc3)c2)cc1	609177067	HSSUCPRNRCIKHI-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208675	AASPBMOQSXQVHO-UHFFFAOYSA-N	423.419	5.616	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(NC(=O)NC3CCN(CC#N)CC3)c(Cl)c2)cc1	609339335	GQSMXQVKFUBFAI-UHFFFAOYSA-N	424.976	5.414	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1cc(Cl)ccc1F	609432516	VUJVXYIYOOQEPK-AWEZNQCLSA-N	409.848	5.582	30	20	HKED	
CC(C)CN(CCc1ccc(F)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	609436332	IYIMXZTXSZTKBC-SFHVURJKSA-N	413.562	5.953	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CSc3ccccc32)cc1	609795810	DJKJAOZUTKPALV-FQEVSTJZSA-N	402.544	5.427	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c(Cl)c1	611092604	CBCCFCJTDPNGMP-UHFFFAOYSA-N	413.289	5.494	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2c(F)cccc12	613318777	FHNIMDBRZYSXSI-HNNXBMFYSA-N	410.857	6.147	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	614931067	FIEGMRPBYNZMQP-UHFFFAOYSA-N	409.383	5.129	30	20	HKED	
CCn1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	616762369	DULVGMUMMOMAES-OAQYLSRUSA-N	406.917	5.481	30	20	HKED	
CCC(CC)n1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1	676241700	GLWXTZBJEKSXOU-CYBMUJFWSA-N	406.433	5.363	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	679238743	RJNUTHOKKOCJES-HNNXBMFYSA-N	405.429	5.435	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)c1	726733421	YAKKZYFSOGVOAG-SFHVURJKSA-N	424.909	5.347	30	20	HKED	
COC(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	728464090	HGBAVICAVUPUHN-FQEVSTJZSA-N	419.868	5.426	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1	728481564	LUMBCYIAMRBMHC-UHFFFAOYSA-N	419.531	5.143	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	728765703	OSOUKWQTKBOJQJ-IUODEOHRSA-N	418.440	5.694	30	20	HKED	
Cc1cc(COc2ccc(/C=C/C(=O)c3c(C)nn(C(C)C)c3C)cc2)oc1C(=O)O	729937384	QFMROEPZZIGBFF-DHZHZOJOSA-N	422.481	5.156	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc2ccccc12)c1nc2cc(F)ccc2s1	730417479	NNKPMGCCPATYKG-GOSISDBHSA-N	404.466	5.624	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)OCc1ccc(OCC#N)cc1)c1ccccc1	733491348	HOOBIMUUKCUCKL-DEOSSOPVSA-N	401.462	5.015	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	733843064	JTTOOHIZVAJMAS-NOZRDPDXSA-N	424.504	5.345	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1	734205288	GGSKELUJCRWESY-CLJLJLNGSA-N	424.548	5.128	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccncc1	734655184	KTLWCAAKAQGIQC-VWNXMTODSA-N	417.578	5.728	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(Cc2c(F)cccc2Cl)o1	735233345	SCIUQTDSRDYOIS-UHFFFAOYSA-N	424.284	5.301	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CCC2	740483945	FPNNZKMZMHKRAK-LJQANCHMSA-N	422.579	5.271	30	20	HKED	
O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1	741447494	MFEZZCQRQORTBF-KAMYIIQDSA-N	408.441	5.318	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCSCC2)cc1	741576758	OHRDXTIKBKICGF-UHFFFAOYSA-N	422.472	5.076	30	20	HKED	
Cc1cc(O)c(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1C	741756691	GZRYJAAAMSMTOV-UHFFFAOYSA-N	423.925	5.291	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cnc(-c4ccccc4)[nH]3)s2)cc1	742435574	YNOWCIAVPPOEES-RAXLEYEMSA-N	401.491	5.413	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccccc3C(F)(F)F)n2)cc1	744036358	ZUXRFEYAMPBPQA-RHSMWYFYSA-N	414.452	6.117	30	20	HKED	
Cc1cc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)sc1-c1ccc(F)cc1	744920673	LYKOOHIPIYEBIV-UHFFFAOYSA-N	419.437	5.141	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccc2ccccc2n1	744936613	UVYRODUNJKNDSN-OFVILXPXSA-N	412.876	5.885	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCCSc2ccc(Br)cc2)n1	747198318	FOYKKPKIXQTMOC-OAHLLOKOSA-N	423.401	5.778	30	20	HKED	
Cc1ccsc1/C=C1/CN(Cc2ccccn2)C/C(=C\c2sccc2C)C1=O	747316727	APAZYUSWMBHNKO-VHVWWYSBSA-N	406.576	5.373	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)cc1Cn1cccn1	749895111	YNTHCVLOPRLXDB-PLNGDYQASA-N	407.520	5.021	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3nc(-c4ccco4)oc3C)n2)cc1	750393969	CAMGAVZSTYUGLL-INIZCTEOSA-N	403.463	5.094	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1C#N	752293972	CALGGIRKQZGVLR-AWEZNQCLSA-N	406.442	5.064	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1F	756982130	BZWGLEHVNFPWTI-UHFFFAOYSA-N	424.419	5.695	30	20	HKED	
C#CC[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1	757622746	LLBCBIVEILECID-GOSISDBHSA-N	408.910	5.148	30	20	HKED	
COc1ccc2c(c1)OC[C@@H]2CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	760969651	PLINAQSZWYOADR-KSSFIOAISA-N	424.909	5.215	30	20	HKED	
CCCc1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cnn1-c1ccccc1C	761557626	KAZMXPCXEWKKRT-UHFFFAOYSA-N	409.946	5.467	30	20	HKED	
FC(F)(F)c1cccc(C2CCC(=NNc3nc(-c4ccncc4)no3)CC2)c1	761803154	CJIZEKNWQKGALU-UHFFFAOYSA-N	401.392	5.276	30	20	HKED	
C(=NOCc1nc(-c2ccccc2)cs1)c1cccc(OCc2ccncc2)c1	766688152	ATADTDDSNJHWJK-UHFFFAOYSA-N	401.491	5.335	30	20	HKED	
CC(=O)N(c1nc(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)cs1)c1ccc(F)cc1F	766694845	GQZOZSHUIVCLIC-CCOVPTLTSA-N	424.472	5.798	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12	767861456	XNCKJHVTTFJGEN-UHFFFAOYSA-N	418.497	5.544	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccc(Cl)s2)n1	774319702	HXHVMQBBQSGLCH-NSHDSACASA-N	410.854	5.095	30	20	HKED	
N#C[C@H]1C(CN[C@H](CC2CCCC2)c2ccccc2)=CC(=O)n2c1nc1ccccc12	775550689	LGKJAWZBQWVWHI-JTHBVZDNSA-N	410.521	5.135	30	20	HKED	
C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccccc1-c1ccccc1	777173126	ZBDVKXXZPPFESJ-SFHVURJKSA-N	410.473	5.093	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1	779103551	DFQSQUBWDXIYEP-XUZZJYLKSA-N	422.475	5.848	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1cnc(-c2ccc(Br)cc2)s1	779993112	LVBXLAYJVKGFPO-CYBMUJFWSA-N	414.328	5.476	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1	780674980	KWMVRCUINNCQJR-GJZGRUSLSA-N	417.431	5.754	30	20	HKED	
C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(NC(=O)c2ccccc2)cc1	781461679	BUNHPDTZVVQTNX-GOSISDBHSA-N	410.473	5.147	30	20	HKED	
COc1ccc(-c2cc3[nH]c(/C(Cl)=C\c4ccc(C#N)cc4)nc(=O)c3s2)cc1	797247912	UCBJPJMQFOWUNL-LICLKQGHSA-N	419.893	5.269	30	20	HKED	
C=CC[C@H](OC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(Cl)c(Cl)c1	797553261	FVRIECFAHDHLSO-KRWDZBQOSA-N	418.280	5.232	30	20	HKED	
Cc1ccc(C(=O)N(CC(F)F)c2c(C)cc(Br)cc2C)cc1C#N	799364779	MPIOSJPSIKKAJS-UHFFFAOYSA-N	407.258	5.158	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	806200267	BTMIFIBOSKCNCJ-ZEQRLZLVSA-N	413.521	5.966	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	808980450	ZXEMEEOHBDRSAC-CYBMUJFWSA-N	407.804	5.367	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccc(F)c(Br)c1	813058577	ZYIQDKDRHBCSSL-CJNGLKHVSA-N	411.274	5.506	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2cccc(C(F)(F)F)c2)no1	904312310	VNFDCQPAFKUDMF-CQSZACIVSA-N	410.396	5.015	30	20	HKED	
CC(C)c1ccc(Nc2nn(CN(CCC#N)Cc3cccnc3)c(=S)s2)cc1	915794882	SQNNJDKNSRQZDO-UHFFFAOYSA-N	424.599	5.309	30	20	HKED	
CCOc1cc(C=Nn2c(C)nnc2C)ccc1OCc1c(Cl)cccc1Cl	916350311	GXFCKCWLXPKXNA-UHFFFAOYSA-N	419.312	5.062	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNc1cccc(OCCCC#N)c1	916844278	YYSBNCUXSMZBCP-UHFFFAOYSA-N	415.324	5.782	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2nccc3sccc23)cs1	917544526	ALPZPFMDBWSHNE-UHFFFAOYSA-N	411.487	5.023	30	20	HKED	
N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1	917844662	ZXVLYUOWWPOPKT-UHFFFAOYSA-N	403.381	5.012	30	20	HKED	
C=CCc1cc(OCC)cc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1O	919943577	MWGFYBGFMWADCY-GASCZTMLSA-N	411.386	5.082	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(Cl)cc3)n2)cc1	920141211	HTNOVXAAJYZJCF-GOSISDBHSA-N	423.950	5.445	30	20	HKED	
C[C@H](S)C(=O)NC1(c2ccc(NC(=O)CC3CCC(C)(C)CC3)cc2)CCC1	1790570466	IAYUTNUSLJHAKU-INIZCTEOSA-N	402.604	5.045	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccccn3)cc2)CCC1	1791939203	RJIZTBKUQAZAEH-IBGZPJMESA-N	417.553	5.088	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CC3(OC)CCC3)cc2)CCC1	1792049574	OUYLNTXCLWFURD-UHFFFAOYSA-N	412.574	5.072	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccccc2CC)cc1	10174228	NNTAJVUCJXQAGQ-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)o1	49723985	ICWPQOBPTORCJF-UHFFFAOYSA-N	416.462	5.331	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1OCC	60488255	NCXZGKKPDABLLO-CQSZACIVSA-N	414.914	5.627	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(OC(F)F)c2)cc1	65141100	IMLKZWXMVVVMHZ-UHFFFAOYSA-N	424.472	5.382	30	20	HKED	
O=C(/C=C\c1ccc(-c2nc3ccccc3s2)o1)c1cccc(N2CCOC2=O)c1	214908862	HCWFHYQTVXONOJ-NTMALXAHSA-N	416.458	5.409	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(Cl)cc1	303172691	JMEXSEGZWDBPRX-UHFFFAOYSA-N	406.869	5.117	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	303486524	REKIBERHTJDWQQ-IEBWSBKVSA-N	412.967	6.211	30	20	HKED	
C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	430656513	TWYSYJKTXBNEQR-JKSUJKDBSA-N	401.491	5.275	30	20	HKED	
N#CCCC[C@H](NCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	433015452	KLOKDEHHYDVHBP-SFHVURJKSA-N	401.297	5.568	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)c1oc2ccccc2c1CSc1cccs1	433983782	MUWZKPZQJBJZRC-UHFFFAOYSA-N	408.479	6.050	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(C2CC2)nn1-c1ccccc1	436158223	SPYANMNZLQVRBE-GMAHTHKFSA-N	411.509	5.053	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2)c1	437486938	XMXVTBNHVSHMHE-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	438627229	LWBZPVHAMOANEB-CYBMUJFWSA-N	423.460	5.198	30	20	HKED	
COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)cc1	438630396	HDRXVQODEBONAP-MRXNPFEDSA-N	417.431	5.072	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1F	438661992	VGJSJTVDPRHNPU-UHFFFAOYSA-N	414.440	5.335	30	20	HKED	
N#CCC[C@H](NC(=O)NCc1ccccc1COCc1ccccc1)c1ccccc1	438845583	CCHPBWGTSGCPQI-VWLOTQADSA-N	413.521	5.248	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	439348687	ANGFVFWDRPLTOQ-LUGPXAIHSA-N	419.525	5.144	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@H](CCC#N)c1ccccc1	439668805	BWBMVYZBZIAUDD-HNAYVOBHSA-N	409.942	5.530	30	20	HKED	
CCCc1c(NC(=O)c2cc(F)c(Cl)cc2Cl)cnn1-c1cccc(C#N)c1	440096268	GPVMYQSBUZBZDY-UHFFFAOYSA-N	417.271	5.395	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C	440427621	OBKXBJSVYORUQS-UHFFFAOYSA-N	411.324	5.175	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1N[C@@H]1CCO[C@@H](c2ccccc2)C1	440681630	UGVVQFAEXNZWFS-VQIMIIECSA-N	408.299	5.201	30	20	HKED	
Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	444390151	SQQLDSNOTDOSED-IRXDYDNUSA-N	419.554	5.315	30	20	HKED	
CCC[C@]1(CO)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	444843241	AEOCZQIQSZOHNU-NZQKXSOJSA-N	411.933	5.154	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)CC2CCC(C(F)(F)F)CC2)c1C#N	445570773	ITSCDHKZXAVMGS-UHFFFAOYSA-N	422.476	5.163	30	20	HKED	
Cc1nc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)sc1SCC#N	446144470	LZACAVRFJUJGMT-UHFFFAOYSA-N	420.368	5.037	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1cccc(F)c1	461263914	KMJCELLNYWJMBW-QGZVFWFLSA-N	420.509	5.187	30	20	HKED	
CC(C)N(Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1)C[C@H]1CCCCO1	462607241	SQYUIWOYEMFNJW-CJFMBICVSA-N	419.569	5.080	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cc(F)ccc1F	463753943	ZCYZABDUGHWXOV-UHFFFAOYSA-N	400.372	5.171	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	464212014	RQRXLXYWDAWXNU-ZHRRBRCNSA-N	401.441	5.108	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)cc1	464957188	XFGVPTVHCUDQDD-RPBOFIJWSA-N	407.473	5.263	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1	464980210	KBEWRMHRJLBKSJ-UHFFFAOYSA-N	411.461	5.186	30	20	HKED	
N#CCCCOc1cccnc1NCc1cccc(NC(=O)c2ccccc2Cl)c1	466616685	FHBRSFHDPPYXTF-UHFFFAOYSA-N	420.900	5.282	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)n1	466730284	ZUDWRMKTIJNAHH-VIFPVBQESA-N	406.298	5.175	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCCc3sccc32)cc1	468731072	YXPDUNSMNUHXMA-HXUWFJFHSA-N	404.560	5.719	30	20	HKED	
C[C@@H](CN(C)C(=O)c1ccc(C2(C#N)CC2)cc1)Oc1ccc(Cl)c(Cl)c1	469526980	IURWJVCITRRSBZ-AWEZNQCLSA-N	403.309	5.088	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccccc2O[C@H]2CCOC2)cc1	470776345	HCIMSHQCGQJSMZ-IBGZPJMESA-N	416.502	5.129	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccn(C4CCCCC4)n3)cc2)c1	470904133	RALLRKMKAZEDAI-UHFFFAOYSA-N	400.482	5.091	30	20	HKED	
C=CCNc1nnc(S[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)s1	471201776	BFBACNHFDZRCED-QMMMGPOBSA-N	414.343	5.346	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3nnc(-c4cccc(Cl)c4)o3)c2)cc1	471665713	DGDWEXSHIDBVNX-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
C=CCn1c(SCc2cccc(C(F)F)c2)nnc1[C@H]1COc2ccccc2O1	475956048	ILKJGFXHRCVZHG-GOSISDBHSA-N	415.465	5.207	30	20	HKED	
CN(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1	478075093	AQVUTESTJJIQQJ-AWEZNQCLSA-N	417.321	5.068	30	20	HKED	
COc1ccc(CS[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1Cl	478604919	BCCWOTKDNNZFAB-LLVKDONJSA-N	406.960	5.031	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)Nc2cccc(OCCCC#N)c2)c1C(C)C	478837972	KUGQUGUEVNHJTQ-UHFFFAOYSA-N	402.498	5.239	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OCC2CCOCC2)cc1	481212450	DJDWTAHAOKQBBE-UHFFFAOYSA-N	420.962	5.427	30	20	HKED	
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	487193662	BCNXXSADDUHHPK-AWEZNQCLSA-N	424.551	5.028	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1	487453722	GDUZEWYQAHQGIB-IBGZPJMESA-N	413.308	5.344	30	20	HKED	
C[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1	487604283	OZCLMJQFGMNKJA-NBGIEHNGSA-N	410.517	5.572	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4ccc(OC)cc4c3)n2)cc1	497359319	ATRRAJWIXLMIHZ-OAQYLSRUSA-N	414.486	5.471	30	20	HKED	
Cc1ccc2snc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1	497442802	MPVOLQFURBOOQB-LBPRGKRZSA-N	411.458	5.497	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1ccc(F)cc1F	498749883	QEBDZONJVNWYTO-ZDUSSCGKSA-N	405.445	5.314	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)nc1	505465069	QTVMXXXAMUYVSS-UHFFFAOYSA-N	411.939	5.489	30	20	HKED	
COc1cccc(Oc2ncccc2CNC2CCC(C#N)(c3ccccc3)CC2)c1	507648064	FCESXFGNQZMFFS-UHFFFAOYSA-N	413.521	5.376	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)c(C)c2)n1	508507969	FVHAKUXIQMZSQN-OAHLLOKOSA-N	409.536	5.189	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1CCCN(C2CCC2)C1	511302910	BEKKAIGGEMJJJD-NQIIRXRSSA-N	419.594	5.092	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)sc1-c1ccc(F)cc1	512958736	NIGVZBCLCYONPC-KRWDZBQOSA-N	419.506	5.871	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C)cc3OC(F)F)n2)cc1	512970149	OJYPJOMJSNIIBT-ZDUSSCGKSA-N	420.462	5.280	30	20	HKED	
CC(C)OCc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1	513469436	PGUWVWOLLRUDHF-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1nc(-c2ccccc2)cs1	513616532	CQZOGUZUZHOMJF-NRFANRHFSA-N	423.497	5.552	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513956624	GHUHFZIBXIRSPV-UHFFFAOYSA-N	407.876	5.894	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)o1	514536989	OLLHPNWLKILPMU-UHFFFAOYSA-N	413.246	5.208	30	20	HKED	
Cc1ccccc1CNC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	518667719	KCSGXATZIMCTBP-OAHLLOKOSA-N	421.488	5.136	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)N1CCc2sccc2C1	518740434	DBLAERQAWFHBTJ-QGZVFWFLSA-N	417.534	5.106	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC	519032009	FJJINONDFGUVPR-UHFFFAOYSA-N	400.434	5.176	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(Cl)s1)c1ccc(OCc2ccccc2)cc1	519129404	WNHPLLOBXDEMOX-HXUWFJFHSA-N	410.926	5.294	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	523099305	PPCUOJQTJIRWTH-UYAOXDASSA-N	400.478	5.057	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N	523501773	QETASIAVFJWMRS-CQSZACIVSA-N	420.456	5.774	30	20	HKED	
COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1C	531080403	DGMYVSYJIIKATP-GOSISDBHSA-N	414.303	5.007	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)c1C	531842334	KDDAZJVBXZZONK-DEOSSOPVSA-N	421.541	5.130	30	20	HKED	
Cc1cnc(CCN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1	533655474	RIWRXRHPAPMSKB-UHFFFAOYSA-N	411.914	5.084	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	534771531	GPNOMPGFHUIYJQ-GCJKJVERSA-N	407.583	6.431	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)c1ccc(OC(F)(F)F)cc1	535375456	HJRBLJMMJNLXNG-SFHVURJKSA-N	424.806	5.165	30	20	HKED	
CC[C@H](C)n1nc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C	538677818	FDSJWBFYPZVEPB-KRWDZBQOSA-N	402.498	5.060	30	20	HKED	
C=CCCOCCCCC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1	540498116	PLEITNSJKMZWJZ-KRWDZBQOSA-N	406.954	5.056	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	543302170	BQZMTMMKRCHRRV-UHFFFAOYSA-N	411.505	5.642	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1	552239601	AYSWBNXCFVVNOA-UHFFFAOYSA-N	424.932	5.413	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CSC3CCCC3)c2)cc1	564505833	QEQMXUXCMYBYDS-UHFFFAOYSA-N	424.570	5.814	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCc3occc3C2)cc1Cl	588992969	RNNGNZCVBZAGEM-HXUWFJFHSA-N	405.885	5.569	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CC1(C#N)CC1	590140225	IEMAKECYJZRYSF-QAPCUYQASA-N	403.913	5.550	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1	603738956	MMLAGWBWBNVEIH-YWZLYKJASA-N	401.466	5.342	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cn2)cc1	603763457	AJFNFZUNABKWKI-UHFFFAOYSA-N	416.440	5.537	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)NCCSCc3ccccc3C#N)c2)n1	608841450	PYFHEFJFTMWOEE-UHFFFAOYSA-N	408.552	5.045	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1sc2c(c1C#N)CCCCCC2	608871168	RRHBNHPTLRMRMB-UHFFFAOYSA-N	411.552	5.485	30	20	HKED	
COc1cccc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)oc12	609104796	OVEYWNGXAFROSH-UHFFFAOYSA-N	416.408	5.283	30	20	HKED	
COc1cc([C@H](C)NC(=O)c2cc3ccccc3n2CC#N)ccc1OCCC(C)C	609165492	KGGMBRLIWQLEFP-SFHVURJKSA-N	419.525	5.089	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)c2)cc1	609208637	BAIJQEKIJUUCSS-UHFFFAOYSA-N	423.472	6.178	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(OC(F)(F)F)cc2)c1	609432646	CPDBBBFBYGLQIW-UHFFFAOYSA-N	412.411	5.326	30	20	HKED	
N#Cc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CCC3)nc1	609504494	JUXOAFYATDEVSN-GHRIWEEISA-N	422.513	5.692	30	20	HKED	
CSCc1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)oc2ccccc12	609627538	BZOXCCCBWGENKD-HNNXBMFYSA-N	405.504	5.304	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1	609744560	QPZNJCXLQJLXOS-SFHVURJKSA-N	409.555	5.465	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC(c1cccs1)c1cccs1	610019054	AGMKYUGJOPCMMM-AWEZNQCLSA-N	413.593	5.972	30	20	HKED	
C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ncc(-c2ccccc2)o1	610067929	AOGWAXSWYFVPNB-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	610174467	ZEGDSLZDSXGJEB-SFTDATJTSA-N	418.443	5.466	30	20	HKED	
COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	610325223	LYZQXYQAHJUKFL-JOCHJYFZSA-N	415.449	5.004	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@@H](C)c1cccc(C#N)c1	611669270	UVGAUIUXKHCYTD-INIZCTEOSA-N	414.347	5.007	30	20	HKED	
C=CCN(C(=O)c1cnn(C)c1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	612379717	UVCAZCWHWYIOFU-UHFFFAOYSA-N	421.353	5.246	30	20	HKED	
O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674430607	HDEPFZLUPGDYEW-KFWWJZLASA-N	412.349	5.049	30	20	HKED	
N#C[C@H](C(=O)c1cnc([C@H]2CCCO2)s1)c1nc2cc(C(F)(F)F)ccc2s1	677710792	UJVWEPUKUBDWAW-ZYHUDNBSSA-N	423.441	5.113	30	20	HKED	
Fc1cccc(Br)c1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	678514387	ANIJIHUVGAMVQR-IUCAKERBSA-N	408.155	5.151	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@H](C#N)c1ccc2ccccc2n1	678572183	GWVAECKETBLOJW-QGZVFWFLSA-N	420.394	5.442	30	20	HKED	
CC(C)(C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F	681225710	JPBFTNMFOBDWEZ-AOOOYVTPSA-N	419.768	5.346	30	20	HKED	
Fc1ccc([C@@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ncc[nH]2)cc1	682131010	OTEPZFPLWKRZRT-PAPYEOQZSA-N	409.349	5.137	30	20	HKED	
COc1cc2c(cc1NC(=S)Nc1ccc(C#N)c(Cl)c1)oc1ccccc12	726436352	OYHMIISIBIFJJJ-UHFFFAOYSA-N	407.882	5.929	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ccc(S(C)(=O)=O)cc1	727654583	NTZJNTPUFSQWCT-XGICHPGQSA-N	417.939	5.072	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2cc3sc4ccccc4c3s2)c1OC	729429666	OLTRKUFFERTEJT-AWEZNQCLSA-N	408.504	5.128	30	20	HKED	
O=C1/C(=C/c2cccc(O)c2)CCc2nc(-c3ccccc3Br)sc21	730436177	NDBVTANBJBHXMR-JLHYYAGUSA-N	412.308	5.491	30	20	HKED	
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	730528192	XOXZDSJALDQFQQ-FGZHOGPDSA-N	419.525	5.070	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(F)cc1F	730955067	SZHATRMCDSCFLG-UHFFFAOYSA-N	417.428	5.798	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C	731069755	PVZWEUVWRYLMPK-YXBWYFRISA-N	422.550	5.201	30	20	HKED	
CCCCCCCCCNC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1	734213116	JEJQHCYJBNOJLO-UHFFFAOYSA-N	412.496	5.459	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1occc1CSc1ccccc1	735338880	BUHLYERLKJOVRE-UHFFFAOYSA-N	413.882	5.485	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	739156814	QVXCBSNMICUXNC-DOMZBBRYSA-N	421.369	5.505	30	20	HKED	
COC(=O)[C@H](Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1)c1ccc(C#N)cc1	739991325	WJNISYKLRZHBDY-HSZRJFAPSA-N	420.440	5.133	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccnc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	741113697	QENJUFUJUHQEJZ-FDMDGMSGSA-N	417.440	5.526	30	20	HKED	
O=C(/C=C/c1ccc2ccccc2c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741852065	IWDKHQUUGSJIDQ-WUXMJOGZSA-N	404.409	5.072	30	20	HKED	
C#CC[C@H](OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccccn1	744101210	SWDMPXIMEUWXJR-KRWDZBQOSA-N	413.260	5.497	30	20	HKED	
CC(C)c1ccc(C2(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)CCCC2)cc1	744983165	AENFZKMRTIVCAX-UHFFFAOYSA-N	415.493	5.287	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	747108911	MSDLDQHDMULPEY-HNNXBMFYSA-N	405.306	5.827	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1OC	748097757	QTHLDNPDBUPZTJ-CQSZACIVSA-N	415.877	5.217	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	752806102	MMAMEUIVLKHDIH-ZBFHGGJFSA-N	403.404	5.018	30	20	HKED	
N#CC1CCC(COC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC1	755958123	VUFHNBXSWHJOIP-UHFFFAOYSA-N	406.269	5.062	30	20	HKED	
C[C@H](ON=C(N)c1ccc(Cl)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1	757612375	GHBYDCCSILNUTQ-VIFPVBQESA-N	411.676	5.095	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl)c1ccncc1	760171559	UDAMPDFQGHQQLW-RTBURBONSA-N	415.969	5.060	30	20	HKED	
CN(C(=O)c1cccs1)c1ccccc1C(=O)OCc1ccccc1C(C)(C)C#N	767989938	ZZBVOINCPNKLPJ-UHFFFAOYSA-N	418.518	5.183	30	20	HKED	
C[C@H](C(=O)OC[C@H](C#N)Cc1cccs1)c1cccc(C(=O)c2ccccc2)c1	772736139	IPUBFJRFCKVNNA-ROUUACIJSA-N	403.503	5.008	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3cncc4ccccc34)SC2=S)cc1Cl	772802819	WGMVAMQPLCDYDY-WSVATBPTSA-N	407.907	5.166	30	20	HKED	
Cc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1OC(F)F	777879670	MZMKKYPSDCNHJF-UHFFFAOYSA-N	408.861	5.016	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1	780510051	DZEYYLSSQWGCFE-KRWDZBQOSA-N	420.513	5.026	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2ccc(Br)c(Br)c2)c(F)c1	781110528	GSDKCSLDGZYNSG-ZZXKWVIFSA-N	409.052	5.118	30	20	HKED	
N#Cc1ccc(COC(=O)COc2ccc(C3SCCCS3)cc2)c(Cl)c1	784199811	PTFJNSSJBMMJDS-UHFFFAOYSA-N	419.955	5.203	30	20	HKED	
CCC(=NNc1nnc(-c2ccccn2)s1)c1ccc(Br)cc1Cl	788027598	NMNQMIWBGQJSMD-UHFFFAOYSA-N	422.739	5.242	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccn2)nc2ccccc12	791128999	UMXCAPWWHOEYBI-UHFFFAOYSA-N	406.489	5.219	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3cccc(Cl)c3)CC2)c1	792942854	ZZTLRMHSHMWNFH-NRFANRHFSA-N	411.933	5.110	30	20	HKED	
COc1ccc(-c2nc(S[C@@H]3CCc4cc(Cl)ccc43)nc(O)c2C#N)cc1	795202948	HULOMLVPRZLXMF-GOSISDBHSA-N	409.898	5.162	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1	798819813	KNOMZDVCUWJLIH-LRDDRELGSA-N	401.413	5.204	30	20	HKED	
N#Cc1nc(N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)ccc1C(F)(F)F	799959959	CTZGTECHUDKGAE-UHFFFAOYSA-N	423.438	5.127	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)OC3(CC#N)CCC3)c12	810856999	JDWZBTPAGSBZBN-UHFFFAOYSA-N	415.371	5.210	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(OC(F)F)c3ncccc23)c1	864006891	OQELUQYUMKNORY-UHFFFAOYSA-N	404.214	5.082	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3cc(Br)cs3)no2)c1C#N	904395065	PGWYFOLSWIGLSC-UHFFFAOYSA-N	419.329	5.094	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc(F)c(Cl)c1)c1nc(-c2ccccc2)cs1	913202790	BXCHVQVGMPNBLG-AWEZNQCLSA-N	402.903	5.571	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)n1-c1nccs1	915200301	YBIYLDITAZATLJ-QFIPXVFZSA-N	412.518	5.458	30	20	HKED	
N#CCOc1cccc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c1	916409434	BCJOSJRMEQHGDG-UHFFFAOYSA-N	413.452	5.448	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	918156844	UVPPDVSRZGRIJP-ZRDIBKRKSA-N	419.437	5.281	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1	1831374685	RWJJQHALCNQUHC-NZQKXSOJSA-N	416.650	5.425	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)nnc1-c1ccccc1OC	6076777	VDMADQSUXXUKAL-KRWDZBQOSA-N	407.539	5.120	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2csc(Cc3ccccc3)n2)n1	31652452	AYLYFFVSWIUIOB-UHFFFAOYSA-N	405.470	5.620	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc(-c2ccccc2)cs1	41521954	MHMHCCMQXJAHAT-KRWDZBQOSA-N	401.516	5.347	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1	63400818	JNRPYFFWLSJZJR-MRXNPFEDSA-N	423.469	5.199	30	20	HKED	
CC(C)N(C/C=C/CN(Cc1ccc(C#N)cc1)C(C)C)Cc1ccc(C#N)cc1	63750653	ZXASFTMJIOLYLU-AATRIKPKSA-N	400.570	5.107	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1	96983076	BAZZPUFIRKBWJT-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	303302681	CZOQPBBDGGCVAB-XYPHTWIQSA-N	404.457	5.842	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1Cl	303730517	VCYIFIQBADGBFV-GOSISDBHSA-N	407.861	5.021	30	20	HKED	
C=CCCc1ccccc1NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1	410354340	PKVAKSAOVFYAPM-UHFFFAOYSA-N	412.946	5.079	30	20	HKED	
N#CCCC[C@H](NCc1ncc(-c2ccccc2Br)o1)c1ccccc1	433031051	IATWSMPWUPMBGC-IBGZPJMESA-N	410.315	5.629	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F	433119327	UUHBGPWEBXQWBG-RDJZCZTQSA-N	421.488	5.796	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccccc1	435363540	LBPFMCFONOLRPX-QGZVFWFLSA-N	404.539	5.642	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1F	437496142	PKIDYYBTQYRCLK-FQEVSTJZSA-N	410.495	5.520	30	20	HKED	
Cc1ccccc1-c1nnc(S[C@H](C)c2cccc(C#N)c2)n1Cc1ccco1	442913282	NKXXIJUNRNAHCQ-QGZVFWFLSA-N	400.507	5.620	30	20	HKED	
N#Cc1ccc(CCC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1	460599798	QBDPRMHGVWTHBT-HSZRJFAPSA-N	410.851	5.328	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1	464051495	VFVZTZRMAUYZBU-NRFANRHFSA-N	412.436	5.125	30	20	HKED	
Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)c2ccc(C(C)(C)C#N)cc2)c1	466619146	ODUQOWGCNCSTPK-UHFFFAOYSA-N	403.913	5.692	30	20	HKED	
Cc1ccc(-c2nc(NC(=O)CCCC(=O)Nc3ccccc3C#N)sc2C)s1	467254788	TYGNJKQAOYMSTL-UHFFFAOYSA-N	424.551	5.108	30	20	HKED	
Cc1nc(NC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)sc1SCC#N	468119665	GKLOJPRVAVGSPZ-UHFFFAOYSA-N	413.490	5.293	30	20	HKED	
CO[C@H]1CCOc2c(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cccc21	468697470	SBAZGZGDJAQQIJ-QFIPXVFZSA-N	400.434	5.073	30	20	HKED	
CC(C)(C)C1CCC(C#N)(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)CC1	470192385	ACODXAVSTIHLOJ-UHFFFAOYSA-N	420.513	5.030	30	20	HKED	
Cc1ccccc1-c1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n(C)n1	470195040	RKRZDZAEOWQJNU-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccccc1Sc1ccccc1C#N	470337383	NTAGOUCTWSOXBR-UHFFFAOYSA-N	404.539	5.002	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3ccco3)cc2F)o1	470520022	OZGHZOWQXSRGAZ-UHFFFAOYSA-N	402.381	5.382	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3cccs3)C2)cc1	473178316	ZZAXHSFENIRKFH-FQEVSTJZSA-N	420.559	5.126	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccccc1	474969705	KSPZMLNJQPOJCZ-FQEVSTJZSA-N	414.461	5.020	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1Cn1c(C)nc2ccccc21	475543266	BZIGXIRBYHSSIL-OAQYLSRUSA-N	416.569	5.893	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1	475549543	QHIFRTNJQGLPQB-GOSISDBHSA-N	405.542	5.548	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	476121477	YDNSYMTVAFHWNM-RTBURBONSA-N	403.444	6.179	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(Oc4ccc(Cl)cc4)c3)nc12	480934764	BMBIKWRVNMKIEF-GOSISDBHSA-N	402.841	5.202	30	20	HKED	
N#C[C@H](C(=O)c1sc(C2CC2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1	483461159	ZVBLJOCOFQCPLT-HNNXBMFYSA-N	413.424	5.591	30	20	HKED	
C=C(C)CN(CC)C(=O)c1ccc(-c2ccc(C(=O)N(CC)CC(=C)C)cc2)cc1	483941161	KBLCOLOYQKAFOX-UHFFFAOYSA-N	404.554	5.430	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N[C@@]2(C#N)CC2(C)C)c2nc3ccccc3s2)c1	484921266	UQPJEHQMLXGWDE-JBPJOUFVSA-N	417.534	5.044	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)n1	486242457	WGFSWMBRKKMQIA-AWEZNQCLSA-N	408.552	5.699	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)CCc1ccc(C#N)cc1	499711701	GFASSDBTPDYLGD-UHFFFAOYSA-N	419.500	5.156	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1	500693779	DNECXUOTMSRJQJ-GOSISDBHSA-N	411.506	5.001	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)CCOC2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	503566851	JQEKECWGNQQBTQ-XYUGOERHSA-N	424.591	5.235	30	20	HKED	
N#CCCn1cc(CN(Cc2ccco2)Cc2cccs2)c(-c2ccccc2)n1	505560364	QUWXJFCADPFQEC-UHFFFAOYSA-N	402.523	5.321	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1	505982899	XAUFGSAWDYSTEB-KRWDZBQOSA-N	424.715	5.236	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC1CCC(C#N)CC1	508375457	LHHHZKHEHRLLKP-QQFBHYJXSA-N	417.962	5.063	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cnn1-c1cccc(Cl)c1	513654893	NYQNHJPOTHTQKE-INIZCTEOSA-N	420.925	5.749	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1-c1ccccc1	517455535	PWOSBNUIQFPCEM-GOSISDBHSA-N	401.535	5.656	30	20	HKED	
Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2)cs1	517515014	AYVZLSWLLGIBJT-UHFFFAOYSA-N	400.463	5.363	30	20	HKED	
C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	517783961	DHKZBMJWWQHOQQ-GOSISDBHSA-N	405.527	5.292	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1	518755820	OCLFSEWPRMLFDV-ZDUSSCGKSA-N	408.354	6.052	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CSc1cccs1	520000822	NZZMKXLWRKVYCK-UHFFFAOYSA-N	411.470	5.977	30	20	HKED	
COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)C2	520666548	DPRZAZIPEQGGLK-INIZCTEOSA-N	407.539	5.026	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	520712743	UIKBTPNYXGRTTH-UHFFFAOYSA-N	417.440	5.399	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)cc1	521606305	JABHCJGFLIDOLZ-UHFFFAOYSA-N	407.348	5.217	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccco1)c1ccccc1	532699401	MFOBHQIDXHTIID-SFHVURJKSA-N	405.523	5.177	30	20	HKED	
CC(C)c1ccccc1NC(=O)C[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1	536880043	XNVQEELUJNVVER-KRWDZBQOSA-N	402.460	5.187	30	20	HKED	
C=CCn1c(SCc2sc(C)nc2C(F)(F)F)nnc1-c1ccoc1C	541836153	MRWNBTYSUVFHGN-UHFFFAOYSA-N	400.451	5.109	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542089696	FOZKWIFRDSXZCG-MRXNPFEDSA-N	404.539	5.286	30	20	HKED	
N#Cc1ccc(CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C2CC2)cc1	542296670	SXWRWUGAVADUFX-UHFFFAOYSA-N	411.436	5.166	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)cc1	544222022	CDUVBUIVMPIYLY-UHFFFAOYSA-N	408.461	5.419	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc1OC	552921703	APFUOFOSKJLNTR-UHFFFAOYSA-N	413.477	5.135	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	553105058	WXAIFJNCHOUUAU-RBUKOAKNSA-N	421.463	5.071	30	20	HKED	
C=CCn1c(SCc2cccc(N)c2)nc2sc(-c3ccccc3)c(C)c2c1=O	554342469	DXIBTRACUMBEGY-UHFFFAOYSA-N	419.575	5.494	30	20	HKED	
N#CCCC[C@@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1	556908877	YSPTXDSRYKEGAX-HXUWFJFHSA-N	400.313	5.099	30	20	HKED	
C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	560622019	KDVHXFMOHGAEJW-KRWDZBQOSA-N	409.464	5.145	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(n4ccnc4)CC3)cc2Cl)cc1	562206739	BOVIIHPQWWEGSO-UHFFFAOYSA-N	421.888	5.069	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccs1)c1ccc(C(F)(F)F)cc1	563917989	UPCYYWXRPJKQLZ-YOEHRIQHSA-N	424.488	5.110	30	20	HKED	
CCOc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	565274260	CDMRRPFLYBGYSV-INIZCTEOSA-N	402.454	5.027	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	577912142	MLPXOOZQLOXTAH-UHFFFAOYSA-N	413.974	5.094	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCC1CC1)c1nc2cc(C(F)(F)F)ccc2s1	587988770	OUHPIWRLLPJFOD-HNNXBMFYSA-N	416.424	5.594	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nc2ccccc2o1	592975504	HKRFKULLHOYYLO-AWEZNQCLSA-N	410.401	5.648	30	20	HKED	
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C#N)cc2C(F)(F)F)cc1	602760644	QBKASVFDVPEUBR-NRFANRHFSA-N	423.394	5.357	30	20	HKED	
C[C@@H](OCCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1	603691796	DCXSXXBUWULGFS-GOSISDBHSA-N	416.481	5.035	30	20	HKED	
C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	603920449	WPORBLYVIVEHCX-FQEVSTJZSA-N	421.544	5.281	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc2ccccc2c1	603960220	IWAGWVVPCRIAJL-UHFFFAOYSA-N	407.473	5.779	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	604342909	BYAUPRRAKMXBRY-QGZVFWFLSA-N	401.466	5.133	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Nc3ccccc3)c2)cc1	605299924	SVAMGPZXYOPEHG-UHFFFAOYSA-N	411.505	5.497	30	20	HKED	
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	609222117	UDVOYOZFVPWQSD-QZTJIDSGSA-N	415.493	5.037	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1	609497340	HPKBQJGYGSALAT-AWEZNQCLSA-N	411.383	5.255	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCSc4ccccc43)c2)cc1	610224572	PTGVYMMTTDHUSF-QHCPKHFHSA-N	414.530	5.550	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(C#N)c1	610323863	LYVLGBAOIFJFMO-MRXNPFEDSA-N	414.440	5.031	30	20	HKED	
C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccc(C)s4)csc3n2)c1C	614105482	JWHBHVVNNGCSKI-UHFFFAOYSA-N	423.563	5.464	30	20	HKED	
N#C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc(Cl)cc1	619864078	OUHILPDRDUPWGK-IBGZPJMESA-N	407.882	5.048	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2cccc(F)c2)n1)c1nc(-c2ccc(Cl)cc2)cs1	620058211	DZLJCHCBODHDMB-QGZVFWFLSA-N	422.872	5.278	30	20	HKED	
O=C(NCc1cc(F)c(C(F)(F)F)cc1F)Nc1ccc2c(cnn2C(F)F)c1	672708881	NNGKDBMKEWPXIC-UHFFFAOYSA-N	420.288	5.050	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccc(Cl)cc1	679239049	UQCJPLQBBYCJBF-OAHLLOKOSA-N	410.861	5.073	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c12	679536820	RLPODXVHCLLGLO-SFHVURJKSA-N	424.504	5.727	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1	726465828	MDBAVAQDRDRKJH-UHFFFAOYSA-N	414.317	5.971	30	20	HKED	
Cc1c(C(=O)/C=C\c2cnc(-c3ccccc3)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727266777	FPACVVJMDRPPRN-HJWRWDBZSA-N	409.423	5.139	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1OCc1ccccc1	729685626	DJYBBAJGYDBWCK-IBGZPJMESA-N	402.494	5.027	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	730993911	FTZCSPOLPRNOAG-HNNXBMFYSA-N	424.957	5.397	30	20	HKED	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	731114393	QUAAVXWRLQKKJI-OAHLLOKOSA-N	421.488	6.011	30	20	HKED	
COC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1F	731986164	IPJUOASZEGMYIW-UHFFFAOYSA-N	419.412	5.115	30	20	HKED	
C=CC[C@@H](NC(=O)N(CCOC)[C@H](C)c1cccc(C(F)(F)F)c1)c1ccncc1	734679988	LPAATIBZAIGEMH-OXQOHEQNSA-N	421.463	5.137	30	20	HKED	
Cc1sc2ncn(N=Cc3cccc4c3OC(C)(C)C4)c(=O)c2c1-c1ccccc1	737424931	MBGAJVCRCNTTCC-UHFFFAOYSA-N	415.518	5.029	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)CCc3ncc(-c4ccccc4)o3)c2)s1	739600403	XFKWHDHNSWMTCR-UHFFFAOYSA-N	413.502	5.191	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccc(F)cc3)C3CC3)c2)s1	740484675	REUXIXAVTNNWKG-UHFFFAOYSA-N	405.498	5.300	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1cc(Cl)cc(Cl)c1	740536882	ZDWVFNHVSHWKKZ-MRXNPFEDSA-N	420.683	5.018	30	20	HKED	
N#Cc1cccc(-c2nnc(CSc3nc4cc(C(F)(F)F)ccc4s3)o2)c1	741850633	VLTDCMFSWPBDDI-UHFFFAOYSA-N	418.425	5.529	30	20	HKED	
CCOc1cccc(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	742983857	AYMNSPIPJKJDQU-UHFFFAOYSA-N	403.507	5.345	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1	744031407	WBMWUCGKYLFGRN-VGVVRCBHSA-N	422.337	5.108	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	744037808	DRSYMGRPIVMXCT-RZXPCSSPSA-N	419.353	5.730	30	20	HKED	
Cc1nc(/C=C\c2ccc(Cl)nc2)sc1C(=O)/C=C/c1ccc(Cl)nc1	748997370	JWMXUSYPHSZZHS-FCLYREJYSA-N	402.306	5.615	30	20	HKED	
C/C(=C/c1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	750683535	GXHBRUBSRGVQKC-SBCUQWKCSA-N	414.436	5.369	30	20	HKED	
CSc1cc(Br)ccc1/C=C/C(=O)c1cccc(N2CCOC2=O)c1	755697913	DMLVICDQEYCKIJ-SOFGYWHQSA-N	418.312	5.024	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)nc2)cs1	759084236	UIOUEAHYNXJXTM-YVMONPNESA-N	418.305	5.426	30	20	HKED	
N#C[C@H](C(=O)C1CCC(F)(F)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759216112	JDJLNDKWDCFAOQ-CYBMUJFWSA-N	415.292	6.119	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	759223737	XPSCOJDJGLNQHQ-MLGOLLRUSA-N	418.440	5.379	30	20	HKED	
C[C@H](c1ccccn1)N(C(=O)c1cc2ccccc2n1CC#N)c1ccc(N(C)C)cc1	766588832	PQUSZVRERFYFNW-LJQANCHMSA-N	423.520	5.034	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](F)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	769296760	XRKNEIVBKZPMPS-YOEHRIQHSA-N	405.281	6.004	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)c(Cl)c1	769543032	DBKIMXOXHYEUMB-INIZCTEOSA-N	423.900	5.091	30	20	HKED	
CCOc1ccc(C=NOCc2nc(-c3ccccc3Cl)cs2)cc1OC	774720524	ZKYUVSSMCSNUDO-UHFFFAOYSA-N	402.903	5.422	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCSCC2)cc1	775637828	AWZSLSAFAQYQLP-UHFFFAOYSA-N	407.992	5.175	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	777119118	YWKHSIBZPXCGRO-INIZCTEOSA-N	418.566	5.124	30	20	HKED	
N#CC1(c2ccc(C(=O)OCc3coc(-c4ccc(C(F)(F)F)cc4)n3)cc2)CC1	777177049	JEEGHEZOWWETGW-UHFFFAOYSA-N	412.367	5.273	30	20	HKED	
COc1ccc(Oc2ccc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)cc2)cc1	783705057	GJYIBVWZKXCLQI-QCDXTXTGSA-N	415.367	5.503	30	20	HKED	
CC(=NOCCCCC(F)(F)F)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C	784048728	DENKXMAOPCNFIC-UHFFFAOYSA-N	408.346	5.068	30	20	HKED	
N#CCSc1ccccc1C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1	787437685	ACRMAEFDOBZQIT-UHFFFAOYSA-N	424.875	5.436	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)c2nccc3ccccc23)c1	792104769	YGHKPFASRKTQTH-FQEVSTJZSA-N	412.518	5.006	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC([C@H](O)c2ccccc2C)CC1)c1ccc(F)c(F)c1	805303440	XAZFUPVGXIVZFD-GOTSBHOMSA-N	414.496	5.046	30	20	HKED	
C=CCN(C(=O)c1cccnc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	808038271	PVZVOXOYSVWVIS-UHFFFAOYSA-N	408.285	5.484	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2)cc1	809635940	MWVMYGTYOMKTOA-UHFFFAOYSA-N	408.505	5.090	30	20	HKED	
CC(C)(C)OC(=O)Nc1ncc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)s1	810166688	MVAZNDRJHDGUKY-UHFFFAOYSA-N	423.498	5.161	30	20	HKED	
Cc1sc2nc(/C(Cl)=C\c3cccc(F)c3C#N)nc(O)c2c1-c1ccccc1	811688106	UWAFHVLEKWHQQT-MHWRWJLKSA-N	421.884	6.120	30	20	HKED	
Cc1cc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1-c1ccccc1	815788322	BQZJUCNSFKVXNS-DEOSSOPVSA-N	411.505	5.152	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(Br)s3)c(Cl)nc21	913615443	XXAGURADUXDAKS-ONEGZZNKSA-N	410.724	5.386	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915351803	GRFBRPTVJSBDBP-JOCHJYFZSA-N	423.438	6.025	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917043369	LJWOBXVSEYEQRG-QWRGUYRKSA-N	424.234	5.382	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\Sc2ccccc2)cc1	917806192	WEUKXSVOQUKLCB-ICFOKQHNSA-N	400.503	5.576	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)-c3ccccc3C4)n2)cc1	920143891	UIYYIVYLHFJQHW-QHCPKHFHSA-N	422.509	5.880	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)s3)CCC2)cc1	1789453121	LXAYISXKUANUJH-LJQANCHMSA-N	424.566	5.273	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1	1790685891	ZRVVSXPCWHPIIL-UHFFFAOYSA-N	418.537	5.025	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)C1	1804866386	ZNDVFJFKAXQPEX-DHIUTWEWSA-N	422.613	5.014	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1829068576	FTNWOTNWUXBJOC-MDRMPYQZSA-N	414.634	5.345	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(C)s2)ccc1OCC(=O)Nc1ccccc1	8080371	XOXOSWWOFMXTKU-ZRDIBKRKSA-N	421.518	5.369	30	20	HKED	
CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1-c1ccccc1C#N	50867494	VRCAUCSJXUQNGI-ATIYNZHBSA-N	410.517	5.465	30	20	HKED	
N#Cc1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)sc2c1CCCCC2	64868378	IHCSURJKMOWHJX-UHFFFAOYSA-N	424.507	5.173	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3)cc2OCC)cc1	108062402	ZNLXLMKMELOATJ-UHFFFAOYSA-N	421.522	5.374	30	20	HKED	
O=C(/C=C\c1ccc(SC(F)(F)F)cc1)c1ccc(N2CCC(O)CC2)cc1	209878739	JVDJATFFFDMFIN-KMKOMSMNSA-N	407.457	5.156	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C#N)Cc1ccc(C)cc1	302106736	FHOSKEOHZSPHJM-HXUWFJFHSA-N	424.957	5.232	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1Cl	303401568	REIWYNMZORDZAX-OXJNMPFZSA-N	413.974	5.367	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	303529376	RLWPWALMGIASBS-UHFFFAOYSA-N	414.530	5.345	30	20	HKED	
Cc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1NC(=O)c1ccco1	432756629	ZINAVYQMBSQMDW-OAQYLSRUSA-N	416.481	5.397	30	20	HKED	
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[S@@](=O)CCCCC(C)(C)C#N	436097254	ICTABTJFTQLRHA-OIJAAMDRSA-N	413.465	5.285	30	20	HKED	
CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	437888001	GNDOOLMFPFJPQQ-VGSWGCGISA-N	404.514	5.243	30	20	HKED	
Cc1cnc(N[C@H](CCC#N)c2ccccc2)nc1N[C@H](CCC#N)c1ccccc1	439093235	SBTACNYIIYFHOS-DHIUTWEWSA-N	410.525	5.699	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3nc(-c4ccccc4)c(Br)s3)CC2)cc1	444745954	WJJITKORFDEVTP-UHFFFAOYSA-N	424.323	5.115	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2cccc(CSC3CCOCC3)c2)CCCC1(C)C	444896216	LUVZCRHJNIJDRW-OAQYLSRUSA-N	402.604	5.697	30	20	HKED	
C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@H]2CC[C@H]1c1ccccc12	460808285	ADHYTKSWQLQWPS-MNAPGUCWSA-N	406.574	5.212	30	20	HKED	
O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1C(F)(F)F	464723132	DHQJKJVWKSZMOT-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Oc2ccccc2)ccn1	465027152	MSNRWIXHXLVCJO-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ncccc1OCCCC#N	466592763	IXUDBERUVUOKCJ-MRXNPFEDSA-N	421.526	5.079	30	20	HKED	
CC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1	467714564	QZHKCUZAYBLYCO-VIFPVBQESA-N	415.334	5.593	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCOc4c(Cl)cccc43)ccc21	469265703	UDYFVLWZQXDART-FQEVSTJZSA-N	409.917	5.249	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C#N)CCc1ccccc1	469660588	YGXCEAHDRKYBPP-HSZRJFAPSA-N	409.489	5.157	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(SCc4cccnc4)cc3)on2)c1	471297502	KDSDLPLPMDAWPD-UHFFFAOYSA-N	412.474	5.153	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C(F)(F)F)o1	471759674	PCGZDMCWYZQYNP-QGZVFWFLSA-N	418.802	6.168	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C	474997348	DUAJJZGELPSXDE-SFHVURJKSA-N	407.493	5.546	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CNc3ccccc3)cc2)o1	478794334	JUKXICJRQMUTTP-UHFFFAOYSA-N	423.472	5.595	30	20	HKED	
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)o1	481270791	BFXIKHZRTXDADS-MGPUTAFESA-N	421.476	5.044	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	481685071	LMFMCXSOTSQDBO-SFHVURJKSA-N	417.484	5.544	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483246746	UZLLDFLQHGDDOX-HNNXBMFYSA-N	404.882	5.205	30	20	HKED	
O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1cc(F)c(OC(F)F)cc1F	491300267	XTAXKRQZLMEWBX-IUCAKERBSA-N	402.310	5.056	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C(F)F)sc2c1	493011920	WTJMDUHGBLBNGX-UHFFFAOYSA-N	400.454	5.550	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cc1	495076834	BKTAFIXRHUOQKN-RTBURBONSA-N	422.937	5.789	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	498948129	PFBUOPJJYFKWIX-QGZVFWFLSA-N	400.526	5.039	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)o2)cc1	500650297	VZUOCGWNKGXSET-FGZHOGPDSA-N	410.473	5.191	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Oc2cccc(F)c2)nc1	501699657	QBZQTAHGGCTTGR-UHFFFAOYSA-N	423.447	5.482	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cccc(COC(C)C)c2)cc1	502597913	VUFLSQSEWWMZTC-UHFFFAOYSA-N	407.514	5.070	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(n2cc(Cl)cn2)CC1	504860321	XGMUVAYPJUGXMS-UHFFFAOYSA-N	422.941	5.037	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	505444640	SDURCMBTVLEDAT-CYBMUJFWSA-N	422.724	6.016	30	20	HKED	
N#C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1ccc(Cl)c(Cl)c1	505981099	IGJXGKGGMVCHMM-OAHLLOKOSA-N	406.656	5.296	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)C2CC2)cc1	506545415	JTFWSIYGTJITIT-UHFFFAOYSA-N	415.924	5.629	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	506650305	FOUAZSCNWRQHSU-VBKZILBWSA-N	422.916	5.526	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	509459602	NPFMUKNAIQEAFT-XMMPIXPASA-N	409.489	5.096	30	20	HKED	
CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCc2ccccc21	509856266	TXUUTWIVRIWUET-VWLOTQADSA-N	411.505	5.483	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccccc3)C3CC3)c2)cc1	509891966	ZQLUPNZPRFIPIT-UHFFFAOYSA-N	411.505	5.528	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C)cc1	511321637	PYUNTBNKWXHLMJ-DEOSSOPVSA-N	413.521	5.913	30	20	HKED	
C=CCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)c1nc(-c2ccccc2)cs1	512101455	YSUBRNZCZUVEBT-UHFFFAOYSA-N	408.571	5.041	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCOc3ccc4ccccc4c3)s2)cc1	514323603	DUGYJUZMAHEWAE-UHFFFAOYSA-N	413.502	5.166	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1	515145730	CQJOTZBNMQJFQP-JOCHJYFZSA-N	423.582	5.127	30	20	HKED	
COCC[C@](C)(C#N)NC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1	518611288	VZRCBRFGEXMTFQ-HXUWFJFHSA-N	423.365	5.334	30	20	HKED	
CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	518683238	NJHMTTKFHGHQQH-KRWDZBQOSA-N	424.570	5.245	30	20	HKED	
C=CCn1c(SCc2cc(OC)ccn2)nc2scc(-c3ccccc3)c2c1=O	520725989	DAHOMIDKCDHMPY-UHFFFAOYSA-N	421.547	5.007	30	20	HKED	
CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1C(C)(C)C	524455850	FDVBYACWZMINIT-UHFFFAOYSA-N	420.488	5.043	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1ccccc1NC(C)=O)c1ccc(C(F)(F)F)cc1	533075867	RUWBKXYYCIBQSO-IBGZPJMESA-N	419.447	5.171	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(OCC3CC3)CC2)cc1Cl	534160705	VCLUAWPOYUPCHO-UHFFFAOYSA-N	410.901	5.035	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1	534688402	FQOZSGYVIBRTMS-HTAPYJJXSA-N	405.929	5.754	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1C	535488196	RYLKQFWYTLUJLM-UHFFFAOYSA-N	401.466	5.293	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1	538236235	HMHWWZUCEQBPPW-OALUTQOASA-N	405.567	5.064	30	20	HKED	
Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1	538784802	LEKXDSUDUXDKCL-IBGZPJMESA-N	405.567	5.876	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc4nc(C(F)(F)C(F)(F)F)[nH]c4c3)cc2)CC1	539650087	BBKFHWZNNQUCRO-UHFFFAOYSA-N	420.341	5.024	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1	539664870	RDDXHTFYTPSFJT-QGZVFWFLSA-N	401.535	5.507	30	20	HKED	
C[C@@H](NCc1ccc(OCc2ccccn2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	541088359	MEHLMHMSGHJVKW-OAQYLSRUSA-N	419.528	6.050	30	20	HKED	
COCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	543034548	OGQFOCZIRSFAJQ-PMACEKPBSA-N	400.522	5.662	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnc(C)s1	549691048	STUMCQKMOAHSFK-CQSZACIVSA-N	417.966	5.049	30	20	HKED	
O[C@@H](CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1	559186546	RPYLJXCEDUGBEI-SJORKVTESA-N	409.345	5.031	30	20	HKED	
N#CC1(CNC(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)CC1	568466748	UBJKAJRHMGYSRN-UHFFFAOYSA-N	410.836	5.245	30	20	HKED	
C[C@@](C#N)(NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)C1CCCCC1	571221124	KHQLHHOSGBBHJY-FQEVSTJZSA-N	419.312	5.168	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	574335807	WZVSLJGJRJXAHK-HXOBKFHXSA-N	407.539	5.082	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	579532467	AYLBRLBQXFYRPG-OAHLLOKOSA-N	406.873	5.624	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccccc1	603651497	FCTWEBFBFCROSM-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CSc4cc(C#N)ccn4)nc(O)c23)cc1	603726938	OTHRLCRYJFAOEU-UHFFFAOYSA-N	404.520	5.240	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)C(F)(F)F)cn2)cc1	603822079	RKFJMWJDQXVNCL-LJQANCHMSA-N	412.371	5.171	30	20	HKED	
Cc1cc(F)cc2[nH]c(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc12	604860574	DVNQMFCKIHTCAI-UWVGGRQHSA-N	410.333	5.255	30	20	HKED	
C=CCn1c(SCc2ncc(CC)o2)nc2sc(-c3ccccc3)cc2c1=O	608101018	JOLWVCIFQLNZDW-UHFFFAOYSA-N	409.536	5.154	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1	609001188	RBJKGVJBVXTVQU-UHFFFAOYSA-N	415.459	5.229	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	609376448	AMMOBFRZDKEWFA-BPLDGKMQSA-N	405.350	5.987	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1	609811302	YURBMQOQOKVBCW-DYESRHJHSA-N	408.571	5.373	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1-c1ccc(Cl)cc1	610090925	RJXGCFCRFLGAMK-QGZVFWFLSA-N	403.913	5.781	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1	610356940	CUWQSGHFFMAXGM-OSPHWJPCSA-N	417.484	5.050	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCc2cc(F)ccc21	619388811	IWMQGZKINVTZQG-UEKVPHQBSA-N	412.349	5.022	30	20	HKED	
C=CCCOCC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C	620236866	IZMVUIVZQVFYIG-APWZRJJASA-N	408.929	5.449	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)s2)c(C)c1	622283169	OFDQPKCFMNKCCO-OAHLLOKOSA-N	422.460	5.662	30	20	HKED	
C=CCN(C(=O)CCCOc1ccc(OC)cc1)c1nc(-c2ccccc2)cs1	641902204	HSRPTXPNULEFKF-UHFFFAOYSA-N	408.523	5.197	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1ccc2ccccc2n1	671746069	JWQYVENPWHOUSX-GFCCVEGCSA-N	403.638	5.280	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(C(F)(F)F)s1	671849732	BALPBGKMBXYUCI-UHFFFAOYSA-N	401.303	5.490	30	20	HKED	
CCc1noc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1	679951577	POXSXQSMHBGXLI-LBPRGKRZSA-N	421.263	5.063	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(OC(C)C)cc1	726430251	RLGMIEUBJDGGPA-UHFFFAOYSA-N	413.518	5.262	30	20	HKED	
Cc1csc(CCCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1	727222601	GXAIVDGAYYNDGA-NRFANRHFSA-N	404.539	5.251	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC1CCCC1	727222611	HLJIVWJQFVLODW-UHFFFAOYSA-N	407.514	5.331	30	20	HKED	
COc1cc(/C=C2\CCc3nc(-c4ccc(C)cc4)sc3C2=O)cc(OC)c1OC	727654247	JMJNIROHFSLNEA-GZTJUZNOSA-N	421.518	5.357	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728299640	UIFLLMOYAUOMJJ-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	728768703	KBOACFNBDBFCNN-HIFRSBDPSA-N	412.461	5.467	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sccc3SC(F)F)n2)cc1	730687635	PTVAAKRFZGLOHG-GFCCVEGCSA-N	406.504	5.985	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3nccn3Cc3ccccc3)s2)cc1	734096016	VEUCDFKPAVJDDS-OUKQBFOZSA-N	415.518	5.268	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1	734100449	AWGVDYVDDZQSSE-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3nccs3)c2)cc1	737321822	BUAQCDAVXXZVAO-MGPUTAFESA-N	419.506	5.410	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c1	741563640	HQDZEWYBKNGTAS-RDJZCZTQSA-N	404.432	5.196	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1ccccc1Cl	741602021	CQNQAFWYBVTZMG-ZXYASIKESA-N	402.881	5.139	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	743093266	QFRXJQYCZVYUKL-CLJLJLNGSA-N	411.549	6.136	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c[nH]c3c(C)cccc23)cc1	744028439	KJNOJEGBUXRONA-JOCHJYFZSA-N	401.510	5.099	30	20	HKED	
C#CC[C@@H](OC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccccn1	747115051	XAKFZTUDZQLOTM-MRXNPFEDSA-N	402.397	5.145	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C)s1)C(=O)c1ccccc1	747150545	PZGDQDXCUHVSPX-JWGURIENSA-N	403.547	6.086	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2ccccc2o1	750689890	MVVWENUHGCCCAH-WFASDCNBSA-N	407.882	5.386	30	20	HKED	
C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc2ccccc2s1	754697888	DWBJQEMGXPQGPQ-CQSZACIVSA-N	424.595	5.178	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21	758240919	DFCLVVXFFBJXCX-VQIMIIECSA-N	407.539	5.649	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccc(F)cc2Cl)cc1	760452464	FZESHQLDBWCVJJ-XMMPIXPASA-N	422.887	5.138	30	20	HKED	
COC(=O)Nc1cc(C(=O)Nc2ccccc2SCCC#N)cc(C(F)(F)F)c1	763366902	GSDRLDFGKCVREH-UHFFFAOYSA-N	423.416	5.142	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)c1=S	765042636	ZYXWQQXJPZAIGQ-LAUBAEHRSA-N	423.561	5.232	30	20	HKED	
CC(C)Oc1ccc(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C#N	771887159	CHPCSKZXIZHHDM-UHFFFAOYSA-N	403.269	5.314	30	20	HKED	
CCc1c([C@H](C)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)oc2ccc(C)cc12	776165939	YRHXUKGEKGRRLJ-HKUYNNGSSA-N	406.526	5.844	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)n1	777325605	QLLKBRKYGGRECR-INIZCTEOSA-N	411.527	5.054	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3[C@@H](O)C(F)(F)F)c2)cc1	777832804	DHIBEHDEPMSYKL-HXUWFJFHSA-N	412.367	5.199	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Br)c(F)cc1Cl	780588470	HKBSLEAHGUTYQY-VIFPVBQESA-N	412.646	5.176	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	781134722	GBXWXTHGJUYQOH-WZONZLPQSA-N	414.505	5.177	30	20	HKED	
CCC1(c2ccc(Cl)cc2)CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1	791841033	OYBDBUKYAPTCHU-UHFFFAOYSA-N	415.896	5.357	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1sc2c(c1C#N)CCCC2	796518370	ZHJOVALLDSHZCB-UHFFFAOYSA-N	411.527	5.406	30	20	HKED	
N#C[C@H](C(=O)CCSCc1ccccc1)c1nc(-c2c(F)cccc2F)cs1	796669326	FJOHRZLBZQXYOL-OAHLLOKOSA-N	414.502	5.588	30	20	HKED	
N#CC[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	796670480	MOCBPJBCQPLDRN-JKSUJKDBSA-N	407.445	5.352	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2cccc(OCC#N)c2)ccc1Br	797615078	PMEFIFFKDBTSGE-IBGZPJMESA-N	414.303	5.029	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1	800576169	CBTAFRVGJQHASG-UHFFFAOYSA-N	415.578	5.306	30	20	HKED	
CCCN(CCN1CCCCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	806200816	NSEJBAYZPLZRHY-XMMPIXPASA-N	404.558	5.072	30	20	HKED	
C#Cc1ccccc1CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	812912011	JXNQFLLCHKGHRC-UHFFFAOYSA-N	422.406	5.120	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)[C@@H](C)CCCCC(=O)O	814926664	DRIAVJPBLYSLOV-ZDUSSCGKSA-N	408.424	5.231	30	20	HKED	
C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1O	815556079	NPFRMGCLJXWCDR-ZNSHCXBVSA-N	423.319	5.971	30	20	HKED	
CC(C)CN(C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(C#N)cc1	914510411	JUPTZASGEPBHQU-NFAVZRQZSA-N	415.375	5.281	30	20	HKED	
COc1cccc(-c2nc(/C=C3\SC(=Nc4c(C)cccc4C)NC3=O)cs2)c1	915849014	LUWKPSLYEPIZPV-WQRHYEAKSA-N	421.547	5.327	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)c(-c2ccccc2)n1	916154412	JDHLNPOICXHPEW-QINSGFPZSA-N	410.521	5.350	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c1	916212111	TTWQUDIVLDELDV-NRFANRHFSA-N	421.566	5.206	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976800	UBPDWAHPHGINRP-GOSISDBHSA-N	405.910	5.603	30	20	HKED	
Cc1nn(C)cc1C(=O)/C=C/c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl	917519705	CPAPYBVLSUQRKC-VOTSOKGWSA-N	423.731	5.138	30	20	HKED	
Cc1ccc2c(C=Nn3c(S)nnc3COc3ccc(C(C)(C)C)cc3)c[nH]c2c1	917537647	FAANEMSMXAMAOO-UHFFFAOYSA-N	419.554	5.115	30	20	HKED	
C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC	917644854	NRYIKHPTFXOSAZ-KWPCUBQOSA-N	411.548	5.222	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	919893794	PERNUJHJUBRCMQ-UHFFFAOYSA-N	422.488	5.714	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O	921138647	WWFPMXNAOSZTHL-CQSZACIVSA-N	415.877	5.027	30	20	HKED	
CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1	1785795824	CLXJAKCHWYMMJB-UHFFFAOYSA-N	417.553	5.061	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cc(C)cc(C)c2)cc1	10172610	TXWSFVRRUPYXNA-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1	10843843	UIMKFJBNEXORLG-UHFFFAOYSA-N	400.500	5.490	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(C)c(C)c1	11160061	YVVLFTKPFMVUMW-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
COC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	46861625	IJMQONJRCKEMMJ-FQEVSTJZSA-N	404.853	5.034	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccccc3)c2)cc1	47570379	PDVUGDLZMNXYQV-RUZDIDTESA-N	411.505	5.701	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)N[C@@H](C)c1ccc2ccccc2c1	56199498	YIUZDGSJGRVFGY-OALUTQOASA-N	401.510	5.200	30	20	HKED	
Cc1ccc(-c2nnc(NC(=O)c3ccccc3-c3ccccc3C#N)s2)c(C)c1	65084078	ZHIAWYOSDCGMLH-UHFFFAOYSA-N	410.502	5.613	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	65839551	GWWDGECPCGHAPG-UHFFFAOYSA-N	411.461	5.048	30	20	HKED	
COc1cccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	410334266	CNDSAFLWHFSUDB-QFIPXVFZSA-N	419.912	5.368	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCCC[C@H]1C	410354686	PBCATZINTRNAIU-OAQYLSRUSA-N	418.585	5.054	30	20	HKED	
COc1cc(Cl)c(Br)cc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	429109722	AUVKKBUNIHZZCE-SNVBAGLBSA-N	421.703	5.211	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)s1	430602725	ICMUVLNVXUJCGG-INIZCTEOSA-N	424.472	5.440	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	432088631	KGWBPUATIZSGHK-QANKJYHBSA-N	417.481	5.217	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1	435023403	JZCWXPYLOYQIFS-OAHLLOKOSA-N	421.953	5.553	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO	437757140	IHEQTZMRWKRUTQ-MJGOQNOKSA-N	411.571	5.005	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)N[C@H](CCC#N)c2ccccc2)c1	439388523	PCSJZFJPSYWOTB-MRXNPFEDSA-N	407.461	5.816	30	20	HKED	
N#CCC[C@H](NC(=O)CCCCOc1ccc(Br)cc1)c1ccccc1	439667419	RKWMUPPPRHETGH-FQEVSTJZSA-N	415.331	5.159	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	442877155	WJQGSRTZZMMRBV-QGZVFWFLSA-N	418.547	5.594	30	20	HKED	
CC(C)=CCOc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	442879507	WDTQFNQXVULMLO-OAQYLSRUSA-N	413.502	5.517	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2)cs1	443875284	CYBKGXXHRURAGP-UHFFFAOYSA-N	417.412	5.173	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c2ccccc21	444020354	BYTWSRANXMSUOR-UHFFFAOYSA-N	421.570	5.030	30	20	HKED	
CCC[C@]1(COC)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	446128285	VTKHYRHBFFYCSY-RUZDIDTESA-N	421.541	5.145	30	20	HKED	
N#Cc1c[nH]c2ccc(Cl)cc2c1=NCc1ccc(Oc2cccnc2)c(F)c1	462390414	PVZRRQXROYMXSH-UHFFFAOYSA-N	404.832	5.120	30	20	HKED	
C[C@H](C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc(C#N)c1	462482704	IGSVSUKUZJLDDN-IFXJQAMLSA-N	405.498	5.118	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1	466959066	FFJFYCKGWLASIA-HNNXBMFYSA-N	400.935	5.046	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1	467334340	GUIKUBGIDMPLDZ-HNAYVOBHSA-N	415.946	5.197	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2cccnc2)c1	467343518	YWGFSHHMADNICZ-KRWDZBQOSA-N	402.523	5.465	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	469020112	RYXYMODPIWHZBH-UHFFFAOYSA-N	423.344	5.154	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)cc1	470582672	KXFVFJCRKRHWFK-GHTZIAJQSA-N	400.478	5.057	30	20	HKED	
COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	470779315	MQQNYZHVEFJJOX-UHFFFAOYSA-N	419.481	5.241	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	471204595	ZDWCWNQYBWNXQD-JEBQAFNWSA-N	421.850	5.800	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O	475548498	RKGLGMZCJJZJGL-LJQANCHMSA-N	411.933	5.119	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCc4c(O)cccc43)c2)cc1	476063430	UKPHVAOEPRFARX-DEOSSOPVSA-N	412.489	5.096	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC(F)(F)F)c3)n2)cc1	477872957	GNYTYXPVFKOUEC-MRXNPFEDSA-N	418.396	5.207	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)c(F)c1	478052158	XZYOBTFIVIJVGI-UHFFFAOYSA-N	423.822	5.364	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)s1	478569931	QOWWGTWBOHILCQ-KRWDZBQOSA-N	416.531	5.436	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccc(C)cc1	481401362	LMZPIAAJWCGMFO-QGZVFWFLSA-N	417.538	5.267	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)Nc3ccccc3SCCC#N)c2)o1	484948910	MKDMTFRUCNFUBF-UHFFFAOYSA-N	419.506	5.146	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCn3ccc4ccccc43)c2)cc1	486043864	JWYOOTSHFLMKPT-UHFFFAOYSA-N	409.489	5.315	30	20	HKED	
C[C@H]1CSCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	486256446	LPASOGODVFYNQE-CQSZACIVSA-N	401.919	5.221	30	20	HKED	
O=C(NC[C@H](c1ccccc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	486440995	DHLHZASSSGZOKN-HZPDHXFCSA-N	422.344	5.465	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1COCc1ccccc1	487845267	SQOMMUYFQPBMPE-RUZDIDTESA-N	414.505	5.317	30	20	HKED	
N#Cc1cc(F)ccc1CSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	488518580	XNHNUPFJWBEHJL-UHFFFAOYSA-N	402.800	5.241	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1C	488921984	VJHNYNFMZHQFFR-IBGZPJMESA-N	420.582	5.484	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1ncc(C(C)(C)C)o1	489630726	GDFZARZZWDAOSX-INIZCTEOSA-N	412.559	5.490	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cccc(Br)c1)c1c(Cl)cccc1Cl	499837371	WRAJJESHKVCELA-OAHLLOKOSA-N	412.114	5.070	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccn2)c1	499893200	HSGINSWMORHIOE-MBSDFSHPSA-N	416.550	5.553	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F	506603156	URZNEQQYZQUALH-UHFFFAOYSA-N	420.865	5.165	30	20	HKED	
C=CCN(C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)c1nc2c(s1)CCCC2	507075705	WOKMMPGRYUIJSG-UHFFFAOYSA-N	424.957	5.274	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)c3ccccc3C#N)cc12	508102853	ZGIJMDDTEWXGQR-UHFFFAOYSA-N	406.898	5.197	30	20	HKED	
Cc1ccc(F)cc1-c1nnc(NC(=O)c2sc3ccc(C#N)cc3c2C)s1	509892356	BZHGVELUPVXUIT-UHFFFAOYSA-N	408.483	5.300	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(C#N)cc1	510411705	GIOCMAKZJYQBQG-UHFFFAOYSA-N	411.383	5.431	30	20	HKED	
O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510950178	TWOHZXFTMJRDFA-KYOSRNDESA-N	414.365	5.487	30	20	HKED	
COc1ccc(CN(C(=O)NCC(C)(C)CCC#N)[C@H]2CCCC[C@@H]2C)cc1OC	513124952	YPAMHCVZHXEELH-ICSRJNTNSA-N	415.578	5.124	30	20	HKED	
CN(C)Cc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	517227953	DTVYXQKBOPOXRC-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@H]2CCCO2)CC1	517761056	FZSIONPEGRPHEJ-NZQKXSOJSA-N	424.589	5.006	30	20	HKED	
C[C@@H](NC(=O)CNc1ccccc1SCCC#N)c1ccc(Cl)c(Cl)c1	518140409	OTGDHNLXWNPMBS-CYBMUJFWSA-N	408.354	5.288	30	20	HKED	
CC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1OC(F)F	518372487	YYZFLBJFYPKUKG-IBGZPJMESA-N	423.419	5.228	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	519971726	MCEULBHQPQAYQZ-UHFFFAOYSA-N	415.493	5.597	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCCCOc1cccc(C#N)c1	520328814	KJWDACXDOFVROV-OAHLLOKOSA-N	405.325	5.162	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc([N+](=O)[O-])c1	520597964	MCSIIWMVBODLEJ-OAHLLOKOSA-N	402.410	5.141	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(=Cc2cccc(F)c2)CC1	520856721	OQQUVRGLAVNOIP-KRWDZBQOSA-N	409.530	5.789	30	20	HKED	
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	522907468	GJAXZFFDUQZFOX-HTAPYJJXSA-N	413.949	5.155	30	20	HKED	
Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1NC(=O)Nc1ccccc1	525430490	HIAKPARKOPMQRH-UHFFFAOYSA-N	404.495	5.441	30	20	HKED	
CCCN(C(=O)c1ccc(CC#N)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F	535445619	IIAITRSRYCRMAS-HSZRJFAPSA-N	405.448	5.068	30	20	HKED	
C=CCN(C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12)C1CC1	540136718	SZVVKULXCQEAFM-UHFFFAOYSA-N	401.388	5.008	30	20	HKED	
CC(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	542943023	DTBHFCGHYOBJAI-ZWKOTPCHSA-N	411.505	5.106	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	543482810	STOQNYOQLYGTFM-NRFANRHFSA-N	410.304	5.512	30	20	HKED	
C=CCn1c(SCc2cncc(Br)c2)nnc1-c1cccc(Cl)c1	544072902	INGAELJDSUOMGX-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
FC(F)(F)CCc1noc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	547034336	SDVPHRJPOUSGII-UHFFFAOYSA-N	408.220	5.181	30	20	HKED	
COc1cccc(C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	548406863	XIUKSZCDBMGYSZ-KRWDZBQOSA-N	409.555	5.501	30	20	HKED	
CN(C(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1)C1CCCCC1	551823860	XYYZTKTTZZMRHG-UHFFFAOYSA-N	405.542	5.386	30	20	HKED	
Cc1c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cccc1-c1ncco1	552723739	VPWHEERPJZZWNV-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl	556930567	SNOOCIQPOSAGFH-UHFFFAOYSA-N	417.694	5.140	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1c[nH]c2cccc(Br)c12	557291811	VUJWYLQTHXKZFG-LBPRGKRZSA-N	414.328	5.434	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	558732891	QFQXIANDOXIDPV-PSWRPDDJSA-N	419.594	5.430	30	20	HKED	
N#Cc1ccc(CCc2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1	561933714	MWKORZIXOUQGRE-UHFFFAOYSA-N	410.355	5.067	30	20	HKED	
C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(NC(=O)Cc2ccccc2F)c1	580249325	COHCHTPJQNGBES-NSYGIPOTSA-N	413.496	5.217	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)cc2)ccn1	581541432	WCDBKAWFWQXJRV-FQEVSTJZSA-N	411.383	5.420	30	20	HKED	
CC(C)(C)c1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1	588348896	FXEXQPMKSDHYPO-ZDUSSCGKSA-N	401.944	5.708	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)sc2c1CCCC2	588813906	VDKUHALZZIGKQK-UHFFFAOYSA-N	401.491	5.003	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)c1ccccc1	590122493	ZOXKUZPGKVIGIL-INIZCTEOSA-N	424.701	5.798	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl	591532209	TYKAGIBGFDDWDK-UHFFFAOYSA-N	405.951	5.102	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cn2)c1	603691593	QFADRCKHKZSXJP-OAQYLSRUSA-N	402.429	5.254	30	20	HKED	
Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)c1	603758609	UKOPYQWBWUJELY-UHFFFAOYSA-N	415.440	5.494	30	20	HKED	
C[C@@H](c1ccccc1)n1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccccc1	603917214	FBYAEXFQGUPQFW-WMZHIEFXSA-N	410.546	5.781	30	20	HKED	
CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cn(CCC#N)nc1-c1ccccc1	603940691	RBKYAEOZJBEGTO-JOCHJYFZSA-N	419.916	5.094	30	20	HKED	
COc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	608785385	WCHNIYKIKGXBBF-NRFANRHFSA-N	415.449	5.004	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(OCC(F)F)c3)cc2)cc1	608840664	DHWSROIRBGHKMR-UHFFFAOYSA-N	423.419	5.316	30	20	HKED	
N#Cc1ccc(SCC(=O)N(c2ccccc2)c2nc3ccccc3s2)cc1	609125535	BSIBMIPTBZDIQT-UHFFFAOYSA-N	401.516	5.625	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N1C[C@H](C)C[C@@H](C)C1	609386986	CCQIKMAQEHQGDA-KFWWJZLASA-N	413.509	5.016	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(Br)cc1F	609428381	FEUBHAIIZDDWFZ-CYBMUJFWSA-N	421.335	5.554	30	20	HKED	
COCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H](C)c1ccccc1	609434056	ZWRGMFMWQGHTGG-LJQANCHMSA-N	415.493	5.592	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3(c4cccc(F)c4)CC3)c2)cc1	609642534	PSPAIVDYWSFUFG-UHFFFAOYSA-N	400.453	5.141	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CCOc2ccccc21	609786287	BUDLYAXUFAGSBI-AWEZNQCLSA-N	420.456	5.606	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n1	609988861	ZZQWKSQCMAJCCQ-UHFFFAOYSA-N	404.539	5.028	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c(Cl)c1	611094095	KBXLBPZXNSGIOG-UHFFFAOYSA-N	416.308	5.134	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	611665740	DCAXDEZRNMQPOM-GFCCVEGCSA-N	402.869	5.879	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)c1nc2ccccc2n1C(F)F	613405024	ZSUSKINKPGPJSE-KRWDZBQOSA-N	418.447	5.672	30	20	HKED	
CC(C)(C#N)c1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1	614057805	ITGAGYYOKNOUTD-UHFFFAOYSA-N	421.903	6.145	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CC(c2ccc(F)cc2)C1	644650226	BSYVRMVAKHTOJD-NWINJMCUSA-N	411.361	5.345	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	682115607	ZLBVCXWNXOSZFV-QXEWZRGKSA-N	416.328	5.172	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2[nH]1	730394616	JHTYAYHQICSAQZ-FQEVSTJZSA-N	415.880	5.214	30	20	HKED	
CCCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2=O)cc1	731332385	KFKKZSXHOSLKQI-MJGOQNOKSA-N	421.566	5.025	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1	733772152	YSPAZUHOMCVJTB-LZQZEXGQSA-N	403.309	5.094	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCO1	743093818	YFSGICRDZOMPKE-LOSJGSFVSA-N	411.505	5.256	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1	743450087	XBGPQVWPZRPLJH-RLHAVTDZSA-N	414.436	5.369	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(N2CCOC2=O)cc1	748584316	NPJPAIMVLCFCGO-LUAWRHEFSA-N	420.446	5.176	30	20	HKED	
Cc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)OC(C)(C)C	752033910	HHDOYEQPDBJVMY-IRLDBZIGSA-N	419.525	5.254	30	20	HKED	
C[C@@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)NC1(C#N)CCCCC1	753853691	GWJPEFFMZMVFOZ-LLVKDONJSA-N	413.490	5.138	30	20	HKED	
CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc21	754300453	DZNSTXRESHFWHV-UHFFFAOYSA-N	411.889	5.004	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(Cl)ccc1SC1CCCC1	754465222	OCIYWMGBVXTMHO-CQSZACIVSA-N	400.931	5.918	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccncc1	759216858	PPOSFPXMCQGPNZ-MLGOLLRUSA-N	416.333	5.882	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2NCc2ccccc2)cc1	763519938	WPUIADLHFGZHEB-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1	764948709	YNTCNZXPZQIGBL-HOTGVXAUSA-N	405.922	5.256	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=S)Nc1ccccc1C#N	767404406	UBNODYZHGUHKEB-UHFFFAOYSA-N	420.925	5.581	30	20	HKED	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N(CCC#N)Cc2ccco2)cc1	772691827	KSJPGNQKLPJEFW-UHFFFAOYSA-N	401.470	5.317	30	20	HKED	
N#C[C@@H]1C(CN(c2ccsc2)C2CCCCC2)=CC(=O)n2c1nc1ccccc12	773973269	OJXDUQUXUWIBQV-LJQANCHMSA-N	402.523	5.124	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)s1	773978244	AFWGMQVQASMDLB-HNNXBMFYSA-N	409.898	5.042	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3cc(SC(F)F)ccc32)c1	775412110	ZOEHGRWKWUMPTK-UTKZUKDTSA-N	402.510	5.849	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1OCc1ccc(Cl)cc1	780168643	AUEFTNSPCKZXLG-MRXNPFEDSA-N	406.869	5.462	30	20	HKED	
O=c1[nH]ccc2cc(NN=C(CC(F)(F)F)c3ccc(Br)cc3)ccc12	789086297	RVVBDPATQXYAML-UHFFFAOYSA-N	424.220	5.059	30	20	HKED	
O=C1CC[C@@H](C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2ccccc21	791035341	SRASCXFKGJXLSR-SNVBAGLBSA-N	420.280	5.065	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cnc4ccccc4c3)n2)cc1	796662853	SQCHFBSKFNLATH-FQEVSTJZSA-N	413.502	5.176	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3ccc(CC[C@@H](O)c4ccccc4)cc3)CC2)cc1	796918594	MHMSFJNWDFGINK-HHHXNRCGSA-N	411.549	5.305	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)s1	797573992	ZTKPQPXNLPTMAX-AWEZNQCLSA-N	415.465	5.183	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(CCC)cc1)[n+]1ccc(C(C)(C)C)cc1	797795662	APZQWQXGJGVUHP-UHFFFAOYSA-O	409.619	5.601	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1	798815845	BGDFGGHIJRDEHF-SUMWQHHRSA-N	400.425	5.809	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)nc1Cl	799889013	SAERZLQFCNLBCN-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCOC2=O)cc1)=C/c1ccccc1C(F)(F)F	799892539	JTTAHZDOLCMZKA-VPCSQCHNSA-N	401.384	5.504	30	20	HKED	
CC(C)OCCCn1c(SCC2(C#N)CCCC2)nc2cc(Cl)ccc2c1=O	806582694	UQSNKVCKXLWROY-UHFFFAOYSA-N	419.978	5.041	30	20	HKED	
N#C[C@H](C(=O)CCn1c2ccccc2c2ccccc21)c1cc(C(F)(F)F)ccn1	813218720	SDRPRJRRSUTIBG-SFHVURJKSA-N	407.395	5.475	30	20	HKED	
N#C[C@H](CCc1ccccc1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	904480803	ZKMNKDQZIFCLON-QFIPXVFZSA-N	419.488	5.375	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2ccc(-c3ccccc3)cc2)no1	904549787	VAXRUCJEEQKJSX-HXUWFJFHSA-N	418.497	5.663	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)n1	915085381	BDTXEDNJSHIDJT-RUZDIDTESA-N	406.489	5.397	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2ccc3ncccc3c2)cc1)Nc1ccccc1	916127901	NQTHOFSWHUCUDP-DHDCSXOGSA-N	408.457	5.148	30	20	HKED	
O=C(O)C(=O)/C(=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc2ccccc2n1	916138154	SMQXEIHNQWEHPZ-GZTJUZNOSA-N	420.877	5.206	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(C3CC3)C2=O)c1	916217616	RJCGVMGJTHHSCS-HXUWFJFHSA-N	421.566	5.043	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)Nc1ccccc1	916899833	GMTCMTZQLUMSRJ-NCUBBLFSSA-N	406.894	5.429	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl	916929561	BCYVUNBCWYXZCL-LBPRGKRZSA-N	419.289	5.178	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(F)c(Br)c1)c1nc2cc(Cl)ccc2s1	917431163	ZMJCFPSJRNHAPD-NSHDSACASA-N	423.694	5.270	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1	920270005	ZOXQXZNYIFLSQV-HNNXBMFYSA-N	402.306	5.321	30	20	HKED	
N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCCC4)cc3)CCC2)c1Cl	1787610398	FKYOSGRWSQGSEX-UHFFFAOYSA-N	421.928	5.150	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCCO3)CCC2)cc1	1789624138	LMSXVTBVQNIXJA-OAQYLSRUSA-N	412.574	5.072	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3C3CC3)CC2)C1	1805459657	RBWLMOCGTKEIGB-UHFFFAOYSA-N	420.597	5.177	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1824140722	GQEHAPMJOMIDCW-RUZDIDTESA-N	422.613	5.007	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccn3)n2)nnc1-c1ccc(F)cc1	11200316	QXIRBEPKLAIYRW-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1cccc(C)c1	16862973	ZXQQWNNNWHTZLM-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
N#C[C@@H](C(=O)CSc1nc2ccccc2s1)c1nc(-c2ccccc2)cs1	46582150	QQJHGCOSABIHQL-AWEZNQCLSA-N	407.545	5.388	30	20	HKED	
C=CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1ccccc1	58642431	MKHCCFIQRAGWPS-UHFFFAOYSA-N	414.509	5.722	30	20	HKED	
CCOC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	61210089	GIWURNXRXDALMQ-UHFFFAOYSA-N	416.502	5.280	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCCCCOCc2ccccc2)cc1	65369675	XIIIOERMXFPEKX-UHFFFAOYSA-N	415.493	5.469	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)cc2)cs1)c1ccc(F)cc1F	96924486	NKBQQOUTDRYTKJ-CLFYSBASSA-N	402.397	5.141	30	20	HKED	
CCN(c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1)C(C)C	108108606	NADZOLGJAMUPHH-UHFFFAOYSA-N	403.482	5.217	30	20	HKED	
CCSCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	108978318	SADVZUCPODVUPV-LJQANCHMSA-N	408.548	5.562	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1	110942814	XNAKCDUDYHKHBC-UHFFFAOYSA-N	413.477	5.144	30	20	HKED	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C1	117122020	FMVZSTIOMIQNCK-BGYRXZFFSA-N	421.610	5.197	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1Cc1ccccc1	195664308	WPEMXLLZQTURRZ-INIZCTEOSA-N	420.925	5.247	30	20	HKED	
COc1cc([C@@H](C)Nc2cc(C#N)nc3ccccc23)ccc1OCc1ccncc1	301389712	ZOSILMPMNIKQPQ-QGZVFWFLSA-N	410.477	5.262	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2cc(Br)cs2)c1	303258854	CWVSHFJBSZFEKA-UHFFFAOYSA-N	414.324	5.251	30	20	HKED	
CCc1occc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	430411126	DPRYELASBYWCNV-UHFFFAOYSA-N	405.401	5.032	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C	431364324	URRMBYKJNWASIE-LAUBAEHRSA-N	423.582	5.231	30	20	HKED	
N#CCCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1	431620470	KXMQLCHQFMPVDM-MRXNPFEDSA-N	416.852	5.072	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@H](CCCC#N)c1ccccc1	431854129	MNNUZILASLCKQW-GHTZIAJQSA-N	418.566	5.914	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	432692421	CWKBOQZZYFKOAP-JOCHJYFZSA-N	415.493	6.044	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(C(F)(F)F)cn1	434618114	XOZMMLLAYFGSDW-CQSZACIVSA-N	419.309	5.056	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1	436359856	KZBCEEFEQNIFQE-ZEQRLZLVSA-N	415.537	5.117	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	437866563	MQTWFPKIPAIRNK-KGLIPLIRSA-N	408.445	5.506	30	20	HKED	
CN(C)c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C(F)(F)F)c1	437908728	OJJYJRUWSXSLIC-YLJYHZDGSA-N	416.447	5.075	30	20	HKED	
C[C@@H](Nc1cccc(CSC2CCCC2)c1)C(=O)N(CCC#N)c1ccccc1	439595582	MHPXLMZSXKPHKT-LJQANCHMSA-N	407.583	5.610	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	440304943	QPLBRUGPQPTAKJ-UHFFFAOYSA-N	413.909	5.205	30	20	HKED	
C=C[C@](C)(CC)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	442899807	LPUBZETUDVXHNG-CJFMBICVSA-N	406.526	5.036	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(F)cc2nc[nH]c12	444440932	SYXHYWGMRXGPOT-AWEZNQCLSA-N	419.300	5.144	30	20	HKED	
C[C@H](C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(C#N)c1	462593828	OKLJOAIGWSNOIE-MEDUHNTESA-N	400.322	5.100	30	20	HKED	
FC(F)(F)c1ccc2sc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)nc2c1	462859244	ZMJPJGCYZQVGQE-UHFFFAOYSA-N	408.289	5.636	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	464619287	NSHVFBRCJWIZPH-SFHVURJKSA-N	406.486	5.214	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CCCC1	465251227	IVGZQOBJLAFHIX-QGZVFWFLSA-N	411.546	6.197	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1	465889587	NOCPYMRUSRRLMA-UHFFFAOYSA-N	421.541	5.386	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)ccc1Cl	467749187	ZWYDPZYQABOGCF-UHFFFAOYSA-N	422.655	5.338	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1	475551138	JOFAVIBWVARFIA-UHFFFAOYSA-N	420.557	5.357	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1	476789842	ABGVIVPFFAQBTA-UHFFFAOYSA-N	405.542	5.421	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)C(=O)NC1(C#N)CCC1	479498183	QELCWVCUIKTAKW-ZIAGYGMSSA-N	421.488	5.035	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1	479778828	QMUBQTVJOXAARS-XUZZJYLKSA-N	414.530	5.217	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(COCCOCC)c1C)c1ccc(F)c(F)c1	481254511	ICLRAPAUWJFUID-JOCHJYFZSA-N	418.484	5.265	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	482050413	PNQIXFQKOJCENH-SGNDLWITSA-N	404.554	5.575	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c(OCCC(C)C)c1	482583348	OCHSDHHZGJBUEY-QGZVFWFLSA-N	406.404	5.024	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1cnc2ccccc2n1	483225596	FPNFPZGXRDCEOX-INIZCTEOSA-N	422.469	5.503	30	20	HKED	
Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C(C)(C)C#N)cc2)n1	484274636	IGNPMHQBJMLVHS-UHFFFAOYSA-N	414.387	5.117	30	20	HKED	
CCc1c(NC(=O)N(CCC#N)CCC(C)C)cnn1-c1cccc(C(F)(F)F)c1	485335583	CRXFBVKOOPTURP-UHFFFAOYSA-N	421.467	5.247	30	20	HKED	
Cc1ccc2ncc(C#N)c(OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2c1	488263694	MHMAXQDSBAZCFU-UHFFFAOYSA-N	419.790	5.105	30	20	HKED	
O=C(NCC1CC(F)(F)C1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	490166599	ZIWFBXSZCVUBGD-LBPRGKRZSA-N	404.301	5.043	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	491994545	CGXXXEFVOVKAIL-ZDUSSCGKSA-N	410.289	5.651	30	20	HKED	
C[C@@H](Cc1ccncc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	493030214	GUYMMBNHZGXNBE-KKSFZXQISA-N	404.901	5.143	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1	494020362	MUHMDASQQKBFLK-VQTJNVASSA-N	421.294	5.251	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	496634530	XHCUKNCUKQLBIA-UHFFFAOYSA-N	418.280	5.040	30	20	HKED	
CCSc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1	504751473	USCJUUXPKCUZJY-MRXNPFEDSA-N	406.507	5.333	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)o2)cc1	505831452	HZUORUFRFALAPJ-NRFANRHFSA-N	401.510	5.261	30	20	HKED	
C[C@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)Nc1ccc(C#N)c(Cl)c1	507242984	ISUGWHVLPDKZCE-VIFPVBQESA-N	406.845	5.198	30	20	HKED	
CC1(C#N)CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1	507824558	JVNRVHOFZTVYNJ-UHFFFAOYSA-N	403.309	5.338	30	20	HKED	
CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F	508874078	QHUYNKKTDKUUML-GFCCVEGCSA-N	416.852	5.002	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ncc(C(C)(C)C)o1	509511826	OQORGEAKXQGDLE-UHFFFAOYSA-N	417.509	5.303	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1Cl	510021822	AKMBNTFMAZGDGQ-UPVQGACJSA-N	415.924	6.364	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	510471482	AUMKYFFQODTXDE-UHFFFAOYSA-N	416.440	5.385	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511577234	QNDNBQGGUVTEEK-MRXNPFEDSA-N	422.344	5.680	30	20	HKED	
C=CCC[C@H](NC(=O)N(CC)CCc1nccs1)c1ccc(C(F)(F)F)cc1	514013512	NYWBJEAVNBSHTD-KRWDZBQOSA-N	411.493	5.443	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1	514109699	SVOTYDUGLSUENC-YADARESESA-N	408.517	5.380	30	20	HKED	
COc1ccc(C(C)=O)cc1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	514650215	JQSRZOIUWLLZEG-KRWDZBQOSA-N	424.566	5.163	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1F	515757261	BVHFZEJBJVNOMO-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1	518620704	NUFJXAJGIVVUGB-UHFFFAOYSA-N	409.461	5.333	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCc2ccco2)c1	519913333	SRRXROZUJLOCBR-UHFFFAOYSA-N	417.509	5.558	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(C#N)c4ccccc4n3)c12	520455477	GWYNFKBSILAACW-UHFFFAOYSA-N	424.508	5.044	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1	521796264	AWGOQGATUXENQZ-UONOGXRCSA-N	419.344	5.249	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1	522389694	HKZCSEPUHNPVJZ-XMMPIXPASA-N	412.489	5.123	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)Nc2cccc(OCCCC#N)c2)c1	522987611	GGLBCJGSCMFZJO-UHFFFAOYSA-N	423.460	5.976	30	20	HKED	
CSCC[C@@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	523027991	RZSFWFSZZHMHPR-OAHLLOKOSA-N	417.962	5.396	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c(C)c2)n1	523393385	SOPATMJIMWMEQZ-HNNXBMFYSA-N	409.536	5.189	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C[C@H]3CCOc4ccccc43)c2)cc1	524555681	LGXZVMMQXXLHCM-OAQYLSRUSA-N	412.489	5.227	30	20	HKED	
C[C@@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1	530435765	NIDIAJNOTOVCPH-ZHRRBRCNSA-N	406.327	5.350	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(F)cc2)CCCC1	533051870	SOUUIFHFSSHHTG-KRWDZBQOSA-N	411.546	5.218	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1OC(F)(F)F	538195732	XWPFLMJSVRXUKA-UHFFFAOYSA-N	413.245	5.040	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1	539050557	MBXNTHDOYLEVNK-MGPUTAFESA-N	401.436	5.039	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1	539229086	BZHPAYAIXIYPNS-CRAIPNDOSA-N	401.963	5.271	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1[C@H](C)C1CC1	540735229	BJJRJRIGOTXXIG-IIBYNOLFSA-N	418.928	5.724	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N[C@@H](c1cccc(F)c1F)C(F)(F)F	542204665	UYEVJSNQVLWCOQ-WBMJQRKESA-N	411.292	5.421	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1cccc(F)c1	542435117	WCRZEXAZEHWMRU-UHFFFAOYSA-N	417.488	5.032	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1	544278048	QLJSZCGYCNNEPI-SVBPBHIXSA-N	423.560	5.231	30	20	HKED	
N#Cc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)ccc1Cl	548294794	WMQHPIWACBIERE-MRXNPFEDSA-N	405.281	5.065	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	553449262	JMFLJGLIPNIXRX-UHFFFAOYSA-N	408.933	5.398	30	20	HKED	
Cc1ccccc1[C@H]1C[C@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1	553551651	YMFJYVQAEVWZBG-XGAFWQRZSA-N	421.972	5.189	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCSc2ccc(Cl)cc21	553665089	JLJQCTJSIZUGJH-CJNGLKHVSA-N	417.987	6.093	30	20	HKED	
N#Cc1cccc(C2(NCc3csc(-c4ccc(Br)cc4)n3)CC2)c1	556505084	FKVTWHUJWPNFHG-UHFFFAOYSA-N	410.340	5.223	30	20	HKED	
N#Cc1ccc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c(C(F)(F)F)c1	562245832	QXLAPRKYOBZPLJ-UHFFFAOYSA-N	421.850	5.469	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1	568953027	KIEDNCYXRRMHSE-MRXNPFEDSA-N	423.438	5.680	30	20	HKED	
N#CCc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12	570847818	ANNIHKOAHDREJP-UHFFFAOYSA-N	416.531	5.155	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	580766786	QQSDQMGHJFYNOW-ZDUSSCGKSA-N	406.507	5.183	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1OCCc2sccc21	584305402	OYRXVSKOGUYTNB-IVZQSRNASA-N	404.491	5.301	30	20	HKED	
CCOC(=O)c1sc(NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c(C#N)c1C	604394749	HSCHFDLNEJPWKE-NSHDSACASA-N	424.444	5.256	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CCc2cccc(OC3CCCC3)c2)c1	609073892	HFGXBSGTIFGGOK-UHFFFAOYSA-N	400.425	5.052	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCSc3ccccc3)cc2F)c1	609106257	JAOOGLCSCPUTEW-UHFFFAOYSA-N	406.482	5.397	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1	609385714	FIEBPBSSGXDVKW-UHFFFAOYSA-N	403.507	5.535	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1ccccc1	609404062	RPXZBNLBYREPKO-RBUKOAKNSA-N	423.582	5.267	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(C4CC4)nn3-c3ccccc3)cc2)nc1	609517557	WXDPMFVCEWQKED-UHFFFAOYSA-N	421.460	5.061	30	20	HKED	
COc1cc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1	609742954	DRZZFFYNNWSINM-ZOKDDAQRSA-N	423.509	5.295	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)c2c(Cl)cccc2Cl)c1C	610053429	AYOKUAKEMMCKHQ-CYBMUJFWSA-N	413.308	5.410	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)cc2)c1	610174140	MPMKJNPJRAUFNK-LEWJYISDSA-N	404.416	5.158	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCCC2)n1	610321022	CSEODVHDRIJMMG-UHFFFAOYSA-N	419.510	5.102	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cn2)c1	610629307	BAWYBBURFJUCFR-DHIUTWEWSA-N	423.476	5.049	30	20	HKED	
C[C@H](NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1	610664082	NTOIXENGCPNHKG-LSDHHAIUSA-N	401.432	5.573	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	611094076	BILLSQFYDWLOIQ-UHFFFAOYSA-N	404.297	5.036	30	20	HKED	
Cc1cc(-c2cc(C(=O)N3CCC[C@](C)(C#N)C3)c3cnn(C(C)C)c3n2)c(C)s1	612242167	AHQFZBCLDQBHHN-HSZRJFAPSA-N	421.570	5.123	30	20	HKED	
Cc1ccc(F)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346277	GLRAREMKFDWLTO-HNNXBMFYSA-N	405.281	6.055	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)s1	613346909	RSHZOGYZWWJYFY-AWEZNQCLSA-N	407.347	6.285	30	20	HKED	
C[C@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1cccc(C#N)c1	616044493	QLDPDCRTCAOFJE-KSFYIVLOSA-N	417.488	5.085	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)COc3cc(Cl)ccc3Cl)n2)cc1	619564070	NJPKVSQAVLZMQF-UHFFFAOYSA-N	404.278	5.006	30	20	HKED	
C#Cc1cccc(NC(=S)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)c1	726470573	ZRELYMUFFZVFOQ-UHFFFAOYSA-N	414.534	5.107	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](OC3CCCC3)c3ccccc3)n2)cc1	727039781	ZGTUXPNJAUTOSY-XUZZJYLKSA-N	416.546	5.995	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)NCCSc2ccccc2)c1	728227391	INGNUPHZQOQPBN-UHFFFAOYSA-N	402.588	5.341	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	728463777	AAXHVVHGKBHQOA-UHFFFAOYSA-N	401.422	5.171	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C#N)cc3)c3ccccc3C2=O)cc1	728695772	GKJNRZQJOMXKPP-LSPPGFKNSA-N	408.457	5.014	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	729887870	DOFMQJGFXJSIRM-HNNXBMFYSA-N	420.843	5.901	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)ccc2c1	730416125	ASMRKCXEJZRIJF-LBESIHQVSA-N	402.450	5.487	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1	730421636	MXROUTFHBDOSQO-HNNXBMFYSA-N	411.458	5.272	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12	730486953	ZRGUZCUDDDPMSU-UHFFFAOYSA-N	408.461	5.128	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)ccc1OCc1ccc(F)cc1	730589420	IFSVKATUPYJTSQ-XBXARRHUSA-N	412.438	5.069	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)Nc1ccc2c(c1)OC(F)(F)O2	730954934	OXGQWHCDUDDGOZ-NSHDSACASA-N	407.467	5.069	30	20	HKED	
CC(C)Oc1ccc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	731040058	ICOOITVKPYYYHO-QGZVFWFLSA-N	414.596	5.740	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1	731645387	LBWDKNCFGSYPIE-QGZVFWFLSA-N	419.403	5.047	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1OC	733230770	ULCXINZFBKOKIF-PAGBRTJLSA-N	406.526	5.003	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc3ccccc3c2)C2CC2)c1	733852096	RXZCNDKKRKREOD-DEOSSOPVSA-N	413.521	5.395	30	20	HKED	
COc1cc(COC(=O)c2ccnc3ccccc23)ccc1OCc1cccc(C#N)c1	735126306	JHGBTUSAFSZAMW-UHFFFAOYSA-N	424.456	5.051	30	20	HKED	
Cc1c(-c2ccccc2)sc2ncn(Cc3cc(Cl)ccc3OCC#N)c(=O)c12	735230646	NXVQAKLQWVIPJT-UHFFFAOYSA-N	421.909	5.038	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CSCc3ccc(Cl)cc3Cl)[nH]c12	735787866	AAPCDOZKXRUMLB-CQSZACIVSA-N	404.322	5.288	30	20	HKED	
CCCN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	735913585	GNRBIIIKRHVARJ-MRXNPFEDSA-N	411.477	5.425	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2cccc(OCc3ccccc3C#N)c2)cs1	736795081	DYLSCLBQOJTEFQ-INIZCTEOSA-N	422.506	5.048	30	20	HKED	
CC(C)(C)n1nc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1C1CC1	739595005	CBRWWUISIPJWRH-UHFFFAOYSA-N	404.539	5.046	30	20	HKED	
COc1ccc(CN[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc1C#N	742384567	IIEYSYJXSQQXFS-QHCPKHFHSA-N	410.489	5.446	30	20	HKED	
C[C@H](NCc1ccc(OCC#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	743475529	VDYJVEDZYACXQC-LBPRGKRZSA-N	402.338	5.477	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cccc(C3SCCS3)c2)cc1OC	744289197	ZHFJACNGPZTBDO-NTMALXAHSA-N	413.564	5.391	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)ccc1OC	749450782	BVFKTTBUKZDELR-HCSGDKDASA-N	420.509	5.081	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3cccc(F)c3)CC2)cc1	752654206	RKFCYSKWCCUSDC-UHFFFAOYSA-N	421.516	5.051	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C)c1ccncc1	759579058	ANNLFHZJRMDOCI-YLJYHZDGSA-N	406.555	5.533	30	20	HKED	
Cc1sc2ncn(N=Cc3cnc(C4CCC4)s3)c(=O)c2c1-c1ccccc1	760234295	FCCDCMYRGZEAOJ-UHFFFAOYSA-N	406.536	5.040	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)NCc1cccc(O[C@H](C#N)CC)c1	764228783	DYZYPEYBZFIDII-KRWDZBQOSA-N	416.319	5.014	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)Nc1ccccc1-c1ccccc1	778547333	LFRWZKJIQNIHCG-OAHLLOKOSA-N	404.853	5.063	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCC2	780484888	GLWKYAWGJJIGHW-GOTSBHOMSA-N	413.525	5.319	30	20	HKED	
CCCN1C/C(=C/c2scnc2C2CC2)C(=O)/C(=C\c2scnc2C2CC2)C1	782301140	KHOSVINGVHOOCX-JCDHFMOQSA-N	411.596	5.116	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc2cccnc12	783804263	MDBFZPNXFVCSED-UHFFFAOYSA-N	414.321	5.279	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1	787431546	DOAKVAAQOZHQTI-KBPBESRZSA-N	422.312	5.215	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C(F)(F)F)s1	796794060	XRODGJRZDQXHED-JTQLQIEISA-N	407.200	5.035	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)s1	797571630	TUKQHZLFVSAMHS-HZSPNIEDSA-N	408.445	5.319	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCCCC1(C#N)CCOCC1	800102960	HDPNUMYXGJEKTM-UHFFFAOYSA-N	404.919	5.029	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1coc(C2CCCCC2)n1	802123277	JFSDWIDHRDYSMI-UHFFFAOYSA-N	409.273	5.050	30	20	HKED	
Cc1ccc(Cn2nc(C)c(/C=C3\C[C@H](C(=O)O)c4ccccc4C3=O)c2Cl)cc1	806562100	FWTOAXGKAIBXSM-RKPWUKJMSA-N	420.896	5.040	30	20	HKED	
CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)NCc2ccc(OCC#N)cc2)nc1	808705467	HHGYIWIFIRVLBV-DEOSSOPVSA-N	419.956	5.143	30	20	HKED	
CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	812053359	UBWPXODTSFGCBG-CALCHBBNSA-N	421.488	5.549	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2)ccn1	813278840	QBFLWSZBYLPFSL-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
Cc1c(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)sc2ccc(C#N)cc12	817863212	XOTPDTGZEJWRSE-JTQLQIEISA-N	423.847	5.640	30	20	HKED	
C[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl	820846743	LBMIXJZBJQBVCC-MRVPVSSYSA-N	400.725	5.763	30	20	HKED	
N#Cc1ccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1Cl	904491405	GOBJSSAWXYBKCG-UHFFFAOYSA-N	411.852	5.327	30	20	HKED	
CC(=NNc1ccc2ccccc2n1)c1ccc(OCC(=O)Nc2ccccc2C)cc1	916595169	ZDZNEUJDMKAELR-UHFFFAOYSA-N	424.504	5.397	30	20	HKED	
N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Cl	916905392	KJIPFHGHXHCTFA-FQEVSTJZSA-N	402.881	5.210	30	20	HKED	
CC(C)Oc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	918103801	HFCJTSMKDJEHRT-UHFFFAOYSA-N	416.546	5.568	30	20	HKED	
CCCN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)[C@@H](C)c1cc2ccccc2o1	919723644	GKVIOWDCBTVQRO-PXNSSMCTSA-N	424.504	5.443	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)[nH]c1C	920252839	ZQBCTEAPIOSSOI-UHFFFAOYSA-N	424.529	5.969	30	20	HKED	
CC[C@H](C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1ccccc1	1787717586	XDGZPUBEHHSOQQ-YADARESESA-N	417.553	5.254	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccs3)CCC2)cc1	1789451942	XCHOFQISLNLAFJ-OAQYLSRUSA-N	408.567	5.193	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1	1791588819	YZGFEILJHQEQIB-UHFFFAOYSA-N	408.464	5.065	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1	1828010999	GNHYRDCQUIPMAR-NLFFAJNJSA-N	418.581	5.285	30	20	HKED	
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1	6345152	ATXQOFXAYYWANY-UHFFFAOYSA-N	414.465	5.038	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(=O)c2cccs2)c1	7285029	WXYOJEZBBBSKTO-UHFFFAOYSA-N	416.955	5.544	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O	9085700	WKWNOUNRWIHRKG-UHFFFAOYSA-N	409.898	5.183	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccccc2CC)cc1	10174318	LBKOAASSCWDIDJ-UHFFFAOYSA-O	420.602	5.105	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)c(C)c2)c1	11163459	RVAUFHHPHZIEQS-UHFFFAOYSA-O	415.582	5.439	30	20	HKED	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(CC#N)cc2)c1	15029885	UIWGBTRHFBIWFB-UHFFFAOYSA-N	410.452	5.305	30	20	HKED	
C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@H]2c2ccccc2)c1=S	22098235	KIBMFVAVVACKDK-FQEVSTJZSA-N	424.545	5.113	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1C#N	27092552	FOIYIAARVKQNAS-UHFFFAOYSA-N	406.338	5.132	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	48161133	CXHHYQNMRUSILH-LJQANCHMSA-N	418.324	5.278	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1F	62243237	MZFJCERWMQAWKY-INIZCTEOSA-N	419.456	5.246	30	20	HKED	
COc1ccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1	97466672	CQADCIVGOSPJHX-SFHVURJKSA-N	421.909	5.372	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(F)cc1Cl	109225133	ADSKBNKHXPZUOY-AWEZNQCLSA-N	409.848	5.582	30	20	HKED	
N#Cc1ccc(Oc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)c(Cl)c1	112535052	KUYNWZQJRQYPJT-UHFFFAOYSA-N	416.655	5.415	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1=S	116846931	JRZBFSRBDWECJB-UHFFFAOYSA-N	408.493	5.118	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1	195662817	YITXLEVPBYDPFC-CXAGYDPISA-N	415.440	5.594	30	20	HKED	
C=CCN(C(=O)CSc1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1	302645386	CCJYXASDHNWLQA-UHFFFAOYSA-N	402.491	5.400	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cccc(Cl)c1	303286489	LMIGUIFCBFXELI-CQSZACIVSA-N	410.930	5.338	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cnc1Cl	303291496	MNBAXRWPJBDFEG-JTQLQIEISA-N	410.724	5.002	30	20	HKED	
COCc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1F	303332136	WRIHQJMHAHUSCC-UHFFFAOYSA-N	419.456	5.266	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)s1	430603623	YVKHCKUXLOENEB-LJQANCHMSA-N	401.491	5.595	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)nc(-c2ccc(Cl)cc2)n1	430631289	UHQGBHDXPHUEGC-HNNXBMFYSA-N	410.930	5.350	30	20	HKED	
COc1ccccc1Oc1ccc(CNC(=O)c2cccc(SCC#N)c2)cc1	430692527	SQZZIUDIUCQXME-UHFFFAOYSA-N	404.491	5.033	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	437616427	SIJGWZBJLVCRSH-GMAHTHKFSA-N	422.488	5.798	30	20	HKED	
COc1ccc2[nH]cc(C3=CCN(C(=O)N[C@H](CCC#N)c4ccccc4)CC3)c2c1	438837296	PXARIMJAMOGRCD-HSZRJFAPSA-N	414.509	5.020	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	438993298	JTDWPEZYGBHZIT-XMMPIXPASA-N	409.489	5.096	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1c(C)noc1Cl)c1ccc(C(F)(F)F)cc1	441568430	QTRRTFQVAMFPMW-INIZCTEOSA-N	400.828	5.412	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12	444001141	GZQYCDRWTZPHND-UHFFFAOYSA-N	411.465	5.088	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)c2ccccc21	444364243	PVCIKQBRDRTVRR-JOCHJYFZSA-N	415.541	5.064	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1Cl	447323598	HHMLZFYPVMSDSQ-KGLIPLIRSA-N	422.381	5.677	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2)n1C	448351828	BJHNYHOMDCJRJS-UHFFFAOYSA-N	424.464	5.099	30	20	HKED	
N#Cc1ccc(NCC(=O)Nc2ccccc2Cc2ccccc2)cc1C(F)(F)F	462172988	BDUAEUSHDFVJGI-UHFFFAOYSA-N	409.411	5.218	30	20	HKED	
O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	464570162	OLAYLLHGOYJHFL-OAHLLOKOSA-N	422.275	5.498	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	464855334	HGLABWGUSOLKOZ-KRWDZBQOSA-N	413.477	5.108	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1Cl	466072587	BRVVSPDFPHMVHC-HSZRJFAPSA-N	419.912	5.151	30	20	HKED	
Cc1nc(C)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	466120629	ZZAVPDNCIXQBJO-SFHVURJKSA-N	410.930	5.391	30	20	HKED	
O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@H]1CCC[C@@H](C(F)(F)F)C1	468063083	YGSGZNBZVKZVJF-NWDGAFQWSA-N	411.361	5.361	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCC4(CCCCC4)CC3)ccc21	470537150	IXHLYJTTYWWGSR-UHFFFAOYSA-N	422.573	5.238	30	20	HKED	
N#Cc1ccnc(Oc2ccc(-c3nc4ccccc4s3)cc2Cl)c1[N+](=O)[O-]	471625931	MHGJBVJSQPISEN-UHFFFAOYSA-N	408.826	5.584	30	20	HKED	
C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)c(Cl)c1	471878358	SERNXZQKXHVAMS-AWEZNQCLSA-N	403.309	5.039	30	20	HKED	
N#CC[C@H](CC(=O)NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccc1	474690193	JHNUBOWSPSGWQU-JOCHJYFZSA-N	402.469	5.108	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCC(C(F)(F)F)CC1	475200790	BWYIUJUUGUPJIQ-HJOIGYKYSA-N	407.480	5.439	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccccc2)CCCCC1	477635268	KEQHIDHAXNZXDO-LJQANCHMSA-N	407.583	5.469	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(Cl)c1	480877598	DEVLJUUDIKQLRD-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1csc(-c2ccoc2)n1	481363239	JGISJJDBEDSICL-UHFFFAOYSA-N	410.524	5.052	30	20	HKED	
N#Cc1cccc(OCCCSc2nnc(-c3ccncc3)n2C2CCCCC2)c1	481364885	BOLMCSOTFBWDCV-UHFFFAOYSA-N	419.554	5.278	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1	482165288	CFHDVSWIYCQBIK-AZUAARDMSA-N	410.583	5.571	30	20	HKED	
CCc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(Cl)cc1	485343091	GIQDBNFHRLDQGR-UHFFFAOYSA-N	423.904	5.415	30	20	HKED	
CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2	492111665	VNBUYBCNWSVSPM-HTXNQAPBSA-N	411.505	5.106	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2	504560188	FQYQHESBZLHFEN-BUHFOSPRSA-N	405.860	5.110	30	20	HKED	
Cc1ccccc1[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	504877102	RSYZZRGYTXNTMU-QFIPXVFZSA-N	412.558	5.789	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	504971090	NEIXLQXSHOTISU-UHFFFAOYSA-N	409.383	5.083	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	505324543	HTLQTTMWPVQIAR-IOMROCGXSA-N	403.551	5.933	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(F)cc1C(F)(F)F	505429729	SWMNBLJYZAHDMN-CYBMUJFWSA-N	401.228	5.156	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2)cc1	505639088	PBZFOJLROCPRGA-QFIPXVFZSA-N	401.853	5.193	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCc2ccc(F)cc2)cc1	508277252	ZQEAXIAIZCLXHX-UHFFFAOYSA-N	419.456	5.205	30	20	HKED	
C=CCn1c(SC[C@H](O)COc2ccccc2C(C)C)nnc1-c1cccc(C)c1	508392009	NFXJUNDFABPUKL-HXUWFJFHSA-N	423.582	5.095	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1	508733390	LXNLUDNJHFHUCV-UHFFFAOYSA-N	421.010	5.194	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cccc(C#N)c1C	509332398	QYXJOXRBRYHSAF-UHFFFAOYSA-N	403.869	5.333	30	20	HKED	
C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510004917	KYZYIPOQAGCUGB-FOIQADDNSA-N	421.953	6.208	30	20	HKED	
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@](O)(C(F)(F)F)CC1	512557443	RENTWFFUFRBCCF-HZMBPMFUSA-N	423.319	5.565	30	20	HKED	
Cc1cc(C)cc(OCc2noc(CNc3ccccc3S[C@@H](C)CC#N)n2)c1	513784856	AMWUDEGMZYPXDW-KRWDZBQOSA-N	408.527	5.272	30	20	HKED	
N#C[C@@H](NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccc(F)cc1	514770388	CSQVXVFXRVXVLR-HSZRJFAPSA-N	415.443	5.427	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc3sc4ccccc4c3s2)cc1	514967703	PAGBSGXBGWJDIE-UHFFFAOYSA-N	407.520	5.676	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3cc4ccccc4o3)c2)c1	515675112	WSDWEWGJCMJAJB-UHFFFAOYSA-N	409.445	5.128	30	20	HKED	
CN(C(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	517449823	KFZOQQUANAKLSZ-BJHJDKERSA-N	400.338	5.107	30	20	HKED	
Cc1[nH]nc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1-c1ccccc1	518049569	KPKMWJFIQGIPNO-UHFFFAOYSA-N	412.424	5.441	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1cccs1	518147534	DBRQDNNFPPXULD-MRXNPFEDSA-N	408.548	5.831	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)N(CCC#N)c3ccc(OCC)cc3)c12	518177376	NCBQYKXDBBOLSG-UHFFFAOYSA-N	418.497	5.012	30	20	HKED	
CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	518255574	FMURVNUTKOPXOP-KRWDZBQOSA-N	424.570	5.387	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)c1ccccc1Cl	518255995	MHJHRCPSPQLUQE-OAHLLOKOSA-N	401.963	5.834	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519051064	NDXSZQOIIQHCKB-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(-c2cc(O)nc(C)n2)cc1	519152685	AGYGMROZWLFWLX-UHFFFAOYSA-N	414.918	5.093	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C	519181082	WGYZEUWIPUKGRF-AWEZNQCLSA-N	424.501	5.411	30	20	HKED	
C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2NC1=O	519978405	CUXJEIFTUZTGHV-AWEZNQCLSA-N	415.474	5.036	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)cc1	519992017	FHFLBIIPFYIOSK-UHFFFAOYSA-N	411.505	5.201	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1cccnc1	520197714	MNCOWONUAWLSIW-JTSKRJEESA-N	402.523	5.387	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1	520624306	ZSRBEEGQOQCAJR-BXKMTCNYSA-N	417.484	5.050	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2cccnc2)c1	521725511	DWOCVJMBDXFMLV-KRWDZBQOSA-N	403.507	5.165	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC3(c4nccs4)CCCC3)cc2)cc1	522514530	ITCPMFSOSBZOIA-UHFFFAOYSA-N	403.507	5.201	30	20	HKED	
Cc1nc(SCC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c(C#N)c(C)c1C	523956049	WISRFCMCMCKKTD-FQEVSTJZSA-N	421.591	5.132	30	20	HKED	
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	524810068	NEFLUMHTKPANOL-UHFFFAOYSA-N	407.539	5.107	30	20	HKED	
C[C@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccccc1C(F)(F)F	525557809	FHLNJWZOXGVELV-MRXNPFEDSA-N	412.411	5.897	30	20	HKED	
CCN(C(=O)Nc1ccc(Br)cc1Cl)[C@H](C)c1ccc(C#N)cc1	525778322	GPVZZFRPPMQGBF-GFCCVEGCSA-N	406.711	5.589	30	20	HKED	
COc1cc(CN(C)[C@H](C)c2cccc(O)c2)ccc1OCc1cccc(C#N)c1	532702074	UCRTYTFKTYLZAF-GOSISDBHSA-N	402.494	5.044	30	20	HKED	
CCC(CC)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C	533869605	WDLICIDGFXLYGK-GOSISDBHSA-N	408.527	5.175	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(-c2cccnc2)s1	534873670	AXBCGMJKLPWFFP-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1ccccn1)C(C)C)c1ccc(C(F)(F)F)cc1	536651976	CQSDZEAOHZFICE-FQEVSTJZSA-N	405.464	5.728	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1cnc2cc(C)nn2c1C)c1ccc(C(F)(F)F)cc1	539052424	ZVOREMCNQFXCKC-FOIQADDNSA-N	402.464	5.723	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)CC1	539931039	FNGGJIYCUSLMEA-WMXNZVEGSA-N	420.622	6.084	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@H](C#N)c1nc2ccccc2o1	540082097	VSDHRIHLZJVIHR-AWEZNQCLSA-N	410.355	5.035	30	20	HKED	
C=CCC[C@H](CCC)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1	540188123	PYXXJSQLENAUIX-AVRDEDQJSA-N	407.526	5.182	30	20	HKED	
C[C@@H](NC(=O)C(=O)Nc1cccc2ccccc12)c1ccc(-c2cccc(C#N)c2)cc1	541138673	ZOKASUJFRFLBDZ-GOSISDBHSA-N	419.484	5.194	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2cccs2)o1	541190312	YQTWVWZZDOPCRY-UHFFFAOYSA-N	401.447	5.628	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	541705026	XDCLMECNTDMWIN-KBXCAEBGSA-N	410.930	5.377	30	20	HKED	
CCN(C(=O)CCc1cc(F)ccc1Br)[C@H](C)c1ccc(C#N)cc1	542223478	SZVAHJWRWVUQPG-CQSZACIVSA-N	403.295	5.002	30	20	HKED	
FC(F)(F)Oc1ccc([C@@H](NCc2nc(C(F)(F)F)cs2)C(F)(F)F)cc1	542944415	PSNZFQLUAVTHKD-LLVKDONJSA-N	424.288	5.454	30	20	HKED	
C[C@@H](NC1CCN(CCC(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543034429	KQNDXZAJZGEKTR-QGZVFWFLSA-N	401.476	5.293	30	20	HKED	
N#CCc1ccc(CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)cc1	544076411	ZNCFVXIQUMNWHP-UHFFFAOYSA-N	407.495	5.561	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3csc(C4CC4)n3)s2)c(C(F)(F)F)c1	544662649	ZMRATLYEZFLOFI-UHFFFAOYSA-N	420.485	5.570	30	20	HKED	
N#Cc1ccc(OCc2ccc(-c3nc(-c4ccccc4OC(F)F)no3)o2)cc1	546296732	ZMBOQJBDBWSJGK-UHFFFAOYSA-N	409.348	5.049	30	20	HKED	
N#Cc1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)ccc1Cl	552765148	DHIZWPAKLULPMN-LJQANCHMSA-N	422.834	5.128	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C2CC2)nc2ccc(OC)cc12	553117573	IVWRNBFBSRTXNC-UHFFFAOYSA-N	418.541	5.117	30	20	HKED	
CC(=O)Nc1ccccc1-c1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1	568689777	YQTYGBNCFAIONV-UHFFFAOYSA-N	414.396	5.165	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H]1[C@@H]1CCCO1	568690598	FTOUIPGWHDASFK-LEWJYISDSA-N	410.901	5.034	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc(C[C@H](CC#N)c2ccccc2)n1	578556365	WFSYJTYSLGOYQN-PZJWPPBQSA-N	409.917	5.521	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)C1(c2cccc(C(F)(F)F)c2)CC1	589311832	VTZFSHRLOFIXOE-UHFFFAOYSA-N	405.313	5.211	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nc3cc(F)ccc3o2)c1	590563951	ROTDYAGJOQWQHZ-UHFFFAOYSA-N	421.815	5.214	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cccs1)c1nc2cc(F)ccc2s1	592973736	JTAAWPLEOJKWBJ-MRXNPFEDSA-N	424.547	6.279	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2ccc(F)c(Br)c2)ccc1OC	594784762	CGLFPUSQLKGQCY-CQSZACIVSA-N	408.311	5.403	30	20	HKED	
C[C@@H](Sc1ccccc1Cl)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	603961851	LOCAOIBJPMZJEW-CYBMUJFWSA-N	412.864	5.283	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c2)no1	608552771	JHFIASIPLXKMJG-LJQANCHMSA-N	410.477	5.363	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccccc3F)cs2)c1	608806834	VQTPJFAKQCPBDI-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
CC(C)(C)c1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1	608862375	BQINVJMGVKSSQV-UHFFFAOYSA-N	417.488	5.019	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3SCCC#N)ccc21	609378750	LSCWUVSCTQLJSL-UHFFFAOYSA-N	407.539	5.163	30	20	HKED	
Cc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1	609553915	NDWLEYAPZFUZKI-UHFFFAOYSA-N	406.873	5.072	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)cc1	609791143	AZRGWYYVMVHBJN-HSZRJFAPSA-N	418.493	5.420	30	20	HKED	
C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1	609994831	YYWOSUJICHVRAD-UNMCSNQZSA-N	416.569	5.028	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](Cn3cccn3)c3ccccc3)c2)cc1	610167286	ZDNLNYFBZLXMRH-DEOSSOPVSA-N	423.476	5.110	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)cc2)c1	610174143	MPMKJNPJRAUFNK-SFTDATJTSA-N	404.416	5.158	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	611548685	FAWLFODIFFAKQN-DZGCQCFKSA-N	406.379	5.293	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1C(C)C	613405036	ZYZVRBZJKJESPA-OAHLLOKOSA-N	405.445	5.804	30	20	HKED	
CC(C)(C)c1ccc([C@H](NC(=O)N(CCC#N)Cc2ccco2)C(F)(F)F)cc1	614240079	FPJSOWXZGPUTSO-SFHVURJKSA-N	407.436	5.306	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c(Cl)c1	614675143	IDKHVKKRUQNOEZ-UHFFFAOYSA-N	423.712	5.213	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)cs1	618798618	ZTDIRAOQGSEVDB-SZNDQCEHSA-N	402.523	5.038	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	618841035	OQDJPJWNKWNFDY-IIBYNOLFSA-N	416.550	5.380	30	20	HKED	
O=C(Nc1cc(Cl)ccc1OC(F)F)c1cc(F)c(C(F)(F)F)c(F)c1	622733529	CJMFHOARQPBTBN-UHFFFAOYSA-N	401.665	5.491	30	20	HKED	
Cc1ccc2snc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1	645955556	IVMRDJSUGAXOSL-GFCCVEGCSA-N	417.437	5.723	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	685668358	PSVLROUCACNWGG-LBPRGKRZSA-N	409.305	5.363	30	20	HKED	
COc1ccc(O)c(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)c1	725826623	HBEORHIMDFOCPI-UHFFFAOYSA-N	404.495	5.217	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1	726475783	UCJJMLOAFPZYCB-UHFFFAOYSA-N	402.567	5.100	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)sc1-c1ccc(F)cc1	726733281	UQBDAYIZHRCBOQ-HNNXBMFYSA-N	412.873	5.477	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cs1	727685386	LKPDKDIBCCATQJ-RAXLEYEMSA-N	424.497	5.130	30	20	HKED	
CCOc1cc(/C=C2/CCc3nc(-c4ccc(OC)cc4)sc3C2=O)ccc1O	727780277	JDWDTWLVERDKDF-VBKFSLOCSA-N	407.491	5.136	30	20	HKED	
CCc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	727978506	HCZYUYCGSMDKMJ-UHFFFAOYSA-N	401.535	5.817	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2F)c1	728187008	PGORKRAWHYBBLJ-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
Cc1csc(Nc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)n1	729333458	GCRCINDGUZRQIN-UHFFFAOYSA-N	410.502	5.986	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1	730155906	NAQYJXQKWDBFLN-AWEZNQCLSA-N	411.983	5.801	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	730687911	QIGMKHUGDHRODU-OKZBNKHCSA-N	401.293	5.007	30	20	HKED	
COc1ccccc1C[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	730692032	RKLPKDUQRVYBIA-UZLBHIALSA-N	415.518	5.136	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1	731846460	ZVPPWTBRXGBJQY-GOSISDBHSA-N	423.582	5.027	30	20	HKED	
C[C@@H](Nc1ccc(OCC2CC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	733320624	AMCOOUZANXNVHI-OAHLLOKOSA-N	409.555	5.117	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C(C)(C)c1ccc(F)cc1	734979139	KFFCIKKITYQGHD-UHFFFAOYSA-N	417.410	5.462	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=S)Nc1ccccc1C#N	737462227	YVJBXSFGQDENCN-UHFFFAOYSA-N	415.497	5.368	30	20	HKED	
N#CCN(Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S)C1CCCC1	738256059	GOLSHNNASUBUGD-UHFFFAOYSA-N	415.994	5.575	30	20	HKED	
O=C(/C=C\c1nccn1Cc1ccccc1)c1ccc(SCC(F)(F)F)cc1	741845364	ZSYQMNBRJGFYFE-KHPPLWFESA-N	402.441	5.482	30	20	HKED	
O=C(Nc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1)OCC(F)(F)F	742588473	DECOSPWKXUQBCI-UHFFFAOYSA-N	424.272	5.208	30	20	HKED	
CC(=O)Nc1ccc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	742839137	MPNHBIWIVOMCCO-UHFFFAOYSA-N	409.257	5.041	30	20	HKED	
C[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1cccc(C#N)c1	743777232	QRHFIZRDFPSSPF-JTQLQIEISA-N	419.731	5.680	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C/c2c(OC(F)F)ccc3ccccc23)c1)C(=O)O	745020511	FZWIPFWJCGWXOT-PLSXKVAHSA-N	412.388	5.189	30	20	HKED	
C=C(C)COc1cc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)ccc1OC	747041366	PJFYUVAPVAKUCQ-VCHYOVAHSA-N	417.577	5.113	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2ccc(C#N)cc2)C(=O)c2ccccc2)c(Cl)c1	747155313	WAJGNUILQAQSET-STZFKDTASA-N	414.892	5.734	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1	750442614	IJVNWMFZFAHAHY-FHLIZLRMSA-N	410.436	5.117	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1F	756927024	ZCSPTWFSESBODJ-HXUWFJFHSA-N	420.871	5.980	30	20	HKED	
C#CC[C@H](NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	756995388	HMJJVZNDPHWULJ-QHCPKHFHSA-N	416.477	5.037	30	20	HKED	
C#CC[C@H](NC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl)c1ccccc1	757779959	ZAXLRQZVVGSRCZ-VQTJNVASSA-N	412.965	5.112	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(Sc2ccc(Cl)cc2)c1	759190559	BBSRTCVEONOWHB-INIZCTEOSA-N	422.937	6.343	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])cc1F	762993615	CJEDKNLBCFDUDT-GFCCVEGCSA-N	417.849	5.151	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	767409169	NMRFNLYEWXPXNY-GOSISDBHSA-N	407.539	5.295	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1Cl	768473040	NTSNCAXAKSNNIH-UHFFFAOYSA-N	418.953	5.635	30	20	HKED	
C#CC[C@@H](NCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)c1ccccc1	775399455	RQUVTOICKJZFBN-HSZRJFAPSA-N	417.578	5.607	30	20	HKED	
C=CCC[C@H](C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1	777705726	BOVNDNKPRIZOEI-CBNMVNINSA-N	400.563	5.031	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1	778255089	AQVYHSBSALIRPH-FYYLOGMGSA-N	415.468	5.517	30	20	HKED	
C=CC[C@@H](C(=O)O[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1ccccc1	778429286	VWZJZMAVOGBZEY-FXAWDEMLSA-N	412.555	5.100	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)Nc3ccccc3O[C@H](C)C#N)cs2)cc1	780149475	PQRWFLUBVQPPQG-OAHLLOKOSA-N	407.495	5.142	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	782775415	KNCUKALJQIFOSH-UHFFFAOYSA-N	424.888	5.464	30	20	HKED	
N#C[C@H](COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1	784851182	IETTUVSUXZALOM-CQSZACIVSA-N	418.346	5.039	30	20	HKED	
CC(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl	786446925	FDFPHPUKUWJZRA-CQSZACIVSA-N	409.700	5.731	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1ccc(Cl)nc1C(F)(F)F	786761340	OURIIOSKWOSBJJ-UHFFFAOYSA-N	404.779	5.425	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl	800593014	RDYXQYJBAHIXHM-UHFFFAOYSA-N	409.667	5.382	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(F)c(Br)c(Cl)c1	806722878	UJMRYJTYEXEHNE-VIFPVBQESA-N	412.646	5.176	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2csc(-c3ccc(Cl)cc3)c2)c1OC	815436006	MLIIQIZSFLFSIW-KRWDZBQOSA-N	412.898	5.080	30	20	HKED	
COC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1	912988932	WMXUHFGYULUJSD-AWEZNQCLSA-N	411.527	5.201	30	20	HKED	
COc1cc(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)ccc1OC(F)F	913617922	ZXUDOZHUTRYARM-GQCTYLIASA-N	421.831	5.172	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C)n1	915100739	CSMUWHSDBMJYFZ-QGZVFWFLSA-N	418.547	5.121	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)c1	915106897	HXMQBYUZLIEUJL-INIZCTEOSA-N	422.460	5.282	30	20	HKED	
CN(CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCCCC1	915353147	LNWMSSJWUDIKBP-DEOSSOPVSA-N	404.558	5.118	30	20	HKED	
C(=NNCc1cccc2cccnc12)c1cn(-c2ccccc2)nc1-c1ccccc1	915959182	HSODDVDHPCTBRJ-UHFFFAOYSA-N	403.489	5.211	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	916977476	SIWAAHAQZOTTHD-AWEZNQCLSA-N	419.358	6.085	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1	919966056	VIJYLIVEOPTING-AZGAKELHSA-N	409.533	5.193	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc(C)c(C)s3)cc2)CCC1	1789985713	DFOFYVWNVCVACD-HXUWFJFHSA-N	423.582	5.276	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]1	1815332559	PNVZQUWIWFCALK-MRXNPFEDSA-N	424.536	5.076	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccccc2)n[nH]1	1816792314	HQWVEWIQVCUAEV-OAQYLSRUSA-N	422.573	5.027	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)CC1	1828827065	QXWWDLIEDIADHJ-WXFUMESZSA-N	412.618	5.143	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1	10540004	QPMVOOBWOXAUGG-UHFFFAOYSA-N	412.921	6.017	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2c(C)cccc2C)c1	11153635	PCUICGNDZUVKBD-UHFFFAOYSA-O	415.582	5.439	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccoc1C	23519184	URHHGKHYFCJFRB-AWEZNQCLSA-N	416.934	5.114	30	20	HKED	
Cc1nc(C)c(C#N)c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1	25456391	QWVPCTUNUHKSBU-UHFFFAOYSA-N	406.458	5.400	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1	55011532	URHCAQUQVPEEPM-ZDUSSCGKSA-N	408.976	5.055	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(CC#N)cc2)cc1	57820993	KYWFTSDJQNPSMN-UHFFFAOYSA-N	406.489	5.225	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)[C@H](C)c1ccc(C#N)cc1	58907867	DLBWXEZHUOSTTM-MRXNPFEDSA-N	422.529	5.422	30	20	HKED	
COc1ccc(CCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	61167348	NGWPROAXKWVXSP-UHFFFAOYSA-N	402.519	5.355	30	20	HKED	
Cc1cc(C)cc(OCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	65700474	VEFMAHPLGOVEIJ-UHFFFAOYSA-N	416.546	5.276	30	20	HKED	
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O)C[C@@H]1O	110344749	HKXBNHCUPKIYDM-CRQFQJQMSA-N	412.658	6.612	30	20	HKED	
N#CCCn1cc(CNCc2ccccc2OCc2ccccc2)c(-c2ccccc2)n1	237831623	BOEAUUIRVGAZIB-UHFFFAOYSA-N	422.532	5.333	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nc2cc(Cl)ccc2c1=O	302852400	VSECCNWSSDVIMR-ZDUSSCGKSA-N	424.913	5.139	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCOc2c(F)cccc21	409873311	IJALCURKZQNZSW-IBGZPJMESA-N	404.466	5.102	30	20	HKED	
C[C@H](SCc1cccc(F)c1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	427867624	UZZTXSTUNXBSIM-NSHDSACASA-N	411.483	5.662	30	20	HKED	
N#CCCC[C@@H](NCc1ccc(I)c(Cl)c1)c1ccccc1	433019350	NELXLWHLOBJEPM-GOSISDBHSA-N	424.713	5.469	30	20	HKED	
CCCOc1ccc(Br)cc1CN[C@@H](CCCC#N)c1ccccc1	433027499	VQWBJVXEVDEKGX-FQEVSTJZSA-N	401.348	5.763	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)s1	435514641	MQINJRCTONNYCP-UHFFFAOYSA-N	406.898	5.427	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	437930341	DEEROGMDTUABAQ-IRLDBZIGSA-N	407.514	5.178	30	20	HKED	
Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439365318	NEQSTVGEAIWYHO-FQEVSTJZSA-N	403.511	5.103	30	20	HKED	
COCc1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(-c2ccccc2)s1	440755971	ULNWTMXGNQQXAA-UHFFFAOYSA-N	419.550	5.127	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1	442217687	BUQKXBPZMZIRNV-IBGZPJMESA-N	419.447	5.236	30	20	HKED	
CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1C	444038859	ZVDNAQVLEOMBBU-XJABCFGWSA-N	424.976	5.332	30	20	HKED	
COc1ccc(F)c(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	444855106	HMNYNYIQQOLDAH-HNNXBMFYSA-N	424.316	5.668	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3cccc(C#N)c3)no2)s1	447492305	MSROHIUTHZUQCE-UHFFFAOYSA-N	403.463	5.019	30	20	HKED	
C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H]1c1nc2ccccc2s1	460564790	GGEZKMJJHOXDHU-IBGZPJMESA-N	419.554	5.184	30	20	HKED	
C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1	461287654	BTHADRLODDGXND-OAHLLOKOSA-N	405.552	5.185	30	20	HKED	
C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H](C)c1ccccc1	473630829	JMMIPMSTRLEGLK-CABCVRRESA-N	423.567	5.016	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	476121354	GVQKKNGVQFIGLJ-UHFFFAOYSA-N	403.501	5.604	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	476128174	CHPFFPFGMMNHBO-UHFFFAOYSA-N	407.514	5.302	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@@H](c3nc(-c4c(Cl)cccc4Cl)no3)C2)n1	476914369	LPQBGUQRJWOHAP-CQSZACIVSA-N	414.296	5.003	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1	477509539	KNCMOAZKGSVEJI-UHFFFAOYSA-N	416.521	5.172	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccc(Br)c2)nnc1-c1ccncc1	481395623	AEZCVYJSHUHALQ-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)C1(c2ccc(Br)cc2)CCOCC1	482913351	YQJZKEHWKYNZCQ-UHFFFAOYSA-N	420.391	5.092	30	20	HKED	
CCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1ccc(Cl)cc1	485315166	GRVMQVFQQJUATM-UHFFFAOYSA-N	421.932	5.402	30	20	HKED	
C=CCn1c(S[C@H](C)c2cnc(C)cn2)nc2scc(-c3ccccc3)c2c1=O	488265998	SSCRROIPCBFGGT-OAHLLOKOSA-N	420.563	5.263	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1ccccc1	488317558	SRDJZPLPDVEIGU-HXUWFJFHSA-N	410.945	5.655	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccn1	488901243	SGQGEDCSLLWKDW-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1cccnc1	496572335	LYGGFWXFYQQWEG-GAJHUEQPSA-N	419.912	5.012	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](Cc1ccccc1)c1cccs1	497571050	KVWVGFIXTQLCOU-QFIPXVFZSA-N	422.598	5.597	30	20	HKED	
Cc1cccc2oc(CCNC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc12	500365404	SMTBCXJBROLLBI-SFHVURJKSA-N	424.504	5.278	30	20	HKED	
COCc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	500806467	OJALDPLFCMZFIS-JOCHJYFZSA-N	419.912	5.464	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1NC(=O)CC(C)C	505302038	PPEUUQIXNIWMIL-GOSISDBHSA-N	418.324	5.281	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	505916886	KSSXJYHZCNOOMJ-MRXNPFEDSA-N	400.322	5.195	30	20	HKED	
C[C@@H](CCc1ccc(Br)cc1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	506278729	GRDDPPACSNMHHL-HNNXBMFYSA-N	414.347	5.393	30	20	HKED	
C=CC[C@@H]1N(C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)CCCC1(C)C	508074497	QMNQQRVFAOLDSW-FQEVSTJZSA-N	415.965	5.291	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1nc(COC)sc1-c1ccccc1	508359051	COIWIBGMLBNKHY-UHFFFAOYSA-N	410.564	5.165	30	20	HKED	
O=C(Nc1ccc(CCC(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510036013	TZFVXGHSJUHKJF-MRXNPFEDSA-N	422.344	6.136	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)nc2ccccc21	513670682	ABIBNALLKUOKAQ-MRXNPFEDSA-N	424.485	5.447	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cccs1)c1nc2ccccc2s1	513670769	BHIQEVNODVFCEH-INIZCTEOSA-N	406.557	6.140	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C#N)o2)cc1	514892317	WBCJSLPRMDZABX-UHFFFAOYSA-N	406.511	5.027	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	515757530	MZEUUSXFYOFELV-KRWDZBQOSA-N	419.912	5.538	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1Cl	518953688	SRFOIJRHLBURFN-UHFFFAOYSA-N	414.889	5.055	30	20	HKED	
N#Cc1ccc(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1[N+](=O)[O-]	519736940	ZEIPSWUYFDSABS-UHFFFAOYSA-N	404.373	5.221	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCOc2ccccc21	520835699	SSASKQPKSWIWFM-HNNXBMFYSA-N	406.429	5.216	30	20	HKED	
COc1ccc(N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](C)C2CC2)cc1	521096333	CUKNSHYNDRYBQN-QGZVFWFLSA-N	413.477	5.199	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	521293393	OYMGADMHTVYREH-QFIPXVFZSA-N	413.477	5.022	30	20	HKED	
Cc1ccc(-n2c(S[C@H](C#N)C3CCCCC3)nnc2-c2ccncc2)cc1C	522333120	FNQLYVLFTXRTFL-OAQYLSRUSA-N	403.555	5.511	30	20	HKED	
N#CC1(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)CCCCC1	522816435	FEKVSNVWRFCKTO-UHFFFAOYSA-N	400.276	5.049	30	20	HKED	
Cc1c(NCc2cccc(OCCCC#N)c2)cccc1-c1nnc2n1CCCCC2	533210118	DGUJYVNXHMNSCL-UHFFFAOYSA-N	415.541	5.275	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H](CCCO)c2ccccc2)c1	534920342	NZJYDFYYJDUQAT-JOCHJYFZSA-N	420.896	5.248	30	20	HKED	
C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CC(=O)Nc1ccccc1SC[C@H](C)C#N	535790673	HJTBSPKTHHUIAS-IKGGRYGDSA-N	411.546	5.024	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1ccc(C#N)c(Cl)c1	539175083	XPLSTGSBFUWYHE-UHFFFAOYSA-N	412.276	5.719	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C1CC1	540254045	TZPVQHCAWOMZCY-QGZVFWFLSA-N	413.525	5.592	30	20	HKED	
C=CCSCCNC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12	540959769	ZDFSTIWHKKYATK-UHFFFAOYSA-N	415.609	5.108	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cc(C#N)ccc2C)c1	542401295	DWJULYDTRNOVFG-ZCYQVOJMSA-N	411.505	5.638	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCc3nnc(-c4cccc(C#N)c4)o3)s2)cc1	543519981	ZSZLUOBZAQNWFI-OAHLLOKOSA-N	415.522	5.199	30	20	HKED	
N#Cc1ccc(CN2CCC(Nc3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1	543760803	WXOQBBLYJKCPOM-UHFFFAOYSA-N	416.569	5.154	30	20	HKED	
CC(C)c1ccc(OCCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1	557549866	VHNSQVSFHXQNRR-UHFFFAOYSA-N	404.432	5.042	30	20	HKED	
N#CCCN(C(=O)CCCCOc1ccc(Br)cc1)c1ccc(F)cc1	558146968	UTWOHMHSAUBFBH-UHFFFAOYSA-N	419.294	5.084	30	20	HKED	
CC(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1	559521594	SGFAADZQWVXBPK-UHFFFAOYSA-N	410.882	5.307	30	20	HKED	
C=CCc1cc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc(OC)c1O	559998008	LDCVYHKLWTUJLP-UHFFFAOYSA-N	414.933	5.021	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1c(F)cccc1F	570486774	IZUUCLAQLFDVLK-ZJBJCVSYSA-N	424.495	5.185	30	20	HKED	
COc1cccc(Oc2ccc(CNCc3ccc(C#N)cc3C(F)(F)F)cn2)c1	576151884	REVIZZDTJZNQKA-UHFFFAOYSA-N	413.399	5.063	30	20	HKED	
C=CCN(C(=O)CCCCCC#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	588831452	WWEIDCAQPHESQF-UHFFFAOYSA-N	408.354	6.110	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1	590613422	PIKXIQAVUSWCEH-OAHLLOKOSA-N	405.523	5.279	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)n1	603722706	RRJDGNGBPONCCS-JTQLQIEISA-N	422.457	5.010	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(-c4cccnc4)n3)c2)cc1	609176337	FNKTZWNEKSPVEF-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
Cc1cc(Sc2ncccn2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	609207528	IUWKITBNINRGSL-UHFFFAOYSA-N	417.538	5.250	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(N2CCCC2=O)c1	609438110	BWFZVIKLOQNZGR-SJORKVTESA-N	422.554	5.090	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1sc(-c2ccccc2)nc1C(F)F	611186962	ZBKCWSTYBUUYHK-QZTJIDSGSA-N	423.488	5.660	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1C(C)(C)C	613404199	KDISAUNLOZJWOS-GFCCVEGCSA-N	420.460	5.319	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2n1	642282200	UCUHFILKFNYBQB-OAHLLOKOSA-N	411.408	5.662	30	20	HKED	
O=C(Nc1ccccc1OC(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642409957	NKOLFBHHGLSWCE-RKDXNWHRSA-N	420.300	5.319	30	20	HKED	
C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	670209546	CHTZCRLIHCDBAI-HXUWFJFHSA-N	412.541	5.090	30	20	HKED	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674570501	LXICDRSPAXISJG-RKDXNWHRSA-N	412.227	5.049	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl	726461844	YZRCXOJREHCVGX-HXUWFJFHSA-N	402.910	5.676	30	20	HKED	
C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3cccs3)C2=O)cc1OC	726630805	XPWTZFYBPXILCE-CYUIRQCWSA-N	417.577	5.284	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)NCc2sc(-c3ccccc3)nc2C)cc1OC	727345835	OOXDTNSHCLDNAP-QBFSEMIESA-N	420.534	5.022	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	731644410	QQHGIPVNFNWOCM-KRWDZBQOSA-N	420.296	5.335	30	20	HKED	
CC(C)COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)CCC2)cc1	731774590	PRDODDHOOWHJHP-LJQANCHMSA-N	422.525	5.768	30	20	HKED	
N#CCCN(C(=O)COc1ccc(C2SCCCS2)cc1)c1ccc(F)cc1	731882032	NKZOHWGJOXWERC-UHFFFAOYSA-N	416.543	5.020	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc(C(C)C)cc2)C2CC2)c1=S	732509908	PRFWHCMDNZZOAU-UHFFFAOYSA-N	419.598	5.408	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c1	733804667	HIHDBRLJEVBJBN-KXBFYZLASA-N	419.447	5.289	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCc2cccc(F)c2)C2CC2)cc1	733842994	IESOCYZLYUFEFB-RUZDIDTESA-N	413.496	5.720	30	20	HKED	
Cc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1N1CCCC1	734316865	TXBOZRQDYMKXCA-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccncc1	734660178	MBMTZZIJLBEMII-VGSWGCGISA-N	405.473	5.691	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(-c3ccccc3)nn(C)c2Cl)S1	734752892	LBPRUINOXUAUAE-SFQUDFHCSA-N	422.941	5.249	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c1	737564747	BPKAOUSLGJXPGP-BEFAXECRSA-N	404.432	5.196	30	20	HKED	
COc1cc(COC(=O)[C@@H](C)c2ccsc2)ccc1OCc1cccc(C#N)c1	738828100	VEMQZVVLZHYCRU-INIZCTEOSA-N	407.491	5.054	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)c(F)c2)cc1	741469985	OCIAUUKQMKYDOJ-NTUHNPAUSA-N	417.480	5.234	30	20	HKED	
COc1c(O)cccc1/C=C\C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743056553	YNZVXHMJPKNMNL-TWGQIWQCSA-N	403.265	5.098	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(-n2cccn2)cc1	743095838	MPTRVPOOCYHBJT-UQBPGWFLSA-N	421.504	5.410	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3cscn3)c2)cc1	744033249	NXBDXUXCOGMLFB-MGPUTAFESA-N	403.507	5.285	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccnc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	744036565	CRBCHDILSAKWNZ-BSFBHTCNSA-N	421.566	5.041	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1	747197300	XCTOCNLGDWUTKZ-BZUAXINKSA-N	407.564	5.802	30	20	HKED	
CC(C)c1ccc([C@@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C(C)C)cc1	747619723	QPHIZZBYWPWBSL-OFVILXPXSA-N	412.537	5.334	30	20	HKED	
CC[C@@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	749025434	MOOSEGUPKOUMTK-SWLSCSKDSA-N	422.403	5.488	30	20	HKED	
COc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1	749034554	JADJMGJLDPLAMR-QFIPXVFZSA-N	400.478	5.049	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc(C)nc21	751083374	IPCYLWIUUIXCCM-WZONZLPQSA-N	423.520	5.619	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1C#N	752194481	ODFAKQROVCNOSJ-UHFFFAOYSA-N	417.849	5.386	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc2ccccc2n1CC#N	754220658	NBMQJSCJSGPMGB-UHFFFAOYSA-N	404.470	5.073	30	20	HKED	
CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CC2	756303233	UEEGHMBWGKKVQK-AREMUKBSSA-N	423.516	5.177	30	20	HKED	
CCn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1-c1ccccc1	756653916	VVRIXVXBHTWQAJ-HSZRJFAPSA-N	406.489	5.478	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1	760357992	UOILOXUSZLURBB-UHFFFAOYSA-N	418.305	5.200	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2SCC)cc1C#N	763527293	HSWQUFGWTUVRMB-UHFFFAOYSA-N	403.891	5.144	30	20	HKED	
N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(Cl)c([N+](=O)[O-])c1	764302689	TVQCFWPPYMMQGG-RYUDHWBXSA-N	410.644	5.169	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)OCCCCC(C)(C)C#N)s2)cc1OC	768431525	CUFXXWRVHXJOQZ-UHFFFAOYSA-N	402.516	5.013	30	20	HKED	
COc1ccc(-c2nc(S[C@@H](C)c3ccc(F)c(Cl)c3)nc(O)c2C#N)cc1	769658810	DXCIGUWZMKHLAM-NSHDSACASA-N	415.877	5.375	30	20	HKED	
C[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(OCC#N)cc1	776154326	AUAKPRVIRRUGBR-QGZVFWFLSA-N	418.459	5.007	30	20	HKED	
N#C[C@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1ccc(Cl)c(Cl)c1	779627157	JHCVELBOPPOOID-LBPRGKRZSA-N	408.594	5.055	30	20	HKED	
Cc1[nH]c2ccc(F)cc2c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O	782223681	WNOTWBQWTRYPCK-UHFFFAOYSA-N	416.481	5.244	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)cc1	783038421	QIQJRUJGPQFDKU-IOYBJCICSA-N	400.444	6.039	30	20	HKED	
COC[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2	784957212	SZLQPBSHZLVSEE-XSVZSIDJSA-N	418.880	5.070	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCC(=O)c2ccccc21)c1nc(-c2c(F)cccc2F)cs1	793124827	KTKNFZBNRUOKNK-GJZGRUSLSA-N	408.429	5.025	30	20	HKED	
CC(C)c1ccc(-c2ncc(COC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)s2)cc1	795825293	OHPIQBQTEWNQBU-NRFANRHFSA-N	415.518	5.231	30	20	HKED	
COc1ccc(-c2cc(NCc3ccc(O[C@H](C)C#N)cc3)ccc2OC(F)F)cc1	798090534	ONJRSIUVMKDJKK-MRXNPFEDSA-N	424.447	5.867	30	20	HKED	
Cc1nc(COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)oc1-c1ccc(Cl)cc1	803920921	APGFJQRPKGMRLT-UHFFFAOYSA-N	410.832	5.089	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(NC(=O)CCC)c1C)c1ccc(Cl)cc1F	806231596	LPKKWSOLSKIJJA-KRWDZBQOSA-N	401.869	5.022	30	20	HKED	
CC(=NOCc1ccc(Br)cc1C#N)c1nc2ccccc2n1C(F)F	808248392	JCQFBKUXYGGYIJ-UHFFFAOYSA-N	419.229	5.006	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	808816520	QPAUJFDBKGIOBE-DQEYMECFSA-N	413.521	5.966	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Br)c1	813060880	MTPGTVRTNGMYAN-BXUZGUMPSA-N	418.241	5.174	30	20	HKED	
Cc1cc(Br)cc(NCc2nc(C#N)cs2)c1NC(=O)OC(C)(C)C	816603068	YKZUUOKEODWXOS-UHFFFAOYSA-N	423.336	5.045	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2ccccc2o1)c1nc(-c2ccc(Cl)cc2)cs1	915101817	LSYKZXSDBMQUSC-HNNXBMFYSA-N	407.882	5.414	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1	915350123	HXLPSXCWEDHYLN-RUZDIDTESA-N	410.521	5.264	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(-c2ccc(C(=O)O)o2)cc1	915987574	HDEXKGRPENXXSX-CMDGGOBGSA-N	402.431	5.059	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1	917047282	WBSUQUOSRALOIL-HNNXBMFYSA-N	405.306	5.639	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1	920102815	ZPELVIHVDJHJQD-MRXNPFEDSA-N	419.893	5.459	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(F)c2)CCC1)c1nc(-c2c(F)cccc2F)cs1	920806707	OMXIZRDCVOASIN-OAHLLOKOSA-N	412.436	5.526	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC)nc3)cc2)CCC1	1787255257	MZMVIKOWKBASFB-QHCPKHFHSA-N	417.553	5.160	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1	1791588195	JPSTVJFPWBYLFV-UHFFFAOYSA-N	402.416	5.029	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3sccc3Cl)CC2)C1	1804865408	RXIHUCIZWYWHGF-UHFFFAOYSA-N	423.022	5.239	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1828822124	FDLPNPTZIXSZHQ-LJAHQNNKSA-N	420.597	5.088	30	20	HKED	
Cc1sc2nc(SCC(=O)c3ccc(C#N)cc3)n(C3CCCC3)c(=O)c2c1C	19026708	JMELWSTYKCGBKI-UHFFFAOYSA-N	423.563	5.037	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)c(C)[nH]1	23603059	UWDMFTCVKUWAGJ-UHFFFAOYSA-O	400.527	5.123	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1c(F)cccc1F	71960033	IVLCMSBDBZWCPM-ZDUSSCGKSA-N	405.445	5.314	30	20	HKED	
C[C@@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCCCC#N	102044649	RHAPCQJGTYVZIL-BSDSXHPESA-N	414.550	5.389	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(C(F)(F)F)cc1	195652857	PPWWFBOZVQSUMV-DOMZBBRYSA-N	421.369	5.820	30	20	HKED	
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1F	303323909	UWUYPHXGIMEMLZ-AWEZNQCLSA-N	424.501	5.007	30	20	HKED	
C=CCN(C(=O)c1sccc1Br)c1nc(-c2ccccc2)cs1	320466552	YRZMVFCMJYXHCV-UHFFFAOYSA-N	405.342	5.467	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cccc(SCC#N)c1	430695854	AOARKACWJAPHSM-ZDUSSCGKSA-N	411.527	5.364	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](C)c1ccc(Br)cc1	431927600	SGSCHFIOBDUSRO-GJZGRUSLSA-N	417.372	5.833	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)c1ccccc1	435659068	FSKGLUYFTMBPSY-NRFANRHFSA-N	421.472	5.808	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1	438505243	BCEGEBLFWAZXSK-VDZJOXJSSA-N	423.582	5.037	30	20	HKED	
CCN(Cc1ccccn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	438599849	RISXLUPDKWZVNB-UHFFFAOYSA-N	420.900	5.240	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	438624248	VVZRHULXAAHFEI-UHFFFAOYSA-N	408.264	5.140	30	20	HKED	
Cc1cccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(C)C	438668029	DMBGCNSWDXGNIM-QFIPXVFZSA-N	418.472	5.712	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@@H](CC)c1ccncc1)c1ccc(C(F)(F)F)cc1	441538964	XFCADGMFQXJZDP-UXHICEINSA-N	405.464	5.900	30	20	HKED	
Fc1cc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c2ncccc2c1	444745459	URQQOVBKBLXJCT-QGZVFWFLSA-N	416.340	6.176	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc(C(F)(F)F)nc1C	461925919	MUEPFDDWOYMDHV-UHFFFAOYSA-N	417.412	5.695	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N(CC)[C@H](c1ccc(Br)cc1)c1cccnc1	466879195	YHJSFYGZMHMNLP-OXQOHEQNSA-N	401.348	5.384	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nc(-c2ccccc2)cs1	467092397	NDWYBWBQDVKMPJ-HXUWFJFHSA-N	415.905	6.016	30	20	HKED	
CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470538815	XBVJEMTZGZUXDO-LJQANCHMSA-N	418.541	5.102	30	20	HKED	
CCOc1ccc(Oc2ccc(NCc3nnc(-c4cccc(C#N)c4)o3)cc2)cc1	471620365	SHKLDDUDGDLXDM-UHFFFAOYSA-N	412.449	5.411	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21	475576314	WBTMSSLJXNRZBT-QFIPXVFZSA-N	406.574	6.049	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	477450525	VCKHAGMCVHZWMO-DNVCBOLYSA-N	421.488	5.624	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(Cl)c1)c1ccc(C(F)(F)F)cn1	477871415	DCCVTACGCKXQAF-SNVBAGLBSA-N	403.585	5.006	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1	479666993	ZIRGXOYGDBCBQP-JOCHJYFZSA-N	418.493	5.062	30	20	HKED	
Cc1ccccc1CSCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	479841466	NBOJFIGFOKESPI-UHFFFAOYSA-N	407.539	5.188	30	20	HKED	
CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(F)c1	480824182	YNWJPZMJWKOMPT-GHTZIAJQSA-N	423.488	5.085	30	20	HKED	
C=C(C)[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)c(F)c1	481573470	QEUQISPRQSGXFR-NYHFZMIOSA-N	415.509	5.062	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	483997147	XTGJJKXISHPNST-INIZCTEOSA-N	420.683	5.605	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	486527638	KTPKDCCGKYUWIG-SFHVURJKSA-N	421.497	5.100	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	487395068	PHXCMIUCMZQRTG-LJQANCHMSA-N	404.489	5.056	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)s2)cc1	487444938	NLSNQADSCXPZPX-UHFFFAOYSA-N	420.881	5.166	30	20	HKED	
O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1cc(F)c(C(F)(F)F)cc1F	488836725	JJIVXEJBJNSDLJ-AREMUKBSSA-N	402.306	5.451	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]4CCC[C@H]43)s2)c(C(F)(F)F)c1	496311975	NVXNOGJGTALYRY-CXAGYDPISA-N	420.460	5.031	30	20	HKED	
COc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc(OC)c1C(C)C	496652149	RGXHTYKHPCQIHI-UHFFFAOYSA-N	420.465	5.123	30	20	HKED	
COc1cccc2[nH]cc(CC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c12	497795851	RUBIJSAOFSINGG-UHFFFAOYSA-N	413.502	5.056	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1c(Cl)cccc1Cl	499860198	HTBCOIMBJCFDRP-QGZVFWFLSA-N	419.239	5.299	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	500293357	BFBCOSOJLAZYMV-KBXCAEBGSA-N	419.472	5.175	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(Br)c(F)c1	502049640	JUHXMZXJUKXYAH-LBPRGKRZSA-N	407.308	5.021	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1	503910019	MCUAAMXCJHZZLY-UHFFFAOYSA-N	406.485	5.027	30	20	HKED	
N#C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccc(OCc2ccccc2)cc1	505336396	BHKQWODFCIKPPS-XZOQPEGZSA-N	414.530	5.226	30	20	HKED	
Cc1ccc(NC(=O)c2cscc2C#N)cc1Oc1ncccc1Br	509603643	LDOLXSOQJRUMOM-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c1C	510174261	XOIGSZXNTYPTDW-MRXNPFEDSA-N	403.507	5.131	30	20	HKED	
CC[C@@H]1C[C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1	513749901	XXFNELRNALAVMZ-OXQOHEQNSA-N	412.917	5.324	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	515073931	LEBISYLTVJUYDS-UHFFFAOYSA-N	402.473	5.510	30	20	HKED	
C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3cccc4ccccc34)nnc12	516704997	KXNUCPDYEMRHGX-MRXNPFEDSA-N	412.518	5.237	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	517473684	JIPOQGCBZYJPPZ-PGRDOPGGSA-N	423.582	6.096	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCCC2	517520468	HESZDOLFCZYUBW-KRWDZBQOSA-N	406.551	5.561	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)n1	518148235	PDOBRWYLQBLZKQ-HNNXBMFYSA-N	406.511	5.364	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nc2c(s1)CCCC2	518169275	KSVVGTDOMSMPQW-GJZGRUSLSA-N	406.473	5.363	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1	518850116	OZJCYWHGKMDZFL-AHIWAGSCSA-N	413.226	5.497	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1	520854214	HAWZDXOUERABKU-JKSUJKDBSA-N	422.554	5.170	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1ccc(Cl)cc1	520924103	IXEMXSQMCTZMLB-AWEZNQCLSA-N	410.930	5.481	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc(OC)c1OC	525296936	CFZMASPTZPSPSF-AWEZNQCLSA-N	422.447	5.012	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2c1	526109842	XQSNRLCUQKQPBI-LBPRGKRZSA-N	423.188	5.408	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)c1ccccc1	536123419	SPXWQHLSISRJJK-LJQANCHMSA-N	402.469	5.305	30	20	HKED	
CCN(C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)c1ccc(C#N)c(Cl)c1	536973103	KPOGIDXZFWYNGD-UHFFFAOYSA-N	411.292	5.297	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Cl)c(C#N)c2)cc1	538688608	VGJCZPXVSMEIIP-UHFFFAOYSA-N	401.853	5.109	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1	540536813	GIBJVFIFVIMBRV-HNNXBMFYSA-N	401.310	5.197	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(C)cc2Sc2ccccc2)n1	542284976	MBPUQXSENWQDFS-QGZVFWFLSA-N	422.531	5.270	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C	543063893	GDQQDDKOBAACJY-LBPRGKRZSA-N	400.454	5.015	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCNc2cccc(F)c2)cc1	543344822	BFVHSLNZPDGNFC-UHFFFAOYSA-N	419.525	5.222	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nc(Cc2ccccc2)cs1	544272010	HBBJDOAKUQNIBU-LEWJYISDSA-N	402.523	5.038	30	20	HKED	
CC(C)OCc1ccccc1-c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1	546355314	FZRSYNJXYILQEL-SEYXRHQNSA-N	412.493	5.700	30	20	HKED	
CN1CC[C@H](c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)c2ccccc21	547056623	KXYCTSKWZWTENU-VIOKTNGOSA-N	409.493	5.080	30	20	HKED	
CO[C@@H](c1ccc(F)cc1)c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1	547217653	QSEAJCQUXIPPFJ-QFIPXVFZSA-N	415.424	5.062	30	20	HKED	
C=CCn1c(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)nnc1-c1ccco1	549623124	KVFNGYYISCGFRS-IBGZPJMESA-N	415.946	5.638	30	20	HKED	
CC(C)CN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)c1ccccc1Cl	551446456	BIIOLJWGGRMIBR-AWEZNQCLSA-N	418.324	5.049	30	20	HKED	
Cc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)cc1	566531875	GIUGAVVQTGXASL-ICSRJNTNSA-N	412.493	5.464	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c1	577297958	JSHKSHUFQNPTJA-HXUWFJFHSA-N	422.271	5.652	30	20	HKED	
C=CCn1c(SCc2cc(OC)ccn2)nc2cc(-c3ccccc3)sc2c1=O	592562729	UNCZGGLJDPLDMY-UHFFFAOYSA-N	421.547	5.007	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1Cl	603533035	NBYBMWWXWVSGME-UHFFFAOYSA-N	408.860	5.271	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1	604077657	ULEGTIGBMXQSCX-KRWDZBQOSA-N	403.457	5.392	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2Cl)cc1	604193494	NWJAOEJJXPVFIF-UHFFFAOYSA-N	417.852	5.141	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1	604523301	VTVISRYFBJSTCD-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
CC1(C)Cc2cc(C(=O)N(CCC#N)Cc3cccnc3)sc2-c2ccccc21	608853537	QUKRUVKWDJWQNX-UHFFFAOYSA-N	401.535	5.200	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N	609067407	YUHLACRAHPQCNW-RBUKOAKNSA-N	400.478	5.413	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccccc2SC[C@H](C)C#N)c(Cl)c1	609387042	HNPOAWQXURWSTR-GDBMZVCRSA-N	401.963	5.648	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(c1ccccc1)C1CCCCC1	609431055	BESCXQDEXDNHMY-IBGZPJMESA-N	407.583	5.859	30	20	HKED	
CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)NCCCCC#N	609686257	XAXCENNTTDSGMR-UHFFFAOYSA-N	407.558	5.416	30	20	HKED	
CC1(C)CC(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC(C)(C)N1	609742759	ZYHRUMQXUDYHND-UHFFFAOYSA-N	411.933	5.043	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609912050	LFQBONGBXJBOBV-INIZCTEOSA-N	408.885	5.087	30	20	HKED	
Cc1cccc(C(C)(C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	609928072	KTTJXKRVHGYNND-UHFFFAOYSA-N	413.521	5.697	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1	610325204	JFKHSXKGALARLH-MRXNPFEDSA-N	419.456	5.168	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@@H]2[C@@H]3C(F)(F)F)c1	610494702	MMXORLBXEOZSRP-CGTJXYLNSA-N	406.791	5.027	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1	610910373	SICCLBZJEMVAIC-UHFFFAOYSA-N	424.552	5.444	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(Cl)c1	611096044	GHPXEYOGODAMII-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c12	613290798	LTEBKPDHKIASPE-QGZVFWFLSA-N	423.501	5.044	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1c1ccc(O)cc1	642712735	ADFNJRDGHXIJLH-HXUWFJFHSA-N	424.932	5.230	30	20	HKED	
N#CCCCCCC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1	673461010	MXEQCPOLOIZMKA-UHFFFAOYSA-N	403.507	5.454	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc(C(F)(F)F)c1	683089508	MWTMACVBZXKGGQ-GHMZBOCLSA-N	408.264	5.218	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1	726081957	ZHGUNEMGQVAKGV-UHFFFAOYSA-N	422.598	5.502	30	20	HKED	
CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1sc(-c2cccnc2)nc1C	726426187	QPAASWVISNAQAI-UHFFFAOYSA-N	401.417	5.240	30	20	HKED	
C[C@@H](CC#N)N(C)Cn1nc(SCc2cccc3ccccc23)sc1=S	728902984	ZTUSSIWADAIPQC-AWEZNQCLSA-N	400.598	5.311	30	20	HKED	
N#CCN(C(=O)c1sc2cc(Br)ccc2c1Cl)c1ccccc1	729827090	NHNYFQMYUPAEQU-UHFFFAOYSA-N	405.704	5.488	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1	733770453	ACXHZKWHCSOACS-YRXLECQKSA-N	420.509	5.425	30	20	HKED	
Cc1cc(/C=C\C(=O)c2c(Cl)nc3ccccn23)cc(C)c1OCc1ccccn1	737451039	XGLYBNROMVZGGO-KTKRTIGZSA-N	417.896	5.475	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	741059132	MRRQAGLMQRAVLP-RUZDIDTESA-N	408.505	5.040	30	20	HKED	
COc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC	741111445	NVZSHZHENGNYLU-KRWDZBQOSA-N	424.547	5.186	30	20	HKED	
O=C(/C=C/c1ccc(-n2cnc3ccccc32)cc1)c1c(Cl)nc2sccn12	741843507	GZGQUWBEYTUQKI-JXMROGBWSA-N	404.882	5.284	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744074723	OTTDWQSNNOTJMU-SNVBAGLBSA-N	420.872	5.089	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(F)c(Br)cc2F)cc1Cl	753672631	CCZAKTGHAUZUER-UHFFFAOYSA-N	402.651	5.061	30	20	HKED	
C[C@H](C#N)CN(Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S)C1CC1	753976125	CYISNIBMGJOWFF-OAHLLOKOSA-N	415.994	5.431	30	20	HKED	
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	755617014	YXZVPLNIWBOWMQ-ILCZHQDMSA-N	403.463	5.307	30	20	HKED	
O=C(Nc1cccc(C=NNCc2cnc3ccccc3c2)c1)c1ccccc1Cl	764776244	TYSLCPVLXSBUCD-UHFFFAOYSA-N	414.896	5.264	30	20	HKED	
N#Cc1ccc(OCCCSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1	765364069	RPRJUUIKKJPYFR-UHFFFAOYSA-N	419.554	5.278	30	20	HKED	
C#CCC(C)(C)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	767078513	BVFDPUSAAWJYGJ-ZDUSSCGKSA-N	405.361	5.108	30	20	HKED	
N#CCN1CCC(OC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1	770784828	YSIHPUMJTPFYBL-UHFFFAOYSA-N	403.718	5.006	30	20	HKED	
C[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)Sc1ccc(Br)cc1	776164622	JELFPSZTHGCYEE-HUUCEWRRSA-N	405.361	5.183	30	20	HKED	
CC(C)[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(C(F)(F)F)cc1	777117468	ZSJJVEHUJLXEDD-JOCHJYFZSA-N	417.475	5.347	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CCC2	780523213	WFJAIGSUVITKCJ-OAQYLSRUSA-N	418.522	5.623	30	20	HKED	
COc1cccc(Cl)c1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	790537605	URNHXYXLNIOOBK-IBGZPJMESA-N	405.885	5.326	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1OCC	792103119	KMZZZVXLVCIKLG-FQEVSTJZSA-N	402.494	5.186	30	20	HKED	
CN(Cc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1)C(=O)OC(C)(C)C	793038620	TVOXZFXKIFODEE-FQEVSTJZSA-N	407.514	5.080	30	20	HKED	
Cc1cc(COC(=O)C[C@H](CC#N)c2ccccc2)nc(-c2ccc(Cl)cc2)n1	795981940	PYWMXCCZTKVLKI-IBGZPJMESA-N	405.885	5.236	30	20	HKED	
C=CCN(C(=O)C[C@H]1CCC(F)(F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	798211742	KAULCWSOEDJWAF-CYBMUJFWSA-N	407.442	5.063	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3cnn(C4CCCC4)c3)c21	799895043	CIFAUPSBPSZNGS-QXMHVHEDSA-N	407.514	5.192	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)CCOCC1	800163402	JCZKEGNPIUBRIX-UHFFFAOYSA-N	401.865	5.403	30	20	HKED	
CN(C)C(=O)Sc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1Cl	805438177	AVQQVKQSUGVEHN-UHFFFAOYSA-N	401.919	5.167	30	20	HKED	
CC(C)(C)c1cnc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)s1	814730612	DUCIOLUWTBSWLV-UHFFFAOYSA-N	412.371	5.177	30	20	HKED	
Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1cc2sc3ccccc3c2s1	821638336	SAGHZCBUVWSVMP-UHFFFAOYSA-N	415.503	5.129	30	20	HKED	
N#C[C@@H](C(=O)CCn1c2ccccc2c2ccccc21)C(=O)Nc1ccccc1Cl	916910527	HUFHKOAMCSYQAY-SFHVURJKSA-N	415.880	5.186	30	20	HKED	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	917046115	FTRYTCIELVGJLB-AAEUAGOBSA-N	405.306	5.555	30	20	HKED	
CC(C)c1cccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	917575663	DHHVFMBMHIOKAU-UHFFFAOYSA-N	415.562	6.264	30	20	HKED	
CCCCOc1ccc(C=NOCc2cccc(C(=O)N3CCCCC3)c2)cc1OC	917623347	XYNMIMXNZMECQG-UHFFFAOYSA-N	424.541	5.051	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc2c1O[C@@H](C)C2	919893639	MRTXRNHUDUHRBQ-INIZCTEOSA-N	414.461	5.243	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1	920803777	CDDSUMDLQCKLQV-LAUAKBEESA-N	423.469	5.588	30	20	HKED	
N#C[C@@H](COC(=O)Cc1csc(-c2ccccc2Cl)n1)Cc1ccc(F)cc1	920879714	JDYSBQGYEDOPPW-HNNXBMFYSA-N	414.889	5.071	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CCC2)cc1	1787887687	RCIWTUFLFDLBNV-VLCRHTCISA-N	407.558	5.031	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1	1790290397	WIQBWLPHLWBEOW-HSZRJFAPSA-N	413.521	5.074	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncsc34)CCC2)cc1	1791250213	KSBBIPUGQPWKIH-INIZCTEOSA-N	419.550	5.256	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1	1791253766	HCQVGOLZPYIEMO-QGZVFWFLSA-N	402.494	5.393	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC(C)C)cc3)CC2)C1	1830692801	NIYMMJDFEOUEQR-RUZDIDTESA-N	422.613	5.085	30	20	HKED	
COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccccc1	10118304	RLADQRPDYJBWGX-UHFFFAOYSA-O	405.543	5.157	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc3ccccc3o2)cs1)c1ccc(F)cc1F	15188213	CGOHJHTTWIMTCU-VQHVLOKHSA-N	424.428	5.748	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)cc1	22254083	LHXDEVLJKPQMLN-IBGZPJMESA-N	418.566	5.045	30	20	HKED	
C=CCn1c(SCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)nnc1C1CC1	27128605	VAFTXWFBEIVGHX-OAQYLSRUSA-N	412.603	5.071	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc2ccccc2c1	46667710	QBFPPTXBPHFAPL-UHFFFAOYSA-N	409.445	5.225	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCSc2ccccc2Cl)cc1	65869846	ZTMOVNHYKXOAET-UHFFFAOYSA-N	414.958	5.275	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1cccc(Cl)c1Cl	78718940	MVOMJDMKPQYYHP-LZWOXQAQSA-N	424.125	5.240	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2cccc(Cl)c2)cc1	116525276	KYCGCUJVWDBQAC-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1	303015121	PQWPIXLTVXMAGO-RMKNXTFCSA-N	407.388	5.873	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1	303555825	KHRSPCCGGVOQOS-RUZDIDTESA-N	402.563	5.813	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H](C)c1ccc(C#N)cc1	303675597	ZRAHICUOTDOUDQ-LJQANCHMSA-N	409.489	5.232	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ncc(C2CCCCC2)s1	426209012	GTGZFKMQCTUSKY-UHFFFAOYSA-N	423.991	5.059	30	20	HKED	
COc1cc([C@H](C)NC(=O)c2cccc(SCC#N)c2)ccc1OC1CCCC1	429956555	VXNISBIIHIXKDG-INIZCTEOSA-N	410.539	5.123	30	20	HKED	
COc1ccc(-n2c(S[C@H]3CC[C@@H](C#N)C3)nnc2-c2ccccc2Cl)cc1	430099295	DYVOEHIUUIZIQM-PBHICJAKSA-N	410.930	5.381	30	20	HKED	
C[C@]12CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]1C2(F)F	432476192	MAFFBSIBNTVYGJ-YPMHNXCESA-N	402.285	5.233	30	20	HKED	
CCOc1cc(Br)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433289067	NWTGVDURUKOVMS-KRWDZBQOSA-N	416.319	5.404	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	433874797	LWWIEBNLEZBGMH-QTBVYMFASA-N	418.503	5.692	30	20	HKED	
COc1cc(-c2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)ccc1O	436722822	MDNUPPSZGAQUPJ-UHFFFAOYSA-N	423.441	5.102	30	20	HKED	
C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438668093	ZOAUOWARKSDPQX-INIZCTEOSA-N	419.456	5.338	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1Cl	439232612	XSEDZUMYUYSWHC-GGAORHGYSA-N	423.944	5.418	30	20	HKED	
C=CCNC(=O)Nc1ccc(N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1	439553518	UQJGQGDXAXKSAD-GOSISDBHSA-N	414.509	5.420	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1nc(C2CCCC2)no1)c1ccc(C(F)(F)F)cc1	441566942	CVVGVYWPNWGUOW-GOSISDBHSA-N	421.463	5.502	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)NCC3CCC(C#N)CC3)cc2)cc1	441626908	RWRGSPULBBEVCW-UHFFFAOYSA-N	407.514	5.119	30	20	HKED	
CN(C(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(OCc2ccccc2)cc1	444295628	SSGGJADQCPHTOX-UHFFFAOYSA-N	423.516	5.801	30	20	HKED	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	444900671	SQEQSVFNYDXWHK-UHFFFAOYSA-N	403.486	5.035	30	20	HKED	
Cc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)cc1O	445236370	KJSGTZHGMAYORM-UHFFFAOYSA-N	401.466	5.298	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1	464039181	DZYMVMSEZFCCJU-UHFFFAOYSA-N	415.399	5.088	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC(=O)Nc1c(Cl)cccc1Cl	464822512	MXKSBSANOITXJB-VQIMIIECSA-N	402.325	5.094	30	20	HKED	
C=CCN(C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	471000876	KFGSWMRJZBXRCB-UHFFFAOYSA-N	416.308	5.585	30	20	HKED	
COc1ccc(CNc2nn([C@@H](C)c3ccccc3)cc2C)cc1OCCCC#N	471813829	YQYDVHPYGVGLOC-IBGZPJMESA-N	404.514	5.104	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1	473088180	LJMZGMGUEZRKHI-RPWUZVMVSA-N	418.537	5.127	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2cc[nH]c2c1	473555906	YGGIRJUKRHSPGP-UHFFFAOYSA-N	401.853	5.762	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)sc2nc(C(F)(F)F)ccc12	474437034	FWGMBMVMOIBDTC-LLVKDONJSA-N	409.458	5.694	30	20	HKED	
Cc1nc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)sc1SCC#N	475443816	GFMBLBRXPRCWEY-UHFFFAOYSA-N	406.492	5.128	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1c(F)cccc1F)N(C)C	475577667	GCJKZXYIWHOIFI-FQEVSTJZSA-N	401.501	5.241	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cc1	477126335	HZZKQTUEVSGLTE-UHFFFAOYSA-N	409.327	5.332	30	20	HKED	
C[C@@H]1c2cccc(Br)c2CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	480468026	AVDNVFSITWONPD-CQSZACIVSA-N	412.331	5.401	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(F)c(F)c1	480489448	CJFQRVTWJFLMTN-FQEVSTJZSA-N	419.859	5.184	30	20	HKED	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	480828474	NTKVEKOKCPRQFL-JOCHJYFZSA-N	407.514	5.472	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1-c1ncco1	483384521	RMFIIZYFRGLUDX-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
CCOc1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1Cl	484370931	KMYXUNCQMCMPFS-UHFFFAOYSA-N	421.884	5.145	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)c2)cc1	484893483	MKTPTTOBRPAISF-UHFFFAOYSA-N	419.484	5.761	30	20	HKED	
N#CCCN(C(=O)c1cc2sc3ccccc3c2s1)c1ccc2c(c1)OCCO2	486330621	GCZDTJQBZVYOLN-UHFFFAOYSA-N	420.515	5.448	30	20	HKED	
N#CCCC[C@H](NC(=O)CSc1cccc(Br)c1)c1ccccc1	487287198	OGUDBRXFLDDYQC-SFHVURJKSA-N	403.345	5.093	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccccc3)cn2)c1	487326140	XTRCXEKYXXFMSY-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
CC(C)OCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	487994822	GYJYWKDYHOYKFD-UHFFFAOYSA-N	416.496	5.465	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	488274235	SOFQDMGBJZBMLN-FQEVSTJZSA-N	403.448	5.044	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccccc1C	488894561	IIBUMNXMNAYCMJ-CYBMUJFWSA-N	417.456	5.220	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N(CC)CC)c3ccccc3)o2)cc1	489763825	VLSTVJAUJMBKIO-FQEVSTJZSA-N	423.538	5.003	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1	494746310	OXMORKCKYAGFQI-OAHLLOKOSA-N	424.957	5.594	30	20	HKED	
CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccc(C#N)cn3)ccc21	495268298	UUJBHQPGULBYQC-OAHLLOKOSA-N	400.507	5.200	30	20	HKED	
C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1	497823773	BSVUIKWGAJOBPP-GOSISDBHSA-N	424.504	5.111	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)n1	498666466	IACLBXVUCYIYGL-HNNXBMFYSA-N	408.508	5.132	30	20	HKED	
COc1cc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc(OC)c1OC	503194060	SLGLFYVUJDQIPY-UHFFFAOYSA-N	419.437	5.020	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c2c1	503928770	MUHQKNRNBXQBLW-UHFFFAOYSA-N	401.466	5.056	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Br)c1Cl)c1cccc(C(F)(F)F)c1	504538799	NNNWKXAYMMVRCO-CYBMUJFWSA-N	417.612	5.116	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N[C@H](c1c(F)cccc1F)C(F)(F)F	505418974	CAJNURRXDCTCHE-BDJLRTHQSA-N	411.292	5.421	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1	508443661	FVHAMHWWLVZXPP-LJQANCHMSA-N	402.325	5.418	30	20	HKED	
COc1cc2c(cc1F)CC[C@@H]2NCc1cccc(OCc2ccccc2C#N)c1	509426105	PNPHJEWXGXDQEY-DEOSSOPVSA-N	402.469	5.062	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)NCc1ccc(Cl)cc1	510213246	VUCZSTKURWXHBQ-OAHLLOKOSA-N	407.926	5.071	30	20	HKED	
C[C@H](NC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccccc1Cl	510218912	WHRPIKNVZSRXKL-HNNXBMFYSA-N	407.926	5.243	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1	510861433	YUCPPQPYUQQJTB-ZWKOTPCHSA-N	402.416	5.363	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1	511694819	HDHWIOLRICGXMI-GOSISDBHSA-N	423.541	6.548	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	512387871	WDBNMQNETJQHRV-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)ccc1OCc1ccncc1	512642134	MOBBXTULVVMQPI-SJORKVTESA-N	405.473	5.092	30	20	HKED	
N#Cc1ccc(Br)c(CN[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c1	513159687	MFSHGIWULHELRE-KRWDZBQOSA-N	408.221	5.195	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1	515118031	RCMIQVSOTVFZGC-UHFFFAOYSA-N	414.484	5.027	30	20	HKED	
C=CCN(C(=O)C[C@H]1CCCO1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	516464109	NPBCPRJGYDWXHW-OAQYLSRUSA-N	404.535	5.565	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)c3cccnc3)cc2)cc1	517645599	BOHOZAHIAWEREE-AREMUKBSSA-N	419.484	5.459	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC4CC4)cc3)n2)cc1	517800973	TYEODPLOSZNGKQ-HXUWFJFHSA-N	404.491	5.098	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1	518240124	SWQQADYUKRITCT-HNNXBMFYSA-N	410.470	5.644	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CCc3c(Cl)cccc32)cc1OC	518779208	DNUGGPZLYWHTHD-GOSISDBHSA-N	422.750	5.453	30	20	HKED	
C=CCN(C(=O)Nc1ccccc1CCC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1	520195077	RZTKQXSXHDVFQF-IBGZPJMESA-N	418.545	5.032	30	20	HKED	
CCCC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(OC)cc1	520940237	JXKMFXSLBNWWQK-PXNSSMCTSA-N	411.571	6.142	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)o2)cc1	521356707	JZDPUMRAANFCLR-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	521959550	HOYXUUNOFOBWTF-OAHLLOKOSA-N	405.420	5.332	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1	522707648	NZHBCDVLYOCVGD-CQSZACIVSA-N	405.420	5.591	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccccc1Cl	524389116	QOVRSLFERDKAMY-UHFFFAOYSA-N	406.869	5.117	30	20	HKED	
C[C@H](NC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)c1ccc(C#N)cc1	524932937	AKTMBNQTZLFTNQ-NSHDSACASA-N	413.852	5.749	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	524942468	JGAZHAVDNNADQP-UONOGXRCSA-N	421.312	5.163	30	20	HKED	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)CO2	531659394	MBSJYSRDLFOXSH-OAQYLSRUSA-N	400.503	5.023	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccccc2CCC(F)(F)F)cc1	534736610	USOXSQCOJWESHG-UHFFFAOYSA-N	414.349	5.258	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C1CC1	535555095	WMLBIIDMKIUUBK-RDTXWAMCSA-N	420.538	5.354	30	20	HKED	
Cc1cc(C)cc(-n2nc(NCc3cn(CCC#N)nc3-c3ccccc3)cc2C)c1	537414312	IJAJKTJMGLGHLD-UHFFFAOYSA-N	410.525	5.187	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2ccc(Cc3nnc4ccccn34)cc2)CC1	538834807	UVOWIMKILCPOAY-UHFFFAOYSA-N	407.521	5.136	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cccc4[nH]c(-c5cccs5)nc34)CC2)cc1	546833020	XMNNXEWREBUHAW-UHFFFAOYSA-N	410.502	5.093	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1	551831472	GSJMDHRPQOXKNU-QFIPXVFZSA-N	405.542	5.423	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ncsc1C(F)(F)F	554881301	HJYRCYYBTGBEOS-UHFFFAOYSA-N	419.403	5.328	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC=C(c3cccc(Br)c3)CC2)c(Cl)c1	555171661	OQKISYNEONRZEW-UHFFFAOYSA-N	416.706	5.295	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	560907845	FXCQOZITYJMDIY-JOCHJYFZSA-N	422.960	5.157	30	20	HKED	
N#Cc1ccc(Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1[N+](=O)[O-]	562247107	UVMNPKLIJSLKME-UHFFFAOYSA-N	402.197	5.099	30	20	HKED	
COc1cc(CNC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)ccc1C#N	562253371	WCMPUNXACQOBKJ-KRWDZBQOSA-N	405.523	5.101	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCCCSc3ccccc3)cc2)ccn1	563920307	GFKODVHOPXEAGC-UHFFFAOYSA-N	404.495	5.049	30	20	HKED	
Cc1cccc([C@@H](C)CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	564377641	HJRLZVSQWBJHIW-SFHVURJKSA-N	412.493	5.044	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1	565389957	HULKUVIOEIWKKA-WVBUVRCRSA-N	424.495	5.185	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1	565623292	ZUMCLWWDRDMBEL-MRXNPFEDSA-N	408.424	5.052	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1	571311358	FMTSVEXBFSKONQ-UHFFFAOYSA-N	421.497	5.186	30	20	HKED	
C=CCCCN(C)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1Cc1cccs1	578146416	PGOCDKLMQXXZNZ-SFTDATJTSA-N	408.571	5.036	30	20	HKED	
CC1CCC(OC2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)CC1	601187495	PNBNWEWLQLTGES-UHFFFAOYSA-N	417.553	5.073	30	20	HKED	
CSc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1[N+](=O)[O-]	603990868	ACOOVRNTBIQMNZ-UHFFFAOYSA-N	421.503	5.268	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CSC[C@H]3CCCCO3)cc2Cl)cc1	608941089	VFGQSCYROPZJFD-GOSISDBHSA-N	416.930	5.245	30	20	HKED	
N#Cc1ccsc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12	609059452	FTTOOYTZFNLDKA-UHFFFAOYSA-N	407.445	5.618	30	20	HKED	
CCOc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609061123	SLHVAMQEDGOOJM-UHFFFAOYSA-N	414.505	5.416	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OCC2CC2)cc1	609061187	UYDSQQAHNYLMGN-UHFFFAOYSA-N	412.489	5.487	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c1	609082479	LXUDEMKRSUJHPI-ZDUSSCGKSA-N	423.822	5.191	30	20	HKED	
C[C@H](NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccc(C#N)cc1	609261185	XZFLSKULGPSGKL-NYHFZMIOSA-N	408.473	5.547	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1Cl	609448514	FOALSKWFNSQAFI-LJQANCHMSA-N	409.804	5.295	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1	609508763	SWEMUPMBFFYFQQ-UHFFFAOYSA-N	407.272	5.124	30	20	HKED	
N#CCCn1cc(CNCC2(c3cccs3)CCCCC2)c(-c2ccccc2)n1	610090036	NRGNJBRICSNIMN-UHFFFAOYSA-N	404.583	5.517	30	20	HKED	
CCc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	610146304	LZZNPWWDGRTBFD-UHFFFAOYSA-N	401.485	5.172	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cc1ncc(-c2ccccc2Br)o1	610215547	PXZCZCDKWJCMRV-UHFFFAOYSA-N	424.342	5.634	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1	610224470	MJSXVKOYAACQDJ-QGZVFWFLSA-N	404.897	5.727	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)c1	611355636	FRZCWTWQGWZSJO-ZWKOTPCHSA-N	424.928	5.283	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1	615495221	BJBNLPSUYMNIMY-UHFFFAOYSA-N	417.912	5.181	30	20	HKED	
C=CCCO[C@H](C)C(=O)N(Cc1ccccc1)c1nc2ccc(OCC)cc2s1	620569230	WWKRJMLFWPQYDP-QGZVFWFLSA-N	410.539	5.209	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)s2)c(C)c1	643779410	UNXOXJYZVAFGTB-OAHLLOKOSA-N	401.413	5.331	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCc2c(F)ccc(F)c2C1	674564516	HAJATDBWNAEFIK-UHFFFAOYSA-N	406.301	5.209	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@H]1CCCc2c1cnn2C)c1ccc(C(F)(F)F)cc1	676761424	VWTYBRCMJQDEFX-OALUTQOASA-N	420.479	5.165	30	20	HKED	
Fc1cc(-c2ccncc2)ccc1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678206608	RWOLKFSLQYRAFC-IYBDPMFKSA-N	406.345	5.450	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1	727350550	AAMJWQJTSNHDGD-UHFFFAOYSA-N	421.460	5.056	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	729421019	VEECONGMSTYGJK-KRWDZBQOSA-N	423.538	5.372	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1	731063891	UTSHMKXBRAALLJ-LBPRGKRZSA-N	423.321	5.183	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(OC(F)(F)F)cc1	731196116	AGRWGNMKSKNNCH-CYBMUJFWSA-N	410.804	5.448	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(OC(F)F)c(Cl)c2)SC1=S	731501169	ZRXHRBOSMIKWGJ-NVNXTCNLSA-N	422.865	5.219	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1ccccc1CSc1nc(C)cs1	732019488	JINGZRFNEBWVRE-UHFFFAOYSA-N	410.564	5.239	30	20	HKED	
CCCCCCC[C@H](C)CNC(=O)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1	732449054	HZVORZMQAVSNLK-REWPJTCUSA-N	407.643	5.196	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1sccc1Br	733083793	QQDMTUJZMOYXNO-SNAWJCMRSA-N	421.297	5.438	30	20	HKED	
COCCOCc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	733622713	YCHNGVBVYIMHDC-DEOSSOPVSA-N	415.493	5.149	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Oc1cccc(Oc2ccccc2)c1)c1ccccc1	733677885	ISFOKTNGXMEHHG-UHFFFAOYSA-N	414.461	5.111	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)c1	733773974	KQBZHOUXEMQUIH-RCMYXZNBSA-N	422.834	5.369	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cnc(-c3ccc(C)cc3C)s2)c1	733774863	MMSPOEITEFSRGT-GOSISDBHSA-N	405.523	5.038	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)n1	735791855	CMDVYBXHFGWXIL-QGZVFWFLSA-N	418.547	5.419	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H](C)[C@H]2c2ccc(C)cc2)c1=S	738285890	VGDDNRHPFTUTQE-UGKGYDQZSA-N	419.598	5.401	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)NCCCc3c[nH]c4ccccc34)c2)s1	740059997	NRKVXMIPMXJMNZ-UHFFFAOYSA-N	414.534	5.200	30	20	HKED	
CC(C)(C)c1nc(C#N)c(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)o1	746498079	HQVYPGQYIPQWMW-UHFFFAOYSA-N	413.821	5.111	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2o1	746572553	NDJHBANXUNNVPK-INIZCTEOSA-N	413.502	5.384	30	20	HKED	
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NOCc1cccnc1	746587132	FWGAVCVAWUHMTL-UHFFFAOYSA-N	402.429	5.058	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1ncc(-c2cccc(Cl)c2)o1	748100098	DIXMTIMRUMZADY-UHFFFAOYSA-N	420.900	5.407	30	20	HKED	
O=C1/C(=C\c2ccc(O)c(F)c2)CC2(CCOCC2)C/C1=C/c1ccc(O)c(F)c1	755599953	WWLYICQBRKXHDW-XFQWXJFMSA-N	412.432	5.003	30	20	HKED	
Cc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1-c1ccc(F)cc1	756233257	JAPUYDAMWNLIQU-INIZCTEOSA-N	412.873	5.477	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1	756234948	ZTSKEJOCXPASOG-GOSISDBHSA-N	422.481	5.223	30	20	HKED	
C#CC[C@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccccc1	757772877	SKMNDAJTFUWQNY-IBGZPJMESA-N	407.901	5.135	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2cc(C)ccc2C)c1=S	761831808	OXINLGXXURFIMK-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
Fc1cccc2[nH]cc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)c12	763347450	ZUHCLZNIHXKPSR-UHFFFAOYSA-N	406.273	5.043	30	20	HKED	
Clc1ccc(-n2ccc(CON=Cc3cccc(OCc4ccncc4)c3)n2)cc1	767087352	ROYLYKLVCGBLAQ-UHFFFAOYSA-N	418.884	5.050	30	20	HKED	
N#C[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1cccc(Br)c1	768186929	YAOPRXPRXCHNLC-QGZVFWFLSA-N	415.287	5.311	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1	769863850	YSWANYBRHFLFNK-LJQANCHMSA-N	420.394	5.261	30	20	HKED	
CCN(Cc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1)C(=O)OC(C)(C)C	770529263	SOWAHSLXFTZHQE-GOSISDBHSA-N	409.530	5.347	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)ccc1OC	772986006	MNIZIYBUTNWUKH-QFBILLFUSA-N	407.539	5.350	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(Cl)c(N)c(Cl)c2)ccc1OC	774450891	VRCBTOHDVKQMQU-DOMZBBRYSA-N	408.329	5.116	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(OC)cc1	776084186	JLBWIBJOQOJVFN-UXHICEINSA-N	406.507	5.197	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(F)nc1)C(=O)c1ccccc1	777468205	PMJFDSFFMOQBJS-QNGOZBTKSA-N	402.469	5.251	30	20	HKED	
Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C	781308678	DAMBIVYUEDFORM-CYBMUJFWSA-N	416.930	5.004	30	20	HKED	
COc1ccc(NN=Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1Cl	782231133	SLWJCFBLGXAMDX-UHFFFAOYSA-N	418.881	5.075	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12	791129541	LWPGFYJPVCGKBO-QGZVFWFLSA-N	424.529	5.801	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1nccc2ccccc12	792090255	CSQSJKWMWYMWAN-DHLKQENFSA-N	412.489	6.084	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nccc2ccccc12	792093926	KXNSJNBVGIMTCP-LJQANCHMSA-N	417.921	5.795	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1	792094636	OYNUKCKCGUIKMM-LAUBAEHRSA-N	421.541	5.084	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)cc1Cl	796633467	OVJZTIKTIPSNMZ-HNNXBMFYSA-N	408.857	5.233	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CCN(c3nc4ccccc4s3)CC2)s1	797567283	FTYLYGAOSANKDB-OAHLLOKOSA-N	424.595	5.143	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(c3ccc(Br)cc3)CC2)s1	797570446	GZCQHZMSPUOCBP-CQSZACIVSA-N	403.345	5.111	30	20	HKED	
COc1ccc([C@H](CNC(=O)/C=C\c2ccccc2C#N)c2c[nH]c3ccccc23)cc1	799874653	VBUKXRODIYAJHE-INYRMVIESA-N	421.500	5.010	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)OCCCC2(C#N)CCOCC2)cc1	800077152	GVGDKBUKLABKLV-UHFFFAOYSA-N	420.534	5.108	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3cc(C#N)c4ccccc4n3)c2c1	809078144	DFWJVVHYHFOJGQ-UHFFFAOYSA-N	415.456	5.277	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1cc(C#N)ccc1Br	864020643	PAWMLXUSUTYQQB-UHFFFAOYSA-N	416.319	5.588	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)o2)cc1	915107095	LZYNXWKAGWUXHM-MRXNPFEDSA-N	420.419	5.204	30	20	HKED	
C/C=C/c1ccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OC)c1	915179464	FSKNZEACNSGRMM-HORZDZNUSA-N	412.489	5.401	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=S)N(CCN(C)C)Cc1ccc(C#N)cc1	916015714	GJGYHOLSTJQNKZ-UHFFFAOYSA-N	422.642	5.566	30	20	HKED	
COc1ccc2cc(C(=O)/C=C/c3cn(CCC#N)nc3-c3ccccc3)ccc2c1	916137450	UQVIWKLZYOLDKB-ACCUITESSA-N	407.473	5.522	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)nc2ccccc21	916845020	NQPNBIOFSDKEJP-YESZJQIVSA-N	412.518	5.109	30	20	HKED	
CC[C@@H](C)c1ccc(OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1	916856336	NBLDCHWZWZJWLK-MRXNPFEDSA-N	419.481	5.142	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccccc2)n1	916927247	HCNIDAMQANDVJB-ZDUSSCGKSA-N	416.289	5.078	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1	916950564	VDVXXLZWCKYYCK-RDTXWAMCSA-N	420.900	5.205	30	20	HKED	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917040262	JDTKPMZQIDIZLP-RHSMWYFYSA-N	411.452	5.373	30	20	HKED	
Cc1cccc(C)c1OCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917044419	TUJJXXNPRAKQQS-OAHLLOKOSA-N	418.440	5.577	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nnc2n1CCCCC2	917505278	NMMQMWYBQOEZQO-CCCPALQASA-N	422.941	5.276	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1OC2	920101777	IHBUENUHAWWNLF-QGZVFWFLSA-N	412.470	5.303	30	20	HKED	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1	1790451703	GTDWTGLJULHJTQ-UHFFFAOYSA-N	401.510	5.052	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c1	10172642	IBKVWKTUFZXQCT-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccc(C)cc3)no2)nnc1-c1ccc(Cl)cc1	10240154	UQBQGIYBJUAEJS-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(C)c2)c1	10830923	DBLCWJCEIYUPHJ-UHFFFAOYSA-O	409.962	5.604	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1C(C)(C)C	51677791	WCQCSUMIRUKMOY-LBPRGKRZSA-N	406.433	5.065	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1NC(=O)c1ccccc1F	54735697	QORVHGMJKFIXLS-QGZVFWFLSA-N	413.408	5.018	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1	56300782	KPMVBUPHZIZQJY-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
Cc1c(C(=O)N2CCCN(c3ccccc3C#N)CC2)oc2c1ccc1ccccc12	60665071	XQGIUJMODYCDAI-UHFFFAOYSA-N	409.489	5.119	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1	65471247	YWCNBJHVHLODRA-UHFFFAOYSA-N	406.433	5.173	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	71944572	AIILPMGJOISCJU-VWLOTQADSA-N	413.521	5.850	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1Br	78714803	JVTPSSHAIZHFIM-AWEZNQCLSA-N	418.360	5.365	30	20	HKED	
COc1cccc(SCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	115799096	QIRBHYLSPGOYRD-UHFFFAOYSA-N	420.509	5.027	30	20	HKED	
COc1cc(CN(C)c2c(C#N)cnc3ccc(OC(F)F)cc23)ccc1SC	302987223	LSEGGFIBEHYTAY-UHFFFAOYSA-N	415.465	5.075	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	303037730	VLSFARAJKMPUDT-KRWDZBQOSA-N	411.461	6.322	30	20	HKED	
N#Cc1nc(N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)ccc1C(F)(F)F	409713961	DUQVNRLUBLKKDL-QGZVFWFLSA-N	417.822	5.357	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2c(C)cc(C)cc2Br)cc1	431979986	FUOJANPEAAZCFP-UHFFFAOYSA-N	417.307	5.017	30	20	HKED	
CCOc1ccc(Br)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1	432795842	ZCZCPSSVEWRWTK-QGZVFWFLSA-N	416.319	5.404	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	433224311	YQGNHVMIDWQQRC-PSASIEDQSA-N	420.300	5.502	30	20	HKED	
Cc1cc(-c2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c3c(C)noc3n2)c(C)s1	434027561	ZGLSOQFJWOMFGQ-GOSISDBHSA-N	408.527	5.031	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1	435114605	UQOSBZIPUJMJFD-LEWJYISDSA-N	408.933	5.170	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1F	437491734	QDEUUTWOALCMMH-UHFFFAOYSA-N	415.468	5.338	30	20	HKED	
Cc1ccc(CCN(Cc2ccco2)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1	440257339	QTKUBHXBHZGSHC-DEOSSOPVSA-N	401.510	5.387	30	20	HKED	
COCc1nc(CNc2ccc(C(F)(F)F)c(C#N)c2)c(-c2ccccc2)s1	440646473	GDKKRKJFKBHZNV-UHFFFAOYSA-N	403.429	5.459	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	442672176	PKGPESZASVATGI-CYBMUJFWSA-N	401.944	5.862	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c2ccc(F)cc2O1	460296057	LFYKCQSQYRCBQJ-CQSZACIVSA-N	406.388	5.056	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC=C(c2ccccc2C(F)(F)F)CC1	460390336	SFWGZZIDCJVFJN-LJQANCHMSA-N	418.463	5.018	30	20	HKED	
C[C@@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)c1cccc(C#N)c1	462389607	CJTFXYLUTJNXHY-OAHLLOKOSA-N	420.406	5.048	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	463277098	RSVWYJOVGFOAFY-KRWDZBQOSA-N	415.468	5.157	30	20	HKED	
CCCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F	463932533	LNIUYAROMUKYMG-MZNJEOGPSA-N	419.475	5.363	30	20	HKED	
N#C[C@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1cc(C(F)(F)F)ccn1	464475513	VMBVQCIMSNFHTN-NSHDSACASA-N	415.223	6.112	30	20	HKED	
CO[C@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(Cl)c1	464595956	KLTNAXZSWDKKBA-JOCHJYFZSA-N	406.869	5.121	30	20	HKED	
COc1ccc([C@H](NC(=O)NCc2ccc(C#N)cc2)c2ccccc2Cl)c(C)c1	465515191	FONAANIINAZCJL-QHCPKHFHSA-N	419.912	5.118	30	20	HKED	
C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](c2ccco2)C1	465882280	WJTCQECAXQUKJM-VWEINGBSSA-N	407.514	5.024	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCCCC[C@@H]1/C=C\c1cccs1	466617911	KMRIBGDFDFVLSB-YUIUBULTSA-N	410.543	5.316	30	20	HKED	
N#C[C@@H]1N(C(=O)CCCCc2ccc(Cl)c(Cl)c2)CCC[C@]12CCCCO2	468653487	WBXIGZUTUBZOOP-PZJWPPBQSA-N	409.357	5.160	30	20	HKED	
CC(C)CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)(C)C	470546547	NALLYMOZWAOOKF-OAQYLSRUSA-N	412.578	5.242	30	20	HKED	
C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H](C)c1ccccc1	473630832	JMMIPMSTRLEGLK-GJZGRUSLSA-N	423.567	5.016	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1	475571573	VTVFASKBCKUEKG-UHFFFAOYSA-N	405.542	5.599	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCOc1ccc(C(F)(F)F)cn1	475580350	YKFRGFGPLAZNQP-UHFFFAOYSA-N	407.436	5.153	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1cccc(I)c1	476123966	XVEDGZOMWBOCDC-UHFFFAOYSA-N	419.306	5.324	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)cc1	479726537	WJTKNQNCISPTJX-UHFFFAOYSA-N	423.516	5.003	30	20	HKED	
C[C@H](NCc1nccn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	482254384	INELIWQTHIUDLO-VIFPVBQESA-N	419.291	5.334	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)sc2nc(C(F)(F)F)ccc12	483243142	XZKOTKIIAQOLOI-OAHLLOKOSA-N	411.408	5.662	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	483378089	PUEUYCCJTBULSL-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	486140303	AISFVQVAWQTGHK-IBGZPJMESA-N	420.516	5.041	30	20	HKED	
N#CCCN(C(=O)c1csc(Cc2ccccc2F)n1)C12CC3CC(CC(C3)C1)C2	486587827	QFZLFZAQOFONCI-UHFFFAOYSA-N	423.557	5.198	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(F)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2	487986079	SSTNACQQRHPGPU-KGLIPLIRSA-N	407.514	5.079	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)NC12CCC(C(F)(F)F)(CC1)CC2	488425644	UNWPAEDQNVWCOL-UHFFFAOYSA-N	414.427	5.736	30	20	HKED	
C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SC2CCCC2)cc1	488484895	VCQHQKVVXWSSEU-MHECFPHRSA-N	419.594	5.045	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1cc(C)sc1C	489625249	YWOBQLHQCQQWSR-UHFFFAOYSA-N	413.568	5.005	30	20	HKED	
CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	497885677	UUUCIQLYUCVZQZ-QHCPKHFHSA-N	421.953	5.337	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1	497899223	MECIWQQXBLFXRM-FQEVSTJZSA-N	418.928	5.903	30	20	HKED	
C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1cccc(C)c1	498030526	ILUWKKVASATHCR-UHFFFAOYSA-N	415.522	5.314	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C2CC2)cc1	504948056	HWVKGHVAOUYDJE-UHFFFAOYSA-N	423.822	5.349	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](CC1CCCC1)c1ccccc1	505267037	CYPPKYUTRKXRSK-HSZRJFAPSA-N	403.526	5.105	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(OCc2ccccc2)cc1	505332900	YSCLPBHZMMDTRN-DYXWJJEUSA-N	416.443	5.315	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	505512652	KWMYUOBUDAJLNB-ZDUSSCGKSA-N	424.353	5.343	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccc(Cl)cc1	505825701	KHUKLNAHRRULLH-CYBMUJFWSA-N	408.335	5.102	30	20	HKED	
CCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC	505934106	TYEDBFQRHNLUPX-HNNXBMFYSA-N	413.688	5.049	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC(C)(C)C)CC1	508829637	ZIVSCASZRHCMKT-INIZCTEOSA-N	418.969	5.041	30	20	HKED	
O=C(NCc1c(F)cccc1OC(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509212982	SRAIHRWMMXEKRP-CQSZACIVSA-N	424.316	5.059	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)on1	510045973	QVEAAZLWSFQYND-PZJWPPBQSA-N	420.900	5.661	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1CCCN(C2CCC2)C1	511284450	DFRIELOYVOPAGX-ICSRJNTNSA-N	419.594	5.092	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	511976959	KVAUBJOCMREDRW-BLLLJJGKSA-N	414.365	5.407	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1	513108406	NTGUVDFRIUGPRG-UHFFFAOYSA-N	412.361	5.124	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)sc2C)cc1	513192108	ZMKGNRSPLWUSRT-QGZVFWFLSA-N	416.424	5.636	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NCc1ccccc1Cl	513200139	GPTJCJHPCRGEDZ-INIZCTEOSA-N	405.885	5.121	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2C(C)C)cc1	513654888	NTSJAULLEKVKAA-KRWDZBQOSA-N	400.507	5.404	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)cc1	514558417	MOIXWOLZUUOLCG-UHFFFAOYSA-N	420.578	5.382	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1	515214752	KFDPOTZUPDMSEP-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)CCCc1ccc(Br)s1	515666709	IREJWPWCOHHPFK-UHFFFAOYSA-N	408.361	5.057	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)ccc1F	518147791	JODURTPQPHCDPI-UHFFFAOYSA-N	402.800	5.756	30	20	HKED	
C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1	523189177	SFLDCWLFKRRTPP-GOSISDBHSA-N	419.475	5.352	30	20	HKED	
CC(=O)Nc1ccc(C)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523959298	XMWSYKSKKPVOCU-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	524390995	OWALNUQUJGWGLX-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CCc1nc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1	524438129	QDYRWTVMLBVJGZ-UHFFFAOYSA-N	420.538	5.129	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C2CC2)cc1	524490259	CUQZKPGHPZIXTB-VWLOTQADSA-N	412.489	5.027	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCC(=O)OC(C)(C)C	524658864	KVNHEKKQSRQIHO-UHFFFAOYSA-N	423.513	5.245	30	20	HKED	
COc1ccc(SCCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	524820381	VBCLDXDUBMCENP-HNNXBMFYSA-N	416.568	5.076	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	524851352	BSRSBECHEMYRMB-KRWDZBQOSA-N	418.518	5.265	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	525136956	LQPNLHYQMYJICC-UHFFFAOYSA-N	409.389	5.180	30	20	HKED	
Cc1ccc(Nc2nnc(SCc3nnc(-c4cccc(C#N)c4)o3)s2)cc1C	525625568	STTSUWHLQDFGGH-UHFFFAOYSA-N	420.523	5.113	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)c2)cs1	530877633	NYFKHBDQYNILHL-KRWDZBQOSA-N	417.412	5.012	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3cccnc3)C3CC3)cc2Cl)cc1	535451885	RUZUJRSZUKOEHH-JOCHJYFZSA-N	418.884	5.672	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc2c1CN(c1nccs1)C2	535454739	NTEVKSYYQAKOTH-UHFFFAOYSA-N	422.513	5.454	30	20	HKED	
CCn1c(-c2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nc2cc(C#N)ccc21	536138335	YGWNXYJFLLSAMN-UHFFFAOYSA-N	421.913	5.389	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3CCc3ccccc3)cc2)nc1	536316181	SPBHBWVJOWEMSP-HSZRJFAPSA-N	411.505	5.373	30	20	HKED	
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	538523419	XTKKYPPSQVTQSC-AREMUKBSSA-N	423.560	6.012	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)s1	539208553	JSBDVTXOUKSUDD-QGZVFWFLSA-N	418.566	5.455	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	540329828	IBFCXMDSCAMUAQ-MAUKXSAKSA-N	401.963	5.414	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2Cl)n[nH]1	540512209	DOUMQQJDPRUENB-UHFFFAOYSA-N	413.868	5.225	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(Br)cc2Cl)C2CC2)cc1	542191135	BAWQJOORQNLQFJ-UHFFFAOYSA-N	404.695	5.171	30	20	HKED	
N#C[C@H](C(=O)c1cccnc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	542283750	FFHOOQUQFPZLQA-OAHLLOKOSA-N	414.317	5.879	30	20	HKED	
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1	551321331	ASLUVYZZUUIUPV-GOSISDBHSA-N	400.453	5.107	30	20	HKED	
O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	552211739	BRZKXBXJHGALFA-OLZOCXBDSA-N	411.361	5.471	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1ccco1	552448620	QQPYOFZSJWZBLA-OAQYLSRUSA-N	402.475	5.202	30	20	HKED	
Cc1sc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c(C#N)c1C	553053758	KACHQJYELRTMBW-UHFFFAOYSA-N	418.305	5.983	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc(Cl)c(F)cc3Cl)cc2)ccn1	557176282	MYCOLNKIPRMUAD-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#CCCn1cc(CN(Cc2ccc(F)cc2Cl)CC2CC2)c(-c2ccncc2)n1	568566597	WINCDTOEFUJBGN-UHFFFAOYSA-N	423.923	5.063	30	20	HKED	
Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)cc1	570353792	BIAGEFWNCAYUBN-OAQYLSRUSA-N	411.505	5.149	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](NCc1ccccc1-c1ccc(Cn3cccn3)cc1)CC2	570977765	DHHPQGXMGDHIQE-HHHXNRCGSA-N	404.517	5.247	30	20	HKED	
Cc1nc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1-c1ccccc1	580012215	PJOWCQGNEQUIHE-UHFFFAOYSA-N	412.493	5.004	30	20	HKED	
CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	584805596	VRXHSJPZJKLGFE-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
CC(C)(C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1)c1cc(F)cc(C#N)c1	588824609	CGCSRKBPKVMPSV-UHFFFAOYSA-N	416.481	5.285	30	20	HKED	
C=CCc1ccc(OCC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(OC)c1	594631890	OQDCVZOIYXLCQG-QFIPXVFZSA-N	404.510	5.038	30	20	HKED	
N#CCc1ccc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cc1	603751042	KWANQYXMDNVBMU-OAQYLSRUSA-N	421.294	5.274	30	20	HKED	
Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c2ccc(Br)cc2n1	603956636	XISZZHLSEQBVSK-UHFFFAOYSA-N	422.326	5.480	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3cc(Br)cs3)no2)c(F)c1	604069166	LSGRXXHOMCQBBB-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(F)cc4F)cc3)[nH]c12	605363341	VEFKZSVNMKUMON-KRWDZBQOSA-N	403.388	5.432	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1F	608847400	RZQAHXWJIGGBBG-GOSISDBHSA-N	402.469	5.603	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609047112	POHCWWGDKNCRCT-NRFANRHFSA-N	414.465	5.123	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCc2ccccc2C1	609058568	CRQZYDHFHDHKSG-QFIPXVFZSA-N	414.505	5.140	30	20	HKED	
CN(C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccc(C#N)cc1F	609217759	RJPBHAYJDLUMDI-UHFFFAOYSA-N	412.795	5.861	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609677920	MKGWCGNDGZKFTL-UZLBHIALSA-N	402.523	5.015	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)c1nnc(-c2cccc(Cl)c2)o1	609782891	QMRDPDDSSGPXHW-AWEZNQCLSA-N	418.909	6.177	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cc1F	611050090	JJKPRBJIZSIVMS-HXUWFJFHSA-N	405.404	5.608	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2ccc(F)cc2C(F)(F)F)n(-c2ccccc2)c1C	611467049	MRLPJVBMGXEQLT-UHFFFAOYSA-N	401.363	5.376	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2n1	613291075	SEUBTWYFAZUSJY-QFIPXVFZSA-N	414.468	5.578	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H](c2ccco2)C1	614137771	SURYBSUIHLGBGM-JXFKEZNVSA-N	402.454	5.344	30	20	HKED	
CC(C)(C#N)c1ccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1	614173399	OSWRRKCEMOOAGU-IBGZPJMESA-N	404.489	5.056	30	20	HKED	
N#Cc1ccc(C2(C(=O)N3CCC(c4nc(-c5ccccc5)cs4)CC3)CC2)cc1	614830499	KSYHLPRLKOHREP-UHFFFAOYSA-N	413.546	5.120	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1cc(CCc2ccccc2)[nH]n1	617273283	SUXSSJNUQKCEDG-MRXNPFEDSA-N	405.527	5.091	30	20	HKED	
Cc1ccc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2c1	674407875	MHIWWCVCZCVSBI-KRWDZBQOSA-N	401.466	5.660	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1F	676455992	DXBOYBAEHIWHQT-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c12	679536841	UWHYKBRBNPHIQK-KRWDZBQOSA-N	422.444	5.474	30	20	HKED	
Cc1oc(-c2cccs2)nc1COC(=O)c1occc1COc1cccc(C#N)c1	726691235	ATHJRHHCHIKIFS-UHFFFAOYSA-N	420.446	5.112	30	20	HKED	
COc1ccc(Cl)cc1NCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727102622	WHDGQVLVHJPWFN-FQEVSTJZSA-N	405.885	5.055	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(SC(F)F)c2)o1	727345352	SHYHYHRACBJFGD-UHFFFAOYSA-N	400.406	5.297	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1OC	730505431	BDPHVPRTRWQHAB-MOJYJUKOSA-N	420.534	5.274	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3cccc(OCC#N)c3)s2)cc1	730894843	CAEDRBDGTZVPQB-INIZCTEOSA-N	406.511	5.212	30	20	HKED	
Cc1nc2c(s1)C(=NNc1ncnc3scc(-c4ccc(F)cc4)c13)CCC2	730947457	SAXNNXSIDIWJAD-UHFFFAOYSA-N	409.515	5.415	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C	730952747	ULDFCNPVRGAMHQ-MRXNPFEDSA-N	422.579	5.212	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc2ccccc12	731071464	OIBMFFKTPIXIMN-CQSZACIVSA-N	410.520	5.091	30	20	HKED	
C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1Cl	731254434	LPRMWWPATUUXIO-HNNXBMFYSA-N	419.308	5.325	30	20	HKED	
Cc1cc(NN=C2CCC(NC(=O)OC(C)(C)C)CC2)nc2ccc(Cl)cc12	731925095	PQISMMNYVILIOW-UHFFFAOYSA-N	402.926	5.432	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl	732434747	FVYBNMFYYLKICS-SJKOYZFVSA-N	424.353	5.100	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)N[C@H](C#N)c3ccccc3Br)sc21	733266362	HOMYZARZQWHPLB-MRXNPFEDSA-N	424.323	5.150	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1	734761334	RKYKYIKOTFGRJE-AREMUKBSSA-N	405.976	5.068	30	20	HKED	
C=CC[C@@H](NC(=O)NC[C@@H](CC)Cc1cccc(Br)c1)c1ccncc1	737048058	RRTFXVKYLQKHPF-OXJNMPFZSA-N	416.363	5.029	30	20	HKED	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2cncc(F)c2)cc1	737446411	RYNVHBKLJGSDGP-XFXZXTDPSA-N	413.452	5.037	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(OCCN4CCCC4)cc3)c2)s1	740014033	LKRROCNPKLDZPK-UHFFFAOYSA-N	417.578	5.051	30	20	HKED	
COc1ccccc1-c1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1	741472332	VPRBZMXMXSJFME-JYRVWZFOSA-N	417.480	5.234	30	20	HKED	
CC(CCc1ccc(OC(F)F)cc1)=NNc1nc(-c2ccccn2)nc2c1CCC2	741812805	CBBPMAITZZBLOG-UHFFFAOYSA-N	423.467	5.049	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)ccc2C)cs1)c1ccc(F)cc1F	745999430	XHPIOIDMEMZWFR-VQHVLOKHSA-N	412.461	5.619	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1	752011493	BUDYCWCWNANCGT-NRFANRHFSA-N	409.917	5.020	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)[C@H](C)Oc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	763896276	MIFKYVMZZJPIQR-CABCVRRESA-N	410.857	5.247	30	20	HKED	
Cc1noc(C)c1CSc1ncccc1C(=O)OCc1ccccc1C(C)(C)C#N	767998221	PPJTXTSOEWTJAU-UHFFFAOYSA-N	421.522	5.137	30	20	HKED	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1C(F)(F)F	769615342	GRZSPVZXMHGKEQ-UHFFFAOYSA-N	409.301	5.904	30	20	HKED	
CC(C)(C)CC[C@H]1NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O	771814928	BXQOGBFEIAVBJD-AZUAARDMSA-N	409.917	5.247	30	20	HKED	
C[C@H](NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OCC#N)cc1	776156589	LTTYTBGSQROAKF-INIZCTEOSA-N	418.368	5.211	30	20	HKED	
CC(C)Oc1ccc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccncc2)cc1Cl	789156917	GZAQRTNWCFIKPF-XQRVVYSFSA-N	420.900	5.195	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	789387821	PSSVGYMUOVNNKF-UHFFFAOYSA-N	416.390	5.534	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NCc2ccc(Br)cc2C#N)c1	809188327	JCJDECVRBXJSDR-UHFFFAOYSA-N	402.292	5.137	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1O	811594065	URFJFKXVLQYMIT-UHFFFAOYSA-N	402.450	5.233	30	20	HKED	
CCN(c1ccc(NC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1)C(C)C	812454629	MPGIFSGPGXTARK-KRWDZBQOSA-N	412.946	5.430	30	20	HKED	
CCC(=NNc1ncnc2scc(-c3ccc(OC)cc3)c12)c1cccc(N)c1	814761857	XVYJJQKCYZYOPT-UHFFFAOYSA-N	403.511	5.175	30	20	HKED	
C=CCC(F)(F)C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	815311141	ZMENKBNTXQIRGY-UHFFFAOYSA-N	409.841	5.224	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)CC(C)C)c3cnn(C(C)C)c3n2)s1	822231193	FBEHLCCUGYXUIL-UHFFFAOYSA-N	409.559	5.061	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	915174967	JVNYIEVRQLLNSI-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916680450	GWKGPZQIXLJCKL-RUZDIDTESA-N	421.504	5.192	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)nc2ccccc21	916843730	NUOVVZBVUPQGIE-SIKDUDHDSA-N	401.466	5.331	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1	916843753	JNEADHPKDISVON-HNNXBMFYSA-N	414.328	5.112	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	916846029	DSRBFWKPHKEXFL-QGZVFWFLSA-N	418.547	5.067	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C#Cc2ccccc2)cc1	916911177	ZOYMWRZUGPXQAS-RUZDIDTESA-N	420.512	5.172	30	20	HKED	
N#C[C@H](C(=O)COC1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997505	ZYWRLSOZXOZKJQ-OAHLLOKOSA-N	409.338	5.642	30	20	HKED	
O=C(Nc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1Cl)c1ccco1	918152601	IHGIZXSVLGRJLM-UHFFFAOYSA-N	420.208	5.203	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3Cl)s2)cc1	918156835	URXHFBILKQPLLJ-DHZHZOJOSA-N	402.924	5.368	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)CSCc2ccc(Cl)cc2Cl)cc1	920110023	XRCZOFGNIVAEHI-QGZVFWFLSA-N	421.349	5.137	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3cc(C)cc(C)c3)n2)cc1	920138541	HBWHICMNOQXXOD-FQEVSTJZSA-N	406.507	5.081	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1	1786103787	BJGCLHOVPRABRS-UHFFFAOYSA-N	408.464	5.231	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ncsc34)cc2)CCC1	1789344496	WZRNKLLESSAIPS-INIZCTEOSA-N	419.550	5.256	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1	1789371317	YALRSOXPKANGIH-OAHLLOKOSA-N	407.539	5.189	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4nc(C)ccc4o3)CCC2)cc1	1791248077	RGQYDKWBFNTJAI-INIZCTEOSA-N	417.509	5.096	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1824140652	BQYSSNQYGWWCIB-DACFSCGWSA-N	420.597	5.088	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1	10538188	JXCWBNWUICXCKV-UHFFFAOYSA-N	406.511	5.358	30	20	HKED	
CCCN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2	22803381	QYSCEYDUBKVYHG-UHFFFAOYSA-O	422.401	5.098	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3	46706979	CEORBZAQVRNCGZ-NSHDSACASA-N	418.305	5.073	30	20	HKED	
Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	55823521	JCYZRYOWQSGDOH-LJQANCHMSA-N	400.478	5.046	30	20	HKED	
C=CCN(C(=O)Cc1ccc(C)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	58067833	GBLAZUVZAPKTMR-UHFFFAOYSA-N	418.349	5.582	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1)=C(\S)Nc1ccc2c(c1)CCC2	63440878	REHJKEPJVJWJHB-UHFFFAOYSA-O	419.545	5.215	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2cc3ccccc3nc2N2CCCCC2)cc1	236666424	HBOMIYGIXZLBNZ-UHFFFAOYSA-N	415.541	5.145	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2)cc1	303020948	LRAUTMQRJLDBGA-UHFFFAOYSA-N	417.515	5.717	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1	303305508	PNYCHFOMRNCEHV-QWHCGFSZSA-N	409.338	5.651	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cccc2ccccc12	303418471	XMESBNQQBCPPAL-GOSISDBHSA-N	403.551	5.162	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cc1	303436949	AASRPDUMQMLQOE-PKTZIBPZSA-N	420.434	5.308	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)CCCSc1ccc(Br)cc1	409471703	ZFFHPUQPGGMVAQ-UHFFFAOYSA-N	419.344	5.230	30	20	HKED	
CCc1cc(C#N)c(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)s1	427688069	KSBNYEVMPGNIKJ-NSHDSACASA-N	401.944	5.503	30	20	HKED	
N#Cc1c(F)cccc1CN[C@H](CC(F)(F)F)c1ccc(Br)cc1	428433224	BJEPTAYSQYAFGO-MRXNPFEDSA-N	401.201	5.243	30	20	HKED	
Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1	431812393	TVXDPVRAFVMFKY-UHFFFAOYSA-N	421.932	5.109	30	20	HKED	
N#CCCC[C@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1	431898960	ATBCSJVZRUMQLA-FQEVSTJZSA-N	415.459	5.471	30	20	HKED	
Cc1cccc2nc(C3CCN(C(=O)N[C@@H](CCC#N)c4ccccc4)CC3)oc12	436384106	FQGSJDQLZYWMFW-FQEVSTJZSA-N	402.498	5.070	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	437930327	DEEROGMDTUABAQ-IFMALSPDSA-N	407.514	5.178	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl	438070781	GDUYFZYIIPFXLR-XHDPSFHLSA-N	422.337	5.643	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1	438453372	ZJRKOYYMJJSSQU-UHFFFAOYSA-N	422.598	5.253	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cnn1-c1cccc(C#N)c1	439671021	ZDEKXCUGBIXHLO-HNNXBMFYSA-N	423.467	5.200	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c2ccccc21	444353971	VQYUXYNDCQMEMJ-UHFFFAOYSA-N	421.460	5.401	30	20	HKED	
N#Cc1cccc(/C=C\c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)c1	445371320	WWCJACXLXSVWFS-ZROIWOOFSA-N	422.444	5.085	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	446861907	NYGWINITNXJMSS-NRFANRHFSA-N	413.443	5.359	30	20	HKED	
CN(C)Cc1ccsc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	447084144	YFSNIJDDLYOOAL-LJQANCHMSA-N	409.942	5.371	30	20	HKED	
C[C@@H](C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1	462544755	NXDASHZTUZZEMI-PXAZEXFGSA-N	414.349	5.490	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C(F)(F)F)c1	463614237	NHFOIBKHOJUDOD-KGLIPLIRSA-N	406.473	6.210	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)c1cccc(C#N)c1	463679967	OCVLIYCQULCLJE-OAHLLOKOSA-N	410.395	6.112	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464415892	CERDMLCEBBKUGZ-CQSZACIVSA-N	405.376	5.162	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ncc(-c2ccccc2Br)o1	464817148	VGSGPDSHWLRVQG-ICSRJNTNSA-N	422.326	5.376	30	20	HKED	
COc1ccc(OC(F)F)c(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	465253564	MXSQSOXFPRIKCJ-CYBMUJFWSA-N	421.469	5.013	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnn1-c1ccccc1	470890259	UTZOLIGMZCCVRF-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1	475577155	ZRENAPNECUVYGV-QHCPKHFHSA-N	419.613	5.914	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1	475588007	XHQIXGLCKFBPES-UHFFFAOYSA-N	419.500	6.187	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COC/C=C/c1ccccc1	477082411	AUVNQFWHZJGZMW-XBXARRHUSA-N	420.456	5.380	30	20	HKED	
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	478016190	KMHHXYZWSSJMQD-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1	480323022	ZWGVBIDUQVSQLD-UHFFFAOYSA-N	412.436	5.327	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	482021131	RWDPVVPWKXBFQW-UHFFFAOYSA-N	424.570	5.295	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)c(OCc2ccccc2)c1	482562124	CGXXYDZHXWXVRM-FQEVSTJZSA-N	406.507	5.309	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nc(C(F)(F)F)n1	488692994	ZSZRXNTUQXGCBG-UHFFFAOYSA-N	412.371	5.029	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCCc3cccc(O)c32)cc1Cl	490864475	ZCXIBRCEEBBDDK-UHFFFAOYSA-N	404.853	5.303	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	494344606	BWFPCKBPOMHIFM-LSPINASFSA-N	419.550	5.244	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CSc3ccc(F)c(F)c3)c2)cc1	501435965	MTOJCVMWTYDGQR-UHFFFAOYSA-N	424.472	5.341	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(OCCCC#N)c2)ccc1NC(=O)c1ccco1	502651936	ONVUFSLLIWGFRV-UHFFFAOYSA-N	418.453	5.167	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(CCC#N)CCC(C)C	505206874	GWIIREYGCCNKIL-UHFFFAOYSA-N	421.372	5.127	30	20	HKED	
N#C[C@H](C(=O)NCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505454710	CUQJLPPJKNPUTF-OAHLLOKOSA-N	402.306	5.040	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccc(Cl)cc1	505809346	OCXDVXMFJMAZNR-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1cccc(C(F)(F)F)c1	505971936	SLYQZZZAEWTTGW-GOSISDBHSA-N	418.346	5.011	30	20	HKED	
O=C(N[C@H](c1nccs1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	507637129	AVJMKJAJSXDWBK-SECBINFHSA-N	422.272	5.214	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C)nc21	508848825	AWTLHMVGVNCYHH-AWEZNQCLSA-N	407.543	5.165	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3N3CCCCCC3)CC2)cc1	510063345	DFASSTUGYLTJBX-UHFFFAOYSA-N	418.541	5.014	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Cc2c(F)cccc2C#N)cc1	513348588	VIZCPQLFLYDKBJ-KRWDZBQOSA-N	402.469	5.135	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccc(Cl)c1Cl	517492334	VFXIXNYQJDQTPQ-HNNXBMFYSA-N	423.097	5.232	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1	518906456	GDYKRVZBEWLIPK-LEWJYISDSA-N	400.444	5.365	30	20	HKED	
COc1cccc(C2(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)CCCC2)c1	519450213	WLLMZGMQZWFIRV-GOSISDBHSA-N	423.582	5.580	30	20	HKED	
N#Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc1	520010449	WDWKKINPFSJZKH-UHFFFAOYSA-N	412.367	5.387	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F	522533350	IEYOCFKDVKPCAN-UXHICEINSA-N	420.434	5.621	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	523708281	TXYZPUCXZCMIFH-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCC2(c3ccccc3Br)CC2)cc1	524991595	SXPSJENYPFFRHA-UHFFFAOYSA-N	412.331	5.104	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)s1	525048680	BULMMAUDLRVVRV-QGZVFWFLSA-N	419.550	5.298	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1NC(=O)CC(C)C	525629415	CMJMBKGRQKZXKX-AWEZNQCLSA-N	409.555	5.290	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)Cc1ccccc1F	534490358	YMDUEVBLBZPWIV-UHFFFAOYSA-N	423.557	5.772	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1	534906293	NQNAQNGSJSQQJR-OAHLLOKOSA-N	408.889	5.272	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1nccn1CC(F)(F)F	535834099	ZGHBWUXAJBTUCC-UHFFFAOYSA-N	419.291	5.115	30	20	HKED	
C=CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CC1	536753155	KWKKLBCGMWBKHB-UHFFFAOYSA-N	403.404	5.140	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1noc(-c2ccccc2)n1	540611531	KIPFKGRXKWGSST-GOSISDBHSA-N	410.477	5.038	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	543323657	HIVRWSLDZUPKKW-UHFFFAOYSA-N	400.507	5.311	30	20	HKED	
N#Cc1cc(-c2nc(CCCOc3cccc4ccccc34)no2)cnc1C(F)(F)F	551367465	OOOXYTREKKHDRI-UHFFFAOYSA-N	424.382	5.187	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1cnn(C(C)C)c1	551896638	MMJIODNMQUGWLM-UHFFFAOYSA-N	423.542	5.055	30	20	HKED	
C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H]1c1ccsc1	562019519	KKZYAZVHDKPZIO-OAQYLSRUSA-N	401.539	5.391	30	20	HKED	
F[C@H](c1ccc(C(F)(F)F)cc1)c1nc(-c2ccnc(OCC(F)(F)F)c2)no1	570432204	HZOUBHDYYFGBQE-CYBMUJFWSA-N	421.272	5.150	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(OC4CCC4)cc3Cl)cc2)ccn1	573769175	LLEMATVVHHQUJK-UHFFFAOYSA-N	419.868	5.583	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	582456411	RKZMFYMMBIIHNL-UHFFFAOYSA-N	422.872	5.071	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1	589727172	MMWIERIAWBZJKQ-JOCHJYFZSA-N	417.553	5.302	30	20	HKED	
Cc1nc(NC(=O)c2cc(Br)c3ccccc3c2)sc1SCC#N	590200807	GSCBHZNSIQSOKI-UHFFFAOYSA-N	418.341	5.235	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603828903	CAKVKZWICZLQQX-CQSZACIVSA-N	408.408	5.249	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	603969087	APYTZTWCHDCULD-FQEVSTJZSA-N	404.491	5.097	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cc3ccccc3o2)cc1	604003891	PQJRBDYQFZPURZ-UHFFFAOYSA-N	410.473	5.649	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(OC4CCCC4)c3)o2)cc1	609056395	PRIAZWMLUIJTNN-UHFFFAOYSA-N	402.450	5.304	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3sccc3OC(F)F)cc2F)c1	609172660	HGPWAXJGPLIMGS-UHFFFAOYSA-N	418.396	5.192	30	20	HKED	
COc1cccc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)oc12	609378572	PHOXUPZDYATQGL-UHFFFAOYSA-N	420.412	5.718	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	609389509	VBUCUDSXUFZRRQ-BEFAXECRSA-N	419.015	6.557	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	609475699	XEYWUJOXYPHMJU-QGZVFWFLSA-N	421.460	5.146	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	609505442	JCEMWGCTIGONAE-BPLDGKMQSA-N	405.350	6.130	30	20	HKED	
N#Cc1ccc(NC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)cc1C#N	610231508	MZKHMGLYKMYTON-NRFANRHFSA-N	403.894	5.555	30	20	HKED	
Cc1nc(-c2ccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)s2)cs1	610245253	OMWDDOOQIOENCK-UHFFFAOYSA-N	407.480	5.120	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1	610323907	BXOLLXDIXXSFEU-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1cccc(C#N)c1	610364972	YUOQOSWODVPKNL-MRXNPFEDSA-N	413.502	5.483	30	20	HKED	
C=C(CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1	672481157	MLSHFFWQSAJFGT-UHFFFAOYSA-N	402.441	5.201	30	20	HKED	
N#CCCCOc1cccc(/C=C2/CCOc3cc(Br)ccc3C2=O)c1	726743825	QIBINPCXCBHCNV-VBKFSLOCSA-N	412.283	5.180	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1OC	727717919	QOOVEJUTULIIFK-LUAWRHEFSA-N	421.415	5.161	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)C(C)C)c1	728247824	IOFCERCWYZVQAF-VWLOTQADSA-N	409.485	5.177	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1	728479009	AXFMFKLXTXVNBX-UHFFFAOYSA-N	413.304	5.615	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cc1	728696965	BWTMDWZFYDPTMA-HMMSMWIJSA-N	401.437	5.592	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1	728698677	PDXYQBTVQJGJHO-RFRKOGIWSA-N	420.921	5.967	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1	730174815	OXPIUCUQIQTZFP-UHFFFAOYSA-N	401.441	5.342	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl	730688558	ZBRKNHZURCQHNZ-SMDDNHRTSA-N	409.700	5.173	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC1CCC(c2ccccc2)CC1	731137073	ZOLXUKITHUXDHO-TVNWEXPRSA-N	416.565	5.823	30	20	HKED	
CCN(C(=O)c1oc(COc2ccc(C=O)cc2)cc1C)[C@@H](C)c1ccc(C#N)cc1	731616434	LUSMJYRJRHSULF-SFHVURJKSA-N	416.477	5.075	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc2)nc1	732074898	XWSQTQYQAQSDDD-UHFFFAOYSA-N	412.493	5.378	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732495898	JZHVVOHEPNVEKR-GDBMZVCRSA-N	420.481	6.062	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccccc2F)C2CCCC2)c1	733849683	BWVLGTULPMLNDW-QFIPXVFZSA-N	423.532	5.204	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc(-c2ccncc2)cs1	734080931	AOLNUHGPOPNPTK-HXUWFJFHSA-N	411.486	5.198	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC(F)F	734206070	VOPQHQIUPGXCAB-HXUWFJFHSA-N	407.420	5.896	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)c1ccncc1	734457791	OYPKIPVVFHXALS-IBGZPJMESA-N	418.522	5.319	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	735318291	JVLBVPKJYOCOFS-HNNXBMFYSA-N	416.974	5.628	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)ccc1OC	742716407	YPVSDLLPSZYPHV-HNNXBMFYSA-N	413.905	5.204	30	20	HKED	
CC(=NNc1cc(Cl)nc(C)n1)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743441371	HMGANPKJXPWVAV-UHFFFAOYSA-N	409.708	5.075	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C=NNc1nc2cc(C(F)(F)F)ccc2s1	743445471	WCLBMZHGYOLTGN-UHFFFAOYSA-N	401.845	5.271	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	746137339	OXBJTTRJSHTJEV-CZUORRHYSA-N	417.456	5.184	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1	747194136	UPPZBCGFKJNPTA-BHIFYINESA-N	416.546	5.825	30	20	HKED	
O=C(/C=C\c1c(OC(F)F)ccc2ccccc12)c1ccc(N2CCOC2=O)cc1	748584536	SIXAHKHKRSGCIC-KHPPLWFESA-N	409.388	5.294	30	20	HKED	
C/C(=C/c1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	750683532	GXHBRUBSRGVQKC-NUTQULCTSA-N	414.436	5.369	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3cnc(-c4ccncc4)s3)s2)cc1	753145160	WKHITZSZTXFPBA-BQYQJAHWSA-N	403.532	5.842	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)c3cccc(OC)c3)n2)cc1	753395708	KKPXHTDWWJTGIL-YWZLYKJASA-N	406.507	5.197	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	753396096	SCRVZTIXVKBULV-LIRRHRJNSA-N	410.926	5.842	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3ccc(C)cc3C2=O)cs1	753900069	HJCGLVOIBQVBQR-CPNJWEJPSA-N	402.519	5.657	30	20	HKED	
O=C(/C=C/c1cnc(C2CCC2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	760266723	ZEVUIXILDYMVOF-JLHYYAGUSA-N	401.553	5.023	30	20	HKED	
Cn1c(CC(=NOCc2ncc(C(C)(C)C)o2)c2ccccc2)nc2ccccc21	760439061	XVTUNPANNZNBBU-UHFFFAOYSA-N	402.498	5.022	30	20	HKED	
C#CCCc1noc([C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)n1	761999060	KPZLOFXLYJARLW-CYBMUJFWSA-N	422.535	5.007	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2)c1	766635445	YPYIKSQWFWRRPW-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	770110071	IZQACVFVEMVATH-BEFAXECRSA-N	417.843	5.365	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	772666877	OSIVAFZNOPJLBI-SJCJKPOMSA-N	409.338	5.307	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1	775227183	MJFSOFUFFAPMHW-INIZCTEOSA-N	401.919	5.114	30	20	HKED	
CC(C)[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)N1CCCCC1	778606495	GOVGQWXLIICIHS-RHSMWYFYSA-N	409.477	5.002	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1	780145957	IXYRKARIOBVEFV-CYBMUJFWSA-N	405.504	5.568	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	780163568	IAAQMVVONTYFOS-QRQCRPRQSA-N	424.859	5.529	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1	781464238	UNFLMYQTWSSMMO-CQSZACIVSA-N	416.308	5.605	30	20	HKED	
C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C#N)c2)cc1	782204785	LSVYSMZTMYJIGU-HNNXBMFYSA-N	401.491	5.002	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)CC1CCC(C(F)(F)F)CC1	783375074	SNJGRWUPDWGJHE-UHFFFAOYSA-N	400.466	5.017	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(C)nc2-n2cc(Cl)cn2)cc1	786943986	AJUMHHXVCHODIV-MRXNPFEDSA-N	417.340	5.211	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2Br)c1	792503407	SWMFBZFPLBWGCK-ZDUSSCGKSA-N	422.710	5.105	30	20	HKED	
C=CCNC(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	796634054	HNLVRPFEQCANAH-GFCCVEGCSA-N	423.683	5.064	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CC3CC(c4ccccc4)C3)n2)cc1	798819753	IUBOQJZSFNBKHQ-VFIGECHUSA-N	402.519	5.579	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	800385374	AWCIVMPIIJXCIN-GXFFZTMASA-N	415.292	6.119	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1	802041936	JFZQPOPUGUGVKC-BKTGTZMESA-N	420.406	5.577	30	20	HKED	
C=C(C)COc1cc(CNc2cc([C@H](O)c3ccccn3)ccc2C)ccc1OC	812846190	GPZDHPZRZPIUKH-VWLOTQADSA-N	404.510	5.047	30	20	HKED	
C#CCC1(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)CCCCC1	814247706	SMQMMIPKDKTPTL-UHFFFAOYSA-N	415.577	5.135	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F	825482943	PBGLFIGDOUGLHX-UHFFFAOYSA-N	411.389	5.148	30	20	HKED	
CC(=NOCc1coc(-c2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F	884637576	STXWTSFMGKDRRA-UHFFFAOYSA-N	400.360	5.166	30	20	HKED	
N#CC(CCOC(=O)c1nc(Cl)ccc1Cl)(c1ccccc1)c1ccccc1	914883607	NXMIRNGZELELBK-UHFFFAOYSA-N	411.288	5.445	30	20	HKED	
C=CCN(C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1)C(C)C	915854706	STNVBNUAEJVROI-UHFFFAOYSA-N	418.331	5.073	30	20	HKED	
O=C(Nc1cccc(C=NNCc2cccc3cccnc23)c1)c1ccc(Cl)cc1	915962364	IJOJYFAQUDLLEE-UHFFFAOYSA-N	414.896	5.264	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1	916559464	XZQGCDALFKGXLQ-UHFFFAOYSA-N	409.825	5.292	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(Cl)cc2)s1	916907942	DDYFFCBVAYQILG-CQSZACIVSA-N	415.301	5.683	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)cc1	916912836	MDWWMXFXICBENH-ZOXUKVPXSA-N	418.493	5.477	30	20	HKED	
Cc1cc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1Cl	917025446	KSZCGZKQYVKFKL-SFHVURJKSA-N	410.926	5.807	30	20	HKED	
COc1ccc(SCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917044015	OILMQOHIXAQENG-HNNXBMFYSA-N	402.928	5.317	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S	917458179	VLEIKJWQUCJXTG-UHFFFAOYSA-N	421.545	5.296	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc3c(c2)OC(F)(F)O3)cc1	920072599	KKDLQIRNWDMEEW-GOSISDBHSA-N	423.444	5.472	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C)cc3)n2)cc1	920139573	VHFPDIQVFARNAP-FQEVSTJZSA-N	406.507	5.163	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1	1791247860	KCUGNYPXVNSJAW-QGZVFWFLSA-N	415.537	5.436	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccccc1CC	10174231	YBPSEHIVCNZRLK-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C)c2C)c1	22729343	NAUWHFBQQVYBFZ-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1	33180198	OSGPWCFWFLQSRJ-NSHDSACASA-N	400.265	5.320	30	20	HKED	
Cc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1[N+](=O)[O-]	41549377	HAGAHVCDHRTRFU-LBPRGKRZSA-N	405.357	5.022	30	20	HKED	
COCCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	56744576	OLWRBLFERIXPOS-UHFFFAOYSA-N	407.495	5.093	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1c(C)cc(Br)cc1OC	65984783	OXQXDRLYLJEDBN-UHFFFAOYSA-N	403.320	5.029	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1	237887385	BFIUWTOYQPIUKL-UHFFFAOYSA-N	423.948	5.121	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)cc3OC(F)F)n2)cc1	429354887	DQAMAKTZOHGVBV-OAHLLOKOSA-N	402.397	5.349	30	20	HKED	
CCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1	430004447	ZQMGDWHVDDQHQM-NRFANRHFSA-N	423.944	5.115	30	20	HKED	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	435102457	HTVISWLOIXWSCZ-KOSHJBKYSA-N	424.504	5.220	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1F	437485667	ZIBRPCAZMCCBPP-HSZRJFAPSA-N	402.425	5.132	30	20	HKED	
CCCc1c(NC(=O)c2ccc(SC3CC3)cc2)cnn1-c1cccc(C#N)c1	440096761	ZNBQXUXASYXOCW-UHFFFAOYSA-N	402.523	5.203	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)NCC2CCC(C#N)CC2)n1	441633848	MEWQOOIXINBLEI-UHFFFAOYSA-N	415.925	5.040	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2S[C@H](C)CC#N)cc1	446629664	BGRCFIAGMAQXPU-XMSQKQJNSA-N	423.582	5.255	30	20	HKED	
COc1ccccc1-c1csc([C@@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)n1	447381374	GUVJPDBSQBMBNL-YLJYHZDGSA-N	403.551	5.631	30	20	HKED	
FC(F)(F)CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)CC(F)(F)F	447847744	HMPUTHHMXYWNTI-UHFFFAOYSA-N	421.263	5.072	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	460955682	CNCVIKIWVCCEMN-GDIGMMSISA-N	421.372	5.600	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1nc(-c2ccccc2)cs1	465909102	WPHQHUKDFSZHIL-RBDMOPTHSA-N	416.550	5.352	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1C	467865770	VQPMHSKESCUPLS-OAHLLOKOSA-N	409.555	5.290	30	20	HKED	
CC(C)CO[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	469511620	FDAALMQVTBNHRB-CTNGQTDRSA-N	411.933	5.274	30	20	HKED	
C[C@H](O)C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1	469692267	VEHBSWVRXBDQLS-GHTZIAJQSA-N	415.493	5.027	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cc(F)c(Br)cc2C)c1C#N	474185207	PAKWFUARRXVVMC-UHFFFAOYSA-N	420.307	5.015	30	20	HKED	
COc1ccc(CC[C@@H]2CCCCN2C(=O)C[C@H](CC#N)c2ccccc2)cc1OC	475538200	QSFGXZXUZUKFGN-GOTSBHOMSA-N	420.553	5.105	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1	475581636	JZJUQLZQBIXZKC-XMMPIXPASA-N	421.585	5.042	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1ccc(F)c(F)c1	478920106	FDSALBPRPOUDEP-LJQANCHMSA-N	406.860	5.260	30	20	HKED	
CC(C)(CC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C(F)(F)F	480698947	OPHFJEYGNADXCQ-UHFFFAOYSA-N	403.273	5.134	30	20	HKED	
C=CCn1c(SCCOc2c(Cl)cccc2Cl)nnc1-c1ccccn1	481384649	AWUWHPDQLPTKQG-UHFFFAOYSA-N	407.326	5.004	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1cnc2ccccc2n1	483212471	RJAFKIDCANNTKM-AWEZNQCLSA-N	424.407	5.262	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@@H](CCCC#N)c1ccccc1	487236309	BLVKHXZUSLCQIQ-FQEVSTJZSA-N	424.342	5.333	30	20	HKED	
Cc1cc(Br)c(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl	487515141	OEDOEUPTNQXKNI-GOSISDBHSA-N	405.723	5.576	30	20	HKED	
Cc1c(C(=O)N2CCC(Oc3ccccc3Cl)CC2)sc2ccc(C#N)cc12	488794531	SDJTWXUNIKYYKE-UHFFFAOYSA-N	410.926	5.418	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1cccc(Cl)c1	489628370	MYDRXVOLJHJNNH-AWEZNQCLSA-N	423.929	5.688	30	20	HKED	
CC(C)c1cc(Br)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	492220112	SGZQPOZJGHOSIF-UHFFFAOYSA-N	412.209	5.110	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	494780874	SQEPTDYFCVIQEY-AWEZNQCLSA-N	423.410	5.519	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1	501158345	DLWZDKSWBVFZEO-UHFFFAOYSA-N	416.481	5.156	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(F)c1F	501314357	CRTJMTJZWRYCPP-MRXNPFEDSA-N	423.438	5.449	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc2n1	501474727	RDEUTWPCLYUVDY-UHFFFAOYSA-N	407.473	5.441	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(COc3cccc(F)c3)c2)c1	502292602	HXKIZDROQGQPSN-UHFFFAOYSA-N	419.456	5.731	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2c(F)cccc2Oc2ccccc2)c1	503217940	OPKPRXJJLXLVRP-UHFFFAOYSA-N	405.429	5.945	30	20	HKED	
CCOc1ccc2nc(-c3ccc(NC(=O)N4CCC(C)(C#N)CC4)cc3)sc2c1	506277969	WZOFRCQSKLCYGH-UHFFFAOYSA-N	420.538	5.520	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@H](C)c1ccc(C#N)cc1	508602497	DYRBREYMRITARE-GOSISDBHSA-N	418.566	5.591	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OC2CCCC2)CC1	508908726	VRJQTZANEUPCIB-FQEVSTJZSA-N	424.589	5.149	30	20	HKED	
C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510023653	OBLDBNIUOPRTDG-VGSWGCGISA-N	403.913	6.220	30	20	HKED	
Cc1cc(CN(C(=O)Cc2c(F)cccc2C#N)C2CCCC2)c2ccccc2n1	511727854	SRFRLYJLVYKGPH-UHFFFAOYSA-N	401.485	5.068	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=O)c3cn(CCCC#N)c4ccccc34)c2)cn1	513348396	KSHJOKWTFCHVOO-UHFFFAOYSA-N	424.504	5.576	30	20	HKED	
C=C(C)CN(CC)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	518613694	ZJERRBVNJQYJIK-AQTBWJFISA-N	421.522	5.560	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCSc1ccccc1	518668853	PWRZMGIETCKOKY-UHFFFAOYSA-N	410.486	5.832	30	20	HKED	
C[C@H](C#N)CNC(=O)c1sc2ccccc2c1CSc1ccccc1Cl	520359730	VXZCSBDUBJHENX-CYBMUJFWSA-N	400.956	5.736	30	20	HKED	
CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	523924901	HKLJLUDYJAKIPY-JOCHJYFZSA-N	419.569	6.012	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1ccccn1)c1ccc(C(F)(F)F)cc1	532761329	UIGRHFMPRUZFEX-UYAOXDASSA-N	403.448	5.654	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534926983	WMXYGGQSOFVABT-INIZCTEOSA-N	420.896	5.413	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	535971351	VAYSNLVWMFEROM-OAHLLOKOSA-N	423.504	5.348	30	20	HKED	
CN(C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1)c1ccccc1	536071118	OSNWNRYZYJXQFI-LJQANCHMSA-N	411.486	5.063	30	20	HKED	
CC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1c(C)noc1C	536075273	OSOZYCQYRDPVHG-LJQANCHMSA-N	409.873	5.490	30	20	HKED	
Cc1ccc([C@H](N[C@@H](C)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1	540606727	QPMUOBUDLPAGEU-UQBPGWFLSA-N	418.562	5.019	30	20	HKED	
N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)CC1	542913796	KVZYPHDZDNMLGN-VLGSPTGOSA-N	413.546	5.549	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1Cl	543472920	PCBCUZSRADMYLE-ZDUSSCGKSA-N	416.308	5.132	30	20	HKED	
C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(-c2cccc(C#N)c2)cc1	543944807	VWWARHCVRJJULX-INIZCTEOSA-N	415.459	5.660	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC(=O)c2ccccc21	550707600	SKDNGTOAUNYGQF-HSZRJFAPSA-N	412.464	5.299	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc3ccccc3s2)cc1	552641043	GIDKJDUFQGYMQF-UHFFFAOYSA-N	405.523	5.037	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1csc(-c2ncccc2F)n1	560500125	PZBKTOYEJFGDGF-UHFFFAOYSA-N	414.465	5.063	30	20	HKED	
N#CCCC[C@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)c1ccccc1	560563991	GFEWNDYUGJRRJO-SFHVURJKSA-N	400.313	5.099	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C	561354412	SZSLHWIGVQSQBN-UHFFFAOYSA-N	414.598	5.323	30	20	HKED	
Cc1ccc(Oc2cc(-c3noc([C@@H](C#N)Cc4ccc(C#N)cc4)n3)ccn2)cc1C	564610659	VPIMBBHMTZTSRE-OAQYLSRUSA-N	421.460	5.262	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc(Cl)c1Br	565438423	WACDHDGDLPUIPV-LLVKDONJSA-N	405.704	5.511	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC=C(c2ccc(Cl)c(Cl)c2)CC1	569412088	KCYQRRMGJQXJPE-IFXJQAMLSA-N	419.356	5.162	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cc2)ccn1	584811416	CXRYHSRVEMSVOR-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
N#C[C@H](C(=O)c1sccc1OC(F)F)c1nc2cc(C(F)(F)F)ccc2s1	591862284	NMMLPAHNBJUGNG-MRVPVSSYSA-N	418.368	5.468	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cn2)c1	603622710	CRBFVWITRIDXRJ-UHFFFAOYSA-N	421.460	5.061	30	20	HKED	
C=CCn1c(SCC(=O)C2CCCC2)nc2scc(-c3ccccc3)c2c1=O	607757357	CVVASHKUYQDCAL-UHFFFAOYSA-N	410.564	5.162	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1	608838541	UOGYMVMHVJWPRS-LJQANCHMSA-N	424.909	5.351	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(Cc1ccco1)c1ccccc1C#N	608897369	YXTZZMRIYJKDHA-HNNXBMFYSA-N	414.383	5.171	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1-c1ccccc1	609058627	IDMINWYFTOKWNQ-UHFFFAOYSA-N	408.457	5.674	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(F)cc3Br)c2)cc1	609176763	SWELVEYJLXXEBI-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	609261833	BTYRFEGRJHIWAN-OAQYLSRUSA-N	410.445	5.317	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	609376459	AMMOBFRZDKEWFA-YUELXQCFSA-N	405.350	5.987	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609504974	YDWUIPXAHJWENC-UHFFFAOYSA-N	409.898	5.763	30	20	HKED	
COCCOCc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	609602278	ZVQTZVOWNYKYIK-UHFFFAOYSA-N	417.465	5.158	30	20	HKED	
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	610019397	NVSXFSANNDQYEF-YYDVJCTNSA-N	407.583	6.394	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3cccs3)cc2Cl)cc1	615200862	ZRZUHNLGSIFMKG-UHFFFAOYSA-N	410.882	5.667	30	20	HKED	
C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1	675739798	ZZZUGYXBLHMDBY-DLOVCJGASA-N	405.329	5.848	30	20	HKED	
Cc1cccc(CN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2ccco2)c1	725795400	PCNGFDBECJBETH-FQEVSTJZSA-N	415.518	5.076	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cnc(-c2ccccc2Cl)s1	726754844	UBSFDOGXDSKKMZ-UHFFFAOYSA-N	418.909	5.213	30	20	HKED	
Cc1cc(C(F)(F)F)c(Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1	728201429	NTADENFVFRZWSA-UHFFFAOYSA-N	402.351	5.137	30	20	HKED	
C#Cc1cccc(N(C(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)C(C)C)c1	728246940	NXJJGLCJNBWKIX-UHFFFAOYSA-N	413.477	5.445	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)O[C@@H](c3ccccc3)c3cccnc3)o2)cc1	728419594	VLANGRSSHVYSCF-DEOSSOPVSA-N	410.429	5.072	30	20	HKED	
C#Cc1cccc(NC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)c1	729033601	PPYUUZHNCNOPMV-KRWDZBQOSA-N	401.329	5.131	30	20	HKED	
N#C[C@H](NC(=O)COc1c(Cl)cccc1Cl)c1cccc(Cl)c1Cl	731195243	BSUXGBUNSFJZGI-ZDUSSCGKSA-N	404.080	5.060	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c2ccccc21	731277861	SQERXHVCIDNOOA-GOTSBHOMSA-N	422.484	5.238	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)sc21	731645639	PFHBZUALLGETCU-INIZCTEOSA-N	413.424	5.406	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	732495084	POGYUMLXKXMNLR-XMMPIXPASA-N	423.472	5.069	30	20	HKED	
Cc1sc2ncn(Cc3cc(Cl)ccc3OCC#N)c(=O)c2c1-c1ccccc1	735230901	LCYNKYSRPIBZFR-UHFFFAOYSA-N	421.909	5.038	30	20	HKED	
Cc1ccc([C@H](NC(=O)CSCc2cc(Cl)ccc2OCC#N)C2CC2)cc1	735319992	HUTIJDLXXLEAIY-QFIPXVFZSA-N	414.958	5.052	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1	741934520	VDWNVFFNIMQCIY-MISYRCLQSA-N	403.309	5.094	30	20	HKED	
Cc1ncsc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C\c2scnc2C)C1=O	742431957	QVHAEKCJFDZQLZ-IADIARBNSA-N	417.559	5.508	30	20	HKED	
C=CCn1c(=S)n(CN(C)Cc2csc([C@@H](C)OCC)n2)c2ccccc21	743370568	FODOWXKWIONKSF-OAHLLOKOSA-N	402.589	5.002	30	20	HKED	
CN(C(=O)c1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCCC1	748569805	MEGNTWGYLNKMRP-QFIPXVFZSA-N	418.541	5.258	30	20	HKED	
CCN(CC#N)C(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1	751109441	QVRPLQUEMZNPTA-XLNRJJMWSA-N	402.519	5.240	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NOCc1ccc(C(F)(F)F)cc1	756490995	XBAABDKWNKIQPT-CYBMUJFWSA-N	409.433	5.353	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SC[C@@H](O)c1ccc(Cl)cc1Cl	759065700	IXKDWRBZTDQUJI-GOSISDBHSA-N	420.365	5.187	30	20	HKED	
O=C(Cc1c[nH]c2cc(Cl)ccc12)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764749464	GHHMMKVRGBNOLD-UHFFFAOYSA-N	423.687	5.078	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(C(F)(F)F)CC2)c1=S	765039788	SOVLREVXUNDMPA-UHFFFAOYSA-N	416.900	5.152	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	766275844	QRTJKELNUDMEDM-FQEVSTJZSA-N	402.519	5.656	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccn2)n1)c1nc(-c2ccc(Cl)cc2)cs1	768780785	BWCWZLOBUFMPLT-AWEZNQCLSA-N	422.922	5.472	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	768902679	LLSPZBWQBXPKJM-WBVHZDCISA-N	421.394	5.205	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C(F)(F)F)c1ccc(OCC#N)cc1	776170048	HRGYJKIYHGXBSE-GFCCVEGCSA-N	413.237	5.221	30	20	HKED	
CC[C@H](C)c1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)NC3CC3)c3ccccc3n2)cc1	780305326	IQHJDWKCZRWLPU-AOMKIAJQSA-N	411.505	5.016	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(C3(c4ccc(C#N)cc4)CC3)n2)c1	780354998	URBRZRJQBVLJHE-UHFFFAOYSA-N	402.454	5.035	30	20	HKED	
CC(C)(C)OC(=O)N1CCC([C@@H](NCc2ccc(C#N)cc2)c2ccc(F)cc2)CC1	782756362	IKZUASQAYFJMEP-QHCPKHFHSA-N	423.532	5.175	30	20	HKED	
COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1cc2cnn(C(C)C)c2nc1Cl	787182099	AIWTYAQNVADMJU-DAXSKMNVSA-N	418.280	5.002	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C/c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C2=O	788363532	UAPJORMTCMSEBY-MFOYZWKCSA-N	415.380	5.005	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCC[C@H](c4cccnc4)C3)nn2)c1	794982074	SDIZZUWQTGBOTA-HNNXBMFYSA-N	411.431	5.683	30	20	HKED	
C=CC[C@@H](N[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1	796308543	QMXBWYVASAIQFW-SUMWQHHRSA-N	411.855	5.378	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](OC(C)C)c3ccccc3)n2)cc1	796777154	ZAYXXPXKGOHGRH-DENIHFKCSA-N	406.507	5.161	30	20	HKED	
CCC[C@@]12CCCN1C(=O)N(c1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2=O	804200432	JAKGFEWCJVOTDS-XXBNENTESA-N	407.901	5.097	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)Cc1cccc(OCC#N)c1	810588537	RFFZRLUJEIOBLS-HNNXBMFYSA-N	410.470	5.007	30	20	HKED	
CC(=NNc1ncncc1Cl)c1sc(-c2ccccc2Br)nc1C	814909542	MUSXDHMTOAWWLM-UHFFFAOYSA-N	422.739	5.161	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2nc(-c3cccs3)oc2C)cc1OC	818268380	KTGPTXUKOTULOC-UHFFFAOYSA-N	406.891	5.323	30	20	HKED	
COc1ccc(-c2cnc(CCC(=O)N(O)Cc3cc(Cl)cc(Cl)c3)o2)cc1	901379691	CDUZDNSUDSTMNF-UHFFFAOYSA-N	421.280	5.008	30	20	HKED	
CC(C)c1nnc(S)n1N=Cc1ccc(-c2ccccc2Br)s1	912792240	WDHIOVKRGLJOHJ-UHFFFAOYSA-N	407.362	5.063	30	20	HKED	
C#Cc1cccc(NC(=O)C(=O)N[C@H](c2ccc([C@H](C)CC)cc2)c2cccs2)c1	915743491	OVHZMWNJHOLGAS-UZUQRXQVSA-N	416.546	5.087	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)sc21	916912257	ZSZSXHPXEVKDQB-AWEZNQCLSA-N	407.882	5.008	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2cccc(F)c12	916927216	GDSKYLJDXKZUSO-LLVKDONJSA-N	421.280	5.617	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1	916954814	KUDCRYDQTUYJNT-IERDGZPVSA-N	415.493	5.054	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3ccc4ccc(Cl)cc43)n2)cc1	920143227	OBTMKKXBPDWKEO-GOSISDBHSA-N	416.893	5.166	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	920144081	XILZBNYTCCYENL-UZLBHIALSA-N	420.534	5.587	30	20	HKED	
C=C(Br)CNC(=O)c1oc2ccccc2c1CSc1ccccc1F	921165918	DYNOQNDEKHWINY-UHFFFAOYSA-N	420.303	5.503	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3sccc3C)cc2)CCC1	1787279477	SPPVIRDGICDOQS-UHFFFAOYSA-N	404.482	5.016	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cnc(CCCCC)s3)cc2)CCC1	1791076788	HQSVLMBSONKYFC-UHFFFAOYSA-N	411.571	5.200	30	20	HKED	
C=C(C)CN(CC)C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12	11497474	RKTYXERXRYZQLB-UHFFFAOYSA-N	401.532	5.014	30	20	HKED	
C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccoc1C	14063893	BCDGKLQOVPBQMB-UHFFFAOYSA-N	423.325	5.070	30	20	HKED	
COc1cc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1O	20916659	ZMSKACITBSPYAB-PKNBQFBNSA-N	407.853	5.203	30	20	HKED	
N#CCCn1cc(CNCCc2nc(C3CCCCC3)cs2)c(-c2ccccc2)n1	237830467	ZYYJNGLBCQWEFU-UHFFFAOYSA-N	419.598	5.300	30	20	HKED	
CN(CC(=O)Nc1c(Cl)cccc1Cl)c1c(C#N)cnc2ccc(Cl)cc12	301541596	SESOOGLGCYDHHN-UHFFFAOYSA-N	419.699	5.142	30	20	HKED	
C=CCn1c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])nnc1C1CC1	302921962	QWQLNDWDJHPVKY-UHFFFAOYSA-N	404.801	5.073	30	20	HKED	
Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	303846923	UGWFKKZEUJOLEM-KRWDZBQOSA-N	419.550	5.568	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	410317989	VIGNLXCKCOGSFV-FQEVSTJZSA-N	413.521	5.398	30	20	HKED	
CCN(CCCC1(C#N)CCOCC1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1	410411520	QDIAPCFTIGOGIF-OAQYLSRUSA-N	406.570	5.846	30	20	HKED	
COC1CCC(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	429095154	GQTOFHOKFRPYJM-IOYBJCICSA-N	411.933	5.322	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1ccccc1)c1ccc(F)cc1	430956907	QLKILEWWRXDJJT-QHCPKHFHSA-N	404.510	5.693	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	432488138	CQUAZEKDPBFCEL-UHFFFAOYSA-N	419.431	5.251	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1	435363538	LBPFMCFONOLRPX-KRWDZBQOSA-N	404.539	5.642	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1OC2	436351278	CQTPTALGFJAPSD-PMACEKPBSA-N	400.503	5.219	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438646669	ZSRWCSXHJCEVCB-LLVKDONJSA-N	415.337	5.821	30	20	HKED	
CCCc1c(NC(=O)c2ccc(C)cc2Br)cnn1-c1cccc(C#N)c1	440087128	AWRIRDVYUSDJRL-UHFFFAOYSA-N	423.314	5.020	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)c1	441136554	CQLAACFQOWHKOZ-UHFFFAOYSA-N	417.431	5.128	30	20	HKED	
CN(C)c1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C(F)(F)F)c1	463413930	QQXZAJPXPONIKH-UHFFFAOYSA-N	412.280	5.321	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cccc(Cl)c2F)cc1	463462022	SVNZZQNLFJQLFH-UHFFFAOYSA-N	408.860	5.305	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2Cl)n1	464948286	DXMRAJJNQMOHTM-FXAWDEMLSA-N	407.926	5.375	30	20	HKED	
CC[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1OC(F)F	465588097	DMCSYAVJQDPVCT-UFYCRDLUSA-N	413.468	5.220	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3csc(-c4ccsc4)n3)ccc21	469073568	WBORAPBUFSLYIE-UHFFFAOYSA-N	408.552	5.067	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(Sc2ccccc2Cl)nn1	469084877	WYCKMQFVTCYQQO-UHFFFAOYSA-N	402.951	5.073	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(C)c1	470536386	CFDCWCWEMALHIT-IBGZPJMESA-N	418.541	5.111	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccsc2)O1	470586409	DDIILPZYHGUQLW-ZHRRBRCNSA-N	419.506	5.406	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)nc1-c1ccccc1	471180278	BVYYRNIRXCBHAG-NRFANRHFSA-N	414.509	5.112	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1-c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	473486156	FOOSJLDDMSOUIU-MRXNPFEDSA-N	423.856	5.748	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1	475548307	OBLFFEUWDZHUFI-UHFFFAOYSA-N	417.509	5.706	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1	475554018	LPHOMCGFKGRQKV-OAQYLSRUSA-N	411.634	6.047	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1ccc(OCC(F)(F)F)nc1	475554559	SPWAVWPHALKGBZ-UHFFFAOYSA-N	421.463	5.239	30	20	HKED	
CC(C)(C#N)CCC[S@](=O)Cc1csc(-c2ccc(Br)cc2)n1	476899831	RXASNGPFONUDAP-QHCPKHFHSA-N	411.390	5.151	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]1c1ccccc1	480311754	CKMVWQNZOWNMSG-KBMIEXCESA-N	411.505	5.557	30	20	HKED	
COc1ccccc1-c1csc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)n1	485121650	PJVPFJHWCKYLHH-QGZVFWFLSA-N	403.551	5.631	30	20	HKED	
CC(C)(C#N)c1ccccc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O	486581689	ABDLTLURGNMCJN-UHFFFAOYSA-N	403.482	5.114	30	20	HKED	
Cc1cc(NC(=O)CCCCOc2cccc(C#N)c2)ccc1Oc1ccncc1	487681851	ZYUSIMQTGZLGPU-UHFFFAOYSA-N	401.466	5.242	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1F	487959706	KVQQSOAODCMWFL-UHFFFAOYSA-N	418.321	5.900	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cnc(C)cn2)nc2sc(-c3ccccc3)cc2c1=O	488263867	KTBTXGNUKMUSIJ-HNNXBMFYSA-N	420.563	5.263	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1	488312441	UXPJFJUDXHQDPQ-WDEREUQCSA-N	414.478	5.296	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1	489478995	ALYDBKHJDHFJPG-XMMPIXPASA-N	406.574	5.223	30	20	HKED	
Cc1csc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1Br	489792510	AIWAGWXBBADNSI-UHFFFAOYSA-N	407.377	5.144	30	20	HKED	
CCCc1nc(C)c(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1	489999764	SFKITVNAOXVRHI-MRXNPFEDSA-N	402.498	5.035	30	20	HKED	
O=C(NCC1CCC(C(F)(F)F)CC1)Nc1cc(F)c(OC(F)F)cc1F	491346764	OEWCRASIAMQKJS-UHFFFAOYSA-N	402.310	5.056	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1	499185647	XREHGMGUJCFGQN-FDDCHVKYSA-N	422.573	5.080	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3ccc(CC#N)cc3)oc3ccccc23)s1	499302755	MDXSVQHNYVCNEY-UHFFFAOYSA-N	420.519	5.203	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nccc4ccccc34)s2)c(F)c1	502740587	MQQKTCAQVQACDO-GOSISDBHSA-N	417.465	5.305	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OCC)c(OC)c1	505240987	VSLYXNMBMVTKQC-CQSZACIVSA-N	408.951	5.268	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)n1	505351341	SQDZUKALUSFEGZ-INIZCTEOSA-N	415.280	5.161	30	20	HKED	
COc1ccc(Br)c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1	506534626	XWFWZFQPKFNLHI-UHFFFAOYSA-N	416.319	5.019	30	20	HKED	
CCn1ncc2c(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cc(-c3ccccc3)nc21	514790800	QLJZDRHWVBAXRH-UHFFFAOYSA-N	423.520	5.293	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1	515539214	JWBQWSBYEMQUPG-CQSZACIVSA-N	409.923	5.872	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1	517301710	MGQFTXVQBCGEQC-QFIPXVFZSA-N	422.500	6.238	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc(-c2ccncc2)cs1	518642018	JBCQBUFTVKIMAY-OAHLLOKOSA-N	422.922	5.472	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1	518742826	WSLSRFZHXIEKNE-LJQANCHMSA-N	413.521	5.375	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	518755476	JZOSITGDDFZHPD-IBGZPJMESA-N	419.550	6.217	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)n2)cc1	518907034	IRDMNEMOIBWXBJ-DLBZAZTESA-N	413.424	5.443	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1ccc(F)cc1C(F)(F)F	519896006	QXLXDBUNVLPKQN-LLVKDONJSA-N	422.344	5.766	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(Oc4cnccn4)c3)cc2)cc1	520322459	RNDGNHPNSXYJAZ-UHFFFAOYSA-N	422.444	5.380	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1	520477521	BATYKRPMHCJEKM-UHFFFAOYSA-N	417.484	5.719	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ncc(-c2ccccc2)[nH]1	521644881	XJZDLQTUUFLAGG-UHFFFAOYSA-N	410.502	5.030	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)N[C@@H](C)c2ccc(C#N)cc2)cc1OC	522840894	ABCSJJCJPCYVCN-YADARESESA-N	400.522	5.519	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)[nH]c2c1	523093801	XJTLEKAVPVAJJG-UHFFFAOYSA-N	413.433	5.101	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCc2ccccc21	532503434	NXFJKUJEZNOAOI-XMSQKQJNSA-N	407.583	5.419	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1	534688403	FQOZSGYVIBRTMS-JTSKRJEESA-N	405.929	5.754	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	536242302	CBEKPHKXCWMTQQ-PZGXJGMVSA-N	403.547	5.434	30	20	HKED	
CCN(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)c(Cl)c1	540273187	CAGSQWRVUQKUPY-HOTGVXAUSA-N	408.807	5.267	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	541201131	UJDPHENBDMZCHX-IBGZPJMESA-N	408.379	5.130	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	546004175	MXZIHQUMXGHMCV-OAQYLSRUSA-N	410.445	5.317	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	555126712	GXOJPODGQCIKFG-QGZVFWFLSA-N	400.482	5.308	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nccc2ccccc12	560595940	SNMJQRVPDQLYIX-CYBMUJFWSA-N	403.638	5.280	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	561240214	JTQCFXARTAQCLC-UHFFFAOYSA-N	421.545	5.220	30	20	HKED	
C[C@H](NCc1cc(C#N)ccc1Br)c1ccc(Oc2cccnc2)cc1	568322067	MYYVSGXTDPWVHB-HNNXBMFYSA-N	408.299	5.359	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)nc(C)n1	573471082	ZFWFMFGUVQGRHO-HNNXBMFYSA-N	417.412	5.211	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H](C)c1c(C)n[nH]c1C	580143726	BWUAGUYVJOLCCS-INIZCTEOSA-N	404.489	5.073	30	20	HKED	
C[C@@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccccc1	582579350	ADEXHXOEGAVHRR-INIZCTEOSA-N	411.962	5.010	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1OC(F)F	591780538	FBASNYNTMWZLAJ-UHFFFAOYSA-N	411.273	5.203	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2ccco2)cs1	603757698	IJEQMSGGVAXZQO-UHFFFAOYSA-N	403.488	5.678	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1	605030804	QETMJTWSVKSJRK-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
CCCNC(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	607434104	XXBOITLRYYKLKB-SFHVURJKSA-N	423.925	5.093	30	20	HKED	
Cc1cc([N+](=O)[O-])ccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	608798063	MUDLDCJAPAAAEA-ZDUSSCGKSA-N	405.357	5.022	30	20	HKED	
Cn1ccnc1-c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	609035026	HFMXVNWROYGBSH-UHFFFAOYSA-N	424.529	5.503	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	609103851	FDNINJNCHOZUMU-UHFFFAOYSA-N	418.468	5.454	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1cc2c(cc1Br)OCO2	609431729	HSAPXGHMIWXRGF-LBPRGKRZSA-N	405.317	5.184	30	20	HKED	
COCCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H](C)c1ccccc1	609499657	WQDAZUXNCZOPSU-FQEVSTJZSA-N	414.505	5.395	30	20	HKED	
COc1ccccc1[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccccc1	609505313	WEIDSJYHSXXXET-AREMUKBSSA-N	414.505	5.022	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(F)cc2OCC2CC2)c1	610123547	MPDBUHXWZWNBDA-UHFFFAOYSA-N	416.452	5.317	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc2ncccc2c1	610193198	PPIWUUBIRBMMRM-UHFFFAOYSA-N	415.474	5.008	30	20	HKED	
C=CCN(C(=O)c1cc2cccc(F)c2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	610220349	DPYSTWLQCIQGNC-UHFFFAOYSA-N	423.425	5.436	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OCC	612941807	ZIVOUHOUPVPZRO-IBGZPJMESA-N	420.534	5.796	30	20	HKED	
O=C(Nc1ccccc1OC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618540605	VIQWGJJPFHCPQD-DTORHVGOSA-N	424.263	5.180	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1nc2ccccc2o1	619753840	VIECJSYKSXSOOK-FQEVSTJZSA-N	422.419	5.310	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)CON=Cc2cccc(OCc3ccncc3)c2)cc1	727434574	LXIMQUYKMFKOPZ-IBGZPJMESA-N	417.509	5.163	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccccc1SCC#N	729421181	YDDNMKYYDRXEDZ-CYBMUJFWSA-N	411.527	5.364	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(Cl)c(Cl)c1	731643223	FDPFCPSQDNJFQO-MRXNPFEDSA-N	409.363	5.467	30	20	HKED	
CC(=NNc1oc(C)nc1C#N)c1ccc(Oc2ccc(Br)cc2)cc1	732528423	JGMVMROWFULIMD-UHFFFAOYSA-N	411.259	5.246	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)Cc3ccccc3OC)n2)cc1	733052254	HEARXAYTBDWADM-LJQANCHMSA-N	420.534	5.272	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccccn3)n2)CCOc2c(Br)cccc21	733748669	GMVIRNZJGJEYRA-ZRDIBKRKSA-N	413.296	5.016	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1	733806047	WKCLXQVKGHUBIT-IFMALSPDSA-N	411.521	5.483	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)c1	733851695	HPKALMJTMAUAPN-XUZZJYLKSA-N	421.541	5.203	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C2CC2)no1	735165807	QYWSFPVKOZLKPE-GFCCVEGCSA-N	409.829	5.182	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(OCC(F)(F)F)c(C)c1	738422356	BITPJQXWSYJPJE-OAHLLOKOSA-N	412.477	5.013	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CSC3CCCC3)c2)c1	741072590	ZAKIPOLRSGXBHK-NRFANRHFSA-N	423.582	5.865	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21	741196024	VDJWJQNHTAKMFM-YWZLYKJASA-N	404.491	5.070	30	20	HKED	
Cc1ccccc1CN(Cc1ccccc1)Cn1c(C)nnc1-c1cccc(C#N)c1	742149548	JQODWNHPZVEHLA-UHFFFAOYSA-N	407.521	5.094	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1	742263341	BGVLPNWCQGEZQZ-XMMPIXPASA-N	406.913	5.439	30	20	HKED	
CC(=O)Nc1cc(C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F	747784762	QJGLJIAKMORPCH-HNNXBMFYSA-N	423.284	5.263	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)[C@H](C)C2)cc1C	747971766	SKFPNGYFRVRINX-WOJBJXKFSA-N	422.598	5.440	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccsc1	749103792	CBXISWMTUIPVDN-QPJJXVBHSA-N	402.302	6.203	30	20	HKED	
CC(C)(C)OC(=O)N1CCC[C@](C)(CNC2CCC(C#N)(c3ccccc3)CC2)C1	753586218	FPTPAOVKDNXXJM-OOAAYMRMSA-N	411.590	5.017	30	20	HKED	
COc1ccccc1-c1ccc(/C=C\C(=O)c2cc(Br)ncc2F)cc1	762422781	MEIQSSSXLFMYDI-FLIBITNWSA-N	412.258	5.555	30	20	HKED	
C[C@@H](Cc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	765940243	WAKLJKJWBYVAON-XHDPSFHLSA-N	417.303	5.253	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)c3csc(-c4ncccc4F)n3)cc2)cc1	768781651	WILZKFANKNMXNY-UHFFFAOYSA-N	401.422	5.102	30	20	HKED	
CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccc(Cl)cc1Cl	772984306	DENSPKUMMHATIR-APWZRJJASA-N	407.341	5.924	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(C)C	773034870	GOOQWNBTRYHZIR-FQEVSTJZSA-N	420.431	5.168	30	20	HKED	
O=C1C/C(=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C(=O)c2ccccc2N1	774144676	KRJYBDDDVNFALE-SFQUDFHCSA-N	416.864	5.201	30	20	HKED	
COC[C@@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nccs1	774674894	VDNQTZYKZHQHIK-GOSISDBHSA-N	414.870	5.005	30	20	HKED	
N#CCCn1cc(CNc2ccc(N3CCCCC3)c(Cl)c2)c(-c2ccncc2)n1	788524593	RDEJEVZHJXIMGD-UHFFFAOYSA-N	420.948	5.115	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nccc2ccccc12	792106023	ZWJGLJKPAWBDFK-QFIPXVFZSA-N	414.896	5.110	30	20	HKED	
Cc1oc(C(C)C)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	796801116	VUMZFWNSBQSUPD-IBGZPJMESA-N	402.450	5.465	30	20	HKED	
COc1ccccc1-c1nc(CNc2ccc(OC(F)(F)F)c(C#N)c2)cs1	799593466	QEFQPQKOAMNIOI-UHFFFAOYSA-N	405.401	5.201	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	801660209	DIUQQZSBAXDSQW-UQBPGWFLSA-N	410.517	5.923	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C\C(=O)c1ccnc(O)c1	806556143	OGERBZYGRWVJSD-PLNGDYQASA-N	422.699	5.197	30	20	HKED	
N#Cc1ccc(CNCC[C@H](O)c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1	811507094	QMOQFSIYZHHVKJ-KRWDZBQOSA-N	403.231	5.097	30	20	HKED	
Cc1cccc(Br)c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	811900843	HGXAMGFGHNDIKF-UHFFFAOYSA-N	411.324	5.288	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)c1	916409678	FJZQNODWRRWVFU-UHFFFAOYSA-N	413.296	5.332	30	20	HKED	
COc1ccc(Cl)cc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916647143	MTAAQYDSJUTNOY-OAQYLSRUSA-N	405.885	5.326	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1	916906686	UTBJXFDKLKYETM-SFHVURJKSA-N	424.378	5.459	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997131	RMFSZXQXYILVBD-SBJJXXPASA-N	417.292	6.146	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H]2c2ccsc2)c1=S	917454670	IKUMIDIKXZQWRA-GOSISDBHSA-N	417.003	5.777	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2cccc(OC3CCCC3)c2)SC1=S	917645206	UYIXQUYSKHNLGI-DEDYPNTBSA-N	406.532	5.285	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141904	NGEAHCKCRXDVOA-LIRRHRJNSA-N	419.531	5.047	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)C2	1792573160	BIAUETQXSJGYRV-WKPBDKHMSA-N	414.634	5.224	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccccc2)CCCC1	1792859838	QTCFWGHMNDDFIS-NUNAXRQHSA-N	422.613	5.129	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCCC2)CC1	1829065778	BBQNZNNEUGPGQD-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1	1831377064	UPUCWZFELULCBG-OFVILXPXSA-N	424.629	5.184	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	20987558	BFOFVTAKOMNYRA-YVLHZVERSA-N	417.874	5.011	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1ncnc2sc(C)c(C)c12	23406401	QJSMKOCZKBOVHH-AWEZNQCLSA-N	403.598	5.065	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)OCc2csc(-c3ccsc3)n2)cc1OC	28084220	OLNMBHZHPGIOAC-FNORWQNLSA-N	413.520	5.202	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1O	33659774	RCJGRGBNECZUTP-WAYWQWQTSA-N	401.178	5.078	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	55569116	CNRYESKIFQKTLO-UHFFFAOYSA-N	413.502	5.644	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COCCc2ccccc2)cc1Cl	58685254	IQCUPCPOCXEQBY-JOCHJYFZSA-N	404.897	5.193	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1c2ccccc2Oc2ccccc21	62888534	NLRGVHDNXCFYPW-UHFFFAOYSA-N	400.434	5.047	30	20	HKED	
CCOc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	72030849	SXWJSTPXRHFPOY-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCn1ccc2ccccc21	105618004	IJTOBMDGNJKLJH-UHFFFAOYSA-N	411.530	5.484	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	107648714	VXQFLFMUTAYEEZ-AOMKIAJQSA-N	415.880	5.273	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(F)cc2)CCC1	107806984	YNLMFFGXLVOEPT-UHFFFAOYSA-N	401.441	5.254	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1F	205577987	LZLDKDMOMHTYOC-LUAWRHEFSA-N	413.452	5.037	30	20	HKED	
Cn1c([C@H](C#N)C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)nc2ccccc21	215642651	HXXVGNDWJBHSRG-HSZRJFAPSA-N	405.501	5.344	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(-n2cccn2)cc1	237454137	XLDURTSSBHEZSN-HXUWFJFHSA-N	408.505	5.174	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1cccc(OC)c1	303416375	WPCCLBNRTVRAIA-QZTJIDSGSA-N	411.571	5.111	30	20	HKED	
CCS[C@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1	303464997	PDKPOMUEABILGY-NRFANRHFSA-N	409.555	5.799	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1	303481313	KHIQYJMRZUJOLH-XMMPIXPASA-N	401.510	5.342	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1cccc(C)c1	303954297	ZXSZTOYVEFZLMV-KRWDZBQOSA-N	402.523	5.948	30	20	HKED	
O=C(NC[C@H]1CCC(F)(F)C1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	432465935	RIBZRHRGDCTTCG-CABZTGNLSA-N	404.301	5.043	30	20	HKED	
CC(C)[C@@H]1N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC12CCC2	432924682	ZNXPZNXHQPOWNT-QHCPKHFHSA-N	403.526	5.374	30	20	HKED	
CN(Cc1cc(F)cc(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	434140997	JOYDHDBLMQXFNS-UHFFFAOYSA-N	421.447	5.274	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1F	437459981	KVDZEUIQZOHRRA-UHFFFAOYSA-N	405.410	5.458	30	20	HKED	
CC(C)(C)c1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n(C(C)(C)C)n1	437971818	QLFIDIOXKWMXBQ-MOPGFXCFSA-N	407.562	5.239	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	438055187	XRLRFCAMYKVSQI-YFVAEKQCSA-N	404.539	5.385	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	438222811	BMPFILYRMACVSD-GOSISDBHSA-N	415.493	5.454	30	20	HKED	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	439016175	WRVTXNQIEMALBW-FCHUYYIVSA-N	404.510	5.400	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(F)cc1Br	440778094	AAKFOCJKSSRVAN-SNVBAGLBSA-N	411.271	5.231	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1F	442671849	MKQHQKLUGWQGIV-KRWDZBQOSA-N	421.497	5.424	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	444394758	WKLRCIKATPWKBC-ZDUSSCGKSA-N	412.852	5.585	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3nc4c(C(F)(F)F)cccc4s3)on2)c1	448134204	HVCUVBGLJJSNPZ-UHFFFAOYSA-N	414.368	5.094	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H](C)[C@H]1c1cccc(F)c1	460385691	GTFJMSXRDCCUQB-CYFREDJKSA-N	420.532	5.298	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F	463263906	XBJFGRUANKRSLI-UHFFFAOYSA-N	422.529	5.341	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(O[C@@H]2CCOC2)cc1	469100801	VOCBWCLRCLUVHM-HSZRJFAPSA-N	414.461	5.079	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	471259421	VXJWMSUDEAULAZ-HNAYVOBHSA-N	417.431	5.136	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(-c2ccccc2)nn1	472003436	SOANYSUBSJLAPE-UHFFFAOYSA-N	420.472	5.279	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1	474450104	VVCNPIAWSFOOGS-KRWDZBQOSA-N	420.494	5.277	30	20	HKED	
N#CC[C@H](CC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1	476663155	PJZCXKPKHLJHAV-LEWJYISDSA-N	415.562	5.119	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@]4(C3)OCc3ccccc34)c2)cc1	477592316	ZUBWBZNHJKXYCW-AREMUKBSSA-N	410.473	5.012	30	20	HKED	
Cn1cc(CNCc2ccc(Sc3ccccc3)cc2)c(-c2ccc(C#N)cc2)n1	478220673	ARPRCXWGJIHFOS-UHFFFAOYSA-N	410.546	5.400	30	20	HKED	
N#CCCCOc1cccc(/C=C\c2nc(O)c3cc(Br)sc3n2)c1	480041902	YUVUSUFAUAZWOR-SREVYHEPSA-N	416.300	5.012	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1	480625265	JRTGZMILHQCZGR-UHFFFAOYSA-N	415.468	5.206	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	481999517	PMHXEKCOTXSFAV-INIZCTEOSA-N	415.459	5.331	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(Oc2cccc(Br)c2)nc1	484470319	RUSMPWXABYDRCD-UHFFFAOYSA-N	416.319	5.181	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC	486241286	DZILNIPQWWIOGF-UHFFFAOYSA-N	424.566	5.242	30	20	HKED	
Cc1sc(CNC(=O)CSc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	486689517	QJABSEABWPUURW-UHFFFAOYSA-N	413.955	5.052	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1	490634668	AOIAOAOONYQDDM-UHFFFAOYSA-N	417.441	5.185	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)c3ccccc3n2)cc1	497804638	GYWFKYABDDQHRP-NRFANRHFSA-N	421.504	5.018	30	20	HKED	
COc1ccc([C@@H](NC(=O)NCC(C)(C)CCC#N)c2ccccc2Cl)c(C)c1	498378984	SDJUQKPHVPWJCP-OAQYLSRUSA-N	413.949	5.376	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Br)cc2C(F)(F)F)n1	499286617	BJPPQRZXZOOKQY-LLVKDONJSA-N	417.250	5.538	30	20	HKED	
CCc1cccnc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	500467089	VCRUIHSBDFAZGR-AWEZNQCLSA-N	402.306	5.564	30	20	HKED	
N#Cc1ccc(C2=CCN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)cc1	502548774	PCLZHEIDRAPQDM-UHFFFAOYSA-N	420.727	5.246	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cc(Cl)ccc3Cl)n2)cc1	505424301	ZPXUJSQMUFSELK-AWEZNQCLSA-N	413.289	5.234	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	505982559	SQVZKEAVLHIBHE-IKGGRYGDSA-N	412.333	5.209	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)cc1	506124175	FJRFCPGPLKUESC-UHFFFAOYSA-N	422.488	5.462	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)CC1	506958501	ZBIWVZZOLVRAAG-UHFFFAOYSA-N	422.287	6.082	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	509305190	TVMHSERPYAXEIC-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCSc1ccccc1	510524630	YBXYCPZNLRKRPF-UHFFFAOYSA-N	403.507	5.573	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	511337542	LJOJTYHQXPLMBQ-JOCHJYFZSA-N	405.542	5.269	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H]3CCC[C@@H]3c3cccc(C(F)(F)F)c3)o2)c1	511873866	CKMFZHXPPWMYCJ-MOPGFXCFSA-N	412.415	5.053	30	20	HKED	
C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)CCc1ccc(C#N)cc1	512340338	JDZMMAQEMDRHDV-IRXDYDNUSA-N	423.944	5.186	30	20	HKED	
Cc1nc(SCC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c(C)c1C	515027223	HXCHLUXLMRVKLQ-OAHLLOKOSA-N	421.488	5.209	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(s3)CC[C@@H](C)C4)n2)cc1	516269986	IKCFWLLTTYKTQK-CXAGYDPISA-N	408.548	5.495	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(C3(c4ccccc4)CCOCC3)no2)c2ccccc21	518006288	INMCVDWBEAQPQT-QXMHVHEDSA-N	424.504	5.205	30	20	HKED	
CCc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c3c2CCC3)cc1	521693986	VHHSOMKSIZWJLG-SFHVURJKSA-N	412.518	5.023	30	20	HKED	
C[C@@H](Cc1ccccc1F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	523903166	ZFXJGCMAGUYRDK-SFHVURJKSA-N	419.475	5.179	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OCC	524121836	JBACMQXYNSUDLN-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCSC[C@H]3c3ccccc3)c2)c1	524529267	CHUTYRDFMIKRKG-DEOSSOPVSA-N	414.530	5.068	30	20	HKED	
C=CCN(C(=O)Cc1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	533218210	HBWJPQFGKUFTHV-UHFFFAOYSA-N	404.322	5.274	30	20	HKED	
CC(=O)N(c1nc(CN(C)Cc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C	534487462	BXFZGJVARRKVRG-UHFFFAOYSA-N	418.566	5.257	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1F	534772746	VQEMBFDGHSDZGW-UHFFFAOYSA-N	413.264	5.653	30	20	HKED	
N#CC1(CCCSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)CCOCC1	537310953	LMXYBIRNFPWKII-UHFFFAOYSA-N	415.609	6.059	30	20	HKED	
COc1ccc(Br)c(NC(=O)c2ccccc2Oc2ccccc2C#N)c1	539755625	CTRNXRLYLHXIRY-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c(C#N)s1	540273332	GMMRUBFNZXQNOY-UHFFFAOYSA-N	414.918	5.192	30	20	HKED	
N#C[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccc(OC(F)(F)F)cc1	541219418	MKYHFNYMKPADKI-ABIUDSBCSA-N	408.342	5.025	30	20	HKED	
N#C[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccc(OC(F)(F)F)cc1	541219419	MKYHFNYMKPADKI-HGMXIMQMSA-N	408.342	5.025	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1F	542759728	CPDUVHNOTNRFFO-UHFFFAOYSA-N	420.400	5.137	30	20	HKED	
C[C@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1	543961467	KZIZDJFZXBKNGK-SFTDATJTSA-N	411.549	5.474	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3ccccc3[C@H]2C)cc1	548485426	IZASHZYSICHRAO-QGZVFWFLSA-N	413.477	5.510	30	20	HKED	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	554399011	JWRCYWXNMWLZHC-ODOSVJCGSA-N	422.960	5.086	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2o1	558841462	BWAHKPVARSVDSM-CYBMUJFWSA-N	413.380	5.460	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2Cc2ccccc2)c1	572059527	UCVBOKYSDQOKNJ-JOCHJYFZSA-N	411.534	5.268	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C	577544684	AEXIYVYOQLONAO-UYAOXDASSA-N	420.582	5.147	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)cc2)ccn1	577684504	IQFTZKWRGRPLON-ISJGIBHGSA-N	424.504	5.546	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N1CC[C@@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C1=O	584160394	IKQLWXYJTNUCNY-KPZWWZAWSA-N	408.420	5.170	30	20	HKED	
C=CCn1c(S[C@H](CC)C(=O)c2ccc(OC)cc2)nnc1-c1ccccc1F	594418255	SHSXOFDMKOHLQZ-LJQANCHMSA-N	411.502	5.032	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)cn2)cc1	603801678	FXAFUJURARSVMG-QHCPKHFHSA-N	410.433	5.250	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F	609081262	JVIHPDHEEYGYAO-UHFFFAOYSA-N	400.212	5.130	30	20	HKED	
Cc1cc(C)c(-c2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)o2)c(C)c1	609125317	XMCMFWYLSMNJOD-UHFFFAOYSA-N	415.522	5.320	30	20	HKED	
Cc1ccn2cc(-c3ccc(NC(=O)c4cc5ccccc5n4CC#N)cc3)nc2c1	609161334	FRWFNKIJEQKFGO-UHFFFAOYSA-N	405.461	5.040	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1occc1CSc1ccccc1	609377510	WNFPFZZRDSOHGZ-MRXNPFEDSA-N	408.548	6.076	30	20	HKED	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609722274	PZGWCVWZIGJNFQ-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
CCc1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nn1-c1ccccc1	609784801	DBBHMDOAHMBPCD-UHFFFAOYSA-N	423.476	5.054	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCS[C@H](c4ccccc4)C3)cn2)cc1	609807160	DEJFPDWVRKCYNF-NRFANRHFSA-N	416.506	5.068	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccccc3OC(F)F)c2)cc1	609815296	YMSQIQPWLQDSNI-UHFFFAOYSA-N	422.431	5.114	30	20	HKED	
CCOC(=O)c1sc(NC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c(C#N)c1C	609965619	BOUNZXPMNMLDPZ-NSHDSACASA-N	424.444	5.256	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609970989	XZFHXDFWLNEHLM-CYBMUJFWSA-N	410.436	5.668	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c(Cl)c1	611093417	QCENEECPSMINKE-SFHVURJKSA-N	422.743	5.085	30	20	HKED	
CCCCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H](C)c1ccc(C)o1	611264883	UPCNZMUIWHQJID-KMFTYDHNSA-N	424.545	5.118	30	20	HKED	
CC(C)(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)[nH]n1	613344932	WYYQUBSKONCPKN-GFCCVEGCSA-N	419.337	5.628	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccccc2SCC(F)(F)F)cc(OC)c1OC	616004774	WSPQAUULWVYLBS-UHFFFAOYSA-N	411.445	5.339	30	20	HKED	
CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1	619420846	DFICSJKMNPGWGQ-UHFFFAOYSA-N	419.308	5.392	30	20	HKED	
O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674443408	QVXDYMPWUXYQAR-OKILXGFUSA-N	420.328	5.064	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674563478	WTOFQRBVHJHNIG-DTORHVGOSA-N	412.227	5.049	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684121460	SAWHKPZEADBRIO-VXGBXAGGSA-N	403.313	5.192	30	20	HKED	
Clc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)cc1	725856811	YYHNTDWKSLMONB-UHFFFAOYSA-N	424.895	5.333	30	20	HKED	
C#Cc1cccc(N2C(=O)/C(=C\c3csc(-c4ccc(F)cc4)n3)SC2=S)c1	726626264	CIRLIVVXUMPXOW-WOJGMQOQSA-N	422.531	5.336	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)CON=Cc1cccc(OCc2ccncc2)c1	727435609	TXESYXORKMZLBS-UHFFFAOYSA-N	417.509	5.082	30	20	HKED	
COc1cc(C=NOCc2ncc(-c3cccc(Cl)c3)o2)ccc1OC(C)C	727477349	NEQIFRVYGXOEAH-UHFFFAOYSA-N	400.862	5.342	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc2c(c1)CCC2	727978917	OMVVCQQLPJSJBU-UHFFFAOYSA-N	413.546	5.743	30	20	HKED	
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730422307	VZEBHTVWWVHTBA-HXUWFJFHSA-N	400.478	5.834	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)c(C#N)c2n1CCC2	731939412	XFZPBAOKHPMEGM-NTMALXAHSA-N	403.463	5.147	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=S)Nc2ccc(Cl)c(Cl)c2)ccc1OC	733210972	HSVPFFDVVWYGOZ-CQSZACIVSA-N	424.353	5.170	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(COc3cccc(F)c3)c2)c1	733935421	HWBWYMYDEGWNIP-QFIPXVFZSA-N	418.468	5.016	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)[nH]c12	735790540	NAAGHTLTGNPGCA-CKDFRHGISA-N	401.466	5.629	30	20	HKED	
COc1ccc(Br)cc1CNCc1cccc(-c2ccc(C#N)s2)c1	740010769	HVSOHYSPTDNTHA-UHFFFAOYSA-N	413.340	5.348	30	20	HKED	
O=C(/C=C\c1ccc(O)c(Br)c1)c1ccc(-c2ccc(C(=O)O)o2)cc1	747122973	WQBSUXSASQRSGW-XFSBKJJWSA-N	413.223	5.009	30	20	HKED	
Cc1ccc(/C=C2/CN(Cc3ccccn3)C/C(=C/c3ccc(C)s3)C2=O)s1	747316963	HPPGCWDGXHEICK-ZAORYEFMSA-N	406.576	5.373	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)Nc2cccc(OCC#N)c2)C(C)C)s1	748443278	NANWVXOIHUURNS-UHFFFAOYSA-N	419.550	6.068	30	20	HKED	
COc1cccc(-c2nc(CON=C(c3ccccc3)C(F)(F)F)cs2)c1OC	751956199	PENMVICKUUYNCF-UHFFFAOYSA-N	422.428	5.311	30	20	HKED	
N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc(-c2c(F)cccc2F)cs1	766325468	ODMOJBJERLNMTK-YODVWZBWSA-N	416.468	5.573	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)Nc4ccn(CCC#N)n4)cc3C2)cc1	772351672	PDHUSUXTRSHKEP-UHFFFAOYSA-N	414.513	5.084	30	20	HKED	
N#CCOc1cccc(CC(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1	773842308	LQOUPMWYLBXHEL-FQEVSTJZSA-N	422.834	5.071	30	20	HKED	
N#CCOc1ccccc1C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774186512	HZPPYYNJKHBILK-SFHVURJKSA-N	408.807	5.142	30	20	HKED	
CCOc1ccc(C=NOCc2nc(-c3c(F)cccc3F)cs2)cc1OC	774720257	WTLVPMSJIFUNOK-UHFFFAOYSA-N	404.438	5.046	30	20	HKED	
CC(C)(C)c1ccc(C(C)(C)NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	775377159	VEACKXLCLFXXJX-HXUWFJFHSA-N	412.537	5.046	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)c1	776799496	FZVMAOASUJGRJW-UHFFFAOYSA-N	402.454	5.306	30	20	HKED	
N#C[C@@H](COC(=O)c1csc(-c2cccc3ccccc23)n1)Cc1cccs1	778326514	XVUYCPOEBALZHP-HNNXBMFYSA-N	404.516	5.564	30	20	HKED	
C=CCc1cc(C)cc(OC)c1OCc1nnc(-c2ccc(Br)s2)o1	783561900	ACIXPVJPMZVNTN-UHFFFAOYSA-N	421.316	5.185	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc(C(F)(F)F)c1F	785879574	CMTVUTZKXNEXJA-MRXNPFEDSA-N	414.358	5.267	30	20	HKED	
N#C[C@]1(F)CCN(Cn2nc(SCc3cccc4ccccc34)sc2=S)C1	786105714	GBOFLNQFDYEXOJ-LJQANCHMSA-N	416.572	5.015	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	789457124	SQYGAMRCGGTMCD-OALUTQOASA-N	415.578	5.496	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(C(F)F)c1)C(=O)Nc1ccccc1Oc1ccccc1	790767040	HKZMCYIAAKLMGA-IBGZPJMESA-N	420.415	5.307	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2cc3c(ccc4ccccc43)o2)cn1	792868486	FPOLOBYWJQJPDM-BENRWUELSA-N	406.441	5.948	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2csc(-c3ccccc3F)n2)cn1	792907746	XECHKQHTFMKMGG-ZHACJKMWSA-N	417.465	5.311	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1	793572544	ASWJRZWGMRAHQI-DLBZAZTESA-N	407.963	5.023	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccccn2)cc1Cl	813410001	LKRARHHYHGNEGN-SFHVURJKSA-N	413.868	5.033	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](c1ccccc1)c1ncc[nH]1	814577809	SKYUFOBXGOZPMT-DNQXCXABSA-N	421.504	5.318	30	20	HKED	
Cn1nccc1-c1ccccc1CNc1ccc(OCc2cccc(C#N)c2)c(F)c1	816564900	UDRBXVXIXAZGJV-UHFFFAOYSA-N	412.468	5.289	30	20	HKED	
N#C[C@@H](C(=O)c1coc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1	915104981	QDCGOLKGPORQOQ-VIFPVBQESA-N	415.190	5.161	30	20	HKED	
N#Cc1cccc(OCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1	916099656	LJTAAURIQJAMIS-UHFFFAOYSA-N	404.278	5.006	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)c1ccc2ccccc2n1	916848348	CJVDAYPRWBRGIX-LJQANCHMSA-N	407.311	5.587	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=S)Nc1ccccc1Oc1ccccc1	917594443	SCAZXKGSZOATJF-UHFFFAOYSA-N	404.535	5.873	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(Cc2ccc(OC)cc2)[C@@H](C)C2CC2)c1=S	919945976	VDLDAMNETATFAV-KRWDZBQOSA-N	424.570	5.127	30	20	HKED	
N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cccc4s3)CCC2)cc1	1787648116	GQOOHEWSZXXNGD-UHFFFAOYSA-N	423.925	5.216	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1	1790591864	XBACYJSHEVRNQV-UHFFFAOYSA-N	411.505	5.072	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(F)CCCCC2)[nH]n1	1814443477	YGLDACZSHMOERC-GOSISDBHSA-N	418.557	5.067	30	20	HKED	
CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1	1830017471	XAHIFTXNSZCGPV-RDPSFJRHSA-N	423.601	5.008	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccccc2Cl)c1	10827569	GNQZCTLPGMWSAX-UHFFFAOYSA-O	415.991	5.665	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2F)cc1	11171703	PLNMWHNJDKAMOL-UHFFFAOYSA-O	413.563	5.405	30	20	HKED	
CC(C)c1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccccc2)cc1	22728634	OYLOECPPAQGGGR-UHFFFAOYSA-O	411.497	5.427	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1	23603801	LARPMGDGADTYBI-UHFFFAOYSA-O	406.575	5.267	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nc3scc(-c4cccs4)c3c(=O)n2C)cc1	24725009	QDODHKRGEZUPBZ-OAHLLOKOSA-N	423.588	5.259	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	56800256	JFLSPSPAEQPXIU-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	57304528	RXLUHOPGTKIHJH-HXUWFJFHSA-N	419.356	5.017	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	63391586	MNPODIPVOSGBCO-UHFFFAOYSA-N	402.429	5.105	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2c1C	63661890	KLQCHEVDMFAVSJ-UHFFFAOYSA-N	424.595	5.099	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)n2)cc1	64379815	KIEQAHBWWMZZAE-DLBZAZTESA-N	424.323	5.186	30	20	HKED	
Cc1nc(NC(=O)CCCCc2ccc(Br)cc2)sc1SCC#N	107899595	VIDDOAFQZRIFDS-UHFFFAOYSA-N	424.389	5.181	30	20	HKED	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1occc1COc1cccc(C#N)c1	303107551	FIGXDUVBXBQLDG-HXUWFJFHSA-N	404.466	5.075	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccccc1-c1ccccc1	303396217	YZUVLKOIBRFNCU-QGZVFWFLSA-N	408.548	5.549	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1	303411643	UYXZHYCMIMCRKI-OAHLLOKOSA-N	421.488	5.170	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	303645733	IPKBLTQVNGQTLJ-SSEXGKCCSA-N	422.525	5.354	30	20	HKED	
COc1cc(CS[C@@H](C)c2cnc(C)cn2)ccc1OCc1cccc(C#N)c1	427840862	XGJBFAUAXBNZDN-KRWDZBQOSA-N	405.523	5.239	30	20	HKED	
Cc1sc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c(C#N)c1C	428376242	UXOPGNVCRVPGCK-UHFFFAOYSA-N	400.916	5.084	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)CC2	431626772	XLXGEOAPEFXFGX-NRFANRHFSA-N	414.461	5.036	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)cc1Cl	433744206	HHUVCRLESVSQGR-CYBMUJFWSA-N	408.807	5.418	30	20	HKED	
CN(C(=O)c1cc(C#N)cs1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	437557958	MVWHOUGAXPMCAM-UHFFFAOYSA-N	403.385	5.102	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1N1CCCCCC1	437687126	PCAUXIUEDXBYPY-JTHBVZDNSA-N	402.542	5.371	30	20	HKED	
C[C@@H](C1CC1)N(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CC1	437967092	YNQPYHCVKDPPPP-HNNXBMFYSA-N	409.917	5.585	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C	438224262	PAXGYSZDOITPEK-DENIHFKCSA-N	404.514	5.037	30	20	HKED	
CCCc1c(NC(=O)c2ccc(Oc3ccccc3)nc2)cnn1-c1cccc(C#N)c1	440081116	PBYWKRRTYGGYQF-UHFFFAOYSA-N	423.476	5.136	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4cscn4)c3)n2)cc1	442675987	GIUQFAOLCWGDNL-SFHVURJKSA-N	401.516	5.732	30	20	HKED	
C=CCN(C(=O)[C@H]1CCCC(F)(F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	443464269	VPGLXUOWHTUBMS-AWEZNQCLSA-N	407.442	5.063	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	443882581	JYJMCEQUWXWDFD-UHFFFAOYSA-N	423.419	5.852	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4Cl)no3)C2)n1	445462994	NGJDELVYNOQWTF-CQSZACIVSA-N	414.296	5.003	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)s1	463756182	OWFRNRDHVNBPEZ-MRXNPFEDSA-N	423.513	5.407	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@@H]1CCOC(C)(C)C1	464690121	VPPUPEXASZPNAV-GOSISDBHSA-N	412.917	5.424	30	20	HKED	
C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1	466124817	FIOAOVSLQLAYKZ-UZFJHSOTSA-N	423.944	5.162	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc3ccoc3c2)nnc1-c1ccc(Cl)cc1	467877078	HZEZPCGUQZHRMI-UHFFFAOYSA-N	424.913	5.262	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)ccc1F	468636133	XLNGTTBHVDGXRZ-ZDUSSCGKSA-N	408.951	5.603	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccccc1	474788264	QHNYBCPZSPOJBM-IBGZPJMESA-N	405.885	5.340	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	475567956	DWLWYCVVIRRLGN-JTHBVZDNSA-N	413.512	5.384	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1	475759185	KTBNDEZBFSKXEW-IBGZPJMESA-N	421.299	5.147	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)N(C)c1cc(Cl)ccc1C#N	479572921	GBQWJZHODKZARS-UHFFFAOYSA-N	407.695	5.038	30	20	HKED	
C=CCn1c(SCc2cc(-c3cccs3)on2)nnc1-c1cccc(OC)c1	481339965	BLXXAENLPPGUAK-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(CC)[C@@H](CC)c2ccccc2)nnc1-c1ccco1	481562809	MRORGTLONYUVAE-IBGZPJMESA-N	424.570	5.206	30	20	HKED	
CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	482906648	JUMVYLOJGCERSL-GGAORHGYSA-N	421.541	5.047	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	483434421	WAJMSCCXXZPNHA-AWEZNQCLSA-N	405.763	5.207	30	20	HKED	
CCCN1CCC(N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	483471790	ROPGPKKMDMKRDJ-JOCHJYFZSA-N	424.976	5.334	30	20	HKED	
COc1cccc(Cn2ccc3ccc(NC(=O)N(C)Cc4cccc(C#N)c4)cc32)c1	484142652	RUJDDEPSSJQPII-UHFFFAOYSA-N	424.504	5.234	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3C(F)(F)F)c2)cc1	484352500	RGAZTTNRAVUIGG-UHFFFAOYSA-N	400.331	5.761	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCCCc1cccc(F)c1	486126581	OBVQNPNIOAXHRJ-MRXNPFEDSA-N	402.560	5.382	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl	486252392	PTXJHOXVKSMGNP-UHFFFAOYSA-N	402.947	5.351	30	20	HKED	
Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)no1	501837856	CLXWNDSAERHCCC-NRFANRHFSA-N	416.481	5.108	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C	501842466	OYHSDVDJVOBHAL-HXUWFJFHSA-N	408.901	5.049	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1	502338222	MGIOSWXCDUXKJD-UHFFFAOYSA-N	407.499	5.070	30	20	HKED	
C[C@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Br)cc1	504015017	ZUZFHLBRNNCKAO-MRXNPFEDSA-N	409.327	5.130	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	506757947	GALNTLWKWPBPQD-MRXNPFEDSA-N	423.538	5.575	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	506761996	YADMJEJZJBPBSG-UHFFFAOYSA-N	420.900	5.841	30	20	HKED	
CC[C@](C)(C#N)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	506769058	YHCHFHPVIBIQNL-LJQANCHMSA-N	404.392	5.228	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1	507826187	BNZBVUMPMXBPFA-UHFFFAOYSA-N	419.377	6.052	30	20	HKED	
N#Cc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1	509664019	MCBADXPBPOEAST-KRWDZBQOSA-N	409.561	5.151	30	20	HKED	
C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511416086	RFDQBUVOLPJHBJ-CYFREDJKSA-N	421.541	5.048	30	20	HKED	
N#C[C@H](C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)c1ccccn1	511886333	SXVYAXVUVDHVPN-SFHVURJKSA-N	415.880	5.259	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1	512512189	RDZRPBWQNLMTCA-HIFRSBDPSA-N	408.502	5.251	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc3cccnc3s2)cc1Cl	513198046	YNYASUGGUVEEKB-MRXNPFEDSA-N	404.882	5.252	30	20	HKED	
N#Cc1ccc(N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c(F)c1	518814798	QWZZMCKHXWAZEF-UHFFFAOYSA-N	404.420	5.043	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)c1	518925961	QCKKBBUUOWFDQY-UHFFFAOYSA-N	416.496	5.475	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519052034	FUUXQRLZBSTNMO-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
CC(C)Oc1cccc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	519416051	BCWJOXIWRHMIIS-QGZVFWFLSA-N	414.596	5.740	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Cl)c2cccnc12	519422794	LUOLNIAJAHMINJ-CQSZACIVSA-N	411.914	5.157	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1	519451353	ABGHJDSAFZMHDU-GFCCVEGCSA-N	422.710	5.518	30	20	HKED	
C[C@@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1	520680275	GEAHSPGOYXEJCV-QGZVFWFLSA-N	404.897	5.211	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1	520827468	FVHIYIXQQQLNSW-CYBMUJFWSA-N	423.519	5.043	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)s2)c(C)c1	521177283	MOUWGUJFCXXQCN-MRXNPFEDSA-N	415.440	5.639	30	20	HKED	
CN(C)[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	521475020	MYIOJCFMAAOSCT-FYYLOGMGSA-N	403.913	5.237	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)cc2)nc1	521952169	IDDWNOYWONIPOX-RUZDIDTESA-N	423.447	5.404	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c12	522529161	DVDMSRTYNHRTCC-INIZCTEOSA-N	422.366	5.102	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	524231382	ZQIXHHUSKJGUHG-UHFFFAOYSA-N	408.405	5.037	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC3CC3)nc2)cc1Cl	524707280	HOFLYLRMIJOGNO-FQEVSTJZSA-N	402.885	5.217	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)c1	531232358	VAUIIPQOUGPTDM-UHFFFAOYSA-N	406.873	5.100	30	20	HKED	
COc1ccc(CNC2(c3c(Cl)cccc3Cl)CC2)cc1OCCCC#N	532105392	BGDMFWATRBAHHW-UHFFFAOYSA-N	405.325	5.463	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1ccc(I)cc1	538137272	DCNPXWZNQVMMIP-CYBMUJFWSA-N	408.308	5.155	30	20	HKED	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	538335780	NCNPBYZZMKGWSP-HJPURHCSSA-N	420.509	5.355	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	541066059	ZAAUARYGYLPABB-OAHLLOKOSA-N	416.456	5.205	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC(F)F	542946986	IWZIQJNAMUIRQK-MRXNPFEDSA-N	408.448	5.686	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	548955621	LKLJSDVQPZYUMG-PBHICJAKSA-N	411.493	5.667	30	20	HKED	
N#Cc1cscc1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	550693020	UMLPBTDXORBQJH-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2c[nH]nc2C)CC1)c1ccc(C(F)(F)F)cc1	551643912	GZKIRQLJIWOELJ-HXUWFJFHSA-N	420.479	5.333	30	20	HKED	
CC(C)(C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1)c1cc(F)cc(C#N)c1	553143165	ZTRFQXRVAWCATL-OAQYLSRUSA-N	400.444	5.063	30	20	HKED	
CC(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1F	553215975	PUYHBFVBGSZLBP-UHFFFAOYSA-N	404.466	5.445	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	553404156	QFGJNWKJCGTVDL-KKSFZXQISA-N	409.555	5.488	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1	555183307	HPNOURQGEKHHON-DEOSSOPVSA-N	413.569	5.193	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cnc1C(F)(F)F	555416486	OXZDFAWIVDNZPC-UHFFFAOYSA-N	414.214	5.084	30	20	HKED	
C[C@]12CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@@H]1C2(F)F	557301566	WVABZJODDWFWEM-ICSRJNTNSA-N	402.828	5.121	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C1CC1)C1(C#N)CCC1	560115187	PGNFZOGEVDEDDY-AWEZNQCLSA-N	415.946	5.054	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-c2csc(C)n2)cc1	565673583	HNHWXTCOLUKUGJ-UHFFFAOYSA-N	423.586	5.184	30	20	HKED	
N#CC1(c2nc(-c3cc(Br)sc3Br)no2)CCCCC1	582161039	TXSJIJLLVXMBBQ-UHFFFAOYSA-N	417.126	5.049	30	20	HKED	
N#Cc1cc(Oc2ccc(NCC(=O)Nc3cc(Cl)ccc3Cl)cc2)ccn1	584383086	CZHBQSZYKFVYGY-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
CN(Cc1ccccc1NC(=O)CCCCCC#N)C(=O)c1cc2ccccc2o1	588375682	URVDWZRBGPKZQB-UHFFFAOYSA-N	403.482	5.118	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncc(-c3ccccc3)[nH]2)c1	603454271	GVQTYXYCBZCOCN-SFHVURJKSA-N	404.539	5.121	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(Cc2cccs2)n1-c1ccccc1	604494985	DZMSUXPIHGFCQM-HXUWFJFHSA-N	402.548	5.147	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CSc2ccccc21	605235091	SHNGUPAZDBCDNR-QGZVFWFLSA-N	421.335	5.133	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	609398779	QEUDMEHMJVTVCL-FXAWDEMLSA-N	409.555	5.706	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1	609415122	YCYCAPKUUHRBHG-HXUWFJFHSA-N	423.969	5.685	30	20	HKED	
CCSc1nnc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1	609722548	LXFJWDMAVWTSBA-UHFFFAOYSA-N	416.915	5.220	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)s1	610176631	DPTXARAUYHZQCK-HNNXBMFYSA-N	423.513	5.650	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1	611030784	XUBSWQNMNOJCEP-INIZCTEOSA-N	416.321	5.075	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1	728913507	AACLYUCQDQHRGV-RDTXWAMCSA-N	409.942	5.352	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)nc(C)n1	729888796	KLTJPGNPZXRLAD-LBPRGKRZSA-N	420.719	5.214	30	20	HKED	
COc1ccccc1[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccccc1	730950475	OPDLZUIDIDBACR-OAQYLSRUSA-N	407.926	5.296	30	20	HKED	
COCCOc1cccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)c1	731936577	BDRKJJVACJJZOY-SSZFMOIBSA-N	409.482	5.187	30	20	HKED	
N#CCOc1ccc(CC(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)cc1	732015710	AZTIGOYKRLCODX-HHHXNRCGSA-N	406.485	5.190	30	20	HKED	
Cc1ncc(/C=C/C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1	732901424	RNQDALXLGYBDOU-KGBPQMDASA-N	409.580	5.266	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C	733070201	HAODWECKSNBFQL-SFHVURJKSA-N	422.554	5.083	30	20	HKED	
COc1ccc(Cl)cc1C(C)=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	733079467	CTDZXYQMEJNUHY-UHFFFAOYSA-N	421.810	5.056	30	20	HKED	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	733679125	DJGRJDCZNGGATI-IUODEOHRSA-N	400.862	5.246	30	20	HKED	
Cc1c(F)cccc1-c1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)o1	734295386	WXFJCLHPLDUHHU-UHFFFAOYSA-N	412.877	5.477	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(Nc2cccc(F)c2)s1	735230743	PTPJYKMTEJFJGH-UHFFFAOYSA-N	406.895	5.269	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1F	735396528	PQJJTTAHYYBXFU-FQEVSTJZSA-N	424.834	5.555	30	20	HKED	
CCO[C@H](C)c1nc(CON=C(C)c2ccc(-c3ccc(F)cc3)s2)cs1	736609099	UMDBGZKRRRLFHP-CQSZACIVSA-N	404.532	6.049	30	20	HKED	
COc1ccc(-c2ccc(/C=C\C(=O)c3c(Cl)nc4ccccn34)o2)c([N+](=O)[O-])c1	737446355	QQTNFEPQRKDJOH-TWGQIWQCSA-N	423.812	5.061	30	20	HKED	
O=C(/C=C\c1nccc2ccccc12)c1ccc(Br)cc1Br	740763362	AGJXGMGKKKODRV-FPLPWBNLSA-N	417.100	5.656	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(F)c1	744035580	PDENHITUZPJTJM-MEDUHNTESA-N	419.308	6.236	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@]3(C)CCc4ccccc4C3)n2)cc1	744063181	YVRGOMAMTIKJPX-HYBUGGRVSA-N	402.519	5.190	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1	747108841	KSCOJJYFCIRAKV-BXKDBHETSA-N	413.663	5.237	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1	747198051	RXIBUCFCDJVCDO-MRXNPFEDSA-N	410.568	5.038	30	20	HKED	
Cc1nc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)sc1-c1ccccc1	751995559	NCPXKGNZSFSDPX-UXHICEINSA-N	402.523	5.422	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(C=NOc3ccccc3C(F)(F)F)c2)cc1	754712925	XPQKVVYXWMCIFM-UHFFFAOYSA-N	414.383	5.379	30	20	HKED	
CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	757614888	NJBPHLGJSGASIH-ZDUSSCGKSA-N	408.289	5.010	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2(c3c(Cl)cccc3Cl)CC2)c1	760170972	OLTAXBLGOPOOGC-HNNXBMFYSA-N	418.324	5.163	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccc(F)cc1OCC#N	760784527	UGLIXVINAPUWGM-UHFFFAOYSA-N	407.879	5.127	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1	772907646	AUDJBQBYYVSSON-UHFFFAOYSA-N	403.294	5.047	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	780584404	NIESNEFHGQIHOO-HOTGVXAUSA-N	424.501	5.207	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	788026849	GEYQSEYOSNVXAU-UHFFFAOYSA-N	422.495	5.073	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C/c3cc(Br)c(Cl)s3)cc2N1	790225929	YGJFQZZFDQCYGP-OWOJBTEDSA-N	420.762	5.166	30	20	HKED	
N#CCOc1ccc(CC(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	791905655	DWOWANBKLVHPEO-OAQYLSRUSA-N	416.443	5.294	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nccc2ccccc12	792094013	LRZZYJRZKKZTCB-SFHVURJKSA-N	411.324	5.107	30	20	HKED	
CN(C)Cc1cnc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)s1	794708582	SKASVYAAHNIXMF-UKTHLTGXSA-N	415.971	5.194	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1	809086721	CQYLIMBGWTUYOX-OKILXGFUSA-N	402.903	5.141	30	20	HKED	
N#Cc1c(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)sc2c1CCCC2	863967374	YSHDDUGSRUDPPF-CJKMCJCZSA-N	419.388	5.171	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997111	QYFNYMOWDQVBGT-RRGWEWPQSA-N	417.292	6.146	30	20	HKED	
COCCOc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1	917143661	MBAXIVLQKPOVGU-FXBPSFAMSA-N	415.514	5.745	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1	919980206	FSQDTTKIPRJMIS-DEOSSOPVSA-N	414.480	5.168	30	20	HKED	
Cn1cc(C=NN(Cc2ccccc2)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1	920357786	VVEUUIMMCKTSAC-UHFFFAOYSA-N	411.465	5.036	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nc3ccccc3s2)cc1C	920839594	XNEZYVVOCZDYDL-UHFFFAOYSA-N	416.506	5.047	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1	1787662935	RAQZVLHQKCLYBS-UHFFFAOYSA-N	409.917	5.005	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826529230	DYHRVEJHJWPDMM-AWRZONTFSA-N	420.597	5.088	30	20	HKED	
CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1	1831467562	RSRZXLIKGRYWLT-GBXCKJPGSA-N	423.601	5.008	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccoc1C	6912032	IUTYSCXFNCPONR-UHFFFAOYSA-N	410.543	5.061	30	20	HKED	
Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1	10317362	QGBSSWUSUVBIEY-MRXNPFEDSA-N	423.567	5.018	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1c(C)cccc1C	11153463	CZSLUZMWSMQXGH-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1C1CC1	23517191	KVJUCRYZEJYTHO-KRWDZBQOSA-N	418.566	5.052	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Br)s3)c2)c1	31776971	HZFWEWYVPSHWMP-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	41500567	KIHYKAPSZCXZCY-MRXNPFEDSA-N	419.531	5.684	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2o1	41545269	DMGWDHBBIOAMTF-INIZCTEOSA-N	410.458	5.232	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccccc2)c(C)[nH]1	55013207	XCBBZVLSTLEKGO-UHFFFAOYSA-O	400.527	5.123	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1	58415790	NZAKXCXLVBWEKB-UHFFFAOYSA-N	415.493	5.340	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	62390030	DETVWGNWUXJLCQ-UHFFFAOYSA-N	413.521	5.510	30	20	HKED	
N#Cc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl	105472740	OANSALPPUXYOII-UHFFFAOYSA-N	420.683	5.745	30	20	HKED	
CCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	107888340	RGMKOHBLSNBNGV-UHFFFAOYSA-N	415.518	5.020	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1	108457079	MRZJUFXMAGOWOK-UHFFFAOYSA-N	419.909	5.046	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccccc2F)cc1)c1cccc(N2CCOC2=O)c1	214908228	OAHVLJPFNZPYGF-RAXLEYEMSA-N	417.436	5.257	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(N(C)CCC#N)cc3)s2)cc1	237473180	ZKJNDTOEHJFMRP-QGZVFWFLSA-N	420.582	5.328	30	20	HKED	
C=CCN(C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(-c2ccccc2)cs1	302683292	CXLMTCWYLYZVMH-UHFFFAOYSA-N	416.506	5.012	30	20	HKED	
CSc1ccsc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	303291408	KUYONRBSWIPCFJ-UHFFFAOYSA-N	414.939	5.826	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc1	303527366	RBFLSDIAIBIFND-UXHICEINSA-N	402.416	5.154	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1	303952424	ZKFJTFNYTWSQRK-FQEVSTJZSA-N	413.949	5.155	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(C)c1	428931355	ZVQNFNIPKPVEQO-GOSISDBHSA-N	418.566	5.915	30	20	HKED	
C=CCn1c(SC[C@@H](C)O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12	430093209	FWFLQWDEQWGISO-QGZVFWFLSA-N	416.550	5.128	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)s1	430636960	ADNFNALJBZTNOJ-AWEZNQCLSA-N	418.444	5.135	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1cccnc1	432771680	YJRLBSOLCVFILC-QHCPKHFHSA-N	412.493	5.669	30	20	HKED	
N#CCCn1cc(CNCC2(c3ccccc3)CCCCCC2)c(-c2ccncc2)n1	433331962	QSKIIRYDNLRCCY-UHFFFAOYSA-N	413.569	5.241	30	20	HKED	
C[C@@H](c1nnc(SCCCCC(C)(C)C#N)n1-c1ccc(Cl)cc1)N(C)C	436134723	VMUDRYIVBIBVBW-HNNXBMFYSA-N	405.999	5.355	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)NCc3cc(C#N)ccc3F)c(C)c2)c1	438001853	JSQSMOFIIPYDGV-UHFFFAOYSA-N	403.457	5.215	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	439488694	ABWMKBIOUMARHL-UHFFFAOYSA-N	421.394	5.078	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCCc2c([nH]c3c(F)cccc23)C1	439516074	AUGQQPFOESKOIL-UHFFFAOYSA-N	424.479	5.082	30	20	HKED	
C[C@H](Nc1cccc(Oc2ccccc2)c1)C(=O)N(CCC#N)c1ccc(F)cc1	439550384	MWHACVOTDXJSSO-SFHVURJKSA-N	403.457	5.365	30	20	HKED	
CCCc1c(NC(=O)c2scnc2C2CCCC2)cnn1-c1cccc(C#N)c1	440086798	HJDOPQGSUBIUMK-UHFFFAOYSA-N	405.527	5.063	30	20	HKED	
N#CCc1cccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	444429297	CMEZJAQXYZXELO-INIZCTEOSA-N	400.322	5.195	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc(Cl)sc2Cl)c1C#N	445561325	LXBKJKNPNYPZDP-UHFFFAOYSA-N	409.323	5.086	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1Cl)c1ccccc1	445793991	GVNOGGYQPFVTEE-ZDUSSCGKSA-N	411.839	5.915	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2nc(Cc3cccc(F)c3)no2)cc1F	447409955	YHWASPJMFSALCS-UHFFFAOYSA-N	418.403	5.215	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21	460566019	JMCCQEKCMKGHTC-SMIHKQSGSA-N	413.569	5.003	30	20	HKED	
N#CCCCOc1cccc(NCc2ncc(-c3ccccc3Br)o2)c1	462242564	GTLZYEHMEMJSPE-UHFFFAOYSA-N	412.287	5.399	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1	464933395	GVRSSKQCTQALLS-UYAOXDASSA-N	407.926	5.375	30	20	HKED	
CN(Cc1cc(Cl)cn1C)C(=O)c1ccccc1SCc1ccc(C#N)cc1	467662709	XURBUPDSLZOBMY-UHFFFAOYSA-N	409.942	5.115	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	468005603	PYXCVVWYYXTAQU-UBHAPETDSA-N	422.291	5.291	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	468676888	MUYYQVJUCHNDHX-CHWSQXEVSA-N	400.338	5.192	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCCCn1cc(Br)cn1	470130843	DSXWAYBENHZXFK-UHFFFAOYSA-N	419.367	5.099	30	20	HKED	
COc1ccc(Br)cc1CNc1ccccc1Oc1ncccc1C#N	474406487	BWSCZAUNCPXOCW-UHFFFAOYSA-N	410.271	5.129	30	20	HKED	
C=C(C)[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccc(F)c(F)c1	475694076	FMQIOYSGYRMLAW-NRFANRHFSA-N	410.420	5.166	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1	475747020	BLUDTQCDDJJHAJ-DNVCBOLYSA-N	423.969	6.037	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@]4(C3)OCc3ccccc34)cc2)cc1	478320668	QDZNBIJJHLDPQX-MHZLTWQESA-N	424.500	5.207	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccccc3C)n2)nnc1-c1ccc(C)cc1	481380586	XWNJVOXLCCLHJI-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482407956	BGWMEHIVBAIBTI-GZMMTYOYSA-N	410.280	5.339	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1cccc(Cl)c1	483220096	NNXGIDYQURQKQG-HXUWFJFHSA-N	414.896	5.687	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(C(F)(F)F)nn2)c1	484139475	PIQZEDVVGPJMPI-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cnc2ccccc2n1	484873518	UXPOSNRUXLLCAH-UHFFFAOYSA-N	414.852	5.224	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(CC#Cc3ccc(F)cc3)CC2)n1	485130494	JETYEKNNBLEIHN-UHFFFAOYSA-N	406.526	5.189	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CC(C)(C)C#N	485747584	MBAOXHKULFFUDJ-UHFFFAOYSA-N	403.404	5.145	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC12CCC(C(F)(F)F)(CC1)CC2	488336597	ZSRCMPBUKCFKAF-FTXHTYHOSA-N	411.493	5.858	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)cc1	488694919	ZBAGAROCWPWFFE-JBRSBNLGSA-N	410.542	5.166	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)o2)cc1	489769960	SCUHIERLFNFLQW-HNNXBMFYSA-N	420.494	5.513	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(Br)cc1C(F)(F)F	490551312	YJBVGUNIEMWAIR-UHFFFAOYSA-N	417.225	5.324	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	492374723	IDCXFMFNNHZFQU-SECBINFHSA-N	408.228	5.419	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1	494050736	RNQLAGBHFNZLJV-QFUCXCTJSA-N	409.555	5.198	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1	495428834	ZURNOPVBASNFAM-MRXNPFEDSA-N	403.596	5.067	30	20	HKED	
C=C(C)CN(C)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	497614057	UOBNBYCQBZVBIN-CYBMUJFWSA-N	408.365	5.160	30	20	HKED	
N#Cc1ccsc1C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F	497987593	XZMFQJSWNDDSIM-KRWDZBQOSA-N	415.287	5.041	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	505971445	PHAKRZMUKWRDHN-NRFANRHFSA-N	405.379	5.239	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CC2)c1	506113295	RCUCGAMZPLHQDU-UHFFFAOYSA-N	414.440	5.012	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	506707746	NQZFNRMTYPHXNA-KRWDZBQOSA-N	401.539	5.266	30	20	HKED	
CC1(C#N)CCN(C(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1	507839438	CVVUAJQGGWIJOV-UHFFFAOYSA-N	424.953	6.144	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCCCOC3CCCCC3)c2)cc1	509898659	LRTXRZPLYXRWFK-UHFFFAOYSA-N	421.541	5.193	30	20	HKED	
CN(CCc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510639522	FCWISVAOQXTVFG-QFIPXVFZSA-N	421.903	5.841	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)s1	511056960	RJWDJZBOILLROB-UHFFFAOYSA-N	407.470	5.134	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1	511809091	SEIIDJKPZWDUEZ-UHFFFAOYSA-N	413.521	5.253	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1Cl	514544314	PQFXYDJZBSIRCP-LJQANCHMSA-N	404.853	5.019	30	20	HKED	
COc1ccc(CSc2nnc(SCc3cc(C#N)ccc3F)s2)cc1	514760153	WGULXTITBPOWMK-UHFFFAOYSA-N	403.529	5.142	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc2c(c1)OCCO2	517532593	MYWWMXZVFKSSKK-NVXWUHKLSA-N	411.527	5.125	30	20	HKED	
Cc1ccc(CNC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518147492	PHTQEDONEBBXQM-OAHLLOKOSA-N	421.488	5.136	30	20	HKED	
CC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cn1	518668855	QCTPSVAGOOQKLX-UHFFFAOYSA-N	409.433	5.146	30	20	HKED	
Cc1ccc(N(C(=O)COc2ccccc2C#N)c2nc3ccccc3s2)c(C)c1	518825069	NLTXPRUQDIDDNY-UHFFFAOYSA-N	413.502	5.529	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(Br)cc3C#N)o2)cc1C	519653974	BPQYIEKHPOKLDQ-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2cccnc2)c1	519913213	MYBAEPZPJVEUMC-UHFFFAOYSA-N	414.509	5.222	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(c1ccccc1)c1ccccc1	520835360	KXTJHCWYZCMBMC-LJQANCHMSA-N	400.547	5.883	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1	521606442	NCKSPKXDFYWMGC-UHFFFAOYSA-N	415.424	5.090	30	20	HKED	
CC(C)(C)c1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1	523273828	CCLSOQHSTWEKMJ-UHFFFAOYSA-N	405.523	5.338	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(C#N)cc1	523877127	IKDLTIAOCYSTHG-HNNXBMFYSA-N	401.853	5.367	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)COc1ccccc1C#N	524391087	UUAVHMFKQZTKDQ-UHFFFAOYSA-N	406.869	5.117	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(COC2CCCC2)cc1	524799279	YQZMPDFIJOMPKY-UHFFFAOYSA-N	405.542	5.708	30	20	HKED	
N#CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cc1	535381344	GQRLDAXSABWUFD-UHFFFAOYSA-N	400.372	5.381	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1	535618059	SAUMFPVADHQEQC-LJQANCHMSA-N	412.917	5.425	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1csc([C@@H]2CCCO2)n1	535969078	RKMFVAJWLKRJGU-FQEVSTJZSA-N	423.925	5.367	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1[C@@H](C)C1CC1	537477093	ZOPPUVAEFIGWRD-GXTWGEPZSA-N	412.465	5.054	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(C3(C#N)CC3)cc2)n1	538558814	PBXGWVCDANAISU-UHFFFAOYSA-N	420.900	5.396	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)n2)c(Cl)c1	542960453	BSLDTZNAYLOZQW-GOSISDBHSA-N	409.877	5.140	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	546209393	BNAFTRAMKFJJNN-QGZVFWFLSA-N	405.420	5.184	30	20	HKED	
CC[C@H](CC#N)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	546570878	FSVZKQXFKVAPKN-MRXNPFEDSA-N	407.297	5.003	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1ccon1	546837887	MMLSIKKLEYZYPE-LBPRGKRZSA-N	416.359	5.240	30	20	HKED	
C=CCOc1ccc(/C=C\c2nc([C@@H](OC)c3cccc(Cl)c3)no2)cc1OC	547181203	PSFVNRUNMWDGPD-IZKUIKQZSA-N	412.873	5.203	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)nc2ccccc21	548634666	IEYWVJGUHICVNK-SFHVURJKSA-N	406.917	5.162	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CC1	548878435	CCCQDABCMJOYAU-UHFFFAOYSA-N	424.932	5.003	30	20	HKED	
N#Cc1cc(-c2nc(C3(c4cccc(C(F)(F)F)c4)CC3)no2)cnc1C(F)(F)F	551091941	IXUOGCHVHRFWEE-UHFFFAOYSA-N	424.304	5.121	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1	554045199	JPYWGSMLXQRXDC-UHFFFAOYSA-N	417.937	5.026	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c1	554717341	ZZFCGMCJVHZNGM-UHFFFAOYSA-N	407.260	5.661	30	20	HKED	
N#CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2Cc2ccccc2)CC1	558936887	PIXABMKBJWNZMQ-UHFFFAOYSA-N	417.582	5.064	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc3nc(O)oc23)cc1Cl	559271487	BYQIBUPLUMLZAB-QGZVFWFLSA-N	403.825	5.095	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1	560561398	ILSSZUSOQIEDHX-QFIPXVFZSA-N	422.529	5.492	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNc1ccc(C(F)(F)C(F)(F)F)cc1	600855372	AVGBUFAYEMYAJA-UHFFFAOYSA-N	414.252	5.880	30	20	HKED	
COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C#N)cc2C(F)(F)F)c1	602762612	WKASPNWJHBQGLD-NRFANRHFSA-N	423.394	5.357	30	20	HKED	
COCc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)sc2cccc(F)c12	604480853	WWBNFYHRSKHKJT-LLVKDONJSA-N	414.527	5.497	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1	608964011	YUDFKPFVWOVGPT-OAQYLSRUSA-N	418.493	5.062	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1	608995436	PSULANRFOVKMFW-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccccc1F	609079081	ZPXYITWSNFTELT-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)cc2)c1	609429650	WBJOTHUOZDBWRW-UHFFFAOYSA-N	405.816	5.877	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1	609436735	DHXPJQBYZVTILL-ROUUACIJSA-N	421.566	6.832	30	20	HKED	
COc1ccccc1CC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	609437056	NDKXHJYLNYGVNA-SFHVURJKSA-N	423.582	5.576	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CCC2	609644367	OTAVIEANHQKDGR-QFIPXVFZSA-N	417.534	5.052	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCS[C@@H](c4ccccc4)C3)c2)cc1	609811064	KCBTZPXEZWTCEO-HSZRJFAPSA-N	415.518	5.673	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3cc(Cl)cs3)c2)c1	609906769	PAOGHWZPBPKLNE-UHFFFAOYSA-N	409.898	5.097	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1ccc(C#N)cc1F	610174243	LYVAJAMIOHAHJK-UHFFFAOYSA-N	415.251	6.073	30	20	HKED	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	610321663	RJEKJIJBKRYSOX-AHWVRZQESA-N	411.505	5.183	30	20	HKED	
CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)N[C@@H](CCC#N)c1ccccc1	610972493	AMFQFDSRZXWJSC-QFIPXVFZSA-N	420.488	5.100	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)s1	619666279	IWPMWGXKHORHFW-UHFFFAOYSA-N	423.441	5.132	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)cn2)cc1	619726043	XFGNJEQCBYOHNZ-DHIUTWEWSA-N	422.488	5.598	30	20	HKED	
C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674459530	LJOADWXMFSVDPV-BBBLOLIVSA-N	401.301	5.165	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1SCc1ccco1	674512171	KRAODOZWNCXTBQ-UHFFFAOYSA-N	415.436	5.372	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12	684562893	DERLATWSRLBWHR-GHMZBOCLSA-N	407.329	5.618	30	20	HKED	
Cc1cc(C=Nn2cnnc2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	725855925	AIAMGHFZWYVTLS-UHFFFAOYSA-N	409.415	5.254	30	20	HKED	
O=C(Oc1c(F)c(F)cc(F)c1F)c1csc(-c2cccc(C(F)(F)F)c2)n1	726319735	HQUAQCGQJTZRQG-UHFFFAOYSA-N	421.293	5.605	30	20	HKED	
N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1	726802280	ZOJOFRMBOVFJMT-QGOAFFKASA-N	414.939	5.428	30	20	HKED	
Fc1ccc(Br)cc1CON=Cc1cccc(OCc2ccncc2)c1	727434627	NIDXBPQPDSYGCD-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(C(C)C)cc1	727978635	KSBHTARDWAKUQO-UHFFFAOYSA-N	415.562	6.378	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(SC(F)F)c3)o2)cc1	727995085	MIYYJYXHEXBVMY-UHFFFAOYSA-N	400.406	5.297	30	20	HKED	
CC(=NNc1cnnc(O)c1Cl)c1ccc(-c2ccc(Br)cc2)s1	730568095	CYFRJJBJJFZJED-UHFFFAOYSA-N	423.723	5.163	30	20	HKED	
N#CCOc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)cc1	732460661	CLDAJGZDSARSKV-SANMLTNESA-N	421.500	5.331	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1	733147017	RRYMZTZTJCAYMI-UHFFFAOYSA-N	417.462	5.279	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1	733806131	HPFHSPSODXIVAY-GGAORHGYSA-N	409.505	5.237	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1	733850516	PSXWQHWEEQXISH-GBXCKJPGSA-N	416.525	5.286	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)c1ccccc1SCC#N	734738415	GVPDIGNQRFPBDR-CQSZACIVSA-N	412.511	5.791	30	20	HKED	
Cc1c(F)cccc1-c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)o1	735232445	NTZVGIMNJQLDNP-XFFZJAGNSA-N	420.408	5.287	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1	741889964	JBTDUUYCRFJCDV-UHFFFAOYSA-N	414.889	5.123	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	743096335	QFPSIVXIGBBMPY-ZYKLXPEUSA-N	413.496	6.096	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)cc1	744028202	IEMPMNMOOWPECR-FIIODCPWSA-N	400.400	5.019	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)o2)cc1	744033213	RNSXWLQVKYDJGJ-MRXNPFEDSA-N	410.832	5.263	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)c2cc(F)c(Cl)cc2Cl)c2ccccc21	746169915	GBRHLLKUWWGBJW-UHFFFAOYSA-N	419.239	5.041	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C)cc3C)nc2C)c1	746416597	OLUYXMAUMXXSGW-IBGZPJMESA-N	403.507	5.005	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCCC2)cc1	746829475	LDZVPOVGVAHTOG-RUZDIDTESA-N	410.517	5.801	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C/C(=O)c3cc([N+](=O)[O-])ccc3F)c2)c1	752873519	GLORPWQLVVMLKF-JXMROGBWSA-N	402.381	5.081	30	20	HKED	
C=CCN(C(=O)c1ccc(C)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	753045658	LTSLEVWCDBZHLB-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
CCn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1-c1ccccc1	756653919	VVRIXVXBHTWQAJ-QHCPKHFHSA-N	406.489	5.478	30	20	HKED	
Cc1nc2sccn2c1C=NO[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	757621208	AFKYCTKWUAVHFT-JTQLQIEISA-N	422.297	5.173	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1cc2ccccc2s1	758241802	ITQHKWTZIGWWDO-RHSMWYFYSA-N	411.552	5.008	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3c(C(F)(F)F)ccnc3Cl)c2)s1	759877385	SPMIMXPYJLSZDS-UHFFFAOYSA-N	421.831	5.284	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CC(=O)c3ccc(Cl)cc3)n2)cc1	760181718	AASPQPFBRSUTCJ-DNVCBOLYSA-N	422.937	5.857	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cccc(OCc2cccc(Cl)c2)c1	760797038	CDSHLYZLDQQSKT-UHFFFAOYSA-N	410.832	5.213	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)c1	762635140	LUWSQMMSESABOA-ISKFKSNPSA-N	424.504	5.297	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1	767858143	DVBDEUFCSNMDGV-UHFFFAOYSA-N	418.497	5.226	30	20	HKED	
CC(=O)N1C/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)c2ccccc2C1	778519110	FQNXHYJUVJYGJH-XKZIYDEJSA-N	415.464	5.033	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1	779141897	ULASGYVNDXBESW-DENIHFKCSA-N	424.495	5.259	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	780153293	WVIFNSBVAKHMTH-NYHFZMIOSA-N	424.472	5.728	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782612006	GWTLZDIDQOTGFA-ZWKOTPCHSA-N	410.477	5.399	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCSc3ccc(OC)cc32)ccc1OC	783251840	MHZCLSFGBYMBFT-PXNSSMCTSA-N	412.555	5.102	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC1CCC(C(F)(F)F)CC1	783351073	SEJQTMRGTJDCGI-IUPXNIOVSA-N	408.464	5.218	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)n1C(C)C	787048786	IDSQOSABSAPISY-UGSOOPFHSA-N	420.340	5.193	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2csc(-c3ccc(F)cc3)n2)c2ncc[nH]2)c1	787167367	CZKNNKGCFGFJCF-XDHOZWIPSA-N	405.454	5.104	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2ccc(-c3ccccc3)s2)c(-c2ccncc2)n1	788347950	DHNBUANEQIGVHL-BQYQJAHWSA-N	410.502	5.483	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1=S	794654545	CVMYGDPKKURJCE-SWLSCSKDSA-N	416.900	5.151	30	20	HKED	
N#CC[C@H](CC(=O)OCCCC(=O)c1ccc(Br)cc1)c1ccccc1	795986955	TYHGNUSOZRHHLV-GOSISDBHSA-N	414.299	5.043	30	20	HKED	
CN(Cc1ccccc1OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)OC(C)(C)C	796903881	JSYHTNMNXYZCSB-LJQANCHMSA-N	408.498	5.046	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)cc1	800578162	DDMCGGWBMPOFQP-NRFANRHFSA-N	418.949	5.401	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	809755323	ITYFCJRJYPHXPD-QUENFVSXSA-N	403.353	5.411	30	20	HKED	
N#Cc1csc(CN[C@H](c2ccc3c(c2)CCO3)c2cc(Cl)ccc2Cl)n1	810146438	QYKRIIWATIKQBA-HXUWFJFHSA-N	416.333	5.136	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1	810174601	VXVMUGJDXIOOGB-FQEVSTJZSA-N	422.529	5.034	30	20	HKED	
N#Cc1ccc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1	811463224	OAKJNUSEJFJYJK-FQEVSTJZSA-N	408.851	5.176	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCC(O)CC2)cc1)=C/c1ccccc1OC(F)F	811689645	ILUBEFHJBTTXJL-QFXDDTPSSA-N	413.464	5.092	30	20	HKED	
N#CCCC[C@@H](NCc1sc(Sc2ccccc2)nc1Cl)c1ccccc1	814304556	NUWUPDNHERHWPX-GOSISDBHSA-N	413.999	6.472	30	20	HKED	
CC(C)(CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CC(F)(F)F	883977889	ZHJSZATUIQPZPQ-RKDXNWHRSA-N	401.313	5.381	30	20	HKED	
CCOc1ccc(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915086179	IBIUSVILDAFVKN-HSZRJFAPSA-N	402.519	5.472	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1Cl	916057284	MPRCTPZMSXFHSB-NRFANRHFSA-N	402.881	5.112	30	20	HKED	
COc1ccccc1/C=C(\C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1	916089385	DTAKHFOEWUUULN-JXAWBTAJSA-N	421.547	5.255	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1	916152030	KJLDXWGNANLYGP-RAXLEYEMSA-N	411.486	5.399	30	20	HKED	
COc1cc(C=NNc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1Cl	916255244	LZTYLKNFLRSTOI-UHFFFAOYSA-N	423.900	5.121	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(C2CC2)c1=S	917457957	OSLKJMDFIWUUHR-UHFFFAOYSA-N	409.584	5.219	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nnc2n1CCCCC2	917505280	NMMQMWYBQOEZQO-KAMXEHQASA-N	422.941	5.276	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1	1786913426	YTPNMLRHMRBQPQ-TWLJRWAQSA-N	404.510	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2)CC1	1829067081	BRIFIJWEXQNLSS-XMMPIXPASA-N	424.629	5.231	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)CCCCC)CC1	1831464741	FBOCIIPOQNINMP-AZUAARDMSA-N	412.565	5.034	30	20	HKED	
N#CCc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1	20056354	IHHNJBJSVLLVAF-UHFFFAOYSA-N	416.531	5.155	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccco1	29548642	ZWKDOUGMIICPMZ-HOTGVXAUSA-N	410.543	5.357	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccccc2CSc2nc3ccccc3o2)n1	48787072	YXNYWASZSQUZGS-INIZCTEOSA-N	405.504	5.375	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	65680241	URVLNZVGBXTVIV-UHFFFAOYSA-N	416.525	5.391	30	20	HKED	
C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc(C#N)cc1	303728844	UPALWTSOQODIBH-INIZCTEOSA-N	402.548	5.780	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1	410426231	GPRSGAJKHPLQFD-UHFFFAOYSA-N	411.343	5.270	30	20	HKED	
C[C@H](Cc1ccccc1Br)NC(=O)N[C@H](CCCC#N)c1ccccc1	431299144	WDGNBKIUWQNMMN-OXQOHEQNSA-N	414.347	5.114	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N(C)CC(C)(C)C#N	432945763	AJOPIZVWUVZNAG-UHFFFAOYSA-N	421.520	5.745	30	20	HKED	
N#Cc1ccnc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)c1	436001160	FRFXTRKVHDLBRN-UHFFFAOYSA-N	403.438	5.383	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@@H](C#N)c1ccccc1Cl	439082246	BQNDWJCFKBWHAU-INIZCTEOSA-N	420.683	5.605	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(C)c(Oc2cc(C)ccn2)c1	439613895	WSCVDWRXGUEGGO-LJQANCHMSA-N	421.566	5.567	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H]1CCCc2nc(O)ccc21)c1ccc(C(F)(F)F)cc1	441517274	ZCNOLZDEWJUNJT-MJGOQNOKSA-N	419.447	5.190	30	20	HKED	
CC(C)(CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)CC(=O)c1ccccc1	441621572	OVXZSWSLFIGCFL-UHFFFAOYSA-N	418.537	5.054	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2SCCc3ccccc32)sc2c1-c1ccccc1CC2	443874732	HQWKTNIDNAGMHA-OAQYLSRUSA-N	402.544	5.354	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1C(F)(F)F	443883569	VJBDNGJJTVDZHB-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)Nc1ccccc1SC[C@H](C)C#N	444903742	YHSUMDMETLNZJO-RDTXWAMCSA-N	421.488	6.062	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cnn1C1CCCC1	445239522	MZYLKDVQKJNUHZ-UHFFFAOYSA-N	401.470	5.615	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	460543734	CNKUCRZXSPZNIP-QAPCUYQASA-N	407.345	5.006	30	20	HKED	
Cc1cc(C)c(Br)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	461028417	OBJBVLOPUFJAIK-AWEZNQCLSA-N	403.345	5.713	30	20	HKED	
O=C(Nc1cccc2oc(C(F)(F)F)nc12)c1c(F)cc(C(F)(F)F)cc1F	464132913	SFKSGMVILBJAQM-UHFFFAOYSA-N	410.220	5.396	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccccc1C	464425237	ZMRGMZZXLKVXPK-INIZCTEOSA-N	412.415	5.037	30	20	HKED	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCSCC#N)nnc1-c1ccco1	466623880	YCCBBSYTHLKWCB-QZWWFDLISA-N	402.589	5.274	30	20	HKED	
N#CCSCCCSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1	466624128	BGLPKTXVOWBAOK-UHFFFAOYSA-N	413.593	5.064	30	20	HKED	
N#Cc1cc(NC(=O)C2CCC(=O)CC2)ccc1Oc1ccc(C(F)(F)F)cc1	469179822	MWAMCBYZKJTBOX-UHFFFAOYSA-N	402.372	5.067	30	20	HKED	
Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)sc2ccc(F)cc12	470771482	FRABHHBMZLEZHZ-UHFFFAOYSA-N	421.497	5.184	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1	474446800	POIDDLHWWPCTEE-GOSISDBHSA-N	413.506	5.004	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2OCC(F)F)c1	474987924	DSZXKSOKZNMBBD-UHFFFAOYSA-N	408.404	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	475577190	CBIAUILBDALVJY-HXUWFJFHSA-N	420.532	5.340	30	20	HKED	
C=CCCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)CC1	475769755	HCRFFHITPTXUAJ-UHFFFAOYSA-N	407.489	5.101	30	20	HKED	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C[C@@H](CC#N)c1ccccc1	476096343	MAQRIACAPRFYRT-GOSISDBHSA-N	422.916	5.216	30	20	HKED	
CC(C)Nc1ccc(Br)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	476188353	DQMWYZDFEHLVAS-UHFFFAOYSA-N	400.320	5.323	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)nc2ccccc21	477842707	QLDWLSKNYYZXJN-HNNXBMFYSA-N	407.882	5.461	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cnn(C(C)C)c4nc3C)n2)cc1	480937763	GLQRREJKCTYBAN-LJQANCHMSA-N	415.522	5.243	30	20	HKED	
C=C(C)[C@@H](N[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)c(F)c1	481596320	JJFUNAVVCYLRSJ-KZULUSFZSA-N	423.385	6.002	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1cnc2ccccc2n1	483213458	MAGLNBQGDCWIIL-OAHLLOKOSA-N	404.882	5.205	30	20	HKED	
CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	483487624	WRHVFCMZABEENV-FCHUYYIVSA-N	409.555	5.127	30	20	HKED	
CC(C)c1ccc(-c2nnc(S[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)o2)cc1	484571084	MNUAKYKLNAUPSG-HXUWFJFHSA-N	418.522	5.019	30	20	HKED	
C[C@H](Nc1cc(OC(F)F)n(C)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	488142099	QGSXDNCRRFHVNQ-ZETCQYMHSA-N	403.273	5.232	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCc1cccc(C(=O)Nc2ccccc2)c1	488762847	HVSUYIXBQKJMJK-UHFFFAOYSA-N	413.424	5.517	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1	491034934	IKBBDWCXXFFMHT-IBGZPJMESA-N	420.509	5.413	30	20	HKED	
Cc1c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)oc2c1ccc1ccccc12	497894142	YQNHHGACICQTLP-UHFFFAOYSA-N	412.445	5.226	30	20	HKED	
Cc1c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1CC(C)C	499592012	OUIOFHSRKSLTGJ-HXUWFJFHSA-N	421.932	5.800	30	20	HKED	
Cc1cccc2oc(CCNC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc12	500365403	SMTBCXJBROLLBI-GOSISDBHSA-N	424.504	5.278	30	20	HKED	
COC(=O)c1ccc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F	505901889	XIQMOUGNQIRHAI-OAHLLOKOSA-N	409.301	5.024	30	20	HKED	
Fc1cccc(-c2cnc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)c1	505906424	OHAHQTYFAOLXKX-KRWDZBQOSA-N	418.312	5.893	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	505966484	RISXLOGNSLYVMD-QGZVFWFLSA-N	401.413	5.132	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Cl)c1	507549005	FNEOPXSWGOVPQI-AWEZNQCLSA-N	416.930	5.202	30	20	HKED	
N#CC1(F)CCN([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1	510921890	PQLAXJGRFAMGQV-SFHVURJKSA-N	406.288	5.001	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1	511667491	PBDDKDMKXMVKLZ-OLUVUFQESA-N	423.319	5.278	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	512150423	VKZICFGGTUVUAW-ZDUSSCGKSA-N	422.312	5.268	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1F)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	512851766	KWIFLVILCAITGX-ZDUSSCGKSA-N	414.252	5.130	30	20	HKED	
CCc1ccc2occ(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2c1	513754643	MGSQDYRLOXBDFV-OAHLLOKOSA-N	417.490	5.074	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4c(Cl)cccc4c3C)n2)cc1	516713683	GZWNSSLPMNWRRE-MRXNPFEDSA-N	422.893	6.017	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	521536814	BWKXJFTVWBAVAO-INIZCTEOSA-N	403.507	5.512	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc3ccccc3n2)cc1	521564814	IPRVKWAXIUKREK-UHFFFAOYSA-N	423.541	5.371	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1	522667579	SBHMSPCGVMIKSP-UHFFFAOYSA-N	420.459	5.101	30	20	HKED	
COc1cc(C)c([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC	523588018	MWVCUNVBVVAIJC-CVEARBPZSA-N	413.543	5.289	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1	523781778	RKTNVGZZAPABTL-IBGZPJMESA-N	415.493	6.153	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(Sc2ccccc2Cl)nn1	525618003	DCBGHUAPKWBYBF-UHFFFAOYSA-N	401.944	5.171	30	20	HKED	
CC1CC(C#N)(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)C1	531810342	HPSGFPFQSNDQQD-UHFFFAOYSA-N	413.355	5.016	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	532570367	FTTIEQQYXIIZCQ-YZGWKJHDSA-N	407.583	5.063	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CN(C)Cc1ccccc1	533599964	YLTBNISDRXODKI-SFHVURJKSA-N	410.587	5.113	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN(CC#N)C2CCCC2)cs1	534473508	OOYQHYIKIPVPSQ-UHFFFAOYSA-N	422.476	5.115	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1Cl	536173203	HXRCBSZQWMQKRV-LLVKDONJSA-N	404.825	5.240	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)n1	536765856	BZIWEZCUQPBFDH-CYBMUJFWSA-N	408.426	5.569	30	20	HKED	
COc1ccc(OCc2nc(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)cc1	537625595	OCYWBUFJBHJRRO-GOTSBHOMSA-N	419.550	5.002	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)CCC3)cc1	538507981	PNTICPYIUMWBOL-VLIAUNLRSA-N	407.514	5.558	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C	539777627	UDECJLGIZRMOSH-FOIQADDNSA-N	406.917	5.724	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2	539789488	RSIHFASLDHDMMT-UHFFFAOYSA-N	415.490	5.461	30	20	HKED	
C=CCN(c1ccccc1)C(=O)[C@H]1CC[C@H](C(=O)N(CC=C)c2ccccc2)CC1	540879495	NYKDYRUBJDZCHT-HZCBDIJESA-N	402.538	5.231	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21	542024387	OQBSGUYQWWKOOO-JKFKMHIGSA-N	403.526	5.488	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	543008654	ASXKRPKCAQTMEI-YADARESESA-N	417.553	5.467	30	20	HKED	
Cc1cc(Sc2ncccn2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	543304088	WERQOIAEAXHVKP-UHFFFAOYSA-N	415.522	5.004	30	20	HKED	
CC(C)Oc1ccc2ccccc2c1CNCc1cn(C)nc1-c1ccc(C#N)cc1	545212844	LUKICUFUKCRDPT-UHFFFAOYSA-N	410.521	5.189	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2ccc(C)cc2)C1	548838376	WUERGSIGSYPTFB-FQEVSTJZSA-N	420.582	5.067	30	20	HKED	
C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(OC(C)(C)C)CC1	555221350	SJAHKADKPNGMOB-UHFFFAOYSA-N	422.495	5.324	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccccc1	557588473	NBMYUALQCKYWHP-NQIIRXRSSA-N	421.566	5.021	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1	558760334	YUVQMXRVTAKNSR-VFNWGFHPSA-N	417.937	5.837	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1Sc1ccccc1C#N	561212169	IQMWSMACMFSYHJ-UHFFFAOYSA-N	418.518	5.013	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564438391	HALUOSNJIUOXAE-HXUWFJFHSA-N	404.495	5.348	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ncc(Br)cn1	569757514	QXQAHKBLCNQERF-CABCVRRESA-N	407.315	5.190	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2NCCC2=CCCCC2)CC1	573460079	HDKSTKVFYYYDIS-UHFFFAOYSA-N	414.553	5.082	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	576709286	RIRDCVFDUCTVDL-UHFFFAOYSA-N	408.502	5.187	30	20	HKED	
CC(C)(C#N)CCS(=O)(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl	576790638	RJORIFYJZRCGJZ-UHFFFAOYSA-N	411.354	5.020	30	20	HKED	
CC1(C2CC2)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	581481583	RPSJNBRYNVXKHJ-UHFFFAOYSA-N	403.526	5.376	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	582448500	IYZCYVQBGQIFQK-HNAYVOBHSA-N	413.447	5.132	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CCCCCC#N	588837302	BHWBZRGRNCHYHQ-YLJYHZDGSA-N	419.956	6.330	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)NC(c1cccs1)c1cccs1	606576691	QMUMGNDEOAWYKN-UHFFFAOYSA-N	415.543	5.516	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1	609377935	LNCWLYDDQQMUGJ-INIZCTEOSA-N	406.482	6.122	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)sc2c1	609460658	OZPOHQYAGNHEGD-CQSZACIVSA-N	408.832	5.877	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3C[C@@H]3C[C@H]4CC[C@H]3C4)cc2)nc1	609517506	RKUOVOHCXRPRFD-AGOPTVSRSA-N	401.510	5.176	30	20	HKED	
COc1cc(CS[C@@H](C)C(=O)OC(C)(C)C)ccc1OCc1cccc(C#N)c1	610009414	YGEBXGPJFLEISZ-INIZCTEOSA-N	413.539	5.109	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](C)c1cccc(O)c1	610321301	PEVYNHNHARHIRW-INIZCTEOSA-N	402.454	5.066	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2ccccn2)CC1	611094481	LDPDHONDSOIORN-UHFFFAOYSA-N	412.493	5.466	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H]4CCc5cc(C#N)ccc54)cc3)o2)c1	618739788	RZDGOBDQEJYXFY-QHCPKHFHSA-N	420.472	5.001	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)N[C@H]1CCc2cc(C#N)ccc21	618841033	OQDJPJWNKWNFDY-IERDGZPVSA-N	416.550	5.380	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@](C)(C#N)C1	619537559	AHHYGAIGRGGADJ-HXUWFJFHSA-N	406.313	5.367	30	20	HKED	
CCc1cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F	672773218	QUOMFBFZUQSQAL-QWRGUYRKSA-N	400.338	5.419	30	20	HKED	
O=S(=O)(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(C(F)F)cc1	673472933	VUILKAJZAATHNT-UHFFFAOYSA-N	401.303	5.079	30	20	HKED	
Fc1cc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1Br	674005227	AZGMNHOEWSMVKL-NXEZZACHSA-N	408.155	5.151	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	679982023	CQHJIYSMZLSVST-CAODYFQJSA-N	413.324	5.335	30	20	HKED	
CC1(C)Cc2cc(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)sc2-c2ccccc21	726858286	HFWMGNJUWRJSTI-SFHVURJKSA-N	406.551	5.020	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C/C(=O)c1sc(-c2ccc(F)cc2)nc1C	727267776	QGYVDDCJTXEFTP-JXMROGBWSA-N	413.470	5.180	30	20	HKED	
COc1cc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)ccc1SC(F)F	727975966	YTFAYTSFSADVMQ-NTMALXAHSA-N	403.475	6.030	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1OC	729428285	BRCGWUDVVDUNDM-INIZCTEOSA-N	412.898	5.080	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	733755479	SEYLPAKPMISKHZ-OAHLLOKOSA-N	407.564	5.156	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccc(OC(F)F)cc2)o1	735230664	ODYGQLJHWQPXNS-UHFFFAOYSA-N	423.828	5.186	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C\c3ccnc4ccccc34)cc2F)c1	735439669	PIDULEIMZBLFKP-FLIBITNWSA-N	423.447	5.476	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@H]2c2ccc(C)cc2)c1=S	742155807	SKMQXUVBTWSCHG-NRFANRHFSA-N	405.571	5.155	30	20	HKED	
CC(=NN=Cc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1)c1cnccn1	745208092	DEFSXDJQTKBWRO-UHFFFAOYSA-N	417.469	5.452	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	747109718	CXUAFJJCALDVKO-HXUWFJFHSA-N	410.502	5.281	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCOc1cccc2ccccc12	749360982	MWHOPTXLPSRXLB-UHFFFAOYSA-N	409.489	5.134	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1	750180720	OYHSCRMHWUWNDQ-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
N#CCOc1ccccc1C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	750204760	LKIPPJYVJWCIFR-HNNXBMFYSA-N	403.278	5.068	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(F)c(F)c2F)cc1	752485702	PWVYONLFJKEQEX-LJQANCHMSA-N	409.411	5.124	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	758227874	VYAUHVKDBQGFKR-UHFFFAOYSA-N	418.566	5.915	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1cc2ccccc2s1	758241803	ITQHKWTZIGWWDO-WMLDXEAASA-N	411.552	5.008	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1OC	762415485	GXTYOHMEOGCJGG-CMQXMCPJSA-N	418.493	5.168	30	20	HKED	
N#Cc1cc(N[C@H]2CCCSc3ccc(Cl)cc32)ccc1N1CCC(O)CC1	777116426	FWSWJKGTVVDBIP-FQEVSTJZSA-N	413.974	5.212	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2csc(-c3ccc(C)cc3)n2)c2ncc[nH]2)c1	787170299	VCNDZWQGQCPIHV-MOSHPQCFSA-N	401.491	5.274	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C1\CCc2cc(C#N)cnc2C1=O	788356239	LPNWYHPWPLINJA-CXUHLZMHSA-N	423.303	5.026	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1cnc2ccccc2n1	792101581	SIZUBTJUIQYWKL-KRWDZBQOSA-N	409.411	5.337	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cc1	792925800	NAGMNKRFOCMTLL-ACCUITESSA-N	402.475	5.154	30	20	HKED	
C[C@H](Cc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797570755	JWNMUKWRNGJQIR-IUODEOHRSA-N	405.361	5.258	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Cl)nc1Cl	799889574	WRGHYHFDMCCOPR-UHFFFAOYSA-N	421.353	5.346	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c(F)cccc2Cl)cs1	809159062	HDYUSLAGLOAYDD-YFHOEESVSA-N	418.852	5.655	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nc2cc(Cl)ccc2s1	810536622	QZYGEWNXAWQESD-GXTWGEPZSA-N	416.333	5.306	30	20	HKED	
C[C@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)c1ccc(OC(F)F)cc1	811418071	DQVZKNOVLMIKJU-QMMMGPOBSA-N	424.268	5.013	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cc(C(F)(F)F)ccn1	813215897	CPVSVIFMRZULCV-OAHLLOKOSA-N	421.831	5.296	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)CCc2cc(C(F)(F)F)ccc2Br)n1	815897741	GDUDYCNTZDYRER-LBPRGKRZSA-N	417.250	5.042	30	20	HKED	
Cc1c(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)sc2ccc(C#N)cc12	856569717	KDKDSYAQGBHBNS-KRWDZBQOSA-N	420.538	5.028	30	20	HKED	
CN(C)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	915926839	DRIPSMSOKPGWLW-QFIPXVFZSA-N	418.928	5.383	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1	916136543	PENRAAWFIGHKMC-KPKJPENVSA-N	406.825	5.397	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1	916947829	BKPVGGULXWIYIT-ORAYPTAESA-N	419.447	5.142	30	20	HKED	
O=C(c1ccc(SC(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	918672540	TUPUOUPVHHGHJY-UWVGGRQHSA-N	407.326	5.204	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3C(C)(C)C)n2)cc1	920138273	CDKKNKSRYWVAQU-SFHVURJKSA-N	420.534	5.371	30	20	HKED	
CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1C#N	921182569	DIIRYPPNLXRJIR-INIZCTEOSA-N	416.502	5.131	30	20	HKED	
C=C[n+]1ccn(CCCCCC[n+]2ccn([C@@H](C)CCCCCCCCCC)c2)c1	1848350042	FHNNRJMYWCJRBK-SANMLTNESA-N	414.682	6.318	30	20	HKED	
CCOc1cc(/C=C/C(=O)C2CCCCC2)ccc1OCC(=O)Nc1ccccc1	7905613	LURUXXKFTKPMDW-FYWRMAATSA-N	407.510	5.265	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(C)c2)c1	10174533	RKAXLRHEJSXNAX-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
C=CCn1c(SCc2c(C)cc(C)c(C(C)=O)c2C)nnc1-c1ccccc1OC	36627971	NAPRLJPCMQAGLH-UHFFFAOYSA-N	421.566	5.560	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)on2)ccc1OCC(F)(F)F	60462055	QMNHEUPVCKEKNJ-UHFFFAOYSA-N	421.762	5.060	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(SC2CCCCC2)cc1C	72051208	ATQMBFILTKVZFT-UHFFFAOYSA-N	410.539	5.318	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CSCc1ccc(C#N)cc1)C1CC1	107792792	OUQCQXOBCCRSNR-OAHLLOKOSA-N	418.484	5.562	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CSc2ccc(Cl)cc2)cc1	108376623	YLZBJMGWSHCXBU-UHFFFAOYSA-N	422.937	5.716	30	20	HKED	
N#CCCn1cc(CNCc2ccc(Oc3ccccc3)cc2)c(-c2ccccc2)n1	237832268	PVFNEJQWWCZBNO-UHFFFAOYSA-N	408.505	5.546	30	20	HKED	
C=CCn1c(Sc2nc3cc(C(F)(F)F)ccc3s2)nnc1-c1cccnc1	301363765	PGNHHCKOADZHDY-UHFFFAOYSA-N	419.457	5.306	30	20	HKED	
C=CCn1c(SCCCOc2cccc3ccccc23)nnc1-c1cccnc1	302974383	ORTVCKZQQYFQIY-UHFFFAOYSA-N	402.523	5.241	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(C#N)cc4Cl)CC3)c2c1	426141429	DMMYJSAPFGNSBI-UHFFFAOYSA-N	408.889	5.113	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1	426167491	KZHNUROBUBSYGI-SFHVURJKSA-N	402.404	5.292	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCSc4ccc(Cl)cc43)cc2)nc1	430465664	ZCXWKXAFSJMDJB-UHFFFAOYSA-N	421.909	5.542	30	20	HKED	
CC(F)(F)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	431352823	QMGXJSUWNMEVDK-UHFFFAOYSA-N	406.432	5.696	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1	431872062	YKLCHLBTJSDAFD-JXFKEZNVSA-N	419.447	5.423	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)s1	433489200	QUZOXRBTEAVVND-UHFFFAOYSA-N	418.522	5.527	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	437495379	JHYFYCHDWUVJAC-HTAPYJJXSA-N	424.591	5.179	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO	437757141	IHEQTZMRWKRUTQ-PKOBYXMFSA-N	411.571	5.005	30	20	HKED	
C[C@@H](Nc1cccc(Oc2ccccc2)c1)C(=O)N(CCC#N)c1ccc(F)cc1	439550382	MWHACVOTDXJSSO-GOSISDBHSA-N	403.457	5.365	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1	443582579	WQTSYPWBOIUXDO-QGZVFWFLSA-N	403.482	5.130	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc2[nH]ccc2cc1C	444987377	OLELDRORLJJJEY-UHFFFAOYSA-N	416.294	5.598	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1	446032197	WEWZJZUKNSIZCR-UHFFFAOYSA-N	420.557	5.712	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3ccc(C#N)cc3)C2)n1	446132424	VUYZENBEYKYFDZ-KRWDZBQOSA-N	418.522	5.102	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cc(C(F)(F)F)ccn1	464415018	RALMIDGBUXYWGA-CQSZACIVSA-N	422.815	5.988	30	20	HKED	
CC(C)CN1CC[C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	465154594	JQPGYWOFDFAJOL-AVRDEDQJSA-N	424.976	5.095	30	20	HKED	
CSc1cccc([C@H](NC(=O)NCc2ccc(C#N)cc2)c2cc(F)ccc2F)c1	465520552	GKZFRGFYMWYQPU-QFIPXVFZSA-N	423.488	5.147	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3c(F)cccc3Sc3ccccc3)CCO2)c1	468004081	KYZAAPCEVCTSJC-OAQYLSRUSA-N	418.493	5.062	30	20	HKED	
C[C@@H](CC(=O)N(CCC(F)(F)F)CC(F)(F)F)c1cccc(C(F)(F)F)c1	468530119	PICUTGMEDOHNGC-JTQLQIEISA-N	409.292	5.542	30	20	HKED	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	473633937	ZTSLYRZJPJUEOI-WOJBJXKFSA-N	413.521	5.645	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	474959628	IEWVCIYSLGDXEF-UHFFFAOYSA-N	414.490	5.075	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(OC)cc1)[C@H](CO)C(C)C	475547605	JXAHWXMDCXIASZ-XMMPIXPASA-N	424.585	5.598	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1	475555675	RIQPDQPXTUGMAL-LJQANCHMSA-N	402.542	5.666	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1	475581100	NJUSEIUAEAKLIK-FQEVSTJZSA-N	408.517	5.804	30	20	HKED	
COc1ccc(CN(C(=O)C[C@@H](CC#N)c2ccccc2)C2CCCCC2)cc1OC	475773503	XXPBMXPYFSKYQL-JOCHJYFZSA-N	420.553	5.453	30	20	HKED	
N#Cc1cc(Cl)ccc1CSc1nnc(-c2cccc(Br)c2)o1	479198987	YMTKSIWEDKJMOT-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	482000358	KDWNJLYGYRZJPY-KDOFPFPSSA-N	404.457	5.512	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1NC(=O)Nc1ccccc1	483237003	AGEIMXGPIPICPK-QFIPXVFZSA-N	420.472	5.677	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1	484176601	OAHKDTNJXLRIAR-UHFFFAOYSA-N	410.502	5.107	30	20	HKED	
CN(C(=O)c1cccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c1)c1ccccc1	487577263	SYDYTSVQYDYWKN-XMMPIXPASA-N	411.505	5.128	30	20	HKED	
C=CCC[C@@H](C(=O)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1)c1ccccc1	488631711	PSXVQWWVFJUIJG-WMZHIEFXSA-N	407.558	5.488	30	20	HKED	
CCN(CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)[C@@H](C)c1ccc(C#N)cc1	497617955	JZWJQQGMIDRBNE-BXKMTCNYSA-N	421.541	5.048	30	20	HKED	
N#Cc1cc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)cnc1C(F)(F)F	499054186	IRNULJBKMYRDCT-WAVCKPEOSA-N	405.445	5.132	30	20	HKED	
N#Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)cc1	501766315	NPSZHLMEILHEJP-UHFFFAOYSA-N	415.493	5.473	30	20	HKED	
COCc1cccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	502313063	BCBVDIVQDHLKIY-UHFFFAOYSA-N	401.466	5.122	30	20	HKED	
CCc1noc([C@H](C)Sc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)n1	504501917	CDPUIZHWPAQZGG-JTQLQIEISA-N	408.405	5.339	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)NCCC2=CCCCC2)cc1	507823047	DWAHNBXBTXNDNG-SFHVURJKSA-N	419.525	5.166	30	20	HKED	
CC1(C#N)CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CC1	507824306	JQBDZUOOYBRVBA-UHFFFAOYSA-N	417.278	5.146	30	20	HKED	
C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510004919	KYZYIPOQAGCUGB-QRWLVFNGSA-N	421.953	6.208	30	20	HKED	
COc1ccc(CNc2ccc(C(=O)N3CCCCCC3)cc2)cc1OCCCC#N	512342468	JXAQQFSNQHHYIY-UHFFFAOYSA-N	421.541	5.006	30	20	HKED	
C=C(C)CN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1cnn(C(C)C)c1	512517688	ZSBDINCKWCHYCT-UHFFFAOYSA-N	409.361	5.178	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)c1ccccc1	514028084	ZMQOCBAUKHCHJF-GHTZIAJQSA-N	411.933	5.185	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)cs1	514239271	MDZLBFYRFBQVMJ-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
CN(C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	514631112	QPZWCOMSTHQGFJ-KLPPZKSPSA-N	416.337	5.352	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc2ccccc2o1	515164917	ITNOZFNVQJJRGR-UHFFFAOYSA-N	417.278	5.232	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc12	518533676	NFTFLWPSVCNTIS-SFHVURJKSA-N	406.898	5.044	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1	519011836	ZJMUXNHVQIHFOG-QGZVFWFLSA-N	420.538	5.367	30	20	HKED	
N#Cc1ccccc1Sc1ccc(-c2nc(Cc3c[nH]c4ncccc34)no2)cc1	520467224	HNRJEHVNFWIQPJ-UHFFFAOYSA-N	409.474	5.227	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	521087048	KSMMQTYEARMSMR-MSOLQXFVSA-N	411.288	5.795	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2	521811331	CTVZUKXYZWVWTA-YJBOKZPZSA-N	409.511	5.179	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1csc(-c2ccccc2)n1	522464116	KRYIJCFDIOKDBZ-HNNXBMFYSA-N	408.552	5.526	30	20	HKED	
C=CCc1cc(CNC(=O)N(C)Cc2c(CC)oc3ccccc23)cc(OC)c1OC	523654364	URBAOOBUTAYXBY-UHFFFAOYSA-N	422.525	5.083	30	20	HKED	
CNC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	523899842	LDWBGRINIHXBHR-UHFFFAOYSA-N	420.856	5.008	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](C)c1ccccc1OC	524382213	QUCABZKFCFUVDL-GOSISDBHSA-N	418.493	5.352	30	20	HKED	
O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)c1cc(F)c(F)c(F)c1F	524853642	ZOFCVHZYSSAPLW-UHFFFAOYSA-N	417.733	5.803	30	20	HKED	
Cc1ccc2cccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2n1	525454963	ZUQJVJIBONJZMS-XMMPIXPASA-N	407.473	5.117	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)cc1	530330515	CWAYAYKFTIDNIF-OAHLLOKOSA-N	412.331	5.205	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C1CCOCC1	530605256	LVSHCUBOWPEUOP-UHFFFAOYSA-N	419.403	5.012	30	20	HKED	
N#Cc1ccccc1NC(=O)CCN1CCC(c2nc3cc(Cl)ccc3s2)CC1	532901536	BYTIFKFLJFUZTH-UHFFFAOYSA-N	424.957	5.030	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)n1C	534691010	LSTUHSQKGAALPU-OAHLLOKOSA-N	404.520	5.071	30	20	HKED	
C[C@H](NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccc(C#N)cc1	538396830	DJMLFKPNMJZSAI-FQEVSTJZSA-N	413.521	5.207	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)c2)cs1	541085373	RVXMUDCGLKWPOV-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H](C)c1nccs1	542378135	LKOMLELBYPTDBZ-KRWDZBQOSA-N	420.538	5.170	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(C#N)c(Cl)c1	548281902	URMQRTRKGHQYLN-UHFFFAOYSA-N	404.857	5.416	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1	549293983	GLWJECRQFDDWHA-AUUYWEPGSA-N	402.416	5.029	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2	553802092	YIRPYDWFBPVOLE-ZDUSSCGKSA-N	421.488	5.149	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(N2CCC(C)CC2)c1	554237166	JFEPYPYRAXGBTG-UHFFFAOYSA-N	409.578	5.311	30	20	HKED	
N#Cc1ccsc1NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1	556155424	MGNOLGQBPIXQCT-UHFFFAOYSA-N	413.911	5.002	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C(F)(F)F)cc1	562052269	UWWIKEPMMUTFSH-CABCVRRESA-N	421.488	5.246	30	20	HKED	
N#CCCN(Cc1nc(O)c2c(-c3ccccc3Cl)csc2n1)Cc1ccco1	577638672	XZPBDWGHKDLDGJ-UHFFFAOYSA-N	424.913	5.226	30	20	HKED	
O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(F)cc1C(F)(F)F	579051884	AILUSPRZDTWSGL-CYBMUJFWSA-N	401.228	5.156	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	579779800	ODBCRHHISJVBII-QMHKHESXSA-N	416.456	5.500	30	20	HKED	
CC(C)C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	583884216	NPJRBLBCYYSMJX-FQEVSTJZSA-N	410.949	5.089	30	20	HKED	
CC1CCN(Cc2ccc(-c3noc(C[C@H](CC#N)c4ccccc4)n3)cc2)CC1	589090117	DOVDJONUBNSUKE-QHCPKHFHSA-N	400.526	5.208	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc2cc(F)ccc2s1	592973802	HSSXAENBJBKIQY-CYBMUJFWSA-N	413.886	5.702	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Oc1cccc(F)c1	603532944	HYNYZMDEPTXAKJ-QGZVFWFLSA-N	406.432	5.146	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2C)cc1	603580614	YOCQPDDEZKARNB-UHFFFAOYSA-N	416.481	5.739	30	20	HKED	
Cc1cccc(OCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	604003854	ZSYHWIKTMZGACN-UHFFFAOYSA-N	414.505	5.356	30	20	HKED	
N#C[C@H](C(=O)c1cnn2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	604929782	UTLMMUBACGGUBU-CYBMUJFWSA-N	413.289	5.255	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1F	608552943	AUKVSIVDGLXWBV-AWEZNQCLSA-N	413.449	5.049	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)c1	608804957	KTMFEWIKQMQLTA-KRWDZBQOSA-N	404.466	5.008	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCCc2occc21	609079350	YFENURDERFKHCC-QFIPXVFZSA-N	401.466	5.238	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N(C)C	609398256	NGFOYKAVUKFGKC-KXBFYZLASA-N	416.978	5.016	30	20	HKED	
Cc1ccc(-n2c(-c3ccccc3)cnc2S[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1	609648530	FFBKVPCTRPLBFT-HSZRJFAPSA-N	424.529	5.038	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCc3c(O)cccc32)c1	609732059	SBNJMVDUTAUTLV-FQEVSTJZSA-N	404.853	5.127	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cc(Cl)cs2)cc1	609906925	ZPOMTYVKWYTACF-UHFFFAOYSA-N	410.926	5.618	30	20	HKED	
Cc1ccc(-c2nc(CCNC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)co2)cc1	609988810	MLLNBZBCFOLYIG-UHFFFAOYSA-N	422.488	5.238	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ncc(-c2ccccc2)o1	610068027	NFQDIGUOFQQEOU-QGZVFWFLSA-N	408.461	5.448	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1cccc(CSc2ccccn2)c1	610218733	NEIFGZZJZJSLGN-OAHLLOKOSA-N	423.538	5.504	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[C@H]1c1ccccc1	610321086	FZJHEDJBONWDQL-WZONZLPQSA-N	412.493	5.403	30	20	HKED	
Cc1cc(CN(C)C(=O)N[C@H](C)c2cccc(C#N)c2)cc(C)c1OCC(F)(F)F	610357291	JZGLKYNGXXYXIG-MRXNPFEDSA-N	419.447	5.019	30	20	HKED	
CC1CCN([C@@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)c2ccccc2)CC1	611093730	SUIQXVRDTDHQPD-FQEVSTJZSA-N	416.352	5.068	30	20	HKED	
N#C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc(Cl)cc1	619863992	LFTQJLXUTOITQO-FQEVSTJZSA-N	417.925	5.399	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	685670087	AZDXJJJUSHPMGI-RKDXNWHRSA-N	423.279	5.003	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)N[C@@H](C)c1cccs1	726487665	PZGBLKQDYDRQFM-LBPRGKRZSA-N	413.381	5.273	30	20	HKED	
CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O	726626170	AFNIHUCTQLCRKD-GIJQJNRQSA-N	414.939	5.405	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1	726942523	ZYQAKGMMHSMGBW-UHFFFAOYSA-N	409.489	5.616	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nnc(-c2ccccc2)o1	728299302	QLPLNVYSKJNDQL-MRXNPFEDSA-N	414.440	5.499	30	20	HKED	
CC(=O)N(c1nc(C=NNc2cccc3cnccc23)cs1)c1ccc(F)cc1F	728432509	VEQJTVWLCKENRS-UHFFFAOYSA-N	423.448	5.100	30	20	HKED	
Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)c3cccc(CC#N)c3)c2)cc1	731302493	GGYBTVYUQVGKNQ-IBGZPJMESA-N	412.489	5.160	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cnn(C(C)C)c1	732713687	FJDRZELSVHSHLS-CMDGGOBGSA-N	416.344	5.555	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)n1	740536828	WZBFQRCZUAJEQL-HXUWFJFHSA-N	411.486	5.233	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc(F)ccc1F	741058628	GUFJWLCSTKYBEI-GGAORHGYSA-N	405.448	5.893	30	20	HKED	
N#Cc1cc([N+](=O)[O-])cnc1Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1	742414793	FTPYJWWQGHPESN-UHFFFAOYSA-N	415.327	5.252	30	20	HKED	
Cc1cc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)ccc1-n1cncn1	742433806	AHFCHWBPEGSDBL-CSKARUKUSA-N	404.470	5.043	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1	742536120	FTMXGTFNNKCYIC-CMDGGOBGSA-N	404.495	5.151	30	20	HKED	
C[C@@H]1/C(=C/c2ccc(Oc3cnccn3)cc2)C(=O)c2cccc(Br)c21	743055654	IDWNBSASENNPHL-GPLLRDDGSA-N	407.267	5.415	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2cnn(C(C)C)c2)cc1OCC	746686473	GHZUUCIBPQEYOR-FPLPWBNLSA-N	421.335	5.310	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1	747108728	QFNQVEYYJYFFIA-SUMWQHHRSA-N	417.336	5.569	30	20	HKED	
CCn1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21	748483903	YNHDQOUWSUMFHC-LJQANCHMSA-N	419.937	5.857	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2ccccc2s1	750681901	RJEJLFDAYRXPJK-WFASDCNBSA-N	423.950	5.855	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCc3ccccc3)nc2)cc1	751085156	SUZMSXHPDGHBNC-VWLOTQADSA-N	419.484	5.568	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1cccs1	752208330	ATWSYRLRBOMELO-HRAATJIYSA-N	421.522	5.354	30	20	HKED	
CCN(C(=O)Cc1ccccc1NC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1	755634813	YRNCALNKRFAUOT-KRWDZBQOSA-N	407.514	5.057	30	20	HKED	
Cc1nc([C@@H](C)ON=CC(=O)Nc2cccc(F)c2)oc1-c1ccc(Cl)cc1	763171679	MLOQYSXQUOEIFK-CYBMUJFWSA-N	401.825	5.145	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	766264249	KVHZOPIJPWGJNZ-HNNXBMFYSA-N	418.440	5.478	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2nc(-c3ccccc3)cs2)cc1OC	766684623	NZJCTHKZGPSLSO-UHFFFAOYSA-N	402.903	5.422	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1	769243882	WDGZFLQZLTXROG-GOSISDBHSA-N	421.394	5.506	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1	770611760	NTVVSMSGUIJMNY-URXFXBBRSA-N	411.505	5.229	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCC(C(F)(F)F)CC1	774045101	XLQYHEYDPORBHX-QIMFLAQGSA-N	420.403	5.017	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccsc3)CC2)cc1	776903690	NMHNKSAJIVCKQD-HSZRJFAPSA-N	401.535	5.815	30	20	HKED	
N#CCOc1ccc(CN[C@H](CC2CC2)c2cc(F)cc(Br)c2)cc1	778454680	MPEFJTHCTKOCDY-HXUWFJFHSA-N	403.295	5.122	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cnc(-c4ccccn4)s3)cc2F)c1	779596604	YPRGHXQPWGSLBG-UHFFFAOYSA-N	416.481	5.407	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1	780153699	XYPBBSLMPLNYCV-GOSISDBHSA-N	408.461	5.082	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)OCC3(C#N)CCCC3)c2)cc1	780533273	RBKUEJYHUMJDSI-UHFFFAOYSA-N	405.494	5.028	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	780577373	ALWGFUDMNDVGFW-ZDUSSCGKSA-N	414.437	5.108	30	20	HKED	
OC1(c2cccc(F)c2)CCC(=NNc2nc(Cl)c(Cl)cc2Cl)CC1	783806803	OUUCDHAKKAKEDB-UHFFFAOYSA-N	402.684	5.411	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	791819664	NYPHTVUSKTYISA-UHFFFAOYSA-N	413.493	5.783	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1	793648990	IYZBKPTWELZLTM-UXHICEINSA-N	412.965	5.252	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2nc3cc(Cl)ccc3s2)s1	797569815	XQBRRGUHOCVPDN-LBPRGKRZSA-N	403.960	5.513	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2-c2csc(C)n2)c1	797669421	NOBGQBFBTMDPCB-KRWDZBQOSA-N	406.511	5.121	30	20	HKED	
C[C@H](OC(=O)c1cc(C#N)ccc1Cl)c1cccc(NC(=O)c2ccccc2)c1	803835707	ZFSZLGULINUMGS-HNNXBMFYSA-N	404.853	5.382	30	20	HKED	
CC(C)n1ncc2c(C(=O)OCc3ccc(C#N)cc3F)cc(-c3ccccc3)nc21	804084702	GEPANTUFOMABBE-UHFFFAOYSA-N	414.440	5.047	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](O)c2ccc(Cl)cc2)cc1Cl	813410251	OANXTEJMNVMKMV-FPOVZHCZSA-N	411.288	5.321	30	20	HKED	
C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccccc1-c1ccccc1C#N	814135830	PKVJYMXHKYTXAL-GOSISDBHSA-N	421.541	5.039	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc(-c2ccc(Oc3ccccc3)nc2)no1	904455312	UOEDABMHSBHDNQ-UHFFFAOYSA-N	401.422	5.164	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)CCOc1ccccc1-c1ccccc1	914776558	TWGGASYFJPAXSY-UHFFFAOYSA-N	407.853	5.262	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(OC(F)F)cc2)cc1	915352814	NEWNLKHVRNQCMF-JOCHJYFZSA-N	421.447	5.308	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(s1)CCCCC2	916883193	HIOSGCZDVQJFHK-HNNXBMFYSA-N	420.506	5.293	30	20	HKED	
C=CCN(C(=O)/C=C/c1cnccn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	918145717	JUYKXUWJTFHXDD-OUKQBFOZSA-N	424.529	5.500	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccccc1F)c1nc2cc(C(F)(F)F)ccc2s1	918491882	KOXHCURNHXDMNL-CYBMUJFWSA-N	422.403	5.490	30	20	HKED	
Cc1c(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)cnn1-c1ccc(F)cc1	920991160	BIJUDHQJEPWHPP-RUDMXATFSA-N	423.879	5.195	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(CC)c2)cc1	10174496	AZCQVRJMMZACQW-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1C1CC1	20981292	JGTUJZGZSGUXRC-MRXNPFEDSA-N	404.539	5.128	30	20	HKED	
CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nc2ccsc2c1=O	27841322	XOXYCWJXBVEGOF-UHFFFAOYSA-N	403.532	5.309	30	20	HKED	
Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)oc2c(F)cccc12	33196091	DGAYZHRCUBZCQV-UWVGGRQHSA-N	411.317	5.520	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1	62905078	XPTRZXREQIYUJR-UHFFFAOYSA-N	401.535	5.056	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1	110991543	HAXYXMQBTUHJFX-UHFFFAOYSA-N	421.504	5.050	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1	111183370	ZLZFCWBFUMJNTQ-UHFFFAOYSA-N	418.493	5.435	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2ccccc2nc1C	216752953	GMIYXFLRMQHUMY-UHFFFAOYSA-N	407.473	5.555	30	20	HKED	
COc1cc(C#N)ccc1Oc1nc(CN(C)C)nc2scc(-c3ccccc3)c12	301101651	KJZWIVLJBBJICL-UHFFFAOYSA-N	416.506	5.092	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccsc1	303348185	DOTCPEZMDPXYNP-VQIMIIECSA-N	416.616	5.204	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1)c1ccccc1	429102151	ZJHRGJMONGCMNP-UHFFFAOYSA-N	420.557	5.076	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c12	430588694	AFMLGYPHMOIAMD-CQSZACIVSA-N	408.527	5.297	30	20	HKED	
Cc1cnc(C(C)(C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	431089651	ZRVIBVQLLYMHET-GOSISDBHSA-N	424.957	5.817	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(COCc2ccco2)c1)c1ccccc1	432682258	RDTXWDQGBAVTGR-HSZRJFAPSA-N	403.482	5.553	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1	436328803	JWJSKXJEJNGTKW-FTJBHMTQSA-N	421.500	5.049	30	20	HKED	
C[C@H](N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1F	437047203	ZUJYVQAJWIFEIY-APPDUMDISA-N	404.329	6.060	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1C(F)(F)F	438635152	GOHAHDHUESRIFP-CQSZACIVSA-N	405.445	5.223	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1F	438668606	YMTSMNQFTAOTQR-IBGZPJMESA-N	401.441	5.511	30	20	HKED	
Cc1nc(-c2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)cc2)cs1	440616028	SCEINKOSHABILK-UHFFFAOYSA-N	413.506	5.045	30	20	HKED	
C=CCC[C@@H](NC(=O)N(CC)[C@@H](C)c1cccnc1)c1ccc(C(F)(F)F)cc1	441531238	BQSUJAZKHDFYQH-OXJNMPFZSA-N	405.464	5.900	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1	442087558	ZXMMGVMHKVNHOP-GFCCVEGCSA-N	406.255	5.146	30	20	HKED	
N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2Cc2cccs2)c1	461486038	GQIRKMMTUNPIBP-QFIPXVFZSA-N	411.534	5.268	30	20	HKED	
CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	464868591	FCWVXXBYKGXEBD-WMZOPIPTSA-N	414.958	5.750	30	20	HKED	
CN(Cc1ccccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCCCC1	468254406	HTLYYNBRORCLSK-UHFFFAOYSA-N	414.509	5.230	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)c1C	471420955	YNXQOGDRCWXLDU-CYBMUJFWSA-N	413.308	5.410	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1Br	472035614	SPPNHPMALQTIHZ-SJLPKXTDSA-N	403.707	5.014	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1C1CCCC1	475021841	DFJZJWMRAOCAFE-SFHVURJKSA-N	404.539	5.483	30	20	HKED	
CCN(C(=O)c1cc2sc(N3CCCC3)nc2s1)[C@H](C)c1ccc(C#N)cc1	475113085	FSCZCOPQJAGPMN-CQSZACIVSA-N	410.568	5.053	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	476121475	YDNSYMTVAFHWNM-RBUKOAKNSA-N	403.444	6.179	30	20	HKED	
N#CC1(C(=O)NCc2ccc(OCCSc3ccc(Cl)cc3)cc2)CCCC1	476283152	HDPOHWFEYVSLDN-UHFFFAOYSA-N	414.958	5.211	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1C(=O)N1CCCCC1	479955184	JQWDSSZUNCQDNL-UHFFFAOYSA-N	417.962	5.248	30	20	HKED	
CCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1cccc(C)c1	482695864	SEGRHNPBKAYJAT-UHFFFAOYSA-N	423.476	5.054	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C	485739504	AZPRRHGZYRNTTG-UHFFFAOYSA-N	417.534	6.169	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N	488141525	LRNOUPYOVBIOBK-INIZCTEOSA-N	404.539	5.065	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	488266843	QJJUFOJJZOMLQT-LJQANCHMSA-N	417.431	5.530	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nc(-c3ccccc3)no2)cc1	489699495	BHBWIUVRKZXKJU-INIZCTEOSA-N	412.449	5.582	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	500333964	VWKKMXHZMKOFDT-SFTDATJTSA-N	400.444	5.365	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)nn1CCC#N	504131092	KMHGDJUJZLKKOH-UHFFFAOYSA-N	415.280	5.457	30	20	HKED	
CCc1cccc2c(C(=O)[C@@H](Nc3cc(C)n(CCC#N)n3)c3ccccc3)c[nH]c12	504381846	OCSBZAORYZGJRC-DEOSSOPVSA-N	411.509	5.185	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)cc1	504751117	QYRYSBUROVGQGO-UHFFFAOYSA-N	417.336	5.258	30	20	HKED	
C[C@@H](SCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)c1nc2ccccc2[nH]1	505355406	IAYVWDFSBQGGEO-BDJLRTHQSA-N	419.337	5.045	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1	505703675	UISLLQVHOYQBKC-UHFFFAOYSA-N	415.424	5.161	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	509542983	RYEOFFPEOJIKKZ-UHFFFAOYSA-N	419.500	5.144	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F	510506247	OFMAHDRZXBAYBO-MRXNPFEDSA-N	419.456	5.689	30	20	HKED	
CCCOc1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc2ccccc12	513238234	KKYANEXGYASJOA-INIZCTEOSA-N	405.523	5.528	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1	515825201	FATWENYUTJAZTN-UHFFFAOYSA-N	423.513	5.037	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1	518282245	VUSQBPLDMKUUDZ-UHFFFAOYSA-N	413.352	5.011	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	518849294	ZBFRBMYWWJZGMM-INMHGKMJSA-N	413.226	5.497	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1	522066427	HRNOTKULMHDBSF-LJQANCHMSA-N	406.551	5.786	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NCC(=O)Nc1ccccc1SCC#N	524265620	YTIAFHUTCBNSGM-UHFFFAOYSA-N	421.953	5.982	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	524386554	HSWFSJVFKRGXRQ-UHFFFAOYSA-N	419.462	5.020	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccccc1C(F)(F)F	524652840	DOTLJBGYFDXDSC-UHFFFAOYSA-N	411.383	5.254	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccccn2)cc1F	525742088	HKSIQWZWIFBYLM-FQEVSTJZSA-N	402.429	5.254	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4Cl)nc3)[nH]c12	530858249	QKWUKESJBIHIRU-HNNXBMFYSA-N	402.841	5.202	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C	532979817	BCTUARXOHYDJHW-ZHALLVOQSA-N	411.546	5.036	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3cc(F)c(F)cc3Br)c2C#N)C1	533080733	VUYSUWLXIXWGAZ-MRVPVSSYSA-N	411.271	5.038	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1ccccc1	534681012	FWODPXFGGDHHSZ-GOSISDBHSA-N	421.518	5.181	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cc4c(cc3Cl)OCO4)cc2)cc1	534741347	UJDKGQGCPUXLOU-UHFFFAOYSA-N	406.825	5.179	30	20	HKED	
CN(C(=O)c1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1)c1ccccc1	535327761	WCSTUNNDKIABBT-UHFFFAOYSA-N	423.394	5.106	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1Cl	537433365	APDXLFAKWUYJNE-QFIPXVFZSA-N	411.892	5.803	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	537998046	LLJUHKOVZORFND-KRWDZBQOSA-N	401.535	5.299	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1	538400454	WTDVJQNOKZHMEK-UHFFFAOYSA-N	414.380	5.147	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCCCc2nc(-c3ccncc3)cs2)CC1	540183251	RBEUZCJGIGQNAG-UHFFFAOYSA-N	402.567	5.131	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1	541071000	QQJPLTZETDIKPX-QZTJIDSGSA-N	412.537	5.761	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCNc2ccccc2F)cc1	544297992	SYOKJRFMPAYSTA-UHFFFAOYSA-N	419.525	5.222	30	20	HKED	
N#Cc1cc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)ccc1Cl	544403211	YZQYQWIEKJIZBB-UHFFFAOYSA-N	421.334	5.261	30	20	HKED	
N#Cc1ccc(-c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)cc1	545613312	TYZCWYBLVXETMR-UHFFFAOYSA-N	420.472	5.065	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	546084311	FPWUEAXWGHJZPG-LSDHHAIUSA-N	400.931	5.582	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	548822759	HFRWRKDTTJEFTM-QHCPKHFHSA-N	404.558	5.169	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(C)(C)C(F)(F)F	548943905	BETNWMICJQHLGF-UHFFFAOYSA-N	405.420	5.156	30	20	HKED	
C[C@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1Br	557203616	PQKZDWMTSVGNLV-NSHDSACASA-N	409.736	5.407	30	20	HKED	
C[C@@](C#N)(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CCCCC1	571832179	JXYXMPIVJNHIRX-NRFANRHFSA-N	417.431	5.485	30	20	HKED	
Cc1ccc([C@@H](c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)C(C)C)cc1	572919896	DNTWVANITRMTBS-DEOSSOPVSA-N	416.525	5.045	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	573160618	PEWXINROJQPAGF-MNOVXSKESA-N	407.285	5.327	30	20	HKED	
C=C(C)COc1cccc(N[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)c1	589633172	LBNMKYSCLVHJAC-DEOSSOPVSA-N	402.494	5.442	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nc2ccccc2o1	592975505	HKRFKULLHOYYLO-CQSZACIVSA-N	410.401	5.648	30	20	HKED	
CC(C)CN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C#N)cc1	603618881	SXGHMYUCWFQWSI-UHFFFAOYSA-N	422.916	5.274	30	20	HKED	
CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	603755066	MXPYNMVZYDPSCZ-UHFFFAOYSA-N	420.513	5.367	30	20	HKED	
Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cnn1-c1ccccc1F	603967846	BQCSHWDOAFPAHV-UHFFFAOYSA-N	402.454	5.172	30	20	HKED	
Cc1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C(C)C)n1	604135818	VTLBQKKTUDROAL-LBPRGKRZSA-N	404.417	5.027	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccnc1OC(C)C	604361779	GKZFOUXOKZTQDG-UHFFFAOYSA-N	416.481	5.163	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cn2)cc1	607433761	BFMFWCVPGNGQOP-IBGZPJMESA-N	411.461	5.803	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2scnc2-c2ccccc2)cc1	609298622	FDIFNBYBYBSAOW-UHFFFAOYSA-N	415.449	5.865	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	609434685	IWRDEVCRJDOKTA-MJGOQNOKSA-N	418.566	5.974	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)CCC2	609553948	NLDMTVDVOWENCE-LJQANCHMSA-N	419.510	5.052	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609641877	HKERXGJWEPUGCG-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
N#CC1(C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)CCC1	609861801	OCAZNAUPHDIZJX-UHFFFAOYSA-N	410.342	5.086	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nccs1	610093569	LRXCVQGYELTYGF-HSZRJFAPSA-N	420.538	5.235	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nccs1	610095553	XCWXLBHEDNOYOE-QHCPKHFHSA-N	420.538	5.349	30	20	HKED	
Cc1ccc(-c2cnc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)s2)c(C)c1	613629882	QUGOYINZEWHAMA-UHFFFAOYSA-N	402.306	5.858	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	618742586	MUXOYPVCRMRQKW-OAQYLSRUSA-N	403.413	5.175	30	20	HKED	
C[C@@H](c1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1)C(F)(F)F	622477676	HBONLAMPLWHXDK-MEDUHNTESA-N	407.329	5.915	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CC(c2ccc(F)cc2)C1	644650227	BSYVRMVAKHTOJD-RVZSJEDASA-N	411.361	5.345	30	20	HKED	
Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	673732470	OGPQDRWLYPZYRK-UHFFFAOYSA-N	405.220	5.027	30	20	HKED	
COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2cccc(OC)c2)cc1	725855446	VJVAEIDVJVKTFB-UHFFFAOYSA-N	412.493	5.062	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3F)cc2)cc1NC(C)=O	726428266	IWNOVYQCJTYUPH-UKTHLTGXSA-N	419.452	5.268	30	20	HKED	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C#N)ccc1OC(F)F	728125330	WBFJCSMSKGYVTO-UHFFFAOYSA-N	413.346	5.232	30	20	HKED	
CC[C@@H](Oc1ccccc1C(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	730071288	JGGBQZGRDWIVRD-SJLPKXTDSA-N	412.942	6.107	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1	732495114	QQKXJRLRVYFHRT-FQEVSTJZSA-N	421.456	5.435	30	20	HKED	
Cc1nnc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)o1	740714088	NXHCTIZHTBHXND-UHFFFAOYSA-N	412.474	5.320	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc(C)c(F)c(C)c2)cs1	741468808	YJUSOJFEEWJZOD-TWGQIWQCSA-N	412.461	5.619	30	20	HKED	
CC(Cn1nc(C)cc1C)=NOCc1csc(-c2ccc(C(F)(F)F)cc2)n1	744179542	ZNAMLDKQRMEBKH-UHFFFAOYSA-N	408.449	5.235	30	20	HKED	
O=C(C=NOCc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1cccc(F)c1	744179645	ACYHYMAJJKBIJJ-UHFFFAOYSA-N	423.391	5.109	30	20	HKED	
COc1ccc(CN[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#N	746576021	JZJNYJAAZWQHQU-LLVKDONJSA-N	402.338	5.455	30	20	HKED	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2ccc(C#N)cc2)cc1	748061173	SLVIYMCOSGBDDS-UHFFFAOYSA-N	412.449	5.079	30	20	HKED	
CC(=O)N(c1nc(/C=C2/C[C@@H](C)c3ccccc3C2=O)cs1)c1ccc(F)cc1F	751536906	UZVHJELFMVZRJJ-NWFCWYBLSA-N	424.472	5.879	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(Br)c(Cl)c2)ccc1OC	755195841	QPVUHVPWUAJSLT-HNNXBMFYSA-N	423.738	5.082	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cc(Br)cc(Cl)c2O)c1	756710662	ZZJFWPOJJVKJBB-WFASDCNBSA-N	423.738	5.340	30	20	HKED	
CC(C)c1ccc(-c2ncc(COC(=O)c3ccc(NC(=O)CC#N)cc3)s2)cc1	757761636	YKBROPKRUCPEQA-UHFFFAOYSA-N	419.506	5.143	30	20	HKED	
CN(C(=O)c1ccc(C(=O)OCc2ccccc2C(C)(C)C#N)cc1)c1ccccc1	757858503	UETVSOAXYSWGMZ-UHFFFAOYSA-N	412.489	5.121	30	20	HKED	
C[C@@H](Nc1ccc(F)cc1OCC#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760218791	FDQFTEQQSBTPET-SNVBAGLBSA-N	407.232	5.258	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc3c(cc2Br)CCC3)cc1Cl	766522829	OPLWLEOAIRWRKZ-UHFFFAOYSA-N	406.736	5.272	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cncc(-c2cccc(C)c2)c1	768761958	BKAYLHMMHMQXOD-HSZRJFAPSA-N	411.505	5.143	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1	769515499	URLHLIRGQSSGRW-MRXNPFEDSA-N	419.352	5.465	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(N3CCSCC3)c(Cl)c2)c1	770546959	RVUPDBMFLLLNBD-UHFFFAOYSA-N	401.963	5.188	30	20	HKED	
Cc1cc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2cc1C	770841334	ZJXCSSHULGATNF-MRXNPFEDSA-N	414.433	5.326	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc2c1OCO2)c1nc(-c2ccc(Cl)cc2)cs1	770846474	JQOOJUBCWGZTLW-MRXNPFEDSA-N	410.882	5.001	30	20	HKED	
COc1cccc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1F	771269361	GBBIGECXSRKNDG-AWEZNQCLSA-N	410.289	5.278	30	20	HKED	
CCCc1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cnn1-c1cccc(C)c1	773186944	BERQEPQCKJFULH-UHFFFAOYSA-N	409.946	5.467	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(CCC)[C@H]2CCCc3cccnc32)c1=S	774613520	RMZOMYYBRLQSTO-SFHVURJKSA-N	409.559	5.002	30	20	HKED	
N#Cc1cc2c(nc1SCC(=O)N(Cc1ccco1)C1=CCCCC1)CCCC2	775055519	UWILXVSBBXRTDO-UHFFFAOYSA-N	407.539	5.004	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2cc(C)ccc2C)ccc1OC	779101407	NAUTXZNGEAOTIU-WNCULLNHSA-N	414.549	5.872	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1	780617373	SPQMHPWCGVKEJM-CYBMUJFWSA-N	400.866	5.013	30	20	HKED	
CS/C=C/C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	783558085	VEEMOWQQUAVSTF-KXMPLOMGSA-N	411.289	5.321	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@@H](C#N)c1nc2ccccc2s1	790767889	QPMANFXKPUUAFK-MRXNPFEDSA-N	421.522	5.452	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)C(=O)[C@H](C#N)c1nccc2ccccc12	792106560	RUPCKXMFHBGUTQ-HNAYVOBHSA-N	407.311	5.442	30	20	HKED	
COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(C(=O)N(C)C)cc3)cc2)cc1	792926141	VPZXOPOPZMZLGE-UBKPWBPPSA-N	401.462	5.085	30	20	HKED	
C[C@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1nc2ccccc2n1C(F)F	796847398	UEAAGMPTCSWIPS-LBPRGKRZSA-N	401.388	5.024	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813214190	UFXPDGWOJNQFDJ-INIZCTEOSA-N	415.440	5.260	30	20	HKED	
CC1(C)CN(c2snc(Cl)c2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1	814373928	ACHVFGSVJGRVPG-CYBMUJFWSA-N	401.841	5.043	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccs4)n3)n2)cc1	915099996	JSHGZYCJEXZBLN-INIZCTEOSA-N	421.572	5.723	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(OC(C)C)cc1	915943898	MWFDXPHSJNIZJR-UHFFFAOYSA-N	403.507	5.103	30	20	HKED	
CCCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	916915993	MYLMJMBKKKFCDM-QFIPXVFZSA-N	400.478	5.370	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1C	917046414	JSVUUKOMFWCRQE-MRXNPFEDSA-N	400.956	5.925	30	20	HKED	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	917604370	FEDHMYQGSZSINS-JXMROGBWSA-N	420.490	5.056	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	918710978	MJOZKDSNYNWMFK-UHFFFAOYSA-N	400.429	5.623	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccoc5c4)cc3)CCC2)C1	1790890522	VCNLTIAGIPOQBD-UHFFFAOYSA-N	400.478	5.147	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(CC)cc2)[n+]2ccc(CC)cc2)cc1	10173621	RYJRRZIGGJJCBA-UHFFFAOYSA-O	417.598	5.712	30	20	HKED	
Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c23)cc1	25785916	DXZFAHJORAUMEA-QRQCRPRQSA-N	424.595	5.202	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1	29204037	JRKKLDPGTGQEKF-UHFFFAOYSA-N	405.429	5.178	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1-c1ccco1	31159580	DVKCFCVSWIDQEL-UHFFFAOYSA-N	414.943	5.793	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1	47140725	CNBIXKSXLZOKNI-HNNXBMFYSA-N	419.978	5.284	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1Cc1ccccn1	51533642	FIWSNPPWVUAGFQ-OAQYLSRUSA-N	412.518	5.162	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cnn(-c2ccccc2)c1	56470021	WRFUJZHFCUFQPR-UHFFFAOYSA-N	408.461	5.026	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1SCc1cccs1	63576147	YBAVBHYYFVHEJX-UHFFFAOYSA-N	422.575	5.201	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2cc(C#N)ccc2F)n1Cc1ccco1	96995892	SIWQLKGXOZFKJC-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C	209578834	JCQNSNSIOSJPTE-GNUZOCDUSA-N	423.513	5.237	30	20	HKED	
N#CCCn1cc(CNCc2cccc(Oc3ccccc3)c2)c(-c2ccccc2)n1	237832523	BLWTXIXLPNIPFV-UHFFFAOYSA-N	408.505	5.546	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](c2ccccc2)c2ccncc2)c1	237839847	ZWUDSJIECYQNMB-MHZLTWQESA-N	405.501	5.411	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1	248017479	TVMYXRASXMKHSU-UHFFFAOYSA-N	410.926	5.482	30	20	HKED	
CSc1cccc(F)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	409470176	MPWDBYXBRMRHIU-UHFFFAOYSA-N	406.482	5.445	30	20	HKED	
CC[C@@]1(CO)CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	429170182	JZWSTBZUSVKYKX-NFBKMPQASA-N	411.933	5.012	30	20	HKED	
CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	431989107	YRYWSYJVROFXSY-OAQYLSRUSA-N	405.542	5.622	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	433968171	PPMCNPDGAWSAND-UHFFFAOYSA-N	404.228	5.230	30	20	HKED	
CC(C)[C@H](c1ccccc1Cl)N(C)Cc1cn(CCC#N)nc1-c1ccncc1	435124219	MVLFHJBZJPBPLC-HSZRJFAPSA-N	407.949	5.341	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cc(O)nc2c(Br)cccc12)c1ccccc1	435298365	LGCFIYJNZIPCGF-GOSISDBHSA-N	411.299	5.140	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCc2ccccn2)cc1Cl	435650132	CWJDMKLITPUAOX-NRFANRHFSA-N	404.901	5.145	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1Cc1ccccc1	438055700	YNZUVFOCHKPTGT-VQTJNVASSA-N	422.598	5.209	30	20	HKED	
Cc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)C(C)(C)C	438147798	DHSBOHHLEHEUIC-UNMCSNQZSA-N	418.541	5.283	30	20	HKED	
COc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cn2)cc1	438408445	DARFGKUCGHAZOV-UHFFFAOYSA-N	416.481	5.197	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(Cl)c1	438816059	YIKUESYFMMDYRX-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCO[C@H](c2ccco2)C1)c1ccc(C(F)(F)F)cc1	441535951	RLIJBZKJJDCHEC-MJGOQNOKSA-N	408.420	5.089	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(Br)cc1	444898007	FTPWMUMBOCSBSG-KBPBESRZSA-N	418.360	5.726	30	20	HKED	
C=C[C@@H](Cc1nc(CC(=O)Nc2cc(Cl)cc(Cl)c2)no1)c1ccccc1	445381529	YELWIDWSXNOFKM-ZDUSSCGKSA-N	402.281	5.070	30	20	HKED	
CC(C)[C@H](NC(=O)CS[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2	446703645	ANIMDHYJFBDATH-XDHUDOTRSA-N	424.566	5.027	30	20	HKED	
CC[C@@H](N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1	447595089	LAAMTPHKRPRUBE-MSOLQXFVSA-N	400.366	6.311	30	20	HKED	
Cc1sc(NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1C	463228919	GYEDFFFACLXHMK-UHFFFAOYSA-N	409.486	5.527	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1	464854176	FLXCWYIEKLKIRY-UHFFFAOYSA-N	411.461	5.260	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1	467071823	JZPYHEYTZBTHBT-SFHVURJKSA-N	403.894	5.810	30	20	HKED	
CCc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(Cl)cc1	471743108	AEMZGSMEYBYUIT-UHFFFAOYSA-N	408.889	5.023	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-]	475552686	CTZMUXOQDHXZCW-UHFFFAOYSA-N	401.894	5.464	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1)c1ccccc1	475761806	RTKHHLYIURAPQC-KRWDZBQOSA-N	415.493	6.128	30	20	HKED	
Cc1ccc([C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C2CC2)cc1	476383357	ZHGOOOIUMYSTFI-IWAAJCSBSA-N	403.526	5.007	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)Nc1ccccc1SCC#N	476997577	TZACLANNRKVSNL-JKSUJKDBSA-N	401.963	5.018	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(CC(C)C)c1C(C)C	479129745	GJBLEIFLUQSQRS-UHFFFAOYSA-N	400.571	5.050	30	20	HKED	
CC(C)C[C@H]1OCCC[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	480307232	NRNZWDJMUXMFTI-DNQXCXABSA-N	421.541	5.047	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cnc2ccccc2n1	483225238	ZSMPFCRMGLHLEI-HNNXBMFYSA-N	405.866	5.517	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)CC1CCCCC1	484545979	UOOHRIXHAYCJHO-UHFFFAOYSA-N	411.615	6.013	30	20	HKED	
CN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H](c1ccncc1)c1ccc(Cl)cc1	484611728	DPXFNRIOTPGDCH-OAQYLSRUSA-N	421.932	5.416	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cnc2ccccc2n1	484885486	OGOOWAHPPAKBJL-UHFFFAOYSA-N	414.852	5.224	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	486728417	IPEKJEMGQNDHST-INIZCTEOSA-N	423.513	5.012	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H](CCCC#N)c1ccccc1	487178829	WLRYXIYVVRHNPC-HXUWFJFHSA-N	423.513	5.335	30	20	HKED	
Cc1ccccc1NCCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	487997995	UCCLAEHYKVKLGU-UHFFFAOYSA-N	401.485	5.037	30	20	HKED	
N#Cc1ccc(Sc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)cc1	489276447	KDNOIGNWWXHFIX-UHFFFAOYSA-N	401.520	5.050	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1	494076681	CXVLGGNWVDEUSN-QFUCXCTJSA-N	409.555	5.340	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc(F)cc(C(F)(F)F)c1	500197527	JVONBIGEDBLDIP-UHFFFAOYSA-N	413.264	5.567	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C	503696469	MVBFGPHTHGMDQM-GOSISDBHSA-N	402.951	5.373	30	20	HKED	
N#CCCCCNC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1	505054678	MOXXGPCYNMDRCF-UHFFFAOYSA-N	419.337	5.331	30	20	HKED	
CC(C)OCc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	505349967	MUPUQOYLYRQLSG-RUZDIDTESA-N	414.505	5.185	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	505649762	RXODQMYTLZNPHN-UHFFFAOYSA-N	400.434	5.176	30	20	HKED	
C[C@@H](c1ccccc1Br)N(C)C(=O)N[C@H](CCC#N)c1ccccc1	506351508	NLTLDBBXHPQTKF-HNAYVOBHSA-N	400.320	5.197	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1	507774744	YGYDVPWRJMYTMW-UHFFFAOYSA-N	416.308	5.180	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1	507824717	JKQZRCUPYLGUHN-SFHVURJKSA-N	415.493	5.415	30	20	HKED	
CC1(C#N)CCN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1	507826966	QBSRXQBOZOEBSW-IBGZPJMESA-N	402.922	5.465	30	20	HKED	
O=C(NCc1ccccc1C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509237387	RYIMVXAMTMABJH-OAHLLOKOSA-N	408.317	5.337	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	510517261	ZELUVPZCLOPJLH-UHFFFAOYSA-N	423.394	5.390	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC3CCN(c4ccc(C#N)cc4)CC3)cc2)cs1	513760436	IXPIORONKTUGAR-KRWDZBQOSA-N	402.567	5.310	30	20	HKED	
C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1	516216850	VXYVMFAJIOOOEL-QHCPKHFHSA-N	411.509	5.029	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1	518140449	RQJGEZCHQYRAAL-AWEZNQCLSA-N	409.536	5.323	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1	519450407	FDGHVSYTXUNBIG-AWEZNQCLSA-N	418.360	5.365	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	520940364	PCHVRSFXVIFKBC-KGLIPLIRSA-N	422.381	6.613	30	20	HKED	
Cc1ccccc1C1(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCOCC1	521260172	XYGOMXPBFDOGJS-SFHVURJKSA-N	423.582	5.117	30	20	HKED	
Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	525845416	NSEOBIRHCVSCOH-OAQYLSRUSA-N	417.896	5.190	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccccc1	534000925	RHMOJCOVWFTVTH-INIZCTEOSA-N	414.908	5.016	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(OC3CCC3)cc2Cl)ccc1OCC(F)(F)F	534639917	XMDRFFRXNBEMPJ-UHFFFAOYSA-N	424.806	5.336	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2C)c1ccc(C(F)(F)F)cc1	536231466	GDRZGGSZFWULTD-LJQANCHMSA-N	416.443	5.052	30	20	HKED	
C=CCOc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)cc1Cl	536234126	TWLBHBHNQHCICK-IBGZPJMESA-N	404.297	5.129	30	20	HKED	
CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1	537012378	NWGLWVOPXRBXBK-IBGZPJMESA-N	412.537	5.606	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cc2)CC1	538530241	SBADKPRTLFZNEY-UHFFFAOYSA-N	421.928	5.210	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	540245205	NPVCYGOYDMCHBK-FUHWJXTLSA-N	418.447	5.527	30	20	HKED	
Cc1sc([C@@H](C)NCc2ccccc2C(C)(C)C#N)nc1-c1ccc(Cl)cc1	541646306	FRDSDKWAXZGHRN-OAHLLOKOSA-N	409.986	6.424	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1	544251473	WLRTVMOTQNUEAN-DFBJGRDBSA-N	411.505	5.105	30	20	HKED	
C=CCCO[C@@H](C)c1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1	547036147	WSQMZKRJPRDBQO-SFHVURJKSA-N	400.482	5.302	30	20	HKED	
C[C@@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)N(CCC#N)c1ccccc1	556961093	INSIQLMETZAGAT-ZIAGYGMSSA-N	408.304	5.118	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(F)ccc1Br	557727940	MTKLVWKFBARXFR-GFCCVEGCSA-N	422.323	5.304	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccc(F)cc2)cc1	564528573	JUFUDRUPQJNABD-QFIPXVFZSA-N	414.402	5.604	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OC(C)C)CC1	565468398	MQQMNLWRFYBERD-UHFFFAOYSA-N	409.361	5.222	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1Cl	568349261	XFZDVGLOSWFSRG-UHFFFAOYSA-N	419.655	5.353	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	572626066	JLNSNNYMBSKPOH-UHFFFAOYSA-N	411.421	5.353	30	20	HKED	
C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N(CCC#N)c1ccc(F)cc1	598774995	NKOUSEQSHGBNFS-INIZCTEOSA-N	401.441	5.472	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(C)C)cc1	603705759	SXPUHADOWJXMJF-VFNWGFHPSA-N	411.933	5.177	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1C#N	604244598	WJNVRINIWLCLBL-KRWDZBQOSA-N	416.550	5.054	30	20	HKED	
CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	604495232	CZSPCFJFRGIUBN-UHFFFAOYSA-N	420.538	5.058	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609054367	FSQJBBPISOPOSJ-UHFFFAOYSA-N	408.885	5.761	30	20	HKED	
Cc1noc(C(C)C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609063230	RTSXMSYFECIULP-UHFFFAOYSA-N	409.873	5.463	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	609177437	UHMYHKSSGDNTLM-HJPURHCSSA-N	411.461	5.197	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3F)c3c(C)noc3n2)c(C)s1	609217420	FEUMIETZOFBHMJ-UHFFFAOYSA-N	420.469	5.164	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1	609377559	XJOOAOSZAAPHSF-QGZVFWFLSA-N	422.550	5.160	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)CC3	609434512	SONLPNSWSPYMOU-UHFFFAOYSA-N	422.488	5.731	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc2ccccc12	609436389	NATFLJFVKZADKN-DLBZAZTESA-N	417.534	5.050	30	20	HKED	
Cc1cc(CN(C(=O)[C@@H](C)Oc2ccccc2C#N)C2CCCC2)c2ccccc2n1	609482380	IHRSSRRQWYIFPV-LJQANCHMSA-N	413.521	5.154	30	20	HKED	
N#CCCn1ccc(NC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1	609789647	HUHVWJVDPGAMKA-UHFFFAOYSA-N	401.253	5.148	30	20	HKED	
C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(C#N)cc1	609813480	AHOLHYOKUUPZHK-AWEZNQCLSA-N	410.930	5.570	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1-c1ccc(Cl)cc1	610090837	KVVPIYOANJRJNR-QGZVFWFLSA-N	403.913	5.781	30	20	HKED	
C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)c(Br)c1	610277792	QBXURDJALUMNFP-SNVBAGLBSA-N	415.222	5.089	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1Br)c1ccccc1	610973785	VIEJMVJODZLANO-VQTJNVASSA-N	412.331	5.341	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cccc1-c1ccccn1	611111161	QLKQXAKBUPVCRT-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1ccc(Br)cc1)c1ccccn1	613296596	MGXXYPFNFFAEKF-SFHVURJKSA-N	423.335	5.626	30	20	HKED	
N#CCn1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc2ccccc21	614582993	RZRNTBZYXVYTKH-GOSISDBHSA-N	423.900	5.018	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	618752369	SGJPAURZGOJBLT-RUZDIDTESA-N	422.488	5.126	30	20	HKED	
CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nc1	645955597	VEEKPRNGKGMSFH-CYBMUJFWSA-N	419.428	5.377	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)s2)c(F)c1	669693858	HWNVFHDCMSZWPV-QGZVFWFLSA-N	417.465	5.305	30	20	HKED	
N#C[C@H](C(=O)c1cccc2cccc(Br)c12)c1ccc2ccccc2n1	671746226	XYZSWBJGOVBYMA-KRWDZBQOSA-N	401.263	5.641	30	20	HKED	
COc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O	726626217	BDHYCMOOFYWYEU-FRKPEAEDSA-N	421.330	5.279	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)N[C@@H](C)c1cccs1	727978761	MRBDBKJYURDODN-INIZCTEOSA-N	407.564	5.555	30	20	HKED	
Cc1ccccc1-c1cccc(C=Nn2c(S)nnc2COc2ccc(F)cc2)c1	729635527	YQJYOTWZAMIGHL-UHFFFAOYSA-N	418.497	5.143	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-]	730152029	YAXOXACLYVNIKU-GORDUTHDSA-N	402.200	5.008	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)cc1	730173185	SKJKSXLDNJUDKN-UHFFFAOYSA-N	408.860	5.314	30	20	HKED	
C#CCN(C(=O)Nc1ccc(C)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21	733615528	RGELSKXWENOGRC-LJQANCHMSA-N	413.315	5.057	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(C4CC4)sc3c2)c1	733844679	UAKMVSAZDAOSCJ-KRWDZBQOSA-N	406.511	5.176	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccncc1	734655182	KTLWCAAKAQGIQC-LADGPHEKSA-N	417.578	5.728	30	20	HKED	
Cc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	734965513	MAZLJULHJZSGFW-BBRMVZONSA-N	402.441	5.994	30	20	HKED	
Cn1c(CC(=NOCc2ccccc2OC(F)F)c2ccccc2)nc2ccccc21	735488676	WUHKUVDCZQFGMS-UHFFFAOYSA-N	421.447	5.338	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)c3ccccc3OCC#N)s2)cc1	739612009	ZBIBYLQZTYZRIK-QGZVFWFLSA-N	405.523	5.163	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1ccccc1F	743094869	DJRDDPFBHXCOGE-LAUBAEHRSA-N	403.457	5.070	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)/C(=C\c1ccc(F)cc1)c1cccs1	745063335	IRJKDVAUTKVQCL-JCMHNJIXSA-N	402.494	5.514	30	20	HKED	
CCCCCCn1nc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2ccccc2c1=O	747199627	YNGLXJJKEZUKGK-SFHVURJKSA-N	422.554	5.047	30	20	HKED	
Cc1cc2nc(-c3ccccc3)cc(C(=O)NC3(C#N)CCSCC3)c2cc1C	756030058	PLIBAFSCHDLJBQ-UHFFFAOYSA-N	401.535	5.038	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2C)cs1	756788062	RGDJSFCACBYMIY-XFXZXTDPSA-N	421.478	5.249	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N	758121704	IGURWDWTDJNMTP-KGLIPLIRSA-N	418.415	5.275	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1	762213545	IPZJRLCUKFDCPL-UHFFFAOYSA-N	403.404	5.019	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)C1CCC(C)CC1	764759824	SSVJTXWYFREZHY-UMPYDWHISA-N	411.571	5.304	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1	767836296	PJHSKCVKRXOBIH-GOSISDBHSA-N	405.882	5.095	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	768070857	HVJZZGZZTFTOMD-UHFFFAOYSA-N	416.371	5.217	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2nc(-c3ccccc3)cs2)ccc1OC	772986008	MNIZIYBUTNWUKH-VQIMIIECSA-N	407.539	5.350	30	20	HKED	
COc1ccc(-c2ccncc2)cc1/C=C1\SC(=Nc2c(C)cccc2C)NC1=O	773905758	CLYCKMRTOQRUOJ-STZFKDTASA-N	415.518	5.266	30	20	HKED	
C#CCN(C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)C1CCCC1	776298582	VHDAMWFDGNSGQH-UHFFFAOYSA-N	409.917	5.026	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(C3CCCCC3)n2)cc1	776516277	LMCXPBICFDFMOC-NRFANRHFSA-N	406.530	5.001	30	20	HKED	
N#C[C@@H](C(=O)c1cc(OCc2ccccc2)ccn1)c1nc(-c2ccccc2)cs1	779194025	JDWPKUMGVIAEGA-FQEVSTJZSA-N	411.486	5.274	30	20	HKED	
Cc1cccc(Oc2ccc(NC(=O)CNc3ccccc3O[C@H](C)C#N)cc2)c1	779740066	FAZAYWSSGZLVFK-GOSISDBHSA-N	401.466	5.129	30	20	HKED	
CCC[C@@H]1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	780311849	GGEWGTXQULQBLG-BJJXKVORSA-N	423.365	5.888	30	20	HKED	
CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CCC2	780414050	PBRQLZUHAXNIEY-OAQYLSRUSA-N	415.497	5.327	30	20	HKED	
COc1ccc(CCN(CC(C)(C)C)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	780667481	IHKIPXIORFKEEH-SFHVURJKSA-N	409.530	5.109	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCO1	781797529	OKVDDEUGQLCRAR-NJSLBKSFSA-N	404.482	5.106	30	20	HKED	
O=C(/C=C/c1ncc(C(F)(F)F)s1)c1ccc(OC(F)F)cc1OC(F)F	788350503	PXYJXOISEAFIMV-ONEGZZNKSA-N	415.286	5.261	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccco1)Cc1ccccc1O	789449709	JAWBQIPUSSDRSH-UHFFFAOYSA-N	404.510	6.071	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)ccc21	792100029	COIUBDDOZUEABI-FQEVSTJZSA-N	413.477	5.022	30	20	HKED	
C=CCn1c(-c2ccc(C)cc2)nn(CN2CC(C)(C)[C@@H]2c2cccnc2)c1=S	793576683	XTSYOAXXCCDPRY-FQEVSTJZSA-N	405.571	5.011	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1	795483510	VEXFEKXJVPKNKU-KRWDZBQOSA-N	417.412	5.027	30	20	HKED	
COc1ccc(CN[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1C#N	796469164	GVSVWQKOFYTPBP-GOSISDBHSA-N	408.716	5.249	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)OCC(C)(C)CCC#N	798877091	HAYLYJJUGVTKOA-UHFFFAOYSA-N	408.329	5.212	30	20	HKED	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	802041228	QWVAEXFGMFEFCZ-BBWFWOEESA-N	401.293	5.007	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCc3c2[nH]c2ccc(C)cc32)ccc1OC	808705267	CDUFIHVTCOEHFW-XMSQKQJNSA-N	403.526	5.333	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1c(Cl)cccc1Cl	813123701	OTEKFVSPSHFZKV-GFCCVEGCSA-N	419.051	5.203	30	20	HKED	
CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1	913459195	SRWCIWOWISHLGY-HSZRJFAPSA-N	423.520	5.059	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1	915352307	GWIWGWCNPXLCEX-VWLOTQADSA-N	423.516	5.469	30	20	HKED	
C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915359725	ZJCWOGKOJZCYIE-GBXCKJPGSA-N	404.558	5.118	30	20	HKED	
O=C1CCc2cc(C(=O)/C=C\c3ccc(-c4ccccc4[N+](=O)[O-])s3)ccc2N1	915993594	SMKJZPMCCUNXPZ-YFHOEESVSA-N	404.447	5.104	30	20	HKED	
COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1	916277560	LMZPJVQVTIQLFV-UHFFFAOYSA-N	410.886	5.038	30	20	HKED	
N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1nc(-c2ccccc2)cs1	917025957	SXBKDHAFGWZGQY-OAHLLOKOSA-N	421.572	5.778	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	918491516	BINASTBXRCFEOE-FOIQADDNSA-N	409.898	5.101	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccccc2OCc2ccccn2)cnn1-c1ccc(F)cc1	920991127	AKARUACDBHFPKC-ZROIWOOFSA-N	413.452	5.190	30	20	HKED	
C[C@H](NC(=O)Nc1cc2c(nc1O)CCCC2)c1ccc(-c2cccc(C#N)c2)cc1	1563035879	IOPJQZWVLHJIMO-INIZCTEOSA-N	412.493	5.087	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C)cc2)CCC1	1787344675	HPDVDGYNOZRPOP-OAQYLSRUSA-N	406.526	5.413	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1	1789075736	KYTWNJGWNZHWKB-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5s4)cc3)CCC2)C1	1789255546	XGKVTXIKFOIMTH-UHFFFAOYSA-N	422.575	5.677	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(O)c(F)c3)CCC2)cc1	1789456245	NMCWFIGNDIAWST-FQEVSTJZSA-N	422.500	5.047	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](CCC)CC1)C2	1798593420	KESVIRCUVSLPPX-HRMJIJJXSA-N	402.623	5.224	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)s2)CC1	1825789793	SGSACDFBUQWTCD-SFTDATJTSA-N	414.615	5.058	30	20	HKED	
C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1cccc(C#N)c1	4925640	ZCCLGOUNEHESOP-HNNXBMFYSA-N	421.526	5.034	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccccc1	8573677	BZPJJZLPNWUBMX-NQIIRXRSSA-N	420.582	5.269	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1C1CC1	22988031	FGRFCHPNONFKRR-LLVKDONJSA-N	421.448	5.264	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)c3cc(C)nc(C)n3)c2)c(C)c1	41574641	IOXLHFVVOLAYDS-NRFANRHFSA-N	401.535	5.493	30	20	HKED	
Cc1nc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc1SCC#N	44789598	BGKKUHFVEHORQK-KRWDZBQOSA-N	411.577	5.539	30	20	HKED	
CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H](C)c1ccc(C#N)cc1	65839910	RGROIBDNMIIUDH-IBGZPJMESA-N	409.489	5.232	30	20	HKED	
COc1ccccc1-c1n[nH]c(/N=C(\O)[C@H](Sc2ccccc2)c2ccccc2)n1	78402280	VCBMMWUMHDQBNZ-HXUWFJFHSA-N	416.506	5.602	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)s1	108398330	CPOLDTWAPUWYHD-UHFFFAOYSA-N	410.499	5.282	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C	115963529	LQOJMGJXCGPSJY-UHFFFAOYSA-N	417.943	5.745	30	20	HKED	
COc1ccccc1[C@@H](NCc1cccc(OCCCC#N)c1)c1ccccc1Cl	237232904	JQNCJGDRWQGBBA-VWLOTQADSA-N	420.940	5.910	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccccc1C(F)(F)F	303293424	BHJQFWSGPFUONU-OAHLLOKOSA-N	421.488	5.170	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H](c2ccccc2)O1	303315860	GRYQNQCQYKEEAX-UUOWRZLLSA-N	413.477	5.344	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	429027974	JJDLOEOGSVOCNJ-UHFFFAOYSA-N	415.280	5.031	30	20	HKED	
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433628593	NICBPXDSTQSGHU-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
Cc1c(Br)ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1F	433730228	JWDSIXUUJYCTJC-UHFFFAOYSA-N	414.278	5.090	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1	435114609	UQOSBZIPUJMJFD-RTWAWAEBSA-N	408.933	5.170	30	20	HKED	
O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1c(F)c(F)cc(F)c1F	436466987	XNNHKTPEPRCDHP-CYBMUJFWSA-N	403.656	5.069	30	20	HKED	
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	437101427	XMKVYZJGWHEPAZ-WOJBJXKFSA-N	410.608	5.597	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	438072610	BOYYXYNJIOTVAG-VQTJNVASSA-N	422.598	5.067	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1	438077662	LVRYGJTXMSRQJF-LSDHHAIUSA-N	413.547	5.394	30	20	HKED	
C[C@H](SCc1ccc(C#N)cc1OC(F)F)c1nc(Cc2ccccc2)no1	439552741	WCQCXIWECVRWQQ-ZDUSSCGKSA-N	401.438	5.128	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NCC(=O)NCc2cccc(C#N)c2)cc1	439554399	YNIIVOPBDCQUOB-SFHVURJKSA-N	401.535	5.140	30	20	HKED	
CCCOc1c(Br)cc(CNCC2CCC(C#N)CC2)cc1OCC	441373462	BAJGRSUORKEPAO-UHFFFAOYSA-N	409.368	5.056	30	20	HKED	
N#C[C@H]1N(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CCC[C@]12CCCCO2	442805313	YIMQDOQNZHTNFK-DYESRHJHSA-N	418.324	5.056	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCC1CCC(C#N)CC1	442871738	XOPFOFCSVCRFML-IUDNXUCKSA-N	418.404	5.862	30	20	HKED	
CN1C(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(=O)[C@@H]1c1ccccc1	445980509	DTGIUOZRPXFFJH-NRFANRHFSA-N	417.852	5.144	30	20	HKED	
C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1	460798864	NKYSGHKBVNFMQJ-HXUWFJFHSA-N	410.493	5.050	30	20	HKED	
C=CCOc1cccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	464048720	ODFYGJUHTSYQEI-UHFFFAOYSA-N	404.457	5.684	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2CCC(F)(F)F)c1	465117754	ZJGMPVDXDLQIMT-UHFFFAOYSA-N	424.422	5.884	30	20	HKED	
C[C@@H]1C[C@H]1[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1	466124816	FIOAOVSLQLAYKZ-AVIJNYRZSA-N	423.944	5.162	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2oc3ccccc3c2CSc2cccs2)n1	468792215	BKHNZMIDTYQCMV-UHFFFAOYSA-N	422.535	5.688	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)on2)c1	468883601	GQWNZEBFGFKPRH-UHFFFAOYSA-N	419.362	5.550	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)n1	470100862	ADKBUTNVWYQTAA-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1C(=O)N(C)C(C)C	470461361	BJTQRVXVKCALSJ-UHFFFAOYSA-N	411.505	5.266	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CNc2cccc(CC(F)(F)F)c2)ccc1Cl	470529786	PULGODXKEGUFMT-UHFFFAOYSA-N	409.839	5.112	30	20	HKED	
CCC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	471396829	QTVXSIZIUYTSNW-UHFFFAOYSA-N	418.880	5.636	30	20	HKED	
N#Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1F	478557408	YSGGTGVYWAOENW-UHFFFAOYSA-N	414.893	5.148	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)c1	479584146	AJFPZGYMZVEZCK-OAQYLSRUSA-N	417.322	5.512	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)cc1	483188278	FZLSVBSGKMPMTF-UHFFFAOYSA-N	423.419	5.317	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nccc2ccccc12	483197327	KNWNBWZTDHBAJK-MRXNPFEDSA-N	416.893	5.319	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nccc2ccccc12	483212492	RLYAGNSFEJVSNY-FQEVSTJZSA-N	400.384	5.795	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1cnc2ccccc2n1	483220404	WQXGHRVOLWVXDF-IBGZPJMESA-N	411.848	5.004	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(Br)ccc2Br)cc1	483267685	NMLHUUFLTRQNGT-UHFFFAOYSA-N	422.120	5.265	30	20	HKED	
Cc1ccc(C)c(N2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	483323331	IVVAHJDEIAGXDM-IBGZPJMESA-N	408.571	5.052	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	485767651	FMJSYRBANZRCFX-UHFFFAOYSA-N	403.507	5.861	30	20	HKED	
N#CCCN(C(=O)CC1CCC(c2ccccc2)CC1)c1ccc2c(c1)OCCO2	486296339	BUHLZNLJQBTFRC-UHFFFAOYSA-N	404.510	5.069	30	20	HKED	
CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(OC)c(OCCCC#N)c1	493921544	WSWVZRKPGRDVGS-NRFANRHFSA-N	413.905	5.008	30	20	HKED	
N#Cc1cccc(-c2cnc(CNC(=O)[C@H](Sc3ccccc3)c3ccccc3)[nH]2)c1	494620084	MYEKAIHOWJBFNW-XMMPIXPASA-N	424.529	5.098	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cc(Cl)c(F)c(Cl)c3)CC2)c1	494896453	VYVVSIZZMYYKBZ-UHFFFAOYSA-N	408.260	5.079	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)NC3(c4cccc(C#N)c4)CC3)s2)cc1	495069753	UMRDUXJIEASAFF-KRWDZBQOSA-N	416.550	5.348	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1	498703126	KPRDOQQHFFTKGC-INIZCTEOSA-N	424.463	5.072	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)sc2c1CCCC2	499328981	UOLDXFMAIIRJMM-HUUCEWRRSA-N	401.329	5.003	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)oc2ccc(Cl)cc12	499433654	XJQNTPQWLLYQHX-OAHLLOKOSA-N	403.663	5.152	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1)c1ccccc1	500118357	WLTTWRAXDUXQFS-HXUWFJFHSA-N	418.497	5.415	30	20	HKED	
Cc1nc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)sc1SCC#N	504747322	ZDTIWERGPZUXHW-OAHLLOKOSA-N	409.536	5.140	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	505982557	SQVZKEAVLHIBHE-BBWFWOEESA-N	412.333	5.209	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)c1	507271975	XSHVTCPAVKUSDT-OAQYLSRUSA-N	402.523	5.060	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@@H](c2nccs2)C1	508798819	XSEUIPKUTYAREW-CYBMUJFWSA-N	420.369	5.278	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1C(F)F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	509011494	KJMXSSJFLIZORG-OALUTQOASA-N	410.489	5.897	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509720862	TUKGSLOKRMIKCR-OAHLLOKOSA-N	424.316	5.582	30	20	HKED	
Cc1ccccc1OCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510649089	MXTQQQCRSCKBSI-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)N1CCCC[C@H]1C	510750190	SSGSCXDWWJXGOR-RTBURBONSA-N	406.530	5.043	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3Cc3ccccc3)c2)c1	511476746	NSDOXZOQGJKOMZ-XMMPIXPASA-N	424.504	5.050	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1ccc(C(F)(F)F)cn1	513029203	JGWKSKXQKGENFJ-LJQANCHMSA-N	414.358	5.309	30	20	HKED	
Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(OCc2ccccc2)c1	515687274	AZYMMXBWCJQGJP-UHFFFAOYSA-N	402.519	5.318	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	517474191	YEPUIWDHQSLFJI-HZPDHXFCSA-N	422.579	5.945	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	517661245	RZMWSCVSQCLAKK-UHFFFAOYSA-N	415.537	5.303	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1	517801190	ZWBRQQZIKWUBFW-CQSZACIVSA-N	403.290	5.616	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	518205727	QQPCXIOMNPYNDN-NEPJUHHUSA-N	424.410	6.018	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n(CC(C)C)c1C	518653980	RTXQVXVKRXHGRT-OAHLLOKOSA-N	416.616	5.281	30	20	HKED	
CCN(C(=O)CCOc1ccc(C)cc1Br)[C@H](C)c1ccc(C#N)cc1	520864525	ZHQDTJWFDYNLDO-MRXNPFEDSA-N	415.331	5.008	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	521243886	BVRNQIXNAANNDR-RPBOFIJWSA-N	412.489	5.082	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1Br	521675418	HHEYMCVEGWVKRS-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3Cc3ccc(F)cc3)c2)c1	522322009	WVLFUQKYJKSLFH-DEOSSOPVSA-N	414.480	5.124	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCc1ccc(C#N)cc1	523000189	FUTICONVERCRBZ-CQSZACIVSA-N	410.930	5.204	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1	524673813	IHHIFVJBVGRNIR-UHFFFAOYSA-N	407.520	5.258	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n1	532341695	UGYGBWMVTRTSBM-UHFFFAOYSA-N	412.824	5.475	30	20	HKED	
COc1cc(CN[C@@H](CCC#N)c2ccccc2)ccc1OCc1c(C)noc1C	533496456	CLHCPCZYJHJUHL-QFIPXVFZSA-N	405.498	5.014	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(C[C@H](C)C#N)C3CC3)cc2Cl)n1	533603382	RVJVLLFRPXOVSW-LLVKDONJSA-N	406.964	5.412	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	536242303	CBEKPHKXCWMTQQ-ZTOMLWHTSA-N	403.547	5.434	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1c(C)nn(C)c1C	536395098	NFXVABQLRFKGOM-LJQANCHMSA-N	422.916	5.235	30	20	HKED	
CC(C)[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C(F)(F)F)c1	537058071	HTJICYFJOVOVRX-IBGZPJMESA-N	400.404	5.114	30	20	HKED	
Cc1ccccc1C1=CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	542015785	RKWFTQKIVYHFPU-UHFFFAOYSA-N	423.516	5.571	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1	543985912	DOELRWPVGSNTAP-SFHVURJKSA-N	416.889	5.671	30	20	HKED	
CCO[C@@H](c1ccc(C)cc1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1	545116812	DIIOTVKACDSCCH-XXFRDUSWSA-N	412.493	5.543	30	20	HKED	
CC[C@@H](CC#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1	546586843	OSWGHADVEUSRLS-INIZCTEOSA-N	403.345	5.163	30	20	HKED	
N#CCCC[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1	552082958	LDZKKMBSECAARG-JOCHJYFZSA-N	419.456	6.051	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	553339263	DAOCEKBIACZQPQ-GOSISDBHSA-N	411.546	5.112	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1ccc(Oc3cccc(Cl)c3Cl)nc1)CC2	555770447	LITYFWGZYHVRNB-UHFFFAOYSA-N	410.260	5.255	30	20	HKED	
Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	556031428	XGOSBIINZOOAFQ-UHFFFAOYSA-N	419.868	5.198	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1	558619566	HFGGQPPIFDLNQZ-UHFFFAOYSA-N	424.932	5.146	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccs1	559162163	IJWDDNFULDKGOI-NRFANRHFSA-N	405.571	5.060	30	20	HKED	
CCO[C@H](c1noc(CC2(C(F)(F)F)CC2)n1)c1ccc(F)cc1C(F)(F)F	578281818	IMCDFZWSFNYARS-ZDUSSCGKSA-N	412.305	5.238	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1ccccc1	583236154	FKSPVWZQIDILDJ-OAQYLSRUSA-N	407.489	5.563	30	20	HKED	
N#Cc1cc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)nc2ccccc12	589041583	HPMCKFHYSOXBOT-UHFFFAOYSA-N	406.417	5.420	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CCC)c1ccccn1	591605282	OCYGZMZWNBKZTD-LJQANCHMSA-N	420.326	5.222	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1C	603758672	AHDFNRGNWCVQJB-OAQYLSRUSA-N	417.896	5.515	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccco3)cn2)cc1	603801676	FXAFUJURARSVMG-HSZRJFAPSA-N	410.433	5.250	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2cc(F)ccc2s1	604103508	WDBBVPZBWFJULS-UHFFFAOYSA-N	403.438	5.660	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1	604506156	ODXVOBPPGYZPTJ-UHFFFAOYSA-N	417.509	5.019	30	20	HKED	
Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609062214	GHDFJDLBVJNWRY-ZDUSSCGKSA-N	409.873	5.138	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1	609174662	RZXWSNYMCBFGSL-UUOWRZLLSA-N	402.469	5.279	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)c2)cc1	609208648	CPUHCTKDNKBJDK-QHCPKHFHSA-N	401.441	5.859	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)nc1	609344694	OMUOHNCXXVQPOK-UHFFFAOYSA-N	418.815	5.339	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1	609505061	IACJNCUVFBRLNX-UHFFFAOYSA-N	406.432	5.691	30	20	HKED	
CCN(C)Cc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	609556057	ULMIIJUVLZSDRB-UHFFFAOYSA-N	414.509	5.124	30	20	HKED	
N#Cc1cccc(CNC(=O)CSCc2ccc(Oc3ccccc3F)c(F)c2)c1	609901864	ATYJNGRJCNWPML-UHFFFAOYSA-N	424.472	5.178	30	20	HKED	
COc1ccc(CNc2ccc(CN3CCCC[C@@H]3C)cc2)cc1OCCCC#N	610909681	HNVPTOGQSJWZHQ-FQEVSTJZSA-N	407.558	5.364	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1	612305293	YDRZJQJFVFBNCG-OAQYLSRUSA-N	417.431	5.442	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4cc3OC)n2)cc1	619756447	KJRDEQWFSCLNHS-FQEVSTJZSA-N	414.486	5.471	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccccc1F	668997060	VYFOQBIRFOLXDV-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)s1	671653463	JQVFGUVGRVKOBE-BQBZGAKWSA-N	413.305	5.406	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1Cl	677792334	CXRKRFNNIACRBM-LJQANCHMSA-N	423.859	6.042	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccn1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	683409083	FSSKNWUSCYDUCH-IUCAKERBSA-N	423.279	5.131	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3c(C)cccc3C2=O)cs1	729151127	PNQPSEFLFLQLNI-GDNBJRDFSA-N	408.910	5.612	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Br)cs1)c1nc2cc(F)ccc2s1	730695604	LUTPTIIZHLFPOF-LBPRGKRZSA-N	409.305	5.068	30	20	HKED	
N#CCc1ccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1	730971348	RMPWVFODNSHSLL-HMMYKYKNSA-N	413.864	5.046	30	20	HKED	
C#CCOc1cccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1	730975495	DUPPPBVPSFMIEO-UHFFFAOYSA-N	401.249	5.221	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	739156250	MBRDJGYNWKMJKP-CYBMUJFWSA-N	410.355	5.024	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	743226986	BYXSDTBPMWDRNJ-LJQANCHMSA-N	423.557	5.535	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NO[C@H](C)c1ncc(-c2ccccc2)o1	748100093	DEELNSZDHDDFSS-LJQANCHMSA-N	400.482	5.315	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(Cl)nc1)C(=O)c1ccccc1	748998114	KOPQFYLTXOWFCL-RCCKNPSSSA-N	418.924	5.765	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1	750393102	XZGTWUYUHJEYRH-NRFANRHFSA-N	404.853	5.402	30	20	HKED	
COc1ccc2c(c1)CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)C2	752486062	UWOAXXSPMSUJNW-ZCYQVOJMSA-N	411.505	5.030	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(SCc4ccccc4)cc3)CCO2)c1	762310883	WGRSNXZJBHKZTI-DEOSSOPVSA-N	414.530	5.064	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3cc(C)ccc3C2=O)cs1	763115570	AEKVJJKGKCXGGV-FOWTUZBSSA-N	422.481	5.324	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(C)cc1	765334066	WISBXJNIISFFCK-QGZVFWFLSA-N	417.538	5.651	30	20	HKED	
N#C[C@@H](C(=O)CCc1cncc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	765591196	RZDOCUKFNBFXHH-FQEVSTJZSA-N	417.921	5.821	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	766275810	QAJOBLCEQXFPSE-HXUWFJFHSA-N	413.502	5.220	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3c[nH]nc3-c3c(F)cccc3F)c2)s1	769394936	IGIPELFKGWGBBZ-UHFFFAOYSA-N	406.461	5.245	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1)c1ccncc1	769509540	JWGUZGXBBBVQLP-UXHICEINSA-N	403.448	5.654	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Oc1ccc(C#N)cc1F	769738726	ZRVSMVOXMXYODT-GFCCVEGCSA-N	416.861	5.233	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(NCc3cccc(OCCCC#N)c3)ccc21	770542516	BMFXJYBQBDTQPE-UHFFFAOYSA-N	407.514	5.279	30	20	HKED	
CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	772416415	HOJKCZNJPHVQJT-LOSJGSFVSA-N	413.521	5.147	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3cn(C)c4ccccc34)n2)cc1	774007124	RJNDMDGQGPEVES-DNVCBOLYSA-N	415.518	5.290	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2nc3ccc(Br)cc3s2)c1	774992421	OTKJNJULCYTLCP-OAHLLOKOSA-N	416.344	5.030	30	20	HKED	
N#CCc1ccc(COC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1	776114450	PGMGJNFNBWHPPY-UHFFFAOYSA-N	404.413	5.057	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	777004607	IXTHBYPPPOIBIT-UHFFFAOYSA-N	420.900	5.295	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1	780152631	GGHXGRPWPSJLHH-LJQANCHMSA-N	422.488	5.142	30	20	HKED	
Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(C)c1Cl	780327916	LKISUZHXZLHOLK-GOSISDBHSA-N	421.909	5.207	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1	780668017	PVEAZALSMCVFDU-LIRRHRJNSA-N	405.420	5.515	30	20	HKED	
FC(F)(F)c1cc([C@@H](NCc2cscn2)C(F)(F)F)cc(C(F)(F)F)c1	783013172	RKLOCBJYSWERSS-LLVKDONJSA-N	408.289	5.574	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1	787042815	YXCFHBDOZRXUFJ-UXHICEINSA-N	424.591	5.145	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(C(F)(F)F)nc1O	789126386	DSOCWNQEPDJUKL-FNORWQNLSA-N	410.804	5.479	30	20	HKED	
Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1	789893086	CWLOWUGURYXTTF-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)[C@H]3OCCc4sccc43)n2)cc1	796776380	WKDSPSVTVLBJTR-KPFBPEDLSA-N	424.547	5.007	30	20	HKED	
CCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)cc1	814282906	ILWWLDVIBNHYPV-HKWRFOASSA-N	407.564	5.005	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1cc(Cl)cc(Cl)c1	815909651	FHAAAOPMZKXDNU-AWEZNQCLSA-N	420.683	5.018	30	20	HKED	
N#C[C@]1(c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)CC2CCC1CC2	904495214	ONMADKQNPINBTA-DZMFODKZSA-N	409.493	5.106	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)/C=C\c2cnc3ccccc3n2)cc1Cl	916057627	UWZNIEYKBRPFSV-BUVUWQSRSA-N	424.891	5.591	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3)n2)cc1	916954560	IZYWNTZRYDAUAM-HNAYVOBHSA-N	403.507	5.285	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc4c(c3)CCC4)n2)cc1	916974379	JORKYTITECWYOU-KKSFZXQISA-N	402.519	5.251	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COc1ccc(Cl)c2ccccc12	920105658	JYQRDFPSCBUVKZ-GOSISDBHSA-N	416.864	5.254	30	20	HKED	
CC(=NNC1=NC(=O)/C(=C/c2csc(C3CC3)n2)S1)c1cccc2ccccc12	920398603	MDXWAHCQQYIMCR-WTMHETSLSA-N	418.547	5.158	30	20	HKED	
CCC(CC)(NC(=O)c1cc(C#N)c(SC)nc1O)c1ccc(Cl)c(Cl)c1	1521193973	WKZDFIPRNDOCLD-UHFFFAOYSA-N	424.353	5.133	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cn3)CCC2)cc1	1789456363	RXGPWVJKZXBPFR-FQEVSTJZSA-N	423.944	5.251	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl	1799545075	DIMNVQIIXRUUCC-BJWYYQGGSA-N	421.368	5.014	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2)n[nH]1	1816961643	AQVZZKGKIQSSCX-QZMUEMGWSA-N	420.557	5.108	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1	1823749173	DKNIHJFYFSAOGR-PMACEKPBSA-N	424.576	5.034	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)cc2C)cc1	10169013	MFMNXUWTQXBTCK-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(NC2CCCCC2)s1	23393164	ARMUIUHWJPHREG-CQSZACIVSA-N	422.645	5.040	30	20	HKED	
CCN(C(=O)c1cccc(OCc2csc(C)n2)c1)[C@H](C)c1ccc(C#N)cc1	45500501	JIBTWTVGEGDHBT-MRXNPFEDSA-N	405.523	5.126	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccccc2)cc1	48161683	FIFGMUMWTHDYAH-RUZDIDTESA-N	411.505	5.701	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl	64455835	JZSXUJJXAOWKSU-UHFFFAOYSA-N	410.804	5.706	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(OCC)cc2C(F)(F)F)cc(OC)c1OC	64849362	YTNKLDMJHKBELR-UHFFFAOYSA-N	409.404	5.102	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3ccc(F)cc3c2C)cc1	65870228	YLLQNKFWRNSHHQ-UHFFFAOYSA-N	408.498	5.415	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)sc2C)cc1	97405234	ZXFHKJUSLXBBQF-UHFFFAOYSA-N	415.565	5.365	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)Nc3cccc(OCCCC#N)c3)cs2)cc1	108298724	HYYWLWMWSIJFQW-UHFFFAOYSA-N	421.522	5.073	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(Cl)cc1Cl	112574998	DBSSFBUOBBZWNV-CYBMUJFWSA-N	408.354	5.609	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)c(F)c1	229910111	SIPACDGURBYLBN-XFXZXTDPSA-N	413.452	5.037	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(-c4cccnc4)cc3)c2)c1	237854611	UYOOJBLQZZDYHU-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1	247694075	YGASVABAERKTAX-UHFFFAOYSA-N	405.501	5.726	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(O)(c2ccccc2Cl)CC1	302858937	TZENYEJNNIWWMN-UHFFFAOYSA-N	416.283	5.040	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)N[C@@H](CCCC#N)c1ccccc1	431896242	MXDQJTJUIDOGNX-FQEVSTJZSA-N	404.539	5.353	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(-c4ccc(F)cc4)s3)cc2)nc1	432233432	UQUAKSRIRWJYBE-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2C#N)nc1-c1ccccc1	435163955	BJPHUGTWGUQSPH-HXUWFJFHSA-N	418.472	5.845	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1	436124483	IQXWGKWLMIIFSW-KRWDZBQOSA-N	423.586	5.418	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1	437314159	HDVQDDSAADMAMV-BJKOFHAPSA-N	408.457	5.169	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)s1	438039019	PBQGNECPQCBKCR-DZGCQCFKSA-N	402.589	5.633	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439367175	CWMPVRIYSNGSHF-CVDCTZTESA-N	418.541	5.176	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@H](C)c2cc(F)ccc2F)cnn1-c1cccc(C#N)c1	439671022	ZDEKXCUGBIXHLO-OAHLLOKOSA-N	423.467	5.200	30	20	HKED	
CCCc1c(NC(=O)c2c[nH]cc2-c2ccc(C)s2)cnn1-c1cccc(C#N)c1	440086123	FPUDCPACGWCULN-UHFFFAOYSA-N	415.522	5.314	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCC2CCC(C#N)CC2)cc1	440984301	KQWCUJYYZDMLNP-XEVCZEQESA-N	405.542	5.395	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCc2sccc2[C@H]1CC	460375646	MPJJATXEQOVYDV-GOSISDBHSA-N	424.570	5.017	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	463717696	WICZTTUQAMCQNH-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC(=O)Nc1cc(Cl)ccc1Cl	464819208	BAPWRRPJMHDIRF-FXAWDEMLSA-N	402.325	5.094	30	20	HKED	
CC1(C)CCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	466707542	UIRXHQBZMWJKOG-TZIWHRDSSA-N	423.944	5.019	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1	467941931	MVONIALTYLYGFL-UHFFFAOYSA-N	405.473	5.410	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2s1	469414135	NTPRMNLXTHVJAG-UHFFFAOYSA-N	421.469	5.882	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc2Cl)n1	470353863	JWDCJIJSOHMTGQ-UHFFFAOYSA-N	418.935	5.010	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C	471254661	WFDYEVOUGFCPPX-KDOFPFPSSA-N	403.404	5.464	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1	472938285	JQNYJGPQSZENII-UHFFFAOYSA-N	421.472	5.028	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	474435330	TVMPBUPJPWNROR-AWEZNQCLSA-N	407.333	5.306	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1	475545208	AMYQGQIKHIAOSR-JOCHJYFZSA-N	406.505	5.322	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C[C@@H](CC#N)c2ccccc2)cc1	476112706	RLGZDXNULFTYBG-GBXCKJPGSA-N	412.533	5.969	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(COc2ccc(Br)cc2)o1	477765637	BQRSAFMBJNMTGJ-UHFFFAOYSA-N	419.319	5.023	30	20	HKED	
C=C(C)[C@@H](NCc1csc(COc2ccc(C)cc2)n1)c1ccc(F)c(F)c1	479403004	WDVKDFGGLUSZLY-JOCHJYFZSA-N	400.494	5.716	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1	479612257	XFDXYSBQDWJRMY-SFHVURJKSA-N	405.548	5.186	30	20	HKED	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	480635836	LNRJEXJABZYXRT-NRFANRHFSA-N	423.513	5.172	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	482816411	IHRAZCOBVUNKJO-GOSISDBHSA-N	400.478	5.278	30	20	HKED	
COCc1ccsc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	485629771	KFOCLKIHCABKBJ-UHFFFAOYSA-N	400.447	5.171	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1	485754526	FOKCOXANNACBMJ-KRWDZBQOSA-N	411.571	5.329	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl	485768318	HUEJNXVOLCFAPX-UHFFFAOYSA-N	422.937	6.123	30	20	HKED	
N#CCCN(C(=O)c1cc(F)c(F)cc1Br)C12CC3CC(CC(C3)C1)C2	486587383	OFTWPOBCZDZGQG-UHFFFAOYSA-N	423.301	5.052	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)s1	487227798	HYQKQTKUAKDPKS-CHWSQXEVSA-N	417.600	5.495	30	20	HKED	
COc1ccc(NC(=O)c2ccc(C#N)s2)cc1OCc1ccc2ccccc2n1	487306573	OUXZVCCLKGOBEI-UHFFFAOYSA-N	415.474	5.008	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1	488324638	JTPMVBZTFIETLL-WDEREUQCSA-N	414.478	5.439	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)CSc2ccc(C#N)cc2)cc1	496469781	OFNFQJLAQAWLBK-VWLOTQADSA-N	415.562	5.246	30	20	HKED	
CCOCCOc1ccccc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	498386993	RLTVKGCZMMJNAS-UHFFFAOYSA-N	418.518	5.053	30	20	HKED	
CCOc1ncccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	499851585	UVLHTLHWTLRJHM-FQEVSTJZSA-N	420.900	5.111	30	20	HKED	
Cc1c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cnn1CC(C)C	500176470	JRHWFUMCPJMHAS-UHFFFAOYSA-N	408.889	5.417	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc2ccc(Cl)cc12	503011856	HHUJFKSYBPJSTO-ZDUSSCGKSA-N	400.956	6.130	30	20	HKED	
CC[C@@](C)(C#N)C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	505187129	GMGVDWZBPDXELF-DEOSSOPVSA-N	420.944	5.150	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	506698876	AUHWZRQWEMPWPV-JOCHJYFZSA-N	418.928	5.833	30	20	HKED	
N#CCCCCN[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	507469736	RNAUZVPHDMBVJI-GOSISDBHSA-N	409.839	5.322	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCc1ccc(C#N)cc1	512835312	WCYNTBWSIMOMPV-UHFFFAOYSA-N	404.441	5.378	30	20	HKED	
CCCn1c(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c2cc(OC)ccc21	513686925	IOBIXDXTTCTCPJ-QGZVFWFLSA-N	403.507	5.468	30	20	HKED	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	514820357	LOIGXLQVWXVUQM-OALUTQOASA-N	412.493	5.464	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)sc2c1CCCCCC2	515449263	SLLPTTATSUFERP-SFHVURJKSA-N	410.539	5.089	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H](C)c3ccc(C#N)cc3)s2)cc1	517418297	YMCUOEWODQIJRZ-DOTOQJQBSA-N	404.539	5.420	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1	517461063	NBZBWZMUSOQGSQ-AWEZNQCLSA-N	404.457	5.627	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2ccccc2F)c2ccccc2F)cc1	517935072	MDXREPSUPHJNOS-UHFFFAOYSA-N	408.473	5.303	30	20	HKED	
CC(=O)c1csc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	518016456	MKSCBUYMAHFNTO-UHFFFAOYSA-N	410.882	5.307	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1	518140401	NZEFLMYICWPAST-UZUQRXQVSA-N	421.591	5.318	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c1	518386305	ULPUZQNLUKZHBT-SFHVURJKSA-N	414.908	5.134	30	20	HKED	
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	518753511	QGZLUYHRLYIWBE-DLBZAZTESA-N	424.570	5.387	30	20	HKED	
CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	518987805	KJWOCGWEVVMDIZ-UHFFFAOYSA-N	423.476	5.145	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1ccc(F)cc1	519433992	JULWEVRFEHREJY-KRWDZBQOSA-N	420.509	5.909	30	20	HKED	
Cc1sc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nc1C(C)C	519742519	CJFIJWDNWOQETC-UHFFFAOYSA-N	419.550	5.401	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c(F)c2)cc1	521729100	AGRIKQRMBNIODT-KRWDZBQOSA-N	404.510	6.305	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1	521806763	LZESLPVZCGRPQW-UHFFFAOYSA-N	413.852	5.239	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Oc1ccncc1	522310732	NFDCWWLLHBOCTK-AWEZNQCLSA-N	403.507	5.493	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCC2)cc1	522972936	YQDSQPHXQWWHHS-UHFFFAOYSA-N	413.477	5.123	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cccc2cccnc12	524141108	FTMRJFQOSWKAAG-UHFFFAOYSA-N	407.473	5.175	30	20	HKED	
CCSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	524455181	JIHZFPIPSAJJHX-UHFFFAOYSA-N	406.482	5.641	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)C1CCCC1	533062438	IWPNXUBDIREAMP-KOSHJBKYSA-N	407.583	5.540	30	20	HKED	
C=C(C)COc1cc(CNc2cccc(C[S@@](=O)C(C)(C)C)c2)ccc1OC	533219360	WFWWPMISAZBTGH-MUUNZHRXSA-N	401.572	5.309	30	20	HKED	
COc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1OC	534142345	ZQOWHRHYRJXWMG-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2csc([C@@H]3CCCO3)n2)c1	535209683	GGIQBUFKJVBDQY-FQEVSTJZSA-N	423.925	5.367	30	20	HKED	
COC(=O)c1cccc(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c1C#N	535895420	XHJIZIIIEDTWLV-JOCHJYFZSA-N	408.860	5.017	30	20	HKED	
C=CCC[C@H](NCc1nc(N)c2c(C)c(C)oc2n1)c1ccc(C(F)(F)F)cc1	540432169	LZHRBHCKMYOOCX-INIZCTEOSA-N	404.436	5.238	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	540553267	ALZPMFXAFMMLRZ-CYBMUJFWSA-N	421.328	5.507	30	20	HKED	
CCCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1cccc(F)c1	543366434	NYFHZLGYZYJZLW-HXUWFJFHSA-N	405.477	5.130	30	20	HKED	
N#CCC1CCN(C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1	548655695	GFOWKUOTURARFG-UHFFFAOYSA-N	403.404	5.655	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)s2)o1	553539961	AFWRHUPMAPWFSP-UHFFFAOYSA-N	410.470	5.011	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCCc2ccccc2)CC1	561204710	MXEQDRDCXSJUAC-IBGZPJMESA-N	423.582	5.194	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)N[C@@H]2CCc3ccc(C#N)cc32)cc1OC	568524800	LFRVVAKKFKKXME-RPBOFIJWSA-N	412.533	5.445	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)c2)cc1	572745918	AGDZMUQVYTVVEQ-HSZRJFAPSA-N	415.449	5.162	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1	578769411	LCMWQZAYFVBJLK-UHFFFAOYSA-N	405.420	5.188	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3CC#N)cc12	581481218	UZDNBOOSBJXHQY-UHFFFAOYSA-N	406.898	5.367	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@](C)(C#N)C4CCCCC4)cc3)o2)c1	582076104	BRILGVKOHQOFCM-VWLOTQADSA-N	414.509	5.304	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1c1nc(Cc2nc(-c3ccc(Cl)cc3Cl)cs2)no1	582957563	XOVDXDOEKZMORC-FZKQIMNGSA-N	422.337	5.539	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F	583841712	HNMVWBVPIRKKSW-NVXWUHKLSA-N	421.488	5.624	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-n2cccn2)c1)c1nc(-c2ccc(Cl)cc2)cs1	583864219	YXHHDLAFTOJKPR-SFHVURJKSA-N	404.882	5.139	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1	588042091	YCJIPSFQBMOLHX-UHFFFAOYSA-N	422.440	5.214	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cnn1-c1ccc(F)cc1	603996811	XASHGKMXMMRMFL-UHFFFAOYSA-N	408.502	5.164	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)c1	604473772	BXZWKTHQTDCEGN-FTJBHMTQSA-N	416.496	5.286	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1	608809636	LDVWGCUXXXBOLE-FGZHOGPDSA-N	417.306	5.274	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1	609080164	VJXZKKJSPSYUAN-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
COCCOc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	609164652	TVHGHNXQABYGOT-JOCHJYFZSA-N	420.896	5.273	30	20	HKED	
CC(C)c1ccc(Sc2ccc(NC(=O)NC3CCN(CC#N)CC3)cc2)cc1	609339165	IOXDAOYLMPHPHC-UHFFFAOYSA-N	408.571	5.071	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N1CCc2ccccc21	609387106	MEBMEAPZEGNICN-AWEZNQCLSA-N	419.472	5.101	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1cc2ccccc2o1	609438068	AWEWYJMMWYGIDS-DLBZAZTESA-N	407.539	6.442	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C[C@@H]3C[C@H]4CC[C@H]3C4)cc2)nc1	609517508	RKUOVOHCXRPRFD-MQGJPIDWSA-N	401.510	5.176	30	20	HKED	
CCOC(=O)c1sc(NC(=O)[C@H](C)c2c(Cl)cccc2Cl)c(C#N)c1C	609579477	UCPMQWUKABUSMJ-SNVBAGLBSA-N	411.310	5.154	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609919446	ROMRJTOPAJVRFM-KXBFYZLASA-N	420.513	5.155	30	20	HKED	
COc1cc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F	610714942	SLLXTSDVBWRFJT-HTQZYQBOSA-N	404.282	5.064	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4F)c3C)n2)cc1	613314433	OSNKDXWSLHQWLJ-QGZVFWFLSA-N	416.481	5.242	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21	618801980	CNPVNTLEAWAZCE-YWZLYKJASA-N	402.523	5.038	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1	662025074	PLVKPVURBACSES-QZTJIDSGSA-N	420.582	5.052	30	20	HKED	
O=C(Nc1ccc2c(cnn2C(F)F)c1)N[C@H](c1cccc(F)c1F)C(F)(F)F	680221386	FRDLUMLPORKGTE-CQSZACIVSA-N	420.288	5.135	30	20	HKED	
N#CCOc1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1	731156350	PWZLBGIDUUBGIN-UHFFFAOYSA-N	410.502	5.400	30	20	HKED	
COc1cc(CNCc2cccc(OCc3ccccc3C#N)c2)ccc1OC(C)C	731360685	MZLNGLMZEQKWJM-UHFFFAOYSA-N	416.521	5.223	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2)nc1	731983089	RNLVKHFKIVNURH-UHFFFAOYSA-N	422.488	5.247	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(C(C)C)o1	733206680	GWOHESKCDKQOFO-UHFFFAOYSA-N	404.923	5.100	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CSCc2ccc(Cl)cc2Cl)c1	733772834	HTEIQQZNWMZVQI-KRWDZBQOSA-N	423.365	5.224	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	734994208	NRMQZONVRSJUAU-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc(Cl)cc1	735230795	JBNLEMMOKRXWFC-UHFFFAOYSA-N	419.337	5.466	30	20	HKED	
CC(C)(Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	735592709	CWLRLWOFXOZDPN-OAHLLOKOSA-N	402.441	5.760	30	20	HKED	
N#C[C@@H](C(=O)CC/C=C\c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	739157772	WXVMESTYYSCAFB-FAOGRTBUSA-N	400.425	5.985	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccc3)[nH]2)CSC/C1=C\c1cnc(-c2ccccc2)[nH]1	741736878	VBRNZALXUXAZKO-AYKLPDECSA-N	424.529	5.250	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)/C=C/c2cnc3ccccc3n2)c1	741970115	VBVMTECLRBOUBS-OUKQBFOZSA-N	424.891	5.401	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1cccc(C#N)c1	743133282	QPYLPMHGALKNGO-MRXNPFEDSA-N	402.523	5.065	30	20	HKED	
Cc1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2	743238124	JYTZPTLIBGTHBS-UHFFFAOYSA-N	401.441	5.388	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	743474738	LQJHBPZQMZOXGM-FQEVSTJZSA-N	424.504	5.406	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3cscn3)c2)cc1	744033252	NXBDXUXCOGMLFB-YWZLYKJASA-N	403.507	5.285	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	752806098	MMAMEUIVLKHDIH-GDBMZVCRSA-N	403.404	5.018	30	20	HKED	
C/C(=C\c1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	756508158	JTXJNSLJGKBJAL-TYZQSYOASA-N	420.868	5.406	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	763799594	DIRCLRTXGUSXRT-OAQYLSRUSA-N	417.490	5.615	30	20	HKED	
Cc1ccc(-n2c(-c3cccc(Cl)c3)nn(CN3CCC(C#N)CC3)c2=S)cc1	764946642	NHNPBPYSVWFYBF-UHFFFAOYSA-N	423.973	5.225	30	20	HKED	
N#CCCCn1cc(C(=O)Oc2ccccc2OCC(F)(F)F)c2ccccc21	774076037	IEQVUBNRTPXCQJ-UHFFFAOYSA-N	402.372	5.105	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)c1ccc(F)c(F)c1	775625006	USESIVWHVSBXPL-HXUWFJFHSA-N	417.456	5.038	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Cc1ccccc1CC#N	776899351	ATFMKNQLTWQZDU-CQSZACIVSA-N	409.942	5.258	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc2)cc1	777177788	RBTVMJKUXWAARH-QHCPKHFHSA-N	410.473	5.087	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC1(C#N)CCCC1	780531241	YIXZAZGLWILZCS-AWEZNQCLSA-N	404.919	5.244	30	20	HKED	
CO[C@@H](C)c1nc(COC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cs1	784103241	JWYLRPQTCHKXTH-HNNXBMFYSA-N	408.479	5.180	30	20	HKED	
C[C@@]12CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C[C@H]1C2(Cl)Cl	790732629	SOLHBFFGRXXYCA-IEBWSBKVSA-N	420.365	5.012	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1ccccc1	793123230	JVSDOJOZDGLZDJ-DLBZAZTESA-N	419.377	5.999	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(C#N)ccc1OC(C)C	793166778	HMOLKHLOKQPXFM-UHFFFAOYSA-N	409.486	5.253	30	20	HKED	
CCCNc1ccc(C#N)cc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1	795267201	VUBHPAVMLBLQCX-UHFFFAOYSA-N	402.285	5.349	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nc(Cc2ccc(Cl)cc2)no1	795991903	PKAQHBDPHJLDKW-MAUKXSAKSA-N	409.873	5.006	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cl)c3ncccc23)cc1	802043402	ZTHDEFROZIZCJW-IBGZPJMESA-N	405.885	5.192	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(CNc3cccc(OCCCC#N)c3)cccc2C1	864019656	MWHGOXBTEALXIP-UHFFFAOYSA-N	421.541	5.274	30	20	HKED	
CCCCSCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	915649693	FVSPFDGPVXMHCS-UHFFFAOYSA-N	413.490	5.096	30	20	HKED	
O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc(N2CCOCC2)cc1	916138553	WISPIPNJXBMCLE-PKNBQFBNSA-N	416.502	5.289	30	20	HKED	
N#C[C@@H](C(=O)c1c(Cl)nc2ccccn12)c1nc2cc(C(F)(F)F)ccc2s1	917042880	IKWFYSQNFFKWQN-JTQLQIEISA-N	420.803	5.106	30	20	HKED	
Cc1cc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1Cl	920141037	GUOZMVIKVVBLDF-RDTXWAMCSA-N	421.909	5.287	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C)c3)cc2)CCC1	1789748915	FKDUKQTZNROHKE-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3cccs3)CCC2)cc1	1791301273	YLZBDQDVMAVCFC-OAHLLOKOSA-N	418.509	5.197	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CC4)CCC3)cc2)c1	1792123406	YVBYTMOVMSJYQV-INMULRNOSA-N	413.521	5.028	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1819309695	GDUDGGWDEQCPKF-UYAOXDASSA-N	412.578	5.141	30	20	HKED	
COc1ccc(NC(=O)[C@@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)C(C)C)cc1	25036669	JHSZTLKAYGZCTJ-KRWDZBQOSA-N	423.460	5.045	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2ccccc2s1	41499693	ZMAGQCGXMSMKRP-AWEZNQCLSA-N	403.488	5.100	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC	41558958	PPRFXZJZOCVBRC-OAHLLOKOSA-N	413.424	5.109	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)C(C)C)cc1	44401952	QCSLUFLQNJATKJ-BVZFJXPGSA-N	408.590	5.373	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2o1	54735716	DIZUMOYRHSNGGK-OAHLLOKOSA-N	419.437	5.079	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1OC[C@H]1CCCCO1	57369262	JJINDXCEHFWEJW-HXUWFJFHSA-N	412.489	5.425	30	20	HKED	
FC(F)(F)c1cc(C(F)(F)F)c(I)c(C(F)(F)F)c1	101730158	DNFQKGWCWSHVED-UHFFFAOYSA-N	408.001	5.348	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	109234486	PNAMKKRGMVBOHR-CYBMUJFWSA-N	424.394	5.017	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	237510416	FSBISDIRGYMGOF-AVRWGWEMSA-N	402.563	5.797	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(O)c(Br)c2)ccc1SC(F)F	303026949	WBRQVLXZBCXPOS-GORDUTHDSA-N	415.255	5.374	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1	303377695	LUPIDDSVIXARRH-FQEVSTJZSA-N	407.514	5.472	30	20	HKED	
N#Cc1nc(Oc2cccc(CNC(=O)Nc3ccccc3)c2)ccc1C(F)(F)F	409642674	AVKXWROPMPUULQ-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
N#CCCCCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1	409714094	YWLBRJWHSJZDEK-UHFFFAOYSA-N	420.925	6.391	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1cn2c(n1)CCCC2)c1ccc(C(F)(F)F)cc1	428951630	KEPWZDWZOHFWAA-IBGZPJMESA-N	420.479	5.087	30	20	HKED	
N#CCCn1ncc(C(=O)N2CC=C(c3cccc4ccccc34)C2)c1-c1ccccc1	430283546	JYMCQZGRYKXYJX-UHFFFAOYSA-N	418.500	5.156	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	430559394	SQHKFEZGOIDWLA-UHFFFAOYSA-N	416.521	5.529	30	20	HKED	
Cc1cnc(C2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)s1	432487896	BCLAEHZBCFTPQL-UHFFFAOYSA-N	403.507	5.135	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cccc(-c3ncco3)c2C)cc1	432763343	BKSHSDHGXBVSMW-UHFFFAOYSA-N	416.481	5.108	30	20	HKED	
COc1cccc(-c2nc(CN[C@@H](CCCC#N)c3ccccc3)cs2)c1OC	433011043	MNBMUMUUCDIMSI-FQEVSTJZSA-N	407.539	5.352	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2C#N)nc1-c1ccccc1	435163954	BJPHUGTWGUQSPH-FQEVSTJZSA-N	418.472	5.845	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1	436354674	WIYKYNKHIVVVSN-HKUYNNGSSA-N	413.502	5.468	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439394129	FNWROBZVTLOYCG-VWLOTQADSA-N	424.504	5.612	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccccc1Cl	441288273	BDZGOPCFXLFVLJ-KRWDZBQOSA-N	423.881	5.394	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)o2)cc1	442674453	YHANOUDRMIGERF-MRXNPFEDSA-N	405.404	5.744	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1	464856460	MUKSGMAHLROROX-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
C=CCOc1ccc(CN(C(=O)Cc2coc(-c3ccccc3)n2)C(C)(C)C)cc1	467870834	GNZGNRKFUUZPLD-UHFFFAOYSA-N	404.510	5.276	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)ccc1F	469153297	UPFIBDGMEIVYII-UHFFFAOYSA-N	406.511	5.358	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1-n1cccn1	470591138	OYPBZRMUHYCJGO-SJORKVTESA-N	405.527	5.007	30	20	HKED	
N#CC[C@H](CC(=O)N(Cc1csc(Br)c1)C1CC1)c1ccccc1	476419083	QDIQXCDQMOGODX-MRXNPFEDSA-N	403.345	5.089	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1	476537726	BZJGNZWYODUKDJ-UHFFFAOYSA-N	422.357	5.270	30	20	HKED	
COc1ccccc1SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	479664425	IRJUWSRUKBCLHK-UHFFFAOYSA-N	404.491	5.398	30	20	HKED	
C[C@H](NCc1cc(Br)ccc1Br)c1ccc(C#N)cc1F	480668509	ITRILCHGWNQASI-JTQLQIEISA-N	412.100	5.073	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)cc(Br)c1	481713674	LKPUMQPMQPADLE-UHFFFAOYSA-N	405.340	5.145	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482456055	QWIKTUXQTLPUJH-SFHVURJKSA-N	411.374	5.062	30	20	HKED	
CN(C)c1nc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc2o1	484049646	ZASAVWJNUPHSEL-UHFFFAOYSA-N	414.490	5.169	30	20	HKED	
CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	484922466	XEQGNJRTKHBLNQ-FQEVSTJZSA-N	417.296	5.059	30	20	HKED	
C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2	485990821	RVEAFIJLFMNCIW-INIZCTEOSA-N	417.534	5.014	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1	486491445	VDXXFKBKSRBDFN-UHFFFAOYSA-N	424.547	5.018	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(C(F)(F)F)cs1	488312439	UXPJFJUDXHQDPQ-MNOVXSKESA-N	414.478	5.296	30	20	HKED	
C=CC[C@@H](C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1	488719635	XJGXHTPHXQIIEK-HSZRJFAPSA-N	402.469	5.054	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccccn1	488908836	LGIJYIUTWSEQMW-IRXDYDNUSA-N	421.570	5.159	30	20	HKED	
C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1	489488692	YTAWQKVONQRMTL-BYFYWULKSA-N	411.505	5.326	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	490723360	USOWJYGVRKXXBH-CYBMUJFWSA-N	417.899	5.460	30	20	HKED	
CC(C)n1c([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)nc2ccccc21	495489578	OUGQJZQUTIFRKZ-SFHVURJKSA-N	408.505	5.647	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	496575909	WTFMUBHLAHRDFH-SFHVURJKSA-N	410.458	5.135	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCOc1ccccc1F	500737238	HDEHPYIVUIRLDR-UHFFFAOYSA-N	404.441	5.596	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(OC(F)F)cc1	500744207	OAFRWRFIFXPLCI-UHFFFAOYSA-N	408.404	5.442	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(CCC(F)(F)F)cc2)ccc1OCC(F)(F)F	501755344	KMHDDFPRNOETTB-UHFFFAOYSA-N	416.321	5.247	30	20	HKED	
N#Cc1cccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1	502068297	YJOGVEIQLVYDCW-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2cccc(F)c2C1	503615547	SFNNUGCLUCYPGC-UHFFFAOYSA-N	401.441	5.388	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc(C)nc21	505338319	OLKRWXYOSOJEEF-SJCJKPOMSA-N	416.312	5.012	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c12	506004328	ZNNCJAMJZGUXLI-AWEZNQCLSA-N	420.494	5.505	30	20	HKED	
COc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[nH]c2ccccc12	507205272	VDHBNAKBVVXADS-UHFFFAOYSA-N	411.461	5.074	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCc4cc(F)ccc43)c2)cc1	510826551	OTCHZBIKNNEGJH-DEOSSOPVSA-N	415.468	5.280	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3cccc(Br)c3)c2)c1	510855477	WKEAKILCOUSMLN-UHFFFAOYSA-N	421.294	5.081	30	20	HKED	
C[C@@H](N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(C#N)cc1F	512633669	AOZISROBWWWZGH-WAIKUNEKSA-N	402.448	5.278	30	20	HKED	
C[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(C#N)cc1F	512662169	VYBKAPROBRSLQQ-OAHLLOKOSA-N	405.439	5.031	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cs1	513695460	FONTUGONTJSHNH-MRXNPFEDSA-N	421.572	5.844	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc21	516270120	NCTZCOWWEUNWHP-HXUWFJFHSA-N	424.529	5.783	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	517528984	DLDOLDHRUOZVOP-LPHOPBHVSA-N	423.538	5.221	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1cccnc1	520197716	MNCOWONUAWLSIW-VGSWGCGISA-N	402.523	5.387	30	20	HKED	
COc1cc(C[S@](=O)[C@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1	523009684	GKTUHBXDXUSDOR-LBEKAKSKSA-N	405.519	5.156	30	20	HKED	
Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	524131567	ZGBBRANFSNHXFS-CYBMUJFWSA-N	424.888	5.362	30	20	HKED	
CCOc1ccc(N(CC)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1	524490819	AQXGQHURSPGKHC-UHFFFAOYSA-N	400.478	5.203	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1	527335197	JUVQXQDCQNNLGB-UHFFFAOYSA-N	417.490	5.062	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1cccc(Cl)c1	533241074	MPTINIPUPNOBEY-JXFKEZNVSA-N	413.974	5.510	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CCCn2ccc3cc(Cl)ccc32)cc1	536300133	BPDSRLBSJWJEKJ-UHFFFAOYSA-N	410.905	5.021	30	20	HKED	
N#C[C@H](C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)c1ccncn1	545446162	YFXDCACRTUNCSP-HNNXBMFYSA-N	414.317	5.566	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1	549007162	QNCJCAYHPAIHCJ-SCLBCKFNSA-N	403.309	5.317	30	20	HKED	
N#CC1(N(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C2CC2)CCC1	556455116	WSNZMZRWOHXKHJ-UHFFFAOYSA-N	402.281	5.232	30	20	HKED	
CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)cc1	558055699	WVNXPFPQBQMHEW-KGLIPLIRSA-N	421.488	5.201	30	20	HKED	
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	562133169	ZHARDPYGVAMUML-QFBILLFUSA-N	424.932	5.094	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(CC#N)ccn1	567174565	FCCGMNJDNPHEEP-UHFFFAOYSA-N	415.280	5.314	30	20	HKED	
C[C@@]1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)OCCc2sccc21	570731818	UIKNXYWAIOMFKL-QHCPKHFHSA-N	419.506	5.022	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CCCCCC#N	588837288	BHWBZRGRNCHYHQ-FXAWDEMLSA-N	419.956	6.330	30	20	HKED	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589365098	PUWBVWFRQGOMNA-OAHLLOKOSA-N	402.429	5.036	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	604003571	FYTMOHRLZGMNIT-FDDCHVKYSA-N	414.505	5.619	30	20	HKED	
C=CCN(C(=O)Cc1cc2ccccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	604382498	FXTUCQBQMATZRF-UHFFFAOYSA-N	419.462	5.226	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC)c2ccc(F)cc2F)cc1	606558501	BRNPYVBTWTWSCC-NRFANRHFSA-N	413.468	5.052	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)c2ccccc2)cc1	608782333	DVPZHVDSDJLHHJ-QFIPXVFZSA-N	402.498	5.034	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	608985699	ULYUYHVVVAVNGN-UHFFFAOYSA-N	418.566	5.358	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c1C#N	609031835	XOGWAGPSYNSJBL-UHFFFAOYSA-N	405.310	5.235	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cc1	609062758	FWYBPPQXJJVSSJ-UHFFFAOYSA-N	420.394	5.227	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1	609079552	GAQRALOAADXTCS-UHFFFAOYSA-N	419.912	5.763	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(Cc3cccnc3)Cc3ccco3)c2)cc1	609125981	MVVJTRUYADYSPO-UHFFFAOYSA-N	409.445	5.181	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1	609382728	RBLSZHDVUOFZGP-SNVBAGLBSA-N	421.400	5.056	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl	609387830	JNIYKSLLGFFUQW-NWDGAFQWSA-N	409.342	5.079	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(OC(F)F)c1	609389194	CAGRBOPLAAQDMY-CQSZACIVSA-N	422.522	5.412	30	20	HKED	
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	609585178	WZNNSHXPTCTXNP-SJORKVTESA-N	423.582	5.135	30	20	HKED	
CC(C)COC1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1	609723755	ZZJKPWJUVXXTEI-UHFFFAOYSA-N	412.917	5.281	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1Cc2ccccc2C1	609725068	BRFVNRRSMBJABD-UHFFFAOYSA-N	402.881	5.243	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1	609736765	PDDXMFPLVJXYBL-BUXKBTBVSA-N	407.461	5.340	30	20	HKED	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	609822559	IJBZPHUFNBLSKE-NZQKXSOJSA-N	422.594	5.422	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1ccc(C#N)cn1	610234523	UXVFAFKPFJOVAO-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@@H](C)c1ccccc1C(F)(F)F	611237670	AUNRUPFJZOBOSR-MNOVXSKESA-N	415.242	5.806	30	20	HKED	
CCOc1ccc([C@@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1	611377438	XVEXSEOTDVQIHS-LJQANCHMSA-N	416.521	5.395	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2cccs2)cc1	612056530	QFROPBKFJXTCPM-SBUREZEXSA-N	424.591	5.342	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1	613969136	WEHLSYIYFMUGQH-HXUWFJFHSA-N	420.516	5.127	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	672681286	GTAPQNYANWHXRK-MRXNPFEDSA-N	408.468	5.332	30	20	HKED	
O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	679383707	HJZREOQYDMLVBH-PMPSAXMXSA-N	424.360	5.144	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)cc1	726940773	RJVPJPNENZTHAK-UHFFFAOYSA-N	420.944	5.249	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cnc(Cc2ccc(F)cc2)s1	727064653	CUWDMJYJGXQSMI-UHFFFAOYSA-N	416.861	5.016	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)c1	727401583	PXMWQBHYUQJJGJ-UHFFFAOYSA-N	406.507	5.232	30	20	HKED	
N#Cc1ccccc1COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	727898386	ZPJMSNGWPOYXDL-UHFFFAOYSA-N	413.408	5.135	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	729891790	MQTYJRFCVCWJSS-FVOQVABISA-N	409.436	5.498	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cccnc1Cl	730149377	WFMSCUDWRIGWBG-CMDGGOBGSA-N	419.731	5.826	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)c2ccccc21	730872635	BLBUBDVYEMEFTO-DHIUTWEWSA-N	422.484	5.238	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Cl	731062867	MNVVCJALVWSDPF-GFCCVEGCSA-N	423.321	5.041	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=S)Nc3cccc(Br)c3)cc2)c1	731317411	FHDJJARYWDNCLF-UHFFFAOYSA-N	424.323	5.922	30	20	HKED	
CCc1cccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c12	731768053	YXWYHSACXWJVLU-IBGZPJMESA-N	419.937	5.926	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c1	733805282	AAXRLKIGTLBFEQ-BEFAXECRSA-N	419.447	5.289	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1	734083386	OTQNLWJFXPHLIE-AWEZNQCLSA-N	405.426	5.307	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccncc1	734661644	OSCGYDULISNAIM-GOSISDBHSA-N	412.946	5.284	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCc2nc(-c3ccoc3)no2)c1	735165555	LPFPZNOGYPZPCX-UHFFFAOYSA-N	421.796	5.004	30	20	HKED	
O=C(/C=C\c1c(Cl)nc(Cl)n1-c1ccccc1)c1c(Cl)nc2sccn12	741843212	DIAYWYJFMVVVSJ-SREVYHEPSA-N	423.712	5.438	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2cc(C#N)ccc2F)cc1	742382059	ZVDKTMSBISHJPK-UHFFFAOYSA-N	410.496	5.207	30	20	HKED	
COc1ccccc1[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccccc1Cl	743103511	VFEKTHJXQZNGAA-JOCHJYFZSA-N	421.884	5.162	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(CCCC)Cc2ccccc2F)c1=S	746065391	FVBXVBDNNQNUBI-UHFFFAOYSA-N	411.550	5.061	30	20	HKED	
C=CCCC(=O)COC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C	761361759	IZTFPAIUDJLLST-UHFFFAOYSA-N	411.527	5.050	30	20	HKED	
CCSCc1ccnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	762376430	PYWLURNYQVBPDI-UHFFFAOYSA-N	419.575	5.751	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)cc1	766842037	PQMFXLINBJABNS-BZUAXINKSA-N	412.436	5.516	30	20	HKED	
CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2cn(CCCC#N)c3ccccc23)n1	766893330	UVWZVFCFQIFWGO-IBGZPJMESA-N	421.501	5.067	30	20	HKED	
COc1ccc(-c2nc(SCc3cccc(Cl)c3Cl)nc(O)c2C#N)cc1	772197018	BEPAOSULFXHXPZ-UHFFFAOYSA-N	418.305	5.329	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(Br)ccc2Br)cc1	772514202	QREYVLSYQPKURB-UHFFFAOYSA-N	422.120	5.081	30	20	HKED	
CCc1c([C@H](C)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)oc2ccc(C)cc12	776165942	YRHXUKGEKGRRLJ-PKOBYXMFSA-N	406.526	5.844	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2cccs2)cc1	777114686	LMMWBSMPUDCYIR-KRWDZBQOSA-N	403.551	5.421	30	20	HKED	
CC(C)N(CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)OC(C)(C)C	777296744	LBIUZIHBQJPWOU-QGZVFWFLSA-N	413.543	5.022	30	20	HKED	
CC(=O)N1C/C(=C\c2ccc(-c3nc4ccccc4s3)o2)C(=O)c2ccccc2C1	778519564	IIUICXNQRWYYKE-SFQUDFHCSA-N	414.486	5.185	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	779990925	AYJLLSBRNJPPHT-OAHLLOKOSA-N	407.401	5.429	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2)c1	780165036	PDQSPWVCWMXCEZ-UQBPGWFLSA-N	414.505	5.860	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cnc(-c3ccc(Br)cc3)s2)c(F)c1	781108208	NVLRIGIAYZQWDO-SOFGYWHQSA-N	413.271	5.479	30	20	HKED	
Cc1cc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)oc2cc1C	783077871	ZDQARHUTZIELDR-FQEVSTJZSA-N	424.456	5.803	30	20	HKED	
COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1csc(-c2cccc(OC)c2)n1	787179299	PQVIOYLZEDFRDS-VQHVLOKHSA-N	413.882	5.155	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cl)nc(Cl)c2)cc1C	787934399	GLKAQGLMTWVLGC-UHFFFAOYSA-N	414.296	5.035	30	20	HKED	
O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl	790982035	GOCUZXQKKGHXRM-NSHDSACASA-N	418.671	5.065	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nccc2ccccc12	792091135	JLVLFGRTZOPFNF-YADARESESA-N	406.485	5.469	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3csc(C)n3)cc2)cc1	799604012	RJEIICLLGPGXLA-VFNWGFHPSA-N	417.534	5.593	30	20	HKED	
N#Cc1sc(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nc1Cl	804525388	AVUPTYGEIJOKPA-UHFFFAOYSA-N	400.838	5.423	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	812986134	QIIIJSUZPZEPRK-SNVBAGLBSA-N	410.282	5.406	30	20	HKED	
N#Cc1ccc(COC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1	824923367	OWRYHBXVVXHDSH-UHFFFAOYSA-N	420.387	5.126	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1	915085566	CNYRGPIDBINTOZ-NRFANRHFSA-N	410.502	5.042	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC	915087260	REEMGBBDCWJIOC-QHCPKHFHSA-N	414.505	5.782	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(Cl)cc3Cl)c(=O)c2c1-c1ccccc1	916283566	HWCNEFXBXOQKMW-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1	916915549	FLAQDLPSKICMEQ-IBGZPJMESA-N	411.486	5.233	30	20	HKED	
CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccccc1Sc1ccccc1C#N	917767124	QIKXUPDYGGPYAC-UHFFFAOYSA-N	424.529	5.167	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccc(F)cc3)n2)cc1	920142798	SRBSEJMHOUDXCK-GOSISDBHSA-N	407.495	5.180	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(C)c3)CCC2)cc1	1785840939	PUYKCUKKVJIFNU-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccsc3)cc2)CCC1)C(F)(F)F	1786944357	WRVWCSPYMDCSGO-FPYGCLRLSA-N	420.456	5.014	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCC2)CC1	1829064391	CNJATTODPMADOM-NRFANRHFSA-N	402.623	5.179	30	20	HKED	
C[C@@H](OC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)Nc1ccccc1C#N	11397218	WZOCUKJJWDDJMH-SNVBAGLBSA-N	419.289	5.264	30	20	HKED	
COc1ccc(OC)c([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)c1	47698163	GTVVAOOQKDZLLK-SFHVURJKSA-N	402.494	5.005	30	20	HKED	
C=CCn1c(SCc2csc(Br)c2)nnc1-c1ccccc1F	195608028	NWUPSRBBPRREHW-UHFFFAOYSA-N	410.337	5.387	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc21	195743468	HZLMCZIVWGQTGI-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
COCc1nc(Oc2ccc(C#N)cc2OC)c2c(-c3ccccc3)csc2n1	301129893	XESWWKAYTDEDSI-UHFFFAOYSA-N	403.463	5.177	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	303291708	BFMXGJSVNFCYOI-SNPRPXQTSA-N	405.350	6.130	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1	426139175	MXMUNNUADOAVPH-QGZVFWFLSA-N	400.269	5.110	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2sc3ccc(C#N)cc3c2C)n1	426441088	CQRDZUMEPHQQGB-UHFFFAOYSA-N	422.897	5.274	30	20	HKED	
C[C@@H](NCc1cccc(F)c1C#N)c1nc(-c2ccc(Br)cc2)cs1	428360367	KVMAXJAIYZRNFB-GFCCVEGCSA-N	416.319	5.434	30	20	HKED	
COc1cc(Cl)c(Br)cc1C(=O)[C@H](C#N)c1nc2ccccc2s1	429109721	AUVKKBUNIHZZCE-JTQLQIEISA-N	421.703	5.211	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C	430414835	LYTFIWDZVQFETJ-UHFFFAOYSA-N	414.292	6.204	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)s1	430603622	YVKHCKUXLOENEB-IBGZPJMESA-N	401.491	5.595	30	20	HKED	
CC(C)[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cccnc1	434167400	MCEOXWJYTIBKCF-OAQYLSRUSA-N	403.457	5.054	30	20	HKED	
Cc1nc(NC(=O)c2cc(C#N)cs2)sc1-c1nc2ccccc2n1C(F)F	437358670	LUHMPYPTIUNKTL-UHFFFAOYSA-N	415.450	5.049	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1F	437463983	BHWBXXHJMUXJID-UHFFFAOYSA-N	405.410	5.458	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1	438670887	XGWHWRWEPOLSJT-IBGZPJMESA-N	422.598	5.067	30	20	HKED	
CCCc1c(NC(=O)C2(c3ccc(Cl)cc3)CC2)cnn1-c1cccc(C#N)c1	440077517	LSHVYBRXZKHERX-UHFFFAOYSA-N	404.901	5.020	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1ccc(OC)c(O)c1)c1ccc(C(F)(F)F)cc1	442287983	WONINMNSLZHIPM-SFHVURJKSA-N	422.447	5.269	30	20	HKED	
Cn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C1CC1	442673676	TYQHAXSCOVXHPW-ZDUSSCGKSA-N	417.321	5.218	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1CCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1	446589658	LSWMDOBMTWCEGA-LJQANCHMSA-N	412.537	5.212	30	20	HKED	
COCCN(C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)c1ccc(C#N)cc1	460348101	LCXKBFACJCPLNZ-CYBMUJFWSA-N	409.338	5.025	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1	462333742	KBRSZTZFNNJNGT-GFCCVEGCSA-N	401.413	5.443	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)CC(=O)c1ccccc1F	463102819	BUBDYYZORQZTFC-MRXNPFEDSA-N	417.440	5.041	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2ccccc2c1Br)c1ccccc1Cl	464410782	ZHZZESVXZXIXPL-CYBMUJFWSA-N	405.704	5.312	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464413477	WLDAQNFPTZPDOL-FQEVSTJZSA-N	422.406	5.438	30	20	HKED	
Cc1nc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)sc1SCC#N	466461249	QQKPAWUTZGZYIG-UHFFFAOYSA-N	400.916	5.035	30	20	HKED	
CCCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CCCc2cccnc21	469819407	MUPZLPYKYVHBOI-HSZRJFAPSA-N	400.526	5.270	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)n1	470271783	WXUXEPMVSXCWDP-IFMALSPDSA-N	400.482	5.262	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(-c2ccncc2)cc1	472751539	LEFZSBGVJUAXSB-MSOLQXFVSA-N	416.550	5.883	30	20	HKED	
O=C(Cc1c(F)cccc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474263538	GWGXACHNLVEOKT-HNNXBMFYSA-N	411.292	5.336	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)n1	474444589	IBOSJJZWRHSFDF-SFHVURJKSA-N	404.495	5.401	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1	474955547	QUNXVEKVRFBWKJ-QGZVFWFLSA-N	408.395	5.130	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1ccccc1	475764253	ZLANTIHFLGPOEI-KRWDZBQOSA-N	418.884	5.013	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCc4c(O)cccc43)c2)cc1	476063431	UKPHVAOEPRFARX-XMMPIXPASA-N	412.489	5.096	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)C[C@H](CC#N)c2ccccc2)C3)cs1	476602580	LHQXGALGKOEAPH-KRWDZBQOSA-N	407.564	5.152	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3c(F)cccc3NC3CC3)c2)c1	479186692	JBTZRSXNQIBVKL-UHFFFAOYSA-N	401.441	5.103	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2F)n1	483250521	CSZKXBQYKVVSDN-OAHLLOKOSA-N	424.888	5.381	30	20	HKED	
CC(C)CCn1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	483763109	RCSVTMCLMQFJMN-UHFFFAOYSA-N	419.504	5.174	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N(CC(F)(F)F)C3CCCC3)c2)cc1	485216032	YIJAUSUDJSXINM-UHFFFAOYSA-N	402.416	5.084	30	20	HKED	
C=C(C)[C@@H](NCc1nc2ccc(Br)cc2n1C)c1ccc(F)c(F)c1	485824828	CZEAPKQXKSADAA-LJQANCHMSA-N	406.274	5.021	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc2ccccc2n1)c1ccc(OCc2ccccc2)cc1	486074607	CJKKUQLJMIFPKH-AREMUKBSSA-N	421.500	5.127	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CCCc3c[nH]c4ccccc34)s2)cc1	487422415	YBQCLUUYFGDGRM-UHFFFAOYSA-N	400.507	5.048	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccccc2)n1Cc1ccco1	488022405	GMLDEPGLVYAUDU-UHFFFAOYSA-N	414.534	5.680	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3Cl)o2)cc1	489793420	UTRMJJFHOYPXOT-CYBMUJFWSA-N	415.902	5.074	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(Br)c1F	490484976	QQYGHKXETHVZLI-UHFFFAOYSA-N	408.246	5.043	30	20	HKED	
Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	491575639	RSVCEWZXQWZFEM-AVRDEDQJSA-N	423.582	5.184	30	20	HKED	
COc1cccc(CS[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	494125756	GBGFAGAJKQYFAS-AWEZNQCLSA-N	400.569	5.158	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2cc(C(F)F)ccc2Cl)cc(OC)c1OC	497260111	HYXKQGFJYOBWRS-UHFFFAOYSA-N	410.848	5.345	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)cc4cccnc34)cc2F)c1	502850943	BTMIZLWWAFXWDW-UHFFFAOYSA-N	415.399	5.216	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ncc(-c4ccccc4)s3)n2)cc1	505468406	UDRZQOJHESRWPJ-KRWDZBQOSA-N	416.531	5.488	30	20	HKED	
CC1(C#N)CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1	507830932	SHISFYNYJGYCKG-UHFFFAOYSA-N	416.308	5.012	30	20	HKED	
CCN(CC#N)C(=O)c1cc(/C=C\c2ccc(C)o2)nc2ccc(Br)cc12	509216304	CGLFBPIBNOXQLP-VURMDHGXSA-N	424.298	5.055	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@H](n2ncc3ccccc32)C1	510930354	OLVYCETYDUDGKG-FQEVSTJZSA-N	424.529	5.146	30	20	HKED	
N#CCCCOc1cccc(NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1	512136350	QQXRIBFQBGCDCH-UHFFFAOYSA-N	400.404	5.186	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCCN(C2CCC2)C1	512913692	WXAWNJAXBQMVEI-QUCCMNQESA-N	418.541	5.125	30	20	HKED	
N#CCCCn1cc(-c2nc(CCCOc3ccc(F)cc3)no2)c2ccccc21	514690528	FLXBOXQHAXHJTF-UHFFFAOYSA-N	404.445	5.146	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	517801175	ZHHKSOCGBMVHCU-AWEZNQCLSA-N	403.816	5.362	30	20	HKED	
CCCCCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	518754109	DEHFWXMAZDYGRT-SFHVURJKSA-N	413.562	6.444	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2o1	520123752	VECNYQRQLGMVLS-LLVKDONJSA-N	414.273	5.748	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	520524549	TXYBOACYSCYBFJ-UHFFFAOYSA-N	419.447	5.685	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1	521209290	ZRSDVGDNUMLAIL-QFIPXVFZSA-N	421.541	5.196	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCc3cc(F)c(F)cc32)c1	522572364	RJJYLALUNHZPPP-UHFFFAOYSA-N	410.807	5.485	30	20	HKED	
CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(Cl)c1	522599516	GXRYZGJRVNBRDV-UHFFFAOYSA-N	408.885	5.091	30	20	HKED	
COC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1	523880490	GJQCJLCEQVJFGU-UHFFFAOYSA-N	412.854	5.104	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccc(C#N)o1	537313382	DCIYBBKBHJFXRV-NSHDSACASA-N	402.317	5.197	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1	539050559	MBXNTHDOYLEVNK-YWZLYKJASA-N	401.436	5.039	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)s1	541109168	CQTNKDJRXYIDAK-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(NS(C)(=O)=O)cc1	542107511	UTIHALBTSLHIFG-ROUUACIJSA-N	419.550	5.009	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	543943976	VJHNQRLZKMVCLW-MBSDFSHPSA-N	403.526	5.077	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@H]1c1cc[nH]n1	554158698	CFPQUIBJNYIUHH-QFIPXVFZSA-N	401.470	5.141	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1	554941833	AJCHFONZDUHOKA-HNNXBMFYSA-N	403.507	5.263	30	20	HKED	
CC(C)CNC(=O)c1ccc(NCc2cccn2Cc2ccccc2C#N)cc1Cl	556338136	VPCKGWLCGZIHGI-UHFFFAOYSA-N	420.944	5.059	30	20	HKED	
CC(C)C(=O)Nc1cccc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)c1	558304963	UQOXPFSYQNNQBG-UHFFFAOYSA-N	413.481	5.257	30	20	HKED	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	558713950	DLSFUJOUACSRFB-VLIAUNLRSA-N	406.917	5.468	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccccc1	560128734	REVNZPIOQLDIMS-KRWDZBQOSA-N	416.493	5.079	30	20	HKED	
N#Cc1ccc2ncc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2c1	560255990	ASZNFDSIHDWYHQ-MRXNPFEDSA-N	412.337	5.008	30	20	HKED	
Cc1sc(C2(NC(=O)Cc3c(F)cccc3C#N)CCC2)nc1-c1ccccc1F	565620374	JQLZMHWENWMXOH-UHFFFAOYSA-N	423.488	5.007	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@](C)(OC)CC1	566397854	LGYKQFOMQZCNAL-CLOONOSVSA-N	420.557	5.153	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C	570340415	OFEOTANCLNKGME-UHFFFAOYSA-N	416.930	5.076	30	20	HKED	
CC(C)c1ccccc1OCCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	574086165	LGNFBPZDGHAFHV-UHFFFAOYSA-N	416.481	5.069	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	582213453	IVOUTCMAKJJJCO-UHFFFAOYSA-N	409.898	5.763	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1	589800773	UYGWPFMGWMAXAL-AWEZNQCLSA-N	421.324	5.106	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(Oc2ccccc2OC)cc1	600885022	KBXFCQCOQSXEFD-UHFFFAOYSA-N	408.523	5.447	30	20	HKED	
C=CC1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1	601094494	GVYXAMFFSCHNPB-UHFFFAOYSA-N	417.431	5.388	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1coc(Br)c1	603533941	LRPWTHYMOCFZEF-UHFFFAOYSA-N	413.246	5.208	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)CC1	605942739	QKUZZBQBBKBHGK-UHFFFAOYSA-N	417.509	5.135	30	20	HKED	
CCOc1ccc(OC)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609299274	BXQBKWCWOSSPDH-UHFFFAOYSA-N	406.413	5.149	30	20	HKED	
C=CCN(C(=O)c1ccc(C#N)cn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	609342511	GUSNNFHFVRJJFP-UHFFFAOYSA-N	422.513	5.577	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C	609378925	JIXUVWILCPQOMH-UHFFFAOYSA-N	414.474	5.129	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccco3)C2)cc1Cl	609553631	FEZXFWCGQZNFFO-XLIONFOSSA-N	405.885	5.610	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C	610053840	YRXGHHOPGJLQHO-RTBURBONSA-N	424.426	5.122	30	20	HKED	
N#Cc1cc(NCc2ccc(Cl)o2)cc(NCc2ccc(Cl)o2)c1[N+](=O)[O-]	610245521	MHQWTSIUPMYJCW-UHFFFAOYSA-N	407.213	5.183	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610321043	DVGHMLIRTIAAIQ-AOMKIAJQSA-N	416.456	5.500	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1cccc(C#N)c1	610321896	OLJRNDUDRUHHPS-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@@H](C)c5cccc(C#N)c5)(C4)C2)C3)cc1	610363066	CIGCFSPGQBZNIU-FUYJZFRPSA-N	414.549	5.282	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cn2)c1	610629316	BAWYBBURFJUCFR-XZOQPEGZSA-N	423.476	5.049	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)n[nH]1	611507957	DXSPKUUDYFEVGJ-UHFFFAOYSA-N	410.433	5.002	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1[C@H](C)C1CC1	679092707	YHMUPMCZWXNNHW-RISCZKNCSA-N	418.444	5.281	30	20	HKED	
COCc1cc(=NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2cc(F)ccc2[nH]1	685903872	HMBIXBLYNJXAMH-QWRGUYRKSA-N	424.360	5.264	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1OC	729434921	SSQOXHBQRMPKRX-FQEVSTJZSA-N	422.868	5.144	30	20	HKED	
Cc1cccc2c1CCN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)C2	729561200	WMHRJGSWXOEFOZ-UHFFFAOYSA-N	411.505	5.230	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1	729949374	GDTYDSRLWZBLSD-UHFFFAOYSA-N	400.331	5.357	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1	730686005	LFQGPGLKDRQXBO-BEFAXECRSA-N	400.862	5.241	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)ccc2c1	731644815	CLJPYJQHEMVXIU-VMLCMGRWSA-N	410.395	5.261	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)c1	733807556	VXLGJKITMPJFJO-IBGZPJMESA-N	419.447	5.118	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)O[C@@H](C)COc3cccc(C#N)c3)cs2)cc1	733860909	ISDASUWSMFBODZ-INIZCTEOSA-N	422.506	5.093	30	20	HKED	
COC(=O)[C@@H](N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1)c1ccc(C#N)cc1	739993435	BZSJVCMTGOWVBJ-CLOONOSVSA-N	414.505	5.011	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4ccc(Cl)cc34)n2)cc1	740536456	TXJWXFZLKNGYTC-SFHVURJKSA-N	405.910	5.672	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](CC(C)C)c3ccccc3)n2)cc1	741113350	QDONDUUOKPDKRD-LEWJYISDSA-N	404.535	5.825	30	20	HKED	
O=C(/C=C\c1csc2ccccc12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741845253	YUVPVYXSENEEPA-YFHOEESVSA-N	410.438	5.133	30	20	HKED	
Cc1cc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)ccc1-n1cncn1	742433822	AULPIUNSIMGXMC-LFIBNONCSA-N	416.481	5.051	30	20	HKED	
FC(F)(F)c1ccc2sc(NN=Cc3ccc(Oc4cnccn4)cc3)nc2c1	743445043	AZDMJWLFPCBHME-UHFFFAOYSA-N	415.400	5.343	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	744027622	AEBJGKRPJKIHJY-ZNMIVQPWSA-N	407.684	5.098	30	20	HKED	
N#C[C@H](C(=O)c1scnc1Cl)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	744938710	MKTGTWHNGHAIKL-VCCACMNCSA-N	403.960	5.211	30	20	HKED	
O=C(OCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	748136564	PKLBWFFREFTMCR-KTHBZUIVSA-N	412.292	5.214	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1	748620643	SLOGRHRIXHHEKJ-UTKZUKDTSA-N	422.529	5.439	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(C#N)cc1	748679991	MXMNVPOYZZIICJ-CYBMUJFWSA-N	410.882	5.443	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2nc(-c3ccccc3)cs2)cc1C	754764493	IMPXLQMIQOANJN-IBGZPJMESA-N	418.566	5.024	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	754907361	YSSWNCJXOAACTP-SECBINFHSA-N	422.655	5.486	30	20	HKED	
CC(C)(C)N(N=Cc1cnc([C@H]2CCCO2)s1)C(=S)Nc1cccc(Cl)c1	755665677	YJZBLSLKJJQOID-MRXNPFEDSA-N	423.007	5.479	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N	758121858	KGVBSKKHZLBLIE-AWEZNQCLSA-N	418.415	5.193	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1Br)c1ccc(Cl)c(Cl)c1	760559222	CJRBRMQPXMQUES-AWEZNQCLSA-N	418.505	5.404	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)cc(Cl)n1	762449043	MPTLZJTXKAPMKP-UHFFFAOYSA-N	420.243	5.665	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1cc(Br)ccc1F	763121049	CNEZCIGYRPMTNT-FPYGCLRLSA-N	412.258	5.458	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1ccc(Br)cc1Cl	765614029	PPSFRWOBJNCPAO-RQOWECAXSA-N	405.704	5.517	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(C)cc2O[C@H]2CCOC2)cc1	766581624	LQJWYVGYMKTBSF-AVRDEDQJSA-N	401.934	5.145	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](Nc2snc(Cl)c2C#N)CCC3)cc1	771206147	SGAHUAUPAAXPIS-AWEZNQCLSA-N	402.932	5.290	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C	771534450	VRRTWXFERMZSPF-UHFFFAOYSA-N	420.557	5.263	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1	772982370	GNTMGFYNNHIUMC-QRWLVFNGSA-N	409.530	5.789	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc([C@@H]4CCCOC4)cc3)c2)s1	779918706	XOLOIMSOQZISRE-OAQYLSRUSA-N	402.519	5.111	30	20	HKED	
CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	785571859	BTCWHPZYAFKIDV-UHFFFAOYSA-N	414.534	5.500	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787046822	SVNFMQWYFOYDLO-CAPXZKIUSA-N	421.349	5.053	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1	796818357	TUUKMNPVVGHAOV-RXVVDRJESA-N	404.432	5.507	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)c1nccc2ccccc12	796899745	KSULFQUDXIHMDX-HXUWFJFHSA-N	401.466	5.380	30	20	HKED	
Cc1ccc(C(=O)N2CCCc3c(NC(=O)OC(C)(C)C)ccc(C)c32)cc1C#N	799364833	NXGAWCRQAIUYQC-UHFFFAOYSA-N	405.498	5.115	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCc3c2[nH]c2ccc(C)cc32)ccc1OC	808705265	CDUFIHVTCOEHFW-GCJKJVERSA-N	403.526	5.333	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cc2)ccn1	810821466	JBTGAZIMTYFZQC-UHFFFAOYSA-N	419.531	5.476	30	20	HKED	
CCCCCCCCOCc1cccc(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1	814622460	NCMHCEWLKSUECO-XMMPIXPASA-N	401.595	5.123	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2cccc(Br)c2)cc1	914773808	YBRPQFQTAXNQBK-UHFFFAOYSA-N	403.324	5.159	30	20	HKED	
N#C[C@H](C(=O)Cc1c(F)cccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1	915103653	AGKMAJLAYKTDMD-LLVKDONJSA-N	412.795	5.527	30	20	HKED	
O=C(CSCc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1C(F)(F)F	916086900	FVNLJPXBBUHBBS-UHFFFAOYSA-N	415.305	5.273	30	20	HKED	
Cc1ccc(C(C)C)cc1OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1	916855040	SOCIXGKOSMKZHU-UHFFFAOYSA-N	419.481	5.060	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3ccc(F)cc3C2=O)cs1	917560709	WOWVQRANBXQETK-WJDWOHSUSA-N	422.481	5.324	30	20	HKED	
C=CCN(C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)C(C)C	918083300	VREGDKVFUYMGGL-IBGZPJMESA-N	405.311	5.284	30	20	HKED	
O=C1/C(=C\c2ccccc2OCc2ccccn2)COc2c(Br)cccc21	920067477	ZXESPTPMMBFQDK-VBKFSLOCSA-N	422.278	5.082	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3ccc4ccc(Cl)cc43)n2)cc1	920110551	NYKASRXJGGVVSP-GOSISDBHSA-N	405.910	5.603	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(F)cc4F)CCC3)cc2)C1	1785804774	TXDLRBPYCFXTOZ-ONNFQVAWSA-N	422.475	5.078	30	20	HKED	
CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1ccc(F)cc1	1787889289	BMXLEECOLYHOTL-QHCPKHFHSA-N	421.516	5.003	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1	1789626319	TUZXPEJHMGRGLF-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831376560	QMXQSDQCEVPAFC-BAMDZGJYSA-N	402.623	5.035	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cc(C)ccc1C	22729633	QGVCHGMODLOFCV-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCOC(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	26194923	OXGSQHWOOIPKPR-UHFFFAOYSA-N	402.475	5.138	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1NC(=O)c1ccccc1	41498297	CHVSBINSIZRTQW-SFHVURJKSA-N	411.486	5.347	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1	57396309	OZHLMXNJDULVJY-UHFFFAOYSA-N	417.943	5.389	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl	60912337	BWVNRDKPGZOYKP-UHFFFAOYSA-N	400.787	6.150	30	20	HKED	
C=CCN(C(=O)Cc1ccc(OC(F)F)cc1)c1nc(-c2ccccc2)cs1	60952284	YZBWNYZJEALOSV-UHFFFAOYSA-N	400.450	5.173	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	62905258	OJFJVFFFXOUPHF-UHFFFAOYSA-N	405.885	5.014	30	20	HKED	
C=CCN(C(=O)c1ccc(Br)c(F)c1)c1nc(-c2ccccc2)cs1	64645383	APBBCJJDBYVDJM-UHFFFAOYSA-N	417.303	5.545	30	20	HKED	
COc1ccc(SCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	72025310	LCORNIRPRWOHSF-UHFFFAOYSA-N	418.518	5.789	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1	72074628	CZVUKQRNGDDZEO-CQSZACIVSA-N	423.419	5.076	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCOc2ccc(Cl)cc2Br)cc1	195714887	DBMSSAFENPMVJH-UHFFFAOYSA-N	421.722	5.311	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc(NC(=O)c2ccncc2)cc1	301426208	UGHXAKLAPXYDNW-UHFFFAOYSA-N	413.868	5.019	30	20	HKED	
N#CCCN(Cc1csc(-c2ccc(Br)cc2)n1)Cc1ccco1	302832206	GSLBROQAEZTVTL-UHFFFAOYSA-N	402.317	5.081	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1	303458817	NLAHSPAJXCGMCL-UHFFFAOYSA-N	418.581	5.287	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3csc(-c4ccoc4)n3)c2)c1	409497334	DEFQUMIZSQXPTF-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2cccc(COCc3ccccc3)c2)c(Cl)c1	426139245	NPRGKQDYPHMMTH-UHFFFAOYSA-N	405.885	5.250	30	20	HKED	
Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	428255991	IFSXVMPDRDSJQZ-UHFFFAOYSA-N	423.929	5.313	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	430336199	IYQRYGOJDUDNCG-UHFFFAOYSA-N	414.292	6.010	30	20	HKED	
N#Cc1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c(Cl)c1	430368212	WLVPZTQSLGPHNG-UHFFFAOYSA-N	402.306	5.094	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccccc1	431314401	SVCXDAIBVUMPAH-DFQSSKMNSA-N	412.331	5.039	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1OCCc2sccc21	432896554	HQIFJIATTLOUBB-QRQCRPRQSA-N	404.491	5.301	30	20	HKED	
C=CCC(C)(C)CNC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1	433023168	ZWYYBWNPUHTXNR-UHFFFAOYSA-N	405.951	5.055	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cc(F)cc(F)c1	434162027	IPDKRZXEEXIYEW-UHFFFAOYSA-N	407.420	5.601	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12	436204029	AABOTQPTDAVPSN-INIZCTEOSA-N	402.523	5.388	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	438673174	SSGVTFNYRYJHBO-LJQANCHMSA-N	421.497	6.229	30	20	HKED	
Cc1cccc(NC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)c1C#N	440911180	LLEBWFXLADDWSJ-UHFFFAOYSA-N	407.539	5.010	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1	442555327	VODGWUHADJXITO-HNNXBMFYSA-N	415.430	5.377	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1nc2ccccc2o1	442670481	DFUVKZNUYHDXMW-SFHVURJKSA-N	424.391	5.174	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc(C(F)(F)F)c1F	443533760	PWJFMBGXHHASDS-NSHDSACASA-N	411.305	5.388	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	446224017	DAEJEJGGMCRYEO-HXUWFJFHSA-N	419.447	5.430	30	20	HKED	
CC[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1	447529013	KOLAGPPRRHAXHT-LJQANCHMSA-N	401.457	5.941	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c1	461891020	UFTZXJCGORXMSW-UHFFFAOYSA-N	424.913	5.216	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3)s2)nnc1-c1ccc(F)cc1	463773679	HCGHQLVKKRKCLU-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1C	463857529	RPMVINDKKORYMS-ZDUSSCGKSA-N	413.308	5.410	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	467864895	CRSJPGDGGGKZSJ-WYUUTHIRSA-N	421.259	5.019	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](OCc2ccccc2F)C1	470135780	VSOSAHNNZWJRQJ-NRFANRHFSA-N	410.533	5.891	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1	471170139	SVCCMXZPFSLQHR-UHFFFAOYSA-N	416.319	5.181	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	471977382	LUEXWXFJOMZJGB-YOEHRIQHSA-N	419.472	5.317	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F	475556680	WLBROCYXWOLFQA-HNNXBMFYSA-N	400.494	5.578	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1csc2ccccc12	475873664	LNJFJHIHIDAYIO-UHFFFAOYSA-N	421.547	5.233	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc4c(s3)CCOC4)c2C#N)C1	481970048	XLZKCIUHJHRJIS-ZDUSSCGKSA-N	400.569	5.157	30	20	HKED	
CN(C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC1	482343909	IOKMIQDWTPSWLB-NSHDSACASA-N	408.264	5.131	30	20	HKED	
O=C(N[C@H]1CCCC(F)(F)C1)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F	482361750	DRCHARCJSDPRGH-JQWIXIFHSA-N	420.300	5.066	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(s2)CCOC3)cc1Cl	482815860	YDJJZHJDMXHPQP-GOSISDBHSA-N	408.910	5.382	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)CSCc3cccc(Cl)c3)s2)cc1	487349793	DDKKNTFLUVUTNA-UHFFFAOYSA-N	413.955	5.131	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)N[C@H](CCCC#N)c2ccccc2)c(Br)c1	487372806	OUUDEEFTHUSBAP-QFBILLFUSA-N	415.331	5.076	30	20	HKED	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1C(C)(C)C#N	487415434	YVBITYCBEVMICX-UHFFFAOYSA-N	404.341	5.255	30	20	HKED	
COC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	488313105	ARBLDZAVYZHTDO-KDOFPFPSSA-N	403.935	5.243	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1	494139220	AGYIFIWIFDDGAY-UHFFFAOYSA-N	414.358	5.644	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl	497482255	XOWXYTOYUPLQAV-LJQANCHMSA-N	421.372	5.546	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCC3CC3)cc2)cc1C	498629080	YRJRLEALKCHBGL-UHFFFAOYSA-N	414.509	5.122	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1cnc2ccccc2n1	498980937	UXBUAJHCVZUAHQ-OAHLLOKOSA-N	407.351	5.399	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2	500037668	UOCPSIUSZRGDAN-GWKODMSMSA-N	415.537	5.345	30	20	HKED	
C[C@H](CNCc1cn(CCC#N)nc1-c1ccccc1)c1c(Cl)cccc1Cl	500138002	BDNRNLVEOWMPQE-MRXNPFEDSA-N	413.352	5.664	30	20	HKED	
N#CCCn1cc(CNc2ccc(COc3ccccc3)cc2)c(-c2ccccc2)n1	500787680	WYGONGUYKDHLNK-UHFFFAOYSA-N	408.505	5.655	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1	501618154	ATOUZMYZHRIGMK-UHFFFAOYSA-N	415.990	5.156	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(OCc2ccccn2)cc1	502049554	IPACRBIJWAPJFS-GOSISDBHSA-N	417.534	5.094	30	20	HKED	
CCCCN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1	502217826	UPGONHAPEHVEMV-UHFFFAOYSA-N	406.530	5.045	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1)c1ccccc1	502424459	KZRXRHFYMGLQJL-HNNXBMFYSA-N	422.435	5.977	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	504769024	MXHKVBGMAVXPOH-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCOCc2ccccc2)cc1	505708714	DXCRRWZOSDVXID-UHFFFAOYSA-N	416.477	5.295	30	20	HKED	
N#C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1	505966794	VRLDISLVCLCRON-NRFANRHFSA-N	424.422	5.192	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1Cl	510058063	UQZNILVXINMWTJ-HRAATJIYSA-N	409.917	5.028	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1	510690276	HDIBXBWYTQXCFF-UHFFFAOYSA-N	419.369	5.396	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F	511992606	UYNPEQDBJXSDHE-ICSRJNTNSA-N	401.432	5.055	30	20	HKED	
C[C@@H]1CCCCN1CCCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	516397512	DBHHBLSZQBWQDS-HXUWFJFHSA-N	421.610	5.235	30	20	HKED	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	516509208	JHSWMALNRYQLPQ-LJQANCHMSA-N	423.904	5.021	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N1CCc2ccccc2C1	517530575	XPROIQGHPDTYOM-GHTZIAJQSA-N	422.598	5.039	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1-c1ccccc1	518168915	NVUNAHMWOSGDMA-IBGZPJMESA-N	415.562	6.269	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccccc1-c1cccs1)c1ccccc1	521000255	PMWLOVSULRDYIQ-UHFFFAOYSA-N	403.507	5.081	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCOc1ccc(C(F)(F)F)cc1	524565041	DXSCGLSCCIYEAA-AWEZNQCLSA-N	423.460	5.158	30	20	HKED	
Cc1ccc2cccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2n1	525457761	CDEVBGOOGLWBEM-UHFFFAOYSA-N	407.473	5.441	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OCC)n2)nnc1-c1ccc(F)cc1	525623443	DOFJXXIEXUYJHN-ZDUSSCGKSA-N	404.536	5.117	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1	534910914	FTRATYLUJBONMZ-WOJBJXKFSA-N	410.517	5.502	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cnc([C@@H]4CCCO4)s3)c2C#N)C1	535476963	YVHMJNFLSAPAOM-WFASDCNBSA-N	415.584	5.331	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N	536737615	OITDXJFRMPIEKL-SXGZJXTBSA-N	401.507	5.118	30	20	HKED	
Cc1cc([C@@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)ccc1F	538324564	XLCVJZSGVPDYLT-MWTRTKDXSA-N	411.546	5.208	30	20	HKED	
N#CCC1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1	541036605	YTBQCMPSIWUQQU-FQEVSTJZSA-N	402.325	5.418	30	20	HKED	
N#CCCC[C@@H](NCc1ncc(Br)cc1Br)c1ccccc1	552083214	WQZCIIIMVKIVFD-MRXNPFEDSA-N	423.152	5.131	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cnc(-c2ccsc2)s1	554395435	QLDFNWJGYILUFI-UHFFFAOYSA-N	401.516	5.590	30	20	HKED	
Cc1cccc(CCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	558288017	KKYXGDPEYHRGLW-JOCHJYFZSA-N	418.928	5.453	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)NC1(c2cccc(C(F)(F)F)c2)CC1	560165362	HAIKBCGCZYAAJO-UHFFFAOYSA-N	406.301	5.674	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@H](c3cccc(OC(F)(F)F)c3)C3CC3)cc2)CC1	561128394	DFGIQCCBTHPZJH-IBGZPJMESA-N	400.400	5.021	30	20	HKED	
CC(=O)N(c1nc(CSc2cccc(F)c2C#N)cs1)c1ccc(C)cc1C	563932150	LVLQVFPHUDSDRS-UHFFFAOYSA-N	411.527	5.748	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(OC(F)F)c(F)c2)c1	574772725	BJSWJXUBAVGMNL-UHFFFAOYSA-N	412.411	5.168	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1	576900811	WBIDVLGUAOTVEU-UHFFFAOYSA-N	421.953	5.463	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc3c2OCCO3)c1	579278208	JMJISWWMTHBALW-UHFFFAOYSA-N	406.825	5.027	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(Cl)c1	588228746	YQQFKKCYCQGITC-UHFFFAOYSA-N	401.869	5.043	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3cnn(Cc4ccccc4Cl)c3)cc2)ccn1	589324418	JUCPCEIMNLNVEF-UHFFFAOYSA-N	415.884	5.256	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3c(C)noc3n2)cc1	590781652	MIUFKHXWUWMAQM-UHFFFAOYSA-N	414.490	5.181	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690089	HWVUECNIYJLDKO-LJQANCHMSA-N	404.495	5.348	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H](C(=O)O)c3ccccc3)cc2Cl)cc1	603954006	UMEZQWOXJKEMKI-LJQANCHMSA-N	420.852	5.201	30	20	HKED	
N#CCCCOc1cccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c1	608860489	QNDOXFKPQMQBSC-VWLOTQADSA-N	411.505	5.178	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	609377242	SCZJZVCKMNDWIX-HNNXBMFYSA-N	408.548	5.928	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)c2)c1	609642150	YVCKCNWBQDGHCU-UHFFFAOYSA-N	409.445	5.408	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(CSC2CCOCC2)c1	609715324	XKTCVVNUDCBIGR-UHFFFAOYSA-N	410.583	5.361	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3ccc(F)cc3)C3CC3)cn2)c1	609743752	JTDSNYVDTZJIDR-UHFFFAOYSA-N	416.456	5.124	30	20	HKED	
COc1cccc(C[C@@]2(C(=O)Nc3cccc(OCCCC#N)c3)C[C@H]3CC[C@H]2C3)c1	609784359	RNJVFONMNJNOCI-ISJBWFOZSA-N	418.537	5.365	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccccc2)on1	609900387	AMQOKBWHPUFJHB-MRXNPFEDSA-N	423.563	5.465	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)c1c(Cl)cccc1Cl	609911689	MUGTZKIEICVSGQ-OAHLLOKOSA-N	404.278	5.237	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610015719	QNPOXCYQQHULEW-GGAORHGYSA-N	418.928	6.005	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)cc1Cl	610106885	JWDZUNJPHUJYTE-SIKLNZKXSA-N	406.844	5.077	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1	610225151	OSVXANOKDUVUQU-UHFFFAOYSA-N	414.937	5.395	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c2ccc(Br)cc2n1	614381401	KYZUKWZXKCTFHX-HNNXBMFYSA-N	422.307	5.406	30	20	HKED	
C[C@H](c1ccc(Br)cc1)c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1	615133043	IMLODTJVINRYPV-AUUYWEPGSA-N	423.314	5.197	30	20	HKED	
COc1cccc(CCC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1F	622485726	WLEFQFNOCZVNLK-KRWDZBQOSA-N	423.328	5.206	30	20	HKED	
CN(C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC(F)(F)CC1	622601766	OBYWZRPEAAMEGI-UHFFFAOYSA-N	419.312	5.139	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccccc1Cl	678970357	QTTLGSVSYMAUOP-ZDUSSCGKSA-N	410.861	5.073	30	20	HKED	
COCc1cc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cc(F)ccc2n1	685904656	FIWPOPBOENEMAV-GHMZBOCLSA-N	410.333	5.087	30	20	HKED	
Cc1ccccc1CN(Cc1ccccc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726485523	ZTMMOFSXZUPCOM-UHFFFAOYSA-N	405.954	5.919	30	20	HKED	
CCOCCOc1c(Cl)cccc1NC(=S)Nc1ccc(C#N)c(Cl)c1	726486065	ZGGJTIIPMCUAHE-UHFFFAOYSA-N	410.326	5.089	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc(Cl)c1O	727267821	SIAPTZSVBDBDAL-FPYGCLRLSA-N	403.862	5.521	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1Cl	727628061	RTJAVFTXEDFDAY-KOTGUFOOSA-N	407.684	5.398	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1cnc2ccccc2n1	727996212	HBARELFNQJZXAU-FMIVXFBMSA-N	420.472	5.041	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F	730689789	MEWOHOKWESOEOW-BFHYXJOUSA-N	420.246	5.718	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccnc3SC(F)(F)F)cc2)c1	731331582	KENJQFNUQNXGAG-UHFFFAOYSA-N	415.396	5.610	30	20	HKED	
CC(C)COc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	731411733	GUJRZYIDLHYOHO-OAHLLOKOSA-N	412.461	5.613	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)OCc1ccc(OCC#N)cc1	733442621	ADGRMUTWCHIGLI-UHFFFAOYSA-N	408.523	5.291	30	20	HKED	
CCCN(CCC)c1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1	734234837	FEQIYOCAZIBRMD-AUWJEWJLSA-N	406.570	5.170	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2cc(F)c(F)cc2F)cs1	734302059	XVSWZDOMGSZZLT-UHFFFAOYSA-N	424.835	5.344	30	20	HKED	
COc1cc(COC(=O)C(C)(C)c2cccs2)ccc1OCc1cccc(C#N)c1	735145673	YJDZBYRDRAZJKN-UHFFFAOYSA-N	421.518	5.228	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1F	735396137	MGOLIDMTSMAZLS-SFHVURJKSA-N	424.834	5.555	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cs1	736827177	XUZTWXKGVUTYHZ-INIZCTEOSA-N	422.506	5.456	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H](OCC)C12CCCC2	740772852	WUGUGUVTMRPSJJ-MOPGFXCFSA-N	405.995	5.358	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	744035798	RQULTRBGFPKFAP-QARUFBMTSA-N	420.843	6.248	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@]34CCCc3ccccc34)n2)cc1	744063157	YIXHFBATQHSYRR-ZJCBTPCYSA-N	409.514	5.152	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)c2C#N)C1	747470800	BPMDVYFXXWJWNE-CYBMUJFWSA-N	411.527	5.344	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1	748684408	ZVBNYZWCFBRUCB-UHFFFAOYSA-N	400.390	5.055	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C[C@H](O)c1cccs1	752208342	ATWSYRLRBOMELO-KKSFZXQISA-N	421.522	5.354	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1	752637226	PQJVBKALRRRZPF-RUZDIDTESA-N	413.496	5.893	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccn3)s2)CCc2nc(-c3ccc(F)cc3)sc21	753144981	SKJXTBBPVNKFFF-SDNWHVSQSA-N	419.506	5.680	30	20	HKED	
COc1cccc(C=NO[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)c1OC	753821761	MHSYVJSDWOYGAN-GFCCVEGCSA-N	421.280	5.777	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2	755190482	YDKYRKJLFRSXNI-MRXNPFEDSA-N	405.548	5.284	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	761873887	QEHBOPHSMIRYAR-JOCHJYFZSA-N	409.555	5.114	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	766275809	QAJOBLCEQXFPSE-FQEVSTJZSA-N	413.502	5.220	30	20	HKED	
COc1ccsc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(F)cc2F)n1	769744134	HCGZCDPXXMTPCD-XQRVVYSFSA-N	420.462	5.072	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NCc3cccnc3)n2)cc1	776078123	UKFWYWIGAJSZDB-NRFANRHFSA-N	424.529	5.616	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)CSCc1cc(Cl)ccc1OCC#N	776271428	BTCBMTBVGAMRNI-QGZVFWFLSA-N	420.987	5.073	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCCC(C)(C)C#N)c(OC)c1	776378263	IXKZACCRNUBCID-UHFFFAOYSA-N	420.509	5.268	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	780678020	JWCNXBKKZVRSMX-DNVCBOLYSA-N	417.431	5.755	30	20	HKED	
CC(C)N1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1	782302618	RETQDLKTODTKHX-VVCLLGATSA-N	419.528	5.543	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	789720171	VFRARJPMVSFFSD-TWVWUCKLSA-N	416.403	6.211	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2	789720734	XGLDBNHZJCRDCQ-UHFFFAOYSA-N	420.553	6.042	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@H](C#N)c1nccc2ccccc12	792105236	LZCCBFQDUBKKOT-IBGZPJMESA-N	401.466	5.001	30	20	HKED	
CC1=C(Br)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1	797618951	OSOJGTVQDPWMQA-UHFFFAOYSA-N	412.287	5.257	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](c2ccccn2)C1)c1ccc(C(F)(F)F)cc1	798443315	DEEIQFNWJIYBIQ-XLIONFOSSA-N	403.448	5.307	30	20	HKED	
O=S(=O)(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(C(F)F)cc1	805006242	ZVIUGYAWCBAEJU-CQSZACIVSA-N	414.779	5.157	30	20	HKED	
Cc1c(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cccc1OCC(F)(F)F	857445857	BNVFXMWIEWFFIZ-HNNXBMFYSA-N	409.301	5.604	30	20	HKED	
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)OCCCCC#N)c12	914624978	OUCDQIVIKZJZJP-UHFFFAOYSA-N	403.360	5.068	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1	917026917	SMFWYIWAIKFXNL-XLIONFOSSA-N	404.535	5.886	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	920111330	SMGXKFCDGKQAHB-DENIHFKCSA-N	416.546	5.814	30	20	HKED	
CC(C)Oc1ccccc1CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1	1657632241	PJQMBFFKBIHCPA-UHFFFAOYSA-N	412.493	5.134	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1	1786103514	YYKBICRXDSENEF-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)s3)cc2)CCC1	1787059309	JEDGVPCKJUJUSK-IBGZPJMESA-N	424.566	5.273	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1	1787597394	LXTUEDRAQJMRGH-FQEVSTJZSA-N	419.525	5.068	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1	1791298685	PPNZHOJNBDIDNL-UHFFFAOYSA-N	424.447	5.392	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1	1831367130	FPNVAWJZJLCLHQ-XMSQKQJNSA-N	416.993	5.094	30	20	HKED	
C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1	1831859508	BWQDMPHZDMESIA-FQEVSTJZSA-N	410.583	5.019	30	20	HKED	
Cc1ccccc1NC(=O)Cc1nc(-c2cn(CCC#N)c3ccccc23)cs1	7844906	DWGXWYPAAHDFID-UHFFFAOYSA-N	400.507	5.168	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(C)cc1	10173162	XHVZUAXOCYIXNT-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccccc2)cc1	10831137	FHQUBPZZQCYNIP-UHFFFAOYSA-O	409.962	5.802	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(C(C)C)cc2)cc1	11262769	XTMMPXMCSDDMNY-UHFFFAOYSA-O	403.571	5.711	30	20	HKED	
C=CCn1c(SCC(=O)c2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1	24224164	DSQGACJAFUKRQV-UHFFFAOYSA-N	421.419	5.264	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2ccccc2)cs1	41534704	CQDSNBGKNPGGDJ-OAHLLOKOSA-N	405.460	5.423	30	20	HKED	
COCCOCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	46618565	JCHJDKQGEVLGST-UHFFFAOYSA-N	418.518	5.125	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)n1	48788316	LXNFYUQOQKZGAB-ZDUSSCGKSA-N	415.927	5.217	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2o1	62676827	VECNYQRQLGMVLS-NSHDSACASA-N	414.273	5.748	30	20	HKED	
CCc1ccc2c(CNc3ccc(OCc4cccc(C#N)c4)cc3)cc(=O)oc2c1	97543316	KYYIODZIHSCOEN-UHFFFAOYSA-N	410.473	5.418	30	20	HKED	
C=CCN(C(=O)Cc1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1	303240204	AVKPCWXFCDQZHR-UHFFFAOYSA-N	402.441	5.591	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1Cc1ccccc1	303401072	QZYIPCNVVWGEJT-IBGZPJMESA-N	416.546	5.689	30	20	HKED	
C[S@](=O)Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1Cl	303624154	NNYJWVPMOCNYTI-LJAQVGFWSA-N	424.909	5.135	30	20	HKED	
C[C@@H](C/N=C(/N)Nc1cccc(Oc2ccccc2)c1)c1nc(-c2ccccc2)no1	305637966	IRZOYFPKLFTMGK-KRWDZBQOSA-N	413.481	5.059	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@@H](C3CCC3)C2)cc1Cl	432676876	BZZKPLWWIBZNDU-SIKLNZKXSA-N	423.944	5.276	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccccc1	437873284	QKJRVFBLUIJGPG-UKILVPOCSA-N	411.505	5.569	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	439505263	ARXRUCLQIPPGCS-WFBMQCHUSA-N	419.525	5.144	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1	439665766	XQWCBBABOCJZTC-KRWDZBQOSA-N	403.457	5.546	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@@H]2CCC[C@H]2O1	441626789	RFNWSKCYVNEYBZ-WIYYLYMNSA-N	409.461	5.053	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3sc(C)c(C)c3C#N)s2)c(F)c1	443462051	PNQFWUCQZCSOLV-UHFFFAOYSA-N	401.488	5.069	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	445829871	MOHOCGHJSFHDJQ-ZDUSSCGKSA-N	422.447	5.767	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1	446490867	QWTOYYMNTQXTOJ-UHFFFAOYSA-N	406.445	5.405	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2c(C#N)nnc3ccccc23)cc1	463087902	RSDVVESFKMYYHX-UHFFFAOYSA-N	414.852	5.224	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1	464509264	NOJOVNXHSITQJE-UHFFFAOYSA-N	408.807	5.418	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)CSc1ccc(C#N)cc1	464712394	PYFPRNIOIQFIRZ-UHFFFAOYSA-N	407.358	5.164	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	465956026	NYKRYCVRAIKKQN-UNMCSNQZSA-N	404.901	5.663	30	20	HKED	
COc1ccc(-c2cncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1	466349876	LJTJEPVDQONGJL-MRXNPFEDSA-N	403.507	5.261	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(NCC(F)(F)F)c3)c2)cc1	468118243	APLWJARWRHYEDF-UHFFFAOYSA-N	411.383	5.577	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC(C)(C)C)cc1	469245836	NKZZXYZKQGOWKL-SFHVURJKSA-N	405.542	5.620	30	20	HKED	
CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC(F)F)cc1	469301781	KPGZQOPRWPWYHB-HXUWFJFHSA-N	413.468	5.434	30	20	HKED	
Cc1cc(F)c(Br)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	469854080	LPTRAYGLMWHKRI-UHFFFAOYSA-N	414.278	5.407	30	20	HKED	
C=CCc1cccc(C(C)C)c1NCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1	473679859	HSWDQAOECBXXRN-UHFFFAOYSA-N	423.513	5.226	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc(C2CCCC2)no1	474361675	FKVARNVMIQIADW-UHFFFAOYSA-N	416.481	5.271	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1C1CCCC1	474966765	DBGULFMLFAHZAB-SFHVURJKSA-N	420.538	5.183	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1)c1ccccc1	475585043	UMYCTZQVABAMHS-OAHLLOKOSA-N	413.449	5.438	30	20	HKED	
C=C(C)[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(F)c(F)c1	475701236	KRZIIBMJNNLVGC-QFIPXVFZSA-N	400.400	5.125	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)C[C@H](CC#N)c3ccccc3)s2)cc1	476095048	JEFQXVDCHBFGKP-KNQAVFIVSA-N	417.578	6.034	30	20	HKED	
N#CC[C@@H](CC(=O)N(Cc1csc(Br)c1)C1CC1)c1ccccc1	476419082	QDIQXCDQMOGODX-INIZCTEOSA-N	403.345	5.089	30	20	HKED	
N#CC[C@@H](CC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	476481916	LNMDUBVCTVDWBK-SFHVURJKSA-N	409.942	5.210	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NCc3cn(CCC#N)nc3-c3ccccc3)c2C)c1	478309134	XKYMEHQDEYZLMA-UHFFFAOYSA-N	410.525	5.187	30	20	HKED	
CC(C)c1ccc(-c2nc(CS(=O)(=O)Cc3ccc(C#N)c(F)c3)cs2)cc1	479016189	WIVZZQJPLSIXBR-UHFFFAOYSA-N	414.527	5.059	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)o1	481298981	JTZBDQDEPZYLJC-QRWLVFNGSA-N	421.476	5.044	30	20	HKED	
CN(C[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	481691968	AJTQUGXMJSTFQK-RBDMOPTHSA-N	411.933	5.010	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1	483089296	PPLQIZXSUHZYOO-XMSQKQJNSA-N	407.514	5.374	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1oc3ccccc3c1COc1ccccc1)CCCC2	484149822	XBPHASSUGJAJAW-UHFFFAOYSA-N	423.472	5.410	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505836700	FFFKAZCVCNYSAJ-UHFFFAOYSA-N	402.413	5.439	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(Cl)c(Cl)c1	505934420	ZGONMMANYXXHHW-INIZCTEOSA-N	401.215	5.483	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2cc(F)ccc2F)cc1	509490312	XWCVHIXHWXBBDU-UHFFFAOYSA-N	408.423	5.137	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(CC(C)C)c3C3CC3)n2)cc1	509854669	PFYUJCBBYJONHV-GOSISDBHSA-N	420.538	5.039	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510031527	WATALYCKVDXULU-HNNXBMFYSA-N	408.317	5.746	30	20	HKED	
O=C(Nc1cc(F)ccc1OC(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510107716	BOLFUACGJGKEKG-CYBMUJFWSA-N	410.289	5.381	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1	513172874	WGWVATIQACRHFQ-GOSISDBHSA-N	423.394	5.151	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c(F)c1	513484176	IFFAXXDRSPRCQU-UHFFFAOYSA-N	408.260	5.079	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	515248571	JENLMNQRSURVNR-UHFFFAOYSA-N	403.404	5.164	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1	517801189	ZWBRQQZIKWUBFW-AWEZNQCLSA-N	403.290	5.616	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1ccc(F)cc1	519433994	JULWEVRFEHREJY-QGZVFWFLSA-N	420.509	5.909	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCc4ccccc43)c2)cc1	522084874	ISGXXDKMZOBESN-JOCHJYFZSA-N	411.505	5.183	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)c2sccc2C)cc1	523014909	OIOHZVMWAAIFMC-OAQYLSRUSA-N	419.550	5.078	30	20	HKED	
Cc1c([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)oc2ccccc12	524379937	FALHJWPKAWOUPI-MRXNPFEDSA-N	400.434	5.276	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	524565353	QPPWZEOZGQQRCX-IAGOWNOFSA-N	413.612	6.322	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3ccccc3OCCn3ccnc3)c2)c1	532889294	RVFQASBRRFWGLY-UHFFFAOYSA-N	424.504	5.025	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](CCC#N)c2ccccc2)cc1OC	533037789	BGOIPWJIJZCFIQ-LJQANCHMSA-N	415.331	5.157	30	20	HKED	
CCC(CC)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C	533869606	WDLICIDGFXLYGK-SFHVURJKSA-N	408.527	5.175	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1	536834837	YSWNPTIOZBIJTA-DVECYGJZSA-N	424.566	5.116	30	20	HKED	
Cc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1	537477370	IBPNKLQTPHHWHK-CYBMUJFWSA-N	403.294	5.014	30	20	HKED	
C[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542002214	ARJQOVMZUQNDNK-SFHVURJKSA-N	407.473	5.300	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1	543224356	RIGSYROJEPURCQ-UHFFFAOYSA-N	409.461	5.073	30	20	HKED	
Cc1sc(C2(NCCCC3(C#N)CCOCC3)CCC2)nc1-c1ccccc1F	555774131	UCXHBLBPTVBLHH-UHFFFAOYSA-N	413.562	5.327	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)cn1	558853611	RQYNXWRDRHPIEA-UHFFFAOYSA-N	424.504	5.259	30	20	HKED	
Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	561492719	NRRCQROOOBVADC-PZJWPPBQSA-N	407.583	5.876	30	20	HKED	
N#Cc1cc(Br)ccc1CN[C@H](c1c[nH]c2ccccc12)C(F)(F)F	561875394	FVUDDHFMXMINKF-QGZVFWFLSA-N	408.221	5.195	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	576502373	IHOHWFHCLFPDTO-DLBZAZTESA-N	415.990	5.236	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1c(F)cccc1Cl	576507756	IZYVXFMXCHXSRK-ZDUSSCGKSA-N	410.836	5.421	30	20	HKED	
C=CCN1CCC(NC(=O)N(CCC(C)C)Cc2ccc(Cl)c(Cl)c2)CC1	592524175	SIBJITJOHFBTRI-UHFFFAOYSA-N	412.405	5.202	30	20	HKED	
CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	604488104	YLAYRCDOCOXZFR-MRXNPFEDSA-N	402.454	5.027	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N	609151688	PNQQLBUBKSUYRQ-QGZVFWFLSA-N	415.880	5.084	30	20	HKED	
CCCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1cc(Cl)ccc1C#N	609285890	HAGRGWYHAGWMAF-UHFFFAOYSA-N	423.925	5.582	30	20	HKED	
N#Cc1ccccc1N1CCN(C(=O)Nc2cccc(Sc3ccccc3)c2)CC1	609398448	RDNCDJKXCIRSHM-UHFFFAOYSA-N	414.534	5.064	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1	609398729	MSRMUWQWENIZRE-PBHICJAKSA-N	407.461	5.754	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)s1	609460504	CNKQGLINUJQANU-CQSZACIVSA-N	422.362	5.410	30	20	HKED	
CN(C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(C#N)cc1F	609558526	JTOWIWHRMDCHFQ-FCHUYYIVSA-N	400.453	5.043	30	20	HKED	
Cc1cccnc1[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C	609682135	BASRMYXPEVJTNG-JOCHJYFZSA-N	400.482	5.573	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl	609682276	HBSSTHSPERESOA-QRWLVFNGSA-N	401.963	6.253	30	20	HKED	
CO[C@@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1	609729532	IOTWLGDJFZWDDN-QFIPXVFZSA-N	406.869	5.121	30	20	HKED	
C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610015666	NLLGHEBGUSOFPQ-HNNXBMFYSA-N	402.429	5.036	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc3cc(F)ccc3c2Cl)c1C	610053486	HVZJOTLGABOAJP-UHFFFAOYSA-N	424.888	5.620	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2c1	610275683	KQHJJCYAJFAQRE-OKILXGFUSA-N	401.354	5.290	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N[C@@H](C)c1cccc(C#N)c1)c(C)n2C1CCCC1	610364527	RJUWWVVSQBGCQG-INIZCTEOSA-N	401.510	5.436	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1Br	616326021	VUYMRYKBTBVXNE-GFCCVEGCSA-N	403.345	5.570	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[C@@H]1C(F)(F)F	616760868	MTIKSZXSWPDGFZ-KRWDZBQOSA-N	418.419	5.188	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	622566033	BWWKRKOXIHHROU-QLJPJBMISA-N	407.329	5.285	30	20	HKED	
C[C@H](N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	644554312	WJRKEUHWXROBCO-CKLFPEKLSA-N	409.292	5.221	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1Cl	726441240	LLHORNUZPXYXBE-CQSZACIVSA-N	412.971	5.398	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)c2csc(-c3ccccn3)n2)c1	728181917	KEDLDSVLTNYESS-UHFFFAOYSA-N	401.516	5.095	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cccc(OCCC(=O)O)c1	728442235	ZKXGHLDNCQCNRJ-KTKRTIGZSA-N	411.454	5.007	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc2cc(F)ccc2s1	730418573	XQSHSQRTDVGFPA-CQSZACIVSA-N	415.287	5.106	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2oc1=O	730993936	GBLASARXXHFWRR-UHFFFAOYSA-N	418.396	5.070	30	20	HKED	
CC(C)(C)n1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)c(-c2ccccc2Cl)n1	731156696	JILAPBKYIRFRJV-RAXLEYEMSA-N	419.912	5.757	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)SCc2cc(Cl)ccc2OCC#N)c(C)c1	735319975	HEANFHUZQXTPJB-MRXNPFEDSA-N	402.947	5.428	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S	739842029	UMNPLGCGYAADFL-UHFFFAOYSA-N	415.560	5.314	30	20	HKED	
N#CCOc1cccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1	741903485	OMMXDRADGVYYOX-UHFFFAOYSA-N	402.416	5.448	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)COC3)cs1	742436577	MAHVDGJTRPCVSM-RMKNXTFCSA-N	424.909	5.407	30	20	HKED	
CS[C@@H]1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	743117732	XOSAKZVLTFGUDN-WMLDXEAASA-N	401.919	5.410	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1SCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	744038173	OUIPUDIUOUSHKD-KBXCAEBGSA-N	418.465	5.522	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)cc(Cl)c1O	746345341	FAOBDQTVYXFXDX-GQCTYLIASA-N	414.857	5.664	30	20	HKED	
COc1cc2c(cc1/C=C\C(=O)c1ccc(SC(F)F)c(OC)c1)O[C@@H](C)C2	746346322	PJTZTDVQCWTBNO-RNZFLTOJSA-N	406.450	5.238	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)n3C)n2)cc1	750396422	YBZRDLIGUWLIIA-IBGZPJMESA-N	415.493	5.753	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)c1	751825835	CILTUFVEWULLPQ-GOSISDBHSA-N	423.925	5.026	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2cccc(F)c2)CC1	752326906	FZJUGDJLCOQOAB-QGZVFWFLSA-N	411.546	5.038	30	20	HKED	
CCOc1ccc(C=NOCc2ncc(-c3ccc(Br)cc3)o2)cc1	754278700	GGQBLTJNEZZMJF-UHFFFAOYSA-N	401.260	5.054	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)c1ccccc1	757913825	LCQWYKUYAYBAST-LAUBAEHRSA-N	407.514	5.158	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3cc(F)ccc3F)n2)cc1	762049472	CWIINSBRNJEMQD-SFHVURJKSA-N	407.445	5.159	30	20	HKED	
N#CCOc1ccc(CC(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1	763720763	AXTHTZZOSBQMSE-UHFFFAOYSA-N	415.320	5.144	30	20	HKED	
N#Cc1ccc(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1C(F)(F)F	764915105	RRPNAOSQDRHGCE-UHFFFAOYSA-N	414.349	5.084	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1	766622608	JPXUXSDOYXVKKV-LSTHTHJFSA-N	404.938	5.143	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1	767859471	PJWDJYPWJDDHGS-UHFFFAOYSA-N	418.497	5.084	30	20	HKED	
CCc1noc(C)c1C(C)=NNc1ncnc2scc(-c3ccc(OC)cc3)c12	769796626	KQWNZGABCOEYMC-UHFFFAOYSA-N	407.499	5.062	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)OCc1ccc(C2(C#N)CC2)cc1	777344777	ACYJOMBACIEBES-UHFFFAOYSA-N	418.518	5.496	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	780167375	VJWGVNBEGKGRRH-HNNXBMFYSA-N	417.852	5.547	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)NCc2ccc(C#N)cn2)c2cccs2)cc1	780194520	KNQXCAXSDUPKRV-ZHRRBRCNSA-N	404.539	5.117	30	20	HKED	
COc1ccc(SCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	781450675	JFGDDMYYRUVHLH-MRXNPFEDSA-N	416.955	5.707	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCO1	781762540	FMJJBSZFBVECGO-LIVBEALHSA-N	402.947	5.481	30	20	HKED	
COc1cc(C(=O)/C=C/c2cnc(-c3ccc(Cl)cc3)s2)c(OC)cc1O	789141148	BDYXFZUGXOKLHR-BQYQJAHWSA-N	401.871	5.082	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nccc2ccccc12	792093078	USMRIRDOXMTJKZ-HNNXBMFYSA-N	409.923	5.492	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\COc3c(Cl)ccc(Cl)c3C2=O)cn1	792885660	OQHGIUHDSWUSIC-MDWZMJQESA-N	413.260	5.118	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	798010364	JFGXFXXWWDVPLW-KEYYUXOJSA-N	415.386	5.075	30	20	HKED	
Cc1nn(C)c2sc(C(=O)/C=C/c3ccc4ccc(Br)cc4n3)cc12	806576473	BZYBBOKGOAZEPH-BQYQJAHWSA-N	412.312	5.150	30	20	HKED	
C[C@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc(C#N)c1	806971523	ONPHKJXHYQRYNJ-UWJYYQICSA-N	421.541	5.028	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)cc2)ccn1	810284779	WWKDUHBUUGSFPN-NRFANRHFSA-N	404.857	5.378	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc2ccccc2c1	811802413	AJDIWPDLPBJRNM-KRWDZBQOSA-N	408.461	5.338	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)c1cc(C(F)(F)F)ccn1	813214635	AVQAHBWCFLMUDS-CYBMUJFWSA-N	413.226	5.705	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2cccc(Br)c2)cc1	915085411	LOAFXDYVLAWHMC-JOCHJYFZSA-N	419.322	5.676	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Br)c2)cc(Cl)c1O	916134114	DIDJUKNZQCAOTP-GQCTYLIASA-N	411.679	5.112	30	20	HKED	
O=C(Nc1cccc(/C=C2\CSc3ccccc3C2=O)c1)c1ccccc1Cl	916154755	STDJCASJKPILJE-FOWTUZBSSA-N	405.906	5.964	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3cccc(OCC#N)c3)cc12	916411443	VZRCQKZFTQUYNE-UHFFFAOYSA-N	422.897	5.204	30	20	HKED	
Fc1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)cc1	916546462	RUQXSQQVRRNAHH-UHFFFAOYSA-N	412.877	5.505	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc2c(s1)-c1ccccc1CC2	916904853	FJOMOOLIHHPRDQ-MRXNPFEDSA-N	406.894	5.128	30	20	HKED	
CC(=O)N(c1nc(/C=C2/Cc3cc(C)ccc3C2=O)cs1)c1ccc(F)cc1F	921269444	LLFZKTZTCIWDJM-DHDCSXOGSA-N	410.445	5.237	30	20	HKED	
C=CCCC[C@H](NC(=O)N1CCc2c(ncn2-c2ccccc2)C1)c1ccccc1	929084090	NIDUDKJAJNMHFU-QFIPXVFZSA-N	400.526	5.038	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1	1787190877	FNZDDCZWYICUQW-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccccc3)cc2)CCC1)C(F)(F)F	1792313075	KJOJLKJBUSCHKX-OAHLLOKOSA-N	416.443	5.043	30	20	HKED	
C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C2	1802316743	YFQVROGXRXVWDN-KOUNCHBCSA-N	410.602	5.110	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC(F)(F)C2)CC1	1823687702	LSJROAZBKUTGEW-WOJBJXKFSA-N	424.576	5.034	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826529231	DYHRVEJHJWPDMM-CNPKUOIJSA-N	420.597	5.088	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccoc1C	7172197	RQWQZKBUSILMMQ-CQSZACIVSA-N	416.934	5.114	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1	10267032	DIIYFBAQILTWTL-JTQLQIEISA-N	414.745	5.650	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(NC2CCCCC2)s1	20044467	ZLHFLSOTXZTMLU-UHFFFAOYSA-N	420.629	5.292	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)NCc1ccccc1	22730703	LQICCOFWONWXSD-UHFFFAOYSA-O	417.598	5.190	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2ccccc2)cs1	41534700	CQDSNBGKNPGGDJ-HNNXBMFYSA-N	405.460	5.423	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(=O)c2ccco2)c1	55011482	NUGYYVQILNIPHW-UHFFFAOYSA-N	400.887	5.075	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1	64394408	MRARPUUXNWNELN-XZOQPEGZSA-N	416.908	5.727	30	20	HKED	
Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c(C)n1-c1ccc(Cl)cc1	72087454	DNTVPRYJJZSCTL-UHFFFAOYSA-N	408.889	5.077	30	20	HKED	
CCOc1ccc(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	107806691	DDESVUNMYUZQNE-UHFFFAOYSA-N	419.506	5.184	30	20	HKED	
C[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)N(CCC#N)c1ccccc1	195545339	PBMIZJBBLVJHFO-HNNXBMFYSA-N	411.527	5.377	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)ccc1Br	217047140	ONZYOURFDQMBTE-NSHDSACASA-N	409.736	5.749	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1ccc(C(F)(F)F)cn1	301846399	VCDRBUTZIGUYKO-UHFFFAOYSA-N	406.882	5.122	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(F)c(Cl)c1	303194763	MZQMTDKMKWCLIZ-UHFFFAOYSA-N	424.859	5.256	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3cccc(F)c3)CC2)cc1	303786472	HNIULYICRAEBJT-UHFFFAOYSA-N	416.521	5.451	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21	428647642	ZJYHBYPDYRBIPM-RUZDIDTESA-N	423.516	5.138	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	431750335	AWFPXQLCMHFBGE-INIZCTEOSA-N	416.456	5.141	30	20	HKED	
COc1ccc(C#N)cc1CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl	434890246	VELPEOIQVRRGPW-UHFFFAOYSA-N	409.848	5.224	30	20	HKED	
CCOc1ccc(-n2c(SCCCCC(C)(C)C#N)nnc2-c2ccccn2)cc1	436206727	VYDHTBXJRNSOGA-UHFFFAOYSA-N	421.570	5.540	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1	437498266	PQXGNKUKGGBBMW-AUSIDOKSSA-N	402.494	5.028	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1)c1ccccc1	438867100	REQJJWKHMVSNSE-PZJWPPBQSA-N	409.942	5.835	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccccc1S[C@H](C)CC#N	439521195	VNEWBBKGSZGOMN-MRXNPFEDSA-N	405.527	5.434	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cnn1-c1cccc(C#N)c1	439666157	UUIUKXDXMKQSJR-HSZRJFAPSA-N	413.525	5.374	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccncc3Oc3ccccc3)s2)cc1	440436468	AZSHZSUATZJHLB-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)c2ccccc21	444037990	XIKZGRFJOLTQGM-UHFFFAOYSA-N	410.477	5.171	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c2ccccc21	444044248	IWEAMIVRSFGTCD-UHFFFAOYSA-N	400.404	5.172	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	446493004	CZYKWEJSLSNLBA-NEPJUHHUSA-N	422.316	5.168	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1	460282675	KGDVZBLONPNHQR-UHFFFAOYSA-N	418.456	5.125	30	20	HKED	
CC(C)O[C@@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1(C)C	463961888	RBKAFADLVWCERF-DHIUTWEWSA-N	421.541	5.045	30	20	HKED	
Cc1csc([C@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C2CC2)n1	464789432	BXKHPBAKOYSCKO-OAQYLSRUSA-N	403.507	5.305	30	20	HKED	
CCO[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1=CCCC1	465129981	UTKLHMUGNAZFNN-QHCPKHFHSA-N	408.473	5.120	30	20	HKED	
CC[C@@H](C)n1c(SCCCSCC#N)nc2sc3c(c2c1=O)CCCCC3	466622633	FYRZFWHGRJHBFQ-CQSZACIVSA-N	421.657	5.437	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1cccc2c1CN(c1ccccn1)C2	475543555	DUPGXAIDOQSKRD-UHFFFAOYSA-N	412.537	6.098	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1	475554218	XAIWRXGOTHYGRT-FQEVSTJZSA-N	405.542	5.421	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)nc2ccccc21	475910505	IZJPZLCDJJPMKA-YADHBBJMSA-N	414.553	5.411	30	20	HKED	
C=CCn1c(SCC(=O)C2(c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1	475957516	ZCEQXVMPHXRCMV-UHFFFAOYSA-N	409.942	5.178	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C[C@H](CC#N)c2ccccc2)C1	476360121	VMTXZTPZDSYRNR-LKUPVBHCSA-N	400.444	5.702	30	20	HKED	
COc1ccc(F)cc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	476376285	UJAULRDKASKIAI-UHFFFAOYSA-N	412.408	5.040	30	20	HKED	
CC(C)c1ccc(-c2ncc(CS(=O)(=O)Cc3ccc(C#N)c(F)c3)s2)cc1	479026975	TWQXAORYVBMONW-UHFFFAOYSA-N	414.527	5.059	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C	480308834	IKRWWTQKCHCLNY-UHFFFAOYSA-N	405.951	5.068	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1	480566199	CBWYKTLUBPNFRK-NRFANRHFSA-N	402.510	5.176	30	20	HKED	
COc1cccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	481565612	CNESJNRJPKTPAA-INIZCTEOSA-N	419.456	5.168	30	20	HKED	
CCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1cccc(Cl)c1	485335216	NIXSMYFLDYCFBH-LJQANCHMSA-N	407.905	5.255	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c(OC)c1	485843235	JTSJNZAJFUSDJX-UHFFFAOYSA-N	409.432	5.386	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1cc2c(cc1Br)OCCO2	487391149	FSDAHULLVCROFO-ZDUSSCGKSA-N	419.344	5.084	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1	488263936	JFIUPIWTDNLLPS-ZCFIWIBFSA-N	401.307	5.203	30	20	HKED	
CCCCOc1ccc(-c2nnc(COc3c(C#N)cnc4ccc(C)cc34)o2)cc1	488264965	NGCXDJYHANBFIB-UHFFFAOYSA-N	414.465	5.223	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	489021567	YUWHGAXRBAGPKY-SETSBSEESA-N	417.574	5.824	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccncc1	489446632	JBVGQTCGFVTVCH-INIZCTEOSA-N	418.526	5.128	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCc1ccc(F)c(F)c1	489587117	PKLYXIGEVNKZQR-AWEZNQCLSA-N	406.523	5.273	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)cc1	501455222	WZOJDJRJRBEORP-UHFFFAOYSA-N	414.480	5.531	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12	504122717	JGHKEIPFRFSVLM-BJKOFHAPSA-N	402.542	5.261	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)c3ccccc3n2)c(C)c1	505298941	FISBWUWYSGDVAA-JOCHJYFZSA-N	406.489	5.416	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1/C=C/c1ccccc1	505884663	JRUNNXNLTZWPPR-OQPAMZIISA-N	405.567	5.197	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1C#N	509673700	WHZGESJTAYSQPS-UHFFFAOYSA-N	416.506	5.337	30	20	HKED	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	510853396	QUXSUKZASGBMAA-INIZCTEOSA-N	404.432	5.594	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)o1	512382066	YQNKGEMNCKZNET-SFHVURJKSA-N	424.909	5.351	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C2CC2)cc1	513117735	FNQMONBJNFCLGY-VWLOTQADSA-N	412.489	5.027	30	20	HKED	
CC(C)COc1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N	515693356	YHWSDTQGXVAUSM-UHFFFAOYSA-N	402.519	5.997	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccncc5)cs4)cc3c2C1	516331468	SVRSAJFFPCRJBM-LIRRHRJNSA-N	412.518	5.301	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OC(F)F)c2ncccc12	516461909	KBPWKUFQMCYBDE-UHFFFAOYSA-N	413.424	5.065	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1ccc(C(=O)Nc2ccccc2)cc1	519423836	FXJQEDSJTLNLAV-GOSISDBHSA-N	401.535	5.803	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2ccccc2)cc1C	520137239	XJXWPIPFRZRFGF-UHFFFAOYSA-N	401.466	5.790	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ncccc1C)C(C)C	523786850	KNVKNLLNVKIXQA-QHCPKHFHSA-N	414.509	5.881	30	20	HKED	
COc1ccccc1[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccco1	532675673	WCPKWSGDEBQDRB-MHZLTWQESA-N	424.500	5.618	30	20	HKED	
C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1CC(=O)Nc1ccccc1SC[C@H](C)C#N	535790677	HJTBSPKTHHUIAS-IXDOHACOSA-N	411.546	5.024	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1	538946873	YGMXZAONRITRLA-UHFFFAOYSA-N	412.493	5.232	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)cc1	539530773	NTYOUMSQFAWZPU-FQEVSTJZSA-N	400.522	5.896	30	20	HKED	
COc1ccc(-c2ccc(CNC3CCN(Cc4ccc(C#N)cc4)CC3)s2)cc1	540595515	XDYDUBRQXYRLDV-UHFFFAOYSA-N	417.578	5.050	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)c1C	541073733	FVAUPQUTSOTHEM-UHFFFAOYSA-N	417.456	5.233	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCc3nnc(-c4ccc(C#N)cc4)o3)s2)cc1	541661114	PFUZPICNNDHBEU-HNNXBMFYSA-N	415.522	5.199	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	542562142	MPVFORMBDSYPBB-UHFFFAOYSA-N	415.493	5.703	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1	543217287	OCXBZMDVPMSFGM-UHFFFAOYSA-N	410.470	5.012	30	20	HKED	
COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C	546636565	NQJZPNPFXCPEQR-UHFFFAOYSA-N	420.852	5.351	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	547419089	SFYKZCFYUYGHSU-UHFFFAOYSA-N	403.825	5.137	30	20	HKED	
CCc1ncnc(CC)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	549376359	KEEZWYOVPVZEQC-GOSISDBHSA-N	404.901	5.163	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)cc1F	550669137	YACKREOQHQRSEW-IBGZPJMESA-N	400.409	5.188	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	558650014	DABVCTZMMCHSBZ-GBXCKJPGSA-N	418.585	5.559	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCc1nc(C(C)(C)c2cccc3ccccc23)no1	560013577	LCTHBBIYBWVANO-UHFFFAOYSA-N	413.525	5.061	30	20	HKED	
C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)c1cccc(C(=O)c2ccccc2)c1	560707282	VYBCMDMWPYALDK-KRWDZBQOSA-N	409.489	5.106	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F	567549933	NDQMBUAENFWKCS-UHFFFAOYSA-N	424.423	5.312	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCCCC2)no1	568613841	NFDNMJRRGHAKGB-UHFFFAOYSA-N	417.469	5.023	30	20	HKED	
C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1Cc2ccccc2C1	570888735	ZVQVKBYKUOGUIS-UHFFFAOYSA-N	408.505	5.230	30	20	HKED	
C=C[C@](C)(CCOC)c1nc(-c2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)no1	576383748	BPSDXNALXGTLLP-HXUWFJFHSA-N	420.435	5.038	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1cc(C#N)ccc1Cl	583287897	ZYJGOCJBQZRDDN-UHFFFAOYSA-N	410.882	5.288	30	20	HKED	
COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc(C#Cc2cccs2)c1	603952295	LTGJOWRHIIFHCY-INIZCTEOSA-N	421.543	5.054	30	20	HKED	
C[C@@H](c1nnc(S[C@H](C#N)Cc2ccccc2)n1-c1ccccc1)N1CCCCC1	604076974	CYVYEOCRNSMBED-UGKGYDQZSA-N	417.582	5.041	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1cccc(Cl)c1	609062135	ZGZZVDSSPIRPLD-UHFFFAOYSA-N	406.869	5.117	30	20	HKED	
CCCn1c(C)cc(-c2csc(NC(=O)c3cc4ccccc4n3CC#N)n2)c1C	609200430	DDQKDAKKFVNZOW-UHFFFAOYSA-N	417.538	5.369	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1	609402043	WPDZDDFTGYCTHH-QGZVFWFLSA-N	416.550	5.741	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2cccnc2)cc1	609427608	RAZGPINANVOPRR-QGZVFWFLSA-N	403.507	5.307	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	609437183	USMGRQRLTJHGLF-QIIPPGSGSA-N	419.472	5.777	30	20	HKED	
C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ncc(-c2ccccc2)o1	610067937	CHFZAGGELGGSES-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
C[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ncc(-c2ccccc2)o1	610068026	NFQDIGUOFQQEOU-KRWDZBQOSA-N	408.461	5.448	30	20	HKED	
CCOc1ccc([C@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1	611377435	XVEXSEOTDVQIHS-IBGZPJMESA-N	416.521	5.395	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618543087	MAGZJDBQCLNFSV-HTQZYQBOSA-N	424.263	5.022	30	20	HKED	
C[C@@]1(C#N)CCCN(c2nnc(-c3ccc4ccccc4c3)n2Cc2cccs2)C1	619855014	DHVKXNPGNOBYDE-DEOSSOPVSA-N	413.550	5.338	30	20	HKED	
C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1	630026304	HBQUVTZCDNDJMR-XMMPIXPASA-N	424.504	5.512	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c3ccccc3n2)o1	643777990	MNIZPZYLAXYZLY-QGZVFWFLSA-N	421.378	5.707	30	20	HKED	
CCCOc1cc(F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675388754	BXVMVGIYCLIFRY-PHIMTYICSA-N	416.337	5.209	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3ccc4ncccc4c3)SC2=S)cc1Cl	726628221	ZWSQVPOCHDSMEF-GIJQJNRQSA-N	407.907	5.166	30	20	HKED	
CC(C)c1nc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cs1	726695575	HMIQZHYDQKJTJT-OAQYLSRUSA-N	404.539	5.286	30	20	HKED	
Fc1cc(Br)ccc1NN=Cc1ccccc1OCc1cccnc1	728432133	JIQFCVJDTXRKLY-UHFFFAOYSA-N	400.251	5.008	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cccc(OCCCC#N)c1	728442050	UTFLWMGIPRKEKI-VAWYXSNFSA-N	406.482	5.836	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	728765825	UBZKJZNXTZVLRS-AWEZNQCLSA-N	406.404	5.608	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc2cc(F)ccc2s1	730421812	QFLWKVRWIUXBNF-OAHLLOKOSA-N	410.857	5.497	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c2ccccc21	731277864	SQERXHVCIDNOOA-PKTZIBPZSA-N	422.484	5.238	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2c(Cl)cccc2Cl)nc(-c2ccccn2)n1	733079673	IECHSPSPOTVHLM-UHFFFAOYSA-N	412.202	5.310	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2ccc(C)cc2)ccc1OC	733229399	BLCMFDQLJXXKRY-IBGZPJMESA-N	420.534	5.343	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccc(Br)cc1	733252820	ACWXYYCQBPGUSG-OAQYLSRUSA-N	403.279	5.015	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1	733800171	UNJLVNSWONMZMI-GXTWGEPZSA-N	424.303	5.374	30	20	HKED	
CCN(CC)c1ccc(C=Nc2cccc(C[S@](=O)c3ccccc3)c2)c(O)c1	734366455	SEDBXTSWPINGFJ-LJAQVGFWSA-N	406.551	5.297	30	20	HKED	
COc1ccc(NC(=O)c2ccccc2SCC#N)cc1NC(=O)C1CCCCC1	734819040	SLAKOOVPPUFXII-UHFFFAOYSA-N	423.538	5.082	30	20	HKED	
COc1ccccc1[C@H](NC(=S)Nc1ccccc1C#N)c1ccccc1Cl	741482133	HENGQAUQDIHNJE-OAQYLSRUSA-N	407.926	5.296	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Sc2ccccc2)c1	741933714	LHJDWJRUKQONKR-IBGZPJMESA-N	402.519	5.449	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)c2c1	742405724	BLQPABMLGVPXIB-DEOSSOPVSA-N	405.929	5.327	30	20	HKED	
COc1ccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c(C)c2c1	744030056	YUBKZPSHSJBMSG-LJQANCHMSA-N	414.486	5.333	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4nc(S)oc4c3)c2)cc1	746131000	LVFBKDUYEFZKNE-UHFFFAOYSA-N	415.474	5.014	30	20	HKED	
Cn1cccc1[C@H]1CCCCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	746771021	WLQXJDKGLXAWTB-OAQYLSRUSA-N	404.539	5.062	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)c(OC)c(Cl)c2)cc1C#N	752222313	LCPCFOTYQLKDFX-UHFFFAOYSA-N	423.256	5.086	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1OC(F)F	753220940	LDIKONMKZXMKTL-ADVGAGMGSA-N	402.466	5.582	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O[C@@H](C)C(C)(C)C#N	753627406	AAFHNLSIMGSDMK-NSHDSACASA-N	408.882	5.196	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncc[nH]2)c1	776434544	VDAFHZVUJFLCOR-ZHZULCJRSA-N	415.405	5.010	30	20	HKED	
N#CC1(c2ccc(COC(=O)Cc3csc(-c4ccccc4Cl)n3)cc2)CC1	777144328	TUKHFOFWOSLPJB-UHFFFAOYSA-N	408.910	5.305	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)c3ccccc32)ccc1OC	783473887	RZBGUPOIWQRRHP-MZKRTTBSSA-N	420.553	5.310	30	20	HKED	
Cc1ccnc2sc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(C)c12	786473996	SXHVQGNIMZJDRX-UHFFFAOYSA-N	421.309	5.241	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C\c3cnc(-c4ccc(Cl)cc4)s3)cc2N1	789147402	HIWZAOSQOWIVSC-WAYWQWQTSA-N	418.952	5.465	30	20	HKED	
C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1	791749520	VSUIIFFCOUOCJK-YADARESESA-N	410.473	5.124	30	20	HKED	
COc1ccc(C(C)=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1OC	794981148	JSQLXYVYFMIINL-UHFFFAOYSA-N	416.403	5.016	30	20	HKED	
Cc1noc(C2CCC(=NNc3ncnc4sc(-c5ccccc5)cc34)CC2)n1	797400160	PTPAVBINZPTCGA-UHFFFAOYSA-N	404.499	5.175	30	20	HKED	
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCCCC1(C#N)CCOCC1	800081332	IESLAAMHLXSKGI-UHFFFAOYSA-N	414.505	5.468	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCCCC1(C#N)CCOCC1	800152696	ZCQZFDXSMDXAEG-UHFFFAOYSA-N	410.948	5.091	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1	812744524	HZENCDPIJKRDNV-ZWKOTPCHSA-N	413.949	5.149	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1C(F)(F)F	813217009	AOQNOOKYYNZSRS-SMDDNHRTSA-N	400.322	5.489	30	20	HKED	
Cc1cc(C)c(N2C(=O)/C(=C/c3cccc(OCC#N)c3)SC2=S)c(Cl)c1	915635697	DTJTVUFVLFEHER-BOPFTXTBSA-N	414.939	5.265	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(F)c(Br)c2)ccc1OC(F)F	916126845	NBFFFAWDDMELJZ-UTCJRWHESA-N	401.178	5.094	30	20	HKED	
C[C@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917046486	DSSVNARSFHZVCA-JQWIXIFHSA-N	407.347	5.960	30	20	HKED	
O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1ccc(Oc2ccccc2)c(F)c1	917144148	AGCVTAXUKQWBDA-JXMROGBWSA-N	403.388	5.234	30	20	HKED	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(SCc2ccccc2)cc1	917625650	UAMMMETXXTYLMF-UHFFFAOYSA-N	402.519	5.147	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)/C=C\c1cnc2ccccc2n1	919893808	QEBKZKPCNVBSKH-JYRVWZFOSA-N	406.445	5.254	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)CCC3)cc2)C1	1785803484	MSRVAWKEIRBQOR-PKTZIBPZSA-N	418.512	5.030	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CCC2)cc1	1791586373	RJBYKQBNXRHJAJ-UHFFFAOYSA-N	413.521	5.314	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1828827906	ZCCHYQMVTHDGKW-PKTZIBPZSA-N	400.607	5.121	30	20	HKED	
C=CCNc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1	5785716	KYPPUSGORMGKMC-UHFFFAOYSA-N	414.581	5.018	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)OCO2	6341046	PGQNJSDFRQDDRV-CSKARUKUSA-N	405.837	5.217	30	20	HKED	
O=C(/C(=C(/S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccc(F)c(F)c1	10759109	OVMBZAVSSARMRM-UHFFFAOYSA-O	421.851	5.096	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccccc1Cl	22730420	MLALIBIUXWLDNJ-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(C)c2C)cc1	23603657	WKQMPPIMUAPOLT-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
CC(C)c1ccc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2cccs2)cc1	24083693	UORFRIKBOKECRW-VWLOTQADSA-N	403.595	6.101	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1ccc(OC)cc1	26038152	IQZRQRKQZMCJOW-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C=CCn1c(SCc2cc(F)cc3cccnc23)nnc1-c1ccc(OC)cc1	31616346	VGNABJVWEHBTCI-UHFFFAOYSA-N	406.486	5.119	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1	46534167	BIWJBBREVNMICW-QWHCGFSZSA-N	415.349	5.411	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl	47565600	MUQKYDXSQRXHIA-FYYLOGMGSA-N	416.912	5.759	30	20	HKED	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1-c1ccccc1C#N	50867496	VRCAUCSJXUQNGI-NVQXNPDNSA-N	410.517	5.465	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)c1	55772180	HFYHLADIYVNBLF-NVXWUHKLSA-N	415.415	5.118	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)on1	56800426	CIOALJDJOGXRBI-NRFANRHFSA-N	402.454	5.324	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1	116101380	YZJXKISVEWIOJG-UHFFFAOYSA-N	407.564	5.613	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(F)c3)s2)ccc1OC	236896483	LTHBFPRKEJFXGT-LJQANCHMSA-N	410.514	5.534	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sccc2SC(F)F)cc1	261459231	VAMJSMKNSHRZDB-UHFFFAOYSA-N	408.495	5.129	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	303270947	HIGCJQTXFNLOKW-BMFZPTHFSA-N	404.457	5.699	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303719830	VZDFMOKUHHIJNC-NSHDSACASA-N	407.276	5.066	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c1	409929608	AVXINUIJRNJYCS-PMACEKPBSA-N	415.320	5.039	30	20	HKED	
Cc1c(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)sc2ccc(C#N)cc12	428164997	KRZFXNCSKMMZTM-UHFFFAOYSA-N	424.472	5.095	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl	432093741	FACKBJJRDAVOHC-LRDDRELGSA-N	424.353	5.100	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1	432691175	VJZUMBXNZIHIKX-HXUWFJFHSA-N	405.498	5.675	30	20	HKED	
N#CCCn1cc(CNc2ccc(-c3ccc(Cl)s3)cn2)c(-c2ccncc2)n1	432731434	YKNJZNLKMUSROP-UHFFFAOYSA-N	420.929	5.248	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1	432766398	HAEJFNMAIZRMTA-OAQYLSRUSA-N	401.470	5.134	30	20	HKED	
Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	437905901	GERNHZWHOXZEDS-HSZRJFAPSA-N	405.542	5.052	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1	438425267	WEXTWCCYNZJRLI-UHFFFAOYSA-N	419.481	5.111	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC	438669398	IWUQQCNTPAUMIW-UHFFFAOYSA-N	421.428	5.459	30	20	HKED	
C[C@H](Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1	439592770	HPXBBHDPNNDZCB-HNNXBMFYSA-N	409.411	6.002	30	20	HKED	
CN(C)Cc1nc(NCC2CCC(C#N)CC2)c2c(-c3ccccc3)csc2n1	440667102	PHTITEDFKPIQPK-UHFFFAOYSA-N	405.571	5.162	30	20	HKED	
N#Cc1cc(NC(=O)CCc2nc3cc(Br)ccc3s2)ccc1Cl	440941295	JBOFUIMMTQYFAZ-UHFFFAOYSA-N	420.719	5.155	30	20	HKED	
C=CCN(C(=O)c1cc2c(C(C)C)nn(C)c2s1)c1nc(-c2ccccc2)cs1	443818863	WOZWVAWXPHZHOJ-UHFFFAOYSA-N	422.579	5.715	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc2c1CCCCC2	443819677	XKTUVEDUYDEIRR-UHFFFAOYSA-N	409.389	5.068	30	20	HKED	
CN(Cc1ccccc1F)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444011436	APAPFKSPFUXLAM-MRXNPFEDSA-N	422.344	5.680	30	20	HKED	
C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(-c2cccnc2)cc1	444283949	SJACOYNKGRCMSF-LJQANCHMSA-N	408.505	5.498	30	20	HKED	
CCCCCC(=O)NC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1	444620608	OLKZKCAKLOIMCR-UHFFFAOYSA-N	417.597	5.047	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)CSc1ccc(F)cc1	445823216	BMBFZXRSNCIUCN-INIZCTEOSA-N	421.497	5.560	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccsc1Cl)c1ccc(C(F)(F)F)cc1	445922385	VZWIVOJMENZLAW-ZDUSSCGKSA-N	416.852	5.183	30	20	HKED	
O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N(Cc1ccc(F)cc1)CC(F)(F)F	460458542	HCJWKOIFOMDEGI-IRXDYDNUSA-N	419.340	5.539	30	20	HKED	
N#Cc1cccnc1-n1cc(NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)cn1	461415751	YIOKQVPEWASGIL-UHFFFAOYSA-N	409.371	5.030	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(Cl)c1)c1cc(C(F)(F)F)ccn1	464474890	LPXJHBLDNQDJRL-SNVBAGLBSA-N	403.585	5.006	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1Cl	464860743	WOYYDSFRVLIECW-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
CCO[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1=CCCC1	465126827	JYWIJNHXPBBBKI-QGZVFWFLSA-N	412.477	5.555	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Nc1ccccc1CCC(F)(F)F	465236988	RHGILCDGEMHLJN-UHFFFAOYSA-N	407.461	5.108	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1ccn(-c2ccc(Cl)cc2)n1	467255494	AEHHMRAULMICLO-UHFFFAOYSA-N	401.857	5.197	30	20	HKED	
Cc1cc(Br)c(F)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	469787979	SEJFEFBCIDXSRU-UHFFFAOYSA-N	414.278	5.407	30	20	HKED	
N#CC[C@H](CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1	474424338	CAJLWBXXINPFHI-QGZVFWFLSA-N	401.491	5.260	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccccc1	476059009	FBSAQURBTTWUNJ-PBBNMVCDSA-N	408.567	5.294	30	20	HKED	
CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	479499335	FAHHHLKZERQIHD-UHFFFAOYSA-N	401.491	5.229	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1	479532957	YHZWPUJMOKBQIW-UHFFFAOYSA-N	417.515	5.006	30	20	HKED	
C=CCC1(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)CCC1	479811268	WSQBFMUAQCENNV-INIZCTEOSA-N	414.937	5.038	30	20	HKED	
Cc1nc(-c2ccccc2)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)s1	484413615	FLVJSWFRYBHUMS-UHFFFAOYSA-N	411.486	6.035	30	20	HKED	
CSc1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1[N+](=O)[O-]	485757184	SSZFWKHONYXLNE-UHFFFAOYSA-N	421.503	5.268	30	20	HKED	
COc1ccc(-c2noc([C@H](C)Nc3ccc(Oc4ccc(C#N)cc4)cc3)n2)cc1	489732609	XDZAKWFQEVQNAY-INIZCTEOSA-N	412.449	5.582	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc(-c4ccsc4)oc3C)o2)cc1	489800563	HDHNCXKLQFVEPB-UHFFFAOYSA-N	411.508	5.619	30	20	HKED	
N#Cc1ccsc1C(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	497987268	VUWNCAMPJXIDJS-UHFFFAOYSA-N	419.506	5.729	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)c12	499837010	KTNPPTCFVSAKRX-GOSISDBHSA-N	420.856	5.083	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1	500342432	FDAOXJIUUHASTB-TXCSNJEZSA-N	418.537	5.061	30	20	HKED	
CCCCN1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	502215850	OESRDNSIKNJWRT-QFIPXVFZSA-N	424.976	5.381	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl	503701883	NNUQWDZDKPMBNK-IBGZPJMESA-N	402.325	5.473	30	20	HKED	
Cc1ccc(F)c(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	505749665	GMBHREXCBCWUKY-CYBMUJFWSA-N	420.296	5.810	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1	505958915	BZELLOYJAKTZHY-UFBFGSQYSA-N	418.143	5.302	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1	507909339	QVOHLPJUKRXLOG-UHFFFAOYSA-N	424.460	5.362	30	20	HKED	
O=C(Cc1cccc(OC(F)(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509277003	QDIWBODVGVENTR-HNNXBMFYSA-N	409.301	5.077	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2coc(C3CCCC3)n2)cc1	509546815	XCGCPFBJDMHVDC-UHFFFAOYSA-N	401.466	5.230	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510006555	PWEWXWXTFOLCJB-OAQYLSRUSA-N	407.876	5.798	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC)c2cccc(Cl)c2)cc1	510749578	KYVZQVBBSNNBCW-NRFANRHFSA-N	411.933	5.427	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(Cc1ccco1)c1ccccc1C#N	512231102	YHELBMDNLVGLHN-LJQANCHMSA-N	400.478	5.203	30	20	HKED	
C[C@H](N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C)c1ccc(C#N)cc1F	512626303	SZUXBHFBWGBWMQ-ZKTNFTSUSA-N	405.336	5.594	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Cl)cc1Cl	513347798	NLVCJNCZNBHEIT-UHFFFAOYSA-N	411.402	5.092	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(C(F)F)c2)cc1	513911718	SWQVQYLBQUMQGW-UHFFFAOYSA-N	409.411	5.869	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)s2)cc1	514502923	OJMNBEYCBVIYQM-FQEVSTJZSA-N	422.941	5.628	30	20	HKED	
COc1cc([C@H](C)NCc2cc(F)c(C(F)(F)F)cc2F)ccc1OC(F)F	516799455	ZADNOQYDHGGWLK-VIFPVBQESA-N	411.317	5.444	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	518030477	WLDCHHYYAVROEV-DQEYMECFSA-N	414.480	5.038	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1	518036329	LVNSEEYBDCCZTB-UHFFFAOYSA-N	419.506	5.705	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)cc2)c1	518256196	PPWYELUEJQIBED-ZEQRLZLVSA-N	413.477	5.392	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1ccccc1OC	518259412	KSUYQZRTYZKCTJ-ROUUACIJSA-N	411.571	6.095	30	20	HKED	
C[C@H]1CCc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)csc2C1	518516788	YKDPXISAQZFMRJ-GUYCJALGSA-N	403.532	5.358	30	20	HKED	
COc1nc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc2ccccc12	519294113	GSAOSAQUHVPDKL-UHFFFAOYSA-N	423.472	5.141	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	520532463	WAQSYKRGVXOHBL-UHFFFAOYSA-N	400.434	5.176	30	20	HKED	
N#Cc1ccc(-c2nc(Cc3c[nH]c4cccc(Br)c34)no2)cc1Cl	521940681	BPOXZJHLSQZLJZ-UHFFFAOYSA-N	413.662	5.096	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1Oc1ccncc1	522389575	CUYYQDPJYOGRFF-GOSISDBHSA-N	412.276	5.484	30	20	HKED	
Cc1nc(-c2ccco2)ccc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	522394928	LBYWOONOZSQLFZ-UHFFFAOYSA-N	411.486	5.601	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccc(Cl)s2)on1)c1cccc(Cl)c1Cl	524572701	OHGXCBUGNWDYFG-LLVKDONJSA-N	412.685	5.358	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1-c1ccccc1	531172694	WYTZYFPWHXXBPB-UHFFFAOYSA-N	421.456	5.679	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)c2ccc(CC#N)cc2)cc1Cl)C1CCCCC1	534624584	HXNQEEINMAYQJJ-UHFFFAOYSA-N	409.917	5.063	30	20	HKED	
C=C[C@H](CC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccccc1	534625629	OMYUGLHAMSWAFA-TZIWHRDSSA-N	416.521	5.206	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@H](C#N)CCc1ccccc1	537241002	KTZLLYDVCCBMOO-BEFAXECRSA-N	407.514	5.207	30	20	HKED	
C[C@H](N[C@@H](C)c1nnc(-c2cccs2)o1)c1ccc(-c2cccc(C#N)c2)cc1	541086963	SOQLYUCBVWBABK-HOTGVXAUSA-N	400.507	5.749	30	20	HKED	
COc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1C(C)C	541894816	WENYFMFMIKXDMG-UHFFFAOYSA-N	407.495	5.075	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](C)c2ncc(C)s2)cc1	542671913	XJOZAARMFCJTGQ-CQSZACIVSA-N	422.510	5.049	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(-c2cccc(C#N)c2)cc1	542923287	CYMDUSFJSZLRLI-GOSISDBHSA-N	424.504	5.235	30	20	HKED	
C[C@H](NC(=O)CCCc1ccc2nc(O)[nH]c2c1)c1ccc(-c2cccc(C#N)c2)cc1	543917878	PYHFWPUTCBGUBY-KRWDZBQOSA-N	424.504	5.007	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CCC2)cc1OC	544444489	QLVDHNDHUAKZDG-INIZCTEOSA-N	410.539	5.016	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1	547417608	SUXIKTDZCJTTIS-UHFFFAOYSA-N	418.497	5.099	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1)OCC	555598395	YKFAZUQKMRNYQI-HXUWFJFHSA-N	405.441	5.273	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl	556928066	XDJGZGVFFXCGLQ-UHFFFAOYSA-N	412.921	5.270	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](CCCC#N)c1ccccc1	559860822	ZMWXEMXLXZUQHI-OXJNMPFZSA-N	414.347	5.191	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)C2(c3ccccc3)CC2)nnc1-c1ccccc1C	561683578	KZPKBHBIECPGLF-GOSISDBHSA-N	403.551	5.221	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1-c1ccccc1	562333912	NJWAUSDCDUAEIM-UHFFFAOYSA-N	413.506	5.378	30	20	HKED	
CC1(C(=O)Nc2ccccc2OCC2CC2)CCN(c2ccc(Cl)cc2C#N)CC1	563765387	FYFFWQHUAMLZMO-UHFFFAOYSA-N	423.944	5.246	30	20	HKED	
C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@@H]1c1csc(C)n1	569157592	WFSGUCIEKHMORF-OAQYLSRUSA-N	401.539	5.391	30	20	HKED	
FC(F)Oc1cc(OC(F)F)cc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)c1	571808006	STPSNMXGCLLQFR-UHFFFAOYSA-N	423.244	5.020	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cc2)ccn1	573734112	SUGNZFZVUMLCEU-NRFANRHFSA-N	416.456	5.124	30	20	HKED	
CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	603961321	GLFQRPVOUMKVCU-GOSISDBHSA-N	402.498	5.193	30	20	HKED	
COCc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)sc2cccc(F)c12	603968458	VCJASJRXIDGABF-UHFFFAOYSA-N	422.506	6.039	30	20	HKED	
Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	603995732	WYZJHSHBSBPIJB-KRWDZBQOSA-N	415.518	5.238	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)COCc3nc4ccccc4s3)cc2)cc1	604456987	IMDRCBZJJBSSDJ-UHFFFAOYSA-N	415.474	5.116	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2ncc(C)o2)c1	606779161	KYDLTAWXDXWEHO-UHFFFAOYSA-N	402.372	5.486	30	20	HKED	
Cc1cc(C)cc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609062129	ZCRGOMODYMKOGY-UHFFFAOYSA-N	400.478	5.080	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)c1	609064887	NLIJJPKMDVOPJF-UHFFFAOYSA-N	410.395	5.337	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1	609123998	MKJNKYWKKSOPQN-QRWLVFNGSA-N	419.456	5.314	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609216971	YXHKHHSCQDTVLW-UHFFFAOYSA-N	418.522	5.547	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1	609386051	ZAAKIZIVCTUDMF-JOCHJYFZSA-N	407.564	5.072	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	609514177	GQDDLUVZMRCPIY-VWLOTQADSA-N	412.489	5.531	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3Br)c2)cc1	609642609	LLXCCTVTGDHQEV-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC(C)(C)c1cccs1	609744552	PWRWKMHPWORLDK-UHFFFAOYSA-N	405.523	5.564	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	609926883	RGQLTNGFZWQMSQ-NRFANRHFSA-N	403.551	5.963	30	20	HKED	
CS[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	610040404	OZGJCLLTRXLOJW-IRLDBZIGSA-N	406.938	6.038	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C	610053954	BQVIFGUDNBNNIX-HNNXBMFYSA-N	410.930	5.134	30	20	HKED	
COc1cc(C#N)ccc1OCCSCc1coc(-c2ccc(Cl)cc2)n1	610136737	OWPLKGWHZXOLJN-UHFFFAOYSA-N	400.887	5.187	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3cccnc3)CC2)cc1	611258554	XZGJUIVTWOGBIP-UHFFFAOYSA-N	413.546	5.265	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	611563851	ZAGMWJBAYMGNPH-KXBFYZLASA-N	401.432	5.098	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	678204452	DFPNHJYTKAKNEP-MRXNPFEDSA-N	422.344	5.680	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cn(C)c3ccccc23)cs1	726740684	OPFPBTDLMZYBBN-JLHYYAGUSA-N	415.518	5.524	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc2cc(F)ccc2s1	730416513	DXJCIRIBFUVEHG-AWEZNQCLSA-N	400.525	5.404	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2s1	730686362	OICVHWYFIKMDSG-OPAMFIHVSA-N	420.440	5.571	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)Cc3ccccc3OC)n2)cc1	730692292	XDOSGZWRAPBHJO-OXJNMPFZSA-N	420.534	5.272	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	730988934	FKNWMTPPWCQXEL-CQSZACIVSA-N	410.930	5.338	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CON=Cc1ccc(C(C)(C)C)cc1	731030472	QYVKIPDCKIDHOO-QGZVFWFLSA-N	409.555	5.368	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1Cl	731318436	MKWGPZUZYAZFHK-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	731400187	LVZUOTCNCAMWDC-OAHLLOKOSA-N	421.488	6.154	30	20	HKED	
O=C(/C(=C/c1nccn1Cc1ccccc1)c1nc2ccccc2s1)c1ccccc1	734096692	QIEGYVPKGTUNAR-FXBPSFAMSA-N	421.525	5.965	30	20	HKED	
C[C@@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	734698881	QQIUZQDJPYPWRU-CYFREDJKSA-N	417.553	5.146	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3cccn3Cc3cccs3)c2)s1	739748504	AQJRCLTVZMXYBA-UHFFFAOYSA-N	403.532	5.128	30	20	HKED	
C#CC[C@@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)c1ccccn1	741115254	WYLWWLHTHMKYNX-GOSISDBHSA-N	400.862	5.003	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(-c3cc(C)cc(C)c3)cc2)ccc1S(C)(=O)=O	741467182	KZVNTTGVHZBODT-XFFZJAGNSA-N	420.530	5.279	30	20	HKED	
N#CCCSc1ccccc1NC(=S)NCc1ccc(OC(F)(F)F)cc1	742998057	KKKUNWCCESTEJP-UHFFFAOYSA-N	411.474	5.078	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F	743096911	SOUQZFIRYUSJMQ-AOMKIAJQSA-N	405.448	5.545	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccccc1C(F)(F)F	744029136	OQWURYPIAMMERF-RDTXWAMCSA-N	416.443	5.281	30	20	HKED	
CC(C)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2	746778624	OYJAYRKUVKFGTN-JOCHJYFZSA-N	412.489	5.030	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)c(C(F)(F)F)c1	747204399	IMPQBOZBALBXAQ-HNNXBMFYSA-N	416.786	5.473	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NO[C@H](C)C(=O)Nc1ccccc1C(C)C	748100233	HNZXPBDRCNPRAC-HXUWFJFHSA-N	418.541	5.049	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(Sc2ccccc2Cl)cc1	748723361	BVLOOGGWDKSVLO-UHFFFAOYSA-N	410.951	6.359	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1	750393103	XZGTWUYUHJEYRH-OAQYLSRUSA-N	404.853	5.402	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(-c2cccs2)n(C2CC2)c1=S	751933616	KWKBDYGSMUBBOR-MOPGFXCFSA-N	421.595	5.207	30	20	HKED	
CN(C)C(=O)Sc1cccc(CNc2ccccc2Oc2ncccc2C#N)c1	753122174	LWZHANUCBPYPIX-UHFFFAOYSA-N	404.495	5.131	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3ccc(C)cc3C2=O)cs1	753900070	HJCGLVOIBQVBQR-UYRXBGFRSA-N	402.519	5.657	30	20	HKED	
CCOc1ccccc1C=NOCc1ncc(-c2cccc(Br)c2)o1	754280564	WFKOYZRANXWSKZ-UHFFFAOYSA-N	401.260	5.054	30	20	HKED	
C/C(=C\c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	759204524	AYNLRQZSHQATEG-DPCFLFMUSA-N	420.868	5.406	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2cccs2)cc1	760247182	LUNOFRYAJYHNPW-XMMPIXPASA-N	404.535	5.222	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2s1	762534844	YGBIVBOYQBIBDJ-KBPBESRZSA-N	413.593	5.667	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(C4OCCO4)c3)cc2Cl)cc1	763972934	UFFDWRLBLBZJPN-UHFFFAOYSA-N	420.852	5.302	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	771262092	USFIPRWMTZCSMW-OAHLLOKOSA-N	400.425	5.514	30	20	HKED	
C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1cccc(OCC#N)c1	772417389	LEUBVKYQDRESLP-KBMIEXCESA-N	411.505	5.200	30	20	HKED	
CC[C@@H](C)n1c(SCC(=O)O[C@H](C#N)C2CCCCC2)nnc1-c1ccccc1	776383160	MPAQANUMMYJUGE-VQIMIIECSA-N	412.559	5.024	30	20	HKED	
C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1	778416237	GHXTUTLZMMWAID-NRFANRHFSA-N	424.497	5.370	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1	780166006	VDODWIZFMCDMQN-SFHVURJKSA-N	408.461	5.082	30	20	HKED	
C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782778248	PAKZTWMGUBCQMR-IRXDYDNUSA-N	418.928	5.342	30	20	HKED	
N#CCOc1cccc(NC(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c1	787401887	BDBBFHWPLHNQFA-HSZRJFAPSA-N	417.896	5.574	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)c2)cc1	796745068	KLOXKIOVDSCTPB-GOSISDBHSA-N	410.882	5.038	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(CC[C@@H](O)c4ccccc4)c3)CC2)c1	797088817	PEYPQHPOMHZZPF-XMMPIXPASA-N	414.480	5.034	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(N(C)c3ccccc3)nc2)c2ncc[nH]2)c1	797788698	SBLPDBJEIHTBLW-JCMHNJIXSA-N	410.477	5.005	30	20	HKED	
CC[C@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	801678818	MIYCFDKFNNFADW-JQWIXIFHSA-N	414.346	5.459	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	802054129	GNSKWWNEYSZTED-DNVCBOLYSA-N	403.507	5.024	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)cc1	806200895	PLBSNVKOVHTPRW-DHIUTWEWSA-N	419.912	5.241	30	20	HKED	
O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc2nccnc2cc1F	809125749	UAHGSXMWONENQP-OAHLLOKOSA-N	418.268	5.248	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(CN3CCCC3)c2)cc1	915352134	FLZACDWDCUPRBS-SANMLTNESA-N	424.548	5.260	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1cccnc1)c1sccc1Br	915987900	MIOFNVAZWJFBNQ-FPLPWBNLSA-N	400.297	5.381	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	920113105	PUUKQMIFGZFCJS-QAPCUYQASA-N	409.436	5.126	30	20	HKED	
Cc1ccc(-c2ccc(C=Nn3c(S)nnc3COc3ccc(F)cc3)s2)cc1	920478740	DYHFLISMXNPHDN-UHFFFAOYSA-N	424.526	5.204	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cncc(C)c3)cc2)CCC1	1787428362	SCPZHLJGCODIKA-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccsc4[nH]3)CCC2)cc1	1791253301	AQNNNFKDQVVDNF-OAHLLOKOSA-N	407.539	5.189	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccccc3Cl)CCC2)cc1)C(F)(F)F	1791302397	CQPJGPMYDYAOSK-UHFFFAOYSA-N	422.834	5.206	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)CC1	1826529232	DYHRVEJHJWPDMM-HGMGIVORSA-N	420.597	5.088	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)o2)cc1	5219699	SBNKJBCMEPPZFP-UHFFFAOYSA-N	420.538	5.073	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccncc1	6907787	CYUUMMBARRHADY-QGZVFWFLSA-N	421.570	5.077	30	20	HKED	
CCC[C@H](NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1	10399242	HVYSZVAFNXXLNX-KSSFIOAISA-N	421.488	5.419	30	20	HKED	
O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#Cc2ccccc2)cc1	11527403	ZIFQWIYUZNBDNS-UHFFFAOYSA-N	406.441	5.184	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccccc1	21754689	CZTBJIGCCCPFJN-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C\C(=O)c1cc2cc(Br)ccc2o1	96765897	XLRMYZYPNUGUNC-XQRVVYSFSA-N	417.255	5.117	30	20	HKED	
N#CCCSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F	206777309	SAYDFFWGMYBMPQ-WJDWOHSUSA-N	420.296	5.523	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(-n2cccn2)c1	237454455	DPGBYMRZZFAVED-HXUWFJFHSA-N	408.505	5.174	30	20	HKED	
N#Cc1c(F)cccc1Sc1nnc(COc2ccccc2Cl)n1C1CC1	301137398	CDYGSEXROMPSQH-UHFFFAOYSA-N	400.866	5.007	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1ncc(-c2ccccc2Br)o1	303844479	CFRACZOFDWVOFS-UHFFFAOYSA-N	408.299	5.164	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC(F)(F)C1	409940825	DGFKLBHMVNCDAQ-AAEUAGOBSA-N	403.313	5.641	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)c1	429928463	UIBQACYOGJXYGH-UHFFFAOYSA-N	402.504	5.226	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(SCC#N)c3)CC2)cc1	430593328	SEPXYBSHOGEPHW-UHFFFAOYSA-N	420.578	5.236	30	20	HKED	
C=CCC(C)(C)CNC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1	432567287	FVUONVXKHKOCCL-UHFFFAOYSA-N	413.587	5.310	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)CCCC(=O)Nc1ccccc1C#N	432714416	SZVGCVSSKDICBX-UHFFFAOYSA-N	409.555	5.256	30	20	HKED	
C[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)c1c(Cl)cccc1Cl	433320263	RMZKNDHLXDEBRQ-HNNXBMFYSA-N	414.340	5.059	30	20	HKED	
CC[C@@H](c1ccccc1)N(Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)C	435137748	GNMGJKBVOGMHIA-DEOSSOPVSA-N	401.558	5.468	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	436011159	OEEKHSUFRHAXPB-OAQYLSRUSA-N	418.472	5.073	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1	438056452	MPPXLDDXJMRORW-INIZCTEOSA-N	420.538	5.903	30	20	HKED	
C=CCC[C@H](NC(=O)c1cc2ccccc2c(O)n1)c1ccc(C(F)(F)F)cc1	441575463	NROHGRIJRYOVGG-SFHVURJKSA-N	400.400	5.397	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	441838813	LTGZYQFWRYEPOY-UHFFFAOYSA-N	400.265	5.511	30	20	HKED	
COc1ccc(-c2nnc(S[C@H](C)c3cccc(C#N)c3)n2Cc2ccco2)cc1	442914147	RRAXPQIPPLDBNA-MRXNPFEDSA-N	416.506	5.320	30	20	HKED	
C=C[C@H](Cc1nc(CC(=O)Nc2c(Cl)cccc2Cl)no1)c1ccccc1	445374257	SWGDZDNNAOJORS-CYBMUJFWSA-N	402.281	5.070	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	446872893	MYEUCORFXBFVPS-FQEVSTJZSA-N	401.432	5.234	30	20	HKED	
CC[C@@H](N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1	447595090	LAAMTPHKRPRUBE-QZTJIDSGSA-N	400.366	6.311	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(F)c1F	461083286	JPOJGQQKVSOIEI-UHFFFAOYSA-N	424.378	5.009	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)Nc1sc2c(c1C#N)CCCCC2	463195974	HTDZFIPHEBPCGZ-AWEZNQCLSA-N	400.569	5.330	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1C1CC1	466742124	DVSXGKDOYNUWIC-JTQLQIEISA-N	422.341	5.552	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c2ccccc21	469502687	BJVTVTNRZXPKQA-LJQANCHMSA-N	403.551	5.199	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c(C)c2)n1	470895359	VKFOCCZEDNAJNQ-GOSISDBHSA-N	418.547	5.104	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	473827134	GFHGCUTUHABRRF-UHFFFAOYSA-N	422.287	5.217	30	20	HKED	
C[C@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1	474075303	OAGIRYSYWIVUHR-NYHFZMIOSA-N	424.317	5.489	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1	475580994	MSBUOTGXMDHYTO-JOCHJYFZSA-N	423.601	5.185	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)COc1ccc(F)cc1Br	476123627	VZDQKHLDVFKOFH-UHFFFAOYSA-N	406.295	5.458	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccnc1Oc1cccc(F)c1	479118752	CHRBRJLHRVWOBR-UHFFFAOYSA-N	423.447	5.482	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-]	483221273	YOKBCPMAMBSPLI-MRXNPFEDSA-N	420.494	5.166	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21	483362261	YBODGWCBOLEYBM-KBXCAEBGSA-N	413.518	5.501	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCCC[C@@H]1c1ccccc1	484651649	UNDAZAXUQZKATI-NRSPTQNISA-N	407.583	5.335	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(C#N)c1	495217626	KKVRAPNMTKOEGM-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
CCCC[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1cc(C)on1	495642230	XPUIVCDPKDKELF-OAQYLSRUSA-N	404.470	5.256	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C)c1ccc(C#N)cc1	498411035	SWFQVOXWFHVTPB-CYBMUJFWSA-N	411.914	5.047	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Br)cc1	499375707	RPGZPPYDNDGDJO-KGLIPLIRSA-N	403.345	5.443	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1	499802678	RUXGHVIBHRIPMI-UHFFFAOYSA-N	417.456	5.688	30	20	HKED	
Cc1cc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)s1	500758302	JYQOMBKFMCPHIL-UHFFFAOYSA-N	418.518	5.939	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1	501059813	XSYIHDKGPVNFTN-HNNXBMFYSA-N	420.321	5.491	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCC23CCOCC3)cc1Cl	502175424	VURPSFZPNKOWQB-UNMCSNQZSA-N	423.944	5.466	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1	505035395	MHTBOLWUCOKPBM-UHFFFAOYSA-N	403.526	5.707	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1F	505942200	GTNZHWKTUZLISV-QGZVFWFLSA-N	420.296	5.180	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1	510676273	WVYCUIIERZFSDX-UHFFFAOYSA-N	409.505	5.108	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)c1	511017541	PTAJQVFFFSGJNA-UHFFFAOYSA-N	403.482	5.063	30	20	HKED	
CCOc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC	512529397	SGKJUUAAASZEHB-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC	513852746	MBZPBIURKRBNQA-UHFFFAOYSA-N	422.868	5.582	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1F	514294501	RBVFOHWMYIESQW-QGZVFWFLSA-N	424.545	5.315	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(CC#N)cc1	516468951	CUOOUWFDJQIUNJ-UHFFFAOYSA-N	401.514	5.019	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cc2)nc1	518390035	BDYQIESXOWGFEY-UHFFFAOYSA-N	411.505	5.231	30	20	HKED	
C[C@@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)c1ccc(C#N)cc1	520712402	ZWPPVZPOHANCSQ-OAHLLOKOSA-N	418.543	6.149	30	20	HKED	
Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521089233	DZKBCYJTJMZPDO-UHFFFAOYSA-N	400.478	5.893	30	20	HKED	
Cc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c2CCC3)cc1	521731057	WEQZZVQSJTYZFZ-KRWDZBQOSA-N	416.550	5.174	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2c(O)n1	522017726	CJFWIPQTCJFDQM-UHFFFAOYSA-N	411.436	5.107	30	20	HKED	
C[C@@H](c1nnc(S[C@@H](C#N)C2CCCCC2)n1-c1ccc(Cl)cc1)N(C)C	524535766	RQTQUEQLBPZCPT-KSSFIOAISA-N	403.983	5.108	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(OC4CCOCC4)cc3)cc2)c1	525651761	WXUWJXHHCFYAEH-UHFFFAOYSA-N	414.461	5.161	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)C1(C#N)CC(C)C1	532078366	CLNSDYFHLXZTIY-UHFFFAOYSA-N	404.489	5.610	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)c2)cc1	532191453	YDSPEXOVEYLEQC-QHCPKHFHSA-N	423.476	5.282	30	20	HKED	
N#C[C@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc(-c2c(F)cccc2F)cs1	533927485	CJDUIQGMVVQKBL-CQSZACIVSA-N	409.392	5.266	30	20	HKED	
C[C@H]1SCCN(Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]1c1ccccc1	538719587	ULLZZMFSASRVAF-DVECYGJZSA-N	402.567	5.142	30	20	HKED	
CC(=O)c1ccc(C#N)c(N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1	541576216	AZNPQZWFJKUCLH-SFHVURJKSA-N	406.530	5.041	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCC(=O)N(CCC#N)c3ccccc3)s2)cc1	541661678	UYZMWJQGXJOTEL-SFHVURJKSA-N	418.566	5.024	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)c(Cl)c1Cl	542561846	FFADPQQVZVTPDF-VIFPVBQESA-N	414.086	5.034	30	20	HKED	
Cc1cc(-c2ncco2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	552213980	SXODZKLDLJILER-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CCOC1CC2(CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C2)C1	552361422	WCBXVBSCKIYZSI-UHFFFAOYSA-N	410.901	5.035	30	20	HKED	
CCN(C(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(C#N)c(Cl)c1	555553268	RXUBXGWLEVXORR-UHFFFAOYSA-N	411.914	5.153	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1	569749186	JWVLSXGLYJHWAN-OAHLLOKOSA-N	422.941	6.293	30	20	HKED	
Cc1cc2cc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc2[nH]1	572270115	HYJJBPDJGKJWBS-UHFFFAOYSA-N	424.504	5.443	30	20	HKED	
N#Cc1ccc(N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1[N+](=O)[O-]	579047377	BVMFRVUFDFDLHY-IBGZPJMESA-N	405.376	5.065	30	20	HKED	
C=C(C)COc1cccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c1	589382650	WCTYEUWWACYCTK-UHFFFAOYSA-N	408.523	5.167	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)s2)o1	603623534	ZIXVRIWHFRJLNO-UHFFFAOYSA-N	416.462	5.331	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OC)cc1	603690617	NDZAYTWCSQOLLV-OAQYLSRUSA-N	402.454	5.027	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccc(F)cc2s1	603739126	SWVYCOZCDXYIAC-UHFFFAOYSA-N	403.438	5.660	30	20	HKED	
Cc1nc(NC(=O)CCn2c3ccccc3c3ccccc32)sc1SCC#N	603775525	NKLBPRNBXWSZIT-UHFFFAOYSA-N	406.536	5.204	30	20	HKED	
CSCc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	604444943	CGGIMXXRHRWRGV-AWEZNQCLSA-N	400.475	5.441	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C	604511406	YMDVQVLJRNJONV-UHFFFAOYSA-N	417.412	5.270	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209656	HFRDOHNZKIVLJW-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccccc3SCCC#N)sc2C)cc1	609375684	MUVSKLKBEKGQCB-UHFFFAOYSA-N	408.548	5.990	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1C	609535302	HCHVONFUNKXEQY-VWNXMTODSA-N	412.537	5.147	30	20	HKED	
CN1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21	609974217	URYYJJIILBZHJZ-UHFFFAOYSA-N	417.896	5.491	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F	610057872	LTNISDUDASUTII-UHFFFAOYSA-N	420.865	5.165	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1	610402864	SMSRSDAZCSXYPP-HIFRSBDPSA-N	424.957	5.765	30	20	HKED	
CC(C)(C#N)CCCS(=O)(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	610482616	HKLNZYOWQHAHPD-UHFFFAOYSA-N	410.366	5.828	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	642157005	HUIORKFNBYWTST-RKDXNWHRSA-N	407.276	5.345	30	20	HKED	
C[C@@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	674513871	SNLDDUXUWFVCDH-OPRDCNLKSA-N	418.328	5.235	30	20	HKED	
CCC(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	679978669	HZDNKUYJXHBTEI-AWEZNQCLSA-N	402.397	5.398	30	20	HKED	
CC1(C)Cc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)sc2-c2ccccc21	726858172	FXRMCYDVGCHBMM-SFHVURJKSA-N	400.503	5.210	30	20	HKED	
COc1cc(C(C)=NNc2ccc(OCC(F)(F)F)cc2)ccc1OC(F)F	727262230	NYXMAGJWVREKJA-UHFFFAOYSA-N	404.335	5.074	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1cn(C)nc1-c1ccncc1	727654261	JZUHLGJEDLQYEM-YVMONPNESA-N	420.925	5.464	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3C)o2)cc1	728062496	LGMBTPRVWBCKKV-LJQANCHMSA-N	424.504	5.977	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cc(Cl)ccc1F	728062670	SHFBJMQKFSTGDI-OAHLLOKOSA-N	423.875	5.369	30	20	HKED	
O=C(/C=C/c1cccnc1Cl)c1ccc(Br)cc1Br	728695204	SBVQUEUGNZMTQH-ZZXKWVIFSA-N	401.485	5.156	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1	731252070	QQVQSJVEMYOIJR-AREMUKBSSA-N	424.500	5.022	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](O)c1ccc(F)cc1	732412936	FEKYIMWLGDIJIB-BJOHPYRUSA-N	424.316	5.107	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732495900	JZHVVOHEPNVEKR-HOCLYGCPSA-N	420.481	6.062	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(CCC(C)C)cc2)ccc1OC	733627477	LDMKWMXUVIPXAU-NRFANRHFSA-N	409.530	5.286	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1)c1ccncc1	734665338	MBVVFSBOMWTPCY-DHIUTWEWSA-N	405.929	5.635	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2csc(-c3ccc(Br)s3)n2)c1	737541839	UZVKQOFHVRZHBO-UHFFFAOYSA-N	417.353	5.282	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NC(c2cccs2)c2cccs2)c1	738478633	TYZCRAAIPCZQHA-MRXNPFEDSA-N	411.552	5.079	30	20	HKED	
Cc1ncc(CO)c(C=Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1O	739427350	UBXSHXMCYGMDOG-UHFFFAOYSA-N	402.372	5.150	30	20	HKED	
Cc1ccc(C(=O)OCc2cc(C#N)ccc2F)cc1NC(=O)Nc1ccccc1	741351093	JOXGRTQCDGBQSZ-UHFFFAOYSA-N	403.413	5.007	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)c1ccncc1	745826683	BVSXABAKFJOGGM-NRFANRHFSA-N	417.475	5.872	30	20	HKED	
Brc1cccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1	745987496	FWHFFIQTEWEZAA-UHFFFAOYSA-N	418.298	5.143	30	20	HKED	
CCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccc(C(F)(F)F)cc1	746137995	JGAKNQYIXIWPIC-INIZCTEOSA-N	417.456	5.013	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1	751099143	WBOQLLSXQUXUNR-XUZZJYLKSA-N	403.526	5.119	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1ccccc1OCc1cn2ccccc2n1	754725208	QFEXLXQEVVDEBI-UHFFFAOYSA-N	411.383	5.345	30	20	HKED	
CCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnn1CC(C)C	756642506	KRNCWFVWEUMMRL-UHFFFAOYSA-N	424.492	5.378	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl	760797085	GHRGCMVBGGTXKR-UHFFFAOYSA-N	410.832	5.066	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1cc(Br)ncc1F	762423063	DDXOEMZYBXLHEO-FPLPWBNLSA-N	420.669	5.027	30	20	HKED	
COc1cccc(-c2nc(/C=C/C(=O)c3cc(Br)ncc3F)cs2)c1	762423321	PJJAXXKXROIBDR-AATRIKPKSA-N	419.275	5.011	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)c(OCc2cccnc2)c1	766489592	FRRSAOPDYVSIQP-PKNBQFBNSA-N	422.484	5.627	30	20	HKED	
CC#CCCCC(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1	767662500	CJMGSXLKJXGCFI-UHFFFAOYSA-N	424.444	5.083	30	20	HKED	
N#CCCn1cc(CNc2ccc3c(c2)OC2(CCCC2)O3)c(-c2ccccc2)n1	770513899	VGTOBWJKWDEMDG-UHFFFAOYSA-N	400.482	5.117	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1	772958980	JPGNPNPVPDPBCH-HUUCEWRRSA-N	411.958	6.086	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3ccc(Br)cc3n2C)cc1	776723156	BVWRJUNQWSROBD-GFQQVXNGSA-N	416.706	5.364	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)Cc1ccccc1CC#N	777037842	NDMWJDMRYLZWPD-UHFFFAOYSA-N	402.519	5.235	30	20	HKED	
Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cnn1C	778517402	LHBCLWMAFYINJG-TWGQIWQCSA-N	414.292	5.184	30	20	HKED	
CCOc1ccc([C@H](NCc2ccc(OCC#N)cc2)c2ccccc2Cl)cc1	779092477	BOKWUOMDMWCYFJ-DEOSSOPVSA-N	406.913	5.520	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(CSC2CCOCC2)c1	780579567	OEZCTCQVRZILSH-MRXNPFEDSA-N	411.527	5.034	30	20	HKED	
CC(=NOCc1ccc(CF)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C	784050427	WGCOJQKHLKOTBX-UHFFFAOYSA-N	406.383	5.005	30	20	HKED	
C[C@@H](CN(C)C(=O)Nc1ccccc1O[C@H](C)C#N)Oc1ccc(Cl)c(Cl)c1	787431557	DOAKVAAQOZHQTI-KGLIPLIRSA-N	422.312	5.215	30	20	HKED	
CC(C)(C)OC(=O)N1Cc2ccc(COC(=O)C[C@H](CC#N)c3ccccc3)cc2C1	796866322	PLUSACIIGZEYIP-FQEVSTJZSA-N	420.509	5.068	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C	798052661	RDIWMLXBMFKKAB-UHFFFAOYSA-N	415.449	5.284	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)C(C)(C)c1cc(F)cc(C#N)c1	803925390	LCNXHFHQYBATEA-CVEARBPZSA-N	410.489	5.059	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C1\C[C@@H](C(=O)O)c2ccccc2C1=O	806560202	JHPBSIPQFMLGCL-RDOKFVIMSA-N	400.478	5.008	30	20	HKED	
CSc1ccccc1NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	808359847	MWBUXDPMRFCJFF-ZDUSSCGKSA-N	406.960	5.225	30	20	HKED	
CCC(=O)Nc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	813438494	MTPKIOFXPDUUAP-UHFFFAOYSA-N	413.477	5.047	30	20	HKED	
CC1CCN(c2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1	814298040	OAYKDJCRZOPASS-XMMPIXPASA-N	404.558	5.157	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)nc1	814637249	XDLJHXZISUIAJV-JOCHJYFZSA-N	400.482	5.739	30	20	HKED	
CC(C)N(Cc1ccc(NCc2cc(C#N)ccc2N(C)C)cc1)C[C@H]1CCCCO1	864009949	DECBCIIBAATVMV-RUZDIDTESA-N	420.601	5.016	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2ccccc2o1)c1nc2cc(C(F)(F)F)ccc2s1	915104123	LLCDCHILNSHVBB-GFCCVEGCSA-N	415.396	5.265	30	20	HKED	
COc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	915656307	NZJAEZKGORSRGQ-HXUWFJFHSA-N	420.896	5.194	30	20	HKED	
CC(C)Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916888299	VPLNJVADKVEOIU-GOSISDBHSA-N	402.466	5.161	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccc(OC(F)F)cc2)cc1	916948678	JGXLYHDKNRXGNQ-FOIQADDNSA-N	414.452	5.082	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CCC#N)CC(C)C)cc12	917364348	XGWHEAAMGKNNOL-UHFFFAOYSA-N	414.962	5.120	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c(OC)c1	917557918	ITRNSKCXHZHPGU-KPKJPENVSA-N	422.506	5.049	30	20	HKED	
C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CC3CCC(C)(C)CC3)cc2)CCC1	1790570474	IAYUTNUSLJHAKU-MRXNPFEDSA-N	402.604	5.045	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cscc2C)[nH]n1	1819554258	OHGCFRQTYAUMHW-GOSISDBHSA-N	414.575	5.078	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CC=C)C(=C)C)CC1	1828827064	QXWWDLIEDIADHJ-TZRRMPRUSA-N	412.618	5.143	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2C(F)(F)F)n1	21514594	NPTFDYWNBZNFGQ-UHFFFAOYSA-N	419.350	5.030	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	46002220	CGUZNUBJPDWRIL-UHFFFAOYSA-N	417.468	5.730	30	20	HKED	
C=CCn1c(SCc2noc(C(C)C)n2)nc2cc(-c3ccccc3)sc2c1=O	108751152	SAGLNZHYPPQERV-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1	116160684	XFPFOSFMCSNISO-DHIUTWEWSA-N	414.505	5.529	30	20	HKED	
COc1ccc(-n2c(Sc3ccc(C#N)cn3)nnc2-c2ccccc2Cl)cc1	301064603	FXKIDZLEOUZPPL-UHFFFAOYSA-N	419.897	5.014	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1	301476973	TXNQRVKGLVTZMA-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
C[C@H](Nc1nc(N[C@H](C)c2cccc(C#N)c2)ncc1Cl)c1cccc(C#N)c1	301711373	HZNCHSBIVHWNEJ-LSDHHAIUSA-N	402.889	5.220	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cccc(Cl)c1	303286485	LMIGUIFCBFXELI-AWEZNQCLSA-N	410.930	5.338	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2nc(-c3c(F)cccc3F)cs2)c1	303410599	ABRHAVYGIOPGHA-UHFFFAOYSA-N	413.449	5.148	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1	303936262	XXBSSQWOPDFHNT-GJZGRUSLSA-N	406.473	6.089	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	426514426	OASAIKTYVMBVLV-GFCCVEGCSA-N	413.733	5.594	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cc(Cl)ccc2Br)c1	430314231	IXENQPRDAQCIHA-UHFFFAOYSA-N	407.695	5.162	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(SCC#N)c1	430689831	DPPWYOFXDOXGGC-UHFFFAOYSA-N	418.566	5.177	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	432600654	JQXXRYBIPWVMLA-OAQYLSRUSA-N	415.497	5.326	30	20	HKED	
CN(Cc1ccccc1)c1ccccc1NCc1cn(CCC#N)nc1-c1ccncc1	435128048	BEKPABHPJZQXDP-UHFFFAOYSA-N	422.536	5.107	30	20	HKED	
N#Cc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)c1	435997786	DCPFTPXSXSXUTC-VKAVYKQESA-N	406.445	5.224	30	20	HKED	
CCc1ccc(OCc2nnc(S[C@@H](C#N)CC)n2[C@@H](C)c2ccccc2)cc1	436043537	SFWMKXKVAFQPJB-LAUBAEHRSA-N	406.555	5.423	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(OCc2cccs2)c1	436338460	CPZFGDSFQACBRQ-XZOQPEGZSA-N	402.519	5.239	30	20	HKED	
C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(Cc2ccccc2)no1	439559394	BQDDAXQMZKBZPV-GOSISDBHSA-N	410.477	5.284	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1C(F)(F)F	443883617	VXOKZGAHWKGSQN-UHFFFAOYSA-N	418.465	6.183	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Br)s1	443892397	VHBBOOUHYANZDC-MRVPVSSYSA-N	403.223	5.143	30	20	HKED	
N#CCCSc1ccccc1NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1	445834606	URNIDXCVYOAXQZ-UHFFFAOYSA-N	404.457	5.673	30	20	HKED	
Cc1nc(CC(C)C)c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	446800952	ZRVMKVYUZPIKEL-GFCCVEGCSA-N	417.506	5.542	30	20	HKED	
CC(C)(CCC#N)CNCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	462678787	HGKKROUPLACAOZ-UHFFFAOYSA-N	401.510	6.086	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(C#N)c(F)c3)c2)cc1	464635043	BPXQJNPMOBORAW-UHFFFAOYSA-N	416.452	5.050	30	20	HKED	
COc1ccc([C@@H](NC(=O)NCc2ccc(C#N)cc2)c2ccccc2Cl)c(C)c1	465515187	FONAANIINAZCJL-HSZRJFAPSA-N	419.912	5.118	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H](CC3CC3)c3ccc(Cl)cc3)ccc21	469209017	JBFPUGVXOWBUGB-QFIPXVFZSA-N	407.945	5.876	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1cccc(Cl)c1F	473438798	WTYUFWMZCNEAMR-AWEZNQCLSA-N	419.953	5.194	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)n1	474445159	KRFGTGAYCINEKH-OAHLLOKOSA-N	400.425	5.841	30	20	HKED	
CC[C@H](C)n1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C	481007773	HOFRWJMKCXQCJW-AAEUAGOBSA-N	400.454	5.054	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482407960	BGWMEHIVBAIBTI-KWQFWETISA-N	410.280	5.339	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C	482765685	AUAGGZCIGUQKQP-AWEZNQCLSA-N	408.889	5.732	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1OCC	483226083	JMWNWBASKBXUEU-INIZCTEOSA-N	423.900	5.351	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	485382371	JZWAFFCQBDBTCB-UHFFFAOYSA-N	408.424	5.356	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4c[nH]c5ncccc45)CC3)c2)cc1	486917445	QKIAPEOODIIDRP-UHFFFAOYSA-N	422.488	5.247	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(Br)cc2)nnc1-c1ccncc1	487158217	QRVDYLXQEHYUGA-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc2nccnc2c1Br	490773081	SXUVFOKKZDYKDW-UHFFFAOYSA-N	411.303	5.003	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cc(Cl)c(F)c(Cl)c3)CC2)cc1	494912912	YLVOIRNKWPDBKC-UHFFFAOYSA-N	408.260	5.079	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C	497638414	LDKVBVNIZKLFSC-MRXNPFEDSA-N	413.518	5.352	30	20	HKED	
C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	498094172	IOLJTUSTECUKRK-XJKSGUPXSA-N	400.466	5.245	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1c(Cl)cccc1Cl	499829927	DGHQRUICQXJADJ-XEZPLFJOSA-N	424.125	5.240	30	20	HKED	
N#Cc1cc(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)cnc1C(F)(F)F	501729861	PRWPNKFDPDUKKQ-UHFFFAOYSA-N	409.795	5.199	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1	502603633	PITRJUPDHAPRIZ-UHFFFAOYSA-N	420.513	5.076	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	504972456	GRRVOEZHBGUKKI-HSZRJFAPSA-N	405.929	5.417	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1O	505898384	IMZVLLSTFKMOGK-LJQANCHMSA-N	421.884	5.031	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C	509245330	HOBBJFGJYHKXLD-UHFFFAOYSA-N	405.420	5.418	30	20	HKED	
CCN(C(=O)CSCc1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1	509561348	QORSCUHTXAUZSH-OAHLLOKOSA-N	417.372	5.164	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc3ccccc23)cc1	510532707	HBGYMBFZYWAUHK-IBGZPJMESA-N	413.521	5.537	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCc4cc(F)ccc43)c2)cc1	510826553	OTCHZBIKNNEGJH-XMMPIXPASA-N	415.468	5.280	30	20	HKED	
C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(Oc2ccc(C#N)cc2F)CC1	512796602	IRPBUFZCPGJTCH-CQSZACIVSA-N	414.431	5.047	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	512839033	QNCIIUWSZSCZDF-CYBMUJFWSA-N	414.252	5.130	30	20	HKED	
C=CCn1c(SCc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1OC	513282030	FRHWAASHNCANHT-UHFFFAOYSA-N	401.919	5.094	30	20	HKED	
C[C@@H](c1ccccc1)N(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CC1	513518940	GZOFAOUUFZVYNN-INIZCTEOSA-N	402.523	5.363	30	20	HKED	
COc1ccc(Nc2ncc(C#N)cc2Cl)cc1OCc1ccc2ccccc2n1	513650693	QGTINDJPODLCJQ-UHFFFAOYSA-N	416.868	5.486	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3coc(-c4ccccc4)n3)c2C#N)C1	514844653	LWDUJJVTXOSWCJ-MRXNPFEDSA-N	419.550	5.607	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	516760614	ZAFGFWQGKNNDOH-INIZCTEOSA-N	422.447	5.095	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1	516847093	TWTPNPPTBIELRH-FQEVSTJZSA-N	424.529	5.867	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cnn1-c1cccc(Cl)c1	517303521	ACBIBLSAAQWWIC-LBPRGKRZSA-N	410.930	5.144	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	517599907	QHPWNQUKRZBRMG-LADGPHEKSA-N	419.544	5.017	30	20	HKED	
C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccccc1Sc1ccccc1C#N	517649088	CIWGWGNOZSUXRW-AVRDEDQJSA-N	414.530	5.312	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1nc2c(s1)CCCC2	518169273	KSVVGTDOMSMPQW-CABCVRRESA-N	406.473	5.363	30	20	HKED	
CC(C)(C)N1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	519917644	AQNHHGPARUKGSG-NRFANRHFSA-N	424.976	5.334	30	20	HKED	
CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)n1	519977960	NVKVXUHIYWPPMF-UHFFFAOYSA-N	418.522	5.051	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(F)cc(Br)c1	520940311	NCZLWTOPQJZAOG-LBPRGKRZSA-N	422.323	5.304	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N[C@H]1CCCC[C@H]1C	521733101	CCFHBRSGLMRWKV-YCPHGPKFSA-N	413.509	5.206	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1Cl	521815220	RPEIIJMSMHVTHW-GOSISDBHSA-N	420.940	6.008	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(C(F)(F)F)c1	523111333	MPMDOBZDAKWUGB-OAHLLOKOSA-N	416.378	5.150	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1ccccc1F	524439794	JCXZUOCIEZVINL-SFHVURJKSA-N	417.484	5.810	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	524679997	DRCLYMGOLVXWSS-DNQXCXABSA-N	419.484	5.949	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	525503689	QSSZNUZRUQHCBL-SECBINFHSA-N	402.800	5.489	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(C(C)(C)C)cs1	531514211	NLOXBURVGMFWHF-CQSZACIVSA-N	419.641	5.564	30	20	HKED	
COc1ccc(CNc2ccc(-c3ncc4n3CCCC4)cc2)cc1OCCCC#N	532886972	QDCOGITVCQICQI-UHFFFAOYSA-N	416.525	5.190	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3cccc(NC(=O)c4ccoc4)c3)c2)c1	532889051	BDFAJPWLBPBEBO-UHFFFAOYSA-N	423.472	5.595	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cn(CC(C)C)nc1C(F)F	534192486	BJFYZGZMWVIOSI-UHFFFAOYSA-N	417.378	5.313	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	536914171	GYTOUMMHLJWRJW-SFHVURJKSA-N	414.509	5.172	30	20	HKED	
COc1cc(CN[C@@H](C)c2c(F)cccc2OC)ccc1OCc1cccc(C#N)c1	538260201	ZYIIRHYEWRQSNA-KRWDZBQOSA-N	420.484	5.144	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)cc2)CC1	539721302	KNSXDLZMPLKHCJ-UHFFFAOYSA-N	409.514	5.695	30	20	HKED	
Cc1ccccc1-c1nnc(SCc2ccc(CC#N)cc2)n1Cc1ccco1	541295795	HRXRKQVOOZVOKL-UHFFFAOYSA-N	400.507	5.253	30	20	HKED	
CCOc1ccc(-c2nc(CNc3ccn(-c4ccc(C#N)cc4F)n3)cs2)cc1	543861406	OJFDVEISNALFBN-UHFFFAOYSA-N	419.485	5.017	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1cc(C#N)cs1	553850505	JVTRKIAQKKMLCV-LLVKDONJSA-N	418.385	5.665	30	20	HKED	
C=CCn1c(SCc2nc(-c3c(F)cccc3F)cs2)nnc1-c1ccco1	554764071	SNCUJYWYWGKNQP-UHFFFAOYSA-N	416.478	5.418	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1	555138106	IIANLMUPUAFYKH-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc2)ccn1	558512889	ZRSXCWZVZHVPNP-UHFFFAOYSA-N	418.884	5.595	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c1	561069555	MSDWKNHOHUWJJE-FQEVSTJZSA-N	406.873	5.094	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1	561797176	MGXDJBUIHXJOGC-OAGGEKHMSA-N	413.509	5.072	30	20	HKED	
CC(C)OCc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1O	569039050	PVPGRLABQJYDJO-UHFFFAOYSA-N	417.465	5.625	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)c1cccc(C#N)c1	600850135	SPYGHBWVRAASQJ-OAHLLOKOSA-N	409.411	6.002	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1	603980815	VYGPRNYPJSMMSW-UHFFFAOYSA-N	415.456	5.187	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOC2CCCCC2)cc1Cl	604084733	GDODPCYYTQWTOY-OAQYLSRUSA-N	411.933	5.466	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nccs3)cc2)c1	608802394	BEKILTCBUMDQJD-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
C[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)C1CCCC1	609164434	OEFCDVBPEBRZEY-IIBYNOLFSA-N	423.944	5.019	30	20	HKED	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	609403115	UFIVCNSSFWSAJV-AWEZNQCLSA-N	422.381	6.299	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)o1	609507839	BIQNTXWMUYHEGQ-GOSISDBHSA-N	406.869	5.013	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1F	609754947	SBKJFDZZLBUKPY-UHFFFAOYSA-N	407.420	5.270	30	20	HKED	
C[C@H](Sc1nnc(S[C@@H](C)c2ccc(C#N)cc2)n1C)c1ccc(C#N)cc1	609813834	XOPNWGPOCZFJRL-GJZGRUSLSA-N	405.552	5.265	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1	609909458	JQCLCRTYUNTINO-WZONZLPQSA-N	414.480	5.295	30	20	HKED	
CC(C)c1cnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1C(C)C	610034349	CBUAABIZKCRVML-MRXNPFEDSA-N	402.539	5.154	30	20	HKED	
C[C@@H](NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1	610408187	MRAVMOFYGJQZRT-FOIQADDNSA-N	401.432	5.575	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cc2ccccc2n1CC#N	610728362	OPNAGGXMPHIHTA-QGZVFWFLSA-N	414.534	5.430	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1	612305291	YDRZJQJFVFBNCG-NRFANRHFSA-N	417.431	5.442	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1	612893478	PIBVCJOUNZBQFH-LJQANCHMSA-N	401.853	5.285	30	20	HKED	
O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccccc2F)CCCC1	618295174	GDXTTZUTCUBRAG-CHWSQXEVSA-N	411.361	5.227	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(O)ccc1C(F)(F)F	622283918	HGWQTVYLVICUTM-UHFFFAOYSA-N	417.227	5.701	30	20	HKED	
C[C@@H](CC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)c1ccccc1C(F)(F)F	622566131	FATVVDXQXZHATG-DYZYQPBXSA-N	407.329	5.600	30	20	HKED	
O=C(NCC1CCC(F)(F)CC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	669668356	IDNFVNYXVNLJSH-GDNZZTSVSA-N	410.349	5.021	30	20	HKED	
C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1OC(F)F	675739224	WFAXNFWLHFCMOX-SVDPJWKOSA-N	423.319	5.987	30	20	HKED	
CCOc1cc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC(F)F	678207895	HQFVCCQTLFIOCU-RYUDHWBXSA-N	421.328	5.249	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1nc2cc(F)ccc2s1	681719512	LIQRWWHOIGGPAN-VIFPVBQESA-N	402.863	5.030	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1cccc(C#Cc2cccs2)c1	684681840	BWHADHJBHRKTQC-NRFANRHFSA-N	404.539	5.123	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(N=Cc3cc(Br)ccc3O)ccc21	726429471	OLRSYSNLSLKSCI-UHFFFAOYSA-N	417.303	5.203	30	20	HKED	
Cc1ccc(N(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)Cc2ccco2)cc1C	728571394	CZKDEBRAIXWTJE-QFIPXVFZSA-N	422.488	5.140	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2ccccc2o1	730398803	NVMKMSUSWDZQCV-GCJKJVERSA-N	402.450	5.677	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sccc3SC(F)F)n2)cc1	730691282	IHCDXBJQYRUICS-GFCCVEGCSA-N	422.503	5.685	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1nc2cc(Cl)ccc2s1	730922531	UKUBUPQXRWQCLB-IPMKNSEASA-N	402.906	6.083	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(N2CCCCC2)cc1	731040490	VRPPVXYHAARGIJ-MOPGFXCFSA-N	422.598	5.368	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	731225563	FYXOLXQFEOPJSP-UHFFFAOYSA-N	423.582	5.551	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(COc4ccccc4)c3)cc2)nc1	731977389	QIESEUQJXJUJNR-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c1	733807017	PVXYWLKJJJSPSM-LADGPHEKSA-N	417.484	5.095	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@@H]2c2ccccc2)cc1	734644990	XPHCYKCIVFKNLJ-BJKOFHAPSA-N	413.546	5.664	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	738894451	FFFVFHYMVFAARF-WIOYSNFSSA-N	409.533	6.060	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1cccc(N2CCOC2=O)c1	743444351	KOLXXOYEBHFYMD-UHFFFAOYSA-N	420.416	5.108	30	20	HKED	
N#Cc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c(Cl)c([N+](=O)[O-])c1	746486333	XTQLMVJBEOVJLR-UHFFFAOYSA-N	419.249	5.149	30	20	HKED	
COc1cc(C=NNc2cccc3ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F	747060264	NPPSUROOTLTVKQ-UHFFFAOYSA-N	419.359	5.144	30	20	HKED	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	748833445	BGORJZCTDXMGMZ-ZUOKHONESA-N	421.950	5.067	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	752178993	USSPSZVWABFQOZ-LSDHHAIUSA-N	406.404	5.824	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccco3)cc2)c1	758605034	WQEGFTXNEPMABL-SIKLNZKXSA-N	417.465	5.064	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)[nH]c12	762062843	ABKQHFGWPWWIFL-UWJYYQICSA-N	407.473	5.082	30	20	HKED	
C=CCC(CC=C)c1nc(-c2ccc(CNc3ccc4nc(O)[nH]c4c3)cc2)no1	762178336	QUYSQVGDKYGBEY-UHFFFAOYSA-N	401.470	5.166	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cc1	763370057	KTSVHZQVWRJVIX-ZDUSSCGKSA-N	420.435	5.170	30	20	HKED	
CSc1cc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c(Cl)cc1Cl	764310454	JUVNBVYSBLDFJE-UHFFFAOYSA-N	416.673	5.401	30	20	HKED	
N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	764475432	MQZVGKAUMYACBC-IBGZPJMESA-N	401.535	5.022	30	20	HKED	
COc1ccc(C#N)cc1CSc1nn(-c2ccc(Cl)cc2)c(=S)s1	771903841	GZECPBDXZKAGKA-UHFFFAOYSA-N	405.957	5.489	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccccc3)cc2)ccc1OC	772979865	OFLPWWTULCZDHI-CYFREDJKSA-N	400.522	5.894	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(F)cc2Br)ccc1OC	772985999	MMRFIOPZHSXZIS-XJKSGUPXSA-N	421.310	5.129	30	20	HKED	
CC(C)n1ncc2cc(CNCc3ccc(-c4ccccc4C#N)cc3)c(Cl)nc21	773426876	IFTFMNRBGLSKKA-UHFFFAOYSA-N	415.928	5.494	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cs1	776729112	PRMBBWLNHAAVPQ-JXMROGBWSA-N	405.454	5.043	30	20	HKED	
C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc2ncsc2c1	776880732	CONATBBVVQYNRA-CQSZACIVSA-N	418.547	5.457	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)OCc3ccc(C4(C#N)CC4)cc3)cs2)cc1	777142602	QRWFJCYPLVHPEF-UHFFFAOYSA-N	404.491	5.121	30	20	HKED	
Cc1c(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cnn1C1CCCCC1	781471529	UZWLLDPOJZIFIZ-UHFFFAOYSA-N	422.316	5.025	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3F)nc2)c1	786207292	ZPKBKBZENKXPDG-SFHVURJKSA-N	420.444	5.016	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	789451531	XSNKILZQCXIWJH-QGZVFWFLSA-N	401.551	5.012	30	20	HKED	
C[C@@]1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C[C@H]2CC[C@H]1O2	791775793	MVNUPHKVMCNWST-KEXODWOOSA-N	407.322	5.251	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12	792592315	CQAKSQSKZOOYLE-UHFFFAOYSA-N	402.523	5.093	30	20	HKED	
C=CCOc1c(Br)cc(CNc2ccc(F)c([C@@H](C)O)c2)cc1OCC	796519005	PDMCTRXJUBFGJK-CYBMUJFWSA-N	424.310	5.217	30	20	HKED	
N#CC[C@@H](CC(=O)Oc1cccc(CNC(=O)Nc2ccccc2)c1)c1ccccc1	796904502	LPYLYULPWJOIPQ-NRFANRHFSA-N	413.477	5.001	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1	797567141	DMLMDLSLHAOLGE-GRTQGXPSSA-N	416.546	5.866	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl	806678386	GCCSONZJMXCYOE-OAHLLOKOSA-N	415.752	5.208	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccco1)c1ccc(C)c(C)c1	915850659	LNFYDVPWQLXGTF-UHFFFAOYSA-N	418.493	5.169	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1	916682765	CKJKWKOBSFYBHS-UHFFFAOYSA-N	417.531	5.324	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2ccccc2Cl)o1	916916298	RESGDNXBWUYGTF-GOSISDBHSA-N	414.848	5.714	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1cccc2ccccc12	916917798	JRLVSILPZQPVBG-QFQMRYFISA-N	424.378	5.099	30	20	HKED	
Cc1cccc(C)c1OCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916975792	FPWZPJYJTAFAOU-GOSISDBHSA-N	410.926	5.726	30	20	HKED	
O=C1/C(=C\c2csc(COc3ccc(Cl)cc3)n2)COc2c(F)cc(F)cc21	920065834	CHVJWPHPAAUGFL-WZUFQYTHSA-N	419.836	5.312	30	20	HKED	
O=C(Nc1cccc(C(=O)N2CCCSC2=Nc2ccccc2)c1)c1cccs1	921189733	ZYPYTJZNAJOPNB-UHFFFAOYSA-N	421.547	5.267	30	20	HKED	
COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)cc(Br)c1OC(F)F	921269070	JAGGAJVLZHYQPO-MLPAPPSSSA-N	409.226	5.190	30	20	HKED	
CC1(C)CCc2nc(O)c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2C1	1356059132	IWJCAPJZEWCDOE-CQSZACIVSA-N	411.914	5.055	30	20	HKED	
C[C@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1	1790424863	JPJAILKLQGOZFE-WNSKOXEYSA-N	421.928	5.005	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1	15241281	MCPRSHCOUYKGRN-INIZCTEOSA-N	423.929	5.035	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc2c(c1)OCO2	56800274	WAAMOZFAIXFUMI-UHFFFAOYSA-N	415.449	5.052	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	58412412	CRJQGLUHLXQMFZ-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1	58907668	AFEKJKPXFVBXQI-UHFFFAOYSA-N	422.529	5.251	30	20	HKED	
C=CCN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1	71846265	ONRWMFSNUDFKMI-QHCPKHFHSA-N	418.924	5.420	30	20	HKED	
COc1cccc2cc(C(=O)/C=C/c3csc(-c4ccc5c(c4)OCO5)n3)oc12	303128345	ARVXHUXPUCWSTI-VOTSOKGWSA-N	405.431	5.190	30	20	HKED	
N#CCCC[C@H](NC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1	432478712	OJVKGOOWSQMPLT-PMACEKPBSA-N	403.448	5.457	30	20	HKED	
Cc1cc(C)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(Br)c1	432871847	MZEPMSXJUQUKBR-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	435364733	QHDYXBONAOGXQI-ZDUSSCGKSA-N	416.934	5.080	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	437458967	BGPWTJCKGSWKNX-UHFFFAOYSA-N	404.441	5.667	30	20	HKED	
CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1	438561681	MAVSFBVITSNIMX-HSZRJFAPSA-N	417.553	5.328	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	439521188	VNEWBBKGSZGOMN-INIZCTEOSA-N	405.527	5.434	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC=C(c2cccc3ccccc23)CC1	460963992	QCLVPEHDBYFPTB-HSZRJFAPSA-N	400.526	5.153	30	20	HKED	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1	464893191	IXFKFNMBXIFEFG-IIBYNOLFSA-N	404.466	5.245	30	20	HKED	
CCOc1ccc(Cl)cc1[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469236801	MDYPUBYMBVXKAU-INIZCTEOSA-N	411.933	5.495	30	20	HKED	
Cc1cccc(C)c1Oc1ccccc1NC(=O)N(CCC#N)Cc1ccccn1	473790342	PWUJLRNXFMSRAH-UHFFFAOYSA-N	400.482	5.439	30	20	HKED	
COc1ccc([C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccc(F)cc2)cc1	475176637	TULXRNDMXTWJGD-BWKNWUBXSA-N	402.469	5.127	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1	475564635	NDSDJTQXZGQXJB-MRXNPFEDSA-N	422.504	5.919	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC	475578164	MQAGGGLQQNBAAM-HSZRJFAPSA-N	416.569	6.277	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	475897636	INFPSYJGHQBVOG-BWKNWUBXSA-N	417.940	5.760	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)C[C@@H](CC#N)c3ccccc3)s2)cc1	476095047	JEFQXVDCHBFGKP-DENIHFKCSA-N	417.578	6.034	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C	476506443	FOODRDFYZPHMFK-NRFANRHFSA-N	423.605	5.761	30	20	HKED	
Cc1nc([C@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)oc1-c1ccc(Cl)cc1	477154803	ZCMNNVNNBGSFIQ-SFHVURJKSA-N	420.944	5.054	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(C)cc(C)cc1Br	478125069	ZDFBJASYHXKHEG-UHFFFAOYSA-N	419.367	5.454	30	20	HKED	
COc1ccc(-c2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)nc2)cc1Cl	481144365	ORSNXWGIYMCRQQ-GOSISDBHSA-N	405.885	5.437	30	20	HKED	
C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C)nnc1-c1ccccc1C	481335936	FFMPLJOPNLJGAY-UHFFFAOYSA-N	412.584	5.157	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1ccc(Cl)cc1	483239152	PQFVHWPHCZUHFA-HXUWFJFHSA-N	414.896	5.687	30	20	HKED	
N#Cc1cccc(-c2nnc(CNC3(c4cc(C(F)(F)F)ccc4Cl)CC3)o2)c1	484987513	MXOGPNPFGVFUJZ-UHFFFAOYSA-N	418.806	5.059	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	485407574	TUDCFRSYAQMHME-UHFFFAOYSA-N	415.921	5.786	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	486249888	KBVJBKHXSQZZRK-UHFFFAOYSA-N	412.898	5.716	30	20	HKED	
CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	486812027	YGBXGSRJCAGURV-JOCHJYFZSA-N	401.466	5.159	30	20	HKED	
N#CCCC[C@H](NC(=O)c1nc2ccccc2cc1Br)c1ccccc1	487250505	KJXRCXDTRBTZNZ-SFHVURJKSA-N	408.299	5.162	30	20	HKED	
Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1	487327852	XEHZCRJGFJFYGQ-UHFFFAOYSA-N	407.442	5.247	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1	490545405	IFNLRFRYTFGFCW-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	494079454	NWNWPERDQROJJU-UHFFFAOYSA-N	404.401	5.175	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(Cl)c2OCC(F)F)C2CC2)cc1	497545340	JBETUHTXASHBOU-UHFFFAOYSA-N	405.832	5.052	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c3c(C)noc3n2)cc1	498024998	FIYRIYMXKFORSM-QGZVFWFLSA-N	416.506	5.577	30	20	HKED	
Cc1cc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)s1	502218761	ASCMNZCVLXKJLA-QGZVFWFLSA-N	419.550	5.893	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)c1cccc(F)c1	502817886	QATBHCKCDLRYET-UHFFFAOYSA-N	416.452	5.186	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1	505522357	CBINEJSFZXWYKV-QHCPKHFHSA-N	406.551	5.634	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)c2ccccc2)CC1	508913541	PFKIZGBHAOXAEB-UHFFFAOYSA-N	424.907	5.023	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC=C(c4ccccc4Cl)CC3)o2)cc1	509763568	SCVNWNKTNGPYIL-UHFFFAOYSA-N	418.880	5.313	30	20	HKED	
COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccccc1Sc1ccccc1C#N	512351641	CQLJDBFNBSNNMV-HXUWFJFHSA-N	418.493	5.274	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ncc(C(F)(F)F)cc1Cl	514771187	WGICLQNMKMNTLY-LLVKDONJSA-N	420.909	5.511	30	20	HKED	
CC(C)(C)c1noc(CCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)n1	515624931	IEKOQHDPHMSZIM-UHFFFAOYSA-N	420.538	5.027	30	20	HKED	
CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	518254659	DVCCHJTYBKSWGP-GSJFWJNXSA-N	421.303	5.917	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	519027998	XHCAUVZWJYLBDP-FQEVSTJZSA-N	404.988	5.397	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cs2)cc1	521293430	QYLOVXUYGQPUDW-NRFANRHFSA-N	403.551	5.340	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1	524132755	NWYJBSMRAKIOGO-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
CC(=O)c1ccc(Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c([N+](=O)[O-])c1	524494359	YFODIHNVXUOMPQ-UHFFFAOYSA-N	405.385	5.131	30	20	HKED	
COC(=O)C(C)(C)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	525088355	JYVHFPIJTWZZAP-UHFFFAOYSA-N	413.477	5.005	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1Cl	534875369	ZGUREFKCKVKDSC-SFHVURJKSA-N	406.873	5.094	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C(F)F	535535259	JTVCVICJAQWVDY-ZDUSSCGKSA-N	407.490	5.372	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	539048305	DHUHWKLISXSFKZ-QRWLVFNGSA-N	420.475	6.031	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccc(F)cc1	539677848	FMEXPTAQJQZHQW-HNNXBMFYSA-N	410.861	5.073	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1	543645664	HGTMOXRGJWPJOO-AOYPEHQESA-N	416.496	5.286	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C	549387307	GAXSTJYMUWDGHD-UHFFFAOYSA-N	400.457	5.288	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(F)(c3cccnc3)CC2)cc1	551328058	HCIZAWTWYSNFSA-UHFFFAOYSA-N	417.509	5.205	30	20	HKED	
O=C(O)C[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1	567479083	MOLYFWBZXPLWFG-OAHLLOKOSA-N	409.301	5.169	30	20	HKED	
Cc1ccc2snc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1	580101512	VPHYPOPBKHEGQO-UHFFFAOYSA-N	413.502	5.502	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)s1	581637765	NSZIQONWGXFICM-UHFFFAOYSA-N	407.495	5.249	30	20	HKED	
O[C@]1(C(F)(F)F)CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	582090012	GWTOVMNPBZAODZ-CYBMUJFWSA-N	409.292	5.004	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3cccnc3N3CCCCC3)no2)c2ccccc21	584197374	IWQLFALFNFEETQ-UHFFFAOYSA-N	412.497	5.047	30	20	HKED	
COc1cc([C@@H](C)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)cn1	584798165	FUKQMYGBBRGOPC-BMIGLBTASA-N	410.333	5.592	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3nc4ccccc4cc3Cl)cn2)c1	589381213	LBQCANVJXMKVFX-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#Cc1cc(NC(=O)c2conc2C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1	589434435	ZGWHSSIALUMFJJ-UHFFFAOYSA-N	413.355	5.487	30	20	HKED	
N#Cc1cccc(C(=O)N(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)n1	589742416	VMQYEHZYSCWFFA-UHFFFAOYSA-N	404.882	5.063	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc5cc(F)ccc5s4)cc3c2C1	592974553	UBURCBWBFWRUPW-PXAZEXFGSA-N	403.482	5.532	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1Cl	603759162	VOJHPHKUDHIXCB-GHTZIAJQSA-N	402.881	5.185	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1sc(-c2ccccc2)cc1C#N	603968310	KSRWKDYTIJHYRK-UHFFFAOYSA-N	406.555	5.327	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)cn2)cc1	604086895	PVRRWIVLOTYGHX-NRFANRHFSA-N	402.429	5.254	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)c1	608805125	KTMFEWIKQMQLTA-QGZVFWFLSA-N	404.466	5.008	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccs1)C[C@H]1CCCO1	609402805	BDPDTNGKCXSQJM-DLBZAZTESA-N	415.584	5.213	30	20	HKED	
CC(C)N(C)Cc1ccccc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	609437281	YFQWBPQKTDZGIN-SFHVURJKSA-N	410.587	5.243	30	20	HKED	
CSCc1c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)oc2ccccc12	609589339	UKWBIEFAUSONHA-HNNXBMFYSA-N	405.306	5.597	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609641891	IJXWBIVUEBMYMW-UHFFFAOYSA-N	409.489	5.061	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1	609980666	REFOEZZELBXUSO-CLOONOSVSA-N	406.526	5.034	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)c1cccc(C#N)c1	610360810	HNMZQLKLIPHJBM-ZDUSSCGKSA-N	411.914	5.047	30	20	HKED	
C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(C4CCCCC4)csc3n2)c1C	614108337	GQPULAHQJYIEAN-UHFFFAOYSA-N	409.555	5.474	30	20	HKED	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5ccc(OCC#N)cc5)(C4)C2)C3)cc1	727677586	IFZAQEGCSMEXSH-AZZUFQGZSA-N	414.549	5.052	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	728175285	OLZFZFWELDJYCW-MRXNPFEDSA-N	405.498	5.324	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc2cc(F)ccc2s1	730418043	WXSINCPGYXHWEM-GOSISDBHSA-N	406.482	5.154	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	730898469	BTQGTDRIRUFCND-AREMUKBSSA-N	413.521	5.779	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C	731070991	ZOIUKSJMIFHDKY-ZBTGYSDGSA-N	422.550	5.059	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1cccc(Cl)c1Cl	731195264	CLMSAYXXHPOXPH-MRXNPFEDSA-N	423.390	5.857	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2ccc(F)cc2)ccc1OC	733230636	PJQNOIZXWCWBIO-SFHVURJKSA-N	424.497	5.174	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2)cs1	734965883	OYHKSOQORMBCKV-RBSFLKMASA-N	414.864	5.722	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)F)c(Cl)c3)C2=O)cc1	735704201	SUVHXIIUJFMOFO-VIZOYTHASA-N	422.865	5.219	30	20	HKED	
C=C(Br)CNC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	741072915	LKGKFEOLNZIGJQ-UHFFFAOYSA-N	403.651	5.025	30	20	HKED	
CC(=NNc1cnc2ccccc2n1)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743438756	QIDFHUTXVACPEM-UHFFFAOYSA-N	411.296	5.267	30	20	HKED	
Fc1ccccc1C1CC(=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1	743440400	LSDGCZHKAAPITE-UHFFFAOYSA-N	401.367	5.042	30	20	HKED	
CC(C)CN(CCC#N)C(=O)c1cccc(OCc2ccccc2Br)c1	751379634	HGHLEPABPSGBTE-UHFFFAOYSA-N	415.331	5.040	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c(F)c1	755229921	JAIXOVLCSLGAST-NSHDSACASA-N	413.276	5.375	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1	757847240	JNEJSZZSDUTITL-FQEVSTJZSA-N	405.514	5.254	30	20	HKED	
CC(C)(C)Oc1cccc(CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)n1	758510257	QEBBALWBSRHWIB-SFHVURJKSA-N	405.523	5.191	30	20	HKED	
CC(C)(C)c1cnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)s1	759719648	ZUHVUAAJNMJYDZ-AWEZNQCLSA-N	413.593	5.533	30	20	HKED	
CC(C)(C)OC(=O)C1(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCCC1	764052981	NVBVUGJJXPMVRD-OAQYLSRUSA-N	419.525	5.118	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)c(Cl)c([N+](=O)[O-])c1	764309900	GUSKGWPJRRJGKW-UHFFFAOYSA-N	413.220	5.088	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C(C)C	766335759	IJGWPKOMVFQDMC-QFIPXVFZSA-N	415.541	5.962	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	766845938	HKJYQVVSIHYLBA-PRWOLLLXSA-N	420.246	6.018	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)Nc3ccc(C#N)cc3Cl)cccc21	768996807	ZJWQRDFEGVRZFV-UHFFFAOYSA-N	412.877	5.153	30	20	HKED	
CCSc1cccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1	769777109	NBCMIXHHKVTATG-UHFFFAOYSA-N	405.548	5.428	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)c1	776142909	CIGFRCQIDZYOLA-GGAORHGYSA-N	420.557	5.008	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1	782803586	PKMNCTBMUAUVDC-UHFFFAOYSA-N	407.429	5.081	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nnc(C4CC4)n3C3CC3)cc2Cl)c1	782890181	DRUVRNUNXRTQRJ-UHFFFAOYSA-N	419.916	5.207	30	20	HKED	
Cc1nc(SCC(=O)[C@@H](C#N)c2nccc3ccccc23)c2c(C)c(C)sc2n1	792093405	IAYCFBUHTMQMJT-QGZVFWFLSA-N	418.547	5.133	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nccc4ccccc34)cs2)cc1	792095199	UWJXIBIJFDFREA-OAQYLSRUSA-N	413.502	5.176	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1nccc2ccccc12	792107086	UMTZEKSXLMOOIC-KRWDZBQOSA-N	411.324	5.274	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)sc2ccc(C#N)cc12	796757308	VRAVONMOTLVYKJ-AWEZNQCLSA-N	406.417	5.316	30	20	HKED	
N#CC1(CCCOC(=O)COc2ccc(-c3ccccc3)cc2Cl)CCOCC1	800119766	XSXUYRUQGARIGC-UHFFFAOYSA-N	413.901	5.030	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1	813214914	RZRLSNCNJDEEHH-NRFANRHFSA-N	424.422	5.407	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C2(C(=O)OC(C)(C)C)CCC2)no1	904829183	XFTDGLOHLKVADC-UHFFFAOYSA-N	424.419	5.084	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1	915087796	XOFPFUSJFNLHEH-DENIHFKCSA-N	402.881	5.185	30	20	HKED	
CCCCC1CCC(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)CC1	916652697	DPULLXRFGSVPSW-VMBOVVBDSA-N	411.571	5.449	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1	916844636	RXRXXFKUNCMRPI-GXMNPTEKSA-N	423.316	5.490	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc2c1CCCC2	916905979	QZANOHAYFDFZBX-GOSISDBHSA-N	416.502	5.380	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1	916950563	VDVXXLZWCKYYCK-KSSFIOAISA-N	420.900	5.205	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995710	GJTVZPKPMXTJOC-AFCDSYGPSA-N	424.312	5.878	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccccc1OCc1ccccc1	919652979	LSYXMPFVTDXIAH-GOSISDBHSA-N	401.466	5.051	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1	920267721	IYUAZEBQAWQKBE-QFBILLFUSA-N	405.523	5.281	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Cl)cc1	920807140	YUVXWPKESIOJEQ-CQSZACIVSA-N	416.880	5.896	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1csc(-c2ccccn2)n1	921000008	ZTQBOYCORJEZOX-UHFFFAOYSA-N	414.943	5.044	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccs3)cc2)CCC1	1788230280	LZXHKCMBECHVDW-NRFANRHFSA-N	408.567	5.193	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1	1791301055	MEIXQWHTTOPBAT-FGTMMUONSA-N	416.512	5.158	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc3ccccc3c1)C2	1792570857	APVXXOFSCSDYCR-BKFWDETESA-N	418.581	5.013	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccccc2CC)cc1	11153769	WPEBDLQIHRHMRS-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cccc(C)c1	11268898	CETSNKDFBUPZNT-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CC(C)c1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1SCC#N	21437262	XYCIXAQAVDTQNQ-UHFFFAOYSA-N	422.579	5.342	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1	23776702	QBONRCJIDLPUKD-MDWZMJQESA-N	418.880	5.447	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(COCc2ccco2)c1	46683717	ICNAKQAAFNNVAF-UHFFFAOYSA-N	408.457	5.787	30	20	HKED	
Cc1nn(-c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)c(C)c1Cl	55568505	RQSFMQDSBLFAES-UHFFFAOYSA-N	408.889	5.077	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C	56213737	HNTNQGSBBFIFQG-UHFFFAOYSA-N	409.486	5.093	30	20	HKED	
CN(CCc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	56661947	SCFUWDPXROJHOS-UHFFFAOYSA-N	417.484	5.177	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	63251384	YQVHDZMICDVACA-UHFFFAOYSA-N	410.477	5.031	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	303312797	PIOCDQDJTWWOQO-UHFFFAOYSA-N	416.481	5.638	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](CC(=O)O)c3cccc(Cl)c3)c2)c1	426808677	ATXGVAJRONULPW-QHCPKHFHSA-N	420.896	5.096	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1	432701342	YJADPSFECHCZJX-NRFANRHFSA-N	410.477	6.051	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	435673461	VCYMNKZSPMBWQO-LJQANCHMSA-N	423.900	6.014	30	20	HKED	
CCN(C(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1)[C@@H](C)c1ccc(C#N)cc1	436140469	IZTNPSPDGUOJAG-SFHVURJKSA-N	412.489	5.021	30	20	HKED	
C=CCn1c(S[C@@H](Cc2cccc(Cl)c2F)C(C)=O)nnc1-c1cccs1	436192998	GYQBZTAFMLEICF-INIZCTEOSA-N	421.950	5.278	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1Cl	437726835	LCWVVXBLULVXOL-YJBOKZPZSA-N	407.823	5.662	30	20	HKED	
C=CCC(CC=C)C(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1	442413660	CEDVGTYNQKZPAY-UHFFFAOYSA-N	403.295	5.285	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)[nH]c2ccc(Cl)cc12	443580298	RQUOZEVYXFDQAB-UHFFFAOYSA-N	416.868	5.749	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(CCCO)[C@H]1CCCc2ccccc21	443908446	OTXRJSFFDNAHSX-GCJKJVERSA-N	423.582	5.232	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)c2ccccc21	444305217	YWQDDUNHTRKPPM-REWPJTCUSA-N	405.542	5.089	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CCCC1(C)C	444903239	XEUOAKBENNGFCJ-DJUQAAIZSA-N	424.610	5.734	30	20	HKED	
CC[C@@H](N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccc(C#N)cc1	447531592	QHYWUNHYPOUDBH-NOZRDPDXSA-N	404.485	5.545	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCSc2ccccc21	460173090	YPJAJLXZRAKHHN-QFIPXVFZSA-N	414.530	5.664	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)c(OCc2csc(Br)c2)c1	460737385	DNOPFLDWIRGXDL-ZDUSSCGKSA-N	421.360	5.020	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1	460957260	HTESNYFSVBSQAO-RLFYNMQTSA-N	408.468	5.168	30	20	HKED	
CSc1cccc([C@@H](NC(=O)c2cccc(CC#N)c2)c2ccc(F)c(F)c2)c1	464131953	QKKPAARTDUEZBZ-JOCHJYFZSA-N	408.473	5.272	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1cc(C(F)(F)F)ccn1	464398810	BOHCRUOXOYZJJD-FQEVSTJZSA-N	417.390	5.806	30	20	HKED	
Cc1nc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)oc1-c1ccc(Cl)cc1	464902247	RAMONRHFXBQYMU-UHFFFAOYSA-N	410.260	5.192	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N1CCC(C)(C#N)CC1	467283883	YMIMHLVZGHJVKD-UHFFFAOYSA-N	410.905	5.058	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(Oc3ccccn3)c2)c1	467419279	MZRORXUXUGOADV-FQEVSTJZSA-N	414.509	5.238	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	468325729	DMKDQWFZZXRSPT-QUURXOELSA-N	416.569	5.678	30	20	HKED	
N#CC[C@H](CC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	476481915	LNMDUBVCTVDWBK-GOSISDBHSA-N	409.942	5.210	30	20	HKED	
COc1cc(C#N)cc(Br)c1OCc1coc(-c2ccc(Cl)cc2)n1	479937533	DWOFRLNHECTFOX-UHFFFAOYSA-N	419.662	5.217	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1cnc2ccccc2n1	483223719	WDFYDKLOHCDGOP-ZDUSSCGKSA-N	412.499	5.458	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(-c4n[nH]c(C5CC5)n4)c3)c2)cc1	483668301	NFZYHZLXCMSQEP-UHFFFAOYSA-N	421.460	5.265	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccccc1	484507337	XBTGXKNTLKVPGR-AWEZNQCLSA-N	423.542	5.642	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Sc4ccccc4C#N)cc3)[nH]c12	484557546	PQYMHHDVASWADK-IBGZPJMESA-N	408.486	5.384	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CCCC#N)c1ccccc1	487218322	KJXDZTAWLSDOMO-UZLBHIALSA-N	423.969	5.920	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc(C(F)(F)F)ccc1C#N	488742326	FEPBKISQWFGXPC-UHFFFAOYSA-N	421.488	5.950	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N(C)c3ccccc3)C(C)C)o2)cc1	489787234	CYCFHMBYLFWRBZ-FQEVSTJZSA-N	423.538	5.081	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(F)c(F)c2)nnc1[C@H]1COc2ccccc2O1	497669850	AWZNVLWRKPIAJO-BFUOFWGJSA-N	415.465	5.108	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C	498384505	DWADHJBDQSMBRO-JOCHJYFZSA-N	419.525	5.025	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4c(cnn4CC(C)C)c3)n2)cc1	499164721	REASEXDEDYFWRT-LJQANCHMSA-N	415.522	5.009	30	20	HKED	
C[C@@]1(F)CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)C1	501368965	VNRTTXBJWMENEK-XFGXVNAUSA-N	415.393	5.069	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3Br)c2)cc1	501454220	VAAUFHRTFCAJMA-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1	502240428	HQTYHHMEPTZGAE-LBPRGKRZSA-N	400.878	5.462	30	20	HKED	
C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	503145747	BOTLOWXLDLHUPW-NTKDMRAZSA-N	421.541	5.048	30	20	HKED	
Cc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cccc1OCC(F)(F)F	503471815	IOBSZEPOBBBJDE-UHFFFAOYSA-N	415.415	5.129	30	20	HKED	
Cc1nc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)sc1SCC#N	504787461	TTWJVIBTUWRXQH-UHFFFAOYSA-N	420.972	5.025	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1Br	505579332	QBSWPUYOOXKPAB-CYBMUJFWSA-N	416.319	5.142	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC(C)(C)C)CC1	508829639	ZIVSCASZRHCMKT-MRXNPFEDSA-N	418.969	5.041	30	20	HKED	
CC[C@@H](CC1CCCC1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	510215143	HSQPAEKHJMCUKW-KRWDZBQOSA-N	400.573	5.247	30	20	HKED	
Cc1cccc([C@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(F)(F)F)c1	510465775	WCDSDVAZIDQWPG-YWZLYKJASA-N	421.488	5.221	30	20	HKED	
CC(C)c1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C(C)C)c1	511214438	PJLBCZGSYOAXKS-UHFFFAOYSA-N	404.558	5.155	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cs2)cc1	513672119	OICJWUFOATVCSB-KRWDZBQOSA-N	400.507	5.310	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3-c3ccccc3)n2)cc1	517800809	JYEDSNXTMDOLTL-IBGZPJMESA-N	400.459	5.569	30	20	HKED	
Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)s1	518117778	ZPYMJYBORKWQGU-UHFFFAOYSA-N	420.503	5.190	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	518753144	JKRRETJHQCTEEO-HOTGVXAUSA-N	413.543	5.371	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc2ccccc2c1)C1CC1	520198059	YXXWXHQWEYLWFG-GOSISDBHSA-N	415.562	6.431	30	20	HKED	
Cc1ccc(OCCN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	520595433	BLHIKTPBAXQSIE-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	522821707	GBOCUEBPHRUFRN-UHFFFAOYSA-N	407.857	5.438	30	20	HKED	
C[C@@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1F	530492898	OAOXLVDFSPHBBS-QRQCRPRQSA-N	424.317	5.489	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1	531080661	SUWCTBYCRSMTJM-INIZCTEOSA-N	417.896	5.003	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](CCC#N)c2ccccc2)cc1OC	533037788	BGOIPWJIJZCFIQ-IBGZPJMESA-N	415.331	5.157	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C1CC1	535680565	OBISPSZKQMAASG-INIZCTEOSA-N	415.497	6.039	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)Cc3cnc4ccc(C#N)cn34)s2)cc1	536675387	JEKFBCKSVCVKNF-KRWDZBQOSA-N	401.539	5.139	30	20	HKED	
C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Oc2ccccc2)c(F)c1	538168648	VIPAIMJMAVYBNZ-INIZCTEOSA-N	414.440	5.390	30	20	HKED	
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC1CCC(C#N)(c2ccccc2)CC1	538832001	KPRYGCXXULIZMA-UHFFFAOYSA-N	415.459	5.103	30	20	HKED	
C=CCC[C@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	539328899	READFHBMTLXVHB-SJORKVTESA-N	422.413	5.103	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H]2C2CCOCC2)c1	539701212	MEJLXHWMUOIYBL-NRFANRHFSA-N	410.901	5.035	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(C(F)(F)F)cc1	540433911	BCRDFBHEQQSRFB-SFHVURJKSA-N	421.850	6.206	30	20	HKED	
COCC[C@@H](Cc1ccco1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	542351892	OGSJKHAFBBZEMS-IBGZPJMESA-N	419.481	5.021	30	20	HKED	
FC(F)(F)c1cc([C@@H](NCC2CCOCC2)C(F)(F)F)cc(C(F)(F)F)c1	543981056	ZERCYYBBOVESFB-CYBMUJFWSA-N	409.292	5.344	30	20	HKED	
C[C@H](CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	544235767	JEWGRLGEGPKSNY-BEFAXECRSA-N	424.957	5.719	30	20	HKED	
C=CCCCN(C)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)n1C[C@H]1CCOC1	549641694	SCVZYBLADHGMCP-WOJBJXKFSA-N	420.557	5.010	30	20	HKED	
C=CCOc1ccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1	554389610	RTXJZTNNGPXDLS-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1	554603950	DJMIYUWJCGJMSE-INIZCTEOSA-N	407.543	5.136	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)cc2)cc1	558584310	XZCKBIDFBRQNQL-WIOPSUGQSA-N	412.489	5.053	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)cc(F)c2Br)sc2c1CCCC2	560003409	DGRUHFIHLUYNCI-UHFFFAOYSA-N	413.699	5.306	30	20	HKED	
C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1	562260411	UAVWMDPIANEGJN-AWEZNQCLSA-N	400.313	5.039	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	580169264	LIGHICWLOYMVPN-ZDUSSCGKSA-N	409.305	5.363	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1ccccc1	583236152	FKSPVWZQIDILDJ-NRFANRHFSA-N	407.489	5.563	30	20	HKED	
N#CCCCCCC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1	588149456	LHXZBTUHBMVBAD-UHFFFAOYSA-N	415.990	5.187	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c(Cl)c1	589988684	YRGGMTPEXRKUOO-MQMHXKEQSA-N	424.125	5.304	30	20	HKED	
Cc1nc(C(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)ccc1C#N	603565779	REEAJUKBBBGFLY-HNNXBMFYSA-N	409.942	5.250	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)o2)cc1	603622953	AFSMDJSUHXMOPX-UHFFFAOYSA-N	424.460	5.280	30	20	HKED	
CC(C)COc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	604004067	RBXZKGUQCTXGEX-UHFFFAOYSA-N	414.505	5.619	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2)cc1	609176481	JFPFNQFQHCJQQP-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
N#CCn1c(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cc2ccccc21	609647080	UEPLCSGGYHOPKP-UHFFFAOYSA-N	418.456	5.758	30	20	HKED	
CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1	609754996	WEKAZFDWIUIOQU-OAHLLOKOSA-N	407.495	5.086	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCCc2ccc(O)cc2)c1	609827558	SYAAIOJPLOEZNX-UHFFFAOYSA-N	406.869	5.072	30	20	HKED	
Cc1oc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C	613347308	YWZZWCAMOFZRPF-CQSZACIVSA-N	405.306	6.125	30	20	HKED	
CCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	613403952	XSOJMLWYRXWROS-GFCCVEGCSA-N	421.305	5.500	30	20	HKED	
C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@]2(CCOC2)C1	670201627	YZNUQOACFGQRAC-NRFANRHFSA-N	414.962	5.006	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1	682777225	IJTCKFBQHUYPFS-RDGATRHJSA-N	406.570	6.170	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)Nc3ncccc3OCCCC#N)cc2)n1	726957488	GPFOVFXARLDEKE-UHFFFAOYSA-N	424.551	5.074	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	728547855	SUAQISFGDKIWLI-UHFFFAOYSA-N	410.445	5.412	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	728619124	BDFLEZVHXIGBJQ-UHFFFAOYSA-N	419.239	5.335	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1	728767106	VFURMAODQLIUQC-UXHICEINSA-N	416.443	5.413	30	20	HKED	
COc1ccc2oc(C(=O)/C=C/c3cc4cnn(C(C)C)c4nc3Cl)c(C)c2c1	729149890	GOBRQNKKHBZAAW-FNORWQNLSA-N	409.873	5.625	30	20	HKED	
Cc1cccc2c1CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2	729557596	UYUJGCNGKDEUNW-QHCPKHFHSA-N	415.924	5.894	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccccc3SCC#N)s2)cc1	730793198	PRSZWIHWFQHYAQ-HNNXBMFYSA-N	407.564	5.534	30	20	HKED	
CCN(C(=O)c1ccccc1COc1cccc(C=O)c1)[C@@H](C)c1ccc(C#N)cc1	731616316	JKLIZLITXHMUAR-IBGZPJMESA-N	412.489	5.173	30	20	HKED	
Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	732377876	YLBBPUSOHYPJOF-GOSISDBHSA-N	414.461	5.037	30	20	HKED	
Cc1c(F)cccc1-c1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)o1	734304502	LSPNSVQJSJUCAP-PKNBQFBNSA-N	405.469	5.251	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc2ccc(SC)cc2)cc1	741111468	PDYVJUWXHICQOC-GCKMJXCFSA-N	410.539	5.037	30	20	HKED	
CC(=NNc1cccc2ccccc12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741760956	FAFMWNAKIZMWMY-UHFFFAOYSA-N	406.429	5.012	30	20	HKED	
O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CCc2cc(SC(F)F)ccc21	743055935	NTFVHTMDZKNRQL-LFIBNONCSA-N	410.445	5.796	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(-n2cccn2)cc1	743095824	MPTRVPOOCYHBJT-CLOONOSVSA-N	421.504	5.410	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030364	FNPJHJYDOLEZRO-IUODEOHRSA-N	407.272	5.049	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccccc1C#N	745723968	HMSNXGMOFNAOJS-UHFFFAOYSA-N	400.482	5.281	30	20	HKED	
CC(C)(C)OC(=O)NC1(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)CCC1	747297542	JZWTZSRYWKWBFX-UHFFFAOYSA-N	411.527	5.063	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1	752313090	YMMIORJNBVYYAY-INIZCTEOSA-N	418.946	5.072	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)c2ccccc2SCC#N)cc1	752764006	HFIHXPISZWCLAL-QGZVFWFLSA-N	404.560	6.408	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	753397614	OWVGLVSQQOOUSJ-BBRMVZONSA-N	412.461	5.467	30	20	HKED	
CCn1nccc1/C=C(/C(=O)Nc1c(C)cc(C)cc1Cl)C(=O)c1ccccc1	753710916	GIIBPAYOXLGTSK-XMHGGMMESA-N	407.901	5.078	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(-c2c(F)cccc2F)c1	757409440	MRMQQHHPOBJJCG-KRWDZBQOSA-N	410.807	5.246	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4c(F)cccc4C3)c2)cc1	757879020	ORJRQIWJIIELQC-UHFFFAOYSA-N	415.468	5.061	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	759213171	HYEYCAXRVLSGCM-IFXJQAMLSA-N	410.926	5.527	30	20	HKED	
C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	759462529	JBMBXVDCVBSZBH-SMDDNHRTSA-N	418.852	5.385	30	20	HKED	
CCOCCC1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCCC1	763474711	CZQPKEPSRVSOPI-QGZVFWFLSA-N	402.947	5.627	30	20	HKED	
C=CCn1c(COc2ccccc2)nn(CN2CCC[C@H]2c2ccsc2)c1=S	764890610	YJGVAMVJPNNTHF-IBGZPJMESA-N	412.584	5.035	30	20	HKED	
C[C@@H](NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccc(OCC#N)cc1	769688672	BSFAFRTVGCRNEL-XLIONFOSSA-N	403.551	5.169	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC1(CSc2ccccc2)CC1	770838631	KGYFCJSEZKRTBQ-NRFANRHFSA-N	420.578	5.421	30	20	HKED	
CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc(C#N)c(Cl)c1	774150868	YGVDPPXVGDRQCZ-UHFFFAOYSA-N	423.514	5.887	30	20	HKED	
COC(=O)[C@@H](N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccc(C#N)cc1	776034052	PBSGWTYIYIVBLE-MOPGFXCFSA-N	422.834	5.185	30	20	HKED	
C[C@H](N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccc(OCC#N)cc1	776171772	PVTGDWGGACTKGY-RNODOKPDSA-N	408.851	6.063	30	20	HKED	
COc1cc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)c(SC)cc1OC	777469380	DCIQVQIWIZZDCN-IZZDOVSWSA-N	409.429	5.052	30	20	HKED	
CCCCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1OC	780668868	AGBJZBOPILWPJL-DLBZAZTESA-N	411.502	5.048	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	780677265	UYANPKXLXQNRCO-IVZQSRNASA-N	423.875	5.681	30	20	HKED	
Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)c1	786541593	QAJWKIRWUGNZMX-NRFANRHFSA-N	400.478	5.017	30	20	HKED	
N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nccc2ccccc12	792096719	QCEHCNDXIIABNO-LJQANCHMSA-N	416.868	5.137	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1cnc2ccccc2n1	792099796	GVAFDPPARQQPLK-INIZCTEOSA-N	418.909	5.190	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(C3CC3)cnc2Cl)cc1	793129849	JIMUZBZVGTVASN-UHFFFAOYSA-N	417.896	5.510	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1	794822306	BFTQGUITMWESAI-VNCLNFNDSA-N	416.915	5.274	30	20	HKED	
N#CC[C@@H](CC(=O)OCCCC(=O)c1ccc(Br)cc1)c1ccccc1	795986964	TYHGNUSOZRHHLV-SFHVURJKSA-N	414.299	5.043	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C2(c3cc(F)cc(Br)c3)CC2)n1	797093941	MTMOUOMPUUXPSX-CQSZACIVSA-N	407.308	5.076	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F	804359551	VVLUNLNNQSSQQR-JTQLQIEISA-N	400.372	5.630	30	20	HKED	
C[C@@]1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)OCCc2sccc21	810158050	HCFQNNHFRIKWHX-RDPSFJRHSA-N	417.534	5.013	30	20	HKED	
Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)cc1	810280027	BHTKXTYKXIFGNO-UHFFFAOYSA-N	410.477	5.375	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)c1=S	915208873	IXLLYUQHTMKBGD-NLWGTHIKSA-N	412.603	5.134	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OC(F)F)c1	916908869	OAQFENOMOHWJHN-GOSISDBHSA-N	422.387	5.041	30	20	HKED	
O=C(Nc1ccc(SC(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	919652789	IFVHZZVQPPUUJA-RKDXNWHRSA-N	422.341	5.596	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc4ccccc4c3)n2)cc1	920141626	GIIYLMVGKKSNAG-NRFANRHFSA-N	414.486	5.227	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(F)cccc2s1)c1nc(-c2c(F)cccc2F)cs1	920807057	WWNNMQDFHJUQTJ-NSHDSACASA-N	414.433	5.932	30	20	HKED	
CC1(C)CCC(CC(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)CC1	1790570365	BKBGFLSFRQGWCL-UHFFFAOYSA-N	421.585	5.421	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830254228	XOCNBANZXVGNBN-DHIUTWEWSA-N	400.607	5.121	30	20	HKED	
C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1	1831854611	IZPSDFMQNLNDLH-HSZRJFAPSA-N	416.650	5.406	30	20	HKED	
C=CCNc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)s1	5782657	KHQNUMTYSXVGEX-GOSISDBHSA-N	410.568	5.225	30	20	HKED	
N#CCCSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F	8749935	SAYDFFWGMYBMPQ-LFIBNONCSA-N	420.296	5.523	30	20	HKED	
CCOc1cc(/C=C(/C(=O)OCc2ccc(C#N)cc2F)c2ccccc2)ccc1O	10874006	HISDHVBZNRYSPO-CIAFOILYSA-N	417.436	5.086	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)ccc1OCC#N	16393595	NTEDUSJKCUCLPQ-GORDUTHDSA-N	412.239	5.002	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3n2C)n(C2CCCCC2)c1C	16619714	ZBKBTZAPAAHRFI-UHFFFAOYSA-N	421.570	5.099	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(C(C)(C)C)cc1	22795242	NAGWSIXGQAJGPM-UHFFFAOYSA-O	401.983	5.030	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2c1C(=O)CCC2	51157131	LVGZRSXMXLNMPZ-CQSZACIVSA-N	410.882	5.374	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sccc1Br	56470372	LFTOBHAUJOALCE-UHFFFAOYSA-N	413.296	5.735	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)oc2c(Cl)cccc12	59265092	FVHSBFKEFNSAIM-UHFFFAOYSA-N	406.791	5.471	30	20	HKED	
COc1ccc(C)cc1-n1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)n1	65552197	UEIKRBBABLXEKN-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
N#CCCSc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1	78668731	JETXAMWWNHKVIQ-UHFFFAOYSA-N	418.518	5.289	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(CCC#N)Cc1cccnc1	216576156	DJGSCSZCBQPZRX-UHFFFAOYSA-N	420.516	5.090	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(Br)c2)cc1	255935604	RGGKITBWJRJOFZ-UHFFFAOYSA-N	423.335	5.865	30	20	HKED	
Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1Cl	301757146	BSVOROQZRSGSTJ-INIZCTEOSA-N	417.317	5.681	30	20	HKED	
C=CCOc1ccc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)O)cc1Cl	409707502	QTVKLCFVGPAIJU-LFIBNONCSA-N	420.896	5.137	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431854132	MNNUZILASLCKQW-RXVVDRJESA-N	418.566	5.914	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cccc1-c1ncco1	432769760	PLSGNWUZEYGTRA-UHFFFAOYSA-N	410.433	5.958	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CCC2)n1	435130672	UCVHTYUSSFVRLB-UHFFFAOYSA-N	404.495	5.316	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	438245232	HXJVVBHUPOVBDW-HFTRVMKXSA-N	419.978	5.113	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)cc1	438834577	AELMMUQBDLLXCM-NTKDMRAZSA-N	413.521	5.767	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)Cc1nnc(-c2cccc(C#N)c2)o1	440324139	ITTXNVZCZIYMRL-UHFFFAOYSA-N	423.451	5.134	30	20	HKED	
C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(-c2cccnc2)cc1	444283943	SJACOYNKGRCMSF-IBGZPJMESA-N	408.505	5.498	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)c2ccccc21	444302103	PSAGURDPSRXGAP-UHFFFAOYSA-N	402.479	5.026	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCSc3ncccc32)c1	460348407	FXIULDFKFFRODQ-UHFFFAOYSA-N	407.882	5.151	30	20	HKED	
Cc1nc(Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)c(Cl)cc1C#N	461727548	FROITPQAQKPHRH-UHFFFAOYSA-N	421.913	5.275	30	20	HKED	
Cc1cc(F)cc2c(N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c(C#N)cnc12	462367799	FCGXHUIMVAPNPL-UHFFFAOYSA-N	407.876	5.307	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	462918338	HLMILNOKDGTCKH-GGAORHGYSA-N	414.530	5.360	30	20	HKED	
CC(C)OCc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)oc2ccccc12	464459495	HTOYHIYBKGQSAT-OAHLLOKOSA-N	402.372	5.262	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1cccc(C)c1	466615072	BDWVZWCBDOADID-QGZVFWFLSA-N	417.538	5.651	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)sc1-c1cccc(Cl)c1	468647216	IDRVFSATQXICNX-KNQAVFIVSA-N	414.958	5.444	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(CSc3ccccc3)cc2)CCC[C@]12CCCCO2	468663070	VLZWKIFBNPNLPW-ISKFKSNPSA-N	406.551	5.046	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C	469898190	GSXFUYKHYBEMHP-UHFFFAOYSA-N	402.498	5.533	30	20	HKED	
O=C(Nc1c(F)cccc1NC1CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	471137705	VHPGYZSPVDVEBW-UHFFFAOYSA-N	406.301	5.690	30	20	HKED	
CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CC2	476227884	VQUUSGFEMIYHOZ-OAHLLOKOSA-N	418.472	5.080	30	20	HKED	
C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1	476399472	SAFVTHSUCQUNAK-PERKRYKHSA-N	400.444	5.702	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	479962092	JXNULRMHPZDZBE-XOKHGSTOSA-N	420.456	5.722	30	20	HKED	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	480657393	FZDRKDZEPVTONS-QHCPKHFHSA-N	421.541	5.259	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(Br)cc2F)nnc1-c1ccncc1	481381181	YPVBXQSXAYBYSM-UHFFFAOYSA-N	419.323	5.110	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccccc1	482609584	MGUIGWWMEDJHFX-JOCHJYFZSA-N	403.526	5.205	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1	483089293	PPLQIZXSUHZYOO-AVRDEDQJSA-N	407.514	5.374	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	483494025	TVSBYHHSFPQWHD-OAHLLOKOSA-N	407.882	5.712	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1	483874530	AOIOPLUGNCMSNI-UHFFFAOYSA-N	409.530	5.160	30	20	HKED	
CCC1CCC(N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1	503282811	KXMAGRMNFINHHP-UHFFFAOYSA-N	404.514	5.243	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1	505046450	UBSYTCKLMURZGQ-FQEVSTJZSA-N	424.545	5.411	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	509031536	SFINEAXMRNPYBL-LLVKDONJSA-N	405.310	5.145	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1c(F)cccc1F	510660211	GKXXVNOFYXNLMA-HNNXBMFYSA-N	407.420	5.820	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c1	512366284	ISJFDVDBVNBYSD-QHCPKHFHSA-N	424.859	5.095	30	20	HKED	
C=C(C)CN(Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1cnn(C(C)C)c1	512506040	GHDKTTIFROFENG-UHFFFAOYSA-N	402.542	5.295	30	20	HKED	
CCCn1c(C)c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c2cc(OC)ccc21	513165714	NHPOOEIOWCRCCS-KRWDZBQOSA-N	415.415	5.272	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCc2ccccc2)cc1	513880969	HWQNAVXXWADTOL-UHFFFAOYSA-N	401.485	5.042	30	20	HKED	
COc1ccccc1OCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	515710943	HMGODOLIVWTKPK-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
CSCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	519433826	DGTPKYFACYCJBS-UHFFFAOYSA-N	410.486	5.826	30	20	HKED	
CC(C)CN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@H](C)c1ccccc1Cl	519778664	TYGFYQYFILVSBT-CQSZACIVSA-N	418.324	5.049	30	20	HKED	
C=C(C)Cn1c(SCc2nc(C[C@@H](C)c3ccccc3)no2)nnc1-c1ccco1	521129363	PYGFPGDISWUOLJ-MRXNPFEDSA-N	421.526	5.136	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc(OC)c1OC	521253864	IWAFQTWKWNBMCD-SFHVURJKSA-N	416.521	5.858	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C(F)(F)F)c1	521261630	UKTYTESZUCVMTA-CYBMUJFWSA-N	423.460	5.287	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	521749146	KQBKMHPFCOEPIU-MRXNPFEDSA-N	419.554	5.226	30	20	HKED	
COc1c(Cl)cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Cl	521955483	IEWAADYJPFYFSJ-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523183869	UEENPRAYFCIDGL-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F	525050437	XMOBQYYYRSWHPZ-CABCVRRESA-N	406.473	6.232	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C	531076087	VZKQXUBHSWPEKM-DNVCBOLYSA-N	416.978	5.159	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1	532201311	LPEOQXFCXIXIRP-CABCVRRESA-N	404.988	6.025	30	20	HKED	
COc1ccc(CNc2ccc(N3CCCC[C@H]3C)cc2C)cc1OCCCC#N	532744712	NVXMJWKISZURHU-HXUWFJFHSA-N	407.558	5.677	30	20	HKED	
N#Cc1ccc(NC(=O)CSCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1	533689134	DFEAJRQNKCZICY-UHFFFAOYSA-N	417.412	5.104	30	20	HKED	
CCN(C(=O)c1cc(Br)cc2cccnc12)[C@H](C)c1ccc(C#N)cc1	536160718	MPGRWWRYOZNRIY-CQSZACIVSA-N	408.299	5.092	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1	536278910	BSDQOONBWZTPIY-CRAIPNDOSA-N	415.946	5.277	30	20	HKED	
C=CCC[C@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1	539358163	UPCMCSYXNJLIPI-QHCPKHFHSA-N	419.594	6.242	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1	539460934	KZHNJSPWQZOVAW-MJWYBRSISA-N	417.481	5.011	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](Nc2cccc(OCCCC#N)c2)CCC3)cc1	540727063	GATWURKMVCVCEJ-OAQYLSRUSA-N	419.550	5.991	30	20	HKED	
Cc1ccc(C2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cn1	543038857	YQXOOYSTVXOFLW-UHFFFAOYSA-N	412.493	5.466	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1	543298261	ZGXSHEJTUBQAJZ-UHFFFAOYSA-N	421.545	5.080	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CC1	548829061	PRPPERJWWRQUOI-XMMPIXPASA-N	422.532	5.003	30	20	HKED	
CC1CCN(C(=O)c2ccc(NCc3ccc(C#N)cc3C(F)(F)F)cc2)CC1	558570221	AGLZDPVMHNVHFW-UHFFFAOYSA-N	401.432	5.061	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(C(F)(F)F)ccc2Br)c1	560707064	OKQKWHYIEXOYBD-UHFFFAOYSA-N	424.220	5.166	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ncc(-c2ccccn2)s1	563710837	VYTVOPNZGNEDED-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1	566830377	RTJYGHLOZBJHLG-UHFFFAOYSA-N	404.562	5.011	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1cscn1	570742514	MNNVPWJFVBJDIT-KRWDZBQOSA-N	419.554	5.240	30	20	HKED	
N#Cc1csc(CN[C@H](c2cccc(F)c2)c2cccc(Br)c2)c1	574543333	WCBROGXWHDVWOF-IBGZPJMESA-N	401.304	5.401	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc(OC)c1OC	574548112	SNANZHPNCRBOSN-CYBMUJFWSA-N	409.404	5.014	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)CCCCC4=O)n2)cc1	577923385	FDZDCCIRLIGSQQ-HXUWFJFHSA-N	416.502	5.218	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)c1ccc(Cl)cc1	579417079	XVDNSQMBNMYMSA-OAHLLOKOSA-N	419.868	5.247	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCc4cccc(O)c43)cc2Cl)c1	581621340	MEFPNHRTYFZWFI-LJQANCHMSA-N	418.880	5.165	30	20	HKED	
C=CCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1	588021431	TUBRNGPNFQOIBN-MRXNPFEDSA-N	410.461	5.307	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)C1	588345873	MDVAJBDHYPRWJT-GOSISDBHSA-N	409.342	5.198	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	588994188	JQMLMGMZXMOAAV-SFHVURJKSA-N	421.419	5.123	30	20	HKED	
O=C(Nc1cc(F)ccc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	590339087	NUYZXQGMQKDQSN-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1	604006919	ADXGYZIFIPSZNN-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccncc2)nc2cc(-c3ccccc3)sc2c1=O	605076384	CDAQLFRQYAJZQE-HNNXBMFYSA-N	405.548	5.559	30	20	HKED	
COc1cccc([C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	609105409	YMMJABGAUZBZPX-INIZCTEOSA-N	404.441	5.027	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1)c1ccccc1	609109430	MLQUQBKLKGTPHR-UQBPGWFLSA-N	410.521	5.339	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)c1	609184944	LSXWNNGCVLGFIM-UHFFFAOYSA-N	408.929	5.093	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1	609789100	GOTVPWLCLKMLBE-LBPRGKRZSA-N	417.412	5.107	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F	610009833	RJERMZMXMLAQJA-KUHUBIRLSA-N	420.550	6.182	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	610174465	ZEGDSLZDSXGJEB-NHCUHLMSSA-N	418.443	5.466	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H]3[C@H](C(F)(F)F)[C@@H]32)c1	610494704	MMXORLBXEOZSRP-RYQLBKOJSA-N	406.791	5.027	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612804338	JBOKNUDVCWDPRE-PBOSXPJTSA-N	414.365	5.438	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)nc(C)n1	613296443	FLVDJXXZVHBAKK-OAHLLOKOSA-N	402.306	5.619	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	613319316	BYBQCIMQLYLYQS-CQSZACIVSA-N	401.944	5.671	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cc1	617463895	VRZYWEDYRUESFC-UHFFFAOYSA-N	422.275	5.060	30	20	HKED	
N#C[C@@H](C(=O)c1ccnn1C1CCCC1)c1nc2cc(C(F)(F)F)ccc2s1	675908291	KEDLQRCJETUMQQ-ZDUSSCGKSA-N	404.417	5.117	30	20	HKED	
N#C[C@H](C(=O)c1csc([C@@H]2CCCO2)n1)c1nc2cc(C(F)(F)F)ccc2s1	677377107	GVFOLTXZBNXZJE-MFKMUULPSA-N	423.441	5.113	30	20	HKED	
C=CCN(C(=O)c1ccnn1CC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	681549415	OTRSPIAVORVTTE-UHFFFAOYSA-N	414.534	5.526	30	20	HKED	
Fc1cc(F)cc(C2CC(N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)C2)c1	685421295	ZEUBZKJJQDRJQX-XHMRGPDZSA-N	401.341	5.710	30	20	HKED	
C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O	726628121	YKPGHHLONAADPZ-VCHYOVAHSA-N	412.923	5.182	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(F)(F)c1ccc(F)cc1	727996986	OUFQCEDWNIBQDB-UHFFFAOYSA-N	410.395	5.315	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(Br)cc2C)cc1	728433086	QYGXMVQKAVVPOI-UHFFFAOYSA-N	417.351	5.467	30	20	HKED	
CN(C(=S)Nc1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21	728796335	GCTABYIZCLFNPQ-INIZCTEOSA-N	418.385	5.186	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(N4CCCC4)cc3)c2)cc1	729571485	VRNJRLPDBOYPDU-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)CCCCCCCC(=O)Nc1cc(C#N)ccc1C	729824619	AEJRWVAMAHGIFX-UHFFFAOYSA-N	416.525	5.355	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc2cc(F)ccc2s1	730422600	ZGKFLMCFTQTZHY-AWEZNQCLSA-N	408.376	5.143	30	20	HKED	
C[C@@H]1CCC[C@H](OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	733052113	GCDFKAOSKRKBMJ-IVMMDQJWSA-N	423.365	5.888	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)c1	733848482	XMLJRBZGLLVBHJ-INIZCTEOSA-N	420.340	5.409	30	20	HKED	
N#Cc1ccccc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1	743454077	DRWPIMQZPNXTOH-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2)cs1	744035025	MTKNTRDKMMEQEQ-ARFHVFGLSA-N	414.864	5.722	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1	747862981	IWTYTPJTSSEMGY-CQSZACIVSA-N	406.442	5.095	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)CCC(=O)c3ccc(F)cc3F)cc2)cc1	749066825	RGVDZEGDHOTYEH-UHFFFAOYSA-N	407.372	5.197	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2cc(C)ccc2C)cc1	751015681	XBXXJOULBRIZSK-UHFFFAOYSA-N	403.507	5.785	30	20	HKED	
C#CCCCCC(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C	753284215	QBYVGMGUTMZEKU-UHFFFAOYSA-N	409.324	5.237	30	20	HKED	
O=C(Nc1cccc(C=NOc2ccccc2C(F)(F)F)c1)c1ccccc1Cl	754711849	CNTOVJOJTDFBLQ-UHFFFAOYSA-N	418.802	6.024	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccccc3)s2)ccc1OC	756703359	BSHCXWXTWFLWEP-XLIONFOSSA-N	406.551	5.955	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1Cl	760285168	NPAYCLQSIZQTKN-IBGZPJMESA-N	413.333	5.336	30	20	HKED	
Cc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(Br)s1	760559806	JMQDMBHHYDAPBP-UHFFFAOYSA-N	417.353	5.349	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C2CC2)[C@@H]2CCc3ccccc32)c1=S	764909849	KLWMONLSQGPEJW-JOCHJYFZSA-N	417.582	5.162	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	765338763	DNTPXZQZJHILFN-OALUTQOASA-N	415.493	5.439	30	20	HKED	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	765591510	WJDNWSWJTQBPGL-FXAWDEMLSA-N	419.506	5.472	30	20	HKED	
C=C(C)C[C@H](C)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	767043979	GXGZTJUKZXJOHS-ZDUSSCGKSA-N	402.834	5.008	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	767739748	JRLNEXXMZRJDEH-AWEZNQCLSA-N	423.724	5.100	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2ccc(C#N)cc2Cl)cc1	768996008	MAQLVQTURQTHKX-ZDUSSCGKSA-N	414.893	5.441	30	20	HKED	
CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2C1	769433974	FNBFUELJIZAYMQ-UHFFFAOYSA-N	423.538	5.002	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)cc1C#N	770073509	KDWRJZOKCMACKV-UHFFFAOYSA-N	418.497	5.065	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	772982269	BKFVGZZTELQZGC-OXJNMPFZSA-N	421.566	5.659	30	20	HKED	
N#Cc1cccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1F	774915500	SDLOIANTNNYQHB-UHFFFAOYSA-N	419.239	5.335	30	20	HKED	
C=CCC[C@@H](C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1ccccc1	777644169	DOWYINNQSWMOTO-RTWAWAEBSA-N	404.466	5.244	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780488196	UADWYVKKGDEFSI-KRWDZBQOSA-N	414.465	5.182	30	20	HKED	
COc1cccc(Cl)c1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	790774632	ZDMMCRVXSZCPLP-GFCCVEGCSA-N	424.831	5.396	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc2ccc(Br)cc12)c1nc2ccccc2o1	796653369	HCYJYINARQMVGK-AWEZNQCLSA-N	411.280	5.224	30	20	HKED	
C=CCCc1ccccc1NC(=O)CCCCCn1c(S)nc2ccccc2c1=O	800592355	QCURAYQUFCVVEU-UHFFFAOYSA-N	421.566	5.003	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1	804197583	FCJVXKQKDBVZGE-INIZCTEOSA-N	404.457	5.341	30	20	HKED	
O=C1/C(=C\c2c(Cl)nc(Cl)n2-c2ccccc2)C[C@H](C(=O)O)c2ccccc21	806561310	TWDKBCDPKYTMSQ-JNSOCZORSA-N	413.260	5.017	30	20	HKED	
Cc1nn(C)c2sc(C(=O)/C=C\c3cccc4c3N(C(=O)OC(C)(C)C)CC4)cc12	806578560	IBWSFBWKIPEJPM-KTKRTIGZSA-N	423.538	5.137	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C	806806356	BKEUYNKDIQLIPV-SFHVURJKSA-N	419.550	5.033	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cc(C(F)(F)F)ccn1	813215396	XSUJKYKYZHEMJD-SQRWCISFSA-N	401.775	5.192	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1	813215992	MONMPFPKQUKWPF-CQSZACIVSA-N	411.221	5.017	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1	814304910	AFFSVORNTJPMMX-JOCHJYFZSA-N	414.534	5.521	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)ccc1OC(F)F	915041122	KQIXJYINRFFNAA-YWEYNIOJSA-N	411.404	5.167	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc2ccccc2o1	915104954	OOKIKRSHGQUPEL-KRWDZBQOSA-N	402.837	5.403	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353655	VWZLNQKUCINFCR-JOCHJYFZSA-N	421.447	5.607	30	20	HKED	
C=CCOc1ccccc1C(=O)O[C@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C	915387171	LWNHTAVEQULNDD-IBGZPJMESA-N	421.415	5.090	30	20	HKED	
Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c1	916212774	YCMXQPCOQVWYFR-NRFANRHFSA-N	421.566	5.043	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	916976113	KHKSWOMKHFVZSF-QGZVFWFLSA-N	401.318	5.926	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1	917046705	MJGAZQJVSTUMCB-HNNXBMFYSA-N	409.923	5.492	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2cc(-c3ccccc3)cs2)cc1	917518249	XEJDXCVAXMTYBG-QXMHVHEDSA-N	400.503	5.624	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccccc1OCc1ccccc1	918685015	DJXPNWGPVWQWAJ-GOSISDBHSA-N	402.519	5.372	30	20	HKED	
CN(C)c1nc2sc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2s1	919712940	RGFUOFFRRPIUKF-QGZVFWFLSA-N	418.547	5.332	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3cccc(Cl)c3)n2)cc1	920139829	ZAJJIVLKEPIBRH-SCLBCKFNSA-N	412.898	5.116	30	20	HKED	
Cc1ccc(N(C(=O)/C=C/c2ccccc2C#N)c2nc3ccccc3s2)c(C)c1	920752654	NWKDCEONURETSG-WYMLVPIESA-N	409.514	6.163	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccc(F)cc2F)cc1	921281150	MCIGBPXMRWOQMO-OAQYLSRUSA-N	406.432	5.418	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3SCC)cc2)CCC1	1785780205	PDCHUGRFXWFENG-QGZVFWFLSA-N	423.582	5.154	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccn3)CCC2)cc1	1789456215	MBZBCUTWUDUANF-FQEVSTJZSA-N	423.944	5.251	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cc2ccccc2o1	1797701130	QOJSGIHSENYCAA-WBTGWBBHSA-N	420.553	5.077	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592393	RBHBPAPVCOUZJB-UTKZUKDTSA-N	408.546	5.051	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1	1828829566	DTSAUELXJXZPNZ-DHIUTWEWSA-N	414.634	5.345	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CCCCCC(C)(C)C)C2)c1	1846087474	GACSHDLNDDHTBH-FQEVSTJZSA-N	423.601	5.127	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nc(-c2ccc(Br)cc2)nc2ccccc12	15244756	XIQHXBGFSQFVQL-AWEZNQCLSA-N	423.339	5.595	30	20	HKED	
O=C(/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccccc2s1)c1ccccc1	38321834	PPGUMRFHFNDITE-VBKFSLOCSA-N	402.431	5.334	30	20	HKED	
CCCCCOc1ccc([C@@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)cc1OC	46827668	LYYMKLCVSRBKKG-GOSISDBHSA-N	409.530	5.038	30	20	HKED	
CC(C)C(=O)Nc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1	60973008	KMFVTEQTJUWHQJ-UHFFFAOYSA-N	413.521	5.022	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cc1C#N	61634297	GEEPXLFCUJSWDQ-UHFFFAOYSA-N	411.870	5.079	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	62897042	UQOHQXUXUVLAPD-HNNXBMFYSA-N	406.404	5.322	30	20	HKED	
Cc1ccc(-c2nc(C/C(O)=N/c3nc(-c4cccc5ccccc45)n[nH]3)cs2)o1	65514659	WEDMMAMIYIJMDH-UHFFFAOYSA-N	415.478	5.481	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1	111183044	BJXPYQSLYBLFIW-UHFFFAOYSA-N	424.504	5.293	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1	303115882	LWODJLHRMAXLAD-KRWDZBQOSA-N	402.450	5.074	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	303683506	NDVCNMDTYOCXLF-SECBINFHSA-N	422.291	5.293	30	20	HKED	
CC(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1cccnc1	434182821	KUBSWIMPALNBEI-NRFANRHFSA-N	401.535	5.274	30	20	HKED	
CC(C)Oc1ccc(Br)cc1NC(=O)c1cccc(SCC#N)c1	434330896	SRTWDWAFDDXIBW-UHFFFAOYSA-N	405.317	5.104	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2s1	435190848	KAIZXFJKHXTZHX-HNAYVOBHSA-N	410.930	5.562	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(F)cc1F	437230122	WUWGLZOBZSEFRK-UHFFFAOYSA-N	404.335	5.381	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1	437839640	HXMAKERKYVEFPS-WZONZLPQSA-N	421.516	5.255	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccc(C#N)cc1Cl	439078238	LEEINHXATUKTSL-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(C3CCC3)cs2)cc1	444530005	ZLWPBBJVLIJQQO-UHFFFAOYSA-N	405.548	5.827	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCCC[C@H]1c1ccccc1	460797752	VHCRTJWSDDYKRH-QHCPKHFHSA-N	402.542	5.303	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ncc(-c4ccccc4)cn3)cc2)c1	461885340	DYOKRYZLBUGIOA-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1	463240717	VLIRNTSQPUOOME-QEJZJMRPSA-N	404.377	5.614	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1	464935594	HFYFRNRFTHRYBN-YADHBBJMSA-N	415.562	5.268	30	20	HKED	
N#CCc1ccc(NC(=O)NCc2ccccc2COc2ccccc2Cl)cc1	466056532	PTRHCDMXKIDYCU-UHFFFAOYSA-N	405.885	5.307	30	20	HKED	
CO[C@@H]1CCOc2c(NC(=O)c3ccccc3Oc3ccccc3C#N)cccc21	468683978	IPEZXTXHEYJCLX-OAQYLSRUSA-N	400.434	5.073	30	20	HKED	
Cc1c(Br)ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1F	469324152	CMKBVUZZUGWSBM-LLVKDONJSA-N	407.308	5.401	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1	469676470	DAXSFQUXDDNOCV-HUUCEWRRSA-N	401.482	5.380	30	20	HKED	
N#CCCn1ccc(NC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)n1	470439136	UBOZYJKPRVFREU-UHFFFAOYSA-N	415.375	5.252	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccccc1	474911656	ULCOYUHAXIVJSE-GOSISDBHSA-N	407.901	5.275	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	474963533	CQWBSVNIMIMCMC-LBPRGKRZSA-N	401.438	5.073	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1	480592091	LOCUIEGZEWIBNM-QFBILLFUSA-N	420.538	5.981	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1	480657122	CRYXYIDZDUVEPU-KBMIEXCESA-N	411.505	5.671	30	20	HKED	
Cc1ccccc1-c1nnc(C)n1-c1ccc(Oc2c(C#N)nnc3ccccc23)cc1	481845225	QTPMSTAZDZXTPA-UHFFFAOYSA-N	418.460	5.158	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnc2ccccc12	484556421	KBCCTHRPNNYEKY-QGZVFWFLSA-N	403.894	5.810	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCCc1ccc(Br)s1)c1ccccc1	487546637	WMEFSSPZZGLCQS-QGZVFWFLSA-N	405.361	5.385	30	20	HKED	
C=C[C@H]1CCCCN1Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1	489465115	RONQQGTWJBJPEG-KRWDZBQOSA-N	409.477	5.387	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	494067939	CVELZZNLDFKYBV-OAHLLOKOSA-N	410.499	5.186	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)N[C@@H](C#N)c2ccccc2Cl)cs1	505633931	KKFMEGLATSMJRT-SFHVURJKSA-N	413.955	5.392	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3sccc3[C@H]2C)cc1	508253808	VFZCSSSVJPGVHJ-OAHLLOKOSA-N	419.506	5.572	30	20	HKED	
N#CCCCCNC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	510000704	WUEBTPKDHLBLIT-UHFFFAOYSA-N	412.852	5.635	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1	510859302	JFYZWNUVXYVPRR-GOSISDBHSA-N	414.303	5.088	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1	510988599	WOEBIGJXNNOJPR-GOSISDBHSA-N	418.896	5.257	30	20	HKED	
C[C@H](N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(C#N)cc1F	512633666	AOZISROBWWWZGH-HJPURHCSSA-N	402.448	5.278	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(Cl)s2)n1)[C@@H](C)c1ccc(C#N)cc1	512798402	VZVSSYUGUPAIGL-LBPRGKRZSA-N	401.944	5.620	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccccc1SCc1csc(C)n1	512864613	ODDOEKMBZCKTPX-UHFFFAOYSA-N	409.536	5.267	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(COc3ccccc3C#N)c1)CCC2	513301465	MEYLDPPDKWOQLR-OAQYLSRUSA-N	417.534	5.052	30	20	HKED	
CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCO1	513731706	ZHYIZEXMXMMMJP-GAJHUEQPSA-N	410.489	5.056	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccccc4)s3)n2)cc1	516270215	PSQHAVAQEMRUDL-QGZVFWFLSA-N	412.499	5.295	30	20	HKED	
N#CCC1CCN(c2nnc(-c3cccc4ccccc34)n2Cc2ccccc2)CC1	517397633	SUFRECHERFMOBE-UHFFFAOYSA-N	407.521	5.277	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)C2CCCCC2)cc1Cl	517896682	OBSVYWDMAKWWBF-UNMCSNQZSA-N	411.933	5.058	30	20	HKED	
CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1SC[C@H](C)C#N	518137384	DENRSVROENNAHO-QGZVFWFLSA-N	420.538	5.165	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	518906926	CEWIZTPSDFKBCY-UHFFFAOYSA-N	411.461	5.410	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1Br	518916636	KITJPFNAKCDNLJ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CCCN(C[C@H]1CCCCO1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	520720492	PGUZQRIXFYLVNV-OAQYLSRUSA-N	408.567	5.272	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CCC3)cc1	521016155	MJFPIETZHZUYGP-KRWDZBQOSA-N	406.467	5.088	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccc(F)cc1	521617566	ZDKTXJRUWWLSRI-MRXNPFEDSA-N	402.397	5.150	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1	521717465	YHAGMPLWGOBLHH-CVEARBPZSA-N	401.329	5.197	30	20	HKED	
CCc1cccc2c(CCNC(=O)Nc3ccccc3SC[C@@H](C)C#N)c[nH]c12	523594316	IKTUXMXEKLAGOC-INIZCTEOSA-N	406.555	5.346	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	525566899	KFFCUCXXFCVHKT-AWEZNQCLSA-N	415.946	5.439	30	20	HKED	
N#CCc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)c1	531924905	KPUYIHCXGOVCGB-CAPFRKAQSA-N	416.484	5.435	30	20	HKED	
CC[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1c(C)noc1C	534160157	VHMBEURQTRODLP-SFHVURJKSA-N	409.873	5.490	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1	534733888	XYAPOOZCQNSICY-YJBOKZPZSA-N	415.946	5.419	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](Cc3ccc(Cl)cc3)c3ccccc3)o2)c1	539278266	JFCBVSYZHLNEOF-QFIPXVFZSA-N	414.896	5.335	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F	539288400	HPBKNXDRQXCUDL-RDTXWAMCSA-N	403.498	5.038	30	20	HKED	
CCSc1ccc([C@@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	540400036	YEPQSERSNVPUNO-DLBZAZTESA-N	413.612	5.340	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ncc(-c2ccccc2)[nH]1	541094411	LAOPJUXQLACFBB-AEFFLSMTSA-N	419.554	5.601	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@@H](C)c1nccs1	541423735	UIJKUQONULGBGV-MRXNPFEDSA-N	406.511	5.383	30	20	HKED	
CC(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(CC#N)CC1	549449856	SRYULTHPXIEYEH-LJQANCHMSA-N	417.557	5.357	30	20	HKED	
Cc1c(NC(=O)c2sc3ccc(C#N)cc3c2C)cccc1OCC(F)(F)F	550202717	SYACZDLNAIGDSV-UHFFFAOYSA-N	404.413	5.583	30	20	HKED	
C=CCOc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	551270731	IHWSNIBJADOWDX-JOCHJYFZSA-N	405.460	5.528	30	20	HKED	
COc1ccc(-c2csc(NC(=O)c3cc(C#N)ccc3Cl)n2)cc1Cl	552094396	ZVPWQGWXCFRITL-UHFFFAOYSA-N	404.278	5.249	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1csc(-c2ccccc2)n1	560324016	MVKJYDVBWZHXJF-UHFFFAOYSA-N	409.514	5.458	30	20	HKED	
CCCn1ccc2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)ccc21	562171234	RIPCUAMFALFJHZ-UHFFFAOYSA-N	420.488	5.137	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCC(F)(F)CC1	569374138	QDYWKFCDMGSVJL-IBGZPJMESA-N	417.887	6.037	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Br)cc1	569515903	YSERHZKYUBPTIY-CQSZACIVSA-N	422.282	5.250	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1c2ccccc2CC12CCOCC2	570250592	SDWWRONIEUVIHC-JTSKRJEESA-N	421.566	5.297	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1C(F)(F)F	589470207	YGIWPTZKBDIXHJ-AWEZNQCLSA-N	411.383	5.507	30	20	HKED	
CC(C)OCc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)oc2ccccc12	592974652	WKFNJICECRNCAH-OAHLLOKOSA-N	408.454	5.597	30	20	HKED	
Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)oc2c(F)cccc12	603995540	HQKQBORKRKPJFS-UHFFFAOYSA-N	413.408	5.257	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)o1	609062626	UDIJKCYLSTZNRF-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)c3ccco3)cc2)cc1	609497961	ZCMLZHAQGIGYET-RUZDIDTESA-N	408.457	5.657	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1OCC1CC1	610052164	OUWKTELESXVNSC-UHFFFAOYSA-N	414.530	5.428	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(-c2ccncc2)s1	610173376	ZMTPQJPBCBCBRZ-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
CC(C)N(C)CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1	610334683	NGHVWNHYMFKLMG-UHFFFAOYSA-N	424.520	5.074	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)c1cccc(C#N)c1	610348214	LPJMZWCWJXAYOR-VLIAUNLRSA-N	412.331	5.222	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1OCCC(C)C	610348494	FHTLNALGGLRWHK-ROUUACIJSA-N	409.530	5.113	30	20	HKED	
COc1ccc2cccc(Cc3noc([C@H]4CCCN4c4ccc(C#N)cc4)n3)c2c1	615133128	MNMRYJLSHXKYRH-HSZRJFAPSA-N	410.477	5.035	30	20	HKED	
C=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)C1CCC2(CC1)OCCO2	616569391	RNVZIDQQUDUNOI-UHFFFAOYSA-N	416.410	5.716	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cn2)c1	642322391	KIRRQGKRLDNPIA-UHFFFAOYSA-N	405.841	5.001	30	20	HKED	
CCc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	676954785	ZNLDZWJEUIKOLN-QWRGUYRKSA-N	400.338	5.419	30	20	HKED	
CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C	682399693	BYPYQXSRKSTVBY-AWEZNQCLSA-N	417.412	5.072	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	685672823	TWCUNNYIFADQKD-ZDUSSCGKSA-N	413.268	5.112	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1NC(C)=O	726430439	YVFUVDLHNYDPKD-UVTDQMKNSA-N	415.489	5.437	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2sccc2SC(F)F)cc1	730479294	YBHBAMMVLWARPJ-UHFFFAOYSA-N	406.401	5.139	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl	731136470	QWKFSENSRHHCEZ-PBHICJAKSA-N	401.293	5.151	30	20	HKED	
Cc1ccc(-c2csc3ncnc(SCc4ccc(OCC#N)cc4)c23)cc1	731156353	PYOYUQSBJWZJLA-UHFFFAOYSA-N	403.532	5.861	30	20	HKED	
CC(C)(C)n1cc(C=NNc2cnnc3ccccc23)c(-c2ccccc2Cl)n1	733750047	KPYYPWGOQVILCA-UHFFFAOYSA-N	404.905	5.348	30	20	HKED	
C=CC[C@@H](NC(=O)N(CCC)Cc1ccccc1Br)c1ccncc1	734678781	IIQADVXFJWWXJH-LJQANCHMSA-N	402.336	5.083	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)c1	735014809	HMAXREPBBRMOHG-UHFFFAOYSA-N	424.287	5.564	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)COc3ccc(-c4ccccc4)cc3Cl)[nH]c12	735793267	ROHGWOIEXBPCRE-GOSISDBHSA-N	415.880	5.447	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1	736955221	GTWVYRCJCALBTA-NBGIEHNGSA-N	413.496	5.578	30	20	HKED	
CCCc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[nH]c(C)c1C(C)=O	739596479	WGNBUWQNLMXWHA-UHFFFAOYSA-N	405.523	5.008	30	20	HKED	
C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc2ccccc2s1	740062531	WLXHNURPBUFBFD-CQSZACIVSA-N	418.547	5.457	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(SCC(F)(F)F)cc1	741840959	CLGQABZUIABKBE-TWGQIWQCSA-N	412.429	5.263	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3ccsc3)n2)cnn1-c1ccc(C#N)cc1	741853211	YJMUZQGMXSAICT-DAXSKMNVSA-N	402.504	5.134	30	20	HKED	
CC(C)CCN(CCC#N)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	744405307	HOTIWPSYSHHXCW-UHFFFAOYSA-N	411.160	5.500	30	20	HKED	
COc1ccccc1NC(=S)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	745723523	AQFJORKVZAHLIJ-UHFFFAOYSA-N	405.498	5.418	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1)c1ccncc1	745826461	ARBSDUXKERLOTM-DVECYGJZSA-N	415.537	5.777	30	20	HKED	
CC(C)c1nnc(S)n1N=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1	745989168	QUMSTWRCPVSUHZ-UHFFFAOYSA-N	406.433	5.384	30	20	HKED	
CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2ccccc2c1=O	747199622	YNGLXJJKEZUKGK-GOSISDBHSA-N	422.554	5.047	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1	747358833	JMJNXXPNLHEOIE-RPBOFIJWSA-N	413.496	5.084	30	20	HKED	
Cc1nc(/C=C\c2ccc(Cl)nc2)sc1C(=O)/C=C\c1ccc(Cl)nc1	748997372	JWMXUSYPHSZZHS-HHWCOPEFSA-N	402.306	5.615	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc4ccccc4c3)n2)cc1	753393951	AZJVXFGYONMVLM-KSFYIVLOSA-N	412.514	5.952	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3c(Cl)nc4ccccn34)c21	757530056	QHYKCQVJMMQKCJ-ZHACJKMWSA-N	423.900	5.181	30	20	HKED	
CC[C@](C)(CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1OCCO1	758536702	VEMVAMIIWYUQDE-WIOPSUGQSA-N	421.541	5.033	30	20	HKED	
CN(C(=O)Cc1cccc(OCC#N)c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	760530250	ZLQIBVGTMHPMHN-XMMPIXPASA-N	422.887	5.172	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1	762972954	CBNAVAWOIHNSRS-OAHLLOKOSA-N	411.552	5.122	30	20	HKED	
CC#CCCCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1OC	767960625	QNXUXYSEANKXQR-UHFFFAOYSA-N	401.462	5.200	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1	770338246	UXYSMLYZIPUTEE-UZLBHIALSA-N	400.954	5.129	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Br)ccc2F)ccc1OC	772980482	PGJYSMDHUHGVDB-XJKSGUPXSA-N	421.310	5.129	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccnc(Cl)c2)cc(Br)c1OC(F)F	782194083	MEPPAOLKFRBZSO-NSCUHMNNSA-N	418.621	5.004	30	20	HKED	
CCc1sc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C	787047037	VNKJHIPFGVNKKT-SMDDNHRTSA-N	409.338	5.126	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1cnc2ccccc2n1	792099449	BDIAPPIUZOLSEM-QGZVFWFLSA-N	420.310	5.081	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(OC(F)(F)F)c(Br)c1	794997418	YWKVOPVOVFIPJG-UHFFFAOYSA-N	416.222	5.028	30	20	HKED	
CCC[C@]12CCCN1C(=O)N(c1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2=O	804200429	JAKGFEWCJVOTDS-AUSIDOKSSA-N	407.901	5.097	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1\C[C@@H](C(=O)O)c2ccccc2C1=O	806559997	HPHPNSIVEHRKBZ-KDHISYJLSA-N	420.896	5.040	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1cc(C#N)c2ccccc2n1	809078246	FIZROBVCNGHZDS-UHFFFAOYSA-N	416.481	5.025	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Oc3cccc(Cl)c3C2=O)cs1	811697634	DINKNCGXNKLTHJ-RQZCQDPDSA-N	414.845	5.236	30	20	HKED	
O=C(CON=Cc1ccccc1Br)Nc1ccccc1-c1ccccc1	852255064	NXTKDSWLFHXIRQ-UHFFFAOYSA-N	409.283	5.105	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1	915085585	NTOUPIJOHWLLCV-IBGZPJMESA-N	415.543	5.683	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNCc1cccc2cccnc12	915959917	VCIKTPOZPAFTBO-UHFFFAOYSA-N	410.308	5.159	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2cccc(C(F)(F)F)c2)cs1	916259700	FLDQMBYZLQVHIN-UHFFFAOYSA-N	404.417	5.293	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cc3ccccc3nc2N2CCOCC2)c2ccccc12	916546865	LPROHIXHGARIJB-BENRWUELSA-N	424.500	5.129	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4cc(F)ccc4O)c23)cc1	916613682	ZKTKWSFTNWABPQ-UHFFFAOYSA-N	408.458	5.048	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1Cc1ccccc1	916915839	KHEGFUXBPGBJAO-XMMPIXPASA-N	421.500	5.268	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccccc2)cc1	916915961	SYVXLBLYZOKEIU-XMMPIXPASA-N	420.468	5.380	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccc(F)cc2)n(CC=C)c1=S	917484855	GAIKZQYSVXOVCY-UHFFFAOYSA-N	424.545	5.060	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CSc3c(F)cccc3C2=O)cs1	917560440	YOTJEZKIUVWRLK-GDNBJRDFSA-N	424.522	5.647	30	20	HKED	
C=CCCC[C@@H](C(=O)N1CCc2c(ncn2CCc2ccccc2)C1)c1ccccc1	929073286	YTVUVXWUHOADPZ-XMMPIXPASA-N	413.565	5.151	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)s1	1788822002	AKVNKMGTMNNAAJ-UHFFFAOYSA-N	409.555	5.097	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC)c3)cc2)CCC1	1790272249	OQPUOOPVBJLMFY-QHCPKHFHSA-N	418.537	5.211	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC4CCC4)CCC3)cc2)cc1	1790705062	FGWLDJBOMRVDBC-UHFFFAOYSA-N	415.537	5.081	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(C)cc(OC)cc4C)cc3)CCC2)C1	1790748972	CQUIYYARZMPWKK-UHFFFAOYSA-N	418.537	5.026	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1	1791249869	CMLHXCIELAIQAC-KRWDZBQOSA-N	402.494	5.393	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C2	1793052235	DIRUXSVOBSTRBF-REPLKXPHSA-N	414.615	5.066	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1819311307	UWDJCPKQZDRPRQ-LMKYQYBXSA-N	424.589	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1829068270	NPFZYGSNQKEBNN-FQEVSTJZSA-N	416.631	5.282	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1cccc(C)c1	17708684	ILLGTFDRRJERJX-CQSZACIVSA-N	409.540	5.404	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)NC(C)C)cc3)n2)cc1	51154817	ATBWUDWLIZRGIG-IBGZPJMESA-N	418.522	5.139	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1Br	57374555	GXDNKRWRTQKCDX-UHFFFAOYSA-N	407.267	5.674	30	20	HKED	
CCn1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc(-c3ccccc3)nc21	59337624	IIDJGZDYTSMMMY-QGZVFWFLSA-N	423.501	5.218	30	20	HKED	
C=C(C)COc1cc(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1OC	60790629	GIJBEXBWOTZHSH-ODLFYWEKSA-N	418.518	5.846	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1	60949531	ILJCIIBZPUVFTA-UHFFFAOYSA-N	407.564	5.502	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4cccnc4)cc3)n2)cc1	64682068	GCWBVOHUGZWTCC-OAQYLSRUSA-N	411.486	5.796	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)c2)c1	107926043	NDEKSTWDSOSOBE-VQTJNVASSA-N	402.416	5.444	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Sc3ccccn3)cc2)cc1	111183361	CMEPQQGCAKAKLQ-UHFFFAOYSA-N	403.507	5.192	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1F	216103751	SLNIWUZNUJVPTB-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2ccc(OC)c(OCc3ccccc3)c2)cc1	237191539	AORDTCBDQDTZPO-UHFFFAOYSA-N	417.509	5.194	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n(Cc2ccccc2)n1	303214085	SLRKWRXWCLCYPI-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	303454045	KETMNYUWZBKFRY-QFIPXVFZSA-N	415.518	5.320	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccc(C)cc2)cc1	303570056	IZAUCGOGKJEAOU-DEOSSOPVSA-N	417.553	5.048	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21	429813158	QSBZVRJEIBLJHO-HJPURHCSSA-N	418.518	5.609	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc(SCC#N)c1)C1CC1	429939626	HJWSOADGSVQWDB-CQSZACIVSA-N	404.457	5.687	30	20	HKED	
C[C@@H]1Sc2ccccc2N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1C	430656511	TWYSYJKTXBNEQR-HOTGVXAUSA-N	401.491	5.275	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(F)c(Cl)c3Cl)ccc21	432259897	QUAXPBMSWJGWJV-UHFFFAOYSA-N	406.288	5.328	30	20	HKED	
N#Cc1cn(CCc2cccc(Cl)c2Cl)c2ccc(Br)cc2c1=O	432531670	RFITZCIWPQLGIW-UHFFFAOYSA-N	422.109	5.185	30	20	HKED	
C=CCc1cc(/C=C(\CCCC(=O)O)c2nc3ccccc3s2)cc(OC)c1O	436937201	DUBXKWOYDSGAOK-GHRIWEEISA-N	409.507	5.535	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2c(C)nn(-c3ccc(F)cc3)c2C)cc1	437233201	FESVTKIDRPYWTM-UHFFFAOYSA-N	418.516	5.055	30	20	HKED	
Cc1cnc([C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)s1	438025318	VJHPACGCTAJHBA-HXUWFJFHSA-N	404.495	5.388	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1sc(C)c(C)c1C#N	438982489	ZRBBHGMVQNUXOF-UHFFFAOYSA-N	406.294	5.759	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)c(F)c1	439108122	BQHHXWLVPTVESP-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c1	439353302	QKCHTEPXMRGSFS-UHFFFAOYSA-N	423.538	5.126	30	20	HKED	
CC(C)(CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)CC(=O)c1ccccc1	442750934	JYVOSJORQXKGJI-GOSISDBHSA-N	402.416	5.076	30	20	HKED	
CN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1	443919339	MSDOXEBGLJRXFJ-UHFFFAOYSA-N	408.683	5.272	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cnn1C1CCCC1	444900567	SCZJMMLHXFFGDM-UHFFFAOYSA-N	401.470	5.615	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)CCCc3cc(Cl)sc3Cl)CC2)c1	445867437	VUYMXSVXZISBJL-UHFFFAOYSA-N	423.365	5.319	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1ccc(SCc2csc(C)n2)cc1	461672828	NMZQDCLSPHQONH-UHFFFAOYSA-N	422.579	5.690	30	20	HKED	
C=CCOCCCC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C	463339408	HQJPINVGRUJTMH-FXAWDEMLSA-N	422.956	5.839	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	464225427	YKWSRJHRGVBXDR-GOSISDBHSA-N	423.538	5.372	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)ccc1Cl	464923822	QCKJAVSZQUZAQI-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
N#C[C@@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccc(OCc2ccccc2)cc1	468324218	SXQCNAIHGCDDIB-JOCHJYFZSA-N	406.432	5.127	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1	471555126	KEIUKNIOCNNMNA-UHFFFAOYSA-N	423.447	5.591	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1Cl	474431553	NMJZAAVTMRJKMP-FQEVSTJZSA-N	423.879	5.500	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(C)nc1-c1ccc(Cl)s1	475507181	KTUCVNRPTGGAIK-GFCCVEGCSA-N	416.959	5.306	30	20	HKED	
O=C(CNc1ccccc1CCC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F	476107755	HSLGOWXVFBWUQX-UHFFFAOYSA-N	422.344	5.068	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@H](c3nc(-c4c(Cl)cccc4Cl)no3)C2)n1	476914368	LPQBGUQRJWOHAP-AWEZNQCLSA-N	414.296	5.003	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	479363414	UVFORFKHXRDDQM-CQSZACIVSA-N	421.488	5.830	30	20	HKED	
C=C(C)[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(F)c(F)c1	479415337	QOGULTDCMYJJBW-FQEVSTJZSA-N	400.450	5.224	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1cc(F)ccc1OCC(F)(F)F	482574984	SNLDJZBNDFRNCB-CYBMUJFWSA-N	409.301	5.442	30	20	HKED	
N#CCCC[C@H](NC(=O)Cc1cc(Cl)ccc1Br)c1ccccc1	487217712	IKHDVTNUEIGFTP-SFHVURJKSA-N	405.723	5.196	30	20	HKED	
C=CCSc1ccccc1NC(=O)CNc1ccc(C(=O)Nc2ccccc2)cc1	487371291	VNVROMNZWOGWOG-UHFFFAOYSA-N	417.534	5.268	30	20	HKED	
C=CCC[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	487638164	QQBRAJROSRTNCJ-IBGZPJMESA-N	420.563	5.391	30	20	HKED	
CC(=O)N(C)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	494326932	GYHYDYPVJGSIED-QFIPXVFZSA-N	417.896	5.230	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3sccc3C#N)oc3ccccc23)s1	499342076	SPLLASPUBRADSI-UHFFFAOYSA-N	412.521	5.071	30	20	HKED	
CCOc1ccccc1CCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501478796	LNVSARCWBPWOOK-UHFFFAOYSA-N	414.505	5.302	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(COC2CCCCC2)c1	502317783	IMCQOEXNSOKJCB-UHFFFAOYSA-N	422.525	5.214	30	20	HKED	
CC(C)CN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(C#N)cc1	504393603	IAYQGPNGRFCQND-UHFFFAOYSA-N	412.493	5.505	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1	505062064	PEMZTPBXXWDDPN-NTKDMRAZSA-N	408.542	5.252	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)CCCCOc1cccc(C#N)c1	505322443	GYWWCFLJGCYTEH-UHFFFAOYSA-N	402.498	5.190	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N(CCC#N)CC1CC1	506938427	HUQIMOQWYVHXRE-UHFFFAOYSA-N	417.918	5.013	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(F)cc1Cl	510209097	NTVLVMNYUDYAHN-CYBMUJFWSA-N	411.889	5.532	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1	511340592	MBCMYBJULIVXJH-JOCHJYFZSA-N	419.912	5.167	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12	513349105	RZLLDEOFBURADN-UHFFFAOYSA-N	412.468	5.707	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	513508873	VDSNJUCKPIRKLP-UHFFFAOYSA-N	411.461	5.048	30	20	HKED	
N#CCc1ccc(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	513605526	UEQCCEXSGWHZQM-UHFFFAOYSA-N	410.304	5.924	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4s3)s2)cc1	513655007	OUSAEQNZMGDZBP-INIZCTEOSA-N	419.531	5.617	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	513691464	CZIJBTRLGJYTIT-GOSISDBHSA-N	411.486	5.347	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4ccnc(Oc5ccccc5Cl)c4)no3)CC2)cc1	515915253	YBATYZKFIVARTN-UHFFFAOYSA-N	414.852	5.529	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(Sc3nc(C)cs3)c(Cl)c2)CC1	518054344	GGMBNOQWRVBWDB-UHFFFAOYSA-N	423.007	5.028	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3C3CCCC3)c2)cc1	519002570	JBWWZBUMVNMQIN-XMMPIXPASA-N	403.526	5.518	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)cc2)nc1	520353014	SXRXVTSUMNTQQI-XMMPIXPASA-N	422.488	5.594	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1	520632750	SDPSEJGFJSFRIO-UHFFFAOYSA-N	424.460	5.776	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	525050380	UTYBXCMIQGSWTD-AWEZNQCLSA-N	415.946	5.581	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1	530447275	GPLZQXUSBSYZEX-IBGZPJMESA-N	419.594	6.560	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1cnc2cc(C)nn2c1C)c1ccc(C(F)(F)F)cc1	539052427	ZVOREMCNQFXCKC-YWZLYKJASA-N	402.464	5.723	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1ccc(C(F)(F)F)cc1	539316008	BGBOSGMTCSOTFI-OALUTQOASA-N	420.479	5.599	30	20	HKED	
O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)C1CCC(F)(F)CC1	542037538	HLJYVWQAGUKYSS-LBPRGKRZSA-N	405.285	5.130	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1	542878837	ZGMRNQBVCXDZDR-LBPRGKRZSA-N	411.248	5.323	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	542880919	LEKHJHKVSORURU-HNNXBMFYSA-N	419.337	5.459	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	543805595	KWVCVNPCFOBUPX-FQEVSTJZSA-N	417.921	5.803	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1	548996456	KVWBDGHULUBOMF-ZDUSSCGKSA-N	404.388	5.038	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)C[C@H]1CCCOC1	549734686	NFDOBHLWIWNYNS-VQTJNVASSA-N	420.557	5.010	30	20	HKED	
C=CCc1cc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc(OC)c1OC	557079632	VDPTVPNSOJWBQG-QFIPXVFZSA-N	415.480	5.134	30	20	HKED	
C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(OC2CCCC2)CC1	558995700	JNODTDANEJHAHQ-UHFFFAOYSA-N	406.530	5.195	30	20	HKED	
Cc1cc(F)ccc1C1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1	584044913	ZBAVWMUHMVJYTL-UHFFFAOYSA-N	418.468	5.198	30	20	HKED	
CC(C)(CCC#N)CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12	588178565	XOTUEGLRXJHJQE-UHFFFAOYSA-N	409.480	5.492	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(F)c(Br)c1	595015665	SSWHSWLAEHDTMA-CQSZACIVSA-N	421.310	5.056	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@@H](C)c5ccc(C#N)cc5)(C4)C2)C3)cc1	603510034	YTFBSPLXOVVKNW-FUYJZFRPSA-N	414.549	5.282	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cn2)cc1	604241575	ABZLBXJXCCLTEM-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
COCCOc1c(Cl)cccc1NC(=O)c1ccccc1-c1ccccc1C#N	604464973	KPHWTPOSRDZHAE-UHFFFAOYSA-N	406.869	5.156	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4ccc(F)cc4F)cc3)[nH]c12	605363342	VEFKZSVNMKUMON-QGZVFWFLSA-N	403.388	5.432	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@H](C#N)CC(C)C)c3cnn(C(C)C)c3n2)c(C)s1	608820810	HCFDNVFSATZIST-INIZCTEOSA-N	409.559	5.026	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cs1	608937903	NJWQYQRRTKJEBD-UHFFFAOYSA-N	415.440	5.195	30	20	HKED	
C[C@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2S1	609055313	CFYALZGRYWSKIY-INIZCTEOSA-N	404.491	5.261	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)oc1C	609058441	SOCTUUSTLQVWLW-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609079347	XQVQTRRULICNQR-FQEVSTJZSA-N	413.521	5.979	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	609142939	NWDFAHSLVRNXNK-UHFFFAOYSA-N	409.477	5.160	30	20	HKED	
N#C[C@H](NC(=O)CCc1cc(Cl)cs1)c1ccc(OCc2ccccc2)cc1	609911546	MZNGUQKWAOHCKZ-NRFANRHFSA-N	410.926	5.294	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)cc1	609991838	WORUWMGILPBDCG-UHFFFAOYSA-N	411.505	5.294	30	20	HKED	
CCCCN([C@H](C)c1ccc(C)o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	610007832	SGZGBDJPJFAVRI-CQSZACIVSA-N	414.449	5.031	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@@H](C)Oc3ccccc3C#N)cc2c1	610070477	CHMAMBUWAREFDE-GOSISDBHSA-N	414.461	5.202	30	20	HKED	
COc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)cc1	610090085	LTEBAMBTYABTQB-MWTRTKDXSA-N	419.912	5.370	30	20	HKED	
C[C@@H](SCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OC(F)(F)F)cc1	610217725	IJFMTKVLIBTHFJ-GFCCVEGCSA-N	405.401	5.501	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[nH]c2c1	610331062	HGIMPRIRAVEXAY-GOSISDBHSA-N	413.403	5.131	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(-c3cc4ccccc4o3)o2)c1C#N	610511294	YHXKWYNVTCAFLG-UHFFFAOYSA-N	413.462	5.141	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NC(=O)NC(C)C)n2)cc1	613318275	UCLNIQDNOMUPEY-SFHVURJKSA-N	418.522	5.139	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c2)c(C)c1	614439799	KSKGEJDVNBAVNN-HXUWFJFHSA-N	412.514	6.227	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCOc1cc(Cl)cc(Cl)c1	619791734	LLISBJRVYWLFMG-UHFFFAOYSA-N	407.684	5.221	30	20	HKED	
CCOc1cc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F	678207897	HQFVCCQTLFIOCU-VXGBXAGGSA-N	421.328	5.249	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nccc2ccccc12	682995322	SVMDKFBDWMHJFD-MRXNPFEDSA-N	405.429	5.786	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)N(C)c3ccc(C#N)cc3F)cccc2c1=O	726367422	BWSPSPZTHOHXEV-UHFFFAOYSA-N	412.420	5.056	30	20	HKED	
CCOC(=O)c1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)sc(C)c1CC	726437471	HNELKGKGUXJXFE-UHFFFAOYSA-N	407.948	5.130	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=S)NCCc1ccc(Cl)cc1Cl	726471197	HGODAMHRXMRAOU-UHFFFAOYSA-N	409.382	5.107	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1Cl	727626956	JMOYVSAXZUTHFO-BCTQVIJGSA-N	407.684	5.398	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	731331991	ZKAKIDIFNOCYML-RUZDIDTESA-N	423.472	5.253	30	20	HKED	
N#CCCN(C(=O)COC(=O)c1cc(-c2ccccc2)ccc1Cl)c1ccccc1	732407012	VVQDOGPJENLULD-UHFFFAOYSA-N	418.880	5.111	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	732497028	KBGOQYUYPSIFMK-BEFAXECRSA-N	403.532	5.286	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnc(-c3ccccc3Cl)s2)c1	733775430	UTOPNOGXQISQIT-HNNXBMFYSA-N	411.914	5.074	30	20	HKED	
C#CCOc1ccccc1CNC(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1	734172535	WLZBEPVTZFNZDO-INIZCTEOSA-N	404.432	5.010	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccccc3F)s2)cs1)C1CC1	734305868	GXMOBTOKQSQZIJ-TWGQIWQCSA-N	412.511	5.422	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ncoc2-c2ccccc2Cl)cc1	741900833	BYCOZFMSWGLWQE-FQEVSTJZSA-N	413.864	5.903	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	741923907	AKTMXQBVIRYYBV-UHFFFAOYSA-N	412.436	6.029	30	20	HKED	
O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccc(-c2ccc(C(=O)O)o2)cc1	743058403	YKKYJYNXTZBOTH-KMKOMSMNSA-N	412.401	5.123	30	20	HKED	
CS[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	743117731	XOSAKZVLTFGUDN-RHSMWYFYSA-N	401.919	5.410	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1	744027773	CVDITLXCSSFFBX-GOSISDBHSA-N	422.554	5.062	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)o2)cc1	745351034	CUNMNTRVSVVWDS-HSZRJFAPSA-N	423.472	5.068	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1	746346550	ROCNTRDHFDOJKX-YFHOEESVSA-N	402.420	5.181	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1OC(F)F	753400476	PZSZXQSRZJBIPL-KOTGUFOOSA-N	418.852	5.831	30	20	HKED	
Cc1ccc(Cl)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	753532226	IVMCACKTDBZVPG-IBGZPJMESA-N	404.853	5.402	30	20	HKED	
N#CCn1cc(NC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)cn1	755202317	NQJGDILUEZNIJZ-UHFFFAOYSA-N	403.294	5.117	30	20	HKED	
C[C@@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	756244704	VNXSUOQJLPYBGA-WFASDCNBSA-N	403.429	5.175	30	20	HKED	
C#CC[C@@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1	756997551	XMMDWPNMYMNFCS-HSZRJFAPSA-N	423.343	6.100	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(F)c(Cl)c1)[n+]1ccc(C(CC)CC)cc1	759055066	RPYWAOVOPQRKSZ-UHFFFAOYSA-O	417.957	5.104	30	20	HKED	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C\C(=O)c2c[nH]c3ncccc23)c1	761813755	XBVPMRVTLXTHJW-KHPPLWFESA-N	400.482	5.086	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H]2c2cccc(C)c2C)c1=S	765031947	XVICLGYGRIBBEV-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CC(OCc3ccccc3)C2)cc1	766238726	UUJGILVNDQYTFY-STEQJIOHSA-N	411.505	5.211	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)c2csc(-c3ncccc3F)n2)cc1	768661799	LCIJPSLBUQODQZ-UHFFFAOYSA-N	415.449	5.240	30	20	HKED	
N#CCCn1cc(CNc2cccc(COc3ccccc3)c2)c(-c2ccccc2)n1	770493868	COZGCYJFGUMHHJ-UHFFFAOYSA-N	408.505	5.655	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](c1ccccc1)C1CCOCC1)c1ccc(F)c(F)c1	773288331	AMZNSOYGYHIJIJ-VXKWHMMOSA-N	400.469	5.049	30	20	HKED	
COc1ccc([C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1Cn1cccn1	774475554	HJCSIGJOFDBFSR-HXUWFJFHSA-N	422.532	5.329	30	20	HKED	
COc1ccc2cccc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	780327476	IBULBMUZHUZXEZ-QFIPXVFZSA-N	423.497	5.263	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1	780459392	QZIKPKTVUXRRJJ-CQSZACIVSA-N	418.419	5.240	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)NCc2ccc(C#N)cn2)c(C(F)(F)F)c1	782033580	NUJLPIFWXKZJIY-LBPRGKRZSA-N	408.449	5.184	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccccc2F)CC1)c1nc2cc(C(F)(F)F)ccc2s1	785879553	BPYTUOCXKGMNEG-AWEZNQCLSA-N	418.415	5.653	30	20	HKED	
CC(C)c1ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	787054080	RVJAVXLQWRACSB-FZKQIMNGSA-N	403.309	5.317	30	20	HKED	
O=C(/C=C\c1ncc(C(F)(F)F)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	788353896	JVUIBJIVQVDOOQ-SCXUMTSISA-N	415.408	5.145	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1	789125697	ZTAUKAAISWZJKJ-GCJKJVERSA-N	407.514	5.053	30	20	HKED	
N#CCc1ccccc1CC(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1	794909293	CXOFYSMQWWEKIJ-XMMPIXPASA-N	418.924	5.023	30	20	HKED	
O=C1/C(=C/c2ccc(OCc3ccncc3)cc2)CCc2nn(-c3ccccc3)cc21	794957910	QBDDTCQUXCARGU-LTGZKZEYSA-N	407.473	5.059	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1sc2ccc(C#N)cc2c1C	796625816	LCCCUJWRQXOZRB-MRXNPFEDSA-N	420.534	5.697	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc2ccc(Br)cc12)c1nccc2ccccc12	796901971	YEZDNQAOHSPVGO-SFHVURJKSA-N	421.319	5.631	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12	808010957	LPOKROFXKRGTFP-UHFFFAOYSA-N	411.841	5.016	30	20	HKED	
N#Cc1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)nc2ccccc12	809077607	SDESSBSLDCSSLX-UHFFFAOYSA-N	412.063	5.367	30	20	HKED	
O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ncccc1C(F)(F)F	809325906	GBECHONNTZKFEU-GFCCVEGCSA-N	417.227	5.580	30	20	HKED	
N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(/C=C3\Cc4ccc(C#N)cc4C3=O)cc1)C2	811696508	UCLOZEXNRIEIGD-NFXRTZMGSA-N	412.448	5.075	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc(CC[C@H](O)c3ccccc3)c2)c1	864036962	KJHLJFUHCOVCRF-QHCPKHFHSA-N	421.338	5.599	30	20	HKED	
N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F	915106901	IEUGRUPQPSRSDN-HNNXBMFYSA-N	419.884	5.834	30	20	HKED	
CCc1cccc(CC)c1NC(=S)N(Cc1ccc(C#N)cc1)CC(F)(F)F	916013039	YFWVCDWMVCFMAA-UHFFFAOYSA-N	405.489	5.444	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(F)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	916976105	JOPDSZFSCIAVKT-CQSZACIVSA-N	421.280	5.511	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3c[nH]c4ccccc34)n2)cc1	920140854	GNBSIPMSEQVIDD-FQEVSTJZSA-N	410.502	5.362	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3CCC(F)(F)CC3)CC2)C1	1804859863	QJPBXINHMWNNIF-UHFFFAOYSA-N	424.576	5.036	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C)c2)[nH]n1	1819555410	FUJSOZSCPVWUTC-FQEVSTJZSA-N	408.546	5.016	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820906138	MYIOIPZNPLNOBN-STNJVZKESA-N	424.589	5.307	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccccc1CC	22732064	PJXXEZAXNBHXQP-UHFFFAOYSA-O	409.600	5.520	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1	25841306	YLWBAEPVSJEAJU-UHFFFAOYSA-N	417.490	5.799	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)s1	32288966	BNDMSRLCYPBCOM-UHFFFAOYSA-N	404.491	5.109	30	20	HKED	
N#Cc1cc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)ccc1Cl	109385642	ABJUJZNNIQHYMK-UHFFFAOYSA-N	420.881	5.292	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3ccc(-c4ccc(Cl)cc4)s3)CC2)nc1	237766723	TVCCWZSQUKUHKN-UHFFFAOYSA-N	408.958	5.094	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCCOc1ccccc1Cl	255931050	ROOFYGUDDDHTOL-UHFFFAOYSA-N	419.909	5.007	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	255941800	WZYXJVDSSUOQEA-UHFFFAOYSA-N	423.335	6.033	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1CCC(F)(F)F	410389742	OOMSWPSIHNHUHP-UHFFFAOYSA-N	409.301	5.514	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1-c1ccccc1	428630375	XEIMVPIDXOIGBA-UHFFFAOYSA-N	418.472	5.177	30	20	HKED	
Cc1cnc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	429094385	DBWLZEHIKUZKPU-RDTXWAMCSA-N	410.930	5.643	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)Nc1sc3c(c1C#N)-c1ccccc1CC3)CC2	432746427	CCYBRCSEJYKMFT-GOSISDBHSA-N	400.503	5.062	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1OCCc2sccc21	433139936	ZAYFWHYLKZRGNW-IVZQSRNASA-N	419.506	5.236	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1OCCc2sccc21	433139938	ZAYFWHYLKZRGNW-OYHNWAKOSA-N	419.506	5.236	30	20	HKED	
CN(C)[C@H]1CCOc2c(NCc3cccc(OCc4cccc(C#N)c4)c3)cccc21	433204655	CEGCJRJWLMDAQC-VWLOTQADSA-N	413.521	5.135	30	20	HKED	
CC(C)(CO)[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccs1	436506610	WUGIXODGGRRPBC-OAQYLSRUSA-N	421.522	5.293	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N(C)C[C@H](C)C#N	438625695	QMRIDCPETGVBHF-OAHLLOKOSA-N	407.493	5.355	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	439477780	MFVLGCXZRISDSD-JOCHJYFZSA-N	404.514	5.372	30	20	HKED	
CCCc1c(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cnn1-c1cccc(C#N)c1	440075428	IWDBBFHVOMLHDM-DLBZAZTESA-N	404.436	5.004	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1ccc(C(F)(F)F)cn1	442611866	VCMVIJWPCVDNFL-OAHLLOKOSA-N	420.312	5.675	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C4CCCC4)nc3C)n2)cc1	442668988	AOAVMKWWVLMASZ-KRWDZBQOSA-N	407.564	6.031	30	20	HKED	
N#C[C@@H](NC(=O)CCC(=O)c1csc2ccccc12)c1cccc(C(F)(F)F)c1	446048931	XDCYYOZMARGFKC-QGZVFWFLSA-N	416.424	5.264	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1	447478823	GLCXJOLRVCVBFW-UHFFFAOYSA-N	423.419	5.111	30	20	HKED	
CCCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F	463932535	LNIUYAROMUKYMG-XDHUDOTRSA-N	419.475	5.363	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)c(C)c1	464411633	QJFJVNKXDGSTQV-HNNXBMFYSA-N	401.413	5.331	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(-c2ccncc2)cc1	469996455	NQYNJRPDUGFTJQ-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cc(F)ccc2F)cc1	473508973	REZFXIOKZCEWBW-UHFFFAOYSA-N	408.473	5.101	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccccc1	474911658	ULCOYUHAXIVJSE-SFHVURJKSA-N	407.901	5.275	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(OCC(F)(F)F)c1	475570988	KQUMXXDQGIYVBU-UHFFFAOYSA-N	406.448	5.801	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2occc2COc2cccc(C#N)c2)c1C1CC1	477561633	IAVJPVUPUHMCER-HNNXBMFYSA-N	404.470	5.027	30	20	HKED	
N#CCCn1ccc(NC(=O)N[C@H](CCCCc2ccccc2)c2ccccc2)n1	478710595	ANDUJVVETDSSPP-JOCHJYFZSA-N	401.514	5.073	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)N(C)c3cc(Cl)ccc3C#N)c12	479566967	DZKQOQCGQHEIRZ-UHFFFAOYSA-N	420.856	5.237	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(C)cc1	481347532	YPTMDPXNTVSXJH-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
CC(C)CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCCc2cccnc21	481422753	LSZSWUNHBRTCPS-XMMPIXPASA-N	414.553	5.168	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC)c1ccc(F)c(F)c1	483288843	KFBPQDBOMMRFEC-VXKWHMMOSA-N	424.495	5.498	30	20	HKED	
C=CC[C@H](C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC)c1ccccc1	488724621	YITSULPUDXFJSK-NRFANRHFSA-N	406.526	5.010	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	494577557	DQJROBQURBPQHD-SKDRFNHKSA-N	422.316	5.312	30	20	HKED	
C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	498094169	IOLJTUSTECUKRK-BBRMVZONSA-N	400.466	5.245	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1c(Cl)cccc1Cl	499809330	GVDLHVSVZKJJPO-KRWDZBQOSA-N	414.317	5.534	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(F)cc2Cl)cc1	499864460	SUYVGAFZLVXIFA-UHFFFAOYSA-N	424.928	5.616	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccccc1Cl	499925512	DMSAJDSBUVZFML-QFIPXVFZSA-N	416.864	5.660	30	20	HKED	
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(OCCCC#N)c1	502677129	FHWPOMXTRHESMZ-UHFFFAOYSA-N	406.408	5.098	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cs2)cc1	502751581	BABLAFGWGHNKMV-MRXNPFEDSA-N	419.531	5.697	30	20	HKED	
C[C@@H](c1ccccc1Br)N(C)C(=O)CCCCOc1cccc(C#N)c1	503587946	BAQBYVLIHATRFI-INIZCTEOSA-N	415.331	5.089	30	20	HKED	
COc1cccc(/C=C(\CC(=O)NCCCCC#N)c2nc3ccccc3s2)c1	505054431	LKHKWULXIRLVTK-NBVRZTHBSA-N	405.523	5.046	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	505815686	PDJNQPVPIKPOOF-OAHLLOKOSA-N	404.228	5.091	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1ccccc1F	505933069	DXCBUNVZZFGCID-OAQYLSRUSA-N	415.399	5.281	30	20	HKED	
Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(C#N)cc1Cl	508111805	VFEWDSSMSGEDGI-UHFFFAOYSA-N	416.662	5.190	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1	508277964	JCHUBAXGJKOKHL-UHFFFAOYSA-N	419.506	5.617	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1ccoc1C	516271080	AQOFGQAYJGKGIA-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)s1	518053910	UWFBPQUVUAKXFF-FQEVSTJZSA-N	419.554	5.394	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	518125396	NLMKWENKJDWVLH-UHFFFAOYSA-N	402.429	5.170	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1	519424955	NVMMTLOKYZCVGY-AWEZNQCLSA-N	411.527	5.382	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	521886361	TWKAUNZHJFHHHU-ZQIUZPCESA-N	424.125	5.240	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccco4)cs3)cc2)cc1	521951261	WTRHRSMFMMEQKY-UHFFFAOYSA-N	401.447	5.514	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1	522605681	LVDMEJODSBEBKY-LJAQVGFWSA-N	411.571	5.050	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1	523884678	XORCQBHWKCQFJF-OAQYLSRUSA-N	403.869	5.376	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1nc2ccccc2[nH]1	524250528	HQHAOVJVHJICFE-UHFFFAOYSA-N	424.504	5.283	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCSc2ccccc21	525155191	MZSMUAFWSSXPTL-IBGZPJMESA-N	401.491	5.272	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)o1	531271259	IKVWOXYDCBRERL-JOCHJYFZSA-N	421.541	5.013	30	20	HKED	
C=CCC[C@@H](NCc1cnc(-c2ccccn2)s1)c1ccc(C(F)(F)F)cc1	533528257	MORJFBMVDJYSJH-GOSISDBHSA-N	403.473	6.021	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1	534478536	CPJBGPWQMVTDAL-INIZCTEOSA-N	418.994	5.168	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)c1	538445836	NDPADJVCXGQTCN-UHFFFAOYSA-N	400.194	5.285	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1	540577665	DERJFBUVLOWMSX-MRXNPFEDSA-N	418.362	5.089	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(C(F)(F)c3ccc(F)cc3)no2)c2ccccc21	544489332	ITQUIIYBWPESQW-WDZFZDKYSA-N	408.383	5.388	30	20	HKED	
N#Cc1ccc(-c2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)cc1	545617819	OIQLTHNDNBETAG-UHFFFAOYSA-N	403.445	5.187	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C	546002407	HMRZZFGUVHEAFG-CYBMUJFWSA-N	410.474	5.021	30	20	HKED	
C[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1Cl	551569959	BEHLBUYDVGSZAK-QKKBWIMNSA-N	422.878	6.049	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	553070982	FLKWCLXIJNWHBE-INIZCTEOSA-N	405.523	5.422	30	20	HKED	
Cc1c(C(=O)Nc2cccc(OCc3cscn3)c2)sc2ccc(C#N)cc12	555696053	UWCHCHNZJHHCAR-UHFFFAOYSA-N	405.504	5.369	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccsc2Cl)cc1	557347052	APAPKWMEGYELHJ-UHFFFAOYSA-N	412.898	5.064	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	558740369	GUHMRTWQIYSLEG-UVUJQTEASA-N	419.594	5.287	30	20	HKED	
N#CCCC[C@@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccccc1	560561406	INDSSSUPZFBKLM-QGZVFWFLSA-N	409.274	5.575	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)cn2)nnc1-c1ccc(Br)cc1	562140361	BIVANGIWOLTMDL-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1cc(C)ccc1C	572709942	YSRWYVPEGNMFBP-QHCPKHFHSA-N	402.542	5.139	30	20	HKED	
Cc1csc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1C#N	582511288	NWNOPQYFNJZXMQ-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Br)c1Cl	583643732	WFYUBAXVYYIDOX-UHFFFAOYSA-N	404.695	5.194	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccc(OCc2ccccn2)c1	589504908	ZUCFFDFCQDFIEZ-INIZCTEOSA-N	411.427	5.402	30	20	HKED	
COc1ccc(CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cc1	603656342	NJMVNVLLNLQLEH-UHFFFAOYSA-N	405.542	5.373	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1c(F)cccc1Cl	605479661	SMYAJATZZZGYNK-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(Cl)c1	609018847	UYXFGDZYFAYSAQ-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056391	POFAIMBAGXXFQL-SFHVURJKSA-N	400.478	5.171	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(C(C)C)nc1C	609061120	JXGLSPAXPAKPIZ-UHFFFAOYSA-N	405.523	5.586	30	20	HKED	
CC[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1c(C)noc1C	609061165	UAXGFWXOHCHRKD-NRFANRHFSA-N	403.482	5.183	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCCCc1ccc(Br)cc1	609378738	KFPMDENHDJZHAG-UHFFFAOYSA-N	417.372	5.806	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C(=O)NCc1ccccc1)c1ccccc1	609387332	YCDUYNLJVRFVBI-CYFREDJKSA-N	415.562	5.408	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	609413885	CBERPBQVBBSETR-QZTJIDSGSA-N	403.309	5.442	30	20	HKED	
CC(C)n1cc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc2n1	609835908	QAFXSNBMJAMFIQ-UHFFFAOYSA-N	412.518	5.892	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	609912105	PJMWRLWVKVARPQ-MRXNPFEDSA-N	408.885	5.087	30	20	HKED	
COc1cccc([C@@H](NC(=O)CSc2ccc(C#N)cc2)c2ccccc2Cl)c1	610180973	MPVVUGJKLNLXNY-HSZRJFAPSA-N	422.937	5.218	30	20	HKED	
C[C@H](NC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cccc(C#N)c1	610400546	SLYZCGKKXIYTJN-XCHHMKERSA-N	407.517	5.216	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)C1	612305327	ZYBXJYFDNFHPOK-HSZRJFAPSA-N	404.445	5.324	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C(F)(F)F)cc1	676761790	HORBPDSNTPNBLC-NRFANRHFSA-N	413.443	5.388	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728764118	NHHPZKCWHMOZGZ-JOCHJYFZSA-N	419.440	5.346	30	20	HKED	
N#CCCCCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12	728851828	FXWVZMHNLVPKHI-UHFFFAOYSA-N	408.299	5.088	30	20	HKED	
COC(=O)Nc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	733132332	UJRGVUQHIDBJCI-LJQANCHMSA-N	419.868	5.426	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(N4CCCCC4)c3)c2)c1	734319259	NKWBSEXJLZHLDL-UHFFFAOYSA-N	411.505	5.380	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1cc(Cl)ccc1Cl	735319967	HARCXFBJKUNEHG-UHFFFAOYSA-N	415.729	5.421	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCCOc3cccc(Cl)c3Cl)[nH]c12	735787741	FKZICLOUXNUDBR-CYBMUJFWSA-N	402.281	5.214	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1sccc1C#N)c(C)n2Cc1ccccc1	737469810	SXCLNQQVOSMPEY-UHFFFAOYSA-N	401.491	5.192	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	739156824	QVXCBSNMICUXNC-WFASDCNBSA-N	421.369	5.505	30	20	HKED	
COc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC(C)C	739748493	ACZIAKHBURLLES-UHFFFAOYSA-N	406.507	5.013	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1	740763639	FGIOHDNLVWLQCZ-QXMHVHEDSA-N	407.901	5.056	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3OC)cc2)c([N+](=O)[O-])cc1OC	741468830	ICDPWIUHCMBPLI-SEYXRHQNSA-N	419.433	5.184	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1SCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	744074300	MRZBUGSLQULXBS-JLTOFOAXSA-N	412.486	5.295	30	20	HKED	
C[C@H](OC(=O)C1(C#N)CCCCC1)C(=O)N1c2ccccc2Sc2ccccc21	744863276	PPTWPQREEUTJOG-INIZCTEOSA-N	406.507	5.222	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(CCc2ccccc2F)C2CCCC2)c1=S	746070466	PBKQBDFCZHMYLU-UHFFFAOYSA-N	400.567	5.061	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1ccc2ccccc2n1	750679615	CPKTUHLNTKKBJO-RDTXWAMCSA-N	417.921	5.793	30	20	HKED	
C[C@H](ON=CC(=O)Nc1ccccc1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753822474	WZCGOAZVGLNHLQ-LBPRGKRZSA-N	404.253	5.351	30	20	HKED	
Cn1cc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21	756257924	SUGGAVISAKOSTA-INIZCTEOSA-N	421.472	5.389	30	20	HKED	
C#CCCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1	757810806	DTDDQFCUVFNXHL-HNNXBMFYSA-N	423.365	5.432	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1	766427948	OBBXOXZEDDWRGJ-IRLDBZIGSA-N	407.558	5.278	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1	767742177	UQQQZTYQDDVBKF-GFCCVEGCSA-N	400.347	5.252	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@H](C)c1ccc(Br)cc1	770528937	FMIRUWBZOAGXOJ-INIZCTEOSA-N	422.326	5.078	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)s1	773978245	AFWGMQVQASMDLB-OAHLLOKOSA-N	409.898	5.042	30	20	HKED	
C=CC[C@H](C(=O)OCc1csc(-c2cccc(OC)c2OC)n1)c1ccccc1	778427919	GRMPGAACICZPTJ-SFHVURJKSA-N	409.507	5.230	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC(C)C)cc2Cl)c1	782102595	GDVHYDAXMKVWBF-INIZCTEOSA-N	401.894	5.130	30	20	HKED	
CN(C(=O)c1nc(Cl)ccc1F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783533084	NKHMJQLGNACJKK-ZDUSSCGKSA-N	414.708	5.269	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(Cl)cn3)cc2Cl)c1	786089488	NJGJQDBFJKDNCG-UHFFFAOYSA-N	412.276	5.020	30	20	HKED	
COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1csc(-c2ccc(OC)cc2)n1	787177083	DXZXTVNAYPFGBR-POHAHGRESA-N	413.882	5.155	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)c(-c2ccccc2)n1	788353990	DDSQMGWMQVNQBT-VAWYXSNFSA-N	404.473	5.422	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1	790629850	RVGLVLSOBQCOQC-XZOQPEGZSA-N	403.526	5.345	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)cn1	792865916	JKZRNFBRHALYOB-XFXZXTDPSA-N	417.484	5.178	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)s1	797573775	WORULAUMKLNFEA-CYBMUJFWSA-N	423.365	5.977	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC=C(c3cccc(Cl)c3)CC2)cc1C#N	797637171	FVAFIBSHYXKXQL-UHFFFAOYSA-N	424.888	5.101	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC(C)(C)CCC#N	798878510	IUWRTOZTEMHQFR-AWEZNQCLSA-N	406.935	5.490	30	20	HKED	
N#Cc1sc(Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)nc1Cl	804618525	SVUKGERWPQECSW-UHFFFAOYSA-N	407.257	5.457	30	20	HKED	
O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccc(C(F)(F)F)cn1	809126952	YYXIRFUTEMMWMR-GFCCVEGCSA-N	417.227	5.580	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2ccc(Br)c(Cl)c2)s1	810823359	CUPOJYBGLUSFNU-NSHDSACASA-N	411.752	5.275	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1	815788622	KIMVUHIOQOWEAM-OAQYLSRUSA-N	423.582	5.376	30	20	HKED	
N#C[C@H](C(=O)Cc1cscc1Br)c1nc2cc(Cl)ccc2s1	815913197	KKLIMFQDANOGRO-SNVBAGLBSA-N	411.733	5.193	30	20	HKED	
Cc1c(-c2nc(-c3cccnc3Oc3ccccc3)no2)sc2ccc(C#N)cc12	904453799	VHHBUNQNRQJBNO-UHFFFAOYSA-N	410.458	5.986	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCOCCc2ccccc2)cc1	916708026	GNHMJSHBEWIEAU-RUZDIDTESA-N	413.521	5.113	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc(-c2ccccc2)cs1	917026502	FVAAGVYTBHUGJL-SFHVURJKSA-N	418.905	5.872	30	20	HKED	
C=CCN(Cc1ccccc1F)Cn1nc(-c2ccccc2Cl)n(C)c1=S	918182026	MYXVNEFBJAKDBL-UHFFFAOYSA-N	402.926	5.056	30	20	HKED	
CC(C)Cc1ccc([C@H](NC(=O)c2ccccc2OCC#N)c2cccs2)cc1	919987714	PMQLHKHSRLFQPU-QHCPKHFHSA-N	404.535	5.368	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3scnc3CC)cc2)CCC1	1790197264	QHACBDOOCDBZHI-LJQANCHMSA-N	423.582	5.222	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2cccc(O)c2)C(=O)c2ccccc2)c(Cl)c1	7913424	RZKIEDBNILHXAM-XSFVSMFZSA-N	405.881	5.567	30	20	HKED	
O/C(=N\c1nncs1)c1ccccc1SCc1ccc(Br)cc1	49620553	MENQQBINFIKIJM-UHFFFAOYSA-N	406.330	5.229	30	20	HKED	
C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1	58932021	RBWHSHUQCWVTCB-UHFFFAOYSA-N	409.530	5.198	30	20	HKED	
CCCCOc1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1OCC	60097749	DKHUUQPBSJQIQG-PKNBQFBNSA-N	409.482	5.117	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	61187120	CARLKDBTNWOFCI-UHFFFAOYSA-N	419.550	5.646	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)o2)c(C)c1	66005069	UREQMCDUKISYRR-KRWDZBQOSA-N	414.383	5.379	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)COc2ccccc2C#N)cc1Cl)c1ccccc1	109571751	ZYHQJYYQVQGXKN-MRXNPFEDSA-N	405.885	5.402	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1	116712526	LXFBHBFBATWVAS-UHFFFAOYSA-N	401.944	5.702	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCSc3ccccc32)cc1C	150335211	DXBSETRWCCSYOU-OAQYLSRUSA-N	416.550	5.048	30	20	HKED	
O=C(c1ccccc1)C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1	195583455	PLYMAAAJOLITGB-UHFFFAOYSA-N	408.501	5.213	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	195662717	FXWDAFWEFUQOOX-HXUWFJFHSA-N	417.534	5.387	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	303449675	JEJCFHIFUUEKEA-HZPDHXFCSA-N	412.238	5.284	30	20	HKED	
CCN(Cc1nc(-c2ccc(Br)s2)no1)[C@H](C)c1ccc(C#N)cc1	303633729	ZDHVQWGGKATRQG-GFCCVEGCSA-N	417.332	5.015	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	428057520	OGJJQVNCFBZMKK-UHFFFAOYSA-N	422.916	5.579	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1	429358746	XITKFEKEUWJTAS-HNNXBMFYSA-N	417.469	5.171	30	20	HKED	
C[C@@H](Cc1ccccc1Br)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431299141	WDGNBKIUWQNMMN-JXFKEZNVSA-N	414.347	5.114	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)c(C)c2c1	431927327	QUXFTVGAWHRVEW-DYESRHJHSA-N	405.498	5.545	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1ccccc1	433002044	VRODGQZWOLBGBE-LJQANCHMSA-N	419.460	5.310	30	20	HKED	
CCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(F)(F)F)n1	435781044	ZIAUPXFSLCRDBG-GFCCVEGCSA-N	424.835	5.189	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccccc1	437407045	CLHFJOVKZCJTCL-YNJKOYDBSA-N	422.569	5.319	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl	438057492	VAAQTPOOYGGEBF-QAPCUYQASA-N	407.823	5.662	30	20	HKED	
COc1ccc2cc([C@H](C)SCC(=O)Nc3cc(Cl)ccc3C#N)ccc2c1	438791804	HEIWKVKAUKUKJV-AWEZNQCLSA-N	410.926	5.806	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1	439478133	LTYTVQUPLHIYEP-NRFANRHFSA-N	414.440	5.656	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1ncc(-c2ccc(Br)cc2)o1	441282302	HVTVIXJSCSOLRX-UHFFFAOYSA-N	408.299	5.164	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cnn(CC(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	442223413	QOXUDDSOFGLZJT-HNNXBMFYSA-N	420.357	5.293	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1C(F)(F)F	443877096	JNMMHWCVGOCEPE-UHFFFAOYSA-N	421.325	5.082	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2c(F)cc(C#N)cc2F)cc1	445793516	JJIXBGOLAUBABA-QHCPKHFHSA-N	405.448	5.046	30	20	HKED	
C[C@]1(c2ccccc2)CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	446823338	LKGBDNODIZSECQ-SANMLTNESA-N	424.504	5.006	30	20	HKED	
O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N(Cc1ccc(F)cc1)CC(F)(F)F	460470755	JVGDIQDLJLZMAC-DLBZAZTESA-N	419.340	5.539	30	20	HKED	
C[C@H](O)C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1	469512445	RPEPZHQLNFGUAJ-GHTZIAJQSA-N	415.493	5.027	30	20	HKED	
N#CCCn1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)n1	470365757	SMACESWJOJGAPR-UHFFFAOYSA-N	415.375	5.252	30	20	HKED	
CC(C)(C)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470539714	LTSPRBNUUMZMHL-HSZRJFAPSA-N	418.541	5.178	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21	475576313	WBTMSSLJXNRZBT-JOCHJYFZSA-N	406.574	6.049	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1	475762001	SMSRDSQVGMHNDK-MGPUTAFESA-N	421.299	5.120	30	20	HKED	
COc1ccc(CSc2nnc(SCc3ccc(Cl)cc3C#N)s2)cc1	479193737	LFKUHQFQEUVOPP-UHFFFAOYSA-N	419.984	5.656	30	20	HKED	
CN(C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCC(F)(F)CC1	481300035	IOLMYGUWHHZGOO-ZDUSSCGKSA-N	418.328	5.528	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H]1CCc2ccc(F)cc21	481378084	SCJQEVDTQIOAQX-AUUYWEPGSA-N	400.544	5.579	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccnc1-c1ccc(Cl)s1	482451532	WMRKGSBSLWUNNN-UHFFFAOYSA-N	417.918	5.159	30	20	HKED	
COc1cc(C)c([C@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	482964860	QTYPMYMDLNGFOX-KRWDZBQOSA-N	416.477	5.167	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(F)c(F)c1	483293872	NARJDHALIZAHQM-OAQYLSRUSA-N	410.468	5.048	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1csc(-c2ccccc2)n1	483342299	PHRAJHNYBCWQHB-INIZCTEOSA-N	422.579	5.426	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	484192217	MGYVLMPFMZLYLQ-KRWDZBQOSA-N	417.513	5.452	30	20	HKED	
CC(C)(C)c1cc(NC(=O)N2Cc3cccc(Cl)c3C2)n(-c2ccc(C#N)cc2)n1	485479277	IUMOBQSMCGECDB-UHFFFAOYSA-N	419.916	5.243	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1	487173711	AQKIAPVTERZIFV-HSZRJFAPSA-N	413.452	5.655	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)o1	489657876	ITNURNMEDQYUOY-UHFFFAOYSA-N	423.519	5.492	30	20	HKED	
C[C@H](c1ccc(Cl)c(Cl)c1)[S@](=O)Cc1cc(C#N)ccc1Br	491720172	MDVYFSACSOWCEY-ZQJOYCHOSA-N	417.155	5.637	30	20	HKED	
CCC(=O)c1ccc(OCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	500737791	JPMOHUNMUFGUHQ-UHFFFAOYSA-N	414.461	5.269	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1cccc(Cl)c1Cl	505329051	ATHUKMDSPZJODU-MRXNPFEDSA-N	418.255	5.101	30	20	HKED	
CC(C)(C)n1cc(C(=O)N[C@H](C#N)c2ccccc2F)c(-c2ccccc2Cl)n1	505944998	XRLWRFLBRVJRMY-LJQANCHMSA-N	410.880	5.092	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C#N)c3ccccc3F)o2)cc1	505975317	DBYAUPGDRDCNJP-JOCHJYFZSA-N	411.436	5.451	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1	506483947	DADPWMGIHFJKTO-UHFFFAOYSA-N	417.534	5.171	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1ccc(C(F)(F)F)cn1	507031557	LASKYYPNHBJGJH-GOSISDBHSA-N	416.786	6.036	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2)cn1	510184444	IECLMXPOTDRHHC-UHFFFAOYSA-N	403.507	5.033	30	20	HKED	
CC(C)Oc1ncccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513996727	LESKBEPXSQGPNN-UHFFFAOYSA-N	418.472	5.114	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccc(Cl)c(Cl)c1	517605211	LCRCVEIPAIKSIQ-QGZVFWFLSA-N	405.672	5.032	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cccs4)n3)n2)cc1	518516591	MGOGJVFAYGWWME-AWEZNQCLSA-N	418.528	5.357	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](c1ccc(F)cc1)c1ccc(OC)cc1	519013428	CFKNZGQTRPRIJR-XMMPIXPASA-N	422.475	5.461	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	520714315	NEWAEBIBYBYEJH-RPWUZVMVSA-N	414.480	5.351	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](COc1ccccc1)c1ccccc1	520789880	ILGUQGDMSOZWAU-RUZDIDTESA-N	413.521	5.299	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Br)s1	520857939	FSXIUEJWCVRYOH-GFCCVEGCSA-N	424.389	5.426	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(OC(F)F)cc1	521326594	YYKYUKSTJTVJNX-HNNXBMFYSA-N	423.419	5.391	30	20	HKED	
CCc1nc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cs1	522954091	ZUWNFDMUUCPWCB-UHFFFAOYSA-N	422.510	5.042	30	20	HKED	
C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	523456679	OHSHQVZNCIXDKC-INIZCTEOSA-N	401.441	5.641	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	524664362	LUNRRKZZFJURBX-UHFFFAOYSA-N	410.477	5.666	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2ccccc2SCCC#N)cc1OC	524674448	IPIFLENTFCURBK-UHFFFAOYSA-N	404.919	5.395	30	20	HKED	
C=C[C@@H](CC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	530511567	VNJISJJERHOOHY-FDDCHVKYSA-N	403.501	5.629	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccoc1)C1CCCCC1	533294941	IZZIJNNBMWYADQ-SFHVURJKSA-N	411.571	5.447	30	20	HKED	
CN(C)Cc1ccc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	534968823	APVHBBVZOVRRRJ-UHFFFAOYSA-N	408.361	5.215	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C1CC1	535695881	KDUZXAUCFPNBIT-QGZVFWFLSA-N	414.509	5.434	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cn1)c1ccccc1	536617450	GAXNVAYWBGCLAW-LJQANCHMSA-N	409.489	5.023	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(C2(C#N)CC2)cc1	537430837	NDLSUVNTQMOJPB-UHFFFAOYSA-N	413.521	5.382	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)sc2c1CCCC2	538403180	LOFLUGZXUSVNRT-ACJLOTCBSA-N	404.894	5.007	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F	539288397	HPBKNXDRQXCUDL-KDOFPFPSSA-N	403.498	5.038	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(C(F)(F)F)cc1	540433910	BCRDFBHEQQSRFB-GOSISDBHSA-N	421.850	6.206	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1	541398898	PHOFCHPUUCKSPF-QHCPKHFHSA-N	418.585	5.050	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1	543278968	KDXMVHBWHNXPQA-IEBWSBKVSA-N	422.598	5.384	30	20	HKED	
CC(=O)N1CCc2c(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cccc21	545270899	ZYWOIXABYAUWJI-QGZVFWFLSA-N	424.504	5.017	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)c(OC)c(OC)c1	556439451	RQLQHXHKNGKCGF-UHFFFAOYSA-N	418.331	5.571	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1	561204305	FFFNJVUYEYBQPD-AWEZNQCLSA-N	408.502	5.149	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)OC)c(Br)cc1C	567197914	OZERCLDQLXRJRB-UHFFFAOYSA-N	420.328	5.075	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cc3ccccc3o2)cc1	576064151	GVJYPYISAXBTST-UHFFFAOYSA-N	413.433	5.427	30	20	HKED	
Cc1noc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	583650362	ZOEUCJRZBSDRJD-UYAOXDASSA-N	421.888	5.056	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(Cl)cc1Cl	583711032	DGMWQSOSVBIAAM-UHFFFAOYSA-N	421.353	5.346	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc2ccccc2n1	587988719	JMSHUYFYTDMAHN-MRXNPFEDSA-N	423.419	5.867	30	20	HKED	
Cc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)sc2ccc(C#N)cc12	590068722	WDFPHIDNHWECDW-MRXNPFEDSA-N	401.491	5.242	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)c4cccnc34)s2)cc1	603557771	XONCRMZWOLDGRW-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	603692455	WSIWCCNYODOUBO-QGZVFWFLSA-N	416.481	5.415	30	20	HKED	
Cc1cc(C)n(-c2ccc(CNc3ncc(C#N)cc3Cl)c(C(F)(F)F)c2)n1	608885225	FHSBCHXFNDHAHR-UHFFFAOYSA-N	405.811	5.040	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1sc(-c2ccccc2)nc1C	608984932	CAVSWEFABYRNRO-UHFFFAOYSA-N	404.539	5.112	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(Cc3cccc(F)c3)o2)cc1	609008503	CZDLEEOLHBBEJW-UHFFFAOYSA-N	401.466	5.630	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C2CC2)no1	609046259	AUSALUJXNDXUNC-FQEVSTJZSA-N	417.469	5.130	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Cc1cccc(F)c1	609060505	GJEMECKBWBLPRA-SFHVURJKSA-N	402.469	5.402	30	20	HKED	
C=CCN1CCC(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)CC1	609266444	XNJINHPIXRPSIW-UHFFFAOYSA-N	420.578	5.246	30	20	HKED	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	609436716	DEZKCAMSLFDNBP-AWEZNQCLSA-N	422.381	6.442	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1	609982144	ATBTYCOSPPSYGD-LJQANCHMSA-N	414.530	5.348	30	20	HKED	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCC(C)(C)C#N)cc1	610165656	UHFGCWFLSBMNAJ-UHFFFAOYSA-N	406.555	5.289	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c2cnn(C(C)C)c2n1	610361756	GWTWERLYZMZVOT-SFHVURJKSA-N	423.520	5.350	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(SCc3cccnc3)cc2)c(Cl)c1	611093007	QVKSDOZHMYNMQK-UHFFFAOYSA-N	414.317	5.805	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(CCOCc2ccccc2)CC1	611169389	HHIZTVHUZHJPJH-GOSISDBHSA-N	409.555	5.342	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1SCc1ccco1)c1cccc(Cl)c1Cl	611249480	IBQJAXNGHJTUNO-KRWDZBQOSA-N	417.317	5.873	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1	614999964	PGPHBRVYILJRDA-UHFFFAOYSA-N	417.534	5.018	30	20	HKED	
CN(Cc1ccccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CCCCC1	618743478	TUDMGDUECQOJII-DEOSSOPVSA-N	402.542	5.132	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCc2sccc2[C@@H]1c1cccs1	618842206	JMHHHYNBGYLAPK-WIYYLYMNSA-N	405.548	5.026	30	20	HKED	
Fc1ccc(Br)cc1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	620748137	APKKIXUSYGXZBW-UWVGGRQHSA-N	408.155	5.151	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl	645955589	SAYFVFBLWLVZLU-LLVKDONJSA-N	410.804	5.467	30	20	HKED	
C=C(C)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	670221389	LHQJXUXVHDNRRJ-GJZGRUSLSA-N	418.385	5.007	30	20	HKED	
Fc1cccc(Br)c1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678514388	ANIJIHUVGAMVQR-RKDXNWHRSA-N	408.155	5.151	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc1Cl	727267499	WBPWRKWFIDDULF-ONNFQVAWSA-N	408.885	5.113	30	20	HKED	
C#CC[C@@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccccn1	727772989	MGWNRWDDICOCMD-QGZVFWFLSA-N	403.290	5.433	30	20	HKED	
CCc1ccc([C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	727953304	DQKZTVRIBINRFZ-ACJLOTCBSA-N	402.466	5.015	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)Nc2ccc(OC(C)C)cc2)c1	728227013	AGTUZTNNZOYIOP-UHFFFAOYSA-N	400.547	5.859	30	20	HKED	
CCn1c(/C(Cl)=C/c2ccc(OC)c(OCCCC#N)c2)nc2c(F)cccc21	728438146	BCGWVYAMTVDZGT-SSZFMOIBSA-N	413.880	5.623	30	20	HKED	
Cc1ccccc1N(C(=O)Cc1ccc(OCC#N)cc1)c1nc2ccccc2s1	731956610	FSVJKIXFBJRCJB-UHFFFAOYSA-N	413.502	5.415	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)ccc1OC	733620231	RLFHNRQSNLNUPM-LJQANCHMSA-N	423.513	5.019	30	20	HKED	
C=CC[C@@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccncc1	734457441	JIZKJBJOPWFBHZ-HSZRJFAPSA-N	406.913	5.290	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc(-c2ccccc2F)s1)C(C)C)c1ccncc1	734684089	SCIUXWJAEZKBQK-JOCHJYFZSA-N	423.557	6.187	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)NC(c2cccs2)c2cccs2)cc1OC	737610313	CYSVUJDHFFGHPF-LUAWRHEFSA-N	411.548	5.302	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	739160717	MRPHUODGTKOGIU-CXAGYDPISA-N	415.440	5.279	30	20	HKED	
CC1CCC(N(C(=O)c2ccccc2OCC#N)c2cccc(N3CCCC3)c2)CC1	741938233	WGYRMIPKTLCOPY-UHFFFAOYSA-N	417.553	5.415	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc2ccccc2s1	743443357	OFLCVSPNSZAIES-LBPRGKRZSA-N	405.306	5.639	30	20	HKED	
CCC(CC)n1c(COc2ccccc2Cl)nn(CN(C)C[C@@H](C)C#N)c1=S	746705864	CONBDBYSDSLBDZ-HNNXBMFYSA-N	421.998	5.057	30	20	HKED	
Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1	747196949	QYYZKNIUHFKJSO-CQSZACIVSA-N	416.344	5.169	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1cccc(-c2ccccn2)c1)C(=O)c1ccccc1	747694748	DNGVSLYVLIDUTR-HAVVHWLPSA-N	405.457	5.049	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(CC)o2)cc1C#N	752306203	UPEMATGNFKAVLW-FQEVSTJZSA-N	424.501	5.431	30	20	HKED	
Cc1ccnc(-n2c(S[C@H](C#N)c3ccc(Cl)cc3)nc3ccccc3c2=O)c1	752934178	OTFCVVBWAPDSHI-LJQANCHMSA-N	418.909	5.100	30	20	HKED	
C[C@@H](C#N)CN(C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)C1CC1	754176043	XFZPICHBMVTKIV-HNNXBMFYSA-N	412.518	5.276	30	20	HKED	
C[C@@H](ON=C1CCOc2ccccc21)c1nnc(-c2ccc(Cl)cc2Cl)o1	757611414	CSSXCNZTWJGBDH-LLVKDONJSA-N	404.253	5.308	30	20	HKED	
CC(Cn1nc(C)cc1C)=NO[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	757614874	NJBPHLGJSGASIH-CYBMUJFWSA-N	408.289	5.010	30	20	HKED	
C[C@@H](OC(=O)/C=C/c1ccccc1C#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761061374	XOZZMCZVPXKUJU-YPUOHESYSA-N	414.248	5.233	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccncc1	761704877	QDUAYJTXSLIFNT-FQEVSTJZSA-N	403.869	5.446	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)CCO2)c1	761844634	IPVDRBKIEGZNTG-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cc(F)ccc1F)c1nc(-c2c(F)cccc2F)cs1	762050985	GYKNHBIKAWFYAK-AWEZNQCLSA-N	418.415	5.566	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Br)nc2)cc1	766694626	VZHWYIYVDMQCSK-UHFFFAOYSA-N	424.323	5.260	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)ccc1OC	772980997	XHMVIASPKVGVEH-FDDCHVKYSA-N	401.510	5.289	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1	777323847	MWNHHLRETWWXLM-IAGOWNOFSA-N	413.543	5.099	30	20	HKED	
COC1CCN(c2ccc(N[C@H](C)c3cccc(C#N)c3)cc2C(F)(F)F)CC1	777679003	AIYGQFZUMNAXGX-OAHLLOKOSA-N	403.448	5.365	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1cccc(C(F)F)c1	780380951	XDLXKPAUMFLMMR-UHFFFAOYSA-N	414.433	5.397	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(OCc2ccc(F)cc2)c1	780479596	ZKYXOLWHQMOMNH-MRXNPFEDSA-N	405.429	5.340	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1	782777004	FEVNSSFAEXNOPR-RBUKOAKNSA-N	411.505	5.594	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(C(F)(F)F)c(F)c1C	785877648	YZKYAACFHIXICT-AWEZNQCLSA-N	402.347	5.148	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1cccc(F)c1[N+](=O)[O-]	790307015	RFGYIBOFHFYBLT-UHFFFAOYSA-N	415.856	5.202	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1ccco1)c1cccc(Cl)c1)c1nccc2ccccc12	792097581	XKBQCKSJXKFCQZ-JOCHJYFZSA-N	415.880	5.364	30	20	HKED	
COc1cccc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1	796813081	VYTQEJRWSNNENB-OAHLLOKOSA-N	416.424	5.232	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCc2ccccc2Br)s1	797566623	PAZGYUVCDHEFMW-CQSZACIVSA-N	405.361	5.402	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCC(C)(C)CCC#N	798876195	TZDRAWYHVYJRLT-UHFFFAOYSA-N	422.909	5.588	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1cccc(Br)c1	800566103	QPJQAPCEUQTWPM-IBGZPJMESA-N	417.347	5.156	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1	800784001	RJXKEEDRHQFEHN-UHFFFAOYSA-N	418.932	5.045	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	802054134	GNSKWWNEYSZTED-KXBFYZLASA-N	403.507	5.024	30	20	HKED	
C[C@@H](OC(=O)CCCCCC#N)c1cnc(-c2ccc(Br)cc2)s1	805899865	DELGUFYSDBNJEU-CYBMUJFWSA-N	407.333	5.651	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1	813215753	BNCNORANRDIFPT-IAQYHMDHSA-N	411.221	5.233	30	20	HKED	
Cc1nc(CCC(=O)N(O)Cc2cc(Cl)cc(Cl)c2)oc1-c1ccccc1	901378106	HSBIPOQKVDLGRZ-UHFFFAOYSA-N	405.281	5.307	30	20	HKED	
N#Cc1cc(Br)ccc1Cc1nc(-c2ccc(C(F)(F)F)s2)no1	904967434	FCVLQIWBKQXNHI-UHFFFAOYSA-N	414.206	5.042	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(O)c1	916155645	PIERLVXISURSPH-YFHOEESVSA-N	412.272	5.847	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2)cs1	916976435	OGKNINNVLPEHHX-HZRUHFOJSA-N	405.331	6.068	30	20	HKED	
N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1nc(-c2ccccc2)cs1	917025956	SXBKDHAFGWZGQY-HNNXBMFYSA-N	421.572	5.778	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SC(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1	920804459	QVBMZVGSXCVDQK-GFCCVEGCSA-N	422.428	5.893	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5scnc5c4)cc3)CCC2)C1	1789337912	JDJJCUYVSSBCJN-UHFFFAOYSA-N	417.534	5.010	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)c3cccs3)CC2)C1	1804866370	YBMYEVOFLTVFTF-LJQANCHMSA-N	416.631	5.075	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CC=C)C(=C)C)n[nH]1	1819301669	OCBNALJGFFBGAT-UYAOXDASSA-N	412.578	5.163	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@@H]2C)CC1	1828482809	NKHFYGFENFMJKG-BVSLBCMMSA-N	402.623	5.035	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1	16656365	NTZFSBSAISSCQY-UHFFFAOYSA-N	404.322	5.413	30	20	HKED	
C=CCn1c(SCc2ccc(F)cc2Cl)nnc1[C@@H]1COc2ccccc2O1	20976725	MXOYMQWVUMVIDQ-SFHVURJKSA-N	417.893	5.061	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccco1	31159595	OLXVGQUTRAGFAA-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sccc1Br	49723974	SHNJJXLLKBCFIK-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OCCCC#N)c1	55569115	CORLFOZVRIGNGL-UHFFFAOYSA-N	413.836	5.377	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1nc2ccccc2[nH]1	56562964	ADXRHYLOYWRWFY-INIZCTEOSA-N	411.465	5.418	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2ccc(Cl)s2)cc1	56756641	LUYTYUJYNZPDQA-UHFFFAOYSA-N	417.962	5.270	30	20	HKED	
C=CCN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccccc1	58091858	SIWXUFOMIPJFLV-UHFFFAOYSA-N	404.535	5.542	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	63667659	MFDXRIMZHQUJTE-UHFFFAOYSA-N	412.493	5.253	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2[nH]1	66003507	TZZUTOKQYMFBED-IBGZPJMESA-N	401.853	5.285	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2ccc(Cl)cc2)cc1	108375476	MPEKPPAPXONDJI-UHFFFAOYSA-N	420.896	5.393	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1	209131590	PRTAVLAKVNMMOB-OQLLNIDSSA-N	401.278	5.052	30	20	HKED	
C[C@@H](Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(OCC#N)cc1	327621017	NAFXZUVVFBXTDZ-LLVKDONJSA-N	415.209	5.423	30	20	HKED	
CSc1ccccc1[C@@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	410269539	CWJMIUDXBCAZBV-GOSISDBHSA-N	418.566	5.294	30	20	HKED	
C[C@H](C1CC1)n1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1	429626133	KYLDQHAUXGSURF-QGZVFWFLSA-N	417.488	5.099	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1Cl	429864603	ZCZHPVDAMUEGKQ-UHFFFAOYSA-N	415.946	5.126	30	20	HKED	
O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1F	429959179	CRTAZUQDDDXUTJ-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1nc2ccccc2s1	430525744	PJMMYOXWPGXOON-GFCCVEGCSA-N	413.289	5.279	30	20	HKED	
C[C@H](c1ccc(C#N)cc1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	430732069	YPTBTMIBAYOACB-CWTRNNRKSA-N	414.292	5.094	30	20	HKED	
CCCCOc1ccc(OC)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	437930343	DEEROGMDTUABAQ-RBBKRZOGSA-N	407.514	5.178	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1	438430591	YMHOYPGDLXZWLD-XUTJKUGGSA-N	413.443	5.221	30	20	HKED	
COc1cc(CN[C@H](C)c2cc3ccccc3o2)ccc1OCc1cccc(C#N)c1	442884191	RRPOGWQWEOSXIL-GOSISDBHSA-N	412.489	5.743	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12	444184623	PDFXBQLEYBFQIV-QGZVFWFLSA-N	402.523	5.592	30	20	HKED	
CCc1noc(CC)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	445797393	IXTJGKFUWJBZPV-UHFFFAOYSA-N	411.449	5.005	30	20	HKED	
FC(F)C(F)(F)COCCSCc1coc(-c2ccc(C(F)(F)F)cc2)n1	468640454	ITFVQHJOMZDXHT-UHFFFAOYSA-N	417.346	5.511	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1Cc2cc(Br)ccc2O1	471157512	SBPHZBXGAUIPRY-IBGZPJMESA-N	400.316	5.243	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccccc2C#N)o1	472672855	RXRRGBMOLJSGSB-UHFFFAOYSA-N	402.494	6.058	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](COC)Cc1ccccc1	472753452	OPLRZEWRNGCVLO-QUCCMNQESA-N	411.571	5.050	30	20	HKED	
COc1cc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccccc1	474285919	BVMLHYMCIKYQOB-UHFFFAOYSA-N	414.505	5.005	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1ccccc1S[C@H](C)CC#N	475626383	WGONCSVZJNQJJY-MRXNPFEDSA-N	411.571	6.348	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1	476556488	UQNHUEBPDJSSRP-UHFFFAOYSA-N	423.875	5.182	30	20	HKED	
COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H](C)c1ccccc1	477709416	GZXNPCOLFHMAAK-LJQANCHMSA-N	415.493	5.592	30	20	HKED	
N#Cc1ccc(CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1F	479463963	HIIJNRSMUMCCGW-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
Cc1ccc(-c2nnc(S[C@@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)cc1	481363592	KVTSNSWZSOAAIQ-KRWDZBQOSA-N	400.507	5.620	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1coc(-c2ccccc2)n1	481391226	HKCIAOHKAGLMHT-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H]1CCc2ccccc21	481709252	DEVMAKVCIDUBDY-HSZRJFAPSA-N	415.468	5.428	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)c2)cc1	481921376	OPTKFOXPRPENRD-VWLOTQADSA-N	405.457	5.265	30	20	HKED	
Cc1ccc(CN(C)C)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	482617536	WWWBMAROZHTFMM-UHFFFAOYSA-N	415.562	5.473	30	20	HKED	
CC(=O)c1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c(C)nc1C	485765554	XBCKDEZJZLURBJ-UHFFFAOYSA-N	415.468	5.067	30	20	HKED	
CC(C)c1c(NC(=O)c2c(F)cc(C#N)cc2F)cnn1-c1ccccc1Cl	486822223	JGWCPXOVABFDPX-UHFFFAOYSA-N	400.816	5.051	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)s1	487570047	FPVQHQDWDOQWRK-UHFFFAOYSA-N	410.364	5.545	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)c2cccnc12	489692805	VMOPIJIQFPONQC-UHFFFAOYSA-N	422.941	5.537	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2F)s1	496345178	LSWINHYSHREITD-PZJWPPBQSA-N	420.513	5.177	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C	496671197	PPQAYZMFIPUDIU-UHFFFAOYSA-N	414.509	5.143	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2ccc(C#N)cn2)cs1	498162262	KROPQODVKNFVLF-UHFFFAOYSA-N	400.916	5.040	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1	501768486	WCVPRFOBXMSKLR-UHFFFAOYSA-N	423.497	5.791	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2c(C)cc(Br)cc2C)cc1	502287325	GXGAMKGDOARFCV-UHFFFAOYSA-N	417.307	5.017	30	20	HKED	
N#C[C@H](C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc(-c2c(F)cccc2F)cs1	505700432	JQROTSDNZSRTTN-DLBZAZTESA-N	424.472	5.472	30	20	HKED	
C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC[C@H](c2nccs2)C1	508895439	OZAZJLSNKOHXRJ-SFHVURJKSA-N	401.539	5.125	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1	510076245	CULAIUAJMAIHNT-UHFFFAOYSA-N	407.857	5.462	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(F)cc3)no2)nnc1-c1ccccc1F	510314178	RGXHITBBFPEZJC-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
COCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510915807	KOPXAZHHSDMKMP-UHFFFAOYSA-N	415.493	5.340	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1COc1ccccc1	512830271	YPNSSQZYNQZIHH-UHFFFAOYSA-N	412.445	5.534	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1OCCC(C)C	513149253	UWYQACDZZYGFQI-INIZCTEOSA-N	406.404	5.024	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(COc3ccccc3C#N)c1)CCC2	513301464	MEYLDPPDKWOQLR-NRFANRHFSA-N	417.534	5.052	30	20	HKED	
CC(C)n1c(Sc2ncc(C#N)cc2Cl)nnc1-c1ccc(Cl)cc1Cl	513639640	DTCSQRIVRHWBCQ-UHFFFAOYSA-N	424.744	5.904	30	20	HKED	
Cc1ccc(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(C)c1	514558271	BDNSPRKMRBEBNG-UHFFFAOYSA-N	403.507	5.402	30	20	HKED	
C=CCn1c(Sc2nc(C)nc3sc(C)c(C)c23)nnc1-c1ccccc1OC	515164754	XLQINTGPTWCUCS-UHFFFAOYSA-N	423.567	5.221	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(C)(C)C)cs1	518362321	UMKOOPMSIIYOKI-INIZCTEOSA-N	419.550	5.790	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1cscn1	518668637	IXUDULTZQMZCTK-OAHLLOKOSA-N	409.536	5.226	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1cc(COc2cccc(F)c2)ccc1OC	520094354	JNZQFYDGEUSXOF-UHFFFAOYSA-N	407.441	5.230	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nc2cc(Cl)ccc2s1	520199029	PURFIRQJIFWHFV-GFCCVEGCSA-N	416.959	5.666	30	20	HKED	
Cc1ccc(-c2nc(CCNC(=O)c3ccccc3-c3ccccc3C#N)co2)cc1	522955949	VKMHIONGUVNDNG-UHFFFAOYSA-N	407.473	5.161	30	20	HKED	
CN1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc2C1	524200257	FGVYJELORVXUNX-UHFFFAOYSA-N	417.896	5.096	30	20	HKED	
C[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)c(F)c1	525140106	JMVAHVQDYRMUJU-INIZCTEOSA-N	406.432	5.352	30	20	HKED	
CC[C@@H](C)n1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nnc1-c1ccccc1	525629449	DYVJBTGUQSVVPS-OAHLLOKOSA-N	416.510	5.130	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1-c1cccc(OC)c1	534529462	FZLUDIYZKYBOKZ-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3coc(-c4ccccc4Cl)n3)n2)cc1	538449750	KQACYPVOELLZFO-UHFFFAOYSA-N	406.854	5.242	30	20	HKED	
CSc1cccc([C@H](NCCCC2(C#N)CCOCC2)c2ccc(F)c(F)c2)c1	538610275	VOBHEPLSHIEGNC-QFIPXVFZSA-N	416.537	5.466	30	20	HKED	
CC(C)CO[C@@H](C)c1noc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	541085808	UFSYKCCBWFURPM-MSOLQXFVSA-N	404.514	5.193	30	20	HKED	
Cc1sc2nc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(O)c2c1C	542015386	KLQHXERTFUIKHA-OAHLLOKOSA-N	414.534	5.403	30	20	HKED	
C[C@@H](NCc1ccc(OCc2nccn2C)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542942151	NSMDFUCCYWOLFU-HXUWFJFHSA-N	422.532	5.389	30	20	HKED	
C[C@H](NCC(=O)Nc1sccc1C#N)c1ccc(-c2ccc(Cl)cc2)s1	543556138	HXPWGEHGKPMVID-LBPRGKRZSA-N	401.944	5.291	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccsc1Br	548955379	FBWNGMXCJIFOIF-NSHDSACASA-N	410.362	5.227	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1	548996455	KVWBDGHULUBOMF-CYBMUJFWSA-N	404.388	5.038	30	20	HKED	
O=C(O)C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	551420509	DRODYLYVZMTATP-OAHLLOKOSA-N	409.301	5.169	30	20	HKED	
Cc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c2c1NCCC2	553540483	DGDZNLMWUTZLBM-UHFFFAOYSA-N	422.960	5.123	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1c(F)cc(C(F)(F)F)cc1F	557529709	DJIAQIXWSBDTEJ-UHFFFAOYSA-N	401.665	5.491	30	20	HKED	
N#CC1(CCC[S@](=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1	559228088	UGAJUKGWABLPGB-IDISGSTGSA-N	401.959	5.279	30	20	HKED	
CCSc1cccc(F)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	572892550	HNHKZMQEVSJUKM-UHFFFAOYSA-N	417.481	5.024	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)s1	573412665	NDSFBGAFRDHRES-UHFFFAOYSA-N	407.495	5.249	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc3cccc(C)c3s2)c1C#N	576258130	UBHMAZWWZSPTRM-UHFFFAOYSA-N	404.520	5.241	30	20	HKED	
Cc1c([C@H](C)NCc2ccc(C#N)cc2C(F)(F)F)cnn1-c1ccc(F)cc1	576676382	LACWKJKXWXUWPZ-ZDUSSCGKSA-N	402.395	5.061	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCc2nccs2)cc1Cl	576745735	YAZZSLBSVSULDM-SFHVURJKSA-N	410.930	5.206	30	20	HKED	
CC(C)(C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc(F)cc(C#N)c1	588924671	IMBUTVPUCDTABB-UHFFFAOYSA-N	400.322	5.268	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2ccccc2F)C1	589528874	LOHAYPFZBXHPDE-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cn1)c1ccccc1	592973695	IVYHKYFVZFRZBS-KBXCAEBGSA-N	417.465	5.460	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1Cl	603673386	NPMPNYWVTFPFQC-QGZVFWFLSA-N	415.802	5.662	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccccc2F)cc1Cl	603759041	RXZHXYDQJINUCS-LJQANCHMSA-N	408.860	5.542	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3Cl)c2C#N)C1	603946667	SSZLVUYDHJUEEW-VIFPVBQESA-N	409.736	5.413	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(-c3ccccc3)n2)sc2c1CCCCCC2	603996115	LAUCCOCBFBLUHE-UHFFFAOYSA-N	407.564	5.583	30	20	HKED	
CCc1cc(C#N)c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)s1	604028815	RUMVTWFPXUNEPS-UHFFFAOYSA-N	417.943	5.052	30	20	HKED	
CCN(C/C=C/CN(CC)[C@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1	604271989	IAFZYZMMJXCWFG-BWQMBOKRSA-N	400.570	5.452	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1Oc1ccncc1	604691244	SVQOJIPBSSKAJD-QGZVFWFLSA-N	403.438	5.421	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1	606570939	KIQTVRRXUYVZSV-NFBKMPQASA-N	407.558	5.158	30	20	HKED	
COc1cccc([C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	609062241	IAZNTPLVUUYHFZ-INIZCTEOSA-N	420.896	5.541	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc(F)cc(F)c1	609078437	QYFXYRVXHOMDGP-UHFFFAOYSA-N	407.420	5.046	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)c1	609184838	CCJHGFPMEMVNPA-UHFFFAOYSA-N	414.889	5.249	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	609251627	OFLKPYHCAFMOSU-UHFFFAOYSA-N	405.273	5.057	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2)c1	609427420	QONCYYRSTVUZPN-WWVRUBFXSA-N	402.494	5.010	30	20	HKED	
CCOc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1OCC	609627731	IGUXKNHOSXAEGW-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2F)c1	609644001	PKMBYPVDOLYMMY-UHFFFAOYSA-N	404.416	5.086	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1	609647830	REKFZQVFFISYQM-UHFFFAOYSA-N	402.425	5.169	30	20	HKED	
CC(C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccs1	609711764	QGLPCIJYRNCJDT-UHFFFAOYSA-N	412.902	5.517	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1	609735404	JTOXRWBXOODWFK-SZNDQCEHSA-N	413.861	5.243	30	20	HKED	
N#CC1(NC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CCCC1	609793267	CFADYMNLMQJGAP-UHFFFAOYSA-N	417.296	5.204	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ncoc3-c3ccccc3Cl)cn2)c1	610223728	HGSJYAUVXBJXLF-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[C@@H]1c1ccccc1	610321085	FZJHEDJBONWDQL-MBSDFSHPSA-N	412.493	5.403	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)C1	612370048	PHBJYWFUPLYDKS-KKFJTVDOSA-N	413.546	5.549	30	20	HKED	
O=[N+]([O-])c1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OC(F)F)c1	612778483	DFRWHYJNXMGDNE-HTQZYQBOSA-N	422.272	5.518	30	20	HKED	
C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)nc2ccccc21	613857798	STSNSVXHEPUFNS-NRFANRHFSA-N	421.566	5.077	30	20	HKED	
COc1ccc(C(C)(C)C)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	617441552	YYVPXNLMPFXTGB-UHFFFAOYSA-N	402.498	5.022	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2CC)nnc1-c1cccc(C)c1	617940178	FAKIUMOINGXBHF-QGZVFWFLSA-N	406.555	5.121	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC2CCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1	620304580	PJBBFHWZYUEQPS-KRWDZBQOSA-N	424.472	5.900	30	20	HKED	
C=CCn1c(Sc2ncnc3scc(-c4ccc(OC)cc4)c23)nnc1C1CC1	669624434	RNRCHOAGSKNTAI-UHFFFAOYSA-N	421.551	5.173	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCc1cccc(Br)c1	672239253	CCTXJXCBXUYDMH-UHFFFAOYSA-N	418.379	5.154	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	673765634	DZUSBDBRGBNJLJ-PHIMTYICSA-N	422.291	5.608	30	20	HKED	
Cc1cc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nn1C	679951453	KVPCWKDYKIZXAO-ZDUSSCGKSA-N	419.291	5.159	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	683960425	AGZASIPBZNMHGB-OAHLLOKOSA-N	408.317	5.131	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cn1	727339670	PNDBGPCVDLHYSN-UHFFFAOYSA-N	414.465	5.220	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cccc(O[C@H](C)C(=O)O)c2)CC3)cc1	727654270	KHDPAMHRCJBRNB-PWDRBQJJSA-N	419.502	5.183	30	20	HKED	
CC(C)n1ncc2cc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)cnc21	728202183	USUORPHMEDNJRJ-UHFFFAOYSA-N	415.472	5.214	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1csc(C(=O)O)c1	730150870	YKGYUBDKXJBKIQ-SNAWJCMRSA-N	420.309	5.228	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1	731332324	IVECCDVBZWBCMQ-UEOUDEGLSA-N	402.519	5.895	30	20	HKED	
CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1ccccn1	733109700	OJCVQQWUKJTQAY-INYRMVIESA-N	401.897	5.258	30	20	HKED	
C[C@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	734698882	QQIUZQDJPYPWRU-DVECYGJZSA-N	417.553	5.146	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	735575570	SMWXZDSZTHIODZ-UHFFFAOYSA-N	415.465	5.059	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	739162538	YROXFJJSMJXQDL-GUYCJALGSA-N	415.440	5.279	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@H](c4ccccc4F)C3)c2)s1	740063937	GURASWSDUKLHMK-SFHVURJKSA-N	405.498	5.125	30	20	HKED	
CCCCCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1	742840742	NMTIBYTVWCLZIT-JOCHJYFZSA-N	421.990	5.310	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743097400	VJJWNDCVITZPNH-QHCPKHFHSA-N	411.505	5.248	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cc1	743192410	MXDSCYCQISRBFL-UHFFFAOYSA-N	415.387	5.256	30	20	HKED	
CC(C)CO[C@H](C)c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1	745993864	WLPLVMRDVXSLCL-MRXNPFEDSA-N	424.476	5.005	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc2[nH]ccc12	755524346	IXSCGUXVBHDKRU-UHFFFAOYSA-N	418.909	5.450	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN(Cc1ccccc1)C[C@H](O)c1ccsc1	756903886	QKQDLPFJFKXEAP-NRFANRHFSA-N	412.942	5.040	30	20	HKED	
Cc1nc([C@H](C)ON=CC(=O)Nc2cccc(F)c2)oc1-c1ccc(Cl)cc1	763171700	MLOQYSXQUOEIFK-ZDUSSCGKSA-N	401.825	5.145	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)s1	764117577	PICOOXLWIVRYKB-CQSZACIVSA-N	416.568	5.235	30	20	HKED	
CC1CCN(c2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)CC1	767833215	FWOMFJKNLDAGCY-UHFFFAOYSA-N	400.526	5.116	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1ncc(-c2ccccc2)s1)C(=O)c1ccccc1	770570981	MDLBWRMSBBOOOI-ZHZULCJRSA-N	411.486	5.110	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(Cl)cc(C)cc32)ccc1OC	772987088	RLQJUVXHYJDNCB-XLIONFOSSA-N	414.933	5.342	30	20	HKED	
COc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12	779195299	WAFSHROGEACEEY-INIZCTEOSA-N	421.909	5.372	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1	780162834	JLVJKPGSUPNHTC-CQSZACIVSA-N	401.397	5.177	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1	780169084	LDYLPMVEYHFCFH-QRQCRPRQSA-N	424.859	5.529	30	20	HKED	
N#CC1(COC(=O)c2oc3ccccc3c2CSc2ncccn2)CCCCC1	780484572	XFELQZBTHWUAIK-UHFFFAOYSA-N	407.495	5.146	30	20	HKED	
CCN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1	780671290	UAUSOXIKYXMJBT-HUUCEWRRSA-N	405.420	5.611	30	20	HKED	
COc1cc(-c2ccccc2)ccc1/C=C/C(=O)c1ccc(OC)c(NC(C)=O)c1	781109739	AIPLAJZOCGXJEB-ACCUITESSA-N	401.462	5.225	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1	787044818	GOXBSOPWHBSKCF-SJLPKXTDSA-N	423.925	5.053	30	20	HKED	
Cc1cc(COc2ccc(/C=C\C(=O)c3cnn(C(C)(C)C)c3C)cc2)oc1C(=O)O	787185967	DOFODYMAKFWLRA-FLIBITNWSA-N	422.481	5.021	30	20	HKED	
COc1cc(C(=O)/C=C/c2cnc(-c3ccc(Cl)cc3)s2)cc(OC)c1OC	789128167	RDIZJJVFVSXEFQ-CMDGGOBGSA-N	415.898	5.385	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)OCc1ccc(Cl)cc1C#N	790746656	RCGMNXIBDWYSDX-UHFFFAOYSA-N	414.889	5.235	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cnn(C3CCCC3)c2)ccc1OCC(F)(F)F	799896319	OGPQTDZOCBECSL-CLFYSBASSA-N	408.420	5.234	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1	802045595	PVMLDEKUNRBYGV-SNVBAGLBSA-N	400.834	5.449	30	20	HKED	
C#C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1F	806263659	STUOIEMXNCRPOI-SUMWQHHRSA-N	401.894	5.227	30	20	HKED	
N#CCOc1ccccc1C(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809327142	UKXXNPQXECWZLO-OAHLLOKOSA-N	403.278	5.068	30	20	HKED	
C#C[C@@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccc(Cl)cc1	811516657	RCVYAUUXJQLBMY-HSZRJFAPSA-N	404.897	5.065	30	20	HKED	
C#C[C@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccc(Cl)cc1	811516721	UQXAELKZLBRMLD-NRFANRHFSA-N	409.942	5.254	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(SC(F)F)cc1	914744553	WSVFRVDRJSPNSZ-NXEZZACHSA-N	421.353	5.641	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNc1ccc(C(F)(F)F)cn1	915917976	XFJPZHPQTAGLGS-UHFFFAOYSA-N	414.218	5.347	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2[nH]1	916844713	YCDDZUBKZSDAMC-PXUDHTSWSA-N	403.894	5.834	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)cc(Cl)c1	916927444	JVOYCSSLJYSPQE-GFCCVEGCSA-N	402.064	5.261	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(-c3nccs3)c2C)cc1	916953474	CLWKXAXHGNFIDI-VBKZILBWSA-N	420.538	5.025	30	20	HKED	
N#C[C@H](C(=O)CCOCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	918492280	QBVMABDHRLBCJT-OAHLLOKOSA-N	404.413	5.098	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1OC2	920101776	IHBUENUHAWWNLF-KRWDZBQOSA-N	412.470	5.303	30	20	HKED	
CC(C)Oc1cccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1	1642114209	YUVZLOBTMMQXOL-UHFFFAOYSA-N	412.493	5.134	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc(C)c(C)s3)cc2)CCC1	1789985712	DFOFYVWNVCVACD-FQEVSTJZSA-N	423.582	5.276	30	20	HKED	
CC1(C)CCC(CC(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)CC1	1792233526	NBMLBYGORBRASZ-UHFFFAOYSA-N	421.585	5.421	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](CC)c3ccccc3)C2)CC1	1809005604	BNMHEMCYXNXDQP-DEOSSOPVSA-N	422.613	5.180	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)c(C)c2)c1	11160917	VXNZRPIOZMFWPD-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc(-c3ccccc3)nc21	26122831	CKLAYNUXOZLNPU-KRWDZBQOSA-N	409.493	5.042	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1Cl	46861740	KQTHTBQBNRFTHC-IBGZPJMESA-N	412.823	5.849	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1sc(-c2ccc(OCC)cc2)nc1C	62906001	CRBQOLLUHHWMHC-UHFFFAOYSA-N	417.534	5.217	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)c(C)c1	195735394	NGFDGGHHQDBWMW-OAHLLOKOSA-N	422.460	5.662	30	20	HKED	
CC(C)c1nc(C#N)c(NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)o1	263630329	DCTDXTOPWKOSRX-UHFFFAOYSA-N	402.483	5.030	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C(F)(F)F	303344733	MIBWYKHIRQNUIT-ZDUSSCGKSA-N	414.474	5.209	30	20	HKED	
CC[C@]1(CO)CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	429356268	UXISDSNGEWODQV-QFIPXVFZSA-N	413.905	5.020	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)c1	431134580	DEARXUPFYIKUTB-BJKOFHAPSA-N	408.457	5.169	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1)c1ccccc1	431924685	IEMGLCAPURCFLM-HSZRJFAPSA-N	418.472	5.247	30	20	HKED	
Cn1c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc2cc(C(F)(F)F)ccc21	436334675	URUVYGPQILMVIS-QUCCMNQESA-N	411.427	5.109	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O	436632971	XZYFYZCNNJGIGW-UHFFFAOYSA-N	411.885	5.016	30	20	HKED	
COc1ccc([C@H](C)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	437045933	PSNSVVDOPPCMMI-ZBEGNZNMSA-N	409.345	6.197	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	438405558	WCACRPFFXOXNNA-CABCVRRESA-N	412.889	5.257	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Sc1ccccn1	442403087	FXOQOWQYAOEHJD-QGZVFWFLSA-N	405.498	5.115	30	20	HKED	
CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	444115965	DVZKHCAXSNLWFH-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1	461482197	ATMFMBALBLYERX-HNNXBMFYSA-N	405.552	5.185	30	20	HKED	
C=Cc1ccc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	463489805	KPLZDHSGGCNZSL-UHFFFAOYSA-N	411.505	5.339	30	20	HKED	
N#Cc1cccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	466813350	DCNTUWUKXLTGKW-QFIPXVFZSA-N	414.896	5.231	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1C	467429142	VPFZWMGNCPWOOJ-GOSISDBHSA-N	410.477	6.191	30	20	HKED	
C[C@H](CC(=O)N(CCC(F)(F)F)CC(F)(F)F)c1cccc(C(F)(F)F)c1	468530120	PICUTGMEDOHNGC-SNVBAGLBSA-N	409.292	5.542	30	20	HKED	
CO[C@H]1CCOc2c(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cccc21	468682232	BHTALJCSSPOTON-QHCPKHFHSA-N	414.461	5.267	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1C	471420956	YNXQOGDRCWXLDU-ZDUSSCGKSA-N	413.308	5.410	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1	475113032	XVTBXWAQZXJBAV-UHFFFAOYSA-N	407.857	5.239	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1	475552631	XBISHNMEVQXQOY-UHFFFAOYSA-N	420.479	5.623	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(-c3cc(O)n[nH]3)cc2)cc1	479548237	ZXOXLMYBJULSRZ-UHFFFAOYSA-N	412.474	5.057	30	20	HKED	
CC[C@H](C)n1nc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C	480382764	JDFQUGVYARQLBP-KRWDZBQOSA-N	417.513	5.452	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)o1	480546206	AOOWBTNRPWQKEN-QKLQHJQFSA-N	411.571	6.099	30	20	HKED	
CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1	480580611	ARQFRRPLHSKRAV-JOCHJYFZSA-N	417.465	5.111	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1ccccc1C	481389974	JWMWSPJAQGYFJB-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2o1	481991290	ROYRZORVVJICCT-LSDHHAIUSA-N	411.552	5.512	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nccc2ccccc12	483201886	QIDVNJYUBZYFHX-JOCHJYFZSA-N	400.441	5.335	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(s3)CCOC4)cc2Cl)c1	484339328	XSDDOQWZNDXYCH-UHFFFAOYSA-N	424.909	5.177	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc(C)nc21	486557106	FWHNRJMECLFIKZ-SELVFMLMSA-N	419.573	5.035	30	20	HKED	
COc1ccc([C@@H](NC(=O)CNc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1	487380373	REENXRRNYDFGQN-SBUREZEXSA-N	411.571	5.015	30	20	HKED	
C=CCn1c(SCc2ccc(OC(C)C)c(Cl)c2)nnc1-c1ccccn1	488807429	HXKBHKNMGBNWIR-UHFFFAOYSA-N	400.935	5.259	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccccc1C	488916036	SZQDQJCQOOOJIH-KRWDZBQOSA-N	417.538	5.651	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(CC#N)c1ccccc1	495503623	OQCAGEDKXNYLFB-UHFFFAOYSA-N	409.898	5.133	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1	497988091	GWYFOAWWXOZSPP-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H](C)CC	498035159	CWCRUTVBEDYNPX-IIBYNOLFSA-N	404.938	5.300	30	20	HKED	
COc1cc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc(Cl)c1OCC(C)C	499919595	YIWUFYOWAQHPIE-QGZVFWFLSA-N	407.297	5.031	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1cc2sc(Nc3ccccc3)nc2s1	500071051	CUOZYJZCJCQAFJ-UHFFFAOYSA-N	419.535	5.052	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	501567393	DBLJQFBHFXVNDB-INIZCTEOSA-N	419.506	5.262	30	20	HKED	
CC[C@@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)c1ccccc1	502290152	FPMXMGZNTMXROU-FQEVSTJZSA-N	400.526	5.004	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	504923030	FAVVSBIHPPAWSL-UHFFFAOYSA-N	423.410	5.329	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cccc(C)c2C)cc1	507809497	FTZMTCGVUKMZGI-GOSISDBHSA-N	415.493	5.415	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1	512280366	HPTYSPNLDPDQMF-UHFFFAOYSA-N	423.969	5.240	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1	512516454	GQYKTVZCVAVZAD-NRFANRHFSA-N	416.569	5.536	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	513281752	UDSCWDQUDWKVMZ-ZDUSSCGKSA-N	424.272	5.176	30	20	HKED	
C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCCC(C)C)CC1	515155663	LLJVVIJSWRDZLE-UHFFFAOYSA-N	419.573	5.101	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1	515539211	JWBQWSBYEMQUPG-AWEZNQCLSA-N	409.923	5.872	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)n1C(C)C	515578300	RULFPIPAJFZURS-UHFFFAOYSA-N	401.510	5.583	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCC3)cc1	517596288	RIMZJGHMEVRKQZ-LJQANCHMSA-N	422.485	5.029	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1	518037292	NUBPPCSIQZJBBD-LBPRGKRZSA-N	419.884	5.426	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](c2ccccc2)c2ccccc2OC)ccc1OC	518286531	FIWDXKBQLTYJLI-SANMLTNESA-N	403.522	5.538	30	20	HKED	
C[C@@H]1CCc2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2C1	518515486	QJZWLNNHGGDOFX-DYVFJYSZSA-N	403.532	5.358	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1c(C)noc1Cl	520360526	UDLDDKBBPQBCPG-UHFFFAOYSA-N	411.864	5.122	30	20	HKED	
CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1	520725645	RWHUBIVSEQJNIN-UHFFFAOYSA-N	417.440	5.336	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1O	520818900	IJPZBLYKNPXGPG-UHFFFAOYSA-N	423.856	5.040	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	520833941	OORVNYPMEMMECI-OAHLLOKOSA-N	421.488	5.767	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(F)cc1F)C1CC1	521259302	LOJNOJICFIPDJG-AWEZNQCLSA-N	401.482	5.413	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccc(C(F)(F)F)c1	521352630	BTMBDPSKJSNNQC-MRXNPFEDSA-N	414.408	5.321	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	521374287	XUPOQIVGDFRZGI-MRXNPFEDSA-N	403.507	5.512	30	20	HKED	
COCc1nc(N[C@@H](C)c2ccc(C#N)cc2)c2c(-c3ccccc3)csc2n1	522133770	JQGAWMGNTWKESP-HNNXBMFYSA-N	400.507	5.549	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc2cc(Cl)ccc2s1	522198957	CUZOFRZNFBTZHM-MRXNPFEDSA-N	405.866	5.627	30	20	HKED	
CC(C)(C)c1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1	522572608	GAKOQQLXYWNDLA-UHFFFAOYSA-N	407.514	5.294	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1	523780710	FJTGPAUOHUARBL-HXUWFJFHSA-N	411.505	5.918	30	20	HKED	
C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524440831	CNRRTXXXYNOCLB-MRXNPFEDSA-N	420.900	5.411	30	20	HKED	
COc1cnccc1[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	525841975	AGKBFBVRGHATQS-YWZLYKJASA-N	420.900	5.282	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c1	530853514	SMBWYHASRZWPQK-UHFFFAOYSA-N	420.494	5.327	30	20	HKED	
C=CCC[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1	533398712	IVVYELLUWPXRFU-HXUWFJFHSA-N	417.475	5.141	30	20	HKED	
C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(CC#N)cc1	535472235	IAZUJZGVAYGNGA-HOTGVXAUSA-N	409.917	5.061	30	20	HKED	
CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(C#N)c(Cl)c1	536971845	IUTHSFKIIJTQII-UHFFFAOYSA-N	415.880	5.329	30	20	HKED	
CCCOc1ccccc1[C@@H](CC(C)C)NCc1nnc(-c2ccc(C#N)cc2)o1	537175093	RVAGVRJGKMBWNY-OAQYLSRUSA-N	404.514	5.274	30	20	HKED	
Cc1cc([C@@H](NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)ccc1F	537225132	RLBHEHGVQHMWNU-CMJOXMDJSA-N	411.546	5.065	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCOc2c(Cl)cccc21	537255383	TZWYTPYTCOMPJQ-RHSMWYFYSA-N	415.946	5.627	30	20	HKED	
CCCC(=O)Nc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1C	537725977	JFADCXUJYHMPLI-UHFFFAOYSA-N	401.514	5.123	30	20	HKED	
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	537926464	VSCRUQZFHVNBRA-LJQANCHMSA-N	415.493	5.156	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1	539621760	FZEXSCQKAYNOKW-UHFFFAOYSA-N	424.479	5.495	30	20	HKED	
CCSc1ccc([C@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	540400038	YEPQSERSNVPUNO-IRXDYDNUSA-N	413.612	5.340	30	20	HKED	
Cc1cnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nc1	542124130	VOPVZKYNXHKQFD-CYBMUJFWSA-N	417.275	5.216	30	20	HKED	
N#Cc1ccc(CN(Cc2nc(O)c3cc(-c4ccccc4)sc3n2)C2CC2)cc1	542247054	FWRNFAWDAOVKBZ-UHFFFAOYSA-N	412.518	5.100	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Cc2cccnc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543018560	UPCXEXXGDUPSGE-HXUWFJFHSA-N	424.548	5.346	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)N(CCC#N)c1ccccc1	543861437	QPWAAZLTPNNOKP-NHCUHLMSSA-N	422.532	5.211	30	20	HKED	
COc1ccc(-c2noc([C@@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)cc1	543862085	OMMJVJYOMSPTAK-QZTJIDSGSA-N	424.504	5.696	30	20	HKED	
Cc1nn(CC(F)F)c(C)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	544833660	KLUCIXYAQJQNDE-UHFFFAOYSA-N	415.284	5.055	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	546922059	XUUIHBBRMIPUOZ-RHSMWYFYSA-N	409.839	5.848	30	20	HKED	
CCCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](C)c1cc2ccccc2o1	549944813	NYEHSNSTPLFMFZ-ZDUSSCGKSA-N	401.388	5.332	30	20	HKED	
C=CCC(C)(C)c1noc(CCc2ncc(-c3ccccc3Br)o2)n1	556365690	YWKCTNPOWNODKU-UHFFFAOYSA-N	402.292	5.126	30	20	HKED	
CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	558279630	WWUHINVTZTTYIS-QGZVFWFLSA-N	421.419	5.123	30	20	HKED	
N#CC1(CCC[S@@](=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1	559228089	UGAJUKGWABLPGB-JIPXPUAJSA-N	401.959	5.279	30	20	HKED	
N#CCc1ccccc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1	561800527	YTVRJVNZXVSKPW-UHFFFAOYSA-N	420.856	5.179	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2Br)nc2ccccc12	561840288	XKDSRTUIDSXSFW-UHFFFAOYSA-N	420.188	5.140	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OCc2ccccc2F)cc1	562141829	IAEBEUZZBKSTKB-UHFFFAOYSA-N	424.472	5.100	30	20	HKED	
N#Cc1ccc(N2CCC(NCc3ccc(COCc4ccccc4)cc3)CC2)cc1	565117444	RYCHXCDJUOUUAW-UHFFFAOYSA-N	411.549	5.034	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F	583963025	PPMDZBQGBVMYOA-WVBUVRCRSA-N	424.495	5.185	30	20	HKED	
C=CCc1cc(CNCc2ccc(OC(C)C)cc2C(F)(F)F)cc(OC)c1O	603512405	BFWWEHLBYLNWRE-UHFFFAOYSA-N	409.448	5.225	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1nc2cc(F)ccc2s1	603627391	CRNOLPYXTMMBRO-OAHLLOKOSA-N	420.469	5.096	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(Cc2ccccc2)n1	603969016	VFBFJKIQOJZIFY-UHFFFAOYSA-N	415.543	5.515	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccccc2Cl)cc1	604004122	XVWQEFNBLUHATP-UHFFFAOYSA-N	404.897	5.556	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1nc(-c2ccncc2)cs1	604005447	NVSKAKDBBFGPCK-FQEVSTJZSA-N	415.449	5.627	30	20	HKED	
C=CCN(CC=C)C(=O)CSCc1csc(-c2ccc(C(F)(F)F)cc2)n1	604055772	LUMHWCLNEUBWSW-UHFFFAOYSA-N	412.502	5.263	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	605910075	AQJFXGMAJWUGBA-UHFFFAOYSA-N	423.410	5.527	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1	608963852	VHDXKCVVGLFIAF-QHCPKHFHSA-N	420.871	5.231	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)o1	609018668	KFMKYTRERKKPAA-XLIONFOSSA-N	420.538	5.039	30	20	HKED	
CN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1cccc(C#N)c1	609020825	SFIAIWMACWDYQW-UHFFFAOYSA-N	412.424	5.055	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(CN4CCCCCC4)CC3)c2)cc1	609129568	CQWXMGDMWRUJBJ-UHFFFAOYSA-N	417.553	5.079	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)c1	609526629	KRJPVYXEBCBXLZ-UHFFFAOYSA-N	415.518	5.480	30	20	HKED	
C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(F)c1	609694716	ZMZIEJUJGXAJDD-GOSISDBHSA-N	404.460	5.559	30	20	HKED	
C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	610019180	RJUZIMMJWJJEJT-INIZCTEOSA-N	401.441	5.641	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cl)cn2)cc1Cl	611431014	UAEXIMWWACHQRI-LJQANCHMSA-N	411.292	5.366	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1cc(F)ccc1F	615346402	FYOQTCOMSRPANI-CYBMUJFWSA-N	405.445	5.314	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOc2cccc(F)c2C1	619787687	ZDKYKBGZYHLVJM-UHFFFAOYSA-N	417.440	5.225	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(C#N)c(Cl)c3)cc2)cc1	619787796	VTWKOBGPLDGFNR-UHFFFAOYSA-N	402.841	5.197	30	20	HKED	
C=CCN(C(=O)c1cc(C)nn1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	624826176	USVFINDDUMULSV-UHFFFAOYSA-N	421.353	5.475	30	20	HKED	
C=C(C)CN(CC)C(=O)c1cccnc1SCc1cccc(Br)c1	642365209	KXHPJPJDXYNPPP-UHFFFAOYSA-N	405.361	5.175	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	644495949	XSGTUHFJJUDODK-UHFFFAOYSA-N	422.497	5.648	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1OC	672581861	KNXSCQQJEUTHFX-ZDUSSCGKSA-N	420.412	5.131	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(OCc3ccc(F)cc3)c2)cc1Cl	726454760	CDGVMOUILPUQPD-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCCc2ccc(C(C)(C)C)cc2)cc1	727038363	KGXJMJOBAPVEQG-JOCHJYFZSA-N	406.526	5.053	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1ccc(Cl)cc1Cl	727953273	CNMQUVJXVYNRDI-AWEZNQCLSA-N	420.683	5.018	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1cccc(OCC#N)c1	729557107	WXTCZFBRKOSJHE-CQSZACIVSA-N	410.474	5.043	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1nc2ccccc2o1	730071554	PMFNWZYNECKUEW-OPAMFIHVSA-N	420.440	5.816	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NCCc1ccccc1	730954547	CHRDUCAALSGSRV-UHFFFAOYSA-N	409.502	5.240	30	20	HKED	
COc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC(C)C	731400453	OKOOZVDYKXUGDF-INIZCTEOSA-N	413.543	5.198	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2ccc3ccccc3c2)ccc1OC	733209493	VDEJIUXFTDZPAC-FQEVSTJZSA-N	405.523	5.016	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(OCc3ccccc3F)cc2)c1	733800087	GWPFDZXKAYDWIX-JOCHJYFZSA-N	404.485	5.375	30	20	HKED	
C[C@@H](N[C@H](C)c1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	734158612	JFMNFVPTXJQNIF-ZIAGYGMSSA-N	424.595	5.176	30	20	HKED	
C=CC[C@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccncc1	734458435	ZFVBHYPQZTUSNI-AWEZNQCLSA-N	404.695	5.026	30	20	HKED	
CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)C	734701756	LYZBPQFUAXCMRD-DHIUTWEWSA-N	419.569	5.248	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	734706850	ZVFFVQVWUALUFS-BBRMVZONSA-N	400.425	5.611	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1Cl	734981510	RKMAUFQNPYLEIY-FPLPWBNLSA-N	405.262	5.921	30	20	HKED	
CCc1nc(C)c(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)s1	735227189	MTIQVCIOPNYMGD-UHFFFAOYSA-N	411.531	5.661	30	20	HKED	
C[C@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccc2ccccc2c1	735319962	GXYRUCVUPQCLNO-INIZCTEOSA-N	424.953	5.506	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C=NNc3cccc(C(F)(F)F)n3)c2Cl)cc1	739421180	FUZQLFIVAAPZLD-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
C=CCOCCCC(=O)O[C@H](C)c1sc(-c2ccccc2Br)nc1C	744321133	YNFGIUVORIDKLI-CQSZACIVSA-N	424.360	5.468	30	20	HKED	
CCN(CC)c1ccc2cc(C(=O)/C=C\c3ccc(SC)c(OC)c3)c(=O)oc2c1	746341487	ANQNNARVEOGWIN-XFFZJAGNSA-N	423.534	5.266	30	20	HKED	
COc1ccc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cc1OCCCC#N	747361697	WUPSWWRLAGKBJS-VBKFSLOCSA-N	404.441	5.211	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C[C@@H](O)c1cccs1	752208340	ATWSYRLRBOMELO-IIBYNOLFSA-N	421.522	5.354	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc2ccccc2c1	753395778	LFIGVDUOLDQJGJ-AOMKIAJQSA-N	407.498	5.815	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2cncc(SCc3ccccc3)n2)ccc1OC	754055838	GSGBTFBXQGCIGI-IBGZPJMESA-N	420.538	5.071	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1csc2ccccc12	754731235	LFLBOUFRRPWDQY-CVEARBPZSA-N	409.580	5.585	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1	755608973	CFHYNJSPCKWZFL-CXAGYDPISA-N	409.442	5.146	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccncc1	759216862	PPOSFPXMCQGPNZ-WBMJQRKESA-N	416.333	5.882	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c(Br)c1O	761013695	XGUJBLGUWIAAPZ-FNORWQNLSA-N	410.267	5.121	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)nc1-c1ccccc1	763560801	OXYOGSLHTUDEAA-VXKWHMMOSA-N	401.510	5.207	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1cccs1	765337265	UOXCANKHTHXLBE-CQSZACIVSA-N	409.540	5.404	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1	767869030	JWLNWYWDIGCXBJ-OAQYLSRUSA-N	401.551	5.001	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)nc2ccccc21	769411924	LLDWOKNKGRNSLS-JOCHJYFZSA-N	415.585	5.347	30	20	HKED	
Cc1ccc(-c2noc(-c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)c(O)n1	771118124	WLYQTMBCGGATMX-UHFFFAOYSA-N	404.813	5.130	30	20	HKED	
CC(C)Cc1ncc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)s1	772837179	OMDNWWMQEVTDIO-UHFFFAOYSA-N	412.371	5.078	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2csc(Cc3ccc(F)cc3)n2)cc1	774571637	YGFCQZSGRNPEMX-UHFFFAOYSA-N	424.497	5.135	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccc(F)cc2Cl)nnc1-c1ccccc1C	774631953	NKMDMZHFOZESIL-GOSISDBHSA-N	403.910	5.058	30	20	HKED	
C[C@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	775077285	USOAIAHBVYJTEI-ZADCQDASSA-N	423.683	5.102	30	20	HKED	
Cc1cc2c(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)ncnc2s1	783417906	IDSAKAZZJYUGOL-OAHLLOKOSA-N	422.560	5.092	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)c2ncccc12	791947616	WDXACLRWABZJAY-KRWDZBQOSA-N	415.497	5.160	30	20	HKED	
C[C@H](OC(=O)c1ccc(F)c(C#N)c1)C(=O)N1c2ccccc2Sc2ccccc21	792320165	DQCCJUIZKNJZMU-AWEZNQCLSA-N	418.449	5.072	30	20	HKED	
C[C@H](Oc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	796662496	QEKVBSIZYJQMID-AOMKIAJQSA-N	423.497	5.479	30	20	HKED	
CC(F)(F)c1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1	797015462	XXSNXBDOVMVNTA-UHFFFAOYSA-N	400.212	5.126	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1	798020191	XGCOTSGTTXHHHU-FRFSOERESA-N	403.404	5.064	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1	799225763	OUESTQCVULUNCE-HNNXBMFYSA-N	401.869	5.124	30	20	HKED	
C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(F)(F)F)nc1	803063395	PRKIXMUCVRIAGG-CYBMUJFWSA-N	416.355	5.062	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C\c3cccc(NC(=O)C(F)(F)F)c3)oc12	810232281	XHKCNSJCNYUGDY-KTKRTIGZSA-N	403.356	5.228	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccc(C(F)(F)F)s3)no2)c2ccccc21	904968442	CIDIGZTVPMPZAC-UHFFFAOYSA-N	402.401	5.742	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1	920065947	OFVMEJKXYQTPBK-GHXNOFRVSA-N	404.491	5.417	30	20	HKED	
N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1	920265478	OZKWZLDISBIVQE-KRWDZBQOSA-N	413.955	5.607	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CCC1	1785757917	QTTSFDQQBPQIRN-HXUWFJFHSA-N	423.944	5.251	30	20	HKED	
CC(C)CC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1	1790081861	WEHKTLSSCDEKIB-UHFFFAOYSA-N	409.917	5.005	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	1797870222	UZPASFBIPKKCCF-WKPBDKHMSA-N	414.634	5.224	30	20	HKED	
C=CCn1c(SCc2ncc(Cl)n2C)nnc1-c1ccc(C(C)(C)C)cc1	18032421	HQSHJYAQVGUBDG-UHFFFAOYSA-N	401.967	5.108	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1	21754683	FUJNERKDABSLST-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)c(C)[nH]1	23604219	JNSKMXLTKIIGNW-UHFFFAOYSA-O	419.357	5.277	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cccc(Br)c3)c2)c1	32291980	AJPNSQCVDYIDQI-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
CCN(C(=O)Cc1sc(C)nc1-c1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1	45499317	FHCZSSSHMXXGGI-KRWDZBQOSA-N	403.551	5.451	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3cccc(Br)c3)c2)c1	63775485	SLVRZGMRVWAUTD-UHFFFAOYSA-N	407.311	5.190	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2cccnc2)nc2sccc2c1=O	109379699	PXLKVHAOGRFBKA-UHFFFAOYSA-N	407.520	5.124	30	20	HKED	
N#CCCCOc1cccc(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	237910522	GQBANYHSQGHSKH-UHFFFAOYSA-N	417.456	6.124	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(C)c2)c(C)c1	301583302	WLPQCOVDBIVJPX-UHFFFAOYSA-O	409.962	5.604	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1OC	303250307	BDPHVPRTRWQHAB-MLFXKNMZSA-N	420.534	5.274	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccc(F)cc1C(F)(F)F	410135804	SNMJHKFRIXDUCO-UHFFFAOYSA-N	408.317	5.205	30	20	HKED	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C#N)cc2Cl)cc1	430348754	BNNJIEYDXXLENY-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	432628661	FKEXDIQACGPUSE-KRWDZBQOSA-N	404.436	5.328	30	20	HKED	
CC1(C)CCCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@H]1C#N	434022136	NTCLQDPTEGNURN-KRWDZBQOSA-N	403.404	5.047	30	20	HKED	
CCCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](C)c1ccccc1OC	438659166	YSOHYQSHJBPSSF-AWEZNQCLSA-N	405.420	5.591	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)cc1	439639416	BBEUFJSYHPQZPT-GOSISDBHSA-N	421.478	5.340	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(C)sc1C	443425416	IHPOUSRQXXSKCJ-UHFFFAOYSA-N	406.964	5.062	30	20	HKED	
CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12	444252562	XHBITUIFHSIAHT-UHFFFAOYSA-N	417.509	5.082	30	20	HKED	
N#CC(CCN[C@@H](c1ccccc1)c1nccs1)(c1ccccc1)c1ccccc1	444647825	FXFRIRMTLXCLIQ-DEOSSOPVSA-N	409.558	5.722	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	444735594	NTDYQRBACZFJRG-UHFFFAOYSA-N	405.385	5.267	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc2c(cc1Br)CCC2	446430696	XLUMYGDHPHFEMT-RXVVDRJESA-N	424.342	5.241	30	20	HKED	
C=CCc1cc(CNc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc(OC)c1O	446891704	BRLXBKIRJYIRGY-UHFFFAOYSA-N	418.493	5.002	30	20	HKED	
C[C@H](C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1)c1cccc(C#N)c1	463068958	JVOZYHCSQMXWPE-HNNXBMFYSA-N	417.921	6.290	30	20	HKED	
C[C@@H](C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1)c1cccc(C#N)c1	463068959	JVOZYHCSQMXWPE-OAHLLOKOSA-N	417.921	6.290	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(-c2cscn2)c1	463105587	NVZJCCQNJZHXFG-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	463748841	MBNGOCYUMGWDCO-CQSZACIVSA-N	413.518	5.457	30	20	HKED	
Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2)cs1	463776541	QABPMDBABJDNCP-INIZCTEOSA-N	402.306	5.420	30	20	HKED	
C[C@H](C(=O)N(c1ccccc1)c1ncccc1Br)c1cccc(C#N)c1	464209895	RITKZONQYZJBTJ-HNNXBMFYSA-N	406.283	5.184	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccs2)c1)c1cc(C(F)(F)F)ccn1	464408401	IJWGZDLSYKTRGM-QGZVFWFLSA-N	402.397	5.231	30	20	HKED	
C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cn(CCCC#N)c2ccccc12	469806113	CITWVTXTKQJISH-HXOBKFHXSA-N	421.928	5.201	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1	470933730	UCKLMLNNILNDNL-UHFFFAOYSA-N	405.567	5.211	30	20	HKED	
Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	472015349	CRQSHRBVNJDVJU-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cs2)cc1	474442905	AIDLTWZHEJLZLJ-INIZCTEOSA-N	411.552	5.667	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1	474971737	HKFCOOKFJXJKGV-UHFFFAOYSA-N	415.280	5.596	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1	476110071	NQDJNATZAOBQSA-UHFFFAOYSA-N	420.534	5.572	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1	476656733	IDONGVINYHDKLF-MRXNPFEDSA-N	412.358	5.123	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N(Cc1ccco1)Cc1cccs1	478368516	IVEGGWJTDAGVDD-UHFFFAOYSA-N	418.440	5.123	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1	480266151	CGNLZVWAVOHGAP-UHFFFAOYSA-N	420.504	5.530	30	20	HKED	
C=C(C)[C@H](NCc1ncc(-c2ccc(Br)cc2)o1)c1ccc(F)c(F)c1	481611489	RGSMEVHWIQNZNG-FQEVSTJZSA-N	419.269	5.789	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482379037	BVFCTHKROCNPLB-FVMDXXJSSA-N	408.317	5.249	30	20	HKED	
CC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)nc1C	487004472	DBSRDBSPKSFIPJ-GOSISDBHSA-N	409.898	5.168	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCc1nnc(-c2c(Cl)cccc2Cl)o1	489689817	JGRTVHAPBDTXMO-UHFFFAOYSA-N	403.269	5.314	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1ccc(C(F)(F)F)cn1	491954207	DEVZTUGFDUYABQ-INIZCTEOSA-N	418.321	5.661	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc(-c2c(F)cccc2F)cs1	500461134	GUMCTRYIUDXKQL-SJORKVTESA-N	424.472	5.472	30	20	HKED	
CCN(C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	501895214	YUJLWCNSOOIHBP-KRWDZBQOSA-N	419.550	5.692	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccc(F)cc1Cl	502884992	MZUWXZLJZQYRLE-UHFFFAOYSA-N	401.913	5.249	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)c(OC(F)F)c(C)c1	503188544	KATUUVVOSNONDM-UHFFFAOYSA-N	423.419	5.525	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1	503703612	RURCBPAVBJDNGY-NRFANRHFSA-N	418.585	5.142	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3noc(C(C)(C)C)n3)n2)o1	504555730	OPSHCZXAZCOMPH-UHFFFAOYSA-N	422.432	5.513	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2cc(Br)ccc2n1	506001992	LHMSHVBBZZJCAS-HNNXBMFYSA-N	414.328	5.376	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2[nH]ccc2c1	509947038	UJBVVECGPRJASS-UHFFFAOYSA-N	402.267	5.290	30	20	HKED	
CC(C)(C)n1nc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1C1CC1	511077212	ABQGDUDTNOYJKV-UHFFFAOYSA-N	416.550	5.467	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	511082190	MESPJMULRBGYQG-RDTXWAMCSA-N	407.539	5.126	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2s1	513676544	GVGRHUODEVIHCJ-MRXNPFEDSA-N	414.446	5.438	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)c1ccccc1	514028087	ZMQOCBAUKHCHJF-WIYYLYMNSA-N	411.933	5.185	30	20	HKED	
C=CCN(C(=O)c1cc(Cl)ccc1Br)c1nc2c(s1)CCCC2	518168860	FDGPAFFKXRKMNC-UHFFFAOYSA-N	411.752	5.271	30	20	HKED	
Cc1nccn1-c1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1F	518252810	GTPYGGJWVAVXFT-HNNXBMFYSA-N	423.517	5.036	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1	521086536	ZDRHUOLNOMESGU-UHFFFAOYSA-N	411.461	5.554	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	521087051	KSMMQTYEARMSMR-ZWKOTPCHSA-N	411.288	5.795	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)oc12	521416603	IRRVQGXEXPVHMY-KRWDZBQOSA-N	405.498	5.384	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	522319909	VYNHDDYGSCVDQI-RUZDIDTESA-N	412.489	5.123	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1	523881646	LJEBQSAOEKDINF-UHFFFAOYSA-N	417.852	5.141	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	524130674	KCZNRSNCXDHLOZ-UHFFFAOYSA-N	414.461	5.311	30	20	HKED	
N#CCc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)c1	531670052	FRESZMDMFLJXQH-VLGSPTGOSA-N	420.472	5.418	30	20	HKED	
C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1	532106776	AGFSKADRUGFRCA-VWLOTQADSA-N	413.477	5.130	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	533599667	XUHVENLXXZVCKW-UHFFFAOYSA-N	405.523	5.095	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNc2cccc(C#N)c2)cs1	536147671	MOQFUUOPRPQTAZ-UHFFFAOYSA-N	416.428	5.330	30	20	HKED	
COc1ccc([C@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1	537040616	JWLSJIWVGPRWGT-GAJHUEQPSA-N	411.571	5.015	30	20	HKED	
O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cccc(C(F)F)c1	538792131	FUXWIUILVLRRFS-UHFFFAOYSA-N	405.273	5.407	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCO[C@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	539552745	RXPDTZIZEHDBPN-TZMCWYRMSA-N	411.354	5.451	30	20	HKED	
CCc1nc([C@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cs1	542572832	DPKIDVJAIBFBFZ-INIZCTEOSA-N	407.539	5.016	30	20	HKED	
CCCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccccc1	543141371	AQJWSOHJIHOPAY-QGZVFWFLSA-N	404.539	5.329	30	20	HKED	
COC(=O)COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543426451	AGMRSSLGRUZSDZ-RBUKOAKNSA-N	414.505	5.189	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c2ccccc2n1	551026725	LNWCONMOWKUHPX-VWLOTQADSA-N	407.473	5.117	30	20	HKED	
C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	551591422	LFEDEAZYQXBFPK-SECBINFHSA-N	414.214	5.038	30	20	HKED	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(C#N)ccc1Cl	552249138	GNKDWARLVLQTLC-UHFFFAOYSA-N	402.841	5.016	30	20	HKED	
FC(F)(F)c1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc1	560166086	GCFJCWAQGORXLA-CYBMUJFWSA-N	402.260	5.512	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(Cl)cc(F)c3Br)CC2)cc1	563515278	URIWTABJARDLLO-UHFFFAOYSA-N	419.681	5.043	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(OCC2CCCCC2)CC1	570029642	MNXWSTZWUUUNNS-UHFFFAOYSA-N	417.553	5.075	30	20	HKED	
CCC[C@@]1(CO)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	571917076	GJXQWAPZLXZXGX-NZQKXSOJSA-N	411.933	5.012	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3ccccc3OCc3cccnc3)cc2)ccn1	572685766	HYZMUMCGLBRSHD-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
CCOc1ccc(Br)cc1-c1noc(CSc2ccc(C#N)cc2)n1	573172757	DUFSZWNLIDQZSU-UHFFFAOYSA-N	416.300	5.062	30	20	HKED	
Cc1sc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(C#N)c1C	579028873	IKSZFDSUUHXNOA-UHFFFAOYSA-N	412.946	5.007	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1	589741258	AGPHUDKNLKTPQD-UHFFFAOYSA-N	419.500	5.452	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCCC2	594689358	DBBAGAFWILFEHC-KRWDZBQOSA-N	406.551	5.419	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2Br)cc1	603637706	QZRNSTGRYYMTCQ-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
COc1cc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1C	603766278	QBPOKQOWNXJJRE-NRFANRHFSA-N	404.897	5.494	30	20	HKED	
C[C@@H](Nc1ccccc1COCc1ccccc1)C(=O)N(CCC#N)c1ccccc1	603955029	LVMMBVSEKNYEJJ-OAQYLSRUSA-N	413.521	5.151	30	20	HKED	
Cc1nc(SCC(=O)Nc2sc(-c3ccccc3)cc2C#N)c(C#N)c(C)c1C	603968559	BEEIOEJXIRQSRC-UHFFFAOYSA-N	418.547	5.210	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1	609018666	KFMKYTRERKKPAA-FXAWDEMLSA-N	420.538	5.039	30	20	HKED	
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609061951	MJLHYGSPPYNOMC-IBGZPJMESA-N	400.478	5.160	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	609370695	OYTSUFRIOAQKTJ-QGZVFWFLSA-N	422.579	5.306	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1-c1ccccc1	609377266	SHKVQSWKWJWCBO-SFHVURJKSA-N	402.519	5.623	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	609508924	MYUHCLYXZCUIOZ-UHFFFAOYSA-N	423.563	5.172	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@H]2CCOc3ccccc32)cc1	609784518	YAWGTOTYJIYWMS-JOCHJYFZSA-N	414.480	5.183	30	20	HKED	
N#C[C@@]1(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CCSC1	610196979	WHADCBFUPDKRJF-IBGZPJMESA-N	423.390	5.415	30	20	HKED	
CCc1cc(OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2n1	611291849	UOYNNEBXCPYRGQ-MRXNPFEDSA-N	405.523	5.209	30	20	HKED	
CC(=O)N(c1nc(CN2CCC[C@@](C)(C#N)C2)cs1)c1c(C)cc(C)cc1Cl	612164870	JLPPHYZKXHLLNH-NRFANRHFSA-N	416.978	5.224	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	612314477	DDODLXSHPHEJKL-UHFFFAOYSA-N	402.441	5.113	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc(Cl)c1OCCC(C)C	613290574	HBADAEWDDQDBFQ-GOSISDBHSA-N	422.912	5.812	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1cccc(C)c1	617940704	LWOVANQUCFBROE-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1	618730902	LKWOKWOPZRICEH-QGZVFWFLSA-N	412.367	5.134	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1	620304232	KNVPLYPQRRKLNV-CYBMUJFWSA-N	423.469	5.702	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3c(C)nc4sc(C)cn34)s2)cc1	727975038	PDTUUKRPDUPSNE-MDZDMXLPSA-N	409.536	5.349	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc2ccccc2n1C(F)F	728765783	RNNGSSKESYQVCL-KGLIPLIRSA-N	407.342	5.344	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc2cc(F)ccc2s1	730418621	XXMWVNYGDVOALB-CQSZACIVSA-N	404.388	5.362	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1F	730687428	VAUBMAWUJGCKLN-CYBMUJFWSA-N	411.458	5.272	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2c1	734306893	IFNQAPXIRROKKI-VMPITWQZSA-N	405.435	5.104	30	20	HKED	
CSCC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	736971454	FNVKUVOVHSAQAO-CQSZACIVSA-N	403.935	5.054	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	737845719	BEKDYHAWWHLGCG-INIZCTEOSA-N	404.228	5.091	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	748833469	CGXMJQIGYAKBRA-QRVBRYPASA-N	416.502	5.300	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	748840062	VXOYFFPEQKAAGJ-YNEHKIRRSA-N	400.475	5.438	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1	751085597	XHMIMMSPWSUECL-NRFANRHFSA-N	405.295	5.286	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)c2)cc1	751187489	BOENAKKWYAXGOQ-SIKLNZKXSA-N	418.518	5.140	30	20	HKED	
CC(C)n1cc(C(=O)/C=C/c2cnc(-c3ccc(Br)cc3)s2)cn1	751533179	BCQNXWLRHZDFLU-BQYQJAHWSA-N	402.317	5.246	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1OC(F)F	753399061	DERAWNKOSLOAPV-IFCKCIONSA-N	410.445	5.691	30	20	HKED	
COc1cc(C=NOc2ccccc2C(F)(F)F)ccc1OCc1c(C)noc1C	754713087	YYISTSBIXDVLKY-UHFFFAOYSA-N	420.387	5.311	30	20	HKED	
O=C(/C=C/c1cn(Cc2cccnc2)nn1)c1ccc(-c2ccc(Cl)cc2F)s1	758040493	QUXFBOUNWOQKJG-GQCTYLIASA-N	424.888	5.139	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc3c2OCC[C@H]3O)c1	768478663	KRVCDDAYZGONEI-HXUWFJFHSA-N	420.852	5.072	30	20	HKED	
COc1cc(F)c(C(=O)/C=C\c2nc3ccc(Br)cc3s2)cc1OC	773142921	IRFZUSMAWFOJMI-WAYWQWQTSA-N	422.275	5.111	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)s1	773958269	ZTTKESCNUGLKBG-GOSISDBHSA-N	413.502	5.422	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccc(Cl)cc2)n1	774332764	AARFYSPAYOSVEO-OAHLLOKOSA-N	404.825	5.033	30	20	HKED	
Cc1cc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)ccc1NC(=O)c1cccs1	777148429	QKSYCTZAUNXCAM-UHFFFAOYSA-N	416.502	5.221	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)cc1	777302530	OPVFVOJYEOODFR-MGPUTAFESA-N	418.880	5.050	30	20	HKED	
CCN(C)[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	780315374	QORFUDXICABIAX-MAUKXSAKSA-N	417.456	5.184	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780521380	FOAFAGWMWPTLLM-QGZVFWFLSA-N	412.449	5.594	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	780578131	HDUYDIOBQBFRIM-OAHLLOKOSA-N	418.409	5.322	30	20	HKED	
C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(C#N)c2)cc1	782206788	XBSWALLPYKZBIG-INIZCTEOSA-N	415.518	5.044	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc2cccnc12	783711134	SPMXPMAAFDSCGJ-MDWZMJQESA-N	405.519	5.156	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccccc2)o1	784834489	DYLFGYQEYYOLOJ-MRXNPFEDSA-N	412.417	5.222	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1	789717904	AMQOJSQEEAOWJY-UHFFFAOYSA-N	415.559	5.272	30	20	HKED	
CC(=O)N(c1nc(/C=C2\CCc3[nH]c4ccc(Cl)cc4c3C2=O)cs1)C1CC1	790603548	MIMKVMCITRWUBH-XYOKQWHBSA-N	411.914	5.006	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)ccc1NC(=O)OC(C)(C)C	792095781	MFNQJPRDNRYPGU-LJQANCHMSA-N	401.466	5.380	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1cnc2ccccc2n1	792114932	OKCZJLMZABKGOG-BBWFWOEESA-N	410.502	5.166	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(OC(C)C)c(Cl)c2)cn1	792907499	VSCZKKGBVVCZBR-CSKARUKUSA-N	408.885	5.489	30	20	HKED	
CCN(Cc1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1)C(=O)OC(C)(C)C	795197409	LTUYPKPJIRCDIA-UHFFFAOYSA-N	413.905	5.221	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1cccc(CC(C)C)c1	796788613	KFLNEEPZWUYURO-FDDCHVKYSA-N	404.554	5.461	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCSc2ccccc2Br)s1	797566862	BEYKMSXREJFVSB-LBPRGKRZSA-N	423.401	5.562	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCC(F)(F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1	797942418	FAMQAKNFWUJPOI-ZWNOBZJWSA-N	415.292	6.119	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)OCc2ccc(C#N)cc2Cl)s1	810707084	DNPSHKMMOAVNCO-UHFFFAOYSA-N	406.891	5.001	30	20	HKED	
Cc1c(C(=O)Nc2ccc(F)cc2OCC#N)sc2ccc(Br)cc12	815799257	MDGCHNMSMUYYBI-UHFFFAOYSA-N	419.275	5.266	30	20	HKED	
CN(C)c1ccc(C#N)cc1CNc1ccc(-c2csc(C(F)(F)F)n2)cc1	864035231	IINCXMKLYGVEQB-UHFFFAOYSA-N	402.445	5.379	30	20	HKED	
N#C[C@H](C(=O)CCc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915102929	LIIRQERAQDRVDK-CQSZACIVSA-N	407.347	5.987	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2coc(-c3cccs3)n2)cc1	915351690	AZFXMVSLPGOATE-HXUWFJFHSA-N	414.490	5.380	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1	915353810	XSLUFXMQXPONCZ-AOYPEHQESA-N	418.500	5.648	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(OC)cc2F)cc1OC	916141177	CXCXEJOZIWPLKH-YVMONPNESA-N	423.278	5.290	30	20	HKED	
N#Cc1ccc(CSCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	916976130	KRZLMSLIAGBZBP-SFHVURJKSA-N	423.950	5.445	30	20	HKED	
Cc1[nH]c2c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cccc2c1C	917045001	WOBMGIVYOLHGEH-OAHLLOKOSA-N	413.424	5.903	30	20	HKED	
CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	918239692	QLFCCVWADSJHDA-OXQOHEQNSA-N	411.933	5.019	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(-c4ccccc4)cc3)n2)cc1	920142947	XSIMDROUUWOUJY-HSZRJFAPSA-N	419.509	5.768	30	20	HKED	
C[C@H](NN=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1	920385872	JEJZINXQPSRHFM-SFHVURJKSA-N	411.465	5.132	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccccc1CC	10174403	SOGHZRUIMAKUCC-UHFFFAOYSA-O	423.627	5.828	30	20	HKED	
C=CCn1c(S[C@H]2CCCCCC2=O)nc2scc(-c3cccs3)c2c1=O	29284395	SADOCLHHPMDPGA-INIZCTEOSA-N	416.593	5.366	30	20	HKED	
Cc1ccc(Oc2ccccc2NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1	31297296	INHGDAAFVGOXGV-UHFFFAOYSA-N	402.498	5.086	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2sccc2[C@@H]1C	56800279	CHWSKXDTSBSVQE-INIZCTEOSA-N	403.507	5.872	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc2cc(Cl)ccc2s1	195664298	QOVCRKYUGFMYJY-AWEZNQCLSA-N	406.841	5.360	30	20	HKED	
N#Cc1ccc(CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c(F)c1	195673432	YAMNMMGZIYTLOH-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
CCCCc1nnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	255950554	PEZFYEJXBVLYKS-UHFFFAOYSA-N	408.552	5.297	30	20	HKED	
C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccoc1C	302922770	WROMLYROMLBOCD-UHFFFAOYSA-N	410.377	5.111	30	20	HKED	
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(-c3ccccc3C#N)cc2)o1	303143228	BMSWPTYOKZKSDR-RUZDIDTESA-N	406.489	5.216	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Br	303468635	PZCQGDFJIROTRH-UONOGXRCSA-N	419.344	5.107	30	20	HKED	
CCCc1noc2nc(CC)cc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c12	410077732	VAPZLAUSDOEOQI-UHFFFAOYSA-N	420.557	5.062	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(C)c1	428931356	ZVQNFNIPKPVEQO-SFHVURJKSA-N	418.566	5.915	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(SCC#N)c2)ccc1Br	431150228	KWHNRCQXUXHXJW-IBGZPJMESA-N	415.356	5.351	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N(CCC(F)(F)F)CC1CC1	432989813	VCCGTGNSHTVRSQ-UHFFFAOYSA-N	420.300	5.503	30	20	HKED	
CC1(C)CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[C@H]1C#N	434028933	ZJQYBOATQXWSHL-KRWDZBQOSA-N	406.313	5.122	30	20	HKED	
N#CC(CCSc1nnc(N2CCCC2)s1)(c1ccccc1)c1ccccc1	434651084	URPOSBPNGQLUFS-UHFFFAOYSA-N	406.580	5.130	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ncsc1-c1ccccc1	437600280	JABPSQQTAFHYMI-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1Cl	439444585	BPNMPYAOZBEMQZ-CQSZACIVSA-N	423.866	5.470	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccncc1Br)c1ccc(C(F)(F)F)cc1	441544936	KJOSQKJGSFCUAH-MRXNPFEDSA-N	413.237	5.300	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(C(=O)NC)c1C)c1ccc(C(F)(F)F)cc1	442194517	NCHLZHQHTQGHGL-IBGZPJMESA-N	419.447	5.202	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H](C)[C@H]1c1cccc(F)c1	460385693	GTFJMSXRDCCUQB-DVECYGJZSA-N	420.532	5.298	30	20	HKED	
CN(C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CCCC[C@H]1C(F)(F)F	464381543	ANYREANWTXTHRJ-ILXRZTDVSA-N	414.365	5.582	30	20	HKED	
CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H]1CCCC[C@H]1C(F)(F)F	464611973	RHZMCBFJGICWFG-RTWAWAEBSA-N	416.443	5.330	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F	466600742	KWKQOHBUWCRSAK-UHFFFAOYSA-N	418.472	5.138	30	20	HKED	
C[C@H](CC(F)(F)F)NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	466832881	SVFWFJDEFPVARR-LLVKDONJSA-N	400.338	5.017	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1	467469509	XOBSZQLAUBPQBI-GOSISDBHSA-N	402.267	5.137	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1Cl	471205511	VGDKTDIOTKNCDL-XLIONFOSSA-N	421.888	5.214	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc12	474420831	HTGXOFZLTKNZEU-INIZCTEOSA-N	406.536	5.465	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(Br)cc1	475558985	MPRYYYMVWQDXGE-UHFFFAOYSA-N	401.348	5.965	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2cc(OC)c(OC)cc2CC1	475568163	MZUYXWQHPVLUJL-UHFFFAOYSA-N	408.542	5.188	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1	475580995	MSBUOTGXMDHYTO-QFIPXVFZSA-N	423.601	5.185	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1C	476477854	YTXJEQSRUMNGNG-NRFANRHFSA-N	414.505	5.609	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1	476494314	YIGYLZAPPXDFQC-UHFFFAOYSA-N	409.942	5.237	30	20	HKED	
CC[C@H](C)c1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	478303099	HCNHZPCQLDJCAA-INIZCTEOSA-N	402.523	5.406	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccc(F)c(F)c1	480574204	DHOBIQDMFOBKNX-OLILMLBXSA-N	420.525	5.451	30	20	HKED	
C=C(C)[C@@H](N[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)c(F)c1	481625239	WBVICWOEQZGXPO-KSFYIVLOSA-N	424.495	5.001	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nccc4ccccc34)c2C(F)(F)F)c1	483208080	YEUOVGSDCNJWDK-GOSISDBHSA-N	420.394	5.238	30	20	HKED	
C=CC[C@H](C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1ccccc1	487801359	MKPIZWWMUGHDML-IBGZPJMESA-N	420.944	5.623	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1c[nH]c(C#N)c1	489776020	YZENJWGWMCXAFU-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1(F)F	494508486	ITWNJKUFNMZVRD-KSSFIOAISA-N	403.860	5.504	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccc(F)c(Cl)c1	497671434	NNPXMDWKJRPDLS-HNNXBMFYSA-N	408.974	5.138	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	498948128	PFBUOPJJYFKWIX-KRWDZBQOSA-N	400.526	5.039	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1nc2c(s1)CCCC2	499312855	CTZCKYKYXOOKNM-JKSUJKDBSA-N	417.372	5.107	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	499691178	DILRWSVDHXAOHL-SJORKVTESA-N	404.297	5.043	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	500758630	MAQMKPDEGXTYCJ-UHFFFAOYSA-N	414.509	5.740	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)n1	503498172	VXPKYTUHTFYZOT-UHFFFAOYSA-N	400.507	5.311	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12	504273107	BEELWNIUSDCICJ-UHFFFAOYSA-N	409.489	5.303	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	505448756	FGNKZLFILQKPMH-GFCCVEGCSA-N	422.724	6.016	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ncccc4F)n3)n2)cc1	509897037	FBCWLQXYZSLIEO-AWEZNQCLSA-N	420.494	5.266	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510033629	OWFIGRXKHFEEMK-UHFFFAOYSA-N	405.885	5.451	30	20	HKED	
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)NCC(C)(C)CCC#N	513130647	WYTSJRFTRBRBEY-FQEVSTJZSA-N	407.558	5.168	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CNc2cccc(OCCCC#N)c2)o1	513197144	NOKNOAKRYUJGPO-UHFFFAOYSA-N	412.493	5.735	30	20	HKED	
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	513554008	MKZBWSAXTQVFLF-UQBPGWFLSA-N	419.544	5.222	30	20	HKED	
CCOc1cc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C	513677425	WSTWCIRDWZQWBH-INIZCTEOSA-N	401.491	5.191	30	20	HKED	
C[C@H](OCCCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1	514028759	JMKUPKAIFXZHCE-FQEVSTJZSA-N	414.505	5.035	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)Cc1cccc(C#N)c1	514151866	PFCBMTIAGIDXMH-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
Cc1cc(CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C2CCCC2)c2ccccc2n1	517645063	YZWYXPVXAHUYNB-IBGZPJMESA-N	413.521	5.154	30	20	HKED	
CCOc1ccc(OC)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	517646877	PDTJOQWEOYZCDD-UHFFFAOYSA-N	402.450	5.205	30	20	HKED	
CC[S@@](=O)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	517820023	ALTQJHOLJLPGOZ-ACSYHNTCSA-N	422.937	5.375	30	20	HKED	
CO[C@H](C)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	517906094	IVHMPXGNFPVXRO-GOSISDBHSA-N	417.484	5.639	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1	518759846	UFKFCUVSMYVISN-RUZDIDTESA-N	404.941	6.096	30	20	HKED	
N#Cc1c(F)cccc1N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1	518814806	RMXDFQUBSRKVSS-UHFFFAOYSA-N	404.420	5.043	30	20	HKED	
N#Cc1cc(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)cnc1C(F)(F)F	519632282	BOLLJGLXHRVNHV-UHFFFAOYSA-N	420.753	5.079	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CC#N)c3ccccc3)c3cnn(C(C)C)c3n2)s1	521112114	HPJZFVLYDXMATB-UHFFFAOYSA-N	415.522	5.220	30	20	HKED	
N#C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C1CCCCC1	522332393	PJZKTEPCWXLDMY-UTKZUKDTSA-N	421.570	5.170	30	20	HKED	
C=CCN(C(=O)c1ccncc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	525434077	FRIGKYXORWKUAM-UHFFFAOYSA-N	408.285	5.484	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(-c2ncco2)ccc1C	534020362	VFDRJNSTLWQZKJ-UHFFFAOYSA-N	402.372	5.486	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)sc1Br	536186651	GRHDYBHEUUZRRS-SNVBAGLBSA-N	411.346	5.023	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1	537156031	PZFXHCZEKFOYIZ-IAGOWNOFSA-N	417.509	5.122	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1	537716216	QSTADTHOLYUQMS-UHFFFAOYSA-N	406.873	5.012	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1	538436833	VPCXJYNJJMYSQL-WBVHZDCISA-N	414.962	5.135	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3ccccc3)[C@H]3CCCc4ccccc43)o2)cc1	539324985	LEGCCFYRTUTCKL-AHWVRZQESA-N	420.516	5.559	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1-c1ccccc1Cl	539731142	UAPCDWHYPVUFPP-UYAOXDASSA-N	419.916	5.138	30	20	HKED	
C[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(C(=O)c2ccccc2)c1	541366138	FUERARPCSUSKQZ-IBGZPJMESA-N	408.501	5.084	30	20	HKED	
Cc1sc2nc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(O)c2c1C	542015383	KLQHXERTFUIKHA-HNNXBMFYSA-N	414.534	5.403	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1ccc(CC#N)cc1	544059690	JOOWMJOGICLQEJ-UHFFFAOYSA-N	401.466	5.729	30	20	HKED	
N#CCC1CCN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)CC1	544842362	DOGWPJBWEPXHMM-UHFFFAOYSA-N	416.216	5.285	30	20	HKED	
N#Cc1cccc(C2(c3nc(-c4cccc(NC(=O)c5ccccc5F)c4)no3)CC2)c1	544951714	RGTRDZXEEKFQKO-UHFFFAOYSA-N	424.435	5.080	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C)cc1OCc1ccccc1	554421722	KJDNCNFLOSMIRP-UHFFFAOYSA-N	420.509	5.270	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	554909574	ILMSBTWQJGDVCI-ZDUSSCGKSA-N	414.321	5.153	30	20	HKED	
Cc1nc(NC(=O)c2cc(C#N)ccc2Cl)sc1Cc1c(F)cccc1F	557044048	FHMBCSQUUPJLQS-UHFFFAOYSA-N	403.841	5.098	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3cccnc3)cc2)c1	558141035	GLQAKVMARIBMSN-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
C=CCn1c(-c2sccc2C)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	562024977	SWJGVOBSDWSDKW-MRXNPFEDSA-N	407.568	5.452	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(NC(=O)CC)ccc1Cl	562100420	RXXNSQCMCWLFRA-UHFFFAOYSA-N	417.941	5.076	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1c(-c2cccc(Cl)c2Cl)noc1C	562390149	RVALNUAQYHDMEQ-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	564005265	DMHNIJFYATXHIS-VGOFRKELSA-N	417.336	5.050	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(F)ccc1SCC(F)F	576075381	OTDMSFLTRDAXEE-UHFFFAOYSA-N	405.445	5.275	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(Nc2cccc(C)c2)CC1	577300025	DXPACCZINJCYTO-UHFFFAOYSA-N	405.546	5.120	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1	579152708	UCHLORYDCMPJGY-UHFFFAOYSA-N	406.489	5.305	30	20	HKED	
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1I	581325157	JYFPKMNFZXIIDU-KXBFYZLASA-N	404.295	5.377	30	20	HKED	
N#Cc1ccc(NC(=O)CCSc2nnc(-c3cccc(Cl)c3)o2)cc1Cl	589944758	NCZVPZLBBJFFKB-UHFFFAOYSA-N	419.293	5.036	30	20	HKED	
CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(Cl)c(C#N)c1	603752098	JFXOKOGHKFVTST-UHFFFAOYSA-N	412.877	5.090	30	20	HKED	
CSc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-]	603846202	CNGBNWNJTNDJJH-LLVKDONJSA-N	403.872	5.070	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)cn2)cc1	604241694	IMJVKLVNCWGFEP-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C[C@H](CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1	608965800	MNXAYRIXTSUAIV-LJQANCHMSA-N	400.547	5.726	30	20	HKED	
CCCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](C)c1ccc(C)o1	609056357	INEGBFCWHAEOBA-SFHVURJKSA-N	406.482	5.635	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)c1	609064275	NESUJIFMWMJYFQ-UHFFFAOYSA-N	406.482	5.148	30	20	HKED	
Cc1cccc2sc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c(Cl)c12	609460816	RTAQPESOTJLISO-ZDUSSCGKSA-N	408.832	5.877	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(n3ccnc3)CC2)cc1Cl	609554042	QRQJXACXMHRQCT-OAQYLSRUSA-N	419.916	5.061	30	20	HKED	
CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1	610306344	LCDYVGUKLUWWMD-UHFFFAOYSA-N	412.489	5.362	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)N[C@H](C)c1cccc(C#N)c1	610750138	MFDBKAQCCKOEDS-QGZVFWFLSA-N	405.523	5.101	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c(Cl)c1	611093543	DBFGCCWIWUSOBY-UHFFFAOYSA-N	402.325	5.146	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc2ccccc2n1	613290610	JKCZKADRHVDMLD-HSZRJFAPSA-N	418.452	6.050	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c4ncccc34)cn2)c1	619744472	IUTJCLDRDYBCRM-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
COCc1nc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(-c2ccccc2)s1	669601540	SJSYGGXCTCOWST-AWEZNQCLSA-N	423.494	5.195	30	20	HKED	
N#C[C@H](C(=O)c1coc(C2CCCC2)n1)c1nc2cc(C(F)(F)F)ccc2s1	670115921	KGAIXICSHCLCJR-GFCCVEGCSA-N	405.401	5.451	30	20	HKED	
O=C(NCc1ccc(Cl)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	681658101	IQYRBCFVXUUYRC-IAZYJMLFSA-N	420.756	5.188	30	20	HKED	
CC(C)(C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F	682711224	ATUCBZLIOHITSX-AOOOYVTPSA-N	419.768	5.346	30	20	HKED	
N#CCCn1cc(C=NN=C2c3ccccc3-c3ccccc32)c(-c2ccccc2)n1	725798237	SGUSFXJCPYNHHY-UHFFFAOYSA-N	401.473	5.316	30	20	HKED	
C#Cc1ccc(C(=O)N(CC=C)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc1	728804209	LKVQXAVNJFCKEQ-UHFFFAOYSA-N	414.317	5.326	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730685988	LDYNNWCIPQAAMD-IXDOHACOSA-N	411.288	5.478	30	20	HKED	
C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	730994320	JSBXPBWFTXOHOK-ZDUSSCGKSA-N	410.436	5.668	30	20	HKED	
N#C[C@H](C(=O)/C=C\C1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	732707642	CKMJAIMFCPVFDJ-AIOIPUTFSA-N	407.322	5.276	30	20	HKED	
COc1cccc2cc(C(=O)/C=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)oc12	733083674	ONPUOIRTJGTRKJ-HJWRWDBZSA-N	406.419	5.369	30	20	HKED	
N#CCOc1ccc(COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1	733424815	WAWSQGJGEOULJB-UHFFFAOYSA-N	410.429	5.268	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(Br)cc3ccccc23)c1	733772110	ZYVBQLAZSCJKKA-GOSISDBHSA-N	423.310	5.213	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c1	733804664	HIHDBRLJEVBJBN-BEFAXECRSA-N	419.447	5.289	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(SC)cc3)n2)cc1	741113549	SUWJCOOXUGXFDS-LIRRHRJNSA-N	424.547	5.184	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2ccc(N3CCOCC3)c(F)c2)cc1	741469986	OCIAUUKQMKYDOJ-QPEQYQDCSA-N	417.480	5.234	30	20	HKED	
CCOc1c(OC)cc(/C=C2/C(=O)c3cccc(Br)c3[C@H]2C)cc1OC	742435471	UICPWVVEXRGWME-DGGAMASNSA-N	417.299	5.248	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc(-c2ccncc2)cs1	744064368	UTKBQXXONZUAKD-GVDBMIGSSA-N	414.317	5.492	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Cl)c(Cl)c1	747106416	SCUXGYIQTNJDGQ-ZYHUDNBSSA-N	408.235	5.718	30	20	HKED	
COc1cccc(/C(C)=C\C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	751237836	BKVFKIRMRSWLEL-MNDPQUGUSA-N	412.489	5.382	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1cnc2ccccc2n1	754707040	XVSGYSCABMEAPP-UHFFFAOYSA-N	404.905	5.097	30	20	HKED	
N#C[C@H](C(=O)CCc1ccncc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759218411	YVOPKQOKBGPZOD-OAHLLOKOSA-N	402.306	5.321	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)nc1-c1ccccc1	763560794	OXYOGSLHTUDEAA-FCHUYYIVSA-N	401.510	5.207	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1	764228791	DYZYPEYBZFIDII-QGZVFWFLSA-N	416.319	5.014	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cnc(C2CCCC2)s1	767756008	XWSPTZSKICQLGY-UHFFFAOYSA-N	420.563	5.430	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCC3(C#N)CCC3)c3cnn(C(C)C)c3n2)c(C)s1	768076863	DBYULIFNIWCAMO-UHFFFAOYSA-N	408.527	5.208	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1C#N	774819830	MAYACLVGTULDQO-UHFFFAOYSA-N	411.767	5.051	30	20	HKED	
CC(C)(C#N)CCCOC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1	780852012	UPRAZYMXGSZGAI-FQEVSTJZSA-N	412.917	5.074	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c[nH]c2ccccc12	786311866	NQBXPHADSQEQSA-RDTXWAMCSA-N	419.937	6.315	30	20	HKED	
N#CC1(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CCCCC1	786976264	VYZUXRBGZSDZJT-UHFFFAOYSA-N	422.312	5.383	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1	788572904	VHJBZDHFSNAKIX-LVXARBLLSA-N	424.548	5.380	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1cnc2ccccc2n1	792101613	SQOXUZBALXYFRS-CYFREDJKSA-N	413.864	5.280	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCC(=O)c2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	793122146	PVECNKXXBBNRHX-LSDHHAIUSA-N	414.408	5.252	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)[C@@H]3OCCc4sccc43)n2)cc1	796764054	OHOFPIWHCNOIHT-OXTHUFEASA-N	408.548	5.306	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(SC(F)F)c3)CC2)c(F)c1	806252846	KYJBJWLZWDMHHT-UHFFFAOYSA-N	421.444	5.087	30	20	HKED	
Cc1nn(C)c2sc(C(=O)/C=C/c3cccc4c3N(C(=O)OC(C)(C)C)CC4)cc12	806578562	IBWSFBWKIPEJPM-MDZDMXLPSA-N	423.538	5.137	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1cc(C(F)(F)F)ccn1	813218572	XOJVJAPEYUUEQM-CQSZACIVSA-N	421.831	5.296	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)sc2ccc(Br)cc12	815897640	CJHOGKMSJZRKSU-ZDUSSCGKSA-N	410.296	5.339	30	20	HKED	
Cc1noc(C)c1CSCC(=O)N1CCCSC1=Nc1ccccc1C(C)C	864012922	JUZKFPYLWNNIKP-UHFFFAOYSA-N	417.600	5.301	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4c(Cl)n3)s2)cc1	915143465	BTQCEQTWDVTAFS-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
C(=NNCc1cccc2cccnc12)c1cn(-c2ccccc2)nc1-c1cccs1	915959514	OHHHWBSHRPCJOB-UHFFFAOYSA-N	409.518	5.273	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(F)cc(Br)c2)cc1	916950651	VLFHKJLHTWDTFJ-KPZWWZAWSA-N	417.278	5.063	30	20	HKED	
COc1cc(/C=C\C(=O)c2c[nH]c3ccccc23)cc(Br)c1OC(F)F	917146403	ZQRLWDCNJSUCNX-SREVYHEPSA-N	422.225	5.437	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(CC(C)C)cc1)[n+]1ccc2c(c1)CCCC2	917610204	YFQVFALTHTZJBM-UHFFFAOYSA-O	421.630	5.428	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(CC)noc3C)cc2)CCC1	1789814806	LXSADEXPPCPSQK-HXUWFJFHSA-N	421.541	5.062	30	20	HKED	
C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1	1826424710	UCVNEEZJAIQRDG-OPHFCASCSA-N	410.602	5.012	30	20	HKED	
C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1	1832699403	CEDNRYWXUXDNBO-VWLOTQADSA-N	416.565	5.163	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1	5234250	WFCPQZMEVUZOND-RMKNXTFCSA-N	410.813	5.363	30	20	HKED	
C=CCn1c(SCC(=O)N[C@H](CC(C)C)c2ccccc2)nnc1-c1ccccc1	7439780	YWZYXOZMQLVJME-OAQYLSRUSA-N	420.582	5.127	30	20	HKED	
N#CCC[C@H](C#N)CSc1nc(-c2ccc(Br)cc2)nc2ccccc12	15244758	XIQHXBGFSQFVQL-CQSZACIVSA-N	423.339	5.595	30	20	HKED	
N#Cc1ccccc1COC(=O)CSc1ncnc2scc(-c3ccccc3)c12	18267357	BATGNZCHJQZYJW-UHFFFAOYSA-N	417.515	5.065	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\Nc3ccc(CC#N)cc3)c3ccccc3C2=O)cc1C	18992300	LNURXNRQNAIDJS-JLPGSUDCSA-N	407.473	5.010	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cccc3ccccc23)n1	21514474	MDJZTWFOHKNKLV-UHFFFAOYSA-N	401.413	5.165	30	20	HKED	
C=CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccoc1C	22415568	WDRCKLFYYLHTTB-UHFFFAOYSA-N	412.518	5.864	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1	24731347	MYFDGBGJCBMBKD-JOCHJYFZSA-N	414.534	5.430	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc(C)nc(C)c2C#N)cs1	25961074	UIRXCCOVZYOBJZ-UHFFFAOYSA-N	423.567	5.015	30	20	HKED	
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1F	57435348	URORVPRHKADXRS-DHZHZOJOSA-N	401.416	5.168	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1	58932479	IDSAANXVZPAYKT-UHFFFAOYSA-N	422.529	5.249	30	20	HKED	
C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nc2ccccc21	302994870	JWGLIIUHCOGECE-UHFFFAOYSA-N	420.563	5.152	30	20	HKED	
Cc1occc1-c1nnc(S[C@H](C)c2ccc(C#N)cc2)n1Cc1ccccc1	303672552	GTSQQJWBSFMQIR-QGZVFWFLSA-N	400.507	5.620	30	20	HKED	
N#CCCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	431633615	DAPBQDOMKUPMHT-QGZVFWFLSA-N	416.852	5.072	30	20	HKED	
C/C(=C/c1ccc(-c2ccccc2Br)s1)c1nc(=O)c(C#N)c(C)[nH]1	435337073	UAIUQRBLFSUNJK-LUAWRHEFSA-N	412.312	5.002	30	20	HKED	
Fc1cc(F)c(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F	436400908	MOMFQVLRVGLFOL-HNNXBMFYSA-N	401.272	5.906	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC3CCC4(CCOCC4)CC3)cc2)c1	438643517	UTHHUXVUIYKRNU-UHFFFAOYSA-N	405.498	5.211	30	20	HKED	
N#Cc1cc(NC(=O)C(=O)Nc2csc3ccccc23)ccc1Oc1ccccc1	440499160	MQDBDHKPGLVGOD-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c2ccccc21	444334889	IUBCURRWPLOXEV-SFHVURJKSA-N	421.928	5.282	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@H]1C	460580942	ZCQPITBEZACTBN-FZKQIMNGSA-N	407.345	5.136	30	20	HKED	
C=CCn1c(SCc2cncc(C(F)(F)F)c2)nnc1-c1cccc(Cl)c1	460871350	ZVXIHYMOASNSLJ-UHFFFAOYSA-N	410.852	5.491	30	20	HKED	
CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccc(C#N)cc1	461539629	ISXNGXKOOAFPIU-UHFFFAOYSA-N	415.522	5.279	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(Br)c1	462444953	GIRVJRBRIJYOKB-CQSZACIVSA-N	422.282	5.250	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2SCCc3ccccc32)cc1	463286858	LWMFOYDFPDURDN-DEOSSOPVSA-N	414.530	5.301	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1cc(C(F)(F)F)ccn1	464475104	ULKOPOJRWPOWPA-LJQANCHMSA-N	414.358	5.309	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)c(C)c1Cl	464480572	ZAFYQHOYSZINPJ-INIZCTEOSA-N	418.806	5.046	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1	467342512	KPODALDFCOLIMG-UHFFFAOYSA-N	403.526	5.292	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)c2ccccc2C(F)(F)F)cc1	468484990	BHZLAXBDKBRYPS-UHFFFAOYSA-N	401.409	5.218	30	20	HKED	
CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	470087490	NVEIYYOSXYVYGJ-UHFFFAOYSA-N	403.457	5.349	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H]1c1ccccc1	480608561	JZSFUBBUIPIXNM-MZNJEOGPSA-N	415.468	5.501	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)cc1Br	480654451	SOZCLAGXAHXUSN-UHFFFAOYSA-N	415.740	5.393	30	20	HKED	
CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483219026	JGNSRCSWYHCRRL-IBGZPJMESA-N	411.486	5.063	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N(Cc1ccccc1)c1ccccc1	487403748	WGIVPNSEIXBDMY-HXUWFJFHSA-N	415.562	5.584	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc2ccccc2n1C(F)F	497818423	UPLZFDOXJRMSPF-HNNXBMFYSA-N	416.431	5.461	30	20	HKED	
CCCn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1	497897767	BJIPDUBJCVUPNY-FQEVSTJZSA-N	418.928	5.732	30	20	HKED	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	498949974	XXNPOBLOAXIDTE-OALUTQOASA-N	420.516	5.224	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)n2)c1	501114173	CFMNEDCEAMHVEG-UHFFFAOYSA-N	424.407	5.501	30	20	HKED	
O=C(Nc1ccc(NC2CCOCC2)cc1)Nc1cccc(C#Cc2ccccc2)c1	502326711	QXBBBFVPEHAXSM-UHFFFAOYSA-N	411.505	5.321	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)c1occc1CSc1ccccc1	502899642	RLXWUFNHIBCSHN-UHFFFAOYSA-N	408.548	5.107	30	20	HKED	
CCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCSc2ccc(Br)cc21	504650599	QFFRFWCYFUIULE-SFHVURJKSA-N	415.356	5.214	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1OC(F)(F)F	508227037	QKHLAJJHDINYNM-UHFFFAOYSA-N	408.685	5.381	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1Cl	511264362	DTHFSBAZKSURGE-QGZVFWFLSA-N	404.695	5.343	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1C	513177031	UTGIJFXFZYBSMG-FQEVSTJZSA-N	422.406	5.438	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(OC3CCCCC3)CC2)cc1	514746287	FHDUUDJRFFAQBX-UHFFFAOYSA-N	417.553	5.249	30	20	HKED	
N#Cc1c(NC(=O)c2cc(-c3cccc(F)c3)no2)sc2c1-c1ccccc1CC2	515628008	VIHZOTSWQKDHEE-UHFFFAOYSA-N	415.449	5.432	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccoc3)n2)nnc1-c1ccccc1OC	518130728	WQFRMSGDUADBNM-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc2ncsc2c1	518264211	HQRCSGMUAMDAMZ-CQSZACIVSA-N	415.478	5.238	30	20	HKED	
N#Cc1csc(CNc2ccc(Oc3ccc(F)cc3)c(Br)c2)n1	519859967	RBQXLCAXBDDYPY-UHFFFAOYSA-N	404.264	5.321	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)cc2)cc1	519988909	RLNJMZCIVWBOQJ-UHFFFAOYSA-N	423.472	6.178	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccccc1OC(F)F	520951207	WFBOHZCFUUTXRF-QGZVFWFLSA-N	408.448	5.589	30	20	HKED	
CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	521197693	XIQRPHLWKZSMLG-UHFFFAOYSA-N	410.930	5.313	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c12	521316917	OIPXZDMXFKNAQA-UHFFFAOYSA-N	410.433	5.325	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(Oc4ccccc4)c3)n2)cc1	522875813	QLKPMCPHRUFALW-HXUWFJFHSA-N	422.469	5.359	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1	524174412	NNWKBEWGPFZYJT-UHFFFAOYSA-N	419.378	5.237	30	20	HKED	
CCOc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1CO	534995907	AEVHJGFVOLYBGE-UHFFFAOYSA-N	422.868	5.147	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)cc2)cc1	536310818	MEYDADUNJMGOOG-AREMUKBSSA-N	412.489	5.326	30	20	HKED	
CC[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccccc2[nH]1	540308094	MFEXWLMEFYMGQB-OAQYLSRUSA-N	409.493	5.052	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](Cc3ccc(Cl)cc3)c3ccccc3)o2)cc1	540380521	OCYSFXVVLQXOKT-JOCHJYFZSA-N	414.896	5.335	30	20	HKED	
COC(=O)c1ccc(-c2nc(CNc3ccccc3S[C@@H](C)CC#N)co2)cc1	541077767	XSRZBFVQHGAQTB-HNNXBMFYSA-N	407.495	5.135	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CCC3)oc2c(Br)cccc12	542011732	VQAWFHNODBYIEH-UHFFFAOYSA-N	401.285	5.178	30	20	HKED	
N#CCc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1	544074890	BWNBYCOSWSRZIQ-UHFFFAOYSA-N	406.294	5.314	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1	546084309	FPWUEAXWGHJZPG-GJZGRUSLSA-N	400.931	5.582	30	20	HKED	
C=CCC[C@H](NC(=O)c1ncsc1C(F)(F)F)c1ccc(C(F)(F)F)cc1	549006021	GMRFWUFGQMLVTP-LBPRGKRZSA-N	408.367	5.618	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)[C@@H]1CC[C@@H](C(F)(F)F)C1	552142303	SPPKZTQOEIXVDU-CKYFFXLPSA-N	423.275	5.283	30	20	HKED	
N#CC(CCN[C@@H](c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccc1	552794590	KEMHXQXSKMGBJR-MHZLTWQESA-N	403.529	5.661	30	20	HKED	
COCC[C@](C)(C#N)NC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1	554774238	BQISSNVLIFUERZ-HXUWFJFHSA-N	423.365	5.334	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1C[C@@H]2CC[C@H](C1)N2C	558288019	KNDPWGNKTIKMDE-CZJMCEMMSA-N	422.960	5.084	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1	562171914	WJWUOYQYXSPWSP-CQSZACIVSA-N	419.497	5.196	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2ccccc2C(C)C)cc1C	572761266	GMTGBZKANPIHCF-UHFFFAOYSA-N	400.526	5.481	30	20	HKED	
N#Cc1ccc(CNCc2csc(CCc3ccccc3)n2)c(C(F)(F)F)c1	572891604	JFEGTUYOESIIKD-UHFFFAOYSA-N	401.457	5.109	30	20	HKED	
CCO[C@@H](c1noc(CC(C)(C)C(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F	573364462	RLAODYLQTIYLRN-CYBMUJFWSA-N	414.321	5.484	30	20	HKED	
Cc1ccc(Oc2ncccc2-c2noc(CC(C)(C)C#N)n2)c(Br)c1	577441125	JQNPMFBXFDWZFP-UHFFFAOYSA-N	413.275	5.087	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)CCCCCC#N	588161603	ZPMKANABRXZCMS-ZDUSSCGKSA-N	420.376	5.532	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccc(Br)o2)c(F)c1	590242315	OBBXIIVXRMFFJX-IBGZPJMESA-N	403.226	5.071	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)c1	603732782	FDRROCGGLDJFQR-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
N#CCCCOc1cccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1	604008848	RXCHCGFJIFYCCK-UHFFFAOYSA-N	402.376	5.050	30	20	HKED	
C[C@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)N(CCC#N)c1ccccc1	608929468	BGBCWKKLIJRQSQ-KRWDZBQOSA-N	412.559	5.010	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1ccc(Cl)c(Cl)c1	609427636	VTVBYCXRVYOVNZ-CQSZACIVSA-N	407.366	6.349	30	20	HKED	
Cc1cc(CN(C(=O)c2cc3ccccc3n2CC#N)C2CCCC2)c2ccccc2n1	609522532	WJSXGKIJWFNYLP-UHFFFAOYSA-N	422.532	5.607	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)n1	609646698	OGYUUACANPVMPY-UHFFFAOYSA-N	424.435	5.507	30	20	HKED	
C=CCN(C(=O)C[C@@H]1CCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609651117	KFUUMEJGFVMHMQ-SFHVURJKSA-N	419.506	5.357	30	20	HKED	
CC[C@@](C)(NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nccs1	610048791	FPUQRNHNAMQEKZ-OAQYLSRUSA-N	411.914	5.516	30	20	HKED	
N#Cc1c[nH]ccc1=NC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1	610180046	QTKVKPWISIUTPM-UHFFFAOYSA-N	414.317	5.227	30	20	HKED	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	610321664	RJEKJIJBKRYSOX-AOYPEHQESA-N	411.505	5.183	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1SCC(F)(F)F	610628101	HBSADZYZLVEFRZ-SJLPKXTDSA-N	419.472	5.645	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	611109601	WIJDHUJUEOHOMC-WWNPGLIZSA-N	417.509	5.128	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc(C#N)c1	613372716	DLFHZIXJNCQWLC-LIRRHRJNSA-N	420.513	5.259	30	20	HKED	
CC1CCN(Cc2ccccc2CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1	616693895	DQLXCIHINFCZTI-UHFFFAOYSA-N	416.352	5.027	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccnc2OCc2ccccc2)c2ccccc21	618189894	HLWAWAVIJIQNCZ-UHFFFAOYSA-N	410.477	5.171	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(-c2csc(C)n2)cc1	623692628	JEWYHYODLKVXNY-UHFFFAOYSA-N	407.539	5.025	30	20	HKED	
Fc1cc(Br)cc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	674005254	BQCVDTPSYNSHKF-NXEZZACHSA-N	408.155	5.151	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	678768567	AMYRWDBMRJITOD-QMSLJYSESA-N	424.719	5.649	30	20	HKED	
CC(C)(C)c1nc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1	726859542	KGXGSPVMWQVDLY-GFCCVEGCSA-N	417.506	5.261	30	20	HKED	
CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SC[C@@H](C#N)CCC#N	726860813	VTTXCHBWWIRPIK-OAHLLOKOSA-N	417.376	5.504	30	20	HKED	
Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1NC(=O)c1ccccc1F	727635799	ADXHTWZRBOTYML-INIZCTEOSA-N	402.425	5.176	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)N[C@H](C)c1ccc(Cl)cc1Cl	730954963	PZBVRVSHWAOWBU-QWHCGFSZSA-N	424.422	6.293	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)nc1Cl	730995058	OJUJHFVNNXACRY-UHFFFAOYSA-N	420.243	5.665	30	20	HKED	
O=C(/C=C\c1cnc2ccc(Cl)cn12)c1c[nH]c2cc(Br)ccc12	737445393	YYRPLXPNNNUXCK-HYXAFXHYSA-N	400.663	5.128	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1	739154616	LFMPKEFVQPDBMQ-KSSFIOAISA-N	412.917	5.061	30	20	HKED	
COc1cc(Br)c(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc1O	741473458	PZZXQUSXUVBOSX-AATRIKPKSA-N	410.267	5.121	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744076160	ZZEOKBWYAYAQFE-YGTYGHESSA-N	418.509	5.638	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)s2)c(C)c1	746417434	XWSZWBTVOZHJTA-SFHVURJKSA-N	423.925	5.350	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)cc1	748213199	XDMMOFIJUGKSID-BUHFOSPRSA-N	403.404	5.055	30	20	HKED	
C[C@H](Cc1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	754530273	DYEOENQXCSIUFW-RISCZKNCSA-N	409.700	5.173	30	20	HKED	
C=C(Br)CNC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	755130783	UIPAZSVKZIKYIP-JTQLQIEISA-N	414.756	5.041	30	20	HKED	
C=C(C)[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)OCC	756515252	LHMONZLKSYBAOH-KDOFPFPSSA-N	409.338	5.664	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)c2c(F)cc(C#N)cc2F)oc1-c1ccc(Cl)cc1	764011452	KCJWHGOGONNTBG-LLVKDONJSA-N	402.784	5.371	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccccc2OCc2ccccc2)c1	772983017	ITGGBBUZGBLXMU-NFBKMPQASA-N	400.522	5.797	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(SC(F)F)c(OC)c2)c1	772985771	YLTZEJMFPAVPGC-WMLDXEAASA-N	406.498	5.542	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(Cl)c1SCC(F)F	780581997	XLXQBRHKKWQCBI-LLVKDONJSA-N	411.861	5.632	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CC3CCC(C(F)(F)F)CC3)n2)cc1	783360791	HNXAGQKOWQYGFL-QWFMPGPPSA-N	417.456	5.617	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	789457810	WZVYADNBDYHYDK-LJQANCHMSA-N	415.578	5.450	30	20	HKED	
O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc2nccnc2cc1F	791622091	FVWRSEHLLJFGSD-HNNXBMFYSA-N	418.268	5.248	30	20	HKED	
N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nccc2ccccc12	792102689	JCBBOAWNGOHHHW-KRWDZBQOSA-N	411.288	5.771	30	20	HKED	
N#C[C@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1nccc2ccccc12	792103602	SMKWTCNKKKYDEG-JOCHJYFZSA-N	416.484	5.052	30	20	HKED	
Cn1nccc1[C@H]1CCCC(=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)C1	794980933	IJQKWUPDODNLCL-HNNXBMFYSA-N	414.435	5.022	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(C(=O)Nc3sc4c(c3C#N)CCC4)ccc21	796517818	IRVSRPDVDPANCJ-UHFFFAOYSA-N	423.538	5.048	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](CC#N)c3ccccc3)n2)cc1	796660209	CAILZMQGLBSJHZ-UYAOXDASSA-N	401.491	5.083	30	20	HKED	
Cc1c(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)sc2ccc(C#N)cc12	796755674	KVADZGRXFLRCRC-UHFFFAOYSA-N	402.431	5.146	30	20	HKED	
O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc2nccnc2cc1F	809125748	UAHGSXMWONENQP-HNNXBMFYSA-N	418.268	5.248	30	20	HKED	
CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1ccc(N2CCC(O)CC2)cc1	811689642	ILUBEFHJBTTXJL-DJFOPYSZSA-N	413.464	5.092	30	20	HKED	
CO[C@@H]1CCC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	815911491	CWYCKACXTHTVDT-LNSITVRQSA-N	409.338	5.498	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(C(F)(F)C(F)(F)F)cc2)c1	864025415	SLQZBIOIJSCPBV-UHFFFAOYSA-N	405.164	5.587	30	20	HKED	
CC(C)n1ncc2cc(C=NNc3nc(Cl)c(Cl)cc3Cl)c(Cl)nc21	874065824	ATLQMHJWIRESMF-UHFFFAOYSA-N	418.115	5.467	30	20	HKED	
COc1ccc(C(C)=NNc2cnccn2)cc1CSc1nc2ccccc2s1	912961094	CEZLTDCOPPARRO-UHFFFAOYSA-N	421.551	5.223	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1	914520792	PVLNKVKBNIBRLU-GHXNOFRVSA-N	415.424	5.161	30	20	HKED	
Cc1ccc(Oc2ccc(OCC(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)cc1	916848813	IEYICHYKPCUKSC-QHCPKHFHSA-N	408.457	5.591	30	20	HKED	
CC(C)Cc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916886327	FRFGEDQSIYHHOQ-LJQANCHMSA-N	416.493	5.090	30	20	HKED	
Cc1ccccc1SCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	916907706	ZWAVNAVMJSEYQP-LJQANCHMSA-N	416.502	5.227	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1	916955368	PUXAAIFDXYBBJA-AUUYWEPGSA-N	421.497	5.424	30	20	HKED	
N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1	917025534	NASOWTAZXYNHKR-QHCPKHFHSA-N	408.526	6.209	30	20	HKED	
CC(C)c1ccccc1OCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917042501	FOWAUAAYPRUNJT-HNNXBMFYSA-N	418.440	5.694	30	20	HKED	
Cc1cccc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCC2)c1	917043457	KNYVTJAIARNUOD-MRXNPFEDSA-N	414.452	5.922	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3c(c2)-c2ccccc2C3)cc1	918628397	XKGGBWMGQIWBLV-UHFFFAOYSA-N	406.407	5.334	30	20	HKED	
COc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)cc1OC	920065013	DKOLFJMGPGVFHE-MDZDMXLPSA-N	403.265	5.092	30	20	HKED	
CCN(C(=O)c1ccc(-c2cccc(Cl)c2)nc1O)[C@@H](C)c1ccc(C#N)cc1	1264599591	JARCKUFXOXAYHW-HNNXBMFYSA-N	405.885	5.203	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5ccccc5c4)cc3)CCC2)C1	1787701268	SECZYAUNIOGMDN-UHFFFAOYSA-N	424.544	5.483	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2Cl)CC1	1829862579	MVEPAZNDLOVKBO-IBGZPJMESA-N	420.981	5.159	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c1	10612955	SFXROUJJFBCBAF-UHFFFAOYSA-N	418.472	5.436	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)n1	22360857	PEVWQWSGLPKXLU-QGZVFWFLSA-N	403.507	5.482	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(CC)cc2)cc1	22731355	WKKOOTQWERUXAO-UHFFFAOYSA-O	419.570	5.295	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)o1	23426729	AHDPRRWLGSMYIU-ZDUSSCGKSA-N	419.959	5.147	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1OC	29902583	NYAVAQPPAFSIJE-UHFFFAOYSA-N	415.795	5.107	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cccs1)c1ccc(C(F)(F)F)cn1	41554601	NHZCVDGVHGCPQF-INIZCTEOSA-N	418.465	5.944	30	20	HKED	
Cc1ccc(SCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	49723915	WBOKPJUXDZCDTE-UHFFFAOYSA-N	403.507	5.483	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1	54507275	LWLHBGJEHCYEPD-OAHLLOKOSA-N	418.884	5.347	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)c2)c1	64354894	RWIRUPCUDPKLHV-UHFFFAOYSA-N	401.853	5.524	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC2CCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1	64715226	PJBBFHWZYUEQPS-QGZVFWFLSA-N	424.472	5.900	30	20	HKED	
C[C@@H](C#CC(O)(c1ccccc1)c1ccccc1)c1ccc2cc3ccccc3cc2c1	98178410	ITVMIASCSFHJJJ-QHCPKHFHSA-N	412.532	7.036	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	107648729	VXQFLFMUTAYEEZ-OPAMFIHVSA-N	415.880	5.273	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1F	218653676	IOARLTXVIWSHFS-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2ccsc2)nc1N1CCC[C@H]1c1ccsc1	302826922	HPINLTOTWOOBPY-PMACEKPBSA-N	406.580	5.759	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCCC2)cc1C	303767442	GLEZUFNVCIDFDK-UHFFFAOYSA-N	404.432	5.431	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnc4cnccc4c3)cc2Cl)cc1	409493151	SZZGIOIEXPLGJB-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1nc(CCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1	426162452	RSXPVDIBDUOEBB-UHFFFAOYSA-N	405.523	5.058	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	428064662	REKQDCQPJTYVHT-QGZVFWFLSA-N	419.506	5.262	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)c2nc3c(C)ccnc3[nH]2)cc1F	429573909	OFMMXZMUPCJVTE-SFHVURJKSA-N	402.404	5.010	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1CCC	429614878	AYHTYDCLELCKIN-UHFFFAOYSA-N	417.488	5.056	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1	429862575	VRMXPEYHMXVPNT-UHFFFAOYSA-N	409.898	5.182	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCC(F)(F)C2)cc1Cl	431113204	SGNQHXDQARSUKZ-KSSFIOAISA-N	403.860	5.552	30	20	HKED	
O=C(Nc1cccc(OCC(F)(F)F)c1)N[C@@H](c1cc(F)ccc1F)C(F)F	433227110	PZHICBFWHBJDQR-AWEZNQCLSA-N	410.289	5.034	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C1(c2ccc(C#N)cc2)CC1	436352119	LQVDKCPGNSMLBR-UHFFFAOYSA-N	413.521	5.116	30	20	HKED	
Cc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)c1ccccc1	436359502	KNAAYSHLVPJFFU-ZCYQVOJMSA-N	423.516	5.159	30	20	HKED	
C=CCC[C@H](NC(=O)N(CC)[C@@H](C)c1cccnc1)c1ccc(C(F)(F)F)cc1	441531236	BQSUJAZKHDFYQH-JXFKEZNVSA-N	405.464	5.900	30	20	HKED	
CCn1ncc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c(C)nc21	442508184	CQWYYMWKZNHNEM-QGZVFWFLSA-N	421.913	5.027	30	20	HKED	
Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1Oc1cccnc1	444024262	PZTDVJBDGABDNU-UHFFFAOYSA-N	410.477	5.693	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2CC2)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1	447157244	SJNLNRWIXSXYQV-HNNXBMFYSA-N	414.317	5.879	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(c3cc(C#N)ccc3C(C)=O)C2)n1	447695272	WDDFXCVLPDQGHA-SFHVURJKSA-N	417.534	5.277	30	20	HKED	
N#CCCCC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	461741323	DJENMGMNSFSQTN-KRWDZBQOSA-N	400.309	5.417	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1Cl	462876143	JIRSGACQDKKNEF-UHFFFAOYSA-N	408.716	5.374	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)cc1	464955477	UUNTXAXIMKTYPZ-IZZNHLLZSA-N	421.500	5.049	30	20	HKED	
COc1ccc(CC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)cc1	468962565	MXFNMHBVFPSSGJ-UHFFFAOYSA-N	415.537	5.049	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	470133452	ORURKNPWVXZGSO-SCZZXKLOSA-N	420.300	5.154	30	20	HKED	
COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)cc1	474088035	MOSAODLUWNWLAM-UHFFFAOYSA-N	413.477	5.001	30	20	HKED	
COc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1F	474266680	QKJPYGVSALPVLB-CYBMUJFWSA-N	409.301	5.277	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	474524496	FVBQGBDSLHZOJU-QFIPXVFZSA-N	409.892	5.361	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2ccccc2Br)CC1	475506404	GXLQJMFBVPQZHD-AWEZNQCLSA-N	415.356	5.371	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	475548473	RCIQWFPUCKJMOD-FQEVSTJZSA-N	411.933	5.119	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2	476796426	QNLBRZFCTYKJPM-UHFFFAOYSA-N	404.510	5.025	30	20	HKED	
CC[C@H](c1ccccc1)N(CC)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479170177	UEYRPXPUCAWOGP-XPPIMPSXSA-N	405.542	5.431	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	480584743	XTGXGAIWOJVKDL-MDOVXXIYSA-N	417.962	5.632	30	20	HKED	
C=C(C)[C@H](NCc1coc(-c2ccc(Br)cc2)n1)c1ccc(F)c(F)c1	481618058	ZRUMUXTZBIMWDV-IBGZPJMESA-N	419.269	5.789	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1nnc(CCc2ccccc2)o1	482246976	VRRIQSXQLZEWPD-UHFFFAOYSA-N	404.514	5.028	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(F)c(F)c1	483297409	OOANBTSYBRJNHF-ICSRJNTNSA-N	413.493	5.738	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1ccccc1Cl	483338603	INUZKTUHJPWKOL-LSDHHAIUSA-N	403.935	5.181	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1	483846672	FRQPSAMNHNKYHH-SFHVURJKSA-N	405.445	5.093	30	20	HKED	
Cc1cc(Br)ccc1CC(=O)Nc1ccccc1SC[C@H](C)C#N	485626533	BYEKISAFIXQHSN-CYBMUJFWSA-N	403.345	5.191	30	20	HKED	
Cc1ccc(F)c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1Br	486463026	SASHNHWCDGTLKQ-INIZCTEOSA-N	403.295	5.189	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(OC(F)F)c1	491410741	RDUSRANQIDXDKO-HNNXBMFYSA-N	422.300	5.154	30	20	HKED	
O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(F)c(F)cc1Cl	493386484	OJQBNKNGOUWNIG-ZDUSSCGKSA-N	415.692	5.253	30	20	HKED	
CCCC[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1cc(C)on1	495469553	IIDCVQMMETVWDX-NRFANRHFSA-N	404.470	5.256	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1	499319687	NFZUGWIKNXILBN-UHFFFAOYSA-N	403.482	5.045	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F	499469220	GXCVZTDAQXZVGC-JTQLQIEISA-N	418.362	5.715	30	20	HKED	
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1OCCC(F)(F)F	500251029	MQUNXQFGOHOAQC-UHFFFAOYSA-N	409.301	5.357	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c(Cl)c1	502658992	UCUFLAZCWHULDL-FQEVSTJZSA-N	411.292	5.366	30	20	HKED	
C=CCc1cc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc(OC)c1O	503291843	NFELAOQOSHNBMP-JOCHJYFZSA-N	408.929	5.251	30	20	HKED	
C=CCCc1ccccc1NC(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1	505058711	ZFSIVCQCKFCBDU-UHFFFAOYSA-N	408.420	5.077	30	20	HKED	
CC(=O)c1ccc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	505342850	LXJJFAOROFLAMF-OAHLLOKOSA-N	407.285	5.081	30	20	HKED	
Fc1cccc(-c2nc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)co2)c1	505813108	RHQUSBSLWRQEHD-MRXNPFEDSA-N	418.312	5.893	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1	509077963	MEIFQASNAKZTDU-UHFFFAOYSA-N	423.822	5.306	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)cc1	509114868	XNFLFXMJKGEWOZ-GJZGRUSLSA-N	404.388	5.276	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)sc2C)cc1	509606450	CLZZMQCNYVDWCO-UHFFFAOYSA-N	406.507	5.643	30	20	HKED	
CN1CCC2(CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	509718198	GKPLLTRYBCYNSC-OAQYLSRUSA-N	422.960	5.088	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCCN(C2CCC2)C1	512831703	HDPPLRUDXGAXSY-AZUAARDMSA-N	418.541	5.125	30	20	HKED	
COc1ccc(CN(C)C(=O)c2ccccc2-c2ccccc2C#N)cc1OC(F)F	513025610	HYBWPZRUOXMMSZ-UHFFFAOYSA-N	422.431	5.107	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2c(F)cccc2N2CCCC2)c1	513284368	MSFXPGNJYCSDPB-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc2c(cc1Cl)OCCO2	514498911	MAQMSYCIAYZCGA-UHFFFAOYSA-N	422.893	5.386	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1	517528722	FSZRPKUNRFSLSE-INIZCTEOSA-N	414.962	5.088	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCC1	517532794	MDPWWDBGSCQUBT-HTAPYJJXSA-N	421.566	5.067	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	518320327	GRNFYOZCLGUIOJ-HXUWFJFHSA-N	404.341	5.220	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2nc3cc(Cl)cc(C)c3o2)c1C	522684522	KXRHVNZNKONHTQ-UHFFFAOYSA-N	413.930	5.445	30	20	HKED	
C[C@@H](Sc1nnc(S[C@H](C)c2ccc(C#N)cc2)s1)c1ccc(C#N)cc1	522822991	CVWFMNLJAIKJDZ-ZIAGYGMSSA-N	408.577	5.988	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4ccccc4n3C3CCCC3)cc2)nc1	524851307	ZAFJBUTVDBCWGR-UHFFFAOYSA-N	423.476	5.463	30	20	HKED	
Cc1ncc(-c2ccccc2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	536319026	DNBDHNXFQDLGAQ-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C[C@H](Oc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cn1)c1ccccc1	536617448	GAXNVAYWBGCLAW-IBGZPJMESA-N	409.489	5.023	30	20	HKED	
COc1cc(CNCc2ccc(-c3ccccc3C#N)cc2)c(SC)cc1OC	536894780	VAJSQMIXXSMAHE-UHFFFAOYSA-N	404.535	5.254	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	538110977	SFNDYBRKEBOYQY-MRXNPFEDSA-N	405.448	5.406	30	20	HKED	
N#C[C@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nc2cc(Cl)ccc2s1	539146965	XCPYPLRVJBGEOF-CQSZACIVSA-N	406.854	5.022	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1	540252097	KJIQJJHVZGZMIP-DHIUTWEWSA-N	420.871	5.278	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1nc2ccccc2[nH]1	540946909	PWTBIGCETMTPFF-LJQANCHMSA-N	406.420	5.407	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1	541516019	ADKBNXFHMOKHTE-LJQANCHMSA-N	402.325	5.418	30	20	HKED	
Fc1ccc2oc(CN[C@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)nc2c1	542943424	MWLZZXYCSKGFAS-OAHLLOKOSA-N	408.273	5.259	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1SCc1ccc(CC#N)cc1	543142102	DTEQCDQULGCEET-UHFFFAOYSA-N	406.555	5.262	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)s2)cc1	543516663	KHWZBUUIVIJRFE-GOEBONIOSA-N	422.554	5.186	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCc3nnc(-c4cccc(C#N)c4)o3)s2)cc1	543519979	ZSZLUOBZAQNWFI-HNNXBMFYSA-N	415.522	5.199	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(C(F)F)c2Cl)c1	544470442	GVUBBLTZEPJNAL-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
Cc1ccc(-c2nc(Cc3noc([C@H](C)Oc4ccc(C#N)cc4)n3)cs2)cc1	547024306	PGLVIKYUALMJFT-HNNXBMFYSA-N	402.479	5.104	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)CC2)cc1	549617280	KQJIKGFJAGNWIT-HSZRJFAPSA-N	413.487	5.282	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CCC(=O)c3ccccc32)c1	551587182	ZWLHFGUZBTWWPQ-HSZRJFAPSA-N	414.892	5.505	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)c(F)c1	552327414	UHOSHVGQZPVIMD-UHFFFAOYSA-N	419.422	5.047	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)c1	552365758	RXJXCMCUZKNQKX-UHFFFAOYSA-N	412.921	5.232	30	20	HKED	
CCCn1ccc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc21	554255025	HTKPLSXRMGGNHM-UHFFFAOYSA-N	420.488	5.137	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c1	562854510	ZHYCPEWQALVCHE-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(C(F)(F)F)c1	569797390	MOQPBOOTBZEKFJ-UHFFFAOYSA-N	405.420	5.276	30	20	HKED	
C[C@H](Sc1cccc(F)c1C#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	572218254	IKODCKISRXTGJS-VIFPVBQESA-N	402.800	5.489	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C#N)c2ccccc2n1	582451143	WEWOVTYSPAFTPB-UHFFFAOYSA-N	406.467	5.159	30	20	HKED	
O=C(CNc1ccc(C(F)(F)C(F)(F)F)cc1)Nc1ccccc1C(F)(F)F	591808242	RPCIRCOFYHHRRC-UHFFFAOYSA-N	412.280	5.410	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ncc(-c2ccccc2)o1	604362999	FKJDNOCTKDCZMS-UHFFFAOYSA-N	424.460	5.636	30	20	HKED	
Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c2c(C(C)C)noc2n1	604449779	NEHJYUFSTGVYEI-UHFFFAOYSA-N	402.479	5.507	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1NC(=O)CC(C)C	608553112	SJGLKAQZZOMTON-MRXNPFEDSA-N	409.486	5.219	30	20	HKED	
Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(OCC(F)(F)F)c1	608916350	YHKRKLGGLHIHOM-UHFFFAOYSA-N	405.420	5.250	30	20	HKED	
C[S@@](=O)Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	609164382	MGHZOUUMXBFKQN-KCWXNJEJSA-N	422.937	5.126	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1cc2ccccc2o1	609436738	DHXPJQBYZVTILL-ZWKOTPCHSA-N	421.566	6.832	30	20	HKED	
COc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)cc1	610090086	LTEBAMBTYABTQB-QMHKHESXSA-N	419.912	5.370	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(OCc2ccccc2)cc1	610239833	NKXSZTSENIWMHK-NRFANRHFSA-N	400.409	5.146	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCC1	610557743	DFHAATIEISMXJJ-NRFANRHFSA-N	411.933	5.418	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H](C[C@H]2CCOC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	611854998	HFFRYPBTNIYPGV-KSEOMHKRSA-N	417.553	5.134	30	20	HKED	
C[C@@H](NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc(C#N)c1	613372713	DLFHZIXJNCQWLC-AUUYWEPGSA-N	420.513	5.259	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1)C2	619816503	YAYQZDQTPLQJGI-CCDWMCETSA-N	422.016	5.845	30	20	HKED	
O=C(Nc1ccc(F)c(Cl)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642398227	DXXZEGWGYWTPLB-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
O=C(NC[C@@H]1CCCC(F)(F)C1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	669664686	GOOVCTXKSLYTPZ-VWYCJHECSA-N	410.349	5.021	30	20	HKED	
CCOc1ccc(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)cc1OCC	725830728	CZORYPZVFFUVKT-UHFFFAOYSA-N	418.419	5.282	30	20	HKED	
COCCCCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	728269236	FGXZTQDVVRXZEK-UHFFFAOYSA-N	415.537	5.035	30	20	HKED	
Cc1nc(/C=C\c2cccnc2Cl)sc1C(=O)/C=C\c1cccnc1Cl	728698570	LANKPOLAKAURSK-VRHVFUOLSA-N	402.306	5.615	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@@H](C)c2csc3ccccc23)cc(OC)c1OC	730030558	PRYBXUNZILJOJZ-HNNXBMFYSA-N	410.539	5.207	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12	730920363	LFAUYJLZIZAPCU-KMDXXIMOSA-N	410.517	5.416	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1-c1ccc(F)cc1	731025896	PXKDUKACRVNKQN-OAHLLOKOSA-N	407.514	5.737	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OC(F)F)c(Cl)c2)cc1	731489822	NNFQFOOSFKLKIJ-YCRREMRBSA-N	408.832	5.367	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccsc1	732038295	IEGLOQJMHQXGQY-LJQANCHMSA-N	412.511	5.216	30	20	HKED	
N#C[C@H](C(=O)CC[C@@H]1CCCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1	732495545	CHOQCHGNGGOSFY-DZGCQCFKSA-N	409.338	5.642	30	20	HKED	
CC[C@@H](NC(=S)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccs1	734374668	BCGJOECPJOEGIQ-GOSISDBHSA-N	423.563	5.858	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)c1ccncc1	734458653	CHJZNJFMCJBGHN-LJQANCHMSA-N	422.941	5.491	30	20	HKED	
C=CC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccncc1	735055768	PEOKJPADYXFLMA-OAQYLSRUSA-N	403.869	5.446	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1	739423728	CBPMZNPNOHPLAU-ZRDIBKRKSA-N	420.852	5.705	30	20	HKED	
Cc1cc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c(C)n1-c1ccc(C#N)cc1	739778794	JOCKLFGAMPOJPB-QGZVFWFLSA-N	410.477	5.112	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1	740534949	JOAMIFQOPQJDCI-XOBRGWDASA-N	407.901	5.225	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccnc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	741111333	KQFNHHGLEDQCIW-QPGLYAHGSA-N	415.905	5.901	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	741643492	CLHWKGITAXOGQO-UHFFFAOYSA-N	422.403	5.038	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cnc(C(C)(C)C)s3)n2)cc1	744032636	UXNRGSACDRJSOE-OAGJVSPASA-N	407.564	5.762	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1	745112982	XOHUDEVJMNEADA-UHFFFAOYSA-N	405.479	5.024	30	20	HKED	
CN(C)[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1c(F)cccc1Cl	746125194	DHEZRMLDDNDJPI-CVDCTZTESA-N	421.903	5.376	30	20	HKED	
Cc1cc(-c2cc(C(=O)O[C@@H](C)c3ccc(C#N)cc3)c3c(C)noc3n2)c(C)o1	748680036	NKRQUPFQJFSVPY-AWEZNQCLSA-N	401.422	5.198	30	20	HKED	
CC[C@@H](C)n1c(SCC(=O)O[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1	748684332	KKGPTVJZVFOVQZ-IAGOWNOFSA-N	420.538	5.184	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1ccccc1-c1ccccc1	750988732	AAUVNEPIFHYBOC-UHFFFAOYSA-N	422.513	6.221	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)ccc1OC(C)C	758411502	XIARMGMLNPQCQJ-KRWDZBQOSA-N	409.486	5.261	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C(C)=C/c1cccc(Cl)c1	759206287	LVANCXMIGVWPOZ-ROCHPLJESA-N	417.292	5.061	30	20	HKED	
CCCCCCOCc1cccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1	761843779	UZUCCSIKAXGVSJ-DEOSSOPVSA-N	421.541	5.261	30	20	HKED	
CSc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1F	766623534	SNLNUHDEYVKXKT-QGZVFWFLSA-N	420.465	5.301	30	20	HKED	
C=C(Cl)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1	769775466	XPVOYMGSOKBDPG-UHFFFAOYSA-N	410.724	5.194	30	20	HKED	
N#Cc1ccc(CNN=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	769820569	ICWCGFYAKDUMSR-UHFFFAOYSA-N	423.303	5.241	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)NC3(CCCCCC3)C2=O)cc1Cl	771820290	SNIKOHFCXZTCCO-IBGZPJMESA-N	407.901	5.145	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1C(=O)N(CC)CC	775556766	ARUYZAFUWYRDDC-UHFFFAOYSA-N	405.951	5.104	30	20	HKED	
C#CCCCCCC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	779946249	BWGCGFHMDHGNOH-UHFFFAOYSA-N	404.297	5.163	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3O[C@@H](C)C#N)o2)cc1	780167348	WMPWPLPTTQTCRW-SFHVURJKSA-N	423.472	5.860	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	780677138	HDSVCOAZFVTJNH-SCLBCKFNSA-N	404.297	5.653	30	20	HKED	
CN(C(=O)/C=C/c1cncc(F)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783530807	CMIOPEAYYKQXGX-JFDDCEBESA-N	406.301	5.015	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	789450798	RAEDWWCWHRTCEV-FXAWDEMLSA-N	415.578	5.306	30	20	HKED	
CC(C)[C@@](C)(NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(Br)cc1	790994716	CPVKYAJXWOFBEK-HRAATJIYSA-N	401.348	5.401	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3CC(c4ccc(F)cc4)C3)n2)cc1	796776372	WJUAVZKFEDAJEG-LBXVMSDZSA-N	406.482	5.328	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccco2)n(CC=C)c1=S	798178603	NJPGNIWMGVJDCS-UHFFFAOYSA-N	406.964	5.221	30	20	HKED	
N#CC1(CCCOC(=O)c2cc3ccccc3n2Cc2ccccc2F)CCOCC1	800140164	JQAPLOBVVZHFKD-UHFFFAOYSA-N	420.484	5.086	30	20	HKED	
O=C(Nc1ccc2nc(C(F)F)sc2c1)c1cc(F)c(C(F)(F)F)cc1F	805149910	FJKPTBNGNDWPKB-UHFFFAOYSA-N	408.298	5.783	30	20	HKED	
C#C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(Cl)cc1	810474872	XRZVAGROPOMKQV-NRFANRHFSA-N	416.868	5.185	30	20	HKED	
Cc1sc(C2(NCc3ccc(OCC#N)cc3)CCC2)nc1-c1ccccc1F	815302631	ZVCLOKICJXVIDD-UHFFFAOYSA-N	407.514	5.329	30	20	HKED	
CCCCCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1	831825292	NRWDUOXLGBDDGC-QHCPKHFHSA-N	401.572	5.600	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2ccccc2c1Cl	915055239	CUDSUYSVVCXJON-UHFFFAOYSA-N	419.893	6.174	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1	915086076	GCDIRCDMZGSBLP-HXUWFJFHSA-N	414.490	5.025	30	20	HKED	
CC(C)Oc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1	916489583	SXDLCHNUKURBAO-UHFFFAOYSA-N	402.519	5.427	30	20	HKED	
N#Cc1ccc(CCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1	917030148	GDGDPTMXDRHQIJ-OOTRUBSTSA-N	415.562	5.292	30	20	HKED	
COc1cc(OC)cc(Oc2ccc(/C=C\C(=O)c3ccc(OCC#N)cc3)cc2)c1	920864310	RORDUCBVHBELBX-XGICHPGQSA-N	415.445	5.295	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1	1791248212	VOTGSINJIZELNY-CQSZACIVSA-N	420.431	5.258	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](F)c3ccccc3)CCC2)cc1	1791726404	SZYGUQCUUNQROL-HSZRJFAPSA-N	406.501	5.025	30	20	HKED	
CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1	1792123244	PEKOBMXYVJQXLE-OALUTQOASA-N	417.553	5.498	30	20	HKED	
C=C1CC(C(=O)N2CCCC3(CCN(C(=O)CCCCCC(C)(C)C)CC3)C2)C1	1804788462	PVORDYIYBFIHRS-UHFFFAOYSA-N	402.623	5.180	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2F)CC1	1829878526	LWPVDQGSUIIVJU-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N(C)C2CCCCC2)nnc1-c1ccc(Cl)cc1	6087421	NABRIDGIASHNGZ-OAHLLOKOSA-N	418.994	5.056	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccco1	11309219	LJPOMYODMCETRX-NSHDSACASA-N	423.325	5.150	30	20	HKED	
C=CCn1c(SCc2cccnc2)nc2scc(-c3ccc(C)cc3)c2c1=O	27764804	PWOMVEBUOGZBFC-UHFFFAOYSA-N	405.548	5.307	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccoc1C	32559535	CZHWHPLDKPXIQO-XLIONFOSSA-N	424.570	5.171	30	20	HKED	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2sc(C)c(C)c2C#N)cc1	33150893	YLUPYADOAFNCIW-UHFFFAOYSA-N	423.450	5.198	30	20	HKED	
N#Cc1ccc(Oc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)c(Cl)c1	60858484	QNGNTIYASPBUQD-UHFFFAOYSA-N	419.897	5.344	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(Br)s3)c2)c1	60973649	IXGWTCOQBMYAFD-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12	72087510	KAURUAHQJPORFZ-UHFFFAOYSA-N	410.477	5.019	30	20	HKED	
C=CCc1cc(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)cc(OC)c1OC	105271232	YQYFMROGRFEHEP-ZDUSSCGKSA-N	416.424	5.095	30	20	HKED	
Cc1cc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)n(CCC#N)n1	109345786	ADOPJHBWOGNNOT-QFIPXVFZSA-N	424.957	5.220	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(F)cc3)s2)ccc1OC	237021148	KNVDNFZKHGODKD-IBGZPJMESA-N	410.514	5.534	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	248024287	VRFXHQDCSNSJGR-UHFFFAOYSA-N	421.349	5.857	30	20	HKED	
C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	261477101	YCDGHLBCQYXWBK-GJZGRUSLSA-N	411.962	5.268	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CSCc2ccc(C#N)cc2)c1	303232265	YDIUXKFPZGEEEQ-UHFFFAOYSA-N	402.544	5.068	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccccc1	303622766	PRNBHVFGEPLSRU-SFHVURJKSA-N	402.519	5.048	30	20	HKED	
C[C@@H](C1CC1)n1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1	429625715	KYLDQHAUXGSURF-KRWDZBQOSA-N	417.488	5.099	30	20	HKED	
COc1ccc(CCN(Cc2ccccc2)C(=O)c2cccc(SCC#N)c2)cc1	429779664	ODVPTNGORYERHO-UHFFFAOYSA-N	416.546	5.196	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(NC(=O)c3cccs3)cc2)s1	430614588	ZLNQUSZGPNSRQU-HNNXBMFYSA-N	409.536	5.244	30	20	HKED	
C[C@]12CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]1C2(F)F	432476177	MAFFBSIBNTVYGJ-AAEUAGOBSA-N	402.285	5.233	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2)cc1	435362990	KYOJMCCTVHVLNB-UHFFFAOYSA-N	412.489	5.210	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)o1	438502237	OCKCUBUAJBIGFH-VXKWHMMOSA-N	414.509	5.769	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1F	438655893	MBJPWYRCNCKZGB-HXUWFJFHSA-N	419.456	6.232	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)cc1C#N	439145990	KPAPYIPUEAQBGZ-CQSZACIVSA-N	421.547	5.486	30	20	HKED	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1	439297692	REONGPVSOTWFNV-HSZRJFAPSA-N	418.541	5.034	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C#N)c1	440083657	UDRKXRTZPHMOHO-HZPDHXFCSA-N	404.436	5.004	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1)c1ccccc1	440236285	FSKXCOAPLUXDJU-NHCUHLMSSA-N	415.497	5.018	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc2cc(Cl)ccc2s1	442667737	AAXWDDNACNIZHW-GOSISDBHSA-N	419.893	5.414	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc12	442672109	NBQBDKFTFLOHFM-OAHLLOKOSA-N	406.536	5.372	30	20	HKED	
C=CCn1c(SCc2cncc(OCc3ccccc3)c2)nnc1-c1ccoc1C	447114734	UEWFVQSLDQITEM-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C	462238498	WNVULJUNKGQMNI-QGZVFWFLSA-N	413.562	5.459	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)oc2ccc(Br)cc12	464400301	HECGKNVCGYUMEW-ZDUSSCGKSA-N	423.188	5.408	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464422462	QKFKKJXUFINXCD-CQSZACIVSA-N	419.790	5.043	30	20	HKED	
COc1cccc(-c2nc(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)c1OC	464820636	XIXJNGUUZRXHKL-RTWAWAEBSA-N	419.550	5.099	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(COc3ccccc3C#N)o2)o1	464896962	UWYIZWLUCDXFLO-JXFKEZNVSA-N	404.466	5.245	30	20	HKED	
CC[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1OC(F)F	465588094	DMCSYAVJQDPVCT-AABGKKOBSA-N	413.468	5.220	30	20	HKED	
C[C@@H](C#N)C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1	468567542	UNRMEJQWPUUYBW-ZDUSSCGKSA-N	414.349	5.413	30	20	HKED	
CC(C)(C)OC1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1	468970396	JDTYSZCHRCSKOS-UHFFFAOYSA-N	412.917	5.424	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(CCC#N)Cc1ccco1	469742802	QJLHIJLYBQHFBU-UHFFFAOYSA-N	417.469	5.180	30	20	HKED	
COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2cn(CCCC#N)c3ccccc23)c1	469775393	LOEAZTXFURSXER-MHECFPHRSA-N	401.510	5.177	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NCc2nnc(-c3cccc(C#N)c3)o2)c1	471680509	UWHPYDWMEAKZMO-UHFFFAOYSA-N	404.417	5.183	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F	475571132	DVXANTFJECOHSF-LJQANCHMSA-N	408.468	5.314	30	20	HKED	
Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccccc1Sc1ccccc1C#N	476201806	OUZUYXJKDKEGJN-HXUWFJFHSA-N	400.503	5.190	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)c1ccccc1	476665903	IHDJKQKMKRBWIJ-FCHUYYIVSA-N	414.509	5.268	30	20	HKED	
CC(C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CCOCC1	479400978	UTILWFYVQLZDAG-UHFFFAOYSA-N	412.917	5.182	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2nc(C)ccc2c1	479405676	HVXFYTOGDJTOIQ-KRWDZBQOSA-N	405.523	5.263	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]1c1ccccc1	480311752	CKMVWQNZOWNMSG-CLOONOSVSA-N	411.505	5.557	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cc1	480848446	WVICQJCWOOWOLN-XMSQKQJNSA-N	421.541	5.407	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cnn1-c1ccccc1Cl	482552035	DWSBAMAOKWFEDV-CQSZACIVSA-N	404.857	5.280	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)N(CCC(F)(F)F)Cc1ccccc1	483701356	MBCMLGJWFQEFKT-UHFFFAOYSA-N	408.317	5.831	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(Cl)c2Br)C2CC2)cc1	485206556	KHZHKOBFXDPUHQ-UHFFFAOYSA-N	404.695	5.171	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1	487366738	QQKRRZHMJFNKRF-JOCHJYFZSA-N	407.945	5.089	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4ccccc4F)o3)s2)cc1	487415140	DFQUNOXPBXANAM-UHFFFAOYSA-N	403.438	5.257	30	20	HKED	
N#Cc1ccc(NCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1C(F)(F)F	489705774	RNCORFCTCLCOOC-UHFFFAOYSA-N	413.186	5.546	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	493213506	DWOQYDLFKLGFPO-UHFFFAOYSA-N	407.495	5.097	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1OCC(F)F	497535293	IAKBWUIJGDFRAP-UHFFFAOYSA-N	407.848	5.298	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1nc2ccccc2s1	497704846	LAWJEXGRKNDWJC-UHFFFAOYSA-N	415.543	5.292	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1OC	499955063	KKMZVBLVLMEDEZ-KRWDZBQOSA-N	407.297	5.176	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCC(F)(F)C2)cc1	502162067	LBZLYQJAINCRKN-SFHVURJKSA-N	413.468	5.279	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c12	504347189	IDGQCCPBWOLJQO-UHFFFAOYSA-N	409.489	5.303	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1	505958913	BZELLOYJAKTZHY-PRHODGIISA-N	418.143	5.302	30	20	HKED	
Cc1cccc(C2(NCC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCC2)c1	506451052	AIVKGQQQLCDLFD-IBGZPJMESA-N	407.583	5.387	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1	506843701	NENBULXPHBIQSS-UHFFFAOYSA-N	411.355	5.093	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1	508275627	QGPVINWNGZUBAV-LEWJYISDSA-N	401.514	5.026	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccccc2C)cc1	508291425	XHLDDEYBKAGWDZ-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1	510861084	WACSUBLVDNUIOW-UHFFFAOYSA-N	402.498	5.158	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1CCC[C@H](C(F)(F)F)C1	511701731	LLLWSDCCMIRTHX-GMXVVIOVSA-N	419.312	5.376	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(O)nc4cc(F)ccc34)c2C#N)C1	515333897	GVSCUTTYQRSZDS-LBPRGKRZSA-N	423.513	5.416	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Oc4cccnc4)cc3)s2)cc1	516363356	MDSWEIFKWDWSGV-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	517168435	BQSRHPKFGZEFGR-LJQANCHMSA-N	413.521	6.222	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1cccnc1	518681689	FSTWVRISKRFMQR-VGSWGCGISA-N	402.523	5.244	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1	519063930	JTUQVDRSLGQVRA-UHFFFAOYSA-N	410.949	5.644	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	520197469	DZJULKIAHMWVMO-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
Cc1cc(Cl)ccc1OCCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N	521259992	SVRXKYAAKFZLPY-HNNXBMFYSA-N	417.962	5.491	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(F)ccc3Br)cc2)c1	521792120	JZKZWRKBBSKVHV-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
Cc1cc(C)c(C#N)c(SCc2ncc(-c3cccc(Br)c3)o2)n1	525109488	KNZVHDUFSJYBOX-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
COC(=O)c1ccccc1N(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534873857	QXYAREXQDRJAMC-UHFFFAOYSA-N	420.852	5.067	30	20	HKED	
CC(C)C[C@@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	536080275	PEDNZZRZXMVJJF-QFIPXVFZSA-N	409.580	5.526	30	20	HKED	
N#CCC[C@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)c1ccccc1	537354645	AUAJFXKMOGQYJG-INIZCTEOSA-N	411.221	5.243	30	20	HKED	
CC(C)C(=O)Nc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1	540280972	KQCFMZVANUXSRZ-UHFFFAOYSA-N	412.493	5.141	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1ccccc1Cl	540639228	GKCNDPHBNACSPP-CQSZACIVSA-N	410.930	5.338	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541075499	CWTPAJSTUTZCBT-RBUKOAKNSA-N	413.521	5.302	30	20	HKED	
N#Cc1cc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)ccc1Cl	541271698	ATVRWOVEAZOPHB-LJQANCHMSA-N	406.873	5.019	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	543320875	RYQOAXMABOVQQU-WOJBJXKFSA-N	402.523	5.422	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N[C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)s2)cc1	543516670	KHWZBUUIVIJRFE-ZBFHGGJFSA-N	422.554	5.186	30	20	HKED	
Cc1cccc2c(Cc3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)c[nH]c12	545720501	YDLQUENDOSFHOW-UHFFFAOYSA-N	407.433	5.176	30	20	HKED	
C=C[C@H](CC(=O)N1CCC(Oc2cccc(Br)c2)CC1)c1ccccc1	546813079	JGAUTVHPZVEJEL-QGZVFWFLSA-N	414.343	5.179	30	20	HKED	
N#C[C@H](C(=O)c1cc[nH]c1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	554321168	HHHPGYPNLIJAJU-CQSZACIVSA-N	402.306	5.812	30	20	HKED	
CCCc1c(NC(=O)N(C)c2ccc(SC)cc2)cnn1-c1cccc(C#N)c1	574710218	YEIDDYQRSQNHKM-UHFFFAOYSA-N	405.527	5.087	30	20	HKED	
C[C@H](c1ccc(F)cc1)N1CC[C@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C1=O	584160397	IKQLWXYJTNUCNY-XIKOKIGWSA-N	408.420	5.170	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)cc1	603740071	PIZZALVFBXHZID-VWLOTQADSA-N	416.546	5.096	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603828922	DUAPUYZVAHNDAH-CQSZACIVSA-N	408.408	5.249	30	20	HKED	
C[C@H](Nc1ccccc1COCc1ccccc1)C(=O)N(CCC#N)c1ccccc1	603955028	LVMMBVSEKNYEJJ-NRFANRHFSA-N	413.521	5.151	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](C)c1ccccc1OC	603956978	WURBKQBTPKCTTF-GOSISDBHSA-N	418.493	5.352	30	20	HKED	
CCc1cc(C#N)c(NC(=O)CCOc2ccc(Cl)cc2Br)s1	604470144	XEGKKJKQMADPNN-UHFFFAOYSA-N	413.724	5.006	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)N[C@H](C#N)Cc2ccccc2)cc1OC	604474085	DBWXDNKLRDGPPO-BJKOFHAPSA-N	400.522	5.021	30	20	HKED	
N#C[C@@H](NC(=O)CCSc1ccccc1F)c1ccc(OCc2ccccc2)cc1	609173396	QOLMKCQBGUJSRI-JOCHJYFZSA-N	420.509	5.268	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSc2ccccn2)c1	609207996	ZZGTXOLYNXSUNI-UHFFFAOYSA-N	416.550	5.690	30	20	HKED	
COc1ccc2cc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2c1	609398401	YKOXAQBSPKEQCQ-INIZCTEOSA-N	405.523	5.422	30	20	HKED	
C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)Cc2ccccc2F)c1	609500765	VVBTYNLBGGPDOU-HNNXBMFYSA-N	407.876	5.705	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1	609729814	UQYMDGAOGKSHDS-UHFFFAOYSA-N	414.852	5.646	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCC1	610557744	DFHAATIEISMXJJ-OAQYLSRUSA-N	411.933	5.418	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	611548687	FAWLFODIFFAKQN-UKRRQHHQSA-N	406.379	5.293	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	642281362	CUKXGRZLAGGYPG-GOSISDBHSA-N	415.543	5.656	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1	642501763	NYULBYAKYOPTJM-BGYRXZFFSA-N	405.542	5.025	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N(C)[C@H](C)c1cc2ccccc2o1	685558002	DQVNSNRYBUNQTJ-GOSISDBHSA-N	402.498	5.125	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1ccc(C(C)(C)C)cc1	727628145	SHWPSEVOPPEMEM-HSZRJFAPSA-N	418.581	5.779	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1	727981172	DWTPWWZHCBLZNT-MRXNPFEDSA-N	421.953	6.469	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	729069307	IBOKMYAICMJZHH-KNQAVFIVSA-N	412.489	5.710	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F	731348994	FQUIZZUCXVPVFY-PLSXKVAHSA-N	406.429	5.631	30	20	HKED	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1F	731400895	XHFGAUAZPVRDRY-MRXNPFEDSA-N	414.550	5.388	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=S)Nc2c(C)cc(C)cc2Cl)ccc1OC	733208492	CEXWVTXCWYUGQX-MRXNPFEDSA-N	417.962	5.133	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1O	734366269	LAPJRQXCLNRQSM-MUUNZHRXSA-N	414.870	5.012	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc2ccccc2s1	734995781	TYYODEBGBLSSSN-UHFFFAOYSA-N	419.893	5.890	30	20	HKED	
C=CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(F)cc1	735616177	ZFFABLYNHYWGSW-UHFFFAOYSA-N	401.367	5.089	30	20	HKED	
Cc1c(C#N)c(NC(=O)CS[C@H](C)c2cccs2)n(Cc2ccccc2)c1C	737404505	DYINIAPLGDQBKU-QGZVFWFLSA-N	409.580	5.519	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccn1	742649272	LUEJUHZTXSMXIZ-QGZVFWFLSA-N	403.507	5.165	30	20	HKED	
O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CCc2nc(-c3ccccc3)sc21	743058455	ZUUBFZAVBVVKTK-NBVRZTHBSA-N	411.486	5.605	30	20	HKED	
Cc1csc(Sc2c(Cl)cccc2NC(=O)c2ccccc2OCC#N)n1	751122325	PUNTZWFEGFWPHE-UHFFFAOYSA-N	415.927	5.411	30	20	HKED	
COc1cccc(/C(C)=C/C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	751835962	XCVAPXUPDFMGNF-WQMJKPAKSA-N	410.445	5.377	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc2ccc(Cl)cc12	752813921	FRQDIIOKVIPGAN-UHFFFAOYSA-N	405.910	5.233	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1OC(F)F	753411947	GVQUGNUHBWSMGE-KOTGUFOOSA-N	402.397	5.317	30	20	HKED	
C/C(=C/c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	759204526	AYNLRQZSHQATEG-LUJNMSEFSA-N	420.868	5.406	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2nnc(-c3ccccc3Cl)s2)ccc1OC	760539254	CNWXMKRKBURDAZ-AWEZNQCLSA-N	414.918	5.160	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1	760795975	KVBALDDTMKDDBT-UHFFFAOYSA-N	424.859	5.142	30	20	HKED	
C[C@H](OC(=O)/C=C\c1ccccc1C#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761061373	XOZZMCZVPXKUJU-UPZNUWHASA-N	414.248	5.233	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC[C@H](C)c2cccc(Br)c2)ccc1OC	767382361	IDDVDXRWOKUIDH-HNAYVOBHSA-N	417.347	5.032	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)nc2ccccc21	769773509	LWBVIIHMNWUXRR-QTNMRXCUSA-N	403.791	5.049	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2c(F)cccc2Cl)cs1	769828426	FJDPEKXYIUUDMG-UHFFFAOYSA-N	402.882	5.375	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(N(CC)C(C)C)cc1	770098403	GHTSUIUVFRAQDN-JOCHJYFZSA-N	405.542	5.007	30	20	HKED	
N#CCOc1ccc(CN[C@H](CCSc2ccccc2)c2ccc(F)cc2)cc1	772960551	SXOTUPGGRLZGTP-XMMPIXPASA-N	406.526	5.741	30	20	HKED	
CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCO1	778256553	NCPTYQMJGRWDIR-SGNDLWITSA-N	405.542	5.447	30	20	HKED	
C=CC[C@H](C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1	778428821	UMMASBBEBUVPIN-FQEVSTJZSA-N	420.534	5.036	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cn1	779019054	CZBHVVRIMLVCQI-QFIPXVFZSA-N	414.509	5.236	30	20	HKED	
C#CCCCCCC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	779925434	HUULVRHEQSVCAC-XMMPIXPASA-N	423.601	5.285	30	20	HKED	
CCc1cnc(/C=C\c2nc(C)c(C(=O)/C=C/c3ncc(CC)s3)s2)s1	783705153	HVGKJHJKJXUPLT-MUIOLIGRSA-N	401.582	5.556	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1	789450803	RBDNNYUKVZVGGZ-DEOSSOPVSA-N	415.578	5.353	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	795335007	SRNXTABJFOHEGA-PBHICJAKSA-N	400.309	5.329	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1cccc(C(=O)c2ccccc2)c1	797568920	XXRVNAFMEDQUJW-OXQOHEQNSA-N	416.546	5.652	30	20	HKED	
N#CCc1cccc(C(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c1	804576573	NAAPGPFNIRCHQJ-KRWDZBQOSA-N	406.700	5.075	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)ncc1Br	810371376	YWBZPENCIVEBIL-JTQLQIEISA-N	410.724	5.144	30	20	HKED	
C=CCCCN(C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	812582114	REUMSNROQJFIFC-SFHVURJKSA-N	417.550	5.243	30	20	HKED	
Cc1cc(C)c(N2C(=O)/C(=C/c3ccc(OCC#N)cc3)SC2=S)c(Cl)c1	814296703	FRDYZZWQVOTAMT-BOPFTXTBSA-N	414.939	5.265	30	20	HKED	
C=CCc1cc(CN[C@@H]2CCc3sc(Br)cc32)cc(OC)c1OC	815592130	ZUJCQEYLBFODJD-OAHLLOKOSA-N	408.361	5.033	30	20	HKED	
C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915359370	QVYWAEBRFFDHBC-JTSKRJEESA-N	403.913	5.748	30	20	HKED	
COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccs3)cc2OC)cc1	916137332	VBYSMOIAYKAXRX-YRNVUSSQSA-N	408.475	5.018	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2c(s1)-c1ccccc1OC2	916916555	VWIZNQUESFXATN-IBGZPJMESA-N	424.481	5.422	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2cccc(F)c12	916927217	GDSKYLJDXKZUSO-NSHDSACASA-N	421.280	5.617	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1	917769770	VDSHKQXZGPLTBG-UHFFFAOYSA-N	403.432	5.356	30	20	HKED	
C=CCn1c(SCc2cc(Cl)nc(Cl)c2)nc2cc(Cl)ccc2c1=O	918750653	REYRPKJUPNYBAS-UHFFFAOYSA-N	412.729	5.230	30	20	HKED	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1	918775587	PYMXYCFMPPPWBQ-OAQYLSRUSA-N	410.857	5.013	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1	920803988	ICZHLXPQVVIZSL-DEBLGDTFSA-N	400.837	5.631	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCCOCc3ccccc3)cc2)cc1	921117790	CZXSDRCNYQPVAY-UHFFFAOYSA-N	401.466	5.079	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1	1785800015	KAWAWRVASVGMGY-QGZVFWFLSA-N	418.528	5.548	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCOCC=C)cc2)CCC1	1786365388	GXTYQIAOGFPWNI-UHFFFAOYSA-N	412.574	5.096	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1	1791247859	KCUGNYPXVNSJAW-KRWDZBQOSA-N	415.537	5.436	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccccc2)[nH]n1	1819553335	BEXRSAKVJMTBID-OAQYLSRUSA-N	422.573	5.027	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccc(Br)c3)o2)cc1	7434061	PBYJWCJKZCGQAX-MRXNPFEDSA-N	400.301	5.035	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(O)c2)c1	10172508	NEORAFSCDZYYLV-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1c(C)cccc1C	11153159	GNNUXAZOHQELSZ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
Cc1cc(CN(C)C/C(O)=N/c2nc(-c3ccc(Cl)c(Cl)c3)cs2)no1	29728255	MCXIPTHLLHZZPV-UHFFFAOYSA-N	411.314	5.133	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCCC[C@H]2c2ccncc2)ccc1OCC(F)(F)F	46033294	NHKPWKSNYBLEPG-SFHVURJKSA-N	418.419	5.044	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	57375264	DLNMSOZUFUYSBY-UHFFFAOYSA-N	416.264	5.480	30	20	HKED	
CCOc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1	63641636	QFRONZXQGWJGMU-QGZVFWFLSA-N	401.466	5.188	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1	64693155	ZDFHHENIPWYBIO-ZDUSSCGKSA-N	413.518	5.121	30	20	HKED	
Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c(C)n1-c1ccc(C(C)C)cc1	72087479	JXSFEOYXGKZXFU-UHFFFAOYSA-N	416.525	5.547	30	20	HKED	
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	143530685	ADLUUGMBIUAKGR-UHFFFAOYSA-N	415.284	5.114	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2cccs2)n[nH]1	303131948	CANJLFZPMFSSMP-UHFFFAOYSA-N	414.490	5.150	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1	410345399	PGRODMJBVLYWNT-QGZVFWFLSA-N	403.448	5.074	30	20	HKED	
C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1	429348171	WCFFLTYHTTZXTG-CQSZACIVSA-N	405.433	5.301	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc(C(F)(F)F)c1F	429940091	BHUGDQKGYDJUFS-UHFFFAOYSA-N	415.236	5.300	30	20	HKED	
CC1CCN([C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c2cccs2)CC1	431726053	FOMVPUAQKHAHJS-VXKWHMMOSA-N	424.614	5.255	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)n1	432918010	NDIUXTUAYPHQQW-HXUWFJFHSA-N	422.579	6.159	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c1	433747311	LKDVMLRFVFQJFP-UHFFFAOYSA-N	424.407	5.479	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1C	437230670	YXRKNMKBJCRUIE-RBBKRZOGSA-N	418.928	5.020	30	20	HKED	
N#Cc1cc(F)ccc1CSCc1ncc(-c2ccccc2Br)o1	437276231	SNSLWHRTWOLGHH-UHFFFAOYSA-N	403.276	5.548	30	20	HKED	
COc1cccc(C(NCc2ccc(C#N)cc2OC(F)F)c2cccc(OC)c2)c1	439564982	ZKEAWOBLYCYUDM-UHFFFAOYSA-N	424.447	5.056	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1	441631217	DSDIIQYWSLIXQU-FXKZBUDASA-N	413.587	5.140	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)[C@@H](C#N)c3cc(C)nc(C)n3)c2)c1	442649257	NWVDVSRBFJSJNS-NRFANRHFSA-N	401.535	5.493	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1	444009942	NWCKEQFJXQCJLN-MRXNPFEDSA-N	416.502	5.127	30	20	HKED	
Cc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c(OCC2CC2)c1	446856683	PNRUOJMCFCCSJD-QGZVFWFLSA-N	409.555	5.357	30	20	HKED	
N#Cc1ccc(CCC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1	460599802	QBDPRMHGVWTHBT-QHCPKHFHSA-N	410.851	5.328	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1cc(C(F)(F)F)ccn1	464479050	VVBNTSRHAIZKCJ-OAHLLOKOSA-N	417.774	5.431	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1OC	465586999	BBBSQDKJJTVAIM-NYVOZVTQSA-N	421.541	5.026	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(Oc2ccc(F)cc2F)c1	469071904	PUWXZQHCOVGHBI-FPOVZHCZSA-N	419.431	5.064	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1	473633935	ZTSLYRZJPJUEOI-UXHICEINSA-N	413.521	5.645	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	473795620	SZNNMERNCRKELA-UHFFFAOYSA-N	420.900	5.262	30	20	HKED	
COc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(F)cc2)cc1	475168946	BGYVRKWYMJFVPO-HSZRJFAPSA-N	402.469	5.155	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	475626382	WGONCSVZJNQJJY-INIZCTEOSA-N	411.571	6.348	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1	476605818	YWLMKYDKVPFCMD-FQEVSTJZSA-N	400.444	5.499	30	20	HKED	
C=CCN(C(=O)c1ocnc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	476682849	DWZPSZAMFBTPTF-UHFFFAOYSA-N	401.491	5.606	30	20	HKED	
C=CCn1c(Sc2cc(CC)nc(-c3ccncc3)n2)nnc1-c1ccccc1C	481833295	CGHMPLUUANAMJE-UHFFFAOYSA-N	414.538	5.005	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1nc2ccccc2o1	481991288	ROYRZORVVJICCT-GJZGRUSLSA-N	411.552	5.512	30	20	HKED	
Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	482496685	VMOJHNJOSYJPGH-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	483621534	JTDJNHYQGIQPCB-FCHUYYIVSA-N	409.555	5.241	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)sc2C)cc1	484155997	GFWMRXIBZRTPFZ-UHFFFAOYSA-N	403.507	5.130	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2s1	484690279	NKNPXXKDLZPJJQ-UHFFFAOYSA-N	420.881	5.569	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3cc(C(F)(F)F)ccc3Br)CC2)cc1	484792038	DHIDTJWTQJSAPQ-UHFFFAOYSA-N	409.205	5.010	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)CC1CCCCC1	484983728	AFPIJHUQLJXTIH-UHFFFAOYSA-N	401.551	5.535	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2o1	487729049	LJRXLEHNUBUCOI-GFCCVEGCSA-N	417.943	5.464	30	20	HKED	
COc1cccc(Oc2ccc(CNc3c(C#N)cnc4c(F)cc(F)cc34)cn2)c1	488209875	OGUXIWJKCCMNDA-UHFFFAOYSA-N	418.403	5.193	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1	488375274	BTGCDMLJZSOIAC-QFIPXVFZSA-N	416.496	5.695	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1	489573082	NRVPYWUQEJZTNF-UHFFFAOYSA-N	413.525	5.373	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3csc(-c4ccsc4)n3)o2)cc1	489762620	UJUNZNVLBATOOP-UHFFFAOYSA-N	413.549	5.779	30	20	HKED	
Cn1cc(C#N)cc1C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	490382295	ZVTQTQKDPUDVLV-UHFFFAOYSA-N	402.841	5.143	30	20	HKED	
COc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)cc(OC)c1C(C)C	494552148	IKKMUXGRSVQUPQ-UHFFFAOYSA-N	400.478	5.618	30	20	HKED	
N#CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	497352196	IKTBEBXVLDEPMG-UHFFFAOYSA-N	400.265	5.138	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)C1CC1	502877630	OUINPALKNKSQFU-LSDHHAIUSA-N	402.416	5.097	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1	503139668	NERLKUULZCUZFP-GFCCVEGCSA-N	415.490	5.592	30	20	HKED	
C=CCn1c(SCc2c(F)cccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	504513769	PDKCTIAPMOKQCN-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)n2)cc1	505443527	JLYOHJSWFCNDQO-AWEZNQCLSA-N	418.305	5.371	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1	507831894	UTTZSBOEZHYPKA-CQSZACIVSA-N	423.419	5.076	30	20	HKED	
COc1ccc(-c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)nc2)cc1Cl	509431380	IZTVVRKGVJYYLH-UHFFFAOYSA-N	421.859	5.092	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2ccc(F)cc2)cc1	512540150	KLYOCDGACNICOQ-UHFFFAOYSA-N	408.454	5.229	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1	513829468	CUQFOUBXQASERL-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(COc2ccccc2OC)o1	514561112	CMAPFFQAWJGUFG-UHFFFAOYSA-N	417.914	5.411	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1	517531369	CFTQVMBJFIPHNF-BEFAXECRSA-N	415.946	5.340	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1	518031200	VFHSURMKNHUNQK-GFCCVEGCSA-N	419.337	5.139	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1	518515438	GRVIBXXAGMBEOY-QFIPXVFZSA-N	421.481	5.964	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1OCC(C)C	518709017	GAHCLDREWJTFIU-INIZCTEOSA-N	407.297	5.031	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	518719850	KAKZXMLJWOQSFG-QGZVFWFLSA-N	400.444	5.067	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	519988400	QOSYQEYNGVQDOY-KRWDZBQOSA-N	401.466	5.584	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12	520168452	XTEIRYLHADRVGK-UHFFFAOYSA-N	416.443	5.353	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c1	520965741	YFAJQBYYHIXBMW-VWLOTQADSA-N	406.476	5.721	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)nc1	521092284	QOVCZYHHXXJLPV-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(CC(C)C)nc3C)n2)cc1	524393140	PZXGVLQQLJVXAZ-INIZCTEOSA-N	411.552	5.272	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Oc1ccncc1	524487351	BLNHXKXSQISCCU-KRWDZBQOSA-N	403.507	5.829	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cc2ccccc2s1	527194298	UKZPXSYJSZRCIT-JKSUJKDBSA-N	409.580	5.442	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCc3ccc(C#N)cc3)s2)cc1	527525636	HZHOTVIKBHQMAE-QGZVFWFLSA-N	404.539	5.201	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2cccnc2)s1)c1nc(-c2c(F)cccc2F)cs1	534186429	AYXQHOZNEXQKGW-LBPRGKRZSA-N	424.457	5.097	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	539147574	QKVAJORYTLNLHJ-OAHLLOKOSA-N	404.445	5.330	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1	540536816	GIBJVFIFVIMBRV-OAHLLOKOSA-N	401.310	5.197	30	20	HKED	
N#CCC1CCN(C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC1	541050604	CVOYPHQLNUEQOY-FQEVSTJZSA-N	403.309	5.266	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H](CCC#N)c1ccccc1	541067837	MQGGKTCPNBOCIW-SFHVURJKSA-N	413.399	5.444	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC1CCCC1	541353463	ANFWBEBHNIYRFK-LJQANCHMSA-N	418.518	5.630	30	20	HKED	
C=CCOc1cccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1	551616329	XMFRUPIQBCQTHO-JOCHJYFZSA-N	405.460	5.528	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccc(F)c1	554931474	DCZCNBSELDOSLD-VABKMULXSA-N	418.516	5.190	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	558342258	YEOFAMCXNLJDQL-UHFFFAOYSA-N	417.465	5.046	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3c4ccccc4CC34CCOCC4)c2)c1	563756751	SQXIPJWWJKLLPT-MHZLTWQESA-N	424.544	5.321	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1cscn1	570742515	MNNVPWJFVBJDIT-QGZVFWFLSA-N	419.554	5.240	30	20	HKED	
CC1(C(=O)Nc2cncc(Cl)c2Cl)CCN(c2ccc(Cl)cc2C#N)CC1	573040838	SOMCREQABGTVJA-UHFFFAOYSA-N	423.731	5.159	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	575902423	UJTALJBQJQBFKP-MAEOIBBWSA-N	417.431	5.935	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccccc2cc1OC(F)F	576474206	QEXAILUNUDPDNZ-CQSZACIVSA-N	412.461	6.088	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	577100255	DAUVGFLTMRQNJB-QGZVFWFLSA-N	412.518	5.806	30	20	HKED	
O=C(N1CCC[C@@H]1CF)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	578092758	DTSSKQNXNUQTGF-XDTFEOGOSA-N	415.393	5.069	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)cc2F)c1	579043238	IOLYZVNHPIRYDH-QFIPXVFZSA-N	405.473	5.073	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(Oc2ccccc2)c1	598777515	WAIHFORMRJYOLV-IBGZPJMESA-N	415.493	5.235	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	603691339	CPDMQLWPEHNZHX-KRWDZBQOSA-N	416.481	5.415	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cnn1-c1ccccc1Cl	609563181	MEHVJXBRDAGJPL-LBPRGKRZSA-N	410.930	5.144	30	20	HKED	
CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1	609773211	ZXIFEVGHNHLLEI-HKUYNNGSSA-N	413.518	5.072	30	20	HKED	
C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1ccc(C#N)cc1	609813769	PBJIDVOHHKGTHG-OAHLLOKOSA-N	409.946	5.246	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1OC1CCC1	609815480	MSBPJPSDBZIFKO-UHFFFAOYSA-N	412.489	5.629	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	609989586	MSPFTEYKHXGCBY-SJKOYZFVSA-N	414.349	5.284	30	20	HKED	
COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	610182468	VTFINFLNHFQYSV-AZGAKELHSA-N	412.489	5.014	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccn1	610335058	MKMJDTFCNSWVPH-FQEVSTJZSA-N	404.445	5.548	30	20	HKED	
C[C@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1cccc(C#N)c1	610362845	AVMQOSBCINSCBU-KRWDZBQOSA-N	417.534	5.072	30	20	HKED	
N#Cc1cc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)ccn1	610957171	ZJCFMPLCSOXYBS-UHFFFAOYSA-N	417.925	5.070	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1	610963041	AVPVBKFVEAXVFI-UHFFFAOYSA-N	418.403	5.134	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1	612372435	WOUADEIXYXDOKJ-XOBRGWDASA-N	402.951	5.168	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@](C)(C#N)C1	619834368	TYPONLQSKUJXHS-KBMIEXCESA-N	415.541	5.277	30	20	HKED	
FC(F)(F)c1ccc2oc(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)nc2c1	675885575	YSDVKROJLSDDSW-UWVGGRQHSA-N	420.275	5.409	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(F)c2)[n+]2ccc(CC)cc2)c1	726572702	KDONTCCAUSFCDP-UHFFFAOYSA-O	421.492	5.119	30	20	HKED	
N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1	727628405	KUYQLWOKXVIAMT-MRXNPFEDSA-N	416.424	5.518	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)c1nnc(-c2ccccc2)o1	728063085	VOKDGKYWSDRLSM-SFHVURJKSA-N	410.477	5.669	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1	728186269	WERBRDPJVOAXKR-UHFFFAOYSA-N	424.504	5.311	30	20	HKED	
N#Cc1ccc(F)c(COC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1	730368308	UADFAWLMHZQHDA-UHFFFAOYSA-N	414.845	5.022	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCc1nc2cc(Cl)ccc2s1	730685021	FTYBRBHOFHFFPP-OAHLLOKOSA-N	421.909	5.264	30	20	HKED	
N#C[C@H](C(=O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1)c1nc2ccccc2s1	731032842	IWYJSCCTGQDCOY-DYESRHJHSA-N	414.534	5.181	30	20	HKED	
Fc1ccc(NN=C2CCCc3nc(-c4ccccc4Br)sc32)nc1	731319089	RLVHGYYODQXZFO-UHFFFAOYSA-N	417.307	5.259	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)c1	733775369	SRNXZAWBUPGHRF-ZDUSSCGKSA-N	417.943	5.136	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c1	733803157	TUJHPPCCFOEZGB-VQIMIIECSA-N	420.538	5.051	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	734081851	UOJYXVMMHFSYBZ-QGZVFWFLSA-N	420.494	5.042	30	20	HKED	
N#CCOc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	735001865	BPDPZGWBPWTHFE-UHFFFAOYSA-N	403.825	5.159	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl	741066878	DOIIFYBCWBAMSK-BLLLJJGKSA-N	424.353	5.100	30	20	HKED	
O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CCOc2c1ccc(Cl)c2Cl	743056179	CPEUVTCGCVOELO-KAMYIIQDSA-N	413.260	5.625	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1	746524033	WYRMVJQSUABOGK-SFHVURJKSA-N	421.884	5.138	30	20	HKED	
Cc1nc(Cl)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	748537872	ISVSPSUXNFGOCJ-UHFFFAOYSA-N	418.305	5.461	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nc2ccccc2s1	751826906	YCYMEAQNHPZXGL-OAHLLOKOSA-N	423.950	5.857	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)c(C)cc2F)[n+]2cccc(C)c2)c1	753974107	IYKRJPWOKYLHJH-UHFFFAOYSA-O	421.492	5.174	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1	754876287	LARMOLQRPRGZRP-HSZRJFAPSA-N	423.903	6.310	30	20	HKED	
C/C(=C/c1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	759183956	NVVMVHPLTLEDSG-HMWXGYMHSA-N	423.925	5.209	30	20	HKED	
CC[C@@H](C)[C@@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1	763759519	XQJRLMRVEFXPTF-HOYKHHGWSA-N	402.494	5.111	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cccc(F)c1)c1nc2cc(C(F)(F)F)ccc2s1	767435685	SMIMIOLQRFGQSX-AWEZNQCLSA-N	420.387	5.294	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccncc1	768365379	VRHMPUGWPZJKTK-RTBURBONSA-N	422.529	5.338	30	20	HKED	
Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2Cl)c1	768995344	JKCOKAZJRVFLCF-QHCPKHFHSA-N	419.912	5.288	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)nc2ccccc21	769413465	RFVSXKWZCFLBMV-PZJWPPBQSA-N	402.542	5.288	30	20	HKED	
COc1ccc(-c2nc(SCC3CCC(C(F)(F)F)CC3)nc(O)c2C#N)cc1	769824403	IUILCUXVRBFTGG-UHFFFAOYSA-N	423.460	5.190	30	20	HKED	
CCN(CC)[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1cccc(C(F)(F)F)c1	780319135	MEMNQZINVDPWKD-LPHOPBHVSA-N	415.415	5.106	30	20	HKED	
Cc1ccc(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cn1	783041563	DDPMACBDYXTFIV-VWLOTQADSA-N	410.521	5.457	30	20	HKED	
N#CCOc1cccc(NC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1	786827829	RRZNTXZYRNWPFC-UHFFFAOYSA-N	423.822	5.114	30	20	HKED	
CC(C)(C)n1cc(C=NNc2ccc3c(=O)[nH]ccc3c2)c(-c2ccccc2Cl)n1	789077539	VNIFDVRXECLLON-UHFFFAOYSA-N	419.916	5.246	30	20	HKED	
C=CCn1c(SCc2ncc(Cl)nc2Cl)nnc1-c1cccc(Cl)c1	789932001	CFOVJOMLQXJDPF-UHFFFAOYSA-N	412.733	5.174	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	791144880	AFNAXLPKNCYUAH-UHFFFAOYSA-N	408.841	5.361	30	20	HKED	
N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nccc2ccccc12	792095796	MJPBMGIELLSJHM-FQEVSTJZSA-N	421.525	6.104	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)cc1	792925802	NAGMNKRFOCMTLL-QBFSEMIESA-N	402.475	5.154	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(C)c(C#N)c2)c1	799301289	RNNOQJWMPCSLCV-LJQANCHMSA-N	411.505	5.229	30	20	HKED	
N#Cc1ccc(F)c(CN[C@@H](c2ccc(F)cc2)c2ccc(Br)o2)c1	815595670	XVASVPXFLBOMGA-IBGZPJMESA-N	403.226	5.071	30	20	HKED	
C#Cc1cccc(NC(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1	915340187	JDGSIDUXXJTYJB-HSZRJFAPSA-N	409.489	5.111	30	20	HKED	
COc1ccc2c(c1)CC/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	916153280	KQRNKTOAHWKLEU-AQTBWJFISA-N	417.892	5.813	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCCOc2ccc(Cl)cc2Cl)cc1	916913192	OACZYBAVFQQXMJ-QGZVFWFLSA-N	419.308	5.062	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C3SCCS3)cc2)cc1	916948831	YFWPDWFBBNFHMT-QRWLVFNGSA-N	424.591	5.640	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1	916951303	XQJWJJPQDVCYTI-OAHLLOKOSA-N	406.488	5.086	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995261	DEODWLZUQQGBGE-KHZFFFCDSA-N	405.331	6.068	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996741	PLGVTEZIQAUDQI-INIZCTEOSA-N	413.329	6.025	30	20	HKED	
C/C=C/c1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC)c1	917043446	IQIBZELDJRFWDC-NHZBNJEXSA-N	412.898	5.247	30	20	HKED	
C=CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	917876815	ROJXDMBWWUGJDX-UHFFFAOYSA-N	417.852	5.381	30	20	HKED	
C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1	1792126172	BCCHCXGCFRMXML-LJRYMGMFSA-N	401.510	5.028	30	20	HKED	
C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCc1ccccc1)C2	1802317337	BWKANHADRUHQQF-BKFWDETESA-N	410.602	5.174	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC	6380733	OYYVGLBHJLFDBP-SDNWHVSQSA-N	404.462	5.188	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccccc2Cl)cc1	10825950	FELWEEXTPGSCMI-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(F)cc2)cc1	10829467	XYZUKSTWDXSLPG-UHFFFAOYSA-O	421.561	5.733	30	20	HKED	
N#CCc1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1	15499171	LJAHFWDJUUTKHV-OAQYLSRUSA-N	420.856	5.106	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)N(CCC#N)Cc3ccco3)c2)c(C)c1	60852335	PZDJBBDRGPPPNQ-UHFFFAOYSA-N	404.535	5.745	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)s1	212555836	SOVUMBSSPNXZII-HJWRWDBZSA-N	402.302	6.203	30	20	HKED	
CCOc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl	303578552	ZSGPYPXWAFBXPY-CQSZACIVSA-N	418.305	5.401	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cccc(OC)c1	409528457	PTMRSEJEFYAVDF-AWEZNQCLSA-N	421.310	5.056	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N(CCC#N)Cc1ccco1	426081179	UJFXLVWFCVUDJN-UHFFFAOYSA-N	423.444	5.476	30	20	HKED	
COc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(Br)c1	432838300	COXUPQGJQYSPAJ-QGZVFWFLSA-N	402.292	5.014	30	20	HKED	
CC1(C)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCS1	433265067	GCKSMGXSDWLJFO-UHFFFAOYSA-N	409.555	5.081	30	20	HKED	
C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1nc(-c2ccccc2)cs1	437108571	NWPQMNCNOGSUAG-PBPGXSGUSA-N	404.539	5.118	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1	438772902	LHTAKHXFULKHMD-CQSZACIVSA-N	412.415	5.353	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)cc1	439694168	OCWPEODIDDBFKP-UHFFFAOYSA-N	406.873	5.100	30	20	HKED	
CC(C)n1c([C@H]2CCCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)nc2ccccc21	443510597	NHXVWUSJIRZHMP-HNNXBMFYSA-N	413.447	5.287	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CCCN2CCCC2)CC1	443934666	DSBYAAAPMZPODV-LJQANCHMSA-N	414.619	5.058	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C	448068847	XTTMIBMUXAKEDW-FNZWTVRRSA-N	422.569	5.113	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	461682518	FXGKUNPVSRHGPG-UHFFFAOYSA-N	410.477	5.083	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1Cl	463374970	KQPGGXFBQDPHEQ-FYYLOGMGSA-N	418.949	5.965	30	20	HKED	
N#Cc1ccccc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	464546904	IHWIPUXEWGSLRX-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3F)o2)cc1	466576551	VAMKMIUBHIFWIE-UHFFFAOYSA-N	405.212	5.428	30	20	HKED	
Cc1coc(-c2cccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)n1	467970834	RDGYRMWAWKANNS-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cn1c(SCc2ccc(F)c(C#N)c2)nc2scc(-c3cccs3)c2c1=O	468626210	AVKAPZBKDUDRFF-UHFFFAOYSA-N	413.524	5.027	30	20	HKED	
CC[C@@H](C)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470844754	OKNROLKEBQAPRM-HOYKHHGWSA-N	403.526	5.038	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H](c1ccccc1)N(C)C	471141939	ZVHYWJUVWNMXCE-HOYKHHGWSA-N	415.562	5.131	30	20	HKED	
N#CCCSc1ccccc1NCc1nnc(-c2ccccc2Br)o1	471683954	CBDHNLJHQBJSKZ-UHFFFAOYSA-N	415.316	5.117	30	20	HKED	
CSc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c(Cl)cc1Cl	471693048	LSHXUCZXDUOYIL-UHFFFAOYSA-N	403.237	5.441	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F	472346381	GPTCSAAIARTATH-CQSZACIVSA-N	413.720	5.921	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1	474426745	LKNQFRDKJCEMBW-GOSISDBHSA-N	423.969	5.743	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cnn1-c1cccc(C(F)(F)F)c1	474445276	LHEAHRGHNXIWKQ-OAHLLOKOSA-N	418.444	5.270	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1	476124493	VNVTWTNRPBFDOL-JOCHJYFZSA-N	404.554	5.338	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1Cl)C(C)C	477093108	VFAABUARQFSXGD-SFHVURJKSA-N	411.933	5.237	30	20	HKED	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	480635838	LNRJEXJABZYXRT-OAQYLSRUSA-N	423.513	5.172	30	20	HKED	
O=C(N[C@@H]1CCCC(F)(F)C1)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F	482361752	DRCHARCJSDPRGH-ZYHUDNBSSA-N	420.300	5.066	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c1	482449303	PPBZOYMTGWTNHQ-UHFFFAOYSA-N	416.330	5.482	30	20	HKED	
CCCCn1ncc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C(C)C	482735750	SJFASZYMHORLEH-UHFFFAOYSA-N	416.525	5.510	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	485332544	HIYSIQRXIZNWLV-SJORKVTESA-N	401.514	5.584	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2cc(Cl)sc2[nH]1	485700301	WVVXVFHEONPHEK-UHFFFAOYSA-N	408.870	5.503	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc(-c2cc(F)ccc2OC)cs1	485740494	BLCKQALYOBRWMM-UHFFFAOYSA-N	400.500	5.488	30	20	HKED	
C=C(C)Cn1c(SCc2cc(Cl)cc3cccnc23)nnc1-c1ccncc1	489415637	RLCMMGQGIYAOOQ-UHFFFAOYSA-N	407.930	5.410	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(-c4ccccc4C)no3)o2)cc1	489768322	QZDLVSPWUCODHB-OAHLLOKOSA-N	420.494	5.513	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCCCOc2cccc(C#N)c2)c1	490192666	HKVPGGMXJOVORV-UHFFFAOYSA-N	413.905	5.138	30	20	HKED	
C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2ccccc2CC)n1	491296156	QHBBEMFHWBKRLU-UHFFFAOYSA-N	409.555	5.214	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-c1c(F)cccc1F	494519936	CIGPFBILYHDKLL-UHFFFAOYSA-N	422.431	5.310	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(F)c(Cl)c2)nnc1-c1ccccc1OC	497662986	HNRGMXWRBGDCNJ-ZDUSSCGKSA-N	403.910	5.786	30	20	HKED	
CCOCCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	498358604	GYQJRHJREXZOAM-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc12	499858196	DEBSMDZJCJXNCP-IBGZPJMESA-N	420.925	5.103	30	20	HKED	
CC1(C#N)CCN(C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1	507824954	LCBQPJPDHUKFGG-UHFFFAOYSA-N	413.477	5.432	30	20	HKED	
O=[N+]([O-])c1cc(F)c(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	509008191	WQABCEPAIKWSBM-CQSZACIVSA-N	414.252	5.285	30	20	HKED	
COc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	510007657	ZERMVCOZWLTYSY-NRFANRHFSA-N	405.885	5.326	30	20	HKED	
CCN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc(C#N)cc1	510398161	RVRRUFNRYSNWEE-UHFFFAOYSA-N	417.534	5.248	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21	511894654	HXCFKXQPYQHDJT-KTDPBYDISA-N	419.594	5.145	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519053032	UTJIIYIDNMAONP-DEOSSOPVSA-N	413.477	5.728	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(F)cc1Cl	519431716	LJDLGHCLYHIAIH-ZDUSSCGKSA-N	408.951	5.603	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cs1)c1nc(-c2ccc(Cl)cc2)cs1	520076528	RKMSYKMMOIYCMR-GFCCVEGCSA-N	423.744	5.778	30	20	HKED	
C=CCN(C(=O)c1ccc2c(C)cc(O)nc2c1)c1nc(-c2ccccc2)cs1	521101847	WVVDYRSIZIIOQB-UHFFFAOYSA-N	401.491	5.205	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	522039051	COWMOYZLQIYLNS-UHFFFAOYSA-N	424.913	5.681	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)c(F)c1	522133710	RESYCDRKVJVQRN-LBPRGKRZSA-N	422.323	5.162	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)c1	523890411	UISLBBJSZHMSHO-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
C[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1	527186700	NTAXVUIQRNAWQD-MRXNPFEDSA-N	416.443	5.141	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4c(Br)cccc43)ccc21	527292899	OUCYNYGTNBQZQO-FQEVSTJZSA-N	424.342	5.131	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2	534476203	HMZCDOPIYTXIAI-AWEZNQCLSA-N	416.616	5.018	30	20	HKED	
C[C@H](C(=O)N(C)c1cc(Cl)ccc1C#N)c1cccc(C(=O)c2ccccc2)c1	534885639	QFFAAUNBMBPRQW-INIZCTEOSA-N	402.881	5.209	30	20	HKED	
C[C@@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1	535602049	JGKQLHWWAKJKND-NFQMXDRXSA-N	410.517	5.052	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](CCCO)c2ccccc2)c1	535631906	MUTJPOHENSDCMV-JOCHJYFZSA-N	420.896	5.248	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2cccc(NC(=O)c3cccs3)c2)CC1	535837246	HUAJNXOQPCJRLX-UHFFFAOYSA-N	401.535	5.816	30	20	HKED	
C=C[C@@H](CC(=O)Nc1c(F)cc(C)cc1I)c1ccccc1	536574265	ZNJAWXLYWFXOHU-ZDUSSCGKSA-N	409.242	5.037	30	20	HKED	
CCC(C)(C)OCc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1C	537718322	IYPDZFKVARTFPK-UHFFFAOYSA-N	416.569	6.090	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SC2CC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	543059369	RZJDKBQKZXFOSY-INIZCTEOSA-N	421.547	5.020	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc2[nH]c(-c3cccs3)nc12	545384564	IDTIXMIEHVMULQ-AZUAARDMSA-N	412.518	5.203	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(OC(F)F)c(F)c3)c2)c1	550275147	UJSOQHBKRFNCIC-UHFFFAOYSA-N	412.411	5.168	30	20	HKED	
C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)c(F)c1	551574978	ZCWPRQPWSDQLOW-LHSJRXKWSA-N	406.423	5.535	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1c(F)cncc1F	553762431	IJILSJBXPMWGPP-LBPRGKRZSA-N	413.811	5.168	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)CC2)c(F)c1	557662997	NCNHCKWOFIHSOQ-UHFFFAOYSA-N	423.875	5.029	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1	558760332	YUVQMXRVTAKNSR-QVKFZJNVSA-N	417.937	5.837	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nc3ccccc3n2C2CC2)cc1	580821368	OVCAKCOHZQFQPJ-UHFFFAOYSA-N	423.476	5.357	30	20	HKED	
C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@@H](OC1CCOCC1)c1ccccc1	582638676	CWKCLEALIFBCBQ-YCRPNKLZSA-N	404.432	5.314	30	20	HKED	
C=CCN(C(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1)c1ccccc1	589298885	MIIMZVUOGCSCRL-UHFFFAOYSA-N	413.517	5.620	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1noc(-c2ccc(Cl)cc2)n1	589515547	HXHMYFSVJLHBIZ-NSHDSACASA-N	406.795	5.131	30	20	HKED	
Cc1nc(C(C)C)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	589983511	ZWROPCRZVJIZQD-UHFFFAOYSA-N	409.873	5.463	30	20	HKED	
CCCN([C@@H](C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(C#N)c1	604038317	WRGMKWJAUDVZHW-AWEZNQCLSA-N	411.354	5.168	30	20	HKED	
Cc1ccc(-c2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)o2)c(C)c1	608929913	BNAGXOKUHZRGKP-UHFFFAOYSA-N	401.495	5.012	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cs1	608933623	GROGFMGAGVUCOS-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4F)C3)cc2)cc1	608995804	IFUUXHYIYPSATQ-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
C[C@H](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccccc1F	609174562	ODZBJEIQQSAGBH-HOYKHHGWSA-N	402.469	5.279	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](Cc4ccccc4)C3)cn2)c1	609281473	KELSQOCLMKBWRO-OAQYLSRUSA-N	412.493	5.232	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1	609731421	OLFYGRXMIMLVQE-IBGZPJMESA-N	417.896	5.331	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1OCC1CC1	610122551	CYSFPDXGOSZDJH-UHFFFAOYSA-N	400.503	5.751	30	20	HKED	
COc1ccc(NC(=O)[C@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Cl	610346282	RPHCCXGXXJAATE-QMHKHESXSA-N	419.912	5.251	30	20	HKED	
CCCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H](C)c1ccccc1Br	610408072	GOQUKSZLUJUBIZ-HOTGVXAUSA-N	414.347	5.565	30	20	HKED	
O=C(CCc1ccc(F)cc1F)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485834	ZTXFQWLPRXJJBH-INIZCTEOSA-N	411.292	5.336	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)s2)cc1	642282101	LHHJKCZYOHDARC-OAHLLOKOSA-N	417.412	5.031	30	20	HKED	
O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	683156174	DYCVXEGUQBBSQL-KNVOCYPGSA-N	413.120	5.337	30	20	HKED	
Clc1cnc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1	725786083	DYYCCLPQOPUCCH-UHFFFAOYSA-N	409.280	5.082	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)Cc2ccccc2OC)cc1	730686495	GSTPLRCSBPPEBR-KGVIQGDOSA-N	406.526	5.125	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccccc2SCCC#N)ccc1F	730981852	CITHDKLEFATXSH-UHFFFAOYSA-N	415.490	5.431	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)c1	732420199	PFZDYRLXIVFLRO-VWLOTQADSA-N	407.473	5.653	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)O[C@H](c2ccc(Cl)cc2)c2cccnc2)c1	732504943	KHVFOZQAMOUYER-XMMPIXPASA-N	420.896	5.489	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	732700561	JEMGXUSKAJARMA-UHFFFAOYSA-N	421.532	5.035	30	20	HKED	
N#C[C@H](C(=O)/C=C/C1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	732707644	CKMJAIMFCPVFDJ-NTHKTCTLSA-N	407.322	5.276	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(Sc3ccccc3)CCCC2)c1	733804503	FPHOUQATJUZUGZ-FQEVSTJZSA-N	423.582	5.272	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(SCC(F)F)cc1	741841893	IIEQXFKIALTPNO-RUDMXATFSA-N	415.383	5.441	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)COC3)cs1	742438014	YZNGPUUJTCWLEM-JXMROGBWSA-N	404.491	5.062	30	20	HKED	
Fc1ccc(C(F)(F)F)cc1NC(=S)NCc1ccc(OC(F)(F)F)cc1	742995190	SEUXEOMYKZRDKK-UHFFFAOYSA-N	412.330	5.230	30	20	HKED	
C[C@@H](OC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F	743054539	FUOMEZIAVJWFQH-SECBINFHSA-N	423.284	5.047	30	20	HKED	
CC(C)c1nc(C#N)c(NN=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)o1	745611615	AKDMJMWRRDRIRD-UHFFFAOYSA-N	407.861	5.021	30	20	HKED	
Fc1cccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)co2)c1	746331024	RAUPQSKDJZRFOG-UHFFFAOYSA-N	403.413	5.005	30	20	HKED	
N#Cc1cc(NC(=O)CCCOc2cccc3ccccc23)c(Cl)c([N+](=O)[O-])c1	746482687	UXCSIFWOHDZOIP-UHFFFAOYSA-N	409.829	5.071	30	20	HKED	
CCOCc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)ccc1OC	747614623	KIIUOPQYCLIELD-VMPITWQZSA-N	408.466	5.451	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(Oc3ccccc3)c2)cc1	749170463	HTMNVCPQARFLCS-DEOSSOPVSA-N	405.457	5.782	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1C#N	752305021	ZEGKOZINLREOQB-HXUWFJFHSA-N	410.449	5.025	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2ccccc2F)cc1	752484916	JVFJSSDNBLAYIU-OAQYLSRUSA-N	402.473	5.105	30	20	HKED	
C[C@@H](ON=Cc1c(Cl)nc2ccccn12)c1ncc(-c2ccc(Cl)cc2)o1	752781062	HBCZLDVBZIEBOD-GFCCVEGCSA-N	401.253	5.408	30	20	HKED	
C[C@H](NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc(OCC#N)cc1	753733257	RFJLHZANGUKKEL-INIZCTEOSA-N	418.368	5.211	30	20	HKED	
C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc2ccccc2n1C(F)F	757546125	OUQMMWIWZUJMMT-JTQLQIEISA-N	409.314	5.240	30	20	HKED	
C=C[C@@H](CC(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1	758920188	LOGLWLGOKOPRKN-SFHVURJKSA-N	420.534	5.036	30	20	HKED	
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	765969937	YMXFHLRNSZAPGN-ZHRRBRCNSA-N	419.456	5.123	30	20	HKED	
N#CC1(COC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CCC1	768090210	DZHUCHBEQZIHEW-NSKAOLIHSA-N	423.397	5.346	30	20	HKED	
N#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccc(Cl)c(Cl)c1	768172885	AOGKBWQYIRLAAM-LJQANCHMSA-N	411.292	5.051	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	768175491	QXCGIZFSXFIRPD-MRXNPFEDSA-N	419.699	5.136	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	768461253	IUHGLXDXCBJBJX-UHFFFAOYSA-N	403.847	5.155	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)cc2)cs1	772637905	AJJBOCXNLAXIMH-BQXRBBLOSA-N	400.290	5.402	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(F)c2F)cs1	776268419	NMNGZQZXXWLQLA-YFHOEESVSA-N	402.397	5.141	30	20	HKED	
CCOc1ccc(C(=O)N2CCCCC2)cc1N[C@@H]1CCCc2cc(C#N)ccc21	777705629	UDTQQNNEJCGAQH-JOCHJYFZSA-N	403.526	5.073	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](CSC)c2ccc(C(F)(F)F)cc2)c1	781905370	NUXZWYKLANHUOG-ICSRJNTNSA-N	408.489	5.580	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(Cl)c(Br)c2)c2ncc[nH]2)c1	787169954	QVKMYRAJSYWCQV-DHDCSXOGSA-N	417.690	5.258	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	789723105	WLTNQRKXEWPPCM-UHFFFAOYSA-N	412.505	6.277	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1	793324871	NEAMKLXDPVPTNO-KNQAVFIVSA-N	411.505	5.204	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1	798019757	JMDNCIUKFAZWEG-FRFSOERESA-N	403.404	5.064	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2nccc3ccncc23)cc1Cl	801696208	WYCZFZONUGWDNS-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	802045529	OGYIHDDGUVOLBT-WFASDCNBSA-N	412.795	5.856	30	20	HKED	
C[C@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(OCC#N)cc1	802321479	XMIXIVJZGCEEJG-OASGUWLSSA-N	423.988	5.507	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCn3c(cc4ccccc43)C2)cc1	806200959	QGLLSZRXZKUUPD-VWLOTQADSA-N	420.516	5.735	30	20	HKED	
Cc1cccc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1Cl	810555905	SRTMZBJGOWYGHT-CYBMUJFWSA-N	402.853	5.469	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1nc(C#N)cs1	811689846	NGKJCIBOTSEYKN-SREVYHEPSA-N	416.325	5.105	30	20	HKED	
COc1cc(C2(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)CCCC2)ccc1C	813213283	KKTQCFOOIIESGZ-KRWDZBQOSA-N	402.416	5.106	30	20	HKED	
COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)CC1(C#N)CC1	815905519	PTGYVTPLJYCVDS-UHFFFAOYSA-N	414.461	5.008	30	20	HKED	
C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915359727	ZJCWOGKOJZCYIE-RDPSFJRHSA-N	404.558	5.118	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2cccs2)cc1	915710680	VZUNFBVHFRHOLK-SBUREZEXSA-N	419.550	6.075	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1Br	916309697	KINJHQNUAXVEEJ-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1	916844637	RXRXXFKUNCMRPI-VBROQKIQSA-N	423.316	5.490	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916904755	IMFMJGCISXHTDQ-OAQYLSRUSA-N	412.489	5.738	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1[C@H](C)c1ccccc1	916913286	WAUHBMZKDSYJLX-UZLBHIALSA-N	419.912	5.329	30	20	HKED	
Cc1cc(C)cc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1	917043823	OLOPDOZXCMGEPU-MRXNPFEDSA-N	414.452	5.840	30	20	HKED	
N#C[C@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc2cc(Cl)ccc2s1	917046956	YEZBKBNFMJFEQX-OAHLLOKOSA-N	422.897	5.199	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C/C(=O)c1ccc(N2CCCC2=O)cc1	917143670	ODTQQZMDPRRFFG-BUHFOSPRSA-N	419.912	5.165	30	20	HKED	
CC(C)CN(CCC#N)Cn1nc(-c2ccccc2F)n(Cc2ccccc2)c1=S	919943222	KFUHKGHVDJHOEE-UHFFFAOYSA-N	423.561	5.098	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1OCC1CC1	920362426	BQRQJPGYEJAJRR-UHFFFAOYSA-N	415.518	5.104	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cc2)CCC1	1789193237	OPHMPTSMWSFHNK-AJSBUHFISA-N	406.570	5.140	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822960953	UOKHTUIDWMOACP-MLSYTQOQSA-N	424.589	5.141	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccc(Cl)cc1	10753962	WUDBOMWOAUUYGE-UHFFFAOYSA-O	420.316	5.471	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1/C(O)=N/c1nnc(Cc2ccccc2)s1	30560618	UYFLWNJEABJEGU-UHFFFAOYSA-N	406.536	5.121	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)s2)c(C)c1	63595813	AWVRWSDSQWHHBB-UHFFFAOYSA-N	405.523	5.670	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@@H](C)c2oc3ccccc3c2C)cc(OC)c1OC	65290565	VFKYZPMYEXKXKV-INIZCTEOSA-N	408.498	5.047	30	20	HKED	
C=CCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1ccoc1C	104924652	GPRNOPZWNUBPDJ-UHFFFAOYSA-N	417.918	5.140	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)c1nnc(-c2cccs2)o1	141992970	TXKCWFSCUDBDFF-OAHLLOKOSA-N	402.479	5.944	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cccnc3)c2c1	303652881	UQOVUTSEGTZRFS-FMIVXFBMSA-N	420.472	5.320	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(O)c1	429119171	VGFSEFDNVDWXKS-VFNWGFHPSA-N	405.885	5.584	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)cc1	437882815	SAKDYHYZFAUSTK-SFHVURJKSA-N	413.521	5.513	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1	438457531	SJRUNCQUDULAPQ-SJBKTWHCSA-N	423.557	5.293	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc2c1	446762272	OSSDWPJZPDAJKC-CYBMUJFWSA-N	408.255	5.179	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CCOCC2)[C@@H]1C	460371691	CDUYHEZNYOAKJL-RTWAWAEBSA-N	424.589	5.006	30	20	HKED	
COCC1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCCCC1	461472604	XFGIVQLHDDVZSF-UHFFFAOYSA-N	408.567	5.177	30	20	HKED	
C=CCOc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)cc1OC	463009652	LUWDKAAVCLKOIJ-JOCHJYFZSA-N	421.884	5.080	30	20	HKED	
N#Cc1cc(NC(=O)CCc2ccncc2)ccc1Oc1ccc(C(F)(F)F)cc1	464293911	HOQHWFMUDGPRAS-UHFFFAOYSA-N	411.383	5.336	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1cc(C(F)(F)F)ccn1	464418873	CWCXLHQZVFLQPF-VIFPVBQESA-N	421.575	5.145	30	20	HKED	
Cc1cnc([C@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C2CC2)s1	464795489	QCGJQEAHXTUDOP-OAQYLSRUSA-N	403.507	5.305	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1oc(-c2ccccc2)nc1C	468059929	FUZPAELJUMYBHI-UHFFFAOYSA-N	409.445	5.875	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1C#N	468966294	MMQVNICTPPRANN-HNNXBMFYSA-N	424.595	5.300	30	20	HKED	
C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(Cl)c(Cl)c1	471338367	XWWOWCQNWVNOTL-LBPRGKRZSA-N	415.242	5.560	30	20	HKED	
CCc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-]	473930551	YLFGNBISTURTBD-ZDUSSCGKSA-N	413.405	5.049	30	20	HKED	
COc1ccc(CC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	474262518	DGKNMZLEHHMHRA-INIZCTEOSA-N	423.328	5.206	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1	476336690	WNCLGPOIZXTGDW-QGZVFWFLSA-N	403.551	5.753	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C1c2ccccc2-c2ccccc21	477788699	BHLCEDPPAULLOO-KRWDZBQOSA-N	413.546	6.172	30	20	HKED	
CCNC(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	479573328	JVWBUEQZIGWACU-UHFFFAOYSA-N	416.506	5.103	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cnn([C@@H](C)CC)c2C)cc1OC	480456419	ZBUUAMUKYHPOMU-ZDUSSCGKSA-N	408.340	5.111	30	20	HKED	
N#CCCC[C@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccccc1	487299467	PBOZDHUZKKYJIF-VHYCJAOWSA-N	423.601	5.183	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)cc1	487457408	YYJUMJQVCFTVLL-VWLOTQADSA-N	412.489	5.846	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](CCCC#N)c1ccccc1	487571065	WCPZLHCILLSECM-GHTZIAJQSA-N	413.359	5.569	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n1	488011330	SYLJVBBFQMXHKZ-UHFFFAOYSA-N	424.479	5.034	30	20	HKED	
C=CCn1c(SCc2nnc(Cc3ccccc3C)o2)nnc1-c1ccc(C)cc1	489667308	NGNDOEJWUXSZED-UHFFFAOYSA-N	417.538	5.014	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1-c1ccccc1	489899620	RPPMFPSVEHCHKT-QGZVFWFLSA-N	404.539	5.635	30	20	HKED	
CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cs1	490485253	MRBMQEVFFWNIKR-HNNXBMFYSA-N	407.495	5.086	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1CCC[C@@H](C(F)(F)F)C1	493466040	PPYSQJVNMQUSFG-OPQQBVKSSA-N	419.312	5.376	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	497988739	DERYBFNVCAEUPR-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
N#Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1	499213237	MXYRLRRIFIVUGX-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H](C#N)c1ccccc1Cl	499943964	JTWKNRFGSAMHDV-GFCCVEGCSA-N	408.335	5.482	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1c(F)cccc1Oc1ccccc1	504173536	VIMFGYADAKSHGC-UHFFFAOYSA-N	401.441	5.710	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccc(F)cc1F	504553185	FJBKCFHXCPDNEF-INIZCTEOSA-N	420.444	5.073	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c3ccccc3n2)cc1	505456985	GUPNJKRHXWHMGI-FQEVSTJZSA-N	419.440	5.542	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)cc1OCC(F)(F)F	506893944	IVZJDBAVAAIEJG-UHFFFAOYSA-N	424.316	5.450	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1C(F)F	507369284	JCUORQFEEZJAEF-STQMWFEESA-N	418.328	5.528	30	20	HKED	
CCN(C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1)[C@H](C)c1ccc(C#N)cc1	509573644	GEUWJPMEXMFFTL-HXUWFJFHSA-N	413.521	5.372	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510861248	XCCGYEQYNLTRJY-QFIPXVFZSA-N	417.534	6.262	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC	512536798	VTWQHVVRBJAWKH-UHFFFAOYSA-N	418.449	5.019	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCOC2CCCCC2)cc1	514026693	KBAKZYBXXXYKKF-UHFFFAOYSA-N	423.532	5.149	30	20	HKED	
CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1	515458094	ZOAFYZJGYSKFFE-UHFFFAOYSA-N	423.516	5.350	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1	518241048	STDCXOQEIMGWEJ-OAHLLOKOSA-N	424.501	5.231	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1cccc(Cl)c1Cl	519450321	ACHDDIYOWZRGCC-ZDUSSCGKSA-N	408.354	5.609	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)c3cc(C4CC4)nc(SC)c3C#N)c(C)c2c1	521641679	QGWLTVFUZSWMBH-ZDUSSCGKSA-N	421.522	5.107	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	521714693	SKEKFFWTFPODHY-UHFFFAOYSA-N	422.941	5.479	30	20	HKED	
C=CCn1c(S[C@@H](C#N)C2CCCCC2)nnc1-c1ccc(Br)cc1	522333375	SZFMMAUHDSIJMA-KRWDZBQOSA-N	417.376	5.458	30	20	HKED	
CCC(=O)c1ccc(OCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1	522577107	VTLUIYJPKVLQFU-UHFFFAOYSA-N	401.462	5.318	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3csc(Cc4ccccc4F)n3)n2)cc1	522739646	HTDNHIZVIWZFFA-UHFFFAOYSA-N	420.494	5.120	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H]2c2ccccn2)c1	523945017	RUWUMFPSFYIRAS-OAQYLSRUSA-N	403.869	5.376	30	20	HKED	
CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	524490932	IRDBZAQZVRSGRA-GOSISDBHSA-N	402.498	5.193	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(F)c(F)c2)cc1	526062547	ZDMPDSPRUNIPSZ-UHFFFAOYSA-N	408.473	5.101	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@](C)(O)[C@@H](C)c1ccccc1	531100312	YVTMNQVYMPDJIB-AVRWGWEMSA-N	400.478	5.152	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc2c1CN(c1nccs1)C2	534760488	BHIITIYKEWJLBL-UHFFFAOYSA-N	408.502	5.023	30	20	HKED	
C=C[C@H](CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccccc1	535430790	AJIXRQMQZNKQEJ-OAHLLOKOSA-N	424.298	5.330	30	20	HKED	
COc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nc3ccccc32)cc1	537467775	PQWYXEVWNWSYDF-UHFFFAOYSA-N	407.539	5.227	30	20	HKED	
CC(C)COc1ncccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	537666615	WKYLKSACNDQPBK-AWEZNQCLSA-N	413.449	5.008	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNc2cc(C(C)=O)ccc2C#N)cc1	541579721	YZACWLPTVKLYJW-UHFFFAOYSA-N	401.466	5.349	30	20	HKED	
Cc1ccc(NC(=O)Cc2nc(CSc3cccc(Cl)c3C#N)cs2)cc1	542102088	CPZVRIITAHPBQF-UHFFFAOYSA-N	413.955	5.450	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)C2CC2)cc1	542419036	QCFNJSGDDXGDPS-QFIPXVFZSA-N	401.535	5.278	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1	546811554	RVHCWQYGPFBBIC-LJQANCHMSA-N	418.415	5.018	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1	548192877	CUPDAOUXXIOHOR-GOSISDBHSA-N	405.445	5.208	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1	552952890	QKMWHPGOXTXMAG-UHFFFAOYSA-N	421.544	5.027	30	20	HKED	
C[C@H](CN(C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccccc1	557505934	LCJPRDBRDQVYCF-GOSISDBHSA-N	409.961	5.080	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C#N)c1cccc(OCc2ccccn2)c1	583517708	IUNUFGGZSDBFRU-MRXNPFEDSA-N	422.326	5.146	30	20	HKED	
COc1ccc(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1F	603532762	QZYFDXUDDBBKRU-UHFFFAOYSA-N	420.459	5.320	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3c(F)cccc3F)s2)c(C(F)(F)F)c1	603757669	GPYMBHWVIJENGQ-UHFFFAOYSA-N	423.366	5.155	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2ccccc2n1	603835710	LHKLONSXYYMKBD-FQEVSTJZSA-N	422.444	5.245	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC(Oc2cccc(C#N)c2)CC1	609194909	FUZBXAOSONNFON-UHFFFAOYSA-N	419.569	5.287	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(-c2ccccc2Cl)s1	609378046	VJSIXBYVQHCFHA-CYBMUJFWSA-N	413.955	5.968	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609425121	CWHOXLGRFZDHPQ-CQSZACIVSA-N	411.458	5.180	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1Br	609593184	QTWCOSCKINBKAI-INIZCTEOSA-N	415.674	5.357	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F	609696668	JEQRHCCWIQUHFR-QFBILLFUSA-N	406.457	5.274	30	20	HKED	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	610321936	UVAMSHKKGNPPDI-AZGAKELHSA-N	411.505	5.183	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1	610972980	WSJOCARRYAPWOZ-HXUWFJFHSA-N	420.900	5.063	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CN[C@@H]1CCCc2cc(C#N)ccc21	611391146	WCABQNOHDIDCNW-HSZRJFAPSA-N	413.521	5.702	30	20	HKED	
Fc1ccc(Br)cc1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	620748135	APKKIXUSYGXZBW-AOOOYVTPSA-N	408.155	5.151	30	20	HKED	
Cn1cc([C@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccc(F)c2)cn1	679331901	QKFWVPZPDGMSHH-YQFWSFKMSA-N	423.376	5.148	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Cl	726465919	MXLTZWPDOIIMOA-UHFFFAOYSA-N	406.898	5.273	30	20	HKED	
C[C@@H](c1cccs1)N1C(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)SC1=S	726629171	JINGRMBCVJDVKF-RAOBZKRQSA-N	413.593	5.060	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S	726963519	FLIZIKLXMMCFCR-OAHLLOKOSA-N	403.983	5.289	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2ccccc2Cl)cc1	727355265	PDGWFTPIQJDMFZ-NALLFNBYSA-N	408.910	5.408	30	20	HKED	
Clc1cc(CON=Cc2cccc(OCc3ccncc3)c2)c2ncccc2c1	727433929	DZIJNCDIOGTCJF-UHFFFAOYSA-N	403.869	5.413	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(OCCC(=O)O)cc2)CC3)cc1	727653929	BYTLCCHCGCJDPM-NBVRZTHBSA-N	419.502	5.185	30	20	HKED	
C#Cc1cccc(N(C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)C(C)C)c1	728246705	GSDMOUWWASLWRG-UHFFFAOYSA-N	414.534	5.042	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	729040301	OVNSMASXSINGCH-UHFFFAOYSA-N	423.582	5.833	30	20	HKED	
Cc1c(C(=O)/C=C\c2c(Cl)nc3sccn23)cnn1-c1cccc(Cl)c1	731565485	QSOIPWZEKHERKM-WAYWQWQTSA-N	403.294	5.093	30	20	HKED	
C[C@H](SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1	731938469	GDLXYDFHIRJALR-KSSFIOAISA-N	412.967	6.134	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12	732104295	PUNUJEUQTZJPCP-UHFFFAOYSA-N	412.424	5.272	30	20	HKED	
CC(=O)Nc1ccc(N(CCCCC#N)Cc2ccc(Br)cc2)cc1	732204991	IJCJUPMLIHATDT-UHFFFAOYSA-N	400.320	5.108	30	20	HKED	
COc1cc(CSc2ncnc3ccccc23)ccc1OCc1cccc(C#N)c1	734980037	GWWKNVITZSJRIV-UHFFFAOYSA-N	413.502	5.381	30	20	HKED	
COc1ccccc1-c1ccc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)O)c2)cc1	741467046	DRYBSNTWOPWKEA-VMEIHUARSA-N	402.446	5.110	30	20	HKED	
N#CCCn1cc(C=NNc2c(F)cc(F)cc2Br)c2ccccc21	741772602	VYYRBCRZYDIUEJ-UHFFFAOYSA-N	403.230	5.042	30	20	HKED	
Cc1cc(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)ccc1Oc1cccnc1	741845451	WQJDSBHLHYOIRM-YRNVUSSQSA-N	420.472	5.444	30	20	HKED	
N#C[C@H](C(=O)Cc1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	744035869	RNYGZROQHYYWIF-CQSZACIVSA-N	423.271	5.814	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NO[C@@H](C)C(=O)Nc1ccccc1C(C)C	748100232	HNZXPBDRCNPRAC-FQEVSTJZSA-N	418.541	5.049	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C[C@@H](C)c3ccccc3C2=O)cs1	751537757	ZOOHUDMHIYSATH-IZCBMXNHSA-N	422.937	6.255	30	20	HKED	
COc1ccc(/C=C(/C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F	755636285	VKLQHQJDLRZUEV-WAFIBAPDSA-N	417.465	5.109	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759217547	SJKLJWJDWFTHDE-VFQAQYNWSA-N	400.290	5.402	30	20	HKED	
N#Cc1ccc([C@H](O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1	764697222	AKRURZXCWVJYLV-JOCHJYFZSA-N	418.566	5.071	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC[C@@H](C)c2cccc(Br)c2)ccc1OC	767382356	IDDVDXRWOKUIDH-BEFAXECRSA-N	417.347	5.032	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc(Cl)nc(Cl)c1	768406220	FMIDOUBXMKRFKS-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
COc1cc2c(cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1)oc1ccccc12	769611581	RXIRBEMDJNECFP-UHFFFAOYSA-N	400.434	5.262	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCc3c2sc2ccccc32)ccc1OC	772985600	KXTILJSYXDWYGU-FXAWDEMLSA-N	406.551	5.758	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1	773266294	WKBNJOTXRWEUEZ-UHFFFAOYSA-N	401.919	5.031	30	20	HKED	
CC(C)[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(C(F)(F)F)c1	777118842	XMPKNBIYDNVMPK-QFIPXVFZSA-N	417.475	5.347	30	20	HKED	
Fc1ccc(NC(=S)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(F)c1	778533369	UILKYAJSJAUELG-CYBMUJFWSA-N	412.330	5.156	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCC2	780486664	YCLDKYJGCWVONH-FPOVZHCZSA-N	402.523	5.306	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1O[C@H](C)c1ccccc1	780579328	WSBWYLHWVYRWPL-ZWKOTPCHSA-N	401.466	5.761	30	20	HKED	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nccc2ccccc12	792099658	IKBLOQKWXRRZMN-KUHUBIRLSA-N	417.921	5.793	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1cnc2ccccc2n1	792115031	RXLQWZOLGHGYEJ-PODYEWJSSA-N	401.775	5.192	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2c(Cl)ccc3c2OC(C)(C)C3)c1	797686828	URXBKBHSSAYXSO-INIZCTEOSA-N	413.905	5.056	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1Br	798827398	FXRIGNKVFWWEAV-GFCCVEGCSA-N	417.303	5.352	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OCCCC1(C#N)CCOCC1	800197959	NFTPCKVXCDRINX-UHFFFAOYSA-N	423.296	5.214	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(Cc2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1	809432655	NBJVIDJWBAGUNI-LJQANCHMSA-N	418.497	5.247	30	20	HKED	
Cc1c(C(=O)OCCCC2(C#N)CCOCC2)sc2ccc(Br)cc12	814498641	XWQJZEIGYJACLG-UHFFFAOYSA-N	422.344	5.230	30	20	HKED	
N#C[C@H](C(=O)Cc1cscc1Br)c1nc(-c2ccccc2)cs1	815912577	QKJNQONIFNDRIQ-CYBMUJFWSA-N	403.326	5.053	30	20	HKED	
N#CC1(CC(=O)O[C@H](Cc2ccccc2Cl)c2ccc(Br)o2)CC1	816093411	LWISRYNZRGZXMT-OAHLLOKOSA-N	408.679	5.216	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915086915	YGRLKHLKCIRUCJ-VEYWIMSWSA-N	409.489	5.189	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1	915102270	QWWLYQKPZKYIAD-LJQANCHMSA-N	415.543	5.661	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Cl)cc(Cl)c1	917535392	CCAMUBOGBDAJLO-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(Cl)cccc3Cl)n2)cc1	920143232	UWIJUXGQMSGUKW-OAHLLOKOSA-N	412.301	5.408	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3cccc(Br)c3)cc2)cc1	920998434	RWCXPBWKRQIPDO-UHFFFAOYSA-N	424.323	5.922	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1	1789455660	ZBWVQYSVYWMGKW-QFIPXVFZSA-N	406.570	5.469	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CC=C)C(=C)C)CC1	1828825000	QXAFOSPRUGADJA-ZEQRLZLVSA-N	412.618	5.143	30	20	HKED	
C=CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(F)cc1	6094310	LYIXOENKQGNEMT-UHFFFAOYSA-N	411.546	5.148	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)cc1OC	46691212	BLZRZZVXOJHRCP-CSKARUKUSA-N	403.478	5.191	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OC(F)F)c2)cc1	53434448	BMNXHKJYFXSUTO-UHFFFAOYSA-N	410.445	5.704	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-]	58989346	JGQZQBYOBQLWGG-IBGZPJMESA-N	405.841	5.464	30	20	HKED	
C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F	60738472	OCQGIFPWMKYADD-UHFFFAOYSA-N	414.767	5.013	30	20	HKED	
CC(C)(C)C[C@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	61773396	MVEXZKHDMKCJJK-MRXNPFEDSA-N	415.588	5.135	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1	64252047	KEKIDVHWAXPVJW-UHFFFAOYSA-N	423.520	5.019	30	20	HKED	
Cc1cc(C)cc(OCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	117562247	YFCMCLVOMVBKJI-UHFFFAOYSA-N	414.505	5.356	30	20	HKED	
C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303651420	DYPVILLWSVBRBL-VIFPVBQESA-N	401.301	5.309	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F	428906200	KXPHWAYSCWTUJK-UHFFFAOYSA-N	407.408	5.220	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1	429959448	DUOGCXAHVUZHRY-UHFFFAOYSA-N	405.445	5.174	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CC4(CCC4)[C@H]3c3ccccc3)s2)cc1	432634387	PULSCTIANYROGH-OAQYLSRUSA-N	414.534	5.365	30	20	HKED	
CCCc1nc(C)c(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1	432983052	DVPOFVPWFCZQAN-UHFFFAOYSA-N	408.433	5.060	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H](c2cccc(C(F)(F)F)c2)O1	433288682	ZXDYPDDCMGJPKT-SGTLLEGYSA-N	423.822	5.224	30	20	HKED	
N#CCCn1cc(CN(CCc2ccccc2)Cc2ccccc2)c(-c2ccncc2)n1	434833417	KUMITCIWYQDRGV-UHFFFAOYSA-N	421.548	5.104	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1)c1ccccc1	435763227	QFXDURNLWSKDFD-GMAHTHKFSA-N	420.944	5.568	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)co1	436266021	XUGCTGGQTLSPIA-HNNXBMFYSA-N	409.536	5.324	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1C(C)(C)C	437478121	XZPYDBKYBWVSAA-UHFFFAOYSA-N	406.461	5.256	30	20	HKED	
Cc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(OCC(F)(F)F)c1	437820860	KJKXDCMQIPGPAY-MJGOQNOKSA-N	417.431	5.240	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	438083582	YBHQCBBCPCDLFW-KDOFPFPSSA-N	403.935	5.101	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cc1ncc(-c2cccc(Br)c2)o1	441279039	ODRLZYQXWVITBH-UHFFFAOYSA-N	410.315	5.386	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)c1ccccn1	442655317	QNKURXCANZAQLR-MRXNPFEDSA-N	413.329	6.171	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1cncc2ccccc12	462499495	FHRUVUDOFQYBBE-UHFFFAOYSA-N	407.473	5.779	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	463397951	VFADTOBYLDXPGW-UHFFFAOYSA-N	409.433	5.174	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccccc1	465726266	PBQVPISRDDCTJK-VAMGGRTRSA-N	401.432	5.161	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nc2ccccc2c1=O	468645718	RKTSIFWTUYFZFQ-INIZCTEOSA-N	418.522	5.103	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1	469665039	XRLZOVQLWNVIAK-CABCVRRESA-N	401.482	5.238	30	20	HKED	
COC(=O)c1ccc(C(C)C)c(NC(=O)c2cn(CCCC#N)c3ccccc23)c1	469823967	AUMYLJJZISXVTK-UHFFFAOYSA-N	403.482	5.107	30	20	HKED	
CC(C)c1ccc(SCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469957205	TUVRSNUQJMGLLJ-UHFFFAOYSA-N	421.566	5.124	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)n1	474432840	LIRAQHNQSZPTCB-CQSZACIVSA-N	410.520	5.256	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)n1	474446823	PSEJBBSJOUZYJC-ZDUSSCGKSA-N	420.460	5.706	30	20	HKED	
C=CCC[C@H](NC(=O)NC1CC(N2CCCCC2)C1)c1ccc(C(F)(F)F)cc1	474546325	HFUSHCHSDODLES-MHJFOBGBSA-N	409.496	5.029	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)nc12	475515350	ANFSZYGCEYJIMX-ZDUSSCGKSA-N	410.355	5.035	30	20	HKED	
CCc1cnc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	475651417	DITJTPCYOXJOBG-UHFFFAOYSA-N	406.511	5.342	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1ccc(Cl)cc1)c1cccnc1	475897639	INFPSYJGHQBVOG-SQJMNOBHSA-N	417.940	5.760	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1ncc(-c2ccccc2)o1	477377441	GQOGJDYXLCEGMF-QGZVFWFLSA-N	409.445	5.497	30	20	HKED	
CC1(c2nc3ccccc3s2)CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1	477934873	FUZXXBHGQUQVSR-UHFFFAOYSA-N	410.930	5.407	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(NC(=O)CC)ccc1Cl	480391852	WNVQOXFSKAFGLZ-UHFFFAOYSA-N	412.342	5.624	30	20	HKED	
C=C(C)[C@@H](NCc1ncc(-c2cccc(Br)c2)o1)c1ccc(F)c(F)c1	481612244	SBWCHPLSMGVJKE-HXUWFJFHSA-N	419.269	5.789	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)c(OCc2ccccc2)c1	482562127	CGXXYDZHXWXVRM-HXUWFJFHSA-N	406.507	5.309	30	20	HKED	
CCOCCC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCC1	483341353	UUGZWYULLBCGKZ-UHFFFAOYSA-N	423.513	5.078	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	486657674	YZQWAMJAEZQAOB-AWEZNQCLSA-N	407.392	5.123	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccccc1	490752738	ANUCUEQPZOSDSJ-MJGOQNOKSA-N	400.404	5.116	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(F)F)c(F)c3)n2)cc1	496031017	WDHNDHFNSCKATQ-AWEZNQCLSA-N	402.397	5.349	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)c1cccc(F)c1	502791529	CMYYJKJBPQSZAX-UHFFFAOYSA-N	402.425	5.400	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)cc1	503337010	LATJZDUFVQDPPQ-DQEYMECFSA-N	410.517	5.396	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(C(C)(C)C)no3)n2)o1	504553014	FSSAKYQZQAUIRI-UHFFFAOYSA-N	422.432	5.513	30	20	HKED	
CC(C)(C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1cc(F)cc(C#N)c1	506101735	SYZWMRPVFCYSDK-UHFFFAOYSA-N	416.456	5.258	30	20	HKED	
N#CC1(CCCSCc2csc(Cc3ccc(Cl)cc3)n2)CCOCC1	507722339	SQXHVCXLGYWJJX-UHFFFAOYSA-N	407.004	5.721	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	508188763	AKCZDMUAQPPDFQ-AOMKIAJQSA-N	419.912	5.454	30	20	HKED	
N#CCCn1cc(CNc2cc(F)c(Br)c(F)c2)c(-c2ccccc2)n1	508451338	JECZQEWYIBNPGK-UHFFFAOYSA-N	417.257	5.117	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](COCC)C1	508463497	GZQPNKFRSLJTKC-VQTJNVASSA-N	420.557	5.010	30	20	HKED	
Cc1nc(NC(=O)c2cccc(C#N)c2C)sc1-c1nc2ccccc2n1C(F)F	509125786	TXVIBYAVDCSUPZ-UHFFFAOYSA-N	423.448	5.296	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc21	510370050	USOADLNCFASFIL-HXUWFJFHSA-N	415.880	5.296	30	20	HKED	
C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510550169	OFMZENLRYVWAMC-KKSFZXQISA-N	423.944	5.019	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1C(C)C	512721258	SLMPXQUVSOSUKQ-QGZVFWFLSA-N	406.507	5.441	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	512793263	SCWJSTNSBQWCQB-HSZRJFAPSA-N	413.477	5.728	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F	513161360	SLJOPGLCGNEKOE-FQEVSTJZSA-N	419.472	5.278	30	20	HKED	
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	513554006	MKZBWSAXTQVFLF-DFBJGRDBSA-N	419.544	5.222	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)c1	518266223	QTLQAVREWBKWIS-HXUWFJFHSA-N	400.522	5.775	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(CN2CCCCC2)cc1	520196093	XJUSQHIDUYJEMB-IBGZPJMESA-N	422.598	5.388	30	20	HKED	
CCCO[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1	522637832	PDIPXILZHNAGOZ-HXUWFJFHSA-N	412.917	5.425	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C	522837433	ZISJEYLZZFESSS-XXBNENTESA-N	421.541	5.622	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)cc1	523420834	CHHRBUMXMALJTK-IFMALSPDSA-N	417.553	5.219	30	20	HKED	
N#Cc1c(NC(=O)c2csc(-c3c(F)cccc3F)n2)sc2c1CCCC2	523868255	XYVSHQXJGVKZSW-UHFFFAOYSA-N	401.463	5.153	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c2cnn(C(C)C)c2n1	523966506	XPWOFDWCQXAVRP-CRICUBBOSA-N	415.541	5.190	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1cnn(C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	531417245	HZTNIJPBBIDALU-LBPRGKRZSA-N	421.353	5.173	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(CC)C(C)=O)n1)c1ccc(C(F)(F)F)cc1	533069360	GKNDKTUACBTCMF-GOSISDBHSA-N	411.493	5.332	30	20	HKED	
C=CCCC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1	535688883	BCNFTONLKLXFCB-UHFFFAOYSA-N	419.337	5.264	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)NCc2cccc(C#N)c2F)cc1OC	540378731	IMTKVVNHQZDUJU-JOCHJYFZSA-N	404.485	5.097	30	20	HKED	
C[C@@H]1N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCC12CCOCC2	543561843	CGSLAJNXEKAWJP-LAUBAEHRSA-N	423.944	5.418	30	20	HKED	
C=CCOc1ccc(/C=C\c2nc([C@@H](OC)c3ccccc3Cl)no2)cc1OC	546521461	SWIUEWWAKQFXQG-SKIIKRCTSA-N	412.873	5.203	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC(Oc2cccc(Br)c2)CC1)c1ccccc1	546813068	JGAUTVHPZVEJEL-KRWDZBQOSA-N	414.343	5.179	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3c3nccs3)cc2Cl)cc1	548451676	ILCZHCSHCIXGKH-GOSISDBHSA-N	424.913	5.068	30	20	HKED	
Cc1c(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)sc2ccc(C#N)cc12	551149034	VGGPOYAANSCKHC-UHFFFAOYSA-N	408.376	5.414	30	20	HKED	
COc1cc(C)c(Br)cc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	552117653	CZEDHDMWCAXFMH-LBPRGKRZSA-N	407.333	5.010	30	20	HKED	
Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1-c1ccncc1	552880380	CGYNBQXFDRYKAG-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CC(C)c1cc(NC(=O)Nc2cccc(OCCCC#N)c2)n(-c2ccccc2)n1	555003538	AHWSLBUIPJSRQO-UHFFFAOYSA-N	403.486	5.322	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC(C)(C)c1c(C)noc1C	562148188	CFIDVCVGCHWYBG-UHFFFAOYSA-N	418.497	5.107	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1C1CCCC1	566826186	HFDWVRSMDDLQQJ-UHFFFAOYSA-N	402.458	5.010	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cc2cccc(F)c2o1	570488449	ATMLTONFPXXKGJ-CQSZACIVSA-N	416.412	5.514	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1OC1CCCC1	575090519	AQFYRNOUIXRBAR-SFHVURJKSA-N	419.506	5.025	30	20	HKED	
CSc1ccccc1N(C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	575212831	JEYRGBFWVVGAEL-UHFFFAOYSA-N	413.974	5.203	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Sc2ccccn2)cc1	576895212	JHPJDMNNQZJRLH-UHFFFAOYSA-N	406.555	5.229	30	20	HKED	
COc1cc2ccccc2cc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	603600906	LYXREGRYJMQWRG-UHFFFAOYSA-N	409.445	5.468	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NCCc2ccc(Cl)cc2Cl)c1	608802765	RHPSOMHDWCRGAX-UHFFFAOYSA-N	415.276	5.010	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)n1	609176669	VAZVWNWUBVBNFY-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C)cs1	609206780	UGTKSAUPHRYOOX-ICSRJNTNSA-N	424.957	6.033	30	20	HKED	
CC(C)(C)[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1	609252362	BVTBJRHHLUPSPO-GOSISDBHSA-N	407.411	5.303	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccnn3CCc3ccccc3)cc2)cc1	609503029	WQEVAFIMDXLHMN-UHFFFAOYSA-N	422.488	5.236	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cccc(CSCc3ccccc3)c2)c(F)c1	609713575	DKOYMCOCLJGVOI-UHFFFAOYSA-N	405.498	5.452	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C#N)cc1	609723206	UWWMJHOMOZTCSQ-OAHLLOKOSA-N	401.853	5.367	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1Cl	609727596	NFIPEYMUNYAAHP-QFIPXVFZSA-N	412.880	5.433	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2ccccc2F)CC1	609857825	REKFCXZLFDXCHM-UHFFFAOYSA-N	400.453	5.255	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(C#N)c1	610324898	XJKIQXAHXTXCMJ-HNNXBMFYSA-N	402.410	5.141	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl	610792617	CIMMVPMXDIJAEL-RDTXWAMCSA-N	403.935	5.243	30	20	HKED	
N#Cc1ccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1	610896544	KWRQOJIQQGLOPU-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NC(=O)NC(C)C)n2)cc1	613318273	UCLNIQDNOMUPEY-GOSISDBHSA-N	418.522	5.139	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)cc1OC	614270921	FYUAXYGSNDUVSO-UHFFFAOYSA-N	409.526	5.067	30	20	HKED	
C=CCc1cc(C(=O)N(Cc2ccco2)Cc2ccc(C)s2)cc(OC)c1OC	620460435	NDZJBBXWMKPDAR-UHFFFAOYSA-N	411.523	5.238	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	620825451	IWVYCPLOFBVSTB-LJQANCHMSA-N	418.006	5.011	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(OCc2ccccc2)CC1	642479896	VOOXLHGTTGYOKD-UHFFFAOYSA-N	410.517	5.300	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccccc1	676472877	KUPUHCTZKWOBCQ-QFIPXVFZSA-N	416.525	5.333	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1)c1ccc(F)c(F)c1	681407356	GIRJDHQZXXVPQZ-NRFANRHFSA-N	410.424	5.294	30	20	HKED	
COc1cc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)ccc1O	725839614	WRHGGPORWCKIJT-UHFFFAOYSA-N	408.458	5.048	30	20	HKED	
COC(=O)Nc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F	727334944	DTQSSBQLUHXSHP-UHFFFAOYSA-N	424.272	5.294	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnc(-c3ccccn3)s2)c1	728182053	SKGIARGKMSGIQY-UHFFFAOYSA-N	401.516	5.095	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)cc1OC	728498748	LSFLCIXMTGORDA-BUVUWQSRSA-N	405.416	5.035	30	20	HKED	
Cc1c(C#N)c(NC(=O)CNC(C)(C)c2ccc(F)cc2)n(C2CCCCC2)c1C	728929424	ZYSPYPFUVXYAOG-UHFFFAOYSA-N	410.537	5.084	30	20	HKED	
Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)cc1	730461408	OEOLGGWLADSMLX-NRFANRHFSA-N	421.566	5.125	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	730687906	QIGMKHUGDHRODU-FGTMMUONSA-N	401.293	5.007	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C	731069753	PVZWEUVWRYLMPK-VJIACCKLSA-N	422.550	5.201	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1	731752446	GPLOBPSBLNKCOQ-FCHUYYIVSA-N	401.441	5.126	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1F	731980319	LEICXESFCMDSGV-UHFFFAOYSA-N	420.440	5.019	30	20	HKED	
CCn1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cn1	732528862	BSQRCDVRYYFIHL-XDHOZWIPSA-N	407.901	5.078	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc2ccccc2c1	733080861	DKDJIMXZMDBERH-UHFFFAOYSA-N	407.399	5.547	30	20	HKED	
CC(=NOCc1nc(-c2ccc(C(C)C)cc2)no1)c1ccc(NC(=O)C2CC2)cc1	733191235	CQDREUHHWOMZNT-UHFFFAOYSA-N	418.497	5.149	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1	733807974	XSCXYWIYTASYMK-DENIHFKCSA-N	423.513	5.157	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	734706852	ZVFFVQVWUALUFS-CZUORRHYSA-N	400.425	5.611	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)[nH]c12	735790543	NAAGHTLTGNPGCA-SXAWMYDMSA-N	401.466	5.629	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN(Cc1cccc(C(F)(F)F)c1)C(C)C	739845788	KPASNNUTZYMEJP-UHFFFAOYSA-N	413.447	5.012	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)cc1	741681695	STQQEXHRJOSNAE-UHFFFAOYSA-N	402.498	5.194	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C\C(=O)c2c(Cl)nc3sccn23)c1	741843460	GFTWZAHAQFTUJY-HJWRWDBZSA-N	419.893	5.396	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ccc(OCC(F)(F)F)cc2)cc1OC	742352635	WBWZEYRERKSLIH-UHFFFAOYSA-N	417.811	5.239	30	20	HKED	
CCOc1cc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cc(Br)c1O	742438047	ZFLXBAOSTYZQQJ-TXEUWIOXSA-N	411.342	5.375	30	20	HKED	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	743238186	MPIMFBBZRXYDSQ-UHFFFAOYSA-N	419.456	5.639	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	744030122	ZSTJOJZSKVZUKY-NLBZTSMMSA-N	422.406	5.609	30	20	HKED	
CC(=NOCc1nc([C@@H](C)OCC(C)C)no1)c1ccc(-c2ccc(F)cc2)s1	744445392	OWGCRCQPIZMZBZ-OAHLLOKOSA-N	417.506	5.612	30	20	HKED	
CC(=O)N(c1nc(/C=C2\Cc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F	749006608	YXZGPFARWVFIIJ-NTUHNPAUSA-N	414.408	5.067	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=S)Nc1ccccc1C#N	751027592	LSXKNVUBURWHQQ-UHFFFAOYSA-N	404.539	5.255	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ccc1OC	751099165	WBYPMFCZXNTKGL-CVDCTZTESA-N	423.557	5.271	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(SC(C)(C)C)cc1C	751253251	XKXTUXLGNLLBBC-UHFFFAOYSA-N	412.555	5.564	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cccc(OCc3ccccc3OC)c2C)c1	758258040	RMXDMUGUDRBSTD-UHFFFAOYSA-N	402.519	5.373	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	760786175	OEXRKQOOYRLSQW-UHFFFAOYSA-N	414.795	5.565	30	20	HKED	
CC(=O)Nc1ccc(C(C)=NO[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc1	763172134	WMYRAIZFSKINRB-HNNXBMFYSA-N	411.889	5.764	30	20	HKED	
Cc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@H](O)c1ccc(C#N)cc1	763233615	YTZQHEAZALIKGT-VWLOTQADSA-N	422.484	5.385	30	20	HKED	
CCS[C@H](C)c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1	764614945	ICVGADIWECCZBO-CQSZACIVSA-N	412.490	5.086	30	20	HKED	
N#Cc1ccc([C@@H](O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1	764697223	AKRURZXCWVJYLV-QFIPXVFZSA-N	418.566	5.071	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3c(C)ccc(C)c3C2=O)cs1	769746923	SJPIHWSVAYWDAE-CPNJWEJPSA-N	416.546	5.965	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	774322276	YUZIWPCJXVNBQW-BZSNNMDCSA-N	424.472	5.302	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCc4c(Cl)cccc43)n2)cc1	776084635	SECYZAVMQWWDGT-MSOLQXFVSA-N	408.910	5.378	30	20	HKED	
COc1cc(C(=O)/C=C\c2cccc(Br)n2)ccc1SC(F)F	777917043	UUSSBCJZJPTXGV-SREVYHEPSA-N	400.244	5.064	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	780982530	WQULNHFNTRDJHL-LJQANCHMSA-N	405.926	5.158	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=S)NCCCCC(F)(F)F)c2)cc1	794974179	QPRYAPLUFZNDQB-UHFFFAOYSA-N	421.488	5.351	30	20	HKED	
CC(=NO[C@H](C)c1nnc(-c2ccccc2)o1)c1ccc(Br)cc1F	795246695	RJQIFNNTXIQPDT-GFCCVEGCSA-N	404.239	5.140	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCOCC1	796644785	YOHGXJQCLWIHAV-HNNXBMFYSA-N	423.365	5.746	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCC(O)CC2)cc1)=C\c1ccccc1C(F)(F)F	799891753	CCVMWKLWXKSMQM-OBCPEDFMSA-N	415.455	5.509	30	20	HKED	
C[C@H](C#N)OCCSc1nnc(-c2cccs2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	801653671	IJWQHEGBNIHCCW-NRKLIOEPSA-N	402.589	5.025	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1	806349549	QIHQYIVQNMUUAO-UHFFFAOYSA-N	421.394	5.191	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ccccc3)c(C)n2)cc1C#N	810275000	IAFINUBIPGXTPN-UHFFFAOYSA-N	415.453	5.141	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1ncc(-c2ccccc2)s1)CCCCC3	811631905	RMVRCICOPROTJG-UHFFFAOYSA-N	420.563	5.041	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cnc(Cl)c4ccccc34)cc2)ccn1	813278504	JINFYARUVBVCHF-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)cc2)cc1	815971934	SIRZTJRDANANDV-IMQCZEGASA-N	421.493	5.010	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2cnc3ccccc3n2)sc2ccc(Br)cc12	816045089	AVHLRDYQPUUIQO-CQSZACIVSA-N	422.307	5.406	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl	915086018	QWGSIMMVNLFMMX-NRFANRHFSA-N	404.897	5.575	30	20	HKED	
CSCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916906758	VJWBISOMNPIMGR-HXUWFJFHSA-N	416.502	5.303	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1	916912807	LVMABHSCXUSCRM-JOCHJYFZSA-N	402.425	5.142	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1	916948178	SKZZWHMHNWWHGT-JTSKRJEESA-N	404.510	5.073	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CSc3ccc(F)cc3C2=O)cs1	917560096	QRLWUHJZMQQEJK-OQLLNIDSSA-N	424.522	5.647	30	20	HKED	
Cc1sc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)nc1-c1cccc(Cl)c1	917850683	QQVSXRHHRQHIPB-UHFFFAOYSA-N	424.334	5.098	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1coc(-c2ccc(Cl)cc2)n1	918776157	VVQDDSJRAGNMLK-FQEVSTJZSA-N	410.857	5.013	30	20	HKED	
C=CCc1cc(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc(OC)c1OC	919711045	OHODUSNJVQXSSA-OAHLLOKOSA-N	422.550	5.355	30	20	HKED	
Cc1cc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)cc(C)c1OCc1ccccn1	920067689	BHQNNQIEETVQHR-PDGQHHTCSA-N	417.461	5.090	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1	1785800621	RWMMZLGEFBIMSC-GOSISDBHSA-N	416.512	5.324	30	20	HKED	
C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1	1790267188	HORKBDFDYRZCRY-GFCCVEGCSA-N	423.365	5.059	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(C)o3)CCC2)cc1	1791250624	XRPAJHKZYAGNMH-HVESIFNPSA-N	406.526	5.338	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCSC3)cc2)CCC1	1792286464	YJLSKSIQUGVOTM-GHTZIAJQSA-N	412.599	5.032	30	20	HKED	
C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@H](c4ccccc4)[C@H](C)CC)CC3)C2)C1	1804777348	BCRALTMCHKTGGE-QPPBQGQZSA-N	422.613	5.014	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1828822122	FDLPNPTZIXSZHQ-HGMGIVORSA-N	420.597	5.088	30	20	HKED	
COc1cccc(NC(=O)[C@@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c1	5641878	YOVADWMDVYXTBJ-NRFANRHFSA-N	403.507	5.051	30	20	HKED	
C=CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(Cl)s1	18939512	DYSVROXMFVFZPT-UHFFFAOYSA-N	423.287	5.700	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	23738740	JOLREEDTMHEMMW-UHFFFAOYSA-N	407.495	5.097	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5[nH]4)cc3)o2)c1	41494632	PTTYYJQNAQYOSA-LJQANCHMSA-N	419.444	5.078	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(COCCOc2ccccc2)c1)c1ccc(C#N)cc1	47606500	YLKWWBDQXDRRIR-IBGZPJMESA-N	415.493	5.037	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1	55569922	QFCCRZQBNWZQIM-UHFFFAOYSA-N	409.873	5.249	30	20	HKED	
CC[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1OC(F)F	60975466	ZTGTXWLJWLATQA-QHCPKHFHSA-N	422.475	5.980	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1	65680259	MRMNWCKLKZUVMH-UHFFFAOYSA-N	409.445	5.577	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1	111020762	WHVQGHBKDWAZRG-UHFFFAOYSA-N	411.914	5.423	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2sc3cccc(F)c3c2COC)cc1	111184435	ZQEQBSXJWZXPDH-UHFFFAOYSA-N	412.486	5.146	30	20	HKED	
CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)N(CCC#N)c1cc(C)cc(C)c1	303205413	PRWLKGMNDICVQZ-UHFFFAOYSA-N	419.308	5.139	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	303261009	FCKNQKYUEDPTBW-KRWDZBQOSA-N	422.579	5.163	30	20	HKED	
Cc1c([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)oc2ccccc12	409539248	VIWKPISKHNQIPD-INIZCTEOSA-N	400.434	5.276	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1	409657879	QCNRZBGNBFINDZ-LJQANCHMSA-N	400.906	5.118	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c(Cl)c1	426160934	KZOPKCGTLXINBF-GOSISDBHSA-N	407.861	5.021	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(O)c1	429119167	VGFSEFDNVDWXKS-QVKFZJNVSA-N	405.885	5.584	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1cccc(OCc2ccccc2)c1)c1ccccc1	431380413	WQJNTEYJCJNWMX-VWLOTQADSA-N	413.521	5.500	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)s1	431915762	FSUGCEGNCDMLIM-HIFRSBDPSA-N	406.349	5.306	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(C(F)(F)F)ccc2Br)c1C#N	432678924	NWVICVZPHYUKKE-UHFFFAOYSA-N	417.250	5.524	30	20	HKED	
C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1(C)C	436097521	CENTXSNVVISNOH-UIAACRFSSA-N	408.929	5.575	30	20	HKED	
CC[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1	437556997	MHJIRTGQVHEUEL-YOEHRIQHSA-N	406.473	6.089	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	438056792	SCNVVAYKZCHTHM-DYESRHJHSA-N	413.562	5.951	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1	438641141	KPESTIXRKGHJMV-UHFFFAOYSA-N	415.415	5.012	30	20	HKED	
Cc1ccsc1CCCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	439129223	QFDXFMVLCAUGDL-UHFFFAOYSA-N	414.581	5.033	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(C(=O)NC)c1C)c1ccc(C(F)(F)F)cc1	442194518	NCHLZHQHTQGHGL-LJQANCHMSA-N	419.447	5.202	30	20	HKED	
C=CCN(C(=O)CCC(F)(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	443850800	GRBYUIBLNLPDSU-UHFFFAOYSA-N	409.260	5.978	30	20	HKED	
Fc1ccccc1-c1noc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)n1	444619009	KZQLBQOZDRYUGH-OAHLLOKOSA-N	419.300	5.288	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1	460493508	KFGFPVZWSADGHJ-UHFFFAOYSA-N	416.330	5.482	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1cccc(F)c1	460960411	ROJMHBWVZLBSHH-FQEVSTJZSA-N	422.504	5.019	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(-c3ccco3)cs2)cc1C	465447441	IHMFOGWLYXXLIO-UHFFFAOYSA-N	417.494	5.049	30	20	HKED	
COc1ccc(C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1	467704086	BCUPMTGEZBKBOX-QGZVFWFLSA-N	409.555	5.358	30	20	HKED	
Cc1cc(Cl)cc2c1OCCC[C@@H]2Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469244248	NEOFKJLVVMZVEA-NRFANRHFSA-N	423.944	5.557	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2cc(Cl)ccc2o1	469253769	OQIVSTFKFVNQIZ-HNNXBMFYSA-N	407.901	5.842	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(-c2ccncc2)cc1	470001517	XKGKBGNRADQUAV-SFHVURJKSA-N	420.472	5.299	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	470510767	ZVEURJFRZUPWHB-INIZCTEOSA-N	411.958	5.922	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3cccc(F)c3)c3cccc(Cl)c3)o2)c1	471641817	HAJPJRCWUJKCIU-QFIPXVFZSA-N	418.859	5.280	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1	476177559	XSXCYSKLQDKYAX-UHFFFAOYSA-N	424.467	5.324	30	20	HKED	
C=CCn1c(SCc2nc([C@@H](C)SCC)no2)nnc1-c1ccc(Cl)cc1	481372468	OVJPQNIASOZZFX-GFCCVEGCSA-N	421.979	5.274	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[C@@H]1C(F)(F)F	482040243	JVCNSUGVBHPNLY-FQEVSTJZSA-N	416.443	5.188	30	20	HKED	
Cc1ccc(CN(C)C)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	482611145	URMBYPYZLLQRCL-UHFFFAOYSA-N	419.912	5.626	30	20	HKED	
CC(C)(C)[C@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	482934609	VRZTVFISDAWDRJ-NZQKXSOJSA-N	421.541	5.047	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nccc2ccccc12	483235439	LYCVZFIQSFUVJQ-FQEVSTJZSA-N	400.384	5.795	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(F)c(F)c1	483306538	UPKRAWINRZXOSA-NHCUHLMSSA-N	410.468	5.313	30	20	HKED	
CC(C)(C)[C@H](NC(=O)CSc1nc(C(F)(F)F)ccc1C#N)c1cccs1	488783714	PGUMGKCBAIUALJ-OAHLLOKOSA-N	413.490	5.029	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	491999463	NARLUFVHDKEAFM-CYBMUJFWSA-N	414.252	5.130	30	20	HKED	
N#Cc1cccc(CNC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1	496673921	VAEDLVVXEUXWIY-QHCPKHFHSA-N	406.938	5.351	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccccc1Br)c1c(Cl)cccc1Cl	499867227	ZYFHCWGSNSSXMM-HNNXBMFYSA-N	412.114	5.070	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCC3CCC(F)(F)CC3)c2)cc1	502163225	SHBQRALWXACQME-UHFFFAOYSA-N	413.468	5.279	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NCC2CCCC2)cc1	503216829	MQMYXUIQYCGYES-KRWDZBQOSA-N	408.571	6.327	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(CC(C)C)no3)n2)o1	504540109	UVPWKNSFMTYZSC-UHFFFAOYSA-N	422.432	5.414	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)n1	505294819	ZWFLHGLOKYKADW-MRXNPFEDSA-N	418.453	5.161	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)c1ccccc1	507470947	OHCHEYLWDYLKSP-AZUAARDMSA-N	407.539	5.087	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511544765	DQYIRBPNYBZBKI-HXUWFJFHSA-N	421.438	5.559	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@H](C)c2ccc(C#N)cc2F)on1	512287540	IJMDGUFHRZVFFC-OAHLLOKOSA-N	401.441	5.365	30	20	HKED	
N#CC[C@H](CC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)c1ccccc1	512358547	SUANVLJLOAAGGV-DYESRHJHSA-N	404.407	5.190	30	20	HKED	
CCN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H](C)c1cc2ccccc2o1	513109346	YAMMJGCIQORLHX-HNNXBMFYSA-N	417.444	5.244	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCCSc3ccccc32)c1	513119514	ZLZCSADMAIMMLT-UHFFFAOYSA-N	400.503	5.280	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)COc2ccccc2-c2ccccc2)cc1	518177193	FOHUQTWGRDMSEW-UHFFFAOYSA-N	400.478	5.078	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4oc5ccccc5c4c3)cc2)nc1	520326262	WAZFHPDGIPMNQZ-UHFFFAOYSA-N	405.413	5.897	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1cccc(Oc2ccccc2)c1	520826250	HZIKLAJKEGKWHH-GOSISDBHSA-N	417.534	5.781	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1	520926134	OTWSGPSCNDLUJR-NSHDSACASA-N	401.340	5.188	30	20	HKED	
C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521082972	KLAORJFOESOLLV-KBMIEXCESA-N	412.489	5.147	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1	521796253	ASGPLZCNMHANBL-HNNXBMFYSA-N	410.930	5.231	30	20	HKED	
N#C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C1CCCCC1	522333383	UACKUJKNDWLPQO-NRFANRHFSA-N	406.530	5.697	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1	522702013	BRUKEZBZPLTPKW-HNNXBMFYSA-N	419.447	5.236	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2ccccc2n1	524665287	QTCCTVDTCADPSO-UHFFFAOYSA-N	413.864	5.829	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccc(OC)cc1	525434412	YCUCASLNBLABTF-MRXNPFEDSA-N	418.522	5.648	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(C(F)(F)F)CC1	534126298	FMJMXZJTKXIHMW-SECBINFHSA-N	409.292	5.174	30	20	HKED	
Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cccc1-c1ccccn1	535092105	UBSHCECBJRFSBL-UHFFFAOYSA-N	419.484	5.760	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(CC)[C@H](c1cccnc1)c1csc2ccccc12)OCC	535212751	VXNFXMGLMVVSHX-ZJSXRUAMSA-N	408.567	5.606	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	537564546	YSAHRRYSPRRXLK-OAHLLOKOSA-N	408.317	5.078	30	20	HKED	
COc1cc(CNC(C)(C)c2ccc(F)c(F)c2)ccc1OCc1cccc(C#N)c1	538238610	CLPZKZPTGNDQSF-UHFFFAOYSA-N	422.475	5.449	30	20	HKED	
CC(C)[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	540358743	KMRGPOBSNJPLQM-IBGZPJMESA-N	400.404	5.114	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1	541177431	ODGOTCRMHYFEJC-IAGOWNOFSA-N	422.525	5.180	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2ncc(Br)s2)cc1	542151125	PYVWHDJUKOYSFG-UHFFFAOYSA-N	416.319	5.119	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)nc1	543461975	AVTWWXJHPUEVLW-UHFFFAOYSA-N	417.387	5.515	30	20	HKED	
C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(-c2cccc(C#N)c2)cc1	543859010	HAUATYLCEILZEB-QGZVFWFLSA-N	424.529	5.164	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)cc1	544221190	NZPHLPMVHQTNOC-REWPJTCUSA-N	418.585	5.172	30	20	HKED	
C=CCn1c(SCCCc2ccncc2)nnc1-c1ccc(Br)cc1	545126819	LWGDNJXQDYXJLN-UHFFFAOYSA-N	415.360	5.014	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1	549294728	HKFIUKFQWFQEMY-DKERFCRFSA-N	406.570	5.340	30	20	HKED	
CO[C@@H](CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	549570604	BAPVZSBRJHEORI-LPHOPBHVSA-N	400.569	5.140	30	20	HKED	
CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1	555837705	FVGOVCWVUFFAKN-UHFFFAOYSA-N	411.933	5.056	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2	557060391	OALLEPNUXBLRQM-QFIPXVFZSA-N	412.489	5.123	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CN2CCCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	558183438	SWKGOSJDLIQIBH-HXUWFJFHSA-N	421.953	5.549	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1ccccc1Oc1cccnc1	558754600	BVWYXMRQRDPBIM-UHFFFAOYSA-N	401.853	5.071	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCCc4c(F)cc(F)cc43)cc2)cc1	561840690	YJBAEQFILGNWMO-UHFFFAOYSA-N	404.416	5.416	30	20	HKED	
CC[C@H](NCc1cc(F)c(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1	572509555	PFYDKIMYHGXNKF-NSHDSACASA-N	404.326	5.700	30	20	HKED	
CC#CCCCc1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1	573287012	VNCHUHIFSBWEAQ-UHFFFAOYSA-N	412.287	5.341	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCCc2cnc(SC3CCCC3)nc2)CC1	574224688	RWRZGLRDQYXAHW-UHFFFAOYSA-N	406.599	5.048	30	20	HKED	
COc1cccc([C@H](CNc2snc(C)c2C#N)c2c[nH]c3ccccc23)c1OC	574923936	JEGYQDVBRSPMME-IBGZPJMESA-N	418.522	5.066	30	20	HKED	
N#CCc1ccccc1NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1	580738521	PPBWBYNSSUEIJP-UHFFFAOYSA-N	402.397	5.632	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c1	589382463	DUNQASYQOPCOIO-UHFFFAOYSA-N	424.522	5.343	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	591862277	MZWJOJBXKSGVRW-MRXNPFEDSA-N	423.419	5.867	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1COc1ccccc1)c1nc2cc(F)ccc2s1	592973251	BGHCSTMZBBREGT-LJQANCHMSA-N	402.450	5.504	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccccc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	605050886	IUTZZGZJOIQJPY-LLVKDONJSA-N	422.291	5.206	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1	608895854	BOVHXGVEFKPEPK-UHFFFAOYSA-N	419.506	5.725	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(Cc1ccco1)c1ccccc1C#N	608897370	YXTZZMRIYJKDHA-OAHLLOKOSA-N	414.383	5.171	30	20	HKED	
COc1ccc(CCN(Cc2ccccc2)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	608918451	WUCZQXFEJURQIL-HXUWFJFHSA-N	413.521	5.082	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1	609083188	ZWRBTGOKLQPBHZ-UHFFFAOYSA-N	411.408	5.295	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1SC(C)C	609209494	ILBSBTRHOJYSKS-UHFFFAOYSA-N	417.962	5.393	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	609434901	ZGAQABYCUNYWHT-INIZCTEOSA-N	407.539	6.053	30	20	HKED	
CCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1	609436335	ZIYBKJJMNGVRKP-HTAPYJJXSA-N	423.582	5.095	30	20	HKED	
COc1cc(CSCc2nc(CC(C)C)no2)ccc1OCc1cccc(C#N)c1	609741074	CNGIDCJPWYQYFH-UHFFFAOYSA-N	423.538	5.161	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1	609784923	OIZPKKVFCKRWPO-UHFFFAOYSA-N	407.813	5.093	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N(CC(F)(F)F)c2ccccc2)cc1	609786483	ZPVZATGYKQAQOR-UHFFFAOYSA-N	410.395	5.346	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccccc4F)CC3)cc2F)c1	609857800	ZQIOFFZBOLYYBD-UHFFFAOYSA-N	404.416	5.086	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1	609928062	JGTNHTLGYRZZIS-LJQANCHMSA-N	415.468	5.586	30	20	HKED	
CC[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(OC)cc1	609961694	GZXNJDOVHODYAE-OAQYLSRUSA-N	403.507	5.138	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	609968486	JRISNLVMZZGEQM-SFHVURJKSA-N	404.460	5.244	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	609969353	QLNXAIRLLAAWIS-GOSISDBHSA-N	402.469	5.288	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	610224390	OMCVQDHGVOQGFI-LJQANCHMSA-N	405.841	5.464	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1cccc(C#N)c1	610406561	DMHYVVQBDIJRII-CQSZACIVSA-N	408.889	5.003	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1	610973124	APXKYUMDAIFJLQ-UHFFFAOYSA-N	422.872	5.071	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1C(F)(F)F	611095477	HZFPDQPMSCKXPH-UHFFFAOYSA-N	423.822	5.306	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CN[C@H](C)c4cccc(C#N)c4)nc(O)c23)cc1	611388511	IXGUKFISXFVGEP-OAHLLOKOSA-N	414.534	5.403	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@H]1F	611503459	FKADSJKBPZPVDT-IFXJQAMLSA-N	401.869	5.002	30	20	HKED	
N#CCN1CCC(N[C@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)CC1	611519326	VNABLKBFVHNNAD-FQEVSTJZSA-N	407.867	5.026	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc2ccccc2n1	613290815	MTCOBEHEWGUTGB-KRWDZBQOSA-N	412.470	5.225	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C34CC(c5ccccc5)(C3)C4)c2)cc1	616236211	KEQHINYSQQWEBZ-UHFFFAOYSA-N	408.501	5.392	30	20	HKED	
Cc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[nH]c1C(F)(F)F	618486204	MRZWTLVNNUPKTQ-UHFFFAOYSA-N	405.220	5.027	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1Cl	619787572	CKGPTFUKXWFEMC-UHFFFAOYSA-N	402.841	5.197	30	20	HKED	
N#C[C@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc(Cl)cc1	619864088	PGZWFVXGBVDNJC-WBVHZDCISA-N	416.959	5.196	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1SCC(F)(F)F	672623675	WXEQWOJPDZIROW-UHFFFAOYSA-N	414.449	5.037	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Oc4ccccc4Cl)cc3)nc12	674299379	MYSCYVMOQGHIRB-MRXNPFEDSA-N	402.841	5.202	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1c(F)c(F)cc(F)c1F	674651588	JCYPWTXCGKINEL-SECBINFHSA-N	408.317	5.164	30	20	HKED	
N#C[C@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1ccc2ccccc2n1	676591635	WZYKEYMDWVGSIN-FQEVSTJZSA-N	407.404	5.672	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCOc2ccc(OCC)cc21	681542135	RCEDWOSHBYAYBB-QGZVFWFLSA-N	406.935	5.022	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=S)Nc1ccc(C#N)c(Cl)c1	726484336	KBKDADBKOJFJFM-UHFFFAOYSA-N	411.880	5.838	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)o1	726627899	VTPCAGPNYSXGLQ-GSAIQRRHSA-N	400.912	5.334	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4sc(C)nc4C)c23)cc1	726736869	XEXUZWIRXZYEFS-UHFFFAOYSA-N	409.540	5.276	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc3c(c2)OCCCO3)cc1	727274891	IDAMSRFGOYRGFW-NRFANRHFSA-N	415.518	5.312	30	20	HKED	
CC[C@@H](C)n1c(SCC(=O)O[C@@H](C)c2cccc(C#N)c2)nnc1-c1ccccc1	727636826	ZFQHINQKHDWLDM-SJORKVTESA-N	420.538	5.184	30	20	HKED	
N#CCc1ccc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cc1	728151474	FZGRRZKJOPZGIJ-UHFFFAOYSA-N	416.480	6.252	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2ccccc2o1	730398804	NVMKMSUSWDZQCV-PGRDOPGGSA-N	402.450	5.677	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	730689725	KJASNGCXEDYUDC-RISCZKNCSA-N	422.262	5.793	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c1	733801513	QYARHHHHRREYSU-IFMALSPDSA-N	411.933	5.362	30	20	HKED	
N#CCOc1ccc(Cl)cc1CS[C@@H](C(=O)N1CCCCC1)c1ccccc1	735320289	PKXLUFRPQRRIEE-OAQYLSRUSA-N	414.958	5.229	30	20	HKED	
CC(=NNc1c(F)cc(F)cc1Br)c1[nH]c(-c2ccccc2)nc1C	741772309	RWTHHYCKSZUSFU-UHFFFAOYSA-N	405.246	5.262	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1	743191700	JTZNVHSPLJKQSF-UHFFFAOYSA-N	418.884	5.619	30	20	HKED	
CN(CCc1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	743237604	CTDNNOVQYBPHTC-UHFFFAOYSA-N	407.420	5.335	30	20	HKED	
CCCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	744060822	CGOYUKUJUFJQEF-OAQYLSRUSA-N	415.518	5.280	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744073841	HAPVKWMZTYDIMP-XJKSGUPXSA-N	414.452	5.673	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Cl)c1	744074630	NQQZHQMWGLVFGC-BXUZGUMPSA-N	402.853	5.722	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1NC(=O)OC(C)(C)C	744161350	SUARQPBXQLHNTG-MRXNPFEDSA-N	404.470	5.017	30	20	HKED	
CC(C)Oc1ccccc1C=NO[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1	744442811	FIZMBWKOPVSZSL-CQSZACIVSA-N	419.403	5.654	30	20	HKED	
N#C[C@H](C(=O)[C@@H](c1ccccc1)n1cccn1)c1nc(-c2ccc(Cl)cc2)cs1	750668184	PAIVLXUWYUEZGD-UYAOXDASSA-N	418.909	5.126	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1OC(F)F	753395801	PQSWOQJORUXVOS-ZDRDQBANSA-N	420.415	5.192	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1	754481216	WWTWDXWWBLXHBX-IBGZPJMESA-N	408.502	5.509	30	20	HKED	
Cc1nc2ccc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)cc2s1	754914172	PQHWPDDJVFRUBU-UHFFFAOYSA-N	420.350	5.341	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	760786738	VXJDUINWKLCPJB-UHFFFAOYSA-N	421.815	5.298	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c1	770396721	YFLZSXQARCTPKD-XMSQKQJNSA-N	413.468	5.083	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(CCOCc4ccccc4)CC3)n2)cc1	770848414	UXIUWOMUINMVPA-OAQYLSRUSA-N	416.546	5.682	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1	771442324	GAEDPPXMOKOZIH-VWLOTQADSA-N	410.521	5.224	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1	772235331	DEQXCFXWLMVCNU-QLBJFCOMSA-N	411.505	5.241	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](c2ccccn2)c2ccccc2OC)cc1	773114670	CWSQZTAQMANITE-MHECFPHRSA-N	408.929	5.662	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(Cl)c(N)c(Cl)c2)ccc1OC	774450896	VRCBTOHDVKQMQU-IUODEOHRSA-N	408.329	5.116	30	20	HKED	
CCOc1cccc2cc([C@H](C)NCc3ccc(OC)c(O[C@H](C#N)CC)c3)oc12	776164889	KYOOGHDEBDTMJP-LPHOPBHVSA-N	408.498	5.372	30	20	HKED	
Cn1c(Cl)nc(Cl)c1CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	779596145	SQVNBIODHOJNMG-UHFFFAOYSA-N	421.715	5.443	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)CCC2	780118668	RIDLCZBKJQQZSX-SFHVURJKSA-N	405.548	5.282	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	780677268	UYANPKXLXQNRCO-QRQCRPRQSA-N	423.875	5.681	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccc(C)cc2C)s1)c1ccccc1	787042262	VOPUWROWRAIYSG-WOJBJXKFSA-N	417.534	5.017	30	20	HKED	
CC(C)(CCC#N)COC(=O)c1cc(Oc2cccc(Br)c2)ccn1	798879346	NGIYIRRZLSSWAR-UHFFFAOYSA-N	403.276	5.123	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1	801755009	NPZWOIQQCCPBQK-XMMPIXPASA-N	415.578	5.307	30	20	HKED	
C=CCOc1ccc(CNC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)cc1	806368061	UCGLQGMQGANWGH-UHFFFAOYSA-N	411.502	5.229	30	20	HKED	
CC(/C=C\C(=O)c1ccc(C(F)(F)F)nc1O)=C\c1cccc(C(F)(F)F)c1	806571104	DCTUHQAEEICGDM-BABZSUFTSA-N	401.306	5.667	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(C#N)ccc2Cl)cc1	808779259	CEVJTSXUIPGERV-ZDUSSCGKSA-N	400.862	5.017	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)ccn1	811707805	JDGKTDNWOLAGDZ-UHFFFAOYSA-N	414.412	5.573	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1cc(C(F)(F)F)ccn1	813218371	VGHUHAPNPFOQLK-CSHXORCISA-N	400.400	5.311	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3cccc(C(F)(F)F)n3)s2)cc1	814853828	XFMOFMTXQANATC-UHFFFAOYSA-N	406.433	5.377	30	20	HKED	
N#C[C@H](C(=O)COc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	916650448	PTEPTTICLUJTGU-LJQANCHMSA-N	418.905	5.872	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916681835	ZLLQXGJHZVQGCE-JOCHJYFZSA-N	423.438	6.025	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@@H](C#N)c1nc2ccccc2s1	916847593	KVWTZVQLQNRJJI-OAHLLOKOSA-N	419.575	6.131	30	20	HKED	
CN(C)c1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)cc1	918034464	PSCNBQLTRIXPMP-AREMUKBSSA-N	424.548	5.605	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3cccc(OC(F)F)c3)cs2)cc1	920064480	UEYZBFYZEBUOQR-YHYXMXQVSA-N	417.433	5.228	30	20	HKED	
COc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)ccc1OCc1ccc(Cl)cc1	920832018	ASOXAHLFXZCUIZ-XFFZJAGNSA-N	410.901	5.174	30	20	HKED	
Fc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)ccc1Cl	921256842	BBSFPCPSBXLIOC-UHFFFAOYSA-N	401.681	5.215	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)cc1C#N	1354043150	VXPBPPNTVICEPL-UHFFFAOYSA-N	421.547	5.401	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C	1801829680	SISDXQLXFKMVIE-LRSLUSHPSA-N	402.623	5.390	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(CC)cc2)cc1	10167633	AABBQOFHSSCSQL-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1	15234570	DEFNMQSRBYZDGS-HNNXBMFYSA-N	407.524	5.610	30	20	HKED	
Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)c1	21681609	UKKMXMWQJSQYHP-MRXNPFEDSA-N	423.567	5.018	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)c4ccc(C#N)cc4)cc3)o2)c1	26128439	YXRHENLWYIUWHX-KRWDZBQOSA-N	408.461	5.075	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1	28373682	ZHTWZXBDCRATJX-DEOSSOPVSA-N	413.521	5.678	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1CCC[C@@H](C(F)(F)F)C1	44525660	GTJLNFVVHOSAGT-DTWKUNHWSA-N	403.294	5.197	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1	56756985	JXKZHPZIAUEPJV-SFHVURJKSA-N	417.509	5.472	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccoc1C	60384051	UVIMZTIKTRCSOL-RDJZCZTQSA-N	424.570	5.665	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1OC	213936405	ZFLFXYOPAMHORS-YFHOEESVSA-N	421.415	5.161	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3csc(-c4ccc(C(C)C)cc4)n3)nc12	429598370	PZHBXWACVLASCR-INIZCTEOSA-N	401.495	5.003	30	20	HKED	
COc1cc([C@@H](C)NC(=O)c2cccc(SCC#N)c2)ccc1OC1CCCC1	429956557	VXNISBIIHIXKDG-MRXNPFEDSA-N	410.539	5.123	30	20	HKED	
O=C(NC[C@H]1CCC(F)(F)C1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	432465936	RIBZRHRGDCTTCG-JOYOIKCWSA-N	404.301	5.043	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@H](c1cc(F)ccc1F)C(F)F	433621678	LGXDORAWSPZCBN-LSDHHAIUSA-N	408.317	5.264	30	20	HKED	
CC1(C)Cc2ccc(Cl)c(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2O1	435332763	MLXNULJSFOKUHB-HKUYNNGSSA-N	409.917	5.357	30	20	HKED	
CC(C)(C#N)CCCC[S@@](=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1	436113516	VPMPFQQBNRCISV-GDLZYMKVSA-N	405.567	5.508	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N1CCC(C#N)CC1	438707928	FJKWSZHRZMYNQT-UHFFFAOYSA-N	419.504	5.499	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1F	440934724	SNFGDADJGJSNDB-UHFFFAOYSA-N	411.477	5.387	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N(C)[C@@H](C)CC#N	444394997	FVJTXIAUFYRXBN-INIZCTEOSA-N	407.493	5.498	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccccc2NCc2ccc(Cl)cc2)c1	462838640	LCLWBQMZUQSHFO-UHFFFAOYSA-N	407.926	5.820	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1	466060948	DRKHVHSDNJUXJX-YKSBVNFPSA-N	413.477	5.250	30	20	HKED	
Cc1ccc(CC[C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	466207777	NJDKQOPVIQIPNZ-GOSISDBHSA-N	419.500	5.332	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	469028241	QHYSQZGJQIGRQJ-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469081633	PHSFIMQELQRUEV-OAHLLOKOSA-N	410.587	5.505	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCOCc3ccccc32)c1	470639922	VQVDNIKVPRMEQD-UHFFFAOYSA-N	404.853	5.181	30	20	HKED	
O=C(Cc1cccc(F)c1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474273445	LMSVSTBFMFTJFK-CQSZACIVSA-N	411.292	5.336	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc(Cc2ccccc2F)s1	476510570	DGCRYNACZJQZPC-CQSZACIVSA-N	411.527	5.520	30	20	HKED	
CC(C)N(Cc1ccccc1F)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479197348	VCUZRWZSDCHZSS-UHFFFAOYSA-N	409.505	5.008	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1Cl	479539175	DEOFPCXLMUOSCI-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[C@H]1C(F)(F)F	482064441	WKDALLWPFLCUDX-LJQANCHMSA-N	402.416	5.401	30	20	HKED	
C=CCN(C(=O)c1cscn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	482276268	ZVZCPXTZMIRPED-UHFFFAOYSA-N	403.532	5.766	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ncccc3Br)c2C#N)C1	483108063	XYNNSQWMYRRLMF-NSHDSACASA-N	418.360	5.181	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](c1ccco1)c1ccccc1OC)c1ccc(F)c(F)c1	483192955	HHWMALKECNMTQC-YADHBBJMSA-N	412.436	5.272	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CCCC#N)c1ccccc1	487571066	WCPZLHCILLSECM-NQIIRXRSSA-N	413.359	5.569	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@]2(c2ccccc2)C(F)(F)F)c1	490939207	FIXUBZPBQUYXJQ-QFIPXVFZSA-N	416.443	5.188	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1	494104632	DXFBPQYSQNCKDR-UHFFFAOYSA-N	416.197	5.009	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	494635221	IZQWJLOOXVGAAG-BXKDBHETSA-N	422.316	5.312	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cc(-c2cccc(Cl)c2)no1	499378791	SCEQYYQGPQXRIS-UHFFFAOYSA-N	403.825	5.307	30	20	HKED	
N#Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)ccc1Cl	505083969	PYKMWWIBCGGLGG-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	505716151	DJXSSLSVDPBITB-OAQYLSRUSA-N	420.497	5.542	30	20	HKED	
C[C@H](SCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	505923094	PSLXEMYWZCTPJF-GTNSWQLSSA-N	419.337	5.045	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCO[C@H](c2ccsc2)C1	508791633	BSRWNVWUFMWIEY-KRWDZBQOSA-N	421.353	5.077	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509295408	UKMZXAZUKQJYFN-HOTGVXAUSA-N	407.329	5.672	30	20	HKED	
CCCN(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509900311	QZXSAJNYBWNTKZ-UHFFFAOYSA-N	413.521	5.776	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)cc1Cl	510021818	AKMBNTFMAZGDGQ-ISKFKSNPSA-N	415.924	6.364	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)sc2c1CCCC2	510181503	ACGBOWYZPABPSZ-UHFFFAOYSA-N	409.898	5.592	30	20	HKED	
CCN(C(=O)Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)cc1)c1ccccc1	512276968	BDQGAQWQYIYBLP-SFHVURJKSA-N	401.485	5.466	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)cs1	518151778	XCMIWNAEZZCIKW-OAHLLOKOSA-N	423.563	5.535	30	20	HKED	
C[C@@H]1CCc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2C1	518515485	QJZWLNNHGGDOFX-CXAGYDPISA-N	403.532	5.358	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1C	518751056	BTMAMQHHAQAOAY-GOSISDBHSA-N	408.571	5.052	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	519914332	UZWVBXBXMARPNJ-GOSISDBHSA-N	415.493	5.223	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccc(OC(F)F)cc3)c2)cc1	520635522	ZQFCFATWPMXMLD-UHFFFAOYSA-N	409.392	5.003	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCc2ccc(F)cc21	520743320	XMTOVBYTXWOKHG-QHCPKHFHSA-N	401.441	5.607	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC	520844026	CQTIJGIJECTRCT-VWLOTQADSA-N	411.505	5.054	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2ccc(F)cc21	521608730	BMGCRUJCVOZYJV-LJQANCHMSA-N	421.285	5.112	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(c1ccccc1)c1ccccc1	521810654	YDSJSLIMSDRVRY-IBGZPJMESA-N	415.562	6.034	30	20	HKED	
CCC(CC)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccs1	521952171	IGPPAOMPIYGFSE-JOCHJYFZSA-N	405.523	5.714	30	20	HKED	
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	521959549	HOYXUUNOFOBWTF-HNNXBMFYSA-N	405.420	5.332	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(COc3cccc(C#N)c3)c1)CCC2	522304012	JVBAAHLVOIIVHV-JOCHJYFZSA-N	417.534	5.052	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(C)=O)c1	523341152	INKQJNGOYAHGNS-UHFFFAOYSA-N	405.267	5.011	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CC(c3cccc(F)c3)C2)cc1	523676630	UZLSAYBLBKBPLL-UHFFFAOYSA-N	416.471	5.559	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1	524096981	TYSMZLKMPUNCTR-DEOSSOPVSA-N	412.489	5.123	30	20	HKED	
CC(=O)N(c1nc(CSc2ccc(C#N)cc2Cl)cs1)c1ccccc1F	532856673	ZRPHVZPDFRLNAG-UHFFFAOYSA-N	417.918	5.784	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1	532897845	WFJOMVQXCAVJKG-UHFFFAOYSA-N	409.873	5.480	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1	535388208	LBRVTSRDNBCNEJ-UHFFFAOYSA-N	418.522	5.255	30	20	HKED	
Cn1cc(-c2ccccc2CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cn1	535485552	XSNCKJRSIVOBRO-UHFFFAOYSA-N	423.476	5.073	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccc2ncccc12	535552886	FXGKKAGEQDSNCV-UHFFFAOYSA-N	413.864	5.829	30	20	HKED	
CCN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(C#N)c(Cl)c1	539174764	ADCZSHCPAOCWKP-UHFFFAOYSA-N	403.869	5.131	30	20	HKED	
C=CCCOCCCCC(=O)N(c1ccccc1)c1ncccc1Br	539512788	UCIXPNKUFCHLKI-UHFFFAOYSA-N	403.320	5.272	30	20	HKED	
C[C@@H](N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(C#N)c(F)c1	539611416	NUXGFCUMNBXGGN-MWTRTKDXSA-N	402.448	5.278	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	540562162	ASWYLUYYWKIGDW-GOSISDBHSA-N	408.527	5.175	30	20	HKED	
Cc1ccc([C@H]2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)C2)cc1	544235593	GMGSVYDUWPFASL-QFIPXVFZSA-N	424.504	5.140	30	20	HKED	
Cc1cc(C)c(-c2csc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)n2)cc1C	550470718	OJCXHSLKYQDQKS-UHFFFAOYSA-N	416.428	5.273	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)C1	560620234	AFTPIXHISBKSMH-MVWJERBFSA-N	407.276	5.404	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nnc1N(Cc1ccco1)Cc1cccs1	564375427	DGSUPUSFWTXCSH-UHFFFAOYSA-N	406.511	5.001	30	20	HKED	
Cc1cccc(CN(Cc2cccc(C)n2)Cc2ccc(C#N)cc2C(F)(F)F)n1	565110064	XVTANPCFTUJSLR-UHFFFAOYSA-N	410.443	5.186	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)CC2	566944575	UBNKEUNUWSCPLT-DHIUTWEWSA-N	418.338	5.277	30	20	HKED	
N#Cc1cc(OCc2nnc(-c3c(Cl)cccc3Cl)o2)ccc1C(F)(F)F	589270608	HMZDOHZRUGDQHN-UHFFFAOYSA-N	414.170	5.513	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccc2ccccc2n1	592975344	BSARDYXFFACSQW-QGZVFWFLSA-N	420.440	6.055	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1	603970250	ZCVLXQWBRXGVNN-NRFANRHFSA-N	400.482	5.300	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(NC2CCCCC2)cc1	604539281	HWSSAICHIQRXCC-UHFFFAOYSA-N	407.514	5.109	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2)cc1	607275143	ZGZPFFSTZSJQIH-LJQANCHMSA-N	412.449	5.541	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608782279	JGFQJHORYSZNED-VXGBXAGGSA-N	424.389	5.146	30	20	HKED	
Cc1csc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	609047050	RBLDYLNFRISGTA-KDOFPFPSSA-N	410.930	5.643	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCc2ccccc2C1	609080469	YOMDUYIFHSTGMW-HSZRJFAPSA-N	411.505	5.125	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(SCc2ccccc2)cc1	609376776	JLSLYXRHCLBDCE-GOSISDBHSA-N	418.587	6.483	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(F)c(Br)c1	609401342	HBSXBXRFBUTYCP-CQSZACIVSA-N	418.310	5.141	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1nc2ccccc2s1	609402869	FZLPJARUXVMAGK-LSDHHAIUSA-N	410.568	5.773	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1	609573034	RHWULDFVHPMUIB-HNNXBMFYSA-N	423.904	5.664	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H](C)c1cccc(O)c1	609844764	SBXUZHNIRHUIGE-KRWDZBQOSA-N	401.466	5.671	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N	609930018	UFZFFBASEUWAJJ-MDOVXXIYSA-N	417.962	5.489	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cc2coc3ccc4ccccc4c23)c1C	610054594	UYWQELYTWRJFNT-UHFFFAOYSA-N	420.472	5.441	30	20	HKED	
Cn1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C(F)F	611160286	LZEDNBDSBUCDFH-HNNXBMFYSA-N	415.831	5.311	30	20	HKED	
Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cnc1N1CCCC[C@@H]1C	611566771	WORYQCZLGPEYKY-ZDUSSCGKSA-N	403.313	5.200	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC(F)F)c(OC)c1	613344650	JYOGDNMVXBIWAX-UHFFFAOYSA-N	402.850	5.232	30	20	HKED	
C[C@H](CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1	619694692	CRSMVOPBNPXZMI-WXHSDQCUSA-N	414.365	5.138	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@H]1c1cn(C(C)(C)C)nc1-c1cccc(OC)c1	639404725	QFZRVAXLFBUTJH-HSZRJFAPSA-N	416.525	5.066	30	20	HKED	
O=C(Nc1cccc(CCC(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674696455	ACZXADYFBNDCPY-RYUDHWBXSA-N	422.291	5.386	30	20	HKED	
O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CC(CC(F)(F)F)C1	675375025	DENGPFBEVSIHEU-UHFFFAOYSA-N	405.313	5.536	30	20	HKED	
O=C(c1ccccc1CCC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	677520836	HLTVZUVXUKZPJG-VXGBXAGGSA-N	421.303	5.384	30	20	HKED	
C[C@@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(OC(F)F)cc1OC(F)F	678594633	DVJFAKTZKSQOHY-SSDOTTSWSA-N	415.280	5.297	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c1	726468786	HOFSTWLQMKHAJJ-OAHLLOKOSA-N	411.958	5.145	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)sc1-c1cccc(Cl)c1	726733431	YJILJYRVMNHSLY-QGZVFWFLSA-N	400.931	5.148	30	20	HKED	
CC(=NNc1ccc(OCC(F)(F)F)cc1)c1sc(-c2cccnc2)nc1C	727257948	LSRBUOYJHBZESD-UHFFFAOYSA-N	406.433	5.291	30	20	HKED	
N#CCCCOc1cccc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)c1	727780347	LWZKCTAGEZBKDX-RIYZIHGNSA-N	400.247	5.093	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4cc(Cl)ccc34)n2)cc1	727955586	IBBSHCVTEKJBAI-SFHVURJKSA-N	421.909	5.372	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3c(Cl)nc4ccccn34)s2)cc1	727975386	SSFXDLKRIRTSAU-KHPPLWFESA-N	409.898	5.324	30	20	HKED	
C#Cc1cccc(N(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)C(C)C)c1	728247513	GJASVVJOQNSAMS-UHFFFAOYSA-N	402.108	5.732	30	20	HKED	
CC(=NNc1ccc(Br)cc1F)c1cnn(-c2ccc(F)cc2)c1C	728432277	MEVWTIICWNPHBQ-UHFFFAOYSA-N	405.246	5.058	30	20	HKED	
O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1ccc(OC(F)F)cc1OC(F)F	730572890	TVSODBDIHGWEDD-TWGQIWQCSA-N	420.362	5.030	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)cc1	731985088	VBUHOHQRTKBMDR-UHFFFAOYSA-N	408.910	5.575	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc(OCCCC(=O)O)cc2)ccc1Oc1cccnc1	732713376	AWIICJPYASDJTN-SDQBBNPISA-N	417.461	5.322	30	20	HKED	
Cc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	734965514	MAZLJULHJZSGFW-CJNGLKHVSA-N	402.441	5.994	30	20	HKED	
CC[C@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C)cc1	738690765	PPFZOPORFYTUFV-LJQANCHMSA-N	402.494	5.173	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C)cs1	743097823	XOIIKBFDWNHODP-NZQKXSOJSA-N	404.539	5.554	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(OC3CCCC3)c(F)c2)cc1	743484959	UQTCANJLALZFIX-GOSISDBHSA-N	409.505	5.203	30	20	HKED	
COc1ccc(CNC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	745724274	ODBYZNKUHARDSB-UHFFFAOYSA-N	419.525	5.096	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)co2)cc1	745931468	XNBDGSRWTHYJHY-DEOSSOPVSA-N	422.488	5.627	30	20	HKED	
C=CCCCC(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1	748234820	HMTVZNJOWGDUKR-UHFFFAOYSA-N	412.433	5.246	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](CCO)c1cccs1)c1ccc(C(F)(F)F)cc1	750311882	BGIZZVXRTNUWLQ-SJORKVTESA-N	412.477	5.197	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)C1	753912963	IWENYCINGDRQIN-UUKMXZOPSA-N	420.509	5.110	30	20	HKED	
COc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)c1	754530899	FSVQYBSNLLKNOF-HXUWFJFHSA-N	420.534	5.335	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccncc1	758780997	VSRGIFLPZVAALN-YADHBBJMSA-N	409.892	5.580	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3Br)c2C#N)C1	759055277	KYXMRBGLOYZLOB-NSHDSACASA-N	418.360	5.181	30	20	HKED	
C[C@H](O)C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	759495277	NMQSZNYXIZZTQQ-CYSDGLOUSA-N	413.521	5.018	30	20	HKED	
COc1ccc2c(c1)OC[C@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	760969653	PLINAQSZWYOADR-RDTXWAMCSA-N	424.909	5.215	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(C#N)s3)c2)s1	762442877	LFCHZPMGDXFHEX-KBXRYBNXSA-N	400.484	5.345	30	20	HKED	
CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	763726321	WHKFKFFWAJIQDD-HXUWFJFHSA-N	407.876	5.798	30	20	HKED	
COC(=O)c1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	767728700	GEMSVMGLASWQJD-ZROIWOOFSA-N	419.864	5.275	30	20	HKED	
CCCOc1ccc2[nH]cc(C=Nn3c(S)nnc3SCc3ccccc3)c2c1	768356458	ZCQJYPCJYKQBOR-UHFFFAOYSA-N	423.567	5.011	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2ncc(-c3cccc(F)c3)o2)c2ccccc21	769543817	JJPYYUDPMKRTII-UHFFFAOYSA-N	403.413	5.096	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(OCc3ccccc3)c2)c1	772984809	QHBLVXBVKOOVEQ-HYBUGGRVSA-N	400.522	5.797	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	775613639	MZSGPZIJZGCGLX-UHFFFAOYSA-N	406.379	5.229	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1	776904354	SZKFEIYSBWNIFP-FGZHOGPDSA-N	423.438	5.810	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)c1ccc(Cl)cc1	777303451	ACZPRJFALHMFAU-NHYWBVRUSA-N	417.317	5.688	30	20	HKED	
CN(c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1)C1CCCCC1	778078937	ZJJVXHFLXQWLSH-UHFFFAOYSA-N	413.569	5.017	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1	780671322	UGBXWYXTXMBNGD-QRQCRPRQSA-N	423.875	5.681	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(Cc4ccc(F)cc4)CC3)n2)cc1	783070622	DFWVBYKAERRWFV-IBGZPJMESA-N	406.482	5.157	30	20	HKED	
CC[C@@H](CN(C)C(=S)Nc1ccccc1C#N)Oc1ccc(Cl)c(Cl)c1	787195877	JADPNJCRWUJLEU-AWEZNQCLSA-N	408.354	5.351	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2ccc(SC(F)F)cc2)c(-c2ccncc2)n1	788354726	ISMGRHVOLKCVLO-DAXSKMNVSA-N	410.449	5.070	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccccc2O[C@H](C)C#N)cnn1-c1ccccc1Cl	792548017	WNYSMNNXICDZHG-OAHLLOKOSA-N	408.889	5.192	30	20	HKED	
C#CCOc1ccc([C@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	793568629	NMQVIIMRWFACDP-GAJHUEQPSA-N	417.471	5.536	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1	800506760	YVYSCOHNXSTGLS-WMZHIEFXSA-N	408.929	5.072	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C\c1ccc2ccc(Cl)cc2n1	804558522	FCNRPIGFUBOANH-KTKRTIGZSA-N	408.933	5.284	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	810437007	WORYIDWJHBJORX-UHFFFAOYSA-N	414.531	5.065	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813217912	QHFCYRKNPGTZMX-NHYWBVRUSA-N	400.322	5.174	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OCC	813219155	WYTVWSCLTPMBNB-INIZCTEOSA-N	420.431	5.052	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](N[C@@H](CCCC#N)c2ccccc2)c2ccccc21	815635743	ITRMDVKKUNDAEV-YTFSRNRJSA-N	405.542	5.722	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1	864236681	SEOWAHBWPCUQAH-UHFFFAOYSA-N	401.491	5.120	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)sc2c1CCCCC2	878090302	XTOXSCKXZULIHI-UHFFFAOYSA-N	400.594	5.620	30	20	HKED	
CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)[C@H](C)c1ccc(C#N)cc1	914509464	LVOHGFZTIDMHRS-SECBINFHSA-N	417.123	5.790	30	20	HKED	
N#C[C@H](C(=O)CCc1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915103399	VTPRANSKOFDIGB-CQSZACIVSA-N	407.347	5.987	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl	915871415	TXRMXNCODPDHKV-MDZDMXLPSA-N	410.260	5.704	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccccc3OC(F)F)c2)cc1	916140261	IIIMBIYCXCOZRE-NTEUORMPSA-N	423.415	5.445	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)nc2ccccc21	916843729	NUOVVZBVUPQGIE-NCUBBLFSSA-N	401.466	5.331	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2oc3ccccc3c2C)cs1	917560400	XAWJIVKRIYOFLQ-JLHYYAGUSA-N	416.502	6.087	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	920003058	HHOTYNBNMBEQLC-CYBMUJFWSA-N	407.322	5.127	30	20	HKED	
CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1	1786390937	GEVRTGVTYMDAAJ-NRFANRHFSA-N	402.604	5.045	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1	1787526930	BIUQGBHXFIJMMA-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCn3cccc3)CCC2)cc1	1789458125	LYPMUSIKSXPHKZ-QHCPKHFHSA-N	419.569	5.171	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C)CCC3)cc2)c1	1792122251	IAZOLGSJIAEAOH-KRWDZBQOSA-N	403.526	5.107	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3Cl)CC2)C1	1804865339	NKCQBUVPDFCAPN-UHFFFAOYSA-N	416.993	5.177	30	20	HKED	
CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1	1830017469	XAHIFTXNSZCGPV-HYBUGGRVSA-N	423.601	5.008	30	20	HKED	
C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccccc1Cl	8176448	ZSJLJOIQJQQZIH-HNNXBMFYSA-N	404.853	5.063	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1	15247965	ANDOCNRLGLDFTA-UHFFFAOYSA-O	416.353	5.640	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1	22967483	JEEICMIWXJTUJE-UHFFFAOYSA-N	417.534	5.112	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)NC(C)C)cc3)n2)cc1	51154818	ATBWUDWLIZRGIG-LJQANCHMSA-N	418.522	5.139	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1	63939862	VWNZWSSWJBZXEF-UHFFFAOYSA-N	411.505	5.160	30	20	HKED	
C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNCc3cccc(OCCCC#N)c3)cc2)C1	237472166	PIHVPKKDUAJQDM-FGZHOGPDSA-N	405.586	5.137	30	20	HKED	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	253485484	OYHORMPSYLZUCL-YWBKXGLFSA-N	418.880	5.162	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1NCc1cccc(COC2CCOCC2)c1	301411623	YOXVGVIDWWXWHB-UHFFFAOYSA-N	407.901	5.068	30	20	HKED	
C[C@H](Nc1ncc(Cl)c(N[C@@H](C)c2cccc(C#N)c2)n1)c1cccc(C#N)c1	301711371	HZNCHSBIVHWNEJ-GJZGRUSLSA-N	402.889	5.220	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Br)cc1F	303316482	GWRGTONXBKVYNE-GFCCVEGCSA-N	422.323	5.033	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(OC(F)F)cc1	303629312	OJVGJVJUDQREHW-MRXNPFEDSA-N	422.431	5.230	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F	303818262	DJALEKUOTYAWAA-HUUCEWRRSA-N	406.473	6.089	30	20	HKED	
CCCOc1c(Br)cc(C(=O)Nc2ccc(C#N)cc2Cl)cc1OC	430363235	VFBUMGXMSPZPKJ-UHFFFAOYSA-N	423.694	5.024	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccccc1CN1CCc2ccccc21)c1ccccc1	432907580	QWOIQMVLXASHAT-XMMPIXPASA-N	424.548	5.806	30	20	HKED	
CC(C)(c1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1)C(F)(F)F	433693579	JPGBOQXDXPDYSH-PMACEKPBSA-N	400.444	5.438	30	20	HKED	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	435109098	AHIFQHSBPYAXNL-RZUBCFFCSA-N	422.960	5.086	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@@H](c4ccccc4)c4ccccc43)cc2)nc1	436301005	LPBJPCXINPQJNX-DEOSSOPVSA-N	417.468	5.538	30	20	HKED	
CN(Cc1cccc(Br)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438636669	PUIHDGYBJQJMEN-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1ncc(CC)s1)c1ccc(C(F)(F)F)cc1	441537226	SLVXBWSMKKDSFD-QGZVFWFLSA-N	411.493	5.573	30	20	HKED	
Cc1ccc(Br)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	442674316	XUTNSORYKAQBTL-ZDUSSCGKSA-N	405.704	5.511	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)c2ccc(C#N)c(O)c2)nc1-c1ccccc1	442972489	LYPPTGJZULPFMW-IBGZPJMESA-N	401.466	5.020	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12	444301820	GZWMPIYENRKPFH-FQEVSTJZSA-N	414.553	5.885	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)NCCCCC#N)cc2Cl)n1	445058264	XDQAGZCEKSAAKI-UHFFFAOYSA-N	407.927	5.097	30	20	HKED	
N#Cc1ccccc1COc1ccc(-c2nc(Cc3nccc4ccccc34)no2)cc1	445514718	JFWZAZGSKRFJRA-UHFFFAOYSA-N	418.456	5.326	30	20	HKED	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	461223800	YYNMBXUHGIMNPA-UHFFFAOYSA-N	419.247	5.037	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	461315978	KGFNDAMGHVLBAH-IIBYNOLFSA-N	404.441	5.093	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	462910137	CLFKRWFWQAGCQJ-YADARESESA-N	416.452	5.140	30	20	HKED	
C=CCC[C@H](NCc1cc(-c2cnn(C)c2C)no1)c1ccc(C(F)(F)F)cc1	467457498	PIMGDYYYWMVCME-IBGZPJMESA-N	404.436	5.199	30	20	HKED	
CN(Cc1ccccc1NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1	469281924	WOQLSGRLLWARLZ-UHFFFAOYSA-N	401.535	5.067	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1	475573160	RTBNBORTTDMGEV-QHCPKHFHSA-N	422.960	5.837	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cc(-c2ccc(OC)cc2)cs1	475937363	GUQURLJGCQPHEC-UHFFFAOYSA-N	417.534	5.193	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccccc1Br	476083882	JSIUVEZPPFTVAE-OAHLLOKOSA-N	402.332	5.707	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1	476118735	NOIQJFFZXRCNAJ-UHFFFAOYSA-N	424.500	5.591	30	20	HKED	
Cc1cccc(COc2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)c1	480051019	LIAHUPXJXRXPPG-UHFFFAOYSA-N	422.532	5.136	30	20	HKED	
CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	482851626	YFQULIIQAKYOPU-GMAHTHKFSA-N	422.594	5.564	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CC[C@@H]1C(F)(F)F	484010670	OAWVEPSHKMFLRW-ZDUSSCGKSA-N	416.337	5.209	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(C(F)(F)F)nc2)cc1Cl	488661201	XXJQUCVDLDXHSM-MRXNPFEDSA-N	416.790	5.057	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(C)cc1	489639643	YXVRZANSHXGKMC-MRXNPFEDSA-N	424.595	5.281	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(Cl)cc1	489640261	JDBAVDCGVYHLKL-OAHLLOKOSA-N	413.930	5.060	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(C)c(C)s1	492586205	ZAAVSECCYBRAGA-UHFFFAOYSA-N	406.964	5.062	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496332347	QYNLEDPCAWHMFW-HNNXBMFYSA-N	420.460	5.197	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(F)c(F)c2)nnc1[C@@H]1COc2ccccc2O1	497669853	AWZNVLWRKPIAJO-YJYMSZOUSA-N	415.465	5.108	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1	499314020	QKXBWGGVFYRMAR-IBGZPJMESA-N	403.309	5.218	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1csc(C(C)(C)C)n1	499897330	TWQOIBKPDNOBTB-AWEZNQCLSA-N	402.589	5.199	30	20	HKED	
COCCOc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	502624589	YMOTYDISRUBXSL-UHFFFAOYSA-N	417.465	5.328	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1	503223040	CKEFZXLWSMMMOC-IBGZPJMESA-N	422.598	5.067	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CCC(F)(F)F)cc3)n2)cc1	504589600	MZFKEBFKWYBSQN-GOSISDBHSA-N	414.452	6.104	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1	509609562	RHXCCMUREOJPMJ-UHFFFAOYSA-N	403.463	5.467	30	20	HKED	
CCOc1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C(C)C)cc1	509929238	MLUIBJOZSAIFRA-UHFFFAOYSA-N	403.429	5.001	30	20	HKED	
CCOCc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	510675853	SWJHJOGYKQXVJD-UHFFFAOYSA-N	401.466	5.209	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	515023228	GSCWXSKPIWYABO-KRWDZBQOSA-N	408.461	5.111	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)sc2c1CCCC2	515163162	QYSMLROTBOUZQU-UHFFFAOYSA-N	413.955	5.457	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c2cnn(C(C)C)c2n1	515495847	JQTJKKWTLVOGID-GOSISDBHSA-N	423.520	5.350	30	20	HKED	
CCCN(CC1CCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	517309768	KCNDHFYYCYWVCX-UHFFFAOYSA-N	419.569	6.156	30	20	HKED	
C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1cccc(Cl)c1	517784405	NPPZXWYPJLSTSI-LJQANCHMSA-N	424.932	5.047	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccccc1OC(F)F	519889940	XHMJLOGGRDUPIQ-INIZCTEOSA-N	401.457	5.088	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cs1	521885222	MNCJODFLDPKTJS-INIZCTEOSA-N	401.413	5.132	30	20	HKED	
Cc1nn(-c2ccccc2)cc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	522590423	PEDHDOXKUVQVCK-UHFFFAOYSA-N	424.479	5.034	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)nc(C)n1	525000722	WYCZRFMCLBWAJS-HXUWFJFHSA-N	400.482	5.068	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1	525024269	NRNNUCAZEMQNER-NHCUHLMSSA-N	418.443	5.352	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	531071081	USFVCJZMJNHMDT-UHFFFAOYSA-N	412.424	5.339	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	533765948	HAZCBTPKFVOJTJ-HOCLYGCPSA-N	416.616	6.052	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1	533919158	GPRZXVOZSKLLLL-UHFFFAOYSA-N	408.498	5.276	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1c(C)noc1C	535304306	QIZSGCKVEMUVCP-HXUWFJFHSA-N	404.470	5.537	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](C2CCOCC2)C1)c1ccc(C(F)(F)F)cc1	535878827	ZDACGTVFBYDEHG-ICSRJNTNSA-N	410.480	5.171	30	20	HKED	
CCCCOc1ccc([C@@H](C)NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC	538392898	CBNNXTRYZAEXMR-HXUWFJFHSA-N	421.585	5.061	30	20	HKED	
N#CC1(CCCSc2nnc(-c3ccc(F)cc3)c3ccccc23)CCOCC1	539511670	OPRDGUZFJGJMIQ-UHFFFAOYSA-N	407.514	5.629	30	20	HKED	
Cc1cc(C)cc(-n2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2C)c1	540722505	FJYQTLYUDXBFMZ-KRWDZBQOSA-N	404.539	5.302	30	20	HKED	
N#Cc1c(NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)nc2ccccn12	541114635	HDIAZDRLKMMWSF-UHFFFAOYSA-N	409.371	5.024	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCCCC[C@@H]1/C=C/c1cccs1	542132051	HGDBHKKTKQLXDS-IENJSVCTSA-N	411.596	5.260	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCCCO1	543084143	IYBQUDNPLKRSPR-NWDGAFQWSA-N	423.275	5.013	30	20	HKED	
C=CCN(CCC#N)C(=O)c1ccccc1SCc1ccc(Br)cc1	552780200	DOWQCPFBZQABQT-UHFFFAOYSA-N	415.356	5.283	30	20	HKED	
N#CCC[C@H](C#N)COc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	555581421	ZXPKYDGIAHMUMA-CYBMUJFWSA-N	421.806	5.433	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)cc2)c1	559677698	XYZJCPXSDPYFAA-HQOBLLPJSA-N	420.509	5.043	30	20	HKED	
O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@H]1CC[C@@H](C(F)(F)F)C1	560621504	RCFFASKSVPFMRC-JGVFFNPUSA-N	415.284	5.134	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1	561812710	CNJCIXLBRCUTPF-HXUWFJFHSA-N	420.431	5.309	30	20	HKED	
N#Cc1cc(Br)ccc1CNc1cc(Cl)ccc1OC[C@H]1CCOC1	564200912	UXLPEMMXQNIEHD-ZDUSSCGKSA-N	421.722	5.002	30	20	HKED	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(F)c2ccccc12	565369320	YOSMOGUUQBTCMO-INIZCTEOSA-N	419.475	5.083	30	20	HKED	
COc1ccc([C@H](CNc2c(C#N)nnc3ccccc23)c2c[nH]c3ccccc23)cc1	570011863	BVKQAKKNBOSUSW-NRFANRHFSA-N	419.488	5.235	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3cccnc3OC3CCCC3)no2)c2ccccc21	571362537	QQFDLHCDZBMHOH-UHFFFAOYSA-N	413.481	5.378	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1	572625456	GEJKNVDHUFJBED-UHFFFAOYSA-N	421.447	5.184	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCCCC(F)(F)F	580224184	GTQVNCQHCHHOQY-UHFFFAOYSA-N	410.280	5.208	30	20	HKED	
Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cs1	586686883	RULDQPSZCMAZJT-UHFFFAOYSA-N	407.442	5.247	30	20	HKED	
CC(C)(c1noc([C@H]2CCN(c3ccc(C#N)cc3F)C2)n1)c1ccccc1Cl	589151263	BEAJDADGURHLBF-HNNXBMFYSA-N	410.880	5.054	30	20	HKED	
C=CCN(C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc2c(s1)CCCC2	589289529	NSABWFIVIRHGFM-UHFFFAOYSA-N	410.461	5.072	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc2cc(F)ccc2s1	592974521	SNPHQMZJAPVAJU-AWEZNQCLSA-N	411.458	5.112	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	604443138	IBAUGUNKPVKUJJ-UHFFFAOYSA-N	420.538	5.105	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609058286	YTHRWTRERFCEGE-UHFFFAOYSA-N	414.383	5.021	30	20	HKED	
CN(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	609073037	SVSYNXZJVRJYBB-QHCPKHFHSA-N	419.912	5.032	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N3CCC(C#N)CC3)cc2Cl)cc1	609207792	KTOWLSHZWAIUIT-UHFFFAOYSA-N	401.919	5.267	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)sc2c1	609428320	MCXDHXGIPJYYPC-ZDUSSCGKSA-N	400.956	6.510	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1	609496857	LWCSXPQQXBMGMW-FQEVSTJZSA-N	405.523	5.081	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1CCc2ccccc21	609651562	JUSZZRAZEAZJIX-OAHLLOKOSA-N	404.457	5.770	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccc(COC3CCCC3)cc2)c(C#N)c(C)c1C	610054526	PVQHSQFUYCNEHY-UHFFFAOYSA-N	409.555	5.069	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(-c2ccccc2)cc1	610296532	AYBPQQRUINNGMV-UHFFFAOYSA-N	405.457	5.689	30	20	HKED	
C[C@@H](Nc1nc(CN(C)C)nc2scc(-c3ccccc3)c12)c1cccc(C#N)c1	610340188	AETUWXUNARBCSU-MRXNPFEDSA-N	413.550	5.465	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cccc(C#N)c1	610359065	DRPDEXYONDUMQS-CYBMUJFWSA-N	409.898	5.016	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	610666237	WGIQPRDQFXZJEE-ZIAGYGMSSA-N	424.957	5.765	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	611142478	WACVWYZDHXCAOA-UZLBHIALSA-N	403.309	5.071	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2ccccn2)cc1C	613296375	BUVSEYXRELEAJW-JOCHJYFZSA-N	406.489	5.100	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)nn1	618218758	AVYUBRCUHHPDSN-UHFFFAOYSA-N	411.465	5.088	30	20	HKED	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H](C)c1cccc(C#N)c1	619438010	DCAWAEJJVZHFSA-ZDUSSCGKSA-N	424.298	5.029	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	679237136	GBJZDXKNZSXBCF-ZWNOBZJWSA-N	406.433	5.281	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1	682776968	BXILPFGUPKQLSF-IBGZPJMESA-N	403.526	6.091	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	683960424	AGZASIPBZNMHGB-HNNXBMFYSA-N	408.317	5.131	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1ccc2ccccc2n1	684629870	JBEHPHVUZOSVSU-IBGZPJMESA-N	412.395	5.234	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=S)N[C@H](C)c1ccc(Cl)cc1Cl	726484188	GWCLHMSLXJDTLH-CQSZACIVSA-N	406.382	5.711	30	20	HKED	
N#CCCCOc1cccc(/C=C2\CCOc3ccc(Br)cc3C2=O)c1	726744138	UGXTVTAENPUHMS-FOWTUZBSSA-N	412.283	5.180	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc(-n2cncn2)c(F)c1	727654018	FJIHGUQYYJCMHP-YCRREMRBSA-N	424.888	5.388	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cc1	728691857	IIKUYLSMDJZTBJ-UHFFFAOYSA-N	409.848	5.370	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(\Br)c2ncc(-c3ccc(F)cc3)o2)cc1	728699658	HNQWSKMRDKNOAU-CCOVPTLTSA-N	413.246	5.665	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(-c2ccccc2)cc1	731027977	DIQGFVBZYPEGHV-SFHVURJKSA-N	401.535	5.656	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(C)n1Cc1ccccc1	731646191	ZFTAEWHPZGKZMF-OAQYLSRUSA-N	411.427	5.167	30	20	HKED	
CC(=O)Nc1ccc(/C=C2/CC(C)(C)C/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1	736434427	SGDNZIZRMFSJFD-JZTLMNBPSA-N	416.521	5.460	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1	736992559	RPRGHAVPLOBSRL-UHFFFAOYSA-N	413.493	5.071	30	20	HKED	
CC(C)(C)c1nc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2s1	743014204	SKCRNSSKIPNQKV-UHFFFAOYSA-N	400.960	5.928	30	20	HKED	
C#CCCN1CCC(NC(=O)c2oc3ccccc3c2CSc2cccs2)CC1	743489466	GXJQBCOXPWQXFB-UHFFFAOYSA-N	424.591	5.004	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1C(F)(F)F	744016666	QRHRXNQXESOABL-MLFXKNMZSA-N	410.395	5.490	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	744027693	BJICZELDXHUFGY-AABGKKOBSA-N	423.299	5.598	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)ccc1OC(C)C	744443527	LECYVQQHPYQUBZ-OAHLLOKOSA-N	413.449	5.092	30	20	HKED	
O=C(O)c1cc(NN=C(Cc2ccccn2)c2ccc(Cl)cc2)ccc1Cl	745193560	YYAIUWIKBLSPJG-UHFFFAOYSA-N	400.265	5.146	30	20	HKED	
COc1ccccc1C(C)(C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	745267912	CFINEKVRCOFGSL-JOCHJYFZSA-N	413.521	5.450	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)C[C@H](Cc3ccccc3)c3ccccc3)o2)c1	745352316	OHKGPBPXYXBPMZ-QHCPKHFHSA-N	423.472	5.068	30	20	HKED	
COc1cc(C(=O)/C=C\c2c(Cl)nc3sccn23)ccc1SC(F)F	746346755	UPXFCUGXRRPBGR-ARJAWSKDSA-N	400.859	5.269	30	20	HKED	
N#Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)c(Cl)c([N+](=O)[O-])c1	746482414	SEPFSDZWMGCZMY-UHFFFAOYSA-N	405.841	5.281	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1c(C)nn(C(C)C)c1C	746489129	RVHCBRYGNCTNDP-UHFFFAOYSA-N	422.533	5.728	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1	747863908	PPKAFNPCKSOXME-CQSZACIVSA-N	406.442	5.095	30	20	HKED	
CCCCOc1ccc(C=NO[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1OC	748098030	VYCRFWIDTLMLHY-KRWDZBQOSA-N	409.486	5.344	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3OC(C)C)n2)cc1	749054861	LNBKJTXIESGGCS-IBGZPJMESA-N	406.507	5.025	30	20	HKED	
NC(=NOCc1cc(-c2ccc(Cl)cc2)no1)c1cccnc1Oc1ccccc1	749250234	NCJALJMBXQYNSH-UHFFFAOYSA-N	420.856	5.019	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)ccc1OC	749450785	BVFKTTBUKZDELR-NORHQAJESA-N	420.509	5.081	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1	750394886	IUHYNUBGCJLHGY-OAQYLSRUSA-N	420.852	5.102	30	20	HKED	
CC(C)Cc1ccc([C@@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C2CC2)cc1	750880822	XSXLKCJQQCHKSN-BKMJKUGQSA-N	424.548	5.163	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccc(O)c2)cc(Br)c1OC(F)F	750899230	BFEMNVUAXQKAKW-VOTSOKGWSA-N	413.214	5.051	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1-c1ccccc1	754192433	WZVQIRHRSNDCNR-XMMPIXPASA-N	420.516	6.039	30	20	HKED	
C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1	754899671	IHGNTHPSEICOHA-VIFPVBQESA-N	422.655	5.486	30	20	HKED	
CCOC(=O)/C(=C/c1ccc(O[C@@H](C)C#N)cc1)c1nc(-c2ccc(C)cc2)cs1	756623122	RHKDCJVSNZPSEA-RSZPVBOMSA-N	418.518	5.513	30	20	HKED	
COc1cccc(-c2nc(/C=C\C(=O)c3cc(Br)ncc3F)cs2)c1	762423327	PJJAXXKXROIBDR-WAYWQWQTSA-N	419.275	5.011	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1COc1ccccc1	767202945	QHDUNTAKPQPWNN-UHFFFAOYSA-N	401.384	5.040	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCCc2sccc21)c1nc2cc(C(F)(F)F)ccc2s1	771578967	SNQVASZSNUMMRO-QWHCGFSZSA-N	406.454	5.673	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3cc4c(cc32)CCCC4)ccc1OC	772978833	HOVLQSDKLOMWEK-GMAHTHKFSA-N	420.553	5.258	30	20	HKED	
COc1ccc(-c2ccc(C(=O)Nc3ccccc3O[C@H](C)C#N)c(F)c2)c(F)c1	780167290	ZTSOZNSWFZGTAE-CQSZACIVSA-N	408.404	5.184	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	780674214	LLEQXJAOVHRXKX-GHTZIAJQSA-N	424.504	5.412	30	20	HKED	
COC(=O)[C@@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1c(F)cccc1Cl	784068675	UCXIAXJITPGGDX-GCJKJVERSA-N	408.860	5.461	30	20	HKED	
CC(C)c1cccc(-c2ccc(C(=O)[C@H](C#N)C(=O)N(C)Cc3ccccc3)o2)c1	787064637	CDRGKIFZCLMYKI-NRFANRHFSA-N	400.478	5.051	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccccc1Br)c1nccc2ccccc12	792094643	PBKVURSESSGVIM-KRWDZBQOSA-N	409.283	5.033	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCC[C@@H]([C@@H]4CCOC4)C3)nn2)c1	794982246	UZAWUFZFNYAQFS-GDBMZVCRSA-N	404.436	5.157	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2cc(F)ccc2Br)s1	797566444	JZHOIAIKPUUNSR-CYBMUJFWSA-N	409.324	5.151	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)O[C@H](C)C2	797568326	PZYZWZXSOIMPQH-JCVMBZQJSA-N	410.539	5.052	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)cc1C#N	799347223	RICHZEPUYGVNBZ-UHFFFAOYSA-N	406.873	5.480	30	20	HKED	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	802053573	WPOCNKMBWCLKCG-HBMCJLEFSA-N	402.519	5.361	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1cc(C(F)(F)F)ccn1	813213330	KWRDKYCDUIEZJT-OAHLLOKOSA-N	423.232	5.161	30	20	HKED	
C=CCC(C)(C)c1noc(C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)n1	815708199	KOHDBHJTHGOLLB-OAHLLOKOSA-N	420.941	5.089	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccccc2)cc1	916900089	MIWQXDWEWBBHLR-QHCPKHFHSA-N	412.489	5.565	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2Cl)n(C)c1=S	917457529	IZPQWQCHYDMBEY-UHFFFAOYSA-N	411.962	5.013	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OC(F)F)cc1	917517784	KVIZAAWPOZKUAH-XBXARRHUSA-N	418.827	5.150	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3nc4ccccc4s3)n2)cc1	920139597	VPQRCVKLFGIQJC-SIFUEBAJSA-N	417.515	5.318	30	20	HKED	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920140311	BIBBXROMAZVCRN-YOEHRIQHSA-N	421.909	5.287	30	20	HKED	
Cc1ccc(/C=C/c2cc(C(=O)O[C@@H](C)C#N)c3cc(Br)ccc3n2)o1	920704492	KRMUPUCAZACZAU-IYNGYCSASA-N	411.255	5.138	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1	920803877	FUHFYDCMWLYPAF-KRWDZBQOSA-N	420.440	5.497	30	20	HKED	
N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc(-c2c(F)cccc2F)cs1	920804298	OMTGCFIYAFRCEU-MRXNPFEDSA-N	421.472	5.769	30	20	HKED	
CN(Cc1cccc(O)n1)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1	1662729673	OKAGJVDPGWQSOF-UHFFFAOYSA-N	424.913	5.127	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828343381	FNZWCYVFKMNDDQ-XZOQPEGZSA-N	414.634	5.345	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3Br)o2)cc1	7439571	CXASGRKWGLAAHQ-AWEZNQCLSA-N	400.301	5.035	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(Cl)cc1	10831882	ZWBWEVPYQZORPZ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2c(C)cccc2C)cc1	11153552	MCZUXJBBVQGPAN-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c1	32289911	SGJODCDNVJXEOS-UHFFFAOYSA-N	410.395	5.337	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)o1	54926508	KBSJTMVNRBWAML-UHFFFAOYSA-N	418.474	5.227	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1COc1ccccc1	63393104	GDLXWPZQLNDHQM-UHFFFAOYSA-N	417.465	5.394	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCc3ccccc3C2)cc1	63927314	CRBQVKPCZWKPQE-UHFFFAOYSA-N	409.533	5.172	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1ccccc1	64715268	BUVHSBZSJDNJFK-HNNXBMFYSA-N	420.444	5.073	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(C)C)nc2ccccc12	106116480	XFZYMRSWZFSYEG-UHFFFAOYSA-N	422.488	5.978	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	138088754	FMZVHYHKJNZVNG-DTQAZKPQSA-N	405.457	5.338	30	20	HKED	
C[C@@H]1C[C@@H]1[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(Cl)cc1	237355133	KEYRGOOKJUGNTH-UWSIMGETSA-N	404.945	5.604	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1SC[C@H](C)C#N	303270909	HHABCWODDQHEOJ-KGLIPLIRSA-N	407.366	6.062	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	303438089	HFLQOAOOJOBTHC-UHFFFAOYSA-N	404.853	5.246	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCCC23CCOCC3)cc1Cl	409809955	ZLLOINDZKIQEBZ-NRFANRHFSA-N	410.901	5.083	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)c(Cl)c1	426380089	KVURDYZXXNMQOC-UHFFFAOYSA-N	401.228	5.395	30	20	HKED	
CCCc1c(NC(=O)c2c[nH]cc2-c2ccccc2F)cnn1-c1cccc(C#N)c1	427500327	UUXASYWVFGJTIC-UHFFFAOYSA-N	413.456	5.083	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)c1	427951949	RRGSMYRQKYDDSJ-LJQANCHMSA-N	410.901	5.035	30	20	HKED	
C=CCC(C)(C)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	431722182	KSLZGWYEKIRQGJ-FQEVSTJZSA-N	406.526	5.036	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccnc(Sc2ccccn2)c1)c1ccccc1	432788975	OFHLPWBLUSMDDQ-LJQANCHMSA-N	403.511	5.184	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)Nc2ccc(F)cc2C#N)c2cnn(C(C)C)c2n1	433972374	QDWCWHYXHXYSJF-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1)c1ccccc1	435100920	LKRMIGFGJVXOLJ-SFHVURJKSA-N	404.457	5.146	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	437838129	KPYNCXZMVDDTIW-GOSISDBHSA-N	415.493	5.454	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@@H](C)c2ccccc2F)cnn1-c1cccc(C#N)c1	439675128	ZAVNJNMQMUCMJB-INIZCTEOSA-N	405.477	5.060	30	20	HKED	
CC(C)(NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(Br)cc1	440074762	HPGFAQUUZGMPHZ-SFHVURJKSA-N	400.320	5.028	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1	440261439	TUZMOONXRTUTCM-QGZVFWFLSA-N	404.297	5.135	30	20	HKED	
C=CCC[C@H](NC(=O)c1sc([C@@H](C)OC)nc1C)c1ccc(C(F)(F)F)cc1	441554869	WSKXBPVOJFAUTG-CJNGLKHVSA-N	412.477	5.615	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)o1	460396346	YCKPQIHGIJNIMQ-UHFFFAOYSA-N	410.433	5.156	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCc2cc(Cl)cc(Cl)c2[C@H]1C	460780382	RBNLIEHNRULYIU-DYVFJYSZSA-N	407.345	5.136	30	20	HKED	
Cc1sc(NC(=O)[C@H](C)c2cccc(C#N)c2)nc1-c1c(F)cc(F)cc1F	462024617	FIHFFKAMSBUEKD-SNVBAGLBSA-N	401.413	5.150	30	20	HKED	
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccc(C#N)cc1	464808552	XDBFBRMSBKFGKH-SNVBAGLBSA-N	414.239	5.027	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccccc2-c2ccccc2C#N)cc1	464894103	NOPYFXXMBPDENJ-GJZUVCINSA-N	410.517	5.431	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NC3CC(c4ccc(F)c(Cl)c4)C3)cc2)nc1	467858214	GUACIIMXMCTJGM-UHFFFAOYSA-N	421.859	5.214	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccoc1C	468625026	IZQPORBEXUHUSJ-INIZCTEOSA-N	421.526	5.553	30	20	HKED	
COc1ccc(Nc2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1	468980597	KPTRUPREYQGVEJ-AWEZNQCLSA-N	424.551	5.399	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2c(ccc3ccccc32)o1	469165978	FCEXJQPPZHYZDO-SFHVURJKSA-N	423.516	6.342	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1	469676469	DAXSFQUXDDNOCV-GJZGRUSLSA-N	401.482	5.380	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CNc2ccc(Oc3ccccn3)cc2)ccc1Cl	470539689	LLMQAVFAOAXKPD-UHFFFAOYSA-N	420.900	5.195	30	20	HKED	
COc1ccc(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1OCCCC#N	470548765	XWFGLDHNVPZRMV-UHFFFAOYSA-N	412.480	5.335	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	471259420	VXJWMSUDEAULAZ-DNVCBOLYSA-N	417.431	5.136	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccco1	472707796	WTFVACKOLGKLSN-GOSISDBHSA-N	411.845	5.106	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1Cl	474966828	DSOBKSQZTNJCQV-MJGOQNOKSA-N	423.944	5.381	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C	475550589	OYFILAPBNDSJDU-UHFFFAOYSA-N	420.601	5.633	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1	475557094	WMTUKTPUVUUGIV-QGZVFWFLSA-N	411.933	5.119	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc1	476546790	LTLBIPWRIRUDBA-UHFFFAOYSA-N	408.461	5.476	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Sc4ccc(Cl)cc4)o3)nc12	478615536	MPPUXMJUYFMJDW-AWEZNQCLSA-N	408.870	5.154	30	20	HKED	
CCc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1C(CC)CC	482722734	WLMHFROPZQCLAE-UHFFFAOYSA-N	406.486	5.103	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@@H](C#N)c2nccc3ccccc23)c1	483229647	OQYJSYRKAPKAIQ-QFIPXVFZSA-N	405.457	5.286	30	20	HKED	
CCc1cc(O)ccc1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	484183030	WNFYPSZMVCWHKR-UHFFFAOYSA-N	401.466	5.244	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1	488694924	ZBAGAROCWPWFFE-OYRHQHFDSA-N	410.542	5.166	30	20	HKED	
O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cccc(C(F)(F)F)c1F	490252428	QOHWWRHXEITAFK-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1	496269056	WRTHMWJVAUZRRX-QGZVFWFLSA-N	422.495	5.202	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc1	502606795	XNTGTTNROKZHNW-SFHVURJKSA-N	414.509	5.420	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3cccc(F)c3C2)cc1F	503470616	OHDUKYBEYKLVFL-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc([C@H]2CCCOC2)cc1	504094840	VJLMRJMATIWSEE-NRFANRHFSA-N	413.477	5.200	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)cc1	508172043	BNDDHGNYNATSHC-KRWDZBQOSA-N	401.466	5.117	30	20	HKED	
CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1	510959488	QDQOALFGGFQJHU-UHFFFAOYSA-N	418.324	5.045	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2ccnn2C)C1)c1ccc(C(F)(F)F)cc1	511529050	OLWOJYLPZRJVQA-IEBWSBKVSA-N	420.479	5.035	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1	513535222	UPPRTLCCYZXBHX-DEOSSOPVSA-N	414.480	5.124	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)nc2ccccc21	513670681	ABIBNALLKUOKAQ-INIZCTEOSA-N	424.485	5.447	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nc2ccccc2o1	515597233	CCTODYUAHXMTQV-SFHVURJKSA-N	423.403	5.779	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)C(=O)Nc1ccccc1C#N	515715692	HLDTVISZNJDTQE-IAGOWNOFSA-N	403.457	5.167	30	20	HKED	
CCN(C(=O)NCCSCc1ccccc1C#N)[C@H](C)c1cc2ccccc2o1	516662839	YQMLYOKGTPGYRH-QGZVFWFLSA-N	407.539	5.330	30	20	HKED	
Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(-c2nc3ccccc3[nH]2)c1	517655552	IEZSCUHMNNNNMN-UHFFFAOYSA-N	412.518	5.282	30	20	HKED	
C=CCn1c(SCc2ccc(SC)c(OC)c2)nnc1-c1ccc(OC)cc1	518305448	FTTHRTDWXXXPIW-UHFFFAOYSA-N	413.568	5.163	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	518372259	KTRDZHWQFRRFKT-NRFANRHFSA-N	403.507	5.563	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)cn1	519433781	CQVMIFIMBYYDRK-UHFFFAOYSA-N	419.350	5.377	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1cccc(OC2CCCC2)c1	520826316	MPMGTFSZYANUNH-GOSISDBHSA-N	408.567	5.831	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1cccc(C#Cc2ccccn2)c1	522075703	XRMKUDBHCQPWHO-UHFFFAOYSA-N	409.411	5.164	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCSC[C@H]3c3ccccc3)cc2)cc1	522426643	OJHODWGPGXSKGU-QHCPKHFHSA-N	415.518	5.673	30	20	HKED	
C=C(C)CN(CC)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12	523086726	SSSYCWIBCPWZOV-UHFFFAOYSA-N	403.404	5.255	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc2ccccc2c1	524614128	SZKFQNKKEIRFMX-QZTJIDSGSA-N	420.603	6.667	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)oc12	527101619	GEHVXYMRVSHIFW-CYBMUJFWSA-N	423.188	5.408	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1	531620669	LHNMMGFYWBCKJZ-IAGOWNOFSA-N	417.575	5.057	30	20	HKED	
Cc1nc2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	532892636	GPOCZAHIJOZIJD-UHFFFAOYSA-N	418.444	5.008	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1C(F)F	534736128	XGYHRYCRIHAKJH-UHFFFAOYSA-N	400.454	5.329	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)n1	537381691	KMNITWZEUJEDBU-MRXNPFEDSA-N	408.479	5.193	30	20	HKED	
CCCCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c2ccccc21	537481687	JNIAUBLGFXUREF-LJQANCHMSA-N	414.534	5.840	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccccc1	538328227	LTRJBUSUBMCWFS-GOSISDBHSA-N	406.873	5.066	30	20	HKED	
C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc(OCc2ccc(F)cc2)cc1	539305834	RCYMTSSRIGGPBU-INIZCTEOSA-N	423.513	5.017	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)cc2)CC1	540733437	RRSJKIFTMSTHMQ-UHFFFAOYSA-N	403.869	5.121	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccccc2O)cc1Cl	540973940	KFHXKBQPVZLWPS-FQEVSTJZSA-N	405.885	5.065	30	20	HKED	
C[C@@H](NC(=O)NCc1ccn(C2CCCC2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541119714	MQHYHDCJGAWNIH-GOSISDBHSA-N	413.525	5.097	30	20	HKED	
Cc1csc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1	542122486	FBEWHIOWGVNWLZ-LBPRGKRZSA-N	422.316	5.882	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542931868	UYQMKSWCJWNPRF-SFHVURJKSA-N	414.553	5.115	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl	547416881	OQJHBBIQNKXAHW-UHFFFAOYSA-N	408.889	5.091	30	20	HKED	
CSC[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1	558135481	RTRXPHISCCTZCZ-HNNXBMFYSA-N	400.931	5.219	30	20	HKED	
C[C@H](NC(=O)NCC1(c2ccccn2)CCC1)c1ccc(-c2cccc(C#N)c2)cc1	558169824	GGQLZRHJIHBMHB-IBGZPJMESA-N	410.521	5.102	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)N[C@H]2CCc3ccc(C#N)cc32)cc1OC	568524797	LFRVVAKKFKKXME-DQEYMECFSA-N	412.533	5.445	30	20	HKED	
CCOC(=O)[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(Cl)c1	570034024	PMGAJWYPXKJHDR-NRFANRHFSA-N	407.857	5.115	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N	575772728	HZFRNWUYWAOIRN-RPUPUWCGSA-N	423.582	5.554	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCCc3nccs3)cc2Cl)cc1	580131690	CSGZFLSGRYQRTF-UHFFFAOYSA-N	412.902	5.215	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1	588934168	GXAHTEQMUDMBAK-SJORKVTESA-N	406.835	5.723	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)N(CCC)[C@H](C)c2cc3ccccc3o2)c1	589803879	IAQZOKZPVIHKKZ-GOSISDBHSA-N	420.509	5.326	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)n1	602756606	WGFGYNZGJJRGSO-GOSISDBHSA-N	421.488	5.653	30	20	HKED	
Cc1ccccc1SCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	609028642	KRMGPJTUEVUWFH-QFIPXVFZSA-N	402.519	5.047	30	20	HKED	
CN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1F	609215975	BXKVRHQSZSMXPN-UHFFFAOYSA-N	406.269	5.404	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(Cc2ccccc2F)s1	609375769	BJZHMHAFFGQIBT-UHFFFAOYSA-N	414.465	5.059	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1ccccc1	609435207	YHPDTGHFTWZPQY-AUSIDOKSSA-N	415.562	6.186	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CCC3)cc1	609469270	RNCWNDWQPDBLGW-FQEVSTJZSA-N	418.522	5.084	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CC3)cn2)cc1	609567440	SKUPRUDBCKLESB-UHFFFAOYSA-N	404.857	5.210	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)c2)c1	611093468	WUDPOMYKVLSNJE-UHFFFAOYSA-N	422.271	5.568	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccco4)s3)n2)cc1	675921786	ZLSQSQKPHQJVML-OAHLLOKOSA-N	401.472	5.493	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1cccc(C#Cc2cccs2)c1	684681846	BWHADHJBHRKTQC-OAQYLSRUSA-N	404.539	5.123	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1	728480525	WISKRBWGIICQNT-UHFFFAOYSA-N	416.546	5.358	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Br)cs1)c1nc2ccccc2n1C(F)F	730690493	VWHAMSHDCQFHQR-GFCCVEGCSA-N	424.270	5.064	30	20	HKED	
COc1cc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cc(Cl)c1O	731937602	KCQBSEXMFFRTRQ-WQLSENKSSA-N	415.873	5.529	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1	733287220	JRHSBKPWKGFQEJ-UHFFFAOYSA-N	411.486	5.895	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cn(Cc3ccccc3)c3ccccc23)c1	733800386	ONTJMVFKMQJUOT-XMMPIXPASA-N	409.533	5.660	30	20	HKED	
CN(Cc1ccc(OCC#N)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	734152250	KDKZYMLQHKWEJO-UHFFFAOYSA-N	413.399	5.431	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C)c1ccncc1	734667966	VJXOVBJXHACHKQ-DNVCBOLYSA-N	410.518	5.330	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccncc1	734678362	GLIJEGSFZQGUJG-DEOSSOPVSA-N	414.484	5.122	30	20	HKED	
C[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(C2CC2)no1	735163367	MTTQCOGPJZGJOX-LBPRGKRZSA-N	409.829	5.182	30	20	HKED	
CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	735320175	MMROATMOFXYENX-QGZVFWFLSA-N	416.974	5.301	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	737555810	ZQSBEBUJKKOANH-OAHLLOKOSA-N	405.564	5.103	30	20	HKED	
C#Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)cn1	741203191	DKMWMKVOUXFVHQ-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
COc1ccccc1[C@H](C)SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	742454258	BWUCJPIBXDCJGK-YJBOKZPZSA-N	408.548	5.489	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	743095457	JJZDLRYEDGQHMC-GOTSBHOMSA-N	419.912	5.505	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1	744360075	OQSQWIMCVLRLKW-DTQAZKPQSA-N	409.411	5.244	30	20	HKED	
C=CCc1cc(/C=C(/Cl)c2nc(O)c3cc(Cl)ccc3n2)cc(OC)c1O	747064457	WLDBDVYLVPYBPC-OVCLIPMQSA-N	403.265	5.168	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N	747842336	DDGYNRILVOQUNR-TWOQFEAHSA-N	418.928	5.001	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1	748725062	XDSHVVIOKYISPN-PKNBQFBNSA-N	407.926	5.419	30	20	HKED	
N#Cc1ccc(CN2C/C(=C/c3cccs3)C(=O)/C(=C\c3cccs3)C2)cc1	749454120	WHIWZAFLNWXVDR-YZLQMOBTSA-N	402.544	5.233	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(COC3CCCC3)cc2)cc1C#N	752252491	LMCVCDRTDBGOTA-UHFFFAOYSA-N	422.485	5.230	30	20	HKED	
Cc1nc(COC(=O)CSCc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1	757050291	CBXGHWKBRYTWJJ-UHFFFAOYSA-N	412.898	5.152	30	20	HKED	
C[C@@H]1CC(=O)CC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	762996311	RKZISDBHGHCVLY-YVLXSGLVSA-N	407.322	5.298	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)nc1-c1ccccc1	769468100	AFPUDOGKWNZLIB-WMZHIEFXSA-N	415.537	6.093	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1cnccc1C	771555596	NXERHSLRMXJJHN-UHFFFAOYSA-N	407.539	5.182	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ncccc1O[C@H](C)c1ccccc1	771820084	KFUGBIBSCXOPBO-DLBZAZTESA-N	402.454	5.156	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(SC(F)F)cc2)ccc1OC	772987432	VDPZVYILWOQWAJ-WMLDXEAASA-N	406.498	5.542	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccccc1Oc1ccccc1C#N	778178195	PFKLDZQXFBOTIN-UHFFFAOYSA-N	420.852	5.108	30	20	HKED	
CN(CCC#N)c1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	779596015	REZNAPRPNQTYJS-UHFFFAOYSA-N	414.484	5.238	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1csc(-c2cccc(Br)c2)n1	779989564	WHGOCAVTYNJKNF-ZDUSSCGKSA-N	414.328	5.476	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	780153298	WVIFNSBVAKHMTH-QRQCRPRQSA-N	424.472	5.728	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(OC)c(C(C)C)c(OC)c2)cc1	781447190	DIUQYNKBFKJZLR-UZLBHIALSA-N	422.525	5.302	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1	782552758	JLYYTLYUVZKQLE-QFIPXVFZSA-N	407.477	5.054	30	20	HKED	
CC(C)(C#N)CC(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	786461456	GPMOFVLNNPEQHT-UHFFFAOYSA-N	424.806	5.456	30	20	HKED	
CC/C(=C\C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C)cc1	787355341	UKZJTFTWVKTSFN-HTXNQAPBSA-N	401.510	5.010	30	20	HKED	
O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl	790982033	GOCUZXQKKGHXRM-LLVKDONJSA-N	418.671	5.065	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	793122141	PVECNKXXBBNRHX-CABCVRRESA-N	414.408	5.252	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccncc2)cc1F)c1nc(Br)ccc1F	794973674	XQMAJPTVHHIDSM-HYXAFXHYSA-N	401.210	5.080	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccc(Br)cc1	797566264	DLSOARIYGFGQAO-SWLSCSKDSA-N	405.361	5.573	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)s1	797569901	ZGUUDUVKIQXUJB-OWCLPIDISA-N	421.591	5.977	30	20	HKED	
O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1cnn(C2CCCC2)c1	799896441	OXDVVDQRGISQHV-JXMROGBWSA-N	413.930	5.583	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C)Cc2cnc3ccccc3n2)c1	815548737	HQLCGOMVSCYLHI-SFHVURJKSA-N	411.530	5.085	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	873340298	JCXRKWCIWWVRBE-JOCHJYFZSA-N	403.503	5.031	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3cccc(Br)c3)no2)c2ccccc21	904294809	STUOMHGMGUONRB-UHFFFAOYSA-N	407.271	5.425	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104166	MJCXRKVVQJAHMD-ZDUSSCGKSA-N	424.831	5.396	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916590717	IZOBVHJFRMRYCC-AOMKIAJQSA-N	403.457	5.372	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c2)c1	916911736	WYAMUWJBQSYHRX-FQEVSTJZSA-N	418.880	5.189	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc2c(c1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1	917043344	LAIJYPQRURYOTB-INIZCTEOSA-N	416.424	5.059	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1	920140700	GGIHHHLOBOJIAB-IBGZPJMESA-N	421.909	5.371	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccnc3SC(F)(F)F)cn2)cc1	920279439	IVOJYNGQGZBPHU-UHFFFAOYSA-N	416.384	5.005	30	20	HKED	
N#C[C@H](COC(=O)Cc1csc(-c2ccc(Cl)s2)n1)Cc1ccc(F)cc1	920877411	IPQLYLGSHBEKTE-CYBMUJFWSA-N	420.918	5.132	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1	1814829675	IAUHHGGJUQORPE-HZBPUNQASA-N	424.589	5.141	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1	1831377369	YYUPUPCJFCGMLE-YZUZCNPQSA-N	410.602	5.012	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1	1832603675	RDKBHCGOXPXSFL-RXVVDRJESA-N	416.993	5.094	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1	41542016	SWOXVFDZYMGXJE-MRXNPFEDSA-N	403.463	5.215	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccccc1CSc1nc2ccccc2o1	116213675	DARNVVZAJODNRZ-UHFFFAOYSA-N	415.474	5.253	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CC=C(c2ccc(O)cc2)CC1	216848175	MNHVBLHWXQONAQ-UHFFFAOYSA-N	412.514	5.345	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccccc3F)s2)ccc1OC	237021413	CQEQZBZUQDTHTE-KRWDZBQOSA-N	410.514	5.534	30	20	HKED	
O=C(CCCC(F)(F)F)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1	410172974	VMQIRQYSURUPSG-UHFFFAOYSA-N	401.322	5.105	30	20	HKED	
C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cc2ccccc2s1	410303213	PVTXJRDYPRKNDC-HNNXBMFYSA-N	402.475	5.436	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(c2ccc(Br)cc2)CC1)c1ccccc1	410382527	OLQAFNXDYWVRSF-HXUWFJFHSA-N	411.343	5.243	30	20	HKED	
N#CCCC[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccccc1	431376213	LWYJSEJHXXNTKK-WOJBJXKFSA-N	403.448	5.142	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cnn1-c1ccccc1	435374066	HBDDTPCAAOLEFR-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](CSc2ccccc2)C1	438062539	WTHUUHCQRNNWBE-MSOLQXFVSA-N	411.596	5.727	30	20	HKED	
COc1ccc([C@H](NCc2ccccc2C(C)(C)C#N)c2ccccc2OC)cc1	443460756	MIXXDVUIOPDKKM-VWLOTQADSA-N	400.522	5.384	30	20	HKED	
CC1(C)CCC[C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	443660837	ZNISVLQVVFPRTR-UYAOXDASSA-N	423.944	5.019	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)cc1	443925923	WFHCOQJSCSXEDX-HSZRJFAPSA-N	401.510	5.321	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl	447317943	HHMLZFYPVMSDSQ-UONOGXRCSA-N	422.381	5.677	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C(F)F)cc1	460755247	CYJDZQHXYGXWEB-AWEZNQCLSA-N	406.523	5.890	30	20	HKED	
C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1cccc(F)c1	460955773	IUHZFTRFNDVWIN-NRFANRHFSA-N	422.504	5.019	30	20	HKED	
N#Cc1ccc(-c2nnc(N3C[C@H]4CC[C@H]3c3ccccc34)n2Cc2cccs2)cc1	461472483	BLFCSLBZMKBRRL-XXBNENTESA-N	423.545	5.365	30	20	HKED	
CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	461888150	JZZCDWBDQBVOEV-RBUKOAKNSA-N	408.571	5.214	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(S[C@H](c2ccccc2)c2ccc(F)c(F)c2)n1	463251142	UHEHKFALFVGLPW-HXUWFJFHSA-N	410.445	5.290	30	20	HKED	
C=C(C)[C@H](NC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc(F)c(F)c1	463275317	USJJGQNBIAWHFB-NRFANRHFSA-N	404.888	5.130	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)cccc1Br	463576023	HSRVKGIAVKAABQ-UHFFFAOYSA-N	421.294	5.982	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1	464828470	GERAMJHVHCMUBE-ZWOKBUDYSA-N	411.571	5.252	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1	464940041	KGGDAOJIFWTAJV-DQEYMECFSA-N	421.500	5.049	30	20	HKED	
C[C@H](OC1CCCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	471190651	IKYSJPJTYNHXCR-IBGZPJMESA-N	406.526	5.398	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCC(=O)c1ccc(Cl)cc1	474572492	FNGLTBNIKNRLHC-CQSZACIVSA-N	418.971	5.146	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2nc(C)co2)ccc1C	476650995	DUEVHGAPOXXDKK-UHFFFAOYSA-N	407.518	5.346	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	482379036	BVFCTHKROCNPLB-ABKXIKBNSA-N	408.317	5.249	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	482383651	ZEWHRHXGUSLGJT-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c3c2CCC3)c(C)c1	483212571	SBONOODJVVYJMP-NRFANRHFSA-N	406.489	5.016	30	20	HKED	
CC(C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(F)cc1	484329887	CBPGBWYGBBCSGU-UHFFFAOYSA-N	406.432	5.332	30	20	HKED	
C[C@H](SCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1	486573930	KGVHNLVBROMDSJ-RNXZQOMOSA-N	422.598	5.068	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)ccc1F	488927180	WLNMBGCHWZDRLQ-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	489005710	DIGMDXCPUUQEEX-GIGWZHCTSA-N	403.547	5.434	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1cc(C(F)(F)F)ccn1	499455595	OIYIYTOZCDTDSD-AWEZNQCLSA-N	424.300	5.869	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)C3(c4ccccc4Cl)CCOCC3)n2)c1	501089607	BYSXKJJMCNBSMW-UHFFFAOYSA-N	423.925	5.022	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cscc3Br)c2)c1	506446814	XDYNYJYAXDVLAU-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C1CC1	507261456	GYPGKNABCRPVGU-UHFFFAOYSA-N	414.509	5.119	30	20	HKED	
CC1(C#N)CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1	507835439	ARLFPELZNMNCAZ-UHFFFAOYSA-N	416.546	5.760	30	20	HKED	
C=C(C)CCc1noc([C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)n1	508598158	FHYCRQSLHJOXQQ-URXFXBBRSA-N	401.510	5.226	30	20	HKED	
Cc1ccc([C@H](C)N(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	510208244	HYAYGPGYOHTGSQ-HNNXBMFYSA-N	423.567	5.235	30	20	HKED	
CC(C)[C@H]1C[C@H](CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	513680082	KNTIGALBRRZEQY-ZJSXRUAMSA-N	408.517	5.067	30	20	HKED	
N#CCCN(Cc1ccccn1)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	513746193	PYYATLXUIMUFBX-UHFFFAOYSA-N	402.445	5.140	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NCc2ccc(C#N)cc2F)cc1	515672015	PNGKVRQBODWLGS-UHFFFAOYSA-N	401.485	5.859	30	20	HKED	
COc1ccc(Br)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	517843565	XHWYTXZGEOJTDV-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	520634100	PSOYYVMOANUBJA-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
Cc1nc(-c2ccc(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cs1	521729167	DUROAUQCSITFFL-HNNXBMFYSA-N	423.563	5.530	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2c(F)cccc2Cl)cc1OC	521834054	KHERRXYZZJFWFS-UHFFFAOYSA-N	414.702	5.105	30	20	HKED	
COc1ccccc1C1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	522840718	CIGPFDAZXUOHSJ-HXUWFJFHSA-N	416.908	5.674	30	20	HKED	
Cc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OCCC(C)C	523576508	OSANXSBBEVIGEB-UHFFFAOYSA-N	421.541	5.367	30	20	HKED	
Cc1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1OCC1CCCCC1	524946863	LLXXHYOLSGDHQX-UHFFFAOYSA-N	423.582	5.620	30	20	HKED	
Cc1cnccc1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	533171258	RDSGKPQKZXUWMH-UHFFFAOYSA-N	406.873	5.072	30	20	HKED	
CC(C)Oc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)n1	534373745	PUAFMYQTIUONBZ-UHFFFAOYSA-N	409.433	5.146	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)c1	535673959	BYGQDJVDLSYQPN-UHFFFAOYSA-N	419.569	5.162	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2noc(C(F)F)n2)cc1	536100899	FWHKAUFWMHRIIL-UHFFFAOYSA-N	409.845	5.218	30	20	HKED	
C=C[C@H](CC(=O)Nc1c(F)cc(C)cc1I)c1ccccc1	536574264	ZNJAWXLYWFXOHU-CYBMUJFWSA-N	409.242	5.037	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccoc2)c1	537553005	FNTADBYRZMLIEG-UHFFFAOYSA-N	423.428	5.448	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2)cc1	539632584	KKWCDSIMUKBPHA-UHFFFAOYSA-N	412.489	5.219	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)nc2ccccc21	542804701	ZHCOTWTWOMFTAQ-FQEVSTJZSA-N	420.447	5.418	30	20	HKED	
O=C(N1CCC=C(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	544054699	VXAURZXPSHBKIE-AYZSHTAMSA-N	413.377	5.194	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1	544742689	NODCJYUHCLNYGN-GOSISDBHSA-N	403.309	5.426	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)CCCCc2ccc(Cl)c(Cl)c2)CC1	548835930	GJZZCEMFMWAOOR-UHFFFAOYSA-N	416.352	5.185	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(COC(C)(C)C)c1C	554455990	NEFFYRWBKKDTTH-UHFFFAOYSA-N	400.519	5.006	30	20	HKED	
CN(Cc1ccccc1N(C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	554751049	PQNUZRPEOXUHCG-UHFFFAOYSA-N	400.482	5.080	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2cccnc2)C2CC2)cc1Cl	559822096	ZAGLRFBLXFSQSP-GMAHTHKFSA-N	416.912	5.663	30	20	HKED	
C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(CCC#N)c1ccccc1	560990984	UEKDHLCKOBVHKI-IIBYNOLFSA-N	415.459	5.081	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1	566888434	KGEXYAQWUNKGBY-FCHUYYIVSA-N	422.912	5.178	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(F)cc1N1CCCCC1	569861875	VGFLCFSUAWSYIS-PGRDOPGGSA-N	424.495	5.259	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1ccc(OC(F)F)cc1	569878383	NVMIXXITMOWTDV-UHFFFAOYSA-N	406.432	5.326	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	580206394	CZRAOFTVOXJMLM-LADGPHEKSA-N	414.484	5.500	30	20	HKED	
C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(NC(=O)Cc2ccccc2F)c1	580249326	COHCHTPJQNGBES-SSOJOUAXSA-N	413.496	5.217	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	583619354	PAZFHLKKQVDTMA-JOCHJYFZSA-N	412.524	5.634	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1	592975491	HBAZSRQBHZUFHI-OAHLLOKOSA-N	423.494	5.448	30	20	HKED	
COC(=O)CCSc1cc(Cl)ccc1NCc1ccccc1C(C)(C)C#N	600856431	MOPCGDMQICVHGB-UHFFFAOYSA-N	402.947	5.408	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(F)cccc3Cl)cc2Cl)cc1	604026641	FDWXNXVEHFWFDD-UHFFFAOYSA-N	401.224	6.049	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COCCc2ccccc2)cc1Cl	604504255	IQCUPCPOCXEQBY-QFIPXVFZSA-N	404.897	5.193	30	20	HKED	
COc1ccc(CCN(Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1	608918450	WUCZQXFEJURQIL-FQEVSTJZSA-N	413.521	5.082	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CNc1ccccc1Cl	609072539	PKFBZARFMVZEKA-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
CC(C)c1nc(CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1	609209626	FDYRMXOWSGODNS-UHFFFAOYSA-N	406.511	5.295	30	20	HKED	
Cc1nc(C)c(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	609399303	RNAIEMMLWAETNT-IBGZPJMESA-N	424.957	5.433	30	20	HKED	
CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	609437673	JZJUUDJEUNXMKW-HTAPYJJXSA-N	423.582	5.313	30	20	HKED	
CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1	609464518	LLALBASIKPSOHO-MHZLTWQESA-N	415.581	5.228	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3cccnc3)c2)cc1	609644085	SVKJHPIMUSBTJG-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F	609722757	CNQNZKSOFAYTQV-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nc(C)c(SCC#N)s1	609754218	HBPOJFAZSCCUJS-CYBMUJFWSA-N	424.389	5.037	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1	609811286	XTIPSVPOUWSVTB-LAUBAEHRSA-N	408.571	5.516	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1cccnc1)c1ccccc1	609820754	BIVFJYISNJOBJC-IBGZPJMESA-N	416.550	5.121	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3ccccn3)CC2)cc1F	611095555	PFTDGAYKDOJQRY-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1ccco1)c1nc2cc(Cl)ccc2s1	613406946	BPGCSKVXDXPSFQ-INIZCTEOSA-N	424.934	6.325	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cs1	726458434	CHUYRPNHLUSUAC-LBPRGKRZSA-N	412.971	5.691	30	20	HKED	
C=CCOc1ccc(/C=C(/Cl)c2nc(O)c3cc(Cl)ccc3n2)cc1Cl	727263974	KJEMULINZMKYKZ-OQLLNIDSSA-N	407.684	5.944	30	20	HKED	
CC(C)CCO[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	729068878	BEBYQJTUMXNZCU-WFASDCNBSA-N	411.354	5.744	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1	730092203	DDSFSCXKOGVTAZ-MRXNPFEDSA-N	420.296	5.335	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl	732434745	FVYBNMFYYLKICS-PXAZEXFGSA-N	424.353	5.100	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(SC)sc3c2)c1	733842466	WFGUTDVITVQSJX-OAHLLOKOSA-N	412.540	5.021	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1	733842883	DEOONGJJKZDNMV-KRWDZBQOSA-N	401.894	5.130	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	734080939	ATUIVPOPDMIAJP-XERWZBGXSA-N	403.507	5.272	30	20	HKED	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	739668635	HLLUGGGQGGXWNO-MLRPBERTSA-N	414.509	5.190	30	20	HKED	
Cc1cccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	740535302	MAYHWSMYZASXBY-CXAGYDPISA-N	415.345	6.405	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	742996108	XCMITYRGOLAYGQ-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	743096795	RCXHBUNJMGXRFO-IZZNHLLZSA-N	424.548	5.080	30	20	HKED	
C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C1CCCCC1	744854322	DXYPEHLBZJWXHJ-GOSISDBHSA-N	421.516	5.117	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S	746034187	ZRTAGTNWDONCIR-UHFFFAOYSA-N	417.582	5.315	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1OC	746339705	CCPFNAXFZPHUDZ-IPVAERDFSA-N	414.505	5.213	30	20	HKED	
N#Cc1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(Cl)c([N+](=O)[O-])c1	746480685	BHFIJIXVBZDHGP-HXUWFJFHSA-N	423.881	5.592	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OC	746522945	NYLTYRMBQNHZPB-BBRMVZONSA-N	421.324	5.103	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2ncc(C(C)(C)C)o2)cc1C	747695284	WKXWABLPRWBLGB-KRWDZBQOSA-N	420.513	5.284	30	20	HKED	
CC[C@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	749025436	MOOSEGUPKOUMTK-WFASDCNBSA-N	422.403	5.488	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1	749361370	YZONITOCRYMKFN-LJQANCHMSA-N	401.510	5.021	30	20	HKED	
C[C@H](OC(=O)c1cccc(C(F)(F)F)c1F)C(=O)Nc1ccccc1C(F)(F)F	750976616	JTXSYHXPJHZAOL-VIFPVBQESA-N	423.284	5.047	30	20	HKED	
CC(Cn1nc(C)cc1C)=NO[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760435090	USUBTHRKYLSPQS-CYBMUJFWSA-N	408.289	5.010	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1	762776825	FGBDILOOTDABNY-ZHRRBRCNSA-N	416.352	5.645	30	20	HKED	
Cc1cc(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1	763479031	SNNFQPGVIPWSPJ-LJQANCHMSA-N	404.853	5.402	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)n2)cc1	768781159	NCDOPXGNTDPXNK-IRLDBZIGSA-N	419.525	5.099	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)ccc1OC	772977929	DIBYTXORIBAMOV-GXTWGEPZSA-N	411.304	5.673	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2sccc2Br)ccc1OC	772984439	FOOYYLVVDRKIKI-OCCSQVGLSA-N	409.349	5.051	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)ccc1OC	772985673	LWZDZZCGTPRPNQ-YOEHRIQHSA-N	408.420	5.126	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1	773768974	HGWLFPNWSZKKCV-FQEVSTJZSA-N	406.894	5.452	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1ccc(F)c(C#N)c1	782424323	YKMCBVAYMCEQLE-UHFFFAOYSA-N	404.319	5.037	30	20	HKED	
Cc1cc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)oc2cc1C	783077731	XTEYTTHUBSNCHU-AWEZNQCLSA-N	401.249	5.318	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc2cccnc12	783804432	NXSGBJQWPYFHFW-UHFFFAOYSA-N	409.518	5.050	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(Cl)c(Br)c2)c2ncc[nH]2)c1	787169958	QVKMYRAJSYWCQV-OQLLNIDSSA-N	417.690	5.258	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1	789719398	PINJTSUYBVTVIM-UHFFFAOYSA-N	420.431	5.988	30	20	HKED	
CCC1=C(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCCO1	790361514	COSPSBOWDAZICP-UHFFFAOYSA-N	421.444	5.037	30	20	HKED	
N#CC[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	796670477	MOCBPJBCQPLDRN-CVEARBPZSA-N	407.445	5.352	30	20	HKED	
C#C[C@H](NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)c1ccc(F)cc1	812924453	LLVCSROWPAMRMX-NRFANRHFSA-N	416.456	5.274	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)ncc2Br)sc2c1CCCCCC2	812924662	OWFSPRZLYWJDJK-UHFFFAOYSA-N	424.751	5.342	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](O)c2ccc(Cl)cc2)cc1Cl	813410255	OANXTEJMNVMKMV-TZIWHRDSSA-N	411.288	5.321	30	20	HKED	
CC(=NNc1nc(-c2cccnc2)no1)c1ccc2c(c1)Nc1ccccc1S2	814948095	YDKVAUDDQJNEAP-UHFFFAOYSA-N	400.467	5.176	30	20	HKED	
CC(C)(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	883977430	IMEVROCZZWUGNC-IAZYJMLFSA-N	417.340	5.268	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915087297	RZCLXOOPKCETRX-CLJLJLNGSA-N	421.500	5.245	30	20	HKED	
COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc(Cl)c1O	916138410	MQHGVXXVGWVVOG-LFIBNONCSA-N	421.905	6.087	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2nc3ccccc3s2)cs1	916246960	ZOMOFRPPLAGFJD-UHFFFAOYSA-N	421.551	5.500	30	20	HKED	
CCc1cccc2c(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c[nH]c12	916283570	IFVNEGACWFJDOY-UHFFFAOYSA-N	412.518	5.359	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C	916899006	HPGDKWPBWHLFRC-JOCHJYFZSA-N	424.500	5.980	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(C(C)(C)C)cc1	916904035	ZMTVFYSWIRKRTK-YFWYWMRJSA-N	424.928	5.315	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)CCCCCC3)cc1Cl	916940837	ZQMBQBDSGHKREO-HNNXBMFYSA-N	416.930	5.030	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(Cc2cccc(Cl)c2)C(C)C)c1=S	917462994	ULQUZJNPHVVXEG-UHFFFAOYSA-N	413.978	5.184	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc4c(C)c(C)[nH]c34)n2)cc1	920139111	NIHILTQOASMHNV-LJQANCHMSA-N	401.491	5.407	30	20	HKED	
Cc1ccc2c(c1)C/C(=C\c1cc(Br)c(O)c(Br)c1)C2=O	921263990	MYKCFBMTPWNVJG-LFYBBSHMSA-N	408.089	5.048	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1	1791726577	YPFRJQUIVWEFQE-FQEVSTJZSA-N	416.512	5.140	30	20	HKED	
COc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1cccs1	6035882	FOLUHURUTYJSEC-UHFFFAOYSA-N	404.520	5.168	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1	7188072	DKLOQGWSOMWTQS-LLVKDONJSA-N	413.852	5.362	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2)c1	10830834	DMFJKLULOVSHHH-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(\S)Nc1ccc(OC)cc1	22731229	JSYSCFHUUIONSL-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
COc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(OC)cc1Cl	32040195	AANDLZZQVXWLQW-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	41538340	UMURARXRUJCZRU-CQSZACIVSA-N	418.261	5.515	30	20	HKED	
CC1=NN(c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)CC1	51154724	ZKHRXVIYFKCURP-FQEVSTJZSA-N	400.507	5.195	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCSCc2ccccn2)cc1Cl	108964553	SMBAOVJHRMFBBC-OAQYLSRUSA-N	421.953	5.652	30	20	HKED	
CCOc1ccc(-n2c(SCCCCC#N)nnc2-c2cccc(OC)c2)cc1	195562853	SYTAMTBIVRPRHC-UHFFFAOYSA-N	408.527	5.128	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	195652805	VQJRFGSZWZMWJW-MGPUTAFESA-N	424.422	5.700	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N(C)Cc3cccc(C#N)c3)s2)cc1	303266497	GHKGGQLYDKNXQB-KRWDZBQOSA-N	404.539	5.201	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	303374220	KIGLXOYXTFGEMF-ZWKOTPCHSA-N	410.587	5.189	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1	303447893	IXQJBQISIVRQSW-XOKHGSTOSA-N	404.457	5.842	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	428890573	UYHHWKGWLJEFDA-SFHLNBCPSA-N	422.598	5.113	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](c4ccccc4)C3)s2)cc1	431692396	OZBCNQCAMRHLDN-HXUWFJFHSA-N	402.523	5.017	30	20	HKED	
CN(Cc1cccc(N(C)C)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	431846824	KATBHYKKKGOGOB-UHFFFAOYSA-N	400.482	5.080	30	20	HKED	
Cc1ccc(Oc2ccccc2NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1	433028730	PSDPDNNQCXOKMF-HSZRJFAPSA-N	413.521	5.751	30	20	HKED	
C=CCN(C(=O)[C@H]1CCOC[C@@H]1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	435664582	MYIKKDLGOLCMBA-AVRDEDQJSA-N	418.562	5.669	30	20	HKED	
COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	437601183	FQUROECDGGMUNX-QGZVFWFLSA-N	417.534	5.409	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	437676446	TZRJHVHLRPWUJL-UHFFFAOYSA-N	423.925	6.072	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)c(C)c2)n1	439374125	VHJCOJNQVVWSBU-FQEVSTJZSA-N	422.579	6.078	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(Br)c3)n2)cc1	442681635	NLJLKUZQYLIZAI-CQSZACIVSA-N	415.287	5.510	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nc(Cc3ccccc3)cs2)c2ccccc21	444370038	WEFFSPQXNAQJPE-UHFFFAOYSA-N	400.507	5.245	30	20	HKED	
CC[C@@H](N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(C#N)cc1	447537397	VOXDHPKFYNJGNA-FDDCHVKYSA-N	401.510	5.343	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H](C)c1cccc(C(F)(F)F)c1	460770457	MCMXRHWBCPWWNW-HDMKZQKVSA-N	408.468	5.168	30	20	HKED	
COc1cc(OC)cc(N(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	468150562	RTGFPMAAXVNZHF-UHFFFAOYSA-N	422.868	5.298	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](c2ccsc2)O1	470804701	UEBXPBXHWGRPOA-AOMKIAJQSA-N	419.506	5.406	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1	475177525	YSUXNYCFCYBLQJ-MRXNPFEDSA-N	408.546	5.161	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1	475322237	OCBQGGGDUJPMGF-GOSISDBHSA-N	405.885	5.340	30	20	HKED	
CC(C)(C#N)CCCSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1	475928651	JLFGZFLTCFYMRZ-UHFFFAOYSA-N	401.919	5.113	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccn(C2CCCC2)n1	477345442	BCFBAIBPKYXIHM-INIZCTEOSA-N	414.600	5.122	30	20	HKED	
N#CCSc1cccc(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)c1	481643962	KYZAZXMCGADBQJ-UHFFFAOYSA-N	404.322	5.063	30	20	HKED	
CN(C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CCC1	482347520	OUAXSTUSWRKDJQ-LBPRGKRZSA-N	422.291	5.522	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nccc2ccccc12	483238841	XCXWENICPWTEDW-KRWDZBQOSA-N	422.362	5.883	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC)c1ccc(F)c(F)c1	483288841	KFBPQDBOMMRFEC-FCHUYYIVSA-N	424.495	5.498	30	20	HKED	
N#CC[C@H](CC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1)c1ccccc1	483466810	XNTHGLYAKMOBRJ-RCZVLFRGSA-N	423.516	5.061	30	20	HKED	
CSc1cc(O)ccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	486954791	JLRCKLSRDAVMCX-UHFFFAOYSA-N	423.469	5.348	30	20	HKED	
Fc1ccc([C@H](NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C(F)(F)F)cc1	488235733	UIOGATUWQHKDIE-HNNXBMFYSA-N	419.300	5.288	30	20	HKED	
CCc1cnccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	490401128	OCAMHMNIDGBFEV-OAQYLSRUSA-N	404.901	5.275	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccnn1-c1ccc(C#N)cc1	497918533	HLKHTGPGNSJPNH-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
N#Cc1ccc(NC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1	502823308	FJNWTALTDOSMKZ-UHFFFAOYSA-N	415.840	5.591	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cnc(-c4ccc(F)c(F)c4)s3)n2)c1	503620745	UZKGITLOUQRFFA-UHFFFAOYSA-N	424.457	5.336	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)c1	509212477	RXVBTXQZCOOOFU-UHFFFAOYSA-N	422.893	5.386	30	20	HKED	
C[C@H]1c2cccc(Br)c2CCN1C(=O)N[C@@H](CCC#N)c1ccccc1	509213368	UWJVFCKUEUFXGF-YWZLYKJASA-N	412.331	5.123	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1cccc(Cl)c1Cl	512101020	RTHFINJIDFBVQL-IBGZPJMESA-N	424.287	5.240	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1	512802091	QLCGAXUUTCJFMQ-ZWKOTPCHSA-N	423.532	5.081	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2(c3nccs3)CCCC2)cc1	523817866	QUEHPTPBHSFNEQ-UHFFFAOYSA-N	407.470	5.145	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1	523884674	XORCQBHWKCQFJF-NRFANRHFSA-N	403.869	5.376	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3cccc(F)c3F)cc2F)c1	524460566	NAEUDWOMHSHMLX-UHFFFAOYSA-N	410.395	5.126	30	20	HKED	
Cn1c([C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)nc2ccccc21	524698976	NGGRKVOBMHFTRM-NRFANRHFSA-N	415.884	5.009	30	20	HKED	
Cc1cc(C(=O)N(C)C[C@@H](C)C#N)ccc1N[C@H](C)c1cc(Cl)ccc1Cl	524973533	ALYNBQGBHWYTIR-DZGCQCFKSA-N	404.341	5.707	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)cc1	525335808	BDYUILFIILYKJI-UHFFFAOYSA-N	404.335	5.484	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)C[C@H](C)C#N	535168110	RVTZGOIQNPQAMG-GFCCVEGCSA-N	411.358	5.116	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)n1	535312920	FQALKXJPVSBBCH-IBGZPJMESA-N	403.507	5.033	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	536376327	WXGFGNAUBMFRBE-UHFFFAOYSA-N	419.912	5.494	30	20	HKED	
C[C@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(C#N)c(F)c1	537405265	ATLDKDHSAXHYAN-IBGZPJMESA-N	410.496	5.460	30	20	HKED	
Cc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)nn1-c1ccc(Cl)c(Cl)c1	537455579	GAOSYXOTCMGEQG-UHFFFAOYSA-N	419.699	5.289	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c3ccccc3n2)cc1	540947361	QSQXORFHPDMLNO-HXUWFJFHSA-N	418.456	5.277	30	20	HKED	
C[C@]1(CCCO)CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	541705706	FJFMBKPSNVWDNY-JOCHJYFZSA-N	413.905	5.163	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F	542538152	MFSQLQAWPHITBI-OAHLLOKOSA-N	419.412	5.449	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)cc1	548973375	HWTROLGADGFODD-IAGOWNOFSA-N	423.513	5.074	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cc2ccccc2)[nH]n1)c1nc(-c2ccc(Cl)cc2)cs1	556566707	PHTIDARCHYLXOB-GOSISDBHSA-N	418.909	5.267	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3nc(-c4ccccc4Cl)cs3)cc2)ccn1	562232766	ZROUTVUATJMWCR-UHFFFAOYSA-N	418.909	6.135	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2cccc(F)c2[C@@H]1C	568802828	GZIXDXANARMSDE-INIZCTEOSA-N	424.545	5.028	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSc1ccccc1Cl	573347596	BYWVOITVAGKDIX-UHFFFAOYSA-N	423.925	5.828	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1	577565031	HEXGCVLNZAKTBH-CQSZACIVSA-N	407.499	5.044	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	604003573	FYTMOHRLZGMNIT-JPYJTQIMSA-N	414.505	5.619	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604047806	VPWFZVDXUGCACT-QGZVFWFLSA-N	419.912	6.060	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CSC[C@@H]3CCCCO3)cc2Cl)cc1	608941090	VFGQSCYROPZJFD-SFHVURJKSA-N	416.930	5.245	30	20	HKED	
CC[C@H](NC(=O)CNc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	609384735	NURCAHVDGOZQRM-YJBOKZPZSA-N	401.963	5.271	30	20	HKED	
Cc1cc(C)cc(OCCSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	609388153	NGTBOSULZSCGNU-SFHVURJKSA-N	414.596	5.306	30	20	HKED	
CC(C)Oc1ccccc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N	609389710	JKCMNWLTXFGXLW-QGZVFWFLSA-N	414.596	5.740	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(C(F)(F)F)cc1	609398232	LWCUBAOUKVBWAH-CQSZACIVSA-N	407.461	5.321	30	20	HKED	
COCCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H](C)c1ccccc1	609499660	WQDAZUXNCZOPSU-HXUWFJFHSA-N	414.505	5.395	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1	609603723	CDZVEMNKHJKTIQ-UHFFFAOYSA-N	401.466	6.114	30	20	HKED	
Cc1cc(CN(C)C(=O)c2ccc(C#N)cn2)cc(C)c1OCc1ccccc1Cl	609652670	ALDPPEFOUCAWQM-UHFFFAOYSA-N	419.912	5.075	30	20	HKED	
N#C[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(OCc2ccccc2)cc1	609793067	KGNDRXGRYJYJKF-NRFANRHFSA-N	400.409	5.146	30	20	HKED	
Cc1csc(C2(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CCCC2)n1	609989225	LCTZNAWEQIJDRA-UHFFFAOYSA-N	402.523	5.266	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	610149227	ZBYKKSQVAVCXPJ-UHFFFAOYSA-N	413.852	5.530	30	20	HKED	
CC(C)=CCOc1cccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	610223912	QMWCNCJTRXWFDZ-UHFFFAOYSA-N	413.477	5.651	30	20	HKED	
N#CCCn1cc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)c(-c2ccccc2)n1	611259265	BRJJMFGNCOINFS-QFIPXVFZSA-N	409.537	5.325	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2c(F)cccc12	613318778	FHNIMDBRZYSXSI-OAHLLOKOSA-N	410.857	6.147	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	669813763	LXCLNWOGQYWPQQ-LJQANCHMSA-N	413.525	5.005	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc(OC)c1O	727654020	FMMLIFGUKNSRSL-WTKPLQERSA-N	415.898	5.391	30	20	HKED	
N#CCOc1ccc(CNC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1	727677523	DAAGIEVZMPHWCF-BENRWUELSA-N	408.910	5.300	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)NCc3ccc(OCC#N)cc3)c2)c(C)c1	727678985	VDESRYUJFYAJGD-UHFFFAOYSA-N	416.546	5.428	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(Cl)c(Cl)c1	727996633	KCJIAWNHHGGDLI-UHFFFAOYSA-N	412.276	5.400	30	20	HKED	
COc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(C(F)(F)F)c1	728268677	UEFUVNVJGNPTLZ-UHFFFAOYSA-N	413.399	5.246	30	20	HKED	
CC(C)[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	728766900	OTTRZHOJAPECPG-OALUTQOASA-N	416.493	5.479	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCc3cncc(Br)c3)cc2)cc1	731971502	DINNLYJFRFMWGK-UHFFFAOYSA-N	423.266	5.059	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1)c1ccncc1	734667242	BRSYQKAXCMDKIB-CPJSRVTESA-N	415.537	5.647	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2s1	735396068	LOISPFZUYSXBNI-HOCLYGCPSA-N	413.340	5.504	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)CC1CCC1	740888260	DPHRYABUTVWEJZ-AVRDEDQJSA-N	410.521	5.087	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	741519146	IVDPENZAXRKYEO-UHFFFAOYSA-N	415.232	5.280	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)ccc1OC(F)F	741753062	RNMPHNDSBYELKG-NSHDSACASA-N	423.803	5.112	30	20	HKED	
FC(F)(F)COc1ccc(CON=Cc2cccc(OCc3ccncc3)c2)cc1	742355052	RTOFIPIHMKVTNB-UHFFFAOYSA-N	416.399	5.152	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(OCCCOc2ccc(C#N)cc2)cc1	742361966	ACIJPBLRGLCBEY-UHFFFAOYSA-N	420.896	5.336	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	742510178	JAYFGTQYXDYEEX-XLIONFOSSA-N	414.571	5.165	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)cc1	742513029	YYOWVGZAUGNELN-WYMLVPIESA-N	403.404	5.055	30	20	HKED	
CCCCOc1ccc(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)cc1OC	743056357	DYVJEIQFQFHGIQ-XFFZJAGNSA-N	404.466	5.353	30	20	HKED	
Cc1cc(Br)ncc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	746008384	LCZFNBJWRNSEKP-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](c3ccccc3)[C@@H](CC)C2)c1	746417928	MQUAWFIWNJIAFU-BGWNEDDSSA-N	405.542	5.093	30	20	HKED	
COc1cc(C2(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)CCC2)ccc1C	750396560	AOCOODVAIZPENA-MRXNPFEDSA-N	409.436	5.047	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)OC[C@@H](C#N)Cc2ccccc2)cs1	750781169	QYEMBCDYDRQINQ-GOSISDBHSA-N	408.548	5.283	30	20	HKED	
COc1cccc(COc2cccc(NC(=S)Nc3ccccc3C#N)c2C)c1	755398641	PLYXMJURDGFWEQ-UHFFFAOYSA-N	403.507	5.263	30	20	HKED	
C=C(C)[C@H](CC(=O)O[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)OCC	756567605	WGFKJOKJQOWQPW-PXNSSMCTSA-N	410.436	5.007	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(CC(C)C)cc1)[n+]1ccc(C(CC)CC)cc1	759062491	AYXPQOLOXBRBGM-UHFFFAOYSA-O	421.630	5.510	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	761360900	TVZJXBAZOHPFMD-UHFFFAOYSA-N	421.840	5.435	30	20	HKED	
Cc1nc([C@H](C)OC(=O)Cc2ccc(OCC#N)cc2)oc1-c1ccc(Cl)cc1	763974552	YRIZLFAIHBUTDM-HNNXBMFYSA-N	410.857	5.053	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1NC(C)=O	764431478	DHSFDZQDWYAUFT-QPEQYQDCSA-N	419.452	5.268	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccncc1	768075601	APKSTIPREJAHEI-RBBKRZOGSA-N	406.917	5.030	30	20	HKED	
CN(C)c1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1F	770112141	UCKNZJQPGFKIOY-LBPRGKRZSA-N	407.392	5.010	30	20	HKED	
CN1CCC(N(C)c2ccc(NC3CCC(C#N)(c4ccccc4)CC3)cc2)CC1	770405632	HCVBALJWYLJKGM-UHFFFAOYSA-N	402.586	5.033	30	20	HKED	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1cn(CCC#N)nc1-c1ccccc1	771935185	NKYKHVGRBMGJEO-UHFFFAOYSA-N	413.569	5.086	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)ccc1OC	774234881	DNDKGDRHDJAPIA-TZMCWYRMSA-N	409.313	5.239	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2cc(F)c(Cl)nc2Cl)n(-c2ccccc2)c1C	776816596	DWLDEXWXMSEYNF-UHFFFAOYSA-N	403.244	5.059	30	20	HKED	
CCCCCOc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777114693	LQIRZQYTFIBIDV-LJQANCHMSA-N	407.558	5.261	30	20	HKED	
CC(=O)N1C/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)c2ccccc2C1	778520273	RLRFBYRQRHNRSZ-HMAPJEAMSA-N	415.464	5.033	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cc(F)cc(F)c2Br)cc1Cl	785475408	WEPKSGVLOZRMKP-UHFFFAOYSA-N	402.651	5.061	30	20	HKED	
Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1C(C)(C)C	787185914	DCSNGUDJNUFWLE-OUKQBFOZSA-N	421.928	5.748	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1	789452150	QRJPCPWXGSHPPI-OAHLLOKOSA-N	424.932	6.125	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)cc1	795988631	ZJMOPJHNDKSWFS-RDGATRHJSA-N	412.489	5.306	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(F)c2ccccc12	796362591	VZTZSGQQCHAMQG-HNNXBMFYSA-N	422.481	5.026	30	20	HKED	
Cc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)sc2ccc(C#N)cc12	796615016	MFKOIKMNJUFREW-LBPRGKRZSA-N	407.426	5.189	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSCc3ccccc3)n2)cc1	796660199	CAGVJHJIQKHATN-IBGZPJMESA-N	408.548	5.318	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)s1	797568440	RNUJOKXOBCNQOC-SJWLEHQBSA-N	412.864	5.916	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1Cl	799901117	UZEMUODWFMRMBU-UHFFFAOYSA-N	403.788	5.101	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(-c3cnn(C)c3)s2)ccc1SC(F)F	800793705	OKPGKOFZEMXRDI-XQRVVYSFSA-N	406.479	5.368	30	20	HKED	
N#CCCCCCC(=O)Oc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1	805896666	BWWULCQCEOONOA-UHFFFAOYSA-N	404.388	5.337	30	20	HKED	
COc1ccc2c(c1F)C/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O	809155800	GCSGARFCAGXFGI-GDNBJRDFSA-N	422.481	5.106	30	20	HKED	
CCOc1c(Cl)cc(C=NOCC(=O)Nc2ccccc2C(C)(C)C)cc1OC	826555026	OUKSTOZOFBABDW-UHFFFAOYSA-N	418.921	5.034	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccccc2F)s1	912803642	XRBMPOGBLRZGOY-UHFFFAOYSA-N	424.526	5.382	30	20	HKED	
CN(Cc1cccc(C#N)c1)Cn1nc(SCc2ccc(F)cc2)sc1=S	914783382	CXPUXOKALTYCFI-UHFFFAOYSA-N	416.572	5.067	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1	915085346	ATZMTPLXPDKZLF-DEOSSOPVSA-N	418.500	5.657	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1ccccc1OCc1ccccc1	916341647	IBNHKSUUZYVHAX-UHFFFAOYSA-N	400.507	5.003	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc2ccccc2s1	916627517	ZYJRKLDOMFLZMT-CYBMUJFWSA-N	405.306	5.639	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2ccccc2s1	916885770	BJCLLDSUIDJTSG-AWEZNQCLSA-N	402.447	5.177	30	20	HKED	
CSCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916906754	VJWBISOMNPIMGR-FQEVSTJZSA-N	416.502	5.303	30	20	HKED	
C(=NNc1ncnc2sc3c(c12)CCC3)c1c(-c2ccccc2)nc2sccn12	917025924	IYGLXBFMHUJXAD-UHFFFAOYSA-N	416.535	5.002	30	20	HKED	
CC1(C)CCc2nc(O)c(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)cc2C1	1567891773	LFJBWRPBOSLEJI-UHFFFAOYSA-N	413.477	5.218	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1	1814443019	HWFUFVLLLOENPH-ICSRJNTNSA-N	412.578	5.141	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2F)CC1	1823753984	UMOXPLPDNPTADE-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1	1832603673	RDKBHCGOXPXSFL-GHTZIAJQSA-N	416.993	5.094	30	20	HKED	
COc1ccccc1-c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(C)cc1	4366141	QOLFLKBKCSCGAC-UHFFFAOYSA-N	412.518	5.415	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccccc1	7741262	NKJCSECMACRCII-WYMLVPIESA-N	419.452	5.138	30	20	HKED	
Cc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(O)c2)c1C	10167790	VPAUVKZQFXYQNZ-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccccc2CC)cc1	10168284	UYABIHOJGUUNQS-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
N#CCCN(C(=O)CSc1ncc(-c2ccc(F)cc2)o1)c1cccc(Cl)c1	10715215	DFNBLXRFIANWAV-UHFFFAOYSA-N	415.877	5.173	30	20	HKED	
Cc1oc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C	11240592	NNBTZVZNVBHDMI-UHFFFAOYSA-N	423.277	5.085	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(C(C)(C)C)cc1	27311068	BNHCVLBXEZBNJK-UHFFFAOYSA-O	421.630	5.255	30	20	HKED	
C=CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1ccco1	29549318	XQDIALQJPBLDML-UHFFFAOYSA-N	422.554	5.182	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	65652006	RTYKQCBAMQUARQ-ZDUSSCGKSA-N	405.357	5.022	30	20	HKED	
CC(C)n1cc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)cn1	72047953	VPDUHKWCZFCHMR-ZHACJKMWSA-N	402.523	5.333	30	20	HKED	
Cc1sc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c(C#N)c1C	105570367	QPIRQYXLZNDMGY-UHFFFAOYSA-N	418.547	5.429	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)o2)c(C)c1	147926521	UREQMCDUKISYRR-QGZVFWFLSA-N	414.383	5.379	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1CCOc2ccccc21	303642478	BPJLRGZSZUITGU-OAHLLOKOSA-N	418.306	5.059	30	20	HKED	
CN(C(=O)[C@@H]1CCCC(F)(F)C1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	409955222	BUWXYMKAGSUTCB-DGCLKSJQSA-N	403.313	5.593	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1	427525373	QRVYEYVUGCOJLD-JOCHJYFZSA-N	407.439	5.806	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1	429075784	KYXXSXLFXDRROR-FXAWDEMLSA-N	404.539	5.524	30	20	HKED	
N#CCSc1cccc(C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)c1	430612772	TYXBZIHUQCTVTO-UHFFFAOYSA-N	410.445	5.303	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	438063605	IBPQJFNLJBTYPU-CBQOVEMMSA-N	407.583	6.047	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)n1	438115807	IAFGRQVMTGEVQX-RTWAWAEBSA-N	402.523	5.422	30	20	HKED	
CN(CCCOc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438665100	KYGIZMFFENMVNV-UHFFFAOYSA-N	419.456	5.422	30	20	HKED	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	439121670	ZIGGJVZZWGCAAS-LEWJYISDSA-N	402.519	5.444	30	20	HKED	
COCc1nc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(-c2ccccc2)s1	441045232	LCPTUKRYMCZGRM-UHFFFAOYSA-N	417.412	5.099	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@]2(CCCOC2)C1)c1ccc(C(F)(F)F)cc1	441539629	ZEKLQIWOBXZREW-CTNGQTDRSA-N	410.480	5.315	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)NCC1CCC(C#N)CC1	441618563	GRDKAUYNTLWOPA-UHFFFAOYSA-N	409.555	5.439	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1	441792047	RXHHBTOHPOVQMT-UHFFFAOYSA-N	405.123	5.207	30	20	HKED	
C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1cccc(C#N)c1	442911033	YEJUAZJDHSAZBH-CQSZACIVSA-N	410.930	5.570	30	20	HKED	
CC(C)n1c([C@@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)nc2ccccc21	444255955	GOQAZWKIQUAWIL-GOSISDBHSA-N	413.525	5.367	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)cc1	445678268	KCYCJARGSFTSKK-UHFFFAOYSA-N	409.486	5.422	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3ccc(F)cc3C#N)C2)n1	447392279	BCGAQXHUYRHMMW-KRWDZBQOSA-N	407.514	5.209	30	20	HKED	
CC[C@H](Nc1cccc(NC(=O)COc2ccccc2OC)c1)c1ccc(C#N)cc1	447572737	DKQBCPOWLWCTCT-QFIPXVFZSA-N	415.493	5.148	30	20	HKED	
C[C@H](C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1cccc(C#N)c1	461918857	HPDMKYGWNXYQIR-HNNXBMFYSA-N	403.869	5.206	30	20	HKED	
C=CCOc1ccc(-c2nnc(SC[C@H](C)C(=O)c3ccc(F)c(F)c3)o2)cc1	462398065	PUUBOAQAESKVHH-ZDUSSCGKSA-N	416.449	5.191	30	20	HKED	
CC(C)(CCC#N)CNC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1	462683606	ZOLJEGYZHQHDOA-FQEVSTJZSA-N	402.007	5.420	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC	466370966	TXSFYPAFNGRUIJ-OAQYLSRUSA-N	402.922	5.054	30	20	HKED	
N#Cc1cccc(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	467028315	HWXKHBDCXXULGK-UHFFFAOYSA-N	402.401	5.022	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(Oc3ccccn3)cc2)c1	467419648	OTFFYPBVCAWIOQ-FQEVSTJZSA-N	414.509	5.238	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1nc(-c2ccccc2F)cs1	468193354	TYOFTFOSTCQNSO-UHFFFAOYSA-N	413.477	5.418	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CCC[C@@]12CCCCO2	468646737	YMDVVHIMKMJJOB-CTNGQTDRSA-N	418.415	5.033	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccncc2)cc1	469239829	PSLIPLXKAPIEDU-LJQANCHMSA-N	410.521	5.505	30	20	HKED	
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	472831423	GMLPMUKFBGMXPE-GOSISDBHSA-N	423.476	5.112	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	474902299	YDGZEEXINSBFNB-OFNKIYASSA-N	413.908	6.022	30	20	HKED	
CC(C)(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(Cl)cc1F	475932540	ONFFSOAEERLPGW-UHFFFAOYSA-N	405.741	5.100	30	20	HKED	
C=CCCC1(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1	476751147	WLSMVGHNJHBXST-MRXNPFEDSA-N	421.381	5.371	30	20	HKED	
COCCNc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	480813343	URMJJEKHVLZAGX-UHFFFAOYSA-N	421.884	5.315	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2nc3cc(F)c(Br)cc3s2)c1	481284686	VLDSXQATAYOUGJ-UHFFFAOYSA-N	422.304	5.066	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1nc2ccccc2o1	481946420	XDTVHYNPKJXVGF-GJZGRUSLSA-N	411.552	5.655	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)ccc1NC(=O)c1cccs1	483201306	QFTSIUHQFPNSRT-LJQANCHMSA-N	411.486	5.347	30	20	HKED	
Cc1nc(NC(=O)c2cccc(SCC#N)c2)sc1Cc1c(F)cccc1F	487586382	RIRMPEHLUWVACR-UHFFFAOYSA-N	415.490	5.189	30	20	HKED	
C=CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccccn1	488918754	NSRBCSJHNGFOFN-UHFFFAOYSA-N	409.518	5.357	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1ccccn1	497896261	DXVIVBKLRAZZHR-GAJHUEQPSA-N	419.912	5.012	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1	498518850	XSOFCEXLBLPYSI-UHFFFAOYSA-N	419.569	5.129	30	20	HKED	
CCC[C@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N	499058712	XOLCGVIAABOKPU-HNAYVOBHSA-N	413.509	5.074	30	20	HKED	
O=C(CCOCC(F)(F)C(F)F)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	500106026	OAZSLXURZPKCMQ-CQSZACIVSA-N	415.349	5.066	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(C(C)C)cc2)cc1C	500921907	IGFJWZHIEGWYMS-UHFFFAOYSA-N	400.526	5.134	30	20	HKED	
C[C@H](c1ccccc1Br)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C	502877660	RNUVHMBYHVVNJC-CYBMUJFWSA-N	403.324	5.102	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCC(F)(F)C1	503070488	HCURRMSNFIKVOP-IBGZPJMESA-N	413.468	5.393	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1CCC(F)(F)CC1	503076818	UOJNWMXNAMREPL-UHFFFAOYSA-N	413.468	5.393	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccncc1)Cc1cccnc1	503215484	HSJDDNQQCZYWEE-SFHVURJKSA-N	417.538	5.105	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1Cl	504340423	BCLBMLMKXRDQJL-QGZVFWFLSA-N	419.893	5.964	30	20	HKED	
CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(COc2ccccc2C#N)o1	505921961	XKYCUAORNCIQCY-FQEVSTJZSA-N	404.466	5.010	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)NCCCCC#N	509244234	BCWTXUZYDYGORP-UHFFFAOYSA-N	418.419	5.082	30	20	HKED	
C=CCN(C(=O)c1cccc2ncccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514897944	HJSKDGGHPZTUKN-UHFFFAOYSA-N	416.462	5.099	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1	518239444	DCFNRBWSIDQTJH-INIZCTEOSA-N	421.591	5.948	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1	518666755	ITPQXXUQUMCROM-GUDVDZBRSA-N	417.578	5.769	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1cccc(Cl)c1	520821835	XWPAPHOWTRHQTK-GJZGRUSLSA-N	404.988	6.167	30	20	HKED	
CC(C)(C)CN(CCCO)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	521657188	VOGONGHUCLOBIQ-HXUWFJFHSA-N	413.949	5.258	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1ccc2c(c1)CCCC2	521813531	XWSJCUBLYKHNBA-MSOLQXFVSA-N	407.583	5.249	30	20	HKED	
C=CC[C@H](C)NC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1	523967349	LDNKRUWOYCUHPI-INIZCTEOSA-N	407.539	5.186	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1	524305256	CLLCSMRGHGKZNV-UHFFFAOYSA-N	422.312	5.051	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	524622836	NFDKGQVIOOSXEE-WOJBJXKFSA-N	422.598	5.209	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1	524822971	VOFDEAFUIFWRRT-LSDHHAIUSA-N	410.798	5.045	30	20	HKED	
Cc1nc(NC(=O)c2c(F)cc(C#N)cc2F)sc1Cc1cccc(Cl)c1	531266565	CXBCIPFIFSYUMP-UHFFFAOYSA-N	403.841	5.098	30	20	HKED	
C=CCC[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1	533398709	IVVYELLUWPXRFU-FQEVSTJZSA-N	417.475	5.141	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)sc1Br	534679348	SYOIWBNQKUOQBV-JTQLQIEISA-N	411.346	5.166	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	539745462	JIRQBSOOILXGPL-VQTJNVASSA-N	401.432	5.055	30	20	HKED	
Cn1cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(-c2ccccc2)n1	541095906	ZWUHTPASSJRNFK-UHFFFAOYSA-N	423.476	5.073	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)Cc1cccc(C#N)c1	544056694	CJHHRPVVMXHGAN-UHFFFAOYSA-N	401.466	5.464	30	20	HKED	
C[C@H]1c2ccccc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	547504874	MIGZXJXVGGKEIP-IBGZPJMESA-N	411.505	5.483	30	20	HKED	
COc1cccc(C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	548406864	XIUKSZCDBMGYSZ-QGZVFWFLSA-N	409.555	5.501	30	20	HKED	
Cc1c(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)sc2ccc(C#N)cc12	559862155	AMCDVPQFFOXZNA-KRWDZBQOSA-N	403.551	5.037	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCc3cc(Cl)cc(Cl)c3)CC2)c(F)c1	560762792	FSOMKGOEGLIXIC-UHFFFAOYSA-N	421.299	5.007	30	20	HKED	
C=C(C)Cn1c(-c2ccc(C)s2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1	568734734	VOAGTNFFHAWZLO-OAHLLOKOSA-N	417.604	5.082	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC3(CCCC3)CC2)cc1	576075648	ZJCGWEBELCSXDZ-UHFFFAOYSA-N	403.526	5.520	30	20	HKED	
N#Cc1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1Br	589011323	QQYUCYICYLBMEV-UHFFFAOYSA-N	420.188	5.140	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cccn2)cc1	603532985	JXPZMMSXJJBISW-UHFFFAOYSA-N	424.479	5.098	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCc2ccccc21	603956794	DCUMGYLWKPMHNS-QFIPXVFZSA-N	400.478	5.270	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc2cc(F)ccc2s1	604005599	PQRGCKZOLPFGMG-IBGZPJMESA-N	420.440	5.644	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2Cc3ccccc32)cc1Cl	604084995	RIAYJDPPRKNIDG-XMSQKQJNSA-N	401.897	5.457	30	20	HKED	
Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)C4(C#N)CCCCC4)cc3s2)s1	608817774	CGTFZODYJXBCRG-UHFFFAOYSA-N	424.551	5.331	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)o2)cc1	609059122	JUKTWRYUCZEKOO-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1cc(C#N)ccc1OC(F)F	609080936	QBVUZUDLHRJFHV-UHFFFAOYSA-N	400.212	5.130	30	20	HKED	
CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609147624	WNQKJAIQNFFAIU-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
CCCN(C(=O)CCCc1nc(-c2cccs2)no1)c1cc(Cl)ccc1C#N	609285715	DHGVILGOBKDOLQ-UHFFFAOYSA-N	414.918	5.089	30	20	HKED	
CCc1nc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2nc1CC	609378140	XKTQUFZFMJTMDL-HNNXBMFYSA-N	404.539	5.259	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)c1	609427439	ULCUFXUWLHSERQ-UHFFFAOYSA-N	411.505	5.201	30	20	HKED	
Cc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)oc2c(Cl)cccc12	609508783	WARZKFKFFXSULF-UHFFFAOYSA-N	408.885	5.386	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2ccccc2C#N)c1	609909417	HGMYEODJLQLZDJ-MBSDFSHPSA-N	414.480	5.295	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)c2)c1	610171290	GNSBQVUAZMQZPB-UNMCSNQZSA-N	404.416	5.158	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610321044	DVGHMLIRTIAAIQ-KSFYIVLOSA-N	416.456	5.500	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@@H](C)c3cccc(C#N)c3)cc(-c3cccs3)nc21	610361404	CQZCUAVHQKIHLI-HNNXBMFYSA-N	415.522	5.103	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C[C@@H]4CCOC4)C3)cc2)c1	611357879	AQQZGWOZTURBGR-PMACEKPBSA-N	405.498	5.021	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)C1	612301633	GCAYMUQGEXTZLO-HXUWFJFHSA-N	403.404	5.655	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	619427822	YJTYBXUGXUKDLW-KBPBESRZSA-N	406.370	5.127	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CC(CC(F)(F)F)C1	675369408	VHWOHVVTSKHZFG-UHFFFAOYSA-N	422.341	5.479	30	20	HKED	
Fc1ccc2nc(CN[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)sc2c1	683200450	IGCSFHCIPBSOTC-JZYVYDRUSA-N	400.363	5.435	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccc(C)cc2)c1	726572565	BOMYSXAVPRROCU-UHFFFAOYSA-O	411.550	5.076	30	20	HKED	
Cc1ccccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728052424	GVPTZZFPHBEFPQ-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
C#Cc1ccc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)nc1	728817515	MEGMGMGEUUBMOJ-UHFFFAOYSA-N	410.395	5.147	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(CC2CC2)C(=O)N[C@H]1c1ccc2ncccc2c1	730453349	ZOATYFLMSBNKBY-DEOSSOPVSA-N	411.505	5.020	30	20	HKED	
Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)c1	730459987	REQBKSUEMSECLS-OAQYLSRUSA-N	421.566	5.125	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(F)cc3Cl)n2)cc1	733680311	ZPNRRYNEVQDQRT-BBRMVZONSA-N	414.889	5.555	30	20	HKED	
O=C1/C(=C/c2nccs2)CCc2nc(-c3ccc(Br)cc3)sc21	735232925	XBIBXTVWJPQERL-PKNBQFBNSA-N	403.326	5.242	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1	740533979	AYEAFXJNWCAADW-SFHVURJKSA-N	405.479	5.181	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2csc(N(C(C)=O)C3CC3)n2)cc1	741468143	CUYSBIAFMDTLKI-KAMYIIQDSA-N	418.518	5.230	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(C2CCCC2)nc1C	744029941	XTWSWRAHYOWGPU-SFHVURJKSA-N	409.555	5.195	30	20	HKED	
C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	744036434	YSTCXADBJNNAOJ-XHDPSFHLSA-N	400.862	5.174	30	20	HKED	
Cc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc(C)c1OCc1ccccn1	746345241	BJBLXSDKFSQOFM-KHPPLWFESA-N	403.526	5.568	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	747198511	HZDFJYMGBDNJJX-OAHLLOKOSA-N	416.909	5.102	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1	748009320	FXAOHWIWJCAADO-KRWDZBQOSA-N	421.909	5.371	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)O[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	748416664	RUTXUJNRNATNKN-LLVKDONJSA-N	402.237	5.142	30	20	HKED	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	752231419	YIRRSRPPARTDTP-MGPUTAFESA-N	407.495	5.046	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2sc(-c3ccccc3)nc2C)c1	752919999	RMCJGOMEXHWLLB-SFHVURJKSA-N	406.511	5.121	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)/C=C/c2ccccc2C#N)n1	753273805	SOUGRLZHQOJMAJ-JXMROGBWSA-N	406.873	5.112	30	20	HKED	
C=C(C)[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)OCC	756515254	LHMONZLKSYBAOH-RDTXWAMCSA-N	409.338	5.664	30	20	HKED	
C=C[C@@H](CC(=O)OCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1	759406811	VNNXZQHZEOZNCF-INIZCTEOSA-N	416.502	5.467	30	20	HKED	
C[C@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@H](c2ccsc2)O1	759754165	FGEYPPPPMPNAKT-MGPUTAFESA-N	423.563	5.020	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccc3[nH]ccc3c2)cc1	765651946	JBWZQEBLGNVQRU-WQLSENKSSA-N	407.473	5.465	30	20	HKED	
Cn1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(-c2ccccc2)n1	782552355	DVMPEKDEUSINKT-DEOSSOPVSA-N	421.504	5.064	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2csc(Cl)c2)cs1)c1ccc(F)cc1F	787185562	DKFARZUDRMFEOP-HYXAFXHYSA-N	424.881	5.717	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	789144528	VMRMFZSQTSBGBR-WAVCKPEOSA-N	413.470	5.386	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C	791818747	HXHSJMRVPBXAQH-UHFFFAOYSA-N	423.557	5.664	30	20	HKED	
C=CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	792875740	JKOYKKMHOFBDEO-QGZVFWFLSA-N	409.364	5.319	30	20	HKED	
N#CC[C@@H](CC(=O)OCc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	795989587	KBTPIGYKTTVDCS-KRWDZBQOSA-N	414.383	5.491	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CC1	809088416	NCSDWEVXCDWQGB-OKILXGFUSA-N	408.445	5.245	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1	810263590	QLCYHOXQRFSHEU-XZOQPEGZSA-N	405.542	5.181	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4nc(C#N)cs4)nc(O)c23)cc1	811686703	GRPLAQKGHFNFOF-MKMNVTDBSA-N	410.911	5.437	30	20	HKED	
N#CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	814275538	ZIXFCYWAZCCLQH-WJDWOHSUSA-N	420.437	5.014	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3nc(Cl)ccc3Cl)c2C#N)C1	875474130	OCTBQAQCWNYFMB-SNVBAGLBSA-N	408.354	5.725	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(O)Cc1ccc(F)cc1	901375783	NCPZGGULYMJXJR-UHFFFAOYSA-N	418.877	5.133	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915087301	RZCLXOOPKCETRX-IZZNHLLZSA-N	421.500	5.245	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1	915088416	QEMCYQLINNOCGI-DQEYMECFSA-N	412.489	5.152	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CC2(Cl)Cl)cc1Cl	915907679	CBPVWJGSCRIYRW-XJKSGUPXSA-N	408.716	5.311	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(s1)CCCCC2	916883194	HIOSGCZDVQJFHK-OAHLLOKOSA-N	420.506	5.293	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2cccs2)cc1F)CCCC3	917531692	BCBONYYTDNKVJP-UHFFFAOYSA-N	409.511	5.087	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)CCO3)cs1	917559864	DAAVFNAKSZXEAA-VMPITWQZSA-N	424.909	5.312	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	917751313	ZUXJOPTUWZRWNS-UKRRQHHQSA-N	421.349	5.250	30	20	HKED	
CC(C)c1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920143783	ZZTPPXJZKYVTJR-HXUWFJFHSA-N	401.491	5.060	30	20	HKED	
CC(C)(C)c1ncc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)s1	920368784	QFWQYBRZRDYMBG-UHFFFAOYSA-N	412.371	5.177	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)c1cccc(Cl)c1	921005430	DHXGIHSRGPNZSJ-NXEZZACHSA-N	423.731	5.458	30	20	HKED	
C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1OC	7884273	PSPGYZZBZRQCDI-DEOSSOPVSA-N	400.478	5.027	30	20	HKED	
C=C(C)CNC(=S)Nc1ccc(Cc2ccc(NC(=S)NCC(=C)C)cc2)cc1	16213124	QKRZELVUZCBHFS-UHFFFAOYSA-N	424.639	5.002	30	20	HKED	
COc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OCc1ccccc1	16962023	MDFMTRABQIJZIB-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
CCN(CC)CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	29290725	URRHSDBJMAULLD-UHFFFAOYSA-N	413.521	5.198	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	45928583	GBDDMTLRZLLJDK-SFHVURJKSA-N	415.493	5.067	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)on1	56800425	CIOALJDJOGXRBI-OAQYLSRUSA-N	402.454	5.324	30	20	HKED	
COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@@H](C)C#N)c1	195534690	SQUQMYYYHGZCAN-IXGURIBZSA-N	405.523	5.208	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)o1	303364377	ICSSGANMNGQBQG-GJYPPUQNSA-N	409.555	5.851	30	20	HKED	
Cc1nc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)sc1SCC#N	409504460	YNGQWXBOOAKHKO-OAHLLOKOSA-N	409.536	5.460	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1cccc(COc2ccccc2)c1)c1ccccc1	431825354	SDWFNKWOGCQIHX-RUZDIDTESA-N	413.521	5.500	30	20	HKED	
Cc1noc(C)c1-c1ccc(OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	432313673	LFDIJYUGPUODET-OAHLLOKOSA-N	421.522	5.370	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1Cl	437726830	LCWVVXBLULVXOL-QAPCUYQASA-N	407.823	5.662	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	438636739	ZOTPRGNUTXGPPO-UHFFFAOYSA-N	423.900	5.756	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)n1	442597606	JSARNWYZSHHNAF-AWEZNQCLSA-N	403.290	6.041	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)NCC2CCC(C#N)CC2)nc1-c1ccccc1	442742186	XBNVYBUKLHGLCW-GZNCHQMQSA-N	420.557	5.641	30	20	HKED	
COc1ccc(-n2c(S[C@H](C)c3cccc(C#N)c3)nnc2-c2ccncc2)cc1	442916102	VGKGZIRJTOZRGO-MRXNPFEDSA-N	413.506	5.063	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	443816950	NRTAANZGBHGBLB-UHFFFAOYSA-N	413.518	5.265	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C2CC2)[C@H](C)c2ccco2)cc1	444386727	DZOHVTLUADHBMQ-MRXNPFEDSA-N	417.465	5.710	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cnn(C)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1	445043022	VERIZZGWHFPHOE-CYBMUJFWSA-N	420.357	5.287	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)o2)c1	445991699	MQROYHWOKPOOQL-OALUTQOASA-N	412.415	5.053	30	20	HKED	
C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	446123340	RZVYIBDJHNVNAF-IBGZPJMESA-N	405.542	5.764	30	20	HKED	
CC[C@H](NCC1(c2cccc(Br)c2)CCOCC1)c1ccc(C#N)cc1	447563503	QGKZFHUWSNSYIU-NRFANRHFSA-N	413.359	5.110	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H]1c1ccsc1	460806497	XBSXWUHVLJRKTL-IBGZPJMESA-N	424.570	5.235	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1SCCc2ccccc21	463103607	FCBVVJAKSLYLMS-OAQYLSRUSA-N	401.491	5.023	30	20	HKED	
Cc1cc(Br)c(NC(=O)CSCc2ccc(C#N)cc2)cc1Cl	463366074	GVIHZZVRHOQKNJ-UHFFFAOYSA-N	409.736	5.155	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	463967969	XAETYSVHDUEWPK-WMZOPIPTSA-N	409.555	5.189	30	20	HKED	
CCc1c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cnn1-c1ccccc1	468186405	MQYHAQMZLIWJDI-UHFFFAOYSA-N	422.488	5.138	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1F	468648086	NKDJFLKICOELDL-ISKFKSNPSA-N	410.464	5.008	30	20	HKED	
Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1OC1CCOCC1	469447401	BPEHHUYHRMNIEV-UHFFFAOYSA-N	417.509	5.064	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NCc1nnc(-c2ccc(C#N)cc2)o1	471646462	VGPGNLLEFOIPIF-UHFFFAOYSA-N	400.869	5.849	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1	471663466	IQTVIVKQJKSGEQ-UHFFFAOYSA-N	405.542	5.103	30	20	HKED	
C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1	472117503	JHYJDHSMVBZMAG-AVYPCKFXSA-N	401.432	5.269	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	475572952	QPCZVSHQCDDPMN-URXFXBBRSA-N	419.613	6.055	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	476119456	IIWPZLHFSKRBFX-UHFFFAOYSA-N	404.919	5.831	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1	476144103	KZLGMLUWZQTZIA-UHFFFAOYSA-N	404.432	5.768	30	20	HKED	
C=C(C)CN(CC)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	481200172	PJCWENKKQWYJFT-UKHBAXEESA-N	411.430	5.533	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	481247575	XBJNVRBVZDQSBD-XJKSGUPXSA-N	421.394	5.684	30	20	HKED	
CC(C)(C)[C@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	482934608	VRZTVFISDAWDRJ-NFBKMPQASA-N	421.541	5.047	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc(C4CC4)cs3)cc2Cl)cc1	482989928	VOFPXAXFDLANEU-UHFFFAOYSA-N	424.913	5.660	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2)cc1	483223420	DCCYOWFQFUGBAO-DEOSSOPVSA-N	403.441	5.176	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)sc2nc(C(F)(F)F)ccc12	483243140	XZKOTKIIAQOLOI-HNNXBMFYSA-N	411.408	5.662	30	20	HKED	
Cc1onc(-c2ccncc2)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	483447162	JAFRXWFEIWNISR-INIZCTEOSA-N	420.881	5.312	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C	485731961	JBVUPHJHJOOABK-UHFFFAOYSA-N	408.567	5.588	30	20	HKED	
C=CC[C@@H](C(=O)NCc1ccc(Oc2ccccc2OCC)nc1)c1ccccc1	488626271	VIEGXNREVWMEHM-OAQYLSRUSA-N	402.494	5.249	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3ncc(-c4ccccc4)o3)o2)cc1	489809252	VGNBHLGSNRGTJW-OAHLLOKOSA-N	405.479	5.810	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1ccc(C(F)(F)F)cn1	489894718	ZIKLABXJJIZBPW-CYBMUJFWSA-N	411.305	5.107	30	20	HKED	
N#Cc1cc(NC(=O)Cc2coc(-c3cccs3)n2)ccc1Oc1ccccc1	490481072	RODHPWIQQCODDH-UHFFFAOYSA-N	401.447	5.248	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1CCC[C@H](C(F)(F)F)C1	500247094	VCWKCADHAWIHII-QWRGUYRKSA-N	401.322	5.464	30	20	HKED	
CCCCOc1ccc(-c2nnc(CN3CC=C(c4ccc(C#N)cc4)CC3)o2)cc1	502520945	DZZLRXHBWOSBLC-UHFFFAOYSA-N	414.509	5.076	30	20	HKED	
Cc1cc(NC(=O)c2oc3ccccc3c2CSc2cccs2)nn1CCC#N	504241961	UUXZGZFGANFCBF-UHFFFAOYSA-N	422.535	5.458	30	20	HKED	
CC1(C#N)CCN(C(=O)c2oc3ccccc3c2CSCc2ccccc2)CC1	507840941	MMOCLWNCYZOQJY-UHFFFAOYSA-N	404.535	5.632	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	508188766	AKCZDMUAQPPDFQ-ZHRRBRCNSA-N	419.912	5.454	30	20	HKED	
CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1	510630060	NMHKBFBNLHLAQU-UHFFFAOYSA-N	416.428	5.019	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C)(c2ccccc2)CC1	510765580	RSQCTEUOVKFVSV-LJQANCHMSA-N	407.583	5.073	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	516837678	BEHQREPFSCSORI-GOSISDBHSA-N	415.493	5.415	30	20	HKED	
CC(C)(CCC#N)CNC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12	517165363	JYENJABECFDWGN-UHFFFAOYSA-N	421.972	5.722	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCC1	517532797	MDPWWDBGSCQUBT-VGOFRKELSA-N	421.566	5.067	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)c(C)c2c1	517533186	UWQMQYXCQPEOQT-ZBFHGGJFSA-N	423.538	6.027	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc4c3CC[C@H](C)C4)n2)cc1	517800796	JNJJSSGXDYTCRW-SUMWQHHRSA-N	408.548	5.495	30	20	HKED	
C=CCN(C(=O)c1ccc(CCC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	518530411	GMXZUGQHKGJVLX-UHFFFAOYSA-N	407.495	5.504	30	20	HKED	
COc1cc(CSc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C#N)c1	523970428	HFWCCWMPVZPHRW-UHFFFAOYSA-N	406.463	5.346	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1ccc(OC)cc1	524258448	PEKIRAWCKKTNAP-UHFFFAOYSA-N	424.551	5.457	30	20	HKED	
Cc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nn1CCC#N	526090697	ZIVMLZBTJWDGJT-UHFFFAOYSA-N	420.860	5.067	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3cccc(Cl)c3)C3CCCCC3)o2)c1	531859223	LUAPOYQJXFUPDX-QFIPXVFZSA-N	406.917	5.673	30	20	HKED	
C=CCN(C(=O)C1CCC(F)(F)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	533971244	MUGHOXLBJQTZRQ-UHFFFAOYSA-N	407.442	5.063	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1F	539288395	HPBKNXDRQXCUDL-KBXCAEBGSA-N	403.498	5.038	30	20	HKED	
CC[C@H](C)Oc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1	539679073	OPWNMKKQKNJQNJ-GXTWGEPZSA-N	413.449	5.151	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	540377322	MCPPPTLUMLMKMJ-MRXNPFEDSA-N	408.552	5.508	30	20	HKED	
C=CCC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	540428882	BHJRYMQQHUYOHW-KRWDZBQOSA-N	421.419	5.158	30	20	HKED	
CSc1cccc([C@@H](NC(=O)N2CCC(CC#N)CC2)c2ccc(F)c(F)c2)c1	543826295	XRJBUGOTPCJJEB-OAQYLSRUSA-N	415.509	5.111	30	20	HKED	
C[C@H](NC(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(-c2cccc(C#N)c2)cc1	543917290	BBVTVARTVJWBEF-KRWDZBQOSA-N	424.479	5.256	30	20	HKED	
Cc1nc(NC(=O)c2c3c(nc4ccccc24)CCCCC3)sc1SCC#N	548950126	FDXICPLUYJCCDA-UHFFFAOYSA-N	408.552	5.137	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cn2)cc1C	559071181	QQABQTPQODQUMN-UHFFFAOYSA-N	412.371	5.029	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(c3nccc(C#N)c3Cl)C2)n1	561326332	UHZBSRZPQCCPBU-HNNXBMFYSA-N	410.930	5.123	30	20	HKED	
CC(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(C)(C#N)CC1	563825027	MIOHLQOIZZXXQW-LJQANCHMSA-N	417.557	5.357	30	20	HKED	
CCOc1ccc(-n2c(COc3ccccc3)nnc2S[C@@H](C)CCC#N)cc1	565109212	CPHNUCBDPSYRMU-KRWDZBQOSA-N	408.527	5.029	30	20	HKED	
Cc1cc(-c2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)ccc1N1CCC[C@H](C)C1	570972709	ZFIOTDSSFNAJEI-JTSKRJEESA-N	411.509	5.003	30	20	HKED	
Cc1cc(-c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)ccc1N1CCC[C@@H](C)C1	570972710	ZFIOTDSSFNAJEI-VGOFRKELSA-N	411.509	5.003	30	20	HKED	
C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(Cl)cc1	580801847	AIPUMHMMCXALED-IBGZPJMESA-N	424.932	5.047	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1Br)c1ccc(Oc2cccnc2)cc1	588971979	VCNMIRRNDHCEOM-OAHLLOKOSA-N	408.299	5.359	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1	590334241	FJWYPXXMPZZDIF-UHFFFAOYSA-N	417.484	5.227	30	20	HKED	
CC(C)(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc12	590388823	WWBLSMBJQQHCPP-MRXNPFEDSA-N	402.479	5.134	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl	591533036	ACDFDJBHLLZHMH-UHFFFAOYSA-N	417.912	5.180	30	20	HKED	
Cc1sc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(C#N)c1C	603445752	XYIJNSVEYQTKKC-UHFFFAOYSA-N	406.467	5.009	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c2c(nc3ccccc13)CCC2	603738783	NRPCOBXCWILHIR-UHFFFAOYSA-N	420.472	5.343	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1ccc2ccccc2n1	607274572	KQCQGLZEMCGULZ-JOCHJYFZSA-N	417.443	6.079	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1sc(-c2ccccc2)cc1C#N	608871339	XLXBGMWWKNRGHN-UHFFFAOYSA-N	405.504	5.493	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSC[C@@H]3CCCCO3)c2C#N)C1	608932232	GRECDPYBJFJBOR-CABCVRRESA-N	406.617	5.012	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1	609061378	BGANTOSQYCAFMZ-QGZVFWFLSA-N	420.896	5.505	30	20	HKED	
N#Cc1ccc(SCc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc1	609475486	MSKCPQNEFKCCOU-UHFFFAOYSA-N	404.426	5.227	30	20	HKED	
C[C@@H](NC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cccc(C#N)c1	610400545	SLYZCGKKXIYTJN-SEIJQPCPSA-N	407.517	5.216	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc(F)ccc3N3CCCCC3)CC2)cc1	611245713	DJUBZEDUOHEZSK-UHFFFAOYSA-N	404.489	5.009	30	20	HKED	
Cc1ccccc1[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(C)CC1	611393410	JMRKEKNLQHGBQK-KGGRFHARSA-N	400.526	5.574	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c(Br)c1	611491385	DGZLDNVSVDROJV-UHFFFAOYSA-N	411.284	5.144	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	613319438	DURQOEDDFLOQQQ-KRWDZBQOSA-N	418.909	5.652	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1cccc(C#N)c1	613450229	ZKPABOBXJFDJJO-BFUOFWGJSA-N	416.294	5.068	30	20	HKED	
CCOc1c(Cl)cc(-c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)cc1OC	615131354	NCFMIVRMFXCIQJ-SFHVURJKSA-N	424.888	5.010	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)c2C2CC2)cc1Cl	618789726	OGMWIPBUJTXGHI-QFIPXVFZSA-N	416.912	5.001	30	20	HKED	
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1c(Cl)cc(C#N)cc1Cl	619619589	KBKPHQUIOFXRRB-UHFFFAOYSA-N	405.672	5.265	30	20	HKED	
CC(F)(F)CCC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F	624110515	BYIFYUNHZUMQCY-UHFFFAOYSA-N	423.328	5.828	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	641897418	YQBVQNLDPJUQLW-UHFFFAOYSA-N	402.441	5.591	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	681000716	UNQSQGPPVQWJJP-NFBKMPQASA-N	411.590	5.304	30	20	HKED	
C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(-c2cccnc2)ccc1C	684500978	SBYFPONQTJOVSE-UHFFFAOYSA-N	410.477	5.060	30	20	HKED	
O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccc(OC(F)F)cc1OC(F)F	728157457	WOKYSLIPSVRYRF-DJWKRKHSSA-N	414.742	5.087	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(SC(F)(F)F)cc2)c2ncc[nH]2)c1	729240147	CILXAGGLRHYAHX-BOPFTXTBSA-N	404.413	5.454	30	20	HKED	
N#CCOc1cccc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)c1	730150387	TXCNVQIUOWDPEH-VBKFSLOCSA-N	406.894	5.578	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc1-c1ccccc1	730171388	UZEOIUWRKOXIID-XMMPIXPASA-N	421.500	5.877	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1	730990064	RJGWLXIAMAGPTL-YZYPPFLQSA-N	422.550	6.318	30	20	HKED	
C=CC[C@H](NC(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F)c1ccncc1	734666380	DCTPXPWPQKHOEG-IBGZPJMESA-N	407.436	5.004	30	20	HKED	
COC(=O)[C@H](OC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(C#N)cc1	740212026	FOBVWLHKXVWLQL-MRXNPFEDSA-N	420.273	5.151	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@H](CC)Cc2ccc(C)cc2)c1	745821411	QKTWMCDPNRWQDB-PKTZIBPZSA-N	407.558	5.229	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)ns2)cc1	747203675	CVWXRZHVLAYUDT-BEFAXECRSA-N	403.507	5.285	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(C2CC2)n(-c2ccccc2)c1=S	751929930	BHXWGWHOJLBLPH-VXKWHMMOSA-N	415.566	5.010	30	20	HKED	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1	752278740	UVXHAZGASPYHRY-KXBFYZLASA-N	408.548	5.013	30	20	HKED	
CCN(CC)[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1	755634358	HZOFANPCKCATHB-IFMALSPDSA-N	419.550	5.078	30	20	HKED	
C=C[C@H](CC(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1	760138674	GLEIMFOJVBWAQV-MRXNPFEDSA-N	406.913	5.028	30	20	HKED	
CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(CNC(=O)OC(C)(C)C)nc1C	760246543	LHFSIUBLTLEAPY-UHFFFAOYSA-N	422.451	5.270	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12	760792813	SHYBMGQHFLWVRX-UHFFFAOYSA-N	403.438	5.257	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1Cl	762437079	BLDZXXAGGBRRIN-TWGQIWQCSA-N	410.926	5.196	30	20	HKED	
COc1ccc2oc(/C=C\C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)cc2c1	763288947	DGFGNLOSZVBDFJ-WQLSENKSSA-N	410.491	5.054	30	20	HKED	
N#Cc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)c(Cl)c1	768895694	DKRMEFDWOMVTMN-UHFFFAOYSA-N	404.944	5.098	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(OC)ccc3nc2C)cc1	770105411	BLAXGVUBVUISRF-IVZQSRNASA-N	415.493	5.027	30	20	HKED	
C[C@H](CSCc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	772972708	VYXPLUHGFIVUIH-CZUORRHYSA-N	421.349	5.210	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1	774046874	ODZZLEZXJYJZNR-UHFFFAOYSA-N	421.394	5.158	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)c1	775410867	UDUUDNJFFIKJGA-HYBUGGRVSA-N	421.585	5.213	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C	776815502	MLZFNGGLFQQPPQ-UHFFFAOYSA-N	410.539	5.515	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1	780671306	UGBXWYXTXMBNGD-IVZQSRNASA-N	423.875	5.681	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC[C@@H](C#N)Cc1cccs1	782632748	DDKTVQKMGYPTTH-CYBMUJFWSA-N	420.412	5.270	30	20	HKED	
N#C[C@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1cccc2ccccc12	783352931	NBAGGBZHTQCXBD-JFUPDXTOSA-N	402.416	5.246	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1ccc(OCc2ccc(F)cc2)cc1	788029751	HHWKFKBASVDMJM-UHFFFAOYSA-N	419.485	5.154	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nccc2ccccc12	792093063	HJNCQLXJCWSQFJ-LJQANCHMSA-N	410.395	5.333	30	20	HKED	
Cc1nc(C(F)(F)F)c(COC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)s1	801898033	MEHCDXHSNFXYTK-LLVKDONJSA-N	401.303	5.243	30	20	HKED	
C[C@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(OCC#N)cc1	808705378	FTTMPCIOEOIGSR-LHSJRXKWSA-N	424.342	5.561	30	20	HKED	
C=C(C)CN(CC)C(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814772859	GWRPYWSMCLTUIL-RQZCQDPDSA-N	416.593	5.029	30	20	HKED	
Cc1ccc(C/N=C(/Nc2ccccc2)N[C@H](C)c2ccc([S@@](C)=O)cc2)cc1	848992269	FWYLWKZOFZMQAI-SONOPUAISA-N	405.567	5.051	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)cc1	863949968	DSHGYUISNHCPLH-XCVCLJGOSA-N	423.822	5.318	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1	915086089	GEXKESAVCFRMOW-XMMPIXPASA-N	418.500	5.269	30	20	HKED	
COc1cc(C=NNCc2cccc3cccnc23)ccc1OCc1cccs1	915960023	WFKGAUUTVZYRJL-UHFFFAOYSA-N	403.507	5.008	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2ccccc2)cc1	916341431	CHQSIMAXLSTJRW-UHFFFAOYSA-N	400.507	5.003	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1	917045037	WDKBPVANGORPAB-AWEZNQCLSA-N	407.347	5.713	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(-c2ccccc2)cc1	917812752	FTFFJXLOBWIKLY-UHFFFAOYSA-N	420.472	5.463	30	20	HKED	
O=C(Nc1ccccc1SC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	919652735	DCEOSAPYWONVAE-IUCAKERBSA-N	422.341	5.596	30	20	HKED	
CCCCOc1ccc(C=NOCc2csc(-c3cccs3)n2)cc1OC	920399298	PUBLWLBQNXEOKD-UHFFFAOYSA-N	402.541	5.610	30	20	HKED	
COc1ccc(OCc2ccccn2)c(C=NNCc2ccc(Cl)cc2Cl)c1	921257746	RNCJZAFUWIDCII-UHFFFAOYSA-N	416.308	5.100	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1	1788982603	ZMMAMUJAGOWODU-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1824145041	QZGAABJCFNBWHD-HSZRJFAPSA-N	414.634	5.201	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1	1830750704	JARVKQZQAMMWJW-YADARESESA-N	408.586	5.010	30	20	HKED	
C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1	1831860686	WTBIGSYPYBMUNS-HXUWFJFHSA-N	423.384	5.111	30	20	HKED	
Cc1c(Cl)cccc1-n1c(SCc2ccccc2C#N)nnc1-c1ccncc1	9968348	DBJWFNNWQHNVAZ-UHFFFAOYSA-N	417.925	5.455	30	20	HKED	
N#Cc1c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)sc2c1CCCC2	21145513	WYDMCIBSZIHRBK-UHFFFAOYSA-N	410.502	5.361	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(-c4cccs4)on3)c2)c1	32290579	LDQDIVRLAOADCR-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(-c2cccs2)no1	32785270	XOVHJJANXJOBCH-CQSZACIVSA-N	409.540	5.020	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1cccc(Cl)c1	49723821	DZPACZGACTYTIT-UHFFFAOYSA-N	407.857	5.115	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N(C)Cc1cccc(C#N)c1	63274206	OAQQRUIHFHGZOV-UHFFFAOYSA-N	419.456	5.471	30	20	HKED	
COc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	65651470	MJLSUIYJNQAALJ-OAHLLOKOSA-N	403.290	5.616	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c[nH]c2cc(F)ccc12	97542522	UJEPNVOJGJKFGJ-UHFFFAOYSA-N	413.452	5.247	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(Cl)ccc1Cl	109908155	VINKUFZJMHQVAG-UHFFFAOYSA-N	418.093	5.118	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)cc1OC	214931807	UFKVMCJVLDTXJK-YVMONPNESA-N	406.450	5.479	30	20	HKED	
N#Cc1cccc(CNC(=O)c2oc3ccccc3c2CSc2cccs2)c1	303045016	HVOKXPJJYZITMP-UHFFFAOYSA-N	404.516	5.588	30	20	HKED	
C[C@@H](CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1C(F)(F)F	303889843	OSQPRBFMKJDYBZ-JTQLQIEISA-N	421.303	5.542	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	429691923	YLDHYAYIXOYSKI-ZDUSSCGKSA-N	420.321	5.856	30	20	HKED	
N#CCCC[C@H](NCc1nnc(-c2ccccc2Br)o1)c1ccccc1	433019863	PUPOECBWWVKPMJ-SFHVURJKSA-N	411.303	5.024	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2cccc(Cl)c2)C1	433294647	AEYFIQYQNDSCCI-FUHWJXTLSA-N	413.974	5.020	30	20	HKED	
N#Cc1cc(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1F	437973905	VDMMCKQRRYPNND-UHFFFAOYSA-N	420.391	5.161	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCC2)n1	438064722	GKLAKWVSYVERNE-AWEZNQCLSA-N	400.573	5.294	30	20	HKED	
CC1CCC(N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	438076676	SMAGAKWNLSYFQG-NBDWZHNGSA-N	415.603	5.672	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	438452656	WIYWFBQFGMLITM-COPCDDAFSA-N	416.924	5.191	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1C	441279263	SUYDGYAGMXKVKC-NSHDSACASA-N	418.143	5.429	30	20	HKED	
N#Cc1cn(CCc2cc(Cl)ccc2Cl)c2ccc(Br)cc2c1=O	447297735	YNRUOMNCOUACEP-UHFFFAOYSA-N	422.109	5.185	30	20	HKED	
N#CCCN(C(=O)Cc1csc(-c2cccs2)n1)C12CC3CC(CC(C3)C1)C2	460466299	AEXURGCCGAQNQF-UHFFFAOYSA-N	411.596	5.125	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	462178832	DDAPBNLDMYSALE-UHFFFAOYSA-N	421.375	5.526	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1SCCc2ccccc21	463486310	YTYVAEDEOJCIBZ-XMMPIXPASA-N	414.530	5.415	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1Cl	464922007	PASRECGPRQMKFF-HXUWFJFHSA-N	400.869	5.053	30	20	HKED	
CCc1ccc([C@H](COC)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1	466062550	LHCFTOOKSJHZHL-QFIPXVFZSA-N	419.481	5.324	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1	467469510	XOBSZQLAUBPQBI-SFHVURJKSA-N	402.267	5.137	30	20	HKED	
C[C@H](N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1	467633362	CAGDKIOFTUOCBB-UONOGXRCSA-N	401.457	6.112	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cnn(-c2ccccc2)c1	468964815	MCQRISAPLUZIGG-KRWDZBQOSA-N	422.579	5.138	30	20	HKED	
Cc1csc(-c2cccc(NCC(=O)N(CCC#N)c3cccc(Cl)c3)c2)n1	470525601	JBKCHORJYHIEIL-UHFFFAOYSA-N	410.930	5.131	30	20	HKED	
N#CC[C@@H](CC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1	476344368	XVLRSHOHFJFVPH-WMZOPIPTSA-N	403.309	5.061	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1	477446332	KEYMVDCJMKFOHZ-ZWKOTPCHSA-N	411.546	5.879	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	477755134	NYWSNKGSJZXEBA-UKRRQHHQSA-N	419.419	5.508	30	20	HKED	
COc1ccc(-c2ccncc2)cc1CNC1CCC(Oc2ccccc2C#N)CC1	479386833	QUEMSGQTOXWAGO-UHFFFAOYSA-N	413.521	5.109	30	20	HKED	
C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	480117292	AJVAXBGMMAGRSO-UZLBHIALSA-N	404.901	5.615	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCCc4cccc(OC(F)F)c43)c2)cc1	483326057	VBDJRGPPCSZVOF-UHFFFAOYSA-N	420.415	5.545	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2cnco2)cc1	483368688	CFBISMGYZQKWJC-UHFFFAOYSA-N	411.436	5.508	30	20	HKED	
Cc1ccccc1COc1cccc(NCC(=O)Nc2cc(Cl)ccc2C#N)c1	484644355	OZFXADTZALYMOJ-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
N#Cc1cc(F)ccc1CSCc1nc(-c2cc(Br)cs2)no1	488541998	VCLBYVPMSAOQQC-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
C[C@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1c[nH]c2ccccc12	495095805	YOMBQAAOMFYXHI-OAHLLOKOSA-N	400.507	5.219	30	20	HKED	
C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1SCCC#N	498289253	AJSNFHCYGORBAB-CQSZACIVSA-N	403.345	5.272	30	20	HKED	
COc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	501336158	SYJJODQZLWKDMK-LBPRGKRZSA-N	421.703	5.211	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)n1	501578313	IHQDZEOCOXLKCZ-GOSISDBHSA-N	419.472	5.126	30	20	HKED	
C[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1	504741143	JLIITZBVVDGABO-MRXNPFEDSA-N	416.443	5.141	30	20	HKED	
COc1cc([C@@H](C)NC(=O)c2cc(C#N)ccc2Cl)ccc1OCc1ccccc1	507189998	XVINSIBQDMSUPT-MRXNPFEDSA-N	420.896	5.290	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1Cl	510003995	CCNDQARHFALUAK-QFIPXVFZSA-N	416.912	5.587	30	20	HKED	
C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511416092	RFDQBUVOLPJHBJ-NTKDMRAZSA-N	421.541	5.048	30	20	HKED	
Cc1nnc(SCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c(C#N)c1C	511885251	BRKCZFFUNRXKNS-UHFFFAOYSA-N	424.913	5.142	30	20	HKED	
C=C(C)CN(Cc1csc(Cc2ccc(Cl)cc2)n1)Cc1ccc(CO)o1	512203096	NISZFGUWKJVTIY-UHFFFAOYSA-N	402.947	5.051	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3cccc(OCc4cscn4)c3)c2C#N)C1	514705935	KDHSAFRDOPJALN-ZDUSSCGKSA-N	409.536	5.032	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(Nc2ccccc2)s1	514954960	SJSVIJNXHDTYIP-AWEZNQCLSA-N	416.597	5.039	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	515859146	IXOJSLAACUYSTR-UHFFFAOYSA-N	415.242	5.205	30	20	HKED	
Cc1ccc2c(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)coc2c1	517848069	IAARNZFXFHNGSB-DEOSSOPVSA-N	410.473	5.244	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)c2)cc1	517903294	GKLHFAFHPHCHKX-HSZRJFAPSA-N	417.465	5.157	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	519451059	PQHQLAGNMBHRKN-MRXNPFEDSA-N	410.499	5.067	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	519513503	HYLQKURSBXNADQ-HNNXBMFYSA-N	416.868	5.315	30	20	HKED	
Cc1cc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)n(CCC#N)n1	521010800	HAJRIVAINVXKEE-UHFFFAOYSA-N	410.930	5.303	30	20	HKED	
COCCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	521151931	QLBWRCRPYGQABB-HOTGVXAUSA-N	419.447	5.057	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2ccco2)nc1C)c1nc(-c2ccccc2)cs1	522392946	JAXDZENHHLHQQZ-UHFFFAOYSA-N	401.491	5.606	30	20	HKED	
O=C(Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(C#Cc2ccccc2)cc1	523319083	OUFWHKWCJSLDJZ-UHFFFAOYSA-N	406.441	5.184	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](c2ccccc2)CC1	533263088	JQARFALNEVWDOC-PZJWPPBQSA-N	407.583	5.289	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc(-c2ccc(Cl)cc2)cs1	534689785	CSZMPDVYPLDINE-KRWDZBQOSA-N	407.857	5.641	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc2c(cc1Cl)OCO2	535466559	WNVAOJOBQZAHTG-UHFFFAOYSA-N	408.866	5.344	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1	537009416	QUWHTIWUQPWUEL-AREMUKBSSA-N	418.500	5.209	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	539865427	YWGWISZCCSROGM-INIZCTEOSA-N	409.580	5.847	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)N(CC)c3ccc(C#N)c(Cl)c3)c2)c1C	540274267	MIRJWFWSORMGAG-UHFFFAOYSA-N	406.917	5.243	30	20	HKED	
C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1	542759752	FFYTXJPMSPGOOK-HHJKRLRDSA-N	410.521	5.474	30	20	HKED	
Cc1c(C(=O)N(CCC#N)c2ccc(F)cc2)sc2nc(C(F)(F)F)ccc12	553821860	KRPHSPMFUCHHEX-UHFFFAOYSA-N	407.392	5.323	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c2ccccc21	560596616	XHHYKBICKDGCLY-GOSISDBHSA-N	400.507	5.306	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1	561494033	HSFJGVVBCOFUNC-QGZVFWFLSA-N	418.255	5.101	30	20	HKED	
N#CCCn1cc(CN2CCC([C@@H](F)c3ccccc3F)CC2)c(-c2ccccc2)n1	563915997	GZNJIFSLVIPWMQ-XMMPIXPASA-N	420.507	5.526	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Br)c1Cl	573426533	MWEOQFWCAOYZFK-UHFFFAOYSA-N	406.711	5.418	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1C	575168522	UFVBKYULTPOOSZ-XMMPIXPASA-N	412.493	5.731	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	577236957	BEBMCDFTJCGYOX-VQTJNVASSA-N	422.550	5.036	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2nc(C3CCOCC3)cs2)cc1	580207921	ZUTXLOYJOCCDRH-UHFFFAOYSA-N	421.547	5.312	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1	581394706	XBEGBNCTGUBAFI-LJQANCHMSA-N	415.331	5.015	30	20	HKED	
CCCc1c(NC(=O)c2ccc(C(F)(F)F)s2)cnn1-c1cccc(C#N)c1	586809976	YSOUYQGBRBNOIS-UHFFFAOYSA-N	404.417	5.029	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CCCCCC#N)cc1C	588257065	NFFXYUMFMDJAKQ-UHFFFAOYSA-N	414.553	5.589	30	20	HKED	
CC(C)Cn1c(Sc2ccc(C#N)cn2)nnc1-c1ccc(Cl)cc1Cl	602375252	UVSJBQFVQFWWEK-UHFFFAOYSA-N	404.326	5.326	30	20	HKED	
C[C@@H](c1nnc(S[C@@H](C#N)Cc2ccccc2)n1-c1ccccc1)N1CCCCC1	604076973	CYVYEOCRNSMBED-SIKLNZKXSA-N	417.582	5.041	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	604456968	BWBLIGZHEXCHDJ-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	605923955	GEDLDJVCDKAESR-SFHVURJKSA-N	403.913	5.230	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	608860142	CRWXFRKUNNUBFW-ZSHCYNCHSA-N	408.386	5.368	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056249	LRYGEXIJTXOXGN-MRXNPFEDSA-N	400.434	5.310	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCOc3ccccc32)cc1Cl	609102251	QAJKHPNAHQJPHP-NHCUHLMSSA-N	402.881	5.500	30	20	HKED	
C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccccc2)O1	609209112	YIBQRCBXMVBQIA-MHECFPHRSA-N	413.477	5.344	30	20	HKED	
N#Cc1ccc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c(F)c1	609228627	AQVMDMQUVGOMFY-UHFFFAOYSA-N	403.438	5.011	30	20	HKED	
CCOc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1F	609262919	AIPAOYFTOCMIHQ-UHFFFAOYSA-N	406.482	5.177	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1ccccc1OC	609401893	IBKWPBCWBWXFCV-MSOLQXFVSA-N	411.571	5.952	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccccc1	609436249	JQIWIFDAOPVRTI-FXAWDEMLSA-N	423.582	5.313	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCc3c(O)cccc32)c1	609731595	CRFCFKZZJGABEP-HXUWFJFHSA-N	404.853	5.127	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)CSc2ccc(C#N)cc2)cc1	610189162	NVMISDMRNZZZBK-QGZVFWFLSA-N	402.519	5.203	30	20	HKED	
C=CCn1c(SCc2ccc(C#N)cc2Br)nnc1-c1cccs1	611492043	PDXJNBGDUAMDLQ-UHFFFAOYSA-N	417.357	5.119	30	20	HKED	
C=CCn1c(SCCOc2c(Cl)cccc2Cl)nnc1-c1ccoc1C	645079599	OTICPHJXQBUGCD-UHFFFAOYSA-N	410.326	5.510	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)s1)c1nc(-c2c(F)cccc2F)cs1	671759068	SXDUOXZCXKHTGI-MRVPVSSYSA-N	414.380	5.659	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cnc2c(c1)COCC2)c1ccc(C(F)(F)F)cc1	679156323	XCLCUGIVTYVKQM-LJQANCHMSA-N	405.420	5.002	30	20	HKED	
COc1ccc(C(C)=NNc2ccc(OCC(F)(F)F)cc2)cc1CN1CCCC1	727262430	QGKGEASNXLWFQU-UHFFFAOYSA-N	421.463	5.068	30	20	HKED	
CCCCOc1ccc(C=NOCc2ncc(-c3cccc(Cl)c3)o2)cc1OC	727437100	MYDQFBGNPTZWCK-UHFFFAOYSA-N	414.889	5.733	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3C(F)(F)F)n2)cc1	729888394	KTCIBCMEBLRYCR-INIZCTEOSA-N	400.425	5.556	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730421966	OQVQQEUWDNOEGM-BXKDBHETSA-N	409.269	5.386	30	20	HKED	
N#CCCCOc1cccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)c1	731938439	QGBFBSLRTJJPNX-SAPNQHFASA-N	418.493	5.844	30	20	HKED	
CCCCc1noc([C@@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1	732377771	UTURNFLQABEYOK-MRXNPFEDSA-N	405.454	5.189	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)c1cc2ccccc2n1CC#N	733069643	CTMSKWDNOFVYSY-INIZCTEOSA-N	401.491	5.515	30	20	HKED	
Cc1cccc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2C)c1	734083796	TYMJTDLTPOLDHX-NRFANRHFSA-N	412.518	5.411	30	20	HKED	
C=CC[C@@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccncc1	734458932	GIHQMDGECPSMBY-CQSZACIVSA-N	410.848	6.016	30	20	HKED	
N#Cc1ccc(-c2cccc(CN[C@H](C(=O)N3CCCCC3)c3ccccc3)c2)s1	739999967	NZWWCHLUEUVPKF-DEOSSOPVSA-N	415.562	5.130	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccccc3F)C3CC3)c2)s1	740485002	ZJIJTCFYUSLTJJ-UHFFFAOYSA-N	405.498	5.300	30	20	HKED	
Fc1ccc([C@@H]2CCCC2=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	741164374	IUHXKALLTGAMCZ-INIZCTEOSA-N	415.394	5.432	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ncoc3-c3ccccc3Cl)c2)s1	741948293	DZQRVMVJZSZSRT-UHFFFAOYSA-N	419.893	5.525	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1F	743036681	OOCCQQFQYACNBZ-UHFFFAOYSA-N	408.414	5.207	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(-c2cscn2)c1	744031177	SFEZZIIVSALUIS-AWEZNQCLSA-N	416.289	5.078	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F	744031986	FXZUTGJLNCHASX-ZHZWZMEUSA-N	424.781	5.249	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1	744032843	ISZMHDQFHDPSKY-ARLHZHEUSA-N	409.555	5.315	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@]12CCc1ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	744037581	AHFFGBLJYGLLHW-NVAPDCRFSA-N	412.436	5.395	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ncc(-c4ccccc4F)o3)cc2F)c1	745993855	VUJBSWUYKUEJMT-UHFFFAOYSA-N	417.415	5.683	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)ccc1OC	749450792	BVFKTTBUKZDELR-VQANOXKBSA-N	420.509	5.081	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)cn2)c1	752192198	PACDZNGZYRMKLT-FQEVSTJZSA-N	404.857	5.378	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1	753322829	YAEYTBDBNMTSTE-IBGZPJMESA-N	411.550	5.055	30	20	HKED	
COc1cc(Cl)c(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1Cl	753887441	JQBXRPXGZRMNJJ-LZYBPNLTSA-N	407.322	5.510	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(NCC(C)(C)C)c2C)ccc1OC	757383051	SUSSJQWRTFMONH-LJQANCHMSA-N	423.557	5.073	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)nc2)cs1)c1ccc(F)cc1F	759084269	ZORCOOPHRNVULN-XQRVVYSFSA-N	419.840	5.050	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@@H]2c2cc(C)on2)c1=S	764876230	PSMHXXJOYDODCR-GOSISDBHSA-N	415.950	5.012	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(CC)Cc2ccc(Cl)cc2)c1=S	764933629	QFIIYTAVSOMCBT-UHFFFAOYSA-N	413.978	5.185	30	20	HKED	
COCCN(Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	768621053	BZMBPISTYNISSY-IRXDYDNUSA-N	406.448	5.206	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(O)c(Cl)c2)cs1	768754083	BHEKKSJAZBLOJD-UXBLZVDNSA-N	412.898	5.391	30	20	HKED	
N#C[C@@H](COC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)Cc1cccs1	772732530	HRRIJQVHWTZCSS-NSHDSACASA-N	423.346	5.718	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	776823774	GHOGVPXKGNRGFR-UHFFFAOYSA-N	412.276	5.428	30	20	HKED	
Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)N[C@H](CCC#N)c1ccccc1	779135160	AACWOZWPXJYCQG-PGRDOPGGSA-N	408.546	5.110	30	20	HKED	
O=C(Nc1cccc(C=NN2Cc3ccccc3C2=O)c1)c1ccc(Cl)cc1Cl	781596796	CMOKSSOTMUHFJR-UHFFFAOYSA-N	424.287	5.236	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc(Cl)nc2ccccc12	782280692	NARWSRXYLXFSRQ-UHFFFAOYSA-N	422.941	5.537	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	785552712	KXSCZKSSHJKAOM-FQEVSTJZSA-N	423.394	5.182	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1SC(C)(C)C	788759659	VMYHVUSSMYPUEO-GOSISDBHSA-N	421.610	6.333	30	20	HKED	
C[C@]12CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C[C@@H]1C2(Cl)Cl	791255103	QWPODQMRAGGSQP-ICSRJNTNSA-N	417.361	5.365	30	20	HKED	
FC(F)(F)c1cc(Br)ccc1C=NNCc1cnc2ccccc2c1	794523366	ALQSQRDLANJRTM-UHFFFAOYSA-N	408.221	5.140	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	805165025	UHELHJKAWIURBT-NIYFSFCBSA-N	405.501	5.708	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C\c2cn(C(C)C)nn2)C(=O)c2ccccc2)c(Cl)c1	806570534	CICGSGNYXJZROH-UNOMPAQXSA-N	422.916	5.034	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccc(F)c(Br)c1	813058579	ZYIQDKDRHBCSSL-XJKSGUPXSA-N	411.274	5.506	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)ccn1	813215538	IATQVOCZAGLQMQ-CYBMUJFWSA-N	419.255	5.517	30	20	HKED	
CC(=NOCc1cccnc1)c1sc(-c2ccccc2Br)nc1C	814883997	LHEXIWFUIOZGPF-UHFFFAOYSA-N	402.317	5.217	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCCSc2ccc(Cl)cc2)cc1	916911973	HWNOZFFYMYIFIP-LJQANCHMSA-N	400.931	5.122	30	20	HKED	
CCCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	916915992	MYLMJMBKKKFCDM-JOCHJYFZSA-N	400.478	5.370	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C)cc1	916955938	VUNPFKLIARZHRQ-QRWLVFNGSA-N	417.534	5.593	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc2cc(Cl)ccc2s1	917046479	DOPYEGFJETWHMW-INIZCTEOSA-N	423.950	5.416	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cs1	917559716	CBUMTUYUODWFPO-XFXZXTDPSA-N	419.481	5.653	30	20	HKED	
CC(C)(C)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	920267949	LUQLYMVWVYREJC-HXUWFJFHSA-N	419.550	5.538	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CC4)cc3)CCC2)c1	1786161588	YEXWSGISVKRELD-INMULRNOSA-N	413.521	5.028	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)[nH]n1	1819552786	BKCDENWEAUOIRS-INIZCTEOSA-N	424.536	5.076	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1	1832473958	IKANHUXYRCGYPO-QFIPXVFZSA-N	414.634	5.179	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccccc2CC)cc1	10833012	KTRZWQWMZCRNRV-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	16062855	ISGYSNHMZBNUGC-SNVBAGLBSA-N	419.293	5.034	30	20	HKED	
CCOCc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	30508457	DTMDCSBVGRBFFN-UHFFFAOYSA-N	402.519	5.176	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	48852513	ASQMJPIRABFQCS-AWEZNQCLSA-N	405.816	5.481	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1Br	78714799	JVTPSSHAIZHFIM-CQSZACIVSA-N	418.360	5.365	30	20	HKED	
Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C	303917722	NZVARYPBSZZOCM-HTAPYJJXSA-N	407.583	5.331	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C	410375278	PMMGCLSKZIPUSJ-UHFFFAOYSA-N	410.473	5.167	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COC(C)(C)CC)c1C	428757073	CPUNBCAKKWWONB-UHFFFAOYSA-N	407.558	6.016	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)c(Cl)c1	432543713	VKUVZPMDVSAVAT-UHFFFAOYSA-N	406.917	5.240	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N(Cc1cccs1)Cc1cccs1	432592443	JIDRFZBJJAQGOL-UHFFFAOYSA-N	423.563	5.019	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1	432628812	BAQYKGFDXTYLPK-LJQANCHMSA-N	417.431	5.155	30	20	HKED	
Cc1c(Br)ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1F	433751938	RVLPXZLTHRNRLJ-YJBOKZPZSA-N	416.294	5.200	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1	438042175	OSKRIFGAWVAJDS-DLBZAZTESA-N	405.527	5.007	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H](c2ccc(F)cc2)O1	438066595	LTSNTRAFFPLJMX-GQIGUUNPSA-N	413.518	5.071	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	439435591	DTHGKLICJNMCMU-UHFFFAOYSA-N	405.395	5.378	30	20	HKED	
C[C@@](Cc1nc2ccccc2s1)(C(=O)NCC1CCC(C#N)CC1)c1ccccc1	441147157	WZITYLMUNNDJRZ-BRVOVERQSA-N	417.578	5.243	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccc(C(F)(F)F)cc1	442287090	AMJNTVWSNTWYOI-ZWKOTPCHSA-N	406.452	5.373	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1ccccn1)C1CC1)c1ccc(C(F)(F)F)cc1	442294478	QWLNVPKFDOVFNT-FQEVSTJZSA-N	403.448	5.482	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(Br)s1	443303756	AEFVXVNQFFMLDG-BMFZPTHFSA-N	418.360	5.053	30	20	HKED	
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	443812808	GDEKMTCIGVMPTH-PLMTUMEDSA-N	423.944	5.019	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](c2nccn2C)C1)c1ccc(C(F)(F)F)cc1	444148193	XZOAFIDBNLXWHE-MJGOQNOKSA-N	420.479	5.035	30	20	HKED	
COCc1cccc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	446954040	JRYHOHSFALIZFN-MRXNPFEDSA-N	400.569	5.099	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1ccc(F)c(F)c1	460888080	VWYFICVARACFLX-MOPGFXCFSA-N	416.472	5.169	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1)c1ccc(F)c(F)c1	460888081	VWYFICVARACFLX-OALUTQOASA-N	416.472	5.169	30	20	HKED	
O=C(Nc1cc(Br)c(F)cc1F)c1c(F)cc(C(F)(F)F)cc1F	464406991	XILHNCHRZRPCJU-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2nccc(-c3ccco3)n2)cc1Cl	464444729	FJYONJMIUUKXTC-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1	464933390	GVRSSKQCTQALLS-ICSRJNTNSA-N	407.926	5.375	30	20	HKED	
Cc1nccn1CCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	466005340	LUNAMLLQGKJUSZ-OAQYLSRUSA-N	421.932	5.102	30	20	HKED	
Cc1coc(-c2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)n1	467976342	AYPNSKGFQUNSFB-UHFFFAOYSA-N	409.445	5.761	30	20	HKED	
COc1ccc(-c2ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c(F)c2)cc1	468532971	RTSDIZZHHHKUJN-UHFFFAOYSA-N	423.328	5.458	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CCC[C@]12CCCCO2	468646349	CUMHSUXYZQCPMP-FYYLOGMGSA-N	410.901	5.200	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	471162796	QVPHHKZLYHCRJT-UHFFFAOYSA-N	417.962	5.507	30	20	HKED	
CCCc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1Cl	472235582	ASDWFIIFIYRCKD-UHFFFAOYSA-N	409.917	5.128	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@@H]1c1ccccc1	472747323	GSOIBOIOHGGQNL-ZVDOUQERSA-N	407.583	6.128	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1	475563050	PKXLEADKUPHUOB-IFMALSPDSA-N	416.924	5.983	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1	475663737	DWCAJOLGQZJGKJ-ICSRJNTNSA-N	419.525	5.530	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccc(OC)c(Br)c1	476120760	LUNVVTCNVHQTQR-UHFFFAOYSA-N	416.359	5.881	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1Br	478757136	XBADPWUBCIOUQL-UHFFFAOYSA-N	404.695	5.194	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1C)c1ccc(F)c(F)c1	480613018	RVLQTHNKHDRFKD-OAQYLSRUSA-N	415.484	5.098	30	20	HKED	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(Cl)cc1C#N	480755195	FYDAOKVJLPOLLY-UHFFFAOYSA-N	401.297	5.327	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)CSCc3ccc(C#N)cc3)c2C(C)C)cc1	481854838	BRDBIYOQCAZYKZ-UHFFFAOYSA-N	404.539	5.048	30	20	HKED	
CCCCn1ncc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C(C)C	482710964	RQSSEZZHZYTKGK-UHFFFAOYSA-N	418.566	6.082	30	20	HKED	
Cc1nc2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)ccc2n1-c1ccccc1	483211269	NYDVGPAGOKEBSD-QFIPXVFZSA-N	402.457	5.372	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cc(F)c(Br)cc2Cl)c(C#N)s1	483800819	AHGBKDLSDKWYJM-UHFFFAOYSA-N	415.715	5.725	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)cc1	483864400	DCNSAULCIKDERY-UHFFFAOYSA-N	421.504	5.047	30	20	HKED	
N#Cc1cnc(C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c(Cl)c1	485776302	VHLFVAAXBKQSCE-FQEVSTJZSA-N	407.926	5.066	30	20	HKED	
C[C@@H](CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1c[nH]c2ccccc12	486138476	PIGDFBKRTRFIKP-AWEZNQCLSA-N	403.873	5.011	30	20	HKED	
C=CCn1c(SCc2ccc(Br)cc2Cl)nnc1-c1cccnc1	489164544	SRMSJFIFZYIPLY-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
CO[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(O)cc1	494334256	URYCWWJRAZQDTP-UNMCSNQZSA-N	406.869	5.027	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1c(Cl)cccc1Cl	499809239	GOSDCYMUQLQSKL-OAHLLOKOSA-N	406.656	5.296	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccncc1	501131509	XVJDKEQMVGFRCO-CYBMUJFWSA-N	424.917	5.083	30	20	HKED	
CCc1c(C(F)(F)F)noc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	505964085	KOQFJSIXZXICIR-UHFFFAOYSA-N	400.360	5.123	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C1CC1	507260983	FYXGMPMZSVGCNJ-UHFFFAOYSA-N	400.482	5.333	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(F)c(F)c2)cc1	508278781	LNJQOUXQYYCSIM-UHFFFAOYSA-N	423.419	5.301	30	20	HKED	
O=C(NCc1cccc(C(F)(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	508773230	HBCCVURYRHAKAI-HNNXBMFYSA-N	408.317	5.337	30	20	HKED	
CCN(C(=O)CCSc1ncnc2sc(C)c(C)c12)[C@H](C)c1ccc(C#N)cc1	509583036	JIVQFJCXHFWLIY-OAHLLOKOSA-N	424.595	5.272	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@](O)(C(F)(F)F)CC1	512557446	RENTWFFUFRBCCF-YGRLFVJLSA-N	423.319	5.565	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1	517522353	PZHTWCPTGLMIEE-OAHLLOKOSA-N	420.538	5.504	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc2)nc1	518373279	REDSJUDARWDNIM-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	518906458	GDYKRVZBEWLIPK-RTWAWAEBSA-N	400.444	5.365	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccnc3)cc2Cl)cc1	520406061	VZCCBEGFUAECPE-OAQYLSRUSA-N	418.884	5.768	30	20	HKED	
CSCc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	520538051	XXHWLRHDNZOLKH-HSZRJFAPSA-N	402.519	5.123	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C	521200364	GUHYROZSVUFVCR-KRWDZBQOSA-N	409.530	5.716	30	20	HKED	
CC[C@@](C)(C#N)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1	523670277	NJZDYWQKKNIMGA-IBGZPJMESA-N	421.353	5.183	30	20	HKED	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523881602	IUXRIJBKDUHYQC-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1	524565496	WIOGSMDGYFUKSU-ZDUSSCGKSA-N	408.354	5.909	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl	525415962	DRORPVYVPPZMIO-XNJGSVPQSA-N	403.910	5.408	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC=C(C(F)(F)F)CC1	533855881	XALBMTKZIGMMRK-UHFFFAOYSA-N	415.415	5.172	30	20	HKED	
CCC[C@H](C#N)NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	537724807	HGTIKALGXNSDCQ-XCMFGDQWSA-N	405.523	5.044	30	20	HKED	
C=CCC[C@@H](NCc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccccc1	539358426	PEWXINPQQULQOJ-JOCHJYFZSA-N	405.567	5.430	30	20	HKED	
CCC[C@H](C#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1	539927093	HYYWMAHMMYUNFF-MRXNPFEDSA-N	403.345	5.163	30	20	HKED	
COc1ccc([C@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Br	540608420	RHUUUWCHWIVOBH-WAIKUNEKSA-N	421.338	5.770	30	20	HKED	
Cc1cc(Br)cc(Cl)c1C(=O)Nc1nc(C)c(SCC#N)s1	540875935	PVFBFPKYYUFPBI-UHFFFAOYSA-N	416.753	5.044	30	20	HKED	
N#CCC1CCN(C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)CC1	541985490	YWOKNQKXZLMQDJ-UHFFFAOYSA-N	421.928	5.140	30	20	HKED	
COc1ccc([C@@H](NC(=O)Cc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1	542777615	ZSANHIYUZOTMAY-QHCPKHFHSA-N	424.422	5.034	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)n1	542962072	MVQASRQXWKTNOU-LJQANCHMSA-N	423.879	5.296	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542994669	QDWFKTBJHUHLFH-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
C=CCN(C(=O)c1cc(-c2cnn(C)c2)ccc1F)c1nc(-c2ccccc2)cs1	543867579	ZIYGZRGRBAWTAY-UHFFFAOYSA-N	418.497	5.183	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	546754586	UFQSUCUKVVCAHK-FUHWJXTLSA-N	408.926	5.159	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(C#N)c(Cl)c3)c2)cc1	547630607	JYMRLUOVOLCYBG-UHFFFAOYSA-N	401.853	5.109	30	20	HKED	
Cc1cc(SCC(=O)c2cn(CCC#N)c3ccccc23)n(-c2ccccc2)n1	550014748	ZXNKZKOWDHQPMJ-UHFFFAOYSA-N	400.507	5.024	30	20	HKED	
CC(C)CN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)c1ccccc1Cl	551446457	BIIOLJWGGRMIBR-CQSZACIVSA-N	418.324	5.049	30	20	HKED	
Cc1nc(SCC(=O)N[C@@H](CCCC#N)c2ccccc2)c2c(C)c(C)sc2n1	554519112	SGEUGFVWLXKCCC-SFHVURJKSA-N	424.595	5.260	30	20	HKED	
Cc1c(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)sc2ccc(C#N)cc12	559949697	MTFVHJHMRWCHHK-MRXNPFEDSA-N	409.486	5.064	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	564171512	YFLHSIYNHZIXQQ-OAHLLOKOSA-N	407.775	5.627	30	20	HKED	
C[C@@H](CNC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	576297608	JPZNFVDCHKYYOK-QMMMGPOBSA-N	410.280	5.064	30	20	HKED	
Cc1cncc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	581502546	TWAUSWOXCCWVCF-UHFFFAOYSA-N	405.885	5.065	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCOc1cccc(Br)c1	581743357	RJHLCDXBHRJUIE-CQSZACIVSA-N	419.344	5.251	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)cc2)ccn1	583964492	NTZCNYXPDAXZPJ-QHCPKHFHSA-N	413.481	5.290	30	20	HKED	
C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	588780584	FRTSHRCURXFJBD-WNSKOXEYSA-N	418.493	5.242	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)s1	602738862	CNNYWQAOFNJJMB-UHFFFAOYSA-N	422.560	5.356	30	20	HKED	
COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C#N)cc2C(F)(F)F)cc1	602760652	QBKASVFDVPEUBR-OAQYLSRUSA-N	423.394	5.357	30	20	HKED	
CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cn1	603740145	PKCASUJQBMRNGN-UHFFFAOYSA-N	421.460	5.161	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc(-c2ccc(Cl)cc2)cs1	603836536	AZHGOXTZHHMNFN-HNNXBMFYSA-N	422.853	5.343	30	20	HKED	
Cc1cc(F)cc2[nH]c(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc12	604860572	DVNQMFCKIHTCAI-IAZYJMLFSA-N	410.333	5.255	30	20	HKED	
Cc1csc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	609047051	RBLDYLNFRISGTA-KSSFIOAISA-N	410.930	5.643	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(F)cc1F	609078174	FIPUHQUODGJILN-UHFFFAOYSA-N	407.420	5.046	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)c1	609184967	JEZAZEFFHFQKQQ-UHFFFAOYSA-N	422.937	5.624	30	20	HKED	
COc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209836	PLQNOHJEWGEMFR-NRFANRHFSA-N	415.449	5.004	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)Nc3nc(C)c(SCC#N)s3)c2)c1	609262117	KRKGSCCDKUIERW-UHFFFAOYSA-N	423.563	5.136	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1	609398044	DCRAJSSQEPHYBC-SJORKVTESA-N	420.538	5.491	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCN(C3CCCC3)CC2)c1	609995796	OWHOUZXZCYFGAZ-UHFFFAOYSA-N	423.944	5.094	30	20	HKED	
COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	620304160	FQGUKYIFBXFJEV-LBPRGKRZSA-N	404.825	5.240	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622478088	UPSCKBJPVNAJBD-XHDPSFHLSA-N	423.328	5.422	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2ccccc2s1	642280963	QRXCLMZLGHFDFW-GOSISDBHSA-N	421.485	5.034	30	20	HKED	
C=C(C)CN(CC)C(=O)c1ccc(Oc2ccc(C(=O)N(CC)CC(=C)C)cc2)cc1	643137825	IAFYGILBUQIXNX-UHFFFAOYSA-N	420.553	5.555	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2c(F)cccc2F)n1	726319009	VYKPBKYYVJGTJV-ZDUSSCGKSA-N	421.428	5.083	30	20	HKED	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1	726626771	LFASWEKGCTWSEL-GIJQJNRQSA-N	414.939	5.405	30	20	HKED	
Cc1cc(OCCCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1Cl	730418549	XLFGTEIVHHMLCA-HNNXBMFYSA-N	402.878	5.433	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCC(C)C)n2)cc1	731412662	WVAQKTSOBYTYST-IBGZPJMESA-N	406.507	5.344	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(F)c1	732495484	BEHAYYIGZFLHJH-USYSOWRXSA-N	404.388	5.734	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc2)n1	733258781	LGVNVTKNEZIONA-GOSISDBHSA-N	413.955	5.392	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cc1	734429137	ALCRRTQWJSFVHY-UHFFFAOYSA-N	414.431	5.505	30	20	HKED	
CN(CCc1ccccc1F)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	735011390	CXPHQWGHCBALEW-UHFFFAOYSA-N	408.860	5.458	30	20	HKED	
CC(C)C[C@@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccccc1	735319403	ZVXREGOKDUDBKL-HXUWFJFHSA-N	416.974	5.379	30	20	HKED	
CC1(C)Oc2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2O1	740442955	GZAMCOLRJMDMGX-UHFFFAOYSA-N	405.479	5.116	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc(Br)c1O	741473950	VGVUSBVGBDFCMQ-VOTSOKGWSA-N	424.294	5.512	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2F)o1)c1ccc(S(=O)(=O)CC(F)F)cc1	741851625	BYYNWJVDQGJHSN-XFFZJAGNSA-N	420.408	5.021	30	20	HKED	
COc1ccc2sc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c(C)c2c1	741903722	SUWSYHCPUCKAQG-JOCHJYFZSA-N	412.514	6.126	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1	741911220	XYGSIJHBCHSKQI-UHFFFAOYSA-N	410.395	5.706	30	20	HKED	
CSc1cccc([C@H](NC(=O)c2ccccc2OCC#N)c2ccc(F)c(F)c2)c1	744373317	VPEVNYGPWCRTOX-QFIPXVFZSA-N	424.472	5.108	30	20	HKED	
C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(C)Cc2nccs2)c1=S	746388747	HHRPULCSTSNKDZ-UHFFFAOYSA-N	413.616	5.111	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OC	746522949	NYLTYRMBQNHZPB-CZUORRHYSA-N	421.324	5.103	30	20	HKED	
CC(=O)N(c1nc(C=NNc2cccc3ccccc23)cs1)c1ccc(F)cc1F	747060519	UZVOUGLODBKFPR-UHFFFAOYSA-N	422.460	5.705	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(F)cc1)C(=O)c1ccccc1	747149866	KUYYNGFIQIAXRZ-HAVVHWLPSA-N	401.481	5.856	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2ccnc3cc(C(F)(F)F)ccc23)ccc1OC	751888236	DCHXDVWMSIJJFM-INIZCTEOSA-N	415.415	5.555	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2ncnc3oc(-c4ccccc4)cc23)ccc1OC	752635366	MZDIVRMPXJMQNF-SFHVURJKSA-N	414.465	5.191	30	20	HKED	
N#C[C@@H]1C(CN2CCCCC[C@@H]2/C=C/c2ccccc2)=CC(=O)n2c1nc1ccccc12	753859916	BBSVITVNDCWHAE-VGKGJIMCSA-N	422.532	5.182	30	20	HKED	
N#Cc1ccccc1NC(=S)N(Cc1ccccc1Br)C1CCCC1	767687696	VWDLUAAWEQPEHO-UHFFFAOYSA-N	414.372	5.462	30	20	HKED	
N#CC1(c2ccc(C(=O)O[C@H](c3cccnc3)c3cccc(C(F)(F)F)c3)cc2)CC1	777338017	XRSVBXVOEBXJQR-NRFANRHFSA-N	422.406	5.602	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	780683377	HOYKTXRWMQSNDO-INIZCTEOSA-N	402.498	5.179	30	20	HKED	
C[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782828431	DUTSHWCTYBGXOB-QMHKHESXSA-N	404.897	5.180	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OC	787167313	CNRXTSJYMMMQOQ-RBYWHNRPSA-N	406.482	5.028	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C3SCCS3)c2)c1C#N	790271654	JCEFEIVZDSSWQM-UHFFFAOYSA-N	413.593	5.283	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2cnn(-c3cc(C)ccc3C)c2C)cn1	792886103	SCRWAHYFONNDRF-QXMHVHEDSA-N	424.504	5.159	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccc(Br)cc2F)C2CC2)c1	794808857	CRJZNPOUFUKEEH-UWJYYQICSA-N	417.322	5.510	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(F)c2ccccc12	796362592	VZTZSGQQCHAMQG-OAHLLOKOSA-N	422.481	5.026	30	20	HKED	
CC(C)(C)N1CC[C@@H](NCc2ccc(OCC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	801954740	JMDFFWKYVVLTTR-YADHBBJMSA-N	415.940	5.085	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(C2OCCO2)c1)c1ccc(C(F)(F)F)cc1	808860969	QSRGKQLZRZFSSV-LJQANCHMSA-N	420.431	5.580	30	20	HKED	
Cc1sc2ncn(N=Cc3csc4ccccc34)c(=O)c2c1-c1ccccc1	812403529	OJQJSRZYNOSDKZ-UHFFFAOYSA-N	401.516	5.530	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ncc(C(C)C)s2)c1	814776361	SSQPRVPJDINROY-UHFFFAOYSA-N	415.588	5.040	30	20	HKED	
C[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl	816760955	MTBOXEDPPQEQBL-SSDOTTSWSA-N	414.708	5.403	30	20	HKED	
Cc1cc(C#N)cc(C)c1Cc1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	904493214	ALUDBMVZCIYDJH-UHFFFAOYSA-N	419.488	5.214	30	20	HKED	
N#C[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	917045543	WOLMVLUMEVMQBF-HNNXBMFYSA-N	407.322	5.103	30	20	HKED	
C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OC	917644852	NRYIKHPTFXOSAZ-AUQXIXNCSA-N	411.548	5.222	30	20	HKED	
Cc1cccc(CSCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920140491	HLPBYOPSOMXMEC-LJQANCHMSA-N	403.532	5.100	30	20	HKED	
C=CCC[C@@H](NC(=O)N(CCC)Cc1nc(O)c2sccc2n1)c1ccccc1	1319324490	JRQLDBYJKFRFDE-QGZVFWFLSA-N	410.543	5.026	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3Cl)CCC2)cc1	1786679498	MLRJKHIAJNROKU-UHFFFAOYSA-N	414.958	5.007	30	20	HKED	
CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1	1831464088	ABFOJMSYJZCVSY-RDPSFJRHSA-N	423.601	5.008	30	20	HKED	
CSCc1nc2ccccc2n1CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1	15668205	PVYJEIMMTWPFMA-UHFFFAOYSA-N	413.502	5.044	30	20	HKED	
N#Cc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1	21958521	UNVWSXYAPOWXEN-DHDCSXOGSA-N	401.278	5.052	30	20	HKED	
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(C(C)C)cc1C(C)C	27138736	QZWXEQBZYOCARC-UHFFFAOYSA-N	403.530	5.036	30	20	HKED	
C=CCN(C(=O)[C@@H](C)n1cccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	28485994	MBVVLDQKNMIGIU-GFCCVEGCSA-N	407.326	5.094	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3csc(Br)c3)c2)c1	32290972	JORMJCJEFNZPSL-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Oc2cccnc2)cc1	63303463	TZMKQCPKCRUEAD-UHFFFAOYSA-N	421.456	6.099	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	63390213	JZBAQAVIUOERMX-UHFFFAOYSA-N	423.469	5.247	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(CC)no2)nc2cc(-c3ccccc3)sc2c1=O	72000739	ORYLUYPVKHTMLO-ZDUSSCGKSA-N	424.551	5.110	30	20	HKED	
CCO[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	195655193	VZICWXLZKXPYJX-GGAORHGYSA-N	404.897	5.712	30	20	HKED	
C[C@H](c1ccccc1)n1c(Sc2snc(Cl)c2C#N)nnc1-c1ccccc1	301929077	LNEVVHWYRCFWFJ-CYBMUJFWSA-N	423.954	5.687	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1SC(F)F	303366305	RGWXXHGKLOUFNH-CYBMUJFWSA-N	407.511	5.446	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1	428063417	MAWAXKZWXPDZPI-UHFFFAOYSA-N	415.518	5.148	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21	428647644	ZJYHBYPDYRBIPM-VWLOTQADSA-N	423.516	5.138	30	20	HKED	
N#CCCn1ncc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c1-c1ccccc1	430290572	RNIVHPWWPIMRPM-IBGZPJMESA-N	416.500	5.013	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cccc(SCC#N)c2)cc1	430599904	QTSIAZBHJDZNEC-KRWDZBQOSA-N	402.519	5.469	30	20	HKED	
C[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)Nc1ccccc1SCC#N	433301098	FREHSOFRTQEQJF-CYBMUJFWSA-N	408.354	5.241	30	20	HKED	
O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N[C@H](CC(F)(F)F)c1ccccc1	433621675	LGXDORAWSPZCBN-CABCVRRESA-N	408.317	5.264	30	20	HKED	
Cn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1ccco1	434642218	FOZGDRWTHJWUCZ-UHFFFAOYSA-N	400.507	5.067	30	20	HKED	
C=CCn1c(S[C@@H](Cc2cccc(Cl)c2F)C(C)=O)nnc1-c1ccoc1C	436135854	RNIIRJIORXEURB-KRWDZBQOSA-N	419.909	5.117	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	438632992	FIVBCHTYCWYIKU-UHFFFAOYSA-N	411.864	5.887	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(OCC(C)C)CC1)c1ccc(C(F)(F)F)cc1	441530125	PVAUXDQEVGLFPK-FQEVSTJZSA-N	412.496	5.559	30	20	HKED	
C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3ccccc3OC)n2)CCCC1(C)C	444780758	FOFDKOIZXICFQD-NRFANRHFSA-N	413.587	5.403	30	20	HKED	
C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	460335847	PURHWVIGIBSWJU-IBGZPJMESA-N	411.505	5.278	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1	460457950	FOCJPEOGKHEYQG-HXUWFJFHSA-N	408.473	5.053	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCCO2)n1Cc1cccs1	461504549	ABGPUAZGIVOZLE-INIZCTEOSA-N	420.991	5.147	30	20	HKED	
COc1cccc(Cl)c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	462440876	MMBWGLUBWFPKBW-UHFFFAOYSA-N	420.896	5.175	30	20	HKED	
CSCc1cccnc1C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	463342903	BRUYKTQFTPOJIF-UHFFFAOYSA-N	405.498	5.111	30	20	HKED	
CCOc1c(F)cccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	463377067	SBKFWBXPQFMKDZ-IBGZPJMESA-N	408.860	5.786	30	20	HKED	
CC[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	468599528	RGUBIZJVLXJTLN-MNOVXSKESA-N	410.280	5.339	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CCC[C@]12CCCCO2	468646352	CUMHSUXYZQCPMP-JTHBVZDNSA-N	410.901	5.200	30	20	HKED	
Cc1ccc(-c2ncc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)s2)cc1	469140823	VLUOKXBHSDNTDO-UHFFFAOYSA-N	416.550	5.314	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470533451	UKZPDFCWFMVSBX-JOCHJYFZSA-N	416.525	5.099	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)F)cc1	474264746	HREHQLSCJWIVNM-AWEZNQCLSA-N	411.292	6.067	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cs2)cc1	474442906	AIDLTWZHEJLZLJ-MRXNPFEDSA-N	411.552	5.667	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21	475547079	NRJDFDZJJPPSLR-HXUWFJFHSA-N	402.542	5.585	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccccc1	475757353	UFJNKWXZRMEPAS-CUNXSJBXSA-N	410.517	5.305	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C[C@@H](CC#N)c2ccccc2)cc1	476112707	RLGZDXNULFTYBG-HYBUGGRVSA-N	412.533	5.969	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	476120800	DBFLNWUYTDYNNK-UHFFFAOYSA-N	406.913	6.632	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2cccc(F)c2)n1	481373202	MXUKAFANHKEWCZ-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
C=C(C)[C@H](NCc1ncc(-c2cccc(Br)c2)o1)c1ccc(F)c(F)c1	481612243	SBWCHPLSMGVJKE-FQEVSTJZSA-N	419.269	5.789	30	20	HKED	
O=C(N[C@H]1CCCC(F)(F)C1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482404842	XDHNMKOSIYNMIU-CABZTGNLSA-N	404.301	5.186	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(Oc3ccncc3)c2)c1	482850080	RYCZDEGILUWNAK-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC)c1ccc(F)c(F)c1	483288844	KFBPQDBOMMRFEC-YADHBBJMSA-N	424.495	5.498	30	20	HKED	
Cc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1-c1ncco1	483786720	PVYRWTRKIXHZJW-UHFFFAOYSA-N	416.481	5.033	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	484169970	AZJUZOLHZVGHMI-QRWLVFNGSA-N	421.932	6.115	30	20	HKED	
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	488030504	ZFNWJDIXGISGFE-OFNKIYASSA-N	408.567	5.032	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C	498384507	DWADHJBDQSMBRO-QFIPXVFZSA-N	419.525	5.025	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(OCc2ccccc2)cc1	505332904	YSCLPBHZMMDTRN-ZVDOUQERSA-N	416.443	5.315	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([C@H]4CCCOC4)cc3)n2)cc1	505432653	BXCPEDXPBJVZEU-SFTDATJTSA-N	402.519	5.503	30	20	HKED	
COc1cc(C)cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	505873667	ZPJGLGLPTYHBEF-UHFFFAOYSA-N	402.519	5.098	30	20	HKED	
CC(C)(C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1cc(F)cc(C#N)c1	507170654	PPTDQJKVGNCNAD-UHFFFAOYSA-N	419.431	5.005	30	20	HKED	
CCOc1cc(CNC2CCC(C#N)(c3ccccc3)CC2)ccc1OC(F)F	507628892	HBDMXUIJCSTUBI-UHFFFAOYSA-N	400.469	5.180	30	20	HKED	
CN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccccc1C#N	508086035	ZQDNZQPMHUWVIS-UHFFFAOYSA-N	412.424	5.055	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)ccc1OC(F)(F)F	508241167	JTRQTCNNYZGTNO-UHFFFAOYSA-N	417.774	5.425	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1Cl	509228555	WNMXQUZQTPGFEQ-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccccc1)c1nccs1	510597344	LRXLTLKTWCXHTO-QGZVFWFLSA-N	403.960	5.345	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1	511372525	IUMYOQRESRUQOL-OWRAIZPZSA-N	415.537	5.278	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)n1	513681846	KROKMHRGZOLASP-QGZVFWFLSA-N	410.930	5.050	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)c1c(C)noc1C	513775811	WDRSDMIPVRFLQQ-MRXNPFEDSA-N	405.473	5.338	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC(F)(F)F)CC1	516604744	CFTDOAWZGHVITE-UHFFFAOYSA-N	410.509	5.234	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	518361365	DDDFZZYHONAOLU-GFCCVEGCSA-N	419.337	5.074	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1	519058050	DEXCPQNBKWANBJ-UHFFFAOYSA-N	424.888	5.163	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)CCCCOc1cccc(C#N)c1	520322541	WMFAXAHNHMYVMS-UHFFFAOYSA-N	401.304	5.125	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc3cccnc23)cc1	523696463	YQLCDAUPJSBANO-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	524192277	GRHVFJXCRQRFHT-RTBURBONSA-N	422.598	5.285	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)c1	524493830	CTUXCJDWILMOKV-UHFFFAOYSA-N	404.469	6.057	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1	525557254	GDDGBTWPQQDATH-UHFFFAOYSA-N	411.933	5.247	30	20	HKED	
COc1cnccc1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	527332001	PFFORBBZIYQRGU-AWEZNQCLSA-N	422.872	5.290	30	20	HKED	
CCn1c(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)nc2cc(C#N)ccc21	536544028	SCMGQYSJGADMNP-UHFFFAOYSA-N	417.856	5.021	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	537025436	VHMAQSZJQVCDRQ-ZWKOTPCHSA-N	411.571	5.157	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cc(C)n([C@@H](C)CC)n2)cc1OC	538486883	CEBMWHBRBFJYDH-ZDUSSCGKSA-N	408.340	5.111	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)c1ccc(C2(C#N)CC2)cc1	539686929	NXBFCZWXVUEFRR-UHFFFAOYSA-N	414.530	5.795	30	20	HKED	
CC[C@H](C)n1nc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C	540543299	VPTIHXCZQJMEQO-INIZCTEOSA-N	404.539	5.579	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1noc(-c2ccccc2)n1	540611533	KIPFKGRXKWGSST-SFHVURJKSA-N	410.477	5.038	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)s1)c1ccccc1	541342005	IHNSFFXSSYAVFR-JKSUJKDBSA-N	418.360	5.402	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)C[C@@H](C)c1nccs1)c1ccc(C(F)(F)F)cc1	541480947	IRUHBDCNWKZTTB-RHSMWYFYSA-N	411.493	5.614	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N3CCC(CC#N)CC3)cc2Cl)n1	543828352	ZYKGTPGYLWOXFY-UHFFFAOYSA-N	406.964	5.414	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C	546003378	YHYRWFQZGBYUDX-OAHLLOKOSA-N	406.511	5.224	30	20	HKED	
N#C[C@H](C(=O)c1coc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1	549151841	GNBKCDLGSPDEGT-GFCCVEGCSA-N	407.676	5.309	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)cc2cccnc12	551572922	VDTKRHVGXDBHKE-UHFFFAOYSA-N	419.403	5.651	30	20	HKED	
CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	559492316	SERTTWBFCDAXOU-LJQANCHMSA-N	403.448	5.236	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc3ccccc3n2C(F)F)n1	559982563	FYXHLXPIILKIOE-SNVBAGLBSA-N	412.387	5.879	30	20	HKED	
O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@@H]1CC[C@@H](C(F)(F)F)C1	560621499	RCFFASKSVPFMRC-HTQZYQBOSA-N	415.284	5.134	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4cccc(NC(=O)c5ccccc5F)c4)no3)CC2)cc1	580799319	MTQOEOHCTDIRSW-UHFFFAOYSA-N	424.435	5.080	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C#N)c(Br)c3)o2)cc1	580857309	JTQXHWBMFXHKNN-UHFFFAOYSA-N	409.239	5.036	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H](Oc2ccc(Br)cc2)C(C)C)no1	583467024	IPIOOYRWFJLQIC-ZACQAIPSSA-N	407.308	5.057	30	20	HKED	
C=CCc1cc(CN[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc(OC)c1O	608061847	LJHFKGGFQLASFV-GOSISDBHSA-N	403.522	5.656	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(SCc2c(C#N)c(C)nn2-c2ccccc2)o1	609019083	YMLUYXMNRXXMAK-IBGZPJMESA-N	415.522	5.270	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	609064427	VUQJHJWJDOKRBN-UHFFFAOYSA-N	408.910	5.765	30	20	HKED	
Cc1c(NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)cccc1[N+](=O)[O-]	609222004	NHVIFMLRSCRPDD-MRXNPFEDSA-N	416.437	5.006	30	20	HKED	
Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609305755	SVDPHSLWITYTGZ-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3csc(-c4ccoc4)n3)c2)cc1	609371124	CXRXCNZQISSVFX-UHFFFAOYSA-N	415.474	5.300	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609514259	OXZGWYGPFBLXRM-RUZDIDTESA-N	412.489	5.531	30	20	HKED	
COc1ccc2[nH]cc(C3=CCN(c4c(C#N)cnc5c(F)ccc(F)c45)CC3)c2c1	610273594	VSHHIHWZUHRNTQ-UHFFFAOYSA-N	416.431	5.168	30	20	HKED	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cccc(C#Cc2cccs2)c1	610465652	YJEMZOWWMDEHIT-SFNQZPIRSA-N	422.575	5.110	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccc2ccccc2n1	611211922	SLFVUIYTNCUKMP-LJQANCHMSA-N	417.490	5.668	30	20	HKED	
CC(C)n1ncc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cnc21	613319888	PDJHFYLPECHQAW-QGZVFWFLSA-N	421.913	5.279	30	20	HKED	
CC(C)OCc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)oc2ccccc12	613407338	RCULICJIEALVPB-OAHLLOKOSA-N	424.909	6.111	30	20	HKED	
CC(C)(C#N)c1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1	614173400	OSWRRKCEMOOAGU-LJQANCHMSA-N	404.489	5.056	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCc1ccc(C#N)c(Cl)c1)C1CC1	619827331	BSLHYWLSZFSOFX-ZDUSSCGKSA-N	421.850	5.666	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc(Cl)cc1	619864086	PGZWFVXGBVDNJC-NVXWUHKLSA-N	416.959	5.196	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	673765633	DZUSBDBRGBNJLJ-GHMZBOCLSA-N	422.291	5.608	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2cccc(Br)c2)C2CC2)cc1Cl	726456922	LPDFHUSASROUMN-UHFFFAOYSA-N	420.763	5.336	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3ccc4ncccc4c3)SC2=S)cc1Cl	726628223	ZWSQVPOCHDSMEF-NVMNQCDNSA-N	407.907	5.166	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1	726846491	OIHODJOQACOMFA-UHFFFAOYSA-N	408.571	5.193	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nc(-c4cccs4)no3)cc2Cl)c1	728051880	PDFLOJLGNNAIQV-UHFFFAOYSA-N	422.897	5.514	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc(SCc3csc(C)n3)cc2)C(C)C)c1	728247230	VOYDHRVFZWFNSP-UHFFFAOYSA-N	406.576	5.780	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)sc2c1	729187170	YEIGGNOIEYUEJC-AWEZNQCLSA-N	403.290	5.478	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1	729574332	UBJCTRGFGBMICI-UHFFFAOYSA-N	406.486	5.125	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c1OC	730222427	VZAXXYUMLUPJMB-HXUWFJFHSA-N	424.859	5.158	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)n1	730393842	DCFIAGJFUVFODA-DNVCBOLYSA-N	400.475	5.440	30	20	HKED	
N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc2cc(F)ccc2s1	730421902	RHKRKMYHAXIPOH-MRXNPFEDSA-N	423.494	5.200	30	20	HKED	
Cc1ccc([C@@H](NC(=O)c2ccccc2OCC#N)c2ccc(F)cc2Cl)cc1	730975043	VLVNHAGEQJPKJT-JOCHJYFZSA-N	408.860	5.209	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC1CCC(c2ccccc2)CC1	731137072	ZOLXUKITHUXDHO-PBSMCPNCSA-N	416.565	5.823	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	731287543	FPHSEMLLTPSCOE-FHWLQOOXSA-N	406.844	5.083	30	20	HKED	
C#CCN(Cc1coc(-c2ccccc2)n1)[C@@H]1CCOc2ccc(Br)cc21	733613681	GZFIEYYJJUZAQC-HXUWFJFHSA-N	423.310	5.063	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccncc1	734662067	VSUQGGRHSBTXOC-PKTZIBPZSA-N	405.929	5.635	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)c1cc2ccccc2n1CC#N	739593060	ZWAWNJYSMMGLHX-KRWDZBQOSA-N	415.518	5.439	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3cc(Cl)c4c(c3)OCCCO4)c2)s1	740011498	OOQYFKFMRSTRQK-UHFFFAOYSA-N	410.926	5.391	30	20	HKED	
COc1ccccc1-c1ccc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc1	741469004	YKLAGBCZDFQOOX-SXGWCWSVSA-N	424.500	5.571	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc(-c2ccccc2)cs1	744036668	GRLXSRDKOKNCBF-FGTMMUONSA-N	413.329	6.097	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	747198508	HZDFJYMGBDNJJX-HNNXBMFYSA-N	416.909	5.102	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)[C@@H](C)C2)cc1C	747971760	SKFPNGYFRVRINX-PMACEKPBSA-N	422.598	5.440	30	20	HKED	
CCCCCOc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OC	748583342	AKZAYUPKWQDNHI-SDQBBNPISA-N	409.482	5.117	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1	749943598	LCSOWTOMUIGYRD-LJQANCHMSA-N	418.415	5.099	30	20	HKED	
Cn1c(-c2ccccc2Cl)nn(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1=S	751932265	OANUVAKHMXPTOG-QUCCMNQESA-N	423.973	5.001	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1	752313092	YMMIORJNBVYYAY-MRXNPFEDSA-N	418.946	5.072	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)nc3Cl)n2)c1	752377056	ZBESQPQAJSPOPJ-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
CNc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)n1	755616214	WSQAMGYWGSSQIQ-CYBMUJFWSA-N	403.294	5.044	30	20	HKED	
Cc1cccnc1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	760185171	YRYNMKQIVXSHSL-XHPSBEMXSA-N	414.317	5.710	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	761673753	OCXHAZRXFKOVNN-QGZVFWFLSA-N	408.260	5.404	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1cccc(C(=O)c2ccccc2)c1	762018888	JEATTXXAJSACHV-OXQOHEQNSA-N	410.498	5.507	30	20	HKED	
N#Cc1ccc([C@H](O)CNC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1	763226685	MZMRTLXDPHOGSQ-PXDATVDWSA-N	415.924	5.148	30	20	HKED	
N#C[C@H](C(=O)COC/C=C\c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	763475831	IZWUXCOTMLARDZ-BQHGXPCASA-N	408.910	5.370	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N(c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1	767095680	DEJBWTOJLUPXRM-QGZVFWFLSA-N	404.526	5.161	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccccc4F)sc32)c1	772983491	KMPCCMFBPRVTLR-LAUBAEHRSA-N	421.541	5.797	30	20	HKED	
CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1cc(Cl)ccc1OC	772987127	STHLQETZFSEYMZ-MJGOQNOKSA-N	402.922	5.279	30	20	HKED	
N#C[C@@H](C(=O)CN1CCC(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1	775824659	UFFPTVMZVMNQFP-SFHVURJKSA-N	409.942	5.006	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(SC(C)(C)C)c3)n2)cc1	779194178	KNKZYGJFVPCPKU-QGZVFWFLSA-N	423.563	5.594	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(F)ccc1Br)c1nc2ccccc2s1	784820982	GHFDNSAVUNQGGU-CYBMUJFWSA-N	403.276	5.007	30	20	HKED	
CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cn(CCCC#N)c3ccccc23)n1	789762764	FIANYAVSKBORTF-IBGZPJMESA-N	423.517	5.217	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC2	790625920	KDCVMSGJSLMRCI-UHFFFAOYSA-N	411.527	5.027	30	20	HKED	
C[C@H](NCc1cc(C#N)ccc1F)c1ccc(Br)cc1C(F)(F)F	790673690	TXLFNEKPBMIFEL-JTQLQIEISA-N	401.201	5.329	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2cc(C(F)(F)F)cnc2Cl)n(-c2ccccc2)c1C	790809286	ZFJWVAJXFKQGAJ-UHFFFAOYSA-N	418.806	5.285	30	20	HKED	
C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(SC(F)(F)F)cc1	791702660	LRKAGFDJHAILDE-DYVFJYSZSA-N	404.413	5.157	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1cnc2ccccc2n1	792099676	FDYKVRYCNVROAN-KRWDZBQOSA-N	420.310	5.081	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc2ccccc2s1	796628594	KSQCZPKTDBYPQI-ZNMIVQPWSA-N	402.397	5.175	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(F)c(Br)c2)cc1OC(F)F	810246990	HYHVGIYGGXHMFL-QHHAFSJGSA-N	401.178	5.094	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12	817618178	WZZLKGXNGNYSLJ-UHFFFAOYSA-N	400.507	5.133	30	20	HKED	
CC(C)c1ccc(C=NOCc2nnc(-c3ccccc3Br)o2)cc1	823487363	NCAKNWLMQKTLRR-UHFFFAOYSA-N	400.276	5.173	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1CC	839407618	XQXBKTUGGCNFAX-UHFFFAOYSA-O	415.582	5.580	30	20	HKED	
Cc1cc(C(=O)CON=Cc2ccccc2OC(F)F)c(C)n1Cc1cccs1	849614202	QNWIREPCMBKQJE-UHFFFAOYSA-N	418.465	5.050	30	20	HKED	
N#Cc1ccc(N2CCC(c3nc(-c4ccc(C(F)(F)F)s4)no3)CC2)c(F)c1	904968289	AHWVOMRERUICSH-UHFFFAOYSA-N	422.407	5.212	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C2SCCCS2)cc1	914519032	YVALDBMOHUGLFL-UHFFFAOYSA-N	410.608	5.725	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1	915086440	KYIIDXAUOICLHJ-JOCHJYFZSA-N	406.938	5.867	30	20	HKED	
CC1CCN(C(=S)SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	915179172	AXMVVIAXUAJNND-NRFANRHFSA-N	423.607	5.031	30	20	HKED	
COc1ccccc1/C=C(/C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1	916089387	DTAKHFOEWUUULN-NBVRZTHBSA-N	421.547	5.255	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	916909759	CHUUUYLXDRWVLV-KRWDZBQOSA-N	405.885	5.051	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	917047227	UIPAAAVCNIQIFN-ZDUSSCGKSA-N	410.804	5.267	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(Oc2ccccc2)c(F)c1	917144387	JQBHHBKHBJGFKH-ZHACJKMWSA-N	402.450	6.033	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccccc3Cl)cc2Cl)cc1	917600434	SIZOGEYZWDPAEG-UHFFFAOYSA-N	414.317	6.466	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(Cl)nc2ccccn12	919893792	PCLBWMFCRIKQAM-UHFFFAOYSA-N	402.841	5.212	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1	920298952	RFGTVTHATHQCSV-UHFFFAOYSA-N	420.856	5.139	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Cl)cc1Cl)c1nc(-c2c(F)cccc2F)cs1	920804448	QUHDDLWSKVDVNO-LBPRGKRZSA-N	423.271	5.814	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl	920879005	XDEKCVBUVRHZLO-UHFFFAOYSA-N	415.232	5.280	30	20	HKED	
Cc1cc(F)c(C(F)(F)F)cc1NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1	1450683932	PNTOVTVEHXQJHK-UHFFFAOYSA-N	422.256	5.271	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1823752384	RNABSYFTYBNNCO-PKTZIBPZSA-N	414.634	5.345	30	20	HKED	
N#Cc1c(NC(=O)CSc2ccc(C(F)(F)F)cn2)sc2c1CCCCC2	21636414	MYFIHBFEJYGFEE-UHFFFAOYSA-N	411.474	5.033	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccc(Cl)cc1	39554430	IYOWFHDXHIHVQU-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)cs2)cc1	45501268	QRRSWMTYRRVTIH-QGZVFWFLSA-N	419.550	5.233	30	20	HKED	
C=C(Br)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1	59925465	FVMWOFBWBCFSPN-UHFFFAOYSA-N	404.308	5.133	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc2cc(Cl)ccc2s1	195664300	QOVCRKYUGFMYJY-CQSZACIVSA-N	406.841	5.360	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1	236898920	QEPDTMIVXSRBEI-LJQANCHMSA-N	407.495	5.294	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCSc2c(F)cccc21	303419236	XVBWICNJHNDFMX-CJNGLKHVSA-N	401.532	5.436	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)ccc1F	303814483	CPEYHMMJTAEGSI-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
Cc1cc(Br)cnc1NC(=O)c1ccccc1Sc1ccccc1C#N	430091254	RLYKVHREBWLOEW-UHFFFAOYSA-N	424.323	5.428	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC[C@H](c1ccccc1)C(F)(F)F	432454837	NYZMYVNUBHMYBC-NJYVYQBISA-N	415.459	5.204	30	20	HKED	
CCN(C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)[C@H](C)c1ccc(C#N)cc1	433854100	MXEWUDFVWWQLSI-JOQGTDRZSA-N	404.476	5.617	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CC[C@@H](CC(F)(F)F)C1	434183677	OQALBGKLJYHWCL-JOYOIKCWSA-N	422.291	5.293	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl	436292641	BOAFFWUAAJILEM-VSDWSMLSSA-N	401.934	5.017	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)Oc1ccccc1F	438065340	IMFOPMUXEXTRQI-MRXNPFEDSA-N	405.429	5.079	30	20	HKED	
N#Cc1ccc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c(OC(F)F)c1	439557634	VBBXHFBJWNMDND-UHFFFAOYSA-N	419.859	5.051	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1	441193439	AGQUMTKRROBFMQ-LJQANCHMSA-N	423.904	5.244	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1	442079928	BHMHZXRXRGWKMS-OAHLLOKOSA-N	419.481	5.128	30	20	HKED	
C[C@H](SCc1noc(Cc2ccc(Br)cc2)n1)c1cccc(C#N)c1	443135564	AXNTVWPEEFEHLO-ZDUSSCGKSA-N	414.328	5.289	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1	445668107	KNQBCADQKUGKLL-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
C=CCn1c(S[C@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccc(F)cc1	446053641	MSHYXJGHSBNQCW-CQSZACIVSA-N	407.474	5.174	30	20	HKED	
N#C[C@@H]1N(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CCC[C@@]12CCCCO2	448278974	QJSBSFNKVLJSQS-ICSRJNTNSA-N	422.381	5.544	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	448458875	JWXNJCBRQIEQFH-AIINSRMQSA-N	423.372	5.536	30	20	HKED	
CC(C)(CCC#N)CNCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	462362797	CSBIYAPBOQQGSX-UHFFFAOYSA-N	406.961	5.655	30	20	HKED	
C=CCn1c(SC[C@@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1cccs1	462417647	WBLVXOHMUBWURW-GFCCVEGCSA-N	405.495	5.082	30	20	HKED	
N#Cc1c[nH]c2ccccc2c1=NCc1ccccc1-c1ccc(Cn2ccnc2)cc1	462820643	VUWBKKXIIBABCV-UHFFFAOYSA-N	415.500	5.052	30	20	HKED	
N#Cc1cccc(C2(C(=O)N[C@@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)c1	464219380	BQONPLPESFNFMJ-LJQANCHMSA-N	417.509	5.046	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)c3cc(Cl)ccc3C#N)c3c(C)noc3n2)cc1	464262533	NULADUNPPYEJQC-UHFFFAOYSA-N	416.868	5.308	30	20	HKED	
COc1ccccc1[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCCC1	469014478	LXSMGANJGSMHDA-AREMUKBSSA-N	417.553	5.622	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2ncccc2Cl)CC1	469942906	DZZRFCMSBLCVRV-UHFFFAOYSA-N	401.897	5.293	30	20	HKED	
Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470559695	FOOBIALPACIOCK-UHFFFAOYSA-N	420.513	5.051	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Cl)c1	471824022	PPLWBSSMSJKUTP-AWEZNQCLSA-N	404.919	5.012	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)cc1	476110013	NFCWBFBQLILEOQ-LJQANCHMSA-N	412.533	5.997	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](c1cccs1)C(C)(C)C	476363065	HBJSMDXXLVPUCB-FOIQADDNSA-N	401.601	5.315	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	480801127	FTVVLWDBRBCVQX-KDOFPFPSSA-N	403.404	5.545	30	20	HKED	
CC(C)c1ccccc1N(C(=O)c1cnn(C)c1C#N)c1nc2ccccc2s1	483065293	AFMLESDUCJRPAV-UHFFFAOYSA-N	401.495	5.003	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	483734128	WBAIMHSPEYCRMT-ZDUSSCGKSA-N	403.891	5.021	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1	484566820	HSXLOEGJMWLSLI-DEOSSOPVSA-N	412.512	5.508	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN(CCC(F)(F)F)Cc2ccccc2)c1C	484800884	XDFROTNEYFUVHP-UHFFFAOYSA-N	417.475	5.005	30	20	HKED	
C=CC[C@@H](C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccccc1	488618923	JECLLQHBMSHGSR-WMZHIEFXSA-N	416.521	5.206	30	20	HKED	
C=CC[C@H](C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)c1ccccc1	488633985	VGIWXFNSVDXQCC-FQEVSTJZSA-N	404.897	5.891	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	494577553	DQJROBQURBPQHD-CABZTGNLSA-N	422.316	5.312	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F	494680183	RZOZEXYFCHPURD-KSFYIVLOSA-N	406.432	5.028	30	20	HKED	
CCN(C(=O)COc1ccccc1C#N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	496466227	DGTJVVHIMCPJTM-SANMLTNESA-N	413.521	5.094	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	499383026	VAEUBVXPPFBZNF-NFBKMPQASA-N	412.574	5.084	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2	500811282	XNUMIKSHPHWKAV-AWEZNQCLSA-N	419.356	5.070	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC(c1ccccc1C)c1ccccc1C	501959405	MTXWRTTZOQEMAG-UHFFFAOYSA-N	418.537	5.266	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3c(ccn3CC(C)C)c2)cc1	502491649	KYOPQHDEOJSXRQ-UHFFFAOYSA-N	405.502	5.249	30	20	HKED	
Cc1ccccc1N(C(=O)[C@@H](C)Oc1ccccc1C#N)c1nc2ccccc2s1	502774907	SCTLTNTVXQORPC-QGZVFWFLSA-N	413.502	5.609	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	503011957	ADDQBRJYPOKARS-IQGLISFBSA-N	422.525	5.335	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F	504795208	TXLCPRRMDYIAAZ-IBGZPJMESA-N	423.875	5.465	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(OCc3cscn3)c2)cc1	505818919	DISHENFDWXPQJR-OAQYLSRUSA-N	405.523	5.014	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)ccc1OCc1cccnc1	506321562	QRQSAFGJJOBNCA-JOCHJYFZSA-N	405.885	5.067	30	20	HKED	
CC(C)N(Cc1ccco1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	509590206	CGDINFWQTZXXFH-NRFANRHFSA-N	407.901	6.031	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510008929	ASSZFLNYVRPGMJ-AOMKIAJQSA-N	421.903	6.359	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3c[nH]c4cc(F)ccc34)c2)cc1	512232404	AKWVITHFFXAMDW-UHFFFAOYSA-N	413.452	5.133	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC2)c1	512727165	CSXDACQKDSOAMQ-UHFFFAOYSA-N	417.396	5.068	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F	513989292	JILHECKVNYEYMQ-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
CC(=O)c1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518151718	VLRULZCSDIZNPF-UHFFFAOYSA-N	406.429	5.095	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2cnn(C(C)C)c2n1	518232790	WEYQJTCDASHUEA-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2	518683630	YRQQGLKNWILFFB-LPHOPBHVSA-N	423.538	5.079	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2csc(Br)c2)c1	518775983	OXXTUPMJTFOGCE-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCCOc1cccc(C#N)c1	521093048	QQKMSZUHTXSAHG-HNNXBMFYSA-N	405.325	5.634	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1	521102076	HRAZUICTARUVGM-HOTGVXAUSA-N	404.297	5.043	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	521366486	MFGOVYNKUBWSLC-OAQYLSRUSA-N	403.507	5.953	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1	521607894	WIEXWVSEBZTZJI-QFIPXVFZSA-N	406.482	5.568	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	521952056	AJWXLMHCVWPCHK-DLBZAZTESA-N	405.350	5.018	30	20	HKED	
COc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	522086142	PBEJLXHVYMPOEC-UHFFFAOYSA-N	415.493	5.610	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nnc(C(F)F)s2)c1	522633956	FXPIPGJXZHTOLF-UHFFFAOYSA-N	406.801	5.045	30	20	HKED	
N#Cc1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21	524466566	ONHGZNWYYWZYEL-UHFFFAOYSA-N	421.287	5.520	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)cs1	530990320	DKDASSPFLRBYQX-GMAHTHKFSA-N	416.550	5.100	30	20	HKED	
COc1cc(CN[C@H](CCC#N)c2ccccc2)ccc1OCc1c(C)noc1C	533496455	CLHCPCZYJHJUHL-JOCHJYFZSA-N	405.498	5.014	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C1CC1	534073942	YNIPIDZALPNMCA-MRXNPFEDSA-N	400.482	5.648	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CN[C@@H](C)c1ccc(C#N)c(F)c1	538508129	YATQQPLLOOOWCU-KRWDZBQOSA-N	405.473	5.524	30	20	HKED	
N#Cc1cc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)ccc1F	539957491	DHPZPIIPRHMJLJ-WZUFQYTHSA-N	406.360	5.341	30	20	HKED	
Fc1ccc([C@H](CC(F)(F)F)NCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1	540380693	OLJXRYRCFFTSGH-AWEZNQCLSA-N	419.300	5.076	30	20	HKED	
Cc1ccccc1NC(=O)Cc1nc(CSc2cccc(Cl)c2C#N)cs1	541174163	TWFJEPUERCRMLT-UHFFFAOYSA-N	413.955	5.450	30	20	HKED	
C[C@@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	541995227	KGCCCTHURAYFPX-LJQANCHMSA-N	406.489	5.658	30	20	HKED	
Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2)cn1	543865057	PNWFOJNJZUYRIO-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
C[C@H](NC(=O)N1CCC(OC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543944898	ZDDQBSUWSSSQDN-SFHVURJKSA-N	405.542	5.275	30	20	HKED	
N#CCCC[C@@H](NCc1ncc(-c2ccc(Br)cc2)[nH]1)c1ccccc1	556907203	LTMHQSDIWXMFJJ-LJQANCHMSA-N	409.331	5.364	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1	556967709	ANSJMUVXPRDOPS-UHFFFAOYSA-N	424.544	5.446	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc(C(F)(F)F)cc1	566393812	KOHCXAYPSOTRSK-KDOFPFPSSA-N	404.432	5.394	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2cccc(F)c2[C@H]1C	568802834	GZIXDXANARMSDE-MRXNPFEDSA-N	424.545	5.028	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2	570250595	SDWWRONIEUVIHC-VGOFRKELSA-N	421.566	5.297	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC3(CCOCC3)CC2)c1	585751551	ATSAGGPDWQJKFT-UHFFFAOYSA-N	410.901	5.037	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)CCc2ccccc2)cc1	589725667	UZLTXJKGJZYFAW-UHFFFAOYSA-N	405.542	5.034	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc4ccccc34)s2)cc1	603750139	HBOLHPGZGMGVBE-UHFFFAOYSA-N	422.560	5.098	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)cs1	605362974	BOGOPRAFJCVTED-SFHVURJKSA-N	418.547	5.419	30	20	HKED	
Cc1sc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc1-c1ccccc1	609054373	GPDGEMSPNRJMEN-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(F)cc1F	609078532	WSQLKKXMCMVJPU-UHFFFAOYSA-N	421.447	5.388	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1	609298005	SKWZOLJKPRHVOA-UHFFFAOYSA-N	413.408	5.761	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1cccc(Br)c1	609386962	ATGFRUQPNAWBKI-KBPBESRZSA-N	418.360	5.140	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12	609430431	DMIBRVUWQQTTHW-MRXNPFEDSA-N	413.506	5.043	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1	609436616	BSMJONSVQISOSL-UONOGXRCSA-N	402.589	5.718	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1	609438532	JRTSXPWXYAHGRN-KKLQWCBXSA-N	423.582	5.712	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)c(C#N)c1C	609496377	QMCYBPPNFJASDN-UHFFFAOYSA-N	424.909	5.678	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1	609523249	GUEYKZVVMAVMNZ-YCPHGPKFSA-N	413.226	5.497	30	20	HKED	
CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)c1cccnc1	609683576	ZYEWXMMEXGQWTL-IBGZPJMESA-N	414.509	5.342	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1	609755177	HHFXXBIAIUBDCJ-UHFFFAOYSA-N	419.462	5.131	30	20	HKED	
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610104895	DTQXTNBMYRYJTE-NRFANRHFSA-N	423.944	5.139	30	20	HKED	
COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	610344831	IWDQSEJMGWFUBT-KRWDZBQOSA-N	406.913	5.650	30	20	HKED	
Cc1nc(-c2cccc(-c3noc([C@H]4CCCN4c4ccc(C#N)cc4)n3)c2)cs1	615133255	UJCWROCQNMRORA-OAQYLSRUSA-N	413.506	5.382	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccccc1	644192945	QOZNODOTIUYOPP-UHFFFAOYSA-N	416.909	5.045	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnc(-c2ccccc2Cl)s1	672239015	PZARGQWGWMCOGR-UHFFFAOYSA-N	414.962	5.459	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc(C(F)(F)F)cc1	679705675	GSKYONFLJGUMDX-HZPDHXFCSA-N	406.395	5.126	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1Cl	727057970	AFJXGOFYDGOIMD-UHFFFAOYSA-N	417.893	5.116	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1OC	727804845	NUDNSWKPLAEPDB-OWBHPGMISA-N	424.497	5.259	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ccccc1Cl	728063172	YIIQRMDHOKOTIQ-KRWDZBQOSA-N	419.912	5.538	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	728118322	URZNMTBTCZJBEU-IBGZPJMESA-N	417.431	5.733	30	20	HKED	
C#Cc1cccc(N(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C(C)C)c1	728247604	MOGZOEIBCDZMMV-NFAVZRQZSA-N	400.360	5.143	30	20	HKED	
CC(=O)N(c1nc(/C=C2\Cc3c(C)cccc3C2=O)cs1)c1ccc(F)cc1F	729148762	AMHIFUXVMJGDQG-RIYZIHGNSA-N	410.445	5.237	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3cccc4ccccc34)n2)cc1	730922997	SFPHZHOPPMEXHL-YTFSRNRJSA-N	424.525	5.952	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)cc1	731192497	FQXHQTRABJNLAG-FQEVSTJZSA-N	415.537	5.673	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)cc1	731978495	KUVKSWMLAZZTHD-UHFFFAOYSA-N	408.910	5.575	30	20	HKED	
COc1ccccc1CC(C)(C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	733052679	OTCDHZLZZRKRTL-IBGZPJMESA-N	404.535	5.572	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	733632173	WCIJTOMJKXOLDZ-UHFFFAOYSA-N	402.410	5.173	30	20	HKED	
N#CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)c1	735084058	CBHGDHZZOVLXMS-OAQYLSRUSA-N	424.287	5.667	30	20	HKED	
Cc1cccc([C@@H]2CCCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)c1	735494947	LFPGYWFLYAXSNA-GGAORHGYSA-N	410.521	5.149	30	20	HKED	
CC(C)c1ccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	739160590	ULDHCZKWCMIJDJ-JTSKRJEESA-N	413.546	6.175	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	739181831	XUNBWDVSPJIJOD-IAQYHMDHSA-N	406.404	5.824	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCSc4ccccc43)c2)s1	740027340	NUBMOGXTVLSASQ-LJQANCHMSA-N	405.548	5.323	30	20	HKED	
C=CCOc1c(Br)cc(/C=C2\CCc3cc(C#N)ccc3C2=O)cc1OC	742437223	SZQXIYNHHRRNGD-LICLKQGHSA-N	424.294	5.107	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(F)c(Br)c2)cc1	744033975	XDRPYMSLXBAJLV-MLGOLLRUSA-N	417.278	5.063	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F	744380427	QUYOUPKAIMRQKN-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccccc2Cl)cc1	747638223	XKYXAONDMLZZOD-NRFANRHFSA-N	404.897	5.793	30	20	HKED	
C#CC[C@@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1	757614051	GVCWKRNGBUNPMX-HSZRJFAPSA-N	422.484	5.108	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(C#N)s4)c23)cc1	762447631	QZVSQPKVUYWDRK-UHFFFAOYSA-N	405.508	5.136	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1	762534582	VUVWZWVUWLCVGZ-UONOGXRCSA-N	413.593	5.810	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)cc1	766383127	UHNQXZDWWYUGGF-GCKMJXCFSA-N	414.933	5.339	30	20	HKED	
CC#CCCCC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	767665583	QKRZCTRJJGRTST-UHFFFAOYSA-N	418.946	5.335	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1ccc2ccccc2n1	778288437	HRIINTRAZDSVEY-OAQYLSRUSA-N	416.484	5.383	30	20	HKED	
Cc1sc(NC(=O)c2ccccc2SCC#N)nc1-c1cccc2ccccc12	779349917	ZHNQWBLPVOFFMN-UHFFFAOYSA-N	415.543	6.140	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1	781092559	ZZKPIVSQVKQYFF-RBTNQOKQSA-N	406.592	5.178	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc3c(F)cccc3s2)c1C#N	782228818	YNNMJBZBYAPEEM-UHFFFAOYSA-N	408.483	5.072	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2csc(-c3ccc(Cl)cc3)n2)c2ncc[nH]2)c1	787169968	RDVOBSKGDHOWOX-XDHOZWIPSA-N	421.909	5.619	30	20	HKED	
O=C1/C(=C\c2ccc(SCc3ccccc3)cc2)CCc2c1cnn2-c1ncccn1	792900581	PATPDJOBHRZGLW-HKWRFOASSA-N	424.529	5.167	30	20	HKED	
O=C1COc2ccc(/C=C(/C(=O)c3ccccc3)c3nc4ccccc4s3)cc2N1	794932750	YPJQHVPTPKPPOO-ATVHPVEESA-N	412.470	5.051	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1ccncn1)c1csc(-c2c(Cl)cccc2Cl)n1	797316498	ZSAUSBIKHHUDCM-LLVKDONJSA-N	417.321	5.061	30	20	HKED	
C[C@@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	801700048	FJQQZIIQFCIMNP-HQJQHLMTSA-N	400.319	5.069	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1	809364626	WXFOPDPJZKEYTA-UHFFFAOYSA-N	414.377	5.006	30	20	HKED	
Cc1cc(C(C)(C)NCc2ccc(N(C)CCC#N)cc2)ccc1Br	810181110	DABVUVVUADGBQZ-UHFFFAOYSA-N	400.364	5.132	30	20	HKED	
C#C[C@H](NC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C)c1ccc(F)cc1	812939158	UUQGFWYBGXNXEF-JXFKEZNVSA-N	407.514	5.335	30	20	HKED	
N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1	915101896	JTJIOYNDDYZFSR-JOCHJYFZSA-N	424.525	5.793	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSCc1cccc(Cl)c1	916902820	HYVCJIPSZZTPEJ-LJQANCHMSA-N	414.958	5.046	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)c4c(c3)OCCO4)n2)cc1	916973537	ZZHCLUDGWGRQNV-HNNXBMFYSA-N	410.882	5.033	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccnc3S)cc2)cc1	917119626	PJHFQABTEOJUTQ-QFIPXVFZSA-N	410.502	5.069	30	20	HKED	
C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OC	917644853	NRYIKHPTFXOSAZ-CPOQMQJTSA-N	411.548	5.222	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)s2)n[nH]1	1816351763	LQICGNBPJOFQSA-KRWDZBQOSA-N	414.575	5.078	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC)cc2)n[nH]1	1820606366	INKIDJHXNCOFDI-IFMALSPDSA-N	420.557	5.046	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2)c1	10832027	NBYLLFXFWTVBOB-UHFFFAOYSA-O	417.888	5.265	30	20	HKED	
N#Cc1ccc(OCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1	18091536	JPKJCUFDUMVUPF-UHFFFAOYSA-N	410.307	5.068	30	20	HKED	
CC1CCN(Cc2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)CC1	21135712	SKWQVZBJJKAZHD-UHFFFAOYSA-N	416.550	5.166	30	20	HKED	
C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12	21861036	SOSRFPQCURYECC-INIZCTEOSA-N	407.514	5.117	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1Cl	79357229	TYZFLUJZMGZWHP-VWNXMTODSA-N	416.908	5.638	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1	116101350	KREQARPYTHTGMK-UHFFFAOYSA-N	400.438	5.207	30	20	HKED	
C[C@H]1C[C@H](C)CN(CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C1	117122022	FMVZSTIOMIQNCK-PMACEKPBSA-N	421.610	5.197	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(Sc3ccc(C#N)nn3)n2C2CCCC2)cc1	301949310	YYPMELDPPGAWPB-UHFFFAOYSA-N	404.543	5.171	30	20	HKED	
Cc1ccc(CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)s1	303378197	LXWBPCGPOKIQRE-QGZVFWFLSA-N	401.601	5.300	30	20	HKED	
C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc(C#N)cc1	303728845	UPALWTSOQODIBH-MRXNPFEDSA-N	402.548	5.780	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	429805448	VPTIQFOAYQPTBM-UHFFFAOYSA-N	417.465	5.144	30	20	HKED	
COCc1nc2cc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)ccc2o1	430794772	RFIIGZCWMFNHMJ-UHFFFAOYSA-N	413.433	5.085	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c(C(F)(F)F)c2)cc1Cl	432006864	MJDFLHFQCFEKCW-INIZCTEOSA-N	403.791	5.595	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)cc1	433267675	HFAMIVRZCBLMJW-HSZRJFAPSA-N	423.532	5.501	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2C)c1	435365898	WFBVEUATLZWIJP-QGZVFWFLSA-N	404.539	5.444	30	20	HKED	
C=CCCc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1	436482544	AKMOFJJUZGIDSB-XMMPIXPASA-N	414.505	5.011	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2cc(Cl)cc(Cl)c2C1	438665905	FLYPIZIQJCHYFR-ZDUSSCGKSA-N	420.365	5.835	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1	438689221	VFPQAQFORGMINU-UHFFFAOYSA-N	412.493	5.583	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)cs1	438856701	LNWYOSMNGJOACM-KKSFZXQISA-N	404.539	5.524	30	20	HKED	
N#Cc1ccnc(Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)c1Cl	439096054	FMEJVHQVGQGZPT-UHFFFAOYSA-N	421.888	5.204	30	20	HKED	
COCc1nc(CNC2CCC(C#N)(c3ccccc3)CC2)c(-c2ccccc2)s1	442859706	QVDNLNQWPPMYIC-UHFFFAOYSA-N	417.578	5.450	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1C(F)(F)F	443887843	XKZJDEODLIRHNQ-UHFFFAOYSA-N	419.790	5.457	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](OCCC)CC1	460808786	YTCGGFUOICCLAR-HXUWFJFHSA-N	414.619	5.240	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(N4CCC[C@H](C)C4)c3)n2)cc1	464191951	KOLKCEOJSVPAOH-FXAWDEMLSA-N	416.550	5.240	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1c(F)cccc1OC(F)F	467707333	XQZZNUVLTFCORS-GFCCVEGCSA-N	409.433	5.001	30	20	HKED	
CCCC1(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCC1	468566153	QVCUESJYDRYEEZ-HXUWFJFHSA-N	423.944	5.021	30	20	HKED	
N#C[C@H](C(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nc2cc(Cl)ccc2s1	473490430	SGBNXNOVFFFDNX-LLVKDONJSA-N	420.803	5.106	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1	475547452	LPEXAVZNKPZMLC-FQEVSTJZSA-N	405.567	6.517	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1	475567312	KVSFGCOPYHGYSM-DEOSSOPVSA-N	421.585	5.042	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C	475580657	ZRKKZJXSCNFJAY-HSZRJFAPSA-N	418.541	5.192	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1	476336688	WNCLGPOIZXTGDW-KRWDZBQOSA-N	403.551	5.753	30	20	HKED	
CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1cc(F)cc(Br)c1	476814040	CAODATQTUAFHKK-BEFAXECRSA-N	403.295	5.243	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)cc1	477785918	DSCNDJVUZHYPFE-HXUWFJFHSA-N	421.378	5.449	30	20	HKED	
CC(C)[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(C2CC2)no1	479685894	MPQYKEIEHSKAEE-FQEVSTJZSA-N	418.522	5.097	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1nc(C(C)(C)C)cs1	481329873	BGECGPOWDRGWGX-UHFFFAOYSA-N	400.573	5.089	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccn1	481369022	GOBOHHQHTZLDQT-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1cccc(OC)c1	481393758	ZQYXYFCUSFCRDB-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1c(F)ccc(F)c1F	484015857	LPJWHVSKTBYGAB-UHFFFAOYSA-N	417.227	5.316	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1cc(C3CC3)nc3ccc(Cl)cc13)CCCC2	484149131	VATVYKJZEPKNBW-UHFFFAOYSA-N	402.885	5.163	30	20	HKED	
C=CCSc1ccccc1C(=O)NCC1(c2ccccc2Cl)CCOCC1	486203274	LOHYTWHUKOPGPV-UHFFFAOYSA-N	401.959	5.096	30	20	HKED	
N#CCCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2	486557947	IQKUXNFLYLDFGI-BUMILGAPSA-N	404.476	5.434	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)[nH]c1-c1ccccc1	488288848	FFWVJEWHDOEEMG-HNNXBMFYSA-N	422.579	5.510	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1)c1ccccc1	488691312	YZVWDCVLBSDERS-JOCHJYFZSA-N	402.494	5.358	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1coc(-c2cccs2)n1	489650110	XVRLFAIBHQTZKB-UHFFFAOYSA-N	424.551	5.360	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)Cc1ccsc1	495232404	XQSCVUWATHTYFC-SJORKVTESA-N	401.601	5.034	30	20	HKED	
C=C(C)COc1cc(CN[C@@H]2CCOc3c(Br)cccc32)ccc1OC	500401471	XNDRZHICMKMVPT-GOSISDBHSA-N	418.331	5.026	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCC2(c3ccc(Cl)cc3)CCOCC2)CC1	507621014	MJVRFFYEXDISOP-UHFFFAOYSA-N	408.973	5.382	30	20	HKED	
CCOc1ccc(CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	508398323	AAAWOSWYQPXPDQ-UHFFFAOYSA-N	400.478	5.107	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2c(F)cc(F)cc2F)cc1	510975816	SEMAWDOYLFJUQA-UHFFFAOYSA-N	412.436	5.198	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3Cc3ccccc3)c2)c1	511476745	NSDOXZOQGJKOMZ-DEOSSOPVSA-N	424.504	5.050	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SC(C)C)cc3)n2)cc1	512498306	HLFIIAIPOFFNNT-IBGZPJMESA-N	408.548	5.809	30	20	HKED	
CC[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(OC)c(OC)c1	512914334	ZIJXIRXCXQDSKY-XMMPIXPASA-N	416.521	5.395	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](C)c1c(C)noc1C	513776083	ZQQAMKWEJAJHBY-MRXNPFEDSA-N	405.473	5.338	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	517121407	BZELOEYQSNIPGK-UHFFFAOYSA-N	413.477	5.579	30	20	HKED	
CO[C@](C)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	517345798	JHBIMARRJGSBGD-QPPBQGQZSA-N	404.897	5.496	30	20	HKED	
Cn1cc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccc21	518151406	RKCIHOYGWLYJDU-UHFFFAOYSA-N	417.456	5.384	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(O)cc2)cc1Cl	519992637	BGEOEAPZELVWQD-OAQYLSRUSA-N	405.885	5.065	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	520327851	ZPSSMEJTINGLON-UHFFFAOYSA-N	419.484	6.168	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)cc1	520714175	HQSIFSJSKUUHSH-UHFFFAOYSA-N	408.379	5.361	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)c1ccc(Cl)cc1	521260376	CJXIHQNNABBBKF-HNNXBMFYSA-N	401.963	5.691	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C(F)(F)F)c1	521261633	UKTYTESZUCVMTA-ZDUSSCGKSA-N	423.460	5.287	30	20	HKED	
N#Cc1c(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)sc2c1CCC2	521675977	BSDOIBTUOZYBTJ-UHFFFAOYSA-N	421.469	5.308	30	20	HKED	
Cc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c3c2CCC3)cc1	521797654	RSAYWYYQPVAPGH-QGZVFWFLSA-N	416.550	5.316	30	20	HKED	
CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	521951569	IULGMTNSGCDNCM-UHFFFAOYSA-N	413.477	5.454	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(OCc4ccncc4)cc3)c2)cc1	523151036	LMNPEILUJDQPRI-UHFFFAOYSA-N	420.472	5.528	30	20	HKED	
Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)c(Br)c1	523229497	NVYAMIWYJNLNKK-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
Cc1csc(CCCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1	524167374	ZWPIWBBVSFEEDD-UHFFFAOYSA-N	406.511	5.260	30	20	HKED	
CC(C)[C@@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	524484066	FYCCPKKUVPCJPO-JOCHJYFZSA-N	405.542	5.622	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc(C3CC3)nc21	524572660	LMJOYHXPLPVXDS-JOCHJYFZSA-N	415.541	5.182	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	525538583	LUOBANIELSENJJ-PMACEKPBSA-N	404.416	5.679	30	20	HKED	
C[C@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1F	530492897	OAOXLVDFSPHBBS-OYHNWAKOSA-N	424.317	5.489	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Cc2ccccc2F)CC1	532032306	OEXSQGWJOYPDHT-QGZVFWFLSA-N	411.546	5.564	30	20	HKED	
CCN(C(C)=O)c1nc(CN(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cs1	532716301	IDITTZGOQDCFDC-UHFFFAOYSA-N	422.529	5.042	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(C[C@H](C)C#N)C3CC3)c3cnn(C(C)C)c3n2)c(C)s1	532819889	ROTOYMQQMRIEIV-CQSZACIVSA-N	421.570	5.122	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1Cl	535647750	OPXMIESRJBVJCQ-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CCN(C(=O)c1ccc(COc2ccccc2OC)o1)c1ccc(C#N)c(Cl)c1	540272704	TWAYMQKMJPEDKP-UHFFFAOYSA-N	410.857	5.059	30	20	HKED	
Fc1ccc(-c2nc(CN[C@H](c3cccc(F)c3F)C(F)(F)F)co2)cc1F	541332362	QCSUGRGJBBGLPO-MRXNPFEDSA-N	404.285	5.291	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCCc1cccc(F)c1F	544083018	XDQZEVUZZNNNRJ-CQSZACIVSA-N	406.523	5.131	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1	554932951	PWZGIZNPYXMKTK-LJQANCHMSA-N	424.932	5.143	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H](Cc1ccccc1)c1ccccc1	557586316	CBOHBCNBPQOFJJ-QHCPKHFHSA-N	403.522	5.093	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1OCCc2sccc21	558078641	LYKRCPYCPYOHKW-QMHKHESXSA-N	418.518	5.039	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc3c(c2)CCCC3=O)cc1	559107674	QGFRPRYXIHGHLL-UHFFFAOYSA-N	412.464	5.059	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	561734507	SPVOROJDOZDBOM-PMERELPUSA-N	424.610	5.736	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)N(CCC#N)c2ccc(F)cc2)c1	565734281	VTXRMALVHPJQAV-UHFFFAOYSA-N	401.485	5.018	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1	568550327	HBVCBGZVIHVBPG-UHFFFAOYSA-N	420.944	5.312	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2cc(C#N)ccc2Cl)c(C(F)(F)F)c1	573359659	YLAABINFTUBWSZ-LLVKDONJSA-N	412.864	6.373	30	20	HKED	
C=CCN(C(=O)c1sccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	588817548	JRZINEJMXRYRSB-UHFFFAOYSA-N	405.888	5.266	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1	591126499	GZGYLHMMVOZMAW-UHFFFAOYSA-N	423.299	5.368	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(-c4cccnc4)on3)c2C#N)C1	603730852	RPKNVUOTNFSTSB-AWEZNQCLSA-N	406.511	5.073	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cn2)cc1	604241754	LQJSRSOCTRETLW-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1	608994190	GWHAZJCNADZTPN-FQEVSTJZSA-N	415.459	6.266	30	20	HKED	
CSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609062780	GISALJWJLOEEQG-UHFFFAOYSA-N	408.910	5.765	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3coc(-c4cccs4)n3)c2)cc1	609208799	GIWVFSVORJWERQ-UHFFFAOYSA-N	416.462	5.389	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)N(CCOC)Cc1ccc(C#N)cc1	609209445	DZGBGKMVYHWRRC-UHFFFAOYSA-N	403.935	5.004	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1	609296923	IGHOCOUMMWPTDO-UHFFFAOYSA-N	416.330	5.641	30	20	HKED	
CC(C)(C)Oc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	609657506	DNINGCNAWQQSMY-UHFFFAOYSA-N	400.478	5.567	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1	609723317	DTFHSSLINNLAMF-UHFFFAOYSA-N	420.852	5.418	30	20	HKED	
COc1cccc(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610224126	CZYUSAVDMQFPHX-KRWDZBQOSA-N	411.288	5.910	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(C#N)cc1Cl	611103411	MHCAVLRTUCSMKY-CYBMUJFWSA-N	401.944	5.337	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)N(c1nccs1)C1CCCCC1	611103452	XADHCERLMCDMPL-ZDUSSCGKSA-N	405.976	5.515	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(-c2csc(C)n2)s1	612208213	XAWHTVATBBXEEN-UHFFFAOYSA-N	424.016	5.793	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)c1cccc(NC(=O)c2ccco2)c1	613377910	QGZDYJYUXXIAFG-UHFFFAOYSA-N	412.470	5.246	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1cccc(C)c1	617940550	JRXZXGXDOQLFET-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc(-c2c(F)cccc2F)cs1	620304485	DJCWHJZVHRGIBA-CYBMUJFWSA-N	423.469	5.702	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(F)(F)CC1	670223026	BOLNLQAMNCTGEO-KRWDZBQOSA-N	412.484	5.383	30	20	HKED	
C[C@@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674447336	QAFGKFFRCRWBNQ-TVYUQYBPSA-N	421.303	5.398	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)c1	726477714	ZMELDUPTNUGYKN-UHFFFAOYSA-N	408.567	6.143	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=S)Nc1ccc(C#N)c(Cl)c1	726484032	AROBBZFUQQAJFZ-UHFFFAOYSA-N	422.779	5.583	30	20	HKED	
CO[C@H](C)c1cccc(N=Cc2cc(Br)cc(Br)c2O)c1	726891719	QGFMEIXSFURXAH-SNVBAGLBSA-N	413.109	5.375	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(OCC(F)(F)F)cc1	727262410	PEFSUKQKUGNBPM-UHFFFAOYSA-N	408.811	5.221	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1	730690899	ZWWHDGJLEBTAFM-OPAMFIHVSA-N	420.827	5.617	30	20	HKED	
COc1cc(C2(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)CCCC2)ccc1C	731138436	QAASLSOXZFGHCK-QGZVFWFLSA-N	408.498	5.441	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1COc1cccc(C=O)c1	731604984	TUARBWXLHHMVIC-UHFFFAOYSA-N	412.489	5.002	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C\c2cccc(OC3CCCC3)c2)c1	733775455	VWEUEUDJDURNTK-DZFTYQQFSA-N	404.510	5.019	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(OC(F)F)c(Cl)c1	735624345	FFZYVGOMBBESDY-UHFFFAOYSA-N	409.889	5.422	30	20	HKED	
COc1ccccc1-c1ccc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)O)c2)cc1	741467042	DRYBSNTWOPWKEA-KSVUCXBSSA-N	402.446	5.110	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)ccc1OC	741851599	AZYVEXHICPMVNQ-UEICXMAYSA-N	415.493	5.134	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1	745820183	IBSIZGNMPHHDRK-QHCPKHFHSA-N	423.532	5.551	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1SC	747615405	WXQKBMZWMFQPMA-YFHOEESVSA-N	412.511	5.212	30	20	HKED	
COc1cc(C=NOCc2coc(-c3ccc(Cl)cc3)n2)ccc1OC(F)F	749782371	MZWYLNOLWZFCLS-UHFFFAOYSA-N	408.788	5.156	30	20	HKED	
COc1cc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)ccc1OCC#N	750915538	GZCCJGYBIKZAPC-GDNBJRDFSA-N	401.434	5.125	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(COc2ccccc2)c1	752649195	MOEUQHMUWAWZGH-RPBOFIJWSA-N	411.505	5.569	30	20	HKED	
C[C@@](O)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	754837114	NGNLVODIZNOXGA-GMAHTHKFSA-N	424.422	5.207	30	20	HKED	
N#Cc1cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)ccc1Cl	754908400	MHRSKKGHSYFBRB-UHFFFAOYSA-N	420.877	5.198	30	20	HKED	
COc1cccc(-c2nc(C)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)[nH]2)c1	755511801	WQELHKSXMBFMHQ-HSZRJFAPSA-N	422.488	5.302	30	20	HKED	
FC(F)(F)c1csc(NN=Cc2sc(Oc3ccccc3)nc2Cl)n1	755905109	TYBPHTSFCJWEMB-UHFFFAOYSA-N	404.826	5.510	30	20	HKED	
C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Nc1ccc(F)cc1OCC#N	761664543	MEKZOQIHANXRBW-LLVKDONJSA-N	408.260	5.186	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)CCO2)c1	761844808	JLCBKOWYGBTOLF-QHCPKHFHSA-N	419.431	5.109	30	20	HKED	
CC[C@H](C(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(C)noc1C	764901838	DQRRVRBQROQIMP-QMMMGPOBSA-N	413.289	5.104	30	20	HKED	
C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(N2CCOCC2)c(F)c1	774475504	HCHWOEIGORRRFF-IBGZPJMESA-N	415.512	5.052	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c(Cl)c([N+](=O)[O-])c1	777747115	PPORHPLYPDIFBC-UHFFFAOYSA-N	404.131	5.044	30	20	HKED	
COCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(C)o1	778257563	VMGWVKKXGDLBDR-FGZHOGPDSA-N	403.482	5.143	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	779595911	PURXQAASYVHBOU-UHFFFAOYSA-N	415.468	5.571	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1	780170179	XYBUCOVASVOWHF-QGZVFWFLSA-N	409.445	5.552	30	20	HKED	
C#CCC1(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CCCCC1	788233266	SHYYRJIKGJKPOM-UHFFFAOYSA-N	408.369	5.475	30	20	HKED	
C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1	791749516	VSUIIFFCOUOCJK-DVECYGJZSA-N	410.473	5.124	30	20	HKED	
N#C[C@H](C(=O)CSc1cccc2cccc(Cl)c12)c1cnc2ccccc2n1	792102528	YEYRLCJHQYSJRI-HNNXBMFYSA-N	403.894	5.405	30	20	HKED	
Cc1cccc(Cc2cnc(NC(=O)c3ccccc3SCC#N)s2)c1Cl	792802643	IVAKWNJWRVZNGB-UHFFFAOYSA-N	413.955	5.564	30	20	HKED	
CCCCOc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3OC)nc2)cc1OC	792873857	UVXRLQJLLWBGCQ-BENRWUELSA-N	418.493	5.236	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2cc(Cl)ccc2OC(F)F)cn1	792887177	YWRUZGIZXNMNOZ-VURMDHGXSA-N	416.811	5.303	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C\c2csc(-c3ccc(F)cc3)n2)C(=O)c2ccccc21	802708823	WTUXNISBYIZEDQ-RNTFSAEZSA-N	407.466	5.266	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccc2c(c1)CCCC2	802710463	YHQXFLIFNSPZCQ-UHFFFAOYSA-O	420.385	5.147	30	20	HKED	
C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)cc1	810258641	XUFYUKVRGAALCH-IIBYNOLFSA-N	421.541	5.858	30	20	HKED	
COc1cc(OC)cc(-c2cccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)n2)c1	812266402	WRTFNMLDURTWAE-UHFFFAOYSA-N	424.913	5.100	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1	915293212	IQEAOZGXUAEGCG-QHCPKHFHSA-N	422.488	5.353	30	20	HKED	
CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353704	WFVZQDIYFLUVLY-VWLOTQADSA-N	424.548	5.606	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1ccc(Cl)cc1	916900507	PPRYEOPLMIYUHF-LIRRHRJNSA-N	414.958	5.293	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2ccccc2c1	916912505	ZUIWISVDKWWSHT-JOCHJYFZSA-N	406.441	5.593	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3ccco3)sc2C)cc1	916951678	ZUELGPWUCDBLRB-DYVFJYSZSA-N	407.495	5.186	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1	919980078	LULMWTWDGAOUEJ-UHFFFAOYSA-N	413.260	5.940	30	20	HKED	
Cn1cc(/C=C\C(=O)c2c[nH]c3cc(Cl)ccc23)c(-c2ccc([N+](=O)[O-])cc2)n1	920069039	ZKCJVLCPVIFENK-WTKPLQERSA-N	406.829	5.026	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)s1	920101444	AHTQXUPJQXYSLC-OAHLLOKOSA-N	419.531	5.104	30	20	HKED	
N#Cc1ccccc1OCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1	3350247	POLXQKNBQAYQTE-UHFFFAOYSA-N	404.278	5.006	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1	6338631	VAFBPYRBNQNPKX-MDWZMJQESA-N	406.825	5.397	30	20	HKED	
CC[C@H](C)c1ccc(-n2c(SC[C@H](C#N)CCC#N)nc3ccccc3c2=O)cc1	7204928	AJLJKCDTXOBJRK-ROUUACIJSA-N	416.550	5.435	30	20	HKED	
COc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1	7279089	GKDSTINJCHUCPF-UHFFFAOYSA-N	411.486	5.610	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCSc2ccc(F)c(F)c2)n(Cc2ccco2)c1C	14073335	ZFQLPMXTQUFRQQ-UHFFFAOYSA-N	415.465	5.017	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)c1ccccc1	48857145	ULERWAGZGVTQHW-OAQYLSRUSA-N	405.457	5.286	30	20	HKED	
O/C(=N\c1nnc(-c2ccsc2)s1)N1CCc2[nH]c3ccc(Cl)cc3c2C1	52495827	WNYALNXPVUWWJG-UHFFFAOYSA-N	415.931	5.005	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	58515388	SUTHUDOSSRPBBX-UHFFFAOYSA-N	414.480	5.198	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc12	65839285	JWMMCPZORCZKBD-UHFFFAOYSA-N	416.506	5.307	30	20	HKED	
CCCCCCCCC(CCCCCCCC)n1c2ccsc2c2sccc21	117773526	YUBYNLQVIVPEFV-UHFFFAOYSA-N	417.728	9.960	30	20	HKED	
N#CCCn1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21	207888119	HKSKJXBTZBDSIM-UNOMPAQXSA-N	407.495	5.100	30	20	HKED	
COc1cccc(-c2nnc(S[C@@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)c1	303707297	PFDDOHPJFIZODY-INIZCTEOSA-N	416.506	5.320	30	20	HKED	
CSc1cccc(F)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	409643981	GEOGJMQLDCFARL-UHFFFAOYSA-N	410.445	5.390	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC(F)(c4ccccc4C(F)(F)F)CC3)cc2)CC1	410169976	JHMVCEDBEVGOCM-UHFFFAOYSA-N	416.418	5.362	30	20	HKED	
Cn1nc(-c2ccsc2)cc1NC(=O)c1ccccc1Oc1ccccc1C#N	427907220	VPSWJHAMWIOOGK-UHFFFAOYSA-N	400.463	5.065	30	20	HKED	
CCCOc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Cl	428229353	DWANKGDNLNFYGC-UHFFFAOYSA-N	408.889	5.158	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1C	429110943	CDTUSFVFONPPCY-MRXNPFEDSA-N	412.415	5.037	30	20	HKED	
C[C@H]1CCCCN1Cc1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	431815179	VEDAEFMGRUVPGT-OFVILXPXSA-N	418.585	5.295	30	20	HKED	
CC(C)c1nn(C)cc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	431899167	BKCRPSLDASHWGY-GOSISDBHSA-N	407.905	5.496	30	20	HKED	
CCCc1nc(C)c(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1	432871911	KAZSFJZJTZDTFD-UHFFFAOYSA-N	418.497	5.016	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cc(F)ccc1SCC(F)F)c1ccccc1	432978205	ICXRQSJJCBHBBZ-INIZCTEOSA-N	407.461	5.740	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H](C#N)CCc2ccccc2)cc1	433306802	UAIDRNUOKLWMOL-QFIPXVFZSA-N	409.489	5.043	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2csc(C)n2)cc1	433789272	LMRPCGHLUSNNCF-UHFFFAOYSA-N	407.499	5.070	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@H](C#N)c1nccc2ccccc12	435772060	OFQXEIOJCKRDID-MRXNPFEDSA-N	422.271	5.995	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	437515657	GHFVGENVPNIFDW-YCRPNKLZSA-N	420.513	5.360	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CSC(C)C)c2C)cc1	438454213	IYKNQERODIJMAJ-UHFFFAOYSA-N	412.559	5.588	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(F)cc(F)cc1F	438554079	NNLSIQRZVIECRQ-UHFFFAOYSA-N	417.200	5.226	30	20	HKED	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)c1cccc(C#N)c1	442668036	BGEBENHWKFDIPF-HZPDHXFCSA-N	403.448	5.377	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)CC1	443937382	BDJBZJFCAWDPSF-UHFFFAOYSA-N	408.889	5.505	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1SCCc2ccccc21	463103606	FCBVVJAKSLYLMS-NRFANRHFSA-N	401.491	5.023	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	463120232	UNSOUHNDHYKSHN-INIZCTEOSA-N	421.522	5.138	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)NCc2cccc(C#N)c2)C(C)C)cc1	465525251	WPGRCBYHWYPREL-UHFFFAOYSA-N	413.521	5.354	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)nc(C)n1	466975423	YEKTUCRGKZMTDY-QGZVFWFLSA-N	412.276	5.683	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C	468337078	QPIMZILPHDPUQP-HXUWFJFHSA-N	407.558	5.603	30	20	HKED	
CC(C)(C)OC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1	469279041	PNCXZEFHFXTARU-UHFFFAOYSA-N	412.917	5.424	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1	471165461	NTMJZVLVZVYHGK-UHFFFAOYSA-N	406.555	5.171	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccccc3Oc3ccccc3Cl)o2)c1	471622482	SIIAVEAACBUBQR-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1	473762732	PZZGGOPQVALGKP-NRFANRHFSA-N	404.901	5.447	30	20	HKED	
Cc1nc(CC2CC2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	474973516	QHVZTEABVVQKOW-LBPRGKRZSA-N	415.490	5.296	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNc1ccccc1SCCC#N	475161911	ABWXHMXGAJIAML-UHFFFAOYSA-N	408.354	5.070	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1	475542888	AMZOVBBQFRYBMO-UHFFFAOYSA-N	419.500	6.187	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(COCC(F)(F)F)c1	475581176	IJFCJNHFAVUZNH-UHFFFAOYSA-N	420.475	5.939	30	20	HKED	
CN(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1	478075094	AQVUTESTJJIQQJ-CQSZACIVSA-N	417.321	5.068	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H](c2ccco2)C1	480207751	FQUHUHPFQVKIEL-CJNGLKHVSA-N	407.392	5.097	30	20	HKED	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	482757978	FZHBJDKTRLXDMC-UHFFFAOYSA-N	411.461	5.260	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)CSc2ccc(C#N)cc2)c(C(F)(F)F)c1	483527890	RJNKKJNZNRGZSJ-ZDUSSCGKSA-N	424.513	6.198	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1C	488882147	USPKUMCGVHSYED-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(F)F)c(F)c3)n2)cc1	497369014	ZFGOBYOEDREWFO-CQSZACIVSA-N	418.396	5.049	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)o2)c(C)c1	498784211	RDFBZPBHNAIBBR-UHFFFAOYSA-N	404.466	5.410	30	20	HKED	
CC(C)CN(C(=O)c1csc(-c2ccc(Cl)s2)n1)c1ccc(C#N)cc1	499325012	BSROGTNXCDAONO-UHFFFAOYSA-N	401.944	5.699	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	501769264	YDENQKOJSVYISU-GJZGRUSLSA-N	422.260	5.472	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1	503901038	LJRYEZNOLKFOTH-UHFFFAOYSA-N	413.546	5.157	30	20	HKED	
O=C(CC(F)(F)F)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F	504714065	AOUASLFGXIWVEB-UHFFFAOYSA-N	413.264	5.345	30	20	HKED	
COCc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)sc2cccc(F)c12	505356723	ZPETTZFMQGHJED-CQSZACIVSA-N	423.296	5.488	30	20	HKED	
COc1ccc2sc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c(C)c2c1	505959745	JKHSBMJMKMWXBA-INIZCTEOSA-N	404.413	5.232	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	507909209	PYGNGYMDLKOOQO-OPAMFIHVSA-N	411.461	5.197	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cccc(Br)c2Cl)cc1	509305013	MOHCLUBZWXWNJX-UHFFFAOYSA-N	407.695	5.062	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21	509968682	MKCIBUBFEFPVHJ-QGZVFWFLSA-N	416.344	5.330	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)NCCCCC#N	510584036	YRCLDMRPGHYIEA-LPHOPBHVSA-N	420.944	5.733	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccnc(Oc3ccccc3)c2)c1	511342978	LCLLSVLFAKYEIB-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)c2ccc(F)c(C#N)c2)nc1-c1ccccc1	513410782	GUDLLOIERQSXBW-HXUWFJFHSA-N	403.457	5.453	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C#N)c(Cl)c4)cc3)o2)c1	514525848	BKIKODJAAAFTCM-UHFFFAOYSA-N	414.852	5.489	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	517655219	BANMDBDSISXGLA-MRXNPFEDSA-N	406.432	5.656	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	517680847	JIGBTYCVOZJWFX-LBPRGKRZSA-N	419.337	5.217	30	20	HKED	
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	518753514	QGZLUYHRLYIWBE-SJORKVTESA-N	424.570	5.387	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	519515623	ONAXEUSYJRTMQC-BMFZPTHFSA-N	404.457	5.842	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccc2)nc1	520099495	OFMDQINOJHJUCD-UHFFFAOYSA-N	422.463	5.310	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	521259588	PKGPLNIOWNOYRB-VQIMIIECSA-N	423.538	5.079	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)cc2)c1	521324440	UESHTMJEEGOLCK-UHFFFAOYSA-N	404.376	5.417	30	20	HKED	
COC1CCC(N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	522466603	ZDOAQTAAJBMGKW-UHFFFAOYSA-N	413.905	5.425	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1	523223241	SDHJUPZJNAJBKH-UHFFFAOYSA-N	406.869	5.188	30	20	HKED	
N#Cc1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1Cl	524024901	DZLWAEOWOZWXQJ-UHFFFAOYSA-N	408.864	5.023	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)o2)cc1	524383594	LBNNDNIMYYBFMC-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
CCc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	524438191	UJZGPRVIZAIRQD-UHFFFAOYSA-N	405.523	5.391	30	20	HKED	
N#CCc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c1	532435143	NISZLZMNOBOTAN-ICFOKQHNSA-N	406.445	5.028	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1C1CC1	534839435	LNFCFOZQWQJRHX-MAUKXSAKSA-N	404.539	5.654	30	20	HKED	
CCCCOC1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1	536393956	FREHBMGJTJHMPL-UHFFFAOYSA-N	412.917	5.425	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NCc3nnc(-c4ccc(C#N)cc4)o3)cc2)c1	537101512	PNPBDMPXARZYOF-LJQANCHMSA-N	424.504	5.347	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(C4(C#N)CC4)cc3)s2)cc1	537423857	VVUZNSGMSNORNJ-MRXNPFEDSA-N	401.535	5.473	30	20	HKED	
C=CCC[C@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccccc1	540458295	NIBYSUCPPXZACH-HNNXBMFYSA-N	404.333	5.358	30	20	HKED	
CCCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1	540596322	SDFDOCOFAZRLSZ-YADARESESA-N	404.558	5.007	30	20	HKED	
C[C@@H](NC(=O)c1cnc(-c2ccccn2)s1)c1ccc(-c2cccc(C#N)c2)cc1	541998866	GWSFTWOROYZDOE-MRXNPFEDSA-N	410.502	5.235	30	20	HKED	
COc1ccc(CNc2ccc(-c3nc(C4CC4)no3)cc2C)cc1OCCCC#N	543229992	IBDBFBGLLFRHPM-UHFFFAOYSA-N	418.497	5.226	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	544117102	JACYTMIHLWKULB-SVMVAKDDSA-N	423.582	5.111	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1ccncn1	546153357	LNEYDNHZUAPFNT-OAHLLOKOSA-N	403.438	5.144	30	20	HKED	
CC[C@H](NCc1ccc(Br)cc1C#N)c1nc(C(F)(F)F)cs1	553917802	BTNABGRGXBAOOJ-LBPRGKRZSA-N	404.255	5.037	30	20	HKED	
N#Cc1c(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n[nH]c1C1CC1	563762701	PWGUHQASAYCBDW-UHFFFAOYSA-N	411.701	5.586	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)c2ccccc21	564219652	CVDURJSNOVBKAC-UHFFFAOYSA-N	422.448	5.244	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(-c2ccccc2Cl)noc1C	565675232	PKARBQKSJLOFHI-UHFFFAOYSA-N	412.921	5.299	30	20	HKED	
COc1ccc([C@@H](CCC#N)NCc2ccc(Oc3ccccc3OC)cc2)cc1	566080134	DLMZZMHCPFIFJX-HSZRJFAPSA-N	402.494	5.631	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C	574724795	GFUSYCHVBLKBFS-UQAQOTMJSA-N	414.553	5.092	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc2cc(F)ccc2s1	592973786	GZYLJIIEBMYUBK-IBGZPJMESA-N	418.518	6.218	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2cc(F)ccc2s1	592973986	LWEBGZMAYZJAOA-LBPRGKRZSA-N	419.462	5.795	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C	595763761	ASEQZCHCFYLETF-UHFFFAOYSA-N	415.609	6.193	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(SCc2ccccc2)cc1	603872724	GQAURFIPRZAPBN-UHFFFAOYSA-N	416.546	5.139	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)cn2)c1	604100990	VPKOWOPMGLDNQM-UHFFFAOYSA-N	423.259	5.786	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2)cc1	604456726	PKQPRYGLOZWBBG-UHFFFAOYSA-N	408.461	5.108	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1	608994915	VRNBFJBINXTVGO-IBGZPJMESA-N	418.324	5.400	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(OCc2ccccc2)cc1	609028280	RCWCTCYIFXTWLV-NRFANRHFSA-N	415.880	5.395	30	20	HKED	
COCCN(CCc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209809	NXBSRBLPGVGUBF-UHFFFAOYSA-N	415.493	5.074	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc2ccccc12	609378428	LJRMRQNUOXTFPJ-UHFFFAOYSA-N	406.454	6.178	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)s1	609460503	CNKQGLINUJQANU-AWEZNQCLSA-N	422.362	5.410	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	609969423	PYCFMRXMQCKJMK-OAHLLOKOSA-N	406.404	5.007	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CN[C@@H](CCC#N)c2ccccc2)cs1	611407031	VLKYTGIXEAERGU-NRFANRHFSA-N	424.957	5.616	30	20	HKED	
COc1cccc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)oc12	642282223	WACSWZIAKDMCGH-LBPRGKRZSA-N	416.380	5.560	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(-c2cccc(F)c2)no1	642298317	PJPIAEIEQXVIAP-PJXYFTJBSA-N	424.316	5.120	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(Cc2ccccc2F)CC1	682371839	DQZPSZHECQJAHC-CHWSQXEVSA-N	411.361	5.174	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2ccc(OC)cc2)cc1	728713163	QCNWJYAZTZLGMX-AFMDSPMNSA-N	416.521	5.068	30	20	HKED	
CN(Cc1ccc(OCC#N)cc1)Cc1cn(-c2ccccc2)nc1-c1ccccc1	729267279	PBCGKXFIXSHBCX-UHFFFAOYSA-N	408.505	5.074	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1	729552540	HNEYFPOVGVIPPM-HXUWFJFHSA-N	418.566	5.460	30	20	HKED	
FC(F)Oc1ccc(NC(=S)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1	729820930	AASHIUSRAXZDBW-UHFFFAOYSA-N	412.330	5.751	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1csc(C(=O)O)c1	730148975	RFODZHYNUPTWGF-HJWRWDBZSA-N	411.866	5.248	30	20	HKED	
C[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)Nc1ccccc1C#N	730347844	YVUJAVINMIFBJT-AWEZNQCLSA-N	422.843	5.202	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1	730394609	JEORVMKXUIJXSE-BEFAXECRSA-N	417.317	5.755	30	20	HKED	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)CC1	731400942	YSDNXOUYUITYJL-IBGZPJMESA-N	422.598	5.639	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	733034565	ZQPXPJORLALMAY-IFXJQAMLSA-N	401.482	5.586	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)nc1	733232669	IYHCLNUOHMDBSA-UHFFFAOYSA-N	418.522	5.105	30	20	HKED	
Cc1ccc(-c2noc([C@@H](C)SCc3cc(Cl)ccc3OCC#N)n2)cc1F	735319278	YBGPSTLXYYMJBE-CYBMUJFWSA-N	417.893	5.734	30	20	HKED	
COc1cc2c(cc1NC(=O)CSc1ccc(C#N)cc1F)oc1ccccc12	741857922	DBNVEWXGFHPPIH-UHFFFAOYSA-N	406.438	5.336	30	20	HKED	
Cc1nnc(-c2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)o1	741945157	ZRLWKCPIEPAANK-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1ccccc1Cl	743093456	VJLVYORCHWOJIX-UWJYYQICSA-N	419.912	5.584	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)OCc1ccccc1NC(=O)c1ccco1	744248292	NVVLVVTWUWPURP-UHFFFAOYSA-N	422.440	5.428	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1F	745956996	QFWIJFZFVQGZSF-HNNXBMFYSA-N	421.501	5.482	30	20	HKED	
N#Cc1ccc(/C=C2/CN(c3ccccc3)C/C(=C\c3ccc(C#N)s3)C2=O)s1	748996857	BKHUJFNTGJRQKO-VRNBXGKJSA-N	413.527	5.109	30	20	HKED	
C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)C[C@@H](C)c2c(C)noc2C)c1	754531925	OQHKSSVUPJIEHH-MRXNPFEDSA-N	419.477	5.186	30	20	HKED	
CC(C)COc1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1	754674492	WKLSCSMJDVAWIU-HXUWFJFHSA-N	406.507	5.100	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC	754689504	HRELZEXTYOKYOG-QPJJXVBHSA-N	400.780	5.281	30	20	HKED	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1	759232560	STXSMGRKCJQSAV-MGPUTAFESA-N	422.525	5.017	30	20	HKED	
C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761064904	LGFBCAAREFDWSY-GFCCVEGCSA-N	416.264	5.152	30	20	HKED	
Cn1c(CC(=NOCc2ccn(C3CCCC3)n2)c2ccccc2)nc2ccccc21	763188743	VQJQZMSMTCNEDK-UHFFFAOYSA-N	413.525	5.049	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1	765529374	UXGNWJFJDQHZSQ-SFHVURJKSA-N	421.928	5.316	30	20	HKED	
CC(=O)N1C/C(=C\c2ccc(Oc3cccc(F)c3)cc2)C(=O)c2ccccc2C1	766490503	KFODKRZQBFZQRQ-DEDYPNTBSA-N	401.437	5.246	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)C1	766618932	XBAGWODQUDPKSF-FGTMMUONSA-N	417.500	5.763	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)cc1	766842035	PQMFXLINBJABNS-ARFHVFGLSA-N	412.436	5.516	30	20	HKED	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)OCCCCC(C)(C)C#N	768565037	YHJNZWLVIAADJY-UHFFFAOYSA-N	402.878	5.371	30	20	HKED	
Cc1cccc([C@H](O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	768965044	HGFOXWIEHZEXTR-FYYLOGMGSA-N	419.912	5.159	30	20	HKED	
Cc1cncc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	772555366	WVAQUPAOGBKIAW-OUGHUQCRSA-N	414.317	5.710	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCc2c(Cl)cccc21	776075993	ADFDDTBNVKNMBD-JKSUJKDBSA-N	407.684	5.024	30	20	HKED	
CC(C)N1C/C(=C\c2scnc2C2CC2)C(=O)/C(=C/c2scnc2C2CC2)C1	782302230	PIIZVYJZVPMWOV-GDWCLCACSA-N	411.596	5.115	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1F	783086390	RBPTTZWUXMAMJC-UHFFFAOYSA-N	423.375	5.059	30	20	HKED	
CCN(Cc1ccccc1)c1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1	792111840	ZHNLAGYMQGHGEJ-QFIPXVFZSA-N	406.489	5.146	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1OCc1ccccc1	797571932	XIIHFZNLECOAPQ-SFHVURJKSA-N	420.534	5.518	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(C)c(C#N)c3)C2)n1	799374746	MCKILMBXXRMVIH-SFHVURJKSA-N	417.534	5.019	30	20	HKED	
Cc1cc(COc2ccc(/C=C\C(=O)c3cnn(C4CCCC4)c3)cc2)oc1C(=O)O	799895134	CLKPFNOICTZQIN-FLIBITNWSA-N	420.465	5.073	30	20	HKED	
O=C(/C=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1cnn(C2CCCC2)c1	799897058	KCPMHTKIONJGHG-YFHOEESVSA-N	414.431	5.158	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1	802043197	SWRRZLVKPDXJEA-MOPGFXCFSA-N	420.406	5.406	30	20	HKED	
CC(C)(C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc(C#N)c1	803113962	UZNZNJUFPGYWIK-MRXNPFEDSA-N	404.407	5.010	30	20	HKED	
C[C@H](NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1	806182244	WIAMFDNRFRLJOZ-INIZCTEOSA-N	409.505	5.236	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](CCOC)c1ccc(Cl)c(Cl)c1)c1ccncc1	806819218	NPYXFDCTLVZPIT-RBUKOAKNSA-N	408.329	5.083	30	20	HKED	
N#CCc1ccccc1Cc1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1	809531654	RHMUJPPXOOVKBW-UHFFFAOYSA-N	410.355	5.067	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1cc(C(F)(F)F)ccn1	813212783	GDWGDUDPDUKNJR-OAHLLOKOSA-N	408.470	5.459	30	20	HKED	
N#C[C@@H](C(=O)[C@H](c1ccccc1)N1CCc2ccccc21)c1cc(C(F)(F)F)ccn1	813218474	WFNIHIQPNIYONH-KNQAVFIVSA-N	421.422	5.081	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1	915180548	ORRAVQBEUMZNRE-IBGZPJMESA-N	412.436	6.206	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2ccc(Br)s2)c(-c2ccccc2)n1	916134131	CLYUBKDQYRIRRS-FPLPWBNLSA-N	412.312	5.184	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	916906057	BKJMYTLWPIIGTP-NRFANRHFSA-N	423.472	5.090	30	20	HKED	
Cc1cnc(O)c(CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)c1	1466867736	JRFNPDTWARDVIO-UHFFFAOYSA-N	424.913	5.094	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4ccccc4C)CCC3)cc2)C1	1785810235	ISEYHINBJURDJC-UHFFFAOYSA-N	402.538	5.028	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1	1789049255	HXNISKPUNZUXSG-QGZVFWFLSA-N	402.494	5.393	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)[nH]n3)CCC2)cc1	1789456878	YLUNQPXXROPYFU-HXUWFJFHSA-N	420.557	5.049	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OCC)c3)CCC2)cc1	1791249650	WWWWARUPAYCXHK-GOSISDBHSA-N	406.526	5.045	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC=CCC3)CCC2)cc1	1791301264	XJKWORZCCXFMAS-NRFANRHFSA-N	402.485	5.078	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1	1831369199	CGYAAGBGAGAWPJ-GCJKJVERSA-N	422.569	5.187	30	20	HKED	
CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C#N)CC1	1831574733	XELXFWPWNZOMDT-OAQYLSRUSA-N	417.638	5.152	30	20	HKED	
N#CCSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F	4515947	KSZKMLHTYLNAMY-XNTDXEJSSA-N	406.269	5.133	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(Cl)cc1	10832572	KMACJTLXZVOJDW-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
C=CCn1c(SC[C@H]2CCCO2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	11597789	OZZTUSQLAALCNN-MRXNPFEDSA-N	416.543	5.030	30	20	HKED	
C=C(C)CN/C(S)=C(\C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(C(C)(C)C)cc1	22797116	ILRRATYFCUKLGJ-UHFFFAOYSA-O	409.619	5.301	30	20	HKED	
C[C@@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1	25983504	XHODBKHUGZCORK-SNVBAGLBSA-N	406.845	5.076	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1	54570433	GRVIWKNSFXGXJB-CQSZACIVSA-N	411.481	5.729	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(Cn2ccnc2)c1	56470312	IKZCAFXJNYHFOK-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
COc1ccc(C[C@H](NCc2ccc(O[C@H](C)C#N)cc2)c2ccccc2)cc1OC	237439178	LRGLQLNTOQGALP-DVECYGJZSA-N	416.521	5.068	30	20	HKED	
N#CCCCOc1cccc(NCc2cc(Cl)ccc2OCc2cccnc2)c1	237764472	PFQBZXWBMGFYQX-UHFFFAOYSA-N	407.901	5.609	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)Cc1c(C)noc1C	303873530	XWCIQWGJZDCYIB-HNNXBMFYSA-N	404.470	5.017	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Br)c(C(F)(F)F)c3)[nH]c12	426190755	HSIPRZAWQRTEIT-LLVKDONJSA-N	422.204	5.143	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)s1	430615434	BZRXYCRSZXVFNH-GOSISDBHSA-N	406.482	5.301	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2Cl)cc1	430626740	MGNUFJMIHIYKLL-JOCHJYFZSA-N	422.937	5.484	30	20	HKED	
N#CCCC[C@@H](NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1	431376212	LWYJSEJHXXNTKK-VQTJNVASSA-N	403.448	5.142	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCc1ccccn1)Cc1cccnc1	432577092	FTCJFNAEHIPJBD-UHFFFAOYSA-N	414.553	5.605	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@H](CCCC#N)c2ccccc2)on1	433020680	OKNONRXNSFKVJE-HSZRJFAPSA-N	411.505	6.028	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	433992945	KQNNMMRNEVRGGC-UHFFFAOYSA-N	406.269	5.309	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccc(Cl)cc2s1	436444125	MANNTNHZJSREDA-UHFFFAOYSA-N	423.881	5.270	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437476099	UQIDAHPKMCKVOD-HNNXBMFYSA-N	420.415	5.476	30	20	HKED	
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1	437617885	BZQRMCZEMQYSCW-FQEVSTJZSA-N	413.521	5.427	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)cc1	438038080	UGCYFWBJVFODCO-UHFFFAOYSA-N	406.379	5.294	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](CSc2ccccc2)C1	438062540	WTHUUHCQRNNWBE-QZTJIDSGSA-N	411.596	5.727	30	20	HKED	
C=CCC[C@H](NC(=O)c1cc2ccccc2nc1O)c1ccc(C(F)(F)F)cc1	441538912	GETVALYYYDPYGC-SFHVURJKSA-N	400.400	5.397	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1	446223791	BLGMHESCRUQXGX-ZDUSSCGKSA-N	418.353	5.202	30	20	HKED	
CCC(CC)c1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)on1	461119070	SJEWLWNJIKNWDE-UHFFFAOYSA-N	419.550	5.672	30	20	HKED	
CSc1cccc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2cc(F)ccc2F)c1	466248774	LADMPJMRTUWIEY-QFIPXVFZSA-N	423.488	5.664	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	468201335	LTBXFUBYUGLJIP-ZJUUUORDSA-N	407.285	5.327	30	20	HKED	
CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC(F)F)cc1	469301729	KPGZQOPRWPWYHB-FQEVSTJZSA-N	413.468	5.434	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Cl)cc2OC(F)F)c2ccccc21	469799215	NZBSSSXHFJCWBQ-UHFFFAOYSA-N	403.816	5.452	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470539446	XZOAXWXZQZJFAB-MRXNPFEDSA-N	424.932	5.148	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3ccc(F)cc3)c3ccccc3Cl)o2)c1	471606615	OJWUUYYTSFQFBP-JOCHJYFZSA-N	418.859	5.280	30	20	HKED	
O=C(Cc1cccc(F)c1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474273443	LMSVSTBFMFTJFK-AWEZNQCLSA-N	411.292	5.336	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)n1	474430445	FNLGMLQQKIQASN-HNNXBMFYSA-N	419.535	5.066	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)c(C(F)(F)F)c1	475524669	BHXJFRWEWQJMOS-QGZVFWFLSA-N	404.432	5.196	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccccc1	477164851	NXAGYXAHEXWMBN-CYBMUJFWSA-N	400.866	5.024	30	20	HKED	
Cc1cc(Cl)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl	477734977	YJZSYPSZBUNLKN-UHFFFAOYSA-N	422.287	5.388	30	20	HKED	
C=C(C)CN(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	479291737	VINFRWLRIPKRHF-ATVHPVEESA-N	407.495	5.170	30	20	HKED	
CC(C)CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCc2cccnc21	480556937	SFBZFNGRLCFCGI-WIYYLYMNSA-N	422.598	5.901	30	20	HKED	
C[C@H](c1ccccc1)n1c(SCc2ccc(F)cc2C#N)nnc1-c1ccccc1	483130965	QSFPSNLHNWQROA-QGZVFWFLSA-N	414.509	5.857	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cnc2ccccc2n1	483219618	LQERIANSCMSEBE-CQSZACIVSA-N	423.350	5.278	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C	484551518	JKOYPUTWLMDAFM-GOSISDBHSA-N	411.461	5.254	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccc(Oc2cccnc2)c(F)c1	488149989	VIQGPJOPLQFRCL-UHFFFAOYSA-N	406.367	5.323	30	20	HKED	
CCCCSc1nnc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1	496303014	LKMVVFXYJIPAPB-UHFFFAOYSA-N	420.629	5.086	30	20	HKED	
C=CCN(C(=O)c1ccc2ncccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	499314035	GXUKMVMKEIEWTL-UHFFFAOYSA-N	416.462	5.099	30	20	HKED	
C=CCC(C)(C)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	500588769	WTHNNVVXKSWVNB-OAHLLOKOSA-N	409.370	5.226	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21	502679292	JVQIIZFJVGZGDG-RUZDIDTESA-N	416.521	5.214	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)n1	505292877	AMVDHTOQYMCAAS-CQSZACIVSA-N	409.923	5.872	30	20	HKED	
COCc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)sc2cccc(F)c12	505928509	PDLWJFVMRCJCPV-HNNXBMFYSA-N	423.296	5.488	30	20	HKED	
COc1ccc(CN[C@H](C)Cc2ccc(Cl)cc2Cl)cc1OCCCC#N	507913118	JFTDOPPMNPCSBG-OAHLLOKOSA-N	407.341	5.405	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(CCC(F)(F)F)cc1	509275478	FDLJNZSJXTUWCL-MRXNPFEDSA-N	407.329	5.744	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)cc1	509552556	BZKKPXKSJFXASH-UHFFFAOYSA-N	411.461	5.533	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1	509647438	YPPULXQESDRMFJ-UXHICEINSA-N	401.432	5.055	30	20	HKED	
CCN(C)C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1	512005298	GSABODVBNMLEEP-KRWDZBQOSA-N	423.582	5.115	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc(-c2ccccc2)[nH]1	512338905	OOYGOVPTHMTVQT-UHFFFAOYSA-N	422.488	5.620	30	20	HKED	
N#Cc1ccc(OC2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c(F)c1	512800646	FTJZDNKGONAKOK-UHFFFAOYSA-N	411.477	5.003	30	20	HKED	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SC[C@H](C#N)CCC#N)nnc1-c1cccs1	514613058	INKZDCMFQNJJFF-RSJGLCBASA-N	411.600	5.539	30	20	HKED	
C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1	516216849	VXYVMFAJIOOOEL-HSZRJFAPSA-N	411.509	5.029	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	521209017	NJDSTUQBVMDUME-QGZVFWFLSA-N	401.466	5.550	30	20	HKED	
Cc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1	523133876	DJPBGMVGDFXQFO-UHFFFAOYSA-N	401.485	5.226	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1	523405127	SMUQLKOLOVCXJK-FQEVSTJZSA-N	412.464	5.099	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](c1ccccn1)c1ccccc1OC)c1ccccc1	534058997	KSVSCIXUMVSBDE-XUZZJYLKSA-N	401.510	5.186	30	20	HKED	
CC(C)c1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c2cnn(C(C)C)c2n1	536971391	JKYZAWPVXWNDMT-UHFFFAOYSA-N	409.559	5.619	30	20	HKED	
CCC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	537060286	WHFAIBBBHSCTGP-GOSISDBHSA-N	400.404	5.258	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N	539754860	LNEOQLMPBHHAPI-CHWSQXEVSA-N	424.492	5.056	30	20	HKED	
Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	541099624	FKIIPKHJBXOAAI-LJQANCHMSA-N	405.889	5.075	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccs1	541706444	WEORBQZFZPFJBT-ZDUSSCGKSA-N	412.902	5.386	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(C)cc2Sc2ccccc2)n1	542284975	MBPUQXSENWQDFS-KRWDZBQOSA-N	422.531	5.270	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OCC2CC2)CC1	555285805	SHSRFIASMGIDHG-FQEVSTJZSA-N	424.589	5.006	30	20	HKED	
COc1ccc(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	556495954	UVSFMMMQYCZNEE-UHFFFAOYSA-N	423.328	5.073	30	20	HKED	
CCOc1ccc([C@H](NCc2cnc3ccc(C#N)cn23)c2cccc(Cl)c2)cc1	563683097	MMNKHJHJUZZBRV-DEOSSOPVSA-N	416.912	5.137	30	20	HKED	
C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(NC(=O)Cc2ccccc2F)c1	580249323	COHCHTPJQNGBES-CRICUBBOSA-N	413.496	5.217	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccccc3CC#N)cc12	588987512	CJNHWSXURNRPBQ-UHFFFAOYSA-N	406.898	5.367	30	20	HKED	
CC(C)n1ncc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cnc21	589634082	BFPCRHOMONVVLI-MRXNPFEDSA-N	421.570	5.349	30	20	HKED	
N#CC1(CC(=O)Nc2cc(Br)ccc2Oc2ccc(Cl)cc2)CC1	590291841	ZXGIAGKPMWELBI-UHFFFAOYSA-N	405.679	5.527	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1cccc(CC#N)c1	603730768	RGFAMSGYJINOGH-KRWDZBQOSA-N	408.954	5.741	30	20	HKED	
Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cnn1-c1ccccc1F	609176876	VXEJZALHFYEYLR-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	609298221	GNGUUGLNHRHLCK-MOPGFXCFSA-N	400.503	5.136	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	609376443	AJZQZLUYEUMUIG-CYBMUJFWSA-N	400.573	5.134	30	20	HKED	
COc1cc(C)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609381690	KMLLDNZZEUWIIJ-UHFFFAOYSA-N	424.444	5.046	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1	609497766	IDRZWTQKDHPWFV-QHCPKHFHSA-N	408.498	5.214	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](c2ccccc2)O1	609516407	HQZQUDILIBTPQC-CLOONOSVSA-N	412.489	5.147	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1SCC(F)F	609932781	JXLWGPKHKFYSEZ-UHFFFAOYSA-N	423.916	6.011	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2cccc(F)c2o1	610227128	YQPIKXLQZAHKFG-UHFFFAOYSA-N	400.409	5.583	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	611557080	XYXUXBZJYXEKSG-ZBFHGGJFSA-N	403.404	5.545	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)oc2ccc(Br)cc12	613291211	WIVCKTIDLUCJSM-INIZCTEOSA-N	405.251	5.542	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccccc4)nc3C)n2)cc1	613315270	JQUJCYGSXKCGIC-SFHVURJKSA-N	415.543	6.041	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1	613405007	SGJLWZNXYFWDHM-LBPRGKRZSA-N	402.422	6.020	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)s2)c(C)c1	622283151	FRHGVMNPLYOQGW-HNNXBMFYSA-N	423.950	6.180	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@H]4C[C@H]4C)c3)n2)cc1	642281229	PXXILVJOMGHLNH-UIAACRFSSA-N	415.518	5.203	30	20	HKED	
O=C(NC[C@@H]1CCCCC(F)(F)C1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	644112012	KMGWBCOWWJDZCW-IJLUTSLNSA-N	424.376	5.411	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OC1CCCC1	726455321	MCOZTYLJZPVWIZ-UHFFFAOYSA-N	401.919	5.351	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)N[C@H](C)c2cccs2)cc1	726490277	WWGGPGRGCGIGMT-CQSZACIVSA-N	409.536	5.468	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12	726532399	IGERZWFOSYLMIB-UHFFFAOYSA-N	422.326	5.429	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728063040	UFIZWOFLUYMRAU-QGZVFWFLSA-N	419.912	5.538	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1F	728175321	PLVGOXPUXSTPCL-UHFFFAOYSA-N	409.461	5.533	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2	730994671	LBJQLXOJYSAYCI-XVNBXDOJSA-N	420.412	5.092	30	20	HKED	
N#Cc1cccc(COc2ccc(N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2)c1	732229086	VGEHANPMFRDIIV-QFIPXVFZSA-N	417.896	5.008	30	20	HKED	
Cc1ncc(/C=C/C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1	732739265	WISUYSZRRIIENA-SOFGYWHQSA-N	409.898	5.208	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc2ccccc2s1	734210984	PGLKXXCMMRTVBP-HNNXBMFYSA-N	414.490	5.843	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1	735349192	NFZJDYRMENEVAR-UHFFFAOYSA-N	409.791	5.036	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCc3ccccc3[C@@H]2CC)c1=S	738243937	RZNXULGTLIWBCZ-NRFANRHFSA-N	420.582	5.243	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S	739841963	RUPOYJGWDFMETR-UHFFFAOYSA-N	403.983	5.431	30	20	HKED	
CCOc1ccc(C=NOCc2ncc(-c3ccccc3Br)o2)cc1	742351938	IFMFGXCWKKBUJR-UHFFFAOYSA-N	401.260	5.054	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1	743093273	QKQJWYWBPNTGHC-GOTSBHOMSA-N	419.912	5.505	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C(F)F	744038440	UVMIISQMUVSMBV-SOUVJXGZSA-N	420.246	5.718	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2nc(S)oc2c1	746161932	FMCDYRICKSQGAE-UHFFFAOYSA-N	401.447	5.341	30	20	HKED	
CC(=NNC(=S)Nc1ccc(SC(F)F)cc1)c1c(C)nn(C(C)C)c1C	746487043	PHGLVJRKBGFBEL-UHFFFAOYSA-N	411.547	5.106	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	747194384	ZFYYDCNJIQQJOX-GOEBONIOSA-N	405.361	5.474	30	20	HKED	
O=C1/C(=C\c2ccc(Cl)nc2)CN(c2ccccc2)C/C1=C\c1ccc(Cl)nc1	748999366	WNJCVGJXHOWUGV-OMYAATJGSA-N	422.315	5.340	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccsc2)ccc1OCc1ccc(C(=O)OC)o1	749105057	QGCXMQZARVVXDC-DAXSKMNVSA-N	412.463	5.002	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3cc(C)sc3C)n2)cc1	753397624	UYXHGTIERAPIJI-LJQANCHMSA-N	410.564	5.696	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Br)c1	755136744	UYJRTUUJEKFCTE-HXUWFJFHSA-N	405.295	5.665	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cnc(Cc4ccccc4)s3)cn2)c1	755159372	OBOKZTNTSJRCTH-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccc(Cl)nc2)cc1	758571003	SGGLEXSBQLZRIR-WQLSENKSSA-N	403.869	5.032	30	20	HKED	
Cc1cc(OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1Br	764587100	VDOMWYRROFMALZ-ZDUSSCGKSA-N	419.344	5.027	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)CCc1nc2cc(Br)ccc2s1	768736855	BKILKQVPAVWGNM-UHFFFAOYSA-N	409.349	5.255	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c2ccccc21	769543858	JXIJKPGSWGJREW-UHFFFAOYSA-N	420.856	5.005	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(C(C)(C)O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	773507913	FSQCUEOUMGTAKX-GOSISDBHSA-N	413.521	5.013	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)c1ccc(F)c(F)c1	775624998	USESIVWHVSBXPL-FQEVSTJZSA-N	417.456	5.038	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ccc4ccccc4c3)n2)cc1	776084342	LLGPICFVRFZNRF-HSZRJFAPSA-N	421.525	6.034	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	789144524	VMRMFZSQTSBGBR-PTZVLDCSSA-N	413.470	5.386	30	20	HKED	
CC(C)Oc1ccc(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)cc1C#N	790556895	LDDRBRCQWMDKNN-UHFFFAOYSA-N	423.513	5.264	30	20	HKED	
C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(SC(F)(F)F)cc1	791702663	LRKAGFDJHAILDE-SUMWQHHRSA-N	404.413	5.157	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1ccc(OC(F)(F)F)cc1	795137853	BYMRONDERDMBRO-UHFFFAOYSA-N	412.481	5.138	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	801142772	KZNQZTRTXCHCMS-IBGZPJMESA-N	408.420	5.032	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1)C2	804698936	XIIVTJWNXIYZCS-ZOBUZTSGSA-N	407.370	5.348	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1cn2c(n1)CCCC2	807958435	XXOCYKVUKXTYAJ-UHFFFAOYSA-N	402.527	5.036	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@H](C#N)c1nccc3ccccc13)oc1ccccc12	812454454	HPVPMWUWJCXUOG-LJQANCHMSA-N	407.429	5.389	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2cncc(-c3ccsc3)c2)c2ccccc21	816256978	GKVKCSREXNEKNT-UHFFFAOYSA-N	401.491	5.426	30	20	HKED	
CCOC(=O)Nc1ccc(NCc2cccc(Br)c2Cl)cc1C#N	864019936	DOVGEEYUAYBWMI-UHFFFAOYSA-N	408.683	5.155	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1oc2ccc(CCC(C)=O)cc2c1C	896673439	SNTXVIIFHIKQSD-UHFFFAOYSA-N	411.841	5.016	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(/C=N\C2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1O	914703707	XQSOMGNUHAADSY-IJVYUNTJSA-N	418.721	5.282	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccc(F)c(Cl)c2)cc1	915598677	ZZWCMEIZAJTFQX-HXUWFJFHSA-N	408.860	5.542	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(F)ccc1F	915943484	FPVMOBNYKGPLKF-UHFFFAOYSA-N	415.852	5.247	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(C)=NNc3ncccc3C(F)(F)F)c12	915960511	GPSSUUINSPHMDP-UHFFFAOYSA-N	412.419	5.033	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC#Cc1ccccc1	920118122	RYQTVPBVTZLRQN-MRXNPFEDSA-N	411.910	5.212	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3c(C)cccc3C)n2)cc1	920138122	AGDNGZYSXFPPNO-IBGZPJMESA-N	406.507	5.081	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1	1824347954	BHQRTVSPYLGACR-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)s2)CC1	1825351418	PNDOJUAHWALKIG-SFHVURJKSA-N	420.594	5.113	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1	41552552	WROOANXYWZWLKY-INIZCTEOSA-N	416.378	5.039	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F	48339074	PXOVJJGWNRBVJC-UHFFFAOYSA-N	404.385	5.171	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	58045141	PUGFVJMRYXFSGL-UHFFFAOYSA-N	411.508	5.170	30	20	HKED	
N#Cc1c(NC(=O)CCSc2ccc(C(F)(F)F)cn2)sc2c1CCCC2	58489809	NUVJJLFDPPAVRV-UHFFFAOYSA-N	411.474	5.033	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1	63389378	SLIFHAYABFOGKG-UHFFFAOYSA-N	408.933	5.422	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1	65839517	MMYDBOIJWRSUIW-UHFFFAOYSA-N	405.498	5.117	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1	65840704	CUPHCJSTMOSXGY-UHFFFAOYSA-N	423.516	5.540	30	20	HKED	
CCN1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1	69130181	WBCQPZNTRLOBAT-REPVBDINSA-N	405.501	5.155	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1	195535762	VVCKOJRKWODZRI-UHFFFAOYSA-N	417.412	5.641	30	20	HKED	
CCCC(=O)Nc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1C	236764879	NNQSFEMGFXACEY-UHFFFAOYSA-N	413.521	5.796	30	20	HKED	
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(Cl)c2)c1	255942277	HDWKMEAOPAFAFA-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1	409657878	QCNRZBGNBFINDZ-IBGZPJMESA-N	400.906	5.118	30	20	HKED	
COc1cccc(NCc2nnc(S[C@H]3CC[C@H](C#N)C3)n2C2CCCCC2)c1	430102491	FISMLLLJMPYDMY-JXFKEZNVSA-N	411.575	5.188	30	20	HKED	
COc1cccc2c1[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2	431348747	GEIQVTPJLGDRFQ-JOCHJYFZSA-N	412.489	5.009	30	20	HKED	
N#Cc1cc(NC(=O)c2c(Cl)cc(F)cc2Cl)ccc1OCC(F)(F)F	431480911	FAPIIKZMQREOQF-UHFFFAOYSA-N	407.150	5.198	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F	432474238	BEZHQUMDAJLKEZ-HXUWFJFHSA-N	403.448	5.216	30	20	HKED	
CN(C(=O)Nc1cccc(C#Cc2ccccc2)c1)[C@@H](c1ccccc1)c1ncc[nH]1	432695650	MIYKQBWHDYDQII-DEOSSOPVSA-N	406.489	5.063	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	438082928	WMJMNBNFFYTBSF-LEDOBFOHSA-N	423.582	5.679	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438651433	NAPCWXBYZGMORF-UHFFFAOYSA-N	416.428	5.331	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1	440061094	IPHQWBUSWWFDCO-UHFFFAOYSA-N	411.914	5.194	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ncc(Cc3ccccc3F)s2)c2ccccc21	444037566	GCUPFSXENIAKFC-UHFFFAOYSA-N	418.497	5.384	30	20	HKED	
O=C(Nc1cccc(F)c1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444840086	SCCTYTOEQKKQGG-CYBMUJFWSA-N	412.280	5.799	30	20	HKED	
CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccccc3)c(C#N)c2)C1=O	445936950	IPGNZUJRZVFOBH-QFIPXVFZSA-N	411.461	5.270	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)CC(=O)Nc3oc(C)c(C)c3C#N)s2)cc1	448000185	MQODHMYQBVNDCZ-MRXNPFEDSA-N	422.554	5.140	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(F)c(F)c1	460152307	STUKJOSMCYLVQP-CQSZACIVSA-N	410.395	5.297	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCc2sccc2[C@@H]1CC	460375647	MPJJATXEQOVYDV-SFHVURJKSA-N	424.570	5.017	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3OC(F)F)cc2)cc1	460508601	KIJLSXVPSHHNCG-UHFFFAOYSA-N	412.367	5.538	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1ccc(CC)o1	460545791	SGGJUPMOBYKVPP-LJQANCHMSA-N	422.529	5.035	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1SCCc2ccccc21	463747189	HUDHXKTURBEPPN-SFHVURJKSA-N	422.497	5.680	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N	463750327	LMWKYZCWMAFJDZ-CQSZACIVSA-N	410.930	5.338	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)n2)cc1	464191954	KOLKCEOJSVPAOH-YLJYHZDGSA-N	416.550	5.240	30	20	HKED	
CC(C)CCOc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1	465348795	YDDNFGBMIPKVKE-UHFFFAOYSA-N	404.466	5.407	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)o1	466679606	KLQYCNYRVLTUPI-JOCHJYFZSA-N	402.450	5.067	30	20	HKED	
CCc1c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cnn1-c1ccccc1	468188295	VJOZKQXVWWCGSZ-UHFFFAOYSA-N	422.488	5.138	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1Br	468770448	AVDQRENBSDGLMA-OAHLLOKOSA-N	412.331	5.205	30	20	HKED	
CCCCn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)n1	472569567	ZKOMCVREEAGCGO-UHFFFAOYSA-N	422.916	5.348	30	20	HKED	
N#Cc1ccc(C2(C(=O)N[C@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)cc1	474186217	VHGVQTWMXJVTMM-IBGZPJMESA-N	417.509	5.046	30	20	HKED	
N#Cc1cccc(OCCCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1	477531506	VAYURKLZIVWTAV-UHFFFAOYSA-N	415.522	5.194	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Cl)cc2Br)c1	478940992	VDWIZYBVOSFSEO-UHFFFAOYSA-N	407.695	5.162	30	20	HKED	
Cc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)c2cc(Br)ccc2n1	479572378	AHMYTNDNOYFIRB-UHFFFAOYSA-N	414.690	5.107	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)CC)nnc1-c1ccco1	481430981	HKDPJWSNAQQPGP-GOSISDBHSA-N	424.570	5.034	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	481444726	PVOVQJJPERBSIT-UHFFFAOYSA-N	424.501	5.108	30	20	HKED	
C=CCN(C(=O)c1cc(C)c(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	482562814	VACIPRVJJUSBHV-UHFFFAOYSA-N	415.421	5.138	30	20	HKED	
CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nccc3ccccc23)c1)c1ccccc1	483204103	SMWLAIZIDCEDRV-HSZRJFAPSA-N	405.457	5.001	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1ccccc1Cl	483323931	JSAROTHOLPDISB-GJZGRUSLSA-N	403.935	5.323	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1Cl	483654353	PFFNLYUJKXEXKS-AWEZNQCLSA-N	401.869	5.253	30	20	HKED	
O=[S@](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(C(F)(F)F)cc1F	487300866	RGIQEDLVMVZFGQ-AREMUKBSSA-N	402.306	5.451	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1	487614420	BXPZUSDVRIAPOJ-HSZRJFAPSA-N	415.468	5.243	30	20	HKED	
C=CCn1c(SCc2nc(O)c3cccc(C)c3n2)nnc1-c1cccc(Cl)c1	489633595	MRIJWCUVTAZFQA-UHFFFAOYSA-N	423.929	5.034	30	20	HKED	
N#Cc1ccc(Br)c(C[S@@](=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	491603508	DHNFVHVFUCCCJA-HSZRJFAPSA-N	422.653	5.301	30	20	HKED	
N#CC1(CCCN2CCCc3cccc(NC(=O)CC4CCCCC4)c32)CCOCC1	499545291	NOQGXWBVDBMZHA-UHFFFAOYSA-N	423.601	5.449	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	499854134	XWIYFZJMOMZPLH-JOCHJYFZSA-N	408.860	5.129	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)c(C(F)(F)F)c1	501597547	KXNCWSBIZPFCCA-AWEZNQCLSA-N	421.488	6.132	30	20	HKED	
CC(C)(CCC#N)CNC(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1	502604937	VWIQPJYCWFUABD-UHFFFAOYSA-N	401.860	5.020	30	20	HKED	
C=CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	502947242	RLIZXTMHIDRWAH-UHFFFAOYSA-N	424.265	5.451	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Oc2ccccc2)nc1	503461489	HDASLSYYGIYJKK-UHFFFAOYSA-N	405.457	5.343	30	20	HKED	
CCSc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	504711568	JXDWWPLISCCOJP-MRXNPFEDSA-N	406.507	5.333	30	20	HKED	
C=CCn1c(SCc2cc(Cl)cc3cccnc23)nnc1-c1ccccc1F	505852690	ZATUZYQTWNXLBK-UHFFFAOYSA-N	410.905	5.764	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)Cc1cccs1	506021858	NCZOCNNOTAIEBG-UHFFFAOYSA-N	401.532	5.217	30	20	HKED	
C=CCn1c(SC[C@@H](O)COc2ccccc2C(C)C)nnc1-c1cccc(C)c1	508392006	NFXJUNDFABPUKL-FQEVSTJZSA-N	423.582	5.095	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(C)cc2C)cc1	511005171	ZLANWEKBKBDFNN-HXUWFJFHSA-N	405.542	5.343	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	511836769	AJUNWNBPZBVSQF-UHFFFAOYSA-N	416.428	5.149	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	513263077	PNICFZNNYVUZLG-CQSZACIVSA-N	421.428	5.542	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3nc4cccnc4s3)cc2Cl)c1	513404669	NJWSKXAYTOCDNJ-UHFFFAOYSA-N	420.881	5.048	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1ccc(C(F)(F)F)cn1	513733865	XDWJARONLDTBAN-SECBINFHSA-N	421.575	5.145	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4[nH]c(C)c(C)c4c3)n2)cc1	517801084	XEKIWHCIUHSKGX-LJQANCHMSA-N	401.491	5.407	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1ccc(Cl)c(Cl)c1	518847808	FCENFPJJLXFSGC-MRXNPFEDSA-N	406.656	5.296	30	20	HKED	
Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3SC[C@H](C)C#N)co2)cc1	519449165	XQCRJESRWGMDEW-QGZVFWFLSA-N	420.538	5.266	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	519515590	NBEZGGMNEZZXTQ-CQSZACIVSA-N	411.914	5.570	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C1CC1	519728242	PFZAZQDISBVRSH-UHFFFAOYSA-N	416.550	5.692	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2ccc(F)cc12	520427701	VPVATEISQHKQLB-CYBMUJFWSA-N	412.392	5.772	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1	520854264	JMWRVXHRMWMIOH-QFIXIFRTSA-N	413.518	5.119	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1	521016178	OLAHEJZFAVXGCZ-BEFAXECRSA-N	404.432	5.286	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1N(C)Cc1ccccc1	521427115	JKNJSLPDLICRJR-UHFFFAOYSA-N	412.537	5.637	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)n1	522305607	YFVULNGLCSGCRI-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CC#N)C3CCCC3)c3cnn(C(C)C)c3n2)c(C)s1	523145800	NMALLWFIWGUACA-UHFFFAOYSA-N	421.570	5.266	30	20	HKED	
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	524767829	MZLXZNOCJMPEOL-ZEQRLZLVSA-N	414.505	5.529	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1Cl	530614340	FCFLMBYILLHSOW-INIZCTEOSA-N	415.707	6.555	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cc1	530722025	NJMNWWWNGOCRGE-UHFFFAOYSA-N	407.489	5.023	30	20	HKED	
N#C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(OC(F)(F)F)cc1	534333795	GVLRANHICKGXNB-MRXNPFEDSA-N	416.321	5.075	30	20	HKED	
C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	534487497	DGEKCMXPXBPPJV-UHFFFAOYSA-N	419.594	5.941	30	20	HKED	
C=C[C@H](CC(=O)N(CC)[C@@H](c1cccnc1)c1ccc(F)cc1F)c1ccccc1	536244307	OLXQTVXEUXVXHK-CJAUYULYSA-N	406.476	5.658	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)Cc2csc(-c3cccs3)n2)cc1	540198688	GVROTAPUAMNBSL-UHFFFAOYSA-N	415.543	5.269	30	20	HKED	
C=CCC[C@@H](Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)C1CC1	540835272	GZBSJMCMRZVYEP-OXJNMPFZSA-N	400.954	5.510	30	20	HKED	
CCc1noc(C2CCC(N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)n1	542105110	CZBCUEOHIOTVRK-HLFJOQDNSA-N	400.526	5.548	30	20	HKED	
COc1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1NC(C)=O	543033760	OAYAOQWNOVZKND-ZWKOTPCHSA-N	413.521	5.604	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCCCO1	543084145	IYBQUDNPLKRSPR-RYUDHWBXSA-N	423.275	5.013	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	546754584	UFQSUCUKVVCAHK-AEFFLSMTSA-N	408.926	5.159	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	546929905	PAPLEFNJNJJFKC-SSDOTTSWSA-N	418.288	5.070	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	547416107	HBVMYKMFVXWZFD-UHFFFAOYSA-N	416.264	5.100	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1	551087537	NCEXFSZDXHDWNI-UHFFFAOYSA-N	411.933	5.261	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccnc1Oc1cccc(C)c1C	554422828	QOOTXJTYXQFWFV-UHFFFAOYSA-N	421.497	5.186	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	559361454	HGZISINXZUFKQX-HNNXBMFYSA-N	417.421	5.010	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1	561127715	WODPTRMLKQSPBZ-LAUBAEHRSA-N	402.416	5.240	30	20	HKED	
CC(C)c1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n(-c2ccccc2)n1	570090253	JNBYQRHSBHEWSZ-GGAORHGYSA-N	413.525	5.299	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1cc(C)ccc1C	572709941	YSRWYVPEGNMFBP-HSZRJFAPSA-N	402.542	5.139	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1CC#N	583227605	WCEFDWMMPGEOLR-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)c1	589382074	IZIHWXPLHZXVSF-UHFFFAOYSA-N	415.415	5.407	30	20	HKED	
Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2ccc(C#N)cc12	590033158	MMIMHUYANYYESV-RYUDHWBXSA-N	420.378	5.284	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1ccc(F)cc1	592973854	KKGFVKKCRDWDNW-INIZCTEOSA-N	422.460	5.374	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1	604664948	HXMHUOFLCPIEGL-RUZDIDTESA-N	415.537	5.080	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2)cc1	607275123	ZGZPFFSTZSJQIH-IBGZPJMESA-N	412.449	5.541	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)cc1	609141260	RFEQAFBUFJMCNT-UHFFFAOYSA-N	408.929	5.093	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1	609252363	BVTBJRHHLUPSPO-SFHVURJKSA-N	407.411	5.303	30	20	HKED	
N#Cc1c(SCc2csc(-c3ccoc3)n2)nc2c(c1-c1ccco1)CCC2	609370619	IDABBHMEPDECFA-UHFFFAOYSA-N	405.504	5.711	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	609430827	BXHKLWPXKKNAIO-MRXNPFEDSA-N	421.591	6.002	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F	610240333	QAESANRNIZRUPX-BMIGLBTASA-N	401.215	5.497	30	20	HKED	
C[C@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1cccc(C#N)c1	610359190	GXFODUDVINUDOA-KRWDZBQOSA-N	404.897	5.211	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(OCC(F)(F)F)c1	622477702	IBFQPEHDGFVMIG-HNNXBMFYSA-N	409.301	5.190	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1	642501460	RNIRALHCIBHNRP-HDICACEKSA-N	411.571	5.086	30	20	HKED	
CN(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CCC(F)(F)CC1	672732441	HQZXUFYQECWGGQ-URLYPYJESA-N	410.349	5.115	30	20	HKED	
CC[C@@H](C)c1ccc(-c2cc(C(=O)[C@H](C#N)c3ccncn3)c3ccccc3n2)cc1	680617520	SQBWNTXQJJHONS-VGOFRKELSA-N	406.489	5.695	30	20	HKED	
O=C(/C=C/c1ccccc1-n1cncn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	726740383	DLKYCAIXZUGPIQ-AATRIKPKSA-N	411.305	5.201	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)cc(OC)c1OC	727654315	LCKQIHJJEKXFJS-DHZHZOJOSA-N	409.507	5.349	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1	730416867	JAZAJESNARUAPX-MRXNPFEDSA-N	407.495	5.286	30	20	HKED	
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	730528191	XOXZDSJALDQFQQ-FCHUYYIVSA-N	419.525	5.070	30	20	HKED	
N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1ccc2ccccc2n1	730917076	GEPFOJCJPONJAQ-NRFANRHFSA-N	408.457	5.069	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1	731064183	WZCWLASSYUYUOE-LBPRGKRZSA-N	423.321	5.183	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(OC(C)C)cc1	733081281	TUHMEKAXDCAZBK-UHFFFAOYSA-N	415.419	5.181	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1	733773035	MIAZIZXHSRACGR-QGZVFWFLSA-N	411.914	5.074	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1	736955219	GTWVYRCJCALBTA-CPJSRVTESA-N	413.496	5.578	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccccc3N3CCCCC3)c2)s1	740431624	VNPWEWCGECMRPE-UHFFFAOYSA-N	416.550	5.599	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)c2)s1	740479559	CHHAODVBFVJQTP-JTHBVZDNSA-N	417.534	5.006	30	20	HKED	
CCOc1c(OC)cc(/C=C2\C(=O)c3cccc(Br)c3[C@@H]2C)cc1OC	742435470	UICPWVVEXRGWME-CDCQXCROSA-N	417.299	5.248	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744035728	VHCCLRYLWSCSSC-LIRRHRJNSA-N	412.917	6.048	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)n1	747124507	UTCHWZUJZMNARM-SANMLTNESA-N	420.516	5.456	30	20	HKED	
COc1ccc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OCCCC#N	747361423	MERIRIPLLUHGMH-QBFSEMIESA-N	415.493	5.076	30	20	HKED	
CCCOc1ccc(C=NO[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC	747827459	NWXCFDYKKNRCDZ-CQSZACIVSA-N	415.877	5.299	30	20	HKED	
COc1ccc(OCc2nc(/C=C3\CCc4cc(SC)ccc4C3=O)cs2)cc1	748149038	YHSONYDBBQZTBX-LFIBNONCSA-N	423.559	5.665	30	20	HKED	
C#Cc1cccc(NC(=O)C(=O)N(Cc2ccc(-c3ccccc3C)s2)C(C)C)c1	748485772	BQCHMOVEFCETSR-UHFFFAOYSA-N	416.546	5.081	30	20	HKED	
C[C@@H](O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	749347851	BZRHAUCZCVSBFJ-ZHRRBRCNSA-N	419.912	5.370	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1C#N	752765326	MWURAVGNQDQTMI-UHFFFAOYSA-N	409.298	5.242	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)CC1	752841595	TXPHIGATJQKSDN-UHFFFAOYSA-N	424.545	5.183	30	20	HKED	
FC(F)(F)c1ccc(C#CCOc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc1	754275759	QSIPPFAOBVCRET-LJQANCHMSA-N	414.383	5.037	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C/c3csc(-c4ccc(Cl)cc4)n3)ccc21	754690397	UMBCPEPCXOYRBB-CSKARUKUSA-N	408.910	5.269	30	20	HKED	
Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2csc(-c3ccoc3)n2)CC1	760137941	LWRYNKSYHZXJDP-UHFFFAOYSA-N	407.495	5.163	30	20	HKED	
Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cnc(C2CCC2)s1	760227017	PVBNUQNJBABBNG-UHFFFAOYSA-N	410.355	5.147	30	20	HKED	
N#CC(CCn1nc(C2CC2)cc(C(F)(F)F)c1=O)(c1ccccc1)c1ccccc1	766068132	PEHYONWTIMDLFE-UHFFFAOYSA-N	423.438	5.039	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1	768308791	ZHMFWALPNKPVTO-UHFFFAOYSA-N	406.121	5.903	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccnc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	771265196	KZSJRPHEBGJXJC-QMAVJUDZSA-N	401.825	5.026	30	20	HKED	
C[C@@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc(OCC#N)cc1	774473897	XZYQANUNFPOAGM-GFCCVEGCSA-N	400.347	5.425	30	20	HKED	
C=CCN(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1	777843769	WGIHLGXMUSWQJD-UHFFFAOYSA-N	413.593	5.214	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(OCc2cccc(C#N)c2)c(F)c1	779596566	XUVWRBWTVBLGCN-UHFFFAOYSA-N	406.505	5.457	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1	781110105	FGZMSZYRBBNMFD-VURMDHGXSA-N	402.372	5.736	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(C)C)c(Cl)c2)cc1Cl	786446937	FIABHOGINOGVFC-HNNXBMFYSA-N	405.281	5.087	30	20	HKED	
Fc1ccc(-c2nc3c(s2)C(=NNc2nnc(-c4ccccn4)s2)CCC3)cc1	788029867	ICUACZHELLPIPZ-UHFFFAOYSA-N	422.514	5.015	30	20	HKED	
CCCCCOc1ccc(C=NOCc2ncc(Br)s2)cc1OC	788505391	VRSBDKDHBOOZEH-UHFFFAOYSA-N	413.337	5.034	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1	789717919	ASRWZKYDOODHGG-NRFANRHFSA-N	404.554	5.537	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nccc2ccccc12	792093442	IRJBVYSYBOKKBZ-SCLBCKFNSA-N	411.324	5.354	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2cc(C)c(Br)s2)cn1	792906515	QFWHYRBPWKIRDI-FPLPWBNLSA-N	415.312	5.181	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cnn(C3CCCC3)c2)ccc1OCC(F)(F)F	799896333	OGPQTDZOCBECSL-VQHVLOKHSA-N	408.420	5.234	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=O)Nc3ccccc3O[C@H](C)C#N)c2)cn1	801872343	PTXGCSDXCUUFIJ-MRXNPFEDSA-N	402.454	5.001	30	20	HKED	
N#CCCCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1	808013458	CPKLOSQUSMADHD-UHFFFAOYSA-N	401.850	5.240	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(OC(F)(F)F)cc1	813213630	KFLPCZIINZKUKI-AWEZNQCLSA-N	416.321	5.153	30	20	HKED	
C=C(C)CN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)SC1=S	814291058	YWPMUVCYTNYOKH-UDWIEESQSA-N	411.548	5.052	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H]2c2ccc(OC)cc2)c1=S	915836504	NXYRUOBVPXDMBH-OAQYLSRUSA-N	424.545	5.209	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C	916844819	DHNNPCQKMZITTL-MRXNPFEDSA-N	416.550	5.408	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc2ccccc2n1	916848125	BVZQVCQXQHIGJN-JOCHJYFZSA-N	414.468	5.578	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1sc2cc(Cl)ccc2c1Cl	916885500	YIOAWAOELGAHSU-CYBMUJFWSA-N	423.708	5.823	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3cccs3)oc2C)cc1	916915028	BAINWNBLCRLFCX-KRWDZBQOSA-N	407.495	5.015	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2cccs2)n(C2CC2)c1=S	917485359	MBOVRYJBSGEUDC-UHFFFAOYSA-N	412.584	5.132	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)n2)cc1	920139153	NZRNQSVCHJDWFD-OFQRWUPVSA-N	408.445	5.364	30	20	HKED	
C[C@H](C#N)OC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12	920705706	MKXWVUDZINORQS-FOQNGQEVSA-N	413.296	5.298	30	20	HKED	
Cc1sc(NC(=O)CN2CCCc3cc(C#N)ccc32)nc1-c1ccc(Cl)cc1	1473508146	XDNABJKGYCOHQF-UHFFFAOYSA-N	422.941	5.035	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1814829671	HYFDYWXWDJMDOV-HXUWFJFHSA-N	412.578	5.141	30	20	HKED	
COc1cc2c(cc1NCC(=O)Nc1cc(Cl)ccc1C#N)oc1ccccc12	11619206	QCJLRCPRXREVOX-UHFFFAOYSA-N	405.841	5.170	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2cccc(C)c2)cc1	14872469	TWNSRLYMCDCVSJ-UHFFFAOYSA-O	407.534	5.343	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1nnc(SCc2ccccc2)s1	43379473	UZZJQCLPMZNNIM-UHFFFAOYSA-N	402.570	5.112	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1	59005758	VBRJPVRKWBXZHQ-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
C=CCNc1nnc(SCc2cc(Cl)ccc2OCc2cccnc2)s1	59256334	NSPQZZILZNZXHJ-UHFFFAOYSA-N	404.948	5.056	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc1	60351425	ZTTMEZTXBIHANT-CQSZACIVSA-N	424.403	5.043	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2ccsc2)nc1N1CCC[C@@H]1c1ccsc1	302826925	HPINLTOTWOOBPY-WOJBJXKFSA-N	406.580	5.759	30	20	HKED	
N#Cc1ccc(C2(C(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)CC2)cc1	435951825	XXCYHVYCIVZHEW-ILPVEIHGSA-N	404.513	5.003	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)N[C@H](CCC#N)c1ccccc1	438855666	JVKFYGZMASOGGA-SIKLNZKXSA-N	403.551	6.066	30	20	HKED	
C[C@@H](CC(F)(F)F)NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444035828	SKOYXIRYSDAWBZ-GZMMTYOYSA-N	410.280	5.339	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c2ccccc21	444128097	YCDSSFXDEHYHHA-UHFFFAOYSA-N	421.913	5.369	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2n[nH]c(-c3cccc4ccccc34)n2)c2ccccc21	444751467	CTGQVHDEOFQQND-UHFFFAOYSA-N	420.476	5.136	30	20	HKED	
C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3ccccc3F)n2)CCCC1(C)C	444787665	YEPPWNGGUSRXGA-HXUWFJFHSA-N	401.551	5.534	30	20	HKED	
N#C[C@@H]1N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCC[C@]12CCCCO2	447910395	FMHOBXAMXUJNPT-AZUAARDMSA-N	421.488	5.256	30	20	HKED	
N#C[C@H]1N(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CCC[C@]12CCCCO2	448278976	QJSBSFNKVLJSQS-UYAOXDASSA-N	422.381	5.544	30	20	HKED	
COc1ccccc1[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1Cl	462138772	JHIBHVQAPFGUAV-WAIKUNEKSA-N	404.897	5.230	30	20	HKED	
C[C@@H](C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc(C#N)c1	462482705	IGSVSUKUZJLDDN-KUHUBIRLSA-N	405.498	5.118	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F	463778318	NMKKPPQASCPJKX-JTQLQIEISA-N	400.372	5.630	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1)C(F)(F)F	464475600	NXNCWKYJEXHEQH-AWEZNQCLSA-N	400.322	5.430	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1	464930898	IUHLJGOZCJBLKV-LJQANCHMSA-N	403.507	5.135	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4ccsc4)C3)c2)cc1	467570914	UZRXBULWWDRDQR-NRFANRHFSA-N	405.479	5.017	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)c1cccc(F)c1	468745590	BYUKMDPIKIRPPG-MRXNPFEDSA-N	402.425	5.337	30	20	HKED	
C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](c2ccsc2)O1	470695518	CCFIKQXUTIZLAE-JXFKEZNVSA-N	420.559	5.373	30	20	HKED	
CC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1	472025545	ONLHHLNPCZQFHW-SNVBAGLBSA-N	400.319	5.201	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc12	474427493	ATAOUIAFRRYARS-QGZVFWFLSA-N	420.563	5.525	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCOc1cccc(Br)c1	476788447	BUNOHCLVICLBME-UHFFFAOYSA-N	402.332	5.709	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCCc2cccnc21	480563117	JVTHBZAALVPQFL-XLIONFOSSA-N	408.571	5.797	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1C#N	480959853	JEUPYDFMSWOGBX-IBGZPJMESA-N	404.470	5.246	30	20	HKED	
C=C(C)[C@H](NCc1csc(-c2ccc(C(=O)OC)cc2)n1)c1ccc(F)c(F)c1	481605856	DYEJQHTWPBJLKP-FQEVSTJZSA-N	414.477	5.282	30	20	HKED	
Cc1ccccc1-c1noc(C)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	483494024	TVSBYHHSFPQWHD-HNNXBMFYSA-N	407.882	5.712	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C	486259553	YYMOFWPJAAOOKW-UHFFFAOYSA-N	413.593	5.837	30	20	HKED	
Cc1ccc(F)c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1Br	486463028	SASHNHWCDGTLKQ-MRXNPFEDSA-N	403.295	5.189	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1	487539073	GGLLYBFBSDPLOI-HSZRJFAPSA-N	412.493	5.496	30	20	HKED	
N#Cc1cccc(CNC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)c1	488050664	AFSRQMYWTFKMLI-UHFFFAOYSA-N	403.551	5.367	30	20	HKED	
N#Cc1c(F)cccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	488864072	YNYWJSXUZWXPHL-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1	489684576	JXURBABEGRFIRS-OAQYLSRUSA-N	411.534	5.173	30	20	HKED	
CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494236095	AXISUBZYJXQFCC-QFIPXVFZSA-N	405.542	5.764	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1	499309060	SEFDRONJXTYRRJ-UHFFFAOYSA-N	403.526	5.050	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(COC(C)C)cc1	500773113	RSGJNVOWXDONJD-UHFFFAOYSA-N	400.478	5.836	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1	505105910	XTCJGKLVWTUQLQ-HSZRJFAPSA-N	414.530	5.098	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	505924036	ZXOCSTAYEQQSFB-NRFANRHFSA-N	406.272	5.527	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)cc1	507718816	PAVCORLYRPVNDR-RTBURBONSA-N	404.407	5.205	30	20	HKED	
C=C[C@H](CC(=O)Nc1c(-c2ccc(Br)cc2)ncn1C)c1ccccc1	508341759	NXWARWWBHGJBRY-OAHLLOKOSA-N	410.315	5.148	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(CN2CCSCC2)cc1	508989158	WGBRCLIBZCMXJP-UHFFFAOYSA-N	419.575	5.088	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cc2c(ccc3ccccc32)o1	510513457	HJKCMDXJPBCGFD-MRXNPFEDSA-N	400.503	6.019	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C)N1CCCC[C@H]1C	510750183	SSGSCXDWWJXGOR-MOPGFXCFSA-N	406.530	5.043	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@H](CCc2ccccc2)c2ccccc2)cc1	511354002	UJDXCBXSPPSMNN-XMMPIXPASA-N	413.521	5.098	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1	511955917	HIBGSRLSRPCLLO-QZTJIDSGSA-N	404.407	5.518	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC4CCCC4)c3)n2)cc1	517503437	QSMGGWXWHOTQKB-OAQYLSRUSA-N	413.502	5.493	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	517603033	RCEZOEQOFCWELR-QGZVFWFLSA-N	407.480	5.581	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)nc1	517656677	PPFXLMYZGOVMJF-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
Cc1noc(Cl)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	519107115	RZLHVUSFUQIAAZ-GOSISDBHSA-N	414.292	5.517	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCOc1ccccc1F	520359394	IPXGLAWBSFJHPG-UHFFFAOYSA-N	406.432	5.147	30	20	HKED	
COCCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	520597935	LPURXRWTRMXRIM-UHFFFAOYSA-N	407.495	5.093	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1cccc(-c2cccs2)c1)c1ccccc1	521310570	LSKJVWDPNSBNCB-UHFFFAOYSA-N	403.507	5.081	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	521374283	XUPOQIVGDFRZGI-INIZCTEOSA-N	403.507	5.512	30	20	HKED	
C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccc2S1	521951588	KPKPPQJRPUFOEA-INIZCTEOSA-N	401.491	5.277	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2)n1	523485925	GMMYQGOUJSKIPT-MRXNPFEDSA-N	402.306	5.420	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)C1(C#N)CC(C)C1	532080857	BTXPAWBPXUIMSI-UHFFFAOYSA-N	404.489	5.610	30	20	HKED	
N#Cc1c(NC(=O)c2cccc([C@@H]3CCOC3)c2)sc2c1-c1ccccc1CC2	534914429	MKKTYHZPGPPOIN-GOSISDBHSA-N	400.503	5.142	30	20	HKED	
Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)sc1C	539113019	UHHGPYBDGNYWIM-UHFFFAOYSA-N	420.503	5.190	30	20	HKED	
CC(C)(C)[C@H](NCCC(=O)Nc1sccc1C#N)c1cccc(C(F)(F)F)c1	539301633	MITDOSHLEIJOPW-QGZVFWFLSA-N	409.477	5.344	30	20	HKED	
C=CCC[C@@H](NCc1csc(N(C(C)=O)C2CC2)n1)c1ccc(C(F)(F)F)cc1	540428158	OLZCGBURTWQXRD-LJQANCHMSA-N	423.504	5.474	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccc(F)cc1F	542935041	YXLDCTYXSOFASH-HOTGVXAUSA-N	405.448	5.181	30	20	HKED	
CCN(CC)CC1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	543015927	APDTXKHKKKHGPI-FQEVSTJZSA-N	418.585	5.050	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)CCC1	546127702	PBXGFBUBULWSLK-QGZVFWFLSA-N	409.555	5.190	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1Cl	548289859	YQSXOWFVNKSGJW-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCSc2ccccc2)cc1	548914668	VUAWZFIITFMSBW-UHFFFAOYSA-N	419.525	5.201	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccc(F)cc4)cc3C)n2)cc1	549421550	RNEQAIQKLYRKNB-IBGZPJMESA-N	416.481	5.242	30	20	HKED	
Cc1c(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)sc2ccc(C#N)cc12	550442359	ZBSJYVQTFSEFHC-MRXNPFEDSA-N	410.470	5.031	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1	553184250	AJRVCBLVYWEPEO-FQEVSTJZSA-N	421.928	5.606	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(c2ccsc2)CC1	555266943	LAEPZLQHJMVMHS-UHFFFAOYSA-N	408.571	5.017	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1	557699590	GNHLDIRNFIAABC-HNNXBMFYSA-N	422.531	5.781	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](NCc1ccc(Oc3ccccc3C(F)(F)F)nc1)CC2	564422671	CYJOSJDGBUAXBF-FQEVSTJZSA-N	409.411	5.541	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccco1	565965857	YWJCUKLRPGZPSH-GFCCVEGCSA-N	401.442	5.322	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1	569015418	IDCSYPUAJISTAW-FPOVZHCZSA-N	407.583	5.733	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)c2)c1	569297344	KKDCAJKBKKBVOI-UHFFFAOYSA-N	401.426	5.031	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)cc2Cl)c1	575097683	IZMTUBWKKCYTDP-QFIPXVFZSA-N	421.928	5.587	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccc(Cl)cc1	576502374	IHOHWFHCLFPDTO-IAGOWNOFSA-N	415.990	5.236	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)Cc1cccc(Br)c1	577621227	PCIVERLNZRGEAY-HXUWFJFHSA-N	411.343	5.104	30	20	HKED	
Cc1ccc(Oc2cc(-c3noc(C[C@@H](CC#N)c4ccccc4)n3)ccn2)cc1C	589098426	SBGDTBVEDZIGPF-HXUWFJFHSA-N	410.477	5.781	30	20	HKED	
CC(C)CN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(C#N)cc1	603528975	GRXKPAUTIRDFAC-UHFFFAOYSA-N	403.507	5.175	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)o1	603945906	KBSSWTBEVOLFSJ-UHFFFAOYSA-N	410.429	5.775	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OC1CCC1)c1nc2cc(C(F)(F)F)ccc2s1	605362807	VGLABSSDCNCNQT-HNNXBMFYSA-N	416.424	5.736	30	20	HKED	
N#Cc1ccsc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	609018523	DCYRHIFWIQSPLM-UHFFFAOYSA-N	404.426	5.092	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056248	LRYGEXIJTXOXGN-INIZCTEOSA-N	400.434	5.310	30	20	HKED	
CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1Cl	609067686	OBOKHVZCLKTQBB-UHFFFAOYSA-N	408.885	5.091	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	609205270	ODDYFUOLFKTMFP-UHFFFAOYSA-N	405.542	5.880	30	20	HKED	
N#Cc1ccc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(F)c1	609511877	REDAOZNCAHWQMG-HSZRJFAPSA-N	420.532	5.390	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3ccco3)c2)cc1	609641250	LYTZMUSDRKXOBN-RUZDIDTESA-N	408.457	5.250	30	20	HKED	
C[S@](=O)Cc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	609724583	BWUAHHITSPIACZ-LJAQVGFWSA-N	424.909	5.135	30	20	HKED	
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610104896	DTQXTNBMYRYJTE-OAQYLSRUSA-N	423.944	5.139	30	20	HKED	
C[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1F)C(=O)N(CCC#N)c1ccccc1	610139802	HTRYKYQAADWEPP-NLFFAJNJSA-N	415.512	5.034	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2c(cnn2C(F)F)c1	611497251	BOBSLKVGDXERNL-UHFFFAOYSA-N	404.376	5.348	30	20	HKED	
C[C@H](NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1	613791649	XNRWSAAXKAMAQS-IFXJQAMLSA-N	419.472	5.138	30	20	HKED	
Cc1cccc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)oc12	622283158	JAJKOJWHGCKUOD-ZDUSSCGKSA-N	400.381	5.860	30	20	HKED	
O=C(NC[C@H]1CCCC(F)(F)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	669664685	GOOVCTXKSLYTPZ-NNYUYHANSA-N	410.349	5.021	30	20	HKED	
Fc1ccc([C@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ncc[nH]2)cc1	682131009	OTEPZFPLWKRZRT-MXYBEHONSA-N	409.349	5.137	30	20	HKED	
COc1ccc(N=c2scc(-c3ccc(NC(C)=O)cc3)n2CCCCC#N)cc1	728776820	VJHUNTARWWBUTQ-UHFFFAOYSA-N	420.538	5.110	30	20	HKED	
COc1ccc2oc(C(=O)/C=C/c3cc(Br)c(O)c(OC)c3)c(C)c2c1	729151779	XRGSBWOIZWOBGS-GQCTYLIASA-N	417.255	5.123	30	20	HKED	
O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(OC(F)F)cc1	730950565	GARRLZQXJHQCDQ-XCVCLJGOSA-N	414.360	5.054	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)ccc2c1	734080917	ADFOSFBLDJGBGP-IZCBQFLQSA-N	411.486	5.257	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1	734706467	JFSNNTBBNQRUHN-ZDUSSCGKSA-N	421.374	6.332	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2occc2s1	737316658	LRUXLTXYFUDCQP-OAHLLOKOSA-N	402.431	5.248	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	737506511	KDXDPCDHSYRUJW-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
COc1ccc([C@H](NC(=O)/C=C/c2ccccc2C#N)c2ccccc2Cl)cc1	739657316	OQWNRXSGHFIMRF-ZHSJKAEUSA-N	402.881	5.139	30	20	HKED	
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	743096794	RCXHBUNJMGXRFO-FTJBHMTQSA-N	424.548	5.080	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)n1	747192797	ALJVCVMVIOFRAX-GFCCVEGCSA-N	423.485	5.704	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cc3ccccc3o2)c1=S	747466770	FXUZJOULKZDBIZ-UHFFFAOYSA-N	420.538	5.111	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)COc2cccc(C#N)c2)c(C(F)(F)F)c1	748656505	IENIQFUIKMESFW-ZDUSSCGKSA-N	408.445	5.485	30	20	HKED	
N#CCC[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1	749046574	YSISMUOKOXDKLG-FQEVSTJZSA-N	412.580	5.095	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C/c3ccc(Br)c(Cl)c3)cc2N1	754828930	SFYGEZBTLPHFGJ-DUXPYHPUSA-N	414.733	5.104	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C)c1ccccc1	757880960	OODIBLWPVCZWRZ-OAQYLSRUSA-N	421.541	5.330	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)c1	760457104	CYGYGCWPCXBMFY-UHFFFAOYSA-N	418.496	6.104	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)CCO2)c1	761844798	JLCBKOWYGBTOLF-HSZRJFAPSA-N	419.431	5.109	30	20	HKED	
N#CCc1ccccc1Cc1nc(-c2cccc(Oc3ccc(Cl)cc3)n2)no1	762299150	MMNKKVHURTWOHY-UHFFFAOYSA-N	402.841	5.234	30	20	HKED	
O=C(/C=C/c1ccc(OC(F)F)c(Cl)c1)c1cc(Br)ncc1F	762421747	KONVPDNKDLVTQU-HNQUOIGGSA-N	406.585	5.134	30	20	HKED	
N#C[C@@H](C(=O)CCc1cncc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	765589996	OECMVWARRZEGQO-KRWDZBQOSA-N	419.456	5.446	30	20	HKED	
CC(C)n1c([C@H]2CCCN2Cc2ccc(N(C)CCC#N)cc2)nc2ccccc21	769405404	VEFHNJUXNGERGQ-XMMPIXPASA-N	401.558	5.304	30	20	HKED	
COc1ccc(COCc2cccc(NCc3ccc(O[C@@H](C)C#N)cc3)c2)cc1	770542644	PSXWBJTUZHZWMI-IBGZPJMESA-N	402.494	5.315	30	20	HKED	
O=C(/C=C/c1cnc(C2CCC2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771100424	YKYBAWAFEXCWKA-IJDCCNJMSA-N	401.503	5.394	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3scnc3Br)c2C#N)C1	775611472	UPUBTZIVDMJOLS-VIFPVBQESA-N	424.389	5.242	30	20	HKED	
COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)OC2(C#N)CCC2)s1	776095296	AJVSBHRRNXAFDF-UHFFFAOYSA-N	419.506	5.094	30	20	HKED	
C#CCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	779845649	GZDKDJOUKFMKGV-UHFFFAOYSA-N	402.416	5.480	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)ccc1OC	781906299	XBDDPFBPBKOKHB-VGSWGCGISA-N	404.913	5.656	30	20	HKED	
COc1ccc2c(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc(=O)oc2c1	782232477	UMBHKXDBAVPFHI-KRWDZBQOSA-N	410.473	5.191	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCSc3ccc(OC)cc32)ccc1OC	783251848	MHZCLSFGBYMBFT-YLJYHZDGSA-N	412.555	5.102	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=S)Nc1c(Cl)ccc(C)c1Cl	783789727	QWUUKSZEDFSWQB-UHFFFAOYSA-N	410.326	5.008	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)nc2C(F)(F)F)nnc1-c1cccs1	786729514	VFTQTFYKGHWBBI-UHFFFAOYSA-N	416.881	5.552	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1cc(Br)c(Cl)s1	790226029	ZDQSDAWEDGPUPP-GQCTYLIASA-N	414.708	5.027	30	20	HKED	
CCOC1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCCC1	793128495	ZUJXDHXTZFSWQF-CQSZACIVSA-N	409.338	5.642	30	20	HKED	
CC(C)(C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1cc(F)cc(C#N)c1	803103446	UCQOZSMCWASFKA-MRXNPFEDSA-N	404.407	5.010	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1=S	812298646	PRLLCLCVJVOZJL-KGLIPLIRSA-N	416.538	5.339	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccccn1	915085083	FTPGYWCGVWSOPN-JOCHJYFZSA-N	421.504	5.298	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNCc2cccc3cccnc23)o1	915959249	KLYAXWKQZVAGMF-UHFFFAOYSA-N	407.477	5.113	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916681850	ZXTVMICCNNUYEI-KSFYIVLOSA-N	405.448	5.845	30	20	HKED	
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	916898075	SVGDRKDCFHXBOX-MRXNPFEDSA-N	421.349	5.493	30	20	HKED	
Fc1ccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1Cl	918722055	VRARZFNDEDNLMD-YUMQZZPRSA-N	408.770	5.239	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	920004111	TXRXOBLTODSEMK-UHFFFAOYSA-N	423.831	5.102	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccc(C(C)C)cc3)n2)cc1	920139076	NBCLNJIXKOBIRN-HXUWFJFHSA-N	422.575	5.911	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(C(C)C)ccc3C)n2)cc1	920139575	VHWKIUQOJGRTFR-FQEVSTJZSA-N	420.534	5.506	30	20	HKED	
CC(C)(C)c1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141465	OHZOBSUJOUKZOJ-NRFANRHFSA-N	413.546	5.788	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCC(F)(F)F)cc2)CCC1	1786623168	YXZBBMMORAQYQU-IBGZPJMESA-N	422.491	5.622	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccccn3)cc2)CCC1	1791941708	QBXWIGCCRZPHOM-KNQAVFIVSA-N	417.553	5.088	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccccc1	10170778	CWTZFRWFOHTIDE-UHFFFAOYSA-O	401.555	5.076	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccccc2CC)cc1	10174259	PEQKWNHVOVUPIK-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	44518971	GFKUMORMXOHGDV-GOEBONIOSA-N	403.404	5.361	30	20	HKED	
CCN(C(=O)c1ccc(N2CCc3ccccc3C2)cc1)[C@H](C)c1ccc(C#N)cc1	63927659	OIHNNTWMXMYHCU-HXUWFJFHSA-N	409.533	5.344	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccco2)Cc2ccco2)c1	65776458	QWUKFTDZAUSKPG-UHFFFAOYSA-N	412.445	5.166	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12	78669063	NFCSTPFFXNLMAQ-UHFFFAOYSA-N	415.543	6.221	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(-n2cccn2)cc1	237599785	LWNQVGCRHZEKBW-FQEVSTJZSA-N	408.505	5.174	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCc1cccc(C#N)c1	303318016	QPFYLWBJFIEBRA-CQSZACIVSA-N	410.930	5.204	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccccc1Cl	303458020	MYLSFUSYLLHPMK-AWEZNQCLSA-N	410.930	5.338	30	20	HKED	
CCc1nc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1	303577386	ZOTSIDPJQMVGSX-HNNXBMFYSA-N	407.564	5.360	30	20	HKED	
Cc1nc(CCCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1	426119994	MOUURYQOEUGNPI-UHFFFAOYSA-N	407.514	5.014	30	20	HKED	
COc1ccc(Br)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1	432912145	ARTLAPLYPAKJCF-MRXNPFEDSA-N	402.292	5.014	30	20	HKED	
C[C@H](NC(=O)CN[C@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1Cl	433013574	XZVGLBYIASHQNK-MGPUTAFESA-N	404.341	5.195	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(C(F)(F)F)cn1	434618113	XOZMMLLAYFGSDW-AWEZNQCLSA-N	419.309	5.056	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1	434662137	LBWFROJJZLJWQC-SFHVURJKSA-N	420.365	5.385	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1	435668427	YRLZUSSIFZOLEH-ZDUSSCGKSA-N	422.476	5.375	30	20	HKED	
CN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1cc(Cl)ccc1C#N	436002958	KNVFUZLUCLHHSN-UHFFFAOYSA-N	416.333	5.118	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3coc(-c4ccccc4)n3)cc2)cc1	438215007	LAZBVSMTQWCNLK-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
COc1ccc(CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1F	438661750	UMGCYXJLHGDPCM-UHFFFAOYSA-N	423.419	5.002	30	20	HKED	
O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)C1CC(F)(F)C1	440578677	GCALFRJUTBFVPS-UHFFFAOYSA-N	421.312	5.437	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(CCC(C)C)c1C	440787037	PPEMFZCQQNKTMD-UHFFFAOYSA-N	402.498	5.462	30	20	HKED	
N#Cc1ccc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1C(F)(F)F	443888558	ZDCKKTFERGILKS-UHFFFAOYSA-N	405.376	5.016	30	20	HKED	
C=CCn1c(S[C@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccccc1C	446061182	JYXLEYYUEIZDMM-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
Cc1sc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1-c1ccc(F)cc1	447118945	HVHMDENDCJWQRH-GOSISDBHSA-N	419.506	5.871	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1Cc2ccccc2[C@@H](c2ccccc2)C1	460951277	JTYQBWZSRKJEAC-WUMKDDEVSA-N	414.553	5.104	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1Cl	462268526	HUVSRKRZNGEDIU-UZKOGDIHSA-N	409.917	5.075	30	20	HKED	
FC(F)CN1CCC(N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	463267613	PYDDKNXWGKNKGP-CQSZACIVSA-N	404.345	5.018	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	467535235	ICZVJRIDHZPHJI-UHFFFAOYSA-N	407.489	5.123	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)co2)cc1	467705188	OJDJTOOVQINOKV-UHFFFAOYSA-N	424.460	5.636	30	20	HKED	
Cc1occc1-c1nnc(SCc2ccc(F)c(C#N)c2)n1Cc1ccccc1	468630695	OYUPVGVCXVMYCT-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
C[C@@H](O)C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1	469683575	MHDFGVIADIEEBQ-NQIIRXRSSA-N	415.493	5.027	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccccc1F)c1nccn1C	475547543	OMBNMWBLWRWUOR-JOCHJYFZSA-N	406.505	5.322	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl	476997380	BMAMTUOLYZTWIW-UHFFFAOYSA-N	408.933	5.642	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NC(=O)N(CCC#N)Cc1ccccn1	477977229	RSJOIPNLOFXXFF-UHFFFAOYSA-N	423.314	5.254	30	20	HKED	
CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N)CCC2	478808117	YTHIOWBHQAVTFM-WMLDXEAASA-N	414.600	5.641	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3Cl)cs2)nnc1-c1ccco1	478860253	YCLYWZCGXUGSST-UHFFFAOYSA-N	414.943	5.793	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccco1)c1ccc(Cl)cc1	482639386	UNCKCDIVQFRHHV-UHFFFAOYSA-N	424.884	5.206	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1nccc2ccccc12	483213301	BCWXJIWQFHFQMT-IBGZPJMESA-N	401.516	5.474	30	20	HKED	
CC(C)N(CC#Cc1ccccc1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F	484093776	FWOKKLWPRUYMDV-UHFFFAOYSA-N	408.851	5.059	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	484319956	TXOFMABLXFHIFC-SFHVURJKSA-N	400.478	5.278	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccccc1Sc1ccccc1C#N	484607785	REVDZTLRMRHBPJ-PBHICJAKSA-N	404.457	5.512	30	20	HKED	
CCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1cccc(Cl)c1	485335215	NIXSMYFLDYCFBH-IBGZPJMESA-N	407.905	5.255	30	20	HKED	
Fc1ccc([C@H](NCc2nc(-c3cccc(C(F)(F)F)c3)no2)C(F)(F)F)cc1	488224006	UXWCYAKDYQJGEA-HNNXBMFYSA-N	419.300	5.288	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)CC2)c1	489687762	OXXWMTWRQHNXJQ-UHFFFAOYSA-N	423.822	5.306	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccsc4)s3)n2)cc1	492120266	BJXIHHYWDMSFKP-HNNXBMFYSA-N	418.528	5.357	30	20	HKED	
Cc1c(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)sc2ccc(C#N)cc12	499494047	AUPJJAPHFHCIRY-QUCCMNQESA-N	408.498	5.213	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)s1	501116563	KJYFMEOVHVRJCK-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)cc1	501450260	GWCFANNKRLMTIY-UHFFFAOYSA-N	409.489	5.384	30	20	HKED	
CCC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	503677593	VBHUBFGHROWJIP-KRWDZBQOSA-N	423.582	5.023	30	20	HKED	
Cc1nc(NC(=O)c2ccc(CSc3ccccc3)cc2)sc1SCC#N	504819380	PVILFVQJZGKADM-UHFFFAOYSA-N	411.577	5.612	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cc(Cl)ccc3Cl)n2)cc1	505455834	RALJPQXBKWMXOA-AWEZNQCLSA-N	402.306	5.671	30	20	HKED	
COc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	507891717	IXEUTPNWUJPHJF-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c1C#N	510306755	UYWQIKZMYPLWKJ-NSHDSACASA-N	405.445	5.062	30	20	HKED	
CC(=O)N(c1nc(CSc2nnc(C)c(C)c2C#N)cs1)c1ccc(C)cc1C	511872968	DBWKTXONAYHBDF-UHFFFAOYSA-N	423.567	5.015	30	20	HKED	
CC[C@@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CSCC#N)sc2c1	512190893	CUHVDMFREJAVPT-MRXNPFEDSA-N	409.580	5.600	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1	512539110	ACPKVKBXHBJTDT-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N	512761918	KTKYZDCGEQERQI-UHFFFAOYSA-N	420.513	5.119	30	20	HKED	
Cc1cccc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C(F)(F)F)c1	512849681	AZTFWEYRGHRZQT-KDOFPFPSSA-N	407.461	5.814	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c1	513724507	KOEQNGWZMOJMGY-XMMPIXPASA-N	414.480	5.124	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccccc3SC[C@@H](C)C#N)[nH]c2c1	517472865	CZHMWLBDVKJHSY-OXJNMPFZSA-N	419.554	5.492	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N	518049044	JKLCKCDPJGAEFY-ZFWWWQNUSA-N	424.957	5.321	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)c1	518137271	ASSJSOVYXHMNDL-MRXNPFEDSA-N	407.564	5.552	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)Nc3ccccc3SCCC#N)cs2)cc1	519406873	BLFCRXOZYFTOBA-UHFFFAOYSA-N	423.563	5.855	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1C(F)(F)F	519434058	MGKMNRTZPWFXAW-UHFFFAOYSA-N	418.362	5.982	30	20	HKED	
COc1ccc(Cc2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1OC	520303540	XYIUQKHCEKJUKZ-UHFFFAOYSA-N	413.433	5.009	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)sc2c1CCC2	521620766	YEZNKNJODUCIJO-UHFFFAOYSA-N	416.474	5.691	30	20	HKED	
C=CCOc1ccc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1Cl	521830394	ZHLRPUALARTDMI-XMMPIXPASA-N	417.940	5.671	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccco1	522747254	VPXXIGQLNBIGRO-LBPRGKRZSA-N	413.890	5.281	30	20	HKED	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	523188802	FRIOVBXHVLBCIO-VWLOTQADSA-N	413.496	5.405	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(C3CC3)no2)cc1Cl	523528897	VPFRJDWRGNIYIR-LJQANCHMSA-N	420.900	5.217	30	20	HKED	
N#Cc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	524184514	PLHWETWCRQYSRM-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(-c3ccccc3Cl)n2)c1	524383234	TZMAFFBPWPRZOL-UHFFFAOYSA-N	405.813	5.189	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c(Cl)c1	532720724	NAWCIANATHHBED-UHFFFAOYSA-N	408.248	5.056	30	20	HKED	
CC[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1c(C)noc1C	533831985	ZMBVZSFNQZVUSW-HXUWFJFHSA-N	405.523	5.337	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1	537250971	DQDZXKKTFGZLKI-CQSZACIVSA-N	405.951	5.198	30	20	HKED	
COc1cccc([C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2cc(F)ccc2OC)c1	537407359	OQUJOEDBUKZRPG-OYLFLEFRSA-N	408.448	5.294	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ncccc1C(F)(F)F	538424571	NCXBBDKTTLECIE-GFCCVEGCSA-N	416.243	5.153	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1	540154710	VAIMKUKWBGXMPU-TYQWAMKFSA-N	418.581	5.306	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1COC(C)(C)C	540208741	LZJGVKZSHJCOIO-UHFFFAOYSA-N	415.493	5.621	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)CC3CCC(C(F)(F)F)CC3)n2)c(Cl)c1	544030086	YGRIAVOIMRZKAZ-UHFFFAOYSA-N	410.827	5.095	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C	546710412	KFYZNSRYMSJHGT-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
N#Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cnc1C(F)(F)F	549549855	CNXMCGFYOFSCQV-FQEVSTJZSA-N	421.378	5.238	30	20	HKED	
N#CCCN(C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(F)cc1	551935461	DHAUNBMPBIVPEE-UHFFFAOYSA-N	414.436	5.711	30	20	HKED	
CC1(C#N)CCN(C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1	552420905	YGDXTZCQIFNKRU-UHFFFAOYSA-N	422.381	5.547	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](C)c1c(F)cncc1F)c1ccc(C(F)(F)F)cc1	553992512	JGCAPKFUNPBBST-SJKOYZFVSA-N	413.390	5.446	30	20	HKED	
CC(=O)c1ccc(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	557197213	MMPQUSOQALYDIG-UHFFFAOYSA-N	421.312	5.338	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F	558278410	PTRFKPPPSVZSTM-UHFFFAOYSA-N	423.483	5.159	30	20	HKED	
COc1cc(CN[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)ccc1C#N	569159251	NZMGGIVCGHDAKN-QHCPKHFHSA-N	410.489	5.446	30	20	HKED	
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	574848287	YJUBBAOCFFIGAL-SFHVURJKSA-N	400.482	5.578	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)c1cc2ccccc2n1CC#N	589807308	JTTGNRBPUBFJSJ-UHFFFAOYSA-N	414.328	5.292	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2cnc(C)o2)cc1	606762954	XZLINSNWWXZHNS-UHFFFAOYSA-N	402.372	5.486	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608110391	WIMKUEQJZLSCBE-UYHMYPTGSA-N	413.377	5.420	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c1	609066235	NVUXHDRIMFQCLY-UHFFFAOYSA-N	410.395	5.603	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	609206844	HQLHWTREJDNINL-UHFFFAOYSA-N	414.509	5.541	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209640	FUYRLLUUAXGZHW-UHFFFAOYSA-N	408.461	5.442	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1	609304052	CARMHYOGGJQXPE-UHFFFAOYSA-N	414.465	5.059	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cnn1-c1cccc(Cl)c1	609460478	ALPGWJVWKZXKOO-SFHVURJKSA-N	419.699	5.136	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1csc(-c2ccccc2)n1	609682467	KFMCNEHFRJOIPY-HNNXBMFYSA-N	408.552	5.384	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc(Cl)c1Cl	609816356	IYNNONXVBPBVJF-CYBMUJFWSA-N	408.285	5.360	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1OC1CCCC1	610347981	FFLIDUDMULFZDK-IRXDYDNUSA-N	407.514	5.010	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCC2(c3ccccc3Br)CC2)c(Cl)c1	611094606	OUXBCROLLVZJNE-UHFFFAOYSA-N	424.125	5.089	30	20	HKED	
CC(C)(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)[nH]n1	613344933	WYYQUBSKONCPKN-LBPRGKRZSA-N	419.337	5.628	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(CC(F)(F)F)c3)cc2Cl)cc1	615720516	SIEDSKJUNAJUBF-UHFFFAOYSA-N	420.778	5.015	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1	618800383	FULPUPYOYZBEFH-PZJWPPBQSA-N	407.926	5.349	30	20	HKED	
CSc1ccccc1CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	619312554	XQDAIYYDLNGZPV-UHFFFAOYSA-N	404.495	5.131	30	20	HKED	
C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2ccccc2)C1	619819085	DAVWAMLKYWIZDE-MHZLTWQESA-N	421.548	5.200	30	20	HKED	
N#C[C@H](C(=O)c1csc(Cc2cccc(F)c2)n1)c1nc2cc(F)ccc2s1	679540178	IYBMVADIXDBSEI-CQSZACIVSA-N	411.458	5.112	30	20	HKED	
C=CCn1c(SCc2noc(-c3cccs3)n2)nnc1-c1ccc(Cl)cc1	680262689	UBPMIIYPBDGQNJ-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
CN(CCCNC(=S)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1	726461500	UGTCOANKGJAIJN-DEOSSOPVSA-N	414.578	5.155	30	20	HKED	
CCCCN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1Cl	726790000	NCPJEFGGYJFPIC-IBGZPJMESA-N	418.928	5.179	30	20	HKED	
N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccc4c(c3)CCC4)C2=O)c1	726801085	DDXFXGXEGIKIJL-STZFKDTASA-N	420.559	5.264	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3C)n2)cc1	727626655	FANQOJSMXMPROD-YWZLYKJASA-N	417.534	5.593	30	20	HKED	
Cc1ccc(C)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	727978703	LPMDKEHOHCKJTD-UHFFFAOYSA-N	401.535	5.871	30	20	HKED	
C#Cc1cccc(N(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)C(C)C)c1	728247479	FLAGSGCRHAMGNN-UHFFFAOYSA-N	424.544	5.115	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(C(F)F)c1	729187556	DXTDCGOMRYUKGL-SFHVURJKSA-N	406.388	5.378	30	20	HKED	
COc1ccccc1C/C(C)=C\C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	730170568	DJGLSCLWTFGEPS-RGEXLXHISA-N	412.489	5.273	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc1-c1ccccc1	730171386	UZEOIUWRKOXIID-DEOSSOPVSA-N	421.500	5.877	30	20	HKED	
CC(C)(C)n1cc(C=NNc2nncc3ccccc23)c(-c2ccccc2Cl)n1	731149085	IESOEKHRIHELNW-UHFFFAOYSA-N	404.905	5.348	30	20	HKED	
CN(C)[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	732269322	HTCFKMWFTZOCQC-PKTZIBPZSA-N	403.913	5.237	30	20	HKED	
CCN(C(=O)c1ccc(C=NOC)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	732964664	WNWMGSHVMYMNEH-RUZDIDTESA-N	415.537	5.437	30	20	HKED	
CCc1cccc(CC)c1NC(=O)CSCc1cc(Cl)ccc1OCC#N	735319837	FQBCFUZQLJEZRU-UHFFFAOYSA-N	402.947	5.239	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	739154989	OGCHXBSTBRIYMA-DYVFJYSZSA-N	403.309	5.397	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)cc1	741064737	KMSDGKDHIUUEBK-UHFFFAOYSA-N	410.477	5.048	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2SCC=C(C)C)ccc1OC	741187531	FVCJXJXXUOVGNL-IBGZPJMESA-N	424.566	5.364	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccncc1	741694265	XKRZECDHHGZSFZ-KRWDZBQOSA-N	414.292	5.623	30	20	HKED	
C[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	741902597	NUYARVGMZNKLMI-IERDGZPVSA-N	408.423	6.103	30	20	HKED	
Cc1ccc(-c2nc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)cs2)o1	742260909	FMFUMHBTLJDDTH-UHFFFAOYSA-N	419.481	5.913	30	20	HKED	
CCC(CC)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)SC	743114703	PGCZHZJEIFRJRJ-UHFFFAOYSA-N	411.571	5.375	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@@H](c2ccccc2)c2ccncc2)cc1OC	744963019	RZJPUCVUJXHBPP-BPDNEBHUSA-N	401.462	5.001	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c[nH]c3cc(C)ccc23)cc1	745948236	XSENEBDSANEXHB-JTSKRJEESA-N	401.510	5.270	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1cccc(F)c1)C1CCCC1)c1nc2ccccc2s1	746158090	VFVXZANIBNGEOO-IBGZPJMESA-N	407.514	5.056	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2C(F)(F)F)cc1	746660146	MTTVBKAOIWPBPT-FQEVSTJZSA-N	409.411	5.683	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2[C@H](CC)c2ccccc2)c1=S	746709664	ASHCNKOBTIJLOA-FGZHOGPDSA-N	419.598	5.278	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4ccc(F)cc4)CC3)s2)cc1	751999573	OSNPCWXTISIESX-UHFFFAOYSA-N	420.513	5.156	30	20	HKED	
N#Cc1ccc(SCc2nnc(-c3ccc(Br)s3)o2)c(Cl)c1	754718824	FNRHGWVLZGMVJT-UHFFFAOYSA-N	412.721	5.378	30	20	HKED	
C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(-c2ccc(Cl)cc2F)s1	756683412	HTTOXPCWZXYACM-AWEZNQCLSA-N	400.906	5.961	30	20	HKED	
CC[C@H](Cc1ccccc1Br)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	757902806	JYLVLWJRYNOALR-UKRRQHHQSA-N	405.361	5.474	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2c(F)cccc2Cl)cs1	769831274	XOHBPSRGPCGSGO-UHFFFAOYSA-N	423.300	5.720	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1)C(F)(F)F	774056790	YSGWEGPLUZENCG-LJQANCHMSA-N	424.422	5.641	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2cc(C)ccc2C)ccc1OC	779101408	NAUTXZNGEAOTIU-YIXXDRMTSA-N	414.549	5.872	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNc1cccc(OCC#N)c1	779586296	SUYJPEOEIKWKEJ-UHFFFAOYSA-N	420.822	5.367	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1	780162010	HYPVFFADVKFPRB-OPAMFIHVSA-N	406.869	5.390	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1	780678260	SGUKTYCDUOOSJR-ZHRRBRCNSA-N	405.885	5.542	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCC4)n2)cc1	783358254	ZLWZRERXYGVPRW-OAQYLSRUSA-N	414.530	5.447	30	20	HKED	
C[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)F)cc1)c1ccc(Cl)cc1Cl	787050233	BZGVIDYCODKNFQ-MEBBXXQBSA-N	411.235	5.131	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCc1ccc(C#N)c(Cl)c1	800896084	XBBJTYBTLDFBMU-UHFFFAOYSA-N	419.743	5.362	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	805858070	NCLZRZYKYRYGID-RDTXWAMCSA-N	404.420	5.035	30	20	HKED	
FC(F)(F)c1cscc1C=Nn1cnnc1SCc1ccc(Cl)cc1	811635750	KDICMMZXCKXDBR-UHFFFAOYSA-N	402.854	5.186	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1cc(C(F)(F)F)ccn1	813213324	KWRDKYCDUIEZJT-HNNXBMFYSA-N	423.232	5.161	30	20	HKED	
CN(C)c1ccc(C#N)cc1CNc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	864039480	VOQCQHRRGYLIPQ-AREMUKBSSA-N	424.548	5.214	30	20	HKED	
CC(=NNc1cccc(Br)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	914695245	LLCKCMVIAWDMKG-UHFFFAOYSA-N	421.360	5.002	30	20	HKED	
CCCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2ccc(C#N)cc2)c1=S	914783303	SJRLECVDYCUQEL-UHFFFAOYSA-N	411.962	5.106	30	20	HKED	
CCCOc1ccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915087981	FYVYUUGWPDOLJX-DEOSSOPVSA-N	400.478	5.148	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC([C@H](O)c2ccccc2)CC1	915342735	GMYGCYUGKPHSIO-AREMUKBSSA-N	410.517	5.064	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C=NNc3ccc(C(F)(F)F)cn3)c2Cl)cc1	915917482	DDMIPHNBSDABEL-UHFFFAOYSA-N	407.827	5.061	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1ccc(C(C)C)cc1	916906885	KTUNRLAJXFDMCK-NRFANRHFSA-N	408.567	5.374	30	20	HKED	
Cc1sc2ncn(N=Cc3ccccc3-c3ccccc3)c(=O)c2c1-c1ccccc1	917538709	MMVXXDVKJNPKTF-UHFFFAOYSA-N	421.525	5.983	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)s2)n1	920110096	YNFYBHCOKXGQFT-VIFPVBQESA-N	422.318	5.140	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1	1828010996	GNHYRDCQUIPMAR-CJFMBICVSA-N	418.581	5.285	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1CC=C	20066175	ZDZJHMCPUOCSNQ-UHFFFAOYSA-N	422.579	5.140	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2c(C)cccc2C(C)C)n1	21514564	MVLKZJXZDABHCN-UHFFFAOYSA-N	407.461	5.443	30	20	HKED	
CC(C)c1nnc(/N=C(\O)c2sc(-c3ccccc3)nc2-c2ccccc2)s1	21669713	PQKBABCWWGSFGP-UHFFFAOYSA-N	406.536	6.088	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)c(C)c2)cc1	22695567	XETYIVZMUYMOEG-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)sc3Cl)c2)c1	31776734	XMYHNXHZWHEVBN-UHFFFAOYSA-N	403.290	5.758	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)n1	41521605	SLOCZQZWPSJMQA-HNNXBMFYSA-N	412.927	5.304	30	20	HKED	
CC(C)OCc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	41548574	YNHVGWNZHCYSKK-INIZCTEOSA-N	418.440	5.730	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CSCC#N	41793122	IFBOFKNZHBNISV-PBHICJAKSA-N	409.942	5.113	30	20	HKED	
CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1	47446671	MMVLNZZXQFMLEC-LJQANCHMSA-N	411.505	5.342	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	97453811	LBVQMFYUULLCCR-MRXNPFEDSA-N	420.365	5.508	30	20	HKED	
COc1cc(/C=C2/CC/C(=C/c3ccc(SC)c(OC)c3)C2=O)ccc1SC	214923054	GAAPJGKGXCJTLU-WHYMJUELSA-N	412.576	5.978	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)C1CC1	303294030	BIPFEZDEXKLEKX-INIZCTEOSA-N	413.974	5.337	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	303612130	ORBKMJMEEQLDCK-UHFFFAOYSA-N	414.465	5.048	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cs1	303680687	RSDSMVIYTMYRQQ-CYBMUJFWSA-N	411.914	5.514	30	20	HKED	
CN(Cc1c(Cl)cccc1Cl)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428293405	HZWHSXONSAWKGQ-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc1Oc1cccnc1	428925873	XOKYIJTUCJKQFM-UHFFFAOYSA-N	423.476	5.212	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	432262045	JYHNZHBPUSDZGD-UHFFFAOYSA-N	422.594	5.564	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	437485731	SADJCJOSMOQYCN-JTSKRJEESA-N	415.493	5.514	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1	438074523	NBKGWAMFDVAHCL-PZJWPPBQSA-N	422.598	5.067	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCC3CCC(C#N)CC3)cc2Cl)c1	440975426	LZKAIWBUFHZWJE-UHFFFAOYSA-N	422.916	5.242	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c2ccccc21	444080884	BRHBYLWYOMRUAU-XMMPIXPASA-N	423.520	5.320	30	20	HKED	
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(CCCC#N)c2ccccc12	444266406	OJQZFNQTFXCWRF-UHFFFAOYSA-N	415.415	5.116	30	20	HKED	
CCCCCc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	446513736	WXERNGWVUIZGSG-QGZVFWFLSA-N	409.555	5.391	30	20	HKED	
C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1cccc(OC)c1	460786837	MUYQHNLQAMUOGO-FKBYEOEOSA-N	424.589	5.123	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1cccc(C)c1	464467731	OCJIBPYHEXURPB-QGZVFWFLSA-N	412.415	5.037	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	464473341	GVBFJYQPJXOKJR-SFHVURJKSA-N	424.382	5.234	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)cc2)o1	464788971	BDNSYHAMODDEQG-UHFFFAOYSA-N	424.460	5.524	30	20	HKED	
COc1cccc(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)c1	466125342	UIMLUESLXQOGDT-UHFFFAOYSA-N	413.521	5.354	30	20	HKED	
CCN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)[C@H](C)c1ccc(C#N)cc1	467294625	BDTFIPKWHGRGHM-OAHLLOKOSA-N	422.941	5.376	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1	467725697	NWLCSXURIQJZJY-UHFFFAOYSA-N	414.571	5.034	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)n1	474422464	UGZVVDOCDUMLNY-ZDUSSCGKSA-N	421.469	5.899	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	475762373	MUPGVUNEHFULTF-UHFFFAOYSA-N	417.456	5.765	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1	476787668	PUBRGHKKXOAAAU-UHFFFAOYSA-N	422.550	5.138	30	20	HKED	
Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	477102647	XQRRYIGVSICLBZ-MRXNPFEDSA-N	412.415	5.132	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1C(F)(F)F	477541558	YTWOCDICNFEPBF-UHFFFAOYSA-N	422.328	5.054	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c1	483197995	LTJRUZZFJWRJSL-QHCPKHFHSA-N	403.441	5.176	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccc2ccccc12	483209138	JLDIGFAIVPORQR-MRXNPFEDSA-N	408.301	5.762	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	487324264	PEQABSLBLFSLCK-MRXNPFEDSA-N	421.522	5.170	30	20	HKED	
CC(=O)c1cc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F	487364677	YWXOHKVQJFYMTI-HNNXBMFYSA-N	422.300	5.472	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)o2)cc1	489787602	NXFZZWGLLIHEGZ-CYBMUJFWSA-N	415.902	5.074	30	20	HKED	
Cc1nc(C)c(C#N)c(SCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)n1	494101427	WWAUMRPOHMSARC-UHFFFAOYSA-N	424.913	5.142	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)cc3Cl)cc(-c3cccs3)nc21	494582304	OHXXNVVZNVSKQA-UHFFFAOYSA-N	421.913	5.518	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(C3CCCC3)n2)cc1	494754075	UKFXAWFSOIKFRT-UHFFFAOYSA-N	422.575	5.454	30	20	HKED	
C[C@H](NC(=O)[C@H](C)[C@@H]1OCCc2sccc21)c1ccc(-c2cccc(C#N)c2)cc1	498947426	LRRWWMZLAIHOLA-KCYKTTMJSA-N	416.546	5.414	30	20	HKED	
C=CCc1cc(C(=O)N(C)c2ccc(Br)cc2Cl)cc(OC)c1OC	500768122	GHEQBWGOGQTQOD-UHFFFAOYSA-N	424.722	5.125	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1	501701843	MPUMQTLVSFTAAC-OAQYLSRUSA-N	412.967	5.412	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	502366332	NQKDLPRGBYCYHY-QRQCRPRQSA-N	408.860	5.024	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1F	506778455	SKUBGRLFXOCCQZ-UHFFFAOYSA-N	420.415	5.308	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccn2)cc1	506845262	QHLFDKDXXSEGDC-UHFFFAOYSA-N	404.426	5.002	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N3CCC(C)(C#N)CC3)cc2Cl)cc1	506898151	MEPCQAGLPUJHML-UHFFFAOYSA-N	415.946	5.657	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	507721264	AYWQAGDMOVXHNL-UHFFFAOYSA-N	403.501	5.171	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1Cl	510046733	XIORLEUOYFZELN-QFIPXVFZSA-N	419.912	5.022	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CCc2ccccc2C1	510727367	PQYZNNJKDOYIPW-FQEVSTJZSA-N	400.453	5.119	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3ccccc3F)o2)cc1	510945656	UAEYLXHXHAVLIZ-UHFFFAOYSA-N	402.347	5.162	30	20	HKED	
CCCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	511500178	QYXYNAOXWVOELH-UHFFFAOYSA-N	412.493	5.255	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(Cl)s1	511734131	KPHKSZNGHFEJBD-UHFFFAOYSA-N	404.900	5.175	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(Br)c1)c1nc(-c2ccncc2)cs1	511901868	JZHOQLDYMSIJIA-LBPRGKRZSA-N	418.703	5.111	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	513656077	XJUBXYKKRNFTQZ-MRXNPFEDSA-N	423.563	5.266	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCc3ccc(F)cc32)cc1	517357262	CLDRMLXPGLCLNQ-DEOSSOPVSA-N	417.459	5.236	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCSc1ccc(Br)cc1	517441478	YZEHVWKJCGXSLT-UHFFFAOYSA-N	421.385	5.576	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1cc(F)ccc1F	517451792	VQDJCDYPAZPQTI-ZIAGYGMSSA-N	406.523	5.792	30	20	HKED	
C=CCN(C(=O)c1cccc(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	518170248	SJDPXCCQBXEHEC-UHFFFAOYSA-N	411.530	6.013	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2ccccc2F)n1	519870665	QDRGBPTXFYUOKL-UHFFFAOYSA-N	420.513	5.027	30	20	HKED	
CC(C)(C)n1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1	520131026	GJISUVGPCJJDHH-IBGZPJMESA-N	407.905	5.591	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl	520593379	ZFAWCACUORSXCE-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	521332507	HBATWWPUEMBJBP-AOCRQIFASA-N	415.603	5.131	30	20	HKED	
CC[C@@](C)(NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nccs1	523495465	ACYCWXHSUYFDGL-OAQYLSRUSA-N	411.914	5.516	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	525342054	QROWXMIOAYFNJK-AWEZNQCLSA-N	420.559	5.513	30	20	HKED	
O=C(CCc1nc2cc(Cl)ccc2s1)NCC#Cc1ccc(C(F)(F)F)cc1	530738810	LSCBGZYGISNHKE-UHFFFAOYSA-N	422.859	5.069	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1	534802700	AOKUVVFKFAOHAT-UHFFFAOYSA-N	411.248	5.457	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C(F)F	535571705	WTWACFBDAAMGHN-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
CC(C)c1nc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1	535674469	FOYXCXAJBQXGFU-KSSFIOAISA-N	422.920	5.120	30	20	HKED	
C=C(CC)CSCC(=O)Nc1c(Br)cc(C)cc1Br	536880809	GJHQYPPGBFALAD-UHFFFAOYSA-N	407.171	5.158	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	537900630	WGGJYXPHVXIXNK-CQSZACIVSA-N	418.444	5.474	30	20	HKED	
COc1ccc([C@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1	539496224	JHVKIAZZDPNZAJ-VOIUYBSRSA-N	406.913	5.669	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C	541095893	OHGAPEDMWOOMTJ-OAHLLOKOSA-N	424.382	5.046	30	20	HKED	
CCCn1c(-c2ccc(OCc3c(C)noc3C)c(OC)c2)nc2cc(C#N)ccc21	550464667	WAUKYPIZIALXIE-UHFFFAOYSA-N	416.481	5.177	30	20	HKED	
N#Cc1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1Cl	552765528	KGFUPLREBPQEPM-LJQANCHMSA-N	422.834	5.128	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(-c2nc3ccccc3s2)o1	553106068	PERGSYMDYPVFSC-UHFFFAOYSA-N	420.538	5.552	30	20	HKED	
N#Cc1cccc(C2(NCc3c(-c4ccc(Cl)cc4)nc4sccn34)CC2)c1	560173966	IFOFGURUCHXGMQ-UHFFFAOYSA-N	404.926	5.367	30	20	HKED	
C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	573392089	KSAUFUIIQZKZGJ-QGZVFWFLSA-N	408.461	5.111	30	20	HKED	
C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC2(CCO2)CC1	575765505	VFYYAYCTVPMSCG-UHFFFAOYSA-N	424.545	5.148	30	20	HKED	
Cc1ccc(CN(Cc2cccs2)C(=O)NCCCCC#N)c(Br)c1	575895464	CHCNKHIVSULOPM-UHFFFAOYSA-N	420.376	5.225	30	20	HKED	
N#Cc1ccc(N2CCC(N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2)cc1	576367503	QFFZVFJDVLZUPX-VWLOTQADSA-N	416.956	5.149	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1noc(-c2ccc(Cl)cc2)n1	578802146	OGKXPKSZKLNOQM-YEIQHBHTSA-N	406.917	5.445	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CC3)cc2)ccn1	583594815	ONOUVGSKYKMXTI-UHFFFAOYSA-N	404.857	5.210	30	20	HKED	
COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)c(C#N)c2Cl)cc1	602759571	MPIQSRZVXMYQFH-OAQYLSRUSA-N	407.832	5.130	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(c2ccccc2)c2nc3ccccc3s2)cc1	603732478	NZPRVCXVBZLZOZ-UHFFFAOYSA-N	415.543	5.766	30	20	HKED	
C[C@@H](OCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603758801	IUWXSWRQOXTHDZ-VGOFRKELSA-N	404.897	5.539	30	20	HKED	
CN(Cc1cccc(O)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604090377	XFKKXCUIZGETNO-UHFFFAOYSA-N	407.857	5.373	30	20	HKED	
CC(C)c1ccc(C(C)(C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	609385606	BZCKETGJPSQVMA-SFHVURJKSA-N	409.599	5.668	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	609402915	HYJZSLQLOHOGIU-MJGOQNOKSA-N	418.566	5.831	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1	609435501	RQUKNHJILYBYEU-KBPBESRZSA-N	405.470	5.565	30	20	HKED	
C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	609451413	GQPBZJBDCDTQAJ-ZHRRBRCNSA-N	419.912	5.926	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3cccc(Br)c3CO)c2)c1	610910597	OAZKZRZWCYVYCL-UHFFFAOYSA-N	423.310	5.004	30	20	HKED	
COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	613345918	AKFCSIKHQGAEAO-HNNXBMFYSA-N	403.290	5.616	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@H]3CCc4cc(C#N)ccc43)cs2)cc1	618787836	OXHFCUSYPGAMBX-QFIPXVFZSA-N	401.535	5.151	30	20	HKED	
CCN(C(=O)NCc1ccc(C#N)c(Cl)c1)[C@H](C)c1cccc(C(F)(F)F)c1	619769315	ZUHUSSBEOHAAAU-CYBMUJFWSA-N	409.839	5.523	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C(F)F)cc1	726732130	AUBMORRNJGSZCK-SFHVURJKSA-N	406.388	5.378	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	727980471	MVUMSUQRRYOVJS-UHFFFAOYSA-N	417.534	5.733	30	20	HKED	
C=CCN(C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1)C(C)C	728122337	IGHDNTKYHOZYBF-UHFFFAOYSA-N	405.498	5.251	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNCCCc2ccccc2)cs1	729146233	PVZNIJIGGQOBSK-UHFFFAOYSA-N	406.555	5.001	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc3cc(F)ccc3s1)O[C@@H](C)C2	730418749	ZFOOVQFXMXJOEA-UNLYUMJVSA-N	422.481	5.047	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)s1	733081472	ZKVAOEBRDVQWBN-PLNGDYQASA-N	421.297	5.438	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)c1	733849259	YUBCHIAWXUHXKQ-CVDCTZTESA-N	419.525	5.619	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1nccn1Cc1ccccc1	734095794	UHGIBTAMTJFQPB-VAWYXSNFSA-N	403.482	5.399	30	20	HKED	
O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741841751	HLIDWWAXCBUMMM-RMKNXTFCSA-N	423.239	5.226	30	20	HKED	
C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	744036433	YSTCXADBJNNAOJ-NHYWBVRUSA-N	400.862	5.174	30	20	HKED	
CCCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	744060821	CGOYUKUJUFJQEF-NRFANRHFSA-N	415.518	5.280	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	744061479	LHFBQWLYYMIMEB-YWZLYKJASA-N	403.482	5.266	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744076159	ZZEOKBWYAYAQFE-HRLGVUPISA-N	418.509	5.638	30	20	HKED	
COc1ccc(/C=C2/COc3c(ccc(Cl)c3Cl)C2=O)cc1OCCCC#N	747361263	JNXHWJVHRWLWTB-UVTDQMKNSA-N	418.276	5.343	30	20	HKED	
N#Cc1csc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1	748662529	SVUUGNGVQUAFDN-MKMNVTDBSA-N	410.467	5.040	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2cccc(F)c2)s1	750934575	ZEFFALAXAHKCLL-UHFFFAOYSA-N	424.526	5.382	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)n1	751870890	SDYUXIMPTYUWCQ-HNNXBMFYSA-N	415.971	5.827	30	20	HKED	
COc1ccc(C=NOc2ccccc2C(F)(F)F)cc1OCc1ccccc1	754711756	AGNUIFXQCFIFPM-UHFFFAOYSA-N	401.384	5.706	30	20	HKED	
C=C(C)[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)OCC	756515251	LHMONZLKSYBAOH-KBXCAEBGSA-N	409.338	5.664	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)cc1	766615149	CDQOKRXTMLCNSH-SUMWQHHRSA-N	411.324	5.553	30	20	HKED	
COc1ccc(NC2CCC(C#N)(c3ccccc3)CC2)cc1OCC(F)(F)F	770402920	XUKWPVNAYFANNC-UHFFFAOYSA-N	404.432	5.452	30	20	HKED	
C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S	774590335	DNDNIBYRAYHUIZ-LJQANCHMSA-N	411.600	5.135	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	780170169	XGOPBAAUHFQEQM-OAHLLOKOSA-N	417.852	5.547	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1OCC	783339124	CEFVMJCOLTYHDG-LJQANCHMSA-N	402.494	5.186	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)c1nccc2ccccc12	792094686	PJGKBJNBTHTIQL-IBGZPJMESA-N	409.283	5.033	30	20	HKED	
CC(C)(CCC#N)COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	798877053	CWAGTZJBWBTCTD-UHFFFAOYSA-N	407.445	5.393	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2)NCc2cc(Cl)ccc2OCC#N)cc1	810076000	RWIAQCXKMSVLOJ-HSZRJFAPSA-N	406.913	5.325	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC	813222072	ZRYVSYUGTFXHBL-WOJBJXKFSA-N	400.563	5.513	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1OC	916848260	IHUUTMQLPYWRDJ-HXUWFJFHSA-N	402.494	5.693	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1	916974540	LIYDZCATNCNMMW-LJQANCHMSA-N	420.494	5.095	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	916974940	SCXPEOQBMFCXNR-XLIONFOSSA-N	404.535	5.887	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(C)c(Cl)c3)n2)cc1	920139582	VKUBPDXSDCXBIW-SFHVURJKSA-N	410.926	5.590	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920804036	JAINEQFRYXJXRL-BXUZGUMPSA-N	418.852	5.385	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCCO3)CCC2)cc1	1785840818	ITIYQWGJWUWHTD-OAQYLSRUSA-N	412.574	5.072	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)CCC1	1787384217	VDYIRRLDSDEJRX-FQEVSTJZSA-N	423.944	5.251	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)CCC1	1790397870	UHRJSKZGMYHIIF-SFHVURJKSA-N	415.537	5.057	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1	1831367124	FPNVAWJZJLCLHQ-GCJKJVERSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1ccccc1OC	6147779	ZFXZKIQGMSSDDX-UHFFFAOYSA-N	407.539	5.040	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1	9897044	UFCSCBMWJYVQPQ-UHFFFAOYSA-N	400.482	5.161	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(C(C)(C)C)cc1	22796531	NCTBJRTXVZWEEJ-UHFFFAOYSA-O	408.012	5.091	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)cc1	24033692	XLDBAFZUMRITNU-UHFFFAOYSA-O	411.550	5.741	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Br)cc3)c2)c1	32292050	QNVZABIITIIZAK-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1C1CC1	32324829	SMKFUJVHMQMUNH-MRXNPFEDSA-N	424.492	5.116	30	20	HKED	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	48125757	NNINJCMIYHLCII-INIZCTEOSA-N	416.456	5.175	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3coc(-c4cccs4)n3)c2)c1	64411881	CGSBJIJQMNNKQX-UHFFFAOYSA-N	401.491	5.144	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)Cc3cccnc3)c3ccccc3n2)cc1	98076127	BWCDXNFHPKRZFG-UHFFFAOYSA-N	406.489	5.161	30	20	HKED	
CC(=O)Nc1cc(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)ccc1F	236774319	HHZVVHUXYQVCJF-MRXNPFEDSA-N	424.316	5.268	30	20	HKED	
CSc1ccc([C@H](CNCC(C)(C)CCC#N)N2CCc3sccc3C2)cc1	237427606	FMINWOPOBQHHOL-NRFANRHFSA-N	413.656	5.489	30	20	HKED	
CN(C)Cc1nc(NCc2cc(C#N)ccc2F)c2c(-c3ccccc3)csc2n1	301416283	AWJJBKMXERYCQE-UHFFFAOYSA-N	417.513	5.043	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2cnc3cc(Cl)c(Cl)cc3n2)ccc1OC	302089878	LTRHACITHQZNHK-CYBMUJFWSA-N	417.296	5.238	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	303344903	MKMHPTAOAFPOOF-DEOSSOPVSA-N	413.477	5.728	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1[C@@H](C)c1ccccc1	303398945	ZPDZALMIQOSVEM-MOPGFXCFSA-N	417.578	6.361	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1cccs1)C1CC1	409479689	YARCPTBTTPIURP-SFHVURJKSA-N	423.351	5.499	30	20	HKED	
C[C@@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C1	410356077	VRDWZNLQNZCQAR-LJQANCHMSA-N	404.558	5.041	30	20	HKED	
N#CCCn1ncc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1-c1ccccc1	428520492	XBCYKOYQNPEYEW-UHFFFAOYSA-N	416.912	5.047	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc2cc(C(F)(F)F)ccc21	430622357	LGBFFFAKNJQEGU-CYBMUJFWSA-N	405.445	5.441	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1	431322440	WYZSOHZYYQDNAP-PWIZWCRZSA-N	402.325	5.584	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccc(Br)cc1Cl)c1ccccc1	431872565	POCYPNPBOGNASG-SFHVURJKSA-N	420.738	5.337	30	20	HKED	
Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1	431887159	KHYJJAFDXANBAR-KNQAVFIVSA-N	424.976	5.209	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	433431468	VJJKVXAUIYZPGS-AGXSTUJCSA-N	422.447	5.258	30	20	HKED	
Cc1c(CSC(C)C)cccc1NCc1cn(CCC#N)nc1-c1ccncc1	435127852	FEOLGEZXEOCHEX-UHFFFAOYSA-N	405.571	5.421	30	20	HKED	
CSc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438722764	LXVIHYYPFGKRAZ-UHFFFAOYSA-N	414.483	5.012	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc(Cl)ccc1N1CCSCC1)c1ccccc1	439378554	ZDRSXEGVCAYLPD-SFHVURJKSA-N	414.962	5.060	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1	442935457	SSCHFZWVGZYCCR-JWQCQUIFSA-N	412.489	5.160	30	20	HKED	
Cn1cc([C@@H](NCCC(C#N)(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cn1	444688535	ZOQHNHCKJWVYSJ-SANMLTNESA-N	424.523	5.138	30	20	HKED	
N#C[C@H]1N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC[C@@]12CCCCO2	448262763	ZRGUVEFPCDZXNM-SJORKVTESA-N	406.370	5.151	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1	462645057	HPRZLNXVMGAUKQ-OAQYLSRUSA-N	414.553	5.136	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H](C)c2cccc(C#N)c2)n1	464267500	LNEAGYMFVLLIBB-AWEZNQCLSA-N	408.889	5.202	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1	465432312	WQKJBMGODBWNSN-UHFFFAOYSA-N	416.330	5.168	30	20	HKED	
N#Cc1ccc(F)cc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1	469007563	RFCPPQLXNVIYOP-UHFFFAOYSA-N	410.257	5.258	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)o1	469238091	GFDKPPNMTDNXRT-JOCHJYFZSA-N	401.466	5.019	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H](c1ccccc1)C2	469766622	CZRAANJKTXMSRO-BVZFJXPGSA-N	411.505	5.137	30	20	HKED	
C[C@@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1	474075302	OAGIRYSYWIVUHR-IVZQSRNASA-N	424.317	5.489	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccccc1	475583789	NCHMELMGTVGQPA-CQSZACIVSA-N	414.943	5.369	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)c(Cl)c1	476975695	RECPRJNMKSYJHZ-YJBOKZPZSA-N	403.707	5.014	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc1	481595463	JCEWEXDVOQHDCF-UHFFFAOYSA-N	403.507	5.382	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCC(C(F)(F)F)CC1	482317944	JQIUIAPAJOVFKN-LBPRGKRZSA-N	422.291	5.293	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2cccc(COCCc3ccccc3)c2)cc1	483348830	HQBQQUAKFHCXJB-UHFFFAOYSA-N	402.519	5.048	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1ccc(Oc2ccccc2OCC)nc1	485750171	QZWHMUCHOWTPQB-UHFFFAOYSA-N	420.534	5.481	30	20	HKED	
Cc1cc(F)ccc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	486943539	VGWOEDQBSJQVMR-UHFFFAOYSA-N	417.484	5.557	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	489039954	FILSNIVIAXQFOW-KRWDZBQOSA-N	410.901	5.226	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)cc1	494236564	FACOULBDAXCLOO-GSLIJJQTSA-N	423.516	5.039	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)CC1	496752785	KLPVSAWKSCLVOB-UHFFFAOYSA-N	409.342	5.198	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)NCc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	497608503	RAQMZPZQNILPQK-CYBMUJFWSA-N	410.930	5.204	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1	500112500	OALLUWGPJNPCBB-JPYJTQIMSA-N	400.482	5.279	30	20	HKED	
COCc1c(C(=O)Nc2sc3c(c2C#N)CCCCC3)sc2cccc(F)c12	500254314	PPENLCSSOXSFDZ-UHFFFAOYSA-N	414.527	5.641	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1	505827855	SIGJCBKRLKIEMR-GOSISDBHSA-N	418.324	5.363	30	20	HKED	
Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)c1	506359392	PIKJTVIWAURWLA-XMMPIXPASA-N	407.464	5.104	30	20	HKED	
C[C@@H](Cc1ccccc1F)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	507819781	UGJKZJJFGRTMJH-KRWDZBQOSA-N	404.510	5.351	30	20	HKED	
COC1(c2noc([C@H](C)Oc3ccc(C#N)cc3)n2)CCC(c2ccccc2)CC1	508647706	ZJNDMZKPAZJSAD-QWMSRCPPSA-N	403.482	5.281	30	20	HKED	
CCc1cc(C#N)c(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)s1	508754813	OFMVZZSCRRPLCC-UHFFFAOYSA-N	421.469	5.506	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	509689616	VKEFVJGILURABU-UHFFFAOYSA-N	422.488	5.334	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	511394427	ALLDUPGMBMNBOY-AWEZNQCLSA-N	423.488	5.177	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1	511626040	GNRZOZDFGYSVMO-LJQANCHMSA-N	412.331	5.619	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Cl)c(Cl)c1	511728556	ZAMWUSJPPMTHAM-FQEVSTJZSA-N	424.287	5.240	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2)c1	511871453	CZGMACWOARFUNZ-KRWDZBQOSA-N	415.518	5.443	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1	513112810	FRJATSRPNQOUKE-SANMLTNESA-N	419.484	5.052	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1F	514294500	RBVFOHWMYIESQW-KRWDZBQOSA-N	424.545	5.315	30	20	HKED	
Cc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	515736467	JHSRPHANYXQAGN-INIZCTEOSA-N	405.885	5.752	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1	515790213	FHFJIPLHIMVDNC-KRWDZBQOSA-N	421.566	5.586	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1	517786583	QEMNZQQBYRKYTR-QFIPXVFZSA-N	410.514	5.383	30	20	HKED	
Cc1ccc(C)c2c(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)oc12	517801035	WBNCBQMZZORUEH-SFHVURJKSA-N	411.486	5.843	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)c3cccc(C#N)c3)cc12	518814885	ACSDNVWSQINAHE-UHFFFAOYSA-N	420.925	5.256	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCOc1cccc(Cl)c1Cl	519424947	MWNVFVLDGHONMS-AWEZNQCLSA-N	423.365	6.043	30	20	HKED	
C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C(C)(C)C)cs1	521635350	HXWKAORVYCMDED-INIZCTEOSA-N	419.550	5.382	30	20	HKED	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccccc2CC#N)c1	521675782	VLBPHFXGCSLIFX-UHFFFAOYSA-N	410.452	5.305	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	524100374	MKLZHJSGZWKDOZ-UHFFFAOYSA-N	407.495	5.496	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNc3c(C#N)nnc4ccccc34)c2)c1	524616118	OXMUEJIWBINHTN-UHFFFAOYSA-N	408.465	5.066	30	20	HKED	
N#CCc1ccnc(NC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)c1	531929468	LPAXEAAVJFUCJO-UHFFFAOYSA-N	400.240	5.513	30	20	HKED	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	533147179	BCOXCVBJMUARDE-INIZCTEOSA-N	404.491	5.119	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c(C)noc1C	533857412	KQYVDIKBOPWEJW-OAQYLSRUSA-N	418.497	5.209	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)c2)cc1	535417009	KLFXZYLJNGVNLT-UHFFFAOYSA-N	404.376	5.417	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	540453812	JBXRYJTYSRXOQY-HNNXBMFYSA-N	424.309	5.397	30	20	HKED	
N#Cc1cccc(-c2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)c1	547032589	LDEQVCSYEGGBIH-UHFFFAOYSA-N	403.445	5.187	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1Oc1ccncc1)c1nc2cc(Cl)ccc2s1	549415098	VNXQVYFBNBOBKH-MRXNPFEDSA-N	405.866	5.627	30	20	HKED	
CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@@H](CCCC#N)c1ccccc1	552083584	NPOQMRFHFILOIO-DEOSSOPVSA-N	400.570	5.754	30	20	HKED	
CN(C(=O)CC1(C(F)(F)F)CC1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	554736665	LASYOHQZDUDWOO-LBPRGKRZSA-N	407.276	5.500	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1NC(=O)c1ccccc1	555749375	SYBNFXUFJXVUAD-UHFFFAOYSA-N	417.534	5.730	30	20	HKED	
C=CCOc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1	558321989	WENUBVSTVJISFG-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccc(C)cc2)C1	558676236	FCFFHMRHJMCBSC-SGNDLWITSA-N	414.553	5.012	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	560711710	QGZIWNRQMRQORZ-UHFFFAOYSA-N	417.321	5.211	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cn1)c1ccccc1	581225551	OWSVSZYIEXUAPO-RDTXWAMCSA-N	411.383	5.125	30	20	HKED	
C=CCc1cc(C(=O)Nc2cc(Br)ccc2Cl)cc(OC)c1OC	589365842	PRDCHPZIBHFHEV-UHFFFAOYSA-N	410.695	5.101	30	20	HKED	
C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(-c2cccc(OC)c2OC)n1	603504162	MFSYNOJVDWXAFY-UHFFFAOYSA-N	412.467	5.043	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cs2)c1	604468197	LNEWMFALRRCGTD-CQSZACIVSA-N	407.564	5.358	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1C#N	609032523	KVAFVSKYEKAVDM-UHFFFAOYSA-N	422.407	5.087	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cccc(F)c1	609078758	MRUQWWJAWGKGNW-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
CN(C(=O)c1oc2ccccc2c1CSc1cccs1)c1ccc(C#N)cc1F	609216246	GGXVPCJERALCBR-UHFFFAOYSA-N	422.506	6.074	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)c(C)c2)c1	609228243	LGXQGGFAQRNEDP-LJQANCHMSA-N	400.478	5.160	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1	609398266	OWOIQSIQJRDFMX-ZIAGYGMSSA-N	422.381	6.470	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cs1	609414709	LTBCSWIINVHXQS-AWEZNQCLSA-N	418.305	5.120	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Cl)cc1Cl	609434891	YJZNGKZEMCBKPN-CYBMUJFWSA-N	408.354	6.052	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1	609435210	YHPDTGHFTWZPQY-XXBNENTESA-N	415.562	6.186	30	20	HKED	
Cc1cc(CN(C(=O)[C@H](C)Oc2ccccc2C#N)C2CCCC2)c2ccccc2n1	609482379	IHRSSRRQWYIFPV-IBGZPJMESA-N	413.521	5.154	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@H](CC(F)(F)F)c3ccccc3)c2)cc1	609642786	PGXNKMHYGXRHFZ-JOCHJYFZSA-N	424.422	5.561	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1SCc1ccc(C#N)cc1	609665249	DYLJHXUHDRMQSJ-CVDCTZTESA-N	412.558	5.869	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(F)c1	609693793	DCRCIFBHTIYCDG-ZDUSSCGKSA-N	410.436	5.983	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1	609909366	FAWJPIYCQVXAHF-SFHVURJKSA-N	418.443	5.334	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Oc2nccs2)c1)c1cccc(Cl)c1Cl	609911523	HWYGABIBPGERJV-HNNXBMFYSA-N	404.278	5.237	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)o1	610015856	TTXVEROZEVVGLU-OAQYLSRUSA-N	416.481	5.796	30	20	HKED	
C[C@@H](Nc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)c1cccc(C#N)c1	610340199	BIDQQURSIHQIHC-GFCCVEGCSA-N	409.280	5.143	30	20	HKED	
COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCc1ccnc(C#N)c1	610955702	VTRSXALRELBNOQ-UHFFFAOYSA-N	423.472	5.255	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	611553977	ZVVXBCBWCXWJJY-AWEZNQCLSA-N	415.471	5.336	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Cl)c4ccccc4n3C)n2)cc1	613318956	KMGNHXGTLNWIFN-INIZCTEOSA-N	405.910	5.754	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1	619655419	VDFJJMZCMHMCBK-OAHLLOKOSA-N	403.463	5.109	30	20	HKED	
N#CCCCCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1	619855097	QGJKCUKWJGDZOF-UHFFFAOYSA-N	419.392	5.999	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(O)cc1	642720197	TVXMDRMOTGBLLM-DYESRHJHSA-N	422.504	5.180	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1nc2cc(F)ccc2s1	673812129	RKZRBYUWNDWGDW-CQSZACIVSA-N	423.856	5.766	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnc2ccc(F)cc2c1	677515247	RDWAKILOLBXCJX-RYUDHWBXSA-N	408.317	5.013	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc2cc(Cl)ccc2s1	728765623	NDHWQZOJYVMIKB-UONOGXRCSA-N	408.832	5.862	30	20	HKED	
C[C@@H](CC#N)N(C)Cn1nc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n(C)c1=S	728902273	NBFGGZRLMWLYBC-GOEBONIOSA-N	417.648	5.022	30	20	HKED	
N#CCn1cc(NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)cn1	730215185	CMLXWVJBZLQEON-SFHVURJKSA-N	417.321	5.186	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cc1	730949036	PWHPZBZOTCXDBP-BAQGIRSFSA-N	405.381	5.073	30	20	HKED	
C#CCOc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1	730978039	GDDDFXFVBQNKQG-UHFFFAOYSA-N	415.276	5.232	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1	733850519	PSXWQHWEEQXISH-YKSBVNFPSA-N	416.525	5.286	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccncc1	734669500	QLUBFCKIVOGHIZ-NOZRDPDXSA-N	413.521	5.113	30	20	HKED	
O=C(/C=C\c1cc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)C(F)F)cc1	735231849	BQAIRPYMAXPYDL-FLIBITNWSA-N	404.459	5.308	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	739153431	BYTFNDZCIRSCLK-FOIQADDNSA-N	424.422	5.385	30	20	HKED	
CCc1cccc(CC)c1NC(=S)NCc1cccc(-c2ccc(C#N)s2)c1	739438268	VAXPYIXNZKUFIK-UHFFFAOYSA-N	405.592	5.898	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Cc3ccc(OCC#N)cc3)s2)cc1	739609662	CJTLVZPYSCVUPY-SFHVURJKSA-N	419.550	5.091	30	20	HKED	
C=CCN(C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C)C(C)C	740485860	MOORYPPUHMEMOT-AWEZNQCLSA-N	422.392	5.548	30	20	HKED	
COCCOc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3OC)cc2)cc1OC	741467452	LTOKVGFZRVDHES-GXDHUFHOSA-N	418.489	5.292	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1cccc(-c2ccncc2)c1	741472795	KGCMIKHYNBDLSH-AATRIKPKSA-N	412.470	5.497	30	20	HKED	
CCC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1c(C)nn(C)c1C	741836597	CHVGXUBSHBXPMV-UHFFFAOYSA-N	404.543	5.243	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036631	FIJNWUYZFSASBH-VWILAXROSA-N	412.436	6.109	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1cccc(O[C@@H](C#N)CC)c1	745821414	QKTWMCDPNRWQDB-XZOQPEGZSA-N	407.558	5.229	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1	747197298	XCTOCNLGDWUTKZ-ARFHVFGLSA-N	407.564	5.802	30	20	HKED	
N#CCOc1cccc(NC(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)c1	747244959	USHFJERJWLITDC-UHFFFAOYSA-N	423.517	5.001	30	20	HKED	
N#CCn1cc(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)cn1	747430290	MNZRHNPICVWUCM-UHFFFAOYSA-N	422.897	5.351	30	20	HKED	
CC[C@H](Oc1cccc(C)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	750692531	RXLRFMZHNZNNLI-FPOVZHCZSA-N	406.507	5.161	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCc2cc(SC(F)F)ccc21	753144790	RQIIVUNEUSHFTC-UVTDQMKNSA-N	400.475	5.732	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Br)c1	755136737	UYJRTUUJEKFCTE-FQEVSTJZSA-N	405.295	5.665	30	20	HKED	
Cc1nc2ccccc2c(=O)n1N=Cc1nc(-c2cc(Cl)ccc2Cl)cs1	755487280	NKHWECMHBIFRMX-UHFFFAOYSA-N	415.305	5.017	30	20	HKED	
CC(C)CN(CCC#N)Cc1nc(O)c2c(-c3ccccc3Cl)csc2n1	755669623	KOIWLKUSKMDPDH-UHFFFAOYSA-N	400.935	5.089	30	20	HKED	
C/C(=C/c1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	759183952	NVVMVHPLTLEDSG-CKDIWJPDSA-N	423.925	5.209	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cc(Cl)c1O	771100373	XTFGLAUNEUBSMW-GMNBZTITSA-N	420.864	5.037	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1	777288579	VIRRVESUIBNOKV-UHFFFAOYSA-N	420.557	5.290	30	20	HKED	
C=CCN(CCc1ccco1)Cn1nc(-c2ccncc2)n(C2CCCCC2)c1=S	778584103	AMBLZZCCXCBBTO-UHFFFAOYSA-N	423.586	5.262	30	20	HKED	
CO[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	780312914	MRENNTNEYCNNEM-HNAYVOBHSA-N	417.317	5.681	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F	780672541	GCLFKHVEKMAHJA-QLFBSQMISA-N	405.420	5.310	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1	780675216	OFALXDPLMJLFMC-CQSZACIVSA-N	403.404	5.197	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)c(Cl)n2)cc1C	782850505	SOPTUERJDVRCIM-UHFFFAOYSA-N	414.296	5.035	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)c2nccc3ccccc23)c1	792104771	YGHKPFASRKTQTH-HXUWFJFHSA-N	412.518	5.006	30	20	HKED	
CC(C)(C)OC(=O)N1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc21	793552252	UNMXXHFDTHXHSS-HXUWFJFHSA-N	419.525	5.252	30	20	HKED	
CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)O[C@@H](C)C2	797568331	PZYZWZXSOIMPQH-KDCQFRKDSA-N	410.539	5.052	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCSc1nc2ccccc2s1	804558812	LMFFVHAXYRGLQQ-UHFFFAOYSA-N	414.600	5.161	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3Cl)s2)ccc1OCC#N	915113419	OXTCKEJHUALCAI-SOFGYWHQSA-N	409.894	5.876	30	20	HKED	
COc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(OC)cc4)c23)cc1	916357183	DCWNGDCVZQQXHE-UHFFFAOYSA-N	404.495	5.212	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1	918331137	LEKVZHKQYKLHME-UHFFFAOYSA-N	408.461	5.232	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(Cc2cccs2)C(C)C)c1=S	919955257	UYYYFQVAPBKPRH-UHFFFAOYSA-N	402.564	5.336	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1	1786246150	TWERNKZTNLYCIQ-MRXNPFEDSA-N	404.501	5.158	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(C(C)(C)C)oc4C)cc3)CCC2)C1	1787389129	ICYFKQQWXBEWOL-UHFFFAOYSA-N	420.553	5.599	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC2)cc1)C(F)(F)F	1791305932	ZXXUONVNAIUUDW-KOMQPUFPSA-N	408.464	5.065	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C/C3CCCCC3)CC2)C1	1805457764	PMIPVXWNUXXWBT-BUHFOSPRSA-N	412.618	5.123	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccccc2)CC1	1824145102	BFHNRNUEOPJSLK-BWKNWUBXSA-N	422.613	5.178	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccccc1)[C@@H](C)CC	1847263396	HEPKRXRBSMNUEP-XXTHSBEZSA-N	410.602	5.011	30	20	HKED	
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1	21235482	HFUHCKFSNIGSFH-UHFFFAOYSA-N	424.595	5.271	30	20	HKED	
CCOc1ccc(Oc2ccc(N[C@@H](C)C(=O)NC3(C#N)CCCCC3)cc2)cc1	21820201	BDWUAXQRAJZOSY-SFHVURJKSA-N	407.514	5.021	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	29892103	QANRJXQOARLRRK-LBPRGKRZSA-N	417.412	5.107	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(C#N)cc1	33179195	YHGBBLMKPIBVBS-CQSZACIVSA-N	421.840	5.403	30	20	HKED	
CC(C)Cc1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1	58032740	JVRALISFYQRNFV-NSHDSACASA-N	403.479	5.233	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1	65680222	VRWNCYWXQGATKE-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
COc1ccc(CNC(C)(c2ccccc2)c2ccccc2)cc1OCCCC#N	237340116	NGYNYXWIZUWPPZ-UHFFFAOYSA-N	400.522	5.431	30	20	HKED	
N#CCCCOc1cccc(NCc2cc(Br)ccc2OC(F)F)c1	237804119	IVNGFKPICVXSFN-UHFFFAOYSA-N	411.246	5.345	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccco1)CC(F)(F)F	247875109	NNBPJKOLKSDKIR-UHFFFAOYSA-N	419.243	5.522	30	20	HKED	
CCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[C@@H](C)c1ccc(C#N)cc1	302933019	GLNWOCUKCZQHEA-INIZCTEOSA-N	418.518	5.281	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	410317990	VIGNLXCKCOGSFV-HXUWFJFHSA-N	413.521	5.398	30	20	HKED	
C=CCN(C(=O)c1ccc(F)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	428338530	QSFUYYBJFIIWIL-UHFFFAOYSA-N	417.849	5.344	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)s1	433522078	YKTMAVTYLCRWBR-UHFFFAOYSA-N	418.522	5.527	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1	435595369	BUCMBHDFNGCRRR-HLADLETHSA-N	418.562	5.823	30	20	HKED	
COc1ccc(-c2nnc(SCCCCC(C)(C)C#N)n2Cc2ccco2)cc1	436122875	JYECORZNRZUCSQ-UHFFFAOYSA-N	410.543	5.407	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cs1	438040694	JNTISOFZJQQRID-CABCVRRESA-N	418.588	5.156	30	20	HKED	
CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	439339043	HPRFMUNISPPWNU-MBSDFSHPSA-N	411.571	5.276	30	20	HKED	
C[C@H](Nc1ccccc1NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1	443535624	UQIZODKEUUQSJO-HNNXBMFYSA-N	411.914	5.186	30	20	HKED	
C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CCCC1(C)C	444778131	HQAJCVNGKOKOCU-FQEVSTJZSA-N	401.551	5.534	30	20	HKED	
CC(C)[C@H](CC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	446707232	QGDBHXPMMUFTBY-FQEVSTJZSA-N	421.438	5.386	30	20	HKED	
C[C@H](C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc(C#N)c1	462482706	IGSVSUKUZJLDDN-LIRRHRJNSA-N	405.498	5.118	30	20	HKED	
N#Cc1cccc(OC2CCN(c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1	462826556	PUZAGCYJLFLOSG-UHFFFAOYSA-N	403.429	5.235	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F	464829601	MJPPOVXGYDKLLZ-VQIMIIECSA-N	421.850	5.069	30	20	HKED	
Cc1ccc2nc(CNC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)[nH]c2c1	465188077	TZPOTVGDKVXAJK-UHFFFAOYSA-N	416.868	5.119	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCCc3cccc(C#N)c3)s2)cc1	466826489	QXBDLDRYLLHIID-SFHVURJKSA-N	418.566	5.244	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	468979875	NSIAFLOAHFXXAD-UHFFFAOYSA-N	415.280	5.185	30	20	HKED	
CCCc1c(NC(=O)c2ccccc2CSCC)cnn1-c1cccc(C#N)c1	468989183	ODLQHENIKYRDIC-UHFFFAOYSA-N	404.539	5.202	30	20	HKED	
CC(C)c1ccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2cccs2)cc1	471621209	MTYKJSMSAJVVOJ-HSZRJFAPSA-N	414.534	5.672	30	20	HKED	
Cc1c(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cccc1C(F)(F)F	473804195	FLPKMRCNGGTGJQ-UHFFFAOYSA-N	408.264	5.362	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC(C)C)c1	474969999	QOLHDBLPDGGUNE-OAHLLOKOSA-N	400.887	5.236	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(F)c(F)c1	475659188	GSPWEJUPMUUCAE-GOSISDBHSA-N	416.449	5.227	30	20	HKED	
N#CC[C@H](CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1	475801611	QDJYIPDBRLXJEF-MRXNPFEDSA-N	413.449	5.438	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1ccccc1)C2	476331709	CCFSRORRANENHV-BVAGGSTKSA-N	410.517	5.409	30	20	HKED	
Cc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)c2ccc(Br)cc2n1	479574259	CPBUVNIGQQTVSS-UHFFFAOYSA-N	414.690	5.107	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	480536222	BPOUWIXUDHXXKI-AWEZNQCLSA-N	405.976	5.873	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3NCc3ccco3)s2)cc1	481878770	IKANZLIRCCWUSM-UHFFFAOYSA-N	414.490	5.063	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccncc1	484484923	AKEWVFQBPAQNQT-ZDUSSCGKSA-N	424.530	5.037	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1	484656308	RMPSYCLTUCLBGV-UHFFFAOYSA-N	415.541	5.311	30	20	HKED	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)c(C)c1	486694748	DYHFQGWHBIMNOQ-INIZCTEOSA-N	403.448	5.125	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(OCC(F)(F)F)cc2)nnc1-c1ccncc1	489414320	ZKRJTCZYKLWPCW-UHFFFAOYSA-N	420.460	5.150	30	20	HKED	
COc1cc(Br)cc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	499896969	SKKYDDQCVLGYON-GFCCVEGCSA-N	420.332	5.353	30	20	HKED	
C=CCn1c(SCc2c(C(=O)OC)oc3ccccc23)nnc1-c1ccccc1F	501577990	ADJHITDMNQMQKQ-UHFFFAOYSA-N	423.469	5.095	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCC2(c3cccc(Cl)c3)CCOCC2)CC1	507662126	ZPUWMFLTTPIRJN-UHFFFAOYSA-N	408.973	5.382	30	20	HKED	
C=CCC[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1	507769226	JADULJKVMDCDCU-IBGZPJMESA-N	417.534	5.383	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cn1	509247817	QIEGVLHXMAORNC-UHFFFAOYSA-N	414.534	5.347	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c(C#N)c1C	511829778	LYQOAWJLBRUHKF-BOFPYLFWSA-N	419.447	5.040	30	20	HKED	
N#Cc1ccc(CSCc2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)cc1	512042453	UIAKWQUGWLYWIM-QGZVFWFLSA-N	407.392	5.452	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1	512800591	DVWVALHLWOMHAC-UHFFFAOYSA-N	418.971	5.291	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)o1	513655300	QFMBGXMOPFYNEQ-KRWDZBQOSA-N	424.485	5.541	30	20	HKED	
CC(C)(C)c1nc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2[nH]1	514039804	PBYZGZSKMVCVTQ-UHFFFAOYSA-N	414.465	5.156	30	20	HKED	
CCc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	514061450	HABZNPQAJWCQTO-UHFFFAOYSA-N	407.514	5.233	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc(Cl)ccc2s1	515540431	TUOVAHOZXWQERR-GFCCVEGCSA-N	413.867	5.563	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Oc1ccc(F)c(F)c1	520099434	JCGFVDLCPBGDFY-MRXNPFEDSA-N	424.422	5.285	30	20	HKED	
C[C@@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OC(F)(F)F)cc1	520472879	UYXYRMLLNJSKHX-LLVKDONJSA-N	414.836	5.543	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1cc(Cl)cc(Cl)c1	520940564	XWPSVXPWHYJQNN-ZDUSSCGKSA-N	408.354	5.752	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cc1	522233115	ATOAUJBKFPPAED-FOIQADDNSA-N	417.465	5.397	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4nccs4)CCCC3)cc2)cc1	522621533	CXYIZODITILPGV-UHFFFAOYSA-N	404.495	5.398	30	20	HKED	
C[C@H]1SCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H]1c1ccccc1	522794597	HEMUFJXAKJXQCQ-UZUQRXQVSA-N	418.518	5.049	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1	522830702	QWRSXVXKAAUDQG-HNNXBMFYSA-N	406.898	5.447	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)CC1	524150525	LWSYCVFUOJHSBX-UHFFFAOYSA-N	423.944	5.249	30	20	HKED	
Cc1cccc2c(CCC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c[nH]c12	525539641	LTUWGIXRNZJACK-UHFFFAOYSA-N	422.488	5.172	30	20	HKED	
CCCc1c(NC(=O)c2ccnc(Oc3ccccc3)c2)cnn1-c1cccc(C#N)c1	527385824	GOSYCAIMUQORCK-UHFFFAOYSA-N	423.476	5.136	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1-c1ccccn1	533647724	GISQISDVASKSIW-INIZCTEOSA-N	403.507	5.404	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1	534173565	JGPZQZWPNFUAEN-ZHRRBRCNSA-N	402.881	5.056	30	20	HKED	
CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	537254663	MKMZUOHVKJFGBD-UHFFFAOYSA-N	415.493	5.156	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1F	537427758	UUVSBVRMRNWCLH-UHFFFAOYSA-N	402.425	5.434	30	20	HKED	
Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(C#N)c(F)c3)c(C(F)(F)F)c2)n1	539606879	SULVYXWHXDZMNW-HNNXBMFYSA-N	416.422	5.370	30	20	HKED	
COc1cccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)[nH]2)c1	540079578	JNXBAGMXOBZNBN-GOSISDBHSA-N	414.490	5.007	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)n1	540098571	HINPYOVNENKXHR-GFCCVEGCSA-N	405.310	5.249	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C	540855242	MRGWZPKKYLQRKP-QGZVFWFLSA-N	402.498	5.174	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)Nc1ccc(F)cc1OCC(F)(F)F	542149149	WTAVXLFORTVQSZ-UHFFFAOYSA-N	401.322	5.464	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2cccc3ccccc23)C1	542954755	GBVQQFARFQLCFQ-GOSISDBHSA-N	413.546	6.023	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1	545316326	VEMGSAMEABEUGP-CQSZACIVSA-N	422.712	5.252	30	20	HKED	
Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc1NC(=O)Nc1ccccc1	550743303	GNMCPDTWSLJBNN-DEOSSOPVSA-N	404.514	5.231	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(F)cc2F)CCCC1	551367330	GDNMPLJXGUKYHW-HNNXBMFYSA-N	400.494	5.667	30	20	HKED	
N#Cc1ccc(C(=O)CNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc1	552318664	IIEWNJOWFAAASL-UHFFFAOYSA-N	422.815	5.058	30	20	HKED	
C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1ccc(Cl)cc1	554932950	PWZGIZNPYXMKTK-IBGZPJMESA-N	424.932	5.143	30	20	HKED	
C[C@@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1Br	557203615	PQKZDWMTSVGNLV-LLVKDONJSA-N	409.736	5.407	30	20	HKED	
Cc1ccc([C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccc(F)cc2Cl)cc1	557587334	AJYZTGMSDGIXIG-HSZRJFAPSA-N	421.903	5.590	30	20	HKED	
Cc1c([C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)oc2ccccc12	558657130	MZOMXLAOLNZLGQ-JOCHJYFZSA-N	416.525	5.100	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)CCCCC4=O)n2)cc1	562163089	DGQCXDMJCHHJDD-HXUWFJFHSA-N	411.486	5.081	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC=C(c3ccncc3)C2)cc1	566381418	JPNNXVNAYBVDPS-UHFFFAOYSA-N	411.530	5.175	30	20	HKED	
N#Cc1ccccc1OCc1cccc(-c2nc(-c3cc(O)nc4ccccc34)no2)c1	579577639	JECCREGFRIGFHA-UHFFFAOYSA-N	420.428	5.108	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1Cl	603454502	JBSOKKTTWUDFBZ-UHFFFAOYSA-N	419.893	5.897	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(-c2csc(C)n2)s1	603802616	IVUZFMSMNNAWIS-UHFFFAOYSA-N	424.595	5.216	30	20	HKED	
N#CCc1ccc(NC(=O)CNC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	604008772	BRROWOQIMOMEBF-UHFFFAOYSA-N	424.331	5.377	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Nc4ccccn4)n3)n2)cc1	606145035	GWOAWVDJLOTPQT-HNNXBMFYSA-N	417.519	5.204	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)c1ccccc1	608254341	NGPKEZUCDURSJI-MRXNPFEDSA-N	402.425	5.337	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1	608917959	GBAOLCQTNPFMDZ-UHFFFAOYSA-N	418.472	5.005	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1C#N	609033302	RGRPSTHKEZSPCM-UHFFFAOYSA-N	423.519	5.802	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1	609378044	VFBAKJQGMJZPND-GOSISDBHSA-N	418.587	6.483	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccs1)C[C@H]1CCCO1	609402808	BDPDTNGKCXSQJM-IAGOWNOFSA-N	415.584	5.213	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCOc2ccccc2-c2ccccc2)cc1	609413755	DFZZDAISIPHZDW-UHFFFAOYSA-N	414.505	5.468	30	20	HKED	
Cc1cccc2sc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)c(Cl)c12	609569434	GWAUQFKSLPWZHH-UHFFFAOYSA-N	412.898	5.195	30	20	HKED	
CC(C)OCc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	609601368	KNEFNQAZYCZLLO-UHFFFAOYSA-N	402.454	5.315	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3scnc3-c3ccccc3)c2)c1	609643597	MMSMTETZOQKAFX-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCCC[C@@H]1c1ccco1	609928770	JLKWMGRJYHEZHX-HSZRJFAPSA-N	415.493	6.401	30	20	HKED	
CO[C@@H](C)CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(C)C	610141105	FZKOZJLSDCNPFU-HNNXBMFYSA-N	401.894	5.281	30	20	HKED	
CCc1ccc(N(C(C)=O)c2nc(CSc3ccc(C#N)cc3F)cs2)cc1	610164828	ZJIBMUPXABRQCL-UHFFFAOYSA-N	411.527	5.693	30	20	HKED	
CC(C)(C#N)CCCN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	610447988	ZZRHJBANLUMNSY-HSZRJFAPSA-N	410.606	5.505	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)C1	612233765	URVLNLJEFBZLCD-HSZRJFAPSA-N	408.885	5.431	30	20	HKED	
CC(C)(c1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1)C(F)(F)F	617650014	SEYPKSRZPOPCOA-UHFFFAOYSA-N	401.215	5.957	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1	618735755	OLDNDQJFZLLDEC-HXUWFJFHSA-N	409.917	5.004	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	622566825	YYVAGJJQQMNBKB-HWPZZCPQSA-N	407.329	5.285	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	673812086	PKADVHGWFLXBHL-OPVYADIMSA-N	417.481	5.335	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(Cc2cccc(F)c2)CCC1	681270976	FSOOYJPMVNVVKT-OKILXGFUSA-N	411.361	5.128	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726074156	MMUJNJOEVNXMGN-XMMPIXPASA-N	417.940	6.438	30	20	HKED	
CCOc1ccccc1[C@H](CC)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726074595	RYFIZDYXDBVWJA-ZEQRLZLVSA-N	413.521	6.014	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3cnc(-c4ccccc4)s3)cc2c1C	727263663	HBDOXTUELFYUBK-HJWRWDBZSA-N	420.515	5.411	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2ccccc2Cl)n1	727294703	HLKUAORTPRSAKA-UHFFFAOYSA-N	405.262	5.216	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc(-n2cncn2)cc1	727655285	VBGIWBDMKKBOAS-NYYWCZLTSA-N	406.898	5.249	30	20	HKED	
CCc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C	728062362	KAWOPNHJOTZCIZ-IBGZPJMESA-N	413.521	5.447	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C2SCCS2)cc1	731333330	YGCPRZPGYGOSTE-CQSZACIVSA-N	400.594	5.812	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)c1	733801313	WJDWPPIWJUYDTG-SFHVURJKSA-N	403.309	5.240	30	20	HKED	
C#CCOc1ccccc1CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1	734159043	DRGVWEOGGCZSFK-UHFFFAOYSA-N	402.441	5.131	30	20	HKED	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740483669	VDTYSSBYZSRAJT-UHFFFAOYSA-N	418.566	5.084	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	742454257	BWUCJPIBXDCJGK-QAPCUYQASA-N	408.548	5.489	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036568	CRUXZRJRUCLJFQ-CJNGLKHVSA-N	400.425	5.809	30	20	HKED	
Cc1cccc2c(CCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c[nH]c12	744073219	BDRNSAGGBVABPN-MRXNPFEDSA-N	421.472	5.687	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)c1)C(=O)O	745020452	FKJQPXYJAWVUJG-CFRMROPGSA-N	419.458	5.304	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1	746880146	WRZYSAKPFUPXMW-UHFFFAOYSA-N	424.913	5.313	30	20	HKED	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	748948255	QZTBYMFZZPPILO-XMMPIXPASA-N	415.493	5.246	30	20	HKED	
Cc1cc(Cl)cc2c1OC/C(=C/c1cc3cnn(C(C)C)c3nc1Cl)C2=O	750908003	CASGNACINMQVFU-NSIKDUERSA-N	402.281	5.286	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1	751004921	PVJYEOKJBXTYGD-SOLBZPMBSA-N	415.584	5.120	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccc(Br)cc2)s1)c1c[nH]c2ncccc12	751537185	WUSQOQUKAXMPKD-FPLPWBNLSA-N	410.296	5.345	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(CC)[C@H](CC)Cc2ccccc2)cc1C#N	752306208	VPAMIJNZNPGVSN-HXUWFJFHSA-N	408.502	5.002	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cc1	757875184	OQNHQWMFUQCMEX-QHCPKHFHSA-N	405.457	5.171	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c1	758558331	NKEFLAWHBRGHNX-NRFANRHFSA-N	409.848	5.293	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCCCSc3nccs3)c2)cc1	758599204	SDMPUKIDTIFRQC-UHFFFAOYSA-N	410.524	5.111	30	20	HKED	
N#C[C@H](C(=O)C1(c2c(Cl)cccc2Cl)CC1)c1nc2cc(F)ccc2s1	759552056	WTNOLMWSAXICJR-LLVKDONJSA-N	405.281	5.650	30	20	HKED	
CCCc1ccc([C@H](NC(=O)Cc2cccc(OCC#N)c2)c2cccs2)cc1	760247214	NORGZIAVVVWDBA-DEOSSOPVSA-N	404.535	5.051	30	20	HKED	
Cc1ccc(-c2csc3ncnc(N4CCO[C@H](c5cccc(C#N)c5)C4)c23)cc1	761239481	FVSPLGQEIOEEGL-NRFANRHFSA-N	412.518	5.116	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2OCc2cccs2)c(Cl)c([N+](=O)[O-])c1	764302759	JAXDOSSGDPKIIZ-UHFFFAOYSA-N	413.842	5.013	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1c(F)cccc1F	764567681	VIVRKYMNONLLTK-DOTOQJQBSA-N	420.415	5.208	30	20	HKED	
N#CC(CCN1CCC[C@H]1C[C@@H](O)c1ccco1)(c1ccccc1)c1ccccc1	769726768	CFSXNLNIQYWBIB-BJKOFHAPSA-N	400.522	5.067	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2ccc3cc(OC)ccc3c2)ccc1OC	772985650	LPSNNYNZGSFYMI-ISKFKSNPSA-N	418.537	5.779	30	20	HKED	
COc1cc(C)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1C	783713336	PMKSDMHPFGJXMN-FLIBITNWSA-N	420.534	5.658	30	20	HKED	
CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1sc(-c2ccc(Cl)cc2)nc1C	789086045	PVGJZKZYHITKMN-UHFFFAOYSA-N	408.914	5.450	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3cccc(Cl)c3)CC2)c1	792942855	ZZTLRMHSHMWNFH-OAQYLSRUSA-N	411.933	5.110	30	20	HKED	
N#C[C@H](C(=O)[C@H]1Cc2ccc(F)cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1	796643786	PUQGTIJWOQZXJN-JKSUJKDBSA-N	417.292	5.772	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccccn3)C2)cc1Cl	799207747	KJRDSFPTDKRFLX-WIYYLYMNSA-N	416.912	5.412	30	20	HKED	
C=CC[C@H](OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)c1ccc(Cl)c(Cl)c1	801706737	MCWLGKTVKFGGIF-KRWDZBQOSA-N	423.296	5.213	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c2ccccc21	904453292	LMNYODHHXRMXHN-UHFFFAOYSA-N	421.460	5.849	30	20	HKED	
C/C=C/c1ccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OC)c1	915179466	FSKNZEACNSGRMM-WVKANMAXSA-N	412.489	5.401	30	20	HKED	
C=CCOC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1	916613108	PRPMMPXAEPUGLJ-UHFFFAOYSA-N	400.550	5.298	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccccc1	916627217	GTIYMAIQVRIIAP-ZAQQZEBGSA-N	410.498	5.722	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	916708240	PCJMUZVIWVDWKC-VWLOTQADSA-N	418.585	5.318	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1	916953296	MYCSLKHNSUDPKW-GFCCVEGCSA-N	419.289	5.178	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(Cl)c(Cl)c2)sc2c1-c1ccccc1CC2	917773872	DLVWXBUDBQGNIW-UHFFFAOYSA-N	400.290	5.339	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccccc2Cl)cc1	917805099	RDWLJKLHZVUISV-SDNWHVSQSA-N	402.881	5.637	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc2cc(Cl)ccc2s1	920112483	BCWKFTPKLIUFIL-MRXNPFEDSA-N	414.889	5.013	30	20	HKED	
C=CCCO[C@H](C)C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1	921216971	DAPFZIZDIGBMIC-DLBZAZTESA-N	412.917	5.323	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3C)CCC2)cc1	1785840916	NIBMGNHTJXXEEQ-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(C)o3)CCC2)cc1	1791250623	XRPAJHKZYAGNMH-GROYHEBESA-N	406.526	5.338	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1	1799623627	SMDNBVNTBAOQQE-XMTFNYHQSA-N	421.368	5.014	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1	1830059363	FCRNEERNXKFKFK-RDPSFJRHSA-N	410.602	5.256	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2ccccc2)cc1	1847268064	LKYCGOFOAFTBIC-ZEQRLZLVSA-N	416.565	5.161	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1C	14081892	SAHNKGVEVOLQFO-UHFFFAOYSA-N	420.582	5.295	30	20	HKED	
C=C(C)COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC	60791887	SZPHJGMZGDXRMF-NDENLUEZSA-N	411.548	5.052	30	20	HKED	
Oc1ccccc1/C=N/[C@@H](c1ccccc1)[C@@H](/N=C/c1ccccc1O)c1ccccc1	169412457	XYGQIEGQKDYFMG-LFOGQNNZSA-N	420.512	6.118	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](c2ccccc2)c2ccccn2)c1	237839764	CFOIWJQEHQBPJB-MHZLTWQESA-N	405.501	5.411	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](c3ccccc3)c3nccs3)c2)c1	237855062	OCACXFAQZWFMML-DEOSSOPVSA-N	411.530	5.473	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N(CCC#N)Cc1ccco1	426078068	QMUYQBFAAPGMRT-UHFFFAOYSA-N	423.900	5.768	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Br)c(F)cc1F)c1cccc(Cl)c1Cl	428799874	FJLOTZHYMVKWEI-ZDUSSCGKSA-N	420.040	5.029	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc2c(cc1Cl)CCC2=O	429487462	YFFYKSJLONOXNR-UHFFFAOYSA-N	402.837	5.385	30	20	HKED	
CC1(C)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCS1	433244819	VTHXPWLBRKVJMK-IBGZPJMESA-N	413.974	5.745	30	20	HKED	
CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1	433537808	KJUQXXKJFXNIQC-UHFFFAOYSA-N	419.525	5.010	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1ccc(F)cc1C#N)c(C)n2Cc1ccccc1	433981301	NTWGGPYHNNWWJU-UHFFFAOYSA-N	413.452	5.270	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1)c1ccccc1	435733639	UNKMTBGGATYEBT-GOSISDBHSA-N	407.539	5.182	30	20	HKED	
N#Cc1csc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1	437562728	ZJPWJVMVIWRPJU-UHFFFAOYSA-N	421.909	5.005	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	438049273	MGARDPTWYQGNPL-KBXCAEBGSA-N	403.935	5.243	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1	438480591	SUUKAWMKJNZBPX-UHFFFAOYSA-N	418.497	5.017	30	20	HKED	
CN(Cc1ccc(Br)s1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438635989	NDNSPIXXFSWUBC-UHFFFAOYSA-N	418.238	5.065	30	20	HKED	
CN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438667083	XDPSZDGBXFYUCI-UHFFFAOYSA-N	423.419	5.171	30	20	HKED	
CCN(C(=O)c1ccc(C#N)cc1C)[C@H](c1cccnc1)c1csc2ccccc12	438827846	KKVBXKFOWKTNDB-XMMPIXPASA-N	411.530	5.728	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1NC(=O)Nc1ccccc1	439672761	KSUNHHVXFQBZFP-QFIPXVFZSA-N	412.493	5.414	30	20	HKED	
COCCCn1c(S[C@@H](C)c2cccc(C#N)c2)nnc1-c1ccccc1Cl	442916253	AKWHPDINJGLVJM-HNNXBMFYSA-N	412.946	5.360	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(SC(C)C)cc2)c1C#N	445564948	IUCOCVASCYPDJE-UHFFFAOYSA-N	408.552	5.219	30	20	HKED	
CSCc1cc(F)ccc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	447058338	GVWIGBQZCLCYBB-AWEZNQCLSA-N	403.548	5.405	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)cc1	460149650	IMLYGXZBMCUOBV-RTWAWAEBSA-N	415.320	5.039	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c2c(C)noc2n1	460162927	CLLFODVPYDQCJM-UHFFFAOYSA-N	416.868	5.212	30	20	HKED	
CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	461875443	HPFHNFOKJZYTCJ-RTBURBONSA-N	408.571	5.071	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1	466232252	SHSRJXMQZIYPMN-NRFANRHFSA-N	411.839	5.595	30	20	HKED	
N#C[C@H]1N(C(=O)c2sc3cc(Cl)ccc3c2Cl)CCC[C@]12CCCCO2	468647239	DBPWVOJVICNZFU-DNVCBOLYSA-N	409.338	5.276	30	20	HKED	
N#C[C@@H]1N(C(=O)c2sc3cc(Cl)ccc3c2Cl)CCC[C@]12CCCCO2	468647240	DBPWVOJVICNZFU-HNAYVOBHSA-N	409.338	5.276	30	20	HKED	
CCO[C@H](CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C(C)C	472753597	PCTVLDHAJGLAJL-HSZRJFAPSA-N	409.530	5.018	30	20	HKED	
Cc1nc(-c2ccccc2NCC(=O)N(CCC#N)c2cccc(C)c2C)cs1	480161468	JECPJYHNWUOQDR-UHFFFAOYSA-N	404.539	5.094	30	20	HKED	
C[C@H](C1CC1)n1nccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	482448655	GVUZHGDYHWSJGE-QGZVFWFLSA-N	417.488	5.099	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nccc2ccccc12	483236567	OYHPGLLQAFEBKU-OAQYLSRUSA-N	409.401	5.425	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc(C)c1OCc1cccnc1	483241006	VHSAIQUBGWPGPH-HSZRJFAPSA-N	407.473	5.316	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21	485107639	OPOYDBYZNGOAKX-GOSISDBHSA-N	422.456	5.241	30	20	HKED	
CC(C)c1c(NC(=O)N(C)Cc2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1	485189194	YUTRFESZYYAZHF-UHFFFAOYSA-N	407.905	5.185	30	20	HKED	
C=CCSc1ccccc1C(=O)NCCc1ccc(-c2csc(C)n2)s1	485474043	JDBUPKQMTYNBBY-UHFFFAOYSA-N	400.594	5.431	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccc(C#N)cc1Cl	485719171	NFVLGEROKMSDGI-UHFFFAOYSA-N	405.763	5.446	30	20	HKED	
CC(C)(CCC#N)CNC(=O)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1	491146885	NKACDQDIOPQOEQ-NRFANRHFSA-N	413.949	5.227	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1	491343537	OXXFYFVZKVIMKH-UHFFFAOYSA-N	415.580	5.242	30	20	HKED	
COc1ccc([C@@H]2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)cc1	499547468	ZMOXIQKHRLBQPC-HXUWFJFHSA-N	414.530	5.348	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cnn1-c1ccc(Cl)cc1	499813507	PFBPPQFPYCSRIH-KRWDZBQOSA-N	419.699	5.136	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503481186	YFCOWYFYQGPSIQ-UHFFFAOYSA-N	403.526	5.503	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1	504701780	BSKGACSOGKMNCA-UHFFFAOYSA-N	423.925	5.019	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1	505214006	VCEFXKFWDSTJSN-UHFFFAOYSA-N	416.333	5.495	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	505320192	JUYTWXHXNSCZEZ-QHCPKHFHSA-N	423.472	5.224	30	20	HKED	
CCO[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccc1	505642944	DDLVNFVZLYJAJW-QHCPKHFHSA-N	402.450	5.075	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505800134	ARJXDJRKBNEDNB-ZDUSSCGKSA-N	416.337	5.352	30	20	HKED	
C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	508876135	WTRMZXXDZRJCEH-QGZVFWFLSA-N	417.488	5.104	30	20	HKED	
N#CCCCCNC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1	509196841	SOGYNQGIYFUHOH-UHFFFAOYSA-N	404.333	5.416	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1	510887249	MBWIBCOTXDTWAL-MRXNPFEDSA-N	421.447	6.162	30	20	HKED	
N#CCSc1cccc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1	512398174	LYFNMAVXSFTWMH-IBGZPJMESA-N	408.420	5.032	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C	512495944	FZZUNKPHGBZTRU-HNNXBMFYSA-N	415.559	5.778	30	20	HKED	
CCO[C@H](c1noc(-c2cc(F)c(F)c(F)c2)n1)c1ccc(F)cc1C(F)(F)F	514891462	YWONDRYQGIANLI-HNNXBMFYSA-N	420.284	5.438	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1	515214313	VSHXXMPCOAKPPA-UHFFFAOYSA-N	413.521	5.202	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(C(C)(C)C)n1	517450390	ATKGWLCPFQFNHN-CQSZACIVSA-N	419.641	5.707	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccccc2)no1	518147194	CJWDVRNFLVLKKW-INIZCTEOSA-N	423.563	5.608	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](CN2CCCCCC2)C1	518260285	VOSFAVIPKAKYOE-PMACEKPBSA-N	414.619	5.201	30	20	HKED	
CC(C)(C)c1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	518873163	QYHZYIWDAYASQX-SNVBAGLBSA-N	403.479	5.332	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F	520926267	XVYVRUSFCYCQAD-NSHDSACASA-N	418.437	5.040	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1	521102075	HRAZUICTARUVGM-CVEARBPZSA-N	404.297	5.043	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1	521102217	PVCOSRJUZZSUQC-OAQYLSRUSA-N	417.336	5.778	30	20	HKED	
CCN(Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1)C(C)C	521886096	JUPVDEGWZKOQOY-HXUWFJFHSA-N	404.341	5.218	30	20	HKED	
CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	522308123	ZMCNUWJELARDRZ-LLVKDONJSA-N	417.745	5.290	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(OCc2ccccc2)cc1	522529815	FSYXNPPIAYMVIN-QTEQDKRBSA-N	418.443	5.028	30	20	HKED	
CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	522826910	SQINFQGRAMEPER-UHFFFAOYSA-N	413.905	5.074	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	523971319	YMTZXEWRSSJLFP-CQSZACIVSA-N	419.790	5.043	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C1	524200351	HKUBOJQZPXSSHG-RNODOKPDSA-N	406.313	5.170	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)s1	525135833	CXRAOQOFSPVGIL-UHFFFAOYSA-N	419.293	5.324	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(C3CC3)nc3ccccc23)c1C	531431754	YNOVGIKSCKVNGD-UHFFFAOYSA-N	407.477	5.039	30	20	HKED	
C=C[C@H](CC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccccc1	534000930	RHMOJCOVWFTVTH-MRXNPFEDSA-N	414.908	5.016	30	20	HKED	
Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(CC#N)cc1	534002778	SLRWBDTVKQKHRA-UHFFFAOYSA-N	418.806	5.078	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc(CC#N)cc1	534627372	UIOOSEWZWRFVNC-UHFFFAOYSA-N	405.473	5.032	30	20	HKED	
CCC[C@H](C#N)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	537724809	HGTIKALGXNSDCQ-XUDLPTGHSA-N	405.523	5.044	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(C4CCCCC4)n3)n2)cc1	538482428	UAAUTBQRRLTAQD-IBGZPJMESA-N	404.539	5.619	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	544067045	NNLRRBCGTBTNTJ-UHFFFAOYSA-N	400.482	5.613	30	20	HKED	
N#C[C@H](NC(=O)c1scnc1C1CCCC1)c1ccc(OCc2ccccc2)cc1	546050476	ZALWJKGDCQNUCD-NRFANRHFSA-N	417.534	5.374	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCC[C@@H]2CCCCO2)cc1Cl	546212964	KRQFPXLOAFZGQL-FPOVZHCZSA-N	411.933	5.466	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](COCC)C1	549322130	RKLDATIXOBICMZ-UXHICEINSA-N	420.557	5.010	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)N[C@H](c1cccc(F)c1F)C(F)(F)F	555021757	JFTSXWHFXHJPSL-CYBMUJFWSA-N	414.252	5.130	30	20	HKED	
Cc1cccc([C@@H](c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)C(C)C)c1	571566957	VRJAEZKTEFEQOJ-DEOSSOPVSA-N	416.525	5.045	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1	573403671	WOLDOMATVSCWRB-FQEVSTJZSA-N	408.546	5.948	30	20	HKED	
C[C@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1F	576363239	CEYGOZYVTPVMKS-KJCSWXPRSA-N	411.952	5.615	30	20	HKED	
C=CCN(C(=O)[C@@H](C)Cc1cncc2ccccc12)c1nc(-c2ccccc2)cs1	576425313	JTZKLAJTDTWBGS-SFHVURJKSA-N	413.546	5.756	30	20	HKED	
CCCCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](C)c1ccc(C)o1	586758823	IGNLCLIDDJFGIK-SFHVURJKSA-N	411.521	5.205	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCc2cc(C#N)ccc21	586779008	YSLBAFKWBPXALB-XIKOKIGWSA-N	421.850	5.225	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	588719315	UYYCPWNVGUNSAD-UHFFFAOYSA-N	423.900	5.780	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	589755100	GTNPPISCHTYCPU-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cccc(C#N)n1	589780562	YPZQAUJNFBNRKC-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H](c3ccncc3)C2)c1	590552420	LQGFPUJTBCWDLY-GOSISDBHSA-N	403.869	5.029	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	601187372	MCTBPQMFGFHLDJ-QFIPXVFZSA-N	420.516	5.374	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2cccs2)cc1	603530414	QKWNLKPGHRUCLZ-UHFFFAOYSA-N	417.534	5.170	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)c2C#N)C1	608896323	CYOIIXFCXYRVCU-GFCCVEGCSA-N	411.527	5.183	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(-c4cccc(Cl)c4)[nH]n3)o2)cc1	609076868	ALXKLXCAISSQQS-UHFFFAOYSA-N	418.840	5.026	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1	609082497	NBBFYRLYSXHNKG-UHFFFAOYSA-N	401.388	5.010	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2)n1	609165140	OCIAAVOCFJDAEL-UHFFFAOYSA-N	404.520	5.333	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	609378676	ZEKZFTDLSOWSMO-IAGOWNOFSA-N	420.456	5.462	30	20	HKED	
CC[C@@H](NC(=O)CNc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	609384733	NURCAHVDGOZQRM-MAUKXSAKSA-N	401.963	5.271	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC3	609435401	MQNPDYBXOUAZEJ-INIZCTEOSA-N	404.539	5.461	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cc2)nc1	609515747	BDDVTWFQVSUTEX-NRFANRHFSA-N	422.488	5.247	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609987323	GAOQOQGDEDHXLM-UHFFFAOYSA-N	421.460	5.445	30	20	HKED	
Cc1nc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2n1C	610310338	RJLWLTREBPVRFN-UHFFFAOYSA-N	412.518	5.298	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N	610431450	PTNNJLIRZIRNTF-UHFFFAOYSA-N	401.800	5.293	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCCOc2ccccc2-c2ccccc2)c(Cl)c1	611096896	QNJZPRYSKNQQIK-UHFFFAOYSA-N	411.288	5.341	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2o1	642281508	MWSPPDYROJPLEK-OAHLLOKOSA-N	423.881	5.315	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1	642448600	AKIUNKPLKGOTKW-UHFFFAOYSA-N	405.495	5.294	30	20	HKED	
Cc1c(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F	675532959	FKQHUDQDDLJUPY-NXEZZACHSA-N	422.291	5.608	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2cnc3ccccc32)cc1)c1nc2cc(F)ccc2s1	679237926	LETQEMIXGHLZCE-KRWDZBQOSA-N	412.449	5.264	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCOc2ccc(OCC)cc21	681542134	RCEDWOSHBYAYBB-KRWDZBQOSA-N	406.935	5.022	30	20	HKED	
CC(C)(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1	726732979	NTTNLPZJPYHQRE-MRXNPFEDSA-N	419.506	5.194	30	20	HKED	
Cc1sc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(C#N)c1C	729647614	ACVROHCBTUHBPD-SFHVURJKSA-N	413.543	5.221	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)Nc1ccccc1-c1ccccc1	730955203	UOWGFYIPOIENTE-KRWDZBQOSA-N	403.576	6.414	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	731319955	RFXUSPQNAUTILD-UHFFFAOYSA-N	402.479	5.118	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2s1	734209880	GDIQORYGZQCWDB-OAHLLOKOSA-N	414.490	5.843	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(Nc2ccccc2F)s1	735231082	PBEONHHIJADTSH-UHFFFAOYSA-N	406.895	5.269	30	20	HKED	
CCc1ccc([C@H](COC)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	743093360	SIOGJUNBWPNGQJ-YADHBBJMSA-N	403.482	5.007	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743097398	VJJWNDCVITZPNH-HSZRJFAPSA-N	411.505	5.248	30	20	HKED	
C#CCN1CCC(C(=O)N(c2ccc(C(C)C)cc2)c2nc3ccccc3s2)CC1	745363379	ULZSUTCMXLRRTD-UHFFFAOYSA-N	417.578	5.430	30	20	HKED	
CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN(C)C[C@@H](C)C#N)c1=S	746705816	BSYWJEXWTYRXBN-KRWDZBQOSA-N	410.591	5.192	30	20	HKED	
CCCCCC(=O)Nc1ccc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)cc1	749985165	HKKRYSSQAWTJLP-VHXPQNKSSA-N	408.571	5.144	30	20	HKED	
CC(=O)N(c1nc(/C=C2\CCc3ccc(C)cc3C2=O)cs1)c1ccc(F)cc1F	753900105	ISOFFZOHWJEAMO-MHWRWJLKSA-N	424.472	5.627	30	20	HKED	
C[C@@H](C#N)CN(Cn1nc(Cc2ccccc2)n(C2CCCCC2)c1=S)C1CC1	753988343	PINNKGDYVNQBHW-SFHVURJKSA-N	409.603	5.092	30	20	HKED	
COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	757875006	MMDVCEREJHPESI-SFHVURJKSA-N	420.534	5.290	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc2ccccc2n1C(F)F	759222469	QDNLQZBGXCMWNC-SCOAYWHSSA-N	422.822	5.523	30	20	HKED	
Cc1ccc(-c2csc3ncnc(N4CCO[C@@H](c5cccc(C#N)c5)C4)c23)cc1	761239529	FVSPLGQEIOEEGL-OAQYLSRUSA-N	412.518	5.116	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccccc2F)C(C)C)c1=S	764933665	QYZLHMLCAKNTHM-UHFFFAOYSA-N	411.550	5.059	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H](c3ccccc3OC)C2)c1=S	765016746	ZCHVSVRMZYPBRY-LJQANCHMSA-N	420.582	5.031	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccnc(Cl)c2)cc1	770410374	JZDIAMLTUROEDS-JXMROGBWSA-N	403.869	5.032	30	20	HKED	
Cc1cc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2cc1C	770838563	JPSSKDZXNHEPDC-HXUWFJFHSA-N	424.456	5.803	30	20	HKED	
Cn1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1	771111962	HYPHODMBLMLKJQ-SFHVURJKSA-N	405.889	5.250	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccnc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	771265201	KZSJRPHEBGJXJC-RXNFCKPNSA-N	401.825	5.026	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	772637853	PCOSDGBYFDOREO-QFIPXVFZSA-N	422.484	5.747	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)c1ccccc1	774259240	FYCZEMVMSJHWPR-RTBURBONSA-N	416.443	5.116	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCc2c(Cl)cccc21	776077880	RPDGOODTWOXREA-HZPDHXFCSA-N	420.868	5.032	30	20	HKED	
CC(=NOCc1ccc(C#N)cc1Br)c1nc2ccccc2n1C(F)F	778026594	SYCPYYAPXPJHCS-UHFFFAOYSA-N	419.229	5.006	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1	780151173	NNHZXXYSXKAVLF-CYBMUJFWSA-N	414.433	5.560	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)NCc2ccc(C#N)cn2)c2cccs2)cc1	780194518	KNQXCAXSDUPKRV-OPAMFIHVSA-N	404.539	5.117	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC=C(c3ccccc3)C2)cc1	782559768	VECMWMPGLRYJIX-UHFFFAOYSA-N	409.489	5.263	30	20	HKED	
C#CC[C@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	788817525	DLYLGJAKDJZLQP-GMAHTHKFSA-N	416.500	5.217	30	20	HKED	
COc1ccccc1-c1ncc(/C=C/C(=O)c2cc(Cl)ccc2OC(F)F)cn1	792887176	YWRUZGIZXNMNOZ-SOFGYWHQSA-N	416.811	5.303	30	20	HKED	
C=CC[C@H](CCc1ccccc1)OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1	797564776	HPQLWJXZPBFJLO-HSZRJFAPSA-N	406.526	5.051	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	798212892	BXAPLTPQEYIIAZ-UHFFFAOYSA-N	414.248	5.271	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C1\C[C@H](C(=O)O)c2ccccc2C1=O	806561722	YXHLWZQQUUZEFO-BVZCLVNKSA-N	420.896	5.040	30	20	HKED	
COc1ccc([C@H](O)C2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc34)CC2)cc1	812481476	ZZNFXWGGMLHFJZ-DEOSSOPVSA-N	421.928	5.027	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)sc2cccc(F)c12	813214036	OFMYLIHTOJYXHV-LLVKDONJSA-N	408.376	5.091	30	20	HKED	
Cc1cc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1-c1ccccc1	815788323	BQZJUCNSFKVXNS-XMMPIXPASA-N	411.505	5.152	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(OC(F)F)cccc3[nH]2)cc1	915199616	HWWHYWMQGKIKSK-LJQANCHMSA-N	417.415	5.677	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	916898537	CZQFMKCURRPAAD-OAQYLSRUSA-N	420.921	5.593	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1	916911874	YDTUZZHKZBLQTR-HXUWFJFHSA-N	418.880	5.412	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2c(s1)-c1ccccc1CC2	916916156	OVHIFPUSUQDMQF-OAQYLSRUSA-N	422.509	5.628	30	20	HKED	
C[C@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	919904374	JKFPPXZKCBDTAK-IIBYNOLFSA-N	421.447	5.209	30	20	HKED	
CC(=O)N(c1nc(/C=C2\C(=O)c3ccccc3C2(C)C)cs1)c1ccc(F)cc1F	920070667	ZNEAWWHVKHMZPQ-WOJGMQOQSA-N	424.472	5.663	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	920110808	WGJSXIJBDHEDGY-WMZHIEFXSA-N	412.489	5.006	30	20	HKED	
Cc1ccc(C(C)C)c(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920141889	NFDJFZFTWCNKRX-HXUWFJFHSA-N	415.518	5.369	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)C[C@H]4C)CCC3)cc2)c1	1792125379	XRQMOIDUMCKWHL-GAKIBJFNSA-N	415.537	5.107	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1	1831375153	NOOYAJOSOARZCW-GBXCKJPGSA-N	410.602	5.256	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)cc2)cc1	10173229	OWSAGCDHNWJMAN-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccccc1	21755318	BDTFPQVDBXRJPP-AEFFLSMTSA-N	424.595	5.037	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	45036727	ARZHLWCDDBHMMY-IAGOWNOFSA-N	403.404	5.361	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	58719140	XGAKKOCYRGBGGZ-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
CSCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	64714550	CGGIMXXRHRWRGV-CQSZACIVSA-N	400.475	5.441	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1	65869880	HRGSXUGZVSFUTI-UHFFFAOYSA-N	408.885	5.461	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c1	71981333	XHEJBBOTSRLVST-UHFFFAOYSA-N	424.287	5.299	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OCc2csc(C)n2)c1	105228055	QQEFSGWDNPSKKM-UHFFFAOYSA-N	418.971	5.574	30	20	HKED	
CCCCCCCCCC[C@@H](CI)CCCCCCCC	114737215	XFAUJLCVKQRWOW-FQEVSTJZSA-N	408.452	8.319	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2csc(-c3ccccc3)n2)cc1	221848991	AHZOZZODBLCFPH-XFXZXTDPSA-N	401.491	5.019	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccco1	303082193	VWIDSIDLTFYXRY-QFIPXVFZSA-N	418.497	5.148	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)nc2ccccc21	303457791	FDNZLRJKVAMCLC-KRWDZBQOSA-N	403.388	5.134	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccc(C#N)cc1	303654616	CADBATLHPQJKIK-QGZVFWFLSA-N	414.509	5.857	30	20	HKED	
O=C(c1cccnc1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	410101704	UNOXPHVRTDEVHL-UHFFFAOYSA-N	420.328	5.220	30	20	HKED	
Cn1c([C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2)nc2ccccc21	426132379	YCFKXCVVLHUYCL-NRFANRHFSA-N	415.884	5.009	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)s1	430612893	URLSBHLSJBGGMX-MRXNPFEDSA-N	424.472	5.440	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccccc1	431878826	COZHGWXZCBJSKA-YSIASYRMSA-N	401.432	5.296	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1)c1ccccc1	431882342	NQSOPTVSEKZAAH-JOCHJYFZSA-N	418.472	5.247	30	20	HKED	
N#Cc1cccc(-c2cc(-c3nc(-c4cccnc4Oc4ccccc4)no3)on2)c1	432660433	UKLXCTWHWWAFSR-UHFFFAOYSA-N	407.389	5.118	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccccc1	432762468	GXEXTYQBTMGGSP-RTWAWAEBSA-N	407.514	5.191	30	20	HKED	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)c1ccc(C#N)cc1	434519787	BYTMUQDECJMXMB-JKSUJKDBSA-N	403.448	5.377	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(OCc2cccs2)c1	436337996	CPZFGDSFQACBRQ-DHIUTWEWSA-N	402.519	5.239	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(-n2cccn2)cc1	438052810	SNMOQBAVWGLPMD-SJORKVTESA-N	405.527	5.149	30	20	HKED	
COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	438059948	PHFMOPPYHHWDKT-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@H](C)c2ccc(C)cc2)cnn1-c1cccc(C#N)c1	439663429	LOGSDPGIGVVMDB-GOSISDBHSA-N	401.514	5.230	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(C(F)(F)F)cc1	442271957	JJGMHTDDGJCJNB-SJLPKXTDSA-N	406.452	5.025	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CCCC1(C)C	444903244	XEUOAKBENNGFCJ-YUDQIZAISA-N	424.610	5.734	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c(F)c1	445713668	HZWBLGUNYJATFV-UHFFFAOYSA-N	416.261	5.581	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccccc1C[S@@](C)=O)c1ccc(C(F)(F)F)cc1	460229189	DEAABSNFMKHSKL-LDLUVENISA-N	424.488	5.413	30	20	HKED	
COc1cc(C)c(Br)cc1NC(=O)Nc1cccc(OCCCC#N)c1	462864651	VPLUUEPIQBXHSQ-UHFFFAOYSA-N	418.291	5.093	30	20	HKED	
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	463265857	LSKIQLHSUFXVBA-UHFFFAOYSA-N	417.227	5.316	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	463275246	JTBITMYSYMWSMV-QGZVFWFLSA-N	415.468	5.157	30	20	HKED	
CCCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C)c1	465452249	LNIFIKDYJJMEKN-UHFFFAOYSA-N	416.525	5.430	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1	466609633	UKGKHVQMIXTDRX-SNVBAGLBSA-N	424.835	5.837	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O	466619094	WADXXVYUPCEDOJ-ZDUSSCGKSA-N	424.913	5.139	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cc(Cl)cn1C	467114176	ODNNMVBZSWULMB-UHFFFAOYSA-N	408.889	5.315	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cn(CCCC#N)c3ccccc23)cc1	469486617	XAEOFXZKEWUJBS-OFVILXPXSA-N	415.537	5.151	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)ccc21	469951082	UVGOIFPKHYWPRP-RPWUZVMVSA-N	423.516	5.165	30	20	HKED	
CSCc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1F	471789814	DLLWTOKEVYMTAE-UHFFFAOYSA-N	420.509	5.586	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)NC2CCCCC2)CC1	475549747	UMNJSOQRDKKVNT-UHFFFAOYSA-N	411.590	5.231	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	475563053	PKXLEADKUPHUOB-UNMCSNQZSA-N	416.924	5.983	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1	475572050	XFKPKUMSUBLNPE-LJQANCHMSA-N	406.574	5.281	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C[C@H](CC#N)c1ccccc1	475651683	QFMSGPIFKZIUQG-BEFAXECRSA-N	407.514	5.522	30	20	HKED	
C=C(C)[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(F)c(F)c1	475701231	KRZIIBMJNNLVGC-JOCHJYFZSA-N	400.400	5.125	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1	476659102	KSSSLQZXIHXTAZ-QAPCUYQASA-N	412.358	5.095	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@H](c3cc(F)cc(Br)c3)C3CC3)cc2)CC1	477289536	DIISADSLGCTPIN-IBGZPJMESA-N	413.290	5.024	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1cnc2ccccc2n1	483213876	MRTUKTFINDYVOU-FQEVSTJZSA-N	416.440	5.442	30	20	HKED	
Cc1sc(NC(=O)C[C@@H](CC#N)c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	483355467	VMUHQFTUSABVKK-MRXNPFEDSA-N	406.467	5.053	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ncc(-c3ccccc3)cn2)cc1	484700443	DRYCFLZAAWVVKI-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
N#CCCN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C12CC3CC(CC(C3)C1)C2	486587613	SXEHJQFQCHQJJZ-UHFFFAOYSA-N	423.944	5.249	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1c[nH]c2cccc(Br)c12	488148213	SKPSUGLKGWCLTN-LBPRGKRZSA-N	414.328	5.577	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1cnccn1	488883089	WIILYURXNGGWQY-FQEVSTJZSA-N	419.941	5.456	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCCCCC2)cc1C	489470248	AJGQZSZBMRMAHD-UHFFFAOYSA-N	402.542	5.467	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(C)cc1	489658166	RTSHJDGTTGBXCS-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
CCOc1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl	492084944	XIPRRHVOHVACKO-LLVKDONJSA-N	419.840	5.025	30	20	HKED	
Cc1nc(C)c(C#N)c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1	498114036	KUEDZSASMVIJIY-UHFFFAOYSA-N	419.941	5.309	30	20	HKED	
Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)no1	500754486	XFACCDMUXKZGLJ-OAQYLSRUSA-N	417.469	5.191	30	20	HKED	
Cc1cc(F)cc([C@]2(F)CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1	505297700	KCQSTVYRMZONSY-ZHRRBRCNSA-N	415.509	5.489	30	20	HKED	
C=CCn1c(SCc2cccc(OC(C)(C)C)n2)nnc1-c1ccccc1OC	506837345	ZPJYTHJVWQICDK-UHFFFAOYSA-N	410.543	5.004	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc(F)c2Sc2ccccc2)c1	510300732	XNQBAMUHPWQGOX-UHFFFAOYSA-N	406.482	5.912	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1	510869071	VJAQTCDDAGDZOO-UHFFFAOYSA-N	423.513	5.037	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccccc1-c1ccccc1C#N	512786109	UPDBTYTVPWPOLW-UHFFFAOYSA-N	403.485	5.772	30	20	HKED	
C[C@@H](Cc1cccs1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	514127528	WDWHAHMYLOGSCF-KRWDZBQOSA-N	407.514	5.102	30	20	HKED	
COC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1	514813967	MWZYZFOFIFXXMU-KDOFPFPSSA-N	403.935	5.101	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(OC2CCCC2)c(OC)c1	515790984	XMYZHNQGJLBQGL-UHFFFAOYSA-N	412.505	5.054	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nc2ccccc2o1	516264085	CGHIHSDLMRMJMH-LBPRGKRZSA-N	413.285	6.353	30	20	HKED	
C[C@H](SCc1cc(C#N)ccc1F)c1nc(O)c2c(-c3ccco3)csc2n1	517287084	KUIGGMANCSGQAM-NSHDSACASA-N	411.483	5.662	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@H](C)NCC(C)(C)CCC#N)s2)cc1OC	517907644	KPKGYHIOVGCDPZ-HNNXBMFYSA-N	401.576	5.040	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c1	518386300	ULPUZQNLUKZHBT-GOSISDBHSA-N	414.908	5.134	30	20	HKED	
CCc1c(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)[nH]c(C)c1C(C)=O	518419865	WEKYOEKSBFIGAB-UHFFFAOYSA-N	417.484	5.254	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3c(ccc4ccccc43)c2C)n1	518669471	FJTYDPDXFFTXEI-INIZCTEOSA-N	404.447	5.018	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)cc2)c1	518753464	OODQHPGJTWALDK-DEOSSOPVSA-N	412.493	5.895	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCSc1ccc(Cl)cc1	519422862	RBJFMHUSSMBOKH-HNNXBMFYSA-N	404.988	6.103	30	20	HKED	
C=CCN(C(=O)Nc1ccccc1CCC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1	520195078	RZTKQXSXHDVFQF-LJQANCHMSA-N	418.545	5.032	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2[nH]c(C)c(C)c2c1	520198011	XPTPFRCQBHBWET-HNNXBMFYSA-N	406.555	5.809	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H]2CCCc3ccccc32)cc1	520805626	PEQINSLRMRKGIP-JOCHJYFZSA-N	410.517	5.780	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1	521282600	PUUYVQHLSQKJMU-YADHBBJMSA-N	408.423	5.406	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1	521768350	FWDIMKAADJCWMI-HXUWFJFHSA-N	407.514	5.170	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C2CCC(C(C)(C)C)CC2)[nH]n1	522841472	YUYRBLGNSHQXSK-UHFFFAOYSA-N	424.593	5.028	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	534135422	DYUILUFVTHWWRI-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
CCn1c(-c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nc2cc(C#N)ccc21	535355667	SQVAEAUTCDOERK-UHFFFAOYSA-N	421.913	5.389	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)n2)cc1	535870960	MNVSDMYXLHOSRS-UHFFFAOYSA-N	416.893	5.649	30	20	HKED	
C=C[C@H](CC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	536242301	CBEKPHKXCWMTQQ-MNNSJKJDSA-N	403.547	5.434	30	20	HKED	
COCCN(C(=O)c1csc(-c2cccc3ccccc23)n1)c1ccc(C#N)cc1	538659916	MSAJMFDOYURKLS-UHFFFAOYSA-N	413.502	5.128	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCSCC(F)(F)F	538788553	NFJREOVADZPJDH-UHFFFAOYSA-N	409.433	5.076	30	20	HKED	
N#Cc1cc(F)c(C(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c(F)c1	539174797	CAWQGYVTCXLLOV-QGZVFWFLSA-N	414.761	5.390	30	20	HKED	
CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542933050	HZHYIAOBLRUQPM-PKOBYXMFSA-N	412.489	5.073	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)c2)n1	542946117	FEXCYWPOFRGSER-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
COc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1OC1CCCC1	543127609	IWXQQYMPCXWWAS-SFHVURJKSA-N	418.415	5.030	30	20	HKED	
C[C@@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	543943975	VJHNQRLZKMVCLW-JPYJTQIMSA-N	403.526	5.077	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1)c1nc(-c2cn(CCC#N)c3ccccc23)cs1	547254675	WTRZYZGPDMFUOO-QGZVFWFLSA-N	414.534	5.212	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)N(Cc1ccccc1)c1ccccc1C#N	550111641	AKLHYMRGNPYHBV-UHFFFAOYSA-N	413.502	5.359	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCC(=O)N(CCCC)[C@@H]2c2ccccc2OC)n1	556360592	AONQOEFOUMHDNK-GHTZIAJQSA-N	411.546	5.179	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H](C)Cc1ccsc1	562108202	ACUCOSBOMIOFEX-MRXNPFEDSA-N	406.511	5.292	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(-c3ccccn3)cc2)CC1	572532654	YLJZKULNADJPBR-UHFFFAOYSA-N	412.493	5.132	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1	584677433	AFNZOXHUBDZRET-UHFFFAOYSA-N	422.712	5.424	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1	588148346	OUSYGJUNYBAHRH-UHFFFAOYSA-N	401.304	5.441	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc(F)cc2)c2ccc(Br)o2)c(F)c1	590242321	OBBXIIVXRMFFJX-LJQANCHMSA-N	403.226	5.071	30	20	HKED	
C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603766915	ZRSSLUYHTMLBQG-KXBFYZLASA-N	408.860	5.541	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cs1	604502894	KDMNKXMIXGWPFE-UHFFFAOYSA-N	415.474	5.130	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccc(C#N)cc3)c([N+](=O)[O-])c2)cc1	608974654	VDSJKMYQZUHKBE-INIZCTEOSA-N	400.438	5.200	30	20	HKED	
CCC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccn1	609206414	JGHRPESPEYQWJQ-XMMPIXPASA-N	414.509	5.390	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](Cc4ccccc4)C3)cn2)c1	609281472	KELSQOCLMKBWRO-NRFANRHFSA-N	412.493	5.232	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccccc1Br	609370577	FULFNYVOROPDKD-ZDUSSCGKSA-N	421.385	5.574	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1	610744665	BKCSGHTXDZZDAI-IBGZPJMESA-N	401.514	5.054	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc2cc(Br)ccc2o1	615080424	FVEZWEFCGYRVRX-UHFFFAOYSA-N	400.272	5.032	30	20	HKED	
CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](C)c1cccc(C(F)(F)F)c1	726485123	VBCGKGNZQFWTHH-GFCCVEGCSA-N	411.880	6.010	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1	730990483	XNMJSJHJVKMZIT-INIZCTEOSA-N	417.575	5.104	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	730994633	KONKWOTZTVYKAY-OAHLLOKOSA-N	411.527	5.538	30	20	HKED	
O=C(O)CCOc1cccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)c1	731938422	PYSFDBAUGWVWLJ-QINSGFPZSA-N	423.465	5.015	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=S)Nc2ccc(SC(F)F)cc2)c1	733755277	PJKQNWACRKZNQC-OAHLLOKOSA-N	407.511	5.169	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)c1	733770397	HUNQIAMUMWYVDJ-CYBMUJFWSA-N	419.333	5.819	30	20	HKED	
CCc1nn(C)c(Cl)c1C=NNc1ncnc2scc(-c3ccc(C)cc3)c12	734745282	JVASZSCLVBWTOY-UHFFFAOYSA-N	410.934	5.062	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ncc(-c2ccccc2)o1	741323793	YXLBEWSBOQNHEA-MRXNPFEDSA-N	411.417	5.319	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1	743478348	WHHJRAQZBMBYKH-IBGZPJMESA-N	420.557	5.035	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2ccccc2C(F)(F)F)cc1	744033043	LNZSIYVXHSHDTB-YZVOILCLSA-N	416.443	5.670	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@]34CCCc3ccccc34)n2)cc1	744063154	YIXHFBATQHSYRR-QVNIBDNGSA-N	409.514	5.152	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(CC)CCC(F)(F)F)c1=S	748296387	NMDJQWWVTQMMSB-UHFFFAOYSA-N	404.889	5.152	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C#N	752235149	HRYZUPSHAPLHNR-CQSZACIVSA-N	423.498	5.022	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	754531358	KXGGSDFNOFTMOL-RNCFNFMXSA-N	407.417	5.290	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccccn3)ccc2Cl)c1	754847863	NDFKQMMENYXDRM-SFHVURJKSA-N	405.885	5.013	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)OCC	756642539	MPBVBDIPSPPBDU-INIZCTEOSA-N	416.440	5.362	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCc2cccc(F)c2)C2CCCC2)c1	757211361	SJZIXUXNJYOPFH-QHCPKHFHSA-N	423.532	5.204	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(-c2ccoc2)c1	760965932	OZLFJXUSSDNMIZ-QFIPXVFZSA-N	422.440	5.700	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2sccc2c1	761311431	KRLBDNBQOCWAPM-AWEZNQCLSA-N	410.520	5.091	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)Cn3c(C4CCCCC4)nc4ccccc43)[nH]c12	762063352	IEMNEGLAXGYXTG-SFHVURJKSA-N	411.509	5.145	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCC(C)(C)CC#N)c3cnn(C(C)C)c3n2)c(C)s1	764829467	HFLMACBGWCJCMV-UHFFFAOYSA-N	410.543	5.454	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H](O)c2cccc(F)c2)cc1Cl	772592913	IIUGDLROTXQFOF-IRLDBZIGSA-N	408.860	5.197	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCSc3ccc(Br)cc32)c1	772983909	NEELZANDMARCQU-VQIMIIECSA-N	417.372	5.457	30	20	HKED	
N#CCc1ccccc1CC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	776997202	WSTPXBUEKDEDMC-QGZVFWFLSA-N	401.306	5.161	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780552459	WTIXESKUUJTFGP-OALUTQOASA-N	415.493	6.070	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2cc(C)sc2C)cc1	783355422	LYPKUUQLZSRVFK-VBKZILBWSA-N	410.539	5.189	30	20	HKED	
C=CCC1(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CCC1	790232455	CQQUAAKFXBMNOF-UHFFFAOYSA-N	414.845	5.152	30	20	HKED	
C[C@@H]1C(=O)CC[C@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	796644304	VIPVPALWMRCCAN-COPLHBTASA-N	407.322	5.298	30	20	HKED	
CC(C)[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccnc1	797943766	WKMJRFGIJHZTSH-PBHICJAKSA-N	403.429	5.326	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2c(C)nn(-c3ccccn3)c2C)cc1	802705193	CLYGVZUKYQFBHO-NXVVXOECSA-N	409.489	5.456	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1	806200280	CFNNYTFQECUARI-FICKONGGSA-N	421.544	6.142	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](Nc1snc(Cl)c1C#N)c1ccccc1	811869439	NVQZCVIHUMJFOJ-OAHLLOKOSA-N	406.939	5.126	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813214221	USMCGSPRVDMFJS-KOLCDFICSA-N	403.187	5.051	30	20	HKED	
COc1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1OCc1cccnc1	915049387	RBBZBHRGFRLHNR-UHFFFAOYSA-N	419.484	5.521	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1	915862059	IPWZXLSFTZHPBW-SXOMAYOGSA-N	418.496	6.101	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2cccc(OC(C)C)c2)cc1OC	916836920	BNDNKLZPFUWSQW-UHFFFAOYSA-N	420.347	5.100	30	20	HKED	
N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccccc1	916899088	LFVWGXWNEGDBHX-SFHVURJKSA-N	413.502	5.027	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C)cc1	916914660	QLYITRWVRDMPSG-FQEVSTJZSA-N	417.534	5.422	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1cccc2ccccc12	916917795	JRLVSILPZQPVBG-HHNLSAEISA-N	424.378	5.099	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1sc2ccccc2c1Cl	916926954	AEYWBTNFMWZIFQ-LLVKDONJSA-N	423.708	5.823	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C3SCCS3)cc2)cc1	916948830	YFWPDWFBBNFHMT-MGPUTAFESA-N	424.591	5.640	30	20	HKED	
C=CCn1c(SCc2cc(Cl)nc(Cl)c2)nnc1-c1ccc(OC)cc1	920071509	UJDIXFZEFOOCON-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140470	CRMGUHOCSKUQJP-KBXCAEBGSA-N	421.909	5.287	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)s1)c1nc(-c2c(F)cccc2F)cs1	920807186	ZKDZXPNBKSWWIC-NSHDSACASA-N	408.882	5.612	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCCC4(F)F)cc3)CCC2)C1	1789164018	XBRYHBLUPYCBSE-JOCHJYFZSA-N	420.475	5.004	30	20	HKED	
C[C@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1	1790428020	SXEPXRJUIVTEFS-WNSKOXEYSA-N	421.928	5.005	30	20	HKED	
C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1	1792126175	BCCHCXGCFRMXML-MQJJQYGHSA-N	401.510	5.028	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1	1804865156	DWGKYGDIAWTPHP-UHFFFAOYSA-N	416.993	5.177	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831376663	QMXQSDQCEVPAFC-SQOUVECCSA-N	402.623	5.035	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1	1832610006	REAJQXUIPJSXHC-PGRDOPGGSA-N	416.993	5.094	30	20	HKED	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](CC(=O)O)CC[C@@]43C)[C@@H]1C[C@@H]1O[C@@]12c1cccnc1	2048528851	IHWDUZHTBQMEGU-CNKWOGIHSA-N	407.554	5.339	30	20	HKED	
Cc1csc(SCc2c(C(=O)Nc3ccc(C#N)cc3)oc3ccccc23)n1	22394142	HKNSNTMMBRQDBV-UHFFFAOYSA-N	405.504	5.614	30	20	HKED	
COCc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	41538182	AOTQBZIUNYGXCB-MRXNPFEDSA-N	417.317	5.753	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)cs2)cc1	45501266	QRRSWMTYRRVTIH-KRWDZBQOSA-N	419.550	5.233	30	20	HKED	
C=CCN(C(=O)CCCOc1cccc(C(C)=O)c1)c1nc(-c2ccccc2)cs1	58620810	OJXLUVQFTOLGQQ-UHFFFAOYSA-N	420.534	5.391	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1	60546526	UBYDBVIHORXTFJ-JOCHJYFZSA-N	411.521	5.033	30	20	HKED	
COc1ccc(CNCc2ccc(Br)cc2Cl)cc1OCCCC#N	64614418	ZRZKOZIOKOXFJT-UHFFFAOYSA-N	423.738	5.083	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	108661927	WFKVQWXXQGVEDQ-MRXNPFEDSA-N	417.534	5.486	30	20	HKED	
O=C(/C(=C/c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1)c1ccccc1	196519560	ZITOOMYBEIYJKG-JCMHNJIXSA-N	421.525	5.965	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC	206838923	OEVMOJJTENIINW-BENRWUELSA-N	422.506	5.044	30	20	HKED	
COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)cc(Br)c1OC(F)F	303313201	RMVSSCMVAZJMHZ-MLPAPPSSSA-N	409.226	5.190	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)cc2)c1	303948549	YPGMLIANMXFYBN-RBBKRZOGSA-N	404.416	5.158	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	430926871	PFHVRNKEXOGVNS-GOSISDBHSA-N	423.538	5.372	30	20	HKED	
O=C(NC[C@@H]1CCC(F)(F)C1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	430971829	PPAMDPPGDOVRJL-MFKMUULPSA-N	418.328	5.434	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@H](C3CCC3)C2)cc1Cl	432676873	BZZKPLWWIBZNDU-DENIHFKCSA-N	423.944	5.276	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(C(F)(F)F)c1	432692450	IXFFUWQWQBQMHZ-GOSISDBHSA-N	418.419	5.220	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	433728135	LGCPSTFQIONFIK-KSSFIOAISA-N	419.472	5.317	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1F	434081566	SACITLPJHDBZQO-UHFFFAOYSA-N	418.424	5.100	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1	434288572	OWIFZPYQQVKHPJ-KRWDZBQOSA-N	404.457	5.265	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1	435358950	SIKNCQSCKXKWIU-UHFFFAOYSA-N	422.916	5.113	30	20	HKED	
CSc1c(F)cccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	436120710	HITNKNOIWBZVRT-UHFFFAOYSA-N	406.482	5.445	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2cccc(F)c2)s1	436150339	JIUBOTYIEALPQM-LEWJYISDSA-N	420.513	5.177	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	436351004	IFQUZXZESZBMGG-UNEWFSDZSA-N	417.481	5.217	30	20	HKED	
CC(C)(CO)[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccs1	436503102	JGCQUUHDXDOKPL-OAQYLSRUSA-N	421.522	5.293	30	20	HKED	
COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	437605200	OZUQAECHYOMPMV-GOSISDBHSA-N	415.493	5.244	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F	437982260	DPAXCLPQRYOKRR-UHFFFAOYSA-N	422.435	5.276	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)cc1	439342181	BVYUMYTVRYXAOI-OFNKIYASSA-N	417.553	5.301	30	20	HKED	
CCCc1c(NC(=O)c2cc3cc(Cl)ccc3o2)cnn1-c1cccc(C#N)c1	440076682	KEMBRADBTUIJOB-UHFFFAOYSA-N	404.857	5.348	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1cnc(C(C)C)nc1)c1ccc(C(F)(F)F)cc1	441131693	ZJWISNGVTFQQPG-LJQANCHMSA-N	420.479	5.468	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cn(CC(F)(F)F)nc1C)c1ccc(C(F)(F)F)cc1	441582219	QKKLEGNDDWLMTM-MRXNPFEDSA-N	419.369	5.210	30	20	HKED	
C[C@@H](CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(C(F)(F)F)cc1	442998409	JLGWDQDDTFVXHW-KRWDZBQOSA-N	412.459	5.376	30	20	HKED	
CCOc1c(F)cccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	443880936	RLSLJMCYMWIJLM-UHFFFAOYSA-N	404.441	5.122	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	444025265	UDDMBXGBSRCIQG-MRXNPFEDSA-N	415.337	5.587	30	20	HKED	
CC[C@@H](NCC1(c2ccc(Br)cc2)CCOCC1)c1ccc(C#N)cc1	447537580	XAKPGIVSQHHREY-OAQYLSRUSA-N	413.359	5.110	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1	447591248	CIKIUMVQAAEQEW-UHFFFAOYSA-N	408.448	6.256	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	461309727	PMDOBLKHAFHAHI-ZHRRBRCNSA-N	404.441	5.093	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1	466959067	FFJFYCKGWLASIA-OAHLLOKOSA-N	400.935	5.046	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1	469938207	IVELGHQFAPLPGM-UHFFFAOYSA-N	423.476	5.268	30	20	HKED	
COc1cccc2c1CC[C@@H]2NC(=O)c1ccccc1Sc1ccccc1C#N	470110207	FIIQZDBUHSGURD-FQEVSTJZSA-N	400.503	5.135	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2c(C(F)F)nn(C)c2s1	470888633	NLNMXVQQFZOLKG-SNVBAGLBSA-N	406.483	5.076	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)n1	474419869	BXRSPPQBJDLVSI-GOSISDBHSA-N	407.470	5.148	30	20	HKED	
CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CC2	476669560	LUPGKYPLALANHY-VGOFRKELSA-N	412.537	5.054	30	20	HKED	
Cc1sc(NC(=O)c2cc(C#N)cs2)nc1-c1ccc(Br)cc1	476928625	ZIEAVGWFBBVIKU-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccccc1	477101975	PQLJRMNIIGPUBH-ICSRJNTNSA-N	402.523	5.032	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccncc1	481348582	ZHKKDNIHICXROR-QGZVFWFLSA-N	421.570	5.159	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccc(Br)c2)nnc1-c1ccccn1	481380635	ZJLBIGMXGRAXPU-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nccc4ccccc34)s2)cc1	483192112	CHDBPGUNEXLNCS-FQEVSTJZSA-N	413.502	5.556	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1	483212726	KPKDUPFSQMQAES-QHCPKHFHSA-N	403.441	5.697	30	20	HKED	
Fc1ccc([C@@H](NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C(F)(F)F)cc1	484869630	UIOGATUWQHKDIE-OAHLLOKOSA-N	419.300	5.288	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)N[C@@H](C)c1cc2ccccc2o1	488734955	OZTAUJMYEFQDMJ-RYUDHWBXSA-N	419.428	5.076	30	20	HKED	
Cc1csc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1Br	489937547	ZMLBAHFQRCXPLZ-UHFFFAOYSA-N	403.326	5.672	30	20	HKED	
CSc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	492065509	JEKMCEPVJDXQQI-NSHDSACASA-N	409.319	5.922	30	20	HKED	
CC(C)c1nc2ccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2s1	495640587	QYBDTWXRDZNTEB-GFCCVEGCSA-N	410.568	5.281	30	20	HKED	
C=CCCOCCCCC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1	497854971	YJYSCYJEGQIKLG-LJQANCHMSA-N	413.480	5.147	30	20	HKED	
Cc1ccn2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2c1	501013967	HCMAVTGXVHVSDU-IBGZPJMESA-N	400.869	5.204	30	20	HKED	
C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503880094	XZMVTVIJOANILJ-LJQANCHMSA-N	423.516	5.032	30	20	HKED	
C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(-c2ccncc2)cc1	504825559	KNFFIMXHUAOGPF-IBGZPJMESA-N	408.505	5.180	30	20	HKED	
N#CCCCn1cc(C(=O)NCc2nc(-c3ccccc3F)cs2)c2ccccc21	505259200	DQCCEROZAXDWAS-UHFFFAOYSA-N	418.497	5.138	30	20	HKED	
CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](C)c1cc2ccccc2o1	506767315	MMSCBFQKACRPKU-KRWDZBQOSA-N	419.500	5.270	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)NCCSCc1ccccc1C#N	506860809	WAPYVNILVIDQOK-UHFFFAOYSA-N	419.554	5.058	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1nc(-c2ccccc2)ccc1C#N	510218619	SSDXRVMDJLMOLF-OAHLLOKOSA-N	423.488	5.210	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	512940213	MAPCPUAJCRSRCF-GFCCVEGCSA-N	418.868	5.194	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1	517454745	HMPAWPQUGSNLKQ-KBRIMQKVSA-N	415.356	5.443	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	517478175	ICIZLCRNGHDYPO-RTBURBONSA-N	403.309	5.442	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)CCCCOc1ccc(Br)cc1	517488127	FWIMSJIPRUNVOY-UHFFFAOYSA-N	408.361	5.275	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2ccccc2)cs1	517531388	CVHNWTBSOALXGY-CVEARBPZSA-N	422.579	6.087	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)CC1	518580149	JOBGWGVYGAGHKR-UHFFFAOYSA-N	401.963	5.263	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1	518756610	DLMBBMVHXUCDKX-SFHVURJKSA-N	422.598	5.039	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc(C)nc21	519424939	MOYHXAZNVIWVOF-HOCLYGCPSA-N	407.543	5.215	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1ccc(F)cc1C(F)(F)F	520160993	YZWZKISIUHQGFR-LLVKDONJSA-N	422.344	5.766	30	20	HKED	
C[C@H](NCc1ccc(OCc2ccccc2)c(Br)c1)c1ccc(C#N)cc1	520215988	LTLQOXUTTPRXKS-KRWDZBQOSA-N	421.338	5.751	30	20	HKED	
CCCC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(OC)cc1	520940236	JXKMFXSLBNWWQK-FXAWDEMLSA-N	411.571	6.142	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1	521016070	DVHVYHKZRXLISV-OAHLLOKOSA-N	417.214	5.206	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl	522171839	AWALJWGXLRPNPO-QWHCGFSZSA-N	409.338	5.651	30	20	HKED	
Cc1cccnc1[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(C)C	522311249	YWTOSAJDEBPZJU-QFIPXVFZSA-N	403.457	5.320	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(F)c(C#N)c1	524455527	ZVCKGJZXEVUPMI-UHFFFAOYSA-N	413.861	5.225	30	20	HKED	
N#CCC[C@H](NC(=O)CCSc1ccccc1Br)c1ccccc1	533051634	VITMIWYXPWBBEI-KRWDZBQOSA-N	403.345	5.093	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(-c2nnc(C)o2)c1)c1ccc(C(F)(F)F)cc1	533076715	PRDWWKMJIJEKIV-IBGZPJMESA-N	415.415	5.501	30	20	HKED	
CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	535615810	FYKLFYDFJPWSOZ-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C1CC1	535711330	AVEOIIHUENWVAC-INIZCTEOSA-N	416.550	6.007	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N[C@@H](CCC#N)c1ccccc1	536007899	OWTOTRYQPNSABX-SFHVURJKSA-N	412.415	5.179	30	20	HKED	
Cc1nc(SCCCC2(C#N)CCOCC2)c2cc(-c3ccccc3)sc2n1	537508824	CCIJUZDMTBGUKQ-UHFFFAOYSA-N	409.580	5.859	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C	538224138	NCFLBRONOJONOA-KSFYIVLOSA-N	413.562	5.393	30	20	HKED	
COc1ccc(C[C@H](NCc2ccccc2C(C)(C)C#N)c2ccccc2)cc1OC	539251965	GUIOTSYGEUXKGM-DEOSSOPVSA-N	414.549	5.579	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1cccc(Cl)c1	539622690	CHSKMMSGXSFIKV-CQSZACIVSA-N	410.930	5.338	30	20	HKED	
Cc1sc(NC(=O)c2c(Br)cccc2Br)c(C#N)c1C	540602161	YCGHHUIIQQDSRI-UHFFFAOYSA-N	414.122	5.014	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2	542106366	LTKWBZMECITPQJ-MSOLQXFVSA-N	409.533	5.867	30	20	HKED	
C[C@H](NC(=O)CSc1nccn1C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1	542989111	MGQJDBIPPBIOQR-KRWDZBQOSA-N	418.566	5.146	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cc(C)n([C@H](C)C3CC3)n2)cc1OC	543240000	QRASKLXGJUSCER-CQSZACIVSA-N	420.351	5.111	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	543880548	BHZZDEMJQDKJJF-CLOONOSVSA-N	413.521	5.099	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2(c3ccccc3)CC2)cc1	554842360	AGEXQEYVGWIIMJ-UHFFFAOYSA-N	413.496	5.141	30	20	HKED	
CC[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1	556608180	GBLNOLHDGBLNFN-VXKWHMMOSA-N	402.460	5.786	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	562082124	WTLVTMUQWVUOMG-UHFFFAOYSA-N	410.518	5.116	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1	576131435	PKGLTMMMWNVHSD-PMACEKPBSA-N	405.464	5.191	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3)cc2)ccn1	578054627	CIWQTLZKYJUTKX-QHCPKHFHSA-N	416.456	5.644	30	20	HKED	
Cc1ncsc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	584379696	OTOLPHPBASCPFA-LBPRGKRZSA-N	422.316	5.882	30	20	HKED	
Cc1noc(C)c1COc1ccccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	592974537	SSVYRQXFDQJTFG-INIZCTEOSA-N	421.453	5.109	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1	595236102	XCBVDGSNGSICCX-LOSJGSFVSA-N	410.517	5.396	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1Cl)C1CCCCC1	603983322	VWAZHWZIDAMZLK-UHFFFAOYSA-N	423.944	5.188	30	20	HKED	
Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F	604098495	RJGDHZIGPIHKSG-AOOOYVTPSA-N	420.300	5.191	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(OC)c(Cl)cc1OC	606759467	NVIAATNUETXGRL-UHFFFAOYSA-N	415.795	5.193	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	609032277	ZRXDSCQLGCWTDI-DLBZAZTESA-N	405.350	5.018	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1c(F)cccc1F	609078852	ASCUSJZPKPPTNQ-MRXNPFEDSA-N	421.447	5.607	30	20	HKED	
CCOCc1ccccc1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208668	DHAMJUADJCKMEY-UHFFFAOYSA-N	401.466	5.209	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CN2CCCCCC2)CC1	609398720	LYEQSBAGESXSDW-LJQANCHMSA-N	414.619	5.058	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1	609413868	AFYDNZOZMMAVRQ-UHFFFAOYSA-N	405.523	5.386	30	20	HKED	
Cc1cc(Br)ccc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	609555592	VGXAIVGYNCQVHJ-CYBMUJFWSA-N	418.360	5.331	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)NCc3ccc(-c4ccncc4)cc3)c2)cc1	610068971	DTLXSQQEOMLGQB-UHFFFAOYSA-N	404.473	5.294	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	610604292	MELBKNLHOOLOHT-IRXDYDNUSA-N	412.333	5.038	30	20	HKED	
CSCc1c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)oc2ccccc12	610620068	IXBCJRUBYYDOFV-UHFFFAOYSA-N	403.425	5.096	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3sc(-c4ccccc4)nc3C(F)F)CC2)cc1	611247170	BRMOYUMBJNVHEB-UHFFFAOYSA-N	421.472	5.549	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)sc2c1	611498547	RMZIELYAPSNNRI-UHFFFAOYSA-N	423.969	5.151	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612805916	RPWAOXCGLFQYKD-ZSHCYNCHSA-N	408.386	5.294	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1	618815796	RCHQUPLTNLNDSD-OSPHWJPCSA-N	411.505	5.282	30	20	HKED	
COc1cc(Cl)cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	645955527	BIEHZZYCKFFNMO-ZDUSSCGKSA-N	410.804	5.467	30	20	HKED	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674570500	LXICDRSPAXISJG-IUCAKERBSA-N	412.227	5.049	30	20	HKED	
CC[C@H](C)Oc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1	679092371	RLZQGSJNJHORQB-SMDDNHRTSA-N	419.428	5.377	30	20	HKED	
Fc1cc(F)cc(C2CC(NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)C2)c1	685421293	ZEUBZKJJQDRJQX-HFXYEQLZSA-N	401.341	5.710	30	20	HKED	
N#C[C@@H](C(=O)C1(C(F)(F)F)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	726322805	ZKCBKSSSRPKWJR-JTQLQIEISA-N	405.228	5.636	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@H](c2ccc(F)cc2)c2cccs2)cc1Cl	726447739	YONUSLRNHZKIAE-GOSISDBHSA-N	401.919	5.488	30	20	HKED	
C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1	726627334	QCJOMLKVFXPIPP-ZDLGFXPLSA-N	412.923	5.182	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc2cc(Cl)ccc2s1	727954723	SPUBJKOGUUCEPD-IBGZPJMESA-N	424.953	6.080	30	20	HKED	
Cc1c([C@H](C)OC(=O)CCC(=O)N(CCC#N)c2ccccc2)oc2ccccc12	733686877	NIWUUQMHCNIMQB-SFHVURJKSA-N	404.466	5.073	30	20	HKED	
C=CC[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccncc1	734361007	QKUUWZMWJZRNCF-QHCPKHFHSA-N	413.496	5.735	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1	744037782	DBBHZGYOYXITEZ-HZMBPMFUSA-N	408.832	5.948	30	20	HKED	
Cc1ccc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)cc1NC(=O)OC(C)(C)C	744074240	KHJRYJNUPAFTLD-KRWDZBQOSA-N	412.461	5.020	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12	745608582	WQAWTOKILSCWTQ-UHFFFAOYSA-N	421.522	5.017	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc(F)ccc2F)cs1)c1ccc(F)cc1F	746006724	RUCOHAOZIZVFPO-DAXSKMNVSA-N	420.387	5.280	30	20	HKED	
N#Cc1cc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(Cl)c([N+](=O)[O-])c1	746480677	BHFIJIXVBZDHGP-FQEVSTJZSA-N	423.881	5.592	30	20	HKED	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	748939830	GGJQVBITELMCSK-XMMPIXPASA-N	415.493	5.246	30	20	HKED	
Cn1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1-c1ccc(F)cc1	749174961	SHHFSEZMKJPOBU-BETUJISGSA-N	422.344	5.034	30	20	HKED	
CC(C)COc1cccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	752814872	XANGTKZKTQHPIP-RUZDIDTESA-N	414.505	5.394	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)ccc21	754690724	YOWJYVRZAKLHKX-DHZHZOJOSA-N	418.474	5.128	30	20	HKED	
CC(C)(C)c1nnc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1	754862664	PFSDUXKUYCFGHK-UHFFFAOYSA-N	416.403	5.662	30	20	HKED	
C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cccc(NC(=O)c2ccccc2)c1	756588611	GRMKUEVIYJYTQV-AWEZNQCLSA-N	406.388	5.007	30	20	HKED	
C[C@H](OC(=O)c1cccc(CC#N)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1	758001333	XPMATSCQLFOPPO-NSHDSACASA-N	402.237	5.027	30	20	HKED	
Cc1c([C@@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C(C)C)oc2ccccc12	761688806	OKBBRSJKYIXJMK-PKTZIBPZSA-N	417.509	5.093	30	20	HKED	
Cc1nc([C@@H](C)ON=Cc2c(C)nc3sccn23)oc1-c1ccc(Cl)cc1	763186273	IDYSINLOVVCJSZ-CYBMUJFWSA-N	400.891	5.433	30	20	HKED	
COc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)ccc1OCc1ccccc1	764273545	SSALDSOKHNZFQN-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c1	768478662	KRVCDDAYZGONEI-FQEVSTJZSA-N	420.852	5.072	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CC3(CCCCC3)Oc3ccccc32)ccc1OC	772978310	FHPLOVHVNBPIDJ-IFMALSPDSA-N	420.553	5.692	30	20	HKED	
C=C(CC)COC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	773454942	UJTHHUQZMLWLLD-AWEZNQCLSA-N	414.552	5.195	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl	775227462	PPMPFJIPIODBFC-CQSZACIVSA-N	401.919	5.114	30	20	HKED	
C[C@@H](N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccc(OCC#N)cc1	776171776	PVTGDWGGACTKGY-ZUOKHONESA-N	408.851	6.063	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1	780153702	XYPBBSLMPLNYCV-SFHVURJKSA-N	408.461	5.082	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](c3ccc(C)cc3)C2)c1=S	784025839	PWTFYCDOYXAUPF-FQEVSTJZSA-N	420.582	5.031	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)c1	786188147	ZBOCZUCFMGLXHT-LJQANCHMSA-N	418.459	5.271	30	20	HKED	
CCCOc1ccc(C(C)=NNc2nnc(-c3ccccn3)s2)cc1OCCC	788030135	KVISGLMIAUFGDP-UHFFFAOYSA-N	411.531	5.014	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc2c(=O)[nH]ccc2c1	789071357	VDNNLLANECSAKZ-UHFFFAOYSA-N	419.916	5.111	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F	789450094	CRQVYGVBONTUIU-LJQANCHMSA-N	406.448	5.412	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)cc1	789649941	NTFZJNLCAOWSNV-FXAWDEMLSA-N	419.399	5.173	30	20	HKED	
C[C@]12CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C[C@H]1C2(Cl)Cl	791204714	FOONQNZAUKIFSE-QUCCMNQESA-N	417.361	5.365	30	20	HKED	
CCc1cccc2c1OC/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O	794728231	MXUDYUBRQFHCFD-PDGQHHTCSA-N	418.518	5.357	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	796743233	FUJBDIUGLPMSJL-LJQANCHMSA-N	420.415	5.552	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1	796955837	SMZUOYHALUTOCV-QGZVFWFLSA-N	420.490	5.229	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	798010363	JFGXFXXWWDVPLW-CPUCHLNUSA-N	415.386	5.075	30	20	HKED	
COc1ccc(-c2ccc(C)c(NC(=O)Nc3ccccc3O[C@@H](C)C#N)c2)cn1	801872342	PTXGCSDXCUUFIJ-INIZCTEOSA-N	402.454	5.001	30	20	HKED	
N#CCSCCCOC(=O)c1sc2cc(Br)ccc2c1Cl	805445183	JVVAZNJJNSWSND-UHFFFAOYSA-N	404.738	5.121	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(Cc4ccccc4)CC3)n2)cc1	805855222	HMJGBCAMELAVNG-JOCHJYFZSA-N	415.562	5.207	30	20	HKED	
CC(C)(CCC#N)CNC(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1	807515847	WHIXXZBYJRECSV-UHFFFAOYSA-N	418.324	5.045	30	20	HKED	
CCc1cccc(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)c1	814293684	FKNRVZUNQYAYFE-HKWRFOASSA-N	407.564	5.005	30	20	HKED	
Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(C2SCCCS2)cc1	821635922	XKAPVEGVUJXJQG-UHFFFAOYSA-N	420.563	5.173	30	20	HKED	
O=C(Nc1cccc(C(=O)N(O)Cc2cccc3ccccc23)c1)c1cccs1	901371964	ZFFLQDSGXSSMSS-UHFFFAOYSA-N	402.475	5.185	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H]2c2cccs2)c1=S	915839706	KQFGSOOYDPXUKP-KRWDZBQOSA-N	400.548	5.262	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cccc(OCC(F)(F)F)c2)S1	915983739	UQZWUTVODXGAKQ-YBEGLDIGSA-N	406.429	5.136	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=S)Nc3ccccc3C#N)CC2)cc1	916004761	YIPGXLOLUNUYCV-UHFFFAOYSA-N	405.567	5.048	30	20	HKED	
Cc1ccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F	916025594	FTDKHDSOMYNQEV-UHFFFAOYSA-N	405.498	5.588	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc2c1O[C@@H](C)C2	916977037	HMBVMLOOPBJNEN-SJCJKPOMSA-N	424.909	5.286	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917043315	JUEBILXZPFODOT-WFASDCNBSA-N	420.481	5.813	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc(F)cc3F)cc2Cl)cc1	917600500	WCEBNLZFACUVHW-UHFFFAOYSA-N	415.852	6.091	30	20	HKED	
CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	919910099	LZPPVHMHTJDPSF-UHFFFAOYSA-N	423.476	5.200	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc(Cl)s2)n1	920107910	JCFRBLFHKXHAIR-LLVKDONJSA-N	422.318	5.140	30	20	HKED	
Oc1nc2cc(F)ccc2cc1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	1473928630	XOLWJZWHRYKTKL-IMRBUKKESA-N	410.333	5.079	30	20	HKED	
CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)CC1	1789115229	RPYMZYKQFADPDH-HXUWFJFHSA-N	413.521	5.052	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1	1831367034	DTCZAGGDPOPWBD-GPUOULLFSA-N	424.629	5.258	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(C(C)C)cc2)nnc1-c1ccccc1OC	23468425	HAENXHYJOWGFNF-UHFFFAOYSA-N	407.539	5.238	30	20	HKED	
Cc1cc(CN(C)C/C(O)=N/c2nc(-c3ccc(Cl)cc3Cl)cs2)no1	29728253	PHSVOIAMBMXYTB-UHFFFAOYSA-N	411.314	5.133	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2ccccc2s1	41499525	SAQAQKFQGHULAS-SFHVURJKSA-N	400.434	5.156	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3ccsc3)c2)c1	48126002	FZZQDBHOEONBIF-NRFANRHFSA-N	416.506	5.241	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1	56758113	VKADXFCIWSVNPT-QHCPKHFHSA-N	403.526	5.178	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)c(OC)c1OC	96765896	QYHVNAIWIPEZAE-DAXSKMNVSA-N	417.255	5.117	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1	108431589	UGENZMNEXQHGSY-UHFFFAOYSA-N	416.521	5.114	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)C1(C#N)CCCC1	149057665	YPRWHMMTWGOEBJ-UHFFFAOYSA-N	415.415	5.289	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl	195618129	FUWNIRJSHXPGAT-ZDUSSCGKSA-N	408.304	5.687	30	20	HKED	
CC(C)OC1CCC(Nc2ccc(C#N)c(NC3CCC(OC(C)C)CC3)n2)CC1	302887815	OBAFWZGJBNXRLR-UHFFFAOYSA-N	414.594	5.249	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F	303805482	AXBVCRASQSVXHQ-PKOBYXMFSA-N	405.404	5.074	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	303847266	MWCBSDNGAASBMF-GJZGRUSLSA-N	406.473	5.774	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1csc(-c2ccoc2)n1	409470811	RZQHXDZDDKWTJB-UHFFFAOYSA-N	401.447	5.628	30	20	HKED	
Cc1cnc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[nH]1	427181102	CABFTIPMGMJAEZ-UHFFFAOYSA-N	408.461	5.496	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1ccccc1C	429699523	XNLFSRFPYAEHEU-UHFFFAOYSA-N	413.525	5.201	30	20	HKED	
Cc1cc([C@H]2CCCN2Cc2nnc(-c3cccc(C#N)c3)o2)ccc1Br	430213011	ADZQHFKHWUDWOG-LJQANCHMSA-N	423.314	5.016	30	20	HKED	
COc1ccc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2c1	431351691	NRNCJYUNGMFKKN-UHFFFAOYSA-N	422.484	5.746	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(CCN2CCCCC2)cc1)c1ccccc1	432904967	JDXOFNFUUDUQIJ-DEOSSOPVSA-N	404.558	5.272	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(Cl)cc1Br)c1ccccc1	433274933	OIHQWTYLCQPGNB-MRXNPFEDSA-N	406.711	5.659	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C#N	435556004	AQNRMHUWKZGFAR-UHFFFAOYSA-N	420.538	5.367	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)cc1	437170613	HTUNCAMNTRBSNJ-UHFFFAOYSA-N	406.432	5.045	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)CCc2ccc(C)o2)cc1	438188949	RYNWVKGSAJTYIY-INIZCTEOSA-N	419.481	5.403	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1	439315251	LVZJPXJYOZRIKG-OAQYLSRUSA-N	401.466	5.654	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1C	442037634	XUDHAVMLUWLXFG-SNVBAGLBSA-N	403.223	5.031	30	20	HKED	
CC(C)(C)CNC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	442670052	IAQBHRGXXABZKG-IBGZPJMESA-N	417.534	5.076	30	20	HKED	
Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)cs1	442861859	YZWLDKBBFOKMFU-KRWDZBQOSA-N	402.504	5.127	30	20	HKED	
Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cn(CCCC#N)c2ccccc12	444082583	NTPDZCDJHZGPGI-UHFFFAOYSA-N	422.532	5.491	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cc1	444895585	KHQMWAGXRBOCFA-UONOGXRCSA-N	418.360	5.584	30	20	HKED	
CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](c1ccc(Cl)cc1)c1cccnc1	445792293	CFDNTEDLKURRJM-OAQYLSRUSA-N	411.839	5.137	30	20	HKED	
C=CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)c1nc(-c2ccccc2)cs1	448096370	GPNFLHYGNHZFKP-UHFFFAOYSA-N	412.474	5.170	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)c1cccc(Cl)c1	460164158	LXUOKAKACLQHGR-QGZVFWFLSA-N	404.897	5.841	30	20	HKED	
CN(C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463662734	UKXZVTODEGZZGD-SCDSUCTJSA-N	418.328	5.331	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)nc(C(F)F)n4C)n2)cc1	467196925	RVZREWNHWIZCQB-OAHLLOKOSA-N	422.460	5.433	30	20	HKED	
CC(C)n1c([C@@H]2CCCN2C(=O)CSCc2ccc(C#N)cc2)nc2ccccc21	467490210	AWQUXVKLBWEMPT-QFIPXVFZSA-N	418.566	5.086	30	20	HKED	
C=CCCN(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	468185758	HRMITVMBMPZKFW-VKAVYKQESA-N	407.495	5.170	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)ccc1F	468638276	ANWUGSFPEBRFAJ-CYBMUJFWSA-N	408.951	5.745	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)c1cccc(F)c1	469097288	URXGWRQAJDETEA-QGZVFWFLSA-N	416.452	5.124	30	20	HKED	
C=C(C)[C@H](NC(=O)c1cc(F)c(F)cc1Br)c1ccc(F)c(F)c1	475677324	MDOITMWIQNEDKO-INIZCTEOSA-N	402.185	5.053	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(I)c1	476123577	VIUHWXDDUPOELL-UHFFFAOYSA-N	419.306	5.704	30	20	HKED	
Cc1sc(NC(=O)C[C@H](CC#N)c2ccccc2)nc1-c1c[nH]c2ncccc12	476523794	JVVDGPCFHYRXPH-INIZCTEOSA-N	401.495	5.021	30	20	HKED	
N#Cc1ccc(C[S@](=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1F	478353330	IJPKFRRILQBVGU-NDEPHWFRSA-N	424.444	5.289	30	20	HKED	
N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1cnc2ccccc2n1	483240931	UUTOZUHGENWZTJ-FQEVSTJZSA-N	402.457	5.123	30	20	HKED	
N#CC[C@@H](CC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1)c1ccccc1	483466808	XNTHGLYAKMOBRJ-DHLKQENFSA-N	423.516	5.061	30	20	HKED	
C[C@@H]1CCSCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	483855949	RRUVEAOMZBSOHX-CQSZACIVSA-N	401.919	5.363	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1	484798621	PJRAEPYIXBUTNR-ZDUSSCGKSA-N	411.221	5.494	30	20	HKED	
Cc1ccc2ncc(C#N)c(N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2c1	488081915	CBFRJKCZEVPINF-QFIPXVFZSA-N	416.912	5.021	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](C)CC	498035157	CWCRUTVBEDYNPX-HRAATJIYSA-N	404.938	5.300	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)CCc2ccc(C#N)cc2)c(C(F)(F)F)c1	499588151	TXTHWDMDAYXHBG-AWEZNQCLSA-N	406.473	6.039	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	499691177	DILRWSVDHXAOHL-IRXDYDNUSA-N	404.297	5.043	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1	500307499	TXLOGPYQYVNPTE-UHFFFAOYSA-N	423.463	5.109	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1	505046837	ZTQZEMSMSIJKOP-UHFFFAOYSA-N	408.933	5.426	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(C#N)cc1	505364772	VLVSNXSYZOFJSN-INIZCTEOSA-N	412.518	5.641	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cs2)c1	505922081	DQIIDVNJZDOQGK-SFHVURJKSA-N	415.440	5.061	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(F)c(F)c3)n2)cc1	509308174	YTHJJXXLVYHNDX-UHFFFAOYSA-N	413.449	5.047	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1Oc1cnn(C)c1	509568295	JBQJZRGBQAHAOE-UHFFFAOYSA-N	424.460	5.437	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccccc2Cl)CC1	510080145	WTZHSKBXDRHGHL-MRXNPFEDSA-N	411.958	6.055	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1	510856369	DXCMFYHGRBUXQW-DEOSSOPVSA-N	415.468	6.167	30	20	HKED	
CCc1noc2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc12	516441831	AFVPWTNEAKIONK-UHFFFAOYSA-N	418.840	5.355	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	517656856	APHWCMDWIZFFTH-UHFFFAOYSA-N	408.404	5.707	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cc1	518196368	ZAJNFNRILJJKLV-UHFFFAOYSA-N	416.531	5.102	30	20	HKED	
COc1ccc(CC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1	518683112	IWEBMLFMIBBTKJ-SFHVURJKSA-N	423.582	5.434	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)cc2)cc1	519052445	UKOSFVJLUQOLNL-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
Cc1cccnc1[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)C	523768406	PUHJRBHVWLANIQ-QFIPXVFZSA-N	400.482	5.573	30	20	HKED	
Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	523797542	GEGQYNGAMYFIKL-IBGZPJMESA-N	401.485	5.479	30	20	HKED	
CCSCc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	525097528	FKFAGXVQWFLTND-UHFFFAOYSA-N	418.566	5.586	30	20	HKED	
CCSc1ccccc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	534329755	DZTFXYPWVCKFJL-QFIPXVFZSA-N	402.519	5.372	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1	536750410	GVFUEMXUCTUCJY-UHFFFAOYSA-N	400.478	5.687	30	20	HKED	
C=C(C)Cn1c(SCc2c(F)cccc2Br)nnc1-c1ccncc1	537849952	CFJJOPNRTCWNNC-UHFFFAOYSA-N	419.323	5.110	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)c2)o1	538049124	IALQCFYRFICVID-UHFFFAOYSA-N	408.461	5.510	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)N1CCC(F)(F)C1	539537346	IGBOPGZUFPXKIM-UHFFFAOYSA-N	408.314	5.233	30	20	HKED	
CN(C(=O)CCCC(F)(F)F)c1ccc(NC(=O)CCCC(F)(F)F)cc1F	539962481	RSPAKHZCEYRDRV-UHFFFAOYSA-N	416.337	5.192	30	20	HKED	
C[C@@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	540592226	WMZIQGIOOWIVTH-MWTRTKDXSA-N	424.953	5.055	30	20	HKED	
CCCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	541950258	OZOCJGXODYHGMW-AWEZNQCLSA-N	405.310	5.213	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	542349035	BVBXBUVMSBOANC-UHFFFAOYSA-N	424.504	5.316	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1Cl	551700227	KYKDKJZTRUXFGR-UHFFFAOYSA-N	410.901	5.037	30	20	HKED	
C[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	555376218	BPNVOGXERZFGEB-AWEZNQCLSA-N	421.488	5.830	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)cc1	557355278	WEJWIBNATCHRFF-UHFFFAOYSA-N	404.457	5.514	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3occc3COc3ccccc3)cc2)ccn1	562190687	WSTOIIYEKIQMPY-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](NCc1ccc(Oc3ccccc3C(F)(F)F)nc1)CC2	564422685	CYJOSJDGBUAXBF-HXUWFJFHSA-N	409.411	5.541	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@H]3Cc3ccccc3)cc2)ccn1	564433374	KRUBFNRDNOLTLL-QFIPXVFZSA-N	412.493	5.375	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2n[nH]cc2c1	566637571	WXWVCCILPHELDI-INIZCTEOSA-N	412.518	5.218	30	20	HKED	
CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1	573896617	BNQKZNJYJQYWLL-DEOSSOPVSA-N	411.505	5.147	30	20	HKED	
CCCN(CCN1CCCCCC1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	578674145	ZTEKTQXWVFCMTJ-IBGZPJMESA-N	402.608	5.058	30	20	HKED	
CC1(C(=O)Nc2cccc(F)c2Cl)CCN(c2ccc(Cl)cc2C#N)CC1	580495606	COYNEXWIQASKCQ-UHFFFAOYSA-N	406.288	5.249	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	589740176	LUWSQPSEIHWFSQ-STQMWFEESA-N	410.358	5.236	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)CSCc3ccc(C#N)cc3)cc2)cs1	603687195	IIRYMSVPDBHVHF-OAHLLOKOSA-N	407.564	5.101	30	20	HKED	
Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604088400	QUJLFEWDPCHLHC-OAQYLSRUSA-N	420.900	5.711	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CCC(C(=O)c2ccc(Cl)cc2)CC1	608080357	KUWOCMVMGDDSSV-UHFFFAOYSA-N	411.839	5.137	30	20	HKED	
CC(C)c1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)o2)cc1	608930112	KTMXNGICGOLKAX-QGZVFWFLSA-N	420.538	5.287	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	609176703	VRPUWWZRYNHOOQ-UHFFFAOYSA-N	413.477	5.085	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccccc1SC[C@@H](C)C#N	609387200	SHISUOKCFJMHEE-UONOGXRCSA-N	403.935	5.039	30	20	HKED	
CO[C@H](C)CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(C)C	610141107	FZKOZJLSDCNPFU-OAHLLOKOSA-N	401.894	5.281	30	20	HKED	
CC(C)=CCSc1ccccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	610153476	QUNVYUNVCJBWFN-UHFFFAOYSA-N	406.551	5.300	30	20	HKED	
C[C@@H](NCc1ccc(OCc2ccccc2)c(Br)c1)c1cccc(C#N)c1	610344918	MMJASJJBFIFFBH-QGZVFWFLSA-N	421.338	5.751	30	20	HKED	
C[C@@H](NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1	610408189	MRAVMOFYGJQZRT-QRWLVFNGSA-N	401.432	5.575	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)nc(C)n1	613295999	PLGQMOOEYQOHNO-QHCPKHFHSA-N	413.521	5.460	30	20	HKED	
Cc1cccc2nc(C3CCN(C(=O)c4c(Cl)cc(C#N)cc4Cl)CC3)oc12	614900418	NMTCQTQUUSUZMW-UHFFFAOYSA-N	414.292	5.335	30	20	HKED	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cn(CCCC#N)c2ccccc12	618200749	SQNBSLBZRUKFPR-OFVILXPXSA-N	415.537	5.185	30	20	HKED	
O=C(NCc1c(F)cccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	621421785	IMTXNXTZYBDTMK-MYJAWHEDSA-N	420.756	5.188	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc2ccccc2n1C(F)F	642282546	DPAYWQUGIPDOKZ-AWEZNQCLSA-N	421.428	5.542	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1cc(C(F)(F)F)ccn1	643777176	QVJJWDFZFPJTQP-SFHVURJKSA-N	400.331	5.522	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc(C)cc2)c1	726573378	BKBQZYWDWWOSFX-UHFFFAOYSA-O	405.930	5.241	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cc1Cl	727980481	NDYBTSBCVCPVFB-UHFFFAOYSA-N	411.958	5.288	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc2cc(Cl)ccc2s1	728765620	NDHWQZOJYVMIKB-KGLIPLIRSA-N	408.832	5.862	30	20	HKED	
CC(C)COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1	730145179	QSTSDWAQYDPGLV-UHFFFAOYSA-N	400.935	5.141	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C[C@@H](C)C1CCCCC1	731079365	ZPNAYLPWPZCPJR-DLBZAZTESA-N	402.560	5.027	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCC(=O)Nc2cccc3ccccc23)c1	732231168	JMHYSCCDBKIWCH-UHFFFAOYSA-N	421.500	5.019	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	732495637	DZONEKFNZCFYNS-SJCJKPOMSA-N	407.322	5.069	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)O[C@H](c3ccccc3)c3ccncc3)cc2)nc1	732499115	JNZBUCYMEUOQIX-XMMPIXPASA-N	407.429	5.087	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Cl)cc1	733079521	FMMXPRHXOSOSTE-UHFFFAOYSA-N	405.811	5.437	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1	733218167	UCCZGZOEQGRQCW-HSZRJFAPSA-N	411.436	5.317	30	20	HKED	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	733680651	ATOVYLYDBHGPKO-JOYOIKCWSA-N	409.269	5.386	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(OC3CCCCC3)cc2)c1	733847528	OXSOLVLUXWEBBI-OAQYLSRUSA-N	421.541	5.078	30	20	HKED	
CCCN(CCC)c1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1	734234838	FEQIYOCAZIBRMD-VGOFMYFVSA-N	406.570	5.170	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1)c1ccncc1	734657184	DDPITDWHGUUFSO-LAUBAEHRSA-N	409.530	5.089	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)OC1CCN(c2ccc(Cl)cn2)CC1	735217783	DHQLTWPVMPFJEO-UHFFFAOYSA-N	417.896	5.099	30	20	HKED	
C[C@@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccc2ccccc2c1	735319963	GXYRUCVUPQCLNO-MRXNPFEDSA-N	424.953	5.506	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CSc2ccccc21	735770645	WCYYNJVNKGOHEH-OALUTQOASA-N	414.486	5.016	30	20	HKED	
CC(=O)Nc1ccc(/C=C2\CC(C)(C)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1	736434422	SGDNZIZRMFSJFD-JFMUQQRKSA-N	416.521	5.460	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCc3ccccc3[C@H]2CC)c1=S	738243939	RZNXULGTLIWBCZ-OAQYLSRUSA-N	420.582	5.243	30	20	HKED	
CCc1ccc([C@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	739154982	OGCHXBSTBRIYMA-CXAGYDPISA-N	403.309	5.397	30	20	HKED	
CC[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccc(C)cc1	739159887	OSDDQQZNFATNLO-DYESRHJHSA-N	404.535	5.887	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl	741066981	DOIIFYBCWBAMSK-WBMJQRKESA-N	424.353	5.100	30	20	HKED	
Cn1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1-c1ccccc1	741907779	RKXOYGKLZKDULJ-UHFFFAOYSA-N	421.500	5.589	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(Cl)cc(Br)c1	747201686	ZUSDBFFLOJDNNM-OAHLLOKOSA-N	415.674	5.098	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cnc(-c2ccccn2)s1	753144988	SQOQWCKIQSUTNG-MDZDMXLPSA-N	407.495	5.672	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](OC(=O)c3ccc(COc4ccccc4C#N)o3)CCO2)cc1	757521722	VKFPAYKZGDLRRR-RDPSFJRHSA-N	417.461	5.116	30	20	HKED	
C[C@H](OC(=O)c1ccc(CC#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	758697199	XMGPRNQLQSNQFY-NSHDSACASA-N	402.237	5.027	30	20	HKED	
CCN(CCc1ccccn1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	761409295	RXDSMGGZUSFVGM-UHFFFAOYSA-N	405.885	5.104	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)c(F)c1	772796682	KEAIWXLNLFJQBH-NTUHNPAUSA-N	413.886	5.873	30	20	HKED	
C#CCCCCC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	773302226	LXDWYYGFWQJKEO-ZDUSSCGKSA-N	405.361	5.252	30	20	HKED	
C#CC[C@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1	775398378	HVOYDQXXRCBKED-AWEZNQCLSA-N	416.135	5.593	30	20	HKED	
C#CCOc1cccc(Cl)c1CNc1cccc(CN(C)Cc2cscn2)c1	778173953	VCOPMEFLNQWEKZ-UHFFFAOYSA-N	411.958	5.053	30	20	HKED	
CC(=O)N1C/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)c2ccccc2C1	778519106	FQNXHYJUVJYGJH-LPYMAVHISA-N	415.464	5.033	30	20	HKED	
C[C@H](Nc1ccccc1O[C@H](C)C#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	779712902	NPZTXBCCXVEVKL-NEPJUHHUSA-N	403.269	5.507	30	20	HKED	
C#CCCCCCC(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C	779915611	JJGFNLXLKHDKJH-UHFFFAOYSA-N	416.871	5.118	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(C(F)(F)F)cc1	780668015	PVEAZALSMCVFDU-KUHUBIRLSA-N	405.420	5.515	30	20	HKED	
COc1cc([C@@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OC1CCCC1	780671958	XXMCXFKWTQJAJR-DLBZAZTESA-N	423.513	5.190	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1cc(Br)cs1	782370334	TXVVYWAFHATBHX-ZZXKWVIFSA-N	400.297	5.381	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)oc2c1ccc1ccccc12	786545269	AUQFRLCYQPZBPY-HXUWFJFHSA-N	416.864	5.187	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(N2CCC(O)CC2)cc1	789141826	HEZYQJMNOZVKAO-MDZDMXLPSA-N	424.953	5.321	30	20	HKED	
C=C(Cl)COc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3OC)nc2)cc1	792885075	NKPYGJIAYUYGQZ-KPKJPENVSA-N	406.869	5.180	30	20	HKED	
C[C@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	803835527	RQJNVZITDBIPCX-HNNXBMFYSA-N	420.852	5.188	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](NCc1ccc(Cl)cc1C#N)c1ccccc1	810133672	KJPPUXVNVLPNNV-NRFANRHFSA-N	413.949	5.347	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nc(-c2ccccc2)cs1	810534281	METWTLHLUUIHSC-SJORKVTESA-N	407.926	5.166	30	20	HKED	
N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cc(C(F)(F)F)ccn1	813215896	CPVSVIFMRZULCV-HNNXBMFYSA-N	421.831	5.296	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(Cl)c(Br)c1	813399653	QSOQOGUETPZWQO-JTQLQIEISA-N	410.724	5.002	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3ncccc3C(F)(F)F)s2)cc1	814801359	HSZQSWJOHISSKS-UHFFFAOYSA-N	406.433	5.377	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H](F)C(F)(F)F	815113240	UGYBAKFOFNPTPB-CQSZACIVSA-N	422.300	5.105	30	20	HKED	
Cc1c(C#N)c(NC(=O)COC(=O)c2csc3ccccc23)n(C2CCCC2)c1C	824978392	VRZLHZJJZFSSJV-UHFFFAOYSA-N	421.522	5.102	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H](F)c1ccc(C(F)(F)F)cc1	857478448	JQPVBBZJYHKHCF-GJZGRUSLSA-N	411.292	5.665	30	20	HKED	
CCCCc1ccc(-c2csc(NC(=O)c3ccccc3SCC#N)n2)cc1	883995999	CHTNEOKOWZTAKM-UHFFFAOYSA-N	407.564	6.021	30	20	HKED	
COc1ccc(-c2nc(C(=O)N(O)Cc3cccc4ccccc34)cs2)cc1OC	901370699	LTUWIRVRAXJEOM-UHFFFAOYSA-N	420.490	5.012	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ncnc3c2oc2ccccc23)cc1	914773199	NKSNHONIZVUXGM-UHFFFAOYSA-N	416.485	5.086	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)cc1	916913728	RLELBQUEIZMFNS-KOSHJBKYSA-N	413.521	5.238	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccccc2)cc1	916915116	DKPNOCNROHWFNU-QHCPKHFHSA-N	406.441	5.593	30	20	HKED	
C/C=C\c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)c1	916972243	LVWFYWDEDQCLHG-HMECNJMJSA-N	418.518	5.416	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c[nH]c3ccccc23)cs1	917560736	XXCIWGVRNSZGHP-FLIBITNWSA-N	405.454	5.344	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1	918128433	USFLJEMQUVCVMM-IBGZPJMESA-N	420.299	6.382	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(Cl)cc3)n2)cc1	920141214	HTNOVXAAJYZJCF-SFHVURJKSA-N	423.950	5.445	30	20	HKED	
C=CCCO[C@H](C)C(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1	921216972	DAPFZIZDIGBMIC-IAGOWNOFSA-N	412.917	5.323	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1	1799623657	WEPIFPOYQKTERJ-BJWYYQGGSA-N	423.384	5.238	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1824144008	YQVATTIRIPXYHA-HSZRJFAPSA-N	400.607	5.121	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2C)CC1	1828828592	MYWDGJFRVUJSTR-UNMCSNQZSA-N	414.615	5.058	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c3c(C)noc3n2)cc1	22227244	KELPKEUBWLXHLI-UHFFFAOYSA-N	402.841	5.284	30	20	HKED	
COc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)cc1	22731252	ZIZVCBVTRYMZFV-UHFFFAOYSA-O	419.570	5.465	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1	32339973	GJNUNWDDFFURAT-JOCHJYFZSA-N	400.503	5.104	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(SC2CCCC2)cc1	58421575	BUUSJYQZGMDQJR-UHFFFAOYSA-N	409.555	5.273	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1	72074634	TWMHVGHXXVFTQS-SFHVURJKSA-N	415.493	5.415	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1	107794668	SIGGIYVHSMIPRZ-UHFFFAOYSA-N	406.482	5.148	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(Br)sc2Br)cc1Cl	227265150	AFWXOYQYCJZMTE-UHFFFAOYSA-N	420.513	5.050	30	20	HKED	
N#CCc1ccc(NC(=O)CN[C@H](c2ccccc2)c2cccc3ccccc23)cc1	261470316	UHVUSGIVNSNDGH-HHHXNRCGSA-N	405.501	5.224	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cc(-c2ccccc2)on1	302705017	YGNCLCAAKURJIK-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1	303260245	FATTXSUAUJUTEN-HNNXBMFYSA-N	420.538	5.538	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)oc1-c1ccccc1	303283074	JEAIRZXZQFUTNV-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1ccccc1	410098461	FTIWGZQMEMIRLK-SFHVURJKSA-N	418.434	5.580	30	20	HKED	
N#CCC1(CN[C@H]2CCCc3nc(-c4ccccc4Br)sc32)CC1	430748805	GKEJBLYPTQHBHC-HNNXBMFYSA-N	402.361	5.233	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	433988783	TWDKJJMKMACRCP-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
N#Cc1cc(NC(=O)NCc2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1	438550601	ZKJRWOVOFKNYEE-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C)cs1	438660384	IRRMEJNESFTSMA-QFIPXVFZSA-N	424.501	5.702	30	20	HKED	
C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(Cc2ccccc2)no1	439559395	BQDDAXQMZKBZPV-SFHVURJKSA-N	410.477	5.284	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)n1	443522840	QRQPFEYVAXAHEG-GFCCVEGCSA-N	413.886	5.292	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1	443912768	FWFZCSCRMVTJQM-UHFFFAOYSA-N	402.498	5.182	30	20	HKED	
CCc1noc2ncc(C(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)cc12	460342297	ZLGPARXBDWVTRG-UHFFFAOYSA-N	416.868	5.157	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)CC1	460574758	FVCHNWKBPGUQMW-HTAPYJJXSA-N	418.969	5.043	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1cc(C(F)(F)F)ccn1	464412711	WKDFBCCYPHNPCN-SFHVURJKSA-N	414.358	5.309	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2C#Cc2ccccc2)o1	467387599	HFOYHGPTVODPFV-HSZRJFAPSA-N	400.478	5.195	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCOc4cc5c(cc43)CCC5)ccc21	469114024	TXMZJHDGKZCHRV-QHCPKHFHSA-N	415.537	5.084	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1	473582462	LHMGBBHSSXWITP-KBPBESRZSA-N	408.445	5.363	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1	475011192	YTPCHLQNKSVZGD-SFHVURJKSA-N	424.570	5.163	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1	475567128	BROWIRFJOGTXKR-IBGZPJMESA-N	411.521	5.913	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1Br	476078942	INQFPBSOCFKBTI-AWEZNQCLSA-N	420.322	5.846	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1ccccc1)C2	476331710	CCFSRORRANENHV-JYFHCDHNSA-N	410.517	5.409	30	20	HKED	
C=C(C)[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(F)c(F)c1	480665945	CMHVGNMITAAHNC-QMHKHESXSA-N	419.537	5.649	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1	480808019	VOXUKCLAPLZKTF-AWEZNQCLSA-N	405.951	5.150	30	20	HKED	
O=C(NCc1ccc(C(F)F)cc1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	482376270	MDHVWJXMHRMHFP-CQSZACIVSA-N	424.316	5.328	30	20	HKED	
CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(OC)c(OC)c1	482431405	GKCBFNMQSFLMTL-UHFFFAOYSA-N	402.450	5.034	30	20	HKED	
Cc1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1OCc1cccc(Cl)c1	482487532	XRXYTORAEWIJGE-UHFFFAOYSA-N	401.869	5.087	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1	482927120	JDSKWAOFINZVOZ-UTKZUKDTSA-N	411.546	5.243	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nccc2ccccc12	483219930	MUNUTRUGEDMAKV-OAQYLSRUSA-N	422.444	5.245	30	20	HKED	
Cc1nc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)sc1SCC#N	486035678	LAPBVNGHIUSFCQ-UHFFFAOYSA-N	412.367	5.434	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)N[C@@H](CCCC#N)c2ccccc2)c1C	487347555	XQUALFSLRWGZRK-NRFANRHFSA-N	418.566	5.133	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(-c2ccncc2)cs1	488188182	VTLZLKBDNNMVFG-MRXNPFEDSA-N	410.502	5.235	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1	489781561	SLBYGEGEYOLFEV-UHFFFAOYSA-N	417.490	5.185	30	20	HKED	
C/C(=C\c1ccccc1)CN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	493311083	QTPZQINDOVOPHM-SFQUDFHCSA-N	402.523	5.173	30	20	HKED	
CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	497244637	CFAMSQDVVJIYSK-OAQYLSRUSA-N	404.539	5.467	30	20	HKED	
Cc1cc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)sc1-c1ccc(F)cc1	497902536	BIGSQCJLTJPCEL-UHFFFAOYSA-N	402.454	5.172	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	498721788	LZJKHYDIWPDFOH-HXUWFJFHSA-N	417.557	5.375	30	20	HKED	
COc1ccc([C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)cc1	499547467	ZMOXIQKHRLBQPC-FQEVSTJZSA-N	414.530	5.348	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1CC(C)C	501097688	BWPCITFBFWBKFU-HXUWFJFHSA-N	406.917	5.409	30	20	HKED	
CC(C)c1sc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)nc1-c1ccccc1	504091592	SOABDKASRXSTAS-QFIPXVFZSA-N	413.543	5.134	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1	505010899	NHIMXTJEPRWVSD-UHFFFAOYSA-N	424.932	5.953	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)CC1	506716804	FDQFBBWSVMLZMF-UHFFFAOYSA-N	413.909	5.205	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1	511211107	HNMJMZVBTLFUMS-UHFFFAOYSA-N	406.338	5.044	30	20	HKED	
C[C@H](N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C(=O)Nc1ccccc1C#N	511403141	DFMIUBFVIWVXTH-SBUREZEXSA-N	403.913	5.112	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c1	513300229	HJCBYFOBYCWVCQ-UHFFFAOYSA-N	414.358	5.547	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)o1	515647350	JMGNHPLNBVICAB-HSZRJFAPSA-N	412.489	5.412	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc2ccccc2c1	518143340	FZMRPSDYGJOWLC-KRWDZBQOSA-N	402.519	5.693	30	20	HKED	
CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	521956777	CERZZSZNWHAYNE-UHFFFAOYSA-N	419.484	5.685	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)C1	522645002	XHWDIHKZTMPEQK-LFPIHBKWSA-N	418.472	5.109	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H](C)c2cccc(C(F)(F)F)c2)cc1	522702016	BRUKEZBZPLTPKW-OAHLLOKOSA-N	419.447	5.236	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1)C1CC1	523007025	YITPSZHVYKDECP-MRXNPFEDSA-N	422.554	5.093	30	20	HKED	
Cc1[nH]nc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1-c1ccccc1	523333349	TZJCNUZGCFSHMM-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(Cc2ccc(F)cc2)s1	524277134	DNMDBFFKRJEVSZ-UHFFFAOYSA-N	406.935	5.416	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCOc4ccccc43)cc2Cl)c1	524455479	XGAXEWARTWSNNY-HXUWFJFHSA-N	418.880	5.295	30	20	HKED	
C[C@H](c1nnc(S[C@H](C#N)C2CCCCC2)n1-c1ccc(Cl)cc1)N(C)C	524535767	RQTQUEQLBPZCPT-RDTXWAMCSA-N	403.983	5.108	30	20	HKED	
N#CCCn1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)n1	525501347	YCONHNPHXHIYMA-UHFFFAOYSA-N	401.253	5.148	30	20	HKED	
CC(=O)N(c1nc(CSc2ccccc2C#N)cs1)c1c(C)cc(C)cc1C	525600369	SDHZILJLYWZXJE-UHFFFAOYSA-N	407.564	5.917	30	20	HKED	
N#CCC[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1	533359677	AGNUYCBQNSJSEJ-HSZRJFAPSA-N	403.913	5.727	30	20	HKED	
COC(=O)c1cccc(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c1C#N	533690418	YZXRYJNUHLASDH-QFIPXVFZSA-N	408.860	5.017	30	20	HKED	
CCc1nc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n[nH]1	535190912	NGPUXHAIKSZVNI-UHFFFAOYSA-N	423.476	5.145	30	20	HKED	
C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(CC#N)cc1	535472239	IAZUJZGVAYGNGA-IYBDPMFKSA-N	409.917	5.061	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1F	535527377	BPNPBVLFZALNPB-SFHVURJKSA-N	409.442	5.050	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1)c1ccccc1	536192862	RCEXOGFRPNUBJJ-IFMALSPDSA-N	401.554	5.683	30	20	HKED	
COc1ccc([C@@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1	537040618	JWLSJIWVGPRWGT-SBUREZEXSA-N	411.571	5.015	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc1	537516349	OBKKJSGGYNPRSS-TZIWHRDSSA-N	423.513	5.074	30	20	HKED	
Cc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)nn1-c1cccc(Cl)c1	539634172	OVYZOEFVJNULDI-UHFFFAOYSA-N	416.916	5.223	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1	540098388	AWPWEDHHMNWZEC-OAHLLOKOSA-N	423.398	5.079	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)c2)c1	540644682	PLUFWNMBCAPBJA-DQEYMECFSA-N	420.459	5.035	30	20	HKED	
C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1	542099829	NGVIKMFCMITGDS-SFHVURJKSA-N	408.505	5.302	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	549205067	XKBVXVAEDRHTPK-SFHVURJKSA-N	416.550	6.019	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(-c2c(F)cccc2F)cs1	551706590	LPPQUVDQDGKRJD-JKSUJKDBSA-N	410.445	5.082	30	20	HKED	
CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1)C(C)C	554011484	CCDRSZAYPZZVNU-SFHVURJKSA-N	410.468	5.152	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)CC1	554602657	FLSACEYBSUHSSL-DEOSSOPVSA-N	424.548	5.022	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)ccn1	555119728	PLINVVANMNMERN-UHFFFAOYSA-N	423.394	5.435	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)cc1	558331182	YVXCRMJPHIXDBX-YKSBVNFPSA-N	417.553	5.506	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(COC2CCCC2)cc1	562197404	MVJXKXUTIYWFCM-UHFFFAOYSA-N	410.562	5.533	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F	570874649	QOTTUCTZSIIHKJ-VIFPVBQESA-N	408.317	5.164	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SCC#N)C(c1ccccc1)c1ccccc1	574833371	BECZSOMLOMUURN-UHFFFAOYSA-N	415.562	5.352	30	20	HKED	
O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	579846859	KCZHJFGSROFWNQ-LBPRGKRZSA-N	401.297	5.178	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)cc2)ccn1	584024248	ZGXKXJHOMBMFIY-JOCHJYFZSA-N	418.884	5.768	30	20	HKED	
C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](OC1CCOCC1)c1ccccc1	589586028	ZMZLRYJQGFIHSC-YCRPNKLZSA-N	404.432	5.314	30	20	HKED	
CCSc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1	590208053	LYXKUQBITITSEI-LBPRGKRZSA-N	407.442	5.312	30	20	HKED	
CC(=O)c1sc(NC(=O)CCCCOc2cccc(C#N)c2)nc1-c1ccccc1	599469484	JZSQWETUPYYMRG-UHFFFAOYSA-N	419.506	5.072	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)c(Cl)cc1Cl	603600844	DYNCEYDKVPDAPC-UHFFFAOYSA-N	416.239	5.752	30	20	HKED	
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	603809296	HHLCGTMVCBPVIU-OAHLLOKOSA-N	407.857	5.113	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)oc2c(Cl)cccc12	603898114	YQYCPKCFIHDYNY-UHFFFAOYSA-N	408.763	5.460	30	20	HKED	
COc1cc(Cl)ccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	604470273	ZRAGHSXZXGWPAC-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(-c2ccccc2)nc1C	608805923	TZVROXBGZBEWBV-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
CCCN(C(=O)NCc1ccc(C#N)cc1F)[C@H](C)c1ccc(Cl)c(Cl)c1	609254415	NDTOFZVPDDWQOM-CYBMUJFWSA-N	408.304	5.687	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1	609384630	ZJZGRXJKEOIWNV-GOSISDBHSA-N	402.519	5.765	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(F)cc1C(F)(F)F	609402817	BVSYSQHEUHJHEO-GFCCVEGCSA-N	411.424	5.418	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(OCc4cccnc4)cc3)cc2)c1	609427183	SWPDTEDSAYTCDM-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
COCCCOc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	610226320	YTFFWSZAIJPGNR-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
CC(C)(C#N)c1ccc(CNC2(c3ccc(Br)cc3)CCOCC2)cc1	614171181	XLTRKHYFGCPHNQ-UHFFFAOYSA-N	413.359	5.046	30	20	HKED	
Cc1cccc2nc(C3CCN(c4c(C#N)cnc5c(F)ccc(F)c45)CC3)oc12	614830352	RLYOQKCCOMISBF-UHFFFAOYSA-N	404.420	5.218	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N1CC(Cc2ccc(C(F)(F)F)cc2)C1	674563397	SSAONXUIJZGUJD-UHFFFAOYSA-N	420.328	5.570	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)o2)cc1	728019468	BGKXICMIBYPEKA-UHFFFAOYSA-N	409.445	5.726	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)COCc2nc3ccccc3s2)c1	728181422	HFCOEWLRKSWLFF-UHFFFAOYSA-N	418.543	5.089	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1	731252071	QQVQSJVEMYOIJR-SANMLTNESA-N	424.500	5.022	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Sc3ccccc3)c2)c1	733845105	LXODFACOMNYQKU-FQEVSTJZSA-N	417.534	5.840	30	20	HKED	
O=C(/C=C/c1nccn1Cc1ccccc1)c1ccc(OC(F)F)cc1OC(F)F	734096933	UHJVRAUROLUKCM-CMDGGOBGSA-N	420.362	5.030	30	20	HKED	
Clc1cc(Cl)c(NN=Cc2sc(N3CCCC3)nc2Cl)nc1Cl	735971164	ZNWXZPDNSCKUPG-UHFFFAOYSA-N	411.145	5.198	30	20	HKED	
COc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)cc1OC(F)F	740011784	SWOGSSPXNYJQLY-UHFFFAOYSA-N	400.450	5.187	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)C(F)(F)F)c2)s1	740470455	WAFJLUZPEPQBKB-LJQANCHMSA-N	415.440	5.390	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CCc3cccc(F)c3)n2)cc1	744063208	ZCVVAPTXZLVBQI-FOIQADDNSA-N	408.498	5.403	30	20	HKED	
N#Cc1csc(/C=C2/CN(c3ccccc3)C/C(=C/c3cc(C#N)cs3)C2=O)c1	748441037	UXPUXKDXVQHCCI-LVTUVZGMSA-N	413.527	5.109	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)ccc1OCC(F)(F)F	750906016	PJXXXFIWMOHUAC-WMZJFQQLSA-N	416.399	5.108	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)cc1	751140845	ASXQIUYJTWXYMC-PTNGSMBKSA-N	421.456	5.559	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1C#N	752201288	YIFKQYXDMQSDDV-UHFFFAOYSA-N	414.874	5.089	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CCC(F)(F)F)cc2)cc1	752476894	FGSXAYZUAVVPBQ-QRWLVFNGSA-N	416.443	5.656	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1ccc(OC(C)C)cc1)[n+]1ccc(C(CC)CC)cc1	759054475	LTOPVZWQTNBOSW-UHFFFAOYSA-O	423.602	5.099	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C/C=C/c2ccc(C(C)C)cc2)ccc1OC	764237240	JXJYXHSLVYQSML-XYXUZSOXSA-N	406.526	5.219	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	766845929	HIGOVBFANIVFKM-CQSZACIVSA-N	407.342	5.259	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCCC(=O)c2ccc(F)cc2)cc1	777774012	PNHWHSGDPUHKEA-DEOSSOPVSA-N	414.480	5.863	30	20	HKED	
C=CC[C@@H](C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	778427175	CNJCLVXECGEICO-CQSZACIVSA-N	412.700	5.488	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	780146873	KKBVAWJPOCSNEU-INIZCTEOSA-N	411.436	5.584	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	780300946	DXLXTVNAWGMGIC-GOSISDBHSA-N	413.502	5.534	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1	782733014	QIJLPNMGFAAYEU-UHFFFAOYSA-N	419.481	5.382	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1cnc2ccccc2n1	792108203	LCDRMCSVVVAZKS-HSZRJFAPSA-N	403.485	5.400	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cnn(C(C)(C)C)c1C	794981686	OEEWNMLBEJTVOP-UHFFFAOYSA-N	416.451	5.258	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc3nc(C(F)F)sc3c2)cc1	795344122	SIGARMJNBFMIFM-CQSZACIVSA-N	414.481	5.290	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(Cl)c1	798013725	CZJJKULUPRODQH-XHDPSFHLSA-N	400.092	5.458	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1	799900564	RKQDBXFMEUVFQH-UHFFFAOYSA-N	414.534	5.128	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2cccs2)nc1C	832779276	XTTMYEIUWWYOKF-UHFFFAOYSA-N	409.536	5.004	30	20	HKED	
FC(F)(F)C(F)(c1ccc(-c2nc(Cc3cccs3)no2)cc1)C(F)(F)F	904339640	CDPOJMJWRXDFNT-UHFFFAOYSA-N	410.314	5.678	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1	915352136	FMEDYTQGQGRGDL-FTJBHMTQSA-N	424.548	5.301	30	20	HKED	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(CC#N)c1	915807814	DUIASOQYFJVEFB-UHFFFAOYSA-N	408.454	5.049	30	20	HKED	
Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c1	916205831	RTCCWEBVDGDEQG-OAQYLSRUSA-N	421.566	5.043	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(N(C)C)cc1	916272581	CJJGXRSGJXFFDU-UHFFFAOYSA-N	422.941	5.035	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	916977662	VVLIWWDMWICTLB-LJQANCHMSA-N	422.937	5.865	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997536	WANYAPGQGPQQAJ-QGZVFWFLSA-N	415.345	6.316	30	20	HKED	
Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(C)C	917738166	SXQKBSMUTAOWNG-QHCPKHFHSA-N	420.534	5.239	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1	920803990	ICZHLXPQVVIZSL-PIZKADEWSA-N	400.837	5.631	30	20	HKED	
CCC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)CC1	1791366664	AVAXGMKDTTWLRE-WGSAOQKQSA-N	407.558	5.031	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cnc(CCCCC)s3)CCC2)cc1	1791589085	GNXUEASWHXAHPO-UHFFFAOYSA-N	411.571	5.200	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1	1818454325	QYRVOELDPRCMGZ-VGOFRKELSA-N	416.525	5.081	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccccc2)CC1	1824145105	BFHNRNUEOPJSLK-OFVILXPXSA-N	422.613	5.178	30	20	HKED	
C=CCN(C(=O)c1oc2ccccc2c1COC)c1nc(-c2ccccc2)cs1	21363315	WTKSJILLQWKBLW-UHFFFAOYSA-N	404.491	5.536	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)NC2CC2)cc1	22688998	LEAQJXADNJGIST-UHFFFAOYSA-O	401.621	5.247	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1c(C)cccc1C	22694028	PAPSLXWGMKGXGN-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c2C2CC2)cc1Cl	41539699	MPIPRFFJJOHFIA-INIZCTEOSA-N	416.868	5.343	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	46675339	UIDWFUDQYVFOTL-QHCPKHFHSA-N	406.574	5.007	30	20	HKED	
C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1	47285643	CSGFHSFISJDEDW-SFHVURJKSA-N	412.493	5.012	30	20	HKED	
Cc1nn(-c2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)c(C)c1Cl	65839623	KJUBTFARDXETFM-UHFFFAOYSA-N	408.889	5.054	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(OCc3ccccn3)cc2)n1	65845147	KMQXMZQQBABXGX-UHFFFAOYSA-N	415.440	5.547	30	20	HKED	
O=C(NCC#Cc1ccccc1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	106086062	KQGFGLJMLNMSAA-UHFFFAOYSA-N	423.299	5.027	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCOc1cccc(Cl)c1	107599176	KRTXXVMCYKMYGN-UHFFFAOYSA-N	408.910	5.172	30	20	HKED	
C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1ccccc1F	195569182	SJUHUHOOUYHJFX-UHFFFAOYSA-N	411.502	5.164	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2csc(COc3ccc(C)cc3)n2)c1	236899868	IGQSFNLGVRUGRQ-HXUWFJFHSA-N	407.539	5.001	30	20	HKED	
CC(C)[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1	410214216	FWSIQZPDZBBTSQ-CYBMUJFWSA-N	400.338	5.049	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H]1CSc2ccc(Br)cc21	426864384	MVBGBXUTVRUMLS-HNNXBMFYSA-N	409.374	5.055	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(Br)cc1	431469185	BVMLORVXYSKNKY-MAODMQOUSA-N	411.343	5.241	30	20	HKED	
CSc1c(F)cccc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	435685450	YDYGVFNZTGKNOI-NRFANRHFSA-N	406.482	5.121	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	436336845	NTOWASZVIPVIEQ-UNEWFSDZSA-N	417.481	5.360	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC3(CCCCC3)C2)cc1	438181173	DVTVPSKDBRMMCI-UHFFFAOYSA-N	405.498	5.547	30	20	HKED	
C[C@@H](SCC(=O)NC1(C#N)CCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	438875139	MYQLHRSRKDDEOW-SNVBAGLBSA-N	410.383	5.081	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)c1ccccc1	440242376	NYGVDJVUERNUFL-QHCPKHFHSA-N	403.526	5.121	30	20	HKED	
N#Cc1ccsc1NC(=O)CSc1nc2c(Cl)c(Cl)cc(Cl)c2o1	440598740	DXUVXMSEAPNUDU-UHFFFAOYSA-N	418.714	5.452	30	20	HKED	
N#C[C@H](C(=O)c1cn2c(n1)CCCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	442532619	VUNZRHTWUBXOAJ-CYBMUJFWSA-N	417.321	5.140	30	20	HKED	
C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(OCc2ccccc2C#N)cc1	460232738	UJZVYSACWIAQDI-IBGZPJMESA-N	411.505	5.012	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	464476603	RQJQSNLCTHVRNB-UHFFFAOYSA-N	413.477	5.354	30	20	HKED	
C[C@H](c1ccc2ccccc2c1)N(C(=O)Nc1ncccc1OCCCC#N)C1CC1	466602036	QBRLBDBVPQHRNC-GOSISDBHSA-N	414.509	5.675	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(Cl)ccc1OC(F)F	466774527	CDRQOMBZSSNREG-UHFFFAOYSA-N	421.875	5.181	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Oc2ccccc2)ccn1)c1nc2ccccc2n1C(F)F	466983444	GQJWFORILFSROP-INIZCTEOSA-N	404.376	5.109	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Oc4ccccc4)ccn3)n2)cc1	466984168	YMGAKSUFOIHHLU-FQEVSTJZSA-N	411.486	5.796	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCC3(CCO)CCCC3)cc2Cl)cc1	467614075	GJYFEGMGPRNDSZ-UHFFFAOYSA-N	413.905	5.068	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c2ccccc21	469690231	JUGWLHBHXMLUOU-UHFFFAOYSA-N	421.504	5.113	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)[C@H]1c1cccc(F)c1	472345779	FPYLGSFMVZQFCB-QZMQVMSPSA-N	411.546	5.242	30	20	HKED	
CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H](CC#N)c1ccccc1	474688747	BTAINOSVOIJIDO-INIZCTEOSA-N	403.295	5.024	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1nc(-c2cccc(Cl)c2)no1	475558513	KDNHLPYKRVLHQI-UHFFFAOYSA-N	410.905	5.564	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](NC(C)=O)c1c(F)cccc1F	476091309	QZCOOSUXHWMJJN-FQEVSTJZSA-N	400.469	5.023	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)CC(C)(C)C)cc3)o2)c1	477778037	UPIIUIRTHSTXTH-UHFFFAOYSA-N	402.498	5.114	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	478695732	DRUZIMWRDGNMDC-YWZLYKJASA-N	406.917	5.724	30	20	HKED	
C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C#N)cc1	479664784	JATMHYJYPCWGML-LLVKDONJSA-N	407.278	5.055	30	20	HKED	
CCC(CC)N(CCOC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	480127175	UPYMOKWVBMBSOZ-OAQYLSRUSA-N	413.949	5.664	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c1	481378852	VILBCYWRWHTQQI-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccccc2Br)nnc1-c1ccccn1	488927587	DMBHEGUWDINWFD-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
C=CCC[C@H](C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccccc1	489012421	LVSMRQYNRMCEQT-IBGZPJMESA-N	415.455	5.275	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2ccccc2s1	489689132	RUXUUJYXDAEDMI-UHFFFAOYSA-N	408.552	5.254	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3coc(-c4cccc(F)c4)n3)o2)cc1	489791418	OWZKSRXSNHADFJ-UHFFFAOYSA-N	409.442	5.388	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)c1ccc(Cl)cc1	500745710	SGZYUTSLXAJTBO-UHFFFAOYSA-N	418.880	5.914	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cc12	501177216	VRDQUTJGOKSYNL-UHFFFAOYSA-N	407.524	5.006	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC1(C#N)CCCCC1	502464099	CEMRWGQDFBRYHL-UHFFFAOYSA-N	419.909	5.058	30	20	HKED	
COc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(OC)c1	502520675	VYLDWQUEMMQQBF-UHFFFAOYSA-N	417.465	5.107	30	20	HKED	
CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	503221757	CMEIIVIXOXUSIX-IERDGZPVSA-N	415.990	6.595	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1F	505514483	RJDKWPFMJVVMHS-QGZVFWFLSA-N	422.287	5.112	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)c1	505998001	YEEZRPZTEXRMSN-HSZRJFAPSA-N	423.491	5.159	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1)C1CCCCC1	507786926	LLEIWYJAOZTTCG-UHFFFAOYSA-N	421.516	5.018	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccccc2Cl)CC1	510123836	LXVJEKJNVKRLSK-MRXNPFEDSA-N	411.958	5.913	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(OC(F)F)cc2F)c1	512491585	VFNQFWGCYHRXFS-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2ccccc2[nH]1	513671743	LUCJEBAUISHAAD-MRXNPFEDSA-N	422.366	5.259	30	20	HKED	
Cc1cccc(-c2nn(Cc3ccccc3)cc2CN(CCC#N)Cc2ccccn2)c1	513740885	ACRWLGXRWKRMSO-UHFFFAOYSA-N	421.548	5.218	30	20	HKED	
CC[C@H]1C[C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1	513749902	XXFNELRNALAVMZ-UZLBHIALSA-N	412.917	5.324	30	20	HKED	
CC(C)c1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513960217	CLADCUVEFZDXJI-UHFFFAOYSA-N	401.485	6.055	30	20	HKED	
CC(C)(C)c1ccc(-c2cc(NC(=O)CSCC#N)n(-c3ccccc3)n2)cc1	514808688	KYPYUMNNTGLNBO-UHFFFAOYSA-N	404.539	5.032	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	518660359	SRTOGCFUMJXCAL-GOSISDBHSA-N	408.567	5.738	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)c1cccc(C(F)(F)F)c1	518849250	WIMNPTPLLLPIOW-MRXNPFEDSA-N	405.763	5.008	30	20	HKED	
Cc1cc(Br)ccc1N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	520324955	WGEUHSUUGYYYDA-UHFFFAOYSA-N	422.282	5.093	30	20	HKED	
Cc1c(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cccc1[N+](=O)[O-]	520625877	DVEVICHNBCWYPL-INIZCTEOSA-N	416.437	5.006	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1	520726479	RVNVRMLEDIDQGX-UHFFFAOYSA-N	415.424	5.090	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1	521209289	ZRSDVGDNUMLAIL-JOCHJYFZSA-N	421.541	5.196	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1	521725404	BLHHHROYXLJTTE-GOSISDBHSA-N	402.519	5.770	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)CC1	522445591	LXLZZOBRTJQETK-UHFFFAOYSA-N	421.516	5.009	30	20	HKED	
COc1cc(CSc2ccc(NC(C)=O)cc2)ccc1OCc1cccc(C#N)c1	522574138	NPLGJWLBQUTPOR-UHFFFAOYSA-N	418.518	5.397	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1	523136265	DLLQWGYKQUGFMU-OAQYLSRUSA-N	404.466	5.389	30	20	HKED	
C=CC[C@H](C)NC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	523949009	GUDVVFWGVZIKAV-SFHVURJKSA-N	422.960	5.358	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)SCc1ccccc1	524388981	ICUUBBDVCOKQFT-IBGZPJMESA-N	416.546	5.706	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccc(F)c(C#N)c3)cc(-c3cccs3)nc21	524459120	WTYJCQJEZFOZLF-UHFFFAOYSA-N	405.458	5.004	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1Cl	533466225	BWVJLDRJDZGAHV-KOSHJBKYSA-N	415.961	5.320	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl	538187548	JPOVBDFGUDBOJR-KSFYIVLOSA-N	415.990	5.517	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1	538784069	YCRCVEZARHFWLE-KLAILNCOSA-N	417.575	5.103	30	20	HKED	
C=C(C)[C@@H](Cc1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1)OCC	545839829	ABLXOTRZWZTHOB-MRXNPFEDSA-N	420.296	5.754	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H]3CCCCC[C@H]3c3ccc(Cl)cc3)o2)cc1	551424626	MHDXNNLTFDOKCN-LEWJYISDSA-N	406.917	5.468	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2c(F)cccc2c1	555820213	LYIFLLUXBUPJKZ-UHFFFAOYSA-N	411.436	5.385	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)o1	556625038	BOPSWCCAYAEPRS-NRFANRHFSA-N	415.493	5.053	30	20	HKED	
C[C@H](NC1CCN(CC(F)(F)F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	563628821	FKGROAXRGQZFQC-JTQLQIEISA-N	422.335	5.402	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1N[C@@H](C)c1ccccc1	564189884	ZACJROIQPDEZBA-KRWDZBQOSA-N	414.509	5.020	30	20	HKED	
CN(C(=O)c1cccc(NCc2ccc(C#N)cc2C(F)(F)F)c1)c1ccccc1	569399142	HFPALUOSMPRTLE-UHFFFAOYSA-N	409.411	5.466	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	573097437	GRPKCYQTMQKRSS-KUHUBIRLSA-N	424.957	5.686	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	579872748	XQZPJZGSHMWYGH-RPUPUWCGSA-N	421.566	5.117	30	20	HKED	
C[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1OCCc2sccc21	584305404	OYRXVSKOGUYTNB-OYHNWAKOSA-N	404.491	5.301	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N[C@@](C)(C#N)C(C)C)c2nc3ccccc3s2)c1	585720286	WOOGQRGMDFACMR-RKMMBKDRSA-N	419.550	5.290	30	20	HKED	
CCn1nc(C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	587988703	HKHLVDHBYRMACD-ZDUSSCGKSA-N	405.310	5.132	30	20	HKED	
C=CCOc1ccc(CNCc2ccnc(Oc3ccc(OC)cc3)c2)cc1Cl	589641428	MJVYSKCBRYUATH-UHFFFAOYSA-N	410.901	5.391	30	20	HKED	
Cc1cccc2sc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c(Cl)c12	602092718	OWNDPKCJHHQHMH-UHFFFAOYSA-N	409.923	6.111	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cs2)cc1	603530569	AMCWZPBNGRJWSQ-UHFFFAOYSA-N	403.551	5.218	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Nc1ccc(Br)cc1Cl	603649539	MAEQWVNHLIZEDC-UHFFFAOYSA-N	424.751	5.029	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1Cl	603759165	VOJHPHKUDHIXCB-WIYYLYMNSA-N	402.881	5.185	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2)ccc1C	609064731	MKWTWZNQRWLXAI-UHFFFAOYSA-N	412.489	5.125	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1cccnc1	609078555	YPNXFTBHGMAIKU-GOSISDBHSA-N	400.482	5.066	30	20	HKED	
CCc1ccc([C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C(C)C)cc1	609211285	DBUDLOBVAFCZKA-DEOSSOPVSA-N	405.542	5.071	30	20	HKED	
C[C@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(C#N)cc1	609261085	LYSMBYQQNZCOPS-KRWDZBQOSA-N	404.897	5.211	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)oc1C	609642673	BXOUOAIPJSMJLU-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(F)ccc2o1	609786359	FSUPPSAQUHGYJG-UHFFFAOYSA-N	408.376	5.849	30	20	HKED	
Cc1ccccc1-c1noc(CNc2ccc(Oc3ccccc3C#N)c(F)c2)n1	610288939	KDUGZVFJTDNRES-UHFFFAOYSA-N	400.413	5.460	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1Cl	611093932	OVOOEYYYQQZUBH-YVNJGZBMSA-N	421.928	5.075	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN2CCCC[C@H]2c2noc(C3CC3)n2)c1	611263525	RCVJRUIGOOWUQB-QHCPKHFHSA-N	414.509	5.125	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccccc2NCCc2ccccc2)cc1	612412078	SYUQHDRIHVFDGK-UHFFFAOYSA-N	401.535	5.085	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1	613392274	MNCZJDZDLXZVPV-QGZVFWFLSA-N	401.516	5.732	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1F)c1ccc(Br)cc1C(F)(F)F	616353988	JUEVNYYTRWOAMV-JTQLQIEISA-N	401.201	5.329	30	20	HKED	
Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642158899	XJNRDEFUDGZNDB-IMRBUKKESA-N	422.344	5.322	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc2cc(F)ccc2s1	679541362	SQQOECAIJBPRND-NSHDSACASA-N	415.421	5.327	30	20	HKED	
O=C(c1c(Cl)cc(F)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	683306175	AFIBRBPMNJITML-BQBZGAKWSA-N	412.132	5.335	30	20	HKED	
O=C(c1c(Cl)cc(F)cc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683306177	AFIBRBPMNJITML-RNFRBKRXSA-N	412.132	5.335	30	20	HKED	
COc1ccccc1/C=C/C=C\C(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1	726742393	QAFXKIVPHDOQLF-LZLQNMSLSA-N	413.473	5.165	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](Cc1ccccc1)C1CCCCC1	727235054	NGDCBNWFJZTYQB-DEOSSOPVSA-N	407.558	5.081	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)cc1)Nc1ccccc1	727974011	FQYMOBYHLQPDMD-IZZDOVSWSA-N	411.379	5.018	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1c(C)n[nH]c1C	730149173	ULNIRFHUFAJOJJ-CMDGGOBGSA-N	402.317	5.117	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc2cc(F)ccc2s1	730417871	VNYPEIQYULOVTF-IBHIWXBSSA-N	406.482	5.646	30	20	HKED	
C#CCOc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1	730981475	QSMBRKVMAOMMPT-UHFFFAOYSA-N	414.486	5.384	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2ccccc12	730994675	LMXULEGBFXTAQJ-QGZVFWFLSA-N	424.529	5.801	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCCc3cccs3)n2)cc1	731547270	LBFBWKKPJJRPBA-LJQANCHMSA-N	410.564	5.860	30	20	HKED	
C#CC[C@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccn1	733693273	XQVKIBXLFIPRDX-SFHVURJKSA-N	415.276	5.284	30	20	HKED	
N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc(-c2ccncc2)cs1	734081790	RPJNTFWYVHGSQN-CYBMUJFWSA-N	420.346	5.480	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Nc2cccc(OC)c2)c1	736562214	WMEJXJWEKADIRN-HXUWFJFHSA-N	415.493	5.050	30	20	HKED	
CC(C)CCOC1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1	740058831	CYHVLHSAOXQYCQ-UHFFFAOYSA-N	411.571	5.023	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)c3ccncc3)c2)s1	740058848	DHVPWVUOWFNXFT-DEOSSOPVSA-N	424.529	5.271	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1	744064472	XCQGHDPDGFKQJN-DHIUTWEWSA-N	423.541	5.798	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N[C@H](CCC#N)c2ccccc2)c1	748610940	WNPINGATLSLMBT-GOSISDBHSA-N	412.465	5.339	30	20	HKED	
COc1ccc(C(=O)N2CCCCCC2)cc1N=Cc1cc(Cl)cc(Cl)c1O	749105791	YEORYSRAPCAQOY-UHFFFAOYSA-N	421.324	5.474	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccc(Br)cc2)s1)c1c[nH]c2ncccc12	751537184	WUSQOQUKAXMPKD-BQYQJAHWSA-N	410.296	5.345	30	20	HKED	
CCN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H](C)c1cccc(C(F)(F)F)c1	761665957	ZICZQZZHUNRVOJ-CYBMUJFWSA-N	409.383	5.362	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1cccc(C(F)(F)F)c1	764302273	RJOMJJOFECACPK-SNVBAGLBSA-N	411.767	5.271	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)N[C@@H](C)c3ccc(OCC#N)cc3)cc2)c1	772959414	MKTMZRVMXBGHAB-SFTDATJTSA-N	400.522	5.888	30	20	HKED	
CC(C)n1ncc2cc(/C=C3\Cc4c(Br)cccc4C3=O)c(Cl)nc21	773161199	CYGOKLFKEZXTJM-IZZDOVSWSA-N	416.706	5.251	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)N(c1ccccc1)c1ncccc1Br	774154341	SOMPZXVBVCCNCW-OUKQBFOZSA-N	404.267	5.094	30	20	HKED	
CCc1cnccc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	776192547	RDQQCTSYJLMVDT-TWGQIWQCSA-N	411.914	5.335	30	20	HKED	
CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)c(Cl)c1	777114172	GJCMGFSXKYBOGP-HXUWFJFHSA-N	404.341	5.389	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)C2CC2)cc1	779139633	GUYAOYFQKFCRBP-UHFFFAOYSA-N	410.468	5.023	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1csc(-c2cccc(Br)c2)n1	779609694	RVFIVPZSNACKRS-UHFFFAOYSA-N	418.291	5.226	30	20	HKED	
C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Nc1ccccc1O[C@H](C)C#N	780668056	QOCIVIFIDZEKSF-OLZOCXBDSA-N	404.297	5.435	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)c1	780725911	KMWHRYGQXDBWHS-LEOXJPRUSA-N	421.541	5.168	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1OCc1ccc([N+](=O)[O-])cc1	782185745	SUUPQNCZGLIXCK-XBXARRHUSA-N	424.840	5.127	30	20	HKED	
C=CCCCN(C)C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1	784023904	UJNOWLFCZSJDBA-UHFFFAOYSA-N	415.559	5.119	30	20	HKED	
Cc1nn(C(F)F)c(C)c1COC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	785006166	AMGPBXPGVIJLKB-UHFFFAOYSA-N	411.408	5.110	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccncc1	788792422	YUXBRALNYDKYPQ-IFMALSPDSA-N	419.504	5.165	30	20	HKED	
COC(=O)c1csc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)c1	794723288	DEQJVYOEOBZWQJ-QPJJXVBHSA-N	419.911	5.120	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)N[C@@H](C)c1ccc2ccccc2c1	795989934	IFNBBIUNSVKEJI-AXHZCLLHSA-N	414.505	5.036	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1)c1ccncc1	797460132	NRXOQZDCQSRQCA-PMACEKPBSA-N	414.347	5.316	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2cccc(-c3ccc(Br)cc3)c2)cc1	803400397	YBCSJDDKNUBTRB-UHFFFAOYSA-N	421.294	5.200	30	20	HKED	
CC(C)c1ccc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1	805856603	YZJNANRNDOATGE-HNNXBMFYSA-N	415.276	5.824	30	20	HKED	
Cc1csc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1C#N	809002444	FEZJNZNTEQMHES-UHFFFAOYSA-N	400.459	5.262	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1	810147191	GVGAKLDXIHLQPD-AWEZNQCLSA-N	419.447	5.775	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4nc(C#N)cs4)nc(O)c23)s1	811689340	ZHRPHPZZSSEOCB-NYYWCZLTSA-N	416.940	5.499	30	20	HKED	
Cc1c(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)sc2c(Cl)cccc12	815127352	QHZOEZVVWYRNIZ-UHFFFAOYSA-N	411.958	5.308	30	20	HKED	
N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1nc(-c2ccccc2)cs1	915102131	NKLWEMPPDCDJBS-QGZVFWFLSA-N	417.559	6.009	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccc(CC#N)c1	915830851	VKVBUZDSCOMMJK-UHFFFAOYSA-N	410.882	5.173	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	917042503	FPFRUTYNTQGWFE-GOSISDBHSA-N	423.463	5.469	30	20	HKED	
C[C@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917046485	DSSVNARSFHZVCA-CMPLNLGQSA-N	407.347	5.960	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccccc2F)n(CC=C)c1=S	917485443	PPPPQYRLGDAVHB-UHFFFAOYSA-N	424.545	5.060	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ncc(Cl)cc2Cl)cs1	917539019	WCEYTPJAPGOALH-UHFFFAOYSA-N	424.288	5.115	30	20	HKED	
O=C(Cc1ccccc1)Nc1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1F	917556645	GWFPHGFJIUJBSN-UHFFFAOYSA-N	417.267	5.770	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)c3c(c2)OCCO3)sc2c1-c1ccccc1CC2	917773848	DFARYXFTRTZJSY-UHFFFAOYSA-N	422.893	5.062	30	20	HKED	
Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(NC(=O)NC(C)C)cc3)cs2)cc1	918714183	ZHCNXFWMGKFHAW-SEYXRHQNSA-N	405.523	5.545	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cnc(-c2ccccc2F)s1	920278209	ZLGRNSOLEPVHNO-UHFFFAOYSA-N	402.834	5.092	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1	1787597395	LXTUEDRAQJMRGH-HXUWFJFHSA-N	419.525	5.068	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1828821416	NFSVXUCZDGKEEM-SFTDATJTSA-N	414.615	5.058	30	20	HKED	
C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1	1831854612	IZPSDFMQNLNDLH-QHCPKHFHSA-N	416.650	5.406	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccco3)o2)nnc1-c1ccc(C(C)(C)C)cc1	5857843	ZIVTVHOYDLGKBX-UHFFFAOYSA-N	421.526	5.364	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1	9448484	VQCKNVJQGHIVBO-RNXZQOMOSA-N	407.583	5.397	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(OC)cc2)cc1	22731145	OHTATXDTONFBPA-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1	57816290	OAPPKWKKYIJNKE-DEOSSOPVSA-N	420.534	5.036	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	64455477	RJXKTUMKYILQHQ-UHFFFAOYSA-N	418.305	5.178	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1-n1cccn1	65417055	SLKDPOBSOIVALW-UHFFFAOYSA-N	423.476	5.166	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)c1	195662280	IEXUZVGOFWTVSF-GOSISDBHSA-N	416.531	5.056	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12	247650142	MMBBGSHPSJDDSG-UHFFFAOYSA-N	420.881	5.146	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1	303005430	NPDMPMNXBHJELO-UHFFFAOYSA-N	412.464	5.206	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1	303237302	YJKZFCZTDBYTRF-MTOJCTJASA-N	404.466	5.453	30	20	HKED	
Cc1cc(C)cc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1	303298035	MCMBALCBAITXQY-HNNXBMFYSA-N	423.567	5.202	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1	303354113	FVDMYXURLDCFOL-DLBZAZTESA-N	407.539	5.316	30	20	HKED	
N#CCCC[C@H](NC(=O)NCCc1nc2cc(Cl)ccc2s1)c1ccccc1	431283578	QNDNXOAUNBAEPE-KRWDZBQOSA-N	412.946	5.227	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cccc1-c1ncco1	432717300	GYOBOGWERFZGIG-UHFFFAOYSA-N	416.359	5.107	30	20	HKED	
CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)n1	433038106	IBUMHOHXSVZBJR-IBGZPJMESA-N	403.486	5.164	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	437495380	JHYFYCHDWUVJAC-JTSKRJEESA-N	424.591	5.179	30	20	HKED	
Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1	439365319	NEQSTVGEAIWYHO-HXUWFJFHSA-N	403.511	5.103	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)c2ccc(C#N)c(O)c2)nc1-c1ccccc1	442972493	LYPPTGJZULPFMW-LJQANCHMSA-N	401.466	5.020	30	20	HKED	
C[C@@H](S[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	443133854	NQUHWTODQWBQRE-VXGBXAGGSA-N	412.864	6.052	30	20	HKED	
Cc1ccc(NC(=O)CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	444739616	DWXYCZTVXPJLLO-INIZCTEOSA-N	422.344	5.375	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2coc3cc(C)c(C)cc23)c1C#N	445558926	BSCFDCZYYXMWFU-UHFFFAOYSA-N	402.479	5.081	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1	446852981	RZLKKWZSBBAMBP-QZTJIDSGSA-N	408.571	5.421	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCCc3cccc(C#N)c3)o2)cc1	466642748	RVXXLNKUNOLKQO-UHFFFAOYSA-N	407.473	5.161	30	20	HKED	
C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1cccc(CSc2ccccn2)c1	468651841	NFVROVBWQDGDHD-INIZCTEOSA-N	405.548	5.365	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c2ccccc21	469728185	IQZMSZRVUYZEFX-IBGZPJMESA-N	417.406	5.508	30	20	HKED	
Cc1ccccc1-c1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n(C)n1	470203474	QIZPKDKAKUIPNE-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2ccccc2SC[C@H](C)C#N)n1	473815084	CKUMXZHDFKTYMG-MRXNPFEDSA-N	419.554	5.063	30	20	HKED	
CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	482093776	KRWGXIRZSDWVQK-UHFFFAOYSA-N	413.477	5.085	30	20	HKED	
CN(Cc1ccccc1F)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482417673	RWTCPRMXICAODE-HNNXBMFYSA-N	408.317	5.290	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nccc2ccccc12	483193781	IJCQSELCBGNNCI-GOSISDBHSA-N	412.470	5.225	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1ccccc1Cl	483210199	LPFHOVQPDWUGNB-QGZVFWFLSA-N	400.869	5.126	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N(CC(F)(F)F)C2CCCC2)c1	485208143	MSKDHTMUGHRADQ-UHFFFAOYSA-N	402.416	5.084	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1	485474277	BYHWXAZCWPQXCB-UHFFFAOYSA-N	418.566	5.126	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)N[C@H](C)c1cc2ccccc2o1	488734956	OZTAUJMYEFQDMJ-VXGBXAGGSA-N	419.428	5.076	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccn1	488914967	RUKHVQPTXCRBKT-CYBMUJFWSA-N	424.917	5.083	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1nnc(-c2c(Cl)cccc2Cl)o1	489726841	FRBFEKOCEIXRQD-LBPRGKRZSA-N	419.337	5.907	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3csc(-c4ccccn4)n3)o2)cc1	489809174	IFBGQXITQHUILX-UHFFFAOYSA-N	408.508	5.112	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(-c2ccncc2)cc1	491195414	JAFWMUGNZMHAMF-LJQANCHMSA-N	403.485	5.778	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCOC4(CCCCC4)C3)cc2)c1	494052437	XLPUUTFARGAJAX-FQEVSTJZSA-N	405.498	5.354	30	20	HKED	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	495083451	XPXYWRWTKNYEMZ-FQEVSTJZSA-N	417.534	5.155	30	20	HKED	
COc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1Cc1ccccc1	502383341	ZVVYCKUZSNCZRA-UHFFFAOYSA-N	415.493	5.613	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C#N)CCCC2	502501134	KMIQDFDVFLKGKT-UHFFFAOYSA-N	401.513	5.161	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510171727	CEKZALCJOLXNCR-INIZCTEOSA-N	403.507	5.057	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N[C@H](C)c1ccc(F)cc1	510184656	XTCIWYMZYUEMCS-CVEARBPZSA-N	405.498	5.117	30	20	HKED	
C[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1	510777196	AJSFHAXEMPOMIK-ZDUSSCGKSA-N	415.440	5.120	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C	513662264	YULOEZVHOFVFFE-HNNXBMFYSA-N	406.898	5.149	30	20	HKED	
N#CCCCOc1cccc(/C=C(\CC(=O)O)c2nc3cc(Cl)ccc3s2)c1	517402460	ZGAVRYCJUMQWKN-XNTDXEJSSA-N	412.898	5.648	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2c1	517800688	BFWQEGZIGAEIKR-FQEVSTJZSA-N	408.486	5.337	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)cc1	518527316	WMNFYIOEHHOGLF-UHFFFAOYSA-N	416.452	5.669	30	20	HKED	
CCCC(=O)Nc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	518753063	FOFXRUHEGUAOOK-MRXNPFEDSA-N	410.543	5.141	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)cc1	519911009	DPRLNXBDDSTQLP-UHFFFAOYSA-N	405.420	5.189	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H](C)c2cccc(C(F)(F)F)c2)c1C	520168914	GZKVYUWRRBUTBB-GOSISDBHSA-N	417.475	5.262	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl	521087050	KSMMQTYEARMSMR-ROUUACIJSA-N	411.288	5.795	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1cc(F)ccc1F	521722421	DNSFCLRKAKBACQ-KBPBESRZSA-N	406.523	5.649	30	20	HKED	
Cc1ccc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2n1	524942881	RBUVCKRMQNJOLB-UHFFFAOYSA-N	411.436	5.385	30	20	HKED	
C=CCN(C(=O)CSCCOC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	525245631	TVEFMLKXTDNYSA-UHFFFAOYSA-N	417.383	5.016	30	20	HKED	
Cc1cccc(-n2c(SCc3nnc(-c4ccc(C#N)cc4)o3)nc3ccccc32)c1	525623258	OWAPKBZHFZFOLK-UHFFFAOYSA-N	423.501	5.548	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1	532661812	USQVQRRDJMCSJS-HZPDHXFCSA-N	424.595	5.180	30	20	HKED	
CN(Cc1ccccc1NC(=O)c1ccc(CC#N)cc1)C(=O)c1cc2ccccc2o1	533961728	YQTKBYVGXOBSSV-UHFFFAOYSA-N	423.472	5.023	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccc1NC(=O)c1cccs1	534716337	IWOGYRJITKFQRS-HNNXBMFYSA-N	409.536	5.379	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	537469837	GSQSCMRDNHPFGG-HUUCEWRRSA-N	400.931	5.439	30	20	HKED	
COc1ccc([C@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1F	539241482	DCFSNZCIWZSVOX-KRWDZBQOSA-N	420.484	5.144	30	20	HKED	
CCC(CC)n1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C	539546687	JTBNLUHFTLMLFG-UHFFFAOYSA-N	416.525	5.450	30	20	HKED	
CC(C)Oc1c(F)cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F	541465130	NPLDDJSHIHMYOU-UHFFFAOYSA-N	420.300	5.101	30	20	HKED	
Cc1ncoc1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	544012958	ZQJVPDSVWXFQJF-LLVKDONJSA-N	420.231	5.054	30	20	HKED	
COc1cc(CN[C@H](C)c2cc(C)sc2C)ccc1OCc1cccc(C#N)c1	544400714	LJBKBWHLTJQWOW-QGZVFWFLSA-N	406.551	5.675	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1	545297759	CKEDQMQEFLRYNA-UHFFFAOYSA-N	407.473	5.272	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3cccc(C(F)(F)F)n3)no2)c2ccccc21	547162800	NDVCNRYGTSCIRO-KTKRTIGZSA-N	409.371	5.189	30	20	HKED	
C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)c(F)c1	551574980	ZCWPRQPWSDQLOW-SPLOXXLWSA-N	406.423	5.535	30	20	HKED	
N#Cc1ccc2ncc(CN[C@H](c3cc(F)ccc3F)c3ccccc3Cl)n2c1	551799336	TUXLKCIQRKXDQS-QFIPXVFZSA-N	408.839	5.017	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1cc(C)on1	555245960	VEASADXJEFAPOR-SFHVURJKSA-N	417.513	5.080	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1	559313012	URPKWQMJSMXYPZ-INIZCTEOSA-N	405.885	5.525	30	20	HKED	
N#CCc1cccc(Br)c1OCC(=O)Nc1ccccc1-c1ccccc1	559645823	VUFIUKOPIBOSIX-UHFFFAOYSA-N	421.294	5.200	30	20	HKED	
C[C@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc(-c2cccc(C#N)c2)cc1	563646674	UDYSDNRVNPHRAI-IRXDYDNUSA-N	416.475	6.382	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C	574724793	GFUSYCHVBLKBFS-JFTIXFDTSA-N	414.553	5.092	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1Cc2ccccc2C(C)(C)C1	575165427	KTKOLFQHADRVLN-GMAHTHKFSA-N	414.553	5.007	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1Cl	577783574	ZNKSPRZFEBOMLZ-UHFFFAOYSA-N	404.695	5.109	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc(C2(c3ccc(C#N)cc3)CC2)n1	589153476	WAYOKKWYMCNJIC-HXUWFJFHSA-N	407.901	5.233	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	603639119	XNKPSQKQNHYJQW-VWLOTQADSA-N	412.489	5.123	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNc2ccc(C#N)cc2[N+](=O)[O-])cc1	603866852	JHMBXFJQRVFMNX-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1cc2ccccc2o1	609061143	KHPLWOARRJPMCC-UHFFFAOYSA-N	410.473	5.763	30	20	HKED	
CSc1ccc(Cl)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	609207018	NLAGVSDGKXJSLQ-UHFFFAOYSA-N	401.919	5.009	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc2ccccc12	609384875	NEUHJSJQLNJITH-GOSISDBHSA-N	403.551	5.699	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccccc2)no1	609388730	HGPYDYQARUKXSA-INIZCTEOSA-N	423.563	5.465	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1	609757626	NOVPCDZQELTJNN-QFIPXVFZSA-N	412.965	5.144	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-n3ccnc3)c2)cc1Cl	609784169	URYOPKRTDWMAOX-JOCHJYFZSA-N	412.880	5.433	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2coc(-c3ccccc3)n2)cc1	609969209	KVIJJSKRXVTZGF-UHFFFAOYSA-N	409.445	5.239	30	20	HKED	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	610016097	FMUMDOJYDWXNMI-MRXNPFEDSA-N	401.441	5.641	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1c(Cl)cc(C#N)cc1Cl	611567226	HHRCEFYFSNHLQM-SNVBAGLBSA-N	401.215	5.245	30	20	HKED	
Cc1cc(C#N)ccc1CN[C@H](C)c1nc(-c2ccc(Br)cc2)cs1	614406208	WFLCRRBBCWAFDX-CQSZACIVSA-N	412.356	5.604	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	615492667	SYSFEENURBAROK-UHFFFAOYSA-N	418.472	5.690	30	20	HKED	
C=CCCOCC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C	620236869	IZMVUIVZQVFYIG-VQIMIIECSA-N	408.929	5.449	30	20	HKED	
O=C(CCCc1ccc(O)c(F)c1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485094	DNBLSXNYJPLAKN-QGZVFWFLSA-N	423.328	5.293	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccc2)nc1)c1nc2cc(C(F)(F)F)ccc2s1	624443656	CIMCDBOHOPIUEL-OAHLLOKOSA-N	424.407	5.262	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1	642720184	CXUONRIJPWYJBW-VGOFRKELSA-N	422.504	5.180	30	20	HKED	
Fc1cc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1Br	674005224	AZGMNHOEWSMVKL-AOOOYVTPSA-N	408.155	5.151	30	20	HKED	
CC(C)(C)[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	674617062	VOFRSSRGZWMIBZ-MELADBBJSA-N	414.365	5.295	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc2ccc(F)cc2c1	677515248	RDWAKILOLBXCJX-VXGBXAGGSA-N	408.317	5.013	30	20	HKED	
O=C(Nc1ccc(-c2ccco2)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683811950	RAGWXWZKGGTKSF-VXGBXAGGSA-N	424.316	5.680	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1Cl	726445415	OWFXCWOJPPLOAI-UHFFFAOYSA-N	413.930	5.082	30	20	HKED	
CC(C)Oc1cccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1	726626772	LFASWEKGCTWSEL-NVMNQCDNSA-N	414.939	5.405	30	20	HKED	
C[C@H](Cc1ccco1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728121317	FLZPZQVRZWOIKW-OAHLLOKOSA-N	409.873	5.136	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	729892444	ZLFGXLAORIZRGQ-MMEMQRNESA-N	402.519	5.877	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F	731146183	FNISMTHGLCXGKX-JEZWAEDTSA-N	410.189	5.181	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(F)cc2C)cs1	731320764	YWFUIFAMTPFYTJ-POHAHGRESA-N	414.889	5.825	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	731400854	VVIWZHMSKIUKAL-HTAPYJJXSA-N	409.555	5.058	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc([C@H]2C[C@@H]2C)o1	732764994	ZTFSTJBQCKJNQN-SJCJKPOMSA-N	423.925	5.685	30	20	HKED	
C#CCN(C(=O)Nc1ccccc1Cl)[C@@H]1CCOc2ccc(Br)cc21	733333190	VXAQSOZVVKQTAK-QGZVFWFLSA-N	419.706	5.093	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1	733800298	LTETZEAPXVBXRD-IBGZPJMESA-N	414.427	5.936	30	20	HKED	
CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3C)o2)cc1	734304098	DTMFZJKPJNSGCT-XFXZXTDPSA-N	413.470	5.052	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	734344988	VAELVXOSWNUJNP-JLHYYAGUSA-N	401.853	5.116	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c2)c1	734428618	MRSHNGRPJJZPSO-UHFFFAOYSA-N	412.276	5.279	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CSc2ccccc21	735770648	WCYYNJVNKGOHEH-RTBURBONSA-N	414.486	5.016	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	742537191	IAMVZWIAQUIPAI-VGSWGCGISA-N	400.453	5.329	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1	742649858	RTQHMKUXRXEANO-MFYHJKBNSA-N	404.457	5.999	30	20	HKED	
O=C(/C=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)c1c(Cl)nc2ccccn12	743056117	POPISBJCFPCFSU-QKIRZYONSA-N	417.292	5.095	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1scnc1C	743738318	FBVVRZOXSYEGBA-OAQYLSRUSA-N	417.534	5.027	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12	744027929	CTGCTPJLXJOTEX-DVBNTOJCSA-N	422.484	5.030	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038390	SMEJNJPDHVAFOS-GAJOTYCWSA-N	419.353	5.730	30	20	HKED	
CCCCCCCC(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2	746882224	FKQALFQIKZBNIW-UHFFFAOYSA-N	402.516	5.071	30	20	HKED	
C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)c2csc(C3CC3)n2)c1	747561537	MLOYLLYDIRJUPM-UHFFFAOYSA-N	405.475	5.036	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1C#N	752294204	FWMTZIUOFKPIGH-IBGZPJMESA-N	412.877	5.149	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)o2)cc1	752375934	GRJGFHRSIMAABW-UHFFFAOYSA-N	413.458	5.397	30	20	HKED	
COc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1OC1CCCC1	752633449	MFNXIKJWJGFHBU-VXKWHMMOSA-N	419.525	5.320	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCc1ccc(OCC#N)cc1)C1CC1	754920304	UBIGDZPVVONFNW-OAHLLOKOSA-N	417.431	5.043	30	20	HKED	
N#Cc1c(F)ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1Cl	761479255	YESONAXRWPQNTC-JYRVWZFOSA-N	419.268	5.191	30	20	HKED	
CC(=NNc1ccc(-n2ccnc2)nn1)c1ccc(Oc2ccc(F)cc2)cc1Cl	761860681	NSGQLOQMNUFMBS-UHFFFAOYSA-N	422.851	5.083	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccco1	762304475	LMYRMXKTXNTVCM-SEYXRHQNSA-N	408.413	5.135	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2SCc2ccco2)c(Cl)c([N+](=O)[O-])c1	764301894	RFSAVYOAFANQIU-UHFFFAOYSA-N	413.842	5.257	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771098685	OOMCRUJUZWURAB-CNZFZVQHSA-N	424.497	5.188	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1	772984150	MSFBQXCKKLPYBV-AUSIDOKSSA-N	400.522	5.894	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccccc3F)nc2C)c1	772985449	RQAXCIAKYKGELV-YJBOKZPZSA-N	409.530	5.789	30	20	HKED	
N#Cc1cc(N[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)ccc1N1CCC(O)CC1	777117415	YYLPDPJCVDYCCJ-JOCHJYFZSA-N	416.352	5.389	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)ccc21	777290746	IPZWHDSRWOOSKS-IBGZPJMESA-N	413.477	5.022	30	20	HKED	
FC(F)(F)c1ccc(Cn2cc(C=NOc3ccccc3C(F)(F)F)cn2)cc1	777443949	OLFRAZSWDKPLSW-UHFFFAOYSA-N	413.321	5.382	30	20	HKED	
C=CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	778560040	ZIXKUHKTHBPEHP-DOTOQJQBSA-N	405.416	5.326	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2cc(C)ccc2C)ccc1OC	779101404	NAUTXZNGEAOTIU-HOFKKMOUSA-N	414.549	5.872	30	20	HKED	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	779396446	HHRSPDHXXXEAKU-LOSJGSFVSA-N	413.521	5.147	30	20	HKED	
CC[C@@H](C#N)SC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	780330046	PSVMJYMPLHOPAO-ATTDUZETSA-N	417.943	5.189	30	20	HKED	
N#CCOc1ccc(COC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1	781420439	HQJNHHLKFZSJDQ-UHFFFAOYSA-N	409.791	5.036	30	20	HKED	
N#CCC1CCN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1	782055831	NYEZCEMSDDSRGK-UHFFFAOYSA-N	408.501	5.699	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)c3c[nH]c4ccccc34)n2)cc1	786358417	HEZLNLSYVKGPSD-DNVCBOLYSA-N	415.518	5.670	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1	787044820	GOXBSOPWHBSKCF-WMZOPIPTSA-N	423.925	5.053	30	20	HKED	
CCc1c(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccncc2)oc2ccc(C)cc12	788349566	LLDQNZZNALDZDY-SREVYHEPSA-N	410.477	5.372	30	20	HKED	
C=CC[C@H](NC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccncc1	790373080	CCTBPMGNPHXEJM-KRWDZBQOSA-N	409.839	5.360	30	20	HKED	
COCC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(Cl)c(Cl)c1	790612477	ALPLOVVLHBBDHO-NRFANRHFSA-N	406.357	5.211	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(C(F)(F)F)cc1	798816418	KSJFXHXYAIDXLV-YGRLFVJLSA-N	408.832	5.948	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc1	801739995	XUVKISZVDDHFSC-OASGUWLSSA-N	423.988	5.335	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1COC(=O)NCCC	806452250	UHBVGVBYRMUFTA-LJQANCHMSA-N	401.551	5.061	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)Cc2ccccc2O1	808816783	WXMKXAWQRFNLCS-HSZRJFAPSA-N	411.505	5.547	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)OC[C@H]4CC[C@@H](C#N)CC4)cc3)o2)cc1	809088888	HIZRKOKSAHFRMT-HDICACEKSA-N	401.466	5.199	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1	809091334	FZJAVDAXKKLVKU-KDURUIRLSA-N	416.477	5.101	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cscc3Br)n2)cc1	815910848	JNGIKRJTBLZDLY-CQSZACIVSA-N	417.353	5.362	30	20	HKED	
C=CCCC[C@@H](C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1	883985803	CJIVYFXUGVNURP-WOJBJXKFSA-N	409.492	5.334	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Br	915086850	NYJSDWDFSLXPDO-IBGZPJMESA-N	421.294	5.365	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccccc2F)ccc1OCc1ccc(C(=O)OC)o1	916135668	FQJVDWKAXXYMOR-DHZHZOJOSA-N	424.424	5.079	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cc(Br)ccc2OC(F)F)c(F)c1	916141378	GPBKEVLMZSVHCA-KXFIGUGUSA-N	401.178	5.094	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917043383	KIIXSIAXGBSAEM-HNNXBMFYSA-N	422.403	5.490	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(F)c2)CCC1)c1nc2cc(C(F)(F)F)ccc2s1	917044305	QQWXCUUCYOGTMJ-OAHLLOKOSA-N	418.415	5.752	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc(Cl)c(Cl)c2)cs1	917530825	DMKNGKGTPCTIOV-UHFFFAOYSA-N	419.337	5.889	30	20	HKED	
Cc1ccc2c(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)c[nH]c2c1	917537322	GOVNAARAFQAVRG-UHFFFAOYSA-N	402.310	5.213	30	20	HKED	
COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl	920142844	WSXSYQPFVXITRE-KRWDZBQOSA-N	421.909	5.153	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(OCC(F)(F)F)cc3)c(Cl)nc21	920480568	IIADCBMFEBSFRM-YVMONPNESA-N	423.822	5.503	30	20	HKED	
Cc1cccc(CN(Cc2ccc(C#N)cc2Cl)c2ccc3nc(O)[nH]c3c2)c1	1642114021	WTLHXKNEMZLHMS-UHFFFAOYSA-N	402.885	5.309	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)CC1	1832889949	WYJLHBIVGDJRIC-PXDATVDWSA-N	422.613	5.178	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1	6907743	GSICUEPWFASRJP-INIZCTEOSA-N	406.555	5.187	30	20	HKED	
COc1ccc2c(-c3ccccc3)cc(=S)n(CN(CCC#N)CCC#N)c2c1	16834880	HZYJBBJGIGOUKG-UHFFFAOYSA-N	402.523	5.133	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(F)cc1	17704928	KLDPYNGZPUIAOH-OAHLLOKOSA-N	421.501	5.482	30	20	HKED	
C=CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1	18229192	HSQWEDMBGYAJNR-UHFFFAOYSA-N	411.508	5.273	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(OC)cc1	22731148	NKNQPHZYJDLEEC-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(NC2CCCCC2)s1	23393166	ARMUIUHWJPHREG-AWEZNQCLSA-N	422.645	5.040	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1C#N	27102259	BUUXXGLUVGEBAQ-NSHDSACASA-N	405.445	5.062	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-]	58452352	CTUSKNCGOCBDMX-UHFFFAOYSA-N	418.849	5.108	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	61068860	LGDORMWHLHUKAO-NSHDSACASA-N	423.485	5.868	30	20	HKED	
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CS[C@H](C)c1ccc(Cl)cc1	62698329	CCXDJOFHVAAJNL-MRXNPFEDSA-N	419.978	5.099	30	20	HKED	
C=CCn1c(SCc2nc(CCC(C)C)no2)nnc1-c1ccc(Cl)cc1	63429441	PGSHPVCXLZQLPJ-UHFFFAOYSA-N	403.939	5.048	30	20	HKED	
CCc1cccc(CC)c1NC(=O)CNc1ccc(Oc2ccc(C#N)cc2)cc1C	63641520	MEAQVZNCLZSMPY-UHFFFAOYSA-N	413.521	5.834	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1	72074627	CZVUKQRNGDDZEO-AWEZNQCLSA-N	423.419	5.076	30	20	HKED	
C=CCn1c(SCc2cnc(C)s2)nc2scc(-c3ccccc3)c2c1=O	195595236	NIRCIEPOUTVAOE-UHFFFAOYSA-N	411.577	5.368	30	20	HKED	
CC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)n3Cc2ccccc2)OC1(C)C	202772447	UNLITDMJERJIDM-UHFFFAOYSA-N	410.326	5.051	30	20	HKED	
C[C@H](Sc1nc2cc(Cl)ccc2o1)C(=O)Nc1sc2c(c1C#N)CCC2	218650886	GPNIIRKUUFJCED-VIFPVBQESA-N	403.916	5.022	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1	303052464	VLTVEYUBLDJNRA-UHFFFAOYSA-N	403.444	5.039	30	20	HKED	
CC[C@@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C)cs1	303837932	BBQYTQBVKMXCJP-JOCHJYFZSA-N	406.511	5.562	30	20	HKED	
C=CCc1cc(C(=O)Nc2c(F)cccc2Oc2ccccc2)cc(OC)c1OC	410034589	QRKDTPJCJUBCSA-UHFFFAOYSA-N	407.441	5.616	30	20	HKED	
C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1	429173395	NHARFXBFNNUXRD-BTYIYWSLSA-N	419.916	5.807	30	20	HKED	
COc1c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)sc(C)c1Br	430610636	LTFQCEKRKFATCZ-VIFPVBQESA-N	413.362	5.072	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)c1ccccc1	430617750	OTSJAXVDVJSGRW-SFHVURJKSA-N	417.534	5.491	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)c2ncc(C)s2)cc1	431215076	ZYQZKZMALNNICA-UHFFFAOYSA-N	422.510	5.181	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3ccc(F)cc3)cs2)c(-c2ccncc2)n1	432702907	JYAJTXDTUCOTFA-DAXSKMNVSA-N	401.470	5.292	30	20	HKED	
CC(C)n1ncc2c(C(=O)N(C)c3cc(Cl)ccc3C#N)cc(-c3ccco3)nc21	435999986	AQCRVQMFYJTYMH-UHFFFAOYSA-N	419.872	5.074	30	20	HKED	
C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1cc(Cl)ccc1F	439546652	WSDDUNMEJFHLPX-JTQLQIEISA-N	414.836	5.213	30	20	HKED	
C[C@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1	441262317	PROWUFBAZKJAEJ-UGSOOPFHSA-N	407.461	5.050	30	20	HKED	
CC[C@H](CN(CC)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	441933234	KUNHWAHEPQLNLS-RBUKOAKNSA-N	423.582	5.062	30	20	HKED	
N#Cc1ccccc1COc1cccc(-c2nc(Cc3nccc4ccccc34)no2)c1	445509038	NTJHVVSHELGTFZ-UHFFFAOYSA-N	418.456	5.326	30	20	HKED	
CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1	461303244	VXMXDXSFYYXHBI-MOPGFXCFSA-N	423.611	5.037	30	20	HKED	
COc1ccccc1[C@@H](C)SCCC(=O)Nc1sc2c(c1C#N)CCCC2	463197034	HBXBNQKQVDFLNU-CQSZACIVSA-N	400.569	5.330	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cnc(-c4ccsc4)s3)ccc21	469126375	ZPZROOCBTFCAEK-UHFFFAOYSA-N	408.552	5.067	30	20	HKED	
CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1	473768109	UCGYBGKGIMZVJQ-XXBNENTESA-N	404.558	5.177	30	20	HKED	
Cc1ccc(C)c([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	474223173	MPIYKXAXDKZERH-AVRDEDQJSA-N	407.583	5.331	30	20	HKED	
Cc1sc(CNC(=O)C[C@H](CC#N)c2ccccc2)nc1-c1ccc(Cl)cc1	475123297	VSQJDFQYXGVHAW-SFHVURJKSA-N	409.942	5.476	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](CC#N)c1ccccc1	475468990	IUAFIIWBFPRINZ-QGZVFWFLSA-N	415.306	5.190	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	475553403	OYBRRRNCRZIOIB-QFIPXVFZSA-N	405.586	5.225	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OCc2noc(CC)n2)cc1	476134597	FGOSEWHDSWMXLY-UHFFFAOYSA-N	405.498	5.315	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)no1	487298910	NVEKVLWRFHATTF-NRFANRHFSA-N	416.525	5.490	30	20	HKED	
C[C@@H](Cc1ccncc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	493030211	GUYMMBNHZGXNBE-HRAATJIYSA-N	404.901	5.143	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)Nc1ccc(F)cc1OCCC(F)(F)F	500243981	FCSBXWQQIZGTFP-UHFFFAOYSA-N	415.349	5.854	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccccc1OC(F)(F)F	500247097	VDCJNKGHYJWSFI-UHFFFAOYSA-N	411.273	5.308	30	20	HKED	
COc1cc(C#N)ccc1CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	500869612	RMMAAZWZBQYUEU-UHFFFAOYSA-N	415.371	5.043	30	20	HKED	
CCN(C(=O)c1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21	504642074	MBSRMJTUMJSELJ-KRWDZBQOSA-N	401.329	5.020	30	20	HKED	
O=C(NCC1CCC(F)(F)CC1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	504779808	ULOGTGSKQJIBTC-ZDUSSCGKSA-N	416.337	5.016	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	505325583	IYFXYBIKTQJEPW-CYBMUJFWSA-N	424.353	5.343	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2)cs1	505690991	ZGUQNLDHUVDHLH-LJQANCHMSA-N	413.955	5.392	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1	505801862	LYVQBHJALYIOON-UHFFFAOYSA-N	418.456	5.125	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CN(Cc2cn(CCC#N)nc2-c2ccccc2)C2CC2)o1	506541669	QYYUQDLSECJKDD-JPYJTQIMSA-N	400.526	5.345	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccnc2c(Cl)cccc12	506705382	GFSZSBQFBIRESK-AWEZNQCLSA-N	411.914	5.300	30	20	HKED	
CC1(c2ccc(Br)cc2)CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	508350364	TVHGDOLDHFCVGN-UHFFFAOYSA-N	423.354	5.198	30	20	HKED	
COc1ccc(SCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	511077251	AEOJEWXKZIAGLC-UHFFFAOYSA-N	420.559	5.515	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1	511860299	PTFZIKQZCXSOEY-GOSISDBHSA-N	423.541	6.406	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)Cc3ccccc3-4)n2)cc1	512504328	QHTZQKAAVIAEOA-QHCPKHFHSA-N	422.509	5.880	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)o2)cc1	512969757	KEFMVOZZPYVLED-SFHVURJKSA-N	413.458	5.158	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1F	513253127	UPQGYTNMMXXBJD-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
C[C@H](C(=O)Nc1cc(C#N)c2ccccc2n1)c1cccc(C(=O)c2ccccc2)c1	517431440	KMYPTAIOLXNEBU-KRWDZBQOSA-N	405.457	5.080	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)Cc1ccc(OC)cc1	517532086	JWGXTFDBMIVQEP-ROUUACIJSA-N	411.571	5.432	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	518755656	LRCXKRJLGNQOKW-MRXNPFEDSA-N	401.963	6.177	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	518849297	ZBFRBMYWWJZGMM-ZOBUZTSGSA-N	413.226	5.497	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCOc1cccc(Cl)c1Cl	519424948	MWNVFVLDGHONMS-CQSZACIVSA-N	423.365	6.043	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3ccc(F)cc3F)cc2)cc1	520556384	QJOOUBGIZPZGDB-UHFFFAOYSA-N	406.388	5.230	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	521733516	HWLVOEWCXSGQMY-KBPBESRZSA-N	423.460	5.276	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1	521748411	AAQDTAGWNVVOCT-ZDUSSCGKSA-N	420.365	5.835	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)c1ccc(Cl)c(Cl)c1	521887146	CTKQECBIABDHQN-HNNXBMFYSA-N	410.207	5.071	30	20	HKED	
CN(C)Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	522631893	WXKVOTDECOEEIR-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	522933311	CUWDGIBAXQNBKO-INIZCTEOSA-N	406.869	5.197	30	20	HKED	
C[S@@](=O)Cc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1Cl	523158168	PBGCPMDCFGJYPH-GDLZYMKVSA-N	423.925	5.086	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n(C(C)(C)C)n1	523883192	JAWWNDNCQSSASQ-UHFFFAOYSA-N	408.889	5.516	30	20	HKED	
CC(C)(C)n1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(-c2ccc(F)cc2F)n1	525135827	YCJXXFKHGRTVDN-UHFFFAOYSA-N	414.843	5.361	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1F	534885858	OXAAYSAUDNTZRJ-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1	534910913	FTRATYLUJBONMZ-VQTJNVASSA-N	410.517	5.502	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2ccc(C)cc2)o1)c1ccc(C(F)(F)F)cc1	537130702	WOGXXJODGLWNAB-LJQANCHMSA-N	401.432	5.861	30	20	HKED	
C=CCn1c(SCc2nnc(C3CCC3)n2C)nnc1-c1ccc(C(C)(C)C)cc1	541173704	RHRSOUNTKBGGQV-UHFFFAOYSA-N	422.602	5.117	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1	542004297	GFNNVZYVVQAJJO-RBUKOAKNSA-N	408.505	5.996	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Oc3ccncc3)n2)cc1	549484190	ZCGMYNNTKLZMBJ-FQEVSTJZSA-N	411.486	5.796	30	20	HKED	
CCOc1cc(CN[C@H](CCCC#N)c2ccccc2)cc(Br)c1OC	552311793	AJQVQQJTNVUABZ-LJQANCHMSA-N	417.347	5.381	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc1	554855063	GAPBNRNLYSOAJG-UHFFFAOYSA-N	404.392	5.023	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(F)(F)F)CC1	555243514	WOSMTFLKWBHHDK-UHFFFAOYSA-N	415.463	5.157	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)cc2)nc1	558083972	BINHFYDUISCLQA-UHFFFAOYSA-N	423.394	5.183	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C(C)C)cc1	558512342	UOOYFWNNNMIKGP-HSZRJFAPSA-N	416.481	5.273	30	20	HKED	
COc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)cc(Cl)c1OCC(C)C	560357649	JVTZOBSFUIZXLC-UHFFFAOYSA-N	404.869	5.083	30	20	HKED	
N#Cc1cc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)cnc1C(F)(F)F	560847931	QLSQSJGCQJGZBC-UHFFFAOYSA-N	413.321	5.048	30	20	HKED	
C[C@@H](N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(-c2cccc(C#N)c2)cc1	563646673	UDYSDNRVNPHRAI-IAGOWNOFSA-N	416.475	6.382	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnn(CC(F)(F)F)c1	570230825	FOFUHUQJXUNHPB-UHFFFAOYSA-N	419.291	5.115	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1	573781346	SFPVTKXOLOFEEL-HSALFYBXSA-N	412.331	5.039	30	20	HKED	
CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	583293119	UFJXWALZVPKRHW-NRFANRHFSA-N	400.482	5.231	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1Cl	588192389	JYCXMEIXWKTMQD-UHFFFAOYSA-N	421.850	5.352	30	20	HKED	
CC(C)(C(=O)Nc1cc(Br)c(F)cc1Cl)c1cc(F)cc(C#N)c1	588941107	VRKUGSWIFFUOQC-UHFFFAOYSA-N	413.649	5.169	30	20	HKED	
C=CCN(C(=O)c1ccccc1SC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603459408	XSONVTXKAWXZAZ-UHFFFAOYSA-N	411.508	5.273	30	20	HKED	
CCN(C(=O)CSCc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1	603739267	LOONBNUWRGRMES-UHFFFAOYSA-N	400.547	5.430	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1	609067578	FDPUDXZPCUWOEE-UHFFFAOYSA-N	415.223	5.264	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	609081372	ZVPGITVIVDFIBP-JTQLQIEISA-N	414.239	5.691	30	20	HKED	
N#CCn1c(C(=O)N(c2ccccc2)c2nc3ccccc3s2)cc2ccccc21	609215985	VWWITHNUCGMQOG-UHFFFAOYSA-N	408.486	5.753	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](c2ccccc2)O1	609306755	XWNDUQPOSNXAMW-MZNJEOGPSA-N	416.452	5.092	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(-c4cccc(Cl)c4)[nH]n3)cc2)nc1	609549088	GSANMKBTQBRSFD-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#CCCn1ccc(NC(=O)c2oc3ccccc3c2CSc2cccs2)n1	609789698	SQKVJPUWXZTWHE-UHFFFAOYSA-N	408.508	5.149	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2c1	610275684	KQHJJCYAJFAQRE-ZIAGYGMSSA-N	401.354	5.290	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H](C)c3cccc(C#N)c3)s2)cc1	610351313	KVLZFKVXVZMFKJ-GOEBONIOSA-N	420.538	5.120	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]1c1cccc(F)c1	611042187	IEFRFKNNLVPXND-HSZRJFAPSA-N	401.441	5.777	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(CCOCc2ccccc2)CC1	611169390	HHIZTVHUZHJPJH-SFHVURJKSA-N	409.555	5.342	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1Cc1ccccc1)c1nc2ccccc2n1C(F)F	613401850	PDRULGRVJUGXPR-LJQANCHMSA-N	401.416	5.512	30	20	HKED	
CCOc1c(Cl)cc(-c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)cc1OC	615131351	NCFMIVRMFXCIQJ-GOSISDBHSA-N	424.888	5.010	30	20	HKED	
C=CCCOCC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C	620236867	IZMVUIVZQVFYIG-LPHOPBHVSA-N	408.929	5.449	30	20	HKED	
C=CCC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1	676423476	WMENUNFGKPZCPV-XHSDSOJGSA-N	408.386	5.466	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1CCC(C)C	676757909	SXFMLOPCUXTYOC-AWEZNQCLSA-N	420.460	5.356	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1cnc2ccccc2n1	682995226	RNNZJIUZMSENIB-AWEZNQCLSA-N	424.407	5.262	30	20	HKED	
N#Cc1ccc(NC(=S)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1Cl	726447774	YONUSLRNHZKIAE-SFHVURJKSA-N	401.919	5.488	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc2cc(F)ccc2c1Cl	726755424	MKDTXVHHRZHXPA-UHFFFAOYSA-N	409.873	5.443	30	20	HKED	
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S	726802102	SUZCFNCFUSOVCY-LIFFSBLQSA-N	400.569	5.149	30	20	HKED	
CC(C)CCc1noc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1	728051690	CETMONVGRGRCNR-UHFFFAOYSA-N	410.905	5.374	30	20	HKED	
CCCCc1noc([C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1	728062991	YZWJGKWXUSRBCV-HNNXBMFYSA-N	410.905	5.689	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CCCOc2ccc(C(C)=O)cc2)c1	728181471	JTQVQZOAGOOZJP-UHFFFAOYSA-N	417.530	5.324	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C(C)(C)C)no1	730375920	OQTUZUSITWXTKR-CYBMUJFWSA-N	409.417	5.088	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2o1	730690895	ZOJTXHNISDINJG-ZHRRBRCNSA-N	420.827	5.617	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCc2c[nH]c3ccccc23)cc1	730895888	MBPKWCQIEKCLFT-XMMPIXPASA-N	408.505	5.578	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(F)(F)c1ccc(F)cc1	730995399	QRNJIBBDIRSVNA-UHFFFAOYSA-N	418.362	5.581	30	20	HKED	
Cc1cc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1-n1cncn1	742432473	WWJQOUFETQTBGQ-VQHVLOKHSA-N	416.462	5.109	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Br)c2C)cc1	744033664	UKQSFRROVXDTSO-FZKQIMNGSA-N	413.315	5.232	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2)cs1	744035074	NYXMEQRADNJIRZ-BHYGNILZSA-N	414.864	5.722	30	20	HKED	
N#C[C@@H](C(=O)CN1Cc2ccccc2C[C@H]1c1ccccc1)c1nc2ccccc2s1	744413007	VIDQEJNBKNOSAC-GMAHTHKFSA-N	423.541	5.272	30	20	HKED	
CC/C(=C\C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1)c1cccc(Cl)c1	744510635	MMTFZEWNJZSXGW-NXNYUAIASA-N	412.917	5.139	30	20	HKED	
Cc1ccccc1-c1cnc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1	744943009	CAXRVPYSYKPTIV-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)cs2)cc1	749338665	FUTRBSDASWVANZ-QGZVFWFLSA-N	424.497	5.276	30	20	HKED	
C=CCC[C@H](NCc1cc2c(C)nn(C)c2nc1Cl)c1ccc(C(F)(F)F)cc1	749836388	QUVJJYXJDYEBML-SFHVURJKSA-N	422.882	5.746	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F	750894947	CIRJYTSTVWQNBP-YVMONPNESA-N	409.360	5.139	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	760194336	BUGMILRGJBIIMJ-NHYWBVRUSA-N	417.317	5.688	30	20	HKED	
O=C(CSCC(F)(F)F)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	761755166	IKXJGUMYVXWOBH-JTQLQIEISA-N	400.262	5.148	30	20	HKED	
CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	762937226	LQAKCZWGOVBXRS-FQEVSTJZSA-N	407.876	5.798	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(NC(=O)c3ccccn3)c2)cc1	765251227	NLZPSZPFARPTDD-GOSISDBHSA-N	421.928	5.316	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1	766376505	WQJCHYUMHRHZPP-SWLSCSKDSA-N	404.885	6.095	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CSc1cccs1	767203492	DPLHLZQGQOUGBK-UHFFFAOYSA-N	423.481	5.814	30	20	HKED	
CN(CCC#N)c1ccc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1	768801568	RWFKCAZKDZICQS-UHFFFAOYSA-N	408.933	5.211	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCOc3cc(Br)ccc32)c1	772982070	CYZJHLJMIBAUED-XLIONFOSSA-N	415.331	5.134	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cc(Cl)c(N)c(Cl)c2)cc1OCCCC#N	773160579	OAKGPQITXWMWJV-GQCTYLIASA-N	405.281	5.163	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccccc2Cl)n1	774320343	OKGPOFMQJCBYKS-ZDUSSCGKSA-N	404.825	5.033	30	20	HKED	
CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	777308944	HVXXUJXEJMCSEW-FNVCAUGXSA-N	415.940	5.256	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C)c1ccncc1	777741484	QXMBUTXCWITKAQ-FCHUYYIVSA-N	407.558	5.257	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccccc3)cc2OC)ccc1OC	781414385	JGMNDYMUUXRIHF-QHCPKHFHSA-N	416.521	5.342	30	20	HKED	
Cc1cc(NC(=O)NCc2ccc(C#N)cn2)ccc1-c1ccc(Br)cc1	782078206	XWLQMLKXYPMFPD-UHFFFAOYSA-N	421.298	5.013	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1	783341461	RTMJMKYQPPEHFR-NRFANRHFSA-N	400.478	5.253	30	20	HKED	
CC(C)(C(=O)OCC1(C#N)CCC1)c1csc(-c2c(Cl)cccc2Cl)n1	802766021	VOQRIYUFIOVNRZ-UHFFFAOYSA-N	409.338	5.632	30	20	HKED	
O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)C(F)(F)c1nccs1	809326189	GVTLRAYPKMTWDG-VIFPVBQESA-N	405.266	5.101	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	914492284	VSYRYFIZJKPZHE-VOTSOKGWSA-N	412.333	5.268	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cc1	915085045	DQZUAZWKTNRYEW-QFIPXVFZSA-N	409.514	5.642	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCC#N)c2)c(C)n1-c1ccc(Br)cc1	915741278	NVXSEWUVNZGROO-UHFFFAOYSA-N	424.298	5.011	30	20	HKED	
CC(=NNc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccccc2C)cc1	916594163	WKOFLTSZTRMGOK-UHFFFAOYSA-N	407.901	5.502	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCC(C)C)c(OC)c2)cc1	916947301	HDDBWKWUEGUPNJ-UTKZUKDTSA-N	422.525	5.205	30	20	HKED	
Oc1nncc(NN=Cc2c(Cl)cccc2OCc2ccccc2Cl)c1Cl	917540828	DJHBZWYZDLXKRD-UHFFFAOYSA-N	423.687	5.167	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccc4c(c3)CCC4)n2)cc1	920140533	HZVCCUOJYXXBFZ-HXUWFJFHSA-N	415.543	5.139	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CC1(C2CC2)CC1	1360750845	QUJIBTPVUUJMOD-CVEARBPZSA-N	413.953	5.000	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C(F)(F)C(F)F)cc2)CCC1	1786604935	CEGZWZRLKXAJKA-UHFFFAOYSA-N	414.443	5.013	30	20	HKED	
Cc1cccc(-c2nnc(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)c1	4509792	LSYDAWWKYLOFFG-MOSHPQCFSA-N	405.523	5.018	30	20	HKED	
Cc1ccccc1-c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1	4509813	CCRDSLLIFKYWMX-MOSHPQCFSA-N	405.523	5.018	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(C)c(F)c1	11082882	DSWNEKXRYGFSFS-UHFFFAOYSA-O	421.561	5.652	30	20	HKED	
Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2)cs1	41501607	YHOVSRGHKZMQDZ-QGZVFWFLSA-N	405.504	5.130	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	41514698	LWNRPPXELYBGEI-IBGZPJMESA-N	418.909	5.198	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(Br)cc1Br)c1ccc(C#N)cc1	41648977	BGWZRHDWIDBMJT-VXGBXAGGSA-N	408.137	5.495	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-n3cccn3)cc2)cc1	48166106	QDGGYNZBWPHDDD-UHFFFAOYSA-N	410.502	5.289	30	20	HKED	
C[C@@H](Nc1snc(Cl)c1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1	52314195	PKEIDSHDXQPEFH-GFCCVEGCSA-N	414.893	5.162	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CS[C@H](C)c2ccc(Cl)cc2)cc1	62698550	JIWASVWSUDCLOJ-MRXNPFEDSA-N	402.947	5.480	30	20	HKED	
CC(C)[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1	97337254	KLBKKFXLSAGBQQ-RUZDIDTESA-N	410.521	5.500	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl	107806859	HHGJSNRZXQAOMG-OALUTQOASA-N	403.869	5.450	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1OC	109595856	KMJYYQHORSGMRA-VZUCSPMQSA-N	402.450	5.099	30	20	HKED	
C=CCOc1c(Br)cc(CN2CCC[C@@H]2c2csc(C)n2)cc1OC	428405036	MYGQCWKBNXVQRS-QGZVFWFLSA-N	423.376	5.125	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)cc3OC(F)F)n2)cc1	429354886	DQAMAKTZOHGVBV-HNNXBMFYSA-N	402.397	5.349	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1ccc(Cl)cc1	429762608	WJGGZTOLVLXTKA-GJZGRUSLSA-N	403.935	5.323	30	20	HKED	
C[C@@H](NCc1c(F)cc(F)c(F)c1F)c1ccc(OC(F)F)cc1OC(F)F	430739898	IUEMJJFMCIAQLQ-SSDOTTSWSA-N	415.280	5.297	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCc3sccc32)cc1	434004799	USQPZFTXYFYRLH-NRFANRHFSA-N	402.519	5.452	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	434123848	FLEVXOKXIBULHY-VQQJLRODSA-N	422.516	6.168	30	20	HKED	
CCCN(CC(C)(C)O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	435094729	DEZLMQRBWLCNDY-UHFFFAOYSA-N	401.894	5.019	30	20	HKED	
COCCCOc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437468202	BWGYSNVTPXJXKN-UHFFFAOYSA-N	420.440	5.157	30	20	HKED	
Cc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OCC(F)(F)F)c1	437820861	KJKXDCMQIPGPAY-PKOBYXMFSA-N	417.431	5.240	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1	439074787	BWZPCYATLVADEN-UHFFFAOYSA-N	424.382	5.129	30	20	HKED	
CCCCn1ccnc1-c1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1	439484269	CTVXQSBPTGUIRH-QFIPXVFZSA-N	401.514	5.517	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1	440920072	SGNNZMKILWVXFQ-UHFFFAOYSA-N	407.539	5.010	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)nc(C)n1	442643047	FRQGJZOOEGCQPN-CQSZACIVSA-N	413.264	5.078	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)c1C#N	445572470	SDATXERWIZSXCU-UHFFFAOYSA-N	422.941	5.081	30	20	HKED	
CCC(C)(C)c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1	448119884	SGMIKVMFYFNDMA-UHFFFAOYSA-N	418.541	5.128	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1	463572088	XGCMVRZHCJVMIE-UHFFFAOYSA-N	423.513	5.444	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	463768513	QAJAUKAPSSKBIS-CQSZACIVSA-N	415.118	5.133	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	464052233	JNAYDSKUBRHVBQ-BJKOFHAPSA-N	411.505	5.462	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	464479713	XKHQZOSZSWTESC-LJQANCHMSA-N	412.436	5.883	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl	464826577	ZKQOIFJWRSZOHT-MAUKXSAKSA-N	422.743	5.357	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ncccc3OCCCC#N)cc2)cs1	466622302	YCKQHDFTHOICQN-HNNXBMFYSA-N	421.526	5.079	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3cccc4ccccc34)ccc21	469957728	XLFHPGQNUHICFQ-BJKOFHAPSA-N	423.516	5.165	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCSc4ccc(F)cc43)cc2)nc1	471234854	LDUIIMDAMMBCEM-UHFFFAOYSA-N	405.454	5.027	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1	472017169	NLOIBCKNFYRIOW-HXUWFJFHSA-N	414.896	5.145	30	20	HKED	
C[C@H](c1nc2ccccc2s1)[C@@H](C)NC1CCC(Oc2ncccc2C#N)CC1	475089363	GUWPTJCRKIDBHI-HEZAVNPASA-N	406.555	5.035	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C	475561292	BBVMNMGPAKQSHC-JOCHJYFZSA-N	406.505	5.322	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)C[C@H](CC#N)c3ccccc3)c2C)c1	476499154	JLKKGOGHBGSDMD-QFIPXVFZSA-N	414.505	5.609	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(F)c(F)c1	477753617	FTVIMYGOXKAHEP-YADHBBJMSA-N	411.427	5.205	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CSCCCC(C)(C)C#N)nc(O)c23)cc1	480401053	JOOJXDLKZJWCOO-UHFFFAOYSA-N	411.596	6.244	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3cc(C)ccc3C2)cc1	483699158	ZAIXQJYZKCDQNM-UHFFFAOYSA-N	413.477	5.258	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1	487178212	SXRRQVBFXKKINU-VWLOTQADSA-N	409.489	5.302	30	20	HKED	
C[C@@H](Sc1ccccc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	487995961	XHIXFVWDPZTEBK-GOSISDBHSA-N	404.510	5.407	30	20	HKED	
C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3o2)nnc1-c1ccco1	488595904	IPFPANRFPHKGQF-UHFFFAOYSA-N	406.389	5.176	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](COC)c1ccc(Cl)cc1	489090411	JRIMJGXRKDRLSN-OAQYLSRUSA-N	400.950	6.043	30	20	HKED	
CSc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1F	499611298	TYOXXRCIFUXREB-UHFFFAOYSA-N	406.482	5.445	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc(-c2cccnc2Oc2ccccc2)no1	504266488	ISDCOKVEJURCOD-UHFFFAOYSA-N	401.422	5.164	30	20	HKED	
CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21	504627959	RIDACAUZJAYGRR-QGZVFWFLSA-N	401.329	5.020	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1	504794202	OWOZGVOMXARZOI-QHCPKHFHSA-N	415.537	5.263	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1	505036402	WQIZDVXCTLWQCR-HXUWFJFHSA-N	404.432	5.429	30	20	HKED	
N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2	505092510	JLFXBVBWJGBZKF-ZPHPHTNESA-N	413.496	5.674	30	20	HKED	
Cc1cc(Cl)c(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl	507961785	MTIFCROALNGKRR-UHFFFAOYSA-N	401.249	5.598	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	509600728	FBZPHGLKAIOOAD-UHFFFAOYSA-N	416.321	5.635	30	20	HKED	
CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	509800663	ZSGCOQJXEGKCAY-UHFFFAOYSA-N	421.850	5.209	30	20	HKED	
CCCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(C#N)cc1	510054804	KSWWSNRLWZQAPS-UHFFFAOYSA-N	409.839	5.081	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H]1CCc2ccccc2C1	512523920	OOOBCMWOFCOVRV-QFIPXVFZSA-N	411.505	5.680	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1C1CCCCC1	512719993	HKVRXRBFWZCOJX-LJQANCHMSA-N	415.522	5.182	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc2ccccc2s1	516345206	DLQKZOHSSOYUQS-FQEVSTJZSA-N	420.497	5.639	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)c1	518137263	ASSJSOVYXHMNDL-INIZCTEOSA-N	407.564	5.552	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)s2)o1	520888018	CLZFCWJXWJBYBP-ZDUSSCGKSA-N	406.294	5.321	30	20	HKED	
CC1(c2nc([C@@H]3CCC(F)(F)C3)no2)CCN(c2ccc(Cl)cc2C#N)CC1	521016848	ZXGBAWJXBBEMEZ-CYBMUJFWSA-N	406.864	5.056	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1	521211348	HCKBRAYVPMPKBO-UHFFFAOYSA-N	410.521	5.278	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1nc2ccccc2s1	521809115	VLDGDYJNKZYYNZ-HUUCEWRRSA-N	410.568	5.915	30	20	HKED	
N#Cc1c[nH]ccc1=NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	522720373	ZDWACCJERMDPBL-UHFFFAOYSA-N	419.893	5.319	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc2ccccc2n1C(F)F	523351490	OOKKSCZSCFABCH-INIZCTEOSA-N	404.376	5.109	30	20	HKED	
N#CCCn1cc(CNc2ccc(CCN3CCCCC3)cc2)c(-c2ccccc2)n1	532898127	IREVDFYSMJCTGW-UHFFFAOYSA-N	413.569	5.104	30	20	HKED	
C=C[C@@H](CC(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1	536307222	DPEIBJYZXDRRQT-YADARESESA-N	411.505	5.028	30	20	HKED	
CSc1ccc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	538341099	QFIHWUSURIUWME-UHFFFAOYSA-N	404.560	6.133	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1sc2c(c1C#N)CCC2	539788461	KYFNEZQSPLCPPT-UHFFFAOYSA-N	401.463	5.071	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(CC#N)cc2)[C@@H]2CCCC[C@@H]2C)cc1OC	540064143	GRTKIJMTKLPQEJ-PGRDOPGGSA-N	421.541	5.383	30	20	HKED	
C=CCC[C@H](NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1	540457177	WBGAWBWPCJDURY-NRFANRHFSA-N	412.580	5.011	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(-c2ncco2)c1)c1ccc(-c2cccc(C#N)c2)cc1	542029001	FHBLCAJHHHWHMQ-QGZVFWFLSA-N	408.461	5.763	30	20	HKED	
C=CCSCCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	542816925	VGYXIXTXCNEKBV-UHFFFAOYSA-N	410.370	5.019	30	20	HKED	
CCCc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1cccc(F)c1	543361292	PKVACCSWUIYISJ-UHFFFAOYSA-N	421.476	5.290	30	20	HKED	
Cc1cnc([C@@H](NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)s1	543940538	YEWSTBUIAMXQEV-ZHRRBRCNSA-N	416.550	5.502	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1	549293986	GLWJECRQFDDWHA-KUHUBIRLSA-N	402.416	5.029	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1Oc1ccncc1)c1nc2cc(Cl)ccc2s1	549415092	VNXQVYFBNBOBKH-INIZCTEOSA-N	405.866	5.627	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4cccnc4)nc3)cc2)cc1	551010085	RFSXIICMDWHMIN-UHFFFAOYSA-N	422.444	5.380	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCc1cnc2ccc(C#N)cn12	551547247	HGGAEKWGIVZCCL-CYBMUJFWSA-N	407.930	5.142	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1sccc1Br	553395681	MZXRNQJGYRRLDE-NSHDSACASA-N	410.362	5.084	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)c1cc(C#N)ccc1Cl	556946286	RLPIDGHQCWTOOL-UHFFFAOYSA-N	408.910	5.765	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nc(C3CCOCC3)cs2)cc1	557721426	FOHWYCWOSONMOD-UHFFFAOYSA-N	423.469	5.092	30	20	HKED	
N#Cc1ccc(NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1[N+](=O)[O-]	570015996	GUBPXQZTHCXIGP-UHFFFAOYSA-N	414.343	5.285	30	20	HKED	
CCc1c(NC(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1ccc(C(F)(F)F)cc1	572185886	UCCRXCHVWUNYJL-UHFFFAOYSA-N	418.806	5.231	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1OC(F)F	573023830	DLDRMJUDFVCMCH-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)c(C)c1OC	577553148	BNXZIQKJWBHFKB-QGZVFWFLSA-N	400.478	5.042	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1	589740532	XPIRFYVTVUFEMI-FQEVSTJZSA-N	404.869	5.039	30	20	HKED	
Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[nH]c2c1C(=O)CC(C)(C)C2	591206799	QIWRRACFKZILEA-UHFFFAOYSA-N	413.477	5.395	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1OCCC	592973503	GDHYMVFTGDKKDP-INIZCTEOSA-N	412.486	5.503	30	20	HKED	
CCc1cccc(C)c1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2	603818337	BLINECHPUBCEQC-UHFFFAOYSA-N	417.534	5.304	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2ccc(Br)cc2)c1C	603899649	OJZREQVBFAHTEY-UHFFFAOYSA-N	403.345	5.105	30	20	HKED	
N#Cc1ccc(Oc2ccc(N[C@@H](C(=O)NC3CC3)c3ccccc3)cc2Cl)cc1	604048058	YZANNKDTTGEBTC-HSZRJFAPSA-N	417.896	5.436	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](CC)c1ccc(F)cc1F	606150366	QCLAADJGVLHGRP-LJQANCHMSA-N	419.472	5.704	30	20	HKED	
COc1cccc(CN(CC(C)C)C(=O)c2occc2COc2cccc(C#N)c2)c1	608803870	BBFANBOMBBSLJT-UHFFFAOYSA-N	418.493	5.037	30	20	HKED	
CC(C)CN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccc(C#N)cc1	609168414	MMGDOBLHRGZSHO-UHFFFAOYSA-N	411.505	5.138	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Nc1ccccc1S[C@H](C)CC#N	609555889	KBBPETVKLSZPKY-LSDHHAIUSA-N	421.488	5.852	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)cc2)cc1	609929013	VGYPRNOIXNZWBE-FQEVSTJZSA-N	415.468	5.586	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2cc(F)ccc2Br)n(-c2ccccc2)c1C	611466979	HVGYFMZDYNBILR-UHFFFAOYSA-N	412.262	5.120	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1Cl	611871734	ANPNBWDOXSWPKO-GOSISDBHSA-N	408.910	5.659	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)nc2ccccc21	613286926	MIOOJUIVRZTLDU-SNVBAGLBSA-N	400.290	5.585	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	613290820	NBFYFRXZQUSQAU-QGZVFWFLSA-N	403.894	5.810	30	20	HKED	
FC(F)(F)c1cnc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)c1	642186741	VSNGTPCYYWLRNJ-RNFRBKRXSA-N	414.699	6.075	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c[nH]c2c1	726142676	LAOQFBXXHAXFKL-QFIPXVFZSA-N	413.908	5.966	30	20	HKED	
CCc1ccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)cc1	726801241	FITYMWGYMZPANR-HMMYKYKNSA-N	408.548	5.337	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1	726940243	AYYHBGYRWNWKBZ-UHFFFAOYSA-N	415.468	5.255	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)NCc2ccc(OCC#N)cc2)cc1	727934573	DGGBTJSWEPOTFM-UHFFFAOYSA-N	417.465	5.102	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2\CSc3ccc(Br)cc3C2=O)cc1	728697627	UJGMNTKBIPMAPK-ACLQVGRQSA-N	400.297	5.112	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1	728755695	WJNZJJXUMRVWRG-IZZNHLLZSA-N	418.500	5.648	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@H](C#N)c3ccc4ccccc4n3)c2)c1	730071758	QWZBNIAAHLHMBU-XMMPIXPASA-N	406.485	5.541	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)sc21	730420389	DBFUUZZFHNYTQU-AWEZNQCLSA-N	405.479	5.632	30	20	HKED	
C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc2ccccc2c1	731257213	SQVBHDCBYOSYSK-IBGZPJMESA-N	400.478	5.171	30	20	HKED	
N#C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(Cl)c(Cl)c1	731644433	QTSBOPTYOVMHIS-CQSZACIVSA-N	404.080	5.060	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Br)cc1F	732472546	CZPDLVDMZJOFKA-UHFFFAOYSA-N	417.731	5.201	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	732496330	RIIDMUHPJMCGEZ-QGZVFWFLSA-N	409.898	5.247	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1	733807978	XSCXYWIYTASYMK-UGKGYDQZSA-N	423.513	5.157	30	20	HKED	
C[C@H](CC#N)OC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1	735215899	FUTMWTXWGOGZAC-QGZVFWFLSA-N	400.434	5.190	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)c2)s1	740479558	CHHAODVBFVJQTP-GMAHTHKFSA-N	417.534	5.006	30	20	HKED	
C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ncc(-c2ccccc2)o1	741321097	PQXHHXNRCCYMJY-INIZCTEOSA-N	414.417	5.303	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ccccc2OCC(F)(F)F)cc1OC	742462093	LSLWHXKAYHLYBD-UHFFFAOYSA-N	417.811	5.239	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(-c2csc(C)n2)c1	744028556	JVONJSSNVVRVRT-HXUWFJFHSA-N	417.534	5.205	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1cccc(Br)c1	745987567	IFXZZYBCHMIRJI-UHFFFAOYSA-N	403.711	5.102	30	20	HKED	
O=C(/C=C\c1cc(Br)c2c(c1)OCCO2)c1ccc(-c2ccncc2)cc1	745990200	NIIFGUAXOLWQTK-BHQIHCQQSA-N	422.278	5.178	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(F)cc2OC(F)F)cc1OCCCC#N	748441297	XCHUKEQGQTXBGY-XBXARRHUSA-N	405.372	5.014	30	20	HKED	
C[C@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	750313965	YCIJOPQUXJSNJK-KDOFPFPSSA-N	402.466	5.233	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=S)Nc2c(C)cc(C)cc2Cl)cc1C#N	752766422	YMFOKBWVUCFXDU-UHFFFAOYSA-N	402.907	5.206	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(F)c1	756589578	LPXZGNPFQHAEQS-HSZRJFAPSA-N	416.383	5.099	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(C)(C)CNC(=O)OC(C)(C)C	757369141	CHOIPPLFZRHGEZ-UHFFFAOYSA-N	423.513	5.148	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cc1	757875183	OQNHQWMFUQCMEX-HSZRJFAPSA-N	405.457	5.171	30	20	HKED	
CCOc1ccc([C@H](NC(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2)cc1	761655988	NTTLUYMHZZQRBJ-HSZRJFAPSA-N	419.456	5.038	30	20	HKED	
CC(C)(CCC(=O)OC(C)(C)C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	763076402	BIUGEPPXFPAPGW-NRFANRHFSA-N	421.541	5.364	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1	765353406	KXFARIJLRXXEHR-DLBZAZTESA-N	400.906	5.186	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	767409173	NMRFNLYEWXPXNY-SFHVURJKSA-N	407.539	5.295	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc32)nc1	768402885	RYRPHZNRHRENFM-INIZCTEOSA-N	413.506	5.067	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1	774579662	SNOWNCSBANXQOX-UHFFFAOYSA-N	424.497	5.140	30	20	HKED	
N#CC1(c2ccc(COC(=O)c3cc(-c4ccncc4)nc4ccccc34)cc2)CC1	777142594	QPGAOBFPVZZUDP-UHFFFAOYSA-N	405.457	5.209	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CNc2ccc(OC(C)C)c(C#N)c2)cs1	779604793	HWGACWXIFRACBH-UHFFFAOYSA-N	420.538	5.407	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1	780148822	MTODAEUQYGEAGO-OPAMFIHVSA-N	406.482	5.589	30	20	HKED	
C=CCn1c(SCc2nc(Cl)ccc2Cl)nnc1-c1ccccc1OC	785025474	BDGPUDPSSGTOBB-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cnn(C(C)(C)C)c3C)c2)cc1	787186871	SNIOWKAHIKDWED-NTEUORMPSA-N	417.509	5.104	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1cnc2ccccc2n1	792099592	DQFXCGNHHXXEMI-QXLXQBSBSA-N	415.905	5.901	30	20	HKED	
N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1	792115157	SPVYDGUJBYPFJC-CQSZACIVSA-N	412.276	5.166	30	20	HKED	
C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	795987406	VBOQEFQUTWLRQF-XXBNENTESA-N	412.489	5.631	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)cc1Cl	797108667	WBFCCJSCBGBHIT-FPLPWBNLSA-N	403.862	5.516	30	20	HKED	
Cc1oc(C#N)cc1C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	797887737	MBQTWDXTYCKGFK-UHFFFAOYSA-N	424.865	5.099	30	20	HKED	
C#Cc1ccccc1CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C	810680844	DIYBRGHSHBGQMM-UHFFFAOYSA-N	402.881	5.063	30	20	HKED	
CCc1cc(NN=C(C)c2csc(-c3ccccc3F)n2)nc(-c2ccccn2)n1	812226408	ZZSNSFHJHGAANC-UHFFFAOYSA-N	418.501	5.200	30	20	HKED	
Sc1nnc(-c2cccc(Br)c2)n1N=Cc1csc2ccccc12	812447914	RPXCNTGIFHFAQY-UHFFFAOYSA-N	415.341	5.093	30	20	HKED	
N#Cc1sc(NC(=O)CCN2c3ccccc3Sc3ccccc32)nc1Cl	813370075	QLCPOXARKZEDTC-UHFFFAOYSA-N	412.927	5.300	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OC(F)F)cc1	915353432	NIKPMRASJPQUBD-KSFYIVLOSA-N	421.447	5.826	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)cc1	916908890	GBQGCBIYOFMXME-OCKNTNFFSA-N	420.818	5.282	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)s1)C(=O)Nc1ccccc1Oc1ccccc1	916911991	YUCSKAGKKYYJLZ-LUJNMSEFSA-N	422.893	5.555	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	917042389	BCFQSKHURDZZGU-OAHLLOKOSA-N	407.882	5.332	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(F)c4)CCC3)n2)cc1	920143941	VDDXVOUDGBHKMI-IBGZPJMESA-N	406.482	5.256	30	20	HKED	
COc1cc(C=NOCc2csc(-c3ccc(F)cc3)n2)cc(Cl)c1OC	920759729	BWRBYOLZJMADLL-UHFFFAOYSA-N	406.866	5.171	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1cccc(C)c1C	23603668	VWLBOUYADPYPGR-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)cnn1-c1cccc(Cl)c1	41540052	MTZRJSYBGRGBPW-INIZCTEOSA-N	404.857	5.280	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	44518969	GFKUMORMXOHGDV-HOCLYGCPSA-N	403.404	5.361	30	20	HKED	
COc1ccc(CNC(C)(C)c2ccc(Cl)c(Cl)c2)cc1OCCCC#N	51188629	OYKHUPZRHAMPGM-UHFFFAOYSA-N	407.341	5.709	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1	109386698	OGGRDNNYBPDIRL-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1cccc(NC(=O)C2CCC2)c1	301059809	BSVJSYYCCPCKBN-UHFFFAOYSA-N	422.435	5.059	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	303373062	TUTGNIQJMLRAKP-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@](=O)(C[C@@H]1CO1)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	407986732	DVVLSHWEHUZOIF-HAICFEQCSA-N	414.567	6.533	30	20	HKED	
COc1ccc(CN2CCn3c(cc4cc(Cl)ccc43)C2)cc1OCCCC#N	426382234	QEEQVJRFWVCCFP-UHFFFAOYSA-N	409.917	5.002	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	429165439	FODLWMRZOAIERR-UHFFFAOYSA-N	418.541	5.521	30	20	HKED	
COc1cccc2c1[C@@H](C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2	431830917	AKPGCGXYVLMPPZ-QHCPKHFHSA-N	412.489	5.009	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCC2CCCC2)CC1	435133369	QPPHYVIMLYSQNA-KRWDZBQOSA-N	401.576	5.284	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2C)c1	435739985	ICCCSMRQMXOCNG-MRXNPFEDSA-N	419.435	5.032	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3ccc(C#N)cc3C)ccc2OC(F)F)cc1	437929199	AVSQZLPMQDOMPU-UHFFFAOYSA-N	408.404	5.396	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H]1c1cc(C)no1)c1ccc(C(F)(F)F)cc1	441533784	KISGZAVZJPOJOS-MSOLQXFVSA-N	407.436	5.556	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1	441621202	NQUFTUONIWAVPD-ZHSNQQFMSA-N	413.587	5.282	30	20	HKED	
C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H]1c1ccc(Br)s1	460949071	LCUIQSHMIBTMGH-CQSZACIVSA-N	419.348	5.280	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cccc(C#N)c1	462334183	LRGMXZKLZWPNBH-LBPRGKRZSA-N	413.264	5.190	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(Oc2ccccc2C#N)c(F)c1	463222919	QBXMYMKTDMINGC-UHFFFAOYSA-N	420.831	5.065	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC1CCN(Cc2ccc(C#N)cc2)CC1	463241015	ZANIKGGAXLMORU-QFIPXVFZSA-N	401.476	5.114	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464409314	GJDAKJCZAPKTCF-CQSZACIVSA-N	405.763	5.207	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC(=O)Nc1cc(Cl)ccc1Cl	464819211	BAPWRRPJMHDIRF-YLJYHZDGSA-N	402.325	5.094	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(Cc1ccoc1)C1CCCCC1	465563195	CXROQLVECBGCJJ-UHFFFAOYSA-N	404.432	5.194	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCc2cc(C#N)ccc2F)cc1	466198200	SWCBBTQBQBHOEY-KRWDZBQOSA-N	417.484	5.276	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1	470472502	FPRGYHLCJCIXGW-KRWDZBQOSA-N	417.475	5.691	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	470510768	ZVEURJFRZUPWHB-MRXNPFEDSA-N	411.958	5.922	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1cn(C)c2cc(F)ccc12	473674276	HQBPQVDRCKZWJJ-HNNXBMFYSA-N	410.518	5.076	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	474898511	XFHXKSCAKIEKOT-HXUWFJFHSA-N	412.493	5.665	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](CC#N)c1ccccc1	475763899	UZLCUJYURYHZFV-INIZCTEOSA-N	417.456	5.737	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1	479753899	WQIUCDDKTVILHN-UHFFFAOYSA-N	420.509	5.537	30	20	HKED	
CCOc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccc(F)cc2)cc1	480397233	QABTZEAVPMRTFU-INIZCTEOSA-N	421.501	5.008	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C)c1ccc(F)c(F)c1	480573241	DHULRKQYLFPMCG-HXUWFJFHSA-N	415.484	5.697	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1	480657124	CRYXYIDZDUVEPU-UQBPGWFLSA-N	411.505	5.671	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cn(CC(C)C)nc1C(F)F	481119319	TWGFQRQXNOGCBM-UHFFFAOYSA-N	402.898	5.412	30	20	HKED	
C=C(C)[C@@H](N[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)c(F)c1	481625241	WBVICWOEQZGXPO-OPAMFIHVSA-N	424.495	5.001	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)CCSc1ccnc3cc(Cl)ccc13)CCCC2	484160490	LKZOLIFLRRGBDB-UHFFFAOYSA-N	422.941	5.155	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1cnc2ccccc2n1	484887495	UYDOGNURHSLBML-UHFFFAOYSA-N	414.852	5.224	30	20	HKED	
COc1cccc(-c2nc(COc3c(C#N)cnc4ccc(C)cc34)cs2)c1OC	488259140	FMKMRBLQEDBXQZ-UHFFFAOYSA-N	417.490	5.135	30	20	HKED	
C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SC2CCCC2)cc1	488484894	VCQHQKVVXWSSEU-KOSHJBKYSA-N	419.594	5.045	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccsc4)s3)n2)cc1	492121522	GSRYPFFQMYLFGS-OAHLLOKOSA-N	423.544	5.494	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1nc(-c2ccccc2)cs1	495437428	BMRRVVNUOYCRGI-IAGOWNOFSA-N	411.596	5.126	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)cc1	497366668	MFXJPBWHSKPQLU-UHFFFAOYSA-N	405.832	5.225	30	20	HKED	
N#Cc1ccc(-n2nccc2NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)cc1	497929601	KRJPXVRDSNKEGK-UHFFFAOYSA-N	416.387	5.067	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	505455584	NTTKNWUTCYBPCB-GFCCVEGCSA-N	408.335	5.733	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(CC(C)C)c1C1CC1	510195832	VJBMNHDIAWARCM-UHFFFAOYSA-N	415.497	5.036	30	20	HKED	
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H](c1ccc(Cl)cc1)c1cccnc1	512307008	XKDBEWSGGWMWQZ-NRFANRHFSA-N	410.304	5.512	30	20	HKED	
C=CCn1c(SCc2nc(C)c(C)o2)nc2sc(-c3ccccc3)cc2c1=O	513263199	XQLYOCFGPLHQFN-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1C1CCCCC1	515540313	NAVLOMYAXDSFHI-SFHVURJKSA-N	410.468	5.845	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OC4CCCC4)c3)n2)cc1	517503436	QSMGGWXWHOTQKB-NRFANRHFSA-N	413.502	5.493	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCCOc1ccc(Cl)cc1	517530136	OEACMFRUWORNNX-MRXNPFEDSA-N	417.962	5.715	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](c2ccccc2)c2cccc3ccccc23)c1	517711534	LFQQVCFPPKAERB-MUUNZHRXSA-N	406.529	6.402	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	519423960	LRXBYQRVCNBOSS-QZTJIDSGSA-N	417.534	5.726	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc2ccccc2[nH]1	520195728	JCMXBJOGYPRITP-MGPUTAFESA-N	407.543	5.476	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Br)cc1Cl	520475624	XJNZFBISTMHHNF-UHFFFAOYSA-N	420.738	5.094	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)CC1	521009217	CUBVZMUYNKPFQB-AREMUKBSSA-N	413.565	5.269	30	20	HKED	
Cc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c2CCC3)cc1	521797653	RSAYWYYQPVAPGH-KRWDZBQOSA-N	416.550	5.316	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(-c2ccncc2)ccc1C	523507360	SFDKQUPTXXUNMJ-UHFFFAOYSA-N	412.411	5.893	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@@H](C)Oc3ccc(C#N)cc3)cc2c1	523531740	VZWGHNKGZFHTDJ-GOSISDBHSA-N	414.461	5.202	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3csc(-c4c(F)cccc4F)n3)n2)cc1	523584349	RTBBQAOUAHKSCR-UHFFFAOYSA-N	424.457	5.336	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1	523616137	VQQWNJXDBBVHNG-UHFFFAOYSA-N	420.488	5.377	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	525503690	QSSZNUZRUQHCBL-VIFPVBQESA-N	402.800	5.489	30	20	HKED	
C=C[C@@H](CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1	533921891	XWBRVVQAVXFMGX-SFHVURJKSA-N	417.471	5.230	30	20	HKED	
CCC(CC)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C	536071070	OOPJOKYRPXLORQ-QGZVFWFLSA-N	412.946	5.820	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2ccc(F)cc2c1	536115280	KVCRNLYYEZMFGT-UHFFFAOYSA-N	411.436	5.385	30	20	HKED	
CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1c(C)nn(C)c1C	541119205	CFIFBEPPFXLPNH-WAIKUNEKSA-N	415.541	5.087	30	20	HKED	
CC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	542127695	FCTHDDNHSABSKT-INIZCTEOSA-N	415.301	5.810	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	542535247	JTEVTCJUVSCGQE-UHFFFAOYSA-N	411.483	5.010	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)N(CCC#N)c1ccccc1	543861438	QPWAAZLTPNNOKP-RTWAWAEBSA-N	422.532	5.211	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1	543968445	NPNOVCYRJUMCKC-GOSISDBHSA-N	413.403	5.058	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	548587676	LUMCPGSMGBKQRR-GOSISDBHSA-N	404.535	5.430	30	20	HKED	
C=CCC[C@@H](Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1ccco1	552277828	LDBNNNKFIJDPQF-GOSISDBHSA-N	403.320	5.398	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(-c2cccs2)nc1C	553115912	HYNIIERQRVXVIG-UHFFFAOYSA-N	400.573	5.176	30	20	HKED	
CCCc1c(NC(=O)c2nc3ccccc3cc2Cl)cnn1-c1cccc(C#N)c1	555089307	HEGZTUJFRNUHJA-UHFFFAOYSA-N	415.884	5.150	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CCC2)ccc1C	573769796	DWAABZLCJMFDDB-UHFFFAOYSA-N	413.477	5.123	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(Cl)c2OCC(F)F)c2ccccc21	579153116	YKEHMGBUSIYBHA-UHFFFAOYSA-N	417.843	5.495	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1cccc(C#N)n1	589433508	WXPSMDDGPKFQIG-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1	589739093	HUKHMZVFBJPKCB-LJQANCHMSA-N	417.509	5.498	30	20	HKED	
N#Cc1ccc(N2CCC(N[C@@H](Cc3ccccc3Cl)c3cccs3)CC2)nc1	589945757	RRJFVNSARCXDIB-NRFANRHFSA-N	422.985	5.211	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)N(CCC#N)c1ccc(F)cc1	603452353	YRXSIWABJOSLOI-ZDUSSCGKSA-N	407.308	5.016	30	20	HKED	
N#Cc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1Cl	603647306	IIRSDMJDZCJUDH-UWVGGRQHSA-N	413.749	5.243	30	20	HKED	
C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1	603737307	MVDFPAFVPJXUEN-LJQANCHMSA-N	400.547	5.128	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	603992022	NHMQYMVRWFLZQT-UHFFFAOYSA-N	410.951	6.013	30	20	HKED	
C=CCN(CC=C)C(=O)[C@H](C)SCc1csc(Cc2ccc(Cl)cc2)n1	604062556	PSGDTLIKUUHPHS-HNNXBMFYSA-N	407.004	5.210	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(-c2ccccn2)cs1	606757056	BANGEMHXXOATKN-UHFFFAOYSA-N	405.401	5.041	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1	608840881	FIKDDSFIFVRBJW-ZEQRLZLVSA-N	413.477	5.392	30	20	HKED	
CCCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OCCC	608915065	GEIIFCPYJXLYIJ-UHFFFAOYSA-N	409.530	5.578	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3occc3CSc3ccccc3)CC2)c1	609185192	QKQHQTDVJPYMEM-UHFFFAOYSA-N	418.518	5.127	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(C)cc1	609377832	OTDHEUNDAGAIDU-KRWDZBQOSA-N	404.539	5.247	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2SCCC#N)cc1	609378755	MFZAVVZJEHFZNE-UHFFFAOYSA-N	407.564	5.614	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](c2ccco2)C1	609556354	AJGNFTFXLNCQPD-FQEVSTJZSA-N	401.466	5.060	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1OC(F)F	609641995	QDXXIPWEZKUECV-MRXNPFEDSA-N	422.431	5.230	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	610240185	QGNZOSKDPLOORR-ZBEGNZNMSA-N	400.322	5.209	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1N1CCCCC1	610631212	JWZNKROLOJXKHE-IFMALSPDSA-N	406.505	5.120	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2cccc(Br)c2CO)c1	610910591	HQGBIIYWGSDLTI-UHFFFAOYSA-N	423.310	5.004	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(CSc3ccccn3)c2)c(Cl)c1	611094050	YEMSTAPGBZYJMU-UHFFFAOYSA-N	414.317	5.805	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cnccc1C	611302924	NPKCIGPLFCPXMO-SFHVURJKSA-N	400.482	5.032	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc2cc(Cl)ccc2s1	613403820	VMFYLPYTUPHTQK-GFCCVEGCSA-N	419.289	5.254	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1Cl	642602527	OZIGLHVODOIUMZ-APZTZJSISA-N	406.913	5.329	30	20	HKED	
O=C(Nc1cc(F)ccc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675374830	VPWMOPMVZLUHDV-OCAPTIKFSA-N	424.263	5.022	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1NC(C)=O	726428275	JESOVBPSGNEKQM-CSKARUKUSA-N	422.462	5.186	30	20	HKED	
COc1ccccc1/C(C)=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	727628695	WPBSMGUOIBNNGD-GPZRYRNASA-N	408.910	5.752	30	20	HKED	
O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1)c1ccc(O)c(F)c1	728439183	WVJDPIRLIAISGN-OZDSWYPASA-N	406.384	5.168	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C	728668589	ZIXPAECQKYVGFX-GOSISDBHSA-N	414.461	5.151	30	20	HKED	
N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2cc(F)ccc2s1	730420746	FJBFKXBAVNLEEE-CQSZACIVSA-N	409.511	5.634	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)CC2CCC(c3ccccc3)CC2)cc1Cl	731136065	MKNMUNNRENVQDW-NLPFYKDJSA-N	424.928	5.360	30	20	HKED	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCCOc1cccc(C#N)c1	731968487	BXRAABCSXNCYCI-UHFFFAOYSA-N	404.432	5.175	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)sc2cccc(F)c12	734081699	QPUHRHZGXTYDHP-CYBMUJFWSA-N	423.494	5.195	30	20	HKED	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	734402895	RPMJMQUYWLDJNP-UHFFFAOYSA-N	401.535	5.014	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(F)c1	734965680	NDQOWCUDBPQNCQ-DOMZBBRYSA-N	400.425	5.597	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(Cl)c2)[n+]2cccc(C)c2)c1	736270522	XIWOOHKSGAJESW-UHFFFAOYSA-O	423.920	5.380	30	20	HKED	
COc1ccc(NC(=S)NCc2cccc(-c3ccc(C#N)s3)c2)cc1Cl	739438561	ZFZQJGZCMARJLF-UHFFFAOYSA-N	413.955	5.435	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc(F)ccc1F	741058627	GUFJWLCSTKYBEI-FYYLOGMGSA-N	405.448	5.893	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(-c2ccccc2OC)cc1	741468117	CEMHMLUDFUJSCB-YPKPFQOOSA-N	404.462	5.284	30	20	HKED	
CC(=NOCc1ncc(-c2ccccc2Br)o1)c1cc2ccccc2o1	742352706	WKDJMMXFUGHJBF-UHFFFAOYSA-N	411.255	5.791	30	20	HKED	
CCOc1c(OC)cc(/C=C2\C(=O)c3cccc(Br)c3[C@H]2C)cc1OC	742435473	UICPWVVEXRGWME-ZENNRRHLSA-N	417.299	5.248	30	20	HKED	
COc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2n1	743092687	AOOYBUFFUQJOMX-HSZRJFAPSA-N	422.488	5.221	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)c1	745820108	HJRMOUDKAHICED-JOCHJYFZSA-N	421.541	5.118	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	748833468	CGXMJQIGYAKBRA-OTWHNJEPSA-N	416.502	5.300	30	20	HKED	
CCOc1cccc(C=Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1O	749450037	BOKPCSNASGOBFC-UHFFFAOYSA-N	414.505	5.063	30	20	HKED	
CC1CCN(c2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)CC1	752626395	SUCVCAGYNIFIOJ-BJKOFHAPSA-N	402.542	5.227	30	20	HKED	
C#CC[C@H](NC(=O)N(Cc1cccs1)Cc1ccccc1OC)c1ccccc1	757771556	GPHJZCCOWNPCNK-QFIPXVFZSA-N	404.535	5.233	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1)c1ccccc1	757887128	SEFHVPVGBMLEFR-NRFANRHFSA-N	419.525	5.100	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cc(F)c(Cl)cc1Cl	761664021	GQZMDFDGHWUPDV-VIFPVBQESA-N	400.212	5.057	30	20	HKED	
C[C@H](N[C@H](C)c1cc(Br)ncc1F)c1ccc(-c2cccc(C#N)c2)cc1	762777677	HHFBNPDNADEWFQ-LSDHHAIUSA-N	424.317	5.934	30	20	HKED	
C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	762972055	FONJTIURLZUPSC-XHDPSFHLSA-N	421.469	5.177	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	765331189	PGKGZJFTJWEPRZ-RBUKOAKNSA-N	400.950	5.066	30	20	HKED	
C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nc(-c2cccc(F)c2)no1	769546239	JLTOXKSYIIVTTB-OAHLLOKOSA-N	418.428	5.052	30	20	HKED	
CC(C)C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)cc1	775460492	KXSSSCZIPIPIDD-CTNGQTDRSA-N	418.928	5.254	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	780169598	MNZDOROHPVUTNB-KRWDZBQOSA-N	413.481	5.711	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	780671103	PALMAYQKANGKLJ-VBKZILBWSA-N	411.914	5.603	30	20	HKED	
Fc1cccc([C@@H](NC(=S)Nc2ccc(OC(F)F)cc2)C(F)(F)F)c1F	783758410	XPUTYHQNJKPWDU-CYBMUJFWSA-N	412.330	5.156	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)[C@@H]1OCCc2sccc21	796756468	MIHISJPTEHCGHJ-LNSDYSHSSA-N	402.928	5.138	30	20	HKED	
CC(=NOCCCC1(C#N)CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1	799175497	AUVGGUDCXLKDPB-UHFFFAOYSA-N	410.489	5.246	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CC(C)(C)CC(=O)c1ccccc1	799600454	OIWXOHXHUWMBAO-LJQANCHMSA-N	400.478	5.057	30	20	HKED	
CC(C)(CCC#N)CN[C@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1	806178293	RKWAYBRNNVJMAT-OAQYLSRUSA-N	417.569	5.433	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1	809889076	QHYHIMDADZNJJY-CWTRNNRKSA-N	404.297	5.557	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4cccc(Cl)c34)n2)cc1	815921963	YPRIAFBAMOAKGV-INIZCTEOSA-N	421.909	5.372	30	20	HKED	
CCCCCCCCCC(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1	900086236	WRZYCDAXEDNKMQ-QGZVFWFLSA-N	424.511	5.595	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccc(Cl)cc2)cc1	915351433	BRWDFMPIUWUUSI-QFIPXVFZSA-N	405.885	5.196	30	20	HKED	
CCC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	916381461	IHSULIYAKJVREX-HSZRJFAPSA-N	412.493	5.012	30	20	HKED	
CCCc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1CC	916927884	PVVKHDJBSWJJAJ-ZDUSSCGKSA-N	409.338	5.531	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917042041	ANVKDJOGYANOFI-HNNXBMFYSA-N	420.481	5.982	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917042970	JPEKQIWNDJCOTK-NMNMAYGDSA-N	406.816	5.858	30	20	HKED	
N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1	917046404	JPIIXURFNOAJPE-SFHVURJKSA-N	402.906	5.958	30	20	HKED	
COc1cc([C@H](C)NC(=S)Nc2ccccc2C#N)ccc1OCc1ccccc1	917585451	FGGBKBVNUBGYFW-KRWDZBQOSA-N	417.534	5.193	30	20	HKED	
N#C[C@@H](C(=O)Cc1cc2ccccc2o1)C(=O)Nc1ccccc1Oc1ccccc1	920108578	HHFFNARDLGZUOQ-FQEVSTJZSA-N	410.429	5.115	30	20	HKED	
C[C@H](NN=Cc1cc(Br)ccc1OCc1ccccn1)c1ccccc1	920383412	VOKXTMXDJQIKJZ-INIZCTEOSA-N	410.315	5.108	30	20	HKED	
CC(C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920803820	DOTIRDHDARLPLF-HNNXBMFYSA-N	412.461	5.467	30	20	HKED	
N#CC(CCN1CCc2c(ncn2-c2ccccc2)C1)(c1ccccc1)c1ccccc1	929069051	HVNQFIFZUAVBAK-UHFFFAOYSA-N	418.544	5.130	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@]3(F)Cl)CCC2)cc1	1785842086	JOZWRIFXWWJGPC-VGSWGCGISA-N	406.929	5.037	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccccn3)cc2)CCC1	1791941711	QBXWIGCCRZPHOM-SIKLNZKXSA-N	417.553	5.088	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3CCC(F)(F)CC3)C2)CC1	1805757359	ZGBMNAHGHKGDHV-UHFFFAOYSA-N	424.576	5.036	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1	1826283402	GLYHJDZVSZPXNO-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)CC1	1832893383	AGMSZTIAKJPJLK-FTBPSBKWSA-N	422.613	5.178	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCc1ccc(C#N)cc1	5585475	XBLYFNWIHPLILQ-UHFFFAOYSA-N	412.445	5.252	30	20	HKED	
C=CCN(C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1nc(-c2ccccc2)cs1	14723514	MLSUQKBPHVEPFG-CQSZACIVSA-N	421.547	5.076	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccccc2Cl)o1	21419278	WVHANMNKBFGCEW-UHFFFAOYSA-N	417.248	5.067	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1NC(=O)c1ccccc1	56213546	GDBYKWGFHNLCCL-UHFFFAOYSA-N	413.477	5.159	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCOC2CCCC2)cc1Cl	61771548	YXGQKEKRLAYGEH-OAQYLSRUSA-N	411.933	5.466	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)cc1OC	63874729	UFKVMCJVLDTXJK-VMPITWQZSA-N	406.450	5.479	30	20	HKED	
Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2c(C)cccc12	65072959	HXSLFHNEPPPDNA-UHFFFAOYSA-N	410.473	5.947	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1	65870060	MNNODTCJPRVFQJ-UHFFFAOYSA-N	416.546	5.385	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1	97169177	DYGFOIZDUAHKJR-UHFFFAOYSA-N	418.522	5.315	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(C)c1	111198239	FCKOLFLGOWROTJ-IBGZPJMESA-N	423.582	5.551	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(I)cc1	195656666	NELRVWRLRFUKSU-CQSZACIVSA-N	406.267	5.147	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1	303390431	YBCVCQWABPDXMA-KBPBESRZSA-N	422.381	5.677	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCOc4c(Cl)cccc43)c2)c1	303583992	FOOAEFOZSCGEGA-QFIPXVFZSA-N	418.880	5.044	30	20	HKED	
N#Cc1c(F)ccc(CNc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1Cl	428876923	QHHXAJVUVPUTPA-UHFFFAOYSA-N	411.839	5.032	30	20	HKED	
C=CCC(C)(C)C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12	431682897	BHPJBMUGYBGSLG-FQEVSTJZSA-N	420.553	5.426	30	20	HKED	
C=CCC(C)(C)CNC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1	432590540	ZXTSGLAQTUXRLM-KRWDZBQOSA-N	413.587	5.310	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(NC(=O)N[C@H](CCCC#N)c2ccccc2)s1	433182087	ZLWWQQTVIPBOQT-WOJBJXKFSA-N	419.554	5.637	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1	436365464	PIXNAVJQJSJTLH-KSFYIVLOSA-N	414.477	5.038	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1	438040814	KJBJTTTWSUIEJC-CVEARBPZSA-N	413.974	6.492	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1	447380373	DNYMGPQYOVJOMS-FQEVSTJZSA-N	403.551	5.264	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	448046344	XWZGCNICFBQCGQ-HOTGVXAUSA-N	401.963	5.610	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)c1cccs1	460552822	AZHXBYALBIURTO-LMNJBCLMSA-N	408.571	5.358	30	20	HKED	
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1	460582696	JGOBVBNEAKKJOK-SFHVURJKSA-N	421.595	5.458	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1	461181233	OUABYSHXMQIYPV-UHFFFAOYSA-N	420.472	5.046	30	20	HKED	
C[C@@H](C(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc(C#N)c1	461921081	TWURDJZZUAFWRU-GOSISDBHSA-N	418.516	5.062	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3cc(F)ccc3F)cc2Cl)c1	463481297	LSMMBLVUDFWPPR-UHFFFAOYSA-N	412.823	5.250	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)c1	465517905	CGGZDOBQOOWNOF-OAQYLSRUSA-N	411.839	5.079	30	20	HKED	
C[C@@H]1C[C@H]1[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1	466124819	FIOAOVSLQLAYKZ-ZGNKEGEESA-N	423.944	5.162	30	20	HKED	
CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](CC#N)c1ccccc1	474688748	BTAINOSVOIJIDO-MRXNPFEDSA-N	403.295	5.024	30	20	HKED	
CC(C)n1c([C@H]2CCCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C2)nc2ccccc21	475911987	PJFOJGQRSRHSGA-FQEVSTJZSA-N	414.553	5.438	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(OC)c(Br)c(OC)c1	476079010	IXYSRPZDLBDZPW-UHFFFAOYSA-N	418.331	5.571	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1	482984728	LVRFROMOAXZSNP-JOCHJYFZSA-N	410.901	5.349	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1SCc1ccc(F)cc1C#N	483075387	VIQCVQVELJSBPI-UHFFFAOYSA-N	410.518	5.206	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1	485494056	SDSJWNZVGVHDQE-UHFFFAOYSA-N	402.519	5.147	30	20	HKED	
N#C[C@H](CCc1ccccc1)C(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1	493999802	MGJLCIYYDNAELK-KRWDZBQOSA-N	421.953	5.121	30	20	HKED	
CSc1cccc([C@@H](NC(=O)NCC(C)(C)CCC#N)c2cc(F)ccc2F)c1	498272084	MBFRMLQSUZWDFD-HXUWFJFHSA-N	417.525	5.405	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccccc3OC(F)F)n2)c1	501163250	LYOPECCVHNIWFN-HOTGVXAUSA-N	411.433	5.025	30	20	HKED	
Cc1cccc(OCCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	501456598	ZSTATUNVWBZJRK-UHFFFAOYSA-N	400.478	5.048	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(F)cc3Cl)c2)cc1	501470983	BGUIISXPZCXFCH-UHFFFAOYSA-N	424.859	5.142	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)c1	502651884	NSELGMPBBGNULL-UHFFFAOYSA-N	417.465	5.328	30	20	HKED	
N#CC(CCN1CCC[C@@H](c2ncc3n2CCCC3)C1)(c1ccccc1)c1ccccc1	503397231	ZSKGGEZORRDDDL-HSZRJFAPSA-N	424.592	5.299	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1Cl	504290997	XBUPVYVQYGNUFU-PZJWPPBQSA-N	405.885	5.788	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)nc12	506001810	KKMMUGXDEGZYIW-LJQANCHMSA-N	421.435	5.111	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(F)c(C#N)c3)s2)cc1	506778033	MWOMKHRDDVFWSW-ZDUSSCGKSA-N	410.474	5.021	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(Br)s1	510475274	CEDJGKWBUYSWRJ-UHFFFAOYSA-N	403.326	5.292	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccco2)cc1	510518213	CTJQOXBUKPQOTG-HSZRJFAPSA-N	415.493	5.005	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)oc2c1ccc1ccccc12	512946309	AMSNSNQBEAMXPE-LJQANCHMSA-N	409.470	5.903	30	20	HKED	
COc1c(Cl)cccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513871464	RDIBYDXVXMBFGI-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
O=C(Nc1cccc(Cl)c1OCC(F)F)c1c(F)cc(C(F)(F)F)cc1F	515261522	BAAGRZXQBBJBQR-UHFFFAOYSA-N	415.692	5.533	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	517345279	FUIJTUWEGAYQIA-ZEQRLZLVSA-N	412.489	5.082	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2	517455582	TZXXYCISQDVVOL-CYBMUJFWSA-N	402.903	5.005	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(-c2ccccc2OCC)c1	519014033	RGSLNFPWQKSPNW-UHFFFAOYSA-N	405.494	5.056	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1	519508180	UGRKWGCILUSYBX-UHFFFAOYSA-N	419.488	5.072	30	20	HKED	
CCN(CC)Cc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	520195086	SOMBBXJNQJSFHT-GOSISDBHSA-N	410.587	5.244	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)c1	520324315	ODNBTLLLDWOQOZ-UHFFFAOYSA-N	423.900	5.261	30	20	HKED	
Cc1cccc2sc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)nc12	521871043	UYMHUYWACQTGNB-UHFFFAOYSA-N	415.543	6.021	30	20	HKED	
C=CCOc1ccccc1CNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	521987119	IIXXHTFBURFWFH-MOPGFXCFSA-N	404.535	5.227	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	523183614	CZZTXFRNXLAFCC-UHFFFAOYSA-N	415.440	5.195	30	20	HKED	
C=CC[C@@H](C)NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	523983574	MMPASXGKYJNEAS-OAHLLOKOSA-N	411.889	5.660	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3Br)cc2)c1	524388596	NKRFWVNTGZATRV-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c(OC(C)(C)C)c1	531248218	FVOWWKULCQHACX-UHFFFAOYSA-N	402.542	5.239	30	20	HKED	
N#Cc1cccc(C2(c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)CC2)c1	532932917	FRFYIQOXEWZLBQ-UHFFFAOYSA-N	417.472	5.086	30	20	HKED	
N#CCC[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1	533038391	NGBGFDVYZDEGKQ-LJQANCHMSA-N	401.457	5.964	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C(F)F	533943806	ZUWPCZYWNYQNTK-UHFFFAOYSA-N	410.424	5.393	30	20	HKED	
C=C[C@@H](CC(=O)N(CC)[C@@H](c1cccnc1)c1ccc(F)cc1F)c1ccccc1	536244306	OLXQTVXEUXVXHK-BVZFJXPGSA-N	406.476	5.658	30	20	HKED	
N#CC1(CCCSc2nc(-c3ccccc3)c(-c3ccccc3)o2)CCOCC1	537307965	PAHKVJYEGJIQCF-UHFFFAOYSA-N	404.535	6.201	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(F)cc2F)CCC1	538534698	BUSMLYRSRQVCPJ-UHFFFAOYSA-N	419.431	5.393	30	20	HKED	
C[C@H](N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1cccc(C#N)c1	539499963	NQKDBPGWOQNJBO-ROUUACIJSA-N	401.485	5.290	30	20	HKED	
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(-c2cccc(C#N)c2)cc1	543944813	VWWARHCVRJJULX-MRXNPFEDSA-N	415.459	5.660	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSCc1ccccc1	564173031	CKAGZVHHORCZNK-QHCPKHFHSA-N	424.591	5.631	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N(CCC#N)c1ccc(F)cc1	571856068	MICCQYNZEKEIPI-AWEZNQCLSA-N	413.905	5.455	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	574124434	VWFBTSNQDQOTIN-AWEZNQCLSA-N	408.408	5.249	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Sc1ccccc1	581458085	ATBKFBZQVFGLRH-INIZCTEOSA-N	404.495	5.048	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3csc4ccccc34)s2)cc1	585699300	HRVSDBOIYHAXHF-UHFFFAOYSA-N	408.533	5.169	30	20	HKED	
COc1ccc([C@H](NC(=O)CCCCCC#N)c2ccccc2Cl)c(OC)c1	588625129	SVFCVSBANVFIPP-JOCHJYFZSA-N	400.906	5.037	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2cc3c(Cl)cccc3s2)c(C#N)c1C	603444357	NHLPVSWQDQFITB-UHFFFAOYSA-N	404.900	5.225	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c3c(cccc13)CC2	608876222	GALXIDJRAKRXFN-UHFFFAOYSA-N	405.457	5.558	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12	609070556	BREGHWVOEOJJHV-SFHVURJKSA-N	407.945	5.284	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl	609164362	LVYGCNHIHXFAGR-HXUWFJFHSA-N	415.880	5.132	30	20	HKED	
N#Cc1ccc(CNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c(F)c1	609229035	OFPIFJSUNLQYLP-UHFFFAOYSA-N	412.795	5.514	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1	609388089	ZYUBFJFLNJOFIM-QWHCGFSZSA-N	408.354	5.684	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)n1	609427490	DQLJALODXCEXHY-SFHVURJKSA-N	404.539	5.195	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	609669341	MGAVFIGBFBFCPI-MYJAWHEDSA-N	405.264	5.293	30	20	HKED	
COc1cc(CN(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1SC	609987830	HMGAVTKRJLIDCG-UHFFFAOYSA-N	417.534	5.305	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1ccncc1	610044376	MYBYVWFGKSTLLP-KRWDZBQOSA-N	403.507	5.165	30	20	HKED	
C=CCCCNc1cc(NC(=O)c2ccccc2I)ccc1F	610132144	LYEHNHQWXGCDMM-UHFFFAOYSA-N	424.257	5.061	30	20	HKED	
COc1ccc([C@@H](C)CCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	610185713	PHIPYUFIBSQRBJ-SFHVURJKSA-N	416.546	5.642	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1NC(=O)CC(C)C	610220774	OOONLQUUSCPEPR-UHFFFAOYSA-N	409.555	5.434	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc2c(cnn2C(F)F)c1	610962862	AWDOTZNZWADYOD-LBPRGKRZSA-N	401.442	5.327	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCc2ccc(C#N)cc21	611139898	KKBACGQTPYPBHB-UHFFFAOYSA-N	413.424	5.212	30	20	HKED	
N#CCc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1	611142554	DCCWBUUXADHTHU-UHFFFAOYSA-N	423.394	5.276	30	20	HKED	
CCOc1cc(F)ccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	612806385	XSSBCDNPTXYBQU-UWVGGRQHSA-N	416.337	5.255	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	613346425	IYUZPUBGVXQPQS-HNNXBMFYSA-N	403.290	5.616	30	20	HKED	
C=CCn1c(Sc2nc(C)nc3scc(CC(C)C)c23)nnc1-c1cccnc1	613394035	PSXNUKMGBCZWGP-UHFFFAOYSA-N	422.583	5.189	30	20	HKED	
CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@@H](C)c1cccc(C#N)c1	613992534	KPOCHBWOPBHCPK-HNAYVOBHSA-N	414.347	5.044	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2ccccc2C)CCOCC1	619403982	WAMVPHOKNUWURH-UHFFFAOYSA-N	418.990	5.156	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2ccccc2)C(C)C)nnc1-c1ccc(OC)cc1	643094004	NTZHVTAFNHZQJS-NRFANRHFSA-N	407.539	5.139	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccccc1OC(F)F	650946904	QNHHFYBSMCAFNB-UHFFFAOYSA-N	421.444	5.076	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1	678603746	GLYMEGPQTATDLU-FOIQADDNSA-N	401.436	5.039	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1cnc2ccccc2n1	682995164	PLEDCCHCVZSPAK-FQEVSTJZSA-N	413.864	5.352	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3cc(O)ccc3C2=O)cs1	726427608	QQDSVZBHFWYRMX-BOPFTXTBSA-N	404.491	5.054	30	20	HKED	
CCc1cccc2c(C(=O)[C@H](NCc3ccc(OCC#N)cc3)c3ccccc3)c[nH]c12	727839138	WNQOPPZQCPJHSY-AREMUKBSSA-N	423.516	5.346	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	728029428	SQYDFEICEAKWMC-UHFFFAOYSA-N	419.868	5.023	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1	728480591	DCVWJMMHKGDUDK-UHFFFAOYSA-N	423.519	5.159	30	20	HKED	
N#CCCCCNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12	728850075	LFHUCWIQTRXCOZ-UHFFFAOYSA-N	408.299	5.088	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(C4SCCS4)cc3)c2)cc1	729375529	JPAJLGAFYQPCGY-UHFFFAOYSA-N	418.543	6.081	30	20	HKED	
N#CCn1c(C(=O)Oc2ccccc2-c2nc3ccccc3s2)cc2ccccc21	729649848	GBSRTGRJYPKHQR-UHFFFAOYSA-N	409.470	5.661	30	20	HKED	
COc1ccc(N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1F	731030636	SXRBCRDCEFFFKC-MRXNPFEDSA-N	415.534	5.082	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)n2)cc1	731289352	XAFJXYGGMQYFIF-YTFSRNRJSA-N	424.525	5.952	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCc2ccccc2C1)c1nc2cc(C(F)(F)F)ccc2s1	732596002	GSNDHTGTVWEBDR-DYVFJYSZSA-N	414.452	5.687	30	20	HKED	
Cc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)ccc1Oc1cccnc1	732713476	AETNPIRPZRCZOM-CLFYSBASSA-N	400.434	5.035	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)c1ccncc1	734234570	QUVQLWHRRVBTCL-JOCHJYFZSA-N	410.477	5.154	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F)c1ccncc1	734661702	PWFLLDJSLBRGPM-OALUTQOASA-N	405.464	5.599	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	739180663	NCCHRNRIWJWNAN-IAQYHMDHSA-N	406.404	5.509	30	20	HKED	
CSc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1F	741763566	RZIRAYPQPKJSAR-UHFFFAOYSA-N	421.423	5.255	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)/C=C\c1cnc2ccccc2n1	741920186	HWOLFFGJTJHRNT-SEYXRHQNSA-N	424.891	5.401	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)C[C@H]2OC(=O)c3ccccc32)c1	741969356	ACRIWCYYCNORNH-JOCHJYFZSA-N	416.864	5.047	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1C(F)(F)F	744118929	NVLXSFPXJXXHJD-SMDDNHRTSA-N	406.404	5.824	30	20	HKED	
O=C(COc1ccc(F)cc1F)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746436476	GXQZRSAAQKEZOL-OAHLLOKOSA-N	414.248	5.209	30	20	HKED	
O=C(/C(=C\c1ccc(C(F)(F)F)cc1)c1nc2ccccc2oc1=O)c1ccccc1	746959278	ZRMPTFVNBAVEMX-JXAWBTAJSA-N	421.374	5.630	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n1	747196881	DVASKAUWMSUEHH-CQSZACIVSA-N	401.438	5.009	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC)c(Cl)c2)ccc1OC	747574910	IIYXMWJVARCSAU-HNNXBMFYSA-N	419.934	5.073	30	20	HKED	
Cc1ccccc1-c1noc([C@H](C)ON=Cc2c(C)nn(Cc3ccccc3)c2C)n1	748100448	NMMUDDBNAQOLCF-IBGZPJMESA-N	415.497	5.018	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C1	753922455	ZPHJFMTXLSTTEV-UBHUBRDASA-N	410.461	5.475	30	20	HKED	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	753940088	XKWVCCLFVBRYHQ-PBEJRMEISA-N	411.530	5.848	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	757902804	JYLVLWJRYNOALR-DZGCQCFKSA-N	405.361	5.474	30	20	HKED	
CCN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1	761665959	ZICZQZZHUNRVOJ-ZDUSSCGKSA-N	409.383	5.362	30	20	HKED	
N#CCOc1ccc(Cc2nc(C3(c4cccc(C(F)(F)F)c4)CCC3)no2)cc1	771601198	BQOMFHIHSZDOPP-UHFFFAOYSA-N	413.399	5.052	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(C(C)C)cccc32)ccc1OC	772984421	FLCIVGDVZAJPBE-KNQAVFIVSA-N	408.542	5.503	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1	775372353	TVNULXZQNKNSEX-NRFANRHFSA-N	416.338	5.179	30	20	HKED	
CC(C)Sc1cc(Br)ccc1C=NNc1nc(O)c2ccccc2n1	779774938	PUPZKGKVYUEJEX-UHFFFAOYSA-N	417.332	5.044	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1	780150892	WZTNGFRREKXHKW-MRXNPFEDSA-N	416.443	5.837	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1c(Cl)cnn1C	780187423	RFFCIQBZKDYFJT-FPLPWBNLSA-N	422.735	5.164	30	20	HKED	
C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1NC(=O)c1ccccc1	781461649	BIOBWTPMNPGMDO-SFHVURJKSA-N	410.473	5.147	30	20	HKED	
CC(C)c1ccc(CSc2nn(CN3CCC(CC#N)CC3)c(=S)s2)cc1	781571671	GRFFTJJNQSWPQJ-UHFFFAOYSA-N	418.657	5.673	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Br)cc2F)ccc1OC	783252779	VNLPTUVAZNDALE-BBRMVZONSA-N	421.310	5.129	30	20	HKED	
CCCc1c(NC(=O)c2sccc2SC(F)F)cnn1-c1cccc(C#N)c1	784718113	XXBJPQIJNXYHKV-UHFFFAOYSA-N	418.494	5.325	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc(CC[C@@H](O)c4ccccc4)cc3)on2)c1	789977365	HQNONFLVNJNVDX-XMMPIXPASA-N	423.472	5.132	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C3\CCc4c(cnn4-c4ncccn4)C3=O)ccc21	792907487	XTJUQTKYUKKUIS-NBVRZTHBSA-N	419.488	5.003	30	20	HKED	
Cc1c(C(=O)O[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)sc2ccc(C#N)cc12	796614038	HMQMJAMCSXRFTJ-YOEHRIQHSA-N	424.547	5.052	30	20	HKED	
CC(C)n1ncc2c(C(=O)OCc3cc(C#N)ccc3F)cc(-c3ccccc3)nc21	804084869	LQNAWJMZYQZEBW-UHFFFAOYSA-N	414.440	5.047	30	20	HKED	
Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	806263081	ARBLDIWGDAGJHI-GAJHUEQPSA-N	423.582	5.224	30	20	HKED	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Nc1ccc(Oc3ccnc(C#N)c3)cc1)C2	810166828	PBLCAUBSPNKOQT-PMACEKPBSA-N	420.513	5.088	30	20	HKED	
CCCCCCC[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	812011081	PVXBWASJEMTUHK-GUDVDZBRSA-N	406.571	5.154	30	20	HKED	
O=C(Nc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1)c1cccs1	901380516	YNZGBMLBPKFVOU-UHFFFAOYSA-N	421.305	5.339	30	20	HKED	
C[C@@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	912697919	BYFZLFVNIHNVFK-ZCFIWIBFSA-N	415.305	5.520	30	20	HKED	
Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12	915087211	RKFZIDUPUWGXCF-NRFANRHFSA-N	410.477	5.562	30	20	HKED	
CC(=NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1)c1scnc1C	915112309	ZICBANYJACTIGH-UHFFFAOYSA-N	417.538	5.110	30	20	HKED	
COc1cccc(-c2nc(/C=C/C(=O)c3cc(Cl)c(OC)cc3OC)cs2)c1	916154531	JNPRKESDRKUMJQ-BQYQJAHWSA-N	415.898	5.385	30	20	HKED	
Cc1cc(/C=C\C(=O)[C@H](C#N)c2nc3ccccc3n2C)c(C)n1C1CCCCC1	916843442	HRACDPSEGXRCPV-HJBMFWNLSA-N	400.526	5.387	30	20	HKED	
Cc1nc(SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)c2c(C)c(C)sc2n1	916848158	CUJHAPATWYVXTJ-MRXNPFEDSA-N	418.547	5.133	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2c(s1)-c1ccccc1CC2	916883970	XCGFDXNTLZQDHN-GOSISDBHSA-N	406.894	5.128	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(F)cc2)cc1	916911216	UYDHETCUCRTNPT-SFHVURJKSA-N	408.816	5.233	30	20	HKED	
CC(C)CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916927893	DQMHUACHRGHGKX-QGZVFWFLSA-N	419.308	5.379	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(CCC#N)CC(C)C)cc12	917364124	OISBKFBHFMKEPG-UHFFFAOYSA-N	400.935	5.061	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920140321	BRGUBXBEWKQBFJ-HXUWFJFHSA-N	413.502	5.084	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@](C)(OC)C1	1507859513	YEZRLOCBXZOZRS-JOCHJYFZSA-N	402.970	5.000	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)CC1	1829069219	RFMUGSNPXIFRQZ-DHIUTWEWSA-N	414.634	5.367	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1	1831373846	IDRINXDTTDGZIY-RXVVDRJESA-N	416.993	5.094	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccoc1C	7172198	RQWQZKBUSILMMQ-AWEZNQCLSA-N	416.934	5.114	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccccc1C#N	10244811	AANGPLWUKLWECK-KRWDZBQOSA-N	424.529	5.735	30	20	HKED	
C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F	15336600	JIIORZUVUBPWDT-HNNXBMFYSA-N	410.395	5.650	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(C(CC)CC)cc1	22797676	SURWKJBIEWTZRM-UHFFFAOYSA-O	417.545	5.260	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3)n2)nnc1-c1ccoc1C	25677122	SGHFDFOIMBROCY-UHFFFAOYSA-N	409.540	5.525	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2ccccc2s1	41498065	NILMSQTZPPJQCL-SFHVURJKSA-N	415.449	5.178	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(F)cc1	59795746	QIRFKKYYFKPVBM-UHFFFAOYSA-N	416.909	5.045	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	62403072	WREZJAZFSLBKHI-UHFFFAOYSA-N	417.484	5.341	30	20	HKED	
CCCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[nH]c(C)c1C(C)=O	66037256	WMMVCXQMOBVIGZ-UHFFFAOYSA-N	401.466	5.395	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(F)c(-c3cccs3)c2)ccc1OC	236895956	LUBPHFMWRGFVMR-GOSISDBHSA-N	410.514	5.534	30	20	HKED	
COc1cc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)ccc1SC(F)F	303174073	SALOJCMERMNQPY-CMDGGOBGSA-N	403.475	6.030	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	303320378	REQVSWMLWKDGJM-UHFFFAOYSA-N	413.308	5.103	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1	303343206	YZXBTYOAJCRXTA-CHWSQXEVSA-N	409.338	5.651	30	20	HKED	
COc1cc(F)c(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC	410001372	BEXFZBLEXFLDRT-UHFFFAOYSA-N	408.454	5.118	30	20	HKED	
Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(C#N)cc3Cl)c2C)cc1Cl	430362777	XGHIVVKLNBDRMN-UHFFFAOYSA-N	413.308	5.157	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N(CC3CCC3)CC3CC3)c2)cc1	431883787	SUXSRUKIQWYUEK-UHFFFAOYSA-N	403.526	5.376	30	20	HKED	
CC[C@@H](C#N)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1	436043375	JLKXOTMDGYWXCT-KRWDZBQOSA-N	423.508	5.808	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	438053488	KRURSPPSEWVKBL-INIZCTEOSA-N	413.612	6.675	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C(C)(C)C)no1	438674257	WSLKXPLCHCQTAZ-ZDUSSCGKSA-N	423.448	5.053	30	20	HKED	
N#CCC[C@H](NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)c1ccccc1	438841661	MEAXADKNAWKKGO-NRFANRHFSA-N	413.443	5.549	30	20	HKED	
Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1NC(=O)Nc1ccccc1	439672759	KSUNHHVXFQBZFP-JOCHJYFZSA-N	412.493	5.414	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)[nH]1	442996144	GQJJBASAJOLZMV-UHFFFAOYSA-N	418.840	5.026	30	20	HKED	
Cc1ccccc1C1CC(N(C(=O)c2cn(CCCC#N)c3ccccc23)C2CC2)C1	444253635	YPZHHSLKZXMBFS-UHFFFAOYSA-N	411.549	5.804	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)CCc1nc2cc(Br)ccc2s1	463855906	DSGPLSBUJGGKTR-UHFFFAOYSA-N	422.392	5.170	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)c1sc2ccccc2c1Br	464139004	QBWCYKKWGVFCFD-HXUWFJFHSA-N	413.340	5.309	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1OCCC(C)C	464409739	VDHQVNOMTORUIW-MRXNPFEDSA-N	406.404	5.024	30	20	HKED	
N#C[C@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1cc(C(F)(F)F)ccn1	464429508	WJANXGWRGJPDKK-LBPRGKRZSA-N	409.289	5.157	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	476328308	REDZAMJGMPSJFG-UHFFFAOYSA-N	421.500	5.167	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc(Br)cc1[N+](=O)[O-]	485699660	YKZQRTBPCMVEGM-UHFFFAOYSA-N	409.305	5.523	30	20	HKED	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)c(C)c1	486694749	DYHFQGWHBIMNOQ-MRXNPFEDSA-N	403.448	5.125	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2ccc(C3CCC3)cc2)nnc1-c1ccco1	487678335	QPAGXAQBZKOWAV-UHFFFAOYSA-N	408.527	5.113	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1cc(C(F)(F)F)ccn1	499455163	MUCVYPDGFPIOPT-OAHLLOKOSA-N	423.822	5.350	30	20	HKED	
C=C(C)COc1cccc(NC(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)c1	499579512	OIYSEKAQFMAEGZ-UHFFFAOYSA-N	420.469	5.185	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1	502659851	AUBXDTBGMLTAGN-UHFFFAOYSA-N	402.454	5.430	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(COC(C)C)cc2)cc1	505619591	IOFZUGGCXMOBQQ-UHFFFAOYSA-N	416.477	5.536	30	20	HKED	
C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	508530338	XGOTXVLLFPPGGI-UHFFFAOYSA-N	411.958	5.669	30	20	HKED	
C=C(C)Cn1c(SC[C@@H](OC)c2ccc(Cl)cc2)nnc1-c1ccncc1	509073481	BQPBCCQIVLNDIE-GOSISDBHSA-N	400.935	5.049	30	20	HKED	
CCc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2c(C(C)C)noc2n1	509469102	GSTQBWBAHIFYRB-AWEZNQCLSA-N	408.527	5.555	30	20	HKED	
C[C@@H](C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(F)c(F)c1	511705311	VFZRIPZOYLUJFP-PSLIRLAXSA-N	409.301	5.090	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)c1nnc(-c2ccccc2)o1	513818975	NMFCPNHFFYNESE-AWEZNQCLSA-N	416.294	5.387	30	20	HKED	
C=CCn1c(SCCOC(c2ccccc2)c2ccccc2)nnc1-c1ccco1	514737145	SUTRPFBOCNFBRV-UHFFFAOYSA-N	417.534	5.622	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1	518018763	YRPWPBPAKWMLTM-UHFFFAOYSA-N	419.437	5.136	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCOc1cccc(Cl)c1Cl	518740394	ZUDDGXDSGRLLFS-CYBMUJFWSA-N	409.338	5.795	30	20	HKED	
CC[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1OC(F)F	518765706	ZTGTXWLJWLATQA-HSZRJFAPSA-N	422.475	5.980	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	520005018	VXZQPVZGRKUIDO-CQSZACIVSA-N	421.419	5.269	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	520006996	HSWAITSFDHKJCD-SNVBAGLBSA-N	415.952	5.933	30	20	HKED	
CC[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc2ccccc2[nH]1	520706622	BYWJQUXUHVSRMK-IBGZPJMESA-N	414.440	5.247	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccccc1	521261877	APDLEYKEOUMDTO-OAHLLOKOSA-N	420.444	5.073	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1	522587679	LMAOYPSBYXSSEU-UHFFFAOYSA-N	415.836	5.911	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O	522863687	WUKHABCRWLQCSC-CQSZACIVSA-N	423.925	5.744	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](c2ccccc2)C1	524438710	SFBBRCADCUDFDR-QHCPKHFHSA-N	411.505	5.467	30	20	HKED	
Cc1cccc(Nc2nnc(SCc3nnc(-c4cccc(C#N)c4)o3)s2)c1C	525112567	PXNQLTMAUKDART-UHFFFAOYSA-N	420.523	5.113	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)n1	525327059	BDFTWPLROUMVRS-HNNXBMFYSA-N	409.923	5.872	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1	531825712	SVCFNAJEFCAXAT-UHFFFAOYSA-N	423.513	5.037	30	20	HKED	
N#CCc1ccnc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)c1	532434633	MXXZEKNIJPAHAH-UHFFFAOYSA-N	417.465	5.578	30	20	HKED	
C[C@H](C#N)CN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C1CC1	533142404	ZVMGDBXCEJIMAU-CYBMUJFWSA-N	417.278	5.145	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1	537902417	BRJZIGWVTVAKLW-QPPBQGQZSA-N	414.530	5.217	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ncccc1C(F)(F)F	538424576	NCXBBDKTTLECIE-LBPRGKRZSA-N	416.243	5.153	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1C	538486258	CNMFCDDJJCTQJE-SFHVURJKSA-N	408.527	5.175	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C	539777629	UDECJLGIZRMOSH-QRWLVFNGSA-N	406.917	5.724	30	20	HKED	
C[C@@H](NCc1ccc(Oc2ccccc2)nn1)c1ccc(-c2cccc(C#N)c2)cc1	541085853	XGKHSGZEULMQMI-LJQANCHMSA-N	406.489	5.658	30	20	HKED	
Cc1ncc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1	543980758	LVNHCMLOHSSHGO-GFCCVEGCSA-N	422.316	5.882	30	20	HKED	
Cc1cc(NC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)nn1CCC#N	544700510	ZOXQTZMGAHTQPX-UHFFFAOYSA-N	414.893	5.301	30	20	HKED	
Cc1nnc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	546130781	XQJWHTZVSDODQE-SJKOYZFVSA-N	411.918	5.038	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C)c1C	557983090	BSARBQZDXULPBC-UHFFFAOYSA-N	400.478	5.323	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	562171910	WECVPNJSIFBYHU-UHFFFAOYSA-N	424.398	5.483	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N[C@H](C)c1ccc(C#N)cc1	576269811	UJQCNCASKFDEMV-GFCCVEGCSA-N	404.333	5.315	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3csc4ccccc34)cc2)ccn1	578941652	PEGMVOWLBMXJBP-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
N#CC1(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CCCCC1	585718325	SSUZKVYJLXRLOP-UHFFFAOYSA-N	407.564	5.424	30	20	HKED	
CCSc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1	590208050	LYXKUQBITITSEI-GFCCVEGCSA-N	407.442	5.312	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	590208553	UWXGXZMYJIXICF-LBPRGKRZSA-N	423.485	5.769	30	20	HKED	
Cc1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c(C#N)c1C	590783403	RGPHFIAZANXMML-UHFFFAOYSA-N	406.442	5.140	30	20	HKED	
C=CCOc1ccccc1CNC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	601150576	PHVFMWPKMBEZIK-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c12	603934598	OIBQPLSMKYSTIH-UHFFFAOYSA-N	420.561	5.299	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	604247099	AUEHHVNNTYMLLP-UHFFFAOYSA-N	406.869	5.409	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)[C@@H](C#N)c3ccccn3)c12	606754518	WAMJXSRPSCCFFK-INIZCTEOSA-N	422.366	5.102	30	20	HKED	
C=CCCCCCN(C)C(=O)CCc1ncc(-c2ccccc2Br)o1	606814484	LBWHDFGVZCMNDT-UHFFFAOYSA-N	405.336	5.242	30	20	HKED	
FC(F)(F)COc1ccccc1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608493128	CIZQYIPZFVOKAZ-TXEJJXNPSA-N	409.292	5.190	30	20	HKED	
Cc1cc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2[nH]c(C)c(C)c2c1	609059148	XKXRUPYVUASKCM-UHFFFAOYSA-N	413.477	5.067	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1	609061377	BGANTOSQYCAFMZ-KRWDZBQOSA-N	420.896	5.505	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C(C)(C)C)cs1	609295936	IVVODOFVGJYXQI-OAHLLOKOSA-N	420.538	5.987	30	20	HKED	
COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	609378522	RLARJQDOFSSALB-UHFFFAOYSA-N	408.445	5.291	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1Cl	609448510	FOALSKWFNSQAFI-IBGZPJMESA-N	409.804	5.295	30	20	HKED	
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)nc1	609508086	XXSPZBHLLNNANR-UHFFFAOYSA-N	402.504	5.032	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1	610093343	DADGYTXSBAFILZ-QFIPXVFZSA-N	415.449	5.162	30	20	HKED	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	610321934	UVAMSHKKGNPPDI-AHWVRZQESA-N	411.505	5.183	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	611902619	WGFXKYVJSMHMMO-MRXNPFEDSA-N	400.526	5.285	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1	613320452	YTZMZSQFFVMLLF-CQSZACIVSA-N	404.825	5.555	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1Cl	619788636	ZRQVJTMVLTZOAN-UHFFFAOYSA-N	403.738	5.187	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC2(CCOCC2)[C@H]1C)c1ccc(C(F)(F)F)cc1	680388608	UVUPHNAHFKMXRM-APWZRJJASA-N	410.480	5.313	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1OC	727267360	IALIWSBQZNKISS-BJMVGYQFSA-N	413.470	5.180	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)c1	727330305	CMMJCWDXVGAMFC-UHFFFAOYSA-N	413.477	5.121	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	727629593	UIEUHMSTUULGOX-NRFANRHFSA-N	402.494	5.180	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)Nc2cc(OC)ccc2OC)c1	728227478	LDJKLXAALGVSGV-UHFFFAOYSA-N	402.519	5.089	30	20	HKED	
C#Cc1cccc(N(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)C(C)C)c1	728246886	NKJZAROQDDLUKI-UHFFFAOYSA-N	408.586	5.055	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](c3ccccc3)C(C)C)n2)cc1	728769741	JFLYXQYSXYJIRW-LEWJYISDSA-N	404.535	5.825	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1	728913506	AACLYUCQDQHRGV-KSSFIOAISA-N	409.942	5.352	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(C)ccc2c1Cl	729187625	HBGXLHVCUYDKGZ-KRWDZBQOSA-N	424.953	5.949	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)s2)c2ncc[nH]2)c1	729240640	UACGNPKAGIBCLX-ZHZULCJRSA-N	404.466	5.709	30	20	HKED	
O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1ccc(N2CCC(O)CC2)cc1	730085924	WGYFUZGMETWRAW-NTEUORMPSA-N	413.517	5.123	30	20	HKED	
N#CCOc1ccc(COC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1	733478735	WOEUKOSFSDUWKZ-UHFFFAOYSA-N	418.396	5.088	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccccc3)cc2OC)c1	733770301	FQSNEVFEXAGOEZ-SFHVURJKSA-N	406.507	5.035	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1	733805414	BMBKHVNPDUUNKU-PXDATVDWSA-N	413.521	5.567	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	734081562	MZUQTRLNKBQHQY-LRDDRELGSA-N	416.333	5.567	30	20	HKED	
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	736160101	LHBPDDHNUKJIIP-UHFFFAOYSA-N	421.840	5.667	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	739156818	QVXCBSNMICUXNC-IUODEOHRSA-N	421.369	5.505	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C)c1ccncc1	740481538	ZIIYFIAPKVQJFL-GHTZIAJQSA-N	420.582	5.842	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)c1nc(Cc2ccccc2)no1	742705598	VKMXHYIEQMMKFI-IBGZPJMESA-N	424.504	5.593	30	20	HKED	
Cc1cccc2c(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c[nH]c12	743093405	TZDWIGLDMJYNMA-XMMPIXPASA-N	408.505	5.496	30	20	HKED	
Fc1cc(Br)ccc1CON=Cc1cccc(OCc2ccncc2)c1	746331103	ZFGHUVKDKFURDN-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	752165055	SSQGIHDGRPFPDA-LBPRGKRZSA-N	404.278	5.011	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc1C#N	752201289	UAXDTQSWIYOJOO-UHFFFAOYSA-N	420.856	5.094	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NCCNc2ncccc2C#N)cc1	752716241	XRVRTELMIZZWFV-KRWDZBQOSA-N	417.538	5.040	30	20	HKED	
Cc1nc([C@@H](C)N2CCO[C@H](c3cccc(C#N)c3)C2)oc1-c1ccc(Cl)cc1	761762829	WLYXEUICZLZKGD-IERDGZPVSA-N	407.901	5.310	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)[C@@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CC2	763953219	TWPYRLOYLZQAOB-GDBMZVCRSA-N	410.445	5.003	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccccc2C(F)(F)F)nnc1-c1ccccc1C	764703292	DAYZPKONYPSFGC-SFHVURJKSA-N	419.472	5.284	30	20	HKED	
N#C[C@@H](COC(=O)CCC(=O)c1cc(Cl)sc1Cl)Cc1cccs1	772734793	QNXVCICVPKDWRD-JTQLQIEISA-N	402.324	5.005	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)OC[C@H](C#N)Cc3cccs3)cs2)cc1	772743463	SBBGZYOUEYFIPL-HNNXBMFYSA-N	412.536	5.198	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](Cc2cccc(OC)c2)c2ccccc2)c1	772983442	IIMNNVKNKMFUKN-BVAGGSTKSA-N	400.522	5.450	30	20	HKED	
CCCOc1c(Br)cc(CNc2ccccc2O[C@@H](C)C#N)cc1OC	779989403	RXVZWFWSBGXFAJ-AWEZNQCLSA-N	419.319	5.149	30	20	HKED	
Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(C)c1Cl	780327918	LKISUZHXZLHOLK-SFHVURJKSA-N	421.909	5.207	30	20	HKED	
Cc1cc(F)cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1[N+](=O)[O-]	782487495	JKZVWCUBYAHXFT-OAHLLOKOSA-N	403.413	5.072	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	783377984	LEPYQIRMWHHNKQ-SFHVURJKSA-N	424.497	5.454	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)c(F)c1C	785880775	OPPOTKONWRELDX-MRXNPFEDSA-N	420.406	5.239	30	20	HKED	
CC(C)(C)c1nc(C#N)c(NN=C(Cc2ccccn2)c2ccc(Cl)cc2F)o1	787153025	IBECEBCSEZPMHZ-UHFFFAOYSA-N	411.868	5.090	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)[C@@H](O)c1c(F)cccc1F	789454817	FYEFUIKLEPJFIW-DENIHFKCSA-N	402.485	5.450	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)COC(c2ccccc2)c2ccccc2)s1	797568750	VRRYWINBXYUTOO-IBGZPJMESA-N	404.535	5.423	30	20	HKED	
Cc1ccc(C2=NO[C@@H](CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1C	801628158	BYKGKEXLOMZTAP-PKOBYXMFSA-N	422.554	5.012	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(C(F)F)sc3c2)c1	806697630	JHJBWHKPMULUKK-CQSZACIVSA-N	416.453	5.237	30	20	HKED	
Cc1cccc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)sc12	808979327	IBAWOWJHYVUYGT-CYBMUJFWSA-N	403.290	5.478	30	20	HKED	
CCOc1ccc(C(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915087807	XTCOVOMTWRTXRD-XMMPIXPASA-N	412.489	5.342	30	20	HKED	
COc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1OC(F)F	915180972	UOICYHMUBGMTEZ-IBGZPJMESA-N	408.404	5.204	30	20	HKED	
CN(CCOc1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353033	PXEIELYZKDICLY-OAQYLSRUSA-N	403.457	5.024	30	20	HKED	
C=CCN(C(=O)c1cc(Cl)nc2ccccc12)c1nc(-c2ccccc2)cs1	916239974	ASYGYIRKEXVLIF-UHFFFAOYSA-N	405.910	5.845	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCC#N)c2)c(C)c1	916410848	HQWVGRGPAFOXHQ-UHFFFAOYSA-N	422.488	5.311	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)Cc1ccccc1-2	916907342	LZKMIOPKOFXVIQ-XMMPIXPASA-N	408.501	5.344	30	20	HKED	
CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928795	UOMIJNVNHIKCSS-SCBHQAGPSA-N	415.320	5.652	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOCCc3ccccc3)n2)cc1	916974220	GXIUMXMLPQTCSQ-NRFANRHFSA-N	404.535	5.334	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1	920114015	XGFOEQABLPBVEN-RDTXWAMCSA-N	414.452	6.199	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)SCc3ccccc3)n2)cc1	920138312	DIMYEOSREQJHTK-BEFAXECRSA-N	408.548	5.317	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C\C(=O)c3ccc(N4CCOC4=O)cc3)ccc21	920749775	PNQIHEJJBOQUQB-ZSOIEALJSA-N	410.473	5.667	30	20	HKED	
CCN(C(=O)Nc1cc2oc3ccccc3c2cc1OC)[C@H](C)c1ccc(C#N)cc1	920938877	QJXNYPDHKHXQOP-MRXNPFEDSA-N	413.477	6.081	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccccn3)CCC2)cc1	1786104509	WWSPBDMYPDBLRT-IBGZPJMESA-N	417.553	5.088	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1	1786591875	RKKNIROJCMXWLY-UHFFFAOYSA-N	408.464	5.065	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2C)CC1	1829066870	YBUDEGDMQFIYRG-NRFANRHFSA-N	416.631	5.282	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1	1831368426	YKKIFPFEQOKDFO-HTAPYJJXSA-N	416.993	5.094	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1	1831376636	TWLUCRMAADJVCV-NTKDMRAZSA-N	408.586	5.010	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)C3CCN(c4nc5ccccc5o4)CC3)cc2)cc1	11328854	FEPFYNPVZNTIEB-UHFFFAOYSA-N	423.472	5.188	30	20	HKED	
C=CCNc1nnc(SCc2csc(COc3ccc(Cl)cc3)n2)s1	14051100	ZUMFYKWCMFFQCG-UHFFFAOYSA-N	410.977	5.117	30	20	HKED	
C=CCn1c(S[C@H]2CCCCCC2=O)nc2scc(-c3ccccc3)c2c1=O	29381706	PVUIXCJXMDICKI-SFHVURJKSA-N	410.564	5.305	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)no2)nnc1-c1ccc(Cl)cc1	29874877	INGQOQRGVJWTDS-UHFFFAOYSA-N	408.914	5.732	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1	32058284	KAURQYAAFPJVAU-UHFFFAOYSA-N	412.367	5.288	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cs1	48855874	LZMUJEYALDRWFX-IBGZPJMESA-N	415.543	5.782	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2ccccc2o1	54734980	HLRKEZRPLMOOTC-FQEVSTJZSA-N	408.413	5.643	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)sc1-c1ccc(F)cc1	78720144	GCUZAZXCDBGQIX-HNNXBMFYSA-N	410.539	6.509	30	20	HKED	
Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)sc1SCC#N	107899609	KOHFUCXGXJQCGO-UHFFFAOYSA-N	405.957	5.701	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Cc1ccccc1F	303772462	JPGKFNYSTYDDRZ-GOSISDBHSA-N	402.469	5.402	30	20	HKED	
C[C@H](N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1	437028884	COHGXANWLYAEQT-APPDUMDISA-N	404.329	6.060	30	20	HKED	
CCCc1c(NC(=O)c2cnc(-c3ccsc3)s2)cnn1-c1cccc(C#N)c1	440070394	MPZZQKXOKFDFDC-UHFFFAOYSA-N	419.535	5.134	30	20	HKED	
COc1ccccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)c(C#N)n2)cc1	443405659	BRUPHYCZOUGNPY-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(OCc3cscn3)c2)c2ccccc21	444136733	FNPNYGNOSVQFPX-UHFFFAOYSA-N	416.506	5.233	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)c1	464053230	SDCOPFOZMDMTGF-UHFFFAOYSA-N	417.465	5.061	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)c1	464055499	SEJXHOXGOFODHA-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	464967382	YQYKMTIUDLQRNQ-MAODMQOUSA-N	400.444	5.182	30	20	HKED	
CCc1ccc([C@@H](COC)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1	466062549	LHCFTOOKSJHZHL-JOCHJYFZSA-N	419.481	5.324	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(-n2cccn2)cc1	466958835	YHVUKHBZUBRUHU-GOSISDBHSA-N	423.476	5.419	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)cc1F)N(CCC(F)(F)F)CC(F)(F)F	468549597	WMGSAIIGUYMBKF-UHFFFAOYSA-N	411.292	5.589	30	20	HKED	
COc1ccc2c(c1)[C@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCS2	469061001	RGQHAJCGJXVICK-OAQYLSRUSA-N	421.566	5.317	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4c(Cl)cc(Cl)cc43)ccc21	469284931	UJKYMJTVIMDQHV-HXUWFJFHSA-N	414.336	5.676	30	20	HKED	
Cc1ccccc1-c1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n(C)n1	470185189	JSWDMFSGNSRNLV-UHFFFAOYSA-N	422.488	5.099	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CC(=O)c2ccccc21	475493019	FQKYUPYZTLSWBE-NRFANRHFSA-N	400.865	5.115	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cn(-c2ccc(F)cc2)nc1C	475548853	KISHLFXPHVJVFP-UHFFFAOYSA-N	406.505	5.493	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1	475556991	VNFARTXBMNWZAU-UHFFFAOYSA-N	419.569	5.273	30	20	HKED	
Cc1coc(-c2cc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2C)n1	479284121	NUGYOWFFQAFHOQ-YADHBBJMSA-N	400.482	5.262	30	20	HKED	
N#C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(OCc2ccccc2)cc1	480804962	NENBTENHBSTGAA-HXUWFJFHSA-N	411.288	5.567	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C	481007775	HOFRWJMKCXQCJW-DGCLKSJQSA-N	400.454	5.054	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	481181117	YRLIVBVFVXZZDI-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
Cc1ccc(C)c(-n2cnc3cc(C(=O)[C@@H](C#N)c4cnc5ccccc5n4)ccc32)c1	483200241	PTVCEGHMGKFZSA-IBGZPJMESA-N	417.472	5.076	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1	483632603	DJWXRIAFIVZVKR-LIRRHRJNSA-N	412.415	5.210	30	20	HKED	
N#CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C12CC3CC(CC(C3)C1)C2	486589192	ZIMNYYFUTDFLGO-UHFFFAOYSA-N	409.511	5.134	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1cccc2ccccc12	487361605	RWYUBLAIDNAMAG-QZTJIDSGSA-N	403.551	5.523	30	20	HKED	
C=CC[C@H](C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1	487549625	OCMHKWRMWBMSFI-INIZCTEOSA-N	405.325	5.140	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ncccc2-c2ccccc2)c1	504599987	XQTWUVGDLUYAHR-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1C(=O)N1CCCCC1	508637046	MYJSOIDRNUHDJW-UHFFFAOYSA-N	417.534	5.268	30	20	HKED	
C=C(C)[C@H](Cc1nc([C@H](Oc2ccc(Br)cc2)C(C)C)no1)OCC	508643157	DOPUAOKMYOXDTM-FUHWJXTLSA-N	409.324	5.132	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCN1CCC[C@H](C)C1	510875600	ZORQDJRMRGSTSU-IBGZPJMESA-N	420.557	5.293	30	20	HKED	
COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)ccc1OCc1ccccc1	512654685	OADFMVJQHPVDIN-MSOLQXFVSA-N	404.485	5.697	30	20	HKED	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[C@@H](C#N)c2nc(C)cs2)cc1	513677641	ZWSPJRDYXIPLDU-LJQANCHMSA-N	416.481	5.242	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cc(C#N)c2ccccc2n1	514630977	PCWQIPYYEKFPFT-UHFFFAOYSA-N	422.366	5.341	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1	517437384	FITPQSFESLUTHO-HNNXBMFYSA-N	422.531	5.639	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2c(C)cccc12	518148241	PJGYJWALAJMBKT-UHFFFAOYSA-N	418.440	6.327	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518376520	YBJDPZOLKOAJJU-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C(F)(F)F)cc1	519430258	FNCFLEVQLJWRHO-CQSZACIVSA-N	424.513	5.972	30	20	HKED	
CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12	519734081	YCUMTSYGXRLBRQ-GRYUFTJMSA-N	415.537	5.026	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c3c(C)noc3n2)cc1	522272913	OEEFQFCCFCMZPV-UHFFFAOYSA-N	424.504	5.429	30	20	HKED	
CCO[C@H](C)c1nc(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1	524213547	VPJSOUNSCLOLGM-OAHLLOKOSA-N	407.495	5.086	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	524336329	OHHRTANCSBQRLG-VGOFRKELSA-N	420.896	5.067	30	20	HKED	
COc1ccc2sc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c(C)c2c1	525657341	SRURRWTTZHHZBM-UHFFFAOYSA-N	418.440	5.295	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2c(s1)CCCC2	531065453	QVSQVKMYYCMLNZ-UHFFFAOYSA-N	421.547	5.724	30	20	HKED	
CC(C)c1nn(-c2ccccc2)cc1CNCc1cn(CCC#N)nc1-c1ccccc1	532358693	VLDGXIYMHXCFLC-UHFFFAOYSA-N	424.552	5.063	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cccnc3-c3ccccc3)c2)cc1	533658985	CGZNQYTVAYYRPQ-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1cc(C)c(C[C@H](C(=O)Nc2ncccc2OCCCC#N)C(F)(F)F)c(C)c1	535127534	IOEZPYUIPMWGAZ-GOSISDBHSA-N	419.447	5.049	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1	536283995	XEEGYZZJRINRCC-UHFFFAOYSA-N	408.461	5.422	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	537061500	OCBXQFGNXDCHGF-ROUUACIJSA-N	411.571	5.015	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1	538625929	LFPFPKCYKQAQEI-KNQAVFIVSA-N	423.476	5.193	30	20	HKED	
N#Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1F	539250058	WLQABIBTRNEGJL-UHFFFAOYSA-N	410.257	5.258	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cccc(Cl)c1Cl	539313525	BUTPDPVVATUFNZ-UONOGXRCSA-N	422.381	5.534	30	20	HKED	
N#Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)ccc1Cl	541789109	IEECINLPYSXPRP-LJQANCHMSA-N	411.292	5.232	30	20	HKED	
O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	543408086	UJVMDCCAKPAHAJ-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1	546083833	JAXYROKTUPCXFH-LJQANCHMSA-N	402.416	5.138	30	20	HKED	
COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)CCCCOc1cccc(C#N)c1	553487643	AZPOCVBJRHAHNT-WMZHIEFXSA-N	406.526	5.116	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](c3ccccc3)C2)cc1C	554154386	VSXVEKKKVYYIKM-QHCPKHFHSA-N	412.537	5.100	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)cc1	558500109	NFJCAMCMSSKMEM-UHFFFAOYSA-N	407.489	5.023	30	20	HKED	
CC(C)(c1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)C(F)(F)F	561309832	XESYPSGYYDFEIF-HNNXBMFYSA-N	419.422	5.002	30	20	HKED	
C=CCC[C@H](NC(=O)CCCn1c(C)cc(=O)cc1C)c1ccc(C(F)(F)F)cc1	564513022	GQERIORHAPLFKB-NRFANRHFSA-N	420.475	5.088	30	20	HKED	
C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	572414129	IVYASCQUAXZVCY-KOSHJBKYSA-N	412.493	5.751	30	20	HKED	
CCN(C(=O)c1nc2ccccc2cc1Br)c1ccc(C#N)c(Cl)c1	573720002	FRFZRQLUIRJBTC-UHFFFAOYSA-N	414.690	5.189	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H](OC)c2ccc(F)cc2)no1	574078807	BRLKZTOYPXWLOF-KRWDZBQOSA-N	408.351	5.195	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cnnc(-c4ccccc4)c3)c2)cc1	576672765	CFQOZARWACWZMC-UHFFFAOYSA-N	420.472	5.041	30	20	HKED	
COc1cc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)cc(Cl)c1OC(C)C	578798258	SSRLJUCUOQOGSM-INIZCTEOSA-N	411.889	5.426	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2OC(F)F)c1	584552266	UEVJSCOKVYUWCY-UHFFFAOYSA-N	414.795	5.858	30	20	HKED	
CC(C)(C#N)c1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	585755115	VUBXDDLINGSOQF-QFIPXVFZSA-N	416.487	5.764	30	20	HKED	
C=CCN(CCC#N)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	590408756	UUKGKEJXTBXLID-XYUDRNGQSA-N	422.413	5.037	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)CC3	603693498	XDHIVJXKDGECMR-UHFFFAOYSA-N	423.476	5.126	30	20	HKED	
CC(C)Oc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	609172192	RQUBHDCHWFQBHJ-XMMPIXPASA-N	400.478	5.047	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)c(F)c1	609262676	USHHXFOLSGMIIB-OAQYLSRUSA-N	410.901	5.501	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCOc1cccc2ccccc12	609427596	NLSIZSPJCYNCNF-SFHVURJKSA-N	404.535	6.032	30	20	HKED	
COc1ccccc1CC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	609437055	NDKXHJYLNYGVNA-GOSISDBHSA-N	423.582	5.576	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc(F)cc2)CC1	609683041	WQWWEVKXUCSWHG-MRXNPFEDSA-N	413.518	5.295	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Nc3cccc(CC(F)(F)F)c3)cn2)c1	610321101	GRFHKUYXOPUHPR-UHFFFAOYSA-N	412.371	5.494	30	20	HKED	
CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1	610335063	NTROOFWDECJKJT-OAHLLOKOSA-N	407.449	5.150	30	20	HKED	
COc1ccc(C#N)cc1CN1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1	618552078	YMTWRPQOBXMEQG-GOSISDBHSA-N	419.550	5.079	30	20	HKED	
CCOc1cccc2cc([C@H](C)N[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)oc12	619647223	AHIHMYFXQSDVLP-KBPBESRZSA-N	411.889	5.034	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1nc2cc(F)ccc2s1	683223383	WJXWCQPABJPOAK-SECBINFHSA-N	400.303	5.222	30	20	HKED	
C[C@@H](NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccs1	726469150	NRFJYKDCUTWBJU-MRXNPFEDSA-N	407.564	5.441	30	20	HKED	
CN(CCCc1cc(-c2ccccc2)no1)C(=S)Nc1ccc(C#N)c(Cl)c1	726489180	GMDUEHLGLYREBJ-UHFFFAOYSA-N	410.930	5.128	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2csc(-c3ccccn3)n2)c1	728181358	CVHRZCULRDAMQW-UHFFFAOYSA-N	415.543	5.024	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)c1	728482413	LQSXCNSWIIEQHI-UHFFFAOYSA-N	408.505	5.246	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NC3CCN(CC4CCCCC4)CC3)c2)cc1	728518516	MQBJPTUXZIXEDM-UHFFFAOYSA-N	417.553	5.125	30	20	HKED	
CC[C@H](Oc1ccccc1C(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	730071286	JGGBQZGRDWIVRD-AEFFLSMTSA-N	412.942	6.107	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](CC2CCCCC2)C(C)C)ccc1OC	734327519	ZFAITECURLTTON-SFTDATJTSA-N	400.563	5.235	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	739181832	XUNBWDVSPJIJOD-NHYWBVRUSA-N	406.404	5.824	30	20	HKED	
CSc1ccc2cc(Cn3c(C)nnc3-c3cccc(C#N)c3)c(Cl)nc2c1	739437864	VDFVMLPXXHVBRC-UHFFFAOYSA-N	405.914	5.097	30	20	HKED	
CCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H](C)c1ccc(F)cc1	740483910	ZGGJQYBOZAOEQK-INIZCTEOSA-N	407.514	5.719	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)N(Cc1cccs1)Cc1cccs1	743202948	YECAXHMMDMQXDY-UHFFFAOYSA-N	400.500	5.195	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Br)c(F)c2)cc1	743447988	YYHIJSYEASKZPD-LRDDRELGSA-N	417.278	5.063	30	20	HKED	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744964031	SJOJCSKHAUAPMT-JQWIXIFHSA-N	420.387	5.010	30	20	HKED	
CC(=O)c1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	745723675	FCKLMCMMIGJAEK-UHFFFAOYSA-N	417.509	5.612	30	20	HKED	
Cc1nc(C(C)C)nc(O)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	747368785	YJLSNHUEYXYXRZ-UHFFFAOYSA-N	422.872	5.184	30	20	HKED	
CC[C@H](C)n1c(-c2ccccc2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S	749883901	LSFYYKJKENRVIY-IBGZPJMESA-N	419.598	5.792	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1F	752038561	GPQXRSMAOHNDLD-GHTZIAJQSA-N	423.488	5.085	30	20	HKED	
C[C@H](OC(=O)Cc1cccc(C#N)c1)c1ncc(-c2ccc(Cl)cc2Cl)o1	753384248	YUODNOAPZAHVGN-LBPRGKRZSA-N	401.249	5.367	30	20	HKED	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	754874218	IOYZFCMRWABWED-ZFWWWQNUSA-N	421.950	5.065	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)cc1	756232603	BZFIXNDBKWGTNN-FQEVSTJZSA-N	406.482	5.386	30	20	HKED	
C[C@H](C[C@@H](O)c1ccco1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	759498184	YQCVJSKQRCDMIX-MFMILTCTSA-N	423.900	5.222	30	20	HKED	
O=C(/C=C\c1ccc(/C=C/C(=O)c2c[nH]c3ncccc23)cc1)c1c[nH]c2ncccc12	761812352	KQGQJQVTWQTIGP-DSOJMZEYSA-N	418.456	5.231	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)c1	762027165	WACUPAPURRGHQX-HNNXBMFYSA-N	411.433	5.017	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c2ccccc21	767896305	OLVSZXCBHJQISZ-UHFFFAOYSA-N	406.917	5.451	30	20	HKED	
CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1cc2c(ccc3ccccc32)o1	769809481	BTYFJWVKHVOUTB-UHFFFAOYSA-N	414.469	5.022	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]2c2nc3ccccc3s2)cc1	771296368	MPEDUKHVHNLGOH-RXVVDRJESA-N	418.566	5.077	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)[C@@H](CC)Cc2ccccc2Br)c1	774251648	AWZHYOQTHRJHIS-SFHVURJKSA-N	401.373	5.080	30	20	HKED	
CN(C)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1	775505219	OUSZRSOPSSRWQO-UHFFFAOYSA-N	424.548	5.008	30	20	HKED	
CN(C(=S)Nc1ccccc1C#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	776266672	HBAJORNYWMJJCW-IEBWSBKVSA-N	403.473	5.542	30	20	HKED	
Cc1ccc(C(F)(F)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	779831841	GDOQTGSBPBBGBA-VXGBXAGGSA-N	403.313	5.113	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)c(C(F)(F)F)c1	780670559	MJDSHKRBUCKQMU-AWEZNQCLSA-N	421.419	5.105	30	20	HKED	
Fc1cccc(Cl)c1CCC=Nn1c(S)nnc1CSc1ccccc1	782246465	YZUBLGFPJKHKDH-UHFFFAOYSA-N	406.939	5.118	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1	785678902	RDMOCMQJUZEALB-XZOQPEGZSA-N	419.912	5.505	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)c(N)c(Cl)c1	786956021	CINNSZQSXLZQNQ-CYBMUJFWSA-N	417.340	5.332	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(C#N)cc2Cl)c(OCc2cccnc2)c1	788361011	ROGPNFFAITUHNI-RMKNXTFCSA-N	404.853	5.090	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=S)Nc1ccccc1F	789387785	OQQOLDFCTIORHM-UHFFFAOYSA-N	410.358	5.692	30	20	HKED	
COc1ccc(N(Cc2ccccc2)Cc2cn(CCC#N)nc2-c2ccncc2)cc1	789719696	BIQRTMZIMALSAZ-UHFFFAOYSA-N	423.520	5.074	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](C)C[C@@H]2c2ccccc2)c1=S	795747542	VUDBCTSSTKBZIO-WIYYLYMNSA-N	420.582	5.316	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cc(C(F)(F)F)n[nH]3)cc2Cl)c1	799734399	DBOCGSKWIYZREY-UHFFFAOYSA-N	406.795	5.145	30	20	HKED	
O=C(NCc1cccc(COCC(F)(F)F)c1)[C@H](F)c1ccc(C(F)(F)F)cc1	801686065	MUZLDMSELXCYAJ-MRXNPFEDSA-N	423.328	5.111	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2cc(F)ccc12	805865040	UPPYQSBPWBZHHE-KRWDZBQOSA-N	417.490	5.834	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	810532027	QXUAZFJBSNKKFL-CQSZACIVSA-N	409.700	5.317	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)s1	810716882	OADBABGJSHUWKJ-MRXNPFEDSA-N	407.495	5.158	30	20	HKED	
C#C[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1ccc(Cl)cc1	811947275	ZEQDNSTXUUZTGU-IBGZPJMESA-N	417.983	5.078	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccccc1)c1cccc(Cl)c1	813220461	JFSHZLJLSXWWBS-HSZRJFAPSA-N	420.896	5.195	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)c2cc(Cl)c(F)cc2Cl)c2ccccc21	815504501	AUCOFIMNLHWPBH-UHFFFAOYSA-N	419.239	5.041	30	20	HKED	
C=CCOc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1	913366729	UMGFUWNPHJDOOB-GOSISDBHSA-N	401.462	5.102	30	20	HKED	
CN(CCC#N)c1ccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	914795808	BXYIOYYNYSEQEE-HUUCEWRRSA-N	407.402	5.036	30	20	HKED	
COc1ccc(N=Cc2cc(Br)ccc2O)cc1NC(=O)OC(C)(C)C	915112892	JOSXQKYDJPTDQX-UHFFFAOYSA-N	421.291	5.261	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3cc(C)ccc3C)n2)cc1	916627864	AUAGJAHQPYFNKL-FQEVSTJZSA-N	402.519	5.575	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(Cl)cc(Cl)c1	916882995	DXNMYUROBDWURU-AWEZNQCLSA-N	415.248	5.269	30	20	HKED	
CC(C)(C)c1ccc(OCCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1	916904947	GICWICOLBDACBL-SFHVURJKSA-N	412.917	5.144	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	917119837	YADMZZRDHDAJPU-UZUQRXQVSA-N	402.519	5.470	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCC1)C(F)(F)F	1790225653	IIDBMVUHQVHTIY-UHFFFAOYSA-N	422.834	5.206	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc[nH]c4c3)CCC2)cc1	1791298824	WZVCDTQSMYJCCB-UHFFFAOYSA-N	423.463	5.127	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1	1791587782	LTWMVTMXHLILCH-BUHFOSPRSA-N	400.478	5.156	30	20	HKED	
Cc1cc(C)cc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)o2)c1	10994801	MPRTUKWBEIUZTK-UHFFFAOYSA-N	420.538	5.009	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1cccc2ccccc12	11125716	KWXFGXTVGGKDSC-UHFFFAOYSA-O	411.550	5.741	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)c(C)c2)c1	11162161	GBRZNDQWUQWDRV-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C(C)(C)C#N)cc4)cc3)o2)c1	25440163	TVJLQNHIPLCOPA-UHFFFAOYSA-N	422.488	5.766	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C	36023111	ODEOIDMZBMKKPY-CPOQMQJTSA-N	405.523	5.098	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	43171475	PXQNTQVFHVANIM-UHFFFAOYSA-N	404.558	5.155	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)[C@H](C)c1ccc(C#N)cc1	45500909	RTSGPRXYDREBQQ-OAHLLOKOSA-N	409.436	5.034	30	20	HKED	
N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C(F)(F)F)cn1	47371829	GLQCYFYWJSDFNF-IBGZPJMESA-N	419.406	5.593	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)/C(O)=N/c1nnc(-c2ccsc2)s1	52495794	GSPNRRPHXIAJIW-JTQLQIEISA-N	401.542	5.115	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)N[C@H](C)c1cccc2ccccc12	56199492	HYXQMNZOFQJCGU-MOPGFXCFSA-N	401.510	5.200	30	20	HKED	
COc1ccc2oc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c(C)c2c1	60477718	KMGDODQDRCTNIB-QGZVFWFLSA-N	422.893	6.017	30	20	HKED	
N#C[C@H](C(=O)c1occc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	64715085	FGINNDWQEJBDSL-OAHLLOKOSA-N	406.413	5.838	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1C#N	110156273	DTZKUMOJWMOTCT-UHFFFAOYSA-N	413.502	5.036	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1	195556924	COYSGXWBZFEHKQ-KRWDZBQOSA-N	424.909	5.044	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	237510068	FSBISDIRGYMGOF-BVZFJXPGSA-N	402.563	5.797	30	20	HKED	
N#Cc1cc(N[C@H](Cc2ccccn2)c2ccc(Br)cc2)ccc1[N+](=O)[O-]	302680324	OQDFZSAMQQZYKA-LJQANCHMSA-N	423.270	5.020	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C1(C#N)CCCCC1	302948248	BNMQDPUIQMETCU-UHFFFAOYSA-N	412.555	5.158	30	20	HKED	
CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(C[C@@H]1CO1)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	407986735	DVVLSHWEHUZOIF-YRFVQMONSA-N	414.567	6.533	30	20	HKED	
CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	426179402	SOYBXDPSBWZIEI-KRWDZBQOSA-N	401.466	5.484	30	20	HKED	
Cc1c(-c2nc(Cc3coc(-c4cccs4)n3)no2)sc2ccc(C#N)cc12	426445614	NOUYODJBIBCABH-UHFFFAOYSA-N	404.476	5.439	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cnccc2-c2ccccc2)c1	428437634	FJFWIYQLZQDEPM-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1	431769200	BESNARJSXYKUEM-HNAYVOBHSA-N	400.320	5.244	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1	431811785	KFOMOXLAKIAASO-QHCPKHFHSA-N	418.541	5.050	30	20	HKED	
N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	436709913	XMHKWPOTFNZQQE-QGZVFWFLSA-N	413.502	5.380	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1F	437483813	SLJNHQKJWWECJR-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1c[nH]c2ccc(Cl)cc12	438042383	FUJWAGPDCIYRMU-CQSZACIVSA-N	412.946	5.437	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1F	438661702	UDQIDFGYOQTQQQ-FQEVSTJZSA-N	416.456	5.208	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1F	438666889	JBXQTXMGSMTHLC-QGZVFWFLSA-N	419.431	5.650	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(C(F)(F)F)cc1	441566044	MHOXAVKCGFSAPA-HXUWFJFHSA-N	416.443	5.052	30	20	HKED	
CCOc1c(F)cccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	442678490	DPUUGLJPWFDSIG-OAHLLOKOSA-N	400.862	5.491	30	20	HKED	
N#C[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cc1	446053326	LKDLTKXGPVJVLR-GFCCVEGCSA-N	401.702	5.052	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)s1	463612317	MKDWIWXUWCZTOB-AWEZNQCLSA-N	423.494	5.165	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4ccc(F)cc4F)n3)n2)cc1	464517300	KDMIGLGWKOKRRY-INIZCTEOSA-N	420.444	5.073	30	20	HKED	
COc1ccc(N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1F	466906192	ZTMHXKAZQNYZFW-UHFFFAOYSA-N	410.832	5.428	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc3c[nH]nc3c2)cc1Cl	474902485	VHRZEDQVJOXSSP-HXUWFJFHSA-N	400.869	5.053	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1	476080826	PUCLNUISPYDBEV-UHFFFAOYSA-N	419.550	5.429	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COC/C=C\c1ccccc1	477082422	AUVNQFWHZJGZMW-YWEYNIOJSA-N	420.456	5.380	30	20	HKED	
C=CCn1c(SCc2nc([C@H](C)SCC)no2)nnc1-c1cccc(Cl)c1	481386162	HCKZVDRYMQBXMG-LBPRGKRZSA-N	421.979	5.274	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482406124	ZUHWIXGSTMIVPQ-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3)s2)cc1	483853109	NKCSXECPDSZFAO-NRFANRHFSA-N	420.513	5.504	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(-c4ccsc4)s3)s2)cc1	486669655	HBTRWWRJFCXZPC-UHFFFAOYSA-N	408.533	5.043	30	20	HKED	
CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1	487762736	TYSTXOLDCYMCMX-UHFFFAOYSA-N	418.537	5.697	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	497160993	KQGSZSNNONBOPY-LEWJYISDSA-N	420.513	5.177	30	20	HKED	
COc1cc(C(=O)N(CC#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1	497896661	UVIRRCQTLRZVMT-UHFFFAOYSA-N	406.869	5.098	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12	502189014	UDLUVTGJZGOQJU-MRXNPFEDSA-N	412.917	5.427	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c1C	503335152	HYNVRTVHOGDBIS-UHFFFAOYSA-N	416.525	5.318	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(N2CCc3ccccc32)CC1	505327182	ZXVQQSAYZJCMCU-SFHVURJKSA-N	420.582	5.140	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1	505825419	JLVCALCTGSNBIV-NRFANRHFSA-N	401.510	5.343	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1	508799302	DALHKGSEENSSAM-UHFFFAOYSA-N	402.441	5.591	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(C)(COC)CC1	508839472	FUVSJMIXHJKZDT-LJQANCHMSA-N	420.557	5.010	30	20	HKED	
CN(Cc1cc(Br)cs1)C(=O)c1ccccc1-c1ccccc1C#N	513231270	UKWDOIBWAWZRCK-UHFFFAOYSA-N	411.324	5.321	30	20	HKED	
CCOc1cc(Br)c(F)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1	514978392	UBCFPXRZMDPWQH-UHFFFAOYSA-N	405.267	5.040	30	20	HKED	
CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	515018395	CXQIVAHFUFCRJZ-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc2ncsc2c1	518264210	HQRCSGMUAMDAMZ-AWEZNQCLSA-N	415.478	5.238	30	20	HKED	
CC(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12	518869749	IDSMXTACNGDGHE-ZDUSSCGKSA-N	424.432	5.238	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccsc3)c3ccccc3)cc2)nc1	521957056	NQLUWJGOHKVFSX-UHFFFAOYSA-N	411.486	5.654	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCO[C@H]1CCCC[C@H]1C	524438337	AHXXQRHHZNFICX-KOSHJBKYSA-N	421.541	5.163	30	20	HKED	
COc1cccc(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	525135233	UYWWLHGYFSBFAR-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
Cc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)ccc1C#N	525336526	ROPDSTQPCWDYHU-UHFFFAOYSA-N	419.350	5.187	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)no1	525558647	ASPXSGQBFBTCCE-UHFFFAOYSA-N	402.498	5.379	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C1CC1	533138526	JIFPOHXUUPYHEU-GFCCVEGCSA-N	422.382	5.188	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)cc1	534788839	CBKKBNJUEQHZNR-UHFFFAOYSA-N	406.873	5.366	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C1CC1	534966399	REMDSULMZPNLQV-LBPRGKRZSA-N	421.423	5.188	30	20	HKED	
CC(C)C[C@](C)(C#N)NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	535324112	DOMVURWWFHFWAV-VBKZILBWSA-N	405.951	5.061	30	20	HKED	
C=C[C@H](CC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	535441730	UPFQUCGKWBLSSM-GOSISDBHSA-N	418.364	5.861	30	20	HKED	
Cc1ccc(NC(=O)C[C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c(Cl)c1	537985026	QAXLYTWWTNUIPG-HNNXBMFYSA-N	408.851	5.026	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](COCc2ccccc2)C1	538659454	HKSRAPHZLOGVKQ-OAQYLSRUSA-N	412.489	5.029	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(C#N)s1	539525646	COMZCFPRBLLWIR-NSHDSACASA-N	418.385	5.665	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)cc1	540127712	IGWOJJDXLFARDB-CYBMUJFWSA-N	418.324	5.060	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1	541638046	FXFHGXJPZNFETQ-PXNSSMCTSA-N	423.406	5.059	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(C(F)F)c2Cl)c1	544472291	NPZVVDUUTHNVFB-UHFFFAOYSA-N	402.784	5.574	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1)[C@@H]1C[C@H]1C	554661017	XGTZNOCQMXPXJM-CRICUBBOSA-N	424.504	5.315	30	20	HKED	
N#Cc1cc(Cl)cc(Br)c1N1CCC2(CC1)OCCc1ccsc12	557646977	KILXERYFENBAMH-UHFFFAOYSA-N	423.763	5.104	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(F)ccc1Br	557727943	MTKLVWKFBARXFR-LBPRGKRZSA-N	422.323	5.304	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	558850254	BSDGOXWABFEIOW-UHFFFAOYSA-N	408.505	5.174	30	20	HKED	
CCOc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(C)c1	573033004	MSOWIADMXKVDNH-UHFFFAOYSA-N	411.933	5.164	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ccccc3)c(C)n2)cc1	581161304	STPDNWHGXONOQP-UHFFFAOYSA-N	401.470	5.009	30	20	HKED	
C=CCOc1cccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1	586780717	GAGROEDYVIQFSW-UHFFFAOYSA-N	409.461	5.142	30	20	HKED	
N#Cc1cc(Cl)cc(Br)c1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	587989107	JDVOPNNYVPSZAG-RKDXNWHRSA-N	421.566	5.151	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)C[C@@H](c3cccs3)n3cccc3)cc2)ccn1	589543569	VIMLRURHVCTRDF-NRFANRHFSA-N	414.490	5.227	30	20	HKED	
CCOC(=O)c1ccc(C#N)c(SCc2csc(-c3ccc(CC)cc3)n2)n1	591615425	IOJUHUSZQDUDCN-UHFFFAOYSA-N	409.536	5.108	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1	602756468	SRGIEERQNWSNLY-NSHDSACASA-N	413.593	5.419	30	20	HKED	
Cc1sc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(C#N)c1C	603445395	MTAFUXXLOZTVPT-UHFFFAOYSA-N	402.475	5.814	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1	603465426	XCZCRMSYSBTVDR-UHFFFAOYSA-N	412.493	5.398	30	20	HKED	
CC(C)CN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccc(C#N)cc1	603529164	WANFXDQLKLFKHQ-UHFFFAOYSA-N	401.514	5.064	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSC)cc1	604347183	MSHQGVVRKPEZDV-UHFFFAOYSA-N	420.534	5.362	30	20	HKED	
CCCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	604499701	JTTMLAVKQWIRQC-UHFFFAOYSA-N	404.445	5.329	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1	609081330	KUMZBBJYTILZQO-LJQANCHMSA-N	415.440	5.317	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)n1	609126607	PEAUFDCPAURDES-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	609298889	PDSAGMQSMLTXKQ-UHFFFAOYSA-N	402.450	5.399	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1	609376451	AHWRBWRDJPHJAJ-WZONZLPQSA-N	418.587	6.410	30	20	HKED	
CCOc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609381661	FTYLKCCVBGBECT-UHFFFAOYSA-N	424.444	5.127	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N(C)C	609435352	IQHJJCXUCUJRNV-KXBFYZLASA-N	416.978	5.159	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)s1	609542013	APOJKRNIGCCYIG-UHFFFAOYSA-N	420.918	5.116	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc1C	609665518	SKKRXFIJOGQSBJ-NFBKMPQASA-N	412.537	5.099	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1Br	610240650	JJNHYVFWBBYGHG-ZOBUZTSGSA-N	424.125	5.240	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H](C)c3cccc(C#N)c3)s2)cc1	610351083	MNQULMBXEJZGDG-NVXWUHKLSA-N	404.539	5.420	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1	610356257	MYXIZDJKKJFWQS-CJAUYULYSA-N	411.505	5.033	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccc(C#N)c1	610364619	SERWKPKATKOOQL-HNNXBMFYSA-N	401.853	5.367	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(F)ccc2s1)c1nc2cc(C(F)(F)F)ccc2s1	613404414	QPDMXOBHFBTNDT-GFCCVEGCSA-N	420.412	6.159	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC(F)F	613407501	VQKVWROGRMLEBO-NSHDSACASA-N	408.813	5.050	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[C@H]1C(F)(F)F	616761771	ALCPHUFLNTYWQH-QGZVFWFLSA-N	418.419	5.188	30	20	HKED	
COc1cc(C[S@@](=O)[C@H]2CCc3ccccc32)ccc1OCc1cccc(C#N)c1	618625127	ZAOXIPXHBALTKM-SETSBSEESA-N	417.530	5.082	30	20	HKED	
CC(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12	642281911	RAACCHRCOOUOHD-INIZCTEOSA-N	422.897	5.613	30	20	HKED	
Cc1ccc(C)c(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)c1	726801682	KHHMRBSGCPKEQV-XSFVSMFZSA-N	408.548	5.392	30	20	HKED	
C#CC[C@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccccn1	727772987	MGWNRWDDICOCMD-KRWDZBQOSA-N	403.290	5.433	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1cccc(Cl)c1C	727978812	MUJXTCICEKDJRA-UHFFFAOYSA-N	421.953	6.216	30	20	HKED	
Cc1ccc(Sc2ccc(CNCc3ccc(OCC#N)cc3)cc2[N+](=O)[O-])cc1	729685254	ADUFZRITJITEGN-UHFFFAOYSA-N	419.506	5.247	30	20	HKED	
N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc2cc(F)ccc2s1	730416841	IXDVCOPMXILSNF-AWEZNQCLSA-N	409.417	5.039	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1Br)c1nc2cc(F)ccc2s1	730417126	LBHMPWPJOMOXRL-ZDUSSCGKSA-N	403.276	5.007	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)Nc1ccccc1Oc1ccccc1	730954557	CPKLRJWKKLBNDR-QGZVFWFLSA-N	419.575	6.540	30	20	HKED	
CCc1cc2oc(=O)cc(CNc3ccccc3SC[C@H](C)C#N)c2cc1Cl	731664572	NHSWYOUMFJJBGL-CQSZACIVSA-N	412.942	5.873	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(F)(F)F)c1	733081410	XSDOHVOOTDKEIN-BQYQJAHWSA-N	404.369	5.633	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)cc1	741389418	BKSCADVLAXMFHA-RPBOFIJWSA-N	421.504	5.102	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)Nc2cc(OC)ccc2Cl)c1	742996192	ZWHOCFOJPPKOLC-UHFFFAOYSA-N	406.938	5.734	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2ccccc2C(F)(F)F)cc1	744030175	ZYHMRJUDGUNFSC-BEFAXECRSA-N	416.443	5.499	30	20	HKED	
C[C@@H]1CC[C@H](CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)O1	744034317	AIAUTCCMOSQSPN-KYOSRNDESA-N	409.338	5.641	30	20	HKED	
COc1cc(Br)c(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc1O	745990298	QHFJSLZVEVECIG-SREVYHEPSA-N	410.267	5.121	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	751015551	WMBQSRYIZHZBHT-UHFFFAOYSA-N	405.479	5.177	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(/C)c3cccc(OC)c3)n2)cc1	751830849	ILUOAMORHUFKEK-UMDONVSZSA-N	404.491	5.107	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1	752674105	FEQYBXVAEALIRB-LEWJYISDSA-N	420.513	5.337	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1C#N	752766046	OWDADNUTGREEIM-UHFFFAOYSA-N	409.298	5.242	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)s1)c1ccncc1	753187960	DMBXZPMELUNYJU-HUUCEWRRSA-N	406.349	5.070	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCc2sc(Br)cc21	754685799	IUCXXAIAPLLCIV-XFFZJAGNSA-N	403.326	5.242	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1	757633805	FAKLCEYWGLBVRL-UHFFFAOYSA-N	412.880	5.151	30	20	HKED	
C=CCN(C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)C(C)C	764375996	JOPKMIVMVWUGDR-ZDUSSCGKSA-N	408.365	5.240	30	20	HKED	
Cn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1=S	765046970	IPZZXCVBKVPRMU-VQTJNVASSA-N	423.973	5.001	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(OCc2ccccc2F)cc1	767882764	LCYGOLRPWXLIHP-KRWDZBQOSA-N	419.456	5.017	30	20	HKED	
Cc1ccccc1-c1noc([C@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)n1	769543464	KBBYWGSQJOJFCK-KRWDZBQOSA-N	414.465	5.222	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)O[C@H](c3ccccc3)c3nccs3)o2)cc1	770192447	PFQAGVMZNMIRFJ-OAQYLSRUSA-N	416.458	5.133	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)[nH]c12	770541826	GZQIRHGGJGMKGX-BUYRESAOSA-N	403.791	5.347	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1	772645517	ODGZAPBWBKCPOE-JOCHJYFZSA-N	424.529	5.088	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)Cc2ccccc2CC#N)c(C(F)(F)F)c1	776866861	ACNFVCKQHSLXEY-CQSZACIVSA-N	406.473	5.843	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3csc(-c4ccccn4)n3)cc2F)c1	779595313	HKHGAXGSSNMNMF-UHFFFAOYSA-N	416.481	5.407	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1	780678191	SGUKTYCDUOOSJR-KSFYIVLOSA-N	405.885	5.542	30	20	HKED	
Cc1cc(NN=Cc2c(C(F)(F)F)nn(C)c2Cl)nc2ccc(Cl)cc12	781585331	KKBCIVDCSIDLRI-UHFFFAOYSA-N	402.207	5.048	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	786307321	LZYAJHXCLZLUIV-MXWKQRLJSA-N	413.713	5.159	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1	787045323	IZEWRBQADIKPSW-FCHUYYIVSA-N	410.473	5.105	30	20	HKED	
Cc1ccc(-c2csc3ncnc(NN=C4CCCc5cc(C#N)cnc54)c23)cc1	788423211	TZWKUFCOYXQJMI-UHFFFAOYSA-N	410.506	5.086	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1CN(C)c1ccccc1	788785261	DSCKZZGNBSGJEE-SFHVURJKSA-N	400.482	5.258	30	20	HKED	
CCOc1c(Cl)cccc1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	791776876	IHUMJXBVNFAQFS-ZDUSSCGKSA-N	405.306	5.421	30	20	HKED	
COc1cccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1F	796800154	VKANJHHZQNGTPQ-INIZCTEOSA-N	414.889	5.420	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)cc1Cl	797108666	WBFCCJSCBGBHIT-BQYQJAHWSA-N	403.862	5.516	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)O[C@H](C)C2	797573334	QUNPVYAJINGFFO-KCMWZYNZSA-N	424.566	5.143	30	20	HKED	
COc1ccc([C@@H](CNC(=O)/C=C\c2ccccc2C#N)c2c[nH]c3ccccc23)cc1	799874654	VBUKXRODIYAJHE-JBDIQEJZSA-N	421.500	5.010	30	20	HKED	
COCCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	799905571	XAPKCDXURUKSFJ-LRNAHUNVSA-N	418.006	5.072	30	20	HKED	
COc1ccc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)cc1OCc1ccccc1	806563401	WCPWXRPBNQEILH-QUYTYNJFSA-N	414.457	5.112	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1	812744521	HZENCDPIJKRDNV-MSOLQXFVSA-N	413.949	5.149	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1cc(C(F)(F)F)ccn1	813220181	FPBWBKFRYFPVIC-LBPRGKRZSA-N	409.820	5.173	30	20	HKED	
CC(=NNc1nnc(-c2ccccc2)s1)c1sc(Cc2ccccc2)nc1C	814946370	HLLONAPUPSBYHM-UHFFFAOYSA-N	405.552	5.397	30	20	HKED	
Cc1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)cc1	912803572	HXUWJJSUNINHOW-UHFFFAOYSA-N	408.914	5.674	30	20	HKED	
CC(C)c1ccc(Nc2nn(CN(C)Cc3ccc(C#N)cc3)c(=S)s2)cc1	914783309	SYOBXXXWGZONRN-UHFFFAOYSA-N	409.584	5.502	30	20	HKED	
Cc1c(Cl)cccc1NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1	915050786	CLTCUUHZOJDUFP-UHFFFAOYSA-N	401.901	5.401	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(F)(F)F)cc2)cc1	915354168	WLOFTXCCSXHCKP-OAQYLSRUSA-N	409.411	5.683	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Cl)cc1Cl	916310270	WBBQSDZWLUGTFB-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
CC(C)Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c2ccccc21	916918361	LSCVTJRZRLYPIO-OAQYLSRUSA-N	409.489	5.412	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2CSC)cc1	916947617	OTACYDTYIITQFX-BEFAXECRSA-N	420.534	5.770	30	20	HKED	
COc1ccc(CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	917354582	WHNLBPGECNBLBQ-UHFFFAOYSA-N	409.301	5.144	30	20	HKED	
COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1ccc(OCc2nccn2C)cc1	921270716	YPKAIQFLGUVLPI-YVMONPNESA-N	417.292	5.211	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](CC)c4ccccc4)cc3)CCC2)C1	1787642975	MAHMTLAISOIAAA-QHCPKHFHSA-N	402.538	5.281	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3SCC)cc2)CCC1	1790210220	JKLOUVZCDSLRCR-QGZVFWFLSA-N	423.582	5.154	30	20	HKED	
O=C(/C(=C(\S)Nc1ccccc1)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl	10170259	ASVLNEXZBZWABF-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2Cl)c1	10827210	BQYNEMXDSRLPID-UHFFFAOYSA-O	421.973	5.476	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2c(C)cccc2C)cc1	11153231	ZWAGGGITTIQSGZ-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cc(Cl)ccc1OC	21603101	HRXTUZDABWAEIF-UHFFFAOYSA-N	419.909	5.137	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCC(=O)c1cc(C)n(Cc2cccs2)c1C	25217382	FTGWQIQGPUZEMZ-UHFFFAOYSA-N	414.914	5.010	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1	62407299	PDOCEQHHLYWNJB-UHFFFAOYSA-N	405.542	5.012	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCCOCc1ccccc1	64995843	YQTPTRQARGHRJP-UHFFFAOYSA-N	416.546	5.436	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	72090796	DGVVBJQVRIEKBX-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
CCOc1ccc(N(C(=O)Cc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1	116450688	BRXPPVXQKMYVGK-UHFFFAOYSA-N	413.502	5.474	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2)cc1	195704311	VIZLRXSQFBPESM-UHFFFAOYSA-N	420.472	5.666	30	20	HKED	
N#CC1CCN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1	195745657	UZEHKZKJXLWVLN-UHFFFAOYSA-N	420.310	5.040	30	20	HKED	
N#CCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1	255941462	NMGYPWHSBRDFEH-UHFFFAOYSA-N	424.529	5.393	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccoc2)C2CCCCC2)o1	303866850	MPVUSAPEMZFGHP-UHFFFAOYSA-N	404.466	5.298	30	20	HKED	
C[C@H]1CCCCN1Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	410338186	RSDWUEAZXQUIDR-IBGZPJMESA-N	404.558	5.184	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	429675592	YINTVYZHCRDBIW-UHFFFAOYSA-N	403.448	5.842	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430626499	LHJNCYZLVCAYSR-LBPRGKRZSA-N	413.524	5.146	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H](C#N)c1ccccc1F	430812679	XFVLOKKAXGEROL-HNNXBMFYSA-N	404.228	5.091	30	20	HKED	
C/C(=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1)c1nc(C)c(C#N)c(=O)[nH]1	435338424	DHBGNWOFKFYKIU-PKNBQFBNSA-N	401.413	5.258	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Br)cc1Cl	436147423	DAKQAZXZNVWDLF-QAPCUYQASA-N	418.722	5.406	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)c4ccccc43)cc2)nc1	436301006	LPBJPCXINPQJNX-XMMPIXPASA-N	417.468	5.538	30	20	HKED	
O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	439955560	DZYGCMPWQBMDHM-UHFFFAOYSA-N	413.120	5.481	30	20	HKED	
COc1cc(Cl)ccc1-c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1	445674109	SJROERKUKBCGJM-UHFFFAOYSA-N	404.813	5.125	30	20	HKED	
C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1	460377789	ZPQXKDVLAOEWCH-IBGZPJMESA-N	406.578	5.292	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3SCCc4sccc43)cc2F)c1	463476734	SADCOKJRAQSSFI-OAQYLSRUSA-N	424.522	5.307	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N[C@H](C#N)C(C)(C)C)c2nc3ccccc3s2)c1	464706265	BSUULXUUQTWUOG-GUOCTKQSSA-N	419.550	5.290	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	468525263	UUBYXCJTBJPBCX-GHMZBOCLSA-N	407.276	5.152	30	20	HKED	
CCCCOc1cc(OC)ccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	469682834	BVHGNRODGUENBQ-INIZCTEOSA-N	413.424	5.109	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1	469931561	WWNPDFAYEQSPQY-UHFFFAOYSA-N	418.497	5.196	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	470627373	PSDLZQDPRPPTEB-PXAZEXFGSA-N	408.807	5.417	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(C(F)F)nn(C)c2s1	470890341	IRUVDMRFIFTUIY-JTQLQIEISA-N	406.483	5.219	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n1	474428467	BDRKPHCTZPLOOG-MRXNPFEDSA-N	402.479	5.202	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	476522508	BTOJATZDWBDNMC-SFHVURJKSA-N	416.352	5.120	30	20	HKED	
Cc1nc([C@@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)oc1-c1ccc(Cl)cc1	477154802	ZCMNNVNNBGSFIQ-GOSISDBHSA-N	420.944	5.054	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(C2CCCC2)n1	477344487	AUXGDCNNXUXHRV-MRXNPFEDSA-N	414.600	5.264	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)o1	482482990	IBMMESKLDDHCCV-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	482644550	SYJADEVURCJTAD-UHFFFAOYSA-N	418.202	5.099	30	20	HKED	
CCc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1C	485345168	SHLNNOXWZSXYHB-YKSBVNFPSA-N	413.525	5.047	30	20	HKED	
CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	485845157	JNABHQWPEPBZGQ-UHFFFAOYSA-N	408.885	5.135	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1	490199113	UAPQYIJCHHIAEO-UHFFFAOYSA-N	421.280	5.024	30	20	HKED	
CCC[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccc(Cl)c(Cl)c1	490491216	GWLXMTOAUSRWHC-INIZCTEOSA-N	424.715	5.115	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F	490780024	DGSKADKJTFEJBS-HXUWFJFHSA-N	414.431	5.265	30	20	HKED	
Cn1c(SCc2cc(C#N)ccc2Br)nnc1-c1ccc(Cl)cc1	491561460	UBEFIFDJVLTNIP-UHFFFAOYSA-N	419.735	5.062	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1NCc1cc(C#N)ccc1Br	492535158	LUCHAJAMIYKXRA-UHFFFAOYSA-N	420.310	5.494	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1csc(-c2ccc(Br)s2)n1	494430859	RHFKOYPWUAKZJR-UHFFFAOYSA-N	412.378	5.036	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)Cc3cc(Cl)ccc3Cl)s2)cc1	498313175	YXIQCUAIISGCGZ-UHFFFAOYSA-N	402.306	5.094	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cnccc3Oc3ccccc3)s2)cc1	503151019	JQOIOJGYDZFIAL-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2ccccn2)cc1Cl	504301738	BTFHIFOKQBMHFK-FQEVSTJZSA-N	419.916	5.014	30	20	HKED	
FC(F)(F)c1csc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)n1	505890713	SKIWJJBGRSOAEV-LLVKDONJSA-N	408.289	5.574	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1	507917789	CPMCFQXPNLBBOU-OAQYLSRUSA-N	414.461	5.161	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCc2ccccc2)nc1)c1nc(-c2ccccc2)cs1	508194195	MPQRMUFNQVHUBB-HXUWFJFHSA-N	411.486	5.274	30	20	HKED	
C[C@H](NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1F	512623565	GBVKAZNYZGKNBK-IBGZPJMESA-N	410.496	5.460	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4nccnc4c3)cc2Cl)cc1	515723546	JPOMVRFJVRMQMV-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	517474116	UWLIDLDCODNIPA-INIZCTEOSA-N	413.543	5.010	30	20	HKED	
CCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc21	518516509	HWYYBOFSXWBMAB-SFHVURJKSA-N	401.491	5.283	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Cl)c1	519064120	ITVJGZDQCGPUIW-INIZCTEOSA-N	405.885	5.752	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccoc3)n2)nnc1-c1ccc(OC)cc1	519415563	PLMQTZHVTIZHRF-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
CN(Cc1ccc(Cl)s1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	521666569	JSGXGVZPILENEC-UHFFFAOYSA-N	400.862	5.477	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	521887237	KYLZSQVJIULAEO-INIZCTEOSA-N	420.296	5.559	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cc2)cc1	521967780	BLYMRTJSRIEMPT-HSZRJFAPSA-N	414.480	5.531	30	20	HKED	
Cc1ccc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC(F)F	522300067	DPNLAWGHGWVDFO-UHFFFAOYSA-N	414.437	5.159	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1	523507555	BHVUXIUSHHWSBE-UHFFFAOYSA-N	415.449	5.484	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1cccs1	523983148	BIBFNIXMAMYHQY-YLJYHZDGSA-N	421.591	6.248	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccc(C(F)(F)F)c1	534361848	AEDSRZRBNFAHEM-IBGZPJMESA-N	415.802	5.415	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C1CC1	535695877	KDUZXAUCFPNBIT-KRWDZBQOSA-N	414.509	5.434	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1	536381661	IIARQLKXEBZEJH-HXUWFJFHSA-N	414.461	5.115	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3Nc3ccccc3)cc2)nc1	539707038	MQLKFEHKBKDXGD-UHFFFAOYSA-N	406.445	5.741	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cc(C(C)(C)C)sc1C#N	540273935	BVINONKVUKDSPC-UHFFFAOYSA-N	403.573	5.524	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	540841826	CIOPZMFVLDWKBH-WOJBJXKFSA-N	401.432	5.055	30	20	HKED	
C=CCC[C@H](NCc1cn(-c2ccncc2)nc1C)c1ccc(C(F)(F)F)cc1	544180266	DSXONNNHBFFDFB-NRFANRHFSA-N	400.448	5.392	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3scnc3C3CCCC3)c2)c1	546064617	MHZMLYMPFUECPM-UHFFFAOYSA-N	416.506	5.177	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	546086504	CXAPPJCQVAYUPN-CABCVRRESA-N	400.931	5.439	30	20	HKED	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	550708093	VNNTVCBIALKWBD-KRWDZBQOSA-N	408.461	5.111	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(CCCc3ccccc3)c2)CC1	554562524	AFXVMRPUIYYQPK-UHFFFAOYSA-N	424.548	5.346	30	20	HKED	
N#Cc1c(NC(=O)COc2ccsc2Cl)sc2c1-c1ccccc1CC2	556376295	PSBFNDNXUCDZRA-UHFFFAOYSA-N	400.912	5.118	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(CC(F)(F)F)cs3)cc2)cc1	558062002	ROLJCGVUOLSSHJ-UHFFFAOYSA-N	417.412	5.359	30	20	HKED	
N#Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)ccc1Cl	567324133	AAUSSNIVTXBVIA-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	571385380	RWMUHCBSAFJVPI-ZDUSSCGKSA-N	413.268	5.112	30	20	HKED	
N#CC1CCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1	573763328	KHTUZPJQDANYMS-UHFFFAOYSA-N	408.420	5.371	30	20	HKED	
CN(Cc1ccccc1N(C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	574313408	LNBIUYKDEUENIQ-UHFFFAOYSA-N	400.482	5.080	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C	592615439	FXPOLTXTFMETAM-UHFFFAOYSA-N	415.581	5.047	30	20	HKED	
Cc1cccc2sc(C(=O)NCCSCc3ccccc3C#N)c(Cl)c12	601907893	AGFUOTYSIFEDQA-UHFFFAOYSA-N	400.956	5.398	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	603754918	JODRKZXAEZARGY-RBUKOAKNSA-N	418.434	5.908	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccccc3Br)c2)c1	604497411	QPUSGXVYINRXMF-UHFFFAOYSA-N	407.311	5.190	30	20	HKED	
N#CCc1cccc(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)c1	608850263	LSZYFOHKFNJVBD-UHFFFAOYSA-N	407.926	5.583	30	20	HKED	
Cc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1F	609075771	BYBHKQJIZFAWMY-UHFFFAOYSA-N	403.457	5.215	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc2ccccc21	609164807	WQSDIRZIPYAABK-NRFANRHFSA-N	424.891	5.726	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)c2)cc1	609177242	NAUOFBYNQKASIE-UHFFFAOYSA-N	424.460	5.362	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)c2ccccc2Sc2ccccc2C#N)n1	609190236	LUFVKQNARCLAMW-UHFFFAOYSA-N	421.591	5.436	30	20	HKED	
CC(C)OCc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	609298059	ATAVILVLZWGEBM-UHFFFAOYSA-N	404.441	5.667	30	20	HKED	
Cc1cc(C)cc(OCCSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	609388259	ZJXNJOSIXGIOMI-GOSISDBHSA-N	414.596	5.448	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl	609639249	TWPSUUBLDXVNIF-YLJYHZDGSA-N	419.916	5.130	30	20	HKED	
CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	610171581	QFFCJGJMUJXFBB-UHFFFAOYSA-N	417.534	5.315	30	20	HKED	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	610338142	XYHNKZXGRZOYGI-LJQANCHMSA-N	405.542	5.007	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1	611357613	OXRDEIQBJFZIBI-MOPGFXCFSA-N	405.498	5.021	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc(F)ccc2N2CCCCC2)c2ccccc21	618202244	LBMWZFYACFSRQE-UHFFFAOYSA-N	404.489	5.327	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	669964305	QMAVBYLZRXHGPW-KRWDZBQOSA-N	413.477	5.326	30	20	HKED	
CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	673935774	SCIXLPACKRAFBO-SFTQSGBHSA-N	415.349	5.009	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cccc(OCCC(=O)O)c1	727267516	JRFQBXSZHOTGJQ-BJMVGYQFSA-N	411.454	5.007	30	20	HKED	
CC(=NNc1c(F)c(F)nc(F)c1F)c1sc(-c2ccc(Cl)cc2)nc1C	727648945	XPYHUVBLEMCCMW-UHFFFAOYSA-N	414.815	5.559	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)c(Cl)[nH]1	728028992	SMERZBFYCHGWPX-UHFFFAOYSA-N	400.265	5.333	30	20	HKED	
CNC(=O)c1ccc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1	728438843	QTNDHNJEQGSJKD-FOWTUZBSSA-N	408.910	5.036	30	20	HKED	
Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1	728440565	YQSPXFZPINEHQL-SREVYHEPSA-N	408.266	5.260	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=S)Nc3ccc4c(c3)OCCCO4)c2)cc1	729158055	JFXNNSCHPCZWKP-UHFFFAOYSA-N	417.490	5.321	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	729888561	IFXLXAWLHCMZRU-NSHDSACASA-N	423.708	5.823	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1	731332545	OEOVNMNOENZUTG-HNNXBMFYSA-N	414.621	6.202	30	20	HKED	
Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	732377880	YLBBPUSOHYPJOF-SFHVURJKSA-N	414.461	5.037	30	20	HKED	
CC[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	732901204	NAPSLFJDJCNALU-GOEBONIOSA-N	402.441	5.760	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1COc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1	733680082	VCZKMXORJDZNGG-HUUCEWRRSA-N	415.301	5.469	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c1	733805284	AAXRLKIGTLBFEQ-DNVCBOLYSA-N	419.447	5.289	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c1	733843223	LSMBYMSMYCWSDV-LJQANCHMSA-N	423.513	5.019	30	20	HKED	
Cc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	734963590	JZQRVYHQCXECNE-UGKGYDQZSA-N	412.489	5.629	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCCC[C@H]1c1nc(-c2ccccc2)no1	735309677	JOWMZWINVIJXPA-IBGZPJMESA-N	408.889	5.020	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3sccc3-c3ccc(F)cc3)cn2)c1	743761525	UTQHSTSVIUUDOV-UHFFFAOYSA-N	415.449	5.865	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)OCc1ccc(-c2ccccc2C#N)cc1	745486914	BNLULUXWIBAXOW-QGZVFWFLSA-N	401.437	5.317	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc2cc(O)ccc2c1	748787959	HRQMWKFSCXDRCU-UHFFFAOYSA-N	423.398	5.252	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)ccc1OC	749132682	UUTLYLQVGVPJRP-DHLKQENFSA-N	404.485	5.394	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)cs2)cc1	749338664	FUTRBSDASWVANZ-KRWDZBQOSA-N	424.497	5.276	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1ccc(-c2ccccc2F)o1	749360724	DNNIOZOBZFERJH-UHFFFAOYSA-N	413.452	5.154	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)cc1C#N	752305806	QAIUAXDSJDMDQS-NRFANRHFSA-N	406.486	5.113	30	20	HKED	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	754875823	UJASERSNBFSMMU-GHJWDPDVSA-N	421.950	5.065	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c1	755164072	AGMMDKVOOCDGDP-UPVQGACJSA-N	417.484	5.095	30	20	HKED	
C#CC[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1	757622751	LLBCBIVEILECID-SFHVURJKSA-N	408.910	5.148	30	20	HKED	
C[C@H](C[C@@H](O)c1ccco1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	759498187	YQCVJSKQRCDMIX-QFIXIFRTSA-N	423.900	5.222	30	20	HKED	
N#C[C@@H](C(=O)C1(c2c(Cl)cccc2Cl)CC1)c1nc2ccccc2n1C(F)F	759537319	CXOFGOBXGGPSPG-NSHDSACASA-N	420.246	5.646	30	20	HKED	
O=C(/C=C/c1nc2ccccc2s1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764752667	RKCUUIWAAHIBOC-AATRIKPKSA-N	419.293	5.024	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2nc3c(s2)CCCC3)cc1	766266327	KTKKNMPIUCWSFX-FQEVSTJZSA-N	416.550	5.042	30	20	HKED	
Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1[C@H]1CCO[C@@H](C2CC2)C1	771901477	BDGCRURVVLKSNY-GHTZIAJQSA-N	420.538	5.056	30	20	HKED	
CC[C@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1cc(F)cc(Br)c1	776163686	CLLCDTSKFKROQI-QUCCMNQESA-N	405.311	5.510	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)cc1	776514805	FYGYLYOZUYRKRX-FQEVSTJZSA-N	402.450	5.040	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3ccccc3SCCC#N)ccc21	776836296	OPIFVUKIYBUPHE-UHFFFAOYSA-N	423.538	5.242	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCO1	781770008	JXCPMMKLMPHCGG-QEORTHHSSA-N	410.461	5.333	30	20	HKED	
COc1cc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)ccc1Cl	788468008	NQKBLOIOBBHENJ-UHFFFAOYSA-N	403.873	5.042	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1	789458134	YRBUSVZVRCOYIM-IBGZPJMESA-N	422.447	5.292	30	20	HKED	
N#C[C@H](C(=O)CCc1cnc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1	796669115	CDVPCMMUUVEBDA-MRXNPFEDSA-N	419.456	5.446	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(NC(=O)OC)c1C	798053282	FBWKKJXXXDAQOG-UHFFFAOYSA-N	408.376	5.009	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	799206444	IAQVHJIIGGJEGE-JFIJJZPASA-N	417.553	5.135	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)cc1	800578163	DDMCGGWBMPOFQP-OAQYLSRUSA-N	418.949	5.401	30	20	HKED	
N#C[C@@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	802046049	YSUXUSPJOSPBEC-SWLSCSKDSA-N	411.305	5.337	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Cc3cncc4ccccc34)n2)cc1	805856217	WFZPJNOYRVFRBY-VGSWGCGISA-N	411.530	5.722	30	20	HKED	
N#C[C@H](C(=O)C1CCN(Cc2ccccc2)CC1)c1nc2cc(Cl)ccc2s1	805858395	DNDTWYTXNHVMRM-GOSISDBHSA-N	409.942	5.038	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1	809089492	FGUPZRDLNICFCC-BETUJISGSA-N	409.338	5.533	30	20	HKED	
CCOc1cc(C(=O)N(O)Cc2cccc3ccccc23)cc(OCC)c1OCC	901368384	XUGVUHMTGCKBBL-UHFFFAOYSA-N	409.482	5.068	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)cc1	914046577	QGAARRNXEHYYJR-UHFFFAOYSA-N	420.468	5.104	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	915086507	LGDTWHOLUIWGGM-HXUWFJFHSA-N	413.458	5.717	30	20	HKED	
C=CCN(C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C(C)C	915147730	HPBMLSFIQNUVCC-RGEXLXHISA-N	406.551	5.659	30	20	HKED	
C=CCOc1cccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1	915852384	XAIWNOOFZAPEEB-QJOMJCCJSA-N	416.502	5.100	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=S)N(CCC#N)c1ccc2c(c1)OCCO2	915997045	RDPXOPBGWDZKJR-UHFFFAOYSA-N	423.582	5.822	30	20	HKED	
C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc(C#N)cc2)cc1OCC	916135175	FNJQOKPCPPAYRM-YFHOEESVSA-N	412.283	5.180	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccncc2)ccc1OCCOc1cccc(C)c1	916136358	MIDDCJBSFRNWOZ-CLFYSBASSA-N	403.478	5.143	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	916888243	UIRVYTAKPBTJDL-SUNKGSAMSA-N	420.403	5.017	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc2ccccc2n1C(F)F	917042582	GJTOZWBEVYGPAG-INIZCTEOSA-N	420.419	5.286	30	20	HKED	
Cc1cc(C)n(-c2ccc(CC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1	917046741	NTJAGLJPRRDXBC-SFHVURJKSA-N	420.925	5.171	30	20	HKED	
CC1CCN(c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)CC1	917621487	UBWGJZVYDMXCDG-UHFFFAOYSA-N	415.493	5.219	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccc(C)cc3C)n2)cc1	920140906	CUGJRQCHSLPPEU-GOSISDBHSA-N	408.548	5.404	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1	920298535	DLQGCSHWLKTUOE-UHFFFAOYSA-N	422.872	5.217	30	20	HKED	
CCOc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)ccc1OC(F)F	7165145	JGCFWBMSJZHDFQ-BOPFTXTBSA-N	418.465	5.195	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)cc1	26143546	MZRQVEQPBZQOOL-LLVKDONJSA-N	411.474	5.122	30	20	HKED	
CC(C)c1noc2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc12	32290127	HIEJXWXLCSCXFR-UHFFFAOYSA-N	412.449	5.049	30	20	HKED	
CCCOc1ccc([C@@H](C)NC(=O)N(CCC)Cc2ccc(C#N)cc2)cc1OC	46673496	AHICEQLJVOIJFC-GOSISDBHSA-N	409.530	5.038	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	52931084	FUUCSRUNPFMKPN-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1	53743622	OKISVYWBUUXBHR-JOCHJYFZSA-N	411.534	5.173	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	60626212	GXMUMRVZNZXECQ-UHFFFAOYSA-N	416.506	5.004	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C#N)cc1	65079484	SCEVHBQSSVRQRX-UHFFFAOYSA-N	423.394	5.390	30	20	HKED	
O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccc(F)c(C(F)(F)F)c1	65439326	XBMUDUSVUVAARJ-UHFFFAOYSA-N	424.316	5.245	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1Oc1ccccc1	107768002	LNPUNGZYIVBHRE-UHFFFAOYSA-N	402.450	5.157	30	20	HKED	
CCOc1cc2c(cc1/C=C\C(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@@H](C)C2	221664092	OYZNSTOVBKFGML-ZRNVIFCMSA-N	422.550	5.455	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1	303391067	YBCVCQWABPDXMA-ZIAGYGMSSA-N	422.381	5.677	30	20	HKED	
CCCOc1ccc(Br)cc1CNc1cccc(OCCCC#N)c1	327125932	PMAFZFKHVLOTFM-UHFFFAOYSA-N	403.320	5.533	30	20	HKED	
C[C@H](C1CC1)N(C(=O)c1cccc(SCC#N)c1)c1cccc(C(F)(F)F)c1	429925462	OGFYYVBJUVAAHV-CQSZACIVSA-N	404.457	5.766	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1	430366749	KCHJLSIHDCHCOD-UHFFFAOYSA-N	420.683	5.745	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)c3cccc(SCC#N)c3)cc2)cc1	430726364	DMIJJFPPHFVACL-UHFFFAOYSA-N	418.518	5.536	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](C)c1ccc(Br)cc1	432678279	LUIGXANVNFWVOP-GJZGRUSLSA-N	417.372	5.976	30	20	HKED	
C[C@]12CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C[C@@H]1C2(F)F	432682122	PLIRKYGPHWIFFL-LMNJBCLMSA-N	415.871	5.504	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1	432700230	SSLDLRUDXNFAJB-UHFFFAOYSA-N	416.569	5.008	30	20	HKED	
CN(C)c1ccc(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)c(C(F)(F)F)c1	433218969	IAGVOOADZOTAOB-OAHLLOKOSA-N	423.332	5.178	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](CC(F)(F)F)C1	434155721	VSGJMKQZKOMCIG-SFHVURJKSA-N	417.431	5.252	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1)c1ccccc1	435765382	VPQBLUFBDMWYJN-VWLOTQADSA-N	414.553	5.513	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2cccnc2)cc1	438037873	AKVVNOPLIBDWEE-KRWDZBQOSA-N	402.523	5.322	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1OCC(F)(F)F	438160525	OMHUNLLSHMXSGQ-SJLPKXTDSA-N	421.394	5.070	30	20	HKED	
COc1ccc(Oc2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)cn2)cc1	439388781	PQXOBGSGVBIEPN-NRFANRHFSA-N	402.454	5.049	30	20	HKED	
CC1(C)CC(C)(C)c2cc(NC(=O)C(=O)Nc3ccccc3SCCC#N)ccc21	442242799	UHELOHULMGMNIK-UHFFFAOYSA-N	421.566	5.228	30	20	HKED	
C=CCN(C(=O)[C@@H](C)C(F)(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	443866186	YUBYODZGUSVTBY-SECBINFHSA-N	409.260	5.834	30	20	HKED	
CC(C)(C#N)CCCCN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1	444687915	WYEBVCUNZUHSBA-QGZVFWFLSA-N	417.351	5.356	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2Cl)c1C#N	445569850	AMCBELSGZHGKSE-UHFFFAOYSA-N	403.294	5.025	30	20	HKED	
N#Cc1cc(F)c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	446244612	COJKPEXNPBMIDE-AWEZNQCLSA-N	422.275	5.279	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CO)(Cc2ccccc2)CC1	446269529	OGVSGWZTEMRKPU-UHFFFAOYSA-N	406.570	5.388	30	20	HKED	
C=CCCCNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	448012808	LEGWGNVOJJYCRJ-UHFFFAOYSA-N	409.383	5.185	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1	460376900	QRNBDTASIACWKS-IBGZPJMESA-N	412.921	5.256	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	464936348	BJUMQULPNFOILV-NHCUHLMSSA-N	419.912	5.226	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)cc1	464957183	XFGVPTVHCUDQDD-DQEYMECFSA-N	407.473	5.263	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCCCC[C@@H]1/C=C/c1cccs1	466617907	KMRIBGDFDFVLSB-IENJSVCTSA-N	410.543	5.316	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(SC)cc2)cc1	466840517	HKXWETUOIZYYTD-QGZVFWFLSA-N	409.555	5.105	30	20	HKED	
CC(C)n1c([C@H]2CCCN2C(=O)CSCc2ccc(C#N)cc2)nc2ccccc21	467490209	AWQUXVKLBWEMPT-JOCHJYFZSA-N	418.566	5.086	30	20	HKED	
O=C(c1cccc(-c2c(F)cccc2F)c1)N(CCC(F)(F)F)CC(F)(F)F	468538810	YHMSKJQFXVHQMD-UHFFFAOYSA-N	411.292	5.589	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccn(C2CCCCC2)n1	470877113	FCVYFGCSOFEYIG-UHFFFAOYSA-N	414.509	5.400	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	470884086	VBNLMBUSXDZTNV-AUSIDOKSSA-N	409.489	5.328	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	470907560	FFBPMQHROOENAT-UHFFFAOYSA-N	419.594	6.023	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)CC1	471365086	DPKXRDXUXSHIFF-UHFFFAOYSA-N	405.285	5.338	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)c1ccccc1	474963097	VTAYTVOSDUCIKK-FQEVSTJZSA-N	415.468	5.033	30	20	HKED	
C=CCn1c(SCCC[C@H](C)O)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	475956465	KIICGGAXDAYWIR-ZDUSSCGKSA-N	418.559	5.012	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	481247573	XBJNVRBVZDQSBD-CJNGLKHVSA-N	421.394	5.684	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nccc2ccccc12	483194331	GXJWEXOYPJSHEH-SFHVURJKSA-N	420.440	6.055	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCC(F)(F)F)Cc1ccccc1	484146663	YWUZLBWQWXOYQW-INIZCTEOSA-N	421.488	6.067	30	20	HKED	
N#Cc1ccnc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)c1	486003172	JVDJXVMEERKACN-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
N#CCCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1	487486626	PHYBMWBVGUBKEQ-INIZCTEOSA-N	415.971	5.619	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1	488537687	BFBGRRKMUHXTRH-UHFFFAOYSA-N	413.550	5.855	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O	488689077	VEPPRTJMJYMXDZ-DEOSSOPVSA-N	423.516	5.193	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cl)c3ccncc23)c1	490678697	BWLHTAFKNLDOQV-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1CCC(C)C	495195166	USLWSSBETUIQAB-SFHVURJKSA-N	422.554	5.114	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@@H]1COc2ccccc2O1	497669851	AWZNVLWRKPIAJO-DJJJIMSYSA-N	415.465	5.108	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(OCc3cccc(F)c3)c2)c1	502656662	WRAXURXIEJCJNS-UHFFFAOYSA-N	419.456	5.731	30	20	HKED	
N#CC(CCN1CCC[C@H](c2ncc3n2CCCC3)C1)(c1ccccc1)c1ccccc1	503397234	ZSKGGEZORRDDDL-QHCPKHFHSA-N	424.592	5.299	30	20	HKED	
CCOc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513956071	SCXCNZMLCPPELH-UHFFFAOYSA-N	403.457	5.330	30	20	HKED	
N#Cc1ccnc(N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1Cl	516202138	ODUNBMSGFJUNEZ-UHFFFAOYSA-N	402.807	5.227	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1SC[C@H](C)C#N	517456506	RTCPBAZUVVZPKQ-KGLIPLIRSA-N	408.445	5.363	30	20	HKED	
C=C1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1	518694273	NHDXPEAZIQXWDE-JXAWBTAJSA-N	419.506	5.314	30	20	HKED	
N#Cc1ccsc1NC(=O)c1oc2ccccc2c1CSc1ccccc1F	519999946	JMFRHRWGTQMTAP-UHFFFAOYSA-N	408.479	6.050	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Br)o1	520939116	KXTRMMBUSBGCGP-GFCCVEGCSA-N	408.321	5.100	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1	522484409	KFUCMDCQCVHPNW-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1	523968411	RZGDAKMVHFKZGV-XOBRGWDASA-N	403.404	5.095	30	20	HKED	
COc1ccc([C@@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)cc1	524606267	AYKLWOSFNYNLHU-LJQANCHMSA-N	416.452	5.128	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCSc2ccccc21	525136735	BWOJJXKAXKRWJG-HNNXBMFYSA-N	422.497	5.929	30	20	HKED	
CC(C)c1ccccc1N(C(=O)Cc1cccc(C#N)c1)c1nc2ccccc2s1	530677217	XHWNVXWJTZPZKL-UHFFFAOYSA-N	411.530	6.199	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccn1	532633920	PISNQXSZPGFLBH-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(CC(C)C)c1C(F)F	534088489	UCUDIBLSJLHNNR-UHFFFAOYSA-N	403.477	5.038	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(C#N)c(Cl)c1	535121075	NVDQAJKIUZJMLW-UHFFFAOYSA-N	409.898	5.192	30	20	HKED	
O=C(c1ccccc1CCC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	536204983	SZJUKZXMVMLKFO-UHFFFAOYSA-N	407.276	5.138	30	20	HKED	
Cc1ccccc1-c1nnc(SCCCC2(C#N)CCOCC2)n1Cc1ccco1	537466464	ASSCRJXQKUFYKW-UHFFFAOYSA-N	422.554	5.088	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)c1	539440618	LMRLBWJWNCFRDR-HXUWFJFHSA-N	422.868	5.027	30	20	HKED	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	541134269	OVLUXKNLEBCCDT-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
CCc1nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1	541192989	CNICRPRRLHROAQ-LBPRGKRZSA-N	421.263	5.063	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	544451974	KQABOILGLYNLNJ-NVXWUHKLSA-N	404.539	5.154	30	20	HKED	
CO[C@@H](C)c1nc(Cc2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)cs1	545822174	IEEVXPXIYQTUBW-AWEZNQCLSA-N	418.478	5.155	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCOc2ccc(F)cc21	548080917	HBUKNFMNHTVTQZ-QFIPXVFZSA-N	417.440	5.443	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1	554171550	DUVKZIRJUQPZIA-UHFFFAOYSA-N	424.472	5.100	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@@H](CCCC#N)c1ccccc1	556907236	OBUWYCKVNKJVJU-MHZLTWQESA-N	420.560	6.373	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2cncn2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	560230074	SMYHFZBIZZUGCY-HNNXBMFYSA-N	413.289	5.255	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1	568544990	VTWLZQJQMYUKDX-FQEVSTJZSA-N	423.513	5.172	30	20	HKED	
C[C@H](Nc1ccc(C#N)cc1Br)[C@@H](OC1CCOCC1)c1ccccc1	573052052	LAVNCVDPFYMBJB-YCRPNKLZSA-N	415.331	5.058	30	20	HKED	
N#CCCCCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	588162114	OGSRMGIIZKSWEO-DEOSSOPVSA-N	409.961	5.048	30	20	HKED	
CN(CCCCc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589367090	SXIMZSDBPQPKDL-UHFFFAOYSA-N	400.482	5.232	30	20	HKED	
CSCc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)oc2ccccc12	589471081	CPPLVUIGXWHAQG-UHFFFAOYSA-N	415.474	5.607	30	20	HKED	
Cc1c(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)sc2ccc(C#N)cc12	589984500	SSGSMIAXLAOGOK-MUUNZHRXSA-N	410.564	5.381	30	20	HKED	
CCOc1ccccc1OCCCC(=O)Nc1sc(-c2ccccc2)cc1C#N	603969450	WJWWWIGBFCITQN-UHFFFAOYSA-N	406.507	5.483	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2Cl)cc1	604026561	AYWILAQFICRSJX-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CC(C)Oc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	609105565	AWZBSJHZCBMBBZ-UHFFFAOYSA-N	404.441	5.316	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)cn2)cc1	609553992	OKIPSGTYFGEIOT-SFHVURJKSA-N	418.884	5.420	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C	610191308	KDOOUUARTNUUNB-VWLOTQADSA-N	413.521	5.072	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCC	613392763	ZVCRFERLAKEWMP-LJQANCHMSA-N	420.534	5.878	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1	615496930	GYFSQFRHQMHNBF-UHFFFAOYSA-N	421.472	5.028	30	20	HKED	
Fc1ccc([C@H](NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc2)nc1	680336361	GAQRDZLDWWPINB-HBUWYVDXSA-N	420.372	5.809	30	20	HKED	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	727951165	GZAGWFOUDZYKQA-OEMFJLHTSA-N	417.553	5.002	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	729420999	UYAGBHCACUXVBA-YFPIXMDGSA-N	403.482	5.028	30	20	HKED	
CCCCc1nc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)cs1	731664820	XPDRDPVFXXLSIM-UHFFFAOYSA-N	418.566	5.536	30	20	HKED	
Cc1ccsc1C(=O)/C=C\c1cc(Br)c(O)c(Br)c1	733749064	BMUKIHJHPDVLNN-IHWYPQMZSA-N	402.107	5.183	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1)c1ccncc1	734679868	QEECYBXZHUJRKY-DEOSSOPVSA-N	419.569	5.202	30	20	HKED	
CCCCC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)C	734699471	ZYLHYGNSXXFUJE-DHIUTWEWSA-N	419.569	5.392	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1	735034540	SHBOWQNTDLXMDG-HXUWFJFHSA-N	407.857	5.278	30	20	HKED	
O=C1/C(=C\c2nccs2)CCc2nc(-c3ccc(Br)cc3)sc21	735232924	XBIBXTVWJPQERL-LUAWRHEFSA-N	403.326	5.242	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1	740781884	OATBHYUMULTXJV-UHFFFAOYSA-N	402.878	5.504	30	20	HKED	
CSc1cccc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)c2cc(F)ccc2F)c1	742384551	IAMCGDRTPHZIIV-GYCJOSAFSA-N	424.516	5.857	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C	744015732	BUNSNOJQMVNPFK-MRXNPFEDSA-N	423.394	5.192	30	20	HKED	
COc1cc(C=NOCc2cccnc2)ccc1OCc1cccc(C(F)(F)F)c1	746587820	RYVCTXQQFQTSDQ-UHFFFAOYSA-N	416.399	5.239	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1	747195897	BUMQAHCQAOZUGD-KRWDZBQOSA-N	410.568	5.038	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)n1	747197938	OTOUXHUEAXMGGN-MRXNPFEDSA-N	418.609	5.390	30	20	HKED	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	747790959	HBRJNPSMFHUVFY-OFVILXPXSA-N	421.541	5.222	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	749125032	ZJOMSRHIITXJPY-UHFFFAOYSA-N	419.403	5.485	30	20	HKED	
C[C@@](O)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	754837113	NGNLVODIZNOXGA-GGAORHGYSA-N	424.422	5.207	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	759278162	BRZBXODUCDFHDL-XJKSGUPXSA-N	412.461	5.152	30	20	HKED	
C[C@H](O)C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1	759495271	NMQSZNYXIZZTQQ-BFMBIBTESA-N	413.521	5.018	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1cccnc1)c1cc(Br)ccc1F	763121838	KJVSTELUKAMPMG-JXMROGBWSA-N	412.258	5.458	30	20	HKED	
Cn1c(CC(=NOCc2ccc(C(F)F)cc2)c2ccccc2)nc2ccccc21	763427320	PYSBDTNJXAFDQE-UHFFFAOYSA-N	405.448	5.675	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc32)nc1	768402886	RYRPHZNRHRENFM-MRXNPFEDSA-N	413.506	5.067	30	20	HKED	
Cc1cccc([C@H](O)CN(Cc2ccccc2)Cc2ccc(O[C@H](C)C#N)cc2)c1	769545928	SBOLPUJKBHJVRL-QFQXNSOFSA-N	400.522	5.022	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NCC(=O)NC4(C#N)CCCCC4)cc3C2)cc1	771683231	POLUCGDSIQFTQS-UHFFFAOYSA-N	416.569	5.085	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1ccc2c(c1)CCC(=O)N2C	774138018	HXRLDPQMHBEBBC-DHZHZOJOSA-N	406.482	5.063	30	20	HKED	
C#CC[C@H](NCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccccc1	775401784	ZHGXGIOQFHGQLH-NRFANRHFSA-N	409.942	5.335	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCc2c(Cl)cccc21	776077883	RPDGOODTWOXREA-JKSUJKDBSA-N	420.868	5.032	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1	778605548	RNFZDCGEPOHCAB-KRWDZBQOSA-N	422.834	5.445	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccccc1Sc1ccccc1	779742643	KHKHTFCRPPGUAV-KRWDZBQOSA-N	403.507	5.179	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	780306070	SRGJKULHTPIIKJ-NRFANRHFSA-N	409.420	5.002	30	20	HKED	
C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN2CCC(CC#N)CC2)c1=S	781571073	FWQAYZSASMLQAW-IBGZPJMESA-N	417.582	5.274	30	20	HKED	
Cc1cccnc1C(F)(F)C(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	784018562	POHGRVMJDKWKGP-CYBMUJFWSA-N	413.264	5.347	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)O[C@@H]([C@@H]2CCCOC2)C(F)(F)F)cc1	789649311	NAPAGPMXZYAIAF-APWZRJJASA-N	421.440	5.224	30	20	HKED	
C=CC[C@H](NC(=O)Cc1csc2ccc(Br)cc12)c1ccncc1	791595966	WMQOKIDQPXOECK-KRWDZBQOSA-N	401.329	5.035	30	20	HKED	
CCc1nc(C)c(C(C)=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)s1	794978986	AJGLVXIXBZQAAU-UHFFFAOYSA-N	405.449	5.326	30	20	HKED	
COC(=O)[C@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1	795483514	VEXFEKXJVPKNKU-QGZVFWFLSA-N	417.412	5.027	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1	797144010	XCGYZCSXZWLZRR-OAQYLSRUSA-N	409.498	5.138	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3cccnc3)ccc2C)c1	797655060	LYTYYSOXXIJOIU-OAQYLSRUSA-N	400.482	5.060	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)c1	805112772	DIAAWSFINDOTNN-KMDXXIMOSA-N	417.553	5.063	30	20	HKED	
N#C[C@@H](CCc1ccccc1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	904480796	ZKMNKDQZIFCLON-JOCHJYFZSA-N	419.488	5.375	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1CSC1=NCCS1	916564673	WEVREKAGXHKBTJ-UHFFFAOYSA-N	423.028	5.566	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)cc1	916680553	KXGLYHYZGOAHDG-CLJLJLNGSA-N	409.533	5.971	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1ccc2ccccc2n1	916848977	LVUGNAITFQASDX-INIZCTEOSA-N	411.324	5.274	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916977306	PRFJKSZVUQMBJE-PXAZEXFGSA-N	417.317	5.761	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)ccc2c1	917040258	JAPBGVCFKRLEPK-BQHJZSHBSA-N	417.415	5.483	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917045212	WUXHQEHBSBCADU-CMPLNLGQSA-N	424.234	5.382	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	917751641	MUEAAKLOARCYAP-YDZSZYSISA-N	403.334	5.496	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl	920105803	MOANBYMDBQTQEW-AWEZNQCLSA-N	406.894	5.858	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccc4c(c3)CCC4)n2)cc1	920140531	HZVCCUOJYXXBFZ-FQEVSTJZSA-N	415.543	5.139	30	20	HKED	
O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccc2nc(O)oc2c1	1130126174	NDWUIKUQNLGHRV-UHFFFAOYSA-N	422.256	5.075	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC(C)(C)C2)CC1	1823755229	OKVZNXRHBAYXLQ-NRFANRHFSA-N	402.623	5.035	30	20	HKED	
C=CCn1c(C)nnc1S[C@H](C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1	6909797	DQHWIUCJPGZLTQ-QHCPKHFHSA-N	416.550	5.533	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccccc2CC)cc1	10173630	BXMMMMLSZTZZRZ-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)oc2ccccc12	41513779	VRJGSRPLPSWHAG-QGZVFWFLSA-N	402.475	5.501	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccccc2C(F)(F)F)cc1	55823580	HZCYIGKBJQTGKV-UHFFFAOYSA-N	410.395	5.603	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(Cl)cc1Cl	112575000	DBSSFBUOBBZWNV-ZDUSSCGKSA-N	408.354	5.609	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	115187223	TWLXCRHYEWCYLU-CQSZACIVSA-N	424.595	5.130	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2csc(-c3ccc(F)c(F)c3)n2)s1	430642342	OHGUODWUHBBCOY-NSHDSACASA-N	403.479	5.332	30	20	HKED	
CC(C)c1nc2ccc(NCc3cn(CCC#N)nc3-c3ccncc3)cc2s1	433342467	WNMNFLKBLKEQCJ-UHFFFAOYSA-N	402.527	5.204	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)cc1	435667357	KCGQMHFYUOMMJQ-AYRHNUGRSA-N	423.516	5.182	30	20	HKED	
CSc1c(F)cccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	435686572	WHQXPWSBVAODAM-UHFFFAOYSA-N	410.445	5.390	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2cccc(CSCC)c2)cc(OC)c1OC	438384511	WPOJHQLGBLCELA-UHFFFAOYSA-N	400.544	5.007	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-]	439256074	HGHOAINYHAYLIG-HNNXBMFYSA-N	418.478	5.161	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccccc1	439478844	OPOXIVFGOMRULS-GOSISDBHSA-N	421.888	5.434	30	20	HKED	
CC1(c2ccc(Br)cc2)CCN(C(=O)Nc2ccc(CC#N)cc2)CC1	441336161	ZWCYMZSCIQTCCI-UHFFFAOYSA-N	412.331	5.101	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)sc2c1CCCCCC2	443879343	OZXCXUURLWXIRI-UHFFFAOYSA-N	418.522	5.458	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F	443999827	DWUQYOABRVRMNG-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1ccccc1C	460586454	SALGEKUJUQUNDK-OAQYLSRUSA-N	418.541	5.188	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(OCc2csc(Br)c2)c1	460737384	DNOPFLDWIRGXDL-CYBMUJFWSA-N	421.360	5.020	30	20	HKED	
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1	460773924	WEKZYGLWXAPFCN-INIZCTEOSA-N	410.509	5.065	30	20	HKED	
CC[C@@H](c1ccccc1)[S@@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	462992394	PEXPQDNDYNLYOI-QCDSWUKFSA-N	419.546	5.546	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	463591654	AUFVQHYKDGEQEI-UHFFFAOYSA-N	416.477	5.073	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1	464188983	UHTSWPZEVMAOMB-CYBMUJFWSA-N	404.278	5.011	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1Br	464467563	KUABGJIMLIEPNV-LLVKDONJSA-N	417.612	5.315	30	20	HKED	
Cc1nn(-c2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)c(C)c1Cl	464940923	FHEJTSXJBJHESU-VXKWHMMOSA-N	418.928	5.055	30	20	HKED	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	468784597	CEFAJRRLEJTTOK-HNNXBMFYSA-N	420.444	5.073	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1	471874698	HFFVQNWMZCSDFD-UHFFFAOYSA-N	408.521	5.127	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2coc(C3CCOCC3)n2)cc1Cl	474877428	YYUASCXJCVQBSE-LJQANCHMSA-N	421.884	5.130	30	20	HKED	
CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1ccc(F)cc1)c1cccnc1	475755061	LAYPKCDJDGNKPI-XMMPIXPASA-N	415.512	5.664	30	20	HKED	
N#CCCSc1ccccc1NCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1	476400636	WPVMVHNZBNVVOA-HSZRJFAPSA-N	411.546	5.291	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)c1cc(Cl)sc1Cl	476801661	UGUHNJCQXFXSER-UHFFFAOYSA-N	410.366	6.508	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1Cl)C(C)C	477093103	VFAABUARQFSXGD-GOSISDBHSA-N	411.933	5.237	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnn(CC(C)C)c1C(F)F	480930373	CSPBJRREJXRQLM-UHFFFAOYSA-N	402.898	5.412	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	483240181	YOKZKQDUHSRZLQ-INIZCTEOSA-N	419.456	5.290	30	20	HKED	
CCOc1ccc(-c2nc(CC)c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)s2)cc1	483476230	HPAOWHUQEOWEET-MRXNPFEDSA-N	417.490	5.402	30	20	HKED	
CC(C)Oc1ccc(-c2csc(NC(=O)CSc3ccc(C#N)cc3)n2)cc1	483728713	VBUXAOQYRSSZFM-UHFFFAOYSA-N	409.536	5.200	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(Sc3ccccc3C#N)cc2)nc2ccccc21	484556996	UFRWNKCUZZRVEB-LJQANCHMSA-N	408.486	5.086	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](c3ccccc3)c3cccnc3)c2)cc1	485649335	OLXPQUICNLYOEH-VWLOTQADSA-N	405.457	5.265	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc3ccccc3n2)cc1	485979926	OBFHFZNESKUELS-UHFFFAOYSA-N	421.500	5.451	30	20	HKED	
CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n[nH]1	486139636	VTTYCCPDKZXGNB-GOEBONIOSA-N	418.501	5.173	30	20	HKED	
N#Cc1ccc(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc1Br	487968766	NZUAINYFDXFNOF-UHFFFAOYSA-N	416.241	5.098	30	20	HKED	
CN(C(=O)c1cccc(F)c1C#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	488863614	IYPUKQGBSYSNPG-UHFFFAOYSA-N	415.346	5.180	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	489788301	GZSMXFWMJSGWCI-MRXNPFEDSA-N	409.511	5.038	30	20	HKED	
O=C(NC[C@@H](c1ccccc1)C(F)(F)F)Nc1cc(F)c(OC(F)F)cc1F	491350459	WUTUXFYXEQVFDM-JTQLQIEISA-N	410.289	5.034	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)o1	500596315	KHILRCUSVLSRMA-FGZHOGPDSA-N	410.473	5.191	30	20	HKED	
Cc1ccc(Br)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	501420226	HUSODHWAXVSQBM-UHFFFAOYSA-N	423.335	6.033	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1	501596199	HTJFSFPXUIFKKT-AWEZNQCLSA-N	421.488	6.132	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1	502350138	CEIGUQMGEJFFBS-UHFFFAOYSA-N	417.465	5.814	30	20	HKED	
Cc1cc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)nn1CCC#N	504098881	CKFIBCVGVPSCNI-UHFFFAOYSA-N	416.378	5.182	30	20	HKED	
O=C(NC[C@@H]1CCCC(F)(F)C1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	504803360	YELRYFUYZPWMHC-ZWNOBZJWSA-N	416.337	5.016	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1	507823882	HKHYWWZBXQTXLL-SFHVURJKSA-N	415.493	5.415	30	20	HKED	
C=C(C)CCc1noc(CSCc2nc(O)c3c(-c4ccccc4)csc3n2)n1	508603584	JKQXFCVVTXCWBE-UHFFFAOYSA-N	424.551	5.389	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(F)cc2)C(C)C)cc1	509233678	ILPWWMRRGRGZJA-UHFFFAOYSA-N	409.505	5.082	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510185806	NRQNUUNCGOJSBD-QGZVFWFLSA-N	419.575	5.377	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(C#N)cc1	510415926	YAPPGYDMFMDZFP-UHFFFAOYSA-N	409.898	5.192	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1	510844294	QCENUTGNBNJCBH-UHFFFAOYSA-N	411.933	5.208	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc(OC)c1OC	512137606	VVTIWIDVNRMJAS-UHFFFAOYSA-N	404.466	5.180	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl	512325089	SSRGLRSTCAVPAR-UHFFFAOYSA-N	406.869	5.409	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1C	513692656	RKFJNVHXQSXZFL-FQEVSTJZSA-N	410.498	5.634	30	20	HKED	
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	517511710	NEALZKLEWKWJCO-HJPURHCSSA-N	411.461	5.197	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCOc1ccc(Cl)c(Cl)c1	518140367	MPTUMMJGGVOHBN-CYBMUJFWSA-N	409.338	5.653	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)cc2)nc1	518895401	XTTTWXZUHQJKOG-HSZRJFAPSA-N	401.441	5.156	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	521810879	IJGKIYLKYPQUQZ-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)c(F)c1	522133709	RESYCDRKVJVQRN-GFCCVEGCSA-N	422.323	5.162	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccccc1Cl)c1ccccn1	523959215	NMRHNIRWBGUASJ-MRXNPFEDSA-N	418.905	6.264	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2ccccc2)on1	524386828	YMEWVDZILYQZIG-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1cccn2cc(COc3ccc(CN[C@H](CCC#N)c4ccccc4)cc3)nc12	533037712	YQFQTXCKKUDPLX-RUZDIDTESA-N	410.521	5.356	30	20	HKED	
Cc1nc(NC(=O)c2cc3ccccc3cc2OC(F)F)sc1SCC#N	535625139	AXRFJOKQNCMJLB-UHFFFAOYSA-N	405.451	5.074	30	20	HKED	
COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)ccc1OCc1ccccc1	537404817	LWOCEIXEKMDWOF-ROUUACIJSA-N	404.485	5.697	30	20	HKED	
COc1ccc(CN(C(=O)Nc2cc(C#N)ccc2C)C2CCCCC2)cc1OC	537716857	QWSDHYSDWYGZFC-UHFFFAOYSA-N	407.514	5.251	30	20	HKED	
C=CCC[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)C1CC1	540835273	GZBSJMCMRZVYEP-OXQOHEQNSA-N	400.954	5.510	30	20	HKED	
N#Cc1ccc(OC2CCC(NC(=O)Nc3cccc(C(F)F)c3Cl)CC2)nc1	541792369	YXEIGSSRDUQRGX-UHFFFAOYSA-N	420.847	5.056	30	20	HKED	
Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	542838213	LVCBMOFPVKOZOM-UHFFFAOYSA-N	407.477	5.041	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	543563573	MTZMGNVTWWJUKH-OAHLLOKOSA-N	406.511	5.349	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cc2ccccn2)ccc1C	549393316	MUQBEKMOZYOYDF-UHFFFAOYSA-N	416.481	5.109	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1	551831471	GSJMDHRPQOXKNU-JOCHJYFZSA-N	405.542	5.423	30	20	HKED	
Cc1nc(-c2cccc(-c3noc(-c4cnc(C(F)(F)F)c(C#N)c4)n3)c2)cs1	559951163	OHLOWRKMUGBVBJ-UHFFFAOYSA-N	413.384	5.121	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCN4c5ccccc5C[C@H]4C3)cc2)c1	562023052	SXGPLEAHBGQAQN-QFIPXVFZSA-N	424.504	5.019	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2csc(C)n2)cc1	571988051	ZGHJBBWCQBCQSP-UHFFFAOYSA-N	409.559	5.506	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1	572640578	QGACNLNWLBQWMT-UHFFFAOYSA-N	408.914	5.234	30	20	HKED	
N#Cc1ccc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)c(C(F)(F)F)c1	579173874	JPZIZMSLUGEJTJ-GXDHUFHOSA-N	402.397	5.592	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1	583457360	AKRXFQJSEGJBHR-HEFCMCLBSA-N	415.946	5.386	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	590016516	QTRXRYWBLVIYNC-HOTGVXAUSA-N	412.238	5.284	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3sc4c(c3C#N)CCC4)c12	603727054	AUTBVNOWORQGGA-UHFFFAOYSA-N	421.570	5.292	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1Cl	603759163	VOJHPHKUDHIXCB-NQIIRXRSSA-N	402.881	5.185	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)cn2)c1	603801710	ISOTVAWIEUPWCC-QHCPKHFHSA-N	410.433	5.250	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3ccccc3Br)cn2)cc1	603961974	RWFCWTBFMFBBQK-UHFFFAOYSA-N	422.282	5.079	30	20	HKED	
C=CCc1ccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C#N)c(OC)c1	603969142	HFDMVPJXSVOVLN-UHFFFAOYSA-N	404.491	5.041	30	20	HKED	
C=CCCCN(C)C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1	605645554	YJWUKFJURKFBAH-UHFFFAOYSA-N	418.331	5.075	30	20	HKED	
CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	609376837	KINRMXYMCORVTL-KRWDZBQOSA-N	409.555	5.063	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2ccccc2c1	609378643	UXPCCHMDFPIKTR-UHFFFAOYSA-N	414.452	6.046	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccco3)Cc3cccs3)cc2)nc1	609497074	WVJCXLZGMSLFOZ-UHFFFAOYSA-N	415.474	5.243	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(Br)c1	609497257	XXDQBFZZOIDUIH-UHFFFAOYSA-N	421.294	5.868	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1	609736955	VCVYYCHRAHBNFV-MWTRTKDXSA-N	421.591	5.670	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cccc(Oc2nccs2)c1	609906990	GHWRLIFTDLZQPG-UHFFFAOYSA-N	401.447	5.247	30	20	HKED	
C[C@H](NC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cccc(C#N)c1	610318435	LTOSRBIFIIEZFG-LBPRGKRZSA-N	416.428	5.583	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	611205282	SDNOFDNUXGTNEF-UHFFFAOYSA-N	420.450	5.018	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1	618750000	LERUKZOZPDEQNN-RUZDIDTESA-N	422.488	5.012	30	20	HKED	
N#Cc1ccc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1Cl	619607697	WDSXOLIRFZWWGL-UHFFFAOYSA-N	410.798	5.331	30	20	HKED	
CN(C(=O)Nc1cccc(C#Cc2cccs2)c1)[C@@H](c1ccccc1)c1ncc[nH]1	644980473	WWKFIFNEICUSCY-QFIPXVFZSA-N	412.518	5.124	30	20	HKED	
O=C(c1cc(C(F)(F)F)ccc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675442251	BXOFIMBKTWXWDJ-DTORHVGOSA-N	411.239	5.047	30	20	HKED	
C=CCC[C@@H](NCc1csc(-c2cnn(C)c2)n1)c1ccc(C(F)(F)F)cc1	678799518	ZQMSCVUEOCNUPF-GOSISDBHSA-N	406.477	5.360	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2\CCC/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1	727744473	IQSQYLRHXHMUQW-IERGMSIESA-N	412.489	5.488	30	20	HKED	
N#C[C@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc2cc(F)ccc2s1	730416149	BACIHDXRFMJLHB-LPPOOGIUSA-N	422.481	6.053	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2o1	730690894	ZOJTXHNISDINJG-OPAMFIHVSA-N	420.827	5.617	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1	731062389	JPQPIOWIDTXJEL-MRXNPFEDSA-N	410.539	5.031	30	20	HKED	
Cc1ccc(CN(C(=O)Cc2ccc(OCC#N)cc2)[C@@H]2CCc3ccccc32)cc1	731975310	DUZOJBZIUMLXMZ-AREMUKBSSA-N	410.517	5.156	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)cc1	732708615	RYMGOPTVKOBAKK-HXUWFJFHSA-N	420.415	5.281	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2ccccc2)ccc1OC	733232411	SCGDARYMQUWDLM-GOSISDBHSA-N	406.507	5.035	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1ccc(-c2ccc(F)cc2C)o1	734415173	UVQIHYFEDGXYQJ-QFIPXVFZSA-N	424.472	5.052	30	20	HKED	
Cc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	734963381	HALGKKLANDUZPI-KSSFIOAISA-N	402.466	5.151	30	20	HKED	
CS[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	740539854	WCHLGVVLLYFMPI-BFUOFWGJSA-N	400.475	5.369	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1	741390195	DPXNKNWBCBDNLF-SANMLTNESA-N	424.548	5.759	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc4c(cnn4C(F)F)c3)c2)s1	747391383	YGNOGUGPPMYMBP-UHFFFAOYSA-N	423.448	5.353	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1	748666760	GUVRCPQCBPYPBG-UHFFFAOYSA-N	411.389	5.148	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1	750442619	IJVNWMFZFAHAHY-JLSDUUJJSA-N	410.436	5.117	30	20	HKED	
CCc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	751014570	PTVWLTGKHAMCMZ-UHFFFAOYSA-N	403.507	5.730	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Cl)ccc1Br)c1nc2ccccc2s1	751151924	IIDQDNVJBAQQQT-CYBMUJFWSA-N	419.731	5.521	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cnc(-c2ccncc2)s1	753143718	HJRPYGAAHCHMQA-VOTSOKGWSA-N	407.495	5.672	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(Br)cc2SC)c1	756119219	PAFRPVDRIMAKGM-QGZVFWFLSA-N	405.361	5.142	30	20	HKED	
COc1ccccc1-c1nc(COC(=O)c2ccc(C(F)(F)F)cc2C#N)cs1	758119024	FXKSUUBHNTWYNE-UHFFFAOYSA-N	418.396	5.066	30	20	HKED	
C=C[C@H](CC(=O)OCc1csc(-c2ccc(OC)cc2OC)n1)c1ccccc1	758920084	KSFNBXXJONDUKO-MRXNPFEDSA-N	409.507	5.230	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	760204409	OJXZUIDZBJPHLQ-KRWDZBQOSA-N	408.498	5.609	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@H](Sc1ccccc1F)c1ccccc1	760791360	AAJFBRIHTANCRU-OAQYLSRUSA-N	410.445	5.339	30	20	HKED	
N#Cc1cccc(OCc2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)c1	761725988	FYBHAAMUKGYVJX-UHFFFAOYSA-N	404.813	5.028	30	20	HKED	
N#CCOc1cccc(Cc2nc(-c3cccc(Oc4ccc(Cl)cc4)n3)no2)c1	762303286	XJHFSHQHWWLULJ-UHFFFAOYSA-N	418.840	5.070	30	20	HKED	
CCCOc1c(/C=C/C(=O)c2cc(Br)ncc2F)cccc1OCC	762419403	ALIZWULKLIOPIB-CMDGGOBGSA-N	408.267	5.067	30	20	HKED	
Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1	767762270	HPRYYECXGDXDKB-TZIWHRDSSA-N	422.598	5.380	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC=C(c3ccccc3Cl)CC2)cc1C#N	768907528	XESCCOKGSIQGCP-UHFFFAOYSA-N	424.888	5.101	30	20	HKED	
Cc1ccc([C@H](O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	770217274	JMVHQOBSNZMJMU-JTHBVZDNSA-N	419.912	5.159	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OC[C@@H](C#N)Cc1cccs1	772732141	GHAJFHCTOZPDDU-GFCCVEGCSA-N	404.850	5.043	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccccc2OCc2ccccc2)c1	772983021	ITGGBBUZGBLXMU-OFNKIYASSA-N	400.522	5.797	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)Cc1ccccc1CC#N	776851792	GUPQHPDPYDTPPK-UHFFFAOYSA-N	404.441	5.182	30	20	HKED	
Cn1cc(CNc2ccc3c(c2)OC2(CCCCC2)O3)c(-c2ccc(C#N)cc2)n1	778103712	MUCNNCYGHCODOK-UHFFFAOYSA-N	400.482	5.002	30	20	HKED	
N#Cc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1Cl	778544726	JXTWHHGMYHYVKQ-UHFFFAOYSA-N	420.877	5.198	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CCC2	780577987	VMTRFPGMVWSQEE-HXUWFJFHSA-N	404.495	5.315	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNCc2cccc(Cl)c2Cl)cs1	790181614	SOMZZJCKAHHRLG-UHFFFAOYSA-N	419.337	5.258	30	20	HKED	
CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1	791697022	BUTJYJSHNWIKDW-HNNXBMFYSA-N	421.522	5.314	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1cnc2ccccc2n1	792115028	RXLQWZOLGHGYEJ-BMWLXYDHSA-N	401.775	5.192	30	20	HKED	
N#C[C@@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	802044731	CMYWCHQQOUONQK-DOTOQJQBSA-N	404.388	5.716	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2Cl)CC2CC2)c1	805114812	ZOBVTHBAOOMJDZ-FQEVSTJZSA-N	411.933	5.143	30	20	HKED	
N#Cc1ccc(CNc2ccc(OCc3ccccn3)c(Cl)c2)c(C(F)(F)F)c1	810149882	VZHGPPTZVWFURE-UHFFFAOYSA-N	417.818	5.817	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(O)c(COC(C)C)c1	811592807	IUEIBIRILFDJBV-UHFFFAOYSA-N	409.404	5.153	30	20	HKED	
O=C(/C=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1c(Cl)nc2sccn12	811691605	OQWAJIABBIUXIH-OWOJBTEDSA-N	402.646	5.160	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC	818618617	UXCFBVHBFOUHMS-MRXNPFEDSA-N	418.921	5.050	30	20	HKED	
COc1cccc(-c2nc(CON=C(C)c3ccc(NC(=O)C4CC4)cc3)cs2)c1	914572280	MHZPPHCJFLRHLK-UHFFFAOYSA-N	421.522	5.108	30	20	HKED	
Cc1noc(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	915102639	BOZVXRODYAKSTJ-OAHLLOKOSA-N	420.321	5.531	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1	916154479	GXUONEJVYPSRDZ-GZTJUZNOSA-N	417.328	5.212	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2sc3ccccc3c2s1	916929338	IKHGQFKOEZYHSF-ZDUSSCGKSA-N	406.488	5.086	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2c(Cl)ccc3cccnc23)cc1OC	917397078	MWNCDRBTBLRZDF-UHFFFAOYSA-N	405.281	5.500	30	20	HKED	
CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H](C)c1cc2ccccc2o1	920087299	KCOAZGVNRVTAKR-DOTOQJQBSA-N	403.507	5.302	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1	920101505	BTWHVLYSGVHMHH-INIZCTEOSA-N	402.837	5.595	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C/C(=O)[C@@H](C#N)c1nc(C(=O)OCC)cs1	920326877	BZBXLNBKHGNFTL-FMQWLBJXSA-N	422.506	5.298	30	20	HKED	
CCOCCOc1ccc(Br)cc1/C=C\C(=O)c1ccc(F)cc1F	921260844	DWLNDHWFJMURBT-CLTKARDFSA-N	411.242	5.039	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)[nH]n1	1819307466	UZOVBWVUUVSJIW-UYAOXDASSA-N	412.578	5.163	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1Cl	14685978	OAEDAQWNPYPAFO-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1C1CC1	23517205	WAEKVGBUOLGHSF-MRXNPFEDSA-N	420.538	5.253	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)n1	31776992	PMCZLAGYZDKIOI-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC	40147315	YBMNGWVCJYXPFL-NTEUORMPSA-N	404.462	5.188	30	20	HKED	
N#C[C@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc(-c2ccccc2)cs1	41533139	CLNQIPXPWRAXQH-GOSISDBHSA-N	418.909	5.198	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCCC(C)C	60488203	ACUXEBRTYDPRGH-OAHLLOKOSA-N	411.889	5.140	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1	140115846	RTCZYGCZBZKTGZ-HNNXBMFYSA-N	419.893	5.459	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NCc3ccc(O[C@@H](C)C#N)cc3)cc2)c1	237498912	JARJHISIEGMUTM-SFTDATJTSA-N	400.522	5.716	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1	237610889	XHPDMTBPOAWYLD-HXUWFJFHSA-N	408.505	5.120	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1	303256081	DGEURTHJAIKAFK-LBPRGKRZSA-N	416.959	5.199	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1ccc(C#N)cc1	303954605	WSBRYHJVWMVANC-UHFFFAOYSA-N	412.468	5.856	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1F	303989389	IFAUBEIOWABLOO-OAHLLOKOSA-N	413.518	5.457	30	20	HKED	
COc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1C(F)(F)F	426928543	JBMKEFYTVWNRRE-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
N#Cc1c(F)ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c1Cl	431212996	XRBKKEKUUNFFPU-LJQANCHMSA-N	413.239	5.170	30	20	HKED	
CC(C)c1[nH]nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-]	434227566	KGJZHPPXKLSTEV-INIZCTEOSA-N	423.860	5.002	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN(Cc1ccc2ccccc2c1)C1CC1	434714513	QRTHFWQIRMVJCE-UHFFFAOYSA-N	401.535	5.059	30	20	HKED	
CC(C)c1ccc(C[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1	434987215	SUXVVZZFTOIFBW-JOCHJYFZSA-N	413.569	5.047	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2s1	435189128	RYOMXIXTVVRRAO-UHFFFAOYSA-N	408.914	5.451	30	20	HKED	
Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cnn1-c1ccccc1	435347862	OVUZPKFOIFDVAI-UHFFFAOYSA-N	410.502	5.456	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1	435595366	BUCMBHDFNGCRRR-AYWVHJORSA-N	418.562	5.823	30	20	HKED	
Cc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cccc1OCC(F)(F)F	437948215	BOGLRSQBHRQKLL-PKOBYXMFSA-N	417.431	5.240	30	20	HKED	
CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438661926	QJKDXVQDJMQFGU-OAHLLOKOSA-N	401.507	5.485	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cc(Cl)c(Cl)cc3F)CC2)c1	439951647	DIERBYIYSLCNLT-UHFFFAOYSA-N	408.260	5.079	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)o1	440595832	DSQSPKUYUAWQQH-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
C[C@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccc(Br)s1	443836991	NBYOREDXGSOUDQ-ZDUSSCGKSA-N	415.312	5.312	30	20	HKED	
O=C(CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccccc1F	444737543	QXCGDWKOMRZITR-HNNXBMFYSA-N	408.317	5.066	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1	460342808	JXBRXIKUKKHJNB-MSOLQXFVSA-N	420.862	6.114	30	20	HKED	
COCCN(C(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C#N)cc1	460344755	CLQNTCXBRXJVMG-UHFFFAOYSA-N	402.519	5.144	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)s1	461539563	HSHPVDHBASCZEP-UHFFFAOYSA-N	415.522	5.197	30	20	HKED	
Cc1ccc2c(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c[nH]c2c1	465120442	KGNHIMVJCRJFJK-UHFFFAOYSA-N	423.516	5.807	30	20	HKED	
C=CC[C@H](C)NC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466508113	DAGLGCZJCXONOY-WCQYABFASA-N	408.365	5.206	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1	466607712	MFTWKQBZMMRKFK-QFIPXVFZSA-N	412.493	5.096	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1	467337553	VYNADZXWWQOIKI-DNVCBOLYSA-N	415.946	5.340	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1	467930771	SQKOCDCSBXHJFG-UHFFFAOYSA-N	406.461	5.363	30	20	HKED	
CC[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nc(C(F)(F)F)cs1	469478388	RJWVEVQKEPKIJH-OAHLLOKOSA-N	420.460	5.301	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)C1CCCCC1	475108007	GQGRSKMENKSZRJ-OAQYLSRUSA-N	403.526	5.117	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3CC(N4CCCCC4)C3)cc2Cl)cc1	475371640	MPQILYUEYXALEZ-UHFFFAOYSA-N	424.932	5.142	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C	475561295	BBVMNMGPAKQSHC-QFIPXVFZSA-N	406.505	5.322	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	476793816	HVIAQGSVFXVFQJ-IBGZPJMESA-N	423.532	5.560	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)Cc1ccc(SC)c(OC)c1)c1ccc(F)c(F)c1	477739730	FEYNKOXZUXYNOL-HXUWFJFHSA-N	406.498	5.154	30	20	HKED	
C=CCn1c(Sc2ccc(C(=O)CC)cc2[N+](=O)[O-])nnc1-c1ccccc1C	480096776	RYMFQCGJQXZBDK-UHFFFAOYSA-N	408.483	5.092	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(Oc2ncccn2)cc1C)c1ccc(F)c(F)c1	480840296	OYNMLZNWDSRMBR-FQEVSTJZSA-N	410.424	5.294	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccc3)C3CC3)cc2F)c1	481709110	BYGISYYMZJBLPB-UHFFFAOYSA-N	415.468	5.473	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(Br)c(Cl)c1Cl)c1ccccc1	484079403	OJHZEUJMHMAUOC-LBPRGKRZSA-N	412.114	5.782	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)ccc1OC(F)F)c1nc2ccccc2n1C(F)F	484558678	OCKQEIBVIFZMIL-NSHDSACASA-N	411.742	5.176	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1C	488921310	SETRZMGJJQMNNI-CQSZACIVSA-N	409.540	5.404	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)c1cc(C)ccc1C	489684232	UDPPSXNTCBKFFR-SFHVURJKSA-N	407.539	5.023	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	490197487	ODNBUNWUELIFBH-UHFFFAOYSA-N	408.445	5.098	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(CN(CC)CC)c1	500102524	DFKGCGWQYHXJSX-UHFFFAOYSA-N	405.995	5.141	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1cccc(F)c1	503298799	DLZBETYBEQUYIV-UHFFFAOYSA-N	418.443	5.341	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)cc1	503480602	VNDAYHSRBTYUDW-UHFFFAOYSA-N	420.472	5.543	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	504539526	ROKSQUOAKYSEKP-INIZCTEOSA-N	423.416	5.110	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCCOc3ccccc32)cc1	504682559	JTGIOTNXCZSLCE-QFIPXVFZSA-N	414.530	5.494	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c12	504905974	QSVJPHQWRFUZEU-UHFFFAOYSA-N	413.452	5.247	30	20	HKED	
C=CCCc1ccccc1NC(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1	505001969	YOMXQJWOMPMYRC-UHFFFAOYSA-N	421.522	5.037	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1	512853054	ZRKVLIAJRARGNA-UHFFFAOYSA-N	405.504	5.547	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1	512949442	XARKNNHBHSXMTB-CYBMUJFWSA-N	416.911	5.192	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccccc2SCc2cccs2)nc2ccccc21	513686598	BWZWMIXYNUEMET-KRWDZBQOSA-N	403.532	5.417	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c12	514535135	STHOJIRENOZYKI-UHFFFAOYSA-N	424.504	5.368	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C)c1ccc(C#N)cc1	515552455	KSYRGZZWCBAGHD-AWEZNQCLSA-N	423.925	5.325	30	20	HKED	
N#CCc1ccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1	515663757	MCFRGPFBRGSEHZ-HSZRJFAPSA-N	424.331	5.377	30	20	HKED	
CN(CCCOc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	517529546	DGYMUFVKJSLKHA-UHFFFAOYSA-N	401.466	5.283	30	20	HKED	
N#CCCCOc1cccc(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)c1	518275776	URNOWLZRTYKFRU-XMMPIXPASA-N	408.904	6.041	30	20	HKED	
C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519052338	RJKNYFJRRMNYEH-KRWDZBQOSA-N	401.466	5.199	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2	520388263	KHFROEDFIYWSFA-GUDVDZBRSA-N	421.610	5.495	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1	520652944	AVJIGEKKDAWXJJ-QHCPKHFHSA-N	424.541	5.577	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1	521746326	FXJVJKQJCJNXCG-GOSISDBHSA-N	401.535	5.849	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCc4c(ccc(Cl)c4Cl)C3)cc2)nc1	521969586	WPSZOOAPEACAOM-UHFFFAOYSA-N	424.287	5.251	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cc21	522087627	LYVMGRNYJWLHSZ-UHFFFAOYSA-N	417.513	5.001	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1	523530363	OLPYLEYQONFZAH-UHFFFAOYSA-N	416.525	5.165	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1	523972621	JEZXAXKECNCJEG-UHFFFAOYSA-N	411.431	5.092	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2c1	526109841	XQSNRLCUQKQPBI-GFCCVEGCSA-N	423.188	5.408	30	20	HKED	
N#CCC[C@@H](NCc1csc(-c2cccc(Br)c2)n1)c1ccccc1	532669633	CTRQESJYHWLLCT-LJQANCHMSA-N	412.356	5.707	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1	538625928	LFPFPKCYKQAQEI-DENIHFKCSA-N	423.476	5.193	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)CC)cc1	539429127	MEMKOOMDQHRLIM-QGZVFWFLSA-N	417.596	5.106	30	20	HKED	
CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	539576507	DOZNVCYHUZSMBD-WOJBJXKFSA-N	401.432	5.055	30	20	HKED	
O=C(CCCC(F)(F)F)Nc1cc(NC(=O)CCCC(F)(F)F)c(F)cc1F	539961696	XQVOFIOQEFFKGU-UHFFFAOYSA-N	420.300	5.307	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)n1	540745220	MEOIJFFYOLOITG-KRWDZBQOSA-N	419.510	5.144	30	20	HKED	
CC(C)C[C@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	540813299	DHGXWKWTDIBJIR-GMAHTHKFSA-N	421.541	5.047	30	20	HKED	
N#CCc1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1	542235996	DZQYGHVLJISACC-JOCHJYFZSA-N	409.302	5.533	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cccs2)o1)c1nc(-c2c(F)cccc2F)cs1	543986931	OVBHKXSKTXQSJK-LLVKDONJSA-N	412.442	5.900	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1OC	558342916	YDWUWYAZYVZHAI-GDBMZVCRSA-N	413.543	5.147	30	20	HKED	
Cc1noc(C)c1C(C)(C)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	561460753	XPCLXBSEINQLOX-UHFFFAOYSA-N	409.873	5.274	30	20	HKED	
CN(C(=O)c1cccc(NCc2ccc(Br)cc2C#N)c1)c1ccccc1	561849943	AFETTWDWEBYDJG-UHFFFAOYSA-N	420.310	5.209	30	20	HKED	
CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	573242233	GCNLTWXYVNBUCN-RAIGVLPGSA-N	421.303	5.746	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(-c2cccnc2)noc1C	575165975	QIMAQOPHOLDXJY-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	578562142	QTYKHZDGHYWZCQ-QGZVFWFLSA-N	411.889	5.282	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1	578929124	BIFZOGAZBXGVIK-UHFFFAOYSA-N	409.496	5.390	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1	581394705	XBEGBNCTGUBAFI-IBGZPJMESA-N	415.331	5.015	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H]1CCOC(C)(C)C1	583052506	CITVEAOORAHGLW-SFHVURJKSA-N	411.477	5.301	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(COc2cc(F)cc(C#N)c2)cs1	588831561	YUNZYDCLPQGWSQ-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cs1	589504361	RPZLLYHLLSUWPK-HXUWFJFHSA-N	419.525	5.211	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1C	603758671	AHDFNRGNWCVQJB-NRFANRHFSA-N	417.896	5.515	30	20	HKED	
COc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1O	603807809	UXCHEJOWCRNLDY-LJQANCHMSA-N	421.884	5.031	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCCOC1CCCCCC1	605364568	WROODOITZZAAFZ-UHFFFAOYSA-N	405.539	5.014	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	609028347	WOUDMIYCULTNMN-FQEVSTJZSA-N	405.523	5.149	30	20	HKED	
N#CCCn1cc(CNCc2nc3cc(Cl)ccc3s2)c(-c2ccccc2)n1	609598715	BLKKNNBHVOTXSN-UHFFFAOYSA-N	407.930	5.017	30	20	HKED	
Cc1ccc(C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(C)C)c2ccccn2)cc1	609687605	SRFYZVJYMCXNHK-QFIPXVFZSA-N	414.509	5.154	30	20	HKED	
C=CCN(C(=O)c1cc2occc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609853151	AVKKDCLNBATZCB-UHFFFAOYSA-N	411.464	5.359	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](Cn2cccn2)c2ccccc2)cc1	610162998	CCIZTKUOZAOBNJ-HSZRJFAPSA-N	423.476	5.110	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)ccn1	610956982	HODNBAPMSIFIBF-UHFFFAOYSA-N	417.925	5.206	30	20	HKED	
C[C@H](c1ccc(Br)cc1)c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1	615133048	IMLODTJVINRYPV-KUHUBIRLSA-N	423.314	5.197	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2ccccc2)c1	726572544	AFSTZGKCOBQLNK-UHFFFAOYSA-O	413.566	5.477	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)cc1	727267297	SGBNGBLLRKZCGU-QXMHVHEDSA-N	401.491	5.019	30	20	HKED	
COc1cc(C=NOCc2nc(-c3ccc(C(C)C)cc3)no2)ccc1OC(F)F	727411679	KSHRYYHPXSIVEM-UHFFFAOYSA-N	417.412	5.021	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	727626748	FGJZVIHHDGQIDU-QHCPKHFHSA-N	414.505	5.299	30	20	HKED	
CCc1c(C)sc(NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c1C#N	727790853	VTGJRVNJMMXMGU-UHFFFAOYSA-N	416.909	5.089	30	20	HKED	
Cn1c(CC(=NOCc2csc(C(C)(C)C)n2)c2ccccc2)nc2ccccc21	730100138	AMYGKWXLRFDCJE-UHFFFAOYSA-N	418.566	5.491	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1	733030628	GWPVPPSKLZGMAK-URXFXBBRSA-N	417.459	5.989	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC	733229646	FTSLDSLDYRAPAT-JOCHJYFZSA-N	406.526	5.354	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	733638122	SYTWHYHEJTZFKU-UHFFFAOYSA-N	400.910	5.523	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=S)Nc2ccc(Oc3ccccc3)cc2)c1	733755572	VMLVLOYEYBUTIA-HXUWFJFHSA-N	417.534	5.646	30	20	HKED	
CCNC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	734998838	XWICGBBDFTXAAI-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
C=CCN(C(=O)c1nc(-c2ccccc2F)oc1C)c1nc(-c2ccccc2)cs1	737473026	RXPYPOOGKIWJQG-UHFFFAOYSA-N	419.481	5.745	30	20	HKED	
COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1OC	740764542	YBYJAWYPTCSZQJ-ZHACJKMWSA-N	410.901	5.115	30	20	HKED	
COc1cccc(/C=C\C(=O)c2ccc(SCC(F)F)cc2)c1OC(F)F	741840936	BUGKUHQYJABFQV-YFHOEESVSA-N	400.393	5.550	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)c2)c1	744027253	OCQINIHLNBYTIM-JOCHJYFZSA-N	420.578	5.367	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)cc1	744028205	IEMPMNMOOWPECR-RNUYOQPASA-N	400.400	5.019	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccccc1C(F)(F)F	744029135	OQWURYPIAMMERF-KSSFIOAISA-N	416.443	5.281	30	20	HKED	
Cc1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1NC(=O)c1ccccc1F	749064443	UTABAGUGZYGOOK-MRXNPFEDSA-N	402.425	5.176	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCC2)ccc1C	749488108	SIQLRWZIKPBUSA-XMMPIXPASA-N	410.517	5.720	30	20	HKED	
C=CCc1cc(CN[C@@H](c2cccnc2)c2ccc(F)c(C)c2)cc(OC)c1OC	753680823	YREOUVSSOIOOEG-XMMPIXPASA-N	406.501	5.154	30	20	HKED	
C#CC[C@@H](NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1	757059394	RERNBNDYMYGLKK-NTKDMRAZSA-N	411.505	5.064	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1	759429924	CQKBJVAGRCQOHM-AWEZNQCLSA-N	418.321	5.098	30	20	HKED	
Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1	767762269	HPRYYECXGDXDKB-PZJWPPBQSA-N	422.598	5.380	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1	770576912	QLJLFPKGQNHXRY-SLQAJWMNSA-N	404.535	5.038	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc2nc(Cl)sc2c1	772864699	OOCSXCJEUICAIO-NSHDSACASA-N	423.972	5.145	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	772983556	KVMLYPVFUILOAF-TZIWHRDSSA-N	421.541	5.797	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c12	780153309	WWUJTNXGTCDLDR-AWEZNQCLSA-N	416.437	5.149	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccc(F)cc2)cc1	780671187	SDMFZMOWAZEFLW-QMHKHESXSA-N	419.456	5.036	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CC2CCC(C(F)(F)F)CC2)cc1	783358151	YHZSNPZQKCXRMH-MRWWZRLISA-N	408.464	5.606	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)CC(C)(C)C#N	783858338	LGZWMPQEEQPSSF-GFCCVEGCSA-N	407.333	5.425	30	20	HKED	
COc1cc(F)c(C(=O)/C=C\c2cnc(-c3ccc(Cl)cc3)s2)cc1OC	789141107	AGCOYDITCFBIQS-FPLPWBNLSA-N	403.862	5.516	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1	791741806	JFFGRNCMRCHMBG-UHFFFAOYSA-N	409.530	5.462	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(Br)cc2F)C2CC2)c1	794808856	CRJZNPOUFUKEEH-UTKZUKDTSA-N	417.322	5.510	30	20	HKED	
N#C[C@@H](C(=O)CCc1cnc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1	796669018	CDVPCMMUUVEBDA-INIZCTEOSA-N	419.456	5.446	30	20	HKED	
COCCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	799905574	XAPKCDXURUKSFJ-VEYVCITQSA-N	418.006	5.072	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)o1	805867521	JXKZQZUYPSIDCC-LBPRGKRZSA-N	415.465	5.183	30	20	HKED	
CC(C)n1ncc2c(C(=O)OC[C@H]3CC[C@@H](C#N)CC3)cc(-c3ccccc3)nc21	809092095	XBSRLRMFBWBYTJ-HDICACEKSA-N	402.498	5.166	30	20	HKED	
N#Cc1c(F)cccc1/C=C(/Cl)c1nc(O)c2c(-c3cccs3)csc2n1	811687803	RDVOQCTUSRQWRE-NTUHNPAUSA-N	413.886	5.873	30	20	HKED	
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cc(Br)cc(Cl)c1O	815636061	OCHAWQRLWWLXTL-UGSOOPFHSA-N	407.739	5.894	30	20	HKED	
CN(C)C(=O)c1ccc(Cl)c(NCc2cccc(OCc3cccc(C#N)c3)c2)c1	863996358	YNFREYSMVGIJLK-UHFFFAOYSA-N	419.912	5.105	30	20	HKED	
Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccccc3SCC#N)cc2)c1	906486835	QFJFOHHCDBZKRU-UHFFFAOYSA-N	404.560	6.323	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(Br)cc1	912828013	CEIVDHNRAFSYBM-UHFFFAOYSA-N	403.711	5.102	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C1/S/C(=N/C2CCCC2)NC1=O	914557459	FZDYFHZBBSEHFO-SFQUDFHCSA-N	414.962	5.152	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1	915100346	VNUBKLNOLVPLFD-IBGZPJMESA-N	421.472	5.687	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)nc(C)n1	915103243	NKVBNZWCXAOGBF-NFBKMPQASA-N	421.953	5.446	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1	915354055	UIJRQNZPDBLFGM-BJKOFHAPSA-N	415.468	5.087	30	20	HKED	
C#Cc1cccc(NC(=O)N[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)c1	916673823	OBMQFDPMVNMLFA-GOSISDBHSA-N	400.478	5.138	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc3c(s2)CCCC3)cc1	916679569	SCBNFYLFZFGERX-QFIPXVFZSA-N	401.535	5.604	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	916904894	KCJRVIDDLQDVKA-AVCMKVNGSA-N	416.864	5.493	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	916907280	LSHIOHSCGCEEIQ-JTSKRJEESA-N	420.553	5.224	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1OC	916931287	PBYHLBWHILPYNL-AVCMKVNGSA-N	416.477	5.145	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3ccccc3)c2)cc1Cl	916937270	BSIOJYIEYTUCIX-LJQANCHMSA-N	420.852	5.102	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F	917042303	DWJBJOMDDBUDAX-LXKVQUBZSA-N	421.325	5.220	30	20	HKED	
N#C[C@H](C(=O)c1c(Cl)nc2ccccn12)c1nc2cc(C(F)(F)F)ccc2s1	917042883	IKWFYSQNFFKWQN-SNVBAGLBSA-N	420.803	5.106	30	20	HKED	
CCOc1cccc2c1OCC(C(=O)[C@@H](C#N)c1nc3cc(Cl)ccc3s1)=C2	917046448	CTJMRYYJNOVLLQ-OAHLLOKOSA-N	410.882	5.001	30	20	HKED	
Cc1nn(C)cc1C(=O)/C=C\c1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl	917520681	WUIIIDNMQKQSCI-FPLPWBNLSA-N	423.731	5.138	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	917804250	ODHRHDWVOPITSP-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
C[C@H](Nc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1C#N	917938923	NEHUIXRHNJHPNK-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N(C)Cc2cccc(C#N)c2)cc1	918543263	GLJQUFOPKNCMLD-UHFFFAOYSA-N	417.534	5.268	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccccc1C#N	920670517	FZNOUBGIYXKWOI-CQSZACIVSA-N	412.898	5.232	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC(=O)C1(C#N)CCCC1	920840621	AGTQJUNSEQCLLX-UHFFFAOYSA-N	416.399	5.256	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1828828334	JBLOCPUQLGBTOQ-FGZHOGPDSA-N	418.597	5.047	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(C)c(F)c1	11083085	XWEZPCOXBBHCSG-UHFFFAOYSA-O	421.561	5.652	30	20	HKED	
CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	51285696	HJIYYKDDTFIJTF-CQSZACIVSA-N	419.337	5.558	30	20	HKED	
C=CCn1c(S[C@H](C)CCc2ccccc2)nnc1[C@H]1COc2ccccc2O1	59739595	WORBSZASIJQGTH-DYESRHJHSA-N	407.539	5.090	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCSc2ccc(Br)cc2)cc1	303046159	XFXNEXWDTYMVCU-UHFFFAOYSA-N	403.345	5.371	30	20	HKED	
COc1cc(C(=O)/C=C/c2csc(-c3cccs3)n2)ccc1SC(F)F	303230595	YIOLOKQVWLTTAO-AATRIKPKSA-N	409.504	6.091	30	20	HKED	
Cc1sc2nc([C@H](C)Nc3cccc(Oc4ccc(C#N)cc4)c3)nc(O)c2c1C	303282111	MLIUUTRLMKHPTE-AWEZNQCLSA-N	416.506	5.851	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Br	303468636	PZCQGDFJIROTRH-ZIAGYGMSSA-N	419.344	5.107	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CSCc1ccc(C#N)cc1	303864081	PMNRVZZJEJQRFY-NRFANRHFSA-N	406.576	5.262	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	426514427	OASAIKTYVMBVLV-LBPRGKRZSA-N	413.733	5.594	30	20	HKED	
CCN(CCC#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1	426529094	JMICVBACSHHCIS-UHFFFAOYSA-N	421.353	5.137	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	432061968	OGUHQBDWEIDELH-JOCHJYFZSA-N	415.497	5.326	30	20	HKED	
Cc1ccnc(Oc2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)n1	433034056	XSFCONPPGUOLDY-OAQYLSRUSA-N	401.470	5.134	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	438080335	LXYRTEWVBNIRSP-RPWUZVMVSA-N	424.504	5.243	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc(C)c1O	438650331	QROWSCHPPZHJOP-UHFFFAOYSA-N	405.429	5.134	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1	440393030	TUGHGAXCYBSQPX-RPLLCQBOSA-N	408.501	5.174	30	20	HKED	
COCc1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(-c2ccccc2)s1	440441194	HFXVTQXKZADDAH-UHFFFAOYSA-N	409.536	5.021	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)c1C#N	460175039	RGYVIXNPAPBDPW-UHFFFAOYSA-N	417.962	5.771	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	462554630	TZLNEVZVLFOJJH-ZBEGNZNMSA-N	400.322	5.209	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3SCCc4ccccc43)cc2F)c1	463476125	OWWLGPDSOWNFBS-HSZRJFAPSA-N	418.493	5.245	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	463820840	YWJSFZCXNGFIEY-HXOBKFHXSA-N	403.913	5.348	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@](C)(C#N)C(C)(C)C	464169271	ONOIXFXSFYRYSS-RBZFPXEDSA-N	405.951	5.061	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464402594	ABGGZKZSGMMVQM-MRXNPFEDSA-N	423.419	5.867	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	464881069	QFNYVZNZXLWIJA-QFIPXVFZSA-N	420.484	5.209	30	20	HKED	
CCCCOC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1	465084385	OGSFJWYVOZXGPF-UHFFFAOYSA-N	412.917	5.425	30	20	HKED	
N#Cc1cccc(NC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1	466121950	JIFCMJXRUKIRKK-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1	466491605	HKXWETUOIZYYTD-KRWDZBQOSA-N	409.555	5.105	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)c3cn(CCCC#N)c4ccccc34)c2C)c1	469695466	MLQJOZXUUYGCQM-UHFFFAOYSA-N	411.509	5.308	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469745280	PLRODBUPJUNPCB-BLLLJJGKSA-N	409.370	5.226	30	20	HKED	
C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccsc2)O1	470692355	FUPLTNIWSOIXKP-KSFYIVLOSA-N	404.491	5.014	30	20	HKED	
Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)CCc1ccc(C#N)cc1	472015421	BYLSAORVKWPGPL-UHFFFAOYSA-N	421.285	5.169	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(=Cc2cccc(OC)c2)CC1	475579243	UBTWDSWSQWVOOY-UHFFFAOYSA-N	404.554	6.258	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1	476055551	MGHBMEHQLWKGRS-SFHVURJKSA-N	417.896	5.618	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1	476057965	AUIXOUTXSISJAU-OAQYLSRUSA-N	418.928	5.509	30	20	HKED	
CC[C@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(C)c1	477787389	GCRICFQIPYRJKW-IBGZPJMESA-N	420.557	5.085	30	20	HKED	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)o1	477916680	KYBNUALVZXFVBL-UHFFFAOYSA-N	416.868	5.527	30	20	HKED	
CCc1c(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1C(CC)CC	479567814	RLANVAOZCGZQKU-UHFFFAOYSA-N	422.558	5.370	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C	480601015	NBXAHKVNGINBRU-UHFFFAOYSA-N	419.978	5.316	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCSCC2)cc1C	480640296	VHEGIFYNVZOSPP-UHFFFAOYSA-N	422.019	5.483	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccc(C)cc1	481370093	JDTVQEWSJZZKKE-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C=C(C)[C@@H](NCc1coc(-c2ccc(Br)cc2)n1)c1ccc(F)c(F)c1	481618059	ZRUMUXTZBIMWDV-LJQANCHMSA-N	419.269	5.789	30	20	HKED	
CC(C)c1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	485175014	QULSMATWPZZPJN-HXUWFJFHSA-N	421.932	5.816	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNc2cccc(C(=O)N3CCSCC3)c2)cc1	487366215	NZVRFPWZORWNNL-UHFFFAOYSA-N	413.546	5.026	30	20	HKED	
C=CCn1c(SCc2ccccc2C(C)(C)C#N)nnc1-c1ccc(OC)cc1	488122268	HBQXPQPGBWSPQH-UHFFFAOYSA-N	404.539	5.233	30	20	HKED	
CCn1c(NC(=O)c2sc(C3CC3)nc2-c2ccccc2)nc2cc(C#N)ccc21	490774362	OMDFFUCEGBAPPO-UHFFFAOYSA-N	413.506	5.181	30	20	HKED	
CCN(C(=O)CNc1ccc(C#N)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1	496576342	YREKAKBMEQAPAL-SANMLTNESA-N	412.537	5.127	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccccc2SCc2occc2C(=O)OC)c1	501160687	DCRBIMTZSOKLRB-UHFFFAOYSA-N	423.490	5.176	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(Cc2cccc(F)c2)n1	503149331	BIDCPKIWQULQSR-AWEZNQCLSA-N	411.527	5.377	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H](c2ccccc2Cl)C(C)C)c1	503254687	JGKXYKVFZWILOR-OAQYLSRUSA-N	414.933	5.089	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1	505825730	KNFFGIDQMDTRKO-LJQANCHMSA-N	422.916	5.001	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccccc2Cl)CC1	510080144	WTZHSKBXDRHGHL-INIZCTEOSA-N	411.958	6.055	30	20	HKED	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cc2ccccc2s1	510663873	GWGGHFQUDOQHIQ-OAHLLOKOSA-N	407.514	5.006	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510693497	QXKZSUYYFJGCTG-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
COc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)[nH]c2ccccc12	510872588	REEPEDZJXZYHEI-UHFFFAOYSA-N	411.461	5.188	30	20	HKED	
O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	512380459	BTKZXTIKKADHDE-HLLBOEOZSA-N	411.361	5.471	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F	513083213	NURPLRILVHJDJA-LBPRGKRZSA-N	412.914	5.017	30	20	HKED	
CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	520176960	VYTDCOUKMJFSII-GOSISDBHSA-N	405.420	5.504	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	520388265	KHFROEDFIYWSFA-QYZOEREBSA-N	421.610	5.495	30	20	HKED	
N#Cc1ccc(/C=C/c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1	521043609	PAKHFHLPDBORPR-OUKQBFOZSA-N	403.445	5.177	30	20	HKED	
Cc1csc(N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccc2)n1	521092422	ZFFSOEKBXJKTOX-UHFFFAOYSA-N	412.474	5.489	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCc1c[nH]c2ccccc12	521661164	HMUXXYSLKGILBR-UHFFFAOYSA-N	411.530	5.553	30	20	HKED	
CN1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccc(F)cc21	523142128	UZHNSYJTQIXMQM-UHFFFAOYSA-N	415.468	5.171	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1c(C)cccc1-c1nc2ccc(F)cc2n1C(C)C	525104334	WZCPYGROMCMWBU-QGZVFWFLSA-N	409.505	5.651	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c1	525568210	DUIGLDCDCPJNOD-UHFFFAOYSA-N	415.921	5.467	30	20	HKED	
Cc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cccc1-c1ccccn1	533659964	HJZFMKREFFHBPC-UHFFFAOYSA-N	411.505	5.049	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)c2C)c1	533771773	NUVOHBKPXXMVBK-SFHVURJKSA-N	415.493	5.337	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)cc1Cl	534151471	OUOPIAIEPSMFET-OAQYLSRUSA-N	424.909	5.279	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1	536981054	OWJVRAKFIOALPW-UHFFFAOYSA-N	415.459	5.918	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)c3ccc(C4(C#N)CC4)cc3)s2)cc1	537465502	GFFYHARIXFIFKM-SFHVURJKSA-N	415.562	5.815	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@H](C#N)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1	540777519	HBSNKSVEBLHDGD-GOSISDBHSA-N	415.522	5.243	30	20	HKED	
N#Cc1ccc(CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C2CC2)cc1	541319999	ZHBFXTOHNPQKRF-UHFFFAOYSA-N	408.716	5.122	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)c(Cl)c1Cl	542561845	FFADPQQVZVTPDF-SECBINFHSA-N	414.086	5.034	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C)c2nc(-c3ccccc3)cs2)c1	542589910	IECJQRKRPIBTFS-IBGZPJMESA-N	418.566	5.024	30	20	HKED	
N#CCCn1cc(CNc2ncc(Cc3ccc(F)cc3)s2)c(-c2ccccc2)n1	542748256	BXGOZQIUMXZWKO-UHFFFAOYSA-N	417.513	5.262	30	20	HKED	
Cc1cc(-c2noc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)ccc1F	542946610	WFQHYXQTALWTFR-KRWDZBQOSA-N	412.468	5.574	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](COCC)C1	549322125	RKLDATIXOBICMZ-PMACEKPBSA-N	420.557	5.010	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnoc1-c1ccc(F)cc1Cl	553103819	ZJEJIHVHRYINFO-UHFFFAOYSA-N	416.884	5.130	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	562142151	IZQXICOQZHLCLS-UHFFFAOYSA-N	417.465	5.046	30	20	HKED	
CCCOC1(c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)CCCCC1	565743866	OEASXEGCZWIMER-UHFFFAOYSA-N	412.509	5.050	30	20	HKED	
COCCCOc1ccc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc1	578099135	DPKOAGKQJXLYOD-UHFFFAOYSA-N	416.481	5.077	30	20	HKED	
CC(C)(NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)c(F)c1	589365803	SYPFLJREZXWWCO-UHFFFAOYSA-N	408.408	5.081	30	20	HKED	
CCc1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2	598583469	GDNVGSQSHWSJDF-HNNXBMFYSA-N	417.534	5.384	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(Oc2ccccc2)cc1	598773491	SSQBIYISVVUYLZ-LJQANCHMSA-N	415.493	5.235	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)cc1	603814538	DLOQNSLUVJCLQN-UHFFFAOYSA-N	424.422	5.532	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	603891686	CPZLBSPQSZMABA-QGZVFWFLSA-N	418.518	5.265	30	20	HKED	
Cc1ccc(-n2c(S[C@H](C#N)Cc3ccccc3)nnc2-c2ccccn2)c(C)c1	603917930	OBBPTFINTQHWSU-FQEVSTJZSA-N	411.534	5.173	30	20	HKED	
N#CCCCOc1cccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	608860140	CRWXFRKUNNUBFW-GJZGRUSLSA-N	408.386	5.368	30	20	HKED	
COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	609073752	XZYHJEQJISNVKN-UHFFFAOYSA-N	423.472	5.393	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609078195	GIQHKAJZQQNFFT-GOSISDBHSA-N	415.493	5.337	30	20	HKED	
Cc1ccccc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	609387087	KJJSVWVXNUZSPU-CQSZACIVSA-N	407.461	5.459	30	20	HKED	
CC(C)(C)OCc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1	609433222	KRKKKIGOVZKWHD-UHFFFAOYSA-N	414.549	5.742	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](c4ccco4)C3)cc2Cl)c1	609556583	YSMWAMRFLIJDMG-GOSISDBHSA-N	421.884	5.405	30	20	HKED	
COc1ccc2c(c1)c(C(=O)Nc1ccc(CC#N)cc1)c(C)n2Cc1ccccc1	609972415	BKPUQDQTSIAEBO-UHFFFAOYSA-N	409.489	5.325	30	20	HKED	
COc1cc(C[S@@](=O)Cc2c(C)cccc2C)ccc1OCc1cccc(C#N)c1	610012650	YTZNIQNMPYCXEZ-SSEXGKCCSA-N	419.546	5.212	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1	610742267	BMVBYSQFODRRKN-UHFFFAOYSA-N	424.500	5.321	30	20	HKED	
CC(=O)N(c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1)c1ccc(C)cc1C	611386599	PHGBWWSMDVESHY-QGZVFWFLSA-N	404.539	5.167	30	20	HKED	
C=CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC	613320465	ZHHPKCIZTIVFLE-QGZVFWFLSA-N	424.909	5.527	30	20	HKED	
Cc1cc(Cl)c2ncc(C#N)c(N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c2c1	619792471	AAWXXCAHGWMKCI-VXGBXAGGSA-N	407.745	5.245	30	20	HKED	
O=C1/C(=C\c2ccc(O)cc2)CCc2nc(-c3ccccc3Br)sc21	730437116	YGEMXMHMJCZPGV-QBFSEMIESA-N	412.308	5.491	30	20	HKED	
N#Cc1ccc(CCC(=O)O[C@@H](c2ccc(Br)cc2)C(F)(F)F)cc1	731147960	SOXYAUKCZLIULO-KRWDZBQOSA-N	412.205	5.100	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2	732436470	STUMCCGSROFPKF-UHFFFAOYSA-N	421.541	5.200	30	20	HKED	
N#CCOc1ccc(COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1	733392039	IZCVNNIEPYHCPS-UHFFFAOYSA-N	400.459	5.223	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Cl	735241873	JXTJZOIQSBYBBL-UHFFFAOYSA-N	424.869	5.721	30	20	HKED	
C=CCn1c(SCc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1F	735414374	WHGPUOPOOUOKHO-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	741113087	NBDHQRRWAYRNAK-KUHUBIRLSA-N	419.531	5.047	30	20	HKED	
COc1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1	741455403	JUQOYCZLZFJGDN-UHFFFAOYSA-N	420.925	5.445	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)N[C@H]2CCOc3ccccc32)cc1	741496126	UEVMDLWYQMVBCK-FQEVSTJZSA-N	401.491	5.161	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)s1	741700905	IIACAXVUQNSQGA-QGZVFWFLSA-N	406.555	5.126	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1	741934519	VDWNVFFNIMQCIY-HOJAQTOUSA-N	403.309	5.094	30	20	HKED	
CCCCCCSc1nc2ccccc2n1Cc1nnc(-c2cccc(C#N)c2)o1	742352657	VMNFBMMGNKXUTA-UHFFFAOYSA-N	417.538	5.679	30	20	HKED	
N#CCSCCCSc1nnc(Nc2ccc(SC(F)F)cc2)s1	745974927	ZCYIRGJOIGESPV-UHFFFAOYSA-N	404.558	5.335	30	20	HKED	
COc1ccc(-c2ccc(/C=C/C(=O)c3c(C)nn(C(C)C)c3C)o2)c([N+](=O)[O-])c1	746346185	LZSSWQXJNNLPFX-JXMROGBWSA-N	409.442	5.154	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2nc(C(C)C)cs2)n1	747193715	NWINHUSGAGPUID-INIZCTEOSA-N	413.593	5.814	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[C@H](O)c2ccccc2)cc1Cl	750590021	KQFXKWVHXVJPIG-GMAHTHKFSA-N	419.912	5.241	30	20	HKED	
COc1cc(/C=C\C(=O)c2cnn(-c3ccccc3)c2C)ccc1OCC(F)(F)F	750904123	FGYFAKHYGDPDAZ-NTMALXAHSA-N	416.399	5.027	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C[C@H](C)c3ccccc3C2=O)cs1	751535296	IRTQUVVGZMIWCI-QXPQOBGOSA-N	406.482	5.740	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1C#N	752218439	DCJHABNCHKAIBA-UHFFFAOYSA-N	421.482	5.258	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)O[C@@H](C)C(C)(C)C#N)c12	753622564	ZJENRWUQVWETLX-LBPRGKRZSA-N	417.387	5.312	30	20	HKED	
CC(C)(C)c1cnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1	759719649	ZUHVUAAJNMJYDZ-CQSZACIVSA-N	413.593	5.533	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)Nc2ccc(F)cc2OCC#N)cc1)c1ccccc1	761662349	BVVFNWWRSGGMFQ-MRXNPFEDSA-N	404.445	5.545	30	20	HKED	
CC(C)c1nc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c2ccccn12	762600098	HMYZTHGNOMHRAY-CCEZHUSRSA-N	422.550	5.070	30	20	HKED	
Cc1csc(SCc2c(C(=O)Nc3cc(CC#N)ccn3)oc3ccccc23)n1	764205633	HXEJPACGMWRJGN-UHFFFAOYSA-N	420.519	5.203	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCc1ccccc1Br	766236019	BZKKNVDULDGNDM-KRWDZBQOSA-N	423.310	5.153	30	20	HKED	
CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)c2cc(C#N)cs2)cc1	766595134	PPGNLBRJDFXBAC-UHFFFAOYSA-N	412.518	5.081	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1	768153857	MZWOMYKUYXOSOT-FQEVSTJZSA-N	420.944	5.185	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(OC)ccc3nc2C)cc1	770105412	BLAXGVUBVUISRF-NYHFZMIOSA-N	415.493	5.027	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1	770527614	IILMSOFLAPNUSJ-GDBMZVCRSA-N	407.366	5.875	30	20	HKED	
O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771095425	ASOCSSYGWVFHIE-GJBLVYBDSA-N	420.893	5.032	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)c(F)c1	774020321	CCOBTBOWFXOHQN-NFBKMPQASA-N	421.447	5.129	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccc(Cl)cc2)n1	774332763	AARFYSPAYOSVEO-HNNXBMFYSA-N	404.825	5.033	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	776081700	PGLVROSYNGEFPN-IBGZPJMESA-N	403.432	5.784	30	20	HKED	
N#CCOc1ccc(CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc1	778454671	MPEFJTHCTKOCDY-FQEVSTJZSA-N	403.295	5.122	30	20	HKED	
Cc1ccc(C(C)C)c(OCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1	780315147	ODLBJIOKPIRGJN-KRWDZBQOSA-N	411.452	5.509	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	780677267	UYANPKXLXQNRCO-OYHNWAKOSA-N	423.875	5.681	30	20	HKED	
CC(C)c1nc(C(=O)OCCCC(C)(C)C#N)nn1-c1c(Cl)cccc1Cl	783482767	XGRZLRKIWWBBMG-UHFFFAOYSA-N	409.317	5.184	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1	792122036	YCQLQZFEOOGYPV-INIZCTEOSA-N	410.905	5.239	30	20	HKED	
C=CC[C@H](OC(=O)c1csc(-c2ncccn2)n1)c1ccc(Cl)c(Cl)c1	797553140	CUQRWVYVAVBHRL-HNNXBMFYSA-N	406.294	5.381	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1	804558527	FCNRPIGFUBOANH-MDZDMXLPSA-N	408.933	5.284	30	20	HKED	
N#CCSCCCOC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12	805360982	PRDFWBFMJMRAHX-UHFFFAOYSA-N	419.531	5.315	30	20	HKED	
N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1	815789889	QRFIHIBMFRTFQV-OAQYLSRUSA-N	411.461	5.076	30	20	HKED	
O=C(CON=Cc1ccccc1OC(F)F)Nc1ccccc1Oc1ccccc1	849613646	HORFCFCJUUECIU-UHFFFAOYSA-N	412.392	5.070	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2ccc(C(F)(F)F)s2)no1	904967686	PFFSFZONQJAFRK-JTQLQIEISA-N	416.425	5.077	30	20	HKED	
CCCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OCC	915085399	BGAYGZAHHLVEHF-HSZRJFAPSA-N	414.505	5.782	30	20	HKED	
CCCCOc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1	916283596	JLOKRRHZOKKFBW-UHFFFAOYSA-N	417.534	5.495	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c2)c1	916911738	WYAMUWJBQSYHRX-HXUWFJFHSA-N	418.880	5.189	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3)o2)cc1	916955985	WJVWLKIXFMDUGE-LAUBAEHRSA-N	415.493	5.135	30	20	HKED	
COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	917030949	SHTSDQZQZABJHF-XDHOZWIPSA-N	401.418	5.005	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccoc1C	6911014	SWRUZWDHGQMEFU-UHFFFAOYSA-N	416.934	5.034	30	20	HKED	
Cc1c(C#N)c(SCC(=O)Nc2ccccc2Cc2ccccc2)nc2c1CCC2	22121422	MTHFXKDAMNTXTF-UHFFFAOYSA-N	413.546	5.072	30	20	HKED	
C=CCn1c(SCc2csc(C(C)(C)C)n2)nnc1-c1ccccc1OC	30924132	VCXQZWSGKYSESN-UHFFFAOYSA-N	400.573	5.186	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)oc1C	54137575	LRVZWXNEHCDHKU-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc(-c2ccccc2)cs1	64682341	JSQNKLWOSGLSNS-OAHLLOKOSA-N	405.479	5.563	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3occc3-c3ccccc3)c2)c1	65504442	QSVDVMXOBBDNJY-UHFFFAOYSA-N	407.429	5.323	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc(-c2ccncc2)cs1	195662464	HWMWYGFOFXPWET-MRXNPFEDSA-N	405.479	5.563	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(C(C)(C)C)cs1	237597577	YJASWTWEBQJFOB-KRWDZBQOSA-N	405.567	5.742	30	20	HKED	
CC(C)C1(C)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	429361252	DLQJZAUTRQSRMP-UHFFFAOYSA-N	405.542	5.622	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(C#N)cc1	430318281	SXQXPFLBVDMUJT-UHFFFAOYSA-N	414.292	5.573	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1nccc2ccccc12	430598088	BQUHYCFFDIXQNM-INIZCTEOSA-N	407.260	5.217	30	20	HKED	
C=CCC[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1	435274226	HJOMVQQOGKCRSP-SFHVURJKSA-N	424.595	5.257	30	20	HKED	
N#CCCn1cc(CNCC2(c3ccc(C(F)(F)F)cc3)CC2)c(-c2ccccc2)n1	436416927	ZGJKPAULDYFLMW-UHFFFAOYSA-N	424.470	5.304	30	20	HKED	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	438157223	ILXCTPYCIOOYOB-IFMALSPDSA-N	418.541	5.283	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2c(Cl)cccc2Cl)c(OC(F)F)c1	439548709	YTMGFGKPRCCYHY-UHFFFAOYSA-N	417.264	5.338	30	20	HKED	
N#CCC[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccccc1	439666244	NZPGDRJZCSQFAC-SFHVURJKSA-N	404.495	5.167	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1	440746788	KGGAMCFULDBVJR-UHFFFAOYSA-N	417.490	5.799	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1	442057613	CQCDLWFYQJKUDR-GFCCVEGCSA-N	406.255	5.004	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)no1	442606570	PDBGDBGWKZCQBV-MRXNPFEDSA-N	416.506	5.425	30	20	HKED	
COCCCOc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	442684546	XHPICIDGKQETDU-HXUWFJFHSA-N	406.507	5.024	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1cccnc1	443534628	WWCDWMGPUDCWBI-CQSZACIVSA-N	423.929	5.688	30	20	HKED	
Cc1cc(C)n([C@H](C)CC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)n1	460341975	DSOHBAXQLZQGES-GOSISDBHSA-N	406.917	5.210	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1ccc(Br)s1	464933150	FWVZQVVIURUSED-MSOLQXFVSA-N	417.372	5.132	30	20	HKED	
CC[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	465267469	YOPUXUVJJIYRDF-JTQLQIEISA-N	400.319	5.201	30	20	HKED	
Cc1ccc(-n2nc(C)c(NC(=O)CSc3ccc(C#N)cc3Cl)c2C)cc1	465389655	UMUALYMCRHDPEZ-UHFFFAOYSA-N	410.930	5.053	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	466072767	DGCILZVMVFXDBZ-BEFAXECRSA-N	424.035	5.244	30	20	HKED	
C=CCCN(C)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	466571842	GCJAFELDTHRZMP-UHFFFAOYSA-N	405.420	5.306	30	20	HKED	
CC(C)C[C@@H](CCO)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	467610466	KAVWCGMQUXLXNJ-DYESRHJHSA-N	413.949	5.162	30	20	HKED	
O=C(c1csc(-c2ccc(F)c(F)c2)n1)N(CCC(F)(F)F)CC(F)(F)F	468549380	VNUBUDUFBXBMIS-UHFFFAOYSA-N	418.309	5.045	30	20	HKED	
C=CCN(C(=O)c1ccc2oc(C)nc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	470737579	QBRSRWLTJGIGBP-UHFFFAOYSA-N	420.450	5.001	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	475550590	OYHQQZGXXRNTDB-NRFANRHFSA-N	405.586	5.667	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCCc2cccnc21	475940086	QBIUAADWQFRNFJ-NRFANRHFSA-N	415.493	5.055	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	478664841	BWSPUIMNISEJJI-FZKQIMNGSA-N	403.910	5.091	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C1CCCCC1)C(F)(F)F	481284872	MCLRGEKQDXCHBJ-GOSISDBHSA-N	400.489	5.063	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1	481291370	XMZWCXDPSVZCLD-UHFFFAOYSA-N	413.301	5.088	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1cccs1	481392790	VUUWYTCNCSTNGM-OAHLLOKOSA-N	412.584	5.435	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1	481483363	JBRKFLNMUBOQQD-AQYVVDRMSA-N	416.521	5.666	30	20	HKED	
Cc1sc(NC(=O)c2ccc(C(C)(C)C#N)cc2)nc1-c1cccc([N+](=O)[O-])c1	483342084	BZHMSORZYUWTSJ-UHFFFAOYSA-N	406.467	5.080	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1	483563668	QUZFXNYCYIADTH-NRFANRHFSA-N	414.509	6.014	30	20	HKED	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	484193066	UUCIXYVJNLSTGF-CYBMUJFWSA-N	408.889	5.476	30	20	HKED	
Cc1c(C(=O)N[C@H](CCCC#N)c2ccccc2)oc2ccc(Br)cc12	487620245	SSEDJRJGYBRUKI-GOSISDBHSA-N	411.299	5.669	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](CCc1ccccc1)C(F)(F)F	488405683	UPZVECXECGHBTK-NJDAHSKKSA-N	415.459	5.031	30	20	HKED	
Cc1ncsc1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C	489197734	SOTIMXYHOXPRSE-UHFFFAOYSA-N	412.540	5.042	30	20	HKED	
N#CCc1ccc(NC(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1	494783174	FSBJVJITUZYUAS-HSZRJFAPSA-N	419.912	5.486	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	497573960	CAJIVWUQNLQDGF-CQSZACIVSA-N	408.914	5.444	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	502158244	ZIXNJRVNCHZSRA-JTHBVZDNSA-N	418.928	5.363	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1	504923171	FKCVXNPLSODFAS-UHFFFAOYSA-N	423.822	5.373	30	20	HKED	
N#Cc1ccc(CSc2nnc(NCc3cscc3Br)s2)cc1	508501847	GLMHDPBMOUQPEZ-UHFFFAOYSA-N	423.386	5.138	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c(Cl)c1	510188829	FLYMUPHXYSXBNS-HNNXBMFYSA-N	407.926	5.701	30	20	HKED	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc(OCc2ccccc2C#N)c1	510822617	WETQZHFIJQKMSF-MRXNPFEDSA-N	404.432	5.186	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510861242	XCCGYEQYNLTRJY-JOCHJYFZSA-N	417.534	6.262	30	20	HKED	
COc1ccc2cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)[nH]c2c1	516126888	KCIWBXDPXWYTKJ-UHFFFAOYSA-N	413.452	5.030	30	20	HKED	
CC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(C)cs1	517116059	YYNACZPJMITLNE-NRFANRHFSA-N	420.538	5.369	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc(F)ccc1F	517451790	VQDJCDYPAZPQTI-KGLIPLIRSA-N	406.523	5.792	30	20	HKED	
CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	520927049	KBEJIVXSTXDICC-UHFFFAOYSA-N	406.511	5.033	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1	521821590	LDYMEKCMMYUQAO-HNNXBMFYSA-N	423.866	5.298	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N	523754791	XYVWVIMZVRLJSW-SNVBAGLBSA-N	406.408	5.716	30	20	HKED	
COCc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	524392908	FYJHHDVQOYOKIW-UHFFFAOYSA-N	406.869	5.189	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cccc2Cl)nnc1-c1cccc(C)c1	535256042	ZCDPDAMMJQTMDN-UHFFFAOYSA-N	412.946	5.132	30	20	HKED	
COc1ccc([C@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1	537027022	DSWNTLUCMCQAKK-SFHVURJKSA-N	402.494	5.005	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCOC3)c2)cc1	540128194	KZSQFGMJWKLXPR-GBXCKJPGSA-N	413.477	5.250	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4cccs4)o3)n2)cc1	543984645	PAWJZCZRIUHUHR-HNNXBMFYSA-N	401.472	5.493	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)c1ccncn1	544814570	AIAXTIZIKBAAPJ-MRXNPFEDSA-N	400.290	5.425	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3cccnc3N3CCCCC3)no2)c2ccccc21	545621881	LUSLHHBFKFZWIC-QXMHVHEDSA-N	424.508	5.161	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	546709005	MYROTWOIMUUTQC-DJJJIMSYSA-N	403.404	5.201	30	20	HKED	
CC(C)(c1noc(-c2cnc(C(F)(F)F)c(C#N)c2)n1)c1ccc(Cl)cc1F	551054080	VGVYLGHZUCHUOW-UHFFFAOYSA-N	410.758	5.140	30	20	HKED	
C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1c1nc2ccccc2s1	558447659	ISNCRYYPUVULOH-IBGZPJMESA-N	419.529	5.145	30	20	HKED	
Cc1ccc2snc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2c1	559653110	XRQIGJQORHPONU-UHFFFAOYSA-N	421.469	5.882	30	20	HKED	
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	559859147	LQPHAWONRJZJHR-PXNSSMCTSA-N	405.523	6.409	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1cccs1	560707747	YUWUPMCNYQELJM-UHFFFAOYSA-N	419.531	5.952	30	20	HKED	
Cc1cccc([C@H](C)CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	564377634	HJRLZVSQWBJHIW-GOSISDBHSA-N	412.493	5.044	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc2cc(Cl)ccc2s1	593033538	QNBZHSUFHPAKEZ-UHFFFAOYSA-N	400.931	5.106	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)c1ccccc1	602100550	KPKAWBITXDYFAU-IBGZPJMESA-N	412.489	5.179	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1Cc2ccccc2S1	603532734	OEQQMHNBQHNOBR-HSZRJFAPSA-N	402.494	5.256	30	20	HKED	
N#Cc1ccsc1NC(=O)c1ccc(COc2ccccc2Br)cc1	603806727	CGWVEXZOVNYBMP-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3)nc2)cc1Cl	609164187	IFKGRVOQAAUOKF-OAQYLSRUSA-N	416.912	5.243	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1SC[C@H](C)C#N)c1ccc2c(c1)CCCC2	609384963	ZLLLMGFJPDMWFC-MSOLQXFVSA-N	407.583	5.106	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1	609433361	VZLZFOQKCTYYOQ-CLJLJLNGSA-N	416.496	5.286	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1	610054172	XWWKCCRNYWQGPH-LJQANCHMSA-N	416.525	5.199	30	20	HKED	
Cc1ccc(C2=NN(C(=O)CSc3ccc(C#N)cc3F)[C@H](c3ccco3)C2)cc1	610165800	UQUPRYXDHBDHQB-FQEVSTJZSA-N	419.481	5.069	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4F)o3)n2)cc1	613315394	QACVXGKPKWECPD-QGZVFWFLSA-N	402.450	6.008	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(F)ccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	613319139	QMWYSRHOVRFANN-HNNXBMFYSA-N	412.898	6.307	30	20	HKED	
N#CCn1c(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)cc2ccccc21	619756790	BTXJCOSSZURSMB-QGZVFWFLSA-N	400.335	5.293	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccs1	619855037	HPDSSBPDALAEIE-OFNKIYASSA-N	405.571	5.060	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	622585453	ZQBGZKAOEJQGJV-KRWDZBQOSA-N	421.312	5.141	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1	675130276	LLPNYIOKGFBZGL-KRWDZBQOSA-N	423.419	5.867	30	20	HKED	
C=CCn1c(SCc2ccc(OC(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1	726428903	BFPSSZONXSGVQV-NRFANRHFSA-N	423.538	5.056	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1SC(F)F	727224846	XDXMAALMSUXSAX-UHFFFAOYSA-N	409.889	5.969	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(C)ccc2c1Cl	729189123	WKCIBISFQBJARA-CQSZACIVSA-N	412.898	5.223	30	20	HKED	
COc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC(C)C	731114678	UNVLNQPPYQTWOG-MRXNPFEDSA-N	413.543	5.056	30	20	HKED	
CCOC(=O)c1ccc(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	731317324	CTGKHGSPHBHXPY-UHFFFAOYSA-N	417.490	5.336	30	20	HKED	
Cc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(OCC#N)cc2)c1	731959008	XNALUYHPDSLRGB-UHFFFAOYSA-N	406.869	5.524	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(Sc3ccccc3Cl)cc2)cc1	731979415	DVJSAOQAJCOMRY-UHFFFAOYSA-N	408.910	5.575	30	20	HKED	
CCN(CC)c1ccc(C=Nc2cccc(C[S@](=O)C3CCCCC3)c2)c(O)c1	734979227	MGIWORIQGFKYHD-LJAQVGFWSA-N	412.599	5.570	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1OC	735792619	NFEKXQXGJYEZSU-GOSISDBHSA-N	405.498	5.329	30	20	HKED	
C(=NOCc1ccon1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	740872522	QKNMFNIOHNLBSQ-UHFFFAOYSA-N	414.461	5.383	30	20	HKED	
N#Cc1cc(NCc2ccc(-c3cccc(Cl)c3)s2)ccc1N1CCC(O)CC1	742385980	SBXXFJLJTWFVBH-UHFFFAOYSA-N	423.969	5.513	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3coc(-c4ccc(C)cc4)n3)cc2c1C	748439749	CMJAEBRFADZRDP-HJWRWDBZSA-N	418.474	5.251	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4ccccc4n3)n2)cc1	752173465	DQXPZTQZTVYNHY-ZCPJJFRWSA-N	406.470	5.120	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccncc1	759216855	PPOSFPXMCQGPNZ-LRDDRELGSA-N	416.333	5.882	30	20	HKED	
O=C1/C(=C\c2ccc(Cl)nc2Cl)COC/C1=C/c1ccc(Cl)nc1Cl	761479764	NIJARZNITIRQIK-CBIKUMSCSA-N	416.091	5.157	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C1/CCc2nc(O)ccc2C1=O	769613780	DIOYZTIVEAYSCC-VBKFSLOCSA-N	407.901	5.021	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H](O)c1ccc(Cl)cc1	772679524	UETLBIPEDDSAFZ-HSZRJFAPSA-N	422.887	5.316	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccccc1	777290239	FKSQZFANUMTYJT-SIKLNZKXSA-N	415.493	5.067	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1OCc1ccc(Cl)cc1	780168642	AUEFTNSPCKZXLG-INIZCTEOSA-N	406.869	5.462	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1	780676400	MWAGHDLNRBIGON-OAHLLOKOSA-N	415.946	5.419	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccco3)s2)COC/C1=C\c1cnc(-c2ccco2)s1	789144663	WQDKVEJWPVKQQD-FNCQTZNRSA-N	422.487	5.186	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)O[C@H]([C@@H]3CCCOC3)C(F)(F)F)cc2)cc1	789645701	NEWODUJHIUQCPL-YLJYHZDGSA-N	419.399	5.059	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)Nc1ccccc1SC[C@@H](C)C#N	793461085	MTKOLIILPALTRD-JTQLQIEISA-N	413.540	5.199	30	20	HKED	
C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	796671575	LGBFDPBJABGYRX-AUSIDOKSSA-N	412.489	5.631	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc2cc(F)ccc2s1	796694888	ZCMWAPKTBADAHU-RRFJBIMHSA-N	420.387	5.314	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2c(C)cc(C)cc2O)cs1	799894903	IJJNDJXCHKREGM-JXMROGBWSA-N	406.507	5.355	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	806245482	ZJESODHKMGKOQN-QFIPXVFZSA-N	411.505	5.003	30	20	HKED	
C#CCN(C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)C1CCCC1	810205069	JUEOPYOETHEWQB-UHFFFAOYSA-N	413.880	5.141	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(Br)c(Cl)c1)c1nc2ccccc2s1	810521428	NZRJNAIHXGDEME-LLVKDONJSA-N	405.704	5.131	30	20	HKED	
Cc1ccc(C/N=C(/Nc2ccccc2)N[C@H](C)c2ccc([S@](C)=O)cc2)cc1	848992270	FWYLWKZOFZMQAI-XBBWARJSSA-N	405.567	5.051	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNCc1cccc2cccnc12	915959042	FQIMZGADNQHXAA-UHFFFAOYSA-N	410.308	5.159	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)oc2c1ccc1ccccc12	916936466	LLHRBWSCIJKGEK-QGZVFWFLSA-N	420.827	5.648	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3F)o2)cc1	917517782	KUHYPNMJEZYCQG-BENRWUELSA-N	402.425	5.294	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)-c3ccccc3C4)n2)cc1	920141805	RRVQDJRPXAJQHQ-HSZRJFAPSA-N	417.493	5.743	30	20	HKED	
C[C@H](Cc1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	921130774	CQEHLPNRVVCVKS-DYESRHJHSA-N	416.452	5.144	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3C)CCC2)cc1	1789626423	NIGJQTRGKKHWMZ-UHFFFAOYSA-N	419.569	5.439	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1	1791952075	UGYPBTWHIGGYET-JOCHJYFZSA-N	406.526	5.115	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)C1	1831560297	WJFWFAGRNVTJSM-SSPYTLHUSA-N	414.634	5.179	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cccc3ccccc23)cc1	11125703	AXQAXLOMUQUJKA-UHFFFAOYSA-O	411.550	5.741	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nc2ccccc21	29575403	RTCQOAIFMPQQCL-CYBMUJFWSA-N	416.344	5.104	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccoc1C	30547573	IQFMUFBQYPXWGS-UHFFFAOYSA-N	424.551	5.457	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCOc2ccc3ccccc3c2)cc1	58499348	MYBXAENEORIECB-UHFFFAOYSA-N	412.411	5.071	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1	60477190	UDRWGFUMUGRZKS-IBGZPJMESA-N	420.497	5.639	30	20	HKED	
CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)cc1	63441100	CSTAELBOAAGPJM-UHFFFAOYSA-O	415.582	5.637	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(F)cc1	211776373	BIUWQMPJRRGFBF-WQLSENKSSA-N	419.452	5.268	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](c3ccccc3)c3nccs3)c2)c1	237855496	OCACXFAQZWFMML-XMMPIXPASA-N	411.530	5.473	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(Cl)c1	261483195	OGBWFKNHKGMEEA-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
CN(C)Cc1nc(NCc2ccc(C#N)cc2F)c2c(-c3ccccc3)csc2n1	301195263	YQRDOPUSXPBTDO-UHFFFAOYSA-N	417.513	5.043	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2cccs2)nc1N1CCC[C@H]1c1cccs1	302741347	CVKPQVFDXMGYRW-MSOLQXFVSA-N	406.580	5.759	30	20	HKED	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cccc(C#N)c1	303945550	UNGDPBRBFISSIZ-UHFFFAOYSA-N	412.468	5.856	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC(F)(F)C1	409940828	DGFKLBHMVNCDAQ-WCQYABFASA-N	403.313	5.641	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	410346160	UKFRCRVMUIOREQ-UHFFFAOYSA-N	410.926	6.025	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cscc2C#N)ccc1Cl	432651326	HCZZLWCBONEFOL-UHFFFAOYSA-N	423.925	5.188	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)Nc1sc3c(c1C#N)-c1ccccc1CC3)CC2	432746433	CCYBRCSEJYKMFT-SFHVURJKSA-N	400.503	5.062	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1ccccc1	433002043	VRODGQZWOLBGBE-IBGZPJMESA-N	419.460	5.310	30	20	HKED	
O=C1CCc2cc(NCc3ccc(F)cc3C(F)(F)F)ccc2N1CC(F)(F)F	436401772	XONQUBYDBPBLGP-UHFFFAOYSA-N	420.328	5.298	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@@H](COCc1ccccc1)c1ccccc1)c1ccccc1	438862506	WYONJNBAUJXNOE-RPBOFIJWSA-N	413.521	5.289	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	439087462	QRQNBTQBBLOAQA-INIZCTEOSA-N	420.683	5.605	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(Cc1ccccc1Br)c1cncc(C)c1)OCC	441409540	JHKVZOOTZYWEGS-HXUWFJFHSA-N	417.347	5.057	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	448037376	COKPVLALGHOWMO-VXKWHMMOSA-N	402.542	5.237	30	20	HKED	
C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(C)s1	460555865	UDEROLLSMCVIJQ-HXUWFJFHSA-N	419.554	5.016	30	20	HKED	
CCn1c(NC(=O)c2c(F)cccc2Sc2ccccc2)nc2cc(C#N)ccc21	464404515	KXFAGHBTFVIVGH-UHFFFAOYSA-N	416.481	5.470	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccccc1CCC(F)(F)F	465261626	ZSNDTQVJZJZRAS-CQSZACIVSA-N	407.461	6.220	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)Nc2ncccc2OCCCC#N)cc1)c1ccccc1	466600385	NVKWTUMYBNANLS-SFHVURJKSA-N	415.497	5.581	30	20	HKED	
N#CCCSc1ccccc1NCc1ncc(-c2ccc(Br)cc2)o1	467262922	LCDNPRDEOIUNFI-UHFFFAOYSA-N	414.328	5.722	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)c1cccc(SCC#N)c1)[C@H](c1ccccc1)C2	469458088	ZPXSKQCIOKDZPC-DEOSSOPVSA-N	414.530	5.251	30	20	HKED	
CC(C)Sc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469950923	SEAYXQNEOYCZLS-UHFFFAOYSA-N	407.539	5.022	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1	470730018	NVGMKVCVUBKLKH-GOSISDBHSA-N	401.853	5.325	30	20	HKED	
COc1cc(CSc2nnc(C3CC3)s2)ccc1OCc1cccc(C#N)c1	470852296	VMBHWEAFKRVDEC-UHFFFAOYSA-N	409.536	5.167	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)cc1	470893901	ZGZCHKJXIVNVBX-LJQANCHMSA-N	413.502	5.039	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCC(=O)c1ccc(Cl)cc1	474572491	FNGLTBNIKNRLHC-AWEZNQCLSA-N	418.971	5.146	30	20	HKED	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	474969018	PQMQKOREPHQVQW-XQBPLPMBSA-N	417.553	5.139	30	20	HKED	
CC(C)n1c([C@H]2CCCN2C(=O)C[C@H](CC#N)c2ccccc2)nc2ccccc21	476155195	OQQYSNHHWKYNCX-NZQKXSOJSA-N	400.526	5.368	30	20	HKED	
Cn1cc(CNc2cccc(CSc3ccccn3)c2)c(-c2ccc(C#N)cc2)n1	478354777	HULXFPGDPKNOKE-UHFFFAOYSA-N	411.534	5.258	30	20	HKED	
CC(C)CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCCc2cccnc21	480569808	XLERICOIAOHTTP-NQIIRXRSSA-N	422.598	6.043	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1cccc(Cl)c1	481372269	OCUSAFYTJTYGTO-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
Cn1c([C@H](N[C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)nc2ccccc21	481928071	QJSHTPJJTBQZRW-JYFHCDHNSA-N	406.533	5.592	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(CCCC)c1C(C)C	482160004	QPLQTTSZKVGWCS-UHFFFAOYSA-N	400.571	5.194	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nccc2ccccc12	483200502	VMWRJIUHTCBYIB-IBGZPJMESA-N	402.375	5.809	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	486242971	XWRAQBCNNULOAI-UHFFFAOYSA-N	405.401	5.286	30	20	HKED	
CCC1(CC)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	486543676	HIZBZALXFVVACP-UHFFFAOYSA-N	405.542	5.766	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1C	488877672	HWRMPLKNMREQNG-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	489522410	QQQDEORPKSWBKL-YLJYHZDGSA-N	418.006	5.010	30	20	HKED	
C=CCn1c(SCc2nccn2Cc2ccccc2)nnc1-c1cccc(Cl)c1	489653495	XNIMZHUFYFFCGI-UHFFFAOYSA-N	421.957	5.322	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(C)ccc3C)o2)cc1	489777397	JVVRTGLOOIYNAJ-MRXNPFEDSA-N	409.511	5.038	30	20	HKED	
Cc1cccc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1Cl	489919068	BAOQDNLPYRAMEW-UHFFFAOYSA-N	404.897	5.475	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccccc1S[C@H](C)CC#N	497581165	AJSXTTCUDVOYSH-OAHLLOKOSA-N	406.507	5.519	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl	497840992	CKJPCNUBHNEXFA-HNNXBMFYSA-N	409.361	5.620	30	20	HKED	
COc1cccc(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	498286446	IFIGASFFYTUKIB-UHFFFAOYSA-N	418.518	5.071	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	498624151	QBTPIJPTERFULO-FQEVSTJZSA-N	417.557	5.375	30	20	HKED	
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501416557	BDKQSMDQEMPODB-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN1CCC(C)(C#N)CC1	507708948	OMRAIRQQTWPLLD-UHFFFAOYSA-N	404.489	5.238	30	20	HKED	
CCN(C(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccc1	507828832	WGUITXWDZUEUOP-SFHVURJKSA-N	415.493	5.213	30	20	HKED	
CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)NCc1cccc(C#N)c1	509340348	CGIWFEJRMYDVMF-UHFFFAOYSA-N	407.514	5.546	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1Cl	510021823	AKMBNTFMAZGDGQ-VWNXMTODSA-N	415.924	6.364	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccco2)s1)c1nc(-c2ccc(Cl)cc2)cs1	510595722	HHCNWQPPEXQYHS-ZDUSSCGKSA-N	411.895	5.670	30	20	HKED	
COC(=O)c1c(F)cc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1F	512566207	TZJUIMPLNFVMPB-UHFFFAOYSA-N	424.428	5.027	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513855387	DTYGHNANVACHBG-INIZCTEOSA-N	405.473	5.025	30	20	HKED	
CCN(C(=O)CNc1ccccc1Oc1ncccc1C#N)c1cccc2ccccc12	515669476	AIRVCDFXZSFUQL-UHFFFAOYSA-N	422.488	5.364	30	20	HKED	
CC(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C#N)CC1	516425579	OUWXUINTPDASGZ-UHFFFAOYSA-N	409.534	5.209	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCSc3ccccc32)cc1	517353744	TWIIJSCJTDIYNE-UHFFFAOYSA-N	404.466	5.632	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CCc2ccc(O)cc2)CC1	517473502	PDEGHHCVKGYPPN-SFHVURJKSA-N	423.582	5.521	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	517884526	FIZHXQNAHICWPZ-UHFFFAOYSA-N	411.933	5.249	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCc1cccc2ccccc12	518164910	IEQSFDWFVXOJHT-SFHVURJKSA-N	403.551	5.798	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1	518850268	VKHVPBFPHUEFDP-MHZLTWQESA-N	422.484	5.005	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1	521972899	RWMQWTVHWHKWPL-UHFFFAOYSA-N	414.958	5.200	30	20	HKED	
C=CCN(C(=O)Cc1csc([C@@H](C)OCC)n1)c1nc(-c2ccccc2)cs1	522687210	AIILVABVPGMJMK-OAHLLOKOSA-N	413.568	5.126	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2cccs2)C2CC2)cc1	523526080	CFMAIOXNFRKAQE-QHCPKHFHSA-N	419.525	5.622	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)o2)cc1	524417162	MJLPIJKGKQATGN-OAQYLSRUSA-N	406.869	5.361	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1ncc(-c2ccccc2)o1	524916555	VBGDZWXCICZPNS-QGZVFWFLSA-N	402.523	5.563	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1	525439883	NJIWNUGOXNZBMB-QHCPKHFHSA-N	406.551	5.404	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc2cc(Cl)ccc2s1	531203445	XWEGBDNGBFJPCL-IEBWSBKVSA-N	409.942	5.181	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1csc(CC)n1)c1ccc(C(F)(F)F)cc1	532761348	WQNAPBBTBHEOHZ-KRWDZBQOSA-N	411.493	5.573	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)OCC	533776376	AAIRZFRPYFCLFT-LJQANCHMSA-N	420.431	5.268	30	20	HKED	
COc1ccc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1OCCCC#N	535781803	VPTIHTMEVOFTCK-IBGZPJMESA-N	421.566	5.367	30	20	HKED	
CSc1ccc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	537220414	PMIIENYIGFOAIY-UHFFFAOYSA-N	419.525	5.962	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C	537551163	HREZUVCFHKHNQJ-UHFFFAOYSA-N	413.449	5.308	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	538110976	SFNDYBRKEBOYQY-INIZCTEOSA-N	405.448	5.406	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(OC(F)(F)F)cc1	538255114	QRIRLKXOZHHGMA-AWEZNQCLSA-N	422.712	5.252	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1	539942865	WMHXGNWSFRVKIF-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C	540886688	RVTKOEIRBOUVKF-LLVKDONJSA-N	419.900	5.095	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1	542004296	GFNNVZYVVQAJJO-OALUTQOASA-N	408.505	5.996	30	20	HKED	
CN(Cc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCCCC1	542358218	MXPCPBUPLIVFHS-UHFFFAOYSA-N	416.569	5.519	30	20	HKED	
COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	543327770	ZCUDCYQOCYOCMH-BFUOFWGJSA-N	403.404	5.201	30	20	HKED	
N#CCCN(C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1	554494808	JTZNTEAUINTVDC-DQEYMECFSA-N	414.480	5.455	30	20	HKED	
Cc1c(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)sc2ccc(Cl)cc12	554521756	JJWBPDRUZKMGQS-UHFFFAOYSA-N	424.957	5.025	30	20	HKED	
C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2	561501164	JJCQSDWRFCLKQO-UHFFFAOYSA-N	423.582	5.872	30	20	HKED	
N#CCC[C@@H](C#N)CNC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	562844306	WSWXYRQXEFKZKM-KXBFYZLASA-N	411.336	5.640	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3nc4ccccc4n3C3CC3)c2)cc1	567489045	MEXVGBHFDJUWFQ-UHFFFAOYSA-N	423.476	5.357	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1	592502129	GKBNQSZZKXHAHB-OAQYLSRUSA-N	418.368	5.032	30	20	HKED	
C=CCN1CCC(NC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1	592765379	JPVQVZSNIDOQOL-OAQYLSRUSA-N	418.965	5.079	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3csc4ccccc34)cn2)c1	603691979	MQCPXDWUEFZISS-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
CCOC(=O)c1oc2ccccc2c1CNc1ccccc1Oc1ncccc1C#N	604007666	PNSBFYMWGWEYOW-UHFFFAOYSA-N	413.433	5.281	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	604134439	IWUHCCJVAFTTCM-QFIPXVFZSA-N	403.441	5.176	30	20	HKED	
Cc1ccc(SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	609028621	IZMVLJXXDSRSHP-QHCPKHFHSA-N	402.519	5.047	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccccc2)no1	609388731	HGPYDYQARUKXSA-MRXNPFEDSA-N	423.563	5.465	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)cc1	609696399	BKRKBUHTBNSCDS-YWZLYKJASA-N	408.379	5.054	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1OCC	611094168	LGWLDLAGMDUXQN-GFCCVEGCSA-N	407.297	5.153	30	20	HKED	
CSc1cccc([C@@H](NC(=O)N2CCC[C@@](C)(C#N)C2)c2ccc(F)c(F)c2)c1	612375541	YEPPPSNWLYRVMO-IRLDBZIGSA-N	415.509	5.111	30	20	HKED	
N#C[C@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nc2ccccc2s1	613289591	RXFVZLLRZMFUGB-QGZVFWFLSA-N	412.518	5.376	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccccc4)c4c3CCC4)n2)cc1	613314229	DKMJOOSRXVJEBY-FQEVSTJZSA-N	424.529	5.283	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613345840	AARVUVQPVNVVKG-AWEZNQCLSA-N	407.709	6.260	30	20	HKED	
Cc1nc(-c2cccc(-c3noc([C@@H]4CCCN4c4ccc(C#N)cc4)n3)c2)cs1	615133254	UJCWROCQNMRORA-NRFANRHFSA-N	413.506	5.382	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N(CC)CC)cc2)cc1OC	630068493	SEACHZWHVZXVSD-UHFFFAOYSA-N	402.922	5.008	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)ccc21	684904530	RWVRWXXUTZFNTR-UHFFFAOYSA-N	419.300	5.417	30	20	HKED	
CC(C)(C)N(N=Cc1nc(-c2ccccc2)no1)C(=S)Nc1cccc(Cl)c1	726420871	XLRKZRCUZILVDA-UHFFFAOYSA-N	413.934	5.221	30	20	HKED	
C#Cc1cccc(NC(=S)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1	726453860	OUHSLVLMBHORES-UHFFFAOYSA-N	422.557	5.066	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2ccc(C)cc2)c1	726573066	YOFWVSKHJYGOAI-UHFFFAOYSA-O	405.568	5.265	30	20	HKED	
O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)CCc2sccc21	726891825	JWVNCIJZBVBTIZ-UITAMQMPSA-N	414.118	5.191	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(\C)c3ccccc3OC)n2)cc1	727631194	BDUKNOJBZGZZLQ-LBKOFNPBSA-N	404.491	5.107	30	20	HKED	
C#CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	731113263	MUUNRJPNOWIPSI-HXUWFJFHSA-N	402.416	5.477	30	20	HKED	
CCc1cccc(CC)c1NC(=S)Nc1ccc(Oc2cccc(C#N)c2)cc1	731318992	NPKKSKXIUJMYEI-UHFFFAOYSA-N	401.535	6.284	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)s1)c1ccc(C(F)(F)F)nc1O	731564662	OELSIQVREQWQFZ-YVMONPNESA-N	409.816	6.084	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)nc1	731970666	LCDJCYAGSJHDHG-UHFFFAOYSA-N	405.413	5.897	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccccc1)c1cccc2ccccc12)c1ccncc1	734668853	LYUGFSYVYIKXMH-CLJLJLNGSA-N	407.517	5.941	30	20	HKED	
CCCCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)C	734699474	ZYLHYGNSXXFUJE-GOTSBHOMSA-N	419.569	5.392	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3Cc3ccccc3)[nH]c12	735787727	DUVSRYWLKJPURN-WIYYLYMNSA-N	409.489	5.106	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Cc3cc(Cl)ccc3C2=O)cs1	742436308	AGNXMEVAPVETLV-UVTDQMKNSA-N	412.873	5.443	30	20	HKED	
N#Cc1cc(N=Cc2ccc(O)c(O)c2O)ccc1Oc1ccc(C(F)(F)F)cc1	743044946	VCGKSRBZNINXFH-UHFFFAOYSA-N	414.339	5.237	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)ON=Cc1ccccc1C(F)(F)F	749352757	MXFZDWXQNZWMRA-LBPRGKRZSA-N	414.811	5.054	30	20	HKED	
COc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1OC1CCCC1	752633451	MFNXIKJWJGFHBU-YADHBBJMSA-N	419.525	5.320	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)c(F)c1	755305234	QEAMXCFMJKUMDT-UHFFFAOYSA-N	418.378	5.520	30	20	HKED	
CC(=O)N(C)c1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	761477475	ZHSCNOBNMWVLCB-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1	764779193	OYSCBLYKMURZSS-HRAATJIYSA-N	416.352	5.645	30	20	HKED	
N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc(-c2ccc(Cl)cc2)cs1	766258346	BPFJYOKWDCWWRT-YMBSLFMGSA-N	414.933	5.948	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)cs1	766696571	UXKHLERAPCAXOP-IXGURIBZSA-N	402.519	5.828	30	20	HKED	
N#Cc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)c(F)c1	772808878	ZHPDIVWPSOATRV-SXGWCWSVSA-N	407.857	5.812	30	20	HKED	
C[C@H](CSCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	772974548	LIHNEBKHBLVGIH-OXQOHEQNSA-N	417.559	5.428	30	20	HKED	
CCOc1ccccc1Oc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cn1	776153741	GWPNCHPMCKPESO-SFHVURJKSA-N	403.482	5.026	30	20	HKED	
CCOc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1	776167686	HCDXAMBTTMHEAO-AVRWGWEMSA-N	420.940	6.081	30	20	HKED	
CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)Nc1ccccc1S2	776263288	QWPNRCDPVJLGCK-UHFFFAOYSA-N	409.536	5.134	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2)cc1	780669492	LAVIHAAVZMKJDA-UUOWRZLLSA-N	415.493	5.287	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1	781092558	ZZKPIVSQVKQYFF-PIKZIKFNSA-N	406.592	5.178	30	20	HKED	
Cc1cc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)s1	783355999	CPDCUAOIYXBHRK-AWEZNQCLSA-N	402.928	5.467	30	20	HKED	
COc1cc(C)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1C	783712318	FJZPCEHRFCTPFH-YFHOEESVSA-N	424.497	5.488	30	20	HKED	
N#Cc1ccc2c(c1)CCCCC2=Nn1cnnc1SCc1ccc(Cl)cc1	794852321	WNBYNFZZFZVEHD-UHFFFAOYSA-N	407.930	5.074	30	20	HKED	
CCc1ccc(N(C(=O)/C=C\c2ccccc2C#N)c2nc3ccccc3s2)cc1	799715908	LCERDZRBEQBIBF-SSZFMOIBSA-N	409.514	6.108	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2c(C)cc(C)cc2O)cs1	799895011	JGTIVKYBWMSIQL-RMKNXTFCSA-N	410.470	5.185	30	20	HKED	
Cc1c(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)sc2ccc(C#N)cc12	815814128	XSSVVVGTJNPEEI-PKOBYXMFSA-N	408.523	5.183	30	20	HKED	
Oc1nc2ccccc2cc1/C=N\C[C@@H](c1ccccc1)N1CCc2sccc2C1	915980207	YQNJDHFZPVDXOY-VNAAUWNKSA-N	413.546	5.220	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(F)cc2F)cs1	916248073	ISCOOEFUPSXMHW-UHFFFAOYSA-N	406.845	5.205	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)s1)C(=O)Nc1ccc(SC(F)F)cc1	916888782	YMKPOBPVNZTENQ-VGVVRCBHSA-N	412.870	5.077	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2c(s1)-c1ccccc1OC2	916916556	VWIZNQUESFXATN-LJQANCHMSA-N	424.481	5.422	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2c[nH]c3ccccc23)cc1	916947145	FLFBXXQMGBAHGC-HTAPYJJXSA-N	401.510	5.352	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4ccccc4c3)n2)cc1	916972213	KZQWVCNDJYMYBD-JOCHJYFZSA-N	424.525	6.111	30	20	HKED	
COc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046733	NHKKVDCIHMCSLK-MRXNPFEDSA-N	412.898	5.188	30	20	HKED	
N#C[C@H](C(=O)CCCOc1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1	918489423	LOBUCFXHNBQDHZ-MRXNPFEDSA-N	414.889	5.638	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1F	918711998	FSEAHCWBXRWIKB-YVMONPNESA-N	403.862	5.419	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	919825363	GIAVAVLWTKOVOL-XMMPIXPASA-N	423.472	5.253	30	20	HKED	
N#C[C@@H](COC(=O)c1csc(-c2cccc(Cl)c2)n1)Cc1ccc(F)cc1	920876710	OQUVJFZPMKDFNM-AWEZNQCLSA-N	400.862	5.142	30	20	HKED	
Cc1cccc(C)c1CCn1c(CC2CCCC2)nnc1N1CCC(C)(C#N)CC1	1693175128	SPSZTUKXGFQEMN-UHFFFAOYSA-N	405.590	5.000	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)[C@H](C)CC	1795574969	KPMPIUNGTADQDT-DFNMRMLDSA-N	422.613	5.223	30	20	HKED	
CN(C(=O)CSc1nnc(-c2ccccc2)c2ccccc12)C1(C#N)CCCCC1	5243065	MMLHBTCXFCQOPM-UHFFFAOYSA-N	416.550	5.074	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cc(C)ccc2C)cc1	22729855	TWIIGMFEQNBYCW-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2cccc(C)c2)cc1	22732041	GXIMFBRLZNIWGK-UHFFFAOYSA-O	419.570	5.295	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NCc1cccc(C#N)c1	66001270	KSNYRFZJIWNZEF-UHFFFAOYSA-N	405.429	5.128	30	20	HKED	
C=CCn1c(S[C@@H]2CCCc3ccccc32)nnc1[C@@H]1COc2ccccc2O1	117204702	PXCMICCYHQLPBS-LEWJYISDSA-N	405.523	5.146	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	195662629	NFUAILKWSZOZJL-SMDDNHRTSA-N	418.305	5.156	30	20	HKED	
COc1ccc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	301145982	NZNBDGLRXNTEPL-UHFFFAOYSA-N	402.519	5.131	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)cc1	302982086	DGXNPFLAYLBTEW-UHFFFAOYSA-N	421.884	5.062	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCCc1nc(-c2ccncc2)cs1	303168751	IWJXTUOZWXOFDM-UHFFFAOYSA-N	424.529	5.106	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(F)c(Br)c1	303249427	BOOMJAWRCJDWLE-LBPRGKRZSA-N	407.308	5.021	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2ccc(C#N)cc2)ccc1OCc1ccccc1	409695938	FEUZWGLEBRXVGG-KRWDZBQOSA-N	401.466	5.029	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C	409852740	KJXRBYMRKSDTLN-OAHLLOKOSA-N	406.511	5.272	30	20	HKED	
CCn1ncc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1-c1ccccc1	427287683	LWMICJRABZDJLG-UHFFFAOYSA-N	423.476	5.190	30	20	HKED	
N#Cc1ccnc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)c1	436008208	DKFWSBGNQAWJDJ-UHFFFAOYSA-N	403.438	5.383	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	437880964	ZMEHMFOZMPBKKS-UGSOOPFHSA-N	421.394	5.253	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc2o1	438053643	WEPKUKXKOZTMCT-UYAOXDASSA-N	402.498	5.429	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)N[C@H](CCC#N)c1ccccc1	438857769	AUCKVXMDMHFLNC-GHTZIAJQSA-N	418.566	5.866	30	20	HKED	
C[C@@H](Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1	439592772	HPXBBHDPNNDZCB-OAHLLOKOSA-N	409.411	6.002	30	20	HKED	
C=CCC[C@H](NC(=O)c1cn(CC(F)(F)F)nc1C)c1ccc(C(F)(F)F)cc1	441582217	QKKLEGNDDWLMTM-INIZCTEOSA-N	419.369	5.210	30	20	HKED	
C[C@@H](Sc1nnc(S[C@H](C)c2cccc(C#N)c2)n1C)c1cccc(C#N)c1	442895744	BERSEPRHIARGKL-HUUCEWRRSA-N	405.552	5.265	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)[C@H](C)CC#N	444388444	FRRRSJUBNZVRNA-CQSZACIVSA-N	418.419	5.032	30	20	HKED	
CSc1cccc([C@@H](NC(=O)c2sccc2C#N)c2ccc(F)c(F)c2)c1	464118786	WMZQZGZNBDLCQN-GOSISDBHSA-N	400.475	5.139	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)o1	464828466	GERAMJHVHCMUBE-HLIPFELVSA-N	411.571	5.252	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	465125697	HBUPCDSHFOHHPL-NBGIEHNGSA-N	414.505	5.052	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCCC[C@@H]3c3ccco3)ccc21	470531930	NDVLFLMXOAOPJY-OAQYLSRUSA-N	420.513	5.012	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CNc2ccccc2S[C@H](C)CC#N)c1C	470536033	CEDGWWAKWSDQKL-GOSISDBHSA-N	406.555	5.057	30	20	HKED	
CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	470677954	HTHBDXSYYCFJDS-UHFFFAOYSA-N	405.885	5.061	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	471164537	GXFQOKPPCIHDJJ-UHFFFAOYSA-N	406.313	5.725	30	20	HKED	
Cc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccn2)cc1	471283542	SLEDMSKOYLNTML-JPYJTQIMSA-N	416.550	5.553	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C[C@@H](CC#N)c1ccccc1	475762725	UYJNZTGTSITCOB-HXUWFJFHSA-N	400.526	5.504	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C	479519917	XJYZKAAFAYTWKT-UHFFFAOYSA-N	401.491	5.229	30	20	HKED	
N#CCSCC(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1	481102743	GMDMAUJVKOGHKV-UHFFFAOYSA-N	411.708	5.090	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccccc1C	481393740	ZMPYSFYEDNWZPI-QGZVFWFLSA-N	417.538	5.267	30	20	HKED	
CC(C)(C)[C@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1	482906647	JUMVYLOJGCERSL-FYYLOGMGSA-N	421.541	5.047	30	20	HKED	
N#C[C@H](C(=O)c1ccc2cc(Br)ccc2c1)c1nccc2ccccc12	483191919	FLLPRHYNXYEWCK-FQEVSTJZSA-N	401.263	5.641	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12	483199887	OGSKQIQWRSDWDY-CQSZACIVSA-N	409.923	5.872	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1cnc2ccccc2n1	483206788	WSOOHFQPMKCYFM-HXUWFJFHSA-N	418.431	5.474	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	485221727	GVVOCPMBSWTUKI-GOSISDBHSA-N	401.466	5.288	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21	486538754	WNHTVXOBVVJOKL-ZVXPMLRVSA-N	419.594	6.128	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c12	487174140	CMYVJACEQAVSLU-IBGZPJMESA-N	402.498	5.389	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@@H](CCCC#N)c1ccccc1	487181927	ASMRPKZPDUGHSX-IBGZPJMESA-N	411.477	5.562	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1	487536711	MLGQLXHYFUYGNY-QGZVFWFLSA-N	424.854	5.107	30	20	HKED	
CC(C)CCn1ncc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C(C)C	487634160	MITUMRGUWIXFIB-UNMCSNQZSA-N	407.562	5.356	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	490327379	NLNZWWDJGOQVMS-UHFFFAOYSA-N	423.900	5.448	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	500452301	RMASMQJCRXQTTG-ICSRJNTNSA-N	422.937	5.848	30	20	HKED	
N#C[C@@H](C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc(-c2c(F)cccc2F)cs1	500461133	GUMCTRYIUDXKQL-IRXDYDNUSA-N	424.472	5.472	30	20	HKED	
N#Cc1cc(NC(=O)c2occc2-c2ccc(F)cc2)ccc1OCC(F)(F)F	501755336	KIVORNHHALGMAS-UHFFFAOYSA-N	404.319	5.151	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1	502628429	QSWPETBTIDWVAJ-QGZVFWFLSA-N	414.571	5.537	30	20	HKED	
CC(C)c1ccc(-c2nc(Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)cs2)cc1	502833287	KVKPKLCNXAFXPP-UHFFFAOYSA-N	419.937	5.822	30	20	HKED	
N#CCc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1	504790926	ZAEJXZDJYCIRTI-UHFFFAOYSA-N	423.394	5.276	30	20	HKED	
N#C[C@@H](C(=O)Nc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	505431899	BMCKARBMPHYAJP-ZDUSSCGKSA-N	410.911	5.319	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1	505564015	CCUUQMSPISNQGT-DEOSSOPVSA-N	413.521	5.798	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N[C@@H](c1c(F)cccc1F)C(F)(F)F	506683051	YPBNTZNCIFKXNJ-AWEZNQCLSA-N	412.280	5.495	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2Cc2cn(CCC#N)nc2-c2ccccc2)cc1	506711161	NUYNOOPNZVBXGM-DEOSSOPVSA-N	400.526	5.200	30	20	HKED	
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C)(C#N)CC2)cc1	507824334	IYSOWSRMXRWIRP-UHFFFAOYSA-N	412.537	5.429	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1	510512486	CDJQDXLEJJMUCC-UHFFFAOYSA-N	417.509	5.188	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(OC(F)F)c(F)c1	512999074	YOEMYWCAIKQOKR-UHFFFAOYSA-N	411.273	5.150	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)n1	513681845	KROKMHRGZOLASP-KRWDZBQOSA-N	410.930	5.050	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cc1	514768825	AFMXZVUVGSFLEF-UHFFFAOYSA-N	419.550	5.440	30	20	HKED	
CCCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccc(C#N)cc1	515410953	ROWJYWYKZYVTQA-UHFFFAOYSA-N	409.839	5.081	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4cc(F)ccc4s3)c2)c1	515926389	PSKXKIORERCPGN-UHFFFAOYSA-N	415.449	5.417	30	20	HKED	
CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc(C)cs1	517909257	CXPCERBBOASGDT-OAQYLSRUSA-N	422.529	5.325	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)Nc3ccc(CCC(F)(F)F)cc3)n2)c(F)c1	517993918	HTDTUMCPYNJLCG-UHFFFAOYSA-N	417.366	5.022	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCSc2ccc(Cl)cc21	518165015	CRDMXAIJUXWGIV-CJNGLKHVSA-N	417.987	5.950	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n(CC(C)C)c1C	518653979	RTXQVXVKRXHGRT-HNNXBMFYSA-N	416.616	5.281	30	20	HKED	
C=CCN(C(=O)c1ccnc(Oc2ccccc2)c1)c1nc(-c2ccccc2)cs1	522871616	VHZNKGWFEISCOK-UHFFFAOYSA-N	413.502	5.830	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	524679999	DRCLYMGOLVXWSS-ZEQRLZLVSA-N	419.484	5.949	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC=C(C(F)(F)F)CC3)c2)cc1	536058404	YSMNQDINESHJCS-UHFFFAOYSA-N	415.415	5.058	30	20	HKED	
CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)Nc1ccc(CC#N)cc1)OCC3	536164805	FRSPYDQYKPHPKO-VWLOTQADSA-N	401.510	5.003	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC[C@H]1c1cc(Br)ccc1OC)c1ccccc1	536207606	BKHUHOFPODEGDS-JXFKEZNVSA-N	414.343	5.481	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NCc2nnc(-c3cccc(C#N)c3)o2)cc1	537156273	CQFHAFZLHXLLLD-KRWDZBQOSA-N	410.477	5.135	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	541100432	MRQUCEYMAQBTTE-AWEZNQCLSA-N	419.872	5.368	30	20	HKED	
Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	542328511	VCNXHJQDSZMQBN-IBGZPJMESA-N	406.917	5.508	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	546709524	KGUSRBYYSJVPAI-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cnc1C(F)(F)F	550861567	MRWRLTROJBEBCS-UHFFFAOYSA-N	414.368	5.094	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCCc4sc(Cl)cc43)cc2)nc1	553829211	ULNDCQOGVFBGAN-KRWDZBQOSA-N	409.898	5.268	30	20	HKED	
CC(C)(CCC#N)CNC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12	554261750	NXPJCMCZYTTYAZ-LJQANCHMSA-N	422.960	5.582	30	20	HKED	
Cc1sc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)nc1-c1ccccc1F	554707586	NGEYZIUUCJUUHJ-UHFFFAOYSA-N	419.525	5.258	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccsc1	554932000	NNZPVWWYLUXXST-SFHVURJKSA-N	400.935	5.100	30	20	HKED	
Cc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	555080206	ROPWSWKUNFJPKF-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3cccc(-c4cscn4)c3)no2)c2ccccc21	564497551	NMBXVBXYKHUURI-UHFFFAOYSA-N	411.490	5.786	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1	565391085	RUDNQWKCEQBTTJ-LJQANCHMSA-N	411.600	5.171	30	20	HKED	
CSC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	566938702	GECVDXIKULZNKI-NRFANRHFSA-N	414.527	5.239	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H](c3ccncc3)C2)c1	578579440	XSMNIOUGJOIQDQ-LJQANCHMSA-N	417.896	5.419	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC=C(c3cccnc3)C2)c1	579104488	YZOMJGSYWFRQAD-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)s2)cc1	580513186	NVUDUIREQFJNLA-HNNXBMFYSA-N	411.552	5.371	30	20	HKED	
N#Cc1ccc(N2CCC(N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1	586788440	WGXCUTBDKZOQLJ-QLPKVWCKSA-N	419.413	5.026	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@H](C)c2cccc(C#N)c2)cs1	589437756	DXOGFIFPZUKVKA-OAHLLOKOSA-N	407.514	5.284	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1	589572195	JUEKHQZCTCDCRM-HZPDHXFCSA-N	420.900	5.077	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1	603733500	SATQTDBKLCSOQO-RUZDIDTESA-N	412.514	5.443	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608329024	IAMOWKJVEMGKQC-QWRGUYRKSA-N	422.291	5.386	30	20	HKED	
C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609062412	PLWLYDKEORRXGS-QGZVFWFLSA-N	420.896	5.334	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609298708	QIIRMQWKCAFXRD-UHFFFAOYSA-N	423.447	6.112	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCc4sccc4C3)cc2Cl)cc1	609338701	CXILSEZIYVPXBQ-UHFFFAOYSA-N	423.925	6.046	30	20	HKED	
Cc1ccc(Br)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1	610784000	LKKRAIWGHRMWHA-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1C	611163050	AQGIGSKDABVZHD-SFHVURJKSA-N	415.493	5.337	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c(Cl)c1	611165760	IHMNSWHQYJYLKZ-MRXNPFEDSA-N	411.235	5.274	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4ccco4)sc3C)n2)cc1	613318148	LWVGXNNZQRURJT-OAHLLOKOSA-N	405.504	5.634	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1	619746990	XYUBLKQRZUISKM-HSZRJFAPSA-N	419.912	5.080	30	20	HKED	
Cc1ccccc1-n1c(-c2ccc(Cl)cc2Cl)nn(CN(C)CC#N)c1=S	725772669	VKHSFZCSFLGFGU-UHFFFAOYSA-N	418.353	5.098	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(O)c(C)c2)cs1	728231704	NQZNKCMBTSDEIK-POHAHGRESA-N	412.898	5.391	30	20	HKED	
CC(=NNc1ncnc2c1oc1ccccc12)c1csc(-c2csc(C)n2)c1	729142651	BMCGGKHRCRVQGY-UHFFFAOYSA-N	405.508	5.706	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1	731197985	BQUDIRBIYHBNOV-HXUWFJFHSA-N	407.514	5.326	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(OC(F)(F)F)cc2)ccc1OC	733324058	WFJLBNKZOWJTEE-PBHICJAKSA-N	408.420	5.126	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccsc3)n2)CCOc2c(Br)cccc21	733748906	NBAKOTDMMIJCLL-DHZHZOJOSA-N	418.337	5.683	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1cccc(C(=O)Nc2ccccc2)c1	735319288	YICDERGIGFPLJD-UHFFFAOYSA-N	422.937	5.928	30	20	HKED	
N#Cc1cc(NCc2ccc(-c3ccc(Cl)cc3)s2)ccc1N1CCC(O)CC1	742386011	XXKBRFRJERJSGC-UHFFFAOYSA-N	423.969	5.513	30	20	HKED	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1	742858263	OCESKTQGEAODAI-OWOJBTEDSA-N	419.287	5.538	30	20	HKED	
COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	743294598	QFVSFHAXPVTZAO-CLOONOSVSA-N	413.521	5.493	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036630	FIJNWUYZFSASBH-IFCKCIONSA-N	412.436	6.109	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)C2CCCCC2)c1	745821659	SSTVCUAPYGRBBY-QHCPKHFHSA-N	405.542	5.412	30	20	HKED	
CCOc1ccc([N+](=O)[O-])cc1/C=C/C(=O)c1ccc(SC(F)F)c(OC)c1	748584323	PZIPCSBMKRMMAO-QPJJXVBHSA-N	409.410	5.213	30	20	HKED	
CN(C)C(=O)Sc1cccc(CSCc2cc(Cl)ccc2OCC#N)c1	753125011	BWHJIIBJTYKFML-UHFFFAOYSA-N	406.960	5.449	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2nc(-c3ccccc3)cs2)cc1C	754764539	IMPXLQMIQOANJN-LJQANCHMSA-N	418.566	5.024	30	20	HKED	
CCOC(=O)/C(=C/c1ccc(O[C@H](C)C#N)cc1)c1nc(-c2ccc(C)cc2)cs1	756623123	RHKDCJVSNZPSEA-VYVDHXHBSA-N	418.518	5.513	30	20	HKED	
CCCOc1ccc(C=NO[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC	758410927	OFOXQTZTOIMVII-KRWDZBQOSA-N	409.486	5.263	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	761665897	ZXKOCQAXKRXEIX-SFHVURJKSA-N	421.394	5.506	30	20	HKED	
CSc1ccc2cc(CN3CCO[C@H](c4cccc(C#N)c4)C3)c(Cl)nc2c1	761758457	YYGGQSWDWUSNJN-NRFANRHFSA-N	409.942	5.055	30	20	HKED	
N#C[C@H](C(=O)CC1CCSCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	762066757	BKAVJSNAOOHNPQ-CQSZACIVSA-N	411.379	5.826	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)s1	762447466	QFGOYEIDFPSXJK-GQCTYLIASA-N	401.310	5.402	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(SC(F)F)cc2)ccc1OC	772987433	VDPZVYILWOQWAJ-YOEHRIQHSA-N	406.498	5.542	30	20	HKED	
N#C[C@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccc2ccccc2n1	780300618	BWJPZHDIBIUNLO-NRFANRHFSA-N	416.484	5.052	30	20	HKED	
COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	781446977	HRHDJXCXCIAESL-DOMZBBRYSA-N	414.914	5.022	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1	789459300	PQSZEDIAWMUWKD-DEOSSOPVSA-N	410.533	5.655	30	20	HKED	
COc1ccccc1-c1ncc(C=NN(Cc2ccccc2)Cc2ccccc2)cn1	792939767	JTIOHVARNVRNFX-UHFFFAOYSA-N	408.505	5.189	30	20	HKED	
CC(C)(C)c1ccc(N2CCC(NC(=O)C[C@H](CC#N)c3ccccc3)CC2)cc1	793161521	FYQHDXDWSJGEEK-NRFANRHFSA-N	403.570	5.157	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1	795881898	IJJBVFJYJCGKGR-UHFFFAOYSA-N	415.537	5.067	30	20	HKED	
N#CC1(CCCNc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CCOCC1	798387604	KBZAATUCIDLYBF-UHFFFAOYSA-N	418.459	5.797	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCC1CCC(C#N)CC1	799343944	QUOMNIIAMPUHAP-UHFFFAOYSA-N	410.871	5.273	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](c1ccccc1)N(C)C	806201300	WKHBWIIGARRDGK-LQGLAIQGSA-N	412.537	5.155	30	20	HKED	
N#C[C@@H](C(=O)Cc1cscc1Br)c1nc(-c2ccccc2)cs1	815912578	QKJNQONIFNDRIQ-ZDUSSCGKSA-N	403.326	5.053	30	20	HKED	
COCO[C@H](C)c1cc(F)c(CNc2cc(C)cc(C#N)c2)cc1Br	864038548	ULBRVOMWNAHSDG-CYBMUJFWSA-N	407.283	5.062	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1	915085930	QLDMWTIOZOQXBB-XMMPIXPASA-N	420.516	5.903	30	20	HKED	
C=CCN(C(=O)CCn1nc(-c2ccc(Cl)cc2)n(CCCC)c1=S)C(C)C	915153680	RRIPUKDLEINGCU-UHFFFAOYSA-N	421.010	5.348	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916681836	ZLLQXGJHZVQGCE-QFIPXVFZSA-N	423.438	6.025	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)nc2ccccc21	916843383	FAEUJERGMOYQGJ-DEBLGDTFSA-N	403.791	5.135	30	20	HKED	
N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	917040353	FAKJFJKOTHEDDZ-HXUWFJFHSA-N	412.942	5.014	30	20	HKED	
COc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	917599896	BSFIBSFCNDIUMN-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1	918155785	JMGOQCAPZRVWFR-NYYWCZLTSA-N	402.924	5.368	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1	918487067	JTUZBKASYFZXHA-DYESRHJHSA-N	416.452	5.459	30	20	HKED	
CCCN(C(=O)c1cc(C#N)c(SC)nc1O)[C@@H](C)c1ccc(Cl)c(Cl)c1	1355002845	IWSZCUDESZREPW-NSHDSACASA-N	424.353	5.301	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(F)cc2)cc1	10830039	SLTRAHNFDLEONG-UHFFFAOYSA-O	413.563	5.405	30	20	HKED	
C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)Nc1ccccc1C#N	20993509	UKKKPTZZWRXAOZ-AWEZNQCLSA-N	416.531	5.349	30	20	HKED	
C#Cc1cccc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)c1	25961933	ONZIDIAUSFRDFL-UHFFFAOYSA-N	415.543	5.693	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	45432767	HEVCRTZIKWNUGJ-CQSZACIVSA-N	417.456	5.069	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccccn3)cc2Cl)cc1	56726656	VGDUQFLBMTUCKW-NRFANRHFSA-N	418.884	5.768	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1	58451032	OIYQQPXYPJFQHP-UHFFFAOYSA-N	420.488	5.538	30	20	HKED	
COc1cc(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)ccc1SC(F)F	63874717	KCXDIFDRWOPEMV-GQCTYLIASA-N	414.857	5.577	30	20	HKED	
N#Cc1cn(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2ccccc2c1=O	110968637	AHJJYOQQPVFWAM-UHFFFAOYSA-N	411.408	5.064	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)s2)o1	195662704	LGVKXBOMKCXJJA-AWEZNQCLSA-N	406.492	5.029	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cc(C)c(OCc3ccccn3)c(C)c2)c1	236898539	SEZPCRDJRNBMHQ-XMMPIXPASA-N	415.537	5.248	30	20	HKED	
C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(CNc2ccc(Cl)c(C#N)n2)cc1	302177809	REQXMCLOMNWANN-ZDUSSCGKSA-N	423.307	5.312	30	20	HKED	
CCCCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc(C)c1C	303276946	JBDGECLICKWUGD-OAHLLOKOSA-N	416.616	5.283	30	20	HKED	
N#Cc1c(NC(=O)c2c(F)cc(Br)cc2F)sc2c1CCCCC2	325286929	KGFPLDQIKGLATF-UHFFFAOYSA-N	411.271	5.182	30	20	HKED	
N#C[C@@H](NC(=O)CCCCC(=O)c1ccc(F)cc1)c1c(Cl)cccc1Cl	426993097	AZCKOJYTWBJUNW-QGZVFWFLSA-N	407.272	5.257	30	20	HKED	
N#CCC[C@@H](NC(=O)NCc1ccc(COCc2ccccc2)cc1)c1ccccc1	429075978	GUGQUPHMIVEXCW-RUZDIDTESA-N	413.521	5.248	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCOC[C@@H]1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	435664587	MYIKKDLGOLCMBA-PGRDOPGGSA-N	418.562	5.669	30	20	HKED	
CCO[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C12CCCC2	437123692	FNSWWKXQBGPQMT-XZOQPEGZSA-N	420.578	5.318	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSCc1cscn1	437228010	NPVBQONXIGAEHO-UHFFFAOYSA-N	417.503	5.040	30	20	HKED	
CN(C)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C(F)(F)F)c1	437908725	OJJYJRUWSXSLIC-FXAWDEMLSA-N	416.447	5.075	30	20	HKED	
COc1ccc(C[C@@H](NCc2ccc(C#N)cc2Cl)c2ccccc2)cc1OC	439454273	RBMYOJFKVAVWME-JOCHJYFZSA-N	406.913	5.302	30	20	HKED	
N#CCC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1	439673783	NUDAXEHTOSDIGQ-OAHLLOKOSA-N	401.944	5.229	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1NCc1coc(-c2ccccc2)n1	440641040	YQEXUHZQIZBZSY-UHFFFAOYSA-N	405.255	5.136	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1	441100428	YXALTFXFRZUNBZ-UONOGXRCSA-N	423.460	5.862	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1	441612716	RUSGZHDEQQBYJI-LJQANCHMSA-N	419.447	5.236	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	442810481	NEDJBYBIAXGQNX-GHMZBOCLSA-N	419.478	5.132	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1C(F)(F)F	443881666	SDSSBLZWQYESKK-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cc(Br)c(F)cc2F)c2ccccc21	444415528	UTIJYFLIMHLJCP-UHFFFAOYSA-N	418.241	5.238	30	20	HKED	
C=CCNC(=O)c1ccc(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	446888059	CJNKIBUSEMODJP-UHFFFAOYSA-N	417.456	5.357	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C	460580948	ZCQPITBEZACTBN-UGSOOPFHSA-N	407.345	5.136	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(F)c1F	461087802	ZYRLHCIVXSXYML-UHFFFAOYSA-N	424.378	5.531	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(F)c(Br)c1	462246081	KAOLAAOAUVXJSR-LIRRHRJNSA-N	403.295	5.243	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc3cc(C)ccc3s2)c1C#N	463279813	AZMUAZFFDPRPLT-UHFFFAOYSA-N	404.520	5.241	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	463653869	CMLIXTDVWNGQKC-INIZCTEOSA-N	402.425	5.337	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c1	464051645	HAZXHTXETYJSMC-UHFFFAOYSA-N	415.443	5.234	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(CCO)CCCC2)cc1Cl	467610756	NKDSIKSQLWRJNO-HXUWFJFHSA-N	411.933	5.060	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(Cl)c4cccnc34)ccc21	469136242	UXICLKHXPZMCFU-UHFFFAOYSA-N	404.901	5.083	30	20	HKED	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1	474181709	YKZLLEAQPPVQEG-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C)cc1O[C@H]1CCOC1	475556747	WVRKWLVJSAVSSW-NRFANRHFSA-N	408.542	5.336	30	20	HKED	
C=C(C)[C@H](NC(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1)c1ccc(F)c(F)c1	476878975	KNZVWAZAWZEZBX-BTYIYWSLSA-N	415.484	5.066	30	20	HKED	
CCc1nn(C)c(CC)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	478707098	WDRMRFIAGMFASF-HXUWFJFHSA-N	420.944	5.035	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc2ccccc2n1C	479585200	CPEGOGJPFJSDEV-MRXNPFEDSA-N	412.518	5.087	30	20	HKED	
Cc1ccc2c(N3C[C@H](C)C[C@H]3c3cccnc3)c(C#N)cnc2c1Br	480113243	BWNQTOBUMOVRFW-ACJLOTCBSA-N	407.315	5.160	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccccc1	481972354	WCUOVMAFPLZZLT-IBGZPJMESA-N	413.403	5.058	30	20	HKED	
C=CCOc1cccc(NC(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)c1	483455239	ZYNHTMRHRYUGPG-QFIPXVFZSA-N	407.901	5.553	30	20	HKED	
C[C@@H](c1ccc(-c2cccc(C#N)c2)cc1)N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O	485215899	XRNJQMRJFUUKQA-WDNCENIBSA-N	421.500	5.454	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	485738078	YRWGYOCNNOWXOY-GOSISDBHSA-N	416.546	5.708	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F	486528818	HSTCPAYYVHUTHM-HOCLYGCPSA-N	407.461	5.406	30	20	HKED	
O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cc(F)cc(C(F)(F)F)c1	490254075	RUZQJLAVWCVEMA-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1	493911335	FZUJBTBJLREAPO-UHFFFAOYSA-N	412.877	5.123	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1CCCc1ccccc1	494080126	QHLYRUBYMRTQIC-TZIWHRDSSA-N	407.583	6.100	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Br)cc2)cc1C	497465915	PYQUORQSQHWDTL-UHFFFAOYSA-N	423.314	5.095	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)COc1ccc(Cl)cc1C1CCCCC1	499336872	GOYMWUITSQJYIF-UHFFFAOYSA-N	411.933	5.104	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(Br)s1	505938607	OGNMTOUGMXINPT-BXKDBHETSA-N	417.250	5.014	30	20	HKED	
COc1ccc(C2(C(=O)Nc3cccc(OCCCC#N)c3)CC3(CCC3)C2)cc1	507169831	XPWJLUKUNXWZRF-UHFFFAOYSA-N	404.510	5.218	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12	508206665	PNZAUTNQYPRKOQ-CQSZACIVSA-N	402.479	5.152	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2cccc(Br)c2)C2CC2)c1	510994593	HHRREWAEGWCINF-UHFFFAOYSA-N	401.304	5.210	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@@H]1CCC[C@H](C(F)(F)F)C1	511701733	LLLWSDCCMIRTHX-NTZNESFSSA-N	419.312	5.376	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)sc2ccc(C#N)cc12	512769871	BKACARAVKAJLBK-UHFFFAOYSA-N	408.376	5.414	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1csc(-c2ncccc2F)n1	512898539	FAYHQDPWWQRIQJ-UHFFFAOYSA-N	406.467	5.197	30	20	HKED	
Cc1cccc(OCCCCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	512977664	PURDYJKOJVTBHT-UHFFFAOYSA-N	405.523	5.102	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccco2)c1	513505923	LNKUKHWAPUDSIC-VWLOTQADSA-N	408.457	5.250	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccccc4)c3)n2)cc1	518515437	GRVIBXXAGMBEOY-JOCHJYFZSA-N	421.481	5.964	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2ccccc12	520837141	KUYWMHKXJKFKED-UHFFFAOYSA-N	404.413	6.018	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)on1	521725893	HHLLSVSZMATMQL-LLVKDONJSA-N	403.916	5.561	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1	521735041	WIMBEGXWTWAYDY-MRXNPFEDSA-N	421.591	5.805	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(C#N)cc1	523877128	IKDLTIAOCYSTHG-OAHLLOKOSA-N	401.853	5.367	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	524389037	LNJJASBKTUCCKS-UHFFFAOYSA-N	422.937	6.073	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3nc(C(F)(F)F)cs3)c2)cc1	524898246	IGBVRYXAHYYLRL-UHFFFAOYSA-N	418.400	5.148	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(CSc2ccc(C#N)cc2F)cs1	524988667	ULJBACDRFJLAIA-UHFFFAOYSA-N	411.527	5.693	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	525003218	SZBUCMJAPHMXFV-UHFFFAOYSA-N	423.582	5.445	30	20	HKED	
C[C@@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	525528288	HZWZTCWICXRZAF-AWEZNQCLSA-N	413.361	5.386	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(O)c4ccccc34)cc2Cl)cc1	526046475	LFEJYWQLFBUGGB-UHFFFAOYSA-N	415.836	5.510	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc3c2OC(C)(C)C3)cc1C	530395489	PPQKIBKJKMLEBW-UHFFFAOYSA-N	414.509	5.046	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1	536278921	BSDQOONBWZTPIY-MAUKXSAKSA-N	415.946	5.277	30	20	HKED	
N#Cc1cnc(C(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c(Cl)c1	536887436	WVGPMXKMMMEUBX-HNNXBMFYSA-N	414.214	5.160	30	20	HKED	
Cc1cc([C@@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)ccc1F	538324563	XLCVJZSGVPDYLT-HJPURHCSSA-N	411.546	5.208	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)cc1	538895764	HJHWJIKTCSLAPD-UHFFFAOYSA-N	411.505	5.149	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1	539096381	FXNVRTIUJHXJHY-UHFFFAOYSA-N	420.472	5.083	30	20	HKED	
C=CCC[C@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	539328898	READFHBMTLXVHB-IRXDYDNUSA-N	422.413	5.103	30	20	HKED	
Cc1noc(CSc2ccc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)cc2)n1	540274060	YCPJFMXVUHNIOV-UHFFFAOYSA-N	412.540	5.153	30	20	HKED	
CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	540813301	DHGXWKWTDIBJIR-JTHBVZDNSA-N	421.541	5.047	30	20	HKED	
N#CCC1CCN(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1	541965454	MEKAUSXXUVHDTA-UHFFFAOYSA-N	417.431	5.333	30	20	HKED	
C[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(-c2cccc(C#N)c2)cc1	542931213	AKTNLNQSLALLNE-GOSISDBHSA-N	422.488	5.085	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)n1	542980178	YSENKGUNBYQNKF-UHFFFAOYSA-N	418.806	5.145	30	20	HKED	
N#Cc1ccc(-n2ccc(NCc3cnoc3-c3ccc(Cl)s3)n2)c(Cl)c1	543868353	NLLXSKMLQSFELN-UHFFFAOYSA-N	416.293	5.379	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc2c(c1)CCCC2	546916667	KQFLNTMYUAAQCE-ZWKOTPCHSA-N	407.583	5.106	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)c3cc(C#N)ccc3Cl)c2C)c1	552379350	BXVAICQNQXGPFL-UHFFFAOYSA-N	406.869	5.360	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(CCC#N)c1ccc(F)cc1	554165999	RJDRCDXADXTJRA-UHFFFAOYSA-N	405.907	5.533	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C)c(OCCC(C)C)c1	554236234	CXDRHYWPZSDURS-UHFFFAOYSA-N	400.519	5.115	30	20	HKED	
CC(C)(C(=O)Nc1cc(F)c(Br)cc1Cl)c1cc(F)cc(C#N)c1	558184974	WNOZFGGLJPBOSM-UHFFFAOYSA-N	413.649	5.169	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21	561158278	CIOWGYNMAQWDLQ-MRXNPFEDSA-N	400.503	5.815	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](COC(F)F)C2)cc1Cl	562100511	RSFRGCMMGKHIHE-KDOFPFPSSA-N	419.859	5.088	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@](C)(OC)CC1	566397859	LGYKQFOMQZCNAL-DFBJGRDBSA-N	420.557	5.153	30	20	HKED	
Cc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1NC(=O)c1ccccc1F	567189198	PLTZJLOIXOZSJO-UHFFFAOYSA-N	419.431	5.086	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1c2ccccc2O[C@H]1C	571916629	BNFRWQJQGOOWAN-BXKMTCNYSA-N	413.477	5.089	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC=C(c3ccncc3)C2)cc1Cl	586835346	YANDHVDKMGYVCE-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(OCc2ccccc2)nc1)c1ccccc1	590107870	QYHWNTRWEIARLQ-QFIPXVFZSA-N	400.482	5.217	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1OCCC(C)C	592973164	AAIHCVUTWFJVQK-MRXNPFEDSA-N	412.486	5.359	30	20	HKED	
C[C@H](Sc1nc2cc(Cl)ccc2o1)C(=O)N(CCC#N)c1ccc(F)cc1	597229775	BANSQGNDHAHEDR-LBPRGKRZSA-N	403.866	5.048	30	20	HKED	
COc1cccc(COCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	603758692	AZLIHYYNEKCQIY-JOCHJYFZSA-N	420.896	5.159	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2)CC1	608935595	CCSUMVICAYSVFN-UHFFFAOYSA-N	409.533	5.004	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F	608996264	XLDUQKDXCLJRHG-GOSISDBHSA-N	403.404	5.345	30	20	HKED	
CSc1ccc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609072619	UZIQPKLXRBYSIH-UHFFFAOYSA-N	402.519	5.728	30	20	HKED	
C[C@H]1Sc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2NC1=O	609175822	HCYXQLTXIOXDPA-CQSZACIVSA-N	415.474	5.036	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nccn3Cc3ccccc3)cc2)cc1	609521707	ZOSPWCUHEHZQCN-UHFFFAOYSA-N	408.461	5.042	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccccc2Br)sc2cccc(F)c12	609590912	NIJIMIYJPYNFMM-AWEZNQCLSA-N	403.276	5.106	30	20	HKED	
Cc1[nH]nc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1-c1ccccc1	609679730	CWDNSAFQZPRSEF-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(-c3ccoc3)n2)sc2c1-c1ccccc1CC2	609969470	YKQSCKUFIIFIQG-UHFFFAOYSA-N	417.515	5.283	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)cc1	609985811	LRIMQJBMYDZVHN-UHFFFAOYSA-N	404.473	5.540	30	20	HKED	
COc1ccc(Br)cc1SCc1c(C#N)c(C)nn1-c1ccccc1	610167518	FPYJNBGMBWWKER-UHFFFAOYSA-N	414.328	5.116	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)c(F)c1	610224427	QFPGRFQWJJLFPU-IFXJQAMLSA-N	410.851	6.016	30	20	HKED	
CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1CCCCO1	610721698	QSZVHNPNIJZWDZ-HSZRJFAPSA-N	423.532	5.004	30	20	HKED	
Cc1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(C)n1CC(F)(F)F	611351518	NRYKJJARDUQPPN-UHFFFAOYSA-N	411.427	5.136	30	20	HKED	
CCOc1cc(F)ccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612806250	XSSBCDNPTXYBQU-NXEZZACHSA-N	416.337	5.255	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc2cc(F)ccc2s1	677564537	RXAQIYFKOSOUKK-SFHVURJKSA-N	424.460	5.536	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccccc2SCc2ccccc2)cc1	727934726	GZDUQNCZRXBOCS-UHFFFAOYSA-N	403.507	5.203	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1ccccc1SCC#N	728032844	QIVJIJKIASWATG-UHFFFAOYSA-N	406.482	5.581	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(-c3cccs3)n2)cc1Br	728439141	FPCSALOAKCVTBF-WAYWQWQTSA-N	406.326	5.539	30	20	HKED	
Cc1nn(C)c2ncc(/C=C3/CCc4nc(-c5ccc(Cl)cc5)sc4C3=O)cc12	728439225	YGNVBMQTHODZJK-DHDCSXOGSA-N	420.925	5.266	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cc1	728738274	NRDYANCETVQSGW-UIOOFZCWSA-N	409.533	5.971	30	20	HKED	
C[C@H](CC#N)N(C)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C2CCCC2)c1=S	728902457	PQMUSHYNKRMWHB-QGZVFWFLSA-N	411.619	5.685	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Oc3ccc(Cl)cc3C2=O)cs1	729149164	CHKIUZBAJLBPCJ-NVMNQCDNSA-N	414.845	5.236	30	20	HKED	
N#CCOc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3Br)s2)c1	730149854	LDXRUSOBVAOOJL-CMDGGOBGSA-N	424.319	5.976	30	20	HKED	
C[C@@H](CC(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCCCC1	731079371	ZPNAYLPWPZCPJR-SJORKVTESA-N	402.560	5.027	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccc(F)cc2Cl)cc1	731105733	JPQCFQVEXOOIOK-JOCHJYFZSA-N	423.875	5.601	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	731332848	STZILOIDOQUFSI-OAHLLOKOSA-N	411.527	5.680	30	20	HKED	
COCCOc1ccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cc1	731937498	IIYNRQONHCBECG-PEZBUJJGSA-N	409.482	5.187	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)c1	733786193	AESIWKWTXGVBHP-CYBMUJFWSA-N	402.281	5.086	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccncc1	734361042	RDPPGAZJVHQWBO-LJQANCHMSA-N	424.298	5.079	30	20	HKED	
Cc1ccc(-c2ncc(/C=C/C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)s2)cc1	735232140	IRXYXVPZZIKHNS-DHZHZOJOSA-N	419.474	5.011	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)c1	740917382	OIDDVQWFKLYSHS-WMZHIEFXSA-N	405.542	5.440	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1	741841153	KURFDTSTDKRMFK-SOFGYWHQSA-N	402.771	5.419	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)N[C@H]2CCOc3ccccc32)cc1F	743036152	LCHYHVKINSPZDF-IBGZPJMESA-N	419.481	5.300	30	20	HKED	
CCN(Cc1cccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)c1)C(=O)OC(C)(C)C	743161350	GRKCDQYROIDTGT-QGZVFWFLSA-N	422.529	5.198	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037599	ANRULTZECPBCSX-LRDDRELGSA-N	420.431	5.899	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)C[C@H](Cc3ccccc3)c3ccccc3)o2)cc1	745351035	CUNMNTRVSVVWDS-QHCPKHFHSA-N	423.472	5.068	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1	747194138	UPPZBCGFKJNPTA-YPAWHYETSA-N	416.546	5.825	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)cc1Cn1cccn1	749892969	CVOMFGHNMQRUCZ-VOTSOKGWSA-N	407.520	5.021	30	20	HKED	
N#Cc1ccccc1/C=C(/Cl)c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1	755581688	QDMCVWVIZDXEHE-CXUHLZMHSA-N	407.857	5.399	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	756254676	DNRVAJKWMXQHLQ-ZDUSSCGKSA-N	418.415	5.566	30	20	HKED	
O=C(/C=C/c1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1)c1ccc(Cl)nc1	759083142	LTCWAJLMFNVXAV-KBXRYBNXSA-N	409.272	5.576	30	20	HKED	
O=C(/C=C\c1c(Cl)oc2ccccc12)c1ccc(S(=O)(=O)CC(F)F)cc1	761204575	ICFPOFSNWUMMEM-KTKRTIGZSA-N	410.825	5.021	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1sc(-c2ccccc2)nc1C(F)F	761496664	OEHLCYDAAHQCFL-UHFFFAOYSA-N	400.406	5.237	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C(F)(F)F)c2C)ccc1OC	761656877	ZBFKTOOUEPPQKO-HNNXBMFYSA-N	421.419	5.025	30	20	HKED	
CCc1noc(C2CCC(Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2)n1	764645490	HTFLVOWLGWKVRM-UHFFFAOYSA-N	402.498	5.221	30	20	HKED	
O=C(/C=C\c1nc2ccccc2s1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764752670	RKCUUIWAAHIBOC-WAYWQWQTSA-N	419.293	5.024	30	20	HKED	
CC[C@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1ccccc1OC	775077712	MYCSSADMQJYRNO-QHCPKHFHSA-N	416.521	5.395	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ccc(N(C)C)cc2)CC1	775609755	VIDOZFKEQWIGKF-GOSISDBHSA-N	422.598	5.416	30	20	HKED	
C=CC[C@H](C(=O)O[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1ccccc1	778429289	VWZJZMAVOGBZEY-PXNSSMCTSA-N	412.555	5.100	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1	780486026	OYFFDGUKWZECAX-CJFMBICVSA-N	411.505	5.275	30	20	HKED	
C[C@@](O)(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	780892848	ORWYAQHAQAAMLK-ZJSXRUAMSA-N	404.897	5.232	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	783937774	GXWBHTGRAPDCHL-INIZCTEOSA-N	404.436	5.155	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1	789456178	NDJHGGKTKZXLJX-UHFFFAOYSA-N	407.558	5.291	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2C[C@@H](C)CC[C@H]2c2ccccc2)c1=S	795706765	UBOMKSITIDTOMX-RXVVDRJESA-N	405.571	5.093	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc2nc(-c3ccccc3)oc2c1	796612388	LHZGLRAXQWRUQN-UHFFFAOYSA-N	418.456	5.244	30	20	HKED	
CCN(c1ccc(NC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1)C(C)C	812454644	MXHLDKBSXVAHQL-FQEVSTJZSA-N	404.539	5.291	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2cnc([C@H]3CCCO3)s2)cc(C(F)(F)F)c1	814948782	FPAHIDMFPCVMPB-CYBMUJFWSA-N	409.355	5.478	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(F)cc1	915085149	HECSVMQTJBCBAD-QHCPKHFHSA-N	410.452	5.228	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1	915351684	AYBYSWRHLMJNTG-SANMLTNESA-N	417.512	6.253	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(CN3CCCC3)c2)cc1	915352133	FLZACDWDCUPRBS-AREMUKBSSA-N	424.548	5.260	30	20	HKED	
Cc1cccc(-c2nn(CN(CCC#N)CCC#N)c(=S)n2[C@H]2CCCC[C@H]2C)c1	915794559	UYRUHOFXENZMHS-CTNGQTDRSA-N	422.602	5.228	30	20	HKED	
COc1ccc2cc(C(=O)/C=C\c3cn(CCC#N)nc3-c3ccccc3)ccc2c1	916137451	UQVIWKLZYOLDKB-QBFSEMIESA-N	407.473	5.522	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916681852	ZXTVMICCNNUYEI-OPAMFIHVSA-N	405.448	5.845	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	916904895	KCJRVIDDLQDVKA-IQGVVSCOSA-N	416.864	5.493	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12	916919273	VIFSROBMAGREQV-QHCPKHFHSA-N	422.484	5.500	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	916946579	YVUIPRZYZRVBPA-KRWDZBQOSA-N	407.322	5.455	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3cc(C)ccc3Cl)n2)cc1	916975200	WHIOWSYKFZBMTM-WBVHZDCISA-N	410.926	5.724	30	20	HKED	
Cc1cc(Br)ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	917119567	MUZFWNVILKOCAU-OAQYLSRUSA-N	405.295	5.665	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1OC	917408530	ULJOPOVRFONMNZ-BENRWUELSA-N	404.466	5.184	30	20	HKED	
N#C[C@H](C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)c1nc2ccccc2o1	917509875	GNFHESKTCVFTQF-UMSHPIDHSA-N	416.839	6.037	30	20	HKED	
N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	918492114	MKUCDIKZKDDOKF-CYBMUJFWSA-N	407.322	5.103	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1	1789905244	LWYXIKKMEJXPFC-UHFFFAOYSA-N	422.337	5.106	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1	1818800278	GLISVEVYNXUKPQ-AZUAARDMSA-N	412.578	5.141	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c(F)c1	10144206	IYQUITKCCIWNAX-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
N#Cc1cccc(/C=C(\Cl)c2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)c1	14179897	UXLLRNHRHQBQKV-MFOYZWKCSA-N	424.312	5.914	30	20	HKED	
Cc1nc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2s1	14496493	PEZJKGRUNQSJBS-UHFFFAOYSA-N	401.516	5.880	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccoc1C	32559537	CZHWHPLDKPXIQO-PXNSSMCTSA-N	424.570	5.171	30	20	HKED	
Cc1nc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc1SCC#N	44789597	BGKKUHFVEHORQK-QGZVFWFLSA-N	411.577	5.539	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Cl)c2Cl)cc1	55823624	OZICNDUOZRNCNA-UHFFFAOYSA-N	411.288	5.891	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](CC)c2ccc(OC)cc2)cc1OC	60844355	DKDUNWCGXSKCKD-LJQANCHMSA-N	420.347	5.272	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	61080578	GQABJPIHFUWDDT-NSHDSACASA-N	417.506	5.641	30	20	HKED	
N#Cc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	61431153	GDHPSVFJNDOVLL-UHFFFAOYSA-N	412.880	5.246	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccc(OC(F)F)cc1	104900626	NRJDCUAQHLVKTG-UHFFFAOYSA-N	424.472	5.283	30	20	HKED	
N#Cc1ccc(CC(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1	116451478	LAHDWBIHQQMHDV-UHFFFAOYSA-N	423.541	5.500	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1sc(COc2ccc(F)cc2)nc1C	195721615	LXJFFLFTPHMTHC-UHFFFAOYSA-N	410.514	5.041	30	20	HKED	
C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccc(NC(=O)c2ccccc2)c1	301304091	SVJDUTZAYSXNAQ-CQSZACIVSA-N	410.399	5.397	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F	303324930	IMQYTAUWXLFVON-LLVKDONJSA-N	418.437	5.040	30	20	HKED	
CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)C2=O)cc1	303969414	ZMUGOYDIVMXXLI-XLIONFOSSA-N	421.566	5.196	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c1	409929611	AVXINUIJRNJYCS-WOJBJXKFSA-N	415.320	5.039	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1	427436293	QMGREESEODFGCD-UHFFFAOYSA-N	419.525	5.265	30	20	HKED	
CO[C@](C)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1F	428923294	QXEFCPBDQLUEQU-DEOSSOPVSA-N	404.441	5.298	30	20	HKED	
CCOc1ccc(Br)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	432795840	ZCZCPSSVEWRWTK-KRWDZBQOSA-N	416.319	5.404	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1Cl	434219452	DNHMDAKKULIWFD-QFIPXVFZSA-N	419.887	5.725	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2csc(-c3ccc(F)cc3)n2)cc1	437260937	WWJZPPJXDXONGC-UHFFFAOYSA-N	407.514	5.376	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1F	438650084	OPBKYCORXNPXGK-NRFANRHFSA-N	419.431	5.998	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1C	441301350	JHFKONCYUDITBB-LBPRGKRZSA-N	418.143	5.429	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)c(C)c1O	443555133	AXDZXVUBOBLAMR-UHFFFAOYSA-N	414.465	5.085	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)c2ccccc21	444021871	PHHKOCWXYMXOGG-UHFFFAOYSA-N	420.419	5.347	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)c(C)c2)n1	446166675	CTCXZDKFDXMYED-UHFFFAOYSA-N	401.463	5.313	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1Cl	446842353	VWQCVRQCQOKHTM-PZJWPPBQSA-N	419.916	5.478	30	20	HKED	
C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1nc2ccccc2s1	460788463	VQEYBVLIBRZOJP-IBGZPJMESA-N	416.554	5.176	30	20	HKED	
C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)nnc1-c1ccco1	463249866	JDBUDMBOANKDKC-HNNXBMFYSA-N	424.309	5.037	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)s2)cc1	463777751	VQZXAXCJUGEHQI-HNNXBMFYSA-N	418.305	5.120	30	20	HKED	
N#CC1(c2ccc(C(=O)N[C@@H]3CCCc4sc(-c5ccc(F)cc5)nc43)cc2)CC1	464219106	AKWKVAJUPNOJLQ-LJQANCHMSA-N	417.509	5.312	30	20	HKED	
CC[C@@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	465267470	YOPUXUVJJIYRDF-SNVBAGLBSA-N	400.319	5.201	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1	466607710	MFTWKQBZMMRKFK-JOCHJYFZSA-N	412.493	5.096	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nc2sccc2c1=O	468625591	RKPVEFFFJVDXOE-AWEZNQCLSA-N	424.551	5.164	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cnc(-c4ccccc4)s3)ccc21	469191576	VOOZNTHYWPWUCN-UHFFFAOYSA-N	402.523	5.005	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1	471177547	QHOFRQNPTWMUOJ-UHFFFAOYSA-N	407.301	5.120	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	475576654	ASOIWEVLTOHCGO-NFBKMPQASA-N	405.586	5.713	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cc1	476658708	AOUQXDGIICVFQB-OAQYLSRUSA-N	414.509	5.295	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(-c2nccn2CCCC)c1	477996512	SKHDOWZKGCSPMJ-UHFFFAOYSA-N	422.529	5.046	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1	479600413	MAEXUCPQUDFPOT-OAQYLSRUSA-N	416.502	5.129	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(SCc2cccnc2)cc1	479919219	ZAETWXGLHLXNJG-UHFFFAOYSA-N	403.507	5.042	30	20	HKED	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	480657392	FZDRKDZEPVTONS-HSZRJFAPSA-N	421.541	5.259	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(-c2ccncc2)noc1C	481507489	IYCURSXVOBVFMW-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nccc2ccccc12	483231017	MYNGYWMPDFVGLW-FQEVSTJZSA-N	421.485	5.034	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C	485760097	VPZDZOHEXUSECS-ROUUACIJSA-N	422.594	5.644	30	20	HKED	
Cc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)CC(C)C	486589766	VLTGXSRSLZPBEW-UHFFFAOYSA-N	421.585	5.304	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)[nH]1	487980748	VUBHYAOXXPJUJT-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
Cc1cc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)ccc1C#N	488303507	WMSZTOBLKCKUEM-AWEZNQCLSA-N	412.356	5.604	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccccn1	488908631	ASLWGWFNBPPGGV-OAQYLSRUSA-N	402.498	5.547	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1	502877629	OUINPALKNKSQFU-HUUCEWRRSA-N	402.416	5.097	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cccc(F)c3C2)cc1Cl	503641932	ISBLIVUTCSSDBP-HXUWFJFHSA-N	419.887	5.725	30	20	HKED	
N#C[C@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1cccc(C(F)(F)F)c1	505928160	KDPQMPVJANEJMA-VQTJNVASSA-N	402.416	5.087	30	20	HKED	
C=CCC[C@@H](NC(=O)NC[C@@H](C)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	506375531	QLUHURNMMWOAKS-FZKQIMNGSA-N	409.452	5.420	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)cc1Cl	506479481	XUERXCKXBDTMDB-IIDMSEBBSA-N	406.835	5.913	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(Br)c1Cl	506699405	BHXBUDRKMWBQOX-RDJZCZTQSA-N	403.707	5.014	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)c1	507169940	LDGITLPBNVXSQS-UHFFFAOYSA-N	417.431	5.240	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	508581608	VYNUIKQLOGGSCQ-UHFFFAOYSA-N	411.914	5.298	30	20	HKED	
C=CCN(C(=O)c1coc(C2CCCC2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	509030700	DAMKZRXBQFTHCC-UHFFFAOYSA-N	424.482	5.197	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	511885168	OURBVULJQKKEJQ-UKRRQHHQSA-N	400.338	5.017	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1	512621346	XCLASURROANWCN-MRXNPFEDSA-N	416.443	5.262	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](CC(F)(F)F)c3ccccc3)c2)c1	513647452	HTHBXRNABZWACR-QHCPKHFHSA-N	410.439	5.921	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)cc1	513748947	MFOMPNOIADDMRO-VGSWGCGISA-N	408.498	5.139	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)c(C(F)(F)F)c1	515256585	HLSOAORVOSZOHO-UHFFFAOYSA-N	420.438	5.265	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2cc(C#N)ccn2)cs1	515289853	YADGKFSQNVDSKQ-UHFFFAOYSA-N	400.916	5.040	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	515540173	MJXNVJPEIIJARQ-CQSZACIVSA-N	409.923	5.872	30	20	HKED	
CN(Cc1ccc(C#N)cc1)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1	515547165	SNJUOGJAMGRUNA-UHFFFAOYSA-N	400.913	5.242	30	20	HKED	
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1	517792638	OKJOGUWYKRFQOE-UHFFFAOYSA-N	413.905	5.219	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	518164447	CIADLGSCUDVCOE-SIIHOXLZSA-N	419.472	5.635	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCOc2c(Cl)cccc21	518754490	OSRVUMGLEMGGST-BBRMVZONSA-N	401.919	5.380	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(C#N)cc2)cc1OCC	518779452	SAFGOLCGULROGK-OAHLLOKOSA-N	415.331	5.135	30	20	HKED	
Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)n1	520921021	JNVQENQHXVRLJS-CQSZACIVSA-N	419.510	5.196	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccccc1OC(F)F	522816019	KECKROFMSVCVAY-UHFFFAOYSA-N	422.431	5.228	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	523985742	NZVVXBUNFFEAQH-UHFFFAOYSA-N	407.301	5.071	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)COc2ccc(C#N)cc2)C(C)C)cc1	525594211	MEDXQTIJMIDQEI-UHFFFAOYSA-N	414.505	5.050	30	20	HKED	
COc1cnccc1[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	525841973	AGKBFBVRGHATQS-MGPUTAFESA-N	420.900	5.282	30	20	HKED	
N#CCc1ccnc(NC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)c1	531925243	OQDCNZMGKXYIRX-HXUWFJFHSA-N	411.889	5.412	30	20	HKED	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)N1CCC(CC#N)CC1	541040661	DUSGIQZLCUYQFK-UHFFFAOYSA-N	411.527	5.058	30	20	HKED	
C[C@@H](NC(=O)N1CCO[C@H](c2ccsc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	542091352	ZKHFOKYURHFSPG-HXOBKFHXSA-N	417.534	5.131	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccccc3SC[C@H](C)C#N)CCC2)cc1OC	544444855	QLVDHNDHUAKZDG-MRXNPFEDSA-N	410.539	5.016	30	20	HKED	
Cc1nc(C2CC2)oc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	545449516	YYKURONPAJWKQH-CYBMUJFWSA-N	418.305	5.781	30	20	HKED	
N#CCCC[C@@H](N[C@@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccccc1	550826792	HIQTZESXXIGZTM-NHCUHLMSSA-N	405.542	6.351	30	20	HKED	
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(I)cc1	556203394	MIHWUYWPOKGMFD-KXBFYZLASA-N	404.295	5.377	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCC(C)(C)CCC#N	557984641	WGEJGBIQDDSSNY-UHFFFAOYSA-N	424.570	5.085	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4s3)s2)c(C)c1	558256478	JFZFWNYMUJMTRF-INIZCTEOSA-N	403.532	5.835	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3cc(Cl)c4c(c3)OCCCO4)cc2)ccn1	562081862	VBMHVRIWPAWKJY-UHFFFAOYSA-N	407.857	5.172	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1	562171913	WJWUOYQYXSPWSP-AWEZNQCLSA-N	419.497	5.196	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccccc1	564641280	OHEHWZCZOHUBCI-SFHVURJKSA-N	405.420	5.407	30	20	HKED	
Cc1ccc(-c2nc(CCNCc3cccc(OCc4ccccc4C#N)c3)co2)cc1	571829006	VNIGZRZQMJVONI-UHFFFAOYSA-N	423.516	5.433	30	20	HKED	
Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](CCCC#N)c1ccccc1	572906844	OKLDATITOZVVGU-JOCHJYFZSA-N	423.358	5.468	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1c(Cl)cccc1Cl	574660263	VEDZEULMXWDMEQ-UHFFFAOYSA-N	401.249	5.314	30	20	HKED	
C=CCOc1ccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)cc1Cl	589647082	FSTCSATVGYCJRO-UHFFFAOYSA-N	417.940	5.593	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	590336786	QLOJITKJAPBTCE-ABAIWWIYSA-N	406.301	5.541	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603692037	PIUXGCIBEAQBCZ-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1Cl	603758721	CKDQGDCXHNXOPX-QGZVFWFLSA-N	415.802	5.662	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1Cl	603766658	SBYMVHDLOIYZGT-NRFANRHFSA-N	412.880	5.433	30	20	HKED	
C=CCN(C(=O)C[C@H](C)c1ccc(C(C)C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1	606196922	VVBLBEOSZXMGRL-VQTJNVASSA-N	417.557	5.055	30	20	HKED	
C=CCc1cc(CN[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc(OC)c1O	608061849	LJHFKGGFQLASFV-SFHVURJKSA-N	403.522	5.656	30	20	HKED	
CC(C)CN(C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(C#N)cc1	608936086	PUJJXVDKRAETPU-UHFFFAOYSA-N	418.566	5.074	30	20	HKED	
C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1	609222167	VJCBQSZPYDUEHC-OAHLLOKOSA-N	416.868	5.315	30	20	HKED	
CCN(C(=O)c1nn(-c2ccc(C)cc2C)c2c1CCC2)[C@@H](C)c1ccc(C#N)cc1	609297552	XFRGIBZRPDXULT-IBGZPJMESA-N	412.537	5.073	30	20	HKED	
CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	609638859	LBHDXJOGNCSHNF-LBPRGKRZSA-N	416.852	5.002	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	609811284	XQXFGPOKQYPXTR-UHFFFAOYSA-N	408.458	5.254	30	20	HKED	
Cc1cccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SCCC#N)c1	609813013	PYHPKWFIAHRUTM-NRFANRHFSA-N	421.566	5.083	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	610015718	QNPOXCYQQHULEW-FYYLOGMGSA-N	418.928	6.005	30	20	HKED	
COc1ccc([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2Cl)cc1	610056119	ZGFJYFGPFYEVDA-XMMPIXPASA-N	404.897	5.059	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C	610199314	PIVPXWRWXOKZMC-HSZRJFAPSA-N	400.478	5.324	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1C#N	610936416	PRFVNEGFHSMQDW-SFHVURJKSA-N	402.498	5.238	30	20	HKED	
Cc1nnc(SCc2ccc(C#N)cc2Br)n1[C@@H]1CCC[C@H](C)C1	611492251	DCIPKLKCBUIXCC-BLLLJJGKSA-N	405.365	5.264	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@@H]2c2ccco2)cc1Cl	614138907	CKYQCNTXFXIETN-PZJWPPBQSA-N	421.884	5.194	30	20	HKED	
CC(C)(C#N)c1ccc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1	614173430	RIMVPVCDIDKVKW-LJQANCHMSA-N	404.489	5.056	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc2ccccc2o1	614439661	CDNBQTKIMDXADS-FQEVSTJZSA-N	418.456	5.479	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1C1CCCC1	618349647	WIJRVUUWUQMYCJ-UHFFFAOYSA-N	402.458	5.010	30	20	HKED	
C=C(C)CN(CC)C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	636608871	BNNIKYJKIPAPHN-CPNJWEJPSA-N	406.551	5.660	30	20	HKED	
C=C(CNC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)c1ccccc1	672642902	XUKJWESIOLAWTH-UHFFFAOYSA-N	400.482	5.474	30	20	HKED	
CC(C)(C)c1noc(-c2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)n1	679540573	LGCACLLMMWZBHT-HNNXBMFYSA-N	420.469	5.273	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(OCc2ccc(F)cc2)CC1	682777386	RFAGENKZYUAWGL-UHFFFAOYSA-N	410.533	5.891	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)ccc1OCC#N	727653983	DPZQRZXOKJROKB-OQFOIZHKSA-N	424.909	5.579	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1	727952829	SCTFIPOOJIRXGW-JOCHJYFZSA-N	414.505	5.322	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1N[C@H](C)C(=O)Nc1ccccc1C#N	728067114	YBVAGPOEIVOSKD-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
C#Cc1ccc(C(=O)N(CCC)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1	728800970	KFWZXJOVVKYZTD-UHFFFAOYSA-N	416.333	5.550	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc(Cl)c4cccnc34)cc2)nc1	732401578	HUGQLLJDIKKCFK-UHFFFAOYSA-N	415.836	5.304	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)s2)cc1	732989653	NOZDCRDFVDFQPC-FQEVSTJZSA-N	424.476	5.253	30	20	HKED	
COc1cc(/C=C2\CCOc3c(Br)cccc3C2=O)ccc1SC	733749398	VSNOYZLQTSZBTA-JLHYYAGUSA-N	405.313	5.228	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c1	733803155	TUJHPPCCFOEZGB-LPHOPBHVSA-N	420.538	5.051	30	20	HKED	
CCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1	733843760	AKTGWKZTUHWSEQ-MRXNPFEDSA-N	421.419	5.107	30	20	HKED	
C=CC[C@@H](NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1ccncc1	734234040	FRTQUBJPCGMGEO-GOSISDBHSA-N	413.930	5.126	30	20	HKED	
CC[C@H](NC(=S)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccs1	734374671	BCGJOECPJOEGIQ-SFHVURJKSA-N	423.563	5.858	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(Nc3ccccn3)n2)cc1	736070462	ZVAVDWPCPHVJLT-LJQANCHMSA-N	411.490	5.189	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(C(F)(F)F)cs2)cc1	741058848	JKCXUFWJUUDRKK-INIZCTEOSA-N	416.428	5.139	30	20	HKED	
O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	741448370	XAUDKIUCCVTMEN-VGOFMYFVSA-N	408.441	5.318	30	20	HKED	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	743216504	QJTRAUSDOKVNES-UHFFFAOYSA-N	416.447	5.231	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Cl)c(C(F)(F)F)c1	746857766	SCRQRFIOGXCSNR-UHFFFAOYSA-N	403.791	5.108	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(F)cc(F)c2O)cs1	757476420	RHHOOIZOLKRMOW-VMPITWQZSA-N	414.433	5.016	30	20	HKED	
CCCOc1c(Cl)cc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)cc1OC	758063140	RWEAAXSWKWVNGA-PLNGDYQASA-N	423.943	5.139	30	20	HKED	
CC[C@@](C)(CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1OCCO1	758536313	VEMVAMIIWYUQDE-DHLKQENFSA-N	421.541	5.033	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)CC1	763927500	JXGVNXPUOMKLDY-UHFFFAOYSA-N	422.960	5.450	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	765235230	RTZCRKKLDJFRDT-HSZRJFAPSA-N	413.525	5.996	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCc2c(Cl)cccc21)c1nc(-c2c(F)cccc2F)cs1	776084417	ODVRRFLUQNABGL-KBPBESRZSA-N	414.864	5.648	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2coc(-c3ccccc3Cl)n2)cc1	776517410	RAIQIBZRMPXYRC-KDOFPFPSSA-N	421.884	5.470	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1cnc(-c2ccc(Br)cc2)s1	779609763	WYCBUXVPSLPQHI-UHFFFAOYSA-N	418.291	5.226	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1ccccc1O[C@H](C)C#N	780681684	OBOHWPRJBYAMGX-WBVHZDCISA-N	420.538	5.634	30	20	HKED	
N#CCCn1cc(CNc2ccc(OCC3CCCCC3)cc2)c(-c2ccncc2)n1	788524158	PDHUPNVCDDBGGQ-UHFFFAOYSA-N	415.541	5.430	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)n1	788598179	JXTOGMCLWSLPJP-HXUWFJFHSA-N	416.525	5.019	30	20	HKED	
COc1cc2c(cc1NC(=O)c1cc(-c3cccc(C#N)c3)no1)oc1ccccc12	789881533	QUPKQWUEXFDTTA-UHFFFAOYSA-N	409.401	5.374	30	20	HKED	
O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc2nccnc2cc1F	791622092	FVWRSEHLLJFGSD-OAHLLOKOSA-N	418.268	5.248	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)[C@@H](O)c3cccc(C(F)(F)F)c3)cc2)c1	796304251	IKDNYPOCPYHJCP-FQEVSTJZSA-N	412.367	5.041	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sc2cc(Br)ccc2c1Cl	798038190	UKLKDDJUEBAVKB-BONVTDFDSA-N	414.752	5.028	30	20	HKED	
CC(/C=C/C(=O)c1ccc(S(C)(=O)=O)c(F)c1)=C\c1ccccc1C(F)(F)F	799891351	CTCNUPHGNVEPRG-PTSVWTKZSA-N	412.404	5.090	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1cnn(C2CCCC2)c1	799895202	FCHVWGZLLWXAGC-KHPPLWFESA-N	409.493	5.142	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(Cl)nc1C(F)(F)F	800129425	YPUAPCIXUUNAFD-UHFFFAOYSA-N	416.680	5.086	30	20	HKED	
Cc1ccc(-c2cc(-c3nnc(SCCO[C@@H](C)C#N)o3)c3ccccc3n2)cc1	801657137	XJGASDPXKAKDPQ-INIZCTEOSA-N	416.506	5.281	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCSc1cccc(Cl)c1	808979859	NYRKBPZEOVQQHQ-IBGZPJMESA-N	414.958	5.295	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(C(F)(F)F)cc2O)ccc1OC	810225445	DJDKEZMPQIZPAQ-SJLPKXTDSA-N	422.447	5.341	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccc2c(c1)CCCC2)c1cc(C(F)(F)F)ccn1	813212483	CVSKEMCUBQTGSJ-LJQANCHMSA-N	402.416	5.015	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1	817320073	WWNXCNCJDDEDEJ-QFIPXVFZSA-N	406.489	5.462	30	20	HKED	
COC(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1F	844728567	OZNVVNDVOSEXAW-UHFFFAOYSA-N	420.465	5.029	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2coc(-c3cccc(Cl)c3)n2)cc1OC	914572312	OPQLYOXQWULPEE-UHFFFAOYSA-N	421.280	5.606	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915086389	JQMNLLKPMSTPQC-OPAMFIHVSA-N	417.490	5.370	30	20	HKED	
Cc1cc(C(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)s1	915087839	XOGOANIGCBXXHB-JOCHJYFZSA-N	402.519	5.622	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(-c3ccccc3)n2)cc1Br	916134145	DYJHDTGUSYQUAI-CMDGGOBGSA-N	400.297	5.477	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccccc3F)o2)cc1	916955130	MYDGVCFKTSEQMJ-HNAYVOBHSA-N	404.441	5.560	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cs1	917552398	PYNOOCFJSSCAJT-KRWDZBQOSA-N	406.555	5.636	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2cccc(C)c2)c1=S	917617814	UWEDFDZXKFMBEB-NRFANRHFSA-N	420.582	5.379	30	20	HKED	
Cc1cc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1Cl	920141035	GUOZMVIKVVBLDF-KSSFIOAISA-N	421.909	5.287	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3coc(C(C)C)n3)cc2)CCC1	1787027007	UKRCOYLEMNIUKJ-HXUWFJFHSA-N	421.541	5.314	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2)CC1	1826366116	NHXNCRAGKFVLFL-VWLOTQADSA-N	422.613	5.007	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1	1831367032	DTCZAGGDPOPWBD-FTBPSBKWSA-N	424.629	5.258	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C(C)C)cc2)c1	11265145	VKOHCCPSZMEZFT-UHFFFAOYSA-O	423.627	6.135	30	20	HKED	
N#CCCSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1	20969545	CKGQFVADOVZBQI-UHFFFAOYSA-N	409.565	5.175	30	20	HKED	
C[C@H]1CN(Cc2csc(/N=C(\O)c3sc4ccccc4c3Cl)n2)C[C@@H](C)O1	22300608	GGAVYTDCTZCJGA-TXEJJXNPSA-N	421.975	5.257	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21	29599950	BFOZESFJGURKEN-ZDUSSCGKSA-N	405.445	5.360	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)no2)nnc1-c1ccccc1OC	29831828	WSQSNAGGHKOUDG-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC	46706890	LVPKNYNUOJDQON-MRXNPFEDSA-N	412.898	5.361	30	20	HKED	
COc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OC1CCCC1	49330558	PRSIJZIYEOWXAH-SJORKVTESA-N	407.514	5.010	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc([N+](=O)[O-])c1	55465287	GYIZWKBBROCXIW-OAHLLOKOSA-N	403.463	5.109	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(SCc2csc(C)n2)cc1	56477477	NUMCYDLQKPLCQQ-UHFFFAOYSA-N	409.536	5.267	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1	56629390	UZXRTPODTGXWSV-UHFFFAOYSA-N	406.505	5.414	30	20	HKED	
N#CCc1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1	58045469	YSVIFKWGSWIDMH-UHFFFAOYSA-N	403.507	5.028	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Cl)c(C#N)c3)c12	58537748	UCDUCQJWPHWVCN-UHFFFAOYSA-N	406.804	5.115	30	20	HKED	
Cc1c(C#N)c(NC(=O)CS[C@@H]2CCCc3ccccc32)n(Cc2ccco2)c1C	64331843	GNGUKZZFHGBDOD-JOCHJYFZSA-N	419.550	5.367	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1	64456151	RGBNVJSFWNMSBJ-UHFFFAOYSA-N	422.897	5.181	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(CCC)cc2)nnc1-c1ccccc1OC	79399549	QDNXPQNMCFRTLW-UHFFFAOYSA-N	407.539	5.067	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	107648210	IWFACUYXSVENAR-LJQANCHMSA-N	422.937	5.967	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4ccc(F)c(F)c4C3)cc2)cc1	426118308	YIXNNEOVPWMSBG-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(C#N)cc3Cl)c2C2CC2)cc1Cl	430366275	PTTKTXRVADDYHO-UHFFFAOYSA-N	411.292	5.489	30	20	HKED	
COc1cc([C@@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1OC(C)C	435142399	HARFKZBSJAJEKF-GOSISDBHSA-N	419.525	5.232	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1	436365032	QTZJWTLPGGOJSF-MSOLQXFVSA-N	409.283	5.107	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1	436450336	HIBZLIHBALJITO-HXUWFJFHSA-N	412.917	5.133	30	20	HKED	
O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1C(F)(F)F	437434176	PUKJJWJCUURIDA-YEORSEQZSA-N	405.313	5.539	30	20	HKED	
CC1CCN(c2cccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)CC1	438297260	HABKDMIJCPFSJQ-RPWUZVMVSA-N	402.542	5.227	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(N(C)c2ccccc2)CC1	438640891	IYMGWWJGZJCHCW-GOSISDBHSA-N	408.571	5.214	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1NC(=O)c1ccco1	439371031	OKTSXPSDUQHDKN-FQEVSTJZSA-N	402.454	5.007	30	20	HKED	
CCCc1c(NC(=O)CC2CCC(C(F)(F)F)CC2)cnn1-c1cccc(C#N)c1	440087645	KZQOAUBMUQEFOP-UHFFFAOYSA-N	418.463	5.394	30	20	HKED	
CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	443613282	AWKUVIZOBIUIIE-UHFFFAOYSA-N	408.505	5.438	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1	443941694	WRHIASIUTMKMPD-CVEARBPZSA-N	415.946	5.277	30	20	HKED	
O=C(CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1	444745214	SPURYKRNADXBQC-HNNXBMFYSA-N	408.317	5.066	30	20	HKED	
C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1	460943751	AIKVFSKHXNCEDW-BDTNDASRSA-N	424.589	5.123	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1	464936853	DFVRZOVNHHRVAX-HBGVWJBISA-N	400.444	5.497	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1	467334338	GUIKUBGIDMPLDZ-BEFAXECRSA-N	415.946	5.197	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1	468253053	OIWWKSTUXGPUGF-LJQANCHMSA-N	416.502	5.180	30	20	HKED	
O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N(CCC(F)(F)F)CC(F)(F)F	468543270	NNZYFUNVVMCKMC-UHFFFAOYSA-N	418.309	5.045	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1	470510391	WOZIXQPSODOXKK-UHFFFAOYSA-N	417.494	5.265	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc(C(F)(F)F)c1	471708958	JQUGWLLNMOSQKS-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
Cc1nc2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)ccc2n1Cc1ccsc1	472712806	IFXNQBIBGHVZQN-QGZVFWFLSA-N	420.563	5.525	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)N(CCC#N)Cc2ccccn2)cc1	473683442	SHCVYAMOMKLHKC-UHFFFAOYSA-N	416.481	5.220	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1	475556741	SGCZQVDXQUBHEP-FQEVSTJZSA-N	410.562	6.194	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1-n1nc(C)cc1C	475581056	NGGHULJBNOKYDY-UHFFFAOYSA-N	402.542	5.663	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(-c2cccnc2)cc1	475615415	KDSWAKWLNXTGHG-MSOLQXFVSA-N	416.550	6.026	30	20	HKED	
CCc1cnc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	475633236	GHGYUTCAHQYLCB-UHFFFAOYSA-N	420.538	5.129	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481681727	DZJINXRAERNGET-UHFFFAOYSA-N	421.497	5.558	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cs1	483221786	ARILSUBMLSWXTD-KRWDZBQOSA-N	416.531	5.177	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(Br)c1	484426795	RMFVFHZSFRACQL-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
N#CCCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2	486563118	GJIFCLHBGSHBCO-UBYHDMKMSA-N	414.496	5.103	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCCc3cc(F)c(F)cc32)cc1	487207142	KNXKFJIZEQKQHP-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(C(C)C)cc2C(C)C)nnc1-c1cnccn1	488900866	SBGCNPAYCLDPDD-UHFFFAOYSA-N	421.570	5.143	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(C)cc1	489629653	CFKCHNGWAOUBLC-AWEZNQCLSA-N	409.540	5.404	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)[C@H](c3ccccc3)N3CCC(C#N)CC3)n2)cc1	494800657	ONNFHVLGXATMIS-QFIPXVFZSA-N	416.550	5.034	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1	500308631	ZJFZYHLZVOPFMI-RTWAWAEBSA-N	411.343	5.109	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4cccs4)on3)c2)cc1	501473003	GJHNPKYBPMXTQS-UHFFFAOYSA-N	415.474	5.300	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1	503830445	SJGKUVAGFZVVRD-UHFFFAOYSA-N	422.550	5.234	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)CC2)cc1	505142531	MLAPFZMZNRXMIY-UHFFFAOYSA-N	414.292	5.030	30	20	HKED	
N#C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1c(Cl)cccc1Cl	505533018	OASBARYAVFWTDE-KRWDZBQOSA-N	414.292	5.352	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	505819421	FRZZLUYPBRAECQ-LJQANCHMSA-N	403.894	5.358	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1	505827856	SIGJCBKRLKIEMR-SFHVURJKSA-N	418.324	5.363	30	20	HKED	
COCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccco1	506948844	HQKLCSOOKIEGIC-OAQYLSRUSA-N	405.454	5.151	30	20	HKED	
C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	508741182	VOCAGFMDEPJFGM-MRXNPFEDSA-N	421.476	5.005	30	20	HKED	
Cn1cc(Oc2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cn1	509563727	KKECGZGGPKSTKQ-UHFFFAOYSA-N	410.433	5.129	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)o2)c1	511143173	PLAWISBEGVQFKE-SFHVURJKSA-N	412.415	5.007	30	20	HKED	
CCCCN(C(=O)CSCC#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	512160213	OVVPHYOHVKXUPM-UHFFFAOYSA-N	414.383	5.507	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCCN(C2CCC2)C1	512831704	HDPPLRUDXGAXSY-ICSRJNTNSA-N	418.541	5.125	30	20	HKED	
CCOc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	513988353	XIMSCAYWIWZEGW-UHFFFAOYSA-N	403.457	5.330	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1Cl	514515169	JIPUAZWPLBNNHI-GOSISDBHSA-N	403.894	5.857	30	20	HKED	
Cc1c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1cccc(Cl)c1	514781450	GMOHJMDBEPOEMA-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
C=CCc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1OC	515540350	PGRYSZYANHGRLH-OAHLLOKOSA-N	412.898	5.185	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4c(Cl)cccc4c3C)n2)cc1	516713682	GZWNSSLPMNWRRE-INIZCTEOSA-N	422.893	6.017	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc4c3CC[C@H](C)C4)n2)cc1	517800795	JNJJSSGXDYTCRW-GUYCJALGSA-N	408.548	5.495	30	20	HKED	
C[C@H]1CCc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)csc2C1	518516789	YKDPXISAQZFMRJ-SUMWQHHRSA-N	403.532	5.358	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	519251941	VFRQJXCGXHGXHM-INIZCTEOSA-N	407.351	5.399	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nc2cc(Cl)ccc2s1	520199030	PURFIRQJIFWHFV-LBPRGKRZSA-N	416.959	5.666	30	20	HKED	
COc1ccc(CCCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	520357589	DILYYQVINMHHLY-UHFFFAOYSA-N	416.496	5.571	30	20	HKED	
CCN(CC)Cc1ccccc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	520854982	AFKANYXGTHMWKL-GOSISDBHSA-N	410.587	5.102	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	521605724	ASISIECEYLCNRT-ZRBLBEILSA-N	416.908	5.746	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	521606199	VUXQUVLQWPKPRK-KRWDZBQOSA-N	406.448	5.129	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2	522590054	BIRWMKZNKBTFPY-UHFFFAOYSA-N	419.356	5.212	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	524679151	VTVBJOYKPVQMFN-JOCHJYFZSA-N	402.498	5.586	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([C@H](O)C(F)(F)F)CC1	531731727	BEMQYCNCRQYOBU-OTYXRUKQSA-N	423.319	5.420	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)o1	533289238	AVBDKAJUOUXBCL-YLJYHZDGSA-N	411.571	5.396	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc([C@H]3CCOC3)c2)cc1	535624235	NGWXUUKBJFHHJS-QFIPXVFZSA-N	412.489	5.088	30	20	HKED	
C=CCCC[C@H](C)NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C	538338138	ZIKUXXYJDUTDIL-ZDUSSCGKSA-N	408.926	5.576	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1	539338656	YYIQYPLBEMULGD-XZOQPEGZSA-N	402.881	5.139	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NCCCC2(C#N)CCOCC2)cc1	539711911	WTJHVYCIQGVYMT-UHFFFAOYSA-N	400.906	5.653	30	20	HKED	
C[C@H](N[C@@H]1c2cc(Br)ccc2SC[C@H]1C)c1ccc(C#N)c(F)c1	540707946	JPCLVEMLDKUBLB-UFYHVXEKSA-N	405.336	5.594	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1sc(-c2ccccc2)nc1C	542395157	LLDXCFYVDNEFEJ-UHFFFAOYSA-N	408.483	5.247	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC1	543828543	WZHOGPNAIFCQJI-UHFFFAOYSA-N	404.392	5.050	30	20	HKED	
N#CCCC[C@@H](N[C@H]1CCSc2ccc(Br)cc21)c1ccccc1	559863722	LOZXRPHFRURYMH-MOPGFXCFSA-N	401.373	6.011	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(Oc3cccnc3)cc2)c1	561846253	MZGIQZUMOGRINU-HXUWFJFHSA-N	414.509	5.238	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(CCC#N)c2ccc(F)cc2)c1	562266236	PVMUFFISMPNQEX-UHFFFAOYSA-N	415.896	5.414	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1	571337051	KMURGYHUTHDPQA-MRXNPFEDSA-N	402.504	5.127	30	20	HKED	
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(Br)cc1F	588093472	SFSIWJLGRQYZGW-QMMMGPOBSA-N	416.077	5.258	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)c1ccccc1	602138783	PYHOMAPNQAKAEI-KRWDZBQOSA-N	416.452	5.124	30	20	HKED	
CCOc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1OCc1cccnc1	603627696	BWPSLQJWXLLCMC-NRFANRHFSA-N	423.472	5.098	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1Cl	603766243	OOGPGUWQDHGZQT-JOCHJYFZSA-N	412.880	5.433	30	20	HKED	
N#C[C@]1(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCSC1	603886374	NEOWEOWHXKTBEF-LJQANCHMSA-N	423.390	5.415	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)o1	608870683	OILXPJOPNZZQII-UHFFFAOYSA-N	419.500	5.288	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cccc1[N+](=O)[O-]	609062635	AEROVWKQFNBYOY-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
Cc1cccc2sc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c(Cl)c12	609427535	ICVPEQZBZBHATQ-CYBMUJFWSA-N	400.956	6.510	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)S[C@@H](C)c2ccc(C#N)cc2)c(Br)c1	609826155	WQGWWRSAHMKMCL-UONOGXRCSA-N	403.345	5.451	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ccnc3ccccc23)cc1	609907238	AFNBNOHKRJXSSQ-UHFFFAOYSA-N	423.472	5.479	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(CCc2ccccc2)[nH]n1	610124980	PFXMEOPORZJSGI-UHFFFAOYSA-N	424.529	5.470	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)c1cccc(C#N)c1	610770972	VYMKUFFDSJMDCU-OAHLLOKOSA-N	401.432	5.227	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(Br)c1	611111166	XDFOJXSCYXRLFY-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#Cc1ccc(NCc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cc1	612891755	PWLLIDTWOHLMAU-UHFFFAOYSA-N	412.293	5.258	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5n4C(F)F)cc3c2C1	613401543	DAVUVLVUPFXHJO-DYVFJYSZSA-N	418.447	5.528	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1)c1ccccc1	619435656	WIILKVGNRNGHJM-JOCHJYFZSA-N	415.562	5.604	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CNc1ccc(C(F)(F)C(F)(F)F)cc1	675618366	HOBIMWNNFXVGDS-NSHDSACASA-N	422.344	5.250	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1Cl	727629277	QIIHFAPPYBJLQF-HBIYDYFMSA-N	423.925	5.209	30	20	HKED	
COc1cc(/C=C2/CCc3nc(-c4ccc(C)cc4)sc3C2=O)cc(OC)c1OC	727654245	JMJNIROHFSLNEA-BOPFTXTBSA-N	421.518	5.357	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ncc[nH]2)c1	729240520	RNEUBETZAYRJFA-RGEXLXHISA-N	415.405	5.010	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)s1	730420852	HNDKSCKCOWQVTN-LBPRGKRZSA-N	413.524	5.348	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	731288414	URLSJCHRDXWNIR-TZRRMPRUSA-N	410.517	5.416	30	20	HKED	
N#C[C@H](NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1	731644033	NEMWVSYCIXUMOE-AWEZNQCLSA-N	408.335	5.076	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(Br)cc1	733254642	ZSTQLKBXKINIMQ-CYBMUJFWSA-N	405.704	5.312	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(F)cc2Cl)cc1	733622606	VWJNGNVAIVNYQY-NRFANRHFSA-N	407.876	5.499	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)c1	733772938	JDZMMGXYBQZSCI-ILCZHQDMSA-N	402.416	5.106	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)c1	733773962	KQBZHOUXEMQUIH-NADMHLTPSA-N	422.834	5.369	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	742989704	FIINIJLRTNWZHC-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCOc2cccc(Cl)c2Cl)cc1	743449801	VBGSZQIXANCRCM-INIZCTEOSA-N	419.308	5.062	30	20	HKED	
C=CCCOCC(=O)O[C@H](C)c1sc(-c2ccccc2Br)nc1C	744319561	IQVQIQKEFSMNBS-CYBMUJFWSA-N	410.333	5.078	30	20	HKED	
CC(=O)N(c1nc(/C=C2/CCCc3ccccc3C2=O)cs1)c1ccc(F)cc1F	745997264	FRTWZPRCDIRBCO-WJDWOHSUSA-N	424.472	5.709	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1	747113520	KZVZWDRREASETO-INIZCTEOSA-N	421.472	5.687	30	20	HKED	
COc1ccc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OCCCC#N	747361317	KJCYFUIVHPNVKC-IWGRKNQJSA-N	418.449	5.116	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)[C@H](C)C2)cc1C	747972399	YVSPEVVQGOMBDJ-YLJYHZDGSA-N	422.598	5.298	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)s1	750684563	RQNFUBRWECJVMP-SKDRFNHKSA-N	414.886	5.167	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	753143106	UHFAKCPBOAKBQJ-HJWRWDBZSA-N	419.487	5.738	30	20	HKED	
C=CC[C@@H](c1ccncc1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O	761265845	DFSURAKRGYYEAZ-RBUKOAKNSA-N	416.308	5.174	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2cncc3ccccc23)cc1)Nc1ccccc1	772798415	VDEUMXVOQKTFMC-QINSGFPZSA-N	408.457	5.148	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cccc(-c3ccncc3)c2)ccc1OC	772986223	NZMQEWSTYCPURC-JPYJTQIMSA-N	401.510	5.289	30	20	HKED	
C=CC[C@H](C(=O)O[C@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1ccccc1	778429290	VWZJZMAVOGBZEY-XLIONFOSSA-N	412.555	5.100	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)c1	778707418	RGSYCGHSRVBDTA-UHFFFAOYSA-N	404.510	5.022	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	780179391	YBLGQICQDNELLD-SXSPYAJSSA-N	412.489	5.299	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccc(F)cc2)cc1	780671186	SDMFZMOWAZEFLW-MWTRTKDXSA-N	419.456	5.036	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1	782753509	ICMWKZSOIRAUCZ-GAJHUEQPSA-N	400.482	5.129	30	20	HKED	
CCOc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c12	783069691	KMIJKOIYQXLOHX-AWEZNQCLSA-N	409.898	5.249	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1	787254996	ALJJEXAJBATBRF-UHFFFAOYSA-N	409.942	5.185	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1	793572548	ASWJRZWGMRAHQI-IRXDYDNUSA-N	407.963	5.023	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2C[C@H](C)CC[C@@H]2c2ccccc2)c1=S	795706768	UBOMKSITIDTOMX-WIYYLYMNSA-N	405.571	5.093	30	20	HKED	
Cc1cncc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	796766000	WUILTYUCCGCEJC-MRXNPFEDSA-N	416.333	5.629	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)Cc2cccc(C(F)(F)F)c2)ccc1OC	798930491	RPDHACMDNOLXIY-DNVCBOLYSA-N	406.448	5.116	30	20	HKED	
Cc1ccccc1[C@@]1(F)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	800519036	IWKVHIBEBSJODG-ZEQKJWHPSA-N	413.496	5.753	30	20	HKED	
Cc1nc(COC(=O)C(C)(C)c2cc(F)cc(C#N)c2)oc1-c1ccc(Cl)cc1	803924421	OWKXGJOOJWYEPX-UHFFFAOYSA-N	412.848	5.335	30	20	HKED	
CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)CCCCCC#N)ccc21	805697431	VLAZBDRGFUXFLN-KRWDZBQOSA-N	405.498	5.159	30	20	HKED	
COc1ccc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OC(F)F	818246752	XJCBFWHYAYYWAW-TYVLLQCESA-N	401.365	5.035	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1	819197182	FYYDAENFSLICCH-UHFFFAOYSA-N	420.456	5.221	30	20	HKED	
O=C(Nc1ccc(C(=O)N2CCCSC2=Nc2ccccc2)cc1)c1ccccc1	821781127	FRZXRZZWXCJBME-UHFFFAOYSA-N	415.518	5.206	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	916942151	GTJXVHWENAMSRZ-QGZVFWFLSA-N	407.322	5.132	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Oc3ccccc3)c3ccccc3)n2)cc1	916975019	UZFXZDHWKZIWMG-RCZVLFRGSA-N	424.525	6.115	30	20	HKED	
Cc1nc(S)sc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	918382205	UBMQIUQMGHKCAN-UHFFFAOYSA-N	415.927	5.239	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1	919965575	ALLHVXPOMXXUID-AREMUKBSSA-N	409.533	5.193	30	20	HKED	
CCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	920805460	KKHSNZIRDQAMHS-INIZCTEOSA-N	412.461	5.296	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2Cl)cc1	921163516	PHELMRASOPSXIU-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
Cc1oc(C(C)(C)C)cc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1	1785934681	JNRIFBKIYLXVAU-UHFFFAOYSA-N	421.541	5.183	30	20	HKED	
CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1)c1ccc(Cl)cc1	1786184912	UAMKTEIUCHONGT-QFIPXVFZSA-N	423.944	5.127	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1	1789116324	MDYFLPWKVSWZAZ-BUHFOSPRSA-N	400.478	5.156	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OCC)c3)CCC2)cc1	1791249652	WWWWARUPAYCXHK-SFHVURJKSA-N	406.526	5.045	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(C)c2C)c1	10168130	QWGFPMGSAMVTIW-UHFFFAOYSA-O	415.582	5.439	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccccc2Cl)nnc1[C@H]1COc2ccccc2O1	23592325	OFUFJJWMJSQZHI-AUUYWEPGSA-N	413.930	5.483	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1	29013563	QYLGZAAGMHBUDS-UHFFFAOYSA-N	401.413	5.272	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1	29200842	JEJJOYVZBQWTND-UHFFFAOYSA-N	403.507	5.074	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCCCC2	61047458	ILMHYCGBSAEJKP-UHFFFAOYSA-N	411.527	5.712	30	20	HKED	
C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	64344954	BUVYJVGNYWEKEX-UHFFFAOYSA-N	405.567	5.633	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N2CCCc3cc(F)c(F)cc32)c1	65786736	ZNBOJPWVJGGSRB-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2	65880788	UHEUNBBWOUGFBX-GMYFBSLISA-N	413.496	5.482	30	20	HKED	
CC(C)(C)C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1	111200866	OTDTVVCDCDJPGL-JOCHJYFZSA-N	423.532	5.146	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)c1	237024322	MUZQIMVUELOTMZ-VWLOTQADSA-N	422.532	5.510	30	20	HKED	
N#CCCCOc1cccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)c1	237827831	IJZLFWIRQHTOFV-UHFFFAOYSA-N	410.521	5.057	30	20	HKED	
CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1	255203447	HADOTDDXNKMHOS-GOSISDBHSA-N	415.946	5.019	30	20	HKED	
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1cccc2ncccc12	303287187	AJDHUOYODSENKC-KRWDZBQOSA-N	408.461	5.338	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1cccc(Cl)c1Cl	303358056	GQMLGJOKIPNPRB-ZDUSSCGKSA-N	413.091	5.776	30	20	HKED	
CC[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[C@H]1c1ccccc1	428622361	RMZWZBYEVFSFCN-NFBKMPQASA-N	412.537	5.120	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@H]1c1cccnc1	432771678	YJRLBSOLCVFILC-HSZRJFAPSA-N	412.493	5.669	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccco2)nn1C(C)C	433917554	DZBHOUAVXPHDJX-UHFFFAOYSA-N	405.502	5.286	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)CC2)c1	435362995	LAESFHWJBHMURK-UHFFFAOYSA-N	423.394	5.435	30	20	HKED	
FC(F)Oc1cccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	436416179	YQLAJQMGBFRKSN-HNNXBMFYSA-N	413.308	6.090	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(C2CCCCC2)no1	438077655	LVRYGJTXMSRQJF-CABCVRRESA-N	413.547	5.394	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1)c1ccccc1	438839901	WGPHXQAHLYCJCL-NHCUHLMSSA-N	409.942	5.835	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(-c2cccs2)no1	439643179	FQCORMYJQRYKPS-CYBMUJFWSA-N	406.442	5.774	30	20	HKED	
CCCc1c(NC(=O)c2ccc(Cl)cc2OCC)cnn1-c1cccc(C#N)c1	440089311	QFKKQXIQZAEJKG-UHFFFAOYSA-N	408.889	5.001	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccc(C(F)(F)F)cc1	441563667	JJTJHXDDJPNITQ-MRXNPFEDSA-N	409.452	5.142	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)c2ccccc21	444364244	PVCIKQBRDRTVRR-QFIPXVFZSA-N	415.541	5.064	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1c(F)ccc(Br)c1F	447419333	SQZZYOWGAUBBON-JTQLQIEISA-N	411.271	5.231	30	20	HKED	
COc1cc([C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1	461931230	MNLKFHSOOJVZQG-MOPGFXCFSA-N	414.505	5.127	30	20	HKED	
N#CCCCOc1cccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c1	463013759	UELIEPJIMQMAAB-QFIPXVFZSA-N	418.884	5.189	30	20	HKED	
CSc1cccc([C@H](NC(=O)NCc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1	465523479	UOOISDZKODPCEG-QFIPXVFZSA-N	423.488	5.147	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2cnc3c(cnn3C(C)C)c2)C(C)(C)C)cc1	467885635	GAZSAYVTHURRIN-UHFFFAOYSA-N	406.530	5.018	30	20	HKED	
CCN(C(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(Br)cc1	468911139	JBBBGULQQKYRAG-UHFFFAOYSA-N	410.315	5.374	30	20	HKED	
N#Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1-c1ccccc1	468963323	KLZOUIAPDQALNS-UHFFFAOYSA-N	407.267	5.005	30	20	HKED	
N#CCCCOc1cccc(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1	471629092	XZOSOVKPJPRLIF-UHFFFAOYSA-N	403.269	5.338	30	20	HKED	
O=C(COc1ccccc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474275950	QHNKVCNIQAQRNX-AWEZNQCLSA-N	409.301	5.033	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1Cl	474966829	DSOBKSQZTNJCQV-PKOBYXMFSA-N	423.944	5.381	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ncoc2-c2ccccc2)cc1	478595141	RQSMJUUTOBFKIO-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479191856	QWJNSKFNVQXWQM-AFMYVXGZSA-N	409.555	5.029	30	20	HKED	
C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H]1c1ccccc1	480281894	GTMJQCXNZJBSAE-SBUREZEXSA-N	410.477	5.035	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	480413805	ZOQVJAHVQIUYLD-MRXNPFEDSA-N	412.449	5.114	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(COCCOC(C)C)c1)c1ccc(F)c(F)c1	480808818	AEGMAUBIQYSNEZ-QFIPXVFZSA-N	418.484	5.345	30	20	HKED	
C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1	480885992	QHZXZFCTMOVBTE-OAHLLOKOSA-N	407.876	5.454	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(COc4ccccc4)cc3)no2)cc1	481909415	YVMFIAVJXNGDJV-QFIPXVFZSA-N	406.445	5.037	30	20	HKED	
C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(NC(=O)c2ccccc2)c1	481921660	NPVYFRYMDMGDGD-NIYFSFCBSA-N	409.533	5.929	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	482158288	KHTWUPNGGNOXGP-UHFFFAOYSA-N	421.516	5.625	30	20	HKED	
Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2n1C	483463541	SIKFUYGEQVWMHR-MRXNPFEDSA-N	406.898	5.149	30	20	HKED	
CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	487643119	PKKMZJXKEWOGIM-UHFFFAOYSA-N	414.465	5.053	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(-c2ccccc2F)n1Cc1ccco1	489668980	UEHJBOMOICRYSD-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
CCN(C(=O)CSc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1ccccn1	497885676	UUUCIQLYUCVZQZ-HSZRJFAPSA-N	421.953	5.337	30	20	HKED	
CCN(C(=O)Cc1csc2nc(-c3ccccc3)cn12)[C@H](C)c1ccc(C#N)cc1	500142052	HUFQOGRDHTXZRM-QGZVFWFLSA-N	414.534	5.087	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H]1CCC[C@H](C(F)(F)F)C1	500247093	VCWKCADHAWIHII-MNOVXSKESA-N	401.322	5.464	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F	501177660	FEAHYPWRYJORAC-QGZVFWFLSA-N	422.495	5.202	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN(Cc2cccs2)Cc2cccs2)c1C	501501210	GQQLVCZTKHKGBB-UHFFFAOYSA-N	423.607	5.376	30	20	HKED	
C[C@H](NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(C#N)cc1	505323987	BHUKXVDYUCADOZ-FDDCHVKYSA-N	408.505	5.232	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(C)s2)cc1	505626936	YIDDNPXFWLDXOY-UHFFFAOYSA-N	420.490	5.331	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2occc2COc2cccc(C#N)c2)cc1	505824828	HBYOQQZTGNQXQH-QFIPXVFZSA-N	413.477	5.022	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1Cl	510025995	MXDWQRBACUASSX-JOCHJYFZSA-N	422.960	5.088	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Br	515641655	BZWCJZASTFZIME-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CCOc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1OC	518374445	JOUAZPGHVYADAM-UHFFFAOYSA-N	402.450	5.205	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cc2)c1	518752701	ZTFIYGNKWQGEFD-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)S[C@H](C)c1ccc(Cl)cc1	520116051	FXFUIBPZISJRAV-CVEARBPZSA-N	402.947	5.478	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cc(Cl)ccc2s1	520208692	ZVGVGOFXCKGKIY-UHFFFAOYSA-N	411.958	5.439	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4)nc3)cc2)nc1	520323050	NQQZPTALVBKHNV-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	520713217	HXKCCNJJLYILOB-ZEQRLZLVSA-N	414.480	5.351	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CCC3)cc1	521016156	MJFPIETZHZUYGP-QGZVFWFLSA-N	406.467	5.088	30	20	HKED	
C[C@H](NC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(C#N)cc1	521953289	BAVQPWSGHSAGLS-HJPURHCSSA-N	405.448	5.181	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	522133708	QZYDKNRUJLADDH-UHFFFAOYSA-N	418.472	5.114	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cnccc3Oc3ccccc3)c2)cc1	522314225	UGUOPPCAJGEWMH-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1	524380793	YODUPWMJEDSXRK-OALUTQOASA-N	400.478	5.413	30	20	HKED	
CCCN(C(=O)CSc1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1cccnc1	525149030	VJSCLVRYPUNWKT-XMMPIXPASA-N	419.525	5.213	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1	525532043	WQXNSDGUJRKGIQ-RTBURBONSA-N	414.505	5.221	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(F)cc2)CCCC1	533051871	SOUUIFHFSSHHTG-QGZVFWFLSA-N	411.546	5.218	30	20	HKED	
C[C@@H](CNCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccccc2)no1	534826330	MVKYLIVXENAFQJ-IBGZPJMESA-N	424.504	5.081	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccnc1)Cc1ccco1	537929141	UTIHHXGFHIXRBJ-QGZVFWFLSA-N	406.511	5.303	30	20	HKED	
N#CC1(CCCNc2ccc(Oc3ccc(Br)cc3)cc2)CCOCC1	538611461	MBKQXYIFNUYMRI-UHFFFAOYSA-N	415.331	5.754	30	20	HKED	
N#CC1(CCCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CCOCC1	540769369	YHQMMNCJEPNZEK-UHFFFAOYSA-N	416.550	5.398	30	20	HKED	
C[C@@H]1C[C@H](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1	543293953	WEURGYZHKUAGIQ-CBGDNZLLSA-N	411.933	5.322	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccccc1Cl)c1ccncn1	545446094	VHSKMJQHCUNVFO-HNNXBMFYSA-N	419.893	5.659	30	20	HKED	
Cc1nn(CC(F)F)c(C)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	545490847	UCWPJWCTPZTXKW-AWEZNQCLSA-N	420.872	5.032	30	20	HKED	
Cc1c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cccc1-c1ncco1	557358713	OPSSANSWMMODOV-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	558229671	HSKLTBPZEZTKSR-UHFFFAOYSA-N	423.532	6.019	30	20	HKED	
C=CCOc1cc(OC)ccc1-c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1	558387984	BDLNUAZRJQKJRS-QGZVFWFLSA-N	408.351	5.388	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC(=O)c2ccccc21	559561393	KQASCRFSDMJJLB-HSZRJFAPSA-N	410.473	5.145	30	20	HKED	
C[C@@H](NC(=O)N[C@H](C)c1c(F)cncc1F)c1ccc(-c2cccc(C#N)c2)cc1	561967010	LOTUKTPIXVRTNU-HUUCEWRRSA-N	406.436	5.020	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)o1	562108264	DQHZPSBRVAJSLS-KSFYIVLOSA-N	416.481	5.652	30	20	HKED	
Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)o1	568539601	AUSDJEWBGKJPEA-UHFFFAOYSA-N	420.900	5.030	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc4sccc4c3)cc2)ccn1	579178818	JJXVVCDISQKTBP-UHFFFAOYSA-N	400.463	5.282	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cccn3Cc3ccccc3)c2)cc1	603921167	OWELQWNPIAXTDE-UHFFFAOYSA-N	421.500	5.434	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1	604128083	MXICCSIPMFNXLV-HSZRJFAPSA-N	403.913	5.337	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1OCC	605363649	WOMJSGNYXYSRLG-OAHLLOKOSA-N	411.889	5.202	30	20	HKED	
C[C@@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)N(CCC#N)c1ccccc1	608929470	BGBCWKKLIJRQSQ-QGZVFWFLSA-N	412.559	5.010	30	20	HKED	
C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccccc2)O1	609209113	YIBQRCBXMVBQIA-UUOWRZLLSA-N	413.477	5.344	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCOc1cccc2ccccc12	609399440	XEPIBACZEHXVFG-QGZVFWFLSA-N	405.523	5.292	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C	610053835	YRXGHHOPGJLQHO-MOPGFXCFSA-N	424.426	5.122	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	611548688	FAWLFODIFFAKQN-ZFWWWQNUSA-N	406.379	5.293	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1C1CCCCC1	611567999	FBYIAAPOPSTYBV-UHFFFAOYSA-N	401.470	5.008	30	20	HKED	
Fc1ccc(-c2ccc(CNC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)o2)cc1	642197972	LCWSXWRJGNTMNN-CHWSQXEVSA-N	409.345	6.085	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1cccc(OC)c1	685552078	CLYBETSBXJPJOM-JOCHJYFZSA-N	411.509	5.029	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1nc2ccccc2n1C	725826266	ATEOTAIWKQHKAT-UHFFFAOYSA-N	412.522	5.390	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2c(F)cccc2F)n1	726319007	VYKPBKYYVJGTJV-CYBMUJFWSA-N	421.428	5.083	30	20	HKED	
N#CCCCOc1cccc(/C=C2/N=C(c3ccc(Cl)c(Cl)c3)OC2=O)c1	726749819	JMNRYGUHDJASTD-WOJGMQOQSA-N	401.249	5.020	30	20	HKED	
CC[C@H](/N=C\c1cc(Br)cc(Br)c1O)c1nc(C)cs1	729641085	BNQIKMZYMJMSAB-SQFMLPEHSA-N	418.154	5.252	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)Nc1ccc(SC(F)F)cc1	730954932	OTNHBWGKRNFCOJ-LBPRGKRZSA-N	409.552	6.062	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12	730989089	HFBCOQAHWWCSEV-KRWDZBQOSA-N	424.529	5.801	30	20	HKED	
CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1cccnc1	732961609	GGOQPZMFYGVBQE-WCQSIDKYSA-N	401.897	5.258	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccccc2s1	734326014	SAWYCESBTTUFAQ-MRXNPFEDSA-N	413.502	5.238	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2cccs2)c1	735100325	KKYVDZTXAOXSAG-IFMALSPDSA-N	419.550	5.212	30	20	HKED	
CCCOc1c(Cl)cc(/C=C\C(=O)c2c(Cl)nc3ccccn23)cc1OC	737448869	KEULEZOSFUKZBE-FPLPWBNLSA-N	405.281	5.335	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740058869	DSVFPOFIKSHCKF-UHFFFAOYSA-N	418.547	5.238	30	20	HKED	
CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1cc(Cl)sc1Cl	741810650	WFDRNIBFLYLIFV-UHFFFAOYSA-N	404.326	5.232	30	20	HKED	
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	742537485	KOIUXUGSKWNOBV-RUZDIDTESA-N	423.516	5.177	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2cc(Br)ccc2F)cc1OC	742575888	RPPWCNDEKKFBBK-UHFFFAOYSA-N	416.674	5.200	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccccc1	747988836	HAYZPQYKFBOBEG-PMACEKPBSA-N	401.432	5.597	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)Nc1cccc(OCC#N)c1	748711300	IQYDGPIMZFRDKA-UHFFFAOYSA-N	417.465	5.341	30	20	HKED	
CN(C(=S)Nc1ccccc1C#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	749007754	RFTNXBXQFSMWEI-NRFANRHFSA-N	409.917	5.769	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(SC(F)(F)F)cc1	749361771	TUGWUKCBKNOUGK-UHFFFAOYSA-N	401.413	5.048	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1O	752990250	VJPGPDDIHGTFMH-UHFFFAOYSA-N	418.518	5.592	30	20	HKED	
COc1ccc(C(C)(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	757598629	OKXDKAWNIVKSNN-JOCHJYFZSA-N	414.505	5.276	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1nc(Cl)cs1	758096249	PPSNSYYLQFCCNZ-UHFFFAOYSA-N	421.334	5.079	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2c(Cl)cccc2Cl)cs1	763178428	CPMAKAHCIIFLPW-UHFFFAOYSA-N	419.337	5.889	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1cccs1	764689637	CVIAPULTSUJEGI-CQSZACIVSA-N	411.474	5.037	30	20	HKED	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	766037116	JDCXPJAJBLOBOR-WAIKUNEKSA-N	419.456	5.123	30	20	HKED	
CC(=NNc1c(F)cccc1Cl)c1ccc(CNC(=O)OC(C)(C)C)nc1C	769826266	CXDMXSSJOCRQKA-UHFFFAOYSA-N	406.889	5.043	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NCc1ccc(O[C@@H](C)C#N)cc1	770544474	YYQFXBJMFXSABU-KRWDZBQOSA-N	406.457	5.316	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2cccc(Br)c2)ccc1OC	772987872	YSFHKRIFUQYXCD-RTBURBONSA-N	417.347	5.380	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1cccc(C(F)(F)F)c1	774122848	XNRMBKNPGDKRIY-KTKRTIGZSA-N	402.821	5.049	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	776886575	NAJRIZLQDIWJNJ-UHFFFAOYSA-N	415.880	5.038	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(=O)c1ccc(Cl)cc1	777319102	XPSJXGCIWQWKSY-NHYWBVRUSA-N	400.862	5.174	30	20	HKED	
CC1(C#N)CCN(Cn2nc(-c3ccccc3Cl)n(C3CCCC3)c2=S)CC1	779878517	LGDZRXIRCJFQEE-UHFFFAOYSA-N	415.994	5.433	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ccccc1O[C@@H](C)C#N	780162472	WZAQKVDGCGIXIG-HNNXBMFYSA-N	405.523	5.321	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780521358	FOAFAGWMWPTLLM-KRWDZBQOSA-N	412.449	5.594	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C	780668057	QOCIVIFIDZEKSF-QWHCGFSZSA-N	404.297	5.435	30	20	HKED	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1O[C@@H](C)C#N	780671832	WBRQAQVMBXIPFT-AWEZNQCLSA-N	406.313	5.727	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2nc3ccccc3o2)cc1C	781812712	VUAZFMZTMWEYND-KRWDZBQOSA-N	414.465	5.140	30	20	HKED	
Cc1nn(C)c(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)c1Br	790600864	NXEMEGKZLNQCHI-FPLPWBNLSA-N	419.266	5.042	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(F)(F)F)s1	796794598	WBMAXPGRTXVNJV-QMMMGPOBSA-N	407.200	5.035	30	20	HKED	
O=C(/C=C\c1cnn(Cc2ccccc2Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	796976446	NCKOFJGKFZBRQC-YVMONPNESA-N	402.237	5.043	30	20	HKED	
C[C@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	797613107	DIWKMGUFMDXDBU-AHWVRZQESA-N	413.496	5.677	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cnn(C3CCCC3)c2)cs1	799896019	LUQMHHDDRYGBPB-XFXZXTDPSA-N	420.538	5.344	30	20	HKED	
C#C[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1F	806263656	STUOIEMXNCRPOI-CXAGYDPISA-N	401.894	5.227	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2c(Cl)cc(Cl)cc2N(C)C)ccc1OC	810145147	TYJTZKNISGFCKD-MRXNPFEDSA-N	422.356	5.039	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1	814621378	WHPKOLIAJISSNP-JOCHJYFZSA-N	421.884	5.168	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1NCc1cc(C#N)ccc1Br	864004964	TWAWFVWAHNWGRA-UHFFFAOYSA-N	402.292	5.280	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(-c4ccccc4)cc3)c(=O)c2c1-c1ccccc1	916283493	DGLLMPDTYBFYGO-UHFFFAOYSA-N	421.525	5.983	30	20	HKED	
CCCCc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916886127	FDRXPCDMKSQZCC-LJQANCHMSA-N	416.493	5.234	30	20	HKED	
N#CCOc1ccccc1C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1	919819046	CEHJZTAWVKMPCV-UHFFFAOYSA-N	416.443	5.093	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1nc(-c2c(F)cccc2F)cs1	920806252	JFXNLFBITWCJJP-CQSZACIVSA-N	414.864	5.650	30	20	HKED	
CCCc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(O)n1	1546320111	JBXJOGGXHDJXJS-UHFFFAOYSA-N	421.884	5.096	30	20	HKED	
N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCCC4)cc3)CCC2)c(Cl)c1	1787610318	QCBHWPLAFMMGBW-UHFFFAOYSA-N	421.928	5.150	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccccc34)CCC2)cc1	1791248056	PROGKUCVPPXPKT-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2cccc(C)c2)cc1	22729527	FHQSNLRYMUWJQB-UHFFFAOYSA-O	419.570	5.349	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cc(C)ccc2C)cc1	22729630	SNKJYOGNHUEREC-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)n1	24284341	BYSIXWLIOQCFLY-ZDUSSCGKSA-N	415.440	5.553	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	62903927	NGLVLRKZKZCCRO-UHFFFAOYSA-N	412.333	5.424	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1OCc1cccnc1	63300081	UOWDDALSNDYQHN-UHFFFAOYSA-N	403.913	5.374	30	20	HKED	
COc1cc(/C=C2/CC/C(=C\c3ccc(SC)c(OC)c3)C2=O)ccc1SC	63866708	GAAPJGKGXCJTLU-MJZABRMRSA-N	412.576	5.978	30	20	HKED	
CCN(C(=O)CCSc1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1	65839903	DPXONHUMYRAYHZ-OAHLLOKOSA-N	417.372	5.413	30	20	HKED	
COc1cccc([C@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	195627128	ZJCFZERZBZNPQZ-SFHVURJKSA-N	402.469	5.038	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3nc4ccccc4s3)o2)c1	237024507	GDZFIKVACFQFDA-KRWDZBQOSA-N	403.507	5.527	30	20	HKED	
N#Cc1c(Cl)nsc1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	301950879	HDLOMLOWDUGBSX-UHFFFAOYSA-N	400.838	5.423	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)c2)cc1	303659465	WCLVIZZETUDCAX-UHFFFAOYSA-N	409.445	5.408	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](OCC3CC3)C2)cc1Cl	429171952	PTJGESUUFLIGRG-IRLDBZIGSA-N	423.944	5.418	30	20	HKED	
N#Cc1ccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)o1	429676974	UGVHJFNSVBDJNI-UHFFFAOYSA-N	401.472	5.385	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCc4sccc43)c2)cc1	433840042	WABPNQHNHWARGR-QFIPXVFZSA-N	402.519	5.452	30	20	HKED	
CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	435611604	SQUNNEIXBADVQS-QFIPXVFZSA-N	415.493	5.156	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)c2ccccc2)c1	438036472	OBTBHOXGLNZFLC-BJKOFHAPSA-N	409.489	5.221	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)c1ccccc1	438842679	QGVSPEHRUYVHIQ-PMACEKPBSA-N	418.324	5.121	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1cccc(F)c1	440365346	JAKVZWRIMMYPEC-WBVHZDCISA-N	401.507	5.057	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)c(F)c1	443141903	KKABHFFKTQNALM-CYBMUJFWSA-N	408.951	5.603	30	20	HKED	
C=CCn1c(SCc2nc(C(C)(C)C)cs2)nnc1-c1ccc(OC)cc1	445591205	CSOVOFJLOMXFRQ-UHFFFAOYSA-N	400.573	5.186	30	20	HKED	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	446487056	YVPRPRNJKLGFOV-UHFFFAOYSA-N	418.428	5.148	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C)nc3CC(C)C)n2)cc1	447106128	AMQAVDFALZTDRN-MRXNPFEDSA-N	411.552	5.272	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cccc(C(F)(F)F)c1	460547857	BAUSYFDGYXQZPY-INIZCTEOSA-N	415.463	5.056	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)s2)c(C)c1	464415327	VNSVLJWOLDUPQQ-INIZCTEOSA-N	415.440	5.639	30	20	HKED	
CCN(Cc1c(C)nn(Cc2ccc(OC)cc2)c1C)[C@@H](C)c1ccc(C#N)cc1	468392792	NRRPTTMBGLRAOC-IBGZPJMESA-N	402.542	5.012	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	469013057	OKBIDYRTDAKTRY-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(Cl)c1	471824191	FXEVZIHJJAXRFF-OAHLLOKOSA-N	402.947	6.023	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](COC)Cc1ccccc1	472753454	OPLRZEWRNGCVLO-UYAOXDASSA-N	411.571	5.050	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1	473749863	YCFOQCNGZSRMEY-UHFFFAOYSA-N	401.919	5.263	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1	473762736	PZZGGOPQVALGKP-OAQYLSRUSA-N	404.901	5.447	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1	473784467	GPOSNTYUHZTJJW-UHFFFAOYSA-N	422.941	5.834	30	20	HKED	
Cc1cccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1NC(=O)c1ccccc1F	474445660	MVFSFPCECCHQRZ-KRWDZBQOSA-N	421.497	5.456	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](CC#N)c1ccccc1	475939736	PYDHDCUMZUZDLK-HSZRJFAPSA-N	411.480	5.627	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1	476253567	WFTFJXSEGBYSDC-RPWUZVMVSA-N	418.537	5.127	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N	480541251	OVTZMRATNMJEEV-MDOVXXIYSA-N	417.962	5.489	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	480880281	PIFKYSRHVVVASI-UHFFFAOYSA-N	414.490	5.039	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3cccnc3)cc2F)c1	481592857	DYQBBVGYNKZKSB-JOCHJYFZSA-N	416.456	5.040	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)sc2cccc(F)c12	481856647	OHNPYTYYSRCCKG-UHFFFAOYSA-N	408.376	5.414	30	20	HKED	
COc1ccc(CN(CC(C)C)[C@H]2CCCc3cccnc32)cc1OCCCC#N	482299622	VAXITPPAMIOFCX-QFIPXVFZSA-N	407.558	5.308	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482325561	XKAXABSCHKTEMT-INIZCTEOSA-N	415.337	5.022	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)N[C@H](CCCC#N)c2ccccc2)c1C	487347556	XQUALFSLRWGZRK-OAQYLSRUSA-N	418.566	5.133	30	20	HKED	
CC(C)n1ncc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1-c1ccccc1	489745577	NNVWOQBUMOTNAT-IBGZPJMESA-N	413.308	5.432	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cc2ccccc2n1CC(F)(F)F	490289901	XATFIJLDAONTPD-UHFFFAOYSA-N	420.284	5.336	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc2ccccc2s1	492260749	SYCWISRMGGWIHB-LBPRGKRZSA-N	422.922	5.381	30	20	HKED	
CCN(CC(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496305290	HTKHQVSYOUJJIM-UHFFFAOYSA-N	410.465	5.134	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1OCC(F)F	497541918	DAGUJFBPEYCSNR-UHFFFAOYSA-N	405.832	5.076	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C1CC1	498187041	IEKHXRUKYAUIIG-UHFFFAOYSA-N	420.900	5.911	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	501632948	UIECTODVKGEVQW-HNNXBMFYSA-N	406.482	5.348	30	20	HKED	
COc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(C(F)(F)F)c1	503092005	IKBKPKVCQRLKJQ-UHFFFAOYSA-N	401.388	5.225	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1Cl	503485482	HZSMMHMITHGMDZ-LJQANCHMSA-N	419.868	5.046	30	20	HKED	
C=CCc1cc(-c2nc(-c3cccnc3Oc3ccccc3)no2)cc(OC)c1OC	504878532	DYJYVAGXNKKCEU-UHFFFAOYSA-N	415.449	5.337	30	20	HKED	
C[C@H](SCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1	505540575	PLBODYZWKNYNOZ-ZBEGNZNMSA-N	419.337	5.045	30	20	HKED	
COc1cccc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1F	507720180	WHFASHZFVKMFTO-UHFFFAOYSA-N	420.459	5.007	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1	510874880	QZBXYVGXKZDEBJ-XMMPIXPASA-N	415.468	6.167	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(Cl)cc1	513696033	RDDMBZVAFIGBGC-INIZCTEOSA-N	420.925	5.749	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(Cl)ccc2F)cc1	513946738	OZUZQFIOHDCQCN-UHFFFAOYSA-N	411.839	5.724	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2ccc(-c3nc(C)cs3)cc2)cc(OC)c1OC	513975649	HVNXRWVJMRIIEU-UHFFFAOYSA-N	423.538	5.186	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1OCCC	516769877	VCQQNFSUAZXGCW-SFHVURJKSA-N	421.522	5.273	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl	517518672	RAHXJCVIUWJYBD-NSHDSACASA-N	401.340	5.188	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)c1cccc(Cl)c1	518259032	BRFRQSVZRJHWFT-OAHLLOKOSA-N	401.963	5.834	30	20	HKED	
C[C@@H](NCc1ccc(OCc2ccccc2)c(Br)c1)c1ccc(C#N)cc1	520215989	LTLQOXUTTPRXKS-QGZVFWFLSA-N	421.338	5.751	30	20	HKED	
CCCCOc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC	521016120	JLZMMAAGPKUXGC-KRWDZBQOSA-N	407.297	5.176	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	521886359	TWKAUNZHJFHHHU-KEYYUXOJSA-N	424.125	5.240	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2)nc1	521953660	MEFUGSHRWCRYDA-LJQANCHMSA-N	411.383	5.169	30	20	HKED	
CCN(C)Cc1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	522073405	HWALVVGMARQKOT-UHFFFAOYSA-N	414.509	5.124	30	20	HKED	
C=CC[C@@H](C)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	522656927	UBBJZQMGJPLCQO-CQSZACIVSA-N	405.420	5.352	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F	525032005	HUMIQJWQNISTAA-UNMCSNQZSA-N	418.443	5.466	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OCC)n2)nnc1-c1ccc(Cl)cc1	525111055	FZHJOKUYTDJLJU-ZDUSSCGKSA-N	420.991	5.631	30	20	HKED	
C[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1C(F)(F)F	525946279	QZTAADXKYYCLLC-MRXNPFEDSA-N	416.443	5.141	30	20	HKED	
CC(C)OC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	531422500	PELSKLVUPQWZAR-UHFFFAOYSA-N	413.905	5.425	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1ccccc1	533963304	MEUSMHYTTUJILN-SFHVURJKSA-N	421.518	5.181	30	20	HKED	
C=C[C@H](CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1C)c1ccccc1	534637998	FRJACXMLQJQQRM-LJQANCHMSA-N	400.526	5.278	30	20	HKED	
Cc1cc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)nn1CCC#N	535053248	CWBZYMIKWJPAEQ-UHFFFAOYSA-N	412.824	5.244	30	20	HKED	
C=CCCOCCCCC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	537190862	DMUXZYNUAWIRIG-GOSISDBHSA-N	402.535	5.206	30	20	HKED	
CC(C)(C)c1cc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c(C#N)s1	540272484	LVUSRYNHHXXUAT-UHFFFAOYSA-N	415.603	5.111	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1	540731461	KDSCMQFAWDSLOL-UHFFFAOYSA-N	407.473	5.139	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1	541424077	YLTUQAVCNTZETK-PKOBYXMFSA-N	422.598	5.526	30	20	HKED	
C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542020060	WERABWUBVAPKJJ-QGZVFWFLSA-N	424.460	5.639	30	20	HKED	
N#CCCn1ccc(NC(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)n1	544251470	WGLFNGSGMIIFRS-IBGZPJMESA-N	414.296	5.015	30	20	HKED	
C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	544615885	PHWXLSHYEGQDFC-HRAATJIYSA-N	416.456	5.500	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	546084308	FPWUEAXWGHJZPG-CABCVRRESA-N	400.931	5.582	30	20	HKED	
C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	550708094	VNNTVCBIALKWBD-QGZVFWFLSA-N	408.461	5.111	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1F	551248237	OMISLDCDILSBJP-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
Cc1sc(C2(N[C@@H](C)c3ccc(C#N)cc3F)CCC2)nc1-c1ccccc1F	551313476	MXLIMNNINUYTGX-AWEZNQCLSA-N	409.505	5.998	30	20	HKED	
Cc1oc(C#N)cc1-c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1	558351960	MQCOWEWSCMWDLO-UHFFFAOYSA-N	412.327	5.383	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2nnc(-c3ccccc3)o2)no1	561926969	NDFXUXMWCDZUDN-UHFFFAOYSA-N	414.343	5.037	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1Oc1cccc(F)c1	567500583	WBKQESDMGYRIET-UHFFFAOYSA-N	410.445	5.314	30	20	HKED	
N#Cc1ccc(CNCc2cccc(NC(=O)c3ccccc3)c2)c(C(F)(F)F)c1	579177589	FFLAFJHYGNFKBY-UHFFFAOYSA-N	409.411	5.119	30	20	HKED	
COc1ccc(-c2ocnc2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	588886725	RWKPSBAZTNBOKP-UHFFFAOYSA-N	407.495	5.195	30	20	HKED	
C[C@H](Sc1ccccc1Cl)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	603961871	LOCAOIBJPMZJEW-ZDUSSCGKSA-N	412.864	5.283	30	20	HKED	
C=CC[C@H](C)NC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	606930251	ZGKQAPKTASAOMT-WCQYABFASA-N	408.365	5.206	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4ccccc4F)on3)cc2)c1	609064186	XNKBEXQATDWAIS-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)cn2)c1	609139225	GMGXMDIHNVJFIJ-DEOSSOPVSA-N	421.460	5.052	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1csc(-c2c(F)cccc2F)n1	609378749	LOWYPHHPPOSJQQ-UHFFFAOYSA-N	401.463	5.346	30	20	HKED	
C[C@@H](NC(=O)CNc1ccccc1SCCC#N)c1ccc(Cl)cc1Cl	609385834	OIJVIBQJELSYRH-CYBMUJFWSA-N	408.354	5.288	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CCC2	609555707	BSPLRSDLBRBNLV-OAQYLSRUSA-N	418.522	5.657	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCS[C@@H](c4ccccc4)C3)c2)cc1	609789850	FUUDJLCXVXBZBM-XMMPIXPASA-N	414.530	5.068	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1	610009215	WSUDEDNLYRJZPK-BEFAXECRSA-N	402.560	5.900	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2CCSc3ccccc32)sc2c1-c1ccccc1CC2	610224962	PIZBDGJLBZPKJH-KRWDZBQOSA-N	402.544	5.603	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCc2ccc(C#N)cc2F)cc1	610402363	JLDCCXKEFNKRGO-KRWDZBQOSA-N	417.484	5.276	30	20	HKED	
COCCN(CCC#N)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	611202226	UMMKSQWFNOQXGN-UHFFFAOYSA-N	424.888	5.074	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1	611355893	LMYLYTMKLWUYPC-FGZHOGPDSA-N	420.578	5.129	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1	613292713	QSGOKHQQOSYULS-CQSZACIVSA-N	422.271	5.995	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc([N+](=O)[O-])c1	617724530	MCDDUOHPAZJZDR-GFCCVEGCSA-N	423.416	5.362	30	20	HKED	
O=C(CCSc1ccc(F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642158470	VXDIQXRVSFEICZ-GHMZBOCLSA-N	417.390	5.334	30	20	HKED	
C=C[C@](C)(CC)C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	682379847	FXAQDUDWUJMOMP-WIOPSUGQSA-N	411.590	5.304	30	20	HKED	
Cc1cc(C(=O)CCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(C)s1	685809172	SKGCLHOZHWORHD-UHFFFAOYSA-N	405.479	5.026	30	20	HKED	
COc1ccc(C(=O)/C=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1NC(C)=O	726740330	BZZZFYAHDPMAGN-HYXAFXHYSA-N	418.276	5.175	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1	726941909	LOPIATHMGFHSIX-DEOSSOPVSA-N	410.473	5.010	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1	727981171	DWTPWWZHCBLZNT-INIZCTEOSA-N	421.953	6.469	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1Cl	729319922	RSXYKQJXCJFMDB-KRWDZBQOSA-N	421.287	5.549	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1cccc(OCC#N)c1	729557106	WXTCZFBRKOSJHE-AWEZNQCLSA-N	410.474	5.043	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1	730420204	BELTUOPGLQYNEM-YVARQFDVSA-N	415.287	5.396	30	20	HKED	
COc1cc(C(=O)/C=C\c2cnc(-c3ccc(C)cc3)s2)ccc1OC(F)F	734306045	KFFYZFQYFZNFGR-HJWRWDBZSA-N	401.434	5.625	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)CCc1nc2cc(Cl)ccc2s1	735350358	QISLUXADTSLZCC-UHFFFAOYSA-N	421.305	5.181	30	20	HKED	
N#C[C@@H](C(=O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2)c1nc2ccccc2o1	735770554	SIBYMCXMXQEEMY-QPBWXXGLSA-N	404.897	5.707	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1	741059762	WLHPKFPHUBWKOY-NNMXDRDESA-N	419.887	5.812	30	20	HKED	
O=C(/C=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)c1c(Cl)nc2sccn12	743055683	ITCZWRIJTRZCFA-LYKUJDHUSA-N	423.321	5.157	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)n1	747196225	JTRXSVZBGOGECU-LLVKDONJSA-N	407.973	5.524	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2CSCCS2)cc1Cl	751613041	WCIPSUFMXHTARI-SJLPKXTDSA-N	402.972	5.173	30	20	HKED	
Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1=S	751934536	RNECXXDYKQECCM-VQTJNVASSA-N	423.973	5.001	30	20	HKED	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	752231425	YIRRSRPPARTDTP-YWZLYKJASA-N	407.495	5.046	30	20	HKED	
COc1cccc([C@H](C)CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	753400455	NQMIQBSJJPCASU-WBMJQRKESA-N	418.440	5.694	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC1CCC(C#N)CC1	755974759	LSNKLOLHGLDSJY-QQFBHYJXSA-N	418.946	5.490	30	20	HKED	
C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CN1Cc1ccccc1	757772327	JCLCMLLARDKKRE-VANUSSGQSA-N	424.548	5.127	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)c1	758646121	FKNCVDNQTIFXBW-DENIHFKCSA-N	420.557	5.377	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCC(O)(c2ccccc2)CC1	760932522	XNFYFOCJSZHDMS-IMHYJWESSA-N	409.555	5.033	30	20	HKED	
CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H](c1ccncc1)c1ccc(Cl)cc1	761662538	QYZLLOGAJRANCX-OAQYLSRUSA-N	424.863	5.030	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	762907864	IVZGWLSMEOEKBG-KRWDZBQOSA-N	417.123	5.340	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccco2)c1	769771682	RSETZLCMSBGZEW-BENRWUELSA-N	400.434	5.046	30	20	HKED	
Cc1cc2occ(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2cc1C	770491823	QZGGWMGBCQHGEN-MRXNPFEDSA-N	422.506	5.239	30	20	HKED	
Cc1c(NCc2cccc(OCc3ccccc3C#N)c2)cccc1N1CCOC1=O	770601243	FWSQDSQUGGFSFK-UHFFFAOYSA-N	413.477	5.014	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)nc1)c1nc(-c2c(F)cccc2F)cs1	772654414	ZEMTXLPNFVVJDU-TXNVCOODSA-N	401.825	5.026	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)n1	773958863	UYERUKWSCQUGCS-IBGZPJMESA-N	419.550	5.101	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)n1	777325807	SQCHAOVCTOPIND-ZACQAIPSSA-N	419.591	5.306	30	20	HKED	
CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)Cc1ccsc1	779397221	RXUXSQOQCPNRBO-WZONZLPQSA-N	403.551	5.889	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782779479	ZSLFLIDKTDUWPK-OALUTQOASA-N	411.505	5.594	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	783937775	GXWBHTGRAPDCHL-MRXNPFEDSA-N	404.436	5.155	30	20	HKED	
C#CC[C@@H](NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1	787297417	WIYVUAXNUKXVFV-AREMUKBSSA-N	424.544	5.111	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)[C@H](C#N)c1cnc2ccccc2n1)c1ccccc1	792115154	SPNHSXREFXPOMZ-IBVKSMDESA-N	407.473	5.189	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1	792925429	RPMJRUPXONLVFR-APSNUPSMSA-N	403.453	5.003	30	20	HKED	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1	795640554	ACQJSPPUXHLFKG-QGZVFWFLSA-N	416.497	5.018	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	796809727	BXBWILUTFUANHI-CQSZACIVSA-N	400.381	5.480	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccccc1O[C@@H](C)C#N	797479232	YDIMEFMHXGKOCN-NSHDSACASA-N	416.264	5.500	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccccc1O[C@H](C)C#N	798214531	HSMRXAMEWMBAED-LLVKDONJSA-N	416.264	5.500	30	20	HKED	
COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OC[C@H]1CC[C@@H](C#N)CC1	809085996	UYQZUUQUDWUWLN-OKILXGFUSA-N	422.909	5.182	30	20	HKED	
Cc1c(-c2nc([C@H](NC(=O)OC(C)(C)C)C(C)C)no2)sc2ccc(C#N)cc12	813889367	AHCSCRMESZVUDJ-MRXNPFEDSA-N	412.515	5.353	30	20	HKED	
COc1cccc2c1[C@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CC2	815911367	ZPYIRGFSFAFCNG-IAGOWNOFSA-N	408.910	5.378	30	20	HKED	
Oc1ccc2ccccc2c1C=Nc1ccc(-c2csc(N3CCOCC3)n2)cc1	839388140	UFVXICRRLBLKBY-UHFFFAOYSA-N	415.518	5.256	30	20	HKED	
CN(C)c1ccc(C#N)cc1CNc1ccccc1SC[C@@H]1CC1(Cl)Cl	864025491	JCMXRTMWURCKSE-INIZCTEOSA-N	406.382	5.522	30	20	HKED	
COc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1OC(F)F	915180973	UOICYHMUBGMTEZ-LJQANCHMSA-N	408.404	5.204	30	20	HKED	
C(=NNc1ncnc2sccc12)c1cn(Cc2ccccc2)nc1-c1ccccc1	916368327	MATBSIVRHRCZNA-UHFFFAOYSA-N	410.506	5.049	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)c1	916899116	OCABWFPJXFPGED-DOMZBBRYSA-N	407.322	5.130	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2cc(Cl)ccc2o1	916903946	YFISHWMZKINMDS-ZDUSSCGKSA-N	417.248	5.018	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCC1)c1nc2cc(Cl)ccc2s1	917047243	URLLOCXIQFLZTO-OAHLLOKOSA-N	401.318	5.901	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2Cl)cc1	917877238	YQEFJTCJJJAEJV-UHFFFAOYSA-N	416.820	5.363	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1	1787888490	RSZGCLYFTVRRTJ-UHFFFAOYSA-N	421.884	5.138	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CCC1	1791532425	LNJPPZYEWGUKBW-RPWUZVMVSA-N	414.549	5.118	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)[C@@H](C)CC	1795568710	TZTKXEHXFZMXET-WLXSAPIGSA-N	422.613	5.223	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1	1823911117	VNPDQRIRRDWFGH-GCJKJVERSA-N	416.993	5.094	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(F)cc1	7744063	BIUWQMPJRRGFBF-XYOKQWHBSA-N	419.452	5.268	30	20	HKED	
N#Cc1ccsc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1	7796774	CKODWIPFTGDYJW-UHFFFAOYSA-N	404.516	6.052	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(C)cc2C)cc1	10168451	AUXNBYHOEXWFAJ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(C)cc2)cc1	10173136	LDUZYJAAMLURMR-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2C)cc1	11168896	GMCYADMXZYGNGA-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
Cc1sc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(C#N)c1C	25801357	YMZYDAWESHVVPS-UHFFFAOYSA-N	405.483	5.075	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)oc2c1C(=O)CCC2	44552074	RSUGTGSJYNAQCB-GOSISDBHSA-N	418.880	5.668	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1	63962144	YMZDJHYNLUVMBH-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1	71944231	ZAKKVGMHYCTBSR-HSZRJFAPSA-N	412.493	5.329	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(-n2cccn2)c1	237457084	HKUHOAGVHVDVJO-HXUWFJFHSA-N	408.505	5.174	30	20	HKED	
N#Cc1cc(N2CCC(c3nc4ccccc4s3)CC2)nc2ccc([N+](=O)[O-])cc12	301331263	DQOSMHNWRCRFTF-UHFFFAOYSA-N	415.478	5.008	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2)n1	303750661	BRNHQHTYPYNLID-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
CCN(CCCC1(C#N)CCOCC1)[C@H]1CCSc2ccc(Br)cc21	410351376	XCTZCJHQEVFJDC-SFHVURJKSA-N	423.420	5.408	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1	429068116	BWVFDBCUMTXHFI-NRFANRHFSA-N	403.482	5.039	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)s1	430602373	GZVAQFVIJLQJCX-KRWDZBQOSA-N	419.481	5.734	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1	431915664	DVEIVZGTNAIINX-HXUWFJFHSA-N	415.459	5.471	30	20	HKED	
COc1ccc2oc([C@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)c(C)c2c1	431927330	QUXFTVGAWHRVEW-UWJYYQICSA-N	405.498	5.545	30	20	HKED	
N#CCCC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1	433020353	RSCVBPYXGOGMSS-AREMUKBSSA-N	406.533	6.064	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1	433393133	BGSYRXFIBUJTNV-UHFFFAOYSA-N	405.542	5.008	30	20	HKED	
C=CCn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1C1CC1	434644311	UPMPOUYSUIGYOY-UHFFFAOYSA-N	400.551	5.334	30	20	HKED	
CN(C)CCc1ccccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	438558127	HGBTXPTUFVWMNT-UHFFFAOYSA-N	415.562	5.207	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cc(Cl)ccc1N1CCSCC1)c1ccccc1	439378553	ZDRSXEGVCAYLPD-GOSISDBHSA-N	414.962	5.060	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cnn1-c1cccc(C#N)c1	439675976	VRHDQGBVFKCYPH-QFIPXVFZSA-N	417.488	5.205	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc(-c2ccccc2)cs1	442670567	JDUPBHALWDFYPY-NRFANRHFSA-N	411.486	5.274	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444017451	DZEMSVVXXCFESO-INIZCTEOSA-N	422.344	5.680	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c2ccccc21	444029001	HGKURSJCBXCVJL-UHFFFAOYSA-N	418.497	5.384	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2-c2ccccc2Cl)c(F)c1	448402313	QGBFAPCXHQLLIS-UHFFFAOYSA-N	403.215	6.063	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)C1(C#N)CCCCC1	460247632	VDYFKESOTGNQFH-UHFFFAOYSA-N	418.516	6.144	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3CC(F)(F)F)o2)cc1	460469539	IBUXTCOPTWJAOH-UHFFFAOYSA-N	400.356	5.087	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cc2)c1	463740173	ZNZXPLLDMGAJIG-UHFFFAOYSA-N	411.461	5.135	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1cc(C(F)(F)F)ccn1	464398811	BOHCRUOXOYZJJD-HXUWFJFHSA-N	417.390	5.806	30	20	HKED	
COCCCC[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1	472458247	XECGTQLHUHEYFR-HJOGWXRNSA-N	405.542	5.026	30	20	HKED	
Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	475493206	NOQWFJQHXHJUED-UHFFFAOYSA-N	421.884	5.292	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1	480970303	YEUNUYOKBKQCRJ-ZDUSSCGKSA-N	408.433	5.072	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(-c2nc(C)co2)ccc1C	480987330	GWVFLHAHOVFHCF-UHFFFAOYSA-N	401.919	5.893	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)cc1	487457407	YYJUMJQVCFTVLL-RUZDIDTESA-N	412.489	5.846	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COC2CCOCC2)c1	487760010	ZPYSRWHAGJCMLF-QGZVFWFLSA-N	410.539	5.029	30	20	HKED	
C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(-c2ccncc2)cs1	488188179	VTLZLKBDNNMVFG-INIZCTEOSA-N	410.502	5.235	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1cccc(NC(=O)C2CCCC2)c1	488225892	ZHKUYVNRRWBYCC-UHFFFAOYSA-N	406.436	5.125	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C)c1ccccc1	488716894	SPXLPQFJSTURLK-IBGZPJMESA-N	409.580	5.995	30	20	HKED	
Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(F)cc1Br	490057761	RLUKTOZYBAIGAV-UHFFFAOYSA-N	414.278	5.407	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSCc2ccccc2)cc1	495426164	AICGIVGRAAQVRL-UHFFFAOYSA-N	412.514	5.668	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1	499408495	PXVFAMCWNGIXSF-NRFANRHFSA-N	421.294	5.023	30	20	HKED	
N#CC1(CCCN(Cc2cccs2)c2ccc(Br)cc2)CCOCC1	499521694	XJEYPIFVLITABP-UHFFFAOYSA-N	419.388	5.618	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4ccc(Cl)s4)on3)n2)c1	501131128	PJZQATPBVBDTDF-UHFFFAOYSA-N	412.883	5.304	30	20	HKED	
N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c1	502659962	GQBMPQRQFMJRFO-UHFFFAOYSA-N	424.504	5.108	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ncccc2-c2ccccc2)c1	504594984	ZAEZRLFRWRRVIB-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)o2)cc1	505348128	FPGHLLQRQUTUDW-QGZVFWFLSA-N	414.292	5.271	30	20	HKED	
Cc1nnc(-c2ccccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1	505439251	FYOHCVLTVOYFDU-QGZVFWFLSA-N	420.881	5.312	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H](C)c3ccc(C#N)cc3)s2)cc1	506182888	NDLHHSIRRSUJEP-GDBMZVCRSA-N	420.538	5.120	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	509851845	IIMWIKIDZLDYQJ-UHFFFAOYSA-N	403.404	5.164	30	20	HKED	
COCCN(Cc1ccco1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510044980	NERDJXRLWQFPSB-NRFANRHFSA-N	423.900	5.269	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(C#N)cc1	510432357	ZPEWBXIVKHPBSE-UHFFFAOYSA-N	423.472	5.152	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1	513495946	XJNQJVGZASTEIO-AMGIVPHBSA-N	412.533	5.395	30	20	HKED	
O=C(Nc1cc(F)cc(F)c1Br)c1cc(F)c(C(F)(F)F)cc1F	514246363	KMTAGZZZZBTMBR-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
CCOc1ccc(N(CC)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1	514501889	FXJFKFOJGSZPIO-UHFFFAOYSA-N	400.478	5.203	30	20	HKED	
CC(C)(c1ccc(Br)cc1)c1noc(C[C@H](CC#N)c2ccccc2)n1	515538357	WOOXWJVNWBRNAF-INIZCTEOSA-N	410.315	5.398	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(-n2nc(C)c(CC)c2C)c1	516883764	KLINFFALMFSOAO-UHFFFAOYSA-N	419.573	5.047	30	20	HKED	
CC(C)c1nc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2s1	517112331	OHQUBAWMNQRDBZ-UHFFFAOYSA-N	420.538	5.367	30	20	HKED	
C=C(C)COc1cc(CNC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OC	517540840	LETCBWPPBDOXPO-UHFFFAOYSA-N	414.977	5.058	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	518166344	WVARDIVDYBEYOD-HSZRJFAPSA-N	418.566	5.210	30	20	HKED	
C[C@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc(C#N)cc1	518277381	HXLSPIXSGBEQMA-YVEFUNNKSA-N	402.338	5.281	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCCOc1cccc(C#N)c1	518903590	JSBXLAVBBHXPSN-INIZCTEOSA-N	404.432	5.346	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1	518907004	HFRJAJGGOGUDJG-UHFFFAOYSA-N	412.474	5.316	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1OC(F)F	519449134	WIWWKWCXOQZEPP-KGLIPLIRSA-N	405.470	5.422	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OC(F)(F)F)cc1	519450833	KSMHWFVDBCJJNG-ZDUSSCGKSA-N	409.433	5.159	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	520711917	DYTGSENXTOLASS-FUHWJXTLSA-N	420.862	6.114	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Br	520832702	PADVCVGYWCBTCJ-UONOGXRCSA-N	418.360	5.140	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1	523784684	CPLZEDCXXYPKIM-AZUAARDMSA-N	408.571	5.214	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccco2)c2ccccc2C#N)c1	525557979	NFKFOMLBBCXDGP-UHFFFAOYSA-N	421.884	5.246	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1	531309136	MOGSMRSCUXFMEG-UHFFFAOYSA-N	424.298	5.164	30	20	HKED	
N#CCC[C@H](NC(=O)CCSc1ccc(Br)cc1)c1ccccc1	532691529	NMCUGANAJQCRMY-SFHVURJKSA-N	403.345	5.093	30	20	HKED	
CC(=O)N(c1nc(CN(C)Cc2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1C	535227957	XHNIPRKIBJMNDJ-UHFFFAOYSA-N	418.566	5.257	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1	539499951	NQKDBPGWOQNJBO-MSOLQXFVSA-N	401.485	5.290	30	20	HKED	
C=CCN(C(=O)c1cnc(C)nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	540692749	VCXPDMZYNWOXGD-UHFFFAOYSA-N	419.337	5.357	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1	546791930	UOMAJUIJYKUTTP-GOSISDBHSA-N	403.309	5.426	30	20	HKED	
N#CCCC[C@@H](N[C@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccccc1	550826793	HIQTZESXXIGZTM-RTWAWAEBSA-N	405.542	6.351	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	554502388	PZYPFVKHNKCYDF-SFHVURJKSA-N	422.834	5.223	30	20	HKED	
COc1ccc(-c2nc(Cn3cc(C#N)c(=O)c4cc(C)cc(Cl)c43)cs2)cc1	554871840	YQSBKRQUSHSPEC-UHFFFAOYSA-N	421.909	5.015	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1OC	558342934	YDWUWYAZYVZHAI-ZBFHGGJFSA-N	413.543	5.147	30	20	HKED	
N#CCCCn1cc(C(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)c2ccccc21	561180044	JTXHUCZNRVLIBL-GOTSBHOMSA-N	411.549	5.571	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cn1	562140027	ORITWUCAXPHLOJ-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CC4(CCC4)[C@H]3C3CC3)cc2Cl)c1	575097682	IZMTUBWKKCYTDP-JOCHJYFZSA-N	421.928	5.587	30	20	HKED	
CC1(C#N)CCN(c2nnc(-c3ccc4ccccc4c3)n2Cc2cccs2)CC1	579450516	PONUKMHLYUHEGR-UHFFFAOYSA-N	413.550	5.338	30	20	HKED	
O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)Nc1cc(F)c(OC(F)F)cc1F	580944939	PCQGDJNPORNZHP-LLVKDONJSA-N	424.316	5.109	30	20	HKED	
O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc(F)cc1C(F)(F)F	584133805	MACNITAAFXUAAC-UHFFFAOYSA-N	401.228	5.072	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nc2ccccc2[nH]1	592975433	DUBJNHQRNSHIJL-AWEZNQCLSA-N	409.417	5.383	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2)cc1	599973908	NFSDETCLHGPCBI-UHFFFAOYSA-N	424.500	5.280	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	603690176	YARNQLHMIHIHFQ-QFIPXVFZSA-N	414.465	5.123	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC2CCCC2)cc1	603739148	VULCQXASAXWZIA-UHFFFAOYSA-N	413.477	5.628	30	20	HKED	
CSc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1	603818507	PAGKJFDECXTFTD-UHFFFAOYSA-N	421.547	5.155	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1	608809637	LDVWGCUXXXBOLE-VXKWHMMOSA-N	417.306	5.274	30	20	HKED	
Cc1cc(Br)cc(C)c1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C	608920633	VSOPWHQTCWVWEV-UHFFFAOYSA-N	414.347	5.058	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1c[nH]c2ccccc12	609062031	SFLCVCZEMDRHTP-UHFFFAOYSA-N	409.489	5.498	30	20	HKED	
CC(C)(C)c1nc2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc2o1	609071044	WHMIVWKQJBWSKC-UHFFFAOYSA-N	415.449	5.421	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCC#N)CC(C)(C)C	609191484	HFABZXFSOFMYIE-UHFFFAOYSA-N	409.477	5.539	30	20	HKED	
CCC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccn1	609206412	JGHRPESPEYQWJQ-DEOSSOPVSA-N	414.509	5.390	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1	609428711	WGYRZIBWIKIFMK-SFHVURJKSA-N	402.519	5.912	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)n1	609646280	CBZVUEDOYBIJRF-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	609813570	LRFKZTZSSVAWSO-MRXNPFEDSA-N	423.973	5.241	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4ccccc4F)CC3)c2)cc1	609864078	FNLWASQOXVZUFZ-UHFFFAOYSA-N	414.480	5.296	30	20	HKED	
N#Cc1c[nH]c2ccc(Cl)cc2c1=NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	610246216	QSBQKJFSUFQSFZ-QWRGUYRKSA-N	421.772	5.503	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1	610321026	DCQSIXJZYPVPNL-OAHLLOKOSA-N	421.526	5.298	30	20	HKED	
COc1ccc(-c2cc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)on2)cc1	611807090	BOZMLNHGPDERBD-GOSISDBHSA-N	409.489	5.740	30	20	HKED	
Cc1ccc2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2c1	613319570	HSVMWRCGVLIILM-IBGZPJMESA-N	417.921	6.119	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCC1	642158961	ZBLSKFRYNFTJFQ-CHWSQXEVSA-N	411.361	5.273	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1cc(C(F)(F)F)ccn1	643778776	NKVJMPIEBZTPIP-GFCCVEGCSA-N	407.804	5.367	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)ccc1OCC#N	727655018	RLVGRICZQGNGMW-POHAHGRESA-N	404.491	5.234	30	20	HKED	
C#Cc1cccc(N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)C(C)C)c1	728246658	DDXZALGWWJNIGL-UHFFFAOYSA-N	414.553	5.409	30	20	HKED	
Cc1nc2cc(N=Cc3cc(Br)cc(Br)c3O)ccc2o1	730546131	BADHXWFEZKACNG-UHFFFAOYSA-N	410.065	5.117	30	20	HKED	
N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2ccccc2s1	730917730	QFLQNGNEIFWZMA-GOSISDBHSA-N	414.486	5.131	30	20	HKED	
CN(CCc1ccccc1F)C(=O)c1ccccc1SCc1ccc(C#N)cc1	731655469	NSWDOOJRRXYLDX-UHFFFAOYSA-N	404.510	5.304	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Cl)nc(N(C)C)c1	733100019	XABUXRMUAWWDMV-UHFFFAOYSA-N	406.873	5.026	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740059607	KZNGUVLZVYHAAP-AWEZNQCLSA-N	411.477	5.468	30	20	HKED	
COc1cc(Br)c(/C=C/C(=O)c2cc(Cl)sc2Cl)cc1O	744869259	SWRGGFBKCDIPBH-NSCUHMNNSA-N	408.100	5.428	30	20	HKED	
N#Cc1ccc(COC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c(F)c1	747258928	NZRKTMQLWYQYKF-UHFFFAOYSA-N	421.280	5.414	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H]1CCCc2nc(C)ncc21)c1ccc(C(F)(F)F)cc1	749868954	CYLQXZMBTQEHOT-UYAOXDASSA-N	418.463	5.188	30	20	HKED	
CN(C)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	754868899	GOQGXAANRDNHCA-UHFFFAOYSA-N	419.525	5.304	30	20	HKED	
CC[C@@H](C)c1ccc(-c2cc(C(=O)NC3(C#N)CCOCC3)c3ccccc3n2)cc1	757965334	GLBPNKZICNVEHP-GOSISDBHSA-N	413.521	5.218	30	20	HKED	
O=C(/C=C\c1nccn1Cc1ccccc1)c1ccc(Br)cc1Cl	765614689	YZVFBGHBFWQDPO-HJWRWDBZSA-N	401.691	5.243	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cccc(F)c1)c1nc(-c2c(F)cccc2F)cs1	767444466	LJWGXNNYDBFJRI-AWEZNQCLSA-N	414.408	5.067	30	20	HKED	
Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	767762048	IXRQVJQBBCLHOV-TZIWHRDSSA-N	422.598	5.522	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccncc1	768365376	VRHMPUGWPZJKTK-RBUKOAKNSA-N	422.529	5.338	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)nc1)c1nc(-c2c(F)cccc2F)cs1	772654412	ZEMTXLPNFVVJDU-FVOPLDGLSA-N	401.825	5.026	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc2nc(Cl)sc2c1	772865105	SVMRBPOEELLRIJ-NSHDSACASA-N	423.972	5.002	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c12	780158338	LZYLYRVHUXCGQY-HNNXBMFYSA-N	419.529	5.161	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)c(C(F)(F)F)c1	780670568	MJDSHKRBUCKQMU-CQSZACIVSA-N	421.419	5.105	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl	781034231	JCZQPSQKMDGEMO-JTQLQIEISA-N	418.678	5.127	30	20	HKED	
Fc1ccc(-c2ccc(C=Nn3c(S)nnc3CSc3ccccc3)o2)cc1	782245872	RJBZLHARVPNXTL-UHFFFAOYSA-N	410.499	5.140	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC3CCC(C(F)(F)F)CC3)n2)cc1	783360790	HNXAGQKOWQYGFL-IMRCBTMISA-N	417.456	5.617	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1	789450584	FEKKOHGKTNMKFV-SFHVURJKSA-N	401.551	5.012	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cn2)c1	790803657	SVWPIFDTHAFFIF-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nccc2ccccc12	792094792	GVCUSPONMXDQCO-INIZCTEOSA-N	414.814	5.815	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2nc(Cl)c(C#N)s2)C3)cc1	804444144	VTFGINIHJAPYLQ-UHFFFAOYSA-N	423.929	5.183	30	20	HKED	
Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	806265130	KRVDGRPMNDTLEZ-FDDCHVKYSA-N	423.582	5.367	30	20	HKED	
Cc1ccc(N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(Br)c1	813309844	YIPMTOSQQJOZHS-UHFFFAOYSA-N	422.282	5.093	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(-c2nc(Cn3cnc4ccccc43)no2)cc1	904737480	YCILOGMEPNWOEE-UHFFFAOYSA-N	407.433	5.107	30	20	HKED	
CCCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OCC	915085402	BGAYGZAHHLVEHF-QHCPKHFHSA-N	414.505	5.782	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1OC	915086445	JRDGMOSUSSHKSV-HSZRJFAPSA-N	412.489	5.340	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2occc2CSc2ccccc2)cc1	915086469	JXGOYYPYWQBTCO-XMMPIXPASA-N	424.525	6.480	30	20	HKED	
CCCOc1c(Cl)cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1OCC	916137905	NNLGXFQJLIGMKT-MDZDMXLPSA-N	401.890	5.382	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccccc2)cc1	916900087	MIWQXDWEWBBHLR-HSZRJFAPSA-N	412.489	5.565	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1ccc(Cl)cc1	916900502	PPRYEOPLMIYUHF-AUUYWEPGSA-N	414.958	5.293	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)-c1ccccc1C2	916928654	QKRBZRJHJCMRGF-IBGZPJMESA-N	421.283	5.526	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1	917047499	YRONGNGLAFSCDC-XMSQKQJNSA-N	418.905	5.946	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(Cl)cc4)CC3)n2)cc1	920143470	QAURBVAPJLGPBH-SFHVURJKSA-N	408.910	5.380	30	20	HKED	
CC[C@H](C)[C@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1ccccc1	1787886164	IRUIAFIKTDLRQE-CYFREDJKSA-N	417.553	5.254	30	20	HKED	
COc1ccc(NC(=O)[C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Cl	30449732	SSIGQPHJFCGHKD-MWTRTKDXSA-N	419.912	5.251	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cccc(Cl)c2)cc1	32498996	SUNJNZGODBJTPV-UHFFFAOYSA-N	406.938	5.476	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1C(=O)c1cccs1	32963648	ISPATVDBGNUHFM-UHFFFAOYSA-N	408.482	5.026	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1	41515661	GNUDJKXTJRURFX-OAHLLOKOSA-N	416.428	5.024	30	20	HKED	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cc(C#N)ccc2C)cc1	63960737	CLZPBPSHQUWSJF-UHFFFAOYSA-N	415.518	5.158	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2cccc(Br)c2)cc1	97529636	BEVNMIMUMHDGCU-HNNXBMFYSA-N	403.345	5.185	30	20	HKED	
COc1cc(F)c([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1OC	237248884	PLAPPNPQMVIDAJ-QGZVFWFLSA-N	420.484	5.144	30	20	HKED	
Fc1ccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)co2)cc1	252452490	LNRBQAFABMWODZ-UHFFFAOYSA-N	403.413	5.005	30	20	HKED	
C[C@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	409711339	KYZBKTYUGFKTSE-VIFPVBQESA-N	407.276	5.152	30	20	HKED	
CN(CCCC1(C#N)CCOCC1)Cc1cn(-c2ccccc2)nc1-c1cccs1	410318754	YSUDYDFWTHNMJO-UHFFFAOYSA-N	420.582	5.133	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccccc1SCc1occc1C(=O)OC	410371504	FTOURRVVAXDYFK-UHFFFAOYSA-N	421.518	5.729	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1	430313814	HGZYERVOLPWISV-NSHDSACASA-N	400.265	5.320	30	20	HKED	
CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](CCCC#N)c1ccccc1	431304309	FYBAEYQVJYVVOU-BJKOFHAPSA-N	418.585	5.021	30	20	HKED	
CC(C)n1c([C@@H]2CCCN2C(=O)c2cccc(SCC#N)c2)nc2ccccc21	431324717	XUIIPOKNSSSEOH-NRFANRHFSA-N	404.539	5.210	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C	431367303	BVLQODIUXSQOSM-IIBYNOLFSA-N	423.582	5.089	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)cc(F)cc3Cl)cc2)c1	431634845	OLXMRTVUUDHBKS-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)c1ccc(Br)cc1	432678281	LUIGXANVNFWVOP-HUUCEWRRSA-N	417.372	5.976	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	433432486	HNVCUXKFZYUBJN-IVCWUUCSSA-N	402.460	5.222	30	20	HKED	
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	435097698	HWSFJAXCHSTMMQ-MEKIYTOJSA-N	403.526	5.517	30	20	HKED	
CN(C(=O)c1cc(Cl)cc(Br)c1F)c1cc(Cl)ccc1C#N	435816212	HETUKQZTTQFOQN-UHFFFAOYSA-N	402.050	5.043	30	20	HKED	
CC[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1	436056741	ZAEBEGBSFKJAMN-OAHLLOKOSA-N	403.338	5.694	30	20	HKED	
Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)c1	437124536	IIEAHYNGARJXLM-UHFFFAOYSA-N	419.868	5.198	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1F	437460149	PYWOQZGWIDNIAZ-UHFFFAOYSA-N	417.465	5.671	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437496978	MEIZWJLRPXRYIR-UXHICEINSA-N	402.425	5.240	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	438452657	WIYWFBQFGMLITM-NYVOZVTQSA-N	416.924	5.191	30	20	HKED	
CN(Cc1ccoc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	438544640	FTSGSRBCAZMYMG-UHFFFAOYSA-N	415.371	5.626	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c(F)ccc(F)c4C3)cc2)cc1	438692373	PSKNXHQLFOIYHC-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	439148570	ZDMGWDCAXXYLIN-RBUKOAKNSA-N	423.469	5.180	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(C#N)cc2Cl)ccc1OCc1ccncc1	439439266	FSBHEJQYHNRFBO-MRXNPFEDSA-N	407.901	5.045	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(CCC(F)(F)F)cc3)cc2)nc1	439641360	CSXLNMYXKXFOQE-UHFFFAOYSA-N	411.383	5.493	30	20	HKED	
N#CCC[C@@H](NC(=O)CCSc1ccnc2cc(Cl)ccc12)c1ccccc1	439675121	ZAIVGHJBFVQPBS-LJQANCHMSA-N	409.942	5.532	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)ccc3C)n2)cc1	442669350	AXBJVQQQRZWXFF-KRWDZBQOSA-N	411.324	5.680	30	20	HKED	
CC[C@@H](c1nnc(S[C@@H](C)c2cccc(C#N)c2)n1-c1ccc(OC)cc1)N(C)C	442908642	NYFPBNRNFQXFQV-KKSFZXQISA-N	421.570	5.014	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)cc(F)c1Br	443534050	VKAFDWZSKCBYLI-RHSMWYFYSA-N	420.257	5.031	30	20	HKED	
CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	460578088	RCWFNGHOIBANET-GOSISDBHSA-N	417.479	5.032	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1	463568222	IKPBFMLPHWBOQI-INIZCTEOSA-N	404.441	5.549	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32	464247937	BLBYFOZGTHMRFO-KRWDZBQOSA-N	410.498	5.430	30	20	HKED	
CC[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1OC(F)F	465588095	DMCSYAVJQDPVCT-HSALFYBXSA-N	413.468	5.220	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1	467814332	VWSMPRYBVMVXBT-MRXNPFEDSA-N	414.937	5.060	30	20	HKED	
Cc1cc(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c(C(F)(F)F)o1	468066419	WBMMLQLPLBCNTD-UHFFFAOYSA-N	409.301	5.226	30	20	HKED	
CCCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CCCc2cccnc21	469819417	MUPZLPYKYVHBOI-QHCPKHFHSA-N	400.526	5.270	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1	475553370	UPUDIAXIUQYZHO-HNNXBMFYSA-N	424.932	6.125	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21	475559402	DCXLQONBIMTEDO-XMMPIXPASA-N	406.570	5.832	30	20	HKED	
N#Cc1cc(NC(=O)CC2CCC(=O)CC2)ccc1Oc1ccc(C(F)(F)F)cc1	475963502	DQLZPEVMRSLZIU-UHFFFAOYSA-N	416.399	5.457	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccc1	476832051	QOJMEWGXVVPDGP-IIBYNOLFSA-N	415.306	5.243	30	20	HKED	
CO[C@H](C)c1nc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1	476938820	IFASCWDGBLHOFF-ZIAGYGMSSA-N	421.613	5.117	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(C3CC3)cc2)cc1	480090284	IIXGMKPLSLAJSH-UHFFFAOYSA-N	411.505	5.531	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1C	481407907	ZTXNYUCLJADKHI-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3C3CCCC3)cc2F)c1	481742760	OAYKKJHULNVVGM-JOCHJYFZSA-N	407.489	5.463	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	482863918	VENPLBONQZRKMX-AWEZNQCLSA-N	419.428	5.739	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2)nc1-c1ccccc1	483856832	ZPVORPJACMCJIN-NRFANRHFSA-N	414.509	5.900	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(-c4ccccc4C)no3)o2)cc1	489768321	QZDLVSPWUCODHB-HNNXBMFYSA-N	420.494	5.513	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	491146866	PHICUZRMJGHLFO-UHFFFAOYSA-N	409.537	5.128	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1Cl	491844544	GQXQOTPGNHMTJM-NCPQSORXSA-N	423.944	5.058	30	20	HKED	
Cc1c(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)sc2ccc(C#N)cc12	494518857	HYOOMSMUOSZTBT-NRFANRHFSA-N	401.466	5.135	30	20	HKED	
COc1cccc(C[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	497505434	OAKNPTATWAIIOY-SFHVURJKSA-N	415.493	5.420	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1	506554522	JCFRTGXPYBBXKI-UHFFFAOYSA-N	420.513	5.003	30	20	HKED	
CCOc1ccc(F)c(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c1F	506727686	AAMIRUDYPVRCBZ-HNNXBMFYSA-N	410.289	5.067	30	20	HKED	
CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N(C)[C@H](C)CC#N	506947776	PXCFDTNWWDZTTR-GFCCVEGCSA-N	405.907	5.011	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	508143296	OFCLREFTQSYKTJ-MRXNPFEDSA-N	414.958	5.274	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	508271495	DFRYCTDWNWJVGB-MRXNPFEDSA-N	417.465	5.250	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N	512832196	HBWIXRQLODNIAN-MRXNPFEDSA-N	420.440	5.213	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n1	513695678	JXNLSECFSRPAAI-OAQYLSRUSA-N	404.535	5.818	30	20	HKED	
Cc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)s1	514244079	BXBWLVQXMYURPH-QGZVFWFLSA-N	421.541	5.849	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1	517492446	ZOCQFYKEHLZXRD-OAQYLSRUSA-N	413.477	5.022	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccccn1	517530221	PZABHYYXEWABSW-VGOFRKELSA-N	402.523	5.387	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	520915519	XKXHLLFWIAGRKC-UHFFFAOYSA-N	416.525	5.391	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1[nH]c2ccccc2c1Br	521330608	VGMFFAXEOAYBCH-LBPRGKRZSA-N	414.328	5.577	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2)cc1	521885965	CPORSTXSCVNEIH-NRFANRHFSA-N	421.378	5.364	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21	522462939	FXFVUSLPOOMUAX-RUZDIDTESA-N	423.516	5.447	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)c1	525103628	OFQYGJWLVSAIOT-UHFFFAOYSA-N	417.852	5.141	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2Cl)nc1	531442121	NNXAUUTWDFGZCB-CTNGQTDRSA-N	417.896	5.439	30	20	HKED	
CCc1nnc(-c2ccc(NCc3cccc(OCc4cccc(C#N)c4)c3)cc2)o1	532895037	UVEZYORWIGKRMG-UHFFFAOYSA-N	410.477	5.362	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	534106060	SJITWTGWSLBVIU-CXAGYDPISA-N	424.957	5.998	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OC3CCC3)cc2Cl)cc1	534645332	ZXWNDPOFLRCMDE-UHFFFAOYSA-N	424.928	5.338	30	20	HKED	
C=CCOc1ccc(CN[C@H](c2ccc(Cl)cc2)c2noc(C)n2)cc1Cl	536234138	TWLBHBHNQHCICK-LJQANCHMSA-N	404.297	5.129	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)nc1-c1ccccc1	536658934	VHYZMHPVLWBQSH-OAQYLSRUSA-N	411.509	5.321	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNc2cc(C#N)c3ccccc3n2)on1	537570377	JRGZWKFXSLJSSC-UHFFFAOYSA-N	406.445	5.535	30	20	HKED	
O=C(Nc1c(F)cc(Cl)cc1F)N[C@H](c1cccc(F)c1F)C(F)(F)F	541453046	WAKCGOKTRNPVLU-CYBMUJFWSA-N	400.681	5.322	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)C[C@H](C)c1nccs1)c1ccc(C(F)(F)F)cc1	541480949	IRUHBDCNWKZTTB-YOEHRIQHSA-N	411.493	5.614	30	20	HKED	
C=CCC[C@H](Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1ccco1	552277829	LDBNNNKFIJDPQF-SFHVURJKSA-N	403.320	5.398	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2Cc3cccc(Cl)c3C2)cc1	554423269	YRFXMJPFJSOXKW-UHFFFAOYSA-N	417.896	5.533	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1	554962475	UGDWEIXOEAPOLO-FZKQIMNGSA-N	403.309	5.317	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccoc1C	559962237	QZXWWVULXNXEKT-CYBMUJFWSA-N	415.469	5.631	30	20	HKED	
Cc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1C(=O)N1CCCCC1	562078329	AIIOLFNDOWCTFJ-UHFFFAOYSA-N	401.432	5.124	30	20	HKED	
C[C@H](c1ccccc1)N(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CC1	562087330	MYEJIGIKJIVXPD-CQSZACIVSA-N	403.404	5.257	30	20	HKED	
O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1SCc1c(F)cccc1F	569895832	SUVYKMQKWXVSOP-UHFFFAOYSA-N	400.275	5.214	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1cccc2ccccc12	570442040	CNRVWRAKPSQVRB-KRWDZBQOSA-N	408.461	5.338	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2)ccn1	572892709	PGUJEEWNPKDGEZ-HXUWFJFHSA-N	420.469	5.243	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C	573404043	VNAOQIIZAMKZPE-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1ccccc1OC	575165811	ZVKUGQPPAPAWPM-NRFANRHFSA-N	411.509	5.029	30	20	HKED	
N#CCc1ccccc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	577320477	FZRVHOSHFCKMNF-UHFFFAOYSA-N	415.280	5.071	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2)ccn1	582598903	LKQPDPNFWZQIHO-JOCHJYFZSA-N	402.429	5.254	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc(-c2cc3ccccc3n2CC#N)n1	586757814	MATJYLWMMIZOQC-LJQANCHMSA-N	420.900	5.427	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1	589509393	ILUCBKLTYNQBKQ-UHFFFAOYSA-N	409.486	5.137	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@@H](CCCC#N)c3ccccc3)cs2)cc1	590477686	IWGYICYMQAJSDO-QHCPKHFHSA-N	417.578	6.027	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc2cc(Cl)ccc2s1	592994358	WASADWPMLWORLL-UHFFFAOYSA-N	411.379	5.812	30	20	HKED	
N#CCCCOc1cccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	600551150	GIPXOKYEYXWXMT-UHFFFAOYSA-N	402.338	6.019	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccccc1	602099162	QQTLHMUTVRJOTD-HTAPYJJXSA-N	416.908	5.843	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	603524916	PYPSIUBJEKOEAF-UHFFFAOYSA-N	409.942	5.316	30	20	HKED	
Cc1cc(Cl)cc2nc(SCC(=O)c3cn(CCC#N)c4ccccc34)oc12	604933818	SDWBTXZLBPFZAC-UHFFFAOYSA-N	409.898	5.633	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccccc2F)o1	609377798	NDDMCVIQZMJUIO-OAHLLOKOSA-N	409.486	5.304	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)cc2)cc1	609501549	XNYLXCICDZVVQN-UHFFFAOYSA-N	412.424	5.122	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)cc2)cc1	609502611	OVIZYGNEYOVJBD-UHFFFAOYSA-N	421.456	5.985	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)c2)c1	609693830	GHXQCAVWSGTLGI-UXHICEINSA-N	404.416	5.158	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nc3ccsc3s2)cc1	609810043	GAJZUXIGZLMIRZ-UHFFFAOYSA-N	422.510	5.603	30	20	HKED	
N#Cc1ccc2ncc(/C=C\c3nc(-c4ccc(Br)cc4)cs3)n2c1	609910534	SJNVLQPMKRCLRR-VURMDHGXSA-N	407.296	5.262	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(CNC3CCN(c4ccc(C#N)cn4)CC3)o2)cc1	610346238	QAOAOEJDMRUKCL-UHFFFAOYSA-N	414.553	5.269	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)c3ccc(Br)s3)c2C#N)C1	610387547	FVOCBHUZFRJXKA-ZJUUUORDSA-N	409.374	5.311	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1-c1ccccc1	613319243	WUZNWMPYEKLTIW-LJQANCHMSA-N	412.518	5.357	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(OC3CCCC3)cc2)c1C#N	614971181	DQLGKVOGLBFJFG-UHFFFAOYSA-N	418.522	5.040	30	20	HKED	
C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2ccncc2)c(C)c1	646614150	GKNACZOABDDTRH-UHFFFAOYSA-N	410.477	5.060	30	20	HKED	
Fc1cccc(F)c1-c1nc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)co1	676883519	NCBGACCAELLANX-NXEZZACHSA-N	414.296	5.183	30	20	HKED	
Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc(C(F)(F)F)c1	683089513	MWTMACVBZXKGGQ-QWRGUYRKSA-N	408.264	5.218	30	20	HKED	
N#CC1(c2ccccc2)CCC(=NNc2nc(C(F)(F)F)nc3ccccc23)CC1	725831921	YAVOIEDJMWGNAH-UHFFFAOYSA-N	409.415	5.452	30	20	HKED	
CC(C)n1ncc2c(C(=O)O[C@H](C)c3cccc(C#N)c3)cc(-c3ccco3)nc21	727639419	NGWGQHADRVKSSL-OAHLLOKOSA-N	400.438	5.062	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C\C(=O)c1sc(-c2ccccc2F)nc1C	728442064	VEFBEYRQRBPRLT-KTKRTIGZSA-N	413.470	5.180	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	728697873	YPNBYMMGZAYUDB-NTYUQYKDSA-N	413.317	5.911	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	729891446	IUVDLXJUCMEABA-PMGRVEHTSA-N	410.926	6.017	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	730452989	KJXVPUHWPGVWQF-UHFFFAOYSA-N	420.412	5.124	30	20	HKED	
FC(F)(F)CC(=NNc1cnnc2ccccc12)c1ccc(Br)cc1	733750328	UMKNMFKVWVOMAQ-UHFFFAOYSA-N	409.209	5.161	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)c1cc2ccccc2n1CC#N	734734515	BEUVOGVEYUFLSN-OAHLLOKOSA-N	419.481	5.654	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)cc1OC	735823574	IXZYWBKBACPGCB-FFWXCITRSA-N	419.525	5.081	30	20	HKED	
CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1cnn(-c2ccc(C#N)cc2)c1C	741811903	GAHTVZLRGOVXPI-UHFFFAOYSA-N	414.900	5.399	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C)cs1	743097826	XOIIKBFDWNHODP-REWPJTCUSA-N	404.539	5.554	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030363	FNPJHJYDOLEZRO-DOMZBBRYSA-N	407.272	5.049	30	20	HKED	
COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)c1ccccc1	746658684	GFJCOBACHFRFQJ-NBGIEHNGSA-N	413.521	5.584	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cnn(C(C)C)c2)cs1	746686870	NVBCHCYYKOGNBB-TWGQIWQCSA-N	414.918	5.155	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)nc1Cl	752981077	XNTZPEBOHDNYDZ-UHFFFAOYSA-N	409.685	5.289	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)/C=C\c2ccccc2C#N)n1	753273811	SOUGRLZHQOJMAJ-YFHOEESVSA-N	406.873	5.112	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2cc(C(F)(F)F)ccc2Cl)ccc1OC	753854054	PIIPKKQMEDPSDU-MRXNPFEDSA-N	412.839	5.338	30	20	HKED	
COc1ccc2c(c1)C=C(C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CO2	756229809	BQSJYGPVADWAKR-GOSISDBHSA-N	422.893	5.124	30	20	HKED	
C/C(=C/c1ccccc1Cl)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	756503364	GFTYJNQOMMSPJD-WQTVUKCASA-N	423.925	5.209	30	20	HKED	
N#C[C@@H](C(=O)C1CCC(F)(F)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	759216113	JDJLNDKWDCFAOQ-ZDUSSCGKSA-N	415.292	6.119	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc2cc(F)ccc2s1	759329985	VGJNMKOZDSKTHA-MOEXGYKKSA-N	407.857	5.527	30	20	HKED	
COc1cc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)ccc1OCc1ccccc1	768201368	WKQITGDVONAMGI-FQEVSTJZSA-N	416.521	5.197	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O	768356482	KXWUYAIFGYWTSX-UHFFFAOYSA-N	424.884	5.017	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771098820	QMACIMYOKFHUNB-IJDCCNJMSA-N	424.497	5.188	30	20	HKED	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N(CCC#N)Cc2ccccn2)cc1	772689102	WHTSDEKCBNXHBL-UHFFFAOYSA-N	412.497	5.119	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2sc(C(C)(C)C)nc2C)ccc1OC	772983936	AWNJAPHDIAZWAD-RHSMWYFYSA-N	401.576	5.289	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(SC3CCCC3)cc2)ccc1OC	772987488	XCVAYNSAKIPRPP-GHTZIAJQSA-N	424.610	6.262	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccn1[C@@H](C)Cc1ccccc1	773760154	LEAFFYXPRLCHSJ-LAUBAEHRSA-N	409.489	5.287	30	20	HKED	
C#CCOc1cccc(Cl)c1CNc1cccc(C[S@@](=O)Cc2ccccc2)c1	778173762	STFRWEJMRJISQT-LJAQVGFWSA-N	423.965	5.413	30	20	HKED	
C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1)c1ccccc1	778426825	CDUHDXWPKHNUOE-NRFANRHFSA-N	406.507	5.231	30	20	HKED	
N#CC1(COC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)CCOCC1	780538789	POFOMXJEAKKUCO-UHFFFAOYSA-N	406.265	5.263	30	20	HKED	
CO[C@H](C)c1nc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1	781846791	NGATXZSRNGPIQV-OAHLLOKOSA-N	424.547	5.371	30	20	HKED	
Cc1cc(C)c(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1	784491758	ZGQLTKYGCQUIER-QFIPXVFZSA-N	412.489	5.294	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C/C(=O)c1cccc(-c2ccncc2)c1	794700333	JAECQJVDHBWXMV-CMDGGOBGSA-N	400.869	5.187	30	20	HKED	
CCc1ccc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1	796781164	XBCWUBDYCCKXAK-INIZCTEOSA-N	414.433	5.271	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNCc1ccc(C#N)c(Cl)c1	800895984	SEPMTHLUCIYVSN-UHFFFAOYSA-N	419.743	5.362	30	20	HKED	
Cc1ccc(Cn2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCC4)c2Cl)cc1	863967329	SKYYCIOCXZBUOF-UHFFFAOYSA-N	424.957	5.266	30	20	HKED	
O=C(/C=C\c1cccc(/C=C\C(=O)c2cc(F)ccc2F)c1)c1cc(F)ccc1F	916133448	PQPWMXHUPLEWJP-GGXLTUIBSA-N	410.366	6.035	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1	916905542	DOJZXNAIOUUXPV-VGOFRKELSA-N	420.553	5.224	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(-c4ccc(F)cc4)noc3C)n2)cc1	916974177	FVGXOQQVDPPFGJ-SFHVURJKSA-N	417.465	5.711	30	20	HKED	
CC(C)(C)c1ccc([C@H]2CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	917143557	KHKLICVXBWCPQC-JTHBVZDNSA-N	424.548	5.358	30	20	HKED	
O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(-c2ccc(C(=O)O)o2)cc1	920065903	MKMSZYBQQGQLMN-AATRIKPKSA-N	407.472	5.726	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cc1OC(F)F	920480571	IKXYGKMBNFDBHX-WAPJZHGLSA-N	402.315	5.134	30	20	HKED	
Cc1[nH]c2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2c1C	920871535	BJFAREDZFHEALI-XMMPIXPASA-N	408.505	5.762	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1	1789291777	PVXNPPWKKKUQOO-UHFFFAOYSA-N	420.509	5.202	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(F)CCCCC2)n[nH]1	1818882327	UFHPSYOWRGYJLE-SFHVURJKSA-N	418.557	5.067	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2F)CC1	1823751242	NDDJEIPVZDGHJF-IBGZPJMESA-N	420.594	5.113	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1	1823911668	BURBHZGILGVTPS-JTSKRJEESA-N	416.993	5.094	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccncc1	6907792	NWAAWBZBKBNFKQ-DLBZAZTESA-N	421.570	5.159	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(C)cc1	10173109	VGROXYVMDTWANO-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(CC)cc2)cc1	11247080	IZKUBIQDOMTXNY-UHFFFAOYSA-O	407.534	5.289	30	20	HKED	
COc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1	11261362	WPXKSPPHVSBJEK-UHFFFAOYSA-O	419.570	5.465	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1oc2ccc(CCC(C)=O)cc2c1C	18890394	XUFQDCBGLVPRBX-UHFFFAOYSA-N	415.942	5.806	30	20	HKED	
N#CCc1ccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1	28670256	TXDYOYOVBCOCGZ-UHFFFAOYSA-N	402.841	5.104	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(-c3ccc(Cl)cc3)o2)n1	98074266	RILFVERCQSIPAJ-UHFFFAOYSA-N	410.808	5.276	30	20	HKED	
C#CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C1CCCCC1	109329481	SGNRXTYMKDXGTC-UHFFFAOYSA-N	418.541	5.297	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(C2CCCCC2)no1	237457216	YBHWYKHJQPGEJS-GOSISDBHSA-N	416.525	5.419	30	20	HKED	
CCc1ccsc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	410050821	VLFBFYDCDNGBCF-UHFFFAOYSA-N	421.469	5.501	30	20	HKED	
O=C(c1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	410108526	JVUHAHWWOYRDBG-UHFFFAOYSA-N	420.328	5.220	30	20	HKED	
CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	429468195	KHPVMRQOQZTVAK-UHFFFAOYSA-N	417.513	5.054	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)s1	430623974	HOVUEUKOAQLAIE-FQEVSTJZSA-N	415.518	5.381	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H](c1ccccc1)c1ncc[nH]1	432770469	SPBSGUQRFMEALV-QHCPKHFHSA-N	423.476	5.327	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1nccc2ccccc12	433205276	KHIFHDLVHRGVJT-DEOSSOPVSA-N	401.469	5.728	30	20	HKED	
CCN(C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)[C@@H](C)c1ccc(C#N)cc1	433854101	MXEWUDFVWWQLSI-KXYZOEOQSA-N	404.476	5.617	30	20	HKED	
CC(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	435744444	XMJFDPHHUNSTIE-HNNXBMFYSA-N	416.333	6.125	30	20	HKED	
O=C(N[C@H]1CCCC(F)(F)C1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436383851	CWTUFNPGDDJCLM-STQMWFEESA-N	418.328	5.576	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1F	437206465	DDZCOYLKHMBCCC-MRXNPFEDSA-N	422.500	5.662	30	20	HKED	
Cc1c(NCc2ccc(C#N)cc2OC(F)F)cccc1C(=O)Nc1ccccc1	439556004	IQUQPSYZZTXCLX-UHFFFAOYSA-N	407.420	5.333	30	20	HKED	
CN(C)CCCN(CCC#N)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1	444400547	ZMMTTWNANIJLOL-UHFFFAOYSA-N	416.978	5.190	30	20	HKED	
N#CC(CCN1CCC(n2cc(Cl)cn2)CC1)(c1ccccc1)c1ccccc1	444671057	IXVGYGCOOVYBTC-UHFFFAOYSA-N	404.945	5.073	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1	445760681	QYBBVTHPGLAFNT-NRFANRHFSA-N	400.444	5.059	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)N[C@H](C#N)c1cccc(Br)c1	461079464	FMYARBPRIIVAII-OAHLLOKOSA-N	409.736	5.209	30	20	HKED	
O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1F	464145014	OQYREOJUNKXFKT-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(C(F)(F)F)cc1	465570803	MOQSFUPCJWUKCK-CWFSZBLJSA-N	401.432	5.248	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Oc4ccccc4)ccn3)n2)cc1	466984169	YMGAKSUFOIHHLU-HXUWFJFHSA-N	411.486	5.796	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)sc1-c1cccc(Cl)c1	468647217	IDRVFSATQXICNX-SIKLNZKXSA-N	414.958	5.444	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1	469130020	ZCEHJBPTMJJEHI-IBGZPJMESA-N	418.566	5.058	30	20	HKED	
N#Cc1cc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1F	469213845	WAXFJRUTZOJOJZ-UHFFFAOYSA-N	419.243	5.016	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C	469937144	YSRMIHOSJRYQBM-UHFFFAOYSA-N	404.417	5.179	30	20	HKED	
CC[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[C@H]1c1ccccc1	470019741	HWKFYXUJEIGDKF-AUSIDOKSSA-N	414.505	5.386	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ncsc2C(F)(F)F)cc1Cl	471753010	CQWUEIDYAQUERO-AWEZNQCLSA-N	421.831	5.723	30	20	HKED	
N#Cc1cn(CC2CCC(C(F)(F)F)CC2)c2ccc(Br)cc2c1=O	472195177	RZAFSZNVHPVYKZ-UHFFFAOYSA-N	413.237	5.004	30	20	HKED	
CCCCn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)n1	472560046	IMSIGOMEYAPDPJ-UHFFFAOYSA-N	402.498	5.003	30	20	HKED	
COc1ccc([C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccc(F)cc2)cc1	475176639	TULXRNDMXTWJGD-PXDATVDWSA-N	402.469	5.127	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1Cl	476507097	GOQLNJGGTWWXNM-NFBKMPQASA-N	415.924	6.017	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(Oc4cccnn4)c3)cc2)cc1	479816323	HAPCJBVFEQDPDF-UHFFFAOYSA-N	422.444	5.380	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1	480548793	FULBHKDKOYVKIC-VQIMIIECSA-N	420.538	5.839	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1cnc2ccccc2n1	483209703	ZFABYTOBXNYIMF-LJQANCHMSA-N	420.447	5.262	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)sc21	483241542	WIGNEGCJLPPJFY-KRWDZBQOSA-N	423.501	5.137	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1	486804982	MXWLERWFBQEFIM-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
CC(C)c1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1ccccc1	486885431	KIIRJKVHHCLJRT-UHFFFAOYSA-N	401.514	5.310	30	20	HKED	
Cc1ccc2ncc(C#N)c(N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)c2c1	488132338	UIFBBBKFOZPXOL-ZDUSSCGKSA-N	402.445	5.274	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Oc4ccncc4)c3)cc2)c1	493600139	BCGQAYYYFRIKQX-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cnccc2Oc2ccccc2)cc1	499606359	AEKYXDQRNRGAFF-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	500200307	XWQDHLHTOOTWBT-UHFFFAOYSA-N	413.264	5.567	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1	500583689	QRWCMWKWXOVEBA-DHIUTWEWSA-N	410.473	5.191	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Br)s1	500741992	IZYWRVQUUMUXTR-UHFFFAOYSA-N	413.296	5.735	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2ccc3ccccc3c2)cc1C	501844595	GNYBOCPVNVPSGQ-UHFFFAOYSA-N	422.532	5.206	30	20	HKED	
CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1	503020322	PQGNHVZRGKKPHG-AZUAARDMSA-N	412.917	5.324	30	20	HKED	
CCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	503570946	FIJQJLDKSOEDLC-HNNXBMFYSA-N	422.897	5.024	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	505310078	HWJPMGCYCFIYGG-IOMROCGXSA-N	403.551	5.791	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)o2)cc1	505972479	XICLSSNMAQUEOJ-SFHVURJKSA-N	413.260	5.451	30	20	HKED	
CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(Cl)c1C#N	506209284	VJQNBSXFMPVFCP-LBPRGKRZSA-N	416.852	5.002	30	20	HKED	
Cc1ccc([C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)c2ccccn2)cc1	506911217	KOZRYTZYHKPCIE-RUZDIDTESA-N	408.505	5.168	30	20	HKED	
CCN(C(=O)CCSc1ccccc1Br)[C@@H](C)c1ccc(C#N)cc1	509564368	NAALNSJLARVHLV-HNNXBMFYSA-N	417.372	5.413	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1	509854769	ORVLHALAJOQFSH-UHFFFAOYSA-N	423.513	5.037	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1	512762851	GPZJFKDTVKIJMQ-INIZCTEOSA-N	417.534	5.438	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3c(c2)CCCO3)cc1	513974982	VWDIFXYQKWFSPF-UHFFFAOYSA-N	415.468	5.257	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)Cc2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)cc1	515182277	RRSYSRPMPPFSIQ-OAHLLOKOSA-N	420.488	5.101	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	515442089	GECLUAJQCXOUIH-UHFFFAOYSA-N	413.477	5.128	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2[C@H]3CC[C@H]2c2ccccc23)cc1	515559573	QDWCLRSCVVMRER-DQEYMECFSA-N	409.489	5.755	30	20	HKED	
CCN(C(=O)c1cc(C)nc2cc(Br)ccc12)[C@@H](C)c1ccc(C#N)cc1	515700870	BRGXUQXPYIEHFR-HNNXBMFYSA-N	422.326	5.401	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1OCC(F)(F)F	517455611	VGEUKCYYYLSXED-CQSZACIVSA-N	424.444	5.039	30	20	HKED	
CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)Cc1ccc(OC)cc1	517508473	LSYMOQRNGNZRGR-IBGZPJMESA-N	414.505	5.452	30	20	HKED	
CCc1nc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1	517868781	LYJBFXYQWVDENL-LJQANCHMSA-N	424.957	5.678	30	20	HKED	
CC(C)c1ccccc1OCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	519128968	JBVMAILYGDXDLU-DEOSSOPVSA-N	414.505	5.149	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)c1	519185076	YPRJDMDWPLDCEK-UHFFFAOYSA-N	421.500	5.033	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCOc1cccc(Cl)c1Cl	520825141	YRVHURUGVZLLCG-ZDUSSCGKSA-N	409.338	5.653	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1Cl	521691555	AWLUNXONNIXBAI-QLFQASJLSA-N	419.956	6.038	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCCCC[C@H]1c1cccc(C)c1	522731023	UXQMOFSOOXJTLY-QFIPXVFZSA-N	406.526	5.178	30	20	HKED	
Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1NC(=O)CC(C)C	524662037	MTFCHMMRMGTFNM-UHFFFAOYSA-N	417.534	5.832	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1	527057033	ATHYQWZWSGWQQH-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cc2ccccc2s1	527194295	UKZPXSYJSZRCIT-CVEARBPZSA-N	409.580	5.442	30	20	HKED	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	531853983	SMTOVXDQFSMJGP-UHFFFAOYSA-N	423.567	5.052	30	20	HKED	
N#CCC[C@@H](NC(=O)CCSc1ccc(Br)cc1)c1ccccc1	532691528	NMCUGANAJQCRMY-GOSISDBHSA-N	403.345	5.093	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1C1CC1	536327387	CJEAIJVIJGYIHZ-INIZCTEOSA-N	415.497	5.351	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C(F)(F)F)cc1	536839313	OVILOAMHOFRSOA-IIBYNOLFSA-N	400.448	5.644	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)nc2ccccc21	538685757	RTZIINBYEGHYMP-QGZVFWFLSA-N	406.917	5.162	30	20	HKED	
Cn1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1-c1ccccc1	540458222	HREOOTZHRBZURS-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC(=O)c2ccccc21	550706887	MWMHWIVAIOIWHH-INIZCTEOSA-N	418.440	5.410	30	20	HKED	
Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1-c1ccncc1	552880844	XLQTYNAOJABNPA-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCC(=O)c2ccccc21	559561398	KQASCRFSDMJJLB-QHCPKHFHSA-N	410.473	5.145	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	566810462	LUGUTKAUOQOTRH-UHFFFAOYSA-N	412.489	5.242	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(SCc2cccnc2)cc1	604163843	CDHFYWIDNARKFE-QHCPKHFHSA-N	417.534	5.288	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)s2)c(C)c1	605363261	RBPGREAPXXYGFW-KRWDZBQOSA-N	400.507	5.410	30	20	HKED	
C[C@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	606168300	CVFIHAFAEVIKRZ-CQSZACIVSA-N	413.361	5.386	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2sc3c(c2C#N)CCCCCC3)n1	609020146	LBQCWFALLVSFRA-UHFFFAOYSA-N	420.538	5.704	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ncc(Cc4ccccc4)s3)o2)cc1	609055056	VVPPVTWODLSHER-UHFFFAOYSA-N	415.474	5.030	30	20	HKED	
CSc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-]	609063785	BPJNKFUZWLMMJN-UHFFFAOYSA-N	419.462	5.020	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)Nc2ccc(F)c(C#N)c2)c2cnn(C(C)C)c2n1	609102432	PMICBLZGOWWANV-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1	609376575	FUKPEECLGXGOMI-CQSZACIVSA-N	411.527	5.377	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F	609386970	BGFGQSHXUMYOTF-UONOGXRCSA-N	407.461	5.396	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)oc12	609435305	FNRVICCRDHLKLG-CVEARBPZSA-N	423.538	6.108	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	609585176	WZNNSHXPTCTXNP-IAGOWNOFSA-N	423.582	5.135	30	20	HKED	
N#Cc1ccc([C@@H](Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)C(N)=O)cc1	609676462	BRVZZENHYGVAHH-HXUWFJFHSA-N	411.383	5.008	30	20	HKED	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N	609820403	UAKWKZBIUZRTFF-GCJKJVERSA-N	408.567	5.281	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c(Cl)c1	611097217	XPRMMIZWBAZORA-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
COc1cc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)cc1[N+](=O)[O-]	611255727	SFNOBYAJWNPOGK-YUMQZZPRSA-N	404.282	5.064	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccc(Cl)cc1	613292810	XQTBCQNTGQOGFR-LJQANCHMSA-N	414.896	5.687	30	20	HKED	
Cc1sc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)nc1-c1ccc(Cl)cc1	614184813	QSFJNERHUSQJAJ-HNNXBMFYSA-N	409.986	6.424	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)s3)cn2)c1	614605529	YVADSSRPPZUDOQ-UHFFFAOYSA-N	421.869	5.103	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1-c1ccccc1	617601164	RQMQKJNWHDZOTK-UHFFFAOYSA-N	413.525	5.461	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ncc(-c2ccc(Cl)cc2)o1	642252176	RGTSCHLAQXEJSR-UHFFFAOYSA-N	422.941	5.656	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CCC(C(F)(F)F)CC1	683441261	WNVJUIQSMQOPEK-TVUZUIDESA-N	413.324	5.381	30	20	HKED	
Cn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2cc(F)ccc21	684631047	JXJPVQUDQIIMJW-CYBMUJFWSA-N	417.387	5.436	30	20	HKED	
CN(C)c1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726474897	MDRLQMWDSAPBRI-UHFFFAOYSA-N	424.957	5.270	30	20	HKED	
C#Cc1cccc(N2C(=O)/C(=C\c3csc(-c4ccccc4)n3)SC2=S)c1	726627516	RDWCZDTZVHIXFS-LDADJPATSA-N	404.541	5.197	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1	728737510	IEUIBBHIZROCNM-CLJLJLNGSA-N	418.500	5.648	30	20	HKED	
C#Cc1ccc(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nc1	729008890	JLKPKEMTFFHUGR-INIZCTEOSA-N	415.880	5.032	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)c1	729165354	VAJHUFRKHXSCIV-UHFFFAOYSA-N	406.338	5.105	30	20	HKED	
Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc2c(C)cccc12	731074413	QNXQNAJMYMVTEK-OAHLLOKOSA-N	422.506	5.239	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2cccc(Cl)c2)n1	731982445	UXVGCTCXZZZNDC-UHFFFAOYSA-N	418.909	5.213	30	20	HKED	
C=CCOc1ccccc1CN(C(=O)CCc1c(C)n[nH]c1C)c1ccc(C)c(C)c1	732114810	MNKLRBQZIQMLTR-UHFFFAOYSA-N	417.553	5.374	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	732496015	LIBCXWZOERMWOT-DOMZBBRYSA-N	407.322	5.069	30	20	HKED	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	735115694	LRPGRMDBRNITQR-CQSZACIVSA-N	422.868	5.209	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cnc2ccc(Br)cn12	736411079	YRLCYNWQWQXNJV-SREVYHEPSA-N	404.333	5.055	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1cncc(F)c1	737424392	HCHNXYVLMBLWFQ-UHFFFAOYSA-N	411.502	5.013	30	20	HKED	
COc1cc(Br)c(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc1O	741473459	PZZXQUSXUVBOSX-WAYWQWQTSA-N	410.267	5.121	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)c2ccccc2OCC#N)C(C)C)cc1	741639329	FSRKWVQCLBPPSN-UHFFFAOYSA-N	414.505	5.315	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)c1	741933317	FEAIQNFNBRCFJW-LOSJGSFVSA-N	412.533	5.400	30	20	HKED	
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	742537486	KOIUXUGSKWNOBV-VWLOTQADSA-N	423.516	5.177	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	744027231	NIPMQPMNXMGHQM-CXAGYDPISA-N	420.456	5.057	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2ccsc2c1	744027998	GLAKXXONMHMGJQ-QGZVFWFLSA-N	413.458	5.050	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(CC3CCCC3)CC2)cc1	745268079	LKGHZXJRGLXWEX-RUZDIDTESA-N	416.569	5.118	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=S)Nc1ccccc1C#N	745675297	MUXVEAAIVVZMTR-UHFFFAOYSA-N	406.324	5.067	30	20	HKED	
Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc(C(C)C)cs3)cs2)cc1	747198354	FYCAYTXJWNHESE-KRWDZBQOSA-N	411.552	5.029	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)/C=C\c1ccc2ccc(Cl)cc2n1	752039375	QRXBCUJHKJTXMA-BBIBPOGFSA-N	401.897	5.200	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)n2)cc1	755633617	DAWWAMNGFYLZTE-RNUYOQPASA-N	419.462	5.007	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1cc(Br)cc(Cl)c1O	756820932	STCDHXHLNZUWMI-LBPRGKRZSA-N	409.711	5.664	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cnc([C@@H]2CCCO2)s1	760343313	RCNDGFAVVSEWCK-KRWDZBQOSA-N	415.584	5.385	30	20	HKED	
N#Cc1c(Cl)cccc1SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	771458987	YICMGZFSSCKMNF-OAHLLOKOSA-N	409.923	5.304	30	20	HKED	
Cc1ncc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	772421049	JUBYFHGBQMRLBF-UHFFFAOYSA-N	412.902	5.133	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CSCc3ccccc3)n2)cc1	772976581	ZBKDOAFLHOJYDF-JXFKEZNVSA-N	422.575	5.564	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1	772982296	BWQJGEVVXYFKMV-UGKGYDQZSA-N	402.542	5.329	30	20	HKED	
Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)s1	773958287	ZTTKESCNUGLKBG-SFHVURJKSA-N	413.502	5.422	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1NC(=O)OC(C)(C)C	774161865	GOCNJXHOQZEMMY-UHFFFAOYSA-N	413.543	5.825	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1	780168163	ATRCUTKEOFXDLJ-KRWDZBQOSA-N	415.493	5.715	30	20	HKED	
COc1ccc2cccc(CC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2c1	780315628	VDCWXRUVTZWRRG-GOSISDBHSA-N	406.894	5.530	30	20	HKED	
C=C[C@@](C)(CCOC)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	783069712	LDKALZZBVZTKHE-LIRRHRJNSA-N	409.338	5.522	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1	786131584	IRULWDKHHKWPDF-DVECYGJZSA-N	411.505	5.351	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1	789452067	PNFJCGSUTTUADE-UHFFFAOYSA-N	406.486	5.623	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1	789718765	DMIXVPBTBGPXSR-UHFFFAOYSA-N	403.276	5.462	30	20	HKED	
CN(c1ccccc1)c1ccc(/C=C\C(=O)c2cc(Br)ncc2F)cn1	797789517	RVONHKBXIDOSQG-CLFYSBASSA-N	412.262	5.042	30	20	HKED	
N#Cc1cc(NC(=S)Nc2cccc(Br)c2)ccc1OC(F)(F)F	799511562	NMSVZLRMBYSIGN-UHFFFAOYSA-N	416.222	5.028	30	20	HKED	
COC1CCN(c2ccc(Nc3nc(Cl)c(C#N)s3)cc2C(F)(F)F)CC1	804428541	RPIZEKUYVQENKO-UHFFFAOYSA-N	416.856	5.046	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1SCc1cc(C)no1	804559454	ZIFKLJOMTVVUST-UHFFFAOYSA-N	424.570	5.271	30	20	HKED	
COc1ccc(/C=C\C(=O)c2coc(C(C)C)n2)cc1OCc1ccc([N+](=O)[O-])cc1	806557792	IVZJFCINACIVIT-POHAHGRESA-N	422.437	5.190	30	20	HKED	
CC(=O)N(c1nc(/C=C2\C(=O)c3ccccc3[C@@H]2C)cs1)c1ccc(F)cc1F	809159314	NIMGOHGXUGZMNZ-XACIZNRCSA-N	410.445	5.489	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cccc(Br)c1)c1cc(C(F)(F)F)ccn1	813214091	PBKLGWGGHGTJNX-OAHLLOKOSA-N	411.221	5.062	30	20	HKED	
Cc1cc(CC(C)(C)C(=O)[C@H](C#N)c2nc3ccccc3n2C)ccc1Br	815897732	FZSPBWZZVBQILE-INIZCTEOSA-N	424.342	5.089	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)/C=C/c3ccsc3)s2)c(C(F)(F)F)c1	916056835	ZISLCPSIWPRIRU-DUXPYHPUSA-N	419.453	5.338	30	20	HKED	
O=C(Nc1cccc(/C=C2/CSc3ccccc3C2=O)c1)c1ccccc1Cl	916154756	STDJCASJKPILJE-VBKFSLOCSA-N	405.906	5.964	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(C)n1C1CC1	916276979	OBDKWKCOGBFPBB-UHFFFAOYSA-N	406.342	5.176	30	20	HKED	
Cc1cc(C)cc(OCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916976478	PIBHQJDSOXGNQZ-LJQANCHMSA-N	410.926	5.726	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2C)no1	917043399	IHDRXIBARZCTOT-HNNXBMFYSA-N	410.886	5.144	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1ccc2ccccc2c1	917424127	DASWVXFZKVAEDB-LJQANCHMSA-N	420.896	5.090	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1	1789453085	JOXNKVWRAHUYSH-HXUWFJFHSA-N	423.582	5.276	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1	1789456264	PTIPJNVRUBFHJQ-QHCPKHFHSA-N	413.521	5.074	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC=CCC3)cc2)CCC1	1791993764	GRDBLCSGVSQLFQ-NRFANRHFSA-N	402.485	5.078	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)cc1	10173557	DWUUMIPRWKYJQG-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccccc2)cc1	23603824	INUQUWGYVJOFDK-UHFFFAOYSA-O	420.602	5.874	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	41557423	VJBCIQPHRDPFJY-LJQANCHMSA-N	412.399	5.460	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1	43657416	VHZLFQFDTSMPBY-UHFFFAOYSA-N	415.493	5.168	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(C)C	46443243	APMPRAZPGDCXIV-SFHVURJKSA-N	406.507	5.404	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)COC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	50206165	UTDDNPBITFTNAE-INIZCTEOSA-N	415.301	5.637	30	20	HKED	
CCOc1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	54443931	QUNQTUWERZKEPF-UHFFFAOYSA-N	415.493	5.052	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	55823537	LZTLVJRYXCBEQR-IBGZPJMESA-N	400.478	5.046	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1	63164762	QXGTYFHHESIHNN-UHFFFAOYSA-N	403.482	5.411	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@@H]2CNCc2cn(CCC#N)nc2-c2ccccc2)cc1	237667903	BEGOJUQOWGXVND-ZEQKJWHPSA-N	414.553	5.030	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1	303252863	CLPVFNRRGJPIES-OAHLLOKOSA-N	423.563	5.713	30	20	HKED	
C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	303310155	FLUOKINAHJYDCN-KRWDZBQOSA-N	401.466	5.199	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl	303449673	JEJCFHIFUUEKEA-HOTGVXAUSA-N	412.238	5.284	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)nc2ccccc21	303457793	FDNZLRJKVAMCLC-QGZVFWFLSA-N	403.388	5.134	30	20	HKED	
CC[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(C)cs1	303699762	XBCZTKCHPPUREP-SFHVURJKSA-N	411.914	5.650	30	20	HKED	
C=CCN(C(=O)c1cscc1Br)c1nc(-c2ccccc2)cs1	404774225	RSVQXWMLHLLHBW-UHFFFAOYSA-N	405.342	5.467	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(OC3CCCCC3)cc2)c1-c1ccccc1	428726201	UFIZJYAGBFVJNG-UHFFFAOYSA-N	414.509	5.428	30	20	HKED	
C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431856939	XAAIUSDCJDBLGO-LPHOPBHVSA-N	419.447	5.207	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccccc1	435602762	WXIRNWDPYVSQAG-JOCHJYFZSA-N	418.497	5.430	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCOc1ccc(C#N)cc1	437946804	KHBDNNODPRUZDP-IBGZPJMESA-N	415.493	5.207	30	20	HKED	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	437958620	WENNZBAQIZZTCX-GOSISDBHSA-N	405.420	5.030	30	20	HKED	
C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	437962747	YSSKVSMOXCXUJJ-QGZVFWFLSA-N	415.468	5.255	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cnccc2-c2cccc(F)c2)o1	439672363	QXELPJDNVHDBQG-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CCCCOc2cccc(C#N)c2)c1	441414771	KVIHUQRNLPBABW-UHFFFAOYSA-N	417.484	5.183	30	20	HKED	
Cc1ccc(C)c([C@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@@H](C)CO2)c1	444243861	IVLCUBRLAJFWCV-NBGIEHNGSA-N	415.537	5.164	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC=C(c3ccccc3Cl)CC2)c2ccccc21	444273256	MMBDATUMQCXOCS-UHFFFAOYSA-N	403.913	5.528	30	20	HKED	
CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	447057595	QPMACELRXRPNDR-RXVVDRJESA-N	411.571	5.132	30	20	HKED	
CO[C@@H]1CCOc2c(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)cccc21	448049310	OGAJHTYHQZTBJL-HSZRJFAPSA-N	413.477	5.017	30	20	HKED	
Cn1cc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C(F)F)n1	462903359	PRDOESYTSZKBOC-LBPRGKRZSA-N	401.301	5.160	30	20	HKED	
FC(F)(F)C[C@H](NCc1cncc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	463189047	BDSJOLJBGXROQB-AWEZNQCLSA-N	416.287	5.903	30	20	HKED	
C=CC[C@H](C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1	463267130	PTMQPNJGVZJLGO-IBGZPJMESA-N	404.489	5.109	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2c(F)cccc2Sc2ccccc2)c1	463578236	NUPAEVDVDOMCOI-UHFFFAOYSA-N	406.482	5.912	30	20	HKED	
CN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F	463910988	WCSUTBPBVOYJNG-OLZOCXBDSA-N	409.330	5.042	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	466063883	AFQLLVGBNSPGLW-SFHVURJKSA-N	413.521	6.046	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCC(=O)c1ccc(Cl)cc1	471012099	MOAYYCZDOCEDBO-AWEZNQCLSA-N	418.971	5.289	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C	475549011	RONAHPVSODWWCO-QFIPXVFZSA-N	422.960	5.837	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc1	475582073	MJSATTPIUUPNLS-UHFFFAOYSA-N	413.449	5.465	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C	475584418	YRODUGNVBCOBQI-QFIPXVFZSA-N	406.505	5.322	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1OC)c1ccc(F)c(F)c1	483192952	HHWMALKECNMTQC-FCHUYYIVSA-N	412.436	5.272	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)c(F)c1	483448882	RRQPSUCDRQOFJK-UHFFFAOYSA-N	423.419	5.172	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl)c1ccccc1	484156623	GNTIPCRKHZDBLR-INIZCTEOSA-N	413.930	5.020	30	20	HKED	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CCCC#N)c1ccccc1	487619568	RGPQHBPXYVOLKS-QFIPXVFZSA-N	416.525	5.072	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	490594263	YGMUOJMOXXPNSF-UHFFFAOYSA-N	413.861	5.041	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	494028818	TWVYYLXPWRFCJK-HNNXBMFYSA-N	410.499	5.043	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1	500342431	FDAOXJIUUHASTB-GMWXCSQMSA-N	418.537	5.061	30	20	HKED	
N#Cc1cn(CC(=O)c2ccc(C3CCCCC3)cc2)c2ccc(Cl)cc2c1=O	502856868	OKDVGKBOEVXNMZ-UHFFFAOYSA-N	404.897	5.457	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1N1CCCCC1	505313435	GKKFZVWUYCSDOQ-UHFFFAOYSA-N	412.493	5.297	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Cn1ccc2ccccc21	505320002	ISYXAXWUNWLGPG-GOSISDBHSA-N	410.477	5.284	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C	506855946	HORMKVASCJUERQ-UHFFFAOYSA-N	401.514	5.447	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ncc(C(C)(C)C)o1	509900345	RHPLYKIJYXIHEB-UHFFFAOYSA-N	423.326	5.021	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ncc(Cl)cc1Cl	510192302	TZZPINQIMGRANL-UHFFFAOYSA-N	415.305	5.053	30	20	HKED	
N#Cc1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1-c1ccccc1CC2	511090707	DZPXEZOWAMSZLG-UHFFFAOYSA-N	400.837	5.569	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	511372869	UIZDQUKETPWLHE-QFBILLFUSA-N	404.963	5.267	30	20	HKED	
Fc1cccc(F)c1C(F)(F)c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1	511988919	OWMJABZNKPSKJE-CYBMUJFWSA-N	408.248	5.566	30	20	HKED	
Cc1nc2ccccc2cc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	512330385	WTVHGIXFGNVLBK-UHFFFAOYSA-N	409.464	5.397	30	20	HKED	
N#CCCN(Cc1ccccn1)Cc1ccc(-c2ccccc2Br)s1	513736631	HMDVJMBSRFPXAK-UHFFFAOYSA-N	412.356	5.488	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c3c2CCCC3)cc1	519436545	UWODKWXUMPWSGT-GOSISDBHSA-N	412.518	5.159	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1OC	520228673	DIWXOVHMUCRAKV-QGZVFWFLSA-N	408.567	5.851	30	20	HKED	
C=CCn1c(SCc2cc(OC)ccn2)nc2sc(-c3ccccc3)cc2c1=O	520726276	KKOZXNRJZQPJJN-UHFFFAOYSA-N	421.547	5.007	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N(C)C1CCCCC1	520834007	QGGFEGZZICZLDU-AWEZNQCLSA-N	413.509	5.303	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1	520924309	TXGNLLOPKZONBK-KRWDZBQOSA-N	421.566	5.140	30	20	HKED	
CCc1nc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1	522090052	NCPFRDNXZWGKGS-KDOFPFPSSA-N	424.957	5.897	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1(c2nccs2)CCCC1	523927741	NHQDHTRLWNMWHY-UHFFFAOYSA-N	418.522	5.707	30	20	HKED	
C=CCOc1c(Br)cc(CNC2(c3ccccc3F)CC2)cc1OCC	524065173	KAARWJNFHMRSRJ-UHFFFAOYSA-N	420.322	5.331	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	524492390	YECYBBTVNGQDNS-UHFFFAOYSA-N	422.431	5.011	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(C(C)(C)C)cs1	531275780	PROMSCQHLWWVIP-CQSZACIVSA-N	419.641	5.707	30	20	HKED	
COc1ccc(CN[C@@H](c2ccccc2)c2cccc(F)c2)cc1OCCCC#N	532294209	ROKGHJNCDAGHQE-VWLOTQADSA-N	404.485	5.396	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)Sc2ccccc21	533334960	XYAYIJQTFINQFJ-DLBZAZTESA-N	411.596	5.410	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C1CC1	535529699	PDUMNWPLCSNNTI-QGZVFWFLSA-N	414.509	5.434	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1	538617337	NPFYURCWDQFUEC-FYYLOGMGSA-N	421.541	5.161	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Cl)c(C#N)c2)cc1	538685635	GXYSLQABZFVEDR-UHFFFAOYSA-N	403.844	5.065	30	20	HKED	
CCc1cccc(CC)c1NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541086673	GCGDVIVMHLRXQB-LJQANCHMSA-N	411.549	5.639	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4ccc(F)cc4C)n3)n2)cc1	541200236	GMZTXQBQWGROIO-SFHVURJKSA-N	416.481	5.242	30	20	HKED	
CCc1noc(C2CCC(N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)n1	542105111	CZBCUEOHIOTVRK-OXYBSBDGSA-N	400.526	5.548	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nn1[C@@H](C)C1CC1	542386132	KBQLDWKHWIHMOT-KRWDZBQOSA-N	416.550	5.579	30	20	HKED	
COc1cc(CN[C@@H](c2nc(C)cs2)C2CC2)ccc1OCc1cccc(C#N)c1	542549956	AEPAMTKHIJWRNW-HSZRJFAPSA-N	419.550	5.152	30	20	HKED	
CN(C(=O)c1ccccc1-c1ccccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	542566120	PXIJMNRTJNTIPZ-BWKNWUBXSA-N	414.480	5.357	30	20	HKED	
Cc1ccc(C(C)(C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1	546128515	GOHBFTKEPZNONP-UHFFFAOYSA-N	414.509	5.092	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(SCc3ccccc3Cl)cn2)c(Cl)c1	546919979	FAHVCSPWPPTPHT-UHFFFAOYSA-N	415.305	5.200	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(Cc3c[nH]c4cc(F)ccc34)no2)c2ccccc21	547092058	RJRLIWBGHGOMOW-TWGQIWQCSA-N	411.440	5.320	30	20	HKED	
C[C@](O)(C1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)C(F)(F)F	547365412	GCNJTUSBWVOWJY-AWEZNQCLSA-N	423.319	5.250	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	547418895	MERDKKCIGXOOCP-UHFFFAOYSA-N	418.305	5.178	30	20	HKED	
C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[C@@H]1OCCc2sccc21	555835348	WVGLZWNUQUUCLD-HJPURHCSSA-N	418.518	5.087	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C(C)(C)C)cs1	557423074	ZHQIRIPOFHFDNF-OAHLLOKOSA-N	420.538	5.987	30	20	HKED	
C=C(C)COc1cc(CNc2ccc(C(=O)NCC(C)C)c(Cl)c2)ccc1OC	559997450	VZGJYDNXYXLBFN-UHFFFAOYSA-N	416.949	5.301	30	20	HKED	
Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	565274651	FKMNMAQAKXXUEF-JOCHJYFZSA-N	412.493	5.293	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)o1	568559369	CNQZFHLTVGGRCY-UHFFFAOYSA-N	420.774	5.655	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1oc2ccccc2c1COC(C)C	569326460	XMOKFBMQWBYZAM-UHFFFAOYSA-N	409.530	5.354	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(OC)c(OC)c1	569701558	BIHILKUOLWWDFN-DOTOQJQBSA-N	413.543	5.228	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F	576625892	MTMKPBDSKLVNHS-NVXWUHKLSA-N	421.488	5.481	30	20	HKED	
N#CCCC[C@H](NC(=O)NCCOc1cccc(Cl)c1Cl)c1ccccc1	579910480	YLNCAKISALFBGU-KRWDZBQOSA-N	406.313	5.107	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)cc1	588248825	XPPHWBMLCZQOGI-IBGZPJMESA-N	419.447	5.140	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	591840380	ASQDQYIWMFBSDP-SNVBAGLBSA-N	408.317	5.844	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cnn1Cc1ccccc1	592974315	SSYQZKYMRYEVFH-KRWDZBQOSA-N	418.497	5.123	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2cc(F)ccc2s1	592974518	SMGXJALQKBKYDD-HNNXBMFYSA-N	421.478	5.239	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc2ccccc2n1	603835651	DJMMLIBACSHBGS-IBGZPJMESA-N	408.417	5.377	30	20	HKED	
CSc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-]	603846203	CNGBNWNJTNDJJH-NSHDSACASA-N	403.872	5.070	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1	605338749	BTSRCKATLPRNRK-OAHLLOKOSA-N	424.316	5.373	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	609434902	ZGAQABYCUNYWHT-MRXNPFEDSA-N	407.539	6.053	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2cc(F)ccc2[C@H]1C	610017061	AKKJJTZBKDZSLL-QGZVFWFLSA-N	415.468	5.949	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)n1	610040120	IYFNLLKQDZGNAE-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(OCCCC#N)c1	610041613	WJMFLKBTISWAIN-UHFFFAOYSA-N	404.388	5.205	30	20	HKED	
N#Cc1ccc(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)c(F)c1	610174743	ZMBWDIGDSXCEHB-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C	610320023	ODNHVLHVKOJXKB-HSZRJFAPSA-N	412.493	5.731	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(COCCOc2ccccc2)c1)c1cccc(C#N)c1	610321472	ACHCTCMIEKRXAU-IBGZPJMESA-N	415.493	5.037	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(c2cccs2)CC1	610671442	VPBMGKMSQAFWOI-UHFFFAOYSA-N	419.575	5.170	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	611548448	XNHHHWJFDONWOU-MAUKXSAKSA-N	402.416	5.348	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1	612502218	QUAIQAGBQCVMNO-MRXNPFEDSA-N	411.221	5.053	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	616177112	UOMCAOTXMAVWJR-AWEZNQCLSA-N	403.294	5.066	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(SCc2csc(C)n2)cc1	643614024	UKWQBJFVOTXVMB-UHFFFAOYSA-N	400.594	5.634	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674987701	IQRWUSSZUVLLHF-QWRGUYRKSA-N	422.291	5.386	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)NCCc1ccc(Cl)cc1Cl	726483544	SJQQHKYUCOXGBA-UHFFFAOYSA-N	424.353	5.007	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)N[C@@H](C)c2cccs2)cc1	726490276	WWGGPGRGCGIGMT-AWEZNQCLSA-N	409.536	5.468	30	20	HKED	
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S	726802100	SUZCFNCFUSOVCY-GQGRDQOKSA-N	400.569	5.149	30	20	HKED	
C=CCc1cc(CNCc2ccc(-c3nc4ccccc4s3)o2)cc(OC)c1OC	729683419	OHHXQCKTVIPWNC-UHFFFAOYSA-N	420.534	5.592	30	20	HKED	
C=CCN1CCC(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1	729977491	QHHVNPJENQCOOO-UHFFFAOYSA-N	417.525	5.125	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(Cl)nc1	730954532	BLYUCEIIGCULRR-UHFFFAOYSA-N	416.881	5.568	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl	731064206	XIJYSPBJEUDYCR-GFCCVEGCSA-N	423.321	5.041	30	20	HKED	
COc1ccccc1-c1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)no1	731331522	HXCFWYFSQGZRBC-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cnc2ccc(Br)cn12	736411080	YRLCYNWQWQXNJV-VOTSOKGWSA-N	404.333	5.055	30	20	HKED	
O=C(/C=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c(Cl)nc2ccccn12	737448455	HMFDHXJGZTXFJF-RMKNXTFCSA-N	416.790	5.088	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1	741469778	MXBJXJRLBQBICO-ZROIWOOFSA-N	404.462	5.284	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccco1	743294496	LIEZRSAXNAPASO-PKTZIBPZSA-N	416.525	5.140	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1C(F)(F)F	744029528	UWMFUFDFJNSYEK-OCCSQVGLSA-N	408.807	5.200	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCSc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	744075211	SDGHCEWVROJFIL-ZIAGYGMSSA-N	412.486	5.544	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)c(Cl)c1	744517267	VHFTVUGCXAGVLZ-INIZCTEOSA-N	418.880	5.371	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(OC(F)(F)F)cc1	745693995	FRTMCCDXWGOPOL-UHFFFAOYSA-N	407.461	5.312	30	20	HKED	
CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	746660903	VJEDWGOWEXZLEI-LJQANCHMSA-N	424.331	6.313	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1C#N	752306359	XGZZWUPUVOIZGI-UHFFFAOYSA-N	424.482	5.015	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ncc(-c3cccc(F)c3)o2)cc1OC	754275342	ABRUBOJRTKCMRS-UHFFFAOYSA-N	404.825	5.092	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	754532814	DIERJBIDKZOYGA-GXFFZTMASA-N	401.438	5.063	30	20	HKED	
N#CC1CCC(COC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CC1	755977008	NCSDWEVXCDWQGB-UHFFFAOYSA-N	408.445	5.245	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NC2(c3c(Cl)cccc3Cl)CC2)c1	760170984	OLTAXBLGOPOOGC-OAHLLOKOSA-N	418.324	5.163	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cc(Br)ccc2F)cc1OC(F)F	763121351	DSAIGRPFBKMVPR-KXFIGUGUSA-N	401.178	5.094	30	20	HKED	
CC(C)(C)n1ncc2c(O)nc(NN=CCCCc3ccc(Cl)c(Cl)c3)nc21	768778278	YYGUFECEQUWIAD-UHFFFAOYSA-N	421.332	5.014	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)c1ccccc1	773074900	IQYGIMKCBKYYAK-CRAIPNDOSA-N	409.498	5.050	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(N2CCCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1	777311611	FFUSRPXGMDHRHS-KRWDZBQOSA-N	423.488	5.569	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNc1cccc(OCC#N)c1	779586501	XRIBRHDRALTZPA-UHFFFAOYSA-N	401.297	5.061	30	20	HKED	
Cc1oc2c(CN3CCC(C)(C#N)CC3)c(O)ccc2c(=O)c1-c1ccccc1Cl	779879601	OJPASZAVXYYSPU-UHFFFAOYSA-N	422.912	5.253	30	20	HKED	
COc1cccc(NC(=O)/C(=C\c2ccc3cnccc3c2)C(=O)c2ccccc2)c1	782306519	MORQITKMISTUMR-IWIPYMOSSA-N	408.457	5.148	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(OCC2CC2)cc1	790148027	PJSQUBJKKLVBSU-UHFFFAOYSA-N	415.518	5.104	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12	790667947	HINYHNBRBQWSOA-KRWDZBQOSA-N	424.529	5.943	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cc(Cl)ccc3C2)cc1	792227748	CBWLUHNBVSIBRH-QHCPKHFHSA-N	401.897	5.586	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Cc2cncc3ccccc23)cc1	805855657	LQEXJVMNMATHQJ-HOOSLVGPSA-N	413.521	5.274	30	20	HKED	
Oc1nc(NN=Cc2sc(Sc3ccccc3)nc2Cl)nc2ccccc12	814868899	MKNDLSVZRMAGRC-UHFFFAOYSA-N	413.915	5.043	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915085261	JNKZDZNJFNPVEZ-VEYWIMSWSA-N	409.489	5.189	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1	915086570	LGEFZKUGHPABMA-VWLOTQADSA-N	406.489	5.099	30	20	HKED	
COc1ccc(C(C)=NNc2cccc3ncccc23)cc1CSc1ncccn1	915964621	GENMITFDWXIJJM-UHFFFAOYSA-N	415.522	5.162	30	20	HKED	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@H](C#N)c1ccc2ccccc2n1	916849430	UQZXSLWBXIMIBI-GOSISDBHSA-N	413.546	6.070	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2cccs2)nc1C	916903497	OTHUZTVRXWHEQX-INIZCTEOSA-N	423.563	5.266	30	20	HKED	
Cc1cc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1C(C)C	917039591	APCBIKGOBDBDSQ-MAUKXSAKSA-N	411.452	5.507	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C(C)C)cc2)cs1	917560353	WQOSVSWGQFMALJ-JLHYYAGUSA-N	424.953	6.501	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3cc(C)ccc3C2=O)cs1	921269102	JJZWGSIFXGBHTO-LFIBNONCSA-N	408.910	5.612	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1	1792377942	RFVQOSDEGSLMET-DEOSSOPVSA-N	414.496	5.060	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C)c(F)c2)cc1	11083080	KDFFOAPPKSTYIU-UHFFFAOYSA-O	421.561	5.652	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Cl)cc(Cl)c3)s2)cc1	14621473	AQLKYRLEZJKCOS-UHFFFAOYSA-N	421.334	5.261	30	20	HKED	
Cc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-]	16408889	IBUWIQYOSKYQFG-VAWYXSNFSA-N	424.460	5.106	30	20	HKED	
CCOCc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	30480109	UQXAUVNDHSEWKO-UHFFFAOYSA-N	402.519	5.176	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	41558076	RGNYCHAGDKDXRH-CQSZACIVSA-N	408.433	5.353	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2ccccc12	64714985	ZRPOFHGUWCDLEP-ZDUSSCGKSA-N	424.428	5.471	30	20	HKED	
O/C(Cc1csc(-c2ccccc2)n1)=N\c1nc(-c2cccc3ccccc23)n[nH]1	65514907	HLHHSECOOASWOC-UHFFFAOYSA-N	411.490	5.579	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCc1ccc(Br)s1	97169150	JWGHHQIUEJLESR-UHFFFAOYSA-N	405.361	5.142	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	221700623	DOIWXEISSVSGMO-FJVVXJACSA-N	421.934	5.963	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c(F)c1	229910091	WLFQMTBICCBVJA-XFXZXTDPSA-N	409.844	5.636	30	20	HKED	
CCc1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12	303223972	VQWWOCQSUYVRTN-HNNXBMFYSA-N	408.870	5.052	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1	303427526	ZYRDYPFGKPTRNJ-HNNXBMFYSA-N	421.488	5.028	30	20	HKED	
O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303687460	OGPZNQFFSLRRFF-NEPJUHHUSA-N	419.287	5.152	30	20	HKED	
Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)sc2ccc(F)cc12	410041682	BINJEGSXYWOTPB-UHFFFAOYSA-N	407.495	5.520	30	20	HKED	
CC[C@H](C)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	429722512	IPVFHZNFGWUBPJ-YWZLYKJASA-N	401.491	5.349	30	20	HKED	
CC(C)c1c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cnn1-c1ccccc1	430184756	GUUDVSBBNSSVSS-UHFFFAOYSA-N	424.508	5.025	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccccc1Cl	430628909	PDYDRXOLJDMABJ-QFIPXVFZSA-N	422.937	5.484	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F)c1ccccc1	431462129	YIEBCAQZXHZVHH-WOJBJXKFSA-N	403.448	5.284	30	20	HKED	
C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N([C@H](CCCC#N)c2ccccc2)C1=O	432025074	HMERLTZVUCFDSX-WIYYLYMNSA-N	416.308	5.196	30	20	HKED	
Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(OC[C@@H]2CCCO2)c1	432760403	UEYZDFIJPOCLGR-LEWJYISDSA-N	407.514	5.110	30	20	HKED	
N#CCCC[C@@H](NCc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1	433017927	BSDWWYHVIAUIHM-OAQYLSRUSA-N	421.342	5.431	30	20	HKED	
Cc1ccc(NC(=O)N(C)C)cc1NCc1cccc(OCc2ccccc2C#N)c1	435749651	KUNUMBJSXSDDAA-UHFFFAOYSA-N	414.509	5.151	30	20	HKED	
CC(C)(C#N)CCCCSCc1nc(-c2cc(Br)cs2)no1	435887168	AHEZEKGRLOWAIP-UHFFFAOYSA-N	400.367	5.514	30	20	HKED	
C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437730680	CPCCSJHKHMPRLQ-HXOBKFHXSA-N	415.924	5.974	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(COCc2ccccc2)cc1	438374185	DYJMOCPEJHHKEE-UHFFFAOYSA-N	400.522	5.666	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccccc1	440253616	IJRFWHSTRGRSQB-RUZDIDTESA-N	410.521	5.468	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	462175706	MMBCFCBKZXAXOV-ZIAGYGMSSA-N	409.942	5.625	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c12	464467800	LQGFEMFCYGEATG-AWEZNQCLSA-N	414.387	5.127	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1c(F)cccc1Cl	466198957	CWYNUVZQQNSLHW-UHFFFAOYSA-N	401.913	5.249	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(SCc3ccccc3)cc2)CCC[C@]12CCCCO2	468646300	WYKSRERDCQONOS-ISKFKSNPSA-N	406.551	5.046	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470539445	XZOAXWXZQZJFAB-INIZCTEOSA-N	424.932	5.148	30	20	HKED	
COc1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC	472135062	TXZHLDUNQQSXRF-UHFFFAOYSA-N	411.273	5.133	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccccc2NCc2ccc(Cl)cc2)cc1	472520757	RIODOMQCUPJQTF-FQEVSTJZSA-N	414.896	5.145	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC([C@H]3CCCO3)CC2)c1	474532913	GBGJAMFTLZRYQY-OAQYLSRUSA-N	410.901	5.035	30	20	HKED	
CN(C)CCc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	474615859	HRPOSDAASZQRBA-UHFFFAOYSA-N	419.912	5.360	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	475567483	XMYRPOFMQJQDRZ-NRFANRHFSA-N	405.586	5.667	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccccc1	475897085	GXSFGCVEDVMILD-IBGZPJMESA-N	413.506	5.022	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c(F)c1	476937615	GGMZBOZGUQEARB-UHFFFAOYSA-N	409.339	5.231	30	20	HKED	
C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	480154154	PONNZFUWSBEDDX-HNNXBMFYSA-N	406.873	5.624	30	20	HKED	
C=C(C)[C@H](NCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccc(F)c(F)c1	481589267	ZMMFXOQNTYLQEC-NRFANRHFSA-N	422.435	5.385	30	20	HKED	
Cc1onc(CC(=O)N[C@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c1C#N	482129475	CDOJCDGHGDTQGR-LLVKDONJSA-N	419.428	5.022	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1	483238977	DOQUYYOPNMTZPR-XMMPIXPASA-N	403.441	5.176	30	20	HKED	
Cc1cc(C)c(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)o2)c(C)c1	483273239	VUZUYANLBWASJU-GOSISDBHSA-N	420.538	5.089	30	20	HKED	
CC(C)(C#N)CC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	486543093	WADWKIQAQLWAOE-UHFFFAOYSA-N	409.873	5.452	30	20	HKED	
N#CCCN(C(=O)c1cnc(Cc2ccccc2F)s1)C12CC3CC(CC(C3)C1)C2	486573138	RFLQUNUIRIFURG-UHFFFAOYSA-N	423.557	5.198	30	20	HKED	
N#CCCC[C@H](NC(=O)CCCOc1cccc(Br)c1)c1ccccc1	487591972	HYNQTEPCFDEGSD-FQEVSTJZSA-N	415.331	5.159	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	488272903	ODJKILVDXUCJHN-XZOQPEGZSA-N	403.526	5.236	30	20	HKED	
COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	488332213	NFAOGRIYADASAB-HNAYVOBHSA-N	417.962	5.586	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	504972457	GRRVOEZHBGUKKI-QHCPKHFHSA-N	405.929	5.417	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccccc2OC(C)C)cc1	505702796	GAQMFDCSWCAAHV-UHFFFAOYSA-N	416.477	5.328	30	20	HKED	
C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1	507646828	LRIWVZZHIBOZMR-OPYAIIAOSA-N	421.566	5.019	30	20	HKED	
CCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)[C@H](C)c1ccc(C#N)cc1	510138922	FVSJOSMUSABWEX-CQSZACIVSA-N	413.308	5.274	30	20	HKED	
CCN(C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)c1ccc(C#N)cc1	510388817	JWBPNJQIRJNTTC-UHFFFAOYSA-N	400.404	5.174	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	510888011	OBDPTEIZDYOWAD-SFHVURJKSA-N	415.493	5.893	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1	511372527	IUMYOQRESRUQOL-SZKNBXHCSA-N	415.537	5.278	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1)c1ccc(F)c(F)c1	511869460	XJJRQWCYEGLOFT-IRXDYDNUSA-N	402.407	5.346	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](C)c1ccc(C#N)cc1	512109203	WFSWMNQRZJXYAN-QWHCGFSZSA-N	409.839	5.298	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)c1	513289659	QQBIBURZRZUWGU-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=CC1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)CC1	517656843	AMXFUQJVPAOPNP-UHFFFAOYSA-N	400.316	5.066	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@H](c3ccco3)N3CCCCC3)c2)c1	518771704	QHCKWVULZXBFCM-RUZDIDTESA-N	415.537	5.047	30	20	HKED	
Cc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1	519988999	WKXQXIHHOJAKEZ-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1c(F)cccc1F	522326843	ZWOKDLBYCYZNQX-MRXNPFEDSA-N	423.438	5.449	30	20	HKED	
C=CCn1c(SCc2ccn(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1	522763225	GDDOVHIJNRUKCU-UHFFFAOYSA-N	407.930	5.263	30	20	HKED	
CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1)C1CC1	523230326	XRBWUIHMVLTTGK-QFIPXVFZSA-N	415.562	5.593	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1	524940690	FVLAHDIKNDRAMI-UHFFFAOYSA-N	401.466	5.304	30	20	HKED	
N#CCc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)c1	525549506	LKZHQZWGCLFEHL-UHFFFAOYSA-N	400.372	5.381	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2ccoc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3	534104362	WNXLRHKUWJXOKX-QGZVFWFLSA-N	415.474	5.026	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1	534733886	XYAPOOZCQNSICY-MAUKXSAKSA-N	415.946	5.419	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccccc1	535430789	AJIXRQMQZNKQEJ-HNNXBMFYSA-N	424.298	5.330	30	20	HKED	
CCC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)c(Cl)c1	539255849	REIBIZCXDWDZCZ-SFHVURJKSA-N	401.297	5.546	30	20	HKED	
Cc1cc(NC(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)nn1CCC#N	539719262	AWWGZYIQULTMJW-UHFFFAOYSA-N	418.328	5.123	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(C)o2)nnc1-c1ccc(Br)cc1	539998555	HHCFTUOYGOINHU-LBPRGKRZSA-N	405.321	5.043	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCCOc4cc(F)ccc43)c2)c1	540734685	SBYOMTSTNROWEU-DEOSSOPVSA-N	402.469	5.280	30	20	HKED	
CCOc1ccc([C@H](NC(=O)N2CCC(CC#N)CC2)c2cccc(Cl)c2)cc1	541945738	VRZLMOYKAGEOBU-QFIPXVFZSA-N	411.933	5.163	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543943466	KMLBBXOXZQBMMF-NVXWUHKLSA-N	418.566	5.762	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)c2c(C#N)cnc3c(Cl)cc(C)cc23)cs1	549256979	SKBPAVRCJIEVJD-ZDUSSCGKSA-N	400.935	5.259	30	20	HKED	
C=CCCCN(C)c1nnc([C@H](C)Oc2ccc3ccccc3c2)n1C[C@H]1CCOC1	549641693	SCVZYBLADHGMCP-VQTJNVASSA-N	420.557	5.010	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	554460912	SRGBTBJNRSCTCE-LLVKDONJSA-N	424.492	5.007	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F	554763672	HLKYTCSYZZDOQQ-HNNXBMFYSA-N	405.420	5.330	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl	557506463	OIXIMHZTHUJQMM-LBPRGKRZSA-N	423.763	6.058	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1C	557984188	RGGIASMMVKXTPW-UHFFFAOYSA-N	400.478	5.731	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21	561158273	CIOWGYNMAQWDLQ-INIZCTEOSA-N	400.503	5.815	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC(C)(C)CCC#N	561730420	AOLCCNSEEQQJGN-CQSZACIVSA-N	405.951	5.063	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc2ccccc12	562199156	HMGIKUJLSWJVJS-QGZVFWFLSA-N	417.484	5.165	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@@H]1c1ccccc1	564431354	BSWZFDKAALIQIK-UUOWRZLLSA-N	412.493	5.403	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1C#N	570699571	GZJAXBKXCHENIP-REPLKXPHSA-N	403.551	5.103	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1ccccn1	582978737	TURNJMJEAQGBEG-IBGZPJMESA-N	413.525	5.179	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cs2)cc1	604468218	YZMHMSWVXYEXCA-CQSZACIVSA-N	407.564	5.358	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(-c3ccccn3)s2)sc2c1-c1ccccc1CC2	609011011	QWEDFXMEYPOQGX-UHFFFAOYSA-N	414.515	5.156	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609061488	SRBAERRSJJDHJR-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)c(C#N)c1	609102515	GSALQOYYMNVFLC-GFCCVEGCSA-N	415.877	5.266	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCc3cc4ccccc4o3)cc2F)c1	609123713	KJLRJWHBHCIGSN-UHFFFAOYSA-N	415.424	5.344	30	20	HKED	
N#C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1	609174353	LYPVOQKCAOVYEC-JOCHJYFZSA-N	424.422	5.208	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)s1	609644039	GZWUILUIGAHJES-INIZCTEOSA-N	405.523	5.044	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	609982130	ACOWRBGNBPWXIR-OAQYLSRUSA-N	412.489	5.183	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	616089780	GAMDNFDVYWFAPR-NDBYEHHHSA-N	414.365	5.438	30	20	HKED	
C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1OC(F)F	675739220	WFAXNFWLHFCMOX-GUBZILKMSA-N	423.319	5.987	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1ccsc1)c1nc2cc(C(F)(F)F)ccc2s1	682012856	URSZZBNHDDJUJK-NSHDSACASA-N	418.425	5.257	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1	729347146	NAKQRWCCMKLFSC-QFIPXVFZSA-N	421.541	5.288	30	20	HKED	
N#CCc1cccc(C(=O)O[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1	731993458	AWDYZPIVSRBUHX-MRXNPFEDSA-N	412.205	5.366	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	732644536	VXGLAMOXZNKKDF-DEOSSOPVSA-N	403.522	5.349	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c1	733787764	WSFNPPASVDLNKI-AWEZNQCLSA-N	402.281	5.086	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C)c1ccncc1	734672797	XZXICWUBIVVRPJ-OXJNMPFZSA-N	422.554	5.200	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2[C@@H](CC)c2ccccc2)c1=S	746713234	STJFHVOXLOZCLY-VXKWHMMOSA-N	419.598	5.278	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)n1	747193082	DMDFRBHXHCJUFA-RXVVDRJESA-N	410.539	6.115	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(F)cc1F	748294929	AWSVPUMJMNPAOA-UHFFFAOYSA-N	423.444	5.198	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)CSc2nc3cc(C(F)(F)F)ccc3s2)n1	753852571	VODBWOATEMYCKM-SNVBAGLBSA-N	413.471	5.049	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@@H](c2ccsc2)O1	760007428	KIMMRRFXXSRICS-ZQMYSKGWSA-N	417.534	5.397	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F	763423784	LQRYDYZSZYASCR-UHFFFAOYSA-N	409.348	5.098	30	20	HKED	
O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ncccc1C(F)(F)F	764903409	OBJNVWOKIWWEHB-UHFFFAOYSA-N	421.190	5.033	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1	766409552	WWVJNDBRHTUKIS-HSALFYBXSA-N	406.407	5.502	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2cccc(F)c2)cc1	767130992	OQVJHKSVLBKSDC-UHFFFAOYSA-N	418.497	5.143	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1CN(C)C1CCCCC1	780681901	RTTVWGJFYABDQH-LJQANCHMSA-N	420.557	5.064	30	20	HKED	
CC[C@@H](CC#N)OC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12	787087006	WRJFOLIWYKWLFK-AWEZNQCLSA-N	403.360	5.066	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nccc2ccccc12	792101566	BAWMREZPGAGYQT-ZCNNSNEGSA-N	409.514	5.771	30	20	HKED	
CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)cc1OCC#N	792540059	XXRMJPCCBLYKGL-UHFFFAOYSA-N	411.260	5.079	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCc3cc(Br)ccc3C2=O)cn1	792904319	FFNKAUSRQSODAZ-YBEGLDIGSA-N	421.294	5.127	30	20	HKED	
CCCNc1ccc(C#N)cc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1	795267206	VXJBKKCDHZTWEV-UHFFFAOYSA-N	401.392	5.061	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3SC(F)(F)F)CC2)c(F)c1	795926248	DHXCQIKIWSGGKK-UHFFFAOYSA-N	423.435	5.164	30	20	HKED	
CC(/C=C/C(=O)c1cccc(N2CCOC2=O)c1)=C\c1ccccc1C(F)(F)F	799893584	SOWXNJCZUXRIIW-PANOFWHVSA-N	401.384	5.504	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CC(C)(C)O2	810176671	ZRFHRWAKFRMVFO-FQEVSTJZSA-N	407.514	5.297	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c1	811722692	ODBUTIVMHXBKSE-OAQYLSRUSA-N	423.582	5.001	30	20	HKED	
CN(C)C(=O)Sc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	811777750	GXJMAFPELHYPPA-UHFFFAOYSA-N	404.495	5.131	30	20	HKED	
CCOc1ccc([C@@H](O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)cc1	812483073	VQGMVQJDZPLXDT-XMMPIXPASA-N	421.928	5.109	30	20	HKED	
COc1cccc(-c2nc(CON=Cc3cc(Cl)c(OC)c(OC)c3)cs2)c1	836715431	GKYZWNZVRUQQQZ-UHFFFAOYSA-N	418.902	5.040	30	20	HKED	
O=C(/C=C\c1cnn(Cc2ccccc2Cl)c1)c1sccc1Br	915114579	NROYKBCBSPITKH-WAYWQWQTSA-N	407.720	5.305	30	20	HKED	
N#Cc1ccc(CSCC(=O)Oc2ccccc2-c2nc3ccccc3s2)cc1	915820580	MSOXZSVQTIOUPM-UHFFFAOYSA-N	416.527	5.674	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)s1	916902998	JVEHOJYJWCCRJZ-LJQANCHMSA-N	420.509	5.640	30	20	HKED	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917040264	JDTKPMZQIDIZLP-YOEHRIQHSA-N	411.452	5.373	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(OC(F)F)cc3)n2)cc1	920142529	QFEUGGDCYSBCHY-SFHVURJKSA-N	423.444	5.092	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3F)n2)cc1	920792462	QZQRVZVZMOQZRR-KSSFIOAISA-N	421.497	5.424	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920804295	OJNMUMUNXCSKRB-CYBMUJFWSA-N	418.852	5.169	30	20	HKED	
Cc1cccc(C2(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCC2)c1	920805769	FUUCZWCSDWDMFW-MRXNPFEDSA-N	408.473	5.695	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC)c(Cl)c4)CCC3)cc2)C1	1785809114	REJPAXCGBCGRTM-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCS3)cc2)CCC1	1792011130	IGAJEMMOOLHZMF-LJQANCHMSA-N	400.588	5.009	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCCCC3(F)F)C2)CC1	1806201174	HGMOJJRMVGRDSS-IBGZPJMESA-N	424.576	5.036	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831448016	CGXPMIFIDBISHA-HMXCVIKNSA-N	424.576	5.034	30	20	HKED	
C=CCn1c(SC[C@@H]2CCCCO2)nc2scc(-c3cccs3)c2c1=O	6397510	VJRWJMOAGKHHTQ-ZDUSSCGKSA-N	404.582	5.034	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(O)c2)c1	22729639	OZNTULDOYNTZLY-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(C)c2)cc1	22730992	UMRSRXDMKOPCSP-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1C1CC1	22988032	FGRFCHPNONFKRR-NSHDSACASA-N	421.448	5.264	30	20	HKED	
C[C@H](c1cccs1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161674	DVFZIXMVAAZTOZ-QGZVFWFLSA-N	405.523	5.618	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1Cl	63337314	LLCNLHLTFBHRBF-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
COc1cccc([C@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)c1	108848042	DDNJVLMTSTXUOV-RUZDIDTESA-N	412.489	5.123	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc(NC(=O)c2cccnc2)cc1	301434247	WITTXODLXRBXBP-UHFFFAOYSA-N	413.868	5.019	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1F	303323985	IFLQWAHKUPWBRJ-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1	303534400	XFYQQGCAGVCVNY-UHFFFAOYSA-N	416.506	5.122	30	20	HKED	
COc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1C(F)(F)F	426921626	SMGTXGUWYNHVHQ-UHFFFAOYSA-N	401.388	5.225	30	20	HKED	
C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438664818	NAACKCZSSABGIB-MRXNPFEDSA-N	401.441	5.468	30	20	HKED	
C[C@H](Sc1nnc(S[C@@H](C)c2cccc(C#N)c2)n1C)c1cccc(C#N)c1	442895743	BERSEPRHIARGKL-GJZGRUSLSA-N	405.552	5.265	30	20	HKED	
CN(C(=O)c1cccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1)c1ccccc1	443886782	UKOWUMWWJHSCPO-UHFFFAOYSA-N	423.394	5.106	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C	448353655	YWVRHYGMAYWBOK-UHFFFAOYSA-N	407.449	5.439	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CCOCC2)[C@H]1C	460371689	CDUYHEZNYOAKJL-LEWJYISDSA-N	424.589	5.006	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(C(C)C)cc1	460552966	BCBOBOAGWPZRSS-HSZRJFAPSA-N	401.558	5.305	30	20	HKED	
COc1cccc(F)c1[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	461249681	AQSQVVOVTPAPFC-INIZCTEOSA-N	420.509	5.489	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1cccc(C#N)c1	463577018	LADCYTPRYBZOKY-MRXNPFEDSA-N	417.896	5.230	30	20	HKED	
N#C[C@H](C(=O)c1cc2sc3ccccc3c2s1)c1cc(C(F)(F)F)ccn1	464428966	VAUOSAPYLHQCHP-LBPRGKRZSA-N	402.422	6.020	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1F	464645999	GNRAVOAUTIKISO-UHFFFAOYSA-N	404.228	5.230	30	20	HKED	
CCO[C@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C12CCCC2	464872258	HXZAYVOZSPRAKJ-YADHBBJMSA-N	406.551	5.177	30	20	HKED	
C=C[C@@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1	465151113	YZCVYYSCYOJWBR-GFCCVEGCSA-N	409.338	5.029	30	20	HKED	
Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	465262070	HLGUOYNQULOPBN-CQSZACIVSA-N	405.470	5.170	30	20	HKED	
C=CCCO[C@H](C)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466919008	XCBJFOYQHXNVCS-GXTWGEPZSA-N	423.376	5.039	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1OC	467480929	LHIZQTAFQKFXGD-NRFANRHFSA-N	419.525	5.168	30	20	HKED	
Cc1ccccc1-c1noc([C@@H](C)SCC(=O)Nc2cc(Cl)ccc2C#N)n1	476191607	MMSJCQTWNRDDLJ-CYBMUJFWSA-N	412.902	5.003	30	20	HKED	
CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CC2	476227874	VQUUSGFEMIYHOZ-HNNXBMFYSA-N	418.472	5.080	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)Cc1ccc(Br)s1)c1ccc(F)c(F)c1	477738494	IIWOZVVGRVUVMT-MRXNPFEDSA-N	415.303	5.248	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1	480463923	AWIPGLURSOUYHX-QGZVFWFLSA-N	406.935	5.179	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)o1	481270793	BFXIKHZRTXDADS-YWZLYKJASA-N	421.476	5.044	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOC3(CCCC3)C2)cc1Cl	483046615	FCVQRVJTBZPONE-HXUWFJFHSA-N	409.917	5.172	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	486463610	DHZQOYFXAFADBB-KRWDZBQOSA-N	423.513	5.174	30	20	HKED	
C=CCC[C@H](C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)c1ccccc1	490266646	CWZWDWRHLFBXOC-DQEYMECFSA-N	418.581	5.037	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1	501939535	PUYCKQLWCWVOMM-AWEZNQCLSA-N	420.273	5.072	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)nn1-c1cccc(C#N)c1	503082220	AFJHWGZCTQPUAA-LJQANCHMSA-N	422.488	5.445	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1cccc(Cl)c1Cl	505337735	LQGYRSCFBXXDLZ-CYBMUJFWSA-N	408.335	5.102	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1	505531857	GYTIVLBWXLLKHW-INIZCTEOSA-N	422.287	5.112	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1F	505832611	MBDOGNTZTFGJKK-OAQYLSRUSA-N	409.505	5.102	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)CC1	506919127	USHKPIBIILRENJ-UHFFFAOYSA-N	404.445	5.324	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1	508991469	QQRKVADZKUIUGT-UHFFFAOYSA-N	409.445	5.408	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3Oc3ccncc3)cc2)c1	509499454	GWJGIDJXBDVISW-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C=C(C)CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cnn(C(C)C)c1	512506328	KAFZVPCOJXHNJC-UHFFFAOYSA-N	402.542	5.295	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCCN(C2CCC2)C1	512913693	WXAWNJAXBQMVEI-UYAOXDASSA-N	418.541	5.125	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](C[C@H]3CCOC3)c3ccccc3)c2)c1	513526272	NTGKBDIJZHONOY-SQHAQQRYSA-N	412.533	5.395	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CSc3ccccc3Cl)c2)c1	515447093	PEHZFZSGELALKB-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1cccc(OCC(F)(F)F)c1	517940634	ZVLXNEYYBXYAQB-UHFFFAOYSA-N	414.836	5.025	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc([N+](=O)[O-])c1	520196788	BYNYTYNBKLYNOM-OAHLLOKOSA-N	402.410	5.141	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOc1cccc(Cl)c1Cl	521810626	WQQGNDDILSESEM-ZDUSSCGKSA-N	424.353	5.588	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nc(C(F)(F)F)cs2)cc1	524623113	ZZXJIDPNANIKCT-UHFFFAOYSA-N	418.400	5.148	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)cc2F)c1	525032318	ZFAZWEOUKSHWKJ-RTBURBONSA-N	422.406	5.297	30	20	HKED	
CCn1c(-c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2cc(C#N)ccc21	534628891	VLWPYXLWKIHKGT-UHFFFAOYSA-N	415.522	5.353	30	20	HKED	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	536568065	YOAFEAGHUNYGTF-WAIKUNEKSA-N	420.509	5.355	30	20	HKED	
C=CCC[C@@H](CCC)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1	540188132	PYXXJSQLENAUIX-XMSQKQJNSA-N	407.526	5.182	30	20	HKED	
CC(C)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	543872589	DCVSEBYWGBLDMF-LJQANCHMSA-N	418.562	5.258	30	20	HKED	
CC(C)(C)c1nc(Cc2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cs1	545799517	GXVBOXWJOOOVBY-UHFFFAOYSA-N	417.494	5.140	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(CSc4ccc(F)cc4)no3)cc2)nc1	546229052	BYWIEDOCSSIDBG-UHFFFAOYSA-N	404.426	5.227	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	549092536	XANFKJBVCNVHOK-UHFFFAOYSA-N	413.521	5.753	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CSc3ccc4ccccc4c3)CC2)c(F)c1	552343115	VZOVIZGKAMUMRU-UHFFFAOYSA-N	420.509	5.013	30	20	HKED	
Cc1csc(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1C#N	554774446	KZRKBIUVJQIEAA-UHFFFAOYSA-N	408.266	5.054	30	20	HKED	
CC(C)n1cc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)nn1	557646007	IJQVDCWFVDTPPS-UHFFFAOYSA-N	401.392	5.154	30	20	HKED	
N#C[C@H](NC(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(OC(F)(F)F)cc1	562412771	DGWPVMNHDMAVAZ-ZDUSSCGKSA-N	407.150	5.026	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(CN2CCCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	572790539	GKSXUKNVLQUPEN-FQEVSTJZSA-N	421.953	5.549	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1	576032393	JTOLMFSTEFDIDA-KBPBESRZSA-N	407.461	5.840	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccccc3CC#N)c2)cc1	579521002	QLQJUBKUUNBIMI-UHFFFAOYSA-N	412.489	5.106	30	20	HKED	
Cc1c(C(=O)NCc2cccc(COCc3ccco3)c2)sc2ccc(C#N)cc12	589981312	VKMZRWMHYVBNNW-UHFFFAOYSA-N	416.502	5.321	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	591493642	YUUHVGWFBXXHCU-UHFFFAOYSA-N	405.420	5.388	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1	609020707	SFTRHNGKQUCAKE-UHFFFAOYSA-N	416.525	5.204	30	20	HKED	
CCC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccn1	609213469	MSGCHOPNNQEJGG-XMMPIXPASA-N	416.500	5.346	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	609304733	QOXWEIMTZXRGLD-AWEZNQCLSA-N	417.465	5.380	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(C(F)(F)F)cc1	609433105	UGICPSGEVHQAQB-CQSZACIVSA-N	407.461	5.464	30	20	HKED	
N#Cc1cccc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1	609464545	MYSDTCRTXFGPBV-RUZDIDTESA-N	416.569	5.247	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	609504861	HSNLTKXGVZMOEV-QGZVFWFLSA-N	417.534	5.737	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)N1CCC(Cc2ccccc2)CC1	609521616	LBAZMUUQRKIRFU-UXHICEINSA-N	421.610	5.220	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1oc2ccccc2c1CSc1cccs1	609815944	BLSMGLAWHZVDFF-UHFFFAOYSA-N	412.580	6.189	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)c2)cc1	609930466	IXVLTFDKECAHIX-RUZDIDTESA-N	420.472	5.657	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)CNc2ccc(C#N)cc2)nc1-c1ccccc1	610115593	SQEDGUALWFNYRO-NRFANRHFSA-N	414.509	5.112	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl	610146313	MYODOWOJWULEQA-QFIPXVFZSA-N	424.331	5.796	30	20	HKED	
COc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1OCc1ccc(F)cc1	610972003	BBGQFZHLBMLWHN-UHFFFAOYSA-N	402.469	5.064	30	20	HKED	
FC(F)(F)COc1cccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	618447882	FTFONICOLUWYKV-VXGBXAGGSA-N	409.292	5.190	30	20	HKED	
Fc1ccccc1-c1ccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1	642198134	YRHSPZYCCAHZTJ-ITGUQSILSA-N	409.345	6.085	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1	730989670	MOFJDCAAYZZYCO-OAHLLOKOSA-N	414.621	6.059	30	20	HKED	
Cc1ccc(Oc2ccc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)nc1	733323712	NVWKIJQHHXRUAP-HNNXBMFYSA-N	418.522	5.043	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)C)c2ccccc2C)ccc1OC	733649736	DCDSHALPOAXLTB-RBBKRZOGSA-N	423.557	5.271	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1Oc1ccncc1	734705990	ZIEDYEHVOYUKJO-QFIPXVFZSA-N	421.456	5.297	30	20	HKED	
C/C(=C/C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	735264166	RPLNRLTYLIHGGS-NTMALXAHSA-N	419.287	5.452	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccccc1-c1ccc(Cl)cc1	739778639	ILHLTNKQJNSIDX-MRXNPFEDSA-N	406.938	6.114	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Cc3ccccc3)C(C)C)n2)cc1	740542324	PWZMTXOIJQOEQU-RTWAWAEBSA-N	404.535	5.510	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2ccc(OCCC(=O)O)cc2)cc1	741469208	KOWODZKHFSKRPH-NVNXTCNLSA-N	402.446	5.112	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc(Br)c1O	741474847	ZWCXPRBWSOEELM-WAYWQWQTSA-N	410.267	5.121	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc3c(c2)CCO3)c2cc(Cl)ccc2Cl)cc1	742263102	SDZKDCAPLSXRMW-HSZRJFAPSA-N	409.316	5.679	30	20	HKED	
COc1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1C#N	743282370	LQXDQXBQJSFEDI-JAIQZWGSSA-N	402.500	5.126	30	20	HKED	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccc(-c2ccncc2)cc1	745989881	FDQHHRALHXNFOA-OUKQBFOZSA-N	423.472	5.007	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3c(C)nn(C(C)C)c3C)c2)cc1	746346502	QPTKMEZKISQGAB-ZROIWOOFSA-N	417.509	5.238	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Oc2ccccc2Oc2ccccn2)cc1OC	748678218	KQPKCXOKAOLSOC-OWBHPGMISA-N	403.434	5.066	30	20	HKED	
C[C@@H](ON=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F	749351926	GNTUEJRKDHXQBY-LLVKDONJSA-N	404.310	5.102	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)Oc3ccc(C#N)cc3OCC)cs2)cc1	749786788	XKNPSMJNDDRLCF-UHFFFAOYSA-N	408.479	5.088	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3ccc(C)cc3C2=O)cs1	753901214	YVZJKHMGCBWZHQ-ATVHPVEESA-N	422.937	6.002	30	20	HKED	
C[C@H](C#N)CN(C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)C1CC1	754176045	XFZPICHBMVTKIV-OAHLLOKOSA-N	412.518	5.276	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(Br)cc2SC)cc1NC(C)=O	755698874	JHFVMBPQOFKBIP-VMPITWQZSA-N	420.328	5.034	30	20	HKED	
COC(=O)c1ccccc1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	759213858	WQWSJNVDMFGBRT-GOSISDBHSA-N	424.909	5.059	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nnc(-c4ccccc4)o3)cc2Cl)c1	760455228	MSSAJTLSEGDSIW-UHFFFAOYSA-N	416.868	5.453	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(C)c2ccc3ccccc3c2)nnc1-c1ccco1	764680111	ZWGSHBKZFBPFTG-UHFFFAOYSA-N	418.522	5.023	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)C1CCCCC1	767041611	ASYYGIPGQDGLHB-MRXNPFEDSA-N	402.560	5.169	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(F)F)ccc2Cl)ccc1OC	769012732	VLHHZZYISPHATI-CQSZACIVSA-N	423.847	5.289	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1	780979481	DLDMMIQWSHBTQV-FQEVSTJZSA-N	402.539	5.004	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2ccc(Br)c(Br)c2)c(F)c1	781110527	GSDKCSLDGZYNSG-UTCJRWHESA-N	409.052	5.118	30	20	HKED	
CCc1c(C)sc(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)c1C#N	790903462	GHGJFHRLYCVQTQ-UHFFFAOYSA-N	413.543	5.409	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](C)C[C@@H]2c2ccccc2)c1=S	795747536	VUDBCTSSTKBZIO-GHTZIAJQSA-N	420.582	5.316	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2cc(F)ccc2c1C	805855517	JRJXUYFIFAILPY-GOSISDBHSA-N	408.498	5.435	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	812987273	IWHMHGXBABDOEY-JTQLQIEISA-N	410.282	5.548	30	20	HKED	
O=C(Nc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)c1)c1cccs1	819839381	IVSVBDIPWNMEPS-UHFFFAOYSA-N	401.831	5.018	30	20	HKED	
C#CCO[C@H](C)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	904670233	IWSLIYOYPNNYDJ-LLVKDONJSA-N	423.778	5.307	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1	915087407	UCSKLCXVUMEZGW-LJQANCHMSA-N	409.258	5.496	30	20	HKED	
Cc1cc(C(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)s1	915087841	XOGOANIGCBXXHB-QFIPXVFZSA-N	402.519	5.622	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1Cl	916057644	UZSVNRWVWOHNGA-INIZCTEOSA-N	416.695	5.950	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2s1	916846088	HOEINYRBZOUFKE-LJLILKBBSA-N	406.816	5.858	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)cc1	920877050	KTPSQLFFSYUTOA-GOSISDBHSA-N	408.498	5.034	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cscc3C)cc2)CCC1	1788748093	YRMWAYXMEJOGKW-UHFFFAOYSA-N	404.482	5.016	30	20	HKED	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1	1790452775	UQOXLLACGCFAAV-UHFFFAOYSA-N	419.500	5.191	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828408631	NFPPEBOQNGRRRN-OAQYLSRUSA-N	420.613	5.271	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1	4285494	BNLCWCZXNYMNAX-UHFFFAOYSA-N	412.946	5.132	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1	6532472	VLKLTHHWVMJYBH-UHFFFAOYSA-N	406.898	5.404	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN(Cc1cccs1)Cc1cccs1	7688582	NWYQHTDUOYDPCV-UHFFFAOYSA-N	413.593	5.066	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(C)cc1	10173153	VEHIAXQADNTLDZ-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(C)c(C)c1	11164231	GQTJYDNHLBCRNO-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
Cn1c(SCc2ccc(C#N)cc2F)nc2scc(-c3cccs3)c2c1=O	11383353	SBSGMPMEULBDAK-UHFFFAOYSA-N	413.524	5.027	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	17342027	BYSFGRJAUPDUEB-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cc(-c2ccccc2)no1	29841312	NCNCSJHYUZECLS-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3	46707042	NOYPOGNKPICAPD-ZDUSSCGKSA-N	418.305	5.073	30	20	HKED	
CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)[C@@H](C)c1ccc(C#N)cc1	107793227	KIEIRYGYKZLAFL-KRWDZBQOSA-N	420.944	5.166	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccccc1OC(C)C	108311666	YWCBBQPWFRZBDL-UHFFFAOYSA-N	413.518	5.262	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCCc2ncc(-c3ccccc3)o2)cc1	111184765	YQWXJYBNIUSWRB-UHFFFAOYSA-N	403.482	5.010	30	20	HKED	
C[C@@H](C#N)CN(C)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S	116144290	RLMUCJZXAAPKQM-HNNXBMFYSA-N	411.556	5.259	30	20	HKED	
Cc1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-]	208023943	IBUWIQYOSKYQFG-QXMHVHEDSA-N	424.460	5.106	30	20	HKED	
COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc1	212459534	IPGFBJLTMHEFHT-ZPHPHTNESA-N	411.505	5.106	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccsc1	303348172	DOTCPEZMDPXYNP-APWZRJJASA-N	416.616	5.204	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)CC1CC1	303732466	VFZANVYPMJNSJA-QGZVFWFLSA-N	411.546	5.071	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	426502580	CRELJSAHFSWJHJ-CQSZACIVSA-N	407.804	5.367	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1ccc(F)cc1	429633871	UVLGKZGDTFGEOO-UHFFFAOYSA-N	419.504	5.278	30	20	HKED	
CO[C@]1(C)CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	431901766	JURGIHFAMAZIIJ-NZQKXSOJSA-N	411.933	5.418	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1OCCc2sccc21	432799351	BLOKFQVYZPPDLI-NYHFZMIOSA-N	419.506	5.236	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCc2sc(Cl)cc21	433124924	GXSASWAKNINCPD-TZMCWYRMSA-N	405.976	5.852	30	20	HKED	
CCCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](C)c1cc2ccccc2o1	435126744	QITVBEXUZUIVOJ-IBGZPJMESA-N	413.525	5.578	30	20	HKED	
COc1cc([C@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1OC(C)C	435142400	HARFKZBSJAJEKF-SFHVURJKSA-N	419.525	5.232	30	20	HKED	
CC(C)(C#N)CCCC[S@@](=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	436112514	HRLPVJVBUOUUIX-HHHXNRCGSA-N	414.518	5.798	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)Oc1ccccc1F	438065339	IMFOPMUXEXTRQI-INIZCTEOSA-N	405.429	5.079	30	20	HKED	
CCCc1c(NC(=O)Nc2ccc(OC)c(Cl)c2)cnn1-c1cccc(C#N)c1	439235421	JKKPNXSNZBUKTQ-UHFFFAOYSA-N	409.877	5.002	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](CCC#N)c1ccccc1	439660242	XIDBQOCEXVZCTO-KSSFIOAISA-N	403.345	5.091	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1cccc(F)c1	440363435	DDAHRWLWVCCXOA-WBVHZDCISA-N	401.507	5.199	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1	440448157	BXTNLTULSSVFEB-OAHLLOKOSA-N	403.463	5.109	30	20	HKED	
CC[C@@](C)(NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1nccs1	440696521	IZXCTKQRFYLHJT-HSZRJFAPSA-N	407.539	5.017	30	20	HKED	
CC(C)Oc1cc(CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)ccn1	443918933	IEIFYGSFUZIXPE-KRWDZBQOSA-N	424.570	5.460	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	460251883	PBDUQJRYZCPEFD-KRWDZBQOSA-N	409.505	5.651	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(F)(F)F)CC1	460385939	HNFRXUDPCDGBEN-UHFFFAOYSA-N	403.452	5.171	30	20	HKED	
CCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)c1ccc(C#N)cc1	461540474	MGSCGPGRURJHTQ-UHFFFAOYSA-N	403.530	5.157	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1c(F)cccc1Sc1ccccc1	463714095	VICMXZDQBPKHOL-MRXNPFEDSA-N	422.550	6.481	30	20	HKED	
Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1	464400454	DPRMLPGYYHVNSD-HXUWFJFHSA-N	418.566	5.172	30	20	HKED	
Cc1cc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)ccc1F	466107651	UXFUHIJQAPZKSM-QFIPXVFZSA-N	407.876	5.765	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1c(C)nn(C)c1C	466282625	GLSDXMJOYNRYFB-NRFANRHFSA-N	417.513	5.282	30	20	HKED	
CCc1cnc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	466333500	AYQHPZARUMGLHB-SFHVURJKSA-N	410.930	5.336	30	20	HKED	
C=CCOc1ccc(CN(C(=O)Cc2coc(-c3cccs3)n2)C(C)(C)C)cc1	467908208	HSHWLKBPNOKXJG-UHFFFAOYSA-N	410.539	5.338	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F	468535051	FPQCFGZDWXUPQJ-VXGBXAGGSA-N	407.276	5.152	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2cc(F)ccc2-c2ccoc2)CC1	470948260	PMLZBUSDTAXHOA-UHFFFAOYSA-N	404.441	5.077	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1Br	471250318	KNLBJUUXIAUYNU-UHFFFAOYSA-N	419.319	5.077	30	20	HKED	
C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H](C)c1ccccc1	473630835	JMMIPMSTRLEGLK-LSDHHAIUSA-N	423.567	5.016	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)n1	474449222	UVOJTGJQAZOOGH-CYBMUJFWSA-N	405.310	5.249	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(-c2cccnc2)cc1	474757019	XCJBUFNXGNQCQY-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc2ccccc2n1C	479585199	CPEGOGJPFJSDEV-INIZCTEOSA-N	412.518	5.087	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C	481076318	RMZDJXLUYQBYKB-UHFFFAOYSA-N	416.934	5.542	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1ccc(C(F)(F)F)cn1	483324419	MKTYRAVAMIJCFT-INIZCTEOSA-N	418.321	5.661	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C	485352470	CJMNHXULPAUJLY-UHFFFAOYSA-N	411.590	5.467	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)s2)cc1	486581695	ABJLSLJNXFVLCR-UHFFFAOYSA-N	421.566	5.143	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	488008611	RRQFOUGFNUPBKO-HZPDHXFCSA-N	420.900	5.077	30	20	HKED	
C[C@H](Cc1ccncc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	493030213	GUYMMBNHZGXNBE-IIBYNOLFSA-N	404.901	5.143	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1sccc1C#N	497995352	VZEBWCUTZPXTLM-CQSZACIVSA-N	400.956	5.608	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1	499256532	QBKCWNLCYSWBCW-KRWDZBQOSA-N	409.445	5.305	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1	499307152	MMKFEWHOHBGFGY-UHFFFAOYSA-N	401.535	5.032	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2CCCC2(C#N)CCOCC2)c1	499625421	LWCMMGZHPFVHGE-JWQCQUIFSA-N	404.554	5.326	30	20	HKED	
CC(C)[C@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	501646450	HGVVSBFTEKQUFI-LBPRGKRZSA-N	410.465	5.133	30	20	HKED	
C=CCN(C(=O)c1cc(C(C)C)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	504698273	OPWCQJHKBZKTGE-UHFFFAOYSA-N	422.337	6.061	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCCC(F)(F)C2)cc1	507839707	CJKGYKNPLMSZNY-FQEVSTJZSA-N	415.459	5.235	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccco2)c1	508649259	GPTIKFNDFJHUHD-RUZDIDTESA-N	408.457	5.250	30	20	HKED	
CN(CCCc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509882707	CSPOXPUNGMKEFL-UHFFFAOYSA-N	413.521	5.428	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510008932	ASSZFLNYVRPGMJ-ZHRRBRCNSA-N	421.903	6.359	30	20	HKED	
CC(C)c1nn(C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	516264214	IGJHXPJNPAQWAV-ZDUSSCGKSA-N	419.337	5.464	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518753644	WWBACSNIXFLLRL-UHFFFAOYSA-N	408.461	5.442	30	20	HKED	
O=C(Nc1nc(CC(F)(F)F)cs1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	519369822	ASKQGHKYXBDVTL-UHFFFAOYSA-N	412.330	5.076	30	20	HKED	
C[C@@H](Nc1cccc(COCC2CC2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	520469255	NIBICEHBRBQKFR-MRXNPFEDSA-N	423.582	5.254	30	20	HKED	
CCCCOc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC	521016121	JLZMMAAGPKUXGC-QGZVFWFLSA-N	407.297	5.176	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H]1c1cccc(Cl)c1	522071524	TUDMTXOFNRJOEM-QHCPKHFHSA-N	401.897	5.504	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	524127191	HNQKCSYGXVMULL-IEBWSBKVSA-N	410.930	5.725	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	524204330	KQKAAOWVROIODG-HNAYVOBHSA-N	402.416	5.098	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2c1	527101255	QXSYWXCRPZUMCV-GFCCVEGCSA-N	411.280	5.604	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C#N	532505641	YNIXSQRHTWSDJU-MRXNPFEDSA-N	420.538	5.367	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	534143339	ABHLXYDQALFUDF-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
C=C[C@H](CC(=O)N(c1ccccc1)c1ncccc1Br)c1ccccc1	536971536	PYCASERQWPAKSY-QGZVFWFLSA-N	407.311	5.869	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)cc2)o1	538046239	SRKCLXIDEPABJS-UHFFFAOYSA-N	423.476	5.159	30	20	HKED	
CSc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C	540412500	PYELUKOWWHFBTA-UHFFFAOYSA-N	419.525	5.962	30	20	HKED	
CCOc1c(OC)cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	541088097	VZWHOZVYPHNSKY-SFHVURJKSA-N	416.521	5.492	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)cc1	541187933	FFWORAUIZKWHQE-NRFANRHFSA-N	409.445	5.356	30	20	HKED	
COCCOc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542016096	AKNCAQHTFSPVIC-GOSISDBHSA-N	415.493	5.133	30	20	HKED	
C=CCOc1c(Br)cc(CNC(C)(C)c2ccc(C)nc2)cc1OCC	546058550	XGYDGOFABYTCDY-UHFFFAOYSA-N	419.363	5.141	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3scnc3C3CCCC3)cc2F)c1	546770482	JHSADBWGAMZOCT-UHFFFAOYSA-N	421.497	5.643	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)ccc1F	548413613	QMDPSKBCQHEJSS-UHFFFAOYSA-N	414.267	5.242	30	20	HKED	
O=C(CC1(C(F)(F)F)CC1)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1	553606457	FWUZRWIZTNNRGC-UHFFFAOYSA-N	409.248	5.318	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(C)c1	553962171	QOMYJAPTYXAKEF-LJQANCHMSA-N	416.443	5.365	30	20	HKED	
Cc1ccc(C2=CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cn1	558373265	UWSWBPOZHRTVOG-UHFFFAOYSA-N	411.530	5.342	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	561710792	RVLIFHYEJFEPIS-UHFFFAOYSA-N	417.918	5.459	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3nnc(-c4cccc(Cl)c4)o3)cc2)ccn1	564559296	NTDWAZZJTBDEHS-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(OC)c(OC)cc1-c1ccccc1	572921609	RBSLHPRXWKVDFR-UHFFFAOYSA-N	407.510	5.034	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(C(F)F)c3Cl)c2)cc1	579407337	CKSBEIPDYPBJSR-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
C=CCN(C(=O)CCc1c(C)nn(CC(C)C)c1C)c1nc(-c2ccccc2)cs1	593480655	IMDMOPXKEBIJBI-UHFFFAOYSA-N	422.598	5.431	30	20	HKED	
CSCc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)oc2ccccc12	603846339	QDPFSJVNDUDYGA-ZDUSSCGKSA-N	412.923	6.049	30	20	HKED	
COc1ccc(Cl)cc1NCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	608903561	UJAFDXVTIPGFJC-UHFFFAOYSA-N	407.857	5.063	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C	609001783	RXZCHNFWTZSHSK-UHFFFAOYSA-N	404.539	5.110	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(C#N)cc3F)cc2Cl)cc1	609252543	PRYGSGWKAVASLE-UHFFFAOYSA-N	420.831	5.336	30	20	HKED	
CCCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1Cc1ccccc1	609377406	DZBVKQABJIKUDK-SFHVURJKSA-N	418.566	5.388	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(c1ccccc1)c1ccccc1	609428688	ZXZLFFDSISUHCL-IBGZPJMESA-N	416.546	5.826	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](c2ccccc2)O1	609516413	HQZQUDILIBTPQC-UQBPGWFLSA-N	412.489	5.147	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	609523245	GREHPOWHFIAFQA-ZQIUZPCESA-N	413.226	5.497	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc2ccccc21	609609195	IMCAOBHZQCTUBE-UHFFFAOYSA-N	407.779	5.012	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H]1OCCc2ccccc21	609641952	MNOMMBCXZGLORP-VWLOTQADSA-N	414.480	5.243	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1	610599164	WDVOLJUXQBVQQT-ROUUACIJSA-N	407.564	5.021	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613403828	GNLAEMVRXNIFMQ-CYBMUJFWSA-N	420.460	5.374	30	20	HKED	
O=C(Nc1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	618539258	LPQZVXSHCMRKFU-IUCAKERBSA-N	424.263	5.180	30	20	HKED	
C[C@H](OCc1ccc(F)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485705	VWJCVOKICKOLOV-ZBEGNZNMSA-N	423.328	5.169	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3sc(-c4ccccc4)nc3C(F)F)[nH]c12	677790996	JIVPEMRYLGBDPG-CYBMUJFWSA-N	408.433	5.423	30	20	HKED	
COc1ccc(CCCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	727627614	HSAWQNGYMJNLSY-SFHVURJKSA-N	412.942	5.938	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Oc3cccc(Oc4ccccn4)c3)o2)cc1	728148307	ZZRKXWWMISTAMP-UHFFFAOYSA-N	412.401	5.137	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc3cnccc23)cs1	728432194	OPYNQNZKSWOIAP-UHFFFAOYSA-N	421.913	5.475	30	20	HKED	
Cc1ccc(Cl)c(NC(=S)NCCSCc2ccccc2C#N)c1Cl	728446983	SMDHHOIWSJRFOS-UHFFFAOYSA-N	410.395	5.393	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	730485097	USZCFUKDPNVYCM-UHFFFAOYSA-N	413.449	5.084	30	20	HKED	
O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1cccc(OC(F)F)c1	730950584	GVKCTGCTQBCCSW-RMKNXTFCSA-N	414.360	5.054	30	20	HKED	
N#Cc1c(NC(=O)Cc2ccc(Cl)cc2Br)sc2c1CCCC2	733214447	AKARWNIHYYNCTN-UHFFFAOYSA-N	409.736	5.096	30	20	HKED	
N#C[C@@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1c(Cl)cccc1Cl	733259542	YWZBYURUKVQODU-CNZFZVQHSA-N	416.695	5.589	30	20	HKED	
C#CCN(C(=O)Nc1ccccc1CC)[C@H]1CCOc2ccc(Br)cc21	733617688	KVEYRUFEHUONEU-IBGZPJMESA-N	413.315	5.002	30	20	HKED	
C=CC[C@@H](NC(=O)CCCSc1ccc(Br)cc1)c1ccncc1	734459040	DZOSDPMYRJEANY-GOSISDBHSA-N	405.361	5.150	30	20	HKED	
C=CC[C@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1	734654733	XJEWUZXPXZUZSH-DEOSSOPVSA-N	423.520	5.051	30	20	HKED	
Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	735009993	VCKSWWYKQKDLAA-UHFFFAOYSA-N	411.505	5.298	30	20	HKED	
COc1ccc(-c2nc(CSCc3cc(Cl)ccc3OCC#N)co2)cc1	735319247	WZSFNNOIGDUOMS-UHFFFAOYSA-N	400.887	5.339	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)/C=C/c1ccnc2ccccc12	735433380	SICGXBIZHSCPSN-MDWZMJQESA-N	405.457	5.859	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(Oc2nccs2)c1	736458845	LLDYIWKXTDJWOT-UHFFFAOYSA-N	400.843	5.078	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	739180662	NCCHRNRIWJWNAN-ABAIWWIYSA-N	406.404	5.509	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	741539453	LBRRDUWQRFZRSJ-UHFFFAOYSA-N	422.916	5.094	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1ncnc2c1oc1ccccc12	744788736	ZGDSXGQGJOQCCS-UHFFFAOYSA-N	420.835	5.109	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1)c1ccncc1	745828331	SBSQZCSYGDORSB-FDDCHVKYSA-N	401.510	5.435	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1	748682733	DXZKJPUFGSISHH-VWLOTQADSA-N	424.456	5.220	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	748996232	FGGKGHPPNDAMSO-UHFFFAOYSA-N	409.580	5.592	30	20	HKED	
O=C(Nc1cccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)c1)c1ccccc1Cl	749454307	XWRIVBFZPVFROC-DHZHZOJOSA-N	418.855	6.109	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)ccc1OCC(F)(F)F	750903117	NVSQYXQFOXKDCI-FNORWQNLSA-N	402.315	5.134	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(Cl)c1	754426868	MJKNVKLJWAADBR-LJQANCHMSA-N	423.727	5.104	30	20	HKED	
COc1ccc(Cn2nc(C(C)(C)C)c(CCC#N)c2O)cc1SC(F)(F)F	758423445	JGSFNYGBHRTAKK-UHFFFAOYSA-N	413.465	5.011	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](Cc2ccccc2F)c2ccccc2)ccc1OC	759997540	COEDRGMGTQRTIL-ISKFKSNPSA-N	418.512	5.589	30	20	HKED	
COc1cc(F)c(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)cc1OC	760264756	MJZOKHNVYAVCCI-CMDGGOBGSA-N	421.468	5.330	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Cc1cccc(OCC#N)c1	760408632	ZSEUUYXQBZWVMI-UHFFFAOYSA-N	422.525	5.436	30	20	HKED	
N#CCOc1ccc(Cc2nc(-c3cccc4c(Br)cccc34)no2)cc1	762277340	JGEKXEYQLAQIAN-UHFFFAOYSA-N	420.266	5.145	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cs1	763290658	RSYLXLVJQUQCEI-VFAFIFLJSA-N	418.493	5.667	30	20	HKED	
CC(C)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	764754976	NRSJVVPSVDUEAK-UHFFFAOYSA-N	416.202	5.017	30	20	HKED	
COc1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1F	765617475	PNQIREYAKVOYSN-XFXZXTDPSA-N	409.844	5.636	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1sc2cc(Br)ccc2c1Cl	766650544	ZGTFOWWPQGHFSC-UHFFFAOYSA-N	421.703	5.450	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)ccc2c1	770842510	NVUCRYVZEYDOSD-YCRPNKLZSA-N	413.502	5.347	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C[C@@H](O)c3ccc(Cl)cc3)c2)cc1	772603631	DGIVEXJVXYOGKH-HSZRJFAPSA-N	420.896	5.047	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1	772616951	JTRJHPUNPWSKPB-QFIPXVFZSA-N	406.869	5.375	30	20	HKED	
C[C@@H](CCNC(=O)Nc1ccccc1O[C@H](C)C#N)c1cccc(C(F)(F)F)c1	780671396	WYTLICFKTVWVBX-LSDHHAIUSA-N	405.420	5.312	30	20	HKED	
C[C@H](OC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1ccc(C#N)cc1	784630994	KOJWWQNFOQGSAX-KRWDZBQOSA-N	400.434	5.225	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1	787666780	XEQBTAOPGRUGAH-UHFFFAOYSA-N	413.517	5.042	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c(-c2ccccc2)n1	788357440	ZOBHGPIUOOLAAM-ZHACJKMWSA-N	404.473	5.422	30	20	HKED	
C[C@]1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C[C@H]2CC[C@H]1O2	791775801	MVNUPHKVMCNWST-UIJSSTANSA-N	407.322	5.251	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1	792094638	OYNUKCKCGUIKMM-UTKZUKDTSA-N	421.541	5.084	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nccc2ccccc12	792094764	QPWXIABOUASJHZ-DNQXCXABSA-N	418.452	5.179	30	20	HKED	
CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](C#N)c1cnc2ccccc2n1	792109214	GZQRBGQKZAJBFN-INIZCTEOSA-N	414.292	5.218	30	20	HKED	
CCc1ccc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1	796793943	QYKCZZCVPVWXGP-AWEZNQCLSA-N	401.249	5.263	30	20	HKED	
COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	796798901	RZJFDUJXCJWYAK-OXJNMPFZSA-N	418.518	5.213	30	20	HKED	
N#CCCCCCC(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1	805856536	XHIKOIQRTRRCHI-UHFFFAOYSA-N	415.287	5.081	30	20	HKED	
CCCCN(C)c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1	806260834	BRVCRTZRLYQTFP-UHFFFAOYSA-N	424.520	5.009	30	20	HKED	
Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2n1	807664008	XAPZNWFTLJTLOQ-KRWDZBQOSA-N	416.531	5.030	30	20	HKED	
Cc1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cnn1-c1ccc(Cl)cc1	809168096	FNHDBCVSAKHZLU-UHFFFAOYSA-N	402.310	5.168	30	20	HKED	
CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1sc(-c2ccccc2F)nc1C	814688668	IALMLFXDJPRIFQ-UHFFFAOYSA-N	403.866	5.445	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3nc(C(F)(F)F)cs3)s2)cc1	814867452	FMAQDYHSUSQZDR-UHFFFAOYSA-N	412.462	5.439	30	20	HKED	
O=C(/C(=C/c1ccc(-n2cncn2)cc1)c1nc2ccccc2s1)c1ccccc1	884003484	VBHPMTDVSHHEAM-ZHZULCJRSA-N	408.486	5.301	30	20	HKED	
Cc1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc(C)c1OC(F)F	914796224	ZADANSLAHKBDOU-STQMWFEESA-N	419.356	5.904	30	20	HKED	
O=C(/C=C/c1ccco1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	916845153	OJGPDQCBQCPCSE-VAWYXSNFSA-N	402.500	5.913	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2n1	916848485	KSWIRHXEEOHORY-QHCPKHFHSA-N	404.469	5.741	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F	917042304	DWJBJOMDDBUDAX-WTNCMQEWSA-N	421.325	5.220	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1nc2cc(C(F)(F)F)ccc2s1	917042683	FQRBNZHXELXQRW-JFGNBEQYSA-N	420.378	5.860	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1	917600371	QKURQXLDMYCGNH-UHFFFAOYSA-N	424.869	5.721	30	20	HKED	
Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1c[nH]c2cc(Cl)ccc12	918709340	FAEABAHKWKJSJJ-UHFFFAOYSA-N	422.728	5.558	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(c3ccccc3)CC2)cc1	919773626	VDOBVURBKPAULK-VWLOTQADSA-N	410.521	5.133	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(-n4cccc4)cc3)n2)cc1	920138640	HEYAUYANJYNJMD-NRFANRHFSA-N	413.502	5.028	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C(C)C)c(C)c3)n2)cc1	920139158	OCANOGDNBDOJPD-OAQYLSRUSA-N	420.534	5.506	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccccc3)CCC2)cc1	1791730147	KDEPNTRABIYQRA-ZEQRLZLVSA-N	414.549	5.118	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	1797870221	UZPASFBIPKKCCF-OGXDUAGGSA-N	414.634	5.224	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccccc2CC)c1	11084231	ZXPBBZZSJLKNFX-UHFFFAOYSA-O	419.570	5.158	30	20	HKED	
C=CCN(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2ccccc2)cs1	22612714	WWXUXJXXHMFTJK-NRFANRHFSA-N	420.534	5.201	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)sc2nc(C(F)(F)F)ccc12	29153377	PJVAKOGKYBXVNG-UHFFFAOYSA-N	403.429	5.677	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1	41542026	UWYBRWWSDLHXBK-LJQANCHMSA-N	409.470	5.482	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	46647861	LNOPPTVVYJDTNU-HXUWFJFHSA-N	401.510	5.119	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccn3)n2)nnc1-c1ccccc1F	218074553	VODJVLUFPZDDRW-UHFFFAOYSA-N	409.515	5.081	30	20	HKED	
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(O[C@@H](C)C#N)cc3)s2)cc1	303204186	MPCXJUXGEWHEFU-BGARDKSCSA-N	424.913	5.127	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1csc(-c2ccoc2)n1	303260123	DYZSGHQKUBFTMG-UHFFFAOYSA-N	421.291	5.133	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F	303919413	SQJFJCALRUUVFS-TZIWHRDSSA-N	404.416	5.679	30	20	HKED	
N#CCC[C@@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccccc1	427062028	YNXDGXYKJQEMGC-HXUWFJFHSA-N	409.942	5.091	30	20	HKED	
COc1cc([C@H](C)NC(=O)c2cccc(SCC#N)c2)ccc1OCCC(C)C	429872818	OXQRNYOHERWZPZ-KRWDZBQOSA-N	412.555	5.227	30	20	HKED	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H]2CC[C@H](C#N)C2)cc1	430099082	FACLUCYSKUVRHL-RXVVDRJESA-N	404.539	5.041	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(OCc3ccccc3C#N)cc2)s1	430650597	UWNWBUYSIIHGIC-FQEVSTJZSA-N	415.518	5.381	30	20	HKED	
COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OCCCC#N	433341246	HLSQXEYALDRFSO-UHFFFAOYSA-N	409.711	5.406	30	20	HKED	
N#CCSc1cccc(C(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)c1	437003863	AFDJCVDLJKJLDY-UHFFFAOYSA-N	424.570	5.322	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C	438447849	WDCGMUUKJMNIJE-DHLKQENFSA-N	422.569	5.263	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1C(F)(F)F	438635723	MOTRHQFQZKGSMA-UHFFFAOYSA-N	412.415	5.470	30	20	HKED	
CCCN(C(=O)c1ccc(C#N)cc1C)[C@H](c1cccnc1)c1ccc(F)cc1F	438975959	GPOFMGKIYACYEY-HSZRJFAPSA-N	405.448	5.182	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1	439566807	GNCWKQVXMVQWSI-KRWDZBQOSA-N	411.461	6.187	30	20	HKED	
C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1c1ccc(C(F)(F)F)cc1	441255140	GLFCQZJMWIDFOB-VBKZILBWSA-N	412.415	5.210	30	20	HKED	
C=CCN(C(=O)c1cn(CCCC#N)c2ccccc12)c1nc2c(s1)CCCC2	444300256	YYKVSHSRAQVJFD-UHFFFAOYSA-N	404.539	5.113	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCn2c(cc3c(Cl)cccc32)C1	444893175	DOCDNIRSZSUUOG-HNNXBMFYSA-N	424.957	5.594	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	461693462	GYULSUGCINRGFN-UHFFFAOYSA-N	404.518	5.081	30	20	HKED	
C[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccc(Oc2ccccc2)c(F)c1	465688876	NEMWCCMUIFXZDJ-HNNXBMFYSA-N	407.420	5.189	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1	466079963	XWADNDVTUABXOO-GOSISDBHSA-N	406.551	5.883	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)c(C)c1	466368601	MNQWFDOYSYCLNJ-HSZRJFAPSA-N	419.912	5.634	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N(CCC#N)CC1CC1	467281981	MYHLZGIYEIRZLZ-UHFFFAOYSA-N	410.905	5.058	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	468685361	OMDZYFDBDIWQDN-UHFFFAOYSA-N	420.406	5.804	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccc(F)cc4)o3)ccc21	469124399	HXGGLBDZGOTONM-UHFFFAOYSA-N	403.457	5.281	30	20	HKED	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	474187239	BTCUHHZMHSNEMS-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(Sc4ccc(Cl)cc4)o3)CCO2)c1	477617024	PMULGTGTNYXMLQ-FQEVSTJZSA-N	424.909	5.170	30	20	HKED	
O=C(c1cc(F)c(F)c(F)c1F)N1CC=C(c2ccccc2C(F)(F)F)CC1	478418823	RHUSIPOKPAZBOX-UHFFFAOYSA-N	403.297	5.191	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c3c(C)noc3n2)cc1	483245833	RJYLSRQKBKWAPS-NRFANRHFSA-N	418.456	5.545	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3ccccn3)cc2)cc1C	485162249	RHMWSBMLJCOBQA-UHFFFAOYSA-N	421.504	5.395	30	20	HKED	
C=C(C)Cn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1	489408265	RDGLDUQFKKQTFC-UHFFFAOYSA-N	419.337	5.198	30	20	HKED	
CCN(C(=O)CSc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	497886627	XSZQKYDJXZEWAO-DEOSSOPVSA-N	419.525	5.131	30	20	HKED	
CC(C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	498696047	IWYSCLOGDREJCQ-MRXNPFEDSA-N	410.930	5.608	30	20	HKED	
C=CCN(Cc1cccs1)[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1	499052930	FXHYAXILIQIPLT-HSZRJFAPSA-N	406.551	5.515	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1	499859761	GZOAPFAHYXXCBK-FQEVSTJZSA-N	405.816	5.138	30	20	HKED	
COc1ccc2c(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)coc2c1	500753089	HTRZDGLZAYDYRD-UHFFFAOYSA-N	412.445	5.595	30	20	HKED	
C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1nc(-c2ccccc2)cs1	502305441	SZYMVDWKAQHSCO-KRWDZBQOSA-N	414.534	5.242	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccccc3SCc3cccs3)CC2)cc1	503980966	QATSGKXWOLJKAZ-UHFFFAOYSA-N	416.571	5.842	30	20	HKED	
COCC[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccco1	505654777	CPDVXJCDJVLBQN-IBGZPJMESA-N	410.857	5.105	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)c2)cc1	506647014	FJLSZZGNPIZPLL-QZTJIDSGSA-N	402.416	5.249	30	20	HKED	
CC(C)N(Cc1cccnc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	506761369	HLROWRITNKQYJB-UHFFFAOYSA-N	414.509	5.169	30	20	HKED	
CCN(C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc(C#N)cc1	510375328	PSPJWBKPFLAQRE-UHFFFAOYSA-N	412.424	5.081	30	20	HKED	
N#Cc1ccc(OC2CCN(Cc3csc(-c4ccccc4F)n3)CC2)c(F)c1	512827259	JIBLGYFYVZYOHF-UHFFFAOYSA-N	411.477	5.003	30	20	HKED	
CC(C)CN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(C#N)cc1	513463406	MLRAWNIZRLZKIE-UHFFFAOYSA-N	409.489	5.312	30	20	HKED	
COc1ccc([C@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cc1	513683203	HWQATXWCLSIJAL-AREMUKBSSA-N	415.512	5.054	30	20	HKED	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	517901354	YSCRLLHIRAOVJS-UHFFFAOYSA-N	423.476	5.200	30	20	HKED	
N#CCCC[C@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1ccccc1	518806203	VMXIUONOFVRSDE-NRFANRHFSA-N	409.331	5.160	30	20	HKED	
COc1ccc(NC(=O)c2cccc(CC#N)c2)cc1OCc1ccc2ccccc2n1	524388562	LHEKTOHIQXSGQO-UHFFFAOYSA-N	423.472	5.141	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2F)c1	524454783	ZHBMDSHBXZIAFV-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cc1	524510890	HDBPRCKCUYJBOZ-UHFFFAOYSA-N	411.486	5.630	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1sccc1Br	530330986	DPXNGRPWIPUDJR-ZDUSSCGKSA-N	418.360	5.267	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1	535583613	UDLVBXMDBHIAHM-FQEVSTJZSA-N	408.501	5.108	30	20	HKED	
N#CCc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	536247810	FKCGJHRPEQOYDM-UHFFFAOYSA-N	423.394	5.276	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1	536834813	YSWNPTIOZBIJTA-CYFREDJKSA-N	424.566	5.116	30	20	HKED	
C=CCN(C(=O)[C@H]1CCC(=O)[C@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	537096373	RPOJMBVLDZDYBC-OCCSQVGLSA-N	423.365	5.641	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc(Br)cc2C(F)(F)F)c1C#N	537341292	RPICPWZCGTTZCA-UHFFFAOYSA-N	417.250	5.524	30	20	HKED	
C=CCCC[C@H](C)NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F	538341991	SIOKVZPBUCNESV-ZDUSSCGKSA-N	409.408	5.417	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)cc1Cl	538602420	RGTRLBXPFBHBAB-FQEVSTJZSA-N	410.901	5.035	30	20	HKED	
C[C@H](N[C@H](CO)c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	539085103	WIJURXZRRSHAOH-BJOHPYRUSA-N	413.308	5.387	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1	539500888	DHTULCPPBYDYEW-UHFFFAOYSA-N	415.236	5.300	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cccc(CN(C)Cc3ccccc3)c2)n1	541405705	AWRGJXUWDAFNNU-OAQYLSRUSA-N	403.551	5.389	30	20	HKED	
CCN(CC)CCCC1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	542027413	YTTKDVMGZWFGSY-IBGZPJMESA-N	416.635	5.304	30	20	HKED	
N#CCC1CCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1	542680341	IOPXCYGZQHXLJR-UHFFFAOYSA-N	422.447	5.762	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C2CC2)cc1	543291903	MIQYJQCDXSVFEB-UHFFFAOYSA-N	410.477	5.007	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(CSc3ccc(F)cc3)no2)c2ccccc21	546936806	WRDNNFPOBBTQKU-WDZFZDKYSA-N	404.470	5.540	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccc(F)cc4)cc3C)n2)cc1	549421561	RNEQAIQKLYRKNB-LJQANCHMSA-N	416.481	5.242	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nccn1-c1ccccc1	558338587	VSQSZJXHFKVRKJ-SJORKVTESA-N	405.527	5.007	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC=C(c2cccc3ccccc23)CC1	558456135	QOIASUTWMIRMKW-FDDCHVKYSA-N	400.526	5.009	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	559522976	RSXUBMGRFDRPNJ-INIZCTEOSA-N	419.447	5.181	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(C)c1	562108866	LTGZTZGHPSTTMN-GOSISDBHSA-N	400.482	5.587	30	20	HKED	
CC(C)c1c(NCc2nnc(-c3cccc(C#N)c3)o2)cnn1-c1ccccc1Cl	564649313	VVSPOTZWWYWSPE-UHFFFAOYSA-N	418.888	5.183	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1	588842960	YTUDJLKARLSLHD-UHFFFAOYSA-N	400.406	5.089	30	20	HKED	
CC(C)Oc1ccc(F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	589736250	WSJUYZRZAFMQRQ-QWRGUYRKSA-N	416.337	5.208	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H]1CCCC[C@H]1C(F)(F)F	589754200	WTRXZRKBVWNXPP-MSOLQXFVSA-N	418.419	5.330	30	20	HKED	
Cc1sc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C	590613421	VIOZSAKEGDWDHK-UHFFFAOYSA-N	420.321	5.770	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cn2)cc1	603689960	GDNHYASPBIWPJM-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1	603836627	PHQYVOJQSGIKGD-INIZCTEOSA-N	403.419	5.263	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2)c1	603995457	DPQYIRYYOHYALV-UHFFFAOYSA-N	401.491	5.003	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	609694669	WXYQZXAQOWYWRA-IAGOWNOFSA-N	405.404	5.074	30	20	HKED	
COc1cc(CSCC(=O)c2cc(C)[nH]c2C)ccc1OCc1cccc(C#N)c1	609741243	XKPYSZIRFNJNSD-UHFFFAOYSA-N	420.534	5.207	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc([N+](=O)[O-])cc1	610041936	NBUHOIMHEXRWSC-UHFFFAOYSA-N	401.422	5.175	30	20	HKED	
N#Cc1ccc(CN2CCC(Nc3ccccc3SCC(F)(F)F)CC2)cc1	611482025	MDLUPRPYJCQPMZ-UHFFFAOYSA-N	405.489	5.289	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c3c(C)noc3n2)c(C)o1	613290983	QLUXHYYDOVDEKD-LJQANCHMSA-N	422.444	5.446	30	20	HKED	
Cc1cc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(C)s1	618045032	VYPHZLANLQCAIY-UHFFFAOYSA-N	405.479	5.026	30	20	HKED	
C[C@H](NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1cccc(C#N)c1	619591046	ASXWNVFHQOCIHE-HNNXBMFYSA-N	419.422	5.308	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2ccsc2)nc1C	726134415	GAYZLZUKJJBBOO-UHFFFAOYSA-N	409.536	5.004	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	726755734	GZIZPGDHOXKVER-MRXNPFEDSA-N	411.427	5.334	30	20	HKED	
C[C@H](OC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(C#N)c1	727635544	KCLPNPJVMYXYSR-ZDUSSCGKSA-N	416.424	5.547	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Oc3cccc(Oc4ncccn4)c3)c2)cc1	728473936	SPZHVHDEIMRSDZ-UHFFFAOYSA-N	409.401	5.152	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(C)n1Cc1ccccc1	730422595	ZEOKDISYODGSQY-LJQANCHMSA-N	403.482	5.392	30	20	HKED	
C[C@H](C#N)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1	731302266	ZJVHMXVJFRNRQQ-PEBXRYMYSA-N	421.859	5.541	30	20	HKED	
COc1cc(/C=C2\CSc3c(Cl)cccc3C2=O)cc(Br)c1O	731939686	QDUNEULHYYBEOG-BJMVGYQFSA-N	411.704	5.189	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(CC[C@@H]3C[C@H]4CC[C@H]3C4)C3CC3)cc2)nc1	732069037	QWPSBQLESGDGAI-DZFGPLHGSA-N	401.510	5.176	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)cn2)cc1	733031125	NMVPPNPFGUTGEJ-OAQYLSRUSA-N	420.419	5.393	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(Cl)cc1Br	733219972	ASZMWKMXXVEJET-LBPRGKRZSA-N	423.763	5.535	30	20	HKED	
N#CCOc1ccc(COC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cc1	733498136	UKKRVLRQYBVLJW-UHFFFAOYSA-N	410.429	5.268	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(C)c2C)cs1	734305341	RBTBHLKKTYEYSO-XFXZXTDPSA-N	410.926	5.994	30	20	HKED	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	739668636	HLLUGGGQGGXWNO-OKACTXMXSA-N	414.509	5.190	30	20	HKED	
N#Cc1ccc(-c2cccc(CNc3ccc4nnc(-c5ccccc5)n4n3)c2)s1	739889613	BKQPNMRJFFNTTB-UHFFFAOYSA-N	408.490	5.004	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)cs1	742456732	RWBYGFXOHQXGKW-AWEZNQCLSA-N	419.358	6.085	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1	746260124	BPXDCNBOXIABMP-SQJMNOBHSA-N	414.480	5.093	30	20	HKED	
CCCCCCOc1cccc(C=Nn2c(S)nnc2-c2ccccc2OC)c1	747046012	RACKLTYMBLXQFS-UHFFFAOYSA-N	410.543	5.084	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)cc1	749819237	KAHPLTACDGVTHI-HXUWFJFHSA-N	417.431	5.114	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1	750688772	VZEZMHZKICTYBI-PRHODGIISA-N	401.702	5.159	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1cc2c(cc1Sc1ccccc1)OCCO2	751029936	ILUUIFNYZOGXAX-UHFFFAOYSA-N	419.531	5.290	30	20	HKED	
C=C[C@@H](CC(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	758913431	RSSSHSGWDXLRKL-ZDUSSCGKSA-N	403.265	5.447	30	20	HKED	
Cc1nc([C@H](C)N2CCO[C@H](c3cccc(C#N)c3)C2)oc1-c1ccc(Cl)cc1	761762834	WLYXEUICZLZKGD-KKSFZXQISA-N	407.901	5.310	30	20	HKED	
Cc1csc(SCc2c(C(=O)Nc3cc(C#N)ccn3)oc3ccccc23)n1	766959056	SMKJJTCKZMAYNV-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1	770379270	DIMDIKQHJRAMCR-PZJWPPBQSA-N	422.573	5.253	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1C#N	772227981	ZMGATRXKIWQJCA-UHFFFAOYSA-N	408.461	5.208	30	20	HKED	
C#CC[C@H](NCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1	775400055	HOKQEWOAQYQHOR-QHCPKHFHSA-N	403.551	5.299	30	20	HKED	
C=CCSc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1	777075107	CRSHKSIKIBQUOG-UHFFFAOYSA-N	424.547	5.463	30	20	HKED	
O=C(Nc1cccc(C=NOCCC(F)(F)F)c1)c1ccc(Cl)cc1Cl	777460934	RSMKROROTLFROI-UHFFFAOYSA-N	405.203	5.549	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	780022543	FNFFAQIXQOTVJB-BBRMVZONSA-N	407.461	5.159	30	20	HKED	
N#Cc1ccc(CN2CCC(Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2)cc1	781528682	BBAJSIGJTIKAHI-UHFFFAOYSA-N	422.532	5.085	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1	789457116	SOITZAYNUDFCTL-UHFFFAOYSA-N	401.551	5.060	30	20	HKED	
Cc1csc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1Br	792590506	YQWXPSQWNXIFJB-QGZVFWFLSA-N	411.324	5.727	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc(-c2c(F)cccc2F)cs1	793124831	KTKNFZBNRUOKNK-HUUCEWRRSA-N	408.429	5.025	30	20	HKED	
CCCCCCn1c(SCCCC2(C#N)CCOCC2)nc2ccccc2c1=O	798364327	QLAPCWXLYRHSBV-UHFFFAOYSA-N	413.587	5.169	30	20	HKED	
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)C[C@H](C(=O)O)c2ccccc21	806561690	YEJXZNBPYQKWBS-VUVZNRFTSA-N	405.431	5.162	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	808627218	BQIRSMJVKWKHFY-UHFFFAOYSA-N	409.461	5.023	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)cs1)c1sc(-c2ccc(F)cc2)nc1C	814867463	FSLVHOZTRRYYMH-UHFFFAOYSA-N	400.426	5.569	30	20	HKED	
COc1ccc2cc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)ccc2c1	915700416	QHZODASAMUAIEZ-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1	916546355	MXMDDQOPADMUQZ-UHFFFAOYSA-N	414.962	5.675	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	916905160	AYYWVDOMNLHELM-XMSQKQJNSA-N	420.553	5.358	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(Cl)cc2)s1	916907941	DDYFFCBVAYQILG-AWEZNQCLSA-N	415.301	5.683	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1Cc1ccccc1	916915836	KHEGFUXBPGBJAO-DEOSSOPVSA-N	421.500	5.268	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOCCc3ccccc3)n2)cc1	916974221	GXIUMXMLPQTCSQ-OAQYLSRUSA-N	404.535	5.334	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	917045937	DDPNWQLMFBOVNQ-PBHICJAKSA-N	412.942	6.025	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(OCCC(C)C)CC2)c1=S	917465546	LVDAEMFRIBMXGX-UHFFFAOYSA-N	414.619	5.060	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	917751315	ZUXJOPTUWZRWNS-ZFWWWQNUSA-N	421.349	5.250	30	20	HKED	
COCCOc1ccc(C(=O)/C=C\c2csc(-c3ccc(C)cc3)n2)cc1OC	918713375	JJJDBTVOMXYWNJ-KTKRTIGZSA-N	409.507	5.048	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3C(C)(C)C)n2)cc1	920138272	CDKKNKSRYWVAQU-GOSISDBHSA-N	420.534	5.371	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)CSc4ccc(C)cc4)cc3)CCC2)C1	1789107576	UVHAYIPJCUFVKG-UHFFFAOYSA-N	420.578	5.187	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CCC1	1791532421	LNJPPZYEWGUKBW-BJKOFHAPSA-N	414.549	5.118	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3csc(-c4ccccc4)n3)CCC2)cc1	1791587728	KOCUGSFBOWDXCR-UHFFFAOYSA-N	417.534	5.134	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1	25725640	HKPJLEMNSMABFO-UHFFFAOYSA-N	420.497	5.854	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@H]4C[C@@H]4C)c3)n2)cc1	41511180	PXXILVJOMGHLNH-RYGJVYDSSA-N	415.518	5.203	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1	49634724	MDEZUCIKVHMFOC-UHFFFAOYSA-N	416.506	5.074	30	20	HKED	
COc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	55327239	OWACLSQFDKOEAE-MRXNPFEDSA-N	419.506	5.182	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc2ccccc2s1	60488258	OTYDQOOFYJMEMB-LJQANCHMSA-N	400.528	6.079	30	20	HKED	
N#CCn1cc(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)cn1	139766766	IRTXYFFWGCYSKE-UHFFFAOYSA-N	417.321	5.258	30	20	HKED	
N#CCN(C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccccc1	215737548	HLGBZDMYTFHINM-UHFFFAOYSA-N	421.294	5.198	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)c1	237023617	ZENLTRIRIADCRG-QFIPXVFZSA-N	402.542	5.141	30	20	HKED	
COCCOc1cccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1	303157560	HAUMYZDCVOPQOL-LGMDPLHJSA-N	409.482	5.187	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccccc1Cl	303382222	MUDUUEBRCQYBRX-JKSUJKDBSA-N	401.963	5.223	30	20	HKED	
C=CCC[C@@H](C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)c1ccccc1	427003974	CCFRECUDCSKCNG-JOCHJYFZSA-N	417.578	5.661	30	20	HKED	
Cc1cnc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	429094382	DBWLZEHIKUZKPU-KBXCAEBGSA-N	410.930	5.643	30	20	HKED	
COc1cc(C(=O)Nc2ccc(F)cc2C#N)ccc1OCc1ccc(Cl)cc1	433985637	XJIVXPVBWKSFNI-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2)s1	436151863	HYEDESZFLOIBGJ-RTWAWAEBSA-N	402.523	5.038	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c12	436372894	YMSACTNAWACONV-FYYLOGMGSA-N	422.488	5.110	30	20	HKED	
CCCN(C(=O)c1cc(C#N)cs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	437286214	COKVQONMTHEZTL-UHFFFAOYSA-N	422.362	6.107	30	20	HKED	
CSc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl	439316735	NRLCXWUPXVKRJT-LBPRGKRZSA-N	419.959	5.033	30	20	HKED	
CCCc1c(NC(=O)Nc2cc(SC)ccc2C)cnn1-c1cccc(C#N)c1	439675743	UCZYOZPBCDWDJX-UHFFFAOYSA-N	405.527	5.371	30	20	HKED	
CCCc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@@H]3C)o2)cnn1-c1cccc(C#N)c1	440072659	NXCPSVZBQAZTAN-JOCLIGHLSA-N	414.509	5.155	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)CCCC1(C)C	445155003	CBBZQEKIVTYFFE-GOSISDBHSA-N	423.479	5.127	30	20	HKED	
C=C[C@@H](Cc1nc(CC(=O)Nc2ccc(Cl)cc2Cl)no1)c1ccccc1	445362521	CIBRJQRAEUDTFB-ZDUSSCGKSA-N	402.281	5.070	30	20	HKED	
C[C@@H](C(=O)NCCCCSc1ccccc1Br)c1cccc(C#N)c1	462073025	VXKFKZRAAWLSOR-OAHLLOKOSA-N	417.372	5.113	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cncc(-c2ccccc2)c1	466425551	LKJUKISUICHLIW-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCc1ncc(-c2cccc(Br)c2)o1	467263341	TXCFALJHLBPTAI-UHFFFAOYSA-N	412.287	5.375	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(Oc4cccc(C#N)c4)cc3)o2)cc1C	467398862	BJQJSOHSRTUIMK-GOSISDBHSA-N	410.477	6.191	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	467406621	KRRKWSTXDIVJLK-MRXNPFEDSA-N	412.415	5.074	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1	467416070	GJNMKJFBDQZGES-UHFFFAOYSA-N	410.399	5.206	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCC[C@@H]3c3ccccc3)ccc21	470537526	LOSUEPSWAKAUHJ-JOCHJYFZSA-N	416.525	5.029	30	20	HKED	
COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	474712859	MYKNDDWODJWOEQ-JOCHJYFZSA-N	415.493	5.072	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OC)c(OC(F)F)c1	475559440	OLCMCPAQFZDEDX-UHFFFAOYSA-N	404.457	5.470	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21	476241935	MWPFJZSIKADLPP-LJQANCHMSA-N	418.994	5.442	30	20	HKED	
Cc1cccc2c1OCC[C@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1	476604456	NYUUHFSUXOXIGK-JOCHJYFZSA-N	414.530	5.413	30	20	HKED	
CC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1cc(F)cc(Br)c1	476814041	CAODATQTUAFHKK-DNVCBOLYSA-N	403.295	5.243	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C	478694591	JCECPXWUPYUQHY-QGZVFWFLSA-N	402.498	5.060	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(OC)c(Cl)cc1OC	479945695	HIZFUQWFKOZECY-UHFFFAOYSA-N	401.315	5.292	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl	480420034	OEFOPHUUETZRAR-ZDUSSCGKSA-N	409.338	5.429	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1ccc(F)c(F)c1	481215259	OOTIRWNILLEIHU-NRFANRHFSA-N	416.468	5.288	30	20	HKED	
Cc1csc(-c2cccc(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2)n1	482719204	FNQNGLRAAQFEOU-MRXNPFEDSA-N	423.563	5.530	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(Oc4cnccn4)c3)c2)cc1	482795395	YVWWJSABYINIDQ-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
COc1cc(Oc2ccccc2)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	485224997	SRMLRDGKNFLFFG-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1)c1ccccc1	489633909	SHUDOGOTSLQWBQ-FQEVSTJZSA-N	403.482	5.274	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(Cl)cc3)o2)cc1	489784373	XNLVHSULAMYSDB-CYBMUJFWSA-N	400.887	5.318	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4ccc(F)c(F)c4C3)cc2)c1	494051954	WFYOHRKNJKAPRF-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	494067938	CVELZZNLDFKYBV-HNNXBMFYSA-N	410.499	5.186	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2OCC(F)F)c1	497534780	LQOBRHAYWJKBQE-UHFFFAOYSA-N	409.820	5.310	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1	502660997	OFRNVUDJTPHBLG-KRWDZBQOSA-N	410.331	5.059	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	503217915	ONQJBNBNFHYLFJ-INIZCTEOSA-N	410.543	5.567	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cccc(F)c2F)cc1	504054897	CDDADMIXXPDFKZ-UHFFFAOYSA-N	406.432	5.181	30	20	HKED	
C=CCCc1ccccc1NC(=O)NCc1nc(COC)sc1-c1ccccc1	505057782	LPYDKRPBWUXWRT-UHFFFAOYSA-N	407.539	5.397	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1	505685731	FYGHTDXEBGPMPV-ROUUACIJSA-N	418.415	5.666	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](CC(F)(F)F)C1	508917917	LGHIJFLDQOLFEL-UONOGXRCSA-N	414.859	5.036	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	509621065	WMSKJTZKFHWARO-UHFFFAOYSA-N	424.888	5.010	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511557601	UTCRPAIAPFUTMX-IBGZPJMESA-N	407.411	5.313	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccccc2OCc2ccc(Cl)cc2)nc2ccccc21	513692437	NMQXVRADBZOSME-IBGZPJMESA-N	415.880	5.296	30	20	HKED	
COc1cc(F)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513948418	LGOARXLCNFIYNL-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncc(-c3ccc(F)cc3)o2)c1	514975453	MPLVVMTXZQDNBJ-KRWDZBQOSA-N	423.513	5.525	30	20	HKED	
C=C(C)CN(CC)C(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1	515088508	JCOUXYURRWFVTG-UHFFFAOYSA-N	424.360	5.136	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1Cl	515131265	ARPBJIPWSOQMTM-QFIPXVFZSA-N	413.908	6.048	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	516130101	WYPPEMUFPPAYCW-LJQANCHMSA-N	402.494	5.059	30	20	HKED	
Cc1nn(-c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)c(C)c1Cl	518121982	FPHBQMHCONXPOY-UHFFFAOYSA-N	410.930	5.401	30	20	HKED	
N#C[C@H](C(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1	520429538	QYXWLPAADIGQOO-GFCCVEGCSA-N	408.351	5.597	30	20	HKED	
Cn1ccnc1-c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	521609351	SDUHKHMKODFMDR-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1OC(F)F	522305352	HHOUBPMQHSXJIL-INIZCTEOSA-N	422.431	5.230	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	522452558	PAMBNPIBZQLQDR-NDEPHWFRSA-N	410.564	5.276	30	20	HKED	
CCCOc1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc2ccccc12	524473644	YMDHHVKXASUERG-IBGZPJMESA-N	413.502	5.637	30	20	HKED	
Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1NC(=O)C(C)(C)C	532736208	QSCWDUMWCBGEQO-UHFFFAOYSA-N	415.541	5.369	30	20	HKED	
CCc1ccc([C@@H](CO)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	533132666	ZNDNLLGNPZVLGX-XMMPIXPASA-N	415.493	5.077	30	20	HKED	
CC(C)C[C@@](C)(C#N)NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	535324116	DOMVURWWFHFWAV-XOBRGWDASA-N	405.951	5.061	30	20	HKED	
C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccccc2CC)n1	535980019	ZOYJAQUDNZCXLM-UHFFFAOYSA-N	405.567	5.578	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	536918739	YSFYGLSTYKYPJK-INIZCTEOSA-N	416.481	5.199	30	20	HKED	
CCCCCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c2ccccc21	537481686	JNIAUBLGFXUREF-IBGZPJMESA-N	414.534	5.840	30	20	HKED	
N#C[C@@H](C(=O)c1cccc2ncccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	539463322	CKTFUHRMRADOSO-INIZCTEOSA-N	424.312	6.155	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	540059056	BXPZEKRLNQJNTF-GOSISDBHSA-N	416.546	6.256	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nn1[C@H](C)C1CC1	542386134	KBQLDWKHWIHMOT-QGZVFWFLSA-N	416.550	5.579	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	542679443	WECCREWYNBLMPT-KRWDZBQOSA-N	411.571	6.430	30	20	HKED	
CCOc1ccc(-c2noc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)cc1	543870172	RAIZUJNHAQEFFW-SFHVURJKSA-N	424.504	5.525	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)Nc1ccccc1S[C@H](C)CC#N	549205063	XKBVXVAEDRHTPK-GOSISDBHSA-N	416.550	6.019	30	20	HKED	
O=C(CC(F)(F)F)Nc1ccc(NCc2c(F)cccc2OC(F)(F)F)cc1	551582570	YDGWAHYOWXKRDN-UHFFFAOYSA-N	410.289	5.227	30	20	HKED	
CN(C(=O)c1cc(Cl)cc(F)c1Br)c1cc(Cl)ccc1C#N	551586872	OZGONRCQBBYNOY-UHFFFAOYSA-N	402.050	5.043	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1	552136927	WCZVULNTJQTTBY-UHFFFAOYSA-N	401.869	5.006	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OCC(F)(F)F)cc1	553665312	STGDWNPQUNBPHH-CQSZACIVSA-N	423.460	5.344	30	20	HKED	
C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(c2c(C)[nH]c3ccccc23)CC1	555266250	VQUADQSQYIASAR-UHFFFAOYSA-N	412.541	5.090	30	20	HKED	
C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2ccsc2)C1	555270219	YXWZRUCLNMYXED-LEWJYISDSA-N	408.571	5.036	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc1Cl	559822092	ZAGLRFBLXFSQSP-FYYLOGMGSA-N	416.912	5.663	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1NCC1CCCCC1	565676584	BADLNPMUIQLDHC-UHFFFAOYSA-N	418.541	5.298	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C4CCOCC4)CC3)cc2)c1	570355796	IBGMKJKZDQQZQL-UHFFFAOYSA-N	405.498	5.021	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1)C1CC1	574111710	NSVBEMQYSHMQCA-UHFFFAOYSA-N	411.461	5.118	30	20	HKED	
C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(Br)cc1F	588093471	SFSIWJLGRQYZGW-MRVPVSSYSA-N	416.077	5.258	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc1Cl	588672012	AENOYYSHZOBGPB-UHFFFAOYSA-N	421.953	5.152	30	20	HKED	
C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CC1(C#N)CC1	590140227	IEMAKECYJZRYSF-YJBOKZPZSA-N	403.913	5.550	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3csc(-c4ccc(F)cc4)n3)cn2)c1	603623383	ISFCKRMXXQNPSS-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H]1c1cccc(F)c1	608638223	UECGXZDBXBICAY-PAPYEOQZSA-N	412.349	5.192	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)c(C)c1	609377486	GPVPIHUHZKJUFN-OAHLLOKOSA-N	407.564	5.931	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(SCc3ccccc3)cc2)cc1	609413558	ZCBYCPABIDDRDX-UHFFFAOYSA-N	416.546	5.938	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccccc1	609437580	HMVGMSYBBWVQGO-NQIIRXRSSA-N	421.566	5.163	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)s2)o1	609509095	WEGYGLIDKOQKTI-UHFFFAOYSA-N	421.522	5.012	30	20	HKED	
CCc1cccc2c(CCNC(=O)Nc3ccccc3S[C@H](C)CC#N)c[nH]c12	609555989	QHCLGQZKULJXLM-MRXNPFEDSA-N	406.555	5.489	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1Cl	609814690	AJXTZIIUCSTPNK-UXHICEINSA-N	404.922	5.823	30	20	HKED	
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1Cc1ccccc1	610014879	YVVCZSJUEBPGGR-XXBNENTESA-N	404.558	5.005	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3ccccc3F)o2)c1C	610054139	UVJTZLCFWDWCFZ-UHFFFAOYSA-N	400.413	5.012	30	20	HKED	
CC(C)(C)OCc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	610624609	LHGKPCFJTMUAFZ-UHFFFAOYSA-N	404.466	5.298	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(c3cccnc3)CC2)c1	611256039	GMSFZTAIXIUHCK-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
Cc1nc2ccccc2c(C)c1CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2	613071283	HARBJRAMONPFEG-UHFFFAOYSA-N	401.554	5.105	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4Cl)[nH]n3)n2)cc1	613318263	TUMBSWZAOVYQFV-MRXNPFEDSA-N	418.909	5.652	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(C#N)c1	614250668	PNKOPSFPYCBQQS-BZNIZROVSA-N	415.337	5.241	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)s3)n2)cc1	671757744	VUXIWYCXVYTHSE-LBPRGKRZSA-N	403.410	5.252	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)N[C@H](C)c1cccs1	726484984	HYCLISODBQQZJW-MRXNPFEDSA-N	409.555	5.710	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc1Cl	727267500	WBPWRKWFIDDULF-WMZJFQQLSA-N	408.885	5.113	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(OCCC(=O)O)cc2)CC3)cc1	727653927	BYTLCCHCGCJDPM-JXAWBTAJSA-N	419.502	5.185	30	20	HKED	
COc1ccccc1N=c1scc(-c2ccc(NC(C)=O)cc2)n1CCCCC#N	728775898	FFLNVFCRTLFCGE-UHFFFAOYSA-N	420.538	5.110	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(Br)cc1	730421582	MHKNNIZWDLKEPF-CQSZACIVSA-N	417.303	5.352	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)Nc1ccc2c(c1)OC(F)(F)O2	730954933	OXGQWHCDUDDGOZ-LLVKDONJSA-N	407.467	5.069	30	20	HKED	
CN(Cc1ccc(OCC#N)cc1)[C@@H]1CCSc2ccc(Br)cc21	731445865	GTSBDZDSEWGAKU-GOSISDBHSA-N	403.345	5.020	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1	731976911	CYEOVJGCMGSOKY-SDXDJHTJSA-N	400.453	5.513	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2Nc2ccccc2)ccc1OC	733276221	FHZJJPVRWTUBSS-FQEVSTJZSA-N	415.493	5.050	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C/c3csc(COc4ccc(Cl)cc4)n3)c2c1	734307817	STRGVSYVLUTKPV-RUDMXATFSA-N	424.909	5.762	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)ccc1OCC(F)(F)F	741472330	HDWRNTGSBWXYIP-ALCCZGGFSA-N	413.395	5.594	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1c(Cl)nc2sccn12	741843499	GPSLYPAEVWRSFH-FNORWQNLSA-N	415.883	5.582	30	20	HKED	
CSc1ccc(C(=O)/C=C\c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1F	741848260	XCRONZJRAKEJQX-DAXSKMNVSA-N	424.497	5.006	30	20	HKED	
CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	742962722	PPIBFNJSZBKSPF-UHFFFAOYSA-N	419.412	5.310	30	20	HKED	
CCOc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	742988558	NZRYGDMKLVVXDY-UHFFFAOYSA-N	403.507	5.867	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F	744016498	NSZMJZGQSHFUNF-DYVFJYSZSA-N	412.411	5.581	30	20	HKED	
CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	753820865	CJFQTKZLNRKSAM-AWEZNQCLSA-N	407.301	5.615	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccccn3)n2)CCc2sc(Br)cc21	754683137	BFNFHSJGGNWTLG-YFHOEESVSA-N	403.326	5.242	30	20	HKED	
COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F	755636282	VKLQHQJDLRZUEV-GIIHOQTISA-N	417.465	5.109	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3cc(C)c(C)cc3C2=O)cs1	759117241	MBTPQBLJVRPTMC-KEBDBYFISA-N	424.909	5.714	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(F)cc2cccnc12	760226181	KZSCQPRLIHRGPB-UHFFFAOYSA-N	414.465	5.003	30	20	HKED	
Cc1ccc(S[C@H](C(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2)c(C)c1	760792654	OZPOCZDSODSQFP-QHCPKHFHSA-N	420.509	5.817	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccn2)n1)c1nc(-c2c(F)cccc2F)cs1	768791294	ZJFBQMBEMASHFO-NSHDSACASA-N	424.457	5.097	30	20	HKED	
CCN(C(=O)Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1)c1ccccc1	770525444	WPVWIYHKPVOTFU-FQEVSTJZSA-N	413.521	5.185	30	20	HKED	
CC(C)(C=NNc1ccc(OCC(F)(F)F)cc1)[C@H](C[N+](=O)[O-])c1ccccc1	771100967	PCWACGHAJHALJX-GOSISDBHSA-N	409.408	5.112	30	20	HKED	
N#C[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1	772671690	JQWLSKSJMZHNAB-JKSUJKDBSA-N	418.107	5.105	30	20	HKED	
C[C@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1cccc(C(=O)c2ccccc2)c1	772736145	IPUBFJRFCKVNNA-ZWKOTPCHSA-N	403.503	5.008	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2csc(Cc3cccc(F)c3)n2)cc1	774571569	WAVUXXXEWKIGKA-UHFFFAOYSA-N	424.497	5.135	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(OC)c(C(C)C)c(OC)c2)cc1	781447189	DIUQYNKBFKJZLR-OXQOHEQNSA-N	422.525	5.302	30	20	HKED	
C[C@H](C=Nn1cnnc1SCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	788980045	DDSBYMUMSIZPGH-CYBMUJFWSA-N	424.879	5.880	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1cnc(-c2ccc(Cl)cc2)s1	789141740	GEXOGLHCGKGUSI-CSKARUKUSA-N	412.898	5.327	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@@H]3CC4(CCC4)C(=O)O3)n2)o1	790260810	ULLMCMADWHZHHK-LBPRGKRZSA-N	422.428	5.118	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](CC#N)c3ccccc3)n2)cc1	796660203	CAILZMQGLBSJHZ-AZUAARDMSA-N	401.491	5.083	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(C)c(C)o2)cs1	799897682	SDUKCXGUYLUINH-RMKNXTFCSA-N	400.887	5.587	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	802045100	FUSNQXLAPRUIAT-CXAGYDPISA-N	410.926	5.768	30	20	HKED	
O=C(OC(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1)[C@H]1C[C@@H]1C(F)F	816476606	DNVSJGKRCUFMJI-IUCAKERBSA-N	410.260	5.055	30	20	HKED	
CN(C)c1ccc(C#N)cc1CNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	864033791	HNGPCODWYPTDFQ-UHFFFAOYSA-N	422.891	5.281	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	915988367	VMRKCEXQCNRXBH-CMDGGOBGSA-N	419.487	5.738	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSCc1ccc(Cl)cc1	916903625	PVQJDBPSTGKSFQ-LJQANCHMSA-N	414.958	5.046	30	20	HKED	
CCSCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	918488280	YHMSKIPXADLIJB-KRWDZBQOSA-N	420.506	5.216	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1	920298945	QRIOXHMNMGJRNM-RZNTYIFUSA-N	416.868	5.508	30	20	HKED	
CCCC(=O)Nc1ccc(O)c(C(C)=NNc2ccc(Br)c(C)c2)c1	920480020	ZAFJJBBGMLRHOZ-UHFFFAOYSA-N	404.308	5.038	30	20	HKED	
C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1	1832564965	SRRVBJRNYKZJFI-IBGZPJMESA-N	423.384	5.111	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccccc2CC)cc1	11247103	YBTRVUXBIINLIH-UHFFFAOYSA-O	407.534	5.289	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1F	15247840	LKOQEWAOMAZNMU-UHFFFAOYSA-O	419.545	5.351	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccc(N(C)C)cc1	22732057	IPIDFKLHMWNIBN-UHFFFAOYSA-O	424.615	5.023	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1	45062496	HMIOIXPONCFVIR-UHFFFAOYSA-N	416.506	5.074	30	20	HKED	
CCOc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	48161877	OUWGGHPJBYJXFI-UHFFFAOYSA-N	415.493	5.052	30	20	HKED	
CCOc1ccccc1CCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	55823755	XENKZLJZLBUCFD-UHFFFAOYSA-N	414.505	5.302	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1	62402505	BEYKBIGUJSTVLZ-UHFFFAOYSA-N	413.521	5.226	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cs2)cc1	65839641	AZAQRVHRHAOZPM-UHFFFAOYSA-N	407.495	5.120	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1	78875584	KZOUJIHYTITVPU-UHFFFAOYSA-N	410.477	5.289	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)C1(C#N)CCCCC1	302982475	IBCVVOIDPOCIIS-UHFFFAOYSA-N	404.539	5.033	30	20	HKED	
CO[C@](C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1F	428746586	TXMXQEMZXFRJGA-VWLOTQADSA-N	418.468	5.085	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)s1	430602374	GZVAQFVIJLQJCX-QGZVFWFLSA-N	419.481	5.734	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C	436420420	SWBLXDRAHULYLE-DYESRHJHSA-N	404.510	5.026	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@H](CCC#N)c3ccccc3)ccc21	439678600	PXCRQXZKAAXPCQ-QGZVFWFLSA-N	414.431	5.411	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H](N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1	442286891	VUJKRMZUWSLBFO-RTWAWAEBSA-N	423.523	5.373	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1NC(=O)CC(C)C	442690735	KGUAVHDWRBFCFU-MRXNPFEDSA-N	424.451	5.215	30	20	HKED	
C=C(C)COc1cccc(N2C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)c1	445959347	HTYYCLZGRJSCLZ-GOSISDBHSA-N	405.281	5.088	30	20	HKED	
CC(C)(C#N)CCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F	463030343	AQFFKHHAIPZJIX-UHFFFAOYSA-N	400.910	5.759	30	20	HKED	
COCCCCc1cccnc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	463041606	ZEWRMXWIDNTCOD-UHFFFAOYSA-N	417.534	5.326	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	464505828	FQGLHFNITXRERB-CYBMUJFWSA-N	424.407	5.108	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	464936350	BJUMQULPNFOILV-SFTDATJTSA-N	419.912	5.226	30	20	HKED	
C[C@H](NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)c1ccc(C#N)cc1	465658524	NWGWXWKJDJOISC-INIZCTEOSA-N	415.459	5.792	30	20	HKED	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccc(C(C)(C)C#N)cc1	470606754	OGWXHIBRFKIQGL-CQSZACIVSA-N	401.894	5.199	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](c3ccccc3)c3cccc4ccccc34)o2)cc1	471648903	MYEDCJUGXSHJGI-AREMUKBSSA-N	416.484	5.641	30	20	HKED	
Cc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cccc1C(F)(F)F	471844175	HEVAQFXWDHRTNI-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)NCCCCC#N	474330133	PDDZEKKXLKSHQS-UHFFFAOYSA-N	406.741	5.141	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1Cl	474976767	ZFBDZAMVQJBIKW-KRWDZBQOSA-N	411.933	5.284	30	20	HKED	
C[C@@H](c1ccccc1Br)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1	477542112	LXVTYXPJAPKGDO-AWEZNQCLSA-N	400.320	5.475	30	20	HKED	
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	477998709	OYZYLZNUAPIRSD-IQGLISFBSA-N	413.496	5.343	30	20	HKED	
COc1ccccc1[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)c1ccccn1	480080127	BLNDVHBMAGXJGK-RUZDIDTESA-N	423.520	5.089	30	20	HKED	
C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C(C)C)nnc1-c1ccccc1C	481335019	CCWUJQKLEAEDHY-QFIPXVFZSA-N	420.582	5.045	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1	481540004	FRPCEVDPGVYLQH-QZTJIDSGSA-N	423.929	5.162	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(F)ccc3-c3ccoc3)n2)cc1	483512146	HTYHYTKGXJMLSS-FQEVSTJZSA-N	418.449	5.708	30	20	HKED	
Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	491496504	VOLCKARDRIJZQM-JTSKRJEESA-N	423.582	5.041	30	20	HKED	
C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cc2ccccc2s1	495415569	RKHTVIKNQNDPPF-HNNXBMFYSA-N	423.513	5.226	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@](C)(C#N)C(C)(C)C	499472126	CTXZUDPZYLZKBB-HXUWFJFHSA-N	421.925	5.160	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cnn(CC(C)C)c2C)cc1	499603550	DNSUDKIPCQRBSZ-UHFFFAOYSA-N	419.485	5.164	30	20	HKED	
C=C(C)CN1CCC(NC(=O)[C@H](Oc2cccc(C(C)C)c2)c2ccccc2)CC1	500747152	CGJHOKRSPOBNTL-RUZDIDTESA-N	406.570	5.087	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)CC2)cc1	503498837	PHKFHQAPTKMAAJ-UHFFFAOYSA-N	412.371	5.039	30	20	HKED	
COc1ccnc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)c1	504534958	WLQAUHAYGGIEPP-UHFFFAOYSA-N	405.401	5.236	30	20	HKED	
Cc1nc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)sc1SCC#N	504762774	QWUNLSYCJJXKDY-UHFFFAOYSA-N	415.927	5.765	30	20	HKED	
CCc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2c(C(C)C)noc2n1	509478872	XFCWGGKFJAGYRQ-AWEZNQCLSA-N	408.527	5.413	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511544393	YZGPCTYGHKTSTJ-INIZCTEOSA-N	422.344	5.680	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)o1	512372667	XIDZPWKAHVJXQS-QHCPKHFHSA-N	424.859	5.095	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(Br)cc1	519414778	VEZJZFGWMIPMTD-ZDUSSCGKSA-N	421.385	5.432	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccco2)on1	519416165	IRMQXBZEQMXWCT-CQSZACIVSA-N	413.524	5.201	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)C2CC2)cc1	520941705	XSUHOXYRAAOFLX-MSOLQXFVSA-N	423.582	5.922	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	521209016	NJDSTUQBVMDUME-KRWDZBQOSA-N	401.466	5.550	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)cs1	521378926	JXEWQFFALAYKNO-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1	521527159	GCAXHJAMFNDGFQ-UHFFFAOYSA-N	414.490	5.017	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	521636683	GZTKESROJLHBKC-FGZHOGPDSA-N	414.461	5.110	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2	523064884	XFEWMDMBJZSUPH-VAFHRPCXSA-N	401.535	5.405	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(Oc4cnccn4)c3)cc2)c1	524240339	JTEHFJZPQMTGLZ-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1ccnc(-c2cccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)n1	524508737	RECDSMUIXKZLCM-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	525425439	XIMJUUNMPWZBLQ-HGHGUNKESA-N	423.944	5.019	30	20	HKED	
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(F)c(F)c1	525651630	YUDYCKPNMGMCCX-NSHDSACASA-N	414.399	5.732	30	20	HKED	
C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1	533775732	NWPNZWNANDOKNN-UHFFFAOYSA-N	419.594	5.675	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(C)c1Br	533795047	IYUIIXUYCITASD-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1F	534150355	VGMYYWMLWCRNPI-IBGZPJMESA-N	402.425	5.246	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)OCC	534475103	UYGHPSPSTMGWQR-AWEZNQCLSA-N	415.843	5.069	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	535223325	YWDLUYABQZREBA-HNNXBMFYSA-N	400.548	5.459	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N(CC(F)(F)F)C2CCC2)cc1Cl	535595544	BVCUNLLWHFWCRT-UHFFFAOYSA-N	408.807	5.561	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c2C)c1	535980440	MQFACUDZNMQCTH-UHFFFAOYSA-N	412.489	5.125	30	20	HKED	
CCCN(C(=O)c1ccc(C#N)cc1C)[C@H](c1cccnc1)c1ccc(F)c(C)c1	538556846	SCNZEFSAOBWYED-DEOSSOPVSA-N	401.485	5.351	30	20	HKED	
COc1ccc([C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Br	540608412	RHUUUWCHWIVOBH-MWTRTKDXSA-N	421.338	5.770	30	20	HKED	
C[C@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(-c2cccc(C#N)c2)cc1	542928255	IBJYDTXDBLWNAF-KRWDZBQOSA-N	414.509	5.076	30	20	HKED	
CO[C@@H](c1cccc(Cl)c1)c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1	546478086	IEEYDXBSZPOEMK-FQEVSTJZSA-N	421.840	5.169	30	20	HKED	
CCc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)c2c(CC(C)(C)C)noc2n1	548798024	HQTNHLYPSZFYTF-UHFFFAOYSA-N	408.477	5.073	30	20	HKED	
Cc1nc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)sc1SCC#N	550379607	VTLUDTOQYBRKSV-UHFFFAOYSA-N	423.441	5.598	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(F)c(C#N)c1	552805119	XTTBXMMMMMZXAP-UHFFFAOYSA-N	404.285	5.007	30	20	HKED	
N#Cc1ccc(NC(=O)CCSc2nc3ccccc3n2C(F)F)cc1Cl	589945054	NVLHZNODWVRMJO-UHFFFAOYSA-N	406.845	5.077	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2cccs2)c1	603530626	NIZVXAOKSPXQIE-UHFFFAOYSA-N	417.534	5.170	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl	603670459	QKNHEBHRKJVAPY-CQSZACIVSA-N	421.324	5.252	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)COCc1nc2ccccc2s1	603968424	PZFXZKFHRBZCAD-UHFFFAOYSA-N	405.504	5.052	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	604085408	FMRLZBFLTUJBMY-GOSISDBHSA-N	415.493	5.223	30	20	HKED	
CC(C)(NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(F)c1	605955215	BALHCDNGDAIQJE-RYUDHWBXSA-N	414.365	5.270	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(C)=O)cc1Cl	606779903	XJJKNDMNVPBITB-UHFFFAOYSA-N	412.795	5.134	30	20	HKED	
CN(C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1cccc(C#N)c1	608805878	PEOQHACJKCUKTO-UHFFFAOYSA-N	416.864	5.813	30	20	HKED	
CC[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)noc1C	608937497	BBZOHULHEKAXEF-UYAOXDASSA-N	407.901	5.733	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)cn2)c1	609139769	WADBIMVCFFZCNZ-XMMPIXPASA-N	421.460	5.052	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	609205617	KMJNOXBRIWZWPE-HNNXBMFYSA-N	422.529	5.942	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccccc1SC[C@H](C)C#N	609387667	CAEGKVPSKGIBQB-HIFRSBDPSA-N	417.962	5.348	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H]2CCSc3ccc(F)cc32)c1	609432611	AHYUEJYAYUCJPG-QHCPKHFHSA-N	404.510	5.603	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1	609434699	JYLCNGYGHRJGPH-GOSISDBHSA-N	401.535	5.992	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1	609434905	ZLNIABKUSYXCTN-RXVVDRJESA-N	408.571	5.039	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccccc1C(F)(F)F	609435175	WFETYBQUYRQDHT-AWEZNQCLSA-N	423.460	5.300	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)o2)cc1	609508059	UDSZYHNSAWZKNL-GOSISDBHSA-N	406.869	5.013	30	20	HKED	
Cc1ncc(-c2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)o1	609641597	OUDFBCSQARTWLV-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(Br)cc1Br)c1cccc(C#N)c1	610829720	GOEARSDTMIOCFI-RYUDHWBXSA-N	408.137	5.495	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3ccccn3)CC2)cc1	611085478	BQKSMMWIPWZESP-UHFFFAOYSA-N	413.546	5.265	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	611630916	KIPXNIHHPOYJNT-JOCHJYFZSA-N	415.562	5.759	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1	612344703	FNTITQOAVBIBAR-UHFFFAOYSA-N	413.565	5.313	30	20	HKED	
C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)nnc1C1CC1	613906503	LDWLFBRMGZKFDA-HXUWFJFHSA-N	424.614	5.095	30	20	HKED	
N#CCCCOc1cccc(CNc2nnc(SCc3ccc(F)cc3)s2)c1	619205127	YMABEKPMZOZTSN-UHFFFAOYSA-N	414.531	5.264	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)NC3CCCC3)cc2)cc1OC	630067817	MLCBKTPJZVBVIM-UHFFFAOYSA-N	414.933	5.198	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(O)cc1	642720200	TVXMDRMOTGBLLM-UWJYYQICSA-N	422.504	5.180	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1csc(-c2ccccn2)n1	727267910	WQAGQEQGKVRJGQ-MDZDMXLPSA-N	407.495	5.672	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1	727954196	MGBJKXLVUQFMLS-XOBRGWDASA-N	407.901	5.225	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)o2)cc1	728017785	APRTYYOUZGJYDY-UHFFFAOYSA-N	415.493	5.363	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@H]2c2ccccc2C(F)(F)F)c1=S	728050331	SGHBQXNWGCUADV-KRWDZBQOSA-N	408.493	5.291	30	20	HKED	
O=C(/C=C\c1csc(-c2cccs2)n1)c1ccccc1I	728440305	MDTOVAMVROVOFC-FPLPWBNLSA-N	423.300	5.372	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(OCc2cccnc2)cc1	728497112	OTXYSQKUGNXEAX-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
COc1ccc2oc(C(=O)/C=C/c3ccc(OC)c(OCCCC#N)c3)c(C)c2c1	729151711	WDNFTCAELWJPHH-RMKNXTFCSA-N	405.450	5.337	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl	731064207	XIJYSPBJEUDYCR-LBPRGKRZSA-N	423.321	5.041	30	20	HKED	
C[C@H](C#N)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)cc1	731298448	IZMJTXLRLXEFOE-IVZQSRNASA-N	403.869	5.402	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1F	731411031	QFDBYFMSLBKTMR-ABAIWWIYSA-N	419.308	6.236	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(OC(F)F)c(Cl)c2)cc1	731490136	RSZGSRABZLBLCP-WAPJZHGLSA-N	418.827	5.150	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	732496510	XCOXVRGNNOIMDC-RDTXWAMCSA-N	412.967	6.068	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)sc2c1CCCCCC2	732934288	FVMKTPOOPLVQLN-UHFFFAOYSA-N	414.962	5.180	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cccc(Cl)c1	733080182	RLZUVGXDWCFJAV-UHFFFAOYSA-N	405.811	5.437	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2ccccc2-c2ccccc2)c1	733804958	NXJXMNBGBDETCR-HSZRJFAPSA-N	413.521	5.376	30	20	HKED	
CC[C@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1cccs1	734374765	AWJPVFSNJADJQC-FQEVSTJZSA-N	421.591	5.945	30	20	HKED	
C=CCN(C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C(C)C	735585537	FVZZONKMLWESDA-UHFFFAOYSA-N	421.856	5.286	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C\C(=O)c3c(Cl)nc4ccccn34)c2)c1	737445682	FJGZCVHFMIVRTG-KHPPLWFESA-N	413.864	5.334	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)ccc2c1	741448346	VNLVSKXZFHAKTB-CHHVJCJISA-N	420.530	5.461	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)c1	741542386	RDBFFFIVSCWAHH-UHFFFAOYSA-N	413.260	5.940	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCSc2ccc(Br)cc2)n1	747197014	VAOYUMQJRWFTCA-CQSZACIVSA-N	409.374	5.388	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Cc3c(F)cc(F)cc3C2=O)cs1	751536665	SVWIKJUHKOFSRB-WUXMJOGZSA-N	414.408	5.067	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(\C)c3cccc(OC)c3)n2)cc1	751830850	ILUOAMORHUFKEK-WLEBTQASSA-N	404.491	5.107	30	20	HKED	
CCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)o1	752237990	MRCNUPFAYOLAMQ-UXBLZVDNSA-N	400.887	5.533	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C/c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1	753896991	IHXJAAPAGMYFDV-BQYQJAHWSA-N	415.301	5.915	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1	769861394	ALKPGEPFVOANEB-LJQANCHMSA-N	414.814	6.267	30	20	HKED	
O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771099352	QXAFREYRJHPVEZ-PISNEZEASA-N	407.441	5.325	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	772669248	FADNNHVYVKZZLR-SJCJKPOMSA-N	409.338	5.450	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cncc3ccccc23)c1	772842138	YGQOIENGHOSFLE-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc2[nH]ccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	776077379	OFJSVGQDSRXDFJ-SFHVURJKSA-N	405.910	5.754	30	20	HKED	
COc1ccc(C[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccc(OC)cc2)cc1	776154240	QLDYEYCPLNQJJF-AFMDSPMNSA-N	416.521	5.241	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1	776909075	TYARDYPCZQXQPN-UHFFFAOYSA-N	423.557	5.358	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)cc1	778298226	OPXAZSJBBMUGML-OAQYLSRUSA-N	420.852	5.102	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1	780161685	UHNNAWGAXOJPGR-OPAMFIHVSA-N	422.937	6.103	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1ccccc1F	780667655	KPADUHLQEUCIJE-VGOFRKELSA-N	403.457	5.222	30	20	HKED	
Cc1ccc(-c2nc(C=Nn3c(S)nnc3CSc3ccccc3)cs2)cc1	782242030	XNICTITUTDVWMJ-UHFFFAOYSA-N	423.592	5.173	30	20	HKED	
CO[C@H](C)c1nc(COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cs1	783623948	HRRKOQXOMLSZIA-OAHLLOKOSA-N	408.479	5.066	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc2)n1	792105192	UAHNJOTWUPUIQF-KRWDZBQOSA-N	416.531	5.177	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNc2ncnc3scc(C(C)(C)C)c23)ccc1OC	793097014	AULGGKNRTBYXMJ-HNNXBMFYSA-N	410.543	5.290	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1	794126325	NNTVOGJXJNHWEA-UHFFFAOYSA-N	405.401	5.062	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CC=C(c3cccc(Cl)c3)CC2)c1=S	794674879	SBOTZFLCKRTBBH-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)cc1	795205992	TVMLGDPYGKWMJQ-RTWAWAEBSA-N	410.395	5.033	30	20	HKED	
CO[C@@H]1CCC[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1	796642302	AVFKGISIEUFKEH-BJJXKVORSA-N	423.365	5.888	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	803521251	BNUDSPYCFUPHGG-SFHVURJKSA-N	422.937	5.018	30	20	HKED	
Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	804485033	ZVOOZUMUNBOLCC-UUOWRZLLSA-N	416.546	5.011	30	20	HKED	
N#CCCn1ncc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)c1-c1ccccc1	904551088	PZMKPNWAOHBBPT-UHFFFAOYSA-N	417.472	5.848	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915085922	QASKMSLJBOHRIW-HSZRJFAPSA-N	423.541	5.950	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915086390	JQMNLLKPMSTPQC-ZHRRBRCNSA-N	417.490	5.370	30	20	HKED	
N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2ccccc2n1C(F)F	915106826	GRZCEEUETSUHEY-CQSZACIVSA-N	424.476	5.630	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C/c1nc2ccccc2s1	915860123	KEJQHCKJIVLIFT-ZHACJKMWSA-N	412.474	5.316	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(OC(C)C)cc2)c1	915955785	JTHLRGPBCWHGKA-UHFFFAOYSA-N	424.570	5.247	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2)cc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O	915981657	FNCYTZMCWJNQLZ-UHFFFAOYSA-N	409.829	5.265	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)/C=C/c2cnc3ccccc3n2)cc1Cl	916057637	UWZNIEYKBRPFSV-KONDSOJQSA-N	424.891	5.591	30	20	HKED	
N#CCOc1cccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)c1	916410699	IGJRDROAKMTCTO-BMRADRMJSA-N	421.456	5.469	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1sc2cccc(Cl)c2c1Cl	916883568	MVQZXEWPFUBRQQ-NSHDSACASA-N	423.708	5.823	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)COc2c(Cl)cccc2Cl)cc1	916913951	IQAUWCRELCZRFL-MRXNPFEDSA-N	419.308	5.062	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3cccs3)oc2C)cc1	916947971	CVAMQBWOBLTLRU-DYVFJYSZSA-N	407.495	5.186	30	20	HKED	
COc1ccc2oc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2c1	916974810	RJHWAPUVTQAJSA-SFHVURJKSA-N	402.475	5.672	30	20	HKED	
N#C[C@H](C(=O)Cc1ccc(-n2cccn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916975185	AVRMUGYOKFVFLE-LJQANCHMSA-N	418.909	5.068	30	20	HKED	
CC(C)Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917027095	WOJQUXCWMYBKKM-NRFANRHFSA-N	416.546	5.848	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(Nc2ccc(SC(F)F)cc2)s1	918017574	GGEINGDAPNPLOI-HNNXBMFYSA-N	420.535	5.823	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1	1785802025	QIURLLMUEMDPQB-PXNSSMCTSA-N	416.512	5.324	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)ccc3F)CCC2)cc1	1789456050	JJIAHABWUIOTJV-HXUWFJFHSA-N	422.500	5.047	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1	1831377362	YYUPUPCJFCGMLE-AWRGLXIESA-N	410.602	5.012	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(Cl)cc1C	1847263764	OFJXPWCDKBIHFY-OALUTQOASA-N	423.384	5.110	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(C)c2)cc1	10167526	BBDNMUSLJNVOAQ-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)cc2F)c1	11249704	LUZKJWPVUCYQFB-UHFFFAOYSA-O	423.508	5.100	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1I	25720688	DQFDCLLNXFWTDV-UHFFFAOYSA-N	424.241	5.082	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1nc2ccccc2n1C(F)F	41557941	AQHIJVONKPOKAM-SNVBAGLBSA-N	400.435	5.106	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1sccc1Br	60591811	DBEYPLXPZFGIQH-UHFFFAOYSA-N	405.770	5.123	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(C)C)cc1	61963049	SXPUHADOWJXMJF-BTYIYWSLSA-N	411.933	5.177	30	20	HKED	
Cc1sc2nc([C@@H](C)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[nH]c(=O)c2c1C	72040939	FOJVCGSAAMVXJW-CQSZACIVSA-N	416.506	5.439	30	20	HKED	
Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3SCCC#N)cs2)cc1	78669133	HQPGSZNRVZBQGJ-UHFFFAOYSA-N	423.563	5.218	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2csnn2)cc1	108700532	UEZNDHPOHJKBOF-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ccc(Cl)s2)cc1	108737143	FBHCGZKUSNFKFV-UHFFFAOYSA-N	412.917	5.574	30	20	HKED	
Cc1cccc(-c2nn(CN3CCC(C#N)CC3)c(=S)n2[C@H]2CCCC[C@H]2C)c1	140820931	GVCOQJHXPXATQF-NQIIRXRSSA-N	409.603	5.334	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	303129712	BRRYZDJWDFBGNT-SJORKVTESA-N	405.281	5.220	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(OCc2ccccc2)cc1	303828070	AZGYTTMJHZCHAR-FJIJXJHWSA-N	418.443	5.028	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	409866501	KYHCGHMAEBTAGQ-JOCHJYFZSA-N	424.859	5.508	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(c2ncccc2Cl)CC1)c1ccc(F)c(F)c1	428991713	IWEMDCATQNHQKL-IBGZPJMESA-N	405.876	5.220	30	20	HKED	
FC(F)(F)C[C@@H](NCc1ncccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1	429291900	VNGAZKCEBOUKHV-CYBMUJFWSA-N	416.287	5.903	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cc(Cl)ccc3OCC3CC3)ccc21	430041028	SXITXGUAYJUFBT-UHFFFAOYSA-N	423.944	5.324	30	20	HKED	
COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	437498422	RADZGPCNFNPLII-UHFFFAOYSA-N	418.424	5.100	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(Br)c1)c1ccc(C(F)(F)F)cn1	437550827	SRTMMFJYORRTMI-GFCCVEGCSA-N	403.585	5.006	30	20	HKED	
CCn1nc(C)c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C	437889487	NGFVQGSWUCHOEI-UHFFFAOYSA-N	409.877	5.481	30	20	HKED	
CCOCc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	437954876	OFOWMFUKDMLFMA-UHFFFAOYSA-N	419.456	5.457	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)SCc2ccc(C#N)cc2OC(F)F)cc1	439540330	HBMFLEUGVLOOIP-GFCCVEGCSA-N	408.495	5.142	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)NCC2CCC(C#N)CC2)c1C	441672742	GJOSHRCNLLYHEI-UHFFFAOYSA-N	407.514	5.034	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)[C@H]2CCc3c(Cl)cccc32)cc1	443433875	GODYNZKBVIFEMQ-QHCPKHFHSA-N	407.922	5.481	30	20	HKED	
COc1cc(C[S@](=O)[C@@H](C)c2cccc(C)c2)ccc1OCc1cccc(C#N)c1	462991730	OBBPUWDRUOPAMN-ADSBAMQRSA-N	419.546	5.464	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)c1	467859478	SNTQHLQDAKCMMY-UHFFFAOYSA-N	424.859	5.199	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCC#N)Cc1ccccn1	473794903	GPHZMRXHXMLYOP-UHFFFAOYSA-N	411.465	5.002	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C	476506511	FOODRDFYZPHMFK-OAQYLSRUSA-N	423.605	5.761	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c1C#N	478262514	CLNBTIWVJFNHFU-UHFFFAOYSA-N	411.958	5.226	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)c2)cc1	480350149	VPYQEYXCXJXLON-GOSISDBHSA-N	415.493	5.166	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1	481237486	RPIYZJYHSCNUNS-UHFFFAOYSA-N	406.935	5.072	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1ccccn1	481369582	HHOMMAMTAVUCRJ-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
N#CC[C@H](Cc1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1)c1ccccc1	481910779	VIOQVTSATFVWPW-OAQYLSRUSA-N	419.488	5.375	30	20	HKED	
CCOc1ccc(-c2nc(CC)c(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)s2)cc1	483433344	LUMOKRHYETXEKU-INIZCTEOSA-N	416.506	5.138	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	488008610	RRQFOUGFNUPBKO-HOTGVXAUSA-N	420.900	5.077	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)N(C)c3ccccc3)C(C)C)o2)cc1	489787235	CYCFHMBYLFWRBZ-HXUWFJFHSA-N	423.538	5.081	30	20	HKED	
C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nc(C(F)(F)F)cs1	490080756	OYHXUYWBFSRLPV-MRXNPFEDSA-N	415.484	5.712	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c1C#N	491016970	DCPXVJYVFHHVJD-KRWDZBQOSA-N	419.472	5.019	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(OCC)cc2)n1	498441272	CNLZUPMKDKVKBZ-UHFFFAOYSA-N	405.523	5.133	30	20	HKED	
Cc1cc(NC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)nn1CCC#N	504293259	MECASGVPEXJVTA-HXUWFJFHSA-N	410.930	5.231	30	20	HKED	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1sc2ccc(C#N)cc2c1C	505296201	RLMFFZZHZRCRKY-LBPRGKRZSA-N	414.914	5.401	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	505348574	HRTVKTHWUZEOLN-HNNXBMFYSA-N	420.683	5.605	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1C(F)(F)F	506005161	QGHGQQJHZJFASP-UHFFFAOYSA-N	402.216	5.390	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNC(=O)c2cc(C#N)ccc2Cl)cc1	506635146	VLVLMUNRUIYNKV-UHFFFAOYSA-N	421.884	5.118	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1	507769231	JADULJKVMDCDCU-LJQANCHMSA-N	417.534	5.383	30	20	HKED	
CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)CC1	509400119	ACEQOLZLZLPECD-LVZFUZTISA-N	407.517	5.487	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Br)cc1OC(C)C	511426323	FHDFEPVTYKQFJG-UHFFFAOYSA-N	417.303	5.147	30	20	HKED	
C=C(C)CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cnn(C(C)C)c1	512537430	SFZBMROXWUCBSV-UHFFFAOYSA-N	416.569	5.072	30	20	HKED	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C#N)CC2)cc1	512690787	OWBFHBRWABLQGP-UHFFFAOYSA-N	400.526	5.062	30	20	HKED	
CC(C)[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccc(Cl)cc1	513001263	DGHTXIXRZCQANN-JOCHJYFZSA-N	407.949	5.042	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCSc3ccccc3F)c2)c1	515447506	ILWKSHNKUBXDPH-UHFFFAOYSA-N	419.481	5.071	30	20	HKED	
Cc1ccc(N(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C2CCCCC2)nc1	517441077	KCCXAWPRABPFTF-UHFFFAOYSA-N	411.505	6.034	30	20	HKED	
C[C@@H]1CCc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)csc2C1	518516787	YKDPXISAQZFMRJ-DYVFJYSZSA-N	403.532	5.358	30	20	HKED	
C=CCN(C(=O)c1ccc(C#N)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	523653711	IJIWCLWOTZVVBE-UHFFFAOYSA-N	415.305	5.216	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1	524943584	LVAUOTTWYBOBRN-RTBURBONSA-N	418.415	5.034	30	20	HKED	
COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1C#N	525058602	JTNMCZXIBOVWPY-ZCYQVOJMSA-N	414.530	5.178	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)oc12	525859766	GTWILVMVECEXSR-CYBMUJFWSA-N	411.280	5.604	30	20	HKED	
C=C(C)COc1cc(CNc2cccc(C[S@](=O)c3ccccc3)c2)ccc1OC	532748905	MZLSBYVNKWRBFV-PMERELPUSA-N	421.562	5.570	30	20	HKED	
Cc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)ccc1NC(=O)c1cccs1	534041787	PFDQQHMOLQIUPD-UHFFFAOYSA-N	409.898	5.111	30	20	HKED	
CN(C(=O)c1ncc(C#N)cc1Cl)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	538478456	WVROQHCUQMAWSE-NVXWUHKLSA-N	407.823	5.034	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	540565000	UMMUSOXLDGPQOI-KRWDZBQOSA-N	412.946	5.820	30	20	HKED	
CCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H](C)c1cc2ccccc2o1	541099469	WFJVBXYKVXHOPO-OAHLLOKOSA-N	417.444	5.244	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1F)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	541141388	YUAQOZJNDXFGDX-OAHLLOKOSA-N	421.312	5.077	30	20	HKED	
N#Cc1ccc(CN2CCC(Nc3ccc(COCc4ccccc4)cc3)CC2)cc1	541903273	RAXZMSYIDIVKRA-UHFFFAOYSA-N	411.549	5.352	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)cs1	543357670	ZYVQYCPSTKJXOQ-INIZCTEOSA-N	416.550	5.425	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)s1	544221185	NYXYMISBUSPMFF-AWEZNQCLSA-N	420.332	5.150	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	545380767	JSYRNFAINBCZOD-KRWDZBQOSA-N	424.566	5.575	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1Cl	548293814	WMSZPRUZJMXAKL-INIZCTEOSA-N	405.281	5.065	30	20	HKED	
N#Cc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F	551651788	BWWNMXPLJQGFES-OAHLLOKOSA-N	404.285	5.140	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(-c2ccccc2C)nc1C	553104656	JIGKMEJGXNEWGD-UHFFFAOYSA-N	408.571	5.423	30	20	HKED	
N#Cc1ccc(OC2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)c(F)c1	560499047	AAFRNMUQMULBHN-UHFFFAOYSA-N	411.864	5.049	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	561734508	SPVOROJDOZDBOM-SSEXGKCCSA-N	424.610	5.736	30	20	HKED	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	562133166	ZHARDPYGVAMUML-APWZRJJASA-N	424.932	5.094	30	20	HKED	
N#Cc1c(NC(=O)c2ncsc2C(F)(F)F)sc2c1-c1ccccc1CC2	565610883	DYTLKOQUOYXOTR-UHFFFAOYSA-N	405.426	5.113	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)c1OC	566354079	NHGVEPPFABZBCA-UHFFFAOYSA-N	402.450	5.237	30	20	HKED	
CCC[C@]1(CO)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	569503410	SWXVNZBXYXUTPE-QFIPXVFZSA-N	413.905	5.020	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	588954429	YYNWAGCOEHMMSE-UHFFFAOYSA-N	416.403	5.018	30	20	HKED	
Cc1nc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2nc1C	603814554	HRPYYPSYRLIASE-UHFFFAOYSA-N	422.488	5.144	30	20	HKED	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	604270917	ZQDVGPXUXJRCLW-RKDXNWHRSA-N	410.236	5.181	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OCC)n2)nc2cc(Cl)ccc2c1=O	607023277	GFYBPLXRQAGOLF-LBPRGKRZSA-N	421.975	5.082	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCc2ccco2)c1	608916112	KQUDJWPIIDGMON-UHFFFAOYSA-N	403.482	5.311	30	20	HKED	
CN(Cc1ccccc1NC(=O)c1cc2ccccc2n1CC#N)C1CCCCC1	609161732	ZHRMFOHJPNIYEA-UHFFFAOYSA-N	400.526	5.182	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)c2)cc1	609208872	IPDGSUFQTHEYJV-DEOSSOPVSA-N	412.493	5.895	30	20	HKED	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	609376867	KPKMPTAUUGLBNV-GJZGRUSLSA-N	413.568	5.016	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1	609403033	LZCWWUBWSPDTGN-IBGZPJMESA-N	422.598	5.067	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccccc1	609436258	JQIWIFDAOPVRTI-YLJYHZDGSA-N	423.582	5.313	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1	609502913	YSAZZPHKWWSSLW-UHFFFAOYSA-N	424.504	5.144	30	20	HKED	
CCOc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1OCC	609640687	PIDGIDWOLBMIAM-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	610010455	ZPWCSHOIDUHGPF-XLIONFOSSA-N	416.550	5.324	30	20	HKED	
CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c(C#N)c1C	610167990	IIQRETIIFCKJFB-LLVKDONJSA-N	424.444	5.256	30	20	HKED	
COCCN(C(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(C#N)cc1	610234607	AWLHSRAEERFUPK-UHFFFAOYSA-N	405.306	5.373	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)CC(F)F)cn2)cc1	610730204	KMLGYINGOMWZOZ-UHFFFAOYSA-N	408.408	5.045	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1sc(C)nc1-c1cccs1	612794932	BZJVXXXTCZRLMZ-UHFFFAOYSA-N	409.001	5.652	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1Cl	619746884	QFLVCFKNLWJBGP-OAQYLSRUSA-N	400.869	5.141	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1nc2ccccc2o1	619753841	VIECJSYKSXSOOK-HXUWFJFHSA-N	422.419	5.310	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc2ccccc2n1	621026934	VENOSGHRFOFXLE-AWEZNQCLSA-N	424.312	6.155	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(F)c(F)c1	681328323	HYFHVBNLRYBATM-HRAATJIYSA-N	411.452	5.312	30	20	HKED	
Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1Cl	683957942	SXEBGSYCKNEZRA-MYJAWHEDSA-N	405.741	5.427	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)s1	726498072	GRFQUPBCRJPCPO-UHFFFAOYSA-N	421.503	5.476	30	20	HKED	
COc1ccc(/C=C2\COc3cc(C)c(Cl)c(C)c3C2=O)cc1OCCCC#N	727780878	VRZJQIXQQQTJAS-GZTJUZNOSA-N	411.885	5.307	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728062213	JVDQYMQKFCJNEF-QGZVFWFLSA-N	411.933	5.016	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2nnc(-c3ccsc3)o2)c1	728181935	LEDBDPVVSOELRI-UHFFFAOYSA-N	419.531	5.007	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1	728483109	KIXYNQDHWPTYOT-UHFFFAOYSA-N	406.825	5.298	30	20	HKED	
Cc1cccc(COc2ccc(NC(=O)NCc3ccc(OCC#N)cc3)c(C)c2)c1	729878237	LENKQQLFTNHHOV-UHFFFAOYSA-N	415.493	5.107	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccccc1O[C@@H](C)CC	729890003	WBVSTWUZIUMIRS-HVJWIITASA-N	418.537	5.349	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)Nc1cccc(Br)c1	730954737	JGNSYHFLPOTZDL-LBPRGKRZSA-N	406.374	5.510	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2sccc2s1	731073659	IOSSXDODMDLDJL-LBPRGKRZSA-N	416.549	5.153	30	20	HKED	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNc1ccc(F)cn1	731321896	UJWXSNBJOONCFQ-UHFFFAOYSA-N	412.683	5.180	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)ccc21	731564764	SOFTUVLCHWJMQY-FLIBITNWSA-N	410.395	5.830	30	20	HKED	
N#CCOc1ccc(COC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1	733469136	WRSLJSIIQAEZQR-UHFFFAOYSA-N	419.289	5.376	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)cc1	735400304	VEIJLMCCFLAUFS-QFIPXVFZSA-N	418.443	5.464	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C)cc1	739145012	ZMIORCCEEWHDJQ-HNAYVOBHSA-N	416.493	5.541	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	739160726	MRPHUODGTKOGIU-DYVFJYSZSA-N	415.440	5.279	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1ccccc1Cl	741064255	XQJKHHKHFHOOEK-QFIPXVFZSA-N	421.884	5.168	30	20	HKED	
CC(C)c1nc(C#N)c(NN=Cc2cccc(NC(=O)c3ccccc3Cl)c2)o1	745625574	XQMQGQYCMFHQRF-UHFFFAOYSA-N	407.861	5.021	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1	757303222	DQBYZBIGMHBGEL-QHCPKHFHSA-N	423.472	5.183	30	20	HKED	
CC(C)n1ncc2cc(/C=C3\Cc4cc(Br)ccc4C3=O)c(Cl)nc21	760228921	AJVTZRGZAFVPLX-WUXMJOGZSA-N	416.706	5.251	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1C	761870357	FELMCRVFQVSRTE-QHCPKHFHSA-N	421.541	5.177	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1NC(C)=O	764431475	DHSFDZQDWYAUFT-NTUHNPAUSA-N	419.452	5.268	30	20	HKED	
FC(F)Oc1ccc(C=NOc2ccccc2C(F)(F)F)cc1Br	768365803	ASEQLONZIJWPSN-UHFFFAOYSA-N	410.136	5.482	30	20	HKED	
COc1ccc(C[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2)cc1OC	776155335	DZEBPKSXSOMQOL-NTKDMRAZSA-N	416.521	5.241	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2ccc(C)cc2)ccc1OC	779100077	GKNKZOICFNICMJ-JYFHCDHNSA-N	400.522	5.564	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc3ccccc3s2)cs1	780188559	MISBQBLOPUJGCK-FMIVXFBMSA-N	418.543	6.247	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccc(C)cc2)cc1	780671241	VMIUOFVNSLEAIB-UUOWRZLLSA-N	415.493	5.206	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C#N)c2)cc1	782204835	LSVYSMZTMYJIGU-OAHLLOKOSA-N	401.491	5.002	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1	787047840	DHZYQPGEOWZMKI-LBTNJELSSA-N	403.309	5.073	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccc(CC)cc1	802709842	PPRSQGSGOFUGCX-UHFFFAOYSA-O	408.374	5.220	30	20	HKED	
CCc1ccc2occ(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2c1	803818665	AHRGKILFRJQUIK-OAHLLOKOSA-N	422.506	5.185	30	20	HKED	
Cc1ccc([C@@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)s1	804289847	YJGATDGGDZWDFJ-OAHLLOKOSA-N	401.963	5.066	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)cc1	809872917	RLBDTRHZHAQHFE-JWQCQUIFSA-N	422.532	5.011	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	915104237	NRSMOGNDUOJXRH-CQSZACIVSA-N	424.444	5.564	30	20	HKED	
Cc1cccc(-c2nn(CN(CCC#N)CCC#N)c(=S)n2[C@@H]2CCCC[C@H]2C)c1	915794562	UYRUHOFXENZMHS-TZIWHRDSSA-N	422.602	5.228	30	20	HKED	
CCCOCc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916640900	WUHGXFHGBZPTNS-RUZDIDTESA-N	413.521	5.590	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)nc2ccccc21	916843573	NUOVVZBVUPQGIE-ANGAQGJPSA-N	401.466	5.331	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1ccccc1Cl	916906111	REAPRCQOQJMZMU-YOEHRIQHSA-N	414.958	5.293	30	20	HKED	
N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc2ccccc12	916915707	NYTGQPALQPSJRR-VWLOTQADSA-N	418.496	5.709	30	20	HKED	
COc1ccc2oc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1	916975913	GLOIFWCLPJRSQC-KRWDZBQOSA-N	422.893	6.017	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)n1Cc1ccccc1	917025122	DNUXITIMKAKGTB-QFIPXVFZSA-N	411.530	5.767	30	20	HKED	
FC(F)(F)c1ccc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc1Cl	918735249	GJTJJFMOQJZDAV-RNFRBKRXSA-N	400.672	5.321	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC	920962378	CUDSGZCWVXTBCM-FNORWQNLSA-N	412.700	5.872	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CC3)CCC2)cc1	1789453589	BKWFIKICZNDVOB-GOSISDBHSA-N	420.475	5.231	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)[C@@H](C)CC)C2	1793051320	XNYAMVIJRIRMEF-BNFFBFCJSA-N	422.613	5.223	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1	1823911116	VNPDQRIRRDWFGH-AVRDEDQJSA-N	416.993	5.094	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1cccc(C)c1	14082161	VTFSZDOSNXZXMK-UHFFFAOYSA-N	420.582	5.295	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccccc3)on2)cc1	55823793	LHAATORMFZXHAP-UHFFFAOYSA-N	409.445	5.239	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	56610046	AAXYMLXLEHMGQU-INIZCTEOSA-N	414.465	5.192	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccnc2)nc2scc(-c3cccs3)c2c1=O	59324852	VKBMSSHVFQQXRB-CYBMUJFWSA-N	411.577	5.621	30	20	HKED	
CCNC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	60157528	ZYEGVTUNKQILNN-UHFFFAOYSA-N	416.506	5.103	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	60739850	HGNGWCFCEHAMNL-LJQANCHMSA-N	405.885	5.395	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)N(CCC#N)Cc3cccnc3)c2)c(C)c1	60851007	MQDOGHGQCLFZPP-UHFFFAOYSA-N	415.562	5.547	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OCc2ccccc2)cc1	63401470	PXXQGFLLMLZEHY-UHFFFAOYSA-N	411.505	5.035	30	20	HKED	
C=C(C)CNC(=S)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	64936306	ZUDSFNDJJXJJMM-UHFFFAOYSA-N	407.461	5.129	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1	302927891	CULPNQCJNJLADZ-UHFFFAOYSA-N	408.505	5.398	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428345367	LQBZBDOQIVZRPU-UHFFFAOYSA-N	410.930	5.007	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)n1	428923212	QRZOCYWUXQSWJL-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1	429348169	WCFFLTYHTTZXTG-AWEZNQCLSA-N	405.433	5.301	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)s1	430623976	HOVUEUKOAQLAIE-HXUWFJFHSA-N	415.518	5.381	30	20	HKED	
CC1CCN(Cc2ccccc2CNC(=O)N[C@H](CCCC#N)c2ccccc2)CC1	431816604	XSDRLGHNANIRAL-RUZDIDTESA-N	418.585	5.153	30	20	HKED	
N#CCCC[C@H](NC(=O)NCc1ccnc(OC2CCCCC2)c1)c1ccccc1	431870348	SQCYPBIORUCZSH-QFIPXVFZSA-N	406.530	5.027	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2ncc(Br)s2)cc1F	432697553	GRVKPRCPTIAESA-UHFFFAOYSA-N	404.264	5.321	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C	432838566	FWGJLIHPCKMHGZ-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C1CC1	435732291	OHUHZSHHVMDRAB-UHFFFAOYSA-N	412.489	5.584	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cc1	437843738	SXFJUXANJOYAHF-JPYJTQIMSA-N	421.516	5.255	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1ccc(NC(C)=O)cc1)c1ccc(C(F)(F)F)cc1	440818918	KWHLFTGMHCATML-HXUWFJFHSA-N	419.447	5.171	30	20	HKED	
Cc1noc(C2CC2)c1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	444825237	BPPAOTBPBNWCII-UHFFFAOYSA-N	422.872	5.609	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1	446629661	BGRCFIAGMAQXPU-AVRDEDQJSA-N	423.582	5.255	30	20	HKED	
C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]1c1cccs1	460583003	JVEAXWZXUUVPSI-FQEVSTJZSA-N	403.555	5.260	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@]12CCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	460798771	WYZDYSCAHQFPOO-BFUOFWGJSA-N	409.338	5.063	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	461320256	XUEAXDZYDHEALZ-AOMKIAJQSA-N	401.441	5.108	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1Br	472035615	SPPNHPMALQTIHZ-WMZOPIPTSA-N	403.707	5.014	30	20	HKED	
CC(C)n1nc2c(c1NC(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2	473807169	JLMBRWKKTWCHRO-KRWDZBQOSA-N	413.525	5.374	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1	473829998	OETDZDXMFOTLIQ-UHFFFAOYSA-N	410.399	5.114	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1Br	476078944	INQFPBSOCFKBTI-CQSZACIVSA-N	420.322	5.846	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3ccccc3Br)CC2)cc1	476922574	QUIKIPVRSXBCME-UHFFFAOYSA-N	411.343	5.270	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c(F)c1	481370693	KYUDDYTWDGVQSJ-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2cncnc2)cc1F)c1nc(-c2ccccc2)cs1	483935908	WSUQREQMNBKTPJ-UHFFFAOYSA-N	416.481	5.239	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1Br	485213343	WOAHQXIANKPSMV-UHFFFAOYSA-N	404.695	5.194	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(c4ccsc4)CC3)cc2)cc1	485777938	AKJHSRVCZUZJNO-UHFFFAOYSA-N	402.519	5.626	30	20	HKED	
CC(C)CCn1ncc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C(C)C	486908000	HBDASPJLQCYQPD-QGZVFWFLSA-N	413.591	6.091	30	20	HKED	
N#CCCC[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1	487576012	QAEFZAVQHUCSJD-FQEVSTJZSA-N	409.436	5.104	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)CC3	492183015	XODNWIUZOUZQLS-IAGOWNOFSA-N	418.566	5.550	30	20	HKED	
COc1ccccc1[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccco1	494081244	XXKLNEQTZILCRJ-AOMKIAJQSA-N	421.522	5.594	30	20	HKED	
CC(C)(C)c1cc(CCC(=O)N(CCC#N)Cc2cccnc2)cc(C(C)(C)C)c1O	497408894	RAUHOYAGPVHAOC-UHFFFAOYSA-N	421.585	5.257	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)COc2ccc(C#N)cc2)c(C(F)(F)F)c1	499543945	YJRVXUQNISIAKB-CYBMUJFWSA-N	408.445	5.485	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C	500335629	VBSVOEBAOAXOLD-UHFFFAOYSA-N	421.522	5.072	30	20	HKED	
Cc1ccc(-c2nnc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)o2)cc1	503967690	IYYUPXUZSHIVHZ-UHFFFAOYSA-N	414.490	5.353	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	504585041	LDMWAEOZJAVWHS-FUPPJEDESA-N	416.546	5.564	30	20	HKED	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C(F)(F)F)ccc1F	505586679	VDSNYYBNTOLOCP-UHFFFAOYSA-N	422.344	5.324	30	20	HKED	
Fc1ccc(-c2noc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)cc1	505862274	IZAIDXRULUBJKJ-OAHLLOKOSA-N	419.300	5.288	30	20	HKED	
C=C(C)[C@H](Cc1nc([C@@H](Oc2ccc(Br)cc2)C(C)C)no1)OCC	508643159	DOPUAOKMYOXDTM-WMZOPIPTSA-N	409.324	5.132	30	20	HKED	
CN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	511516187	UJTIQEAQRKHEIE-UHFFFAOYSA-N	424.913	5.189	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(F)ccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3	513666425	MLNRPGGVIGGIIM-ZDUSSCGKSA-N	423.494	5.120	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2	515179582	KCWRKADZGORUKN-CQSZACIVSA-N	421.497	5.269	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc3cc(Cl)ccc3s2)o1	515641673	FEIOFVUPADYWPB-UHFFFAOYSA-N	409.854	5.246	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C	519311243	WDJFIQUJKRYEMJ-MRXNPFEDSA-N	423.469	5.117	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	521329203	WQPHABLTRBTKAN-IEBWSBKVSA-N	411.546	5.071	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cc(F)ccc1F	521722427	DNSFCLRKAKBACQ-KGLIPLIRSA-N	406.523	5.649	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(-c3nccs3)c2)CC1	523631775	CRQLPWFAGAFYSX-UHFFFAOYSA-N	418.522	5.193	30	20	HKED	
C=CC[C@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1	523968289	JPSJNYNSJHPTAK-ZDUSSCGKSA-N	423.365	5.419	30	20	HKED	
Cc1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	524012336	RFOXRBODYOEUMC-HNNXBMFYSA-N	420.444	5.073	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCOc2ccc(F)cc21	526092800	RGBVUQBYIAMHRO-IBGZPJMESA-N	404.466	5.102	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCc2ccccc21	532503433	NXFJKUJEZNOAOI-PGRDOPGGSA-N	407.583	5.419	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C1CC1	534982203	MBLZKNDTJWDJKD-MRXNPFEDSA-N	400.482	5.648	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccccc2)n1)Cc1ccc(Cl)s1	535221238	PJODIQBOFKWSQL-UHFFFAOYSA-N	417.987	5.731	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCSc3ncccc32)cc1Cl	536417377	NJBWWTYOJHFKPN-UHFFFAOYSA-N	407.882	5.151	30	20	HKED	
CC(C)[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1F	538226571	TZLVYFYYPIXEFF-NYHFZMIOSA-N	417.525	5.284	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccccc2)nc1	538659486	AIYVGTSVNQWKQC-KRWDZBQOSA-N	403.507	5.160	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1	540150423	HPLHFVVKWWYTPL-MGPUTAFESA-N	402.460	5.948	30	20	HKED	
CC(C)(C)c1ccc(C2(NCc3nnc(-c4ccc(C#N)cc4)o3)CCCC2)cc1	540479065	SZZKJHSUMYXNIT-UHFFFAOYSA-N	400.526	5.465	30	20	HKED	
C[C@@H](NC(=O)c1c(F)cccc1Br)c1ccc(-c2cccc(C#N)c2)cc1	541072164	HOQPLMPTYSNLON-CQSZACIVSA-N	423.285	5.618	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1	542282656	UHLJLXSTJBSATR-MRXNPFEDSA-N	419.435	5.060	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542931866	UYQMKSWCJWNPRF-GOSISDBHSA-N	414.553	5.115	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)ccc1Cl	543464037	AEBSBNBQAFNFQE-UHFFFAOYSA-N	405.813	5.189	30	20	HKED	
CO[C@@H](c1noc(-c2ccc(COc3ccccc3C#N)o2)n1)c1ccccc1Cl	546518048	MHKIUAWRGQOMCI-HXUWFJFHSA-N	421.840	5.169	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	551717255	GEHRSYRBDHXUTP-JOCHJYFZSA-N	416.487	5.764	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccnc(Sc2ccccn2)c1	554431281	SRKRIDGNEGTPIZ-UHFFFAOYSA-N	422.558	5.015	30	20	HKED	
N#CCCCn1cc(-c2nc(-c3cccc(CN4CCCC4)c3)no2)c2ccccc21	569505597	XDLOAYHWMWYSST-UHFFFAOYSA-N	411.509	5.258	30	20	HKED	
CCCN(C)[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(Cl)cc1	586855245	YTJGXBJWWIFCRB-GOSISDBHSA-N	424.759	5.331	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc2ccccc2n1	587988718	JMSHUYFYTDMAHN-INIZCTEOSA-N	423.419	5.867	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C	590330985	WRPWVGDUMGZECF-UHFFFAOYSA-N	410.514	5.995	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C	591610617	OVTKDUMCCSTVQU-KRWDZBQOSA-N	409.530	5.716	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1ccc2ccccc2c1	596131807	MPTMTTAIUHVDIY-QGZVFWFLSA-N	402.519	5.836	30	20	HKED	
C=CCOc1ccc(C(=O)N(CCC)[C@@H](c2cccnc2)c2ccc(F)cc2F)cc1	599363602	CXGCUASWVNOTCA-DEOSSOPVSA-N	422.475	5.566	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CSc2ccc3c4c(cccc24)CC3)c1	603969617	JTELCCMJLHBRID-UHFFFAOYSA-N	402.519	5.352	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(Nc2ncccn2)c1	604358308	VPJUZWDNUXNVSI-UHFFFAOYSA-N	421.460	5.445	30	20	HKED	
CCc1c(C)sc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1C#N	609031311	ITOZVAMVSXCHKV-UHFFFAOYSA-N	407.973	5.510	30	20	HKED	
CC1CCC(OC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)CC1	609402849	CYUMPEBDBPMWKJ-XBMUEBEBSA-N	415.603	5.530	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1S[C@H](C)CC#N	609431104	RHRXCLYCEIQJDL-CQSZACIVSA-N	403.935	5.102	30	20	HKED	
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609499528	JVADVQDOGZFBOK-MRXNPFEDSA-N	413.433	5.045	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)c1ccc(C#N)cc1	609813722	IRXRQFYHEFUVAN-RTBURBONSA-N	410.546	6.279	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1OC(F)F	609815174	REBBGIQXUBCTKL-UHFFFAOYSA-N	424.422	5.383	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)cc1	609855243	GSOSVIPMZBULOT-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCCC[C@H]1c1ccco1	609928772	JLKWMGRJYHEZHX-QHCPKHFHSA-N	415.493	6.401	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccc(C#N)c1	610334975	DBIRFGQMWVGKKP-HNNXBMFYSA-N	400.413	5.244	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1cccc(C#N)c1	610362412	RLEAHSCBCAFOEY-CYBMUJFWSA-N	412.276	5.543	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4nc(C)cc4C)cc3)n2)cc1	612894857	RCSIEIFNDCFVJD-OAQYLSRUSA-N	412.518	5.411	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	615491459	WAUZGJAWQPZUBC-UHFFFAOYSA-N	408.498	5.347	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc3cnncc23)c1	617149213	PDCDZZRLBILUBG-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2cc(C)ccc2C)cc1	621794830	XYBGKMHNNIGMGO-HXUWFJFHSA-N	405.542	5.343	30	20	HKED	
O=C(COc1ccc(C(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622478173	WXXCJEXPNWWCKG-OAHLLOKOSA-N	409.301	5.033	30	20	HKED	
O=C(CCc1ccc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674446092	GZJNLWUCHFTGOU-ZIAGYGMSSA-N	423.328	5.218	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2C)c1	676472477	WSBBCAPFPKWJEA-INIZCTEOSA-N	404.470	5.036	30	20	HKED	
CSc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	677998803	AKBMJRSLOUUKCA-NXEZZACHSA-N	403.363	5.187	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	679617731	YDCNDAXKTRICMD-QKCSRTOESA-N	400.338	5.192	30	20	HKED	
C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@@H]1c1csc(C)n1	685543717	JXBFTMRZOUCXRP-JOCHJYFZSA-N	415.566	5.315	30	20	HKED	
COc1cc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(C)C	728465635	OODVUCZXOFAQOD-UHFFFAOYSA-N	416.477	5.076	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cc1	728738273	NRDYANCETVQSGW-IZZNHLLZSA-N	409.533	5.971	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1nc2ccccc2o1	730399169	VZGJDCUAYYHOOL-AOMKIAJQSA-N	420.440	5.816	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c2ccccc2)c1	730686792	POMTYOCIFXKPOO-ATIYNZHBSA-N	423.516	5.693	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2sccc2C)ccc1OCC(=O)Nc1ccccc1	733748686	GVSDFSVJBDRYLN-PKNBQFBNSA-N	421.518	5.369	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	733845856	ZYMBJECGRROJNV-FUHWJXTLSA-N	408.527	5.084	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc(C#N)c1	743777078	OHEATQBFAHCWFO-AWEZNQCLSA-N	411.383	5.255	30	20	HKED	
CC(C)NC(=O)[C@@H](C#N)C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1	744033671	UPGLENAANMJIIA-HNNXBMFYSA-N	421.349	5.133	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC)c1ccncc1	745827247	HYIRDSPINNXVPI-JTHBVZDNSA-N	421.928	5.450	30	20	HKED	
CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc([S@](C)=O)cc1	746368270	HSXJMRPNTDNECM-LJAQVGFWSA-N	420.563	5.240	30	20	HKED	
Cc1cccc(-c2nn(CN(C)C[C@H](C)C#N)c(=S)n2-c2ccc(Cl)cc2)c1	746706660	OECZQEMOZYLIBO-MRXNPFEDSA-N	411.962	5.081	30	20	HKED	
CCCCCOc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC	747034959	ZSRRDHNBVGZFNK-RCCKNPSSSA-N	424.566	5.773	30	20	HKED	
Cc1ccccc1[C@H](OC(=O)CCc1c(C)nn(CCC#N)c1C)c1cccs1	748503220	NFLVXBQABIXSPU-QHCPKHFHSA-N	407.539	5.049	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc([C@H](C)O)cc1	749354077	SGQSWJVLZOJWEV-KRWDZBQOSA-N	401.466	5.034	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3nc(S)[nH]c3c2)cc1	758619523	PTNQIJMYSCYSKF-UHFFFAOYSA-N	416.531	5.268	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Br)ccc1F)c1nc2cc(F)ccc2s1	759329976	USRAQVJKDVYCFL-ZDUSSCGKSA-N	421.266	5.146	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccc(F)cc3OCC#N)oc2c1	760802091	XHXXONIXFJXHQW-UHFFFAOYSA-N	416.408	5.402	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)c1ccncc1	762296211	JXJGTNSADRKGPA-HXUWFJFHSA-N	403.448	5.307	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cc(Br)ccc2F)cc1OC(F)F	763121357	DSAIGRPFBKMVPR-QHHAFSJGSA-N	401.178	5.094	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	763727047	YSHKSDQTUDJVLZ-UWFXLKAESA-N	405.542	5.447	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cncc4ccccc34)n2)cc1	765589694	MTVQBEIEWHIPFP-OAQYLSRUSA-N	413.502	5.176	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771099280	QMACIMYOKFHUNB-KBOKABMXSA-N	424.497	5.188	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCc3c2sc2ccccc32)ccc1OC	772985607	KXTILJSYXDWYGU-YLJYHZDGSA-N	406.551	5.758	30	20	HKED	
CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1	772986661	QBHNSWCWUIZJDG-CRAIPNDOSA-N	402.922	5.279	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCC2	780484889	GLWKYAWGJJIGHW-PKTZIBPZSA-N	413.525	5.319	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780551846	IKWKKUTZJRRMHQ-KRWDZBQOSA-N	419.456	5.648	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1	781080362	WOSVVJKHFDPYTL-HXUWFJFHSA-N	405.502	5.048	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ncc(C(F)(F)F)s2)CC3)cc1	788355800	POCVAPLBVSYIBM-DHZHZOJOSA-N	422.453	5.507	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1cnc2ccccc2n1	792099677	FDYKVRYCNVROAN-QGZVFWFLSA-N	420.310	5.081	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(CCC)C1CCN(C(=O)OC(C)(C)C)CC1	800577112	GPLDLMYVFDEMIT-UHFFFAOYSA-N	415.578	5.449	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNc1nc(Cl)c(C#N)s1	804358318	XRPKCFQLSHPOTO-UHFFFAOYSA-N	400.891	5.256	30	20	HKED	
COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	810115474	ZDHFSPBQFSBACC-HXUWFJFHSA-N	404.853	5.034	30	20	HKED	
COc1cc(C#N)ccc1OC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1	812830456	BIQKIGPLMQQWAE-UHFFFAOYSA-N	410.470	5.021	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1Br	813218209	TXLNQTTUIXNKQU-GFCCVEGCSA-N	411.221	5.017	30	20	HKED	
CC(=NNc1ncncc1Cl)c1sc(-c2ccc(Br)cc2)nc1C	814908809	CXUADSWSSVPMPF-UHFFFAOYSA-N	422.739	5.161	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl	817879336	HVRNJIBKABBYKO-LLVKDONJSA-N	400.853	5.523	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cn2)c1	915175174	OZCCHADVASTSON-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1	915636000	JATAHYIITPVWBW-WJDWOHSUSA-N	420.437	5.014	30	20	HKED	
Cn1c([C@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)nc2ccccc21	916844823	DVKXOYHIRLXMNT-LJQANCHMSA-N	421.928	5.530	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc2ccccc2n1	916848211	GHKKNPQNCLSLTQ-DHLKQENFSA-N	418.452	5.179	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917044128	QJZZJUUFUFSWAP-KRWDZBQOSA-N	414.962	5.228	30	20	HKED	
N#C[C@@H](C(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1)c1nc2ccccc2s1	917094236	NDRSELDPDCJTGF-VXKWHMMOSA-N	423.541	5.120	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCCc1nc2ccccc2s1	920101559	DXTGWZALEUKCHJ-KRWDZBQOSA-N	415.518	5.391	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1	1787655720	OYRAZCWZXMLOJE-UHFFFAOYSA-N	417.553	5.061	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1	1791252029	GFLJBYKUKKVQLU-RTBURBONSA-N	415.537	5.274	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1OC	8347182	VNSHQVGBMBVOND-BYIUCRAPSA-N	408.523	5.103	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2c(C)cccc2C)cc1	11153151	UJVIHOGZBHSNMP-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1	15282433	CETBZEPTSXAMRC-XDHOZWIPSA-N	419.462	5.363	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nnc1-c1ccncc1	19855091	KSNNTFFSVSJAGR-UHFFFAOYSA-N	424.529	5.072	30	20	HKED	
CC(C)CCSc1ccc(/C(O)=N/c2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-]	29283213	YQLSTGPJAGTZQD-UHFFFAOYSA-N	420.438	5.240	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161479	KIOPQNQVYVMLQA-UHFFFAOYSA-N	403.457	5.135	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc(-c2ccccc2)cs1	50206240	IXYFOOQUKUKXHD-MRXNPFEDSA-N	404.882	5.139	30	20	HKED	
COc1cccc(-c2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cs2)c1OC	58396946	DOWCXFNLKSKYKY-UHFFFAOYSA-N	407.539	5.110	30	20	HKED	
Cc1nc2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc2n1-c1ccccc1	59770124	RZSSVPKSOFDGJG-UHFFFAOYSA-N	410.477	5.269	30	20	HKED	
C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	60692374	FCEGOZUCGMQRKS-PGRDOPGGSA-N	408.567	5.176	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C	65776632	KESJFWIKIIJXIW-UHFFFAOYSA-N	404.457	5.494	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1F	218653588	IOARLTXVIWSHFS-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)c1ccccc1	410098459	FTIWGZQMEMIRLK-GOSISDBHSA-N	418.434	5.580	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCC#N)Cc1ccco1	426091679	OUHLISNLYCATOL-UHFFFAOYSA-N	400.438	5.200	30	20	HKED	
Cc1c(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)sc2ccc(C#N)cc12	428184527	OZQVILFJCDIGEI-UHFFFAOYSA-N	417.465	5.338	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1COCc1ccccc1	428932762	SACZPGOZAZMJEN-UHFFFAOYSA-N	400.478	5.071	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1c(F)cc(F)c(F)c1F	430959396	YXWWVGGLDPEAHX-SECBINFHSA-N	408.317	5.164	30	20	HKED	
C[C@@H](Cc1ccccc1Br)NC(=O)N[C@H](CCCC#N)c1ccccc1	431299142	WDGNBKIUWQNMMN-OXJNMPFZSA-N	414.347	5.114	30	20	HKED	
Cc1cc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(Br)c1	431989044	YBMRDDKAYHTCNX-UHFFFAOYSA-N	400.320	5.380	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1	436100184	JHTXMXKYKAJUMU-QFIPXVFZSA-N	411.892	5.537	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)cc1	437378128	XLGBHXFDPHSOGE-UHFFFAOYSA-N	423.447	5.482	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438643092	SCRBOQKBWKNULM-LLVKDONJSA-N	415.337	5.821	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(C)c(Oc2cc(C)ccn2)c1	439613894	WSCVDWRXGUEGGO-IBGZPJMESA-N	421.566	5.567	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc(N(C)C(C)=O)c1)c1ccc(C(F)(F)F)cc1	442219901	OTHRLCGFHAHYBZ-HXUWFJFHSA-N	419.447	5.517	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1	443941695	WRHIASIUTMKMPD-HOTGVXAUSA-N	415.946	5.277	30	20	HKED	
CN(Cc1ccccc1F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444011429	APAPFKSPFUXLAM-INIZCTEOSA-N	422.344	5.680	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCC(=O)c1cc(Cl)sc1Cl	446001220	HOCQOCXHBFYVQX-UHFFFAOYSA-N	411.310	5.315	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc2c(cc1Br)CCC2	446430697	XLUMYGDHPHFEMT-WIYYLYMNSA-N	424.342	5.241	30	20	HKED	
N#Cc1c(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)sc2c1CCCC2	448101197	MJXBNIPWMVUVMZ-UHFFFAOYSA-N	411.433	5.216	30	20	HKED	
Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1	460541553	FNMXMBMAUWPEBE-UHFFFAOYSA-N	402.494	5.089	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)c1ccc(Br)s1	463579861	ZXEGOPLQBRUDHK-AWEZNQCLSA-N	405.361	5.171	30	20	HKED	
C=CCOCCCC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	463667307	VEHQSAIRAHMMGR-UHFFFAOYSA-N	420.431	5.187	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1cc(C(F)(F)F)ccn1	464402593	ABGGZKZSGMMVQM-INIZCTEOSA-N	423.419	5.867	30	20	HKED	
C[C@@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(C#N)cc1	465651423	FCGAUJTUZQTGNA-OAHLLOKOSA-N	401.432	5.059	30	20	HKED	
N#CCCn1cc(CNC2CC(c3ccc(F)c(Cl)c3)C2)c(-c2ccccc2)n1	466472522	GQSCXXRURWYTMG-UHFFFAOYSA-N	408.908	5.292	30	20	HKED	
CC#CCCCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1	466859979	VBNKCRVNHYNFFN-UHFFFAOYSA-N	416.396	5.145	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1	467334341	GUIKUBGIDMPLDZ-KXBFYZLASA-N	415.946	5.197	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12	469411863	LDJKDSKKIGYALE-KRWDZBQOSA-N	402.523	5.449	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CCCC[C@H]1c1cccc(C(F)(F)F)c1	469521922	KVNQPUNFCSZWKB-KRWDZBQOSA-N	407.461	5.194	30	20	HKED	
C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1(C)C	473622057	FYUPVXGVEKVMAD-HNAYVOBHSA-N	424.928	5.371	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CC(=O)c3ccccc32)c1	475935569	VUYGGDKEOHROAE-JOCHJYFZSA-N	400.865	5.115	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1	476083670	KZEFQPHOZDGARD-UHFFFAOYSA-N	419.550	6.496	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	476093825	BZHRIBBZWWFSAB-UHFFFAOYSA-N	403.526	5.204	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1ncc(-c2ccccc2Cl)o1	476124394	UPZTWWJVHMJOJQ-UHFFFAOYSA-N	408.929	6.418	30	20	HKED	
COc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(OC2CCCC2)c1	478410418	VJXDEAGBKLATDC-UHFFFAOYSA-N	421.541	5.008	30	20	HKED	
CN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1cc(Cl)ccc1C#N	479562836	KKSKQNKGAMVKJA-UHFFFAOYSA-N	421.831	5.631	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1ccccc1C	481341389	MTUYFGKMNFFWDA-OAQYLSRUSA-N	420.582	5.141	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N[C@@H]1CCCC(F)(F)C1	482404844	XDHNMKOSIYNMIU-SKDRFNHKSA-N	404.301	5.186	30	20	HKED	
CCCCn1ncc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1C(C)C	482740957	DRIWDFWIBMFHCW-UHFFFAOYSA-N	406.486	5.103	30	20	HKED	
CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	482851627	YFQULIIQAKYOPU-JTHBVZDNSA-N	422.594	5.564	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cc1	483867052	MPSAMVOHMAJHNA-UHFFFAOYSA-N	424.472	5.287	30	20	HKED	
CN(C(=O)CC(C)(C)C(F)(F)F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	484083920	UETBYHZUBHREPM-LBPRGKRZSA-N	409.292	5.746	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C	484551521	JKOYPUTWLMDAFM-SFHVURJKSA-N	411.461	5.254	30	20	HKED	
C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc2ncsc2c1	485980373	MUKMGIMCPYESQW-ZDUSSCGKSA-N	419.535	5.098	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccsc4)CC3)cc2)cc1	486524346	ACOUGPNGQDQBNJ-UHFFFAOYSA-N	403.507	5.824	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1-c1ccccc1	488012113	WZAMZZGVHVZPSY-UHFFFAOYSA-N	424.479	5.034	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1	490013822	NVFLTTHCMKGEEX-KRWDZBQOSA-N	420.296	5.180	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	491999470	NARLUFVHDKEAFM-ZDUSSCGKSA-N	414.252	5.130	30	20	HKED	
CCc1nc(C(C)C)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	497368716	XWVDLIWWUCWWIA-SFHVURJKSA-N	405.523	5.390	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C	497490966	YYCFOEKAKUTJBU-UHFFFAOYSA-N	410.992	5.584	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1	498061629	SZPFBGXOIAZIMJ-CQSZACIVSA-N	404.413	6.035	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)Sc1ccc(Br)cc1	499047163	BCQUKVPNTFGIFK-HNNXBMFYSA-N	415.356	5.016	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C	499324690	QBPLZPQGEBDYES-UHFFFAOYSA-N	413.443	5.070	30	20	HKED	
Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cccc1C(=O)N1CCCC1	499581287	MLNQCGWPNMXVBZ-UHFFFAOYSA-N	409.489	5.022	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	500319245	YVSPGIVNXCCGOD-UHFFFAOYSA-N	416.525	5.394	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(Cl)cc3Br)n2)c1	501174012	VDQSRXLLYNCWGN-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
C[C@@H](NC(=O)N1CCC=C(c2ccncc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	501851966	DSFUXLMPGAOKBP-LJQANCHMSA-N	408.505	5.180	30	20	HKED	
N#CCCCCNC(=O)c1ccccc1SCc1ccc(Br)cc1	505047994	KLWHROOUTRBEBJ-UHFFFAOYSA-N	403.345	5.165	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1	505148559	JWBGCZVQEHNUBX-GFCCVEGCSA-N	419.337	5.282	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)CCC(C)C)c3cnn(C(C)C)c3n2)cc1	505213180	IMURILJVFVHGFN-UHFFFAOYSA-N	417.557	5.390	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cc(Cl)ccc3Cl)n2)cc1	505455835	RALJPQXBKWMXOA-CQSZACIVSA-N	402.306	5.671	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@H](c2ccccc2Cl)C1	505616385	ZQMJCSGMEJFXKH-KRWDZBQOSA-N	402.256	5.130	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(Cl)c3)c2)cc1	505892560	DWCJTXBLDILYCO-UHFFFAOYSA-N	405.885	5.307	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	505964269	AJSQKUDMAFLICU-MRXNPFEDSA-N	419.790	5.317	30	20	HKED	
C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	507844223	KFPMPNRRPCJHTH-INIZCTEOSA-N	422.916	5.077	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1C(C)C	512732412	AIEWIMISTYUADT-AWEZNQCLSA-N	414.914	5.580	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1	516780763	HPMXWZBOUMQCIZ-UHFFFAOYSA-N	418.459	5.315	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c5c(cccc35)CC4)n2)cc1	517800678	AWKBMHCBEBANDU-NRFANRHFSA-N	410.498	5.561	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)oc1C	518904587	RVIWGFUAKURGRM-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl	519516459	KWUUBJKTURAYGC-SECBINFHSA-N	407.369	5.250	30	20	HKED	
COc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	519989641	DENMKMGHLSYREQ-UHFFFAOYSA-N	415.493	5.456	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(OC)c1OCc1ccccc1	520215607	GHARPABDHYTPDT-GOSISDBHSA-N	402.494	5.005	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCc1nc(-c2cccs2)no1	520828796	ZJIWOGOITJYWTR-AWEZNQCLSA-N	412.540	5.011	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	522529977	KWAPIPFRRQXNHA-PMACEKPBSA-N	418.443	5.466	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(Oc4cnccn4)c3)c2)cc1	522965705	JGCICRCCFYPCJX-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
O=C(Nc1ccccc1OCc1cscn1)c1ccc(C#Cc2ccccc2)cc1	523356601	OJCIPUPHHWKURX-UHFFFAOYSA-N	410.498	5.374	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c(C)c2)n1	523393386	SOPATMJIMWMEQZ-OAHLLOKOSA-N	409.536	5.189	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1	525348071	OUFJSWFEJVWNJM-JKSUJKDBSA-N	406.511	5.619	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1	532863512	UVXBWYICMNGGME-UHFFFAOYSA-N	416.452	5.215	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1Cl	534875368	ZGUREFKCKVKDSC-GOSISDBHSA-N	406.873	5.094	30	20	HKED	
C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1C(F)(F)F	539508285	LJIQWTTYDKYOSQ-MSOLQXFVSA-N	415.503	5.323	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1csc(-c2ccccc2F)n1	539637153	KAHCOMWPGFVANM-UHFFFAOYSA-N	402.454	5.620	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cc(Cl)ccc3-c3nc(C4CC4)no3)cc2)CC1	539656486	YLJHPPANPWIEKC-UHFFFAOYSA-N	404.857	5.075	30	20	HKED	
CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1c(C)noc1C	541120174	OCFMYJVRTYJPIA-QRQCRPRQSA-N	402.498	5.342	30	20	HKED	
CC(C)(C)n1cc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1	544662576	UVHBMVAYMKOQGR-UHFFFAOYSA-N	419.476	5.188	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1)c1ccncn1	544815842	BLANGGGVWOWDSR-GOSISDBHSA-N	414.317	5.566	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3cccc(C(F)F)c3Cl)CC2)c(F)c1	552162192	IFFZYEGNZPKHHX-UHFFFAOYSA-N	407.823	5.143	30	20	HKED	
O=C(CC1(C(F)(F)F)CC1)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	553952873	PIGMDQUYKYVHTA-UHFFFAOYSA-N	422.300	5.703	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2cccc(OCc3ccccc3Cl)c2)CC1	554558912	NDZNHQIXAYJLDD-UHFFFAOYSA-N	417.940	5.371	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1	555259331	ZPBNEGGWCDZKGU-IIBYNOLFSA-N	419.554	5.030	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Cl)c4ncccc34)cc2)ccn1	558559215	HIJJYMSHZUVZEN-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	563760718	WUYBKTNASBXHEG-WMZOPIPTSA-N	413.521	5.295	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1	571345174	PADIOCLYQQZYBX-UHFFFAOYSA-N	416.333	5.301	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c(Cl)c1	589958368	XZKMUQQTLMNPER-UHFFFAOYSA-N	418.255	5.165	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	603681780	FPHIHSHUUCAYOJ-MRXNPFEDSA-N	420.538	5.275	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@H]1c1ccc2c(c1)OCCO2	603837895	GCFTVPNMVFAGIR-KRWDZBQOSA-N	409.848	5.012	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1	604009612	SUXVDAORCOSQJL-QFIPXVFZSA-N	424.422	5.561	30	20	HKED	
COc1cccc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609060494	GALOIUOXJIAZKK-UHFFFAOYSA-N	418.518	5.185	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(NC4CC4)nc3)cc2Cl)c1	609073076	WYXBFQZPFWOWMY-UHFFFAOYSA-N	418.884	5.012	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(-c4ccccc4)n3)c2)cc1	609175978	SVJGVKMJXQUPLL-UHFFFAOYSA-N	411.486	5.655	30	20	HKED	
N#Cc1ccc(F)c(CSCc2nc(-c3cc(Br)cs3)no2)c1	609238138	VZJXMJUWPCFBGG-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1C(F)(F)F	609398862	ZKCGIJVQCNOJSJ-KGLIPLIRSA-N	407.461	5.840	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](CC)c1ccccc1	609438575	PRUAWMNLCJASAI-WIYYLYMNSA-N	423.582	5.409	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N)CCC2	609555411	JEZGQSKPASQILP-SUMWQHHRSA-N	400.573	5.245	30	20	HKED	
Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)o1	610015855	TTXVEROZEVVGLU-NRFANRHFSA-N	416.481	5.796	30	20	HKED	
N#C[C@@]1(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCSC1	610196900	LQTXENWRLQUZNR-IBGZPJMESA-N	423.390	5.415	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)c2cnn(C(C)C)c2n1	610361752	GWTWERLYZMZVOT-GOSISDBHSA-N	423.520	5.350	30	20	HKED	
Cn1c(C(C)(C)C)nc2cc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)ccc21	611190752	RZUKLBFGCWRTOI-UHFFFAOYSA-N	401.297	5.302	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N3CCC[C@](C)(C#N)C3)cc2Cl)n1	612305815	VVEFRVOFYXBYLR-GOSISDBHSA-N	406.964	5.414	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nc2cc(Cl)ccc2s1	613407051	FWNBLIHOWUVJHQ-MRXNPFEDSA-N	418.909	5.503	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2ccc(OCC)cc2)n1	615971463	KTWKLGXWGKNUDY-UHFFFAOYSA-N	410.514	5.105	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	619680219	PYLXLNAFOBKMOK-LJQANCHMSA-N	402.972	5.950	30	20	HKED	
C[C@H](OCc1ccc(F)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485704	VWJCVOKICKOLOV-MEDUHNTESA-N	423.328	5.169	30	20	HKED	
O=C(Nc1cc(C(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	676134915	GEPGLDDXMXVZHC-IUCAKERBSA-N	424.719	5.872	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	682554507	VJKQGUYTKGVXQM-LLVKDONJSA-N	404.301	5.535	30	20	HKED	
COc1ccc(C(=O)/C=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1NC(C)=O	726740329	BZZZFYAHDPMAGN-HWKANZROSA-N	418.276	5.175	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3SC(F)(F)F)o2)cc1	727990282	QXSDGVIFOYOEHC-UHFFFAOYSA-N	418.396	5.594	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCC[C@H]1c1ccccc1C(F)(F)F	728121329	FYUBVWDBPWNHKI-INIZCTEOSA-N	420.328	6.232	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)c1	728479524	YCBBENBJCYXVCG-UHFFFAOYSA-N	415.518	5.525	30	20	HKED	
CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1	728849903	HHGDCGZQFUMTKC-ZZEZOPTASA-N	424.548	5.211	30	20	HKED	
Cc1cc(COc2ccc(/C=C3/CCOc4ccc(F)cc4C3=O)cc2)oc1C(=O)O	729936696	GBOUHPRRNTWMCP-WJDWOHSUSA-N	422.408	5.053	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccoc1COc1ccc(C=O)cc1	731640347	MJLZHSBRMYTDMJ-INIZCTEOSA-N	420.490	5.318	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2ccco2)c1	733773054	MSAJILORUPJMLW-GOSISDBHSA-N	406.507	5.183	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2SCC(F)(F)F)c1	733842854	CBADRCRGBDOCNS-HNNXBMFYSA-N	423.460	5.344	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Oc3ccccc3)c2)c1	733844183	HJYCFIURLXAILB-FQEVSTJZSA-N	401.466	5.482	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C)c1ccncc1	734669625	SAABWECGGRHQQG-PXNSSMCTSA-N	406.555	5.500	30	20	HKED	
CCCN(C)c1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	735910692	BTPIZAFCTZQZDI-INIZCTEOSA-N	417.456	5.651	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccnc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	741111229	IRASWYFJNADYHP-BIENSFFJSA-N	423.419	5.753	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc(SCC(F)(F)F)cc1	741842517	LUIUTANCSUTQLU-IZZDOVSWSA-N	400.425	5.694	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1	742056487	DKLCVQKHLPIORZ-UHFFFAOYSA-N	411.933	5.584	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCSc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	744034669	JTVALBZRRJTVDJ-IAGOWNOFSA-N	410.951	5.919	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744062738	KAUBCGFRWVCWSE-ISBHARSQSA-N	413.424	5.504	30	20	HKED	
Cc1cccc2sc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)c(Cl)c12	744639198	RPFSRCJFIURWIC-UHFFFAOYSA-N	409.854	5.142	30	20	HKED	
CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc(SC)c(OC)c3)c(=O)oc2c1	746341489	ANQNNARVEOGWIN-YRNVUSSQSA-N	423.534	5.266	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1	747108727	QFNQVEYYJYFFIA-GUYCJALGSA-N	417.336	5.569	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2cc(F)ccc12)c1nc2cc(C(F)(F)F)ccc2s1	749024476	BHBITZDEXSTHMJ-CQSZACIVSA-N	418.371	5.619	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2ccc(F)cc2)ccc1OC	749132685	UUTLYLQVGVPJRP-RCZVLFRGSA-N	404.485	5.394	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)COc2ccc(-c3ccccc3)cc2C=O)c1C	749455552	BEXYIDWCIGSIRY-UHFFFAOYSA-N	412.489	5.109	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(C)c(C)c2)cc1	751014579	PXIBXWDCBLXGIF-UHFFFAOYSA-N	403.507	5.785	30	20	HKED	
CCCN(C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@H](C)c1ccccc1OC	752303865	CLJRNRAJPPWNTD-MRXNPFEDSA-N	424.501	5.140	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Cc3ccccc3Cl)n2)cc1	754531884	XGQNTUSUJGGAPD-KDOFPFPSSA-N	410.926	5.527	30	20	HKED	
C#CC[C@H](NCc1cc(Br)c(OC(F)F)c(OCC)c1)c1ccccc1	756995187	DIYQCTRJIBIEGI-KRWDZBQOSA-N	424.285	5.303	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(F)cccc3C2)cc1Cl	757881047	XTMRUQLXARGYHR-OAQYLSRUSA-N	419.887	5.725	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)c1ccc(CC#N)cc1	758687963	DDPHUTSPDMTXOF-UHFFFAOYSA-N	412.917	5.107	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(C(C)(C)C)s1	759719817	NMRHBUUPKJPORP-CYBMUJFWSA-N	405.614	5.566	30	20	HKED	
N#CCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cc1	759769279	QYIANVIIZQTJFP-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CCO2)c1	762293128	DOBUOFWRQMHDDX-INIZCTEOSA-N	417.317	5.293	30	20	HKED	
COc1ccc(CN(Cc2ccc(OC)cc2)Cc2ccc(O[C@H](C)C#N)cc2)cc1	769333072	NHLKZEUNYNVHSJ-HXUWFJFHSA-N	416.521	5.197	30	20	HKED	
CC[C@H](C)Oc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccn1	777565118	IXAJMZUCBFHGKC-FDDCHVKYSA-N	414.509	5.236	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1	780310355	YTUQBTWVNYVILB-AMHTUMDSSA-N	404.510	5.055	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(C3CCCCC3)c2C)cc1	781449150	RZAYJPIIOLCILF-IERDGZPVSA-N	406.530	5.171	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(-c2cccc(C#N)c2)cc1	782612002	GWTLZDIDQOTGFA-MSOLQXFVSA-N	410.477	5.399	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1ccc(Cl)nc1)c1ccc(-c2cccc(C#N)c2)cc1	782753677	LVRJGKGILMCEPG-MRXNPFEDSA-N	404.901	5.176	30	20	HKED	
N#CC[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1	796670478	MOCBPJBCQPLDRN-HOTGVXAUSA-N	407.445	5.352	30	20	HKED	
CC[C@@](O)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	800415275	NBXUKQXRCHGTOD-VWNXMTODSA-N	404.897	5.232	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	802043145	RISJPWNUJMCBKS-VGSWGCGISA-N	412.489	5.130	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1	804563349	VZJNFYJUTAVVOJ-HSZRJFAPSA-N	420.896	5.195	30	20	HKED	
C=CCc1cc(CN[C@H](C)c2csc(-c3ccccc3F)n2)cc(OC)c1OC	812723401	LZCINYBZDFFBOH-OAHLLOKOSA-N	412.530	5.546	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)ccc21	817318606	DJIHSAFULRKVMK-OAQYLSRUSA-N	419.525	5.149	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SC3CCCC3)cc2)ccc1OCC(=O)O	914703183	QAIIZJBZUFPVLQ-SDQBBNPISA-N	412.507	5.089	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3cccc(OCC#N)c3)c3c(C)noc3n2)c(C)s1	916410089	WYRGWRXVJPPQTM-UHFFFAOYSA-N	418.478	5.031	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccccc2)c2ccccc12	916546806	GYYIZBUNYRAWSH-OWBHPGMISA-N	407.473	5.522	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc2cc(Cl)ccc2c1Cl	916908781	INRCITUTTOMGMH-LLVKDONJSA-N	423.708	5.823	30	20	HKED	
N#C[C@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc(-c2ccccc2)cs1	917026301	YLNQRBRDSAYTRX-JOCHJYFZSA-N	424.525	5.656	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2o1	917510128	PKNNVKCJXRIMKV-VBROQKIQSA-N	424.300	5.755	30	20	HKED	
N#Cc1ccc(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1	917935128	RBRHXVOOVYRINX-NRFANRHFSA-N	409.411	5.047	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CC)c3ccccc3)C2)CC1	1809013856	YBEMJJMULRGFPO-RPWUZVMVSA-N	422.613	5.180	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1824142000	BZAJAGXNBHDUJJ-RPWUZVMVSA-N	412.618	5.121	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCC2)CC1	1828827036	GWCUVCADDLOHQX-SILAICFJSA-N	412.618	5.121	30	20	HKED	
CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1	1831464053	ABFOJMSYJZCVSY-GBXCKJPGSA-N	423.601	5.008	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832489342	TZQVVKKQLODIEF-DHIUTWEWSA-N	414.634	5.201	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccccc1	10174360	DRVMTJLVBAUVCT-UHFFFAOYSA-O	403.571	5.711	30	20	HKED	
C=CCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nnc1-c1ccc(F)cc1	10498726	DIPAIBCXOTYCNG-UHFFFAOYSA-N	410.518	5.124	30	20	HKED	
COc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)c1	11261418	PGIMBECMKCDTOM-UHFFFAOYSA-O	405.543	5.157	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2n1C(F)F	48053242	XPXPWBBHAOHGSG-UHFFFAOYSA-N	411.481	5.092	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1C#N	108648146	IQBRGQXIZAKEKH-UHFFFAOYSA-N	416.506	5.301	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1	116525315	KRSSXTLQKPHKIP-UHFFFAOYSA-N	414.461	5.269	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)c1	195662281	IEXUZVGOFWTVSF-SFHVURJKSA-N	416.531	5.056	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2S[C@@H](C)C#N)cc1	206778534	NTOVVWRPJPHIPQ-SGPNVBEDSA-N	416.333	5.691	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F	210060087	BZEJYYGXOVIKHB-CLFYSBASSA-N	415.348	5.361	30	20	HKED	
COc1cc(/C=C\C(=O)c2cnn(C)c2)ccc1OCc1ccc(Cl)cc1Cl	210858619	UQPATJUTOZNAOB-CLTKARDFSA-N	417.292	5.211	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1F	218653392	GBOUGNVCJHXUKH-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSc2ccc3ccccc3c2)cc1	302924872	BZPJEGKXYVUWCX-UHFFFAOYSA-N	414.452	5.395	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3ccccc3)cc2)nnc1-c1ccncc1	409900552	WSQYGYHZEITBTQ-UHFFFAOYSA-N	414.534	5.397	30	20	HKED	
C=CC[C@@H](CC)NC(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12	410122825	NOHMEAFBKIAYIN-QGZVFWFLSA-N	406.526	5.256	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1Cl	410136025	HOJACQJSHNNKDY-LJQANCHMSA-N	420.856	5.225	30	20	HKED	
C=CCc1cc(CN[C@H](CCC(=O)O)c2ccc(Cl)c(Cl)c2)cc(OC)c1O	426792327	IXHVWVCFLRXQKB-GOSISDBHSA-N	424.324	5.132	30	20	HKED	
CCCn1c(C)cc(-c2csc(NC(=O)c3cccc(SCC#N)c3)n2)c1C	429819056	HGNQJJPVBYXBQC-UHFFFAOYSA-N	410.568	5.506	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(OC(F)F)c2ncccc12)c1ccccc1	432917048	ZCMRAMQPHYJYKL-QGZVFWFLSA-N	410.424	5.393	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C#N)c3cnn(C(C)C)c3n2)cc1	433968250	PXIBCHPHSHGZFB-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccnc2)C2CC2)cc1F	438644170	BORHYRNQNPRIRW-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438644369	AHVXRWMBSHDILN-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)c(Cl)c1	438893892	KEYRYJGEOXSKLS-UHFFFAOYSA-N	412.927	5.465	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCCC4(CCCC4)C3)c2)cc1	446224203	FBOYQRVUHHGNID-UHFFFAOYSA-N	403.526	5.520	30	20	HKED	
COc1ccc(CN2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)cc1C#N	447069899	URJAXTYRIWIRFS-SFHVURJKSA-N	419.550	5.079	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	460152476	SUSBLKKOESMSNR-UFRUDQCGSA-N	406.913	5.140	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1	462844974	KCXHHBGOXFFYQC-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)[C@@H](C)c2cccc(C#N)c2)C(C)C)cc1	464057037	MHRWRNSGDZGYIW-FQEVSTJZSA-N	412.533	5.775	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1Cc2cc(Br)ccc2O1	471157513	SBPHZBXGAUIPRY-LJQANCHMSA-N	400.316	5.243	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1N[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	471380146	DGCOMCAWQDOZGA-LBPRGKRZSA-N	417.296	5.875	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC(C)C)c1	474969998	QOLHDBLPDGGUNE-HNNXBMFYSA-N	400.887	5.236	30	20	HKED	
Cc1sc([C@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)nc1-c1ccc(Cl)cc1	476299282	JEEKRNWVPJXMKA-HNAYVOBHSA-N	423.969	6.037	30	20	HKED	
COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(OCc2ccccc2)c1	476912233	YPCIGPHRXKGJGO-UHFFFAOYSA-N	400.478	5.328	30	20	HKED	
CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N)CCC2	478808015	YTHIOWBHQAVTFM-PBHICJAKSA-N	414.600	5.641	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	482881342	XTBLNYBSYPHGSX-LJQANCHMSA-N	414.505	5.473	30	20	HKED	
COCCOc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	484550801	YLJFHDMSZPQYSC-AWEZNQCLSA-N	421.305	5.118	30	20	HKED	
N#Cc1cc(NC[C@H]2CCC(F)(F)C2)cc(NC[C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-]	485410578	QNSHCGYOLSQUJE-QWHCGFSZSA-N	414.403	5.161	30	20	HKED	
C=CC[C@H](C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1)c1ccccc1	487764031	SINARSIIOWWXLG-KRWDZBQOSA-N	409.486	5.206	30	20	HKED	
C[C@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)Cc1cc(C#N)ccc1Br	489056230	VSSGVKOOPQXACR-CQSZACIVSA-N	420.372	5.294	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccs1	489412081	KGGALHQBIBHGAN-CYBMUJFWSA-N	418.975	5.274	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)ccc1OCC(F)(F)F	499713829	LMLUONJXMUSBDH-UHFFFAOYSA-N	421.762	5.060	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1csc(C(C)(C)C)n1	499900244	RCEAQDYYAYDEFY-CQSZACIVSA-N	402.589	5.057	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	502589469	RRKRIPWXVNIHEW-UHFFFAOYSA-N	420.856	5.606	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](c4ccccc4F)C3)c2)cc1	504050484	GGJQPINNZZNTKD-SFHVURJKSA-N	401.441	5.511	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)o2)cc1	505348127	FPGHLLQRQUTUDW-KRWDZBQOSA-N	414.292	5.271	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	505964277	ALGHADVQRSSWMS-ULQDDVLXSA-N	412.333	5.209	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cs2)cc1	507005313	HTAHPCUQESBRHU-MRXNPFEDSA-N	403.463	5.230	30	20	HKED	
C[C@@H]1c2cccc(Br)c2CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C	507579301	KAVXXBQTGIRBMP-CYBMUJFWSA-N	415.335	5.028	30	20	HKED	
C=CCn1c([C@H]2CCCO2)nnc1N1CCC(=Cc2cc(Cl)ccc2Cl)CC1	508790474	JXCRSYKCMPIBBE-LJQANCHMSA-N	419.356	5.306	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(C)nc3-c3cccs3)n2)cc1	509899416	LJRDQIRSYSNJKC-OAHLLOKOSA-N	404.520	5.071	30	20	HKED	
O=C(Nc1ccc(CC(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510105857	PMHFSCVKLZLFCX-HNNXBMFYSA-N	408.317	5.746	30	20	HKED	
Cc1cc(CSCCCC2(C#N)CCOCC2)nc(-c2ccc(Cl)cc2)n1	510122177	ZUDZBJPKCCIDNB-UHFFFAOYSA-N	401.963	5.439	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cn2ccnc2)cc1	510239142	HBBYCEHFCYHCIN-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCSc2ccccc21	510345132	DYMMARHJLAAOJZ-QFIPXVFZSA-N	415.518	6.018	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1	518143413	JVIFYQNARJECKF-QGZVFWFLSA-N	421.566	5.709	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccnc(OCc2ccccc2)c1	518143561	MHKZCTLSIFKJPG-KRWDZBQOSA-N	403.507	5.165	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)cc2)c1	518522813	RACGMZNIYOLTNC-UHFFFAOYSA-N	418.403	5.203	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1	520179581	YMPBOSZLAXYEDR-ZDUSSCGKSA-N	406.313	5.134	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1	521153662	HEWWQYMZSGQOPM-HNNXBMFYSA-N	416.955	5.225	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CCCCOc1cccc(C(F)(F)F)c1	523534898	UVZVLFGNTYDALX-UHFFFAOYSA-N	400.404	5.003	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1	523885011	FJZKUHCUQQJZGG-UHFFFAOYSA-N	423.944	5.094	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1(c2ccccc2F)CC1	524076197	JLWPLEJXMWJVBV-UHFFFAOYSA-N	401.441	5.609	30	20	HKED	
CC(C)C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)N[C@H](C)c1ccccc1	524257784	BLFRIVMKFFFNIA-XXBNENTESA-N	406.574	5.375	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1	531310178	MILKVYSUZGXXMW-UHFFFAOYSA-N	414.852	5.489	30	20	HKED	
N#CCC[C@@H](NCc1cnc(-c2ccc(Br)cc2)s1)c1ccccc1	532785721	ZHXRPJLPNLCZEQ-LJQANCHMSA-N	412.356	5.707	30	20	HKED	
CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(Oc3ccc(C#N)cc3C)cc1)CC2	533737758	CBWVRXJGMAAPOW-UHFFFAOYSA-N	424.500	5.103	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2ccoc2)c1)c1nc(-c2c(F)cccc2F)cs1	534839649	NHGUYNGSLVQMSN-INIZCTEOSA-N	406.413	5.838	30	20	HKED	
CSc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccn1	536816480	NRTWOOLSMQGJGX-LJQANCHMSA-N	422.941	5.434	30	20	HKED	
C=CCn1c(SCc2cnoc2C2CC2)nnc1-c1ccc(Br)cc1	536897771	OQJLOYUTRQSKMQ-UHFFFAOYSA-N	417.332	5.051	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NCCCC2(C#N)CCOCC2)cc1	538611613	MYYGIIVYPBDNAE-UHFFFAOYSA-N	419.569	5.749	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1-c1cccc(Cl)c1	538631934	TYRLGUZESDMXBP-LEWJYISDSA-N	419.916	5.138	30	20	HKED	
CN1CCC2(CC1)C[C@H](NCc1ccc(-c3ccccc3C#N)cc1)c1ccccc1O2	539407272	UQQZVJGFHYPNDD-SANMLTNESA-N	423.560	5.303	30	20	HKED	
CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1c(Cl)cccc1Cl	540104594	XRRMYVHSJSQEED-UHFFFAOYSA-N	411.288	5.721	30	20	HKED	
N#Cc1cc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)ccc1Cl	541271688	ATVRWOVEAZOPHB-IBGZPJMESA-N	406.873	5.019	30	20	HKED	
C[C@H](c1nnc(SCc2ccc(CC#N)cc2)n1-c1ccccc1)N1CCCCC1	543142361	BHSMUGVQSIJPNL-LJQANCHMSA-N	417.582	5.173	30	20	HKED	
CS[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(C)(C)C	543291999	BTORVWCKEMIHTM-NRFANRHFSA-N	411.571	5.231	30	20	HKED	
CCCCSc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(C(=O)OCC)cs1	543574371	RSAYTBSOPPCMOO-AWEZNQCLSA-N	422.959	5.355	30	20	HKED	
Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543883257	DPFRGFHUZHQXRQ-KRWDZBQOSA-N	423.476	5.466	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1F	554950251	YAAKBQVWTTXSCR-LBPRGKRZSA-N	412.408	5.256	30	20	HKED	
CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	557084680	ROBXYGODDJLFJO-DEOSSOPVSA-N	413.477	5.128	30	20	HKED	
C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCOCc1ccc(C#N)cc1	564753275	FAOCZZJQCULLHH-HXUWFJFHSA-N	413.521	5.020	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(OCc2ccccc2)cc1	569775542	LQLLVBMPNFUPNH-XPNTWCBSSA-N	418.443	5.028	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)s1	573650088	GZUUHEUKHGCTLJ-LLVKDONJSA-N	405.932	5.086	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	573869490	AXNMHBVCEXJKCV-UHFFFAOYSA-N	405.376	5.021	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	590253243	LOFFLZYJXDGRCE-UHFFFAOYSA-N	419.218	6.134	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	591481315	KWHQBVFUXZOZQP-UHFFFAOYSA-N	405.420	5.388	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2)c(C)c1Cl	592974321	QKFYKUIINOPFEM-INIZCTEOSA-N	424.888	5.381	30	20	HKED	
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	604112851	LMJSWSPJUYBCAR-RBBKRZOGSA-N	423.944	5.115	30	20	HKED	
O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	604961779	FQEYWSXCCZPAHP-UHFFFAOYSA-N	421.312	5.575	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2)cc1	608995803	IFUUXHYIYPSATQ-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)c2cc3ccccc3n2CC#N)cc1	609159357	BBKHOBBYHVUGBR-UHFFFAOYSA-N	411.461	5.608	30	20	HKED	
N#CCN1CCC(NC(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)CC1	609339527	BRALMIGRAZXHAC-UHFFFAOYSA-N	410.521	5.130	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1	609508719	MQLONJBGGKJXSL-UHFFFAOYSA-N	404.441	5.077	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N(C)Cc1ccc(C#N)cc1)c(C)n2C1CCCC1	610195834	RIHRDJYPSMNTBY-UHFFFAOYSA-N	401.510	5.217	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	611160288	OBQJVZLZQCNAHB-UHFFFAOYSA-N	411.421	5.353	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n[nH]c1C(F)(F)F	611184753	MKJFFCKVZBDVNQ-UHFFFAOYSA-N	420.778	5.307	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(F)cc1	613407404	RZEQROAOAOLOMN-HNNXBMFYSA-N	424.888	5.327	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	642281981	YQUJBWQNNCDXHY-SFHVURJKSA-N	421.909	5.302	30	20	HKED	
C=CCn1c(SCc2csc(Br)c2)nnc1-c1ccc(F)cc1	643093947	HSTGNXPSGUBGPH-UHFFFAOYSA-N	410.337	5.387	30	20	HKED	
Cc1nc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)co1	669960013	DHKZROKXXDBBBF-NSHDSACASA-N	420.231	5.054	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(O[C@@H](C)C#N)cc2)CC3)cc1	728696935	BIARMUKGTPGVFL-LUJRCDHRSA-N	416.502	5.322	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1	729036382	OZSHFXQQFLZHDJ-PKTZIBPZSA-N	424.529	5.710	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1cc(C(F)(F)F)ccc1F)C(=O)c1ccccc1	733207492	ZCUJOLTVZUYPGX-PDGQHHTCSA-N	414.358	5.145	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3csc(C)n3)cc2)c1	733843427	OWPHHZHJRLCKCX-LJQANCHMSA-N	406.511	5.121	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(Br)c1	734082949	JPGYHEUCQOHZNI-AWFCHZOYSA-N	424.323	5.166	30	20	HKED	
COc1ccc([C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C2CC2)cc1	740025502	HJJXIMZPTLMVKK-HSZRJFAPSA-N	417.534	5.246	30	20	HKED	
COc1ccccc1CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CC1	740482857	GALWHDRHOCGUAO-UHFFFAOYSA-N	417.534	5.170	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc3ccccc3n2)c1	741462862	XCOAYKPPLUZWNK-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
C[C@]1(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCc2ccccc2C1	744038447	VBMPEUKXHBDPER-KKSFZXQISA-N	414.452	5.687	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1OC(C)C	744444644	YIICYRSKXHYCLY-HNNXBMFYSA-N	413.449	5.092	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)c2)cc1	751187487	BOENAKKWYAXGOQ-DENIHFKCSA-N	418.518	5.140	30	20	HKED	
CCn1nccc1/C=C1/CCc2nc(-c3ccccc3Br)sc2C1=O	753718309	WLWVOQLEBVBTTN-QXMHVHEDSA-N	414.328	5.002	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	762907865	IVZGWLSMEOEKBG-QGZVFWFLSA-N	417.123	5.340	30	20	HKED	
CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C12CCC2	764057070	YNMFLXJMWPBHTJ-XPWALMASSA-N	403.526	5.153	30	20	HKED	
N#Cc1cc(NC(=O)c2cccc(OCc3cccs3)c2)c(Cl)c([N+](=O)[O-])c1	764303717	PDOMUQMRBMRLTR-UHFFFAOYSA-N	413.842	5.013	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(OC(C)(C)C)CC2)c1=S	765083874	UQTJFPNHDDINPD-UHFFFAOYSA-N	421.010	5.157	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ncccc1O[C@H](C)c1ccccc1	771820100	KFUGBIBSCXOPBO-IAGOWNOFSA-N	402.454	5.156	30	20	HKED	
Cc1ncsc1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	777298135	WEUCYXYOPIPIPY-ZFDPJTLLSA-N	420.346	5.772	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)ncc3Cl)c2)cc1	780382231	BVBOSBYNBQQUBD-UHFFFAOYSA-N	412.276	5.286	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	784618944	FGSKFUZNYDCTFV-OAQYLSRUSA-N	421.946	5.348	30	20	HKED	
COC(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccsc1	788400930	MTWVIBDADCJURN-FQEVSTJZSA-N	412.898	5.178	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1	792886354	KCJGVWHKCOTFBQ-TWGQIWQCSA-N	418.802	5.721	30	20	HKED	
N#C[C@H](C(=O)C1(Cc2ccccc2Br)CC1)c1ccc2ccccc2n1	796716010	VCYCPJCQBIHTRX-KRWDZBQOSA-N	405.295	5.196	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)cc1	796904647	MTTQOOFKHULLMP-FXAWDEMLSA-N	408.498	5.265	30	20	HKED	
C=CC[C@@H](OC(=O)Cc1cc2ccccc2nc1O)c1ccc(Cl)c(Cl)c1	797566723	RZAZZZPZTNXHLQ-LJQANCHMSA-N	402.277	5.650	30	20	HKED	
C[C@H](CCOCc1ccccc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	806200419	CZUBVIKLYBSATC-CJFMBICVSA-N	413.521	5.459	30	20	HKED	
CON=Cc1ccc(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1	809533290	ZEQKUVRARKPWQS-UHFFFAOYSA-N	414.343	5.058	30	20	HKED	
COc1cc(N[C@H](C)c2cccc(C#N)c2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC	864003066	AVKIWUIGTHKJJY-OKZBNKHCSA-N	421.541	5.152	30	20	HKED	
Cc1nc(NN=C2C(=O)Nc3c(C)ccc(C)c32)c2cc(-c3ccccc3)sc2n1	914771818	IBLHTIAFWGBGPY-UHFFFAOYSA-N	413.506	5.052	30	20	HKED	
Cc1sc2ncn(N=Cc3c(O)ccc4ccccc34)c(=O)c2c1-c1ccccc1	916283578	IPSDDQDJUPLXIW-UHFFFAOYSA-N	411.486	5.174	30	20	HKED	
Cc1ccc(CCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916908158	LSIIJGMGKCIPBB-QFIPXVFZSA-N	412.489	5.458	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccccc3)s2)cc1	916951519	YQWSXYIEQQYGSO-KXBFYZLASA-N	403.507	5.285	30	20	HKED	
CCOC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	917774037	HIMPGHVXWJGASR-UHFFFAOYSA-N	417.490	5.206	30	20	HKED	
N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1-c1ccccc1CC2	917775148	XWZRZGZQAOFRHV-UHFFFAOYSA-N	409.854	5.199	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCc1ccccc1	918433563	DKGXHTDWUIDVPU-UHFFFAOYSA-N	416.546	5.132	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1=S	919942381	VXROGCOCABCXDJ-LJQANCHMSA-N	411.550	5.136	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12	920018178	VFGPXMSRYLOTRL-UHFFFAOYSA-N	424.456	5.291	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1-c1ccccc1	1625923970	ZUEYBKGGTVHVGQ-UHFFFAOYSA-N	422.444	5.074	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1	1791253375	DCYHOLAMDUWKMU-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](C)c3ccccc3)cc2)CCC1	1791339808	NZRMEPSXXNWVCV-FQEVSTJZSA-N	402.538	5.118	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1c(C)cccc1C	11153793	NWENYOIOYNAGDE-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CCc1cccc(C)c1NC(=O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	60569117	FOYQPAHDSGKEDC-UHFFFAOYSA-N	415.512	5.209	30	20	HKED	
N/C(=N/OCc1c(Cl)ccc2cccnc12)c1ccc(Oc2ccc(F)cc2)nc1	110177158	SOOWVZSTUWDZAR-UHFFFAOYSA-N	422.847	5.052	30	20	HKED	
COC1CCN(c2ccc(Nc3snc(Cl)c3C#N)cc2C(F)(F)F)CC1	301946050	BPTAJAZJEWEIGL-UHFFFAOYSA-N	416.856	5.046	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl	303518577	PTSAPQKAKWTGFF-DZKIICNBSA-N	413.226	5.497	30	20	HKED	
Cc1c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)sc2ccc(C#N)cc12	429892676	VRBMZZXTQNCQLD-UHFFFAOYSA-N	422.937	5.470	30	20	HKED	
CC(C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1F	432900349	MWMOHGZTJILMPA-UHFFFAOYSA-N	417.484	5.528	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(C(F)(F)F)c1	433143443	ZAVIVRPMVYSAIS-LJQANCHMSA-N	419.447	6.049	30	20	HKED	
N#CCCn1cc(CNc2ccc(COCc3ccccc3)cc2)c(-c2ccncc2)n1	433326158	JXGVWKXLISVLBA-UHFFFAOYSA-N	423.520	5.188	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1	433975442	GHPGGXZSDHBJIF-CQSZACIVSA-N	406.473	6.173	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1C#N	434566094	LORVWQLMDRDLEA-UHFFFAOYSA-N	409.942	5.135	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2c(Cl)ccc3c2OC(C)(C)C3)cc1	435329659	QOCRXWOBOABIFD-UHFFFAOYSA-N	414.893	5.005	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1sc(-c2ccccc2Br)nc1C	436296736	KUISAIVKGHCMJQ-XUWXXGDYSA-N	421.404	5.513	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C)cc1	438186217	GABPWVCLWISGQR-KRWDZBQOSA-N	413.477	5.338	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c(C(F)(F)F)c1	439379545	AVLWTXRCOYDYML-SFHVURJKSA-N	405.420	5.659	30	20	HKED	
N#Cc1ccc(COc2cccc(NC(=O)c3cccs3)c2)c(OC(F)F)c1	439544004	BWZNIBKPKPVUJC-UHFFFAOYSA-N	400.406	5.052	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N(C)Cc1cccc(F)c1	439677246	XCHFFCKNIPHBJF-INIZCTEOSA-N	421.447	5.088	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCO[C@@H](c2ccco2)C1)c1ccc(C(F)(F)F)cc1	441535950	RLIJBZKJJDCHEC-IEBWSBKVSA-N	408.420	5.089	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(F)c(C(F)(F)F)c1	442831588	AYOUODSWONCXBU-LBPRGKRZSA-N	412.408	5.256	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1	444033210	QVXNNAOQUDHHOC-UHFFFAOYSA-N	416.525	5.116	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)c(F)c1	446316264	SUOHCHRVNNEKSK-UHFFFAOYSA-N	418.325	5.246	30	20	HKED	
N#C[C@H]1N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCC[C@@]12CCCCO2	447910397	FMHOBXAMXUJNPT-QUCCMNQESA-N	421.488	5.256	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	461930810	FKSPAJRQLLCPMW-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
COc1ccc(CN(C(=O)[C@@H](C)c2cccc(C#N)c2)C2CCCCC2)cc1OC	463308987	SCSUWPKFUBGJSD-SFHVURJKSA-N	406.526	5.040	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(-n2cccn2)cc1	464994633	VMPLLXCXHDPUDI-GOSISDBHSA-N	408.461	5.027	30	20	HKED	
C=CCCN(C)C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1	466581112	JDCSJDLOSIHTGJ-UHFFFAOYSA-N	411.571	5.389	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NCc2ncoc2-c2ccccc2)cc1	467606528	VCAPNNPFNWZIFN-UHFFFAOYSA-N	411.486	5.294	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)co2)cc1	467715777	XUHCVFZQPGLODO-UHFFFAOYSA-N	424.460	5.636	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(OC(F)(F)F)c1	468977085	KFMAGUNQAMXYJL-OAHLLOKOSA-N	417.431	5.341	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)Nc2ccn(CCC#N)n2)c(C(F)(F)F)c1	470359425	OXHMLEBWRFKKGA-GFCCVEGCSA-N	411.453	5.350	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	471251756	RZFLTIABMGEZCW-LRDDRELGSA-N	423.822	5.809	30	20	HKED	
CC(C)(NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(OC(F)(F)F)cc1	473730438	ANIYGORRXSMLJW-SFHVURJKSA-N	405.420	5.165	30	20	HKED	
CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1	475760956	HHSQZAXIIAUBAV-UKRRQHHQSA-N	400.466	5.245	30	20	HKED	
CC(C)Oc1ccc(Br)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	476442465	KIBIPPUWMPNOQS-MRXNPFEDSA-N	401.304	5.262	30	20	HKED	
COCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(C)o1	477556176	DVSJKQDMPLHDBX-NRFANRHFSA-N	405.454	5.151	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@@H](C#N)c1ccccc1Cl	477669327	ZFWKVXPZYCNNOD-INIZCTEOSA-N	403.841	5.045	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	478664839	BWSPUIMNISEJJI-ACJLOTCBSA-N	403.910	5.091	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	479932731	SGGPVQGKMXKMKV-UHFFFAOYSA-N	405.951	5.606	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1	481064336	VHTYLRMVAQUGEV-UHFFFAOYSA-N	414.918	5.549	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccccc1Cl	483323933	JSAROTHOLPDISB-LSDHHAIUSA-N	403.935	5.323	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C(C)C	484293265	KDYFCTFTKJAJEC-UHFFFAOYSA-N	423.439	5.263	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	487318807	FCSQYHQNGWYHMS-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
CC(C)CCn1ncc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C(C)C	487599956	DSTGQNXGSXORIT-UHFFFAOYSA-N	405.546	5.245	30	20	HKED	
COc1ccc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C	487877028	RODTYBNBOZYCRE-UHFFFAOYSA-N	416.546	5.440	30	20	HKED	
N#Cc1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)ccc1Oc1ccccc1	490503676	UBMRFJPEECLEDA-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccco1	494051606	VPMVUGOVSIUXSL-KSFYIVLOSA-N	421.522	5.451	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1ccc(C(F)(F)F)cn1	495299414	OLAVMXHYEBZFQV-OAHLLOKOSA-N	423.822	5.350	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)c(Br)cc1F	497442695	RIXKBIRULWNGKR-UHFFFAOYSA-N	422.254	5.025	30	20	HKED	
CCCN(CCc1cccc(F)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	500670471	XRNOUIMCJYUFRU-UHFFFAOYSA-N	422.529	5.231	30	20	HKED	
C=C(C)CN1CCC(NC(=O)[C@@H](Oc2cccc(C(C)C)c2)c2ccccc2)CC1	500747153	CGJHOKRSPOBNTL-VWLOTQADSA-N	406.570	5.087	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(OCCCC#N)c2)ccc1Oc1cccnc1	502583525	BFTVHLKMJMXIAE-UHFFFAOYSA-N	402.454	5.509	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc(C)nc21	505338318	OLKRWXYOSOJEEF-PXAZEXFGSA-N	416.312	5.012	30	20	HKED	
Cc1nc(NC(=O)c2cc3cc(Br)cc(C)c3o2)sc1SCC#N	506977118	FJNJQCUPLPTCTJ-UHFFFAOYSA-N	422.329	5.137	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC1CCC(C#N)CC1	508375455	LHHHZKHEHRLLKP-FHERZECASA-N	417.962	5.063	30	20	HKED	
O=[N+]([O-])c1cc(F)c(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	509006625	KSQQWFGVVLSQOZ-CQSZACIVSA-N	414.252	5.285	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510323830	OAYWHIJOMWJPSB-UHFFFAOYSA-N	419.912	5.697	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C)c1ccc(C#N)cc1	515552456	KSYRGZZWCBAGHD-CQSZACIVSA-N	423.925	5.325	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1	515756392	BGZZXMHGSDCVEE-KRWDZBQOSA-N	419.912	5.538	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)o1	517443763	BAVMMNHGLJPUHN-CYBMUJFWSA-N	419.959	5.147	30	20	HKED	
Cc1nn(C)c2sc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc12	517461478	ITDJZZZKNCDLBV-UHFFFAOYSA-N	424.473	5.220	30	20	HKED	
C=CCn1c(=O)c2ccccc2n2c(S[C@@H](CC)c3ccc(Cl)cc3)nnc12	519068120	BUKAAUVEDJJVEM-SFHVURJKSA-N	410.930	5.127	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc2ccccc2[nH]1	519516648	WVPOCROFOFHWSO-CABCVRRESA-N	410.568	5.390	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1	521507304	BRUAGUGGUNTAAY-KRWDZBQOSA-N	414.292	5.514	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C	523528010	CZLOLVXHSGQNRM-WOJBJXKFSA-N	424.426	5.122	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@H](CC(F)(F)F)c1ccccc1	523590799	DPEIMPQABKGEEB-OAQYLSRUSA-N	409.411	5.297	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2cccnc2)C2CC2)c1	523887650	XIZSCMSRHPPMQS-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	524207195	YBTSLYIYKBHKSP-QGZVFWFLSA-N	404.539	5.438	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)oc2ccc(F)cc12	524388209	PPSGCIVLVWJNNU-UHFFFAOYSA-N	400.409	5.583	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F	525032001	HUMIQJWQNISTAA-IRLDBZIGSA-N	418.443	5.466	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1	532701836	ZOLGRXLZCSSXCN-QMHKHESXSA-N	411.546	5.289	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1-c1ccccn1	532852764	XCHWKMAQEKOFME-IBGZPJMESA-N	411.486	5.371	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2ccc(SCCCO)cc2)c1	532891802	JENQNBRFAMAMOX-UHFFFAOYSA-N	404.535	5.224	30	20	HKED	
Cc1ccc([C@H](N[C@@H](C)c2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1	537305077	BDNBJVGFNORCMK-UQBPGWFLSA-N	418.562	5.019	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccc(C(F)(F)F)cc1	538229942	NIRSTZNQPNGQPD-GOSISDBHSA-N	421.850	6.206	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2cc(C)n(CCC#N)n2)cc1	538614615	HDKLJXZKXMRUGK-SFHVURJKSA-N	417.513	5.006	30	20	HKED	
COc1cccc(C=C2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1	538803707	TUQSPHFABDPBQY-UHFFFAOYSA-N	412.537	5.152	30	20	HKED	
CC[C@@H](C)n1nc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C	539458615	LSHBKKFZWFUDTM-QGZVFWFLSA-N	419.504	5.408	30	20	HKED	
N#CCC1CCN(C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC1	541050615	CVOYPHQLNUEQOY-HXUWFJFHSA-N	403.309	5.266	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCSc2ccc(Br)cc21	543479566	ATSLQCYFNHWOLT-INIZCTEOSA-N	421.747	5.283	30	20	HKED	
C[C@H](N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1	543921257	HHTZSIJLTBAZTI-ROUUACIJSA-N	419.550	5.009	30	20	HKED	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	544480778	AVYFMBAKCSIDGO-ZHRRBRCNSA-N	401.441	5.108	30	20	HKED	
C=CCOc1ccc(/C=C/c2nc([C@H](OC)c3cccc(Cl)c3)no2)cc1OC	547181201	PSFVNRUNMWDGPD-FKVRIVCVSA-N	412.873	5.203	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1OCCc2sccc21	553858370	YPABWRZYEAQESJ-IVZQSRNASA-N	420.559	5.203	30	20	HKED	
Cc1ccc(-c2nc3c(s2)[C@@H](N[C@H](CCCC#N)c2ccccc2)CCC3)cc1	556203323	KCGHZZOHCGVZKS-YADHBBJMSA-N	401.579	6.521	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@@H](C)c1nccs1	558998828	BRLQFDOBWOGQRS-QGZVFWFLSA-N	413.616	5.151	30	20	HKED	
N#CCCC[C@H](NCc1ccc(Br)cc1C(F)(F)F)c1ccccc1	569250164	YACNUMOUPGUQEF-SFHVURJKSA-N	411.265	5.993	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c(C)c1	578574980	GVSGBYUWUAMMBA-SFHVURJKSA-N	411.571	5.438	30	20	HKED	
CCO[C@@H](c1noc(/C=C/c2ccccc2C#N)n1)c1ccc(F)cc1C(F)(F)F	589155337	OIVBTJORKHEWNM-QPGLYAHGSA-N	417.362	5.395	30	20	HKED	
Cc1c(C(=O)Nc2ccc(F)cc2C(F)(F)F)sc2nc(C(F)(F)F)ccc12	590252699	JSPDLNXXRVXTBV-UHFFFAOYSA-N	422.325	6.034	30	20	HKED	
Cc1nc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	591618614	IDDUQZBXRNPNFQ-YWAVYKJCSA-N	416.635	5.032	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	607447241	OVUJQROKEJFRFI-UHFFFAOYSA-N	404.963	5.006	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1F	608847401	RZQAHXWJIGGBBG-SFHVURJKSA-N	402.469	5.603	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSC[C@@H]2CCCCO2)cc1Cl	608937938	OVZPFMYRQHWNED-ICSRJNTNSA-N	414.958	5.236	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609046942	MMRZOVSNDPHMJI-OAQYLSRUSA-N	414.465	5.123	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N	609385700	KOTDFSYZPYUHCA-WIYYLYMNSA-N	423.582	5.113	30	20	HKED	
Cc1cccc2sc(C(=O)N[C@H](C#N)c3ccccc3Br)c(Cl)c12	609593128	PPAPABFJNJXFLZ-CYBMUJFWSA-N	419.731	5.620	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)c2)c1	609641404	YBSXNCPGLDDQDC-UHFFFAOYSA-N	412.464	5.206	30	20	HKED	
COC(=O)c1sccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609722295	QOWLWSUXRJHAJM-UHFFFAOYSA-N	412.854	5.104	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCS[C@H](c4ccccc4)C3)c2)cc1	609811065	KCBTZPXEZWTCEO-QHCPKHFHSA-N	415.518	5.673	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ncc(-c2ccccc2)o1	610068315	DLOSCGZLEOHRKI-GOSISDBHSA-N	423.472	5.691	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCNc1ccc2ccccc2n1	610247157	LAADXTDPSOQWLQ-UHFFFAOYSA-N	424.529	5.100	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1cn(C)nc1C	610730428	NTZPFESRGHCXBD-HSZRJFAPSA-N	415.497	5.070	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccccc2SCc2ccco2)n1	611572505	WBHTUKFQTWDOFB-UHFFFAOYSA-N	418.453	5.021	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)C1	612370062	PHBJYWFUPLYDKS-YGMDYZATSA-N	413.546	5.549	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)C1	612374969	ACJPIYQROLAUDL-FPOVZHCZSA-N	403.860	5.043	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	615971807	UQZBXBACVDOSAJ-UHFFFAOYSA-N	413.880	5.067	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc(-c2ccccc2)cs1	642281398	DSEJJZRUXODFGX-HNNXBMFYSA-N	404.882	5.344	30	20	HKED	
O=C(Nc1cc(F)cc(Cl)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	675696362	ZSRFZYVBUOMYOP-VROVMSAKSA-N	406.729	5.510	30	20	HKED	
C[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccc(OC(F)F)cc1OC(F)F	678594634	DVJFAKTZKSQOHY-ZETCQYMHSA-N	415.280	5.297	30	20	HKED	
COc1ccc([C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)cc1	726442891	DFACXMBVDWZHOR-OAQYLSRUSA-N	407.926	5.296	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1	726742668	VFBLFNGYFZWCCC-BWAHOGKJSA-N	422.484	5.405	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)s2)cc1	726911041	FPEYECFLVLQILG-QFIPXVFZSA-N	417.534	5.245	30	20	HKED	
CSc1ccc(C(C)=NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	727058131	IIKQIHSUEQKDLP-UHFFFAOYSA-N	411.552	5.045	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C2\CCc3nc(-c4ccc(C)cc4)sc3C2=O)cs1	727654303	KUVAYFUOTOCNSM-LFIBNONCSA-N	423.563	5.160	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc2ccccc2n1C(F)F	727954746	TXNNIQIPFVDKJO-JXOMPUQVSA-N	421.447	5.642	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3ccccc3C2=O)cs1	728440998	BTALPEDLDASTTL-LGMDPLHJSA-N	404.491	5.185	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1	729572979	MZWPOESFQDIPNG-UHFFFAOYSA-N	408.502	5.349	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccnn3C3CCCCC3)cc2)cc1	731960534	IOJKQUJRPDATQB-UHFFFAOYSA-N	400.482	5.499	30	20	HKED	
C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc2ccccc2s1	734109722	DPAGNJNWULJMMF-MRXNPFEDSA-N	413.502	5.238	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	740807424	MGDISFAFJKMBEA-UHFFFAOYSA-N	400.809	5.149	30	20	HKED	
COc1ccc(CON=C(C)c2ccc(NC(C)=O)cc2)cc1SC(F)(F)F	742353827	SRYXKXLPBSRXHI-UHFFFAOYSA-N	412.433	5.206	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	743093269	QFRXJQYCZVYUKL-UIOOFZCWSA-N	411.549	6.136	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(COc3ccccc3)c2)cc1	743473894	YZYWPEAKUSBLDE-NRFANRHFSA-N	413.521	5.321	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2Br)cc1	746658184	CKBSPDWZJPUTBO-FQEVSTJZSA-N	420.310	5.426	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1	746663499	DQNRVRPZKBSFRC-UHFFFAOYSA-N	412.484	5.127	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4cc(C#N)cs4)nc(O)c23)cc1	748439029	JHBHFAGOQIWTBF-FRKPEAEDSA-N	409.923	6.042	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cnc(-c3cccs3)s2)cc1Cn1cccn1	751512078	AZUORLMLLDHUCJ-SREVYHEPSA-N	407.520	5.021	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc2ccccc2n1C(F)F	757546128	OUQMMWIWZUJMMT-SNVBAGLBSA-N	409.314	5.240	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	757872736	BRBBOOGXTKCJCY-FQEVSTJZSA-N	413.864	5.397	30	20	HKED	
C#CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1	757884018	WMMWMXRMRODPQL-VWLOTQADSA-N	409.489	5.332	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2ccc(C(F)(F)F)s2)nc(-c2cccnc2)n1	761815350	HTWPPVKBLLEAKC-UHFFFAOYSA-N	417.338	5.084	30	20	HKED	
C=CCn1c(C2CC2)nn(CNC2(c3cccc(C(F)(F)F)c3)CCC2)c1=S	764135658	SZKKKISNTGNBJA-UHFFFAOYSA-N	408.493	5.123	30	20	HKED	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	765589988	GVLXPXQPNFFKJA-CZUORRHYSA-N	413.886	5.303	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1	766615062	BSILFALMCFPXCM-SMDDNHRTSA-N	418.241	5.174	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)OC[C@@H](C#N)Cc1cccs1	772737778	XATVBNOAQMPDLN-MRXNPFEDSA-N	412.536	5.185	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(F)c2F)cc(Br)c1OC(F)F	776268047	KLSKLKKYFPXOSV-WAYWQWQTSA-N	419.168	5.233	30	20	HKED	
CC[C@H](C#N)SC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	780330047	PSVMJYMPLHOPAO-BVTUPMQUSA-N	417.943	5.189	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1	780684311	NLZKNPHPHDVZGC-CQSZACIVSA-N	403.404	5.193	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4O[C@@H](C)C#N)cc3)o2)cc1	781034417	GGSCCNMFGNUTHZ-KRWDZBQOSA-N	424.460	5.255	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)cc1	781551550	KUZBCOYRAARIIH-KPKJPENVSA-N	400.478	5.132	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccsc1)C(=O)Nc1ccccc1Oc1ccccc1	783353210	RWAWISLIZJXHOR-LJQANCHMSA-N	404.491	5.211	30	20	HKED	
Cc1nc(CC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(C)s1	786319164	PADHMPGCLCKADC-ATFGOMPUSA-N	411.596	5.103	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CC1CCC2(CC1)OCCO2	788443626	QRHFKGJVALIFCK-UHFFFAOYSA-N	424.928	5.068	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(C)(C)CCC#N	798876749	HIKOZQFQUKGGTK-UHFFFAOYSA-N	406.482	5.510	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1	801755525	QUQKJLFWBKEPLP-HXUWFJFHSA-N	421.541	5.170	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)c1	806228673	GKQXSOQVJGRBCL-XMMPIXPASA-N	402.494	5.019	30	20	HKED	
O=C(/C=C\c1ncc(C(F)(F)F)s1)c1c[nH]c2ccc(Br)cc12	811697766	MUCXFVUAKQGGAN-ARJAWSKDSA-N	401.207	5.302	30	20	HKED	
C=CCOc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1	913366730	UMGFUWNPHJDOOB-SFHVURJKSA-N	401.462	5.102	30	20	HKED	
CC(C)n1ncc2c(C(=O)N3CCCSC3=Nc3ccccc3)cc(C3CC3)nc21	916552647	GAWKWPRHYRDOPK-UHFFFAOYSA-N	419.554	5.156	30	20	HKED	
N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1ccc2ccccc2n1	916848698	NMRFRFHUZXGCKC-IBGZPJMESA-N	421.525	6.104	30	20	HKED	
COc1ccc([C@H]2CCCCCN2CC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	917069715	YHHNHHPHNHTYHK-PZJWPPBQSA-N	419.550	5.098	30	20	HKED	
CCCOc1c(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cccc1OCC	917644074	AADYTHAPMQEJNW-CPNJWEJPSA-N	424.547	5.152	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1	1785840823	JHUCTMBGVJKEFH-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cc(C)ccc2C)cc1	23603739	KOPQMTXCDULSOI-UHFFFAOYSA-O	420.602	5.539	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	45404696	KNJVBZSLKRURRK-UHFFFAOYSA-N	407.901	5.238	30	20	HKED	
N#C[C@@H](C(=O)c1sccc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	64714955	JAKNGSKWLCXFPY-HNNXBMFYSA-N	422.481	6.307	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC	209993082	ARICBLGODRVFNK-BENRWUELSA-N	421.880	5.506	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sccc1-c1ccccc1	303189742	MCIWLVPSWMOJPX-UHFFFAOYSA-N	424.525	6.427	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(OCc3ccccc3C#N)cc1)CCC2	303550055	VVTZJHFVRGAGOX-JOCHJYFZSA-N	417.534	5.052	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1cccc(OC)c1	409528458	PTMRSEJEFYAVDF-CQSZACIVSA-N	421.310	5.056	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	431848103	NGVDMUAWRCNBBC-UHFFFAOYSA-N	402.306	5.478	30	20	HKED	
N#CCCn1cc(/C=C/c2nc3c(ccc4ccccc43)s2)c(-c2ccncc2)n1	432709576	KTGZFXAPXUXQSB-VQHVLOKHSA-N	407.502	5.792	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(CN[C@H](C)c2ccc(C#N)cc2)c1	432777147	CEAQAMQSXVLWBL-WOJBJXKFSA-N	424.548	5.140	30	20	HKED	
COC(=O)[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccc(C#N)c1	434880839	QMMBIDGNJWQNLU-HSZRJFAPSA-N	413.502	5.085	30	20	HKED	
COc1ccc(-c2nc(CSCc3cc(C#N)ccc3OC)cs2)c(OC)c1	434938401	NAUHVOMVIHUYBK-UHFFFAOYSA-N	412.536	5.141	30	20	HKED	
COc1ccc(SCCCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1	436081947	QXOHNSKDZWFYSW-UHFFFAOYSA-N	422.472	5.030	30	20	HKED	
O=C(NCCCC(F)(F)F)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1	438334919	NHSUVECRWZVZOS-UHFFFAOYSA-N	412.252	5.111	30	20	HKED	
Cc1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cnn1CCC(C)C	441564053	KBZOZAALOHLYNE-UHFFFAOYSA-N	406.461	5.293	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)CC2)c1ccc(C(F)(F)F)cc1	442231041	SLSAHMIEQKEHJE-SFHVURJKSA-N	417.431	5.419	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCSc2ccccn2)cc1Cl	445825939	KZJIISAXWDPFCL-IBGZPJMESA-N	407.926	5.511	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1	448289079	HTHAOQWOVMYDCG-UHFFFAOYSA-N	406.433	5.173	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(F)c1F	461104215	WDEPLXZIYPIXAH-UHFFFAOYSA-N	424.378	5.417	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1	464853943	GCOUHIAEFLMJDW-UHFFFAOYSA-N	422.488	5.714	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N[C@@H](c1ccc(F)cc1)C(F)(F)F	465245238	VCSRFOATMWNMOR-HNNXBMFYSA-N	408.317	5.746	30	20	HKED	
C[C@H](CCNC(=O)CSCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1	470015641	PECHITYITWJCBI-OAHLLOKOSA-N	406.473	5.120	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CCCc3cc(Cl)sc3Cl)CC2)cc1	473433149	HTKBSUQMFIUCGO-UHFFFAOYSA-N	423.365	5.319	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1	474443169	BZEGZRZRGSCVCV-HXUWFJFHSA-N	401.491	5.207	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4cccc(Cl)c4)CC3)cc2)nc1	478253528	NPKLONYGGPXJBK-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1	480544431	GKODBVWLAIDPGZ-QFIPXVFZSA-N	409.505	5.038	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccccc3C)n2)nnc1-c1ccccc1C	481341459	NUFIHLGCTVROJY-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
Cc1sc(CNC(=O)Nc2ccc(F)c(C#N)c2)nc1-c1ccc(Cl)cc1	481578383	ZAVAMSJQPJXOMW-UHFFFAOYSA-N	400.866	5.104	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483212574	SCSRNFGHSXSLCY-FQEVSTJZSA-N	413.502	5.622	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N[C@@]2(C#N)CC2(C)C)c2nc3ccccc3s2)c1	484921270	UQPJEHQMLXGWDE-PMILPSSXSA-N	417.534	5.044	30	20	HKED	
C[C@H](NCc1nc(Cc2cccc(F)c2)no1)c1ccc(-c2cccc(C#N)c2)cc1	488246320	CZLRAXMXMRMNLG-KRWDZBQOSA-N	412.468	5.189	30	20	HKED	
N#C[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c23)C[C@H]1c1ccccc1	488771423	VDCOZYPQWSIPOH-MJGOQNOKSA-N	400.482	5.241	30	20	HKED	
Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	499376525	XVDIZCLRPMRTII-AWEZNQCLSA-N	410.930	5.338	30	20	HKED	
N#C[C@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc(-c2ccccc2)cs1	499599499	GUFHMFSGVYPRSQ-GOSISDBHSA-N	415.543	5.542	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCCC(F)(F)C3)c2)cc1	502162514	OSDPJMMNNWJBDO-IBGZPJMESA-N	413.468	5.279	30	20	HKED	
CC(C)Oc1ccccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	502622725	OGRTWAXVFCIRFT-UHFFFAOYSA-N	415.493	5.763	30	20	HKED	
Cc1nc(CNc2ccn(-c3cccc(F)c3C#N)n2)oc1-c1ccc(Cl)cc1	510085866	CGKYOOXSCAAVON-UHFFFAOYSA-N	407.836	5.112	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)n1	513113048	IXAMPOZXUBRJMH-FQEVSTJZSA-N	403.461	5.032	30	20	HKED	
N#Cc1c(NC(=O)Cc2ccc(C(F)(F)F)cc2)sc2c1-c1ccccc1CC2	515627450	IHQIXRFVQZSCFY-UHFFFAOYSA-N	412.436	5.585	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2Cl)cc1	515723209	SEDQKSQUGQYDDG-UHFFFAOYSA-N	416.786	6.275	30	20	HKED	
CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(OCCCC#N)c1	516400706	SHLICTJNTYENFE-UHFFFAOYSA-N	406.507	5.749	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4[nH]c(C)c(C)c4c3)n2)cc1	517801083	XEKIWHCIUHSKGX-IBGZPJMESA-N	401.491	5.407	30	20	HKED	
N#CCCSc1ccccc1NC(=O)COc1ccccc1OCc1ccccc1	518120521	DUVUBDAETGVLFC-UHFFFAOYSA-N	418.518	5.289	30	20	HKED	
CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1	518139037	QQVBTHSGZQMERG-LJQANCHMSA-N	418.324	5.097	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C)oc2c1	518886118	ASGYHGIHMKULLK-IBGZPJMESA-N	421.456	5.485	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1	519515484	KAHUTUJXBWTJRW-MRXNPFEDSA-N	420.538	5.077	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	519515626	ONAXEUSYJRTMQC-VNQPRFMTSA-N	404.457	5.842	30	20	HKED	
C[C@H](NC(=O)c1cc(O)ccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	527255291	QZFNYDYACUGIAZ-AWEZNQCLSA-N	410.395	5.441	30	20	HKED	
CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccc([N+](=O)[O-])c1	532827725	SQQVQPGMABICBK-UHFFFAOYSA-N	407.813	5.189	30	20	HKED	
COc1cc(-c2noc(CSc3ccc(C#N)cc3Cl)n2)ccc1OC(F)F	533177599	XHILWHAVCPVZOB-UHFFFAOYSA-N	423.828	5.164	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534175472	HXRPRTGJHAQQOZ-UHFFFAOYSA-N	405.885	5.450	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)N(CCC#N)Cc3ccco3)c2C)c1	535973295	CODJXXJZBNKGEI-UHFFFAOYSA-N	419.481	5.123	30	20	HKED	
N#CCC[C@H](NC1CCN(Cc2ccccc2Br)CC1)c1ccccc1	539215892	OQXSTOLMPIZFLM-QFIPXVFZSA-N	412.375	5.048	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(C3(C#N)CC3)cc2)cc1	539628463	CVUUUUIHTCIZRF-UHFFFAOYSA-N	409.464	5.095	30	20	HKED	
CC(C)c1ccc(-c2nc(C[S@](=O)CCCC3(C#N)CCOCC3)cs2)cc1	541002263	QNWUODMYKUMUEM-MUUNZHRXSA-N	416.612	5.283	30	20	HKED	
CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1c2ccccc2-c2ccccc21	542029287	IHDHSQBQTQATMJ-UHFFFAOYSA-N	423.451	5.117	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC1CCC(C(F)(F)F)CC1	542117679	MTCKHKLBIFBQBG-UHFFFAOYSA-N	417.431	5.751	30	20	HKED	
CC[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	543495523	DNECYFOJJHRWDB-CYBMUJFWSA-N	408.367	5.153	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc2cc[nH]c12	547850243	CGOLZYHXOFOJSY-UHFFFAOYSA-N	402.267	5.290	30	20	HKED	
N#CC1(N(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C2CC2)CCC1	551287965	SQYINNVQDALKHT-UHFFFAOYSA-N	406.338	5.097	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc2cccc(F)c2c1COC	553119252	FTORBKHSZFDJEL-UHFFFAOYSA-N	415.534	5.183	30	20	HKED	
N#Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)N4C3=O)cc2)cc1	553125979	PIFVBXXXQHBTSH-GOTSBHOMSA-N	409.445	5.023	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F	554339446	UOBHUCXFHKTCBY-SECBINFHSA-N	408.317	5.164	30	20	HKED	
C[C@@H](NC(=O)NCC1(c2ccccn2)CCC1)c1ccc(-c2cccc(C#N)c2)cc1	558169825	GGQLZRHJIHBMHB-LJQANCHMSA-N	410.521	5.102	30	20	HKED	
C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	558457172	UROVMJSTWQRAPN-LJQANCHMSA-N	419.529	5.145	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(Cc1ccco1)Cc1ccco1	569649175	BGBINHJOSQOPIJ-QGZVFWFLSA-N	422.460	5.136	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1F	575905227	LMGQJYMDQBTCLM-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	579779799	ODBCRHHISJVBII-MWTRTKDXSA-N	416.456	5.500	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(=Cc2cccc(F)c2)CC1	581582588	SSZLHHWYZLUIHS-SFHVURJKSA-N	423.557	5.195	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)CCCCCC#N)ccc1Cl	588887586	GZIOLVSXZGLUGF-UHFFFAOYSA-N	411.933	5.415	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)C(C)C)cc1	589051981	RIFVSGJOUFWUIA-QFIPXVFZSA-N	408.567	5.256	30	20	HKED	
Cc1nc(C(C)C)oc1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	590562710	WYZIMHNVJGOBNI-UHFFFAOYSA-N	409.873	5.354	30	20	HKED	
CCCn1c(C)c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c2cc(OC)ccc21	592974023	MKLYZJYUUYOUEG-QGZVFWFLSA-N	421.497	5.607	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc2c(C)nn(C)c2s1	603533274	ZANGBRPTJRMWQB-UHFFFAOYSA-N	418.497	5.109	30	20	HKED	
CCSc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603758796	IQSMHIQPAIZRBH-HXUWFJFHSA-N	406.938	6.360	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Br)cn1C	604369552	LBRBRWGEQFKJCW-UHFFFAOYSA-N	410.271	5.012	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)cc1	604456686	BMQGORCZRIOLNO-UHFFFAOYSA-N	423.472	5.967	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1	605913116	LYKYIBJMHWMDNE-UHFFFAOYSA-N	413.949	5.432	30	20	HKED	
CN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1F	609215980	CALZGMDTJWFMFZ-UHFFFAOYSA-N	419.403	5.045	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCCc4sccc4C3)cc2F)c1	609339955	HTYIFLOMIYVIAO-UHFFFAOYSA-N	421.497	5.318	30	20	HKED	
N#Cc1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	609448915	KBSUTGWVMKMFMY-NXEZZACHSA-N	404.276	5.898	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(CCc3ccccc3)c3ccccc3)cc2)nc1	609502450	RRNRDKMJIPCDQJ-UHFFFAOYSA-N	419.484	5.635	30	20	HKED	
CCCN(C(=O)c1ccc(C#N)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	609640505	XCXVUGOYPNMQGU-UHFFFAOYSA-N	417.321	5.440	30	20	HKED	
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609744010	YWWYAPOAPRDLJS-SFHVURJKSA-N	400.482	5.578	30	20	HKED	
COc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(OC)cc1Cl	609986125	XPUYBLZWVUCUOX-UHFFFAOYSA-N	407.857	5.225	30	20	HKED	
CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	610267910	QOUXKLFGMLAYJM-UHFFFAOYSA-N	416.424	5.069	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(CC(F)(F)F)c3)cn2)cc1	610320315	XTGZWZNJFTUIQF-UHFFFAOYSA-N	412.371	5.494	30	20	HKED	
CC(C)(CCC#N)CN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	611271485	CVDZULQECQJQIC-QHCPKHFHSA-N	410.606	5.505	30	20	HKED	
Cc1nn(C)c2sc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12	613405001	SDXKZDDHJBJFHN-NSHDSACASA-N	420.441	5.062	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1	613405005	SGJLWZNXYFWDHM-GFCCVEGCSA-N	402.422	6.020	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)nnc1-c1cccc(C)c1	617940353	HNXQZRFSVZOTNZ-MOPGFXCFSA-N	420.582	5.106	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc2cc(C(F)(F)F)ccc2s1	677790780	CZOXAPXXXMXMNK-GDBMZVCRSA-N	416.424	5.309	30	20	HKED	
S=C(Nc1cccc(C#Cc2cccs2)c1)Nc1ccc2c(c1)OCCCO2	727273668	LFWLCAFXKZRODK-UHFFFAOYSA-N	406.532	5.118	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(F)c(Cl)nc3Cl)c2)c1	727748722	CCPGJIUPIFYSAC-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	727978692	OMPBZVWSQUFKQW-UHFFFAOYSA-N	407.926	5.908	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(C(F)F)c1	729187555	DXTDCGOMRYUKGL-GOSISDBHSA-N	406.388	5.378	30	20	HKED	
C[C@@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)Nc1ccccc1C#N	730347845	YVUJAVINMIFBJT-CQSZACIVSA-N	422.843	5.202	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	730686936	QHKHFFGAJDVSQS-JYJNAYRXSA-N	407.684	5.098	30	20	HKED	
CC(C)Cc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	731067500	WISRAHXAOBVTAH-QGZVFWFLSA-N	410.539	5.075	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(F)c(F)c1	732987085	RIVQSWWSZNRHQV-QRWLVFNGSA-N	415.509	5.135	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2c(-c3ccccc3)nc3sccn23)c1	733799549	UEFUYJXRCYWYSG-LJQANCHMSA-N	402.523	5.034	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1	733852114	SEPVMMVHLLHGEE-KRWDZBQOSA-N	406.486	5.128	30	20	HKED	
N#C[C@@H](C(=O)[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2)c1nc2ccccc2o1	735770551	SIBYMCXMXQEEMY-ANEIOGAWSA-N	404.897	5.707	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2cccc(COc3ccccc3C#N)c2)cs1	736827689	AIFNOBSPTIQEKO-MRXNPFEDSA-N	422.506	5.048	30	20	HKED	
C#CCOc1cccc(NC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1	740454739	XIXXBFIOGPMHJP-SFHVURJKSA-N	419.550	5.664	30	20	HKED	
O=C(/C=C\c1cccc2ccccc12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741845032	XSPCDJIIZKOSKU-RAXLEYEMSA-N	404.409	5.072	30	20	HKED	
N#Cc1ccc2c(c1)CC/C(=C\c1cccc(OCc3ccccc3C(=O)O)c1)C2=O	742437329	LLPLUTXBZASNDY-UDWIEESQSA-N	409.441	5.048	30	20	HKED	
CC/C(=C\C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1cccc(Cl)c1	744510637	MMTFZEWNJZSXGW-XMJIKXADSA-N	412.917	5.139	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)c1	745267883	AXQHSXWGVSDNBI-QFIPXVFZSA-N	405.885	5.348	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S	746033654	RZMUXZNWMHANJX-UHFFFAOYSA-N	421.545	5.146	30	20	HKED	
O=C(Nc1cccnc1)/C(=C\c1cccc(-c2ccccn2)c1)C(=O)c1ccccc1	747694749	DNGVSLYVLIDUTR-QJOMJCCJSA-N	405.457	5.049	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(F)cc1F	749102331	KJROTZBDLAXVQK-UHFFFAOYSA-N	415.278	5.251	30	20	HKED	
C=CCc1cc(CN[C@H](c2cccnc2)c2ccc(F)c(C)c2)cc(OC)c1OC	753680817	YREOUVSSOIOOEG-DEOSSOPVSA-N	406.501	5.154	30	20	HKED	
COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1F	755608890	AZJUOAWESGCWOQ-QWSHFYNQSA-N	406.482	5.546	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21	758240913	DFCLVVXFFBJXCX-QFBILLFUSA-N	407.539	5.649	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)cn2)c1	759475686	TZJRUCWEIWIVTM-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(C#N)s2)c([N+](=O)[O-])cc1OCc1ccccc1	762442341	JHXDZOJJMTVEIT-CLFYSBASSA-N	420.446	5.012	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1	763478880	QOMGRIJULDGZOF-CYBMUJFWSA-N	408.495	5.321	30	20	HKED	
C=CCNc1nc(C(=O)O[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cs1	763897884	XVBZPQSCYULVLC-LBPRGKRZSA-N	403.891	5.276	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cccc([N+](=O)[O-])c1	763945353	RJXHURMVBSVISS-IINYFYTJSA-N	419.384	5.203	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O[C@H](C#N)C(C)(C)C	765635167	UQUJFLQXORELKU-CQSZACIVSA-N	408.882	5.196	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N(c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1	767095678	DEJBWTOJLUPXRM-KRWDZBQOSA-N	404.526	5.161	30	20	HKED	
C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1cccs1	768416293	WURLJDPMSJZTAK-UHFFFAOYSA-N	416.597	5.259	30	20	HKED	
CC1(C)CCCN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)[C@@H]1C#N	769891387	CDEOHYDDDFQPCB-LLVKDONJSA-N	409.144	5.253	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F	770045627	OETRKBKFWYXUSO-MRXNPFEDSA-N	407.194	5.428	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(F)c(Br)c2)ccc1OC	772985681	MBVPUMVBDDSBMY-XJKSGUPXSA-N	421.310	5.129	30	20	HKED	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	775984511	JLLBGHJEIVYNTF-SDHOMARFSA-N	411.505	5.418	30	20	HKED	
C[C@H](CCCc1ccccc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	776074332	KFZKAXXGIHQLCL-QAPCUYQASA-N	419.550	5.111	30	20	HKED	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSCc1ccc(C#N)cc1	777822654	JNUNKQFNKHEOES-IBGZPJMESA-N	416.546	5.287	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1	779103555	DFQSQUBWDXIYEP-ZJSXRUAMSA-N	422.475	5.848	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccnc(Cl)c2)cs1)c1ccc(F)cc1F	782195362	WZZPSDXTFDJHFI-HYXAFXHYSA-N	419.840	5.050	30	20	HKED	
CN(C(=O)/C=C\c1cncc(F)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	783530845	CMIOPEAYYKQXGX-KJPDOMRESA-N	406.301	5.015	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	784618934	FGSKFUZNYDCTFV-NRFANRHFSA-N	421.946	5.348	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)c3c[nH]c4ccccc34)n2)cc1	786358419	HEZLNLSYVKGPSD-KXBFYZLASA-N	415.518	5.670	30	20	HKED	
CCCCOc1ccc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc1OC	787170459	WICHCIFQPDPGIZ-XSFVSMFZSA-N	406.482	5.029	30	20	HKED	
Cc1ccc(-n2ncc(NC(=S)Nc3ccc(C#N)c(Cl)c3)c2C(C)C)cc1	790345227	YXZHHCVVWPIUKR-UHFFFAOYSA-N	409.946	5.638	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(C(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	790766780	GGNRNARWKVUYJR-MRXNPFEDSA-N	402.853	5.820	30	20	HKED	
Cc1c(Br)cccc1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	791772763	CYSBFFSWRDTKMB-MRXNPFEDSA-N	411.324	5.300	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ncc(CN(C)C)s1	794709470	ZTHCAQGFVZNXAA-HJWRWDBZSA-N	403.960	5.186	30	20	HKED	
N#CC[C@H](CC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1	796747304	XUJPRRVHJAKJCD-KDOFPFPSSA-N	415.333	5.940	30	20	HKED	
C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)nc1	803064889	UPFKEAJHTSNNSV-CYBMUJFWSA-N	416.355	5.062	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2c(F)cccc2Cl)cs1	809159061	HDYUSLAGLOAYDD-JXMROGBWSA-N	418.852	5.655	30	20	HKED	
COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	810198642	BUPKLDHHHINOHT-UHFFFAOYSA-N	420.852	5.351	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc2oncc2c1	814729164	DLAYLPAQNIYOPK-UHFFFAOYSA-N	420.881	5.110	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(OC[C@H]4CCCO4)CC3)n2)cc1	815910637	CQFYDOIBCIZBNG-VFUGHAIPSA-N	424.566	5.049	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cccc3oc(C)nc23)cc1OC	864014104	HEGJTUBHHHZRQB-UHFFFAOYSA-N	403.276	5.084	30	20	HKED	
Cc1c(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)cnn1-c1ccccc1	913617653	QIKAZINVJYRNKB-MDZDMXLPSA-N	405.889	5.056	30	20	HKED	
CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccccc2Br)cc1	914773254	ACEVUMZYPJVDIZ-UHFFFAOYSA-N	403.324	5.159	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1	915086408	KDCWOPOJKIOTCQ-LJQANCHMSA-N	404.853	5.019	30	20	HKED	
Cc1cc(C)c(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Cl)c1	915124526	NKERCNZFWUSZBF-FQEVSTJZSA-N	405.954	6.421	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1	915179184	BDNGKOJISZATSE-VWLOTQADSA-N	423.516	5.107	30	20	HKED	
Sc1nnc(-c2ccccc2)n1N=Cc1sc(Oc2ccccc2)nc1Cl	915942385	MKCZFUGTXMPEES-UHFFFAOYSA-N	413.915	5.018	30	20	HKED	
O=C(O)CCOc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	915988256	SIXLKIBLQFTGKU-JXMROGBWSA-N	423.446	5.073	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(OC(F)F)cc3)c2)cc1	916137805	ZUAUTESOEKYFTG-LHHJGKSTSA-N	423.415	5.445	30	20	HKED	
Cc1nc2cc(F)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2nc1C	917119855	YNEQIWYPQOTEDR-JOCHJYFZSA-N	410.452	5.294	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCCc3ccccc3C2=O)cs1	917558195	NDKDOXAWXIFFME-GHRIWEEISA-N	422.937	6.084	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)c1	917679523	NNAFROWYTHPYLB-UHFFFAOYSA-N	403.290	5.877	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	918171188	TZDWXSWTDUCCHX-XMMPIXPASA-N	415.464	5.108	30	20	HKED	
N#Cc1ccccc1Sc1ccc(NC(=O)c2cnc(O)c(C(F)(F)F)c2)cc1	1140804147	FMTJSVVHDIZJMB-UHFFFAOYSA-N	415.396	5.081	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1	1787887585	MIMRBQGWQIQEJG-UHFFFAOYSA-N	421.497	5.092	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816691840	LCGMNQLLECDLMF-CTNGQTDRSA-N	412.578	5.141	30	20	HKED	
C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)CC1	1831855418	YMLRTKKTIXZYOG-XWGVYQGASA-N	414.634	5.016	30	20	HKED	
N#Cc1ccc(C(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1	10808380	NQMUUBXBCIKJLQ-FQEVSTJZSA-N	424.378	5.114	30	20	HKED	
N#Cc1c(NC(=O)CSC2=Nc3ccccc3CS2)sc2c1CCCCC2	22022045	PEYXWBVETDIXGG-UHFFFAOYSA-N	413.593	5.495	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(C(F)(F)F)cn1	41556336	NPLLDSFGMDVZOG-AWEZNQCLSA-N	400.381	5.211	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](c3ccccc3)c3ccccn3)c2)c1	47697419	SRYUVJDCVNRXND-MHZLTWQESA-N	405.501	5.411	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)n1	48789019	OPSJLAVPNBCIOK-ZDUSSCGKSA-N	403.326	5.433	30	20	HKED	
C=CCc1cc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc(OC)c1OC	65175151	ZVFARBKGZWQHCT-UHFFFAOYSA-N	416.930	5.072	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1	65680168	PVWJDVJNCYOPFF-UHFFFAOYSA-N	408.461	5.108	30	20	HKED	
C=CCc1ccc(OCC(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)c(OC)c1	108337028	XKNMPJLPRZFOJC-UHFFFAOYSA-N	422.912	5.084	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(CCC(=O)Nc1ccccc1C#N)C1CC1	110983138	PPARQRCQRWPEDL-OAHLLOKOSA-N	401.432	5.131	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)c1cccc(C#N)c1	143691451	FVJKVLITQMMUFE-AWEZNQCLSA-N	411.914	5.151	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCCC(C)C	301757064	ACUXEBRTYDPRGH-HNNXBMFYSA-N	411.889	5.140	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1	303504180	RYHAGGLYLKZCPV-COXVUDFISA-N	404.457	5.699	30	20	HKED	
C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N([C@@H](CCCC#N)c2ccccc2)C1=O	432025073	HMERLTZVUCFDSX-RXVVDRJESA-N	416.308	5.196	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1	434009067	USSPJQMIWLQWIO-AWEZNQCLSA-N	404.495	5.118	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1F	435984769	PVZMKVZCCSFAKP-CYBMUJFWSA-N	408.951	5.603	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	437389065	HXCYHLDGUDTETQ-ZDUSSCGKSA-N	406.816	5.972	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc(-c3ccccn3)s2)cc1F	437473970	NELPMLDNUFSPML-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc2nc(C(C)C)sc2c1	439578033	ZGFUPFMZZPRZFS-MRXNPFEDSA-N	422.554	5.176	30	20	HKED	
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CCC#N)c1ccccc1	439676970	YYXKUBHPQXGOBM-DYVFJYSZSA-N	421.722	5.031	30	20	HKED	
CCCc1c(NC(=O)c2sc3nccc(C)c3c2C)cnn1-c1cccc(C#N)c1	440072076	OYBLNNHMLIJAOU-UHFFFAOYSA-N	415.522	5.175	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1	442068744	URGTVZCMRBMBGY-LBPRGKRZSA-N	406.255	5.146	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)c2ccccc21	444337688	CWWWVCDKDFVLPK-UHFFFAOYSA-N	422.699	5.863	30	20	HKED	
CCC[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nnc2ccccn12	444673211	GXWYOWDGMFHJMV-HSZRJFAPSA-N	409.537	5.060	30	20	HKED	
C[C@@H](C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1cccc(C#N)c1	462467882	LFYOXROCFVVLSG-ZUOKHONESA-N	422.326	5.099	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1	463542311	HJOGJUIVIWZACM-UHFFFAOYSA-N	407.832	5.050	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)s1	468680364	OFAXWMUTWITMCD-UHFFFAOYSA-N	422.293	5.308	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1cccnc1	469036593	SXOWLJFDKFENIP-CQSZACIVSA-N	411.383	5.507	30	20	HKED	
C=C(C)[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(F)c(F)c1	475676438	JTVPWZHTIMCLPU-OAQYLSRUSA-N	414.477	5.287	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@H](C#N)c1ccccc1Cl	477669328	ZFWKVXPZYCNNOD-MRXNPFEDSA-N	403.841	5.045	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1ncc(-c2cccc(F)c2)o1	481330697	FNXUODHRHPEVGX-UHFFFAOYSA-N	422.485	5.130	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccncc1	481352668	ZTGLWDSFBOPUPY-UHFFFAOYSA-N	421.570	5.079	30	20	HKED	
N#CC[C@H](Cc1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1)c1ccccc1	481903920	IXGVRGABINYJNY-QGZVFWFLSA-N	400.413	5.303	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	483333290	DBKRUNUNAJUDKU-ACJLOTCBSA-N	403.404	5.201	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(CC(F)(F)F)C3CCCC3)c2)c1	485225146	SQLHRJPPCYTKAW-UHFFFAOYSA-N	402.416	5.084	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](c1ccccc1)C(F)(F)F	485317597	RNZWXNHAFWOXQP-FQEVSTJZSA-N	414.383	5.106	30	20	HKED	
N#Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)s1	486860651	VVRJMDJWEACPCF-UHFFFAOYSA-N	415.396	5.143	30	20	HKED	
C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SC2CCCC2)cc1	488484896	VCQHQKVVXWSSEU-UUOWRZLLSA-N	419.594	5.045	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)o2)cc1	488515921	MIPKBEZZGYBMEQ-OAHLLOKOSA-N	424.551	5.170	30	20	HKED	
COc1ccc([C@H](NC(=O)Cc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1	492046566	SESMMFHOMNAPAP-HSZRJFAPSA-N	424.422	5.034	30	20	HKED	
N#C[C@H](C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)c1nc2ccccc2o1	496629954	IGHMQVBSIUXZIY-CQSZACIVSA-N	424.243	5.812	30	20	HKED	
CCOCCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	498379677	WFCAQKQHZOVVED-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
C=CCOc1ccc(CN[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1OC	500899801	VQIKISGCKYHTTN-QHCPKHFHSA-N	401.506	5.540	30	20	HKED	
N#CCSc1ccccc1NC(=O)CSC(c1ccccc1)c1ccccc1	502530085	OZJLAHFPLZAMPN-UHFFFAOYSA-N	404.560	5.764	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)o2)cc1	505972283	VUAIIPYOFYKGRV-GOSISDBHSA-N	414.292	5.271	30	20	HKED	
C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1	508917799	KWUMCZXCTLQRRO-UHFFFAOYSA-N	423.904	5.211	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3ccccc3)s2)cc1	510240213	DCBFZSMAJRLPAB-GOSISDBHSA-N	421.551	5.071	30	20	HKED	
COc1ccc(C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)c2ccccc2)cc1OC	512661750	UBAHIPNKFHWNBP-UZUQRXQVSA-N	404.485	5.349	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@]4(CC=CCC4)C3)c2)c1	512724545	GGBMLXKPCOKQBB-RUZDIDTESA-N	414.509	5.165	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	512940214	MAPCPUAJCRSRCF-LBPRGKRZSA-N	418.868	5.194	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	515374786	BNNVCHBGXYDXKG-HNNXBMFYSA-N	416.506	5.577	30	20	HKED	
Cc1ccc(CNC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518147491	PHTQEDONEBBXQM-HNNXBMFYSA-N	421.488	5.136	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1	518495349	OQRJHAUDHWAZPE-HSZRJFAPSA-N	420.509	5.980	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1CC[C@H](C)Sc2ccccc21	518758987	PXKJMYCBGNBKDB-IRXDYDNUSA-N	411.596	5.410	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)cc2)cc1	519988655	DZUHMYFLQDPJDZ-UHFFFAOYSA-N	401.441	5.686	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2)cc1	521962072	KMWYNFMJQGAWLO-UHFFFAOYSA-N	410.473	5.180	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1	525024531	VKVDALNFHNLGBM-IRLDBZIGSA-N	418.443	5.352	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ncsc3C2)cc1Cl	526091727	FEPJEFCRIHNEKU-KRWDZBQOSA-N	408.914	5.042	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1	539763404	NSQLIDZIIHSNNG-IBGZPJMESA-N	423.561	5.219	30	20	HKED	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2ccc(C3(C#N)CC3)cc2)cc1	540722590	KAXFTYPJOQCZNE-VWLOTQADSA-N	409.533	5.451	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	540929936	DMBUIZOHZJBCMX-UHFFFAOYSA-N	424.507	5.344	30	20	HKED	
Cc1ccccc1Cc1nc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1	543873436	WIZRUYXCHNCXMF-IBGZPJMESA-N	408.505	5.358	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc2ncccc2c1	547434104	XGZCFZGWCYZIQC-UHFFFAOYSA-N	402.523	5.192	30	20	HKED	
CCCOc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1	553520906	RXBWAYLTWWOWAD-GOSISDBHSA-N	419.308	5.126	30	20	HKED	
Cc1ccc([C@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccc(F)cc2Cl)cc1	557587336	AJYZTGMSDGIXIG-QHCPKHFHSA-N	421.903	5.590	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2csc(C(F)(F)F)n2)cc1	560020603	MFKNHHYUBFKRMC-UHFFFAOYSA-N	419.384	5.087	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1Oc1ccccc1C#N	561240073	GNIMOKWUCHZMIN-UHFFFAOYSA-N	414.509	5.346	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccc21	572023601	LPXCRXCBLSCYSP-UHFFFAOYSA-N	421.460	5.256	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1	578697233	GGKWIZULSKIGDM-HZPDHXFCSA-N	406.327	5.795	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3nc(CC(F)(F)F)cs3)c2)cc1	578854315	UZOVJYMFHWHWKK-UHFFFAOYSA-N	402.401	5.115	30	20	HKED	
CC(C)(C)C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1	581836455	NKZCSARYJQWUNH-FQEVSTJZSA-N	424.976	5.479	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(COc2ccccc2C#N)o1	603835847	QFNFZUQNXONKLN-UHFFFAOYSA-N	400.887	5.107	30	20	HKED	
COc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1F	604027412	XZTZBBXEORNZMY-UHFFFAOYSA-N	410.832	5.333	30	20	HKED	
O=C(Nc1ccc(F)cc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608330998	SKVVHNCRYFYYMV-OCAPTIKFSA-N	424.263	5.022	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCSc1ccccc1	609062075	VVPWLUSHHHPMPN-UHFFFAOYSA-N	402.519	5.567	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609176182	ALDMVHLMIXEUJL-UHFFFAOYSA-N	409.445	5.495	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)sc2c1	609185954	POLUBVKXGSUISQ-UHFFFAOYSA-N	410.926	5.418	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(CCC#N)CC(C)(C)C)cc12	609191564	JLZRJHBRIPHUOB-UHFFFAOYSA-N	414.962	5.451	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(Oc2ccccc2)c1	609435563	XHHVUZHZLRZOKG-KRWDZBQOSA-N	418.522	5.590	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1	609633570	CWXUAWGIPHKWQH-CQSZACIVSA-N	416.403	5.611	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	610016175	IYILYIZBYHYUBI-IBGZPJMESA-N	413.477	5.381	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610321181	KIGOKLFFXSGPSG-AOMKIAJQSA-N	416.456	5.500	30	20	HKED	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@H](C)c1cccc(C#N)c1	610324879	WBHCCTUCOQOLFX-QGZVFWFLSA-N	401.514	5.233	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Oc4ccccc4)ccn3)cn2)cc1	610396221	ZXSUPCVMPTYZEN-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCN(C)c2ccccc21	611009884	BMVNKIXHZLZSRH-QHCPKHFHSA-N	411.505	5.008	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)cc1	613319248	WXOGHTRMTNEGRB-HXUWFJFHSA-N	424.529	5.672	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccn([C@H](C)c2ccccc2)n1	615024796	WOJFGJGRGDFGHV-DLBZAZTESA-N	405.527	5.531	30	20	HKED	
CCOc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	615542239	BADSQPMDJQMUSL-UWVGGRQHSA-N	416.337	5.255	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CCCC4)c(C)c2c1	630033683	FYGQJNZZEXDVRL-UHFFFAOYSA-N	406.507	5.327	30	20	HKED	
C=CCN(C(=O)c1sc2nccc(C)c2c1C)c1nc(-c2ccccc2)cs1	642125792	XSGPOHDGMGWSND-UHFFFAOYSA-N	405.548	5.869	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(F)cc4O)c23)cc1	727778127	ZGCPLRRPLCEPHA-UHFFFAOYSA-N	408.458	5.048	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)s1	730420851	HNDKSCKCOWQVTN-GFCCVEGCSA-N	413.524	5.348	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F	730689792	MEWOHOKWESOEOW-MGPQQGTHSA-N	420.246	5.718	30	20	HKED	
CCn1c(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nc2ccccc21	731400951	YVRAONINXRBNEY-UHFFFAOYSA-N	411.465	5.042	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1	732592755	BRXCYEPZKPBDPS-YPAWHYETSA-N	424.525	5.855	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1oc2ccccc2c1C	733079651	ICLRTLPQBAVUQD-UHFFFAOYSA-N	411.387	5.448	30	20	HKED	
CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	733620881	FCNPKQAFPSHSQA-VWLOTQADSA-N	415.512	5.968	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)c1	733842922	FRMNNCQMHSOHQC-OAQYLSRUSA-N	415.518	5.151	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1	734083387	OTQNLWJFXPHLIE-CQSZACIVSA-N	405.426	5.307	30	20	HKED	
CC(=O)N(c1nc(C=NNc2c(Cl)cc(Cl)cc2Cl)cs1)C1CC1	734296021	MJBQHDGCUOCJON-UHFFFAOYSA-N	403.722	5.065	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)C1CCOCC1	734649798	LNVHXYWRCFIGGS-JTSKRJEESA-N	409.555	5.228	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccncc1	734667714	MVSYUSWQYRALSY-QUCCMNQESA-N	422.529	5.338	30	20	HKED	
C=CCC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(F)cc1	735615621	PVIHRIPJDQFMNR-UHFFFAOYSA-N	401.367	5.089	30	20	HKED	
FC(F)Oc1cccc(C2=NNC(=Nc3ccccc3C(F)(F)F)SC2)c1	738412883	KOWYFSMXOBNALA-UHFFFAOYSA-N	401.360	5.035	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccccc3Br)c2)s1	740427359	JDHXBZHGBPQQQM-UHFFFAOYSA-N	412.312	5.371	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)/C=C\c2cnc3ccccc3n2)c1	741970116	VBVMTECLRBOUBS-SEYXRHQNSA-N	424.891	5.401	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1cc(Br)cc(C(F)(F)F)c1	743007909	JENDTQYVJJALDI-UHFFFAOYSA-N	400.223	5.148	30	20	HKED	
N#C[C@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1	744064483	XCQGHDPDGFKQJN-XZOQPEGZSA-N	423.541	5.798	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c[nH]c3cc(C)ccc23)cc1	745948238	XSENEBDSANEXHB-VGSWGCGISA-N	401.510	5.270	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccccc1	748606577	IHZILJFOGOBPOD-GOSISDBHSA-N	407.861	5.089	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1-c1ccccn1	754875699	CWXOXUJWLTXFCL-XMMPIXPASA-N	419.484	5.665	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)n1	762076686	LTGZAVDRLWLHBQ-UZLBHIALSA-N	402.519	5.477	30	20	HKED	
C=CCn1c(SCC(=O)O[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1	765091150	JHBORQANVWMAEA-OAHLLOKOSA-N	413.930	5.181	30	20	HKED	
CCc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc1CC	768167885	PEZHLOCOAPTYDD-GOSISDBHSA-N	402.450	5.158	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2C(=O)c2cccs2)cc1	774576061	PSPJCGNJAWAVQB-UHFFFAOYSA-N	419.502	5.241	30	20	HKED	
CC(C)(O)c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	775216546	ARWBASJAJHIQHN-UHFFFAOYSA-N	416.546	5.008	30	20	HKED	
N#CCc1ccccc1CC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	777108186	KCUSPYXTOVUVOZ-FQEVSTJZSA-N	406.835	5.235	30	20	HKED	
COc1cccc(-c2nc(/C=C3\CCc4ncc(C(F)(F)F)cc4C3=O)cs2)c1	777469763	MKYZZPHUZMUFFQ-KPKJPENVSA-N	416.424	5.445	30	20	HKED	
Cc1oc2c(CN3CCC(CC#N)CC3)c(O)ccc2c(=O)c1-c1ccccc1Cl	781571294	BNGBQAFKYNTORV-UHFFFAOYSA-N	422.912	5.253	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(c3ccccc3)c3ccccc3)c2)s1	782455962	HQMNJJHBHVWYIG-UHFFFAOYSA-N	409.514	6.335	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)c1cccnc1SCc1c(C)noc1C	783874145	WQDAPXKNLVLBRF-UHFFFAOYSA-N	423.538	5.129	30	20	HKED	
COC[C@@H](C#N)OC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	785035574	MROOMEWVMLUBHQ-CQSZACIVSA-N	401.871	5.074	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccn(Cc3ccccc3)n2)cc1	787400147	GTQPNMKJKHEJQD-HSZRJFAPSA-N	407.477	5.231	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	788362104	JKOUHSUAWMNGCI-VCHYOVAHSA-N	413.864	5.071	30	20	HKED	
COc1cccc([C@@H](C)CCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1	789408461	KVQOQWHESQQLCO-MAUKXSAKSA-N	411.452	5.590	30	20	HKED	
Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)o1	790005656	NPVRMVSWDDIAQN-UHFFFAOYSA-N	414.469	5.125	30	20	HKED	
CCN(Cc1ccccc1)c1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1	792111835	ZHNLAGYMQGHGEJ-JOCHJYFZSA-N	406.489	5.146	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc2nc(-c3ccccc3)oc2c1	796629481	PCZQYTOQFTXLKL-LJQANCHMSA-N	419.440	5.490	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCOc2cccc(Br)c2)s1	797567798	LXLOOZNASDCLLS-HNNXBMFYSA-N	421.360	5.239	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)sc2cccc(F)c12	797569232	OULKRRVGCFMPKD-LLVKDONJSA-N	402.516	5.431	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CN(c1ccc(C(C)C)cc1)C2	798019208	RHTVONUCOWNHRM-CJFMBICVSA-N	419.569	5.433	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)cn1	798666383	BPFBWVQCAVSXQF-ZDUSSCGKSA-N	413.355	5.077	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H](c3ccccn3)C2)c1	798721016	FSINYZSPJQSHLI-KRWDZBQOSA-N	403.869	5.029	30	20	HKED	
C#C[C@H](NC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C)c1ccc(Cl)cc1F	805776720	VWAQRXCLSJZDNW-GUYCJALGSA-N	407.942	5.444	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)OC[C@H]3CC[C@@H](C#N)CC3)c2)cc1	809087243	BLPDLSOKTTWDSO-SZPZYZBQSA-N	419.521	5.274	30	20	HKED	
C=CCOc1ccc(CNc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1OC	864003867	QGVMVMMGKZAJQZ-UHFFFAOYSA-N	402.922	5.006	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)N(O)Cc2cccc3ccccc23)o1	901371949	YNMATOMLXKRLAG-UHFFFAOYSA-N	403.434	5.052	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3c(Cl)cccc3Cl)no2)c1C#N	904310307	QQYZPLKFTKEWPG-UHFFFAOYSA-N	403.294	5.576	30	20	HKED	
Cc1ccnc(-c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)c1	904943977	XETFZJDQLJFAMV-UHFFFAOYSA-N	405.273	5.396	30	20	HKED	
C=CCOc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1	913368416	UAMVJGHQNKGPHQ-LJQANCHMSA-N	415.489	5.026	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C/c3cn(CCC#N)nc3-c3ccccc3)oc12	916130071	GXGQSSXUVDOYAC-OUKQBFOZSA-N	411.461	5.505	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1cccc2ccccc12	916915312	BRKBSFAPVYKFFC-HSZRJFAPSA-N	424.500	5.029	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C)cc1	916955937	VUNPFKLIARZHRQ-MGPUTAFESA-N	417.534	5.593	30	20	HKED	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917026244	CTMSKBGCJSOITL-IFXJQAMLSA-N	421.547	5.126	30	20	HKED	
Cc1cccc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCC2)c1	917043434	KNYVTJAIARNUOD-INIZCTEOSA-N	414.452	5.922	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Br)o1)c1nc2cc(Cl)ccc2s1	917043688	MIEVSXNOJXPFSZ-JRBALWBOSA-N	407.676	5.195	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C(F)F	917045184	WMYCKBLEBBBHMJ-ZDUSSCGKSA-N	422.262	5.937	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3c[nH]c4ccccc34)n2)cc1	920139814	YTCHZPYGZMCXIY-HXUWFJFHSA-N	415.518	5.499	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccccc3F)s2)cc1	920279630	JWCMOOQVVNZCHA-FQEVSTJZSA-N	413.477	5.857	30	20	HKED	
O=S(=O)(Nc1ccccc1Cl)c1cccc(N=Cc2cc(Cl)ccc2O)c1	920946016	OLQBENDRVNQTQZ-UHFFFAOYSA-N	421.305	5.250	30	20	HKED	
C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1ccc(F)cc1	6095806	YZNBPCRJXRYLAV-UHFFFAOYSA-N	411.502	5.164	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccccc2OCc2ccccc2)cc(OC)c1OC	33460289	DNKVOGNSQYSZRO-YPKPFQOOSA-N	404.462	5.188	30	20	HKED	
N#CCCn1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c2ccccc21	57744763	NIVBIUWZNNOKSN-UHFFFAOYSA-N	418.547	5.023	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1F	106121125	KHHSBSVFHPZOPP-UHFFFAOYSA-N	418.335	5.249	30	20	HKED	
C=CCOc1ccc(CN[C@H](CC(=O)O)C23CC4CC(CC(C4)C2)C3)cc1Cl	426727615	PDVXVQKABSNJQK-WWFGTJDESA-N	403.950	5.054	30	20	HKED	
CCn1nc(C)c(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C	428058889	PBBQSHCORKFIPR-UHFFFAOYSA-N	408.889	5.018	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1ccccn1	430511206	VNUSUSHTMZTWFR-LBPRGKRZSA-N	400.265	5.486	30	20	HKED	
COc1cc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1OC1CCCC1	431809181	DJROFYBXJYCEOK-JOCHJYFZSA-N	421.541	5.251	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1F	437489246	ZAEAGRDZXRDIIB-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1	438058005	WJGGZTOLVLXTKA-CABCVRRESA-N	403.935	5.323	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1OCC(F)(F)F	438160523	OMHUNLLSHMXSGQ-FUHWJXTLSA-N	421.394	5.070	30	20	HKED	
N#Cc1cnc2c(Br)cccc2c1N1CCC(OCc2ccccc2)CC1	440637295	LVDNEEIWQMOPIB-UHFFFAOYSA-N	422.326	5.055	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1	442555329	VODGWUHADJXITO-OAHLLOKOSA-N	415.430	5.377	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c2ccccc21	444139336	GNBQHFAOOMCVTA-FXAWDEMLSA-N	411.427	5.250	30	20	HKED	
CC[C@@H](Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccc(C#N)cc1	447595848	AWSLCYFXNZQIQR-XMMPIXPASA-N	404.535	5.236	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cc1C	465464352	FVHMMKXUPZNWFT-NZQKXSOJSA-N	412.537	5.099	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)ccc21	467194609	KUNPIIHDACDDNK-NSHDSACASA-N	416.840	5.264	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1	467814257	UWZAEPMPEIGIHB-UHFFFAOYSA-N	409.486	5.055	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	468822605	DIESKJVZCUFCAE-UHFFFAOYSA-N	420.428	5.438	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1	468927334	LDFQMSLUNNWTML-UHFFFAOYSA-N	410.464	5.092	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cc(F)cc(C(F)(F)F)c3)ccc21	469182104	FJLTYCQSZJSJBJ-UHFFFAOYSA-N	405.395	5.040	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1Cl	474431554	NMJZAAVTMRJKMP-HXUWFJFHSA-N	423.879	5.500	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	475455494	BJESULBZAAQLGX-CQSZACIVSA-N	421.722	5.527	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	477285901	OCKQJFDOHAZZSL-UHFFFAOYSA-N	418.802	5.104	30	20	HKED	
C=C(C)[C@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc(F)c(F)c1	477736941	IMSQJUUWCBUHHC-FQEVSTJZSA-N	402.466	5.649	30	20	HKED	
CC(C)CN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1	480005283	ANPWNALHIOTXCF-UHFFFAOYSA-N	420.513	5.006	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)on1	482007477	OQRLTONHMFWEAY-DEOSSOPVSA-N	423.516	5.932	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482406123	ZUHWIXGSTMIVPQ-HNNXBMFYSA-N	424.316	5.011	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1cnc2ccccc2n1	483231035	NBIFHTSTRLMIJO-KRWDZBQOSA-N	401.372	5.190	30	20	HKED	
CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	486807253	GCVWPXZHBZKTCD-OAQYLSRUSA-N	401.466	5.159	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1	487539074	GGLLYBFBSDPLOI-QHCPKHFHSA-N	412.493	5.496	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1	489055045	QTYJKKLVVWDKKY-HXUWFJFHSA-N	406.551	5.072	30	20	HKED	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)Nc1cc(F)c(OC(F)F)cc1F	491413517	MIYMMWWAEKRTOZ-CQSZACIVSA-N	424.316	5.690	30	20	HKED	
CC[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1	494881122	FTYCLINVMYJMNG-JTQLQIEISA-N	400.319	5.201	30	20	HKED	
C=CCNC(=O)c1ccc(N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)nc1	495324841	XZOZDVWCJLRZAY-CYBMUJFWSA-N	412.946	5.256	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Br)c3ccccc23)cnc1C(F)(F)F	497656788	YAKHIHHWADAMBJ-UHFFFAOYSA-N	420.188	5.140	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc2ccc(Cl)cc12	502050461	NWZNRSOKPHNGNA-CYBMUJFWSA-N	400.956	5.988	30	20	HKED	
Cc1cc(NC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)nn1CCC#N	504128784	AUWXKDIPMJBYLF-UHFFFAOYSA-N	415.280	5.457	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc([C@H]4CCCOC4)cc3)n2)cc1	505716377	HIUQMHKROYIRLH-PZJWPPBQSA-N	418.518	5.203	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1	505825373	IYOCWTFDYXZEEP-HXUWFJFHSA-N	423.463	5.231	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@H](CC(F)(F)F)c1ccccc1	506904083	SPSDZJDWTPPZNG-CQSZACIVSA-N	424.316	5.582	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nc(-c3cccs3)no2)cc1	507826860	CDKOGDCNIHHTTI-AWEZNQCLSA-N	418.478	5.644	30	20	HKED	
CCOc1ccc([C@H](NC(=O)N2CCC(C)(C#N)CC2)c2cccc(Cl)c2)cc1	508247305	BXIJFERDQGUQOB-NRFANRHFSA-N	411.933	5.163	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	510035674	QTDSHCDTPFRFFD-AWEZNQCLSA-N	412.280	5.799	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1	513373067	UFDYTIZVYALROV-UHFFFAOYSA-N	423.447	5.482	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(-c3cccs3)no2)cc1	513397508	LWRFENINBFFHPM-UHFFFAOYSA-N	404.470	5.011	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCc1cc(Br)ccc1F	513622874	ZYQZGLGAJUBGMR-UHFFFAOYSA-N	423.285	5.099	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1-c1cccc(Cl)c1	513654894	NYQNHJPOTHTQKE-MRXNPFEDSA-N	420.925	5.749	30	20	HKED	
C=CCC(C)(C)c1noc(C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1	514619075	RQZHOCMCZKYBSY-IBGZPJMESA-N	409.917	5.291	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1COc1ccccc1)c1nc2cc(Cl)ccc2s1	515546036	GRGKYXSNGHNDAQ-IBGZPJMESA-N	418.905	6.019	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccccc1CN(C)C1CCCCC1	515815737	IAWYRLOZHUTAER-UHFFFAOYSA-N	411.615	5.410	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1	517358111	UGUJOANFPAZIEI-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1N[C@H](C(=O)NC1CC1)c1ccccc1	518147834	VQBHCSVNCBCKPI-IBGZPJMESA-N	419.472	5.143	30	20	HKED	
COCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	518373714	ZOZWAQIXGBAXOK-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCOc1ccccc1C(F)(F)F	518681775	JZAKTPNHAPBPQO-AWEZNQCLSA-N	423.460	5.158	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1	518871807	OFFZKEORJPYWCE-GFCCVEGCSA-N	424.350	5.477	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1	520847043	USSREPQAGDSXRX-RUZDIDTESA-N	413.521	5.276	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1	520855655	WQPCJNIAIKQYAF-HNAYVOBHSA-N	415.946	5.197	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1	521258475	XVVUMIODZMQSPI-HXUWFJFHSA-N	415.562	6.173	30	20	HKED	
COc1cc(Br)ccc1C(=O)Nc1ccccc1S[C@H](C)CC#N	521326954	KKZCQNFLCUVISC-GFCCVEGCSA-N	405.317	5.104	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1	521733537	IGULRNXQZHROEZ-OAHLLOKOSA-N	420.987	5.342	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	521797432	SDOXZPFUSQRURO-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
CCc1noc(CC)c1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	531774564	NZFGSLHZGSTSPS-UHFFFAOYSA-N	404.470	5.094	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C#N)s1	538073253	QEPGVHMWIPDFNK-UHFFFAOYSA-N	412.496	5.201	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)cc1	539135378	BWWFHWRNUCMWLW-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
CCn1c(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2c(F)cccc21	539425823	WOIMSANPSYAWNI-QGZVFWFLSA-N	419.344	5.607	30	20	HKED	
CCCCn1ncc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	541099946	BERBLIWRLOBOHK-KRWDZBQOSA-N	401.514	5.413	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541110336	WHYUVXVBINYXDG-INIZCTEOSA-N	411.461	5.202	30	20	HKED	
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	541705053	QDWNKMZTKABJIB-VGOFRKELSA-N	424.976	5.189	30	20	HKED	
CC(=O)N(c1nc(Cn2nc(C#N)c3ccccc32)cs1)c1c(C)cc(C)cc1C	542337085	ALPGHCGNVTTXSP-UHFFFAOYSA-N	415.522	5.023	30	20	HKED	
Cc1nc(CNc2ccn(-c3ccc(C#N)cc3F)n2)oc1-c1ccc(Cl)cc1	542936992	XHOXKTXWNLXPDV-UHFFFAOYSA-N	407.836	5.112	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1SC1CCCC1	554117494	IMNTZTGZWONZGD-UHFFFAOYSA-N	400.544	5.417	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1	554409439	OHVMRKKKFVCPLD-UHFFFAOYSA-N	410.445	5.314	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)ccc12	570544749	BLPASNRDKNCMAJ-UHFFFAOYSA-N	411.486	5.200	30	20	HKED	
COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1Br	581562447	NMVCXVCNIKKUDK-UHFFFAOYSA-N	401.285	5.105	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)ccc12	582443261	GRMHPJXPMPFSRF-UHFFFAOYSA-N	413.408	5.304	30	20	HKED	
Cc1sc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c(C#N)c1C	592995248	BRILICXJQLCEME-UHFFFAOYSA-N	416.506	5.024	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n[nH]1	609135970	UAUOKOGREUVXOI-UHFFFAOYSA-N	410.433	5.002	30	20	HKED	
C=CCN(C(=O)c1sc2cc(C)ccc2c1Cl)c1nc(C(=O)OCC)cs1	609149726	LSMXKXRBRVEOQP-UHFFFAOYSA-N	420.943	5.329	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1	609376573	FUKPEECLGXGOMI-AWEZNQCLSA-N	411.527	5.377	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1c(Cl)cccc1Cl	609434690	JCDJRGXWMGVZFS-ZDUSSCGKSA-N	408.354	5.752	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)ccc1OCCC(C)C	609460728	BSBFAZREUGXEEE-SFHVURJKSA-N	420.431	5.134	30	20	HKED	
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1SC[C@H](C)C#N	610674434	PLTMVHSTRQVXGU-IEBWSBKVSA-N	408.571	5.201	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)c(Br)c1	611491420	MFLZHXJAKCBJIQ-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
C[C@@H](Cc1nnc(SCc2ccc(C#N)cc2Br)o1)c1ccccc1	611491463	PNLWVOIXOHDXIV-ZDUSSCGKSA-N	414.328	5.342	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	615321707	YLZPOXYCVQNIPZ-CQSZACIVSA-N	408.329	5.406	30	20	HKED	
O=C(N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1	674458253	BXWOMECKQDGLBB-GJZGRUSLSA-N	411.361	5.227	30	20	HKED	
C=CCc1cc(C(=O)N(CC=C)c2nc(-c3ccccc3)cs2)cc(OC)c1OC	680452935	BJCUBFWOHIEYPV-UHFFFAOYSA-N	420.534	5.389	30	20	HKED	
COCc1cncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	680935075	VOWLGDNKJTVENF-OAHLLOKOSA-N	418.305	5.148	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1	682803734	NTTWFUDYKRJNLF-LJQANCHMSA-N	419.594	6.003	30	20	HKED	
C[C@H]1CCCCN1Cc1ccccc1CNC(=S)Nc1ccc(C#N)c(Cl)c1	726462072	CNRFDKFAPOIAOE-INIZCTEOSA-N	412.990	5.073	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc(OCCCC#N)c3)c12	726743389	FVKOHZJCEZNCAF-YPKPFQOOSA-N	424.504	5.362	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Sc3ccccc3)C(C)C)n2)cc1	727232840	ULUNRZFNXHFUHO-SIKLNZKXSA-N	422.575	5.812	30	20	HKED	
CCc1ccccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	728053260	YLQNCMRFIBZIRZ-UHFFFAOYSA-N	419.912	5.404	30	20	HKED	
N#C[C@@H](NC(=O)/C=C/Sc1ccccc1)c1ccc(OCc2ccccc2)cc1	729369665	JWWDUDDTDULYRP-POICXBNUSA-N	400.503	5.252	30	20	HKED	
O=C(/C=C\c1c(Cl)nc2ccccn12)c1c[nH]c2cc(Br)ccc12	729937195	NURSKOWWPRZYEZ-SREVYHEPSA-N	400.663	5.128	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2o1	730071487	NOSRLQGXKUCJDZ-LJQANCHMSA-N	416.864	5.479	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)/C=C\c2ccc(C(C)(C)C)cc2)ccc1OC	733230768	ULCXINZFBKOKIF-NJAMNNSSSA-N	406.526	5.003	30	20	HKED	
C=CC[C@@H](NCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccncc1	734509635	NFXYUZWMABOYMT-XMMPIXPASA-N	420.516	6.088	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)/C=C\c3ccccc3C#N)s2)cc1	739609689	DDKLFIQSRXNAMV-HWOXTHGCSA-N	401.535	5.531	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1=S	739841372	JHXKGFLNLVOCJZ-UHFFFAOYSA-N	411.962	5.305	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)s1	740060641	WJJDZCHIQOEFAA-CQSZACIVSA-N	410.568	5.263	30	20	HKED	
Cc1cccc(F)c1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	743139305	HUPWVCRLJBBUSL-UHFFFAOYSA-N	407.420	5.046	30	20	HKED	
C#CC[C@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1	757059388	RERNBNDYMYGLKK-CYFREDJKSA-N	411.505	5.064	30	20	HKED	
N#Cc1cc(Br)ccc1Oc1nc(-c2cccnc2)nc2ccccc12	759249385	VGLKSYWKIBFTHA-UHFFFAOYSA-N	403.239	5.118	30	20	HKED	
CC(=NNc1ccccc1C(F)(F)F)c1ccc(CNC(=O)OC(C)(C)C)nc1C	760244832	YHEYDUNPYBJMOH-UHFFFAOYSA-N	422.451	5.270	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12	769547576	VYPVHKJJYCASGF-SFHVURJKSA-N	417.509	5.252	30	20	HKED	
CC[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)c(Cl)c1O	775534720	HICHJFGGUSHYDH-SFHVURJKSA-N	420.340	5.095	30	20	HKED	
C=CCCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1Br	776015364	HBTHWOLLLQNJKI-HNNXBMFYSA-N	415.331	5.176	30	20	HKED	
C=CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	778560042	ZIXKUHKTHBPEHP-RDJZCZTQSA-N	405.416	5.326	30	20	HKED	
Fc1cccc(F)c1[C@H](NC(=S)Nc1ccc(OC(F)F)cc1)C(F)(F)F	779732800	JDTJCHUUCYBXFM-ZDUSSCGKSA-N	412.330	5.156	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSCc2ccccc2)nc1	781061871	MFXLUNUOUITPOD-UHFFFAOYSA-N	413.502	5.063	30	20	HKED	
N#CCC1CCN(C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)CC1	782054542	DDRNVOIMYPVOJT-UHFFFAOYSA-N	412.518	5.277	30	20	HKED	
Cc1cccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)c1	782523405	KENBQKXWYPBDKD-RBUKOAKNSA-N	408.505	5.996	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc3cc(Br)ccc3[nH]2)cc1	787184608	RFAKUALSKLFDCW-SHLUWWQESA-N	402.679	5.353	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c(-c2ccncc2)n1	788345839	ONYDBEIZUNMDFW-QXMHVHEDSA-N	404.473	5.422	30	20	HKED	
N#C[C@@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1nccc2ccccc12	792101461	GORBNCNJRCIPGT-QFIPXVFZSA-N	416.484	5.383	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nccc2ccccc12	792102681	GVSNEHZTTNUDND-CTEOGUNLSA-N	400.787	5.797	30	20	HKED	
N#CCc1ccccc1CC(=O)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1	794909292	CXOFYSMQWWEKIJ-DEOSSOPVSA-N	418.924	5.023	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(C)c(OC)c(Cl)c2)ccc1OC	796827238	SEAGIDDFHRDCJA-MAUKXSAKSA-N	402.922	5.197	30	20	HKED	
Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1	797569089	AMZDKFSTACZVJZ-GOSISDBHSA-N	423.538	5.043	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)s1	797573357	RFDOZVYQERJURB-CQSZACIVSA-N	413.930	5.558	30	20	HKED	
C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	799227189	YEISJDJCXLASAX-QGZVFWFLSA-N	422.598	5.318	30	20	HKED	
O=C(CSCC(F)(F)F)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809126023	CMIDKSWRSZAGHE-SNVBAGLBSA-N	400.262	5.148	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccsc4C(F)(F)F)no3)cc2)nc1	904923621	ZPKBRCDGTBVQTO-UHFFFAOYSA-N	414.368	5.543	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1nc2cc(C(F)(F)F)ccc2s1	915103672	BFNBXIFSAGPHTO-CQSZACIVSA-N	420.843	5.877	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1sccc1Br	915987985	OSDZGBRDOKFPKG-ZZXKWVIFSA-N	400.297	5.381	30	20	HKED	
FC(F)Oc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1	916333228	GKVHZOYYOFICBT-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cccc(OCC#N)c5)(C4)C2)C3)cc1	916409496	GCVBSUVCVGNGMH-JKRLWXMKSA-N	416.521	5.074	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1	916909433	JMZCXVPROWKGTN-LJQANCHMSA-N	410.564	5.079	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1[C@H](C)c1ccccc1	916913285	WAUHBMZKDSYJLX-OXQOHEQNSA-N	419.912	5.329	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	917430370	JBDXARUMXXSCEW-SFHVURJKSA-N	424.447	6.277	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1	918033581	COHTZVYXDHXUES-RPBOFIJWSA-N	413.496	5.720	30	20	HKED	
Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1c[nH]c2cc(Cl)ccc12	918709722	SVSHFSKLCLPGIL-UHFFFAOYSA-N	417.925	5.328	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccc(F)cc3)n2)cc1	920139629	WGXVLUZQOUMVKR-GOSISDBHSA-N	412.511	5.316	30	20	HKED	
COc1cccc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)c1OC(F)F	920480255	BQKMUEMRMPEUBU-YFHOEESVSA-N	402.315	5.134	30	20	HKED	
CCC(CC)Oc1ccc([C@H](C)OC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1	1532699165	NUZHVOXPMWEKHQ-KRWDZBQOSA-N	410.514	5.080	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC(C)(C)C)cc3)CCC2)c1	1787658906	GDXRIBPWCDMEDW-GOSISDBHSA-N	417.553	5.498	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CCC3)cc2)CCC1	1787938979	SYRULOXQPOZPMX-UHFFFAOYSA-N	420.475	5.047	30	20	HKED	
N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5s4)cc3)CCC2)CC1	1789254219	DZGKVQRCPJFZOC-UHFFFAOYSA-N	421.547	5.014	30	20	HKED	
Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)CCC#N)cc2)cc1	7884027	YQMYBQSYOGYBSE-RUZDIDTESA-N	410.521	5.112	30	20	HKED	
Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccccc2)[n+]2cccc(C)c2)c(Cl)c1	15248318	YGYUPOOPVHSDPA-UHFFFAOYSA-O	409.962	5.604	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(I)c1	18116425	LBFWBUVYRZKESW-UHFFFAOYSA-N	424.241	5.082	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc12	29152766	GURFYIJCNRIGRM-UHFFFAOYSA-N	414.534	5.508	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc(OC)c1OC	36686622	RZHHGQFBLUOHDP-UHFFFAOYSA-N	422.569	5.449	30	20	HKED	
COc1ccccc1CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161478	SUVKDYXAJSXNEZ-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)c1ccccc1	55570176	ILIQURGVZPQBRY-UHFFFAOYSA-N	413.477	5.182	30	20	HKED	
Cc1nnc(SCc2c(C(=O)Nc3cccc(C#N)c3)oc3ccccc23)s1	63451402	RCDALIWIWJGZRP-UHFFFAOYSA-N	406.492	5.009	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(F)c1)c1nc(-c2ccccc2)cs1	65651789	QDCQAPRAYVMFTK-CYBMUJFWSA-N	401.260	5.202	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)o2)c(C)c1	66004936	GKVDZXJFRHVCMI-QGZVFWFLSA-N	402.475	5.575	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	195611411	SGZAPNIJGUSBDU-WNPZUFKQSA-N	415.537	5.989	30	20	HKED	
N#CCCCCNCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	236753958	LBTRCXRMXUEYEJ-UHFFFAOYSA-N	409.331	5.085	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1	255943030	YNIOBLDYAJSTKG-UHFFFAOYSA-N	412.436	6.122	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1cccc(OCC(F)(F)F)c1	302986249	WKSAUXHJQXPHQW-UHFFFAOYSA-N	410.289	5.107	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	303360888	HFEUZTSYEUUYEQ-NRFANRHFSA-N	408.567	5.272	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)c1	303966112	CZRXIPYDPLRXKS-NHCUHLMSSA-N	415.320	5.039	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(F)cc1C(F)(F)F	428798330	GYHCVCLWWPFYSZ-UHFFFAOYSA-N	420.328	5.716	30	20	HKED	
C[C@@H](C1CC1)n1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1	429111031	DCRKWZGPHKTMFW-KRWDZBQOSA-N	415.497	5.143	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3cccc(SCC#N)c3)c(C)c2)n1	429798351	HCKJCRXJJJLGLN-UHFFFAOYSA-N	411.577	5.779	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c12	430577080	BWCMWSAZOXFUFV-MRXNPFEDSA-N	416.506	5.442	30	20	HKED	
N#CCC[C@@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)c1ccccc1	430595696	YILPSYNCCZZSKG-HSZRJFAPSA-N	423.472	5.095	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1	432594229	RBUUBNALNRWCGQ-XZOQPEGZSA-N	400.526	5.402	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)cc1)N[C@H](c1cc(F)ccc1F)C(F)F	432898122	PYTPISYEKKLJOP-CQSZACIVSA-N	410.289	5.034	30	20	HKED	
CC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1F	433588470	XNCOLOGJEDIXTC-CQSZACIVSA-N	413.518	5.121	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C1(c2cccc(C#N)c2)CC1	435355847	VNEKXNYNPUOADK-UHFFFAOYSA-N	424.479	5.230	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1	437866562	MQTWFPKIPAIRNK-KBPBESRZSA-N	408.445	5.506	30	20	HKED	
COCc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c(-c2ccccc2)s1	442033625	PWQDAIQPWJVIHY-CQSZACIVSA-N	405.504	5.056	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCCN2CCCC2)CC1	443942441	QDLZMWRVGINMLW-IBGZPJMESA-N	414.619	5.201	30	20	HKED	
CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	447859085	RLXCNPPSWGJZRX-UHFFFAOYSA-N	416.437	5.020	30	20	HKED	
C=CCn1c(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccoc1C	448104653	IIQZRHTYKZCVJD-UHFFFAOYSA-N	424.404	5.252	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2)c(F)c1	448396845	HQQWYMANSXICDU-UHFFFAOYSA-N	403.215	6.063	30	20	HKED	
C[C@@H](CC#N)N(C)c1nnc(-c2cc(Cl)ccc2Cl)n1Cc1cccs1	461474236	KWMCXZHSYBELJL-LBPRGKRZSA-N	406.342	5.100	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(C(F)F)cc3)c2)cc1	462253875	FPYZOSNTDWHVAH-UHFFFAOYSA-N	421.447	5.591	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	466072775	DGCILZVMVFXDBZ-DNVCBOLYSA-N	424.035	5.244	30	20	HKED	
CCc1noc(-c2ccc(C)c(NC(=O)c3cn(CCCC#N)c4ccccc34)c2)n1	469528328	BXOFONSRLQTNNT-UHFFFAOYSA-N	413.481	5.118	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	470392683	HBVIVDLOZGXLGV-SFHVURJKSA-N	421.394	5.684	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1	471057456	QSUYXBNKYRTPCI-PGRDOPGGSA-N	411.530	5.733	30	20	HKED	
C=CCN(C(=O)c1nn(-c2ccccc2)cc1C)c1nc(-c2ccccc2)cs1	471348259	KBJYROYXLYIDOU-UHFFFAOYSA-N	400.507	5.137	30	20	HKED	
N#CCCn1ncc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c1-c1ccccc1	478259551	XTQPKHACFUWMCY-UHFFFAOYSA-N	418.928	5.137	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1	480737921	FROZWMACNIVXRZ-UHFFFAOYSA-N	419.978	5.379	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1	480995471	WZTUWTAEVTVBCV-UHFFFAOYSA-N	401.919	5.893	30	20	HKED	
C=CCc1cc(C(=O)Nc2cc3sc(C)nc3cc2Cl)cc(OC)c1OC	484665852	VOBWRBAHFXOQBJ-UHFFFAOYSA-N	402.903	5.256	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1Br)c1cc(F)c(F)c(F)c1F	484791329	BTNXUHYCPVOVLR-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Oc2cccnc2)cc1	489879079	ACDJPKBBOYPRGO-FQEVSTJZSA-N	412.537	5.061	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cc(Br)c(OC)cc1OC)c1ccccc1	491038339	ROFAZGGWTODHNM-OAHLLOKOSA-N	404.304	5.155	30	20	HKED	
C=CCN(C(=O)c1c(F)ccc(C)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	499130274	JBFQSTWLMPVTJL-UHFFFAOYSA-N	415.421	5.138	30	20	HKED	
O=C(CCOCC(F)(F)C(F)F)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	500106025	OAZSLXURZPKCMQ-AWEZNQCLSA-N	415.349	5.066	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)Cc3noc(C)c3C#N)cc2)c1	500607687	WQFXPUKISAXELZ-UHFFFAOYSA-N	403.482	5.047	30	20	HKED	
CC[C@@H](C)Oc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	501455475	AGVREUNCNPBGPK-LJQANCHMSA-N	416.525	5.510	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	504006983	UABOEJBAFIVUBI-UHFFFAOYSA-N	421.349	5.857	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1	505832054	KEZLTBGHVOJWIB-NRFANRHFSA-N	413.864	5.657	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)cc1	509209033	GPNTUNXDEQIDDI-UHFFFAOYSA-N	419.447	5.064	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C	512850566	JSHLAZOTCKHBMN-UHFFFAOYSA-N	422.488	5.370	30	20	HKED	
C[C@@H](OCCCNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1	513108878	SZKRRJOQLGDBSP-HXUWFJFHSA-N	414.505	5.035	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccccc2Oc2cccc(Br)c2)n1	513666381	MARRYYVDOOPPMP-MRXNPFEDSA-N	413.296	5.496	30	20	HKED	
N#C[C@@H](C(=O)c1cccc2cccc(Br)c12)c1ccc(C(F)(F)F)cn1	513723866	BJMYLRILNALTMT-CQSZACIVSA-N	419.200	5.506	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N(CC2CCCCC2)C2CC2)cc1	515796214	DRMQNZRUKFMNGU-UHFFFAOYSA-N	417.553	5.908	30	20	HKED	
N#CCc1ccnc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1	517065254	MGQLXCHJMDGLDV-QFIPXVFZSA-N	407.926	5.262	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	517108640	GNAMNORCAMXLTR-GOSISDBHSA-N	411.575	5.326	30	20	HKED	
C=CCn1c(SCc2sccc2Br)nnc1-c1ccc(F)cc1	520353953	WRAXHSCBEWBEOI-UHFFFAOYSA-N	410.337	5.387	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)c2)cc1	523154801	FGJLQHBMZXGRTL-UHFFFAOYSA-N	419.868	5.369	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1	524380794	YODUPWMJEDSXRK-RBUKOAKNSA-N	400.478	5.413	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)c2)cc1	525561619	NPFNHCQXFPTBFB-GGAORHGYSA-N	418.443	5.352	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c1	533999919	BNJMPXKBUNZUCU-JOCHJYFZSA-N	403.869	5.280	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](c2cccnc2)C2CC2)c1	533999922	BNJMPXKBUNZUCU-QFIPXVFZSA-N	403.869	5.280	30	20	HKED	
Cc1c(Cl)cc(F)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1F	534191836	BWAFIMGFDXTGDJ-UHFFFAOYSA-N	402.784	5.223	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1Cl	536329536	OJYCZADNOKJICG-IEBWSBKVSA-N	423.925	5.556	30	20	HKED	
COc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)cc1OCCCC#N	538001582	CPOMLSWMGBKTGA-UHFFFAOYSA-N	411.505	5.206	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1	542699603	INIZWZFVIQZKHA-HNNXBMFYSA-N	407.564	5.149	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	543135047	ZFOYTFITMZHAIK-UHFFFAOYSA-N	414.509	5.400	30	20	HKED	
C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1	552838956	IXFJCWODXSFBAF-MGPUTAFESA-N	416.443	5.109	30	20	HKED	
C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(CC#N)CC1	554609806	RKZVYMFIJNFJAV-UHFFFAOYSA-N	424.508	5.069	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571453891	KBOXUNOZGFBALO-AWEZNQCLSA-N	408.408	5.249	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)C3(c4cccnc4)CCCC3)cc2F)c1	583373841	ZJRYGLWKOIDJIR-UHFFFAOYSA-N	415.468	5.122	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCN4c5ccccc5C[C@H]4C3)c2)cc1	589243989	WRUQTRNMBUZDFR-QFIPXVFZSA-N	424.504	5.019	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c1	589740274	OVGLRMQZTUYTIR-UHFFFAOYSA-N	407.445	5.290	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1OC	592973692	IUQATBFPFCJKBO-ZDUSSCGKSA-N	418.877	5.376	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cncc(Br)c1	603533276	ZHERAMUQCYEQLO-UHFFFAOYSA-N	424.273	5.010	30	20	HKED	
C[C@H](SCC(=O)Nc1sc2c(c1C#N)CCCCCC2)c1nc2ccccc2[nH]1	603996010	AARVIZFTQWAUNK-AWEZNQCLSA-N	424.595	5.588	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c[nH]cc1-c1ccc(F)cc1	607887472	GGCCAQOCHDDEJR-RYUDHWBXSA-N	422.344	5.460	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cs1	608918846	ZLCRYLJAFONARS-KRWDZBQOSA-N	418.566	5.671	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1	609054594	ZTAXUXJHWCECSK-UHFFFAOYSA-N	410.429	5.775	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1	609722643	PKTIIBVUXVMQSA-UHFFFAOYSA-N	402.759	5.674	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3ccccc3C#N)c12	609965866	OQGHQLNSNMONNS-UHFFFAOYSA-N	422.366	5.341	30	20	HKED	
C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	610017120	HZLKBPGBUGOLOF-INIZCTEOSA-N	401.441	5.641	30	20	HKED	
COc1ccc2sc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c(C)c2c1	610224237	QOQCUXURANJNML-UHFFFAOYSA-N	415.474	5.530	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	610666234	WGIQPRDQFXZJEE-KBPBESRZSA-N	424.957	5.765	30	20	HKED	
Cc1ccccc1-n1c(S[C@@H](C#N)c2ccc(Cl)cc2)nnc1-c1cccnc1	619863980	KJXUSGPEVIZERR-FQEVSTJZSA-N	417.925	5.648	30	20	HKED	
C=CCN(C(=O)Cc1sc(C)nc1-c1ccc(C)cc1)c1nc2c(s1)CCCC2	623331617	YGFPBFGJUYIFGU-UHFFFAOYSA-N	423.607	5.524	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1	662025731	VQHHYGCRSFGPOZ-QGZVFWFLSA-N	420.582	5.375	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)s3)n2)cc1	671757740	VNDIWTWBHXUYAU-LBPRGKRZSA-N	408.426	5.389	30	20	HKED	
N#C[C@H](C(=O)c1ccn(C2CCCC2)n1)c1nc2cc(C(F)(F)F)ccc2s1	675643645	UHVHEPMARXCVAO-CYBMUJFWSA-N	404.417	5.117	30	20	HKED	
C=CCN(C(=O)c1sc(NC(=O)C(C)(C)C)cc1C)c1nc2c(s1)CCCC2	685470389	RLXZKRYQATYEGH-UHFFFAOYSA-N	417.600	5.209	30	20	HKED	
CCN(C(=S)N[C@H](C)c1ccc(Cl)cc1Cl)[C@@H](C)c1ccc(C#N)cc1	726480921	OKCYDNBFHJZMOK-KGLIPLIRSA-N	406.382	5.884	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1	726732239	CPORDPCUBDBTDU-QGZVFWFLSA-N	422.481	5.223	30	20	HKED	
CC(C)c1ccc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1	727845689	VDEARMXDPIVBTB-HSZRJFAPSA-N	419.550	5.363	30	20	HKED	
COc1cc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)ccc1SC(F)F	727975964	YTFAYTSFSADVMQ-CSKARUKUSA-N	403.475	6.030	30	20	HKED	
CCC(CC)CN(CCC#N)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S	729470180	GLHRMGKVEOAHAJ-UHFFFAOYSA-N	420.586	5.075	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(OCC(C)C)cc2)cc1	730396065	LPTSXBRILFGALQ-FDDCHVKYSA-N	406.526	5.125	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(C(F)(F)F)cc1	730419862	DQLZMYRGGXQIEB-NHYWBVRUSA-N	406.404	5.824	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	730920305	JKTGQBHSCSGWSR-VXNXHJTFSA-N	404.469	5.444	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc2c(c1)CCC2	730955227	VESMUBNWXCWUIO-UHFFFAOYSA-N	421.513	6.009	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C	731069750	PVZWEUVWRYLMPK-JBVUFVISSA-N	422.550	5.201	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccccc3)ccc2Cl)c1	733771369	NRHXQQCDMROVFX-HXUWFJFHSA-N	404.897	5.618	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2s1	734111098	PGYKPEBXTVUNDN-HNNXBMFYSA-N	415.543	5.810	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2)cs1	734965885	OYHKSOQORMBCKV-SOUVJXGZSA-N	414.864	5.722	30	20	HKED	
CSc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1	735978327	CUWNFDDSWSFUJF-UHFFFAOYSA-N	403.433	5.115	30	20	HKED	
CCc1ccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	739141743	BDXCYDAGDZBZSH-KSSFIOAISA-N	419.550	5.208	30	20	HKED	
COc1cc(C=NNc2nc(Cl)c(Cl)cc2Cl)c(SC)cc1OC	741161913	MLUAGKAWBASCNZ-UHFFFAOYSA-N	406.722	5.227	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21	741194827	OOQORVRZZLTCIF-QRWLVFNGSA-N	404.491	5.070	30	20	HKED	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2cc(C#N)ccc2F)c1	742383886	VILAAONSMCZVLC-UHFFFAOYSA-N	414.459	5.287	30	20	HKED	
CC(C)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2	746778625	OYJAYRKUVKFGTN-QFIPXVFZSA-N	412.489	5.030	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1SC1CCCC1	754359797	ZWLWNKDFKNUWSD-UHFFFAOYSA-N	404.894	5.668	30	20	HKED	
Cc1ccc([C@H]2C[C@H](OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)CCO2)cc1	757520710	NWGOVCRMWDUFTF-ZJSXRUAMSA-N	417.461	5.116	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1	763520692	KUIOJYLFRRTBSD-GVDBMIGSSA-N	419.591	5.116	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1	766253522	CDJOVHMMPMQCQL-INIZCTEOSA-N	419.308	5.117	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1	774038852	ZXJKRYHDSSEWCO-OAHLLOKOSA-N	412.946	5.450	30	20	HKED	
C[C@@H](N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)c(F)c1	779083231	VWZMEHNLEVSSPK-QRQCRPRQSA-N	409.505	5.773	30	20	HKED	
Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)no1	779596330	GYKKWOGHTYYLQM-VXKWHMMOSA-N	415.497	5.183	30	20	HKED	
Cc1nc(C)c2c(C)c(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)sc2n1	782379585	ATXHRQJDTMBDHO-INIZCTEOSA-N	412.562	6.006	30	20	HKED	
CC(C)N1C(=O)C[C@H](/N=C\c2cc(Cl)ccc2O)[C@@H]1c1ccc(Cl)c(F)c1	782881686	XNVZVQZZTSDRDL-HGOVKBSWSA-N	409.288	5.008	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C	789718506	HXZKYLNLHPWNAI-GOSISDBHSA-N	418.603	5.220	30	20	HKED	
O=C(/C=C\c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc2nc(O)oc2c1	794719662	NDJRFBJDEIJYJQ-WAYWQWQTSA-N	417.273	5.860	30	20	HKED	
CC(C)O[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	796757345	WOTFAALLNHITPU-BEFAXECRSA-N	418.440	5.658	30	20	HKED	
CCOC(=O)/C(=C/c1cccc(OCC#N)c1)c1nc(-c2ccc(C)cc2)cs1	797406417	TVGIKPCSXROFFC-XSFVSMFZSA-N	404.491	5.125	30	20	HKED	
N#C[C@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	802045521	OGYIHDDGUVOLBT-DOMZBBRYSA-N	412.795	5.856	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	806222357	JXLJCDUWKGYACM-XMMPIXPASA-N	423.516	5.088	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)CCCCCC#N)CC(C)(C)O2	810958371	QAMICNSELOHVTF-GOSISDBHSA-N	415.534	5.226	30	20	HKED	
O=C(/C=C/c1ccc2ccc(Br)cc2n1)c1ccc(Br)nc1	811696124	JNYLJQYCZCRMAC-VOTSOKGWSA-N	418.088	5.051	30	20	HKED	
COc1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1OCc1cccnc1	915048552	HOHWWYVIBOFSRU-UHFFFAOYSA-N	401.388	5.134	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)n1	915098493	URTJULLBPIVILG-INIZCTEOSA-N	421.572	5.844	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1	916683816	LHPAQWUALNGUFM-UGKGYDQZSA-N	420.900	5.661	30	20	HKED	
CSCc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12	916936211	DFGYYSWKKCRPDM-CYBMUJFWSA-N	416.861	5.049	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(C(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	917047149	SAPBLMOYBSANLZ-ZDUSSCGKSA-N	410.804	5.224	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc3ccccc3o2)cc(Br)c1OC(F)F	917143691	NIMGJXNNZJGXLM-SREVYHEPSA-N	423.209	5.701	30	20	HKED	
Sc1nnc(-c2cccc(Br)c2)n1N=Cc1ccc2ccccc2c1	917595002	TYZWGOKWLGOZJZ-UHFFFAOYSA-N	409.312	5.032	30	20	HKED	
CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1cc(-c2ccccc2)cs1	917879006	FEHVHUNYTWDBKC-OAQYLSRUSA-N	408.523	5.073	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C\c1csc(COc3ccc(Cl)cc3)n1)CO2	918714155	YWLAUMMXUHFMTK-JYRVWZFOSA-N	413.882	5.043	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(OCc3ccccc3)c2)cc1	919712373	HICOWQYXRFKTEX-RUZDIDTESA-N	419.484	5.568	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1	920103842	DHNLNLSOUROGAO-HXUWFJFHSA-N	414.505	5.346	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(Oc4cc(F)cc(F)c4)cc3)c(=O)c2c1C	921254989	HLEHDULDDXRNAG-UHFFFAOYSA-N	411.433	5.028	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC3(F)F)CCC2)cc1	1789628757	ZWGGDSSJQDNVMZ-OAQYLSRUSA-N	404.501	5.158	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cccc(C)c1	11268992	FMPQGJVHFAQJOI-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)cc1	22255151	AURBWHCEFHVPDV-SFHVURJKSA-N	420.538	5.089	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)nc(C)n1	41560968	KWIDUOXYNSXDQT-OAHLLOKOSA-N	416.428	5.034	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)cnc21	45853607	FXGQONWJYCAWJY-UHFFFAOYSA-N	413.506	5.287	30	20	HKED	
CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1	47446670	MMVLNZZXQFMLEC-IBGZPJMESA-N	411.505	5.342	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(NC(=O)c3cccs3)c2)sc2c1CCCCC2	60915443	DPXFAGVQDOEHJE-UHFFFAOYSA-N	421.547	5.455	30	20	HKED	
O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(I)cc1	63277103	PZHPDGACILYYLN-AATRIKPKSA-N	423.300	5.372	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1C	64530008	SDSAGRFKHJFFHX-IBGZPJMESA-N	417.431	5.485	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C\c1ccccc1C#N	206007873	LOMQFGZLKIJOSJ-MSUUIHNZSA-N	418.500	5.083	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)c(F)c1	255952281	OQVJHSZDJGGGOI-OAHLLOKOSA-N	408.473	5.620	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1	303367606	JARDGOHNSNTRDI-UONOGXRCSA-N	405.470	5.422	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2cc(Cl)cs2)cc1	303664782	BYDYXZDZZLLTHK-UHFFFAOYSA-N	412.917	5.574	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(OC)cc1	409624088	UPKJHTSOYSBZEC-CQSZACIVSA-N	421.310	5.056	30	20	HKED	
C=CCCOCCCCC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	410175249	TZHDDABFZVJCMS-UHFFFAOYSA-N	401.444	5.256	30	20	HKED	
CCN(CCCC1(C#N)CCOCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1	410331285	WMSOTOANWNSBKZ-UHFFFAOYSA-N	420.475	5.888	30	20	HKED	
COc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1OCC(F)(F)F	426456673	DLWKBILIQLQOII-UHFFFAOYSA-N	411.273	5.047	30	20	HKED	
C=CCc1cc(CN[C@@H](CCC(=O)O)c2ccc(Cl)c(Cl)c2)cc(OC)c1O	426792328	IXHVWVCFLRXQKB-SFHVURJKSA-N	424.324	5.132	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)sc2ccc(C#N)cc12	428179952	WCPUFVVJZYPYJO-UHFFFAOYSA-N	415.396	5.146	30	20	HKED	
CC[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[C@@H]1c1ccccc1	428622366	RMZWZBYEVFSFCN-OFNKIYASSA-N	412.537	5.120	30	20	HKED	
COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1C	431703770	SPOOGDDBVSXOMO-GOSISDBHSA-N	414.303	5.007	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)s1	431920721	FSUGCEGNCDMLIM-ZFWWWQNUSA-N	406.349	5.306	30	20	HKED	
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	432763845	QWTHIHSKZMCVQA-QHCPKHFHSA-N	418.541	5.224	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F	432863705	FCBAOWINVZWNAB-PIGZYNQJSA-N	411.424	5.487	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1	434009068	USSPJQMIWLQWIO-CQSZACIVSA-N	404.495	5.118	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)cc1	435970391	WNGDNLKLLUDMDB-ZKMPZPQNSA-N	410.542	5.309	30	20	HKED	
CC(C)(C#N)CCCC[S@](=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1	436113534	VPMPFQQBNRCISV-LJAQVGFWSA-N	405.567	5.508	30	20	HKED	
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1	437638360	GCBVXDSHHJBUGF-QFIPXVFZSA-N	405.441	5.131	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2)o1	438491160	KEDFMWGZKXKGGM-UHFFFAOYSA-N	420.538	5.392	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1cc(F)ccc1F	439675158	RBHUROOFIITZQG-CYBMUJFWSA-N	411.383	5.207	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@H]1CCN(CC)C[C@@H]1C)c1ccc(C(F)(F)F)cc1	442296402	MWAFYEOLYBMIDO-VDGAXYAQSA-N	411.512	5.084	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc2cc(Cl)ccc2s1	442667806	AQMXOZJLTMHWNY-LBPRGKRZSA-N	414.273	5.748	30	20	HKED	
Cc1cccc(-c2nnc(S[C@@H](C)c3cccc(C#N)c3)n2Cc2ccco2)c1	442898949	MGFAJPWMKOPQDC-KRWDZBQOSA-N	400.507	5.620	30	20	HKED	
Cc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)cc1O	444909059	ZKUBOLRWQARDLR-UHFFFAOYSA-N	405.429	5.243	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(F)c1F	461093577	WVSHHPFBXPTOOE-UHFFFAOYSA-N	424.378	5.009	30	20	HKED	
C=CCOCCCC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	464079915	WKHZOJGXTUDWOD-ZDUSSCGKSA-N	423.376	5.041	30	20	HKED	
CCN(CC)CCSCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	468437068	IUVNYMPUKKCFJI-HXUWFJFHSA-N	415.990	5.009	30	20	HKED	
C=CCC[C@H](NC(=O)Cc1ccccc1NC(C)=O)c1ccc(C(F)(F)F)cc1	469688526	BORWBZGSIBHTKS-IBGZPJMESA-N	404.432	5.030	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)n1	471210967	CJWZFVVROTXCQQ-LLVKDONJSA-N	405.310	5.780	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(C(C)(C)C#N)cc3)s2)cc1	476066875	YYXRBHINIVQANP-OAHLLOKOSA-N	419.550	5.419	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(COc2ccccc2C#N)c1	476119982	AFZRLXRRADHBLP-UHFFFAOYSA-N	410.517	6.241	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12	477569042	FDIITMKMVMZTEP-SANMLTNESA-N	405.501	5.642	30	20	HKED	
C=C(C)[C@H](NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1)c1ccc(F)c(F)c1	478909330	KBYRUBSSFVDNAG-QFIPXVFZSA-N	419.493	5.081	30	20	HKED	
Cn1cc(CNc2cccc(COCCc3ccccc3)c2)c(-c2ccc(C#N)cc2)n1	480038011	AGWCVSBFOGLOOG-UHFFFAOYSA-N	422.532	5.330	30	20	HKED	
COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)C(F)(F)F)cc1	482289379	VQFKBGDPBUTIQH-HXUWFJFHSA-N	419.447	5.038	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@H]1CCCc2nc(CC)sc21)c1ccc(F)c(F)c1	483316532	URTWKELQEUKQDX-HKUYNNGSSA-N	405.514	5.320	30	20	HKED	
Cc1cccc(OCCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	488011680	UMSMPEFDGCVRIY-UHFFFAOYSA-N	402.469	5.004	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)c(Cl)cc2F)cc1	488253107	RBALQQKGZVGAJI-UHFFFAOYSA-N	412.823	5.516	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1	494751754	NQLBTLOZSUDCHQ-HNNXBMFYSA-N	424.957	5.737	30	20	HKED	
N#Cc1ccsc1C(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1	497987812	DFYUARJYCQTFLT-UHFFFAOYSA-N	415.543	5.633	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(Cl)cc1	499803152	RFWZDPALGVEEPC-JOCHJYFZSA-N	416.864	5.660	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cc1	503876392	QPVPMHRJOUEXIB-UHFFFAOYSA-N	423.447	5.291	30	20	HKED	
N#C[C@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1ccc(Cl)c(Cl)c1	505928878	WAOOCACPSUIKHJ-INIZCTEOSA-N	424.209	5.555	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(Cl)cc1	510905371	FXRKAWRXQBFCCF-UHFFFAOYSA-N	405.885	5.976	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(-c2ccccc2)cc1	515195716	TVFFNJFXEJRVMW-UHFFFAOYSA-N	419.484	5.902	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCc1nc(-c2cccs2)no1	515689192	JXGYYOJWNXXUBJ-UHFFFAOYSA-N	420.519	5.360	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1Nc1ccc(OC(F)F)cc1	516844629	ONJQRHYJQORUKW-UHFFFAOYSA-N	407.420	5.175	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccccc3SC[C@H](C)C#N)[nH]c2c1	517472866	CZHMWLBDVKJHSY-OXQOHEQNSA-N	419.554	5.492	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C)c1	518382136	QNQLIJQIDMVQMJ-KRWDZBQOSA-N	417.534	6.197	30	20	HKED	
Cc1c([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cnn1-c1ccc(F)cc1	519071931	PLQJKAGZXHYJSG-KRWDZBQOSA-N	424.479	5.350	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	520711918	DYTGSENXTOLASS-SJLPKXTDSA-N	420.862	6.114	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccccc1Br	520829524	BGNOSLOTVGYVEL-AWEZNQCLSA-N	403.345	5.272	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)c(C)c2c1	521259750	QHLMGMUSXKLETA-GDBMZVCRSA-N	423.538	5.884	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3cccnc3)c2)c1	522302535	DSFGMFWOZRVTCK-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(Cl)c1Cl	522777703	STQSLCWCXWJBNX-CHWSQXEVSA-N	408.354	6.270	30	20	HKED	
C=CCn1c(SCC2CCOCC2)nc2sc(-c3ccccc3)c(C)c2c1=O	522828921	CKORIZCCCAYUBV-UHFFFAOYSA-N	412.580	5.138	30	20	HKED	
N#CCN(C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1ccccc1	523280436	WCOHGIBCAPPLMB-UHFFFAOYSA-N	416.864	5.836	30	20	HKED	
CO[C@@H](C)c1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	524166570	OIWHHCKDLWYGTD-SFHVURJKSA-N	402.498	5.040	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1	524198982	GJZONMBNVRGKHU-QMHKHESXSA-N	404.539	5.057	30	20	HKED	
C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524437470	NRHQVKNFLUENIL-KRWDZBQOSA-N	419.912	6.016	30	20	HKED	
C[C@H](Sc1ccccc1C#N)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	525083345	MYXNTNVQJXSJON-NSHDSACASA-N	401.463	5.079	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc2nc(C(F)F)[nH]c2c1	527267403	OCXFDBMCMUPXAW-UHFFFAOYSA-N	421.272	5.373	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(F)c(F)c1	536941980	QXBIUOFBOHASNT-JOCHJYFZSA-N	423.419	5.138	30	20	HKED	
COc1cc(C#N)ccc1CN[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1	539252377	KMLIAVZVTFSFEL-GOSISDBHSA-N	402.494	5.005	30	20	HKED	
CCN(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccc(C#N)c(Cl)c1	540610235	PAWHAUVUGOYENE-UHFFFAOYSA-N	416.758	5.081	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	540815797	NAHDRUDOVIYIFU-UHFFFAOYSA-N	411.383	5.432	30	20	HKED	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	541139103	CQGBVJSWPPLEAC-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
Cc1ccc(C2CCN(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)cn1	543970161	JORLDEJPFOEVEV-FQEVSTJZSA-N	424.548	5.579	30	20	HKED	
Cc1ccc(SC2CCCC2)c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1	554542064	HTECLTRCPRFEKY-UHFFFAOYSA-N	405.567	5.122	30	20	HKED	
C[C@@](C#N)(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCCCC1	559597527	XQYLXFXHAAOFDO-DEOSSOPVSA-N	418.566	5.219	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	568809552	TVORBRGMXFWNTM-QGZVFWFLSA-N	415.276	5.174	30	20	HKED	
CN(C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1	577560189	JSVXTVLKCOSBCX-WGRBQBNCSA-N	411.361	5.456	30	20	HKED	
N#Cc1cccc(C2(N[C@H]3CCCc4c3[nH]c3ccc(Br)cc43)CC2)c1	581195991	AUYHHMCZYPEYDZ-FQEVSTJZSA-N	406.327	5.458	30	20	HKED	
C=C[C@@H](CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1	583581105	ZAGSGYVULVQQDL-GAJHUEQPSA-N	417.471	5.649	30	20	HKED	
C[C@@H](Sc1nc2cc(Cl)ccc2o1)C(=O)N(CCC#N)c1ccc(F)cc1	597229767	BANSQGNDHAHEDR-GFCCVEGCSA-N	403.866	5.048	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1Cc2ccccc2S1	603532735	OEQQMHNBQHNOBR-QHCPKHFHSA-N	402.494	5.256	30	20	HKED	
Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1NC(=O)c1ccccc1	603589537	WNHFKBKYUBJAJW-UHFFFAOYSA-N	411.505	5.170	30	20	HKED	
N#Cc1cccc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)c1	603749946	LZYRAVJNURZGQF-FQEVSTJZSA-N	407.267	5.080	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cn2)cc1	603765440	USZMWMMVZRCTFG-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2ccc(Cl)cc2)cs1	603836551	DCKBEHDILYTBHV-OAHLLOKOSA-N	423.837	5.608	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2cccs2)c2ccc(F)cc2F)cc1	603994314	QUEUAMIEFPHMOK-UHFFFAOYSA-N	414.502	5.365	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Br)c2)cc1	604003600	KKUCRFKKJDHNKL-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
Cn1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C(F)(F)F	604027423	YYISJOPAFULKPN-UHFFFAOYSA-N	420.778	5.009	30	20	HKED	
COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)C2	609137797	BNRCDEFHZGEDRP-UHFFFAOYSA-N	413.477	5.339	30	20	HKED	
N#Cc1cc(NC(=O)N(Cc2ccco2)C2CCCC2)ccc1OCC(F)(F)F	609469041	CIBSSPJMLAFZAB-UHFFFAOYSA-N	407.392	5.069	30	20	HKED	
N#CCn1c(C(=O)N2CCCc3cc(OCc4ccccc4)ccc32)cc2ccccc21	609645553	JPMJWSAABNEFRG-UHFFFAOYSA-N	421.500	5.337	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNc2c(C#N)nnc3ccccc23)cc1	610129571	LTCXMCBSZJYOFK-UHFFFAOYSA-N	411.465	5.090	30	20	HKED	
COc1ccc(-c2nnc(SCCC(C)(C)C#N)n2C2CCCCC2)cc1OC	610165551	KGSBDVAJPVZKBZ-UHFFFAOYSA-N	414.575	5.499	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Br)cc3cccnc23)sc2c1CCCC2	611157704	OYZGBYPBNURXJY-UHFFFAOYSA-N	412.312	5.062	30	20	HKED	
COc1ccc(F)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613347072	WOXZRMNMOQGAAN-AWEZNQCLSA-N	421.280	5.755	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc2cc(Cl)ccc2s1	613402773	HMWNOBNHWATYFZ-CYBMUJFWSA-N	413.285	6.353	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1	615971216	CSZHTFALXXXKDP-UHFFFAOYSA-N	402.469	5.215	30	20	HKED	
O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642634364	AQFCPRCSVNNGFI-JZYVYDRUSA-N	420.300	5.319	30	20	HKED	
C=C(C)CN(CC)C(=O)CSc1nnc(SCc2ccc(C(C)C)cc2)s1	647610110	CMQCLCMTJCWDCV-UHFFFAOYSA-N	421.657	5.471	30	20	HKED	
CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	677298911	BKLDHOSTYJSDBQ-BFJAYTPKSA-N	413.377	5.591	30	20	HKED	
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728062576	PAKONGVHNXPHDZ-VQTJNVASSA-N	413.521	5.124	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	728174950	CHMNQIAXVKUDIB-UHFFFAOYSA-N	407.470	5.094	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)c1	728227347	HOPDRDMICVBKHK-UHFFFAOYSA-N	401.922	5.597	30	20	HKED	
N#C[C@H](NC(=O)/C=C/c1ccc(Cl)s1)c1ccc(OCc2ccccc2)cc1	729369488	GMEPSSPJHOJYSM-RPAADVPWSA-N	408.910	5.375	30	20	HKED	
N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc2cc(F)ccc2s1	730416847	IXDVCOPMXILSNF-CQSZACIVSA-N	409.417	5.039	30	20	HKED	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)CC1	731117625	XLHBKOZSPRDJCJ-LJQANCHMSA-N	422.598	5.496	30	20	HKED	
N#CCOc1ccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1	731158524	CGPVUOQOMMBIHR-UHFFFAOYSA-N	401.466	5.631	30	20	HKED	
CSc1ccc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)cc1	731664282	HMVSVDPPAHCBBK-UHFFFAOYSA-N	401.535	5.459	30	20	HKED	
Cc1nc(NC(=O)c2sc3cc(C(C)C)ccc3c2Cl)sc1SCC#N	732633230	GGVAXADPFYLLNL-UHFFFAOYSA-N	422.000	6.311	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)c1	733846138	AJVBGJUYJVVNLA-OAQYLSRUSA-N	423.557	5.137	30	20	HKED	
COc1cc(COC(=O)[C@H](C)c2cccs2)ccc1OCc1cccc(C#N)c1	738784754	QBKADVWWRISNNB-MRXNPFEDSA-N	407.491	5.054	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN(CC)[C@H](CC)c2ccncc2)c1=S	739888781	VTXRLPAURCNLKK-OAQYLSRUSA-N	407.587	5.401	30	20	HKED	
CC(C)COC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccco1	740043565	HKVXPHGPOYWFNZ-HXUWFJFHSA-N	423.538	5.093	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	743092882	GABYXHRXHAFMKL-UIOOFZCWSA-N	409.533	6.410	30	20	HKED	
CC(C)c1ccc(C2(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)CCCC2)cc1	744983570	FXVUFFAPPOZXIC-UHFFFAOYSA-N	415.493	5.287	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)N[C@H](C)c1ccccc1	745723953	GTQIQYMOPJMVOR-GOSISDBHSA-N	403.526	5.648	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Cl)c(Cl)c1	747113921	OOTYEFQQDAGHNQ-FZMZJTMJSA-N	402.306	5.492	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)C(C)C)c1	757643532	AAUWAZPSPIDKNI-UHFFFAOYSA-N	418.518	5.046	30	20	HKED	
C=C[C@H](CC(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	758911458	BLPIRQGQEIJCOL-GFCCVEGCSA-N	412.700	5.488	30	20	HKED	
COc1ccc2oc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cc2c1	763347035	VFTVKEAEHYQNFL-UHFFFAOYSA-N	415.474	5.070	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl	764054086	PGAJGOJMIGOLBZ-JTHBVZDNSA-N	419.912	5.505	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2cccnc2OCC(F)(F)F)cc1	764859393	BQBXFENGFFFTIX-AWEZNQCLSA-N	400.828	5.005	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1=S	765000239	HQKGVWADGUINHL-PXNSSMCTSA-N	423.561	5.027	30	20	HKED	
C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(OCc2cccnc2)cc1	774972542	SYCXKHLEWXKSAA-QGZVFWFLSA-N	407.901	5.067	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	775228031	RUCYBKSAZHIENL-IBGZPJMESA-N	417.534	5.614	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(F)cc2Br)cc1	776781545	JTHOGUYOSHQTKV-HXUWFJFHSA-N	423.285	5.425	30	20	HKED	
C=CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	778560041	ZIXKUHKTHBPEHP-NVXWUHKLSA-N	405.416	5.326	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	779058508	ADLJTQUROBNCMG-QGZVFWFLSA-N	413.518	5.128	30	20	HKED	
CCN(CC)[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1cccc(C(F)(F)F)c1	780319132	MEMNQZINVDPWKD-APWZRJJASA-N	415.415	5.106	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	780678084	PRXLYHWNLJRKMS-KKSFZXQISA-N	420.900	5.131	30	20	HKED	
COC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1	781448658	LFETVGXMYGQBOT-HGMXIMQMSA-N	409.338	5.498	30	20	HKED	
C[C@@H](CN(C)C(=O)c1ccccc1SCC#N)Oc1ccc(Cl)c(Cl)c1	787522405	YPLAPKFPLSCLAP-ZDUSSCGKSA-N	409.338	5.149	30	20	HKED	
N#Cc1ccc(CSc2nnc(NCc3ccc(N4CCCCC4)cc3)s2)cc1	790519143	YTVXCZYTFHTCLX-UHFFFAOYSA-N	421.595	5.304	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2)n1	792103985	VUMNGDHMUOGWLI-FQEVSTJZSA-N	415.543	5.782	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3ccc(OCC#N)cc3)CC2)n1	792481735	LXQYCUDPRLGBJE-UHFFFAOYSA-N	419.550	5.101	30	20	HKED	
CC(=NOCCCC1(C#N)CCOCC1)c1ccc(OCc2ccccc2C)cc1	799175820	RSHLIHZEJYTONQ-UHFFFAOYSA-N	406.526	5.415	30	20	HKED	
N#CC1(CCCOC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CCOCC1	800158167	WEHANVWRZAVMTQ-UHFFFAOYSA-N	424.444	5.086	30	20	HKED	
CC(C)(C(=O)O[C@H](C#N)Cc1ccc(F)cc1F)c1csc(-c2cccs2)n1	800403713	BAZQJILULMIRPM-AWEZNQCLSA-N	418.490	5.105	30	20	HKED	
Cc1cccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1Cl	810530133	WRZWVTYHWAMFTF-LJQANCHMSA-N	418.880	5.331	30	20	HKED	
N#CCCC[C@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1	817319131	KPJXNWISQWFIIR-BSKAQADGSA-N	406.835	5.837	30	20	HKED	
C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1	857313976	MLCVTFRWRZNWGG-LJQANCHMSA-N	417.484	5.152	30	20	HKED	
COc1ccc(-c2nc(/C=C\C(=O)c3ccc(NC(=O)NC(C)C)cc3)cs2)cc1	915114435	MRGDXNGKGFMSQJ-RAXLEYEMSA-N	421.522	5.245	30	20	HKED	
N#CCOc1cccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c1	915636204	PCEOGLQOPOLIOI-XSFVSMFZSA-N	402.500	5.148	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1	916907006	GMDHTHYDMQFUTA-ACRUOGEOSA-N	414.436	5.069	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1sc2ccccc2c1Cl	916926955	AEYWBTNFMWZIFQ-NSHDSACASA-N	423.708	5.823	30	20	HKED	
C[C@@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)csc2C1	916927873	PTDIOIULKSUULD-MFKMUULPSA-N	407.322	5.141	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(F)cccc2s1)c1nc2cc(C(F)(F)F)ccc2s1	917042954	JMZOTXWTGNHLRP-LLVKDONJSA-N	420.412	6.159	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c(C)n1-c1ccc(C(C)C)cc1	917505577	OZZRVWSGQGNOBI-QFIPXVFZSA-N	415.541	5.026	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1	920004187	XUSHDMHVHVNFJN-UHFFFAOYSA-N	423.497	5.536	30	20	HKED	
Cc1sc2ncn(N=Cc3cccc(OC(C)C)c3)c(=O)c2c1-c1ccccc1	921256786	YJXHLJGLTJSOTP-UHFFFAOYSA-N	403.507	5.103	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(C)n3)cc2)CCC1	1787169601	JVAXLAWFRHPFKH-QFIPXVFZSA-N	417.553	5.215	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(CC)noc3C)CCC2)cc1	1789456523	VYQGPIYYTWUOJZ-FQEVSTJZSA-N	421.541	5.062	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC)C2	1793051323	XNYAMVIJRIRMEF-WLXSAPIGSA-N	422.613	5.223	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1ccc(F)c(Cl)c1	10756327	CXRLRSXAJLPBGK-UHFFFAOYSA-O	413.925	5.380	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(O)c2)c(C)s1	10827668	CBKHZHUFKRPBMP-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(F)cc1	24014533	FHWDSDOHWGIZJU-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(C)cc3)no2)nnc1-c1ccc(OC)cc1	30924182	AATRAUMMBCQEIO-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
Cc1nc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1	45490018	FMDIONUGNVUXMU-LJQANCHMSA-N	410.930	5.125	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1SCCC#N	78669119	LOMRGJWFCKJGSN-UHFFFAOYSA-N	411.508	5.160	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[C@H](c2nc3ccccc3o2)C1	301539993	RTOOTMITUYIWBK-AWEZNQCLSA-N	420.419	5.233	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1	303090046	CZLNBDSLLNPBQB-OAQYLSRUSA-N	405.498	5.546	30	20	HKED	
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(C#N)cc1	303657101	CPXQOPJRJFLUSL-HNNXBMFYSA-N	420.925	5.965	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)CO1	304074775	UXQPSYSSPSUCQF-KBMIEXCESA-N	412.489	5.261	30	20	HKED	
N#Cc1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c(Cl)c1	426144746	WFRIIVIMUYPWID-UHFFFAOYSA-N	408.864	5.023	30	20	HKED	
CC(C)O[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	428181289	GELOXXQCFCSSSO-RUZDIDTESA-N	414.505	5.436	30	20	HKED	
CCCN(C)C[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	429094054	CVIPSUPSRALNIR-GCJKJVERSA-N	424.976	5.191	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1F	431830280	AAYLEJYUXABEIX-QRWLVFNGSA-N	415.509	6.118	30	20	HKED	
CS[C@@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	435600213	ZJFQNEFBKHOJNO-OAQYLSRUSA-N	409.555	5.195	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C(C)(C)C)no1	438674254	WSLKXPLCHCQTAZ-CYBMUJFWSA-N	423.448	5.053	30	20	HKED	
CCCc1c(NC(=O)Nc2ccc(COC(C)C)cc2)cnn1-c1cccc(C#N)c1	439230882	SYQSFNAISWBRIU-UHFFFAOYSA-N	417.513	5.265	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1	439341204	OTRPDCIQBGLHFB-UHFFFAOYSA-N	405.395	5.264	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cnn1-c1cccc(C#N)c1	439666158	UUIUKXDXMKQSJR-QHCPKHFHSA-N	413.525	5.374	30	20	HKED	
N#Cc1ccc(NC(=O)CCc2nc3cc(Br)ccc3s2)cc1Cl	443819199	XTAIBAQIPHMRFJ-UHFFFAOYSA-N	420.719	5.155	30	20	HKED	
C[C@H](C(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc(C#N)c1	461921082	TWURDJZZUAFWRU-SFHVURJKSA-N	418.516	5.062	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCn4c(cc5ccccc54)C3)cc2)cc1	463523103	XYXVECNMPXLZHC-UHFFFAOYSA-N	408.461	5.353	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc12	463750231	XOBLMFSJYYCOFY-AWEZNQCLSA-N	405.498	5.755	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	463820110	WZBDDECSCBUBSX-HOYKHHGWSA-N	401.485	5.142	30	20	HKED	
CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	467002604	ZXFCGHGUHYZEJB-UHFFFAOYSA-N	412.455	5.462	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	468680161	MZRNXDPESMCELS-UHFFFAOYSA-N	402.416	5.665	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](c2ccsc2)O1	470760781	SLCDIKXHJPSWGV-SBUREZEXSA-N	418.518	5.209	30	20	HKED	
N#Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)ccn1	475922448	XVCDWFRKWZBSAW-UHFFFAOYSA-N	402.504	5.032	30	20	HKED	
CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1ccc(C(C)(C)C#N)cc1	476108878	KLYKMEKGAGMUMO-UHFFFAOYSA-N	411.343	5.054	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	477450529	VCKHAGMCVHZWMO-KXBFYZLASA-N	421.488	5.624	30	20	HKED	
C[C@@H]1CCN(c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccn2)C1	478091327	VQRWDKWPCFBLJH-RDTXWAMCSA-N	422.941	5.195	30	20	HKED	
Cc1csc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1Cl	480168148	UTKLFUHAXIIZQE-UHFFFAOYSA-N	400.862	5.552	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)ccc1OC1CCCC1	482425509	XEBOGUNWZKWKQK-UHFFFAOYSA-N	418.921	5.357	30	20	HKED	
CCOc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)ccc1OCc1cccnc1	483236108	MUWHZPNHVCRBEM-JOCHJYFZSA-N	423.472	5.098	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nccc2ccccc12	483236563	OYHPGLLQAFEBKU-NRFANRHFSA-N	409.401	5.425	30	20	HKED	
O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	483531401	ULXXFBLYSIMTSF-UHFFFAOYSA-N	414.321	5.106	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1OCC(F)F	497535350	IFMJCTPSCRZIFF-UHFFFAOYSA-N	405.832	5.076	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C(C)C	499428587	WEQJGIUIQPMAGB-UHFFFAOYSA-N	416.525	5.365	30	20	HKED	
C=CCc1cc(CNCc2ccccc2CN(C)C2CCCCC2)cc(OC)c1O	500144909	JPQZXWZTFLNHQS-UHFFFAOYSA-N	408.586	5.184	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(Br)c1Cl	503152240	NLRSQQZIEZNJQB-LLVKDONJSA-N	409.736	5.607	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(COC4CCCC4)cc3)CC2)cc1	503480809	WZBVQRUTSQDQSK-UHFFFAOYSA-N	401.510	5.339	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(Br)c1Cl	504073801	TVTZRKRTKMZHEH-UHFFFAOYSA-N	417.715	5.955	30	20	HKED	
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CCC(C)(C#N)CC2)cc1	506320971	NMRBDJPFDSMDMA-UHFFFAOYSA-N	413.905	5.689	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	509844495	NUWJYGZCHFVTEE-UYAOXDASSA-N	401.432	5.055	30	20	HKED	
C=CCn1c(SCc2csc(CCCC)n2)nnc1-c1ccc(OC)cc1	510540228	OUEZKHAFCRHQGD-UHFFFAOYSA-N	400.573	5.231	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1CCCN(C2CCC2)C1	511284452	DFRIELOYVOPAGX-UYAOXDASSA-N	419.594	5.092	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1	512802089	QLCGAXUUTCJFMQ-ROUUACIJSA-N	423.532	5.081	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cs1	513677174	RQMPSOXQRNEGBJ-INIZCTEOSA-N	405.504	5.130	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	514149065	YHMXQVNVCVGZMW-LJQANCHMSA-N	412.493	5.204	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	518030480	WLDCHHYYAVROEV-RPBOFIJWSA-N	414.480	5.038	30	20	HKED	
CCOc1ccc(CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1	518038274	GVUGHQVSKBVRMB-UHFFFAOYSA-N	404.441	5.161	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc2cc(Cl)ccc2s1	518881701	DUHSKZULGOTYRP-QGZVFWFLSA-N	405.866	5.627	30	20	HKED	
CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	518909030	HUCCWPHRPBHVQY-NRFANRHFSA-N	401.466	5.025	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C[C@@H](CC(C)(C)C)C(=O)Nc1cc(C#N)ccc1C	522029252	NHUOZULKFGNRTB-FQEVSTJZSA-N	416.525	5.067	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1	523492870	VECMYWHNLNAEJH-UHFFFAOYSA-N	416.399	5.794	30	20	HKED	
COCCOc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	523949174	OALCBSQXLJLBAN-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	524228591	TVDGCRVGVQMTGW-UHFFFAOYSA-N	421.840	5.402	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1C	524565272	NTZFIMWFSPQJSN-QGZVFWFLSA-N	423.582	5.631	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1	525733908	MDIPERFUHDAFBM-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	531310179	AVYFSEJYGPAVIH-CQSZACIVSA-N	411.914	5.436	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1	531620668	LHNMMGFYWBCKJZ-DLBZAZTESA-N	417.575	5.057	30	20	HKED	
C=CCc1cc(CNc2cc(-c3nnc4n3CCCCC4)ccc2C)cc(OC)c1O	532725457	OSOQMDFNWUNYKK-UHFFFAOYSA-N	418.541	5.035	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)cc1	537453667	MYWWKRMLAKHXJX-IBGZPJMESA-N	410.517	5.751	30	20	HKED	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N	540557282	GYZPGQOPWOTCMR-SIFCLUCFSA-N	401.507	5.118	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	540841822	CIOPZMFVLDWKBH-UXHICEINSA-N	401.432	5.055	30	20	HKED	
C[C@@H](NCc1ccc(CC#N)cc1)c1nc(-c2ccc(Br)cc2)cs1	541640219	QKFGOUKWZFRRRS-CQSZACIVSA-N	412.356	5.489	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2	542006090	YGIVKAIRFJIJLK-SNVBAGLBSA-N	421.469	5.118	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	542952219	UUZRQHBNALGWRT-HNAYVOBHSA-N	411.575	5.570	30	20	HKED	
Cc1ccc(-c2nc(Cc3noc([C@@H](C)Oc4ccc(C#N)cc4)n3)cs2)cc1	547024307	PGLVIKYUALMJFT-OAHLLOKOSA-N	402.479	5.104	30	20	HKED	
N#Cc1cc(-c2nc(-c3ccccc3OCc3ccccc3)no2)cnc1C(F)(F)F	550975102	OXKFVKKOLWMEOJ-UHFFFAOYSA-N	422.366	5.268	30	20	HKED	
CSc1cccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2cc(F)ccc2F)c1	551556611	PNZBALZVLHRYQZ-HSZRJFAPSA-N	420.488	5.085	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21	554206877	RVGJWNCWTNVPAH-KHHDVDEJSA-N	405.567	5.738	30	20	HKED	
Cc1nc2ccccc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	557528154	IIRGISGVWZIFIT-UHFFFAOYSA-N	415.440	5.820	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1sc2ccccc2c1C	558754944	XAVGSLHVIWMHOM-UHFFFAOYSA-N	406.894	5.241	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1nc(-c2ccc(SC)cc2)ns1	569276150	SRWIHVYAPNTZFA-UHFFFAOYSA-N	402.570	5.209	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1	569393944	YHFLWKJOVGQRES-UHFFFAOYSA-N	421.516	6.230	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)CC2	569514067	VEPNWHOIAFLHEG-VXKWHMMOSA-N	400.444	5.322	30	20	HKED	
CC1(C#N)CCN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)CC1	577329264	HORSZTNVFZIJIL-UHFFFAOYSA-N	405.926	5.032	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N(C)[C@@H](C)c1ccc(F)cc1	579042146	JHLHTRKPKFNYAV-INIZCTEOSA-N	412.534	5.102	30	20	HKED	
CN(c1ccccc1)c1ccccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	592973776	KPCLQWLOTBXBNG-SFHVURJKSA-N	401.466	5.693	30	20	HKED	
FC(F)(F)c1ccc(OCCN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	593288985	AXHYCAUYHSEALK-VXGBXAGGSA-N	409.292	5.147	30	20	HKED	
C[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(C#N)cc1	603633417	FBJKIXQECQWXTE-HNNXBMFYSA-N	424.331	5.968	30	20	HKED	
Cc1ccccc1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2	603818315	AJSRXPUFNJYDPY-OAHLLOKOSA-N	403.507	5.130	30	20	HKED	
Cn1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(Cl)c2ccccc21	604241776	MUFSDTKFTGTAHG-UHFFFAOYSA-N	402.841	5.143	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	607305803	ROQJCGBPSYSAGR-NWDGAFQWSA-N	407.285	5.485	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCC(F)(F)F)c1C	609049338	GKFFXMZKSOXNQN-UHFFFAOYSA-N	423.391	5.064	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1	609080298	GMHBBHQDJACERB-FQEVSTJZSA-N	419.431	5.339	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OC(F)(F)F)cc1	609433110	UONZQFBTSVWXMH-ZDUSSCGKSA-N	409.433	5.301	30	20	HKED	
Cc1ccccc1C1CC(N(C(=O)CCCCOc2cccc(C#N)c2)C2CC2)C1	610193720	RIGADHJPLXKOTR-UHFFFAOYSA-N	402.538	5.353	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@@H]2[C@@H]3C(F)(F)F)cc1Cl	611190945	PUBQUPLDUBRJDE-MORSLUCNSA-N	406.791	5.027	30	20	HKED	
N#CCCn1cc(C(=O)COc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21	612734920	DHQSUTUWKQYACJ-UHFFFAOYSA-N	406.791	5.489	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccccc1OC(F)F	615675391	PWBAOORVVJQCKY-IBGZPJMESA-N	404.457	5.146	30	20	HKED	
Fc1cc(F)c(F)c(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1F	674375406	JBBWRYXDDSRSLA-UHFFFAOYSA-N	420.353	5.675	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nc2cc(F)ccc2s1	677564253	CBVDFYJXGRGXKI-QGZVFWFLSA-N	424.460	5.536	30	20	HKED	
N#C[C@@H](C(=O)c1cnc([C@H]2CCCO2)s1)c1nc2cc(C(F)(F)F)ccc2s1	677710789	UJVWEPUKUBDWAW-CMPLNLGQSA-N	423.441	5.113	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	682766188	OKKSHCXDTGAWIH-GFCCVEGCSA-N	407.417	5.300	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	683151184	RXNYLCUHXFFMRV-OPRDCNLKSA-N	416.328	5.316	30	20	HKED	
N#Cc1ccccc1NC(=S)N(Cc1ccccc1OC(F)(F)F)C1CCCC1	729159043	WVXBZIJAURJKEP-UHFFFAOYSA-N	419.472	5.598	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2ccc(OCC#N)cc2)cc1	729685565	YLLYCOLVOAYWOB-UHFFFAOYSA-N	422.532	5.099	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@H](c3ccccc3)C2)cc1	729877836	QGGYOGUITFMBAK-RPBOFIJWSA-N	411.505	5.338	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)Nc2cccc(OCC#N)c2)c2ccccc2)c1	730477002	AVIQXXHVMIDTMQ-XMMPIXPASA-N	400.478	5.471	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccccc1	731645757	RUMGMAFRYQFAPF-OAQYLSRUSA-N	412.320	5.455	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(F)cc1Cl	733080551	PVYREHKLORKAPV-UHFFFAOYSA-N	409.774	5.186	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)c1ccncc1	734660335	PIKFJDFPTBGDHT-UXHICEINSA-N	414.347	5.302	30	20	HKED	
COc1cc(/C=C/C(=O)c2cnccn2)ccc1OCc1ccc(Cl)cc1Cl	734751795	YYZVCENFAKIPAV-QHHAFSJGSA-N	415.276	5.267	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1noc(-c2ccc(Cl)cc2)n1	735317788	FPXDHOPUVBZPQJ-UHFFFAOYSA-N	406.294	5.379	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Cc2ccc(OCC#N)cc2)cc1	741647276	YDKVTGLVORHVGG-IBGZPJMESA-N	414.505	5.027	30	20	HKED	
N#CCOc1cccc(/C=C(\Cl)c2ncc(-c3ccccc3Br)o2)c1	741843887	RIFIZWWLFLCJJX-BOPFTXTBSA-N	415.674	5.743	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Br)c2C)cc1	744033663	UKQSFRROVXDTSO-ACJLOTCBSA-N	413.315	5.232	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CC1=O	747198535	YWJRVTWWDKRXJX-JZXOWHBKSA-N	409.555	5.009	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCSC3(CCCCC3)C2)cc1	750991520	VSKGETRLBNJIME-JOCHJYFZSA-N	405.567	5.626	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1	752183168	CKYPMICUJKBSNI-XZOQPEGZSA-N	401.897	5.974	30	20	HKED	
C[C@@H](Cc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	754527756	FXQKWAYCFNLFGJ-KSSFIOAISA-N	405.910	5.390	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21	758243625	SUDZRCBOJYMJDC-VQIMIIECSA-N	407.539	5.506	30	20	HKED	
Cc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccco2)cc1	765357773	ASXJOVWNPRILOR-UHFFFAOYSA-N	402.479	5.030	30	20	HKED	
O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771095430	ASOCSSYGWVFHIE-GXMNPTEKSA-N	420.893	5.032	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)nc1)c1nc(-c2c(F)cccc2F)cs1	772654413	ZEMTXLPNFVVJDU-RNZFLTOJSA-N	401.825	5.026	30	20	HKED	
C[C@H](Nc1ccccc1O[C@H](C)C#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	779713176	QMDQMXGSOVMYGP-NEPJUHHUSA-N	411.811	5.089	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)OC(=O)CC(C)(C)C#N)cc3)sc2c1	785077675	HREINGWYINTZRM-HNNXBMFYSA-N	421.522	5.082	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1O	786958562	ICEYNPWKZMFMPC-CYBMUJFWSA-N	418.324	5.455	30	20	HKED	
C#CCC1(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CCCCC1	788213393	XWXZIHXVJOIVCA-UHFFFAOYSA-N	410.539	5.153	30	20	HKED	
C#CC[C@@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	788817524	DLYLGJAKDJZLQP-GGAORHGYSA-N	416.500	5.217	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccncc2)nc2ccccc12	789720022	TWQLVZLMHYYBHZ-UHFFFAOYSA-N	407.517	6.401	30	20	HKED	
N#CC1(CNC(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)CC1	797779373	CCWDEXPUXBALNE-PXLXIMEGSA-N	414.530	5.288	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(Cl)cc1F	806247734	OEEHTHXEZCHNKH-LJQANCHMSA-N	415.877	5.011	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cccc(C#N)c1	806971522	ONPHKJXHYQRYNJ-UTKZUKDTSA-N	421.541	5.028	30	20	HKED	
C=CCC[C@H](NC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O)c1ccc(C(F)(F)F)cc1	809733113	WLFJIXMLQNIOOV-HSALFYBXSA-N	417.427	5.133	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915085099	GCWJMPLGVDEURT-FQEVSTJZSA-N	413.502	5.548	30	20	HKED	
CCOc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	916056906	KQBCPNRUHAMFNN-JOCHJYFZSA-N	404.897	5.575	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cc(Br)c1O	916154418	JIQXDNBOZANVBJ-YHYXMXQVSA-N	416.315	5.050	30	20	HKED	
Cc1cc(CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1	916844414	HMSJWYYOQOSTNC-IBGZPJMESA-N	402.885	5.043	30	20	HKED	
C[C@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)csc2C1	916927871	PTDIOIULKSUULD-GWCFXTLKSA-N	407.322	5.141	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2)cs1	916976436	OGKNINNVLPEHHX-VSKVDJIOSA-N	405.331	6.068	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cnc2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1	916977446	QWUHHNLRERPHNS-DOOKAGJSSA-N	416.893	5.296	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cc(-c3ccccc3)cs2)cc1	917542611	IGVGMNLJCCFZPY-UHFFFAOYSA-N	410.955	5.835	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2cccc(OC3CCCC3)c2)cc1	917542848	VGQAGYCBAUEYJZ-UHFFFAOYSA-N	412.946	5.427	30	20	HKED	
Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)C[C@H](C)C#N)c2=S)cc1	921031156	YSDAATBVCHBNPC-MRXNPFEDSA-N	411.962	5.081	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1	1789622607	UDHZJTCWQKPGJQ-UHFFFAOYSA-N	404.501	5.158	30	20	HKED	
CC(C)CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1	1792126253	COIWEMRWZHIERL-LJQANCHMSA-N	417.553	5.498	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cs2)n[nH]1	1815380268	YLRJBTRKCSEJGD-KRWDZBQOSA-N	414.575	5.078	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1	1824351685	FPCDMGRIYOWQBU-QFIPXVFZSA-N	402.623	5.179	30	20	HKED	
Cc1ccc(-c2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)o2)cc1C	18961009	JXXLRNQXOQHZJX-UHFFFAOYSA-N	401.495	5.012	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C)c2)cc1	22729044	APBXSHFQPOAWNI-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
COc1ccc(CN[C@@H](c2ccc(F)cc2)c2cccs2)cc1OCCCC#N	64613711	NAUNFHQCJXLRRL-QHCPKHFHSA-N	410.514	5.458	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCCSc1ccc(F)cc1	78714862	RIOVBGKFGTVKER-OAHLLOKOSA-N	403.548	5.381	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1OC	137680233	DIVKOSYIVRLDIW-XSSIKURBSA-N	420.534	5.247	30	20	HKED	
C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1cc(Cl)ccc1Cl	197880512	RDDPQHCVLBSULZ-LLVKDONJSA-N	406.338	5.258	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1CCc1ccccc1	303367559	IYYMCPWIUPUAJB-FPOVZHCZSA-N	407.583	5.117	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1cc(Cl)ccc1Cl	426115889	BYHLATNZSPSRPI-KBPBESRZSA-N	422.381	5.677	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCc2sc(Cl)cc21	433148257	QRFSPZQLGLHDMK-OCCSQVGLSA-N	405.976	5.995	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)N(CCC(F)(F)F)Cc1ccccc1	433642849	CFRLBSWGRHEOOW-MRXNPFEDSA-N	422.344	5.435	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2c[nH]nc2-c2cccc(Cl)c2)cc1	437257357	QRTRMUGJNIMNQG-UHFFFAOYSA-N	406.917	5.156	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	437389041	HXCYHLDGUDTETQ-CYBMUJFWSA-N	406.816	5.972	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1	437401704	BKPAFWNZFAGANF-MGPUTAFESA-N	415.459	6.122	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	438209162	SBGBKHZMAPJFMV-DOTOQJQBSA-N	414.387	5.150	30	20	HKED	
FC1(F)CC[C@H](c2noc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1	439567694	GEQHVNKTBYQCBH-QMMMGPOBSA-N	416.268	5.589	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cnc(-c2ncccn2)s1)c1ccc(C(F)(F)F)cc1	441589437	LFJGFMPWZXTFDH-OAHLLOKOSA-N	418.444	5.056	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1	442678703	KUTSKPAQFMKZMU-AWEZNQCLSA-N	402.325	5.277	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1ccc(Br)cc1	463305031	GNADQZKUOZUFNY-HXUWFJFHSA-N	424.273	5.008	30	20	HKED	
O=C(Nc1cc(F)c(F)cc1Br)c1c(F)cc(C(F)(F)F)cc1F	464187067	MLEMSWCXDGRBFX-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	464738898	PIYUQJLAXWJGJV-FVJLSDCUSA-N	411.546	5.099	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2F)o1	466577860	LMLYJBWKMUNNNX-UHFFFAOYSA-N	405.212	5.428	30	20	HKED	
C=CCCO[C@H](C)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466919011	XCBJFOYQHXNVCS-TZMCWYRMSA-N	423.376	5.039	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1	468481180	ONSQJZPLPDQUNU-MRXNPFEDSA-N	417.440	5.041	30	20	HKED	
C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1cccc(CSc2ccccn2)c1	468651842	NFVROVBWQDGDHD-MRXNPFEDSA-N	405.548	5.365	30	20	HKED	
COc1ccccc1[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCCC1	469014648	LXSMGANJGSMHDA-SANMLTNESA-N	417.553	5.622	30	20	HKED	
COc1ccc(-c2nnc(S[C@H](C)CCC#N)n2C2CCCCC2)cc1OC	470439781	YPTSUALMWOQOSW-OAHLLOKOSA-N	400.548	5.252	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1	472277125	OYLFSBFLFPXQFP-XMMPIXPASA-N	419.912	5.062	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1c[nH]c2cc(Br)ccc12	476088807	HGEFWDZBDJYPNU-UHFFFAOYSA-N	411.343	5.964	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc(F)c(F)c1	476748330	RZVUMQYCXJVMHT-SGTLLEGYSA-N	420.410	5.387	30	20	HKED	
CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@H](C)c1ccc(C#N)cc1	476879333	FBJLXJCGZPDCLO-DNVCBOLYSA-N	414.347	5.044	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(C)[C@H](C)c1nc2ccccc2s1)c1ccc(F)c(F)c1	477724998	IGCHSOUTUHCGIT-BFUOFWGJSA-N	401.482	5.594	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(Cl)c1)c1ccc(C(F)(F)F)cn1	477871413	DCCVTACGCKXQAF-JTQLQIEISA-N	403.585	5.006	30	20	HKED	
CC(C)CCn1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1	480314231	MCBVCFDWEIIXKN-UHFFFAOYSA-N	417.513	5.218	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(C)cc1	481347008	UYAUVWATQGROCK-SFHVURJKSA-N	420.582	5.682	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1nc(-c2ccccc2)oc1C	481406432	WQLGXIFTKYWHML-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccccc3C)nc2C)cc1	481885207	RKDLMEIDILGBDJ-UHFFFAOYSA-N	405.523	5.386	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1Cl	482578453	KQYOVZPCZRYFQI-HNNXBMFYSA-N	417.900	5.026	30	20	HKED	
Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)sc21	483200532	OPCHRGDNLKPWQI-FQEVSTJZSA-N	422.513	5.742	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1-c1ncco1	483366916	KWNGZEHHLCSMQD-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)cc1Cl	483437814	JBUMBAYGIKTIFO-AWEZNQCLSA-N	411.914	5.036	30	20	HKED	
CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	483481096	HHFPQDOFSLPLRE-RBBKRZOGSA-N	423.582	5.517	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1Br	485234188	JHEUFDILFQISJF-RHSMWYFYSA-N	418.722	5.406	30	20	HKED	
N#Cc1c(F)cccc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1	488248707	LACRSNHBTZCMFG-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H](c1ccccc1)c1ncc[nH]1	492517139	WKEGZEQAGLRPIY-DEOSSOPVSA-N	422.488	5.130	30	20	HKED	
CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494237716	MNYOHERTYHSXCB-NTKDMRAZSA-N	405.542	5.764	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1cccnc1	496431123	WUZKJYPUAFIMDS-UHFFFAOYSA-N	401.495	5.006	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)c(Br)cc1F	497442428	MYTOBSSYCALUID-UHFFFAOYSA-N	423.330	5.284	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cs2)cc1	499860416	JEIBEZSHLLBXHK-QGZVFWFLSA-N	416.333	5.349	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)c1	500195948	ZBTWBFLVMALZHB-UHFFFAOYSA-N	416.531	5.469	30	20	HKED	
C=CCn1c(SCCCSc2ccccc2Cl)nnc1-c1ccncc1	504496890	PYOLVNLTJJTJIX-UHFFFAOYSA-N	402.976	5.454	30	20	HKED	
Cc1nc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccccc1	505328011	BCOPHALHMNLCQK-SFHVURJKSA-N	420.394	5.238	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c(C)nc2c1	508387800	JTEDIVDQQIMFLN-UHFFFAOYSA-N	424.460	5.172	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	509922228	AVXFQLJDXGOZKS-TZIWHRDSSA-N	415.459	5.301	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1nc(-c2ccco2)cs1	510181645	QHUISURSQDLNOL-UHFFFAOYSA-N	418.503	5.068	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1	511140170	OFSWYXRIVKVXPJ-UHFFFAOYSA-N	422.497	5.648	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Oc2ccccc2)nc1	514451498	KDZIAPFEGWDULO-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	515773812	DFSGQHWMHQBIAI-UHFFFAOYSA-N	401.441	5.854	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(C)o4)n3)n2)cc1	516270224	QASUHDXVFVEHKU-OAHLLOKOSA-N	421.503	5.334	30	20	HKED	
C[C@@H](NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccc(C#N)cc1	517345420	IRSXOLGZEBWHBC-QRQCRPRQSA-N	408.473	5.547	30	20	HKED	
Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1	518683382	TXNLREYJVKVUIV-SFHVURJKSA-N	423.582	5.631	30	20	HKED	
CCCOc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1OCCC	518848865	GFQNVBDOMHUNKN-GOSISDBHSA-N	420.431	5.278	30	20	HKED	
Cc1[nH]c2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2c1C	519130064	BURZLLYQJQCERG-RUZDIDTESA-N	409.489	5.358	30	20	HKED	
Cc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2c1	519434023	KEDDUYZWBAEXMK-UHFFFAOYSA-N	404.413	6.018	30	20	HKED	
CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCc2ccccc21	520174302	CMFJJLZNALCMCM-QFIPXVFZSA-N	416.550	5.537	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1Cl	520786900	NEHQHEBSMAFJRY-RBBKRZOGSA-N	422.960	5.088	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CC#N)c2ccccc2)cc1	521113289	VVIBIIMQGZDOTQ-UHFFFAOYSA-N	409.489	5.333	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3ncon3)cc2)c1	522640043	QNPQUMRZSYZYCN-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
C=C(C)CN(CC)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1	522767111	KAAJWJTYPRTXDQ-UHFFFAOYSA-N	421.856	5.287	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C	523528008	CZLOLVXHSGQNRM-UXHICEINSA-N	424.426	5.122	30	20	HKED	
CCC(CC)c1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)on1	525558942	QAZOEKQELZSITL-UHFFFAOYSA-N	405.473	5.432	30	20	HKED	
C=C[C@@H](CC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1	533899682	DLPCCLYSPCOHCW-IBGZPJMESA-N	416.487	5.146	30	20	HKED	
N#CCc1ccc(-c2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)cc1	534452095	MCJAUTBSYXZMIH-UHFFFAOYSA-N	421.485	5.655	30	20	HKED	
O[C@@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1	538174739	FSQVIRXFNFKVQS-IAGOWNOFSA-N	409.345	5.031	30	20	HKED	
C=CCC[C@H](NCCC(=O)Nc1cc(N)ccc1F)c1ccc(C(F)(F)F)cc1	538229019	COTSYAGJKAXBPD-SFHVURJKSA-N	409.427	5.052	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Cc4cccnc4)CC3)cc2)cc1	538945756	HNNLORPYBFBSAF-UHFFFAOYSA-N	412.493	5.232	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H]2C2CCOCC2)c1	539701213	MEJLXHWMUOIYBL-OAQYLSRUSA-N	410.901	5.035	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541155980	HEUVDEAYMHEIOB-OALUTQOASA-N	413.521	5.697	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(CCCO)CC3)cc2Cl)cc1	542015989	ZCQQGQDDLSIAJK-UHFFFAOYSA-N	413.905	5.020	30	20	HKED	
CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	544614796	SOVLFNJOZXGHSF-PKOBYXMFSA-N	421.394	5.100	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCOCC4(CCC4)C3)cc2Cl)cc1	546837753	LEKIRXMVZBPKNB-UHFFFAOYSA-N	411.889	5.038	30	20	HKED	
Cn1ncc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c1C(F)F	546995774	NSGSTAVKIYORQX-UHFFFAOYSA-N	412.240	5.112	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(F)ccc2Oc2ccccc2)CC1	548795569	RIBSHTCUMNLSII-UHFFFAOYSA-N	416.456	5.102	30	20	HKED	
Cc1cc2c(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)ncnc2s1	551318644	BZMHVTDPRLTFLI-GFCCVEGCSA-N	414.581	5.125	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1csc(-c2cccc3ccccc23)n1	553101788	ZMSLIYQUYDLFNA-UHFFFAOYSA-N	418.518	5.267	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(OCCCO)cc2)cc1Cl	553352170	YKLYWUOSCNMULX-UHFFFAOYSA-N	422.868	5.017	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(F)c(Br)c(Cl)c2)n1	560554497	GHCIFVRKBPUJDC-VIFPVBQESA-N	401.688	5.312	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccccc2)c1	569406155	HIZAMCXBSFKDTB-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)COc3ccsc3Cl)cc2F)c1	570349786	WKPUQRPNSJPPKU-UHFFFAOYSA-N	416.861	5.009	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCSc2ccccn2)cc1	570365350	JBQLFVKBFUBUEH-UHFFFAOYSA-N	419.575	5.158	30	20	HKED	
CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	577028313	CUINFDNMQXYLLU-HSZRJFAPSA-N	400.482	5.751	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(-c4ccncc4)cc3)cc2)ccn1	578054040	GPTOISKUUFDEMF-UHFFFAOYSA-N	421.460	5.129	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCc2cc(C#N)ccc21	586779007	YSLBAFKWBPXALB-SGTLLEGYSA-N	421.850	5.225	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)N[C@H](CCCC#N)c3ccccc3)cs2)cc1	590477685	IWGYICYMQAJSDO-HSZRJFAPSA-N	417.578	6.027	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cc4cc(Br)ccc4o3)n2)cc1	603615380	SUBSJFYLAKVZBU-UHFFFAOYSA-N	424.279	5.443	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc2ccccc2n1	603835705	JWKDYPPGAMZCPO-HXUWFJFHSA-N	409.401	5.425	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3Br)o2)nnc1C1CC1	607757573	GCFGGDFTDHWWFX-UHFFFAOYSA-N	417.332	5.051	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3noc4ccccc34)cc2Cl)c1	609062666	FBZKRKFBMOXDHZ-UHFFFAOYSA-N	417.852	5.113	30	20	HKED	
COc1ccc(OC)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	609062918	KIXFAIOCPCSQOB-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609177309	ONIYFPJFMYFZKG-QMHKHESXSA-N	411.461	5.197	30	20	HKED	
C[C@@H](NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccc(C#N)cc1	609261184	XZFLSKULGPSGKL-IVZQSRNASA-N	408.473	5.547	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1	609451523	ZINPWBLETDHWSJ-SFHVURJKSA-N	415.493	5.376	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC1	609508871	IDGCKEPGIHMTMM-UHFFFAOYSA-N	414.505	5.257	30	20	HKED	
Cc1cccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C	609668079	FXDOBLFJGDNGMK-LJQANCHMSA-N	400.547	5.958	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F	609694995	RDMCRQMIQORHDG-UXHICEINSA-N	420.434	5.621	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609725317	YIXQEMNLMPROPE-UHFFFAOYSA-N	417.852	5.527	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(CC1CCC1)[C@H](C)c1ccccc1	610122501	LDSSKRAKDYABKG-LJQANCHMSA-N	406.526	5.116	30	20	HKED	
CC1CCN([C@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)c2ccccc2)CC1	611093731	SUIQXVRDTDHQPD-HXUWFJFHSA-N	416.352	5.068	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCCCO[C@@H]2CCCc3ccccc32)c(Cl)c1	611094819	YOWWOXIJYBFBCS-LJQANCHMSA-N	403.309	5.079	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4ccccc4)n3)n2)cc1	613318736	ALRVHTQIWDINPZ-GOSISDBHSA-N	415.543	5.656	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2c2nc(-c3cc(F)ccc3C(F)(F)F)no2)cc1	615131213	HQJHOZVRDKTGMX-KRWDZBQOSA-N	402.351	5.108	30	20	HKED	
C=CCc1cc(CNC(=O)N(CCC)[C@@H]2CCc3ccccc32)cc(OC)c1OC	622949811	GXBQYBUKGDVJQS-JOCHJYFZSA-N	408.542	5.041	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1	623062984	KIGYVTXHKRAECQ-UHFFFAOYSA-N	407.329	5.926	30	20	HKED	
O=C(NCc1coc(-c2cccs2)n1)Nc1cccc(C#Cc2cccs2)c1	642480327	MFULYWZDAMYZKK-UHFFFAOYSA-N	405.504	5.186	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@]3(C)CCCc4ccccc43)n2)cc1	726325885	VXCIUXPLVLLVER-NTKDMRAZSA-N	402.519	5.289	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OCc3cccc(C)c3)cc2)ccc1OCC#N	727655620	ZAUXCWILJXWOKF-SDQBBNPISA-N	413.473	5.381	30	20	HKED	
CC(C)C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1cccc(C(F)(F)F)c1	727844629	CSARHENUFBAFBF-FQEVSTJZSA-N	419.447	5.194	30	20	HKED	
C#Cc1ccc(C(=O)O[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cn1	728937764	QUNKGJLPAXZQOL-MRXNPFEDSA-N	415.880	5.032	30	20	HKED	
CC(C)Cc1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731962085	HLSHFWZVPGPUOF-RUZDIDTESA-N	418.562	5.297	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Cl)ccc1Br)c1ccc(Cl)c(Cl)c1	733154202	GZGWEFPZTWRNDK-AWEZNQCLSA-N	418.505	5.404	30	20	HKED	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	733680652	ATOVYLYDBHGPKO-SKDRFNHKSA-N	409.269	5.386	30	20	HKED	
N#C[C@@H](COC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)Cc1ccc(F)cc1	734081415	LUNVPUIQYATYIA-INIZCTEOSA-N	410.832	5.206	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Cl)cs1)C(=O)Nc1ccccc1Oc1ccccc1	737316363	JLOMZFHNAKSOLL-SFHVURJKSA-N	424.909	5.474	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)ccc2c1	739668430	DMUDXVAGJIKBTC-NTUHNPAUSA-N	422.488	5.175	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1	742537940	ROUUYBLLIPWHIX-QZMUEMGWSA-N	401.535	5.748	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1	743152194	NHVPQUPITFFWBZ-SFHVURJKSA-N	423.582	6.011	30	20	HKED	
CC(C)[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	744038709	ZVGRARFOVYJYKN-YJBOKZPZSA-N	402.441	5.931	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4ccc(Cl)cc4)s3)o2)cc1	744568128	ISXQYEQNRNBJBD-UHFFFAOYSA-N	421.865	5.347	30	20	HKED	
C=CCC[C@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1	749943597	LCSOWTOMUIGYRD-IBGZPJMESA-N	418.415	5.099	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cn1nc(NC2CCCCC2)sc1=S	751930140	CNPZUZMJJBVMBB-RTBURBONSA-N	413.616	5.148	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C(F)F	760737174	TVWZCLYXGAGQMY-IBGZPJMESA-N	423.467	5.776	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)CCCSc1ccc(Br)cc1	760797351	KVICPQQONMGWBW-UHFFFAOYSA-N	423.307	5.002	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(C#N)s2)cc1OC	762448721	YSDPVBNEZFFPKC-XQRVVYSFSA-N	406.301	5.076	30	20	HKED	
N#CCCN(C(=O)c1ccc(C2SCCS2)cc1)C12CC3CC(CC(C3)C1)C2	763181398	XJZVVTQHJZCZTA-UHFFFAOYSA-N	412.624	5.490	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)C1CCCCC1	767041972	INYRPVRKXCTLCD-MRXNPFEDSA-N	402.560	5.027	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)nc1-c1ccccc1	769468098	AFPUDOGKWNZLIB-CVDCTZTESA-N	415.537	6.093	30	20	HKED	
O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771095434	ASOCSSYGWVFHIE-VBROQKIQSA-N	420.893	5.032	30	20	HKED	
N#C[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1Cl	772666730	MYSCWZGPCZVGDD-LSDHHAIUSA-N	418.107	5.105	30	20	HKED	
COc1cc(F)c(C(=O)/C=C/c2nc3ccc(Br)cc3s2)cc1OC	773142920	IRFZUSMAWFOJMI-AATRIKPKSA-N	422.275	5.111	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F	781459867	BLIVHPYIEGNRPN-VLIAUNLRSA-N	413.399	5.556	30	20	HKED	
Sc1nnc(CSc2ccccc2)n1N=Cc1cccc(OC2CCCC2)c1	782239688	AUCFRXMWEXRXLO-UHFFFAOYSA-N	410.568	5.063	30	20	HKED	
C[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccccc1	785489079	SAECJJSYEGXHKV-AUSIDOKSSA-N	418.500	5.491	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)cccc2c1=O	786370240	UVLVAPCUGQYUTG-HSZRJFAPSA-N	420.468	5.057	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1	789890613	SJGNVIOQRSFHKM-UHFFFAOYSA-N	408.542	5.919	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)n1	790785639	NKLHUPBWNFQAKW-INIZCTEOSA-N	413.543	5.423	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3F)cc2)cc(OC)c1OC	796993691	VNPQZQWFXZRPMA-JLHYYAGUSA-N	422.452	5.327	30	20	HKED	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	797571830	QRQPDTKSAIOHQC-NSHDSACASA-N	420.560	5.043	30	20	HKED	
CCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H](c1cccnc1)c1csc2ccccc12	799336199	JWJALUXJBRKTKN-DEOSSOPVSA-N	411.530	5.728	30	20	HKED	
Cc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1C#N	799546616	DZNKMTBCIMYLMK-NSHDSACASA-N	402.237	5.142	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3ccccc3)oc2C)cc1	916949022	ZVAGAMXJSFSVGX-QRWLVFNGSA-N	401.466	5.125	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]3(F)Cl)CCC2)cc1	1785842084	JOZWRIFXWWJGPC-JTSKRJEESA-N	406.929	5.037	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1	1790894056	CSPGWVHFKULMAW-UHFFFAOYSA-N	414.505	5.374	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cs2)CC1	1824676189	QKQPBDBWJUQCMN-HXUWFJFHSA-N	416.631	5.282	30	20	HKED	
Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(C#N)c3)[C@@H]2c2cccs2)cc1	15644162	JXBWBXKGABCUAP-NFBKMPQASA-N	415.518	5.051	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(C)c(F)c1	22732111	ABFMPRKCHPGPMW-UHFFFAOYSA-O	407.534	5.343	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NC)cc1	22733559	ZALAHAQMBQQZKF-UHFFFAOYSA-O	410.390	5.343	30	20	HKED	
CCCc1cc(/C(O)=N/c2nnc(SCc3ccc(C#N)cc3)s2)sc1C	23650562	YCGJHQNQEVUJPI-UHFFFAOYSA-N	414.581	5.661	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1	24706619	LMANQCWGLLYAIW-OAQYLSRUSA-N	411.534	5.173	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(SC(F)F)cc1	29005902	HZPKSVIRKFEZFS-UHFFFAOYSA-N	409.479	5.075	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(C(F)(F)F)cn1	41552121	BPMVVWBWBKMXQD-GOSISDBHSA-N	415.415	5.109	30	20	HKED	
COc1ccc(CCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	57208854	XMNFOSRTIHKITE-UHFFFAOYSA-N	415.493	5.414	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1	64142874	CPDIPZONUPTYMH-UHFFFAOYSA-N	404.297	5.240	30	20	HKED	
N#Cc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc2c1CCC2	84335378	BXCOLSOLRJGDMS-UHFFFAOYSA-N	404.335	5.398	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)s1	109080040	QAMMLLMLSOEALC-UHFFFAOYSA-N	415.522	5.197	30	20	HKED	
CC(=O)Nc1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)ccc1Cl	236591151	JDLQTSUCTWXTLC-UHFFFAOYSA-N	405.885	5.361	30	20	HKED	
COc1ccc([C@H](NCc2cccc(OCCCC#N)c2)c2ccc(F)cc2)cc1	237363810	KFGAQRYCNWPPJV-RUZDIDTESA-N	404.485	5.396	30	20	HKED	
C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc(Cl)cc1Cl	302929822	DUGDOCKLJRXAPN-LLVKDONJSA-N	406.338	5.258	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc21	303258420	DSEVZGOKDWHIMA-MRXNPFEDSA-N	421.566	5.409	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCC=C(C)C)cc1	303948916	YPBPIHNFTJOHHM-UHFFFAOYSA-N	420.578	5.811	30	20	HKED	
C=CCN(C(=O)CC(c1ccccc1)c1ccccc1)c1nc(C(=O)OCC)cs1	409832143	OGVNRCQNGWKRDG-UHFFFAOYSA-N	420.534	5.061	30	20	HKED	
Cc1nc(C(F)(F)F)c(CNc2ccc(F)cc2OCCC(F)(F)F)s1	409897008	KOWSNDNHUGIISA-UHFFFAOYSA-N	402.335	5.553	30	20	HKED	
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	426179404	SOYBXDPSBWZIEI-QGZVFWFLSA-N	401.466	5.484	30	20	HKED	
COc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1NC(=O)C1CCCCC1	430616250	AEYXTNKLEDDKRS-UHFFFAOYSA-N	423.538	5.082	30	20	HKED	
N#CCC1(CN[C@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)CC1	430741602	MOJVKFDONMLXFH-HNNXBMFYSA-N	402.361	5.233	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@](C)(CCc2ccccc2)C1	435133513	BOZJIPHSNGUOHC-YADARESESA-N	407.583	5.815	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1	438834576	AELMMUQBDLLXCM-DVECYGJZSA-N	413.521	5.767	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@H](c3ccccc3C)C2)cnn1-c1cccc(C#N)c1	439696065	RTCSEPPQPJPTRJ-FQEVSTJZSA-N	413.525	5.026	30	20	HKED	
C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccc(C(F)(F)F)cc1	441260702	NYRQKSBBTPIOTC-JLTOFOAXSA-N	412.415	5.210	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@@H]1CCN(CC)[C@H](C)C1)c1ccc(C(F)(F)F)cc1	442286265	SWZHJABPPYUJGC-AHRSYUTCSA-N	411.512	5.227	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)c1csc(-c2cccs2)n1	443413717	GMEFPDRBDKWKBL-UHFFFAOYSA-N	412.580	5.373	30	20	HKED	
C=CC[C@@H]1N(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCC1(C)C	443868267	NEYNXQJGWNKLFN-VGSWGCGISA-N	422.529	5.370	30	20	HKED	
C=CCn1c(SCc2cncn2Cc2ccccc2)nnc1-c1ccc(Cl)cc1	445609031	QPINCJLTIACVHN-UHFFFAOYSA-N	421.957	5.322	30	20	HKED	
CCNC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	464916318	ZWCUBPJKVYMGGH-UHFFFAOYSA-N	414.465	5.053	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)cc1	464939083	ATORNKOBVQDZAY-IRLDBZIGSA-N	417.534	5.121	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c12	464956911	YMUPPPBEKKEXNF-CTNGQTDRSA-N	414.509	5.136	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)co2)cc1	465197222	XFDUHILKRNTLIP-UHFFFAOYSA-N	409.445	5.244	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3ccccc3SC[C@H](C)C#N)CCCCCC2)no1	465260215	GEYXQAGHGNADCC-OAHLLOKOSA-N	413.547	5.001	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)c1ccc(C#N)cc1	465666557	VOROVCJXGXRAEH-CQSZACIVSA-N	419.447	5.315	30	20	HKED	
COCC[C@H]1CCCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1	466831237	LNGLMPSVPUCGFT-QGZVFWFLSA-N	412.917	5.283	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)NCc1cc(C#N)ccc1F	469416055	LMRGILQZASUQEP-OAHLLOKOSA-N	408.502	5.032	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C	471856611	LYZMBWQUCBDICF-INIZCTEOSA-N	414.962	5.736	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(COC(C)(C)C)on1	472514837	ICASUTDQVRVNCA-UHFFFAOYSA-N	421.472	5.156	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	474437174	GFFYGOWQZCMRNW-QGZVFWFLSA-N	421.909	6.074	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(C(C)(C)C#N)cc1	474953470	MTLGAQMOBAQLQU-UHFFFAOYSA-N	414.553	5.363	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1)C1CCCCC1	475106432	BGVWNBRAPJSWLX-UHFFFAOYSA-N	403.526	5.145	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	475556125	OGCNSCSGSZIZEZ-XXBNENTESA-N	411.615	5.805	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(C)cc1	481339444	MBKFIVSXYWRYRG-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	482812687	NCNCHQKHYKEBSD-JTSKRJEESA-N	418.924	6.136	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(CCc1ccccc1)Cc1cccnc1)c1ccc(F)c(F)c1	483294101	VUITVQHRGIWZCT-XMMPIXPASA-N	421.491	5.432	30	20	HKED	
CC(=O)c1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c(C)nc1C	485760767	AVNUFVQEQQEUGU-UHFFFAOYSA-N	415.468	5.067	30	20	HKED	
C[C@@H](SCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(Br)c1	487897228	MMJPIMMKISUYGO-GFCCVEGCSA-N	400.301	5.365	30	20	HKED	
C=CCC[C@H](C(=O)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1)c1ccccc1	488631710	PSXVQWWVFJUIJG-CVDCTZTESA-N	407.558	5.488	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccccn1	488908630	ASLWGWFNBPPGGV-NRFANRHFSA-N	402.498	5.547	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)cc2)cc1	488975530	KDYBQIFNURWDLE-OAQYLSRUSA-N	404.510	5.157	30	20	HKED	
C=CCC[C@H](C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1ccccc1	489469238	ZMIRBXPECPWHAV-LSQMVHIFSA-N	416.565	5.031	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)c2)cc1	489815411	JBFOBFKYKSEPQL-GBXCKJPGSA-N	413.477	5.250	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCC[C@H](c1ccccc1)C(F)(F)F	490984926	ALCZQIKMXHGHLR-JOCHJYFZSA-N	408.423	5.691	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)Nc3ccccc3SCCC#N)c2)c1C	499711116	FADXHDKQNHALIM-UHFFFAOYSA-N	404.539	5.310	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1	499955677	SSYPGDBAAYHYBQ-FQEVSTJZSA-N	405.816	5.138	30	20	HKED	
C=CCc1cc(CN[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc(OC)c1O	500923275	UNMHGVDJTZCJJD-INIZCTEOSA-N	408.567	5.720	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1	503065429	ZHFMTJIXQZTQMC-UHFFFAOYSA-N	411.383	5.582	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2cscn2)c1	504095896	MPQIFWJOTFEHAA-UHFFFAOYSA-N	420.538	5.284	30	20	HKED	
COCC[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccco1	505637367	VQEZGDUYWSEFTJ-GOSISDBHSA-N	410.857	5.105	30	20	HKED	
COc1ccc2cc(CN(C)Cc3cn(CCC#N)nc3-c3ccccc3)ccc2c1	506022670	WJZGXAMTVXUWOP-UHFFFAOYSA-N	410.521	5.258	30	20	HKED	
CC1(C#N)CCN(C(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CC1	509410380	IKRDJHNCDAYRBE-UHFFFAOYSA-N	407.564	5.233	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510004528	FWMKCLXDWRQOTN-IERDGZPVSA-N	421.903	6.359	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1coc2ccccc12	512901153	HKDJOLMZBOJWHE-UHFFFAOYSA-N	417.278	5.232	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	513113607	PUQXDTPCOSFXSV-UHFFFAOYSA-N	418.463	5.142	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C)cs1	513667111	RMLKOPLVXIHOFD-KRWDZBQOSA-N	418.547	5.121	30	20	HKED	
CN(c1ccccc1)c1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cn1	514560307	FFDWXZCTAIOHLY-UHFFFAOYSA-N	411.490	5.097	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3C(F)(F)F)c2C#N)C1	514607482	ASHJGXNZPWJVRL-LBPRGKRZSA-N	406.473	6.042	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc(-c2ccccc2)cs1	517956979	HOPRIRQWWOONQU-IBGZPJMESA-N	413.527	5.846	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)n1	518374293	FURYYKWKACTNTN-UHFFFAOYSA-N	424.460	5.464	30	20	HKED	
Cc1noc(Cl)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	519107116	RZLHVUSFUQIAAZ-SFHVURJKSA-N	414.292	5.517	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1csc(Br)c1	519451262	WOMZUJKEYRJOGP-LLVKDONJSA-N	410.362	5.084	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)CCSc2ccccc2Cl)CC1	522034400	JMCCDWQXRWPKHI-UHFFFAOYSA-N	414.958	5.200	30	20	HKED	
CS[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1	522704596	IGMWOHLKPREILP-FCHUYYIVSA-N	411.546	5.083	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1	523710620	QSWYHHVYIYCGMQ-RUZDIDTESA-N	412.489	5.123	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1	523944989	QPZBJJZQVUYGFW-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	525043722	IMXCCFXXQYKDRX-ROUUACIJSA-N	405.404	5.074	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)cs1	530990318	DKDASSPFLRBYQX-FYYLOGMGSA-N	416.550	5.100	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccccc2Cl)nc1	531069067	IXKFBUMVOIOMPE-UHFFFAOYSA-N	403.869	5.227	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1F)c1nc(-c2ccc(Br)cc2)cs1	532987277	MABZFCMOOMSXLG-GFCCVEGCSA-N	416.319	5.434	30	20	HKED	
C=CCC[C@@H](NCCC(=O)Nc1cc(N)ccc1F)c1ccc(C(F)(F)F)cc1	538229013	COTSYAGJKAXBPD-GOSISDBHSA-N	409.427	5.052	30	20	HKED	
Cc1ccc2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2n1	539291240	VNSDDQXNFHBRAE-UHFFFAOYSA-N	415.440	5.820	30	20	HKED	
C=CCC[C@H](NCc1csc(N(C(C)=O)C2CC2)n1)c1ccc(C(F)(F)F)cc1	540428157	OLZCGBURTWQXRD-IBGZPJMESA-N	423.504	5.474	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NCc2nnc(-c3ccc(C#N)cc3)o2)cc1	540461139	WWFGKZSTRCOSEF-KRWDZBQOSA-N	410.477	5.135	30	20	HKED	
N#Cc1ccc(SCc2nc(O)c3c4c(sc3n2)CCCC4)cc1C(F)(F)F	541077636	UXOUBWOYZQRGTL-UHFFFAOYSA-N	421.469	5.458	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3ccccc3OCc3ccncc3)s2)cc1	542762095	SGSAFYYAQQDIPZ-UHFFFAOYSA-N	412.518	5.192	30	20	HKED	
C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1	549219750	SLKZJUJSPOYYGY-GOSISDBHSA-N	424.593	5.012	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@@H]1C2(F)F	557301544	WVABZJODDWFWEM-AZUAARDMSA-N	402.828	5.121	30	20	HKED	
CC1=C(c2ccco2)CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1	557668388	WFSCSXWTUUIJKG-UHFFFAOYSA-N	423.944	5.117	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C(F)(F)F)c1	561409287	ZEHCPXPNGWLIJZ-ZDUSSCGKSA-N	423.460	5.430	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1	565264851	JUVQMXSWPSZTCW-NRFANRHFSA-N	414.530	5.607	30	20	HKED	
N#CCCC[C@H](N[C@@H]1CCc2c(Br)cc(Cl)cc21)c1ccccc1	572428648	GYFHYXPEHBYWQC-VQTJNVASSA-N	403.751	6.115	30	20	HKED	
Cc1sc(C2(N[C@H]3CCc4ccc(C#N)cc43)CCC2)nc1-c1ccccc1F	572862296	XYXGPDHYAOJXDC-NRFANRHFSA-N	403.526	5.786	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)ccn1	572892929	ZMNOIDNYWWCKGY-JOCHJYFZSA-N	402.429	5.254	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	584318047	QRWLJIHUWHJSQY-UYAOXDASSA-N	416.506	5.371	30	20	HKED	
CC(C)N(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(F)cc1Cl	588907648	TVXVQISGRHQTLU-UHFFFAOYSA-N	417.887	5.148	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)c1	589741508	JKXKBPPZNUQKMM-JOCHJYFZSA-N	404.514	5.380	30	20	HKED	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2ccccc2s1	594362943	KSZKDMCGIGLGBI-KRWDZBQOSA-N	416.506	5.007	30	20	HKED	
CC(C)(C)c1nc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1	608847099	KNWKKZGHICXTIO-UHFFFAOYSA-N	419.550	5.267	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nc(C)cs1	609207608	IFYCOKDBYSZGDF-HXUWFJFHSA-N	420.538	5.483	30	20	HKED	
Cc1cccc(OCCN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609209884	SBTXIDRUYWKXDW-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
Cc1c(NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)cccc1[N+](=O)[O-]	609222003	NHVIFMLRSCRPDD-INIZCTEOSA-N	416.437	5.006	30	20	HKED	
Cc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)c(-c2nc3ccccc3[nH]2)c1	609502078	MIAGAYVOZMUGEC-UHFFFAOYSA-N	424.504	5.598	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)n1	609646585	LDADRDAKQVEIGO-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609677919	MKGWCGNDGZKFTL-OXQOHEQNSA-N	402.523	5.015	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3cc(Cl)cs3)c2)cc1	609906973	CXRVXURIUPPLKZ-UHFFFAOYSA-N	410.926	5.618	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1coc(-c2ccccc2)n1	609967922	QKFZFGHGDHHNFN-UHFFFAOYSA-N	411.436	5.508	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1cccc(C#N)c1	610089436	VMDBYRJSCNDXSV-ZDUSSCGKSA-N	412.356	5.604	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(Cc2ccccc2)n1C1CCCCC1	610863369	YZHBBEOGIFGEJU-JOCHJYFZSA-N	402.567	5.601	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1ccnc(C#N)c1	610956177	RFDUKZATHAUYMR-UHFFFAOYSA-N	410.399	5.145	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1cccc(C)c1	617940705	LWOVANQUCFBROE-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c(Cl)c1	618253437	ITSJOFIHDZPZPV-UHFFFAOYSA-N	411.292	5.317	30	20	HKED	
COCCC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(Br)cc1	619755503	ZDRMOPLTTRBNHG-IBGZPJMESA-N	407.739	5.232	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccc1	677644787	AFFZEWWQFOFYSY-UHFFFAOYSA-N	408.914	5.732	30	20	HKED	
Cc1oc2ccccc2c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	681041921	DSGOJIORIGBXPL-ZDUSSCGKSA-N	400.381	5.860	30	20	HKED	
Fc1ccc2nc(CNC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)sc2c1	683200451	IGCSFHCIPBSOTC-RKDXNWHRSA-N	400.363	5.435	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl	726463351	YDYCCKVXOOATQK-AWEZNQCLSA-N	406.382	5.713	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	726913729	OUPYEXIHFMHJSJ-OAQYLSRUSA-N	413.502	5.548	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)OCc3ccccc3C#N)c2)cc1	727554745	AJMXNGOFXZPTOU-UHFFFAOYSA-N	413.473	5.016	30	20	HKED	
O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1OC(F)F	728157542	ZDXAKPLASDMEGY-VKDZAETISA-N	411.307	5.250	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl	731061060	ASOUQFYEJRDUMV-GFCCVEGCSA-N	423.321	5.183	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(OC2CCCC2)c1	731288062	OQLGXNVSUSIPTA-QFIPXVFZSA-N	404.510	5.094	30	20	HKED	
N#CCOc1ccc(COC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	733494381	ABFLFWSMJVNLRI-LOSJGSFVSA-N	413.473	5.015	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Cl)c2Cl)ccc1OC	733616026	ORXHAMJDDJSYCL-ZDUSSCGKSA-N	408.285	5.005	30	20	HKED	
CON=Cc1ccc(C(=O)N(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)cc1	741727103	HFACGIYDMSKWNA-UHFFFAOYSA-N	416.521	5.393	30	20	HKED	
COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1C#N	741853512	ZSBWRUWJUNDDNZ-YVLHZVERSA-N	419.893	5.681	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3SCCc4ccccc43)n2)cc1	744062128	QEBPPKRFZKTEDK-GHTZIAJQSA-N	406.532	5.026	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744063334	LVWVYVLFCPSNER-BBRMVZONSA-N	415.440	5.594	30	20	HKED	
C#CCN(C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1	745921008	GPUDSPMIWUTUSN-UHFFFAOYSA-N	421.488	5.306	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccnc3ccccc23)cc1	748729378	OFWKOVNOKHXMSM-UHFFFAOYSA-N	409.514	5.329	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccsc2)ccc1OCc1ccc(C(=O)OC)o1	749105062	QGCXMQZARVVXDC-QPJJXVBHSA-N	412.463	5.002	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(F)cc2C)cs1	750946617	XJBYEVKDKGTZIF-UHFFFAOYSA-N	402.882	5.375	30	20	HKED	
Cc1cc(CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)s1	753392431	BJCQKFVVOATQFR-KRWDZBQOSA-N	422.522	5.350	30	20	HKED	
N#CC1CCC(COC(=O)c2csc(-c3ccc(Br)s3)n2)CC1	755974812	QZMUSAAVYBFSJF-UHFFFAOYSA-N	411.346	5.121	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2cc(-c3ccccc3)ccc2OC)ccc1OC	756898686	VGTWYNAAVHCIDO-HSZRJFAPSA-N	416.521	5.342	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2/Cc3c(Cl)cc(Br)cc3C2=O)cc1	759089648	IBTLTWRJZXUBNA-PZHUPROXSA-N	402.675	5.216	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)c(Br)c1O	761011769	OWLYURZSQRWCBW-SOFGYWHQSA-N	410.267	5.121	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CC=C(c3ccccc3C(F)(F)F)CC2)c1=S	763235078	URTGEKKTRMOSCP-UHFFFAOYSA-N	420.504	5.243	30	20	HKED	
C=CCn1c(SC[C@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1C	764705361	VFRDECMHNSYIHS-SFHVURJKSA-N	419.472	5.284	30	20	HKED	
N#C[C@H](C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)c1nc2ccccc2o1	764755180	DJPRFYRMCHQYRX-JLTOFOAXSA-N	411.864	5.024	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	767155235	SQVXTUKMSVBFPV-UHFFFAOYSA-N	406.791	5.032	30	20	HKED	
COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	767585642	KGSUQCMYROIFLA-DHIUTWEWSA-N	415.493	5.450	30	20	HKED	
N#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccc(Cl)c(Cl)c1	768172884	AOGKBWQYIRLAAM-IBGZPJMESA-N	411.292	5.051	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)cc1Br	768781665	WZRCMOOPQLNNOE-GOSISDBHSA-N	421.294	5.180	30	20	HKED	
COc1cc(C(=O)/C=C/c2cccc(Br)n2)ccc1SC(F)F	777917044	UUSSBCJZJPTXGV-VOTSOKGWSA-N	400.244	5.064	30	20	HKED	
CC(=O)N1C/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C(=O)c2ccccc2C1	778519245	GZDPUGQKQLODKC-BUVRLJJBSA-N	411.501	5.202	30	20	HKED	
N#CC1(COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CCOCC1	780543178	FRTOVSYVVDXCEF-UHFFFAOYSA-N	412.898	5.094	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1cccc(C(F)(F)F)c1	780668623	CEZLEJBEFLQUOR-IFXJQAMLSA-N	405.420	5.515	30	20	HKED	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1cc(C(C)(C)C)sc1C#N	782355046	DASWVDDQAKHSSQ-UHFFFAOYSA-N	420.560	5.282	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1	785862542	ZPSMYYHHMGIMGD-AWEZNQCLSA-N	405.420	5.139	30	20	HKED	
C=CCOc1ccccc1CN(C(=O)CCc1ccc(O)nc1)c1ccc(C)c(C)c1	787345591	JNMWDIXXXVRCBL-UHFFFAOYSA-N	416.521	5.135	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C#N	790271827	NIYGLNCNLFZEQF-UHFFFAOYSA-N	406.555	5.041	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1	791769000	NWXHYLRGJFBQHI-HXUWFJFHSA-N	417.431	5.757	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2-c2ccc(Cl)cc2)cc1	791947599	VWPOXHTXOBGGRS-UHFFFAOYSA-N	411.288	5.744	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cc(C)c(Br)s2)cc1OCCCC#N	794732717	JIZDPRAGEPRERO-ALCCZGGFSA-N	420.328	5.406	30	20	HKED	
C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1NC(=O)c1ccccc1	796673241	QYLZDZXKIUSBQH-KNQAVFIVSA-N	412.489	5.631	30	20	HKED	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	801611338	FFKIBYQYVOSPOX-XMMPIXPASA-N	413.521	5.882	30	20	HKED	
C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)c1cccc(NC(=O)c2ccccc2)c1	803835708	ZFSZLGULINUMGS-OAHLLOKOSA-N	404.853	5.382	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2coc3ccc(C(C)C)cc23)ccc1OC	804378344	MNBSDJDZXAFVDV-SFHVURJKSA-N	406.482	5.176	30	20	HKED	
CC(=O)N(c1nc(/C=C2/C(=O)c3ccccc3[C@@H]2C)cs1)c1ccc(F)cc1F	809159312	NIMGOHGXUGZMNZ-NNLQFVHNSA-N	410.445	5.489	30	20	HKED	
N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(/C=C3\Cc4ccc(C#N)cc4C3=O)cc1)C2	811696514	UCLOZEXNRIEIGD-WDBPGAOMSA-N	412.448	5.075	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1	813215755	BNCNORANRDIFPT-NHYWBVRUSA-N	411.221	5.233	30	20	HKED	
N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1cc(C(F)(F)F)ccn1	813218185	MODRPZMYHCEUQL-JGWKKKPCSA-N	418.724	5.576	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(CC[C@H](O)c3ccccc3)cc2)c1	864036908	IEVPFJJQMMVJFS-QHCPKHFHSA-N	421.338	5.599	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2C)cc1	915086910	YFKSXYWTNOVEFK-DEOSSOPVSA-N	406.489	5.397	30	20	HKED	
O=S(=O)(Nc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1)c1ccccc1	915979188	FKIZRDFLXPHHQF-UHFFFAOYSA-N	421.305	5.250	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)cc1	916913723	RLELBQUEIZMFNS-HOYKHHGWSA-N	413.521	5.238	30	20	HKED	
Cc1ccc(CCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917044268	QHSPHIUWMGDKHK-INIZCTEOSA-N	402.441	5.823	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ccc(F)c(Br)c2)cc1OC	917397076	MRWLBDVTTMNKNY-UHFFFAOYSA-N	416.674	5.200	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	917803008	CTBFHSSTIDXNMZ-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc2cc(Cl)ccc2s1	920112482	BCWKFTPKLIUFIL-INIZCTEOSA-N	414.889	5.013	30	20	HKED	
CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	920112810	KJOFYVJXTMUCSG-MRXNPFEDSA-N	418.440	5.523	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1	1789371316	YALRSOXPKANGIH-HNNXBMFYSA-N	407.539	5.189	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@]3(F)Cl)CCC2)cc1	1789625711	QVPQJSAGLHCBBH-HTAPYJJXSA-N	406.929	5.037	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3oc(C)nc3C)cc2)CCC1	1789791010	DIGSCHLWZHKJOI-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1	1791220674	POORPNCRGQGKEW-MQJJQYGHSA-N	401.510	5.028	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832404528	NFWJGIKYXZZKRU-JQYIIUTOSA-N	412.618	5.121	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cc(C)cc(C)c2)cc1	10172504	RGQACEXGARERIZ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)c1	10174845	DVBREPUJNNSRRV-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2c(C)cccc2C)c1	11153464	CPLVXTUPUHVYLW-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
N#Cc1ccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)cc1	31732028	UTNIIQYHJKGMCQ-UHFFFAOYSA-N	424.323	5.260	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc2ccccc2n1C(F)F	51656011	XXNMENDIXWFVTJ-LBPRGKRZSA-N	412.783	5.230	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3cnco3)c2)cc1	64300277	TXIXUGKKWBTQCW-UHFFFAOYSA-N	411.486	5.758	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)sc2c1CCCC2	64379738	DIKISIDYPOPIHB-LSDHHAIUSA-N	401.329	5.003	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1Oc1ccc(C)cc1	107761812	IZZVUFOCMUIKQG-UHFFFAOYSA-N	416.477	5.465	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H](c2ccccc2)O1	303315858	GRYQNQCQYKEEAX-KOSHJBKYSA-N	413.477	5.344	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1	430773109	QGVUJVLPPJRBPU-SFHVURJKSA-N	401.329	5.042	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c[nH]c2cccc(Cl)c12	431942472	ZYEOMGNSBSILSG-UHFFFAOYSA-N	416.868	5.370	30	20	HKED	
C[C@@H](c1ccc(-c2cccc(C#N)c2)cc1)N1C(=O)CN([C@H](C)c2ccccc2)C1=O	432080323	NZDVGZDABQBQSJ-MOPGFXCFSA-N	409.489	5.312	30	20	HKED	
N#CCCC[C@H](NCc1cc(Br)ccc1OC(F)F)c1ccccc1	433011660	PLPVFZLYWPEIRC-KRWDZBQOSA-N	409.274	5.575	30	20	HKED	
CSc1cnn(-c2ccccc2)c1NC(=O)N[C@H](CCCC#N)c1ccccc1	433264695	BTXTYCWSRDSTGT-LJQANCHMSA-N	405.527	5.151	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	433797255	UVNMRAPASZWYME-UHFFFAOYSA-N	410.465	5.623	30	20	HKED	
Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1-c1ccccc1	435780412	CVAUKQGETUKXHU-UHFFFAOYSA-N	424.529	5.597	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1	436100183	JHTXMXKYKAJUMU-JOCHJYFZSA-N	411.892	5.537	30	20	HKED	
CC(=O)c1ccc(O)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	436682377	VCUHNIYYEKDOEB-UHFFFAOYSA-N	406.825	5.164	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1	438064297	JIFMBQTWWMABND-LSDHHAIUSA-N	413.547	5.252	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(Oc2ccccc2)c1	438494114	RYSAPOIGYXXIFV-UHFFFAOYSA-N	400.482	5.436	30	20	HKED	
FC(F)(F)C[C@H](NCc1nc(C(F)(F)F)cs1)c1ccc(C(F)(F)F)cc1	444744820	QXOQOBOVQBJKAC-JTQLQIEISA-N	422.316	5.964	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)CCCC1(C)C	445155006	CBBZQEKIVTYFFE-SFHVURJKSA-N	423.479	5.127	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	462792531	VUMCPUPYBMDTJZ-UHFFFAOYSA-N	411.465	5.188	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1	463685291	AVCDSSRAFFNJOK-UHFFFAOYSA-N	423.297	5.086	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N	463751263	FLIMCMQMQBFHJI-CQSZACIVSA-N	410.930	5.481	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)cc1	464423002	YBYCWVOUTYZADO-FQEVSTJZSA-N	421.378	5.449	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCc4c(O)cccc43)cc2Cl)cc1	466092297	KXQUNLUAANEPBJ-HXUWFJFHSA-N	419.868	5.519	30	20	HKED	
CC(C)(C)OC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	469097719	SHAQGCQOOZRUDQ-UHFFFAOYSA-N	408.567	5.270	30	20	HKED	
CCOC1CC(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	473609193	YSNVZBBLQQTSHN-UHFFFAOYSA-N	413.905	5.331	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccccc1	475533261	VJZNSJOZYPJJGX-KRWDZBQOSA-N	418.884	5.013	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(F)c(F)c1	479932126	PLTKUCIUEHDNTA-HXUWFJFHSA-N	411.408	5.249	30	20	HKED	
CCC(CC)N(CCOC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	480316735	CRKDJGVJEHBUTB-UHFFFAOYSA-N	409.530	5.115	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1nc2ccccc2o1	480548781	FULBHKDKOYVKIC-LPHOPBHVSA-N	420.538	5.839	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccc(F)c(F)c1	480559288	UESYWVWWFHHZCT-JOCHJYFZSA-N	409.436	5.378	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nnc(/C=C\c2ccco2)s1	480946429	CGBBGNIRVJKYFK-YVMONPNESA-N	406.920	5.237	30	20	HKED	
C[C@@H](Sc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccc(C#N)cc1	481369908	KIPGSGFURPTWRY-QGZVFWFLSA-N	416.506	5.223	30	20	HKED	
O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1c(F)c(F)cc(F)c1F	481744628	BMMDXKWRHGARCD-UHFFFAOYSA-N	401.665	5.090	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1	482628832	HEQNWHKFKNVRRR-HSZRJFAPSA-N	424.928	5.303	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1	482628835	HEQNWHKFKNVRRR-QHCPKHFHSA-N	424.928	5.303	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	482815811	XSDHTEXUHTZFEZ-OAQYLSRUSA-N	417.921	5.598	30	20	HKED	
CCCN(C(=O)c1ccc(C#N)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1	487216189	DGQZOLKRQMHCCR-UHFFFAOYSA-N	422.362	6.107	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nc2ccccc2o1	487928404	IOXFOCRVGOOATJ-GOSISDBHSA-N	415.430	5.377	30	20	HKED	
COc1ccccc1SCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	488162668	SNAZVTIUHCSFLE-UHFFFAOYSA-N	406.532	5.125	30	20	HKED	
COc1ccc(Oc2cc(CNc3c(C#N)cnc4c(F)cc(F)cc34)ccn2)cc1	488218669	MLDUWORFIDXTPD-UHFFFAOYSA-N	418.403	5.193	30	20	HKED	
CCn1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc21	490645572	DNSJWTKUCYBSAS-UHFFFAOYSA-N	409.489	5.559	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1	499419116	LFFAXCLXEKBHTK-DNVCBOLYSA-N	415.331	5.029	30	20	HKED	
Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)no1	501367270	YGLGMJZSHDNRBG-NRFANRHFSA-N	417.469	5.191	30	20	HKED	
C=CCN(C(=O)c1csc(Cc2cccc(F)c2)n1)c1nc2c(s1)CCCC2	502554473	ZUVKKLJFEKYCOS-UHFFFAOYSA-N	413.543	5.041	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@H]3C(F)F)cc2Cl)c1	503058737	HCBDEKVLZBRGFT-SFHVURJKSA-N	419.859	5.442	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H](C#N)c1ccccc1F	505923601	WJCSIYJFFQEQBE-DEOSSOPVSA-N	409.464	5.273	30	20	HKED	
CC1(C#N)CCN(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1	508008812	YNPSWYMKYIBJEG-IBGZPJMESA-N	420.944	5.288	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509718013	FGPYALWAUHMWJH-CYBMUJFWSA-N	410.289	5.381	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1C	514822356	VOWFSWUHFZWWJH-AWEZNQCLSA-N	404.322	5.508	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccc1	515539149	MXQLLDDNPMEUDX-INIZCTEOSA-N	420.925	5.749	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1	515651077	NQUAVOABNRQJJP-UHFFFAOYSA-N	400.522	5.487	30	20	HKED	
CCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1	517437614	HHLKUCWMNCUFGD-UHFFFAOYSA-N	420.503	5.136	30	20	HKED	
Cc1sc2nc([C@@H](C)Nc3ccc(Oc4cccc(C#N)c4)cc3)nc(O)c2c1C	517516631	VOKREISFUHXZOA-CQSZACIVSA-N	416.506	5.851	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccccc3OC(F)(F)F)c2)c1	518271695	GXKGCTHRBCDCJU-UHFFFAOYSA-N	412.411	5.326	30	20	HKED	
COc1cccc([C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	518420429	ZSUQKBFNAOVGCC-GOSISDBHSA-N	402.469	5.351	30	20	HKED	
CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)Cc1ccc(OC)cc1	518755898	QZXKMOQSCQNWKZ-ZWKOTPCHSA-N	411.571	5.574	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	519485182	IPOMBABTQHOTJD-MRXNPFEDSA-N	416.333	5.344	30	20	HKED	
C=CC1CCN(C(=O)C/C(=C/c2cccc(OC)c2)c2nc3ccccc3s2)CC1	520326589	AZBOSCKCEKBPHJ-HKWRFOASSA-N	418.562	5.660	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1sccc1Br	520355656	HTQICKVPRMEPFO-UHFFFAOYSA-N	406.374	5.171	30	20	HKED	
CC(C)[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1	522567104	HIGPQPFARHCTNN-HXUWFJFHSA-N	406.473	5.324	30	20	HKED	
C=CC[C@@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	522645917	QQPNJPKXUSJISJ-GFCCVEGCSA-N	410.417	5.459	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(COc3cc(C)ccc3C(C)C)cc2)CC1	524599764	VXMFJAVVQAERDW-UHFFFAOYSA-N	421.585	5.469	30	20	HKED	
N#CC1CCN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CC1	525062893	JITZQXYBOPTRGY-UHFFFAOYSA-N	405.350	5.661	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	525630795	JGLLESPERIXOCU-AWEZNQCLSA-N	412.486	5.248	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCOc2ccc(F)cc21	526092801	RGBVUQBYIAMHRO-LJQANCHMSA-N	404.466	5.102	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3csc([C@@H]4CCCO4)n3)c2C#N)C1	534463978	QAPHWBQITLPBQV-WBMJQRKESA-N	415.584	5.331	30	20	HKED	
COc1cccc([C@@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1	537030034	WZXKNCBSAJBLNZ-GOSISDBHSA-N	402.494	5.005	30	20	HKED	
CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	538335818	NCNPBYZZMKGWSP-WAIKUNEKSA-N	420.509	5.355	30	20	HKED	
CCN(CC)C(=O)c1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1	539919878	QANXRKBITJNHOH-UHFFFAOYSA-N	413.521	5.231	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541099501	WRJCYSTYSJPJJU-GOSISDBHSA-N	422.488	6.071	30	20	HKED	
C=CCN(C(=O)Cc1cnn(CC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	556392858	NRBZYQAFVIGZIA-UHFFFAOYSA-N	421.353	5.095	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	558357722	AUXJEGVYGXAVJI-KSFYIVLOSA-N	419.912	5.887	30	20	HKED	
Cc1ccccc1[C@@H](c1noc(CCC(=O)N(CCC#N)c2ccccc2)n1)C(C)C	566763852	BTDQFNQEDICMNQ-DEOSSOPVSA-N	416.525	5.045	30	20	HKED	
COc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C(F)(F)F)c1	575132768	MNZAJTQAELLOKF-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl	584190529	HDKQMDWUHMYIGB-GFCCVEGCSA-N	415.292	5.067	30	20	HKED	
N#CCc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	588987510	CISIXASKIGMKJS-UHFFFAOYSA-N	402.397	5.632	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F	601842036	ACTUQFYLGOFFET-UHFFFAOYSA-N	423.479	5.654	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1	608851215	VQSUJYNHJIVDHT-UHFFFAOYSA-N	405.461	5.140	30	20	HKED	
CCc1c(C)sc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1C#N	609032433	INFNZDFLPRHJRM-UHFFFAOYSA-N	414.918	5.155	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	609053240	OGCACAJXPSUXKD-UHFFFAOYSA-N	402.494	6.229	30	20	HKED	
Cc1cccc(C)c1OCCSCC(=O)Nc1ccccc1SC[C@@H](C)C#N	609387624	ZKRMOOTYTZOOHI-INIZCTEOSA-N	414.596	5.306	30	20	HKED	
CC(C)OCc1ccccc1CNCc1cccc(OCc2ccccc2C#N)c1	609432709	LFZGVITYNDNEBT-UHFFFAOYSA-N	400.522	5.352	30	20	HKED	
N#C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccccc1Br	609590158	DJCZBSJXZJKIOL-IBGZPJMESA-N	411.324	5.075	30	20	HKED	
CC[C@@](C)(NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C)cs1	610184781	MODXGZFJEMAIHO-HSZRJFAPSA-N	405.523	5.365	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610321420	UELSQMFUJVLMDF-AOMKIAJQSA-N	416.456	5.500	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)c(Br)c1	614385901	PZWNGMFFBBWOTA-UHFFFAOYSA-N	418.335	5.249	30	20	HKED	
Cc1sc(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)nc1-c1ccc(Cl)cc1	618802945	OJOUBAYWRHJVQP-LJQANCHMSA-N	422.941	5.130	30	20	HKED	
C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC(F)F)cc1OC(F)F	619755239	DKKOJHKILGZCAT-SNVBAGLBSA-N	402.775	5.265	30	20	HKED	
C=C(CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1	672481586	WZZAEMXUTDGOAR-QHCPKHFHSA-N	418.924	5.031	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(Cl)nc1	727083294	JHPNMEUOEUMSQN-UHFFFAOYSA-N	410.905	5.458	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccccc1SCC#N	729421186	YDDNMKYYDRXEDZ-ZDUSSCGKSA-N	411.527	5.364	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	729888529	HFKLRFLTLZOARV-XZYIRZQUSA-N	412.489	5.378	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1	729966109	UFCASWXEQNYHEE-UHFFFAOYSA-N	407.420	5.192	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2[nH]1	730071177	LUYHNFBFOBJMLN-IBGZPJMESA-N	415.880	5.214	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1nc2ccccc2o1	730399176	VZGJDCUAYYHOOL-ZHRRBRCNSA-N	420.440	5.816	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)Cc1ccc(OCC#N)cc1	731979903	DQBLFOFBIKXYOZ-UHFFFAOYSA-N	422.525	5.436	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Br)c1	733080934	GXCXVXUPUSNPKF-BQYQJAHWSA-N	415.268	5.377	30	20	HKED	
Cn1cc(/C=C/C(=O)c2ccc(SC(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1	734981708	SCJMRDIXTMVZRA-IZZDOVSWSA-N	415.421	5.206	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCc2cc(Cl)ccc2OCC#N)c1	735344256	HSMUCBZDPTZNES-INIZCTEOSA-N	401.890	5.185	30	20	HKED	
Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3c(Cl)nc4ccccn34)c2C)cc1	737446439	SGJIWXZNQFUGNF-VAWYXSNFSA-N	404.901	5.054	30	20	HKED	
Cc1ccc(-n2c(-c3ccccc3)nn(CN(CC#N)C3CCCC3)c2=S)cc1	738256607	MLAGDMXKEHFZIL-UHFFFAOYSA-N	403.555	5.104	30	20	HKED	
COC(=O)[C@@H](N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	739996356	CPGBYQYVGMQIAO-HJPURHCSSA-N	404.897	5.444	30	20	HKED	
COc1ccc(-c2nc(SCCSc3ccc(C)c(C)c3)nc(O)c2C#N)cc1	742452358	NRKDBISHWDFPNH-UHFFFAOYSA-N	423.563	5.231	30	20	HKED	
N#C[C@@H](C(=O)Cc1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	744035868	RNYGZROQHYYWIF-AWEZNQCLSA-N	423.271	5.814	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(-c4ccncc4)cc3)c(Cl)nc21	745990867	ZQJUIDWXGADUNA-BQYQJAHWSA-N	402.885	5.624	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnc2ccccc12	749025279	CCXHZFNFJQDMSJ-FQEVSTJZSA-N	421.456	5.297	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2ccccc2n1)c1nc(-c2c(F)cccc2F)cs1	752181047	MJVUWCPUQBFMPH-SIFUEBAJSA-N	417.440	5.526	30	20	HKED	
N#CCCn1cc(C=NNc2cc(C(F)(F)F)ccc2F)c(-c2ccccc2)n1	753948097	XWBBLBIYZFQELH-UHFFFAOYSA-N	401.367	5.068	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1nc2cc(Cl)ccc2s1	756239678	CGMQQXKVCKYNEK-LBPRGKRZSA-N	404.825	5.067	30	20	HKED	
C/C(=C/c1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	759205553	DEXGLRSCDGPZBK-QJWNTBNXSA-N	420.868	5.406	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	760194332	BUGMILRGJBIIMJ-IAQYHMDHSA-N	417.317	5.688	30	20	HKED	
N#Cc1ccc(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c(C(F)(F)F)c1	764914794	RFGWMYDMKFVLTG-UHFFFAOYSA-N	414.349	5.084	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN3Cc3ccc(F)cc3)n2)cc1	768781158	NCDOPXGNTDPXNK-IFMALSPDSA-N	419.525	5.099	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)ccc2c1	770845809	DJTLYNWQMBOGEA-DJJJIMSYSA-N	424.859	5.092	30	20	HKED	
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	772236764	ISUCSKKASOGTID-CPJSRVTESA-N	413.521	5.147	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](Cc2cccc(OC)c2)c2ccccc2)c1	772983446	IIMNNVKNKMFUKN-OZXSUGGESA-N	400.522	5.450	30	20	HKED	
C=CCC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2)n1)c1ccccc1	778559284	NBOUZGDROKPBNF-JOCHJYFZSA-N	420.534	5.621	30	20	HKED	
CO[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	780312904	MRENNTNEYCNNEM-DNVCBOLYSA-N	417.317	5.681	30	20	HKED	
CCC(CC)(CNC(=O)Nc1ccccc1O[C@@H](C)C#N)N[C@H](C)c1ccccc1	780673057	NFFDZXDIZYTHOT-RBUKOAKNSA-N	408.546	5.009	30	20	HKED	
Sc1nnc(CSc2ccccc2)n1N=Cc1ccccc1OC1CCCC1	782246286	WRUPTXMNRSAULR-UHFFFAOYSA-N	410.568	5.063	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2cc(C)sc2C)cc1	783355424	LYPKUUQLZSRVFK-XOBRGWDASA-N	410.539	5.189	30	20	HKED	
Cc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc2cccnc12	783801021	WDVRFXHDBIWEEJ-UHFFFAOYSA-N	410.502	5.172	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1c[nH]c2ccccc12	786311405	RIMWLAXYRHUUBN-YVEFUNNKSA-N	414.292	5.316	30	20	HKED	
CCCOc1ccc(C=NOCc2ccc(Cl)nc2C(F)(F)F)cc1OC	786733617	DUYDUQZXFQVCIC-UHFFFAOYSA-N	402.800	5.102	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1cnc2ccccc2n1	792108494	CSWSKRJKMCTAPQ-BBRMVZONSA-N	418.909	5.188	30	20	HKED	
COc1ccc(Cl)cc1NC(=S)Nc1ccccc1Oc1ncccc1C#N	792678084	VGNHBFOZEMRLKC-UHFFFAOYSA-N	410.886	5.216	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2C[C@H](C)CC[C@@H]2c2ccccc2)c1=S	795700330	JDDOULVYLZEBLX-WIYYLYMNSA-N	405.571	5.093	30	20	HKED	
CC(C)(CCC#N)COC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1	798877138	KCCWXXHOSDLJOP-UHFFFAOYSA-N	410.301	5.239	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cnn(C3CCCC3)c2)cc(Br)c1OC	799898608	WNPNBRYSMJXFIC-CMDGGOBGSA-N	419.319	5.064	30	20	HKED	
N#C[C@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	802044732	CMYWCHQQOUONQK-NVXWUHKLSA-N	404.388	5.716	30	20	HKED	
Cc1nc(C2(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCCCC2)no1	806200994	QXZJXTACLZDUTB-OAQYLSRUSA-N	415.497	5.015	30	20	HKED	
C[C@@H](N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)cc1F	810263375	NJSIELQAPPEYER-VGSWGCGISA-N	411.521	5.394	30	20	HKED	
CC(/C=C\C(=O)c1cc2c(s1)SCC(=O)N2)=C\c1ccccc1OC(F)F	811694949	YDFTUCGHCXTSRV-BQGCWICQSA-N	407.463	5.236	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H](C)c3ccc(F)c(Br)c3)[nH]c12	813070608	UWXQAPSZAGQZJM-JSGCOSHPSA-N	414.278	5.143	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3ncnc(Cl)c3C(C)C)s2)cc1	814922628	QFRWAHRPVGMNHI-UHFFFAOYSA-N	415.950	5.530	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1	915085940	GHLGINHFOSGGCB-JOCHJYFZSA-N	416.571	6.073	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(c3ccccc3)c3ccccc3)n2)cc1	916627252	IIYWAMFFAPFGPJ-JOCHJYFZSA-N	408.526	6.127	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccccc3)n2)cc1	916948600	IBOCPKOWCVUVGH-OXQOHEQNSA-N	417.534	5.209	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(OC)cc1	916951764	BRCOTYYEEVHKLL-JLVIMGNISA-N	416.477	5.145	30	20	HKED	
CC(C)c1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917042950	JMOKYKWWAARXKH-INIZCTEOSA-N	418.440	5.694	30	20	HKED	
C[C@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	919904373	JKFPPXZKCBDTAK-IERDGZPVSA-N	421.447	5.209	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1	920140714	JHXVLOLSRBJDEQ-OAHLLOKOSA-N	412.301	5.408	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc(Cl)cc2)cc1	920994204	OJPGLXJADFADHD-UHFFFAOYSA-N	409.917	5.750	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1	1790264713	KCNQQPSPXWGHBL-UHFFFAOYSA-N	414.958	5.007	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1	1824632828	XHFWJTZMLQJNRG-WOJBJXKFSA-N	424.576	5.056	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(C)cc1	10173315	QCJNLRHMZPJUST-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
CC(C)c1cc(C(=O)Nc2cccc(OCCCC#N)c2)c2cnn(C(C)C)c2n1	55569425	JXJOPFGEBGQGQX-UHFFFAOYSA-N	405.502	5.070	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1Br	58773399	BWLSBQMWVCHWJT-UHFFFAOYSA-N	400.345	5.110	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccc(-c2ccccc2F)o1	62887815	LLLARHDSWCUXQG-UHFFFAOYSA-N	408.429	5.141	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(\S)Nc2ccc3c(c2)CCC3)cc1	63440836	YCFXEBKUANPPFN-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1	97366627	MKQMZYMVUWUUEQ-UHFFFAOYSA-N	401.413	5.071	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	107648719	VXQFLFMUTAYEEZ-ZHRRBRCNSA-N	415.880	5.273	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2ccc(OCc3cccs3)c(OC)c2)cc1	237270242	XMRSPALJPMGZDL-UHFFFAOYSA-N	423.538	5.255	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1CN(C)C(C)C	410379594	DXLZFUWOCGVEOX-UHFFFAOYSA-N	405.995	5.140	30	20	HKED	
N#Cc1c(NC(=O)c2ccccc2COC2CCOCC2)sc2c1CCCCCC2	429002966	CLLLCKZRZTWEJP-UHFFFAOYSA-N	424.566	5.227	30	20	HKED	
CC(C)(c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1)C(F)(F)F	429680444	STRSCCCQNQBEGO-UHFFFAOYSA-N	401.432	5.595	30	20	HKED	
CC(C)(C)OC(=O)Cc1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433009924	WIXLTEMIONHSOS-FQEVSTJZSA-N	407.514	5.127	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	433292493	XJCZOBJIIFKKLX-UHFFFAOYSA-N	407.861	5.009	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	437495381	JHYFYCHDWUVJAC-VGOFRKELSA-N	424.591	5.179	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(F)c2)CCOCC1	438056173	QNVFAHRZPBKFPF-INIZCTEOSA-N	413.518	5.047	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)s1	438061444	AWRNLCGRSDZCRW-ZFWWWQNUSA-N	402.589	5.491	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@@H]1c1ccnn1C	439361338	SQSRQGNVBDLXMJ-HSZRJFAPSA-N	415.497	5.152	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2ccccn2)c1	439400334	ZGCUGJPICIUGEA-KRWDZBQOSA-N	402.523	5.465	30	20	HKED	
C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)c3cccc(C#N)c3)n2Cc2ccco2)C1	442906188	WSRVSERYWBCKHV-KZNAEPCWSA-N	421.570	5.127	30	20	HKED	
O=C(CNc1cccc(F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444435044	KTNIGQIUEJQZSP-HNNXBMFYSA-N	408.317	5.066	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2Cl)cc1	446002884	NVQKHJGNTPLYGY-UHFFFAOYSA-N	409.779	5.406	30	20	HKED	
C[C@H](CCc1cccn1C)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	460471603	VCICLCJMDIQUEV-MRXNPFEDSA-N	407.901	5.094	30	20	HKED	
COc1ccc([C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)cc1	462132890	SHPUMPVNIOWSNE-QMHKHESXSA-N	404.897	5.230	30	20	HKED	
Cc1nc(NC(=O)c2c(F)cccc2Sc2ccccc2)sc1SCC#N	463583658	RAUXYFKGFZWTDL-UHFFFAOYSA-N	415.540	5.610	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	463863224	AJHPVGORWUOJCZ-UHFFFAOYSA-N	420.488	5.335	30	20	HKED	
CCN(Cc1c(C)nn(Cc2ccc(OC)cc2)c1C)[C@H](C)c1ccc(C#N)cc1	468392793	NRRPTTMBGLRAOC-LJQANCHMSA-N	402.542	5.012	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)n1	474419870	BXRSPPQBJDLVSI-SFHVURJKSA-N	407.470	5.148	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	474435331	TVMPBUPJPWNROR-CQSZACIVSA-N	407.333	5.306	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	475002048	QHLVEWRPXJDBNT-KRWDZBQOSA-N	424.888	5.388	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3cnc4ccccc4c3)cc2F)c1	475501122	CCHLDHYMWPRPFU-UHFFFAOYSA-N	411.436	5.006	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1	475556751	WVRKWLVJSAVSSW-OAQYLSRUSA-N	408.542	5.336	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1cccc(OCc2cccnc2)c1	476163638	UQHGRKWKYTWYTP-UHFFFAOYSA-N	400.522	5.694	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1	476361392	AEWKKDQOPMOZRS-JKSUJKDBSA-N	401.963	5.223	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNC(=O)Nc2cccc(C#N)c2C)on1	477505431	YYEZYNHJGUXDSG-UHFFFAOYSA-N	412.449	5.005	30	20	HKED	
Cc1ccccc1[C@@H]1CCCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479197211	YNZWAXYPKBCTJT-BBHUYCHWSA-N	403.526	5.103	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482393348	DVKRHYMPEBQRNJ-FVMDXXJSSA-N	408.317	5.249	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccnc4ccncc34)cc2Cl)cc1	487570669	VMBPHWPTKWFHLM-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cn1nc(-c2ccsc2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	488281603	MYAFCBHLIURYSM-UHFFFAOYSA-N	400.463	5.065	30	20	HKED	
COc1ccc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1OCCCC#N	494100996	RBZTZPVBUFTYAW-CJLVFECKSA-N	415.449	5.270	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1cc(C#N)ccn1	498914447	YSSKCFFZUQBKKW-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
N#C[C@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Br)cc1	499441412	GOVMTWCGAKHJEJ-NRFANRHFSA-N	403.279	5.015	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCCc4ccccc4C3)c2)cc1	499607535	PUALKLJSFNZEIO-UHFFFAOYSA-N	411.505	5.312	30	20	HKED	
COc1ccccc1C1(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1	501884561	YIOCVYAUIBXZAO-UHFFFAOYSA-N	412.489	5.011	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1	502045158	DXBKWNMTGFPFGW-OAQYLSRUSA-N	402.489	5.147	30	20	HKED	
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(NC(=O)c2ccncc2)cc1	507638414	SKWDLSKEXDJFHC-VYVOKACLSA-N	424.548	5.389	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2	509226542	WXSBCYDHKJCCIW-BMRADRMJSA-N	401.897	5.361	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)cc2F)c1	510844508	HYZINDWLWUPNFB-HOTGVXAUSA-N	406.379	5.193	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1	510988522	ZKSGUUSYPIMVRT-INIZCTEOSA-N	413.468	5.004	30	20	HKED	
COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	513200338	IDCNKFHOFOFHIU-ROUUACIJSA-N	415.493	5.037	30	20	HKED	
C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccc(C#N)cc1	516836264	CDDJOGITRLCELP-NYHFZMIOSA-N	407.876	5.501	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cnn1-c1ccc(Cl)cc1	517605175	JAPIYCDOCYATCO-GOSISDBHSA-N	419.699	5.136	30	20	HKED	
CCOCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	517906261	YTKTZAPOMSCAHX-UHFFFAOYSA-N	417.484	5.468	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(COc2ccccc2C#N)o1	519115423	JQBNCVSRIZYMSM-UHFFFAOYSA-N	414.383	5.021	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(Br)ccc2Cl)cc1	521292929	BDUXWWJMQKLACL-QGZVFWFLSA-N	405.723	5.395	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	521768301	BKODVIYDFSHRCJ-LIRRHRJNSA-N	403.309	5.193	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1	521789905	JFFCYGDSWLSHFZ-UHFFFAOYSA-N	416.506	5.395	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCSc4c(F)cccc43)c2)c1	522305166	XJSJOKOXABDNJH-JOCHJYFZSA-N	418.493	5.243	30	20	HKED	
CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	524903192	DJRJRHXSMJLEPF-QHCPKHFHSA-N	419.569	6.154	30	20	HKED	
COc1cccc(C2=CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)c1	531453105	AJYLLOLJHAFMKD-UHFFFAOYSA-N	424.500	5.075	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	537006982	FRLMZWBXRGCKOX-LJQANCHMSA-N	421.850	5.523	30	20	HKED	
CCN(C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1ccc(C#N)c(Cl)c1	538073706	IWFLKFOEFPZGAY-UHFFFAOYSA-N	411.933	5.182	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(OC2CCC2)c1	538810112	XHWKFZWMQRQUBR-UHFFFAOYSA-N	421.444	5.290	30	20	HKED	
COc1ccc(CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C2CCCCC2)cc1OC	539650927	MMGNEHWLGYMYID-UHFFFAOYSA-N	418.537	5.234	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)o1	542927013	CWEWRHOCTSYGPG-MRXNPFEDSA-N	408.461	5.075	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N2CCC(CC#N)CC2)nc1-c1ccc(Cl)cc1	543780558	MLNADXTWJXAAES-CYBMUJFWSA-N	402.951	5.168	30	20	HKED	
N#Cc1cccc(C2(c3nc(-c4ccc(NC(=O)Nc5ccccc5)cc4)no3)CC2)c1	547036198	AJDYXUJEHKLAGE-UHFFFAOYSA-N	421.460	5.332	30	20	HKED	
C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1cscn1	549272263	BTLJFDAQHXJXFN-UHFFFAOYSA-N	422.583	5.046	30	20	HKED	
Cc1c(C(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)sc2ccc(C#N)cc12	550542953	DXGPHRBBWRJLRH-ZDUSSCGKSA-N	404.520	5.091	30	20	HKED	
N#CCCC[C@@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)c1ccccc1	559363129	TWPNWQUERRYQEB-OAQYLSRUSA-N	404.491	5.299	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1cccs1	562099767	JROBNMLXTXYRAU-HXUWFJFHSA-N	404.495	5.422	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)n1	572687036	LKUYQPWLYANXCS-HNNXBMFYSA-N	408.552	5.842	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1nc(O)c2cc(-c3ccccc3)sc2n1	579740688	QLOOKURAXUNZKP-UHFFFAOYSA-N	417.534	5.261	30	20	HKED	
N#Cc1ccc(N2CC[C@@H](C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)C2)c(F)c1	582114579	VUBMIZZTLQVHAX-QGZVFWFLSA-N	421.422	5.108	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	582611663	HBZXNAXORSOLDJ-ZDUSSCGKSA-N	413.268	5.112	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccco2)cc1	603637555	DGAGYSXJJGFFQT-VWLOTQADSA-N	408.457	5.250	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc(-n4cccc4)cc3)c2)cc1	603814639	ZGYPLRCQNGXMHC-UHFFFAOYSA-N	421.500	5.304	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OC(F)F)c(F)c1	603971277	WFUOXFDEWPYDRY-UHFFFAOYSA-N	414.408	5.702	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1NC(=O)Nc1ccccc1	607434000	QKHKNSIULIGDLW-SFHVURJKSA-N	410.433	5.270	30	20	HKED	
CC[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1OC(F)F	609080507	IRDHOTSVKOGOAJ-ZDUSSCGKSA-N	411.355	5.034	30	20	HKED	
COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1Br	609115370	CFKFXIMMNATLEZ-UHFFFAOYSA-N	413.296	5.310	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(Cc2ccccc2)n1	609377337	TUNUSNOXGSBVSK-MRXNPFEDSA-N	407.564	5.167	30	20	HKED	
C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(Cl)c1Cl	609805671	OKEAHXRSYCZZRL-AWEZNQCLSA-N	418.324	5.179	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1-c1ccc(Cn2ccnc2)cc1	611392226	NONFFYDIKNXLMX-NDEPHWFRSA-N	418.544	5.637	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)N[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cs1	619503969	MUFFECLWMANSAD-ZIAGYGMSSA-N	424.957	5.321	30	20	HKED	
C=CCc1cc(CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc(OC)c1OC	622949201	XBONHKQPASGILA-UHFFFAOYSA-N	423.340	5.081	30	20	HKED	
CC(C)(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	678019280	SHJZENOUEMNSBX-GHMZBOCLSA-N	416.337	5.208	30	20	HKED	
O=C(c1ccc(C(F)(F)F)cc1Cl)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	678731259	MKINPFCRMJUQDP-RKDXNWHRSA-N	413.667	5.172	30	20	HKED	
O=C(CCCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	681136745	BRZMTIHHWKRMIT-CHWSQXEVSA-N	421.303	5.227	30	20	HKED	
C[C@@H](NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1nc2ccccc2n1C(F)F	683186453	XNIFWIYTIJAKFE-MRVPVSSYSA-N	419.300	5.219	30	20	HKED	
CC(=NNc1ccc(Br)cn1)c1sc(-c2ccc(Cl)cc2)nc1C	727647677	BYHDOYAGUBZKHS-UHFFFAOYSA-N	421.751	5.766	30	20	HKED	
CCc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	727978212	CJTZHDUQRFXBLC-UHFFFAOYSA-N	401.535	5.817	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1	728481619	OTESFGAQNYIGIY-UHFFFAOYSA-N	411.436	5.164	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728667792	BFSOKDPUUNKXIW-GOSISDBHSA-N	414.461	5.151	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1	728766987	RFCKRSFGURYWLI-BEVDRBHNSA-N	416.443	5.584	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	732060886	AUXXHGJUWZWEDA-UHFFFAOYSA-N	419.550	5.774	30	20	HKED	
CC(CC(C)(C)c1ccccc1)=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	733079788	KVZYVVJFEDOWRH-UHFFFAOYSA-N	413.447	5.713	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nnc(-c2cccs2)o1	738750131	VRJMGPADPHQJQR-CQSZACIVSA-N	416.462	5.331	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(SCc2cccc3ccccc23)sc1=S	739841293	GDVIQVRERLDRAO-UHFFFAOYSA-N	414.625	5.701	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2[C@H]3CC[C@H]2c2ccccc23)c1=S	739877337	UXGFWTVSCYETTD-PMACEKPBSA-N	408.958	5.770	30	20	HKED	
N#C[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1	744038152	OBKOZAOXIPAQLZ-INIZCTEOSA-N	417.292	5.167	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)c1	745820632	LOFAIRBJJNDGCE-ZJSXRUAMSA-N	405.542	5.421	30	20	HKED	
COc1cc(Br)ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	748617718	CFHPQKYGOWDLCW-HXUWFJFHSA-N	421.294	5.365	30	20	HKED	
CC[C@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	749026462	WSRFPLNWYZVVTA-LRDDRELGSA-N	403.816	5.119	30	20	HKED	
CCc1ccc([C@H](NCc2cccc(O[C@@H](C#N)CC)c2)c2ccc([N+](=O)[O-])cc2)o1	753678567	KNFCBOAHXKNXRB-ZJSXRUAMSA-N	419.481	5.310	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl)c1ccncc1	760171557	UDAMPDFQGHQQLW-OALUTQOASA-N	415.969	5.060	30	20	HKED	
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C12CCC2	764057079	YNMFLXJMWPBHTJ-YTFSRNRJSA-N	403.526	5.153	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OCc2cccnc2)c1	766492325	WASRSUPOOYNGAI-WEVVVXLNSA-N	424.840	5.127	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)c3ccc(OC(C)C)cc3)o2)cc1	768462277	QKSJHZRZGRDCTB-UHFFFAOYSA-N	410.495	5.064	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1	772696085	YYKDXSAJTSFYHM-UHFFFAOYSA-N	422.710	5.054	30	20	HKED	
C[C@@H](CSCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	772974546	LIHNEBKHBLVGIH-OXJNMPFZSA-N	417.559	5.428	30	20	HKED	
Cc1ccc(S[C@H](C(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2)c(C)c1	780175252	DJYIMQKNADUFRZ-DVECYGJZSA-N	416.546	6.066	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12	784689652	JZINRVFKWMAAQK-UHFFFAOYSA-N	423.472	5.051	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1	790965172	GRTMYOGPSAVENU-IBGZPJMESA-N	413.905	5.001	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)[C@@H](C#N)c2nccc3ccccc23)c1	792104040	NNOFOKSJUBKXGO-RUZDIDTESA-N	406.485	5.541	30	20	HKED	
COc1cc(/C=C(/Cl)c2nc3cc(Br)ccc3o2)ccc1OCC#N	794737176	CDUSVCGNJQUBND-MDWZMJQESA-N	419.662	5.238	30	20	HKED	
C#CCCOc1ccc(/C=C2\SC(=S)N(CCCCC(F)(F)F)C2=O)cc1	794860974	AUNQIHIGOWNUSS-SSZFMOIBSA-N	413.486	5.023	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2nc(-c3ccccc3)oc2c1	796633303	NTTAISINCVCQHQ-MRXNPFEDSA-N	415.836	5.109	30	20	HKED	
N#Cc1ccc(CNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl	801070745	OHNDWAOTSQEXLA-UHFFFAOYSA-N	409.487	5.150	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1)C2	804698935	XIIVTJWNXIYZCS-YQQAZPJKSA-N	407.370	5.348	30	20	HKED	
COc1cc(/C=C/c2nc3cc(Cl)cc(Br)c3o2)ccc1OCC#N	812242256	OOBBZDMZKHPIEH-HWKANZROSA-N	419.662	5.325	30	20	HKED	
N#CC1(CC(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)CC1	815875792	IQAVDFSOVHRRJO-UHFFFAOYSA-N	406.230	5.103	30	20	HKED	
O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)c1cccc(C(F)(F)F)c1F	816065881	ORFWHGIZXHAFAF-ZDUSSCGKSA-N	407.241	5.446	30	20	HKED	
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C=Nn2cnnc2-c2ccccc2)c1	818268885	SIIBWAXOYFOREJ-UHFFFAOYSA-N	422.467	5.128	30	20	HKED	
N#C[C@@H](C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2ccccc2o1	915104533	GYEAUDSKPUEYBM-CZNFOMIPSA-N	413.315	5.128	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nc2ccccc2s1	916627335	NEHVFTKAAOJGMJ-IBGZPJMESA-N	420.497	5.639	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C	916975801	FWHAQIVBZKVTNS-LJQANCHMSA-N	422.937	5.920	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)n2)cc1	920143821	SWEGJFQUVSNDCY-RPPVQHOKSA-N	420.578	5.992	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)c1=S	920305964	RCXYVRNQTZHBSH-AWEZNQCLSA-N	422.520	5.679	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCS3)CCC2)cc1	1785842438	SMRVTBMCGMPGKA-LJQANCHMSA-N	400.588	5.009	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncsc34)CCC2)cc1	1791250215	KSBBIPUGQPWKIH-MRXNPFEDSA-N	419.550	5.256	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1	1819556084	SCBFSBHUSDVUGB-LJQANCHMSA-N	400.567	5.141	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(C)C)cc3)CC2)C1	1830055006	LREPLQSBQVXMFG-DEOSSOPVSA-N	408.586	5.010	30	20	HKED	
COc1ccccc1-c1nnc(SCc2ccc(-c3ccccc3C#N)cc2)n1C	22415881	KYJHYDCATNQBQL-UHFFFAOYSA-N	412.518	5.322	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c2cnn(C(C)C)c2n1	41503015	CANYBYVFXXGAQK-HNNXBMFYSA-N	403.511	5.235	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)o2)cc1	57865532	CLIZZQCWHDTTKS-LBPRGKRZSA-N	404.417	5.492	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C	60677951	BBPBRUOTDQCRPK-UHFFFAOYSA-N	416.550	5.569	30	20	HKED	
C=C(C)COc1cc(CNCc2cccc(NC(=O)C3CCCC3)c2)ccc1OC	60948634	GIZHOVMABVQICB-UHFFFAOYSA-N	408.542	5.069	30	20	HKED	
C[C@@H](C#N)CN(C)C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1	63747322	VFHSURMKNHUNQK-LBPRGKRZSA-N	419.337	5.139	30	20	HKED	
Cc1ccccc1OCCCNC(=O)c1ccccc1Sc1ccccc1C#N	78512140	FCBHLHPQOHOFTM-UHFFFAOYSA-N	402.519	5.217	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(OC(F)(F)F)cc1	78720085	RFTTUWGOIXELGK-AWEZNQCLSA-N	408.445	5.551	30	20	HKED	
Cc1ccc(SCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1C	106115903	VMPQGIVGGLYUCH-UHFFFAOYSA-N	417.534	5.792	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3(C#N)CCCCC3)cc12	302364907	IUJYELDXAAQQOF-UHFFFAOYSA-N	412.946	5.064	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC2(c3cccc(Br)c3)CCC2)cc1	302942128	AJFGKBTZVGDQOO-UHFFFAOYSA-N	412.331	5.451	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CC1	303283643	JGIIMEYCTIWGDU-UHFFFAOYSA-N	424.545	5.264	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1	303964288	PDJMZHAGMAFIDH-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
COc1cc(CN(C(=O)Nc2ccc(C#N)cc2Cl)C2CC2)ccc1OC(F)F	426135436	FLEREECKSUDNFA-UHFFFAOYSA-N	421.831	5.018	30	20	HKED	
FC(F)Oc1ccc([C@H](NCc2ncccc2C(F)(F)F)C(F)(F)F)cc1	429327697	BSIFJNPRGDSXHE-ZDUSSCGKSA-N	400.269	5.095	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1	429354919	DYHGSTBHQZUVFQ-HXUWFJFHSA-N	404.495	5.485	30	20	HKED	
CN1C(=O)N([C@H](CCCC#N)c2ccccc2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1	432043158	ZKNAQHJFGRJINW-RTBURBONSA-N	416.308	5.364	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ncc3n2CCCC3)CC1	432869351	VYUJJUNVYZNLTO-QGZVFWFLSA-N	423.586	5.025	30	20	HKED	
Cc1cc(-c2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c3cnn(C(C)C)c3n2)c(C)o1	434020401	FICMFESXAPHABB-NRFANRHFSA-N	419.529	5.043	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nc(C)cs1	437850152	WORATTXKFYKWML-QHCPKHFHSA-N	420.538	5.871	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1	438042179	OSKRIFGAWVAJDS-IRXDYDNUSA-N	405.527	5.007	30	20	HKED	
Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1C1CC1	439403093	NIEZTMJWRQLVHO-UHFFFAOYSA-N	411.461	5.114	30	20	HKED	
COc1cccc([C@H](NC(=O)NCC2CCC(C#N)CC2)c2ccccc2Cl)c1	440998452	IZOIPHJRJFHRHV-XWTGJVNOSA-N	411.933	5.067	30	20	HKED	
CC(C)[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nc(C2CC2)no1	444684795	OGGZAUVDMYGHSB-QFIPXVFZSA-N	400.526	5.134	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccccc1	445589903	YZSBNTXCPFPECV-HNNXBMFYSA-N	421.501	5.097	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1	445794067	HRIIMUDFDLDCGO-UHFFFAOYSA-N	423.416	5.191	30	20	HKED	
CCCCCc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	446512774	PUNHTIHVVACVAI-KRWDZBQOSA-N	409.555	5.248	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1Br	447420281	ZOIUJAUWVBPNFE-LLVKDONJSA-N	407.308	5.401	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1cccc(C#N)c1	462481851	CKUNHHCZBCYZDY-CQSZACIVSA-N	421.859	5.345	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1cc(C(F)(F)F)ccn1	464471738	ZIZNDSZLSOBCFD-CYBMUJFWSA-N	424.300	5.869	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464472243	NYQKULTZBRNCFN-AWEZNQCLSA-N	421.831	5.676	30	20	HKED	
Cc1cccc2oc(CCNC(=O)c3ccccc3Sc3ccccc3C#N)nc12	464936725	CJEQLNHCTYQABN-UHFFFAOYSA-N	413.502	5.132	30	20	HKED	
Cc1nn(-c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)c(C)c1Cl	464940916	FHEJTSXJBJHESU-FCHUYYIVSA-N	418.928	5.055	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2ccc(-c3nnc(C)o3)cc2)C(C)(C)C)cc1	467877814	RYUMGOBEJYQTCJ-UHFFFAOYSA-N	405.498	5.051	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Cl)cc2Br)cc1	471789412	QBFWYTCAZISKNO-UHFFFAOYSA-N	407.695	5.062	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1	473607785	CQQNTSYTFRWAAH-UHFFFAOYSA-N	409.392	5.010	30	20	HKED	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1	473639004	HDVDZVYQZHGWJD-HZAQMHFWSA-N	416.546	5.049	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(F)cc2)cc1	475168947	BGYVRKWYMJFVPO-QHCPKHFHSA-N	402.469	5.155	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(-c2cccnc2)cc1	476458301	MBGXIFPKJHUEIE-QTLGCAHFSA-N	410.521	5.291	30	20	HKED	
CC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1cc(F)cc(Br)c1	476814042	CAODATQTUAFHKK-HNAYVOBHSA-N	403.295	5.243	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	477774864	YWFOSYQJZFFDOP-UHFFFAOYSA-N	417.509	5.016	30	20	HKED	
CCS[C@H]1CCC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	482230495	RZUOXXAYLBTGPE-UXHICEINSA-N	410.608	5.645	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1	488263935	JFIUPIWTDNLLPS-LURJTMIESA-N	401.307	5.203	30	20	HKED	
COC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	488289100	AQSAOJVPKUPYNL-KSSFIOAISA-N	403.935	5.101	30	20	HKED	
COc1cccc(SCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	498487481	JIBCZPMAYVGWCF-UHFFFAOYSA-N	420.509	5.340	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)cc1	498538651	FVDLWQGORLRUBO-CQSZACIVSA-N	407.297	5.106	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCCc3c[nH]c4ccccc34)c2)cc1	501457074	VMGGPLFHUSUSNS-UHFFFAOYSA-N	423.516	5.774	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N[C@H](C1CC1)C(F)(F)F	502680036	PXHVDTFGYCXGGP-VXGBXAGGSA-N	422.291	5.339	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(C#N)cc1	506889956	CEFUPFRORNLDNZ-MEDUHNTESA-N	415.337	5.241	30	20	HKED	
Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccccc4-c4ccccc4C#N)C3)[nH]c2c1	508249764	SPHCAJWBXDDQOF-HXUWFJFHSA-N	420.516	5.430	30	20	HKED	
C=CCOc1c(Br)cc(CN(C)[C@H](C)c2ccccn2)cc1OCC	508618895	DUGSQKCNVUCJEY-OAHLLOKOSA-N	405.336	5.001	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccccc2C)C1	508831577	DZKURIPGCYQVQO-NHTMILBNSA-N	414.553	5.012	30	20	HKED	
Cc1sc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c(C#N)c1C	508927123	XHKNXYAGQYAKQM-UHFFFAOYSA-N	421.469	5.560	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1	509546410	YIRJDBOQRADVMM-GOSISDBHSA-N	400.821	5.202	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1	510820726	KPAUQLCFDBAXHH-UHFFFAOYSA-N	415.783	5.253	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2	512040005	GMBONVBEPKMVAX-GXSYWRQXSA-N	421.610	5.321	30	20	HKED	
C=C(C)CN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)Cc1cnn(C(C)C)c1	512522180	PPSKWCXKGQWMHU-UHFFFAOYSA-N	410.606	5.728	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1	517572288	HYWCVKQKHUJLFL-INIZCTEOSA-N	417.465	5.290	30	20	HKED	
Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccoc2)n1	518074686	UBAPWUHBRBDOST-LJQANCHMSA-N	416.868	5.241	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCOc3ccccc32)cc1	519488150	WHKYXAMPRVKFMY-FQEVSTJZSA-N	414.530	5.147	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	521220295	MFBAEYJNHJKVFO-NRFANRHFSA-N	414.534	5.014	30	20	HKED	
C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C(C)(C)C)cs1	521635351	HXWKAORVYCMDED-MRXNPFEDSA-N	419.550	5.382	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3	521727350	UJGNPVITABGTND-HOTGVXAUSA-N	403.551	5.797	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	521807839	CQHATSWITASDDX-UHFFFAOYSA-N	404.310	5.083	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	521849588	QBAUEDKWAZBERX-HNNXBMFYSA-N	401.806	5.001	30	20	HKED	
Cc1cc(Cl)cc2c1N(C(=O)c1ccc(COc3ccccc3C#N)o1)CCC2	522745414	WZYQSMBIQQXLBR-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CSc2ccccc21	522785316	OXNZXRBZERAVAB-QFIPXVFZSA-N	415.518	5.414	30	20	HKED	
COc1ccc(CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	524458154	ILSCIMWEDPXTLP-UHFFFAOYSA-N	418.468	5.246	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C1CC1	534106061	SJITWTGWSLBVIU-DYVFJYSZSA-N	424.957	5.998	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc([C@@H]2CCOC2)c1	535587866	WZDYHPOSUVJWFT-HSZRJFAPSA-N	412.489	5.202	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)CCCn3ccc4cc(Cl)ccc43)CC2)c1	536316410	RSCFDRRBYMUXSJ-UHFFFAOYSA-N	421.928	5.017	30	20	HKED	
FC(F)n1c(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc2ccccc21	538321096	STHIEVPIDUXOAT-OAHLLOKOSA-N	423.307	5.843	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3ccc(Br)cc3)C3CCC3)o2)c1	539278759	GEBITIJTEFWUGN-FQEVSTJZSA-N	423.314	5.002	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2)cs1	539499972	OAZNLJCYYJQYQZ-SFHVURJKSA-N	416.594	5.305	30	20	HKED	
C=CCC[C@@H](NCc1ccc(Oc2ccccc2)nn1)c1ccc(C(F)(F)F)cc1	540432514	RMFHHVAPAIGQEA-OAQYLSRUSA-N	413.443	6.085	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC	541066295	DGTZQBVLXDLCCW-KRWDZBQOSA-N	402.494	5.102	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	542957328	LIHYCTLIPKVJQV-VLIAUNLRSA-N	423.879	5.151	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)CC1	548809653	UCCFRHDNAVFHFY-UHFFFAOYSA-N	418.447	5.116	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C	548962472	ULAPZCNSEGJOPE-WYNJDRFBSA-N	422.960	5.256	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1	550281854	MHDXSENTTXPPDD-KRWDZBQOSA-N	404.882	5.139	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Cl)c1	562577089	RUBKHHLANJKIEC-OAHLLOKOSA-N	406.873	5.147	30	20	HKED	
CC(C)OCc1cc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1O	564439212	PJRQYMWIYLZVEQ-UHFFFAOYSA-N	418.453	5.020	30	20	HKED	
CCc1cccc(Oc2cc(-c3noc(C[C@@H](CC#N)c4ccccc4)n3)ccn2)c1	564498885	ROCAIDJKQOPOQA-HXUWFJFHSA-N	410.477	5.726	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccsc1	575839532	MGDVEWRPLGLTLU-ACRUOGEOSA-N	406.555	5.112	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1F)c1nc(O)c2c(-c3cccs3)csc2n1	576322390	YNIJTFGYYRKONX-JTQLQIEISA-N	413.524	5.989	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)CCCCOc1cccc(C#N)c1)C(F)(F)F	584371118	RLFHIMFGRFKMQV-HNNXBMFYSA-N	406.404	5.076	30	20	HKED	
CCOc1ccc(-c2nc(COc3c(Br)cccc3CC#N)co2)cc1	589268320	SXTDIEUPKOKFKN-UHFFFAOYSA-N	413.271	5.148	30	20	HKED	
N#Cc1csc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)n1	589544900	GKSQYRWOLMMVCZ-MRXNPFEDSA-N	401.278	5.093	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1Br)c1ccc(F)c(Br)c1	590192977	JJZJKEFSVHFCTK-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccc(OCC)cc3)cc2)CC1	592328112	GVARMXBBQMZHEG-UHFFFAOYSA-N	409.530	5.040	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1ccccc1	592974179	PEQLDUDJDIVCJM-MRXNPFEDSA-N	404.470	5.235	30	20	HKED	
FC(F)c1nc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc2n1	595530978	BVJBMYYQFARMME-RKDXNWHRSA-N	413.312	5.889	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)s2)cc1	603649733	HTQNESDDLLUASX-HXUWFJFHSA-N	406.486	5.114	30	20	HKED	
CSCc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)oc2ccccc12	603969439	VHVOCPBAYAYUJP-UHFFFAOYSA-N	404.516	6.148	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3nc(-c4ccc(Cl)cc4)no3)c2)c1	604007184	UOKCQRDNIMJTII-UHFFFAOYSA-N	416.868	5.453	30	20	HKED	
COc1cccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	604084941	MAEVMEUPSFEICC-ZHRRBRCNSA-N	419.912	5.887	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609046941	MMRZOVSNDPHMJI-NRFANRHFSA-N	414.465	5.123	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C2CCCCC2)n1	609064504	AIQQXQIMJDYPBS-UHFFFAOYSA-N	414.509	5.171	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(Nc4ncccn4)c3)c2)cc1	609177448	VGESBSYEXWATLL-UHFFFAOYSA-N	407.433	5.136	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)c2)cc1	609209157	ZGEFSRUONNXSNR-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1ccc(C(=O)Nc2ccccc2)cc1	609431711	FJOXHGPCGUGTAN-SFHVURJKSA-N	401.535	5.945	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1Br	609593934	NKRQHTYNOOGAJJ-INIZCTEOSA-N	412.114	5.070	30	20	HKED	
CC(C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1	609928031	QJDPAIRGUYTMEC-UHFFFAOYSA-N	417.484	5.528	30	20	HKED	
C[C@@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1cccc(C#N)c1	616044495	QLDPDCRTCAOFJE-ZHRRBRCNSA-N	417.488	5.085	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1cccc(C)c1	617936727	WYVDASCGKVQWEP-GOSISDBHSA-N	406.555	5.176	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccn3Cc3ccccc3)n2)cc1	619756461	SKTGBLDRZVYPSE-FQEVSTJZSA-N	413.502	5.159	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cncc(C(F)(F)F)c1	622484956	AGADBGPOGHHQBL-GFCCVEGCSA-N	416.243	5.153	30	20	HKED	
COc1ccc(OCc2nc(/C=C/C(=O)c3cn(C)c4ccccc34)cs2)cc1	726740493	HXUILALUZDFJJK-KPKJPENVSA-N	404.491	5.119	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)c2ncc[nH]2)c1	729240728	YEHULMKYIFZJDV-LFVJCYFKSA-N	410.473	5.421	30	20	HKED	
Cc1occc1-c1nnc(SCc2ccc(OCC#N)cc2)n1Cc1ccccc1	729241361	WUXFVBFBZDZCBB-UHFFFAOYSA-N	416.506	5.090	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cc2ccccc2n1CC#N	729648122	KQCHIXATOGXYPM-UHFFFAOYSA-N	408.914	5.003	30	20	HKED	
C[C@@H](OC(=O)c1cccc(C(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	729747001	JUGBZKUSFIGNBJ-GFCCVEGCSA-N	418.465	5.010	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	732496508	XCOXVRGNNOIMDC-KDOFPFPSSA-N	412.967	6.068	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)ccc1OC	733276542	FYYJPHOCIHGVJU-IBGZPJMESA-N	419.525	5.085	30	20	HKED	
N#CCOc1ccc(COC(=O)Cc2cccc(OCc3ccccc3Cl)c2)cc1	733549936	BJRJRCFFTQKKHQ-UHFFFAOYSA-N	421.880	5.107	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1	734081030	DGWXNRULPMQMQG-HRCADAONSA-N	414.317	5.492	30	20	HKED	
COc1cc(COC(=O)c2ccc3ncccc3c2)ccc1OCc1cccc(C#N)c1	735136025	JUQOIHNFBAXWDA-UHFFFAOYSA-N	424.456	5.051	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(NC(=O)/C=C\c2ccccc2C#N)c1)c1ccccc1	737698347	AHWYXFPMZCBDKH-OWBHPGMISA-N	415.880	5.140	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4ccccc4F)oc3C)n2)cc1	739156882	RHWOLKGXSFKKFD-QGZVFWFLSA-N	417.465	5.711	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)no1	743237524	AVRPVYQPZZECGE-IBGZPJMESA-N	406.417	5.155	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2ccccc2OCC#N)c2ccccc2Cl)c(C)c1	744376821	CCHWTSIKZDNEBJ-HSZRJFAPSA-N	420.896	5.079	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccccc2)o1	749026800	RKWZQCRTIZPJMH-LJQANCHMSA-N	402.450	5.158	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(F)c1F)C(=O)Nc1ccccc1Oc1ccccc1	750392102	MLHDXSRSJXYJMH-GOSISDBHSA-N	420.415	5.037	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCSc3ccnc4cc(Cl)ccc34)[nH]c12	751844388	PAEHFUABYOVEQW-MRXNPFEDSA-N	420.925	5.432	30	20	HKED	
Cc1nc2ccc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)cc2s1	754911503	GLISPKHCAKBYMY-UHFFFAOYSA-N	415.547	5.111	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1CCc2ccccc2C1	760971037	XISPFHBDZBLJDB-MGPUTAFESA-N	421.953	5.087	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1	764055590	URCPXULFUGRYRP-RPBOFIJWSA-N	410.521	5.450	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCc1cccc(C(F)(F)F)c1	770843013	NBHRIGKLTAAMQZ-GOSISDBHSA-N	412.411	5.410	30	20	HKED	
Cc1cc(CC(=O)Nc2ccccc2O[C@H](C)C#N)c(C)n1-c1ccc(Cl)cc1	780161309	MHOYWVPXYCTXFI-MRXNPFEDSA-N	407.901	5.220	30	20	HKED	
CSCc1ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1	787050718	LNJFDAYRPFHGAQ-PXAZEXFGSA-N	421.349	5.056	30	20	HKED	
COc1cccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1	796800239	WDMBNBTXGYCGKP-GOSISDBHSA-N	408.910	5.380	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1F	797568534	JPVDLQMEZTXUMQ-ZDUSSCGKSA-N	417.506	5.417	30	20	HKED	
N#Cc1ccc(F)c(COC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1	804204818	LZLXRKGPLXNLPF-UHFFFAOYSA-N	414.845	5.022	30	20	HKED	
CCO[C@H](c1noc(Cc2ccccc2CC#N)n1)c1ccc(F)cc1C(F)(F)F	809533018	RKOZSEXMWPAIHS-IBGZPJMESA-N	419.378	5.010	30	20	HKED	
C[C@@H](NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1	820802962	FUIWHSNEEMKBKQ-GOSISDBHSA-N	421.541	5.127	30	20	HKED	
C=C(Cl)CSc1nc(C)c(Cc2nc(-c3nccc4ccccc34)no2)s1	904593173	FZHRZJVAMNZRKV-UHFFFAOYSA-N	414.943	5.485	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(Br)c3)cc2c1C	914773769	VSWUNBWPLBLLLP-ONEGZZNKSA-N	422.325	5.111	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C\C(=O)c1ccc(OCC#N)cc1	916152330	ZPKQWHKJGKPTAT-KTKRTIGZSA-N	412.276	5.286	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1Br)c1nc2cc(Cl)ccc2s1	917047503	YVSKQNIBJFVKPJ-ZDUSSCGKSA-N	419.731	5.521	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)o1	917632784	MJCGYJSRURLLMX-DEOSSOPVSA-N	410.429	5.072	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	920265558	QOTBVDJSTHGTFR-QGZVFWFLSA-N	414.461	5.014	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC)cc3)CCC2)cc1	1789451685	SJWITSKGVBYWHT-HSZRJFAPSA-N	417.553	5.244	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1819304401	ATZKFNJXSLYOOP-FPOVZHCZSA-N	412.578	5.141	30	20	HKED	
COc1cc(C(=O)Nc2cccc(C#N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	9856084	BEINBIZCNVAENG-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccccc2CC)c1	10174501	CTROXHQCEWXWIP-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(CC#N)cc2)cc1	16495992	WXFLLJZQXUWPCF-UHFFFAOYSA-N	409.489	5.481	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cccc3cccnc23)cc1	29451771	GEKLCGCZBPDTNT-UHFFFAOYSA-N	423.541	5.371	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1	41500909	HEHOAOHAALTXEJ-LBPRGKRZSA-N	407.476	5.002	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1	56212893	NFHCHFDTNSJWPC-UHFFFAOYSA-N	405.523	5.267	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1OCc1ccccc1	63402731	QHBAAVLRVPZYAE-UHFFFAOYSA-N	411.505	5.035	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(F)cccc2s1	106115838	XVDUPYLBQKBDNZ-UHFFFAOYSA-N	403.438	5.660	30	20	HKED	
Fc1ccc([C@H](CC(F)(F)F)N[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1	427520594	BGHDTOCSIMOOSM-IRXDYDNUSA-N	406.345	5.900	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1	429477809	SUNAUZKGYHFHEZ-UHFFFAOYSA-N	416.864	5.172	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc([C@H]4CCCOC4)nc3C)n2)cc1	429681379	KNRJSIIUEGGWBY-DLBZAZTESA-N	423.563	5.268	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(-c3ccc(C)o3)ccc2C)cc1	432149985	ZXMBJYYQVPRPFT-UHFFFAOYSA-N	404.470	5.515	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2occc2Br)cc1Cl	433858196	HYXXDSNAINTCRY-HNNXBMFYSA-N	415.674	5.603	30	20	HKED	
CC1(C)Cc2ccc(Cl)c(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2O1	435328301	QSBCWZVQVUZCBH-UHFFFAOYSA-N	407.901	5.246	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Br)c(Cl)c2F)c1	435554322	OMEICUXMOFOGES-UHFFFAOYSA-N	411.658	5.176	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	436135505	QRHDCMMAJLIQRQ-UHFFFAOYSA-N	411.962	5.795	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(CCN2CCCCC2)cc1	437872349	OMDMFHTVLXRXRV-DQEYMECFSA-N	416.569	5.019	30	20	HKED	
CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	437888000	GNDOOLMFPFJPQQ-VGOFRKELSA-N	404.514	5.243	30	20	HKED	
C[C@@H](SCc1nc(Cc2cccc(Br)c2)no1)c1cccc(C#N)c1	443143358	SATQLYSIRADYHF-CYBMUJFWSA-N	414.328	5.289	30	20	HKED	
COc1ccc(N(C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C2CC2)cc1	444136936	GGGLURJBVZXQRG-SFHVURJKSA-N	401.510	5.399	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c(C#N)c1C	445996825	SISZDRUUAZEJTK-IYJAJMOOSA-N	419.447	5.040	30	20	HKED	
N#C[C@H](C(=O)c1cccc2cccc(Br)c12)c1cc(C(F)(F)F)ccn1	464426151	IRTDAMIVBIJIIF-AWEZNQCLSA-N	419.200	5.506	30	20	HKED	
CC(C)CO[C@@H](C)c1noc(CSCc2ccc(-c3ccccc3C#N)cc2)n1	467556185	XKRHKXAMGFNALN-KRWDZBQOSA-N	407.539	5.775	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C	467557808	OAKCKJLGMQVFCE-KBPBESRZSA-N	401.482	5.510	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCC[C@@]12CCCCO2	468138951	UOIGWBQNEQJUHK-CTNGQTDRSA-N	400.931	5.136	30	20	HKED	
CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(OCc2ccccc2)cc1	468790829	CRFUBGPLUKJXOM-UHFFFAOYSA-N	409.445	5.069	30	20	HKED	
CC(C)[C@H](CSc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	468904602	GSXQTDXYIQTDLC-QFIPXVFZSA-N	407.583	5.498	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1	471182353	RKCRUSVQRJYCMO-UHFFFAOYSA-N	417.509	5.279	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)NCc2ccccc2)CC1	475585466	RNRJFQJAZJGYNF-UHFFFAOYSA-N	419.569	5.099	30	20	HKED	
N#Cc1ccc(CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)cc1F	478514748	FVVINWNNEGVOAF-UHFFFAOYSA-N	411.458	5.506	30	20	HKED	
Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	479628061	IMAXZYRFWZVAGM-GDLZYMKVSA-N	420.559	5.149	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)cc1	479666996	ZIRGXOYGDBCBQP-QFIPXVFZSA-N	418.493	5.062	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCc4ccccc43)cc2F)c1	481599544	RYSZLTDAQUTCHB-QFIPXVFZSA-N	401.441	5.085	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1Cl	483205437	SZLJTYKWXJHDJY-HXUWFJFHSA-N	423.859	6.042	30	20	HKED	
CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](CCCC#N)c3ccccc3)n2)cc1	487591234	GPKXZHCNZCGDFC-JOCHJYFZSA-N	416.525	5.344	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1	487895787	KREGGWPDSRARKN-LLVKDONJSA-N	415.316	5.155	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl)c1ccccc1	488990593	WKDWFKCIJVNPGK-OAQYLSRUSA-N	418.924	5.915	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(-c4ccccc4)no3)o2)cc1	489816278	ZLKOZKQPCJJZLV-CQSZACIVSA-N	406.467	5.205	30	20	HKED	
C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1	491198236	ZMIPCYOCYGTOCK-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
CCc1sc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1Br	497368737	WJMNKIUBWRDMGM-NSHDSACASA-N	418.341	5.082	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1	500299498	TXOZFDQUROPWEA-RTWAWAEBSA-N	411.343	5.109	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@H](C)C#N	503153699	UANGYJSMQWEUPO-CQSZACIVSA-N	415.540	5.601	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c1	504978031	YITANJPRRQJAIM-UHFFFAOYSA-N	411.355	5.093	30	20	HKED	
N#C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1c(Cl)cccc1Cl	505482425	YORNUTHXXMTGAB-SWLSCSKDSA-N	401.215	5.410	30	20	HKED	
Cc1[nH]nc(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)c1C#N	508745169	CEZPAVZHYXRUJM-UHFFFAOYSA-N	405.216	5.080	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1OC	509677162	XKDQKUBWDBCFNC-UHFFFAOYSA-N	414.571	5.034	30	20	HKED	
CN(C)Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)oc2ccccc12	510863464	AXAZMIRVODEXAI-UHFFFAOYSA-N	411.461	5.411	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3OCC3CC3)c2)cc1	512234088	KJTVFEBRYSRQGV-UHFFFAOYSA-N	412.489	5.373	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(F)c1	513171627	BVYZSWHNUNBEMB-UHFFFAOYSA-N	401.372	5.411	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)s2)n1	516258654	ATYDHEAKWGVLBE-UHFFFAOYSA-N	401.944	5.447	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	517345471	JNMKWDUBEVBUSF-QFIPXVFZSA-N	424.472	5.707	30	20	HKED	
C=CCN1CCC(NC(=O)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)CC1	518022275	DGLADAADUXAZCI-UHFFFAOYSA-N	415.578	5.125	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	518754524	PYIAXEKEZMFZRS-VGOFRKELSA-N	418.566	6.321	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	518849296	ZBFRBMYWWJZGMM-VYDXJSESSA-N	413.226	5.497	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21	520133320	CZVRJLUHFGVMBV-GOSISDBHSA-N	417.918	5.183	30	20	HKED	
COC(=O)c1sc2cccc(F)c2c1CNc1ccccc1SC[C@@H](C)C#N	520827550	LQYAXWHPXVBVCL-ZDUSSCGKSA-N	414.527	5.691	30	20	HKED	
N#Cc1nccnc1NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F	522622228	COTLVDZISMLTFC-UHFFFAOYSA-N	406.314	5.050	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(F)cc2C(F)(F)F)CC1	523633703	GDTNYDXSCDKYCA-UHFFFAOYSA-N	421.394	5.228	30	20	HKED	
CNC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	536387468	ZXKALINYVPMAPE-UHFFFAOYSA-N	420.856	5.008	30	20	HKED	
CSc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	538203956	VGTYDTIIUYEAMI-UHFFFAOYSA-N	417.534	6.006	30	20	HKED	
C=CCC[C@@H](NCc1nc(Cc2ccccc2)no1)c1ccc(C(F)(F)F)cc1	538232441	CNSDVICVXFYMRU-LJQANCHMSA-N	401.432	5.476	30	20	HKED	
N#CC1(CCCNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CCOCC1	538610606	HMYBCBJMUAZAEX-UHFFFAOYSA-N	421.419	5.063	30	20	HKED	
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	541705052	QDWNKMZTKABJIB-JTSKRJEESA-N	424.976	5.189	30	20	HKED	
C[C@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(-c2cccc(C#N)c2)cc1	542060560	HMTWUIUSVHEPBL-KRWDZBQOSA-N	409.489	5.065	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	542584758	LNFFVBMNJHDAPW-ZDUSSCGKSA-N	411.914	5.302	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(Cl)cc(F)c2Br)c1C#N	551128847	ULZQCANYSKLECM-UHFFFAOYSA-N	401.688	5.298	30	20	HKED	
FC(F)(F)c1ccc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc1	551389915	ORZSPCDTPBOCPO-CYBMUJFWSA-N	402.260	5.512	30	20	HKED	
COc1ccccc1[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1ccco1	552448619	QQPYOFZSJWZBLA-NRFANRHFSA-N	402.475	5.202	30	20	HKED	
CC[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1	556608179	GBLNOLHDGBLNFN-FGZHOGPDSA-N	402.460	5.786	30	20	HKED	
C=C(C)Cn1c(SCC(=O)c2cccc(Cl)c2Cl)nnc1-c1ccncc1	558768047	NKECUUPXBAHLMC-UHFFFAOYSA-N	419.337	5.198	30	20	HKED	
COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)c(Br)c1	559411299	PEDFVAPNBDKPLO-UHFFFAOYSA-N	407.267	5.249	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	559675845	BHPWVHBNQOJOPX-KRWDZBQOSA-N	419.506	5.262	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	562113782	IGMBVFWNCSRRRR-KOSHJBKYSA-N	424.504	5.426	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1cc(C#N)c2ccccc2n1	569885919	PFZXCONZWSQUBT-UHFFFAOYSA-N	423.259	5.629	30	20	HKED	
C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	578735647	VGBGWJDZNGSMMM-JOCHJYFZSA-N	401.558	5.089	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1Br)c1ccc(Br)cc1F	586788437	UTKPGVQFYZGWKP-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
N#Cc1cc(Cl)cc(Br)c1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	587989106	JDVOPNNYVPSZAG-IUCAKERBSA-N	421.566	5.151	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(F)cc1C(F)(F)F	590335124	OMFNETOHUKBGNF-JTQLQIEISA-N	408.317	6.088	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1	595739127	GWNDROFRLJAXLI-HXUWFJFHSA-N	417.553	5.333	30	20	HKED	
CN(CCCCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603829312	RIJWLTDZZSITAE-UHFFFAOYSA-N	400.482	5.232	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2)cc1	604690964	SMAFBBNSJYOSND-QHCPKHFHSA-N	403.441	5.176	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c(F)cccc1Cl	609062665	UUFJZDNRUBASNQ-UHFFFAOYSA-N	408.860	5.419	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(F)cc1	609378351	DLOKGPLAZVCGBH-CYBMUJFWSA-N	410.436	5.983	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	609438951	PIZRHFOTVKYXHO-PXNSSMCTSA-N	409.555	5.849	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(Cn4cccn4)c3)cc2)cc1	609499672	NDXJTPBSTXHIDN-UHFFFAOYSA-N	408.461	5.042	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1Oc1ccncc1	609663025	QGBIYELCDHTGLA-LJQANCHMSA-N	412.276	5.484	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3ncon3)cc2)c1	609724387	VMHAAOGHUIJTKY-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
CC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1F	610010249	DHXAWCQOZCYRIG-LJQANCHMSA-N	412.465	5.157	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1	611185093	VMRUPEHUZWFGDV-UHFFFAOYSA-N	421.375	5.473	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	644786783	QWBPWVNRBIMMCP-CYBMUJFWSA-N	410.367	5.917	30	20	HKED	
O=C(c1cc(Cl)c(F)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	645116582	GWMIGSYPQHKTOT-BQBZGAKWSA-N	412.132	5.335	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)c1cccc(COC2CCOCC2)c1	676035461	AYHDZRQTPIGWJO-UHFFFAOYSA-N	417.530	5.096	30	20	HKED	
CC(=NOCc1cc([N+](=O)[O-])ccc1OC(C)C)c1nc2ccccc2n1C(F)F	729673741	FDLUETXLJJUAHF-UHFFFAOYSA-N	418.400	5.068	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)CSCc1ccc(C#N)cc1	733070499	DKBAFAMPMXGMHM-INIZCTEOSA-N	408.548	5.528	30	20	HKED	
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNc1nccnc1Cl	733079608	OUYXLGKLEBWYBO-UHFFFAOYSA-N	422.851	5.002	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	733622728	YDXOUYPARCTKLN-QFIPXVFZSA-N	414.465	5.554	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1	733798372	TWSDLYYALYTIFJ-QFQXNSOFSA-N	423.516	5.563	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)SCc2cc(Cl)ccc2OCC#N)c1	735319757	AQVSDDDJHCUVAD-CYBMUJFWSA-N	406.960	5.225	30	20	HKED	
Cc1nc(C)c(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)s1	736426341	AMAQWTATDMMTFS-UHFFFAOYSA-N	414.943	5.042	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740483112	MMTVOTQNRMPLKP-UHFFFAOYSA-N	417.534	5.193	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl	741067907	HMXODCRKPBLNCO-MLGOLLRUSA-N	424.353	5.243	30	20	HKED	
O=C(O)CCOc1cccc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)c1	741842088	JWVDTAQWUKDTHX-WTKPLQERSA-N	410.413	5.091	30	20	HKED	
N#Cc1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1C#N	741943565	RXRAAWHDSZLXFL-UHFFFAOYSA-N	416.687	5.313	30	20	HKED	
O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccc(OCC(F)(F)F)cc1	743057083	PRPDDIGMMDTPAW-XCVCLJGOSA-N	400.356	5.106	30	20	HKED	
CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C12CCCC2	743094853	CTFUTOLGIZJIIZ-XPWALMASSA-N	403.526	5.201	30	20	HKED	
Cc1c(O)ccc2c(CNc3ccc(Oc4ccccc4C#N)c(F)c3)cc(=O)oc12	743488827	JOVRLQBQIAWSGM-UHFFFAOYSA-N	416.408	5.222	30	20	HKED	
CN(C)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1F	749249596	CYSNSTNLCKHSDG-UHFFFAOYSA-N	405.498	5.162	30	20	HKED	
N#CCCCS(=O)(=O)Oc1ccc(Sc2ccnc3cc(Cl)ccc23)cc1	749293665	CMOKXDIGIMMJSE-UHFFFAOYSA-N	418.927	5.052	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	750685979	ANJFNXRVMKDZAT-IFXJQAMLSA-N	410.926	5.842	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)c3cccc(OC)c3)n2)cc1	753395698	KKPXHTDWWJTGIL-MGPUTAFESA-N	406.507	5.197	30	20	HKED	
COc1cccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	753397760	XIUGYZJMPUNILT-FOIQADDNSA-N	401.491	5.060	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C\c1nc(-c2cc(Cl)ccc2Cl)cs1	753897311	RPPXCEHXMCULEJ-NVNXTCNLSA-N	424.378	5.619	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)c1	761147848	WQVUDYAHWSBVBL-UHFFFAOYSA-N	415.537	5.151	30	20	HKED	
CCOCCC1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCCC1	761617041	CGDUVFOTVGTDBI-HSZRJFAPSA-N	405.542	5.451	30	20	HKED	
CC(C)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F	762437346	HYWKQMCQWGVTNM-FQEVSTJZSA-N	417.440	5.306	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1ccccn1)c1cc(Br)ccc1F	763123249	ZJHOFTLUSCVBIU-DHZHZOJOSA-N	412.258	5.458	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN(CCC#N)Cc1ccco1	768155221	WDBYFOWERZHXRF-UHFFFAOYSA-N	403.313	5.056	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3c(F)cc(Br)cc32)c1	772985948	VJUSYPMRNPAABP-MGPUTAFESA-N	403.295	5.046	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F	774041859	BALYWBUXIZXYRT-INIZCTEOSA-N	408.807	5.141	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1)C(F)(F)F	774054270	RHRUSVGHGHOGOP-CQSZACIVSA-N	408.807	5.141	30	20	HKED	
CCCN(C(=O)c1ccccc1OCC#N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	776967013	SGYZJZVENRVHRW-XMMPIXPASA-N	417.484	5.073	30	20	HKED	
CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc21	777690106	HNVSKHGUUCTYBF-UHFFFAOYSA-N	411.889	5.004	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1F	789718423	GZJHMQFPFNAHMK-UHFFFAOYSA-N	403.519	5.112	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1	789718857	KHUPZMKZRXQUJF-UHFFFAOYSA-N	420.431	5.902	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2)c1	796743873	HCMSZYSWFOZJDX-OAHLLOKOSA-N	415.301	5.683	30	20	HKED	
Cc1sc2ncnc(SCC(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c2c1C	797571709	VDRFUCUGBULYMM-GFCCVEGCSA-N	416.597	5.031	30	20	HKED	
Cc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1C#N	799546614	DZNKMTBCIMYLMK-LLVKDONJSA-N	402.237	5.142	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c(C)cc(C)cc2O)cs1	799894904	IJJNDJXCHKREGM-YFHOEESVSA-N	406.507	5.355	30	20	HKED	
N#CC1(CCCOC(=O)c2cccn2-c2c(Cl)cccc2Cl)CCOCC1	800225906	SMWLRGZPKXNVLC-UHFFFAOYSA-N	407.297	5.041	30	20	HKED	
FC(F)(F)CCCCNC(=S)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	800826265	SDWONGQAZSWPHK-HNNXBMFYSA-N	416.406	5.183	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2ccc(Br)c(Cl)c2)s1	810823357	CUPOJYBGLUSFNU-LLVKDONJSA-N	411.752	5.275	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2)c1	813215627	ALPCEMORGCINLF-NRFANRHFSA-N	424.422	5.407	30	20	HKED	
COc1cc(-c2noc(C3(c4ccc(C#N)cc4)CCCC3)n2)cc(Cl)c1OC	904408144	WMUIQJKEOIUPDV-UHFFFAOYSA-N	409.873	5.139	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)cc1	915190660	IFZBTZNMLATCKW-KSAKKHMLSA-N	408.910	5.408	30	20	HKED	
CSCc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)oc2ccccc12	916916687	ZVXYJWAZZPJEQN-GOSISDBHSA-N	414.486	5.410	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	916928569	NZVLSRCTAKIUFZ-CJNGLKHVSA-N	419.308	5.233	30	20	HKED	
Cc1cc2occ(CC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2cc1C(C)C	917039565	AJZLGVOALRRIDN-SFHVURJKSA-N	421.447	6.028	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(CCC)Cc2ccc(C#N)cc2)c1=S	917457950	OOLLAHFLVADWSC-UHFFFAOYSA-N	421.545	5.148	30	20	HKED	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(C2CCCCC2)cc1	917505296	LNCKTAJGNUMIJD-HXUWFJFHSA-N	420.509	5.061	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	919844468	RNKHOUGIWBSNKH-UHFFFAOYSA-N	414.248	5.335	30	20	HKED	
CC(=O)Nc1cccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)c1	920073325	QSUJKCNLQZDVSP-UHFFFAOYSA-N	402.479	5.118	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc(CC(C)C)cc1	920105651	JTWNCVULJJMUNT-OAQYLSRUSA-N	414.505	5.230	30	20	HKED	
Cc1ccc2c(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)coc2c1	920805968	HOSGIYZKGXURSA-HNNXBMFYSA-N	408.429	5.562	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1	1786102437	NPJZEUAGWWNXAD-CCEZHUSRSA-N	404.510	5.195	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1	1791250369	QAJNEOGPRHFRDK-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1824140653	BQYSSNQYGWWCIB-KVACCUTFSA-N	420.597	5.088	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1	1831367038	DTCZAGGDPOPWBD-TUSQITKMSA-N	424.629	5.258	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)CC1	1832404529	NFWJGIKYXZZKRU-MVERNJQCSA-N	412.618	5.121	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C	36023113	ODEOIDMZBMKKPY-KWPCUBQOSA-N	405.523	5.098	30	20	HKED	
C=CCn1c(SCc2csc(Nc3ccccc3)n2)nc2sccc2c1=O	36725263	JOJMRTHPNLORSK-UHFFFAOYSA-N	412.565	5.136	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)c3cccnc23)nnc1-c1ccc(F)cc1	36844510	BYYGXWWKOITXKO-UHFFFAOYSA-N	410.905	5.764	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	45928589	GBDDMTLRZLLJDK-GOSISDBHSA-N	415.493	5.067	30	20	HKED	
COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1OC	47109846	JERGBMFLALDMEY-QGZVFWFLSA-N	400.478	5.042	30	20	HKED	
COc1ccc(OC)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	60722081	AYYDTTTWTRSZCI-HXUWFJFHSA-N	406.869	5.265	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1ccoc1C	72033932	ITKGDGSZDOXUSF-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cc(-c3cccs3)nc3ccccc23)nc2ccccc21	98072081	YWRVIGFKAWTCAB-KRWDZBQOSA-N	408.486	5.340	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	104670288	KAMRHCCUIBTHSE-UHFFFAOYSA-N	404.919	5.202	30	20	HKED	
CCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[C@H](C)c1ccc(C#N)cc1	302933020	GLNWOCUKCZQHEA-MRXNPFEDSA-N	418.518	5.281	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1-c1ccccc1	429022681	CHZAWCMFZOAEAE-UHFFFAOYSA-N	403.244	5.162	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	429116191	QDRCQTYRCMTLDM-NRFANRHFSA-N	408.933	5.789	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1	435602850	GBGYIAJEQOVGOT-NRFANRHFSA-N	418.497	5.355	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)n1	438118418	XRMZNMJCNIQCNN-SFTDATJTSA-N	402.523	5.422	30	20	HKED	
CCC[C@@]1(COC)CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	446112762	RBDDPFMTKSOCDR-VWLOTQADSA-N	421.541	5.259	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)CSCc1ccccc1	448372569	PEYNRQRRZVFSDA-SFHVURJKSA-N	417.534	5.562	30	20	HKED	
C[C@H](C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1cccc(C#N)c1	464270177	ZDHRKVOVCRXLPN-KRWDZBQOSA-N	423.438	5.305	30	20	HKED	
Cc1coc(-c2cccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)n1	468320856	QIPRAJOSRYAWGD-UHFFFAOYSA-N	416.481	5.033	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2C)CCOCC1	475583278	LOAUKPSKIQSSSH-UHFFFAOYSA-N	406.570	5.717	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	476150972	LVHPBXWWBZYTDV-UHFFFAOYSA-N	404.554	6.009	30	20	HKED	
COC(=O)c1cc(F)cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1F	478100996	LNDAKZXUESPWOC-UHFFFAOYSA-N	424.428	5.027	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1	482385011	MBYOKXBXTJDFOJ-UHFFFAOYSA-N	405.542	5.123	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c12	483218497	ZUWUDTYPVZIBKL-FQEVSTJZSA-N	404.429	5.237	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N(c2ccccc2)c2ncccc2Br)cc1	483792693	MVKFZVXDQUDVFS-UHFFFAOYSA-N	420.310	5.624	30	20	HKED	
COCCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CC[C@@H](C)C1	484183232	XHNXNVJBYINBJJ-AUSIDOKSSA-N	421.541	5.001	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	490763157	ZCADBVPBNXDYRP-UHFFFAOYSA-N	403.482	5.103	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCc3cccc(O)c32)c1	490885647	GJMUDUPDRILDHU-UHFFFAOYSA-N	404.853	5.303	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)cc2)n1	492040839	JIGRAUNXRRKENI-KRWDZBQOSA-N	413.296	5.496	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1	494696098	VRUANSZHLSYCQO-RUZDIDTESA-N	412.489	5.123	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](c2cccc(F)c2)c2ccccn2)c1	498363631	KUVKJHFCAWHHNK-MHZLTWQESA-N	423.491	5.551	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1OC	498737281	IDLRJYVVVVWIQK-QFIPXVFZSA-N	412.578	5.348	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2Cc3ccccc3O2)cc1Cl	503291215	ZTGCUJOBYMYEDZ-CTNGQTDRSA-N	417.896	5.121	30	20	HKED	
C[C@H](Sc1nnnn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	504549205	UFBYHVRUNUTCAV-LURJTMIESA-N	424.292	5.126	30	20	HKED	
Cc1nc(NC(=O)CSCc2ccc(Cl)cc2Cl)sc1SCC#N	504685278	SFPRJBCPTXSMGC-UHFFFAOYSA-N	418.396	5.246	30	20	HKED	
O=C(CCOCC(F)(F)C(F)F)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1	505164800	HWOHNPKAFKXKGT-AWEZNQCLSA-N	415.349	5.066	30	20	HKED	
CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1	507570823	UZGPBERIPVZQSR-UHFFFAOYSA-N	424.913	5.286	30	20	HKED	
N#Cc1c(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)sc2c1CCC2	508846820	AIKTVVFEMCKWJP-UHFFFAOYSA-N	419.453	5.503	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1F)C(C)C	509228817	XKCGZZIMLYEKGT-UHFFFAOYSA-N	417.484	6.241	30	20	HKED	
COc1cc(C)c(Br)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	511696194	UUHGBWWTDQBGCW-ZDUSSCGKSA-N	419.344	5.413	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1	512390050	XRNCTXGDVZSVHO-UHFFFAOYSA-N	413.502	5.202	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1	513027903	QSWKACOVZLSKJO-CQSZACIVSA-N	405.420	5.145	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)Nc2cccc(OCCCC#N)c2)cs1	515615014	LQPUKZUDOFBCII-UHFFFAOYSA-N	423.563	5.679	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1	515749184	LOESWSCGYNJOGT-HXUWFJFHSA-N	407.558	5.288	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	515757531	MZEUUSXFYOFELV-QGZVFWFLSA-N	419.912	5.538	30	20	HKED	
CC(C)Cn1ccc2cc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)ccc21	517131553	OQVFAZAYURLNDL-UHFFFAOYSA-N	416.525	5.244	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccccc2Cl)n1	518240280	VHQYSATWEVNEKZ-ZDUSSCGKSA-N	413.955	6.110	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	520325971	FEGQEHRXWJRAEP-INIZCTEOSA-N	406.432	5.656	30	20	HKED	
C[C@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OC(F)(F)F)cc1	520472880	UYXYRMLLNJSKHX-NSHDSACASA-N	414.836	5.543	30	20	HKED	
N#C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C1CCCCC1	522332394	PJZKTEPCWXLDMY-UWJYYQICSA-N	421.570	5.170	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1	522633125	CMNNXRRWHYEBAB-LJQANCHMSA-N	406.873	5.094	30	20	HKED	
C[C@H](Nc1nc(CN(C)C)nc2scc(-c3ccccc3)c12)c1ccc(C#N)cc1	522742546	PMZLXVXMAXRNIS-INIZCTEOSA-N	413.550	5.465	30	20	HKED	
N#Cc1ccc(NCc2ccc(N3CCc4ccccc4C3)nc2)c(C(F)(F)F)c1	523112344	YCPMPKVDRASCNN-UHFFFAOYSA-N	408.427	5.147	30	20	HKED	
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523621209	NAAINAQGUQVURC-AVRWGWEMSA-N	411.505	5.387	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c2ccccc2n1	524459737	SGPRQBLNQZTSKJ-UHFFFAOYSA-N	411.436	5.385	30	20	HKED	
C[C@@H](NC(=O)c1ncsc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	527173741	XXGLIAKWQVEBQZ-GFCCVEGCSA-N	401.413	5.192	30	20	HKED	
N#CC1(NC(=O)c2oc3ccccc3c2CSc2cccs2)CCSCC1	534585222	PDAZNBWMTRFEGD-UHFFFAOYSA-N	414.577	5.306	30	20	HKED	
CC[C@H](CSC)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	536913348	BPRSVKFJEUWWIW-MJGOQNOKSA-N	401.963	5.601	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)cc1	538522545	ALEBSSVEMSJPRP-UHFFFAOYSA-N	412.489	5.475	30	20	HKED	
C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CC(=O)Nc1ccccc1S[C@H](C)CC#N	538787817	SSYGBONKRKLCSU-BBWFWOEESA-N	411.546	5.166	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1	539933285	MFGXUNRHWAQJEW-UHFFFAOYSA-N	401.554	5.058	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccncc1CC	540310466	HFZYVGHCLNDVAL-CQSZACIVSA-N	420.326	5.004	30	20	HKED	
COc1cc(CNC(C)(C)c2cccc(F)c2)ccc1OCc1cccc(C#N)c1	540412004	XQNCAOPOLSOKAS-UHFFFAOYSA-N	404.485	5.310	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCCCC[C@H]1/C=C/c1cccs1	542132050	HGDBHKKTKQLXDS-DXRVJIQQSA-N	411.596	5.260	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)n1	542347496	CHOCWYAJSNLULD-UHFFFAOYSA-N	420.563	5.671	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	545378057	FFJVQDNYZIYMIN-LJQANCHMSA-N	419.308	5.126	30	20	HKED	
Cc1cccc(-c2cnc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)s2)c1	554106641	OZCDCGUOTDLFSX-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	554876382	MPRWCMJSJNNPOZ-AYWYSENESA-N	405.567	5.881	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC=C(c3ccncc3)C2)c1	560808210	CZXCTHLHEFVEMH-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
C=CCOc1ccc(CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1	562097034	BQKZCDGJCMHDKU-UHFFFAOYSA-N	416.481	5.217	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(C)nc3C3CCCCC3)n2)cc1	588737804	KXUVGJHCYPGMDN-GOSISDBHSA-N	420.538	5.090	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1nc2cc(F)ccc2s1	592973234	AYDFJVAXBMZSJB-SFHVURJKSA-N	406.413	5.857	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc2cc(F)ccc2s1	592974784	ZHMGJSJCOCEVJN-LBPRGKRZSA-N	415.243	5.434	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603689379	JXKZKZOAAIMCOM-UHFFFAOYSA-N	411.465	5.061	30	20	HKED	
CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	604142938	ACLPWOZGESQWKC-QGCDCVKKSA-N	423.944	5.019	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1ccc2ccccc2n1	607274578	KQCQGLZEMCGULZ-QFIPXVFZSA-N	417.443	6.079	30	20	HKED	
CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SC[C@H](C#N)CCC#N)o3)cc2C1	608861736	OURQYBNCHKDIMU-DZGCQCFKSA-N	400.573	5.485	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1	609046672	IQIFRVVLJIQUKF-HXUWFJFHSA-N	417.469	5.130	30	20	HKED	
Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609515882	PUDMLWUWPPZEFO-UHFFFAOYSA-N	410.433	5.156	30	20	HKED	
Cc1cc(Br)ccc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	609555909	LBNQWLDPFWWIJO-AWEZNQCLSA-N	418.360	5.474	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccccc3CC2)cc1Cl	609711829	VXJUQCSSFQCJPO-HSZRJFAPSA-N	415.924	5.628	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c1	609712503	SJQCJUXQBDTYEL-MRXNPFEDSA-N	423.872	5.135	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Br)cc1	609773082	VJOPNPNLCDZRTO-AWEZNQCLSA-N	418.360	5.208	30	20	HKED	
N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)n1	609789618	AWINCUYZZNMKEK-ZPHPHTNESA-N	419.488	5.084	30	20	HKED	
C[C@@H]1SCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1c1ccccc1	609819721	PCLIJJKDSTUTTA-GAJHUEQPSA-N	415.518	5.064	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1	609845451	QVHBOUAAYYIAIQ-KRWDZBQOSA-N	405.527	5.038	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(C#N)c(C#N)c3)cc12	610231669	YNMVYKCVDHXUEO-UHFFFAOYSA-N	417.881	5.044	30	20	HKED	
N#C[C@H](C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc2cc(Cl)ccc2s1	613407286	OWOVBHPDRUNFNQ-MRXNPFEDSA-N	418.909	5.503	30	20	HKED	
CCCc1c(NC(=O)c2oc3c(F)cccc3c2C)cnn1-c1cccc(C#N)c1	615291660	DOXDXYPLCMSPHU-UHFFFAOYSA-N	402.429	5.143	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	618758406	DMSFZWZIBCSJHK-FQEVSTJZSA-N	404.857	5.208	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1	618800382	FULPUPYOYZBEFH-FPOVZHCZSA-N	407.926	5.349	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2cn(Cc3ccccc3)c3ccccc23)CC1	619726159	HSFXTWCDTSKQBD-UHFFFAOYSA-N	406.533	5.142	30	20	HKED	
C[C@H](CC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)c1cccc(C(F)(F)F)c1	622566525	PYIKPEZSGIFYRT-QGHHPUGFSA-N	407.329	5.600	30	20	HKED	
CSc1ncc(Cl)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1	642281716	CXMJBUNYUINTQT-NSHDSACASA-N	421.334	5.119	30	20	HKED	
CSc1c(F)cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	680240025	VDCNBIAGTVCTLX-HTQZYQBOSA-N	422.341	5.281	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1nc2cc(F)ccc2s1	682004255	XKSFHCAEORSINV-ZDUSSCGKSA-N	402.410	5.062	30	20	HKED	
C=C[C@](C)(CC)C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	682379845	FXAQDUDWUJMOMP-RCZVLFRGSA-N	411.590	5.304	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cnc2ccccc2n1	682993934	CSBXPLYIAXKAFH-ZDUSSCGKSA-N	406.417	5.181	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)c1	728481551	LGMZIZSRIKZSIU-UHFFFAOYSA-N	413.864	5.315	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Cc1ccc(OCC#N)cc1	731981060	XSKUGPNVFLYEDY-UHFFFAOYSA-N	422.525	5.436	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCC2	732418312	PWQAIYIDWKPPOU-RBBKRZOGSA-N	416.550	5.648	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1Br	733266275	GNAQWDWDEBEIAP-MRXNPFEDSA-N	412.114	5.070	30	20	HKED	
C#CC[C@H](OC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccccn1	733693147	VEMXVYZUYQZKJP-QHCPKHFHSA-N	405.881	5.164	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COC3CCCCC3)c2)c1	733844118	FARJAXINGRPNMV-QFIPXVFZSA-N	421.541	5.539	30	20	HKED	
Cn1nc(-c2ccccc2)c(C=NNc2ncc(C(F)(F)F)cc2Cl)c1Cl	734743800	LLXDNSSNXSRUPX-UHFFFAOYSA-N	414.218	5.254	30	20	HKED	
COc1ccc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1F	734994079	KONQYXVWJYEMHT-UHFFFAOYSA-N	424.859	5.424	30	20	HKED	
CCOc1c(OC)cc(/C=C/C(=O)c2ccc(SCC(F)F)cc2)cc1OC	741844369	UCYMUBBVWKZDIM-BJMVGYQFSA-N	408.466	5.356	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Oc1cccc(F)c1	743093396	TWABPEPUOROJHO-HXOBKFHXSA-N	403.457	5.070	30	20	HKED	
Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	743093407	UDQFLXAJKOIPEO-VWLOTQADSA-N	411.549	6.092	30	20	HKED	
C[C@@H](Oc1cccc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)c1)C(=O)O	745022345	ZXOGINMUSKJTOZ-ASCRHOAZSA-N	413.882	5.212	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1ccc2c(c1)OC(F)(F)O2	745724277	OEJGNWRXDPOOJD-UHFFFAOYSA-N	423.444	5.283	30	20	HKED	
O=C(/C(=C/c1cnn(-c2ccccc2)c1)c1nc2ccccc2s1)c1ccccc1	747003999	WBNZRHXBGNEJAY-QNGOZBTKSA-N	407.498	5.906	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc1C#N	752297129	JPNKVNPEPNHSKW-IFXJQAMLSA-N	422.485	5.040	30	20	HKED	
O=C1/C(=C\c2ccc(O)c(F)c2)CC2(CCOCC2)C/C1=C\c1ccc(O)c(F)c1	755599950	WWLYICQBRKXHDW-BUOZRGFLSA-N	412.432	5.003	30	20	HKED	
C=CCNC(=O)c1cccc(-c2noc(-c3ccc(C4SCCCS4)cc3)n2)c1	761847797	OPEPYTINKRWGER-UHFFFAOYSA-N	423.563	5.188	30	20	HKED	
Cc1nc([C@H](C)ON=Cc2c(C)nc3sccn23)oc1-c1ccc(Cl)cc1	763186279	IDYSINLOVVCJSZ-ZDUSSCGKSA-N	400.891	5.433	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1	766840856	KNDDCOCHQKQRMY-FCRVUTKVSA-N	414.427	5.068	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2nnc(-c3ccccc3Cl)o2)cc1OC	768512175	OJAFMFPUBHYKEA-UHFFFAOYSA-N	422.268	5.001	30	20	HKED	
CCCCCCCCOCc1cccc(NC(=O)N2CCCC23CCN(C)CC3)c1	768877610	IFBRWACRVKGMPH-UHFFFAOYSA-N	415.622	5.656	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)c1	776516823	NZNPQSCQVBRLTE-FQEVSTJZSA-N	402.450	5.040	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2	776907045	BUUUQTNHSSZPMK-UHFFFAOYSA-N	407.489	5.114	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1	777639918	NYQAAVAAPYWPAL-OAQYLSRUSA-N	410.473	5.176	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1cnc2ccccc2n1	792108911	DIYHYJGRRVFKGN-YPMHNXCESA-N	402.306	5.294	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1cnc2ccccc2n1	792113423	HWFQWAUUDZHUAY-CQSZACIVSA-N	402.306	5.046	30	20	HKED	
CCNc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	793130612	RNFXRRQEOXKEBD-KRWDZBQOSA-N	406.898	5.257	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccnn1C(C)C)C(=O)c1ccccc1	794939845	USRYDVZBYYMNGK-QJOMJCCJSA-N	415.537	5.494	30	20	HKED	
Cc1c(C(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)sc2ccc(C#N)cc12	796615014	MFKOIKMNJUFREW-GFCCVEGCSA-N	407.426	5.189	30	20	HKED	
CC(C)c1ccccc1N(C(=O)/C=C\c1ccccc1C#N)c1nc2ccccc2s1	799709411	USXIOJLIXWEJMZ-NXVVXOECSA-N	423.541	6.669	30	20	HKED	
CCc1ccc2occ(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2c1	803818664	AHRGKILFRJQUIK-HNNXBMFYSA-N	422.506	5.185	30	20	HKED	
O=C(Nc1cccc(/C=C/C(=O)c2c(F)cccc2Cl)c1)c1ccccc1Cl	809159116	IMGJOFHDELMGSX-VAWYXSNFSA-N	414.263	6.281	30	20	HKED	
CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2C(=O)CCC2=O)cc1	814212281	MAPNJYKTUWEYDV-UHFFFAOYSA-N	410.688	5.136	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(COCc3ccccc3)cc2)c1	864012599	CEIKBARSMJZDDR-UHFFFAOYSA-N	407.311	5.650	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)COc1ccc2oc3ccccc3c2c1	896656161	APDXBTRVYJIIFX-UHFFFAOYSA-N	407.809	5.104	30	20	HKED	
CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@@H](C)c1ccc(C#N)cc1	914509566	QJTBNGQZQVWWBW-SFHVURJKSA-N	406.489	5.392	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2cc(C)nc(C)n2)cc1	915103459	WIZFLHJUEIMFLY-JOCHJYFZSA-N	424.504	5.059	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1	915200019	RMVCZVSMJKONTF-QHCPKHFHSA-N	414.465	5.081	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C\c1ccc(Br)o1	915859983	AKLVYHYRLUYDGB-TWGQIWQCSA-N	424.254	5.061	30	20	HKED	
CCC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H](C)CC#N)CC1	1513636681	CGWWYFQFPHGZPE-JKSUJKDBSA-N	401.942	5.000	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CC3)cc2)CCC1	1789196828	VETBKEZRBLPQKJ-SFHVURJKSA-N	420.475	5.231	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(F)(F)CC=C)cc2)CCC1	1791298590	FGUPDVRALGEIRM-LJQANCHMSA-N	402.485	5.100	30	20	HKED	
C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CC3CCC(C)(C)CC3)CCC2)cc1	1791577722	RIYKVWMHZWELME-INIZCTEOSA-N	402.604	5.045	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1824139915	SLTXZSDDGKYXHT-HXUWFJFHSA-N	424.576	5.056	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(-c3cccc(Cl)c3)no2)n1	10399449	QZKOAGUTPWSGSH-UHFFFAOYSA-N	410.808	5.276	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccccc1F	11171156	AUCIHTZMMBYIPX-UHFFFAOYSA-O	421.561	5.850	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(F)cc1	11394010	DQPUJUQKRUOHKN-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccc(Cl)c1	14069073	HXRKFBQKJYPMLK-UHFFFAOYSA-N	419.337	5.169	30	20	HKED	
O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1F	14662648	OGTPQWDXQXCAAQ-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
CCCc1ccc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2cccs2)cc1	24084661	CAYAEZJPMPIVIP-RUZDIDTESA-N	403.595	5.930	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)c1ccc(C#N)cc1	33180196	OSGPWCFWFLQSRJ-LLVKDONJSA-N	400.265	5.320	30	20	HKED	
CN(Cc1cccc(O)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	47565921	KKCVYFNFSFLVDR-OAQYLSRUSA-N	405.885	5.365	30	20	HKED	
C=CCOc1cccc(N[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1	62238468	SSBOHDHLOBEUPP-XMMPIXPASA-N	402.494	5.360	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1	195557055	MLPWYTBXWPFEQE-KRWDZBQOSA-N	403.894	5.810	30	20	HKED	
CC(C)(C)c1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	195662560	IXRLUYWBOUBKMN-SFHVURJKSA-N	407.564	5.471	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	195662632	NFUAILKWSZOZJL-FZMZJTMJSA-N	418.305	5.156	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430604973	RUIPDRSVHAERIQ-LLVKDONJSA-N	417.893	5.687	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1	433811012	NAQOCTPXHDEWJT-UGKGYDQZSA-N	402.523	5.422	30	20	HKED	
CCn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)n1	436076055	IXLXRELDPPTJRO-UHFFFAOYSA-N	419.247	5.212	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(N(C)C)nc2ccccc12	438042419	GDPDVXCXZLDVJF-MRXNPFEDSA-N	419.554	5.017	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	438699058	IVFQGJPMRORVHJ-UHFFFAOYSA-N	406.505	5.938	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)c1ccccc1	438842680	QGVSPEHRUYVHIQ-UXHICEINSA-N	418.324	5.121	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1	438852461	BCDOGJLZGNSBPY-QFIPXVFZSA-N	400.526	5.410	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1C	440481771	BVNURWVRHKSSNA-SNVBAGLBSA-N	409.374	5.774	30	20	HKED	
Cc1nc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)sc1SCC#N	442015850	OEEIPGZNJRAMGH-UHFFFAOYSA-N	423.350	5.621	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1	442286893	VUJKRMZUWSLBFO-SFTDATJTSA-N	423.523	5.373	30	20	HKED	
C[C@H](Sc1nnc(S[C@@H](C)c2cccc(C#N)c2)s1)c1cccc(C#N)c1	442909768	UIAAPUPAUQKXAR-KBPBESRZSA-N	408.577	5.988	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Br)s1	443723662	KGAMDUMLHVIKOJ-CYBMUJFWSA-N	406.349	5.063	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H]3Cc3ccccc3)c2)cc1	443831089	SZLQITCWEIOZFN-DEOSSOPVSA-N	411.505	5.181	30	20	HKED	
CC1CCN(C2CCC(NC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)CC1	443935414	HSIOXFXCEVWWRP-XEVCZEQESA-N	414.619	5.103	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1	444906700	NKEYRHYXWYLYBM-OXJNMPFZSA-N	413.974	6.493	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)n1	446117792	JPJRMQYDUPOHIQ-KRWDZBQOSA-N	418.522	5.102	30	20	HKED	
CC(=O)N(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1	447128307	JUQOFKUCHGSDPW-INIZCTEOSA-N	409.555	5.006	30	20	HKED	
COc1cccc(-c2nnc(SCc3ccc(C#N)c(C)c3)n2Cc2ccco2)c1	447286815	LGYGFRGZXUUIRH-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)c1cccc(Br)c1	462059785	OFEJQWBVJRLLQI-ZIAGYGMSSA-N	403.345	5.586	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccccc1F	463932131	KGBXXLCFGPRBSD-QGZVFWFLSA-N	420.509	5.187	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	464172811	YUDJXTWOBGNQGY-LJQANCHMSA-N	414.505	5.257	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nnc(-c2c(Cl)cccc2Cl)o1	464821013	GECLFRJXGXXWMA-YJBOKZPZSA-N	413.308	5.315	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	464944862	YSEWSEVFFZKFAE-VQTJNVASSA-N	405.498	5.170	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N(Cc2cccc3ccccc23)C2CCCC2)CC1	465863824	SDKOBJTVWFSFML-UHFFFAOYSA-N	405.586	5.335	30	20	HKED	
C[C@@H](CCc1cccn1C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	466131658	RKERLCQZIBAXTP-JTSKRJEESA-N	420.944	5.477	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1	470757548	SSNNTOZYKQSJSZ-IBGZPJMESA-N	408.486	5.156	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(COCC(F)(F)F)c1	472118567	VPUQKJCSOSOEML-UHFFFAOYSA-N	406.448	5.053	30	20	HKED	
O=C(COc1ccccc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474275951	QHNKVCNIQAQRNX-CQSZACIVSA-N	409.301	5.033	30	20	HKED	
Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	475087720	KZSGGLDUFRVUDH-UHFFFAOYSA-N	408.461	5.291	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1cc(OC)c(OC)cc1F	475556681	WLBROCYXWOLFQA-OAHLLOKOSA-N	400.494	5.578	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)ccn1	475587785	KPNMRZZADRSKPL-UHFFFAOYSA-N	418.815	5.339	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	476116693	DFLBRCPSEIRJGV-FQEVSTJZSA-N	424.972	5.683	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1	476122948	TWCNNPGQKLDDDX-UHFFFAOYSA-N	420.534	5.686	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)Cc1ccc(SC)c(OC)c1)c1ccc(F)c(F)c1	477739725	FEYNKOXZUXYNOL-FQEVSTJZSA-N	406.498	5.154	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	482921056	RUTNZBSHWLZLAZ-QGZVFWFLSA-N	401.466	5.151	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nccc3ccccc23)c1C(F)(F)F	483232927	SWLWXOMZMYWDJY-QGZVFWFLSA-N	420.394	5.238	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nccc2ccccc12	483234337	VMQHESWUGZOPAA-INIZCTEOSA-N	411.511	6.063	30	20	HKED	
CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)Cc1ccccc1C(F)(F)F	483418574	OHMVUVOQROXNLZ-OAHLLOKOSA-N	414.431	5.080	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	483484502	CNVQKCIMHQVELE-UHFFFAOYSA-N	422.495	5.914	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(F)ccc3-c3ccoc3)n2)cc1	483512150	HTYHYTKGXJMLSS-HXUWFJFHSA-N	418.449	5.708	30	20	HKED	
CC(=O)c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)nc1C	485752062	RIKXKQDSUOLYEX-JOCHJYFZSA-N	417.896	5.462	30	20	HKED	
CC(C)(C#N)c1ccccc1CNc1ccccc1CS(=O)(=O)c1ccccc1	486441025	YCBAFLOZAPEVIJ-UHFFFAOYSA-N	404.535	5.074	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccc(Oc2ccc(F)cc2)nc1	488210166	PBQGJQWJRIPJOH-UHFFFAOYSA-N	406.367	5.323	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1NC(=O)c1ccccc1F	494609625	RHOJPRLDBVNCCU-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc1	499257128	TUQNQZIUQAWQDV-UHFFFAOYSA-N	411.486	5.630	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1c(Cl)cccc1Cl	499812369	NHOWVFFWYRUIEF-IOASZLSFSA-N	424.125	5.240	30	20	HKED	
C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	502232497	LKBWOCCEIMVQRA-NRFANRHFSA-N	417.431	5.085	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(Br)cc1	503568528	IEUHEHZOPNIFPW-INIZCTEOSA-N	419.367	5.075	30	20	HKED	
Cc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	504877101	RSYZZRGYTXNTMU-JOCHJYFZSA-N	412.558	5.789	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(Cl)cc1	505837350	HRKHUICJZLQFRZ-KRWDZBQOSA-N	402.306	5.040	30	20	HKED	
C[C@@H](SCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	505923095	PSLXEMYWZCTPJF-PIGZYNQJSA-N	419.337	5.045	30	20	HKED	
Cc1cccc(C2(NCC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCC2)c1	506451053	AIVKGQQQLCDLFD-LJQANCHMSA-N	407.583	5.387	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc(C#N)ccc1Cl	506464239	AGXWIIAEZKQZBN-UHFFFAOYSA-N	404.857	5.416	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2F)cc1	508260566	SLAOBDJWZUFZTL-MRXNPFEDSA-N	419.456	5.723	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCC2)cc1	508602638	DWFJBUYDSBWZEQ-UHFFFAOYSA-N	412.489	5.728	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)CCCCc1ccc(Cl)c(Cl)c1	510543633	CALCDXRPICELSX-UHFFFAOYSA-N	406.313	5.422	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	511381841	JTGQGHZCMLJZEU-QGZVFWFLSA-N	411.889	5.282	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccccc1Cl	512913045	SIYWPUYZYAZVRX-MRXNPFEDSA-N	405.885	5.752	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	513680079	KNTIGALBRRZEQY-QPPBQGQZSA-N	408.517	5.067	30	20	HKED	
CCn1c([C@H]2CCCN2C(=O)Nc2cc(C#N)ccc2OC(C)C)nc2ccccc21	513860961	DQJZGHDHYFPSMO-OAQYLSRUSA-N	417.513	5.084	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](NC2(c4cccc(C#N)c4)CC2)CCC3)cc1	515814714	QLSXZDDVBZKUNK-NRFANRHFSA-N	401.535	5.347	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1	516713657	FCDRFZRPCCTCAE-JOCHJYFZSA-N	421.481	5.964	30	20	HKED	
COc1ccc(C)cc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N	517461369	WMLZQMAWNSKNCW-INIZCTEOSA-N	400.569	5.270	30	20	HKED	
COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3SC[C@H](C)C#N)o2)cc1	518662985	WTAPTWIZZGZYAP-MRXNPFEDSA-N	421.522	5.173	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C	521441012	VMOJCHSLPMXUBL-FQEVSTJZSA-N	405.542	5.230	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	532688846	YYFATYMDNMCYEI-QGZVFWFLSA-N	407.461	5.194	30	20	HKED	
N#CCCCOc1cccc(NCc2cccc(Br)c2OC(F)F)c1	532768040	FPRWRIUAWBBKOA-UHFFFAOYSA-N	411.246	5.345	30	20	HKED	
CC(C)CN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(C#N)cc1	533497822	AGFSRQXCNZIDKB-SFHVURJKSA-N	406.555	5.054	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC12CCC2	538947901	IELMBVAEDQNIKC-LJQANCHMSA-N	403.526	5.376	30	20	HKED	
N#Cc1ccsc1NC(=O)CN[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21	539333143	WERZJXBWMVWTLP-GGAORHGYSA-N	401.535	5.009	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c3ccccc3n2)cc1	540947360	QSQXORFHPDMLNO-FQEVSTJZSA-N	418.456	5.277	30	20	HKED	
CCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H](C)c1cc2ccccc2o1	541099468	WFJVBXYKVXHOPO-HNNXBMFYSA-N	417.444	5.244	30	20	HKED	
CC(C)C(=O)Nc1ccc(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1	543861145	DFBPQZVJYBEIPN-UHFFFAOYSA-N	406.429	5.147	30	20	HKED	
CC(C)(C)c1nc(Cc2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)cs1	545097856	PJYXSVDRCDCLBR-KTKRTIGZSA-N	417.538	5.453	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(C#N)cc1	548513578	SYNGFYQVJFDENB-BDJLRTHQSA-N	415.337	5.241	30	20	HKED	
CC(C)(C)c1nc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2s1	551156268	SQWHYEQPUIQQQE-UHFFFAOYSA-N	404.417	5.132	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1csc(-c2cccc(C)c2)n1	553117361	AWDSHYLAFUUCJV-UHFFFAOYSA-N	408.571	5.043	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1nc2cc(Cl)ccc2n1Cc1ccccc1	558742393	NHLYNSHFUKSDKP-MSOLQXFVSA-N	414.940	6.021	30	20	HKED	
C=CCn1c(-c2sccc2C)nnc1N1CCC[C@H]1c1nc2ccccc2s1	562024976	SWJGVOBSDWSDKW-INIZCTEOSA-N	407.568	5.452	30	20	HKED	
Cc1noc([C@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	562121404	JFPHAJAAOGPMCA-OAQYLSRUSA-N	417.469	5.110	30	20	HKED	
COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cn(CCC#N)nc2-c2ccccc2)c1	572022195	PJXKYYODWKDILM-DVECYGJZSA-N	400.526	5.055	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	577236955	BEBMCDFTJCGYOX-PMACEKPBSA-N	422.550	5.036	30	20	HKED	
CCc1ccccc1N(C(C)=O)c1nc(CSc2cccc(F)c2C#N)cs1	578949820	RMMRWHILQTUZKN-UHFFFAOYSA-N	411.527	5.693	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	583718917	LAARDDMXFYTBFN-HDICACEKSA-N	402.416	5.544	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Br)c1cccc(C#N)c1	588298908	YVBPGEIFNNJTME-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
COCC[C@@](C)(C#N)NC(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	589039099	XOXGWMVRVUXHSN-FQEVSTJZSA-N	423.365	5.334	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C(=O)c1ccc(Cl)cc1	589043424	HRNHKLUGXNKBFA-UHFFFAOYSA-N	406.844	5.075	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1	590237255	MNROHJMEZIKQSO-UHFFFAOYSA-N	410.882	5.307	30	20	HKED	
N#CCCN(C(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1cccc(Cl)c1	590925943	OEADBPWCMDUMGZ-IBGZPJMESA-N	424.957	5.033	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)s2)o1	603764939	PPLLIGJFCMEIJT-UHFFFAOYSA-N	416.462	5.331	30	20	HKED	
N#C[C@@H](Cc1ccccc1)Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1	604086412	IPZKQXBZAYWYBE-OAHLLOKOSA-N	422.457	5.407	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc2ccccc2n1C(F)F	606144883	FPTJDDYAHWGYIS-CQSZACIVSA-N	410.405	5.170	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC1(CC(=O)O)CCCCC1	609076038	DPAQFRMMDQADAB-UHFFFAOYSA-N	420.509	5.200	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(C)s2)cc1	609078204	GPKBFOVVWZUNCK-UHFFFAOYSA-N	407.495	5.393	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(F)cc1	609078341	JSURUQHNWXUNFF-SFHVURJKSA-N	417.484	5.810	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1	609079373	ZVAYNCVIRNJHSR-GOSISDBHSA-N	410.477	5.200	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1	609125448	PSPJIVOYNVRJOZ-INIZCTEOSA-N	423.582	5.259	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc2ccccc21	609170382	PQDSTMFKOBHILJ-UHFFFAOYSA-N	402.841	5.258	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCOc3ccccc3C2)c1	609730259	WSUCOKIFEZJQKV-UHFFFAOYSA-N	404.853	5.039	30	20	HKED	
C[C@H]1SCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1c1ccccc1	609819722	PCLIJJKDSTUTTA-HXOBKFHXSA-N	415.518	5.064	30	20	HKED	
COC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F	610880637	BNAHDZIWUIOBHK-IBGZPJMESA-N	422.843	5.173	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C[C@@H]4CCOC4)C3)cc2)cc1	611357603	NCUZUCUUTRHFAR-PMACEKPBSA-N	405.498	5.021	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1cccc(C#N)c1	613450231	ZKPABOBXJFDJJO-ORAYPTAESA-N	416.294	5.068	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccc21	618184989	HDDQAUVLSHVBSE-UHFFFAOYSA-N	421.460	5.256	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1Cl	619746883	QFLVCFKNLWJBGP-NRFANRHFSA-N	400.869	5.141	30	20	HKED	
C=CCn1c(SCC(=O)C2CCCCC2)nnc1-c1ccc(Br)cc1	648302822	PWKFKVFJDYAMLJ-UHFFFAOYSA-N	420.376	5.135	30	20	HKED	
N#C[C@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc2cc(Cl)ccc2s1	727038934	QKUHAIHTXPDOQN-UTKZUKDTSA-N	410.926	5.826	30	20	HKED	
O=C1/C(=C\c2cnc(N3CCCC3)nc2)CCc2nc(-c3ccc(Cl)cc3)sc21	728438588	ICMZKVBCYVKJDM-WJDWOHSUSA-N	422.941	5.066	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCc1nc2cc(Cl)ccc2s1	730685020	FTYBRBHOFHFFPP-HNNXBMFYSA-N	421.909	5.264	30	20	HKED	
CCCCN(Cc1ccccc1Cl)C(=O)NCc1cccc(O[C@@H](C#N)CC)c1	733804853	JZGADOAEHMSMJE-HXUWFJFHSA-N	413.949	5.533	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)s1	740011163	JTYWZWOHLYIXBY-UHFFFAOYSA-N	415.474	5.745	30	20	HKED	
COc1ccc(CCNC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	743038410	ZCKLQGODSGBSEB-UHFFFAOYSA-N	421.497	5.027	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCNc2ccc3ccccc3n2)cc1	743092756	CMFZEJCKSFLGQN-HSZRJFAPSA-N	421.504	5.124	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)c3cc(-c4ccccc4)ccc3Cl)o2)cc1	745007114	NTKLBAAXRVMYLT-UHFFFAOYSA-N	415.836	5.286	30	20	HKED	
Cc1cc(C2=NNC(=Nc3cccc(Cl)c3)SC2)c(C)n1CC(F)(F)F	749992180	WKNHUHUHUQANSR-UHFFFAOYSA-N	400.857	5.049	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1	762214128	LWIMFDGFUGTVHR-CLJLJLNGSA-N	424.548	5.080	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](O)c1ccc2ccccc2c1	762280733	IOFUFLNILOBRBA-HSZRJFAPSA-N	424.525	5.326	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc(F)c(F)c3C2)cc1	768970866	RSCKJHOJESVKGB-HXUWFJFHSA-N	403.432	5.210	30	20	HKED	
C=CCC[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1	778613819	JNALSQZPMZRNES-NHCUHLMSSA-N	402.519	5.745	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl	780166215	VAEJFCPIKQRECL-OAHLLOKOSA-N	422.916	5.502	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)nn1-c1cccc(C#N)c1	780474148	FXFXHZCGPDAKFU-OAQYLSRUSA-N	424.426	5.049	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(Cl)c1SCC(F)F	780581998	XLXQBRHKKWQCBI-NSHDSACASA-N	411.861	5.632	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccccc2NC(=O)OCc2ccccc2)c1	781951674	ZZXMBCPGHNXXGX-UHFFFAOYSA-N	402.450	5.252	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2ccc(C)cc2Sc2ccccc2)c1OC	784098712	UTQWFAUILHWQKD-FQEVSTJZSA-N	418.518	5.158	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1	784471730	KZORJBVACRIPAY-OAQYLSRUSA-N	419.916	5.329	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(c2ccccc2Br)CC1	784765036	MQKFQNWWFCAALK-UHFFFAOYSA-N	415.356	5.085	30	20	HKED	
C=CC[C@]1(C(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)CCCN1C(=O)OC(C)(C)C	790835586	JTRGNSLHPYZZJE-QMHKHESXSA-N	416.566	5.016	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1nccc2ccccc12	792100271	DIGLREYXZNSRCP-CPJSRVTESA-N	412.489	6.084	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)CCC=C2	793127346	WKFKEJFYCPAEEV-JOCHJYFZSA-N	408.457	5.399	30	20	HKED	
N#CC1(CCCOC(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)CCOCC1	800139147	FDFPJEZNMDJYCA-UHFFFAOYSA-N	410.219	5.270	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3cccs3)n2)n1	800396410	GGMFZSKGANLBJA-GFCCVEGCSA-N	401.582	5.606	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1nccc2ccccc12	802813616	ONQQRHWCKUAURW-SFHVURJKSA-N	409.258	5.044	30	20	HKED	
N#CCSc1ccccc1C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1	804180925	WWOQRZMUVUXTAK-UHFFFAOYSA-N	404.457	5.373	30	20	HKED	
O=C(OCc1nc2ccccc2n1C(F)F)c1cc(F)c(C(F)(F)F)cc1F	805595005	VSDDDDBDLQXVIC-UHFFFAOYSA-N	406.257	5.085	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1	806400884	LCCFRBPFIUCHJL-FDDCHVKYSA-N	415.493	5.288	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813217074	BHANOHSHRXLLRL-IAQYHMDHSA-N	400.322	5.174	30	20	HKED	
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccsc2C(F)(F)F)no1	904919986	WOOKPPWDZUIXRR-JTQLQIEISA-N	423.844	5.525	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915351697	BDVPLTANDCOLEZ-OAQYLSRUSA-N	423.438	6.025	30	20	HKED	
CC(C)Cc1ccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2cccs2)cc1	915710509	JBKILXQXHNXTRJ-QHCPKHFHSA-N	419.550	5.760	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/C(=O)c1ccc(OCC#N)cc1	916152331	ZPKQWHKJGKPTAT-MDZDMXLPSA-N	412.276	5.286	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(SC(F)(F)F)cc1	916903156	LIVBCYMVFSYBJV-KRWDZBQOSA-N	420.456	5.384	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1ccccc1Cl	916906094	REAPRCQOQJMZMU-PBHICJAKSA-N	414.958	5.293	30	20	HKED	
C[C@@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C1	916941927	CHHVLVULGLYEGQ-BMIGLBTASA-N	407.322	5.141	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc2cc(Cl)ccc2s1	917046171	GSVPNRUAHDBILC-LBPRGKRZSA-N	415.952	5.554	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCc3c(Cl)cccc32)cc1	919904349	IHJFCOHYLYVCOT-GMAHTHKFSA-N	401.897	5.804	30	20	HKED	
N#C[C@@H](COC(=O)c1csc(-c2ccc(Cl)s2)n1)Cc1ccc(F)cc1	920877758	OCZILXAFYHHFTR-LBPRGKRZSA-N	406.891	5.203	30	20	HKED	
Cc1sc(NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	1473574205	WMTIEVPFEUTPHI-AWEZNQCLSA-N	424.957	5.275	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C)n3)CCC2)cc1	1789624218	MIBLBXKWCLEORN-UHFFFAOYSA-N	423.532	5.269	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CCC2)cc1	1791587286	LSAMFIZXRKTCHS-UHFFFAOYSA-N	421.928	5.454	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1	1791726580	YPFRJQUIVWEFQE-HXUWFJFHSA-N	416.512	5.140	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccco3)cc2)CCC1	1791910384	GEGWQQVAPMYOBO-XXBNENTESA-N	420.553	5.361	30	20	HKED	
Cc1c(Cl)cccc1/N=C(\O)COc1ncnc2ccc(Br)cc12	3456555	IQRGWZVNNJDWFO-UHFFFAOYSA-N	406.667	5.021	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(C)c(F)c1	11083365	LQHGZYOHBVDXKQ-UHFFFAOYSA-O	423.533	5.044	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1	60477532	GOCDPVSSTVCVJI-OAHLLOKOSA-N	417.715	5.716	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(Cl)cc1	105202923	BHOSXESFWCGXAL-CQSZACIVSA-N	423.929	5.688	30	20	HKED	
C=CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1ccccc1F	108447018	WIPFCCZSEXPLND-UHFFFAOYSA-N	401.696	5.413	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1	116002845	UDAIFCCRRIXPET-GOSISDBHSA-N	415.924	5.135	30	20	HKED	
COC(=O)COc1ccc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)cc1	211292710	XNJVQNMCWKWHCO-BENRWUELSA-N	419.458	5.004	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	301946830	VEAXDNSZOQHOLH-OCCSQVGLSA-N	421.488	5.913	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(CC3CC3)C3CCCCC3)c2)c1	303427128	AZJRUCJHTOEVJQ-UHFFFAOYSA-N	416.525	5.387	30	20	HKED	
CC(C)[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccccc2[nH]1	303642063	RETRRVVVNQCEKW-DEOSSOPVSA-N	424.504	5.141	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)C(C)C)cc1OCC	409513210	LXCKRDZVVJPABP-HXOBKFHXSA-N	409.530	5.113	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(Cl)c2)nnc1-c1ccoc1C	428079990	XWKOPHZJZMZWSW-ZDUSSCGKSA-N	417.918	5.058	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)sc2ccc(C#N)cc12	428131699	YPTFEKMCFBWYMZ-OAHLLOKOSA-N	417.534	5.348	30	20	HKED	
Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1	431887158	KHYJJAFDXANBAR-DENIHFKCSA-N	424.976	5.209	30	20	HKED	
CN(C)c1cc(C#N)cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	432712462	DGIKBGWGZUDCJI-JOCHJYFZSA-N	414.896	5.185	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nc(-c2ccccc2)cs1	435458180	OEUQXSAJSCBOOA-SFHVURJKSA-N	412.474	5.228	30	20	HKED	
C[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cncc(F)c1	436320495	HMGMTRMRSVSMCJ-ZUZCIYMTSA-N	423.332	5.293	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)n1	437409452	RPXFHBKRNQEUCQ-QGZVFWFLSA-N	405.454	5.704	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cnn1-c1cccc(C#N)c1	439678813	RCLYFLRBCAXCJZ-AVRDEDQJSA-N	413.525	5.106	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)c1	440043953	PAMNCECLLMUMLE-UHFFFAOYSA-N	413.424	5.635	30	20	HKED	
CCCc1c(NC(=O)[C@@H](C)CSc2ccccc2)cnn1-c1cccc(C#N)c1	440093377	SCUBKOUAKWYXQO-KRWDZBQOSA-N	404.539	5.063	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN(Cc1ccco1)c1ccc(Cl)cc1	440328791	RMFYNRUJDMEBBE-UHFFFAOYSA-N	411.914	5.194	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CSCc2cccnc2)c1	460339677	PMZVETXFJKCJPS-UHFFFAOYSA-N	407.926	5.073	30	20	HKED	
C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1ccc(C)s1	460553313	XLNVJUDHELUGDH-LJQANCHMSA-N	424.570	5.250	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCc2sccc2[C@H]1CC	460574819	GJIXNYGNFUYBFW-GOSISDBHSA-N	424.570	5.114	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccc2)ns1	462039726	OGJFLFCLGHYTDF-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(c3ccccc3F)C2)cc1Cl	463488417	CZKMHJHSPPQFNW-OAQYLSRUSA-N	419.887	5.766	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	464295470	LJPQIRHVIHBKAI-IIBYNOLFSA-N	404.441	5.093	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCCc2cccc(C#N)c2)cc1	466814019	ICMBCSKDEQXJJF-LJQANCHMSA-N	413.521	5.179	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1	468230187	KOHFLCHOORIAPJ-UXHICEINSA-N	405.542	5.134	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	468854250	FGFOYIKDFDPOCR-INIZCTEOSA-N	415.459	5.331	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1	470060760	ZPINCGIJGSKXGS-DHIUTWEWSA-N	415.497	5.161	30	20	HKED	
CCCN(CCCN(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	470613037	OTLWXNYWQQYXBY-NRFANRHFSA-N	412.965	5.191	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	470622229	FTZGHMUNHMQWFO-IUODEOHRSA-N	408.807	5.417	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CO2	471719872	CQCXNQUELOOCEQ-QHCPKHFHSA-N	412.489	5.063	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(OC)ccc1Br	473762395	PQIRFUXGAMBPSQ-UHFFFAOYSA-N	424.360	5.110	30	20	HKED	
CC(=O)N(c1nc(COc2cc(Cl)ccc2C#N)cs1)c1cccc(C)c1C	474396211	WVUWGEVEWCTEFG-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
COc1ccc([C@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccc(F)cc2)cc1	475176640	TULXRNDMXTWJGD-SQJMNOBHSA-N	402.469	5.127	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(C(F)F)c1	479624099	SAKNGPZMVSZMIO-AWEZNQCLSA-N	406.523	5.890	30	20	HKED	
Cc1ccc2[nH]c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c(C)c2c1	480649078	DCDUHAVHJAAXEH-UHFFFAOYSA-N	419.535	5.053	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(COC(C)(C)C)c1C	481018655	FHOHVUMZIGJQSH-UHFFFAOYSA-N	406.979	6.245	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)cc2F)c2ccc(C(F)(F)F)cc2)cc1	486171162	MUTVKBGNYRKIJM-QFIPXVFZSA-N	414.402	5.604	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1	486868819	LKXSVUWQEYBQOU-RXVVDRJESA-N	424.932	5.382	30	20	HKED	
COc1ccc(-c2nc(CSCc3ccc(F)cc3C#N)cs2)c(OC)c1	488515696	PUKXSPKRTOLMHN-UHFFFAOYSA-N	400.500	5.271	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1cccs1	489391521	AMNRSOKJKPBXSG-CQSZACIVSA-N	409.540	5.404	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1C#N	490349705	ZAXYIAYFRSSGIS-UHFFFAOYSA-N	417.538	5.114	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1CCC[C@H](C(F)(F)F)C1	493466044	PPYSQJVNMQUSFG-OUJBWJOFSA-N	419.312	5.376	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CC1	496806563	RIZOOQPUZBFBDI-LLVKDONJSA-N	409.342	5.197	30	20	HKED	
COc1cccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1OC1CCCC1	502402042	XFIHRDZJVZJYHK-UHFFFAOYSA-N	407.514	5.139	30	20	HKED	
COc1ccc(CN2CCc3sccc3[C@@H]2c2cccs2)cc1OCCCC#N	506126630	VBOHAFOSGSTRDC-HSZRJFAPSA-N	424.591	5.648	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)cc1Cl	506479480	XUERXCKXBDTMDB-HDMKZQKVSA-N	406.835	5.913	30	20	HKED	
CC(C)(C(=O)NCc1cccc(COCc2ccccc2)c1)c1cc(F)cc(C#N)c1	506493605	AMMURAYIMSVPNI-UHFFFAOYSA-N	416.496	5.008	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1cc(Cl)ccc1F	510203135	HKFAFGWSUJVLDO-ZDUSSCGKSA-N	411.889	5.532	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(Cl)c1	511515311	VIWPSPBCDMUCLD-OAHLLOKOSA-N	418.884	5.347	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1	512325152	UCVOKWASHJORSH-UHFFFAOYSA-N	403.869	5.035	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CNc2ccc(CC#N)cc2)c1	513605791	YDOKRPBJIDCMNN-UHFFFAOYSA-N	424.504	5.235	30	20	HKED	
CC(C)(C)c1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	516340518	MMGAIVLCCYWCRK-UHFFFAOYSA-N	405.523	5.338	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCCCOc1ccc2ccccc2c1	517178213	UWAVAWKZRZQETM-UHFFFAOYSA-N	410.926	5.506	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	518754525	PYIAXEKEZMFZRS-VGSWGCGISA-N	418.566	6.321	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc(C)c1OCc1cccnc1	521134516	OIEISGPYAHBWTM-UHFFFAOYSA-N	413.521	5.200	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1	521258143	QFDMBZMDPYSQPT-DLBZAZTESA-N	407.539	6.300	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1	524438700	RRQIRQCCZQYJPU-KSFYIVLOSA-N	415.493	5.484	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2cncnc2)cc1	524552243	LMVFJQUIMMLVKS-UHFFFAOYSA-N	408.486	5.419	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F	525141543	ZMXZAUJZVCQLBL-UHFFFAOYSA-N	424.451	5.106	30	20	HKED	
C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1	533256426	STASVXZUPQQNLC-UHFFFAOYSA-N	419.594	5.675	30	20	HKED	
CC(C)[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cc1	539323966	AOOCONONNIIKMD-LJQANCHMSA-N	400.404	5.114	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cccc(C[S@](=O)C4CCCCC4)c3)cc2)CC1	540718695	VVWOCOPDKRJJJH-LJAQVGFWSA-N	406.551	5.075	30	20	HKED	
COCCc1nc(C)c([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543033872	QWVPANPSQFCJPV-IAGOWNOFSA-N	405.567	5.591	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)cc1	544435051	BLGAIUORPBNVPP-UHFFFAOYSA-N	401.853	5.109	30	20	HKED	
C=CCOc1ccc(CN[C@@H](c2cccc(Br)c2)C2CCOCC2)cc1	552088397	JYLQADRXZUOSGA-JOCHJYFZSA-N	416.359	5.271	30	20	HKED	
Cc1ccc([C@@H]2CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)cc1	553123381	AADOFLKYCGWMPH-HXUWFJFHSA-N	421.972	5.143	30	20	HKED	
O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F	558490339	LQKCEQPWNBHIJB-LBPRGKRZSA-N	408.317	5.387	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(-c2ccc(Cl)cc2)o1	561106687	VKKJCNQZEKWINC-UHFFFAOYSA-N	418.787	5.378	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	564551237	WOBSSQVJPMQLJR-UHFFFAOYSA-N	414.509	5.230	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	565556042	CQZIIPJRASJNNE-UHFFFAOYSA-N	405.376	5.075	30	20	HKED	
C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@H](OC1CCOCC1)c1ccccc1	569163404	FEKWEPCHXKFYEU-VFNWGFHPSA-N	404.432	5.314	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1cccc(F)c1	573884672	DNXAVHQVFUNVAM-OXQOHEQNSA-N	410.468	5.224	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2F)c1	576555785	MJTNBPMFEUWTAK-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
C=CCOc1c(Br)cc(CNC2(c3ccc(F)cc3)CCC2)cc1OC	588179091	BQHWAZOAHCKWQG-UHFFFAOYSA-N	420.322	5.331	30	20	HKED	
CC(C)(C)OCc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	589363531	DMDXESJAHDRACA-UHFFFAOYSA-N	416.481	5.705	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1cccc(C#N)n1	589433225	JUHYJRFGXLXSHX-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OCC(C)C	603626442	XBDBCKQMOVSHGI-UHFFFAOYSA-N	417.465	5.041	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(c1c(C#N)cnc2ccc(OC(F)F)cc12)CC3	604303537	SKNREBHVGCWEMN-UHFFFAOYSA-N	404.420	5.060	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1	606949385	WRDXRXGKOOJSET-UHFFFAOYSA-N	401.551	5.424	30	20	HKED	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609070045	CODFJJVERLEDCW-UHFFFAOYSA-N	414.383	5.021	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1	609909456	JQCLCRTYUNTINO-JPYJTQIMSA-N	414.480	5.295	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cnc(-c4ccccc4Cl)s3)CC2)cc1	611247351	ASFCYIAQULRGQK-UHFFFAOYSA-N	405.910	5.265	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1nc2ccccc2n1C(F)F	613401685	LCICWXZIXNOKJI-SFHVURJKSA-N	421.378	5.853	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1	615518431	JZLGUYDEFJWMTH-UHFFFAOYSA-N	417.484	5.322	30	20	HKED	
C[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485702	VWJCVOKICKOLOV-BDJLRTHQSA-N	423.328	5.169	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1(c2ccc(OC)cc2)CCOCC1	682777030	AZQLQLCPUQLEAA-UHFFFAOYSA-N	408.542	5.375	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1	682778156	XEUGEMLBXHJOJU-HXUWFJFHSA-N	420.475	6.067	30	20	HKED	
N#Cc1ccc(NC(=S)NN(Cc2ccccc2)Cc2ccccc2)cc1Cl	726441539	OSIZXCNEXUGMLO-UHFFFAOYSA-N	406.942	5.115	30	20	HKED	
N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)CCC4)C2=O)c1	726801081	DDXFXGXEGIKIJL-KGENOOAVSA-N	420.559	5.264	30	20	HKED	
Cc1ccccc1-c1nn(CN(CCC#N)CCC(C)C)c(=S)n1Cc1ccco1	728901514	MHGJJMAXHRFZMF-UHFFFAOYSA-N	423.586	5.250	30	20	HKED	
COc1ccc(CSc2nn(CN(CCC#N)CC(C)(C)C)c(=S)s2)cc1	729468139	MDQFCLAAZSYHCP-UHFFFAOYSA-N	422.645	5.194	30	20	HKED	
N#CCOc1ccccc1C(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1	729656269	YKNMRFDAFDBGNW-UHFFFAOYSA-N	418.415	5.073	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCC(C)C)n2)cc1	731412663	WVAQKTSOBYTYST-LJQANCHMSA-N	406.507	5.344	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	733083379	IREDAHVIGJEYHH-HJWRWDBZSA-N	413.524	5.677	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCCc2nc3ccccc3s2)c1	733773079	NZWMHWFVXAQNNY-SFHVURJKSA-N	407.539	5.006	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(-c3nc4cc(F)ccc4n3C)cc2C)c1	737462203	YANLZUDZAHUSMN-UHFFFAOYSA-N	414.509	5.478	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)cc1	741059306	PJDQKCMHSOJKKR-QFIPXVFZSA-N	401.897	5.806	30	20	HKED	
O=C(/C=C/c1cc(Cl)ccc1OC1CCCC1)c1cccc(N2CCOC2=O)c1	742433453	YHTOQJWXUKRILL-CSKARUKUSA-N	411.885	5.514	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1sc(-c2cccs2)nc1C	743837697	LFIHPUUTYNHQNL-UHFFFAOYSA-N	415.565	5.065	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Cl)c1	744074633	NQQZHQMWGLVFGC-SMDDNHRTSA-N	402.853	5.722	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1sc(-c2cccnc2)nc1C	747610871	PJMPTNYQUYMLAL-UHFFFAOYSA-N	412.733	5.705	30	20	HKED	
N#Cc1csc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)c1	748439023	JDEOFFBXHCJZJN-XGICHPGQSA-N	401.925	5.795	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Cl)c1	750683678	ICFNRWNSILZNAX-QJWNTBNXSA-N	420.868	5.406	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(O)cc2)cc(Br)c1OC(F)F	750901754	XAKSJWSYNQXRKS-BAQGIRSFSA-N	413.214	5.051	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)o1	751726097	KWJKGVGCRMRDLB-MRXNPFEDSA-N	420.490	5.136	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1	752207514	TYKXEFCDNVEIJF-OAQYLSRUSA-N	409.917	5.133	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(C)cs3)cc2)cc1C#N	752222479	MWXMVFSYCNGUJA-UHFFFAOYSA-N	421.482	5.203	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\SCc1ccco1	754239103	WGJUXMBWBKAUPJ-POHAHGRESA-N	412.458	5.690	30	20	HKED	
Cc1sc2nc(/C(Cl)=C/c3ccccc3C#N)nc(O)c2c1-c1ccccc1	755580063	XYXDQBYFCRHYOI-BOPFTXTBSA-N	403.894	5.981	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cc(C)ccc2F)cs1	759651639	BZFDNIOAACQHAY-UHFFFAOYSA-N	402.882	5.375	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3ccccc3cc2OC(F)F)c1	761703468	UULYJVKNRZPYNP-GOSISDBHSA-N	410.420	5.052	30	20	HKED	
Cc1oc2ccccc2c1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	767955887	HXJRXBPGHGVLDB-HNNXBMFYSA-N	414.408	5.789	30	20	HKED	
N#C[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1	768181519	PXKTUBCOVBSQQD-GFCCVEGCSA-N	407.606	5.660	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccnc(Br)c1	769799734	POIAFUHVEGZXMN-UHFFFAOYSA-N	418.726	5.253	30	20	HKED	
COCc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	772586876	CUBYNEZBRXHTIE-UHFFFAOYSA-N	403.457	5.078	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN[C@H]2CCCCC2(C)C)cs1	773123969	HSLIHKDVZNUSCN-SFHVURJKSA-N	404.967	5.373	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cc1ccccc1CC#N	776899350	ATFMKNQLTWQZDU-AWEZNQCLSA-N	409.942	5.258	30	20	HKED	
CCOc1cc(Br)c(N[C@H](C)c2ccc(OCC#N)cc2)cc1OCC	777708788	SEJPTHCKSGTTID-CQSZACIVSA-N	419.319	5.322	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	779045930	PIBAKFVOIACAML-UHFFFAOYSA-N	407.539	5.166	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	779713179	QMDQMXGSOVMYGP-RYUDHWBXSA-N	411.811	5.089	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CC2CCC3(CC2)OCCO3)cc1Cl	788435524	JSQWDQSSICSXJA-NRFANRHFSA-N	424.928	5.257	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	789454584	BDCIYQGZFCYMIS-UHFFFAOYSA-N	401.554	6.431	30	20	HKED	
CCCOc1ccc(CC(=O)[C@@H](C#N)c2nccc3ccccc23)cc1OCCC	792101243	GGTPYFAQNFDHPU-OAQYLSRUSA-N	402.494	5.231	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nccc2ccccc12	792102667	GVSNEHZTTNUDND-AFCDSYGPSA-N	400.787	5.797	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNCC2(c3ccc(Br)s3)CCC2)cc1	796450573	OPYPFKLXXFDKJQ-CQSZACIVSA-N	405.361	5.013	30	20	HKED	
C[C@H](Oc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	796649263	FMKWMKHSZPFBDZ-KBXCAEBGSA-N	405.404	5.228	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1	797566812	ARFUWCRVQIEYBN-INIZCTEOSA-N	413.543	5.207	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)cc1	806200897	PLBSNVKOVHTPRW-PKTZIBPZSA-N	419.912	5.241	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCNC2=O)cc1)=C/c1cccc(C(F)(F)F)c1	806573013	VGKIDCFPIWGAKR-ANKWJQRPSA-N	400.400	5.077	30	20	HKED	
O=C1/C(=C/c2cnn(CC(F)F)c2)CCc2nc(-c3ccc(Cl)cc3)sc21	814188214	IMMYOWYOCYWLBR-NTUHNPAUSA-N	405.857	5.138	30	20	HKED	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)c1	814278966	JYSXOXGQPQMLRG-ZHZULCJRSA-N	407.564	5.059	30	20	HKED	
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cc(Br)cc(Cl)c1O	815636058	OCHAWQRLWWLXTL-ACJLOTCBSA-N	407.739	5.894	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(F)cc2OCC(F)(F)F)c1	864011393	DQSOENHIWXDFAR-UHFFFAOYSA-N	403.173	5.013	30	20	HKED	
CSc1nc(C)c(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)n1	915086964	OQECNFGFBJYUIG-JOCHJYFZSA-N	416.550	5.042	30	20	HKED	
N#C[C@H](C(=O)CCCOCCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	916975129	AHBHTCATTRNISL-HXUWFJFHSA-N	424.953	5.679	30	20	HKED	
COc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	917045595	YJYYGSKLRVBAAK-UFRMUOTOSA-N	402.397	5.213	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(Cc2ccccc2C(F)(F)F)C2CC2)c1=S	917473858	GMOOWURWXJDUDD-UHFFFAOYSA-N	408.493	5.118	30	20	HKED	
C=CCc1cc(OCC)cc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1O	919943582	MWGFYBGFMWADCY-HUUCEWRRSA-N	411.386	5.082	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc(Cl)s3)n2)cc1	920140679	AWBBHNGMXFUHJE-DDJMYBDESA-N	400.912	5.423	30	20	HKED	
N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CC4CCCC4)cc3)CCC2)c1	1787618369	FPCAGFUJJXPYLQ-UHFFFAOYSA-N	419.500	5.025	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(F)cc1	6096925	RINAOBAZFAJDGN-KRWDZBQOSA-N	424.545	5.315	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2cccs2)nc1C	21550166	NGWDUUIGNXSPOT-UHFFFAOYSA-N	424.547	5.192	30	20	HKED	
C=CCn1c(SCc2ccccn2)nc2sc(-c3ccccc3)c(C)c2c1=O	31751274	KCRDBJRSBSMGCZ-UHFFFAOYSA-N	405.548	5.307	30	20	HKED	
Cc1nc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc1SCC#N	44789557	IBSFNCBRHTWEMX-UHFFFAOYSA-N	414.364	5.841	30	20	HKED	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSCc1ccc(C#N)cc1	57683774	UYDTWWMHODYZBX-UHFFFAOYSA-N	408.445	5.238	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc2c(c1)OCCO2	58698249	TWAFMPHZTMAKTM-UHFFFAOYSA-N	414.461	5.038	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1	303133956	PXJSKKNSHIDFCV-UHFFFAOYSA-N	419.289	5.980	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c3nc(C(C)C)no3)n2)o1	303580162	KFWDNARZDYNSRB-NSHDSACASA-N	422.432	5.900	30	20	HKED	
Cc1cc(-c2noc([C@H](C)N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2)ccc1F	303705646	SKPAJMRJQJDMIH-JTQLQIEISA-N	411.321	5.062	30	20	HKED	
N/C(=N/Cc1cccc(NC(=O)C2CCC2)c1)Nc1cccc(Oc2ccccc2)c1	304508824	VYFHLSFECQEUJT-UHFFFAOYSA-N	414.509	5.144	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ncon3)cc2)cc1Cl	409790679	IPVMUFJDXDMUJT-FQEVSTJZSA-N	414.852	5.298	30	20	HKED	
CCCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1ccc(F)cc1	429633477	ILACFMYXFSJERO-FQEVSTJZSA-N	405.477	5.130	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-]	430925291	KEDSFNPCHJNLBJ-LLVKDONJSA-N	420.288	5.004	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)C[C@H](CC#N)c2ccccc2)ccc1Br	431131190	ZLRMCEYVBQUALW-GHTZIAJQSA-N	411.343	5.509	30	20	HKED	
N#CCCC[C@H](NCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1	433023472	QIEJUNZMXDNTNC-SFHVURJKSA-N	400.404	5.280	30	20	HKED	
N#C[C@@H](CCc1ccccc1)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1	433375340	PDYVRCDRQLHYDR-HXUWFJFHSA-N	400.444	5.184	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)s1	433522294	ZTBUGYAUZYRFDH-AWEZNQCLSA-N	400.573	5.257	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433612810	PDOTUNFLJGJGRS-MGPLVRAMSA-N	422.344	5.692	30	20	HKED	
Fc1ccc(F)c([C@H](NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C(F)F)c1	434678823	KWGYEJAELUUOMQ-HNNXBMFYSA-N	419.300	5.130	30	20	HKED	
CCCc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1cccc(C)c1	435553799	JIOTVMZYSBSDLL-UHFFFAOYSA-N	402.498	5.068	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)cc1	436338805	XVLBGQPACAJEBQ-FTJBHMTQSA-N	421.500	5.457	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	438452655	WIYWFBQFGMLITM-BWAGFHJFSA-N	416.924	5.191	30	20	HKED	
N#Cc1cc(NC(=O)NCc2ccncc2)ccc1Oc1ccc(C(F)(F)F)cc1	438540800	LPNVLKFNQMLEKT-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	439348684	ANGFVFWDRPLTOQ-DZWOVHDNSA-N	419.525	5.144	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)c2sccc2C#N)c(Br)c1	441584494	JQNQOBYGEUQQQH-UHFFFAOYSA-N	415.312	5.126	30	20	HKED	
FC(F)(F)C[C@H](NCc1cnc(C(F)(F)F)s1)c1ccc(C(F)(F)F)cc1	444004064	WFVQFUWNUZYAEE-NSHDSACASA-N	422.316	5.964	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)N3CCC(C#N)CC3)cc2Cl)n1	445050844	SXTPHYYPBKMXAG-UHFFFAOYSA-N	419.938	5.049	30	20	HKED	
Cc1ccc(NCc2cc(C#N)cs2)cc1Oc1ncccc1Br	448352621	DTLLUVSQQQHBGO-UHFFFAOYSA-N	400.301	5.490	30	20	HKED	
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC=C(c2cccc3ccccc23)CC1	460963993	QCLVPEHDBYFPTB-QHCPKHFHSA-N	400.526	5.153	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1Cl	462110781	JIVGARMJYFJXFU-UHFFFAOYSA-N	401.278	5.059	30	20	HKED	
C[C@H](C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)c1cccc(C#N)c1	463344077	HXLYXDZPFNRFOU-HNNXBMFYSA-N	403.869	5.206	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(=Cc2ccccc2F)CC1	464884524	IFBYZFXGSGYLNT-GOSISDBHSA-N	423.557	5.338	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSC[C@H]1CCC2(CCCCC2)O1	466737460	FVXMYLQVJMNECY-QZTJIDSGSA-N	418.628	5.492	30	20	HKED	
Cc1ccc2[nH]cc(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2c1	468380177	BUBVHRRUNLACEM-UHFFFAOYSA-N	423.516	5.693	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4ccco4)cc3F)o2)cc1	470517918	DAAGZJXLONXYMG-UHFFFAOYSA-N	402.381	5.382	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1cn(C)c2cc(F)ccc12	473674277	HQBPQVDRCKZWJJ-OAHLLOKOSA-N	410.518	5.076	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C[C@H](CC#N)c3ccccc3)s2)cc1	475781891	PELSVEOJJUQGFA-UWJYYQICSA-N	403.551	5.692	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1	481392325	OTRFNPIILKDMOJ-UHFFFAOYSA-N	424.574	5.210	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1-c1ncco1	481873108	JSTWTPXSAYWCHF-UHFFFAOYSA-N	409.445	5.761	30	20	HKED	
O=C(N[C@@H](C1CCCCC1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	482279845	WWAGABVPONYBCK-JTQLQIEISA-N	414.312	5.024	30	20	HKED	
CSc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C	482578215	GCVAMODMSVCOAW-NSHDSACASA-N	423.350	5.062	30	20	HKED	
CN(C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C1CCC(F)(F)CC1	483330895	CXFZZALLKBNLPE-UHFFFAOYSA-N	402.310	5.348	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	486142246	HFPQKDBANLPTCB-YCRPNKLZSA-N	401.535	5.288	30	20	HKED	
C=CCC[C@@H](C(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccccc1	489022695	HJBFGTBBGKWDNM-OAQYLSRUSA-N	407.514	5.175	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(F)cc3C#N)n2Cc2ccco2)cc1	489416211	SNUADVHWWLYRDN-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(CCC#N)CC(C)(C)C	494169257	UFGWXLNPLDSZJZ-UHFFFAOYSA-N	405.951	5.086	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	495083453	XPXYWRWTKNYEMZ-HXUWFJFHSA-N	417.534	5.155	30	20	HKED	
C=CCn1c(SCc2cc(Br)ccc2Cl)nnc1-c1cccnc1	495862427	OEFRLXMSUJGOKO-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1ccccn1	497895201	BAOREJOCUFNVIB-SBUREZEXSA-N	419.912	5.012	30	20	HKED	
CCn1cc(CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc21	498347525	ZREPVUQQYWTIHB-UHFFFAOYSA-N	410.477	5.210	30	20	HKED	
C=CCN(C(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CC1	498663651	OXPKGECMOAISRF-HXUWFJFHSA-N	404.432	5.163	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl	499816171	UTIYJMQPLXJENG-IOASZLSFSA-N	413.226	5.497	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c12	499831861	HPVFSEJPASNPBK-KRWDZBQOSA-N	420.856	5.254	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c(Cl)c1	502658993	UCUFLAZCWHULDL-HXUWFJFHSA-N	411.292	5.366	30	20	HKED	
C[C@H]1C[C@@]1(NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	503371597	SUNVSMZPLWALIY-DMPWYTOCSA-N	413.974	5.198	30	20	HKED	
N#C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccc(Cl)c1Cl	505317874	AMOXFHPABAFIIJ-KRWDZBQOSA-N	414.292	5.352	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1c(Cl)cccc1Cl	505504930	CEDZOSCJXGUECL-MRXNPFEDSA-N	418.255	5.101	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1Oc1ccccc1	506166980	SDLLATNSRQKEHJ-SFHVURJKSA-N	416.525	5.016	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccc(F)cc2)n1	508861238	HORZTDUJZWCFPQ-UHFFFAOYSA-N	422.554	5.610	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3Oc3ccncc3)c2)c1	509633389	JNCNFKCLZAVVNW-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
Cc1noc(C)c1CSCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	510588927	RPGYHBIASYOTLB-AWEZNQCLSA-N	417.600	5.248	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)CNc1ccccc1SC[C@H](C)C#N	516202142	OHPWUOSYQXBDDR-CYBMUJFWSA-N	418.360	5.060	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	517511712	NEALZKLEWKWJCO-QMHKHESXSA-N	411.461	5.197	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	518668456	CWDLZHYPXDGOOJ-UHFFFAOYSA-N	422.472	5.888	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)oc2c1	518886119	ASGYHGIHMKULLK-LJQANCHMSA-N	421.456	5.485	30	20	HKED	
N#CCCN(C(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccccc1	522748952	GYMOGLARWWZUPD-DEOSSOPVSA-N	423.944	5.024	30	20	HKED	
CC(C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(F)c1	522881671	INCZUWVPDHFKCH-UHFFFAOYSA-N	406.432	5.332	30	20	HKED	
CN(Cc1ccccc1NCc1ccc(C#N)cc1F)C(=O)c1cc2ccccc2o1	522980185	OPOYRLCHUVBIBO-UHFFFAOYSA-N	413.452	5.328	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)cs1	530990321	DKDASSPFLRBYQX-JTHBVZDNSA-N	416.550	5.100	30	20	HKED	
C[C@@H](NCc1cc(C#N)cs1)c1nc(-c2ccc(Br)cc2)cs1	531667292	BKPGMWPRJMCNJY-LLVKDONJSA-N	404.358	5.357	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1c(C)noc1C	534569829	UBQCCWHWABOEIS-IBGZPJMESA-N	420.469	5.237	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1scnc1C1CC1	535703215	ZTMNNTWRUKIQRZ-UHFFFAOYSA-N	410.312	5.142	30	20	HKED	
COc1ccc(N(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1F	536393562	ARZIORDLEYSMNI-UHFFFAOYSA-N	410.832	5.428	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1	538422881	TWGVQLDXDGDSRP-CYBMUJFWSA-N	401.557	5.360	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1	540552311	KNICUYDQJHVDOJ-UHFFFAOYSA-N	420.900	5.213	30	20	HKED	
C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1cccc(C#N)c1	540596297	RQKCGSXSNGQAAY-FYSMJZIKSA-N	404.897	5.423	30	20	HKED	
C[C@H](CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nccs1	541420521	UGCSOVBLOIPBHX-QGZVFWFLSA-N	420.538	5.056	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)oc2c(Br)cccc12	542021867	LYKYLKNKQSGJAK-LBPRGKRZSA-N	403.301	5.574	30	20	HKED	
N#CCCC[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1	552083232	XFJPQNPSNKJVRA-XMMPIXPASA-N	417.940	6.117	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	558176737	QHNZGFRNSMFDIO-HUUCEWRRSA-N	400.931	5.582	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCc4occc4C3)cc2Cl)cc1	558192630	LJUGOGQFNFFARB-UHFFFAOYSA-N	407.857	5.577	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CSC2CCCC2)c1	558362545	OERPXSYFPGPBKG-UHFFFAOYSA-N	414.571	5.558	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)CC2(CCc3ccccc3)CCCC2)CC1	558594127	CTZUUGAYUGKDEX-UHFFFAOYSA-N	401.554	5.049	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1	576434726	LHUBMWXVAJGOOO-VGOFRKELSA-N	422.504	5.093	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](OC(C)C)c1ccccc1	582713980	ALTOZXNWTPARHV-VWLOTQADSA-N	414.505	5.551	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1	592975490	HBAZSRQBHZUFHI-HNNXBMFYSA-N	423.494	5.448	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603690108	IQZHDFTZLGJIEH-UHFFFAOYSA-N	412.902	5.514	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(CCc3ccccc3)C3CCCC3)o2)cc1	609056365	IZVZRALQEQKSIK-UHFFFAOYSA-N	414.505	5.358	30	20	HKED	
N#Cc1ccccc1NC(=O)c1ccc(COc2ccccc2Br)cc1	609092258	FAAQUPSBSQSMFZ-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccn1	609207796	MVBQFEYNXQUDAS-DEOSSOPVSA-N	414.509	5.504	30	20	HKED	
CN(C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(C#N)cc1F	609217771	RUZKFIUIRGRGDK-UHFFFAOYSA-N	400.409	5.299	30	20	HKED	
Cc1ccc(N(C(=O)c2ccc(COc3ccccc3C#N)o2)C2CCCCC2)nc1	609375709	QODIUHACLZWCJG-UHFFFAOYSA-N	415.493	5.413	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl	609428127	AKGSZQZAYJPSSE-ZIAGYGMSSA-N	407.366	6.205	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3coc(-c4cccs4)n3)cc2)c1	609434372	ZUQVKUUSMBECHC-UHFFFAOYSA-N	416.462	5.389	30	20	HKED	
COc1cccc(C2(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCC2)c1	609436533	OSIYQCVVSMABIW-SFHVURJKSA-N	423.582	5.723	30	20	HKED	
CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C	609504243	HLKKRIWLEMZWOE-UHFFFAOYSA-N	413.477	5.373	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1OCCc2ccccc21	609601716	YLKHJAMNZMRCCC-XMMPIXPASA-N	413.477	5.095	30	20	HKED	
COc1ccc(C(NCc2ccc(C#N)cc2OC(F)F)c2ccc(OC)cc2)cc1	610647898	LETLMGOLWVPIDF-UHFFFAOYSA-N	424.447	5.056	30	20	HKED	
CCC1(O)CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1	611317002	IEIQATWRYGXBOE-UHFFFAOYSA-N	413.905	5.209	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2Cl)cc1	614999992	REXORNKSPMGJOQ-UHFFFAOYSA-N	420.896	5.087	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cn2)cc1	618045001	HYJUBLUAWPYCPG-UHFFFAOYSA-N	405.841	5.001	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1Cl	619828565	VEJYAXCXXUNYIY-UHFFFAOYSA-N	403.860	5.144	30	20	HKED	
C=CCCO[C@H](C)C(=O)N(CC=C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	620570232	MZSXNBYMQVIAQQ-CYBMUJFWSA-N	411.354	5.617	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C1CCC(C(F)(F)F)CC1	622572593	OATYRBZURMOKDJ-UHFFFAOYSA-N	405.285	5.614	30	20	HKED	
CC(C)c1nc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)nn1-c1ccccc1Cl	623173880	OKSATCLRSFHUFN-MRXNPFEDSA-N	415.884	5.082	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC[C@H]4CCCO4)c3)n2)cc1	642281060	FZAQFPJGIGVEMR-NHCUHLMSSA-N	418.518	5.166	30	20	HKED	
Fc1cc(Br)cc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	674005256	BQCVDTPSYNSHKF-UWVGGRQHSA-N	408.155	5.151	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@H](Cc2ccncc2)C1)c1ccc(C(F)(F)F)cc1	679874215	ZXDGEMXNOVCZCB-WIYYLYMNSA-N	417.475	5.382	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cc(COc3cccc(F)c3)ccc2OC)c1	726485309	NLGADFUCRMICMI-UHFFFAOYSA-N	406.482	5.204	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)NCc1ccc(OCC#N)cc1	727936248	IDMKAMYPEIEIBW-UHFFFAOYSA-N	405.885	5.540	30	20	HKED	
Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)[C@H](C)CC#N)c2=S)cc1	728903841	HCJKMYJKMDUKPI-MRXNPFEDSA-N	411.962	5.224	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1ccc(O)cc1	730149861	ZUSCKRPSLNDQQX-DHZHZOJOSA-N	400.297	5.483	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(C)n1[C@H](C)c1ccccc1	730418340	URKSJQQOBJRIJH-FOIQADDNSA-N	417.509	5.953	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1	733787054	KFXZXZVEMCOZAV-JOCHJYFZSA-N	423.516	5.301	30	20	HKED	
CCN(CC)c1ccc(C=Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c(O)c1	734752677	JOJGEVVWLGXADF-SSEXGKCCSA-N	420.578	5.438	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N	735317469	AQBGQYKGYCSBSH-HNNXBMFYSA-N	402.947	5.626	30	20	HKED	
CC(C)N(CCC#N)Cn1nc(-c2ccco2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S	739841729	PHNAUVKVPUYTSZ-XWSJACJDSA-N	413.591	5.253	30	20	HKED	
CC(C)OCc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740444347	WDZJBHQYFBTZCU-UHFFFAOYSA-N	405.523	5.533	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccnc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	741113698	QENJUFUJUHQEJZ-HLRDLLSLSA-N	417.440	5.526	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2)o1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741840944	CEHVOUIUIAZELC-WQLSENKSSA-N	420.408	5.179	30	20	HKED	
CC(COc1ccc2cc(Br)ccc2c1)=NNc1nncc2ccccc12	743423253	MIQJBXSZNZZIKK-UHFFFAOYSA-N	421.298	5.412	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1SCCc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	744074303	MRZBUGSLQULXBS-XOBRGWDASA-N	412.486	5.295	30	20	HKED	
COc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1SC	746486862	JKSDDTJJTBYMQV-UHFFFAOYSA-N	421.547	5.046	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	748840052	VXOYFFPEQKAAGJ-JHJVBQTASA-N	400.475	5.438	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(C)s1	749179885	VURQQQFYNIXOAD-CYBMUJFWSA-N	411.340	5.417	30	20	HKED	
COc1ccc([C@H](C)CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	750689386	LVOVSPMONXJXEU-WBMJQRKESA-N	418.440	5.694	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)c(Cl)c1	754395603	NAIFFCGPFQPQMS-UHFFFAOYSA-N	417.273	5.398	30	20	HKED	
C[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1ccc(C#N)cc1	756454356	CFZVQZZINCRKOL-WDEREUQCSA-N	424.136	5.201	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	760205263	TXXPZUDERYRQRR-QGZVFWFLSA-N	424.497	5.310	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	760786816	XUDXGJQKQYXKKH-VXKWHMMOSA-N	416.452	5.049	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1=S	765046752	GZDJSNLFLBTMRY-RBUKOAKNSA-N	421.595	5.058	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1	769305093	HOPAHUAPDQTQLT-VQIMIIECSA-N	422.916	5.060	30	20	HKED	
COc1ccsc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1	769745205	ZQKQRMUYLVHUFE-YVMONPNESA-N	418.927	5.447	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCCSCc3ccnc(Cl)c3)c2)cc1	771487565	BRQACMOSAPPOSV-UHFFFAOYSA-N	423.925	5.062	30	20	HKED	
C[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1cccc(C(=O)c2ccccc2)c1	772736134	IPUBFJRFCKVNNA-QZTJIDSGSA-N	403.503	5.008	30	20	HKED	
C#CCCCCC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	773283125	DYABVIXIOQNTIW-UHFFFAOYSA-N	402.416	5.398	30	20	HKED	
COc1cccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c1	776164640	UZBRUMRMDLVPRF-XDHUDOTRSA-N	406.913	5.691	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12	780152284	DOPRYYDVGBCHLV-UONOGXRCSA-N	411.914	5.298	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(C3CCCCC3)c2C)cc1	781449151	RZAYJPIIOLCILF-IIBYNOLFSA-N	406.530	5.171	30	20	HKED	
C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782524755	UJFSIMMDSOMUHJ-HXUWFJFHSA-N	409.533	5.312	30	20	HKED	
N#C[C@@H](C(=O)CCCCC(=O)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1	783355286	LLPUPZUPDUUMNX-SFHVURJKSA-N	417.292	5.084	30	20	HKED	
FC(F)(F)c1nc(Cl)ccc1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	787185703	IVVVIYAYZJXFFX-IUCAKERBSA-N	414.699	5.317	30	20	HKED	
CC(C)(C)c1cnc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)s1	790602040	ZWWJKUAEFXTCCO-SEYXRHQNSA-N	403.569	5.053	30	20	HKED	
N#Cc1cc(NC(=O)c2ccnc(F)c2F)ccc1Oc1ccc(C(F)(F)F)cc1	791610680	DWLUPZBTGMRRHL-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl	791884286	YMQKYDFHRWHNDD-UHFFFAOYSA-N	412.276	5.428	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)c1nccc2ccccc12	792099036	GJRVAFPQMWDTHW-VDZCTEQFSA-N	407.473	5.461	30	20	HKED	
O=C1/C(=C/c2ccc(SCc3ccccc3)cc2)CCc2c1cnn2-c1ncccn1	792900586	PATPDJOBHRZGLW-HMMYKYKNSA-N	424.529	5.167	30	20	HKED	
CCC(C)(C)c1ccc(OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c(Cl)c1	793179811	MHLOBABXYHLTTH-UHFFFAOYSA-N	415.921	5.018	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](c2cncc(Br)c2)C2CC2)cc1	793574064	YHLJJAXOKWLZPM-JLTOFOAXSA-N	421.766	5.777	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)cc2)cc(OC)c1OC	796991444	AEPQOYDRVMLSGH-FMIVXFBMSA-N	422.452	5.327	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	798815715	CQUNLWDTEXYBNC-AUUYWEPGSA-N	410.395	5.310	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C/C(=O)c1ccnc(O)c1	806556144	OGERBZYGRWVJSD-SNAWJCMRSA-N	422.699	5.197	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc(OC)c1OCC(F)F	809155198	QVJJEIGGNRWRJF-ZZXKWVIFSA-N	400.780	5.036	30	20	HKED	
CCCc1c(N[C@H](C)c2ccc(Br)nc2)cnn1-c1cccc(C#N)c1	810237331	BNZSOMYCYZENCL-CQSZACIVSA-N	410.319	5.027	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1)c1ccncc1	812048358	SFQRQYJKQCRYOD-LJQANCHMSA-N	404.341	5.595	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(C2SCCS2)cc1	914515562	WCDOQIZVENDFQQ-UHFFFAOYSA-N	416.571	5.884	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1	916844634	RXRXXFKUNCMRPI-GEXIGZQTSA-N	423.316	5.490	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4cc(C)on4)c3C)n2)cc1	916973340	WNJNTGLDTXPROR-IBGZPJMESA-N	416.506	5.313	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)COCc1ccccc1	919773815	ZLTIBDNVHSOJJZ-NLFFAJNJSA-N	413.521	5.316	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1	919867621	DHQXPYWEBXYSRY-UHFFFAOYSA-N	424.591	5.232	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1	1791252028	GFLJBYKUKKVQLU-RBUKOAKNSA-N	415.537	5.274	30	20	HKED	
C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	10846839	LIIBGQGZXWVLQD-NSHDSACASA-N	401.850	5.125	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(CC)cc2)cc1	11153763	WRWBAIPWCOBLIZ-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc(CC#N)cc3)cc12	16495779	QTGXKFWOQZJGPH-UHFFFAOYSA-N	420.925	5.426	30	20	HKED	
CCN(CC)Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	24927473	BWAYAYWEZGNQHS-UHFFFAOYSA-N	415.562	5.804	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1COc1ccccc1	25668293	MTYNBZIBVCXSRU-UHFFFAOYSA-N	409.407	5.066	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC(F)F	51154699	SHKWPJHWOGXIFH-OAHLLOKOSA-N	414.433	5.219	30	20	HKED	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1	59420535	JOZBCEALJUIVJN-CQSZACIVSA-N	404.401	5.031	30	20	HKED	
COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2C2CCCCC2)cc1	60383586	ZWHSWQVLUZRPTF-UHFFFAOYSA-N	404.539	5.623	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	65680308	RESYYNYZBOXHCR-ZHRRBRCNSA-N	411.461	5.197	30	20	HKED	
C#CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)C1CCCCC1	109324753	CVSLHRSYSWUTAO-UHFFFAOYSA-N	400.526	5.087	30	20	HKED	
COc1ccc(N(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](C)C2CC2)cc1	109734197	WCCGOHUFGQUHHW-KRWDZBQOSA-N	416.477	5.184	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)ccc1OCc1ccccc1	237252504	VJMYFWGVLHSODM-VQTJNVASSA-N	416.521	5.416	30	20	HKED	
CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)C2=O)cc1	303848446	FGFIIZQZQGDJEP-XLIONFOSSA-N	421.566	5.053	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21	431183727	QOWKTKKMOGGJRP-VGOFRKELSA-N	405.567	6.012	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F	431830278	AAYLEJYUXABEIX-FOIQADDNSA-N	415.509	6.118	30	20	HKED	
Cc1occc1-c1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)n1C	434642446	HVEABVIHUSGOPO-UHFFFAOYSA-N	414.534	5.376	30	20	HKED	
C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1c1ccc(C(F)(F)F)cc1	441260708	NYRQKSBBTPIOTC-VLIAUNLRSA-N	412.415	5.210	30	20	HKED	
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	442391239	DPMWGNKYZFZZHA-DNVCBOLYSA-N	407.926	5.510	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccncc3Oc3ccccc3)n2)cc1	442519819	SUHMEKLUNAEPDM-FQEVSTJZSA-N	411.486	5.796	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1C	442529929	RSOSTHNVAIPKMW-JTQLQIEISA-N	424.270	5.362	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)s1	443601001	JEHNDEXPGCKIIM-NWDGAFQWSA-N	424.389	5.645	30	20	HKED	
N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Oc2ccccc2C(F)(F)F)nc1	462898239	WGBBOWNZLFBIKF-UHFFFAOYSA-N	414.343	5.285	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2)cc1	464411615	QEJOJWJIKPSNLZ-IBGZPJMESA-N	406.367	5.206	30	20	HKED	
CCc1ccc([C@@H](COC)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1	466075802	YIECJMDZGREQME-HXUWFJFHSA-N	405.454	5.015	30	20	HKED	
Cc1sc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1-c1ccc(F)cc1	468513776	FTMBJSBYTJWLKO-UHFFFAOYSA-N	413.358	5.820	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)c1cccc(F)c1	468813547	CSFBZBUKVVLCCL-MRXNPFEDSA-N	402.425	5.337	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccc(F)cc3)c3cccnc3)ccc21	469306472	YNYDLSIMQGZLKL-VWLOTQADSA-N	414.484	5.005	30	20	HKED	
C[C@H](CCC1CCCCC1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470532350	ORUFHOAUCHDDCE-GOSISDBHSA-N	410.562	5.140	30	20	HKED	
Cc1nc(SCC(=O)Nc2cccc(COC(C)(C)C)c2C)c(C#N)c(C)c1C	474771126	ZNJGXJGOUFCMLN-UHFFFAOYSA-N	411.571	5.233	30	20	HKED	
Cc1sc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)nc1-c1ccc(Cl)cc1	475120284	OLSNTUHQDQVIJJ-UHFFFAOYSA-N	409.942	5.503	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1)c1ccccc1	475585040	UMYCTZQVABAMHS-HNNXBMFYSA-N	413.449	5.438	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	476538744	DBURDBCACVPNSE-REWPJTCUSA-N	403.913	5.223	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1C1CC1	477311482	UQBHZYVRVQMJRB-QGZVFWFLSA-N	414.509	5.956	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1Br	478730753	CYGCBWAAZJYONY-UHFFFAOYSA-N	406.711	5.418	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(-c2ccccc2)no1	481334112	BXBDRQBEIWWCKE-UHFFFAOYSA-N	418.522	5.299	30	20	HKED	
C=C(C)[C@H](N[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)c(F)c1	481596921	JJFUNAVVCYLRSJ-XIKOKIGWSA-N	423.385	6.002	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3)cc2F)c1	481599496	UCCCEZZVSGWDIY-QHCPKHFHSA-N	415.468	5.645	30	20	HKED	
CC(C)(C#N)c1ccccc1CNc1cccc(-c2cn(Cc3ccccc3)nn2)c1	486565291	MBBJWJKSXFXQNC-UHFFFAOYSA-N	407.521	5.407	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1sc2ccccc2c1Br	486629233	RPWLQLQMYBTMJM-UHFFFAOYSA-N	400.301	5.220	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3ccc(C#N)s3)ccc2OC(F)F)cc1	486847034	POPUJHORIHRPNE-UHFFFAOYSA-N	400.406	5.149	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)cc1	487323382	RBSCLABPDGXEAE-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1nnc(-c2c(Cl)cccc2Cl)o1	489742587	TUVKMCCCACIFIS-GFCCVEGCSA-N	419.337	6.050	30	20	HKED	
CC(C)CCn1ncc(NC(=O)c2ccccc2-c2ccccc2C#N)c1C(C)C	490536884	TVTGKKDWNNHSJN-UHFFFAOYSA-N	400.526	5.844	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN[C@H](c2cccnc2)c2cc3ccccc3o2)cc1	498761841	AXFIQKKCLCIZCF-MUUNZHRXSA-N	415.496	6.246	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC=C(c4cccc5ccccc45)C3)cc2)nc1	501618739	WOOCUUGUCHIXSC-UHFFFAOYSA-N	417.468	5.438	30	20	HKED	
CC[C@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)c1ccccc1	502290153	FPMXMGZNTMXROU-HXUWFJFHSA-N	400.526	5.004	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	505336438	BUWINKOBBVPUSR-VSKRKVRLSA-N	402.519	5.120	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1cccc(Cl)c1Cl	505347132	ZNZRWDHDLMIYTR-INIZCTEOSA-N	420.296	5.180	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c12	505458146	RLWWKWMIFBIRGP-AWEZNQCLSA-N	412.405	5.067	30	20	HKED	
CC(C)Sc1cc(Br)ccc1CN(CCC#N)Cc1ccccn1	507803368	KDNSHFLEQLEPRN-UHFFFAOYSA-N	404.377	5.260	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)s2)cc1	509649169	KXRRXRHGEBGGKM-UHFFFAOYSA-N	422.941	5.455	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2Br)c1	513498141	FOYHCIQDBWJOFY-UHFFFAOYSA-N	407.267	5.152	30	20	HKED	
CCCN(C(=O)c1ccccc1NCc1ccc(Br)cc1C#N)C(C)C	516682112	XYIKAQYWUYAMTR-UHFFFAOYSA-N	414.347	5.193	30	20	HKED	
C=CCn1c(SCc2ccc(SC)c(OC)c2)nnc1-c1ccccc1F	517588282	SMGZYRUSANKXON-UHFFFAOYSA-N	401.532	5.293	30	20	HKED	
CC[S@](=O)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	517820029	ALTQJHOLJLPGOZ-WRONEBCDSA-N	422.937	5.375	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	517841425	MSKIKVAJTRJEBR-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1	518667712	JPYXWNDNZBJSCX-OALUTQOASA-N	415.562	6.044	30	20	HKED	
CN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	520600946	WRPVCBRDBKWTLZ-UHFFFAOYSA-N	405.429	5.032	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1	520940155	GXYWHAAEUCWJLM-HNNXBMFYSA-N	406.511	5.649	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2CCc3cc(C)ccc32)cc1OC	521830847	ZPIHZXJHIIQUOL-IBGZPJMESA-N	402.332	5.108	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	521887415	RPTPRLUJEXUGNR-MRXNPFEDSA-N	412.114	5.070	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1	522576880	JNJKJYLTLQGNQI-UHFFFAOYSA-N	414.852	5.442	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)c1cccc(OC(F)(F)F)c1	533272048	ZMVUFZYQAKOURE-AWEZNQCLSA-N	423.460	5.054	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cccc([C@@H]4CCOC4)c3)c2)cc1	535617323	NGIPLCGUWPJCTA-HSZRJFAPSA-N	412.489	5.088	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@H](C)C#N	538190091	LONHZHVJQFXBAF-CQSZACIVSA-N	415.540	5.599	30	20	HKED	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(Cl)c(C#N)c1	538269228	WPOKTMJTVHTZHQ-UHFFFAOYSA-N	424.715	5.009	30	20	HKED	
Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)oc2c(Br)cccc12	541076176	UWRJUPPBPGWFBE-UHFFFAOYSA-N	413.271	5.439	30	20	HKED	
Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541175462	MWIQYTYECIQTPE-ROUUACIJSA-N	424.573	6.464	30	20	HKED	
Cc1nccc(NCc2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)n1	541731588	JMNVFFWUBMORFB-INIZCTEOSA-N	417.538	5.044	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N1CCC[C@H]1c1cccs1	543862941	YCGZEWGIMYTZRL-LRDDRELGSA-N	410.486	5.483	30	20	HKED	
Cc1nc(-c2noc(-c3sc(-c4ccc(OCC(C)C)c(C#N)c4)nc3C)n2)co1	565564661	GSJRQWXDWPTOOA-UHFFFAOYSA-N	421.482	5.038	30	20	HKED	
Cc1cccc2cc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc12	576071353	SPNXIFDOIKKGKV-CQSZACIVSA-N	419.531	5.289	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)cc1Cl	578788771	IQGIMHGWWCJBTB-QFIPXVFZSA-N	422.912	5.035	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CCC[C@@H]1C(F)F	579145713	MAWSBEGXEKAHJQ-SNVBAGLBSA-N	404.351	5.324	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](C)c1cccc(C#N)c1	586778340	UZFLIIZVRGQYOS-CHWSQXEVSA-N	409.839	5.298	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n1	587988793	QYKXDMBYVKTTBM-KRWDZBQOSA-N	422.506	6.119	30	20	HKED	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	590668783	APRCOSXHVHUJPP-JHJVBQTASA-N	421.303	5.312	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(COc2ccc(Cl)cc2Cl)o1	604491178	VVJXKTAPMKHBPV-AWEZNQCLSA-N	406.294	5.182	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](CC)c1ccc(F)cc1F	606150365	QCLAADJGVLHGRP-IBGZPJMESA-N	419.472	5.704	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccccc1Cl	609387485	HUCQRTQINVEHHV-OAHLLOKOSA-N	420.987	5.485	30	20	HKED	
CCOCCCn1c(S[C@H](C#N)C2CCCCC2)nc2cc(Cl)ccc2c1=O	609648746	VEHIAHVWMHJDJU-LJQANCHMSA-N	419.978	5.041	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C	610053838	YRXGHHOPGJLQHO-OALUTQOASA-N	424.426	5.122	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	610321313	PRYKAMJQHXBSPX-HSZRJFAPSA-N	412.493	5.813	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(COCc3ccc(OC)cc3)c2)cc1	620589760	RGZXCMFQDWBGGZ-UHFFFAOYSA-N	403.478	5.229	30	20	HKED	
O=C(CCOc1ccc(F)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485523	PRTGVKCIWHKCLF-MRXNPFEDSA-N	409.301	5.033	30	20	HKED	
C=C(C)[C@H](NCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(F)c(F)c1	681464609	GFUKJPYASBQDNW-SFHVURJKSA-N	409.358	5.039	30	20	HKED	
Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C2CC2)n1	685784412	HMFPSBBLPFMCQR-CYBMUJFWSA-N	417.321	5.218	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)N[C@H](C)c1cccs1	726485387	OZUNWIXPHHYKCZ-MRXNPFEDSA-N	409.555	5.710	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1	728466371	SITUKIVSUYXAJF-FCHUYYIVSA-N	408.423	6.017	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccccc2COc2cccc(C=O)c2)c1	731611993	QHGRGPWKKAFNJL-UHFFFAOYSA-N	414.461	5.013	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)ccc1OC	733232572	UJDFPQBXIPWEAO-DZGCQCFKSA-N	421.324	5.103	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(COc3ccccc3)c2)cc1	733626887	ZRWICIXPTDEVGS-UHFFFAOYSA-N	416.481	5.217	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1	733656793	PJAGZFUHRHDRSL-RTWAWAEBSA-N	409.530	5.059	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(-c3c(F)cccc3F)o2)cc(OC)c1OC	734366400	QFDORAGFFYXKQZ-VQHVLOKHSA-N	400.377	5.147	30	20	HKED	
COc1cc(C(=O)/C=C\c2c(-c3ccccc3)nn(C)c2Cl)ccc1OC(F)F	734753017	NUOGKTYOFKPCGH-KTKRTIGZSA-N	418.827	5.247	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)NCCCCOCc3ccccc3)c2)s1	740045073	FFMHGSDXRLAILI-UHFFFAOYSA-N	419.550	5.083	30	20	HKED	
CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	747540052	YDOXQBIQJXGOKB-FQEVSTJZSA-N	416.550	5.341	30	20	HKED	
Fc1ccc(-c2csc3ncnc(NN=C4CCC5(CCOCC5)CC4)c23)cc1	751523116	WPOQFTYJEROPPG-UHFFFAOYSA-N	410.518	5.636	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc(F)cc(F)c2)cs1)c1ccc(F)cc1F	755703435	AZQIKTLQKVJNAW-HYXAFXHYSA-N	420.387	5.280	30	20	HKED	
N#CC1CCC(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1	755966653	SGIUJAJTOVJAHU-UHFFFAOYSA-N	422.312	5.239	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	767885054	WVZXTNZOVSCRQG-ZBFHGGJFSA-N	403.404	5.018	30	20	HKED	
N#C[C@H](C(=O)c1ccc(N2CCCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1	777311612	FFUSRPXGMDHRHS-QGZVFWFLSA-N	423.488	5.569	30	20	HKED	
O=C1/C(=C\c2ccc(F)nc2)CCc2nc(-c3ccccc3Br)sc21	777468408	XBGPBPVLSQJCQG-XFXZXTDPSA-N	415.287	5.319	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(Br)cc(C(F)(F)F)c1	780176275	JQDNASKJXVNZFL-SNVBAGLBSA-N	413.193	5.011	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1O[C@@H](C)C#N	780671894	WTXOCDUMHNXOLI-HNNXBMFYSA-N	416.319	5.182	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc1Cl	789354678	GEWZLKLTNYRERM-UHFFFAOYSA-N	424.929	5.198	30	20	HKED	
COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)ccc1C#N	799494942	ILBUUNKTXAKATC-RQZCQDPDSA-N	419.893	5.681	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C2=CCCC2)cc1	811257323	CDNLFMIOVIIGLI-QGZVFWFLSA-N	420.534	5.444	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccccn2)cc1Cl	813410000	LKRARHHYHGNEGN-GOSISDBHSA-N	413.868	5.033	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1	915086891	OEVVGISGTQBTMR-FQEVSTJZSA-N	415.543	5.708	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1	915097896	FALJXTPJMKWWJP-OAHLLOKOSA-N	424.888	5.132	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1	919966057	VIJYLIVEOPTING-RSXGOPAZSA-N	409.533	5.193	30	20	HKED	
CCOc1ccccc1CCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	920144204	YTALFXQBSAAOSN-IBGZPJMESA-N	406.507	5.026	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3C)cc2)CCC1	1789965167	UNYKEQXTJYVZRG-JOCHJYFZSA-N	417.553	5.215	30	20	HKED	
C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCc1ccccc1)C2	1804189294	IVLJPMIQTSTSOQ-QEIWAGNOSA-N	422.613	5.011	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816693700	NVJJJGGATAYGES-HXUWFJFHSA-N	414.594	5.365	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2C)CC1	1824141434	QVLQKRFTNYFBSU-QFIPXVFZSA-N	414.615	5.058	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccs3)n2Cc2ccccc2)cc1	7426695	BCQBCBXAXMXDNS-FQEVSTJZSA-N	416.575	5.590	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccccc3)on2)nc2sc(C)c(C)c2c1=O	7477112	LOBQRMJPOGEUAW-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1	10613281	AHHBSCAHZKRXRN-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2cccc(C)c2)cc1	22730219	KCXGRFYPPCXYIP-UHFFFAOYSA-O	419.570	5.349	30	20	HKED	
Cc1nc2ccccc2nc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	29284090	IVFXOPSPWZLLRB-UHFFFAOYSA-N	419.554	5.074	30	20	HKED	
C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)nnc1-c1cccc(C)c1	29830552	ISZXHNYJNLXAQI-IBGZPJMESA-N	420.582	5.026	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1-n1cccn1)c1nc(-c2ccc(Cl)cc2)cs1	51156396	WJPRMUWRYZKJNH-QGZVFWFLSA-N	404.882	5.139	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(=O)c4ccccc4[nH]3)cc2Cl)cc1	56134043	VNPWXHILEFASAS-UHFFFAOYSA-N	415.836	5.098	30	20	HKED	
COc1ccccc1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	107876201	QUPWJTNNQCJSMG-OAQYLSRUSA-N	404.897	5.575	30	20	HKED	
C=C(C)Cn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccncc1	301716082	NCVPEGZIIYIICZ-UHFFFAOYSA-N	411.840	5.135	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2)cs1	301760835	KIWCOWFPZOTAEF-LLVKDONJSA-N	407.676	5.309	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c(C)n1Cc1ccccc1	303357543	GOKCAAQNKZWALO-FQEVSTJZSA-N	412.320	5.455	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)Cc1cc2ccccc2nc1O	303499934	UUXXIMRRLNGGQU-UHFFFAOYSA-N	401.279	5.030	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	303939119	YMHVTURMXMXLOU-GJZGRUSLSA-N	406.473	5.917	30	20	HKED	
CN(CCCC1(C#N)CCOCC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	410408406	QYQJPKVIIIRULH-UHFFFAOYSA-N	417.380	6.115	30	20	HKED	
Cc1cccc([C@@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)c1C	432197204	WQMWWFYDOKYWBL-QHCPKHFHSA-N	403.526	5.038	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c(C)c1	432718147	JUTVZXREDOIHDP-KRWDZBQOSA-N	409.555	5.505	30	20	HKED	
CSC[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	432872988	PPHAHWNIGDUSAF-HXUWFJFHSA-N	409.555	5.053	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3occc3Br)cc2Cl)cc1	433395624	AYGIHEKGZPWRHO-UHFFFAOYSA-N	417.646	5.612	30	20	HKED	
COC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	434740227	VRERSOXLSONLKA-NRFANRHFSA-N	414.914	5.037	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2cn(C)nc2-c2ccccc2Cl)cc1	437251240	ZHTCVNYJGBUELA-UHFFFAOYSA-N	420.944	5.167	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	438036629	HMQJOAJQULWWNO-VCOUNFBDSA-N	407.583	6.189	30	20	HKED	
C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1csc(C)n1	460374260	GZTBRIRQXUSMLM-OAQYLSRUSA-N	423.586	5.156	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)CCc1ccccc1F	463105892	MMCMTSHMKTZOMT-MRXNPFEDSA-N	403.457	5.401	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)c2)cc1	463879416	PWGBNNLEKQQMAL-UHFFFAOYSA-N	422.444	5.530	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cnccn2)nc2sc(-c3ccccc3)c(C)c2c1=O	464438414	TVBDHIRIYSZDLE-HNNXBMFYSA-N	420.563	5.263	30	20	HKED	
C=CCCN(C)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	466760340	HEXDXUASIJHQBR-ZDUSSCGKSA-N	408.365	5.160	30	20	HKED	
CCOc1cccc2cc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)oc12	468945552	JSPRMKCOTBRLNL-KRWDZBQOSA-N	417.509	5.588	30	20	HKED	
C[C@H]1SCCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H]1c1ccccc1	469413875	KPUZNPPFPJFMOL-JPYJTQIMSA-N	403.551	5.264	30	20	HKED	
C=CC[C@H]1N(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CCCC1(C)C	470302490	MANPVYGKDBWNET-LZBANZJXSA-N	402.623	5.225	30	20	HKED	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c12	474448570	SHHXFHRCJOBOLI-QGZVFWFLSA-N	415.522	5.014	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1	475565250	DBYQKSDIJUYJNW-NRFANRHFSA-N	422.960	6.437	30	20	HKED	
C=CCn1c(SCc2cccc(C(F)F)c2)nnc1[C@@H]1COc2ccccc2O1	475956051	ILKJGFXHRCVZHG-SFHVURJKSA-N	415.465	5.207	30	20	HKED	
N#CCCn1ccc(NC(=O)N[C@@H](CCCCc2ccccc2)c2ccccc2)n1	478710605	ANDUJVVETDSSPP-QFIPXVFZSA-N	401.514	5.073	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1	482025757	OGFPOAARTDHWNO-UHFFFAOYSA-N	415.543	5.490	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(Br)s3)c2)cc1	482583932	UXXJPXTZJYADPQ-UHFFFAOYSA-N	413.296	5.105	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1	487571701	XYRUQFJLYLHOQB-XMMPIXPASA-N	424.504	5.078	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F	490780023	DGSKADKJTFEJBS-FQEVSTJZSA-N	414.431	5.265	30	20	HKED	
C[C@@H](C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1c(F)cccc1F	493381983	CFYCCDYMQSXDIF-RFAUZJTJSA-N	409.301	5.090	30	20	HKED	
C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccccc1Sc1ccccc1C#N	494795811	RTPYSHOEFSXBAM-QGZVFWFLSA-N	402.519	5.166	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	497160995	KQGSZSNNONBOPY-RTWAWAEBSA-N	420.513	5.177	30	20	HKED	
CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1	499531388	WBAYALUGSDSSNW-HXUWFJFHSA-N	406.404	5.067	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1F	499595956	XRIGNFPHFSULGO-INIZCTEOSA-N	421.447	5.493	30	20	HKED	
Cc1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)ccc1C(=O)NC(C)C	500699923	SYXNAUBRCUUOSE-UHFFFAOYSA-N	413.521	5.196	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)n2)c1	501176338	PSICXBBONFLURU-UHFFFAOYSA-N	423.925	5.022	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1	502088215	APIHBDBNUXRTFQ-CJAUYULYSA-N	411.505	5.033	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	504907739	GQOPFPYRNKGTFI-FUHWJXTLSA-N	421.394	5.070	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1c(Cl)cccc1Cl	505511427	DGNLZOMWPNLEAL-OAHLLOKOSA-N	401.215	5.483	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc1	510744464	HDULVZGVLFFAJV-IBGZPJMESA-N	421.541	5.171	30	20	HKED	
CN(CCc1nccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	510824757	KYQNYCHVHCIETO-UHFFFAOYSA-N	412.902	5.167	30	20	HKED	
CC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(Cl)s1	512229321	YSLBGTMQPMMCGK-OAHLLOKOSA-N	416.959	5.593	30	20	HKED	
Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1NC(=O)c1ccccc1	515033313	PTWGUZHRXKYXSA-UHFFFAOYSA-N	411.505	5.422	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1	515375074	UKXARVZONSKQJA-UHFFFAOYSA-N	416.550	5.092	30	20	HKED	
Cc1ccc(OCCN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	517530063	KDPHFRWJEQXHRH-UHFFFAOYSA-N	401.466	5.202	30	20	HKED	
C=CCn1c(SCc2noc(Cc3ccccc3)n2)nnc1-c1ccc(Cl)cc1	517583792	FPOSNWUKSKZCIK-UHFFFAOYSA-N	423.929	5.051	30	20	HKED	
Cc1ccccc1OCCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	517835448	DWNSYAXIFLJXAQ-UHFFFAOYSA-N	416.546	5.358	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(SCc3ccccc3)cc2)n1	518662369	AQYQYNSXDPJGRM-GOSISDBHSA-N	422.531	5.102	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc(C)nc21	518709298	RWKVDLYAFQHZHL-HRAATJIYSA-N	403.530	5.003	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc(OC)c1OC	521253857	IWAFQTWKWNBMCD-GOSISDBHSA-N	416.521	5.858	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12	521485707	MFIWECQYALRKCD-UHFFFAOYSA-N	424.570	5.669	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCC2)n1	522843344	ODFQRXUHTDTMOW-OAHLLOKOSA-N	400.573	5.437	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)[C@H](C)Oc3ccccc3C#N)s2)cc1	523495096	LDDGISRAGTVJLN-MSOLQXFVSA-N	419.550	5.286	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cs2)cc1	524033273	MYCOCZDIDMEDNC-QGZVFWFLSA-N	416.506	5.274	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c[nH]c3c(C)cccc23)cc1	524940695	GBHOGECYMNTWHA-UHFFFAOYSA-N	411.461	5.330	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccccc2Cl)nc1	531307645	YFWQVGARPLAKQM-OAHLLOKOSA-N	423.925	6.174	30	20	HKED	
COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	535611843	HWQBXMVBXSZDSC-ZWKOTPCHSA-N	411.571	5.432	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)on1	536410272	RQAGYOYPTVGRND-GOSISDBHSA-N	407.857	5.278	30	20	HKED	
C=CCN(C(=O)[C@H]1CCO[C@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	539552743	RXPDTZIZEHDBPN-OCCSQVGLSA-N	411.354	5.451	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)c1	540061273	AWXANEQTBLPUTA-UHFFFAOYSA-N	415.280	5.114	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1	541070997	QQJPLTZETDIKPX-MSOLQXFVSA-N	412.537	5.761	30	20	HKED	
CN(CCc1ccccc1O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	541419352	HTUUMEQBCCTXMC-OAQYLSRUSA-N	419.912	5.407	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1	543878294	PHMAHEWHBVACFS-OAHLLOKOSA-N	424.382	5.344	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1CSC	544799679	SHGORHQHBRYLMQ-UHFFFAOYSA-N	423.351	5.671	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C	549023009	IWCAQYCHQHECDA-QFIPXVFZSA-N	416.550	5.122	30	20	HKED	
C=C(C)[C@@H](CC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1)OCC	550315472	LWESVEONEIWMRG-GOSISDBHSA-N	400.931	5.986	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1	552158285	KUJPRSJIPCUFPV-HNNXBMFYSA-N	405.281	5.065	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1	554837021	KPQBURKVRNIPFE-TZIWHRDSSA-N	420.900	5.003	30	20	HKED	
N#CC1(N(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)C2CC2)CCC1	556452285	JVDHQYZUDKFSKC-UHFFFAOYSA-N	402.281	5.232	30	20	HKED	
CCC(=O)c1cccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1	561229365	MWXBIJXHNVBTMC-UHFFFAOYSA-N	409.917	5.050	30	20	HKED	
N#Cc1ccc(CNCc2ccc(COCc3ccccc3)cc2)c(C(F)(F)F)c1	570731158	IFXMKEXUNRRXRF-UHFFFAOYSA-N	410.439	5.584	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1ncc(-c2ccccc2Br)o1	574209646	SXOFNAUFGYSPMN-UHFFFAOYSA-N	413.315	5.301	30	20	HKED	
Cc1cc(O)nc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc12	579875869	IJNKDUCUGKKAGF-UHFFFAOYSA-N	423.472	5.146	30	20	HKED	
Cc1cc(C(C)(C)C(=O)Nc2nc(C)c(SCC#N)s2)ccc1Br	582270440	AFZCSWIBWYHRFS-UHFFFAOYSA-N	424.389	5.054	30	20	HKED	
N#CC[C@@H](Cc1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1)c1ccccc1	582512153	UHPXJQBMWQTOGH-QFIPXVFZSA-N	419.488	5.375	30	20	HKED	
N#Cc1cc(NC(=O)c2cccnc2SCc2ccc(F)cc2)nc2ccccc12	583896664	JCMIDIKCQUZFSI-UHFFFAOYSA-N	414.465	5.185	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)c1	586776348	JJYOAFFIUIUCSO-UHFFFAOYSA-N	407.926	5.355	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc(C3CC3)nc21	592974673	WURLKPCNQMTMDK-HNNXBMFYSA-N	419.485	5.128	30	20	HKED	
CC(C)CN(C(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(C#N)cc1	603529046	QEWHOLHDGKVQEC-UHFFFAOYSA-N	409.942	5.567	30	20	HKED	
Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	603891759	WPRBMOMTWPCTBS-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cn2)cc1	604085880	DXNASIDMDIZFOB-NRFANRHFSA-N	416.456	5.124	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(O)nc2cc(F)ccc12	606757128	YCCCJEMDFALJFA-UHFFFAOYSA-N	418.268	5.369	30	20	HKED	
CSc1ccc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	609111511	KYBODKSNSCZDBD-UHFFFAOYSA-N	406.482	5.559	30	20	HKED	
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208911	QADVGKQTUGIFMJ-UHFFFAOYSA-N	415.449	5.133	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609263492	UBSDQWIUPVSQJK-JOCHJYFZSA-N	416.477	5.106	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N	609377243	SCZJZVCKMNDWIX-OAHLLOKOSA-N	408.548	5.928	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nnc(-c2ccccc2)o1	609387110	MJMGSVFIERWCEO-CYBMUJFWSA-N	418.444	5.934	30	20	HKED	
CN(CCc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609503480	VNWXSFRQJQWVPR-UHFFFAOYSA-N	407.473	5.213	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1	609909455	JQCLCRTYUNTINO-FDDCHVKYSA-N	414.480	5.295	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	610019571	UHFFEAGPQGRASS-IBGZPJMESA-N	413.477	5.381	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	610530699	XOAUYHUWDGEWJD-HRAATJIYSA-N	404.901	5.316	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1Cl	611356404	ZUPDLFZCYQUSRW-ROUUACIJSA-N	424.928	5.283	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1	611386576	OHDVFTUXSICINT-KRWDZBQOSA-N	404.539	5.167	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346167	FNIKDLGUDAPSKP-SNVBAGLBSA-N	413.738	6.322	30	20	HKED	
COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	613404409	MAKVYYWVFXGOKE-LBPRGKRZSA-N	410.804	5.467	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1	615192137	XNVVAQOTLPHHPI-UHFFFAOYSA-N	412.917	5.220	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(F)(c4ccccc4)CC3)cn2)cc1	618981091	UYWOZSCHWCGUTI-UHFFFAOYSA-N	416.456	5.238	30	20	HKED	
C[C@]1(C#N)CCCN(c2nnc(-c3ccc4ccccc4c3)n2Cc2cccs2)C1	619855015	DHVKXNPGNOBYDE-XMMPIXPASA-N	413.550	5.338	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	620567932	VAPXHHRISNNMNG-SNVBAGLBSA-N	418.371	5.057	30	20	HKED	
C=CCN(C(=O)c1ccc(OCCC)c(OCC)c1)c1nc2c(s1)CCCC2	623331772	PZVKBIXXNQWVIE-UHFFFAOYSA-N	400.544	5.042	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)NC(C)(C)CC)C(C)C)nnc1-c1ccc(Cl)cc1	639428492	WOMKBAGAXUMNCM-QGZVFWFLSA-N	421.010	5.206	30	20	HKED	
CC[C@H](C)Oc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1	679092367	RLZQGSJNJHORQB-FZMZJTMJSA-N	419.428	5.377	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1	726957252	AIDYCSVLSGUCPX-ZRDIBKRKSA-N	423.925	5.798	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCCc1ccc(C(C)(C)C)cc1	727037989	BVKPTEIWBSXMDK-FQEVSTJZSA-N	406.526	5.053	30	20	HKED	
CCOC(=O)CCOc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)cc1	727267435	UBJPPZZKDCKPTF-SEYXRHQNSA-N	407.491	5.038	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1c(F)cccc1F	728062149	GGXBOCBIJNZJRF-MRXNPFEDSA-N	421.447	5.163	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SC(F)(F)F)CC2)cc1	729035481	KPKFRNDIBRJHOM-UHFFFAOYSA-N	421.444	5.245	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	729420991	UYAGBHCACUXVBA-QTJNJRLBSA-N	403.482	5.028	30	20	HKED	
CCOc1ccccc1Nc1nn(CN(CCC#N)CC(C)(C)C)c(=S)s1	729467740	AQAKQACOKRBGJJ-UHFFFAOYSA-N	405.593	5.036	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2o1	730070832	BKOQNNBBEWXWHI-FQEVSTJZSA-N	416.864	5.479	30	20	HKED	
CC(=O)N(c1nc(/C=C2\Cc3ccc(C)cc3C2=O)cs1)c1ccc(F)cc1F	730948981	NNFZVZITDRIXTF-OQLLNIDSSA-N	410.445	5.237	30	20	HKED	
COc1ccccc1Oc1ccc(CNC(=O)c2ccccc2SCC#N)cc1	732133775	LFSYXCMRTPHRGW-UHFFFAOYSA-N	404.491	5.033	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)c1	733807308	UPRJARGJANRVRG-PBHICJAKSA-N	420.340	5.577	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1)c1ccncc1	734234609	RRNIDKAVGUZXQH-HXUWFJFHSA-N	420.513	5.036	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1nc(-c2c(F)cccc2F)cs1	734711055	UYCWXMFSXBNYIT-CQSZACIVSA-N	411.408	5.128	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)CSCc1ccc(C#N)cc1	739588567	AKUNBQNHCGAXEO-QGZVFWFLSA-N	422.575	5.452	30	20	HKED	
CCOc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OCC	740430684	QDIJQYVVGLBMKJ-UHFFFAOYSA-N	421.522	5.406	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CC2	741849800	ZYUTUAGNCNLPTC-PDGQHHTCSA-N	418.518	5.357	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)ccc1OC	741851598	AZYVEXHICPMVNQ-SAYIFAPPSA-N	415.493	5.134	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nccn3CC(F)(F)F)cc2Cl)c1	742261442	JVXWPQCPNGUQDI-UHFFFAOYSA-N	420.822	5.162	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)c1ccc2c(c1)COC2	742434333	FVEHHLIITJRPHA-HJWRWDBZSA-N	413.304	5.473	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1c(Cl)nc2sccn12	743445273	MMIQFWLMCVRLAD-UHFFFAOYSA-N	415.853	5.514	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ncc(-c2ccccc2)o1	743475312	RIOONUMYRKYWNA-KRWDZBQOSA-N	413.452	6.104	30	20	HKED	
C=CCC[C@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1	749942986	FWBDAKWEJDGGJQ-OALUTQOASA-N	403.400	5.131	30	20	HKED	
COc1cccc(O)c1C=Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	751522702	IAYQNHYEYAHOCS-UHFFFAOYSA-N	405.841	5.540	30	20	HKED	
COc1ccc2c(c1)CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)C2	752486061	UWOAXXSPMSUJNW-UKILVPOCSA-N	411.505	5.030	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1	755608975	CFHYNJSPCKWZFL-DYVFJYSZSA-N	409.442	5.146	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCc2ccc(C#N)cc21	757544851	PUZHAKLMVBKYFY-UHFFFAOYSA-N	413.477	5.261	30	20	HKED	
C#CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1	757779952	YZBRCKQIEPJAPI-RUZDIDTESA-N	411.480	5.174	30	20	HKED	
C=CC[C@H](N[C@H](C)c1ccc(Br)cc1Br)c1ccncc1	766022046	VVDIPEZWEZZYPO-PXAZEXFGSA-N	410.153	5.575	30	20	HKED	
Fc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccccc3Cl)cs2)cc1	767031831	BUFUTQMBDKYFKR-UHFFFAOYSA-N	415.906	5.032	30	20	HKED	
C[C@H](NCc1cc(Cl)ccc1OCC#N)c1cccc(OCc2ccccc2)c1	769862520	BIKXANFHGCMTRL-SFHVURJKSA-N	406.913	5.672	30	20	HKED	
CCC(CC)n1ccc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)n1	771183576	RUPWXHTUIAGSEF-UHFFFAOYSA-N	415.541	5.295	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc2nc(Cl)sc2c1	772865104	SVMRBPOEELLRIJ-LLVKDONJSA-N	423.972	5.002	30	20	HKED	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	773799959	YQGHRNMUVKGZBT-MAUKXSAKSA-N	403.482	5.531	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1	775723839	WIUQHVAXDPSJTA-CQSZACIVSA-N	418.478	5.169	30	20	HKED	
O=C1/C(=C/c2ccccc2OCc2ccccn2)CCc2ncc(C(F)(F)F)cc21	777467011	IABNTVQKYKCVKR-LFIBNONCSA-N	410.395	5.287	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782612005	GWTLZDIDQOTGFA-ROUUACIJSA-N	410.477	5.399	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1	785751680	FTWFIQXKQJIIBE-UHFFFAOYSA-N	411.505	5.049	30	20	HKED	
C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)F)cc1)c1ccc(Cl)cc1Cl	787050210	BZGVIDYCODKNFQ-BMIGLBTASA-N	411.235	5.131	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C\c2csc(-c3ccc(OC)cc3)n2)C(=O)c2ccccc21	802706760	YHGASMKHLMCMLY-CZIOWHBQSA-N	419.502	5.135	30	20	HKED	
Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](CCCC#N)c1ccccc1	817318539	CKTORMYXBWAFJO-AWEZNQCLSA-N	413.490	5.157	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)c2C#N)C1	875452439	ZAUIGOUTWMUZCT-UGSOOPFHSA-N	408.523	5.011	30	20	HKED	
O=C(Nc1cc(F)ccc1C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)c1ccoc1	901379642	ALSHRTYHKFNGDA-UHFFFAOYSA-N	423.227	5.009	30	20	HKED	
Cc1ccc(Sc2ccc(NC(=O)c3ccccc3SCC#N)cc2)c(C)c1	906451904	KCSTWAOCRXRQOG-UHFFFAOYSA-N	404.560	6.323	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1	916050464	AOKFFFYCPZYNOA-HSZRJFAPSA-N	412.880	5.433	30	20	HKED	
COc1cc(C(C)=NNc2ncc(C(F)(F)F)cc2Cl)ccc1OC(F)F	916286382	AAMLTCZUNDIUSG-UHFFFAOYSA-N	409.742	5.200	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)CCCC2	916906073	RCYOQYIVJDQYDJ-JOCHJYFZSA-N	410.473	5.319	30	20	HKED	
N#C[C@H](C(=O)CCn1ccc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	916977499	SVJRUHNHSRKLMK-GOSISDBHSA-N	405.910	5.685	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc(-c2ccccc2)cs1	917025835	QIRAPWMNTARQRR-OAQYLSRUSA-N	414.530	5.528	30	20	HKED	
Cc1ccc(/C=C\S(=O)(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	917749017	HFTHARQMOGTSFA-PEZBUJJGSA-N	418.518	5.053	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(C)on3)CCC2)cc1	1785843104	RRBKEAKUPMOURG-OUKQBFOZSA-N	421.541	5.123	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](C)c3ccccc3)CCC2)cc1	1791583756	HRYBKCIYQHTHKS-FQEVSTJZSA-N	402.538	5.118	30	20	HKED	
N#CCCn1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21	21193550	HKSKJXBTZBDSIM-XDHOZWIPSA-N	407.495	5.100	30	20	HKED	
C=CCn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccccc1	31645538	YBLTVGDKUHRCJQ-UHFFFAOYSA-N	404.564	5.471	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c3c(C)noc3n2)c(C)o1	41542159	XVLYXTKXWXSJKX-MRXNPFEDSA-N	412.405	5.039	30	20	HKED	
CCC(CC)c1nnc(/N=C(\O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)s1	51586437	PMCLNRALPRSCCE-ROUUACIJSA-N	402.564	5.087	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2cccs2)o1	55096732	OYDPAMABPDYHMM-UHFFFAOYSA-N	400.459	5.711	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)c2cccc(CC#N)c2)n(-c2ccc(C)cc2)n1	195624915	IZNXFTDZJFKIEC-UHFFFAOYSA-N	422.488	5.175	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1	237214512	RNQCAFVBRZNUTK-HHHXNRCGSA-N	411.549	5.241	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1cccc(OC(F)F)c1	303596359	JBZLNISJOPPGAL-MRXNPFEDSA-N	422.431	5.230	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2(c3nccs3)CCCC2)c1	303699710	XAFYCEMCFVLWRA-UHFFFAOYSA-N	423.925	5.660	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2CC(=O)Nc2sccc2C#N)nc1-c1ccccc1	427005347	RCTRAPMSHQPJQY-SFHVURJKSA-N	420.538	5.174	30	20	HKED	
Fc1ccc(F)c([C@H](NCc2nc(-c3cccc(C(F)(F)F)c3)no2)C(F)F)c1	434683457	CUHHGHHWNSPCQB-HNNXBMFYSA-N	419.300	5.130	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cnccc1-c1ccccc1	434756458	NAMQKNUWFYUESA-KRWDZBQOSA-N	403.507	5.160	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	435734045	XQENHBXGPVJZLU-QGZVFWFLSA-N	410.823	5.121	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	437505385	FLCKRJUGCFQHKX-JOCHJYFZSA-N	416.550	5.673	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[C@H]1c1ccccc1	437860523	GKFMGVAMZXPZOV-DNVCBOLYSA-N	417.431	5.157	30	20	HKED	
Cc1cnc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)s1	438220978	VLOIKLGTOCADDJ-HXUWFJFHSA-N	404.495	5.388	30	20	HKED	
C[C@H](SCC(=O)NC1(C#N)CCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	438875136	MYQLHRSRKDDEOW-JTQLQIEISA-N	410.383	5.081	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1	439394128	FNWROBZVTLOYCG-RUZDIDTESA-N	424.504	5.612	30	20	HKED	
N#CC1CCC(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1	441133376	GLVRNQLOKSMNPY-UHFFFAOYSA-N	413.861	5.100	30	20	HKED	
COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(Cl)c1O	442953984	CHHSCPIQUASXAG-UHFFFAOYSA-N	422.868	5.066	30	20	HKED	
COc1ccc(CNc2ccc(C(=O)NC3CCCCC3)cc2)cc1OCCCC#N	446882965	CWIFYCNFTFAOHJ-UHFFFAOYSA-N	421.541	5.052	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F	460461086	PCIVANNPAUWAGB-INIZCTEOSA-N	407.329	5.453	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccc(C#N)cc1C	464232389	IHYJBIGNOIBZJE-UHFFFAOYSA-N	403.869	5.333	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nc(-c2ccccc2)cs1	467092395	NDWYBWBQDVKMPJ-FQEVSTJZSA-N	415.905	6.016	30	20	HKED	
CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccccc1-c1ccccc1C#N	467124746	IYLUQMCVAJQGTM-UHFFFAOYSA-N	412.489	5.362	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	472753051	PFFLYALCFFPWQJ-WEYGHZABSA-N	409.555	5.289	30	20	HKED	
Cc1ccc(C)c([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	474234851	UFTZVOZMGLHOPC-DENIHFKCSA-N	407.583	5.473	30	20	HKED	
C=C(C)COCCNC(=O)c1ccccc1SCc1ccc(Br)cc1	475375156	XOKBNDHTEDGDHD-UHFFFAOYSA-N	420.372	5.064	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2)cc1OCCOC	476114924	ZTRGBESVBAXUIC-UHFFFAOYSA-N	419.525	5.002	30	20	HKED	
CCN(c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cn1)C(C)C	478082421	WGKNSICLHRDALI-IBGZPJMESA-N	404.539	5.238	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)c2)cc1	481948721	XDJYHADASROOKG-UHFFFAOYSA-N	420.852	5.418	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C	482583543	QWIRKCDVLVDXBJ-HNNXBMFYSA-N	424.382	5.046	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1cnc2ccccc2n1	483202547	TZSALKDETNJCLI-AWEZNQCLSA-N	407.351	5.399	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)cc1	484128675	GCRYWTIQJAWMRD-UHFFFAOYSA-N	422.431	5.716	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1	485736601	QTGXEPRIUBBMTJ-UHFFFAOYSA-N	423.875	5.307	30	20	HKED	
Cc1nc(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)sc1SCC#N	486024914	AQAXSVAUISLMBH-UHFFFAOYSA-N	411.474	5.047	30	20	HKED	
N#CCCN(C(=O)c1cnc(Cc2ccccc2)s1)C12CC3CC(CC(C3)C1)C2	486592803	WQXBEQMVQLTJRG-UHFFFAOYSA-N	405.567	5.059	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2F)nc1	490240786	IKUROZZAZSFRGU-CTNGQTDRSA-N	416.456	5.317	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(F)cc2F)nnc1[C@H]1COc2ccccc2O1	497671467	OEZNAWKTWRMEJB-ORAYPTAESA-N	415.465	5.108	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)c2)cc1	499582105	BDRHLPUWJSQQPS-UHFFFAOYSA-N	413.408	5.326	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccccc1OC(C)C	500773653	SSXKARZAEIRGRO-UHFFFAOYSA-N	400.478	5.627	30	20	HKED	
N#CC1(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CCCCC1	504818447	KFSTUDOLRWQHKT-UHFFFAOYSA-N	415.415	5.370	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc23)nc(C)n1	505306206	RXXLQDCTRRIWAK-JOCHJYFZSA-N	406.489	5.416	30	20	HKED	
C=CCC[C@H](C(=O)NCc1nc(COC)sc1-c1ccccc1)c1ccccc1	508351056	XSKIHSAVNXXFFH-FQEVSTJZSA-N	406.551	5.323	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)c1ccco1	510524641	YFWOVFNLVUIFCZ-RUZDIDTESA-N	423.472	6.163	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N(CCC(F)(F)F)CC1CC1	511537815	AOOGYDAMDUMGMZ-AWEZNQCLSA-N	400.338	5.193	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N(CCC(F)(F)F)CC1CC1	511537816	AOOGYDAMDUMGMZ-CQSZACIVSA-N	400.338	5.193	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc(OC)c1C(C)C	511594973	DIXOVQZTRPNTOF-HNNXBMFYSA-N	407.297	5.129	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	515795470	UNCJMOPUXJPUTC-XMMPIXPASA-N	424.504	5.488	30	20	HKED	
COC1(c2noc(C[C@H](CC#N)c3ccccc3)n2)CCC(c2ccccc2)CC1	516214754	YJABABMCRUIIPL-YGWFNULRSA-N	401.510	5.509	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nc2ccccc2o1	518502336	SJMJJCUGCQWDBP-KRWDZBQOSA-N	415.430	5.377	30	20	HKED	
CC(C)Sc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	518756696	GEKMTZHGTKEOTF-DLBZAZTESA-N	413.612	6.464	30	20	HKED	
Cc1ccccc1C1(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)CCOCC1	521260171	XYGOMXPBFDOGJS-GOSISDBHSA-N	423.582	5.117	30	20	HKED	
COc1cc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)[nH]c2cc1OC	522864560	KXHFMBKJNKBHBI-INIZCTEOSA-N	417.490	5.107	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(-c2cccc(Cl)c2)no1	523808011	UGTCGJRBIZQGGU-UHFFFAOYSA-N	423.325	5.003	30	20	HKED	
CC(C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1	523983921	XINCSUHHCWQVTM-UHFFFAOYSA-N	409.486	5.395	30	20	HKED	
N#CCCn1cc(CNc2cccc(COC3CCCCC3)c2)c(-c2ccccc2)n1	533210489	LZOLWTUFVHVCOV-UHFFFAOYSA-N	414.553	5.925	30	20	HKED	
CCC(CC)n1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C	535243303	PWNGXIVYEHMEDS-UHFFFAOYSA-N	402.498	5.256	30	20	HKED	
C=C[C@H](CC(=O)N(CC)[C@H](c1cccnc1)c1ccc(F)cc1F)c1ccccc1	536244314	OLXQTVXEUXVXHK-IQGLISFBSA-N	406.476	5.658	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1	536885578	LREQTCLSORDANO-UHFFFAOYSA-N	413.502	5.109	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)c1ccccc1	538325134	QPZXMSYKLURLPY-GCJKJVERSA-N	409.599	5.223	30	20	HKED	
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	539029149	KDPBPGVELMCYRH-LJQANCHMSA-N	415.493	5.156	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1cccc(C#N)c1	539499964	NQKDBPGWOQNJBO-ZWKOTPCHSA-N	401.485	5.290	30	20	HKED	
C[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1	542002213	ARJQOVMZUQNDNK-GOSISDBHSA-N	407.473	5.300	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1ccc(CSc2ccccc2)cc1	543215978	YKJPKZVUNUQHBK-UHFFFAOYSA-N	418.518	5.128	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C[C@H](C)O)C1CCCCC1	544534347	FAZIUXUVKAWCTM-SFHVURJKSA-N	407.514	5.206	30	20	HKED	
C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cccs2)CC1	549958616	RJKHHQYGDOUYKI-INIZCTEOSA-N	412.534	5.069	30	20	HKED	
CCN(C(=O)CSc1ccc(C#N)cc1)[C@H](c1ccccc1)c1ccc(F)cc1	552685612	SOMAIIPGCXBORF-XMMPIXPASA-N	404.510	5.428	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)Nc1cccc(OCCCC#N)c1	555052568	CFJJOKJIJZDKDQ-UHFFFAOYSA-N	404.445	5.523	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2sccc2C1	563915147	HSYGSHVYIBBNTH-UHFFFAOYSA-N	402.976	5.034	30	20	HKED	
N#CC1(c2ccccn2)CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1	565256965	KEQUTGBDUHOSQX-RUZDIDTESA-N	420.516	5.044	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NCc2cnc3c(C#N)cnn3c2)c2cccs2)cc1	566927817	RIRCHEVRPXYVHG-ZHRRBRCNSA-N	401.539	5.055	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)o1	571306716	CFGIRYFWJNMWDF-ZLNRFVROSA-N	412.489	5.139	30	20	HKED	
CC[C@@H](c1ccc(Br)cc1)c1noc(C[C@H](CC#N)c2ccccc2)n1	575367312	SUOFLFXHPZOIFN-HKUYNNGSSA-N	410.315	5.614	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cccc(F)c1C#N	577198597	BXDVYJVRBIXNPS-UHFFFAOYSA-N	404.285	5.007	30	20	HKED	
CCNc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1	578386899	DESJOULIDLGEHU-UHFFFAOYSA-N	415.522	5.010	30	20	HKED	
C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(OCC2CC2)CC1	580219823	FLCPKHGTJPYNPR-UHFFFAOYSA-N	402.542	5.070	30	20	HKED	
COc1ccc(-c2ocnc2C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	584018269	ALUXOEGNJHQHBE-GOSISDBHSA-N	415.474	5.272	30	20	HKED	
C=CCCO[C@H](C)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1	590238839	AIZUCVUBMBZJFZ-OAHLLOKOSA-N	417.431	5.023	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cnn1Cc1ccccc1	592974318	SSYQZKYMRYEVFH-QGZVFWFLSA-N	418.497	5.123	30	20	HKED	
C=CCOc1ccc(C(=O)N(CCC)[C@H](c2cccnc2)c2ccc(F)cc2F)cc1	599363603	CXGCUASWVNOTCA-XMMPIXPASA-N	422.475	5.566	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-]	603759080	SWZYIBQJEVBGOU-SFHVURJKSA-N	421.840	5.165	30	20	HKED	
Cc1cccc(C)c1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2	603818627	VKIRWQBCZYBNAX-UHFFFAOYSA-N	403.507	5.050	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1	603828683	VCHLNVKLAKSFRV-SBUREZEXSA-N	415.493	5.370	30	20	HKED	
CC(C)(C)Oc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1	604435050	SIQDIWZKQFHCEU-UHFFFAOYSA-N	400.522	5.604	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccccn4)n3)cc2)cc1	604456748	YTVQFEFGOFWIAF-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	608785125	XLIQCFXFANAMPE-UHFFFAOYSA-N	408.408	5.078	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)cc2)cc1	608840600	ADQXPLNCQGYWCD-ZEQRLZLVSA-N	413.477	5.392	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3OC3CCCC3)o2)cc1	609057680	NNSMAMLOPBYJRP-UHFFFAOYSA-N	402.450	5.304	30	20	HKED	
C[S@](=O)Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	609164388	MGHZOUUMXBFKQN-LGGPFLRQSA-N	422.937	5.126	30	20	HKED	
Cc1ccc2nc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)sc2c1	609441935	DVOKTHCIZMCDSI-UHFFFAOYSA-N	415.522	5.251	30	20	HKED	
COc1ccc(N(CC(C)C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	609498986	FLYFWGRNMSUUIU-UHFFFAOYSA-N	401.466	5.057	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1	609683843	QLKSNKPHSVEBDB-FQEVSTJZSA-N	413.521	6.141	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1Cc2ccccc2C1	609725205	NFIWEWSBJDHHDP-UHFFFAOYSA-N	402.881	5.243	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)c2)cc1	609987961	WHGQOURIFCHVAP-UHFFFAOYSA-N	422.444	5.399	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc(C#N)c1	610319040	FMQZAEOBJLIZIG-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccccc1C(F)(F)F	622566130	FATVVDXQXZHATG-BTDLBPIBSA-N	407.329	5.600	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc2cc(F)ccc2s1	679979371	IBYORUADMUYQTM-GOSISDBHSA-N	400.434	5.156	30	20	HKED	
CCN(CC)C(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Cl	726456590	GIBHVHMLGWBVIX-UHFFFAOYSA-N	421.353	5.156	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1Cl	726472926	CDCVQUURXVAJLA-UHFFFAOYSA-N	410.757	5.880	30	20	HKED	
COc1ccccc1N=C1SCCN1C(=O)c1csc(-c2ccccc2C)n1	727294552	FBHIBDUIZJFWDU-UHFFFAOYSA-N	409.536	5.004	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	727588478	PPUOXWGSCPRIPV-JOCHJYFZSA-N	424.472	5.032	30	20	HKED	
CCOc1cc(/C=C2\CCc3nc(-c4ccc(OC)cc4)sc3C2=O)ccc1O	727780276	JDWDTWLVERDKDF-FOWTUZBSSA-N	407.491	5.136	30	20	HKED	
COc1ccc2ccccc2c1CN(C(=O)c1ccccc1OCC#N)C1CCCC1	728005328	QXCNTBKVQIXWIN-UHFFFAOYSA-N	414.505	5.336	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728299112	NONIOTVXSUZADN-MRXNPFEDSA-N	421.447	5.163	30	20	HKED	
CC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	729070764	XUEAXCBAHKJTIU-KSSFIOAISA-N	402.466	5.233	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cc2)c1	731331865	STHLLBKVPUQOHA-UHFFFAOYSA-N	418.543	6.081	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1	731752447	GPLOBPSBLNKCOQ-FGZHOGPDSA-N	401.441	5.126	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)c1	732420198	PFZDYRLXIVFLRO-RUZDIDTESA-N	407.473	5.653	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Oc2ccc3ccc(C(F)(F)F)nc3c2)c1	732499243	NKPJRVBORKZDBC-UHFFFAOYSA-N	414.383	5.280	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(F)cc1Cl	733080342	VLFFKESFYPDQIW-UHFFFAOYSA-N	409.774	5.186	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccccc2s1	734326013	SAWYCESBTTUFAQ-INIZCTEOSA-N	413.502	5.238	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1cccc(C(F)(F)F)c1	735318754	PVKOUPATQCIWOU-UHFFFAOYSA-N	414.836	5.133	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)CCOc1ccccc1-c1ccccc1	735342985	JPWMWVUFXRCEMN-UHFFFAOYSA-N	421.880	5.422	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	739180769	NCCHRNRIWJWNAN-NHYWBVRUSA-N	406.404	5.509	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C	739437858	UUKKQNPBGYKBGV-SFHVURJKSA-N	423.520	5.036	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1)c1ccncc1	741408557	JOWBQJRMOBJZMC-LAUBAEHRSA-N	413.949	5.025	30	20	HKED	
CCCOc1c(Cl)cc(/C=C/C(=O)c2c(Cl)nc3sccn23)cc1OC	741846569	CZJWGKMBTRKUSA-SNAWJCMRSA-N	411.310	5.396	30	20	HKED	
COc1ccc(Cl)c(NC(=S)N(Cc2ccccc2)c2ccccc2C#N)c1	742991323	RYYYRGGXBSIESH-UHFFFAOYSA-N	407.926	5.624	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCSc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	744037659	BIZYLCHPJSNWLO-UONOGXRCSA-N	418.465	5.771	30	20	HKED	
N#Cc1csc(/C=C2/CN(C3CCCCC3)C/C(=C\c3cc(C#N)cs3)C2=O)c1	748441284	WOCAKHBHSJCDRB-NCEWWTOFSA-N	419.575	5.237	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	750915299	DIMSOAZQUYUHGV-DAXSKMNVSA-N	422.346	5.024	30	20	HKED	
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1csc([C@@H]2CCCO2)n1	756487767	KJOXTEJIADUULE-SFHVURJKSA-N	415.584	5.385	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1	757196997	CNAWYHFHTMXOJO-HXUWFJFHSA-N	420.856	5.225	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(C(F)(F)F)cc3C#N)o2)cc1C	758953275	FUKCQIWPSUXZFE-CYBMUJFWSA-N	415.371	5.162	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	763799592	DIRCLRTXGUSXRT-NRFANRHFSA-N	417.490	5.615	30	20	HKED	
CCOc1ccc(-c2nc(CON=Cc3ccc(OC(C)C)c(OC)c3)co2)cc1	772874860	FETVLYQTIZUZFI-UHFFFAOYSA-N	410.470	5.087	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(Cc3ccccc3)nc2C)c1	772984243	ONPCZEFBQSCULD-UWJYYQICSA-N	405.567	5.574	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780585048	UZVRUNHOIOAJMW-KRWDZBQOSA-N	401.466	5.509	30	20	HKED	
CCN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1	780671289	UAUSOXIKYXMJBT-GJZGRUSLSA-N	405.420	5.611	30	20	HKED	
CS/C=C\C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	783558087	VEEMOWQQUAVSTF-QUCGXOGASA-N	411.289	5.321	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1	788339622	ZCTYSDCSSYZMKR-UHFFFAOYSA-N	415.305	5.366	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1	789125701	ZTAUKAAISWZJKJ-XMSQKQJNSA-N	407.514	5.053	30	20	HKED	
C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)N[C@@H](C)c1cccc2ccccc12	795982724	QUCJRIUANVCYAE-CNNODRBYSA-N	414.505	5.036	30	20	HKED	
C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cn1	798668777	DUTNOLOXHXMFPI-CYBMUJFWSA-N	416.355	5.062	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	799718786	NVTBVYJGKQAYQA-GFCCVEGCSA-N	400.265	5.532	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)OCCCC3(C#N)CCOCC3)oc2c1	800149950	ZGKPZESJXNGWES-UHFFFAOYSA-N	419.477	5.366	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2cccc(OCCCC#N)c2)s1	810169724	XUFFSBPCDYHDGD-UHFFFAOYSA-N	415.515	5.054	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc(Cl)sc2[nH]1	810530338	AZUDWQDXWXENBX-VIFPVBQESA-N	412.685	5.151	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc(F)c3C#N)s2)cc1	811689148	YLZLHPPWUAIESI-YBEGLDIGSA-N	412.877	5.100	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1OCCc2sccc21	814305787	NTRISEDQXWXKRC-POCHDABASA-N	402.519	5.292	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	815339970	IOAZMINEHQBBHN-NSHDSACASA-N	402.237	5.142	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1	917043854	ORDPUEWNBHPFAV-CJHWANRJSA-N	412.845	5.920	30	20	HKED	
CC(C)CN(C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc(C#N)cc1	918572099	APYKAZINOHNJHF-RUZDIDTESA-N	424.500	5.315	30	20	HKED	
C#CCN1C(=O)c2ccccc2N[C@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1	918749338	XPVHDHLIGKHJSM-GOSISDBHSA-N	413.424	5.029	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	920105770	LUHRYCUFCDIAMG-FQEVSTJZSA-N	409.489	5.432	30	20	HKED	
CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1	1786393438	DZPRCGPECIJYBF-NRFANRHFSA-N	422.550	5.135	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3)cc2)CCC1	1787297372	YEEPBYZDQJQADI-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(C3CCCCC3)cc2)nnc1-c1ccncc1	6907680	BXYILHPWDMPYLQ-UHFFFAOYSA-N	418.566	5.549	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2cccc(C)c2C)c1	10168235	UTTMSBBDLLCUMO-UHFFFAOYSA-O	409.600	5.629	30	20	HKED	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12	25840466	KIUCXQSOPWIARZ-UHFFFAOYSA-N	414.440	5.391	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1	28513450	RGCKELVPFZWWKQ-UHFFFAOYSA-N	420.321	5.768	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)C(C)C)cc1	44401946	QCSLUFLQNJATKJ-AVRWGWEMSA-N	408.590	5.373	30	20	HKED	
CCCOc1ccc([C@H](C)NC(=O)N(CCC)Cc2ccc(C#N)cc2)cc1OC	46673494	AHICEQLJVOIJFC-SFHVURJKSA-N	409.530	5.038	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1[N+](=O)[O-]	72025250	UDDSNSBZYNYVHN-UHFFFAOYSA-N	417.421	5.218	30	20	HKED	
C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1cccc(Cl)c1Cl	138027209	DOVBCLPCQAGZSG-NSHDSACASA-N	406.338	5.258	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1	303427217	ZWVYKOBYXUYMQE-MBOZVWFJSA-N	423.582	5.258	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nccs1	303858585	WCRDDLSSCQKJJJ-QGZVFWFLSA-N	408.483	5.088	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1	426069589	KXJLAQOLGGAOAK-HXUWFJFHSA-N	405.498	5.354	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccnn2Cc2cccc3ccccc23)C2CC2)cc1	429741740	XQZSXBFDHKMOCP-UHFFFAOYSA-N	421.504	5.153	30	20	HKED	
O=C(NC1CC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	430360077	REJOJURRGJJDID-IQVVKZEBSA-N	419.356	5.023	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1	430596536	XBROHVGQKSPYOU-GDLZYMKVSA-N	420.559	5.003	30	20	HKED	
Cc1ccccc1C1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCCCC1	433327388	SLNSWPVNHKKDDX-UHFFFAOYSA-N	413.569	5.159	30	20	HKED	
CCN(Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	434724926	GYAPRWSKMUGHET-SFHVURJKSA-N	418.566	5.088	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)cc1	436338803	XVLBGQPACAJEBQ-CLJLJLNGSA-N	421.500	5.457	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1	438049931	CHGDJIGBXJYOSI-ZHRMCQFGSA-N	408.542	5.046	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N	438074824	PNRIEFVIUVHTPP-PZJWPPBQSA-N	409.599	6.264	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc3cc(OC)ccc3c2)nnc1-c1ccncc1	439286164	QPABNGQFZWUOKR-MRXNPFEDSA-N	402.523	5.541	30	20	HKED	
C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H](CCC#N)c1ccccc1	439660235	XIDBQOCEXVZCTO-KBXCAEBGSA-N	403.345	5.091	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F	439819224	ZVUYJUKFIBEMCR-UHFFFAOYSA-N	421.708	5.001	30	20	HKED	
Cc1cccc(CN(CC#Cc2ccc(C(F)(F)F)cc2)Cc2cccc(C)n2)n1	440950592	ALEFBMVWTBGNTN-UHFFFAOYSA-N	409.455	5.166	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1	441117049	CYIIMGLPCGIGOX-KBPBESRZSA-N	423.460	5.720	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1	446159324	AUMKNMCPLGMQAW-HNNXBMFYSA-N	424.957	5.594	30	20	HKED	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(OCc2ccccc2C#N)c1	460216359	UUAKOIYZPKKBGX-LJQANCHMSA-N	411.505	5.012	30	20	HKED	
C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]1c1csc(C)n1	460965338	YOBROASNGRIQCG-OAQYLSRUSA-N	416.554	5.176	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464410034	LVOAPACDTYASMD-CYBMUJFWSA-N	419.790	5.461	30	20	HKED	
C=C[C@H](CC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1	464731660	VVJJAXWLLZXESX-CQSZACIVSA-N	403.379	5.329	30	20	HKED	
CC(C)(C)[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1	465861066	YGFBLUCWMVTAIJ-GOSISDBHSA-N	407.411	5.303	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)o1	468124424	NXPCWQZKFVFCLU-QHCPKHFHSA-N	415.493	5.011	30	20	HKED	
CCC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469951366	XLLVZGPHAWLKAE-UHFFFAOYSA-N	403.526	5.209	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1(c2ccc(Cl)cc2)CCOCC1	475566300	YQZFVEOFRJWOAQ-UHFFFAOYSA-N	412.961	6.019	30	20	HKED	
N#Cc1ccc(CN2CCCN(Cc3nc(-c4ccccc4Cl)cs3)CC2)cc1	480520696	DDYTVEIFKXAQRK-UHFFFAOYSA-N	422.985	5.043	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c(F)c1	480563328	LEVQIGVCKPHTJS-JLTOFOAXSA-N	401.482	5.798	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc(NC(=O)N2CCCCCC2)cc1	481988486	CFFOPEDLKWJYEU-XMMPIXPASA-N	402.542	5.846	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(Cc3ccco3)Cc3cccs3)c2)cc1	482361282	ZZTPUCMFHMFCKK-UHFFFAOYSA-N	414.486	5.848	30	20	HKED	
N#Cc1cc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)ccc1OCC(F)(F)F	482813373	PQCGAJQMDBLEAE-HNNXBMFYSA-N	416.321	5.174	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)c(F)c1	483297411	OOANBTSYBRJNHF-UYAOXDASSA-N	413.493	5.738	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1	486247652	YYNDTSJYIUBIAN-UHFFFAOYSA-N	423.582	5.032	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(c3ccsc3)C3CCCCC3)cc2)nc1	487234672	SIMPJHOXZIPMRF-UHFFFAOYSA-N	403.507	5.787	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1	488434787	NDTHCGFUPNCWJF-WOJBJXKFSA-N	417.534	5.667	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)c1cccc(Cl)c1	489639957	HDDUBTKGRSZELI-OAHLLOKOSA-N	413.930	5.060	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F	490847512	UXUXEUPNSQUJAH-FQEVSTJZSA-N	412.415	5.041	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2Cl)cc1	491027956	LONDPNCQUCPRSH-UHFFFAOYSA-N	405.797	5.504	30	20	HKED	
C[C@H](Cc1ccncc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	493163345	YABPEHYQPQSJKL-OAHLLOKOSA-N	406.873	5.152	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl	496027747	IRQBNECDFLULPB-AWEZNQCLSA-N	403.290	5.616	30	20	HKED	
Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(F)cc1Br	497436097	IUGWQZQJIUMUQB-UHFFFAOYSA-N	404.283	5.211	30	20	HKED	
C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1cccs1	498005272	ZXFHVXZWIDWYHL-UHFFFAOYSA-N	407.524	5.067	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1	499993172	SGNJPQUYOKVJNP-UHFFFAOYSA-N	403.345	5.122	30	20	HKED	
CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	503224637	HHWFYCBZVPPKEQ-HRAATJIYSA-N	415.990	6.453	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cc2)nc1	505073751	KXZTYGNLQJPHRI-UHFFFAOYSA-N	408.339	5.481	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1	505308928	WGWNXCLGEUKDPV-INIZCTEOSA-N	424.715	5.236	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ncccc1C(F)(F)F	505381803	YWZGUBWCGICABS-GFCCVEGCSA-N	416.243	5.153	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H](C)c3ccc(C#N)cc3)s2)cc1	506182890	NDLHHSIRRSUJEP-HOCLYGCPSA-N	420.538	5.120	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCN(C(C)C)C(C)C	506949631	JNDJKANNCQGOCN-UHFFFAOYSA-N	408.546	5.242	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	507147303	BDWKXLKNIQDZTC-UHFFFAOYSA-N	410.473	5.691	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510004529	FWMKCLXDWRQOTN-IIBYNOLFSA-N	421.903	6.359	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	511409344	IPKFMMQLSIBILB-QHCPKHFHSA-N	405.885	5.172	30	20	HKED	
COc1cc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OC(C)C	513290664	CCXMFTSJYUQQMI-GOSISDBHSA-N	414.505	5.512	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N(C[C@@H](C)C#N)C1CC1	513711202	DNWKBSYMJGLRFO-LBPRGKRZSA-N	417.918	5.011	30	20	HKED	
Cc1noc2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc12	517183629	IMJXQJHMMZOHGJ-UHFFFAOYSA-N	404.813	5.101	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	517351483	NMUHVCZZQDMOBV-AWEZNQCLSA-N	417.465	5.380	30	20	HKED	
COc1cccc([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	518151340	PUZCWMHSSZZRAM-CYBMUJFWSA-N	408.445	5.462	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	518243707	ZVDOBELSLDJUNG-MRXNPFEDSA-N	403.551	6.083	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	518753216	JKRRETJHQCTEEO-JKSUJKDBSA-N	413.543	5.371	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	519123587	NWAOSTVXOXYMAD-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(CCC)cc2)c2cccs2)CC1	519282663	JVVOQNAXPHAFBU-HSZRJFAPSA-N	411.615	5.130	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(OC(F)F)cc1	519997027	PINBZGAEPLCJEO-OAHLLOKOSA-N	423.419	5.391	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1	520328838	LBFQESDRZIPICY-UHFFFAOYSA-N	419.506	5.060	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3OCc3ccncc3)cc2)c1	520925841	AZGCBDJSNXYTSU-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521082970	KLAORJFOESOLLV-CLOONOSVSA-N	412.489	5.147	30	20	HKED	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)Cc1ccc(C#N)cc1F)CCO2	525635263	PLTRLWAFCXFIRT-DEOSSOPVSA-N	402.469	5.232	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)cc1Cl	534885534	GIPIWEYGFPFDIL-UHFFFAOYSA-N	422.834	5.809	30	20	HKED	
CN(C(=O)c1ccc(Br)cc1C(F)(F)F)c1cc(Cl)ccc1C#N	539559149	MMZZXHIYJOHEJV-UHFFFAOYSA-N	417.612	5.270	30	20	HKED	
Cc1cccnc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	541195361	ZNPYCAQBVFUMCQ-AWEZNQCLSA-N	416.287	5.821	30	20	HKED	
Cc1ccccc1-c1noc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542018482	YFPXFMLRSFLHLK-RTBURBONSA-N	408.505	5.996	30	20	HKED	
COc1cccc2[nH]cc(Cc3noc(/C=C\c4cn(CCC#N)c5ccccc45)n3)c12	545020016	PUPBPUIRIPJHJJ-KHPPLWFESA-N	423.476	5.189	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c1	547523999	MMDGOKVXLJMVJY-KRWDZBQOSA-N	413.346	5.072	30	20	HKED	
CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1	549824482	PITPZVJFCOPIIC-NSHDSACASA-N	415.337	5.214	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1	551319437	NVSNUZCXEJHQJF-UHFFFAOYSA-N	419.350	5.187	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CC3(C(F)(F)F)CC3)cc2Cl)c1	553949357	LGJFKIMHBLOYEF-UHFFFAOYSA-N	408.807	5.462	30	20	HKED	
CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(c1ccccc1)c1ccccc1	560208685	CWZGNLMGEHKRJD-UHFFFAOYSA-N	409.411	5.224	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CCCC2)n1	564007444	FVDGGPPRCFKSNI-UHFFFAOYSA-N	419.510	5.102	30	20	HKED	
C[C@@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)OCCc2sccc21	564412646	JZERLYVEPLQJJH-QHCPKHFHSA-N	419.506	5.022	30	20	HKED	
O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1	590155890	RADGSFXDSAFZSM-UWVGGRQHSA-N	424.263	5.176	30	20	HKED	
C=C1CCN(C(=O)c2ccccc2SCc2ccc(Br)cc2)CC1	595462704	VZIYQVNDIKCTRZ-UHFFFAOYSA-N	402.357	5.534	30	20	HKED	
C=CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1	600220617	YKOQUVTZMJNFRY-UHFFFAOYSA-N	404.535	5.395	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)oc1-c1ccccc1	609427338	CMJIQTVCDVEEMD-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
C[C@H](S[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1)c1ccc(C#N)cc1	609825766	SCQVJBPMJCTNJA-LSDHHAIUSA-N	417.372	5.162	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12	610042451	ZMJFVPMEZNPDAV-UHFFFAOYSA-N	415.880	5.975	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](SC)c2ccccc2)cc1	610043406	ULKNKTLYXXRQPW-JOCHJYFZSA-N	404.491	5.402	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ncc(-c2ccccc2)o1	610068770	UIQJFBICORJEAS-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1	610147573	VJRYZHPPPIEIEW-UHFFFAOYSA-N	408.567	5.016	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N[C@H](C)c1cccc(C#N)c1	610323531	FOUQWSPHZVSCAK-QGZVFWFLSA-N	403.457	5.468	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N[C@H](C)c1cccc(C#N)c1)c(C)n2C1CCCC1	610364530	RJUWWVVSQBGCQG-MRXNPFEDSA-N	401.510	5.436	30	20	HKED	
Cc1ccc(-n2nc(C)c(NC(=O)CSc3ccc(Cl)cc3C#N)c2C)cc1	610654900	IAQHLSUTAPUAKE-UHFFFAOYSA-N	410.930	5.053	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccc(F)cc12	613403025	AXGFZWDTLJYNCT-ZDUSSCGKSA-N	418.371	5.999	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)n1	677790742	AWYNJIPWRHEEBT-GFCCVEGCSA-N	403.479	5.818	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)cc1	679977445	FXLQIJBNRQBWAQ-QHCPKHFHSA-N	406.441	5.720	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(/C)c3ccccc3Cl)n2)cc1	727633130	VYROYEZJCVYOSR-RMHQSFGDSA-N	408.910	5.752	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccccc3)nc2)CCc2nc(-c3ccc(F)cc3)sc21	727685221	DOBDKZIKKJCMFS-PDGQHHTCSA-N	413.477	5.619	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)CCc2nc(C)c(-c3ccccc3)o2)c1	730180535	GUKBHEHEZYBCRR-UHFFFAOYSA-N	420.512	5.797	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1	730398589	KZFFHCZUHOZUQC-FDDCHVKYSA-N	416.864	5.786	30	20	HKED	
N#CC(CCOC(=O)c1c(Cl)cccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1	730644720	FGIFHCBQLMOKDK-UHFFFAOYSA-N	420.852	5.305	30	20	HKED	
C=CCNC(=S)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1	731322157	VIYXUQLPCLCRNU-UHFFFAOYSA-N	417.372	5.266	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3ccccn3)n2)cnn1-c1cccc(Cl)c1	731565533	SEBFGOPGVGFGNK-HJWRWDBZSA-N	406.898	5.249	30	20	HKED	
CCCN(C(=O)NCc1cccc(O[C@H](C#N)CC)c1)[C@@H](C)c1ccccc1OC	733804298	BNSQBTZSPSYQRD-ICSRJNTNSA-N	409.530	5.059	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)c3ccccc3SCC#N)C2)nc2ccccc21	733957877	FABNDLGFFJOEHK-GOSISDBHSA-N	418.566	5.253	30	20	HKED	
C=CC[C@@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccncc1	734458436	ZFVBHYPQZTUSNI-CQSZACIVSA-N	404.695	5.026	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCC[C@H]1c1ccc(Br)cc1	735308784	SHADUYLORTZNKX-SFHVURJKSA-N	405.723	5.342	30	20	HKED	
C[C@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)cc1	735320588	ZAUJMZUWIIWQPP-ZDUSSCGKSA-N	409.338	5.006	30	20	HKED	
Cc1ccc2[nH]cc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)c2c1	735609854	GBFMPIPMURYFEN-UHFFFAOYSA-N	402.310	5.213	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740058656	ADLYTKBSCFSTCN-NRFANRHFSA-N	417.534	5.342	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	741110928	DVOVCMYXKVKBTO-ABAIWWIYSA-N	402.928	5.315	30	20	HKED	
Cc1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccn12	741179693	HVEFTUJQOSXREU-LJQANCHMSA-N	400.869	5.204	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)n1	747197671	MHPNEISPOQFOLZ-CTNGQTDRSA-N	416.502	5.211	30	20	HKED	
CC(=O)Nc1cc(C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F	747784764	QJGLJIAKMORPCH-OAHLLOKOSA-N	423.284	5.263	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(C#N)s4)nc(O)c23)s1	748999582	RMPRXAKJKLWUOY-AWNIVKPZSA-N	415.952	6.104	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1OC	749537747	FUGHRWMZDCYCOJ-OAHLLOKOSA-N	418.921	5.248	30	20	HKED	
N#C[C@H](COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)Cc1ccccc1	750785588	ZYWWAXWDBIPXQI-MRXNPFEDSA-N	424.909	5.193	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1ccc(OC(F)F)cc1OC(F)F	753133423	CSKJCFHDZQFECU-DUXPYHPUSA-N	424.375	5.304	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)cc2)cc1	758588797	KFKHEUDFXWNYAL-KNQAVFIVSA-N	417.465	5.064	30	20	HKED	
CCOCCC1(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCCC1	763482670	ZCNKBLYFGXVAFP-CQSZACIVSA-N	410.461	5.478	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)Nc3cnn(-c4ncccc4C#N)c3)sc2c1	763718759	MGRJKQKLMXEMNZ-UHFFFAOYSA-N	421.913	5.383	30	20	HKED	
N#Cc1cc(N[C@H](Cc2ccc(F)cc2)c2ccccc2)ccc1N1CCC(O)CC1	774300548	MKFTVCOTHIKYSD-RUZDIDTESA-N	415.512	5.054	30	20	HKED	
CSc1cccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccc(F)c(F)c2)c1	776164303	YUNPLDUMVSLSEM-GYCJOSAFSA-N	424.516	6.029	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)c1ccccc1	780673892	GFUNJFIDGMQJGF-UWJYYQICSA-N	419.456	5.058	30	20	HKED	
N#Cc1ccccc1CN(C(=S)Nc1cccc(OC(F)(F)F)c1)C1CCCC1	783746406	ATSILCCVAOYIHE-UHFFFAOYSA-N	419.472	5.598	30	20	HKED	
Cc1cccc(C(=O)OCc2ccc(C#N)cc2Cl)c1NC(=O)c1ccoc1C	784208469	OGKWIFVBFATHBC-UHFFFAOYSA-N	408.841	5.031	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(Oc3ccc(OC)cc3)cc2)c1	784543957	BBYKDIGXZOFDDT-OAQYLSRUSA-N	402.494	5.458	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1	788682632	UHUCPQRZJFADQX-GOSISDBHSA-N	421.541	5.720	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\CCOc3ccc(C(C)C)cc3C2=O)cn1	792888077	XBNGHTQNRYCHEW-XDHOZWIPSA-N	400.478	5.324	30	20	HKED	
CC(C)Cc1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2cccs2)cc1	793585364	YECPMZAVNDWUIV-XMMPIXPASA-N	400.551	5.345	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)OCc2ccc(Oc3ccccc3F)c(F)c2)cc1	795819190	ISBRTNCFOZWCDT-LJQANCHMSA-N	418.399	5.054	30	20	HKED	
COc1cc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)ccc1C#N	799494930	ILBUUNKTXAKATC-MFOYZWKCSA-N	419.893	5.681	30	20	HKED	
CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	799604169	WAORTINBIALSHV-MRXNPFEDSA-N	410.926	5.815	30	20	HKED	
N#CC1(CCCOC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)CCOCC1	800166621	QWYSVKCCIBAJHE-UHFFFAOYSA-N	416.477	5.266	30	20	HKED	
C=CCOc1ccc(CNC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1	806280491	GBNAUEIXISQWCQ-UHFFFAOYSA-N	415.465	5.059	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1	806665363	APAYWLDBDKEYMQ-AWEZNQCLSA-N	411.811	5.361	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnn(Cc2ccccc2)c1Cl	808282005	TUPYYZKROCCJPJ-UHFFFAOYSA-N	418.909	5.437	30	20	HKED	
CCC[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccn1	810536535	MKTDWYNMGIDLJZ-UONOGXRCSA-N	403.429	5.470	30	20	HKED	
CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1	864757159	JQPSCXGPVPEMBA-UHFFFAOYSA-N	421.607	5.017	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1sc(C)c(C)c1C#N	893173487	HCXXURUEXBSLFY-UHFFFAOYSA-N	419.337	5.349	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)cc1	916908891	GBQGCBIYOFMXME-VTGFLYEISA-N	420.818	5.282	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)o2)cc1	916915972	MGLDOANLDJDRAS-NRFANRHFSA-N	423.472	5.083	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1coc2cc(C)c(C(C)C)cc12	916923155	LJMXSQLTJMALPI-HXUWFJFHSA-N	418.493	5.153	30	20	HKED	
C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(C2CC2)CC1	1360750848	QUJIBTPVUUJMOD-JKSUJKDBSA-N	413.953	5.000	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC)nc3)CCC2)cc1	1789452890	DHGSHJONJKYFMO-HSZRJFAPSA-N	417.553	5.160	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC(F)(F)F)CCC2)cc1	1789453332	WLQFJPZTSYAWEU-IBGZPJMESA-N	422.491	5.622	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1	1791244580	VSPPHICEAKYLTB-MRXNPFEDSA-N	404.501	5.158	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)c1Cl	1792111598	DDSRUGSVDCUIIJ-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2F)CC1	1829877455	JQQSRFNAPKLXSI-QFIPXVFZSA-N	414.565	5.051	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccccc1C#N	5242880	VLYJNZBWSNMFJI-MRXNPFEDSA-N	410.502	5.288	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(CC)cc2)cc1	10173421	ZZXREOCXMOWQNG-UHFFFAOYSA-O	407.534	5.289	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(C)c1	21961287	WZLUYNZLWRHMQM-UHFFFAOYSA-N	412.946	5.132	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)[C@H]4C[C@@H]4C)cc3)n2)cc1	41511228	JAQPCGKZJGMCQO-RYGJVYDSSA-N	415.518	5.203	30	20	HKED	
C[C@H]1Sc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2NC1=O	55428293	MDRYZARQCINHRL-CQSZACIVSA-N	415.474	5.036	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(N2CCCC2=O)cc1	56469650	QHPVUOUWZRHSQG-UHFFFAOYSA-N	411.461	5.038	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(C)C)c(Cl)c1	63390857	KCLWWDWNEZDTMF-UHFFFAOYSA-N	403.866	5.256	30	20	HKED	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	107830982	CFIXOQMVYGTNPG-ZDUSSCGKSA-N	412.864	5.283	30	20	HKED	
N#Cc1c(Cl)nsc1NCc1ccccc1-c1ccc(Cn2cccn2)cc1	301944342	AKJYDUKAVGVOMA-UHFFFAOYSA-N	405.914	5.192	30	20	HKED	
C=CCN(Cc1csc(-c2ccccn2)n1)Cc1cc(Br)ccc1F	303514055	XNYWDJYTLNXELG-UHFFFAOYSA-N	418.335	5.295	30	20	HKED	
C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303651418	DYPVILLWSVBRBL-SECBINFHSA-N	401.301	5.309	30	20	HKED	
CC(C)Oc1ccc(N/C(N)=N/Cc2cccc(COCc3ccccc3)c2)cc1	303877654	FMLXVOKBPAEUBV-UHFFFAOYSA-N	403.526	5.117	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1	431348717	JUQSECNPIMBZTI-HXUWFJFHSA-N	422.941	5.323	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1	431701455	DZIVEPIUOMVDFY-UHFFFAOYSA-N	403.526	5.192	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1	431769198	BESNARJSXYKUEM-BEFAXECRSA-N	400.320	5.244	30	20	HKED	
N#CCCC[C@H](NC(=O)NCCCc1cccc(C(F)(F)F)c1)c1ccccc1	431876787	XPFCERAIGGZDHF-FQEVSTJZSA-N	403.448	5.372	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CNc2ccc(C(C)(C)C(F)(F)F)cc2)c1C	432342911	PCAPOBHMZOFAIL-UHFFFAOYSA-N	417.475	5.502	30	20	HKED	
CN(C(=O)c1cc(C(F)(F)F)ccc1Br)c1cc(Cl)ccc1C#N	432738018	HHBKPHRITBNGKW-UHFFFAOYSA-N	417.612	5.270	30	20	HKED	
N#CCCn1cc(CNc2ccc(Oc3ccccc3)c(C#N)c2)c(-c2ccncc2)n1	432740978	CYJSMXWRDZSWLO-UHFFFAOYSA-N	420.476	5.135	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccccc1	433035826	ZUYKBFPWXBHRPF-QGZVFWFLSA-N	409.839	5.322	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C	436345627	MRFYOOCHSGTGBE-QAPCUYQASA-N	403.573	5.014	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	438671328	YNJKPWVXAYSXAY-CQSZACIVSA-N	424.501	5.788	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@H]2c2ccc(C)s2)cnn1-c1cccc(C#N)c1	439665988	NJXMNYYYZIXZGY-NRFANRHFSA-N	419.554	5.435	30	20	HKED	
COCc1nc(CN=c2c(C#N)c[nH]c3ccc(Cl)cc23)c(-c2ccccc2)s1	440661435	PXGJZEBZPUMMNV-UHFFFAOYSA-N	420.925	5.064	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(F)c(F)cc1Br	440790709	GOXLKBXVODLEIM-UHFFFAOYSA-N	419.250	5.580	30	20	HKED	
CCCCn1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C	448289014	HBZKUUUEJXCVHH-UHFFFAOYSA-N	419.504	5.237	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)[C@@H](C)c2cccc(C#N)c2)nc1-c1ccccc1	462132875	SFVYKWQOMLVJSW-PGRDOPGGSA-N	413.521	5.804	30	20	HKED	
COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	463660811	CFPZQOJHOLJQPJ-UHFFFAOYSA-N	410.433	5.002	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	464656318	MNFNZAOHEMXIMD-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
N#Cc1cccc(NC(=O)C2CCN(C(=O)C3(C4CCCCC4)CCCCC3)CC2)c1	470878030	SBUKRTWUUUHTAS-UHFFFAOYSA-N	421.585	5.266	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1	475559915	GUIMIBABPVOXHY-UHFFFAOYSA-N	421.368	5.872	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C(=O)N(CCCC)C2=O	476078954	ISPSAEIUABIWND-UHFFFAOYSA-N	404.510	5.187	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1	476123840	QPOXUXIDKREXOU-GOSISDBHSA-N	410.583	5.546	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1	476817685	IBKMGDODDSEETD-NRFANRHFSA-N	420.513	5.199	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(COC(C)(C)CC)c1C	477063225	TUEXNSKQJQAJSN-UHFFFAOYSA-N	414.546	5.396	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1	477736342	AACWRPJRLFJQPW-DENIHFKCSA-N	416.468	5.146	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1	485299935	HTRAWYQXXINMFX-UHFFFAOYSA-N	406.592	5.000	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21	486538748	WNHTVXOBVVJOKL-LPOZWGFCSA-N	419.594	6.128	30	20	HKED	
CC(C)CCn1ncc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C(C)C	487634156	MITUMRGUWIXFIB-RBBKRZOGSA-N	407.562	5.356	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1	490013823	NVFLTTHCMKGEEX-QGZVFWFLSA-N	420.296	5.180	30	20	HKED	
COc1ccc(-c2cc(NC(=O)Cc3ccc(C#N)cc3)ccc2OC(F)F)cc1	497468971	YJSZCENJRBLUKM-UHFFFAOYSA-N	408.404	5.016	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)c1ccc(C#N)cc1	498411036	SWFQVOXWFHVTPB-ZDUSSCGKSA-N	411.914	5.047	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12	498492631	UHGMHCKJIXBGDO-UHFFFAOYSA-N	411.480	5.437	30	20	HKED	
N#C[C@@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc(-c2ccccc2)cs1	499599500	GUFHMFSGVYPRSQ-SFHVURJKSA-N	415.543	5.542	30	20	HKED	
CCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21	504642075	MBSRMJTUMJSELJ-QGZVFWFLSA-N	401.329	5.020	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ncnn3C(C)(C)C)n2)o1	509070386	VUPVJTDCVZEPLJ-UHFFFAOYSA-N	421.448	5.179	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1	509576564	WOFYEGPRUYTPHY-WCQYABFASA-N	408.233	5.081	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCc1cccc(C(=O)N2CCCCC2)c1	510197991	KZULWUMDBIKQDU-UHFFFAOYSA-N	413.546	5.539	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1	510886523	GRBDMLYWVUYEDW-JOCHJYFZSA-N	411.505	5.898	30	20	HKED	
N#CCc1cccc(C(=O)N(Cc2ccsc2)c2ccc(Br)cc2)c1	511092954	ISULLDODLOLIGM-UHFFFAOYSA-N	411.324	5.424	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	514182634	IJYDWOYEPONXJY-IBGZPJMESA-N	414.509	5.428	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	515449296	NUHNZPFJSHSEPA-UHFFFAOYSA-N	410.539	5.279	30	20	HKED	
Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cnn1-c1ccc(Cl)cc1	515684019	VEGJUMSBEPGASI-UHFFFAOYSA-N	418.909	5.687	30	20	HKED	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N	517474117	UWLIDLDCODNIPA-MRXNPFEDSA-N	413.543	5.010	30	20	HKED	
Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	517599906	QHPWNQUKRZBRMG-ISKFKSNPSA-N	419.544	5.017	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2	519318031	XIPLUFJDYXEMBD-UHFFFAOYSA-N	419.356	5.070	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	520272209	ZCOUORNNRFHQPT-HNNXBMFYSA-N	423.925	5.002	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cn2)cc1	521107961	MVWDUYHSKRDCDE-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
N#C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1cccc(Cl)c1Cl	521769611	RIPLUDJNHMZCOQ-LJQANCHMSA-N	411.288	5.420	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1	523601195	YZBUYKIVUOGUJA-PELRDEGISA-N	421.541	5.096	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1	525042594	ZBTSEOPKETUNJN-UHFFFAOYSA-N	416.525	5.249	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CN(CCC#N)CC(C)(C)C)nc(O)c23)cc1	533289933	GGPSHFJDSUMVBD-UHFFFAOYSA-N	408.571	5.443	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1coc(-c2ccc(C(F)(F)F)cc2)n1	534401399	KJRXLYYUWCQGIJ-CQSZACIVSA-N	417.456	6.367	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	535175078	SBJZDOKEHCUZDQ-INIZCTEOSA-N	420.538	5.467	30	20	HKED	
COc1cc([C@H](C)NC2CCC(Oc3ccccc3C#N)CC2)ccc1OC(F)F	536873476	YVXQUSISEGGMFH-MNNVXMFVSA-N	416.468	5.209	30	20	HKED	
COc1ccc(C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2ccccc2)cc1OC	537408202	YVTWTBCJSFBUTF-UZUQRXQVSA-N	404.485	5.349	30	20	HKED	
CCc1cnccc1[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	538023499	DVTNGVPEPUCQTB-AOMKIAJQSA-N	418.928	5.836	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3cc(Cl)ccc3NCc3ccccc3)cc2)CC1	538567983	JHWRXCFABROHFY-UHFFFAOYSA-N	401.897	5.760	30	20	HKED	
Cc1nnc(Sc2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)c(C)c2)s1	548282591	LFHIYOYNMFTBMK-UHFFFAOYSA-N	400.916	5.084	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C2CC2)c(OC)c1	549179784	DRIUKEDAUKNRGH-KRWDZBQOSA-N	421.541	5.338	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	558342734	XEVRAWYMEWSUSQ-COPCDDAFSA-N	419.594	6.098	30	20	HKED	
O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	558770727	PIGCOHROVJHEMI-KBPBESRZSA-N	412.349	5.193	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3cc(C#N)ccc3NC3CC3)cc2)cs1	560711758	RJRLORLKEHQZMW-UHFFFAOYSA-N	420.563	5.442	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1	569983669	AWMZVAGUQLMCAK-UHFFFAOYSA-N	409.486	5.054	30	20	HKED	
COc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)c(C)c1OC	577553147	BNXZIQKJWBHFKB-KRWDZBQOSA-N	400.478	5.042	30	20	HKED	
N#Cc1ccsc1NC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1Cl	582628953	CQRRWZUQDFTGHT-LJQANCHMSA-N	416.333	5.244	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1	588934162	GXAHTEQMUDMBAK-IAGOWNOFSA-N	406.835	5.723	30	20	HKED	
COC(=O)[C@H](Nc1ccc(Sc2ccccc2C#N)cc1)c1cccc(OC)c1	600856678	PWSKIVHBJGVNNZ-JOCHJYFZSA-N	404.491	5.044	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1NC(=O)c1ccccc1F	603637184	GADNVQFLARJJQH-UHFFFAOYSA-N	419.481	5.061	30	20	HKED	
Cc1ccnc2sc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c(C)c12	603638279	HRQNPGQQKZKCRH-UHFFFAOYSA-N	413.502	5.616	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3Cl)c2C#N)C1	603946666	SSZLVUYDHJUEEW-SECBINFHSA-N	409.736	5.413	30	20	HKED	
CCCCN([C@H](C)c1ccc(C)o1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	604494332	FIRDTWGDWOBJNR-CQSZACIVSA-N	414.449	5.031	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F	608334381	RVKIIWIKMDZQQG-AOOOYVTPSA-N	422.291	5.608	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C(F)(F)F)cn1	609061403	NXEHPZLBVXRITP-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1	609378131	SGZFOMWQHWHQEY-HNNXBMFYSA-N	405.479	5.036	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2)CC1	609439068	WCPGENITPSAJBJ-IBGZPJMESA-N	422.598	5.115	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609498857	QLNBHJBVXWANHR-INIZCTEOSA-N	406.432	5.656	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl	609682275	HBSSTHSPERESOA-MGPUTAFESA-N	401.963	6.253	30	20	HKED	
COc1ccccc1CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609723290	BQVDOWZEWMOTEP-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
Cc1cc(Cl)cc2nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)oc12	609750790	DXXQGRNBSYIRTN-SNVBAGLBSA-N	417.943	5.331	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610319839	LIGZRDCRXLWTRA-ZHRRBRCNSA-N	416.456	5.500	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cccc(C#N)c1	610406544	CYKSVLSKYAECAL-AWEZNQCLSA-N	418.310	5.141	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C	615971636	PLGGJKXUGJDIJB-UHFFFAOYSA-N	420.532	5.340	30	20	HKED	
N#C[C@@H](C(=O)c1cccn1Cc1ccccc1)c1nc(-c2c(F)cccc2F)cs1	620304468	BQQLYTDETDDWRE-INIZCTEOSA-N	419.456	5.428	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-c2ccccc2F)o1	642158183	RWDOOPIZGNHJHE-GHMZBOCLSA-N	423.328	5.725	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H](OC1CCOCC1)c1ccccc1	677508960	RIBCDSRMDFWREB-XMMPIXPASA-N	417.530	5.023	30	20	HKED	
Cc1[nH]c2ccccc2c1C1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1	726471964	WNOXUWLPNLYXHA-UHFFFAOYSA-N	408.958	5.578	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1	727330720	SMIAXNKXFUVFID-DEOSSOPVSA-N	413.473	5.348	30	20	HKED	
CCc1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	727954523	QSQXKRINXKEHFO-WBMJQRKESA-N	402.441	5.857	30	20	HKED	
COc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)cc1Br	727974668	OXCKCTQLENSMPY-CSKARUKUSA-N	400.297	5.477	30	20	HKED	
Fc1cc(Br)ccc1NN=Cc1ccccc1OCc1ccncc1	728432247	LMSJTPLLKOFELT-UHFFFAOYSA-N	400.251	5.008	30	20	HKED	
Cc1occc1-c1nn(CN(CCC#N)CC(C)(C)C)c(=S)n1-c1ccccc1	729467888	HMMGTZNNTALJTH-UHFFFAOYSA-N	409.559	5.191	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc2cc(F)ccc2s1	730695791	MOPLEXQRPHEHAV-MGPQQGTHSA-N	405.281	5.722	30	20	HKED	
C[C@H](NC(=S)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1Cl	730954962	PZBVRVSHWAOWBU-OLZOCXBDSA-N	424.422	6.293	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCc2ccccc2C1)c1nc2cc(C(F)(F)F)ccc2s1	732596004	GSNDHTGTVWEBDR-SUMWQHHRSA-N	414.452	5.687	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)sc2c1	732707970	IFYGRMKUIPDAJB-INIZCTEOSA-N	402.947	5.449	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl	741066979	DOIIFYBCWBAMSK-LRDDRELGSA-N	424.353	5.100	30	20	HKED	
COc1ccc(CNc2ccccc2S[C@H](C)CC#N)cc1SC(F)(F)F	742259631	KLQUMPRJFQUULI-CYBMUJFWSA-N	412.502	6.313	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1nnn(-c2ccccc2)c1C	743444406	MBECDJMSNCSPBN-UHFFFAOYSA-N	416.432	5.040	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(C3CCCC3)nc2C)cc1	744032282	CRJYDWCYIKGPEP-IFXJQAMLSA-N	409.555	5.584	30	20	HKED	
COc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1OCc1cccnc1	746575885	DTSCSURFTUNBLT-UHFFFAOYSA-N	416.399	5.239	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1coc(-c2ccc(Cl)cc2)n1	748100552	RZRRGNWSMDEHEA-UHFFFAOYSA-N	420.900	5.407	30	20	HKED	
N#C[C@H](C(=O)CN1CCCSc2ccc(Cl)cc21)c1nc2ccccc2s1	750840935	ZPYYYXCEICYEHN-CQSZACIVSA-N	413.955	5.128	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)ccc1OCC(F)(F)F	750908420	GLADFRCMIMYXTC-NTMALXAHSA-N	416.399	5.108	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1	752638129	XBOALEXSHORSSX-TWJOJJKGSA-N	420.516	5.646	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1NC(=O)OC(C)(C)C	755423157	DZOIICMLPIJJQC-UHFFFAOYSA-N	420.962	5.506	30	20	HKED	
CCCOc1c(Cl)cc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)cc1OC	758063141	RWEAAXSWKWVNGA-SNAWJCMRSA-N	423.943	5.139	30	20	HKED	
N#Cc1cc(COC(=O)c2csc(-c3cc(Br)cs3)n2)ccc1F	758940409	QTCFYQTZFBVNHS-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccc(Cl)c(F)c2)nnc1-c1ccccc1C	759046047	DPLXRAGTUJMYMK-GOSISDBHSA-N	403.910	5.058	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(F)ccc2Br)S1	761177745	UUIDNVWMMYNDIN-OQLLNIDSSA-N	405.292	5.097	30	20	HKED	
COc1cc(C=NOCc2cccc(NC(=O)OC(C)(C)C)c2)ccc1OC(F)F	761371141	IVNUPJZZVPLZGK-UHFFFAOYSA-N	422.428	5.194	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(C#N)s2)c([N+](=O)[O-])cc1OCc1ccccc1	762442343	JHXDZOJJMTVEIT-VQHVLOKHSA-N	420.446	5.012	30	20	HKED	
N#Cc1cc(NCc2ccc(Oc3cccc(F)c3)cc2)ccc1N1CCC(O)CC1	767692909	XPBKRGVAJQYZPE-UHFFFAOYSA-N	417.484	5.063	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1N[C@@H](C)c1ccc(OCC#N)cc1	768264968	PDLFTZPINAPMTL-KRWDZBQOSA-N	419.912	5.976	30	20	HKED	
Cc1csc(CCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1	774054828	MQYANKGXMLKLQP-ATFGOMPUSA-N	411.596	5.185	30	20	HKED	
N#C[C@H](OC(=O)CCc1ncc(-c2ccccc2Br)o1)C1CCCCC1	776379144	UBANKHLUTUENFA-KRWDZBQOSA-N	417.303	5.052	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)c(Cl)c1Cl	777113854	FNKUPYMVCOCCLN-LBPRGKRZSA-N	424.759	5.653	30	20	HKED	
N#CC1(c2ccc(C(=O)OCc3ncc(-c4ccccc4Br)o3)cc2)CC1	777173561	SPCGNGJDSFYTOB-UHFFFAOYSA-N	423.266	5.016	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2/C=C\c2ccccc2)c1=S	779890028	SSHXPPRFMRDEET-GMAFFVFYSA-N	417.582	5.187	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780552439	WTIXESKUUJTFGP-MOPGFXCFSA-N	415.493	6.070	30	20	HKED	
COC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F	783084642	BIBIGHQQSXJFHH-UHFFFAOYSA-N	424.272	5.294	30	20	HKED	
CCCc1c(NC(=S)N[C@H](CC)c2cccs2)cnn1-c1cccc(C#N)c1	783950767	DLACIDKHMGGMJP-QGZVFWFLSA-N	409.584	5.196	30	20	HKED	
COc1c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2ccccc12	788852927	KGNVBXQRAHFAIJ-NRFANRHFSA-N	411.461	5.419	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790871616	BXPAYICBTVGPKW-UHFFFAOYSA-N	423.513	5.264	30	20	HKED	
N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nccc2ccccc12	792095797	MJPBMGIELLSJHM-HXUWFJFHSA-N	421.525	6.104	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)s1	797567896	CASBAQFQHFZDEG-GFCCVEGCSA-N	401.582	5.353	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	799225544	MOXCPACAEQRPJH-QEJZJMRPSA-N	404.297	5.352	30	20	HKED	
Cc1cc(Cl)nc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	800545013	HSERNBNILPHIII-UHFFFAOYSA-N	410.836	5.168	30	20	HKED	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	801614688	QAEKGDGNEHLXSV-UHFFFAOYSA-N	416.481	5.285	30	20	HKED	
N#C[C@@H](C(=O)C1CCN(C2CC2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	805856922	HLYXBLXHMXDOFK-INIZCTEOSA-N	420.365	5.168	30	20	HKED	
COc1cccc(C2(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1	809872722	MBZQGJRBPCZIME-XMMPIXPASA-N	411.505	5.204	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc3ccccc3o2)c1	812450202	ALINEBPKKLPNSY-UHFFFAOYSA-N	406.511	5.206	30	20	HKED	
C[C@H](N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1	816566740	DWOJIEUOQJPXES-ZWKOTPCHSA-N	405.542	5.131	30	20	HKED	
N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(C3CCCCCC3)no2)CC1	904680256	RWZRRDHIJXBGTR-UHFFFAOYSA-N	407.474	5.011	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(/C=N\C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1O	914703708	XQSOMGNUHAADSY-WKYKRLJTSA-N	418.721	5.282	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915353737	QIZCSNGHUQYBHQ-KKSFZXQISA-N	405.448	5.845	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccccc2c(Cl)n1	915860376	TZLDHAIHVDZZPU-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C2SCCS2)cc1	916915929	LDENMIITSBOGKB-IBGZPJMESA-N	418.543	5.280	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc3ccccc3n2)cs1	917532569	SSRSPCFFYGCTBC-UHFFFAOYSA-N	401.495	5.130	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Br)c1	920102591	WZTOXIWJJKFQNN-OAGJVSPASA-N	421.294	5.152	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3)CCC2)cc1	1789456077	KCCDACGHESQRNN-QHCPKHFHSA-N	418.537	5.211	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)n(C)c3)CCC2)cc1	1789626097	JMPIWVLAJHMYOJ-UHFFFAOYSA-N	407.558	5.074	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1828829671	KXVFZVLPSDAGKQ-JQYIIUTOSA-N	412.618	5.121	30	20	HKED	
C=CCN(C(=O)c1cc2cnn(C(C)C)c2nc1C)c1nc(-c2ccccc2)cs1	10444740	RELMPVMFAKJACM-UHFFFAOYSA-N	417.538	5.277	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccoc1C	23519264	UDSBYJWZHXZDRQ-INIZCTEOSA-N	424.570	5.277	30	20	HKED	
C=C(C)COc1cc(CNCc2cccnc2Oc2cccc(F)c2)ccc1OC	60947611	ORPSZFLRQUOUEP-UHFFFAOYSA-N	408.473	5.266	30	20	HKED	
CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)c1cc2ccccc2o1	63559818	KYQBTGMLMFBPLI-HNNXBMFYSA-N	407.539	5.266	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1	65870111	RIYTYXWXZXQNQF-UHFFFAOYSA-N	421.500	5.455	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1	303417915	TURDERBPUNTQQI-VWLOTQADSA-N	423.516	5.107	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCSc2c(F)cccc21	303419234	XVBWICNJHNDFMX-BBRMVZONSA-N	401.532	5.436	30	20	HKED	
COc1cccc(C(NC(=O)Nc2ccc(C#N)cc2Cl)c2cccc(OC)c2)c1	426157823	YKKVVPGBKSSGRE-UHFFFAOYSA-N	421.884	5.140	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cc([C@@H]2CCCO2)nn1C)c1ccc(C(F)(F)F)cc1	433440248	RKRHUVQNXTUQDZ-AEFFLSMTSA-N	422.451	5.119	30	20	HKED	
CC(C)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccnc1	434343764	HXZQUVTZCMUEHE-HSZRJFAPSA-N	415.562	5.415	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](Sc2cccc(C#N)c2)c2ccccc2)c([N+](=O)[O-])c1	435039516	HIHXONPDJYYRKS-NRFANRHFSA-N	403.463	5.247	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1	435595372	BUCMBHDFNGCRRR-QABMSTFYSA-N	418.562	5.823	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1	436312415	ZYKFDHPOYLTSPQ-RHDGDCLCSA-N	401.432	5.574	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	437808196	XGDQULWXNLLWIH-DJJJIMSYSA-N	403.404	5.201	30	20	HKED	
CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1C	438664821	NCPQOGBFMIVHMT-UHFFFAOYSA-N	418.428	5.401	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1	439143249	YPIAJLNNXNJYMB-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1c1ccc(C(F)(F)F)cc1	441255139	GLFCQZJMWIDFOB-JLTOFOAXSA-N	412.415	5.210	30	20	HKED	
O=C(Cc1cccs1)Nc1ccccc1NCC#Cc1ccc(C(F)(F)F)cc1	443536665	CQWAYHOPAZJQDN-UHFFFAOYSA-N	414.452	5.412	30	20	HKED	
C=CCOCCCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	443813361	HERDJQDJHMKQBA-UHFFFAOYSA-N	421.349	6.251	30	20	HKED	
CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	446373821	ZJWNYEFXIVIKLO-UHFFFAOYSA-N	417.440	5.190	30	20	HKED	
C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N(C)[C@H](C)CC#N	460378418	XYWMTVWEGYEPDJ-QGZVFWFLSA-N	412.497	5.068	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cs1	463981603	NQGYJDCQNGYEOS-INIZCTEOSA-N	420.538	5.128	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(CC(F)(F)F)c3)c2)c1	464416093	FTEIVCCWWOXVRL-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Br)ccc1Cl	464942528	QQOXECLAYGZPGM-WMZOPIPTSA-N	403.707	5.014	30	20	HKED	
COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	466133306	URLZJMDBIIPKFV-MRXNPFEDSA-N	419.456	5.689	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C	468340036	UJUWCCOZEMUERA-IBGZPJMESA-N	422.529	5.502	30	20	HKED	
N#C[C@H]1N(C(=O)c2sc3cc(Cl)ccc3c2Cl)CCC[C@@]12CCCCO2	468647238	DBPWVOJVICNZFU-BEFAXECRSA-N	409.338	5.276	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c(C(F)(F)F)o1	471723009	DEYWJIXLUKRIFS-UHFFFAOYSA-N	413.289	5.276	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N(CCC#N)Cc1ccccn1	473782080	AQVUYNSZPVNUDB-HXUWFJFHSA-N	414.509	5.478	30	20	HKED	
C=CCCC1(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CC1	474907678	MNWYAAPILKFKAW-UHFFFAOYSA-N	400.881	5.094	30	20	HKED	
Cc1c(F)ccc(Cl)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	475123438	XMECTMZCTFBGPI-UHFFFAOYSA-N	418.906	5.055	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1c(F)cccc1F)N(C)C	475577668	GCJKZXYIWHOIFI-HXUWFJFHSA-N	401.501	5.241	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)N(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1	476879338	FBJLXJCGZPDCLO-KXBFYZLASA-N	414.347	5.044	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@H](C#N)c1nccc2ccccc12	483195832	JFOHSXGWTDSVBC-GOSISDBHSA-N	421.378	5.707	30	20	HKED	
Cn1c(SCc2ccc(F)cc2C#N)nc2scc(-c3cccs3)c2c1=O	483300329	SSLBMWACFZOIRA-UHFFFAOYSA-N	413.524	5.027	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	484977193	AVMNGNUVMOSIHI-KSSFIOAISA-N	404.297	5.306	30	20	HKED	
C=CCSc1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1	485452059	FFIDRFWOXUOXCW-UHFFFAOYSA-N	400.975	5.013	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1coc(C2CCCCC2)n1	485731185	LTIDMOQNJJBWFF-UHFFFAOYSA-N	402.454	5.342	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1cc(-c2ccc(Cl)cc2)no1	486454591	ZABRAUAZEVHEFR-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
COc1ccc(-c2cncc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c2)cc1	486562070	FWPPPGGXIWXKAD-UHFFFAOYSA-N	415.537	5.082	30	20	HKED	
C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3o2)nc2ccccc2c1=O	487730877	PHQIOCMWNKPLMQ-UHFFFAOYSA-N	417.412	5.035	30	20	HKED	
C[C@@H](SCC(=O)Nc1ccccc1SCC#N)c1cccc(Br)c1	487933483	URTLMGDPLMSGIN-CYBMUJFWSA-N	421.385	5.498	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(Oc4ccncc4)c3)cc2)cc1	493343714	IBNGCTBPDGHJGY-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccncc1	497075560	ALNBOLRYZOKUPU-HSZRJFAPSA-N	403.457	5.050	30	20	HKED	
Cc1c(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)sc2ccc(C#N)cc12	499494046	AUPJJAPHFHCIRY-ICSRJNTNSA-N	408.498	5.213	30	20	HKED	
N#CC1(CCCN(Cc2ccc(Cl)cc2)c2ccc3nc(O)[nH]c3c2)CCOCC1	499538497	OQGSUNHBXPMMTQ-UHFFFAOYSA-N	424.932	5.029	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)c2)cc1	501477131	LTVNBFOAPOCAPG-SFTDATJTSA-N	416.443	5.639	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2SC)cc1	502177497	UAHIUTLEKTYSPG-QGZVFWFLSA-N	409.555	5.105	30	20	HKED	
C[C@@H](SCC(=O)NCC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	506231069	HKOPCKDQYGQRPB-SSDOTTSWSA-N	413.305	5.197	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1F	508113998	KXFJSJRNYNRPDU-KRWDZBQOSA-N	420.459	5.742	30	20	HKED	
C=CCN(C(=O)Cc1cc(C)on1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	510221125	MPQDTYVMDBCBHT-UHFFFAOYSA-N	415.518	5.535	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCCc2cc(OC(F)F)ccc21	511607963	AFNNHZVNNNUKDV-UHFFFAOYSA-N	404.416	5.420	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	511976961	KVAUBJOCMREDRW-MLGOLLRUSA-N	414.365	5.407	30	20	HKED	
C=CCn1c(S[C@H](C(=O)OC)c2cccc(Cl)c2Cl)nnc1-c1ccco1	514117614	YXHDSDIOOXBCKX-HNNXBMFYSA-N	424.309	5.037	30	20	HKED	
C[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)c2cc(C(F)(F)F)ccc2S1	515701570	POXOANVENHEHDP-CQSZACIVSA-N	404.457	5.427	30	20	HKED	
Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	517438043	NBIZNZXFIKQNEF-UHFFFAOYSA-N	406.461	5.064	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ncsc1C(F)(F)F	517713916	MUDSKRFGSPWFEV-SECBINFHSA-N	422.272	5.214	30	20	HKED	
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	518005126	CXVVHHDBFHQHEB-KRWDZBQOSA-N	403.457	5.546	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1C	518753589	UYIBBSXYHXLDRR-UHFFFAOYSA-N	401.466	5.332	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1nc2cc(Cl)ccc2s1	521327142	TXFYVROLSRHJKF-CYBMUJFWSA-N	415.971	5.915	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(Cl)cc1	521720855	YOVZCRXOXQQLOU-LSDHHAIUSA-N	404.988	6.167	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1	521769073	WLARIIZDUFQMCU-UHFFFAOYSA-N	421.497	5.094	30	20	HKED	
COc1cc(C[S@](=O)[C@@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1	523009687	GKTUHBXDXUSDOR-YRVHBCJASA-N	405.519	5.156	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(OC3CCOCC3)cc2)sc2c1CCCCCC2	525133373	HXXZIWOEGTYHQP-UHFFFAOYSA-N	410.539	5.089	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F	527043619	ZGHKUJUWWNQRAW-HNNXBMFYSA-N	401.432	5.461	30	20	HKED	
N#CCCCOc1cccc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1	532120684	XOMGMHVVBNBKOR-UHFFFAOYSA-N	417.484	5.050	30	20	HKED	
COc1ccc(CS[C@@H](C)c2nc(O)c3c(-c4ccco4)csc3n2)cc1C#N	532618352	GMNRUIJTWCEAKC-LBPRGKRZSA-N	423.519	5.532	30	20	HKED	
C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nnc(-c2ccccc2)o1	532689498	MZEUTIZKGPLPKS-CQSZACIVSA-N	414.490	5.605	30	20	HKED	
CCC(CC)n1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C	533796062	LLQUWHHHYPKLAI-UHFFFAOYSA-N	416.525	5.450	30	20	HKED	
Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	534388137	MWENBJQQTBRJQE-AWEZNQCLSA-N	419.344	5.169	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)OCC	534475104	UYGHPSPSTMGWQR-CQSZACIVSA-N	415.843	5.069	30	20	HKED	
CCC(CC)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C	536071673	YMDSMFHFIWLYTD-GOSISDBHSA-N	403.511	5.038	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](C)c2ncc(C)s2)cc1	542671908	XJOZAARMFCJTGQ-AWEZNQCLSA-N	422.510	5.049	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542967340	UZEUUFYITDPKHP-SFHVURJKSA-N	421.500	5.609	30	20	HKED	
COc1ccc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)cc1OCCCC#N	543783434	USDTVWMQUVWGTN-QFIPXVFZSA-N	404.913	5.657	30	20	HKED	
Cc1nc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(-c2ccccc2)o1	544716758	HDWYRCNUXZDHJE-UHFFFAOYSA-N	410.433	5.270	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cc(Cl)cc(F)c2Br)cc1C#N	550322241	MHPUDYLEEQJYBR-UHFFFAOYSA-N	411.658	5.153	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1	550748340	QUTYIUJDWAHXHL-QFIPXVFZSA-N	403.954	5.307	30	20	HKED	
N#C[C@@H](C(=O)c1csc(C(F)(F)F)n1)c1nc(-c2c(F)cccc2F)cs1	551760674	QVEPGAFFOGSWCP-ZETCQYMHSA-N	415.368	5.054	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1	552247887	GICNNGRFULAYGE-UHFFFAOYSA-N	416.344	5.368	30	20	HKED	
C=CCn1c(SCc2cccc(N)c2)nc2sc(-c3ccccc3)cc2c1=O	554342206	VRWOJYFLGBYMHH-UHFFFAOYSA-N	405.548	5.186	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1	554464954	WGKVBNAISXRDBT-NRFANRHFSA-N	400.954	5.356	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	558181860	TXFYPHWFBQSYJI-XLIONFOSSA-N	411.571	5.111	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C4CCOCC4)CC3)c2)cc1	559815687	AWGMQBSFSMXIJU-UHFFFAOYSA-N	405.498	5.021	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](c3ccncc3)C2)cc1	561961107	YRTFSQUAJOFADD-QFIPXVFZSA-N	413.546	5.265	30	20	HKED	
C[C@H](Sc1cccc(F)c1C#N)c1nc(O)c2c(-c3cccs3)csc2n1	562474509	XNXDTOQJQAUZDP-JTQLQIEISA-N	413.524	5.989	30	20	HKED	
COCC[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(Cl)c(Cl)c1	565438198	RORRQQLNQFADPZ-KRWDZBQOSA-N	415.267	5.334	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2cc(C#N)c3ccccc3n2)cc1Cl	568323605	VKSWEXCLZNMLQP-UHFFFAOYSA-N	400.663	5.083	30	20	HKED	
N#CCCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccc(F)cc1	579064287	FEXAQPSATYXPEI-UHFFFAOYSA-N	403.335	5.060	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1F	580646715	OIAPIFIIXWKRHV-UHFFFAOYSA-N	412.877	5.064	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCSc4ccccc43)cn2)c1	603691394	FWFGNEHUEHMHNR-IBGZPJMESA-N	402.479	5.104	30	20	HKED	
CC(C)N(Cc1ccccc1F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	604497469	ZLHCDSDUFSWWCV-UHFFFAOYSA-N	408.502	5.187	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1	605030901	ZQIYBYFIKNAZJF-OAQYLSRUSA-N	411.933	5.405	30	20	HKED	
CCCN(C(=O)c1cc(OC)ccc1Br)c1cc(Cl)ccc1C#N	609285700	DEQSWKQJKNZNJJ-UHFFFAOYSA-N	407.695	5.040	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2)nc1	609514142	CHAAJUPJWXYSPO-UHFFFAOYSA-N	422.488	5.247	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](c2ccco2)C1	609556355	AJGNFTFXLNCQPD-HXUWFJFHSA-N	401.466	5.060	30	20	HKED	
Cc1ccc(SCCC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1C	610053504	IUVCIOCETZWCNE-UHFFFAOYSA-N	404.539	5.099	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1ccc2ccccc2c1	610223875	NYMVAEZLHWQHFL-UHFFFAOYSA-N	421.500	6.124	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc2c(cnn2C(F)F)c1	610962905	RWDFCSRLOVEMQI-GFCCVEGCSA-N	401.442	5.470	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCC[C@@](C)(C#N)C3)c2c1C	612397499	XDGBIKGVKRQGHJ-QFIPXVFZSA-N	422.579	5.225	30	20	HKED	
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1F	612574838	KDYPZNJWCOVRPA-PIGZYNQJSA-N	415.228	5.804	30	20	HKED	
CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	614149279	YLCFREPMOLQKAQ-XMMPIXPASA-N	424.504	5.352	30	20	HKED	
CCn1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	616762368	DULVGMUMMOMAES-NRFANRHFSA-N	406.917	5.481	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)nnc1-c1cccc(C)c1	617940354	HNXQZRFSVZOTNZ-OALUTQOASA-N	420.582	5.106	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1	669813762	LXCLNWOGQYWPQQ-IBGZPJMESA-N	413.525	5.005	30	20	HKED	
O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	681664824	MKRHWTNPNUIQMM-NXEZZACHSA-N	413.667	5.172	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(Cc2ccccc2F)CC1	682371840	DQZPSZHECQJAHC-STQMWFEESA-N	411.361	5.174	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)nc(Cl)c1	727996998	OXPUTFMNPHTVTQ-UHFFFAOYSA-N	412.276	5.400	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	728765826	UBZKJZNXTZVLRS-CQSZACIVSA-N	406.404	5.608	30	20	HKED	
N#C[C@@H](C(=O)CN(C1CC1)[C@H]1CCCc2ccccc21)c1nc2ccccc2s1	728914740	WJHUWTIZGGWRCJ-FPOVZHCZSA-N	401.535	5.015	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1	730061418	UKXKPVFFSFZWEZ-ATIYNZHBSA-N	409.533	5.829	30	20	HKED	
N#CCCSc1ccccc1NC(=S)Nc1ccccc1Oc1ccccc1	730953162	QUUZBDZLCDDTKW-UHFFFAOYSA-N	405.548	6.294	30	20	HKED	
C[C@@H](CSc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	732496020	LIBCXWZOERMWOT-WFASDCNBSA-N	407.322	5.069	30	20	HKED	
Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	733622691	XOJHDYWWEHMAMF-FTJBHMTQSA-N	409.533	5.890	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)c1	733772939	JDZMMGXYBQZSCI-LSSBLYJVSA-N	402.416	5.106	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(-c3cnn(C)c3)c2)cc1	741550808	INCXQTQHBPMTJU-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
N#CCCCOc1cccc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)c1	741841333	FYMQSUCXGULSCS-WDZFZDKYSA-N	405.441	5.920	30	20	HKED	
Cc1ncsc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C/c2scnc2C)C1=O	742431962	QVHAEKCJFDZQLZ-PEMJCMRISA-N	417.559	5.508	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1OC	744028973	NZBQMIQFXBGBRE-PKNBQFBNSA-N	416.521	5.161	30	20	HKED	
C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1ncc(-c2ccc(Cl)cc2)o1	751681016	KHRMGMOQIBOZFQ-AWEZNQCLSA-N	412.898	5.404	30	20	HKED	
Fc1cccc(-c2cnc(CON=Cc3cccc(OCc4ccncc4)c3)o2)c1	754277087	KWHNKKGPOGAFLP-UHFFFAOYSA-N	403.413	5.005	30	20	HKED	
N#Cc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)ccc1F	756259784	JHMHMDSGDSLGKB-RIYZIHGNSA-N	419.268	5.191	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1F	756969249	KGQQQZWGCNAFEO-UHFFFAOYSA-N	402.425	5.121	30	20	HKED	
C[C@H](OC(=O)/C=C/c1ccccc1C#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761061372	XOZZMCZVPXKUJU-CRALRDPISA-N	414.248	5.233	30	20	HKED	
N#CC(CCn1ccnc1[C@@H](O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1	766068086	OASFWGVHQDNZNF-DEOSSOPVSA-N	411.480	5.004	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cccc(-c3ccccc3)c2)ccc1OC	772985005	IFIORBQYYYDFEN-DVECYGJZSA-N	400.522	5.894	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(Cl)c(Br)c2)ccc1OC	776173882	CIRHELGREHDPML-HNNXBMFYSA-N	423.738	5.082	30	20	HKED	
N#C[C@H](OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)C1CCCCC1	776388967	FQOJEOCLIPPRAX-INIZCTEOSA-N	406.269	5.205	30	20	HKED	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	777297014	MVNJTCLTFPUHEZ-ZUOKHONESA-N	421.950	5.209	30	20	HKED	
CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCO1	778256546	NCPTYQMJGRWDIR-HJOGWXRNSA-N	405.542	5.447	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	780553751	BRGUJLGWCUPAGB-OAHLLOKOSA-N	423.419	5.479	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	780677141	HDSVCOAZFVTJNH-UGSOOPFHSA-N	404.297	5.653	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1	781616327	GTYFGLLGMLOKHS-SFHVURJKSA-N	423.375	5.104	30	20	HKED	
Cc1c(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cnn1C(C)(C)C	787186902	PSYMBYVUXUXBNB-KHPPLWFESA-N	411.509	5.090	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ncc(C(F)(F)F)s3)cc2Cl)c1	789746713	LSTLHBZKVZWVCZ-UHFFFAOYSA-N	423.847	5.878	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(Cl)cc2-c2ccccc2Cl)c1	790091945	ZTOSIVLTZBCMLJ-UHFFFAOYSA-N	411.288	5.744	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C[C@@H]1C2(Cl)Cl	791209891	UTDLKIABTHAQGY-PZJWPPBQSA-N	415.320	5.201	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nccc2ccccc12	792093908	KXNSJNBVGIMTCP-IBGZPJMESA-N	417.921	5.795	30	20	HKED	
N#C[C@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cnc2ccccc2n1	792107184	CBBNQGRTPRCVJH-ZDUSSCGKSA-N	415.802	5.210	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cnc2ccccc2n1	792115029	RXLQWZOLGHGYEJ-GPAKFWEMSA-N	401.775	5.192	30	20	HKED	
C[C@@H](Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F	794890767	BXZSGFFAAGSVOT-MRVPVSSYSA-N	410.289	5.024	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1=S	800866485	KLVHVHBNRVEDMV-KOUNCHBCSA-N	417.582	5.030	30	20	HKED	
C[C@@H](N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(OCC#N)cc1	808705386	FTTMPCIOEOIGSR-SZNDQCEHSA-N	424.342	5.561	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(Br)c1	813060651	GDXOTVAIAFIKBA-GUYCJALGSA-N	411.324	5.553	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	813211642	NSGHLKUWTJGBLP-HXUWFJFHSA-N	422.406	5.607	30	20	HKED	
Cc1ccccc1[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1cccs1	815929765	UPEJWNZUMXSNIJ-QGZVFWFLSA-N	402.397	5.288	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)cc1	863949985	GSIFIUBJLQCEOQ-HMMYKYKNSA-N	421.497	5.374	30	20	HKED	
Cc1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	915104364	PDNMAVGXFJJENC-HNNXBMFYSA-N	404.413	5.187	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1	916051491	PFKVUNZNLDBPQU-SANMLTNESA-N	419.484	5.568	30	20	HKED	
O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1cc(F)ccc1F	916134169	FUJHCOVTHLFJJD-DAFODLJHSA-N	418.031	5.092	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2cccc(Cl)c2C)cs1	917548711	QGGKJDAZZHXVGR-UHFFFAOYSA-N	402.882	5.375	30	20	HKED	
CC(=NOCc1cccc(OCC(F)(F)F)c1)c1nc2ccccc2n1C(F)F	918186012	NLQONJGNLMVFHY-UHFFFAOYSA-N	413.346	5.313	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1	918600448	NXHWCMDSHBBXMU-UHFFFAOYSA-N	416.264	5.413	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1Cl)c1nc(-c2c(F)cccc2F)cs1	920804006	IIQIFJADKSNRKI-LJTDUEICSA-N	400.837	5.631	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	920804589	WFYXEKPYWYOFII-GFCCVEGCSA-N	418.852	5.305	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)cc3)CCC2)C1	1786023918	HZYMTUPRNJDSDL-DHIUTWEWSA-N	418.512	5.030	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncccc34)CCC2)cc1	1791247664	FENMPNLSBVWYLV-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1	1831377365	YYUPUPCJFCGMLE-HFMPRLQTSA-N	410.602	5.012	30	20	HKED	
C[C@@H](C#N)Sc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1	7558734	ANUHCDNNZUERNW-HNNXBMFYSA-N	403.532	5.177	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2)cc1	10170736	RPCUDXUEHBOCEL-UHFFFAOYSA-O	403.571	5.711	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc3c(c2)CCCC3)c1	15247788	AWBWMYFXIWOVCZ-UHFFFAOYSA-O	415.582	5.466	30	20	HKED	
CC(C)(C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1	71972032	WAVDSXMUXHGRFJ-UHFFFAOYSA-N	421.366	5.260	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1	78606041	BTNCSJXHBQREJX-UHFFFAOYSA-N	424.815	5.167	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)Nc3ccccc3SCCC#N)c2)c1	78668506	SVMICVSMAROMJH-UHFFFAOYSA-N	402.519	5.832	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(SC(F)(F)F)cc2)cc1	107830591	VDNALYWMWXNYJH-UHFFFAOYSA-N	418.362	5.375	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccccc1F	216612066	YAMCHXZKHIRYKJ-CQSZACIVSA-N	407.474	5.174	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1	237606093	AEQKXPAJKRVMJJ-RTBURBONSA-N	404.485	5.546	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1c(C)cccc1C	303122130	AJUFGEYNPVRIPV-UHFFFAOYSA-N	400.478	5.080	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1F	303153550	GMEOEFLTWKUXTF-UHFFFAOYSA-N	403.457	5.215	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1	303349628	DWUYMBMQXOOPOQ-OALUTQOASA-N	407.583	5.320	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc3cc(Br)ccc3o2)s1	430603518	KLFGVZUAELDORM-GFCCVEGCSA-N	403.301	5.439	30	20	HKED	
N#CCCCOc1cccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c1	433873832	HBMSIUHOEZAOLL-XBLGPDGASA-N	406.448	5.457	30	20	HKED	
Cn1cc(CN[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c(-c2ccc(C#N)cc2)n1	435793113	YOZQGEBRZIYICJ-XGAFWQRZSA-N	410.443	5.013	30	20	HKED	
CCc1ccc(OCc2nnc(S[C@H](C#N)CC)n2[C@@H](C)c2ccccc2)cc1	436043539	SFWMKXKVAFQPJB-UWJYYQICSA-N	406.555	5.423	30	20	HKED	
CCOCCCCNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	438545303	JHLUINUPYSCQKX-UHFFFAOYSA-N	421.419	5.308	30	20	HKED	
CC(=O)c1cccc(C(F)(F)F)c1OCC(=O)c1cn(CCC#N)c2ccccc12	439274665	NXIRTJIBPNGMQJ-UHFFFAOYSA-N	414.383	5.038	30	20	HKED	
N#CCC[C@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1ccccc1	439659132	RQXPUXQNAMAZSW-QFIPXVFZSA-N	408.505	5.119	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1CCC(C)C	442095015	YLIFQKMAKINCMB-AWEZNQCLSA-N	414.481	5.129	30	20	HKED	
C[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)c1cccc(C#N)c1	442906186	WSRVSERYWBCKHV-KURKYZTESA-N	421.570	5.127	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)c1cn(CCCC#N)c2ccccc12	444364992	BBHHDDORIHKOIN-UHFFFAOYSA-N	400.507	5.629	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC(=O)Nc1cc(Cl)ccc1Cl	464819210	BAPWRRPJMHDIRF-XLIONFOSSA-N	402.325	5.094	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC(c4nc5ccccc5s4)C3)c2)cc1	465520093	LMGLWZQUJDJXIG-UHFFFAOYSA-N	411.486	5.200	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1	466348396	VTHXFVWHNVMVQO-HNNXBMFYSA-N	407.926	6.049	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccccc2SC[C@@H](C)C#N)c1	467760934	WTXPTAICFFBFTC-VQTJNVASSA-N	420.582	5.303	30	20	HKED	
O=C(c1cccc(COc2cccc(F)c2)c1)N(CCC(F)(F)F)CC(F)(F)F	468524505	XAFYWSMMAUTXPQ-UHFFFAOYSA-N	423.328	5.362	30	20	HKED	
O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F	468548899	QXPLBUJDMUHHRZ-QWRGUYRKSA-N	423.275	5.032	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)nc2ccccc21	475028865	BZZKUMHGBJVMRX-CQSZACIVSA-N	409.367	5.342	30	20	HKED	
C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	480126636	SMHOFAWOCICLDT-HRAATJIYSA-N	404.901	5.615	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	480947779	AMKWXDATKISFBT-OAHLLOKOSA-N	409.902	5.074	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc(C)n1	482562795	UWNNZCYLTLCEAW-MRXNPFEDSA-N	412.280	5.029	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C	482588941	RKIPNGACXRQVDA-AAEUAGOBSA-N	400.454	5.054	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)NCc1ccc(Oc2cccc(OC)c2)nc1	483857427	OKSFCIAPCGIYMX-UHFFFAOYSA-N	409.530	5.160	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	484568448	PFSPXGULFXEKJA-QGZVFWFLSA-N	412.946	5.272	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1	484772021	OPRRAROGTFKBSF-VWLOTQADSA-N	418.537	5.234	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)N[C@H](CCCC#N)c3ccccc3)c2c1C	487469832	GVJTVKJIZYXHHA-GOSISDBHSA-N	424.595	5.342	30	20	HKED	
N#Cc1cc(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)ccc1Oc1ccccc1	501567822	GBXQIIHOGZOGAV-PSGUAHCZSA-N	420.509	5.043	30	20	HKED	
COCc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	502469183	RUXDUKRZCSHOFZ-UHFFFAOYSA-N	421.884	5.581	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)cc1Cl	502600013	GNYXGBWUXQJJLC-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CSc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl	505913764	WUJSIFMNIRUKNM-CQSZACIVSA-N	419.255	5.729	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	508300239	MIJZZYGJDBPMDD-UHFFFAOYSA-N	413.477	5.579	30	20	HKED	
N#C[C@H](C(=O)c1cncn1-c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	509535898	GYSFDCXSSKTOSY-QGZVFWFLSA-N	422.872	5.278	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	509672783	WQIQWWQGOWMOEL-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)[C@H]1C[C@@H]1C(F)F	509870882	QLRPFEMPVNRUED-STQMWFEESA-N	421.312	5.293	30	20	HKED	
Cc1c(C#N)cccc1C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	510380900	VEBSYUARSGTDDV-MRXNPFEDSA-N	400.322	5.309	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1CCCN(C2CCC2)C1	512711323	GRLSNSANDGNRRV-UYAOXDASSA-N	418.541	5.125	30	20	HKED	
CCOc1ccccc1C1=CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	513501320	SEGOGIBJTWRCKZ-UHFFFAOYSA-N	408.501	5.553	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1	515825384	RBTADAVNKUPODE-UHFFFAOYSA-N	423.513	5.037	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	518205731	QQPCXIOMNPYNDN-NWDGAFQWSA-N	424.410	6.018	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C(F)(F)F)c3)n2)cc1	518515494	SISLMFFRXDDWOD-INIZCTEOSA-N	402.397	5.328	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	518662499	GQOVVIBUCJKSNW-HUUCEWRRSA-N	406.473	6.089	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1	521187188	AIMOSNPAXYSLRY-HNNXBMFYSA-N	423.866	5.298	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1-c1ccccc1	521813344	IHFFSEDIFJIUNU-SFHVURJKSA-N	401.535	5.798	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)o2)cc1	524114357	UFTHILCXQWEQIP-UHFFFAOYSA-N	402.450	5.304	30	20	HKED	
COC[C@@H](C)n1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	527082190	RPZYDHAIOHEBNR-BEFAXECRSA-N	423.904	5.043	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@@H](c3ccc(C)cc3)C2)cnn1-c1cccc(C#N)c1	527381634	QNGRHZUTOWIGQX-OAQYLSRUSA-N	413.525	5.026	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	533936251	FBPJNXJBLBJYDY-GOSISDBHSA-N	418.378	5.201	30	20	HKED	
CCNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1	536415404	WPNGRTMMUOCQPX-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
CN(Cc1cccc(OCc2cccc(C#N)c2)c1)Cc1nc(C(F)(F)F)cs1	536664445	CMFCQKCIRRRMEU-UHFFFAOYSA-N	417.456	5.245	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccccc1C(F)(F)F	537158412	AAVFFWMZTLNYNF-LSDHHAIUSA-N	421.488	5.389	30	20	HKED	
COc1cc([C@H](C)NCC#Cc2ccccc2Cl)ccc1OCc1ccncc1	538156427	YVPABIBLMDVFSH-SFHVURJKSA-N	406.913	5.025	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	538162668	HBYAZMJJTDOJGO-QZTJIDSGSA-N	411.571	5.157	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)o3)n2)cc1	542286324	FOXHYLPEYSNADI-GOSISDBHSA-N	400.459	5.569	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccc(F)cc1F	542935042	YXLDCTYXSOFASH-HZPDHXFCSA-N	405.448	5.181	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1F	543892362	PBSPVBVWGSGOFJ-XLIONFOSSA-N	413.468	5.446	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N1C(=O)CN([C@@H](C)c2ccccc2)C1=O	553129675	MBMZDLIXXHTOTH-SFHVURJKSA-N	411.461	5.189	30	20	HKED	
CN(C(=O)CC1(C(F)(F)F)CC1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	554736664	LASYOHQZDUDWOO-GFCCVEGCSA-N	407.276	5.500	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C(C)(C)C)cs1	557423073	ZHQIRIPOFHFDNF-HNNXBMFYSA-N	420.538	5.987	30	20	HKED	
COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCCC(C)(C)C#N)cc1	557790186	UFRGOZVKGDUZEW-UHFFFAOYSA-N	422.554	5.195	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCn4c(cc5ccccc54)C3)cc2)cc1	571311365	GZURAPKMTRXXIQ-UHFFFAOYSA-N	422.488	5.743	30	20	HKED	
CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	579639373	LSCKDIGKHGQQCE-MAEOIBBWSA-N	417.431	5.935	30	20	HKED	
COc1ccccc1[C@@H]1CCCCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	592344926	VVBMVAAPDJSWSM-FQEVSTJZSA-N	416.443	5.002	30	20	HKED	
C=CCOc1c(Br)cc(CNC2(c3ccccc3)CC2)cc1OCC	598035523	FZPGOXFQZSQIEB-UHFFFAOYSA-N	402.332	5.192	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)C(=O)c1ccccc1	602164266	UNVGKJOQIVNPBI-LJQANCHMSA-N	414.480	5.448	30	20	HKED	
C=CCN(C(=O)[C@H](C)Oc1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603459385	VVRRZOJWAQWRLT-INIZCTEOSA-N	423.494	5.013	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1F	605074947	KEQATMCHUUXONK-SFHVURJKSA-N	416.349	5.844	30	20	HKED	
CCOc1c(F)cccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	608552841	DURBBVQBKHZXCR-GFCCVEGCSA-N	408.376	5.343	30	20	HKED	
COc1cccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	609078809	PQJBNDAFAUNVNH-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
N#C[C@H](NC(=O)CCSc1ccccc1)c1ccc(OCc2ccccc2)cc1	609171801	CLWHYISVVFCVRG-QHCPKHFHSA-N	402.519	5.129	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1cccc(Cl)c1	609387436	CQUSBBFIRXZXTP-OAHLLOKOSA-N	420.987	5.342	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)c1	609428576	UXIRBLFBPOFECG-INIZCTEOSA-N	407.564	5.694	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](n3ccnc3)C2)cc1Cl	609554053	RGPWDSGGJCMEKN-CTNGQTDRSA-N	419.916	5.061	30	20	HKED	
C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(Cl)c1Cl	609795958	JMVNOVWYVGOOOR-ZDUSSCGKSA-N	415.276	5.528	30	20	HKED	
C[C@H](SCc1nnc(-c2ccccc2Br)o1)c1ccc(C#N)cc1	609825527	CLFRMSQDUWOLBD-LBPRGKRZSA-N	400.301	5.365	30	20	HKED	
N#Cc1cnc2c(F)ccc(F)c2c1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	610275864	UTUNHEUMJWJWPK-QGZVFWFLSA-N	420.246	5.269	30	20	HKED	
C[C@@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1cccc(C#N)c1	610361018	NDRACTWXWZNWOL-SNVBAGLBSA-N	408.832	5.936	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F	612286876	KETKLDCAGZBQEF-GFCCVEGCSA-N	424.904	5.605	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccncc1	614179225	JYOQREWLZGPIAI-IBGZPJMESA-N	415.537	5.321	30	20	HKED	
COc1cc(C[S@](=O)[C@H]2CCc3ccccc32)ccc1OCc1cccc(C#N)c1	618625125	ZAOXIPXHBALTKM-QCDSWUKFSA-N	417.530	5.082	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C	620564747	JGUMGZQZTPDAGC-NSHDSACASA-N	412.927	5.210	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	674304835	YCVNOIQQXANBQM-HTQZYQBOSA-N	411.239	5.047	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(-c2ccc(F)cc2)on1	675550245	ODCJVWRJUIFEBZ-GHMZBOCLSA-N	424.316	5.120	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)c2)c1	726460580	KGZHRUACYJTGKF-UHFFFAOYSA-N	418.909	5.471	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NCc1ccc(C#N)cc1	728121749	OQAMAZLOQUXMCF-UHFFFAOYSA-N	405.885	5.421	30	20	HKED	
Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(C)c1	730417041	KCFUVTZEIQZWFT-KRWDZBQOSA-N	408.498	5.590	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1nc2ccccc2n1C(F)F	730922457	RHIXSOUAJZRYKJ-CEXWTWQISA-N	401.416	5.565	30	20	HKED	
CCCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2=O)cc1	731332383	KFKKZSXHOSLKQI-HKUYNNGSSA-N	421.566	5.025	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)Nc3ncccc3OCCCC#N)cs2)cc1	731992237	FPVBLQLIQKYNGD-UHFFFAOYSA-N	420.538	5.192	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	732495638	DZONEKFNZCFYNS-SJKOYZFVSA-N	407.322	5.069	30	20	HKED	
Cc1ncc(/C=C\C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1	732901423	RNQDALXLGYBDOU-HGVIRZHMSA-N	409.580	5.266	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1c(Cl)cccc1Cl	733258483	BUBAUCAWVBIDSG-MRXNPFEDSA-N	423.390	5.857	30	20	HKED	
C#CCOc1ccccc1CNC(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1	734172538	WLZBEPVTZFNZDO-MRXNPFEDSA-N	404.432	5.010	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1coc(-c2ccc(F)c(F)c2)n1	735319232	WWQPHASFVKTKQW-UHFFFAOYSA-N	406.841	5.609	30	20	HKED	
Cc1cccc([C@H]2CCCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)c1	735494946	LFPGYWFLYAXSNA-FYYLOGMGSA-N	410.521	5.149	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCCC[C@H]2[C@H](C)CC)c1=S	738058820	VOXSFHKGLDTHCB-MJGOQNOKSA-N	400.592	5.134	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)c1	740917380	OIDDVQWFKLYSHS-CVDCTZTESA-N	405.542	5.440	30	20	HKED	
CCN(C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)[C@@H](C)c1ccc(C#N)cc1	742576234	NLTWEBPHFCTLNE-KRWDZBQOSA-N	407.514	5.437	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1	744027927	DZLIZEWQWQQOOS-OXJNMPFZSA-N	402.425	5.069	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)cc1	744028204	IEMPMNMOOWPECR-KWRJMZDGSA-N	400.400	5.019	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CC(=O)c3cccc(F)c3)n2)cc1	744060780	BALUXUFLEGWNAY-IFXJQAMLSA-N	422.481	5.043	30	20	HKED	
CCC(CC)(C(=O)OCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)cc1	744934111	FPKGYPTXVBQBST-UHFFFAOYSA-N	409.873	5.063	30	20	HKED	
CC(=NNc1ccc(Br)cc1C(F)(F)F)c1ccc([S@@](C)=O)cc1	746372523	QKVVRLNTTCIYGL-XMMPIXPASA-N	419.266	5.041	30	20	HKED	
CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1c(C)nn(-c2ccccc2)c1C	746485127	RUCFPWQOPMKUCV-UHFFFAOYSA-N	407.827	5.392	30	20	HKED	
CC(C)(C)c1nc(C#N)c(NN=Cc2sc(Oc3ccccc3)nc2Cl)o1	746498270	LHZLOMPHKQVTDU-UHFFFAOYSA-N	401.879	5.192	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)c1sc(N2CCCC2)nc1Cl	746868795	IIVZXPJCAKIAPU-UHFFFAOYSA-N	413.955	5.110	30	20	HKED	
COc1cc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCC2)ccc1C	749488104	SIQLRWZIKPBUSA-DEOSSOPVSA-N	410.517	5.720	30	20	HKED	
Cc1ccc(CCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	751152142	LMVBDXOYVSQRFP-CQSZACIVSA-N	408.470	5.884	30	20	HKED	
FC(F)(F)c1cccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1	751369439	QGSGAVJRDRDVMB-UHFFFAOYSA-N	407.399	5.399	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(OC)cc1	752477297	NLPGXTBBTZRYQE-DYVFJYSZSA-N	419.308	5.233	30	20	HKED	
C#CC[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1	757598230	JLHAJISBQDBKEE-LJQANCHMSA-N	414.452	5.252	30	20	HKED	
C=CCC(CC=C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	759007103	KCQDUDDLFYWISR-UHFFFAOYSA-N	412.555	5.565	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Br)cc2Cl)cc(OC)c1OC	765612749	DYQUSQUQQCAITP-QPJJXVBHSA-N	411.679	5.024	30	20	HKED	
N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc2ccccc2s1	769774875	WUMTUIHERWCGSD-GFAPJHNFSA-N	406.816	5.772	30	20	HKED	
CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1F	770112127	UCKNZJQPGFKIOY-GFCCVEGCSA-N	407.392	5.010	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](C3CCCCC3)C2=O)cc1Cl	771820094	QWXBMRIETQPRSS-CTNGQTDRSA-N	407.901	5.001	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)c1	772647412	YFTDWJXKALTIQE-OAQYLSRUSA-N	418.880	5.367	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)c1	772985760	YEQZIFWSZSQQQX-TZIWHRDSSA-N	403.551	5.658	30	20	HKED	
CC[C@H]1C[C@@H](C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)CCO1	779760434	WZLYKJBXBQZBCE-YOEHRIQHSA-N	415.946	5.126	30	20	HKED	
C#CCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	779845624	GOLAVBJNQRBKTQ-UHFFFAOYSA-N	420.406	5.619	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Nc1ccccc1O[C@H](C)C#N	780681681	OBOHWPRJBYAMGX-NVXWUHKLSA-N	420.538	5.634	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)n1	784524028	JAFVNSSDCOMGMR-HNNXBMFYSA-N	408.445	5.364	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1	789355447	FFGASRPDUICBAW-FQEVSTJZSA-N	418.484	5.141	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1sc2ccc(C#N)cc2c1C	796625808	LCCCUJWRQXOZRB-INIZCTEOSA-N	420.534	5.697	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	796743226	FUJBDIUGLPMSJL-IBGZPJMESA-N	420.415	5.552	30	20	HKED	
CC(C)(C(=O)OCC1CCC(C#N)CC1)c1csc(-c2c(F)cccc2F)n1	797165181	STTRDPBZBAMFCY-UHFFFAOYSA-N	404.482	5.239	30	20	HKED	
N#CC[C@H](CC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccccc1	809128128	OIJQOJARWKDWGN-CRAIPNDOSA-N	415.333	5.940	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C(C)(C)C)c(Cl)c1	810529678	LUQWZLQYKHUQQN-GOSISDBHSA-N	410.945	5.723	30	20	HKED	
CC(/C=C\C(=O)c1cc2c(s1)SCC(=O)N2)=C/c1ccccc1OC(F)F	811694951	YDFTUCGHCXTSRV-NJMVCRMVSA-N	407.463	5.236	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1csc(C)n1	812420088	SXTIRCSMBDDZNK-UHFFFAOYSA-N	413.568	5.244	30	20	HKED	
CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1	813378486	VUQSFLMXHRKGTP-DQEYMECFSA-N	424.500	5.040	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)cc1	815789056	UMNGNPYLZZKJSP-HXUWFJFHSA-N	409.555	5.067	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)cc1	915986781	CHAXHRPOQXETPI-XGICHPGQSA-N	415.493	5.087	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cc(Br)c1O	916137522	CSVNJZQSQGBYKZ-DJWKRKHSSA-N	402.071	5.366	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C(F)(F)F)cc3)n2)cc1	916972583	OMJMMZGECFINHV-KRWDZBQOSA-N	400.425	5.556	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	920016468	AJKUTCQBDZSRGQ-UHFFFAOYSA-N	405.523	5.385	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)s4)CCC3)cc2)C1	1785806968	YDJXIPKBVJLIJI-UHFFFAOYSA-N	400.931	5.115	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(Cl)s4)cc3)CCC2)C1	1786732687	QRORGZUQXFRUNZ-UHFFFAOYSA-N	414.958	5.044	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnc(CCCCC)s3)CCC2)cc1	1792267595	ZGHDQTKUCFTPNI-UHFFFAOYSA-N	423.582	5.037	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC)C2	1798333029	PJEBQMDZDFBAKL-VICKOHNTSA-N	422.613	5.223	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CC=C)C(=C)C)n[nH]1	1819301668	OCBNALJGFFBGAT-QUCCMNQESA-N	412.578	5.163	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2C)CC1	1825780671	HCRTYWVJTAIVFV-OAQYLSRUSA-N	414.615	5.058	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(SCc2cccnc2)cc1	28731133	LPKSMZXAFFTHLY-UHFFFAOYSA-N	421.525	6.165	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	97547899	BUQZHMFRPMHPOK-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
C[C@@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCCCC#N	102044637	RHAPCQJGTYVZIL-MLHJIOFPSA-N	414.550	5.389	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccccc2OCCc2ccccc2)cc1	107804163	LBDDDKOFYRWPON-UHFFFAOYSA-N	402.519	5.052	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2/CCC/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1	110652573	IQSQYLRHXHMUQW-SBNWRUDYSA-N	412.489	5.488	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2c(C)noc2n1	117249435	GCIHNVREJXKMIK-IBGZPJMESA-N	416.868	5.401	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	302925801	BMNUWEOQVYPRGZ-UHFFFAOYSA-N	411.530	5.904	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1	431836301	YLRFPNKLJQPQIJ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
CCc1ccc([C@@H]2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	433062409	SUTMWSDLURQEPC-WIYYLYMNSA-N	407.583	5.071	30	20	HKED	
CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	434611273	FMNBOXNLXXYXIT-UZUQRXQVSA-N	413.562	5.488	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1	435133467	BIPFMVFCOOEEBY-MRXNPFEDSA-N	411.958	5.913	30	20	HKED	
Cc1csc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)n1	438224345	KBHWTSNRDZYURW-HXUWFJFHSA-N	404.495	5.388	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)NCC2CCC(C#N)CC2)c1	440996927	HZXPSNRYWQVVEG-DVQVSZOKSA-N	417.553	5.265	30	20	HKED	
COc1ccc(-n2c(S[C@@H](C)c3cccc(C#N)c3)nnc2-c2ccccn2)cc1	442919999	NKTYVRBUCBSGBO-INIZCTEOSA-N	413.506	5.063	30	20	HKED	
C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	443812799	GDEKMTCIGVMPTH-BLIXFSHQSA-N	423.944	5.019	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	444025264	UDDMBXGBSRCIQG-INIZCTEOSA-N	415.337	5.587	30	20	HKED	
CC[C@H](Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1ccc(C#N)cc1	448026355	HXOBGKAVWPCMCL-FQEVSTJZSA-N	412.331	5.120	30	20	HKED	
C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1cccc(C#N)c1	462146049	KLTLSQZLQNVIMK-BTYIYWSLSA-N	404.901	5.069	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1	464473340	GVBFJYQPJXOKJR-GOSISDBHSA-N	424.382	5.234	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1Cl	464952406	NHNDHPLHFGYBQW-FUHWJXTLSA-N	403.707	5.014	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1OC(F)(F)F	469257854	PKYRLZVLGJFFDT-HNNXBMFYSA-N	417.431	5.341	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1	470719869	MLNZIYVMDIFEDL-IBGZPJMESA-N	408.486	5.156	30	20	HKED	
CSCc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1F	473927493	JHLSMSCOJWCJKP-ZDUSSCGKSA-N	418.465	5.580	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)c1nnc2n1CCCCC2	473946383	QEYVUWSJINMEQK-KRWDZBQOSA-N	424.863	5.079	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	475002067	QKYJJXLCIYHDOB-CQSZACIVSA-N	419.407	5.163	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ccccc2OCC)CC1	475542919	AZBPINAAWJHZFA-UHFFFAOYSA-N	407.558	5.291	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(CNc2ccnc(C)n2)c1	476795295	JYRYRTQUJKVOOK-UHFFFAOYSA-N	400.526	5.501	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCc1c(F)cccc1Cl	476941345	KGZCCRHNOJPVIW-AWEZNQCLSA-N	422.978	5.788	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(F)c(F)c1	477753614	FTVIMYGOXKAHEP-FCHUYYIVSA-N	411.427	5.205	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1F	478543048	NJTSSCYDJAMQEU-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	479964156	NFFOCGJXLDPBMC-YWZLYKJASA-N	420.538	5.512	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1F	480920314	KQNVYYIKOSSVFY-UHFFFAOYSA-N	404.294	5.298	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1Br)c1cccc(OCc2ccccn2)c1	481332235	SMCXZKSPDJFLSR-MRXNPFEDSA-N	422.326	5.146	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cs2)cc1	483222270	BFSSUVYZPRZVSM-QGZVFWFLSA-N	414.490	5.032	30	20	HKED	
N#Cc1ccc(F)c(CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c1	486160644	CEUVZEQJSVIQAK-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3c(Cl)cccc3s2)c1	486184244	IKXHZMXIXPAWSS-UHFFFAOYSA-N	409.854	5.246	30	20	HKED	
Cc1nc(NC(=O)c2c(F)cc(C#N)cc2F)sc1Cc1cccc(Cl)c1F	487622013	UIVUDPUOBRCPHC-UHFFFAOYSA-N	421.831	5.237	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccc(Oc2ccccc2)c(C#N)c1	488200976	NYHXFKVRCBTKFZ-UHFFFAOYSA-N	414.490	5.017	30	20	HKED	
Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc1Oc1ccncc1	489315515	AWQBISQSTJRLPQ-UHFFFAOYSA-N	423.476	5.212	30	20	HKED	
CCC[C@@]1(C(F)(F)F)CCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	499068283	GHHLEAMBNBPQEE-BEFAXECRSA-N	413.509	5.216	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)N[C@H](C#N)c2ccccc2Cl)cs1	505633928	KKFMEGLATSMJRT-GOSISDBHSA-N	413.955	5.392	30	20	HKED	
C=CCn1c(SCc2ncnn2C(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1	509102137	FAMRLFNVVFKGNJ-UHFFFAOYSA-N	410.591	5.067	30	20	HKED	
CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	509557515	GEIDONIIFLXFTA-UHFFFAOYSA-N	409.383	5.081	30	20	HKED	
N#C[C@@H](C(=O)c1occc1CSc1ccccc1)c1ccc(C(F)(F)F)cn1	513167174	UTUYBTZBLJXJIZ-MRXNPFEDSA-N	402.397	5.476	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1	513659943	IFKIUFNQUUOEIB-QGZVFWFLSA-N	417.900	5.026	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC	513727632	MNHGUGVTUUQQDS-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
COC1(c2noc(C[C@@H](CC#N)c3ccccc3)n2)CCC(c2ccccc2)CC1	516214753	YJABABMCRUIIPL-SMCIBBBJSA-N	401.510	5.509	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1c(F)cccc1F	516843599	HAQXSBFSTFCYTQ-HNNXBMFYSA-N	408.473	5.620	30	20	HKED	
CCc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	518668859	QKIHYRFAEHZNPO-UHFFFAOYSA-N	408.445	5.291	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	520316047	ZLQZHUSHBDUBDF-BPLDGKMQSA-N	405.350	5.987	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccnc3)cc2Cl)cc1	520406060	VZCCBEGFUAECPE-NRFANRHFSA-N	418.884	5.768	30	20	HKED	
CC(C)(C)c1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1	521497560	JZOOYCFQVRQWBX-LJQANCHMSA-N	404.901	5.335	30	20	HKED	
Cc1nc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)oc1-c1ccccc1	521668339	RQFXOMKKNBSKKH-CQSZACIVSA-N	405.523	5.279	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=O)N[C@@H](C)c1ccc(C#N)cc1	521767433	LCYSYHFIWJLEFE-HNNXBMFYSA-N	400.320	5.004	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1	524457809	ALCNSHRWSUQYDZ-UHFFFAOYSA-N	413.521	5.734	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	536708263	ZZCLVRVFBCSMQD-GOSISDBHSA-N	407.587	5.545	30	20	HKED	
Cc1sc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1ccc(Cl)cc1	538584135	QNKUGWWDHZGINW-UHFFFAOYSA-N	407.926	5.257	30	20	HKED	
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	539029145	KDPBPGVELMCYRH-IBGZPJMESA-N	415.493	5.156	30	20	HKED	
COc1ccc([C@@H](NCc2cccc(C#N)c2F)c2ccccc2Cl)c(OC)c1	541293219	ZBOJLYQQPZIXFZ-QHCPKHFHSA-N	410.876	5.247	30	20	HKED	
C[C@@H](NC(=O)NCc1cccc2cccnc12)c1ccc(-c2cccc(C#N)c2)cc1	543016324	HRQCAMPMEFLHTG-GOSISDBHSA-N	406.489	5.334	30	20	HKED	
COCCc1nc(C)c([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543033874	QWVPANPSQFCJPV-IRXDYDNUSA-N	405.567	5.591	30	20	HKED	
C=CCOCCCc1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1	546461479	MAVWQKYLTPMEDA-UHFFFAOYSA-N	405.376	5.078	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1	554661110	WBGNNPQNENIMNG-UHFFFAOYSA-N	403.309	5.284	30	20	HKED	
C[C@@]12CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@@H]1C2(F)F	557301381	PSPUWRDPTMMRRX-AZUAARDMSA-N	402.828	5.121	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1cccc(OC)c1	558451914	FQQJOAFWMCXOJS-LAUBAEHRSA-N	422.504	5.093	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(C)=O)c1ccccc1	559103239	LTFPICVTTCSWTJ-FQEVSTJZSA-N	413.930	5.119	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccc([N+](=O)[O-])c1	559374602	BSCSUPDQYMMRRM-CQSZACIVSA-N	405.385	5.140	30	20	HKED	
C[C@H](NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(C#N)cc1Cl	565336809	ZMGJYIPJVRDAQW-LBPRGKRZSA-N	420.822	5.217	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N(CCC#N)C(C)C)c2nc3ccccc3s2)c1	571592709	GUCFOJJXYALWOZ-XMHGGMMESA-N	419.550	5.386	30	20	HKED	
N#Cc1c(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)n[nH]c1C1CC1	584674608	ISTGIQSOCGAQJL-UHFFFAOYSA-N	420.538	5.723	30	20	HKED	
Cc1cc(Cc2cnc(NC(=O)CCCCCC#N)s2)ccc1Br	588295679	GGJCMOSGXHXBMB-UHFFFAOYSA-N	406.349	5.217	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(Cc3ccc(OCc4cccnc4)cc3)no2)cc1	589094166	GAEAPUUWTVAQDN-UHFFFAOYSA-N	410.477	5.103	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CSCc3ccccn3)cc2Cl)cc1	604193278	AVCIUEQYUOKYLU-UHFFFAOYSA-N	409.898	5.271	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	607305810	RWAZFJLVGKGSRP-NWDGAFQWSA-N	407.285	5.485	30	20	HKED	
CCCOc1ccc(Cl)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	609206082	CFZNDYWSYYEPNU-UHFFFAOYSA-N	413.905	5.076	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CNc3cccc(Cl)c3)c2)cc1	609622350	LFCWVSIGCWHXBS-UHFFFAOYSA-N	405.885	5.036	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	609694997	RDMCRQMIQORHDG-WOJBJXKFSA-N	420.434	5.621	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCCCNc2ccccn2)c1	609732011	VLDJLLPJRXPGHO-UHFFFAOYSA-N	420.900	5.021	30	20	HKED	
C[C@H](O)CN(Cc1ccccc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	610163651	HESPZTLKEZTVST-KRWDZBQOSA-N	420.896	5.027	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCSc2ccccc21	610225561	KKVJEGLJFMRGER-OAQYLSRUSA-N	400.503	5.877	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1	610323530	FOUQWSPHZVSCAK-KRWDZBQOSA-N	403.457	5.468	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1Br)c1ccc(OCc2cccnc2)cc1	611500951	QCKQKYAKHQDIPT-MRXNPFEDSA-N	422.326	5.146	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(F)cc(Br)c3)n2)cc1	613318008	DNIBZXOIMZGDPK-INIZCTEOSA-N	415.287	5.510	30	20	HKED	
CCCCN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H](C)c1ccc(C)o1	615073975	SSVYAWABZIQJPQ-KMFTYDHNSA-N	424.545	5.118	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Oc3ccncc3)cn2)cc1	619744618	KKGSVFJQLIRMDW-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1	685554805	CZSKSMONFCBWSG-OAQYLSRUSA-N	406.555	5.112	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1	726439570	CNYSRVSFBLCCMG-UHFFFAOYSA-N	401.516	5.459	30	20	HKED	
Cc1ccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(F)c1	728053230	WJLQXQDDTAOIGT-UHFFFAOYSA-N	423.875	5.289	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)c3ccccc3SCC#N)cc2)cc1	728193998	ZFVBQZHMCOOUFO-UHFFFAOYSA-N	406.532	5.714	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(Br)s1	728437752	HYZMBQPVMHVXMQ-NSCUHMNNSA-N	420.309	5.259	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	729891792	MQTYJRFCVCWJSS-IPBJHCPJSA-N	409.436	5.498	30	20	HKED	
N#C[C@@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cccc(C(F)(F)F)c1	731645711	QWTWPPFTAJMGRF-CSHXORCISA-N	415.802	5.301	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)sc2c1	732708598	RBVJXLUNPTUWAO-OAHLLOKOSA-N	412.946	5.486	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC)c1ccncc1	739021079	UPBMBTGOBWXPTP-UXHICEINSA-N	401.938	5.447	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	739156358	WHIJRUSUCDGXAR-QRWLVFNGSA-N	424.422	5.385	30	20	HKED	
COc1ccc(CCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1Cl	739599665	OEYGRKWHEKSVII-UHFFFAOYSA-N	410.926	5.198	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	739668637	HLLUGGGQGGXWNO-VMEIHUARSA-N	414.509	5.190	30	20	HKED	
CC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc(C(C)C)cs1	747194388	ZFYYDCNJIQQJOX-ZBFHGGJFSA-N	405.361	5.474	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(Cl)nc1)C(=O)c1ccccc1	748998108	KOPQFYLTXOWFCL-QNGOZBTKSA-N	418.924	5.765	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2ccccc2n1)c1nc(-c2c(F)cccc2F)cs1	752181048	MJVUWCPUQBFMPH-SNGWPZLWSA-N	417.440	5.526	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1	752652074	CXEHAKKOSIHMTD-WAIKUNEKSA-N	419.456	5.042	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc2ccccc2c1	753394769	LPXBLICTDMKSSO-VBKZILBWSA-N	424.472	5.606	30	20	HKED	
CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C=NOc1ccccc1C(F)(F)F	754960681	GAVYWJIMPHZTRM-UHFFFAOYSA-N	415.799	5.514	30	20	HKED	
O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)(F)c1nccs1	756728121	XFKAAGOGJBXCOG-SECBINFHSA-N	405.266	5.101	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	759338796	PSNNCRPDDDBWCP-GOSISDBHSA-N	422.516	5.369	30	20	HKED	
C=CCNC(=O)c1cccc(-c2noc([C@H](C)Sc3nc4ccccc4s3)n2)c1	761846184	CXXPTTNXXXESOF-ZDUSSCGKSA-N	422.535	5.115	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)s1	762447467	QFGOYEIDFPSXJK-XQRVVYSFSA-N	401.310	5.402	30	20	HKED	
CCOc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(Cl)c1O	762576096	MAJZPWRKXAFZPI-LJQANCHMSA-N	406.869	5.352	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	779740122	FBIVRDBXNWBAOP-KUHUBIRLSA-N	418.324	5.060	30	20	HKED	
C=CCCN(Cc1nnc(-c2ccc(Br)s2)o1)OCc1ccccc1	782665681	ZXIRNNKWBLAOHR-UHFFFAOYSA-N	420.332	5.071	30	20	HKED	
CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccc(C)cc2C)s1)c1ccccc1	787042261	VOPUWROWRAIYSG-VQTJNVASSA-N	417.534	5.017	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1)c1ccccc1	788352939	WOSXYDXIWQLCHI-OXJNMPFZSA-N	418.880	5.441	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1	793510502	VXCFYISRWRBNLI-FQEVSTJZSA-N	411.461	5.106	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)cs1	797029730	JMZHBOUOYANGJF-LUAWRHEFSA-N	416.449	5.167	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(c3cccc(Cl)c3)CCOCC2)s1	797570294	FHAJLLBSVIXSLV-INIZCTEOSA-N	402.947	5.019	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c1	808869011	UKCDESBZVHLAAK-HOCLYGCPSA-N	421.419	5.019	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1nc(C#N)cs1	811690068	TWYSDAIABPVWOU-SREVYHEPSA-N	416.325	5.105	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1c[nH]c2ccc(Br)cc12	811697425	KPTPYGSZUZDCLF-DUXPYHPUSA-N	410.296	5.345	30	20	HKED	
COc1cc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(F)F	818238630	MIVONXKUHCWNTL-CKOAPEAFSA-N	401.365	5.035	30	20	HKED	
CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	904507659	DWJXCPAWXNRVJB-UHFFFAOYSA-N	418.403	5.400	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccccc1)c1ccccc1C#N	914515139	LFYWVLPOXOPSAA-AREMUKBSSA-N	421.500	5.056	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104171	MOCPENZUSSCCTI-AWEZNQCLSA-N	422.403	5.488	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915180346	NQYJHTBAFBNQAE-SANMLTNESA-N	420.516	5.326	30	20	HKED	
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNc1ccc(Cl)nn1	916287974	YBDLMCMQIOTYAY-UHFFFAOYSA-N	422.851	5.002	30	20	HKED	
Cc1cccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c12	916940195	VQWBJTFZTSRKNH-NSHDSACASA-N	421.280	5.617	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)c1nc2ccccc2o1	917509851	DCYCRVMLNQUODG-SFHVURJKSA-N	408.885	5.784	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ccc(Cl)cc3)n2)cc1	920142517	QFDYQVWOGPXNBI-IBGZPJMESA-N	405.910	5.534	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)c(C)s3)CCC2)cc1	1789456897	YRIHWKINPAUSOR-FQEVSTJZSA-N	423.582	5.276	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)/C=C/Sc3ccc(C)cc3)CCC2)cc1	1791588847	BRQDUIVEHXIVJV-SAPNQHFASA-N	406.551	5.311	30	20	HKED	
Cc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)cc1	7112264	RNJHFHSXZQBYDW-MRXNPFEDSA-N	407.930	5.432	30	20	HKED	
CCN(CCc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161943	DIYFBAWCHJJODR-UHFFFAOYSA-N	413.521	5.428	30	20	HKED	
C[C@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)c1ccc(C#N)cc1	60861714	MTAJETNBHPSSPX-AWEZNQCLSA-N	412.522	5.072	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1	61432350	MWCIQAMHYSZQQG-UHFFFAOYSA-N	418.503	5.066	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2c(C)cccc12	64715444	SKHUOMLVQROVMM-CQSZACIVSA-N	408.429	5.941	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C	302973270	BRLHZKKWJAEBAJ-UHFFFAOYSA-N	423.582	5.580	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303663660	HZBRPOPNYJEGRH-NWDGAFQWSA-N	419.287	5.152	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c1	430737532	IMPMAOYZOLVASQ-UHFFFAOYSA-N	403.438	5.502	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1OCCc2sccc21	432759389	RQWHWEXBWXUKJH-NYHFZMIOSA-N	419.506	5.236	30	20	HKED	
C[C@H](NC(=O)CN[C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	433027336	KFEMQHXMVBLGNL-YWZLYKJASA-N	404.341	5.195	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCc4ccc(F)cc4C3)cc2F)c1	434218768	BAFKRFFBILISSF-UHFFFAOYSA-N	419.431	5.006	30	20	HKED	
N#CC(CCSc1nnc(Cc2cccs2)o1)(c1ccccc1)c1ccccc1	434649075	SXSBBHSDMYRURF-UHFFFAOYSA-N	417.559	5.714	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3	434825994	KRRBXVDAEWDJLT-JKSUJKDBSA-N	418.566	5.143	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCC3(CCOCC3)CC2)cc1	438685604	MVMKISNMXKKQMY-UHFFFAOYSA-N	405.498	5.211	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cnccc3-c3cccc(F)c3)cc2)nc1	439681223	NVPJIBYJCBTJID-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(C#N)cc1	439941541	JZPVHFFCBYQZTM-UHFFFAOYSA-N	420.856	5.009	30	20	HKED	
CCCc1c(NC(=O)c2cc(-c3ccccc3)ns2)cnn1-c1cccc(C#N)c1	440067035	DSZKWSHRRMDJJQ-UHFFFAOYSA-N	413.506	5.072	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(F)c1Br	443520214	JXQGPGSPDGKVPU-UHFFFAOYSA-N	408.246	5.041	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2OC)cc1	443918194	REEYRYUEQCEWDJ-JOCHJYFZSA-N	421.884	5.140	30	20	HKED	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	445237537	HJXPWNAQFVCWPJ-UHFFFAOYSA-N	403.486	5.035	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)c1cccc(O)c1	460798818	XKJJOOCTRBRDGW-LEOXJPRUSA-N	418.541	5.002	30	20	HKED	
N#Cc1c(NC(=O)c2cnnc(-c3ccccc3)c2)sc2c1-c1ccccc1CC2	463466445	KUQMUMYJJCNOMM-UHFFFAOYSA-N	408.486	5.095	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	464226909	LABMJLZFRUUBNJ-MRXNPFEDSA-N	418.566	5.460	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cc(C(F)(F)F)ccn1	464415017	RALMIDGBUXYWGA-AWEZNQCLSA-N	422.815	5.988	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	464477135	RPCBNMLHRZHUAG-SFHVURJKSA-N	423.419	5.613	30	20	HKED	
CSc1cccc([C@H](NC(=O)NCc2cccc(C#N)c2)c2cc(F)ccc2F)c1	465519921	RQTJJJOMRUHMJY-QFIPXVFZSA-N	423.488	5.147	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	467406620	KRRKWSTXDIVJLK-INIZCTEOSA-N	412.415	5.074	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Br)c1	469285340	UOOUNNAXPPBKHY-HNNXBMFYSA-N	412.331	5.205	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3)Cc3ccccc3-4)ccc21	469949304	VIWUUWRNQDRELM-UHFFFAOYSA-N	421.500	5.093	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	470623600	IZSWXHXJNFOJIU-WBMJQRKESA-N	408.807	5.417	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	475581885	QRQVKCJBVQVWEY-OAQYLSRUSA-N	416.924	5.936	30	20	HKED	
C=C(C)[C@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)c(F)c1	475682283	PONFNXIIFTXMKK-FQEVSTJZSA-N	417.843	5.034	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	480828340	JNGTZUIMIZQZLM-LJQANCHMSA-N	421.378	5.364	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(Oc2ncccn2)cc1C)c1ccc(F)c(F)c1	480840297	OYNMLZNWDSRMBR-HXUWFJFHSA-N	410.424	5.294	30	20	HKED	
C[C@H](NCc1ccc(Cl)cc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1	480885350	PCCPQZPQVNBZGQ-INIZCTEOSA-N	421.903	5.383	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1	481922229	QJKJAEYQAQSRQD-UHFFFAOYSA-N	401.516	5.566	30	20	HKED	
Cc1ccc(C(C)C)c(OCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	487263950	QLIDXPZFAZAKHJ-UHFFFAOYSA-N	405.523	5.055	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccc(OC(F)F)cc2)o1	488102334	WHQOXEUJIWYXAO-UHFFFAOYSA-N	401.438	5.431	30	20	HKED	
CCC[C@@H](NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N)c1ccccc1	488760408	DZWLEEUQQOFBPW-CZUORRHYSA-N	407.461	5.110	30	20	HKED	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2sc3ccc(C#N)cc3c2C)c1	494157488	LPYOIIFFDUUPOH-UHFFFAOYSA-N	411.914	5.726	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)c1ccc(Br)cc1	499402928	BWQYJOXYBUMKAN-LZWOXQAQSA-N	424.125	5.240	30	20	HKED	
C=C[C@@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1)c1ccccc1	501833385	XLBSXFQVCYEEQJ-PGRDOPGGSA-N	419.500	5.679	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](COc3ccccc3)C2)cc1	504140778	CHMGVWLRJQSKMQ-SFHVURJKSA-N	416.452	5.031	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccccc2)cc1Cl	504907559	FXGSZZFMAREYSR-NRFANRHFSA-N	405.885	5.196	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(C(F)(F)F)c1	505972474	XGHDEGUWYWWQDJ-MRXNPFEDSA-N	405.763	5.008	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCCOc2ccccc21	506307436	NEXGZWTZRYSHCZ-HSZRJFAPSA-N	413.477	5.694	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1	506899897	CRCJKFDWMONNSD-UHFFFAOYSA-N	403.404	5.655	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(F)c(Cl)c2)cc1	507001498	JKTLYBUWUCZMQD-UHFFFAOYSA-N	410.901	5.573	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c1	507271973	XSHVTCPAVKUSDT-NRFANRHFSA-N	402.523	5.060	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccccc1)c1nc2ccccc2n1C(F)F	509561285	ZHRWQFFARCTXML-GOSISDBHSA-N	415.399	5.152	30	20	HKED	
C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(C#N)cc1	509614041	ALDMTYSISQIZEQ-OAHLLOKOSA-N	407.857	5.763	30	20	HKED	
CN(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	510010380	PNLPOTOWPWROAX-FPOVZHCZSA-N	422.916	5.013	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1	511720686	DNPARTCEIOBJOY-NRFANRHFSA-N	424.529	5.146	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(Cc4cccc(OCCCC#N)c4)CC3)c2c1	511986775	DNIQGCOJHYKTAR-UHFFFAOYSA-N	403.526	5.239	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cc(Cl)ccc3Cl)CC2)c(F)c1	513461820	QFALGWNPIMCLHD-UHFFFAOYSA-N	408.260	5.079	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nc2ccccc2s1	513692871	WBXTXDKUFLUKEA-MRXNPFEDSA-N	410.458	5.232	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)cc1	520198026	XUHJELZTOMNEKZ-ZDUSSCGKSA-N	404.333	5.165	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)c(C)c2)n1	521307154	ZENZXTABYTTXJN-HNNXBMFYSA-N	408.552	5.666	30	20	HKED	
CC1CCN([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2cccs2)CC1	521420221	QBMQXKZHIRCYDS-JOCHJYFZSA-N	424.614	5.013	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCCC(C)C	521729372	HMHXAGSEYMKGGW-QGZVFWFLSA-N	412.555	5.624	30	20	HKED	
CCOCc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	521812304	ODWHIKUVQIMCTG-UHFFFAOYSA-N	401.466	5.209	30	20	HKED	
C[C@H]1CCC[C@@](C#N)(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)C1	524194672	HHCDTTXRCMBBFX-OYHNWAKOSA-N	422.579	5.039	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	525503942	OGICXYLHZLYDFK-JTQLQIEISA-N	419.453	5.218	30	20	HKED	
COc1ccccc1[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccco1	533186761	SCRZEZJPKDSLTJ-MHZLTWQESA-N	424.500	5.618	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ncc(C4CC4)o3)n2)o1	536337800	QHPHMFZKLKAXCS-UHFFFAOYSA-N	405.401	5.698	30	20	HKED	
C=CCCOCCCCC(=O)N1CCC(C)(c2cccc(Br)c2)CC1	540516214	SDBDDLVTCOBCKV-UHFFFAOYSA-N	408.380	5.092	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)ccc1Cl	541353241	HGPWDZRCBXVESY-UHFFFAOYSA-N	406.869	5.156	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1cccc(CC#N)c1	543127761	SBPNLWIBAICYGP-UHFFFAOYSA-N	401.466	5.729	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1	549174227	SVNUXEMLTKMJFH-QGZVFWFLSA-N	404.539	5.167	30	20	HKED	
N#Cc1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)ccc1Cl	552765144	DHIZWPAKLULPMN-IBGZPJMESA-N	422.834	5.128	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	556957656	VADJXNQOTRQBIH-AWEZNQCLSA-N	406.713	5.264	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	562113769	IGMBVFWNCSRRRR-HOYKHHGWSA-N	424.504	5.426	30	20	HKED	
CC(C)(C)O[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1	564549965	PZEUXCNIAWGBLP-JOCHJYFZSA-N	401.466	5.240	30	20	HKED	
CCO[C@H](c1noc(/C=C/c2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F	569390899	ZMDYEYCPCDDGOA-VQFGERMISA-N	417.362	5.395	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)ccn1	570132908	CFJRYDYXKRVZSO-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H](c4c(F)cccc4F)C3)cc2)ccn1	577151806	RRBVWBVFAZEKHG-HNNXBMFYSA-N	420.419	5.045	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C	583896404	XDHOIXHWAJPGDY-UHFFFAOYSA-N	410.905	5.063	30	20	HKED	
N#CCCN(C(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1cccc(Cl)c1	590925946	OEADBPWCMDUMGZ-LJQANCHMSA-N	424.957	5.033	30	20	HKED	
CSCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)oc2ccccc12	602227518	PFPHDYFPWQAGMM-UHFFFAOYSA-N	419.531	5.467	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1ccc(F)cc1F	609427858	XOSQUIRUUVAHSR-ZDUSSCGKSA-N	412.465	5.106	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1c(Cl)cccc1Cl	609434689	JCDJRGXWMGVZFS-CYBMUJFWSA-N	408.354	5.752	30	20	HKED	
CC(C)CN(Cc1ccccc1F)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609499391	OLUKUEMQJZSCQT-UHFFFAOYSA-N	403.457	5.183	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F	609696666	JEQRHCCWIQUHFR-APWZRJJASA-N	406.457	5.274	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc3ccsc3s2)cc1C	609796951	ZBABAIDSNCMUQB-UHFFFAOYSA-N	407.524	5.004	30	20	HKED	
CSCC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	609928344	ZOVLMHWUDWYZCI-CQSZACIVSA-N	403.935	5.609	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1C	610053630	FBKLNUKLLUTGCO-UHFFFAOYSA-N	400.413	5.012	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	610290626	MRWFHHCQRKZADO-UHFFFAOYSA-N	404.495	5.420	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OC(C)C	613402846	JFDLWAGMUNLSCF-AWEZNQCLSA-N	400.887	5.236	30	20	HKED	
C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F	674444190	GIHJAAIVSBQPTQ-OASPWFOLSA-N	421.303	5.398	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	679881547	NZVUYYQYWMJBTC-KRWDZBQOSA-N	421.378	5.707	30	20	HKED	
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=Nn2cnnc2-c2ccccc2)cc1	725856474	SJGYMMBBJITMQF-UHFFFAOYSA-N	422.467	5.128	30	20	HKED	
N#Cc1cccc(COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1	727898383	ZMWTXXBWZZIGEM-UHFFFAOYSA-N	413.408	5.135	30	20	HKED	
COC(=O)Nc1cccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	728465071	LCBLLKFIZHDTPK-UHFFFAOYSA-N	417.440	5.031	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=S)Nc3ccc(OC(F)F)cc3)c2)cc1	729160554	VVJSGZNRBQZYIM-UHFFFAOYSA-N	411.433	5.761	30	20	HKED	
N#Cc1ccc(COC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c(F)c1	730606504	GHXHXNXHUYOCSV-UHFFFAOYSA-N	408.376	5.002	30	20	HKED	
N#C[C@@H](C(=O)CC1CCC(c2ccccc2)CC1)c1nc2ccccc2n1C(F)F	731136050	LWVQWEGKGHWJGF-KVZIAJEVSA-N	407.464	5.972	30	20	HKED	
Cc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)ccc1Oc1cccnc1	732713477	AETNPIRPZRCZOM-VQHVLOKHSA-N	400.434	5.035	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2cccs2)c1	733773081	OCIUGOZYUXSFFB-SFHVURJKSA-N	422.575	5.651	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)s2)cc1	733921966	ZZVVWPHGNONUKZ-GOSISDBHSA-N	411.324	5.347	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc2ccccc2s1	734205032	AXZGUKOZBKHNLJ-OXQOHEQNSA-N	412.518	5.834	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)s1	736432836	GMILPDMJUZYVKR-ALCCZGGFSA-N	403.397	5.540	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)cs1	741845189	YMEYROAWHNEWQW-RMKNXTFCSA-N	414.474	5.066	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)c1ccc(Br)s1	744357267	IDAJYOHTTIVSGD-VIFPVBQESA-N	414.708	5.143	30	20	HKED	
Cc1sc2ncn(N=Cc3cccc(OCc4ccccc4Cl)c3)c(=O)c2c1C	744739018	ZXCFCALFFBUMFY-UHFFFAOYSA-N	423.925	5.189	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1	747109356	PTMOVPIYMSOCHA-GUYCJALGSA-N	411.288	5.598	30	20	HKED	
N#CCC[C@H](/N=C\c1cc(Br)cc(Br)c1O)c1ccccc1	747690973	RRIRNQLBLUQALW-SJJOQSKNSA-N	422.120	5.381	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)/C=C\c3ccc(-c4ccccc4Cl)s3)nc12	750722232	BHBIXOLZDLYMRG-IOBAAEILSA-N	418.909	5.538	30	20	HKED	
COc1ccc(CNc2cnc(Cl)c(Br)c2C)cc1OCCCC#N	759102218	CUZCLWHCGWISNT-UHFFFAOYSA-N	424.726	5.109	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1Br)c1cccc(Cl)c1Cl	760558776	DEPKJXZNNLYYLL-CYBMUJFWSA-N	418.505	5.404	30	20	HKED	
C=C(C)Cn1c(SCc2cc3ccccc3nc2Cl)nnc1-c1ccncc1	768415650	QLDJREOMMKCSOI-UHFFFAOYSA-N	407.930	5.410	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCc2c(Cl)cccc21	776077870	RPDGOODTWOXREA-CVEARBPZSA-N	420.868	5.032	30	20	HKED	
N#CCOc1cccc(NCc2cnc(-c3ccc(Br)cc3)s2)c1	779585816	ITOREHUPNSQNGK-UHFFFAOYSA-N	400.301	5.087	30	20	HKED	
COc1ccc(SCCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	781451619	NVQBZXNKQBOCGH-MRXNPFEDSA-N	415.465	5.189	30	20	HKED	
CCO[C@H](C)c1nc(CON=C(C)c2ccc(Br)cc2F)cs1	795246897	VTJVVJDWHKUQEZ-LLVKDONJSA-N	401.301	5.083	30	20	HKED	
CC(C)(C(=O)OCC1(CC#N)CC1)c1csc(-c2c(Cl)cccc2Cl)n1	797073668	CFCZTXRJLFXRBS-UHFFFAOYSA-N	409.338	5.632	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)s1	797572114	YWRZSTLGKFZSCM-CABCVRRESA-N	424.595	5.143	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1cccc(OCC#N)c1	797832079	LVHYWOWPQNEREC-UHFFFAOYSA-N	402.237	5.112	30	20	HKED	
CC(=C/c1ccccc1C(F)(F)F)/C=C/C(=O)c1cccc(N2CCOC2=O)c1	799893582	SOWXNJCZUXRIIW-OFPSORBISA-N	401.384	5.504	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1	813215757	BNCNORANRDIFPT-XHDPSFHLSA-N	411.221	5.233	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SC(F)F)cc2)cc1	916914290	KDMAKOZJVUOJTM-GOSISDBHSA-N	402.466	5.305	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(s1)CCCCC2	916927428	JJPDWIJDRAFRGZ-CYBMUJFWSA-N	407.322	5.285	30	20	HKED	
O=C1COc2ccc(C(=O)/C=C\c3ccc(-c4ccc(C(F)(F)F)cc4)o3)cc2N1	920065690	GJCXDQSZTCREQR-VURMDHGXSA-N	413.351	5.192	30	20	HKED	
C=C(Br)CNC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	921166552	ZDCUJTCZJSZKFA-UHFFFAOYSA-N	420.303	5.503	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C34CC(C(F)(F)F)(C3)C4)cc2)CCC1	1786461601	QIAPOARIPCZMLI-VUZGARFFSA-N	420.475	5.065	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1	1787420528	MUFKNAWYHOGSNW-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCCC3(F)F)cc2)CCC1	1789166828	RNTPCDQIGHONIA-ZHRRBRCNSA-N	422.491	5.250	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2	1798335249	BVPAYAIXFZBIFT-XMTFNYHQSA-N	421.368	5.014	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CC)c3ccccc3)C2)CC1	1809013853	YBEMJJMULRGFPO-DNQXCXABSA-N	422.613	5.180	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1	6071439	QZABMZWKFHSCAS-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S1	7165064	XBMBWHVXVLZAEB-PXLXIMEGSA-N	414.530	5.774	30	20	HKED	
C[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccccc1C#N	8760713	PCCDTUBVXIHPGM-HNNXBMFYSA-N	423.501	5.027	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3ccc(CC#N)cc3)cc12	16495788	WEPNHSYKHUIMDI-UHFFFAOYSA-N	406.898	5.367	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1cc(C)cc(C)c1	22730246	BXTLIPLTPUFQLC-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	41558077	RGNYCHAGDKDXRH-AWEZNQCLSA-N	408.433	5.353	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2coc(-c3cccc(Cl)c3)n2)n1	43751178	JGTRQBYXHWAUSU-UHFFFAOYSA-N	409.820	5.881	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	47565620	ZXNYBMXQFGTGQL-QFIPXVFZSA-N	414.896	5.531	30	20	HKED	
CCN(CC)c1ccc(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2CC)cc1	60724824	GPBDHYCOONFROG-QFIPXVFZSA-N	419.598	5.347	30	20	HKED	
C[C@@H](CC(=O)NCCSCc1ccccc1C#N)c1ccc(C(F)(F)F)cc1	195646868	JRMMKRGVQSQKCL-HNNXBMFYSA-N	406.473	5.120	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)nc2ccccc21	303256741	ADONARTWSXHFCE-SBUREZEXSA-N	415.493	5.422	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1	303411190	AEKPBDQGFRRFOG-UHFFFAOYSA-N	424.334	5.262	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	426161176	MUIOGKNZUAIQHF-IBGZPJMESA-N	414.505	5.473	30	20	HKED	
CCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1-c1ccccc1	427449498	HSAQYDSGBCBQNV-UHFFFAOYSA-N	422.488	5.273	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1	429925966	PLAJOSJTJXWVDT-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
C=CCC[C@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1	435275485	SFOGYEBRZSHWJH-DEOSSOPVSA-N	404.510	5.237	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCC(C(F)(F)F)CC1	435610631	LGEPUKRACZMFQK-UHFFFAOYSA-N	418.434	5.908	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)c1ccccc1	435659069	FSKGLUYFTMBPSY-OAQYLSRUSA-N	421.472	5.808	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	437862858	FXHKJMFBTORPMJ-SCLBCKFNSA-N	421.394	5.253	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(OC2CCCC2)c(F)c1	438047511	CUSNJKYKEQSRTC-OAHLLOKOSA-N	413.518	6.185	30	20	HKED	
Cc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)C(C)(C)C	438147791	DHSBOHHLEHEUIC-IRLDBZIGSA-N	418.541	5.283	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C	439663077	RKOPUDVEMOEMIN-KRWDZBQOSA-N	403.457	5.546	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H]1c1cccnc1)c1ccc(C(F)(F)F)cc1	441538998	XOSZUJAFSWVHTO-UXHICEINSA-N	403.448	5.654	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3c(C(=O)c4ccco4)oc4ccccc34)on2)c1	448100320	AYAOXQZVIARSRC-UHFFFAOYSA-N	423.384	5.036	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	460418045	HFXRIQBILCRBLC-NRFANRHFSA-N	402.494	5.132	30	20	HKED	
C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1csc(C)n1	460547685	NFZUBXZZDCSQEK-OAQYLSRUSA-N	423.586	5.156	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	463588052	KKNHXADCSWTVSQ-IRXDYDNUSA-N	423.394	5.214	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464415891	CERDMLCEBBKUGZ-AWEZNQCLSA-N	405.376	5.162	30	20	HKED	
CCSCC[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	467032684	ILSHYABPQLUZMS-DNVCBOLYSA-N	401.963	5.649	30	20	HKED	
C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)c1nc(C(F)(F)F)cs1	467739443	FYXNKGNVYDRTKM-SECBINFHSA-N	416.362	5.752	30	20	HKED	
Cc1c(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2ccc(F)cc12	471132069	GLFUGZTVCAFAEW-LBPRGKRZSA-N	404.488	5.075	30	20	HKED	
COc1cc([C@@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)ccc1OC1CCCC1	474908780	OPNGMRVGRYKWBS-NQIIRXRSSA-N	406.526	5.281	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1	475556142	OLIKRBZLQVCYTH-UHFFFAOYSA-N	423.944	6.477	30	20	HKED	
Cc1coc(-c2cc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc2C)n1	479284120	NUGYOWFFQAFHOQ-VXKWHMMOSA-N	400.482	5.262	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C	480167468	SYLDRPHCCXTHAH-OAHLLOKOSA-N	406.461	5.005	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H](c2ccco2)C1	480207749	FQUHUHPFQVKIEL-BBRMVZONSA-N	407.392	5.097	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC	481098419	AKHGIJGEDZAOCL-UHFFFAOYSA-N	417.962	5.311	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)c2)cc1	481941858	FGTAELSPKWPNDP-JOCHJYFZSA-N	418.518	5.233	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C2CC2)cc1	482154228	FVMUOHJRKDTLOJ-GOSISDBHSA-N	407.823	5.189	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1ccccc1Br	482506601	IXYGSFXUNOOEKI-CTNGQTDRSA-N	411.343	5.070	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@H](C#N)c1nccc2ccccc12	483210920	ZNFYUZHUHGBWGN-HXUWFJFHSA-N	414.896	5.240	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1Cl	484164881	SLGXOCARKYASMU-KRWDZBQOSA-N	419.699	5.136	30	20	HKED	
CC(C)(C#N)c1ccccc1CSCc1nc(-c2cc(F)c(F)c(F)c2)no1	486719358	BBSXKOUURVPENT-UHFFFAOYSA-N	403.429	5.388	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccccc1	487287627	PRBFJYWQFIFMCG-LJQANCHMSA-N	413.308	5.344	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](C)c1cccc2ccccc12	487361614	RWYUBLAIDNAMAG-ROUUACIJSA-N	403.551	5.523	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1	489755952	DIJYULOIGAFSKC-UHFFFAOYSA-N	409.511	5.156	30	20	HKED	
N#CCc1ccc(NC(=O)c2oc3ccccc3c2CSc2cccs2)cc1	495501056	FUKHRTZFPLLMLD-UHFFFAOYSA-N	404.516	6.105	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	499335641	HKVMHOMFNRCEPF-UHFFFAOYSA-N	417.321	5.068	30	20	HKED	
CC1(C#N)CCN(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1	507829155	KREHJAOUTCPOQD-UHFFFAOYSA-N	419.956	5.428	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1Cc2ccccc2C1	510641364	QLJKRBMWOUAHGH-HSZRJFAPSA-N	415.924	5.627	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1F	510756634	YJWXTIBANZQKQD-UHFFFAOYSA-N	405.429	5.128	30	20	HKED	
C=CCc1cc(CNC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC	514177016	ZUXCKWJCGCMBTI-CQSZACIVSA-N	422.447	5.012	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)cc2)nc1	514959464	VSCOWRICOGZEIY-WXFUMESZSA-N	409.489	5.154	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)n1	515050828	KXYUZOVRSZFRIJ-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)CCc3ccccc3Br)n2)cc1	515600183	SOYXXAMZFZMFIC-UHFFFAOYSA-N	412.312	5.016	30	20	HKED	
Cc1noc(CSc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)n1	518137978	ZNHDJGKUFDDNIN-CQSZACIVSA-N	424.551	5.174	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cnn(C(C)C)c2n1	518239798	MIROQJFGEBTQKP-INIZCTEOSA-N	421.570	5.782	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(Cc2ccc(F)cc2)n1	518660952	MANVWXUNSJHGDF-AWEZNQCLSA-N	411.527	5.377	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2s1	520384732	NWFLZNGMPPALJR-NSHDSACASA-N	424.473	5.108	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc3ccccc3c2)cc1OC	520978934	SYMAFMOKDWOEPV-UHFFFAOYSA-N	412.327	5.466	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1csc(Br)c1	521812159	IAVLDCQFAKPXBF-NSHDSACASA-N	410.362	5.227	30	20	HKED	
COc1cc(C[S@](=O)[C@H](C)c2ccccc2F)ccc1OCc1cccc(C#N)c1	522662356	MWTMZNYCGBGHHG-ZQHDKMAOSA-N	423.509	5.295	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1	523784686	CPLZEDCXXYPKIM-QUCCMNQESA-N	408.571	5.214	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1	524992551	KYBABVUAVKHSBZ-UHFFFAOYSA-N	412.505	5.160	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)sc2c1CCCC2	525429481	BNFAVFGMFPYEIY-ZIAGYGMSSA-N	406.429	5.139	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccccc1F	525431588	QNOXDYSGLIOUAL-HNNXBMFYSA-N	406.486	5.779	30	20	HKED	
N#CCCCOc1cccc(CNCc2ccc(Oc3ccccc3F)c(F)c2)c1	525708204	SVBYNPHUWIINGY-UHFFFAOYSA-N	408.448	5.729	30	20	HKED	
N#CCc1ccnc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1	532181194	ONJSNZTYHIHVEL-UHFFFAOYSA-N	413.502	5.580	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1nc2ccccc2o1	534468613	QFSFWVCPLNWJKP-GFCCVEGCSA-N	409.161	5.099	30	20	HKED	
COc1cccc([C@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1	537030035	WZXKNCBSAJBLNZ-SFHVURJKSA-N	402.494	5.005	30	20	HKED	
CC(=O)c1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	537442581	UDODZOKNXIYQTB-OAHLLOKOSA-N	407.285	5.081	30	20	HKED	
C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	537696975	IVKRTAHERJAMKM-JKSUJKDBSA-N	401.441	5.033	30	20	HKED	
CCN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(C#N)c(Cl)c1	538072000	OSWPROTYMIZXRY-UHFFFAOYSA-N	400.265	5.116	30	20	HKED	
Cc1cc([C@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)ccc1F	538324566	XLCVJZSGVPDYLT-WAIKUNEKSA-N	411.546	5.208	30	20	HKED	
N#C[C@@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc2ccccc2n1C(F)F	538483990	LKIAURNIGCNBOP-LBPRGKRZSA-N	412.783	5.230	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(C2CCCCC2)no1	538659465	AAEPRFBWAOQXFT-MRXNPFEDSA-N	416.481	5.272	30	20	HKED	
C[C@H](NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(C#N)c(F)c1	540708008	PCDCBZBVMSCCMC-IBGZPJMESA-N	410.496	5.460	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(Cl)c1Cl	541635146	YYSYYRTXMVWSQG-SECBINFHSA-N	414.086	5.034	30	20	HKED	
C[C@@H](NC(=O)c1cnc(-c2ccncc2)s1)c1ccc(-c2cccc(C#N)c2)cc1	542000480	KQXVEOGMWWMDSS-MRXNPFEDSA-N	410.502	5.235	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3cccnc3N3CCCCC3)no2)c2ccccc21	545621882	LUSLHHBFKFZWIC-VAWYXSNFSA-N	424.508	5.161	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CC)CC(F)(F)F	546909545	WKAHARBPXQEHOX-ZDUSSCGKSA-N	411.237	5.017	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1	549307470	VWUACQNZIIVSTN-NWLLBJEDSA-N	418.537	5.007	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1SCc1cscn1	553885745	DNNQLIHOTBYHTJ-UHFFFAOYSA-N	421.012	5.979	30	20	HKED	
CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCC(F)(F)CC1	554172275	LUUDTIIZUUPJLJ-UHFFFAOYSA-N	413.468	5.373	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	567068580	ZMFBIZVVERLWRJ-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
C=CCNC(=O)c1cccc(-c2noc(-c3sc(-c4ccccc4C)nc3C)n2)c1	568813172	QPTYAMCMSNTDBZ-UHFFFAOYSA-N	416.506	5.060	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)CC2	569514065	VEPNWHOIAFLHEG-FCHUYYIVSA-N	400.444	5.322	30	20	HKED	
C[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	576448301	OZFGJWYUJWQMPW-ZETCQYMHSA-N	422.316	6.050	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(F)c(Br)c2)cc1OCCCC#N	590193612	MNRSKQPSXYYAMV-CQSZACIVSA-N	421.310	5.130	30	20	HKED	
N#CCCC[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1	590477835	CRZTUMTXXLGYLP-PMACEKPBSA-N	418.566	5.064	30	20	HKED	
C[C@H](SCc1ccc(Br)cc1)C(=O)N(CCC#N)c1ccc(F)cc1	603452443	HHIRROUHBIAPMD-AWEZNQCLSA-N	421.335	5.157	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)sc1Cl	609061953	MLSUEKZIBRBMLI-UHFFFAOYSA-N	417.317	6.066	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(Cl)c1	609371116	CBHGGCJNKYGHRB-LJQANCHMSA-N	411.288	5.910	30	20	HKED	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2SCCC#N)CC1=O	609378783	RZJASNNQYCLPHD-ROUUACIJSA-N	421.566	5.197	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](CC)c1ccccc1	609403905	JUJDHYXPGGAEQF-GHTZIAJQSA-N	423.582	5.267	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(Oc4nccs4)c3)c2)cc1	609907273	DJUCFTJIYCTKQC-UHFFFAOYSA-N	413.458	5.852	30	20	HKED	
CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	610082983	XJDDDGANBYUUOM-GFCCVEGCSA-N	416.852	5.002	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCSc4ccccc43)c2)cc1	610224571	PTGVYMMTTDHUSF-HSZRJFAPSA-N	414.530	5.550	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCSc3ccccc32)cc1	610224903	GTFONBWRJACMJR-JOCHJYFZSA-N	414.530	5.550	30	20	HKED	
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cccc(C#N)c1	610684446	AXNAREJBLAXHFD-SNVBAGLBSA-N	414.239	5.027	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)cn2)cc1	611376580	SCNZCSAYJNLVKG-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1sc2cccc(Cl)c2c1Cl	612209035	PCHMHACNGZXNHN-UHFFFAOYSA-N	421.305	5.357	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)nc1)c1nc(-c2ccc(Cl)cc2)cs1	613319689	JJYLNIPCPOYVCH-ZDUSSCGKSA-N	407.804	5.367	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1	618735754	OLDNDQJFZLLDEC-FQEVSTJZSA-N	409.917	5.004	30	20	HKED	
N#CC[C@H](CC(=O)N1CCc2cc(Br)c(Cl)cc21)c1ccccc1	619445491	PHHUEOBTFKTFOQ-CQSZACIVSA-N	403.707	5.079	30	20	HKED	
C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC(F)F)cc1OC(F)F	619755237	DKKOJHKILGZCAT-JTQLQIEISA-N	402.775	5.265	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)cc2cccnc12	678066665	LOOLJSDZWZHCOT-PJXYFTJBSA-N	408.317	5.013	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccc(Cl)cc1	681173519	DSRDRGSJFLCZTN-SFHVURJKSA-N	400.869	5.126	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1Cl	726451553	KSQHXELDIADFQU-UHFFFAOYSA-N	403.898	5.335	30	20	HKED	
CCN(Cc1ccccc1Br)C(=S)Nc1ccc(C#N)c(Cl)c1	726484041	BAEPKRIXPSIFBF-UHFFFAOYSA-N	408.752	5.193	30	20	HKED	
CC(=O)Nc1ccc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1	728438808	PCLYJOXPUDATJR-VBKFSLOCSA-N	408.910	5.634	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1OC	729430417	WFOWMBNXUDOCSB-ZDUSSCGKSA-N	421.305	5.220	30	20	HKED	
N#CCOc1cccc(NC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)c1	729947168	MNOOEEPHSKWHKJ-OAQYLSRUSA-N	408.910	5.714	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)O[C@H](C)c1nc(-c2ccccc2)cs1	730085211	KECXNDFBBMZKIZ-MRXNPFEDSA-N	422.506	5.154	30	20	HKED	
CC(C)(C)n1cc(C(=O)Nc2cccc(OCC#N)c2)c(-c2ccccc2Cl)n1	730965222	PLZNYUFTDNZUBR-UHFFFAOYSA-N	408.889	5.113	30	20	HKED	
Cc1ccc(Oc2ccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)nc1	733323713	NVWKIJQHHXRUAP-OAHLLOKOSA-N	418.522	5.043	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC	733615612	INLBGVNUSOEZPB-INIZCTEOSA-N	408.285	5.005	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1	733773157	RUKPPIIZJVGRBC-ZJSXRUAMSA-N	416.546	5.517	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(-c3cccc(F)c3C)o2)S1	734305591	DCNXRXCGSOYMIB-UDWIEESQSA-N	406.482	5.903	30	20	HKED	
C#Cc1cccc(N(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C(C)C)c1	734393778	WYBCHTJUJMJYGZ-UHFFFAOYSA-N	413.443	5.673	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1)c1ccncc1	734666592	FFRRNGFNRGTTDS-PMACEKPBSA-N	405.464	5.804	30	20	HKED	
N#Cc1ccc(CN(C(=S)Nc2ccc(OC(F)F)c(Cl)c2)C2CC2)cc1	735623909	SCGSHQFLMNXSEM-UHFFFAOYSA-N	407.873	5.174	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(SC)cc2)cc1	741111469	PDYVJUWXHICQOC-MRUHUIDDSA-N	410.539	5.037	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc12	742538242	VUOJUZYLUWLYJC-HXUWFJFHSA-N	414.534	5.666	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	742954316	KLTQLDHMIHBBHT-JXMROGBWSA-N	413.424	5.030	30	20	HKED	
CCOc1cccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	742990305	FXYPHRCLOQHDRY-UHFFFAOYSA-N	419.525	5.808	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	744025336	KAXVYFZWJVTWII-BBWFWOEESA-N	407.684	5.098	30	20	HKED	
COc1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	745724412	QJOHPDYSDICRPU-UHFFFAOYSA-N	405.498	5.418	30	20	HKED	
C[C@H](Oc1cccc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)c1)C(=O)O	746682890	FDVVGOCMAZUWJE-UQTJOTSZSA-N	412.388	5.189	30	20	HKED	
CCSc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	752481560	CHFCOSDKRKZFNH-LJQANCHMSA-N	408.548	5.350	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2cccc(F)c2)cc1	752485379	NIDRIXRIBRCNCH-QHCPKHFHSA-N	402.473	5.105	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C(C)=C\c3ccc(OC)c(F)c3)n2)cc1	755633397	AMAWJVDFHPLUJW-BLSFAOBESA-N	422.481	5.246	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(OCc4cccc(F)c4)c(F)c3)o2)cc1	760454079	DKLPQGUHBIHSDE-UHFFFAOYSA-N	418.403	5.078	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1	769275169	OPSZNKNFVCUXQZ-UHFFFAOYSA-N	409.445	5.092	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)ccc1OC	772978831	HOVLQSDKLOMWEK-FYYLOGMGSA-N	420.553	5.258	30	20	HKED	
CC(C)(C)Sc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccn1	779193655	HMHBWWMLFCIYQZ-ZDUSSCGKSA-N	400.454	5.207	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)s2)o1	781770187	YPDBZXDVAPZXKA-LBPRGKRZSA-N	402.834	5.070	30	20	HKED	
Cc1nnc(-c2ccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)o1	782581450	KWNFNIZMWWJXGE-INIZCTEOSA-N	423.476	5.466	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(N)cc4Cl)c23)cc1	782901346	OXNHTVISZDDBBX-UHFFFAOYSA-N	423.929	5.439	30	20	HKED	
C[C@@H](C=Nn1cnnc1SCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	788980051	DDSBYMUMSIZPGH-ZDUSSCGKSA-N	424.879	5.880	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1NC(=O)c1ccsc1	790160181	NBWTWABGVNVDNF-UHFFFAOYSA-N	416.955	5.544	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12	791127669	JVCQBFFUTRZTDM-UHFFFAOYSA-N	408.461	5.208	30	20	HKED	
N#C[C@@H](C(=O)C12CC(c3ccccc3)(C1)C2)c1nc(-c2ccc(Cl)cc2)cs1	791772638	DWBASGRPDOOZJR-NWLLBJEDSA-N	404.922	5.762	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2cnc3ccccc3n2)n1	792106001	ZORVZLMIGLBVOE-QGZVFWFLSA-N	416.531	5.177	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2C1	793479392	HCEZOZHLGKNEIT-HXUWFJFHSA-N	419.525	5.006	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\Sc1cc(F)ccc1F	797943527	SDSUQZXBFYTDLL-MQNTZWLQSA-N	414.477	5.043	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)c1	808869009	UKCDESBZVHLAAK-GDBMZVCRSA-N	421.419	5.019	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](C)c2ccc(F)c(Br)c2)n1	813073046	RJQYKFCEMAIPSX-WCQYABFASA-N	409.324	5.538	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)ccn1	813218729	SIIJUTXZNIDYHA-ZDUSSCGKSA-N	401.215	5.606	30	20	HKED	
N#Cc1cc(C(=O)OCc2nc3ccccc3c3ccccc23)cnc1C(F)(F)F	815477904	ALRLRYKCSUNCPE-UHFFFAOYSA-N	407.351	5.030	30	20	HKED	
COc1ccc(-c2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)c(F)c2)cc1	817319356	NFLZLJWGSSAEQZ-XMMPIXPASA-N	402.469	5.666	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc(Cl)sc2Cl)cc1Cl	821672119	YWIBUNXNRODXPM-ZDUSSCGKSA-N	422.724	6.011	30	20	HKED	
Sc1nnc(-c2ccco2)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	916318203	DWLIDRWBRFZZBJ-UHFFFAOYSA-N	405.266	5.276	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	916628020	IBSLQAZEWKEQEK-LJQANCHMSA-N	410.926	5.807	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1sc2ccccc2c1Cl	916936433	KNIBURJPEQEDAB-LLVKDONJSA-N	407.253	5.308	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COc1ccc(Cl)c2ccccc12	920105659	JYQRDFPSCBUVKZ-SFHVURJKSA-N	416.864	5.254	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc4ccccc34)n2)cc1	920143881	UFCJFNHIBHTNDR-GOSISDBHSA-N	404.516	5.452	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1	920267723	IYUAZEBQAWQKBE-VQIMIIECSA-N	405.523	5.281	30	20	HKED	
N#Cc1ccc(CN(CCc2ccc(Cl)cc2)c2ccc3nc(O)[nH]c3c2)cc1	1642112997	IRYXHEWURZHPKL-UHFFFAOYSA-N	402.885	5.043	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)CCC1	1787380663	TYJVVEPWMNMASY-UHFFFAOYSA-N	423.944	5.251	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1	1789371124	MKNAILHFSOAVEV-UHFFFAOYSA-N	419.550	5.171	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4sc(C)cc4[nH]3)cc2)CCC1	1790881475	ZXWCFTCOASLNAW-UHFFFAOYSA-N	419.550	5.089	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1-c1ccccc1OC	6076800	JYXDXCUPLVLQQR-SFHVURJKSA-N	421.566	5.428	30	20	HKED	
Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2ccc(F)cc12	20676106	KDNKSEBFJWOOSR-UHFFFAOYSA-N	424.482	5.148	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)n2)cc1	41513860	CRUKPDUKWYZXDN-XJKSGUPXSA-N	419.531	5.041	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1C1CC1	53423874	NSTJUNGEQDUITD-MRXNPFEDSA-N	404.539	5.447	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1	56300126	KGVJMBHDVAABCE-UHFFFAOYSA-N	400.931	5.128	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	72066933	LVGIHKWYTHITOJ-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2ccc(-c3nc4ccccc4s3)o2)cc1	237214048	QYHFKHAVNFSMBD-UHFFFAOYSA-N	402.523	5.196	30	20	HKED	
C[C@H](Nc1nc(N[C@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])s1)c1ccc(C#N)cc1	301306290	YQWQNBPMAHICQY-KGLIPLIRSA-N	418.482	5.141	30	20	HKED	
N#Cc1cc(Nc2cccc(COCc3ccco3)c2)nc2ccc([N+](=O)[O-])cc12	302669605	NMMCXGIZZGDIKX-UHFFFAOYSA-N	400.394	5.068	30	20	HKED	
Cc1c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)sc2ccc(C#N)cc12	427993017	NKRGHOPFWQESNX-UHFFFAOYSA-N	423.969	5.129	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c(OCCC)c1	429112268	GPVHJMCXDZVCES-KRWDZBQOSA-N	406.404	5.168	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c(Cl)c1	431585603	ZYIUIMLTAQYQJT-UHFFFAOYSA-N	404.882	5.059	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl	432586933	GWSZBLBISNOLSU-SFHVURJKSA-N	407.341	5.700	30	20	HKED	
CC(C)N(CC(=O)Nc1ccccc1SCC#N)Cc1cccc(C(F)(F)F)c1	434898265	BYOGUYNAQIEOCL-UHFFFAOYSA-N	421.488	5.170	30	20	HKED	
C[C@H](c1ccc2ccccc2c1)N(CC(=O)Nc1ccccc1SCC#N)C1CC1	436223641	XTBPIKPPOGVCBO-GOSISDBHSA-N	415.562	5.620	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1Oc1cccnc1	438234392	KZTCFZJGGFVNAR-XZOQPEGZSA-N	412.493	5.486	30	20	HKED	
C=CCc1cc(C)cc(OC)c1OCc1nnc(-c2ccccc2Br)o1	438299104	NMSPWILJPWEUNT-UHFFFAOYSA-N	415.287	5.124	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	438454574	APRFKUWNQSJDCT-FYYLOGMGSA-N	407.583	5.940	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438665529	MLPBCAUIDILVLU-UHFFFAOYSA-N	418.472	5.371	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(-c2ccccc2Cl)o1	439095801	DTDVLCKLFQHBBZ-UHFFFAOYSA-N	418.787	5.378	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)cc1	439663279	BWPQJVDMKJHAMR-UHFFFAOYSA-N	420.900	5.491	30	20	HKED	
COc1ccc2occ(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2c1	440755483	TVCHZZMMYZDXJV-UHFFFAOYSA-N	412.445	5.339	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl	447317944	HHMLZFYPVMSDSQ-ZIAGYGMSSA-N	422.381	5.677	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3CCC(F)(F)F)cc2)cc1	465150286	WNFWJGXDNBIGCS-UHFFFAOYSA-N	424.422	6.292	30	20	HKED	
C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](c2ccco2)C1	465882281	WJTCQECAXQUKJM-WYNBGMTASA-N	407.514	5.024	30	20	HKED	
Cc1cnc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)s1	466115911	KWOWPUCGXUJMTD-OAQYLSRUSA-N	418.522	5.697	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1Cl	466446832	TXTNXYFZDZZOLO-SFHVURJKSA-N	409.804	5.295	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)coc12	473512875	JDLWRJVOJUFVLL-ZDUSSCGKSA-N	403.301	5.574	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	474437162	GFFYGOWQZCMRNW-KRWDZBQOSA-N	421.909	6.074	30	20	HKED	
C=C(C)[C@@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)c(F)c1	475682284	PONFNXIIFTXMKK-HXUWFJFHSA-N	417.843	5.034	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1	476064209	SQQYPLLHUUGARY-DENIHFKCSA-N	418.928	5.481	30	20	HKED	
COCC1(C#N)CCN(C(=O)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)CC1	476926295	CEJZGHJLFIHINT-QHCPKHFHSA-N	411.590	5.393	30	20	HKED	
CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CCC2	478714977	PUNGFHSRIQJWIV-HNNXBMFYSA-N	408.449	5.137	30	20	HKED	
CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CCO1	479681881	FOPVVZOHCRHLLQ-CTNGQTDRSA-N	408.567	5.423	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cc(-c2nc(CC)no2)ccc1C)c1ccc(F)c(F)c1	481026381	OIUUMGQDPYYDSE-FQEVSTJZSA-N	412.440	5.325	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1C	481367366	CXKXJICBZOIZAG-GOSISDBHSA-N	420.582	5.682	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(C)(C)C#N)cc3)o2)cc1	482566156	ZQPCFDSJZNVVTG-UHFFFAOYSA-N	421.500	6.371	30	20	HKED	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	482934613	VRZTVFISDAWDRJ-REWPJTCUSA-N	421.541	5.047	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2s1	484684467	YKYMWQQJNFCDNC-UHFFFAOYSA-N	423.881	5.554	30	20	HKED	
Cc1csc(Nc2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2)n1	486275090	NLJJMIGCALNQPX-QGZVFWFLSA-N	416.428	5.209	30	20	HKED	
CCOc1ccc(Oc2ccc(NC(=O)N(CCC#N)Cc3ccco3)cc2)cc1	494195968	SWASWQYRWQPZOT-UHFFFAOYSA-N	405.454	5.418	30	20	HKED	
C[C@@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1c[nH]c2ccccc12	495095804	YOMBQAAOMFYXHI-HNNXBMFYSA-N	400.507	5.219	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CC#N)c1ccccc1	495491222	UCRBXIJLSUWXOI-HNNXBMFYSA-N	411.914	5.173	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	496944916	OXBAKUSIMOVRAB-UHFFFAOYSA-N	402.306	5.261	30	20	HKED	
CC(C)C[C@](C)(NCCCC1(C#N)CCOCC1)c1cccc(Br)c1	499787726	WSHPEBNOWLYJHH-FQEVSTJZSA-N	407.396	5.401	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1	500096779	FLLGGZSZZVIXMQ-UHFFFAOYSA-N	404.445	5.136	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1	503408122	RFXBMQYQFARWBL-OSPHWJPCSA-N	424.566	5.740	30	20	HKED	
CC(C)(C#N)CC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	504251342	PDHOQJKWIPPQIH-GFCCVEGCSA-N	420.275	5.384	30	20	HKED	
CC[C@](C)(C#N)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	505169001	FXAMPTZSUIMDEO-HSZRJFAPSA-N	406.917	5.091	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(Cl)c(Cl)c1	505927894	FKWYQZDEGTUNNP-SFHVURJKSA-N	418.305	5.024	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)nc12	506001809	KKMMUGXDEGZYIW-IBGZPJMESA-N	421.435	5.111	30	20	HKED	
C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(Nc2cccc(C)c2)CC1	508496786	GLMIFUDBBMTWHW-UHFFFAOYSA-N	424.552	5.069	30	20	HKED	
CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)N(C)C[C@@H](C)C#N)cc1	510061178	YELVKWJLWRHOKZ-AWEZNQCLSA-N	421.419	5.520	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1	510741374	XWHQPEAWFVBJEL-LJQANCHMSA-N	421.545	5.060	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C)(c2ccccc2)CC1	510765579	RSQCTEUOVKFVSV-IBGZPJMESA-N	407.583	5.073	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1NC(=O)c1ccccc1F	514501375	CMWHLVATZHXQOY-UHFFFAOYSA-N	415.468	5.440	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1cccc(Cl)c1	517460842	AESOFDXLDLTEPO-HNNXBMFYSA-N	420.987	5.485	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc(-c2ccccc2)cs1	517956980	HOPRIRQWWOONQU-LJQANCHMSA-N	413.527	5.846	30	20	HKED	
C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N[C@H]1CCCC[C@@H]1C	521733083	CCFHBRSGLMRWKV-DZKIICNBSA-N	413.509	5.206	30	20	HKED	
CCCC(=O)Nc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	521810784	DJKTXQOSLLDOFH-INIZCTEOSA-N	410.543	5.141	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1	523227778	OQQNNDYHUQIKJI-UHFFFAOYSA-N	418.927	5.082	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc2ccccc2n1C(F)F	523351491	OOKKSCZSCFABCH-MRXNPFEDSA-N	404.376	5.109	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1C	523528007	CZLOLVXHSGQNRM-PMACEKPBSA-N	424.426	5.122	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	523615490	HWZYDQSAHGENKK-UHFFFAOYSA-N	424.501	5.108	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@@H](c1ccccc1)C(F)(F)F	523781048	UZEZFKHVRWZTCC-AWEZNQCLSA-N	410.289	5.192	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccco3)cc2)c1	524248462	XPHJYRIAHUXNIH-QFIPXVFZSA-N	401.466	6.093	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1CCC(F)(F)F)c1nc2ccccc2n1C(F)F	533955375	JGFMRJHYJPMRJE-AWEZNQCLSA-N	407.342	5.416	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1C1CC1	534839434	LNFCFOZQWQJRHX-CRAIPNDOSA-N	404.539	5.654	30	20	HKED	
CC(C)Cn1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C(F)F)n1	535642829	OPEBIEBUMFOEIO-UHFFFAOYSA-N	424.451	5.180	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1	539716612	IQCALIMHMKXQJY-DENIHFKCSA-N	407.514	5.374	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC	541066298	DGTZQBVLXDLCCW-QGZVFWFLSA-N	402.494	5.102	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	541148703	BEFSXYNUUUIIMC-PISWEHOVSA-N	411.505	5.116	30	20	HKED	
C[C@@H](NCc1nc2ccc(Cl)cc2n1C)c1ccc(-c2cccc(C#N)c2)cc1	542186514	VJGUNDNIVMXSKT-MRXNPFEDSA-N	400.913	5.616	30	20	HKED	
Cc1nnc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	546130780	XQJWHTZVSDODQE-SJCJKPOMSA-N	411.918	5.038	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(F)cc1Br	547670595	KQYPLOCUNNGINQ-GFCCVEGCSA-N	422.323	5.162	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc[nH]c3C3CC3)s2)c(C(F)(F)F)c1	550178823	DWEOXQTYPUMDKP-UHFFFAOYSA-N	416.428	5.082	30	20	HKED	
C=C(C)[C@H](CC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1)OCC	550315473	LWESVEONEIWMRG-SFHVURJKSA-N	400.931	5.986	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)C3(c4ccccc4)CC3)o2)cc1	557488078	GINXITWSOUQVNJ-INIZCTEOSA-N	406.507	5.083	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	563947741	FJOBKOZOWBKAOM-COPCDDAFSA-N	419.594	5.956	30	20	HKED	
N#CCCn1cc(CN2CCC(c3cccc(F)c3F)CC2)c(-c2ccccc2)n1	576563117	TUSRDBDNGHOKIO-UHFFFAOYSA-N	406.480	5.122	30	20	HKED	
N#Cc1cscc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	576615062	MINHKCCNOUWMHN-UHFFFAOYSA-N	407.348	5.217	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c(C)c1	578574979	GVSGBYUWUAMMBA-GOSISDBHSA-N	411.571	5.438	30	20	HKED	
N#C[C@@H](C(=O)c1conc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	580652752	GZMQRQWSSDFOOQ-LBPRGKRZSA-N	404.278	5.472	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	603645469	BLMBNAVQOBIRAJ-UHFFFAOYSA-N	401.310	5.260	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCSc4ccc(F)cc43)cn2)c1	603692999	SDMUYNKOZDACSB-IBGZPJMESA-N	420.469	5.243	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)coc2c1	603814312	PGOYGTRGSIBALI-UHFFFAOYSA-N	410.473	5.568	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)s1	604029966	MXBYWIWWNSPYAK-UHFFFAOYSA-N	415.522	5.427	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cs1	608937510	BZBVNWDEWXZERY-UHFFFAOYSA-N	417.412	5.184	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N1CCc2ccccc21	609387107	MEBMEAPZEGNICN-CQSZACIVSA-N	419.472	5.101	30	20	HKED	
COc1cccc(N(CC(C)C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	609498974	CBXFIOMVHZVZSE-UHFFFAOYSA-N	401.466	5.057	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)CCC2	609553947	NLDMTVDVOWENCE-IBGZPJMESA-N	419.510	5.052	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(n3ccnc3)CC2)cc1Cl	609554041	QRQJXACXMHRQCT-NRFANRHFSA-N	419.916	5.061	30	20	HKED	
CC(C)CN(CC(F)(F)F)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609727294	HXEOYJIQEYNXTE-UHFFFAOYSA-N	410.823	5.664	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3ccc(C#N)cc3)c12	609965756	VMXCUKHUCHFMJB-UHFFFAOYSA-N	422.366	5.341	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cc4ccccc4o3)o2)c(Br)c1	611492050	DZFNBQCPWDPFPY-UHFFFAOYSA-N	412.268	5.409	30	20	HKED	
N#Cc1ccc(CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1Cl	619748949	ZHNXMIDRBFWLHI-UHFFFAOYSA-N	408.741	5.932	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F	673700239	JZSFCTFFQWHGID-UHFFFAOYSA-N	416.318	5.549	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	685143308	VUMZDBHVRSZHSV-NSHDSACASA-N	415.318	5.219	30	20	HKED	
C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CC#N)c2C1	725712858	INLBCTIWPWWCQY-FBKQIBBUSA-N	424.548	5.019	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	727594883	PKZAAHNUQNAQPJ-UHFFFAOYSA-N	419.525	5.535	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCc1ccc(C(C)(C)C)cc1	727628276	TYJFLRMTTMBXFF-HXUWFJFHSA-N	406.526	5.053	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1	728063211	ZOMBZURKHASTQI-FQEVSTJZSA-N	413.521	5.502	30	20	HKED	
C[C@H](OC(=O)c1cccc(C(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	729747002	JUGBZKUSFIGNBJ-LBPRGKRZSA-N	418.465	5.010	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(C(F)(F)F)cc1	731332063	CGAXIXDPZWRUBP-BUYIWHAFSA-N	404.457	6.142	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2ccccc2)cc1F)c1ccccc1	731608817	XMRDWUYXIXTQRO-UHFFFAOYSA-N	415.468	5.158	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2F)cc1	733206030	BFXDZZYNYDTCHZ-WTKPLQERSA-N	404.363	5.053	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1	733601091	AWLZCIQVUHGYRY-UHFFFAOYSA-N	412.420	5.305	30	20	HKED	
C=CC[C@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccncc1	734456737	BSVSQLYBTZPWDA-INIZCTEOSA-N	403.429	5.271	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1	739157844	XTBOJRUHJKFSCS-GXFFZTMASA-N	407.347	6.158	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)c(SC)cc1OC	741164893	CNFIYMZXFZTNPD-TWGQIWQCSA-N	412.429	5.263	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	741638295	KTNIWTXYRHZEBG-UHFFFAOYSA-N	408.498	5.266	30	20	HKED	
Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1NC(=O)OC(C)(C)C	742592469	CVXDQQGZSFCSEO-UHFFFAOYSA-N	407.514	5.265	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc1O	743055600	GPCHOHXYISYKMZ-CLTKARDFSA-N	403.265	5.098	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	743095461	JJZDLRYEDGQHMC-XZOQPEGZSA-N	419.912	5.505	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c[nH]c3c(C)cccc23)cc1	744033691	VHTYRXSGGNEGNW-AOMKIAJQSA-N	401.510	5.270	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038315	QDBKPXGDEFMWPQ-WCQYABFASA-N	407.342	5.430	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)n3C)n2)cc1	744062721	WLWHOHTYNKZPSW-LJQANCHMSA-N	413.502	5.314	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)ON=Cc3c(C)nn(Cc4ccccc4)c3C)o2)cc1	748100364	LMWHNDXIOHADQP-IBGZPJMESA-N	415.497	5.018	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2ccccc2OCC#N)c(C(F)(F)F)c1	748655716	DHVFCPSEQNNEHC-CYBMUJFWSA-N	408.445	5.751	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1Br	756927117	NXSMEGPWWIATMV-FQEVSTJZSA-N	405.295	5.665	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3cnc(C4CCC4)s3)SC2=S)cc1Cl	760217401	VELGAENVNACATK-VIZOYTHASA-N	417.968	5.341	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(C(F)(F)F)s1	761749321	PPXGRWPRRDJRDC-UHFFFAOYSA-N	419.453	5.396	30	20	HKED	
Cn1c(CC(=NOCc2ccc(C(F)(F)F)cn2)c2ccccc2)nc2ccccc21	766712802	XWGXMYQROCUNFO-UHFFFAOYSA-N	424.426	5.151	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1	769243883	WDGZFLQZLTXROG-SFHVURJKSA-N	421.394	5.506	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc2cccnc12)c1nc(-c2c(F)cccc2F)cs1	772651879	IWFCDECVCMMZLZ-OAHLLOKOSA-N	405.429	5.055	30	20	HKED	
CCOc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1	776167697	HCDXAMBTTMHEAO-BVZFJXPGSA-N	420.940	6.081	30	20	HKED	
N#Cc1cc(NC(=O)c2sc(N3CCCC3)nc2Cl)ccc1Oc1ccccc1	777973592	PNYAEGPYVMNUJN-UHFFFAOYSA-N	424.913	5.313	30	20	HKED	
CCOCCOc1ccc(Br)cc1N[C@H](C)c1ccc(C#N)c(F)c1	779183664	GBIHYSKSGKQAEQ-CYBMUJFWSA-N	407.283	5.048	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCCN(C2CCC2)C1	781401948	OEYDKOBPVBSUIA-UWUFEASWSA-N	416.569	5.117	30	20	HKED	
Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cnc(-c2ccco2)s1	782151315	CKVFGMCMVFATQB-UHFFFAOYSA-N	422.322	5.139	30	20	HKED	
C[C@@H](NC(=O)Nc1cccnc1Br)c1ccc(-c2cccc(C#N)c2)cc1	782589028	YPKYGJRUMZPFPG-CQSZACIVSA-N	421.298	5.265	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c1ccccc1C(F)(F)F)c1ccccc1	787032650	DNGBWHIEFKJULO-ADLWQDTESA-N	414.427	5.085	30	20	HKED	
Cc1c(Br)cccc1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	791772759	CYSBFFSWRDTKMB-INIZCTEOSA-N	411.324	5.300	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1nccc2ccccc12	792095209	VBZMJXXRZDLHLS-VWLOTQADSA-N	422.484	5.112	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1nccc2ccccc12	792107090	UMTZEKSXLMOOIC-QGZVFWFLSA-N	411.324	5.274	30	20	HKED	
Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	793428524	KOEQHVWOGPZOLN-UHFFFAOYSA-N	404.491	5.329	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C)C[C@H]2c2ccccc2)c1=S	795747280	JJMAFXQPOFWGAJ-RXVVDRJESA-N	405.571	5.093	30	20	HKED	
Cc1c(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)sc2ccc(C#N)cc12	796625742	JCYHCANYOFCEPO-UHFFFAOYSA-N	409.854	5.142	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C#N	799604450	ZFDWECIWRYSYAC-INIZCTEOSA-N	412.301	5.787	30	20	HKED	
N#CC1(CCCOC(=O)c2oc3ccccc3c2COc2ccccc2)CCOCC1	800099392	IVUQKCRDPFXXFW-UHFFFAOYSA-N	419.477	5.269	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1	800576594	QQPMSBGSDIJQFS-UHFFFAOYSA-N	413.562	5.060	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C/c2csc(-c3cccc(OC)c3)n2)C(=O)c2ccccc21	802707727	OOJDARMEMBNBIN-NIHHCSOHSA-N	419.502	5.135	30	20	HKED	
Cc1ccc(OCc2nc(COC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cs2)cc1	803926391	XHKFLXMSQLBFOU-UHFFFAOYSA-N	424.497	5.062	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2ncc(-c3ccccc3)s2)cc1	811635767	KVDYVIUGDXJQPG-UHFFFAOYSA-N	411.943	5.230	30	20	HKED	
CCCN(C(=O)c1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1)C(C)C	814674514	QEKGCPSKLDAZBR-QFIPXVFZSA-N	420.557	5.504	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)cc1Cl	913617497	FTVFVUWZLJXZJX-AATRIKPKSA-N	420.296	5.232	30	20	HKED	
Cc1nc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	915102966	MDUQHILFOGTZJO-CYBMUJFWSA-N	408.335	5.301	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccncc2)ccc1OCc1cccc(C(F)(F)F)c1	916136467	ONAFRMMSVAHLIA-FNORWQNLSA-N	413.395	5.584	30	20	HKED	
N#C[C@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc2ccccc2s1	916650535	WHWKSZLBMBOZML-QGZVFWFLSA-N	402.475	5.177	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCCc3ccccc3C2=O)cs1	917558227	NVKCEOZREJECJG-LGMDPLHJSA-N	406.482	5.569	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3ccc(F)cc3C2=O)cs1	917560708	WOWVQRANBXQETK-LFIBNONCSA-N	422.481	5.324	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	920105880	HKFXSWYUFYFROZ-OAQYLSRUSA-N	413.452	5.228	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cc(Cl)c1OC	920481061	UIPUXOBMEUMCPD-BAQGIRSFSA-N	400.780	5.194	30	20	HKED	
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(N4CCOC4=O)cc3)ccc21	920749774	PNQIHEJJBOQUQB-RIYZIHGNSA-N	410.473	5.667	30	20	HKED	
CC(C)c1cccc(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	920994214	OTUCTVLRHSXFPA-UHFFFAOYSA-N	417.553	6.220	30	20	HKED	
Cc1ccc(Cc2sc(NC(=O)CSc3cccc(F)c3C#N)nc2C)cc1	1656589270	UBZWUEYGQRUGMN-UHFFFAOYSA-N	411.527	5.092	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@]3(F)Cl)CCC2)cc1	1785842085	JOZWRIFXWWJGPC-VGOFRKELSA-N	406.929	5.037	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1	1790859968	SCWMSFXNHNIKNN-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3ccccc3)CCC2)cc1	1791580985	UGUFZOXXIVEBPL-IBGZPJMESA-N	420.578	5.105	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3ccccc3)CCC2)cc1	1791580987	UGUFZOXXIVEBPL-LJQANCHMSA-N	420.578	5.105	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCCC4)CCC3)cc2)c1	1792122288	IUKZLYWXVYTIBX-SFHVURJKSA-N	415.537	5.252	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)[nH]n1	1819553748	UDOKRUXFRPTUGV-ARKBFRDHSA-N	420.557	5.108	30	20	HKED	
N#Cc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c1	4463110	IFEWMPONLPLKAB-UHFFFAOYSA-N	414.465	5.038	30	20	HKED	
C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1ccc(OC)cc1	5854695	AXUGQAZNEPRSEL-UHFFFAOYSA-N	423.538	5.033	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccc(Br)c3)o2)cc1	7434055	PBYJWCJKZCGQAX-INIZCTEOSA-N	400.301	5.035	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C)cc2)cc1	10173248	QSEHTNPXKCDXKT-UHFFFAOYSA-O	417.598	5.903	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1ccccc1CC	10174275	HCRXSMRXIGOPLG-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(C#N)cc1	26123648	WLQJCYLTCOOEOQ-AWEZNQCLSA-N	411.383	5.255	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)n1	26143101	OIRNEHOQBITXRA-NSHDSACASA-N	413.852	5.362	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3ccsc3)c2)c1	48125998	FZZQDBHOEONBIF-OAQYLSRUSA-N	416.506	5.241	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1Oc1cccnc1)c1nc2ccccc2n1C(F)F	52367918	GENUHILHXOBODF-INIZCTEOSA-N	404.376	5.109	30	20	HKED	
C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(Cl)cc1	108418660	MNASMAUEXOMBOV-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
C[C@H](Sc1cccc(Br)c1)C(=O)N(CCC#N)c1ccc(F)cc1	303177376	KEJSKSINTWGIBL-ZDUSSCGKSA-N	407.308	5.016	30	20	HKED	
COc1ccc2c(c1)[C@H](N(CCCC1(C#N)CCOCC1)Cc1ccccc1)CCO2	410382150	NNZLDHRAJSOIJK-XMMPIXPASA-N	420.553	5.122	30	20	HKED	
N#CCCC[C@@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1	433033043	CWOHPZYYOZIPHR-JOCHJYFZSA-N	421.928	5.241	30	20	HKED	
CC(C)[C@@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	434611271	FMNBOXNLXXYXIT-HXOBKFHXSA-N	413.562	5.488	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1	437401705	BKPAFWNZFAGANF-QRWLVFNGSA-N	415.459	6.122	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(Br)c1)c1ccc(C(F)(F)F)cn1	437550831	SRTMMFJYORRTMI-LBPRGKRZSA-N	403.585	5.006	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1	438643249	STXGGFUHGMFSFV-UHFFFAOYSA-N	422.554	5.146	30	20	HKED	
CN(C(=O)c1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1)c1ccccc1	439296352	MBVGRSKTSDPGNS-HSZRJFAPSA-N	412.493	5.130	30	20	HKED	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(C#N)cc1Cl	439426380	BLZXHANBYDDJHB-UHFFFAOYSA-N	401.297	5.327	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)SCc1ccc(C#N)cc1OC(F)F	439534990	YDBBMQRUOQLJAO-CQSZACIVSA-N	418.509	5.545	30	20	HKED	
O=C(Nc1ccc(CCC(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	440292655	QGTOXQZRGKBTAN-UHFFFAOYSA-N	422.291	5.530	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@]2(CCCOC2)C1)c1ccc(C(F)(F)F)cc1	441539632	ZEKLQIWOBXZREW-TZIWHRDSSA-N	410.480	5.315	30	20	HKED	
Cc1nc(CC(C)C)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1	445827035	ZRBLZEKUXOCLNE-UHFFFAOYSA-N	406.511	5.270	30	20	HKED	
C[C@H](N[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1	467633360	CAGDKIOFTUOCBB-KBPBESRZSA-N	401.457	6.112	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)c1cn(CCCC#N)c2ccccc12	469225206	RLMVSGVEIXTZIE-UHFFFAOYSA-N	414.534	5.307	30	20	HKED	
C=CCOc1ccc(CN(Cc2nnc(-c3ccc(OC)cc3)o2)C(C)(C)C)cc1	474156626	GVUVBNBVBPLXLW-UHFFFAOYSA-N	407.514	5.111	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1NC(=O)c1ccccc1	474436423	WZXJFRWJPCWYFG-GOSISDBHSA-N	403.507	5.317	30	20	HKED	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)C[C@@H](CC#N)c1ccccc1	474594986	ONARDTRMZGKKPJ-HXUWFJFHSA-N	413.525	5.006	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(F)cc2OC)CC1	475576890	BCGHCSBXAPLYTL-UHFFFAOYSA-N	411.521	5.040	30	20	HKED	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)CCc2c(C)nc(O)c(C#N)c2C)o1	477934314	UOZMLBBTWHNIHG-UHFFFAOYSA-N	409.873	5.069	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC2CCN(C3CCCC3)CC2)c1	482725223	VJGHVLOOTFQIKJ-UHFFFAOYSA-N	423.944	5.141	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1c(-c2c(Cl)cccc2OC)noc1C	483421956	PJABIDHZDQSRTF-UHFFFAOYSA-N	410.901	5.183	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc(C3CC3)nc21	487619599	RRTQQUHKYSNUFD-NRFANRHFSA-N	401.514	5.055	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccccc1	490086991	DGDHMZGROGHBSG-HSZRJFAPSA-N	414.553	5.284	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1	494685925	MILBVXCQESYCRM-UHFFFAOYSA-N	415.436	5.359	30	20	HKED	
CCCC[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cc(C)on1	495526299	CCCWOROZXVSALV-JOCHJYFZSA-N	418.497	5.043	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)c2)cc1	497800936	WHMPOIFWJICGJX-DHIUTWEWSA-N	418.443	5.352	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1	498189789	CSVBMHBAQGZJCM-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
Cc1sc([C@H](C)NC(=O)NCC(C)(C)CCC#N)nc1-c1ccc(Cl)cc1	499186499	FBOHFKBVCYYXRM-ZDUSSCGKSA-N	404.967	5.462	30	20	HKED	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(F)cc1OCCC(F)(F)F	500197183	KJCZULQWEMKAQC-AWEZNQCLSA-N	423.328	5.832	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1	500749771	NAVWBBORGYQXEW-OAQYLSRUSA-N	412.967	5.412	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F	501089349	QCTWJAUUFCJCGO-CVEARBPZSA-N	424.463	5.071	30	20	HKED	
CCC1CCC(N(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1	503258819	HPXMNAFXWVVUMY-UHFFFAOYSA-N	415.588	5.135	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccc4nc(C5CC5)sc4c3)CC2)c(F)c1	509850037	YZYIFGKCLRPLDE-UHFFFAOYSA-N	420.513	5.040	30	20	HKED	
Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	511485138	XEWSFGJANPXAOT-DEOSSOPVSA-N	424.504	5.488	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	513233407	LUYMXZFJJUSMST-UHFFFAOYSA-N	413.502	5.395	30	20	HKED	
C=CCn1c(SCc2csc(C3CCCCC3)n2)nnc1-c1ccoc1C	514563580	YFPPGDROZDFUGY-UHFFFAOYSA-N	400.573	5.829	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	517530480	RZJYCQDVUXHJMB-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)[C@@H](Oc4ccccc4C#N)C(C)C)CC3)c[nH]c2c1	518065684	WKSBPQOFTISZRI-VWLOTQADSA-N	413.521	5.067	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(C(F)(F)F)c1	518666816	JUYXEQMMWADSMO-CQSZACIVSA-N	424.513	5.829	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)C2(c3ccccc3F)CCCC2)CC1	518957599	MRMVGFOVICAXCW-UHFFFAOYSA-N	406.501	5.016	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1	521811877	XOXNOWZAPLXVOV-ZDUSSCGKSA-N	420.365	5.978	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4csnn4)cc3)cc2)cc1	521952771	CHSROEHRDYEQDS-UHFFFAOYSA-N	412.474	5.316	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2C#N)C1	522093470	IABOHZFGCNMJGY-LLVKDONJSA-N	424.507	5.029	30	20	HKED	
CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(F)c1	522792520	DHLKUVWWSLQMHM-UHFFFAOYSA-N	418.537	5.697	30	20	HKED	
N#CCN(C(=O)c1oc2ccccc2c1CSc1ccccc1F)C1CCCC1	523137314	RXEWLOLDFUIGGP-UHFFFAOYSA-N	408.498	5.773	30	20	HKED	
CCOc1ccc(OC)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523956791	DFSBVONBFUZQII-UHFFFAOYSA-N	422.868	5.664	30	20	HKED	
Cc1noc2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c12	523957685	HOLHWTCOYLHHHC-ZDUSSCGKSA-N	410.886	5.408	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C1	524197486	OPCFTZQSBASUOE-BMLIUANNSA-N	400.853	5.776	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C1CC1	533597638	ZCRFMMHLJAIKSC-CYBMUJFWSA-N	404.392	5.049	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1	534173562	JGPZQZWPNFUAEN-AOMKIAJQSA-N	402.881	5.056	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cc(F)ccc1F	540460314	INCYZXREPCXYJH-KSSFIOAISA-N	403.498	5.038	30	20	HKED	
Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	542206308	SRNWQWHWAGMARG-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2cccc3ccccc23)C1	543880780	UJKVLASBXOJQCO-SFHVURJKSA-N	413.546	6.165	30	20	HKED	
N#CC1(c2ccc(-c3nc(-c4cccc(NC(=O)c5ccccc5F)c4)no3)cc2)CC1	544949548	RPNWFGHRZUJCQA-UHFFFAOYSA-N	424.435	5.350	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCC1	546127660	HWYNMPZHFCQXCY-KRWDZBQOSA-N	409.555	5.333	30	20	HKED	
N#C[C@@H](C(=O)c1ncsc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	549423213	JYHTVVOKNJBWLU-JTQLQIEISA-N	413.833	5.429	30	20	HKED	
N#CCCN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(F)cc1	551661475	OPRSMXBJOIAQAG-UHFFFAOYSA-N	419.843	5.704	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](CC)c2ccccc2OC)cc1	554179952	SPPWNTLJSCZWBI-JOCHJYFZSA-N	421.541	5.124	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ncc(-c4cccnc4)s3)cc2)cc1	561016501	FOAOYWGOAQEOOH-UHFFFAOYSA-N	412.474	5.316	30	20	HKED	
N#Cc1ccc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c([N+](=O)[O-])c1	561319474	GIATUVXDHJJQHU-LJQANCHMSA-N	405.376	5.065	30	20	HKED	
C[C@@]1(c2ccccc2)CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1	565141304	HHBNBWHFDTUHSR-AREMUKBSSA-N	412.537	5.048	30	20	HKED	
N#CCCCCCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	588816928	RUOZFJMUQCKMAK-UHFFFAOYSA-N	407.514	5.956	30	20	HKED	
C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N(CCC#N)c1ccc(F)cc1	598774998	NKOUSEQSHGBNFS-MRXNPFEDSA-N	401.441	5.472	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)n1	602755584	IYRVPPVSHKGEBQ-MRXNPFEDSA-N	411.424	5.175	30	20	HKED	
C=CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603458914	OEXSUQOPFOMWTL-UHFFFAOYSA-N	423.538	5.454	30	20	HKED	
Cc1ccc(-n2c(SCc3cc(C#N)ccc3F)nnc2-c2ccccn2)c(C)c1	603918012	QKNRKUFRTGGEEU-UHFFFAOYSA-N	415.497	5.249	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2(C#N)CCCC2)ccc1Cl	603989408	HFAVPYQNBCYORZ-UHFFFAOYSA-N	409.917	5.025	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCCOc3ccccc3Cl)cn2)c1	604517456	LPMBMFCQDMQECZ-UHFFFAOYSA-N	407.857	5.197	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3COc3ccccc3)o2)cc1	609059014	ACMOSULYYJBFMO-UHFFFAOYSA-N	424.456	5.562	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cc2)n1	609098810	OHAHZKXFRQJRQJ-FQEVSTJZSA-N	420.563	5.082	30	20	HKED	
CCN(CC)Cc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	609436856	HVPAADDSVKVJJF-GOSISDBHSA-N	410.587	5.244	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCN1CC1CCCCC1	609452155	USDAMLCYJLJBJP-UYAOXDASSA-N	414.619	5.105	30	20	HKED	
CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H](C)c1cccnc1	609682421	XFIYLHISDVMKEK-IBGZPJMESA-N	414.509	5.456	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)c1	609791932	WUFJBOJGDJOFRC-XMMPIXPASA-N	414.530	5.068	30	20	HKED	
CC(C)n1c([C@@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21	609837048	ARJDJLFIWISHSG-GOSISDBHSA-N	424.504	5.772	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1	610172935	GKJNBBLLALWKTI-UHFFFAOYSA-N	414.509	5.025	30	20	HKED	
Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)c4cccc(C#N)c4)cc3)o2)c1	610359162	FBVLXNYOCFJBNW-KRWDZBQOSA-N	408.461	5.075	30	20	HKED	
CC(C)C[C@@H](C#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1	611250405	CUPIQUDZEHDVNW-KRWDZBQOSA-N	417.372	5.409	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)n2)cc1	613318032	HIPFUBXBBXDZSX-KRWDZBQOSA-N	402.454	5.138	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1	618752013	ZLFMNXOVKLVQJO-JOCHJYFZSA-N	424.460	5.040	30	20	HKED	
Fc1cccc(F)c1-c1csc(CN2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)n1	681403721	CVBNEDHSCICOFB-IUCAKERBSA-N	416.337	5.261	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	682777261	KCRIDHUDKCFEQC-KRWDZBQOSA-N	413.512	5.465	30	20	HKED	
N#C[C@H](C(=O)c1coc2cc(F)ccc12)c1nc2cc(C(F)(F)F)ccc2s1	684631108	LSRCZILUPAXSFX-GFCCVEGCSA-N	404.344	5.690	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	727978429	KWJJRNMKQYLJEG-UHFFFAOYSA-N	423.925	5.608	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1	728480853	RMEPXXJVLMPREV-UHFFFAOYSA-N	410.926	5.332	30	20	HKED	
C[C@@H](C#N)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)cc1	731298451	IZMJTXLRLXEFOE-OYHNWAKOSA-N	403.869	5.402	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)cc1F	732434601	CXJFIWGTGPAAFA-GFCCVEGCSA-N	422.323	5.304	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2cc(C(F)(F)F)ccc2F)cc1	733206029	BFXDZZYNYDTCHZ-RUDMXATFSA-N	404.363	5.053	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)ccc1OC	733656067	GVYYYVHJOYCZMT-YADHBBJMSA-N	421.541	5.040	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=S)Nc2c(Cl)ccc(C)c2Cl)c1	733755323	RAZSTQBNPOIIDW-CQSZACIVSA-N	408.354	5.469	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2ccco2)c1	733773055	MSAJILORUPJMLW-SFHVURJKSA-N	406.507	5.183	30	20	HKED	
CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(OCC#N)c1	733921292	WXXZJMKHPVOBHE-UHFFFAOYSA-N	405.420	5.096	30	20	HKED	
O=C1/C(=C\c2nccn2Cc2ccccc2)CSc2ccc(Br)cc21	734096125	YASHLDFXWNGHLJ-GDNBJRDFSA-N	411.324	5.066	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1	734205291	GGSKELUJCRWESY-UIOOFZCWSA-N	424.548	5.128	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1)C1CC1	734303289	JRRVOXWRLBIONY-UQCOIBPSSA-N	415.729	5.515	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(Br)c1)c1ccncc1	734678515	HKKRPYOQHZWTCG-RTBURBONSA-N	400.320	5.008	30	20	HKED	
C=CCCCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1	735414091	DKLQEDNPEUEURX-RCCKNPSSSA-N	408.523	5.147	30	20	HKED	
C=CCCCCCN(C)C(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2	739809139	FOULNQVSYAVYGB-UHFFFAOYSA-N	411.571	5.093	30	20	HKED	
N#Cc1ccc(F)c(CNCc2ccc(-c3ccccc3Br)s2)c1	742381942	UHPMEACMDJRDIQ-UHFFFAOYSA-N	401.304	5.478	30	20	HKED	
COc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F	743473053	KTGRIKJFHOPLLY-CQSZACIVSA-N	423.875	5.785	30	20	HKED	
Cc1ccccc1-c1cnc(COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	745001962	IPEKTLWVZYCDQQ-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccnc(Cl)c1	757930035	CMMBYBRNOJHBTE-VMPITWQZSA-N	405.860	5.301	30	20	HKED	
COc1cccc2c1C/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O	759653315	PFUFHZKDOCMUCV-GXDHUFHOSA-N	424.909	5.312	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	760197237	WQFZKRPSKKQUFT-KBXCAEBGSA-N	408.910	5.549	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c(Cl)c1	760718361	SNMNSBRUTXIWRW-OAHLLOKOSA-N	418.107	5.025	30	20	HKED	
Cc1cncc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	767367925	RIVRUNJVOQVBRY-YVMONPNESA-N	411.288	5.845	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1	767895408	OMHWXSVVENWTME-AZUAARDMSA-N	401.432	5.249	30	20	HKED	
O=C(/C=C\c1ccc2ccc(Br)cc2n1)c1ccc(N2CCCC2=O)cc1	771519083	XXUQKTKNFDAPFI-XFXZXTDPSA-N	421.294	5.020	30	20	HKED	
C[C@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc(OCC#N)cc1	774473931	XZYQANUNFPOAGM-LBPRGKRZSA-N	400.347	5.425	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)c1ccc(Cl)cc1	777303447	ACZPRJFALHMFAU-ABAIWWIYSA-N	417.317	5.688	30	20	HKED	
CC(C)N1C(=O)C[C@H](/N=C\c2cc(Cl)ccc2O)[C@H]1c1ccc(Cl)c(F)c1	782881687	XNVZVQZZTSDRDL-MHWARJCZSA-N	409.288	5.008	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1	785470258	YRDXKVNROVWBSJ-IBGZPJMESA-N	414.431	5.066	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1)c1ccncc1	786768221	NLSUZTGGRWGYLP-AUUYWEPGSA-N	408.329	5.115	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1)c1ccccc1	787046953	UFBYAHNGAPMQSE-SJLPKXTDSA-N	423.925	5.053	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)cc1	788502021	RDCKEXYKHCOERS-UHFFFAOYSA-N	414.534	5.323	30	20	HKED	
N#C[C@@H](C(=O)C(F)(F)Cc1ccccc1)c1nc(-c2c(F)cccc2F)cs1	796669016	CBEPFWKBIZERNJ-ZDUSSCGKSA-N	404.388	5.143	30	20	HKED	
C[C@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	798404910	RKKPMQQBRJVUMK-TVYUQYBPSA-N	421.303	5.398	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(-c3cccc4cccnc34)cc2)CCOCC1	803896530	JSNNNODFYRFOCX-UHFFFAOYSA-N	400.478	5.159	30	20	HKED	
CCCCCCC[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1	806499738	SUFAKOAQVVZQPI-UYAOXDASSA-N	420.598	5.197	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccnc2)CCCC1)c1nc(-c2ccc(Cl)cc2)cs1	808978785	BDCBPYILIWONKO-GOSISDBHSA-N	407.926	5.547	30	20	HKED	
COc1ccc([C@@H](OC(=O)Cc2cccc(OCC#N)c2)c2ccc(Cl)cc2)cc1	810635017	ZFDYLZNXUGUWCY-DEOSSOPVSA-N	421.880	5.126	30	20	HKED	
C#C[C@H](NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1	811859810	AUSGQWRYVPYWAK-HXOBKFHXSA-N	419.912	5.049	30	20	HKED	
CN(C)c1nc(CN[C@@H](CCCC#N)c2ccccc2)c(Cl)n1-c1ccccc1	816627533	QEWGSRLFKFWYFR-FQEVSTJZSA-N	407.949	5.116	30	20	HKED	
C[C@H](Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(C)(C)O)cc1	864018362	FBAVDXDAPYZCRO-LBPRGKRZSA-N	423.372	6.377	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccc(Cl)cc3c2C)cc1Cl	916940426	XFMCMKRZAWKFQX-CQSZACIVSA-N	417.248	5.018	30	20	HKED	
Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917045180	YCXIPXBXWWMIDL-OAHLLOKOSA-N	418.440	5.659	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(CSc2nc(C)cs2)cc1	919895362	DSUVXEUUMVJNIV-UHFFFAOYSA-N	409.536	5.267	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccccc2OC2CCCC2)cc1	920068163	KVZRDCTWVZSKKN-QINSGFPZSA-N	402.494	5.217	30	20	HKED	
Cc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920140710	GGYQAFOGURDHHK-IBGZPJMESA-N	403.532	5.349	30	20	HKED	
Cc1c(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)cnn1-c1ccc(F)cc1	920991163	BIJUDHQJEPWHPP-WTKPLQERSA-N	423.879	5.195	30	20	HKED	
Cc1ccc(-c2nc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)sc2C)cc1	921240466	QUHNDLBNHYPVTF-UHFFFAOYSA-N	402.479	5.243	30	20	HKED	
C[C@H](NCc1nc(O)c2cc(Cl)ccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	1473374154	IKYHOAWHYVWHQW-HNNXBMFYSA-N	414.896	5.378	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(CC)noc3C)CCC2)cc1	1789456526	VYQGPIYYTWUOJZ-HXUWFJFHSA-N	421.541	5.062	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nc2ccccc21	4492905	RBWHSGSKEUTEOM-UHFFFAOYSA-N	416.344	5.024	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1ccccc1	4563094	HRHZKRXVBBBVRV-UHFFFAOYSA-N	415.518	5.019	30	20	HKED	
Cc1cc(C)c(NC(=O)/C(=C/c2cccc(C#N)c2)C(=O)c2ccccc2)c(Cl)c1	14179932	SDVSOYUZGFRMQR-KGENOOAVSA-N	414.892	5.734	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)c1	22729792	GBQGIPLBVZDLQX-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)n1	26143095	OIRNEHOQBITXRA-LLVKDONJSA-N	413.852	5.362	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1coc(-c2cccs2)n1	26671180	SLEGSUPIRHLIHF-UHFFFAOYSA-N	417.515	5.356	30	20	HKED	
C=CCn1c(SCc2nc(C(C)C)no2)nc2cc(-c3ccccc3)sc2c1=O	29142084	JNMAGUVXBQFDRQ-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	47521207	DNOYOZUTIUAMQM-NSHDSACASA-N	413.346	5.002	30	20	HKED	
CC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	53747934	IWAUZWGIWQBAGJ-UHFFFAOYSA-N	401.441	5.134	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1	56758114	VKADXFCIWSVNPT-HSZRJFAPSA-N	403.526	5.178	30	20	HKED	
CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	60450740	ZLQLRVLJMARBOP-UHFFFAOYSA-N	412.967	5.838	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	66024575	SWCRMQNSGXYKPU-SFHVURJKSA-N	404.460	5.244	30	20	HKED	
N#CCCCCNCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1	236582741	RLHXJTXEVMZWLT-UHFFFAOYSA-N	409.331	5.085	30	20	HKED	
Cc1nc(-c2ccc(NCc3cccc(-c4ccc(C#N)s4)c3)nc2)nc(O)c1C	301403333	RVOILGZASHAHTQ-UHFFFAOYSA-N	413.506	5.073	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(OCc4cccnc4)c3)c2)cc1	303148312	FAHKDCGBHYMSEF-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccn(-c2cccc(C#N)c2)n1	409603175	YTPTWCVTJVLDLQ-SFHVURJKSA-N	412.518	5.209	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCc1c(F)cc(F)c(F)c1F	430938081	ACUIETWBOLXARD-AWEZNQCLSA-N	408.317	5.044	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)[C@@H]1OCCc2sccc21	431945707	JSCQSGCTWINCOA-VFNWGFHPSA-N	419.506	5.004	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CO)c1ccccc1OC(F)(F)F	432575921	AUKQWNUBRCVNMG-GOSISDBHSA-N	422.447	5.292	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1SCC#N)[C@@H](C)c1cc2ccccc2o1	434809223	NPQAODSDCNTSAC-KRWDZBQOSA-N	407.539	5.460	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12	437889357	KNWRQGWAOZYUTC-MJGOQNOKSA-N	422.435	5.140	30	20	HKED	
CCC[C@]1(C)CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	437891537	UMWRXZZOILUFFB-XMMPIXPASA-N	404.514	5.245	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)NCCSCc1ccccc1C#N	438447741	VFZOVMPSCILVMS-UHFFFAOYSA-N	413.612	5.563	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([C@H]2CCCO2)CC1	439223323	NBUGOTSUBBXFCI-HSZRJFAPSA-N	405.498	5.082	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cnc(C(C)C)nc1	440934264	QVXPCQHISAYZIS-UHFFFAOYSA-N	415.497	5.236	30	20	HKED	
C=CCC[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccc(C(F)(F)F)cc1	442269384	FWQYGYVXKIJSOG-HXUWFJFHSA-N	405.464	5.728	30	20	HKED	
Cc1csc(N(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C2CC2)n1	460369795	JSPKIXJKXXSVNF-UHFFFAOYSA-N	409.898	5.578	30	20	HKED	
C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1csc(-c2ccccc2F)n1	462804856	QUUBRDHZDBKPQU-ZLPCBKJTSA-N	422.529	5.257	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464462851	POUDUGLKBFQTPH-OAQYLSRUSA-N	423.438	5.222	30	20	HKED	
CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	464868588	FCWVXXBYKGXEBD-AEFFLSMTSA-N	414.958	5.750	30	20	HKED	
N#CCCCOc1cccc(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1	466476470	YLOPXBRHUQOOOH-NRFANRHFSA-N	417.578	5.388	30	20	HKED	
Cc1ccc(C)c(OC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)c1	468817753	DLNTXYLWTYHRHY-UHFFFAOYSA-N	415.537	5.246	30	20	HKED	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1cccc(OCCCC#N)c1	470518249	LFBOXGPRMUIBGF-HNNXBMFYSA-N	417.893	5.080	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(OC(F)(F)F)c1	470591806	UPQYRGVRJUTQFL-AWEZNQCLSA-N	423.460	5.501	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(-c2ccc(Cl)cc2)s1	471086349	NEHUQWXQPZVKSM-HNAYVOBHSA-N	419.937	5.500	30	20	HKED	
C[C@H]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H]1c1cccc(F)c1	472345784	FPYLGSFMVZQFCB-YGKZAACZSA-N	411.546	5.242	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1	478218485	QGGOAMBFCLQYCE-UHFFFAOYSA-N	413.443	5.828	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1	479519850	UVJSFSPVIUKJOC-UHFFFAOYSA-N	424.485	5.544	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)o1	482492179	SUHWBRRYHMOAPA-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)n[nH]2)cc1	483448306	VOLPEORHIQGUCF-GOSISDBHSA-N	414.490	5.007	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)c(C#N)s1	483812662	ZDCNWNBBMIZCGX-UHFFFAOYSA-N	416.597	5.441	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)cc1	483815290	JPJQKHGKYCAUIE-NRFANRHFSA-N	405.498	5.176	30	20	HKED	
Cc1c([C@@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc2ccccc12	484349922	KDDKYQMCFDOVCA-NVXWUHKLSA-N	407.539	5.425	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc2ccccc2n1	485699380	VEFIVNYVKBMDHM-UHFFFAOYSA-N	408.461	5.174	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1	485739105	QWWAANHNXMJFHN-UHFFFAOYSA-N	409.536	5.299	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccc(Cl)c2Br)c1	486818583	CGCLLBUZDPMHFV-UHFFFAOYSA-N	407.695	5.162	30	20	HKED	
C=CCC(C)(C)CNC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C	489988254	LHLCVBJIMIPXHI-UHFFFAOYSA-N	408.926	5.433	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3ccccc3F)nc2)c1	490170702	VRVVZCUIZWYSOG-UHFFFAOYSA-N	406.417	5.340	30	20	HKED	
C[C@H](Cc1nnc(SCc2cc(C#N)ccc2Br)o1)c1ccccc1	491884415	ATTIBZHTYJFUHM-CYBMUJFWSA-N	414.328	5.342	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(C#N)cc1Cl	494632631	DUSGRJWBYVUWQX-UHFFFAOYSA-N	418.305	5.461	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)n1	496163287	BAEHHLLBYVNIGV-QGZVFWFLSA-N	420.881	5.312	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OCc2cscn2)c1	497497779	XHCZKXSPEKPJAL-UHFFFAOYSA-N	404.944	5.265	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2cccs2)cc1	498549910	LGZBROQFUFXIMP-UHFFFAOYSA-N	404.516	5.588	30	20	HKED	
C=CCN(Cc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1)Cc1cccs1	499059799	RHKGXJVKHUHXJK-UHFFFAOYSA-N	411.527	5.040	30	20	HKED	
Cc1nc(COc2cccc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)cs1	500300618	ZNIHKICVTOJSKB-UHFFFAOYSA-N	419.550	5.201	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c12	505323721	XYFQMUOQVLFUIK-AWEZNQCLSA-N	414.387	5.127	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc(-c2ccccc2)cs1	505427233	FLHGVZMNXAAMDQ-CQSZACIVSA-N	423.469	5.702	30	20	HKED	
N#C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1c(Cl)cccc1Cl	505482423	YORNUTHXXMTGAB-DOMZBBRYSA-N	401.215	5.410	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	506757946	GALNTLWKWPBPQD-INIZCTEOSA-N	423.538	5.575	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(C)C	510219758	ICKGRESJTVZPJA-QFIPXVFZSA-N	417.534	5.384	30	20	HKED	
Cc1c(C#N)cccc1C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	510231789	ZOVMXAUXSHGFKQ-UHFFFAOYSA-N	409.411	5.123	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc(OC)c1	510646077	ONVFSBLFUOAJIR-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)cc1	513191473	NWMPSHXUEMYVKZ-INIZCTEOSA-N	415.440	5.837	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1F	513252955	QVLPIGQENOZDST-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	518169893	UTZNPXNJLCLMGD-DYESRHJHSA-N	409.555	5.706	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1	518494208	DYGFVCOLGPAHBK-QFIPXVFZSA-N	406.482	5.568	30	20	HKED	
CCSc1cc(Cl)ccc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	518631186	WQJPSANEYZIATH-UHFFFAOYSA-N	409.898	5.763	30	20	HKED	
C[C@@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccc(C#N)cc1	519176001	NACWPJYFKFNFFP-VLIAUNLRSA-N	420.513	5.259	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(OCc4ccncc4)cc3)cc2)c1	520592674	CGCVUYPNRGDXRI-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
Cc1ccc(C)c(OCCSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	521733112	CQKAOGZTMHZBBB-GOSISDBHSA-N	414.596	5.448	30	20	HKED	
N#CCCn1ccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)n1	522724030	ACZQAJXPNPQFOL-UHFFFAOYSA-N	416.506	5.229	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2sccc2C)cc1	523014908	OIOHZVMWAAIFMC-NRFANRHFSA-N	419.550	5.078	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)CC1	523522096	VVFCHVLSJKPFPP-GOSISDBHSA-N	411.977	5.408	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	525432848	NTGAIRHNYBAKMF-CABCVRRESA-N	415.864	5.618	30	20	HKED	
N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c1	530676369	ZGIWBMFWPBOQBU-UHFFFAOYSA-N	415.543	5.566	30	20	HKED	
CCn1nc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1C1CC1	535599162	PXGMIVUDYUWKLD-UHFFFAOYSA-N	406.873	5.350	30	20	HKED	
CCOc1cccc([C@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1	538180375	OCQSCHHNCXTYKO-IBGZPJMESA-N	416.521	5.395	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)cc2)cc1	539029858	ZYCCSEFQTSBNJX-HYBUGGRVSA-N	413.477	5.250	30	20	HKED	
CC[C@H](C)Oc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1	539679078	OPWNMKKQKNJQNJ-JSGCOSHPSA-N	413.449	5.151	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1ccc(Br)c2cccnc12	542232477	SMPHUKNUJJXLPV-AWEZNQCLSA-N	412.356	5.861	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(C#N)c2)nc1-c1ccccc1	543636505	QQUVRKPTOYZVJY-FQEVSTJZSA-N	419.912	5.967	30	20	HKED	
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CCC(CC#N)CC2)cc1	543828863	HYSAZLKSFKCSMM-UHFFFAOYSA-N	413.905	5.689	30	20	HKED	
C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H](c2cccc(C(F)(F)F)c2)O1	553718256	XCTFCMBJAIQUMW-PLMTUMEDSA-N	416.443	5.081	30	20	HKED	
C[C@H](N[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccc(C#N)cc1	558742404	NHLYNSHFUKSDKP-ROUUACIJSA-N	414.940	6.021	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1	561793449	HQQVASPBQNRXSD-UHFFFAOYSA-N	401.466	5.031	30	20	HKED	
COc1cc(CNC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)ccc1C#N	562253376	WCMPUNXACQOBKJ-QGZVFWFLSA-N	405.523	5.101	30	20	HKED	
CC(C)(CCC#N)CNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1	579632136	MRKBFQUKMYJYLP-UHFFFAOYSA-N	424.397	5.841	30	20	HKED	
C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1F	584247145	CKYWBMZCJIJEQU-SPLOXXLWSA-N	406.423	5.535	30	20	HKED	
CCN(C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)[C@H](C)c1ccc(C#N)cc1	603618765	JMBFMLAFBJOPJN-LJQANCHMSA-N	412.537	5.371	30	20	HKED	
Cc1cccc2sc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c(Cl)c12	603668135	TWNGFQJGUAFRGI-UHFFFAOYSA-N	409.942	5.087	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cn2)cc1	603763803	GWTBZDFUQQKOLF-UHFFFAOYSA-N	421.460	5.061	30	20	HKED	
CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H]1CCCc2ccccc21	603831476	JNXLISNTPVFOKF-XMMPIXPASA-N	424.504	5.352	30	20	HKED	
CCc1cc(C#N)c(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)s1	604029976	NYROXYLFJVZENM-UHFFFAOYSA-N	401.944	5.064	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ccccc1OC(F)(F)F	608935988	MOOKZNRXANEWGL-UHFFFAOYSA-N	414.383	5.216	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(CC(C)C)nc1C	609020096	CDOBQGIHJYZBAK-UHFFFAOYSA-N	406.511	5.270	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1	609042580	FZLQWUUWFPNOOF-UHFFFAOYSA-N	406.442	5.087	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N(C)c2ccc(C#N)cc2F)cc1OCC	609217624	LXBICOQSQYRWKC-UHFFFAOYSA-N	404.869	5.205	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccccc2Br)oc2c1ccc1ccccc12	609590153	DGHHWIJEJZFDER-LJQANCHMSA-N	419.278	5.652	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)cc1	610093789	RZWAGCPMZZFMQO-UHFFFAOYSA-N	403.869	5.594	30	20	HKED	
Cc1cc(F)cc2c(N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(C#N)cnc12	610275744	UTLNRGZAMAKMTJ-TXEJJXNPSA-N	405.317	5.121	30	20	HKED	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	610338141	XYHNKZXGRZOYGI-IBGZPJMESA-N	405.542	5.007	30	20	HKED	
CSCc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F	610436156	MRAMUPDBSZWVQP-RYUDHWBXSA-N	417.390	5.328	30	20	HKED	
COC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	611142871	YMZUQDHPSULFSG-NRFANRHFSA-N	414.914	5.037	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2o1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346966	TZKDUTPFHKHMCO-CQSZACIVSA-N	413.285	6.353	30	20	HKED	
N#CCc1cccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1	613394291	RFGSPNXNTNAQLB-BSFBHTCNSA-N	401.535	5.167	30	20	HKED	
C[C@@H](NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1	613791646	XNRWSAAXKAMAQS-AUUYWEPGSA-N	419.472	5.138	30	20	HKED	
C=CCOc1cccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	619321929	FPJFBVMJINYFJO-IMRBUKKESA-N	410.358	5.282	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccco1	670476965	SPYSZEVMCVEJLC-MRXNPFEDSA-N	410.543	5.275	30	20	HKED	
C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1	675739801	ZZZUGYXBLHMDBY-XEZLXBQYSA-N	405.329	5.848	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	678322368	HTTODKXWMJOTEC-IBGZPJMESA-N	411.530	5.816	30	20	HKED	
CC(F)(F)CCC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	681106942	QUJRGGSXNMPWJL-ZDUSSCGKSA-N	419.312	5.060	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(CC2CCCCC2)C2CC2)c1=S	725772105	OALAUUPBVISUMT-UHFFFAOYSA-N	412.603	5.278	30	20	HKED	
COc1ccc(OC)c(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	726461820	YQFVBGILSRIOMC-HXUWFJFHSA-N	403.507	5.168	30	20	HKED	
Cc1cc(C(=O)OCC(=O)Nc2sccc2C#N)sc1-c1cccc(Cl)c1	726655436	QEZIFOBFEZNATK-UHFFFAOYSA-N	416.911	5.106	30	20	HKED	
Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c(C)n1-c1cccc(C(C)C)c1	726958104	QUXLKQXVBOHTQB-UHFFFAOYSA-N	416.525	5.547	30	20	HKED	
C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	728593435	QUSLDBWPDBYSHI-FQEVSTJZSA-N	417.528	5.605	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3C(F)(F)F)n2)cc1	729892922	QWQIVWWZOZQOQZ-INIZCTEOSA-N	416.424	5.256	30	20	HKED	
N#CCOc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1	731157976	NRAORKMVWJYOTE-UHFFFAOYSA-N	422.293	5.150	30	20	HKED	
C[C@H](C#N)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1	731302265	ZJVHMXVJFRNRQQ-JLCFBVMHSA-N	421.859	5.541	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(N2CCCCC2)cc1	731399924	JAFMAHKQRIOGRC-IBGZPJMESA-N	422.598	5.435	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1cscn1	731435621	XCLZJPSVZYESLG-NRFANRHFSA-N	421.497	5.170	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2Nc2ccccc2)ccc1OC	733276224	FHZJJPVRWTUBSS-HXUWFJFHSA-N	415.493	5.050	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)c1	733849261	YUBCHIAWXUHXKQ-XXBNENTESA-N	419.525	5.619	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cc1)c1ccncc1	734678161	FDCZCISSDUJCOK-OALUTQOASA-N	400.320	5.008	30	20	HKED	
Cc1ccccc1[C@@H](C)CC(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N	734909234	SSWDIXFJASOJMR-ZWKOTPCHSA-N	410.539	5.065	30	20	HKED	
C=CCCSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	739430886	GVUVZOOMLXGCRG-VBKFSLOCSA-N	404.944	5.463	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C	739437857	UUKKQNPBGYKBGV-GOSISDBHSA-N	423.520	5.036	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(Cl)c1	740776800	AFICGKZNVJAYHX-UHFFFAOYSA-N	406.269	5.464	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1	743450090	XBGPQVWPZRPLJH-SBCUQWKCSA-N	414.436	5.369	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C1CCC(c2ccccc2)CC1	744028552	JTFSUKNZTUDGQT-XPPIMPSXSA-N	402.538	5.433	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744075761	WBYCMADOAGZJFZ-ZFWWWQNUSA-N	414.452	5.673	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)sc2c1	744958561	ALGKZQUVYSEOQW-UHFFFAOYSA-N	409.854	5.142	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(OC)c3ccccc23)cc1OCCCC#N	747361430	MLRYHECMOFYWPF-XFXZXTDPSA-N	401.462	5.436	30	20	HKED	
N#Cc1ccc(C(=O)COC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1	748262161	REMNQDFHGZPGMZ-UHFFFAOYSA-N	417.273	5.028	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Cl)s1	750695562	ZKPVEOYRWVNMPW-VHSXEESVSA-N	408.882	5.783	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SC)c(OC)c2)ccc1OCC(F)(F)F	750908352	FUFZUPKOEVOGIP-DAXSKMNVSA-N	412.429	5.263	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2c(Cl)cccc2Cl)cc1C#N	752299476	OKFXJPYYKMMMIO-UHFFFAOYSA-N	421.284	5.097	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CCCCOc1cccc(C#N)c1	754220219	JFDWQLLLAVHAGD-UHFFFAOYSA-N	423.513	5.402	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2\Cc3c(Cl)cc(Br)cc3C2=O)cc1	759089650	IBTLTWRJZXUBNA-XXLSNGBASA-N	402.675	5.216	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Oc2ccc(-c3nnco3)cc2)cc1Cl	761219891	JRZUOYQITWTVAM-UHFFFAOYSA-N	417.808	5.273	30	20	HKED	
Cc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@@H](O)c1ccc(C#N)cc1	763233613	YTZQHEAZALIKGT-RUZDIDTESA-N	422.484	5.385	30	20	HKED	
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C12CCC2	764057055	YNMFLXJMWPBHTJ-DNVJHFABSA-N	403.526	5.153	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1	764758112	GNWGRYXCFBKOFC-GJZGRUSLSA-N	400.425	5.597	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1=S	765032037	BVAVXCNTUGABAW-SIKLNZKXSA-N	419.598	5.135	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)o1	767332886	SAHKBLFQOCVLMQ-FQEVSTJZSA-N	421.522	5.073	30	20	HKED	
CCN(CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	772638949	GIHPMDOEWPBMFD-OAHLLOKOSA-N	403.429	5.018	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1	774073914	ZDDJLHOJHAHCJG-AWEZNQCLSA-N	417.303	5.315	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](c1cc(F)cc(Br)c1)C1CC1	775874356	BSRAQRJSZKCXHF-LJQANCHMSA-N	423.713	5.385	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)cc2)CC1	776837350	ORCZGOQJOFYRKE-MRXNPFEDSA-N	417.361	5.780	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1	778607166	SFTUWAHMNGAGRR-LBPRGKRZSA-N	419.161	5.112	30	20	HKED	
N#CC1(COC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CCOCC1	780547883	SJWHVXDDQWSIQR-UHFFFAOYSA-N	404.702	5.339	30	20	HKED	
Cc1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C	781308679	DAMBIVYUEDFORM-ZDUSSCGKSA-N	416.930	5.004	30	20	HKED	
C[C@@]1(C#N)CCCN(Cn2nc(-c3ccccc3Cl)n(C3CCCC3)c2=S)C1	784012322	ICKJRLBJXKDOEK-NRFANRHFSA-N	415.994	5.433	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCSCC2)cc1	789450336	ODPAIDVOSAWOQU-UHFFFAOYSA-N	409.599	5.413	30	20	HKED	
N#C[C@@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1nccc2ccccc12	792103376	ROWJFGTWMYENHI-NRFANRHFSA-N	408.505	5.509	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)C12CC(C(F)(F)F)(C1)C2	792828134	UUCUTFHBMQJECF-UHFFFAOYSA-N	421.259	5.318	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc2ccccc2s1	796628590	KSQCZPKTDBYPQI-RRFJBIMHSA-N	402.397	5.175	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccccc1	817319593	PUUFDVHPYNWCGH-RUZDIDTESA-N	412.489	5.243	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1Cl	817879337	HVRNJIBKABBYKO-NSHDSACASA-N	400.853	5.523	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2cccc(C(F)(F)F)c2)no1	904312689	YZQJHFFIAASVBS-OAHLLOKOSA-N	424.423	5.405	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC	915087257	REEMGBBDCWJIOC-HSZRJFAPSA-N	414.505	5.782	30	20	HKED	
CC1CCN(C(=S)SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	915179173	AXMVVIAXUAJNND-OAQYLSRUSA-N	423.607	5.031	30	20	HKED	
CC(=NNc1nc2ccccc2s1)c1ccc(OCC(=O)Nc2ccccc2)cc1	916246381	GCQGQTHLVIUBED-UHFFFAOYSA-N	416.506	5.150	30	20	HKED	
Cc1ccc(C)c(OCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917044241	RSCHPANGSYUYAV-HNNXBMFYSA-N	418.440	5.577	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNCc2ccccc2Cl)cs1	918152626	IXLCJLZUPNDJJO-UHFFFAOYSA-N	419.337	5.258	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	920102118	PKPVCVYWFKPXEQ-GOSISDBHSA-N	417.465	5.029	30	20	HKED	
Cc1cccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)C[C@@H](C)C#N)c2=S)c1	921031034	WHGNNLDGNJVAMC-INIZCTEOSA-N	411.962	5.081	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CC1(C2CC2)CC1	1360750847	QUJIBTPVUUJMOD-HZPDHXFCSA-N	413.953	5.000	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1	1785840999	WMOMTIOESJECIX-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5c(C)cccc5[nH]4)cc3)CCC2)C1	1789270541	RAGDGWIRJMVUBI-UHFFFAOYSA-N	413.521	5.190	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1	1791247901	LWNAOZXUUAFYAM-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=CCN(C(=O)c1cc(C2CC2)nc2onc(C)c12)c1nc(-c2ccccc2)cs1	14262371	XZJULHZRMSOEBK-UHFFFAOYSA-N	416.506	5.365	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)n1	21514960	YYKYECMBEACNEU-ZDUSSCGKSA-N	415.440	5.553	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1-c1cccc(C)c1	26191770	YJGDFIFJOUKXTR-UHFFFAOYSA-N	402.523	5.695	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(C(F)(F)F)cn1	41552118	BPMVVWBWBKMXQD-SFHVURJKSA-N	415.415	5.109	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(COC(C)C)cc1	47974621	SQDNOPOZKZFHAE-UHFFFAOYSA-N	401.466	5.231	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1	59327639	QWGIXGFJHAKTJQ-UHFFFAOYSA-N	410.296	5.119	30	20	HKED	
Cc1nnc(SCc2c(C(=O)N(C)c3cccc(C#N)c3)oc3ccccc23)s1	60302051	VHHPNXNNJNZYFZ-UHFFFAOYSA-N	420.519	5.033	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1Sc1ccccc1C#N	62904134	PBJQAQJDFPGKAF-UHFFFAOYSA-N	409.514	5.410	30	20	HKED	
COc1cc(/C=C/C(=O)c2cnn(C)c2)ccc1OCc1ccc(Cl)cc1Cl	72039197	UQPATJUTOZNAOB-XVNBXDOJSA-N	417.292	5.211	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc(CC#N)cc1	109759731	VFSKNQCNYMYHEP-UHFFFAOYSA-N	401.466	5.505	30	20	HKED	
COc1cc(F)c([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC	237250467	STKRRSFIWQNJIB-KRWDZBQOSA-N	420.484	5.144	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc2)c1	303881507	QZWFWMGGUUJQDD-UHFFFAOYSA-N	415.474	5.035	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCc2ccccc2)cc1	410390572	RKFHGWJQLVWVPK-UHFFFAOYSA-N	413.521	5.259	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	426000083	AZCKUBPERVJWDJ-UHFFFAOYSA-N	404.401	5.092	30	20	HKED	
N#Cc1cscc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	432403753	SEXXFVVYMJOEJU-UHFFFAOYSA-N	421.909	5.005	30	20	HKED	
C=CCn1c(S[C@H](Cc2c(F)cccc2F)C(C)=O)nnc1-c1ccccc1C	436213979	ZOESQIBUNWEVNO-HXUWFJFHSA-N	413.493	5.010	30	20	HKED	
C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438644823	CNZAONKBENFPSD-CQSZACIVSA-N	407.470	5.702	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1Cl	439301482	HCCMCOIOLLTXBT-NNMXDRDESA-N	423.944	5.276	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@@H](C)SCc1ccc(C#N)cc1OC(F)F	439540787	JCNKOTOCYVRHKP-CQSZACIVSA-N	404.482	5.543	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1	441694474	YRDXATRSENDODI-OAHLLOKOSA-N	405.420	5.138	30	20	HKED	
Cc1cc(Br)c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1Cl	447532539	UPAFNNCCXRWWBK-UHFFFAOYSA-N	416.662	5.190	30	20	HKED	
N#C[C@@H]1N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCC[C@@]12CCCCO2	447910396	FMHOBXAMXUJNPT-ICSRJNTNSA-N	421.488	5.256	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	460154321	JBUFWWFSLRIMLI-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC=C(c2c(C)[nH]c3ccccc23)CC1	460956183	DOQBLMOTQCZGPK-GAJHUEQPSA-N	417.557	5.035	30	20	HKED	
COc1cccc(F)c1[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	461249682	AQSQVVOVTPAPFC-MRXNPFEDSA-N	420.509	5.489	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	463275245	JTBITMYSYMWSMV-KRWDZBQOSA-N	415.468	5.157	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1	464228433	CJCXTYPQRSOHJB-ZHRRBRCNSA-N	404.441	5.093	30	20	HKED	
C[C@H](NC(=O)N1Cc2ccc(O)cc2C2(CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1	464325399	SBCLHIGOKAXIKL-SFHVURJKSA-N	423.516	5.249	30	20	HKED	
N#C[C@@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1c(Cl)cccc1Cl	464399035	QJAAWIJVOHIKEB-GFCCVEGCSA-N	409.141	5.285	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1)C(F)(F)F	464475601	NXNCWKYJEXHEQH-CQSZACIVSA-N	400.322	5.430	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2ccc(Br)cc2n1	474444823	JKGAOUQOZLAWSK-OAHLLOKOSA-N	414.328	5.376	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	475546165	GPIZKWPWQSRGGB-FQEVSTJZSA-N	405.586	5.886	30	20	HKED	
COCC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(C)o1	477533461	QSTJSOQTNIZLFR-OAQYLSRUSA-N	405.454	5.151	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC1CCC1)c1ccccc1	477938538	KPHUDKQKCIYGDM-LAUBAEHRSA-N	421.566	5.067	30	20	HKED	
Cc1ccc2c(N3C[C@@H](C)C[C@@H]3c3cccnc3)c(C#N)cnc2c1Br	480113251	BWNQTOBUMOVRFW-SCLBCKFNSA-N	407.315	5.160	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	482880414	PGBBDSRQUSDZFB-UHFFFAOYSA-N	402.623	5.227	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4)o3)n2)cc1	484554917	IRIXCYKITFVBNI-SFHVURJKSA-N	411.442	5.557	30	20	HKED	
N#CCCN(C(=O)c1cc(Oc2ccccc2)ccn1)C12CC3CC(CC(C3)C1)C2	486584328	FZYDANCQMYQYSH-UHFFFAOYSA-N	401.510	5.199	30	20	HKED	
C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCC1=O	487238039	VLJFUKRMMQLHRW-UONOGXRCSA-N	416.399	5.313	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc2ccccc2n1C(F)F	492083114	SPZZENLXRISYCH-LLVKDONJSA-N	400.435	5.106	30	20	HKED	
CCc1cccnc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	500467090	VCRUIHSBDFAZGR-CQSZACIVSA-N	402.306	5.564	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)Cc3csc(-c4cccs4)n3)n2)c1	502386551	GLXOTHJOEUJTBY-UHFFFAOYSA-N	408.533	5.048	30	20	HKED	
COC(=O)c1ccc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1	505844991	JHQDVRMCHXZIRS-OAHLLOKOSA-N	409.301	5.024	30	20	HKED	
C=CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1	506638935	WVMZIKXHCGIAKN-KRWDZBQOSA-N	417.336	5.065	30	20	HKED	
COc1ccc([C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cc1	513683204	HWQATXWCLSIJAL-SANMLTNESA-N	415.512	5.054	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2c(C)noc2n1	514490077	KIFVRIKIFLRXHU-ZDUSSCGKSA-N	408.527	5.176	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1	515436227	KFEUZNJLAJTDRV-UHFFFAOYSA-N	420.774	5.655	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1	517467163	NWSXYJBEGGEAOF-PXNSSMCTSA-N	423.582	5.171	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1	519450408	FDGHVSYTXUNBIG-CQSZACIVSA-N	418.360	5.365	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCC2(CCOCC2)C1	519713793	NSTXQLUYHFYROU-NRFANRHFSA-N	424.589	5.008	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C	520049551	WUQQONUHHAGXCX-GOSISDBHSA-N	411.571	5.291	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1c(F)cccc1Cl	524440083	XVICDQZFZONMPH-UHFFFAOYSA-N	423.875	5.560	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(Cl)c1	525137041	ILNLIILVVXKTOM-GFCCVEGCSA-N	412.864	6.107	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccc(C#N)c(C#N)c3)cc12	525660854	ULKMVAXINQHRPL-UHFFFAOYSA-N	417.881	5.044	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccc(Cl)c1	532473173	HKUCBUVFZMJSLD-OXJNMPFZSA-N	413.974	5.367	30	20	HKED	
N#Cc1ccc(CCC(=O)N(c2ccccc2)c2ncccc2Br)cc1	534386326	XFKHNHLVXMAXEN-UHFFFAOYSA-N	406.283	5.013	30	20	HKED	
C=C(C)COc1cc(CNc2cccc3c2CN(c2nccs2)C3)ccc1OC	534643784	KJXPYZSQXKZVEC-UHFFFAOYSA-N	407.539	5.239	30	20	HKED	
Cc1cccc(C)c1OC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1	539325009	LEVZQZKIVZCMEB-HSZRJFAPSA-N	424.504	5.135	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1	539335254	ARNADUUROPPRIJ-SFHVURJKSA-N	403.551	5.316	30	20	HKED	
COCc1c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)oc2ccccc12	541071045	QDDULMSZWLMFQW-KRWDZBQOSA-N	410.473	5.609	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)s1	544749769	FWXDSCCYSPUBHD-LLVKDONJSA-N	422.316	5.882	30	20	HKED	
CC(C)c1ccc([C@@H](C)CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1	552690539	XQGDHQJZJUGWLS-SFHVURJKSA-N	408.517	5.384	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1OCCc2sccc21	553858379	YPABWRZYEAQESJ-QRQCRPRQSA-N	420.559	5.203	30	20	HKED	
CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1ccc(C)cc1)c1cccnc1	556061778	SYLMYNSZXWMRLA-RUZDIDTESA-N	422.488	5.168	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)Cc1c(F)cccc1C#N	556946077	KVIVDYPCRUEZKA-UHFFFAOYSA-N	406.482	5.179	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1	557728205	QQDWQVZMLHSBSA-KRWDZBQOSA-N	416.550	5.883	30	20	HKED	
N#CCCC[C@H](NCc1ncc(-c2cccc(Br)c2)[nH]1)c1ccccc1	560563581	ATVILTMCXHHSGP-IBGZPJMESA-N	409.331	5.364	30	20	HKED	
CC(C)CNC(=O)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1Cl	568458184	VUELJFZSWHLDOK-UHFFFAOYSA-N	409.839	5.228	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccc2ccccc2c1	603739119	RWORPMFYEJQOPG-UHFFFAOYSA-N	423.472	5.615	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)oc2ccc(Cl)cc12	603765261	SDTWMUWHCYDMKP-UHFFFAOYSA-N	403.825	5.706	30	20	HKED	
C[C@@H](SCC(=O)Nc1sc(-c2ccccc2)cc1C#N)c1nc2ccccc2[nH]1	603969394	PVJISKUQCWKHIX-CQSZACIVSA-N	418.547	5.596	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	604547375	SXFDNZGUWQLORA-UHFFFAOYSA-N	412.405	5.301	30	20	HKED	
CSCc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	608996522	NSSHQXRNERESGM-UHFFFAOYSA-N	419.525	5.795	30	20	HKED	
N#Cc1cccc(CNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)c1	609297322	GZUDNOYAGNWAAV-NRFANRHFSA-N	410.901	5.501	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	609969422	PYCFMRXMQCKJMK-HNNXBMFYSA-N	406.404	5.007	30	20	HKED	
C[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1	610224469	MJSXVKOYAACQDJ-KRWDZBQOSA-N	404.897	5.727	30	20	HKED	
N#Cc1cc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c2ccccc2n1	610277325	RSYWMMSPBIAHBV-FQEVSTJZSA-N	402.256	5.130	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	617504115	LUMOHUWSYPOILJ-SNVBAGLBSA-N	400.372	5.488	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	621010719	IHVTUPVZXQYKBH-HOTGVXAUSA-N	422.413	5.336	30	20	HKED	
COc1ccc(N(Cc2ccccc2O)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726443140	GTOJNSDKQMHJEY-UHFFFAOYSA-N	423.925	5.329	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](OC3CCCC3)c3ccccc3)n2)cc1	727039780	ZGTUXPNJAUTOSY-URXFXBBRSA-N	416.546	5.995	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1Cl	727629280	QIIHFAPPYBJLQF-KUGGDMIFSA-N	423.925	5.209	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=S)Nc1ccccc1C#N	727979021	TYDOPSBQFQRNBM-UHFFFAOYSA-N	407.926	5.908	30	20	HKED	
CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728467150	FKPIFDZXWQDVMO-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1	729573732	HUWNFJCQWAOOBJ-UHFFFAOYSA-N	411.502	5.262	30	20	HKED	
CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc1OC	730579319	HRUSGSOHPDVBQE-WDZFZDKYSA-N	413.901	5.160	30	20	HKED	
Cc1ccc(CN(C(=O)Cc2ccc(OCC#N)cc2)[C@H]2CCc3ccccc32)cc1	731975311	DUZOJBZIUMLXMZ-SANMLTNESA-N	410.517	5.156	30	20	HKED	
CCc1ccc([C@H](NC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)C(C)C)cc1	733639135	BPTOFCMPULRYNP-XUZZJYLKSA-N	423.557	5.135	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Oc3ccccc3)cc2)c1	733801817	YWNZAHVYOCLNER-OAQYLSRUSA-N	415.493	5.159	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1	734738639	KYWHEDWSEOEPIF-GJZGRUSLSA-N	410.470	5.201	30	20	HKED	
Cc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	734965515	MAZLJULHJZSGFW-CZUORRHYSA-N	402.441	5.994	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(F)c1	734965681	NDQOWCUDBPQNCQ-IUODEOHRSA-N	400.425	5.597	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2)cs1	734965882	OYHKSOQORMBCKV-QLFBSQMISA-N	414.864	5.722	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCC[C@@H]1c1cccc(Br)c1	735308201	FIBKGIKCSCJIFB-GOSISDBHSA-N	405.723	5.342	30	20	HKED	
CC[C@@H](Sc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1)c1ccc(F)cc1F	737398935	YGRUVCYCMKFFAP-GOSISDBHSA-N	413.449	5.251	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)cs1	742537640	MYHDDAKPEHZFRA-QHCPKHFHSA-N	409.514	6.026	30	20	HKED	
CS[C@@H]1CC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1	743139325	IZCFPYGNEMPYQG-SJLPKXTDSA-N	415.946	5.196	30	20	HKED	
C[C@H](NC(=O)C(C)(C)Sc1ccc(Br)cc1)c1cccc(C#N)c1	743776696	FEWKYWDZAOEWIA-ZDUSSCGKSA-N	403.345	5.069	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c[nH]c2c1	745947558	DKIYJMWYUDLXOB-GOSISDBHSA-N	414.292	5.063	30	20	HKED	
CC[C@@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	749026463	WSRFPLNWYZVVTA-MLGOLLRUSA-N	403.816	5.119	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Cl)ccc1Br)c1nc2ccccc2o1	751151683	JWIFTRBYVVNRLN-ZDUSSCGKSA-N	403.663	5.053	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)cc1C#N	752797194	QQYZXWQPAAXECS-HOTGVXAUSA-N	408.502	5.079	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)c2)cc1	754395547	NWTFVYOAYUZWCE-FGZHOGPDSA-N	417.534	5.092	30	20	HKED	
COc1cc(Cl)c(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)cc1Cl	758024421	DVLAGPBUOLMULV-IHWYPQMZSA-N	400.308	5.004	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccncc1	758780993	VSRGIFLPZVAALN-FGZHOGPDSA-N	409.892	5.580	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCn1ccc2cc(Cl)ccc21	759206999	PRLMGXCAWMOIEO-FQEVSTJZSA-N	421.928	5.157	30	20	HKED	
Cc1nc2sccn2c1C=NO[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760446271	KMDCTCPBSIMJRW-JTQLQIEISA-N	422.297	5.173	30	20	HKED	
CC[C@@H](C)[C@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1	763759522	XQJRLMRVEFXPTF-KOSHJBKYSA-N	402.494	5.111	30	20	HKED	
C=CC[C@H](N[C@@H](C)c1ccc(Br)cc1Br)c1ccncc1	766022050	VVDIPEZWEZZYPO-SJCJKPOMSA-N	410.153	5.575	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1	767883566	MUXIWZQRBWYLPD-ROUUACIJSA-N	419.550	5.679	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc2c1OCO2)c1nc(-c2ccc(Cl)cc2)cs1	770846466	JQOOJUBCWGZTLW-INIZCTEOSA-N	410.882	5.001	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(F)c(Cl)cc2Cl)ccc1OC	772978031	DIBYTXORIBAMOV-OCCSQVGLSA-N	411.304	5.673	30	20	HKED	
CCc1ccc(N(C(=O)Cc2ccccc2CC#N)c2nc3ccccc3s2)cc1	776738382	AANRKLKZBWORNC-UHFFFAOYSA-N	411.530	5.832	30	20	HKED	
CCOc1ccc(NCc2ccc(OC)c(OCCCC#N)c2)cc1Br	778193078	OCTIDXABOCCJPA-UHFFFAOYSA-N	419.319	5.151	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Cn1c(C2CCCCC2)nc2ccccc21	780179004	XDHHPRWEUAHQJW-KRWDZBQOSA-N	402.498	5.014	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CN1CCC(C)(C#N)CC1	780782246	NXZRRSSHUKVPGY-UHFFFAOYSA-N	411.764	5.326	30	20	HKED	
O=C(OCc1ncccc1C(F)(F)F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	781546056	LDIRCMVHDLMHQL-UHFFFAOYSA-N	407.285	5.033	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1	792094621	OYNUKCKCGUIKMM-DYESRHJHSA-N	421.541	5.084	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nccc3ccccc23)c1C	792096429	PFPVORLWMMSZMW-FQEVSTJZSA-N	412.518	5.006	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nccc2ccccc12	792100468	DYJSPCZPIFVHBM-JOCHJYFZSA-N	407.473	5.473	30	20	HKED	
Cc1c(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)sc2ccc(C#N)cc12	794217043	BSIMKNQSQJMPEG-UHFFFAOYSA-N	409.898	5.114	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2c[nH]c3cccc(Br)c23)s1	797568420	RLVWWCNGBCHAJN-LBPRGKRZSA-N	416.344	5.103	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)OCc2cc(C#N)ccc2Br)cc1	801908272	QZTKIIDOYMEHCP-CQSZACIVSA-N	414.299	5.006	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3Cc4cccc(Cl)c4C3)c2)cc1	806213206	NGBUAELLMCYARZ-UHFFFAOYSA-N	417.896	5.533	30	20	HKED	
O=C1/C(=C\c2csc(COc3ccc(Cl)cc3)n2)Cc2c1ccc(O)c2F	806575340	YJILFWNXQISRSX-XFFZJAGNSA-N	401.846	5.043	30	20	HKED	
C=CCn1c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nnc1-c1ccncc1	809949460	NJTSPWHANUWJHT-UHFFFAOYSA-N	422.297	5.033	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCn3c(cc4ccccc43)C2)cc1	812920695	ZNNZHQIPSHQTCM-DEOSSOPVSA-N	406.489	5.344	30	20	HKED	
Cc1cc(C)cc([C@@H](OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C(F)(F)F)c1	815999025	MRPRTIAFGYDLGO-OAHLLOKOSA-N	402.294	5.049	30	20	HKED	
CCCCCCCCCC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1	900086235	WRZYCDAXEDNKMQ-KRWDZBQOSA-N	424.511	5.595	30	20	HKED	
CN(c1ccccc1)c1ccc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc1[N+](=O)[O-]	916151743	AONMTRHQVARHSU-ZSOIEALJSA-N	413.433	5.161	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2c2ccsc2)c1=S	917454919	MIZXEKXOUFQZES-GOSISDBHSA-N	400.548	5.262	30	20	HKED	
CCCCC[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	918239684	QLFCCVWADSJHDA-JXFKEZNVSA-N	411.933	5.019	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1	919773273	AFHVXGWCDICDPX-GOTSBHOMSA-N	415.468	5.517	30	20	HKED	
CCc1nc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	920109848	IDOUAHRNPWPBQL-CYBMUJFWSA-N	422.362	5.555	30	20	HKED	
O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)c1cccc(Cl)c1	921006759	HNMHIXLJZOMXED-NXEZZACHSA-N	409.704	5.021	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccccc2C(F)(F)F)c(Br)cc1O	921261571	RGTNNVRDPFLZMW-SREVYHEPSA-N	401.178	5.078	30	20	HKED	
O/C(CN[C@@H](c1ccccc1)c1ccccn1)=N\c1nc(-c2ccc(F)cc2)cs1	29119685	KFCKNVBWSFLQLF-QFIPXVFZSA-N	418.497	5.311	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCC(=O)c3ccc(F)cc3)c2)cc1	53997441	GGDIELDQIUDSSA-UHFFFAOYSA-N	416.452	5.072	30	20	HKED	
C=CCN(C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(-c2ccccc2)cs1	63265291	TWQAZCRYFLPBDX-UHFFFAOYSA-N	413.502	5.830	30	20	HKED	
Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc1SCC#N	107900634	RTOOHOJKCNKLHQ-UHFFFAOYSA-N	416.531	5.535	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1	303366042	INPLPZODTIQLRB-UHFFFAOYSA-N	412.580	5.514	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1cccc(OC)c1	303416377	WPCCLBNRTVRAIA-ZWKOTPCHSA-N	411.571	5.111	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c(F)c2)cc1	303726791	XVMPSHIGARHYKX-UHFFFAOYSA-N	419.340	5.758	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(OCCCC#N)c1)c1ccc(Br)cc1	431440650	KPFXOSUCQZJMLM-OAHLLOKOSA-N	401.304	5.264	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-c4cc[nH]n4)s3)c2)cc1	431496370	RYQDFVFBQRQQFT-UHFFFAOYSA-N	414.490	5.036	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1cc(C#N)cn1C(C)(C)C	433838918	MWAOMQQONVWETM-UHFFFAOYSA-N	401.514	5.231	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)c1	435044624	GNMSPAMZKMJKOP-UHFFFAOYSA-N	415.880	5.134	30	20	HKED	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	435592159	GKWRTPCSMPWQNV-JOCHJYFZSA-N	415.493	5.156	30	20	HKED	
N#CCCn1cc(CN[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c(-c2ccccc2)n1	435777023	HJFQRBHKWHDILU-XYWHTSSQSA-N	424.470	5.518	30	20	HKED	
CN(C(=O)c1ccc(Br)c(Cl)c1F)c1cc(Cl)ccc1C#N	435817208	KOURTDQJKZNWPW-UHFFFAOYSA-N	402.050	5.043	30	20	HKED	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	437541605	XMXCNDNKDCHNOW-BTYIYWSLSA-N	420.513	5.360	30	20	HKED	
CCN(Cc1ccccn1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	438627225	LVVOVOYXFZJDCT-NRFANRHFSA-N	404.901	5.444	30	20	HKED	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	439204844	ZLPFBGIBEHGQHL-LJQANCHMSA-N	405.542	5.007	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1	439260557	QOQQUFGTGATPRE-LBPRGKRZSA-N	414.437	5.178	30	20	HKED	
CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	439649302	OYERARRXDPJXTO-UHFFFAOYSA-N	423.476	5.442	30	20	HKED	
C=CCC[C@H](NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1ccc(C(F)(F)F)cc1	440858627	LKNIFGSLAGCBRG-NXEWRWPSSA-N	409.496	5.027	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C	441621789	JKIFHXAIQMMHDR-UHFFFAOYSA-N	408.976	5.055	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(OCC)cc3)n2)nnc1-c1ccco1	448046169	XEEUNZJIUTXWNJ-UHFFFAOYSA-N	408.483	5.070	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C	460580945	ZCQPITBEZACTBN-SCLBCKFNSA-N	407.345	5.136	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@H](C)c2cccc(C#N)c2)c1	462596972	XJLWQSRASMPIIB-JSRBVGTNSA-N	410.517	5.428	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@@H](C)c2cccc(C#N)c2)c1	462596973	XJLWQSRASMPIIB-RRWZXMNXSA-N	410.517	5.428	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1	463820842	YWJSFZCXNGFIEY-UZUQRXQVSA-N	403.913	5.348	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Nc1ccccc1SC[C@@H](C)C#N	463967967	XAETYSVHDUEWPK-FUHWJXTLSA-N	409.555	5.189	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1	468366645	CYGPGLNKRRKHKL-OAQYLSRUSA-N	424.909	5.279	30	20	HKED	
C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](c2ccsc2)O1	470754157	HIMKVRCLEFQXEE-HRAATJIYSA-N	420.559	5.373	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1cnc2ccccc2c1	470808492	PULNWVGNDFXFEH-UHFFFAOYSA-N	408.461	5.174	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(COC(C)(C)C)on1	471743502	FTCHORQMQNWANO-UHFFFAOYSA-N	405.454	5.214	30	20	HKED	
Cc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cccc1C(F)(F)F	471863070	UJEVDYOORVEBGN-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(-c3ccc(Cl)cc3)n2C)n1	472207439	PDUPNMMWBPVLKL-UHFFFAOYSA-N	423.851	5.022	30	20	HKED	
CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1F	474151396	FYNXEIAZXQTVJS-HNNXBMFYSA-N	414.502	5.220	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc(Cl)c1OCC(C)C	474437545	GUMFMQCIRFUWHJ-CQSZACIVSA-N	406.935	5.453	30	20	HKED	
N#CCC[C@H](C#N)CSc1nnc(-c2ccccc2F)n1-c1ccc(Cl)cc1	480382746	IZUKXFUJQRFNPM-CQSZACIVSA-N	411.893	5.262	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(F)c(F)c1	480660528	PKEUOGIWDOWKBT-MRXNPFEDSA-N	420.366	5.391	30	20	HKED	
C=CCC[C@@H](NCC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1	480892740	ZFUCFUFJWQTIRT-HXUWFJFHSA-N	410.524	5.587	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C	482517817	CCGWZCHNPRBMQM-GOSISDBHSA-N	416.496	5.741	30	20	HKED	
Cc1ccc(Cl)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1C	483451532	YRNKMSAGCRKWMZ-UHFFFAOYSA-N	401.869	5.043	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)sc2c1CCCCC2	483764608	YDXGVSVQHLQNLI-UHFFFAOYSA-N	415.518	5.393	30	20	HKED	
CC(=O)c1cc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F	486788018	QTLQHAFVKJSYPH-HNNXBMFYSA-N	422.300	5.472	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1	486925281	DZTVJNNSCRPDIS-UHFFFAOYSA-N	424.547	5.018	30	20	HKED	
COc1ccccc1SCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	488432258	DVMZSFCATQJKCL-UHFFFAOYSA-N	420.509	5.340	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1cc(Cl)ccc1Cl	488812434	ZEAKQYAYVBMRMB-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3CCCc3ccccc3)cc2)nc1	489302585	VBAMAMDFEMKRPP-QHCPKHFHSA-N	411.505	5.373	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1	500036468	IZJMDRJDMMGBRK-RPTUDFQQSA-N	403.507	5.064	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc(C(F)(F)F)c1	502086465	IPILEZDNVNZJEV-UHFFFAOYSA-N	409.301	5.375	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1Cl	504290999	XBUPVYVQYGNUFU-TZIWHRDSSA-N	405.885	5.788	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1	505039437	OTPNIYWZUMESSB-UHFFFAOYSA-N	406.505	5.431	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1	505822087	VBWKITDGMZLXEC-FQEVSTJZSA-N	409.505	5.102	30	20	HKED	
Cc1noc(C)c1CSCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	510588930	RPGYHBIASYOTLB-CQSZACIVSA-N	417.600	5.248	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1	511631490	WHVZPGYKYJTZAM-UHFFFAOYSA-N	402.325	5.991	30	20	HKED	
CCCN(Cc1ccc(C)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	515103265	ZLGKWOLHBSDIBR-UHFFFAOYSA-N	404.539	5.358	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)ccc1Cl	519515746	UJUFHQSWEGXXJX-NSHDSACASA-N	409.736	5.749	30	20	HKED	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	520100209	LBPVJLTZTIEGKW-INIZCTEOSA-N	422.431	5.016	30	20	HKED	
Cc1nc(COc2cccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)c2)cs1	521292733	ZBAYBKFRKCLNDI-QFIPXVFZSA-N	419.550	5.323	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2	523064878	XFEWMDMBJZSUPH-MUBYSKIDSA-N	401.535	5.405	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cc1OC	524540544	ODIHWJHTEKOQOW-GOSISDBHSA-N	403.478	5.652	30	20	HKED	
CC(=O)N(c1nc(CSc2ccc(C#N)cc2F)cs1)c1ccccc1F	525115252	KLIUNHDXYRWKIS-UHFFFAOYSA-N	401.463	5.270	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)Nc3nc4n(c3C#N)CCS4)c2)c1	525503031	JIBZCASFMLGKCJ-UHFFFAOYSA-N	420.563	5.022	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1-c1ccccc1	530693981	GWPZKQRTBVUAIW-OAHLLOKOSA-N	403.507	5.409	30	20	HKED	
Cc1[nH]nc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1-c1ccccc1	531121218	FDUHYSFIHUGTDC-UHFFFAOYSA-N	410.502	5.660	30	20	HKED	
CC[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1c(C)noc1C	533873713	URPGCEQOQFGGRW-LJQANCHMSA-N	409.873	5.490	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	534438238	HIAGFCYXEVODPH-MRXNPFEDSA-N	423.538	5.452	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(C2CC2)n1	534682046	CPMWGTZHLVLDON-CYBMUJFWSA-N	403.598	5.144	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1	536184980	ICDMSHRQSBNTBV-QFIPXVFZSA-N	419.546	5.100	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1C1CCOCC1	537514200	PGHVLGROBSVDFJ-HSZRJFAPSA-N	405.498	5.082	30	20	HKED	
CC(C)COC1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	541158737	KUTTUSCQTJTGTK-LJQANCHMSA-N	405.542	5.133	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@H](Cc2ccccc2)c2cccs2)C2CC2)cc1	542419035	QCFNJSGDDXGDPS-JOCHJYFZSA-N	401.535	5.278	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2cc(Cl)ccc2OCC(F)(F)F)no1	546466463	BQXPOJBTCKZYPD-NSHDSACASA-N	423.778	5.343	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1C#N	552728756	KPXYUEOBEFBKEL-UHFFFAOYSA-N	416.478	5.352	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	554206943	SMYCPIMLCFSQDD-ZJDLJICXSA-N	423.582	5.411	30	20	HKED	
Cc1nc2cc(CNC(=O)c3ccccc3-c3ccccc3C#N)ccc2n1C1CC1	559287535	TXIWXNSSTMLRKB-UHFFFAOYSA-N	406.489	5.148	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(F)c1Cl	560837576	TULSWGIOLRTNDG-ZDUSSCGKSA-N	408.951	5.745	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1	561353692	NWVSBAUZBQBOOY-IBGZPJMESA-N	420.509	5.522	30	20	HKED	
Cc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(OCc2ccccc2)c1	563247968	YSJYLLOSUWIWBE-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1c3c(nc4ccccc14)/C(=C/c1ccco1)CC3)CC2	563634841	GGPSJOMOOUJJAE-XDJHFCHBSA-N	417.468	5.389	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](C)c1ccc(Br)cc1	575823918	YKVQPKWOMYRORZ-QGZVFWFLSA-N	418.379	5.325	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cc(Cl)cc(F)c2Br)c(C#N)s1	578031920	ITOZGUSYJGOCDN-UHFFFAOYSA-N	415.715	5.725	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c3c2CCCC3)cc1	595127372	OEWWFHVBMJJAJI-OAQYLSRUSA-N	406.489	5.098	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OC(F)F)cc1	603689126	AADLLGISZJAKAI-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)s2)cs1	604505129	XPEKMNAQPHWPRH-UHFFFAOYSA-N	424.595	5.420	30	20	HKED	
Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609104862	PYJKUEWHCNZKLZ-UHFFFAOYSA-N	413.452	5.247	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1	609304737	QOXWEIMTZXRGLD-CQSZACIVSA-N	417.465	5.380	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	609716945	UIIMXPFNHRIZQR-GDLZYMKVSA-N	424.591	5.417	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1	609970819	LDWBEWWCOVFPCF-GJZGRUSLSA-N	406.473	6.232	30	20	HKED	
CC(C)c1cnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1C(C)C	610034171	WGMMQMGRLNZPCI-UHFFFAOYSA-N	404.967	5.280	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2ccc(C#N)cc2F)cs1	610219720	JVEYFKBFXMZEGZ-UHFFFAOYSA-N	417.918	5.784	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC2(CC1)OCc1ccccc12	611496200	UPHWDDWGORZVQA-UHFFFAOYSA-N	410.473	5.012	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)C1	612313909	FGGYXPBIQNEDCO-NRFANRHFSA-N	413.909	5.205	30	20	HKED	
N#C[C@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccc2ccccc2n1	613292463	KUMXZDIGITWGPW-SFHVURJKSA-N	421.481	6.108	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(OCC(F)(F)F)cc1	614386314	ZQHOLKRXKJVIOE-UHFFFAOYSA-N	419.472	5.288	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1	615502662	IIDXGJXBFVAVSL-UHFFFAOYSA-N	422.529	5.065	30	20	HKED	
FC(F)(F)COc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	618540064	QQGPWECLWHNLHK-RYUDHWBXSA-N	409.292	5.190	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc2ccccc2n1	678572107	BXECMWZDSWMQGA-OAHLLOKOSA-N	407.260	5.217	30	20	HKED	
N#C[C@@H](C(=O)c1cc2cccc(F)c2o1)c1nc2cc(C(F)(F)F)ccc2s1	682126989	DAIUYXZVFAOPMF-NSHDSACASA-N	404.344	5.690	30	20	HKED	
COc1cc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)ccc1OCC#N	727653984	DPZQRZXOKJROKB-YCRREMRBSA-N	424.909	5.579	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1	729651453	GKXPUKFLYUOJOY-LJQANCHMSA-N	413.905	5.196	30	20	HKED	
C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(NC(=O)c2ccccc2)cc1	729894522	HUXBWFZLICISIQ-SFHVURJKSA-N	423.472	5.335	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1c(Cl)cccc1Cl	730092692	PQSURSCWOANGSC-CYBMUJFWSA-N	413.091	5.776	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1	731848060	QAVSRSIASBIJEW-SFHVURJKSA-N	423.582	5.170	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)c1	732073126	ANADXQGEBSJQIW-UHFFFAOYSA-N	420.490	5.027	30	20	HKED	
CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	733131940	UMXYQMBCBMUFRU-QFIPXVFZSA-N	411.505	5.579	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccncc1	734237019	JTNQBBBKBNIXAM-IBGZPJMESA-N	423.856	5.483	30	20	HKED	
C=CC[C@@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccncc1	734456456	ZSZYLDTVPLVXKU-HSZRJFAPSA-N	406.913	5.290	30	20	HKED	
CCn1nc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1Cl	741902596	NUWREPHPMVKMCQ-KRWDZBQOSA-N	413.308	5.426	30	20	HKED	
N#Cc1ccccc1N1CCC(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1	742193999	PBXAWRTWQBYIBG-UHFFFAOYSA-N	421.972	5.199	30	20	HKED	
CC/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C)cc1	745125439	ITIVKHLAIFKZGA-UFSZVFTQSA-N	422.550	5.365	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(-c3cccs3)cc2)cc1OCCCC#N	747361858	ZEDSJAHRNYNWEB-SDQBBNPISA-N	403.503	6.002	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1	750442616	IJVNWMFZFAHAHY-JCGIZDLHSA-N	410.436	5.117	30	20	HKED	
COc1ccc(/C=C(\C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1F	754112182	DCQOVCOMODVXNW-LFIBNONCSA-N	417.440	5.244	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(Cl)ccc1Sc1ccccc1	759190616	BZBHTFKXQPAWFI-HNNXBMFYSA-N	408.910	6.034	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1	760797068	DOSOTIRYPLEFQR-NRFANRHFSA-N	410.832	5.140	30	20	HKED	
O=C(CCSc1ccccc1F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764751103	HYSDROMPHIHRCJ-UHFFFAOYSA-N	414.289	5.022	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cncc(-c2cccc(C)c2)c1	768761965	BKAYLHMMHMQXOD-QHCPKHFHSA-N	411.505	5.143	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(SC3CCCC3)cc2)ccc1OC	772987791	XCVAYNSAKIPRPP-WIYYLYMNSA-N	424.610	6.262	30	20	HKED	
COCCc1nc(C)c([C@@H](C)OC(=O)c2ccccc2Oc2ccccc2C#N)s1	778328848	GNDNNXRGXIHJKT-MRXNPFEDSA-N	422.506	5.222	30	20	HKED	
Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)N[C@@H](CCC#N)c1ccccc1	779135158	AACWOZWPXJYCQG-AVRDEDQJSA-N	408.546	5.110	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccccc1O[C@H](C)C#N	780152282	DOPRYYDVGBCHLV-KGLIPLIRSA-N	411.914	5.298	30	20	HKED	
COc1ccc(C[C@H](NCc2ccc(C#N)cn2)c2cc(Cl)ccc2Cl)cc1	783300189	JYCQMJZOZOIHTF-QFIPXVFZSA-N	412.320	5.342	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)c(Cl)c1	788361293	YRHCDERRUJLSQB-PKNBQFBNSA-N	424.891	5.415	30	20	HKED	
C=CCOc1ccccc1/C=C1/SC(=S)N(CCCCC(F)(F)F)C1=O	794861346	HBWXCGNLMIHATO-NTCAYCPXSA-N	401.475	5.185	30	20	HKED	
Cc1ccc(C(=O)NCC(F)(F)F)cc1N[C@H]1CCCCc2cc(C#N)ccc21	795812945	GYJIZPAYJDVTMO-IBGZPJMESA-N	401.432	5.038	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	799027341	XBGXIBPLWIQCBS-UHFFFAOYSA-N	422.447	5.422	30	20	HKED	
N#Cc1sc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)nc1Cl	804711695	RCYWQXVGUUNPCZ-CQSZACIVSA-N	401.841	5.267	30	20	HKED	
CC[C@@H](NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)cc1	806181164	AZYRBMGKHXYQCG-JOCHJYFZSA-N	405.542	5.487	30	20	HKED	
C(=NOCc1cccc(SCc2ccccc2)c1)c1ccc(-n2cncn2)cc1	808248248	HJPCDTUTMIYFFO-UHFFFAOYSA-N	400.507	5.110	30	20	HKED	
C[C@@]1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)OCCc2sccc21	810158051	HCFQNNHFRIKWHX-YKSBVNFPSA-N	417.534	5.013	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2c(CN[C@@H]3CCc4ccc(C#N)cc43)cccc21	810240307	UYBSJPLGPPCYPY-JOCHJYFZSA-N	403.526	5.023	30	20	HKED	
C=CC[C@H](NC(=O)NC(C)(C)c1ccc(Br)c(C)c1)c1ccncc1	812048237	PRUVEOQRWMKPPJ-SFHVURJKSA-N	402.336	5.004	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2cnc3c(cnn3C(C)C)c2)s1	893332800	PXXRSWRQMVAFIP-UHFFFAOYSA-N	400.552	5.019	30	20	HKED	
C=CCCC[C@H](c1ccccc1)c1nc(Cc2coc(-c3ccc(OC)cc3)n2)no1	904326279	ZAXLXGDQBHFISD-JOCHJYFZSA-N	415.493	5.812	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1	915350287	PUOKQPBEFRCKQH-IZZNHLLZSA-N	424.548	5.128	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ccc(C)cc2)c1	916250382	YGWIKJYCKPQMGG-UHFFFAOYSA-N	412.493	5.311	30	20	HKED	
CCCCCCn1nc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c2ccccc2c1=O	916849011	QVKMIJQQTDPIQS-OAQYLSRUSA-N	424.504	5.015	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1	916976819	UPAUFDSZELSISM-KRWDZBQOSA-N	413.329	6.025	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ccccc2Br)cc1	917119383	BPXPKACHVUISDS-NRFANRHFSA-N	419.322	5.676	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S	917485717	VRABTIPXXNMRNM-UHFFFAOYSA-N	424.545	5.209	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1ccc2ccccc2c1)C1CC1)c1nc2ccccc2s1	920090094	ZJEZWMCDXZFOBC-NRFANRHFSA-N	411.530	5.290	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2)cs1	920111390	VPAPVVHGWPHYIL-INIZCTEOSA-N	402.853	5.551	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C2	1792567597	OGKDNMAHGAUZNM-DVWBAYGPSA-N	416.993	5.074	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)[C@@H](C)CC	1795574972	KPMPIUNGTADQDT-VICKOHNTSA-N	422.613	5.223	30	20	HKED	
CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CC#N)cc1)C2	1801831128	ZVQRFPRSXQGCTH-NUNAXRQHSA-N	423.601	5.001	30	20	HKED	
C=CCn1c(S[C@H](C)C#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12	9397829	RHCCHUADYGJELV-QGZVFWFLSA-N	411.534	5.659	30	20	HKED	
CCN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)[C@@H](C)c1ccc(C#N)cc1	45500000	NFJRCXMEUVUGIA-KRWDZBQOSA-N	403.530	5.231	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(F)F	46443282	NKOYQZNZJJGWQA-OAHLLOKOSA-N	414.433	5.219	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1	60043792	ALJQRNNCLLEDRI-JOCHJYFZSA-N	405.482	5.839	30	20	HKED	
COc1ccc(CCCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	61165423	UEYGWAYBLKBXQA-UHFFFAOYSA-N	416.496	5.258	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OCC4CC4)cc3)c2)cc1	65646575	QJGOOFIGKJCAGW-UHFFFAOYSA-N	412.489	5.373	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c1	217115975	VCBMAAUPXXFQCD-QHCPKHFHSA-N	422.575	5.405	30	20	HKED	
Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CCCCOc1cccc(C#N)c1	303546364	ZIDPJJPUTYJUBV-UHFFFAOYSA-N	418.497	5.228	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(C#N)cc1	303657102	CPXQOPJRJFLUSL-OAHLLOKOSA-N	420.925	5.965	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)s1	426162813	SZAOMVCTFIJDTA-OAHLLOKOSA-N	410.926	5.789	30	20	HKED	
COC(=O)C12CCC(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)(CC1)C2	428180941	ZQTLGFFUGQIQJG-HLJPNSHOSA-N	422.912	5.057	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	432275846	VEDBSMNVMQCZFG-UHFFFAOYSA-N	410.489	5.203	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)sc4c3)n2)cc1	433101501	HAQVXXOZRHCAGG-INIZCTEOSA-N	405.504	5.227	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3NCc3cccnc3)cc2)c1	434077097	NLXQFGUZJIUAOD-UHFFFAOYSA-N	420.472	5.610	30	20	HKED	
COc1ccc(-c2ccn(-c3ccc(S[C@@H](C)c4cccc(C#N)c4)nn3)n2)cc1	436244065	XPQLUVCEYSYEOJ-INIZCTEOSA-N	413.506	5.063	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1	436315328	TTXMSBLNCMAFOQ-RHDGDCLCSA-N	401.432	5.574	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2nc3cc(Cl)ccc3s2)cc1C(F)(F)F	438649218	TVBMJNVJGVMJOQ-UHFFFAOYSA-N	410.808	5.162	30	20	HKED	
CCCc1c(NC(=O)Nc2ccc(C(C)=O)c(Cl)c2)cnn1-c1cccc(C#N)c1	439678751	DULXAEBPJMXOOJ-UHFFFAOYSA-N	421.888	5.196	30	20	HKED	
Cc1cccc2nc(C3CCN(C(=O)Nc4cc(C#N)ccc4OC(C)C)CC3)oc12	444825546	WZXAUFNENIFIIZ-UHFFFAOYSA-N	418.497	5.207	30	20	HKED	
CSCc1cc(F)ccc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N	447058339	GVWIGBQZCLCYBB-CQSZACIVSA-N	403.548	5.405	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@@H](C)C[C@H]1c1ccccc1F	460775788	ANSXSRAZLHCBEN-CVDCTZTESA-N	420.532	5.298	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc1OC	462763432	OPXOOOTUCQMKDS-LJQANCHMSA-N	403.522	5.786	30	20	HKED	
C[C@H](c1cccc(C#N)c1)c1nc(Cc2nc(-c3c(F)cccc3F)cs2)no1	463061893	SPLIEZNQMBDPLW-GFCCVEGCSA-N	408.433	5.086	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc2c1OCC2)c1nc(-c2c(F)cccc2F)cs1	463064638	OYQBVQYCHRNOIL-CYBMUJFWSA-N	416.836	5.167	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(-n2cccn2)c1	467706734	XSGPFNCHVFGIEH-GOSISDBHSA-N	423.476	5.419	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	467991734	AGHKTNQXQPRKJK-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)Nc1cccc(OCCCC#N)c1	468322914	YQDAILUHHSGNFR-IBGZPJMESA-N	406.530	5.700	30	20	HKED	
O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N(CCC(F)(F)F)CC(F)(F)F	468531604	WWIMZWOKAXBPOO-NWDGAFQWSA-N	407.276	5.152	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1	473669818	GEQBVCYDBBXKLW-RUZDIDTESA-N	411.461	5.014	30	20	HKED	
COc1ccc2c(c1)C(C)(C)C[C@@H]2Nc1ccc2c(c1)CCC(=O)N2CCCC#N	474053194	LNAKACQSIQQMSM-QFIPXVFZSA-N	403.526	5.113	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc12	474420832	HTGXOFZLTKNZEU-MRXNPFEDSA-N	406.536	5.465	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccccc1	475533262	VJZNSJOZYPJJGX-QGZVFWFLSA-N	418.884	5.013	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2ccc(C(C)(C)C#N)cc2)cc1	475900543	NXBQJPOLXSYPGG-RUZDIDTESA-N	411.549	5.697	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	476528337	BAZFBJNWEUUSLI-UHFFFAOYSA-N	416.352	5.147	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1	477089038	NITDUYCTIODOFK-LLVKDONJSA-N	409.736	5.607	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1Br	478739684	LMERGHNWKCNWMS-MAUKXSAKSA-N	418.722	5.406	30	20	HKED	
CCS[C@@H]1CCCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	481328883	FAORUWFYVDWZFD-JOCHJYFZSA-N	423.582	5.471	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	483432819	RLORMPGDWGZQNH-ZDUSSCGKSA-N	419.790	5.461	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3COc4ccc(Cl)cc43)c2)cc1	486030061	PQPCXMFWJNQYFH-QFIPXVFZSA-N	418.880	5.100	30	20	HKED	
CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(-c2ccccc2C#N)cc1	487569611	SJYUKJQJTNIRLT-UHFFFAOYSA-N	413.521	5.085	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(F)cc1OC1CCOCC1)c1ccc(F)c(F)c1	488665022	AZYSETCTVBYKRP-OAQYLSRUSA-N	420.431	5.101	30	20	HKED	
C=CCn1c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccccn1	488901582	SRBNGYDEZBNQHR-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccs1	489422620	GEQZDGUSNLBJKE-LLVKDONJSA-N	422.938	5.104	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Nc1ccc2nc(C(F)F)sc2c1	490586510	HAOWUKDGRBJPNS-UHFFFAOYSA-N	418.494	5.160	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	491994539	CGXXXEFVOVKAIL-CYBMUJFWSA-N	410.289	5.651	30	20	HKED	
COc1ccc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)cc1OCCCC#N	494112853	WDVOFVMSPXXCKP-SAPNQHFASA-N	422.506	5.393	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCS1	494579709	QASVUSZOWXSDPF-CQSZACIVSA-N	401.919	5.363	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N(C)Cc5ccc(C#N)cc5)(C4)C2)C3)cc1	498504646	JHCAMFIPXDGWNL-AZZUFQGZSA-N	414.549	5.063	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1	499308145	OWEZLNFQXCPYAO-MRXNPFEDSA-N	424.467	5.212	30	20	HKED	
CCOc1ccc(Br)cc1NC(=O)Nc1cccc(OCCCC#N)c1	502491377	YHVKSVULJAQETJ-UHFFFAOYSA-N	418.291	5.174	30	20	HKED	
COc1ccccc1SC[C@@H](C)CNC(=O)c1ccccc1-c1ccccc1C#N	505095565	YXAIGPQOVHPEHL-SFHVURJKSA-N	416.546	5.392	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCOc2ccccc2F)cc1	505651898	NKQCUIBMAJELSF-UHFFFAOYSA-N	420.440	5.296	30	20	HKED	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505800133	ARJXDJRKBNEDNB-CYBMUJFWSA-N	416.337	5.352	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1)c1ccccc1	505805119	LPBJGQVVSOIHFT-OSPHWJPCSA-N	407.514	5.060	30	20	HKED	
CC(C)(C#N)c1ccccc1CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	505875464	WNLRBMAQCOYBLX-KRWDZBQOSA-N	400.366	5.900	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	510892270	HYIZXGVTGMUSCD-DBXWQHBBSA-N	409.555	5.228	30	20	HKED	
Cc1ccc2c(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)coc2c1C	510965203	ZTQFIXDRMSUBMM-UHFFFAOYSA-N	400.400	5.055	30	20	HKED	
N#CCCC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1	515527726	OFIMAXAXXKUWDU-OAQYLSRUSA-N	409.873	6.033	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)c1	517121552	WPTCAWLBBAYIKL-UHFFFAOYSA-N	411.505	5.224	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1	519908561	DMFHIZKKPRCBGS-UHFFFAOYSA-N	415.324	5.573	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC	520196834	FTVPNFOPIQXISO-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1nc2c(s1)CCCC2	520323525	IKWHDCCSSRUFNN-HZPDHXFCSA-N	406.473	5.363	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H](CC)c1ccccc1	520840911	WCCPWOZZVNPYPO-HXUWFJFHSA-N	409.555	5.021	30	20	HKED	
COc1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc2ccccc12	521491493	UFQHTUPQDGSJTL-UHFFFAOYSA-N	423.472	5.141	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1	521726262	PAYCSANEFIVGCQ-ZDUSSCGKSA-N	413.955	5.968	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)nc2ccccc21	524909372	QMBNCZIPQBSWGF-HXUWFJFHSA-N	420.447	5.418	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)COc2ccccc2C#N)C(C)C)cc1	525078946	FEPOJEDDSYHDPP-UHFFFAOYSA-N	414.505	5.050	30	20	HKED	
CCCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1cccnc1	525149029	VJSCLVRYPUNWKT-DEOSSOPVSA-N	419.525	5.213	30	20	HKED	
Cc1ccc(-c2csc3nc(CSc4ccc(C#N)cc4F)nc(O)c23)s1	525503598	HWSHHWUKDSKBAI-UHFFFAOYSA-N	413.524	5.737	30	20	HKED	
N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)c1ccncn1	527349100	BUKZQJWUKBHJCU-QGZVFWFLSA-N	419.893	5.659	30	20	HKED	
CCN(CCc1nccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	533131037	KMKIUJNNCFNSNX-LJQANCHMSA-N	424.957	5.548	30	20	HKED	
C=C(C)COc1cccc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)c1	535490306	FTKXONWOZVJTAQ-UHFFFAOYSA-N	406.511	5.262	30	20	HKED	
C[C@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1	535602040	JGKQLHWWAKJKND-DCFHFQCYSA-N	410.517	5.052	30	20	HKED	
Cc1noc2ncc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cc12	536382196	LKUPAXIRXSFBPO-UHFFFAOYSA-N	404.813	5.101	30	20	HKED	
C[C@@H](N[C@H](C)c1cccc(Cl)c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2	537114491	UBKUHRTUQUPNTK-GHMZBOCLSA-N	408.354	5.093	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c(F)c(F)cc(F)c1F	538425062	UOMVGTCYDMQONO-ZDUSSCGKSA-N	419.218	5.295	30	20	HKED	
C=CCC[C@H](NCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1ccccc1	539357704	CQNIKYUJKADNGU-QHCPKHFHSA-N	402.542	5.033	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	540308083	MBYWFSYGDZUOHX-LJQANCHMSA-N	421.850	5.523	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(CC#N)cc2)c2ccccc2)cc1Br	542208648	RCBQAZSEVAGCOH-QHCPKHFHSA-N	421.338	5.403	30	20	HKED	
O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H](c1cccc(F)c1F)C(F)(F)F	542389076	DXWNPODPKHXLME-CYBMUJFWSA-N	420.288	5.204	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@@H](c2cccnc2)c2ccc(F)cc2F)CC1	542493602	DGXMMCKAPHOYPZ-BAWHURIHSA-N	419.475	5.301	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCc3ncc(-c4ccccc4)[nH]3)c2)cc1	543883195	BTQDMQVYUCNXAB-UHFFFAOYSA-N	409.449	5.062	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ncc(-c2ccccc2)o1	544467054	QOSTXXVXCALIGR-IAGOWNOFSA-N	420.538	5.025	30	20	HKED	
Cc1ccncc1N(C)C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C	545215653	CAXXSLKCDOPXCM-UHFFFAOYSA-N	420.538	5.005	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	549047722	CNBUZDLNHCFDAU-VGOFRKELSA-N	415.493	5.370	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@H]1C2(F)F	557301568	WVABZJODDWFWEM-UYAOXDASSA-N	402.828	5.121	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1	562146425	DJWHPPAUPNURRE-IBGZPJMESA-N	421.394	5.253	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccccc1OC	563780813	OAGLDNMSIJPYLS-UTKZUKDTSA-N	422.504	5.093	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cnccc3Oc3ccccc3)cc2)ccn1	574969243	OUKSTUISKZUSBH-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccs1	576872824	PQYASEXOADPOPB-QFIPXVFZSA-N	420.538	5.123	30	20	HKED	
CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	582080317	ZRKPHXVAJZUBAE-XMMPIXPASA-N	413.477	5.128	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc2cc(F)ccc2s1	592973650	DDZVLEQDFBNYIL-LJQANCHMSA-N	418.518	6.218	30	20	HKED	
N#Cc1ccsc1NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	603776264	POPNAJDWWMDZJQ-UHFFFAOYSA-N	413.458	5.852	30	20	HKED	
COc1ccc2nc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc2c1	604003867	MRKXNODRQMNRBB-UHFFFAOYSA-N	423.472	5.141	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	604044304	GKODWFOJDQFFIJ-LJQANCHMSA-N	415.493	5.601	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(NC(=O)CCC)c1	606770168	TWZCFJNXMKKSRI-UHFFFAOYSA-N	406.404	5.261	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N(C)C	609435351	IQHJJCXUCUJRNV-HNAYVOBHSA-N	416.978	5.159	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)Cc3cc[nH]n3)cc2)cc1	609518062	RSVOFDUZZPDPNI-UHFFFAOYSA-N	422.488	5.111	30	20	HKED	
CSCc1c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)oc2ccccc12	609589340	UKWBIEFAUSONHA-OAHLLOKOSA-N	405.306	5.597	30	20	HKED	
N#Cc1ccc([C@H](Sc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C(N)=O)cc1	609648430	GZTQMFGFYTWCEU-SFHVURJKSA-N	422.560	5.057	30	20	HKED	
CC(C)C[C@H](C#N)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	611250525	FSJAWURIAPEBOR-UOKXEKBWSA-N	424.429	5.163	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1C(F)(F)F	613292284	FLISHRWHHUMRKI-MRXNPFEDSA-N	420.394	5.238	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccs1	619855036	HPDSSBPDALAEIE-NZQKXSOJSA-N	405.571	5.060	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2ccccn2)CC1)c1ccc(C(F)(F)F)cc1	677159729	ATECJEFYWCMOMG-OAQYLSRUSA-N	417.475	5.697	30	20	HKED	
C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O	726628123	YKPGHHLONAADPZ-ZDLGFXPLSA-N	412.923	5.182	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccccc2Oc2ccccc2Cl)cc1	727934767	ITTWCONBVDGPOH-UHFFFAOYSA-N	407.857	5.356	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccccc1Cl	727978928	PBAHNLIYPGXOEY-UHFFFAOYSA-N	407.926	5.908	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)Nc3ccccc3Cl)cc2F)c1	728175461	VHXRMYYMWPDBOM-UHFFFAOYSA-N	411.889	5.739	30	20	HKED	
N#C[C@H](C(=O)Cc1ccccc1Br)c1nc2cc(Cl)ccc2s1	729186976	SNJLGJHYIMIMBH-GFCCVEGCSA-N	405.704	5.131	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)o2)cc1	730839330	GFPLOMXCDKYBRM-UHFFFAOYSA-N	421.884	5.236	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)NCc1cccc(C(F)(F)F)c1	731321742	RFPBRJQOXHTDSB-ZDUSSCGKSA-N	409.502	5.586	30	20	HKED	
COc1cc2c(cc1NC(=O)CCCCOc1cccc(C#N)c1)oc1ccccc12	731956871	XTKLFRGDPJWYOK-UHFFFAOYSA-N	414.461	5.654	30	20	HKED	
CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(SC(F)F)cc3)c(Cl)nc21	734979370	CISGFJJDOSJUAW-VMPITWQZSA-N	407.873	5.876	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cc1	735477768	FKCDHUBQJVGXMN-UHFFFAOYSA-N	405.401	5.062	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	739153933	AEVXTODLVIQEJY-RDTXWAMCSA-N	414.452	5.884	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCCOc4ccc(F)cc43)c2)s1	740059795	GPCVGYWCEJHTPN-HXUWFJFHSA-N	421.497	5.139	30	20	HKED	
CC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc2ccccc2[nH]1	740064761	TYFQICSYWLAKBM-GOSISDBHSA-N	415.522	5.114	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1CC	740327831	AZXPIAAYESQEPQ-AWEZNQCLSA-N	421.415	5.017	30	20	HKED	
C=CC[C@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)c1ccncc1	745827045	GEIOAUVRHJGRJH-IBGZPJMESA-N	421.463	5.394	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Cl)nc2Cl)sc2c1-c1ccccc1CC2	747643573	KUNPOCCJSBDKJQ-UHFFFAOYSA-N	400.290	5.339	30	20	HKED	
N#CCC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1	747974382	QOZISSXUBYNZLZ-NRFANRHFSA-N	400.507	5.131	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1C	750913361	LXFJHPANTXGLRQ-XYOKQWHBSA-N	408.473	5.143	30	20	HKED	
CSc1cc(Br)ccc1/C=C\C(=O)c1cccc(N2CCOC2=O)c1	755697916	DMLVICDQEYCKIJ-VURMDHGXSA-N	418.312	5.024	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	764377489	WBESKYGEIQUDRP-IBGZPJMESA-N	423.557	5.170	30	20	HKED	
C#CCOc1ccc([C@H](C)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1	765716437	CTOPAUVQBVEORT-QFIPXVFZSA-N	421.544	5.461	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1C#N	770005505	CAXWIPDJMVJGIO-UHFFFAOYSA-N	411.767	5.051	30	20	HKED	
Cc1ccc(-n2c(-c3ccc(F)cc3)nn(CN3CCC(C)(C#N)CC3)c2=S)cc1	779879696	NWZHJMYYEXMWMW-UHFFFAOYSA-N	421.545	5.101	30	20	HKED	
N#CC1(COC(=O)c2csc(-c3ccc(Br)s3)n2)CCCCC1	780485111	IFJSJXIJOYQHNS-UHFFFAOYSA-N	411.346	5.265	30	20	HKED	
N#C[C@@H](C(=O)CCSCc1ccccc1)c1nc(-c2c(F)cccc2F)cs1	796669324	FJOHRZLBZQXYOL-HNNXBMFYSA-N	414.502	5.588	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\c2cc(Cl)n3c(nc4ccccc43)c2C#N)cs1	797174244	CQEYCSIZLZEHIK-HJWRWDBZSA-N	421.913	5.012	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1	797566814	ARFUWCRVQIEYBN-MRXNPFEDSA-N	413.543	5.207	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc21	798394910	SAZXNHLOAIJJTP-IBGZPJMESA-N	416.431	5.419	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnn(C2CCCC2)c1	799897469	VBUVOSUFVMUBQN-SEYXRHQNSA-N	409.493	5.142	30	20	HKED	
N#CC1(CCCOC(=O)c2ccccc2OCc2ccccc2Cl)CCOCC1	800081947	QJCIIOKPMLOJOG-UHFFFAOYSA-N	413.901	5.176	30	20	HKED	
C/C(=C/c1ccccc1C(F)(F)F)COC(=O)CCc1c(C)nn(CCC#N)c1C	800457274	HLWIHTOPHDAJIH-SQFISAMPSA-N	419.447	5.012	30	20	HKED	
CC(C)(C)N1CC[C@H](NCc2ccc(OCC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1	801954737	JMDFFWKYVVLTTR-FCHUYYIVSA-N	415.940	5.085	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(Cl)n1	806584859	XCOGVKIFJCEQDD-UHFFFAOYSA-N	413.355	5.099	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2cccc(C)c2s1	808979318	HQNLVCZKUITGSI-AWEZNQCLSA-N	412.898	5.141	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)c1	915106898	HXMQBYUZLIEUJL-MRXNPFEDSA-N	422.460	5.282	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(C)C)cc1	915351882	HLPGBQDGLVPZKH-LOSJGSFVSA-N	413.521	5.869	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc2ccccc2c1OC(F)F	915983685	FTSVAPQNESYVIH-LUAWRHEFSA-N	408.429	5.856	30	20	HKED	
COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=S)Nc2ccccc2C#N)cc1	915997613	PIPFDEMVROFWQU-UHFFFAOYSA-N	415.562	6.094	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	916151885	GKINCLXMYFDMNI-TWGQIWQCSA-N	408.797	5.307	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1C	916845967	AQOXGBNNAYKUEP-QGZVFWFLSA-N	418.547	5.067	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCC1)c1nc(-c2ccc(Cl)cc2)cs1	916976449	OKHVGUSUQJFJJB-SFHVURJKSA-N	410.901	5.901	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)cc1	917396913	KFSHLCQGLQJSAH-JOCHJYFZSA-N	412.375	5.430	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC#Cc1ccccc1	917951143	XNWCFXFUPHXXJO-UHFFFAOYSA-N	409.894	5.171	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Br)c1	920102590	WZTOXIWJJKFQNN-IBSYWUHOSA-N	421.294	5.152	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(-c4ccccc4)cc3)n2)cc1	920142950	XSIMDROUUWOUJY-QHCPKHFHSA-N	419.509	5.768	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1	1786898128	SAHQZXRHOYYIBT-UHFFFAOYSA-N	406.526	5.115	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)CC2)C1	1805458700	TUXZCBVRCYEINW-JOCHJYFZSA-N	422.613	5.098	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(Cc3cccs3)n2-c2ccccc2)cc1	6993240	PUWFCXAHFZVLRJ-OAQYLSRUSA-N	416.575	5.455	30	20	HKED	
O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1	7611271	JVFFRGMGAOFYCD-UHFFFAOYSA-O	402.326	5.332	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1OC	8347185	VNSHQVGBMBVOND-SICOMBFOSA-N	408.523	5.103	30	20	HKED	
Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)c1	21681611	UKKMXMWQJSQYHP-INIZCTEOSA-N	423.567	5.018	30	20	HKED	
C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2	42605610	QLJVKUQXFUQHSM-NSHDSACASA-N	413.499	5.022	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1Cl	56661244	APUMTKTXHPCNJF-NFBKMPQASA-N	416.912	5.759	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1oc2ccccc2c1CSc1cccs1	109275370	LKKLYVRHROZXMF-UHFFFAOYSA-N	418.543	5.930	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc3ncsc3c2)cc1	195586660	PQTXEDZNBBRHMG-UHFFFAOYSA-N	401.466	5.150	30	20	HKED	
O=C(NCc1c(F)cc(F)c(F)c1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	430803943	BEDAYODJBJSLLL-URJYKCIISA-N	409.345	5.008	30	20	HKED	
Cc1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c(OCC(F)(F)F)c1	431299502	WSTYCANYTYWARN-IBGZPJMESA-N	419.447	5.171	30	20	HKED	
CN1C(=O)N([C@@H](CCCC#N)c2ccccc2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1	432043157	ZKNAQHJFGRJINW-RBUKOAKNSA-N	416.308	5.364	30	20	HKED	
CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccnc1	435687121	ZELUTCIBZRIZOO-QHCPKHFHSA-N	403.457	5.050	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCCOc1ccc(C#N)cc1	437946805	KHBDNNODPRUZDP-LJQANCHMSA-N	415.493	5.207	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1	438642880	CHYIOBMKWJNYKD-UHFFFAOYSA-N	422.872	5.854	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2c(F)cccc2Oc2ccccc2)c2ccccc21	444166832	CJDXYPORAKUJES-UHFFFAOYSA-N	413.452	6.129	30	20	HKED	
CC(C)n1cnnc1-c1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12	444290681	HYUVCZGGLDEHHY-UHFFFAOYSA-N	412.497	5.037	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1Cl	446842352	VWQCVRQCQOKHTM-FPOVZHCZSA-N	419.916	5.478	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464480620	ZDQHFTZTDLGASW-SFHVURJKSA-N	423.394	5.151	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1	466232253	SHSRJXMQZIYPMN-OAQYLSRUSA-N	411.839	5.595	30	20	HKED	
C=CC[C@@H](CC)NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	466390751	WAZBPKSMHOTMMV-OAHLLOKOSA-N	405.420	5.434	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(F)ccc2-c2ccoc2)n1	471110316	OXAQWMFORVMWEL-UHFFFAOYSA-N	406.804	5.049	30	20	HKED	
C[C@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1ccc(-c2cccc(C#N)c2)cc1	474005041	KKTGKSPRXLNICO-PPHZAIPVSA-N	423.516	5.127	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1	474428930	VJGXISXWQAQUKF-GOSISDBHSA-N	403.507	5.317	30	20	HKED	
Cn1nc2ccccc2c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	475987171	GKUNEDDDUXGYCU-LJQANCHMSA-N	400.869	5.134	30	20	HKED	
CC(C)(C)[C@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1cccs1	476371034	CBGUEFVGOQATBQ-OAQYLSRUSA-N	420.538	5.123	30	20	HKED	
Cc1ccc(CCC(=O)Nc2ccccc2SCCC#N)c(Br)c1	476540617	SCLAFVWNVCJVTR-UHFFFAOYSA-N	403.345	5.335	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2)nc1	477800478	OTXKIMYBHQWADT-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
CN(C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)c1cc(Cl)ccc1C#N	479565113	JQVUOFJVLPAWJS-UHFFFAOYSA-N	422.916	5.490	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2coc3cc(F)ccc23)cc1	480725293	FGEFXTGWWRJRKN-UHFFFAOYSA-N	414.436	5.398	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21	481423157	MKIVLNHSNDQWLE-UHFFFAOYSA-N	410.473	5.059	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nccc2ccccc12	483231366	DODCUYLGVBMOAS-OAQYLSRUSA-N	400.441	5.335	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1	487309922	CWTBMTDBJYUOLV-UHFFFAOYSA-N	415.419	5.015	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)c2ccc(F)cc2)cc1	490626237	INOLWDPVYCEHGM-UHFFFAOYSA-N	416.452	5.072	30	20	HKED	
CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccncc1	497017006	MFHPBYKNNAPFRT-QHCPKHFHSA-N	419.912	5.564	30	20	HKED	
COc1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc(OC)c1OC	502648426	CIAFQOZBPADKFO-UHFFFAOYSA-N	419.437	5.020	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CSC)cc2)cc1	505626441	SFWAJSNDRAPQIY-UHFFFAOYSA-N	404.491	5.474	30	20	HKED	
Cc1ccc(C(=O)C2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc34)CC2)cc1	506961453	KGQKVRFIJCXTFE-UHFFFAOYSA-N	421.447	5.116	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)cc1	508262077	AGJJBKHDFRYGMB-JOCHJYFZSA-N	413.477	5.728	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)cc1Cl	510021821	AKMBNTFMAZGDGQ-LADGPHEKSA-N	415.924	6.364	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2csc(-c3ccccn3)n2)cc1	510403273	GPTQRHCSZCRISY-UHFFFAOYSA-N	414.509	5.418	30	20	HKED	
Cc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1	511000533	OXNVEUOBVJSSKT-UHFFFAOYSA-N	415.440	5.195	30	20	HKED	
C[C@@H]1CCCC[C@H]1OCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	514118079	FAWJKSAVQDBBSJ-NTKDMRAZSA-N	423.532	5.004	30	20	HKED	
N#Cc1c(SCc2coc(-c3cccs3)n2)nc2c(c1-c1ccco1)CCC2	515163272	KCSZMXLCMSKQES-UHFFFAOYSA-N	405.504	5.711	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(F)c(Br)c1	515689691	GOOPWPCDDRUNTM-UHFFFAOYSA-N	415.287	5.370	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1	517355448	RWXWHJLIDMDZGZ-RUZDIDTESA-N	423.447	5.404	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccco3)Cc3ccco3)cc2)cc1	517662273	PCVPDXLQGYFJHE-UHFFFAOYSA-N	412.445	5.574	30	20	HKED	
N#C[C@@H](C(=O)c1cc2sccc2s1)c1nc(-c2c(F)cccc2F)cs1	520431632	WSIZOVQFTXCGBS-VIFPVBQESA-N	402.472	5.855	30	20	HKED	
CC(C)(C)c1csc(CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1	520595557	JELFYFDLRWMBCY-UHFFFAOYSA-N	420.538	5.469	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccccn1	521748614	XUCPSXRXMJMJJD-JTSKRJEESA-N	402.523	5.244	30	20	HKED	
C=CC1CCN(C(=O)c2cccnc2SCc2ccc(Br)cc2)CC1	522045166	APJFBFGMZKUOHP-UHFFFAOYSA-N	417.372	5.175	30	20	HKED	
Cc1ccc(C)n1C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1	522724001	WOUAWAADAPBAQZ-UHFFFAOYSA-N	415.562	5.605	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C	523768050	CZKZGRUTKLKGIE-UGKGYDQZSA-N	411.505	6.069	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	525339368	RATWEQHQSDGGGU-KRWDZBQOSA-N	418.518	5.265	30	20	HKED	
CC(C)CCn1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nc2ccccc21	525625953	UPKOXEXZQZBBTL-UHFFFAOYSA-N	403.511	5.296	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1	532899391	XKWWVCWRXXEPCI-OXJNMPFZSA-N	413.974	5.367	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccccc1	536128772	UYUIJUWMZSESJF-IBGZPJMESA-N	400.478	5.003	30	20	HKED	
COc1ccc(-c2nc3ccccc3n2CCc2ccccn2)cc1OCCCC#N	536143237	ZUXCUCOREWPGGG-UHFFFAOYSA-N	412.493	5.032	30	20	HKED	
C=CCN(C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C1CC1	539028160	RYMMZFAEMVARSI-UHFFFAOYSA-N	403.404	5.140	30	20	HKED	
N#CC1(c2ccccc2)CCC(Nc2cccc(CSC3CCOCC3)c2)CC1	539931161	JLMPMYYMXALRSZ-UHFFFAOYSA-N	406.595	5.915	30	20	HKED	
C=CCC[C@H](NCc1ccc(Oc2ccccc2)nn1)c1ccc(C(F)(F)F)cc1	540432513	RMFHHVAPAIGQEA-NRFANRHFSA-N	413.443	6.085	30	20	HKED	
N#CCC1CCN(C(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)CC1	541040122	YNDCKKUHHIMCCZ-FQEVSTJZSA-N	403.860	5.043	30	20	HKED	
COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542924309	METJMOWUCWQSFK-QGZVFWFLSA-N	402.494	5.102	30	20	HKED	
C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	549180576	RZVYIBDJHNVNAF-LJQANCHMSA-N	405.542	5.764	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c1	553488221	FHGMGELLDIYGPW-NRFANRHFSA-N	415.415	5.008	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3cc(-c4ccccc4)on3)cc2)c1	557727473	GAIVSZFOSNJYKU-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1	561237259	DJUSYRYTXYMUAS-UHFFFAOYSA-N	422.598	5.352	30	20	HKED	
N#CCCn1cc(CNc2ccc(Oc3ccc(F)cc3)nc2)c(-c2ccccc2)n1	561973537	YVIQIVXBICPCJM-UHFFFAOYSA-N	413.456	5.402	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2	574107640	HYDPVPWISTWUOH-CYBMUJFWSA-N	421.488	5.149	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(c2ccsc2)CC1	581679720	KQZNHJHPAGYYED-UHFFFAOYSA-N	412.534	5.018	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Oc1cccc(F)c1	603533883	AKGZLCUMPOFBBH-QGZVFWFLSA-N	406.432	5.146	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(F)cc2Cl)cc1	604003433	AYFQIWPVINXWBN-UHFFFAOYSA-N	424.859	5.142	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1c1cc(F)ccc1F	607464179	PRAPHGBJPLOUNB-ACXKUBNZSA-N	415.324	5.094	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609079348	XQVQTRRULICNQR-HXUWFJFHSA-N	413.521	5.979	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1Cl	609164004	FJLKSUCGUAOONF-IBGZPJMESA-N	400.869	5.053	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)c1occc1COc1cccc(C#N)c1	609218588	VWKAEPFNFHUTCD-UHFFFAOYSA-N	412.898	5.748	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1	609296549	YWJUNWAOWGVZQM-UHFFFAOYSA-N	401.441	5.342	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(-n2cccc2)c1	609381645	CSLDDABEGQYIBB-UHFFFAOYSA-N	415.440	5.754	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ncc(Cl)cc1Cl	609387829	JNIYKSLLGFFUQW-NEPJUHHUSA-N	409.342	5.079	30	20	HKED	
COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	609436696	CUGHYWLPWPQLHY-PKOBYXMFSA-N	409.555	5.328	30	20	HKED	
CCCN1Cc2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2C1	609503262	JPRGQSBLLHMFAE-UHFFFAOYSA-N	411.505	5.523	30	20	HKED	
COc1ccc2c(c1)CCN2C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609724498	VHXOMPZKDBZTQI-UHFFFAOYSA-N	404.853	5.215	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCS[C@H](c3ccccc3)C2)cc1	609791339	GTMYRVWSPJIQOH-DEOSSOPVSA-N	414.530	5.068	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	610387038	UUTKRTCTWGYKLP-KRWDZBQOSA-N	421.566	5.107	30	20	HKED	
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	610729720	HLWNEZBQMDNOLH-NRFANRHFSA-N	420.900	5.023	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3-c3ccccc3C#N)n2)cc1	613318034	HOVKTZFPOAYVIH-HSZRJFAPSA-N	419.509	6.147	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C)nc3-c3ccccc3)n2)cc1	613318214	PNCCLCIDTYEFTE-SFHVURJKSA-N	415.543	6.041	30	20	HKED	
N#Cc1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1Cl	619763174	WLRJIYDEIPYLMR-UHFFFAOYSA-N	423.881	5.201	30	20	HKED	
Cc1ccc(-n2c(S[C@H](C#N)c3ccc(Cl)cc3)nnc2-c2ccncc2)cc1	619863657	GYZJXBCFWBDRSL-HXUWFJFHSA-N	417.925	5.648	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(C(F)(F)F)n1	622283959	IVNRFVNMSXZHBB-UHFFFAOYSA-N	408.245	5.452	30	20	HKED	
CC(C)c1nc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)nn1-c1ccccc1Cl	623173879	OKSATCLRSFHUFN-INIZCTEOSA-N	415.884	5.082	30	20	HKED	
O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642389959	MZIBKUOKTVBZBB-RKDXNWHRSA-N	422.291	5.736	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1cccc(Cl)c1	679092773	SMVSQQMZJRVXQX-HNNXBMFYSA-N	410.861	5.073	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c[nH]cc1-c1ccccc1F	683820741	WWRJJJRMXTUNJK-QWRGUYRKSA-N	422.344	5.460	30	20	HKED	
COc1cc(C=Nn2cnnc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1	725856900	OXZQHBAPWVZLFN-UHFFFAOYSA-N	418.884	5.068	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1csc(-c2ccccn2)n1	727267909	WQAGQEQGKVRJGQ-KTKRTIGZSA-N	407.495	5.672	30	20	HKED	
CC(C)(C)c1cc(CCC(=O)NCc2ccc(OCC#N)cc2)cc(C(C)(C)C)c1O	727678955	SMAIQJQTWRRMFQ-UHFFFAOYSA-N	422.569	5.139	30	20	HKED	
O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1ccc(OCc2ccc(F)cc2)cc1	727685650	VPRYITKZWZQKDP-QCDXTXTGSA-N	417.415	5.021	30	20	HKED	
N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1cccc2ccccc12	728767000	ROLQFUAFOZTEAU-RTBURBONSA-N	410.395	5.223	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1F	730685550	KDIHHKCHRVYGHV-MRXNPFEDSA-N	405.429	5.211	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\Sc1ccccc1	730996298	XLYKGOQKPVCDHP-XFXZXTDPSA-N	408.470	5.956	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cc2)c1	731400962	ZFSZBQKGFOUOCP-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)sc2c1	732707971	IFYGRMKUIPDAJB-MRXNPFEDSA-N	402.947	5.449	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2csc3ccccc23)ccc1OC	733649788	YXJYHHOVFIVZGW-DOTOQJQBSA-N	423.538	5.151	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2)s1	740012136	XWTBTSMYKTXBRB-UHFFFAOYSA-N	415.474	5.745	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1	742553540	CDVDZFXMSFLZQM-CMDGGOBGSA-N	408.552	5.011	30	20	HKED	
CC(C)NC(=O)[C@@H](C#N)C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	744033700	VJDRYTXPSHKTSG-SFHVURJKSA-N	421.349	5.133	30	20	HKED	
Cc1cccc([C@@H]2CCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)c1C	744418590	AHSCCIPLMKFNTE-GMAHTHKFSA-N	410.521	5.068	30	20	HKED	
COc1ccccc1NC(=S)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	745724020	JUXKXPLEQZQFPP-UHFFFAOYSA-N	405.498	5.418	30	20	HKED	
CC(C)(C)n1cc(C#N)c(NC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)n1	746441353	YLPXSKFDZPFYAM-LUAWRHEFSA-N	410.930	5.544	30	20	HKED	
COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OCCCC#N	747472907	IVSXJWFOUUIESI-XSFVSMFZSA-N	424.547	5.092	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1csc(-c2ccc(Cl)cc2)n1	747693705	PRCGOJQEVMSXSJ-CSKARUKUSA-N	412.898	5.327	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2ccccc2n1C	750681128	YCAZNPCBHHECBV-BBRMVZONSA-N	420.925	5.132	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1	757876343	URUCFVLJASNXDT-FQEVSTJZSA-N	424.287	5.325	30	20	HKED	
Cc1nc2sccn2c1C=NO[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760446273	KMDCTCPBSIMJRW-SNVBAGLBSA-N	422.297	5.173	30	20	HKED	
CC(C)(C)O[C@@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1	764753650	TVCPKDCYUYMEAP-LLVKDONJSA-N	422.312	5.257	30	20	HKED	
N#CC1(COC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CCC1	768090209	DZHUCHBEQZIHEW-JVDDPLHJSA-N	423.397	5.346	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cccc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	770842994	WNKSAUQGKKJOGP-HNNXBMFYSA-N	421.369	5.649	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cccc(-c3ccncc3)c2)ccc1OC	772986226	NZMQEWSTYCPURC-WZONZLPQSA-N	401.510	5.289	30	20	HKED	
CC1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN(Cc2ccccc2)CC1	776118983	YHLXRZTVYJDAEQ-SANMLTNESA-N	423.560	5.583	30	20	HKED	
C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1	779713741	XPQGKUBVNCEBOW-QZTJIDSGSA-N	417.534	5.568	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC[C@H](C#N)Cc1cccs1	782632751	DDKTVQKMGYPTTH-ZDUSSCGKSA-N	420.412	5.270	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	783005440	XDCOXTHRTCFUSZ-NRFANRHFSA-N	412.320	5.364	30	20	HKED	
Cc1noc(C2CC2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	783957444	NIMXWJHMGPTSSL-UHFFFAOYSA-N	407.857	5.217	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC(F)(F)Cl)cc1)c1nc2ccccc2n1C(F)F	786321685	HMKPUMPOXSGUHA-GFCCVEGCSA-N	411.742	5.089	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1c[nH]c2ccccc12	786361249	UIYHUJQVTWUNGM-BEFAXECRSA-N	410.502	5.533	30	20	HKED	
COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	789032350	LOGZWMADRMDUOC-RPBOFIJWSA-N	413.521	5.063	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O	789451401	LCMXZWAVOXNMPI-QFIPXVFZSA-N	419.569	5.391	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1	796747303	XUJPRRVHJAKJCD-KBXCAEBGSA-N	415.333	5.940	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(c3cccc(Br)c3)CC2)s1	797568201	GJAWVIVFWMKZSU-AWEZNQCLSA-N	403.345	5.111	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)s1	797571092	NMLAVQNHQDPJPF-SJTCNUARSA-N	421.404	5.351	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(Oc3ccccc3)cn2)cc1	799368935	WPPHYTXJKDATIC-UHFFFAOYSA-N	402.450	5.136	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1	800119701	WGSSLHRFFGSISY-UHFFFAOYSA-N	424.529	5.056	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCCCCC2)cc1	801776018	FZRNIMNGHHKFSC-DNQXCXABSA-N	402.542	5.371	30	20	HKED	
CN(C)C(=O)Sc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1Cl	805434920	FTTMLBZUURSQNI-HNNXBMFYSA-N	401.919	5.140	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1	806400895	LFFKJQNIYAYTRW-NVXWUHKLSA-N	417.431	5.408	30	20	HKED	
N#C[C@@H](C(=O)CCSc1cccc(Cl)c1)c1nc2ccccc2n1C(F)F	808979514	WJPRENNREOQQCX-AWEZNQCLSA-N	405.857	5.443	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2ccc(N3CCCCC3=O)cc2)ccc1OC	810180021	LJCNXOWAMBTWBF-LJQANCHMSA-N	408.542	5.018	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(N2CCOCC2)cc1	810198041	FSBFYBBYYFSPIR-PKNBQFBNSA-N	420.490	5.056	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3cncc(Br)c3)s2)cc1	814886752	IQMAPFZOSHFDAV-UHFFFAOYSA-N	417.332	5.121	30	20	HKED	
Cc1ccc(C(=O)N(O)Cc2cccc3ccccc23)cc1NC(=O)c1ccco1	901367376	CEXCVJUYKQNFLY-UHFFFAOYSA-N	400.434	5.025	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1	906597038	ONTDFOZZFNUDQP-UHFFFAOYSA-N	420.962	5.506	30	20	HKED	
Cc1ccc(C)c(-n2nc(C)c(C=NNCc3cccc4cccnc34)c2Cl)c1	915962557	JYJNBTSFZHMKJQ-UHFFFAOYSA-N	403.917	5.123	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)cc(Cl)c1	916927445	JVOYCSSLJYSPQE-LBPRGKRZSA-N	402.064	5.261	30	20	HKED	
CCOc1ccccc1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976144	LLOOUCSQVGLILR-SFHVURJKSA-N	410.926	5.671	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995716	GJTVZPKPMXTJOC-ZGRWHYIRSA-N	424.312	5.878	30	20	HKED	
Cc1ccc(C)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	917600133	IYIFBDKWYXYFIQ-UHFFFAOYSA-N	407.926	6.430	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1	919838714	KWGQFBFJNUPWBD-UHFFFAOYSA-N	423.266	5.396	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc(F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1	920806772	PNROKGHJKAMRSA-NSHDSACASA-N	422.428	5.335	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)(F)F	921262219	QFPZBUGQMBVKNE-WAYWQWQTSA-N	415.751	5.094	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1	1790685242	ICMZKZCHBOVUPL-UHFFFAOYSA-N	406.526	5.188	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1	1826257693	AURAFEJJVFQFRF-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)CC1	1830348545	CDFIGCZWPMJHOO-WEOAWCGQSA-N	412.618	5.121	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832556126	QZVGQIWXHONHCH-DVECYGJZSA-N	408.586	5.010	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)cc1C	10756910	GSBLVVVFHQSTOQ-UHFFFAOYSA-O	413.925	5.434	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ncccc2Cl)n(C2CCCCC2)c1C	11251733	HQSROUPSZQSLNY-UHFFFAOYSA-N	402.951	5.261	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc(C#N)cc2)cc1	14866805	FAOJUILAWMRQCC-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
C[C@H](C#N)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1	23563656	DGDMLMVCXVKBGA-CQSZACIVSA-N	423.592	5.233	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)oc2ccccc12	41513776	VRJGSRPLPSWHAG-KRWDZBQOSA-N	402.475	5.501	30	20	HKED	
C=CCc1ccc(OCC(=O)N(Cc2cccs2)Cc2cccs2)c(OC)c1	60932046	XOSREDSSUCDFDB-UHFFFAOYSA-N	413.564	5.155	30	20	HKED	
Cc1ccc(-n2c(SCc3ccc(F)cc3C#N)nnc2-c2ccncc2)cc1C	112529876	OQKHZFOWSPGLDI-UHFFFAOYSA-N	415.497	5.249	30	20	HKED	
C#CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)[C@H]1CCc2ccccc21	139244104	IDLBAMXGXORBBC-QHCPKHFHSA-N	419.525	5.090	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1	214256668	LAUWRERNNPWNBF-DAXSKMNVSA-N	403.718	5.372	30	20	HKED	
CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1	255203449	HADOTDDXNKMHOS-SFHVURJKSA-N	415.946	5.019	30	20	HKED	
C=CCC[C@H](C(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1)c1ccccc1	427778857	KBANMRXHACRCLS-QFIPXVFZSA-N	424.610	5.341	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(-n3cnc4ccccc43)cc2)s1	430630705	SEPSYZOHMFGGPZ-KRWDZBQOSA-N	400.507	5.270	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(COc3cccc(C#N)c3)c2)s1	430648073	YWCISZSPIPXAHS-FQEVSTJZSA-N	415.518	5.381	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C(\Cc2ccccc2)c2nc(=O)cc[nH]2)c1	432710531	WPLWKVPRUPJXPM-LFVJCYFKSA-N	419.484	5.004	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)c1ccccc1	433769345	SZQQZDVJPPAUQK-UHFFFAOYSA-N	412.537	5.637	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)cc1	436042157	FNMSNERYQGLTEK-UHFFFAOYSA-N	419.681	5.043	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1	436359852	KZBCEEFEQNIFQE-DNQXCXABSA-N	415.537	5.117	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2Br)cc1F	437474813	PEOILSWHSBAYHF-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1	438044691	NFFVFPTTZCCRKR-KSSFIOAISA-N	403.935	5.101	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccccc2-c2cn[nH]c2)cc1Cl	439750826	JNCUMYFZODRHLQ-UHFFFAOYSA-N	414.852	5.646	30	20	HKED	
C=C[C@@](C)(CC)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	442899818	LPUBZETUDVXHNG-NLFFAJNJSA-N	406.526	5.036	30	20	HKED	
O=C(Nc1ccc(Br)cc1C(F)(F)F)c1cc(F)c(F)c(F)c1F	444413850	VWDJBZIWRAJDOQ-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
CC(=O)Nc1ccc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	444459191	SHGBFXXIVWUFPQ-SFHVURJKSA-N	409.898	5.220	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(OCC)cc3)n2)nnc1-c1ccoc1C	448043539	OGUAEBOLXVYHJP-UHFFFAOYSA-N	422.510	5.379	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	460955685	CNCVIKIWVCCEMN-ZOCIIQOWSA-N	421.372	5.600	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c(C(F)(F)F)c1	463614239	NHFOIBKHOJUDOD-ZIAGYGMSSA-N	406.473	6.210	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccoc1C(F)(F)F	464445111	WQUMEUCXBGUZCU-LLVKDONJSA-N	419.243	5.741	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1	466836366	RJSSADFTQSCRSX-ZDUSSCGKSA-N	403.891	5.021	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)n(C2CCCC2)c1C	467266420	RFKNSDULKMZYGJ-INIZCTEOSA-N	404.514	5.127	30	20	HKED	
COc1ccc(-c2cnc(CNc3cccc(OCc4cccc(C#N)c4)c3)o2)cc1	467267296	CYEBHSYLSBHKEU-UHFFFAOYSA-N	411.461	5.413	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccoc1C	468625027	IZQPORBEXUHUSJ-MRXNPFEDSA-N	421.526	5.553	30	20	HKED	
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C[C@H](CC#N)c1ccccc1	474969015	PQMQKOREPHQVQW-KNKQGSTJSA-N	417.553	5.139	30	20	HKED	
CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)c(F)c1	475899508	NNXXKSPMOILFEN-CLOONOSVSA-N	419.475	5.385	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](c1ccccc1)C1CCCC1	476365614	OSQCGZHMUGILNP-HOYKHHGWSA-N	407.583	5.398	30	20	HKED	
COc1ccc2[nH]cc(Cc3noc(/C=C/c4cn(CCC#N)c5ccccc45)n3)c2c1	478340828	NFDDHXIILWTUTQ-JXMROGBWSA-N	423.476	5.189	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479171971	YCUIKHDPIQADFI-HLJPNSHOSA-N	417.553	5.259	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C	480167467	SYLDRPHCCXTHAH-HNNXBMFYSA-N	406.461	5.005	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NCCSc3ccccc3)cc2F)c1	481660895	ULUCNFGMEKNAMU-UHFFFAOYSA-N	421.497	5.190	30	20	HKED	
Cc1ccccc1-c1nnc(C)n1-c1ccc(Oc2ncc(C#N)cc2Cl)cc1	481832713	PFKXPZSHCOLGQI-UHFFFAOYSA-N	401.857	5.264	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c(OCCC(C)C)c1	482583342	OCHSDHHZGJBUEY-KRWDZBQOSA-N	406.404	5.024	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C	486885354	UFIKRQSEHGTCON-UHFFFAOYSA-N	401.514	5.311	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc(F)c3C#N)cc2Cl)c1	488336578	ZPQPOGRXKBPNBS-UHFFFAOYSA-N	405.816	5.054	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nc(Cc2ccc(Cl)cc2)no1	488793630	CKKHGAQENKZUQC-SNVBAGLBSA-N	424.835	5.453	30	20	HKED	
CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(=O)C1(C#N)CCOCC1	489153555	FWGQOHVPNNQFMU-UHFFFAOYSA-N	410.583	5.381	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccccc3)n2)nnc1-c1cccc(Cl)c1	489618330	DVTRVFJTSNKORW-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2cccc(F)c2F)cc1	490693668	OACQVUGEKODIAL-UHFFFAOYSA-N	423.419	5.002	30	20	HKED	
N#Cc1ccc(Br)c(CSCc2csc(-c3ccccn3)n2)c1	492109685	SKPPDYHSLSPZGN-UHFFFAOYSA-N	402.342	5.273	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(-c2cccs2)n1	500999217	LSXNISXSKOCRCQ-UHFFFAOYSA-N	405.504	5.112	30	20	HKED	
C=C[C@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)c1ccccc1	501824856	IJGDPVUQELHMEE-DENIHFKCSA-N	401.510	5.540	30	20	HKED	
CCc1ccc(-n2nc(C(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)c3c2CCC3)cc1	503155336	XDUJCAIYHUPYDI-SFHVURJKSA-N	412.537	5.018	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc2cc(Cl)ccc2s1	503419905	IBLQJMCYUDAISQ-INIZCTEOSA-N	405.866	5.627	30	20	HKED	
Cc1ccc2oc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)nc2c1	504580040	ZLFIZNIPWHKTBQ-UHFFFAOYSA-N	408.527	5.272	30	20	HKED	
N#C[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1cccc(Cl)c1Cl	505329250	BUEDMQSJIZIOEZ-INIZCTEOSA-N	420.683	5.225	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1	506655486	RRTAYNOTXZMWFJ-UHFFFAOYSA-N	405.498	5.306	30	20	HKED	
CCSc1ccc(CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	507576218	AAQQCGWWBXMUIW-UHFFFAOYSA-N	403.507	5.347	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1scnc1C	508478066	PLMSGGVKSQGAEI-QGZVFWFLSA-N	419.554	5.159	30	20	HKED	
C=CCOc1cccc(NC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1	510696833	GJGWYNKCTNIOMI-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1ncc(-c2ccc(Cl)cc2Cl)o1	512294611	KUZHJEFDUDNORV-CQSZACIVSA-N	416.308	6.504	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(-c2ccccc2)cs1	513213920	JSQKNRYHNHXTHY-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)oc1C	513494863	YNLZGKGGOUXYCX-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
CC(C)N(Cc1cccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	513985426	OJCPGWNMBWKEOL-UHFFFAOYSA-N	419.550	5.836	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12	517455428	IDHPLJQTHHOJEK-AWEZNQCLSA-N	420.538	5.557	30	20	HKED	
CC(C)c1ccccc1OCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	519128969	JBVMAILYGDXDLU-XMMPIXPASA-N	414.505	5.149	30	20	HKED	
C[C@H](Oc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cn1)c1ccccc1	519423955	LRXBYQRVCNBOSS-MSOLQXFVSA-N	417.534	5.726	30	20	HKED	
Cc1ccc([C@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)N2CCCC2)cc1	519450847	KXQVBOBMOQWKCD-UGKGYDQZSA-N	422.598	5.205	30	20	HKED	
CCN(CCc1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	521220820	OAXHZIKIGYUDLT-NRFANRHFSA-N	423.969	6.153	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	521813534	XWSJCUBLYKHNBA-ZWKOTPCHSA-N	407.583	5.249	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(OCC(F)F)c1	522549458	TTWJSLQSMGNRRL-UHFFFAOYSA-N	424.472	5.283	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1	522957322	UPLCWQPFCISJEA-HSZRJFAPSA-N	411.505	5.800	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C#N	524330767	BNPSYCBJUKGDAA-UHFFFAOYSA-N	401.491	5.194	30	20	HKED	
Cc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC(F)F	524458492	CUULTFWVOVXGIZ-CYBMUJFWSA-N	419.497	5.238	30	20	HKED	
Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	525845415	NSEOBIRHCVSCOH-NRFANRHFSA-N	417.896	5.190	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	534674120	JCQZDIRJOWKXOL-SFHVURJKSA-N	418.378	5.201	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1)OCC	535126607	XVBQPDBWTYFEPJ-FQEVSTJZSA-N	406.954	5.055	30	20	HKED	
COc1ccc([C@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1	537293885	KOWAOZSVVFRYJH-UPCLLVRISA-N	406.913	5.669	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1OCC(F)(F)F	538197166	DMZAJSMDPQDGGP-UHFFFAOYSA-N	422.712	5.424	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN[C@H](Cc1ccccc1Cl)c1ccccc1	539308369	BIQZENFONNENTG-HXUWFJFHSA-N	409.942	5.175	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(Cl)c(C#N)c1	540468298	WHLOYBUXIDAYLN-UHFFFAOYSA-N	404.857	5.416	30	20	HKED	
CS[C@@H](C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	541226973	FVLLDOMUVIXREV-WKEGUHRASA-N	413.305	5.195	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21	542024386	OQBSGUYQWWKOOO-ANJVHQHFSA-N	403.526	5.488	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)cc1	544221187	NZPHLPMVHQTNOC-NFBKMPQASA-N	418.585	5.172	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(C#N)c1	544445050	WVRXXIBKYSVDAF-UHFFFAOYSA-N	409.820	5.489	30	20	HKED	
CC[C@H](CC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	545493886	GAISAMORVVEERI-LJQANCHMSA-N	407.411	5.140	30	20	HKED	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	560763925	NSPUMNAJNKCRNR-PKOBYXMFSA-N	406.501	5.057	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1	566001425	AYKJNDIQLVYWQH-GOSISDBHSA-N	410.468	5.153	30	20	HKED	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	576676071	BFJFJIFNQNPUBV-HJPURHCSSA-N	400.503	5.103	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)c1sc(CC)nc1C	583593295	TVEODOCPAMPRSR-MRXNPFEDSA-N	418.570	5.204	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(OCCCC)CC1	584160733	OTKVYROJCYHPLV-UHFFFAOYSA-N	414.619	5.240	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c1	589382799	KHHQFSREQZIPJX-UHFFFAOYSA-N	418.468	5.594	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1cccc(C#N)c1	603511296	NAWMTCFTHDVBHY-UHFFFAOYSA-N	415.440	5.281	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1	603532949	IBRCUCBKVPPDGO-HSZRJFAPSA-N	420.871	5.196	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	603968340	LOFKRDDVXKJWDH-UHFFFAOYSA-N	421.909	5.319	30	20	HKED	
CCn1c(S[C@@H](C#N)Cc2ccccc2)nc2scc(-c3cccs3)c2c1=O	604057324	CKPHSQACSHXRHN-OAHLLOKOSA-N	423.588	5.433	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3[N+](=O)[O-])cc2Cl)cc1	604089788	KNWAPOPWGOWEPV-UHFFFAOYSA-N	422.828	5.234	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1	604387659	HKWRGFLCXRBZTC-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	604493730	FZTJYHBRVDDIQW-HNNXBMFYSA-N	410.461	5.129	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1	605362863	WOUGQXNZGBWPDB-LLVKDONJSA-N	412.927	5.508	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)[nH]c12	605363121	JXHFCIDNLWHUMF-HNNXBMFYSA-N	423.444	5.691	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C	609062117	YIDWFXOBLUCRDD-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)s1	609063408	FYQCRDULWUXCMF-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1	609080283	XFJKOQOBCRZOGS-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc(F)c1	609387149	PRXSKUOVLBKLGL-GFCCVEGCSA-N	411.424	5.289	30	20	HKED	
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Oc1ccncc1	609640761	UGKOYAIYSPNNSS-UHFFFAOYSA-N	403.507	5.637	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccnc(C#N)c3)n2)o1	610956567	BOECHBWQNRVGMV-UHFFFAOYSA-N	400.385	5.099	30	20	HKED	
CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1	613377215	AHCBITGGCSLWMV-MRXNPFEDSA-N	420.559	5.226	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc2cc(Cl)ccc2s1	613407285	OWOVBHPDRUNFNQ-INIZCTEOSA-N	418.909	5.503	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(Cl)cccc4s3)n2)cc1	619756454	OHHUAEYQQOZDDS-OAHLLOKOSA-N	424.934	6.177	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCCCC(=O)c3ccc(F)cc3)cn2)c1	681710249	PTQDSNPKYBAKAJ-UHFFFAOYSA-N	417.440	5.266	30	20	HKED	
Cc1ccc2c(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c2c1	726320316	WSUAVMIASZQEAH-OAQYLSRUSA-N	423.472	5.159	30	20	HKED	
C[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)CC(C)(C)C1	727628035	GAWUCCDVNLZNRG-YCPHGPKFSA-N	411.571	5.304	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1	728062864	XDVKFSUVADTGIF-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
COc1ccccc1CC(C)(C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	729553459	QAIWVIPKLOWRAO-QHCPKHFHSA-N	413.521	5.493	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(-c3cccs3)c2)ccc1OC	733628521	ALLSHTMADVUKGX-LJQANCHMSA-N	421.522	5.426	30	20	HKED	
COc1cc(/C=C\C(=O)c2sccc2C)cc(Br)c1OC(F)F	733749182	HELFILZAAUAZLZ-ARJAWSKDSA-N	403.244	5.325	30	20	HKED	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1	734761345	RKYKYIKOTFGRJE-SANMLTNESA-N	405.976	5.068	30	20	HKED	
COC(=O)[C@@H](N[C@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	739996358	CPGBYQYVGMQIAO-MWTRTKDXSA-N	404.897	5.444	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3csc(-c4ccc(F)cc4)n3)c2)s1	740013238	AHMZJFMMDVGPNU-UHFFFAOYSA-N	405.523	5.839	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3c(O)cccc3C2=O)cs1	742435348	TYYSXSFSYPUSPI-SDNWHVSQSA-N	424.909	5.399	30	20	HKED	
CCCCCC[C@@H](C)NN=Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1	743450279	HZNXPDLPUWGIQE-OAHLLOKOSA-N	406.983	5.764	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	743474290	SIEHVZDZOHLNRX-HXUWFJFHSA-N	424.504	5.406	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CCC#N)CC(C)C	745382425	FZFRIYGGQUXAII-UHFFFAOYSA-N	421.925	5.113	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc(C(F)(F)F)cc2)cs1	746577536	GWJDSCDJIILIDT-UHFFFAOYSA-N	418.444	5.601	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(OC(C)C)cc1)[n+]1ccc2c(c1)CCCC2	749659925	SUGAWUNRSZKWTQ-UHFFFAOYSA-O	423.602	5.017	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F	750900400	NSIYEZKWZNDYQQ-QHHAFSJGSA-N	415.751	5.094	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1	757878487	DCQGSTZBMDEEFZ-OAQYLSRUSA-N	405.885	5.200	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](Cc2ccccc2F)c2ccccc2)ccc1OC	759997553	COEDRGMGTQRTIL-VWNXMTODSA-N	418.512	5.589	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1cccc(C(=O)c2ccccc2)c1	762019305	UJWGJVKOINAEIZ-MBSDFSHPSA-N	404.469	5.446	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@@H](C#N)C(C)(C)C)c(OC)c1	765630766	XJRRUBZVHDKQJH-QFIPXVFZSA-N	420.509	5.266	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1NC(=O)OC(C)(C)C	772105770	KXWHENSQZBQYTH-UHFFFAOYSA-N	417.412	5.067	30	20	HKED	
C#CCCCCC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	773286185	UPJPYNQPPRHBGR-UHFFFAOYSA-N	402.416	5.398	30	20	HKED	
Cc1ncsc1/C=C/C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1	777296187	IYNJHQVEQHOMJJ-SGNZVCMHSA-N	409.580	5.266	30	20	HKED	
C=CC[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	778608092	WWHKTIONPJFCOK-HOTGVXAUSA-N	400.425	5.851	30	20	HKED	
N#Cc1ccc([C@@H](O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1	779165740	FQYSCDACCOSDDG-HXUWFJFHSA-N	412.367	5.041	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCCCC1)c1nc2ccccc2n1C(F)F	779194529	NUINAQIVTWTRHB-KRWDZBQOSA-N	411.427	5.649	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	780158083	FRQVMYDDVHHRPR-MRXNPFEDSA-N	406.869	5.462	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1)c1nc2cc(F)ccc2s1	780359761	YVUMHDNMOZSDDJ-LJQANCHMSA-N	402.450	5.358	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1	783735784	NSCDXNAZHVIBLM-GFCCVEGCSA-N	411.474	5.646	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CC2CCC3(CC2)OCCO3)cc1Cl	788435526	JSQWDQSSICSXJA-OAQYLSRUSA-N	424.928	5.257	30	20	HKED	
Cc1nc(Cl)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	788803134	OCRYUUQIMPBASQ-UHFFFAOYSA-N	408.864	5.289	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C	789719518	ROZMPDJTFCVRQH-UHFFFAOYSA-N	420.553	6.088	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCn1c(S)nnc1-c1cccc(C)c1	789887998	HPSNTEZCEYLZDY-UHFFFAOYSA-N	420.582	5.423	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(C(F)F)c1)c1nc(-c2c(F)cccc2F)cs1	790769583	VRCITGUCVKOBHJ-CYBMUJFWSA-N	404.388	5.445	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1OC	792102102	VUBJXYNOMOUOFF-SFHVURJKSA-N	403.482	5.088	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)c(Cl)cc2OC)c1	792453675	MHRTYACSPWRRFV-CYBMUJFWSA-N	408.285	5.005	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C/c2csc(-c3cccc(OC)c3)n2)C(=O)c2ccccc21	802707728	OOJDARMEMBNBIN-NRFGWYQLSA-N	419.502	5.135	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1	809087701	NDXOQUDLYMNJAS-KGVIQGDOSA-N	424.928	5.074	30	20	HKED	
C[C@@H](c1cccs1)N1C(=O)/C(=C/c2ccc(C#N)cc2C(F)(F)F)SC1=S	811624633	LOSUBVGMMVPVBH-SOOGHKCXSA-N	424.494	5.601	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(Br)c1	813217246	JZGAPSVIIVFXOP-ISZGNANSSA-N	409.205	5.061	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccccc1	814313925	QUOJQEJBJXEVRY-GCJKJVERSA-N	407.514	5.101	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1	815788621	KIMVUHIOQOWEAM-NRFANRHFSA-N	423.582	5.376	30	20	HKED	
Cc1cc(NCc2cc(C#N)ccc2Br)ccc1NC(=O)OC(C)(C)C	864032345	NPRUJDQYOMCZAP-UHFFFAOYSA-N	416.319	5.588	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1	915124703	UQRTZHDQNSIISH-HXUWFJFHSA-N	412.345	6.458	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1	916708201	NLOMRLKWVYSIFA-ISKFKSNPSA-N	415.924	6.364	30	20	HKED	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1ncccc1Cl	917549568	UGAVUYHYVTXVRO-UHFFFAOYSA-N	414.218	5.347	30	20	HKED	
Cc1cccc(-c2cc(NC(=O)c3ccccc3OCC#N)n(-c3ccccc3)n2)c1	919991956	XHXRTBOHLWHRQB-UHFFFAOYSA-N	408.461	5.002	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2ccc(F)cc12	920143298	OUZOVJUQRIPMAM-KRWDZBQOSA-N	417.490	5.834	30	20	HKED	
CC(C)n1c(O)nc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc21	1290874499	NNYZNYULFYABDP-NRFANRHFSA-N	410.477	5.231	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	50077507	GLYVVZYXSBHUJI-UHFFFAOYSA-N	401.491	5.061	30	20	HKED	
C=C(Br)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1	59928319	LUGSZEMSXVBETN-UHFFFAOYSA-N	404.308	5.133	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCCc4occc43)c2)cc1	97438329	DMBXLSPPBAHWEG-JOCHJYFZSA-N	401.466	5.124	30	20	HKED	
C=CCc1cc(C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)cc(OC)c1OC	105271235	YQYFMROGRFEHEP-CYBMUJFWSA-N	416.424	5.095	30	20	HKED	
CCOc1c(OC)cc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cc1OC	110623995	ONQQDVVHCBGMDI-SFQUDFHCSA-N	421.518	5.439	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1ccccc1F	218293695	PVWSOCGIEUBROR-UHFFFAOYSA-N	415.444	5.307	30	20	HKED	
CN1CCC[C@H](CNc2snc(Cl)c2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1	301267258	FTWGLKCBWIWWPZ-DOMZBBRYSA-N	414.884	5.182	30	20	HKED	
CN1CCC[C@H](CNc2snc(Cl)c2C#N)[C@H]1c1ccc(C(F)(F)F)cc1	301267259	FTWGLKCBWIWWPZ-IUODEOHRSA-N	414.884	5.182	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1	303116418	LYFDDWPGUHDRGJ-UHFFFAOYSA-N	410.376	5.213	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428207292	VHLPYJIHGWZWSE-UHFFFAOYSA-N	412.493	5.045	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc(C)cs1	430518993	HWXKOHJHEZWMLT-LLVKDONJSA-N	420.321	5.856	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(OCC2CC2)c(F)c1	431296252	TYNUNTFWSUGDMD-VGSWGCGISA-N	409.505	5.410	30	20	HKED	
N#C[C@@H]1CN(C(=O)Nc2c(F)cccc2Oc2ccccc2)C[C@H]1c1ccccc1	433165992	JIRMLFBWQVQKLX-QUCCMNQESA-N	401.441	5.389	30	20	HKED	
N#C[C@@H](CCc1ccccc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	433226156	LNLRBXZPLFJXFC-ISKFKSNPSA-N	407.517	5.189	30	20	HKED	
COc1ccc(C#N)cc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1	435142370	GQUYOZSDFWXLJP-UHFFFAOYSA-N	422.293	5.128	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	436331020	FGOOSRCRXREOOT-BTJLNZGRSA-N	405.445	5.176	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	439112199	BGKOLBMPXWWLEU-UHFFFAOYSA-N	410.304	5.411	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2ccccc2)C[C@H]1C	439313258	HFKPQIJGXPKAKX-SBHAEUEKSA-N	407.583	5.145	30	20	HKED	
N#CCC[C@H](NC(=O)CCSc1ccnc2cc(Cl)ccc12)c1ccccc1	439675119	ZAIVGHJBFVQPBS-IBGZPJMESA-N	409.942	5.532	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)NCC1CCC(C#N)CC1	441006946	GKOUKXOFJUIXAI-UHFFFAOYSA-N	408.546	5.026	30	20	HKED	
CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CCC2	442055957	KWMFZFYQQUAQKB-AWEZNQCLSA-N	424.448	5.017	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C	446000390	BXVARMFZJCJHEI-IRWQIABSSA-N	419.447	5.040	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)c(F)c1	446176062	DPWCXSMUBDMVHF-UHFFFAOYSA-N	409.339	5.231	30	20	HKED	
Cc1sc(CCNC(=O)c2ccccc2-c2ccccc2C#N)nc1-c1ccccc1	461473945	JMWWWBKNXYOJQS-UHFFFAOYSA-N	423.541	5.630	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1	462047329	ZVRUBYSIBWWKDP-FQEVSTJZSA-N	423.340	5.318	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)c2)cc1	462244533	HCHLSIKTWFGYOG-URXFXBBRSA-N	413.477	5.392	30	20	HKED	
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	463820980	PRAYDSFKVXERGD-HXOBKFHXSA-N	403.913	5.348	30	20	HKED	
CCCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](c1ccc(F)cc1)c1cccnc1	464053047	RAHGQRXXIWVPLZ-MHECFPHRSA-N	401.485	5.224	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C(C)(C)C)no1	464920842	WYXGUGDEQKHBJA-ZDUSSCGKSA-N	424.888	5.175	30	20	HKED	
CC(C)CN1CC[C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	465154597	JQPGYWOFDFAJOL-XMSQKQJNSA-N	424.976	5.095	30	20	HKED	
CN(Cc1nccn1CC(F)(F)F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	468540431	BXKJAHQQHYONEM-CYBMUJFWSA-N	419.291	5.200	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(C(F)(F)F)ccc1F	471227617	KNHADXMRTJEOMC-UHFFFAOYSA-N	415.236	5.300	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(OCCCC#N)c1	474967331	NAEBBJWMMDBULZ-UHFFFAOYSA-N	409.873	5.492	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1	481237039	MCHLASZKLLHKLA-DEOSSOPVSA-N	420.532	5.480	30	20	HKED	
CCS[C@@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	481324513	XEGLJUHIHGWAMJ-JOCHJYFZSA-N	423.582	5.585	30	20	HKED	
Cc1ccccc1-n1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1	482479920	MXOWMNYCGNFGPU-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ncc(Cc2cccc(F)c2)s1	482660806	RYZVYTTYUQDHOJ-UHFFFAOYSA-N	413.477	5.664	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	483022755	PTPIVTGAHCYSEG-QRWLVFNGSA-N	415.459	6.122	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c3c(C)noc3n2)cc1	483245852	RJYLSRQKBKWAPS-OAQYLSRUSA-N	418.456	5.545	30	20	HKED	
N#C[C@H](C(=O)c1cc2[nH]ccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1	483485225	MCNMXALJLVOWQU-LLVKDONJSA-N	418.330	6.150	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc2ccccc2n1CC(F)(F)F	485690019	ABDXWYDOUCWLPJ-UHFFFAOYSA-N	400.444	6.308	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	489420402	YMYMODVHDUDRDT-UKILVPOCSA-N	416.569	5.679	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)c1ccccc1	489677196	NPJKEOGRKBPJHG-OAQYLSRUSA-N	406.526	5.010	30	20	HKED	
N#CCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1	497352897	UXIMOYSFIIEUTC-UHFFFAOYSA-N	420.856	5.031	30	20	HKED	
CCCCc1ccc(-c2csc(NC(=O)c3cc(C#N)c(SC)nc3O)n2)cc1	497881946	JNSYLPMDVLKOTA-UHFFFAOYSA-N	424.551	5.099	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccccc2COCc2ccccc2)cc1	500018208	WJFROHZRTOPCRA-UHFFFAOYSA-N	402.519	5.147	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1	502628428	QSWPETBTIDWVAJ-KRWDZBQOSA-N	414.571	5.537	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	503341627	HVIRCOGLCUGHPR-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccc(OCc2ccccc2)cc1	505336395	BHKQWODFCIKPPS-PKTZIBPZSA-N	414.530	5.226	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(OCc2ccccc2)cc1	505343899	MWUPYXKYZNDDMO-NJYVYQBISA-N	416.443	5.315	30	20	HKED	
N#C[C@@H](C(=O)NCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505454709	CUQJLPPJKNPUTF-HNNXBMFYSA-N	402.306	5.040	30	20	HKED	
C[C@H](NC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccc(Cl)cc1	510188962	HFPSSRUJZQIDDX-HNNXBMFYSA-N	407.926	5.243	30	20	HKED	
C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)CCc1ccc(C#N)cc1	512340336	JDZMMAQEMDRHDV-CALCHBBNSA-N	423.944	5.186	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(F)cc2)cc1	513061901	DGGDUSTWBWTBLY-QHCPKHFHSA-N	417.484	5.547	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CC1	513770365	YPPPJBPBTREIMF-NSHDSACASA-N	409.342	5.197	30	20	HKED	
Cc1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1Cl	533190362	DJDACEQXBYLZHD-UHFFFAOYSA-N	412.276	5.400	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccc(Cl)cc1	533251246	WYTIYEOKMDYPFR-INIZCTEOSA-N	401.963	5.052	30	20	HKED	
Cc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1[C@@H]1CCC[C@H](C)C1	533887089	ADAWHKHYLNPXTM-FUHWJXTLSA-N	421.570	5.181	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)CCc3ccc(C#N)cc3)c2C)c1	535972697	NXBRJVOPJHCYTM-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccccc1CCC(F)(F)F	537316215	SRSLDBSZMOZVSD-UHFFFAOYSA-N	424.316	5.108	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1	538523306	QJXHEDFPWURIJQ-UHFFFAOYSA-N	415.440	5.519	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1	540421797	RKBNZUFKJJDJQI-UHFFFAOYSA-N	409.514	6.098	30	20	HKED	
C[C@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1ccc(-c2cccc(C#N)c2)cc1	541157490	SCYDYWWUJMSVEV-HTAPYJJXSA-N	417.534	5.131	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1nc2ccccc2s1	542128063	HMEURRDGKLGNDS-INIZCTEOSA-N	418.424	5.296	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	542957326	LIHYCTLIPKVJQV-JLTOFOAXSA-N	423.879	5.151	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nc(Cc2ccccc2)cs1	544272012	HBBJDOAKUQNIBU-RTWAWAEBSA-N	402.523	5.038	30	20	HKED	
CC1(C#N)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cccs2)CC1	549562011	AQAIUIXZQZDHAL-UHFFFAOYSA-N	419.598	5.482	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)nc(-c2ccc(Cl)cc2)n1	550640792	CQFOJYWIXLSXNH-OAHLLOKOSA-N	416.790	5.009	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)ccc2C)c1	552049820	DQCOGQFZYVGMHU-UHFFFAOYSA-N	401.441	5.172	30	20	HKED	
C[C@@H](NCc1cc(C#N)ccc1Br)c1ccc(OCc2cccnc2)cc1	555577966	LUKYQXLVNYUJNA-MRXNPFEDSA-N	422.326	5.146	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(-c2ccccc2Cl)n1	555963400	KUOUJEHYANDYFL-UHFFFAOYSA-N	419.893	5.775	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@H](C)c1nccs1	558998825	BRLQFDOBWOGQRS-KRWDZBQOSA-N	413.616	5.151	30	20	HKED	
C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CC#N)CC1	559005977	BHZFHSLBXUATJP-UHFFFAOYSA-N	411.962	5.519	30	20	HKED	
C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H]1c1csc(C)n1	562022857	QBGSBKLIXJXKJL-QGZVFWFLSA-N	419.476	5.256	30	20	HKED	
COc1ccc([C@@H]2CCCCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	567497804	OHVYOLWLYDLNEF-NRFANRHFSA-N	423.582	5.063	30	20	HKED	
N#CCc1ccc(NC(=O)NCCCCSc2ccccc2Br)cc1	573619611	QTWDDCHZDGRDDE-UHFFFAOYSA-N	418.360	5.209	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	577255716	OAWBYUVRUXJTHQ-UHFFFAOYSA-N	420.881	5.551	30	20	HKED	
C=CCOc1cccc(CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1	583644908	ZMUYKWZEBPSDKI-SFHVURJKSA-N	404.485	5.494	30	20	HKED	
COc1ccc2[nH]c(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2c1	590536687	MWEWXJDLKBJPSS-UHFFFAOYSA-N	413.502	5.593	30	20	HKED	
C=CCN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1nc2c(s1)CCCC2	591666458	FPAGRWVWNBRDBI-UHFFFAOYSA-N	413.930	5.092	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1ccc2ccccc2c1	596131806	MPTMTTAIUHVDIY-KRWDZBQOSA-N	402.519	5.836	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3ccc4ccccc4c3)c2)c1	603995324	CMRRPPWDCLUZEN-UHFFFAOYSA-N	405.457	5.145	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)cc2)cc1	604460732	WMSISTSTDOVDLH-HSZRJFAPSA-N	417.465	5.157	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)nnc1C1CC1	607757723	YYLIKVQPMMNOBU-INIZCTEOSA-N	405.523	5.497	30	20	HKED	
CCOc1ccccc1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	609017975	LVDSCCJKLHTXST-UHFFFAOYSA-N	416.546	5.222	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccccc2)nc1	609061244	XLRXTIGOURHZSJ-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(F)c1	609063217	QJXQPIBBKLUCFO-UHFFFAOYSA-N	410.832	5.191	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccn1	609207798	MVBQFEYNXQUDAS-XMMPIXPASA-N	414.509	5.504	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	609317993	GWXOKDTWACFAEN-UHFFFAOYSA-N	416.403	5.408	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	609439111	ZIADEDBGTHWPAL-LAUBAEHRSA-N	409.555	5.849	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)cc2)nc1	609497602	NEGKVUKPIVXEAA-QFIPXVFZSA-N	403.869	5.280	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	609683362	RMEXWIFNQHECFU-GCJKJVERSA-N	424.504	5.220	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2)cc1	609928945	OFRGQVZVSHFPSN-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
CS[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	610047572	HAGAMUIVBWBEQI-JOCHJYFZSA-N	406.482	5.319	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)sc2c1	610054044	KULDNOQINRVPCE-UHFFFAOYSA-N	420.925	5.790	30	20	HKED	
C[C@H](C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F	610220666	JWNJXKAJXCZHOH-LBPRGKRZSA-N	401.413	5.443	30	20	HKED	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cccc(C#N)c1	610361997	NJUTTXHIYIDTAR-OAHLLOKOSA-N	403.463	5.109	30	20	HKED	
C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1cccc(C#N)c1	610362461	DBRXRXDTYYXPKV-QGZVFWFLSA-N	411.480	5.656	30	20	HKED	
Cc1cnc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(Br)c1	611094400	ISKDYVDHSARWIN-UHFFFAOYSA-N	424.323	5.428	30	20	HKED	
N#C[C@@H](C(=O)c1coc(C2CCCCC2)n1)c1nc2cc(C(F)(F)F)ccc2s1	670115909	HHYUTGMUZQYEJI-ZDUSSCGKSA-N	419.428	5.841	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2c1	680369017	XXDQYOYCGHXNJQ-OAHLLOKOSA-N	405.251	5.542	30	20	HKED	
COc1cc2c(cc1NC(=O)CSCc1ccc(F)cc1C#N)oc1ccccc12	728592159	YTUTWHNSAPHKGA-UHFFFAOYSA-N	420.465	5.477	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccccc2C(F)(F)F)cc1	729888771	OJCWBMUSRKRRCF-KDOFPFPSSA-N	402.416	5.109	30	20	HKED	
O=C(/C=C\c1ccc(-c2nc3ccccc3s2)o1)c1ccc(C(F)(F)F)nc1O	731564975	WWHVAFPUYGZBGL-YVMONPNESA-N	416.380	5.572	30	20	HKED	
Cc1ccccc1[C@H](O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	732876923	KZQIZYQCNJSXHM-JTHBVZDNSA-N	419.912	5.159	30	20	HKED	
N#C[C@H](C(=O)CCn1c2ccccc2c2ccccc21)c1nc(-c2ccncc2)cs1	734083795	TWMIGCYDXDDOCE-HXUWFJFHSA-N	422.513	5.580	30	20	HKED	
COc1ccc(-c2cnc(CSCc3cc(Cl)ccc3OCC#N)o2)cc1	735319840	FUSBGRBRAQQUAD-UHFFFAOYSA-N	400.887	5.339	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	736955117	FJVLQWJMRPVYLW-WSUBETFTSA-N	413.496	5.891	30	20	HKED	
COc1cc(COC(=O)[C@@H](C)c2cccs2)ccc1OCc1cccc(C#N)c1	738784748	QBKADVWWRISNNB-INIZCTEOSA-N	407.491	5.054	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	739157855	XXKMFYDXTDQKNG-NHYWBVRUSA-N	422.859	6.024	30	20	HKED	
CCOc1c(CNCc2cccc(-c3ccc(C#N)s3)c2)c(C)nn1CC(C)C	740013325	DHKDCOWXECSDAT-UHFFFAOYSA-N	408.571	5.136	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C/C(=O)c1c(C#N)c2n(c1C)CCC2	740765822	VNHWFFNSMMKKKQ-ZHACJKMWSA-N	418.928	5.026	30	20	HKED	
COc1cccc([C@H](NC(=S)Nc2ccccc2C#N)c2ccccc2Cl)c1	741494623	BNGWZNPEYSBSFC-NRFANRHFSA-N	407.926	5.296	30	20	HKED	
CCC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1c(C)nn(C)c1C	741838805	ZBNDUYMEBLXLBE-UHFFFAOYSA-N	404.543	5.243	30	20	HKED	
COc1ccc2sc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c(C)c2c1	741903723	SUWSYHCPUCKAQG-QFIPXVFZSA-N	412.514	6.126	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Sc1ccccc1	743092682	AJXNPJWNRWACOH-JPYJTQIMSA-N	401.535	5.644	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CSCc2cc(-c3cccs3)on2)n1	747196525	LZGNHTVIXMGKOD-CYBMUJFWSA-N	403.554	5.093	30	20	HKED	
N#CCC[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1	749166454	XCCSKLUXWZYQHH-JTQLQIEISA-N	403.096	5.470	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cnc(-c2ccncc2)s1	753142819	AAMKYUJFVWFZEK-SREVYHEPSA-N	407.495	5.672	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)c3cccc(OC)c3)n2)cc1	753395703	KKPXHTDWWJTGIL-QRWLVFNGSA-N	406.507	5.197	30	20	HKED	
COc1cccc([C@H](C)CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	753397620	OWVGLVSQQOOUSJ-CJNGLKHVSA-N	412.461	5.467	30	20	HKED	
CC(C)N(Cc1nc2ccccc2c(=O)n1CC#N)c1ccc(Nc2ccccc2)cc1	755110713	SYZRAPWYYYJUPC-UHFFFAOYSA-N	423.520	5.079	30	20	HKED	
COc1ccc(OC)c(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)c1	757613864	MBNSOHSCHDJXOA-NSHDSACASA-N	422.268	5.172	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2c[nH]c3ncccc23)cc1OC	761812242	JNAVRLUYAKHOOP-SREVYHEPSA-N	415.287	5.019	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCC(C)(C)CC#N	764834560	SLTCDBLFNPPLTC-UHFFFAOYSA-N	408.882	5.198	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccnc(OCC(F)(F)F)c2)cc1	764932223	ZQBLGDNKVYVJHS-AWEZNQCLSA-N	400.828	5.005	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	767885051	WVZXTNZOVSCRQG-HOCLYGCPSA-N	403.404	5.018	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC1(CSc2ccccc2)CC1	770838632	KGYFCJSEZKRTBQ-OAQYLSRUSA-N	420.578	5.421	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cc(Cl)c1O	771100381	XTFGLAUNEUBSMW-YERXGYGTSA-N	420.864	5.037	30	20	HKED	
N#CC(CCOC(=O)c1ncccc1C(F)(F)F)(c1ccccc1)c1ccccc1	771110654	STDWCOONJXBRTD-UHFFFAOYSA-N	410.395	5.157	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(F)cc2Br)cc1	776781542	JTHOGUYOSHQTKV-FQEVSTJZSA-N	423.285	5.425	30	20	HKED	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1N[C@@H](C)c1ccc(OCC#N)cc1	777630910	UCAOFXJSSQLIQM-NSHGMRRFSA-N	405.542	5.189	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(Br)c1Cl)c1ccc(Cl)c(Cl)c1	780023740	NIFUFCQRXUAHIV-CYBMUJFWSA-N	418.505	5.404	30	20	HKED	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782754160	UQVWGNLGTRWKQB-IRXDYDNUSA-N	415.493	5.061	30	20	HKED	
O=C1/C(=C/c2ncc(C(F)(F)F)s2)CCc2nc(-c3ccc(F)cc3)sc21	788353562	AHTGLNXEMHYUIT-JXMROGBWSA-N	410.417	5.637	30	20	HKED	
COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	796798900	RZJFDUJXCJWYAK-JXFKEZNVSA-N	418.518	5.213	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1	799087639	VNAPGCZKUBLRIE-HAQNSBGRSA-N	414.119	5.848	30	20	HKED	
O=C(/C=C/c1ncc(C(F)(F)F)s1)c1c[nH]c2ccc(Br)cc12	811697772	MUCXFVUAKQGGAN-ONEGZZNKSA-N	401.207	5.302	30	20	HKED	
N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1cc(C(F)(F)F)ccn1	813215937	MDXIJTYLRPFCLI-LBPRGKRZSA-N	417.214	5.443	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=Cc3conc3Cc3ccccc3)nn2)c1	814926943	QPGAZXPKWOYTDJ-UHFFFAOYSA-N	423.398	5.187	30	20	HKED	
CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(F)cc2)s1	839403554	OVJFMGOHPQETRZ-UHFFFAOYSA-N	424.526	5.382	30	20	HKED	
COc1ccc(C=NNc2ccc(OC(F)(F)F)cc2)cc1OCc1cccnc1	915048156	AILIGNOBKLUBJY-UHFFFAOYSA-N	417.387	5.014	30	20	HKED	
O=C(/C=C/c1ccccc1OCc1ccccn1)c1sccc1Br	915115113	XQGROFUXYYZEKK-CMDGGOBGSA-N	400.297	5.381	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OC(F)F)cc1	915353430	NIKPMRASJPQUBD-AOMKIAJQSA-N	421.447	5.826	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCSc2ccc(OC)cc2)cc1	916955087	MJMDBTTZNKNBAP-IERDGZPVSA-N	410.539	5.038	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	917026833	PJDCSECCGSIZFV-IUODEOHRSA-N	417.317	5.761	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(CN2CCCCC2=O)cc1	917716496	CSYVCPNIJDZBBR-UHFFFAOYSA-N	415.518	5.052	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1	918487073	JTUZBKASYFZXHA-UWJYYQICSA-N	416.452	5.459	30	20	HKED	
Cc1cccc2c1OC/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O	920066479	DCVMHPLTPBBQPU-SFQUDFHCSA-N	403.865	5.559	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C5CC5)cc4)CCC3)cc2)C1	1785810495	VYOTTWVMEARSRS-UHFFFAOYSA-N	400.522	5.278	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)C1	1788722005	VFSZWGXXQYJHHR-UHFFFAOYSA-N	418.415	5.012	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)[nH]n1	1814440650	YFFPCYFLNXVQED-INIZCTEOSA-N	424.536	5.076	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1	1831376969	XWPPLDIUSPJAMC-XMSQKQJNSA-N	416.993	5.094	30	20	HKED	
C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1	1831859758	JMEZCTVANNBKDX-RUZDIDTESA-N	416.565	5.163	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccccc2CC)cc1	10174410	BKGWLZUQHKFSHG-UHFFFAOYSA-O	417.598	5.712	30	20	HKED	
O=C(CCC(=O)Nc1cccc(C#Cc2cccs2)c1)CCC(=O)c1cccs1	32962854	OYHLOPVYBHJHRY-UHFFFAOYSA-N	421.543	5.160	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cccs2)c1)c1ccc(C(F)(F)F)cn1	41552115	BMYCPROBBCNGSU-QGZVFWFLSA-N	402.397	5.231	30	20	HKED	
CCC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	44794122	OBJGZEMZEWXMRX-UHFFFAOYSA-N	401.491	5.310	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	56213603	DKTDONZQDPHVKL-UHFFFAOYSA-N	404.470	5.135	30	20	HKED	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	72068857	QPUYXFGFEDZHPK-HXUWFJFHSA-N	405.841	5.464	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C	72085077	LHWCVZXDDGXTCG-UHFFFAOYSA-N	406.869	5.213	30	20	HKED	
O/C(=N\c1nc(-c2ccccc2Cl)n[nH]1)c1cc(-c2cccc(Cl)c2)on1	97334966	ALHUTMHMPGUMNN-UHFFFAOYSA-N	400.225	5.070	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3cccc(Oc4cnccn4)c3)c2)c1	237856171	DXJPCEZVQQGLNP-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
C[C@H](NC1(CNc2c(C#N)cnc3ccc(Cl)cc23)CCOCC1)c1ccccc1	301598357	XPWXMSIMVOUNPC-KRWDZBQOSA-N	420.944	5.072	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3c(F)cc(Br)cc3F)c2C#N)C1	325339088	XOBRVYRDLHKHJA-MRVPVSSYSA-N	411.271	5.038	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@H](c2ccccc2F)C1	410284705	BQPJQMCYPHSZIP-SFHVURJKSA-N	402.494	5.478	30	20	HKED	
CN(Cc1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCCC1	432750059	JYJFOVQEUDCGCK-XMMPIXPASA-N	418.585	6.008	30	20	HKED	
C[C@]12CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C[C@H]1C2(F)F	432771202	JSYQPTGLTXXIAC-QUCCMNQESA-N	417.843	5.513	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2ncc3n2CCCC3)CC1	433856182	GFFATSQBVZQKIY-UHFFFAOYSA-N	406.574	5.483	30	20	HKED	
Cc1oc(C#N)cc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	436142422	DKAFPJRXIXSUQM-UHFFFAOYSA-N	400.265	5.004	30	20	HKED	
N#Cc1csc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	437397432	ZCNQQDJGWJXVMI-GFCCVEGCSA-N	404.303	5.540	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	437515655	GHFVGENVPNIFDW-VFNWGFHPSA-N	420.513	5.360	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	437741658	DFPWWRKEVFTRBI-RBUKOAKNSA-N	412.331	5.370	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	439803802	GMRFVZODSAGPAP-IBGZPJMESA-N	414.505	5.473	30	20	HKED	
C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cc1nnc(-c2cccc(C#N)c2)o1	441063914	PAGFZAUGEAJJMV-AFMDSPMNSA-N	420.516	5.187	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1ccc(C(F)(F)F)cc1	441533592	YXUJFPOOMATSKC-NRFANRHFSA-N	424.507	5.846	30	20	HKED	
Cc1cc(CSc2nnc(-c3ccccc3C)n2Cc2ccco2)ccc1C#N	447306984	SXXZZDRIDJIUBQ-UHFFFAOYSA-N	400.507	5.367	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n1	447393766	FELDAZHXRLCJPQ-SFHVURJKSA-N	407.514	5.209	30	20	HKED	
CCCc1noc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	462171358	RDXMVULJFPZEBT-UHFFFAOYSA-N	402.376	5.317	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1	462918339	HLMILNOKDGTCKH-GMAHTHKFSA-N	414.530	5.360	30	20	HKED	
CN(C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463662733	UKXZVTODEGZZGD-OSMZGAPFSA-N	418.328	5.331	30	20	HKED	
C[C@@H](C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1cccc(C#N)c1	463941898	FOLMMXYNDOCREZ-ACJLOTCBSA-N	415.356	5.120	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1	464975012	WOVNMTBXPPUKPE-NRFANRHFSA-N	412.489	5.297	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)c1	466384750	ZQUGFZYFTQGIIT-QGZVFWFLSA-N	406.576	5.612	30	20	HKED	
CC[C@@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC[C@@H]1c1ccccc1	470010958	DRDMQDORDLNNOZ-APWZRJJASA-N	405.567	5.208	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1	470683249	PMQONCVLESQCPS-NHCUHLMSSA-N	420.900	5.114	30	20	HKED	
COCCCC[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1	472458248	XECGTQLHUHEYFR-KMDXXIMOSA-N	405.542	5.026	30	20	HKED	
COc1cc([C@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OC1CCCC1	474911193	UJPLASGQZXROMU-KRWDZBQOSA-N	406.526	5.309	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1	475562684	ORXDQTYPKRSSQI-RDGATRHJSA-N	406.570	6.136	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1cccc(OCc2c(C)noc2C)c1)c1ccc(F)c(F)c1	475688895	GUQMJSMRTDMRRK-JOCHJYFZSA-N	412.436	5.196	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CC(=O)N(CC)CC)cc1	480480564	LBIPUTGUSNMQTN-UHFFFAOYSA-N	419.978	5.033	30	20	HKED	
N#Cc1cccc(CN[C@@H]2CCCc3nc(-c4ccccc4Br)sc32)c1	480787605	DXHJOFWTDRVXAA-GOSISDBHSA-N	424.367	5.611	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nccc2ccccc12	483242902	XYSSDZLBUSEXQP-OAHLLOKOSA-N	424.357	5.068	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1nc2c(cc1C#N)CCCC2	484171908	ZWHFAUUBVVDNQZ-UHFFFAOYSA-N	414.943	5.231	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12	494380012	ZGHVFBYLYDHOAS-UHFFFAOYSA-N	420.488	5.308	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(c2ccncc2)CCCC1	502015814	VQWJQDNAHKDCAR-UHFFFAOYSA-N	413.546	5.346	30	20	HKED	
N#Cc1cccc(OCCCCc2nc(-c3cccnc3Oc3ccccc3)no2)c1	504816037	BLELNXHWDJAXRH-UHFFFAOYSA-N	412.449	5.197	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1	508277967	JDNYUDBRJGIXDD-FQEVSTJZSA-N	413.477	5.381	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](c3cccc4ccccc34)C(F)(F)F)o2)c1	510419459	ICFYDGZHGQQTPZ-HXUWFJFHSA-N	408.383	5.155	30	20	HKED	
COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1OC(F)F	511147043	ZXGQVOUPVZMIMZ-UHFFFAOYSA-N	400.406	5.149	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](C)c1ccc(C#N)cc1	512109201	WFSWMNQRZJXYAN-CHWSQXEVSA-N	409.839	5.298	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1C(C)C	512721278	STLZCFOTJLSSGL-SFHVURJKSA-N	420.534	5.749	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccn3Cc3cccs3)n2)cc1	516074443	UZWLBRKBNGPEHC-GOSISDBHSA-N	403.532	5.520	30	20	HKED	
C=CCOc1ccc(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1	518265206	RBVPTCBWJUQKKO-UHFFFAOYSA-N	405.460	5.108	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccccc5c4C3)cc2)cc1	519989217	HYBIVPSEDGIALN-UHFFFAOYSA-N	408.461	5.422	30	20	HKED	
CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)CC1	520197296	BYGAHDRCJKMZQO-UXHICEINSA-N	414.619	5.057	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CSc2ncc(C(C)C)n2C(C)C)cc1	523498924	KZGFSQDJMNXHNZ-UHFFFAOYSA-N	414.575	5.025	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccn(CC(F)F)n2)cc1Cl	527331947	GJYMQPDDCYFPPH-MRXNPFEDSA-N	415.831	5.101	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)C1	533870990	SGWKJTNXGNQBTI-PZPWOCDFSA-N	417.962	5.205	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(C(C)(C)C)sc1C#N	535255038	ZQRVCICGCOBQTJ-UHFFFAOYSA-N	413.524	5.385	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2o1	539872666	JZAOAHFIVMWQLB-INIZCTEOSA-N	401.491	5.409	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1sc2c(c1C#N)CCC2	542940879	LIKYIEMZUYEBAV-UHFFFAOYSA-N	417.412	5.343	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)s1	543487396	NDNGAYNDCKXAQB-UONOGXRCSA-N	407.992	5.475	30	20	HKED	
N#Cc1ccc(Br)c(C[S@](=O)C(c2ccccc2)c2ccccc2)c1	549682413	QSVVWCKLTZJNPL-VWLOTQADSA-N	410.336	5.359	30	20	HKED	
CC(C)(CCC#N)CNC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12	554261749	NXPJCMCZYTTYAZ-IBGZPJMESA-N	422.960	5.582	30	20	HKED	
C=CCC[C@@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1	558723424	DOYJJNLYHPWFDF-XMSQKQJNSA-N	416.487	5.465	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1cccnc1	559981307	CVLDIYICTZWCLM-CYBMUJFWSA-N	412.469	5.124	30	20	HKED	
C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	569054204	OEFDFMNMYSIAST-LJQANCHMSA-N	414.340	5.098	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cc2cccc(F)c2o1	570488446	ATMLTONFPXXKGJ-AWEZNQCLSA-N	416.412	5.514	30	20	HKED	
CC(C)c1ccc([C@H](CNC[C@@H](C#N)CCC#N)N2CCc3sccc3C2)cc1	581655061	NZKOFPLIYDLLMA-XXBNENTESA-N	406.599	5.004	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccnc(Oc4ccccc4)c3)c2)c1	603682128	UYXUBKBDSJXJKH-UHFFFAOYSA-N	421.500	5.614	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1	604003870	MYGKRXHAQRBUHW-UHFFFAOYSA-N	424.422	5.532	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1	604075903	AJDFPFJOYFBLIT-NRFANRHFSA-N	410.304	5.454	30	20	HKED	
C=CCN(C(=O)c1ncoc1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	606763133	YNYYSPQKIPNBMY-UHFFFAOYSA-N	408.310	5.500	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)cc2)c1	609063571	DMALJTNUHWMCBB-UXHICEINSA-N	402.416	5.444	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1	609125461	RAJJOQROSGRFAC-UHFFFAOYSA-N	407.476	5.266	30	20	HKED	
N#CCn1c(C(=O)Nc2cccc(COCCc3ccccc3)c2)cc2ccccc21	609167525	AVPRSAOBRLFCLP-UHFFFAOYSA-N	409.489	5.176	30	20	HKED	
C[C@H](SCc1ccccc1)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	609173071	LAKVWGCZBBGQIO-YADARESESA-N	416.546	5.268	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	609375418	ONSDFTXZKKZHJR-UHFFFAOYSA-N	422.937	6.177	30	20	HKED	
C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)CCCCC#N)[C@@H]1C	609465201	KUUTXPOTZCWUKC-JXXFODFXSA-N	414.974	5.129	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)c1	609641489	YXLXNYJZFDBERJ-UHFFFAOYSA-N	419.484	5.375	30	20	HKED	
COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	610182466	VTFINFLNHFQYSV-AOYPEHQESA-N	412.489	5.014	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2	610598305	HKYOZMVKWOFCCY-GOTSBHOMSA-N	424.548	5.188	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCc1ccc(C#N)cc1F)C1CC1	610664007	OOGVROUNVUUSPR-CYBMUJFWSA-N	405.395	5.151	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CSc3nccc4ccccc34)cn2)cc1	610799031	QUZGNBWDXQEISB-UHFFFAOYSA-N	412.474	5.025	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1sc(-c2ccccc2)nc1C(F)F	611184719	MLEBNSAEXMJOKZ-UHFFFAOYSA-N	411.477	5.670	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)nc2ccccc21	612894716	KIYVWDLHBQNDAT-FQEVSTJZSA-N	415.880	5.296	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)cc1Cl	726627876	VRUSVAQLZITLCE-VIZOYTHASA-N	424.856	5.636	30	20	HKED	
CCCCOc1ccc(C=NOCc2nc(-c3ccsc3)oc2C)cc1OC	726787007	FITUFQDBECMASQ-UHFFFAOYSA-N	400.500	5.450	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3c(Cl)nc(Cl)n3C)s2)cc1	728439603	BKTJWXGNDOWQHN-HJWRWDBZSA-N	408.310	5.064	30	20	HKED	
CC(C)(C)n1cc(CNCc2ccc(OCC#N)cc2)c(-c2ccccc2Cl)n1	731217617	IJSJLIQKTGUKBK-UHFFFAOYSA-N	408.933	5.151	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=S)Nc3ccc4c(c3)OCCCO4)cc2)c1	731317490	GOCUDEXAEWBSOD-UHFFFAOYSA-N	417.490	5.321	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1	733773205	VIVSMBWWIORRNG-KBAYOESNSA-N	403.309	5.094	30	20	HKED	
N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccncc2)cs1	734082757	GVHUVALYMVAISE-HZPDHXFCSA-N	401.413	5.118	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2cccc(OCc3ccccc3C#N)c2)cs1	736795082	DYLSCLBQOJTEFQ-MRXNPFEDSA-N	422.506	5.048	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(SC)cc3)n2)cc1	741113548	SUWJCOOXUGXFDS-KUHUBIRLSA-N	424.547	5.184	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F	741556787	XALJGGVVKHZKCY-MRXNPFEDSA-N	411.427	5.334	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	743086177	WTVDMSGMJYVXPU-UHFFFAOYSA-N	418.428	5.126	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Br)ccc2C)cc1	744032559	GXWWOCIXLRGQMB-BFUOFWGJSA-N	413.315	5.232	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC2(CC#N)CC2)c(OC)c1	744275721	TWRIQROMWHELRT-UHFFFAOYSA-N	418.493	5.022	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1c(C)nn(-c2ccccc2)c1C	746488870	MTFUXYJZCLLDNV-UHFFFAOYSA-N	424.430	5.287	30	20	HKED	
COc1ccc([C@@H](C)C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	747631762	WKVCAONMHLPYPB-ZDUSSCGKSA-N	415.419	5.158	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)c1ccncc1	748973350	VLNWCEMNCLEVKP-PKTZIBPZSA-N	423.919	5.922	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	752183732	GYAQTPTXBVVHNA-TYCQWZJGSA-N	405.523	5.037	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	752279427	JZNJOIXYBVGGOJ-UZLBHIALSA-N	422.575	5.154	30	20	HKED	
CCOc1ccc(C=NO[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)cc1OC	752753675	IIWFFMOIKSTZBC-CQSZACIVSA-N	400.862	5.514	30	20	HKED	
C/C(=C\c1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	756517165	ZBHDWZZUNSPXGV-ZHZWZMEUSA-N	407.684	5.398	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)cc2O)cs1)c1ccc(F)cc1F	757476864	VCMJURWWALZAFD-VMPITWQZSA-N	414.433	5.016	30	20	HKED	
C[C@H](OC(=O)c1ccc(CC#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21	758696380	OPNUSCAYZMFNMQ-INIZCTEOSA-N	414.486	5.127	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C1CC1	762935411	FZNRZBAHQLJCSO-VGOFRKELSA-N	413.525	6.031	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1=S	765000241	HQKGVWADGUINHL-YLJYHZDGSA-N	423.561	5.027	30	20	HKED	
C[C@@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl	765138551	OEJGJFZKFQJPGD-GBXCKJPGSA-N	419.912	5.025	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	766580761	CJJXGLGSSZBZFF-QGZVFWFLSA-N	423.538	5.372	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)c1ccccc1	772033645	QWHCWIXPPQPVRA-NQIIRXRSSA-N	415.578	5.029	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CNc2ccccc2O[C@H](C)C#N)cs1	779988515	HCSVXRVJZHGEHJ-MRXNPFEDSA-N	406.511	5.039	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc2ccccc2n1Cc1ccccc1F	780175872	HPFGWXGOHHVIEP-QGZVFWFLSA-N	413.452	5.372	30	20	HKED	
C#CCCCCCC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1	780297588	DOIKSNOWPKJAIS-UHFFFAOYSA-N	404.560	6.191	30	20	HKED	
C/C(=C\C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc([N+](=O)[O-])cc1	783896003	XHHSLQZLGUNYTA-FYWRMAATSA-N	414.421	5.004	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c(Cl)c1	788360028	GNVSAZFZFDKEPD-PKNBQFBNSA-N	421.283	6.013	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1	789450582	FEKKOHGKTNMKFV-GOSISDBHSA-N	401.551	5.012	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(C2CCC2)c1	798738033	HUNLIVWENGZMNZ-MRXNPFEDSA-N	408.523	5.144	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)OCc2cc(Br)cc(C#N)c2)cc1	801705164	KWCVCUSSCYCUEV-CQSZACIVSA-N	414.299	5.006	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](NCc1ccc(C#N)cc1Cl)c1ccccc1	810134052	PLSINXICEZTXOG-OAQYLSRUSA-N	413.949	5.347	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1	814532278	QIZABXLLYMFPMO-IBGZPJMESA-N	410.905	5.023	30	20	HKED	
Fc1ccc(NN=Cc2cc(Br)ccc2OCc2ccccn2)cc1	818204211	QVQJFDLVEWKZIT-UHFFFAOYSA-N	400.251	5.008	30	20	HKED	
N#Cc1cccc(-n2ccc(-c3nc(-c4ccccc4OCc4ccccc4)no3)n2)c1	904465997	YBINTRQOXSRVMY-UHFFFAOYSA-N	419.444	5.040	30	20	HKED	
C[C@H](OC(=O)c1sc2cccc(Cl)c2c1Cl)C(=O)Nc1ccccc1C#N	913328749	UDSQHUYORCPOSE-JTQLQIEISA-N	419.289	5.264	30	20	HKED	
Oc1ccc(Br)cc1/C=N\C1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	914702341	BDMUUMZIJKXDNE-ZPPGABHUSA-N	418.175	5.483	30	20	HKED	
O=C(/C=C\c1cccc(/C=C/C(=O)c2cc(F)ccc2F)c1)c1cc(F)ccc1F	916133449	PQPWMXHUPLEWJP-WIZYTBDYSA-N	410.366	6.035	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(O)c1	916155644	PIERLVXISURSPH-JXMROGBWSA-N	412.272	5.847	30	20	HKED	
Cn1cc(/C=C\C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cn1	916845488	ZNAWFFQUWOYVRL-KHPPLWFESA-N	416.531	5.054	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(SC(F)F)cc1	916944530	HAUGZNUHQIQEOS-AWEZNQCLSA-N	415.248	5.269	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1	919965578	ALLHVXPOMXXUID-SANMLTNESA-N	409.533	5.193	30	20	HKED	
Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1ccc(-c3nc4ccccc4s3)o1)CC2	920069042	QZQFKDGQDPYEHI-BENRWUELSA-N	405.431	5.368	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc(C)sc2C)c([N+](=O)[O-])cc1OCC(F)(F)F	921260780	DMFVCUQZLZNKDX-SNAWJCMRSA-N	415.389	5.119	30	20	HKED	
CCN(C(=O)c1ccc(-c2cccc(Cl)c2)nc1O)[C@H](C)c1ccc(C#N)cc1	1264599592	JARCKUFXOXAYHW-OAHLLOKOSA-N	405.885	5.203	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1cccc(C)c1	7746758	WXHXTYWXCNYIEQ-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
CC(=O)N[C@H](CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1	11328865	QXOSLYOYUJAURP-HSZRJFAPSA-N	418.880	5.052	30	20	HKED	
C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nnc1-c1ccc(F)cc1	23012924	UGTGLONCAAZDAI-UHFFFAOYSA-N	421.444	5.173	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)Nc1ccc(C(C)(C)C#N)cc1	29150296	AOHPNCIVCYVZOA-UHFFFAOYSA-N	403.345	5.290	30	20	HKED	
CC(C)c1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cs1	31654669	BOLQVNOIQFLSKW-UHFFFAOYSA-N	418.547	5.130	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCC[C@H](C(F)(F)F)C1	44525657	GTJLNFVVHOSAGT-BDAKNGLRSA-N	403.294	5.197	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1	195711103	KPJFTUDANMBBAE-UHFFFAOYSA-N	403.478	5.229	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(C2CCCCC2)no1	237454590	JPIILLNHPJTRLN-GOSISDBHSA-N	416.525	5.419	30	20	HKED	
N#C[C@@H](NC(=O)CSc1nc2ccccc2s1)c1cccc(Cl)c1Cl	303301999	CXPUIRRCHONISQ-CYBMUJFWSA-N	408.335	5.076	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3nnc[nH]3)cc2)c1	303682919	SKWPVZUVTNPJCR-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1	303915656	SAZCEDBWLCCPKU-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
CC[C@@H](CC#N)c1cccc(-c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1	328578343	IKWLQTVIAXHURS-SFHVURJKSA-N	424.552	5.425	30	20	HKED	
Cc1ccc(C)c(-n2ncc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)c2C)c1	433258687	HGZVHRDYXKCBQA-NRFANRHFSA-N	401.514	5.354	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)N[C@H](c1ccc(F)cc1)C(F)(F)F	433634899	JJWXPGNZEUVQAE-ZIAGYGMSSA-N	412.280	5.013	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cc(Cl)ccc1Br	433773784	IIRULISOLBXYBO-GFCCVEGCSA-N	423.763	5.678	30	20	HKED	
N#Cc1ccc(C2(C(=O)N[C@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)cc1	436413768	IIRSNLPYJSWFBP-FQEVSTJZSA-N	417.509	5.046	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(-c4cccnc4)cc3)cc2)cc1	437389530	XQZILULFBJIBEO-UHFFFAOYSA-N	419.484	5.537	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4c(F)ccc(F)c4C3)c2)cc1	438658935	CTGIIVAJPXKFBO-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
Cc1ccc(CCN(Cc2ccco2)C(=O)N[C@H](CCC#N)c2ccccc2)cc1	440257340	QTKUBHXBHZGSHC-XMMPIXPASA-N	401.510	5.387	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)c1	440294634	LJEWBKKNIPRZLF-UHFFFAOYSA-N	417.431	5.128	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2oc3ccc(Cl)cc3c2C)c1C#N	445561017	WMCNCTGDSWQFGQ-UHFFFAOYSA-N	422.897	5.426	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2ccccc12	464803457	YOJBEDYPOZJUGP-HNNXBMFYSA-N	421.478	5.160	30	20	HKED	
CCSCC[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	467032685	ILSHYABPQLUZMS-HNAYVOBHSA-N	401.963	5.649	30	20	HKED	
C[C@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1cccnc1	469036123	SXOWLJFDKFENIP-AWEZNQCLSA-N	411.383	5.507	30	20	HKED	
Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1NC(=O)C(C)(C)C	469386213	MZFXKFILCMEENL-UHFFFAOYSA-N	416.525	5.490	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	470897171	MBRBSLUOXPFHEW-FQEVSTJZSA-N	403.551	5.612	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc1	470935964	YOUYDMYOYPMKPS-HXUWFJFHSA-N	418.456	5.220	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1	471273030	NNOMPVNYFIUWDR-QGZVFWFLSA-N	416.550	5.319	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1cc(Oc2cccc(Br)c2)ccn1	474703676	ANMZHKJGKJAISS-UHFFFAOYSA-N	416.319	5.038	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1	475526196	MCUNRSUMYHDVIB-HXUWFJFHSA-N	420.921	5.367	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1	475549699	UGGQLITXHBTQGQ-KRWDZBQOSA-N	404.514	5.395	30	20	HKED	
CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1ccc(F)cc1)c1cccnc1	475756237	OUWHZQPKSMJZLD-GJZUVCINSA-N	415.512	5.636	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c(F)c1	480563330	LEVQIGVCKPHTJS-VLIAUNLRSA-N	401.482	5.798	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1cc(-c2cccs2)on1	481359045	NJPIGGFWGIMINA-UHFFFAOYSA-N	410.524	5.052	30	20	HKED	
O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N(Cc1ccccc1)CC(F)F	482435625	IHTHOYASQBSNQR-INIZCTEOSA-N	408.317	5.045	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1nccc2ccccc12	483208954	ZWWOGXHEYFPMNI-INIZCTEOSA-N	419.200	5.506	30	20	HKED	
C=CCSc1ccccc1C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	485463903	IUOUGKMIRJNOCW-IIBYNOLFSA-N	418.965	5.180	30	20	HKED	
Cc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1	487358057	UFEXZZZOIZZYMV-UHFFFAOYSA-N	401.413	5.185	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)ccc1F	489680560	SPQMKYVURBLGTM-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2ccc(Oc3ccccc3)nn2)cc1	499067925	DAESLSHXZDHMDH-UHFFFAOYSA-N	424.479	5.482	30	20	HKED	
COc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	500768504	OTIVOEMPCIGJPH-QGZVFWFLSA-N	402.450	5.074	30	20	HKED	
C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1	500817364	KQEYLNOGMKAZIU-SVFBPWRDSA-N	419.594	5.187	30	20	HKED	
C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(OC(F)(F)F)c1	502177378	MSWGNNFMTFKMSD-HNNXBMFYSA-N	415.415	5.017	30	20	HKED	
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2cccc3ccccc23)cs1	502561573	QUCHLKUFLMYKOL-HSZRJFAPSA-N	421.522	5.163	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc([C@H]4CCCOC4)cc3)n2)cc1	505716873	NBIJBNBJUPTRKZ-SFTDATJTSA-N	413.502	5.066	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(Oc4ccccc4)c3)CC2)cc1	509238210	SPFLWMKRURNKLX-UHFFFAOYSA-N	413.477	5.426	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Br)ccc1F	511141680	KDWIONDZKCCPNR-UHFFFAOYSA-N	401.260	5.441	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)CC2)cc1	511568532	VJHPSLNLYINGFF-FQEVSTJZSA-N	417.406	5.190	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1OC(F)F	513103180	RQECKNPVNSMOEP-MRXNPFEDSA-N	422.431	5.230	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC	513770919	GCDNYSHPQFXMBC-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CSc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513962562	ABSZZKFHOPBCNT-UHFFFAOYSA-N	405.498	5.654	30	20	HKED	
CC(C)CN(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(C#N)cc1	515068055	YNIPKCGIZNOTQC-UHFFFAOYSA-N	415.468	5.252	30	20	HKED	
C=CCN1CCC(NC(=O)N(Cc2ccc(-c3ccccc3C)s2)C(C)C)CC1	517342033	ZMBDWZZBDWNYHJ-UHFFFAOYSA-N	411.615	5.294	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C	518030937	XSQBVQWFIAMHPW-QGZVFWFLSA-N	405.498	5.304	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1	519116492	GVRKQSXGZDUHIA-UHFFFAOYSA-N	409.505	5.179	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccccc1OC(F)F	520195179	XFKKNRQRGSYBBT-KBPBESRZSA-N	405.470	5.565	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)Nc3cc(C#N)ccc3OC(C)C)cs2)cc1	521114882	LNCXKDUZQAULRM-UHFFFAOYSA-N	405.523	5.213	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	522603864	DLPXTFJSQCLGED-KRWDZBQOSA-N	418.006	5.325	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cs2)cc1	524033272	MYCOCZDIDMEDNC-KRWDZBQOSA-N	416.506	5.274	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)[nH]c2c1	524406203	NLHCCRPHZFHIJF-UHFFFAOYSA-N	411.461	5.188	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1	525733907	MDIPERFUHDAFBM-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	533765949	HAZCBTPKFVOJTJ-ZBFHGGJFSA-N	416.616	6.052	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2cccnc2)s1)c1nc(-c2ccc(Cl)cc2)cs1	534192715	RTKPCLUUQZQQQV-OAHLLOKOSA-N	422.922	5.472	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1Cl	535621266	QZOVYEPJQTUKBK-OFNKIYASSA-N	416.908	5.752	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2)cc1	536392954	IOMHMTBYKFFJDM-QFIPXVFZSA-N	404.853	5.330	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	539460936	KZHNJSPWQZOVAW-YHBQJITHSA-N	417.481	5.011	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cc1	540431368	YMAWLHQORGPTLD-LJQANCHMSA-N	412.415	5.424	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1	542135355	OKBQSBLNBOWVIA-NYHFZMIOSA-N	413.974	5.271	30	20	HKED	
Cc1sc(NC(=O)CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C#N)c1C	542943979	VMPIMVHJPBNPRL-MRXNPFEDSA-N	414.534	5.065	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1ccncn1	546153349	LNEYDNHZUAPFNT-HNNXBMFYSA-N	403.438	5.144	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1	550831257	UTAVUJDDNPZDBR-KKSFZXQISA-N	409.986	6.858	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)c1	552592531	MAWGJLFVPIAVTP-UHFFFAOYSA-N	404.882	5.378	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OCC(F)(F)F)cc1	553665311	STGDWNPQUNBPHH-AWEZNQCLSA-N	423.460	5.344	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2)cc1	570328254	ORPSVJKTCDJLAG-QHCPKHFHSA-N	403.526	5.260	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1	576508089	USFMMKFYEWLJBD-HNNXBMFYSA-N	421.526	5.298	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)c1c(C)n[nH]c1C	580143727	BWUAGUYVJOLCCS-MRXNPFEDSA-N	404.489	5.073	30	20	HKED	
C=CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1cccnc1	591598834	IEWSGYWCSBMCBX-UHFFFAOYSA-N	409.518	5.357	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	603691613	KBPFGRIPJHLJBW-INIZCTEOSA-N	402.454	5.027	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(OCCCC#N)c1	603972409	DKDGAAHCTRAGRX-UHFFFAOYSA-N	411.914	5.707	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1	604134438	IWUHCCJVAFTTCM-JOCHJYFZSA-N	403.441	5.176	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccccc2F)CC1	605955384	GYDUYPCJXMMIKR-GHMZBOCLSA-N	412.349	5.024	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)cc2)cc1	608840599	ADQXPLNCQGYWCD-RPWUZVMVSA-N	413.477	5.392	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	609072939	HNFZNRMSGRNPKY-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N	609167377	YCEJWVSZHOOJHD-OAHLLOKOSA-N	400.507	5.088	30	20	HKED	
COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccc(CC#N)cc2)cc1	609204843	SEKKIPBJSCAIDG-UHFFFAOYSA-N	415.493	5.004	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1	609403108	SQCAUOPFIFNGTL-CQSZACIVSA-N	407.461	5.621	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](c2ccccc2)O1	609516411	HQZQUDILIBTPQC-KBMIEXCESA-N	412.489	5.147	30	20	HKED	
C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1c(Cl)cccc1Cl	609579696	ODOLVQARAQTBAV-GFCCVEGCSA-N	415.242	5.560	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1	609601047	MREDPQPNQGGJSQ-QFIPXVFZSA-N	412.493	5.293	30	20	HKED	
COCCOCc1cccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609602259	XITDCLXZHWONOW-UHFFFAOYSA-N	417.465	5.158	30	20	HKED	
C[C@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1	609642059	XWTBIHGYYIXTKX-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	611557475	KPPYQVNUSCKWBD-DZGCQCFKSA-N	421.394	5.684	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc2ccccc2s1	612893470	PCBSGLJYVAGBJH-IBGZPJMESA-N	418.905	6.019	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1	614999825	LUROKKGLFCHMQX-UHFFFAOYSA-N	420.896	5.087	30	20	HKED	
O=C(Nc1ccc(CCC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674680396	YRPJRNMVNRTPAD-RYUDHWBXSA-N	422.291	5.386	30	20	HKED	
Cc1ccc(-c2nnc(COC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1	728669385	PGYVHCYPEQAJGN-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1ccc(OCc2ccc(F)cc2)cc1	728687470	HOIIZNBXWPKDDA-QGZVFWFLSA-N	419.456	5.190	30	20	HKED	
CC(C)[C@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	728765102	ZNOZHNVRHDVRFC-ROUUACIJSA-N	419.550	5.282	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@H](C#N)c3nc4ccccc4s3)c2)c1	730071146	HQPMOZYDYLNLRQ-NRFANRHFSA-N	412.514	5.603	30	20	HKED	
CCCCOc1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1OCC	730085778	UWMAIWCUKBJBSU-WUXMJOGZSA-N	423.553	5.121	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)c1	733849260	YUBCHIAWXUHXKQ-WMZHIEFXSA-N	419.525	5.619	30	20	HKED	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	734081554	MVLJGNZVDBQGPW-HNAYVOBHSA-N	405.523	5.146	30	20	HKED	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	734081555	MVLJGNZVDBQGPW-KXBFYZLASA-N	405.523	5.146	30	20	HKED	
COCCOc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c(C)c1	734160238	QHUBCKYBBSIZKF-UHFFFAOYSA-N	402.494	5.083	30	20	HKED	
C=CC[C@H](NC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccncc1	734654726	XCSOTOJBAKHMCQ-WGEFWLCRSA-N	409.533	5.295	30	20	HKED	
Fc1ccccc1CC(=NNc1ccc(Cl)nn1)c1ccccc1Br	735609666	YEXZNIPYVWGUGP-UHFFFAOYSA-N	419.685	5.091	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1	737011078	PUTLQCVPWWVFFA-UHFFFAOYSA-N	421.884	5.143	30	20	HKED	
CC(C)C(=O)Nc1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1	740433959	AFJRPPGWTTWZFV-UHFFFAOYSA-N	418.522	5.203	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl	741067906	HMXODCRKPBLNCO-LRDDRELGSA-N	424.353	5.243	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1	744032060	BKJQWMDDHCAPOR-KDOFPFPSSA-N	422.554	5.233	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	744118135	FPDRRTNSHAIQGA-XKOZXHHJSA-N	404.388	5.734	30	20	HKED	
CCCN(Cc1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	746658182	CJAVCRSAUIEIBK-QHCPKHFHSA-N	401.485	5.925	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3cc(F)ccc23)cc1	747976404	YKJJLCFUYCETPV-HSZRJFAPSA-N	412.468	5.327	30	20	HKED	
CC[C@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	749030172	VVQBVNZAFTVFLW-PXAZEXFGSA-N	416.424	5.261	30	20	HKED	
COc1ccc(CCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC)c1	754532608	WSIRUNMLHCZMSB-MRXNPFEDSA-N	414.914	5.166	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Br)n1	755862175	KXUUOJHOQWDIQI-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3cccnc3Cl)s2)c(C(F)(F)F)c1	758452213	RKEFNXVGHHSXIO-UHFFFAOYSA-N	408.836	5.285	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc2cc(Cl)ccc2s1	759221810	OWJORPIJPSRBDG-WLMCBFPDSA-N	424.312	6.041	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1	759430883	GYOXLLDILNKKNN-FDDCHVKYSA-N	404.554	5.461	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)C(c1ccccc1)c1ccccc1	761668823	QVZYYFKNNQWJQT-QGZVFWFLSA-N	403.457	5.070	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F	762191052	UYIRJSOWMLRMHE-QINSGFPZSA-N	409.795	5.002	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)CCCCCCCC(=O)Nc1cccc(C#N)c1C	770727379	CTEMNZCCLJUYQT-UHFFFAOYSA-N	416.525	5.355	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1	775401756	RWSBRNIZTFYBFA-SBUREZEXSA-N	405.542	5.311	30	20	HKED	
CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1O[C@@H](C)C#N	780146629	BMIBOQLIMXSSFD-HNNXBMFYSA-N	419.447	5.485	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	780470970	GCURCZROVVSIFV-MRXNPFEDSA-N	415.453	5.265	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OCc1ccc(OCC#N)cc1	781721740	YZYVZVGNPXOZHQ-UHFFFAOYSA-N	417.248	5.216	30	20	HKED	
C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(Cl)c(Cl)c1O	783329862	KFAUZXRHQFZATK-GRTSSRMGSA-N	406.313	5.006	30	20	HKED	
C[C@H](OC(=O)C(C)(C)CCC(=O)O[C@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1	783989518	UZXDEPKNYKCDNX-MSOLQXFVSA-N	418.493	5.145	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ncc(C(F)(F)F)s2)CC3)cc1	788355805	POCVAPLBVSYIBM-FLIBITNWSA-N	422.453	5.507	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@H](C)c1ccc(C#N)cc1	790786593	XZUPUBRJPCWSME-GOSISDBHSA-N	406.489	5.392	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nccc2ccccc12)c1ccccc1	792093863	AZDQPCCULPVHPG-SFTDATJTSA-N	415.493	5.067	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCOC(=O)c1sc2ccc(C#N)cc2c1C	796615055	NRWLDZUFIQHUOX-UHFFFAOYSA-N	406.507	5.274	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	811477587	WSDDEUDLGVKZMQ-UHFFFAOYSA-N	400.544	5.338	30	20	HKED	
CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1	813378490	VUQSFLMXHRKGTP-LOSJGSFVSA-N	424.500	5.040	30	20	HKED	
CN(C)c1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2)cc1	815925567	JBAZBCQLGZHVCV-MRXNPFEDSA-N	423.488	5.062	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1	816767435	YMEIEWPYNDEIPC-UHFFFAOYSA-N	422.488	5.215	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)c1	904634040	JQFLTVPSPWKNKZ-UHFFFAOYSA-N	422.460	5.420	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc([C@H](C#N)CCc3ccccc3)n2)c1	904634309	KDMWIMVQZDZFPV-SFHVURJKSA-N	404.470	5.324	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1	915084937	BFZTWIPKXOVWOH-LJQANCHMSA-N	411.288	5.666	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2c(Cl)c3ccccc3n2C)cc1	916915872	QVCPENXJDNYCLE-GOSISDBHSA-N	407.901	5.135	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc3ccccc3c2)cc1	916954299	HLGZIRSHJDDBKS-SBUREZEXSA-N	400.478	5.080	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1cccc(C)c1	916983955	ZPTSYIPMFBVHJV-GOSISDBHSA-N	419.472	5.284	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccccc2F)cs1	920372200	WTLMJHPGTIKMMH-UHFFFAOYSA-N	422.407	5.432	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccn(C)c34)cc2)CCC1	1789061998	ZLQYSVBWNCEXRP-SFHVURJKSA-N	415.537	5.138	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(OCC)c3)cc2)CCC1	1790342959	REVIHPSSGSJIRR-GOSISDBHSA-N	406.526	5.045	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C4CC4)cc3)CCC2)cc1	1791584385	MUZWEWXAOGRCPI-UHFFFAOYSA-N	400.522	5.115	30	20	HKED	
C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ccccc2c1	1795537463	KWYWQMWMXYIYGV-BKFWDETESA-N	418.581	5.013	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2)CC1	1828822120	FDLPNPTZIXSZHQ-CNPKUOIJSA-N	420.597	5.088	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(F)cc1	7833934	IIVPFLAHOPCIJL-CQSZACIVSA-N	407.474	5.174	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)c1	10172674	IMFPKAROTQHBBO-UHFFFAOYSA-O	409.600	5.629	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(C)c(C)c1	11160575	ACRNBNSXGZMPIY-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
Cc1c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nc2c1CCC2	22121122	AFOPRAQOJJGCLS-NSHDSACASA-N	406.338	5.177	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2oc(C3CC3)nc2c1	33214972	ITRRUUWTXJCZIT-UHFFFAOYSA-N	411.486	5.980	30	20	HKED	
Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2)cs1	41501611	YHOVSRGHKZMQDZ-KRWDZBQOSA-N	405.504	5.130	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OC	41555977	ULXUVQPSOWOHSF-CYBMUJFWSA-N	412.795	5.041	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1cc(C#N)ccc1C	58452102	IBBGRUNIZLHYSL-UHFFFAOYSA-N	416.481	5.165	30	20	HKED	
C=CCN(C(=O)c1cc(Br)c(OCCC)c(OC)c1)c1ccccc1	105726824	JWVXXKHNGOYCBF-UHFFFAOYSA-N	404.304	5.079	30	20	HKED	
CCCN(CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccccc1Br	110184496	SDJRRMYIWQVNMP-INIZCTEOSA-N	414.347	5.123	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1	255948910	BXLORFTZCQYAEM-UHFFFAOYSA-N	424.551	5.133	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	261423114	BYUUNBDZWDOZOQ-LJQANCHMSA-N	416.546	5.699	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1ccccc1C(F)(F)F	303419970	YAMCBZLOIJHPCV-OAHLLOKOSA-N	421.488	5.028	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cs1	430575768	AASPYFBRJSLVCE-INIZCTEOSA-N	411.552	5.275	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1)c1ccccc1	432980983	YXRGUQMPYFXBBI-QFIPXVFZSA-N	418.472	5.356	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433000941	XVZSLQYZIZBJRG-VWLOTQADSA-N	413.521	6.131	30	20	HKED	
Cc1ccccc1Oc1ccccc1CNCc1cn(CCC#N)nc1-c1ccncc1	433317637	JCKINEGXDUAELO-UHFFFAOYSA-N	423.520	5.249	30	20	HKED	
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	437544873	FVGRVJLZFNKDGZ-HKUYNNGSSA-N	416.447	5.075	30	20	HKED	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccccc1SC[C@@H](C)C#N	438065336	ILWAECVKPZGBRZ-FPOVZHCZSA-N	409.599	6.122	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1cccc(Br)c1)C1CC1)c1ccccc1	440254976	LTNOFKJBQUAAGU-FQEVSTJZSA-N	412.331	5.168	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1	440259881	MAVAVHWUXCVZIZ-LJQANCHMSA-N	404.539	5.230	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1	441528024	BAKKMTBJEICUOW-QGZVFWFLSA-N	400.507	5.433	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1ncc(CC)s1)c1ccc(C(F)(F)F)cc1	441537225	SLVXBWSMKKDSFD-KRWDZBQOSA-N	411.493	5.573	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1	445047505	JGIAAWDEZACIGS-LLVKDONJSA-N	407.927	5.047	30	20	HKED	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl	447131560	BLWXUXKLXDYLPD-INIZCTEOSA-N	417.896	5.037	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1nc2ccccc2o1	447205737	BEUDSWFOOVWXKZ-MRXNPFEDSA-N	410.458	5.232	30	20	HKED	
C[C@@H]1CN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCC1(F)F	460837153	BCAVIUTXLSFOKQ-MFKMUULPSA-N	418.328	5.386	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nccc3sccc23)cc1	461499906	WQSOXXSWKIGVCF-UHFFFAOYSA-N	401.516	5.713	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1cc(C(F)(F)F)ccn1	464411415	PJIHHZDHNVUSFS-OAHLLOKOSA-N	420.312	5.675	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1occc1COc1cccc(C#N)c1	466889547	ZMXQSPGFZTZZAS-GHTZIAJQSA-N	400.478	5.139	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4cccc(F)c4)s3)ccc21	468762432	AOYOENDCQUPFCB-UHFFFAOYSA-N	419.525	5.749	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(F)(F)F)ccc1F	471230404	QGWXOKNLSPQJNL-UHFFFAOYSA-N	415.346	5.464	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCCSc3ccc(F)cc32)o1	471239196	OHUMNYMYOCPLSM-UHFFFAOYSA-N	408.454	5.012	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)CO2	471822773	BUFHBZFHXUCVHN-INIZCTEOSA-N	420.456	5.443	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)Nc2cccc(COc3ccccc3)c2C)cc1	472696090	CUXXSQSJQXXUSN-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CC(C)C)[C@H]1CCCc2cccnc21	475570542	SXLXGJGZIUTKCQ-QHCPKHFHSA-N	405.586	6.501	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2cccc(F)c2C)nnc1-c1ccccc1C	480399920	DLVMEABNHLDWJM-UHFFFAOYSA-N	410.518	5.008	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)c(F)c1	480563331	LEVQIGVCKPHTJS-XOBRGWDASA-N	401.482	5.798	30	20	HKED	
C=C(C)[C@@H](NCc1ncc(-c2ccccc2Br)o1)c1ccc(F)c(F)c1	481614311	YPSNSRBJZZTUHV-HXUWFJFHSA-N	419.269	5.789	30	20	HKED	
N#C[C@@H](NC(=O)CSc1nccc2ccccc12)c1c(Cl)cccc1Cl	481812527	NBBCQPOWZXQZKL-MRXNPFEDSA-N	402.306	5.015	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	482820616	UZSCRPACNDUWAI-KRWDZBQOSA-N	416.477	5.249	30	20	HKED	
N#Cc1cc(F)ccc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1	483113494	AODLPUMZYYNOHU-UHFFFAOYSA-N	410.257	5.258	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1ccc(C(F)(F)F)cn1	483324427	MKTYRAVAMIJCFT-MRXNPFEDSA-N	418.321	5.661	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4)o3)n2)cc1	484561089	WDVALHZYKIFQDG-SFHVURJKSA-N	416.458	5.694	30	20	HKED	
CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n[nH]1	486910888	GNKJLXHWVYSRSI-UONOGXRCSA-N	422.464	5.004	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccccc1	487617116	MBJGVJBBNWRYHU-IBGZPJMESA-N	418.522	5.557	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3csc([C@H](C)OCC)n3)o2)cc1	489791296	YUPYVMITJAMIHX-ZDUSSCGKSA-N	403.529	5.148	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(SCC(F)(F)F)c1	493536718	LSKBIBPQKOIQJI-GFCCVEGCSA-N	411.474	5.383	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c3c(C)noc3n2)cc1	496614696	ZHAMTIZNPLJKAK-QGZVFWFLSA-N	408.417	5.138	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)Nc3cc(C)n(CCC#N)n3)c2)c1	504130644	MAJGRHCJZVHXGT-UHFFFAOYSA-N	404.539	5.267	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1F	505809411	OTZARJXOKJBZMR-NRFANRHFSA-N	421.859	5.035	30	20	HKED	
Cc1nc(CCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)oc1-c1ccccc1	505922165	FLBNZFMVTDZMPD-GOSISDBHSA-N	414.292	5.271	30	20	HKED	
CCOC[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	506705736	QYMIEABROJEQAM-LAUBAEHRSA-N	411.933	5.276	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccccc1C#N	508099916	ZHHXRTHKELAAJW-UHFFFAOYSA-N	421.294	5.176	30	20	HKED	
N#Cc1ccc(CN(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)s1	509392688	KVENVYKAXYIDOZ-UHFFFAOYSA-N	413.905	5.053	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@H]3Cc3ccccc3)s2)cc1	510687348	WGMDUHCMWFTNIH-NRFANRHFSA-N	416.550	5.235	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1	510946102	UGOQPZWRQGDOIQ-UHFFFAOYSA-N	402.347	5.162	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2-c2cccs2)c1	513108100	KJQBIWUNDYRKTQ-UHFFFAOYSA-N	410.498	6.118	30	20	HKED	
Cc1ccc([C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCCC2)cc1	513371101	KDJYFOOFSZXDGB-AREMUKBSSA-N	409.533	5.101	30	20	HKED	
C=CCn1c(SCc2c(Cl)ccc3cccnc23)nnc1-c1ccc(OC)cc1	515288425	VOJKHEBKZIVWGY-UHFFFAOYSA-N	422.941	5.634	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc23)CC1	517321158	XPIFLJSKLHCCTM-UHFFFAOYSA-N	423.601	5.234	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c5c(cccc35)CC4)n2)cc1	517800679	AWKBMHCBEBANDU-OAQYLSRUSA-N	410.498	5.561	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1	519427537	MJCZCDYQWGMRBE-HNNXBMFYSA-N	410.930	5.089	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)CSc3cc(Cl)ccc3Cl)CC2)c1	520546688	UBIPYJSRGFUFQX-UHFFFAOYSA-N	421.349	5.027	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1	520923223	FQJGPNSASGWVHY-OAHLLOKOSA-N	421.547	5.647	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	521952236	KSBDDAWSACDHEF-UHFFFAOYSA-N	411.461	5.480	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)c2sccc2C#N)n(-c2ccc(C)cc2)n1	522111496	UKZRODZJMMSCQF-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1	524114714	KPJUKXXJRJGZHC-UHFFFAOYSA-N	424.422	5.646	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2Cl)c1	524390748	AHSPBKFWZYJDPW-UHFFFAOYSA-N	413.842	5.013	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1ccc(C(F)(F)F)cn1	530858216	FHPRIQZXNOKYLM-AWEZNQCLSA-N	417.774	5.431	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1Cl	534178817	ZUGSYZLRGFPIIH-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2ccccc2)no1	535537729	IKWXSJJQLNEPRN-JKSUJKDBSA-N	421.526	5.056	30	20	HKED	
C=CCC[C@@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	539328897	READFHBMTLXVHB-IAGOWNOFSA-N	422.413	5.103	30	20	HKED	
CC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	542127712	FCTHDDNHSABSKT-MRXNPFEDSA-N	415.301	5.810	30	20	HKED	
C[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	543876026	UJCPDJLPNGFFNV-OAHLLOKOSA-N	424.331	5.821	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3ccc(C#N)s3)s2)c(C(F)(F)F)c1	544662620	XOFOHFCPLKGNJG-UHFFFAOYSA-N	404.442	5.170	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	547418032	WVPMFMFUDVAEQB-SCLBCKFNSA-N	403.404	5.201	30	20	HKED	
Cc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)nn1-c1ccc(Cl)cc1Cl	553831042	HFQXOAUZEGPJKJ-UHFFFAOYSA-N	417.271	5.187	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@](F)(c2ccccc2F)C1	554908035	IZPBLPBXTNKMJZ-QVKFZJNVSA-N	401.482	5.180	30	20	HKED	
CCOC1CC2(CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)C1	557131821	JFYTXYZNESEQTL-UHFFFAOYSA-N	410.901	5.035	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccccc1Br	557576979	PKSGYLBESZDOCF-AWEZNQCLSA-N	418.360	5.065	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCc4sc(Cl)cc43)cc2)ccn1	558511399	NXHHGIDZEMCUFS-KRWDZBQOSA-N	410.886	5.269	30	20	HKED	
CC(C)(C)c1csc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	573464708	VSVVPRDNVAUXFL-UHFFFAOYSA-N	407.564	5.857	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Br)cc1F	573757375	IVRBOEWOAKPYGB-CQSZACIVSA-N	418.310	5.143	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	582611656	HBZXNAXORSOLDJ-CYBMUJFWSA-N	413.268	5.112	30	20	HKED	
N#CCCCCCC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	588681599	FXGICIVFNTVPSZ-MRXNPFEDSA-N	422.369	5.098	30	20	HKED	
COc1ccc(CNc2cc(C(C)C)nn2-c2ccccc2)cc1OCCCC#N	589322085	YICFXVGKQNBMEV-UHFFFAOYSA-N	404.514	5.299	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1noc(-c2ccc(Cl)cc2)n1	589515546	HXHMYFSVJLHBIZ-LLVKDONJSA-N	406.795	5.131	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1sc2c(c1C#N)CCC2	602755050	SVIKHWNVXWMZJR-UHFFFAOYSA-N	423.541	5.813	30	20	HKED	
N#Cc1c(NC(=O)CCSc2ncc(-c3ccccc3)[nH]2)sc2c1CCCC2	603454312	WKQHMHWBNRKGLO-UHFFFAOYSA-N	408.552	5.010	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1	609415118	YCYCAPKUUHRBHG-FQEVSTJZSA-N	423.969	5.685	30	20	HKED	
Cc1nn(-c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c(C)c1Cl	609427520	HAVGHJJORWQCDO-CQSZACIVSA-N	424.957	5.789	30	20	HKED	
CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H](C)c1cccnc1	609682044	JPEHHKOXPNNSCI-KRWDZBQOSA-N	418.472	5.286	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccncc1	610723044	HAPILYZDJZVENL-INIZCTEOSA-N	405.885	5.318	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@H](C)c1cccc(C#N)c1	611669271	UVGAUIUXKHCYTD-MRXNPFEDSA-N	414.347	5.007	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)c4c(c3)OCCCO4)n2)cc1	613315620	RZZCRNXOZPRJSD-INIZCTEOSA-N	424.909	5.423	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)cc1Cl	619755628	NQFJGVWAQIYBNM-XMMPIXPASA-N	401.872	5.778	30	20	HKED	
O=C(Nc1cccc(Cl)c1OCC(F)F)c1cc(F)c(C(F)(F)F)c(F)c1	622601629	MFTJPRAUQJIPIB-UHFFFAOYSA-N	415.692	5.533	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccoc1C	645079471	OXBAMBISLSMWQK-JOCHJYFZSA-N	415.518	5.749	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1ccccc1C(F)(F)F	669691295	KVRYTLYYJNILDC-LLVKDONJSA-N	423.328	5.918	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCc2c(F)cc(F)cc2C1	675886200	BSDAXKGWCWPWAN-UHFFFAOYSA-N	406.301	5.209	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1Cl	726467975	GPLIGFYMPFZFHI-UHFFFAOYSA-N	412.877	5.025	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2ccc(CC)cc2)c1	726572421	DJUKLGXXXXOHKR-UHFFFAOYSA-O	419.595	5.519	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cc1	726913548	JIALULMIUOKAMZ-IZZNHLLZSA-N	410.517	5.981	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cccc(O[C@H](C)C(=O)O)c1	727267837	STFPECUEUISEDO-JBNJFFQFSA-N	411.454	5.006	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)c1	727589044	FUNPWEGXNRGGJS-OAQYLSRUSA-N	412.493	5.547	30	20	HKED	
CCCC(=O)Nc1ccc(O)c(C(C)=NNc2ccc(Br)cc2C)c1	728432888	HFTNBYKZRSUQQW-UHFFFAOYSA-N	404.308	5.038	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cnc(-c2ccccc2)nc1	728441765	PLQIPYIJLOHFOJ-QXMHVHEDSA-N	401.466	5.611	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)sc2c1	729185085	NKUBMEVNHIUSNC-HNNXBMFYSA-N	406.894	5.858	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)cc1	729189048	VDGVDBPSVRZDDY-UZLBHIALSA-N	403.457	5.091	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@@H](C#N)c1nc3ccccc3s1)oc1ccccc12	730110027	LHANLVDHSBSYEM-OAHLLOKOSA-N	413.458	5.450	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1	732593817	UDEKQCPRHGORCQ-CCDWMCETSA-N	424.500	5.025	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1	734101762	HEGIWJUHUGNDKC-UHFFFAOYSA-N	411.505	5.380	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cccc(C)c2C)cs1)c1ccc(F)cc1F	734305669	ZQGOVNFMDLCJGO-NTMALXAHSA-N	412.461	5.619	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccnc2SCC2CCCCC2)c1	734327133	RWZNUEMUBNOVPW-FQEVSTJZSA-N	423.582	5.365	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](c3ccccc3)C[C@@H]2C)c1=S	734477172	LWPYXUFWGLLAKB-ICSRJNTNSA-N	420.582	5.111	30	20	HKED	
CC(C)OC(=O)NCc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	735023936	FDLRERRLIOBMGB-UHFFFAOYSA-N	413.477	5.112	30	20	HKED	
CC(C)(C)c1csc(C2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)n1	735310299	XQVAOYSJRJDQCG-UHFFFAOYSA-N	403.979	5.376	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	735320140	LPURGNXAQRGCGF-CYBMUJFWSA-N	409.338	5.465	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	739156272	MKWCSNXISORNQC-RDTXWAMCSA-N	414.452	5.884	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cnn1-c1ccc(C#N)cc1	741844280	NJOHRWKBOWJWEE-LUAWRHEFSA-N	424.416	5.117	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OC2CCCC2)cc1NC(C)=O	742435274	VBHZIVXLDQMNRD-JXMROGBWSA-N	413.901	5.525	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)cc1	743093251	PUOCKRBGRKHQDD-VWLOTQADSA-N	421.504	5.299	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1F	750068681	HFJJKWFNOHKYGB-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2cccnc2)c2ccc(F)c(C)c2)ccc1OC	753679803	UCDADANHVNDPIB-SQJMNOBHSA-N	419.500	5.098	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl	753776369	XTSJNCHNOHCMBB-SFHVURJKSA-N	418.324	5.309	30	20	HKED	
CCCN(C(=O)Cc1cccc(OCC#N)c1)[C@H](C)c1ccc(Cl)c(Cl)c1	760394979	YPQXQPGTTLBVTF-OAHLLOKOSA-N	405.325	5.438	30	20	HKED	
Fc1cccc2c1SCC[C@@H]2NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	764775020	SQSGMBMQMLYXEA-BHDSKKPTSA-N	401.391	5.862	30	20	HKED	
COc1ccc2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2c1	770120716	YROZMKBQTRUNKW-HXUWFJFHSA-N	424.485	5.037	30	20	HKED	
C[C@@H](CSCc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	772972701	VYXPLUHGFIVUIH-BBRMVZONSA-N	421.349	5.210	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1	777136550	YVJXFWZOOKGFTC-UHFFFAOYSA-N	424.953	5.260	30	20	HKED	
CCN(CC)[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1cccc(C(F)(F)F)c1	780319136	MEMNQZINVDPWKD-QFBILLFUSA-N	415.415	5.106	30	20	HKED	
C[C@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1	782484061	CBUHHVSXUKWLCP-SFHVURJKSA-N	423.516	5.089	30	20	HKED	
N#C[C@H](C(=O)c1cc2cccc(Cl)c2o1)c1nc(O)c2c3c(sc2n1)CCCC3	783067986	CMBLLVXALALPEQ-GFCCVEGCSA-N	423.881	5.165	30	20	HKED	
C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1nnc(-c2cccc(Cl)c2)o1	784122809	QXSPYOAAOXMKJQ-JTQLQIEISA-N	421.762	5.198	30	20	HKED	
C[C@@H](Sc1nnc(CSc2nc3ccccc3s2)n1C)c1cccc(C#N)c1	785437306	CHRHMVMCNPOWOR-CYBMUJFWSA-N	423.592	5.442	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nccc2ccccc12	792094768	QPWXIABOUASJHZ-ZEQRLZLVSA-N	418.452	5.179	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)c1nccc2ccccc12	792099031	GJRVAFPQMWDTHW-SSSWZJSRSA-N	407.473	5.461	30	20	HKED	
COC(=O)Nc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1C	797881879	PLBLKTMYGFJGCN-UHFFFAOYSA-N	401.466	5.236	30	20	HKED	
CC(C)(CCC#N)COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1	798879247	IEJXTILJJIZAET-FQEVSTJZSA-N	412.917	5.074	30	20	HKED	
CC(C)(CCC#N)COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1	798879248	IEJXTILJJIZAET-HXUWFJFHSA-N	412.917	5.074	30	20	HKED	
CCCCN(Cc1ccccc1O)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	800914200	SZHNFJLSJHYRJI-UHFFFAOYSA-N	420.538	5.145	30	20	HKED	
CC(C)[C@@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccccc1C(F)(F)F	803832981	OCFDRLMXXRBYNL-QGZVFWFLSA-N	424.806	5.051	30	20	HKED	
CC(C)n1ncc2c(C(=O)OCc3ccc(C#N)cc3F)cc(-c3cccs3)nc21	809260741	KMYKRMIJPVCRSE-UHFFFAOYSA-N	420.469	5.108	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1	810705677	FTQUCABKZDMPCP-NRFANRHFSA-N	409.498	5.138	30	20	HKED	
C=CC[C@@H](NC(=O)NC(C)(C)c1ccc(Br)c(C)c1)c1ccncc1	812048235	PRUVEOQRWMKPPJ-GOSISDBHSA-N	402.336	5.004	30	20	HKED	
Fc1ccc(NN=Cc2ccccc2OCc2ccccn2)c(Br)c1	819846083	VOABQCAPEYHIFZ-UHFFFAOYSA-N	400.251	5.008	30	20	HKED	
O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CC(c2cccc(C(F)(F)F)c2)C1	857527969	HEXDINRNDCFLFK-MRXNPFEDSA-N	405.313	5.361	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1	915085587	NTOUPIJOHWLLCV-LJQANCHMSA-N	415.543	5.683	30	20	HKED	
COc1cc(C=NNCc2cccc3cccnc23)ccc1OCc1ccc(F)cc1	915959564	PRDWUORKOFUTON-UHFFFAOYSA-N	415.468	5.085	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C)n(C3CCCCC3)c2C)c1	916896375	FRRJNMXDVPTFMQ-FRHQNKJESA-N	403.526	5.279	30	20	HKED	
CCOc1ccc(OC(C)(C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917045933	DALLCHAOKYOCHD-INIZCTEOSA-N	414.914	5.382	30	20	HKED	
CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)[C@H](C)c1cc2ccccc2o1	920087347	NUSTVPJYIJPYTF-APWZRJJASA-N	410.477	5.053	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3cccc4ccccc34)n2)cc1	920140252	CXBPZNAUHKEYSZ-HXUWFJFHSA-N	409.470	5.090	30	20	HKED	
Cc1ccc(C(C)C)cc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140400	CKXHQWLJMFADGM-HXUWFJFHSA-N	415.518	5.369	30	20	HKED	
Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccs2)c1	1318186537	CUVIHSJNUFFVPZ-UHFFFAOYSA-O	412.947	5.192	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@H]54)CCC3)cc2)CC1	1787880584	VEBBVMMARRDLEM-STZQEDGTSA-N	419.569	5.031	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3csnc3C)CCC2)cc1	1789624113	KDVOGRQNVUNSKE-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C[C@@H](C#N)Sc1nc2scc(-c3ccccc3)c2c(=O)n1CCc1ccccc1	7237798	LOUXRHDYCYCQQT-INIZCTEOSA-N	417.559	5.372	30	20	HKED	
Cc1sc2nc(SCC#N)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1	20862974	FDFOJPJRBCYYEB-UHFFFAOYSA-N	407.495	5.177	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)cc1	22255147	AURBWHCEFHVPDV-GOSISDBHSA-N	420.538	5.089	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2cccc(C)c2)cc1	28780865	ZNRMFXZNNWPFMV-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	55277569	JNVGATXDRUOTLI-UHFFFAOYSA-N	415.518	5.197	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c2ccccc21	106042735	SSHWZYPIEDZQBV-UHFFFAOYSA-N	410.521	5.099	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1	237611367	FSBISDIRGYMGOF-CJAUYULYSA-N	402.563	5.797	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CNCc1cccc(OCc2ccccc2C#N)c1	237858740	QGNKXSOBONVIFQ-UHFFFAOYSA-N	422.532	5.230	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1cccnc1	302705999	YUZDFAICNMUHBX-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccccc1Cl	303393634	PGGKVEBFDGBVOX-WMZOPIPTSA-N	413.974	5.831	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C	410354677	PBCATZINTRNAIU-NRFANRHFSA-N	418.585	5.054	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)s1	430592728	CSPYMNXRBQRQCU-LLVKDONJSA-N	403.479	5.332	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1	430757179	NXHGAOGWGGTZEC-GOSISDBHSA-N	401.329	5.042	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1ccccc1	431131309	AMEVMLAYGYSQIJ-OXJNMPFZSA-N	415.306	5.339	30	20	HKED	
CS(=O)(=O)c1ccc(SCCC(C#N)(c2ccccc2)c2ccccc2)cc1	434647678	WEZWTYTYFHUUJU-UHFFFAOYSA-N	407.560	5.082	30	20	HKED	
CS[C@H]1CCCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	435668310	XHMYYQGGTHSYRH-NRFANRHFSA-N	409.555	5.081	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cccc(F)c1Cl	441057720	GPODJPLSSISACJ-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
CCN(Cc1csc(-c2cccc(C(=O)OC)c2)n1)[C@@H](C)c1ccc(C#N)cc1	441223823	CRRSWYUOCZXGSS-INIZCTEOSA-N	405.523	5.051	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1nc2c(s1)COCC2)c1ccc(C(F)(F)F)cc1	442043907	JUNRTJIPTHDYGH-CQSZACIVSA-N	411.449	5.064	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1NC(=O)CC(C)C	442675520	ZGUCHADCUQLGHN-LJQANCHMSA-N	417.534	5.593	30	20	HKED	
C=CCN1C(=O)N(c2ccc(-c3nc4ccccc4o3)cc2)C(=O)[C@@H]1Cc1ccccc1	445880274	MCCJMBBJCSDAKN-QFIPXVFZSA-N	423.472	5.061	30	20	HKED	
C=CCn1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccccc1C	446061181	JYXLEYYUEIZDMM-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1	460443248	MJRYZUWHXUGIJO-OAQYLSRUSA-N	402.494	5.132	30	20	HKED	
FC(F)(F)c1cncc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	463159652	ZYVCKEWOJXOPKG-ZDUSSCGKSA-N	402.260	5.512	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N	463751883	XCDPZDBJCLOAFW-ZDUSSCGKSA-N	406.349	5.478	30	20	HKED	
C=CCOCCCC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	464013817	IQIIBWPKBBHZLU-UHFFFAOYSA-N	409.505	5.653	30	20	HKED	
C[C@H](NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc(C#N)cc1	464358230	FXANUMCUVHPLEU-LIRRHRJNSA-N	420.513	5.259	30	20	HKED	
C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccsc2)O1	470692354	FUPLTNIWSOIXKP-AOMKIAJQSA-N	404.491	5.014	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1OCC	474434931	UNFJZIKHSGYZPI-AWEZNQCLSA-N	406.935	5.597	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H](CC#N)c1ccccc1	475468987	IUAFIIWBFPRINZ-KRWDZBQOSA-N	415.306	5.190	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cn(C)c2ccccc12	475606348	KIZKIXIQJOKYNP-LJQANCHMSA-N	423.516	5.566	30	20	HKED	
C[C@H](NC(=O)C1(C#N)CCCCC1)c1nc(-c2ccc(Br)cc2)cs1	478515694	HNAUBFJZIWETNI-ZDUSSCGKSA-N	418.360	5.224	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1COC(C)(C)CC	480047276	PQPNLQWAJYZCCI-UHFFFAOYSA-N	412.578	5.779	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc(OCCCC#N)c1	482102613	UIRFERVSOSUJQB-UHFFFAOYSA-N	422.916	5.137	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1nc(-c2ccncc2)cs1	483527689	CMUJAVWVGHKRJY-SFHVURJKSA-N	422.469	5.503	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1	489478993	ALYDBKHJDHFJPG-DEOSSOPVSA-N	406.574	5.223	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1cc(Oc2cccc(Br)c2)ccn1	494169862	YRJIVXVFGYGURY-UHFFFAOYSA-N	416.319	5.038	30	20	HKED	
O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	498360463	QNJCEDNEOXFEQV-HNNXBMFYSA-N	424.360	5.288	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)CN1Cc1ccccc1	499891439	VXRPUBGACPQPFY-SLFFLAALSA-N	422.598	5.208	30	20	HKED	
Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1CC(C)C	501364145	JNLVNJKUJZNKQY-UHFFFAOYSA-N	404.539	5.264	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21	501572180	XCYKZYDZDGVXCQ-HXUWFJFHSA-N	418.493	5.492	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(OC(F)F)c4ncccc34)CC2)cc1	503606547	CIGAOGRHECYKLC-UHFFFAOYSA-N	420.419	5.029	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	504084177	AKRMMJWNYPJFNA-UHFFFAOYSA-N	419.428	5.378	30	20	HKED	
Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1	504562556	ZCQMSBJXVJCAGY-CQSZACIVSA-N	422.238	5.044	30	20	HKED	
CCCCOc1ccc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC	506197292	VFXPLUBBKSPXTF-KRWDZBQOSA-N	409.530	5.558	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c2cc(Br)ccc2n1	508849935	CSCMTVXJYMLVPZ-UHFFFAOYSA-N	400.663	5.083	30	20	HKED	
CCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510005230	MJZOLTQBMHOPLQ-QFIPXVFZSA-N	403.913	6.049	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C	510750188	SSGSCXDWWJXGOR-RBUKOAKNSA-N	406.530	5.043	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(CC1CCCCC1)CC1CCCCC1	512864809	PNJINGRKCUNXDA-UHFFFAOYSA-N	411.590	5.198	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1	513172875	WGWVATIQACRHFQ-SFHVURJKSA-N	423.394	5.151	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)c1cccc(COc2ccccc2C#N)c1	513444545	SEZGGKGXKIEFFN-UHFFFAOYSA-N	413.502	5.019	30	20	HKED	
CC[C@]1(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)OCCc2ccccc21	514818538	MWWKPLAGWXRZMQ-GAJHUEQPSA-N	409.555	5.081	30	20	HKED	
C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2S1	515600253	ZBQVKHHSADPWOG-MRXNPFEDSA-N	404.491	5.261	30	20	HKED	
N#Cc1cccc(/C=C/c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)c1	518835161	DVVJUXMVHRWRDU-BQYQJAHWSA-N	408.339	5.452	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)cc2)nc1	518907053	JUUDEEWHYIQUJH-UHFFFAOYSA-N	415.783	5.253	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519052132	KKNYRQQNBNMJNH-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc(Cl)c1Cl	519486533	NMXREVMNQNMARF-LZWOXQAQSA-N	424.125	5.240	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1SC(C)C	520540649	LVBWLDADMAHQTN-UHFFFAOYSA-N	404.967	5.139	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1	523016353	KGKBPHAYDZYTHZ-RXVVDRJESA-N	421.516	5.050	30	20	HKED	
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	524767827	MZLXZNOCJMPEOL-DNQXCXABSA-N	414.505	5.529	30	20	HKED	
C[C@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	525061173	WWWIKRNPIKFJLS-PXAZEXFGSA-N	414.349	5.599	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)oc12	527101624	GEHVXYMRVSHIFW-ZDUSSCGKSA-N	423.188	5.408	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1	532578526	OCBFDLBPSZQPNJ-FUHWJXTLSA-N	413.974	5.020	30	20	HKED	
C=CCC[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccc(C(F)(F)F)cc1	532726315	UNDOGYYIUPDMEH-LJQANCHMSA-N	404.411	5.222	30	20	HKED	
C=C[C@H](CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C)c1ccccc1	534605931	QZPOKNBZPBFMQD-LJQANCHMSA-N	400.526	5.278	30	20	HKED	
Cc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)nn1-c1ccc(Cl)c(Cl)c1	537526307	BDQOQWMMQLUQMJ-UHFFFAOYSA-N	414.296	5.023	30	20	HKED	
Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1C(C)C	539952866	ULMULEDGZGXLKW-UHFFFAOYSA-N	408.889	5.129	30	20	HKED	
CCCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1	540596315	SDFDOCOFAZRLSZ-CYFREDJKSA-N	404.558	5.007	30	20	HKED	
COc1ccc(CNc2ncc(Cc3ccccc3F)s2)cc1OCCCC#N	542750627	GWOOPLIFHNGDRI-UHFFFAOYSA-N	411.502	5.176	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1nc(-c2ccccc2)cs1	544486124	JLWFERJNBZHURT-INIZCTEOSA-N	409.580	5.378	30	20	HKED	
N#Cc1c(NC(=O)c2csc(C(F)(F)F)n2)sc2c1-c1ccccc1CC2	551514754	BDEKGJQKAHTWDP-UHFFFAOYSA-N	405.426	5.113	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)n1	553912099	FKOXMXUHNIYVDI-OAHLLOKOSA-N	421.551	5.304	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccnn2Cc2cccc3ccccc23)c1	558072111	LJAKZFQPIXCVSJ-UHFFFAOYSA-N	424.504	5.144	30	20	HKED	
Cc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)cc(Cl)c1Br	559497272	DCFQBYMDPAMQHT-UHFFFAOYSA-N	416.753	5.044	30	20	HKED	
Fc1cc([C@@H]2C[C@H]2c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)cc(F)c1F	565507054	DEPJEVVTGMJYJU-ZOWXZIJZSA-N	416.296	5.836	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)s3)cc2)ccn1	574795487	MROJKZKFALUZIT-UHFFFAOYSA-N	421.869	5.103	30	20	HKED	
Cc1cc(Br)cc(Cl)c1C(=O)Nc1cc(C#N)c2ccccc2n1	576310926	STJDHSMHEPYARG-UHFFFAOYSA-N	400.663	5.083	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(-c2ncon2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	578356293	HNRRAJRPELXBGA-INIZCTEOSA-N	409.449	5.158	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccc(Br)cc2n1	603957094	ZUWGUUICJCCTJW-UHFFFAOYSA-N	422.326	5.228	30	20	HKED	
COCCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1	603976479	BXAHTCORGQTENV-UHFFFAOYSA-N	418.518	5.295	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(F)ccc3N3CCCCC3)o2)cc1	609061085	NKGQSVJWUPXVJB-UHFFFAOYSA-N	419.456	5.112	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)c1	609073330	BOOFWOYNOIWKSP-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609103804	BKJXQEDJZZKRQI-UHFFFAOYSA-N	422.431	5.212	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209629	FFZGPIQZUBHYCM-UHFFFAOYSA-N	424.504	5.912	30	20	HKED	
COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N	609398825	UUUHVVKBIGQRCM-MJGOQNOKSA-N	409.555	5.186	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	609504860	HSNLTKXGVZMOEV-KRWDZBQOSA-N	417.534	5.737	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1	609556649	KSEMECPURZNSHJ-FBHNJWQJSA-N	421.541	5.096	30	20	HKED	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609919444	ROMRJTOPAJVRFM-DNVCBOLYSA-N	420.513	5.155	30	20	HKED	
CCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@@H](C)c1ccc(C#N)cc1	611183832	OBJQEANQERNWID-AWEZNQCLSA-N	411.477	5.843	30	20	HKED	
C=CCn1c(S[C@@H](C)c2c(F)cccc2F)nnc1[C@H]1COc2ccccc2O1	613908503	UXELMQZMPGVHJB-SCLBCKFNSA-N	415.465	5.108	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3cccc(C)c3c2Cl)cc1	619210252	BBAIRLLCFDSEBB-UHFFFAOYSA-N	424.953	5.930	30	20	HKED	
N#C[C@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1cc(C(F)(F)F)ccn1	643779412	XGDDNRDTRMIEFG-VIFPVBQESA-N	415.223	6.112	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1cccs1	676073632	IFHONCZERXFMSI-LBPRGKRZSA-N	421.494	5.158	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C	682803886	XAGVDIGCAQFBOP-UHFFFAOYSA-N	404.558	5.317	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)CCCC1(C)C	683531568	LMJFQDDDSOXXLT-GOSISDBHSA-N	423.479	5.653	30	20	HKED	
CC[C@@H](C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1)c1c(C)noc1C	726011830	VZUFHJCATIDDNL-JOCHJYFZSA-N	402.494	5.228	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(OCC(F)(F)F)cc1	727262257	OCNBLPNRNODXJZ-UHFFFAOYSA-N	422.838	5.280	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c(C(F)(F)F)c2)SC1=S	727491158	FZFAXUGFUFNYLM-OVCLIPMQSA-N	424.856	5.636	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C2/CCc3nc(-c4ccc(C)cc4)sc3C2=O)cs1	727654306	KUVAYFUOTOCNSM-WJDWOHSUSA-N	423.563	5.160	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3cccc(OCCC(=O)O)c3)s2)cc1	727654616	OOIMSZMADAIQBN-FLIBITNWSA-N	407.491	5.177	30	20	HKED	
N#CCOc1ccc(CNC(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cc1	727844797	MXOXJNORCFUWTH-VWLOTQADSA-N	413.521	5.152	30	20	HKED	
N#Cc1ccc(CN(Cn2nc(-c3ccccc3)sc2=S)CC(F)(F)F)cc1	729980845	IVEFCCPQSCRAGF-UHFFFAOYSA-N	420.485	5.235	30	20	HKED	
Cc1nc(CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)oc1-c1ccccc1	730398561	KKOJHZYVGBVAMT-MRXNPFEDSA-N	421.909	5.722	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(C)n1[C@H](C)c1ccccc1	730418342	URKSJQQOBJRIJH-QRWLVFNGSA-N	417.509	5.953	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12	730488370	LTQASSZRKPYJHN-UHFFFAOYSA-N	418.500	5.305	30	20	HKED	
CC(C)COc1ccc(C2(C(=O)[C@H](C#N)c3nc4ccccc4s3)CCC2)cc1	731769112	XCUKATGDNFWINB-IBGZPJMESA-N	404.535	5.629	30	20	HKED	
C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1	733621652	LHCMJBRQGGJXFY-BDYUSTAISA-N	409.533	5.928	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1	734738638	KYWHEDWSEOEPIF-CABCVRRESA-N	410.470	5.201	30	20	HKED	
COC(=O)[C@H](N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccc(C#N)cc1	739996817	CPGBYQYVGMQIAO-QMHKHESXSA-N	404.897	5.444	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C)c1nnc(-c2ccccc2)o1	740329846	WSCXBGDPCZXKQC-CYBMUJFWSA-N	418.371	5.238	30	20	HKED	
CCc1ccc([C@@H](COC)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	743093358	SIOGJUNBWPNGQJ-FGZHOGPDSA-N	403.482	5.007	30	20	HKED	
O=C(C=NOCc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(F)cc1	744179531	YFBJVGSLTCWZSG-UHFFFAOYSA-N	423.391	5.109	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)c1ccncc1	745826684	BVSXABAKFJOGGM-OAQYLSRUSA-N	417.475	5.872	30	20	HKED	
COCCN(CCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	746660369	QZVMXSSQCXXBFC-VWLOTQADSA-N	413.521	5.065	30	20	HKED	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	748943656	XGAWEJCGIVIEQK-LOSJGSFVSA-N	413.521	5.238	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	750685981	ANJFNXRVMKDZAT-LIRRHRJNSA-N	410.926	5.842	30	20	HKED	
CC[C@H](Oc1cccc(C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	750692529	RXLRFMZHNZNNLI-CTNGQTDRSA-N	406.507	5.161	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)c1	752313872	HOTBSLLCEHAEKO-AZUAARDMSA-N	404.432	5.196	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1Cl	753962415	NNBDUXQYUCUEJN-QGZVFWFLSA-N	416.337	5.275	30	20	HKED	
C=CCC[C@H](NC(=O)c1scnc1Br)c1ccc(C(F)(F)F)cc1	754377259	WLUSXAGNIFWUBZ-LBPRGKRZSA-N	419.266	5.362	30	20	HKED	
C[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1cccc(C#N)c1	756625298	IWZQVWBATIPQJN-WDEREUQCSA-N	424.136	5.201	30	20	HKED	
C#CCOc1ccccc1CNC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C	759321770	NOPQSHBAKJIOMM-GOSISDBHSA-N	419.550	5.033	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(C(C)(C)C)s1	759714841	WWHULFFFZQOOBG-CYBMUJFWSA-N	405.614	5.423	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F	761741484	FIVKMXRUYNIDTM-UHFFFAOYSA-N	402.397	5.151	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)n1	766383791	APYCHWRZOCODIX-WCQYABFASA-N	409.324	5.223	30	20	HKED	
COCCC1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCCCC1	775489838	YOFPXTANQATLNP-QHCPKHFHSA-N	405.542	5.451	30	20	HKED	
C[C@H](NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(OCC#N)cc1	776153285	BBJBFOKFLBSMQV-YADARESESA-N	417.578	5.101	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)c2cccc(Br)n2)cc1	776380808	RVNCSSUGJBYPCO-UHFFFAOYSA-N	422.282	5.093	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	776848150	DRUVUADDWPJIRJ-MRXNPFEDSA-N	412.555	5.803	30	20	HKED	
CC[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	781775127	ALXLUKFOXOSVAP-XNRPHZJLSA-N	423.365	5.888	30	20	HKED	
O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(CSC2CCOCC2)c1	790652202	XPJLDRHRULYCPF-UHFFFAOYSA-N	419.468	5.108	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)s1	797567371	HGEIVQRGGMONJO-CQSZACIVSA-N	415.971	5.636	30	20	HKED	
COc1cc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)ccc1OCc1ccccc1	806563022	QWVHPKIHAVDUQF-QUYTYNJFSA-N	414.457	5.112	30	20	HKED	
O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)C12CC(C(F)(F)F)(C1)C2	810722384	TZIHXNCCKDMPIR-UHFFFAOYSA-N	410.207	5.038	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1F	812310768	CXHXBRVKHRDBIW-KRWDZBQOSA-N	423.435	5.115	30	20	HKED	
CC(C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-]	814578179	XVVSGQZZSVEMGX-HXUWFJFHSA-N	414.465	5.307	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C#N)C1	875468687	VFCOYVHAGQNXFU-CYBMUJFWSA-N	406.507	5.129	30	20	HKED	
Cc1sc2ncn(N=Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c(=O)c2c1C	916310983	UOBJKVWNURMPQL-UHFFFAOYSA-N	411.571	5.258	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(-c2ccccc2)o1	916904193	YFTVJNOJAYTYSM-JOCHJYFZSA-N	414.505	5.352	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)c3ccccc3SCC#N)c2)cc1	921169776	YOSSNKDXNKKEGK-UHFFFAOYSA-N	418.518	5.280	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2ccc(OCC(F)(F)F)cc2)cc1	921265836	SNXAWQZSUKLLGW-XGICHPGQSA-N	406.404	5.054	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5s4)CCC3)cc2)C1	1785807856	SCJGSEPWBNIBFI-UHFFFAOYSA-N	417.534	5.010	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1	1790649971	UNURJALMEUUNFC-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1	1821923993	UNCCSRMGAIZKGE-UTKZUKDTSA-N	408.546	5.051	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2C)CC1	1824140823	MGZIUZIITLVDQD-OAQYLSRUSA-N	414.615	5.058	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)CC1	1831508409	BRTWMBMEFLNRBD-HFMPRLQTSA-N	410.602	5.012	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(F)cc1	6094258	HTGAGKDWFXCSSD-ZDUSSCGKSA-N	416.909	5.043	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCCCc2nc(-c3cccs3)no2)n1	27870021	BHOLEDSCXOAFNK-UHFFFAOYSA-N	410.446	5.117	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccccc3-c3ccccc3C#N)[nH]c2c1	61231924	AAALMCPMMDNHRZ-XMMPIXPASA-N	406.489	5.387	30	20	HKED	
CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3SCCC#N)cs2)cc1	78668336	OLOFZZZAYNBRNA-UHFFFAOYSA-N	423.563	5.396	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1	78668641	QUIOHHKALGVXDF-UHFFFAOYSA-N	407.539	5.463	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1Cl	237511637	KQYDKOFLIDNAOZ-QGZVFWFLSA-N	421.928	5.403	30	20	HKED	
O=C(Nc1ccc(F)cn1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	409470422	PVDXCMDSSWQKSN-QSOZTJJNSA-N	424.360	5.282	30	20	HKED	
C[C@@H](NC(=O)CN[C@H](CCCC#N)c1ccccc1)c1ccc(Cl)cc1Cl	433013573	XZVGLBYIASHQNK-FOIQADDNSA-N	404.341	5.195	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F	433141322	NYDZWKFMJCIOCX-WBVHZDCISA-N	421.488	5.939	30	20	HKED	
N#Cc1ccnc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)c1	436001873	OSDAMIIXSGOEDS-UHFFFAOYSA-N	424.323	5.260	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccccc2)co1	436253624	QFIJUDFQSGLKCM-OAHLLOKOSA-N	409.536	5.467	30	20	HKED	
CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	437972391	RRFTWAJSCCOLPC-GOSISDBHSA-N	411.571	5.441	30	20	HKED	
C[C@](Cc1nc2ccccc2s1)(C(=O)NCC1CCC(C#N)CC1)c1ccccc1	441147162	WZITYLMUNNDJRZ-ZPHNUYGRSA-N	417.578	5.243	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1	442185842	CBORFKMLBIUDPQ-SFHVURJKSA-N	417.431	5.419	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)c1ccc(C(F)(F)F)cc1	442282732	IZPIXSBKPITDIZ-VDGAXYAQSA-N	420.479	5.202	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(C(C)C)nn(C)c4s3)n2)cc1	442685316	UUETXQDBCCDKSW-MRXNPFEDSA-N	420.563	5.680	30	20	HKED	
Cc1csc(NC(=O)CSCCC(C#N)(c2ccccc2)c2ccccc2)n1	443478517	UVEXVXUJALMUNT-UHFFFAOYSA-N	407.564	5.023	30	20	HKED	
O=C(CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1	444745215	SPURYKRNADXBQC-OAHLLOKOSA-N	408.317	5.066	30	20	HKED	
C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]1c1ccc(Br)s1	460929589	CMKMGTHNEMSDOI-AWEZNQCLSA-N	418.364	5.015	30	20	HKED	
C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1	460943752	AIKVFSKHXNCEDW-FKBYEOEOSA-N	424.589	5.123	30	20	HKED	
C[C@H](C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1cccc(C#N)c1	462467880	LFYOXROCFVVLSG-RNODOKPDSA-N	422.326	5.099	30	20	HKED	
COc1cc([C@H](C)NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1OC(C)C	465605137	QVXNPPYMNZQVRI-VLCRHTCISA-N	421.541	5.025	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1	467705000	OENVACSJIWYYME-DLBZAZTESA-N	405.527	5.007	30	20	HKED	
CSc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(Cl)cc1Cl	471283864	SAGIFXIYMOVFFH-LLVKDONJSA-N	411.379	6.362	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2)[nH]1)c1nc(-c2ccc(Cl)cc2)cs1	477784764	AYEIZPLDYNPTME-QGZVFWFLSA-N	403.894	5.949	30	20	HKED	
COc1cc(C[S@@](=O)CCCC2CCCC2)ccc1OCc1cccc(C#N)c1	478360562	IOKUQDKDCWQAHW-LJAQVGFWSA-N	411.567	5.365	30	20	HKED	
CN(Cc1ccc(Br)cc1Cl)C(=O)N[C@@H](CCC#N)c1ccccc1	479728063	FUGNVIUOUIRSOP-SFHVURJKSA-N	420.738	5.289	30	20	HKED	
C=CCn1c(SCc2csc(-c3cccs3)n2)nnc1-c1cccs1	481391297	PDTROVSREUAULC-UHFFFAOYSA-N	402.595	5.670	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(N5CCCC5)cc4)no3)cc2)nc1	482571808	CCJCXVIKUAKKLF-UHFFFAOYSA-N	409.449	5.063	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Br)c1ccc(C#N)cc1	483431996	TVMJGMAQQLNUNP-JTQLQIEISA-N	412.209	5.222	30	20	HKED	
CCc1ccc([C@@H]2CN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CCO2)cc1	484149040	WBMFIBBSQNKKAQ-UWJYYQICSA-N	409.555	5.249	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)N[C@@H](CCCC#N)c2ccccc2)c(Br)c1	487372805	OUUDEEFTHUSBAP-LPHOPBHVSA-N	415.331	5.076	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1Br)c1ccccc1	488705967	ZAWXCGDWJCPZJP-OAHLLOKOSA-N	404.304	5.155	30	20	HKED	
CCn1c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)nc2cc(C#N)ccc21	490767594	HJBPYSXACMWRKS-XFKLWTPLSA-N	416.447	5.015	30	20	HKED	
CCOCCOc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	499164651	QGPLWTRFORPUHK-LJQANCHMSA-N	406.507	5.024	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(Br)cc1	499430168	FZNRXXNJVVBZLD-HBMCJLEFSA-N	405.295	5.087	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1c(Cl)cccc1Cl	501022030	PTQSWUOEMMZBLH-UHFFFAOYSA-N	401.249	5.070	30	20	HKED	
CCOc1ccccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	502450923	QHMQPTRBVORJFY-UHFFFAOYSA-N	405.429	5.319	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	503198367	LCADJKQIRQADCS-UHFFFAOYSA-N	412.449	5.677	30	20	HKED	
C[C@@H]1c2cccc(Br)c2CCN1C(=O)N[C@H](CCC#N)c1ccccc1	509213365	UWJVFCKUEUFXGF-FOIQADDNSA-N	412.331	5.123	30	20	HKED	
COC(=O)c1ccc(F)c(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	511204198	SFFSAGZEIBTLKK-OAHLLOKOSA-N	409.301	5.024	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](c3ccccc3)C3CC3)c2)c1	511459681	GJCOYELRDBZHHB-QHCPKHFHSA-N	410.477	5.083	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1	517726155	LQJBRLUWIMNIEZ-RTBURBONSA-N	423.532	5.164	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3s2)cc1	518318935	HKSFSMKCXDFQOY-UHFFFAOYSA-N	404.516	5.860	30	20	HKED	
C=CCn1c(SCc2ccc(SC)c(OC)c2)nc2cc(Cl)ccc2c1=O	518822370	AKMPLIPOHNQOHD-UHFFFAOYSA-N	418.971	5.259	30	20	HKED	
C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2ccccc2F)n1	520129855	XKFRAGQGJPOTTP-UHFFFAOYSA-N	409.530	5.198	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	520713715	ZXLWORVGJUTNCJ-UHFFFAOYSA-N	404.441	5.161	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	521636686	GZTKESROJLHBKC-VXKWHMMOSA-N	414.461	5.110	30	20	HKED	
CCc1ccc(OCc2nnc(SCCC(C)(C)C#N)n2Cc2ccccc2)cc1	524691333	FIVYZJZERBVQKZ-UHFFFAOYSA-N	420.582	5.500	30	20	HKED	
Cc1cc(C)c(C#N)c(SCc2ncc(-c3ccccc3Br)o2)n1	525110398	JMOVPJZEHPAECN-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
N#C[C@H](C(=O)c1ncsc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	525860093	SBXPSSNFEWNNEJ-CYBMUJFWSA-N	423.469	5.702	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Cc2ccccc2F)CC1	531519825	JGEGNLQKUANXLA-KRWDZBQOSA-N	411.546	5.707	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1	532581435	WMHKDTXTLGXAQN-FUHWJXTLSA-N	413.974	5.162	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12)C1CC1	532820616	VBTDYQNCOJVKJN-OAHLLOKOSA-N	404.445	5.322	30	20	HKED	
CC(C)Cn1cc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C(F)F)n1	534886545	LRYWHPFBCNWVCL-ZDUSSCGKSA-N	407.490	5.372	30	20	HKED	
COc1cccc(C=C2CCN(Cc3ccc(OC)c(OCCCC#N)c3)CC2)c1	537701958	UDIZCMDZEXUSAN-UHFFFAOYSA-N	406.526	5.066	30	20	HKED	
C=CCC[C@H](NC1CCN(Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1	537950235	NKZBOKLWTLBQHS-QFIPXVFZSA-N	403.492	5.362	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1Cl	538215136	NRAFLLDNBWJYSN-KGLIPLIRSA-N	422.381	5.677	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	539048303	DHUHWKLISXSFKZ-FOIQADDNSA-N	420.475	6.031	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)cc1	541187934	FFWORAUIZKWHQE-OAQYLSRUSA-N	409.445	5.356	30	20	HKED	
CC(C)OCCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	543968180	ACLSDASAEDGJCS-UHFFFAOYSA-N	401.894	5.331	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1	553055198	WONXRWBUWUMKIG-YADHBBJMSA-N	402.494	5.276	30	20	HKED	
COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)C2	557727132	AWTNEGSENAMHFG-UHFFFAOYSA-N	413.477	5.339	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3cc(O)nc4ccccc34)no2)c2ccccc21	558393327	LIGLLHDPVVDUNB-ZHACJKMWSA-N	407.433	5.029	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCc2ccc(C#N)cc21	559475062	ZZFXNQVPPLTEGI-UHFFFAOYSA-N	423.472	5.098	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c2ccccc21	561270083	ZUUJGUZFXKKJOS-NRFANRHFSA-N	424.426	5.460	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc(Cl)c1Br	565438426	WACDHDGDLPUIPV-NSHDSACASA-N	405.704	5.511	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	565675008	OFHQQSNJWKONFY-LJQANCHMSA-N	405.501	5.268	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)CC2	569514066	VEPNWHOIAFLHEG-FGZHOGPDSA-N	400.444	5.322	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	583100711	VTODCDRRNLJTIZ-HTAPYJJXSA-N	423.582	5.037	30	20	HKED	
N#C[C@@H](C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)c1nc2ccccc2o1	596533607	UDUXBZXWUGSDQF-SFHVURJKSA-N	405.413	5.640	30	20	HKED	
Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603622342	SZWOWOTZUYKCJY-UHFFFAOYSA-N	408.461	5.092	30	20	HKED	
CC(C)CN(CCc1ccccc1)C(=O)c1ccc(COc2ccccc2C#N)o1	603872996	PILFZCWCSUKKII-UHFFFAOYSA-N	402.494	5.071	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(Br)s2)sc2c1-c1ccccc1CC2	603990935	GQMPHHSMJCHXBH-UHFFFAOYSA-N	415.337	5.462	30	20	HKED	
CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccccc1)c1ccc(F)cc1	609304702	NOYYGAAIMRHTNL-RUZDIDTESA-N	411.480	5.556	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(F)c1	609693955	JRTRDWSVBXVOOL-MRXNPFEDSA-N	401.441	5.082	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1Cl	610220425	COPZMLSAVXWMSC-UHFFFAOYSA-N	419.655	5.353	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C1CC1	611167458	PQVXWWMPZKNTNC-OAHLLOKOSA-N	401.470	5.043	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4F)c3C)n2)cc1	613314429	OSNKDXWSLHQWLJ-KRWDZBQOSA-N	416.481	5.242	30	20	HKED	
Cc1csc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1Br	617106145	YGUJIWCLSLSUAW-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cc(CCc2ccccc2)[nH]n1	617273276	RNESGNMGPLVNOP-INIZCTEOSA-N	405.527	5.233	30	20	HKED	
Cc1cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)cc1F	672777165	BPTGKGANALKGKM-MYJAWHEDSA-N	420.756	5.819	30	20	HKED	
C[C@H](NC1CCN(CC(F)F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	675791688	DPJHYQDWHDDZEA-JTQLQIEISA-N	404.345	5.104	30	20	HKED	
C=CCN(C(=O)c1cc(OC)c(OC)cc1Cl)c1nc(-c2ccccc2)cs1	677185454	RGYYERHFFBOYRI-UHFFFAOYSA-N	414.914	5.314	30	20	HKED	
C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H]1c1cccs1	685545430	BDNBUEZFIYFNOF-HXUWFJFHSA-N	401.539	5.391	30	20	HKED	
N#CCOc1ccc(CNC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cc1	727844796	MXOXJNORCFUWTH-RUZDIDTESA-N	413.521	5.152	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc2ccccc2n1C(F)F	727953797	GRTCDVVKTGIUER-LJQANCHMSA-N	423.463	5.562	30	20	HKED	
C=CCNC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	728078567	KUBHYFUACIVNID-UHFFFAOYSA-N	419.550	5.031	30	20	HKED	
C#Cc1cccc(N(C(=O)c2sc(COc3ccc(F)cc3)nc2C)C(C)C)c1	728246789	IDPJOZZTQBTULT-UHFFFAOYSA-N	408.498	5.206	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Br)cc2F)c(C)n1-c1ccc(C#N)cc1	729296271	XEHOPRVVICNOEF-UHFFFAOYSA-N	412.262	5.120	30	20	HKED	
Cc1cccc2c1CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2	729557595	UYUJGCNGKDEUNW-HSZRJFAPSA-N	415.924	5.894	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c1	733802080	WJXYGZWVAMWRTC-BBRMVZONSA-N	406.313	5.235	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)COc1cccc(C#N)c1	733862488	VAYYSOJIJWQBEH-OAHLLOKOSA-N	422.506	5.080	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C/C(=O)c2c(Cl)nc3ccccn23)c1	737446448	SPMLEJLWSBKBHC-VAWYXSNFSA-N	413.864	5.334	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc21	740443172	AQWFRQXKSMTYOD-UHFFFAOYSA-N	415.522	5.539	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	741175279	XKXODKPQIMFOCR-UHFFFAOYSA-N	415.449	5.129	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cn1c(C2CC2)nn(-c2ccccc2)c1=S	746033755	XBHVBTIHZDGUHE-UHFFFAOYSA-N	403.555	5.020	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2sc3ccccc3c2Cl)c1C#N	746950014	NFGVBAQQSLRHFA-UHFFFAOYSA-N	424.938	5.586	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)cs1	749211902	PWPGCEGHIKCILY-UHFFFAOYSA-N	406.511	5.099	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3ccncc3)cc2F)cc1	751535494	NTMUTPQTJQFEMN-RMKNXTFCSA-N	413.452	5.096	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4cccc(F)c4)CC3)cn2)cc1	752637636	LFRFYTWWUBBNNB-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1C#N	752795278	CFOAHOYBEQBWAJ-LBPRGKRZSA-N	411.849	5.003	30	20	HKED	
C#CC[C@H](NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)c1ccccc1	756995343	GOEQSCOPNDYHAR-QHCPKHFHSA-N	416.477	5.037	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3c(F)cccc3C2)cc1	757881496	SQEPHDGURKELQB-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
Fc1ccc(C(F)(F)F)cc1NN=Cc1c(F)ccc(C2OCCO2)c1Cl	761828168	NQRSLQNOLMJLRX-UHFFFAOYSA-N	406.738	5.128	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1	762994056	LNPWWGZUMBTUGE-DEOSSOPVSA-N	414.505	5.021	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2cccc(COC3CCOCC3)c2)cc1	765923743	CKFJMHXANSTNMD-IBGZPJMESA-N	415.961	5.364	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=CC1CCC(C(F)(F)F)CC1)CCCCC3	767366073	DGPXQOZIASNQDM-UHFFFAOYSA-N	411.493	5.238	30	20	HKED	
CCCCN(CC)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1	770118882	MHOXYSMNPNKCBU-FQEVSTJZSA-N	404.539	5.322	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1	770562434	DHJYNEDDGVCWFS-QGZVFWFLSA-N	407.514	5.277	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)cc2)cs1	772637907	AJJBOCXNLAXIMH-PFCIRRJZSA-N	400.290	5.402	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(CC(C)C)[C@@H]2CCCc3cccnc32)c1=S	774616025	YQJZEFGQQUGVOT-LJQANCHMSA-N	423.586	5.248	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC1(c2cccc(C#N)c2)CC1	776252829	IBLLOTFLPTXUAV-UHFFFAOYSA-N	404.945	5.359	30	20	HKED	
N#CCOc1cc(F)ccc1NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1	779609234	KVFIKAGZPILYIW-UHFFFAOYSA-N	409.848	5.246	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(C3CCCCC3)c2C)cc1	781448119	MGRCLAWTTIMXLQ-OAQYLSRUSA-N	406.530	5.001	30	20	HKED	
N#CCSc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1	789455418	KWEBJIBGEXEKNW-OAHLLOKOSA-N	420.365	5.008	30	20	HKED	
CCCC1CCC(N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1	792458077	ZEBGECZGFXDGRE-TVNWEXPRSA-N	417.553	5.098	30	20	HKED	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl	793127924	ZRCFFGSSHBUFCY-ZBFHGGJFSA-N	422.834	5.275	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C/C(=O)c1cc(Cl)c(N)c(Cl)c1	794699342	BNXOIKLNQXZEPX-AATRIKPKSA-N	407.688	5.014	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(F)cccc2Br)S1	794869869	OLSGVZNQMAVZKP-DHDCSXOGSA-N	405.292	5.097	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1cccc(CC(C)C)c1	796788615	KFLNEEPZWUYURO-MBSDFSHPSA-N	404.554	5.461	30	20	HKED	
C[C@@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1nc2ccccc2n1C(F)F	796847396	UEAAGMPTCSWIPS-GFCCVEGCSA-N	401.388	5.024	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CCOCC1	800104219	WETUPOKKPHOQFZ-UHFFFAOYSA-N	413.901	5.176	30	20	HKED	
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F	804198360	NZAHBZNXBWRFRB-UHFFFAOYSA-N	417.227	5.316	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)cc1	804315358	GXCRSTBCIFPCOM-UHFFFAOYSA-N	414.534	5.095	30	20	HKED	
N#C[C@H](C(=O)CCSc1cccc(Cl)c1)c1nc2ccccc2n1C(F)F	808979517	WJPRENNREOQQCX-CQSZACIVSA-N	405.857	5.443	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1cc(C(F)(F)F)ccn1	813212359	AQDABGZTXUQATM-SNVBAGLBSA-N	421.227	5.308	30	20	HKED	
N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813213594	OGMLSKKXPWZVAM-IBGZPJMESA-N	410.395	5.083	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813215295	WFLMDNUOGSFKBC-YGRLFVJLSA-N	401.215	5.462	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(Br)c1	813217256	JZGAPSVIIVFXOP-WSNITJDQSA-N	409.205	5.061	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OCC	915087503	UITIBXNGSGWNEZ-QFIPXVFZSA-N	400.478	5.392	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915351742	BYBAQRSRVAARIJ-BXKMTCNYSA-N	412.493	5.183	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1sc2ccccc2c1Cl	916943464	XMGKCLGJYGEAFP-CYBMUJFWSA-N	423.708	5.823	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cs1	917559530	LCUYMBKIIDUTLJ-MDWZMJQESA-N	424.497	5.650	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(F)cc1	920806353	VOXJIUZUCRGSSD-IUODEOHRSA-N	400.425	5.597	30	20	HKED	
Cc1ccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c(Cl)c1	1473241232	WDKYMRZEFVBTKH-UHFFFAOYSA-N	402.885	5.309	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)c3ccccc3)CCC2)cc1	1791299141	SLTHSSNFABETQL-LJQANCHMSA-N	416.443	5.043	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1	1829071317	SXCQWLKLOWBHTJ-JOCHJYFZSA-N	414.634	5.179	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)cc2)c1	10832738	TYLOMEOSWLMNQV-UHFFFAOYSA-O	421.973	5.476	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C/c2cc(Cl)c3c(c2)OCCCO3)S1	26762324	ALTIOXGATWIBBY-BOPFTXTBSA-N	414.914	5.010	30	20	HKED	
Cc1nc(C)c(C#N)c(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n1	29675284	YMEBBXHCLWJFGI-UHFFFAOYSA-N	424.913	5.142	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1	55429631	ZUPOOUHDQAXLQM-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2cccc(-c3ccccc3C)c2)ccc1OC	237021628	KESMBZHGKJMWRR-QHCPKHFHSA-N	400.522	5.641	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1csc2ccccc12	303402048	RHQAMNTZIYWBHG-INIZCTEOSA-N	409.580	5.224	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	303486526	REKIBERHTJDWQQ-MJGOQNOKSA-N	412.967	6.211	30	20	HKED	
CN(C)c1ccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1	410154905	QLBMCAZIZRJQMQ-UHFFFAOYSA-N	423.332	5.251	30	20	HKED	
Cc1c(-c2nc(C3(c4ccccc4)CCOCC3)no2)sc2ccc(C#N)cc12	426628050	JZXORRSWBIVPSG-UHFFFAOYSA-N	401.491	5.228	30	20	HKED	
COc1cccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c1OC1CCCC1	431932751	ARPURJBZXICTKY-JOCHJYFZSA-N	421.541	5.251	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	435996008	OMBBNKHBUBDVCA-OAQYLSRUSA-N	416.550	5.293	30	20	HKED	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	438985291	NDRPTSVVCCDJML-KBPBESRZSA-N	410.486	5.823	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CN4CCCC(C)(C)[C@H]4C#N)nc(O)c23)cc1	444718753	PHCFCRBIFHABGG-QGZVFWFLSA-N	406.555	5.195	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1	444904376	HUSIDHLYNCECNC-OXQOHEQNSA-N	413.974	6.351	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c(F)c1	446034244	XADVWBZKIVINNJ-UHFFFAOYSA-N	406.763	5.397	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1	461100887	BSYRUEJTFOHBRN-BBWFWOEESA-N	413.226	5.497	30	20	HKED	
CCCCOc1ccc(-c2nnc(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)o2)cc1	464825698	XZNOPWISQCKRSJ-GOTSBHOMSA-N	416.525	5.187	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1	464941983	VKDQXPUSULCOCY-CTNGQTDRSA-N	419.912	5.226	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)c(C(F)(F)F)c1	468114563	DTNIRSRCDZDRNH-UHFFFAOYSA-N	409.301	5.823	30	20	HKED	
CCOCCC1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCCC1	472807679	UOJSHFYGRRLPFX-UHFFFAOYSA-N	422.594	5.567	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)C3(C#N)CCCC3)cc2Cl)n1	474397815	RQECYGVHUAEVQQ-UHFFFAOYSA-N	404.923	5.304	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1	475760300	DGVNJPMAQGLPMT-UHFFFAOYSA-N	418.884	5.041	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3F)n2Cc2ccco2)cc1	481362110	DMBFFCLCHFNBMH-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1Cl	483045031	CIOQLGSLKTYYQW-GOSISDBHSA-N	422.941	5.651	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1	483089295	PPLQIZXSUHZYOO-PGRDOPGGSA-N	407.514	5.374	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc2cc(F)c(C)cc2s1	483371603	BKJMWGTVEUFSKP-UHFFFAOYSA-N	401.511	5.131	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(CCC(C)C)c1C(C)C	483522959	RFJAVWOWROXWNH-UHFFFAOYSA-N	414.598	5.440	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1	485752680	IFRBZRGESFWTRH-UHFFFAOYSA-N	412.536	5.358	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCSc1ccccc1Br)c1ccccc1	487456304	SVNHEABINJXQLC-GOSISDBHSA-N	417.372	5.483	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1cccc(Cl)c1Cl	488752414	XQADSIQKJHCZID-MRVPVSSYSA-N	420.243	5.398	30	20	HKED	
Cc1ccccc1Nc1nc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cs1	488773516	WHVRKXURIDBHJD-UHFFFAOYSA-N	406.898	5.083	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccccc1C	488902876	WNQOTTCOEZPMEY-MRXNPFEDSA-N	424.595	5.281	30	20	HKED	
COc1cc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(OC)c1C(C)C	492178849	NCMHHENOPOTUSV-HNNXBMFYSA-N	413.543	5.865	30	20	HKED	
Cc1ccc2snc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	497368566	XONYUOVLWQFEFI-MRXNPFEDSA-N	400.488	5.090	30	20	HKED	
C[C@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)c1cccc(C#N)c1	497872059	BILDFNXBKKINGC-YWZLYKJASA-N	416.443	5.059	30	20	HKED	
C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(-c2cccc(C#N)c2)cc1	498946685	HCDGYMKMGJOEBG-CQSZACIVSA-N	420.394	5.002	30	20	HKED	
COc1cc(CN(CCC#N)CCC#N)ccc1OCc1ccc(Cl)cc1Cl	499239285	HGQOIPIKPJEMIT-UHFFFAOYSA-N	418.324	5.210	30	20	HKED	
C=CCn1c(SCc2nn(-c3ccccc3)c3c2CCC3)nnc1-c1ccccc1	499342083	MLAYGNTYXGNUJF-UHFFFAOYSA-N	413.550	5.098	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	499346889	YDBPKFCBYVEOSK-UHFFFAOYSA-N	417.321	5.068	30	20	HKED	
Cc1nc(CCC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)oc1-c1ccccc1	501170759	CSJPUFLPAYGUBM-UHFFFAOYSA-N	414.490	5.217	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	503222365	BRAFUIODUMGZPR-UHFFFAOYSA-N	412.449	5.677	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3sc(C4CC4)nc3-c3ccccc3)CC2)cc1	503964465	YWXXGGNTYXNNAB-UHFFFAOYSA-N	411.530	5.489	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	505434666	ZIPQHQAJMMGKKI-HNNXBMFYSA-N	405.429	5.487	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1	506431961	YIGPYYQSCBOJIU-AZUAARDMSA-N	407.489	5.563	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3cccs3)C3CC3)c2)cc1	509912169	OMOMSWTZULCHQM-QHCPKHFHSA-N	417.534	5.666	30	20	HKED	
C[C@@H](NC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccc(Cl)cc1	510188963	HFPSSRUJZQIDDX-OAHLLOKOSA-N	407.926	5.243	30	20	HKED	
C[C@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	510763092	LXGSAPNLUSDBEP-CQSZACIVSA-N	405.420	5.096	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1	510875270	XJKXXJLYJYONAG-UHFFFAOYSA-N	412.486	5.908	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511564467	GBEUMQICDANOFX-OAHLLOKOSA-N	420.859	5.932	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccccc4)s3)n2)cc1	516270214	PSQHAVAQEMRUDL-KRWDZBQOSA-N	412.499	5.295	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccccc1OC(F)(F)F	518684863	PIZYYOAUQHUJOO-AWEZNQCLSA-N	423.460	5.501	30	20	HKED	
N#Cc1cccc(COc2cccc(N[C@H]3CCN(c4ccccc4Cl)C3=O)c2)c1	518977229	ZZBBZZHGKHMUSY-QFIPXVFZSA-N	417.896	5.008	30	20	HKED	
CCN(CC)Cc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	520195087	SOMBBXJNQJSFHT-SFHVURJKSA-N	410.587	5.244	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1	521112709	AZLAILJOZQJANI-UHFFFAOYSA-N	424.500	5.302	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	521885335	NRJYGOZOOKHHKN-ZDUSSCGKSA-N	408.335	5.482	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ncc(-c2ccccc2)o1	523545707	OWIAIGLZLCQRQT-SFHVURJKSA-N	423.472	5.283	30	20	HKED	
CC[C@](C)(C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	524234819	RXMALSVZEBSKJS-LJQANCHMSA-N	405.285	5.059	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccc(Cl)c1	533241075	MPTINIPUPNOBEY-OXJNMPFZSA-N	413.974	5.510	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1	534400564	YZJGSQYHXGRXJC-INIZCTEOSA-N	405.885	5.525	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1	534906292	NQNAQNGSJSQQJR-HNNXBMFYSA-N	408.889	5.272	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1c(Cl)cccc1Cl	535095994	MVZMAESFIGYKEM-SFHVURJKSA-N	416.695	5.703	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1	535789853	FGNADGMBTDHZBY-QHCPKHFHSA-N	401.466	5.168	30	20	HKED	
Cn1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(-c2ccccc2)n1	540234390	ZUGKBMKGHFCPNY-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
C[C@@H](NC(=O)NCc1ncc(C(C)(C)C)o1)c1ccc(-c2cccc(C#N)c2)cc1	542088276	SYMWOORLQSXSML-MRXNPFEDSA-N	402.498	5.071	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)NCc2ccc(C#N)cc2)c1	542415989	MQGPWUMEAKRAHK-LOSJGSFVSA-N	411.505	5.007	30	20	HKED	
C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543961967	ZWCULMXNBMJBPR-NRFANRHFSA-N	420.560	5.412	30	20	HKED	
Cc1cnc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	544451978	KQABOILGLYNLNJ-WBVHZDCISA-N	404.539	5.154	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(C#N)c(Cl)c2)n1	547959392	HXZFASRSVCPVMP-UHFFFAOYSA-N	415.280	5.366	30	20	HKED	
C=CCOc1ccc(CN[C@H](c2cncc(Br)c2)C2CC2)cc1Cl	556410550	VDQWPFVYFKQIGM-IBGZPJMESA-N	407.739	5.303	30	20	HKED	
CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	561403216	MPVCYXZVBFPBHB-UHFFFAOYSA-N	404.445	5.329	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)n1ccc2ccccc2c1=O	567072372	XJGUIFCGVKEQHU-GOSISDBHSA-N	423.472	5.174	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3ccccc3)C2)cc1	603502584	DHXCVNBPTRJZEY-QHCPKHFHSA-N	414.530	5.064	30	20	HKED	
N#CCc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1	603565716	STUJNQWRFDCAAK-UHFFFAOYSA-N	410.399	5.087	30	20	HKED	
Cc1ccccc1-c1noc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)n1	603818413	JCCQGWOXZOXSMD-UHFFFAOYSA-N	414.490	5.353	30	20	HKED	
CCN(C(=O)c1ccc(N2CCc3ccccc3C2)cc1)[C@@H](C)c1ccc(C#N)cc1	604497517	OIHNNTWMXMYHCU-FQEVSTJZSA-N	409.533	5.344	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(N3CCCCCC3)c2)cc1	607218767	IVNDKNSYROPCOP-UHFFFAOYSA-N	407.518	5.019	30	20	HKED	
C=CCn1c(SC[C@H](C#N)CCC#N)nc2scc(-c3ccc(C)cc3)c2c1=O	608850583	AYIDGJINFPCOMP-INIZCTEOSA-N	420.563	5.155	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1	609066653	PCNQVYYEOGVOKZ-UHFFFAOYSA-N	422.435	5.002	30	20	HKED	
CNc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-]	609164194	IHUUTNKBEYBCCC-SFHVURJKSA-N	420.856	5.198	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c(C)c2c1	609294623	UXVWWYCGBUIYDG-GOSISDBHSA-N	419.525	5.550	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)o1	609428110	LBXCVNPCFQULDN-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C[C@@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(Br)cc1	609825765	SCQVJBPMJCTNJA-HUUCEWRRSA-N	417.372	5.162	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Sc2ccccc2Cl)c1C	610053621	DQMAQPBKKGANCG-OAHLLOKOSA-N	410.930	5.134	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H](C)c3cccc(C#N)c3)s2)cc1	610351314	KVLZFKVXVZMFKJ-HOCLYGCPSA-N	420.538	5.120	30	20	HKED	
N#C[C@H](NC(=O)C12CC(c3ccccc3)(C1)C2)c1ccc(OCc2ccccc2)cc1	616911224	JVFWHMXMHUIPBW-NNTRXQOJSA-N	408.501	5.068	30	20	HKED	
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	619773787	BFYKRHDOTHGKOD-OSPHWJPCSA-N	418.566	5.279	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1Cl	619786772	OVXLXZVFNPCBJM-UHFFFAOYSA-N	419.872	5.177	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2c(F)cccc2c1)c1nc2cc(C(F)(F)F)ccc2s1	644786848	SXCIKXJMZJAKLH-ZDUSSCGKSA-N	415.371	5.492	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674987699	IQRWUSSZUVLLHF-GHMZBOCLSA-N	422.291	5.386	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cnn(C)c1C(F)F)c1ccc(C(F)(F)F)cc1	677624927	MGFLQSCHQOUJBA-CYBMUJFWSA-N	402.367	5.206	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1c(Cl)cccc1Cl	726321935	CGVUZGOSFCAZGN-KOLCDFICSA-N	409.725	6.236	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3cc(O)ccc3C2=O)cs1	726426958	AOBKFRHQDANRGQ-GDNBJRDFSA-N	424.909	5.399	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc2)cc1Cl	727839212	ZXHMSJYTJRGMCB-QHCPKHFHSA-N	419.912	5.020	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)n1-c1ccc(C#N)cc1	728265215	GQVMMBJJVFTDET-UHFFFAOYSA-N	413.399	5.159	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1	728698679	PDXYQBTVQJGJHO-VMOJBDSFSA-N	420.921	5.967	30	20	HKED	
CCn1cc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cn1	732530023	HKHYWBXOGCZCSW-NTEUORMPSA-N	414.328	5.002	30	20	HKED	
Cc1ccc(Oc2ccc(N[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)nc1	733324276	YWTMHYHIKQAXQY-HNNXBMFYSA-N	406.873	5.147	30	20	HKED	
C#CCCOc1ccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1	733326868	HQLHGLQZPFSDRL-RUZDIDTESA-N	413.496	5.109	30	20	HKED	
CN(C)C(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	734849674	LAECZOOVWQNZCG-QHCPKHFHSA-N	419.912	5.032	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1	737025252	MQUIDWKOYUZDPN-UHFFFAOYSA-N	423.557	5.316	30	20	HKED	
CC(C)(CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)NC(=O)OC(C)(C)C	737503465	PVKKNVFCNWHPIS-OAQYLSRUSA-N	421.541	5.364	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)nc1-c1ccccc1	740727511	QQIKDZXPMNKJOJ-FRFYRWIFSA-N	411.505	5.714	30	20	HKED	
O=C(/C=C/c1cc(Cl)ccc1OC1CCCC1)c1ccc(N2CCOC2=O)cc1	742433074	ODGVLRDJPUHQFM-YRNVUSSQSA-N	411.885	5.514	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)c3cc4sc5ccccc5c4s3)o2)cc1	744523953	YXCMEXXIYPPVSY-UHFFFAOYSA-N	417.471	5.395	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2Cl)cs1)c1ccc(F)cc1F	745998257	NOYJWKKDDAJBDB-CLFYSBASSA-N	418.852	5.655	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1	748698330	GKHOILNYNXRECU-XMMPIXPASA-N	405.457	5.153	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1	751014714	RJQDWSWCABWGDX-MRXNPFEDSA-N	403.507	5.407	30	20	HKED	
CC(=O)N(c1nc(/C=C2/C[C@H](C)c3ccccc3C2=O)cs1)c1ccc(F)cc1F	751536911	UZVHJELFMVZRJJ-OJNRTJSBSA-N	424.472	5.879	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)cn2)cc1	752183364	BLMBRUDYJQWMAT-HXUWFJFHSA-N	404.857	5.378	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(F)c(F)c3)n2)cc1	756230689	HUZWBMSEBVENDK-MRXNPFEDSA-N	410.445	5.236	30	20	HKED	
C#CC[C@H](NC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C)c1ccccc1	757064723	MZEYHFMDXUYOFW-NQIIRXRSSA-N	403.551	5.586	30	20	HKED	
C#CC[C@@H](OC(=O)C[C@@]1(CC)OCCc2c1[nH]c1c(CC)cccc21)c1ccccn1	759307490	GHEIJRPTHZDEQA-ATIYNZHBSA-N	416.521	5.001	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c1	760152245	DDLVHDYVMOFXLW-SFHVURJKSA-N	419.447	5.529	30	20	HKED	
C[C@@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)c2cc(C(F)(F)F)ccc2S1	760385177	BFZYWVDSMSQIEK-CQSZACIVSA-N	420.456	5.068	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2)c1	760802113	YUVXYVDMVCZIEX-XMMPIXPASA-N	418.468	5.610	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2)cc1	761815541	KGYXDZFDWCUXDP-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCC(F)(F)F)c2)cc1	770148428	YUENZNASAPPALR-OAQYLSRUSA-N	410.395	5.535	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1	772958981	JPGNPNPVPDPBCH-LSDHHAIUSA-N	411.958	6.086	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(C2CCCCC2)nc1C	775227023	MEAOLFDFUCIVDG-IBGZPJMESA-N	423.582	5.585	30	20	HKED	
COc1ccc(SCCCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	781450634	ULNFXHRKQAOVCH-LJQANCHMSA-N	408.548	5.567	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1	782557065	SBEIJTIIYLQZGN-INIZCTEOSA-N	423.476	5.466	30	20	HKED	
CC(C)COc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1Cl	788524665	TVWCGGQHTOMFKT-UHFFFAOYSA-N	409.921	5.159	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1nccc2ccccc12	792100268	DIGLREYXZNSRCP-CJFMBICVSA-N	412.489	6.084	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)[C@@H]2CCc3cc(Cl)ccc32)cc1	795418548	VAJFZZXSXQOCLR-HSZRJFAPSA-N	407.922	5.481	30	20	HKED	
Cc1noc(C2CCC(=NNc3ncnc4scc(-c5ccc(F)cc5)c34)CC2)n1	797400648	JJGGNPNOPYLNQN-UHFFFAOYSA-N	422.489	5.315	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)ccc1OC(F)(F)F	799456418	VVHIAGLFIZVQEI-MRXNPFEDSA-N	411.330	5.104	30	20	HKED	
CC(C)(C(=O)OCc1ccc(C2(C#N)CC2)cc1)c1csc(-c2cccs2)n1	799980662	PYTHMKJQRZGRIU-UHFFFAOYSA-N	408.548	5.448	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F	804359552	VVLUNLNNQSSQQR-SNVBAGLBSA-N	400.372	5.630	30	20	HKED	
C[C@@H](N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)cc1F	810263374	NJSIELQAPPEYER-VGOFRKELSA-N	411.521	5.394	30	20	HKED	
C[C@H](CC(C)(C)c1c[nH]c2ccccc12)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	812727592	SUPJIZLXYLTJTF-GOSISDBHSA-N	416.569	5.169	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1	813215408	XZBGLQAMLQBOCJ-GJZGRUSLSA-N	400.322	5.489	30	20	HKED	
C[C@@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104868	ODWSLMGVQDIXEP-ZYHUDNBSSA-N	408.376	5.098	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)COc2c(Cl)cccc2Cl)cc1	916913950	IQAUWCRELCZRFL-INIZCTEOSA-N	419.308	5.062	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1	919904621	PVGSBHXDMAUCKD-RBBKRZOGSA-N	417.896	5.641	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3cccc(C)c3)n2)cc1	920142555	LBFANMGSWKLEKX-IBGZPJMESA-N	408.548	5.237	30	20	HKED	
CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1-c1ccccc1C#N	921182570	DIIRYPPNLXRJIR-MRXNPFEDSA-N	416.502	5.131	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3c(F)cccc3C2=O)cs1	921263861	KAIXSPUIAYUZRU-LCYFTJDESA-N	412.873	5.443	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1	1286622840	KXTFDKJPFYLFND-AZUAARDMSA-N	414.981	5.000	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(Cl)c3)CCC2)cc1	1791584932	MQGYYWBVTDOTAQ-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
Cc1ccccc1-n1ccnc1SCC(=O)c1cn(CCC#N)c2ccccc12	7138307	YNDGVLJCKVUJED-UHFFFAOYSA-N	400.507	5.024	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(C)cc1C	10168370	ZHXWIHCIATWNDX-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(C(F)(F)F)cc1	26569610	WURSRKMCZYSGLM-UHFFFAOYSA-N	412.436	5.658	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3cnco3)cc2)cc1	55824009	OJHGZRDTYWCKAY-UHFFFAOYSA-N	409.445	5.239	30	20	HKED	
CCO[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	141712465	DUMOQHCNZYPSNM-XMMPIXPASA-N	400.478	5.048	30	20	HKED	
C=CCOc1ccc(CNCCc2ccc(-c3csc(C)n3)s2)cc1OC	302901694	UOUIJHLDULONJQ-UHFFFAOYSA-N	400.569	5.086	30	20	HKED	
C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	303310156	FLUOKINAHJYDCN-QGZVFWFLSA-N	401.466	5.199	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCSc4ccccc43)cc2)c1	303320870	HQXGJEDADULOCX-NRFANRHFSA-N	401.491	5.709	30	20	HKED	
Cc1csc(C2(NC(=O)c3cccc(OCc4ccccc4C#N)c3)CCCC2)n1	303579172	ZWLWJAASGZQRRY-UHFFFAOYSA-N	417.534	5.102	30	20	HKED	
CC(C)Sc1ccc(Cl)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	428713258	RXJJHRXQJBTXIB-UHFFFAOYSA-N	424.957	5.870	30	20	HKED	
N#CCCn1ncc(C(=O)N2CC=C(c3ccccc3Cl)CC2)c1-c1ccccc1	428791655	FLXSHZDWVGNZSW-UHFFFAOYSA-N	416.912	5.047	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(Br)cc1	431469184	BVMLORVXYSKNKY-HBGVWJBISA-N	411.343	5.241	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	432968168	VRWKYRSEAKHPHD-UHFFFAOYSA-N	414.387	5.303	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F	437493050	JXYNMKWZBQDOHV-UHFFFAOYSA-N	411.776	5.304	30	20	HKED	
C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437730687	CPCCSJHKHMPRLQ-UZUQRXQVSA-N	415.924	5.974	30	20	HKED	
CN(Cc1ccccc1Br)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438635085	KIUFLNDTWGLGDW-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	439076502	ILJSITWKVLNQJP-UHFFFAOYSA-N	401.853	5.223	30	20	HKED	
CCCc1c(NC(=O)N2Cc3ccccc3C[C@H]2CC)cnn1-c1cccc(C#N)c1	439687002	KQOOKGOZRIUMMP-OAQYLSRUSA-N	413.525	5.065	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1nnc(C(C)C)s1)c1ccc(C(F)(F)F)cc1	440868913	QGPGQYUBWIMRNG-HNNXBMFYSA-N	412.481	5.187	30	20	HKED	
C=CCn1c(SCc2nc(C3CCCC3)no2)nnc1-c1cccc(Cl)c1	443454651	NKUMUBYZZBFABH-UHFFFAOYSA-N	401.923	5.117	30	20	HKED	
Cc1ccsc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)c(C#N)n2)cc1	443521562	JCURATCJGUNPFN-UHFFFAOYSA-N	403.385	5.387	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccccn2)cc1	461103411	STUZYLHEAPVHKQ-KRWDZBQOSA-N	403.507	5.165	30	20	HKED	
CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1	461478558	HYXDVHCERHSLKV-UHFFFAOYSA-N	405.552	5.015	30	20	HKED	
N#Cc1cccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	466813349	DCNTUWUKXLTGKW-JOCHJYFZSA-N	414.896	5.231	30	20	HKED	
CC[C@H](C)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470844757	OKNROLKEBQAPRM-UUOWRZLLSA-N	403.526	5.038	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	471907377	UQXRYZQEYFMOIP-UHFFFAOYSA-N	405.542	5.709	30	20	HKED	
CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	475612447	MRTYSEWDOBMEGB-UHFFFAOYSA-N	418.522	5.350	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COC/C=C/c1ccccc1	477016608	DOXFZPVOBKRXHN-IZZDOVSWSA-N	412.489	5.114	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C1CC1	478503897	FKWKPRPMIRHPOU-INIZCTEOSA-N	400.482	5.648	30	20	HKED	
CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1	480803251	IIHJASRHTQUYMJ-OAQYLSRUSA-N	417.465	5.111	30	20	HKED	
Cc1ccc(-c2nnc(SCc3cc(C#N)ccc3F)n2Cc2ccco2)cc1	481336773	IKHJGWBUVHAUEH-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1cnc2ccccc2n1	483232575	SGIZAGYYQUXZPX-KRWDZBQOSA-N	421.485	5.034	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1NC(=O)Nc1ccccc1	483243086	XULUVBPCBSRUNU-LJQANCHMSA-N	421.460	5.072	30	20	HKED	
C=C(C)[C@H](NC(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccc(F)c(F)c1	483286286	QEFFVAZWCPTDTE-UZLBHIALSA-N	406.498	5.034	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1)O[C@H](C)C2	487456600	VBKANDRDRLSDTG-BHVFFLMSSA-N	418.537	5.064	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(-c3ccccc3)on2)cc1	488011359	UCLHMEPVHVGPSH-UHFFFAOYSA-N	411.436	5.195	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1	489014990	PSTGAMONHPFNOX-HXUWFJFHSA-N	404.897	5.891	30	20	HKED	
CC(C)n1ncc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1-c1ccccc1	489721543	WJPYCCNVCGEPLQ-SFHVURJKSA-N	413.308	5.432	30	20	HKED	
N#C[C@H](C(=O)c1csc(C2CC2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	492650047	ACMWEWGPUYOXKD-GFCCVEGCSA-N	420.346	5.941	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3F)c2)c1	497787156	SKADHTSQZGESJM-YADHBBJMSA-N	404.416	5.158	30	20	HKED	
N#Cc1ccsc1C(=O)N(Cc1ccsc1)c1ccc(Br)cc1	497985643	NNPDKLFAZFHZPQ-UHFFFAOYSA-N	403.326	5.291	30	20	HKED	
CCC[C@H](CC1CCCCC1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	499571619	MDXWAYQKJYEVRS-JOCHJYFZSA-N	409.574	5.122	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)s2)c(F)c1	501355464	BVSCERRYTHJOGQ-CQSZACIVSA-N	423.494	5.366	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)c1	503196145	FXCXIGRYOKRRPY-UHFFFAOYSA-N	417.465	5.328	30	20	HKED	
CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	503221759	CMEIIVIXOXUSIX-KKSFZXQISA-N	415.990	6.595	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nc(-c2ccccc2)cs1	503562139	ICUSFKWYCQWRRD-OAQYLSRUSA-N	411.486	5.274	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)c1	505992490	QPOIZWXYGXRXRN-SFHVURJKSA-N	416.333	5.349	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(CC#N)cc3)s2)cc1	506747648	IPIPDHBTZKTJHT-OAHLLOKOSA-N	406.511	5.076	30	20	HKED	
CC1CCC(Oc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)ccn2)CC1	506800675	KBOWXUYILHPBBN-UHFFFAOYSA-N	420.557	5.031	30	20	HKED	
CSc1ccccc1[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	508299500	CWJMIUDXBCAZBV-SFHVURJKSA-N	418.566	5.294	30	20	HKED	
O=C(Nc1ccccc1OCC(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509729689	QDBWPMZBHVOPET-AWEZNQCLSA-N	424.316	5.582	30	20	HKED	
Cc1ccc2oc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2n1	511552213	GLULBOGBXMOAIT-SFHVURJKSA-N	401.853	5.697	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	511992607	UYNPEQDBJXSDHE-QUCCMNQESA-N	401.432	5.055	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1C(C)C	512732413	AIEWIMISTYUADT-CQSZACIVSA-N	414.914	5.580	30	20	HKED	
C=CCN(C(=O)c1csc(-c2ncccc2F)n1)c1nc(-c2ccccc2)cs1	512935947	OKCSMDPPGXIMMM-UHFFFAOYSA-N	422.510	5.301	30	20	HKED	
Cc1occc1-c1nnc(SCc2cccc(C#N)c2F)n1Cc1ccccc1	513252899	QBFZKYCJMBVGGH-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	514574860	COKQCCRQORYJFW-LAUBAEHRSA-N	406.917	5.399	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1OCC(F)(F)F	515428250	FCSPABPULZGEBX-UHFFFAOYSA-N	404.319	5.151	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)SCc1coc(-c2ccc(Br)cc2)n1	516839056	ZPIUWUOHZCAAIX-AWEZNQCLSA-N	423.376	5.150	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)CC1	517903112	BGSLFRAFRKTIKC-UHFFFAOYSA-N	424.863	5.587	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)cc3)n2)cc1	518516451	DJDQXFCOCWJJAR-HXUWFJFHSA-N	406.507	5.344	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)n2)cc1	518907035	IRDMNEMOIBWXBJ-IAGOWNOFSA-N	413.424	5.443	30	20	HKED	
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1	518944806	FCQFXGBNALUKDK-UHFFFAOYSA-N	405.457	5.229	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)n1	519348933	XDRROQCPGDZUAZ-CYBMUJFWSA-N	408.426	5.569	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1	519632135	ZBRAHAMQXFVFND-UHFFFAOYSA-N	406.555	5.206	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2cnn(C(C)C)c2n1	521356862	YSGIDEGTUNCGNC-UHFFFAOYSA-N	411.465	5.237	30	20	HKED	
CC(C)Oc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(C(F)(F)F)c1	521526218	BUIJWLWXWNIPMM-UHFFFAOYSA-N	408.445	5.236	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1	521725417	BLHHHROYXLJTTE-SFHVURJKSA-N	402.519	5.770	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1	522632684	LABZNPYVKNLTBP-OAQYLSRUSA-N	417.896	5.331	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2csc(Nc3ccccn3)n2)cc1	522938732	QSBXYKNKNXLWFH-UHFFFAOYSA-N	413.462	5.198	30	20	HKED	
COc1cc(C[S@@](=O)[C@@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1	523009686	GKTUHBXDXUSDOR-RBSBEOHCSA-N	405.519	5.156	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1	523781779	RKTNVGZZAPABTL-LJQANCHMSA-N	415.493	6.153	30	20	HKED	
C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCO1	540657200	CUWWZXNMDYHGKF-UONOGXRCSA-N	404.388	5.123	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCc1ccccc1O	541421743	YMGNWVCRTHYFBN-UHFFFAOYSA-N	401.466	5.071	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1Cl	542931617	HFMQUOFVEGKIIY-SECBINFHSA-N	402.800	5.489	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1	543966038	CRLHLVUPEVYDAT-FYYLOGMGSA-N	413.525	5.128	30	20	HKED	
COC(=O)c1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	547767912	LHYQQOZZIQDNLP-OAHLLOKOSA-N	409.301	5.024	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)CC1	554602658	FLSACEYBSUHSSL-XMMPIXPASA-N	424.548	5.022	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](c4cccc(F)c4)C3)cc2)cc1	558088972	ZBYLLDRTAOOULB-NRFANRHFSA-N	400.453	5.314	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	588245337	LUXGNPILMLPDKX-JOCHJYFZSA-N	418.541	5.115	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1	589382012	IKDNXFPPHKBBPN-UHFFFAOYSA-N	410.477	5.142	30	20	HKED	
COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(CN[C@H](C)c2cccc(C#N)c2)c1	590114944	TUDCHEIVQOBRQI-BGYRXZFFSA-N	424.548	5.140	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@H](c1ccccc1)c1nccs1	590968123	UTZRPNOYDZFUPA-OAQYLSRUSA-N	415.543	5.516	30	20	HKED	
Cc1cccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)c1	603504678	FRXJUJKGQMEOEF-GOSISDBHSA-N	420.538	5.089	30	20	HKED	
C[C@H](OCCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1	603691797	DCXSXXBUWULGFS-SFHVURJKSA-N	416.481	5.035	30	20	HKED	
Cc1nc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1	604089904	RXDCMUNSBANKPS-UHFFFAOYSA-N	412.902	5.133	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COc2ccccc2)c1	604105171	BZXDQPRWMFDOTR-UHFFFAOYSA-N	413.521	5.259	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	604275986	DLVOQZBDZALRSZ-QZTJIDSGSA-N	412.377	5.788	30	20	HKED	
C[C@H](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1	609174660	RZXWSNYMCBFGSL-KOSHJBKYSA-N	402.469	5.279	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1	609369719	IMPNVFHUUBBBOY-ZDUSSCGKSA-N	410.486	5.830	30	20	HKED	
CC[C@@H](NC(=O)CNc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	609384732	NURCAHVDGOZQRM-CRAIPNDOSA-N	401.963	5.271	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccco3)c2)c1	609641274	NRARWUYELKNDMH-VWLOTQADSA-N	408.457	5.250	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c[nH]c2ccc(F)cc12	609644118	XSWBJGBAJHJQKF-UHFFFAOYSA-N	413.452	5.247	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@@H](C)c1cccnc1	609682198	QFNKCDKFBLAUSR-KRWDZBQOSA-N	416.481	5.369	30	20	HKED	
COc1cc(C[S@](=O)Cc2c(C)cccc2C)ccc1OCc1cccc(C#N)c1	610012647	YTZNIQNMPYCXEZ-PMERELPUSA-N	419.546	5.212	30	20	HKED	
N#Cc1c(SCc2nc(-c3ccsc3)no2)nc2c(c1-c1ccco1)CCC2	611142551	XLBDWCVGHYBOLS-UHFFFAOYSA-N	406.492	5.106	30	20	HKED	
CC(=O)N(C)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1	611183870	GZJKTWRUPAYOTI-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
N#C[C@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc(-c2ccccc2)cs1	613392489	VEAGBQRCEYZELG-GOSISDBHSA-N	421.485	5.010	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cc(Br)c(F)cc2Cl)cc1Cl	619789512	DRIQGFYJJGNEFE-UHFFFAOYSA-N	417.065	5.088	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](CC(F)(F)F)C1	622723664	LCVZYFHWUWZYNX-SECBINFHSA-N	407.276	5.529	30	20	HKED	
C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1OC(F)F	675739225	WFAXNFWLHFCMOX-UXCLJVHYSA-N	423.319	5.987	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12	679541672	WFUAQMJJLHGUAT-AWEZNQCLSA-N	420.469	5.462	30	20	HKED	
CC(C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O	726626171	AFNIHUCTQLCRKD-NVMNQCDNSA-N	414.939	5.405	30	20	HKED	
C#Cc1ccc(C(=O)N(CC=C)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)nc1	728801902	IWJJCOCYBVDBOD-UHFFFAOYSA-N	421.525	5.686	30	20	HKED	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	728837404	SCAYFGLGFIWCOZ-UHFFFAOYSA-N	422.344	5.115	30	20	HKED	
Cc1cccc2c1C/C(=C\c1cc(Br)c(O)c(Br)c1)C2=O	729151097	OXXYZOZVDYFARY-VZUCSPMQSA-N	408.089	5.048	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)c2ccccc21	730872637	BLBUBDVYEMEFTO-PKTZIBPZSA-N	422.484	5.238	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3C(=O)O)c2)c(F)c1	731562892	JTABAGQHXODREG-XFXZXTDPSA-N	406.409	5.008	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2cc(-c3ccccc3)ccc2Cl)c1OC	732074496	QTWNUTHZCLKFMW-HXUWFJFHSA-N	406.869	5.019	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Cc3csc(-c4cccs4)n3)c2)s1	739598286	HESWNWAHAJILAX-UHFFFAOYSA-N	421.572	5.331	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1-c1ccc(Cl)cc1	740048134	QOIBWFYGIZXHKA-QGZVFWFLSA-N	419.912	5.470	30	20	HKED	
O=C(/C=C/c1cnc2ccc(Br)cn12)c1c[nH]c2cc(Cl)ccc12	740765250	TXAZIHKKGZTTKP-HWKANZROSA-N	400.663	5.128	30	20	HKED	
CCOCCCNC(=S)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	743011845	SMTYZRDPNLORQY-UHFFFAOYSA-N	423.460	5.082	30	20	HKED	
COc1ccc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1C#N	746601218	WUUFUFPTZYDUPC-UHFFFAOYSA-N	405.957	5.489	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc(Cl)c1OC	747122492	NUOBKWSMYXCWAO-BAQGIRSFSA-N	412.825	5.212	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	751060151	YBJGMODDBPDGFR-UHFFFAOYSA-N	418.396	5.318	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](OC(C)(C)C)c3ccccc3)n2)cc1	754528209	HZOYJYIYEIREFO-KNQAVFIVSA-N	420.534	5.551	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)ccc1Cl	754658074	JPDCNLKDTMNVKZ-UHFFFAOYSA-N	404.478	5.533	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)CSc1ccc(F)cc1	756233282	JBBYAFLQOTWKQQ-FOIQADDNSA-N	412.530	5.026	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2COc3c(Cl)cccc32)cc1	757812267	CMRXJLVYTNJELN-CTNGQTDRSA-N	403.869	5.251	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	759912179	RYXQSBHCORNOIO-QFIPXVFZSA-N	408.461	5.950	30	20	HKED	
C[C@H](Nc1ccc(F)cc1OCC#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	760215305	GQQCRSSVHQZNCO-JTQLQIEISA-N	407.232	5.258	30	20	HKED	
CC(C)(C)OC(=O)NC[C@@H](NCc1cccc(C#N)c1)c1ccc2ccccc2c1	761328407	ABXAWZVCTMFOKI-HSZRJFAPSA-N	401.510	5.067	30	20	HKED	
COc1ccc(/C=C/C(=O)c2c[nH]c3ccc(OC)cc23)c(OCc2cccnc2)c1	766492365	WTWXPICYGRQTCH-UXBLZVDNSA-N	414.461	5.055	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1	766616866	LGGHOMGOVVLFDH-HZMBPMFUSA-N	419.731	5.692	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc3c2OCC[C@H]3O)c1	768475452	HJSZVGDCFKABRO-HXUWFJFHSA-N	420.852	5.072	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](C3CCCCC3)C2=O)cc1Cl	771820105	QWXBMRIETQPRSS-PZJWPPBQSA-N	407.901	5.001	30	20	HKED	
Cc1c(C(=O)OC[C@@H](C#N)Cc2cccs2)sc2nc(C(F)(F)F)ccc12	772736680	NZBDWSFIMMBENQ-LLVKDONJSA-N	410.442	5.224	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)CSCc1ccccc1	772970224	BCMHRYDYGGUFAS-DYESRHJHSA-N	408.567	5.028	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H]2CCCSc3ccc(Cl)cc32)ccc1OC	772986069	NHMXTNRUZLJKAM-MJGOQNOKSA-N	416.974	5.746	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)ccc1OC	772986585	PBXJJSSMXIQRTO-RDPSFJRHSA-N	421.585	5.607	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1coc(-c2ccccc2Cl)n1	776513957	COKFDUSJXKXLKO-KRWDZBQOSA-N	415.836	5.109	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2ncsc2c1	776904471	UZCYXLFXPNCUCO-KKSFZXQISA-N	412.518	5.834	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(F)nc1)C(=O)c1ccccc1	777468206	PMJFDSFFMOQBJS-RCCKNPSSSA-N	402.469	5.251	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc2sc(Nc3ccccc3)nc2s1	781034699	NINDBQXYSVSNFN-ZDUSSCGKSA-N	420.519	5.645	30	20	HKED	
CC[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	781775125	ALXLUKFOXOSVAP-BJJXKVORSA-N	423.365	5.888	30	20	HKED	
O=C1/C(=C\c2scnc2C2CC2)CN(CC2CC2)C/C1=C\c1scnc1C1CC1	782326229	FREVXTQIUIUNDO-ZZDPWUPLSA-N	423.607	5.116	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccc(Br)s2)C2CC2)c1	784042810	NMBZEWHNVHACJT-KXBFYZLASA-N	405.361	5.432	30	20	HKED	
Cc1c(C(=O)/C=C/c2cccc3c2N(C(=O)OC(C)(C)C)CC3)cnn1C(C)(C)C	787187192	RKZCOLJRNSBWIK-VAWYXSNFSA-N	409.530	5.140	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)c1ccncc1	788790047	CIQKXJPUIJBVPE-FQEVSTJZSA-N	414.347	5.083	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1	797569767	WILUYHGHQXAVDZ-MRXNPFEDSA-N	409.580	5.600	30	20	HKED	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	800843715	KKMFXMOZHQPJIA-QHCPKHFHSA-N	410.452	5.228	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C	804463777	YCJBUSCFBOLLML-LJQANCHMSA-N	406.526	5.018	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Cc3nc(Cl)ccc3C2=O)cs1	806580015	YLZSLHQVEUMJNZ-ZROIWOOFSA-N	409.898	5.007	30	20	HKED	
C#C[C@@H](NC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C)c1ccc(F)cc1	812939163	UUQGFWYBGXNXEF-OXQOHEQNSA-N	407.514	5.335	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccccc1F)C(=O)c1ccccc1	818470765	WYYVYRSDRZIQRV-OQKWZONESA-N	401.481	5.856	30	20	HKED	
CCCc1ccc(-c2nc(NC(=O)c3ccccc3SCC#N)sc2C)cc1	912664285	SPAJQXZXUCPAKI-UHFFFAOYSA-N	407.564	5.939	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)N[C@@H](C#N)c3ccc(Br)cc3)ccc2c1	913205700	GMRWASLOWRTHQB-OQCLPQHESA-N	421.294	5.005	30	20	HKED	
COc1cc(C=NOCc2coc(-c3cccc(Cl)c3)n2)cc(Cl)c1OC	914572189	GCBYIGZMZGBVDP-UHFFFAOYSA-N	407.253	5.216	30	20	HKED	
FC(F)SCc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)o1	916546448	RJHYTBDRIWUOMP-UHFFFAOYSA-N	414.890	5.155	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1sc2cc(Cl)ccc2c1Cl	916885501	YIOAWAOELGAHSU-ZDUSSCGKSA-N	423.708	5.823	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	916914869	WUCUXLVILTZYHK-SFHVURJKSA-N	421.478	5.113	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996073	JVSKOKWFMAPMFX-SDQPKGBYSA-N	405.331	6.068	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917042975	JPEKQIWNDJCOTK-UMSKNGNOSA-N	406.816	5.858	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917043047	GFWNOEMJTTWSMF-YGRLFVJLSA-N	417.899	5.215	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C(F)F	917045182	WMYCKBLEBBBHMJ-CYBMUJFWSA-N	422.262	5.937	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCOc3cccc(C)c3)n2)cc1	920109555	HYXNHPCGXOEJFD-NRFANRHFSA-N	404.535	5.853	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(C)ccc3Cl)n2)cc1	920139145	NXTKDEFGKZFXSW-INIZCTEOSA-N	412.898	5.036	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)n1	921252237	FYHMKMUEAVKFIM-AZUAARDMSA-N	412.967	5.804	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1cccs1)[n+]1ccc(Cc2ccccc2)cc1	1322095799	GWQABHZWTHQGJI-UHFFFAOYSA-O	407.584	5.003	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1	1788967531	LIOZJNRSFVMTFR-UHFFFAOYSA-N	414.505	5.292	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3sccc3Cl)CC2)C1	1805456152	AMYUTISYGPJVBH-UHFFFAOYSA-N	421.006	5.015	30	20	HKED	
CC(C)c1ccc([C@H](NCC(=O)Nc2ccc(CC#N)cc2)c2cccs2)cc1	15362371	QDPUBIPOALVVQT-DEOSSOPVSA-N	403.551	5.255	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(C)c2)c1	22730203	LZNPHDXJAVQPRH-UHFFFAOYSA-O	411.497	5.228	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccccc3)n2)nc2sc3c(c2c1=O)CCC3	24286096	ZNZFTKGRMNJFAK-UHFFFAOYSA-N	421.547	5.080	30	20	HKED	
COc1ccccc1C(C)(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	58687172	WMAQALMSOZERST-UHFFFAOYSA-N	414.505	5.257	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(COCC2CC2)c1	65080327	MTGNHTFUAJNDJJ-UHFFFAOYSA-N	414.530	5.888	30	20	HKED	
CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	65680387	QVVGEXWWEAINQP-UHFFFAOYSA-N	414.465	5.133	30	20	HKED	
C=CCOc1cccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1	65749333	NJXRQBOLJORYRK-UHFFFAOYSA-N	403.265	5.774	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1	107646736	ZRHQJXFKOOIUBZ-HXUWFJFHSA-N	406.869	5.265	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)c1ccccc1SCc1cccs1	302812366	FHLQVZZQSAEWEO-UHFFFAOYSA-N	424.616	5.575	30	20	HKED	
CC(C)c1nc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2s1	303365642	RAIWQHDMHRSLQS-UHFFFAOYSA-N	420.538	5.085	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1	303474786	NPSNOQGVVDJBEW-AREMUKBSSA-N	410.517	5.282	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C	410350279	DJCSOEYJKMVKNZ-UHFFFAOYSA-N	408.523	5.507	30	20	HKED	
COc1c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)sc(C)c1Br	430610635	LTFQCEKRKFATCZ-SECBINFHSA-N	413.362	5.072	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3cc[nH]n3)s2)cc1	431480471	BOGPJJNVJUOWSB-UHFFFAOYSA-N	414.490	5.036	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1	433027676	MFVSPRKEMCBOQS-UHFFFAOYSA-N	401.898	5.061	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1	436365037	QTZJWTLPGGOJSF-ROUUACIJSA-N	409.283	5.107	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2	438978432	MISOBJNFHFCAHY-UHFFFAOYSA-N	402.479	5.196	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)C2(Cc3ccccc3Cl)CC2)c1C#N	439140294	YWDFEVPUKDJJSG-UHFFFAOYSA-N	422.941	5.081	30	20	HKED	
Cc1sc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c(C#N)c1C	440430007	CYQWOTLHTMIZFY-UHFFFAOYSA-N	409.492	5.548	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(N2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1	442285191	PKKGREOBGGLXQA-NRFANRHFSA-N	423.523	5.373	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccc(Cl)cc1	442751044	KHFYKMTZPGKLOB-INIZCTEOSA-N	404.684	5.637	30	20	HKED	
C[C@H](S[C@H](C)c1cccc(C#N)c1)c1nc(O)c2c(-c3ccco3)csc2n1	443141652	DWCXDCGKVPRZKR-OLZOCXBDSA-N	407.520	6.084	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	443808778	ZRPYHPBHAKKPJC-UHFFFAOYSA-N	404.797	5.157	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1	444898008	FTPWMUMBOCSBSG-KGLIPLIRSA-N	418.360	5.726	30	20	HKED	
Cc1sc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1-c1ccc(F)cc1	447118946	HVHMDENDCJWQRH-SFHVURJKSA-N	419.506	5.871	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)CC(=O)c1ccccc1F	463138235	BXQMFBPJAWSYJV-QGZVFWFLSA-N	416.452	5.646	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1	464816162	VOFFRHHCQPRASA-RTBURBONSA-N	412.415	5.027	30	20	HKED	
CC#CCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466642237	ARDPQZJYHUNWSS-ZDUSSCGKSA-N	405.361	5.252	30	20	HKED	
CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	467039948	FJWWMZYPMZGPRQ-IFMALSPDSA-N	423.582	5.470	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1	472905786	NQNFTKROJYHGJO-UHFFFAOYSA-N	418.472	5.114	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	475548464	RAKVXZYJPWDHIA-IBGZPJMESA-N	411.615	5.634	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1cccc(CS(C)(=O)=O)c1C	475555050	VCIAIRQBUWXFSQ-UHFFFAOYSA-N	400.544	5.036	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1ccnc(C#N)c1	476114377	VYEIFQDWWFXBHS-UHFFFAOYSA-N	413.456	5.251	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	477482565	LMDWEQSFZNJHGT-SFHVURJKSA-N	403.551	6.345	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	480583021	GGTZWVMSLHFZHE-LIRRHRJNSA-N	403.404	5.545	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(COc4ccccc4)cc3)no2)cc1	481909413	YVMFIAVJXNGDJV-JOCHJYFZSA-N	406.445	5.037	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc(Cl)c1OCCC(C)C	483227454	IFTHEIFQNOUGJZ-INIZCTEOSA-N	423.900	5.207	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nc2ccccc2[nH]1	487867674	CPUGVVGVWYNKOX-GOSISDBHSA-N	414.446	5.112	30	20	HKED	
CCOc1ccccc1CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	487990463	AYUQAJCZWCRCCN-UHFFFAOYSA-N	416.496	5.258	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2c[nH]c3ccccc23)cc1	488010034	PMCYGPTZJKLPFE-UHFFFAOYSA-N	411.480	5.340	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1	488968483	AQLMVEVGFZJJIU-GIGWZHCTSA-N	403.547	5.683	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	489420389	YMYMODVHDUDRDT-ILBGXUMGSA-N	416.569	5.679	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)o2)cc1	489818770	YRNQKTHBQRYJEE-CYBMUJFWSA-N	415.902	5.074	30	20	HKED	
COc1ccc(-c2nc(CSCCOc3cccc(C#N)c3)cs2)c(OC)c1	498130097	ZQNPBWIDVNYEAA-UHFFFAOYSA-N	412.536	5.011	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)sc2ccc(F)cc12	499413077	LRXNSDWEAQNEGD-HNNXBMFYSA-N	403.276	5.106	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21	501567095	MNBUKGUSEUJLTK-HXUWFJFHSA-N	416.953	5.119	30	20	HKED	
CC(C)N(Cc1ccco1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	509590212	CGDINFWQTZXXFH-OAQYLSRUSA-N	407.901	6.031	30	20	HKED	
N#Cc1c(NC(=O)C2(c3ccc(F)cc3)CCOCC2)sc2c1CCCCCC2	512323765	OYGCSQBGGAOUKD-UHFFFAOYSA-N	412.530	5.105	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1	513941912	IAVQFCLMHGQWRS-OAHLLOKOSA-N	407.901	5.544	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccncc1	514840708	GSVGWBPKAQFOFB-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(Sc3ccccc3Cl)cc2)CC1	518579607	ZJVBYSRULRAWSP-UHFFFAOYSA-N	401.963	5.263	30	20	HKED	
C=CCOc1ccc(CNC2(c3ccc(Br)cc3)CCC2)cc1OC	520219537	BWELYHNWHREAAT-UHFFFAOYSA-N	402.332	5.192	30	20	HKED	
C[C@@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccc(C#N)cc1	520712522	KESZYPZOJMVTJU-QGZVFWFLSA-N	404.897	5.211	30	20	HKED	
CC(C)n1ncc2c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc(C3CC3)nc21	521796476	FEBXGAVRPRZDSD-HNNXBMFYSA-N	419.554	5.536	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1	522571748	LGWSFULUGWLQKP-QGZVFWFLSA-N	404.466	5.008	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1	522985892	SBIUEMXLGYOAMZ-NZQKXSOJSA-N	417.578	5.265	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccco3)C3CCCC3)c2)c1	523708112	HUHSWDRORRFFJY-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	524669807	QTMUHELIBRJURX-UHFFFAOYSA-N	418.006	5.011	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc(OC)cc2)CC1	530447304	DZTNNZRHKTUSLE-UHFFFAOYSA-N	408.542	5.622	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)cc1	534569392	FSLPHWJDABUFNK-UHFFFAOYSA-N	417.387	5.085	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C1CC1	534965695	DZQGUQKKMKSWNF-AWEZNQCLSA-N	420.542	5.294	30	20	HKED	
C=C(C)[C@H](CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)OCC	535912588	BUBSLOLUUXCGCI-FQEVSTJZSA-N	407.341	5.289	30	20	HKED	
N#Cc1cccc(CSCc2nc(-c3ccc(Br)s3)no2)c1F	537047004	AJPQFYKYYPVPAU-UHFFFAOYSA-N	410.293	5.005	30	20	HKED	
C[C@H](N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1	537950569	CZKWICOHBNBPLP-SJCJKPOMSA-N	409.345	6.111	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)NCc2cc(C#N)ccc2F)cc1OC	539279661	RQCYVSRABGMKFG-HSZRJFAPSA-N	404.485	5.097	30	20	HKED	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	539649246	IZPDBWHRSNWQRZ-HNNXBMFYSA-N	423.416	5.391	30	20	HKED	
C=CCC[C@H](Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)C1CC1	540835271	GZBSJMCMRZVYEP-JXFKEZNVSA-N	400.954	5.510	30	20	HKED	
COC(=O)c1ccc(-c2nc(CNc3ccccc3S[C@H](C)CC#N)co2)cc1	541077768	XSRZBFVQHGAQTB-OAHLLOKOSA-N	407.495	5.135	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1	542572137	YTVWKWNFJMVASA-ZDUSSCGKSA-N	411.914	5.302	30	20	HKED	
C[C@H](NC(=O)N1CCC(Cc2cccnc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543018557	UPCXEXXGDUPSGE-FQEVSTJZSA-N	424.548	5.346	30	20	HKED	
N#C[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1cccc(Cl)c1Cl	543432020	DMDWZCCCSCXABY-OAHLLOKOSA-N	420.296	5.180	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	543594181	FZIGERKSWRVJNM-XFQXTVEOSA-N	413.518	5.119	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CC1	543828314	YRGIBNBWUSEYHH-UHFFFAOYSA-N	422.382	5.189	30	20	HKED	
N#CCC1CCN(C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CC1	543842756	KZSCECLBGOTCGW-FQEVSTJZSA-N	403.309	5.266	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	550239668	VGSJSYWVZQIWFQ-CQSZACIVSA-N	415.440	5.437	30	20	HKED	
Cc1cc(-c2noc([C@@H](C)NCc3ccc(-c4ccccc4C#N)cc3)n2)ccc1F	552979213	UQYFWXJSCIQBOA-QGZVFWFLSA-N	412.468	5.574	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2cccc(C(C)C)c2)o1)c1nc(C(=O)OCC)cs1	553936070	TWXXBGCSCJQPHU-UHFFFAOYSA-N	424.522	5.536	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cccc1-c1ccccn1	555444340	NCMZINVSKIKZCC-NRFANRHFSA-N	420.497	5.542	30	20	HKED	
Cc1cccc2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)sc12	566978579	QKRRKTXATXPKGQ-UHFFFAOYSA-N	403.507	5.045	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[C@@H]1[C@@H]1CCCO1	568690559	FGLUUFLNOXFDPH-LEWJYISDSA-N	410.901	5.034	30	20	HKED	
N#Cc1cc(Br)ccc1CSCc1csc(-c2ccccn2)n1	576545765	YBCDXXYFVNXFDC-UHFFFAOYSA-N	402.342	5.273	30	20	HKED	
CCO[C@@H](c1noc(CSCC(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F	579526378	SNXGDQAMDHILBV-GFCCVEGCSA-N	418.334	5.149	30	20	HKED	
COC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(F)c1	580238976	GIKNBIPFDGRAQA-UHFFFAOYSA-N	424.815	5.182	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccccc1	602099164	QQTLHMUTVRJOTD-JTSKRJEESA-N	416.908	5.843	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cn2)c1	603622128	LGWKTJYEBZJFBM-UHFFFAOYSA-N	405.457	5.516	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3cccc(Cl)c3)c2)c1	603995903	QMPBFWMEQRAOMW-UHFFFAOYSA-N	403.869	5.035	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1cccc(Cl)c1	604009550	PICHIBIHLLDXCH-QHCPKHFHSA-N	421.953	5.273	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ncccc3OCCCC#N)s2)c(C)c1	608882499	OUTDHGJDECXJPG-UHFFFAOYSA-N	406.511	5.065	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@H](c3ccccc3)c3ccncc3)c2)cc1	609988145	NLSUBHNVNGGQJI-RUZDIDTESA-N	404.473	5.216	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1	610321182	KIGOKLFFXSGPSG-KSFYIVLOSA-N	416.456	5.500	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cccc(C#N)c1	610322670	YNDNQJFNHYCJDA-OAHLLOKOSA-N	424.932	5.157	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccccc1Br	610676683	WOSXQVSHROTRAZ-KRWDZBQOSA-N	415.335	5.246	30	20	HKED	
Cc1cc(C)cc(-c2nnc(SCc3ccc(C#N)cc3Br)o2)c1	611491664	VDQYEUSKSIPKMN-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
N#CCn1c(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc2ccccc21	619522357	VPFDWZGKHTXIGE-UHFFFAOYSA-N	422.204	5.198	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)NCc3ccc(C#N)c(Cl)c3)cc2)cs1	619754169	LCUGKWSVBINOFP-ZDUSSCGKSA-N	410.930	5.204	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1	670194765	XUCJRHFACJREKF-SFHVURJKSA-N	417.513	5.256	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c3ccccc3n2)o1	682995593	YWZOTYLPCFHWDF-GOSISDBHSA-N	404.429	5.237	30	20	HKED	
N#Cc1ccc(NC(=S)NCc2cccc(COCc3ccccc3)c2)cc1Cl	726460550	JHEZDVDEJJJADL-UHFFFAOYSA-N	421.953	5.415	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cc1	728700728	UXUVSKUAKDLXQX-VKZJTJHYSA-N	410.498	6.011	30	20	HKED	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)s2)CS(=O)(=O)c2ccccc21	730575323	PAUGCJDQEWYOLO-KAMYIIQDSA-N	400.908	5.122	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)c1ccccc1	730685042	GPZOWPCFEMQDFT-NBGIEHNGSA-N	409.489	5.132	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1	731539890	IFGJZBDRPVWOTP-DEOSSOPVSA-N	423.472	5.359	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSC[C@H]1OCCc2ccccc21	734510634	CXUVDCHWAGTVEK-OXQOHEQNSA-N	412.580	5.067	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C)c1ccncc1	734680128	QYJJPFDIUHYUGZ-JOCHJYFZSA-N	423.557	6.187	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2nc(C)cs2)c1	740529440	OCZRDLUBEUSSEG-FQEVSTJZSA-N	417.534	5.205	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)COc2cccc(C#N)c2)nc1-c1ccccc1	740727478	QJBCNWLJURFZGA-NRFANRHFSA-N	415.493	5.079	30	20	HKED	
O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	741447253	KBOFZEQZAOKUDM-JYRVWZFOSA-N	408.441	5.318	30	20	HKED	
COc1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cc1	741454893	HINSOKGDWBGIEI-UHFFFAOYSA-N	420.925	5.445	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1C(F)(F)F	741924055	BMWKVKHNCOHSEL-BUYIWHAFSA-N	404.457	6.142	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)COC2	742436984	PHRXXLIFDVUUGS-FLIBITNWSA-N	403.865	5.519	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1C(F)(F)F	744118928	NVLXSFPXJXXHJD-RISCZKNCSA-N	406.404	5.824	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1)c1ccncc1	745826464	ARBSDUXKERLOTM-NTKDMRAZSA-N	415.537	5.777	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1cnn(C(C)C)c1	746680227	ZYPKHLJGIKMSTG-UHFFFAOYSA-N	424.570	5.256	30	20	HKED	
CCOCc1cc(/C=C2\CCOc3cc(Br)ccc3C2=O)ccc1OC	747613018	OVDQBROYHJSPPJ-XNTDXEJSSA-N	417.299	5.043	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	752166538	XLWIQAIDCKKBDI-GJZGRUSLSA-N	421.369	5.820	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CCC(F)(F)F)cc2)cc1	752476929	GNTRMCPFTBMPBG-HXUWFJFHSA-N	416.443	5.485	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=S)Nc2c(Cl)ccc(C)c2Cl)cc1C#N	752765481	OISUNTUOHOSVLL-UHFFFAOYSA-N	423.325	5.551	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCc1c(C)noc1C	753880522	HNPUJQUMRAXJBI-UHFFFAOYSA-N	404.470	5.018	30	20	HKED	
N#Cc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(Cl)c1	757393088	UTXWVJYCWJDDIV-OAHLLOKOSA-N	409.923	5.304	30	20	HKED	
N#CCc1ccnc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c1	763915278	VDSSHQPHRVNSGT-UHFFFAOYSA-N	406.692	5.031	30	20	HKED	
C[C@@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1nc2cc(C(F)(F)F)ccc2n1C	764533213	KJJJQZMZYNVZJQ-SSDOTTSWSA-N	420.284	5.067	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl	766840017	GESNZOKVBXQHGH-STRFDMGBSA-N	407.684	5.398	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(F)ccc2Br)cc1	771250001	KHFJUDDJLCXPAQ-HXUWFJFHSA-N	423.285	5.425	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)ccc1OC	774447256	GBVSTBOSLCURHC-SIKLNZKXSA-N	418.459	5.636	30	20	HKED	
C[C@@H](N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(OCC#N)cc1	779093940	SQTDYESQUUZPLQ-ZHRRBRCNSA-N	407.514	5.274	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1O[C@H](C)C#N	780671117	PANUSIQZHKDJKA-OAHLLOKOSA-N	405.420	5.439	30	20	HKED	
CC(=O)Nc1ccc(NC(=S)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	782206840	XVOUVGKQYQRXJG-INIZCTEOSA-N	414.534	5.231	30	20	HKED	
CSCc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	782708191	GMYWUXQCELJDEL-QHCPKHFHSA-N	401.535	5.527	30	20	HKED	
Cc1cc(CSc2nnc(CSc3nc4ccccc4s3)n2C)ccc1C#N	783063083	NPNYRMBGQQQWIN-UHFFFAOYSA-N	423.592	5.190	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Cl)cc4c3OCC4)n2)cc1	784493189	SKDJVGVERRXBJE-SFHVURJKSA-N	408.910	5.126	30	20	HKED	
O=C(O[C@@H]([C@@H]1CCCOC1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	789643609	CINQGIZIEJJLKT-PELKAZGASA-N	424.259	5.239	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	790624400	ZKURBPJZHRQEDW-KSFYIVLOSA-N	418.459	5.254	30	20	HKED	
Cc1ccccc1[C@@H](C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)CC(C)C	792923811	CUFUSVFPXDRGDJ-KNQAVFIVSA-N	412.537	5.251	30	20	HKED	
CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(N)cc1Cl	794979716	QCCLBCNVKMYVLW-UHFFFAOYSA-N	405.811	5.234	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCC[C@@H](c4cccnc4)C3)nn2)c1	794982085	SDIZZUWQTGBOTA-OAHLLOKOSA-N	411.431	5.683	30	20	HKED	
C#CC[C@H](Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	795331243	GJLFDYIASTWMII-RHSMWYFYSA-N	400.309	5.329	30	20	HKED	
N#Cc1cc(Br)ccc1CSc1nn(-c2ccccc2)c(=S)s1	804898505	IUSKCEBJDKETDI-UHFFFAOYSA-N	420.382	5.590	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	806217216	HDYJLMVGRDIXGP-CYBMUJFWSA-N	400.375	5.424	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3Cl)s2)ccc1OCC#N	915113420	OXTCKEJHUALCAI-VURMDHGXSA-N	409.894	5.876	30	20	HKED	
CCCCn1nc(C)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Cl	916285791	ICTWQBLLTFSKQK-UHFFFAOYSA-N	403.792	5.018	30	20	HKED	
CC(=O)Nc1cccc(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)c1	916312274	QSOIEWKVZMLQAE-UHFFFAOYSA-N	401.495	5.153	30	20	HKED	
C(=NNc1ncnc2sccc12)c1cn(-c2ccccc2)nc1-c1cccs1	916367918	CGTCYZHFSKOFGY-UHFFFAOYSA-N	402.508	5.052	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)CCC(=O)N2	916591906	ULZWHUOXNOXMMB-SBUREZEXSA-N	424.504	5.109	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2cccc(Cl)c2)n1	916912597	RNTLZFSHADTDOY-CYBMUJFWSA-N	416.289	5.078	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917042387	BCFQSKHURDZZGU-HNNXBMFYSA-N	407.882	5.332	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2o1	917510067	KVPOPJMOZUQTJN-SLWQEBJJSA-N	404.878	6.099	30	20	HKED	
CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920141467	OILZOOPZWAYUHI-JXFKEZNVSA-N	415.518	5.451	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1	1824145214	WBAPFZYMKGFDBG-JYFHCDHNSA-N	412.618	5.121	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1	20067104	GHGYIMGAOATMFE-UHFFFAOYSA-N	411.552	5.362	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)c2)c1	32291923	SLRIUTRFHFKLGP-UHFFFAOYSA-N	418.880	5.392	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1	41500591	BPSYXAWRUMKTBS-LLVKDONJSA-N	411.845	5.542	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1	49621047	SPYXFORMKCMYBE-UHFFFAOYSA-N	405.548	5.117	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1	56465702	QRMMLIGCKRNFGZ-UHFFFAOYSA-N	419.550	5.207	30	20	HKED	
COc1ccccc1OCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	56469685	OOYMYFKMGHHLSZ-UHFFFAOYSA-N	402.450	5.075	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(CCC#N)Cc3ccco3)cc12	60625938	HSLSFBZCEZBYTD-UHFFFAOYSA-N	424.913	5.198	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cnc(-c4ccccc4Cl)s3)n2)cc1	64868252	NAKICPKCBDLHSZ-UHFFFAOYSA-N	422.922	5.711	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1	65869915	KXSBPTIWVROMBZ-UHFFFAOYSA-N	414.958	5.026	30	20	HKED	
C=CCn1c(SCc2cc([N+](=O)[O-])ccc2OC(C)C)nnc1-c1ccoc1C	78443225	GDVYSVJDWMTFLD-UHFFFAOYSA-N	414.487	5.020	30	20	HKED	
CC(C)[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1	97337253	KLBKKFXLSAGBQQ-VWLOTQADSA-N	410.521	5.500	30	20	HKED	
CC(C)Sc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	108377747	OCXHUSZABVPVLF-UHFFFAOYSA-N	416.546	6.084	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1OC	210973831	DIVKOSYIVRLDIW-NJBZPOFQSA-N	420.534	5.247	30	20	HKED	
Cc1cc([C@@H]2CCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1Br	430226120	LXTSCJYMSJJDEY-IBGZPJMESA-N	423.314	5.016	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)sc2C)cc1	430637590	CRSCHSZXCUJPKZ-QGZVFWFLSA-N	410.564	5.976	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cccc(C#N)c3C)c2)cc1	431828295	OIPJFXCSJHTXFU-UHFFFAOYSA-N	412.489	5.220	30	20	HKED	
N#CCCn1cc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)c(-c2ccncc2)n1	433321019	WISNKIRGUBWADW-UHFFFAOYSA-N	410.481	5.003	30	20	HKED	
Cc1csc([C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)n1	438027674	ASMXJPBHPINOPF-FQEVSTJZSA-N	404.495	5.388	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	438045026	QFWLJJIJDBBOAZ-UWJYYQICSA-N	413.562	5.808	30	20	HKED	
C=CCc1cc(C)cc(OC)c1OCC(=O)Nc1ccccc1S[C@H](C)CC#N	438318588	LPCCURYQVJWTEQ-QGZVFWFLSA-N	410.539	5.144	30	20	HKED	
CSc1nc(O)c(C(=O)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)cc1C#N	439731879	ZYYWYBOGLBKFAB-NRFANRHFSA-N	423.582	5.556	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)cc1Cl	439898589	JGQOUUIJAJAGKP-FQEVSTJZSA-N	410.901	5.035	30	20	HKED	
N#CC1CCC(CNC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CC1	441010912	PAFBXMYRWZQFRH-UHFFFAOYSA-N	424.372	5.014	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CCCC1(C)C	445239481	RVANUGWOQXFRCF-IBGZPJMESA-N	415.921	5.784	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCc2ccccc2C1	460954305	XMQNUCHQDMEMLN-ZEQRLZLVSA-N	414.553	5.052	30	20	HKED	
C[C@H](C(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C)c1cccc(C#N)c1	462177054	QSMJWRRCKGQLGM-NQCMUKECSA-N	415.356	5.024	30	20	HKED	
N#CCSc1cccc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)c1	463175506	BKVAQOJLWDIPDE-UHFFFAOYSA-N	416.491	5.019	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1OCC	465412908	ZMWZVXARDCXJNK-VLCRHTCISA-N	421.541	5.026	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C	468018220	YISFQKDBHMKALT-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F	468535049	FPQCFGZDWXUPQJ-NWDGAFQWSA-N	407.276	5.152	30	20	HKED	
Fc1cccc(F)c1-c1nc(CSCCOCC(F)(F)C(F)(F)F)co1	468640794	XACCKYAWZUYWJD-UHFFFAOYSA-N	403.319	5.067	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C2)cc1	470565819	NHUWRMXRDFBIPC-NQIIRXRSSA-N	400.478	5.057	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1	474452224	ZAJIBJUHIGNYFN-KRWDZBQOSA-N	405.454	5.560	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1cccc(COCc2ccco2)c1	475548872	KNPMZLKBVILQIC-UHFFFAOYSA-N	404.510	6.492	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2	475561077	XJHKCFOBFXMAOE-OAQYLSRUSA-N	406.526	5.679	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCc1ccccc1)Cc1ccncc1	475584130	XVXJEUPIWHBMBF-UHFFFAOYSA-N	413.565	6.210	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ncc(C(F)(F)F)s1	475852156	QTJUJWBSHGOPRZ-UHFFFAOYSA-N	405.426	5.437	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(c2ccccc2Br)CC1)c1ccccc1	476923845	VIPQKZTVJITGKM-LJQANCHMSA-N	411.343	5.243	30	20	HKED	
N#CCCn1cc(-c2csc(Cc3nccn3Cc3ccccc3)n2)c2ccccc21	476951251	LVCQTKFTQZVOSR-UHFFFAOYSA-N	423.545	5.514	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	477420091	CXRAIJGBYKFKDN-PELKAZGASA-N	407.276	5.527	30	20	HKED	
COC(=O)c1cc(F)cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1F	478089141	REIIRCXIIVHYBQ-UHFFFAOYSA-N	424.428	5.027	30	20	HKED	
Cc1c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)sc2ccc(C#N)cc12	478319600	XGYNROSRCLRIKG-GOSISDBHSA-N	402.479	5.062	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	478367607	GZHNONJZCKFCFW-OAHLLOKOSA-N	400.400	5.206	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1cccs1	481376584	RMUZJXZHNLBQHO-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](Oc2ccccc2OC)C1	482080927	ISVNZFSCCRKOLT-HXUWFJFHSA-N	408.542	5.622	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)cnn1-c1ccccc1Cl	482552034	DWSBAMAOKWFEDV-AWEZNQCLSA-N	404.857	5.280	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)cc2ccccc12)c1nccc2ccccc12	483206897	YEIMGMIUJSXJOD-FQEVSTJZSA-N	401.263	5.641	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c4ccccc34)n2)cc1	483516826	YLANPMSTCDYORC-LJQANCHMSA-N	402.450	5.601	30	20	HKED	
C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CCC(=O)Nc2sccc2C#N)C1	483666079	WRUQDRBNNMVTLA-SUMWQHHRSA-N	407.461	5.050	30	20	HKED	
CCN(C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C)c1ccncc1	487527137	CEVSZOFBLNEGLB-UHFFFAOYSA-N	420.538	5.087	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccc(C)cc3)n2Cc2ccco2)cc1	489446277	HZUQDXYKIGJLEY-JOCHJYFZSA-N	414.534	5.430	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]cc1-c1ccccc1F	494322777	LXLCOCFRAQCKHY-UHFFFAOYSA-N	412.424	5.441	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1	495047307	OJVDRCXWEAFWHI-MCQINXDTSA-N	408.517	5.145	30	20	HKED	
CCN(CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)[C@H](C)c1ccc(C#N)cc1	497617956	JZWJQQGMIDRBNE-MZNJEOGPSA-N	421.541	5.048	30	20	HKED	
Cc1ccc(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1C	497687525	UTSFEQCJFIQXQY-UHFFFAOYSA-N	407.539	5.356	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)NCC(C)(C)CCC#N)nc1-c1ccc(Cl)cc1	499186494	FBOHFKBVCYYXRM-CYBMUJFWSA-N	404.967	5.462	30	20	HKED	
Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	501567395	DBLJQFBHFXVNDB-MRXNPFEDSA-N	419.506	5.262	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1	502660998	OFRNVUDJTPHBLG-QGZVFWFLSA-N	410.331	5.059	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2ccccc2)cnc1C(F)(F)F	504950375	UEPYFIFHWZJQIZ-UHFFFAOYSA-N	401.775	5.545	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC(n2c(CC)nc3ccccc32)CC1	505016757	LRFZBLZRTDSWQN-UHFFFAOYSA-N	402.542	5.586	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	505052796	YFGPNXAWGFMKHM-LJQANCHMSA-N	401.510	5.662	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	505772996	WYBGHBRXGDGCOX-ZDUSSCGKSA-N	406.269	5.502	30	20	HKED	
C=CCn1c(-c2ncccc2C)nnc1N1CCC(c2c(C)[nH]c3ccccc23)CC1	508932811	VQCKCQUQPFXCTM-UHFFFAOYSA-N	412.541	5.008	30	20	HKED	
CCN(C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)[C@@H](C)c1ccc(C#N)cc1	509558650	JVSLUNGWVXXJDV-INIZCTEOSA-N	406.917	5.238	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4cc(F)ccc4C3)c2)cc1	509704190	KQYMPMLLPMKYJG-UHFFFAOYSA-N	415.468	5.061	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1	510152685	XCZWVBPIVACTRC-MRXNPFEDSA-N	419.487	5.732	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c2ccccc21	513532046	KFTFQYDMOHKCLE-IBGZPJMESA-N	403.448	5.140	30	20	HKED	
C[C@H]1CCCC[C@@H]1OCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	514118077	FAWJKSAVQDBBSJ-CYFREDJKSA-N	423.532	5.004	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2n1	518127193	RUCFKWNOKGVFFY-AWEZNQCLSA-N	408.552	5.063	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1	518151915	ZURARETVJFKSPB-MRXNPFEDSA-N	402.523	5.254	30	20	HKED	
C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1OC(F)F	518268853	YDEFAFIWKVVXMP-QGZVFWFLSA-N	408.448	5.589	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	518915572	HLIZFRMWGWXTJN-DEOSSOPVSA-N	412.489	5.531	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCCc1nc2ccccc2s1	519423873	IGIXFUNWVIYITQ-MRXNPFEDSA-N	409.580	5.900	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cc(F)ccc1F	520666908	UBUHXFXTUYEJCT-NRFANRHFSA-N	408.408	5.297	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(CC)o2)nc2sc(-c3ccccc3)cc2c1=O	521957954	HOLOTBNCSHGKKL-ZDUSSCGKSA-N	424.551	5.110	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2	523548354	DDJDOPGXPUHKPP-UHFFFAOYSA-N	424.444	5.134	30	20	HKED	
Cn1c([C@H]2CCCN2C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)nc2ccccc21	524112299	UCPSXDLXNNFULE-XMMPIXPASA-N	421.504	5.166	30	20	HKED	
C=CCN1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1	525054438	RVUAUHNPXNLWHX-UHFFFAOYSA-N	405.325	5.166	30	20	HKED	
N#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1	525336153	PEQTYPVGOYSXSN-UHFFFAOYSA-N	404.335	5.484	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2Cl)nc1	531442131	NNXAUUTWDFGZCB-FPOVZHCZSA-N	417.896	5.439	30	20	HKED	
C=C[C@H](CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1	533921890	XWBRVVQAVXFMGX-GOSISDBHSA-N	417.471	5.230	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2sc(C(C)C)nc2C)c1C	535215945	JFTDMYQVNJRUGE-IBGZPJMESA-N	412.603	5.131	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C	538679113	CYKWDUTYFQWUSR-QGZVFWFLSA-N	402.498	5.060	30	20	HKED	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(C#N)c1	538684584	IAVYTVAZYQFYAF-UHFFFAOYSA-N	424.715	5.009	30	20	HKED	
C[C@@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccc(-c2cccc(C#N)c2)cc1	541998515	SSJLVOMERRJQCC-QVKFZJNVSA-N	403.507	5.024	30	20	HKED	
C[C@H](N[C@@H](C)c1nc(-c2ccccc2)cs1)C(=O)Nc1ccc(C#N)c(Cl)c1	544486592	LQOSPPQXNJDNRO-KBPBESRZSA-N	410.930	5.013	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1	546709007	MYROTWOIMUUTQC-YJYMSZOUSA-N	403.404	5.201	30	20	HKED	
C[C@@](C#N)(NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C1CCCCC1	550351280	JVFCEWSWNSQKCA-FQEVSTJZSA-N	421.488	5.350	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)cnc1C(F)(F)F	556489928	UHFDGLLIRLCQIZ-UHFFFAOYSA-N	421.300	5.309	30	20	HKED	
C[C@H](NC(=O)N1CCC(C2CCOCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	557487022	PLPZLCLTKHHTKE-IBGZPJMESA-N	417.553	5.134	30	20	HKED	
C=C[C@@](C)(CCOC)c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1	564685586	HWPPYBWFTUXKAT-FQEVSTJZSA-N	419.403	5.423	30	20	HKED	
C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(Oc2cccnc2)cc1	568077890	VFSPNMIQOGBAFO-IBGZPJMESA-N	424.504	5.623	30	20	HKED	
C=CCC(CC=C)c1nc(C2(c3ccc(Br)cc3)CCOCC2)no1	574943404	SGFFRMNTAOTEMN-UHFFFAOYSA-N	403.320	5.164	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccnc2C(F)(F)F)c1	578098213	KUJXXAYGPJCKLQ-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	579410819	ZLMWRFWAZCLIKR-GOSISDBHSA-N	417.538	5.091	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3(F)F)C2)cc1Cl	584380222	QWACCECJHBAWJT-QGZVFWFLSA-N	401.844	5.258	30	20	HKED	
C[C@](Cc1cccc(Br)c1)(NCc1nc(C#N)cs1)c1ccccc1	584558768	IRBZPZZHOQRWLC-HXUWFJFHSA-N	412.356	5.025	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(CNCc3ccc(C#N)cc3C(F)(F)F)c2)cc1	584748451	GDHCSVHQPQPMJT-UHFFFAOYSA-N	423.438	5.428	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N(C)Cc2cccc(C#N)c2)cs1	589288755	JCFLSRLCBXQIKD-UHFFFAOYSA-N	407.514	5.066	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(C(C)C)cc2)nnc1-c1ccccc1OC	607758282	RZWOOZVICCGSHS-QGZVFWFLSA-N	421.566	5.627	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	608553041	MGWJQOVPNGYIQU-HNNXBMFYSA-N	410.861	5.073	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C(F)(F)F)c1	609212791	XJEJKXBPNSNRGH-UHFFFAOYSA-N	419.447	5.807	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)c1	609427241	YOTZJWUOUHLSHK-UHFFFAOYSA-N	424.460	5.362	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccco3)c3ccccn3)cc2)cc1	609500338	CLEVTXIXNHSFOC-UHFFFAOYSA-N	409.445	5.380	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCCCN1CCCCC1	609507424	VTNXYOZMGJSLLP-UHFFFAOYSA-N	407.583	5.095	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)cc2)cc1	609532289	DKKNASGZQQXTPD-UHFFFAOYSA-N	416.868	5.005	30	20	HKED	
Cc1noc(-c2ccc(C)c(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)n1	609627780	YCKJGHWBZUFLQJ-UHFFFAOYSA-N	424.460	5.056	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H](C)c1cccc(C#N)c1	610359400	INSBRRKJTSOQCV-LJQANCHMSA-N	406.489	5.210	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(F)cc1	619083137	JNWBNLHZPAQPTH-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
N#Cc1ccc(CSc2nnc(NCc3c(Cl)ccc4cccnc34)s2)cc1	619205955	QZYFWMSSGWKHFO-UHFFFAOYSA-N	423.954	5.516	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)N1CC(CC(F)(F)F)C1	675369591	CFANCNTUIWLHAZ-UHFFFAOYSA-N	424.263	5.063	30	20	HKED	
O=C(Nc1cc(C(F)F)ccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	676134917	GEPGLDDXMXVZHC-RKDXNWHRSA-N	424.719	5.872	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1	726742669	VFBLFNGYFZWCCC-XIEYBQDHSA-N	422.484	5.405	30	20	HKED	
CCOc1ccc(OCC)c(NC(=S)N(Cc2ccc(C#N)cc2)CC(C)C)c1	726905174	NAVZDNOLQJLVEY-UHFFFAOYSA-N	411.571	5.211	30	20	HKED	
COc1cc(OC)c(OC)cc1/C=C\C(=O)c1sc(-c2ccc(F)cc2)nc1C	727267777	QGYVDDCJTXEFTP-YFHOEESVSA-N	413.470	5.180	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(-c3ccccc3OC)on2)c1	728181892	IKJOZTJFSUIVKQ-UHFFFAOYSA-N	414.486	5.240	30	20	HKED	
Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	728440698	RUEURHCFHKCQHT-NSCUHMNNSA-N	417.136	5.661	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1	728697324	NVMWQKVEOODDLM-NHEDYWLLSA-N	423.266	5.157	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1	728766989	RFCKRSFGURYWLI-RYGJVYDSSA-N	416.443	5.584	30	20	HKED	
C#Cc1ccc(C(=O)N(CC=C)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cn1	728803913	HBEDJHHCYUHGLG-UHFFFAOYSA-N	414.317	5.326	30	20	HKED	
C#Cc1cccc(NC(=O)N(Cc2cc(Br)ccc2OCC)C2CC2)c1	729033875	VFUOUZMCSFJYOC-UHFFFAOYSA-N	413.315	5.026	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(C(F)(F)F)cc1	730419860	DQLZMYRGGXQIEB-ABAIWWIYSA-N	406.404	5.824	30	20	HKED	
CCN(C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)[C@H](C)c1ccc(C#N)cc1	730470743	FDKCOUSNWZGYHS-OAHLLOKOSA-N	411.477	5.268	30	20	HKED	
CC(C)(C)n1cc(C=Nn2cnnc2-c2ccccc2)c(-c2ccccc2Cl)n1	731152295	ZGTMEKPAEVBNDE-UHFFFAOYSA-N	404.905	5.099	30	20	HKED	
FC(F)(F)CC(=NNc1nncc2ccccc12)c1ccc(Br)cc1	731923577	SUUCPEPRGXVKEY-UHFFFAOYSA-N	409.209	5.161	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(C)C)cc2C(C)C)ccc1OC	733619702	DLQZUMHROZRIJU-HXUWFJFHSA-N	423.557	5.945	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)CSCc1cc(Cl)ccc1OCC#N	735318736	PNDIIUDJMXXVBZ-UHFFFAOYSA-N	402.947	5.546	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C\c3ccnc4ccccc34)cc2)c1	735439475	KTCBUDFEVCPFKM-JYRVWZFOSA-N	405.457	5.337	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3C2)n(-c2cccc(F)c2)c1C	735793711	JNJGZIYDYHSNEW-UHFFFAOYSA-N	418.497	5.063	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1c(Cl)nc2ccccn12	737446500	UNNSTQVOPOEXRH-KTKRTIGZSA-N	415.255	5.170	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	739155769	VNGATYIDBNDYPY-MGPUTAFESA-N	424.422	5.700	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1	743147539	TYHFWLGRWMGCQG-SFHVURJKSA-N	423.582	6.153	30	20	HKED	
Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1	743152232	OSYGRAORBNHDKL-RTBURBONSA-N	408.571	5.037	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2C)ccc1OC	746727417	BSKABIRDGGRUJU-INIZCTEOSA-N	421.419	5.025	30	20	HKED	
Cc1ccc(Cn2nc(C)c(CCC(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c2C)cc1	747193370	IUZWSAUDNWLNPJ-OAQYLSRUSA-N	420.582	5.246	30	20	HKED	
COc1cc(C2(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)CCC2)ccc1C	750396559	AOCOODVAIZPENA-INIZCTEOSA-N	409.436	5.047	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)n1	750677665	HDQOZHKFWHCODR-RDJZCZTQSA-N	405.361	5.295	30	20	HKED	
C#CCCCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	759085582	DQPRTAYCAZPNKR-ZDUSSCGKSA-N	405.260	5.247	30	20	HKED	
COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(OCC#N)c2)cc1	760348113	NZJJZXYJKWTQND-UHFFFAOYSA-N	422.868	5.224	30	20	HKED	
N#CCOc1cccc(CC(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)c1	760457640	YSYHGHLQZIHQSN-UHFFFAOYSA-N	420.578	5.191	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)s2)cc1	761559207	RULWYWOKAAXPOZ-UHFFFAOYSA-N	422.724	5.818	30	20	HKED	
COc1cccc(/C=C\C(=O)c2cc(Br)ccc2F)c1OC(F)F	763123032	XYGDWKRZHATHSC-YVMONPNESA-N	401.178	5.094	30	20	HKED	
Cc1nc([C@@H](C)ON=Cc2ccccc2OC(F)F)oc1-c1ccc(Cl)cc1	763169465	VCLDBOWJSQGLID-CYBMUJFWSA-N	406.816	6.017	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc2cc(Cl)ccc2s1	763274884	YKWSQGHMCSJWDV-ZDUSSCGKSA-N	410.804	5.267	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1C	765359399	WORDOVASTHEAQD-KRWDZBQOSA-N	417.538	5.651	30	20	HKED	
N#C[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl	772658694	KASGFCTXBKLFBT-CABCVRRESA-N	418.107	5.105	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	780169079	LDYLPMVEYHFCFH-IVZQSRNASA-N	424.859	5.529	30	20	HKED	
C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=S)Nc1ccc(C#N)c(Cl)c1	780209866	MRQIVTGSXXWKME-SGTLLEGYSA-N	406.338	5.024	30	20	HKED	
CCCCCCCCCC(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1	780564767	GKFSAZOCSIWVDK-LJQANCHMSA-N	401.555	5.055	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN(C)C[C@H](C)c2nccs2)c1=S	784043333	JAIBVBZXFIHBOF-AWEZNQCLSA-N	420.007	5.070	30	20	HKED	
N#C[C@H](C(=O)Cc1cc(F)ccc1Br)c1nc2cc(Cl)ccc2s1	789800015	DNOJEKUIIGWONM-GFCCVEGCSA-N	423.694	5.270	30	20	HKED	
COc1cc(F)c(C(=O)/C=C/c2cc(Br)c(Cl)s2)cc1OC	790222800	WGKVQEOQBUQGOW-ONEGZZNKSA-N	405.672	5.216	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(C(F)(F)F)cc1	798817375	YFWVMYYSZITUMO-FZMZJTMJSA-N	407.342	5.430	30	20	HKED	
C/C(=C\c1ccccc1C(F)(F)F)CNc1ccc(N2CCC(O)CC2)c(C#N)c1	800243732	YBYBUMVCGGIUHC-FOWTUZBSSA-N	415.459	5.054	30	20	HKED	
C#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1F	804421779	SSLOTXNUYHOEMI-SFHVURJKSA-N	417.267	5.211	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccnc2)CCCC1)c1nc(-c2c(F)cccc2F)cs1	808981196	FLEKVFGSBSVCHU-OAHLLOKOSA-N	409.461	5.172	30	20	HKED	
CCc1cc(NN=C(C)c2sc(-c3ccccc3)nc2C)nc(-c2ccccn2)n1	814841478	DNWSHXVJTYWIDS-UHFFFAOYSA-N	414.538	5.369	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915086305	IYUWSPCCSONBQL-FQEVSTJZSA-N	403.463	5.224	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)S1	915849003	KDLQEOBTHSEJHX-UNOMPAQXSA-N	408.910	6.108	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccncc2)ccc1OCc1cccc(C(F)(F)F)c1	916136466	ONAFRMMSVAHLIA-ALCCZGGFSA-N	413.395	5.584	30	20	HKED	
N#CCOc1cccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c1	916410702	IGJRDROAKMTCTO-ICFOKQHNSA-N	421.456	5.469	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916887496	MZQOHQVUZJMOSO-QGZVFWFLSA-N	420.506	5.463	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995712	GJTVZPKPMXTJOC-CTEOGUNLSA-N	424.312	5.878	30	20	HKED	
N#CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)c1	920408097	RCWVSFBQUCGVQS-OAQYLSRUSA-N	423.394	5.379	30	20	HKED	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1	1635553482	UJRUYJAUPILSHI-UHFFFAOYSA-N	418.522	5.063	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(C)c1	22093386	JVKCOGXORRCSME-HNNXBMFYSA-N	412.946	5.212	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	45036725	ARZHLWCDDBHMMY-IRXDYDNUSA-N	403.404	5.361	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COC2CCCCC2)c1	63394701	RSIXGQWRQOMBIH-UHFFFAOYSA-N	423.513	5.664	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccccc1	65279288	HTAXQWDBFMQQIO-UHFFFAOYSA-N	404.495	5.087	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1[C@@H](C)c1ccccc1	303291029	AWACZBDMTSHAOI-HKUYNNGSSA-N	417.578	6.218	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1CCC(C)C	427287893	MYMMOPPJKTUJTB-UHFFFAOYSA-N	417.513	5.111	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(F)(F)F)c3)n2)cc1	431169579	MHFKBXDLILSSCO-QGZVFWFLSA-N	416.424	5.550	30	20	HKED	
CCCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1ccc(C)cc1	433113177	BNTDONBXIGYPTG-NRFANRHFSA-N	401.514	5.300	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C	435130995	AFXKAHMWKOCNCT-JLGINSKQSA-N	403.526	5.631	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)SCc2ccc(C#N)cc2OC(F)F)cc1	439540331	HBMFLEUGVLOOIP-LBPRGKRZSA-N	408.495	5.142	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1	441100429	YXALTFXFRZUNBZ-ZIAGYGMSSA-N	423.460	5.862	30	20	HKED	
Cc1cc(-c2csc(NC(=O)c3cn(CCCC#N)c4ccccc34)n2)c(C)o1	444178982	DHWMJXPVKCTGNA-UHFFFAOYSA-N	404.495	5.531	30	20	HKED	
N#Cc1cc(F)c(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c(F)c1	445808809	CKHUBEBATQSVCQ-FQEVSTJZSA-N	400.787	5.148	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(-c2nccs2)c1	447796105	SORMIZWGIPCZCY-OAHLLOKOSA-N	409.536	5.222	30	20	HKED	
C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC[C@H]1c1csc(C)n1	460770859	NKDGDAYPCWCTCM-IBGZPJMESA-N	413.978	5.205	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	462923068	KFLREFZTHUNBCR-RCZVLFRGSA-N	412.489	5.309	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1	463702512	HMDSEWJOJOBHHF-UHFFFAOYSA-N	404.489	5.246	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(=Cc3ccccc3F)CC2)c1	465082253	DHOXVQKMHHCGGL-UHFFFAOYSA-N	416.452	5.189	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)CCOc1ccccc1	465117136	AVMHMWKBDKCDKD-IBGZPJMESA-N	414.505	5.489	30	20	HKED	
Cc1cccc(Cl)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	467649553	GXTCIAMGDUMDDA-UHFFFAOYSA-N	407.876	5.894	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccccc3O[C@@H]3CCOC3)c2)cc1	470589142	XTSDZABZDDKPGI-OAQYLSRUSA-N	415.449	5.162	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1	471612860	HCRBTKDKUILFTP-UHFFFAOYSA-N	412.293	5.258	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	474436829	WEDWCASRQQLOJH-HNNXBMFYSA-N	415.515	5.240	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1	475559878	GMAPZDBOPPIUPV-MRXNPFEDSA-N	420.513	5.480	30	20	HKED	
N#CC[C@H](CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1	475663739	DWCAJOLGQZJGKJ-UYAOXDASSA-N	419.525	5.530	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c(F)c1	475772138	QAFXFSYDCLTXIH-UHFFFAOYSA-N	404.203	5.458	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Br)c(Cl)c1)c1nc2ccccc2n1C(F)F	477859110	LLJORVGMDKQJNS-SNVBAGLBSA-N	424.632	5.337	30	20	HKED	
C=C(C)[C@H](NCc1ccc(OCc2ccncc2)c(OC)c1)c1ccc(F)c(F)c1	479420942	NAFMLHCLBOPUPI-DEOSSOPVSA-N	410.464	5.354	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c(F)c1	481334038	DLRKNOUDEJHUER-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
CCCOc1nc(C)ccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	482588116	PBJAKGZIBZRVHB-AWEZNQCLSA-N	413.449	5.071	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12	483234257	JWLXRRTUXCYPSK-SFHVURJKSA-N	403.894	5.810	30	20	HKED	
Cc1c(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)sc2ccc(C#N)cc12	484515344	DZZUPSCWFROSSL-SFHVURJKSA-N	406.482	5.098	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C1(C)CCN(Cc2ccccc2)CC1	484523967	GHTIZOCJHFBWGH-IBGZPJMESA-N	407.583	5.179	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	488928722	HAACHXGXMYBBLD-KRWDZBQOSA-N	408.889	5.648	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)o2)cc1	489796118	YSLAMRFKVZGTJH-QGZVFWFLSA-N	423.538	5.346	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1	490484738	BQMMLCZLQWPEBC-UHFFFAOYSA-N	419.978	5.492	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1ccccc1SCc1ccc(Br)cc1	497421051	ZQOCEXFVAZDGEB-UHFFFAOYSA-N	417.372	5.363	30	20	HKED	
CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	498163651	AHFQCNBQPBKXCZ-OAQYLSRUSA-N	401.466	5.188	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1cnc2ccccc2n1	498980936	UXBUAJHCVZUAHQ-HNNXBMFYSA-N	407.351	5.399	30	20	HKED	
COc1cc(Br)ccc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	499781966	OXVJELNUSAMRMY-UHFFFAOYSA-N	413.296	5.310	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)nn1-c1cccc(C#N)c1	503033057	OUVKKTWHBOKRIH-UHFFFAOYSA-N	414.415	5.250	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)cc1	505176100	GMGGFJACWHDBQZ-UHFFFAOYSA-N	414.480	5.124	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	505315121	VBSZRUJUZVPSGW-NTKDMRAZSA-N	414.505	5.149	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccccc2-c2ccccc2)c1C#N	506544748	ZTYLAWDOXVHLAM-UHFFFAOYSA-N	413.546	5.492	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(C#N)cc1	506889951	CEFUPFRORNLDNZ-BDJLRTHQSA-N	415.337	5.241	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1	508262078	AGJJBKHDFRYGMB-QFIPXVFZSA-N	413.477	5.728	30	20	HKED	
CCOc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	510750377	MNRZSDPEQOWSDA-UHFFFAOYSA-N	401.466	5.379	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2cccnc2)cc1	511384822	RSXWMYZXUNVMLM-XMMPIXPASA-N	412.493	5.096	30	20	HKED	
COCCN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](C)c1ccccc1	519913079	FJHWJIDPMULIMM-LJQANCHMSA-N	415.493	5.592	30	20	HKED	
Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)cs1	520532342	OKPRZBYKIFMOIR-UHFFFAOYSA-N	400.463	5.363	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1Br	521811259	ACVMFLOEZHTZMG-CYBMUJFWSA-N	404.333	5.165	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1cccs1	523983147	BIBFNIXMAMYHQY-XLIONFOSSA-N	421.591	6.248	30	20	HKED	
CC(C)n1cc2cc(NC(=O)c3cccc(COc4ccccc4C#N)c3)ccc2n1	524573223	PKQXCTNQWFPSHM-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1C(F)(F)F	525257163	JTLPXKYFMXWRCA-VIFPVBQESA-N	422.291	5.293	30	20	HKED	
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	537926599	AFFGZGFOZWWDJI-IBGZPJMESA-N	415.493	5.156	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c(C#N)s1	538073054	FZNWZZXEAGBJTB-UHFFFAOYSA-N	403.507	5.422	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	539409945	LUJPELKQBUONLK-UHFFFAOYSA-N	403.486	5.172	30	20	HKED	
C[C@H](N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(C#N)c(F)c1	539611415	NUXGFCUMNBXGGN-HJPURHCSSA-N	402.448	5.278	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NCc2nnc(-c3ccc(C#N)cc3)o2)cc1	540461140	WWFGKZSTRCOSEF-QGZVFWFLSA-N	410.477	5.135	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1cccc(Cl)c1C#N	541172710	CMYJPNOOBCNNCF-ZDUSSCGKSA-N	401.944	5.337	30	20	HKED	
C[C@@H](CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nccs1	541420228	UKAVZPQQBQKSHU-AWEZNQCLSA-N	411.914	5.336	30	20	HKED	
CC(C)Cn1ncc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C(F)F	543894413	WUAYODCSSQXHIW-INIZCTEOSA-N	422.479	5.506	30	20	HKED	
C[C@@H](Nc1ncc(C(=O)N(C)C)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	543895367	YMLDMDOVSRQUEH-OAHLLOKOSA-N	404.901	5.149	30	20	HKED	
C[C@H](Oc1ccccc1C#N)c1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1	545141271	JGXKDBJPJWPKNJ-JTQLQIEISA-N	410.207	5.528	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3scnc3C3CCCC3)c2)c1	545401369	ZQBVHYQQAPDKKC-UHFFFAOYSA-N	403.507	5.504	30	20	HKED	
CCOc1c(Cl)cc(-c2noc(CSCc3ccc(C#N)cc3)n2)cc1OC	546941560	DFDNCSATGKJDPW-UHFFFAOYSA-N	415.902	5.102	30	20	HKED	
N#CCCN(C(=O)c1ccnc(Oc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2	547621856	WFZGPIWCCGCGNK-UHFFFAOYSA-N	401.510	5.199	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1	550008181	HLGCRWDPIXODMB-UHFFFAOYSA-N	414.248	5.313	30	20	HKED	
N#C[C@@H](C(=O)c1cccc2cccc(Br)c12)c1cnc2ccccc2n1	556934102	NBZODMZJFZSQDV-OAHLLOKOSA-N	402.251	5.036	30	20	HKED	
CCN(Cc1cccc(-c2ccncc2)c1)Cc1cn(CCC#N)nc1-c1ccccc1	568086208	UFGSIZZLMVYRHX-UHFFFAOYSA-N	421.548	5.548	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)s2)cc1	570619485	LNFHPORGIKFKCS-OAQYLSRUSA-N	416.550	5.407	30	20	HKED	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	579418675	PBCGCXXAHVZBLN-UHFFFAOYSA-N	402.841	5.441	30	20	HKED	
CSc1ccc(-c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c(Cl)c1	589135733	LDUQIXSIESQMDH-ZDUSSCGKSA-N	414.893	5.117	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)c2ccccc2)CC1	596385081	AOIPFDBRRVFZAQ-QGZVFWFLSA-N	407.539	5.208	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCc2cccnc2)cc1)c1nc2cc(Cl)ccc2s1	603627406	HMUPXQVYIHWZKW-GOSISDBHSA-N	419.893	5.414	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCSc4c(F)cccc43)cn2)cc1	603690722	OYFXKVQFYQLXKX-IBGZPJMESA-N	420.469	5.243	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2nc3cc(C(F)(F)F)ccc3s2)cc1	603738111	RSLNSOWLAFTNPI-UHFFFAOYSA-N	407.442	5.059	30	20	HKED	
Cc1cc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n2c(nc3ccccc32)c1C#N	603862736	XPHNNKFKEZYBKZ-MRXNPFEDSA-N	424.508	5.125	30	20	HKED	
CC(C)c1ccccc1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604003432	DSNNEGGKOVFZJP-UHFFFAOYSA-N	414.505	5.473	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F	608945609	RVYAVZYBYYMCDO-DNVCBOLYSA-N	402.416	5.098	30	20	HKED	
Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1	609062603	WEHIUGMOIYHPMG-QGZVFWFLSA-N	422.916	5.194	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)CCc3ncc(-c4ccccc4)o3)c2)cc1	609176523	LCPVZYSJIIGRNG-UHFFFAOYSA-N	409.445	5.577	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1csc(Br)c1	609403167	ZLPQNQHYMLNEEK-GFCCVEGCSA-N	424.389	5.426	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)nnn1-c1ccc(-c2ccccc2)cc1	609407087	GKBICKOPSFUNBX-UHFFFAOYSA-N	413.868	5.020	30	20	HKED	
COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccccc1S[C@H](C)CC#N	609436708	SBUBWHFUSQICEN-LJQANCHMSA-N	411.571	5.378	30	20	HKED	
N#CCCN(C(=O)CCCCc1ccc(Br)cc1)c1ccc(F)cc1	609522254	YXTLVIDTGRGKEB-UHFFFAOYSA-N	403.295	5.248	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3cccc(F)c3)C3CC3)cn2)c1	609617224	RIZLCZYBROLOGB-UHFFFAOYSA-N	416.456	5.124	30	20	HKED	
C=CCN(C(=O)[C@H]1CSc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609814004	RGBLWWMGCJPEFE-KRWDZBQOSA-N	423.519	5.127	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cnn(CC(F)(F)F)c2)c1	609816544	DDAFRHVUSRFZPK-UHFFFAOYSA-N	420.778	5.015	30	20	HKED	
C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1F)C(=O)N(CCC#N)c1ccccc1	610139799	HTRYKYQAADWEPP-CJFMBICVSA-N	415.512	5.034	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)c(F)c1	610224429	QFPGRFQWJJLFPU-LIRRHRJNSA-N	410.851	6.016	30	20	HKED	
C[C@H](NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1cccc(C#N)c1	610359998	LNWSXXWXZXRUBD-NYHFZMIOSA-N	408.473	5.547	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCOC[C@H]3c3ccco3)cc2Cl)cc1	614150350	UIBCZWMREIIREN-IBGZPJMESA-N	423.856	5.202	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)cc1	619342935	LUXWBKHENQYYHK-QFIPXVFZSA-N	403.526	5.116	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1	669675461	PAJNWJYNWRQAGB-UHFFFAOYSA-N	408.505	5.364	30	20	HKED	
O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674443163	DXVRPSIVTGBCIP-HOTGVXAUSA-N	421.312	5.431	30	20	HKED	
N#Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl	681721548	WKCCJCDWIBZEIZ-GFCCVEGCSA-N	405.788	5.330	30	20	HKED	
COc1ccc(C(C)=NNc2c(Cl)cc(Cl)cc2Cl)cc1NC(C)=O	726418322	YMVDYKYTWMZVTN-UHFFFAOYSA-N	400.693	5.450	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726484173	GJAWIFKTFGZEKX-OAHLLOKOSA-N	411.983	6.233	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1Cl	727628063	RTJAVFTXEDFDAY-MSKHEQNASA-N	407.684	5.398	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c[nH]c2c1	728182653	COFOGWSWQGAFLA-UHFFFAOYSA-N	413.452	5.247	30	20	HKED	
Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1cc2cc(Br)ccc2o1	728440034	RVEIGDDIGGBDFZ-ONEGZZNKSA-N	400.059	5.132	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1	728479541	ZKYFERVBGQVWRD-UHFFFAOYSA-N	422.937	5.610	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(C)C)s1	729035807	ICHVWWUJCJAKCB-QHCPKHFHSA-N	403.551	6.155	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1cnn2ccccc12)C(=O)c1ccccc1	729643927	LMPMEDHLRWPHIM-QJOMJCCJSA-N	423.516	5.364	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2o1	730072612	YZWAUSHSJJOLDO-AOMKIAJQSA-N	420.440	5.816	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1	730393706	AQBJWROXEIPIEN-BEFAXECRSA-N	416.930	5.954	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)n1	730684731	CPWVEXHFZPENJE-DNVCBOLYSA-N	400.862	5.241	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)c1	731958531	WSPDQSBRXIUWHE-UHFFFAOYSA-N	420.490	5.027	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2cc(C(F)(F)F)ccc2F)SC1=S	733370230	ZRWITBACYGRPLF-NVNXTCNLSA-N	408.401	5.122	30	20	HKED	
CCCCCOc1cc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)ccc1OC	734235363	MCFYKFLPTMOZGD-WUXMJOGZSA-N	423.553	5.121	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccccc1C(F)(F)F	735320464	TTWNZIUMPAZUDI-UHFFFAOYSA-N	414.836	5.133	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=S)Nc3ccccc3C#N)cc2c1	739438287	VLKFEXQZUSEKMR-UHFFFAOYSA-N	401.491	5.605	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNC2(c3cccc(Br)c3)CCCCC2)cc1	742387568	FEJYBQORMYCDHN-QGZVFWFLSA-N	413.359	5.689	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@]34CCCc3ccccc34)n2)cc1	744062705	VVEGPBLJAQGLNC-FZOAFFARSA-N	414.530	5.289	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	746126154	RWNWYDGDDHOOMV-CZUORRHYSA-N	417.456	5.184	30	20	HKED	
C=CCOc1ccccc1CN(C(=O)CCCn1ccnc1)c1ccc(C)c(C)c1	748610724	QYRDDXWHTSZVKX-UHFFFAOYSA-N	403.526	5.078	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1C#N	752198924	CZINZWZREUDVBC-LLVKDONJSA-N	406.269	5.176	30	20	HKED	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	752238470	QBSKOZVRWPEHAF-YWZLYKJASA-N	407.495	5.046	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cncc(-c2ccccc2)c1	757875551	QCNYONDMYJNXLE-IBGZPJMESA-N	423.444	5.024	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CCC(F)(F)F)cc1	758411371	VTACQTKGHJFQMX-QFIPXVFZSA-N	408.423	6.089	30	20	HKED	
N#C[C@@H](C(=O)COC/C=C\c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	763475834	IZWUXCOTMLARDZ-OCTSTCLRSA-N	408.910	5.370	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	764459381	OPDIMOVWCSRZOK-VWNXMTODSA-N	424.548	5.574	30	20	HKED	
CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)c2ccc(C#N)s2)cc1	766590072	IDZCXIUKOWKCAQ-UHFFFAOYSA-N	412.518	5.081	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	767208008	NDOUBIBACXJJJK-UHFFFAOYSA-N	402.420	5.196	30	20	HKED	
CC(=NOCc1nnc(-c2ccccc2Cl)o1)c1nc2ccccc2n1C(F)F	768521286	HDNLQNOUSNSIPZ-UHFFFAOYSA-N	417.803	5.076	30	20	HKED	
N#Cc1c(Cl)cccc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	771457969	QZULLAJMCLQZJG-UHFFFAOYSA-N	406.121	5.903	30	20	HKED	
C=CCN1C(=O)N(c2ccc(C(C)(C)C(F)(F)F)cc2)C(=O)[C@H]1Cc1ccccc1	772128611	WHODFJYAPLPMTF-LJQANCHMSA-N	416.443	5.092	30	20	HKED	
C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C)(OC)CC2)c1=S	774647873	RYGSGOZDWNTPOQ-UHFFFAOYSA-N	414.619	5.023	30	20	HKED	
COc1cccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c1	776164634	UZBRUMRMDLVPRF-BXKMTCNYSA-N	406.913	5.691	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(C2(C#N)CC2)cc1	777175677	AHKGRNGIYLNLCD-UHFFFAOYSA-N	404.510	5.284	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1nc2ccccc2s1	778290392	VZNPMBPYOZWXDT-GOSISDBHSA-N	422.513	5.444	30	20	HKED	
C[C@@H](Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1ccc(OCC#N)cc1	779078108	RLEMMMJLLSAWTL-OXQOHEQNSA-N	400.906	5.363	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1	780164372	KHFPHDZKHLRUHE-KRWDZBQOSA-N	420.896	5.391	30	20	HKED	
Cc1ccc(S[C@H](C(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2)c(C)c1	780175233	DJYIMQKNADUFRZ-CYFREDJKSA-N	416.546	6.066	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3ccc4ccccc4c3)n2)cc1	780327061	DKQMYFMWWGTHAH-JOCHJYFZSA-N	423.497	5.480	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)nc2Cl)nnc1-c1ccc(OC)cc1	788098438	APSRTQCEHUTFAR-UHFFFAOYSA-N	407.326	5.134	30	20	HKED	
Cc1nc(SCC(=O)[C@H](C#N)c2nccc3ccccc23)c2c(C)c(C)sc2n1	792093404	IAYCFBUHTMQMJT-KRWDZBQOSA-N	418.547	5.133	30	20	HKED	
CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)[C@H](C#N)c1cnc2ccccc2n1	792109219	GZQRBGQKZAJBFN-MRXNPFEDSA-N	414.292	5.218	30	20	HKED	
Cn1c(CC(=NOCCCCC2CCOCC2)c2ccccc2)nc2ccccc21	799175561	FJQCDVYJLAPGDH-UHFFFAOYSA-N	405.542	5.134	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	799225540	MOXCPACAEQRPJH-BPLDGKMQSA-N	404.297	5.352	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1c(Br)sc(C)c1C	799601238	WSNACXVTSFVQFK-CYBMUJFWSA-N	415.312	5.123	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1	802042985	NKHQXXQLKAOYGW-VGOFRKELSA-N	418.537	5.101	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1Cl	805260434	GYOCDHMXFKQOKD-UHFFFAOYSA-N	417.223	5.754	30	20	HKED	
C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1	811859727	ZDQYSKRDHWLWNW-GAJHUEQPSA-N	419.912	5.049	30	20	HKED	
COc1ccc(/C=C/C(=O)c2csc(-c3ccccc3F)n2)cc1OCCCC#N	812245629	WDKJFJGLOTUSAJ-CSKARUKUSA-N	422.481	5.536	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1ccc(Cl)cc1	814621379	WHPKOLIAJISSNP-QFIPXVFZSA-N	421.884	5.168	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)c1nc2cc(Cl)ccc2s1	815913178	JSYCJOCNBGHHFA-LBPRGKRZSA-N	400.290	5.503	30	20	HKED	
C=CCSc1ccccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1	816857567	KXYQGAVOEQZEEF-KRWDZBQOSA-N	416.587	5.017	30	20	HKED	
CC(C)(C)c1csc(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)c1C#N	821481751	LWDMPDVBAKMGBJ-UHFFFAOYSA-N	417.962	5.086	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(-n2cccn2)cc1	878902358	QPJTYIIQFWJABV-XFXZXTDPSA-N	417.472	5.016	30	20	HKED	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)Nc1ccccc1C#N	915994132	IGWWKZPDSUTLFQ-UHFFFAOYSA-N	407.520	5.272	30	20	HKED	
CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928793	UOMIJNVNHIKCSS-CEUCYRDJSA-N	415.320	5.652	30	20	HKED	
N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	917045545	WOLMVLUMEVMQBF-OAHLLOKOSA-N	407.322	5.103	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H]2c2ccsc2)c1=S	917454853	JEKZDPVWFAEJLP-SFHVURJKSA-N	400.548	5.262	30	20	HKED	
CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1	1790893706	UKJVTGBGPRJEAV-NRFANRHFSA-N	422.550	5.135	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC(C)(C)C2)CC1	1831929950	AMQKCABKMODLIK-NRFANRHFSA-N	402.623	5.035	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2cccc(C)c2)c1	14872164	YMTOZYKURFFVMY-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CCCCc1nnc(/N=C(\O)c2sc(-c3ccco3)nc2-c2ccccc2)s1	29645055	ZUVAKOHGGWFLDH-UHFFFAOYSA-N	410.524	5.901	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	54256465	QRVPIWBUUJYFPL-UHFFFAOYSA-N	403.869	5.035	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1	58272671	BHDMDKPDXUCZSD-UHFFFAOYSA-N	413.823	5.118	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2	72072235	FLHMZBGYEYJNTK-NTCAYCPXSA-N	422.315	5.624	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	116317314	BGFGURVDVBZERH-UHFFFAOYSA-N	400.478	5.106	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccccc2)ccc1OCC(=O)N(C(C)C)C(C)C	210550988	GTFQXGSNMFVLPI-OWBHPGMISA-N	409.526	5.006	30	20	HKED	
O=C(c1ccc(C(F)(F)F)nc1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	410098114	FFTRPAZFDHLYIX-UHFFFAOYSA-N	420.328	5.220	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1	430932711	GYHHVIGVLAGOPR-QFIPXVFZSA-N	423.488	5.227	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1cccnc1)C(C)C	435129802	NXUMASHFYSXLQE-HSZRJFAPSA-N	414.509	5.615	30	20	HKED	
CSc1c(F)cccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	436119178	BAGMFCZZLUHWFJ-UHFFFAOYSA-N	406.482	5.445	30	20	HKED	
CCc1ccnc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	436356137	ZXAHWLDGRLYHOP-UHFFFAOYSA-N	420.900	5.070	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)cc2)nc1	437458865	GZCUNLDZEIVIEJ-KESTWPANSA-N	403.869	5.075	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(Oc4ccccc4C#N)c(F)c3)o2)cc1	439664132	UFWRCQGFYJMRMY-MRXNPFEDSA-N	414.440	6.021	30	20	HKED	
Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)CCCCOc2cccc(C#N)c2)c1	440901091	LKYZOGPKERWYGW-UHFFFAOYSA-N	422.916	5.026	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1ccccc1C	460586453	SALGEKUJUQUNDK-NRFANRHFSA-N	418.541	5.188	30	20	HKED	
Cc1ccc2c(CCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c[nH]c2c1	465029382	QHXGENKIFHKXMN-UHFFFAOYSA-N	410.477	5.415	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(-n2cccn2)c1	467610473	KDDHXZOMKUWMNR-SFHVURJKSA-N	423.476	5.419	30	20	HKED	
CC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1nc(C(F)(F)F)cs1	467714563	QZHKCUZAYBLYCO-SECBINFHSA-N	415.334	5.593	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1)OCC	468612379	PXHDOJGFBMCSHY-QGZVFWFLSA-N	419.319	5.255	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CC4(CCC4)Oc4ccccc43)ccc21	468810760	CFIRVHAKLLFLQO-NRFANRHFSA-N	401.510	5.128	30	20	HKED	
CCC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc([N+](=O)[O-])c1	469146007	CDDJFHHNQIOHBK-NRFANRHFSA-N	406.486	5.131	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H](c1ccccc1)C2	469766614	CZRAANJKTXMSRO-AVRWGWEMSA-N	411.505	5.137	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1	470133454	ORURKNPWVXZGSO-WPRPVWTQSA-N	420.300	5.154	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3nnc(-c4ccc(Cl)cc4)o3)c2)cc1	471667219	IWHXSOXZKBYIKR-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1cccc(Cl)c1F	473438805	WTYUFWMZCNEAMR-CQSZACIVSA-N	419.953	5.194	30	20	HKED	
COCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1	475382499	RQKORAIBQUZDKT-PXNSSMCTSA-N	418.459	5.329	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F	475578233	NIPVLAVOPYKRQB-FQEVSTJZSA-N	406.448	5.972	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(COC(C)(C)C)c2C)cc1	475610845	HBCMNBNBSRTPJS-UHFFFAOYSA-N	410.518	5.262	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(F)c1	475899002	LUPUFPZCQYDYGR-QHCPKHFHSA-N	419.475	5.413	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)c1ccccc1	476332813	LWVSDJLQMJFLEL-IBGZPJMESA-N	400.444	5.499	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1c(C)nc2ccc(Br)cn12	477004044	VVORLRQLAJECKS-UHFFFAOYSA-N	412.331	5.509	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(C3CC3)C3(C#N)CCC3)c3cnn(C(C)C)c3n2)s1	477435300	YPDFHFDBKJXYFP-UHFFFAOYSA-N	419.554	5.100	30	20	HKED	
C=C(C)CN(C)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1	477510757	NNXPCDCNPZXBRI-UHFFFAOYSA-N	411.889	5.614	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1cccc(Cl)c1Cl	482584635	WAZTWBVCKYLLJM-UHFFFAOYSA-N	409.361	5.101	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c[nH]1	489025194	CKSBCNLGDLCYPL-UHFFFAOYSA-N	418.840	5.026	30	20	HKED	
C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1	489974270	WVTHQXBSPCSSTO-UUOWRZLLSA-N	410.521	5.474	30	20	HKED	
CSc1cccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1[N+](=O)[O-]	493985544	NIPCMHLECLLMAV-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1(F)F	494508460	ITWNJKUFNMZVRD-KBXCAEBGSA-N	403.860	5.504	30	20	HKED	
N#CC1(CCCN[C@H](CC2CC2)c2cc(F)cc(Br)c2)CCOCC1	499643734	DORUAHLCWWQAKF-LJQANCHMSA-N	409.343	5.120	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)c1C	499730945	JMTOZTUFIKACCV-FDDCHVKYSA-N	422.573	5.455	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)c1ccc(F)cc1F	500758271	JWBGLMONEKCYMC-UHFFFAOYSA-N	420.415	5.539	30	20	HKED	
C=CCOc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1OC	503261481	BYFPZASJYDKBBG-QFIPXVFZSA-N	408.929	5.382	30	20	HKED	
N#Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1	504577584	LQOXGMMCFATJMN-UHFFFAOYSA-N	410.304	5.032	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(Sc2ccccn2)c1	506778175	JDXIDPDBSPAOJK-UHFFFAOYSA-N	417.538	5.190	30	20	HKED	
CCN(C(=O)Cc1ccc(N[C@H](C)c2ccc(C#N)cc2F)cc1)c1ccccc1	512276967	BDQGAQWQYIYBLP-GOSISDBHSA-N	401.485	5.466	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1	512512188	RDZRPBWQNLMTCA-DZGCQCFKSA-N	408.502	5.251	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C	514247341	YSGHSGBBNQUMBY-UHFFFAOYSA-N	402.237	5.089	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1ccccc1SCc1csc(C)n1	515871730	WEDBJLCYYZWJBF-UHFFFAOYSA-N	412.555	5.711	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cn1)c1ccccc1	516402070	NEEROXQGFTYTFC-GOSISDBHSA-N	401.466	5.156	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1	517353732	SXPPKIDHFXFZQH-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	517511713	NEALZKLEWKWJCO-WAIKUNEKSA-N	411.461	5.197	30	20	HKED	
C=CCN(C(=O)c1cc(C#N)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	517547320	VNVOLTHIJBDDOI-UHFFFAOYSA-N	424.869	5.076	30	20	HKED	
Cc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1NC(=O)C(C)(C)C	520343419	FWLUHYDHSREZOT-UHFFFAOYSA-N	407.514	5.039	30	20	HKED	
C=CCn1c(SCc2sccc2Br)nnc1-c1ccccc1F	520355782	VGCXIWMYLDCJHD-UHFFFAOYSA-N	410.337	5.387	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1	520875740	TTYMSGATAQLIKB-IEBWSBKVSA-N	408.926	5.159	30	20	HKED	
COc1ccc(N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](C)C2CC2)cc1	521096332	CUKNSHYNDRYBQN-KRWDZBQOSA-N	413.477	5.199	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2F)n1	523247959	DLNJNHZFIGJXNH-HNNXBMFYSA-N	422.506	6.119	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	523626129	OLERKRNYFZOPHB-UHFFFAOYSA-N	401.514	5.051	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccco3)cc2)cc1	524073980	IPPBXGJJINKKPZ-QFIPXVFZSA-N	401.466	6.093	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2ncc(-c3ccc(F)cc3)o2)cc1F	525200497	ONPTUKWGOZTHNL-UHFFFAOYSA-N	403.388	5.896	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)noc1C	533856186	GEBXRPXZBLKTCB-CTNGQTDRSA-N	422.916	5.873	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2cnn(C(C)C)c2n1	537476974	YXMQCMCBBMERTF-CQSZACIVSA-N	409.902	5.074	30	20	HKED	
N#CCc1ccnc(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)c1	537930605	BFIKQOFNVBYFLO-UHFFFAOYSA-N	403.385	5.027	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1-c1ccccc1Cl	539731139	UAPCDWHYPVUFPP-AZUAARDMSA-N	419.916	5.138	30	20	HKED	
C=CCN(C(=O)c1cnc(Oc2ccccc2)cn1)c1nc(-c2ccccc2)cs1	540248331	PAKYRBMUIIJVEH-UHFFFAOYSA-N	414.490	5.225	30	20	HKED	
C[C@@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	541992355	YNZHMJOWJBMZDA-OAQYLSRUSA-N	419.528	6.050	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	553102218	GMXALDPHFBZAEL-UHFFFAOYSA-N	421.337	5.028	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	553319786	BYLATFHCOLSXOJ-IERDGZPVSA-N	409.555	5.631	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1	553325711	GNQDAISYLUBZAV-NQIIRXRSSA-N	421.972	5.223	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1)C2	554886956	KIECLECCTQZFLE-JAXLGGSGSA-N	410.905	5.146	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc2)ccn1	562189326	IFBZULBBPWYLPR-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
CSc1ccccc1NC(=O)[C@H](C)SCc1ccc(C#N)cc1OC(F)F	569285696	XKGFDLDCKVSZOG-LBPRGKRZSA-N	408.495	5.142	30	20	HKED	
COc1ccc(SCCC(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1	574067707	FGIVAXLJQJEEGV-UHFFFAOYSA-N	402.519	5.282	30	20	HKED	
CCSCc1ccccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	582705552	OYFQVZPTIOYFTQ-UHFFFAOYSA-N	403.507	5.559	30	20	HKED	
C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1c(Cl)cccc1Cl	588024761	UVZRQKLSZRCURE-CYBMUJFWSA-N	421.299	5.178	30	20	HKED	
N#CCCCCCc1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	589138484	NRYMDXPZTWTDSW-UHFFFAOYSA-N	403.269	5.857	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(-c3ccccc3C)n2)cc1	589323500	FNCUWXLMGCOGML-UHFFFAOYSA-N	417.534	5.185	30	20	HKED	
C=CCCCCCN(C)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1	606814941	ZLNSXUAZWVCHBA-UHFFFAOYSA-N	421.335	5.143	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	608917965	GVFZBOMQFSMZAZ-GOSISDBHSA-N	418.566	5.671	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc2ccccc12)c1ccc(OCc2ccccc2)cc1	609173581	UBUKPWUODJPVKE-QHCPKHFHSA-N	412.514	5.404	30	20	HKED	
CCCC(=O)Nc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	609298170	BCIKJCCIRHOCPC-UHFFFAOYSA-N	417.440	5.481	30	20	HKED	
COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccccc1SC[C@@H](C)C#N	609387198	SHISUOKCFJMHEE-KBPBESRZSA-N	403.935	5.039	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C1CCCCC1	609648555	QEMRDYQPINUNPS-OAQYLSRUSA-N	406.530	5.697	30	20	HKED	
CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	609772970	QMHAKYBHANGAIK-PZJWPPBQSA-N	409.555	5.241	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3ccccc3F)CC2)c1	609864185	NRVTXLBGKGLYHB-UHFFFAOYSA-N	414.480	5.296	30	20	HKED	
CC(C)(C#N)c1ccc(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1	614058695	PKTWCCYLOPNELD-UHFFFAOYSA-N	409.533	5.232	30	20	HKED	
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cn(C(C)(C)C)nc1-c1cccc(OC)c1	639404726	QFZRVAXLFBUTJH-QHCPKHFHSA-N	416.525	5.066	30	20	HKED	
C=CCOc1c(Cl)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1OC	639409708	URHWVKSVWQCKFM-JOCHJYFZSA-N	424.884	5.273	30	20	HKED	
COC[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1	678766023	FAPUTZIYWDFDGM-HFAKWTLXSA-N	405.329	5.151	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccc2ccccc2n1	679978146	UQBZHIJGCKGCDI-NRFANRHFSA-N	410.860	5.609	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1	727223889	AOERFTATCZBDBB-UHFFFAOYSA-N	412.537	5.637	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1ccccc1SCC#N	728037172	GWEAIOFDURTSGG-GOSISDBHSA-N	402.519	6.003	30	20	HKED	
N#C[C@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccn1	728148283	YVKZHQZZRYFSGR-QFIPXVFZSA-N	413.908	5.547	30	20	HKED	
Cc1nc(CCC(=O)N2CCCSC2=Nc2ccccc2)oc1-c1ccccc1	730160563	JZKKKXHNKGCZBU-UHFFFAOYSA-N	405.523	5.236	30	20	HKED	
O=C(O)COc1cccc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	733206425	JJXLEWOPYKQQGT-SNAWJCMRSA-N	418.289	5.084	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)[C@@H](C)Oc1ccc(C#N)cc1	734738641	KYWHEDWSEOEPIF-LSDHHAIUSA-N	410.470	5.201	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N	735318292	JVLBVPKJYOCOFS-OAHLLOKOSA-N	416.974	5.628	30	20	HKED	
CS[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	740530895	GEEVHTDMTGCGKV-CXAGYDPISA-N	406.454	5.596	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	741111264	JAEUGVSOQBBBQV-KXBFYZLASA-N	408.548	5.484	30	20	HKED	
Sc1nnc([C@H]2CCCCO2)n1N=Cc1ccc(-c2ccc(Cl)cc2)s1	743452758	XOXNYHHEBUBOSK-OAHLLOKOSA-N	404.948	5.073	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)n2)cc1	744061152	HNCOBQCSPFRSIG-BPQIPLTHSA-N	410.445	5.077	30	20	HKED	
C=C(Br)CNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1	748622190	FLBHDRWUQPMBOA-MRXNPFEDSA-N	418.335	5.220	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H]1c1cc(C)on1)c1ccc(C(F)(F)F)cc1	749872404	RQYWCAHVETZJNU-MJGOQNOKSA-N	407.436	5.556	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1C#N	752297131	JPNKVNPEPNHSKW-LIRRHRJNSA-N	422.485	5.040	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2cccc(F)c2)cc1	752485377	NIDRIXRIBRCNCH-HSZRJFAPSA-N	402.473	5.105	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4cccc(F)c4)CC3)cn2)c1	752639232	WDICAEBGFVLFPY-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1coc(-c2c(F)cccc2F)n1	752786813	PJAHZXDORSCZIY-UHFFFAOYSA-N	422.435	5.032	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NOCc2ccc(F)cc2)cc1Cl	755947816	PGQGXFJWJWHVFK-FQEVSTJZSA-N	409.848	5.388	30	20	HKED	
COC1CCC(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1	759218266	WQCYXWLCPQPQKV-PXCJXSSVSA-N	423.365	5.888	30	20	HKED	
C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	759498178	YQCVJSKQRCDMIX-JJXUHFIVSA-N	423.900	5.222	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C2\CCc3c(Cl)sc(Cl)c3C2=O)cs1	760263630	FZISSKVXLDKAJO-RMKNXTFCSA-N	401.340	5.097	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	766131525	MPHPVUVVTLMRBR-FLIBITNWSA-N	419.843	5.255	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2SCC#N)sc1Cc1c(F)cccc1F	773530340	VJUOIFSGXJUJAL-UHFFFAOYSA-N	415.490	5.189	30	20	HKED	
C[C@@H](NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(OCC#N)cc1	776156384	LIOSESHGLAFIIK-OAQYLSRUSA-N	422.532	5.352	30	20	HKED	
COc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)cc1	776163473	BQXVWJFHJRGZTM-XDHUDOTRSA-N	406.913	5.691	30	20	HKED	
CCCN(C(=O)/C=C\c1ccccc1C#N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	776965952	DUPNLOCBRNKTJO-LHPDUPQPSA-N	413.496	5.442	30	20	HKED	
CCOc1ccccc1C=NOCc1cc(-c2c(OC)ccc3ccccc23)no1	778018593	DTZINKDHOLHTGM-UHFFFAOYSA-N	402.450	5.453	30	20	HKED	
Cc1cc(Br)ncc1NC(=O)c1ccccc1Oc1ccccc1C#N	778019090	ISLSHIYXPNLCTB-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C3)cs1	780672902	LDRSBZOEKIGMBW-ZDUSSCGKSA-N	424.551	5.061	30	20	HKED	
COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(C#N)cc3Cl)cs2)cc1	788361209	WYKUNWGAOUMXEZ-YCRREMRBSA-N	410.882	5.152	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl	789458174	ZCJBGBCYJQADFO-LHSJRXKWSA-N	404.913	5.575	30	20	HKED	
C=CCOc1ccccc1CN(C(=S)Nc1ccsc1)c1ccc2c(c1)OCO2	790302146	IDIOHHKWOUUXCS-UHFFFAOYSA-N	424.547	5.445	30	20	HKED	
CC(C)[C@](C)(NCc1ccc(O[C@H](C)C#N)cc1)c1ccc(Br)cc1	790994721	CPVKYAJXWOFBEK-IERDGZPVSA-N	401.348	5.401	30	20	HKED	
COc1cc(OC)cc(Oc2cccc(CN[C@H](C)c3ccc(OCC#N)cc3)c2)c1	797008181	HWDDHGFAYREFHA-GOSISDBHSA-N	418.493	5.249	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1Sc1nc(Cl)c(C#N)s1	804337499	CVTHGOZEGZGANX-UHFFFAOYSA-N	419.963	5.036	30	20	HKED	
CC(=O)c1ccc(C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c(F)c1	809127534	IAVZPERKJNVMGU-OAHLLOKOSA-N	408.269	5.508	30	20	HKED	
CC(/C=C/C(=O)c1cc2c(s1)SCC(=O)N2)=C\c1ccccc1OC(F)F	811694950	YDFTUCGHCXTSRV-HRCSPUOPSA-N	407.463	5.236	30	20	HKED	
Cc1c(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)sc2ccc(C#N)cc12	815727800	JTCANHKPBKOCEW-LBPRGKRZSA-N	422.897	5.276	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1	915100347	VNUBKLNOLVPLFD-LJQANCHMSA-N	421.472	5.687	30	20	HKED	
CCn1c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc2ccccc21	915351862	HJLGLCNIFPFNAW-NRFANRHFSA-N	409.493	5.033	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)nc2ccccc21	916845017	NQPNBIOFSDKEJP-BRWVUGGUSA-N	412.518	5.109	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)c1	916897338	GZOWGGDTYIDYLF-OAHLLOKOSA-N	417.515	5.294	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)s1)C(=O)Nc1ccccc1Oc1ccccc1	916911990	YUCSKAGKKYYJLZ-JICACKBISA-N	422.893	5.555	30	20	HKED	
CCc1cccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917042078	BJKUAHRAQXSFNT-HNNXBMFYSA-N	404.413	5.133	30	20	HKED	
Cc1cc(/C=C\C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c(C)n1C1CCCCC1	918035746	GABIPRTXRLIXGU-FNDLEWIFSA-N	419.525	5.065	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc(F)c1)c1nc2cc(C(F)(F)F)ccc2s1	918491549	CKKRNBZTACBYSJ-HNNXBMFYSA-N	422.403	5.490	30	20	HKED	
Cc1cccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920141780	QWIDNRAEKJWGEY-FQEVSTJZSA-N	401.491	5.026	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)c1	921132391	QKJLEEVTQQWWDK-CYBMUJFWSA-N	415.927	5.103	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3)cc2)CCC1	1787298792	ZOFAOQMXBFSAEV-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3O)cc2)CCC1	1790931130	NOEZIKUMRAPDTH-INIZCTEOSA-N	418.493	5.098	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1828821685	PXDIHVFWGMUWJX-PMACEKPBSA-N	424.576	5.056	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2Cl)CC1	1829068746	NXPNOFUHYQQRKD-IBGZPJMESA-N	420.981	5.159	30	20	HKED	
O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1	10170481	KZALKISEWSMFID-UHFFFAOYSA-O	423.508	5.182	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2CC)cc1	10174400	HSSRWMMOCNKCJU-UHFFFAOYSA-O	423.627	5.828	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCSc2cc(F)ccc2F)n(Cc2ccco2)c1C	14073860	PTYCTDKFSPDZKK-UHFFFAOYSA-N	415.465	5.017	30	20	HKED	
C=CCn1c(SCc2c(C)nn(-c3ccccc3)c2Cl)nnc1-c1ccco1	23202154	LLIAISAWYHHQKB-UHFFFAOYSA-N	411.918	5.164	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cc(C)cc(C)c2)o1	26497931	VDHGUXNYJMZHPN-MRXNPFEDSA-N	413.568	5.110	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccnc2)nc2scc(-c3cccs3)c2c1=O	59324850	VKBMSSHVFQQXRB-ZDUSSCGKSA-N	411.577	5.621	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)sc2c1CCCC2	60666473	PDBCZWRDDZGGJD-UHFFFAOYSA-N	407.520	5.065	30	20	HKED	
C[C@H](N[C@@H](Cc1ccccc1Cl)c1ccccc1)C(=O)Nc1ccccc1C#N	63311999	ZOVBLXWGQQEYKL-SBUREZEXSA-N	403.913	5.112	30	20	HKED	
COCc1c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)sc2cccc(F)c12	105672088	IAGSLKLXTSAROS-UHFFFAOYSA-N	416.477	5.234	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)/C=C\c2ccccc2C#N)c1	207115763	KUFUWQFPWJIALA-IBIZNAIESA-N	423.516	5.320	30	20	HKED	
Cc1ccccc1-c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1	212639081	CCRDSLLIFKYWMX-DEDYPNTBSA-N	405.523	5.018	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1	410353588	SLFMZERGSOUEIG-UHFFFAOYSA-N	419.550	5.018	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	432770827	IOZGYPBKKIHIFM-OAQYLSRUSA-N	406.530	5.162	30	20	HKED	
C[C@@H](NC(=O)CN[C@H](CCCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1	433027333	KFEMQHXMVBLGNL-FOIQADDNSA-N	404.341	5.195	30	20	HKED	
CCn1c(NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)nc2cc(C#N)ccc21	433842919	RALMTSXTGPIZEB-UHFFFAOYSA-N	400.404	5.020	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	437862863	FXHKJMFBTORPMJ-UGSOOPFHSA-N	421.394	5.253	30	20	HKED	
CO[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1	438044690	NFFVFPTTZCCRKR-KDOFPFPSSA-N	403.935	5.101	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC	439667833	ZOQACOQTOKELSY-UHFFFAOYSA-N	417.488	5.056	30	20	HKED	
Cc1sc([C@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	445695618	WOTDBGRYCDCFLT-KGLIPLIRSA-N	424.957	5.765	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccccc1C[S@](C)=O)c1ccc(C(F)(F)F)cc1	460229191	DEAABSNFMKHSKL-YRVHBCJASA-N	424.488	5.413	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C#N)c2)nc1-c1ccccc1	463648778	JMOLRXJWTDHTJM-HXUWFJFHSA-N	402.454	5.586	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1	464893182	IXFKFNMBXIFEFG-HRAATJIYSA-N	404.466	5.245	30	20	HKED	
O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@H]1CCC[C@H](C(F)(F)F)C1	468063084	YGSGZNBZVKZVJF-RYUDHWBXSA-N	411.361	5.361	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1nn(C(C)C)cc1C#N	469011447	PSTDZNOHHHRYSN-UHFFFAOYSA-N	409.493	5.041	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1c(F)cccc1F	469131406	ZDTWRSQAWVGOAH-CQSZACIVSA-N	412.465	5.106	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1OC(F)F	469280936	XDDNAIMBDKAYSQ-CQSZACIVSA-N	417.431	5.183	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccccc1OC(F)F	472324717	IFEQYNTUFAQDBM-CQSZACIVSA-N	405.470	5.046	30	20	HKED	
COc1csc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	473948265	KDYNKNHSZNABHP-LBPRGKRZSA-N	409.319	5.677	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCCC[C@H]2c2nc3ccccc3o2)c2ccccc21	474231106	KRJNFNLYHJBQPE-QFIPXVFZSA-N	412.493	5.106	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1NC(=O)c1ccccc1F	474439117	KZFUZVVIJCURKA-QGZVFWFLSA-N	421.497	5.456	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1cccc(F)c1)c1nccn1C	475584415	YRODUGNVBCOBQI-JOCHJYFZSA-N	406.505	5.322	30	20	HKED	
COc1cc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F	478785542	FMDDXBQUJRTFBH-UHFFFAOYSA-N	406.482	5.559	30	20	HKED	
N#Cc1cn(Cc2nc(-c3ccccc3Cl)cs2)c2ccc(Cl)cc2c1=O	479229221	XXCHZRBTEGJCJJ-UHFFFAOYSA-N	412.301	5.352	30	20	HKED	
FC(F)C(F)(F)COCCNc1ccc(-c2csc(C(F)(F)F)n2)cc1	480142823	FLCHQHYIFPBRTR-UHFFFAOYSA-N	402.335	5.158	30	20	HKED	
CCc1noc(C)c1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	480658893	LBKPYEQOCBQGBG-UHFFFAOYSA-N	410.861	5.294	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	482647937	LRYKDVZBOMHXQW-UHFFFAOYSA-N	408.232	5.035	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1nccc2ccccc12	483208955	ZWWOGXHEYFPMNI-MRXNPFEDSA-N	419.200	5.506	30	20	HKED	
CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	483444017	MTLJSQPWIIADGA-FCHUYYIVSA-N	409.555	5.127	30	20	HKED	
COCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CC[C@@H](C)C1	484202586	ZFJHGJZCYWXYTA-DENIHFKCSA-N	421.541	5.001	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccccc1	488679941	WNXKTPVMKYIKGT-HSZRJFAPSA-N	400.478	5.003	30	20	HKED	
CC(=O)Nc1cccc(Nc2nnc(SCc3ccccc3C(C)(C)C#N)s2)c1	489122942	MDRNIXGVIMZWPB-UHFFFAOYSA-N	423.567	5.334	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(C)cc1	489658165	RTSHJDGTTGBXCS-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F	494680184	RZOZEXYFCHPURD-OPAMFIHVSA-N	406.432	5.028	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc4ccccc4c3)c2)cc1	501460677	HAHDRPKMLQIWQH-UHFFFAOYSA-N	406.485	5.666	30	20	HKED	
O=C(CCOCC(F)(F)C(F)F)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1	501998983	FXCVNGRKLQZLGA-UHFFFAOYSA-N	424.316	5.013	30	20	HKED	
N#C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1	505977921	XFLOGVCTBKVUBN-XJKSGUPXSA-N	401.215	5.410	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1	508155959	CHIHKCSYSSQLIS-FQEVSTJZSA-N	420.553	5.339	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1	510516274	BXIPVCFPZWAJKG-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1	510973002	ZWFKQBYVJNUOLE-UHFFFAOYSA-N	418.324	5.045	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	510984654	PLWVFPLGWLTCGI-UHFFFAOYSA-N	418.419	5.555	30	20	HKED	
N#CC1(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCCC1	512956943	IKWZZLOJJQSERN-UHFFFAOYSA-N	415.415	5.370	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	514120277	HJSPPKMCKJEQSH-ZJSXRUAMSA-N	408.517	5.380	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N	514721452	LRXCUKDECCHKNW-UHFFFAOYSA-N	405.523	5.133	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2ccc(Cl)cc2c1C	515195584	MYCMJGHTLDQQPQ-UHFFFAOYSA-N	417.852	6.014	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1	518141482	UEMYXUDNIQBYPZ-OAHLLOKOSA-N	424.501	5.089	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(Cc2ccc(F)cc2)n1	518660953	MANVWXUNSJHGDF-CQSZACIVSA-N	411.527	5.377	30	20	HKED	
CC(C)COc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	518668648	JKVKQCCVVHEREJ-UHFFFAOYSA-N	423.460	5.393	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1	521703948	AYRWBHVISAYRTD-FQEVSTJZSA-N	405.542	5.064	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2sccc2s1	521735162	ZKIPCASMDIPIOM-UHFFFAOYSA-N	412.483	6.240	30	20	HKED	
Cc1csc(CCCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1	524042557	KNCCYBUFTGVTFT-UHFFFAOYSA-N	406.511	5.260	30	20	HKED	
Cc1sc(NC(=O)CN(Cc2cccs2)Cc2cccs2)c(C#N)c1C	532746618	NSRKBIHSCXDUFR-UHFFFAOYSA-N	401.582	5.001	30	20	HKED	
C=C(C)COc1cc(CNc2cccc(NC(=O)c3cccs3)c2)ccc1OC	532890147	CCVWIRMAMFXYMF-UHFFFAOYSA-N	408.523	5.576	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1	533906164	FTEGIGRRAYTMDE-UHFFFAOYSA-N	420.534	5.146	30	20	HKED	
COCc1nc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1	533917389	ZGPDRQRXWQUJTD-KRWDZBQOSA-N	411.914	5.159	30	20	HKED	
N#CCCn1cc(CNCCCc2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1	537264470	NOUVLDATZYYIBE-UHFFFAOYSA-N	412.459	5.205	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1C1CCCC1	541353553	DASWCMPXQHUJBV-OAHLLOKOSA-N	411.456	5.186	30	20	HKED	
CN(CCc1ccccc1O)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	542431451	HEDHBQVTPPGHDG-UHFFFAOYSA-N	406.869	5.024	30	20	HKED	
CCCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1ccc(F)cc1)c1cccnc1	544400116	HAMWMTDJWJUXSY-JOCHJYFZSA-N	407.876	5.388	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)n1Cc1ccncc1	546563637	HDYKXVIRRDVEHZ-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Br)c1Cl	549086947	RYQJATHTWQKWAD-PBHICJAKSA-N	418.722	5.406	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(Cl)c(F)cc2Cl)c1C	551365819	UVUKKIPBHKPXTD-UHFFFAOYSA-N	403.244	5.059	30	20	HKED	
C=CCOc1ccc(CNC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc1	554417554	IVKLBZGLOCUPNN-UHFFFAOYSA-N	415.493	5.134	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)c1	558299631	PKBXDLZAFZKMQB-LJQANCHMSA-N	416.403	5.276	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3F)C3CC3)cc2)ccn1	572686331	FONOKJBLOWMFSH-UHFFFAOYSA-N	420.419	5.220	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)s1	582197113	MWQMSOGEKKBQOB-GOSISDBHSA-N	403.507	5.183	30	20	HKED	
N#Cc1ccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1	589308823	JNIGFGQXSSSVQB-VXGBXAGGSA-N	418.303	5.576	30	20	HKED	
COc1ccc(N(Cc2ccccc2)C(=O)CSCc2ccc(C#N)cc2)cc1	603731868	BVEACOIZGSLOET-UHFFFAOYSA-N	402.519	5.033	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)cn2)cc1	603764538	KSLGUKSMHZALJS-UHFFFAOYSA-N	424.460	5.362	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)no3)cn2)cc1	604528243	BMFFTTMRDJQANI-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1	605363508	FDCAKGOGXDNHCW-HNNXBMFYSA-N	406.898	5.447	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608110392	WIMKUEQJZLSCBE-XBFCOCLRSA-N	413.377	5.420	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)cn2)cc1	609139294	VZQUHXJIQHFLIT-DEOSSOPVSA-N	421.460	5.052	30	20	HKED	
COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	609435325	HEKDNLJHTKFVLF-MJGOQNOKSA-N	409.555	5.328	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4ccccc4)CCOCC3)cc2)cc1	609573080	ZHVYDXUTPWVJPP-UHFFFAOYSA-N	413.477	5.178	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1	609930260	XGFAZRCZPMSYSL-JTSKRJEESA-N	402.523	5.387	30	20	HKED	
C[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)c(F)c1	610224423	QFPGRFQWJJLFPU-AUUYWEPGSA-N	410.851	6.016	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@H](c1ccccc1)C2	610732571	BEWWUVYFJRBKFD-CJAUYULYSA-N	411.505	5.137	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(c3ccccn3)CC2)c1	611085650	LVQMAKYHCNLQNX-UHFFFAOYSA-N	417.896	5.419	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2C)c1	613407044	FINIRPOAAZRXGJ-MRXNPFEDSA-N	406.898	5.242	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccccc1	615397954	FXUUQKPYVRQJFA-HNNXBMFYSA-N	408.317	5.337	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3ccc(C#N)cc3C)CC2)n1	616880455	DKWMOLOEYWBMRH-UHFFFAOYSA-N	403.551	5.378	30	20	HKED	
O=C(CCOCC(F)(F)C(F)(F)F)N(CC1CC1)c1cccc(C(F)(F)F)c1	622606978	QJTYQFQZTOVYHP-UHFFFAOYSA-N	419.312	5.053	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F	678895265	MPOJAAYILQTDHA-GFCCVEGCSA-N	419.369	5.385	30	20	HKED	
COc1ccc(C(=O)/C=C\c2cccc(OCCCC#N)c2)cc1Br	726743604	NCAMQCJWDPTCEV-CLFYSBASSA-N	400.272	5.036	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)c3ccc(C)cc3)c3c(C)noc3n2)cc1	726940263	BVXBURHKBBEIGO-UHFFFAOYSA-N	410.477	5.376	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C2CC2)no1	727934060	FLEXRTUUONTUHJ-LEWJYISDSA-N	415.497	5.121	30	20	HKED	
C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(CCC#N)CC2CC2)c1=S	728901521	OYLSJSMEUSGBTM-LJQANCHMSA-N	417.582	5.274	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1	729651452	GKXPUKFLYUOJOY-IBGZPJMESA-N	413.905	5.196	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	731135804	KBTVYLJHTBRWAW-OFNKIYASSA-N	424.500	5.636	30	20	HKED	
N#C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(Cl)c(Cl)c1	731644429	QTSBOPTYOVMHIS-AWEZNQCLSA-N	404.080	5.060	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](O)c1ccc(F)cc1	732412940	FEKYIMWLGDIJIB-RFAUZJTJSA-N	424.316	5.107	30	20	HKED	
C=CCn1c(SCc2ncc(C(C)C)o2)nnc1-c1ccc(Br)cc1	733206857	DTKRJQQXALYTES-UHFFFAOYSA-N	419.348	5.297	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N	734738834	QTXYMSSDRGWASV-LSDHHAIUSA-N	410.470	5.201	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(OC(F)F)c(Cl)c1	735623596	OKKPBAWOZGAJTA-UHFFFAOYSA-N	409.889	5.420	30	20	HKED	
CCCN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	735913583	GNRBIIIKRHVARJ-INIZCTEOSA-N	411.477	5.425	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(c3cccs3)CCCCC2)c1	740062370	TXZWRYQBIQLGFY-IBGZPJMESA-N	411.571	5.130	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc2ccc(SC)cc2)cc1	741111470	PDYVJUWXHICQOC-QYWGDWMGSA-N	410.539	5.037	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C(C)(C)c2ccc3ccccc3c2)ccc1OC	741927944	CTUHVOWLZGRHFI-JOCHJYFZSA-N	416.521	5.123	30	20	HKED	
O=C(/C=C\c1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1)c1ccc2c(c1)COC2	742436996	PKCKKGLHECXDRW-WIZYTBDYSA-N	422.480	5.539	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1	742553541	CDVDZFXMSFLZQM-HJWRWDBZSA-N	408.552	5.011	30	20	HKED	
CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCc2cc(C#N)ccc2F)cc1	742733584	DTAGELYXMNLJBK-UHFFFAOYSA-N	421.497	5.065	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F	744025440	MJTYSTOMXCIYGY-MLGOLLRUSA-N	408.807	5.200	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036739	HTADSCGSPWEHCS-RHSMWYFYSA-N	414.452	6.199	30	20	HKED	
C[C@@]1(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCc2ccccc2C1	744073642	FDCZMQGNNAWZNK-QMHKHESXSA-N	408.473	5.460	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CC[C@H](c3ccccc3)[C@@H](CC)C2)c1=S	746384313	YHUPVIVWXBJFOF-UGKGYDQZSA-N	419.598	5.135	30	20	HKED	
N#Cc1cc(NC(=O)CSc2cc(Cl)ccc2Cl)c(Cl)c([N+](=O)[O-])c1	746480809	CPLJOVBRQWMIGF-UHFFFAOYSA-N	416.673	5.157	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1csc(-c2ccccc2)n1)C(=O)c1ccccc1	747127814	MDHHWHAYXQJBDH-KGENOOAVSA-N	411.486	5.110	30	20	HKED	
C=CCn1c(SCc2cscn2)nc2scc(-c3ccc(C)cc3)c2c1=O	748190043	CSEGHHZHQSTOBG-UHFFFAOYSA-N	411.577	5.368	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccsc1	749105728	XMZXEYLKZBTMOJ-DJWKRKHSSA-N	404.241	5.575	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1	750677810	ISYJHOAFNQNPQM-SWLSCSKDSA-N	406.898	5.122	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1	752109872	HRRMLKQEMRPXDC-UKILVPOCSA-N	420.553	5.002	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CCC(F)(F)F)cc2)cc1	752476893	FGSXAYZUAVVPBQ-MGPUTAFESA-N	416.443	5.656	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(N2CCCC2)c1	755775171	GNPCQLFYQWYAOX-FNZWTVRRSA-N	424.548	5.825	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2ccc(Br)c(Br)c2)cc1	757529337	LOCXLEGBFBZRBV-WAPJZHGLSA-N	421.088	5.010	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Oc3cc(C)c(C)cc3C2=O)cs1	759118290	USTNVINRQHBPLD-KEBDBYFISA-N	408.454	5.200	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2)cc1	761655991	NTTLUYMHZZQRBJ-QHCPKHFHSA-N	419.456	5.038	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(C)ccc2F)cs1	763292015	GHYNYCYHJJJDNZ-UXBLZVDNSA-N	414.889	5.825	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H]2c2cccc(C)c2C)c1=S	765031943	XVICLGYGRIBBEV-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1	767867531	CQSAMOHTLFTCLS-NRFANRHFSA-N	401.551	5.001	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	768112234	PIQYVDJOFQGXQW-QHCPKHFHSA-N	421.903	5.003	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1	789449219	DJDINIAVJHRNSQ-UHFFFAOYSA-N	420.601	5.395	30	20	HKED	
CC(C)CN(C(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1ccc(C#N)cc1	790773879	PNGJMUQSXKPVCW-UHFFFAOYSA-N	421.541	5.527	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1ccnn1C(C)C	794942160	JLLWFLSICNPDCM-HJWRWDBZSA-N	416.344	5.555	30	20	HKED	
COc1cccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1	796800244	WDMBNBTXGYCGKP-SFHVURJKSA-N	408.910	5.380	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC(F)(c3ccc(Cl)cc3)CC2)c1=S	799145582	DBOFSMWCGMJCTQ-UHFFFAOYSA-N	406.958	5.049	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1	802043530	FITXCRLNQFIWFT-SJLPKXTDSA-N	418.415	6.024	30	20	HKED	
C#C[C@@H](CCC)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	806210876	KYXGKZZFGURHII-HNNXBMFYSA-N	421.394	5.020	30	20	HKED	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NOCc2ccccc2)cs1	839421795	MWFHMDYHCDBJFT-UHFFFAOYSA-N	419.428	5.397	30	20	HKED	
CN(C)c1ccc(C#N)cc1CNc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	864039483	VOQCQHRRGYLIPQ-SANMLTNESA-N	424.548	5.214	30	20	HKED	
CN(C)c1ccc(C#N)cc1CNc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1	864041176	YQYUMCFMTKNULD-UHFFFAOYSA-N	424.976	5.294	30	20	HKED	
COc1cccc(-c2nc(/C=C\C(=O)c3ccc(NC(=O)NC(C)C)cc3)cs2)c1	915114150	FPEMOVZSEYUJBL-QXMHVHEDSA-N	421.522	5.245	30	20	HKED	
FC(F)(F)c1ccccc1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl	916334039	ZUAICNWFZIJGER-UHFFFAOYSA-N	417.243	5.442	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2c1C	916882767	CEBNKOUPHFQFHY-QGZVFWFLSA-N	413.449	5.061	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc2cc(Cl)ccc2s1	917047044	POKAQKFBVBEFBZ-QGZVFWFLSA-N	416.889	6.268	30	20	HKED	
CS(=O)(=O)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1	918154368	LHOBMBWWWYRMSY-CYVLTUHYSA-N	419.527	5.123	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	918492110	MFWYTYWYNCYXAS-IAQYHMDHSA-N	406.404	5.824	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccccc3F)n2)cc1	920142296	UTYLRCQOGWWKMP-INIZCTEOSA-N	407.495	5.180	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1coc(-c2ccc(Br)cc2)n1	920486208	TWYGESXZNJECKS-UHFFFAOYSA-N	423.213	5.256	30	20	HKED	
N#CC1(C(=O)OCc2csc(-c3ccc(Br)cc3)n2)CCCCC1	920673741	ZDPGMCHNOITFLN-UHFFFAOYSA-N	405.317	5.090	30	20	HKED	
C=C(Br)CNC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1	921043213	KXQRVYRBPVWVET-UHFFFAOYSA-N	407.377	5.204	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)N(C)Cc1nc(O)c2c(-c3ccccc3)csc2n1	1171400246	VITUKXABEQZYAG-HNNXBMFYSA-N	400.507	5.129	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1	6071533	NDHRLVNOAUXABI-ZDUSSCGKSA-N	401.894	5.287	30	20	HKED	
CSCc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	41549265	BZQJMRYEZXCRCW-AWEZNQCLSA-N	406.454	5.668	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	44050996	MHGRTCHQAUCXIL-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
CCOc1ccccc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	65447761	OVCRQBQOGUPKLR-UHFFFAOYSA-N	415.493	5.052	30	20	HKED	
CC(C)(C)c1noc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1	107877129	LDYLIDWNDDCVLL-GOSISDBHSA-N	422.916	5.247	30	20	HKED	
Cn1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c2ccccc21	108603772	LMAPEGAMKVJTHZ-UHFFFAOYSA-N	415.880	5.535	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12	117207374	COKNOKQYSAMROM-UHFFFAOYSA-N	406.511	5.117	30	20	HKED	
CCc1cc(C#N)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1	195535774	PLPPNNAYYPTVJV-UHFFFAOYSA-N	422.350	5.237	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Br)c(F)cc1F)c1ccc(Cl)c(Cl)c1	428804392	TXTUCBHDYBUZLF-AWEZNQCLSA-N	420.040	5.029	30	20	HKED	
N#CCCC[C@H](NC(=O)NCCOCc1ccc(Cl)cc1Cl)c1ccccc1	431465609	PGPHWJRFYXFGKO-FQEVSTJZSA-N	420.340	5.244	30	20	HKED	
CCC(CC)n1nccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	431943492	WAEDFMAKKKJKDC-UHFFFAOYSA-N	402.498	5.256	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)CCCC(=O)Nc3ccccc3C#N)n2)c(C)c1	432699259	NLSFDCCYLCFAHI-UHFFFAOYSA-N	418.522	5.046	30	20	HKED	
C=CCC(C)(C)CNC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	433153885	RAVDSOAOYINBGP-UHFFFAOYSA-N	421.328	5.365	30	20	HKED	
CN(C(=O)c1occc1COc1cccc(C#N)c1)c1nc2cccc(Cl)c2s1	436407304	ITNRJPNOGZURIK-UHFFFAOYSA-N	423.881	5.270	30	20	HKED	
COC[C@@H](C)Nc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	437620078	YRPUVCSPPPIYSK-QGZVFWFLSA-N	400.482	5.001	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2ccc(C#N)c(Cl)c2)cs1	438903688	WSEFULGXIHLEFI-UHFFFAOYSA-N	418.305	5.585	30	20	HKED	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C)c3cccc(C#N)c3)n2Cc2ccco2)C1	442906184	WSRVSERYWBCKHV-KSZLIROESA-N	421.570	5.127	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H]2Cc2ccccc2)cc1	443827024	MKNCFDUIFFIMQX-HSZRJFAPSA-N	411.505	5.181	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1	443937981	IQPUQGVJKNVSOV-CVEARBPZSA-N	415.946	5.419	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NCC(=O)N(CCC#N)c1cccc(Cl)c1	444783422	KVORTJBAXBSZLV-IBGZPJMESA-N	423.866	5.178	30	20	HKED	
C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc(C)s1	460776100	BNXOZCVWEYNHMI-PXNSSMCTSA-N	422.554	5.078	30	20	HKED	
C=CCN(Cc1cccs1)c1nnc(-c2ncccc2C)n1Cc1cccs1	461297225	BORPACYOCXPJMG-UHFFFAOYSA-N	407.568	5.012	30	20	HKED	
C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1	465516334	ARYSIOOKGICMSU-QGZVFWFLSA-N	423.969	5.616	30	20	HKED	
Cc1cc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)sc1-c1ccc(F)cc1	468522521	IHNKKWWQDANAJQ-UHFFFAOYSA-N	413.358	5.820	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3csc(-c4ccc(F)cc4)n3)ccc21	468809518	CJRJKGSDHZPSRI-UHFFFAOYSA-N	420.513	5.144	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21	469953392	OSRMSAUSNAUVTQ-UHFFFAOYSA-N	423.516	5.040	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H](c1ccccc1)C2	470403412	JNQUSQQVBPYKLI-QHCPKHFHSA-N	417.896	5.552	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	471251758	RZFLTIABMGEZCW-MLGOLLRUSA-N	423.822	5.809	30	20	HKED	
CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N)CCC2	478782528	BDWVKENOUFTUMH-RHSMWYFYSA-N	414.600	5.499	30	20	HKED	
Cc1ccc(-c2nnc(S[C@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)cc1	481363594	KVTSNSWZSOAAIQ-QGZVFWFLSA-N	400.507	5.620	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@H](C#N)c1nccc2ccccc12	483204742	SPZKEMVRXHOIHW-GOSISDBHSA-N	420.394	5.442	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1cnc2ccccc2n1	483231100	QFGYPMMMKQQUOR-GOSISDBHSA-N	408.392	5.067	30	20	HKED	
CCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1ccccc1Cl	485317315	KUZJVMNZYAAPOI-SFHVURJKSA-N	407.905	5.255	30	20	HKED	
Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	487971827	AQFJEUYCWRLAFN-IBGZPJMESA-N	402.469	5.002	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	488272902	ODJKILVDXUCJHN-PKTZIBPZSA-N	403.526	5.236	30	20	HKED	
C=CCn1c(SCc2nc(Cc3ccccc3)no2)nnc1-c1cccc(Cl)c1	489635484	DXMSGIULTHQJQL-UHFFFAOYSA-N	423.929	5.051	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(Cc4ccccc4)no3)o2)cc1	489803800	FGNYWZCLTHSSIG-HNNXBMFYSA-N	420.494	5.129	30	20	HKED	
CCn1c(NC(=O)c2occc2CSc2ccccc2)nc2cc(C#N)ccc21	490816970	FWBCDNGAGGDAQG-UHFFFAOYSA-N	402.479	5.065	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1	499031684	LYKSLROQPPTXTJ-OAQYLSRUSA-N	411.958	5.592	30	20	HKED	
N#Cc1cn(Cc2ccc(OCc3ccc(F)cc3)cc2)c2ccc(Cl)cc2c1=O	502832297	HMNNLMXUCXUCBE-UHFFFAOYSA-N	418.855	5.293	30	20	HKED	
CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	503224638	HHWFYCBZVPPKEQ-IERDGZPVSA-N	415.990	6.453	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	505336439	BUWINKOBBVPUSR-YPAWHYETSA-N	402.519	5.120	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1	508412073	NJXQRLPJZVMAFK-JOCHJYFZSA-N	400.503	5.104	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cccc4)c(F)c3)n2)cc1	511765060	LMHDNYBWPAXULL-GOSISDBHSA-N	417.465	5.239	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1)C1CC1	513686507	AKCFPKQLUCISTC-ZDUSSCGKSA-N	410.930	5.773	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)o3)n2)cc1	514219750	VDFOFCWMPDDNSY-GOSISDBHSA-N	402.450	6.008	30	20	HKED	
CC(=O)c1cccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	514818097	HEPFRAOZPJJEQV-UHFFFAOYSA-N	404.853	5.137	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc(-c2ccccc2)cs1	518516748	VYDVEMZITQMLKS-FQEVSTJZSA-N	411.486	5.274	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1	520827584	OHYAMRMDQLWCBU-ZIAGYGMSSA-N	419.344	5.107	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCc2ccc(F)cc21	521608729	BMGCRUJCVOZYJV-IBGZPJMESA-N	421.285	5.112	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c12	522529162	DVDMSRTYNHRTCC-MRXNPFEDSA-N	422.366	5.102	30	20	HKED	
C=CC[C@@H](C)NC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	523949008	GUDVVFWGVZIKAV-GOSISDBHSA-N	422.960	5.358	30	20	HKED	
Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c(Br)s1	532364410	IXFHXNDMKSCSJP-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
C=CCC[C@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccc(C(F)(F)F)cc1	532738031	DUTAMNYMIVSLHZ-SFHVURJKSA-N	420.406	5.167	30	20	HKED	
C=C(C)[C@H](CC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1)OCC	534486081	FVKOVGDHQSHJMQ-SFHVURJKSA-N	422.575	5.978	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CN(Cc1ccccc1)c1ccccc1	534594140	UUQDCBGPPXUHPR-UHFFFAOYSA-N	401.535	5.338	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](c1cccnc1)C1CC1)c1ccc(C(F)(F)F)cc1	534702285	PBPOKOAKPGZMNW-PMACEKPBSA-N	403.448	5.558	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@H]1c1cc(Br)ccc1OC)c1ccccc1	536207618	BKHUHOFPODEGDS-UZLBHIALSA-N	414.343	5.481	30	20	HKED	
Cc1ccc([C@H](N[C@H](C)c2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1	537305076	BDNBJVGFNORCMK-KBMIEXCESA-N	418.562	5.019	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	538028599	JDUISKFSOSVDOJ-UHFFFAOYSA-N	408.461	5.510	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3ccccc3)[C@@H]3CCCc4ccccc43)o2)cc1	539325005	LEGCCFYRTUTCKL-RSXGOPAZSA-N	420.516	5.559	30	20	HKED	
COc1cc(CN[C@@H](c2cccs2)C2CC2)ccc1OCc1cccc(C#N)c1	541581397	FVVKDJXYMNURED-XMMPIXPASA-N	404.535	5.448	30	20	HKED	
C[C@@H](N[C@H](Cc1ccccc1)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	541593454	KDAFDEAUIYIZMV-DNVCBOLYSA-N	421.591	5.071	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C	542422636	VVGOIARVZIFARX-UHFFFAOYSA-N	413.481	5.014	30	20	HKED	
CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542933043	HZHYIAOBLRUQPM-HKUYNNGSSA-N	412.489	5.073	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCC(C)(C)CCC#N)cc12	553752374	NPWCPPNMAJPAEE-UHFFFAOYSA-N	400.935	5.109	30	20	HKED	
Cc1cc(C#N)cnc1-c1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	559967462	SIIVFJGQBKALNY-UHFFFAOYSA-N	424.247	5.473	30	20	HKED	
COCC(C)(C)CCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	562148153	ASERYEYADQCRHQ-UHFFFAOYSA-N	409.530	5.020	30	20	HKED	
CCC[C@H](N[C@H](CC)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1	562495804	OPPOKOGTIKCOND-RPWUZVMVSA-N	404.558	5.007	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1	574832130	QUVBJQJBPNMBLH-QRWLVFNGSA-N	416.443	5.109	30	20	HKED	
C=CCN(C(=O)[C@H](C)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	577674659	QOKWVFZFVDAVIY-MRXNPFEDSA-N	407.495	5.116	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1	603527011	DSWYFZBYPYQSOV-UHFFFAOYSA-N	418.518	5.109	30	20	HKED	
Cc1ccc(C)c(OCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	604004025	WAAISVTZRGNTTF-UHFFFAOYSA-N	414.505	5.356	30	20	HKED	
Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1Sc1ccccc1C#N	608882602	ZHXGNRHUOFGARS-UHFFFAOYSA-N	411.530	5.472	30	20	HKED	
Cc1csc(CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)n1	608908846	QZNLXKUNSJVDKJ-UHFFFAOYSA-N	407.564	5.227	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CSCc3cccnc3)cc2Cl)c1	609063282	WDRREJVSUXCCGT-UHFFFAOYSA-N	423.925	5.058	30	20	HKED	
COCc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1F	609346601	SVOLXMQKMLVESL-UHFFFAOYSA-N	420.509	5.066	30	20	HKED	
N#Cc1ccc(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c(F)c1	609513135	ABHZVAXQQGJNFR-UHFFFAOYSA-N	404.420	5.043	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)C1	612370061	PHBJYWFUPLYDKS-SEPOPDPSSA-N	413.546	5.549	30	20	HKED	
Cc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2ccc(F)cc12	618668561	SSSXLZVLVDNMAA-NXEZZACHSA-N	413.358	5.552	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	669727172	NWFNTGQLGRRENJ-KBPBESRZSA-N	408.386	5.836	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C2CC2)[C@H](C)c2ccccc2)cc1	672649157	UNQBCXIWCGGZRQ-LJQANCHMSA-N	403.526	5.258	30	20	HKED	
O=C(Nc1ccc(CCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674680398	YRPJRNMVNRTPAD-VXGBXAGGSA-N	422.291	5.386	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C	726289145	VCKNQAAPGQGRLB-UHFFFAOYSA-N	402.585	5.100	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(C)n1[C@@H](C)c1ccccc1	730418343	URKSJQQOBJRIJH-YWZLYKJASA-N	417.509	5.953	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)NCCc1ccc(Cl)cc1Cl	730954777	KKGOEUSAOXBXEG-ZDUSSCGKSA-N	424.422	5.774	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCSC3=Nc3ccccc3)cc2)nc1	731956936	MUSNFPGOXGCUHJ-UHFFFAOYSA-N	414.490	5.012	30	20	HKED	
Cc1cccc(COc2c(C)cc(C=Nn3c(C)nc4ccccc4c3=O)cc2C)c1	734362354	OBLVDEZZDFBBQT-UHFFFAOYSA-N	411.505	5.091	30	20	HKED	
Cc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	734963379	HALGKKLANDUZPI-KBXCAEBGSA-N	402.466	5.151	30	20	HKED	
COCC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	735613550	AXLQKRKRZAWASL-UHFFFAOYSA-N	401.310	5.058	30	20	HKED	
N#CCCn1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)c(-c2ccccc2)n1	740014823	VOOCRHAXZCRQJP-UHFFFAOYSA-N	423.545	5.354	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)c(Cl)c1	740825326	JKOKRYJNRBVOMM-OAQYLSRUSA-N	405.926	5.279	30	20	HKED	
C=CCOc1cccc(NC(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1	743122944	XJSKHGBWDNCXDW-INIZCTEOSA-N	411.502	5.481	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN(C)[C@H]2CC[C@@H](SCC)C2)c1=S	743398363	DNATVKUTLYFUHG-RBUKOAKNSA-N	402.633	5.139	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)s1	744036747	HYUUJGXZEIYTEW-AAEUAGOBSA-N	417.353	5.614	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(COC(=O)c2ccccc2OCC#N)n1)c1ccccc1	744290481	ANBNHFCZNDREQH-INIZCTEOSA-N	422.868	5.134	30	20	HKED	
COCCOc1ccc(Cl)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	748698145	CEULTOXSLITYIO-QFIPXVFZSA-N	420.896	5.273	30	20	HKED	
N#Cc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)s1	748999600	RWNLWSZHJOYMIS-QPEQYQDCSA-N	407.307	5.114	30	20	HKED	
C=CCC[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1	749942988	FWBDAKWEJDGGJQ-RBUKOAKNSA-N	403.400	5.131	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)c1ccc(Cl)s1	750548918	QRKKDXOCXOZKNT-QWHCGFSZSA-N	422.959	5.081	30	20	HKED	
O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1)c1ccc(Cl)nc1	759082474	FIRORCHEDIKSHW-OZDSWYPASA-N	409.272	5.576	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccnn2Cc2cccc(Cl)c2Cl)cc1	763418491	LTUVDMPVPCUGJH-AWEZNQCLSA-N	401.297	5.141	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)C1	766622928	KSGICYHAVIJYCG-KURKYZTESA-N	404.938	5.143	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	767694221	ARZXDBWEXLRGMN-OAHLLOKOSA-N	420.962	5.743	30	20	HKED	
CC1(C)OCc2cc(CNc3ccc(OCc4cccc(C#N)c4)cc3)ccc2O1	769547238	JUGUMBBWIWALQL-UHFFFAOYSA-N	400.478	5.394	30	20	HKED	
C#CC[C@H](NC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1)c1ccccc1	772034938	SZVHKUKLRGLXMB-SFHVURJKSA-N	407.564	5.012	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccc(F)c(F)c1	775602251	SFKYGSVFUMQFHU-QFIPXVFZSA-N	409.436	5.378	30	20	HKED	
CC(C)Oc1cc(Br)cc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1	780019694	RFYMSNRXTYZNEQ-CYBMUJFWSA-N	418.291	5.171	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12	780158055	JURVMAGJWFCOBB-AWEZNQCLSA-N	418.497	5.232	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	780158455	BDMOWMBRYCYJJG-XJKVJRSZSA-N	417.347	5.040	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3O[C@H](C)C#N)cccc2c1=O	780166589	SJHQADCSSXNRAN-MRXNPFEDSA-N	424.456	5.312	30	20	HKED	
N#CC1(COC(=O)c2csc(-c3cc(Br)cs3)n2)CCCCC1	780488668	PHHQFVDLIQCCML-UHFFFAOYSA-N	411.346	5.265	30	20	HKED	
N#Cc1ccc(CN[C@@H](Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)nc1	783293380	GICFZIFUCHHYEO-NRFANRHFSA-N	400.284	5.473	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc12	786315097	WRKFZDALXKAMQU-UZLBHIALSA-N	401.510	5.134	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1)c1ccccc1	796793369	PGVYAQOVTHATKQ-MBSDFSHPSA-N	424.422	5.821	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cnn(C3CCCC3)c2)cs1	799895942	LITOLKRLXVEXFL-DHZHZOJOSA-N	424.501	5.175	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1c(F)cccc1Cl	807971166	KVZQBZVZWWYLPY-UHFFFAOYSA-N	409.774	5.186	30	20	HKED	
C#C[C@@H](NC(=O)c1ccccc1SCc1c(C)noc1C)c1ccc(Cl)cc1	811949124	PYLIDMJDVCSGED-HXUWFJFHSA-N	410.926	5.341	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3cnn(C(C)C)c3n2)cc1	821794892	PPWNPRZPKKGVEG-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(Cl)cc1	916272590	CUEKXIPHLQSHPQ-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2ccccc2s1	916846474	WPPNYUVYOYJPNQ-PZJWPPBQSA-N	424.481	5.241	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl	916905297	BYKKMVIBKFRKJT-INIZCTEOSA-N	424.953	5.949	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Oc3ccccc3)c3ccccc3)n2)cc1	916975021	UZFXZDHWKZIWMG-WIOPSUGQSA-N	424.525	6.115	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1	917561627	HYRSJRKELLPEEV-FLIBITNWSA-N	421.478	5.249	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	920804539	UQKYSEZCRYLMIE-MRXNPFEDSA-N	412.461	5.432	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1	1785802026	QIURLLMUEMDPQB-XLIONFOSSA-N	416.512	5.324	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CSc4ccc(C)cc4)CCC3)cc2)C1	1785807935	WTUKXIOFGVHXBS-UHFFFAOYSA-N	420.578	5.187	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC)cc3)cc2)CCC1	1787999813	ZVRITNXFMGOEGO-UHFFFAOYSA-N	419.569	5.468	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1	1790870275	IDEWJQPYRXPGOR-UHFFFAOYSA-N	419.912	5.212	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1	1828829317	GVRBNGZMXIOSLF-BUZMGHMJSA-N	414.634	5.201	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(F)c2)nnc1-c1ccc(Cl)cc1	7773397	VSLUUQFFCCDEQW-ZDUSSCGKSA-N	416.909	5.043	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)s1	22695865	PDXZYSLBTPIIEJ-UHFFFAOYSA-O	423.627	6.001	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1	24729784	CTWHIHQGRDDJOI-FQEVSTJZSA-N	400.507	5.371	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1	26384019	KZNYSRJDFCOBMY-UHFFFAOYSA-N	415.543	5.907	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCSc2c(F)cccc21	28044835	LTUBAYPMKDDYEY-LJQANCHMSA-N	420.534	5.815	30	20	HKED	
CCN(C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)[C@@H](C)c1ccc(C#N)cc1	45500976	CFPVYVSBMFGWIK-SFHVURJKSA-N	416.525	5.274	30	20	HKED	
C=C(C)COc1cc(CNCC2(c3ccc(Cl)cc3)CCOCC2)ccc1OC	60949758	UGYVDSNALBDOQE-UHFFFAOYSA-N	415.961	5.142	30	20	HKED	
CCOc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(C(F)(F)F)c1	64849233	LTYJJBGJSRYPFF-UHFFFAOYSA-N	423.460	5.027	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	236899307	DEETWLOMKISIBJ-QGZVFWFLSA-N	407.495	5.294	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	303495731	LLZKULAXPAFTJF-FGZHOGPDSA-N	418.443	5.466	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(c2ccc(C(F)(F)F)c(C#N)n2)C3)cs1	409724189	WQWXFSXKASHECG-UHFFFAOYSA-N	406.458	5.028	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	410190694	KFDSDEITYUGOCN-UHFFFAOYSA-N	422.488	5.506	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)c1ccccc1	433280018	XYBXMCLNOXQCSD-DEOSSOPVSA-N	420.557	5.108	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CC[C@H](CC(F)(F)F)C1	434162389	HYYUOJIBWUIWLV-SKDRFNHKSA-N	422.291	5.293	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCC(C(F)(F)F)CC1	435556944	GPGGROOTOCMDAE-UHFFFAOYSA-N	403.404	5.361	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1	436405729	GIQDTQDNGWIDTP-UHFFFAOYSA-N	400.453	5.255	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)Cc1c(C)noc1C)c1ccc(C(F)(F)F)cc1	440841342	IEQIXEZZBLTKNZ-DJJJIMSYSA-N	409.452	5.248	30	20	HKED	
C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cc1nnc(-c2cccc(C#N)c2)o1	441063919	PAGFZAUGEAJJMV-SIBVEZHUSA-N	420.516	5.187	30	20	HKED	
C[C@H](Nc1cccc(CCC(F)(F)F)c1)C(=O)N(CCC#N)c1ccc(F)cc1	441758936	AKZWBLUFBSHEGU-HNNXBMFYSA-N	407.411	5.068	30	20	HKED	
COCc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)sc2cccc(F)c12	443884797	XZRDQLDWBKUKHD-UHFFFAOYSA-N	408.376	5.330	30	20	HKED	
N#Cc1ccc(SCC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cc1	460651492	FHWUADVWSWSNBY-UHFFFAOYSA-N	410.445	5.037	30	20	HKED	
C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1	460798863	NKYSGHKBVNFMQJ-FQEVSTJZSA-N	410.493	5.050	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1SCCc2sccc21	463142269	PSODDTKZGWCSTP-NRFANRHFSA-N	406.532	5.690	30	20	HKED	
CN(C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463567740	GKVJBUGKFXQLPD-YPMHNXCESA-N	416.337	5.352	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2cc(Br)ccc2c1)c1cc(C(F)(F)F)ccn1	464415839	BRTRFSJIEZOUJA-MRXNPFEDSA-N	419.200	5.506	30	20	HKED	
N#C[C@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1cc(C(F)(F)F)ccn1	464420002	OSNASSBSUHUMJM-INIZCTEOSA-N	407.351	5.399	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3F)cc2)nc1	466572844	LBJPABKOTDYWTJ-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
N#Cc1cc(CNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)ccc1F	467757386	DHPMCOZGENBCGM-UHFFFAOYSA-N	403.335	5.174	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1	469159786	YQGOJYLTTRAAEK-LBPRGKRZSA-N	400.265	5.353	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CNc2ccc(CC(F)(F)F)cc2)ccc1Cl	470525497	HYQBEMJZOKOASS-UHFFFAOYSA-N	409.839	5.112	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	473822212	HIMBVFSEUJGFMQ-UHFFFAOYSA-N	424.500	5.539	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1	475663738	DWCAJOLGQZJGKJ-QUCCMNQESA-N	419.525	5.530	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)C[C@H](CC#N)c3ccccc3)s2)cc1	476061881	OBSSMXFLQWTAOQ-JXFKEZNVSA-N	419.550	5.392	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1	476062113	NYAIBCHIRIJBPD-PMERELPUSA-N	416.546	5.189	30	20	HKED	
COc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(OCc2ccccc2)c1	476910873	UNWRFOBHLWCGDB-NRFANRHFSA-N	400.478	5.300	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCOCC(F)(F)C(F)F)C1CC1	478094640	YFNDZWULTGLLCA-NSHDSACASA-N	415.349	5.065	30	20	HKED	
COc1ccc(-c2ccncc2)cc1CNc1ncc(Cc2ccc(C#N)cc2)s1	478631335	KVDVCEDSIFTXAA-UHFFFAOYSA-N	412.518	5.288	30	20	HKED	
C[C@@H](NCc1cc(Br)ccc1Br)c1ccc(C#N)cc1F	480668514	ITRILCHGWNQASI-SNVBAGLBSA-N	412.100	5.073	30	20	HKED	
C=CCn1c(SCc2noc(Cc3ccccc3C)n2)nnc1-c1ccccc1C	481365644	AUOTXYQDVSFCBC-UHFFFAOYSA-N	417.538	5.014	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	481858272	VFGIJMRGTLAQQJ-UHFFFAOYSA-N	423.441	5.245	30	20	HKED	
CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1sc2c(c1C#N)CCCCC2	482237002	BEFRXWWAMQGYEI-UHFFFAOYSA-N	420.538	5.115	30	20	HKED	
CCCCn1ncc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1C(C)C	482750502	CHJPTPPKDULEEG-UHFFFAOYSA-N	403.486	5.118	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2)c1	483217284	DHVGKOLASVGHCC-DEOSSOPVSA-N	403.441	5.176	30	20	HKED	
C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1	483617814	COEBXTWQYXANJK-IFXJQAMLSA-N	412.415	5.210	30	20	HKED	
C[C@@H]1CCSCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	483716857	UBUCNKSEJGCTBA-OAHLLOKOSA-N	415.946	5.150	30	20	HKED	
C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2ncsc2c1	485828601	ACLNXSNAFCDCKI-CQSZACIVSA-N	424.595	5.178	30	20	HKED	
CCCN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCCc2cccnc21	487815917	IDGABYFQZSUMHS-SFHVURJKSA-N	413.319	5.037	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1cccc(Cl)c1Cl	488817634	PAILOGRRFCOYGC-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc3ccccc23)o1	488879066	RIBQLYWCGAFGBI-UHFFFAOYSA-N	420.881	5.146	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1	489005706	DIGMDXCPUUQEEX-FUFSCUOVSA-N	403.547	5.434	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(C)cc1	489661794	ZXWRPHPSDFNDBY-KRWDZBQOSA-N	417.538	5.651	30	20	HKED	
CCC(C)(C)OCc1cccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1C	490375417	UDRVBZWTUVTMIA-UHFFFAOYSA-N	402.542	5.585	30	20	HKED	
C=CCOc1ccc(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)cc2F)cc1	496515254	KVNZPXPXVVVZLU-HSZRJFAPSA-N	408.448	5.176	30	20	HKED	
COc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc(OC)c1C(C)C	496687780	FLZDKOYJFALJKY-UHFFFAOYSA-N	420.465	5.123	30	20	HKED	
C=C[C@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1)c1ccccc1	501833384	XLBSXFQVCYEEQJ-GCJKJVERSA-N	419.500	5.679	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC[C@H]2C(F)F)cc1	503084010	JWCIDTTZRUDBLE-KRWDZBQOSA-N	401.413	5.011	30	20	HKED	
CC(C)(C)c1ncsc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	505355411	ICMQIJOXJMQMOA-IBGZPJMESA-N	405.523	5.014	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1)c1ccccc1	505805117	LPBJGQVVSOIHFT-BXKMTCNYSA-N	407.514	5.060	30	20	HKED	
COc1ccc(CNc2cc(F)c(Br)c(F)c2)cc1OCCCC#N	508452200	MHIOVCOUJYDZSL-UHFFFAOYSA-N	411.246	5.031	30	20	HKED	
CCN(C(=O)CCSc1ncnc2sc(C)c(C)c12)[C@@H](C)c1ccc(C#N)cc1	509583035	JIVQFJCXHFWLIY-HNNXBMFYSA-N	424.595	5.272	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509915920	ZALPLBSYPIIGNO-UHFFFAOYSA-N	411.505	5.552	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	511662133	HLKQKYUKWVXZML-IBGZPJMESA-N	417.534	5.063	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	512533084	ZJMWREXIAXRBFC-OAQYLSRUSA-N	401.470	5.060	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(F)c2ccccc12	515250675	ZZFNBPSQQVYJEC-IAGOWNOFSA-N	421.541	5.662	30	20	HKED	
CCSc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cn1	517461513	KHRBWWPMOUTTHO-UHFFFAOYSA-N	411.474	5.470	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	519063150	WABGXXCYZSGJCV-DEOSSOPVSA-N	417.940	5.921	30	20	HKED	
N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3ccc(C(F)F)cc3)c2)cc1	519719431	BLYGFFMZHAWIBG-UHFFFAOYSA-N	400.406	5.089	30	20	HKED	
Cc1nc(-c2ccccc2)sc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	520337910	MTNDPUIHQJTKKK-UHFFFAOYSA-N	417.534	5.110	30	20	HKED	
COc1cc(CN[C@H](C)c2c(F)cccc2OC)ccc1OCc1cccc(C#N)c1	538260202	ZYIIRHYEWRQSNA-QGZVFWFLSA-N	420.484	5.144	30	20	HKED	
Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(-c2ccccc2C#N)cc1	539216566	FYUYEYICHCDEQA-QGZVFWFLSA-N	410.546	5.903	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(C(=O)c2ccccc2)CC1	539761823	RKKMGPKONZQJAJ-UHFFFAOYSA-N	410.473	5.086	30	20	HKED	
Cc1cc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1	541195173	XYEJGYPNUIGYPL-GFCCVEGCSA-N	406.248	5.414	30	20	HKED	
Cc1cc(C(C)(C)C)cc(C)c1Cc1noc(CCc2c(C)nn(CCC#N)c2C)n1	545561249	YGTDRZRLCFSDHT-UHFFFAOYSA-N	419.573	5.087	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Oc2ccccc2Cl)nc1	557602600	LMWBFBOLYBPTOV-UHFFFAOYSA-N	424.932	5.523	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(SC2CCCC2)cc1	558276757	FIIVTUACYNERNL-UHFFFAOYSA-N	400.544	5.417	30	20	HKED	
CC1(C(=O)N2CCC[C@H](c3ccccc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1	564435319	HYZIREYMSYGMBR-FQEVSTJZSA-N	421.972	5.224	30	20	HKED	
Cn1c(CNc2ccc(Oc3ccnc(C#N)c3)cc2)nc2cc(C(F)(F)F)ccc21	579168334	DSPYBCMVSHIYHU-UHFFFAOYSA-N	423.398	5.263	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)Cc2noc(C[C@H](CC#N)c3ccccc3)n2)cc1	589146524	FLHXUNKRHOZPLF-PXNSSMCTSA-N	402.498	5.004	30	20	HKED	
N#CC[C@H](Cc1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1)c1ccccc1	589155114	GYHWKIWKWXHCQY-OAHLLOKOSA-N	424.382	5.650	30	20	HKED	
O=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1ccc(F)cc1C(F)(F)F	590335039	MBDWOEXKYBKBKF-UHFFFAOYSA-N	410.289	5.107	30	20	HKED	
Cc1ccc(-c2nc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cs2)o1	603623361	TUHNRODVOOVCQK-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1	603971107	QHNYIOQQGLZMGZ-UHFFFAOYSA-N	407.297	5.474	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)c(F)c1	604009694	MMXMBJNZMYERNZ-OAQYLSRUSA-N	413.265	5.478	30	20	HKED	
C=CCN(C(=O)c1cccc(Oc2nccs2)c1)c1nc(-c2ccccc2)cs1	605614792	ONQQRPQQYFIORB-UHFFFAOYSA-N	419.531	5.892	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cs1	608918922	URGVGXMBZIDKKR-UHFFFAOYSA-N	424.595	5.214	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CCCCC2)cc1	608920659	XLIRZOUDXKJBCQ-UHFFFAOYSA-N	405.542	5.390	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)cn2)c1	609139767	WADBIMVCFFZCNZ-DEOSSOPVSA-N	421.460	5.052	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)ccc21	609651533	HKTSFUWXMMXGTC-UHFFFAOYSA-N	417.435	5.316	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ncccc2OC(F)F)c1	609724145	XGEZHKVRFUKDSP-UHFFFAOYSA-N	415.783	5.253	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1	609930307	ZNQNJBMCKKHXBN-HTAPYJJXSA-N	402.523	5.244	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1cccc(C#N)c1	610089432	VMDBYRJSCNDXSV-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)cc1	610092530	NSIUXOKEXAKBNA-JOCHJYFZSA-N	405.885	5.326	30	20	HKED	
N#C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc(Cl)cc1	611185897	ADHMTZGXQDALRE-CQSZACIVSA-N	403.841	5.396	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3Br)o2)c(C)c1	611492183	NIYHKFZSXLMBSF-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
CC(C)(C#N)c1ccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1	614318617	SYRYRUPCHWYOPW-DEOSSOPVSA-N	412.512	5.508	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(Br)c(Cl)c1	615759166	QKGWNJBVOQHRRU-GFCCVEGCSA-N	423.763	5.535	30	20	HKED	
Fc1cc(C(F)(F)F)c(F)cc1CN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	672544614	DCJJUXUDXJGLOL-IUCAKERBSA-N	401.219	5.156	30	20	HKED	
CC(C)n1ncc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1-c1ccccc1	683106168	UAIKQBROKKLTER-INIZCTEOSA-N	404.470	5.370	30	20	HKED	
CCOc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	727978940	PMTHGXTUEUMZTR-UHFFFAOYSA-N	417.534	5.653	30	20	HKED	
Clc1ccc(-c2nc3c(s2)C(=NNc2ncnc4sccc24)CCC3)cc1	728425912	OYHVIZDQJGFDRH-UHFFFAOYSA-N	411.943	5.621	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(O)c(F)c2)cs1	728438785	OGOQDOWEIJXDSA-UITAMQMPSA-N	416.861	5.222	30	20	HKED	
COc1ccc2c(c1)CCCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	730166695	QDKWMINQDYDXHX-UHFFFAOYSA-N	402.425	5.091	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCCc2ccccc21)C(=O)Nc1ccc(SC(F)F)cc1	731135606	FSZBGXOXEBQEIU-HNAYVOBHSA-N	414.477	5.159	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)ccc1OC	733656066	GVYYYVHJOYCZMT-VXKWHMMOSA-N	421.541	5.040	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)c1	733775358	SJNZYRXFONKGNO-OAQYLSRUSA-N	402.469	5.412	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cs1)C1CC1	734305870	GYBBCKIWGFMLLE-ZROIWOOFSA-N	418.518	5.134	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2C[C@H](c3ccccc3)C[C@H]2C)c1=S	734477605	RSWGUELLLXCRAA-DENIHFKCSA-N	404.583	5.026	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	734709089	ZIEWDMHMKAHMHO-QGZVFWFLSA-N	414.461	5.014	30	20	HKED	
O=[S@](Cc1ccccc1)Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1	734753363	TUFSAVDWZBPSRO-HHHXNRCGSA-N	418.345	5.899	30	20	HKED	
C=CC[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccncc1	735055767	PEOKJPADYXFLMA-NRFANRHFSA-N	403.869	5.446	30	20	HKED	
N#Cc1ccc(-c2cccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)c2)s1	742409071	PDPTUNMYFRBOKV-UHFFFAOYSA-N	401.394	5.408	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1	743093935	ZORYLPHNUCCBKN-UWJYYQICSA-N	418.566	5.894	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(Cl)n1	743246241	CIRWCSKLYLKNQS-UHFFFAOYSA-N	407.326	5.037	30	20	HKED	
CC(=NNc1ncnc2c1oc1ccccc12)c1sc(-c2cccnc2)nc1C	747610409	CRZVAUGFBTUVOH-UHFFFAOYSA-N	400.467	5.039	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1ccc(-c2ccccc2OC)cc1	747704629	DJNRIPCKYXVRGQ-GDNBJRDFSA-N	401.462	5.225	30	20	HKED	
CCOC(=O)C1CCC(=NNc2ncnc3scc(-c4ccc(F)cc4)c23)CC1	750935251	PXXFMQJNHXEOPS-UHFFFAOYSA-N	412.490	5.019	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1CCC(C)C	756650058	CUMCHAPLHKTBBE-JOCHJYFZSA-N	400.526	5.399	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1cccs1	768414497	IXZOWZZHKHZLOV-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
N#Cc1ccc([C@H](O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1	779165699	FQYSCDACCOSDDG-FQEVSTJZSA-N	412.367	5.041	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(C#N)cc2F)cc1OC	781106398	BGEGDMJGXJSDLG-FNORWQNLSA-N	418.262	5.153	30	20	HKED	
N#C[C@H](C(=O)CCCCC(=O)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1	783355284	LLPUPZUPDUUMNX-GOSISDBHSA-N	417.292	5.084	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](O)c1ccccc1	788570328	DQRXJNJLTSWSJN-CCDWMCETSA-N	413.521	5.222	30	20	HKED	
CC(C)Oc1ccc(-c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)c(F)c2)cc1	795142226	KBRNDEVCNJZEBX-UHFFFAOYSA-N	418.468	5.363	30	20	HKED	
Cc1ccc2c(c1)CC[C@H](C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O2	796650373	LJCOCTWHPLTNFB-WMLDXEAASA-N	416.424	5.194	30	20	HKED	
C[C@@H](Cn1ccc2ccccc21)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	796888047	JWQNLIHFCGGSGX-OXJNMPFZSA-N	410.502	5.149	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](c3ccccn3)C2)c1	798722097	ZURGRUFKKXLQAH-KRWDZBQOSA-N	403.869	5.029	30	20	HKED	
O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	801674602	ORCJKWMNWITMMN-SNVBAGLBSA-N	411.239	5.059	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1sc2ccccc2c1Br	811914180	CWMHKMOETSFXOY-NSHDSACASA-N	401.285	5.207	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(Cl)c1Cl	813124336	XSICLUPCSPSOGS-LBPRGKRZSA-N	419.051	5.203	30	20	HKED	
Cc1nc2ccccc2c(=O)n1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1	818211800	IGPNOXJJBBIUGJ-UHFFFAOYSA-N	413.424	5.334	30	20	HKED	
Cc1ccc(C(=O)N(O)Cc2cccc3ccccc23)cc1NC(=O)c1ccccc1	901371203	RRHYWTSTVBHNFE-UHFFFAOYSA-N	410.473	5.432	30	20	HKED	
O=C(Nc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1	901379754	DUYSJXXXQRPPAW-UHFFFAOYSA-N	415.276	5.277	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1	915085817	ORCREOQEYRZBGE-QFIPXVFZSA-N	409.514	6.026	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	916679931	BXFNJJOLWJKNBC-OPAMFIHVSA-N	400.438	5.133	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916681599	UKSMKPUWSDZZQJ-VGOFRKELSA-N	403.913	6.220	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(OCc2ccccc2)cc1	916919750	ZQAMUXFVCFMRLG-XMMPIXPASA-N	420.468	5.380	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4cc(C)on4)c3C)n2)cc1	916973349	WNJNTGLDTXPROR-LJQANCHMSA-N	416.506	5.313	30	20	HKED	
N#C[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	917040352	FAKJFJKOTHEDDZ-FQEVSTJZSA-N	412.942	5.014	30	20	HKED	
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	919773580	SIAVJBKUFGLBTM-LIKDZFNVSA-N	424.548	5.299	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1	1830249349	DGNGHKQFLQVDDC-JOCHJYFZSA-N	402.623	5.345	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831694843	NRZFNQUPCDXYHC-OHUMZHCVSA-N	402.623	5.035	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)CC1	1832893385	AGMSZTIAKJPJLK-NQHRYMMQSA-N	422.613	5.178	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2csc(-c3ccc(F)cc3)n2)S1	17699221	MGGZGAOULCLMTQ-LICLKQGHSA-N	409.511	5.458	30	20	HKED	
C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Br)cc1	21927094	WBDBEFHOBWLXMR-UHFFFAOYSA-N	411.328	5.058	30	20	HKED	
C[C@H](/C(O)=N/c1nnc(SCc2cccs2)s1)n1cnc2ccccc21	50004786	VAIUOARKIJKTNT-LLVKDONJSA-N	401.542	5.091	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1C(C)(C)C	51677789	WCQCSUMIRUKMOY-GFCCVEGCSA-N	406.433	5.065	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)o1	55323435	KCILLZSBESIOFQ-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1	56300907	JPFYCQMWJFNSPS-UHFFFAOYSA-N	407.272	5.199	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc4ccccc4[nH]3)c2)cc1	58628829	MMXJXRFYSQVSBQ-UHFFFAOYSA-N	410.477	5.135	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1cccc(OCCCC#N)c1	110065095	OUEQNZYAPLUBLY-UHFFFAOYSA-N	409.873	5.074	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	303884916	RHNNHSDBACZENJ-UWJYYQICSA-N	400.453	5.508	30	20	HKED	
CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2sc3ccc(C#N)cc3c2C)n1	426586413	CCUUICKXARLBDF-QGZVFWFLSA-N	402.479	5.013	30	20	HKED	
CC[C@]1(CO)CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	429170187	JZWSTBZUSVKYKX-OFNKIYASSA-N	411.933	5.012	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCCc1nc2cc(Cl)ccc2s1)c1ccccc1	431283579	QNDNXOAUNBAEPE-QGZVFWFLSA-N	412.946	5.227	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@H](CCCC#N)c1ccccc1	431924742	LBUQERRKZNAEII-OXQOHEQNSA-N	403.448	5.371	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1	436365034	QTZJWTLPGGOJSF-QZTJIDSGSA-N	409.283	5.107	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1	438049276	MGARDPTWYQGNPL-RDTXWAMCSA-N	403.935	5.243	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C1CCCCC1	438051284	UZYPIRPZDHASLZ-LJQANCHMSA-N	407.583	6.448	30	20	HKED	
COc1c(Cl)cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1Cl	438178222	MFPIBNITMTVGDI-YJBOKZPZSA-N	404.297	5.306	30	20	HKED	
CCCc1c(NC(=O)Nc2ccc(OC(C)C)cc2F)cnn1-c1cccc(C#N)c1	439237640	PKTHBINCERWJJW-UHFFFAOYSA-N	421.476	5.267	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C	439693940	UIPHZGLLQJTHDG-UHFFFAOYSA-N	417.962	5.070	30	20	HKED	
C=CCC[C@@H](NC(=O)Cc1c(C)nn(C(F)F)c1C)c1ccc(C(F)(F)F)cc1	441543588	NTMPJDDVBSDFHA-QGZVFWFLSA-N	415.406	5.280	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccccc1Cl	442712644	JLEQGTOEGQMTGR-MRXNPFEDSA-N	404.684	5.637	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)o1	443885163	ZTVJHPFDGUPPKB-UHFFFAOYSA-N	416.355	5.010	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1	460879932	IVVRGXRDLPUYCD-UHFFFAOYSA-N	424.422	5.730	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1c2ccccc2CC12CCOCC2	462526607	MUUSDGKDYNAWOW-FQEVSTJZSA-N	416.974	5.193	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1	475559625	DWODXPKAVDYPLS-UHFFFAOYSA-N	423.532	5.104	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1	476087577	XJAZYQUWVGFKCU-UHFFFAOYSA-N	412.533	6.067	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	476090121	MALDTPNKMMLNIM-UHFFFAOYSA-N	402.878	5.508	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	476117354	IGDYBIQJWTWTMH-UHFFFAOYSA-N	407.495	5.823	30	20	HKED	
C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1	476399469	SAFVTHSUCQUNAK-GTCCEBARSA-N	400.444	5.702	30	20	HKED	
CN(C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C1CCC(F)(F)CC1	481332190	RYFYJBCCRFTNHH-CYBMUJFWSA-N	416.337	5.111	30	20	HKED	
C=C(C)[C@@H](NCc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)c(F)c1	481584028	YCSRYOWZLPUHFP-OAQYLSRUSA-N	416.493	5.513	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1	482360049	HCXJJZMOOQZJMU-UHFFFAOYSA-N	407.493	5.147	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1cnc2ccccc2n1	483228085	KVLNODIHVWNSKA-HXUWFJFHSA-N	413.864	5.352	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	483385982	ZEDIXRJDQQBQCX-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2cc(F)ccc21	483463169	RNVFLHJUWFWFEM-INIZCTEOSA-N	409.873	5.584	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3ccc(F)cc3C#N)CC2)n1	485122447	RNSYFQXWOKJWLC-UHFFFAOYSA-N	407.514	5.209	30	20	HKED	
Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1C(C)(C)C#N	488036024	YULDEQZJLNHPGK-UHFFFAOYSA-N	412.946	5.141	30	20	HKED	
CC(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1	488779896	GLSJZMCBNKJLGU-UHFFFAOYSA-N	412.902	5.116	30	20	HKED	
CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cs1	490485255	MRBMQEVFFWNIKR-OAHLLOKOSA-N	407.495	5.086	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1	491139497	IUFVTZLXVOKDGB-UHFFFAOYSA-N	402.523	5.124	30	20	HKED	
CC(C)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)on1	492153680	QVSFCAQTJJXNEH-UHFFFAOYSA-N	420.275	5.756	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(Cl)c1	493920796	ROCFTRZQVPVLQG-AWEZNQCLSA-N	419.737	5.238	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccccc1Cl	499925511	DMSAJDSBUVZFML-JOCHJYFZSA-N	416.864	5.660	30	20	HKED	
N#CC1(CCCn2ccc(-c3ccc(Br)cc3Cl)n2)CCOCC1	499976795	DGKGAARHRARVRO-UHFFFAOYSA-N	408.727	5.067	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	504915133	QWJHBOSBDDZXCZ-UHFFFAOYSA-N	400.347	5.126	30	20	HKED	
CC(C)OCc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	505349969	MUPUQOYLYRQLSG-VWLOTQADSA-N	414.505	5.185	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)cc1	507204718	SQOXHYDPJTYQKW-UHFFFAOYSA-N	407.473	5.070	30	20	HKED	
C=C(C)CCSCC(=O)Nc1c(Br)cc(C)cc1Br	507833406	JEJUYEBNRGNROD-UHFFFAOYSA-N	407.171	5.158	30	20	HKED	
CC(C)c1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1	514523931	KEWWAZAZDWDOIE-UHFFFAOYSA-N	420.538	5.243	30	20	HKED	
C=CCn1c(SCc2c(Cl)ccc3cccnc23)nnc1-c1ccccc1F	515289305	YLQKJOZHPVRUPZ-UHFFFAOYSA-N	410.905	5.764	30	20	HKED	
C=CCN(CC=C)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1	516748465	LIGJLEXJNGQANR-UHFFFAOYSA-N	423.271	5.064	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc(F)ccc1F	517131489	LKJOVGLYXLGBCT-UHFFFAOYSA-N	407.420	5.046	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1ccccc1Cl	521809364	CZZDMNRZFXFLKQ-HNNXBMFYSA-N	403.935	5.277	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(OC(F)F)cc1	522304083	NZRDRNKLTREZLO-MRXNPFEDSA-N	422.431	5.230	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523514358	CUBJWTOFTSPHLZ-JOCHJYFZSA-N	419.912	6.012	30	20	HKED	
CCN(C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1)[C@H](C)c1ccc(C#N)cc1	525067527	JYDROLDBUDNINK-QGZVFWFLSA-N	416.525	5.420	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C	531313786	GNYRBEZCHAOZTO-HNAYVOBHSA-N	416.978	5.016	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C(F)F	533898572	YAKLEIAFHNHKID-UHFFFAOYSA-N	410.424	5.393	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@H](C2CCN(C)CC2)C1)c1ccc(C(F)(F)F)cc1	534442850	PVBJYKNRIWUXBI-PZJWPPBQSA-N	423.523	5.086	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccccc1Cl	537340716	KQFOADZKIGNZDJ-OAHLLOKOSA-N	410.930	5.481	30	20	HKED	
N#Cc1c(Cl)cccc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F	537845008	AZRKYMUYYINRKZ-UHFFFAOYSA-N	405.228	5.615	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1	538236237	HMHWWZUCEQBPPW-RTBURBONSA-N	405.567	5.064	30	20	HKED	
COC(=O)[C@H](N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1cccc(C#N)c1	538322021	JWFYRYRTWOJJSE-RTBURBONSA-N	422.834	5.185	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	538578009	CWVOOKXAIRPOHN-GOSISDBHSA-N	403.894	5.509	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Nc2cc(C)n(CCC#N)n2)cc1	538614614	HDKLJXZKXMRUGK-GOSISDBHSA-N	417.513	5.006	30	20	HKED	
CCOc1cccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1OC(F)F	538736943	PLGJEPHIQLBMIX-UHFFFAOYSA-N	407.301	5.003	30	20	HKED	
Cc1cc(C)c2c(-c3ccccc3)nc(SCCCC3(C#N)CCOCC3)n2n1	539670224	PYNYSYYLUKIOMY-UHFFFAOYSA-N	406.555	5.206	30	20	HKED	
CN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	540672306	IVZWVFUYYNUMSN-VQTJNVASSA-N	401.432	5.055	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)CSc2cccc(Cl)c2C#N)cc1	541172703	CQLTXSARWHWLIX-IBGZPJMESA-N	400.931	5.066	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1	541661086	OALITNGUPRDRLH-ROUUACIJSA-N	412.603	5.043	30	20	HKED	
C[C@H](NC(=O)N(C)C[C@@H](C)c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1	543335772	MUKKYSCIDNSZGJ-SJORKVTESA-N	404.539	5.188	30	20	HKED	
CC1(C(=O)NC[C@H]2CCCCC(F)(F)C2)CCN(c2ccc(Cl)cc2C#N)CC1	552652864	BARVOVIIIMLAMY-INIZCTEOSA-N	423.935	5.150	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H](c2ccccc2)O1	553310602	FTUXJWZYHHTEJR-KOSHJBKYSA-N	413.477	5.344	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccco1	553320047	NWXDKHMBLKBKJV-FUHWJXTLSA-N	401.532	5.209	30	20	HKED	
N#CCc1cccc(C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1	553323966	DDZDXJZHBYFVDP-QHCPKHFHSA-N	404.897	5.094	30	20	HKED	
C=CCOCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1	554970003	IWPYRPKQNWBHDO-UHFFFAOYSA-N	410.326	5.188	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)sc2ccc(C#N)cc12	555936801	NEQFMPKDDSJXSS-MRXNPFEDSA-N	415.518	5.629	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccc(C#N)c(Cl)c1	560986177	JVLOOIZNAYPSRR-UHFFFAOYSA-N	422.362	5.646	30	20	HKED	
CN(C(=O)c1ccccc1-c1ccccc1C#N)c1nc2c(Cl)cccc2s1	572710734	BHQNEBUXCKVOLO-UHFFFAOYSA-N	403.894	5.765	30	20	HKED	
CCCCSc1ccc(C(=O)N[C@@](C)(C#N)CCSC)cc1C(F)(F)F	577796312	QFBLKTYMLWBZBB-QGZVFWFLSA-N	404.523	5.363	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)sc1-c1cccc(Cl)c1	588348855	ARUWUUOSGSSPRY-INIZCTEOSA-N	410.930	5.185	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	592973297	CJEOPPCKRNVXSC-AWEZNQCLSA-N	408.479	5.663	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(C4CC4)nc4ccccc34)s2)cc1	602226254	LHNPZMLOHQORFE-UHFFFAOYSA-N	410.502	5.283	30	20	HKED	
C[C@H](OCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1	603689741	CUFUMKKWFMWUCJ-SFHVURJKSA-N	416.481	5.035	30	20	HKED	
CN(CCCCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603828934	FPULWQYHUCUYNM-UHFFFAOYSA-N	400.482	5.232	30	20	HKED	
Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c2cnn(C(C)C)c2n1	603968945	OMACJPYHKHIBOB-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
N#CC1(NC(=O)CNC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCCCC1	604008870	YBIYXWRUTCURAL-UHFFFAOYSA-N	416.352	5.015	30	20	HKED	
CN(C)CCc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	609072800	HMFULPXTQLMVAT-UHFFFAOYSA-N	415.562	5.207	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCc1ccc(F)cc1	609079130	KMSWIFPOKAKEBJ-UHFFFAOYSA-N	417.484	5.291	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1	609295833	DIGHPXLVPZYCCX-UHFFFAOYSA-N	424.976	5.175	30	20	HKED	
CCCOc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	609399344	OVHIIMVQGZBBOK-MRXNPFEDSA-N	413.543	5.057	30	20	HKED	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	609428225	FSAGTEWEBPPTFA-MOPGFXCFSA-N	416.546	6.154	30	20	HKED	
N#Cc1ccccc1/C=C/c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	609475552	ISRVCXPCJOPWPM-BUHFOSPRSA-N	403.445	5.177	30	20	HKED	
N#C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1Br	609593857	KNMFZGQDHJLIDL-OAQYLSRUSA-N	405.295	5.040	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(CN4CCCCCC4)CC3)c2)cc1	609988144	NKASWMRVSBLBRT-UHFFFAOYSA-N	416.569	5.030	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1	611376299	TUOWFAFLFUILSR-LSDHHAIUSA-N	421.488	5.389	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN[C@@H](CCC#N)c2ccccc2)cs1	611407022	UTWREKABTWWTDO-QHCPKHFHSA-N	418.566	5.579	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4)n3)n2)cc1	613315267	JOZGHMIZSDXYFV-KRWDZBQOSA-N	401.516	5.732	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1ccc(Cl)cc1	613392081	FARVZPUVCSOMLA-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
C[C@H](NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1	613791651	XNRWSAAXKAMAQS-LIRRHRJNSA-N	419.472	5.138	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)N(C)C(=O)N[C@@H](C)c1cccc(C#N)c1	613992536	KPOCHBWOPBHCPK-KXBFYZLASA-N	414.347	5.044	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	618561402	FCSPWLKERHZFEB-LJQANCHMSA-N	424.378	5.044	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3cc(Br)c(F)cc3Cl)on2)c1	619221561	YLFCTYMKTIBHIE-UHFFFAOYSA-N	420.625	5.021	30	20	HKED	
N#Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl	619748245	DGJCQPRXENHBIH-UHFFFAOYSA-N	402.237	5.323	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)c1Br	682990024	QGOXOWUCSWVCHM-CYBMUJFWSA-N	418.241	5.301	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1c(Cl)cccc1Cl	726322224	HWCQEOFMBOTOMS-WDEREUQCSA-N	408.235	5.718	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1OC	726370416	XOCFXLFTWHXKAZ-NTUHNPAUSA-N	419.481	5.085	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	727233263	LNUVDPBLDLPYGM-RYUDHWBXSA-N	423.341	5.094	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(SC(F)(F)F)cc2)c2ncc[nH]2)c1	729240148	CILXAGGLRHYAHX-GZTJUZNOSA-N	404.413	5.454	30	20	HKED	
Cc1cn2c(/C=C\C(=O)c3c[nH]c4cc(Br)ccc34)c(C)nc2s1	729936415	BMFKCCKQBSWKHN-WAYWQWQTSA-N	400.301	5.153	30	20	HKED	
N#C[C@H](C(=O)CN1CCc2ccccc2[C@H]1c1ccccc1)c1nc2ccccc2s1	731033054	MPIONKDAYVUZFF-PXDATVDWSA-N	423.541	5.120	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C)c1ccncc1	734672794	XZXICWUBIVVRPJ-JXFKEZNVSA-N	422.554	5.200	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	737512251	OXQAZIKMUBUDTC-UHFFFAOYSA-N	403.438	5.642	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	741111258	JAEUGVSOQBBBQV-BEFAXECRSA-N	408.548	5.484	30	20	HKED	
COc1ccc(CNc2ccccc2S[C@@H](C)CC#N)cc1SC(F)(F)F	742259632	KLQUMPRJFQUULI-ZDUSSCGKSA-N	412.502	6.313	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(-c3noc(C4CC4)n3)c2)c1	742660061	UQQIDZCSXGXCOK-UHFFFAOYSA-N	409.445	5.035	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1nc2cc(C(F)(F)F)ccc2s1	744038604	WXHGQILQEYQRRK-JHJVBQTASA-N	422.378	5.573	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc(C)sc2C)cs1)c1ccc(F)cc1F	745999705	JDJPZPLKEBKAIE-ALCCZGGFSA-N	418.490	5.680	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCCCc2ccc(Br)cc2)n1	747199595	XRXBWEROCGYYEL-MRXNPFEDSA-N	405.361	5.618	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(C(F)(F)F)c1	748658829	XWHSDANGOQWIQI-KOTGUFOOSA-N	404.457	6.120	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3c[nH]c4cc(F)ccc34)cs2)cc1	749454336	YMHWGPJRKSDLKG-OQFOIZHKSA-N	408.454	5.247	30	20	HKED	
CC[C@@H](C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	750683951	JXKDKMJOFPBELM-FZKQIMNGSA-N	418.465	5.140	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1C	750912957	JDCQQACWJPQSNC-ZHACJKMWSA-N	417.340	5.276	30	20	HKED	
Cc1nc(NN=C2C(=O)Nc3cccc(Cl)c32)c2cc(-c3ccccc3)sc2n1	750919479	KBZCYISHVZMAOS-UHFFFAOYSA-N	419.897	5.088	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)cc1C#N	752195123	VXWDCFGDYYTJPS-UHFFFAOYSA-N	419.403	5.062	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1	752638032	WICVVOLKRODCFN-JWQCQUIFSA-N	413.496	6.240	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)[nH]c12	754534338	GTZGYBKCKCCPNA-AWEZNQCLSA-N	414.292	5.408	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C\c3csc(-c4ccc(Cl)cc4)n3)ccc21	754690398	UMBCPEPCXOYRBB-NTMALXAHSA-N	408.910	5.269	30	20	HKED	
C[C@@H](OC1CCCCCC1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	761049381	QKSMTNFGEKSICP-DOMZBBRYSA-N	410.461	5.619	30	20	HKED	
CC(C)(C)OC(=O)NC[C@H](NCc1ccc(C#N)s1)c1ccc2ccccc2c1	761330456	NTNPNLSLINOAMK-NRFANRHFSA-N	407.539	5.129	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2ccccc2)c1=S	762467874	SKWSGIXQDPAKLY-OAQYLSRUSA-N	405.571	5.237	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CC2	763945977	VXTRVAYTYUALBL-GOEBONIOSA-N	416.424	5.230	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@@H](C#N)c1ccc3ccccc3n1)oc1ccccc12	767886852	MLUVEZSDWZYQSX-SFHVURJKSA-N	407.429	5.389	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CC=C(c3cc(C)cc(C)c3)CC2)c1=S	769655192	RJTAVKJXRJPFBR-UHFFFAOYSA-N	417.582	5.026	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1	769863847	YSWANYBRHFLFNK-IBGZPJMESA-N	420.394	5.261	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCSc3ccc(Cl)cc32)ccc1OC	772986781	QNFFXEHCEQEVEO-SJLPKXTDSA-N	402.947	5.356	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2ccccc2OC(F)(F)F)cs1	777452797	ILSARNFLIRSOBC-UHFFFAOYSA-N	420.416	5.172	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1	780157977	KKYSVNAQTJGHPL-KRWDZBQOSA-N	420.896	5.391	30	20	HKED	
Cc1cccc(COc2ccc(CNC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)c1	780673984	HVBYXRBGNYRZKA-IBGZPJMESA-N	415.493	5.187	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OCc1ccc(CC#N)cc1	781825775	MYZJXKGKZIWXFP-UHFFFAOYSA-N	401.249	5.380	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([N+](=O)[O-])cc1Cl	782187349	AEIVAEKSJMSQFY-QPJJXVBHSA-N	415.814	5.176	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782755279	QWRSZVHKUKHSJM-DRSNIGMVSA-N	419.550	5.159	30	20	HKED	
COC(=O)[C@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	782898163	GCMCKRJCUTYAJE-RBBKRZOGSA-N	424.422	5.687	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(C(F)(F)F)cnc1Cl	790974179	VJBHOELCZCRRKL-GFCCVEGCSA-N	414.708	5.316	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C[C@@H]1CCC(F)(F)C1	791425248	ANBQJXZLYBBPSJ-JTQLQIEISA-N	403.313	5.508	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(C)Cc2ccc(Cl)cc2Cl)c1=S	798167286	KJMPMBNSQLIIRZ-UHFFFAOYSA-N	409.342	5.256	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1	801613642	WEDSIGMICLPRCH-KMQNXVAFSA-N	421.544	6.285	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)nc1	803060223	QRJGLJOPEFLMFH-ZDUSSCGKSA-N	413.355	5.077	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)s1	810824365	ZBWFDFRGQPNYQO-LBPRGKRZSA-N	419.572	5.363	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21	817318605	DJIHSAFULRKVMK-NRFANRHFSA-N	419.525	5.149	30	20	HKED	
C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)nc1Cl	817871581	ZENGEAFOTUKKMW-SSDOTTSWSA-N	414.708	5.403	30	20	HKED	
CC(=NOCc1nnc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2n1C(F)F	836978118	RDJNRIIVWZJEJT-UHFFFAOYSA-N	417.803	5.076	30	20	HKED	
CCCN(CCC)C(=O)c1ccc(NCc2cc(C#N)ccc2Br)cc1	864004886	DONCUXUOOJCFML-UHFFFAOYSA-N	414.347	5.195	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccc(O)c(CN2CCOCC2)c1	916130647	ZRMOTYASZMPXSH-TWGQIWQCSA-N	423.896	5.034	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc(Cl)c2)cs1	916269423	NDXLQHXZOGZFIG-UHFFFAOYSA-N	405.310	5.581	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2ccc(F)cc2)s1	916916033	NTFXVACZGDOZQV-LJQANCHMSA-N	414.461	5.669	30	20	HKED	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976543	RYPPQHVLGGLOTC-XOBRGWDASA-N	422.937	5.596	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997313	VFEZXWUTLXWSMY-RDJZCZTQSA-N	415.345	6.487	30	20	HKED	
CCc1ccccc1OCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917042739	HMOUAQLZDJWGSA-AWEZNQCLSA-N	404.413	5.133	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(F)cc2)cc(Br)c1OC(F)F	917143954	ZBEFFIWUXYRWHK-UQCOIBPSSA-N	401.178	5.094	30	20	HKED	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1	919653081	QKPOQDLZXKUVDT-UHFFFAOYSA-N	408.889	5.105	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(F)c4)CCC3)n2)cc1	920143945	VDDXVOUDGBHKMI-LJQANCHMSA-N	406.482	5.256	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1	1808208872	GLJKTJLDCHCZDO-UHFFFAOYSA-N	423.022	5.239	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2)[nH]n1	1819555366	CFBWHVSFVZMJSD-FQEVSTJZSA-N	408.546	5.016	30	20	HKED	
COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCCC#N)c1	5333928	QUASTWLRWZQOPM-KGENOOAVSA-N	405.523	5.209	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(F)cc1	10830048	OHVGFOTXYGHJJM-UHFFFAOYSA-O	413.563	5.405	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(C(C)C)cc2)cc1	11262401	RUTBUNKWMBUFGD-UHFFFAOYSA-O	421.561	5.850	30	20	HKED	
N#Cc1ccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1	12271544	VKXFOCFIXSDSPG-UHFFFAOYSA-N	401.249	5.196	30	20	HKED	
N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	14502190	HZPSHPPWMUIMIN-UHFFFAOYSA-N	404.278	5.006	30	20	HKED	
C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1cccc(C)c1	28188410	DQZZNUDEHNRKFI-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OCC	29151477	CHRKWLOQVNNDHB-UHFFFAOYSA-N	400.906	5.581	30	20	HKED	
C=CCOc1ccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1	50647379	BLICNILJFYNOEB-QJOMJCCJSA-N	416.502	5.100	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	72069535	XMLZQFOYWAQHEV-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
COc1cc(/C=C\C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)ccc1OCC#N	96565385	RVJHFVNWSYQJCO-QLTJYVKOSA-N	412.489	5.155	30	20	HKED	
Cc1ccc(C#Cc2nc3cc(Br)ccc3nc2-c2ccc(C)cc2)cc1	98177960	JYUMGMQJPXLKSS-UHFFFAOYSA-N	413.318	6.076	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1	108370030	KUAQPFBAXQQSHQ-FCHUYYIVSA-N	416.908	5.727	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(CCC(=O)Nc1ccccc1C#N)C1CC1	110983136	PPARQRCQRWPEDL-HNNXBMFYSA-N	401.432	5.131	30	20	HKED	
N#CC1(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)CCCC1	219040769	FMMRRDLJCINLEZ-UHFFFAOYSA-N	401.491	5.064	30	20	HKED	
COc1ccccc1[C@H](NCc1cccc(OCCCC#N)c1)c1ccccc1Cl	237284995	JQNCJGDRWQGBBA-RUZDIDTESA-N	420.940	5.910	30	20	HKED	
COc1cccc(C[C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	261483971	YSBHADURDIJJQK-KRWDZBQOSA-N	402.519	5.079	30	20	HKED	
C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC	302844663	GMZDXBQXAUBETJ-UHFFFAOYSA-N	405.445	5.451	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)c1	303012345	MZPICSQJIPTMKB-UHFFFAOYSA-N	422.828	5.343	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCSc1ccc(Cl)cc1	303376687	UVNHUMIFKSUDIU-HNNXBMFYSA-N	404.988	6.245	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	303447891	IXQJBQISIVRQSW-KBRIMQKVSA-N	404.457	5.842	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(C(F)(F)F)c3F)s2)cc1	429916714	BQAFOKWDWBKLHI-UHFFFAOYSA-N	405.376	5.016	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H](C)c1ccc(C#N)cc1	430313813	HGZYERVOLPWISV-LLVKDONJSA-N	400.265	5.320	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1Cc2ccccc2O[C@H](C)C1	432770774	UNFYBFIHTPJQEH-GOSISDBHSA-N	413.477	5.474	30	20	HKED	
N#CCCn1cc(CN(Cc2cccs2)Cc2cccs2)c(-c2ccncc2)n1	435131919	GKXFIUBZIDVLSI-UHFFFAOYSA-N	419.579	5.184	30	20	HKED	
CSc1c(F)cccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	435776264	CQFQBBOAOAMIHR-LLVKDONJSA-N	404.438	5.439	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)c2ccccc2)c1	438036474	OBTBHOXGLNZFLC-RPWUZVMVSA-N	409.489	5.221	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1	438064295	JIFMBQTWWMABND-GJZGRUSLSA-N	413.547	5.252	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1OCC(F)(F)F	438160521	OMHUNLLSHMXSGQ-AEFFLSMTSA-N	421.394	5.070	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)Nc1ccc(SC)cc1)c1ccc(C(F)(F)F)cc1	442055951	KWIXEGUVHFJGTQ-SFHVURJKSA-N	422.472	5.190	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)on2)c1	447438782	HKZLPMVFMCSUNN-UHFFFAOYSA-N	423.432	5.110	30	20	HKED	
CC(C)(CCC#N)CNCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1	462743737	JKEPDSKAVRYKBP-UHFFFAOYSA-N	405.857	5.599	30	20	HKED	
C=CCN(CC=C)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	463266958	PECAVAGSRNKWHG-XYUDRNGQSA-N	409.414	5.309	30	20	HKED	
CCOC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	463954143	YSLBNXPRLFNSEY-UHFFFAOYSA-N	422.428	5.140	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)[C@H](C)c2cccc(C#N)c2)C(C)C)cc1	464057038	MHRWRNSGDZGYIW-HXUWFJFHSA-N	412.533	5.775	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	464215413	QXLYUSRSZISHKX-KRWDZBQOSA-N	418.468	5.201	30	20	HKED	
Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)c(C)c1	464948067	GPEHOZUDYJAYIN-UNMCSNQZSA-N	401.535	5.339	30	20	HKED	
COc1ccc(-c2nnc(SCCCSCC#N)n2C2CCCCC2)cc1	466623812	WULPWWNXOLVGDD-UHFFFAOYSA-N	402.589	5.198	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1	466951023	ZIMGNKLWURMATQ-JWQCQUIFSA-N	419.569	5.202	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1	467337552	VYNADZXWWQOIKI-BEFAXECRSA-N	415.946	5.340	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	468710215	RCLHKXHKHNIPCY-UHFFFAOYSA-N	409.848	5.222	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC3CCC(C#N)(c4ccccc4)CC3)ccc21	468768844	ATHHYHZVVLUDEZ-UHFFFAOYSA-N	412.537	5.086	30	20	HKED	
COc1cc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1SC	469338205	XERHTPWLELMPLY-MRXNPFEDSA-N	409.555	5.173	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](c2ccsc2)O1	470695521	CCFIKQXUTIZLAE-OXQOHEQNSA-N	420.559	5.373	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1	471173708	QYHMIPBNHYLVRW-UHFFFAOYSA-N	417.509	5.158	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	471259422	VXJWMSUDEAULAZ-KXBFYZLASA-N	417.431	5.136	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	471272867	MSOFSQXJTKZZHY-DYVFJYSZSA-N	421.394	5.081	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(Cl)cc1	471826045	MIYGTKWUPHJAER-OAHLLOKOSA-N	424.957	5.592	30	20	HKED	
Cc1nc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)oc1-c1ccc(Cl)cc1	473662701	BNSYNMJMCSGRTM-UHFFFAOYSA-N	422.916	5.295	30	20	HKED	
Cc1ccc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Cl)c1	474249654	VFTLNXTXBBLEOJ-UHFFFAOYSA-N	404.897	5.475	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)cc1	474725577	CHQJMCNSXHOVMS-XMMPIXPASA-N	417.553	5.487	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1	476067156	ZXFWXAHYALWRQH-DJUQAAIZSA-N	416.546	5.162	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1	476651918	BAGNCDRKIRHKST-KSSFIOAISA-N	414.349	5.513	30	20	HKED	
N#Cc1cccc(OCCCSCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1	477360315	HGGQXCSSFOFQMH-UHFFFAOYSA-N	420.321	5.617	30	20	HKED	
C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1	477638108	LNKYMWJWGFBMTP-NHCUHLMSSA-N	417.553	5.077	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cn2)cc1	483214058	CUTPANKYFATJMW-HXUWFJFHSA-N	422.488	5.605	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1	484134541	BSHCRUOXKLNGMN-KBPBESRZSA-N	423.460	5.862	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(C(F)(F)F)cc2)noc1C	485592000	IOZQPEIUBQETRI-UHFFFAOYSA-N	415.371	5.192	30	20	HKED	
C=CCSc1ccccc1NC(=O)CNc1ccc(C)c(NC(=O)C(C)(C)C)c1	487341773	RKULIKXELCRJLB-UHFFFAOYSA-N	411.571	5.308	30	20	HKED	
COc1cc(SC)ccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	487436797	HANAETPCKZVYKJ-UHFFFAOYSA-N	404.491	5.120	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F	487840949	LPAHGYULIOWUIX-MRXNPFEDSA-N	404.432	5.042	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c1	488434784	NDTHCGFUPNCWJF-PMACEKPBSA-N	417.534	5.667	30	20	HKED	
C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1C(F)(F)F	488762623	HZDRKAQKQLJRSJ-SECBINFHSA-N	419.350	5.110	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1F	494037069	IKFJDFPNIZEEMN-GOSISDBHSA-N	409.461	5.103	30	20	HKED	
COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCCCC2(C#N)CCOCC2)c1	499610048	ZZFYNQOJTSYTTB-RUZDIDTESA-N	406.570	5.286	30	20	HKED	
C=CCc1cc(CN[C@@H](c2ccccc2)c2ccc(OCC)cc2)cc(OC)c1O	500129364	GIUKZCDJACBMPF-VWLOTQADSA-N	403.522	5.407	30	20	HKED	
COc1cc(CN[C@H](C)c2ccccc2SC)ccc1OCc1cccc(C#N)c1	501561549	OGYMZKWUZBBMMV-GOSISDBHSA-N	418.562	5.719	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21	501567094	MNBUKGUSEUJLTK-FQEVSTJZSA-N	416.953	5.119	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2nc(C(C)C)sc2c1	502469852	OENVKXLOBFSSEC-UHFFFAOYSA-N	409.511	5.098	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC=C(c2ccc(C#N)cc2)CC1	502532307	YGQVBRTVNNKCNH-HXUWFJFHSA-N	407.517	5.342	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(C(F)(F)F)cnc1O	502733285	UVJUCOUCOKXDKE-UHFFFAOYSA-N	415.396	5.081	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC(OC(F)F)CC2)cc1Cl	506480713	KTFUTGSTTFLRKF-KVWWFHCMSA-N	418.871	5.732	30	20	HKED	
CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1C#N	508106834	ZGOAUMZGBAKJGU-UHFFFAOYSA-N	400.265	5.116	30	20	HKED	
Cc1ccc(Cc2nc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1	509864268	LYCQUMGTHYZAPS-KRWDZBQOSA-N	416.531	5.051	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1	510641677	SQUWIQXTDIYVSC-INIZCTEOSA-N	416.437	5.450	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(C)c(F)c2)cc1	510649793	VMFUDTIRCZEDMR-UHFFFAOYSA-N	405.429	5.128	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cn(-c2ccccc2)nc1C	510847597	SAQFFDNUMJRCJH-UHFFFAOYSA-N	401.388	5.017	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	511544764	DQYIRBPNYBZBKI-FQEVSTJZSA-N	421.438	5.559	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	511992608	UYNPEQDBJXSDHE-UYAOXDASSA-N	401.432	5.055	30	20	HKED	
CCN(CC)C(=O)c1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1	512657645	GQAXHQISVGGMOK-UHFFFAOYSA-N	413.521	5.231	30	20	HKED	
CCCCC1CCC(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	517527314	CQZWEBKUXOUPGC-LMDPOFIKSA-N	415.603	5.132	30	20	HKED	
CC[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)N1CCc2ccccc2C1	517530576	XPROIQGHPDTYOM-NQIIRXRSSA-N	422.598	5.039	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sccc3-c3ccccc3)n2)cc1	517801186	ZTCWVRMFTUXHOK-LJQANCHMSA-N	416.527	6.037	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1	518165660	OQJIIPGRJYCFOB-OAHLLOKOSA-N	424.501	5.097	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(Br)c1	518259446	LVQLPXLUUHFWQX-CYBMUJFWSA-N	404.333	5.165	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	518662500	GQOVVIBUCJKSNW-LSDHHAIUSA-N	406.473	6.089	30	20	HKED	
N#Cc1cccc(CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)c1	519100958	JBFFGDWFHREIAA-UHFFFAOYSA-N	416.477	5.666	30	20	HKED	
CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12	519734157	YCUMTSYGXRLBRQ-QUURXOELSA-N	415.537	5.026	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1	520998984	PFORRNYZTASPMW-SFHVURJKSA-N	423.944	5.119	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1c(C)cc(Br)cc1C	521215612	QENYVQIDIKWZIC-UHFFFAOYSA-N	414.347	5.059	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccco1	521811915	YQUDOWMRHYUZHS-JOCHJYFZSA-N	419.481	5.479	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC(C)(C)c1nc(C)c(C)s1	524076424	VPRAJUSWJKZFDO-UHFFFAOYSA-N	420.538	5.789	30	20	HKED	
Cc1cc(OC(C)C)ccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1	524150765	YRRFCCSNCIHZRK-UHFFFAOYSA-N	407.514	5.166	30	20	HKED	
Cc1cccc2c(CCNC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c[nH]c12	525108381	SSFNYEOWLUXTIJ-UHFFFAOYSA-N	409.489	5.307	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nnc1-c1ccc(F)cc1	525623519	IIMSKWWIGVWSPK-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1	531266303	FDHYFDYGGZBADI-FQEVSTJZSA-N	404.558	5.087	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCO[C@H](c3ccsc3)C2)cc1Cl	534151470	OUOPIAIEPSMFET-NRFANRHFSA-N	424.909	5.279	30	20	HKED	
C=CCn1c(Sc2ccc3ncccc3c2[N+](=O)[O-])nnc1-c1ccccc1C	535006639	WVRFMKXAFXRHPA-UHFFFAOYSA-N	403.467	5.047	30	20	HKED	
N#CCc1ccc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cc1	535349931	MAPRJHLOHLCKTN-UHFFFAOYSA-N	401.413	5.071	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N	535971597	GNOXVIURSODSAB-ZBFHGGJFSA-N	416.616	6.194	30	20	HKED	
C=CCCOCCCCC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	537190863	DMUXZYNUAWIRIG-SFHVURJKSA-N	402.535	5.206	30	20	HKED	
Cc1cc(NC(=O)N(C)Cc2cccc(C#N)c2)nn1-c1ccc(Cl)c(Cl)c1	537530319	PGKXHUVEJLGVTG-UHFFFAOYSA-N	414.296	5.023	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1	539224085	XKCYBDZKGUCSRM-CRAIPNDOSA-N	401.963	5.414	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C	539586404	HTJXPXIBPUIKRG-CQSZACIVSA-N	414.481	5.444	30	20	HKED	
CN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1c(Cl)cccc1Cl	540104009	LVKIKHMWKKYZPD-UHFFFAOYSA-N	411.288	5.721	30	20	HKED	
CN(C(=O)c1ccc(-c2ccc(Br)s2)s1)c1cccc(C#N)c1	541078412	JBTYJDRXSQQLAJ-UHFFFAOYSA-N	403.326	5.387	30	20	HKED	
Cc1csc([C@H](NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)n1	541156059	VXMYKHHIRSDMPJ-KSFYIVLOSA-N	416.550	5.502	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1cc(F)ccc1Br	544073279	ZBQTXPWRCMRJNH-ZDUSSCGKSA-N	421.335	5.411	30	20	HKED	
Cc1nc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(-c2ccccc2)o1	544717302	ZSQHBYXYUPENHQ-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1	547418496	XKXPLYKSIXAADU-KRWDZBQOSA-N	415.493	5.467	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H](COCC)C1	549322131	RKLDATIXOBICMZ-VQTJNVASSA-N	420.557	5.010	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H](C#N)c1ccc(F)cc1	556939944	LSROKTHPFFQCHW-DEOSSOPVSA-N	409.464	5.273	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccccc1	557588483	NBMYUALQCKYWHP-WIYYLYMNSA-N	421.566	5.021	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC2(CC(OCC)C2)C1)c1ccc(C(F)(F)F)cc1	561631257	NIHDNZXVZOGKOP-SCCNAQOGSA-N	410.480	5.313	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[C@H]1C[C@H](C)O[C@H](C)C1	570405460	YOYUONDPLWSZRI-OPVJXMOQSA-N	407.514	5.374	30	20	HKED	
C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OC(C)C)CC1	583393330	QZGLBHGQWWMMLB-LJQANCHMSA-N	420.557	5.151	30	20	HKED	
C=CCn1c(SCCc2ccncc2)nc2scc(-c3ccccc3)c2c1=O	588379174	XHJZGWQFWLKODZ-UHFFFAOYSA-N	405.548	5.041	30	20	HKED	
CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1F	609378584	QIWJUZSJTUSHBI-UHFFFAOYSA-N	411.424	5.169	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H]2CCSc3c(F)cccc32)c1	609432738	NZZVMWAENQZSNN-QHCPKHFHSA-N	404.510	5.603	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1Cl	609811203	UAQWSTWRQILOCH-OLZOCXBDSA-N	408.354	6.128	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)nn1	609882265	ZIPYAKRBSMIAAO-OAHLLOKOSA-N	403.511	5.033	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1C(=O)NC(C)C	609989549	JUXBNOWJWHNJMF-UHFFFAOYSA-N	412.493	5.001	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(N2CC=CC2)c1	610113846	KTQPWHXWDLRTJH-UHFFFAOYSA-N	411.530	5.016	30	20	HKED	
COc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC	610121403	AADKRCDIXVZBBV-UHFFFAOYSA-N	416.568	5.027	30	20	HKED	
CC(C)CN(C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1)c1ccc(C#N)cc1	610170913	DOGOGWCPFMXLDS-UHFFFAOYSA-N	416.525	5.500	30	20	HKED	
Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)o2)c1	610859345	SSOMMUJHLNZJRN-OAHLLOKOSA-N	424.551	5.170	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(COCc3ccccc3)cc2)cc1Cl	619788933	ANRLRUJBNFFAAF-UHFFFAOYSA-N	405.885	5.250	30	20	HKED	
O=C(Nc1c(F)cc(Br)cc1F)c1cc(F)c(C(F)(F)F)c(F)c1	683205735	XDHDGRDTIPFULG-UHFFFAOYSA-N	416.090	5.277	30	20	HKED	
CSc1c(F)cccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	684768388	CRFRKBHWEUBHLL-LLVKDONJSA-N	410.417	5.666	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1csc(Cc2ccc(F)cc2)n1	726910661	DLTSRDYSGFMHDX-UHFFFAOYSA-N	416.861	5.016	30	20	HKED	
C/C(=C\C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1Cl	727575862	OFECXZDJLNNUBJ-DTQAZKPQSA-N	406.869	5.038	30	20	HKED	
Cc1ccc(NC(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1	728472348	MSRSNMZKTVZQEM-UHFFFAOYSA-N	420.852	5.108	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1	728480057	ADXOALZSJJXSBD-UHFFFAOYSA-N	422.484	5.262	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc2ccccc21	729351822	DBZKNVPMOMURCJ-UHFFFAOYSA-N	412.518	5.041	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc2cc(F)ccc2s1	730418044	WXSINCPGYXHWEM-SFHVURJKSA-N	406.482	5.154	30	20	HKED	
N#CCSc1ccccc1NC(=O)COC(=O)CC1CCC(c2ccccc2)CC1	731097556	CJKDIWCIKHQDDF-UHFFFAOYSA-N	422.550	5.148	30	20	HKED	
N#CCOc1ccc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1	731158970	ZXEKATNPJJNOGT-UHFFFAOYSA-N	403.429	5.307	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)n2)cc1	731289311	UGOAMJCMDDWGAX-YTFSRNRJSA-N	419.509	5.815	30	20	HKED	
CCOc1cc(C#N)cc(Br)c1OC(=O)[C@H](C)CSc1ccccc1	731960820	RAKYOIYXMBJIFC-CYBMUJFWSA-N	420.328	5.053	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1	733799765	FQKHIHMXUWKSOG-BBRMVZONSA-N	406.313	5.235	30	20	HKED	
C=CC[C@@H](NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccncc1	734652173	IJLFQPQKVYLJOI-LADGPHEKSA-N	410.521	5.311	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl)c1ccncc1	734668564	DSPIHYMIXHLPDN-PKTZIBPZSA-N	423.919	5.889	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	737803643	VNQJPQBQLHVZSB-UHFFFAOYSA-N	400.438	5.123	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1	739835626	DNSBKMSQCJDSRF-FQEVSTJZSA-N	412.324	5.227	30	20	HKED	
COC(=O)[C@H](Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(C#N)cc1	739989106	DZLVYPXSCKNBMV-JOCHJYFZSA-N	422.431	5.077	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740059194	HQWMLYNIFQTXNE-QFIPXVFZSA-N	417.534	5.342	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C/c2ccc(OCCC(=O)O)cc2)cc1	741469209	KOWODZKHFSKRPH-OVCLIPMQSA-N	402.446	5.112	30	20	HKED	
COc1ccc(Br)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	741540665	YELLSWPDFNTSFY-HXUWFJFHSA-N	421.294	5.365	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccc(SCC(F)(F)F)cc1	741842521	LUIUTANCSUTQLU-WDZFZDKYSA-N	400.425	5.694	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNC2(c3cccc(Br)c3)CCCCC2)cc1	742387566	FEJYBQORMYCDHN-KRWDZBQOSA-N	413.359	5.689	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(Cl)c([N+](=O)[O-])c1	746486362	MQPWJJPDDHBOMT-UHFFFAOYSA-N	402.193	5.286	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccnc(Oc3ccccc3)c2)cc1	749338311	OIZWBIGQKLBMCR-QFIPXVFZSA-N	413.477	5.178	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Cc3c(F)ccc(F)c3C2=O)cs1	749589147	ICDJAHFEDMGDOR-XYOKQWHBSA-N	414.408	5.067	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2ccccc2s1	750681899	RJEJLFDAYRXPJK-SWLSCSKDSA-N	423.950	5.855	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NCc2cccnc2)cc1	751373792	SRASUANNUKGVBA-VWLOTQADSA-N	418.500	5.601	30	20	HKED	
Cc1ncc(C=NOc2ccccc2C(F)(F)F)n1-c1ccc(Br)cc1	754710153	RKXWPABSCDVPRE-UHFFFAOYSA-N	424.220	5.375	30	20	HKED	
O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)(F)c1nccs1	756721781	JJLIJXAVFQOHBX-VIFPVBQESA-N	405.266	5.101	30	20	HKED	
C#CC[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1ccccc1	756776343	OKXBMHGSUNVMPA-PXAZEXFGSA-N	423.148	5.332	30	20	HKED	
CCc1c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1CC(C)C	757878855	DXPBHEYXXDAEKZ-NRFANRHFSA-N	401.514	5.401	30	20	HKED	
O=C(/C=C\c1cc2ccccc2s1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	758434191	NOHRDDWGMKAYPJ-YFHOEESVSA-N	410.438	5.133	30	20	HKED	
N#C[C@@H](C(=O)CCCc1cccc(Br)c1)c1nc2cc(F)ccc2s1	761164984	DAYADFFHNULQEW-HNNXBMFYSA-N	417.303	5.397	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)c1	768765607	NEUOBMLNLGQRGX-GOSISDBHSA-N	424.287	5.325	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2ccc(C#N)cc2Cl)cc1	768996006	MAQLVQTURQTHKX-CYBMUJFWSA-N	414.893	5.441	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c(Cl)c1	768996171	ORWKXJUFMPGCOR-IBGZPJMESA-N	411.914	5.041	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cc2c1	775491952	MGGFNUDHQBJZDC-UHFFFAOYSA-N	420.881	5.144	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1ccccc1	779181726	CISPFOUTLJBPBW-QGZVFWFLSA-N	416.502	5.035	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1	780160260	AOCRZGLYMONXIJ-HNNXBMFYSA-N	410.395	5.916	30	20	HKED	
N#CC1(COC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1	780547735	SILDSUJMHSIFJI-OAQYLSRUSA-N	415.942	5.026	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)nc1	782035633	LCRKXGUHNAKFCS-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
FC(F)Oc1ccccc1[C@H](NC(=S)NCCCCC(F)(F)F)C(F)(F)F	794988685	KHOKJRHUSQKXDW-NSHDSACASA-N	424.357	5.088	30	20	HKED	
O=C(/C=C\Sc1cc(F)ccc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	797836884	AYEBJWFIEROWRI-HWKXXFMVSA-N	419.337	5.160	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2OC)c1	806808578	IGJPRUMAGSDNCO-XQFWAAQXSA-N	421.541	5.059	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	815799309	NRZQXXDIEIFNET-UHFFFAOYSA-N	404.319	5.259	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC(C(F)(F)F)C(F)(F)F	816218590	XWTBLXNTXGLDFF-UHFFFAOYSA-N	421.215	5.319	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915086387	JQMNLLKPMSTPQC-KSFYIVLOSA-N	417.490	5.370	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)n1CC(F)(F)F	915199541	DYYIGLSKKDRHII-OAQYLSRUSA-N	411.427	5.575	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915352455	IOPSFQWJQSKNBZ-FDDCHVKYSA-N	409.489	6.313	30	20	HKED	
COc1cc([C@H](C)/N=C/c2cc3ccccc3nc2O)ccc1OCc1ccncc1	915981856	XQQROIVIDCXIKZ-JEWIKEISSA-N	413.477	5.103	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(Br)cc3)c(=O)c2c1-c1ccccc1	916283813	UQNACLBWOORKOY-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccc(Cl)cc1	916884688	FJDWRVGMUOZXMF-LJQANCHMSA-N	402.837	5.129	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Oc3ccccc3)c3ccccc3)n2)cc1	916975018	UZFXZDHWKZIWMG-DHLKQENFSA-N	424.525	6.115	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	918713647	SGIOLRKQZNRZAU-YFHOEESVSA-N	414.408	5.627	30	20	HKED	
Cc1cc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)nn1C(C)(C)C	919351884	CYGQOZHUGQYKNR-UHFFFAOYSA-N	401.510	5.003	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1OCC#N	919986479	NWADCFMUUVUGRL-KRWDZBQOSA-N	424.953	5.577	30	20	HKED	
CCOc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141208	NDULTVZIKMUGGQ-LJQANCHMSA-N	419.531	5.049	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3csnc3C)CCC2)cc1	1785840911	NBCDYSKFTIAIEQ-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CCC2)C1	1789004297	XHNYMRUGSPCIQO-UHFFFAOYSA-N	400.478	5.147	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc[nH]c4c3)CCC2)cc1	1791247702	GREORJMHTAKVNJ-KRWDZBQOSA-N	401.510	5.128	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1	1791587966	YKNVTOSXYPDZJD-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(C)cc2s1	1801082073	SVPQQHNNCBHOHJ-WKCHPHFGSA-N	422.594	5.230	30	20	HKED	
CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1	8944649	KKMHBGZXDSSBJR-UHFFFAOYSA-N	404.539	5.109	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccoc1C	36807122	MZPCBVLCZBMBJW-SCUMNGBJSA-N	411.571	5.299	30	20	HKED	
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1	255942491	NSJIHGVMAATBDX-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
CC[C@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	303486522	REKIBERHTJDWQQ-HKUYNNGSSA-N	412.967	6.211	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(Br)c2Cl)sc2c1CCCCC2	322354126	FJAKGHYXLBBJHO-UHFFFAOYSA-N	409.736	5.557	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C1(c2cccc(C#N)c2)CC1	435062176	XSIHMTOLKZCMHL-UHFFFAOYSA-N	410.477	5.181	30	20	HKED	
Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	439840872	BTUVAALFVYYFFM-UHFFFAOYSA-N	408.461	5.291	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1	463295468	KWUOQKLAJBIGMM-MRXNPFEDSA-N	421.522	5.138	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1	464816161	VOFFRHHCQPRASA-RBUKOAKNSA-N	412.415	5.027	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCCc1nc2ccccc2s1	464939731	YIXUVFMMJZAHEL-PZJWPPBQSA-N	403.551	5.307	30	20	HKED	
C=CCCN(C)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	466572388	JHTJYDFFVHKMMA-UHFFFAOYSA-N	405.420	5.306	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1cc(F)ccc1F)C1CCCC1	466610071	OLGKNSGHQYDILK-UHFFFAOYSA-N	414.456	5.019	30	20	HKED	
N#Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1	468468328	QFQCNMWXMQPWKW-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
C[C@H](c1nc2ccccc2s1)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469189515	JEOBEUALMJUTJE-DLBZAZTESA-N	418.566	5.483	30	20	HKED	
Cc1c(NC(=O)c2ccccc2Oc2ccccc2C#N)cccc1NC(=O)N(C)C	471372347	FAARPBHSDULBGQ-UHFFFAOYSA-N	414.465	5.005	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ncsc2C(F)(F)F)cc1Cl	471753011	CQWUEIDYAQUERO-CQSZACIVSA-N	421.831	5.723	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](c1ccc(C)cc1)c1ccccn1)c1ccc(F)c(F)c1	472189454	MIGSKVHMDJTIKP-DHIUTWEWSA-N	407.464	5.374	30	20	HKED	
CCN(CC)CCn1ccc2cc(NC(=O)C[C@H](CC#N)c3ccccc3)ccc21	475447828	QGPPTYMXBINMMM-NRFANRHFSA-N	402.542	5.009	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1	475569995	DNVSLPHPLSKQOC-JOCHJYFZSA-N	405.586	5.524	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	475599398	IAWXMWFEFOGCTC-INIZCTEOSA-N	411.571	6.206	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccc(F)c(F)c1	480373528	WMERWFDOYYQZKV-FQEVSTJZSA-N	401.457	5.307	30	20	HKED	
CCc1cc(O)ccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	483698671	HGGCPENEBPVKJT-UHFFFAOYSA-N	401.466	5.358	30	20	HKED	
Cc1nc(CCC(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)oc1-c1ccccc1	486591261	ZRESWRQUAKTADC-UHFFFAOYSA-N	417.553	5.294	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(-c2ccsc2)s1	486703812	ANVALAJJBRWIFM-UHFFFAOYSA-N	417.515	6.096	30	20	HKED	
N#Cc1cccc(-c2cnc(CNC(=O)c3ccc(CSc4ccccc4)cc3)[nH]2)c1	491854651	PBTKAKAKVRNRRO-UHFFFAOYSA-N	424.529	5.171	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(OCc3cscn3)c2)c1	502493897	VJTYEVRREKORBS-UHFFFAOYSA-N	408.483	5.049	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(SC)cc1	502664670	RGFRGEZLBHKGEZ-UHFFFAOYSA-N	409.324	5.530	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)nn1-c1cccc(C#N)c1	503159942	ZISPRPMNHWQTGL-UHFFFAOYSA-N	411.465	5.083	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1	503223129	CTFGRAMTHXERAZ-UHFFFAOYSA-N	412.493	5.110	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H](c2ccccc2Cl)C(C)C)c1	503254685	JGKXYKVFZWILOR-NRFANRHFSA-N	414.933	5.089	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(COCc4ccccc4)cc3)CC2)cc1	503503138	MVCNAFASAGWXRH-UHFFFAOYSA-N	423.516	5.596	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)cc1	505148728	LQHAWQKUIVGSLF-UHFFFAOYSA-N	423.925	5.019	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)COc1ccc(Cl)cc1C1CCCCC1	505179778	MIDADOBLOWNRAN-UHFFFAOYSA-N	411.933	5.104	30	20	HKED	
CCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	508255210	XWGVMFLFKIOCII-UHFFFAOYSA-N	415.493	5.456	30	20	HKED	
CC(C)c1ccc(-c2ncc(CSCCCC3(C#N)CCOCC3)s2)cc1	508589200	QHDCKHIOZLZXJY-UHFFFAOYSA-N	400.613	6.267	30	20	HKED	
Cc1csc(Sc2c(Cl)cccc2NC(=O)c2ccc(C#N)c(C)n2)n1	509192482	QZOBSQFSGZTUMP-UHFFFAOYSA-N	400.916	5.084	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1	509647440	YPPULXQESDRMFJ-WOJBJXKFSA-N	401.432	5.055	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1	510030717	XUBFWBNLMGMIRM-UHFFFAOYSA-N	402.306	5.359	30	20	HKED	
CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)N(C)C[C@H](C)C#N)cc1	510061179	YELVKWJLWRHOKZ-CQSZACIVSA-N	421.419	5.520	30	20	HKED	
COC[C@H](C)n1c(C)cc(C(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1C	510210313	QHWCDFVLMLYPQZ-KRWDZBQOSA-N	419.550	5.221	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N(C[C@H](C)C#N)C1CC1	513711201	DNWKBSYMJGLRFO-GFCCVEGCSA-N	417.918	5.011	30	20	HKED	
C=CCn1c(SCc2ccncc2)nc2sc(-c3ccccc3)c(C)c2c1=O	514563582	YMQNGBBKQZVIGQ-UHFFFAOYSA-N	405.548	5.307	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1	518165475	FXZLZNNYYIWERB-GAJHUEQPSA-N	419.525	5.989	30	20	HKED	
CCc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2cccc(C#N)c2)cc1	518269536	IPIQINBTJXODSJ-UHFFFAOYSA-N	406.533	5.322	30	20	HKED	
CC(C)c1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C(C)C)c1	519190585	XFMPTAXIJCVTLJ-UHFFFAOYSA-N	405.542	5.880	30	20	HKED	
CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	520176961	VYTDCOUKMJFSII-SFHVURJKSA-N	405.420	5.504	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)nc2ccccc21	521288212	QBKOHSBVAQYDQQ-SFHVURJKSA-N	419.843	5.648	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21	521912580	VNVSURYSKNWPDN-OAQYLSRUSA-N	416.468	5.072	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C(=O)N(CC)CC)c1	524145566	XLRAEFJVZRZZPO-UHFFFAOYSA-N	420.431	5.005	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	524458330	RQMZBJPMLPGHKE-UHFFFAOYSA-N	409.486	5.417	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)cc1	524929369	QZEKJGSGHIYCPH-DEOSSOPVSA-N	413.521	5.567	30	20	HKED	
CCCN(C)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C	532513400	VCZJSOODUIGJNS-MDZDMXLPSA-N	420.582	5.073	30	20	HKED	
CCN(C(=O)CCc1cc(Br)ccc1F)[C@@H](C)c1ccc(C#N)cc1	534645243	VFOGFJCVECFCQK-AWEZNQCLSA-N	403.295	5.002	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1	536156461	YDSYPVWMKLUJPT-KRWDZBQOSA-N	418.468	5.385	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	536287282	RVJAMSUAXFWPSA-UHFFFAOYSA-N	410.433	5.958	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1cc(F)ccc1F	542004901	UBPIECNDTDYCKO-HOTGVXAUSA-N	405.448	5.181	30	20	HKED	
N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)CC1	542913704	JKKWXWXCJILTTP-HTXNQAPBSA-N	411.505	5.471	30	20	HKED	
N#Cc1cccc(CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1F	544085410	QWYWHSRKUMOEET-UHFFFAOYSA-N	404.832	5.698	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)ccc1F	551554785	HXVPPZJCVSJVAA-UHFFFAOYSA-N	400.331	5.761	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)cc1Br	554351834	HIMBKTJFRRRBTQ-UHFFFAOYSA-N	405.340	5.145	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1c(F)cncc1F	557785143	AQLFQWLWFFKFMY-LBPRGKRZSA-N	413.811	5.168	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N[C@H](CCCC#N)c3ccccc3)c(C)c2c1	565851964	KFGUUBNIHYZNAP-JOCHJYFZSA-N	402.494	5.428	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCC1C[C@H](C)O[C@@H](C)C1	574502422	XOSYSISZDAUOJL-OALUTQOASA-N	421.541	5.161	30	20	HKED	
CSC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSCc1ccccc1	576668503	YUNRWIAJUNXVAV-JOCHJYFZSA-N	410.564	5.241	30	20	HKED	
N#Cc1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C(F)(F)F)c1	577921772	VIHACRWDGXKFRA-UHFFFAOYSA-N	424.348	5.071	30	20	HKED	
N#Cc1ccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1	589497372	QQNSIFMYFRCFMK-TXEJJXNPSA-N	404.276	5.140	30	20	HKED	
COc1ccccc1-n1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1cccs1	603976530	FHYSZIKMAFSRBU-QGZVFWFLSA-N	418.547	5.231	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccc3oc4ccccc4c3c2)c1	609066222	CFRDXPOYPVGXRM-UHFFFAOYSA-N	408.360	5.077	30	20	HKED	
CCOc1ccc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	609209129	RZYLZQRHLDDEMT-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4cccnc4)cc3)cc2)c1	609427397	MXXDFFBUTCNTOS-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1	609430839	ZDTSDOMKZAZRJX-LLVKDONJSA-N	404.322	6.121	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1	609434910	ZUYNHNWKCRSKSA-QGZVFWFLSA-N	418.566	5.974	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nccs1	609437122	QFXLBLLOSFANEG-HNAYVOBHSA-N	408.552	5.448	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1	609527067	LVMZGXHOYYEKMI-UHFFFAOYSA-N	404.469	6.153	30	20	HKED	
CC(C)Oc1cccc([C@@H](C)NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1	609556684	RCWJSCNVSFGDNI-OSFYOIPJSA-N	421.541	5.096	30	20	HKED	
C[C@@H]1SCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H]1c1ccccc1	609819979	WSTPOEOXLRPFAG-SBUREZEXSA-N	418.518	5.049	30	20	HKED	
CC(C)CN(C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)c1ccc(C#N)cc1	610171274	MXGDIWHHDWNFGE-UHFFFAOYSA-N	416.525	5.500	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCSc3ccccc32)cc1	610224904	GTFONBWRJACMJR-QFIPXVFZSA-N	414.530	5.550	30	20	HKED	
Cc1sc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	610348917	AIYZXHHYDZAEOB-CYBMUJFWSA-N	410.930	5.204	30	20	HKED	
CCc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cnn1CC(C)C	611139215	AKGDLSXLHGOEQI-UHFFFAOYSA-N	404.539	5.377	30	20	HKED	
CN(c1ccccc1)c1ccc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	615728694	RFLNQSIXVCLAER-UHFFFAOYSA-N	424.548	5.650	30	20	HKED	
CC(F)(F)c1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	644971877	SINOSMXFOWLRJH-BETUJISGSA-N	418.328	5.071	30	20	HKED	
O=C(c1ccc(-c2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674445534	PBXWXQXJTCBHEV-TXEJJXNPSA-N	411.342	5.367	30	20	HKED	
O=C(CCc1ccc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674446089	GZJNLWUCHFTGOU-OKILXGFUSA-N	423.328	5.218	30	20	HKED	
Fc1cccc(F)c1-c1nc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)co1	676883521	NCBGACCAELLANX-UWVGGRQHSA-N	414.296	5.183	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ncoc1-c1ccc(F)cc1	681129636	PVATZSYUBOIKDM-GHMZBOCLSA-N	424.316	5.120	30	20	HKED	
COc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1F	726485653	UPRGBGIZPVDKSP-UHFFFAOYSA-N	423.488	5.557	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3cc(F)c(F)c(F)c3)SC2=S)cc1Cl	728083114	DRSSVYBNBZYWSU-LHHJGKSTSA-N	410.829	5.035	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	731331343	CLSSJXAKCTUSAJ-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccoc1COc1ccc(C=O)cc1	731639287	SMHOIMWIINEVEF-INIZCTEOSA-N	420.490	5.175	30	20	HKED	
Cc1c(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c(C#N)c2n1CCC2	731938348	PLCDIUJHGWBZJH-NTMALXAHSA-N	403.463	5.147	30	20	HKED	
FC(F)(F)c1cccc(C=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1	733080142	QDQNJAWDSMJUPB-UHFFFAOYSA-N	411.309	5.022	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)NC(C)(C)c2ccc(C(C)C)cc2)ccc1OC	733645617	AEFBACRPLHMYDL-NRFANRHFSA-N	423.557	5.234	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1c(Cl)nc2ccccn12	737446520	UXXDDCKOXDVGBT-CMDGGOBGSA-N	400.290	5.661	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)N[C@@H]3CCOc4ccccc43)cc2)cc1	741486211	CMWSIXXXQKPEQF-OAQYLSRUSA-N	401.491	5.161	30	20	HKED	
CCCCOc1cc(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)ccc1OC	741853044	XLALNBOFEWQLCP-WQLSENKSSA-N	415.493	5.136	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744063336	LVWVYVLFCPSNER-CJNGLKHVSA-N	415.440	5.594	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2csc(-c3ccc(C)o3)n2)cc1OC	744180102	LVFFRENOLGLDMA-UHFFFAOYSA-N	406.891	5.323	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	744410986	FEOWPMPJFRXXOF-IRFCIJBXSA-N	403.551	5.049	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1ccc(Cl)c(Cl)c1	745724262	NSYYBYGBGVVUER-UHFFFAOYSA-N	412.345	6.269	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(-c4ccncc4)cc3)c(Cl)nc21	745990869	ZQJUIDWXGADUNA-FPLPWBNLSA-N	402.885	5.624	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Cl)c(F)c2)cs1	747636312	YOYVSSQRLDWMFZ-UHFFFAOYSA-N	423.300	5.720	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1	750302625	LTOKRXMJCCLSMW-DEOSSOPVSA-N	403.526	5.298	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	752166539	XLWIQAIDCKKBDI-HUUCEWRRSA-N	421.369	5.820	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c1	756073958	RYKDIVAHTBTRIW-AEFFLSMTSA-N	414.575	5.159	30	20	HKED	
CC(=NNc1nc(O)c2ccccc2n1)c1sc(-c2ccc(Cl)cc2)nc1C	757585119	YSDPEMBUMQVXSV-UHFFFAOYSA-N	409.902	5.257	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1	757876345	URUCFVLJASNXDT-HXUWFJFHSA-N	424.287	5.325	30	20	HKED	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1	759232559	STXSMGRKCJQSAV-FOIQADDNSA-N	422.525	5.017	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1	759589141	RLFWSVGHJRXPSO-NEQMZLFVSA-N	408.379	5.318	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CCC(c2cccc3ccccc23)CC1	761662359	CLCIVZYYQZQWHT-UHFFFAOYSA-N	403.457	5.293	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c(F)cccc1F	764567852	ZOEDSUPWNAUWOO-RISCZKNCSA-N	402.853	5.722	30	20	HKED	
CCOc1c(Cl)cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1Cl	768614911	RBJNWGQBAKIMGA-UHFFFAOYSA-N	404.080	5.823	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCc3cc(Cl)cc(Cl)c32)ccc1OC	772979041	KDKLPVCVKYMPDQ-WMZOPIPTSA-N	405.325	5.460	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCc2c(Cl)cccc21	776075984	ADFDDTBNVKNMBD-CVEARBPZSA-N	407.684	5.024	30	20	HKED	
N#C[C@@H](OC(=O)CCc1ncc(-c2ccccc2Br)o1)C1CCCCC1	776379145	UBANKHLUTUENFA-QGZVFWFLSA-N	417.303	5.052	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](COc1ccccc1F)c1ccccc1	780673889	GFUNJFIDGMQJGF-DYESRHJHSA-N	419.456	5.058	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(COCc2ccccc2)cc1	780684449	OIKMBTLMODPCOK-IBGZPJMESA-N	415.493	5.016	30	20	HKED	
Cc1nc(CCC(=O)OCCCC(C)(C)C#N)oc1-c1ccc(Br)cc1	783530590	PPMXVBZWLCLEJJ-UHFFFAOYSA-N	419.319	5.218	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCC=CO1	783635281	FBFZXTIGHXPBEU-VXGBXAGGSA-N	421.259	5.137	30	20	HKED	
CCCCCCCC[S@](=O)Cc1nc(-c2cc(Br)cs2)no1	790137936	ABAMKLXIWMGRLC-QFIPXVFZSA-N	405.383	5.170	30	20	HKED	
N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1cnc2ccccc2n1	792109866	VZTRQMWYSFTTAX-UWZYDCLUSA-N	401.775	5.105	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cnc2ccccc2n1	792115030	RXLQWZOLGHGYEJ-LHRNQBEKSA-N	401.775	5.192	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc(OC)c1	794726490	AZAAPNBNABCAMC-NSHDSACASA-N	422.268	5.172	30	20	HKED	
N#C[C@@H](C(=O)Cc1coc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	796796878	FDRNKBIHGSENHN-FQEVSTJZSA-N	410.429	5.115	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1	796891189	DAFRYSFSGVRKPO-RTWAWAEBSA-N	423.472	5.085	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)cc1	801776681	DJGZGDCSZOLFRO-UHFFFAOYSA-N	418.541	5.014	30	20	HKED	
C#C[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1F	806265934	SVHHGVINMQLETQ-CXAGYDPISA-N	401.894	5.369	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2ccccc2CSc2nc(C)cs2)cc1	809257435	DZSZHNSCFCIAMA-FQEVSTJZSA-N	407.564	5.301	30	20	HKED	
CC(=NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1)c1csc(C)n1	812446827	CUNPKLYGVFKPEC-UHFFFAOYSA-N	417.538	5.110	30	20	HKED	
COc1ccc(-c2nc(/C=C/C(=O)c3sccc3Br)cs2)cc1	915112551	DCCYKLXTFJWLGX-QPJJXVBHSA-N	406.326	5.539	30	20	HKED	
CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1	916546401	OZOMEUZUYIVNBV-UHFFFAOYSA-N	400.935	5.285	30	20	HKED	
C=CCN(C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12)C(C)C	920025526	STMAUZIFZRFMDH-UHFFFAOYSA-N	406.526	5.208	30	20	HKED	
Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1ccc(-c3nc4ccccc4s3)o1)CC2	920069043	QZQFKDGQDPYEHI-ZRDIBKRKSA-N	405.431	5.368	30	20	HKED	
Cc1ccc(C(C)C)c(OCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920141888	NFDJFZFTWCNKRX-FQEVSTJZSA-N	415.518	5.369	30	20	HKED	
C[C@@H](NN=Cc1cc(Br)ccc1OCc1ccccn1)c1ccccc1	920383413	VOKXTMXDJQIKJZ-MRXNPFEDSA-N	410.315	5.108	30	20	HKED	
Oc1nc2cc(F)ccc2cc1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	1473928631	XOLWJZWHRYKTKL-RYUDHWBXSA-N	410.333	5.079	30	20	HKED	
CCCC1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)CCC1	1709537134	JGMPBGBEPRDCEA-XMMPIXPASA-N	421.589	5.000	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCC1	1785753932	AQYKGUXNRJMKQF-IBGZPJMESA-N	423.944	5.251	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cc4F)CCC3)cc2)C1	1785803239	FNHKALRDKPCRRL-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1	1785966973	RYLIEUKZGHUCAV-FQEVSTJZSA-N	419.525	5.068	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1	1788863201	DGSOVOZBTQTGIZ-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C(C)=C/c4ccc(C)o4)cc3)CCC2)C1	1789582125	WFYYXCBWLILKNQ-BMRADRMJSA-N	404.510	5.092	30	20	HKED	
CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)CC1	1790257081	FVZXIRONGFRBTN-HXUWFJFHSA-N	413.521	5.052	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCCC)cc3)cc2)CCC1	1790338251	UHKLZEOOGIEINQ-UHFFFAOYSA-N	418.537	5.027	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816691121	YPCOXAVGCLSYKT-OAQYLSRUSA-N	412.578	5.141	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828344145	NAGOESZHPHEQNZ-DNQXCXABSA-N	412.618	5.121	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1	10173565	MPPSJVWODMAEIK-UHFFFAOYSA-O	419.570	5.416	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)cccc2c1=O	14685976	JRDKBPXKIFRRBX-UHFFFAOYSA-N	414.848	5.546	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1nc2c(s1)CCCC2	23660044	NZDSNPRRBSWOTJ-UHFFFAOYSA-N	406.507	5.317	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1	46712289	HISAOKSMNOVLSG-AWEZNQCLSA-N	417.962	5.209	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(OCc2ccccn2)c1	48187979	HUJBGOPWRGEARH-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1	56756986	JXKZHPZIAUEPJV-GOSISDBHSA-N	417.509	5.472	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC[C@@H](c3ccco3)N3CCCCC3)c2)c1	60959049	QHCKWVULZXBFCM-VWLOTQADSA-N	415.537	5.047	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2cccnc2)nc2ccccc2c1=O	109379948	DKEMXFLZIBFLKW-UHFFFAOYSA-N	401.491	5.062	30	20	HKED	
Cc1cccc(Oc2ncccc2NC(=O)CSCc2ccc(C#N)cc2)c1C	117562984	FWFUNIHGXXQLDX-UHFFFAOYSA-N	403.507	5.234	30	20	HKED	
N#C[C@H](NC(=O)c1csc(Cc2ccccc2)n1)c1cccc(Cl)c1Cl	303369315	JOALMNQOYCKSOC-HNNXBMFYSA-N	402.306	5.035	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccccc1Br)c1cccc(Cl)c1Cl	303414202	VSMUXOUXGCPXMA-OAHLLOKOSA-N	412.114	5.070	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)ccc21	409507608	OQTZOHRUEOAXRY-UHFFFAOYSA-N	418.403	5.427	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428810818	INLBKVTUQJIPHC-KRWDZBQOSA-N	421.570	5.185	30	20	HKED	
COc1ccc(-c2cc(NC(=O)N(CCC#N)CC3CC3)ccc2OC(F)F)cc1	429237340	NVYMNVKFBDTDHJ-UHFFFAOYSA-N	415.440	5.121	30	20	HKED	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1ccccn1	430512276	ZDEMLZSQFYVJHL-GFCCVEGCSA-N	400.265	5.657	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1	430601491	UOFFKHHDBCWWNP-LJQANCHMSA-N	402.519	5.470	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl	436292639	BOAFFWUAAJILEM-RTFZILSDSA-N	401.934	5.017	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2cc(-c3ccncc3)ccc2OC)cc1	437262586	KYNHONOWVDVCOS-UHFFFAOYSA-N	413.521	5.184	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1F	438622212	ANMGRQMMYAFLFS-INIZCTEOSA-N	421.447	5.493	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	438633004	FKIZWNVKIFCGHO-UHFFFAOYSA-N	401.310	5.260	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1c(F)cc(Br)cc1F	438638634	YPRYPRQLIJIMJE-PBHICJAKSA-N	420.257	5.031	30	20	HKED	
Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)c1	438648743	RHBQXFOAIXAFTF-UHFFFAOYSA-N	417.431	5.269	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccncc3)n2C2CCCCC2)c(Cl)c1	438898392	HTGYDCJBJBMCJD-UHFFFAOYSA-N	409.946	5.663	30	20	HKED	
CCCc1c(NC(=O)Nc2ccnn2[C@H](C)CC(C)C)cnn1-c1cccc(C#N)c1	439673890	VVWYSSVFVAKBTQ-QGZVFWFLSA-N	419.533	5.144	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cnn1-c1cccc(C#N)c1	439678815	RCLYFLRBCAXCJZ-PGRDOPGGSA-N	413.525	5.106	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1	440391694	OOAZAHQTOKQOMS-LBNVMWSVSA-N	422.528	5.564	30	20	HKED	
N#CCCn1cc(CNc2ccc(C(=O)Nc3ccccc3)cc2)c(-c2ccccc2)n1	446890731	OOFALVHXKJRTFJ-UHFFFAOYSA-N	421.504	5.328	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1nc2ccccc2o1	447205736	BEUDSWFOOVWXKZ-INIZCTEOSA-N	410.458	5.232	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2)c(Cl)c1	447628995	LNVYDVSWRBQVJH-UHFFFAOYSA-N	402.668	5.833	30	20	HKED	
C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H]1c1nc2ccccc2s1	460780785	RQSVZTNMFOBGJZ-SFHVURJKSA-N	416.554	5.176	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1	463707251	OBACXHADYRYGNK-UHFFFAOYSA-N	416.525	5.115	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)c1	465876119	UDZCRGBMYHTZQF-RUZDIDTESA-N	409.464	5.439	30	20	HKED	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	467405296	MPSVRCAFKQFKNP-ZDUSSCGKSA-N	424.476	5.035	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccsc2)C1	467916770	WVQRWCSZIIIFGT-QFIPXVFZSA-N	419.506	5.326	30	20	HKED	
COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C1CC1	469415011	YXXBTDRLUBOETL-UHFFFAOYSA-N	420.456	5.849	30	20	HKED	
CCCCOc1cc(OC)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	469682835	BVHGNRODGUENBQ-MRXNPFEDSA-N	413.424	5.109	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	470641538	MOXGEPOQVGOQSD-UHFFFAOYSA-N	413.930	5.087	30	20	HKED	
C=CCn1c(S[C@@H](CC)c2ccc(Br)cc2)nnc1-c1ccncc1	471210155	JMIMMGLPHVZHQU-KRWDZBQOSA-N	415.360	5.532	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(Oc4ccc(Cl)cn4)cc3)o2)c1	471637607	XYJHMKMUVWLRQK-UHFFFAOYSA-N	403.829	5.061	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	475341366	BDVAXMBRWRIPEW-LJQANCHMSA-N	407.901	5.743	30	20	HKED	
N#CC[C@H](CC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1	476652506	BMHUUWBGXLZSGL-RDTXWAMCSA-N	412.358	5.095	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccc(F)c(F)c1	480330764	GCUZFNXCJKJLCM-QFIPXVFZSA-N	409.436	5.378	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccc(Br)c2)nnc1-c1ccncc1	481395625	AEZCVYJSHUHALQ-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl	482055830	WTTDWHWNUUWTSI-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2n1	483206499	XKDLIOIREJZHJJ-CYBMUJFWSA-N	409.289	5.157	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1	485466816	PPJTZGMOVUFXDN-UHFFFAOYSA-N	416.546	5.423	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	487031333	JYAOPDARNIYIJJ-HNNXBMFYSA-N	423.925	5.002	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(C#N)c(Br)c2)c1C1CC1	487961443	WHTHWMPTGHHPCS-NSHDSACASA-N	402.296	5.010	30	20	HKED	
Cn1c(COc2ccccc2)nnc1SCc1ccc(-c2ccccc2C#N)cc1	488884278	YACFXVPHTVAJNH-UHFFFAOYSA-N	412.518	5.225	30	20	HKED	
C=CCn1c(SCc2ccc(Br)cc2Cl)nnc1-c1ccncc1	489158993	BGAPXOUWMWUCHD-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(F)cc2cccnc12	489684146	JHEUMDMSEMLSER-UHFFFAOYSA-N	420.513	5.331	30	20	HKED	
COc1ccc(-c2noc([C@@H](C)Nc3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1	489776547	VKFTWKQAWUKPJQ-MRXNPFEDSA-N	412.449	5.582	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1)c1ccccc1	490274208	RZYIKUHEATWWFS-QGZVFWFLSA-N	412.946	5.308	30	20	HKED	
C[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)s1	495243199	WDHBCZLNGSQFNG-JTQLQIEISA-N	420.972	5.159	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	498138219	RTBAVKLIJRXKER-IBGZPJMESA-N	417.509	5.033	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccccc1OC(F)F	499522475	ZZPXQEVCYZXRAZ-SNVBAGLBSA-N	416.371	5.298	30	20	HKED	
C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(-c2ccncc2)cc1	504825560	KNFFIMXHUAOGPF-LJQANCHMSA-N	408.505	5.180	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)o2)cc1	505326857	PSTZTLHGMLUZOD-QGZVFWFLSA-N	413.260	5.451	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1ccccc1-c1ccccc1	506525002	YOSVDFITKNCFCS-UHFFFAOYSA-N	414.505	5.051	30	20	HKED	
Cn1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(-c2cccs2)n1	507261884	ILJPLTDDOHXXEZ-UHFFFAOYSA-N	400.463	5.065	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1	507881039	ZCEOMNWBPNCNAK-HSZRJFAPSA-N	414.461	5.161	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCN1CCCC[C@H]1C	510714817	FORRPLJNKBLNBQ-HXUWFJFHSA-N	420.557	5.435	30	20	HKED	
C[C@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C#N)cc1F	512649518	SKBFDGHZQIZYIS-IBGZPJMESA-N	410.496	5.460	30	20	HKED	
Cc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccccc2n1	512894244	IMHKSRVEJJRBRB-ZDUSSCGKSA-N	422.579	5.260	30	20	HKED	
N#Cc1c(NC(=O)c2sccc2Br)sc2c1-c1ccccc1CC2	515624484	DRURZDIGYFDOQZ-UHFFFAOYSA-N	415.337	5.462	30	20	HKED	
CSc1ccc(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	515756252	TYMOXRQHWQTRFH-KRWDZBQOSA-N	417.534	5.298	30	20	HKED	
Cc1cc(C)n(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1	515800562	WTYXDFIWOITZLS-UHFFFAOYSA-N	423.904	5.029	30	20	HKED	
Cc1cc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)s1	518026466	KIPJCMQFHICPNF-INIZCTEOSA-N	406.576	6.020	30	20	HKED	
C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc(-c2cccs2)no1	519431834	RLFXQLIIYBTVTD-LLVKDONJSA-N	424.473	5.996	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)c1cccc(Cl)c1Cl	519486352	DMUJJMVCYJGQNY-CYBMUJFWSA-N	424.081	5.497	30	20	HKED	
CCOc1ccc(-c2nc(CN3CCC(Oc4cccc(C#N)c4)CC3)cs2)cc1	520606436	FHMLJZGXJRWHAF-UHFFFAOYSA-N	419.550	5.124	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1	520743464	CJSJPHVSKAKAHM-NRFANRHFSA-N	417.440	5.307	30	20	HKED	
Cc1ncc(-c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)o1	521951506	FDEXAQOVSQYERD-UHFFFAOYSA-N	409.445	5.761	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21	522462940	FXFVUSLPOOMUAX-VWLOTQADSA-N	423.516	5.447	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)cc2)cc1	522959891	SRWUJQXZNHMARA-NRFANRHFSA-N	414.480	5.389	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1	523016354	KGKBPHAYDZYTHZ-WIYYLYMNSA-N	421.516	5.050	30	20	HKED	
CCc1nc(CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cs1	523947646	CKHFFLKARGONEC-UHFFFAOYSA-N	411.914	5.295	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NC(=O)N(C)Cc3cccc(C#N)c3)cc2)c1	524355355	CILZFIMUXRRXPG-FQEVSTJZSA-N	413.521	5.348	30	20	HKED	
N#Cc1ccc(-c2nnc(CSc3nc(-c4ccco4)nc4ccccc34)o2)cc1	525110385	IGSRTXDAAYLIIU-UHFFFAOYSA-N	411.446	5.104	30	20	HKED	
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	531075804	BAEMFPVODDMVOB-CZTZKLFOSA-N	407.583	6.271	30	20	HKED	
C=CCC[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccc(C(F)(F)F)cc1	532726314	UNDOGYYIUPDMEH-IBGZPJMESA-N	404.411	5.222	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1cccc(Cl)c1	533241674	YVWDCNMTMJYMDG-JKSUJKDBSA-N	401.963	5.366	30	20	HKED	
C=C[C@@H](CC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	535435441	JCKMAZVWHVBKAG-IBGZPJMESA-N	402.469	5.054	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@@H](C#N)c1nc2ccccc2o1	540082104	VSDHRIHLZJVIHR-CQSZACIVSA-N	410.355	5.035	30	20	HKED	
N#CCc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1	544070312	QXVDPEBAADZEFM-HXUWFJFHSA-N	402.325	5.053	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2c2nccs2)cc1Cl	546592791	LZSUNMBAYPMHIH-AZUAARDMSA-N	422.941	5.059	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1	548791087	RVGNLDHPJDPCPY-UHFFFAOYSA-N	416.456	5.102	30	20	HKED	
Cc1nc(C)c(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	553384529	YFOQUTVPUFDBKU-UHFFFAOYSA-N	406.511	5.097	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2ccc(F)cc2F)cc1	557705348	RAIJSJIAQYNIGE-UHFFFAOYSA-N	423.419	5.002	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)o1	562108263	DQHZPSBRVAJSLS-AOMKIAJQSA-N	416.481	5.652	30	20	HKED	
O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	567656524	CQZSVNJCCGYGRI-GFCCVEGCSA-N	411.292	5.135	30	20	HKED	
Cc1ccc([C@]2(C)CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)cc1	569055884	PHEZPCYKCFKDOB-RUZDIDTESA-N	412.493	5.250	30	20	HKED	
O=C(c1ccoc1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	569515558	KXWXZUNXQSXSIT-UHFFFAOYSA-N	409.301	5.418	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1cccc(F)c1	578750587	QFBCODLNMPDMGK-MWTRTKDXSA-N	416.456	5.500	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3ccnc(C(F)(F)F)c3)no2)c2ccccc21	584436835	FBWFIHAAQHVZLT-VOTSOKGWSA-N	409.371	5.189	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1	589739940	CWIISFQMMFLWCO-UHFFFAOYSA-N	422.504	5.267	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1	592502124	GKBNQSZZKXHAHB-NRFANRHFSA-N	418.368	5.032	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Oc1cccc(F)c1	603533882	AKGZLCUMPOFBBH-KRWDZBQOSA-N	406.432	5.146	30	20	HKED	
C=CCN(C(=O)CC1CCOCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	604935488	MEVYQCGHEARLIM-UHFFFAOYSA-N	418.562	5.813	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nc2sc(C)c(C)c2c1=O	607288200	XBUYEDLPBWYOAK-HNNXBMFYSA-N	423.563	5.769	30	20	HKED	
O=C(Nc1ccc(CC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	608320588	QHHCNHULZZRNOU-QWRGUYRKSA-N	422.291	5.386	30	20	HKED	
C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1F	608847607	SRDQXRHRDYVKNC-GOSISDBHSA-N	404.460	5.559	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)CCc1ccco1	609078998	VWJFFTPRBSEUBT-GOSISDBHSA-N	403.482	5.182	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1	609221826	BCUVMSWKHBYSBR-GOSISDBHSA-N	413.521	5.914	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	609297271	ZUKMSRUMQFEOLQ-CQSZACIVSA-N	410.395	5.601	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C	609297365	MVPBTTCPVPANFV-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc4ccccc4n3CC#N)s2)cc1	609343623	NZECBPHRWAPTGV-INIZCTEOSA-N	414.534	5.396	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](c1ccccc1)C(F)(F)F	609505094	NAWRTJMXHIGNKP-FQEVSTJZSA-N	411.383	5.121	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F	609696669	JEQRHCCWIQUHFR-VQIMIIECSA-N	406.457	5.274	30	20	HKED	
CC(C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	609711555	AFWRTLWWLQKCCF-KRWDZBQOSA-N	410.930	5.509	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)CSc3ccc(C#N)cc3)s2)cc1	610050586	DBIJIFGMEULTGV-KRWDZBQOSA-N	421.591	5.610	30	20	HKED	
CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	610331089	RBSRHBUWJKXAOZ-YLJYHZDGSA-N	417.431	5.209	30	20	HKED	
COc1cccc([C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c1	610355041	FUKXGUPTDNYPLI-WAIKUNEKSA-N	419.912	5.370	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c(Cl)c1	611092854	QOYPCVYMVFKAIL-UHFFFAOYSA-N	416.333	5.495	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1sc(-c2ccccc2)nc1C(F)F	611186964	ZBKCWSTYBUUYHK-ZWKOTPCHSA-N	423.488	5.660	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)c1	611355634	FRZCWTWQGWZSJO-QZTJIDSGSA-N	424.928	5.283	30	20	HKED	
Cc1cc(N[C@H](C)c2cccc(C#N)c2)nc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)n1	611932599	WBSNNCLVXZHMAQ-GUDVDZBRSA-N	410.525	5.113	30	20	HKED	
C=CCN(C(=O)c1ccnc(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	615919818	OGYBRMOJVLZETM-UHFFFAOYSA-N	412.518	5.408	30	20	HKED	
Cc1cccc(Cc2sc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)nc2C)c1	618445221	RVMQXVJHWPDJKT-UHFFFAOYSA-N	416.333	5.782	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674562891	FZFZEHDVMQHJDT-OCAPTIKFSA-N	412.227	5.049	30	20	HKED	
CCc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	676954784	ZNLDZWJEUIKOLN-PJXYFTJBSA-N	400.338	5.419	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(OCC(F)F)c2)cc1	726696261	NBZPSUVQPQYJPX-JOCHJYFZSA-N	421.447	5.308	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1	727934972	KLSCBRATXWLXMW-UHFFFAOYSA-N	414.490	5.187	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4cc(Cl)ccc34)n2)cc1	727955585	IBBSHCVTEKJBAI-GOSISDBHSA-N	421.909	5.372	30	20	HKED	
C#Cc1cccc(N(C)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1	728481906	UABRSMCZUOUWFT-UHFFFAOYSA-N	408.910	5.220	30	20	HKED	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)CC1	731400943	YSDNXOUYUITYJL-LJQANCHMSA-N	422.598	5.639	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC(F)F)cc2)ccc1OC	733615777	WJGMUPJEHCEDBJ-HNNXBMFYSA-N	421.469	5.013	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1	733845494	SFLSEXNQLPULNM-MRXNPFEDSA-N	403.935	5.455	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccnc3)c2c1	734307851	UQOVUTSEGTZRFS-XFXZXTDPSA-N	420.472	5.320	30	20	HKED	
C=CC[C@H](NC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccncc1	734661647	OSCGYDULISNAIM-SFHVURJKSA-N	412.946	5.284	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739749734	LPLGXGNXSODGIC-UHFFFAOYSA-N	412.518	5.019	30	20	HKED	
C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)c1)C(=O)O	741843798	QLMLRAXGJIFFPX-OMPYUXFZSA-N	410.413	5.089	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	746439893	RLJZGUGFLIYCQY-ZBEGNZNMSA-N	417.305	5.191	30	20	HKED	
Cc1noc(C)c1[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	750397569	OIHSAPDOGWFCPM-XPTSAGLGSA-N	420.321	5.702	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(F)cc1F)C(=O)Nc1ccccc1Oc1ccccc1	752477474	QNHUOWWCWRSIDC-LJQANCHMSA-N	420.415	5.037	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccncc2)s1)c1ccc(OC(F)F)cc1OC(F)F	753133424	CSKJCFHDZQFECU-RQOWECAXSA-N	424.375	5.304	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl	753776368	XTSJNCHNOHCMBB-GOSISDBHSA-N	418.324	5.309	30	20	HKED	
C#CCOc1ccccc1CNC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C	759322121	NOPQSHBAKJIOMM-SFHVURJKSA-N	419.550	5.033	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3OCC#N)c2C2CC2)cc1Cl	760801330	OVKFVPZBKVVZET-UHFFFAOYSA-N	424.863	5.005	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)NCc3csc(-c4ccco4)n3)c2)s1	763627646	QCBCQSNTTMZIHK-UHFFFAOYSA-N	420.519	5.003	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)c2)s1	765272087	VUTIPCIVIBWZLZ-RBBKRZOGSA-N	417.534	5.006	30	20	HKED	
CCCOc1c(Br)cc(C=Nn2c(CC)nc3ccccc32)cc1OC	767374408	VTTXBJHNQJWCNA-UHFFFAOYSA-N	416.319	5.041	30	20	HKED	
C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1cccc(OCc2ccccc2)c1	769894938	BIKXANFHGCMTRL-GOSISDBHSA-N	406.913	5.672	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)ccc1OC	770609849	AIWYGFJOPNSLFV-UYAOXDASSA-N	421.541	5.236	30	20	HKED	
CCCN(C(=O)c1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)C(C)C	771524352	FNKQFZZTUVTSPX-UHFFFAOYSA-N	422.529	5.274	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)csc1Br	772162301	RFGRGTRHGOOOMO-QGZVFWFLSA-N	411.324	5.727	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)ccc1OC	772979867	OFLPWWTULCZDHI-NTKDMRAZSA-N	400.522	5.894	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3c(Cl)cc(Br)cc32)c1	772983828	MBXBPRRJFUIALS-YWZLYKJASA-N	419.750	5.561	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1	774039172	VYBAOBWDXJJZKN-QGZVFWFLSA-N	412.411	5.522	30	20	HKED	
N#CCOc1ccccc1C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	774186511	HZPPYYNJKHBILK-GOSISDBHSA-N	408.807	5.142	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	774322286	YUZIWPCJXVNBQW-RCCFBDPRSA-N	424.472	5.302	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCc3nc4ccccc4n3-c3ccccc3)[nH]c12	778308349	RTIFISDRLCVLLB-IBGZPJMESA-N	419.488	5.019	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cn1	780643053	LKQTYLKMCSKTSJ-INIZCTEOSA-N	424.957	5.011	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccncc1	780714997	CZBFFTZVFQIOSJ-MRXNPFEDSA-N	402.372	5.287	30	20	HKED	
Cc1c(O)ccc2c(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc(=O)oc12	782230042	DCPKGZDSCMWCMO-QGZVFWFLSA-N	410.473	5.197	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1	782695185	IFJCSBHPQMLRJX-UHFFFAOYSA-N	405.454	5.074	30	20	HKED	
CC(C)(C)OC(=O)N1CCC([C@H](NCc2cccc(C#N)c2)c2ccc(F)cc2)CC1	782756437	IWVDMQARYULSGE-HSZRJFAPSA-N	423.532	5.175	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccsc1)C(=O)Nc1ccccc1Oc1ccccc1	783353209	RWAWISLIZJXHOR-IBGZPJMESA-N	404.491	5.211	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1	793124227	KFLKLKKEKPBYGU-ROUUACIJSA-N	406.894	5.400	30	20	HKED	
COC[C@@H](C#N)OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1	796014296	FSYDGWRWCLQLHN-LLVKDONJSA-N	400.645	5.134	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCCCC1(C#N)CCOCC1	800120592	UJFIXHYOEFMUSQ-UHFFFAOYSA-N	404.919	5.029	30	20	HKED	
C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C	808753651	YLLMXFUQHYKTAC-KELUXRKGSA-N	423.513	5.237	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1	813215407	XZBGLQAMLQBOCJ-CABCVRRESA-N	400.322	5.489	30	20	HKED	
N#Cc1ccccc1-c1ccc(COC(=O)CCc2ncc(-c3ccccc3)o2)cc1	818110761	SFIVZHRMODXGFE-UHFFFAOYSA-N	408.457	5.556	30	20	HKED	
C[C@@H](Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(CN(C)C)c1	864018525	JDYXHMWEODGCRQ-CYBMUJFWSA-N	422.388	6.211	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1	915085916	CUZPGJLJNLJIHL-LJQANCHMSA-N	414.490	5.025	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2cc(-c3ccc(C)cc3)no2)cc1OC	915212814	CWUNUGIEQIMQLJ-UHFFFAOYSA-N	400.862	5.261	30	20	HKED	
CC[C@H](C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)S2)cc1	916232719	OARUEPOAGNYNCN-UGSOOPFHSA-N	415.946	5.101	30	20	HKED	
COc1ccccc1CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1	916679915	AZUFLMGTQCXNOE-XMMPIXPASA-N	411.505	5.547	30	20	HKED	
Cc1cc(C)c(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C	916906560	DPVJFEVQSOOWQE-OILJVOJPSA-N	424.500	5.765	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(OC)cc1	916951763	BRCOTYYEEVHKLL-IBUXMESJSA-N	416.477	5.145	30	20	HKED	
Cc1ccc(OCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	917044662	TUPQCSTXSMIDNT-INIZCTEOSA-N	418.440	5.577	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(C4SCCCS4)cc3)c2C#N)C1	921191154	STTNUDBOEXSIKZ-ZDUSSCGKSA-N	414.621	5.866	30	20	HKED	
CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1	1786041106	JKHKFOSFGYHORG-UHFFFAOYSA-N	417.553	5.061	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826268647	JSXSXNCWGYHBQC-DNQXCXABSA-N	414.634	5.345	30	20	HKED	
C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)N(CCC#N)c1ccccc1	7652886	HANLPYQSKAOYIT-AWEZNQCLSA-N	412.898	5.047	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(C)c2C)cc1	22729430	OUCZNTWNWPSCLP-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2	41021328	PNSRKTMXLBOXIS-UHFFFAOYSA-N	411.914	5.378	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccccc2Cl)o1	62905253	OFIIXMQCGSJKLJ-UHFFFAOYSA-N	405.885	5.014	30	20	HKED	
Cc1[nH]c2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cc2c1C	65118753	BWWXJTXLIKXJGS-UHFFFAOYSA-N	411.530	5.738	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3[nH]c4ccccc4c3Cl)c2)c1	65504466	VKFONSFYFHUSEB-UHFFFAOYSA-N	414.852	5.198	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)c2)c1	107926037	NDEKSTWDSOSOBE-PMACEKPBSA-N	402.416	5.444	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2n1	216395617	IWWQWJKUHRJXEG-SFHVURJKSA-N	403.894	5.810	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)C1CC1	303294032	BIPFEZDEXKLEKX-MRXNPFEDSA-N	413.974	5.337	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2cc(Br)ccc2[nH]1	303421872	YRULKOFPAPSWCL-LBPRGKRZSA-N	414.328	5.434	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	303645732	IPKBLTQVNGQTLJ-PMERELPUSA-N	422.525	5.354	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1	303810338	BVWYRYSAKMWPQI-OAQYLSRUSA-N	414.981	5.293	30	20	HKED	
CC(C)c1ccc(-c2nnc(SCc3nnc(-c4ccc(C#N)cc4)o3)o2)cc1	303860222	GJVMGCRKNFXIMK-UHFFFAOYSA-N	403.467	5.074	30	20	HKED	
CN(Cc1cccc2[nH]ccc12)C(=O)c1ccccc1SCc1ccc(C#N)cc1	427969589	JUHFXAAYLVZUEU-UHFFFAOYSA-N	411.530	5.604	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)c2cccc(SCC#N)c2)c(C(F)(F)F)c1	429801256	LPCXODXCTCDXIN-CYBMUJFWSA-N	424.513	6.464	30	20	HKED	
CN(C(=O)Nc1cccc(C#Cc2ccccc2)c1)[C@H](c1ccccc1)c1ncc[nH]1	432695651	MIYKQBWHDYDQII-XMMPIXPASA-N	406.489	5.063	30	20	HKED	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433611792	AXJMTWKXBPSHPB-OAHLLOKOSA-N	408.317	5.131	30	20	HKED	
C[C@@H](c1nnc(SCCCCC(C)(C)C#N)n1-c1ccccc1)N1CCCCC1	436141336	NQMMRFRVYXBRNQ-IBGZPJMESA-N	411.619	5.626	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(Cl)c1	438883646	DASHEXHILYIMSG-UHFFFAOYSA-N	405.914	5.579	30	20	HKED	
CC(C)(NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(Br)cc1	440074753	HPGFAQUUZGMPHZ-GOSISDBHSA-N	400.320	5.028	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2Cl)cc1	445052991	IUTRBDJCNJXHDW-UHFFFAOYSA-N	402.882	5.079	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)o2)c1	445991701	MQROYHWOKPOOQL-RBUKOAKNSA-N	412.415	5.053	30	20	HKED	
C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	460202501	AWLUDRWZUWVQGO-IBGZPJMESA-N	411.505	5.420	30	20	HKED	
C[C@@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccs1	461493288	BQCJUAOFUOFNSY-AWEZNQCLSA-N	417.991	5.072	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccccc2)cc1Cl	463388632	BZOYNKQIQIOPHZ-FQEVSTJZSA-N	412.880	5.638	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)c1ccc(Br)s1	463761125	UBWONZSPEJLLIE-SWLSCSKDSA-N	405.361	5.293	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1	464494134	IVTVKAKNOCFHDB-UHFFFAOYSA-N	408.807	5.418	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(C2CCCCC2)no1	464713073	QIDZOPMYZRGXMN-MRXNPFEDSA-N	400.482	5.147	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1cccc(F)c1	468429093	SWRGGYMYABYKPA-QGZVFWFLSA-N	416.452	5.124	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(Br)ccc2NC(C)C)cc1OC	470079598	QZGBGPKWTUMVLV-UHFFFAOYSA-N	419.319	5.095	30	20	HKED	
CC(C)(CCCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470774486	UPPDCAGRONVFKA-UHFFFAOYSA-N	417.553	5.257	30	20	HKED	
CCC(=O)c1ccc(Cl)c(NC(=O)c2occc2COc2cccc(C#N)c2)c1	471397065	SMCDYCBGPUGZCV-UHFFFAOYSA-N	408.841	5.229	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)CC1(O)CCCC1	474604206	GMQDBYGPROJUTI-IBGZPJMESA-N	423.582	5.278	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2	476092219	WEGKKWXXPWMPRE-FRGLQRNOSA-N	419.565	6.003	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1Cl	476507104	GOQLNJGGTWWXNM-REWPJTCUSA-N	415.924	6.017	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1C1CC1	480293966	MTXSJQUYMYUXFO-UHFFFAOYSA-N	412.603	5.709	30	20	HKED	
COCCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)c1ccccc1	482382070	DMYHZRVMIAOSSX-IBGZPJMESA-N	400.478	5.200	30	20	HKED	
C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc2ncsc2c1	485980364	MUKMGIMCPYESQW-CYBMUJFWSA-N	419.535	5.098	30	20	HKED	
CSc1cc(O)ccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	486240636	BHGCXJLJFDPBLI-UHFFFAOYSA-N	419.506	5.403	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1F	486566180	XUJTYINMKWUGOE-IMWZJCIKSA-N	420.484	5.150	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(C)cc1	489640761	BJHJFHKMOPYZFP-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2SC)nnc1-c1ccc(C)cc1	489663904	WTYCWKGPVJEJLE-UHFFFAOYSA-N	424.595	5.282	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)cc1	490646509	GPCZFPMYLMRWIG-UHFFFAOYSA-N	417.534	5.018	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc2cc(Cl)ccc2s1	492120636	CFYHYDYVTZVRRR-NSHDSACASA-N	401.925	5.625	30	20	HKED	
Cc1sc([C@H](C)NC(=O)NCc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1	497608504	RAQMZPZQNILPQK-ZDUSSCGKSA-N	410.930	5.204	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(OCCCC2(C#N)CCOCC2)cc1	499972381	JXGFFTAHSKEUMM-UHFFFAOYSA-N	412.917	5.096	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C)ccc1OC	502672161	VJEUUEBKVMLXLS-UHFFFAOYSA-N	407.283	5.125	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cc1	503870828	ICBMDKHQRBFEEA-UHFFFAOYSA-N	419.484	5.346	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccco2)s1	504911538	HVDNOXXBUIHCNR-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ncc(-c2cccc(Cl)c2)o1	505328118	CCHPONKCKMACHT-UHFFFAOYSA-N	422.941	5.656	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1	505541170	VTUFVMXYEMVXSR-MRXNPFEDSA-N	424.715	5.236	30	20	HKED	
COc1ccc2cc(CN(C)C(=O)Nc3cc(C#N)ccc3OC(C)C)ccc2c1	507769695	JROIAXBXULYOSU-UHFFFAOYSA-N	403.482	5.171	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1	508437415	QWJLDBPPYFFAJO-UHFFFAOYSA-N	422.847	5.176	30	20	HKED	
CCN(Cc1cn(Cc2ccccc2)nc1-c1cccnc1)[C@@H](C)c1ccc(C#N)cc1	508602907	HDAZMKVBKTVNDA-NRFANRHFSA-N	421.548	5.448	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC1(c2cccc(C#N)c2)CC1	512042334	XQQROJIXUFYYDX-CYBMUJFWSA-N	421.850	5.226	30	20	HKED	
Cc1[nH]c2ccc(CNC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc2c1C	516605586	LHOHOMQUOBVNIM-UHFFFAOYSA-N	411.465	5.165	30	20	HKED	
CC(C)(C)[C@@H]1CCc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2C1	516769296	DZXLTXYTYNQLMZ-IAGOWNOFSA-N	421.591	5.908	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccccc1Br	517520701	SRLOVHYYBAYFRY-CQSZACIVSA-N	419.344	5.251	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)cc1	518306477	MOXGBQQIGUBCRH-UHFFFAOYSA-N	421.541	5.089	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	519492729	WKULBSMRYGFYCZ-UHFFFAOYSA-N	407.267	5.674	30	20	HKED	
COc1ccc(CN2CCC([C@H](F)c3ccccc3F)CC2)cc1OCCCC#N	519535573	ANLCAYGFWRHGAM-DEOSSOPVSA-N	414.496	5.440	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(Cl)c1	520724549	RMQPFHCNNFOTTN-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1	520743468	CJSJPHVSKAKAHM-OAQYLSRUSA-N	417.440	5.307	30	20	HKED	
Cc1nc2ccccc2nc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N	520832752	QYTGHXBQQAXETQ-OAHLLOKOSA-N	422.579	5.204	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	521106340	KOAQFOXRKAPKEX-UHFFFAOYSA-N	416.477	5.595	30	20	HKED	
C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	521114690	GALWYHGCSSJMEU-TXTKFYIRSA-N	417.553	5.022	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)nc2cc(Br)ccc12	521726672	HCFRGSKNBVTCJR-UHFFFAOYSA-N	420.310	5.006	30	20	HKED	
N#Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2ccco2)ccc1OCC(F)(F)F	524662565	SFEBOFYIPKWCBU-IBGZPJMESA-N	415.371	5.003	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C1CC1	534085025	YWXANEQLZCLLOL-INIZCTEOSA-N	400.482	5.648	30	20	HKED	
C=C(C)[C@H](CC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)OCC	535912007	WWEOZGNBPYWHJG-GUYCJALGSA-N	423.376	5.121	30	20	HKED	
CC(=O)N(c1nc(CN(CCC#N)CC2CC2)cs1)c1c(C)cc(C)cc1Cl	535961877	ASDPWQXRLZDWND-UHFFFAOYSA-N	416.978	5.224	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2Cc2cnc3ccc(C#N)cn23)nc1-c1ccccc1	536658933	VHYZMHPVLWBQSH-NRFANRHFSA-N	411.509	5.321	30	20	HKED	
C[C@H](N[C@@H](Cc1ccccc1)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2	541593456	KDAFDEAUIYIZMV-KXBFYZLASA-N	421.591	5.071	30	20	HKED	
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(Cl)c1	542063863	ODTXLATVXPSLTM-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	549063089	CIZIEOKONMLZGV-UKILVPOCSA-N	410.521	5.285	30	20	HKED	
Cn1c(Cc2cccs2)nc2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)ccc21	554017004	RYPISYJGHGNUNV-HXUWFJFHSA-N	422.513	5.264	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)c2)cc1	567033728	APOHPXAUJHNBMZ-QHCPKHFHSA-N	401.510	5.128	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1	567493566	CRODPLQHBMUCNS-QFIPXVFZSA-N	403.526	5.028	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)o1	571306713	CFGIRYFWJNMWDF-YTFSRNRJSA-N	412.489	5.139	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccccc2)c1	571730014	QJZUBIQLBXGBDK-HXUWFJFHSA-N	417.557	5.076	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1F	574124574	XZFUQHKVSGVQMF-FGZHOGPDSA-N	421.472	5.055	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1	589738839	ATTCIEFLOBXWFY-LJQANCHMSA-N	417.509	5.498	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cs1	589829946	AKSRKDSUWBTQJN-CQSZACIVSA-N	408.433	5.353	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cs1	589830434	JWHMDOAULUXSIH-QGZVFWFLSA-N	401.516	5.732	30	20	HKED	
CCOc1ccc(CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C(C)C)cc1	601187362	LWYPCHCUNFPTBN-UHFFFAOYSA-N	413.521	5.323	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1	603656336	MDUSVXLAIANMPT-UHFFFAOYSA-N	401.432	5.703	30	20	HKED	
CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603689525	OHTZLCWHEZAUQB-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
CSc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)ccc1NC(C)=O	603996647	MPGAOXVCMXYDDA-UHFFFAOYSA-N	413.568	5.211	30	20	HKED	
Cc1cccc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c(Cl)c12	604005483	YJDYNKMBOALJDO-CYBMUJFWSA-N	409.923	5.872	30	20	HKED	
Cc1noc2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc12	604203264	MLTQMBJEGJNWRX-LJQANCHMSA-N	402.841	5.092	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	609376587	DCLKVXYPVOJGHS-SFHVURJKSA-N	423.582	5.453	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](C)c1cccc(F)c1	609694640	ONSGQISWWWTAJC-QGZVFWFLSA-N	402.469	5.717	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1	609694660	WLIALFZUINFAPY-SFHVURJKSA-N	402.469	5.603	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](Cn3cccn3)c3ccccc3)c2)cc1	610167287	ZDNLNYFBZLXMRH-XMMPIXPASA-N	423.476	5.110	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)cc2)cc1	610325811	NZPHPIJXDVWEPM-GOSISDBHSA-N	415.493	5.422	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c3cccc(C#N)c3)s2)cc1	610356327	OXQJNRYETNLCKC-FUHWJXTLSA-N	418.566	5.762	30	20	HKED	
Cn1cc(CNc2ccc(C(F)(F)C(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1	611720937	ADBSLIFYNCYDCJ-UHFFFAOYSA-N	406.358	5.225	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](CC(F)(F)F)c1ccc(Br)cc1	612574881	PANDYCQWEZKXFU-OALUTQOASA-N	423.276	5.981	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)cn1)c1nc(-c2ccc(Cl)cc2)cs1	613320472	ZJXXQDLBQGOYQO-CYBMUJFWSA-N	407.804	5.367	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(F)cc1	613402562	CRZSWLDKDJWABT-OAHLLOKOSA-N	410.861	5.073	30	20	HKED	
COc1cccc(OC)c1Oc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)cn1	613413713	AUYNIKHUXXNCKA-UHFFFAOYSA-N	418.497	5.067	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N1CC[C@](F)(C#N)C1	615537367	VGEVMAWIFOHZTN-QHCPKHFHSA-N	423.467	5.201	30	20	HKED	
CC(=O)N1CCCCC[C@H]1C1CCN(c2c(C#N)cnc3ccc(C(C)C)cc23)CC1	618584149	GTWPTHJWNWBAHM-VWLOTQADSA-N	418.585	5.237	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1	619579380	ZWBCLIJKPQITHE-DNQHQPOYSA-N	418.537	5.142	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2c(C)cccc12	619753785	HYCORSSEYFQXSU-CQSZACIVSA-N	414.408	6.168	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3cccc(C#Cc4ccccn4)c3)cs2)cc1	626614961	JYDUZWKPQLOLMR-UHFFFAOYSA-N	409.514	5.095	30	20	HKED	
Cc1ccccc1CN(Cc1cccnc1)C(=S)Nc1ccc(C#N)c(Cl)c1	726474090	YNMJLRRDHCDERA-UHFFFAOYSA-N	406.942	5.314	30	20	HKED	
CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(OC)cc2)n(C2CCCCC2)c1=S	726961708	NWBGQVGLTGNPCG-QGZVFWFLSA-N	413.591	5.034	30	20	HKED	
C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1Cl	727491366	QKGYDBMDYWVMAT-WOJGMQOQSA-N	412.923	5.182	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)c(Cl)n1C	727997195	UHXNACZATOTDQZ-UHFFFAOYSA-N	414.292	5.343	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2n1	730395273	SPXBXFWNRVRPCJ-SQJMNOBHSA-N	412.489	6.084	30	20	HKED	
CC(=O)c1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	730954970	QDTKPHGDNWUWIB-UHFFFAOYSA-N	423.485	5.723	30	20	HKED	
CCCC[C@@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)Nc1cc(C)on1	732916583	UZQNLPMCCRRVEO-FCHUYYIVSA-N	402.498	5.248	30	20	HKED	
COCCOc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	733621082	HQBIABUHJYVLRY-QHCPKHFHSA-N	401.466	5.011	30	20	HKED	
Cc1cc(C(=O)N2CCCSC2=Nc2ccccc2)ccc1NC(=O)CC(C)C	741882898	JLUVOEJDKVMBFL-UHFFFAOYSA-N	409.555	5.246	30	20	HKED	
O=C(/C(=C\c1c[nH]c(-c2ccccc2)n1)c1nc2ccccc2s1)c1ccccc1	742429187	JIOOPKOYUIYSEY-HMMYKYKNSA-N	407.498	6.110	30	20	HKED	
C=CCOc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1	744761372	IFYIRRREXYQVMV-UHFFFAOYSA-N	422.554	5.025	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)s2)c(C)c1	747112081	OTKKACCFNBIRNA-KRWDZBQOSA-N	409.898	5.042	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1cccc(Cl)c1	750681923	SEVRWQICDPDFLR-HMWXGYMHSA-N	423.925	5.209	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CC)c2ccc(Cl)s2)cc1C#N	752295558	VYGHBOFIYVLQCV-ZDUSSCGKSA-N	406.895	5.114	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)Cc1cccc(OCC#N)c1	760415414	JTJVBKJMDUHHFM-UHFFFAOYSA-N	420.440	5.019	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Cc2cccc(OCC#N)c2)cc1	760492258	UOJRNFPAAXETHX-LJQANCHMSA-N	414.505	5.027	30	20	HKED	
COc1cc(/C=C2\CCc3nc(O)ccc3C2=O)ccc1OCc1ccc(Cl)cc1	769608667	FEXXSWCENMXBID-SFQUDFHCSA-N	421.880	5.241	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](c1ccccc1)C1CCOCC1)c1ccc(F)c(F)c1	773288330	AMZNSOYGYHIJIJ-FGZHOGPDSA-N	400.469	5.049	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc2)CC1	776759094	XHASVJBGYZOIPD-UHFFFAOYSA-N	415.880	5.400	30	20	HKED	
COc1sc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)cc1Br	777468700	WFAQYBSLXOWRFC-YWEYNIOJSA-N	418.234	5.146	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	779713172	QHUGFUZRUAZNEL-NWDGAFQWSA-N	403.269	5.507	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1	781034398	KDDAXQQXUPSMRO-QGZVFWFLSA-N	411.461	5.290	30	20	HKED	
C#CC[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)s1)c1ccccc1	784399304	YQTVDPQQKYYFTE-HOTGVXAUSA-N	403.345	5.122	30	20	HKED	
CCSc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	784824187	CNTNAWMSGLKNFN-QFIPXVFZSA-N	415.518	5.031	30	20	HKED	
O=C(/C=C\c1ncc(C(F)(F)F)s1)c1cc2cc(Br)ccc2o1	788347558	BOTHCZZPYOOGGV-RQOWECAXSA-N	402.191	5.567	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2cccc(CSCc3ccccc3)c2)n1	788605811	PRJTYFJERXMHNI-UHFFFAOYSA-N	418.566	5.004	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1	792094641	OYNUKCKCGUIKMM-UWJYYQICSA-N	421.541	5.084	30	20	HKED	
C[C@H](c1ccccn1)N(C(=O)C[C@H](CC#N)c1ccccc1)c1ccc(N(C)C)cc1	796906728	SOICDNBRNSQPPI-IRLDBZIGSA-N	412.537	5.329	30	20	HKED	
N#CC1(CCCSc2nn(-c3ccc(Cl)cc3)c(=S)s2)CCOCC1	798366279	PWHBLXXAWQLUGS-UHFFFAOYSA-N	412.005	5.509	30	20	HKED	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	801611335	FFKIBYQYVOSPOX-DEOSSOPVSA-N	413.521	5.882	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2OC)c1	806808576	IGJPRUMAGSDNCO-KKLQWCBXSA-N	421.541	5.059	30	20	HKED	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)s1	817320120	YDULYIPPEALOAX-KRWDZBQOSA-N	413.543	5.284	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(C)[C@@H]2CCCc3ccccc32)c1=S	818259339	CGVOPVDTEQRRDU-OAQYLSRUSA-N	420.582	5.243	30	20	HKED	
N#Cc1cccc(OCC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1	916411428	VMYHAFYUKHKEKH-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3coc4cc(C)c(C)cc34)n2)cc1	916650302	BQXDPDSBQQZHKF-HXUWFJFHSA-N	400.503	5.901	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	916681854	ZXTVMICCNNUYEI-ZHRRBRCNSA-N	405.448	5.845	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCC[C@H]2c2ccccc2Cl)c1=S	917482048	DNLIENOTXKKRKK-KRWDZBQOSA-N	400.935	5.308	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2	917782857	FMMXANKFZDVJJC-UHFFFAOYSA-N	409.486	5.634	30	20	HKED	
C[C@@H](COc1cccc(F)c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	918548255	QYORLOUWRLQAHQ-SBUREZEXSA-N	403.457	5.070	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N(C)C)cc1	919899042	SMGSHNYBUFJQJJ-UHFFFAOYSA-N	400.482	5.047	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1	919904631	QHGQNCCXFACNGZ-RPWUZVMVSA-N	415.493	5.148	30	20	HKED	
N#Cc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c1	921155366	MBEUFWYVQKPNNU-UHFFFAOYSA-N	412.367	5.387	30	20	HKED	
C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc2nc(O)oc2c1	1287385443	MVFGODMAXSVTOS-AWEZNQCLSA-N	415.474	5.047	30	20	HKED	
C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1	1792265361	PLUIGHKQUUIEPZ-UHFFFAOYSA-N	415.320	5.155	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(F)c(Br)c2)S1	7165126	UPVCFOJEPOHHNE-OQLLNIDSSA-N	405.292	5.097	30	20	HKED	
CC(=O)N(c1nc(CSc2nc(C)cc(C)c2C#N)cs1)c1ccc(C)cc1C	10266924	MLAVYHIKMYZGIQ-UHFFFAOYSA-N	422.579	5.620	30	20	HKED	
Cc1cc(C)c(C(=O)/C(=C(\S)Nc2c(C)cccc2C)[n+]2cccc(O)c2)cc1C	11153379	DWKIRJPOZJEWBT-UHFFFAOYSA-O	419.570	5.273	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1	22444153	QQKQKLYKIGKMSJ-UHFFFAOYSA-N	405.857	5.038	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc(Cl)c1OCCC(C)C	41547182	WLYMXCSJTZTZST-OAHLLOKOSA-N	412.873	5.405	30	20	HKED	
O/C(=N\c1nc(-c2ccccc2Cl)n[nH]1)c1ccc(C2SCCS2)cc1	97334941	PIVSJLRZINVYIG-UHFFFAOYSA-N	402.932	5.240	30	20	HKED	
CCN(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)[C@@H](C)c1ccc(C#N)cc1	139905859	XTRGZSLSXXEMTD-ZDUSSCGKSA-N	401.297	5.498	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)c1cnn(C(C)C)c1	214919568	OXPBJUYRXMHWLL-HJWRWDBZSA-N	403.313	5.220	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(CC(F)(F)F)cc3)c2)cc1	303823753	FKFDOTHGSHCMFY-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl	304054808	PKBLMDRDDBVSHI-UHFFFAOYSA-N	416.880	5.118	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1NC(=O)c1ccccc1	435435711	BTTGWEDZLGSENH-UHFFFAOYSA-N	413.477	5.159	30	20	HKED	
CCOCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	437840502	JZXCRIPOEKHHJB-UHFFFAOYSA-N	401.466	5.840	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2o1	438050236	DDZDQBVMMQRPJR-FDDCHVKYSA-N	408.498	5.027	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccccc1	439309001	BZDJDGWLGOLCIB-IBGZPJMESA-N	404.495	5.167	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1cccnc1)c1ccc(C(F)(F)F)cc1	441539000	XOSZUJAFSWVHTO-WOJBJXKFSA-N	403.448	5.654	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	442070429	BISCQQPXLZKSJL-LLVKDONJSA-N	420.416	5.291	30	20	HKED	
C=C[C@@H](Cc1nc(CC(=O)Nc2cccc(Cl)c2Cl)no1)c1ccccc1	445379821	GSHMFKTTXCGTFM-ZDUSSCGKSA-N	402.281	5.070	30	20	HKED	
COc1ccc(CNC2(c3c(Cl)cccc3Cl)CCC2)cc1OCCCC#N	447061796	VIKNZUNFVXIDQM-UHFFFAOYSA-N	419.352	5.854	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl	464826576	ZKQOIFJWRSZOHT-CRAIPNDOSA-N	422.743	5.357	30	20	HKED	
C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Cc1cccs1	466134708	QMPYLRIUEJPFQO-GOSISDBHSA-N	421.541	5.349	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cncc(-c4ccccc4)c3)c2)c1	466296858	JCCCKYZPFZVMKF-UHFFFAOYSA-N	418.456	5.125	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(-c2ccncc2)cc1	469996454	NQYNJRPDUGFTJQ-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)n1	474446262	OIFVGZOZRHRAFH-CYBMUJFWSA-N	422.407	5.100	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)o1	479797902	RSCYXBUZOLINMV-UHFFFAOYSA-N	412.474	5.320	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	480268887	UYSJLRJEUSDEHZ-SFHVURJKSA-N	423.904	5.021	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)c1ccc(F)c(F)c1	480750059	MPNPIUPLKXFZAO-JOCHJYFZSA-N	415.484	5.161	30	20	HKED	
C[C@H](Sc1ccccc1Br)C(=O)N(CCC#N)c1ccc(F)cc1	480948517	BHYAJDUWFNZFEZ-ZDUSSCGKSA-N	407.308	5.016	30	20	HKED	
Cc1nnc(-c2ccccc2NC(=O)c2ccc(Sc3ccccc3C#N)cc2)o1	481165428	BPVKQIQFERKHPB-UHFFFAOYSA-N	412.474	5.320	30	20	HKED	
C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481618898	AGIXCXXEGKTRCQ-OAHLLOKOSA-N	409.486	5.563	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2cccnc12	482059010	FZEXFHKEJGWASX-MJGOQNOKSA-N	422.435	5.140	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cc2ccccc2o1	482115968	SROCEXWZJROZJI-GOSISDBHSA-N	410.473	5.820	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)cc2)nc1	482345068	LCQGRPIWCIOFQE-QFIPXVFZSA-N	401.441	5.252	30	20	HKED	
CCS[C@H]1CCC[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	483444027	MTLJSQPWIIADGA-YADHBBJMSA-N	409.555	5.127	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	487229997	WUMXKRFSFALQGK-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)c1ccc(Br)cc1	499726732	QNSYJYHYLCCPEG-UONOGXRCSA-N	403.345	5.586	30	20	HKED	
CC(C)(CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1Cl	500896420	MPKRLEKSECGADI-UHFFFAOYSA-N	410.924	5.324	30	20	HKED	
C=CCn1c(SCc2c(C(=O)OC)oc3ccccc23)nnc1-c1ccc(F)cc1	501588907	MJZCYEGBRNNDQC-UHFFFAOYSA-N	423.469	5.095	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccncc2C(F)(F)F)cc1F	506974573	XNFGAKSOQPBAET-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
COc1ccc(CN(C)[C@H](C)c2ccccc2Br)cc1OCCCC#N	507236692	YUGCBUPMAVJAMP-MRXNPFEDSA-N	417.347	5.333	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1	508865962	XJWCLUGXRNZFMY-QGZVFWFLSA-N	415.463	5.094	30	20	HKED	
COc1ccc(Cl)cc1N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1	510707856	VLIIROPYHRBGIR-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)COc2ccccc2-c2ccccc2)cc1	510962332	QFQBKSZOONWGFL-UHFFFAOYSA-N	424.422	5.195	30	20	HKED	
Cc1ccccc1C1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCOCC1	517519726	MMLWKMLMOOLGDV-UHFFFAOYSA-N	412.489	5.346	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)c(C)c2c1	517533183	UWQMQYXCQPEOQT-GDBMZVCRSA-N	423.538	6.027	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1	518262910	HXHIKASBQMDUAR-SFHVURJKSA-N	417.534	5.924	30	20	HKED	
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	519485181	IPOMBABTQHOTJD-INIZCTEOSA-N	416.333	5.344	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	519516649	WVPOCROFOFHWSO-GJZGRUSLSA-N	410.568	5.390	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1	520972124	WIVMSAHMJWLCMA-UHFFFAOYSA-N	416.893	5.071	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3Cc3cccc(F)c3)cc2)cc1	521110548	MWYFVIHNLLUFCZ-QHCPKHFHSA-N	414.480	5.531	30	20	HKED	
CN(CCC#N)C(=O)c1sc2ccccc2c1CSc1ccccc1Cl	522539840	BGTXHUGTQJKGAD-UHFFFAOYSA-N	400.956	5.833	30	20	HKED	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N	522596968	PGBDBUHVSGOLME-MAUKXSAKSA-N	401.963	5.735	30	20	HKED	
Cc1cccn2cc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)nc12	524008187	BXSOZQDOPQPVIV-OAQYLSRUSA-N	414.896	5.133	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-c2ccc3ccccc3c2)n1	524216004	UWSNCDAGVBXJHG-UHFFFAOYSA-N	423.520	5.200	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C1Cc2ccccc2C1	524440379	KQQUIZQGQBPGQD-UHFFFAOYSA-N	411.505	5.077	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3c(F)cccc3N3CCCC3)c2)cc1	524503467	RNKFDMPNRVEZPL-UHFFFAOYSA-N	415.468	5.129	30	20	HKED	
C=CCn1c(SCc2ncc(CC)o2)nc2sc(-c3ccccc3)c(C)c2c1=O	525198716	OQZMEDWRDDZBNU-UHFFFAOYSA-N	423.563	5.462	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F)C1CC1	533138444	GWGRRDGPJUEKJP-JTQLQIEISA-N	407.408	5.219	30	20	HKED	
COc1ccc(-c2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cs2)cc1OC	533250868	YVXCVPGZMOELBN-UHFFFAOYSA-N	407.539	5.110	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)c1ccccc1	537222981	DSRITNFSTAJQSD-AVRDEDQJSA-N	409.599	5.365	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1	538175077	KWRHHMWQZRCSSH-KRWDZBQOSA-N	412.452	5.326	30	20	HKED	
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(C(F)(F)F)cc1Cl	539359971	VNJRANDDZOPYHV-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
C[C@@H](NC(=O)NCc1ncoc1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	541150997	XPEAGXGTLUMLLS-GOSISDBHSA-N	422.488	5.441	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NCCC(=O)Nc3sccc3C#N)s2)cc1	541662018	GQCGIAPNRTUGCW-CQSZACIVSA-N	410.568	5.040	30	20	HKED	
CC[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)c1ccc(NC(C)=O)cc1	542003127	POOHSRLXCGGWIX-GOSISDBHSA-N	406.429	5.289	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1	542931807	LDNOVWFJAHZPFI-MRXNPFEDSA-N	410.486	5.267	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1	549558697	DCOCDHQIYVWTEP-HSZRJFAPSA-N	413.569	5.193	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	554811104	DQCNPIROUCBVQM-FZKQIMNGSA-N	418.280	5.679	30	20	HKED	
N#C[C@@H](NC(=O)c1cscc1-c1ccccc1)c1ccc(OC(F)(F)F)cc1	564697341	FIKNQGVKRIOLAQ-GOSISDBHSA-N	402.397	5.308	30	20	HKED	
COc1ccc([C@@H](CCC#N)NCc2ccc(Oc3cc(C)ccc3C)nc2)cc1	574028787	HEGGYFURSQQDIY-HSZRJFAPSA-N	401.510	5.634	30	20	HKED	
C=CCOc1c(Br)cc(CN(CC)[C@@H](C)c2cccnc2)cc1OC	577682116	OOUGTMRZUFTWMM-HNNXBMFYSA-N	405.336	5.001	30	20	HKED	
N#CCC[C@H](C#N)CNc1ccc(Oc2ccccc2Br)c(Cl)c1	579819984	IUWSWOPYBRMVHL-CYBMUJFWSA-N	404.695	5.750	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)s2)cc1	580513187	NVUDUIREQFJNLA-OAHLLOKOSA-N	411.552	5.371	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1	588299931	AVOYHZKITOGZFJ-UHFFFAOYSA-N	419.909	5.136	30	20	HKED	
CSCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)oc2ccccc12	603613564	AZTSIKAHRUJFDM-CYBMUJFWSA-N	411.433	5.531	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603693017	SROATVGGFFEFSN-LJQANCHMSA-N	404.495	5.348	30	20	HKED	
CN(Cc1cccc2ccccc12)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603829132	JTTRCQFUOYIPJJ-UHFFFAOYSA-N	408.461	5.563	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Oc4cccnc4)cc3)cc2)c1	609064199	XXHGDCAKHWQJKV-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CC(C)Oc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	609381763	XXNNVVLZDHBQRF-UHFFFAOYSA-N	422.472	5.680	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	609414410	ORWJAJZTXJWWKO-GFCCVEGCSA-N	408.335	5.482	30	20	HKED	
CN1CCC(N(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc2)CC1	609566807	OCDFLLDBUMOJNB-UHFFFAOYSA-N	411.505	5.092	30	20	HKED	
N#C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C1CCCCC1	609648940	HVSFVHOQLRERFI-SFHVURJKSA-N	401.967	5.085	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1	615000015	UDODZASLYATDGK-UHFFFAOYSA-N	420.896	5.087	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1	615002033	UMKKXWILJDRZEQ-GFCCVEGCSA-N	409.338	5.029	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cn2)c1	642322360	BTAVHBZROJGNOV-UHFFFAOYSA-N	419.440	5.229	30	20	HKED	
FC(F)c1cc(N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c2cc(Cl)ccc2n1	673438239	IMWDZZPOJBBSHU-AOOOYVTPSA-N	418.715	6.003	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1Cl	726444869	QKJIVBXWKDHDIG-UHFFFAOYSA-N	422.945	5.005	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	728697872	YPNBYMMGZAYUDB-KMSCOEIWSA-N	413.317	5.911	30	20	HKED	
N#CCCCCNC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1	728850037	KHXBIHVQAAUKCR-PTGBLXJZSA-N	416.546	5.678	30	20	HKED	
N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2ccccc2[nH]1	731136949	YIBPMXOOYUQYAR-OAHLLOKOSA-N	414.328	5.074	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc2c(c1)OC(F)(F)O2	731319979	JEOIALKBANXIGQ-LLVKDONJSA-N	407.467	5.211	30	20	HKED	
C#CC[C@@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccn1	733693271	XQVKIBXLFIPRDX-GOSISDBHSA-N	415.276	5.284	30	20	HKED	
C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740059905	MQQALCWIFYMQOK-OAHLLOKOSA-N	409.942	5.843	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CNc1cccc(Cl)c1SC(F)F	742261716	HWRBHHWNWDMAPJ-UHFFFAOYSA-N	402.253	5.230	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1Cl	743061917	QWRDHYZJZDXKIR-UHFFFAOYSA-N	422.897	5.523	30	20	HKED	
Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1	743152230	OSYGRAORBNHDKL-OALUTQOASA-N	408.571	5.037	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	743474289	SIEHVZDZOHLNRX-FQEVSTJZSA-N	424.504	5.406	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)COCc3nc4ccccc4s3)cc2)cc1	748683211	MCFYWCZXTUOGCF-UHFFFAOYSA-N	416.458	5.082	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccccc2)o1	749026245	LUXZQSIJUHFORF-AWEZNQCLSA-N	415.232	5.340	30	20	HKED	
C[C@@H](CCC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	750312953	LVPWJGMBIOUDNB-WMLDXEAASA-N	405.523	5.036	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(Cl)c1	750691859	BTRNMGHETGKGBL-CECLQJIQSA-N	403.894	5.615	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2s1	756227029	NPGXDFKCKPUGJX-SNVBAGLBSA-N	409.319	5.504	30	20	HKED	
C/C(=C\c1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	756531374	YPYFDRBGINIPNY-PMXLPMHFSA-N	403.894	5.615	30	20	HKED	
Cc1cc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)ccc1Oc1cccnc1	758026954	TVBXABHIZQUMJK-GQCTYLIASA-N	408.504	5.184	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1ccc(Br)cc1Cl	765614024	PPSFRWOBJNCPAO-DUXPYHPUSA-N	405.704	5.517	30	20	HKED	
Cc1cc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)ccc1C#N	766484449	OSHIMWVEEAPFPK-UHFFFAOYSA-N	409.489	5.144	30	20	HKED	
O=C(/C=C/c1ncc(-c2ccccc2)s1)c1ccc(N2CCOCC2)cc1Cl	770573057	WTEXQZFDXJWSDH-CMDGGOBGSA-N	410.926	5.196	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1	772034559	VPZNMTJLACUBCH-TYPHKJRUSA-N	415.578	5.029	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)cc2)cs1	772637908	AJJBOCXNLAXIMH-QAAPOCMNSA-N	400.290	5.402	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](Cc2ccccc2)c2sccc2C)ccc1OC	772986216	NZKWYQBVRYQVRE-VXKWHMMOSA-N	420.578	5.820	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)N[C@@H](CCC#N)c3ccccc3)cccc21	779017095	HONRMAOUSOKENY-NRFANRHFSA-N	419.525	5.149	30	20	HKED	
CC(C)Oc1ccc(Br)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N	780602607	KJBVEKXKQPOWRN-ZDUSSCGKSA-N	418.291	5.171	30	20	HKED	
CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)c2ccccc21	780738304	DJQKEFJJVXHRSA-VXKWHMMOSA-N	407.514	5.492	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2sccc2SC(F)F)n1	782525282	VOURWVQRXOJASU-UHFFFAOYSA-N	410.858	5.026	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccc2ccccc2n1	784486398	LEMCIRWLFNAWAJ-GOSISDBHSA-N	410.395	5.333	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OC(F)F)c1	789620035	BQESWALSTYTWQY-FQEVSTJZSA-N	408.404	5.204	30	20	HKED	
N#C[C@@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccncc2)cs1	802053925	DJJANRRXKCODHJ-GOEBONIOSA-N	405.376	5.111	30	20	HKED	
N#C[C@@H](COC(=O)c1coc(C2CCCCC2)n1)Cc1cccc(Br)c1	802229995	UESCSTOGVKOSSO-HNNXBMFYSA-N	417.303	5.024	30	20	HKED	
C[C@@H](NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1	806181035	KDDWFZHOBIQPAC-GOSISDBHSA-N	421.541	5.127	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	806208502	TVZCOHWURDPFMP-QFIPXVFZSA-N	411.505	5.003	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2ccc(C#N)cc21	810238771	MWUHOLKEGJNPTJ-PKTZIBPZSA-N	403.526	5.560	30	20	HKED	
CCCN(C(=O)c1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1)C(C)C	814674513	QEKGCPSKLDAZBR-JOCHJYFZSA-N	420.557	5.504	30	20	HKED	
Fc1cc(F)cc(C2CC(=NNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)C2)c1	814850411	MSWMSELSFLKUNE-UHFFFAOYSA-N	419.357	5.181	30	20	HKED	
C[C@@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	915101272	GFDXNKSNVPKVPN-IUODEOHRSA-N	400.862	5.246	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)o2)cc1	915107092	LZYNXWKAGWUXHM-INIZCTEOSA-N	420.419	5.204	30	20	HKED	
C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915359371	QVYWAEBRFFDHBC-VGOFRKELSA-N	403.913	5.748	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(C(C)(C)C)cc1	916903233	LUHNWWZGYGMAOX-ORYIKVKISA-N	402.538	5.470	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	916904777	DNOUYPILSILEPF-QGZVFWFLSA-N	419.506	5.328	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3cccs3)nc2C)cc1	916954097	FTZMQAXYELWSFP-CXAGYDPISA-N	423.563	5.655	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1OC	917408531	ULJOPOVRFONMNZ-ZRDIBKRKSA-N	404.466	5.184	30	20	HKED	
N#Cc1ccc(CN(Cc2ccc(F)cc2Cl)c2ccc3nc(O)[nH]c3c2)cc1	1644837786	SDNUVROLSQNVNI-UHFFFAOYSA-N	406.848	5.139	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)ccc3F)cc2)CCC1	1790645507	MVMULYPPFCYONE-HXUWFJFHSA-N	422.500	5.047	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1	1790989517	CPNGNYHTXUHLSN-UHFFFAOYSA-N	413.521	5.028	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CC(=C)C)CC1	1828827248	TXMSWZSYPKESAH-PKTZIBPZSA-N	414.634	5.367	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(CC)cc2)nnc1-c1ccc(OC)cc1	6148071	ZLVOGOYEQATIJW-MRXNPFEDSA-N	407.539	5.066	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1	7148655	YFDBJDHBUDSKGV-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
CCCCOc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OC	7165094	ABRPOBHOHJNZGW-ZHZULCJRSA-N	410.539	5.383	30	20	HKED	
C=C(C)CNC(=S)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1	18144293	MGGKILWSUYJLPD-UHFFFAOYSA-N	413.612	5.212	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(CC)cc2)cc1	22730925	FUOOSFGDXOYGLG-UHFFFAOYSA-O	419.570	5.295	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccco1	28503821	LLSISDPUKSVYBK-CQSZACIVSA-N	416.934	5.114	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)n2)cc1	41513864	CRUKPDUKWYZXDN-CJNGLKHVSA-N	419.531	5.041	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)n2)cc1	41513867	CRUKPDUKWYZXDN-CZUORRHYSA-N	419.531	5.041	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c2cnn(C(C)C)c2n1	41554812	XQFVZFXXNCDTNA-OAHLLOKOSA-N	415.419	5.039	30	20	HKED	
C=CCn1c(SCCOc2ccc(Cl)cc2Cl)nnc1-c1ccncc1	97601683	XKHIGXILGKLBRJ-UHFFFAOYSA-N	407.326	5.004	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	105942568	NJTDOOGNWCJVRM-UHFFFAOYSA-N	416.468	5.586	30	20	HKED	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCCC#N	251632086	RHAPCQJGTYVZIL-XLAORIBOSA-N	414.550	5.389	30	20	HKED	
C=CCn1c(SCC(=O)N(CC)C2CCCCC2)nnc1-c1ccc(Cl)cc1	255933100	CWGWBPMKHIHZHQ-UHFFFAOYSA-N	418.994	5.058	30	20	HKED	
C[C@H](Nc1nc(N[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])s1)c1cccc(C#N)c1	301441571	MMCVZIZCZHXTGI-KGLIPLIRSA-N	418.482	5.141	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)COCc1ccccc1	303002785	NEOCTDSHFJIKDM-LJQANCHMSA-N	416.546	5.292	30	20	HKED	
COc1ccc([C@@H](C)CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	426178730	PNSGMRJSJFONOP-INIZCTEOSA-N	401.466	5.195	30	20	HKED	
Cc1nn(C)c(Sc2ccccc2)c1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430621509	KAWOTBIREUKGPX-OAHLLOKOSA-N	410.568	5.124	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1ccccc1	433179503	TWCSWJJZZCBUCR-INIZCTEOSA-N	409.383	5.323	30	20	HKED	
CC(C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1cccnc1	434182822	KUBSWIMPALNBEI-OAQYLSRUSA-N	401.535	5.274	30	20	HKED	
N#CCCCn1cc(C(=O)N(Cc2cccs2)Cc2cccs2)c2ccccc21	434895441	KKIVTSRIXLNTDJ-UHFFFAOYSA-N	419.575	5.911	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccccc1	434972800	PXJAVWLUVWBCKF-XMMPIXPASA-N	401.510	5.167	30	20	HKED	
N#CCCn1cc(CN2CCC[C@H]2c2cccc3ccccc23)c(-c2ccncc2)n1	435129272	MKYVNDUPWLEPMY-VWLOTQADSA-N	407.521	5.349	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1	436354685	WIYKYNKHIVVVSN-PKOBYXMFSA-N	413.502	5.468	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl	438057488	VAAQTPOOYGGEBF-CRAIPNDOSA-N	407.823	5.662	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(-n2cccn2)cc1	438225571	NMCYGDBPTPHBHL-GOSISDBHSA-N	423.476	5.419	30	20	HKED	
Cc1nc(-c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2)cs1	440446379	UAGHRKGPXDCWFC-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
Cc1ccc(OCc2ccccc2)c(NCC(=O)Nc2ccccc2SCC#N)c1	442138592	PXFPYGZAZNMHBA-UHFFFAOYSA-N	417.534	5.240	30	20	HKED	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	443873298	CIHYUORWZHPJQH-QXWFJRNPSA-N	420.553	5.644	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c2ccccc21	443997648	XZQXAEDXTZOMKZ-UHFFFAOYSA-N	412.371	5.357	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1	444668056	VFHHVECLXUBUEF-NRFANRHFSA-N	409.917	5.074	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)C[C@H](Cc3ccccc3)c3ccccc3)CC2)cc1	460150719	MNCSAZWVMGXHPG-VWLOTQADSA-N	424.544	5.345	30	20	HKED	
C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1	460946208	NPEMZINTUHEVPP-IBGZPJMESA-N	404.562	5.046	30	20	HKED	
C[C@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1)c1cccc(C#N)c1	462025782	RFXXYPBIERMVCP-SFHVURJKSA-N	419.500	5.327	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	462584610	LTEBYPQVOCEJHH-JTQLQIEISA-N	400.319	5.033	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F	471179276	WNPUIUMUSGHGBQ-UHFFFAOYSA-N	405.420	5.274	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCSC[C@H]2c2nccs2)cc1	472107249	AVOKQOCRWBIHNG-SFHVURJKSA-N	423.588	5.096	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc2cccc(F)c2o1	473876541	PMAKMFHTZYXYOY-SECBINFHSA-N	412.305	5.159	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1oc(CC2CC2)nc1C	475359917	FLNTYNPGIYUUBK-UHFFFAOYSA-N	403.457	5.102	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1	475537446	NQKRQVCIUHXCPY-FPOVZHCZSA-N	400.444	5.847	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1	476164978	VHINYBNLBPMPGT-UHFFFAOYSA-N	418.562	5.782	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2	476170694	VRNSLNRNMGLRCV-UHFFFAOYSA-N	403.501	5.604	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](c1cccs1)C(C)(C)C	476370402	RLDWQLFOJBYNIO-QRWLVFNGSA-N	401.601	5.458	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1	477446328	KEYMVDCJMKFOHZ-QZTJIDSGSA-N	411.546	5.879	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	478192693	FFLTVYASNCZVNC-FCHUYYIVSA-N	404.416	5.113	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1	478803129	DMQOINKZAKMUIA-INIZCTEOSA-N	405.527	5.135	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccc(C)cc1	481365381	ARTHCQROTVUPHJ-MRXNPFEDSA-N	410.518	5.006	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1nc2ccccc2s1	483439946	LTMLERLPKMGLFY-INIZCTEOSA-N	418.424	5.296	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1	485466659	XQOLVFHVJQMLNM-UHFFFAOYSA-N	404.539	5.202	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1	486754370	SRDWTQGSSFGJAP-UHFFFAOYSA-N	424.500	5.394	30	20	HKED	
Cc1c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)sc2ccc(C#N)cc12	497705276	FRFSDMFRHHNHBP-MJGOQNOKSA-N	414.889	5.134	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)n1	501426291	VMEPOWPUHNWZPI-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)c1ccccn1	502705244	KBDVMPGBIRAIEK-QGZVFWFLSA-N	413.329	6.171	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc(OCC(F)(F)F)cc1	503753864	IZISBVXMJJDQTA-UHFFFAOYSA-N	410.289	5.107	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Br)c1Cl)c1cccc(C(F)(F)F)c1	504538800	NNNWKXAYMMVRCO-ZDUSSCGKSA-N	417.612	5.116	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OCCC(C)C	505365010	YLVZTVGZPYCOEE-ZWKOTPCHSA-N	409.530	5.113	30	20	HKED	
CCc1ccc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1	508686156	LKUNTBRCIATYDO-UHFFFAOYSA-N	402.445	5.194	30	20	HKED	
CC(C)N(Cc1ccco1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509560145	NLAPNELTEMJNFN-UHFFFAOYSA-N	403.482	5.367	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCc1nnc(-c2ccc(Cl)cc2)o1	510197914	KEHXUQSFTIQDFX-UHFFFAOYSA-N	404.882	5.616	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1	511741353	MVOMDLHMLGZHQP-UHFFFAOYSA-N	406.501	5.090	30	20	HKED	
N#C[C@H](C(=O)c1cccc(C(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	511765526	SGKPITCLMOTHJI-CQSZACIVSA-N	423.271	6.545	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CC1	515218510	SKFVHOQUXCYFOS-QFIPXVFZSA-N	422.960	5.233	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2ccc(F)cc12	516270316	RNHUHKBWGGJOBL-KRWDZBQOSA-N	401.422	5.366	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1	518679540	GLXKHKDOCRJWJQ-UHFFFAOYSA-N	418.884	5.427	30	20	HKED	
CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	519876462	JCQWSWGNMCLMGG-QGZVFWFLSA-N	424.566	5.206	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(CN2CCCCC2)cc1	520196094	XJUSQHIDUYJEMB-LJQANCHMSA-N	422.598	5.388	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCCCC2)cc1	520475587	IQKFRGKNMGQPFS-UHFFFAOYSA-N	418.585	5.054	30	20	HKED	
COc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(OC)cc1Cl	522306820	LYXWSTQAPXFWQH-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(COCC4CC4)c3)c2)cc1	524499784	QBPLHQLMPXHMLR-UHFFFAOYSA-N	412.489	5.316	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)c(F)c1	525652616	AXIJVOMJDUFGIW-MRXNPFEDSA-N	406.432	5.352	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccc(Cl)cc1	533251247	WYTIYEOKMDYPFR-MRXNPFEDSA-N	401.963	5.052	30	20	HKED	
CCN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1ccc(C#N)c(Cl)c1	536973135	NOWLBRFOWGJZGM-UHFFFAOYSA-N	409.921	5.327	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21	537256477	DBTODNKQGNIXSV-RHSMWYFYSA-N	415.946	5.770	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)CCC1CCN(c2ccncc2)CC1)c1ccccc1	538899170	WSJDYUKZOWORCE-DEOSSOPVSA-N	406.574	5.037	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C	546003377	YHYRWFQZGBYUDX-HNNXBMFYSA-N	406.511	5.224	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4c(c3)CCCC4=O)c2)cc1	549822626	SFYRNMBMPLTVBF-UHFFFAOYSA-N	410.473	5.103	30	20	HKED	
Cc1cc(Br)cc2cc(C(=O)N(CCC#N)c3ccc(F)cc3)oc12	552114146	IUIXHXKKYVTAPA-UHFFFAOYSA-N	401.235	5.203	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1	552177391	LUDHXSFCPLCLFT-UHFFFAOYSA-N	419.974	5.385	30	20	HKED	
C[C@H](C#N)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	554308034	IRBWKUXKGVMYPU-LJQANCHMSA-N	406.489	5.096	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1c(Br)cccc1SCC	562572551	MRBUMOALXXCAGN-UHFFFAOYSA-N	409.349	5.417	30	20	HKED	
C=CCN(C(=O)[C@@H](C)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	569702634	QOKWVFZFVDAVIY-INIZCTEOSA-N	407.495	5.116	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	584440437	SSEDYEAPAXRKBK-INIZCTEOSA-N	420.900	5.494	30	20	HKED	
COc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)ccc1OC1CCCC1	603806912	YHLCTULPOWFPSJ-UHFFFAOYSA-N	419.506	5.264	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc2cc(Cl)ccc2s1	606145511	IGWLWBIXNGSMNY-AWEZNQCLSA-N	411.895	5.689	30	20	HKED	
CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	608784881	BPEGQZJLMDKTJT-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccc2c3c(cccc13)CC2	609376642	HDBXAFXLPJJQOH-INIZCTEOSA-N	418.587	5.921	30	20	HKED	
Cc1cc(-c2noc(CCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)ccc1F	609377540	WUMQIGSWMDOIJB-CQSZACIVSA-N	424.501	5.007	30	20	HKED	
Cc1nc(CCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc1-c1ccccc1	609428297	LDOBOHOFDLAVQU-MRXNPFEDSA-N	405.523	5.616	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OC(F)(F)F)cc1	609433109	UONZQFBTSVWXMH-CYBMUJFWSA-N	409.433	5.301	30	20	HKED	
Cc1csc(Nc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)n1	609488437	KBEHZOMBAVAQMC-UHFFFAOYSA-N	410.502	5.986	30	20	HKED	
CCOC(=O)c1sc(NC(=O)[C@@H](C)c2c(Cl)cccc2Cl)c(C#N)c1C	609579476	UCPMQWUKABUSMJ-JTQLQIEISA-N	411.310	5.154	30	20	HKED	
Cc1c(Cl)ccc2c1N(C(=O)c1ccc(COc3ccccc3C#N)o1)CCC2	609870683	USCCLTIUOZNVJE-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1	611127131	YDSRAXCTSOXCPA-GOTSBHOMSA-N	416.550	5.099	30	20	HKED	
Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1	611186083	HBPZGVDCUHJGSQ-SFHVURJKSA-N	422.872	5.063	30	20	HKED	
CC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	611816037	XJQDRYGEJWRILV-KRWDZBQOSA-N	412.493	5.091	30	20	HKED	
N#C[C@@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccc2ccccc2n1	613291279	ZBWKSRYTERANOH-HXUWFJFHSA-N	406.489	5.315	30	20	HKED	
CC(=O)c1cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F	672775301	QJGYJVKEYUPYFM-UWVGGRQHSA-N	414.321	5.059	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	675156476	LCBGXGZQZPHYMO-DEOSSOPVSA-N	423.601	5.470	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCc2ccc(F)c(F)c2C1	676130148	ZCXUXAHDEYVHCF-UHFFFAOYSA-N	406.301	5.209	30	20	HKED	
Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)cc1	726571957	PKVNBAFMGDHDQK-UHFFFAOYSA-O	420.945	5.439	30	20	HKED	
CCc1c(C)sc(NC(=O)COc2ccc(C3SCCCS3)cc2)c1C#N	727790811	SXSVXGQWJGCTMD-UHFFFAOYSA-N	418.609	5.377	30	20	HKED	
COc1ccc(/C=C\C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	729375469	HBPOIWRDQQFPAM-LCYFTJDESA-N	400.434	5.020	30	20	HKED	
COc1cc(/C=C\C(=O)c2c[nH]c3cc(Br)ccc23)cc(Cl)c1O	729937507	URCBDYYXGKJQNU-DJWKRKHSSA-N	406.663	5.194	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F	729948552	DAIUFIZVGZMNCO-UHFFFAOYSA-N	413.427	5.381	30	20	HKED	
Cc1nc(CCC(=O)OCc2ccc(-c3ccccc3C#N)cc2)oc1-c1ccccc1	730334429	GRCNELXJCRQQLG-UHFFFAOYSA-N	422.484	5.865	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1	731064182	WZCWLASSYUYUOE-GFCCVEGCSA-N	423.321	5.183	30	20	HKED	
C=CC1CCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)CC1	732003480	SWVKRBJSFFXKTH-UHFFFAOYSA-N	414.615	5.046	30	20	HKED	
CCCn1ccc2cc(NC(=O)NCc3ccc(OC)c(O[C@H](C#N)CC)c3)ccc21	733631257	GPWJRFYLKIXMOE-FQEVSTJZSA-N	420.513	5.063	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc3ccccc3c2)C2CC2)c1	733852098	RXZCNDKKRKREOD-XMMPIXPASA-N	413.521	5.395	30	20	HKED	
C=CC[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1	734457045	FSUSHQPXBIQQFI-LAQIPUCWSA-N	414.349	5.566	30	20	HKED	
O=C(/C=C\c1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)CC(F)F)cc1	741853225	YVCRGOZDCKJGDM-QINSGFPZSA-N	412.457	5.289	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C(/C)c2ccccc2C(F)(F)F)c1	741933131	AZJHMFQBXNXJGT-JBXOJTMHSA-N	402.416	5.106	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(Br)cc2Cl)cc(OC)c1OC	742429376	OCQUPJXAWRNYBL-FNORWQNLSA-N	411.679	5.024	30	20	HKED	
Cc1ccc(C)c(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1	745723925	FSXSTXSLZBLODY-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1	746260117	BPXDCNBOXIABMP-BWKNWUBXSA-N	414.480	5.093	30	20	HKED	
COc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1SC	746485956	RCEJIYBLHADHNP-UHFFFAOYSA-N	421.547	5.046	30	20	HKED	
CC(=NNc1oc(C(C)(C)C)nc1C#N)c1cc2cc(Br)ccc2o1	746497803	DBRHHFXFJLSSHE-UHFFFAOYSA-N	401.264	5.189	30	20	HKED	
COc1cccc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)c2cc(F)ccc2OC)c1	747099739	JZTYNBVAZOOBIY-CRICUBBOSA-N	420.484	5.013	30	20	HKED	
C[C@H](ON=Cc1ccccc1Br)c1nnc(-c2cccc(Cl)c2)o1	747826195	GNHFUNCEPAPFGF-NSHDSACASA-N	406.667	5.264	30	20	HKED	
CC(=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O)c1ccc2ccccc2n1	749812624	PTELXJZQBSOOPH-UHFFFAOYSA-N	410.502	5.254	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)cc1Cn1cccn1	751512079	AZUORLMLLDHUCJ-VOTSOKGWSA-N	407.520	5.021	30	20	HKED	
COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1F	751827646	XBJLBNOBGCXWCU-QGZVFWFLSA-N	422.481	5.106	30	20	HKED	
C/C(=C/c1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1	756508160	JTXJNSLJGKBJAL-UILAEWCASA-N	420.868	5.406	30	20	HKED	
CC(C)(C)N1C/C(=C\c2nc(Cl)cs2)C(=O)/C(=C/c2nc(Cl)cs2)C1	759077120	QENFTTVIXCTLJP-ZVSIBQGLSA-N	414.383	5.057	30	20	HKED	
CO[C@](C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1F	759442618	ZSDCUVSWYAWVTA-BUXKBTBVSA-N	422.403	5.192	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1	762214134	LWIMFDGFUGTVHR-FTJBHMTQSA-N	424.548	5.080	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1	762989786	OHXZOQWRRVPRIM-UHFFFAOYSA-N	418.202	5.128	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c(F)c1	772800902	LLYJFMDNUVCIHK-LZYBPNLTSA-N	422.428	5.118	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cccc(OC(F)(F)F)c2)ccc1OC	772985670	LWZDZZCGTPRPNQ-PBHICJAKSA-N	408.420	5.126	30	20	HKED	
C[C@@H](Oc1cccc2ccccc12)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	774056056	RGICUSIESFWKPA-RHSMWYFYSA-N	405.404	5.228	30	20	HKED	
C[C@H]1CCOCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	775337146	AETIFWHHXROYRS-AWEZNQCLSA-N	419.403	5.012	30	20	HKED	
COc1ccc(C[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccc(OC)cc2)cc1	776154246	QLDYEYCPLNQJJF-NIYFSFCBSA-N	416.521	5.241	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	777138845	JUZXLPOBWCNEHD-OAQYLSRUSA-N	401.959	5.204	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	777289859	BBQLUYLRFFQACV-MRXNPFEDSA-N	407.495	5.062	30	20	HKED	
C=CCC[C@@H](C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1ccccc1	777644168	DOWYINNQSWMOTO-NHCUHLMSSA-N	404.466	5.244	30	20	HKED	
N#C[C@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1	778607766	QTPSQJQMJDEWLT-MRXNPFEDSA-N	414.889	5.708	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1cccc(N2CCOC2=O)c1	782777002	FEVNSSFAEXNOPR-MOPGFXCFSA-N	411.505	5.594	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)Nc1cccc(OCC#N)c1)[C@H](C1CCCCC1)C2	787403231	OFLBCUXVZITMTQ-DEOSSOPVSA-N	419.525	5.137	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3cnc(-c4ccco4)s3)cc2c1C	788097476	HDHPWMIMXMTBAN-AATRIKPKSA-N	410.476	5.004	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccccc1O[C@@H](C)C#N	792546979	GYJZZXLQRKMADU-LBPRGKRZSA-N	415.371	5.212	30	20	HKED	
CC(C)(CCC#N)COC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1	798878271	ONAFYUMFEVDCQA-LADGPHEKSA-N	418.537	5.040	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	799229053	HRBNSLUTSDIXHP-SANMLTNESA-N	405.586	5.572	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Oc3cccc(Cl)c3C2=O)cs1	811699200	PBBOAOWZCDRJNB-ZDLGFXPLSA-N	410.882	5.406	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813217911	QHFCYRKNPGTZMX-IAQYHMDHSA-N	400.322	5.174	30	20	HKED	
Cc1noc(C)c1COc1ccccc1C(=O)N(O)Cc1cccc2ccccc12	901368448	ZTRVPQKQWLUHCE-UHFFFAOYSA-N	402.450	5.055	30	20	HKED	
C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	904508240	JPRSONJCWLDQIW-HNNXBMFYSA-N	400.413	5.281	30	20	HKED	
CCN(CC)CCN(CC(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915350327	RSNLBKPYVFVEHC-DEOSSOPVSA-N	406.574	5.174	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C=NNc1ncnc2sc(-c3ccccc3)cc12	915942865	SGYNDZACTQETJG-UHFFFAOYSA-N	410.934	5.315	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	916904775	DNOUYPILSILEPF-KRWDZBQOSA-N	419.506	5.328	30	20	HKED	
Cc1cccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917044154	QWMMDFZQUADENJ-MRXNPFEDSA-N	418.440	5.659	30	20	HKED	
C[C@@H](Nc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1C#N	917938924	NEHUIXRHNJHPNK-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccccc1Cl)c1nc(-c2c(F)cccc2F)cs1	920804008	IIQIFJADKSNRKI-XEHSLEBBSA-N	400.837	5.631	30	20	HKED	
Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CC(C)(C)C)cc3)CCC2)c1	1787658757	UIWNQTXRDOQNSB-UHFFFAOYSA-N	403.526	5.051	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(F)cc2)c1	10829666	IVLICRYVVCYSPV-UHFFFAOYSA-O	407.534	5.596	30	20	HKED	
Cc1nc(NC(=O)c2ccccc2SCc2cscn2)sc1SCC#N	44790050	ANBRCWOCNZTWOC-UHFFFAOYSA-N	418.594	5.068	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Oc3cccnc3)n2)cc1	52367900	CMHJYRXXWOEUIB-HXUWFJFHSA-N	411.486	5.796	30	20	HKED	
CN(CCOc1ccccc1F)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	58269486	JCQZRZHXOQSSDC-UHFFFAOYSA-N	409.301	5.014	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)c1cccc(C#N)c1	63327253	FVJKVLITQMMUFE-CQSZACIVSA-N	411.914	5.151	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)cc1C	63440721	VSMLJKXJPAGHHL-UHFFFAOYSA-O	401.555	5.131	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-]	72025343	CIALUINCZZUOCB-UHFFFAOYSA-N	416.437	5.008	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](Cc2ccc(C)cc2)c2ccccn2)ccc1OC	237303892	RAEDSJOIOZTYEG-DEOSSOPVSA-N	402.538	5.427	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)cc2)c1	303534281	RXHZHDSTRWEPLR-VXKWHMMOSA-N	404.416	5.158	30	20	HKED	
Cc1cccc2nc(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c12	426159270	DUYVLKZNXNKTKE-UHFFFAOYSA-N	424.504	5.088	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	426666448	RPNRWVDVDICGIY-UHFFFAOYSA-N	409.342	5.198	30	20	HKED	
Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2s1	433110375	PAIJLNZPUFUHRK-HNNXBMFYSA-N	409.923	5.872	30	20	HKED	
N#CC1CCC(CNC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)CC1	441005406	AKIZEYYOSJEWJF-ZGDBYOLNSA-N	417.887	5.337	30	20	HKED	
C=CCN(C(=O)c1cccc(-c2csc(C)n2)c1)c1nc(-c2ccccc2)cs1	443815282	KJJRTVCACIIOOQ-UHFFFAOYSA-N	417.559	6.075	30	20	HKED	
N#Cc1ccc(/C=C\c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)cc1	445371896	ZOXKFJYQPFMBAG-GDNBJRDFSA-N	422.444	5.085	30	20	HKED	
N#C[C@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1cccc(C(F)(F)F)c1	446012576	RHMATDYAODGWJX-INIZCTEOSA-N	412.333	5.137	30	20	HKED	
CC[C@H](N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccc(C#N)cc1	447531593	QHYWUNHYPOUDBH-UKILVPOCSA-N	404.485	5.545	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(Oc2ccc(Cl)cn2)cc1	462179084	VFXCHKUTZXIIMV-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
CC(C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	463172753	UMSJWIUTMJZJGG-SFHVURJKSA-N	408.552	5.080	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1	463266098	MEJORAPRNNSUAG-HXUWFJFHSA-N	418.516	5.499	30	20	HKED	
CSc1ccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl	463527454	KMKYUUAFHBTCAO-LBPRGKRZSA-N	412.989	5.257	30	20	HKED	
CC(C)(C(=O)N[C@H](C#N)C(C)(C)C)c1csc(-c2c(Cl)cccc2Cl)n1	464710638	NAQMZNMJFRNKLL-CYBMUJFWSA-N	410.370	5.449	30	20	HKED	
COc1ccc(-c2nc(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)c(OC)c1	464810143	DKVJZOFXPAXDBO-VXKWHMMOSA-N	419.550	5.099	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cc(C(F)(F)F)ccc3F)ccc21	468825644	FJYJGONOLGGPSJ-UHFFFAOYSA-N	405.395	5.040	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1	469224711	ITSZINWCLORKFY-UHFFFAOYSA-N	405.310	5.623	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1O[C@H](C)COC	470517294	GHYUHEFMMCGEIY-MRXNPFEDSA-N	415.921	5.069	30	20	HKED	
CC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470852909	UIJXDGOOQFVWQY-UHFFFAOYSA-N	407.539	5.022	30	20	HKED	
CN(Cc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1)C(=O)c1cccs1	476105164	VHURZZRCHHCCLY-IBGZPJMESA-N	417.534	5.046	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(C(F)F)c3Cl)CC2)c(F)c1	480129024	AAIZWDFUHFIFNI-UHFFFAOYSA-N	423.822	5.364	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1cccs1	481369690	HKJAXYJHBXLDIY-UHFFFAOYSA-N	400.554	5.510	30	20	HKED	
CC(C)(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1	482879074	PTUPALKBSLXRDW-UHFFFAOYSA-N	402.469	5.387	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	485332543	HIYSIQRXIZNWLV-IRXDYDNUSA-N	401.514	5.584	30	20	HKED	
C=CCSc1ccccc1NC(=O)CNc1ccccc1Oc1ncccc1C#N	486456522	NULNIHVUCCXXTB-UHFFFAOYSA-N	416.506	5.074	30	20	HKED	
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	487268865	ZCQIGCPCXPPYPM-ORAYPTAESA-N	416.399	5.313	30	20	HKED	
CC(C)(CCC#N)CN1CCC(c2nc(-c3ccccc3Br)no2)CC1	488402586	XVHKKZGJGLZMJN-UHFFFAOYSA-N	417.351	5.008	30	20	HKED	
C=CCC(C)(C)CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1	489944228	XRDHXWWLXKZFOD-UHFFFAOYSA-N	407.554	5.032	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	496650939	MSIMMLRDRLNJCH-UHFFFAOYSA-N	403.482	5.103	30	20	HKED	
O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	498360464	QNJCEDNEOXFEQV-OAHLLOKOSA-N	424.360	5.288	30	20	HKED	
CCC[C@@H](CC1CCCCC1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	499571620	MDXWAYQKJYEVRS-QFIPXVFZSA-N	409.574	5.122	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)oc12	502303026	DOOUIYFZNOAFOO-QGZVFWFLSA-N	415.493	5.263	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)c1	502390734	OLZVSNSEKGWUOX-INIZCTEOSA-N	401.413	5.356	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c(Cl)c1	510172261	IVGBCSUBRFKTSM-MRXNPFEDSA-N	421.953	6.010	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(OCc2ccccn2)c1	510590135	WUUOBSGRYXIBLY-GOSISDBHSA-N	414.509	5.344	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	510831185	RVZLNSODDXWNKK-UHFFFAOYSA-N	418.443	5.394	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)n1	513113049	IXAMPOZXUBRJMH-HXUWFJFHSA-N	403.461	5.032	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	513852509	IXOKXPTYZIBBHU-JLTOFOAXSA-N	407.901	5.733	30	20	HKED	
COc1ccccc1OCc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1	514425103	TVNJUQFAFIGUBB-AWEZNQCLSA-N	422.506	5.177	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1	517652093	CMYDWADJHGQGNK-VQTJNVASSA-N	410.395	5.507	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	518205733	QQPCXIOMNPYNDN-RYUDHWBXSA-N	424.410	6.018	30	20	HKED	
CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	519911711	XQYCTYIDAGUEOS-UHFFFAOYSA-N	409.383	5.083	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	520271565	YLUKDIQVWYEVOT-KEYYUXOJSA-N	413.226	5.497	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	521068858	ODXVJPDXFMGRCE-NRFANRHFSA-N	415.537	5.162	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	521605721	ASISIECEYLCNRT-VABKMULXSA-N	416.908	5.746	30	20	HKED	
CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	523510547	NLFGHPUTWQCNPP-LJQANCHMSA-N	422.579	5.155	30	20	HKED	
COc1ccccc1CCN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	523947191	SHMKCSOVHLZFOQ-UHFFFAOYSA-N	420.896	5.327	30	20	HKED	
Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524392372	FEYCHKMKSNUTII-UHFFFAOYSA-N	422.916	5.074	30	20	HKED	
CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccccc2s1	524491768	TWZHIQDQIGBDPS-UHFFFAOYSA-N	413.502	5.414	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1	525141395	JJLFEPHZBYZQGM-UHFFFAOYSA-N	414.461	5.161	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1	537099639	KLSNJLJYKYAZTC-DJKXOVBDSA-N	415.946	5.243	30	20	HKED	
COc1ccc(OCc2nc(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)cc1	537625597	OCYWBUFJBHJRRO-PKTZIBPZSA-N	419.550	5.002	30	20	HKED	
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	537926463	VSCRUQZFHVNBRA-IBGZPJMESA-N	415.493	5.156	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)cc2)CC1	538498630	PLLLVSJCDKMBFC-UHFFFAOYSA-N	421.953	5.525	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cccc2ccccc12	539242523	CDRLBIRZWXGGPA-ROUUACIJSA-N	403.551	5.381	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)nn1-c1ccc(Cl)cc1Cl	540681735	KLJMTURTPMNHNK-CYBMUJFWSA-N	411.248	5.119	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cc1	541098257	ILXCXPBJXPJMNU-UHFFFAOYSA-N	418.444	5.094	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SC4CC4)cc3)n2)cc1	543059109	PUBSSMFMPYYUTL-IBGZPJMESA-N	406.532	5.563	30	20	HKED	
N#Cc1cc(C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)ccc1Cl	543479395	BAKGZANMRLIUJN-UHFFFAOYSA-N	417.612	5.183	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@H](C)C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1	543685272	UVTSEEFLDNFPEJ-OXQOHEQNSA-N	411.512	5.084	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2cccc(C#N)c2)cc1	543853048	XIXSSKHIRWUJTH-KRWDZBQOSA-N	424.504	5.456	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	553105059	WXAIFJNCHOUUAU-RTBURBONSA-N	421.463	5.071	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCCc3sc(Cl)cc32)c1	553508121	SCDWSFSNWQMOCX-QGZVFWFLSA-N	412.898	5.253	30	20	HKED	
C[C@@H](C#N)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	554308033	IRBWKUXKGVMYPU-IBGZPJMESA-N	406.489	5.096	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cnc1C(F)(F)F	555841791	QBDGLLJNSARFPG-UHFFFAOYSA-N	403.310	5.170	30	20	HKED	
C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(OC2CCCCC2)CC1	559010612	IVAPIFKHFUYKFV-UHFFFAOYSA-N	424.589	5.060	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NCCCCC#N	562195267	ASTXBKMHDNBFRI-UHFFFAOYSA-N	407.493	5.547	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1	576235969	PYAVLWJTAHARST-NRFANRHFSA-N	411.288	5.567	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(C)(C#N)CC1	583448295	UJHVHDIMMGTRMP-LJQANCHMSA-N	415.541	5.277	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccnc(-c4ncc[nH]4)c3)cc2Cl)cc1	590078414	FRKZOVXYYIEMBU-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12	592974610	VJSWTCQKLVXPME-CQSZACIVSA-N	420.469	5.292	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1C#N	604189855	PAVKOPWVROTIOG-UHFFFAOYSA-N	405.479	5.042	30	20	HKED	
CC(C)c1ccc([C@H](NCc2cccc(OCCCC#N)c2)c2cccs2)cc1	608860449	MCXGMERKPAHIKC-VWLOTQADSA-N	404.579	6.433	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)c2C#N)C1	608896325	CYOIIXFCXYRVCU-LBPRGKRZSA-N	411.527	5.183	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	609056389	POFAIMBAGXXFQL-GOSISDBHSA-N	400.478	5.171	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)c2)cc1	609209585	CXLGUYVEDNRCQW-BJKOFHAPSA-N	413.477	5.392	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Br)cc3O)cc2)cc1	609515649	RNEDEPPSXCHTOQ-UHFFFAOYSA-N	423.266	5.265	30	20	HKED	
Cc1cc(OCCCC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)ccc1Cl	610053714	RODLIOCRBSYXNG-UHFFFAOYSA-N	422.916	5.120	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(C#N)c1	610320960	WUOPJWUXSLKABT-ZHRRBRCNSA-N	414.896	5.750	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H]3[C@H](C(F)(F)F)[C@@H]32)c1	610494584	HPYIIAZLSNVUHM-DOPJRALCSA-N	406.791	5.027	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1-c1ccccc1	610540025	AZHOGFRMJBAXFY-UHFFFAOYSA-N	422.444	5.074	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c(Cl)c1	611093762	BNAZNXUGVQZVQP-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
CC(C)OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	620304559	NAJIOMYFVPBKJW-INIZCTEOSA-N	412.461	5.503	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)C2CC2)cc1OC	672818459	ZUZAKGNHPFSVQH-FQEVSTJZSA-N	402.332	5.263	30	20	HKED	
CC(C)(C)C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F	679305840	JEEOARMOAFPEMQ-AEJSXWLSSA-N	416.328	5.126	30	20	HKED	
COc1ccc(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	726455716	FQMZTHVRVMNHBR-RKDXNWHRSA-N	418.378	5.030	30	20	HKED	
CCN(C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@@H](C)c1ccc(C#N)cc1	726480920	OKCYDNBFHJZMOK-KBPBESRZSA-N	406.382	5.884	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(COc2ccccc2)cc1	726755435	MTTAHTMLYDWSKU-UHFFFAOYSA-N	407.473	5.015	30	20	HKED	
FC(F)(F)COc1ccc(NN=Cc2ccccc2OCc2ccccn2)cc1	727262767	XFLUJQRZLONKQE-UHFFFAOYSA-N	401.388	5.048	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3ccsc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727267419	TVAGXAPZCCSRLT-ONEGZZNKSA-N	415.452	5.201	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3ccccc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	727267872	UZQSCKGUGCESJO-CMDGGOBGSA-N	409.423	5.139	30	20	HKED	
CCCOc1ccc(C=NOCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC	727476723	CRMLVWKIJTUTEH-UHFFFAOYSA-N	400.862	5.343	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(OCc2ccc(F)cc2)cc1	727685563	RWWORQXUGDCLCU-RAXLEYEMSA-N	416.477	5.819	30	20	HKED	
CCn1nc(C)c(/C=C\C(=O)c2sc(/C=C\c3c(C)nn(CC)c3C)nc2C)c1C	727975227	VCTWWLHJTRSIDP-MIMPSMLTSA-N	423.586	5.185	30	20	HKED	
Cc1cccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	728052764	LPJRIDMJXPOWRD-UHFFFAOYSA-N	405.885	5.150	30	20	HKED	
Cc1cc(COc2ccc(/C=C/C(=O)c3ccc(Cl)s3)cc2)oc1C(=O)O	729937391	QIQQGVVZFPVUJO-QPJJXVBHSA-N	402.855	5.476	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2o1	730398456	IOBXGHFQIPIUKX-FQEVSTJZSA-N	416.864	5.479	30	20	HKED	
Clc1ccc(Cl)c(C=NNc2ncnc3c2cnn3-c2ccccc2)c1Cl	730433119	GNPCBRMTMPOIKL-UHFFFAOYSA-N	417.687	5.222	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1	731062357	JDFMUQNVCFOIAW-LBPRGKRZSA-N	423.321	5.041	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(OC(F)F)c(Cl)c2)S1	731488710	PTINLZNGEOQHHG-DHDCSXOGSA-N	408.857	5.450	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccc(C)s2)c1	733804796	IFTOTTPFGAVODV-LJQANCHMSA-N	423.538	5.243	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1	733843990	XJWKAXZBFJEHNY-IBGZPJMESA-N	420.444	5.016	30	20	HKED	
COc1cc(COC(=O)c2csc(C(C)C)n2)ccc1OCc1cccc(C#N)c1	735137525	OZODHESXCXHIBN-UHFFFAOYSA-N	422.506	5.083	30	20	HKED	
CN(CCCc1cc(-c2ccc(F)cc2)no1)Cc1cc(Cl)ccc1OCC#N	735309310	BXVWTKZJZFSWLS-UHFFFAOYSA-N	413.880	5.101	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(F)c1	735742720	JDNLCNLFNYGDFK-HSZRJFAPSA-N	401.485	5.580	30	20	HKED	
C=C(Cl)CNC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	736965763	XPYZEAYIWJPUAQ-UHFFFAOYSA-N	411.811	5.140	30	20	HKED	
CC[C@H](Sc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1)c1ccc(F)cc1F	737398936	YGRUVCYCMKFFAP-SFHVURJKSA-N	413.449	5.251	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccnc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	741111334	KQFNHHGLEDQCIW-VQFGERMISA-N	415.905	5.901	30	20	HKED	
COc1ccc(Cl)cc1NCCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	744034911	FZUAQNJNJVFNCU-ZDUSSCGKSA-N	420.321	5.290	30	20	HKED	
C[C@@H](OC(=O)/C=C/c1ccccc1C#N)c1ccc(N(C)Cc2ccccn2)c(F)c1	744204407	QKAJSXCLVCGUGW-IYPOZPNPSA-N	415.468	5.046	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Cc3c(F)ccc(F)c3C2=O)cs1	749582895	RENJYSFBNUHMJT-NTEUORMPSA-N	410.445	5.237	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1	751015983	ZQTPYMUTTNPDNT-UHFFFAOYSA-N	403.507	5.785	30	20	HKED	
N#Cc1csc(/C=C2/CC3(CCOCC3)C/C(=C/c3cc(C#N)cs3)C2=O)c1	751517569	MFHFXHOSTUDARR-MZAUSLISSA-N	406.532	5.180	30	20	HKED	
Fc1ccccc1-c1cnc(CON=Cc2cccc(OCc3ccncc3)c2)o1	754276172	CZEHAIHLTVNAJO-UHFFFAOYSA-N	403.413	5.005	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CNc2ccccc2CCC(F)(F)F)cc1C	759777260	HTNLXZAUXQLLOE-UHFFFAOYSA-N	403.448	5.157	30	20	HKED	
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@H]1CCC[C@H](C(F)(F)F)C1	764749165	ASFVVXKVIGYHBU-BQBZGAKWSA-N	410.223	5.069	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1	766409601	YHEMUDSSIIIPGL-HXUWFJFHSA-N	414.415	5.058	30	20	HKED	
COc1ccc(NCc2cccc(OCCCC#N)c2)cc1NC(=O)C1CCCCC1	770582658	WDGJDDKSSYWURG-UHFFFAOYSA-N	421.541	5.509	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccccc2OC)C2CCCC2)ccc1OC	774450870	VLGYWVWEOYJJMZ-CPJSRVTESA-N	408.542	5.406	30	20	HKED	
CCOc1ccc(CCC2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)cc1	780672064	YSROCGAVDBAZCS-LJQANCHMSA-N	421.541	5.253	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CC3CCC(C(F)(F)F)CC3)n2)cc1	783360516	DMYVVLNYZQMCLW-PUJMQQBBSA-N	422.472	5.754	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3ccc(Cl)cc3C2=O)cs1	783714910	OUIUXLFEMQCIMQ-DHDCSXOGSA-N	424.909	5.448	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1	786131585	IRULWDKHHKWPDF-NTKDMRAZSA-N	411.505	5.351	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	789720750	YBFDBUZBYPFXCM-UHFFFAOYSA-N	418.151	6.799	30	20	HKED	
C=CC[C@@H](N[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1	796308540	QMXBWYVASAIQFW-CXAGYDPISA-N	411.855	5.378	30	20	HKED	
N#CC1(CCCOC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CCOCC1	800165471	PJJMOSIJSCXCSQ-ZEQRLZLVSA-N	419.521	5.013	30	20	HKED	
CC[C@H](NC(=O)c1cc(F)c(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1	804425621	SBJAKKKGXKMDGX-JTQLQIEISA-N	418.309	5.340	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	813212139	YCPLFWQZXLMGEF-SFHVURJKSA-N	402.416	5.282	30	20	HKED	
CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813218694	RSCUMGCQXUJITK-OAHLLOKOSA-N	414.349	5.564	30	20	HKED	
C=C(C)CN(CC)C(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814772858	GWRPYWSMCLTUIL-MFOYZWKCSA-N	416.593	5.029	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1	915084936	BFZTWIPKXOVWOH-IBGZPJMESA-N	411.288	5.666	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2c(Cl)cccc2s1	916918731	SBNJFKYKSYGEAL-MRXNPFEDSA-N	404.878	5.669	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C	917795021	QODFTDFBZGASNM-UHFFFAOYSA-N	424.460	5.063	30	20	HKED	
CCc1nc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	920109849	IDOUAHRNPWPBQL-ZDUSSCGKSA-N	422.362	5.555	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1	7632551	WAYZQJWIGZDSCK-QGZVFWFLSA-N	406.555	5.374	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccoc1C	21140633	TZRUKGQKKURTQN-MRXNPFEDSA-N	424.570	5.449	30	20	HKED	
O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cc(F)c(F)c(F)c1F	26495438	ZYENKDDTAVKSMG-UHFFFAOYSA-N	401.665	5.090	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)cc(Br)cc1C	48463332	JKFKZMZCOZSKCO-UHFFFAOYSA-N	400.320	5.382	30	20	HKED	
N#CCCCOc1cccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1	56199907	XYOOWSURHYMSMK-QHCPKHFHSA-N	403.457	5.300	30	20	HKED	
C=C(C)COc1cc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)ccc1OC	60791971	PJFYUVAPVAKUCQ-ZDLGFXPLSA-N	417.577	5.113	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1	61576071	XWYKJZDCFDZQJH-UHFFFAOYSA-N	409.511	5.473	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1	62922778	XREHGMGUJCFGQN-JPYJTQIMSA-N	422.573	5.080	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)c(F)c1	98068774	SIPACDGURBYLBN-FMIVXFBMSA-N	413.452	5.037	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1	109153874	XBTNOHVTSQZYTL-DFBJGRDBSA-N	413.521	5.773	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n(C(C)(C)C)n1	110564494	ZMSXFOIACNQDKD-UHFFFAOYSA-N	420.513	5.232	30	20	HKED	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)o1	195632903	SSHDGBVZJCYGMF-QRWLVFNGSA-N	416.443	5.148	30	20	HKED	
CC(C)n1cc(C(=O)/C=C\c2cccc(/C=C/C(=O)c3cnn(C(C)C)c3)c2)cn1	208118996	IPARAQLRGRCYCI-PNQPDEHRSA-N	402.498	5.034	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1	303683295	SNFPIJKAHGEZOQ-LJQANCHMSA-N	423.944	5.094	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	427802709	WXYUMQHGHXANJD-HNNXBMFYSA-N	406.473	5.701	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	429207828	QABPBVSUWYARJJ-UHFFFAOYSA-N	416.525	5.297	30	20	HKED	
N#CCSc1cccc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c1	429864759	WSUBEJSSUIBJTN-SGAUDOEVSA-N	410.542	5.329	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1	436131514	RWRDMVFLFGUKCJ-GOSISDBHSA-N	402.539	5.075	30	20	HKED	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	437541607	XMXCNDNKDCHNOW-QVKFZJNVSA-N	420.513	5.360	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1	438036706	IJMHPJZLVBICJP-HOTGVXAUSA-N	413.974	6.349	30	20	HKED	
COc1c(Cl)cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1Cl	438178221	MFPIBNITMTVGDI-QAPCUYQASA-N	404.297	5.306	30	20	HKED	
COc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(Cl)c1O	443132661	TVWXCACGKOTJTM-AWEZNQCLSA-N	406.869	5.084	30	20	HKED	
C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C#N)c1ccc(Br)s1	443855444	LQMODWXYMSJALV-LLVKDONJSA-N	417.353	5.853	30	20	HKED	
CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1	443886810	UPGDFVJRBOHHSD-UHFFFAOYSA-N	400.360	5.003	30	20	HKED	
COc1ccccc1SC[C@H](C)CNC(=O)c1cn(CCCC#N)c2ccccc12	444171439	PGFUSKSOGLXKTO-GOSISDBHSA-N	421.566	5.112	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1c(F)ccc(Br)c1F	447418183	MHDRXJAMVXUKSH-SNVBAGLBSA-N	411.271	5.374	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccccc1CCC(F)(F)F	465242559	SASRBDFSJZHSBN-UHFFFAOYSA-N	408.317	5.661	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3cc(Br)cc(C(F)(F)F)c3)o2)c1	471637027	UXUZFIUFPUYXCR-UHFFFAOYSA-N	423.192	5.002	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c(C)c2)n1	475535816	HNAOQMGMNIMTPC-UHFFFAOYSA-N	407.564	5.965	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	476161082	TZZUPYPJWRBUFR-UHFFFAOYSA-N	421.491	5.743	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1sc(-c2ccccc2)nc1C	480295655	QWXAWJDWFVLTIJ-UHFFFAOYSA-N	409.559	5.506	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(F)c(F)c1	481086018	WHACAXPHCMSPLS-IBGZPJMESA-N	410.424	5.331	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccc(C)cc1	481365378	ARTHCQROTVUPHJ-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
CC(C)C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccs1	484131837	KTNIKMAJVVSRHU-IBGZPJMESA-N	415.534	5.099	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl	485395969	IQIGUULGNXUEIV-NSHDSACASA-N	401.340	5.046	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCc1nn(-c2ccc(F)cc2)c2c1CCC2	486194627	DNWUZZVODMRCAL-INIZCTEOSA-N	406.530	5.364	30	20	HKED	
Cc1sc2nc([C@H](C)Sc3nc(C(F)(F)F)ccc3C#N)nc(N)c2c1C	488727936	FARQIGZDQUWWNY-VIFPVBQESA-N	409.462	5.029	30	20	HKED	
CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](c1ccc(Cl)cc1)C1CCCC1	499913965	STXLBDVOSIZXMK-QFIPXVFZSA-N	406.917	5.625	30	20	HKED	
C[C@@H](CNCc1cn(CCC#N)nc1-c1ccccc1)c1c(Cl)cccc1Cl	500137967	BDNRNLVEOWMPQE-INIZCTEOSA-N	413.352	5.664	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1	500335936	ZELWCUBLDRYMFQ-UHFFFAOYSA-N	407.514	5.048	30	20	HKED	
CCOc1ccc(OCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	500770556	NGDGZNRNJXFSHA-UHFFFAOYSA-N	402.450	5.075	30	20	HKED	
C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1	500817363	KQEYLNOGMKAZIU-SFHLNBCPSA-N	419.594	5.187	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cc1	503175977	XPFNTIYMYRPYLM-FGZHOGPDSA-N	408.423	5.406	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1	505468602	VNQQIGKDYCZPRS-INIZCTEOSA-N	417.412	5.263	30	20	HKED	
N#CCCN(Cc1ccc(OCc2c(F)cccc2Cl)cc1)Cc1cccnc1	505908197	UZFKJUSSOZUXLB-UHFFFAOYSA-N	409.892	5.369	30	20	HKED	
N#CC1(CCCSCc2csc(COc3ccc(F)cc3)n2)CCOCC1	507720276	NVOWVPXZFYQVAO-UHFFFAOYSA-N	406.548	5.195	30	20	HKED	
Cc1ncc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	510005290	KFCJAEASCDRYMV-LJQANCHMSA-N	410.930	5.424	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	510842873	MAGPLSRRJSZNPI-DBXWQHBBSA-N	409.555	5.370	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1OCc1ccccc1Cl	511730098	PDKOJIACWXMPHJ-FQEVSTJZSA-N	424.859	5.061	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	512504285	OVTIMRYQNSFRLN-UHFFFAOYSA-N	411.383	5.520	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nccn1-c1ccccc1	512792099	HJFIPXQVDTZJBW-OAHLLOKOSA-N	400.935	5.046	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCCOc3ccccc3F)c2)cc1	517100436	JYZPAHZQPFSKBI-UHFFFAOYSA-N	418.468	5.268	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	518738949	GWMHTIICOUJPIX-CABCVRRESA-N	406.473	6.232	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccco1)Cc1cccs1	521261133	MSIYAUKWECCEDJ-INIZCTEOSA-N	411.552	5.827	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	521326638	AQGYEIGLFABAOO-ZIAGYGMSSA-N	401.513	5.108	30	20	HKED	
CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	522707549	KGVWLDWSAJMSND-TZIWHRDSSA-N	409.555	5.127	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(C3CC3)no2)cc1Cl	523528896	VPFRJDWRGNIYIR-IBGZPJMESA-N	420.900	5.217	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)c1	524251233	LPODFNVMICGJOG-UHFFFAOYSA-N	422.828	5.343	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)sc2c1CCCCC2	524278746	ASRSPPDPEGGPBO-UHFFFAOYSA-N	411.527	5.327	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc2cccnc12	524440803	AXMNFWXYCRJBHL-UHFFFAOYSA-N	422.488	5.316	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2c(C)n[nH]c2n1	524473715	AZLPZNHGQGNSML-LJQANCHMSA-N	415.884	5.136	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1C	524565271	NTZFIMWFSPQJSN-KRWDZBQOSA-N	423.582	5.631	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1	530877105	COTWXUYFIUDEOB-OAHLLOKOSA-N	409.433	5.002	30	20	HKED	
C=CCC[C@H](NCc1csc(N(CC)C(C)=O)n1)c1ccc(C(F)(F)F)cc1	533069361	GKNDKTUACBTCMF-SFHVURJKSA-N	411.493	5.332	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)c1cn(CCC#N)c2ccccc12	534476466	UBOLFNXZSFYOIQ-QGZVFWFLSA-N	408.571	5.319	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1C(F)F	535619525	CSIXAGSRFAGCDF-MRXNPFEDSA-N	400.816	5.148	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C#N)s1	536972690	KMGXVXRYDPKWAJ-UHFFFAOYSA-N	405.479	5.213	30	20	HKED	
CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	538335817	NCNPBYZZMKGWSP-QMHKHESXSA-N	420.509	5.355	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1	538625931	LFPFPKCYKQAQEI-UGKGYDQZSA-N	423.476	5.193	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)NCc3ccc(-c4ccccc4C#N)cc3)co2)cc1	540268011	IXVKXXQETNBOHA-UHFFFAOYSA-N	422.488	5.188	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)n2)c(F)c1	542959844	HCBIPCVBTNJFBY-UHFFFAOYSA-N	423.451	5.098	30	20	HKED	
Cc1cccc([C@@H]2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)C2)c1	543365313	ALMAWKLQTSMSDJ-HSZRJFAPSA-N	412.537	5.019	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1cccc(Cl)c1C#N	543959083	DLGQBSFAMBJNRV-ZDUSSCGKSA-N	401.944	5.194	30	20	HKED	
Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	551238235	XLFSMPRKIYLYET-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	553486828	PAYQNPJGUDHJBX-OAHLLOKOSA-N	421.884	5.934	30	20	HKED	
CC(C)c1ccc(/C=C\CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1	553539724	FKCKFSZFKFYUAF-ARJAWSKDSA-N	406.501	5.294	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCc2ccncc2)cc1	558340483	PHLPQEGJPDXFSO-UHFFFAOYSA-N	419.529	5.048	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1Cl	561161801	JRSFGKPPVSOBOG-KGLIPLIRSA-N	422.381	5.534	30	20	HKED	
C=CCOc1c(Br)cc(CN(C)[C@@H](CC)c2ccncc2)cc1OC	564327327	YTFBJYRTWHVEFO-SFHVURJKSA-N	405.336	5.001	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2nc(C)cs2)cc1	570937354	UJHBLUFBQQBSHA-UHFFFAOYSA-N	407.495	5.086	30	20	HKED	
CCO[C@H](c1noc(-c2ccc(C#N)cc2C)n1)c1ccc(F)cc1C(F)(F)F	576313551	IOAORBMNQSZXNO-KRWDZBQOSA-N	405.351	5.201	30	20	HKED	
N#CCCCCCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	588816289	QVNXSKDIJLPYNO-UHFFFAOYSA-N	418.349	6.742	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sccc1OC(F)F	591669691	KUWIGSHRZVHASW-UHFFFAOYSA-N	420.250	5.080	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1ccccc1F	603637289	YULJRDVDSMNCLY-UHFFFAOYSA-N	407.832	5.164	30	20	HKED	
C=CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2ccccc2)cs1	603728953	ZFEDJCRMSVBLOP-UHFFFAOYSA-N	405.435	5.297	30	20	HKED	
CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC	603764831	OQQSVQFGAQBEHS-UHFFFAOYSA-N	417.465	5.185	30	20	HKED	
CCSc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	603941527	MGZSQPPEBGTJEI-UHFFFAOYSA-N	412.565	5.066	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl	606322753	ZHOFOFVQELLGBC-UHFFFAOYSA-N	420.896	5.434	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1	608916271	UXBFHDJCUZLDMF-UHFFFAOYSA-N	418.541	5.017	30	20	HKED	
CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c(C#N)c1C	609033588	TULCRIDJWAZZLH-NWDGAFQWSA-N	423.321	5.154	30	20	HKED	
N#Cc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1	609092260	FDLAVQIOYPZVAL-UHFFFAOYSA-N	402.450	5.988	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1	609187718	VBPRHZTXIYJTBR-SFHVURJKSA-N	423.538	5.107	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(SCc2ccccc2)cc1	609376780	JLSLYXRHCLBDCE-SFHVURJKSA-N	418.587	6.483	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(Cl)c(Cl)c1	609460579	UXJBBCOTWPQTBF-CQSZACIVSA-N	406.250	5.111	30	20	HKED	
C[C@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)c1ccc(C#N)cc1	609813822	WDNKKIJMVGYPJE-MOPGFXCFSA-N	417.582	5.539	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N	609866183	UAYNUKPVQDCNGH-MWTRTKDXSA-N	404.897	5.385	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c(F)c1	610219014	NIGYTSZUGOALOS-JOCHJYFZSA-N	410.901	5.349	30	20	HKED	
CC(F)(F)c1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	644971886	SINOSMXFOWLRJH-STQMWFEESA-N	418.328	5.071	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1C(F)(F)F	674571501	QUYNVFGMELEZMJ-GHMZBOCLSA-N	408.264	5.218	30	20	HKED	
CC(C)Oc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl	678324318	GIOVCRWAUUVXGT-MRXNPFEDSA-N	422.897	5.007	30	20	HKED	
CCSc1cccc(F)c1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	685700682	QSZXVGXIVBTKRY-IUCAKERBSA-N	404.351	5.142	30	20	HKED	
Cc1nc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)sc1SCC#N	725718248	HMBNTXXBQOCHHE-UHFFFAOYSA-N	416.959	5.380	30	20	HKED	
COc1ccc(Cc2nnc(S)n2N=Cc2cccc(-c3ccccc3C)c2)cc1	729635469	VWGCAAOSPBQHEW-UHFFFAOYSA-N	414.534	5.024	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=S)Nc1cccc(Br)c1	731321122	NJHMVCXETXJYDX-GFCCVEGCSA-N	406.374	5.652	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ncc(C(C)C)o3)n2)o1	733753076	FIBJAGZRHJTRSW-UHFFFAOYSA-N	407.417	5.944	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1	734081028	DGWXNRULPMQMQG-BZUAXINKSA-N	414.317	5.492	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1C[C@H](OCC)C12CCCCC2	741508308	CQOXLDSRJPGJCH-PMACEKPBSA-N	420.022	5.748	30	20	HKED	
CCCCCCOc1ccc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	742386002	WOTUTRYLBWDCKV-UHFFFAOYSA-N	407.558	5.091	30	20	HKED	
Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)OC(C)(C)C	742657025	KLGJOOLIWXZBJG-OAQYLSRUSA-N	421.541	5.634	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)cc1	743055299	BVRKVDZHGNAWLT-NVNXTCNLSA-N	408.457	5.841	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)s1	744038118	MNWLFCNZGFQNSC-VHSXEESVSA-N	424.270	5.235	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)ccc1OC(F)F	747122419	KASZTSDAUAFRIY-WAPJZHGLSA-N	414.360	5.151	30	20	HKED	
N#CCC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1	747974383	QOZISSXUBYNZLZ-OAQYLSRUSA-N	400.507	5.131	30	20	HKED	
C=CCN(C(=O)c1ccnc(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	751062742	MTPNQIDJRPTVQA-UHFFFAOYSA-N	408.285	5.484	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	751329438	SDWZADVNHVPROV-AREMUKBSSA-N	411.549	5.826	30	20	HKED	
N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	754522971	BTPQJLAUPBCCDS-CYBMUJFWSA-N	400.265	5.099	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(Br)cc2SC)c1	756119211	PAFRPVDRIMAKGM-KRWDZBQOSA-N	405.361	5.142	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)ccc1F	757932016	FWQDZPQJYKZZHU-UHFFFAOYSA-N	404.466	5.369	30	20	HKED	
N#C[C@H](C(=O)CCCn1ccc2cc(Cl)ccc21)C(=O)Nc1ccccc1Cl	760967076	XWSMXZJPRBIPCE-MRXNPFEDSA-N	414.292	5.076	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1C#N	761777083	AGXKPEZUGMIKAG-UHFFFAOYSA-N	412.660	5.339	30	20	HKED	
N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c(Cl)c([N+](=O)[O-])c1	764303036	VCFLXWKRZHBIAQ-MNOVXSKESA-N	410.644	5.169	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)cc1	766453585	AFQASWJEAAZRMT-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(Br)cc2F)cc1OC(F)F	767738389	VSASHTZRETWMMI-QHHAFSJGSA-N	401.178	5.094	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c1	770396717	YFLZSXQARCTPKD-PGRDOPGGSA-N	413.468	5.083	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3cccs3)cc2)ccc1OC	772977922	DAIIESBTTRPUTQ-LAUBAEHRSA-N	406.551	5.955	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)Cc2ccccc2CC#N)nc1-c1ccc(Cl)cc1	776979609	VOXDTMDNGKJMPN-CQSZACIVSA-N	409.942	5.258	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1COCc1ccccc1	780498775	VPNMBXUQGPLBMB-GOSISDBHSA-N	401.466	5.338	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1	780669546	DAISCSMARLSICX-KSFYIVLOSA-N	421.447	5.361	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)OCCCC(C)(C)C#N)c2cnn(C(C)C)c2n1	782628963	PWBVBPIVCVQGIU-UHFFFAOYSA-N	404.514	5.474	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2cccc(-c3ccccc3)c2)c(-c2ccncc2)n1	788356744	VQGYOZIVHBCQFI-ZHACJKMWSA-N	404.473	5.422	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1	788915418	DFDHVYBGGNRFHV-UHFFFAOYSA-N	404.319	5.259	30	20	HKED	
Cc1cccc(Cl)c1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	790767067	HQDMGOYJOWEYFZ-IBGZPJMESA-N	418.880	5.331	30	20	HKED	
N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nccc2ccccc12	792103420	JXQSAXSJWGDAHQ-UOHKRCFCSA-N	409.327	5.145	30	20	HKED	
N#Cc1c(Cl)nsc1SCCCCSc1snc(Cl)c1C#N	795172402	SLYFVONILFKEAW-UHFFFAOYSA-N	407.398	5.314	30	20	HKED	
COc1ccc(CN[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1C#N	796469165	GVSVWQKOFYTPBP-SFHVURJKSA-N	408.716	5.249	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc2c(c1)OCO2	796756721	OAFSOFBTTQVVKV-ZWNOBZJWSA-N	418.396	5.024	30	20	HKED	
C=CC[C@@H](OC(=O)C1CCC(NC(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1	797554853	ZBWAXTYKKHBPLS-GSQSYGFSSA-N	410.341	5.239	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(N2CCCOC2=O)cc1	814740862	AVHMSWQVWBIFKX-UHFFFAOYSA-N	413.692	5.225	30	20	HKED	
COc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1Cc1ccccc1	857763424	KLHQTACOEGKVTG-FQEVSTJZSA-N	413.521	5.033	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1csc(COc2ccc(F)cc2)n1	914518518	STLKSXGIPYSDHA-UHFFFAOYSA-N	423.513	5.031	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915085260	JNKZDZNJFNPVEZ-UOKFIYJESA-N	409.489	5.189	30	20	HKED	
N#C[C@H](C(=O)CSc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	915102318	WMIKYKKNRUWZKL-MRXNPFEDSA-N	402.903	5.571	30	20	HKED	
Cc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3nc4ccccc4s3)o2)cc1	916306709	VTJKYHSBYTUKNZ-UHFFFAOYSA-N	417.519	5.294	30	20	HKED	
Cc1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)c1	916888340	WADAQSPCEPRGIV-MRXNPFEDSA-N	420.506	5.058	30	20	HKED	
CCc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C	916904477	DPOBUFRLPWMZOW-KRWDZBQOSA-N	404.491	5.372	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccs3)n2)cc1	916950177	RYOLZIRPAMPNDE-KBXCAEBGSA-N	423.563	5.275	30	20	HKED	
O=[N+]([O-])c1ccc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1	919964585	UKNVEAQTYUTPJJ-HTQZYQBOSA-N	410.236	5.181	30	20	HKED	
Cc1cccc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1	920112834	LETPQVMMPGJRCS-HNNXBMFYSA-N	400.425	5.532	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C=O)s3)CCC2)cc1	1789451701	TXDRPANIOSTSRE-FQEVSTJZSA-N	422.550	5.077	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3C)cc2)CCC1	1789962292	HIJAUKLSXPKKDH-UHFFFAOYSA-N	419.569	5.439	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1)C(F)(F)F	1791325596	OOHDRBULBVZNJJ-IKGGRYGDSA-N	420.475	5.065	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(C)c2)cc1	10167610	MXNBFLMVCWFVNV-UHFFFAOYSA-O	423.627	5.964	30	20	HKED	
Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1	10317361	QGBSSWUSUVBIEY-INIZCTEOSA-N	423.567	5.018	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccccc1Cl	10827012	HEHAWRSPWGCDII-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccccc1C	11166352	XMSPYWWZRJVBFX-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CCN(Cc1ccccc1C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161786	MQWOOEHWOBOYKF-UHFFFAOYSA-N	413.521	5.694	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccccc2)cs1	51534897	JWSOYPOTHXEFGW-GOSISDBHSA-N	413.458	5.145	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1	55820534	IBUFWOQSUYZBTJ-UHFFFAOYSA-N	408.548	5.209	30	20	HKED	
N#Cc1cccc(OCCSc2nnc(-c3cccs3)n2Cc2ccccc2)c1	59405511	XEVMZAAYSCSKEK-UHFFFAOYSA-N	418.547	5.098	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2C#N)C1	64868312	WAIATTKRQZCYGH-NSHDSACASA-N	424.507	5.029	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)o2)c(C)c1	65072228	MCEFBHXIMZTSLY-UHFFFAOYSA-N	413.524	5.108	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	72041274	PFLRKXQUKODZKO-XMMPIXPASA-N	413.477	5.728	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@H]1CCCO[C@H]1c1ccccc1	303049266	UWBFTOHXXCIZEU-ZHRRBRCNSA-N	409.436	5.288	30	20	HKED	
CC(C)c1nc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2s1	303132774	KPMXMVGTAOBFPO-UHFFFAOYSA-N	417.490	5.716	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1	429694421	BDBWGHRUMVFIAR-UHFFFAOYSA-N	404.898	5.006	30	20	HKED	
COc1ccc(-c2nc(CN[C@@H](CCCC#N)c3ccccc3)cs2)c(OC)c1	433015657	LPULBPOOCKMHTP-NRFANRHFSA-N	407.539	5.352	30	20	HKED	
Cc1ccc([C@@H](NC(=O)CN[C@H](CCCC#N)c2ccccc2)c2cccs2)cc1	433029348	SBRVTSDXXVEWSX-RCZVLFRGSA-N	417.578	5.287	30	20	HKED	
Cc1ccnc(Oc2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)n1	433034055	XSFCONPPGUOLDY-NRFANRHFSA-N	401.470	5.134	30	20	HKED	
Fc1cccc2[nH]c(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cc12	436416754	VZDVOUKNQYCOLT-QGZVFWFLSA-N	404.329	6.109	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437496248	KLHUWULGECXFGO-UHFFFAOYSA-N	403.413	5.090	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccncc1	437955277	OHPGRKIXZFDUKI-OAQYLSRUSA-N	420.900	5.458	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438651078	SYLLJLFPQWMOAS-OAHLLOKOSA-N	405.429	5.381	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)Cc3nnc(-c4ccc(C#N)cc4)o3)cc2c1	441438989	UTYPHHIREIIKPR-UHFFFAOYSA-N	424.460	5.458	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c2ccccc21	444302800	BXWUFPUXPQVUBY-JOCHJYFZSA-N	412.493	5.454	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncnc3sc(C)cc23)c1	447329201	IDCYKMCNNJEGKI-INIZCTEOSA-N	410.568	5.044	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)nc2ccccc12	464581906	KAQWSHWIWASMPT-UHFFFAOYSA-N	408.339	5.033	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1	466140316	BWQZAUCNSNTIIS-JAXLGGSGSA-N	403.526	5.422	30	20	HKED	
CCOc1c(Cl)cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1Cl	469061460	RGQBBQZFUFXPMQ-UHFFFAOYSA-N	420.296	5.011	30	20	HKED	
C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1noc(-c2ccccc2)n1	472669443	CWGJEQJBWTUQID-KRWDZBQOSA-N	424.460	5.086	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1	475543604	DYUXTMOCIKKQFE-UHFFFAOYSA-N	418.484	5.812	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1	475573870	UBDDFJVVGWNZEZ-GOSISDBHSA-N	403.530	5.344	30	20	HKED	
Cc1ccc(-c2cc(-c3nnc(SCCCCC#N)o3)c3ccccc3n2)cc1	475786335	HJGOTRRNOCHGAR-UHFFFAOYSA-N	400.507	6.046	30	20	HKED	
C[C@H](SCCCOc1cccc(C#N)c1)C(=O)Nc1ccccc1C(F)(F)F	477355232	QPRQFFSCNZLWHH-AWEZNQCLSA-N	408.445	5.106	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	480583018	GGTZWVMSLHFZHE-KUHUBIRLSA-N	403.404	5.545	30	20	HKED	
N#Cc1cccc(OC2CCN(Cc3nc(-c4c(F)cccc4F)cs3)CC2)c1	480773891	YAAYVOIBVSYKRG-UHFFFAOYSA-N	411.477	5.003	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(C)cc1	481380015	VWJBLYFTGAOQSD-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1nccc2ccccc12	483213302	BCWXJIWQFHFQMT-LJQANCHMSA-N	401.516	5.474	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC(n2c(CC)nc3ccccc32)CC1	485469165	TZMDHVDKUWRSKO-UHFFFAOYSA-N	405.567	5.354	30	20	HKED	
COc1cc(CSCc2ccc(CO)cc2)ccc1OCc1cccc(C#N)c1	486103506	NLQUDRISOFXKIS-UHFFFAOYSA-N	405.519	5.072	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccccc1C	488882636	QMJKPRXCMDPOPM-MRXNPFEDSA-N	403.511	5.343	30	20	HKED	
C=C(C)Cn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1ccncc1	489403377	HHICGMSPIIBYPP-UHFFFAOYSA-N	415.522	5.396	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2F)nc1	490157151	GJILAFVHZSALBJ-UHFFFAOYSA-N	404.445	5.327	30	20	HKED	
CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494237714	MNYOHERTYHSXCB-CYFREDJKSA-N	405.542	5.764	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1c(Cl)cccc1Cl	499818654	ZIFJUSZUYXXCTR-WWGRRREGSA-N	413.226	5.497	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C(C)C	500179049	VTIHIZNMCFOXRG-UHFFFAOYSA-N	416.525	5.365	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)cc1	501438775	VINJMFUYGRDHDL-UHFFFAOYSA-N	424.422	5.532	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32	501565236	GGNGVYKIWTYHSO-JTSKRJEESA-N	408.542	5.160	30	20	HKED	
CC(C)(C)c1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)n(C(C)(C)C)n1	503484460	DWGVJGMCYZEYRL-UHFFFAOYSA-N	405.546	5.128	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)n1	503486554	JAHWLGHHPFMHBM-UHFFFAOYSA-N	400.507	5.311	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	505449169	KZZQFKANJFCEAP-HNNXBMFYSA-N	402.306	5.671	30	20	HKED	
CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21	510006125	FTOREJFGUCOOMU-MRXNPFEDSA-N	420.307	5.161	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccc(C#N)cc2)ccc1Cl	515683750	JJKOSEJUZXPREP-UHFFFAOYSA-N	417.896	5.126	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(C[C@@H]3CCOC3)C3CC3)cc2Cl)cc1	515799844	CODIJXLXELTGOV-INIZCTEOSA-N	411.889	5.037	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)CCCCOc3cccc(C#N)c3)c(C)c2c1	517646242	UQQLGPJIACYGMH-QGZVFWFLSA-N	406.482	5.048	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1	517691766	ZCJGSSIHORMXNP-UHFFFAOYSA-N	422.475	5.461	30	20	HKED	
C=CC1CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1	518909839	IMKMVJZAANTQBB-UHFFFAOYSA-N	403.309	5.284	30	20	HKED	
N#Cc1cc(Oc2ccc(NCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)ccn1	519491308	MMBFBAYWYNEWCK-UHFFFAOYSA-N	413.264	5.103	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccccc1Br)c1ccc(Cl)c(Cl)c1	520271477	QZIJELQGPXJADR-MRXNPFEDSA-N	412.114	5.070	30	20	HKED	
CC(C)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1	521555537	LFRPLKLEDHWEMX-LBPRGKRZSA-N	416.978	5.590	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)n1	522305489	QBPHESKFCHDGCO-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1	522639120	VSDNROXGOOCYPL-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)c1cccc(COc2cccc(C#N)c2)c1	524525612	KCMOXAWXFVMOLN-UHFFFAOYSA-N	413.502	5.019	30	20	HKED	
C=C[C@@H](CC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1	534736716	WOYGUJUVXLVPCE-IBGZPJMESA-N	402.469	5.054	30	20	HKED	
CCCCn1c(SCCCC2(C#N)CCOCC2)nc2sc(C)c(C)c2c1=O	538409946	GQZWUBJJLDMFHP-UHFFFAOYSA-N	419.616	5.068	30	20	HKED	
Cc1cccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1I	539175623	VUCSCSUJBBNGNE-UHFFFAOYSA-N	424.307	5.083	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	539745463	JIRQBSOOILXGPL-WOJBJXKFSA-N	401.432	5.055	30	20	HKED	
C[C@H](C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)c1ccc([N+](=O)[O-])cc1F	541615027	YDPIQUGWDRLOKM-LBPRGKRZSA-N	421.453	5.175	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)N[C@H](c1c(F)cccc1F)C(F)(F)F	544029462	BNNHFCXAOGVNDD-HKJQSTPSSA-N	403.313	5.443	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)s1	544249912	KDHIIOQGQWQSFD-FQEVSTJZSA-N	417.538	5.148	30	20	HKED	
N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3Oc3cc(F)cc(F)c3)n2)c1	544629283	QEBUUHXADNGJIE-UHFFFAOYSA-N	416.387	5.067	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	546922060	XUUIHBBRMIPUOZ-WMLDXEAASA-N	409.839	5.848	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2cc(Cl)c(F)cc2Cl)CC1	551011800	BEITWKGHHPSSNS-UHFFFAOYSA-N	407.272	5.124	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](c3ccncc3)C2)cc1	561961093	YRTFSQUAJOFADD-JOCHJYFZSA-N	413.546	5.265	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571453892	KBOXUNOZGFBALO-CQSZACIVSA-N	408.408	5.249	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1cccnc1Sc1ccc(Br)cc1	575949461	VSOQJIZBPRZEQC-UHFFFAOYSA-N	418.360	5.055	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)Nc2cc(C#N)ccc2OC(F)F)o1	581755377	IQBKYVPKHSBMMR-QGZVFWFLSA-N	403.429	5.464	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc2cc(F)ccc2s1	592974416	WOEYFRMSJQIESP-LBPRGKRZSA-N	415.371	5.492	30	20	HKED	
N#Cc1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)c1	594668867	OVONLIGYLMBKAC-UHFFFAOYSA-N	420.494	5.100	30	20	HKED	
CCOc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C	603627469	ULZFLIQWESSBDE-AWEZNQCLSA-N	404.413	5.512	30	20	HKED	
Cc1cc(C)c(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(C)c1	603818530	PSGKTEQGGTTZHE-UHFFFAOYSA-N	417.534	5.358	30	20	HKED	
CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1c(C#N)cnc2ccc(OC(F)F)cc12	604520314	DQSOSZINQWZMLH-UZUQRXQVSA-N	423.463	5.312	30	20	HKED	
CC(C)c1nc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1	608841661	XDLQJTUDYJWMQQ-UHFFFAOYSA-N	406.511	5.295	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1	608870645	LSJOOWBLIOVWFW-NRFANRHFSA-N	421.928	5.683	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609103840	DLPDRMWXYKAJFW-UHFFFAOYSA-N	424.859	5.120	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc4ncsc4c3)cc2F)c1	609106734	PVFNURASMXIYBD-UHFFFAOYSA-N	403.438	5.138	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCc2ccncc2)cc1Cl	609164898	ZURJWOBHRFLSJD-HXUWFJFHSA-N	407.926	5.262	30	20	HKED	
Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2	609295948	FTMVUJUOYIRMMI-RUZDIDTESA-N	411.505	5.449	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccccc1OC(F)F	609388604	MLUIDPCJCUZZMS-CQSZACIVSA-N	422.522	5.412	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Cl)cc1Cl	609438480	HDPNXIFONVBJTK-ZDUSSCGKSA-N	408.354	5.752	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c2)cc1	609990689	IHYADACZTZYSRU-UHFFFAOYSA-N	415.468	5.125	30	20	HKED	
Cc1cccc2sc(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)c(Cl)c12	611572565	JYTGXUNOIRDXEZ-UHFFFAOYSA-N	410.861	5.312	30	20	HKED	
CSc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346317	GVMCVDRFHHIHLT-AWEZNQCLSA-N	419.358	6.329	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1Cl	726626168	AAISSUCIAWMWLM-VIZOYTHASA-N	424.856	5.636	30	20	HKED	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	727234211	ZEJKLWDQXUKAPO-ZFWWWQNUSA-N	416.424	5.473	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc4c(c3)OCCCO4)cc2)cc1	727279646	SMACWUXLWAWEFI-UHFFFAOYSA-N	417.490	5.321	30	20	HKED	
CCOc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	728175095	IGMXRTKQIZVVLW-UHFFFAOYSA-N	421.497	5.484	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)nc(Cl)c3)cc2F)c1	728186993	OTLPKSWBJCZNMZ-UHFFFAOYSA-N	416.239	5.230	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@H](c2ccncc2)c2ccc(F)cc2)cc1OC	728415561	JOAIFDJNPPXRIE-YGGPNUISSA-N	419.452	5.140	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](c1ccccc1)C(F)(F)F	728767206	XLOBTERVHWCDCY-RTBURBONSA-N	416.443	5.195	30	20	HKED	
COc1ccc2oc(C(=O)/C=C\c3ccc(OC)c(OCCCC#N)c3)c(C)c2c1	729151712	WDNFTCAELWJPHH-TWGQIWQCSA-N	405.450	5.337	30	20	HKED	
CC[C@@H](/N=C/c1cc(Br)cc(Br)c1O)c1nc(C)cs1	729641076	BNQIKMZYMJMSAB-CCXXMQEHSA-N	418.154	5.252	30	20	HKED	
Cc1ccc(S[C@@H](C(=O)NCc2ccc(OCC#N)cc2)c2ccccc2)c(C)c1	729970260	XPSXZZNKZODJOH-XMMPIXPASA-N	416.546	5.356	30	20	HKED	
C[C@H](NC(=O)c1ccsc1NC(=O)c1ccccc1Cl)c1ccc(C#N)cc1	730209875	DKZQLTTUCNRICU-ZDUSSCGKSA-N	409.898	5.016	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c2c1	730481278	IJAHHIDKHOHLNK-UHFFFAOYSA-N	422.488	5.540	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CCCCOc1cccc(C#N)c1	731973930	PEFPWGBSPQOQKZ-UHFFFAOYSA-N	409.486	5.093	30	20	HKED	
Cc1cccc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2C)c1	734083797	TYMJTDLTPOLDHX-OAQYLSRUSA-N	412.518	5.411	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cc(-c3ccccc3)on2)cc1	736005553	LCTOGVLYLRFCKH-UHFFFAOYSA-N	423.472	5.168	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1	740050288	LCKCCYGXMXMKAG-UHFFFAOYSA-N	410.568	5.040	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SCC(F)F)cc2)ccc1OC(F)F	741842526	LVHVUQVFWXNYCD-WAPJZHGLSA-N	400.393	5.550	30	20	HKED	
N#CCOc1ccc(CC(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)cc1	742016822	GIWSNVULCVTLOG-UHFFFAOYSA-N	416.443	5.126	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	743099069	RJXHQNFSOWICLX-UHFFFAOYSA-N	417.440	5.042	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(-c2ccncc2)cc1	745990190	MZGVDBZYLKUXMW-SREVYHEPSA-N	412.470	5.497	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)ns2)cc1	747203679	CVWXRZHVLAYUDT-HNAYVOBHSA-N	403.507	5.285	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	749380446	WFBAHRXASRWERS-SNAWJCMRSA-N	416.321	5.273	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1N1CCSCC1	749823081	RGUSZIMEPGOCQD-UHFFFAOYSA-N	413.546	5.339	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)/C=C/c3cc(C)n(C4CCCCC4)c3C)nc12	750724107	MFHIIOIAXFQXMY-SQUSKLHYSA-N	401.514	5.080	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Br)n1	755674685	RFXHKRXKMRNMID-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1noc(C)c1-c1ccc(OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	759884235	XTOCFTFRDNPFOL-UHFFFAOYSA-N	411.417	5.237	30	20	HKED	
C[C@H](OC1CCCCCC1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	761109889	MKOVEGOSYGJRLJ-DZGCQCFKSA-N	404.482	5.392	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(C2CC2)no1	761489388	VSZYSQMDPQSKGB-LBPRGKRZSA-N	409.829	5.182	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N(CCc1ccccc1)Cc1ccccc1	761662978	XNYYJQZXCOIFEG-UHFFFAOYSA-N	403.457	5.005	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@H]2c2ccccn2)c1=S	764910681	WMCSMBBPCVFZIQ-IBGZPJMESA-N	411.962	5.110	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1	774037917	UIGFTISMDDFCCR-OAHLLOKOSA-N	412.946	5.308	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1	776182981	RBURFUYTVROHJM-COPCDDAFSA-N	418.459	5.019	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)C(=O)c1ccc(Cl)cc1	777303468	APCQORFHTFIASC-DOMZBBRYSA-N	415.827	5.170	30	20	HKED	
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1N[C@@H](C)c1ccc(OCC#N)cc1	777630909	UCAOFXJSSQLIQM-GGPKGHCWSA-N	405.542	5.189	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1O[C@H](C)C#N	780168690	CPBXUMJPJRVJAG-LLVKDONJSA-N	416.264	5.500	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1ccccc1O[C@@H](C)C#N	780681682	OBOHWPRJBYAMGX-RDJZCZTQSA-N	420.538	5.634	30	20	HKED	
N#C[C@@H](COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Cc1cccs1	783422999	WIBZGXMGPFOSGL-HNNXBMFYSA-N	409.894	5.172	30	20	HKED	
Cc1nc2cc(C(=O)OC[C@@H](C#N)Cc3cccs3)ccc2n1Cc1ccsc1	788365358	LQPZAYVDXPUZQA-QGZVFWFLSA-N	421.547	5.055	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccco3)s2)CC/C1=C/c1cnc(-c2ccco2)s1	789127919	PGZYUYBHUONDAY-FOIMCPNXSA-N	406.488	5.950	30	20	HKED	
COc1cccc([C@@H](C)CCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1	789408263	MVIIIFXBYDYNLN-OXJNMPFZSA-N	405.523	5.364	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C[C@H](CC#N)c3ccccc3)ccc21	793348824	NJHUNFHDGLKPHK-SFHVURJKSA-N	405.498	5.010	30	20	HKED	
C=CCn1c(-c2ccccc2C)nn(CN2CC(C)(C)[C@@H]2c2cccnc2)c1=S	793574333	RLADRXIJTFFKPN-FQEVSTJZSA-N	405.571	5.011	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)[C@H](O)c3cccc(C(F)(F)F)c3)c2)cc1	796153458	WGNJXUNBCQOKIZ-HXUWFJFHSA-N	412.367	5.041	30	20	HKED	
N#CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	814288295	VIJJYFHDHRIBIL-YBEGLDIGSA-N	420.437	5.014	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1	814307524	LWDGYGTUSTXWBR-KXBFYZLASA-N	423.904	5.185	30	20	HKED	
C[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ncc(-c2ccc(Cl)cc2)o1	815477022	RYRYPJZPADPDGL-JTQLQIEISA-N	421.762	5.198	30	20	HKED	
CCCCCCCCC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1	900084843	BFDOHWUXBISSJO-INIZCTEOSA-N	410.484	5.205	30	20	HKED	
N#C[C@H](C(=O)CCc1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915102797	HNMUYGWHGFXOBJ-OAHLLOKOSA-N	402.306	5.321	30	20	HKED	
CCCCCCOc1ccc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc1OC	916154538	JVJHVSDMKBKTSJ-HMMYKYKNSA-N	402.560	5.157	30	20	HKED	
CC(C)(C)[C@@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2C1	916908130	YRGFLUGRHSPWDB-CABCVRRESA-N	414.958	5.514	30	20	HKED	
Cc1nc(NC(=O)c2ccc(COc3ccccc3C#N)o2)sc1-c1ccccc1	917099902	DELZWGFXXUFEDB-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
COc1ccc(Cl)cc1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl	917537509	MIEWXXXQVBPCBU-UHFFFAOYSA-N	413.717	5.085	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(C(C)C)cc2)cs1	917560023	QAALYBGSMVSNCF-KAMYIIQDSA-N	404.535	6.156	30	20	HKED	
CCCCS[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	918489373	KUSZGAOWOOALEZ-BXUZGUMPSA-N	413.395	6.215	30	20	HKED	
CC[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(C)cc1	920800322	DZSOMNKMIYPCEG-HXUWFJFHSA-N	419.481	5.026	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1	920803775	CDDSUMDLQCKLQV-IDVQTMNDSA-N	423.469	5.588	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccccc2Cl)nnc1[C@@H]1COc2ccccc2O1	23592322	OFUFJJWMJSQZHI-LIRRHRJNSA-N	413.930	5.483	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSCc2cccc(Cl)c2)cc1	58499098	PHGXESSXYRHIPR-UHFFFAOYSA-N	412.864	5.036	30	20	HKED	
CC(=O)N(c1nc(COc2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl	71857970	WJSNJKNJVPOSJP-UHFFFAOYSA-N	411.914	5.549	30	20	HKED	
CCN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](C)c1cc2ccccc2o1	195634722	RTXCEOFVWANZGV-MRXNPFEDSA-N	414.427	5.596	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1	253489248	DPBJCHQDHKTKFJ-QMMMGPOBSA-N	415.733	5.045	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	303033728	OHJLNDVGUNVDRY-ZDUSSCGKSA-N	424.394	5.017	30	20	HKED	
C[C@@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	409711338	KYZBKTYUGFKTSE-SECBINFHSA-N	407.276	5.152	30	20	HKED	
CC[C@H](NC(=O)c1ccccc1)c1noc(-c2sc3ccc(C#N)cc3c2C)n1	426586411	CCUUICKXARLBDF-KRWDZBQOSA-N	402.479	5.013	30	20	HKED	
COc1cc(Cl)c(Br)cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	429114743	MPIYOCXELSYCAX-SNVBAGLBSA-N	413.724	5.181	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)[C@@H](C#N)CCc3ccccc3)C2)nc2ccccc21	433343143	MDPPVQWUGAYWQB-FGZHOGPDSA-N	414.553	5.096	30	20	HKED	
CCc1ccc([C@H](COC)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1	438035080	WTZCCDYZOXEXBJ-NRFANRHFSA-N	405.454	5.015	30	20	HKED	
CC1CCN(c2cccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)CC1	438297258	HABKDMIJCPFSJQ-BJKOFHAPSA-N	402.542	5.227	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1SCC(F)F	438323037	PCFQVQYPFULSRD-AEFFLSMTSA-N	419.472	5.487	30	20	HKED	
COc1cc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1C#N	440639065	OZHXRCJLHWAQJH-MRXNPFEDSA-N	402.338	5.369	30	20	HKED	
CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(-c2ccc(F)cc2F)n1	442682515	UGTJQGQBDLSQCR-OAHLLOKOSA-N	420.419	5.215	30	20	HKED	
Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(C#N)c1C	445996827	SISZDRUUAZEJTK-URKNILKWSA-N	419.447	5.040	30	20	HKED	
C=CCN1CCC(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1	446037658	PXUFLPNXSKOJPF-UHFFFAOYSA-N	404.938	5.011	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCC(=O)Nc2ccc(F)cc2Cl)cc1F	463231759	ZIOFBBPWXPRREK-UHFFFAOYSA-N	413.811	5.333	30	20	HKED	
CCNC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C	468961451	OIWAVJJFPMAFAH-UHFFFAOYSA-N	414.465	5.053	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(Oc2ccc(F)cc2F)c1	469072018	PUWXZQHCOVGHBI-PZJWPPBQSA-N	419.431	5.064	30	20	HKED	
CCN(Cc1csc(CC(=O)Nc2ccccc2C)n1)[C@@H](C)c1ccc(C#N)cc1	470963518	LPIFSODBBUBUJB-SFHVURJKSA-N	418.566	5.088	30	20	HKED	
N#CCSc1cccc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)c1	474966024	PEIWRFLJWIIXSY-UHFFFAOYSA-N	415.356	5.117	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(I)ccc1F	476119108	GMHOCZHCPXWWJI-UHFFFAOYSA-N	423.269	5.535	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	477953356	DELNRBMNKZUORJ-AZUAARDMSA-N	412.331	5.315	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	480581889	TVEXQVINGJOFPP-GCJKJVERSA-N	422.598	5.113	30	20	HKED	
C[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cc2ccccc2o1	482118039	BRBPDKOQIMZOJI-CYBMUJFWSA-N	420.519	5.190	30	20	HKED	
C=CC[C@H](C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccccc1	488618921	JECLLQHBMSHGSR-CVDCTZTESA-N	416.521	5.206	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1-c1ccncc1	489438354	OBEWMPUYYWUJQR-SFHVURJKSA-N	406.555	5.205	30	20	HKED	
CCN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	496575960	XDOYLKOMNBRFJW-HHHXNRCGSA-N	411.549	5.647	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1C#N	501747878	IWJKEOVIFXLDHI-UHFFFAOYSA-N	424.529	5.236	30	20	HKED	
COc1cc(C2(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)CC2)ccc1C	501856914	UCWGGTQXWWDURI-UHFFFAOYSA-N	412.489	5.125	30	20	HKED	
N#C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cccc(Cl)c1Cl	505344789	QBZCROLNPKATOR-KRWDZBQOSA-N	423.727	5.076	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1	505922090	DTCANRONSXSDNJ-KRWDZBQOSA-N	422.287	5.112	30	20	HKED	
COc1cc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCCC(C)C	506252186	FOBFCAXKGHEYDC-SFHVURJKSA-N	423.557	5.804	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1	506431965	YIGPYYQSCBOJIU-ICSRJNTNSA-N	407.489	5.563	30	20	HKED	
CCN(C(=O)CCCOc1cccc(Br)c1)[C@H](C)c1ccc(C#N)cc1	509564706	PKQOUCHFAXTKMS-MRXNPFEDSA-N	415.331	5.089	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCNC1CCCCC1	510341313	XNDQZNXJHWEQTL-UHFFFAOYSA-N	406.530	5.093	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2ccc(Br)cn2)cc1	510415740	UTPPCKAUYMTGKU-UHFFFAOYSA-N	410.290	5.057	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC	515006647	KDCFFGJTDIUKFG-UHFFFAOYSA-N	417.465	5.156	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1	517530180	KJRNFMZXRYWXOC-AZUAARDMSA-N	409.555	5.294	30	20	HKED	
C[C@H](NC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1Cl	517924316	WYIQWZHRPWLZDH-INIZCTEOSA-N	405.885	5.293	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1OC1CCCC1	518168872	MVQRLJSOIRWCEJ-KRWDZBQOSA-N	409.555	5.581	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	518667239	ZMEFPMRPEIBJSS-AWEZNQCLSA-N	407.461	5.459	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccco2)on1	519416164	IRMQXBZEQMXWCT-AWEZNQCLSA-N	413.524	5.201	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	519909138	JKRSSHYHPPILPU-UHFFFAOYSA-N	400.320	5.319	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C(F)(F)F)cc1	521731318	SOKCZDJMHRTVEE-AWEZNQCLSA-N	424.513	5.829	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	521887238	KYLZSQVJIULAEO-MRXNPFEDSA-N	420.296	5.559	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cs2)cc1	523681513	NOSSTZPJSLMLJH-UHFFFAOYSA-N	419.550	5.521	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	524942469	JGAZHAVDNNADQP-ZIAGYGMSSA-N	421.312	5.163	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)nn1-c1ccc(Cl)c(Cl)c1	538581216	LAKBYVXDODITMX-CYBMUJFWSA-N	411.248	5.119	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1	540089626	ORVBYKWPYSAWOV-RDGATRHJSA-N	412.489	5.167	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C)c2nc(-c3ccccc3)cs2)c1C	541660813	SLBAAQMIHFHRBC-IBGZPJMESA-N	418.566	5.024	30	20	HKED	
Cc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cccc1-c1ccccn1	542037309	QEHZCOVMKROQSJ-UHFFFAOYSA-N	413.868	5.020	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1	542636581	QWJKQSQKDYXBDX-MRXNPFEDSA-N	420.538	5.022	30	20	HKED	
O=C(Cc1ccco1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543085757	ZLFIJSSDKGIYST-CYBMUJFWSA-N	419.243	5.280	30	20	HKED	
N#CC1(CCC[S@](=O)Cc2ccc(Oc3ccccc3F)c(F)c2)CCOCC1	543784157	FMGCGKVHGODPTO-LJAQVGFWSA-N	419.493	5.106	30	20	HKED	
C[C@H](C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncccc1F	552804179	ZAZPENYNWBJDPX-JTQLQIEISA-N	408.317	5.020	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c2ccccc21	553311927	PMBJQXPDNVTRFX-UHFFFAOYSA-N	410.449	5.745	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	554759909	HBVHXFWRNMVFCC-WOJBJXKFSA-N	424.545	5.532	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(OC(F)F)c1	555007397	HCVNACZVQGEUGW-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCC(=O)N(CCCC)[C@H]2c2ccccc2OC)n1	556360600	AONQOEFOUMHDNK-NQIIRXRSSA-N	411.546	5.179	30	20	HKED	
CCc1ccc([C@@H](C#N)N(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1	556667481	GUHCYXCQSWPOQL-HXUWFJFHSA-N	409.942	5.292	30	20	HKED	
C=CCN(CCC#N)C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	557383893	UBFGAKHODWKQEY-CYVLTUHYSA-N	417.534	5.164	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1	557586315	CBOHBCNBPQOFJJ-HSZRJFAPSA-N	403.522	5.093	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(OC(C)(C)C)CC1	558991229	FZMJKGLCZVYKAD-UHFFFAOYSA-N	414.619	5.239	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1N[C@H](C)c1ccccc1	564189901	ZACJROIQPDEZBA-QGZVFWFLSA-N	414.509	5.020	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1	567811998	ZILQKWCUKTZSGO-QFIPXVFZSA-N	418.456	5.201	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2SCc2cccs2)CC1	569236975	NBWGRFCUUNSTRH-UHFFFAOYSA-N	419.575	5.133	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571815943	UNCQKOKBEHBRQQ-OAHLLOKOSA-N	419.868	5.247	30	20	HKED	
O=C(N[C@@H]1CCC[C@@H]1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	580354544	ITIUOVLJVRBOGG-NJQOBXSUSA-N	415.393	5.116	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(NC(=O)CCC)c1C	582743598	BMQHPYQMKQBBSR-UHFFFAOYSA-N	411.550	5.121	30	20	HKED	
C[C@@H](NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccc(C#N)cc1	603510445	QAASYBAWDZEYHC-QGZVFWFLSA-N	411.480	5.656	30	20	HKED	
CC(C)n1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccc(Cl)cc1Cl	604053286	WTALBORVFXDFBK-INIZCTEOSA-N	417.365	6.060	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1C#N	609032363	DXRZBPLZVOXBJC-UHFFFAOYSA-N	402.479	5.255	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)cc1	609125435	NTJAATCVSLMSGZ-UHFFFAOYSA-N	422.469	5.598	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3Oc3cccnc3)c2)cc1	609176165	ALFOZGDXWHQERV-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1	609432754	PCHCVZDPFIVXLP-FQEVSTJZSA-N	400.522	5.775	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2cccs2)Cc2cccs2)c1	609497677	WCXNXLMLLKEWJN-UHFFFAOYSA-N	410.564	5.459	30	20	HKED	
Cc1nc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc2o1	609729838	VZYHPFYPOFQYKE-UHFFFAOYSA-N	403.825	5.706	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N(CC(F)(F)F)c3ccccc3)cc2)cc1	609786478	YUEVBJYAGZFQBH-UHFFFAOYSA-N	410.395	5.754	30	20	HKED	
CC(C)c1cnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1C(C)C	610034006	JXHJQDLQGHUZKD-ZDUSSCGKSA-N	402.589	5.129	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(NC(=O)CC(C)(C)C)cc3)c2C#N)C1	610167961	GVUIGSMQPDFDQK-OAHLLOKOSA-N	423.582	5.300	30	20	HKED	
N#Cc1cc(Cl)ccc1SCC(=O)Nc1ncc(C(F)(F)F)cc1Cl	610654926	IQVXFWUGMFPMID-UHFFFAOYSA-N	406.216	5.010	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)c2C)c1	611128279	KYHKQJRFNRFUFT-SFHVURJKSA-N	415.493	5.337	30	20	HKED	
CCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc(C#N)c(Cl)c1	611359685	WUVHCAPJHOXDPV-UHFFFAOYSA-N	417.868	5.939	30	20	HKED	
CC1(C)CC(=O)c2sc(NC(=O)c3ccccc3-c3ccccc3C#N)nc2C1	611962001	JTDJCOOIZNISES-UHFFFAOYSA-N	401.491	5.089	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)cc1	621794829	XYBGKMHNNIGMGO-FQEVSTJZSA-N	405.542	5.343	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1C(F)F	676177644	PMKIBQUWEMBGNK-UHFFFAOYSA-N	415.284	5.217	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(C#N)c(Cl)c2)s1	726480553	JLQAPVMQAXZHFS-UHFFFAOYSA-N	401.944	5.574	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccc(OCc2ccccc2)cc1	727750504	BWNCULJKJUTHGJ-OAQYLSRUSA-N	424.472	5.575	30	20	HKED	
Cc1cc(C)c(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1	728200923	UCVPMEQSGPHDPM-UHFFFAOYSA-N	417.484	5.252	30	20	HKED	
Cc1ccc(-c2ccc(CN(C(=O)Nc3cccc(OCC#N)c3)C(C)C)s2)cc1	729035686	AOWXJHKVSBLEFE-UHFFFAOYSA-N	419.550	6.068	30	20	HKED	
FC(F)(F)c1cc(NN=Cc2ccc(Cl)cc2Cl)nc(-c2cccnc2)n1	733080327	KFZPFIIJBJJAFS-UHFFFAOYSA-N	412.202	5.310	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2OC(C)C)c1	735753275	PHVQOBSGIGMVHK-MRXNPFEDSA-N	401.894	5.130	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3nc(S)oc3c2)cc1	735880408	UMEZSUOXYLREFO-UHFFFAOYSA-N	417.446	5.041	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3ccc(C)c(C)c3C2=O)cs1	737445105	WACMVUDXJXAUGY-WQRHYEAKSA-N	418.518	5.412	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)NCc2cccc(O[C@H](C#N)CC)c2)o1	740479160	OFHRYMOXPYMDFI-RBBKRZOGSA-N	409.530	5.350	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cnc(-c4ccccc4)[nH]3)s2)cc1	742435571	YNOWCIAVPPOEES-JLHYYAGUSA-N	401.491	5.413	30	20	HKED	
C#CCOc1cccc(NC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1	743148343	YBEJMVYATVZNGX-LJQANCHMSA-N	414.505	5.599	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1	743610314	CIKOUIUJNDAMME-YWASFDNLSA-N	411.933	5.217	30	20	HKED	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744964032	SJOJCSKHAUAPMT-PWSUYJOCSA-N	420.387	5.010	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnn(-c2ccccc2)c1	746349322	WIZWTPPIUUUGBL-BUHFOSPRSA-N	417.472	5.016	30	20	HKED	
CC[C@H](Oc1ccccc1C)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	750691288	LNKPABAZIBATDU-ICSRJNTNSA-N	406.507	5.161	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)n2)c1	759991833	FLJFERSQZSMMCH-UHFFFAOYSA-N	408.792	5.001	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc2ccccc2n1Cc1ccccc1F	760789127	HIBJENUBGBDLRZ-UHFFFAOYSA-N	417.415	5.122	30	20	HKED	
C=CCn1c(-c2cccs2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S	764935508	ZCXRXAXNJXRLFO-UHFFFAOYSA-N	409.584	5.068	30	20	HKED	
C#Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1	772225017	SBJGHLJEKDDCGL-GOSISDBHSA-N	417.534	5.212	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCOc3c(Br)cccc32)c1	772986401	WSSKEJRQBZJAHH-OXJNMPFZSA-N	415.331	5.134	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)oc2c1ccc1ccccc12	786545266	AUQFRLCYQPZBPY-FQEVSTJZSA-N	416.864	5.187	30	20	HKED	
CCNc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	793130613	RNFXRRQEOXKEBD-QGZVFWFLSA-N	406.898	5.257	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CC(C)(C)c3ccccc3C2=O)cs1	794967048	BIWMYGZXNFZHQE-FOWTUZBSSA-N	420.509	5.914	30	20	HKED	
C[C@H](N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccc(OCC#N)cc1	797588839	ZHTNHYIRBHIRAE-JQFCIGGWSA-N	403.295	5.087	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNc2c(C#N)cnc3c(Br)cccc23)c1	799321327	ZSZOXGPTTICSHZ-MRXNPFEDSA-N	421.298	5.162	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cnn(C3CCCC3)c2)cc(Br)c1OC	799898609	WNPNBRYSMJXFIC-HJWRWDBZSA-N	419.319	5.064	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1	802035377	GBZYLYLMLMJCFP-MGPUTAFESA-N	400.478	5.010	30	20	HKED	
Cc1nn(-c2ccccn2)c(C)c1/C=C\C(=O)c1c[nH]c2cc(Br)ccc12	802703961	GHXAQRNUQXUOKG-HJWRWDBZSA-N	421.298	5.024	30	20	HKED	
C=CCN(C(=O)c1sc(Br)nc1C)c1nc(-c2ccccc2)cs1	813393514	WCZRAHCPBQMUHJ-UHFFFAOYSA-N	420.357	5.170	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cnn(-c3ccc(Cl)cc3)c2)S1	915983450	FESDVZLUFSOJHD-ZDLGFXPLSA-N	408.914	5.034	30	20	HKED	
Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)c1C	916849101	RZDICNUNWRCPKM-LJQANCHMSA-N	412.518	5.006	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2COC)cc1	916955069	MBTYUOKESMPZEB-KXBFYZLASA-N	404.466	5.054	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(Br)c1)c1nc(-c2ccccc2)cs1	917025403	JDIRLFPWDKUSBO-KRWDZBQOSA-N	411.324	5.382	30	20	HKED	
N#C[C@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc2cc(Cl)ccc2s1	917046170	GSVPNRUAHDBILC-GFCCVEGCSA-N	415.952	5.554	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)o1	917046736	NKIHKHHYHIYWOH-ZDUSSCGKSA-N	413.911	5.394	30	20	HKED	
COc1ccccc1/C=C(\C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1	917727817	HXPBUGCTYULOOR-MOHJPFBDSA-N	412.489	5.557	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Oc3ccccc3C#N)C(C)C)n2)cc1	918488932	HBBQTBVJAZUJLT-WMZHIEFXSA-N	415.518	5.270	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3nc4ccccc4s3)n2)cc1	920140458	CMZIYWPBMPOIEC-ZBTGYSDGSA-N	412.499	5.181	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccc4c(c3)CCC4)n2)cc1	920144051	WZUYOFOVGRTIAF-HXUWFJFHSA-N	420.559	5.276	30	20	HKED	
Cc1ccccc1C1(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)CCOCC1	920672100	ILZUSJINOCQRQQ-UHFFFAOYSA-N	411.501	5.325	30	20	HKED	
CCn1c(O)nc2ccc(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)cc21	1556618515	RWUONHKZWSSFTR-UHFFFAOYSA-N	414.490	5.037	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1	1788865427	UIJROFQMBXDCDX-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1	1789453260	SAWNLFKXDAAFET-CGIBVWHJSA-N	404.510	5.195	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1F	7336108	ZLDRJGHIGFWBEL-PKNBQFBNSA-N	409.844	5.636	30	20	HKED	
Cc1ccccc1-n1c(SC[C@H](C#N)CCC#N)nnc1-c1c[nH]c2ccccc12	15234455	KTZUQQKNDQLXTJ-KRWDZBQOSA-N	412.522	5.260	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccccc1	21312775	ZQWQAHAJGQVWLO-ACCUITESSA-N	419.452	5.138	30	20	HKED	
CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H](C)c1ccc(C#N)cc1	42741620	TYUNYOMIALLDIY-LBPRGKRZSA-N	410.732	5.540	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)c(F)cc2Cl)cc1	55823667	QINICBXQBSUUOG-UHFFFAOYSA-N	412.823	5.516	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCSCc3ccccn3)cc2Cl)cc1	63910870	IXJUPRGXNAPOLH-UHFFFAOYSA-N	423.925	5.661	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)N(CCC#N)c3ccc(OCC)cc3)cs2)cc1	111183626	OQHGEOQZWKDPDD-UHFFFAOYSA-N	421.522	5.168	30	20	HKED	
C[C@H](C#N)CN(C)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S	116144287	RLMUCJZXAAPKQM-OAHLLOKOSA-N	411.556	5.259	30	20	HKED	
C=CCOc1ccc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1	236687421	SWERCYPZTJSPTM-UHFFFAOYSA-N	409.533	5.453	30	20	HKED	
COc1cc(C)c([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1OC	237283546	SYWSTQTZAVYCCS-LJQANCHMSA-N	416.521	5.314	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1N(C)Cc1ccccc1	303161108	HTGILAZQRXSXRS-UHFFFAOYSA-N	412.537	5.639	30	20	HKED	
Cc1cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C)n1-c1ccc(F)cc1	303701856	RTCHCHOJBKUFKS-UHFFFAOYSA-N	422.344	5.190	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1	426229943	JEXXCBKSMZSBAM-XPTSAGLGSA-N	405.392	5.118	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	431309703	PUNBNKORSFTEKA-HMXCVIKNSA-N	415.459	5.686	30	20	HKED	
CCOC1(C)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	432679238	IPNHWQOWBBVPLN-HXUWFJFHSA-N	411.933	5.418	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)n1	432918009	NDIUXTUAYPHQQW-FQEVSTJZSA-N	422.579	6.159	30	20	HKED	
COc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc(Cl)c1OCC(C)C	436003519	MACJOLKFWVHERQ-UHFFFAOYSA-N	407.297	5.185	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(CCOCC3)C2)cc1Cl	437734625	IYTGZBDYLGODFP-HXUWFJFHSA-N	409.917	5.030	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1	437831694	CKRTWGPNIQSMET-RDPSFJRHSA-N	417.553	5.158	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1cc(F)ccc1F	439675160	RBHUROOFIITZQG-ZDUSSCGKSA-N	411.383	5.207	30	20	HKED	
C=C(C)Cn1c(Sc2ncnc3sc4ccccc4c23)nnc1-c1ccncc1	440654682	SSVKIXYPNMXDQS-UHFFFAOYSA-N	416.535	5.225	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)CSc1ccc(F)cc1	445823217	BMBFZXRSNCIUCN-MRXNPFEDSA-N	421.497	5.560	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1	464940521	LFAVEEQYNCZCFQ-AZUAARDMSA-N	407.926	5.375	30	20	HKED	
Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cccc(CC#N)c1	472013119	PPNHRXOMSLEWLD-UHFFFAOYSA-N	407.258	5.044	30	20	HKED	
Cc1nnc(-c2cc(F)ccc2NCc2cccc(OCc3cccc(C#N)c3)c2)o1	475346072	FRFQFFSZSWSUPV-UHFFFAOYSA-N	414.440	5.247	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OC(F)F)c(OCC)c1	475551727	YNQGOVBEECZXFB-UHFFFAOYSA-N	418.484	5.860	30	20	HKED	
CC(C)(C#N)CCCSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1	475958917	OWYNINYYIQPNFR-INIZCTEOSA-N	409.559	5.027	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccccc1	476552607	UKPRHNBLFSDPAH-ZDUSSCGKSA-N	422.357	5.243	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1NC(=O)N(C)C	478664278	GYNZSIPBWYZEIG-UHFFFAOYSA-N	414.465	5.005	30	20	HKED	
C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H](c2ccsc2)O1	478864215	AGDIIRKCQUEWBW-AOMKIAJQSA-N	404.491	5.014	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	482012729	DXPAZYXBDUTBTE-FOIQADDNSA-N	402.416	5.348	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1	482465711	WOGXWDZZVAIWSW-UHFFFAOYSA-N	419.569	5.119	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@@H]43)cc2)nc1	485581041	IAKUAKUIYYQJMA-GVAUOCQISA-N	423.516	5.544	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1	485901830	AILLOJOUBWEFKK-UHFFFAOYSA-N	424.547	5.056	30	20	HKED	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	487059921	PDJQTUIPQFTQNJ-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
N#CCCC[C@@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccccc1	487154786	JQFKJEUZMDSHNW-JTHBVZDNSA-N	404.558	5.045	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1	488626118	JYYLTDCYUGKAKW-NRFANRHFSA-N	418.468	5.385	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1	490484808	LLLJFTBZYJILFX-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1c(Cl)cccc1Cl	499812373	NHOWVFFWYRUIEF-WWGRRREGSA-N	424.125	5.240	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)CSc1cccc(C(F)(F)F)c1	501018406	DMSVBPBVPABJIH-UHFFFAOYSA-N	416.424	5.496	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)F)n2)c1	501163251	LYOPECCVHNIWFN-HZPDHXFCSA-N	411.433	5.025	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1	503491063	FVVSBFNWCCIREJ-UHFFFAOYSA-N	409.489	5.458	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cc1	505052167	ZGXQDLCCUQJSGF-UHFFFAOYSA-N	421.294	5.081	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	505448757	FGNKZLFILQKPMH-LBPRGKRZSA-N	422.724	6.016	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1	505927928	GFXRSWWKTCGZAA-UXLLHSPISA-N	412.333	5.209	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1OCc1ccccc1	506239507	WEQOKEVIAQILAI-UHFFFAOYSA-N	413.521	5.259	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510180707	MKXYVRSXZBLOQV-SFHVURJKSA-N	415.562	6.171	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	513153151	FJDXNCHESNUOQF-AWEZNQCLSA-N	421.831	5.676	30	20	HKED	
CCCc1c(NC(=O)c2ccccc2Oc2ccncc2)cnn1-c1cccc(C#N)c1	513742974	OURDHZREXCTANC-UHFFFAOYSA-N	423.476	5.136	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)o1	515647351	JMGNHPLNBVICAB-QHCPKHFHSA-N	412.489	5.412	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)NCc1cccs1	515735632	DPJMULJATPONGB-AWEZNQCLSA-N	411.914	5.182	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)CCCCOc3cccc(C#N)c3)cc2)cs1	517655556	IGWWCLKATQESAV-QGZVFWFLSA-N	419.550	5.417	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	518901923	BXMDYSVUYQGPIQ-GOSISDBHSA-N	400.478	5.387	30	20	HKED	
C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	524442014	MGFKHPHXKIYQBA-INIZCTEOSA-N	420.900	5.411	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCCN(c2ccccc2)C1	524511507	FTEDAXSXQBISFU-HSZRJFAPSA-N	411.505	5.092	30	20	HKED	
N#Cc1cc(NC(=O)N[C@H](c2ccccc2)c2ccco2)ccc1OCC(F)(F)F	524662566	SFEBOFYIPKWCBU-LJQANCHMSA-N	415.371	5.003	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(COc2ccc(C#N)c(Cl)c2)cs1	527368476	SQMWFDMUAJMTTO-UHFFFAOYSA-N	418.305	5.585	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1-c1ccccc1	530694429	DLRUXSMUDYPURY-OAHLLOKOSA-N	403.507	5.267	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(C(F)(F)F)cc3)n2)nnc1C1CC1	535919944	SDDYYPXSIKIELS-UHFFFAOYSA-N	406.433	5.308	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1ccccc1I	538526712	WEWIZUJXTAJJCN-AWEZNQCLSA-N	406.267	5.147	30	20	HKED	
COc1ccc(C[C@H](NCc2ccccc2C(C)(C)C#N)c2ccc(OC)cc2)cc1	540340959	GHGONUNNGVJKIR-SANMLTNESA-N	414.549	5.579	30	20	HKED	
COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1OCC(C)C	541499287	HHOLYMOHFJJADV-SFHVURJKSA-N	421.541	5.037	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542014441	MBMLWUVLOHXWFB-OAQYLSRUSA-N	411.549	5.912	30	20	HKED	
COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)NCc2ccc(C#N)cc2)c1	542415994	MQGPWUMEAKRAHK-RPBOFIJWSA-N	411.505	5.007	30	20	HKED	
N#Cc1ccc(OC2CCC(NC3CC(c4ccc(C(F)(F)F)cc4)C3)CC2)nc1	543075385	VHSZNJHUEGYBLZ-UHFFFAOYSA-N	415.459	5.198	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)n2)cc1	547428832	DSGBDAXBIWAUEC-UHFFFAOYSA-N	407.804	5.606	30	20	HKED	
Cc1ccc2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2n1	550619520	NTBACJWAYJPYIJ-OAHLLOKOSA-N	405.429	5.435	30	20	HKED	
C=CCN(C(=O)Cc1coc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	554676063	QWGSQOQKVXMORV-UHFFFAOYSA-N	419.462	5.226	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C#N)c1ccc(Oc2cccnc2)cc1	558167523	UMCTYYMFPKUNLS-OAHLLOKOSA-N	408.299	5.359	30	20	HKED	
C=CCn1c(-c2ncccc2C)nnc1N(Cc1cccs1)Cc1cccs1	564381246	UXVPJOKUACHGQJ-UHFFFAOYSA-N	407.568	5.164	30	20	HKED	
Cc1cccnc1C(C)(C)CNC(=O)c1ccccc1Sc1ccccc1C#N	568340350	GQJUIPQFLWJXOS-UHFFFAOYSA-N	401.535	5.121	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(F)(c2ccccc2)CC1	568728407	ZQZRKRMMUWFYAU-UHFFFAOYSA-N	420.532	5.036	30	20	HKED	
CCO[C@H](c1noc(/C=C\c2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F	569390897	ZMDYEYCPCDDGOA-KWEPMOPPSA-N	417.362	5.395	30	20	HKED	
C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(OC2CCCCC2)CC1	573819019	MGXBAXCNIZZXJE-UHFFFAOYSA-N	400.592	5.209	30	20	HKED	
COc1ccc([C@@H](Cc2ccccc2C)N[C@@H](C)c2cccc(C#N)c2)cc1OC	580590075	PLSUSSAUJNVPBN-YADARESESA-N	400.522	5.519	30	20	HKED	
CC(C)(C)OC(=O)Cc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	581703950	JPUFVAOUIYNUQK-NRFANRHFSA-N	407.514	5.127	30	20	HKED	
Cc1nc(NC(=O)CCCCCC#N)sc1Cc1cccc(Br)c1	588300057	BRUMWZLKWRQXSJ-UHFFFAOYSA-N	406.349	5.217	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)sc1-c1cccc(Cl)c1	588348196	DNILWRHDVGVCHA-INIZCTEOSA-N	405.910	5.754	30	20	HKED	
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)CCCCCC#N)sc2c1	588821004	KZEHOYUMJXFKRD-UHFFFAOYSA-N	407.539	5.702	30	20	HKED	
N#C[C@H](C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)c1nc2ccccc2o1	596533606	UDUXBZXWUGSDQF-GOSISDBHSA-N	405.413	5.640	30	20	HKED	
Cc1nc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)sc1SCC#N	603775500	JOMGWKISVALNMP-UHFFFAOYSA-N	405.976	5.561	30	20	HKED	
CC(C)c1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1cccc(Cl)c1	603972068	LUIZTNTYSOGUTO-UHFFFAOYSA-N	422.916	5.584	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	604342908	BYAUPRRAKMXBRY-KRWDZBQOSA-N	401.466	5.133	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccccc2)no1	609388766	DFNPEJLNEIJPQL-OAHLLOKOSA-N	424.551	5.003	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](CC(F)(F)F)c2ccccc2)c1	609433179	DLIQMEXQASEHGV-HSZRJFAPSA-N	410.439	5.921	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccccc3SCc3ccco3)n2)c1	611052318	ZIVKWVLFDDUFMV-UHFFFAOYSA-N	417.515	5.819	30	20	HKED	
Cc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1Br	611132027	QVCQEXJECFMWCQ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COc1cccc(/C=C(/CC(=O)N[C@H](C#N)CC(C)C)c2nc3ccccc3s2)c1	611250556	GULPUVJEFDPVEF-OVCORXIESA-N	419.550	5.290	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	615000037	XESSTWJUMOFEOF-UHFFFAOYSA-N	402.519	5.147	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1CCc2cc(C#N)ccc21	618784354	ARUWLSMWYQEEKZ-QGZVFWFLSA-N	412.276	5.246	30	20	HKED	
Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cccc1C(F)(F)F	675533408	NHIYAULZGKBVGG-NXEZZACHSA-N	408.264	5.218	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1	726957251	AIDYCSVLSGUCPX-BENRWUELSA-N	423.925	5.798	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OCc3ccccc3C)cc2)ccc1OCC#N	727781873	ZGJNYYRDZZZAEL-QPEQYQDCSA-N	413.473	5.381	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1	728667762	ALKLZPHYFZVZIJ-SFHVURJKSA-N	414.461	5.151	30	20	HKED	
Cc1ncccc1/C=C1\CCc2nc(-c3ccc(Br)cc3)sc2C1=O	728786934	ATFXGZXRLHIFKA-RVDMUPIBSA-N	411.324	5.489	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1OC	729428287	BRCGWUDVVDUNDM-MRXNPFEDSA-N	412.898	5.080	30	20	HKED	
C#Cc1cccc(N(C)C(=O)CCCCCCCC(=O)N(C)c2cccc(C#C)c2)c1	729831273	ZESFKEYUSZBYOY-UHFFFAOYSA-N	414.549	5.006	30	20	HKED	
N#CCOc1cccc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)c1	730151595	NRWHDESFNSVTQA-PDGQHHTCSA-N	419.893	5.703	30	20	HKED	
Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C	730954778	KKINLEHZUBRXQV-UHFFFAOYSA-N	409.502	6.137	30	20	HKED	
Cc1ccc(Cl)c(NC(=S)Nc2ccccc2S[C@@H](C)CC#N)c1Cl	731322061	TZBUYFOFKLJKAR-LBPRGKRZSA-N	410.395	6.505	30	20	HKED	
COC(=O)Nc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	733132330	UJRGVUQHIDBJCI-IBGZPJMESA-N	419.868	5.426	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c1	733771450	RPVUHUQMPZBFSZ-KXBFYZLASA-N	404.432	5.196	30	20	HKED	
C=CC[C@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccncc1	734236406	XBJJUCBUNHPVRA-ZDUSSCGKSA-N	411.741	6.304	30	20	HKED	
C=CC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)c1ccncc1	734743265	WWXULRXPTXCXAU-HXUWFJFHSA-N	414.914	5.123	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1	739155752	UXRPZJVBBXODOJ-MBSDFSHPSA-N	404.554	5.776	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(N4CCCCCC4)c3)cc2)nc1	740800945	JVBISYAJLREGMI-UHFFFAOYSA-N	412.493	5.378	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	743092880	GABYXHRXHAFMKL-FTJBHMTQSA-N	409.533	6.410	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C(=O)c1cccc(F)c1	747106218	NUZGOEYBIVVJNB-NHYWBVRUSA-N	400.862	5.174	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(Cl)c(Cl)c1	749135268	IPAIJTLQBJDMNX-UHFFFAOYSA-N	418.093	5.118	30	20	HKED	
C=C(C)[C@H](CC(=O)O[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)OCC	756567604	WGFKJOKJQOWQPW-FXAWDEMLSA-N	410.436	5.007	30	20	HKED	
C[C@@H](C[C@H](O)c1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	758617231	DKBJVLJPHBOIAJ-KKSFZXQISA-N	419.456	5.123	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)OCc2ccccc2C(C)(C)C#N)c1C(F)F	768147173	UPSBUXLMLSOYOJ-UHFFFAOYSA-N	415.362	5.018	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@@H](c2ccccc2)c2nccs2)cc1OC	770184720	GFRYHSJKLLWXGE-YUAYGMJFSA-N	407.491	5.063	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)N[C@H](C)c3ccc(OCC#N)cc3)s2)cc1	772959389	LKTCWSYVWBPYBS-HZPDHXFCSA-N	407.539	5.441	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(Cl)cc(C)cc32)ccc1OC	772987087	RLQJUVXHYJDNCB-PXNSSMCTSA-N	414.933	5.342	30	20	HKED	
Cc1c([C@@H](C)NCc2cc(C#N)ccc2F)cnn1-c1ccc(Cl)cc1Cl	773030156	LRIILVALAQCORJ-GFCCVEGCSA-N	403.288	5.349	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cn(C)c2ccccc12	774008514	WOGXZROAHVNKPN-BEFAXECRSA-N	410.502	5.153	30	20	HKED	
C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc2c(ccc3ccccc32)o1	777116535	VJYZSAZJLGNJHA-KRWDZBQOSA-N	411.505	5.592	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1	779713406	SLMBBMBLEKYZHQ-ROUUACIJSA-N	401.466	5.209	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)nc1	783299210	AGVVQQOGBCMODF-FQEVSTJZSA-N	401.819	5.505	30	20	HKED	
C[C@H](CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1c[nH]c2ccccc12	786473516	MXJRLPIQTMVXPN-SECBINFHSA-N	417.296	5.376	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1nccc2ccccc12	792090263	CSQSJKWMWYMWAN-RCZVLFRGSA-N	412.489	6.084	30	20	HKED	
COc1cccc(-c2nc(/C=C\C(=O)c3nc(Br)ccc3F)cs2)c1	794968288	AXKQSFSIDNNGDH-ALCCZGGFSA-N	419.275	5.011	30	20	HKED	
N#CC[C@@H](CC(=O)O[C@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1ccccc1	795983847	WDKIPHCKNUQMDZ-LADGPHEKSA-N	423.472	5.457	30	20	HKED	
CC(C)(C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1cc(F)cc(C#N)c1	797088113	LMRIIHMHXBDJSG-DEOSSOPVSA-N	416.496	5.280	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(=Cc2ccccc2F)CC1	800782916	VLFMLISUBQLMMW-UHFFFAOYSA-N	409.896	5.002	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	801142776	KZNQZTRTXCHCMS-LJQANCHMSA-N	408.420	5.032	30	20	HKED	
N#CCc1ccccc1CC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809125182	ILLRVGHYWFRIPO-KRWDZBQOSA-N	401.306	5.161	30	20	HKED	
O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1nc(Cl)ccc1F	809326956	YKMCHFQWZSRCGO-GFCCVEGCSA-N	401.665	5.353	30	20	HKED	
Cc1cc(C(=O)COC(=O)CCCC#N)c(C)n1C(c1ccccc1)c1ccccc1	812617882	DTLPCVDOOWYPCT-UHFFFAOYSA-N	414.505	5.162	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)ccn1	813215539	IATQVOCZAGLQMQ-ZDUSSCGKSA-N	419.255	5.517	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2)ccn1	813278647	MMHRTSSJSVIBDJ-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(F)c(F)c2F)cs1	814945345	WBGAHMIHEYPIEH-UHFFFAOYSA-N	424.835	5.344	30	20	HKED	
C=CCC(F)(F)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	815785015	RRFPAZWZGVOCCW-LLVKDONJSA-N	415.303	5.270	30	20	HKED	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN[C@H](CCCC#N)c1ccccc1	816627307	KNDZKZVBGYPWQY-HSZRJFAPSA-N	420.988	6.233	30	20	HKED	
Brc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1	912828023	DJJIKPRMSPCLHY-UHFFFAOYSA-N	418.298	5.143	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1	915087783	XNQBTRVPSNWQTG-SANMLTNESA-N	418.496	6.027	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4ccsc4)no3)n2)cc1	915100601	WLDHNCXCLNXJQF-MRXNPFEDSA-N	420.519	5.039	30	20	HKED	
COc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F	915656255	KBFUORBOWMRUQB-LJQANCHMSA-N	408.860	5.324	30	20	HKED	
COc1ccc(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)cc1OC	916312197	NSKWIJOZDPCQQO-UHFFFAOYSA-N	404.495	5.212	30	20	HKED	
Cc1oc2c(C)c(OC(=O)C(C)(C)C#N)ccc2c(=O)c1Oc1ccccc1Cl	917059473	CHXLPVPSKOOLBP-UHFFFAOYSA-N	411.841	5.311	30	20	HKED	
CC(=NNc1c(F)c(F)nc(F)c1F)c1ccc(-c2ccccc2[N+](=O)[O-])s1	917571364	ACNCXUMEFGSQCQ-UHFFFAOYSA-N	410.352	5.111	30	20	HKED	
Cc1nc2sccc2c(=O)n1N=Cc1c2ccccc2c(Cl)c2ccccc12	917581595	QPCKNUHDCMMMIW-UHFFFAOYSA-N	403.894	5.608	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(OCc3ccccc3)c2)cc1	919712374	HICOWQYXRFKTEX-VWLOTQADSA-N	419.484	5.568	30	20	HKED	
Cc1cc(CC(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)n1-c1ccc(Cl)cc1	920112858	JRZLUZGKIOKAMV-IBGZPJMESA-N	403.869	5.308	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SC(F)F)cc3)n2)cc1	920141367	NWIQOZZERBYBJB-INIZCTEOSA-N	411.458	5.487	30	20	HKED	
CCCCC1CCC(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	920322349	GSHMKWITONZTJH-MXJXRJBTSA-N	417.553	5.146	30	20	HKED	
Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1	1787390160	WUFQAIVDBUAZDW-UHFFFAOYSA-N	421.541	5.183	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)c(C)c3)CCC2)cc1	1789452864	BXYQVSQXOJGLGT-HSZRJFAPSA-N	417.553	5.215	30	20	HKED	
C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1	1791244558	WOIPLNIUDFLDTC-RZILIURJSA-N	413.521	5.194	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1	1791730804	WYIRZTCMBNNDHI-HKBOAZHASA-N	406.570	5.140	30	20	HKED	
C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1	1822117214	WFVMGFJXTOVFBC-HXUWFJFHSA-N	414.594	5.202	30	20	HKED	
CC[C@H](C)c1ccc(-n2c(SC[C@@H](C#N)CCC#N)nc3ccccc3c2=O)cc1	7204934	AJLJKCDTXOBJRK-ZWKOTPCHSA-N	416.550	5.435	30	20	HKED	
COc1cccc([C@@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	9902871	UTXRAUYDTRWPHE-NRFANRHFSA-N	423.582	5.063	30	20	HKED	
N#Cc1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	9966321	ITUPOLLDFHFRHG-UHFFFAOYSA-N	403.898	5.147	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(C)c2)c1	14872265	XSXNNQYGTVPZGM-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
N#CCc1ccc(NC(=O)c2ccccc2Oc2cccc(Br)c2)cc1	59369604	IVIBCNRWJZDBKU-UHFFFAOYSA-N	407.267	5.560	30	20	HKED	
CC[C@@H](C)n1c(SC[C@@H](C#N)CCC#N)nc2sc3c(c2c1=O)CCCCC3	61716096	QGXZBOPREJAVIV-HUUCEWRRSA-N	414.600	5.234	30	20	HKED	
C=CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)nc2-c2cccs2)SC1=S	209992693	VGLJAWHWWZQMOP-PDGQHHTCSA-N	423.588	5.047	30	20	HKED	
CC(C)(C#N)CCCCSc1nnc(CN2CCCCC2)n1Cc1ccccc1	436133392	MYSDZIWQFNNQOO-UHFFFAOYSA-N	411.619	5.124	30	20	HKED	
Cn1c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc2cc(C(F)(F)F)ccc21	436334670	URUVYGPQILMVIS-AZUAARDMSA-N	411.427	5.109	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2csc(-c3ccccc3)n2)cc1C(F)(F)F	438637417	ANPHNYCACFPLAW-UHFFFAOYSA-N	402.401	5.022	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	439089431	UREZMKQYASYTHL-INIZCTEOSA-N	420.683	5.605	30	20	HKED	
N#Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)o2)c(OC(F)F)c1	439531657	RBYBPTLCDSBXQQ-UHFFFAOYSA-N	423.828	5.067	30	20	HKED	
C[C@@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1cc(Cl)ccc1F	439546653	WSDDUNMEJFHLPX-SNVBAGLBSA-N	414.836	5.213	30	20	HKED	
N#Cc1ccccc1Oc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1F	439670835	IMTMTBURBLXCGH-QHCPKHFHSA-N	419.431	5.061	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)N[C@H](CCC#N)c1ccccc1	439677422	YQWHQZBVKSKNLG-QGZVFWFLSA-N	403.345	5.011	30	20	HKED	
CCSc1cccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	440367667	PLAKNVAXRSTXKQ-UHFFFAOYSA-N	417.490	5.040	30	20	HKED	
COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)NCC2CCC(C#N)CC2)c1	440996925	HZXPSNRYWQVVEG-AXRIBZOQSA-N	417.553	5.265	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)nc(C)n1	442646009	KGFCZRULDQOFNN-INIZCTEOSA-N	412.276	5.683	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Sc3ccncc3)cc2)c2ccccc21	444333670	AXIVAGHHXZYMRB-UHFFFAOYSA-N	412.518	5.744	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCCOCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	447203200	KMWRBFAWAXQLKF-JOCHJYFZSA-N	418.562	5.813	30	20	HKED	
Cc1cc(CS[C@@H](C)c2nc(O)c3c(-c4ccco4)csc3n2)ccc1C#N	447416036	DKYBEXGMRSDYGB-ZDUSSCGKSA-N	407.520	5.831	30	20	HKED	
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F	463579538	UTGVFTCPEJTPOO-UHFFFAOYSA-N	413.264	5.653	30	20	HKED	
Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	463713910	UFGXCSWVKZRPLI-HNNXBMFYSA-N	422.579	5.384	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1	463995896	NAUYEPSQHHNFAI-INIZCTEOSA-N	421.522	5.177	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1	466412771	WQTSYPWBOIUXDO-KRWDZBQOSA-N	403.482	5.130	30	20	HKED	
CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1OCC	469198726	ZIUSXROUCAPJPE-GOSISDBHSA-N	421.541	5.240	30	20	HKED	
CC(C)Oc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccn1	470475094	FXXOUDTVKVAQNC-UHFFFAOYSA-N	409.433	5.146	30	20	HKED	
CCOCCC1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CCCC1	471829834	ALVSWCLRLQKLKR-UHFFFAOYSA-N	408.567	5.426	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1-c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	473486155	FOOSJLDDMSOUIU-INIZCTEOSA-N	423.856	5.748	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2c(F)cccc2F)CC1	473674759	IYWGSYSYXYGUIR-HNNXBMFYSA-N	413.493	5.680	30	20	HKED	
C=CCCCCNC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	473675539	LPDGZSKEDQUWHS-UHFFFAOYSA-N	419.884	5.218	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCOc1ncccc1C(F)(F)F	475547804	IOLFIELVADPTRK-UHFFFAOYSA-N	407.436	5.153	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	475567322	LCCJGMIQVSDAGZ-GOSISDBHSA-N	421.516	6.230	30	20	HKED	
C=C(C)[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(F)c(F)c1	475662971	SKHJPODGBVKFGF-QFIPXVFZSA-N	418.390	5.264	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1F	478713695	VAPCEUCTNAWQFW-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](c2ccco2)C1	479969784	WBUNRUUWRZEXIO-DNVCBOLYSA-N	406.511	5.204	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	484057576	QRYHGPMGPONBSU-UHFFFAOYSA-N	419.506	5.731	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(Oc4ccncc4)c3)s2)cc1	492515758	PLDFMUFONXXMPK-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
CC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	496094986	WCTYIYJOZKBPNY-CYBMUJFWSA-N	421.330	5.871	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1C#N	497880252	MJNRDDWUPZAGAD-UHFFFAOYSA-N	424.551	5.054	30	20	HKED	
CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	498093708	FHOOQIAHZCNXGO-MRXNPFEDSA-N	400.466	5.387	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(Cl)ccc2Br)cc1	498477862	PZMPYYMCABFCMU-KRWDZBQOSA-N	405.723	5.395	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1	499256533	QBKCWNLCYSWBCW-QGZVFWFLSA-N	409.445	5.305	30	20	HKED	
CCN(C(=O)COc1ccccc1OCc1ccccc1)[C@H](C)c1ccc(C#N)cc1	503177483	JTXBHEOVLFCQPO-HXUWFJFHSA-N	414.505	5.126	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)CCOC2)c1nc(-c2ccc(Cl)cc2)cs1	503550248	KBKSPPOPTWOCHT-CQSZACIVSA-N	400.912	5.088	30	20	HKED	
CCc1c(C(F)(F)F)noc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	505952741	JKPTYZFAWCUSDI-UHFFFAOYSA-N	419.334	5.311	30	20	HKED	
COc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	508271494	DFRYCTDWNWJVGB-INIZCTEOSA-N	417.465	5.250	30	20	HKED	
CCN(C(=O)c1cccc(C#N)c1C)[C@H](c1cccnc1)c1csc2ccccc12	509475586	MKHJCKMUHPQSHC-XMMPIXPASA-N	411.530	5.728	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1	511023565	ALIBQWMSYATCMV-DEOSSOPVSA-N	417.553	5.650	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	512407263	UYNCFSHRABHCKU-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)ccc1OCc1ccncc1	512642133	MOBBXTULVVMQPI-IRXDYDNUSA-N	405.473	5.092	30	20	HKED	
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	513200339	IDCNKFHOFOFHIU-ZWKOTPCHSA-N	415.493	5.037	30	20	HKED	
CC1=NN(c2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)CC1	513301659	NAMAVYUIRJXYGP-MRXNPFEDSA-N	422.460	5.164	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n1	513654600	MLYOWUTYFOQVDR-KRWDZBQOSA-N	404.388	5.767	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1Cl	514465711	BQDIPOWSVARNMZ-JTDSTZFVSA-N	420.862	6.303	30	20	HKED	
CC(C)(C#N)C(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12	515609048	UVQAUHDBQSFGES-QFIPXVFZSA-N	407.517	5.633	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(OC(F)F)cc1	517527088	VNMWUSJKEZHXPT-QGZVFWFLSA-N	408.448	5.589	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@@H](C)C2CC2)cc1	520941707	XSUHOXYRAAOFLX-ROUUACIJSA-N	423.582	5.922	30	20	HKED	
C=CCOc1ccc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1OC	521048423	ZDZOBJHRMBDAJR-UHFFFAOYSA-N	401.422	5.164	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	521185947	JBOYLFJLQVGKRV-UHFFFAOYSA-N	411.505	5.396	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1ccc(C#N)c(O)c1	527495682	BIWYYLMJKJCMEC-UHFFFAOYSA-N	403.438	5.240	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)c1ccccc1	533947270	RLWPFNKCHZDIHL-SFHVURJKSA-N	404.535	5.319	30	20	HKED	
CCC(CC)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C	535299875	UMALXSHJRDZWFP-UHFFFAOYSA-N	402.498	5.256	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N[C@H](CCC#N)c1ccccc1	536007897	OWTOTRYQPNSABX-GOSISDBHSA-N	412.415	5.179	30	20	HKED	
N#CC1(c2ccc(C(=O)N(Cc3ccco3)C34CC5CC(CC(C5)C3)C4)cc2)CC1	538500566	NAXILAKCBSRQBC-UHFFFAOYSA-N	400.522	5.446	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](C#N)CCc3ccccc3)s2)cc1	539934543	QQYBTVUOSUINQD-UWJYYQICSA-N	403.551	5.377	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21	540555056	GVAXTZVJDWWKFM-RHSMWYFYSA-N	415.946	5.627	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(C)cs3)c3cnn(C(C)C)c3n2)cc1	540744016	DDLKRHOIDYITQT-GOSISDBHSA-N	415.522	5.243	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	542962628	QZYWBCMIZCQAAI-VBKZILBWSA-N	423.879	5.151	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1	543993694	YTULUEGEZZUCEX-NYHFZMIOSA-N	413.974	5.414	30	20	HKED	
N#Cc1ccc(CCc2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)cc1	545626025	GEOQKBQLCXHLPD-UHFFFAOYSA-N	409.449	5.037	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	553114330	FWKGBSLRBXJVBJ-VQTJNVASSA-N	421.463	5.071	30	20	HKED	
O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	558770729	PIGCOHROVJHEMI-KGLIPLIRSA-N	412.349	5.193	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cccc1OCC(F)(F)F	560046783	FGHQMTTZBCNIFM-UHFFFAOYSA-N	403.404	5.004	30	20	HKED	
C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H]1c1csc(C)n1	564375060	BCIDICCPNWKIHP-OAQYLSRUSA-N	416.554	5.094	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)cs2)cc1	567125459	VRYDOOGPZZSIIJ-UHFFFAOYSA-N	416.550	5.026	30	20	HKED	
Cc1nc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)sc1C(F)(F)F	569476421	NLRKFXLPTSWJLF-SNVBAGLBSA-N	415.334	5.425	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	574335812	WZVSLJGJRJXAHK-UZUQRXQVSA-N	407.539	5.082	30	20	HKED	
CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](c1cccnc1)c1csc2ccccc12	578087708	AUVMBLCWQIMADE-QHCPKHFHSA-N	415.493	5.559	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1	580680568	KJILIFVXEMSEMV-SFHVURJKSA-N	413.403	5.058	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCn4c(cc5ccccc54)C3)cn2)c1	588235910	UBPHNWOYGJNFGT-UHFFFAOYSA-N	423.476	5.138	30	20	HKED	
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	603808288	ZGBFIJJMWSUZQY-OAHLLOKOSA-N	407.857	5.113	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)COc2cc(C(F)(F)F)ccc2Cl)c1C	603905330	DFWWMXPWOKKIOC-UHFFFAOYSA-N	410.823	5.301	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccn(-c2cccc(F)c2)n1	604430657	OCXRBOMRFFVXRO-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1Cl	609163904	CAFRPBJKAMOIPW-QGZVFWFLSA-N	402.841	5.231	30	20	HKED	
CCCCN(Cc1ccccc1F)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609499096	OVZOWNGNXARDNM-UHFFFAOYSA-N	403.457	5.327	30	20	HKED	
Cc1ccnc(-c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)n1	609646808	RPOCGKITRIJBGU-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(Cl)c1Cl	609795953	JMVNOVWYVGOOOR-CYBMUJFWSA-N	415.276	5.528	30	20	HKED	
C[C@@H](Nc1cc(C#N)c2ccccc2n1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	609892867	VDZYCDJXVUSPCP-MRXNPFEDSA-N	410.452	5.671	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4F)o3)n2)cc1	613315392	QACVXGKPKWECPD-KRWDZBQOSA-N	402.450	6.008	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@@H]4C[C@H]4C)c3)n2)cc1	642281228	PXXILVJOMGHLNH-CDHQVMDDSA-N	415.518	5.203	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CSCc2ccc(Br)cc2F)cc1	726940057	FNKNUUMNXNHNQR-UHFFFAOYSA-N	421.335	5.077	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cc1	727735871	GPQYIQQIETYHKZ-UHFFFAOYSA-N	414.465	5.475	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1cccc2ccccc12	728766998	ROLQFUAFOZTEAU-OALUTQOASA-N	410.395	5.223	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1	731349197	IVIIDFHPSJXIPN-MRXNPFEDSA-N	417.575	5.057	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1	732094477	PSDMOQNMVQWFMI-UHFFFAOYSA-N	419.575	5.446	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	732644537	VXGLAMOXZNKKDF-XMMPIXPASA-N	403.522	5.349	30	20	HKED	
CCN(C(=O)/C=C/c1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1ccccn1	733109699	OJCVQQWUKJTQAY-AIIPKAINSA-N	401.897	5.258	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CSCc2ccc(Cl)cc2Cl)c1	733772838	HTEIQQZNWMZVQI-QGZVFWFLSA-N	423.365	5.224	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2)cs1)C1CC1	734305869	GYBBCKIWGFMLLE-NTEUORMPSA-N	418.518	5.134	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccco2)n1-c1ccccc1	735230696	GSDFBSRZGCGGIZ-UHFFFAOYSA-N	422.897	5.375	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)CC(F)(F)F)cc1Cl	741869052	YZBQPNHXUYUBMV-UHFFFAOYSA-N	401.816	5.112	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(F)cc3OC(F)F)c(Cl)nc21	748440115	HJKLPEYCPBZPQH-UTCJRWHESA-N	409.795	5.302	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(OCC)cc1	749102392	MKDUYXJJLIEDFB-UHFFFAOYSA-N	423.351	5.372	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	752214564	VGDRYEJSPDMNNX-FOIQADDNSA-N	407.495	5.046	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1C#N	752304651	IJPHDAAUEVDHQA-UHFFFAOYSA-N	421.284	5.097	30	20	HKED	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1ccnc(O)c1	752880566	XLXLXWULRPHICO-KTKRTIGZSA-N	401.853	5.189	30	20	HKED	
C=CCN(C(=O)c1cccc(F)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	753636439	XPXQMSJLKIFNBF-UHFFFAOYSA-N	408.285	5.484	30	20	HKED	
COc1ccc(Oc2ccc(CCNC(=O)c3ccccc3SCC#N)cc2)cc1	754875413	PDNHPJHRPNQZOM-UHFFFAOYSA-N	418.518	5.076	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	757876750	YMXFEUWJJIQGRR-QGZVFWFLSA-N	410.260	5.017	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	760790036	SFAFSSHPQIIYHE-UHFFFAOYSA-N	406.257	5.018	30	20	HKED	
CCS[C@@H](C)c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1	764614944	ICVGADIWECCZBO-AWEZNQCLSA-N	412.490	5.086	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	765331191	PGKGZJFTJWEPRZ-RTBURBONSA-N	400.950	5.066	30	20	HKED	
O=C(Nc1cccc(F)n1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	767182039	XTRARTOGBYUHSF-KWEADSPHSA-N	424.360	5.282	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	768137620	PMSWYMMNWSFVOI-HNNXBMFYSA-N	404.228	5.091	30	20	HKED	
COc1ccccc1[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl	776164661	VSJOCECULKVMGO-OSPHWJPCSA-N	406.913	5.691	30	20	HKED	
Cc1ccc(S[C@@H](C(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2)c(C)c1	780175256	DJYIMQKNADUFRZ-YADARESESA-N	416.546	6.066	30	20	HKED	
N#CC1(COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CCOCC1	780546713	BLCKJXPRIVKLDW-UHFFFAOYSA-N	401.915	5.109	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1ccc(C#N)cc1	784630995	KOJWWQNFOQGSAX-QGZVFWFLSA-N	400.434	5.225	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](Cc1ccccc1)C(=O)N(CC)CC	789460369	SVVUVUWMRZOSRU-HSZRJFAPSA-N	421.585	5.140	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@H](C#N)c1nccc2ccccc12)c1ccccc1	792095161	UGOOZWPAJRUIAB-YVJFHRMNSA-N	404.469	5.660	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1sc2cc(Br)ccc2c1Cl	798038191	UKLKDDJUEBAVKB-MEBBXXQBSA-N	414.752	5.028	30	20	HKED	
CC(C)(CCC#N)COC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1	798878253	MYLQSMNKWBZXGD-UHFFFAOYSA-N	421.537	5.187	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	799215412	NBFVVNXJEJGNDM-CYFREDJKSA-N	422.598	5.115	30	20	HKED	
CN1CCC[C@H](CNc2nc(Cl)c(C#N)s2)[C@H]1c1ccc(C(F)(F)F)cc1	804463793	JBUITXYHGWKTTE-IUODEOHRSA-N	414.884	5.182	30	20	HKED	
CCCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(OCC#N)cc1	916152275	VGRMQZUHGHUUPC-WEVVVXLNSA-N	400.272	5.036	30	20	HKED	
Cn1c([C@H](C#N)C(=O)C2(c3cccc(Br)c3)CCCC2)nc2ccccc21	916844855	GYDIHWKAVUYSHP-QGZVFWFLSA-N	422.326	5.024	30	20	HKED	
Cc1ccc(N2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1	918035905	NODZHQMYMDJOQF-AREMUKBSSA-N	424.548	5.395	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Cc3c(Cl)cccc3C2=O)cs1	921263863	KAZGOYLXSREMFI-GDNBJRDFSA-N	408.910	5.612	30	20	HKED	
CCCCC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)ON=C(C)C)cc2)CCC1	1790570103	SYLRKGHIIWAWRS-OALUTQOASA-N	415.578	5.138	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(C)cc2s1	1801084394	XKSPCVPTACUSMU-PLACYPQZSA-N	422.594	5.230	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3CCCCC3(F)F)C2)CC1	1806201179	HGMOJJRMVGRDSS-LJQANCHMSA-N	424.576	5.036	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C)c2)n[nH]1	1820533792	LMFQMSWBJNPQQA-HXUWFJFHSA-N	408.546	5.016	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]2C)CC1	1829066591	KVYHAFMYKQVXOC-KSEOMHKRSA-N	402.623	5.035	30	20	HKED	
O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1ccccc1)c1ccc2c(c1)CCC2	10827236	HRWJVUDRNBSCEJ-UHFFFAOYSA-O	407.946	5.167	30	20	HKED	
CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2C)cc1	11167776	VEIIXQMFBMNQKB-UHFFFAOYSA-O	417.598	5.903	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccncc3)c2)cc1	47570385	JNFCPXHJIFYZSQ-DEOSSOPVSA-N	412.493	5.096	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1)c1nc(-c2ccc(Cl)cc2)cs1	60767565	UVLDHLQQQFQAOA-MRXNPFEDSA-N	422.872	5.278	30	20	HKED	
CCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OCC	71951662	IHNPDQJJXNWTOR-AWEZNQCLSA-N	400.887	5.237	30	20	HKED	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cccc(OCC#N)c5)(C4)C2)C3)cc1	107966450	BKNGUUPBIPOGOH-WSQGFLFRSA-N	400.522	5.374	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)n1	301945251	LBPMNUDMYLDHDT-AWEZNQCLSA-N	421.488	5.832	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C	303251674	NHLTWLBVNHOPHM-UHFFFAOYSA-N	415.534	5.240	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)cc1	426123545	OANJIVUBHURYRK-UHFFFAOYSA-N	423.944	5.537	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2)cc1	430359805	SHJXINQEXDFBNF-QFIPXVFZSA-N	417.896	5.020	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)s1	430614621	ZJZPBJHRBZMZGE-MRXNPFEDSA-N	406.555	5.549	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	434159522	LLIROLDSLKJXTC-WMZOPIPTSA-N	419.554	5.697	30	20	HKED	
CCO[C@H](C)c1nc(CN(C)C(=O)Nc2cccc(C#Cc3ccccc3)c2)cs1	437680213	KRNZOTQIQSEOBU-GOSISDBHSA-N	419.550	5.304	30	20	HKED	
Cc1ccsc1CCCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	439120563	VBYVVIJZMHVWNH-UHFFFAOYSA-N	404.535	5.663	30	20	HKED	
CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	444368691	YCJFIPUZZCLDFQ-GBXCKJPGSA-N	419.500	5.076	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)o2)cc1	460462497	PAAGHVQTHFHOIY-UHFFFAOYSA-N	417.553	5.294	30	20	HKED	
CC[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1cccs1	461487778	GGCNWPGYQXJCTG-QGZVFWFLSA-N	403.555	5.067	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(C(F)F)cc1	462240621	JPIUAOPFFMWGCA-UHFFFAOYSA-N	421.447	5.705	30	20	HKED	
Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	464405764	OTIZXWQANDNFNB-UHFFFAOYSA-N	416.428	5.023	30	20	HKED	
N#C[C@H]1N(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CCC[C@]12CCCCO2	468646740	YMDVVHIMKMJJOB-TZIWHRDSSA-N	418.415	5.033	30	20	HKED	
CN(CCc1ccc(Br)cc1)C(=O)c1cn(CCCC#N)c2ccccc12	469034594	QAIZGKLZUVXAQQ-UHFFFAOYSA-N	424.342	5.022	30	20	HKED	
COc1cc(F)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	470339855	DROKPKMBIWIAGS-SFHVURJKSA-N	424.859	5.404	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H](c3ccccc3)c3cccc4ccccc34)o2)cc1	471648904	MYEDCJUGXSHJGI-SANMLTNESA-N	416.484	5.641	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)s2)cc1	474426956	NFWDCXIHPFRWQB-INIZCTEOSA-N	411.552	5.587	30	20	HKED	
O=C(Nc1ccccc1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	477130114	VKBLKBRLTRCZAC-NVAPZFPCSA-N	423.372	5.887	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(Oc2cccc(Br)c2)nc1	477774698	CBPCEAUAYXZLFS-UHFFFAOYSA-N	416.319	5.038	30	20	HKED	
C=C(C)[C@@H](NCc1ccc(OCc2ccncc2)c(OC)c1)c1ccc(F)c(F)c1	479420943	NAFMLHCLBOPUPI-XMMPIXPASA-N	410.464	5.354	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2CC)nnc1-c1ccccc1C	481335302	CYMQWQTXPKEZFI-KRWDZBQOSA-N	406.555	5.121	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(C)(C)C(=O)OCC)CC1	482239906	LWVFMIITXYNHCU-UHFFFAOYSA-N	400.563	5.372	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1ccoc1C	483240722	BZWNHXVKZBLXMR-UHFFFAOYSA-N	414.437	5.258	30	20	HKED	
N#C[C@@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nccc2ccccc12	483241294	VIIAYDCMFMRMMG-LJQANCHMSA-N	421.481	6.108	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1	486237695	XRTGJWRDUKFQAQ-UHFFFAOYSA-N	415.518	5.444	30	20	HKED	
CCc1ccc(-c2nc(CC(=O)N[C@H](CCCC#N)c3ccccc3)cs2)cc1	487289078	UJXZNFXRURIAIA-JOCHJYFZSA-N	403.551	5.466	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1SC[C@H](C)C#N)c1cccc2ccccc12	487396740	SDBJQVXXFKCOCB-MSOLQXFVSA-N	403.551	5.381	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc3ccccc23)cc1	490628935	HSYRDTPBWYADBZ-UHFFFAOYSA-N	412.514	5.728	30	20	HKED	
CC(C)Cn1ncc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1C(F)F	493937118	NRFWMGRXPJKGRD-UHFFFAOYSA-N	410.424	5.393	30	20	HKED	
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2ccc(C#N)cn2)cc1	498164315	FHGHLEUPULZENV-UHFFFAOYSA-N	409.898	5.438	30	20	HKED	
Cc1nn(-c2ccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cc2)c(C)c1Cl	499329266	QDSARAJVMMEBJF-UHFFFAOYSA-N	406.917	5.317	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)cc2)nc1	504177122	SQOQQAAOZZDDMR-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cc(Cl)ccc1Cl	504816631	BZYAAKLBDDDXCT-CYBMUJFWSA-N	420.315	5.098	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	505450188	ZEIDUBOTTLTIBR-OAHLLOKOSA-N	418.305	5.371	30	20	HKED	
N#CCCN(Cc1cccnc1)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	505853450	NDLLKKOCFXTUGI-UHFFFAOYSA-N	402.445	5.140	30	20	HKED	
Cc1c(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)sc2ccc(C#N)cc12	508294727	FJORQUJNHWLAPK-UHFFFAOYSA-N	408.433	5.012	30	20	HKED	
Cc1cc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)s1	511308731	VLUNMRFLGMIULN-KRWDZBQOSA-N	419.550	5.893	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cccc(Br)c1	512139941	OCLYKJIKVCNLKD-UHFFFAOYSA-N	421.294	5.603	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C(C)C	512253083	LAOAQFGQKBJIKV-UHFFFAOYSA-N	401.466	5.565	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl	512506623	OCBWYSHLFHJKOD-HNNXBMFYSA-N	409.361	5.176	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	512888320	HYUNRFUMVCNXBI-ZDUSSCGKSA-N	414.252	5.130	30	20	HKED	
N#Cc1cccc(CSc2nnc(SCc3cccc(C#N)c3F)s2)c1F	513242637	VTFFZGLTJBBIND-UHFFFAOYSA-N	416.503	5.144	30	20	HKED	
N#CC[C@@H](Cc1nc(C2(c3ccccc3Br)CC2)no1)c1ccccc1	514819057	UJLDVVHPMWTVDT-INIZCTEOSA-N	408.299	5.152	30	20	HKED	
CC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1	515543630	UDUBOSYOUPFNAG-LBMSDSGBSA-N	410.564	5.365	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)cc1	517346948	XMUFERBUBOYOQR-JOCHJYFZSA-N	420.509	5.214	30	20	HKED	
CC(C)n1ncc2cc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cnc21	517355982	XFFOFRXWBGFBAR-UHFFFAOYSA-N	415.428	5.068	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Br)cs1	517533018	OQBASEDTZLHBIC-LLVKDONJSA-N	410.362	5.227	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(OC(F)F)c3)cc2)c1	517533210	VVBBCGGYPKAOIB-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
Cc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N2CCCC2)cc1	518260083	UWDQTNGXXUSCMV-KNQAVFIVSA-N	422.598	5.348	30	20	HKED	
C[C@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc(C#N)cc1	518277378	HXLSPIXSGBEQMA-SJCJKPOMSA-N	402.338	5.281	30	20	HKED	
C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H](C)c1c(F)cccc1F	519795758	YBQILRRDVHECAQ-TVTNDZMWSA-N	424.495	5.185	30	20	HKED	
COc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	520558017	YWODZJAROSXXPT-UHFFFAOYSA-N	423.266	5.374	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1SCCC#N	520807572	IQYZVLNXYSHDQK-UHFFFAOYSA-N	411.527	5.440	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc12	520832846	VEJBGRDLTRMJPB-GUDVDZBRSA-N	417.578	5.769	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C	521246315	YWDXVTGPSBJCJF-KRWDZBQOSA-N	408.498	5.217	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCOc1ccc(Cl)cc1	521810942	LEQFWZMKDBJESS-INIZCTEOSA-N	417.962	5.667	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2)cc1	521885969	CPORSTXSCVNEIH-OAQYLSRUSA-N	421.378	5.364	30	20	HKED	
Cc1nc2ccccc2n1Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1Cl	521963957	MFMXGGMPJGVGSE-UHFFFAOYSA-N	400.869	5.170	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2C#N)C1	522636453	WAIATTKRQZCYGH-LLVKDONJSA-N	424.507	5.029	30	20	HKED	
N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)n1	522727338	GKWZQPAMTZPHEW-WUKNDPDISA-N	423.476	5.067	30	20	HKED	
Cc1ccc2c(c1)CC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	523188801	FRIOVBXHVLBCIO-RUZDIDTESA-N	413.496	5.405	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c2cnn(C(C)C)c2n1	523966507	XPWOFDWCQXAVRP-GKVSMKOHSA-N	415.541	5.190	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	524105393	AVGBTMIJZFZZRA-ROUUACIJSA-N	411.288	5.795	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cccc(-c4c(F)cccc4F)c3)CC2)cc1	525945216	MZLBJUDPGGKRPK-UHFFFAOYSA-N	418.443	5.187	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)cc1	526939252	XHZRGYSQFNAOQH-OALUTQOASA-N	415.320	5.039	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OC(F)F)c(OC)c1	530394482	SERLMGJXKZPMOI-UHFFFAOYSA-N	404.457	5.470	30	20	HKED	
CC[C@@H](C)Oc1cc(C)ccc1CNCc1cn(CCC#N)nc1-c1ccccc1	531535914	JLHNRFVAOLLKNG-HXUWFJFHSA-N	402.542	5.239	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CN[C@@H](CCC#N)c2ccccc2)cs1	532669648	HQUBASAWZWLANM-NRFANRHFSA-N	408.502	5.101	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(C#N)cc1Cl	532856442	HFOYONUXTGOAPJ-ZDUSSCGKSA-N	401.944	5.194	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-c2ccoc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3	534104361	WNXLRHKUWJXOKX-KRWDZBQOSA-N	415.474	5.026	30	20	HKED	
Cn1cc(-c2ccccc2CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cn1	534775268	FVVUAKUCLYRADQ-UHFFFAOYSA-N	423.476	5.073	30	20	HKED	
Cc1cc(-c2nnc(CN(Cc3cccc(C#N)c3)c3ccc(F)cc3C)o2)c(C)o1	534840985	LHHPSDRVIGAUCI-UHFFFAOYSA-N	416.456	5.472	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1	538507412	CZISHHRAHMGLOX-IRXDYDNUSA-N	419.475	5.429	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)NCc2cc(C#N)ccc2F)cc1OC	539279662	RQCYVSRABGMKFG-QHCPKHFHSA-N	404.485	5.097	30	20	HKED	
CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1c(C)noc1C	541120159	OCFMYJVRTYJPIA-IVZQSRNASA-N	402.498	5.342	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCCCC[C@H]1/C=C\c1cccs1	542132052	HGDBHKKTKQLXDS-JYBLJSLWSA-N	411.596	5.260	30	20	HKED	
N#CCN(C(=O)c1ccc(-c2ccc(Br)s2)s1)c1ccccc1	542935593	DKIBEQXLMSXXIL-UHFFFAOYSA-N	403.326	5.409	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(C2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	543058721	LQZGGZAHFRTZDM-HNNXBMFYSA-N	414.317	5.879	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)NCC(=O)Nc1ccccc1S[C@H](C)CC#N	543478104	MDPFQAYLHZJCEN-UTKZUKDTSA-N	413.562	5.015	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543875298	SBTCIWWWNGLVEA-RTBURBONSA-N	413.521	5.220	30	20	HKED	
C[C@H](Nc1nn2cc(-c3cccnc3)nc2s1)c1ccc(-c2cccc(C#N)c2)cc1	543897016	LBPPFNMOLWXCOD-INIZCTEOSA-N	422.517	5.565	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	543944093	ZXBNVDICJDSCMO-KBMIEXCESA-N	410.521	5.536	30	20	HKED	
N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)n2)c1	544369713	OROQFBOBCLVPEQ-UHFFFAOYSA-N	418.378	5.081	30	20	HKED	
N#Cc1ccc(C(=O)CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1	552320215	DEJGOJZZIITPKL-UHFFFAOYSA-N	423.708	5.346	30	20	HKED	
C[C@@H](NCc1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)c(F)c1	554586960	YPAPIODCCVNWKM-SNVBAGLBSA-N	401.201	5.329	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	558279629	WWUHINVTZTTYIS-KRWDZBQOSA-N	421.419	5.123	30	20	HKED	
COCc1ncsc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	560231006	MUZARJOLCFXUQN-NSHDSACASA-N	424.334	5.210	30	20	HKED	
N#Cc1cc(Br)ccc1CN[C@@H](c1cccc(Cl)c1)c1ccccn1	561866082	ZZAFKIWMTOATGR-FQEVSTJZSA-N	412.718	5.248	30	20	HKED	
N#C[C@H](NC(=O)c1cscc1-c1ccccc1)c1ccc(OC(F)(F)F)cc1	564697342	FIKNQGVKRIOLAQ-SFHVURJKSA-N	402.397	5.308	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)n1ccc2ccccc2c1=O	567072373	XJGUIFCGVKEQHU-SFHVURJKSA-N	423.472	5.174	30	20	HKED	
CSc1cccc(N(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1	572788792	LINAGTLFLHGRCN-UHFFFAOYSA-N	413.974	5.203	30	20	HKED	
COc1ccc2ccccc2c1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	574369713	JCQMQUDJSZTVLD-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
N#CCCC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1	577638566	UHORYDJCNRECOS-SANMLTNESA-N	424.523	6.203	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H]1CCOC(C)(C)C1	578471531	YXQIWBVQJWSPCR-IBGZPJMESA-N	423.513	5.171	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	581964710	YJYRBDCPJQUWPZ-UHFFFAOYSA-N	406.917	5.252	30	20	HKED	
N#Cc1ccc(SCc2nc(C(F)(F)c3ccc(Cl)c(Cl)c3)no2)cc1	582818151	CIWYRQKCBAAJOY-UHFFFAOYSA-N	412.248	5.680	30	20	HKED	
C=CCCOCC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1	586809057	UEDPUWTXLFYFIA-UHFFFAOYSA-N	410.461	5.161	30	20	HKED	
CCc1c(Br)cc(C(=O)Nc2ccccc2CC#N)cc1Br	588988091	MMWFTIUXOBHKKB-UHFFFAOYSA-N	422.120	5.092	30	20	HKED	
Cc1csc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1C#N	589034690	NMWQVIULCOHYJY-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(=O)c1ccccc1	602101502	RHOLELULNRJYJN-LJQANCHMSA-N	414.480	5.135	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Oc1ccc(F)c(F)c1	609060689	KKZOSSQUGVCICV-INIZCTEOSA-N	422.431	5.130	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccc4ncccc34)cc2Cl)c1	609062542	AICXQOCUYFGQQX-UHFFFAOYSA-N	413.864	5.591	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1	609369616	GOBVAFLYWKOSME-ZDUSSCGKSA-N	410.486	5.688	30	20	HKED	
CC[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCc1ccccc1	609387321	XJGSLCISYPJZEA-QGZVFWFLSA-N	421.488	5.218	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(C(F)(F)F)c1	609434654	GRBIAGZNJMQUIK-CQSZACIVSA-N	407.461	5.764	30	20	HKED	
C[C@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1cccc(C(F)(F)F)c1	609967994	XAUNKQUWDBQMIJ-MRXNPFEDSA-N	412.411	5.897	30	20	HKED	
C[C@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	609989448	DQKWOIGAHMXTCS-PXAZEXFGSA-N	414.349	5.599	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C	610094836	KSTIUENRWHLPFT-MRXNPFEDSA-N	420.538	5.532	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc(C(F)(F)F)cs3)cc2)cc1	610141515	DYHZVNKZKHCCHC-UHFFFAOYSA-N	418.400	5.148	30	20	HKED	
C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(Cl)c1	610224946	NCPCSBQRVDKADV-OAHLLOKOSA-N	403.869	5.206	30	20	HKED	
COC(=O)c1csc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C	611461643	VPMJINRQKSXMIC-UHFFFAOYSA-N	422.531	5.259	30	20	HKED	
CCOc1ccc2c(c1)[C@@H](NCc1cccc(OCc3cccc(C#N)c3)c1)CCO2	614100970	HQVFQBGQLOGMEM-VWLOTQADSA-N	414.505	5.149	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Br)c(Br)c2)cc1Cl	619748981	UYQUUSMNUUKUNJ-UHFFFAOYSA-N	414.528	5.026	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2)cs1	642281898	PFVJTNPYZCLGHU-SFHVURJKSA-N	421.909	5.080	30	20	HKED	
O=C(NC[C@@H]1CCCC(F)(F)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	669664687	GOOVCTXKSLYTPZ-WYUUTHIRSA-N	410.349	5.021	30	20	HKED	
CC1CCN([C@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)c2cccs2)CC1	726440340	IZLXVVCJKMEEQL-GOSISDBHSA-N	419.019	5.033	30	20	HKED	
C[C@@H](NC(=S)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(Cl)cc1Cl	726485216	MIIYZBBFPWUNSN-CYBMUJFWSA-N	404.366	5.465	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(OCc3cccc(C)c3)cc2)cs1	727654093	HLAVGQRYLXAFQR-RAXLEYEMSA-N	420.534	5.299	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cn4cc(Cl)ccc4n3)s2)cc1	727975862	WVSMDHTUQNIZJN-TWGQIWQCSA-N	409.898	5.324	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C\c2cc(C(=O)O)c3ccc(Br)cc3n2)cc1	728698833	PLIDATYACRZGRL-XYRDXQRHSA-N	423.266	5.157	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)sc2c1	729187171	YEIGGNOIEYUEJC-CQSZACIVSA-N	403.290	5.478	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	731400856	VVIWZHMSKIUKAL-VGOFRKELSA-N	409.555	5.058	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(C)n1Cc1ccccc1	731646190	ZFTAEWHPZGKZMF-NRFANRHFSA-N	411.427	5.167	30	20	HKED	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	734081041	DKSPOWRZOSNWFR-BEFAXECRSA-N	405.523	5.146	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2nccn2Cc2ccccc2)CC3)cc1	734096028	VOTPZJLRNMSSSW-HMMYKYKNSA-N	411.530	5.576	30	20	HKED	
CC(C)(CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)NC(=O)OC(C)(C)C	739156936	SCDOBEXUMUBQFK-ZDUSSCGKSA-N	421.950	5.209	30	20	HKED	
N#Cc1ccsc1NC(=O)c1cccc(Sc2cccc(Br)c2)n1	741516849	LYYPSZRQIFTQCX-UHFFFAOYSA-N	416.325	5.181	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCCC2)n1	743093342	RYPMXMHCSOAHQW-OAQYLSRUSA-N	416.550	5.698	30	20	HKED	
COc1ccc([C@H](C)CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	743093378	SYIVNZYXINNBRD-CLOONOSVSA-N	413.521	5.666	30	20	HKED	
COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	743094932	FPBDJYQVWRELKB-CYFREDJKSA-N	413.521	5.446	30	20	HKED	
CC(C)c1ccc(OCc2nnc(S)n2N=Cc2c(O)ccc3ccccc23)cc1	744807208	YPVRNMLITSGZGO-UHFFFAOYSA-N	418.522	5.010	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc2cc(Cl)ccc2s1	748009353	GCRJKHWGBHLHSZ-ZDUSSCGKSA-N	405.306	5.639	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	748756581	ZEFXSSMGXRQAPA-UHFFFAOYSA-N	405.548	5.179	30	20	HKED	
COc1cc(-c2nc(CON=C(c3ccccc3)C(F)(F)F)cs2)ccc1O	751957279	XPBJOQOAWKDDPW-UHFFFAOYSA-N	408.401	5.008	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc1C#N	752624066	SZVMLPDWFSAVHY-UHFFFAOYSA-N	419.441	5.043	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Cc3ccccc3Cl)n2)cc1	754531882	XGQNTUSUJGGAPD-KBXCAEBGSA-N	410.926	5.527	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc(F)ccc2F)cs1	757476766	ZVZVJKBKPFVTTE-UITAMQMPSA-N	402.397	5.141	30	20	HKED	
N#CCn1c(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc2ccccc21	762998309	WPPIVEWQNLLMST-RUZDIDTESA-N	409.489	5.083	30	20	HKED	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1	763007858	BBSVYJMCKXUKIX-DEOSSOPVSA-N	414.505	5.021	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccco2)s1	766254569	LZZVGCMNGNBALF-LLVKDONJSA-N	405.262	5.276	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)n1	766385336	WBSVGEBCIAADEK-RDJZCZTQSA-N	419.591	5.116	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1	770527620	IILMSOFLAPNUSJ-GOEBONIOSA-N	407.366	5.875	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](c3cccc4ccccc34)C2=O)cc1	771908026	WWTQUMUVVVXZMQ-DQEYMECFSA-N	417.468	5.293	30	20	HKED	
C=CCc1cc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC	779093895	LXHJHYQYUFZYAY-XMMPIXPASA-N	418.493	5.220	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1	780671727	ZVJYLQFSYYRSOL-ZDUSSCGKSA-N	404.297	5.481	30	20	HKED	
C[C@H](NCc1ccc(C#N)cn1)c1ccc(Oc2ccc(Br)cc2)cc1	783293436	HOHPREQZGBZFBN-HNNXBMFYSA-N	408.299	5.359	30	20	HKED	
CCCc1c(NC(=O)c2cc3cccc(Cl)c3o2)cnn1-c1cccc(C#N)c1	784710875	AKDXUBOIXILJKQ-UHFFFAOYSA-N	404.857	5.348	30	20	HKED	
COc1cc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccccc2)ccc1SC	788353996	DMOMLNHWXHYYQF-PKNBQFBNSA-N	403.507	5.090	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(CC(F)(F)F)CC2)c1=S	789529469	XQTRVNKVKGKAOJ-UHFFFAOYSA-N	414.472	5.028	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12	790872865	OVPRAGWFCIANMD-CQSZACIVSA-N	408.299	5.038	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl	791880269	IUMUIMICEXYKSY-UHFFFAOYSA-N	414.248	5.335	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nccc3ccncc23)c1	801697558	VXSVBNKHNISSBM-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CC(C)n1ncc2c(C(=O)OCc3cc(C#N)ccc3F)cc(-c3cccs3)nc21	809261180	YYNSOHAIWDUCJK-UHFFFAOYSA-N	420.469	5.108	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)SCc2cc(Cl)ccc2OCC#N)c(Cl)c1	811807534	ZYFPMBREFMUIBR-CYBMUJFWSA-N	409.338	5.465	30	20	HKED	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)c1	814280557	FKFHDUJDZWXKDE-XSFVSMFZSA-N	407.564	5.059	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2cc(Br)c3ccccc3c2)no1	815715214	ZEIPSKKOVKWKGA-UHFFFAOYSA-N	406.239	5.222	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc(Br)o3)n2)cc1	916627358	OMVNQWMMZDBGFW-LYASGUKUSA-N	413.296	5.364	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	916943526	ZIDBSCJQTXAWTG-AWEZNQCLSA-N	402.064	5.261	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3-c3ccccc3)n2)cc1	916971964	HDYBQWIQTNIEDL-JOCHJYFZSA-N	424.525	6.041	30	20	HKED	
C=CCc1ccccc1OC(=O)CCc1ncc(-c2ccccc2Br)o1	920108387	QRFNDJJMWANQRV-UHFFFAOYSA-N	412.283	5.371	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)n1	921250333	IRYJANQLHQJTTM-GOSISDBHSA-N	416.531	5.030	30	20	HKED	
CC(C)CN(C(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1ccc(C#N)cc1	1352725655	PFLMNLRIQFFSQR-UHFFFAOYSA-N	405.885	5.282	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(Cl)c3)cc2)CCC1	1792122713	USRUUERPSVADTF-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sccc2C)n[nH]1	1816348371	QRRWLAGQYPRUPL-QGZVFWFLSA-N	414.575	5.078	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CC(=C)C)CC1	1828827247	TXMSWZSYPKESAH-GOTSBHOMSA-N	414.634	5.367	30	20	HKED	
CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccccc2)cc1	10827161	UUQGZVJDAWBQRK-UHFFFAOYSA-O	409.962	5.802	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1	11160048	WQWCBDZBLBJCQI-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1ccc(C(C)C)cc1	11262823	UBCIEILIKLIDJR-UHFFFAOYSA-O	403.571	5.711	30	20	HKED	
COc1ccccc1-c1nnc(SC[C@H](C#N)CCC#N)n1-c1ccc(Cl)cc1	15241961	HTTIGUMNBPGRQF-HNNXBMFYSA-N	423.929	5.132	30	20	HKED	
C[C@H](CCc1ccco1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	43725473	JPBBGAINLRTSTO-GOSISDBHSA-N	403.482	5.067	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)SCc1cccc2ccccc12	58485758	HUFPRCQRDNFITL-SFHVURJKSA-N	404.535	5.417	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12	60477175	OBSVWQKFKFSXQB-INIZCTEOSA-N	414.515	5.495	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccccc2Cl)n1	62903697	OVSCVJCXHPMDBF-UHFFFAOYSA-N	407.926	5.092	30	20	HKED	
C=CCc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2ccc(Cl)cc2Cl)o1	63533894	HQUQWIHXJCYJOV-UHFFFAOYSA-N	406.225	5.259	30	20	HKED	
C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1cccc(Cl)c1Cl	138027321	DOVBCLPCQAGZSG-LLVKDONJSA-N	406.338	5.258	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccccc3)n2)nc2sc(C)c(C)c2c1=O	196444191	SWWHFGJRYBORGX-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1	214127592	BVNVBWJSLDTXLK-AKGOGDBKSA-N	419.550	5.406	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	237498065	FIDZOKDALHTEAL-AWEZNQCLSA-N	417.456	5.410	30	20	HKED	
CCCCCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccccc21	255926994	APLVDEIJMXLVPP-UHFFFAOYSA-N	424.595	5.573	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1Cl	303294777	BNPWRXGWVHDCKP-OXJNMPFZSA-N	413.974	5.510	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)s1	430594102	FUQBDRLGDHCLBC-GFCCVEGCSA-N	416.396	5.133	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2Cl)C2CCCC2)cc1	437880412	FRJOLLRPMBDKQB-UHFFFAOYSA-N	411.933	5.233	30	20	HKED	
COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	438035952	PKGQWVOBYCDLHU-GOSISDBHSA-N	415.493	5.454	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(OC2CCCC2)c(F)c1	438037559	LDODDQLHHKIAGP-HNNXBMFYSA-N	413.518	6.043	30	20	HKED	
CCOc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C(F)(F)F)c1	438214991	KZXLIABXMPQDNH-YLJYHZDGSA-N	417.431	5.408	30	20	HKED	
C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438649280	MEBVYTCKFRDEPH-GOSISDBHSA-N	424.520	5.266	30	20	HKED	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1	439297695	REONGPVSOTWFNV-QHCPKHFHSA-N	418.541	5.034	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cnccc3-c3cccc(F)c3)o2)cc1	439688788	ACHDOSRIJDZDSN-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
COc1cccc(Cn2ccc3ccc(NC(=O)NCC4CCC(C#N)CC4)cc32)c1	441751481	MATYTTRHCYKQIT-UHFFFAOYSA-N	416.525	5.150	30	20	HKED	
Cc1cncc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1	442902969	RQTVFQFTOHRTPF-CQSZACIVSA-N	416.287	5.821	30	20	HKED	
CC(C)O[C@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1(C)C	463961891	RBKAFADLVWCERF-GOTSBHOMSA-N	421.541	5.045	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(C[S@](C)=O)c2C)cc1	464960390	DHPWREFFBQFVLW-PMERELPUSA-N	418.518	5.098	30	20	HKED	
CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H](Cc1ccc(F)cc1)C(C)C	466609961	KBZBFIVGESCZMY-HXUWFJFHSA-N	412.509	5.024	30	20	HKED	
CN(CCC1CCOCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	467109770	IHSQBGUJJHKGLH-UHFFFAOYSA-N	413.905	5.284	30	20	HKED	
COc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)CCO2	467370209	NRNUCUBSNQGDBO-QFIPXVFZSA-N	415.449	5.004	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)c1	469341995	WTLKNTXGTVPFBK-UHFFFAOYSA-N	409.392	5.087	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccccc3O[C@H]3CCOC3)c2)cc1	470589141	XTSDZABZDDKPGI-NRFANRHFSA-N	415.449	5.162	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)n1	470590157	FIJIKIIITVLXRR-AWEZNQCLSA-N	406.511	5.854	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)n1	470598668	GVUCLQCDTAJLHW-INIZCTEOSA-N	406.511	5.997	30	20	HKED	
CC(C)c1ccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2cccs2)cc1	471621215	MTYKJSMSAJVVOJ-QHCPKHFHSA-N	414.534	5.672	30	20	HKED	
C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)c(Cl)c1	471878359	SERNXZQKXHVAMS-CQSZACIVSA-N	403.309	5.039	30	20	HKED	
C=CCOc1ccc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C)cc1	474164356	MWSSSBHZTYSQQN-UHFFFAOYSA-N	422.485	5.010	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F	475897185	HWEUGQIXSRSQMA-HSZRJFAPSA-N	419.475	5.413	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	476086091	WUHDADLQGKLUSY-UHFFFAOYSA-N	410.517	6.649	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C	476595014	JFZHGOVTZMNNHJ-IBGZPJMESA-N	411.546	5.069	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1csc(-c2ccco2)n1	478859210	SBZDRKIPNRFXFZ-UHFFFAOYSA-N	417.515	5.356	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1	479778826	QMUBQTVJOXAARS-QPPBQGQZSA-N	414.530	5.217	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1	480219659	PWCNMXSDVDMONE-JOCHJYFZSA-N	423.944	5.523	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1ccccc1	483342440	CGSSZOILQYKTRO-CYBMUJFWSA-N	411.221	5.494	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)c2)cc1	483444719	XEPHRSHAKPASLA-WIOPSUGQSA-N	412.489	5.248	30	20	HKED	
N#Cc1cc(NC[C@H]2CCC(F)(F)C2)cc(NC[C@H]2CCC(F)(F)C2)c1[N+](=O)[O-]	485410581	QNSHCGYOLSQUJE-STQMWFEESA-N	414.403	5.161	30	20	HKED	
C=CCSc1ccccc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	485470116	XIHGBHODXZLHHM-ZDUSSCGKSA-N	412.502	5.460	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1	485560997	JVVIYRNTWKSODW-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
C=CCn1c(SC(c2ccc(F)cc2)c2ccc(F)cc2)nnc1-c1cnccn1	488902318	VUMXYOIUXLLCNG-UHFFFAOYSA-N	421.476	5.081	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccncc1	489402800	ZWAXVEBZLINUPN-INIZCTEOSA-N	403.511	5.425	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1nc2c(s1)CCCC2	494057668	VUDWFGJFBNBCJY-CVEARBPZSA-N	417.372	5.107	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	494163151	IBQSBCPVGIAQPX-SAPNQHFASA-N	421.456	5.447	30	20	HKED	
N#Cc1ccc(CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C2CC2)cc1	498321250	CZOCOUFFXYDBOS-UHFFFAOYSA-N	407.926	5.069	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(F)c(C(F)(F)F)c1	498628908	FQVKLGCPEZQCSN-UHFFFAOYSA-N	415.236	5.300	30	20	HKED	
COc1cc(C#N)ccc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1	499316926	APMDJOOTCMYFLW-UHFFFAOYSA-N	422.293	5.128	30	20	HKED	
O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1OCCC(F)(F)F	500238071	OLAVLBYENLWGFN-UHFFFAOYSA-N	409.301	5.357	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl	501031529	YXCPIAUUDPYUNI-IBGZPJMESA-N	402.325	5.474	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	504699727	VSQZIDWLUOPFMR-PBFPGSCMSA-N	409.338	5.203	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1ccc(Cl)c(Cl)c1	505928879	WAOOCACPSUIKHJ-MRXNPFEDSA-N	424.209	5.555	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1Oc1ccncc1	505959215	FBBFANFTJBAEQK-IBGZPJMESA-N	411.383	5.196	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)s2)o1	505987636	SOISQVNISHYISG-AWEZNQCLSA-N	405.401	5.033	30	20	HKED	
Cc1ccnc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc12	507199585	AOQBSQYVXKRQOS-UHFFFAOYSA-N	407.473	5.441	30	20	HKED	
Cc1ccc(OCc2nc(CSCCCC3(C#N)CCOCC3)cs2)cc1	507719174	AAJKRRMASKYIBV-UHFFFAOYSA-N	402.585	5.364	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)n1	508298300	UVMAXPOKDWRYKX-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
N#Cc1ccc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1	509676508	APUGXJGXJGRSLE-HXUWFJFHSA-N	421.909	5.275	30	20	HKED	
Cc1cccc(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	516673037	IKNVPFTTXZTIMC-UHFFFAOYSA-N	400.482	5.117	30	20	HKED	
CC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ncc(-c2ccccc2)[nH]1	517661335	VGFHRERQJURYAD-NRFANRHFSA-N	423.476	5.017	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2cccnc2)c1	518240737	ANFUVMCWCSCYEA-KRWDZBQOSA-N	403.507	5.307	30	20	HKED	
C=CCOc1ccc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1Cl	518759829	SBTYIZZDFGXQQN-UHFFFAOYSA-N	424.903	5.586	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1)C(=O)Nc1cccc(CSc2ccccn2)c1	518818177	DSGUBDPDSQUVQL-MRXNPFEDSA-N	405.548	5.365	30	20	HKED	
C[C@H](Nc1cccc(Oc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2	522146712	VMMLOEZRYXZMMF-HNNXBMFYSA-N	403.507	5.340	30	20	HKED	
Cc1ccc(-c2ncc(CNC3CCC(Oc4ccccc4C#N)CC3)s2)cc1	523740065	VRZWIIWGYQPFFI-UHFFFAOYSA-N	403.551	5.470	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)CCC(=O)Nc3sccc3C#N)s2)cc1	532573032	CVBPFBYEUGQFHF-MRXNPFEDSA-N	424.595	5.382	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@@H]1COc2ccccc21	532848350	HDVNZDJLJJDRFX-VGSWGCGISA-N	413.477	5.345	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc3oc(O)nc3c2)cc1Cl	534872680	VZPTUTZUKOLWME-UHFFFAOYSA-N	405.797	5.103	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]2CCCC[C@@H]12	541086964	NBZGCSSNRIRRNL-DKLXNKCPSA-N	403.526	5.374	30	20	HKED	
COCC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(C)o1	541109090	LXDUIGVYZFLTOJ-WZONZLPQSA-N	417.509	5.265	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)Nc1ccc(OC(F)F)cc1OC(F)F	541236116	QLDOLGPROWFJRG-UHFFFAOYSA-N	417.321	5.587	30	20	HKED	
C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(-c2cccc(C#N)c2)cc1	542060561	HMTWUIUSVHEPBL-QGZVFWFLSA-N	409.489	5.065	30	20	HKED	
CCc1nnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1	543053351	YGXIVHMEJRBEPA-LBPRGKRZSA-N	421.263	5.063	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	546084310	FPWUEAXWGHJZPG-HUUCEWRRSA-N	400.931	5.582	30	20	HKED	
CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F	551533660	DXBTZSCFWYDXHN-JOCHJYFZSA-N	409.411	5.012	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	555120520	YVJKLNODOFVMOX-UHFFFAOYSA-N	410.433	5.215	30	20	HKED	
Cc1n[nH]cc1C1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1	557171737	DSDIKWCALAWDBS-UHFFFAOYSA-N	420.900	5.055	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1	558742352	NIJCKSUBJDEAKQ-CQSZACIVSA-N	410.930	5.204	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1C	603908883	VUZUUTRKCBTLBM-UHFFFAOYSA-N	409.486	5.137	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)ccc21	604691163	JSQHCFNHKYUGMR-ZDUSSCGKSA-N	412.371	5.267	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccccc1-c1ccccc1C#N	608954173	IFLDYTASUZCGAY-UHFFFAOYSA-N	409.514	5.587	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(C)cc1	609377833	OTDHEUNDAGAIDU-QGZVFWFLSA-N	404.539	5.247	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1	609397278	KHBMZULYVPMDOU-LJQANCHMSA-N	410.424	5.400	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCCCOc1ccc(F)cc1	609398657	IBQULKKTVMQDHO-MRXNPFEDSA-N	401.507	5.058	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)nc2n1CCS2	609814426	KQDLQPVCVDVLKK-UHFFFAOYSA-N	421.334	5.148	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	609919236	RNXGRJBUOOESCN-HNNXBMFYSA-N	424.957	5.354	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)N[C@@H](C)c3cccc(C#N)c3)c2C2CC2)cc1Cl	610363196	DIUVLEMYZPCHGF-HNNXBMFYSA-N	404.901	5.074	30	20	HKED	
COc1cc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)cc1[N+](=O)[O-]	611255726	SFNOBYAJWNPOGK-HTQZYQBOSA-N	404.282	5.064	30	20	HKED	
N#C[C@@H](C(=O)c1csc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	613405307	XKJDJRFRAYNXPX-LBPRGKRZSA-N	402.422	6.020	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(CC(F)(F)F)c2)cc1Cl	615699432	FGFYJZBFILULAT-QGZVFWFLSA-N	418.806	5.007	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N(CC=C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	620570233	MZSXNBYMQVIAQQ-ZDUSSCGKSA-N	411.354	5.617	30	20	HKED	
O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674430610	HDEPFZLUPGDYEW-ZNMIVQPWSA-N	412.349	5.049	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1nc(-c2ccccc2)cs1	683221404	VLHPCFOAVAEYMO-LBPRGKRZSA-N	408.351	5.597	30	20	HKED	
Oc1nncc(NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1Cl	727062259	VZHAUGZFVKZZML-UHFFFAOYSA-N	423.687	5.167	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2ccccc2s1	728410588	YLVWHCCSFNRSKL-YLJYHZDGSA-N	412.514	5.531	30	20	HKED	
Cc1cccc2c1CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)C2	729569216	KIQVICYLLJDFMV-UHFFFAOYSA-N	415.468	5.175	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)nc(C)n1	729888795	KLTJPGNPZXRLAD-GFCCVEGCSA-N	420.719	5.214	30	20	HKED	
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)Oc1c(F)c(F)cc(F)c1F	730686164	KCQDXBCXZQRMJI-UHFFFAOYSA-N	423.309	5.410	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccccc2)CCCC1	731066077	QTSYTKAYNYCHIN-GOSISDBHSA-N	422.550	5.075	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H](O)c3ccc4ccccc4c3)c2)cc1	731540664	KWWQNGLZWHHMIP-RUZDIDTESA-N	423.472	5.359	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3SC(F)F)cc2)cc1	731959650	NJKWWPHZDNQDKF-UHFFFAOYSA-N	410.445	6.112	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2)nc1	733234507	HQMRPYCLWZOGLC-QHCPKHFHSA-N	401.466	5.096	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1cc(Cl)ccc1OCC#N	735340324	XFWGBZNCOVDLCY-UHFFFAOYSA-N	416.861	5.170	30	20	HKED	
CCC(=NNc1c(Cl)cc(Br)cc1Cl)c1c(C)nn(C)c1C	741845117	RMWTUOZJGSGLHH-UHFFFAOYSA-N	404.139	5.332	30	20	HKED	
Cc1cccc2c(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c[nH]c12	743093404	TZDWIGLDMJYNMA-DEOSSOPVSA-N	408.505	5.496	30	20	HKED	
C=CCOCCCC(=O)O[C@@H](C)c1sc(-c2ccccc2Br)nc1C	744321131	YNFGIUVORIDKLI-AWEZNQCLSA-N	424.360	5.468	30	20	HKED	
O=C(/C=C/c1ccc(Cl)nc1)c1ccc(Br)cc1Br	748994591	PCCZSBKQOUBUMB-ORCRQEGFSA-N	401.485	5.156	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H](c3ccc(OC)cc3)C2)c1=S	749883773	DZROWTTUPYTYRD-OAQYLSRUSA-N	420.582	5.031	30	20	HKED	
N#C[C@H]1C(CN2CCCC[C@H]2CCCc2ccccc2)=CC(=O)n2c1nc1ccccc12	752083613	SBWSBQBMDBYONC-GOTSBHOMSA-N	424.548	5.101	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCc1cc(C)sc1C	753396109	SSNWAXONBLZVLS-INIZCTEOSA-N	418.946	5.006	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1F	756926315	DKKWGUXSANLKJF-UHFFFAOYSA-N	403.413	5.038	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	760797769	XGUZFXJELXZMIG-UHFFFAOYSA-N	410.832	5.213	30	20	HKED	
Cn1c(CC(=NOCc2ncccc2C(F)(F)F)c2ccccc2)nc2ccccc21	762213073	VKIKZZIECRMDQP-UHFFFAOYSA-N	424.426	5.151	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccccc2OCC(F)F)cc1	762215952	UCKIOLUCLDLMRX-IBGZPJMESA-N	407.420	5.630	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2[nH]ccc2c1)c1nc(-c2c(F)cccc2F)cs1	765929102	JWFDQWXJZVGKDI-ZKKXHLJNSA-N	405.429	5.459	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(Cl)c1	766350918	PHPIDLYSUQXMFK-AWEZNQCLSA-N	402.878	5.433	30	20	HKED	
C#CCCN(CC(F)(F)F)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	767167437	ZUPKWXNSUSHRBZ-UHFFFAOYSA-N	406.791	5.032	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3nnc(-c4ccccc4)s3)cc2F)c1	767606024	BCFXUIPOCIOVHI-UHFFFAOYSA-N	416.481	5.407	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OC[C@H](C#N)Cc1cccs1	772728586	YQJMQJFGYHAOGJ-ZDUSSCGKSA-N	419.428	5.005	30	20	HKED	
COc1cc(C=NOCc2nc(-c3c(F)cccc3F)cs2)ccc1OC(C)C	774724983	YYGZRKLEYKGPSL-UHFFFAOYSA-N	418.465	5.435	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc1C#N	775689349	KANVBTFTOXKTCI-KUHUBIRLSA-N	410.474	5.033	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCC2	780486659	YCLDKYJGCWVONH-CTNGQTDRSA-N	402.523	5.306	30	20	HKED	
N#CC1(COC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CCCCC1	780487557	WJOZAFZLLUIBPZ-UHFFFAOYSA-N	406.269	5.207	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12	780669478	KGLVSNALPGSWBD-NRWZVACBSA-N	423.516	5.396	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=Cc4scnc4C4CC4)c23)cc1	782168564	IPMYNDOUMUMNRJ-UHFFFAOYSA-N	407.524	5.147	30	20	HKED	
CC(C)(C)OC(=O)N1CCC([C@@H](NCc2cccc(C#N)c2)c2ccc(F)cc2)CC1	782756438	IWVDMQARYULSGE-QHCPKHFHSA-N	423.532	5.175	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1cccc2c1CN(c1ccccn1)C2	782794071	GDXCPMCRHVJZCW-UHFFFAOYSA-N	414.509	5.144	30	20	HKED	
COc1cc(C)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1C	783713318	PMKSDMHPFGJXMN-DHZHZOJOSA-N	420.534	5.658	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)n2)cc1	786359694	NWVVRTPJEGYZJS-KFWWJZLASA-N	409.923	5.377	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1	788242706	IWGBPBNVWMDMLV-HXUWFJFHSA-N	424.548	5.283	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	789719433	PVBCOYOQIRISRN-LJQANCHMSA-N	410.945	5.179	30	20	HKED	
CC(C)Sc1cccc(Cl)c1CNc1ccc(N2CCC(O)CC2)c(C#N)c1	792854444	YBFJAJULWOTITH-UHFFFAOYSA-N	415.990	5.285	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2\COc3c(Cl)cc(Cl)cc3C2=O)cn1	792874313	ZXWUTMKWAYZODV-AWNIVKPZSA-N	413.260	5.118	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(C4CC4)cnc3Cl)cc2)c1	793388595	GPRHTPZNAVYJRC-UHFFFAOYSA-N	403.869	5.315	30	20	HKED	
COc1ccc(CCC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1Br	797570554	HNHUHYRHIVGNGO-ZDUSSCGKSA-N	421.360	5.021	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1c(Br)cccc1Br	798755721	SOOJBPKJJRRQLA-UHFFFAOYSA-N	403.114	5.088	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccncc1	806821195	RJMCHJSMIYITMG-RTBURBONSA-N	405.420	5.048	30	20	HKED	
CC(=O)N(c1nc(/C=C2\C(=O)c3ccccc3[C@H]2C)cs1)c1ccc(F)cc1F	809159311	NIMGOHGXUGZMNZ-HIPMGEKLSA-N	410.445	5.489	30	20	HKED	
N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cc(C(F)(F)F)ccn1	813216162	NWDQPGLYVXSNIU-OAHLLOKOSA-N	419.790	5.218	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(F)(c3ccccc3F)C2)cc1	814578114	WDSBOGDENQHUKQ-HXUWFJFHSA-N	403.432	5.194	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1nc2ccccc2s1	865289583	AOCPSZCJJLYTDL-NRFANRHFSA-N	411.530	5.175	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(-c3ccccc3)no2)cc1	915683811	IFADMRBKSVBHIP-HSZRJFAPSA-N	408.461	5.319	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=S)NCCSc3ccccc3)c2)c1	916000158	BVOQETYIRJYABB-UHFFFAOYSA-N	419.575	5.216	30	20	HKED	
FC(F)(F)c1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1	916278080	AHXIAYMVFPQPHW-UHFFFAOYSA-N	412.440	5.212	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3COc4ccc(Cl)cc4C3)n2)cc1	916972580	OLDACHDNNMAZCB-WMZOPIPTSA-N	408.910	5.200	30	20	HKED	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)c(C)n1Cc1ccco1	917645203	UXEUEQZJTOUIJC-RGVLZGJSSA-N	419.531	5.024	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	920803725	ATRYDTOMGHYKAB-CQSZACIVSA-N	418.465	5.586	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1	1789093005	OCMPNVXEVLAOSG-UHFFFAOYSA-N	413.521	5.109	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1	1790267643	ZLQNPGMSLZMAHJ-UHFFFAOYSA-N	403.309	5.317	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4[nH]ccc4s3)CCC2)cc1	1791250227	LBPVLXQBSOPKEW-HNNXBMFYSA-N	407.539	5.189	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)[nH]n1	1819557843	YWDWMQPIVJJDCD-RXVVDRJESA-N	422.573	5.198	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1	1828821688	PXDIHVFWGMUWJX-WOJBJXKFSA-N	424.576	5.056	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(CC)cc2)cc1	10173514	XMBOYIRBEMFJGD-UHFFFAOYSA-O	420.602	5.105	30	20	HKED	
C=CCn1c(SCc2cccnc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	27779273	DTXTVFMEJLDNFQ-UHFFFAOYSA-N	423.538	5.446	30	20	HKED	
C=CCn1c(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)nnc1C1CC1	36849659	IRMKKLRVLBLZOL-UHFFFAOYSA-N	414.534	5.465	30	20	HKED	
CCCOc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OCCC	41554776	NBSPMVWSWYLXPH-INIZCTEOSA-N	406.404	5.168	30	20	HKED	
CN(Cc1ccccc1)c1ccccc1NC(=O)CSCc1ccc(C#N)cc1	60203807	BCSJVIGTXRIHPH-UHFFFAOYSA-N	401.535	5.067	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cc2ccccc2o1	61070824	HOYAVUKJEKWYPB-QGZVFWFLSA-N	412.514	6.088	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1	208021776	QBONRCJIDLPUKD-JYRVWZFOSA-N	418.880	5.447	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)ccc1OC(F)F	212105620	VKYUDTZPOZWSAQ-FPLPWBNLSA-N	405.397	5.455	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)c1cn(CCC#N)c2ccccc12	216238912	KIEGAIFIAXIXGP-INIZCTEOSA-N	402.523	5.040	30	20	HKED	
Cc1cc(C)c2ncc(C#N)c(NCc3ccc(N(C)C(=O)c4ccncc4)cc3)c2c1	301392249	HVHZGGKGGCTUAR-UHFFFAOYSA-N	421.504	5.007	30	20	HKED	
CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1	303293990	BHQYYACEZHRBSH-ROUUACIJSA-N	421.566	5.706	30	20	HKED	
Cc1cccc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C	303687943	LWYFXAQLLSJKEX-OAHLLOKOSA-N	423.567	5.202	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(c2cc(C)ccc2C)C(C)C)nnc1-c1ccco1	429218423	DKMWQKQCLBZDSU-UHFFFAOYSA-N	424.570	5.265	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@@H](CCCC#N)c1ccccc1	431924743	LBUQERRKZNAEII-UZLBHIALSA-N	403.448	5.371	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@H](c2cccc(C(F)(F)F)c2)O1	433288676	ZXDYPDDCMGJPKT-KPZWWZAWSA-N	423.822	5.224	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1	435114607	UQOSBZIPUJMJFD-NHCUHLMSSA-N	408.933	5.170	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccccc1	435620115	ZJRQHRAHTYGDPN-OAQYLSRUSA-N	414.571	5.229	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1	436346146	OGRQHXUSWZHYAW-YEWWUXTCSA-N	401.482	5.284	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CSCc2cscn2)c1	437342854	ZTQJUSUWEBCBRJ-UHFFFAOYSA-N	413.955	5.135	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1	437988148	ADHBGFVMNQJXRD-GFCCVEGCSA-N	405.832	5.571	30	20	HKED	
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)c3ccc(C#N)cc3)cc12	439943555	NRHRCCLIGAVVHU-UHFFFAOYSA-N	406.898	5.197	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC1	441322568	KNVVWXOBAFSYGW-UHFFFAOYSA-N	422.476	5.204	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(F)cc(C(F)(F)F)c3)n2)cc1	447113148	XYZFTMIFUNRCBA-MRXNPFEDSA-N	420.387	5.467	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)c1ccccc1-c1ccccc1C#N	460260546	PKQAUBSHAMMJBM-UHFFFAOYSA-N	400.547	6.428	30	20	HKED	
C=CCn1c(SCc2ccc(C(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1	460668707	ILOKFONZPVWJQV-SFHVURJKSA-N	415.465	5.207	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccc(F)cc1	463934051	JVLYMGWGRSMYNS-QGZVFWFLSA-N	420.509	5.187	30	20	HKED	
CN(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)[C@H]1CCCC[C@H]1C(F)(F)F	464599675	AEBBHZMPVFGRGZ-OLZOCXBDSA-N	417.321	5.083	30	20	HKED	
CC[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1OC(F)F	465588096	DMCSYAVJQDPVCT-SLFFLAALSA-N	413.468	5.220	30	20	HKED	
COCCc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	466925530	WPDFWIVWRZXAFH-UHFFFAOYSA-N	417.484	5.121	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)co2)cc1	467611110	RMKTWEURYLDNBW-UHFFFAOYSA-N	424.460	5.636	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	468679877	LGSYPOSDTWAOLF-UHFFFAOYSA-N	420.406	5.804	30	20	HKED	
CC(C)c1ccc2c(c1)[C@@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCO2	468850119	FAQOKTPYXJSECG-QHCPKHFHSA-N	417.553	5.719	30	20	HKED	
CC[C@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C)cc1	469954495	VMRILPDJIQNFCE-LJQANCHMSA-N	403.526	5.100	30	20	HKED	
Cc1ccc(NCc2nnc(-c3cccc(C#N)c3)o2)cc1OCC1CCCCC1	471672212	TUJYACGLIDOZCB-UHFFFAOYSA-N	402.498	5.488	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC([C@H]3CCCO3)CC2)c1	474528716	RNGOCIHVENJJTE-OAQYLSRUSA-N	410.901	5.035	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1noc(C)n1)c1ccccc1F	475547440	LJJNGVWDEOLWGL-OAQYLSRUSA-N	408.477	5.280	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)c2cccs2)cc1	476078832	HZMYWHURZQLAPN-UHFFFAOYSA-N	404.535	6.105	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSCc1coc(-c2ccccc2)n1	476171103	ZBCFRNADIDZHAE-UHFFFAOYSA-N	406.551	6.065	30	20	HKED	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	481319452	FCEGOZUCGMQRKS-GCJKJVERSA-N	408.567	5.176	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)Cc3ccc(C#N)cc3)o2)cc1	482440254	XGUMCUQPAIRQKS-UHFFFAOYSA-N	407.473	5.461	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cnc2ccccc2n1	483205180	USHMCUFXECSZPM-FQEVSTJZSA-N	418.431	5.474	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	483494244	WBGTVRDNXQEOEA-CQSZACIVSA-N	406.392	5.139	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc2cc(Cl)ccc2s1	492120625	CFYHYDYVTZVRRR-LLVKDONJSA-N	401.925	5.625	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cscc1Br	505319318	GLCYJFCQMDCMRE-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)c1nc(-c2c(F)cccc2F)cs1	505426442	HKGYCFPWPJVPNX-JTQLQIEISA-N	424.259	5.641	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1	505825710	KIWMZRPJWGYTOH-HSZRJFAPSA-N	417.509	5.163	30	20	HKED	
CC1(C#N)CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1	507836380	FNZYPIPZCHHZHK-UHFFFAOYSA-N	424.953	6.144	30	20	HKED	
CCN(Cc1cccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509856507	UZZQXJQQDLEMEJ-UHFFFAOYSA-N	405.523	5.447	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCc1nc(O)c2cc(Cl)ccc2n1	510213239	VTMNOVDXMKQVCW-UHFFFAOYSA-N	404.882	5.215	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1C(C)C	512269505	IQTMIOZEGUYNRM-UHFFFAOYSA-N	416.481	5.269	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)n1	513102957	PGDFKIVGCOXLJU-UHFFFAOYSA-N	420.472	5.155	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	513114154	XQRLBMLKTRRNFQ-UHFFFAOYSA-N	404.967	5.169	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F	513496598	HNEIXDHZUKFISJ-KRWDZBQOSA-N	403.408	5.021	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1cccc(OC(C)C)c1	514566087	AFJZNVCYDYQBOP-UHFFFAOYSA-N	413.518	5.262	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1	517304934	RWOROOVBAIQQKL-UHFFFAOYSA-N	415.002	5.403	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	517530481	RZJYCQDVUXHJMB-OAHLLOKOSA-N	407.420	5.854	30	20	HKED	
CCSc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	518363202	YGFNHIBHKLHUOZ-INIZCTEOSA-N	403.507	5.349	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1cccc(Cl)c1Cl	519450320	ACHDDIYOWZRGCC-CYBMUJFWSA-N	408.354	5.609	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Br)s1	520939270	PEHIDWYGFRCIIX-GFCCVEGCSA-N	424.389	5.269	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1Br	521206434	DJTIOMXGTPIVBL-UHFFFAOYSA-N	404.283	5.150	30	20	HKED	
CCc1c(C)sc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1C#N	524330386	IXGLPBILARMEPD-UHFFFAOYSA-N	406.536	5.048	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1	534607279	PQZGITAAEZPKQY-SOLBZPMBSA-N	418.632	5.095	30	20	HKED	
N#C[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nc(-c2ccccc2)cs1	536253334	RNKWWMNFZREUCN-MRXNPFEDSA-N	402.504	5.179	30	20	HKED	
N#CC1(CCCSc2nc3ccccc3n2CCc2ccccc2)CCOCC1	537468124	VFAJFSXDCJXWFH-UHFFFAOYSA-N	405.567	5.472	30	20	HKED	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	538190071	LONHZHVJQFXBAF-AWEZNQCLSA-N	415.540	5.599	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(C)c1cc(Cl)ccc1C#N	538663265	YRDNXIPDPOMUBU-UHFFFAOYSA-N	403.841	5.198	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2COC(C)(C)C)cc1	539113398	WVTOSIXQVQKLOM-UHFFFAOYSA-N	406.526	5.068	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1c1ccc(Br)s1	542276809	BKHOUWDLEPUEIP-SNVBAGLBSA-N	402.239	5.138	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1	543210854	NYGLMXCJVSBXPI-NRFANRHFSA-N	423.438	5.222	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)C2CC2)cc1	544235836	VYOWBHNRNGTNGL-UHFFFAOYSA-N	416.506	5.069	30	20	HKED	
Cc1cc(Cl)c2ncc(C#N)c(NCc3cccc(COC4CCOCC4)c3)c2c1	549263932	PXHJSMMRQOAERW-UHFFFAOYSA-N	421.928	5.376	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1	557588052	JIDOZMMUZBPUFI-UHFFFAOYSA-N	419.399	5.269	30	20	HKED	
COc1ccc(Cl)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1	561080475	FESSYXNHSHPZBK-UHFFFAOYSA-N	418.324	5.119	30	20	HKED	
C[C@H](NC(=O)N[C@@H](C)c1c(F)cncc1F)c1ccc(-c2cccc(C#N)c2)cc1	561967009	LOTUKTPIXVRTNU-GJZGRUSLSA-N	406.436	5.020	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	562109259	SPJCEXQXNBNIAG-QHCPKHFHSA-N	414.465	5.123	30	20	HKED	
C=CCC[C@H](C(=O)N(C)c1ncc2c(n1)-c1ccccc1SC2)c1ccccc1	565857400	BBVCNLJFGIHSNJ-IBGZPJMESA-N	401.535	5.462	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(F)(c3cccnc3)CC2)cc1	569826700	LDYIWFZAGBJEMK-UHFFFAOYSA-N	415.468	5.155	30	20	HKED	
C=CCN(C(=O)c1coc(CC)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	580674687	BJNGOKPGXJKDMR-UHFFFAOYSA-N	408.310	5.500	30	20	HKED	
C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cn1)c1ccccc1	581225550	OWSVSZYIEXUAPO-KSSFIOAISA-N	411.383	5.125	30	20	HKED	
Cc1csc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1C#N	589034865	WFBGUBBPNULBQP-UHFFFAOYSA-N	414.284	5.130	30	20	HKED	
CC(C)OCc1cc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1O	589242073	IZPNVAKDQBBFEA-UHFFFAOYSA-N	418.453	5.020	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)c1ccccc1	602100551	KPKAWBITXDYFAU-LJQANCHMSA-N	412.489	5.179	30	20	HKED	
N#Cc1ccsc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	603452076	UUTXOOUCHXRKPJ-UHFFFAOYSA-N	407.545	5.653	30	20	HKED	
N#Cc1c(NC(=O)c2cc(Cl)c3c(c2)OCO3)sc2c1-c1ccccc1CC2	603992338	RQXRLGRSRPEKCR-UHFFFAOYSA-N	408.866	5.020	30	20	HKED	
CCCOc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	604003851	ZHFQXYHOTODSQT-UHFFFAOYSA-N	400.478	5.373	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12	609070555	BREGHWVOEOJJHV-GOSISDBHSA-N	407.945	5.284	30	20	HKED	
CC(C)(C)n1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1	609079952	OJELNLHEKGECNS-UHFFFAOYSA-N	423.904	5.386	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1	609377624	XXLYERMLJVKYPV-CQSZACIVSA-N	406.473	5.873	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)NC(c1cccs1)c1cccs1	610010772	ZDLAQSSSGXKJKR-UHFFFAOYSA-N	413.593	5.003	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610321421	UELSQMFUJVLMDF-KSFYIVLOSA-N	416.456	5.500	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)C1CC1	611094840	ZQONLYAPSYKPLD-AWEZNQCLSA-N	403.404	5.654	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1Br	616327233	ANGQFRIZCIKTFM-ZDUSSCGKSA-N	403.345	5.713	30	20	HKED	
C=CCOc1ccc(C(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc1	642093251	MURKKKACLFUYOG-UHFFFAOYSA-N	411.889	5.007	30	20	HKED	
C[C@H](N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	644554313	WJRKEUHWXROBCO-HJIKLVIJSA-N	409.292	5.221	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2cc(Br)ccc2c1)c1ccc2ccccc2n1	676497523	BVIPEBKDIGHTEZ-LJQANCHMSA-N	401.263	5.641	30	20	HKED	
Cc1ncccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C\c2cccnc2C)C1=O	728786035	RCNFGWITQVWWRO-PMICNGQHSA-N	405.501	5.385	30	20	HKED	
CCC(CC)CN(CCC#N)Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S	729471677	OWXCTVFAHUQEEU-UHFFFAOYSA-N	420.586	5.075	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2ccccc2s1	730394959	OYCLTJZCFAQATL-GCJKJVERSA-N	418.518	6.145	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1=NO[C@H](c2ccccc2)C1	730996155	VYXDUVDPIRJEBF-KRWDZBQOSA-N	419.428	5.167	30	20	HKED	
C=CCCO[C@H](C)C(=O)O[C@@H](c1c(F)cncc1Br)C1CCCCC1	732524163	QIWORMVAZVNBAN-FZKQIMNGSA-N	414.315	5.129	30	20	HKED	
CCOC(=O)c1c(C(C)C)csc1NC(=S)Nc1ccc(C#N)c(Cl)c1	732624101	XKXOAOAMAYYFQK-UHFFFAOYSA-N	407.948	5.382	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccccc3SCC#N)s2)cc1	733785372	XNRZWGZEZISPRC-AWEZNQCLSA-N	423.563	5.234	30	20	HKED	
CC(C)(CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)NC(=O)OC(C)(C)C	739156927	SCDOBEXUMUBQFK-CYBMUJFWSA-N	421.950	5.209	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1	739157845	XTBOJRUHJKFSCS-MFKMUULPSA-N	407.347	6.158	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)s1	741700902	IIACAXVUQNSQGA-KRWDZBQOSA-N	406.555	5.126	30	20	HKED	
Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1	743093466	VLIHLEZKPWPTLL-AHWVRZQESA-N	424.548	5.441	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744076158	ZZEOKBWYAYAQFE-GPINWOSQSA-N	418.509	5.638	30	20	HKED	
CCOc1c(OC)cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)cc1OC	750909242	KEMDDWRUJZWQAR-VURMDHGXSA-N	424.465	5.322	30	20	HKED	
FC(F)(F)C(=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	751954347	CAXNUXNMENPQSA-UHFFFAOYSA-N	416.186	5.527	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccccn3)n2)CCc2sc(Br)cc21	754683130	BFNFHSJGGNWTLG-JXMROGBWSA-N	403.326	5.242	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cc1	757818260	JJCRNYWKMBMSFG-ZEQRLZLVSA-N	423.516	5.910	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc(-c2ccncc2)cs1	759269785	WWKTWNABWOMFEO-XFHJGTJQSA-N	416.893	5.296	30	20	HKED	
Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	760204410	OJXZUIDZBJPHLQ-QGZVFWFLSA-N	408.498	5.609	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)Nc2ccc(F)cc2OCC#N)cs1	760783457	AIZUAKVMURXHBV-UHFFFAOYSA-N	413.499	5.038	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)cc1	766615143	CDQOKRXTMLCNSH-DYVFJYSZSA-N	411.324	5.553	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771098692	OOMCRUJUZWURAB-GFOMBABLSA-N	424.497	5.188	30	20	HKED	
N#C[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1	772671688	JQWLSKSJMZHNAB-HZPDHXFCSA-N	418.107	5.105	30	20	HKED	
N#C[C@H](C(=O)C1CCC(C(F)(F)F)CC1)c1nc(-c2ccc(Cl)cc2)cs1	774053701	JUZWDECEBLYKFS-SSDMNJCBSA-N	412.864	6.008	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC[C@@H](C#N)Cc1ccccc1	781818412	VZJLETLBRIYKTI-OAHLLOKOSA-N	415.276	5.496	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)c3c[nH]c4ccccc34)n2)cc1	786358418	HEZLNLSYVKGPSD-HNAYVOBHSA-N	415.518	5.670	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	789453132	ZSHWGFTWEDLUBS-UHFFFAOYSA-N	405.542	5.096	30	20	HKED	
O=C(/C=C\c1ccc(-c2cccc(F)c2F)o1)c1ccc(N2CCC(O)CC2)cc1	790220043	QODPTTZAESMABU-NTMALXAHSA-N	409.432	5.082	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2ccc(SCc3ccccc3)cc2)cc1	791707080	RZAHNQIOPXWXKD-QHCPKHFHSA-N	412.514	5.276	30	20	HKED	
Cc1cccc(COc2cccc(CC(=O)[C@H](C#N)c3nccc4ccccc34)c2)c1	792095924	YIPBICCWDZZPHI-VWLOTQADSA-N	406.485	5.541	30	20	HKED	
O=C1COc2ccc(/C=C(/C(=O)c3nc4ccccc4s3)c3ccccc3)cc2N1	794936607	BXFHMLYMPWMHKK-SFQUDFHCSA-N	412.470	5.051	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1ccccc1-c1ccccc1	795138681	HACCEFSRYDRMAF-UHFFFAOYSA-N	404.583	5.906	30	20	HKED	
Cc1ccc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1C#N	799363276	XUDLWDGENWQMSP-UHFFFAOYSA-N	420.494	5.201	30	20	HKED	
O=C(/C=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1cnn(C2CCCC2)c1	799897492	VWQDDZDCNCNXFM-KTKRTIGZSA-N	411.303	5.047	30	20	HKED	
COc1ccc(Nc2nc(Cl)c(C#N)s2)cc1OCc1ccc2ccccc2n1	804427995	JYGCJMBFQDELEI-UHFFFAOYSA-N	422.897	5.548	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccc(F)c(Br)c1	813061277	FYNUYTLIRORJJW-DGCLKSJQSA-N	401.235	5.099	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2ccc(F)cc2)s1	916916032	NTFXVACZGDOZQV-IBGZPJMESA-N	414.461	5.669	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3ccco3)sc2C)cc1	916951679	ZUELGPWUCDBLRB-GUYCJALGSA-N	407.495	5.186	30	20	HKED	
N#C[C@H](C(=O)CSCc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	916976850	GYTDLPKJZDBQGH-QGZVFWFLSA-N	416.930	5.712	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(Br)c1)c1nc2ccccc2n1C(F)F	917039701	BNLGGNBQNUUFEB-CQSZACIVSA-N	418.241	5.003	30	20	HKED	
N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc2ccccc2o1	917509939	HCYWLXXXXANUQF-HXUWFJFHSA-N	423.447	5.924	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)/C=C/c1ccc2ccccc2n1	919893765	OPMATCGJLMNUIE-XNTDXEJSSA-N	405.457	5.859	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2	1798337586	BSXMDVMUHOYOCS-CIAFKFPVSA-N	402.623	5.390	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)C1	1823701279	FXSXNOUYKVGLRL-HSZRJFAPSA-N	414.634	5.179	30	20	HKED	
COc1ccc(C)cc1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	15176124	AQZLKDSVZHKLJZ-UHFFFAOYSA-N	416.546	5.140	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1	55429259	MTUXFAQKCXZGJZ-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
CCc1cc(C#N)c(NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)s1	195535728	LNMMNTNIPSDSTB-UHFFFAOYSA-N	411.530	5.887	30	20	HKED	
N#CCCn1cc(CNc2ccc(COC3CCCC3)cc2)c(-c2ccccc2)n1	237833049	BNTCYSNFZWAAND-UHFFFAOYSA-N	400.526	5.535	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1cccc(OC(F)F)c1	303581722	PCJXXFIPRHHQHZ-MRXNPFEDSA-N	422.431	5.230	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1	430935723	RBKUCPKMIWCJGZ-UHFFFAOYSA-N	409.301	5.903	30	20	HKED	
CCCOc1cccc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	432643551	OQQWWQXJZWGPLI-UHFFFAOYSA-N	414.505	5.302	30	20	HKED	
C=CCn1c(S[C@H](Cc2cccc(Cl)c2F)C(C)=O)nnc1-c1ccoc1C	436135856	RNIIRJIORXEURB-QGZVFWFLSA-N	419.909	5.117	30	20	HKED	
COc1cc(OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)ccc1C#N	436237129	GJHFQBVBOMELOG-UHFFFAOYSA-N	421.522	5.212	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(OCc2cscn2)c1	438207497	BRFFLHKQNMJHRQ-YADHBBJMSA-N	418.522	5.026	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	439553040	SJFQBMQWVSWSKF-INIZCTEOSA-N	412.301	5.787	30	20	HKED	
C=CCn1c(SCc2csc(CCc3ccccc3)n2)nnc1-c1ccoc1C	440189798	OTCIJKXBAPAJIX-UHFFFAOYSA-N	422.579	5.567	30	20	HKED	
C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)CCCC1(C)C	444778223	VCKLAMPOAJXXPO-HXUWFJFHSA-N	418.006	6.048	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1	448403662	HTVRBLGSNBOAJR-UHFFFAOYSA-N	401.919	5.009	30	20	HKED	
Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1	463730083	PGSHOBWMSMCXGJ-SFHVURJKSA-N	402.542	5.248	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1cc(C(F)(F)F)ccn1	464407172	GEPLGGVSXUVZRN-CQSZACIVSA-N	400.381	5.211	30	20	HKED	
COc1ccc(-c2n[nH]cc2C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	464531825	YCEQGQPZOVJFLQ-GOSISDBHSA-N	414.490	5.007	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c12	464957378	YMUPPPBEKKEXNF-PZJWPPBQSA-N	414.509	5.136	30	20	HKED	
C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	466598679	DXYFPCQJBXZXJW-UWJYYQICSA-N	406.526	5.036	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(Br)cc1C#N	468766702	AVRSETUYRKHWJY-UHFFFAOYSA-N	415.331	5.585	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3COCc3ccccc3)on2)c1	469079414	SEAPQDODNGXLBY-UHFFFAOYSA-N	409.445	5.182	30	20	HKED	
CC(C)N(CCCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F	472256155	GTDZTDMULZMHHY-UHFFFAOYSA-N	403.876	5.338	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1	473824130	NUHMITCHXDVPRM-GJZGRUSLSA-N	407.499	5.014	30	20	HKED	
N#CC[C@H](CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)c1ccccc1	475922488	TZZQLBZXPZMVGE-LJQANCHMSA-N	418.518	5.140	30	20	HKED	
Cn1cc(CNCc2ccc(OCCSc3ccc(Cl)cc3)cc2)cc1C#N	480392524	XNCOZHFWQHJJMS-UHFFFAOYSA-N	411.958	5.011	30	20	HKED	
COCCNc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	480796138	OMAMJLOEBYHRRT-UHFFFAOYSA-N	421.884	5.315	30	20	HKED	
C=CCN1CCC(N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)CC1	482636194	ZJUKXXKLMPBUCP-AWEZNQCLSA-N	420.420	5.182	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1	485469030	USNIVNFWCAOOET-UHFFFAOYSA-N	406.507	5.200	30	20	HKED	
CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n[nH]1	486910889	GNKJLXHWVYSRSI-ZIAGYGMSSA-N	422.464	5.004	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(N2CCCCC2)n1Cc1ccco1	488597773	FIQSAUUFDPMUJV-UHFFFAOYSA-N	421.570	5.003	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C(C)C)o2)cc1	489808074	NKMDSRGLLVKBNH-MRXNPFEDSA-N	423.538	5.544	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1)c1ccccc1	490274200	RZYIKUHEATWWFS-KRWDZBQOSA-N	412.946	5.308	30	20	HKED	
CC(C)(CCC#N)CNC(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1	491146888	NKACDQDIOPQOEQ-OAQYLSRUSA-N	413.949	5.227	30	20	HKED	
N#CCN(C(=O)c1cccc(OCc2ccccc2Br)c1)c1ccccc1	495501090	DAALMXNUWGWDRD-UHFFFAOYSA-N	421.294	5.198	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cs2)c1	499861022	JQKVTHNYFCYZLC-KRWDZBQOSA-N	416.333	5.349	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12	500741708	ZNHSOSRZNDRHDX-UHFFFAOYSA-N	424.460	5.633	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCC23CCOCC3)cc1Cl	502175420	VURPSFZPNKOWQB-IRLDBZIGSA-N	423.944	5.466	30	20	HKED	
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1	503467361	GYOCUNGJYUHROX-UHFFFAOYSA-N	423.900	5.098	30	20	HKED	
C[C@@H](SCCOc1cccc(C#N)c1)c1nc(O)c2c(-c3ccco3)csc2n1	504434254	MCDIXPLBZRJLKJ-CYBMUJFWSA-N	423.519	5.402	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1	508276856	WYECNMFWWABJGA-NRFANRHFSA-N	417.440	5.307	30	20	HKED	
C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(OC2CCCC2)CC1	508846425	RISFATILTQSSAU-UHFFFAOYSA-N	420.479	5.078	30	20	HKED	
COc1ccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1OCCCC#N	509585707	QBACJMPAEBNFAK-UHFFFAOYSA-N	419.500	5.287	30	20	HKED	
CCN(C[C@H](C)C#N)C(=O)c1ccccc1SCc1ccc(Br)cc1	509722747	UKRGFXTZXLBTCA-OAHLLOKOSA-N	417.372	5.363	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	510124444	QKNNXXQJMQZCMO-LBPRGKRZSA-N	404.879	5.109	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc(C#N)cc1	510391480	YWGFBWDFBUCWAX-UHFFFAOYSA-N	422.282	5.175	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1Cl	511512112	JSXAJYKIMMEIQA-OAHLLOKOSA-N	418.884	5.347	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)c1ccccc1	511566637	QJIMABFWKQIKJF-CTNGQTDRSA-N	419.422	5.331	30	20	HKED	
C=CCN(C(=O)COc1ccc(F)cc1Cl)c1nc(-c2ccccc2)cs1	512418264	MGDIHKZHPJKIEP-UHFFFAOYSA-N	402.878	5.201	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F	513083212	NURPLRILVHJDJA-GFCCVEGCSA-N	412.914	5.017	30	20	HKED	
CC(C)[C@@H]1C[C@@H](CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	513680080	KNTIGALBRRZEQY-URXFXBBRSA-N	408.517	5.067	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3noc4c3CCCC4)cc2Cl)cc1	514146611	AYSGGSLRGKXAJP-UHFFFAOYSA-N	422.872	5.192	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1	516124761	XYYLSLHMJGXMKA-UHFFFAOYSA-N	413.905	5.699	30	20	HKED	
Cc1ccc(C[C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C)c1	517493821	LYJALKLIIUEWAK-NRFANRHFSA-N	414.553	5.058	30	20	HKED	
Cc1c(C(=O)N(CCC#N)c2ccc(F)cc2)oc2ccc(Br)cc12	517603210	UXHWYIODVOAUJP-UHFFFAOYSA-N	401.235	5.203	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc4c3CC[C@@H](C)C4)n2)cc1	517800794	JNJJSSGXDYTCRW-DYVFJYSZSA-N	408.548	5.495	30	20	HKED	
N#CCCSc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1	518143238	GZBZZCSVAPAVJI-UHFFFAOYSA-N	404.417	5.373	30	20	HKED	
Cc1cc(-c2noc(CCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)ccc1F	518241159	YXIDWNASUBUUEL-OAHLLOKOSA-N	424.501	5.150	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccsc1	518255424	CUNQZQRSPMBWKB-LPHOPBHVSA-N	416.616	5.347	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc(-c2ccccc2)cs1	518516749	VYDVEMZITQMLKS-HXUWFJFHSA-N	411.486	5.274	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(Cc2ccc(F)cc2)n1	518938923	CMVDTJYFKAWOSJ-UHFFFAOYSA-N	420.962	5.345	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1	520875742	TTYMSGATAQLIKB-PKOBYXMFSA-N	408.926	5.159	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)n1	521361933	RWFPQGVXJGEUPW-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@H](C)c1ccc(C#N)cc1	523906834	RMNJLNYJTHEZAD-OAHLLOKOSA-N	400.320	5.002	30	20	HKED	
C[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@@H]1c1ccccc1	532972030	LAMGKZBNEDYTGX-SBHAEUEKSA-N	407.583	5.145	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccsc3C2)cc1Cl	534091058	TUXBNGVBTCLZMX-IBGZPJMESA-N	407.926	5.647	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cnc([C@@H]3CCCO3)s2)c1	534815510	LWKPRSRHEVSKEF-IBGZPJMESA-N	423.925	5.367	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1	537099641	KLSNJLJYKYAZTC-LXGCGDOSSA-N	415.946	5.243	30	20	HKED	
CN(Cc1cccc(OCc2ccccc2C#N)c1)Cc1nccn1Cc1ccccc1	538730875	YPPWEQPRMVFSMA-UHFFFAOYSA-N	422.532	5.014	30	20	HKED	
CC[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccccc2[nH]1	540308091	MFEXWLMEFYMGQB-NRFANRHFSA-N	409.493	5.052	30	20	HKED	
N#CCCCOc1cccc(N[C@H]2CCCOc3ccc(Br)cc32)c1	540726069	VIQXYICULOZFIV-IBGZPJMESA-N	401.304	5.457	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1	543685270	UVTSEEFLDNFPEJ-JXFKEZNVSA-N	411.512	5.084	30	20	HKED	
N#Cc1ccc(-c2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)s1	545618375	DEYNFVKTBPZDKF-UHFFFAOYSA-N	409.474	5.249	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC(C)C)CC1	559003608	DSXCVCOTNPBZMH-KRWDZBQOSA-N	418.969	5.041	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)c2ccccc21	577437283	ZYSTVBHSRIBQPZ-NRFANRHFSA-N	403.501	5.322	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cc2)ccn1	578102812	ZSSIDTJYRWGWNP-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC=C(c2ccccc2)C1	579578165	PFAUTCLVTRFNNH-UHFFFAOYSA-N	418.566	5.059	30	20	HKED	
Cc1noc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1	583650360	ZOEUCJRZBSDRJD-ICSRJNTNSA-N	421.888	5.056	30	20	HKED	
CCC(CC)(CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)O	603952762	FITCFUIGPBTOED-UHFFFAOYSA-N	400.862	5.224	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)cn2)cc1	604408152	KATYXOYSBVGNNV-UHFFFAOYSA-N	420.881	5.708	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)Nc3ncccc3OCCCC#N)cc2)cs1	608868884	ANXVETGERVLVKB-UHFFFAOYSA-N	424.551	5.074	30	20	HKED	
CCC(CC)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccs1	609436565	AOZFYAODKSCWCD-MGPUTAFESA-N	401.601	6.441	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](CC)c1ccccc1	609438572	PRUAWMNLCJASAI-NQIIRXRSSA-N	423.582	5.409	30	20	HKED	
Cc1cc(CN(C)C(=O)c2ccc(C#N)nc2)cc(C)c1OCc1ccccc1Cl	609652809	IGMCGZPKUNFOKV-UHFFFAOYSA-N	419.912	5.075	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	610018799	RRVQPRKVQJABJT-NRFANRHFSA-N	416.481	5.369	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cc(F)ccc1F	610141770	MTNLYGNYKUCTID-HXUWFJFHSA-N	408.408	5.297	30	20	HKED	
Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2)n1	611165792	QHUIDMRHWFEFFT-AWEZNQCLSA-N	413.308	5.159	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N1CC[C@@](F)(C#N)C1	615536716	HKNLTYYSLLRFRP-HSZRJFAPSA-N	423.467	5.201	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2cccc(Br)c2)C2CCOCC2)cc1Cl	619755804	UJSZDDZSEVZZRK-HXUWFJFHSA-N	419.750	5.232	30	20	HKED	
CCN(C(=O)c1oc2ccc(CCC(C)=O)cc2c1C)[C@H](C)c1ccc(C#N)cc1	642066442	CGRUDGQSQPJEOB-GOSISDBHSA-N	402.494	5.358	30	20	HKED	
O=C(Cc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642157943	PHCZQPMOXWIAIK-RYUDHWBXSA-N	421.303	5.274	30	20	HKED	
N#C[C@H](C(=O)c1ccn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	642281328	ZWFATKZUXBHAEF-QGZVFWFLSA-N	404.882	5.139	30	20	HKED	
Cn1ccnc1[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1	679580352	HBRVOYFXGBVFSJ-XJKCOSOUSA-N	423.376	5.148	30	20	HKED	
C#Cc1cccc(N2C(=O)/C(=C/c3csc(-c4ccc(F)cc4)n3)SC2=S)c1	726626265	CIRLIVVXUMPXOW-WQRHYEAKSA-N	422.531	5.336	30	20	HKED	
Cc1ccccc1C1(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1	727038187	HQDJQFILNVPJNX-AWEZNQCLSA-N	400.425	5.532	30	20	HKED	
C=CCOc1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cc1Cl	727490579	PBGCUXJPEAASKG-MHWRWJLKSA-N	407.969	5.368	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2nc(-c3ccsc3)oc2C)c1	728182061	SULSTNCMQWCNBS-UHFFFAOYSA-N	418.543	5.530	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)Nc1cccc(OCC#N)c1	729036691	LHXYJPCIBZSUJI-UHFFFAOYSA-N	423.513	5.899	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	731136933	WPUVHKDYKOKRBP-WMLDXEAASA-N	414.452	6.002	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731961932	DSWWSHMUPUMJDS-IQGLISFBSA-N	418.562	5.612	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)c(C(F)(F)F)c1	731981666	KOVORESUGWCHED-CQSZACIVSA-N	422.472	5.680	30	20	HKED	
N#CCCN(C(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(F)cc1	732093690	LFAPJMGJQCTJDE-UHFFFAOYSA-N	413.452	5.446	30	20	HKED	
Cc1ccc(-c2ncc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)s2)cc1	734306531	PWGIHWFUTHRLIZ-WOJGMQOQSA-N	405.548	5.627	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccncc1	734662065	VSUQGGRHSBTXOC-GOTSBHOMSA-N	405.929	5.635	30	20	HKED	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	742537120	GZLTWZCPGJJWKJ-FCHUYYIVSA-N	419.525	5.070	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1C(F)(F)F	744370823	GXAJATBLTIKHJP-UHFFFAOYSA-N	408.470	5.698	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1c(C)cccc1C	745724872	YYULBRCGDSDXER-UHFFFAOYSA-N	403.526	6.026	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1C	748290212	IJZJLXOUNKSYDI-UHFFFAOYSA-N	401.491	5.229	30	20	HKED	
Cc1nc(/C=C/c2ccc(Cl)nc2)sc1C(=O)/C=C\c1ccc(Cl)nc1	748997374	JWMXUSYPHSZZHS-JJCLXCMFSA-N	402.306	5.615	30	20	HKED	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1	749222484	SRRKSCDMUMRVDK-DEOSSOPVSA-N	416.525	5.102	30	20	HKED	
CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1-c1ccccc1	755237313	CUZVUOKAIOIBQZ-UHFFFAOYSA-N	411.505	5.043	30	20	HKED	
CCN(C(=O)CSCc1cc(Cl)ccc1OCC#N)[C@@H](C)c1ccc(F)cc1	762815344	YDHLWGDAVQGCIB-HNNXBMFYSA-N	420.937	5.224	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1	762997774	ZLTZLEDKNOEGHR-MRXNPFEDSA-N	423.469	5.320	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2ccc(F)cc2)c1=S	765062207	XANISVVDXIRZQY-NRFANRHFSA-N	423.561	5.376	30	20	HKED	
N#C[C@H](C(=O)[C@@H](c1ccccc1)C1CC1)c1nc2cc(C(F)(F)F)ccc2s1	765915114	JJXKBQZBCXAOSR-QAPCUYQASA-N	400.425	5.685	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1	766376504	WQJCHYUMHRHZPP-IUODEOHRSA-N	404.885	6.095	30	20	HKED	
COc1ccc(C(=O)N2CCCCCC2)cc1NCc1ccccc1C(C)(C)C#N	767811841	VZNJRGJALPDNLP-UHFFFAOYSA-N	405.542	5.125	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)c1	767814712	MGQJMZJSOKSLBD-FXAWDEMLSA-N	419.447	5.169	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3cc(-c4ccco4)nc4ccccc34)CC2)cc1	767984036	SZBGSZBLGPGBLB-UHFFFAOYSA-N	405.457	5.296	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1	777470722	FRRCXSXSDHFOQQ-UHFFFAOYSA-N	416.934	5.045	30	20	HKED	
Cc1cccc(Oc2ccc(NC(=O)CNc3ccccc3O[C@@H](C)C#N)cc2)c1	779740119	FAZAYWSSGZLVFK-SFHVURJKSA-N	401.466	5.129	30	20	HKED	
CC(C)Sc1cc(Br)ccc1CNCc1ccc(OCC#N)cc1	779970774	OBIRZPDCVZHWPO-UHFFFAOYSA-N	405.361	5.142	30	20	HKED	
Cn1nc(Br)cc1/C=C(/C(=O)c1ccccc1)c1nc2ccccc2s1	782299915	AUMAKCQLQNYMSL-PTNGSMBKSA-N	424.323	5.216	30	20	HKED	
C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1	795993577	VJLJKUKLOQZTTM-DENIHFKCSA-N	412.489	5.311	30	20	HKED	
C=CC[C@H](OC(=O)CSc1nncn1C(C)C)c1ccc(Cl)c(Cl)c1	797552674	HMIGKIITFYXASF-HNNXBMFYSA-N	400.331	5.119	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C\c2csc(-c3ccc(F)cc3)n2)C(=O)c2ccccc21	802708826	WTUXNISBYIZEDQ-WLEBTQASSA-N	407.466	5.266	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1	806200282	CFNNYTFQECUARI-YAOOYPAMSA-N	421.544	6.142	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1	808843770	TYUBGTWEPJSZAT-AWEZNQCLSA-N	418.324	5.696	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NCc3ccc(C#N)cc3C(F)(F)F)cccc21	810148715	YHWXRKUDGJIGGL-UHFFFAOYSA-N	417.431	5.487	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NCc1cc(C#N)cs1)CC(C)(C)O2	810176252	TZXXTXIVOWMIBO-SFHVURJKSA-N	413.543	5.359	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(Cl)nc21	912858954	MPHXKKPKAPVKNN-XQRVVYSFSA-N	405.241	5.123	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915086912	YGRLKHLKCIRUCJ-CQLNOVPUSA-N	409.489	5.189	30	20	HKED	
Cc1c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2ccc(F)cc12	920341607	BTCWAZIQKIFVMR-JOCHJYFZSA-N	413.452	5.858	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)c1cccc(Cl)c1	921005435	DHXGIHSRGPNZSJ-UWVGGRQHSA-N	423.731	5.458	30	20	HKED	
CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1	1786395212	SJGDVCUUGWOFTN-NRFANRHFSA-N	422.550	5.135	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)C[C@H]4C)cc3)CCC2)c1	1790425228	DQJICGDDCAIMQX-QJMRKGMQSA-N	415.537	5.107	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccccc1F	22696157	RMRWKZLRULTRQE-UHFFFAOYSA-O	415.460	5.005	30	20	HKED	
C=C(C)CN/C(S)=C(/C(=O)c1sc2ccccc2c1C)[n+]1ccc(CCC)cc1	27310216	YGQOQAINIMUYMF-UHFFFAOYSA-O	423.627	5.554	30	20	HKED	
N#C[C@H](C(=O)c1cncc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1	46443554	SAJWEYXKKZMZER-CQSZACIVSA-N	418.703	5.111	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21	72023582	NKDFZEGKDMUZPW-LJQANCHMSA-N	420.921	5.616	30	20	HKED	
N#Cc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1	208570264	UNVWSXYAPOWXEN-OQLLNIDSSA-N	401.278	5.052	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1cnn(C(C)C)c1	214920580	SYCLCOWIPBRZOF-HJWRWDBZSA-N	403.313	5.220	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21	303403580	RUNKVZIKBOPMFL-JTSKRJEESA-N	405.567	5.029	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C	410355736	SKPYBIJWEGNAHM-UHFFFAOYSA-N	408.498	5.819	30	20	HKED	
CSC[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	432682895	VLOYMTXREWKNBD-JXFKEZNVSA-N	413.974	5.602	30	20	HKED	
CC(C)(C#N)CCCCSCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1	435889984	QXUWAGIQTJQVPR-UHFFFAOYSA-N	408.614	5.167	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cc(C#N)oc2C)ccc1Cl	436131700	SIOXQHHOAZPEPL-UHFFFAOYSA-N	421.884	5.028	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	436335111	MCPUIKGDFTXQPC-OGHNNQOOSA-N	403.910	5.551	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1	438426727	AYJYWOJPHYNIMI-XUTJKUGGSA-N	415.459	5.443	30	20	HKED	
C=CCn1c(Sc2ncnc3sc4ccccc4c23)nnc1-c1ccoc1C	440654036	RLIYMGGSTISQNS-UHFFFAOYSA-N	405.508	5.342	30	20	HKED	
CCCc1c(NC(=O)Nc2cc(C(C)C)c(O)cc2C)cnn1-c1cccc(C#N)c1	443382354	RJTGBTNCZJGREM-UHFFFAOYSA-N	417.513	5.478	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c2ccccc21	444302486	AZRSIJVPTLZAPD-LJQANCHMSA-N	417.509	5.196	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccccc4Br)no3)cc2)nc1	445382068	CBILKDFQJOLNOY-UHFFFAOYSA-N	419.238	5.225	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)o1	460398333	FWDXNYKTQRZWHJ-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
C[C@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1	460859517	DHGDUVVHHKZHJU-SBUREZEXSA-N	404.897	5.404	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1	462175738	MAETWMQLJGPFPP-AWEZNQCLSA-N	407.392	5.072	30	20	HKED	
N#CCCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1	463254848	AMTZVDPHLRZRDJ-INIZCTEOSA-N	423.460	5.035	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1	463562690	HYSWNTZKOOIOLB-RHDGDCLCSA-N	412.331	5.318	30	20	HKED	
CC(C)(C)[C@H](C#N)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	464711178	OHQGIEPVZGWSSJ-INIZCTEOSA-N	403.891	5.067	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC(=O)Nc1c(Cl)cccc1Cl	464822509	MXKSBSANOITXJB-APWZRJJASA-N	402.325	5.094	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1ccc(Br)s1	464933153	FWVZQVVIURUSED-ZWKOTPCHSA-N	417.372	5.132	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1	466630669	IYZTZXIEXNOUPV-LBPRGKRZSA-N	413.890	5.281	30	20	HKED	
COc1ccc2oc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c(C)c2c1	469135072	WFUOQIAHBPUJFS-KRWDZBQOSA-N	417.509	5.506	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)n1	474446581	OLMXTQPBGHRAIR-GFCCVEGCSA-N	405.310	5.249	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(COc3ccccc3C#N)c2)n1	474448509	SMECCMIDYWRVGK-IBGZPJMESA-N	401.491	5.207	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C[C@H](CC#N)c3ccccc3)s2)cc1	475781890	PELSVEOJJUQGFA-UTKZUKDTSA-N	403.551	5.692	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(F)c(F)c1	483277268	CUXULOOJPYJMGP-NHCUHLMSSA-N	414.500	5.270	30	20	HKED	
C=CCn1c(S[C@H](c2ccccc2)c2ccc(F)c(F)c2)nnc1-c1cnccn1	488894091	TZHZRBMFWTYNGP-HXUWFJFHSA-N	421.476	5.081	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	489522398	QQQDEORPKSWBKL-FXAWDEMLSA-N	418.006	5.010	30	20	HKED	
COCc1ccsc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	496517350	NDGOPDSQBUGBME-ZDUSSCGKSA-N	423.346	5.815	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	501015577	BNTKFVYEVLLVKW-OALUTQOASA-N	410.395	5.507	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1(c2ccc(F)cc2Cl)CC1	501084018	DOAGIZTUABXTHT-UHFFFAOYSA-N	418.944	5.076	30	20	HKED	
C=CCN(CC=C)C(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12	501552669	QHCZIWXQSHGGBT-CQSZACIVSA-N	413.543	5.179	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cccc(COC3CCCCC3)c2)c1	502656271	VECHYDOOKLSRDJ-UHFFFAOYSA-N	407.514	5.862	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1	505686286	NBPSZGRRMNGVBO-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)n1	506001988	LGUUEFWODIPAOW-OAHLLOKOSA-N	422.554	5.759	30	20	HKED	
C[C@H](Cc1cccc(O)c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	506279168	JFFYXCDFOVBBHA-OPAMFIHVSA-N	419.912	5.454	30	20	HKED	
CN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCSc2ccc(Br)cc21	510020101	JWYRGMAUFJKNJR-KRWDZBQOSA-N	416.344	5.216	30	20	HKED	
N#Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)sc2c1CCCC2	512145401	IMDBIRRFZALXCQ-UHFFFAOYSA-N	419.481	5.142	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1	514120274	HJSPPKMCKJEQSH-QPPBQGQZSA-N	408.517	5.380	30	20	HKED	
CCc1nc2ccccc2c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1C	515171504	FEWDPQMEFQWSJY-UHFFFAOYSA-N	422.488	5.725	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccccc1	518261071	AJKCEKZJKYOPSW-VABKMULXSA-N	400.526	5.051	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	521957460	JJDVXUNTYIBJKI-UHFFFAOYSA-N	419.868	5.409	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl	522777706	STQSLCWCXWJBNX-STQMWFEESA-N	408.354	6.270	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C	523219824	QKVPTLSQSDARTG-DEOSSOPVSA-N	410.521	5.061	30	20	HKED	
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1	524198983	GJZONMBNVRGKHU-WAIKUNEKSA-N	404.539	5.057	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)c2)cc1	525561620	NPFNHCQXFPTBFB-GMAHTHKFSA-N	418.443	5.352	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(Br)cc3)o2)nnc1C1CC1	525623059	YUYRVWXXFRKFCK-UHFFFAOYSA-N	417.332	5.051	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([C@@H](O)C(F)(F)F)CC1	531731729	BEMQYCNCRQYOBU-YMTOWFKASA-N	423.319	5.420	30	20	HKED	
C=CCCOCCCCC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C	538301308	ZZOFXTQYRPDXAN-UHFFFAOYSA-N	409.505	5.389	30	20	HKED	
CSc1ccccc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	539616262	OZSHMALBQYYPBL-UHFFFAOYSA-N	402.519	5.349	30	20	HKED	
C[C@@H](Cc1nnc(NCc2cn(CCC#N)nc2-c2ccccc2)o1)CC(C)(C)C	539692596	FZNKEIZAUCRWIS-KRWDZBQOSA-N	406.534	5.074	30	20	HKED	
COc1cc2c(cc1F)CN(C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CC2	539716298	NAUXZYHBPJTIQW-UHFFFAOYSA-N	417.440	5.088	30	20	HKED	
Cc1cc(Br)cnc1NC(=O)c1ccccc1Oc1ccccc1C#N	539765854	NKYSKKVLRWCXLS-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
COc1cccc(-c2nc(CNc3ccn(-c4ccc(C#N)cc4Cl)n3)cs2)c1	542006561	JEOLBXWWHSFEMU-UHFFFAOYSA-N	421.913	5.142	30	20	HKED	
O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1	542913418	KVBCVLGRNIDESB-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(-c2cccc(C#N)c2)cc1	543876025	UJCPDJLPNGFFNV-HNNXBMFYSA-N	424.331	5.821	30	20	HKED	
C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	544615890	PHWXLSHYEGQDFC-KKSFZXQISA-N	416.456	5.500	30	20	HKED	
Cc1cc(Sc2ncccn2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C	550420436	VIJFZQOPXCPQSD-UHFFFAOYSA-N	416.531	5.583	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1	557052857	NTJPTUSJLLUYHI-UHFFFAOYSA-N	410.798	5.331	30	20	HKED	
N#Cc1ccc(N2CCC(Nc3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1	560551260	XRFMGSNAQJJTII-UHFFFAOYSA-N	402.542	5.158	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cncn1Cc1ccccc1	564381328	QXDBHQHYSQGSNK-UHFFFAOYSA-N	422.488	5.085	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)N[C@H](C)c1cccc(C#N)c1	589368328	LUYPAURKTBFEOX-GFCCVEGCSA-N	404.333	5.315	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2nc3ccccc3n2C(F)F)ccc1OC	589842339	NORHAYWNQPGWIF-HNNXBMFYSA-N	401.457	5.246	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1ccc(C#N)cc1	603501140	VREVDRZRTBBYFJ-UHFFFAOYSA-N	421.522	5.261	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1C(C)(C)C	603962113	DUGMNYPQXYCNQA-LJQANCHMSA-N	406.917	5.508	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1C(F)(F)F	604419162	YMYMQRLMBSXHLU-KRWDZBQOSA-N	410.439	6.007	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H]2CSc3ccccc32)cc1OCC	605166123	RWLCKLAYLOISSB-QGZVFWFLSA-N	420.372	5.349	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1	605203789	MNRBCWLLYPZPJT-UHFFFAOYSA-N	407.474	5.077	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	607305804	ROQJCGBPSYSAGR-RYUDHWBXSA-N	407.285	5.485	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)c1	609083025	LUEMWHCTESNHBO-FQEVSTJZSA-N	407.420	5.682	30	20	HKED	
Cc1cc(NC(=O)CNc2ccccc2S[C@H](C)CC#N)ccc1Br	609431691	AOSYONJYGMPETH-CQSZACIVSA-N	418.360	5.202	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccncc3)c2)cc1	609641053	KDZFJACFZCLQFY-SANMLTNESA-N	419.484	5.052	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	609712340	AZAGEWOFCJJKDS-OALUTQOASA-N	422.598	5.428	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1	609722502	HRECEBRSCRFMPE-UHFFFAOYSA-N	402.759	5.674	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1	609929743	LNNORMKXFPCZFI-HOTGVXAUSA-N	401.963	5.687	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F	613401619	GWMRIUHNVLYFDN-QGZVFWFLSA-N	403.388	5.714	30	20	HKED	
CCCc1c(NC(=O)N2CCc3ccccc3[C@@H]2CC)cnn1-c1cccc(C#N)c1	615271610	ORRHPRUJXQMPNV-QHCPKHFHSA-N	413.525	5.238	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CC1	618850220	WGSGWSRWVSSCSJ-LHSJRXKWSA-N	413.443	5.500	30	20	HKED	
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1C(C)(C)C	619804218	CIMQITJAKCOVOW-UHFFFAOYSA-N	412.965	5.105	30	20	HKED	
C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccccc1	637751582	CBLGPWUGCMFNKO-IBGZPJMESA-N	410.518	5.026	30	20	HKED	
C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)cc2F)[n+]2ccccc2CC)c1	726572394	BSXKFXCXKICDFN-UHFFFAOYSA-O	421.492	5.119	30	20	HKED	
O=C1/C(=C/c2cnc(N3CCCC3)nc2)CCc2nc(-c3ccc(Cl)cc3)sc21	728438587	ICMZKVBCYVKJDM-LFIBNONCSA-N	422.941	5.066	30	20	HKED	
C[C@H](NC(=S)Nc1ccccc1C#N)c1ccc(OCc2ccc(F)cc2)cc1	728450459	YYTXOTXRGSOENI-INIZCTEOSA-N	405.498	5.324	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	728700721	UXOHZDSCMNAJQK-QIENPNARSA-N	404.447	5.510	30	20	HKED	
CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	730416519	DXXOPKUFMICSJB-KRWDZBQOSA-N	410.470	5.064	30	20	HKED	
CSc1ccc2cc(CNc3ccccc3SC[C@@H](C)C#N)c(Cl)nc2c1	731027863	ASEIDXSJWKJXRU-AWEZNQCLSA-N	413.999	6.474	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	731280525	NCMKQCOPMAXSDV-FNZWTVRRSA-N	409.533	6.175	30	20	HKED	
CC(C)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)Cc1ccc(Cl)cc1Cl	732644673	ZTQOLBBXMQHXIZ-GOSISDBHSA-N	419.352	5.069	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1cc(C(F)(F)F)ccc1F)C(=O)c1ccccc1	733207488	ZCUJOLTVZUYPGX-LDADJPATSA-N	414.358	5.145	30	20	HKED	
C[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(OCC#N)cc1	733328218	LSKVJJHAAHNTLF-CQSZACIVSA-N	417.456	5.582	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCc1ccc(OCC#N)cc1	733468583	OYBOSMIEBBFIBJ-UHFFFAOYSA-N	404.900	5.093	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnc(-c3ccc(C)cc3C)s2)c1	733774865	MMSPOEITEFSRGT-SFHVURJKSA-N	405.523	5.038	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2cccc(Cl)c2Cl)c1	733806125	HHARNHLAKTXVEZ-MRXNPFEDSA-N	406.313	5.016	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]3c3ccc(F)cc3)c2)s1	740058744	AYLWGEZANOTICB-OAQYLSRUSA-N	405.498	5.473	30	20	HKED	
CCOc1c(OC)cc(/C=C\C(=O)c2ccc(-c3ccccc3OC)cc2)cc1OC	741469736	MKMOVDVGBVBPTM-GDNBJRDFSA-N	418.489	5.674	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cc3ccccc3oc2=O)c1	741969841	NINCSSHDWWNFOZ-UHFFFAOYSA-N	414.848	5.165	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1	744027930	DZLIZEWQWQQOOS-UZLBHIALSA-N	402.425	5.069	30	20	HKED	
Fc1ccc(C(CCSc2ccccn2)=NNc2c(F)c(F)nc(F)c2F)cc1	746682246	LPAXNDWNQUVHQS-UHFFFAOYSA-N	424.398	5.171	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1C#N	752293899	AZZRPCCPKDIPET-LJQANCHMSA-N	412.877	5.149	30	20	HKED	
CCOC(=O)Nc1ccc(NCc2c(-c3ccccc3)nc3ccccn23)cc1C#N	752798796	HHTZAHSEIHWFNE-UHFFFAOYSA-N	411.465	5.053	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@H](C#N)c1ccc2ccccc2n1	756520329	XGHUFNOTCXFTPH-GOSISDBHSA-N	401.466	5.001	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccncc1	761704893	QDUAYJTXSLIFNT-HXUWFJFHSA-N	403.869	5.446	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(Br)c(F)c2)S1	763103604	YKWRTCWUEJVKMI-OQLLNIDSSA-N	405.292	5.097	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CC2	763945537	SURSJHPOEPDRSX-PKOBYXMFSA-N	408.910	5.378	30	20	HKED	
C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc(C)cc1	768402171	HYBSAYSVLWPYDJ-UHFFFAOYSA-N	410.930	5.288	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)c2ccccc21	769545089	RWLSCCICXOROPO-UHFFFAOYSA-N	421.403	5.235	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(F)c([N+](=O)[O-])c1	769822564	PQISCNFFLOXHQE-UHFFFAOYSA-N	401.829	5.142	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](c3ccccc3)c3nccs3)cc2)nc1	770186214	NTOZTWWNCRGUTC-NRFANRHFSA-N	413.458	5.148	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(C)ccc2OC(F)F)ccc1OC	772978459	FJTIZXHJECXUKW-WBVHZDCISA-N	404.457	5.137	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](Cc2cccc(OC)c2)c2ccccc2)c1	772983444	IIMNNVKNKMFUKN-JYFHCDHNSA-N	400.522	5.450	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)ccc1OC	774447262	GBVSTBOSLCURHC-UGKGYDQZSA-N	418.459	5.636	30	20	HKED	
COc1cc([C@H](C)NCc2cc(Cl)ccc2OCC#N)ccc1OCC(C)C	775153223	OOVSPWMVSVNXIY-INIZCTEOSA-N	402.922	5.137	30	20	HKED	
CON(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	775599812	YRZYAHVVGMREBJ-UHFFFAOYSA-N	401.466	5.041	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1	777639917	NYQAAVAAPYWPAL-NRFANRHFSA-N	410.473	5.176	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c3ccccc3n2)cc1	780169349	JEYFFPTWVVXIDP-KRWDZBQOSA-N	423.472	5.454	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	784628416	ZVNQHKGESPJMGI-DEOSSOPVSA-N	406.482	5.098	30	20	HKED	
C[C@H](c1ccccn1)N(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(N(C)C)cc1	796906726	SOICDNBRNSQPPI-IFMALSPDSA-N	412.537	5.329	30	20	HKED	
C[C@@H]1[C@H](C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)[C@@H]1c1ccccc1	797548878	RFMJKHAXRFAWMZ-IAUHIMIASA-N	410.473	5.176	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(C2OCCO2)c1)c1ccc(C(F)(F)F)cc1	808860968	QSRGKQLZRZFSSV-IBGZPJMESA-N	420.431	5.580	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	810821291	HKLQYQBXDYUFBR-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
Cc1cccc(-n2c(SCC(=O)[C@H](C#N)c3nc(C)cs3)nc3ccccc32)c1	913534545	YPXKLFDZZGKDSZ-KRWDZBQOSA-N	418.547	5.067	30	20	HKED	
N#C[C@@H](C(=O)CSc1cccc2cccc(Cl)c12)c1ccc2ccccc2n1	916849213	RHEZVWNUJUSKKD-QGZVFWFLSA-N	402.906	6.010	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(COc2ccccc2)cc1	916936644	RMTMYJGYODXIGT-LJQANCHMSA-N	422.843	5.019	30	20	HKED	
N#C[C@@H](C(=O)CN(Cc1cccs1)Cc1cccs1)c1nc2ccccc2s1	917062594	FNLPWZFPECIJFA-KRWDZBQOSA-N	423.588	5.298	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F	918556044	VEPVHIRGXWWDIN-LIRRHRJNSA-N	413.424	5.011	30	20	HKED	
CC(=NOCc1csc(Cc2ccccc2)n1)c1ccc(NC(=O)C2CC2)cc1	918733801	USMROIFMEUQCAW-UHFFFAOYSA-N	405.523	5.023	30	20	HKED	
COc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1-c1ccccc1Cl	921255406	QSQTUGFVJBEJHE-UHFFFAOYSA-N	413.717	5.085	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1	1785840734	AQSGPZHKDAKAGI-UHFFFAOYSA-N	421.541	5.292	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccccc34)CCC2)cc1	1791249237	NPLIAHKFTVHMCV-GOSISDBHSA-N	415.537	5.057	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4occc4c3)CC2)C1	1805457137	TYFKTBDGQZSBRX-UHFFFAOYSA-N	420.553	5.046	30	20	HKED	
C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1	1831859760	JMEZCTVANNBKDX-VWLOTQADSA-N	416.565	5.163	30	20	HKED	
C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(F)cc1	9594281	LWJHQIGJBCRJTD-UHFFFAOYSA-N	403.482	5.398	30	20	HKED	
Cc1occc1-c1nnc(SCc2ccc(C#N)cc2F)n1Cc1ccccc1	11385169	KIEPGHGKQBDWJA-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
CCc1ccc(OCc2nnc(SCc3cccc(C#N)c3)n2CC(C)C)cc1	11478116	MSKMATROGJANHR-UHFFFAOYSA-N	406.555	5.239	30	20	HKED	
C=CCn1c(SC[C@@H]2CCCO2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	11597784	OZZTUSQLAALCNN-INIZCTEOSA-N	416.543	5.030	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2ccccc2s1	41502938	YCIRLDHQGPZHRK-HNNXBMFYSA-N	403.488	5.100	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl	47565602	MUQKYDXSQRXHIA-JTHBVZDNSA-N	416.912	5.759	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	71987644	XFHCAYDNTQFEGY-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	109226603	MVGWYCHWPIPCJJ-KRWDZBQOSA-N	401.466	5.188	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(OC)cc1)C(=O)c1ccccc1	213678147	ICPDIFXXLNYJRA-MOHJPFBDSA-N	413.517	5.725	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1	303624864	XNVCINSLNVYIPZ-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
C=CCCc1ccccc1NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C	410347111	YUABIMPJOVPUDH-UHFFFAOYSA-N	406.555	5.042	30	20	HKED	
CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](CCCC#N)c1ccccc1	431304312	FYBAEYQVJYVVOU-ZEQRLZLVSA-N	418.585	5.021	30	20	HKED	
N#Cc1ccc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c(C(F)(F)F)c1	431596570	PEWDXMBMFLTLBU-UHFFFAOYSA-N	414.474	5.167	30	20	HKED	
Cc1ccc(Oc2ccccc2CNCc2cn(CCC#N)nc2-c2ccncc2)cc1	433322220	XGPZOUDMDNDIGV-UHFFFAOYSA-N	423.520	5.249	30	20	HKED	
CCC(C)(C)OCc1ccccc1NCc1cn(CCC#N)nc1-c1ccncc1	434982597	MHBKJCHTYYTMIH-UHFFFAOYSA-N	403.530	5.176	30	20	HKED	
FC(F)Oc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	436404495	FFIHEVVBPWBQLT-HNNXBMFYSA-N	413.308	6.090	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4c(F)ccc(F)c4C3)cc2)c1	438655595	MQMRGAXQAMOEOC-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
CCCc1c(NC(=O)CCc2c[nH]c3cc(C)ccc23)cnn1-c1cccc(C#N)c1	440096248	LDFGECYYCIIGCO-UHFFFAOYSA-N	411.509	5.058	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)N[C@H](CCC#N)c2ccccc2)cc1	440260196	YHXSDNMZYCHYJF-RUZDIDTESA-N	413.521	5.452	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc(-c2ccco2)nc1O)c1ccc(C(F)(F)F)cc1	441550955	LNKWXSUSYDZZAK-QGZVFWFLSA-N	416.399	5.503	30	20	HKED	
N#CC1CCC(CNC(=O)N(Cc2ccccc2Br)C2CCCC2)CC1	442737729	MNBMMNGUHPVJIZ-UHFFFAOYSA-N	418.379	5.233	30	20	HKED	
C=CCn1c(SCc2cc(C)nc(-c3ccc(Cl)cc3)n2)nnc1-c1ccco1	443516418	BTBOBIRSQDDRRL-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2C)c1	446009799	IGSWGFVPTURTII-UHFFFAOYSA-N	412.489	5.125	30	20	HKED	
C[C@@H](Oc1ccccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1	447512146	OROJUDQHJBWREE-QGZVFWFLSA-N	409.445	5.606	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)C[C@H](Cc2ccccc2)c2ccccc2)CC1	460714211	OPQUYGGTHZQSBU-SANMLTNESA-N	423.560	5.014	30	20	HKED	
CN(C(=O)N[C@H](c1cc(F)ccc1F)C(F)F)[C@H]1CCCC[C@H]1C(F)(F)F	463696859	FLTVNRYQANGPBH-KWCYVHTRSA-N	400.338	5.034	30	20	HKED	
CSc1cccc([C@H](NC(=O)c2sccc2C#N)c2ccc(F)c(F)c2)c1	464118787	WMZQZGZNBDLCQN-SFHVURJKSA-N	400.475	5.139	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1C	467865768	VQPMHSKESCUPLS-HNNXBMFYSA-N	409.555	5.290	30	20	HKED	
CC[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC[C@H]1c1ccccc1	470010960	DRDMQDORDLNNOZ-QFBILLFUSA-N	405.567	5.208	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccccc2CCC(F)(F)F)c1	470542892	RGFKDQRVUKRMFT-UHFFFAOYSA-N	403.448	5.157	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccccc1	477924445	RUANESONASGIOO-QGZVFWFLSA-N	414.349	5.050	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N1CCC(F)(C#N)CC1	480271402	QJEFEPHMSKEUKQ-UHFFFAOYSA-N	412.465	5.270	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H]1c1ccccc1	480281887	GTMJQCXNZJBSAE-HXOBKFHXSA-N	410.477	5.035	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1	482984730	LVRFROMOAXZSNP-QFIPXVFZSA-N	410.901	5.349	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1)c1ccc(F)c(F)c1	483124837	VFJXLNOUOJVKLR-ACJLOTCBSA-N	404.461	5.073	30	20	HKED	
CCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)[C@H](C)c1ccc(C#N)cc1	486997561	CGGXJFOKZUOBDE-QGZVFWFLSA-N	414.534	5.490	30	20	HKED	
C=CCn1c(S[C@H](C)c2cnc(C)cn2)nc2sc(-c3ccccc3)cc2c1=O	488263868	KTBTXGNUKMUSIJ-OAHLLOKOSA-N	420.563	5.263	30	20	HKED	
C=CCn1c(SCc2cnc3c(cnn3C(C)C)c2)nnc1-c1ccc(C)cc1	489662795	RWDDYISPPURLRE-UHFFFAOYSA-N	404.543	5.057	30	20	HKED	
CCOc1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl	492084945	XIPRRHVOHVACKO-NSHDSACASA-N	419.840	5.025	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1OCCc2sccc21	494975206	JYLRAVCQTNJYPG-QRQCRPRQSA-N	419.506	5.236	30	20	HKED	
N#Cc1ccc(SCc2cccc(C(=O)N3CCCCC3)c2)cc1C(F)(F)F	499490255	IYEDTEGRYQKGFK-UHFFFAOYSA-N	404.457	5.495	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1c(Cl)cccc1Cl	499818652	ZIFJUSZUYXXCTR-IOASZLSFSA-N	413.226	5.497	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	500752485	GGMQJWRALAOUAI-SJORKVTESA-N	402.416	5.966	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)C1(c2cncc(Br)c2)CC1	503899900	FHBXVYDWJAUMFK-UHFFFAOYSA-N	424.323	5.115	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1	505641921	APFHOYWZOIBHPI-UHFFFAOYSA-N	410.832	5.333	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccccc2Cl)sc2nc(C(F)(F)F)ccc12	505658515	IDJQCVHALFSVHT-ZDUSSCGKSA-N	409.820	5.272	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1	505825420	JLVCALCTGSNBIV-OAQYLSRUSA-N	401.510	5.343	30	20	HKED	
N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Cl)c(Cl)c1	505982604	UBEWDRSEKHAWBZ-KRWDZBQOSA-N	418.255	5.101	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)c1c(C)noc1C	506655567	XXHOWBBUZXXBNX-OAHLLOKOSA-N	404.470	5.189	30	20	HKED	
COc1cc(C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	507255295	FODADWUMGFTTQW-GFCCVEGCSA-N	423.346	5.986	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)N2CCC(C)(C#N)CC2)c2cccc(Cl)c2)cc1	508247306	BXIJFERDQGUQOB-OAQYLSRUSA-N	411.933	5.163	30	20	HKED	
N#Cc1ccc(NC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1	508263583	IDMPYUQVVDVXCU-UHFFFAOYSA-N	424.382	5.473	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(SCCOC)cc1	509506343	IBZSDTCYMWOWIQ-KRWDZBQOSA-N	402.535	5.023	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	517478173	ICIZLCRNGHDYPO-OALUTQOASA-N	403.309	5.442	30	20	HKED	
N#Cc1cccc(/C=C\c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)c1	517620493	DTHJCXJLDUDPRH-RAXLEYEMSA-N	403.445	5.177	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1ccc2ccccc2n1	519509200	HRSRYQHOMQFCCJ-UHFFFAOYSA-N	422.488	5.571	30	20	HKED	
Cc1nc(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)oc1-c1ccccc1	520721375	OLIVMLMSQFZHCP-UHFFFAOYSA-N	407.473	5.016	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(Oc4cnccn4)c3)c2)cc1	523124620	ZFALSXZNRGNUHM-UHFFFAOYSA-N	407.433	5.136	30	20	HKED	
COc1cc(CSCc2ccc(C#N)cc2)ccc1OCc1cccc(C#N)c1	523938846	HNWSFQKOSPEDDE-UHFFFAOYSA-N	400.503	5.451	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(-c3ccccc3)s2)c1	523945906	XCNXQMIRTLGQIG-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@H](C)Oc2ccccc2C#N)cc1	525018701	IKDVVMTZTGKGDI-MOPGFXCFSA-N	414.505	5.221	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(C)n1[C@@H]1CCC[C@H](C)C1	534607280	PQZGITAAEZPKQY-XYJFISCASA-N	418.632	5.095	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc2)cc1	536317095	OFQUWRAYMKRMJU-JOCHJYFZSA-N	404.853	5.330	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)nn1CCC#N	540817093	HBACBKGKIUVNSP-KRWDZBQOSA-N	407.440	5.033	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	541277425	HAYXNKNRGLRYKI-UHFFFAOYSA-N	414.509	5.400	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	542952217	UUZRQHBNALGWRT-DNVCBOLYSA-N	411.575	5.570	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(CNc2ncc(Cl)c(C)c2C#N)on1	543208718	SQAKAJIUZCVTOE-UHFFFAOYSA-N	404.857	5.344	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1	543348632	AUASSMIQNTYQSF-RUZDIDTESA-N	411.505	5.030	30	20	HKED	
N#CCc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	544726298	SIUGYRZDBAGBGW-UHFFFAOYSA-N	409.449	5.126	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2Cc3cccc(Cl)c3C2)cc1Cl	554133469	XHEMKCSNMNEDBC-IBGZPJMESA-N	422.315	6.197	30	20	HKED	
C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2ccsc2)C1	555270220	YXWZRUCLNMYXED-NHCUHLMSSA-N	408.571	5.036	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(OCC(C)C)CC1	556980446	RUZONRPBPZILHB-UHFFFAOYSA-N	414.619	5.096	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnc2ccccc2c1C(F)(F)F	557603214	JIACXDXBEZFOKI-UHFFFAOYSA-N	416.447	5.250	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)c2cscc2C#N)n(-c2ccc(C)cc2)n1	559478550	IZZUFZMFMFWGOY-UHFFFAOYSA-N	414.490	5.042	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1	560601250	XZDYMOWNJWTQAK-UHFFFAOYSA-N	420.516	5.196	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1	562086874	JVVFIVMLEBXMPZ-SFHVURJKSA-N	406.313	5.040	30	20	HKED	
C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1nc(-c2ccc(Br)cc2)cs1	570322481	BRYRWTXBYNIGIH-BFUOFWGJSA-N	424.367	5.782	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(COC4CCCC4)cc3)CC2)cc1	571964294	CQFBRZOUHXKJRW-UHFFFAOYSA-N	419.525	5.093	30	20	HKED	
C=CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)c1sc(CC)nc1C	583593294	TVEODOCPAMPRSR-INIZCTEOSA-N	418.570	5.204	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	584440438	SSEDYEAPAXRKBK-MRXNPFEDSA-N	420.900	5.494	30	20	HKED	
N#CCn1c(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc2ccccc21	586868930	SKDDJUQAWHRHTG-GOSISDBHSA-N	411.427	5.203	30	20	HKED	
CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1)C1CC1	587988691	GLSBIIRGSYPWTH-SFHVURJKSA-N	409.942	5.424	30	20	HKED	
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	590257919	QFNOOHMDUMDPGA-KWOQKUFVSA-N	410.533	5.859	30	20	HKED	
COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)ccc21	592973910	KZVZHTLDRCVFML-GOSISDBHSA-N	421.497	5.143	30	20	HKED	
Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cn(C)nc2-c2ccc(C#N)cc2)c1	602757378	IILWTVPUUKBHQT-RUZDIDTESA-N	419.488	5.038	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2)c1	603992250	MPIDBNDKEHVNHC-UHFFFAOYSA-N	410.502	5.132	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)n1	604003509	KWZKQAMPQICVHK-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)cn2)c1	604087999	FBZSBHXKZVXZAW-NRFANRHFSA-N	402.429	5.254	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3csc(-c4ccccc4F)n3)cn2)c1	604440610	JKNKXBGAOOEJKD-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	608850992	IFSIUJSUZDESGS-FOIQADDNSA-N	402.416	5.098	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cs1	608938090	SFYJYZDULZHULC-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	609437000	JFEJCLXMERZFAY-PGRDOPGGSA-N	421.610	6.747	30	20	HKED	
CCCN(C(=O)Nc1cc(C#N)ccc1OC)[C@@H](C)c1ccccc1Br	610016580	BRJOFMXXPLKVNC-AWEZNQCLSA-N	416.319	5.334	30	20	HKED	
COc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)cc1	610090084	LTEBAMBTYABTQB-HJPURHCSSA-N	419.912	5.370	30	20	HKED	
CC(C)OCCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	610141279	QGPGEARNCYDZKO-UHFFFAOYSA-N	401.894	5.283	30	20	HKED	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	610404608	DHKAWSSKLGTNMN-AOYPEHQESA-N	413.496	5.139	30	20	HKED	
C=CCN(C(=O)c1cc(Br)ccc1Cl)c1nc2c(s1)CCCC2	623331678	FWFNLUAYOPKJKY-UHFFFAOYSA-N	411.752	5.271	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccc2ccccc2n1	624443401	AMJQNPTUDTUMFJ-IBGZPJMESA-N	421.485	5.034	30	20	HKED	
C=CCOc1c(Cl)cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1OC	639409709	URHWVKSVWQCKFM-QFIPXVFZSA-N	424.884	5.273	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(C(F)F)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	678921762	QOBHTBBBQVWWLC-JTQLQIEISA-N	413.236	5.199	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccccc2C)n1	727560928	YTCFIYXFEBWJPR-UHFFFAOYSA-N	424.547	5.192	30	20	HKED	
O=C1/C(=C\c2csc(-c3ccccn3)n2)CCc2nc(-c3ccc(F)cc3)sc21	727685145	BNVZAEYKAQYXMD-KAMYIIQDSA-N	419.506	5.680	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(CCc2ccccc2)C2CC2)cc1	730169383	UBBIPOMCJCNPEK-UHFFFAOYSA-N	400.453	5.337	30	20	HKED	
C[C@@H](C#N)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1	731302264	ZJVHMXVJFRNRQQ-FPTDNZKUSA-N	421.859	5.541	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1	732496519	XJVOFPUMIGJTDF-FQEVSTJZSA-N	401.491	5.107	30	20	HKED	
Cc1ccccc1[C@@H](O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	732876922	KZQIZYQCNJSXHM-GMAHTHKFSA-N	419.912	5.159	30	20	HKED	
CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	735039750	DVTYVGLBEKZPKA-OAQYLSRUSA-N	422.916	5.045	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSc1nc(C(F)(F)F)nc2ccccc12	735230730	PNVFYYAAPUBBDN-UHFFFAOYSA-N	409.820	5.497	30	20	HKED	
C/C(=C\C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	735264157	RPLNRLTYLIHGGS-CSKARUKUSA-N	419.287	5.452	30	20	HKED	
CCN(Cc1ccccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	737022651	ZVLWNZXZHBTQKC-QGZVFWFLSA-N	422.529	5.198	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	743196248	IJKAHAFWUSXFLZ-SFHVURJKSA-N	406.379	5.226	30	20	HKED	
Cc1ccc(CN(C(=O)NCc2cc(C#N)ccc2F)[C@H]2CCc3ccccc32)cc1	745890776	AGXIWAXBFOHQIV-VWLOTQADSA-N	413.496	5.405	30	20	HKED	
O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc(-c2ccncc2)cc1	745990116	KMPVFYCPNNDEFH-MDZDMXLPSA-N	421.500	5.030	30	20	HKED	
CCC[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1	747568705	XSYTWHKVENLDJH-HXUWFJFHSA-N	419.481	5.107	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1	750392067	LHKQUOZJUWOGQV-NRFANRHFSA-N	420.852	5.102	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2)ccc1OCC(F)(F)F	750897230	YIYANUDQFILSRF-WAPJZHGLSA-N	402.315	5.134	30	20	HKED	
CNc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)n1	755616216	WSQAMGYWGSSQIQ-ZDUSSCGKSA-N	403.294	5.044	30	20	HKED	
CC(C)n1ncc2cc(/C=C3/Cc4cc(Br)ccc4C3=O)c(Cl)nc21	760228920	AJVTZRGZAFVPLX-SDQBBNPISA-N	416.706	5.251	30	20	HKED	
CN(C)C(=O)Sc1cccc(COC(=O)c2cn(CCCC#N)c3ccccc23)c1	769543449	GPVBPHGMFOJTFW-UHFFFAOYSA-N	421.522	5.076	30	20	HKED	
Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)ccc1NC(=O)OC(C)(C)C	772047399	PVIOSSPGYBONHM-UHFFFAOYSA-N	407.514	5.517	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	780169352	JFVBKYFXMYOUTD-GOSISDBHSA-N	408.461	5.082	30	20	HKED	
N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(Cl)cc2-c2cccc3ccccc23)cc1	790091328	UGNYAOPOFFYGCJ-XMMPIXPASA-N	412.876	5.704	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@H](C#N)c1nc2ccccc2s1	790767883	QPMANFXKPUUAFK-INIZCTEOSA-N	421.522	5.452	30	20	HKED	
CC(C)(C)c1ncc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1	793587851	WMDDPYDDBPNWKT-UHFFFAOYSA-N	406.917	5.490	30	20	HKED	
CN1[C@H]2CC[C@H]1CC([C@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)cc1)C2	801685226	JBBLNQMPYOLKTJ-YQQAZPJKSA-N	407.370	5.348	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ccccc3Cl)n2)cc1	810549791	PYTKYVIXOWXSNW-GOSISDBHSA-N	405.910	5.534	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1	810706297	MVFRQXRGWPSTMD-JOCHJYFZSA-N	405.535	5.307	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nccc2ccccc12)c1ccc(F)c(Br)c1	813089770	HLWGEIBOAIGGGV-DYVFJYSZSA-N	411.274	5.506	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1cc(C(F)(F)F)ccn1	813215057	STQFNKVEAPEMGM-MRXNPFEDSA-N	402.347	5.309	30	20	HKED	
Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)c1C	814278071	DHFISCGJQYEEBG-XSFVSMFZSA-N	407.564	5.059	30	20	HKED	
CC(=NNc1ncccc1C)c1sc(-c2ccccc2Br)nc1C	814911302	AILSYXMAYYGCEY-UHFFFAOYSA-N	401.333	5.421	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4cccc(Cl)c34)n2)cc1	815921722	QBPYGMRGVDLHJK-INIZCTEOSA-N	416.893	5.235	30	20	HKED	
C[C@@H](Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(C)(C)O)cc1	864018355	FBAVDXDAPYZCRO-GFCCVEGCSA-N	423.372	6.377	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3ccc(Br)cc3)no2)c1C#N	904713849	OYCVZZCFIILGIQ-UHFFFAOYSA-N	413.300	5.032	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@H](C#N)c5nc(C)cs5)(C4)C2)C3)cc1	915100089	DRBZTJLHDYPQHL-NZSPENEMSA-N	406.551	5.175	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1Cl	916056653	FWQYTKWAFBLRCU-UNMCSNQZSA-N	416.864	5.236	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-]	916916633	YIVRFRZMSSVOAZ-GOSISDBHSA-N	415.449	5.007	30	20	HKED	
COc1cc(C#N)ccc1CSc1nc(O)c2c(-c3ccc(F)cc3)csc2n1	1307275578	WOXZNSZFMBFPTR-UHFFFAOYSA-N	423.494	5.376	30	20	HKED	
C=CCC[C@H](NC(=O)N(CCC)Cc1nc(O)c2sccc2n1)c1ccccc1	1319324475	JRQLDBYJKFRFDE-KRWDZBQOSA-N	410.543	5.026	30	20	HKED	
C=CCOc1ccc(CN(CCC)Cc2nc(O)c3sccc3n2)cc1Cl	1323282381	PDVSBNGMXMOWQP-UHFFFAOYSA-N	403.935	5.027	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)cc3F)cc2)CCC1	1790663146	UPKDIVKDDNCUKQ-HXUWFJFHSA-N	422.500	5.047	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1	1824141998	BZAJAGXNBHDUJJ-BJKOFHAPSA-N	412.618	5.121	30	20	HKED	
C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)CC1	1831695712	ZXLXTHSBEFWFLO-HMXCVIKNSA-N	424.576	5.034	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1	7203855	KTFQUTDMTUIYJO-AWEZNQCLSA-N	400.935	5.091	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	29892100	QANRJXQOARLRRK-GFCCVEGCSA-N	417.412	5.107	30	20	HKED	
CN(C/C(O)=N/c1nc(-c2ccco2)cs1)C[C@H]1CCCO[C@@H]1c1ccccc1	51132149	SNEXEHHZONWXGI-DYESRHJHSA-N	411.527	5.091	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccccc2SCc2cscn2)c1	55569884	OPCDMTQROGKKSY-UHFFFAOYSA-N	409.536	5.370	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	58451855	WKMUJBCWEJSPKB-INIZCTEOSA-N	416.456	5.141	30	20	HKED	
C=CCN(C(=O)c1cccc(C#N)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	61204822	KSADIXRELIMDPC-UHFFFAOYSA-N	414.317	5.821	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2OC)cc1	63390189	XABYIVFAACDHJK-UHFFFAOYSA-N	413.477	5.579	30	20	HKED	
C=CCOc1cccc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)c1	65749525	UKMMDFOXSZLJKI-UHFFFAOYSA-N	410.470	5.265	30	20	HKED	
COc1ccc([C@H](NCc2cc(C#N)cs2)c2ccccc2)cc1Br	237356725	YCKZRMVHXLMMFQ-HXUWFJFHSA-N	413.340	5.270	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3c(F)cc(C#N)cc3F)CC2)n1	302689132	BYXDBSNTRJVPEX-UHFFFAOYSA-N	411.477	5.353	30	20	HKED	
CCCCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc(C)c1C	303276944	JBDGECLICKWUGD-HNNXBMFYSA-N	416.616	5.283	30	20	HKED	
C[C@H](CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1C(F)(F)F	303889845	OSQPRBFMKJDYBZ-SNVBAGLBSA-N	421.303	5.542	30	20	HKED	
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@H]1O	328578453	LWQQLNNNIPYSNX-SPDRYPDNSA-N	412.614	5.091	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(OC)cc1	409624087	UPKJHTSOYSBZEC-AWEZNQCLSA-N	421.310	5.056	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C	428786779	ITOHDVANKDMVCT-ISKFKSNPSA-N	419.569	6.004	30	20	HKED	
CCOc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc(OCC)c1OCC	430603321	XXDQTCCZYNSHBC-HNNXBMFYSA-N	416.543	5.127	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cc1	432770362	WKUDQFTUAFTFOO-FQEVSTJZSA-N	423.944	5.176	30	20	HKED	
CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	433926329	KJSKTCIAIRHVKG-ICSRJNTNSA-N	403.486	5.028	30	20	HKED	
C=CCN(Cc1csc(-c2ccc(O)c(OC)c2)n1)Cc1ccc(Cl)s1	436789439	CPAJVZOTINJARP-UHFFFAOYSA-N	406.960	5.427	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N(CCC(F)(F)F)CC3CC3)c2)cc1	438663372	VQOPWASANYSORK-UHFFFAOYSA-N	403.404	5.547	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc3cc(OC)ccc3c2)nnc1-c1cccnc1	439268096	SZTGWYKLNFXNKT-INIZCTEOSA-N	402.523	5.541	30	20	HKED	
C=CC[C@@H](CC)NC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1	439506165	ZWHFRQYUKDSTOD-GOSISDBHSA-N	405.498	5.299	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)c1ccc(C#N)cc1	439940937	MIRROQGPEQUNLF-AWEZNQCLSA-N	411.914	5.151	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Sc1ccccn1	442402786	FXOQOWQYAOEHJD-KRWDZBQOSA-N	405.498	5.115	30	20	HKED	
Cc1cccc(O[C@@H](C)CNC(=O)c2ccccc2Sc2ccccc2C#N)c1	460561962	ACNMNNLVKYMFIA-SFHVURJKSA-N	402.519	5.215	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c(C(F)(F)F)c1	463614238	NHFOIBKHOJUDOD-UONOGXRCSA-N	406.473	6.210	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)o2)c(C)c1	464420661	NTEMZJWXIPZAOM-KRWDZBQOSA-N	414.383	5.379	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1	469105454	XOKGGLCYXUXFRZ-UHFFFAOYSA-N	409.848	5.222	30	20	HKED	
CC[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[C@H]1c1ccccc1	470002548	GQMIQFWJERRPQC-GBXCKJPGSA-N	414.505	5.386	30	20	HKED	
N#Cc1ccnc(Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)c1[N+](=O)[O-]	471058054	VNQFYHSJLDGKAB-UHFFFAOYSA-N	415.327	5.252	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(-c2ccccc2)nn1	472003037	PLSRJAVVPBCXCF-UHFFFAOYSA-N	424.435	5.223	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	472443977	YBUVBQSMMQPUSH-IRLDBZIGSA-N	414.461	5.110	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1cccc(F)c1	472764065	GYHKJNGVFRYLSH-BTYIYWSLSA-N	420.513	5.360	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3coc4c(C)cc(Br)cc34)[nH]c12	473521842	RNBRFODBDNLYOC-CQSZACIVSA-N	408.255	5.179	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccccc2C(F)(F)F)nnc1-c1ccco1	473784527	GWTURQFBQGMHEI-LBPRGKRZSA-N	407.417	5.106	30	20	HKED	
CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	475657903	ALWIMRKYIAQYNR-DEOSSOPVSA-N	415.512	5.582	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)C[C@@H](CC#N)c3ccccc3)s2)cc1	476095049	JEFQXVDCHBFGKP-SIKLNZKXSA-N	417.578	6.034	30	20	HKED	
COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)C[C@H](CC#N)c2ccccc2)c1	476628656	FVPXSTQIGPWEDU-PAUTXSKSSA-N	424.544	5.840	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-]	477527325	HBJVIWACZGALKP-CYBMUJFWSA-N	418.906	5.007	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](c1ccccn1)c1ccccc1OC)c1ccc(F)c(F)c1	477757848	XHJNJKALADXZFT-PKTZIBPZSA-N	423.463	5.074	30	20	HKED	
Cn1cc(CNCc2ccccc2Sc2ccccc2)c(-c2ccc(C#N)cc2)n1	479972204	VHWVEGZFVNXJBG-UHFFFAOYSA-N	410.546	5.400	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nccc2ccccc12	483221367	ZPPVDGANAFIYFS-QFIPXVFZSA-N	406.445	5.369	30	20	HKED	
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1c(F)cccc1F	486327134	HHKZPKCPSOXVPL-NSHDSACASA-N	414.399	5.732	30	20	HKED	
Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	487359992	ULMPWINXNLZTIC-QFIPXVFZSA-N	418.566	5.133	30	20	HKED	
COc1ccc(Nc2nc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cs2)cc1	487422757	WRDDWNKAELLPMP-IBGZPJMESA-N	406.511	5.060	30	20	HKED	
CC(C)n1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1-c1ccccc1	488210467	CKUPTHHFZFVGOC-MRXNPFEDSA-N	419.435	5.366	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	489344433	JUQPKZZIZLEMQO-UHFFFAOYSA-N	404.558	5.690	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc(Cl)s1	489616297	KEFCEMJVJGMQKT-UHFFFAOYSA-N	419.959	5.041	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ccc(Cl)c(C(F)(F)F)c1	490272538	OVYBYTJTPKQLTO-UHFFFAOYSA-N	401.665	5.491	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)cc(Br)c1F	490518454	AHEZBPUAQCCENL-WMLDXEAASA-N	420.257	5.031	30	20	HKED	
N#C[C@@H](C(=O)c1csc(C2CC2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1	492650048	ACMWEWGPUYOXKD-LBPRGKRZSA-N	420.346	5.941	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(C)C)cc2)cc1C	498521868	VIVDRTKSMKWMAE-UHFFFAOYSA-N	402.498	5.120	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1cccs1)Cc1cccs1	502619614	NXGSESLQXXNHNH-UHFFFAOYSA-N	411.552	5.703	30	20	HKED	
C=CCOc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1	504804696	GPRSDGXMWGLRBO-UHFFFAOYSA-N	423.516	5.093	30	20	HKED	
N#CCCCOc1cccc(NCc2ccc(OC(F)F)c(Br)c2)c1	507954511	XGNCYBKEQBMYGE-UHFFFAOYSA-N	411.246	5.345	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)CCc2ccco2)cc1	508237741	AEHSUIANNPVIBC-INIZCTEOSA-N	405.454	5.095	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccsc3Br)c2)c1	509428479	GGKPXCCXLCKCEB-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1	509571911	NHUUPZGCAOPSIP-UHFFFAOYSA-N	419.531	5.936	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1	510159873	ONHCOBOLEABMRG-UHFFFAOYSA-N	423.516	5.033	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1F	511301672	ANMGRQMMYAFLFS-MRXNPFEDSA-N	421.447	5.493	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(Nc3ccccc3)c2)c1	511443597	AKSYLMUPRAFBPV-UHFFFAOYSA-N	409.445	5.726	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	514152418	VERMKSGLGMHPRD-LJQANCHMSA-N	417.509	5.341	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccc2c(c1)CCC2	514558514	UMRMTPLTHKPJQY-UHFFFAOYSA-N	415.518	5.274	30	20	HKED	
C=CCN(C(=O)c1cnc2onc(C(C)C)c2c1)c1nc(-c2ccccc2)cs1	514898363	YBVZFNRMEABUAS-UHFFFAOYSA-N	404.495	5.303	30	20	HKED	
COc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	516842623	LEZDEERSKBQUCQ-KRWDZBQOSA-N	402.519	5.350	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)n(C(C)(C)C)n3)n2)cc1	517801087	XGZFQVFNUIONEG-KRWDZBQOSA-N	420.538	5.138	30	20	HKED	
CC(C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1	518375001	ZXMXVHADRLFIFP-UHFFFAOYSA-N	405.885	5.107	30	20	HKED	
Cc1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccccc1C(C)C	518739064	LYQLVXMCNGPDHM-MRXNPFEDSA-N	419.554	5.346	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCSc2c(F)cccc21	518752874	BFRAAYRMMTWOTQ-BBRMVZONSA-N	401.532	5.579	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1	519183353	ARMNCCMFYNURRO-IBGZPJMESA-N	406.486	5.214	30	20	HKED	
CC(C)N(C)Cc1ccccc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	519452274	WPTOWXJFKPGSOW-GOSISDBHSA-N	410.587	5.100	30	20	HKED	
C[C@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	520271419	LRZOJPGEBCYLGH-PXAZEXFGSA-N	414.349	5.599	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(OCC(F)(F)F)cc1	520677148	XPDAMWYASNWUGT-UHFFFAOYSA-N	414.836	5.025	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(c1ccccc1)c1ccccc1	521810655	YDSJSLIMSDRVRY-LJQANCHMSA-N	415.562	6.034	30	20	HKED	
Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	521885388	IBKGBQKNCKDADU-VBKZILBWSA-N	406.917	5.088	30	20	HKED	
C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1	522647050	SVDXMENIWDFVPC-BLVKFPJESA-N	408.354	5.248	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3csc(Nc4ccccn4)n3)c2)cc1	522875013	SMAKKZPGJILWLI-UHFFFAOYSA-N	413.462	5.198	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccccn2)cc1	523696942	SUDJFRVDLGJIIT-NRFANRHFSA-N	414.465	5.123	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl	523934086	KJNWOKVNJWNGKA-OAHLLOKOSA-N	402.325	5.194	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1sc(-c2ccccc2)nc1C	524240744	NUGIRXYVDGAPIA-UHFFFAOYSA-N	407.539	5.025	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c2)c1	524381484	FHNNGUYJMODHIE-UHFFFAOYSA-N	408.404	5.299	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1	524406516	IGWSLWNHGSXYCU-UHFFFAOYSA-N	409.489	5.796	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)c1	525655468	INOBSMVWDFIMJB-UHFFFAOYSA-N	400.906	5.532	30	20	HKED	
C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1	532106775	AGFSKADRUGFRCA-RUZDIDTESA-N	413.477	5.130	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](CC)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	533825029	QQMHNEATWMVTFL-ROUUACIJSA-N	409.452	5.768	30	20	HKED	
N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1	533965023	BPUIFUDGWIHGQZ-UHFFFAOYSA-N	412.518	5.489	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1Cl	538529376	CMOYBNYZTPPAPK-MRXNPFEDSA-N	421.928	5.162	30	20	HKED	
N#CCC[C@@H](NC1CCN(Cc2ccccc2Br)CC1)c1ccccc1	539215891	OQXSTOLMPIZFLM-JOCHJYFZSA-N	412.375	5.048	30	20	HKED	
CCC[C@@H](NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1	539243219	XGPQCJPHXDFQAF-HSZRJFAPSA-N	418.541	5.078	30	20	HKED	
Cc1cc(NC(=O)N(CCC#N)Cc2ccco2)nn1-c1ccc(Cl)c(Cl)c1	539733943	ZVUYIEIPSMGHQU-UHFFFAOYSA-N	418.284	5.028	30	20	HKED	
CCN(C(=O)CCc1cc(F)ccc1Br)[C@@H](C)c1ccc(C#N)cc1	542223477	SZVAHJWRWVUQPG-AWEZNQCLSA-N	403.295	5.002	30	20	HKED	
COCC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)c(Cl)c1	551333592	YBRIUWURAPNADX-IBGZPJMESA-N	403.309	5.056	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21	554445705	VRHRYOBKENXXAK-KHHDVDEJSA-N	405.567	5.881	30	20	HKED	
N#CCCN(C(=O)c1csc(-c2cccc3ccccc23)n1)c1ccc(F)cc1	554486146	BSVPAJYWYFWOKD-UHFFFAOYSA-N	401.466	5.663	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1	554502387	PZYPFVKHNKCYDF-GOSISDBHSA-N	422.834	5.223	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccccc1	557588469	NBMYUALQCKYWHP-GHTZIAJQSA-N	421.566	5.021	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2n[nH]cc2c1	566637573	WXWVCCILPHELDI-MRXNPFEDSA-N	412.518	5.218	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1COCc1ccccc1	583890315	APYULBXXRWFAIE-UHFFFAOYSA-N	420.509	5.099	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3c(C)noc3n2)c(C)o1	591311173	RUJYWIKWBKQCSL-UHFFFAOYSA-N	418.478	5.082	30	20	HKED	
N#C[C@@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1ccc(C(F)(F)F)cn1	591861981	GVMBDMSFBUSMHT-GFCCVEGCSA-N	409.289	5.157	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)c1	592923423	KVXSGTUBEUVWPB-UHFFFAOYSA-N	401.510	5.313	30	20	HKED	
CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3cc(C#N)ccn3)ccc21	603726873	DUGFWCOAEJTIPI-OAHLLOKOSA-N	400.507	5.200	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c4cccnc34)cn2)cc1	603763882	AMJZWFGAJCXMHI-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)[C@H](C#N)c3ccccn3)c12	606754532	WAMJXSRPSCCFFK-MRXNPFEDSA-N	422.366	5.102	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	607305795	ROQJCGBPSYSAGR-NEPJUHHUSA-N	407.285	5.485	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	608870663	NJSFSCJATLOFGR-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
Cc1cccc2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c(Cl)c12	609185275	VNJANHWYWUXQBQ-UHFFFAOYSA-N	410.926	5.418	30	20	HKED	
COc1ccccc1CCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	609208048	ZNKHMIRWRFAHDH-UHFFFAOYSA-N	401.466	5.066	30	20	HKED	
COc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609433858	NROBIKBLGOAHAZ-NRFANRHFSA-N	415.449	5.004	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccco1	609434243	JVPLNXDMACXTEJ-QFIPXVFZSA-N	418.497	5.148	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCC3(Sc4ccccc4)CC3)cn2)cc1	609468950	BFQOEFXKMAMQAC-UHFFFAOYSA-N	416.506	5.192	30	20	HKED	
Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	609810749	BHRIXWWNUSWJIB-UGKGYDQZSA-N	407.583	6.396	30	20	HKED	
C[C@H](Sc1nc(O)c2c(-c3ccc(F)cc3)csc2n1)c1ccc(C#N)cc1	609813755	NHZXMSXCBWPLEJ-LBPRGKRZSA-N	407.495	5.928	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609909720	RNPSGQVMUNNJDN-PGRDOPGGSA-N	414.480	5.702	30	20	HKED	
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	610019121	DBUKGCIOBNXHAQ-PWHSHALESA-N	407.583	6.252	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(c2cccc(F)c2)CC1	610048671	FPROAMKAPGZREL-UHFFFAOYSA-N	402.494	5.310	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1	611030785	XUBSWQNMNOJCEP-MRXNPFEDSA-N	416.321	5.075	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c(Cl)c1	611480126	PORZVLOKFDBQFE-UHFFFAOYSA-N	409.232	5.321	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc1	614999869	PJHWICBCPSZQHK-UHFFFAOYSA-N	416.443	5.072	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4c(F)cccc4c3C)n2)cc1	619756463	SZXCXVSCYBLKJC-INIZCTEOSA-N	406.438	5.503	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1OC	630067755	HNZXWOLJIQXDDT-UHFFFAOYSA-N	402.922	5.054	30	20	HKED	
CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728669168	LJJACKVKLNRLOI-UHFFFAOYSA-N	414.461	5.017	30	20	HKED	
CCCCOc1ccc(C=NOCc2nnc(-c3cccc(Cl)c3)o2)cc1OC	730098336	DPPAKESZXHBRAK-UHFFFAOYSA-N	415.877	5.128	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	730989156	HZDGJWFNIWMCFZ-JICACKBISA-N	408.523	5.164	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1	731196089	WUWKVOQCUNNBJR-MRXNPFEDSA-N	420.296	5.335	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=S)Nc3ccc(OC(F)F)cc3)cc2)c1	731318261	KGXYEIRAYRKSCP-UHFFFAOYSA-N	411.433	5.761	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	731400500	PQYQBCGJGMERAM-QGZVFWFLSA-N	418.566	5.974	30	20	HKED	
COCCOc1ccc(C(=O)/C=C\c2ccc(Oc3cccnc3)c(C)c2)cc1OC	732713878	HQIREXYQJDDXNP-TWGQIWQCSA-N	419.477	5.112	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1	733806050	WKCLXQVKGHUBIT-UNMCSNQZSA-N	411.521	5.483	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1nc(-c2ccncc2)cs1	734082339	AWYSNOUDLHGFGM-SFHVURJKSA-N	417.465	5.413	30	20	HKED	
C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc2ccccc2s1	734161576	MMQFKBZDYBBQHU-CYBMUJFWSA-N	419.535	5.098	30	20	HKED	
Fc1cccc(F)c1-c1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)o1	734363706	NVFBASOOVWGMRL-UHFFFAOYSA-N	416.840	5.308	30	20	HKED	
Cc1ccc(C(=O)N(C)c2ccc(OCc3cc(Cl)ccc3OCC#N)cc2)cc1	735230452	LPDVGNVRVVSRSS-UHFFFAOYSA-N	420.896	5.406	30	20	HKED	
CC(C)OCc1c(C(=O)OCc2cc(Cl)ccc2OCC#N)oc2ccccc12	735335816	CIXOOJBXMDKWRS-UHFFFAOYSA-N	413.857	5.271	30	20	HKED	
COCc1cccc(/C=C2/CN(C(C)(C)C)C/C(=C\c3cccc(COC)c3)C2=O)c1	742433009	LQSVUXRICUKYRC-WJVNUPORSA-N	419.565	5.130	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	742985780	ZBSANNZEVZIGLE-LJQANCHMSA-N	407.926	5.813	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccccc3CC(F)(F)F)c2)s1	743210707	PSHKKXUOFFFKPI-UHFFFAOYSA-N	415.440	5.713	30	20	HKED	
CCCCCCCOc1ccc(C=Nn2c(S)nnc2[C@H]2CCCCO2)cc1	743452386	QBGGJDWFRDKGMW-LJQANCHMSA-N	402.564	5.040	30	20	HKED	
N#C[C@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	744026021	RGHYGUNYUXULCU-NZQKXSOJSA-N	416.908	5.404	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccc2ccccc2n1	744936612	UVYRODUNJKNDSN-BWKNWUBXSA-N	412.876	5.885	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](c2ccccc2)c2ccncc2)o1	744955776	MDAHKQFVPBYPAF-DEOSSOPVSA-N	410.429	5.072	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CC(OCc4ccccc4)C3)n2)cc1	747109446	RQBOMIFHDCNSRB-CBNMVNINSA-N	402.519	5.290	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n1	747196879	DVASKAUWMSUEHH-AWEZNQCLSA-N	401.438	5.009	30	20	HKED	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	748943651	XGAWEJCGIVIEQK-DQEYMECFSA-N	413.521	5.238	30	20	HKED	
Cc1ccc(CCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	751151182	HCXKMLAYQNNWBV-HXUWFJFHSA-N	418.518	5.519	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](c3ccccc3)[C@H]2C)c1=S	751603216	AGZVPGFOJBHPMR-QUCCMNQESA-N	420.582	5.111	30	20	HKED	
COc1ccc(C)cc1CSCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	759055200	KMRPOXGTLHKRLU-GOSISDBHSA-N	408.548	5.237	30	20	HKED	
COc1ccc(COCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	760351669	RLWKIKAUSMQVRS-VWLOTQADSA-N	414.505	5.286	30	20	HKED	
COc1ccc(/C=C2/N=C(SCC3(C#N)CC3)N(c3cc(C)cc(C)c3)C2=O)cc1	766782835	MOOFMPTVBMYJKF-FYJGNVAPSA-N	417.534	5.093	30	20	HKED	
O=C1/C(=C\c2cncs2)CCc2nc(-c3ccccc3Br)sc21	767728357	FYXJVNROJRFWSS-YFHOEESVSA-N	403.326	5.242	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	768004872	KDZKBAITWOVBMT-UHFFFAOYSA-N	423.900	5.257	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])ccc3Cl)o2)cc1	768461091	HSKQXVMWOJAQNL-UHFFFAOYSA-N	403.847	5.155	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CCCC1(C)C	770467625	OKCDCZJWYWOUBT-QGZVFWFLSA-N	400.910	5.521	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(SC3CCCC3)cc2)ccc1OC	772987489	XCVAYNSAKIPRPP-NQIIRXRSSA-N	424.610	6.262	30	20	HKED	
N#C[C@@H](C(=O)C1CCC(C(F)(F)F)CC1)c1nc2cc(C(F)(F)F)ccc2s1	774053210	IOMBLVFYEXTOMR-CBINBANVSA-N	420.378	5.860	30	20	HKED	
COc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1OCc1cn2ccccc2n1	777647776	MJEBECNGLLRFBC-INIZCTEOSA-N	416.456	5.106	30	20	HKED	
N#Cc1cc(N[C@@H](c2ccccc2)c2ccc(Cl)cc2)ccc1N1CCC(O)CC1	779160849	ZYIMAADXGNXOKZ-VWLOTQADSA-N	417.940	5.374	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=O)Nc1ccccc1O[C@@H](C)C#N	780670087	JCOKMBVRCAFDJN-HNNXBMFYSA-N	416.319	5.184	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1COCc1ccccc1	780672148	ZPGACOGAPPLWJA-IBGZPJMESA-N	415.493	5.016	30	20	HKED	
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc(N2CCCC2)cc1	782233782	GFZGGGALCBJPBI-CQSZACIVSA-N	419.472	5.297	30	20	HKED	
C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	782524754	UJFSIMMDSOMUHJ-FQEVSTJZSA-N	409.533	5.312	30	20	HKED	
Cc1cnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1	783013952	QMKNWLHANLLGOV-ZDUSSCGKSA-N	417.275	5.216	30	20	HKED	
Cc1cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)oc2cc1C	783077734	XTEYTTHUBSNCHU-CQSZACIVSA-N	401.249	5.318	30	20	HKED	
C=C[C@H](CC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1	787666486	VWSNZKNEXCPVFF-JOCHJYFZSA-N	411.545	5.524	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C	789457463	TTZJAHGMBGZQAQ-UHFFFAOYSA-N	417.594	5.553	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F	789891602	ZVFFRESEQAXWSA-IBGZPJMESA-N	412.477	5.082	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(Br)c(Cl)c1	790144056	CJSWRZKXRHUOHG-UHFFFAOYSA-N	406.132	5.041	30	20	HKED	
CCCCCCOc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1OC	792102077	VUBJXYNOMOUOFF-GOSISDBHSA-N	403.482	5.088	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNCC2(c3ccc(Br)s3)CCC2)cc1	796450564	OPYPFKLXXFDKJQ-AWEZNQCLSA-N	405.361	5.013	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(O)c1	797616522	ZPVQQDOFXCTZDG-FQEVSTJZSA-N	421.884	5.031	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	798489232	ZLYZTVLHRDLYRB-MEDUHNTESA-N	416.321	5.089	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)NCC4CCC(C#N)CC4)cc3C2)cc1	799409147	OBWYCKZSFZORTB-UHFFFAOYSA-N	416.569	5.782	30	20	HKED	
CC[C@](C)(C#N)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	803783186	UUZQQBJMEJUUBX-NPMXOYFQSA-N	421.522	5.082	30	20	HKED	
Cc1nc([C@H](C)OC(=O)c2cc(C#N)ccc2Cl)oc1-c1ccc(Cl)cc1	803834914	XBETWAPGNZTWHX-LBPRGKRZSA-N	401.249	5.747	30	20	HKED	
CCCCOc1ccc(C=NO[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC	818613067	DBEYEZCERIMGTP-IBGZPJMESA-N	412.530	5.177	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915200009	RBRMOCDGYIQMNI-XMMPIXPASA-N	406.489	5.397	30	20	HKED	
Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3c(F)cccc3Cl)cc2)cc1	916313315	GXTMZJJFZZKFLF-UHFFFAOYSA-N	402.878	5.066	30	20	HKED	
Cc1ccc(C)c(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	916628221	NRSHMPVVFFSOOL-IBGZPJMESA-N	422.937	5.920	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl	916905298	BYKKMVIBKFRKJT-MRXNPFEDSA-N	424.953	5.949	30	20	HKED	
Oc1nc2ccccc2cc1/C=N\C1CCN(Cc2cccc(C(F)(F)F)c2)CC1	917557252	COQXABVLGSVBOH-VYYCAZPPSA-N	413.443	5.043	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCCC(C)C	920101523	CIMMGBCFCVSBFF-IBGZPJMESA-N	418.493	5.115	30	20	HKED	
CC(=NOCc1csc(-c2cccs2)n1)c1nc2ccccc2n1C(F)F	920400216	FXHCISRLGZPNSO-UHFFFAOYSA-N	404.467	5.557	30	20	HKED	
CCC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H](C)CC#N)CC1	1513636677	CGWWYFQFPHGZPE-HOTGVXAUSA-N	401.942	5.000	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4oc5ccccc5c4C)CCC3)cc2)C1	1785807697	MIXWHCQCYLBWOA-UHFFFAOYSA-N	414.505	5.455	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1	1786102260	BJEMNXGMSOKULH-UHFFFAOYSA-N	406.526	5.115	30	20	HKED	
CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1	1787616382	HEJJJHUBUGHTMW-NRFANRHFSA-N	402.604	5.045	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCSCC3)CCC2)cc1	1789455101	JQQBZNKUDVFJQJ-OAQYLSRUSA-N	412.599	5.032	30	20	HKED	
N#Cc1ccccc1CSc1nnc(COc2ccccc2F)n1-c1ccccc1	5231048	BEMVRAJNRRGAIP-UHFFFAOYSA-N	416.481	5.149	30	20	HKED	
C[C@@H](C#N)Sc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1	6003548	XPRYEFSRIRKHKJ-ZDUSSCGKSA-N	418.360	5.054	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)c1	10174786	QXECJOXEPLVLEV-UHFFFAOYSA-O	401.555	5.076	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cccc(C)c1	11268287	HHZVULVZDMPULL-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1	26175905	RZCPFAPWSXTMIK-MRXNPFEDSA-N	418.518	5.218	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@@H]4C[C@@H]4C)c3)n2)cc1	41511172	PXXILVJOMGHLNH-CWFSZBLJSA-N	415.518	5.203	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccccc2)cs1	51534895	JWSOYPOTHXEFGW-SFHVURJKSA-N	413.458	5.145	30	20	HKED	
C=CCN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1	60299849	YYKXHAPEGTUCAT-UHFFFAOYSA-N	401.491	5.348	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCC2CCCCC2)cc1)c1nc(-c2ccncc2)cs1	195662780	FHFQSRURVRRTTR-NRFANRHFSA-N	417.534	5.654	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1	237726603	RPCMZPKPTLIFJE-UHFFFAOYSA-N	409.921	5.062	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)c1	429787685	OTRRGQKWBAGEDR-QFIPXVFZSA-N	400.503	5.223	30	20	HKED	
Cc1cc(NC(=O)c2cccc(SCC#N)c2)n(-c2cccc(C(F)(F)F)c2)n1	429958928	BVNJKICKDBOYKA-UHFFFAOYSA-N	416.428	5.068	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1	430908036	UGNIIDQRXSMQRM-QHCPKHFHSA-N	419.525	5.397	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)nc2ccccc21	431022099	MHDLIWZZJYBGPO-LJQANCHMSA-N	418.566	5.253	30	20	HKED	
CCC(CC)n1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	432641203	DHNQPNHGEKULRB-UHFFFAOYSA-N	404.489	5.098	30	20	HKED	
C[C@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	436420392	FFGAMRNEHADSEI-LDYMZIIASA-N	410.280	5.197	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ncc(-c2ccccc2)o1	438634048	PCWGWTGFPYXSCI-GFCCVEGCSA-N	400.360	5.115	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CCC#N)c1ccccc1	439668808	BWBMVYZBZIAUDD-KXBFYZLASA-N	409.942	5.530	30	20	HKED	
CCCc1c(NC(=O)c2ccc(Oc3ccccc3)o2)cnn1-c1cccc(C#N)c1	440093951	CWVRBGVDHRROMC-UHFFFAOYSA-N	412.449	5.334	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@@H](CN(C)CCC)C1)c1ccc(C(F)(F)F)cc1	441534002	OMROGWBJFOXPSZ-FXAWDEMLSA-N	411.512	5.086	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)c(F)c1	444331056	UPBPVDHUCWUGFF-JOCHJYFZSA-N	404.416	5.007	30	20	HKED	
COc1ccc(CN2CCn3c(cc4c(Cl)cccc43)C2)cc1OCCCC#N	447054986	CPVRYVDRCCXNLI-UHFFFAOYSA-N	409.917	5.002	30	20	HKED	
Cc1nc(SCC(=O)Nc2cccc(CSC(C)C)c2C)c(C#N)c(C)c1C	460241362	HGFTWMXGGMNBNR-UHFFFAOYSA-N	413.612	5.559	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1OC	461304403	FLVQJYNLFJVXSS-UHFFFAOYSA-N	404.466	5.316	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1cccc(C#N)c1	463588414	VRRIUOQUCZEWPW-ZDUSSCGKSA-N	412.276	5.795	30	20	HKED	
C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	468117000	LGHMSTVSZSSQHC-NRFANRHFSA-N	404.869	5.281	30	20	HKED	
Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	470252419	QECLNTAXQVIRQS-LOSJGSFVSA-N	412.489	5.309	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	470827193	LZFLDYKSXXEWNB-CYBMUJFWSA-N	418.349	5.835	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)c1	470886282	OFCJSJUHHGFHLG-CJFMBICVSA-N	423.516	5.005	30	20	HKED	
Cc1c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)oc2ccc(F)cc12	471132068	GLFUGZTVCAFAEW-GFCCVEGCSA-N	404.488	5.075	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1	473355873	IMEBTQHBZADJQA-UHFFFAOYSA-N	416.428	5.331	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1	475544249	AAQWVRGCIUXXMA-HNNXBMFYSA-N	408.477	5.610	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	475570433	JAUSLGDVLQKFQI-HXUWFJFHSA-N	421.589	5.268	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1	476930499	SDRIUTTVPCWQRP-GOSISDBHSA-N	424.545	5.458	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCCc2cccnc21	480543731	XMKCWBZCSNMMFP-FXAWDEMLSA-N	408.571	5.655	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1cccc(OC)c1	481401023	NZIRXWSMCRSKLU-UHFFFAOYSA-N	424.551	5.457	30	20	HKED	
C=C(C)[C@@H](NCc1csc(-c2cccc(C(=O)OC)c2)n1)c1ccc(F)c(F)c1	481580496	KTGDAONROBMKRJ-HXUWFJFHSA-N	414.477	5.282	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](CN4CCCCCC4)C3)c2)cc1	487952605	SSVQLEHVOBCELD-JOCHJYFZSA-N	417.553	5.079	30	20	HKED	
CCSc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	488253110	RCFRHQZARCFTMR-UHFFFAOYSA-N	402.519	5.696	30	20	HKED	
COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	488332214	NFAOGRIYADASAB-KXBFYZLASA-N	417.962	5.586	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1ccccc1	488719140	YVVOOCPWYRIDST-FQEVSTJZSA-N	406.526	5.147	30	20	HKED	
C=CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1-c1ccccn1	488892762	DLBISOZYCKQEKR-UHFFFAOYSA-N	424.533	5.133	30	20	HKED	
C=C(C)Cn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1-c1ccncc1	489398817	GQVQSSRVWOSGHH-UHFFFAOYSA-N	409.540	5.233	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3c(F)cc(F)cc3F)o2)cc1	489753410	HLVWAZOTMBVWNG-LLVKDONJSA-N	420.412	5.082	30	20	HKED	
CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1	497899709	PTOAKXLPYGGGII-DEOSSOPVSA-N	403.913	5.177	30	20	HKED	
CCN(C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)[C@@H](C)c1ccc(C#N)cc1	498326861	XQIMKEDCYPKBCC-INIZCTEOSA-N	421.932	5.139	30	20	HKED	
CN(C)CCCN(CCC#N)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	499330518	UHYGPUXVZZDZOS-UHFFFAOYSA-N	410.370	5.029	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1CC(C)C	499557782	HEUIOIQAWIRUTI-UHFFFAOYSA-N	421.476	5.081	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3nc4ccccc4o3)c2)cc1	501420396	LQTLINIAAZQNLH-UHFFFAOYSA-N	411.461	5.044	30	20	HKED	
COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	501632949	UIECTODVKGEVQW-OAHLLOKOSA-N	406.482	5.348	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	501760191	RYHWIKRYTAPALU-NRFANRHFSA-N	407.876	5.798	30	20	HKED	
CCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1OC	505307283	CYSXKYNTTRQINE-AWEZNQCLSA-N	413.688	5.049	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1	509339741	DFFUIKHHWCLSTO-IBGZPJMESA-N	408.395	5.056	30	20	HKED	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	511400668	VKMJIWKZKUBLSU-HFZDXXHNSA-N	417.553	5.764	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)NCC(C)(C)CCC#N)c1	513119526	ZPJBGXZDMFVGSO-DHIUTWEWSA-N	405.542	5.265	30	20	HKED	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	513782412	FHARTUDRSDPTKZ-NSHDSACASA-N	411.449	5.448	30	20	HKED	
Cc1csc(-c2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2)n1	513973271	SDZKZNULUIRSQM-UHFFFAOYSA-N	408.552	5.045	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1	514913529	VCAMRUVCBMIPOR-QHCPKHFHSA-N	410.546	5.394	30	20	HKED	
C=CCN(C(=O)c1sccc1SC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	518073774	GXKMWDINFLQDRY-UHFFFAOYSA-N	417.537	5.335	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCOc1cccc(Cl)c1Cl	520825140	YRVHURUGVZLLCG-CYBMUJFWSA-N	409.338	5.653	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	521293502	VJVMOXVDIGALRX-OAHLLOKOSA-N	420.296	5.559	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(OC4CCCCC4)cc3)CC2)c1	522603928	FAWGSGSPSVNPOT-UHFFFAOYSA-N	419.525	5.345	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CC(c2cccc(F)c2)C1	524250014	VPJSDUXEIBRPMK-UHFFFAOYSA-N	414.480	5.717	30	20	HKED	
COc1cc(CN(C)[C@@H](C)c2sc(C)nc2C)ccc1OCc1cccc(C#N)c1	532961511	PWGVPNQXBUHBEF-KRWDZBQOSA-N	421.566	5.412	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2SCCC#N)cc1	536177996	MJSUFLNCCXXEJG-NRFANRHFSA-N	421.566	5.118	30	20	HKED	
COc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)cc1OCCCC#N	536710062	MZZDBTBGMUAIPX-FQEVSTJZSA-N	405.498	5.246	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nn1[C@H](C)C1CC1	538555904	CLFZJTRGDMCQOJ-OAHLLOKOSA-N	404.445	5.218	30	20	HKED	
C=CCOc1c(Br)cc(CN(C)[C@@H](C)c2ccncc2)cc1OCC	544600393	RLPGHAYAVRJRAN-HNNXBMFYSA-N	405.336	5.001	30	20	HKED	
C[C@@H](NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1	547451061	YRCCNNDZMOEIMN-KUHUBIRLSA-N	419.472	5.138	30	20	HKED	
CCC(CC)n1ncc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C	550154363	KGQORVZABZHQEP-DEOSSOPVSA-N	416.525	5.126	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCC(C)(C)C(F)(F)F	551299718	RFPHSFMPLGZHGN-UHFFFAOYSA-N	424.307	5.454	30	20	HKED	
Cc1ccn(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)n1	552473881	FZWLKHUMSWCQAS-UHFFFAOYSA-N	424.529	5.597	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(-c2ccsc2)s1	604118770	HPIPTGZXPPGGGK-UHFFFAOYSA-N	420.544	5.542	30	20	HKED	
Cc1[nH]c2c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cccc2c1C	604170798	FUPNHJVLXDIYQD-UHFFFAOYSA-N	419.535	5.053	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccnc1Oc1ccccc1	604500155	ZMNQAJDNDRSKBR-UHFFFAOYSA-N	400.482	5.436	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(CCC3CCCCC3)o2)c1C#N	608929791	RQHJISFYXIUOEQ-UHFFFAOYSA-N	407.543	5.241	30	20	HKED	
Cc1ccn(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)n1	609061263	XWIYGMMIIYKDPP-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
CN(C)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1	609062703	DFZJLTZQYKRSNU-UHFFFAOYSA-N	405.885	5.109	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1SCCC#N)O[C@H](C)C2	609375928	NHEZLPVKAKHKMM-AYBZRNKSSA-N	422.550	5.157	30	20	HKED	
CCCn1c(C)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cc(OC)ccc21	609376757	IVCQBQAKMUVTBU-INIZCTEOSA-N	421.566	5.872	30	20	HKED	
COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)cc1	609433827	LEFSLDDBGYEKQO-HXUWFJFHSA-N	413.477	5.381	30	20	HKED	
C[C@H](c1nnc(S[C@H](C#N)C2CCCCC2)n1-c1ccccc1)N1CCCCC1	609648708	REYYMJCAHPMHCY-WIYYLYMNSA-N	409.603	5.379	30	20	HKED	
CN(C)Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	609729754	PDLSZSAWUPPNJK-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cc(F)ccc1F	610142368	ZQSGNILIHDZQED-FQEVSTJZSA-N	408.408	5.297	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1SCC(F)(F)F	610628102	HBSADZYZLVEFRZ-WMZOPIPTSA-N	419.472	5.645	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC(Cc3ccccc3)C2)cc1	610629990	KKDOAGVFIOQWDG-UHFFFAOYSA-N	411.505	5.038	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1-c1ccc(Cn2ccnc2)cc1	611392215	NONFFYDIKNXLMX-MUUNZHRXSA-N	418.544	5.637	30	20	HKED	
CSc1cccc([C@@H](NC(=O)N2CCC[C@@](C)(C#N)C2)c2cc(F)ccc2F)c1	612375273	MHARQFSNGXVBOO-IRLDBZIGSA-N	415.509	5.111	30	20	HKED	
CC(C)c1c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cnn1-c1ccc(Cl)cc1	616886132	KXYZVBXYNZJIKB-HNNXBMFYSA-N	407.905	5.403	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)c(C)c1	642177029	OLPNDMFZIKDYGZ-UHFFFAOYSA-N	422.528	5.577	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccco1	644541904	WUQPRNDCHAYGLH-UHFFFAOYSA-N	423.325	5.152	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC2(CCOCC2)CC1)c1ccc(C(F)(F)F)cc1	671209647	LMRJVHPBMTYKAZ-IBGZPJMESA-N	410.480	5.315	30	20	HKED	
CC(C)(C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F	682711225	ATUCBZLIOHITSX-NXEZZACHSA-N	419.768	5.346	30	20	HKED	
COc1cc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)ccc1OC(F)F	727779957	CSTNUMZHLAQKQJ-WMZJFQQLSA-N	413.189	5.021	30	20	HKED	
CCN(C)C(=O)c1cccc(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)c1	729167041	FVMRTGKECVGLCF-UHFFFAOYSA-N	423.582	5.169	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1	730072752	XLOWFKIXGIZDHX-FQEVSTJZSA-N	415.880	5.214	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC(F)F)cc1	733081067	LZGZHTJHETZHTI-TWGQIWQCSA-N	402.378	5.216	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)ccc1OC	733620230	RLFHNRQSNLNUPM-IBGZPJMESA-N	423.513	5.019	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1	733991316	NQUZQCGLLDTKIV-UHFFFAOYSA-N	415.371	5.125	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(/C=C\c2ccccc2)cs1	735263524	OPNWSRQAVXAOTK-KTKRTIGZSA-N	400.463	5.130	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	739156354	WHIJRUSUCDGXAR-FOIQADDNSA-N	424.422	5.385	30	20	HKED	
Cc1ccc(COc2ccc(/C=C\C(=O)c3ccc(S(C)(=O)=O)c(F)c3)cc2)cc1	741846819	IUBSNXDYGUFOBG-LCYFTJDESA-N	424.493	5.013	30	20	HKED	
C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Oc1ccc(F)cc1	743095155	GPIPMILSFLONBD-UZUQRXQVSA-N	403.457	5.070	30	20	HKED	
COc1ccc(CC[C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	743294599	QFVSFHAXPVTZAO-DFBJGRDBSA-N	413.521	5.493	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Cl	744029266	RQTKPBPTYCJBQC-NHCUHLMSSA-N	416.908	5.404	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744063340	LVWVYVLFCPSNER-XJKSGUPXSA-N	415.440	5.594	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)c1nc2ccccc2s1	745311885	AJIIDQLGOBVIPS-ZDUSSCGKSA-N	403.276	5.007	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1C	749510447	UGOBJOZFOFNAMF-UHFFFAOYSA-N	405.498	5.516	30	20	HKED	
COc1cccc(/C(C)=C\C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	751831766	ZFUCKXMSCLIRCV-IYCSXQJISA-N	416.424	5.603	30	20	HKED	
COc1cccc([C@H](C#N)NC(=O)CCCCc2ccc(Cl)c(Cl)c2)c1OC	753561137	CFMHONDMSFANNP-SFHVURJKSA-N	421.324	5.104	30	20	HKED	
N#Cc1ccccc1/C=C(/Cl)c1nnc(C(=O)Nc2ccc(Cl)cc2)s1	755583198	CLNBWRSXDNVMOJ-OQLLNIDSSA-N	401.278	5.052	30	20	HKED	
C[C@@H](Cc1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	756516201	QNYSNAXRBPYXJH-XHDPSFHLSA-N	409.700	5.173	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2sc(C)nc2C(F)(F)F)cc1OC	758998173	LNLIMZNYXRSRQX-UHFFFAOYSA-N	408.829	5.082	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cc(C)ccc2OC(F)F)cc1OCCCC#N	762604818	RDOBOVAWZWSCEP-VURMDHGXSA-N	401.409	5.184	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2ncc(-c3ccccc3F)o2)c2ccccc21	769541155	IJDLYHGXAHRYCY-UHFFFAOYSA-N	403.413	5.096	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Oc1ccc(C#N)cc1F	769738750	ZRVSMVOXMXYODT-LBPRGKRZSA-N	416.861	5.233	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCCC(C)(C)C#N	776375021	YGIUFXKPDFTDSY-UHFFFAOYSA-N	408.882	5.198	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3sccc3SC(F)F)n2)c(Cl)c1	782524794	VOFIXVGPHJWJJL-UHFFFAOYSA-N	410.858	5.026	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)[C@H](C)Oc1ccc(Cl)cc1Cl	788028194	KHQFPCGEOCZPGH-NSHDSACASA-N	408.314	5.162	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C	789450343	OHUICBVYJZMHKW-QGZVFWFLSA-N	401.551	5.012	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1ccc(C(C)(C)C#N)cc1)CC2	793857737	ZEHTXHUJOXXNEI-UHFFFAOYSA-N	405.498	5.038	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(C2CCC2)c1	798737763	AFPFFNIGJCTCOT-INIZCTEOSA-N	408.523	5.001	30	20	HKED	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C1\C[C@H](C(=O)O)c2ccccc2C1=O	806560511	MPHSECXXAXNTGF-CAVPUYEOSA-N	414.505	5.067	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccnc2)CCCC1)c1nc(-c2c(F)cccc2F)cs1	808981195	FLEKVFGSBSVCHU-HNNXBMFYSA-N	409.461	5.172	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1cc(C(F)(F)F)ccn1	813215395	XSUJKYKYZHEMJD-OGZRUICASA-N	401.775	5.192	30	20	HKED	
C=CCn1c(SCc2cccc(Br)n2)nnc1-c1cccc(Cl)c1	813573389	GOVRKFHUDXUOHF-UHFFFAOYSA-N	421.751	5.234	30	20	HKED	
COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1Cl	916974620	OELHTRJXOJIDMD-QGZVFWFLSA-N	410.926	5.590	30	20	HKED	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976541	RYPPQHVLGGLOTC-VBKZILBWSA-N	422.937	5.596	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2c(C)cccc12	920108541	GETWLQMTGSKABE-HXUWFJFHSA-N	424.456	5.803	30	20	HKED	
N#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cc2)CCC1	1789188665	BBUKILXQNDFCQA-VLCRHTCISA-N	407.558	5.031	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1	1808204030	VLSLNOSSDZDXAY-UHFFFAOYSA-N	423.022	5.239	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)[nH]n1	1814829432	QLCIRTMSLUNCQB-HXUWFJFHSA-N	412.578	5.163	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)[nH]n1	1819552787	BKCDENWEAUOIRS-MRXNPFEDSA-N	424.536	5.076	30	20	HKED	
Cc1nc(-c2ccccc2)sc1/C(O)=N/c1nc(CN2CCC[C@H](C)C2)cs1	28677760	AVUMYKAPJHWWRI-AWEZNQCLSA-N	412.584	5.443	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(C(F)(F)F)cn1	41555257	OGIDQTJPZSYBDI-GOSISDBHSA-N	414.358	5.309	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1	65647043	VPKXSHOQCALSNX-UHFFFAOYSA-N	412.367	5.130	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3cc(Br)cs3)cc2c1C	206605667	SQIPQORGEKWFNS-ARJAWSKDSA-N	422.325	5.111	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1	208003035	HLHUXEYXCMBUND-UWONZBIMSA-N	417.412	5.079	30	20	HKED	
CC[C@H](NC(=O)CNc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	303388468	XQBVEGCBMUTFGU-YJBOKZPZSA-N	401.963	5.414	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(-c2ccccc2F)cs1	426897107	DQEQWBACEYOATM-UHFFFAOYSA-N	421.950	5.562	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cccc(SCC#N)c3)s2)cc1	430698599	FVFPYMKWPKYQJY-HNNXBMFYSA-N	407.564	5.534	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	433709134	MHPBMSHSINZOIT-HLASGMPESA-N	409.345	5.932	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC	437462854	PBBVKXPJOPNJFT-UHFFFAOYSA-N	420.440	5.078	30	20	HKED	
CCSCC[C@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	437972392	RRFTWAJSCCOLPC-SFHVURJKSA-N	411.571	5.441	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1	438049928	CHGDJIGBXJYOSI-JLGINSKQSA-N	408.542	5.046	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(C#N)cc1	438635326	UGOOGVCQKMSRPM-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccnc2)cc1F	438663474	HVUPBNKDCGOFEM-HXUWFJFHSA-N	402.429	5.254	30	20	HKED	
CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)c1cccc(C(F)(F)F)c1	441285257	LLDSUHWLCAQCDX-CQSZACIVSA-N	400.404	5.210	30	20	HKED	
COc1ccc(-c2ncc(C(=O)N(Cc3ccco3)c3ccccc3C#N)s2)cc1	443833458	HCTVEOZBIIJDEQ-UHFFFAOYSA-N	415.474	5.130	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc3c(n2)CCCC3)cc1	444543829	DYTWKLPTOPIHEK-UHFFFAOYSA-N	413.546	5.054	30	20	HKED	
C=CCN(C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)C1CC1	445037545	HFNZOQGPRSRQFT-UHFFFAOYSA-N	406.939	5.464	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c(F)c1	445798502	POGKNTDXECGQBO-UHFFFAOYSA-N	408.795	5.285	30	20	HKED	
COc1ccc(CNc2ccc(C(=O)Nc3ccccc3)cc2)cc1OCCCC#N	446888567	KEGAVTOICSIMBK-UHFFFAOYSA-N	415.493	5.242	30	20	HKED	
Cc1cc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1-c1ccccc1	460235684	ICKXVWFBICRJIU-UHFFFAOYSA-N	424.548	5.274	30	20	HKED	
CCOc1c(F)cccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	463609071	CZHHCLINLCQWRR-UHFFFAOYSA-N	406.413	5.149	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)c2oc3ccccc3c2CSc2cccs2)c1	464050729	SYYAECKUFZQVRY-UHFFFAOYSA-N	422.506	5.727	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)oc2c(Br)cccc12	464412601	SZQXQNBNEZQWRS-GFCCVEGCSA-N	423.188	5.408	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1	473088181	LJMZGMGUEZRKHI-ZEQRLZLVSA-N	418.537	5.127	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1ncc(-c2cccc(F)c2)o1	476468208	QWBZHAXRBBHQCL-UHFFFAOYSA-N	406.486	5.141	30	20	HKED	
C=C(C)[C@@H](NC(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccc(F)c(F)c1	476866977	WYUJXVNJXHBODH-HSZRJFAPSA-N	423.463	5.055	30	20	HKED	
C=C(C)Cn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccncc1	481335522	FLXDLGINBIPJSP-UHFFFAOYSA-N	423.929	5.517	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)nn1-c1ccc(Cl)cc1Cl	483205477	ZGJBVDRWSBFYTN-KRWDZBQOSA-N	421.287	5.526	30	20	HKED	
CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)Cc1ccccc1C(F)(F)F	483418573	OHMVUVOQROXNLZ-HNNXBMFYSA-N	414.431	5.080	30	20	HKED	
N#CC[C@H](CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2)c1ccccc1	484093898	KUXHBBYWNYIWAJ-QGZVFWFLSA-N	404.901	5.040	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccc(Sc3ccccc3C#N)cc2)nc2ccccc21	484556981	UFRWNKCUZZRVEB-IBGZPJMESA-N	408.486	5.086	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccc(F)cc1-c1ccc(F)cc1	488056551	ZPONNEZWWPWZON-UHFFFAOYSA-N	409.461	5.298	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(Cc2c(F)cccc2Cl)o1	488803297	YFLOAKTZNQKUES-UHFFFAOYSA-N	401.894	5.546	30	20	HKED	
C[C@@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)Cc1cc(C#N)ccc1Br	491720169	MDVYFSACSOWCEY-MGUXCZDKSA-N	417.155	5.637	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1cccnc1	496572337	LYGGFWXFYQQWEG-SBUREZEXSA-N	419.912	5.012	30	20	HKED	
N#Cc1ccc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)c(Cl)c1	497369998	RTJVBAJNAPZNQO-UHFFFAOYSA-N	420.625	5.021	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)oc2c(Cl)cccc12	499416477	GANWASZKBKPMGO-HNNXBMFYSA-N	403.663	5.152	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	499810524	JRSPLFSGYOLZAS-LBPRGKRZSA-N	408.335	5.482	30	20	HKED	
CC[C@@H]1C[C@]1(NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C)c1	502561850	WRNFPKNWDXFLFK-XLNZFTOWSA-N	407.583	5.100	30	20	HKED	
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1	502614914	AHAHGJZOERJXAK-GOSISDBHSA-N	420.513	5.028	30	20	HKED	
C[C@H](NC(=O)NC1(c2ccc(Br)cc2)CCCC1)c1ccc(C#N)cc1	503241360	AKQJZKSBCQGQFV-HNNXBMFYSA-N	412.331	5.150	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)cc1	503838075	AAILUMFSBCHGQM-UHFFFAOYSA-N	405.457	5.152	30	20	HKED	
N#C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1	505941542	CCXLAESFGXDGIG-INIZCTEOSA-N	404.322	5.307	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1	506920548	ZMCPMTHDOAJGIE-IBGZPJMESA-N	413.477	5.283	30	20	HKED	
COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)N(CCC#N)CC1CC1	506937351	QNHSRVIRWUFJGM-UHFFFAOYSA-N	417.918	5.013	30	20	HKED	
C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1	508854465	CSQFNDXZHQYVCM-UHFFFAOYSA-N	424.932	5.094	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	509031539	SFINEAXMRNPYBL-NSHDSACASA-N	405.310	5.145	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(Br)c1)c1ccc(C(F)(F)F)cn1	511926413	QDGNVADYERYJSD-JTQLQIEISA-N	403.585	5.006	30	20	HKED	
N#CCCN(C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccc(F)cc1	516375531	JBCSWENWWHLOPN-UHFFFAOYSA-N	415.184	5.167	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	517478174	ICIZLCRNGHDYPO-RBUKOAKNSA-N	403.309	5.442	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1cccc(Cl)c1Cl	518710297	WXCKYFIOVQJQNB-MRXNPFEDSA-N	405.672	5.032	30	20	HKED	
N#CCCC[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1ccccc1	518806204	VMXIUONOFVRSDE-OAQYLSRUSA-N	409.331	5.160	30	20	HKED	
N#Cc1c(F)cccc1N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	518927377	KPQFGAXQLBIRBY-UHFFFAOYSA-N	404.420	5.043	30	20	HKED	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519989399	QWTNRXPJCHHAMS-UHFFFAOYSA-N	423.476	5.200	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(C#N)cc1	520432567	BDUTXRIWVBZCGR-OAHLLOKOSA-N	424.932	5.157	30	20	HKED	
CSc1ccc(NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	521536817	BWKXJFTVWBAVAO-MRXNPFEDSA-N	403.507	5.512	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl	521730764	RIQNBYLTYYXBAF-NSHDSACASA-N	421.374	6.712	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Cc2ccccc2F)CC1	531519826	JGEGNLQKUANXLA-QGZVFWFLSA-N	411.546	5.707	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC23CCCCC3)cc1	534040182	YKTOCPLWAIBGBU-UHFFFAOYSA-N	403.526	5.662	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1	537008308	ZSYZUROIAKNBCM-UHFFFAOYSA-N	423.516	5.030	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)CN[C@H](CC(F)(F)F)c2ccccc2)ccc1Cl	539275190	BUFJLTGXLBVRIU-LJQANCHMSA-N	423.866	5.178	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541110337	WHYUVXVBINYXDG-MRXNPFEDSA-N	411.461	5.202	30	20	HKED	
CC(C)COC1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	541158736	KUTTUSCQTJTGTK-IBGZPJMESA-N	405.542	5.133	30	20	HKED	
Cc1c([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nnn1-c1ccccc1	542107100	ZBIPROFPBPRPLT-RBUKOAKNSA-N	407.521	5.526	30	20	HKED	
Cn1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(-c2ccccc2)n1	542923495	JPYPMRYFFAADHH-UHFFFAOYSA-N	423.476	5.073	30	20	HKED	
C[C@@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543863189	NOAHVHBACDMFOT-NSYGIPOTSA-N	413.496	5.035	30	20	HKED	
FC(F)(F)c1cc([C@H](NCc2ccccn2)C(F)(F)F)cc(C(F)(F)F)c1	543981174	GTTLYFKXXZCECV-ZDUSSCGKSA-N	402.260	5.512	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1Cc1ccccc1	546834621	XMKXUDCPXSJRSB-TZIWHRDSSA-N	422.598	5.209	30	20	HKED	
COc1ccc(CN(CC2CCC2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(OC)c1	548940558	HMNLXEUXKZMYJO-UHFFFAOYSA-N	421.541	5.339	30	20	HKED	
Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1-c1ccncc1	552878305	QOXNCKIBTWPNGI-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3cc[nH]n3)cc2Cl)cc1	554168713	IHKKQJKGUAHDSP-FQEVSTJZSA-N	421.888	5.486	30	20	HKED	
Cc1ccc(-c2cc(-c3nnc(SCCOCCC#N)o3)c3ccccc3n2)cc1	555012488	CQKPZBOGHYTIKP-UHFFFAOYSA-N	416.506	5.283	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCC(C)(C)CCC#N)cc12	561732891	LVUDEPOTFKWCLS-UHFFFAOYSA-N	414.962	5.168	30	20	HKED	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	562101256	BOMWEQRZGKADBS-AGHHOFFYSA-N	422.960	5.086	30	20	HKED	
C[C@@H](Sc1cccc(F)c1C#N)c1nc(O)c2c(-c3cccs3)csc2n1	562474510	XNXDTOQJQAUZDP-SNVBAGLBSA-N	413.524	5.989	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccc3c(c1)OCCO3)c1ccccc1Cl)CC2	563963814	PSLNLEKSIYUMAR-RDGATRHJSA-N	416.908	5.349	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2)ccn1	565572200	WZVMFOKHIUGPMA-UHFFFAOYSA-N	421.460	5.061	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3[C@H]4CC[C@H]3c3ccccc34)c2)c1	569514244	YCOPVYBBHRDTBN-GOTSBHOMSA-N	408.461	5.234	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)Cc1ccccc1Br	572440210	VLCMMGJKCSDCET-UHFFFAOYSA-N	408.361	5.243	30	20	HKED	
N#CCCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(F)cc1	573269762	GASYOYYYZQSHCF-UHFFFAOYSA-N	401.466	5.409	30	20	HKED	
CC1(C#N)CCN(c2nnc(-c3cc4ccccc4o3)n2CCc2ccccc2)CC1	574461364	UQAHHACJUUNJNL-UHFFFAOYSA-N	411.509	5.064	30	20	HKED	
COc1ccc([C@@H](CCC#N)NCCc2c[nH]c3cccc(Br)c23)cc1	575221853	FPDZYMVGKFZWAV-LJQANCHMSA-N	412.331	5.116	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2csc(-c3ccncc3)n2)cc1	577401401	FKEUUIGUKJBQGY-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(SCc2ccccc2)cc1	577913428	IWIWZTYSHGHFHM-UHFFFAOYSA-N	416.546	5.139	30	20	HKED	
CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	578561910	XDPTYOWWMDAASA-UHFFFAOYSA-N	406.873	5.453	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1Cl	581197308	VYIOWNGHJDLPMA-UHFFFAOYSA-N	415.621	5.136	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1	589384742	KNZZIJGJWYDMMM-UHFFFAOYSA-N	424.504	5.201	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cc1	595936907	DHSFWVMMTPMPCB-UHFFFAOYSA-N	423.472	5.177	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	601202927	TURGZBRESSGMQA-UHFFFAOYSA-N	409.530	5.208	30	20	HKED	
C=CCCCN(C)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F	605958486	VPSKXTXXLWENRK-IBGZPJMESA-N	405.311	5.285	30	20	HKED	
Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	608840395	AEOQIZRJRUTRDS-QGZVFWFLSA-N	410.949	5.098	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609208363	GKHHQRYEZOWEIP-UHFFFAOYSA-N	409.383	5.083	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc2ccccc12	609389522	UJYQQOKNMDLUOZ-MSOLQXFVSA-N	420.603	6.524	30	20	HKED	
CC(C)c1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)on1	609626542	VCSFOIOIDWCQQW-UHFFFAOYSA-N	424.888	5.224	30	20	HKED	
C[C@@H](Sc1nnc(S[C@H](C)c2ccc(C#N)cc2)n1C)c1ccc(C#N)cc1	609813835	XOPNWGPOCZFJRL-HUUCEWRRSA-N	405.552	5.265	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)nc1-c1ccccc1	610112855	GPTNNRSFGLJPAG-NRFANRHFSA-N	415.493	5.079	30	20	HKED	
C[C@@H](NC(=O)Nc1cc(Br)cc(C(F)(F)F)c1)c1cccc(C#N)c1	610331271	GBHXPXQHGASOFV-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC(CC(F)(F)F)C2)cc1Cl	610743381	XGJJSJRZZKMUFE-KRWDZBQOSA-N	407.823	5.412	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c(Cl)c1	611165758	IHMNSWHQYJYLKZ-INIZCTEOSA-N	411.235	5.274	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1	613392668	YGVPDVOMZZQELA-MRXNPFEDSA-N	405.479	5.563	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1	613404938	XFGSCMYOLFHOKQ-GFCCVEGCSA-N	414.330	5.824	30	20	HKED	
Cc1cc(-n2cccn2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	616167002	MQIIWKZXCAHLSW-UHFFFAOYSA-N	410.502	5.456	30	20	HKED	
C=CCCO[C@@H](C)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	620567931	VAPXHHRISNNMNG-JTQLQIEISA-N	418.371	5.057	30	20	HKED	
COc1cccc(CCC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1F	622485727	WLEFQFNOCZVNLK-QGZVFWFLSA-N	423.328	5.206	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C(F)F	676144362	WZKNALFBFOLYAQ-UHFFFAOYSA-N	417.256	5.010	30	20	HKED	
N#C[C@H](C(=O)c1cccnc1OCc1ccccc1F)c1nc2cc(F)ccc2s1	682991347	HESGNLBQLUYDOU-MRXNPFEDSA-N	421.428	5.039	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(OC(F)F)cc1	726427192	SCDJPYUYYPBMKC-UHFFFAOYSA-N	404.848	5.697	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	726475949	DGVYYNJQLYDFFO-UHFFFAOYSA-N	405.910	5.383	30	20	HKED	
COc1ccccc1/C(C)=C/C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	727632185	SGBHYECQXYASOI-NRMKIYEFSA-N	410.445	5.377	30	20	HKED	
CC(=NNc1ncccc1C(F)(F)F)c1sc(-c2ccc(Cl)cc2)nc1C	727650887	BHORIJAHPLGOAA-UHFFFAOYSA-N	410.852	6.022	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1	728062863	XDVKFSUVADTGIF-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1	730688553	YWJMFEQKQGRLEC-YESZJQIVSA-N	413.329	6.097	30	20	HKED	
O=C(/C=C/C1CCOCC1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	732707838	GYSIQEVJZCWUTI-MDZDMXLPSA-N	420.559	5.590	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	733637979	QUIVNNLVOVFTBR-UHFFFAOYSA-N	412.852	5.282	30	20	HKED	
Cc1ccsc1C(=O)/C=C/c1cc(Br)c(O)c(Br)c1	733749066	BMUKIHJHPDVLNN-NSCUHMNNSA-N	402.107	5.183	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccccc2s1	734111566	FAYRPKQENQKCFX-INIZCTEOSA-N	413.502	5.238	30	20	HKED	
COc1ccc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1SC(F)(F)F	741862855	WWAXHWBMITYXIO-UHFFFAOYSA-N	424.831	5.195	30	20	HKED	
N#Cc1cc(NC(=O)c2scnc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1	742785439	WBPLYESCWIHUFU-UHFFFAOYSA-N	423.803	5.732	30	20	HKED	
CCOc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c1	743538479	MBBNOHWCHTYUIZ-BUHFOSPRSA-N	405.881	5.887	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1C(F)(F)F	744038392	SMEJNJPDHVAFOS-IEZBTEQYSA-N	419.353	5.730	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1nc(-c2c(F)cccc2F)cs1	744074221	JTBHXFQEVAQHLU-RLJZQAMKSA-N	420.484	5.559	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(Cc2cccc(F)c2)C2CCCC2)c1=S	746065013	TWZIMVNMOJROMC-UHFFFAOYSA-N	423.561	5.203	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C)s1)C(=O)c1ccccc1	747150367	PZGDQDXCUHVSPX-CJLVFECKSA-N	403.547	6.086	30	20	HKED	
CCc1oc2ccccc2c1C=NO[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F	749616697	RJEYMLJQKWCAOW-ZDUSSCGKSA-N	404.388	5.392	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)ccc1OCC(F)(F)F	750906013	PJXXXFIWMOHUAC-ONNFQVAWSA-N	416.399	5.108	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)CCc2cc(Cl)ccc2Br)n1	751177172	FDNBOXYRCYLHHD-CYBMUJFWSA-N	411.752	5.491	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(-c2cccs2)n(C2CC2)c1=S	751933625	KWKBDYGSMUBBOR-OALUTQOASA-N	421.595	5.207	30	20	HKED	
CCN(C(=O)c1c(C)nn(Cc2ccccc2)c1Cl)c1ccc(C#N)c(Cl)c1	755369804	HLKXCYFSZZXGHW-UHFFFAOYSA-N	413.308	5.085	30	20	HKED	
CO[C@](C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1F	759442615	ZSDCUVSWYAWVTA-BLVKFPJESA-N	422.403	5.192	30	20	HKED	
N#CCOc1cccc(CC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c1	760443954	AKJZHYOKVZDVSD-UHFFFAOYSA-N	416.443	5.122	30	20	HKED	
C=CCN(C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)C(C)C	764375993	JOPKMIVMVWUGDR-CYBMUJFWSA-N	408.365	5.240	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	768596074	OXQGZHYBGCNUMZ-UHFFFAOYSA-N	409.511	5.245	30	20	HKED	
CCc1nc2ccccc2n1C1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1	771537701	BKSJIFOTDAAQTG-UHFFFAOYSA-N	423.973	5.158	30	20	HKED	
Cn1c(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc21	771962577	JBHWMTVCRVXTPE-UHFFFAOYSA-N	405.317	5.040	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)c3ccc(OCC#N)cc3)s2)cc1	772959387	LKTCWSYVWBPYBS-CVEARBPZSA-N	407.539	5.441	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccccc3)cc2)ccc1OC	772980397	OFLPWWTULCZDHI-YADARESESA-N	400.522	5.894	30	20	HKED	
Cc1nc(Br)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	773719377	XSGMCOKKTJZAOK-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#CCCCn1cc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)c2ccccc21	774095885	RDSOLMKVPHHZDC-UHFFFAOYSA-N	413.433	5.010	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)c3ccccc3n2)c(C)c1	780305852	OLETYPBPFQJWTO-QHCPKHFHSA-N	419.484	5.480	30	20	HKED	
Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CCC2	780529914	GDMSFJKXVNYKQE-FQEVSTJZSA-N	404.495	5.315	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	786306736	LSIQWXWAPKQXSW-IUODEOHRSA-N	414.292	5.316	30	20	HKED	
CC1CCN(CCC[C@H](NCc2ccc(OCC#N)cc2)c2ccc(F)cc2)CC1	788649838	UNKPKORATKLSEB-VWLOTQADSA-N	409.549	5.071	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C[C@H](CC#N)c1ccccc1)CC2	793855215	LQXJPLVABUFUQQ-IBGZPJMESA-N	405.498	5.010	30	20	HKED	
COc1cc(CN[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)ccc1C#N	799342319	GWNPMWUEUDXJQZ-NRFANRHFSA-N	407.514	5.081	30	20	HKED	
N#CCn1c(CS[C@@H](c2ccccc2)c2ccc(F)cc2)nc2ccccc2c1=O	801661495	QECJZHHJYBEIKX-QHCPKHFHSA-N	415.493	5.082	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	805858069	NCLZRZYKYRYGID-KSSFIOAISA-N	404.420	5.035	30	20	HKED	
Cc1c(C(=O)/C=C/c2cn(C)nc2C(F)F)cnn1-c1ccc(Cl)cc1Cl	812243059	BLRNYZFFZBJGMY-ZZXKWVIFSA-N	411.239	5.055	30	20	HKED	
Cc1ccc(C2=CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1	915352162	FWVWOTBNMUXHPS-SANMLTNESA-N	407.517	5.972	30	20	HKED	
COc1cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1O	916129858	ALHZLCJHKRXUMH-DUXPYHPUSA-N	407.647	5.459	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(-c3ccccc3)n2)cc1Br	916134146	DYJHDTGUSYQUAI-HJWRWDBZSA-N	400.297	5.477	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1ccc2ccccc2n1	916848856	JGOFFDZQTMKRTG-IUODEOHRSA-N	401.318	5.899	30	20	HKED	
Cc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917042831	HOKARXVSPJOSMV-MRXNPFEDSA-N	402.441	5.741	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1	921164349	YDSKVHAONKTTKY-UHFFFAOYSA-N	422.497	5.779	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1	1786749005	YTEIZFXBFSDRRV-CGIBVWHJSA-N	404.510	5.195	30	20	HKED	
C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1	1791583603	OJSKYPNWPGTRNU-UHFFFAOYSA-N	422.575	5.514	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822327644	DMHAUSMTIXBQDZ-FQEVSTJZSA-N	412.578	5.141	30	20	HKED	
CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1	1831464084	ABFOJMSYJZCVSY-HYBUGGRVSA-N	423.601	5.008	30	20	HKED	
N#CCC[C@@H](C#N)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F	7034764	MUBULIDTALQQHJ-AWEZNQCLSA-N	411.893	5.262	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1	14670803	PXGSGWVQAGEMHL-GOSISDBHSA-N	409.580	5.350	30	20	HKED	
C[C@H](C#N)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1	17747617	JCIKCOKPSVLOLE-CYBMUJFWSA-N	409.481	5.418	30	20	HKED	
O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccccc1)c1cc(F)ccc1F	22693262	NEHICWIRWVHCAF-UHFFFAOYSA-O	419.476	5.456	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	41552163	TUKVJPYEEAALOA-OAHLLOKOSA-N	419.403	5.085	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)cs1	48855973	UYNINYOCGIHEMK-FQEVSTJZSA-N	415.543	5.782	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c1	55724753	SZDXPXQBJBYFBX-UHFFFAOYSA-N	401.388	5.017	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2cccc(Cl)c2)cc1	56757970	YAQCPEKAWSTHHF-QGZVFWFLSA-N	411.933	5.379	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)o1	59368007	YXBFGAHSNXAZIL-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	62383273	YFXYZPVZQIZXMK-UHFFFAOYSA-N	414.509	5.593	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C	62411975	OEWGIABRHCYINK-OAQYLSRUSA-N	419.569	5.272	30	20	HKED	
Cc1ccccc1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1cc(O)ccc1C	63851331	BYTBDXQLOJGSLJ-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1	195633027	ZZDHMCNJVWBYSY-OAQYLSRUSA-N	416.443	5.002	30	20	HKED	
C=CCOc1ccccc1CNCc1cccc(NC(=O)c2ccccc2Cl)c1	237860862	VEMVRSKOAONZMC-UHFFFAOYSA-N	406.913	5.447	30	20	HKED	
N#Cc1ccc2nc(N3CCC[C@H](c4nc(-c5ccc(Cl)cc5)no4)C3)ccc2c1	302031821	IPRIDDHIIAKYSE-SFHVURJKSA-N	415.884	5.194	30	20	HKED	
Cc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2cccc(C#N)c2)cc1C	303135960	CUSCARVAOZKBBJ-UHFFFAOYSA-N	406.533	5.377	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	303424202	ZDRQQIPHFHISOH-KRWDZBQOSA-N	402.306	5.420	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)nc12	429574178	FFPCRAHAGYLQKF-INIZCTEOSA-N	420.831	5.341	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)s1	430622130	FCNXJUOFFUFCBA-LBPRGKRZSA-N	419.337	5.423	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCCC(=O)Nc1ccccc1C#N	432331500	NNMMGABIBJYHJI-IBGZPJMESA-N	403.526	5.057	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1SCCC#N)c1ccc(Br)cc1	432680564	RIWKWUIYQLEGCH-CQSZACIVSA-N	403.345	5.587	30	20	HKED	
Cc1cc(F)ccc1C1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	433117816	OSJSIHWMCNKFEC-INIZCTEOSA-N	411.546	5.797	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	436329584	BQFFHORCORTWQQ-WEYGHZABSA-N	409.917	5.098	30	20	HKED	
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	438144758	YBPLPMWTOAGGQW-QFIPXVFZSA-N	411.889	5.243	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)c(F)c3)n2)cc1	439643058	JCUVNCIONINGQS-CQSZACIVSA-N	420.387	5.467	30	20	HKED	
CCCc1c(NC(=O)N(C)Cc2ccccc2Cl)cnn1-c1cccc(C#N)c1	439668792	DMGQDWPXMBFIQO-UHFFFAOYSA-N	407.905	5.014	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)c(C4CC4)c3)n2)cc1	447520769	LLHKIKIFYFOJHB-LJQANCHMSA-N	404.491	5.195	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1cccc(C)c1	460957561	LCJUYOMHDMNFQZ-NRFANRHFSA-N	418.541	5.188	30	20	HKED	
CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCCC[C@H]1C(F)(F)F	461116702	YDXWOBOSSCQCHU-SJORKVTESA-N	422.476	5.190	30	20	HKED	
CC(C)OCc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)oc2ccccc12	464459494	HTOYHIYBKGQSAT-HNNXBMFYSA-N	402.372	5.262	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1	466140322	BWQZAUCNSNTIIS-TUNNFDKTSA-N	403.526	5.422	30	20	HKED	
CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1nc(C(F)(F)F)cs1	466667029	WDODWTWQXHAVRP-INIZCTEOSA-N	424.492	5.352	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)c(F)cc1F	466718034	SBPIBVSMALTVRD-UHFFFAOYSA-N	408.246	5.043	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1	466904270	HDXLXDPQSMBZCR-UYAOXDASSA-N	400.478	5.139	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cncc(-c4ccccc4)c3)n2)cc1	467070821	GJYZQTSZRPVBPS-NRFANRHFSA-N	411.486	5.371	30	20	HKED	
C=CCn1c(SCc2ccc(F)cn2)nc2scc(-c3cccs3)c2c1=O	468415737	BOMZBOUXRUVLDG-UHFFFAOYSA-N	415.540	5.199	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)ccc21	469951083	UVGOIFPKHYWPRP-ZEQRLZLVSA-N	423.516	5.165	30	20	HKED	
Cc1nnc(-c2cc(F)ccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)o1	471356976	CYFUVFRVHBGFGF-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	474437956	HUBFXFOTGDJLHB-INIZCTEOSA-N	411.552	5.654	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)c(C)c2)n1	475534574	FNCVMRDBKJQHLS-GOSISDBHSA-N	407.564	5.937	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCc1coc(-c2ccc(C)cc2)n1	475565008	VLLGHQLWEUOTRQ-UHFFFAOYSA-N	403.526	5.866	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(I)c1	476102095	YMWBUJBOLZKENI-UHFFFAOYSA-N	423.269	5.535	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c1	476181981	ZFTFELJVCOVAJA-UHFFFAOYSA-N	418.415	5.039	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1C)c1ccc(F)c(F)c1	480830052	PITFPKPRPMZFQH-VFNWGFHPSA-N	415.484	5.240	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cnn1-c1ccc(Cl)cc1	483234707	MMVZJQZLTNEXIK-KRWDZBQOSA-N	415.884	5.082	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1cccs1	489426085	LFRZIJLLOUKIQR-GFCCVEGCSA-N	417.510	5.791	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C(F)F)sc2c1	493038161	SWXSBRIONIAWJX-UHFFFAOYSA-N	414.481	5.796	30	20	HKED	
CC(C)c1ccc([C@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1	497476439	ZARPALSQAPRVDC-XMMPIXPASA-N	417.553	5.544	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)oc2c1ccc1ccccc12	499416027	GODISCYFZUFJPB-LJQANCHMSA-N	419.278	5.652	30	20	HKED	
N#Cc1ccc(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1C(F)(F)F	499860964	OLNXEEHHJDSEEQ-IBGZPJMESA-N	414.362	5.022	30	20	HKED	
Cc1csc(-c2cccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c2)n1	501174250	MGXWJIBEVGOSRN-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	505342084	ISNYENPVUFHBPK-OAHLLOKOSA-N	418.362	5.354	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	505434670	ZIPQHQAJMMGKKI-OAHLLOKOSA-N	405.429	5.487	30	20	HKED	
N#C[C@H](NC(=O)c1occc1CSc1ccccc1)c1ccc(Cl)c(Cl)c1	505949425	SZKCAFVRRMSAHM-SFHVURJKSA-N	417.317	5.873	30	20	HKED	
O=C(Nc1nc(C(F)(F)F)cs1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	507600046	BSCCQKLKQZYVKA-VIFPVBQESA-N	401.307	5.116	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1	507917786	CPMCFQXPNLBBOU-NRFANRHFSA-N	414.461	5.161	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccnc2)cc1	508261094	WUJLBRXWILBETD-OAQYLSRUSA-N	414.465	5.123	30	20	HKED	
Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509921413	ZOMLPDCGQRBNSQ-DEOSSOPVSA-N	414.509	5.039	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCOC1CCCCC1	510560922	ULQUDVJXSCUBOA-UHFFFAOYSA-N	407.514	5.520	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(Cl)s1	510918063	PDAHDXVMSYMHPI-UHFFFAOYSA-N	411.914	6.038	30	20	HKED	
O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	512376433	IOUQQBUUVPPTLN-HACGYAERSA-N	411.361	5.471	30	20	HKED	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	514118078	FAWJKSAVQDBBSJ-DVECYGJZSA-N	423.532	5.004	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1-c1ccccc1	515183687	KMKNYKDVBSOTDK-UHFFFAOYSA-N	423.476	5.442	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)COC(c1ccccc1)c1ccccc1	515668085	IJGIPIDHADSWDG-UHFFFAOYSA-N	401.506	5.016	30	20	HKED	
N#Cc1ccc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cc1	517569287	QZHKVEIDTHBMDN-UHFFFAOYSA-N	401.510	5.060	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	517902680	JGCBXHAQCTXDHM-MRXNPFEDSA-N	414.465	5.192	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(OCCCC#N)c1	518061715	KCKJQOHSBPFAKV-UHFFFAOYSA-N	421.522	5.519	30	20	HKED	
Cc1c([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cnn1-c1ccc(F)cc1	519071932	PLQJKAGZXHYJSG-QGZVFWFLSA-N	424.479	5.350	30	20	HKED	
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	525284705	BDHKTUWWGDUEAU-ZEQRLZLVSA-N	411.505	5.544	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	525342055	QROWXMIOAYFNJK-CQSZACIVSA-N	420.559	5.513	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(COc2ccccc2)cc1	538032985	VFOPKRWONJRVGI-RPBOFIJWSA-N	411.505	5.569	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C	538338137	ZIKUXXYJDUTDIL-CYBMUJFWSA-N	408.926	5.576	30	20	HKED	
CN(C(=O)c1ncc(C#N)cc1Cl)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	538478448	WVROQHCUQMAWSE-DOTOQJQBSA-N	407.823	5.034	30	20	HKED	
Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541175463	MWIQYTYECIQTPE-ZWKOTPCHSA-N	424.573	6.464	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1cc(F)ccc1Br	541285328	XBLCJHLUXOWNFG-ZDUSSCGKSA-N	421.335	5.554	30	20	HKED	
O=C(Nc1c(F)cccc1F)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F	542989971	GKLMHENUGPYMFK-CYBMUJFWSA-N	414.252	5.289	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1	553448040	LXQKGXZHOILERG-UHFFFAOYSA-N	405.498	5.145	30	20	HKED	
Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(CC#N)CC2)n1CC(C)C	555356092	DAKYPSZVKUZBFY-UHFFFAOYSA-N	420.586	5.163	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(OC)c(OC)c1	558339935	BIAVHONQAIMAGO-RDJZCZTQSA-N	413.543	5.371	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1	568815052	HUTQAUWNAXEUBM-INIZCTEOSA-N	420.538	5.136	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c2c(C)noc2n1	603533023	MDEYFEWCEGLNBV-UHFFFAOYSA-N	414.440	5.006	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603691241	JZTAUDBRIHKUKN-AWEZNQCLSA-N	408.408	5.249	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4cccnc4)on3)c2C#N)C1	603730861	RPKNVUOTNFSTSB-CQSZACIVSA-N	406.511	5.073	30	20	HKED	
C=CCn1c(S[C@@H](CC)c2ccc(F)cc2)nnc1[C@@H]1COc2ccccc2O1	606150146	FBBIOSLROIILBY-PMACEKPBSA-N	411.502	5.359	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H]1c1cccc(F)c1F	607464614	XOAWYMVRMZFWAN-XYNYFCMSSA-N	415.324	5.094	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)c1	609049891	ZJCUZSBSPSZRTI-UHFFFAOYSA-N	412.424	5.360	30	20	HKED	
CCO[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	609062298	KXVHAUZZYISSJG-QHCPKHFHSA-N	420.896	5.507	30	20	HKED	
C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609123762	WXTKWJQYLNFTGI-OAHLLOKOSA-N	409.486	5.091	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)c2cc3ccccc3n2CC#N)s1	609160550	AUURAAKTXXFJGD-UHFFFAOYSA-N	413.546	5.420	30	20	HKED	
CCC(CC)[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1	609211495	KLHGYFOOLQKSRF-JOCHJYFZSA-N	411.571	5.350	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@@H](N2CCCC2)C1	609355757	WDVDNVAQQPRVJL-OAQYLSRUSA-N	418.541	5.141	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	609427507	GCUBOGSZBPSFLX-AWEZNQCLSA-N	413.930	5.113	30	20	HKED	
CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1cc2ccccc2o1	609436733	DHXPJQBYZVTILL-QZTJIDSGSA-N	421.566	6.832	30	20	HKED	
N#C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccccc1Br	609591091	JNDTVWBBGBLPMJ-CQSZACIVSA-N	423.097	5.232	30	20	HKED	
CCOCCCn1c(S[C@@H](C#N)C2CCCCC2)nc2cc(Cl)ccc2c1=O	609648745	VEHIAHVWMHJDJU-IBGZPJMESA-N	419.978	5.041	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)s1	610176632	DPTXARAUYHZQCK-OAHLLOKOSA-N	423.513	5.650	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2cccnc2)CC1	611261078	QVNPAQAVAFQLKI-UHFFFAOYSA-N	412.493	5.466	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1-c1ccccc1	613319242	WUZNWMPYEKLTIW-IBGZPJMESA-N	412.518	5.357	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2nc1O)c1nc(-c2ccc(Cl)cc2)cs1	613319736	KKFSFHPQWKTCQJ-INIZCTEOSA-N	405.866	5.207	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)sc2nc(C(F)(F)F)ccc12	614381663	UOKBWSJBUGUKPF-NSHDSACASA-N	417.437	5.723	30	20	HKED	
O=C(COc1ccccc1C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	622477804	LXQBVYVAZVOXSO-AWEZNQCLSA-N	409.301	5.033	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCc2ccccc2)nc1	672645017	OINTWJZGHVQUJN-UHFFFAOYSA-N	419.529	5.048	30	20	HKED	
CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Oc2ccccc2)cc1	726598310	CIEUHYCLKMXGJA-QFIPXVFZSA-N	420.472	5.152	30	20	HKED	
CCc1cccc2c(C(=O)[C@@H](NCc3ccc(OCC#N)cc3)c3ccccc3)c[nH]c12	727839139	WNQOPPZQCPJHSY-SANMLTNESA-N	423.516	5.346	30	20	HKED	
C#Cc1cccc(N(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1	728247284	YMIRRYLPPHNCCN-UHFFFAOYSA-N	407.901	5.136	30	20	HKED	
CCn1c(/C(Cl)=C\c2ccc(OC)c(OCCCC#N)c2)nc2c(F)cccc21	728438144	BCGWVYAMTVDZGT-DTQAZKPQSA-N	413.880	5.623	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1c(Cl)nc2sccn12	728441829	QYGAKFPKOMWIRP-SREVYHEPSA-N	403.891	5.516	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)c1	728479515	XLCWTWUMLWBPKL-UHFFFAOYSA-N	406.482	5.096	30	20	HKED	
Cc1ccccc1-c1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1	729635371	QBNQOYLOLKLBCP-UHFFFAOYSA-N	418.953	6.081	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Br)cc1Cl)c1cccc(Cl)c1Cl	731195507	IUIURRJJLJVTQG-ZDUSSCGKSA-N	418.505	5.404	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1OC	733229049	VRCYCTLYZCCKPI-MRXNPFEDSA-N	424.884	5.220	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1	744027767	CQPMTVOEYVRNTL-JXOMPUQVSA-N	409.555	5.144	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1SCc1ccccc1	745261479	XFMYHEZRPQYOFZ-UHFFFAOYSA-N	413.546	6.071	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@@H](CC)Cc2ccc(C)cc2)c1	745821409	QKTWMCDPNRWQDB-GOTSBHOMSA-N	407.558	5.229	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)n1	750742177	LPEMPKTXLOWITJ-SWLSCSKDSA-N	415.971	5.825	30	20	HKED	
Cc1ccccc1N(C(=O)Cc1cccc(OCC#N)c1)c1nc2ccccc2s1	760341312	DJFSEHPCJAFWFE-UHFFFAOYSA-N	413.502	5.415	30	20	HKED	
CC(C)N(Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1)C[C@@H]1CCCCO1	761223912	VBUZWMRXLFJEHA-LVXARBLLSA-N	421.585	5.369	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(C)c1	761850740	NSTVTJYKVTUFRP-JTSKRJEESA-N	409.555	5.363	30	20	HKED	
N#CCCN(Cc1ccccn1)Cc1sc(Sc2ccccc2)nc1Cl	769335946	WWJMBXBLGRQBGC-UHFFFAOYSA-N	400.960	5.259	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1Sc1snc(Cl)c1C#N	770997072	GVHFRMRKRDLHCD-UHFFFAOYSA-N	419.963	5.036	30	20	HKED	
CC(C)Oc1ccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1C#N	771878860	PFIAZTSGAJIFDK-UHFFFAOYSA-N	402.376	5.026	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](COc1ccccc1F)c1ccccc1	775182195	YECGBWPNVQTQFY-NRFANRHFSA-N	410.876	5.291	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787046824	SVNFMQWYFOYDLO-KSYCFECVSA-N	421.349	5.053	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(Cl)c(C(F)(F)F)c2)c2ncc[nH]2)c1	787170601	YEHPFIDCPNDAJK-OQLLNIDSSA-N	406.791	5.514	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c(Cl)c1	788360017	GNVSAZFZFDKEPD-LUAWRHEFSA-N	421.283	6.013	30	20	HKED	
CC(C)n1ncc2cc(/C=C3/CCc4nn(-c5ccccc5)cc4C3=O)c(Cl)nc21	794952813	JFYKZHFWKXZXMF-GDNBJRDFSA-N	417.900	5.064	30	20	HKED	
C=CC[C@H](OC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1	797554280	RUTBEQYGSDSUMK-FQEVSTJZSA-N	402.277	5.169	30	20	HKED	
C#CCC(C)(C)c1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1	809440310	BZVDPTJQUHQOPF-UHFFFAOYSA-N	412.287	5.296	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)cc1	809872704	LOYPJJOFDYLCIE-IGKIAQTJSA-N	423.516	5.344	30	20	HKED	
C[C@@H](N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)c(F)c1	810263842	UJKPAKGINWIWBD-VGSWGCGISA-N	411.521	5.394	30	20	HKED	
C#C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1	811516998	DXKDKJFOIMVSOZ-QFIPXVFZSA-N	409.316	5.710	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	812907290	UCJJFZKKIPMWJB-LJQANCHMSA-N	405.295	5.665	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	812919767	OSZNIIPPKADZDZ-UHFFFAOYSA-N	418.261	5.754	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)n1	813073048	RJQYKFCEMAIPSX-YPMHNXCESA-N	409.324	5.538	30	20	HKED	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1cccc(C(F)(F)F)c1	912697896	BJWHSKWPRIBBKZ-AWEZNQCLSA-N	408.445	5.141	30	20	HKED	
Cc1csc(SCc2c(C(=O)NCc3ccc(C#N)cc3)oc3ccccc23)n1	914445488	RPCFAKQMGNDJHQ-UHFFFAOYSA-N	419.531	5.292	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(C3SCCS3)cc2)cc1	915902427	FLJALNOPMOYFTO-UHFFFAOYSA-N	422.497	5.242	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)c(F)c1	916142003	XTPIPRXXTFJTMW-YVMONPNESA-N	418.287	5.616	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)c1	916896977	RXSCYDFACRZDIJ-IBGZPJMESA-N	421.547	5.013	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(C)o3)n2)cc1	916947983	DHJZIVZWYSDHJF-SUMWQHHRSA-N	407.495	5.186	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995264	DEODWLZUQQGBGE-ZJHLSUJBSA-N	405.331	6.068	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1	918712175	IAUQRSDJTSHRPQ-YHYXMXQVSA-N	410.882	5.174	30	20	HKED	
COCc1c(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)sc2cccc(F)c12	920105923	NOMJGEVOAGXCQA-AWEZNQCLSA-N	420.465	5.182	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cc(C)c(C)cc3C)n2)cc1	920138282	CJGLIMMFRZZBJQ-CLNPQZTCSA-N	402.519	5.634	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3ccc4ccc(Cl)cc43)n2)cc1	920143228	OBTMKKXBPDWKEO-SFHVURJKSA-N	416.893	5.166	30	20	HKED	
CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	920144080	XILZBNYTCCYENL-OXQOHEQNSA-N	420.534	5.587	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCS3)CCC2)cc1	1785842436	SMRVTBMCGMPGKA-IBGZPJMESA-N	400.588	5.009	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(OCC)c3)cc2)CCC1	1790342960	REVIHPSSGSJIRR-SFHVURJKSA-N	406.526	5.045	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)C1	1805458518	NFVPRQRVXOYWCK-JOCHJYFZSA-N	422.613	5.180	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccccc2)n[nH]1	1816792313	HQWVEWIQVCUAEV-NRFANRHFSA-N	422.573	5.027	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2C)CC1	1829066279	ZNOVJNFIPCQVPZ-HXUWFJFHSA-N	416.631	5.282	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(C(C)C)cc1	23603586	PSGLVCUCDINDPO-UHFFFAOYSA-O	420.602	5.656	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	31776498	DHQXENPKQCGIBW-INIZCTEOSA-N	406.869	5.197	30	20	HKED	
N#C[C@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc2ccccc2n1C(F)F	41559608	YMQALJGOHAIAJS-MRXNPFEDSA-N	404.420	5.282	30	20	HKED	
COc1cc(C(=O)NC2(C#N)CCCC2)ccc1OCc1ccc(Cl)cc1Cl	60852543	IJKSBUAWCGLFQL-UHFFFAOYSA-N	419.308	5.147	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Cn3cccn3)cc2)cc1	64292706	GDAFOZMBHOIDTI-UHFFFAOYSA-N	424.529	5.348	30	20	HKED	
Cc1sc2nc([C@H](C)Nc3ccc(Oc4ccccc4C#N)cc3)[nH]c(=O)c2c1C	72030863	HPLKKBRQHPCOBX-AWEZNQCLSA-N	416.506	5.439	30	20	HKED	
C#CCOc1cccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1	78667588	AUBLXCKBACWULT-UHFFFAOYSA-N	416.424	5.022	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	97543642	KWQMMBCYYNWXST-UHFFFAOYSA-N	413.477	5.144	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCC#N)Cc1ccco1	116412359	LNLMRKKNWZLTJP-UHFFFAOYSA-N	419.428	5.286	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H]3CCSc4ccc(F)cc43)c2)c1	237726124	MYXRTDHPUURIHV-QHCPKHFHSA-N	404.510	5.603	30	20	HKED	
N#CCCn1cc(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)c(-c2ccccc2)n1	237920597	RCXGJAGYSXAOQY-JOCHJYFZSA-N	422.479	5.232	30	20	HKED	
CC[C@H](C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	255949595	MQXGVOKBTGUARJ-KXBFYZLASA-N	422.579	5.470	30	20	HKED	
Cc1ccc(-n2ncc(N[C@@H](CCC#N)c3ccccc3)c(Cl)c2=O)cc1Cl	301812662	YRTUJCOEVUIKRE-SFHVURJKSA-N	413.308	5.305	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)s1	430609430	HUDAHMNEIHTDBY-HXUWFJFHSA-N	415.518	5.789	30	20	HKED	
N#CCCC[C@H](NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccccc1	431376210	LWYJSEJHXXNTKK-UXHICEINSA-N	403.448	5.142	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1	432478717	OJVKGOOWSQMPLT-VQTJNVASSA-N	403.448	5.457	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	432909262	DSYHXFWJDBYVKD-WMZHIEFXSA-N	418.541	5.258	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)C(F)F)cc1	432914716	BOQKRMUGJVWAFK-QFIPXVFZSA-N	421.447	5.460	30	20	HKED	
Cc1c(C#N)c(NC(=O)CN[C@H](c2ccccc2)C(F)F)n(C2CCCCC2)c1C	433052499	MKUIDFAQXKSLCX-OAQYLSRUSA-N	414.500	5.016	30	20	HKED	
N#C[C@@H](CCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	433226159	LNLRBXZPLFJXFC-VWNXMTODSA-N	407.517	5.189	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	434118325	HQBKZQJAJFDONP-VQQJLRODSA-N	422.516	6.026	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1	435098226	XDFTYGKOMHDUPJ-HTAPYJJXSA-N	406.530	5.038	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2o1	438050239	DDZDQBVMMQRPJR-MBSDFSHPSA-N	408.498	5.027	30	20	HKED	
COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	438052382	XDVMWGWIKCLBGY-HNNXBMFYSA-N	411.527	5.033	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(-c2ccnn2C)ccc1C	439963393	MPQZLYZRYOVQGD-UHFFFAOYSA-N	400.935	5.331	30	20	HKED	
C=CCN(C(=O)C1CC(F)(F)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	440598806	NKLNYHUCSDLFFV-UHFFFAOYSA-N	403.281	5.681	30	20	HKED	
C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H]1c1csc(C)n1	460810033	PCYVQTAOIVWZJB-OAQYLSRUSA-N	407.587	5.136	30	20	HKED	
C[C@H](C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1cccc(C#N)c1	462250668	ZNELNDXGVJJEOA-UQBPGWFLSA-N	423.516	5.278	30	20	HKED	
Cc1cccc(Br)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	463764309	FVOAQNDNJLXQNC-UHFFFAOYSA-N	407.267	5.674	30	20	HKED	
CC(C)(NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1	463951575	BAIVQVSIFGEXNT-UHFFFAOYSA-N	418.309	5.124	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)o1	469238145	GFDKPPNMTDNXRT-QFIPXVFZSA-N	401.466	5.019	30	20	HKED	
CC(C)(OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C(F)(F)F	469357098	XPFQZONHJZDLGJ-UHFFFAOYSA-N	414.371	5.007	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccccc2S[C@H](C)CC#N)c1	470537997	NFNSVDOVBHTFFB-LJQANCHMSA-N	406.555	5.057	30	20	HKED	
C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1ccccc1	473633936	ZTSLYRZJPJUEOI-VQTJNVASSA-N	413.521	5.645	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1	474545089	DJYVXCBBGYBHTA-NRFANRHFSA-N	403.461	5.041	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1	476065708	WJOVBWFOIOSWLP-LJAQVGFWSA-N	408.567	5.321	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCSc1ccc2c(c1)OCCCO2	476170975	YCXJEUWYOWROPI-UHFFFAOYSA-N	411.567	5.821	30	20	HKED	
N#CC[C@H](CC(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1)c1ccccc1	476437107	PPCDEWIIJQZGEP-OAQYLSRUSA-N	420.557	5.480	30	20	HKED	
Cc1cc(Cl)ccc1Oc1ccc(CS(=O)(=O)CCCC(C)(C)C#N)cc1	476886754	RIVFHSBIPXTFCP-UHFFFAOYSA-N	405.947	5.686	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	477699680	IORQPMUGQJAISY-LBPRGKRZSA-N	417.412	5.107	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1	480647959	WMUNBSZDCQDFNH-INIZCTEOSA-N	412.396	5.060	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1	481536915	KZCQAIJAHGUUEI-UHFFFAOYSA-N	411.918	5.173	30	20	HKED	
C=C(C)[C@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1	483291920	CNGIHHVGJMHIBX-NRFANRHFSA-N	403.448	5.007	30	20	HKED	
COc1ccc(CNc2ccc(Oc3ccccc3F)nc2)cc1OCCCC#N	485988561	YOWRVOUMUGHHSX-UHFFFAOYSA-N	407.445	5.316	30	20	HKED	
C=CCSc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	486993708	CXQDQYSVUYLREK-GOSISDBHSA-N	406.532	5.587	30	20	HKED	
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc2ccccc2n1	489627121	LKXGRJYJSYUSNT-UHFFFAOYSA-N	402.523	5.192	30	20	HKED	
Cc1ccccc1[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C1CC1	491105742	BMWZLJZHOIVHPO-VUNKPPBISA-N	403.526	5.007	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(Oc2ccncc2)c1	493342998	AYVAMVGFMWPAFZ-UHFFFAOYSA-N	421.456	6.099	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCOC4(CCCCC4)C3)cc2)c1	494052439	XLPUUTFARGAJAX-HXUWFJFHSA-N	405.498	5.354	30	20	HKED	
COc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc(OC)c1C(C)C	495323363	DBCRCWYCKGAGSQ-UHFFFAOYSA-N	405.498	5.020	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ccc(F)cc2F)nnc1[C@@H]1COc2ccccc2O1	497671465	OEZNAWKTWRMEJB-DJJJIMSYSA-N	415.465	5.108	30	20	HKED	
CCOc1ccc(N(C(=O)c2sccc2C#N)c2nc3ccccc3s2)cc1	497988255	JKUYFDHSZJSYPW-UHFFFAOYSA-N	405.504	5.607	30	20	HKED	
Cc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)sc2ccc(C#N)cc12	498962686	AWMHBAFKGKNLDD-UHFFFAOYSA-N	417.881	5.044	30	20	HKED	
N#CCCCOc1cccc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1	500980409	KUEGXYZTZJQNHW-UHFFFAOYSA-N	417.484	5.302	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c2)cs1	501174526	WFNMRZVJASFYBS-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(F)c1F	501698172	DNDIHBGJVMSBNB-OAHLLOKOSA-N	408.473	5.620	30	20	HKED	
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc12	503844338	QJSZRTHAVROTNU-UHFFFAOYSA-N	424.529	5.197	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Cc2cccc(F)c2)n1)c1nc(-c2ccccc2)cs1	505427673	HRKLQZWFLCCJOG-KRWDZBQOSA-N	419.506	5.487	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)nc1	505923661	XAZOJYJAIJGGDX-IBGZPJMESA-N	423.259	5.047	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC1CCC(C#N)CC1	508375997	MYKCTLPMZVHBJW-UHFFFAOYSA-N	420.340	5.661	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ccccc2)CC1	510890570	SZCCRWLEDSCWFU-UHFFFAOYSA-N	412.493	5.013	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@@H]1C[C@H]1c1cccc(F)c1F	511706493	ZHLGWFUFKQFAIE-WOSRLPQWSA-N	421.312	5.090	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1-c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1	512031228	MPINZSZTASJQRQ-CYBMUJFWSA-N	405.273	5.537	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)Cc2cn(CCC#N)nc2-c2ccccc2)s1	512278628	QDDGMNZNQFUNOK-UHFFFAOYSA-N	416.550	5.629	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Cl)cc3Cl)c2)c1	515449634	YEMNSAGHFBLTPZ-UHFFFAOYSA-N	424.287	5.299	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1	515577398	WKYCCJNHDAVLOY-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12	516324093	SVJJAVAYQXUQRB-UHFFFAOYSA-N	414.465	5.489	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOc1cccc2ccccc12	517533159	TYAXCBYDGHEPEA-QGZVFWFLSA-N	405.523	5.435	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1cccc(Oc2ccccc2)c1	518263015	ILTSOISVFWCFRM-SFHVURJKSA-N	417.534	5.924	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2ncc(C#N)cc2Cl)C3)cc1	520243588	WGMOECBHOKADNV-UHFFFAOYSA-N	417.900	5.122	30	20	HKED	
CCCN(C[C@@H]1CCCCO1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	520720491	PGUZQRIXFYLVNV-NRFANRHFSA-N	408.567	5.272	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1sccc1C#N	525481969	UTOZSEABYNGNNK-UHFFFAOYSA-N	418.497	5.917	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2cc(Cl)ccc2s1	531203444	XWEGBDNGBFJPCL-HKUYNNGSSA-N	409.942	5.181	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C	537381078	KBGSRKPOWOSGRS-QGZVFWFLSA-N	412.946	5.820	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(c2c[nH]c3ncccc23)CC1	539198265	LESQGLWHPKHGHF-UHFFFAOYSA-N	405.864	5.159	30	20	HKED	
Fc1ccc(-c2cnc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)cc1	540944664	HQSKBLNRIAEMFE-KRWDZBQOSA-N	418.312	5.893	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)cc1	542565179	MJEVTSFDVRGBDT-XUZZJYLKSA-N	416.452	5.140	30	20	HKED	
COc1cccc(C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1	548406832	XXCLXNKNWHYIMG-QGZVFWFLSA-N	409.555	5.358	30	20	HKED	
CCOc1c(Br)cc(CN[C@@H](CCCC#N)c2ccccc2)cc1OC	552082804	DHJQOCYKCACNNR-IBGZPJMESA-N	417.347	5.381	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3cccnc3)c(F)c2)c(C(F)(F)F)c1	558491148	YAWPQAQQPSKUIT-UHFFFAOYSA-N	401.363	5.193	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C	558842540	BWFJBXKTLYVPKT-UHFFFAOYSA-N	420.444	5.324	30	20	HKED	
N#CC1(CCC[S@@](=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1	559228090	UGAJUKGWABLPGB-KDYSTLNUSA-N	401.959	5.279	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)cc1	560144615	CONCIHJXDMEGFS-UHFFFAOYSA-N	402.416	5.464	30	20	HKED	
C[C@]1(c2ccccc2)CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1	565141306	HHBNBWHFDTUHSR-SANMLTNESA-N	412.537	5.048	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c2ccccc21	568934478	FFAFHOFFHNAFTO-UHFFFAOYSA-N	417.900	5.096	30	20	HKED	
C=CCn1c(SCc2cccc(C)n2)nc2scc(-c3cccs3)c2c1=O	578279598	XIGZPJJEKOUMGW-UHFFFAOYSA-N	411.577	5.368	30	20	HKED	
N#Cc1csc(CN[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)n1	579294815	XUNVWWAKCVBESX-GOSISDBHSA-N	421.419	5.083	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccnc(Oc2ccccc2)c1)c1ccccc1	590065341	GLYIVGKRBYQCFQ-JOCHJYFZSA-N	400.482	5.108	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)cc1	603564262	UEBORZHRWQMQTN-UHFFFAOYSA-N	423.563	5.582	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)c2C#N)C1	603616060	WXIPMVVMFHWNHL-MRXNPFEDSA-N	421.566	5.298	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1ccc(C)cc1	603622678	BZXGMPQNCMPSMU-UHFFFAOYSA-N	423.476	5.054	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4ccc(F)cc4s3)c2)c1	603995379	IVAMVLLNWOGIGV-UHFFFAOYSA-N	415.449	5.417	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)c2C#N)C1	604466775	BLMNDUWZNHVYAU-CYBMUJFWSA-N	421.547	5.311	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)cc1	608470614	ZAJVOKPYHNAOJY-IBGZPJMESA-N	417.553	5.122	30	20	HKED	
C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(C)(C)C)cs1	609322421	HSYWGRQLJLCYPU-HNNXBMFYSA-N	420.538	5.987	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCCCOc1cccc(C#N)c1	609502241	RSIHOOFOLZVPGY-QGZVFWFLSA-N	419.550	5.417	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@H](c2nc3ccccc3s2)C1	609570956	ZJHWDQROOUJMHE-ZDUSSCGKSA-N	406.461	5.378	30	20	HKED	
C[S@@](=O)Cc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	609724639	FVKOESQONKWXSH-GDLZYMKVSA-N	424.909	5.135	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2)cc1	609988525	DJRCXOZZESQEIH-UHFFFAOYSA-N	420.476	5.217	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)N[C@@H](C)c4cccc(C#N)c4)CC3)c[nH]c12	610356738	YZIOUJMUEYVSBY-KRWDZBQOSA-N	400.526	5.252	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	613404475	OCPGOHAKFIZYMZ-INIZCTEOSA-N	411.408	5.596	30	20	HKED	
O=C(CCc1ccc(F)cc1F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	622485835	ZTXFQWLPRXJJBH-MRXNPFEDSA-N	411.292	5.336	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4Cl)cc3)nc12	674299378	MYSCYVMOQGHIRB-INIZCTEOSA-N	402.841	5.202	30	20	HKED	
CCOc1cccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1OC(F)F	678205815	AVLVBRWLVLBRDF-TXEJJXNPSA-N	421.328	5.249	30	20	HKED	
Cc1ncccc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	685572309	NRBPMSLKWAGRFI-CQSZACIVSA-N	416.287	5.821	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3ccc(-n4cncn4)c(F)c3)s2)cc1	727654116	HRBJETVZSYADNT-POHAHGRESA-N	404.470	5.043	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc2ccccc2n1C(F)F	727954747	TXNNIQIPFVDKJO-SYGIOELKSA-N	421.447	5.642	30	20	HKED	
Cc1ccccc1NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	727979566	ZYKAPCISDDGJKJ-UHFFFAOYSA-N	407.926	5.908	30	20	HKED	
CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1-c1ccccc1C#N	729850972	ZUOXODZWMRUGDJ-GOSISDBHSA-N	412.489	5.533	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1	730489168	FJWABTOFTLVPBT-UHFFFAOYSA-N	400.450	5.380	30	20	HKED	
C#CCCOc1ccc(CNCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1	733326850	FVEYVDWUCYWDKQ-UHFFFAOYSA-N	421.544	5.290	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)CC(C)(C)C)ccc1OC	733656032	GFEQPXOSFZBWBW-NRFANRHFSA-N	423.557	5.134	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=S)Nc3ccccc3C#N)s2)cc1	733755538	UPWVJMRLRKIHQJ-AWEZNQCLSA-N	408.552	5.046	30	20	HKED	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	734081116	DKSPOWRZOSNWFR-KXBFYZLASA-N	405.523	5.146	30	20	HKED	
N#C[C@H](C(=O)CC1CCC(c2ccccc2)CC1)c1nc(-c2ccncc2)cs1	734082485	CSPGMZABGMMDDR-CNBHCMJISA-N	401.535	5.745	30	20	HKED	
C=CC[C@H](NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccncc1	734237112	LFRIOHUUBBSZPG-LADGPHEKSA-N	422.981	5.991	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3cccc(Cl)c3)n2)cc1	737325506	HDIMQUBVJHBVTA-GOSISDBHSA-N	410.926	5.626	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	739589462	AFRCOGLXKHMHCC-HNNXBMFYSA-N	408.548	5.092	30	20	HKED	
C#Cc1ccc(C(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C(C)C)nc1	741969414	BIEPNXFVUMTSNG-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-c3cccnc3)cc2)cc1	743096207	OHUURYXINAULFG-AREMUKBSSA-N	418.500	5.726	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)cc1	747150171	CZSTYCGVHXJACC-RQZCQDPDSA-N	424.312	6.326	30	20	HKED	
Cc1nc(C(C)C)nc(O)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	747360464	NZDYDHFJTWAQOF-GOSISDBHSA-N	420.900	5.175	30	20	HKED	
COc1ccccc1-c1ccc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)cc1	758024047	BDFAMFLRMHXWNN-FLIBITNWSA-N	407.516	5.364	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1cccs1)Cc1ccccc1OC)c1ccncc1	760170186	KGYWBEDXVDBIJW-OAQYLSRUSA-N	407.539	5.181	30	20	HKED	
C=CCn1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1	763233275	RPWBQMTWKNESGC-NRFANRHFSA-N	418.566	5.126	30	20	HKED	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	765910871	VSJQUWVGNSHNSP-GAZXMLTASA-N	417.484	5.115	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](C(=O)[C@@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CO2	770847633	FUKKEJBITBBEFD-CABCVRRESA-N	410.445	5.058	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1	771275384	CSWXUAAUIUBNFU-JOCHJYFZSA-N	421.456	5.184	30	20	HKED	
N#C[C@H](COC(=O)CCC(=O)c1cc(Cl)sc1Cl)Cc1cccs1	772734808	QNXVCICVPKDWRD-SNVBAGLBSA-N	402.324	5.005	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)CCN1c2ccccc2Sc2ccccc21	780159554	JMRHDDSOZHDFNF-QGZVFWFLSA-N	415.518	5.609	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CCC2	780423981	VWYVLAABTNLKSY-QFIPXVFZSA-N	415.497	5.327	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CCC2	781050391	XJQXORBPFNJIKO-NRFANRHFSA-N	418.472	5.074	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1	782778009	NNTBWKYSRBNZHS-GDLZYMKVSA-N	414.571	5.276	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1	783340938	LFSQWRICKWOHDG-SFHVURJKSA-N	406.507	5.315	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)Cc1ccccc1CC#N	784107609	PDUCDBRVVOBZQG-UHFFFAOYSA-N	415.493	5.658	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1	793124411	OMSRCIJSGNYIOW-MRXNPFEDSA-N	419.377	6.026	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(COc3ccc4ccccc4c3)o2)CCOCC1	800078884	IVCMHDFWFPRARR-UHFFFAOYSA-N	419.477	5.269	30	20	HKED	
O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccc(C(F)(F)F)cc1	812599398	ZZJSUANMZOLDCY-UHFFFAOYSA-N	412.232	5.042	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cs1	901378547	LSUDVGYUBOPESN-UHFFFAOYSA-N	409.294	5.157	30	20	HKED	
CC(=NOCc1coc(-c2cccc(F)c2)n1)c1nc2ccccc2n1C(F)F	914572159	BXLPLFJKHRFNFM-UHFFFAOYSA-N	400.360	5.166	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1	915087509	UOMUHSWVXFTVBA-GOSISDBHSA-N	411.288	5.666	30	20	HKED	
C(=NNc1nccc2sccc12)c1cn(Cc2ccccc2)nc1-c1cccnc1	915980470	WYFQFCBSKBPJSR-UHFFFAOYSA-N	410.506	5.049	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1	916905544	DOJZXNAIOUUXPV-VGSWGCGISA-N	420.553	5.224	30	20	HKED	
N#C[C@@H](C(=O)CCSc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1	916910564	TUECWGXIQNWRIK-FQEVSTJZSA-N	416.502	5.309	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(C)n1[C@@H](C)c1ccccc1	918633921	GXMPKFCCNPAQBS-IBGZPJMESA-N	401.510	5.649	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2cc(F)ccc2Oc2ccc(C)cc2OC)cc1	920041618	ILACTVBIEGTZDB-UHFFFAOYSA-N	408.429	5.168	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc2ccccc2c1	920101779	IIKKUWTZVAWJGP-OAQYLSRUSA-N	408.457	5.184	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1	921280538	KOYXSPXZMPHEDA-GOSISDBHSA-N	409.258	5.496	30	20	HKED	
Cc1cccc(C)c1CCn1c(CC2CCCC2)nnc1N(CCC#N)CC1CC1	1707576659	ZLQHAMBIPHHBSJ-UHFFFAOYSA-N	405.590	5.000	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCSC3)CCC2)cc1	1789455646	YYHPORKBSJZFAY-GHTZIAJQSA-N	412.599	5.032	30	20	HKED	
C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1	1792126647	IQHBFJODHVKPNF-RZILIURJSA-N	413.521	5.194	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2Cl)CC1	1823753969	SLNPCIQRTYHWOD-IBGZPJMESA-N	420.981	5.159	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(CC)cc2)cc1	10173446	ZIONRICKKDGDQB-UHFFFAOYSA-O	417.598	5.767	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)s1	22733144	VLSVUFKDNAPVTM-UHFFFAOYSA-O	422.382	5.702	30	20	HKED	
CC(C)c1ccc([C@H](NC[C@H](O)COc2ccc(CC#N)cc2)c2cccs2)cc1	23678340	YMERYWRJBWGRAO-DHLKQENFSA-N	420.578	5.056	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(SC(F)(F)F)cc2)S1	24586676	ZEXIRNCVPJMSHG-XNTDXEJSSA-N	408.470	5.807	30	20	HKED	
C=CCn1c(C)nn(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1=S	27534619	UMTJFLFNTWTUEV-UHFFFAOYSA-N	420.007	5.009	30	20	HKED	
COC(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C	29159116	OIKGOIKYRLGAHZ-UHFFFAOYSA-N	402.475	5.057	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(OCc2cccnc2)c1	46598193	OSOPVXDEQSOJBK-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)s2)o1	51656390	TZACHXJOJIYDAJ-LBPRGKRZSA-N	412.421	5.255	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1c(F)c(F)cc(F)c1F	410422338	YAIADIJUCDDEGK-UHFFFAOYSA-N	401.665	5.090	30	20	HKED	
CC(C)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccnc1	434343765	HXZQUVTZCMUEHE-QHCPKHFHSA-N	415.562	5.415	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	436150491	CJYUKVKVZNFXLG-UHFFFAOYSA-N	403.825	5.706	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1F	437467887	NUENUFCPQYAHRR-UHFFFAOYSA-N	408.404	5.209	30	20	HKED	
Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C2CCCCC2)n1	437501296	SNDZNYAZYOBTCY-UHFFFAOYSA-N	418.472	5.523	30	20	HKED	
C=CCC[C@@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)c1ccc(C(F)(F)F)cc1	441591616	PQZFHSPVIATNTB-VBKZILBWSA-N	407.480	5.058	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@H]1CCN(CC)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1	442286386	SWZHJABPPYUJGC-VDGAXYAQSA-N	411.512	5.227	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(F)cc1	464407797	QLJYGRVQKHWDEL-MRXNPFEDSA-N	416.378	5.039	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464411156	LALPBSXZJJMIKP-CYBMUJFWSA-N	405.763	5.207	30	20	HKED	
CCCn1c(C)c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c2cc(OC)ccc21	464475077	UHQBVGUJHOKWDQ-KRWDZBQOSA-N	415.415	5.272	30	20	HKED	
O=C(COc1cccc(F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474265884	NXJFOKRXIXWDTG-OAHLLOKOSA-N	409.301	5.033	30	20	HKED	
C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cc2cccc(F)c2o1	475085336	BAVITTYVMAYLIE-AWEZNQCLSA-N	404.397	5.107	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	475525392	JSIOVFAXLPQUJR-CVDCTZTESA-N	416.500	5.357	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12	477512847	UJRPRCDMQMRZGA-AREMUKBSSA-N	405.501	5.642	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)c1ccc(F)c(F)c1	478923388	NYFTXNBLGCQPGQ-OAQYLSRUSA-N	404.432	5.136	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	483218666	HTQDLWKVUIQURH-DDTOSNHZSA-N	400.338	5.192	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	484201777	WUKONDDFFJXGSC-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
C=C[C@H](CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1	486886156	WEOVHWTTYJRAHY-QGZVFWFLSA-N	403.444	5.187	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc([C@@H](C)OC)nc2C)cc1	487716061	DMBICUQDXOOIGN-CQSZACIVSA-N	423.494	5.084	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CSc3ccc(Br)cc32)cc1	487863938	WBLWOSYSXYCGMP-INIZCTEOSA-N	416.344	5.219	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4nccc(C)c4c3C)n2)cc1	490735713	VRGOMAFHYZOFIG-MRXNPFEDSA-N	419.531	5.535	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccc(Cl)cc2)cc1C	491089639	UXLWAKNPRRVUOR-UHFFFAOYSA-N	406.917	5.006	30	20	HKED	
N#Cc1ccc(-n2nccc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	498022632	HDHUAQOEULHJCD-UHFFFAOYSA-N	413.289	5.518	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)c1ccccc1	498253521	RAIIKZNOGJCGLL-LEWJYISDSA-N	416.468	5.078	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1	505355890	OCSUNNCKMGZDGX-QMHKHESXSA-N	406.432	5.028	30	20	HKED	
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C#N)cc1	509109409	JCJXDVMVVGGLID-NRFANRHFSA-N	412.533	5.159	30	20	HKED	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	509550006	RZOFHKIISMANSE-UHFFFAOYSA-N	403.448	5.949	30	20	HKED	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	510339642	GBPCCMCQSKLIHA-GFCCVEGCSA-N	411.811	5.378	30	20	HKED	
CN(C(=O)NCC(C)(C)CCC#N)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	513119095	UEURISRYNMDWBW-UHFFFAOYSA-N	418.368	6.054	30	20	HKED	
CC(C)(C)n1cc(CN(CCC#N)Cc2ccccn2)c(-c2ccccc2Cl)n1	513746064	NGCRTGJNXAXNLI-UHFFFAOYSA-N	407.949	5.269	30	20	HKED	
COc1ccc(CSc2nnc(SCc3ccc(C#N)cc3F)s2)cc1	515175081	PKSCJHDWMJBLMI-UHFFFAOYSA-N	403.529	5.142	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnc(-c2ccccc2F)s1	516337196	YYSHZMAPGSRKQU-UHFFFAOYSA-N	405.479	5.802	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1C(C)(C)C	516713808	KAZAUHUYKIBLFW-QGZVFWFLSA-N	417.538	5.247	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C#N)c2ccccc2n1)c1cccc(C(=O)c2ccccc2)c1	517431441	KMYPTAIOLXNEBU-QGZVFWFLSA-N	405.457	5.080	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCCCC1	518256295	VBQHCGBZLADQGK-IBGZPJMESA-N	422.598	5.388	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(OC(F)F)c1	518656489	YKZGUQNNWZLFEY-AWEZNQCLSA-N	422.522	5.554	30	20	HKED	
N#C[C@@H](C(=O)c1sccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1	520658260	CRMLCTHPAVIEFL-NSHDSACASA-N	410.854	5.616	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CC#N)c3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1	521728598	HTJDWMXFPXFJBW-UHFFFAOYSA-N	413.481	5.059	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccccc1)c1ccccc1	521733186	AMTPXPIAAVRHTO-JPYJTQIMSA-N	402.519	5.697	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	522071647	ZIMWYCGUQYBMRQ-QGZVFWFLSA-N	423.438	5.725	30	20	HKED	
COc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	522471520	WMORJJQOGFUKSR-SFHVURJKSA-N	417.484	5.179	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C	523630080	RHRNDJHVYWTPCB-UHFFFAOYSA-N	413.522	5.064	30	20	HKED	
COc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(OC)cc1Cl	524493492	UQEYLNXWTZLCKK-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	532473984	FANBMXOZVSJDMC-CVEARBPZSA-N	401.963	5.366	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1	532581395	WMHKDTXTLGXAQN-AEFFLSMTSA-N	413.974	5.162	30	20	HKED	
N#CCc1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1	534620026	IZQAARKOPROLOH-UHFFFAOYSA-N	424.382	5.015	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)C[C@@H](C)C#N	535168125	RVTZGOIQNPQAMG-LBPRGKRZSA-N	411.358	5.116	30	20	HKED	
C=C[C@H](CC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1	535397601	FBNPGZGFVCPWJL-QGZVFWFLSA-N	409.917	5.489	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl	535850921	WNHOTQSVSISSQM-OAHLLOKOSA-N	407.926	6.049	30	20	HKED	
COc1ccc(OC)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1	536385564	IIXZKUZJJNFVTB-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(C#N)cc1	536427188	SOERIQJGYYTBJI-UHFFFAOYSA-N	401.853	5.542	30	20	HKED	
CC(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1	536813566	CPXGIEWPVAYEPV-VCOUNFBDSA-N	411.933	5.321	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)s1	543487391	NDNGAYNDCKXAQB-KBPBESRZSA-N	407.992	5.475	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3cccc(Cn4ccnc4)c3)no2)c2ccccc21	545570310	TVFDMVGUZTVXBW-KTKRTIGZSA-N	420.476	5.020	30	20	HKED	
Fc1ccc([C@H](NCc2cc(F)c(C(F)(F)F)cc2F)c2cccnc2)c(F)c1	554090843	ZVFKFNMAVCJFBR-LJQANCHMSA-N	414.324	5.536	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Br)c1C	554224873	RIFRCXHOFCQVPG-UHFFFAOYSA-N	405.340	5.145	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OC4CCCCC4)CC3)cc2)c1	557728163	PKOUQLLDDSLKFQ-UHFFFAOYSA-N	419.525	5.696	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1	561353693	NWVSBAUZBQBOOY-LJQANCHMSA-N	420.509	5.522	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)nc2ccccc12	565106663	TYOTXRQNUWRVKF-UHFFFAOYSA-N	404.882	5.065	30	20	HKED	
N#CC1(c2ccc(-c3nc(-c4ncoc4-c4cccc(C(F)(F)F)c4)no3)cc2)CC1	569889631	OPUBTXYGAWGWRD-UHFFFAOYSA-N	422.366	5.633	30	20	HKED	
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	570608634	GOHKAGUSJBACGC-ILRDRHFLSA-N	420.479	5.168	30	20	HKED	
CC(C)OCc1ccccc1-c1noc(C2CCN(c3ccc(C#N)cc3F)CC2)n1	580009191	YQNGKKFJSOTDAQ-UHFFFAOYSA-N	420.488	5.056	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1	583457362	AKRXFQJSEGJBHR-WNYOCNMUSA-N	415.946	5.386	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)sc2nc(C(F)(F)F)ccc12	603559183	YRLZAKLQSOTQMY-UHFFFAOYSA-N	417.456	5.546	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1C(F)(F)F	603969004	UFTRVWAAUDYFJA-UHFFFAOYSA-N	402.397	5.323	30	20	HKED	
CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ncccc2C#N)cc1	603976377	NDGPKJIVFUUAAI-INIZCTEOSA-N	407.495	5.060	30	20	HKED	
Cc1ccc(OCCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	604003982	NWSNBWBDVNDUGW-UHFFFAOYSA-N	414.505	5.438	30	20	HKED	
CC(C)OCc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	604460606	HPLNQFMXHZFLRO-UHFFFAOYSA-N	415.493	5.597	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCO[C@H](c2ccccc2)C1	609230584	MKMWBHSRYFEEMY-QFIPXVFZSA-N	414.530	5.313	30	20	HKED	
CCOC(=O)c1sc(NC(=O)[C@@H](CC)Oc2ccccc2C(C)C)c(C#N)c1C	609261302	KUXLWHVNFZLQFJ-QGZVFWFLSA-N	414.527	5.024	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F	609398861	ZKCGIJVQCNOJSJ-KBPBESRZSA-N	407.461	5.840	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCc1nc(C2CCCCC2)cs1	609489738	HICFYSOPWAZUQR-UHFFFAOYSA-N	415.562	5.702	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1SCC(F)F	609932850	POXXOUTUQHVTTC-UHFFFAOYSA-N	421.900	5.789	30	20	HKED	
C[C@H](Cc1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	609968686	YVYBLKXEMIUQGO-GOSISDBHSA-N	402.469	5.288	30	20	HKED	
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1	609997305	JDWBBQWYMXVSRW-HFZDXXHNSA-N	417.553	5.022	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)c1C	610053542	AZOJSRGRYFIJGD-LJQANCHMSA-N	412.415	5.036	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(COC4CCCC4)cc3)o2)cc1	610054854	ZVXHRYCTBHFBKN-UHFFFAOYSA-N	416.477	5.442	30	20	HKED	
N#Cc1ccc(CCC(=O)NCc2ccccc2COc2ccccc2Cl)cc1	610203414	NJRGVKKDLJLABJ-UHFFFAOYSA-N	404.897	5.040	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1	611127132	YDSRAXCTSOXCPA-PKTZIBPZSA-N	416.550	5.099	30	20	HKED	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NCC(C)(C)C#N	611621402	RJGIMNDUBSWWPN-UHFFFAOYSA-N	407.493	5.403	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cnn1-c1cccc(Cl)c1	613292852	ZJSXQJGASGSCQP-LJQANCHMSA-N	414.896	5.687	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nc2cc(Cl)ccc2s1	613407050	FWNBLIHOWUVJHQ-INIZCTEOSA-N	418.909	5.503	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCC1CCC(C#N)CC1	619660365	FQFRHZPKUZMUPC-UHFFFAOYSA-N	407.461	5.197	30	20	HKED	
C=CCn1c(SCc2c(Cl)ccc3cccnc23)nnc1-c1ccc(F)cc1	643093937	GKSGZWIQLJDGLI-UHFFFAOYSA-N	410.905	5.764	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)c2ccccc2c1)c1cc(C(F)(F)F)ccn1	645980311	OHXCKBQZLZPGKA-OAHLLOKOSA-N	419.200	5.506	30	20	HKED	
O=C(c1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	681136968	FINBUVLEJPKJGJ-AOOOYVTPSA-N	413.667	5.172	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1	726500529	BEGZLUMHRQZSBO-UHFFFAOYSA-N	408.457	5.958	30	20	HKED	
Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)c1	730459986	REQBKSUEMSECLS-NRFANRHFSA-N	421.566	5.125	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCc3nc(-c4ccsc4)no3)cc2)cc1	732377867	YDSCIABMAGALGD-UHFFFAOYSA-N	417.446	5.013	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)c1nc(-c2ccncc2)cs1	734081766	RDKLSPPENZWCCC-IBGZPJMESA-N	401.516	5.327	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1	734706466	JFSNNTBBNQRUHN-CYBMUJFWSA-N	421.374	6.332	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)[C@@H](Oc1ccccc1)c1ccccc1	735344258	GKLDTGQVTQNTLU-QFIPXVFZSA-N	407.853	5.106	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1	739154809	FIGYCJUECULHQC-KDOFPFPSSA-N	414.452	6.199	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2Cl)cc1	740436845	HKXODOWKLJUVIO-JOCHJYFZSA-N	421.884	5.162	30	20	HKED	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)Cc1ccc(OCC#N)cc1)CCO2	741802009	QAKMZJRUIFWRJC-RUZDIDTESA-N	414.505	5.124	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SC)c(F)c2)ccc1OCC(F)(F)F	741847888	SDWSMHLAKQTQTG-UTCJRWHESA-N	400.393	5.393	30	20	HKED	
CCN(C)c1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1	748442837	YLKQFUJYUIJZBB-ZROIWOOFSA-N	423.513	5.319	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc4ccccc4n3)n2)cc1	752173463	DQXPZTQZTVYNHY-YVNCXZRQSA-N	406.470	5.120	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1	752476612	WCYUIWMTVCKPNF-INIZCTEOSA-N	402.853	5.551	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(F)cccc3C2)cc1Cl	757881025	XTMRUQLXARGYHR-NRFANRHFSA-N	419.887	5.725	30	20	HKED	
N#Cc1cc(N[C@H](Cc2ccccc2F)c2ccccc2)ccc1N1CCC(O)CC1	759997716	KGTGJCXSHNAYGO-RUZDIDTESA-N	415.512	5.054	30	20	HKED	
N#Cc1ccc(CN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)C2CC2)cc1	761887125	KMALWCZJLOJMQP-YBFXNURJSA-N	404.819	5.349	30	20	HKED	
CC(C)c1ccc(/C=C\CC(=O)OCC(=O)Nc2ccccc2SCC#N)cc1	763783989	YTRWYPNLPSNAQP-WAYWQWQTSA-N	408.523	5.011	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(Oc2ccccc2Cl)nc1	774313651	UQHMGZVIHQTRLK-MRXNPFEDSA-N	414.795	5.097	30	20	HKED	
C[C@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1cccc(C#N)c1	775335704	PEYZMUDJPOHLAO-VIFPVBQESA-N	417.123	5.461	30	20	HKED	
N#CCC[C@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1	776252874	IPWYIRAFDUQTDI-INIZCTEOSA-N	424.136	5.052	30	20	HKED	
C=CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl)c1ccccc1	778559718	TVYRRAJXZHHBAS-XJKSGUPXSA-N	407.297	5.009	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC2CCC2)c2ccccc2)ccc1OC	779350885	GZEYNFUTXLADJM-YADHBBJMSA-N	421.541	5.107	30	20	HKED	
C[C@H](CN(C)C(=O)c1ccccc1SCC#N)Oc1ccc(Cl)c(Cl)c1	787522401	YPLAPKFPLSCLAP-CYBMUJFWSA-N	409.338	5.149	30	20	HKED	
C#CC[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1	788817523	DLYLGJAKDJZLQP-FYYLOGMGSA-N	416.500	5.217	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	790624410	ZKURBPJZHRQEDW-ZHRRBRCNSA-N	418.459	5.254	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(=O)c2ccc(F)cc2o1	794816609	LDNCSZFIIFQSSY-UHFFFAOYSA-N	419.252	5.222	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cs1	797156630	JFGLBYQLFDCHAI-HJWRWDBZSA-N	416.955	5.794	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	797613964	PIPIYBHVQGHJKZ-DHIUTWEWSA-N	413.525	5.318	30	20	HKED	
COc1ccccc1CONC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	798536847	USKDRUSWVNHYJV-FQEVSTJZSA-N	421.884	5.257	30	20	HKED	
C[C@H](c1ccccc1)n1c(Sc2nc(Cl)c(C#N)s2)nnc1-c1ccccc1	804359556	WBJNCUKYPVOZSN-CYBMUJFWSA-N	423.954	5.687	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C)Cc2cncc3ccccc23)cc1	805918690	AMRIUTOFHASCAB-SFHVURJKSA-N	402.494	5.062	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccc(Cl)cc1F	806273529	CQSIDWXFQFQGPR-GDJIYFAZSA-N	420.937	5.022	30	20	HKED	
COc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1NC(=O)OC(C)(C)C	810149108	YGGRRZWRCLMXSD-UHFFFAOYSA-N	421.419	5.545	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1	814816004	HJKAFJLZEYFSSS-UHFFFAOYSA-N	413.477	5.031	30	20	HKED	
Cc1cc(C)cc([C@H](OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C(F)(F)F)c1	815999024	MRPRTIAFGYDLGO-HNNXBMFYSA-N	402.294	5.049	30	20	HKED	
Cc1nc2sccc2c(=O)n1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1	818264249	OGMSUCKBEBDKEB-UHFFFAOYSA-N	419.453	5.396	30	20	HKED	
CC(C)n1ncc2c(C(=O)N(O)Cc3cccc4ccccc34)cc(C3CC3)nc21	901370903	NTUSOOYICVQBBH-UHFFFAOYSA-N	400.482	5.074	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)cc1	915353478	NTHOETNMDGMCEY-JWQCQUIFSA-N	411.505	5.623	30	20	HKED	
Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	916074111	LUYVVGUCTLGLFS-UHFFFAOYSA-N	402.435	5.023	30	20	HKED	
N#C[C@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc2ccccc2s1	916627282	KFTHFEHOZQBVKP-TXQCQQFXSA-N	404.491	5.914	30	20	HKED	
COc1ccc2oc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2c1	916974809	RJHWAPUVTQAJSA-GOSISDBHSA-N	402.475	5.672	30	20	HKED	
COc1cc(/C=C/C(=O)c2c[nH]c3ccccc23)cc(Br)c1OC(F)F	917146404	ZQRLWDCNJSUCNX-VOTSOKGWSA-N	422.225	5.437	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)c1	920105319	BIPBKINHSHDEKG-IBGZPJMESA-N	413.502	5.043	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	920105771	LUHRYCUFCDIAMG-HXUWFJFHSA-N	409.489	5.432	30	20	HKED	
N#Cc1ccccc1OCCOC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	921224494	PZXRWHKCPZAPFN-UHFFFAOYSA-N	419.289	5.224	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](CC)c4ccccc4)CCC3)cc2)C1	1785807005	BRGZEDNPRQABLW-QHCPKHFHSA-N	402.538	5.281	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cccnc34)CCC2)cc1	1791247669	FRIZCQQKMDSZES-GOSISDBHSA-N	413.521	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)C2	1798592828	KEKMEJQLNLRSAI-WKPBDKHMSA-N	414.634	5.224	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(F)cc1	10829050	DLXQOZVDJJGDGI-UHFFFAOYSA-O	421.561	5.652	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccccc1C	11168421	RENDFZMTBHZRNL-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc3c(c2)CCCC3)s1	22695893	MVZCRARBQNAXQI-UHFFFAOYSA-O	421.611	5.582	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1	65776522	MFPHUZRPKXSUOO-UHFFFAOYSA-N	410.970	5.187	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3cnco3)cc2)cc1	147394541	PMKAVJUCOIDGFM-UHFFFAOYSA-N	411.486	5.758	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC3(C#N)CCCCC3)cc12	302357741	BSFVSECLQLQIOL-UHFFFAOYSA-N	412.946	5.064	30	20	HKED	
Cc1cc(-c2cc(C(=O)NC3(C#N)CCCCC3)c3cnn(C(C)C)c3n2)c(C)s1	302926309	BRLXJKAOFPYFJX-UHFFFAOYSA-N	421.570	5.314	30	20	HKED	
Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	303846924	UGWFKKZEUJOLEM-QGZVFWFLSA-N	419.550	5.568	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2ccc(COCc3ccccc3)cc2)c(Cl)c1	426148747	MVGRBOROEALRSF-UHFFFAOYSA-N	405.885	5.250	30	20	HKED	
C[C@@H](Nc1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1	426185335	XOPXCASYBAUSHE-OAHLLOKOSA-N	424.932	5.170	30	20	HKED	
Cc1cc([C@H]2CCCN2C(=O)C[C@@H](CC#N)c2ccccc2)ccc1Br	431131193	ZLRMCEYVBQUALW-WIYYLYMNSA-N	411.343	5.509	30	20	HKED	
C[C@H]1C[C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1Cc1ccccc1	431215771	ICMWIZKCSHZFBX-ZVDOUQERSA-N	422.598	5.255	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ncnn3C(C)C)n2)o1	432540500	ICIGOTWTPCNSLE-UHFFFAOYSA-N	407.421	5.005	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCc2sc(Cl)cc21	433148248	QRFSPZQLGLHDMK-GXTWGEPZSA-N	405.976	5.995	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1nccc2ccccc12	433205280	KHIFHDLVHRGVJT-XMMPIXPASA-N	401.469	5.728	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1	435386148	VLKXTOMDWPNBFP-UHFFFAOYSA-N	413.905	5.236	30	20	HKED	
C=CCC[C@H](NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccccc1	435761759	GUNKPPZYJFRKKO-QHCPKHFHSA-N	422.529	5.316	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	436389105	NEBBIQIPLIIWFI-NWDGAFQWSA-N	424.307	5.729	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](CSc2ccccc2)C1	438051235	QKVMLSLECXILES-MSOLQXFVSA-N	411.596	5.584	30	20	HKED	
COCc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1F	438660151	JWMPHXNICFQPBM-UHFFFAOYSA-N	423.419	5.097	30	20	HKED	
N#Cc1ccc(CSCc2nnc(-c3ccccc3Cl)o2)c(OC(F)F)c1	439548690	YRXNYJKROFVTJH-UHFFFAOYSA-N	407.829	5.296	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)NCC2CCC(C#N)CC2)nc1-c1ccccc1	442742184	XBNVYBUKLHGLCW-GRERDSQWSA-N	420.557	5.641	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3sc4c(c3C#N)CCCCC4)s2)cc1	443811798	BUFIMPNEMQUXLQ-UHFFFAOYSA-N	409.536	5.273	30	20	HKED	
C=CC[C@H]1N(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCC1(C)C	443868264	NEYNXQJGWNKLFN-HTAPYJJXSA-N	422.529	5.370	30	20	HKED	
CCCc1c(NC(=O)C2CCC(C(F)(F)F)CC2)cnn1-c1cccc(C#N)c1	444278219	BIVDGPVRCBZKNN-UHFFFAOYSA-N	404.436	5.004	30	20	HKED	
C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(Cl)c2ccccc12	462838600	KTYHTTPRNDXPQF-INIZCTEOSA-N	419.912	5.351	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H]2CCOc3c(F)ccc(F)c32)c1	463039108	XPBRVHKBWJGIII-JOCHJYFZSA-N	406.432	5.029	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	464422461	QKFKKJXUFINXCD-AWEZNQCLSA-N	419.790	5.043	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	464667080	UQFLRWCTLFDIAQ-UHFFFAOYSA-N	406.301	5.237	30	20	HKED	
CC#CCCCC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	466435422	YMCDTXBRGJTBLU-CYBMUJFWSA-N	405.361	5.252	30	20	HKED	
N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3c3cccc(C(F)(F)F)c3)o2)c1	469512911	YOZIVINXVIBPOV-LJQANCHMSA-N	412.415	5.354	30	20	HKED	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	470122698	BNKHVWAPHOSCDR-SFHVURJKSA-N	406.379	5.293	30	20	HKED	
CC(C)(C)c1cnc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1	472688964	VXLZEHDONBXYRL-GOSISDBHSA-N	422.916	5.603	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	472754660	RNMONWHQXPEORQ-QZTJIDSGSA-N	416.550	6.026	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(-c2cccnc2)cc1	474753015	RIHBHWJDLLQOAA-GOSISDBHSA-N	420.472	5.299	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	474781916	DOFUDBKMRKIZBG-UHFFFAOYSA-N	424.460	5.524	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)cc1	474902592	ZDHLLCSQSMJBTI-UHFFFAOYSA-N	416.565	5.421	30	20	HKED	
COc1cc([C@@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OC1CCCC1	474911200	UJPLASGQZXROMU-QGZVFWFLSA-N	406.526	5.309	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1	476794691	OLTJICAIXIZRBD-UHFFFAOYSA-N	408.498	5.298	30	20	HKED	
CC(C)(C)C(=O)c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1	477189208	PKJMZESXJNBVJW-UHFFFAOYSA-N	423.488	5.001	30	20	HKED	
CC(C)(CCC#N)CNC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1	485325598	YRVPJIBRRCMFNL-IBGZPJMESA-N	414.347	5.168	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1	486492187	WVVLGQSUYFRQBB-UHFFFAOYSA-N	413.546	5.293	30	20	HKED	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1)O[C@@H](C)C2	487456601	VBKANDRDRLSDTG-NWZJSZKRSA-N	418.537	5.064	30	20	HKED	
N#CCCC[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)c1ccccc1	487457102	XPKHEECEWCHDEN-SFHVURJKSA-N	410.315	5.024	30	20	HKED	
C=C(C)COc1cc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)ccc1OC	488941415	XWUMVAZOTASTPH-HMAPJEAMSA-N	402.450	5.542	30	20	HKED	
CC(C)CCn1ncc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C(C)C	490489097	UPSYWRPLQDMHJR-UHFFFAOYSA-N	420.513	5.349	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCCC12CCOCC2	502227910	MVYQQCHNYZUTKF-QFIPXVFZSA-N	405.498	5.130	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	504468166	CDAGKWSMXCIEEV-AWEZNQCLSA-N	417.987	5.984	30	20	HKED	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c12	507933115	BANGZVGSPTTYIQ-UHFFFAOYSA-N	423.476	5.070	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(F)cc2F)cc1	508276983	YBKYTUHHQCEPNK-UHFFFAOYSA-N	423.419	5.301	30	20	HKED	
C=CCC[C@@H](NC(=O)c1coc(C2CCOCC2)n1)c1ccc(C(F)(F)F)cc1	509186908	OLOKAZKYYKLDPM-QGZVFWFLSA-N	408.420	5.025	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3Cl)c2)cc1	509908670	DWLQJMPZXFBJKF-UHFFFAOYSA-N	405.885	5.307	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1nc2cc(Cl)ccc2s1	515593795	UKCAEUKZFQPACY-UHFFFAOYSA-N	415.902	5.005	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)s1	515713056	DNYIPDRCQDZQOG-UHFFFAOYSA-N	408.527	5.437	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1	517493320	BAQGQNFRKRVPJX-FQEVSTJZSA-N	407.901	5.216	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1	517781202	NFBVTOZLODYNNT-SANMLTNESA-N	423.516	6.014	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	517836477	WCSVAMSHEJVLRA-UHFFFAOYSA-N	408.502	5.398	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Cl	518115960	KCNPGKNNDAGHDC-NSHDSACASA-N	401.340	5.046	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccccc2F)o1	520923989	CMNZQCKLVBVVDQ-HNNXBMFYSA-N	409.486	5.446	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2N2CCCCC2)CC1	522075704	XRSLUORIBXEVOL-UHFFFAOYSA-N	418.541	5.060	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C	523768048	CZKZGRUTKLKGIE-KNQAVFIVSA-N	411.505	6.069	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc3sc4ccccc4c3s2)c1	524379747	VGGUWRHVFSGCSC-UHFFFAOYSA-N	400.431	5.841	30	20	HKED	
N#Cc1nnc2ccccc2c1NCc1ccccc1-c1ccc(Cn2ccnc2)cc1	524842882	ZQTPGWKLPDXQLG-UHFFFAOYSA-N	416.488	5.025	30	20	HKED	
N#Cc1ccc(-c2nnc(COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)o2)cc1	525624425	YMZGOCGFZFSKOE-UHFFFAOYSA-N	415.836	5.072	30	20	HKED	
CCC(CC)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C	534563830	UNIIONICMXCSCZ-UHFFFAOYSA-N	420.488	5.395	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(C(C)(C)C)no1	535598896	NZXDOXOGHDYDFC-CYBMUJFWSA-N	424.888	5.175	30	20	HKED	
Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)n1C	536205759	YKBYDUYMFIJFDE-GFCCVEGCSA-N	412.927	5.210	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NCCC(=O)Nc3sccc3C#N)cc2)c1	537099880	UIOLIPNVCQPJOE-GOSISDBHSA-N	419.550	5.187	30	20	HKED	
O=C(Nc1ccccc1CC(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1	537200315	LIEDVEGHOLKWCN-UHFFFAOYSA-N	411.273	5.247	30	20	HKED	
O=C(C[C@H]1CCCO1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542156031	ZGETWHWTMFJMIN-YPMHNXCESA-N	423.275	5.013	30	20	HKED	
CC(C)(C)Oc1c(F)cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1F	542982331	ZYZCJMODZJGBSC-UHFFFAOYSA-N	423.419	5.453	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ncc(-c2ccccc2)o1	544467053	QOSTXXVXCALIGR-DLBZAZTESA-N	420.538	5.025	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	548884055	IYQQAHUTHKHYIT-IBGZPJMESA-N	401.510	5.662	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1)[C@H]1C[C@H]1C	554661019	XGTZNOCQMXPXJM-NSYGIPOTSA-N	424.504	5.315	30	20	HKED	
CC1(C#N)CCN(c2nnc(Cc3cccc4ccccc34)n2Cc2ccccc2)CC1	558927296	FPNYZQXCOQQKND-UHFFFAOYSA-N	421.548	5.200	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	559361456	HGZISINXZUFKQX-OAHLLOKOSA-N	417.421	5.010	30	20	HKED	
CCOc1ccc(SCC(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1	578926676	XJKXIIQBMORUMZ-UHFFFAOYSA-N	402.519	5.282	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]2CCCC[C@H]12	580114649	CTJLRHDQCFHVFP-IHLLOCCUSA-N	403.526	5.374	30	20	HKED	
Cc1ccccc1Cc1nnc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1	580245928	IUGFJWFGZQXMSN-IBGZPJMESA-N	408.505	5.358	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)cc2)ccn1	583964491	NTZCNYXPDAXZPJ-HSZRJFAPSA-N	413.481	5.290	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	586783617	CJKYWCNBIWRELV-IAZYJMLFSA-N	404.301	5.655	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(OCc2cccnc2)cc1	589504881	WZWIPLXMGLSBLC-INIZCTEOSA-N	411.427	5.402	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nn1C(C)(C)C	603756004	BWOBSVDNQNBZCG-UHFFFAOYSA-N	403.486	5.073	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1Cl	603766022	JPHHULXJTUTOBS-QGZVFWFLSA-N	419.893	5.964	30	20	HKED	
COc1ccc(SCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1	603992284	PDVHPVWMHBGAPT-UHFFFAOYSA-N	406.532	5.125	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nnc(-c2ccccc2)s1	606759769	SCPDLKASPNBARK-UHFFFAOYSA-N	405.401	5.041	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1	608935817	FUIMVTCUBJEQSN-UHFFFAOYSA-N	400.444	5.293	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc1	608945627	SRPNZCRNBYUGTR-HXUWFJFHSA-N	418.484	5.564	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)NCCSCc3ccccc3C#N)sc2c1	609148726	COYMQNDXNHILPP-UHFFFAOYSA-N	400.956	5.398	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1Cl	609206259	GYUCTBVWLKWJGX-LJQANCHMSA-N	411.839	5.595	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c(F)c1	609389281	JPCSOYYKFMHLMP-KGLIPLIRSA-N	406.523	5.649	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F	609438226	GOXHJJRSPFLLLW-KBPBESRZSA-N	407.461	5.982	30	20	HKED	
CCCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](C)c1ccc(C)o1	609498970	BEAXROMDQZCHLG-SFHVURJKSA-N	403.482	5.651	30	20	HKED	
C[C@H](SCc1nc(-c2cccc(Br)c2)no1)c1ccc(C#N)cc1	609825354	SKBVARMBQVYPET-LBPRGKRZSA-N	400.301	5.365	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[C@H]1c1ccccc1	610320279	VLNUXBCCXHVRSC-WZONZLPQSA-N	412.493	5.403	30	20	HKED	
CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610321551	XDSPTCCDOZCLDN-NRFANRHFSA-N	400.482	5.231	30	20	HKED	
C=CCc1cc(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)cc(OC)c1OC	612576359	WAUPPSXEUPUKBZ-UHFFFAOYSA-N	423.553	5.239	30	20	HKED	
COc1ccc2oc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c(C)c2c1	612894719	KMGDODQDRCTNIB-KRWDZBQOSA-N	422.893	6.017	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2SCC(F)(F)F)c2ccccc21	618177872	KKLWMPKTWYTTNC-UHFFFAOYSA-N	417.456	5.852	30	20	HKED	
C=CCn1c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1ccc(F)cc1	639430773	RKQRJUVVHFMGDU-FQEVSTJZSA-N	424.545	5.050	30	20	HKED	
O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1	674783508	JSXDXWWZIMDZMH-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccccc1	676472202	IIHICAJOOACVFH-INIZCTEOSA-N	404.470	5.235	30	20	HKED	
Cc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)o1	681128049	AHGOYWXHTUWEHJ-HTQZYQBOSA-N	411.264	5.246	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)NCCc1cccs1	727702522	UUKFPIAULIYBQH-UHFFFAOYSA-N	409.555	5.191	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccc(OCc2ccccc2)cc1	727750503	BWNCULJKJUTHGJ-NRFANRHFSA-N	424.472	5.575	30	20	HKED	
Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	728298742	IITHIJAOGGGGMR-GOSISDBHSA-N	417.484	5.332	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccccc1Cl	728299596	SXWZVWHNJXQLEB-OAHLLOKOSA-N	423.875	5.369	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	730686779	JSADFJVHLVVVMU-FHWLQOOXSA-N	423.299	5.598	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1	733773034	MIAZIZXHSRACGR-KRWDZBQOSA-N	411.914	5.074	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1	733799768	FQKHIHMXUWKSOG-XJKSGUPXSA-N	406.313	5.235	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)c1	733801217	MVNUUCXBHIDWPP-YLJYHZDGSA-N	411.571	5.428	30	20	HKED	
C=CCOc1cccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1	743123004	XJSKHGBWDNCXDW-MRXNPFEDSA-N	411.502	5.481	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc2c(c1)CCC2	745724398	QFUODCBDVKCZAE-UHFFFAOYSA-N	415.537	5.898	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc(F)cc1F	745724938	ZWVQXSAZDZPLDB-UHFFFAOYSA-N	411.452	5.688	30	20	HKED	
N#Cc1csc(/C=C2/SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)c1	748661830	NWTNMJVVELEEPD-OVCLIPMQSA-N	423.009	5.267	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1	752278736	UVXHAZGASPYHRY-DNVCBOLYSA-N	408.548	5.013	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(C)cc2Cl)ccc1OC	752308303	HJQCDPYPOIEIKC-AWEZNQCLSA-N	422.312	5.313	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ccc(SC(=O)N(C)C)cc2)cc1OC	753118570	RWZJIGGRTALRPI-UHFFFAOYSA-N	422.934	5.072	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)C1	753157571	WKLQCQZEGWHCPB-XMMPIXPASA-N	412.518	5.277	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)Cc1cccc(OCC#N)c1	760391260	MMAIJUBABOABFR-UHFFFAOYSA-N	420.896	5.311	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1OCc1ccc([N+](=O)[O-])cc1	762441779	CDDIQWVJRFTXEK-RUDMXATFSA-N	420.446	5.012	30	20	HKED	
CCN(CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	772638944	GIHPMDOEWPBMFD-HNNXBMFYSA-N	403.429	5.018	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](c2ccccc2)N2CCc3ccccc32)n1	772674267	BPWDQOKBFOPPEX-KNQAVFIVSA-N	401.535	5.247	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)OC[C@@H](C#N)Cc2cccs2)cs1	772732527	IYPOCEYBAYLWEN-OAHLLOKOSA-N	414.577	5.345	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1	775401757	RWSBRNIZTFYBFA-UZUQRXQVSA-N	405.542	5.311	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	781446982	HRHDJXCXCIAESL-SWLSCSKDSA-N	414.914	5.022	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2csc(Cl)c2)cs1	787185975	KGNSGXOMDWUJSQ-YVMONPNESA-N	402.928	5.747	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C	789451066	SSYBMVYJNAWKEE-LJQANCHMSA-N	415.578	5.402	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1	797566927	BVFFUZXVYMNBFA-QGZVFWFLSA-N	412.555	5.315	30	20	HKED	
Cc1cc(Cl)nc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	800527616	YPHCFDZAHRSQTA-UHFFFAOYSA-N	420.900	5.010	30	20	HKED	
C[C@@](O)(c1ccc(OC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1)C(F)(F)F	802109626	ANDDXWTUXIXZTJ-GOEBONIOSA-N	410.285	5.091	30	20	HKED	
CCOC(=O)[C@H]1C/C(=C/c2csc(-c3ccc(F)cc3)n2)C(=O)c2ccccc21	802708812	WTUXNISBYIZEDQ-HFZJLKNISA-N	407.466	5.266	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	804459901	RIQKCCWAKJQCFN-QGZVFWFLSA-N	412.917	5.051	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c1	808869010	UKCDESBZVHLAAK-GOEBONIOSA-N	421.419	5.019	30	20	HKED	
CCc1nc2ccc(Cl)cn2c1C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1	813059784	HUNWWJWWXPPKGU-KDOFPFPSSA-N	422.916	5.025	30	20	HKED	
Cc1nnc(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(C#N)c1C	869928088	ADSTXUNFPBHFFC-UHFFFAOYSA-N	402.483	5.111	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cc3cccc(OC)c3o2)cc(Br)c1O	916130438	VOQXBAGEMQQBMO-FPLPWBNLSA-N	417.255	5.204	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(SC(F)(F)F)cc1	916936807	XGCGGHOFMJSGPF-GFCCVEGCSA-N	416.783	5.052	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917044344	SSUBSFJIYPYFGD-NVXWUHKLSA-N	411.452	5.507	30	20	HKED	
CC(C)CN(CCC#N)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1	917362876	CKMLWSHLFIGHGE-UHFFFAOYSA-N	409.580	5.600	30	20	HKED	
COc1cc(C=NNc2cccc3ncccc23)cc(Br)c1OC(F)F	917547793	BTVKNXNLSZEVMK-UHFFFAOYSA-N	422.229	5.053	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1	918035721	JBTFVWDSBRMQGY-RUZDIDTESA-N	410.521	5.086	30	20	HKED	
Clc1ccc(CSc2nncn2N=Cc2csc(-c3ccsc3)n2)cc1	920367856	CDXKOIYCAICLCR-UHFFFAOYSA-N	417.972	5.291	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(=C)C(F)(F)F)CCC2)cc1	1789457849	CATUNMKQJIGSIU-GOSISDBHSA-N	406.448	5.007	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1	1791729090	SRFYGTWGCVIYNT-UHFFFAOYSA-N	419.550	5.171	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)C1	1831562530	SCEOAOYXNCMVSH-SSPYTLHUSA-N	414.634	5.035	30	20	HKED	
CC[C@@H](C)c1ccc(-n2c(SC[C@@H](C#N)CCC#N)nc3ccccc3c2=O)cc1	7204930	AJLJKCDTXOBJRK-QZTJIDSGSA-N	416.550	5.435	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(CC)cc3)n2)nnc1-c1cccnc1	10196333	YFRUTJYLTHUHAN-UHFFFAOYSA-N	419.579	5.504	30	20	HKED	
CCOc1cc(C#N)ccc1OCC(=O)Nc1ccccc1Oc1ccc(C)cc1	10637498	OISBHQZWYRSKOV-UHFFFAOYSA-N	402.450	5.075	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1F	27077946	KZRLXGBWKLIMSM-UHFFFAOYSA-N	405.454	5.059	30	20	HKED	
COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2OCCC#N)cc1Cl	30533148	XIDHCRUECLXDMO-UHFFFAOYSA-N	410.857	5.055	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cc(F)c(Cl)cc3Cl)c2)c1	31776696	MXVSMBJGSKXMOM-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ccc(Br)cc2)s1	33045456	SPMMUHUKNMTAQY-UHFFFAOYSA-N	411.324	5.321	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)Nc1nc(C)c(SCC#N)s1	53650759	ZUDVKNBPVMCVRA-UHFFFAOYSA-N	401.538	5.057	30	20	HKED	
CN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1cccc(C#N)c1	63326626	FVUAFUPSCXNJIA-UHFFFAOYSA-N	424.287	5.394	30	20	HKED	
C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc(NC(=O)c2ccccc2)c1	237608027	SFFDLILLWDRCCW-FQEVSTJZSA-N	412.537	5.140	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(C(C)(C)C)s1	303201658	OJYAUPSFTIDZLI-UHFFFAOYSA-N	405.523	5.452	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cs2)o1	303394935	YTZXGBNCGKENIS-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
N#CCCn1ncc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)c1-c1ccccc1	432644608	MSAIEDKGXBAENR-UHFFFAOYSA-N	414.484	5.075	30	20	HKED	
CCCCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C	435024222	BJILEUJXLIRJOE-UHFFFAOYSA-N	422.916	5.348	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C)c1ccccc1	435657852	XNHWQBJWYWJWBT-SFHVURJKSA-N	419.447	5.116	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1	436977215	DFAFVXHPFMTMFM-KRWDZBQOSA-N	413.502	5.695	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cc1	437843736	SXFJUXANJOYAHF-FDDCHVKYSA-N	421.516	5.255	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)s1	438214831	LCFXGBLIMGFFGA-MRXNPFEDSA-N	420.538	5.903	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(C#N)cc2C)c1	439055584	FJPMURJWSSFUHD-IBGZPJMESA-N	411.505	5.229	30	20	HKED	
N#C[C@@H](C(=O)c1cn2c(n1)CCCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	442532625	VUNZRHTWUBXOAJ-ZDUSSCGKSA-N	417.321	5.140	30	20	HKED	
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCC1CCC(C#N)CC1	442968367	AKKOIGOWHLEXOD-UHFFFAOYSA-N	417.509	5.083	30	20	HKED	
C=CCOCCCC(=O)N(CC=C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	443864960	VMYARJUDWUSLGN-UHFFFAOYSA-N	411.354	5.619	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3ccccc3NCc3ccc(Cl)cc3)CC2)cc1	444329344	VPYDSFGSXRLXFJ-UHFFFAOYSA-N	401.897	5.494	30	20	HKED	
COc1cc(CN[C@H](CC(F)(F)F)C(C)C)ccc1OCc1cccc(C#N)c1	445880064	KNPLESCEWMEMSX-LJQANCHMSA-N	406.448	5.212	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1	446036396	JCKPIEPDHCYPAM-UHFFFAOYSA-N	418.965	5.401	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)cc1	446819265	WSRYVXRHLQJPRJ-CYBMUJFWSA-N	418.324	5.060	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1	461666867	CCOACCLRSCOSLO-UHFFFAOYSA-N	416.456	5.024	30	20	HKED	
CCN(C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)c1ccc(C#N)c(Cl)c1	464198281	MVVYSOZRLOXYSW-UHFFFAOYSA-N	408.889	5.415	30	20	HKED	
CC(C)COc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	468899749	GMCSPSGGOUUPFY-LJQANCHMSA-N	405.542	5.477	30	20	HKED	
C[C@@H](O)C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1	469692268	VEHBSWVRXBDQLS-NQIIRXRSSA-N	415.493	5.027	30	20	HKED	
CCN(C(=O)c1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1Cl)C(C)C	477093134	VGPDFIGZWCPAEU-UHFFFAOYSA-N	411.933	5.264	30	20	HKED	
Cc1c([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)oc2ccccc12	482178827	IKBITAVKXCYURR-INIZCTEOSA-N	400.434	5.276	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)cc1Cl	483437815	JBUMBAYGIKTIFO-CQSZACIVSA-N	411.914	5.036	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccccc1Sc1ccccc1C#N	484607786	REVDZTLRMRHBPJ-RHSMWYFYSA-N	404.457	5.512	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	485495207	JPRDWIVAHKHDIC-UHFFFAOYSA-N	410.901	5.703	30	20	HKED	
O=[S@@](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(C(F)(F)F)cc1F	487300867	RGIQEDLVMVZFGQ-SANMLTNESA-N	402.306	5.451	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCSc2ccccc2)cc1	488012581	ZAQOHLRVKHDJDS-UHFFFAOYSA-N	404.510	5.409	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	489522404	QQQDEORPKSWBKL-PXNSSMCTSA-N	418.006	5.010	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c[nH]cc3-c3ccccc3F)c2)c1	495094807	SRHDLGLMRWZJNH-UHFFFAOYSA-N	424.435	5.197	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c1	498746574	MHKKWEZFXTUSPE-JOCHJYFZSA-N	424.422	5.561	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@H]3c3ccccc3)s2)cc1	500196611	FXVVPWBKTIGZGI-NRFANRHFSA-N	402.523	5.365	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	503196944	GTBPWCBUXYEITQ-OAHLLOKOSA-N	409.515	5.032	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccccc1CCC(F)(F)F	505446601	VFUNMFVNQLAYMC-OAHLLOKOSA-N	411.292	5.493	30	20	HKED	
CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)[C@H](C)c1ccc(C#N)cc1	509563072	CLUKCBCHXAHCMQ-QGZVFWFLSA-N	410.477	5.293	30	20	HKED	
COc1ccccc1CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510024733	WRQCFFRAVZJXEP-OAQYLSRUSA-N	419.912	5.368	30	20	HKED	
CN(Cc1ccccc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	511495563	CDJSQERNVBXLTI-UHFFFAOYSA-N	418.884	5.128	30	20	HKED	
C[C@@H](NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(C#N)cc1F	512655204	SFLKYXGICSQFIM-CQSZACIVSA-N	415.390	5.754	30	20	HKED	
N#Cc1cc([N+](=O)[O-])ccc1Sc1ncc(-c2ccccc2)n1Cc1ccco1	514489831	QWJKCKAGPXWAOA-UHFFFAOYSA-N	402.435	5.122	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2	515448763	FPWLTGQTOQYFER-UHFFFAOYSA-N	414.600	5.475	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cnco4)cc3)c2C#N)C1	516069921	RDXWOBKNMCFJTI-MRXNPFEDSA-N	405.523	5.678	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccn3Cc3cccs3)n2)cc1	516270354	UPLHBJDXHFTURC-SFHVURJKSA-N	419.531	5.220	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21	517777396	FGTWRYOAYOHXDK-OAQYLSRUSA-N	413.468	5.157	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccccc2OC(C)C)cc1OC	518765629	RZQQYSQCUQQGDH-UHFFFAOYSA-N	420.347	5.100	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	519423962	LRXBYQRVCNBOSS-ZWKOTPCHSA-N	417.534	5.726	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	519515571	LGXPWPKMXIFBEO-ZDUSSCGKSA-N	404.919	5.394	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F	520926266	XVYVRUSFCYCQAD-LLVKDONJSA-N	418.437	5.040	30	20	HKED	
N#Cc1c[nH]ccc1=NC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1	522723660	QVEGKLWIGNMRJW-UHFFFAOYSA-N	414.317	5.227	30	20	HKED	
Cc1cc(Br)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	524390553	SIALZPWEIXRGKL-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)s2)cc1	530964947	GNKGNGNGDODBIG-LEWJYISDSA-N	417.534	5.039	30	20	HKED	
C=CCC[C@H](NCc1cnc(-c2ccccn2)s1)c1ccc(C(F)(F)F)cc1	533528258	MORJFBMVDJYSJH-SFHVURJKSA-N	403.473	6.021	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3cccnc3)C3CC3)cc2Cl)cc1	535451901	RUZUJRSZUKOEHH-QFIPXVFZSA-N	418.884	5.672	30	20	HKED	
C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	540725511	MDVVOLZVTZDTTQ-SFHVURJKSA-N	412.555	5.259	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	543132768	UXXDCLIHFGAGPX-UHFFFAOYSA-N	414.509	5.807	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(C(F)F)c2Cl)c1	543503925	ADEQHJCZRUVJCH-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	543943467	KMLBBXOXZQBMMF-RDJZCZTQSA-N	418.566	5.762	30	20	HKED	
N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(CCC3CCCCC3)no2)CC1	544134516	XULDXCVEXBAQFR-UHFFFAOYSA-N	421.501	5.086	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccccc4CN4CCCC4)no3)cc2)nc1	546943726	IQVSVNWQDVDNMB-UHFFFAOYSA-N	423.476	5.058	30	20	HKED	
Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc1-c1ccncc1	552875350	PARXTPMRNYKEEV-UHFFFAOYSA-N	407.477	5.087	30	20	HKED	
C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1	558086413	YBYLAMQZDIGZKB-AWEZNQCLSA-N	413.449	5.047	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](c4cccc(F)c4)C3)cc2)cc1	558088973	ZBYLLDRTAOOULB-OAQYLSRUSA-N	400.453	5.314	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc2sc(C)nc2cc1OC	558360110	MATRUWVIOWRUAD-UHFFFAOYSA-N	413.547	5.001	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cccc(C#Cc4ccccn4)c3)[nH]c2c1	558371359	JIKMGHVKIVRWIO-XMMPIXPASA-N	421.504	5.035	30	20	HKED	
N#Cc1ccc(N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c([N+](=O)[O-])c1	561319473	GIATUVXDHJJQHU-IBGZPJMESA-N	405.376	5.065	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C1CC1	568338939	LDZOOKZJPYXIGJ-HNNXBMFYSA-N	401.470	5.043	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)C[C@H](CC#N)c1ccccc1	571838144	ISYYKLZFROJYEP-IBGZPJMESA-N	418.518	5.536	30	20	HKED	
C[C@@H](SCc1cc(F)c(C(F)(F)F)cc1F)C(=O)Nc1c(F)cccc1F	575779926	JUMZIMMRDOSWIL-MRVPVSSYSA-N	411.342	5.522	30	20	HKED	
CC1(C(=O)Nc2ccc(F)cc2Cl)CCN(c2ccc(Cl)cc2C#N)CC1	581540449	IFAGXNVSMNKBCE-UHFFFAOYSA-N	406.288	5.249	30	20	HKED	
COCC[C@](C)(C#N)NC(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1	589039101	XOXGWMVRVUXHSN-HXUWFJFHSA-N	423.365	5.334	30	20	HKED	
C=CCc1cc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc(OC)c1OC	600418917	GVPWYFAUQJSTMK-UHFFFAOYSA-N	422.500	5.073	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3cccc(NCC(F)(F)F)c3)c2)c1	600859466	ACKFETQNIVUZHA-UHFFFAOYSA-N	411.427	5.724	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2)[nH]1)c1nc2cc(C(F)(F)F)ccc2s1	601432831	CEHILNBRKQWDMY-CQSZACIVSA-N	411.408	5.800	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(F)cc1	603532887	CJXTZHXYTHTAPM-UHFFFAOYSA-N	406.432	5.147	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1	607399242	DXLASFQKBPTAQL-UHFFFAOYSA-N	406.433	5.173	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)o2)cc1	609055370	BPQJAGLMCJZKLZ-IBGZPJMESA-N	424.909	5.351	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccn1	609079941	ODYNOCQJVQOJTC-HNNXBMFYSA-N	406.873	5.068	30	20	HKED	
C[C@H]1CCCCN1CCCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209183	UUUXTIKEKUPYKS-IBGZPJMESA-N	406.530	5.127	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)c2)cc1	609283617	WSPRQIYACLPXIR-UHFFFAOYSA-N	404.376	5.417	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CN2CCCCCC2)CC1	609434928	CSHUVYSHLFBAOV-LJQANCHMSA-N	414.619	5.201	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cc(Br)ccc2Cl)c1	609503275	LAOPOZSTZKGHGD-UHFFFAOYSA-N	407.695	5.162	30	20	HKED	
CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1OC	609723224	VLYFTVSFEYBAAA-UHFFFAOYSA-N	406.869	5.679	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCC2CCCCC2)CC1	610325823	RIDDTOKRRSAUCU-GOSISDBHSA-N	415.603	5.532	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cn2)c1	610570703	PAVJGGVPTSZLRH-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)ccn1	610957080	PHLBRSMDGVLABS-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)C1	612307450	IYCWASKKCAQIAF-IBGZPJMESA-N	422.382	5.189	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)C1	612369554	KOYWETZOWOTSOU-BUVIUBTMSA-N	411.505	5.471	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)o1	642156534	BRFVAYQRNOYKSH-VXGBXAGGSA-N	423.328	5.725	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2ccc(F)cc2s1	642158711	UNBXCBYVZHJUBE-UWVGGRQHSA-N	413.358	5.680	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl	645955590	SAYFVFBLWLVZLU-NSHDSACASA-N	410.804	5.467	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(COc4ccccc4)c3)o2)cc1	727991662	LQJVWMMKKYHDLQ-UHFFFAOYSA-N	424.456	5.562	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3ccccc3C2=O)cs1	728442182	XVURBQTYICNDTN-QINSGFPZSA-N	408.454	5.016	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(C(=O)N(CC)CC)cc2)c1	729180362	VUJAJQCVPSHALJ-UHFFFAOYSA-N	416.546	5.058	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)c1C#N	729382740	WKVSXOIPXLSKJE-UHFFFAOYSA-N	420.469	5.131	30	20	HKED	
C=C(Br)CNC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	730123187	GOVASYGNBFQZFQ-NSHDSACASA-N	414.756	5.041	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=S)Nc1ccccc1-c1ccccc1	730955204	UOWGFYIPOIENTE-QGZVFWFLSA-N	403.576	6.414	30	20	HKED	
CC(C)(C)n1cc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)c(-c2ccccc2Cl)n1	731156623	INXGRUUADRBIAT-OUKQBFOZSA-N	422.912	5.482	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2Oc2ccccc2)ccc1OC	733229337	AKEHLIICTJLGSL-IBGZPJMESA-N	416.477	5.098	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	733622593	VQQKZZNYFAGHQI-OAQYLSRUSA-N	400.438	5.164	30	20	HKED	
N#Cc1csc(/C=C2/SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)c1	748662507	SQTGCCJCINUOGS-AWNIVKPZSA-N	410.517	5.340	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Cl)c1	750683664	ICFNRWNSILZNAX-GKUQOKNUSA-N	420.868	5.406	30	20	HKED	
C=CCNC(=S)N(C)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1	751918119	OHCOHVZRJIOQTA-KRWDZBQOSA-N	409.780	5.184	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cn2)c1	766398198	IUBLDGMTFSBPCS-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
C#CC[C@@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	767250047	HTMLOMKEVGBFLK-FYYLOGMGSA-N	403.913	5.083	30	20	HKED	
N#CCCn1cc(CNc2cccc(-c3cn4c(n3)CCCC4)c2)c(-c2ccccc2)n1	770536775	YYYMMCJIBAQJPY-UHFFFAOYSA-N	422.536	5.276	30	20	HKED	
Cn1c([C@H](NCc2cc(Cl)ccc2OCC#N)c2ccccc2)nc2ccccc21	775762420	QNEYUCZFYMGURL-HSZRJFAPSA-N	416.912	5.008	30	20	HKED	
N#C[C@@H](NC(=O)c1c(C(F)(F)F)ccnc1Cl)c1ccc(Cl)c(Cl)c1	776880442	AIOZGWZIIXSXKZ-LLVKDONJSA-N	408.594	5.055	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)C(=O)c3ccc(Cl)cc3)n2)cc1	777305005	UFZTZUYSJSMDFZ-KXBFYZLASA-N	422.937	5.857	30	20	HKED	
N#Cc1ccc(CN[C@H](Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)nc1	783293381	GICFZIFUCHHYEO-OAQYLSRUSA-N	400.284	5.473	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nccc2ccccc12)c1ccccc1	792093855	AZDQPCCULPVHPG-NHCUHLMSSA-N	415.493	5.067	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCOc2ccccc2Br)s1	797569268	ABZDCNPTTGJGGC-CYBMUJFWSA-N	421.360	5.239	30	20	HKED	
C=CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C(C)C	806789760	AAFCVJMTIAMERV-UHFFFAOYSA-N	408.449	5.053	30	20	HKED	
O=C(Nc1cccc(/C=C\C(=O)c2c(F)cccc2Cl)c1)c1ccccc1Cl	809159115	IMGJOFHDELMGSX-QXMHVHEDSA-N	414.263	6.281	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)cc2)ccn1	810821771	OHSBMTXAUQNVDV-IBGZPJMESA-N	415.346	5.414	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1	812966097	LYDTVSCLOPGNAX-RUZDIDTESA-N	422.569	5.525	30	20	HKED	
COc1cc(C=NOCc2coc(-c3cccc(Cl)c3)n2)ccc1OC(F)F	914571771	FIKRMNXXKJUUAQ-UHFFFAOYSA-N	408.788	5.156	30	20	HKED	
COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)cc1Cl	915042047	ZFGRTFPEVYIDEH-VMPITWQZSA-N	409.869	5.227	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1	915124435	ILQDZVKWGGPVPT-SFHVURJKSA-N	412.345	6.458	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)NCCSc2ccccc2)cc1	915124570	PUTUHZYGKIOAHH-JOCHJYFZSA-N	403.576	5.421	30	20	HKED	
FC(F)Oc1ccccc1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl	916333557	OINKVCJQISRKAU-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
N#Cc1cccc(CNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c1	916696100	GEZCJZHDGWKBET-HNNXBMFYSA-N	406.338	5.166	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1	916843651	ADTUNCJIYWOSBO-QGZVFWFLSA-N	414.328	5.112	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccccc3F)n2)cc1	920142308	UTYLRCQOGWWKMP-MRXNPFEDSA-N	407.495	5.180	30	20	HKED	
N#CC(CCOC(=O)c1cnc(-c2ccccc2)nc1)(c1ccccc1)c1ccccc1	921213635	DFBRLHZSUYPTFF-UHFFFAOYSA-N	419.484	5.200	30	20	HKED	
C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CCC2)cc1	1791575930	PSRODYDTCILBJE-KJNZLNQQSA-N	414.615	5.045	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822327645	DMHAUSMTIXBQDZ-HXUWFJFHSA-N	412.578	5.141	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1	1828010998	GNHYRDCQUIPMAR-NBGIEHNGSA-N	418.581	5.285	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21	5185613	HTBQOIFPVGALEL-ZDUSSCGKSA-N	407.455	5.034	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2cccc(OCc3ccccc3)c2)S1	7165080	QYXSSKFBGPNJNJ-PXLXIMEGSA-N	414.530	5.774	30	20	HKED	
C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)s1	11392993	BGQLRNSIFXOBJB-CQSZACIVSA-N	412.540	5.048	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n1	21514767	WVBGYEVVLSGCSH-UHFFFAOYSA-N	421.488	5.200	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1	25838405	RQHYMCYHEZAAOB-UHFFFAOYSA-N	414.465	5.260	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)[C@H](C)Oc2ccccc2C#N)cc1	29756765	FAZHZONRUPXMNE-KRWDZBQOSA-N	402.450	5.155	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2c1C(=O)CCC2	51157134	LVGZRSXMXLNMPZ-AWEZNQCLSA-N	410.882	5.374	30	20	HKED	
N#CC1CCN(C(=O)c2ccccc2SCc2ccc(Br)cc2)CC1	61584599	KPBRUWGWHCSUOF-UHFFFAOYSA-N	415.356	5.117	30	20	HKED	
N#C[C@@H](C(=O)c1ccn(-c2ccccc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1	97261758	VCNMMDBOYRLPSD-HNNXBMFYSA-N	422.872	5.278	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)cc2)c2ccccc2)cc1Br	237268315	MLLTWVIMFRQRLH-QFIPXVFZSA-N	407.311	5.209	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3ccc(Br)cc3)c2)c1	302954857	DVTHKTZDGKBZGN-UHFFFAOYSA-N	407.311	5.190	30	20	HKED	
C=CCC(C)(C)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	426457246	FPBWEGVUPNUHSO-UHFFFAOYSA-N	401.510	5.380	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1	428042034	AXJXCNCVIMBNTE-UHFFFAOYSA-N	402.454	5.118	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1	428705085	ARNRIHVJAAATCN-UHFFFAOYSA-N	410.930	5.481	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1cn2c(n1)CCCC2)c1ccc(C(F)(F)F)cc1	428951632	KEPWZDWZOHFWAA-LJQANCHMSA-N	420.479	5.087	30	20	HKED	
CN(Cc1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1	433765895	MVTGHHZMXUNZFT-UHFFFAOYSA-N	414.509	5.650	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1	433783685	RAFJGAGSIRUMOT-UHFFFAOYSA-N	404.898	5.161	30	20	HKED	
Cc1nc(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)sc1SCC#N	433863664	SDGPOJOZGSYBLX-UHFFFAOYSA-N	414.943	5.399	30	20	HKED	
CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	437496291	NDKUKIGKBYOLJU-MRXNPFEDSA-N	418.424	5.098	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](CN2CCCC[C@H]2C)C1	438069692	CDDLJOMTOUOSRM-VAMGGRTRSA-N	414.619	5.057	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1-c1nccs1	438304901	MQERJOJZDOZUND-HNNXBMFYSA-N	409.536	5.222	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc3ccccc3n2)cc1F	438643611	ANWRKNRJAFOBKL-UHFFFAOYSA-N	412.424	5.360	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1F	438668607	YMTSMNQFTAOTQR-LJQANCHMSA-N	401.441	5.511	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(Cl)c1	438823143	YCSGOBJHRFZJCX-OAHLLOKOSA-N	416.959	5.003	30	20	HKED	
CCCc1c(NC(=O)N2CCCC[C@H]2c2ccccc2)cnn1-c1cccc(C#N)c1	439369925	HTBFJYYOQHHLFV-QHCPKHFHSA-N	413.525	5.456	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1	441231800	LEUBSKUSKPHXHN-FQEVSTJZSA-N	410.905	5.540	30	20	HKED	
COCc1nc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c(-c2ccccc2)s1	442873209	QWMUAWHFMHFVNR-OAQYLSRUSA-N	403.551	5.385	30	20	HKED	
N#CCCCn1cc(C(=O)N2CC=C(c3cccc4ccccc34)C2)c2ccccc21	444343498	OCVZLYKAUGNUEC-UHFFFAOYSA-N	405.501	5.638	30	20	HKED	
Fc1ccccc1-c1noc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)n1	444606652	GZIJBEXMXBHSOW-HNNXBMFYSA-N	419.300	5.288	30	20	HKED	
CC(C)[C@H](NC(=O)CS[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2	446703643	ANIMDHYJFBDATH-OSPHWJPCSA-N	424.566	5.027	30	20	HKED	
COCc1cccc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	446954039	JRYHOHSFALIZFN-INIZCTEOSA-N	400.569	5.099	30	20	HKED	
CC(C)c1ccc2ncc(C#N)c(N3CCC4(CC3)OCCc3ccsc34)c2c1	447670219	IYHGDSSHNVBDNQ-UHFFFAOYSA-N	403.551	5.360	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)CCc3cncc4ccccc34)c2)c1	462417578	DWCFUGVCMIPPAK-UHFFFAOYSA-N	407.473	5.257	30	20	HKED	
FC(F)(F)C[C@@H](NCc1cncc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	463189048	BDSJOLJBGXROQB-CQSZACIVSA-N	416.287	5.903	30	20	HKED	
CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)CC2	465376716	PAANRPSZDTXPBU-SFTDATJTSA-N	423.944	5.091	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1	465518869	PGAKPMFMNSUFIV-UHFFFAOYSA-N	401.432	5.231	30	20	HKED	
Cc1ccc(CC[C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1	466211127	UOKPXAORAWNLQC-GOSISDBHSA-N	417.509	5.376	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	466761875	FOEBONCELHHAOB-UHFFFAOYSA-N	422.291	5.040	30	20	HKED	
N#C[C@@H](C(=O)c1cccc2cnccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	466988454	MSKHFQIPKNWTDM-KRWDZBQOSA-N	424.312	6.155	30	20	HKED	
Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(C(F)(F)F)c(F)c2C)n1	468107099	COJCWXIUZAGUCL-UHFFFAOYSA-N	400.319	5.127	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)n1	470092674	MAYJVSKDQQKWQA-UHFFFAOYSA-N	423.472	6.069	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)n1	470094256	OUJFYUIYYWODFY-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
CC(C)(CCC#N)CN1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	470538144	SEZQEKWLLGUKIM-INIZCTEOSA-N	408.386	5.427	30	20	HKED	
COc1cccc(C=C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1	473821060	WZGMOUVIOQGRJA-SFHVURJKSA-N	421.566	5.658	30	20	HKED	
CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	474573746	GNNIRMXQUKICIY-UHFFFAOYSA-N	411.549	5.146	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C	475549006	RONAHPVSODWWCO-JOCHJYFZSA-N	422.960	5.837	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C	475561162	AJANJNLHTNDLFB-HXUWFJFHSA-N	419.529	5.502	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(F)cc1)c1ccn(C)n1	475573220	KXRSRJJKWWXVQK-HSZRJFAPSA-N	406.505	5.322	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1	476080466	PGAIDNMHQSYNMO-NRFANRHFSA-N	419.569	5.730	30	20	HKED	
Cc1nnc(-c2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1	482496488	UDCNLYZQGZLHEZ-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	482691086	JHUUPLYBTZBCLQ-SECBINFHSA-N	413.362	5.222	30	20	HKED	
Cc1c(F)ccc(Cl)c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	483977586	ODFGDLVCSCJWCR-OAQYLSRUSA-N	408.860	5.361	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4c(F)cccc4F)CC3)cc2)nc1	485578147	CFMKWXGIZNFWPX-UHFFFAOYSA-N	419.431	5.044	30	20	HKED	
C=CCC[C@H](C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccccc1	489707723	YHBYIQSGJLHPBU-OPXMRZJTSA-N	407.554	5.178	30	20	HKED	
CC(C)n1cccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	490722583	RDTXIMCOKGNXCV-AWEZNQCLSA-N	404.322	5.989	30	20	HKED	
N#CCc1ccc(NC(=O)N(Cc2ccccc2Br)C2CCCC2)cc1	495108404	BAERCZBVAIOTEI-UHFFFAOYSA-N	412.331	5.492	30	20	HKED	
N#CC1(CCCN[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CCOCC1	499629323	YZUSZVOBBXDXBN-CTNGQTDRSA-N	408.508	5.812	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2)cc1	503549257	BISOILQVNVQWEY-IBGZPJMESA-N	407.351	5.254	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)nn1CCC#N	504099746	IIAGPSFTWLMFST-UHFFFAOYSA-N	415.280	5.457	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3cscc3C#N)cc2Cl)n1	504372528	WPFCUTYKAUKABL-UHFFFAOYSA-N	418.931	5.467	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	505187469	NJGHKDRHECOGFU-UHFFFAOYSA-N	406.555	5.257	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCNc2ccccc2C)cc1	505652873	WGZNMQSDTDTATA-UHFFFAOYSA-N	401.466	5.108	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc(F)cc2F)cc1	508115150	RJQDISWXGOBWLE-UHFFFAOYSA-N	406.432	5.181	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1	508469455	FHNLCUDUYINAHD-HKUYNNGSSA-N	404.457	5.387	30	20	HKED	
Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c2cc(Br)ccc2n1	509018494	WXWGYDCQPQBKQV-UHFFFAOYSA-N	422.326	5.480	30	20	HKED	
Cc1sc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c(C#N)c1C	512138110	LFRACJJALPFCPL-UHFFFAOYSA-N	401.944	5.119	30	20	HKED	
Cc1cccc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C(F)(F)F)c1	512853221	VDJRLFNOYJRLKM-KBXCAEBGSA-N	407.461	5.672	30	20	HKED	
CC(C)S(=O)(=O)c1ccc(CNc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	513639571	CZELEHQTXCYZLC-UHFFFAOYSA-N	424.497	5.284	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)sc2c1CCCCCC2	513654540	WTMIAVFBTMESRD-UHFFFAOYSA-N	421.425	5.041	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)s2)cc1	513655016	OUSAEQNZMGDZBP-MRXNPFEDSA-N	419.531	5.617	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	516514088	GKWXMXGBQWMCPX-OAQYLSRUSA-N	420.900	6.014	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	516815935	LSERIKMVIOAWIQ-UHFFFAOYSA-N	415.493	5.052	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)cc1	522532175	DLFRFANPGNHLLY-NQIIRXRSSA-N	420.484	5.415	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC2CCCCC2)cc1)c1nc(-c2ccncc2)cs1	522810439	ZJSMHYQFPZKNOT-FQEVSTJZSA-N	403.507	5.407	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1ncc(-c2ccccc2)o1	524916554	VBGDZWXCICZPNS-KRWDZBQOSA-N	402.523	5.563	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1	525036561	LZDPRWPWSCCUGQ-UHFFFAOYSA-N	419.569	5.160	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)c(F)c1	531265830	JSENIXCYQKBOTD-UHFFFAOYSA-N	401.372	5.429	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1	534173563	JGPZQZWPNFUAEN-KSFYIVLOSA-N	402.881	5.056	30	20	HKED	
C=C[C@@H](CC(=O)N(CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1ccccc1	534668682	DRMSKHCJVJPXJL-NRFANRHFSA-N	420.601	5.086	30	20	HKED	
N#CCc1ccc(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1	534970048	LVZYPYMLMMLEFQ-UHFFFAOYSA-N	403.187	5.253	30	20	HKED	
Cc1nc(-c2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)ccc1C#N	535943411	OZFJUDNUMPTJMG-UHFFFAOYSA-N	422.473	5.164	30	20	HKED	
COc1ccc(C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2ccccc2)cc1OC	537408200	YVTWTBCJSFBUTF-HXOBKFHXSA-N	404.485	5.349	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	538162670	HBYAZMJJTDOJGO-ZWKOTPCHSA-N	411.571	5.157	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@H]1C1CCOCC1)c1ccc(C(F)(F)F)cc1	538665456	GMWXPFRRTNJYKW-UXHICEINSA-N	410.480	5.313	30	20	HKED	
N#CCC1CCN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CC1	541048949	ZWWPWXBABQAFPA-UHFFFAOYSA-N	419.377	6.052	30	20	HKED	
C=CCN(C(=O)c1ccc(OC)c(OC2CCCC2)c1)c1nc2c(s1)CCCC2	541268071	SNZRPNDXIQWDDQ-UHFFFAOYSA-N	412.555	5.185	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC4CCCC4)nc3)n2)cc1	541944646	AVXVMSHNSOUXOK-IBGZPJMESA-N	419.506	5.025	30	20	HKED	
Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	542035620	KXXMXJWNSIQABV-FQEVSTJZSA-N	405.889	5.075	30	20	HKED	
COc1ccc([C@@H](NC(=O)N2CCC(CC#N)CC2)c2ccccc2Cl)c(C)c1	542896823	XOLHEJMMWBSOQC-JOCHJYFZSA-N	411.933	5.082	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Br)c(Cl)c1Cl	543646848	PUJGYQFFKUDJFO-UHFFFAOYSA-N	417.090	5.297	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(OC(F)F)cc4)no3)cc2)nc1	545523306	KXSBMFZNUJHATM-UHFFFAOYSA-N	406.348	5.064	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1	554432757	GRPDURUCMPJKLK-UHFFFAOYSA-N	422.444	5.530	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)N[C@H]3C[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)c1	557065451	RRQFWVULTARBAQ-CZIWCDLHSA-N	403.284	5.098	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc2)ccn1	558511024	KMPMZJXNJSAKSY-QFIPXVFZSA-N	418.884	5.768	30	20	HKED	
N#CC[C@@H](Cc1nc(C2(c3cccc(Br)c3)CC2)no1)c1ccccc1	561928237	FJDUGFLQNYUPSH-INIZCTEOSA-N	408.299	5.152	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1	565657603	RNDYANYSGSIWCW-UHFFFAOYSA-N	423.948	5.101	30	20	HKED	
COCCC[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1	568665878	DNMZFUBSESJOPV-GOSISDBHSA-N	413.949	5.473	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccccc2)c1	571730012	QJZUBIQLBXGBDK-FQEVSTJZSA-N	417.557	5.076	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@H](CCO)c2ccc(Cl)cc2)c1	572318449	JTTHRNRZGRFEOR-XMMPIXPASA-N	406.913	5.004	30	20	HKED	
C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccccc2n1C(F)F	574263481	AJTMMMZZWACPLC-INIZCTEOSA-N	402.448	5.821	30	20	HKED	
CSC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1cccs1	578676277	WTGCIUUIDPMLON-LJQANCHMSA-N	402.566	5.162	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCc2nc3ccccc3o2)c1	581046086	XPTRLJDNUKDKSY-UHFFFAOYSA-N	417.852	5.118	30	20	HKED	
Cc1nsc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1C#N	587974311	OJZUIHQAMJWRLJ-NRFANRHFSA-N	423.586	5.016	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1	588303536	LSSGJENAETZENS-SFHVURJKSA-N	415.940	5.012	30	20	HKED	
N#CCC[C@H](NCc1cc(Br)cc(Br)c1)c1ccccc1	588927232	WMHVYRIOTBHWSW-KRWDZBQOSA-N	408.137	5.346	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1Br)c1ccc(Oc2cccnc2)cc1	588971974	VCNMIRRNDHCEOM-HNNXBMFYSA-N	408.299	5.359	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)nc1	603532767	RKYSWJDAODXXMI-UHFFFAOYSA-N	413.374	5.267	30	20	HKED	
CCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl	604103570	BGGXSXYSHYCXTN-UHFFFAOYSA-N	422.937	6.155	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)cs1	608802532	UDGCEZXDGQXEPK-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3ccc(C#N)c(C)n3)cc2Cl)n1	608874406	NWOPYWAKCMMFIM-UHFFFAOYSA-N	400.916	5.084	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1	609436825	HCKRHCQKQMJWMS-GJZGRUSLSA-N	421.488	6.325	30	20	HKED	
CC(C)CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(C#N)cc1	609641904	JJSARAKHJOBIRI-UHFFFAOYSA-N	409.489	5.312	30	20	HKED	
CN1CCC[C@@H](CNc2ccc(Cl)c(C#N)n2)[C@H]1c1ccc(C(F)(F)F)cc1	609797664	KFLXCSVHLDFJNL-IFXJQAMLSA-N	408.855	5.120	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)C1(C#N)CCCC1	610052096	LTFHMOCSUDBZCT-CYBMUJFWSA-N	418.360	5.142	30	20	HKED	
N#CCCn1ccc(NC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)n1	610176601	YCZGJBHAHPDNGR-UHFFFAOYSA-N	403.244	5.162	30	20	HKED	
COc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)cc1	610355963	GCNLEUHMCLQEFO-HJPURHCSSA-N	419.912	5.370	30	20	HKED	
C[C@@H](NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1cccc(C#N)c1	610359997	LNWSXXWXZXRUBD-IVZQSRNASA-N	408.473	5.547	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H]2c2cccc(F)c2)cc1	611042051	JLHQTYFNKOAEHX-DEOSSOPVSA-N	415.468	5.450	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccccc4)s3)n2)cc1	613319155	SALRYSIQQFJCMF-KRWDZBQOSA-N	401.516	5.732	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc(-c2ccccc2)cs1	613392535	SCHNUUBUIKDDOC-KRWDZBQOSA-N	404.491	6.168	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	615914001	SSEOHKBQPOUICG-FQEVSTJZSA-N	418.946	5.022	30	20	HKED	
C=CCn1c(S[C@H](C)c2cccnc2)nnc1-c1ccc(Br)cc1	618427963	NACZDLSTVPWFSX-CYBMUJFWSA-N	401.333	5.142	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NS(=O)(=O)c1cccc(CC#N)c1	619462516	FGVQOVQXYIXLOX-SFHVURJKSA-N	406.507	5.002	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1	619539290	DBNRVXPZJXGYRV-LBPRGKRZSA-N	416.428	5.583	30	20	HKED	
C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nc(C(F)(F)F)cs1	681049697	OLIJUSSCDUUIHA-RBXMUDONSA-N	414.337	5.722	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2cccc([N+](=O)[O-])c2C)cs1	727973728	ZESRHEHVVHPRGV-UHFFFAOYSA-N	423.498	5.107	30	20	HKED	
Cc1ccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c1	728200972	XNRSJEWWFDZLDE-UHFFFAOYSA-N	423.875	5.289	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1	728852587	ODFZALISDGIVLO-SFHVURJKSA-N	401.510	5.104	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C(F)(F)F)cc1	730988631	AFGIOUOQIRWCTI-ADVGAGMGSA-N	404.457	5.999	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)c1	731629426	XOFCMHFGIODPIX-UHFFFAOYSA-N	405.450	5.187	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccnn3C3CCCCC3)c2)cc1	734315188	VKRMSDYHBICPAG-UHFFFAOYSA-N	400.482	5.091	30	20	HKED	
COC(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F	734997516	UOZXYOPUIVUKNI-UHFFFAOYSA-N	424.815	5.182	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)cc1	735400299	VEIJLMCCFLAUFS-JOCHJYFZSA-N	418.443	5.464	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OCC2CC2)cc1	740434940	KAQMNKDNPBKSHB-XMMPIXPASA-N	411.505	5.453	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)cc1OC	741294572	FGYLWJIQCYBRGT-HVJHFUJKSA-N	405.450	5.233	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	745947637	HRRSVHOVOFFPAA-HNAYVOBHSA-N	410.926	5.745	30	20	HKED	
Cc1ccc(-c2cc(C(=O)N(CCC#N)CC(F)(F)F)c3ccccc3n2)c(C)c1	748803932	RRMYIYPZTRWJLI-UHFFFAOYSA-N	411.427	5.437	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)c2)cc1	751187490	BOENAKKWYAXGOQ-UGKGYDQZSA-N	418.518	5.140	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	753400453	NQMIQBSJJPCASU-LRDDRELGSA-N	418.440	5.694	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)c(C#N)c3)ccc21	754243874	ZKOIKDCLPJQYAI-UHFFFAOYSA-N	411.889	5.152	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1	762534583	VUVWZWVUWLCVGZ-ZIAGYGMSSA-N	413.593	5.810	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1cc(Br)ncc1F	762777659	HHFBNPDNADEWFQ-CABCVRRESA-N	424.317	5.934	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1	778210153	FZSHMRIHAFAZQN-OXJNMPFZSA-N	400.906	5.191	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1=CCCCO1	783558109	WHABKMSZYXCZRP-GFCCVEGCSA-N	421.259	5.138	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)CC(C)(C)C#N	783858340	LGZWMPQEEQPSSF-LBPRGKRZSA-N	407.333	5.425	30	20	HKED	
C#Cc1cccc(N(C(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)C(C)C)c1	786167266	BKNPMVPNEGSBML-UHFFFAOYSA-N	410.945	5.039	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)nc2C(F)(F)F)nnc1-c1ccco1	786713039	CTYFKCNNRVEVGW-UHFFFAOYSA-N	400.813	5.084	30	20	HKED	
N#C[C@@H](C(=O)[C@H](c1ccccc1)N1CCc2ccccc21)c1nccc2ccccc12	792096799	RQOZYEMFHSUWFB-BVAGGSTKSA-N	403.485	5.215	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nccc2ccccc12	792101561	BAWMREZPGAGYQT-AQNXPRMDSA-N	409.514	5.771	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cccnc1SC(F)F	794112428	UIMJBAIBJBYYMN-UHFFFAOYSA-N	414.302	5.269	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1	799203945	VPYFXSMWINJQCQ-OQLLNIDSSA-N	404.488	5.279	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(F)c(C(F)(F)F)cc3F)cn2)c1	804253327	QJWZANPNBHWOIN-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	808627409	GJGJKJBXKDZQDX-UHFFFAOYSA-N	411.477	5.269	30	20	HKED	
CN(C)Cc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1	821022980	WRXYWDZXNJDOIV-YPKPFQOOSA-N	418.924	5.550	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1	915084993	COJNVHNLOIGAKZ-QHCPKHFHSA-N	406.489	5.342	30	20	HKED	
COc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1OC(=O)C1CC1	916250054	UREWMHMNFLGVAA-UHFFFAOYSA-N	400.478	5.051	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c[nH]c2ccccc12	916273164	UHKIQVGCBYDBBH-UHFFFAOYSA-N	418.909	5.450	30	20	HKED	
Cc1sc2ncn(N=Cc3cccc(Br)c3)c(=O)c2c1-c1ccccc1	916283742	QHQKHWPROGMFIJ-UHFFFAOYSA-N	424.323	5.078	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC	917045413	ZGIQUNYMVYRTAA-HQQUCIOCSA-N	424.909	5.413	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccc(C)c2)n(CC)c1=S	917458194	VTKYAIWAMHGLSQ-UHFFFAOYSA-N	405.571	5.151	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	918488911	GJFYLEUNBSJCTN-SFHVURJKSA-N	414.889	5.638	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S	919942380	VXROGCOCABCXDJ-IBGZPJMESA-N	411.550	5.136	30	20	HKED	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCc1nccn1C(F)F	923807541	UYPTURNBIOOIAH-UPHRSURJSA-N	414.252	5.072	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCSC3)CCC2)cc1	1786104392	RGMRBSDXDDWECZ-IBGZPJMESA-N	412.599	5.032	30	20	HKED	
C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)CCC1	1790287306	BGOGBLOSFFSXMG-UHFFFAOYSA-N	420.553	5.034	30	20	HKED	
CCCCC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)ON=C(C)C)cc2)CCC1	1790570105	SYLRKGHIIWAWRS-RTBURBONSA-N	415.578	5.138	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)c(Cl)c1	1792111393	ASMFNSYTOPOLHD-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1	1823911666	BURBHZGILGVTPS-HTAPYJJXSA-N	416.993	5.094	30	20	HKED	
N#Cc1ccccc1CSc1nnc(-c2ccccc2F)n1Cc1ccccc1	5170987	UCEFRNMWAUFAOY-UHFFFAOYSA-N	400.482	5.296	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)ccc1OCC#N	7748209	XQASVLKHYQKMQJ-UXBLZVDNSA-N	409.388	5.248	30	20	HKED	
C[C@@H](C#N)SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F	9544857	JBLUQZPWJFTSBI-RCEBRVLHSA-N	420.296	5.521	30	20	HKED	
C=C(C)CN/C(S)=C(\C(=O)c1cc(C)ccc1C)[n+]1ccc(C(CC)CC)cc1	22797791	ODLSJWZQLHSSPW-UHFFFAOYSA-O	409.619	5.599	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(C)c2)cc1	22799734	XNZCTWUBNDQMRO-UHFFFAOYSA-O	413.925	5.434	30	20	HKED	
CC(C)c1nc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc2o1	33217339	NIEMGXPNFWYODJ-UHFFFAOYSA-N	413.502	6.226	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2c1C(=O)CCC2	51677879	LVYSYSNZXYUNMF-NSHDSACASA-N	418.396	5.226	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3sccc3[C@H]2CC)cc1	56756780	MOLQXIOKPXOVME-HXUWFJFHSA-N	409.555	5.104	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccc(CSC3CCOCC3)c2)c1	217219917	ZKJJQBDKHLXLCC-UHFFFAOYSA-N	424.566	5.158	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(-c2cccnc2)cc1	237597688	XTNAWTKCVRAMGE-NRFANRHFSA-N	419.528	6.050	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1	302967503	HLKOWONIOOFTGO-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
C=CCCc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1	410356883	XOCAQDBFBMMSCU-UHFFFAOYSA-N	412.942	5.675	30	20	HKED	
C=CCCc1ccccc1NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1	410375204	WRZMESVVJRHGOE-UHFFFAOYSA-N	420.582	5.282	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(Cl)c1	431588842	HVWWQRVLAFCZPZ-KRWDZBQOSA-N	407.260	5.168	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)CN[C@H](CCCC#N)c2ccccc2)cc1	433022121	IUFITDWDFNALOJ-JWQCQUIFSA-N	419.569	5.164	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433614678	AEVRAFOMHMYWCA-QLJPJBMISA-N	422.344	5.692	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1C#N	433968923	XCJIIVYINZWQGD-GFCCVEGCSA-N	415.877	5.266	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)cc1	435667360	KCGQMHFYUOMMJQ-SKBVVQJISA-N	423.516	5.182	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCc4cccnc43)cc2Cl)c1	435736874	CCZGLTYMIBZKMN-FQEVSTJZSA-N	417.896	5.244	30	20	HKED	
Cc1cccc2oc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)nc12	438225067	JUUDCOOHJKSAKR-UHFFFAOYSA-N	412.449	5.164	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(COCc2ccccc2)cc1	438368671	CJQFOSJHWUFRQU-UHFFFAOYSA-N	404.485	5.763	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3csc4ccccc34)c2)cc1	439393983	RTTVOPQKJAJRQQ-UHFFFAOYSA-N	413.458	5.142	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)NCC1CCC(C#N)CC1	441671040	PSFAHQLGHYWMBJ-UHFFFAOYSA-N	419.504	5.139	30	20	HKED	
COc1ccccc1NC(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1	446907080	ULBVNTSLIWGCKB-UHFFFAOYSA-N	409.848	5.224	30	20	HKED	
N#Cc1cccc(OCCNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)c1	462207197	GAEGKNHIBYGDDH-UHFFFAOYSA-N	409.848	5.094	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C(F)(F)F)nc3C)n2)cc1	464184907	FVUKIGCLXXRMAP-LBPRGKRZSA-N	407.442	5.392	30	20	HKED	
C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C)OCC	464233302	URUDJUNBJPXYFR-HXUWFJFHSA-N	400.906	5.211	30	20	HKED	
COc1ccc(-c2nc(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)cc1OC	464826613	ZVANHQMVLCOUBH-LEWJYISDSA-N	419.550	5.099	30	20	HKED	
CCO[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C1=CCCC1	465169987	MQHIYZWXZSBJJU-QFIPXVFZSA-N	406.482	5.203	30	20	HKED	
Cc1nc(CN2CCC(Oc3cccc(C#N)c3)CC2)oc1-c1ccc(Cl)cc1	468283046	WKZBUXDKBFIJOM-UHFFFAOYSA-N	407.901	5.219	30	20	HKED	
CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	468746349	GXDKLOJPYPJZIQ-UHFFFAOYSA-N	416.506	5.301	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	470486487	KXROXRZOGBOETQ-SFHVURJKSA-N	416.481	5.116	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ncc(C(C)(C)C)o2)n(C2CCCC2)c1C	474395501	KNVRXBWLTZWVRY-UHFFFAOYSA-N	400.548	5.108	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	477284785	AFPOOQYWUYPBGM-UHFFFAOYSA-N	404.391	5.026	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)ccc1OCC1CC1	481005663	FUSKMAIJOKAIRD-UHFFFAOYSA-N	400.498	5.002	30	20	HKED	
C=C(C)[C@H](N[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1	481621077	CUCHJBQXCPGYAK-RBZFPXEDSA-N	403.860	5.560	30	20	HKED	
CCc1nnc(-c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)o1	482478429	KYEOLDOKVUILAQ-UHFFFAOYSA-N	424.460	5.002	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN(C(=O)c4sc5ccc(C#N)cc5c4C)C3)[nH]c2c1	486948434	YXZYELZGGIVIGL-KRWDZBQOSA-N	414.534	5.286	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)s1	487082370	CXVSEOYNMBGDNW-INIZCTEOSA-N	423.513	5.325	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)Cc2ccc3ccccc3n2)nnc1-c1ccncc1	489448629	MRVRPHUGAMJQRN-QGZVFWFLSA-N	401.539	5.188	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(O)c3ccccc3n2)nnc1-c1cccc(Cl)c1	489641647	NWDFESFZHOOQEW-ZDUSSCGKSA-N	423.929	5.287	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	493201215	DQYBZTQRHWTNDB-UHFFFAOYSA-N	413.355	5.025	30	20	HKED	
COc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1C(C)C	495335391	GHLRWQYKOOTPBU-VQTJNVASSA-N	407.514	5.131	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4cccc(Cl)c4)no3)s2)cc1	499292027	YVRATZMAIVQZLX-UHFFFAOYSA-N	420.881	5.166	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(C)C)cc2F)cc1C	499593464	RTWPXIZTYATJRF-UHFFFAOYSA-N	420.488	5.259	30	20	HKED	
N#CC1(CCCN[C@H](CC(F)(F)F)c2ccc(Br)cc2)CCOCC1	499623706	DNLPZNMJAPXSGY-MRXNPFEDSA-N	419.285	5.133	30	20	HKED	
CCOc1ncccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	499851586	UVLHTLHWTLRJHM-HXUWFJFHSA-N	420.900	5.111	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)C(C)(C)C	503237209	WTIMJIXPOANEDL-UHFFFAOYSA-N	408.502	5.306	30	20	HKED	
CC(C)(C)c1ncsc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	505355412	ICMQIJOXJMQMOA-LJQANCHMSA-N	405.523	5.014	30	20	HKED	
CCOc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	508243414	PYRDDIPKJBKAPX-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(SC4CCCC4)cc3)CC2)cc1	509565255	VCQHAQXGTWANPZ-UHFFFAOYSA-N	421.566	5.668	30	20	HKED	
COc1ccc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1OCCCC#N	509578050	GGXUPSWJXRBWSD-UHFFFAOYSA-N	409.917	5.071	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(Br)c1	510479884	QOANZASPBVVLPJ-LLVKDONJSA-N	409.736	5.607	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(Cc2ccccc2)n1	512211765	IMHARPQHUXLLQY-UHFFFAOYSA-N	402.972	5.206	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cs1	512958640	LTQXWCADUIYDSS-INIZCTEOSA-N	402.504	5.127	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)nnn1-c1ccc(-c2ccccc2)cc1	518198915	ZLGODDMDKWDYLY-UHFFFAOYSA-N	413.868	5.020	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(OC(F)F)cc1	520939122	KYROXZBJXVINND-AWEZNQCLSA-N	405.470	5.046	30	20	HKED	
CCCC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OC)cc1	520940238	JXKMFXSLBNWWQK-XLIONFOSSA-N	411.571	6.142	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2	521800221	KPOUPCIKQBKELB-CYBMUJFWSA-N	402.903	5.148	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC2CCCCC2)cc1)c1nc(-c2ccncc2)cs1	522810440	ZJSMHYQFPZKNOT-HXUWFJFHSA-N	403.507	5.407	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCc3cc(F)ccc32)cc1	523191135	RKEXZLPGGSKVPJ-XMMPIXPASA-N	417.459	5.236	30	20	HKED	
CCc1c(C)sc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1C#N	524105468	FYKIFBWLPPDLIW-UHFFFAOYSA-N	408.527	5.235	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccncc1	524441082	QWOYYRFEDKFHGE-XMMPIXPASA-N	412.493	5.210	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C)Sc2ccccc21	533013076	MJHSLQHDHXOQMV-IRXDYDNUSA-N	411.596	5.268	30	20	HKED	
CC(C)CN(C(=O)c1cc(Br)cc2cccnc12)c1ccc(C#N)cc1	534610249	LUGRXYKRCPPRDM-UHFFFAOYSA-N	408.299	5.172	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@]3(CCCOC3)C2)cc1Cl	536406587	YBPXVQJZLWEODE-QHCPKHFHSA-N	410.901	5.037	30	20	HKED	
Cc1ccc(OCCCC(=O)Nc2ccc(CNCc3ccc(C#N)s3)cc2)cc1	538327412	UWZFDLJENAVKBS-UHFFFAOYSA-N	419.550	5.016	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c(F)c(F)cc(F)c1F	538425050	UOMVGTCYDMQONO-CYBMUJFWSA-N	419.218	5.295	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc2[nH]ccc2c1)c1ccc(OCc2ccccc2)cc1	539395627	UNYDPBZFALBJJD-RUZDIDTESA-N	409.489	5.061	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1	542681655	NRCTUWZNUVXQID-OAHLLOKOSA-N	407.564	5.149	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1c1cccs1	543862940	YCGZEWGIMYTZRL-BLLLJJGKSA-N	410.486	5.483	30	20	HKED	
N#CC1(CCCSc2nnc(Cc3cccs3)n2-c2ccccc2)CCOCC1	553964818	VCXIQKMVBQXKQZ-UHFFFAOYSA-N	424.595	5.112	30	20	HKED	
C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCCC2(CCCC2)C1	555241137	UGZCSTSVCIJEQD-FCHUYYIVSA-N	406.574	5.260	30	20	HKED	
C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C)(C#N)CC1	555292243	LJEZMDMBMYUJKJ-UHFFFAOYSA-N	418.570	5.083	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3sccc3F)s2)c(C(F)(F)F)c1	555379955	ZEALZFUSNBLJBL-UHFFFAOYSA-N	411.405	5.077	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	558740368	GUHMRTWQIYSLEG-PSWRPDDJSA-N	419.594	5.287	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2cccnc2)C2CC2)cc1Cl	559822094	ZAGLRFBLXFSQSP-GGAORHGYSA-N	416.912	5.663	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)C2(c3ccccc3)CC2)nnc1-c1ccccc1C	561683579	KZPKBHBIECPGLF-SFHVURJKSA-N	403.551	5.221	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cncc(C(F)(F)F)c1	565326723	VKUNHZDPNRVFNU-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(C#N)c2ccccc2n1	571958202	VDNPAFAZGKHYDZ-UHFFFAOYSA-N	406.470	5.382	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H](CCO)c2ccc(Cl)cc2)c1	572318448	JTTHRNRZGRFEOR-DEOSSOPVSA-N	406.913	5.004	30	20	HKED	
CC[C@@H](NCc1cc(F)c(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1	572509554	PFYDKIMYHGXNKF-LLVKDONJSA-N	404.326	5.700	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](C)c1ccc(Br)cc1	575823917	YKVQPKWOMYRORZ-KRWDZBQOSA-N	418.379	5.325	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	575911709	RSUJGMDIQKYCNJ-UYAOXDASSA-N	412.493	5.546	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1cccc(Cl)c1	577664520	XJLYVGPQTWDVHA-NRFANRHFSA-N	408.933	5.176	30	20	HKED	
N#CCCCCCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1	588925157	AYYJUYPOPNDESA-UHFFFAOYSA-N	404.514	5.622	30	20	HKED	
N#Cc1cccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)n1	589743028	ZHGVOXUXQIKOQH-UHFFFAOYSA-N	414.465	5.063	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2)[nH]1)c1nc2cc(C(F)(F)F)ccc2s1	601432830	CEHILNBRKQWDMY-AWEZNQCLSA-N	411.408	5.800	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)COc3cc(Cl)ccc3Cl)cn2)c1	603622960	ARDLFTPRGXMHDA-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1Cl	603766246	OOGPGUWQDHGZQT-QFIPXVFZSA-N	412.880	5.433	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1OC	604978159	FSYNOLFMAHWJQJ-UHFFFAOYSA-N	403.478	5.400	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1	609067677	NPISOAGWKYOVRQ-UHFFFAOYSA-N	421.614	5.137	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434352	XIGLBTWBBJZKSB-QHCPKHFHSA-N	413.477	5.728	30	20	HKED	
N#Cc1ccccc1/C=C\c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	609475542	HHXKQYXXWLZSPX-SEYXRHQNSA-N	403.445	5.177	30	20	HKED	
Cc1csc(C2(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CCC2)n1	609666150	CQVVPLTWJKUPSE-UHFFFAOYSA-N	407.470	5.064	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3cccc(C#N)c3)o2)cc1	610361444	ADXCGLVSSAJKGI-SFHVURJKSA-N	407.473	5.680	30	20	HKED	
COc1ccc(-c2nnc(SCc3ccnc(C#N)c3)n2C2CCCCC2)cc1	610955222	XBXBTHXSURZGOW-UHFFFAOYSA-N	405.527	5.018	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc(Cl)c1OCCC(C)C	613290575	HBADAEWDDQDBFQ-SFHVURJKSA-N	422.912	5.812	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H]4CCc5cc(C#N)ccc54)cc3)o2)cc1	618735103	INKBSEWPVRBMLP-HSZRJFAPSA-N	420.472	5.001	30	20	HKED	
N#C[C@H](C(=O)c1coc(C2CCCCC2)n1)c1nc2cc(C(F)(F)F)ccc2s1	670115908	HHYUTGMUZQYEJI-CYBMUJFWSA-N	419.428	5.841	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(Cl)cc1F	672777174	KKXDBBBGDRDHIB-IUCAKERBSA-N	406.729	5.382	30	20	HKED	
CCc1ccc([C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	727954054	UCXDJNOULFNJGB-AVRDEDQJSA-N	412.489	5.492	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(F)c1	728062240	KVDSMSQJKQQJLN-QGZVFWFLSA-N	403.457	5.024	30	20	HKED	
C#Cc1cccc(N(Cc2ccccc2)C(=O)CCc2ncc(-c3ccccc3F)o2)c1	728248745	XWZPYCJIKDZANV-UHFFFAOYSA-N	424.475	5.628	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1	730394612	JEORVMKXUIJXSE-KXBFYZLASA-N	417.317	5.755	30	20	HKED	
C#CCN(C(=O)Nc1ccc(C)c(C)c1)[C@H]1CCOc2ccc(Br)cc21	733615527	RGELSKXWENOGRC-IBGZPJMESA-N	413.315	5.057	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(OC3CCCC3)c2)ccc1OC	733620087	PPNABUXKHGDUKL-LJQANCHMSA-N	423.513	5.019	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(COc3cccc(F)c3)c2)c1	733935419	HWBWYMYDEGWNIP-JOCHJYFZSA-N	418.468	5.016	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1	734963571	JKMKLGMUFVYNIS-UTKZUKDTSA-N	416.452	5.459	30	20	HKED	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	736955482	LAHNDKSFGYWRSI-KOSHJBKYSA-N	417.940	6.090	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@@H](OCC)C12CCCC2	740772856	WUGUGUVTMRPSJJ-RTBURBONSA-N	405.995	5.358	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=S)N[C@H]3CCOc4ccccc43)cc2)c1	741493017	UWJKBBPNFSZOKM-NRFANRHFSA-N	401.491	5.161	30	20	HKED	
N#Cc1ccc(-c2cccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)c2)s1	742408890	DZMRMYDGSGBKNR-UHFFFAOYSA-N	411.446	5.227	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	742510176	JAYFGTQYXDYEEX-FXAWDEMLSA-N	414.571	5.165	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744029812	WNUMCRVOXLXZSW-KSSFIOAISA-N	410.395	5.310	30	20	HKED	
Cc1ccc(-c2cnc(COC(=O)c3ccc(COc4ccccc4C#N)o3)o2)cc1	744823801	PXVCOGPJTTZRRM-UHFFFAOYSA-N	414.417	5.051	30	20	HKED	
CCOc1ccc2nc(-c3ccc(N=Cc4c(CO)cnc(C)c4O)cc3)sc2c1	747708498	ZRIQJINLYPUSFE-UHFFFAOYSA-N	419.506	5.014	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)cc1	751603548	SRKKZMSDCFQYHH-JOCHJYFZSA-N	408.423	6.089	30	20	HKED	
COc1cccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	753397625	OWVGLVSQQOOUSJ-XJKSGUPXSA-N	412.461	5.467	30	20	HKED	
O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)(F)c1nccs1	756728123	XFKAAGOGJBXCOG-VIFPVBQESA-N	405.266	5.101	30	20	HKED	
C=C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	759220262	CZDCOBDVXZRAFF-BBRMVZONSA-N	400.425	5.851	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)cn2)cc1	759498820	KGXWPOZEMIWEOX-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
N#C[C@H](C(=O)/C=C\SCc1ccco1)c1nc2cc(C(F)(F)F)ccc2s1	759819721	MAOIPGKZUNTAAY-SCXUMTSISA-N	408.426	5.531	30	20	HKED	
C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1	765101377	XRYAGLXWWIPBAK-UXHICEINSA-N	416.521	5.093	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	766471063	ZFXRFBNIUMAYPZ-NRFANRHFSA-N	420.557	5.466	30	20	HKED	
C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)C1	766529971	KILJDDIUYDZCOQ-HOCLYGCPSA-N	407.898	5.214	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2Cl)cc1/C=C1\CCc2nc(O)ccc2C1=O	769615156	PBYKQRFRNADMBS-WYMLVPIESA-N	407.901	5.136	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)OC[C@@H](C#N)Cc3cccs3)cc2)cs1	772738198	SIODDSQUMFUQSC-OAHLLOKOSA-N	414.577	5.345	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1	772982376	GNTMGFYNNHIUMC-YWZLYKJASA-N	409.530	5.789	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	773983476	XAXGSRFWMUHUBG-HQQUCIOCSA-N	414.317	5.710	30	20	HKED	
N#CCc1ccccc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	776842844	JYJRYMZFDCWUGK-UHFFFAOYSA-N	401.853	5.251	30	20	HKED	
Cc1ccc(-n2c(-c3cccs3)nn(CN3CCC(C)(C#N)CC3)c2=S)cc1	779879731	XHYFICWMWMZGLT-UHFFFAOYSA-N	409.584	5.023	30	20	HKED	
N#Cc1cc(Cl)ccc1COC(=O)CCc1ncc(-c2ccccc2Cl)o1	780038374	IASXCYBCTYHBEU-UHFFFAOYSA-N	401.249	5.196	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc2ccccc2n1Cc1ccccc1F	780175868	HPFGWXGOHHVIEP-KRWDZBQOSA-N	413.452	5.372	30	20	HKED	
CCN(CC)[C@@H](C(=O)Nc1ccccc1O[C@H](C)C#N)c1cccc(C(F)(F)F)c1	780179459	ZFQYOTXLEYJRSF-FOIQADDNSA-N	419.447	5.018	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	784111695	HAMITVVELUKGQS-UHFFFAOYSA-N	411.870	5.087	30	20	HKED	
CC/C(=C/C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C)cc1	787355342	UKZJTFTWVKTSFN-ZPHPHTNESA-N	401.510	5.010	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790764531	HQCTXNINGJFFPR-UHFFFAOYSA-N	421.541	5.275	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1nc(-c2c(F)cccc2F)cs1	796907248	ZSWNOFLMFAAFCY-HBNTYKKESA-N	400.372	5.243	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccccc2C#N)cs1	799500147	UBCGGZYHFOAWOX-FLIBITNWSA-N	407.882	5.249	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCn3c(cc4ccccc43)C2)cc1	806200958	QGLLSZRXZKUUPD-RUZDIDTESA-N	420.516	5.735	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2cc(C)ccc2s1	810530080	UZGWXOYDDRBTLK-AWEZNQCLSA-N	412.898	5.141	30	20	HKED	
C=C[C@](C)(CCOC)COC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1	810705680	FTQUCABKZDMPCP-OAQYLSRUSA-N	409.498	5.138	30	20	HKED	
Cc1nnc(N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(C#N)c1C	811863293	UTDSUTZHSFSFKS-SFHVURJKSA-N	423.517	5.026	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1	813852383	CYABOVFZILEHLU-UHFFFAOYSA-N	405.350	5.629	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)sc2ccc(C#N)cc12	815335952	FKBFUYBAJLZRSU-UHFFFAOYSA-N	407.495	5.681	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	915105041	YHSXAKCVGNEQEI-CQSZACIVSA-N	402.397	5.154	30	20	HKED	
COc1ccc(SCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915179732	HGEXQXBNYSEYDZ-HSZRJFAPSA-N	402.519	5.472	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCCOc2ccc(F)cc2)cc1	915354221	XQEJWVFXHUQTTG-DEOSSOPVSA-N	417.484	5.462	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc2ccc(F)cc12	916887116	MIXNXBOCWWKEJV-HNNXBMFYSA-N	418.396	5.156	30	20	HKED	
C=CCn1c(C2CC2)nn(CN2CCC[C@H]2c2cccc(Br)c2)c1=S	917481863	CLOAPORZIWZUEJ-KRWDZBQOSA-N	419.392	5.035	30	20	HKED	
COc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)ccc1OCc1ccccc1	918572128	BJUCEYNUKISHKF-UHFFFAOYSA-N	414.505	5.449	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2	1793052000	POLXLONLVAYMOF-BJWYYQGGSA-N	421.368	5.014	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2C)CC1	1827801567	MCQGZOXTRIORAY-JOCHJYFZSA-N	414.615	5.058	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]2C)CC1	1828482850	NKHFYGFENFMJKG-NNWRFLSQSA-N	402.623	5.035	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)CCO2	14202576	GBQMVTHBBYWSQC-CSKARUKUSA-N	403.865	5.423	30	20	HKED	
Cc1n[nH]c(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1	50896603	GNDDGICDUVLPQC-UHFFFAOYSA-N	411.490	5.055	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C)c3cccc(C#N)c3)cc12	63325094	DNETWTHFRIUXFJ-UHFFFAOYSA-N	406.898	5.197	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1c1cccc2ccccc12	65884669	HGXWKURNOUOYJY-HSZRJFAPSA-N	414.505	5.243	30	20	HKED	
N#Cc1ccnc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1	71918269	VYTBDAJUUAPOOH-UHFFFAOYSA-N	411.939	5.489	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1	72020698	MJADTFMLRFVQEP-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCCc1nc(-c2cccs2)no1	106285921	PZFPNCUURIQVQU-UHFFFAOYSA-N	407.948	5.051	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(Br)sc2Br)c(Cl)c1	226348727	OQCUHODRSORSBW-UHFFFAOYSA-N	420.513	5.050	30	20	HKED	
C[C@@H](Sc1cccc(Br)c1)C(=O)N(CCC#N)c1ccc(F)cc1	303177374	KEJSKSINTWGIBL-CYBMUJFWSA-N	407.308	5.016	30	20	HKED	
CCOc1c(Cl)cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC	303284020	KXGSSLFQDHFCDF-CYBMUJFWSA-N	404.919	5.251	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	303369675	SENQAJYTTZPXEP-LLVKDONJSA-N	401.340	5.188	30	20	HKED	
Cc1nnc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)o1	303974400	FOYIINMSZSVJEL-UHFFFAOYSA-N	412.474	5.320	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1c(F)cccc1Oc1ccccc1	410035571	CXGDMWWZZJCGIF-UHFFFAOYSA-N	420.440	5.296	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1F	429764297	ICAVRPZTWHZLKM-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c(Cl)c1	430371465	PYNMFKIZDZBHBG-UHFFFAOYSA-N	418.815	5.320	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1Cl	432009163	UEXGILBBPNOFNI-OAHLLOKOSA-N	416.695	5.950	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1	433345100	VQOXACSOKZCBSN-HXUWFJFHSA-N	411.461	5.070	30	20	HKED	
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1	434519779	BYTMUQDECJMXMB-CVEARBPZSA-N	403.448	5.377	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	436344358	OQVOCKRWRBYMQD-BJKOFHAPSA-N	424.504	5.243	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1	438641332	LNVOYMQAPUWTOS-IBGZPJMESA-N	422.598	5.209	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)c1ccccc1	438854832	XIXOPHQSRNQMFF-VQTJNVASSA-N	412.331	5.341	30	20	HKED	
CCCc1c(NC(=O)c2cc(Br)ccc2C)cnn1-c1cccc(C#N)c1	440086859	AEXPYYMHKVHXHM-UHFFFAOYSA-N	423.314	5.020	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)Nc1cccc(CCC(F)(F)F)c1	441112224	CNNXYBMTJRSFBH-UHFFFAOYSA-N	407.461	5.108	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)NC(=O)CC2)c1ccc(C(F)(F)F)cc1	442231039	SLSAHMIEQKEHJE-GOSISDBHSA-N	417.431	5.419	30	20	HKED	
Cn1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C(F)(F)F	446359059	FALMMONJVQWCON-UHFFFAOYSA-N	420.778	5.009	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1C	460798553	MJMLDCNABJZGQL-HSZRJFAPSA-N	402.542	5.221	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)[C@@H](C)c3cccc(C#N)c3)s2)cc1	462117980	AWEBTRHHYSCBSY-WMZOPIPTSA-N	403.551	5.622	30	20	HKED	
CC(C)(CCC#N)CNC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1	462683608	ZOLJEGYZHQHDOA-HXUWFJFHSA-N	402.007	5.420	30	20	HKED	
Cn1c(C(F)F)nc2cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)ccc21	467194608	KUNPIIHDACDDNK-LLVKDONJSA-N	416.840	5.264	30	20	HKED	
O=C(Cc1cccc(C(F)F)c1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	468405587	OEDCTMRVNCEOMU-HNNXBMFYSA-N	409.301	5.188	30	20	HKED	
CC(C)(C)[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2ccccc2o1	469228746	NZBPPQFEXRZSEI-RUZDIDTESA-N	415.537	6.215	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)nc1-c1ccccc1	471180279	BVYYRNIRXCBHAG-OAQYLSRUSA-N	414.509	5.112	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F	472346380	GPTCSAAIARTATH-AWEZNQCLSA-N	413.720	5.921	30	20	HKED	
Cc1nc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)oc1-c1ccc(Cl)cc1	473672488	AWZGBHOAHBWEKL-UHFFFAOYSA-N	401.253	5.150	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C[C@H](CC#N)c1ccccc1	474898486	XFHXKSCAKIEKOT-FQEVSTJZSA-N	412.493	5.665	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1	476124429	UUBBTTWCGZDOQO-UHFFFAOYSA-N	406.505	5.634	30	20	HKED	
CC(C)Cn1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(C(F)F)n1	478576635	XRUVTNRHAJLXDV-UHFFFAOYSA-N	410.424	5.393	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OCC)n2)nnc1-c1ccccc1C	481346162	TWQXIGKIBQUJLF-HNNXBMFYSA-N	400.573	5.286	30	20	HKED	
CC[C@H](C(=O)N1CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1)c1ccccc1	481931167	YYDRTCFLIRKZNM-AZGAKELHSA-N	415.581	5.100	30	20	HKED	
Cc1ccccc1-n1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1	482265766	HQANRZHEPMJSHV-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	482959138	ODUNZPSCMCYRNJ-HNNXBMFYSA-N	410.499	5.186	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nccc2ccccc12	483193852	GIUXBYOZGWNDJE-HXUWFJFHSA-N	420.497	5.639	30	20	HKED	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	483218625	QDEWBKAVCXQFBZ-QRWLVFNGSA-N	401.432	5.098	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cnc2ccccc2n1	483218849	QIUXEJCXAFVWPS-FQEVSTJZSA-N	400.441	5.335	30	20	HKED	
C=CCc1cc(C(=O)Nc2cccc(Cl)c2Br)cc(OC)c1OC	486826384	PJGRUCJDNBJFOJ-UHFFFAOYSA-N	410.695	5.101	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1	488324633	JTPMVBZTFIETLL-GHMZBOCLSA-N	414.478	5.439	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1-c1cccs1	489445818	HBUKNLYBLLXFAR-UHFFFAOYSA-N	400.554	5.510	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c3c(C)noc3n2)cc1	496096718	YAIKZQGDTWZRBS-QGZVFWFLSA-N	424.485	5.606	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	501015576	BNTKFVYEVLLVKW-MOPGFXCFSA-N	410.395	5.507	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC	510632738	IOHYEABAJATRNK-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
N#Cc1ccc(CCC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1	511944637	YNXZSEWZFMSOET-UHFFFAOYSA-N	400.444	5.481	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)c1nc(-c2ccccc2)cs1	512158433	DHUHIISNEZVPNR-OXQOHEQNSA-N	417.534	5.237	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1	516261381	XWFFGQOJWSKLPL-DEOSSOPVSA-N	404.485	5.322	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	517531390	CVHNWTBSOALXGY-HZPDHXFCSA-N	422.579	6.087	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1cccc(Br)c1	520928056	GHYHUCSSMSMBFK-AWEZNQCLSA-N	403.345	5.415	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1S[C@H](C)c1ccc(C#N)cc1	522822870	ZLFHIXMHGWFIPE-GOSISDBHSA-N	406.555	5.628	30	20	HKED	
C=CCN(C(=O)[C@H](C)c1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	523510661	UPRWYFHPZXCZRF-MRXNPFEDSA-N	407.495	5.349	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1	523965183	PMZKUTWRDOBIMM-YEJXKQKISA-N	415.946	5.165	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1	525621701	YKYQMQBMAYYIML-HSZRJFAPSA-N	412.558	5.555	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)c(F)c1	531027686	VZQVRZBAVIZBIP-UHFFFAOYSA-N	408.795	5.285	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccoc1)C1CCCCC1	532577714	OLHPQZMQXGXDPS-SFHVURJKSA-N	411.571	5.305	30	20	HKED	
COc1ncccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	536716203	QDPBSYNEIYNXTK-ZDUSSCGKSA-N	404.278	5.011	30	20	HKED	
CCN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccc(C#N)c(Cl)c1	536972316	MCDVADXQKUHRLK-UHFFFAOYSA-N	418.806	5.083	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N	537022615	RRMTWYGKQFAARI-QZTJIDSGSA-N	411.571	5.157	30	20	HKED	
O=C(Nc1ccon1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542703039	DYPDJOWXOOOFOD-JTQLQIEISA-N	421.219	5.137	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)c2cc(Cl)ccc2C#N)c1	543160603	AYWZSHVTNNGMRM-UHFFFAOYSA-N	403.913	5.120	30	20	HKED	
COc1cc(-c2noc([C@@H](C)Oc3ccccc3C#N)n2)cc(Cl)c1OC(C)C	546936937	GQBWEOBQNOCUCJ-CYBMUJFWSA-N	413.861	5.197	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccccn1	551100054	QUZWMYNLZQIYQH-ZDUSSCGKSA-N	424.530	5.037	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](c4ccccc4F)C3)cc2)c1	553320248	WNJUCVHVYYOBTJ-SFHVURJKSA-N	401.441	5.511	30	20	HKED	
N#CCc1ccccc1NC(=O)c1oc2ccccc2c1CSC1CCCCC1	554750512	NFAKOPUEOWPNRA-UHFFFAOYSA-N	404.535	6.317	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1	557607695	MIJGBLYDAUFTOI-UHFFFAOYSA-N	416.497	5.084	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3cc(Br)cc(C(F)(F)F)c3)[nH]c12	559388430	WJRRCUHYRSHMTN-CYBMUJFWSA-N	422.204	5.143	30	20	HKED	
COCC1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCCCC1	570764042	BSOLSDPXHXMQAU-UHFFFAOYSA-N	421.541	5.050	30	20	HKED	
C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	578085479	FICQDNMCYSDATQ-MRXNPFEDSA-N	421.476	5.087	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c1	589739406	NLUVUBIGZKBVHO-LJQANCHMSA-N	405.542	5.089	30	20	HKED	
C=CCN(C(=O)c1cccc(C#N)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	589743171	FBTXDIGMZUUKIU-UHFFFAOYSA-N	415.305	5.216	30	20	HKED	
C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1cccc(Cl)c1Cl	590228897	GIAHPECOTXARCO-JTQLQIEISA-N	424.353	5.040	30	20	HKED	
C=CCN(C(=O)Cc1ccccc1Br)c1nc(-c2ccccc2)cs1	591004181	QRIUUWIZZFVHOS-UHFFFAOYSA-N	413.340	5.334	30	20	HKED	
CCN(C(=O)[C@H](C)Sc1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1	603956090	BOMRNYKRCYBNTO-CABCVRRESA-N	417.372	5.411	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1	604364075	AYRWHOJSNISVSN-UHFFFAOYSA-N	412.493	5.272	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	604400817	SUAMDGLCTNBPEF-JOCHJYFZSA-N	423.969	5.984	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)c1ccc(C#N)cc1F	608798556	XCLFYTIUNLTWGX-UHFFFAOYSA-N	419.403	5.425	30	20	HKED	
COc1ccc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609061389	BMSCVBHRUFGENY-UHFFFAOYSA-N	418.518	5.185	30	20	HKED	
N#Cc1cc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1F	609102516	SPKQDDQSHVRJLV-UHFFFAOYSA-N	405.376	5.021	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3SC[C@H](C)C#N)o2)cc1	609377413	FBCJGUZUHHRFHT-QGZVFWFLSA-N	405.523	5.473	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N	609385694	KOTDFSYZPYUHCA-GHTZIAJQSA-N	423.582	5.113	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1nc(C(C)(C)C)cs1	609435255	AXCBKUDPKQDFIH-AWEZNQCLSA-N	402.589	5.199	30	20	HKED	
Cc1cccc2sc(C(=O)N[C@@H](C#N)c3ccccc3Br)c(Cl)c12	609593129	PPAPABFJNJXFLZ-ZDUSSCGKSA-N	419.731	5.620	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)c2)c1	609648053	IAPLMDJIVNFAMC-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(NC3CCCC3)c2)c1	609806062	JGWYHFLHEAWNJX-UHFFFAOYSA-N	401.466	5.337	30	20	HKED	
C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)c1ccc(C#N)cc1	609813520	JCDCIMDCJGNPEY-AWEZNQCLSA-N	403.532	5.387	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1	609930315	ZNQNJBMCKKHXBN-VGSWGCGISA-N	402.523	5.244	30	20	HKED	
COc1ccc2c(c1)c(C(=O)N(C)Cc1ccc(C#N)cc1)c(C)n2Cc1ccccc1	609967494	IQDOMOTVWLKYHG-UHFFFAOYSA-N	423.516	5.151	30	20	HKED	
Cc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1C(=O)NC(C)C	610910805	HOVQXSZYNAOECR-UHFFFAOYSA-N	413.521	5.196	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ncc(-c2ccccc2)cn1	619523460	VELDPSYVHXAJFH-UHFFFAOYSA-N	408.486	5.419	30	20	HKED	
Cc1ccc(SCc2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccs2)cc1	619854631	IZBHIUKKGOVZHZ-QFIPXVFZSA-N	423.611	5.119	30	20	HKED	
C=C(CNC(=O)c1oc2ccccc2c1CSc1nnc(C)s1)c1ccccc1	673341714	FXUCSYYIWAWXNM-UHFFFAOYSA-N	421.547	5.328	30	20	HKED	
Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F	674571503	QUYNVFGMELEZMJ-PHIMTYICSA-N	408.264	5.218	30	20	HKED	
CC(C)(C)[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F	681491368	HXSSYUWUPDGQJO-MRTMQBJTSA-N	416.328	5.172	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(Br)c3)n2)cc1	726322686	WALAMIZCWPQPPE-QGZVFWFLSA-N	411.324	5.300	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)c(C)c1	726801360	IAIRZDMEKGDEMZ-XSFVSMFZSA-N	408.548	5.392	30	20	HKED	
Cc1ccc(-c2nc(COC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cs2)o1	728109316	MYYYXNBQDIOHIL-UHFFFAOYSA-N	420.446	5.112	30	20	HKED	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2ccccc2s1	728410585	YLVWHCCSFNRSKL-FXAWDEMLSA-N	412.514	5.531	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2sccc2C#N)c(C(F)(F)F)c1	729655565	STZYVAWVMQFSAZ-UHFFFAOYSA-N	411.405	5.238	30	20	HKED	
COc1cccc(COc2cccc(Cl)c2CNCc2ccc(OCC#N)cc2)c1	729685282	CVNBRUZAOKVXCW-UHFFFAOYSA-N	422.912	5.120	30	20	HKED	
COCCOc1ccc(/C=C2\CCc3nc(-c4ccc(OC)cc4)sc3C2=O)cc1	730465107	XVCLXRMIWSUNQK-OBGWFSINSA-N	421.518	5.056	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl	732434748	FVYBNMFYYLKICS-YVEFUNNKSA-N	424.353	5.100	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2c(Cl)ccc(Cl)c2Cl)ccc1OC	733330452	WUHPZHLARKBQRW-CYBMUJFWSA-N	413.732	5.626	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2OC2CCCC2)ccc1OC	733625197	VCMGBXHZDUOPLX-SFHVURJKSA-N	423.513	5.019	30	20	HKED	
C=CC[C@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccncc1	734234560	QRLJENOBUJKELH-KRWDZBQOSA-N	417.456	5.580	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1)c1ccncc1	734667249	BRSYQKAXCMDKIB-NLFFAJNJSA-N	415.537	5.647	30	20	HKED	
O=C(/C=C\c1c(OC(F)F)ccc2ccccc12)c1c(Cl)nc2sccn12	741847611	IXSZHRIXAAKKFY-SREVYHEPSA-N	404.825	5.700	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)c1cccc(Cl)c1	745304920	GWLTYAKSJCBJBK-GJZGRUSLSA-N	416.930	5.020	30	20	HKED	
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCCCCC#N)cc1	747658771	FAPDFQLLZKXLIK-ZPHPHTNESA-N	412.489	5.581	30	20	HKED	
CN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CCCCCCC1	748986490	UNWTXFYQMDFOOC-UHFFFAOYSA-N	415.588	5.279	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)cs2)cc1	750403427	LCFUCUVOANYGPW-QGZVFWFLSA-N	424.497	5.277	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1SC(F)(F)F	752644150	ILCQQCFLYBQJNH-DOTOQJQBSA-N	405.445	5.602	30	20	HKED	
COc1cc(C2SCCS2)ccc1OCc1ccc(C#N)cc1OC(F)F	753117898	LYAFOJLVNUKNFI-UHFFFAOYSA-N	409.479	5.226	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1csc2ccccc12	754731237	LFLBOUFRRPWDQY-HZPDHXFCSA-N	409.580	5.585	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2COc3c(Cl)cccc32)cc1	757812286	CMRXJLVYTNJELN-TZIWHRDSSA-N	403.869	5.251	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C\c3ccc(Cl)c(C(F)(F)F)c3)cc2N1	758024665	HTOMKOUIYXTKFZ-RQOWECAXSA-N	403.834	5.361	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc(-c2ccncc2)cs1	759269782	WWKTWNABWOMFEO-DUMMIQTOSA-N	416.893	5.296	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccc(C)s2)C(C)C)c1=S	764913130	ALRIBVUGYLYBQA-UHFFFAOYSA-N	413.616	5.290	30	20	HKED	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	765589961	GVLXPXQPNFFKJA-BBRMVZONSA-N	413.886	5.303	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(Cl)nc2C(F)(F)F)cc1	766861293	PTGVTEFLFPFKHM-UHFFFAOYSA-N	415.802	5.222	30	20	HKED	
COC1CCN(c2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2C(F)(F)F)CC1	777679002	AIYGQFZUMNAXGX-HNNXBMFYSA-N	403.448	5.365	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCC2	780486667	YCLDKYJGCWVONH-TZIWHRDSSA-N	402.523	5.306	30	20	HKED	
C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc(OCC#N)c1	783587119	GIQSCLZBUKUFBC-GFCCVEGCSA-N	411.811	5.090	30	20	HKED	
C[C@]1(C#N)CCCN(Cn2nc(-c3ccccc3Cl)n(C3CCCC3)c2=S)C1	784012325	ICKJRLBJXKDOEK-OAQYLSRUSA-N	415.994	5.433	30	20	HKED	
COc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c(OCc2ccccc2)c1	784459441	MTNQLIFLBZXQPS-KRWDZBQOSA-N	417.465	5.209	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1c[nH]c2ccccc12	786361258	UIYHUJQVTWUNGM-KXBFYZLASA-N	410.502	5.533	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2nc3c(Cl)cccc3n2CC(F)(F)F)c1	789357706	OLZGYPOHGXCEAE-UHFFFAOYSA-N	408.836	5.042	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/Cc3cc(Br)cc(C)c3C2=O)cn1	792905230	KDVXKCXZBRUORV-PXNMLYILSA-N	421.294	5.046	30	20	HKED	
CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)cc1	793163894	QQLLEHYCZHRFKX-UHFFFAOYSA-N	403.570	5.184	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)c1	795751561	HDOINLOINUYXRX-QGZVFWFLSA-N	404.470	5.324	30	20	HKED	
Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)sc2ccc(C#N)cc12	796615757	QHZCWMZRFBIIDX-LLVKDONJSA-N	416.861	5.058	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1O	811596174	BMDSYPRHNADQQH-UHFFFAOYSA-N	416.477	5.020	30	20	HKED	
O=C(/C=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cc(Br)ncc1F	811693197	HQBSJHHMNOYYTO-UPHRSURJSA-N	420.021	5.094	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](C=NNc1nc(-c2ccccc2)cs1)CC(F)(F)F	814768902	FHZMVLDBDQSGJA-ZDUSSCGKSA-N	414.453	5.054	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(N3CCc4sccc4C3)cc2)c1	864009342	PIHCXTSENXNMHJ-UHFFFAOYSA-N	424.367	5.557	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1OC	915700637	XXSBKPHAYVQYAB-HXUWFJFHSA-N	402.454	5.027	30	20	HKED	
CC(=NNc1nccc2sccc12)c1ccc(OCC(=O)Nc2ccccc2)cc1	915978891	GTIGLVVZSSCGGC-UHFFFAOYSA-N	416.506	5.150	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1nc2cc(C(F)(F)F)ccc2s1	917042680	FQRBNZHXELXQRW-CKYFFXLPSA-N	420.378	5.860	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2C2CCCCC2)c1=S	917478202	LNVLRWYPTBVEJD-HXUWFJFHSA-N	412.603	5.278	30	20	HKED	
COc1ccc(OCc2nc(/C=C3/CSc4ccc(F)cc4C3=O)cs2)cc1	920063623	BEBAXOPBFFMFBN-JYRVWZFOSA-N	413.495	5.242	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccccc2)cc1	920101490	BNAQUMSQXJMKMA-QFIPXVFZSA-N	408.457	5.261	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1	920269378	UACCGQOHWJVFOJ-APWZRJJASA-N	405.523	5.281	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Cc3c(Cl)cccc3C2=O)cs1	921263270	ANWKEFAQWRSGPN-UKTHLTGXSA-N	412.873	5.443	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cnc3Cl)cc2)CCC1	1787568069	FHMFPGKAWSQXPT-INIZCTEOSA-N	411.933	5.003	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1	1791300197	HVGAXHMUJNQIGZ-UHFFFAOYSA-N	424.447	5.392	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(C)C)CCC2)CC1	1832489345	TZQVVKKQLODIEF-GOTSBHOMSA-N	414.634	5.201	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cccc(C)c1C	10167782	SHBNVJMHVWJXLM-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(C)cc2)cc1	10173186	GABQFSNKPAZPIT-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
C=CCn1c(SCc2cc(-c3cccs3)on2)nc2cc(Cl)ccc2c1=O	15350841	RZKDLSFRVOAQSA-UHFFFAOYSA-N	415.927	5.245	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1	48164115	PEONEODPOFTMEJ-IBGZPJMESA-N	407.473	5.386	30	20	HKED	
C=CCN(C(=O)CCCn1cccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	109583020	VNPMMJZXFXRBEZ-UHFFFAOYSA-N	421.353	5.313	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OC1CCCC1	195662645	IJPITOSLPKKXBK-GOSISDBHSA-N	419.506	5.025	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCc3cc(Br)cs3)c2)c1	236592446	CWDBLGDOXZPFKP-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1	237503550	AEQKXPAJKRVMJJ-RBUKOAKNSA-N	404.485	5.546	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1	303364380	ICSSGANMNGQBQG-MDZRGWNJSA-N	409.555	5.851	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1	303474787	NPSNOQGVVDJBEW-SANMLTNESA-N	410.517	5.282	30	20	HKED	
CC1(C)C(=O)Nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc21	426175213	RZZBJXNGGNOEQO-OAHLLOKOSA-N	421.909	5.183	30	20	HKED	
C/C(=C/c1ccccc1)CN(C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	427204911	PTICFPFYSPPEBT-CYVLTUHYSA-N	412.537	5.256	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(CCC#N)CCC(C)C)c(C)c2)n1	429058266	DQQURGPSHLTCQL-UHFFFAOYSA-N	402.589	5.705	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)c1	430733447	FQHZOTXPDBSKTQ-UHFFFAOYSA-N	410.445	5.412	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Cl	431349451	IFZNIBIHPIUSAR-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
Cc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1Oc1cccnc1	432759904	LBDCRMCKGXIIAX-JOCHJYFZSA-N	400.482	5.739	30	20	HKED	
CN(C)C(=O)Nc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c(Cl)c1	435061170	OPGQEZNLPUNXNB-UHFFFAOYSA-N	424.913	5.286	30	20	HKED	
CCc1ccc(OCc2nnc(S[C@@H](C#N)CC)n2[C@H](C)c2ccccc2)cc1	436043536	SFWMKXKVAFQPJB-DYESRHJHSA-N	406.555	5.423	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)cs1	437611321	CYXAZLYSJJHWNJ-UNMCSNQZSA-N	402.523	5.422	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl	438062643	NVCMWENNOMLAIU-NHYWBVRUSA-N	422.337	5.500	30	20	HKED	
Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1OCC(F)(F)F	438337354	YHZXXPRZYJVPHN-RBUKOAKNSA-N	417.431	5.240	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc2c(c1)OCO2	438653380	CSUSBCOJIULVDW-CQSZACIVSA-N	419.412	5.101	30	20	HKED	
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1	438779988	PXHFJEWKNPSVAD-UHFFFAOYSA-N	413.568	5.011	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(C#N)cc1	439563419	AGJLMFAMECQMLC-KRWDZBQOSA-N	415.924	5.864	30	20	HKED	
CN(C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccc(C#N)cc1	439931069	ZCWAPUIUKBITRG-UHFFFAOYSA-N	421.294	5.176	30	20	HKED	
N#C[C@H](C(=O)c1ncccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F	442522850	HPPSVYGHSYUOMW-OAHLLOKOSA-N	404.376	5.109	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCCC1(C)C	444897235	NJLXLXVFJISXCH-JOCHJYFZSA-N	423.532	5.606	30	20	HKED	
Cc1ccc(C#N)c(N2CCC[C@H](c3nc(C(C)(C)c4ccccc4Cl)no3)C2)n1	445694367	DXMMKICSKUVROG-KRWDZBQOSA-N	421.932	5.008	30	20	HKED	
CC(C)c1ccc2ncc(C#N)c(N3CCC(NC(=O)Nc4ccccc4)CC3)c2c1	447673360	XUQLYNMHTKAFKO-UHFFFAOYSA-N	413.525	5.020	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)n1Cc1ccncc1	460372245	DLJQGOAUOHMEMV-SFHVURJKSA-N	420.925	5.301	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCCO2	469330827	UIVDIUWOUABBFS-QFIPXVFZSA-N	403.526	5.212	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)nc2ccccc21	480921332	NSTCYHDQWSSPQU-GOSISDBHSA-N	408.486	5.340	30	20	HKED	
CN(C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCC(F)(F)CC1	481324103	WPYHPUXZIMMKLT-ZDUSSCGKSA-N	418.328	5.528	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccc(C)cc1	481401361	LMZPIAAJWCGMFO-KRWDZBQOSA-N	417.538	5.267	30	20	HKED	
C[C@@H](NCc1nccn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	482254383	INELIWQTHIUDLO-SECBINFHSA-N	419.291	5.334	30	20	HKED	
CSc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C	482578210	GCVAMODMSVCOAW-LLVKDONJSA-N	423.350	5.062	30	20	HKED	
N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nccc2ccccc12	483196928	LMRGUWLVOPHWPM-LJQANCHMSA-N	421.485	5.034	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C	483696254	UWSJDJATEIZYPR-HNNXBMFYSA-N	419.485	5.479	30	20	HKED	
CCS[C@@H](C)c1noc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1	485033866	OTXOLVYYWMHYQK-INIZCTEOSA-N	410.518	5.097	30	20	HKED	
C=CCn1c(SCc2noc(-c3cccs3)n2)nnc1-c1cccc(Cl)c1	489645978	XVEGGYPJAOWRCL-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2oc3c(Cl)cccc3c2C)c1C#N	501742135	BJVLVOYFUZTTRW-UHFFFAOYSA-N	422.897	5.426	30	20	HKED	
Cc1cc(-c2cc(C(=O)N3CCC(C)(C#N)CC3)c3cnn(C(C)C)c3n2)c(C)s1	507828392	IYZZWESKCGYQSG-UHFFFAOYSA-N	421.570	5.123	30	20	HKED	
CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)NCc1ccc(C#N)cc1	509280227	SPRFJUZWVYEWIP-UHFFFAOYSA-N	407.514	5.546	30	20	HKED	
Cc1ccc(-c2ccsc2C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1	509954911	FZLVWYQLKAXLCP-UHFFFAOYSA-N	417.534	5.110	30	20	HKED	
N#CCC[C@H](NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)c1ccccc1	511566639	QJIMABFWKQIKJF-PZJWPPBQSA-N	419.422	5.331	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1	513596134	XHZNHWCXFDSPTD-HXUWFJFHSA-N	400.473	5.209	30	20	HKED	
C=CCC[C@H](NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1)c1ccccc1	517050101	GEEYMWYMLWSXTG-NRFANRHFSA-N	424.591	5.162	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1cccc(C(=O)NCc2ccco2)c1	517534841	GNIHJDHFGQGXKC-KRWDZBQOSA-N	405.523	5.216	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2	517670628	LDPUKRWNFMQNMQ-UHFFFAOYSA-N	407.545	5.699	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1OC(F)F	518165514	HKVZDJRGLRSYME-HOCLYGCPSA-N	419.497	5.813	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1	519183357	ARMNCCMFYNURRO-LJQANCHMSA-N	406.486	5.214	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C	520097093	URDFBIYMTHVHFT-UHFFFAOYSA-N	414.509	5.143	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2cccs2)n1	520907480	HPBIBDQIXHFYRH-CQSZACIVSA-N	410.545	6.042	30	20	HKED	
N#C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1c(Cl)cccc1Cl	521241102	WRHRTDDPFGJKPD-AWEZNQCLSA-N	406.269	5.251	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)cs1	522827195	UUSBTJXTKOTBHX-UHFFFAOYSA-N	418.566	5.358	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	523132224	SYHCRIAMAHDFFF-GOSISDBHSA-N	416.452	5.128	30	20	HKED	
Cn1c([C@@H]2CCCN2C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)nc2ccccc21	524112298	UCPSXDLXNNFULE-DEOSSOPVSA-N	421.504	5.166	30	20	HKED	
Cc1nc(-c2ccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)cc2)cs1	525960663	WHZOIQQGEQHXJC-UHFFFAOYSA-N	401.451	5.059	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)C34C[C@H]5C[C@@H](CC(F)(C5)C3)C4)c2)c1	532455667	QAKPEOVAYWVEKK-LYBIEXDWSA-N	417.484	5.058	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](C3CCOCC3)C2)cc1Cl	532852299	KFWAJGBFUSAERC-KNQAVFIVSA-N	423.944	5.276	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)Cc1cccs1	533776627	IBQYTVHHJUOIDK-UHFFFAOYSA-N	411.596	5.694	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(C2CC2)n1	534682047	CPMWGTZHLVLDON-ZDUSSCGKSA-N	403.598	5.144	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1c(C)noc1C	536060330	XGHTUAQQPBHFLG-FQEVSTJZSA-N	422.460	5.154	30	20	HKED	
C=C(C)COc1cc(CNc2cccc3c2CN(c2ccccn2)C3)ccc1OC	537327516	PPEZQXHAFQSESS-UHFFFAOYSA-N	401.510	5.177	30	20	HKED	
Cc1cc(NC(=O)N(CCC(C)C)Cc2ccc(Cl)c(Cl)c2)nn1CCC#N	537515312	GWUYHRXKXFMVBI-UHFFFAOYSA-N	422.360	5.492	30	20	HKED	
CCC(CC)c1cc(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)on1	538062342	OFSXJMGWGMNVBP-UHFFFAOYSA-N	402.498	5.116	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc(Br)c1	540452063	RABVJGCNZFXISD-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	547418031	WVPMFMFUDVAEQB-FZKQIMNGSA-N	403.404	5.201	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	558755367	OFEYSRNSSABHRS-IBGZPJMESA-N	418.537	5.082	30	20	HKED	
COc1ccc([C@@H](Cc2ccncc2)NCC#Cc2ccc(C(F)(F)F)cc2)cc1	560546050	POQVSDBJDOEJAZ-HSZRJFAPSA-N	410.439	5.034	30	20	HKED	
CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	568835145	HAAAIXPHRNUYFK-CQSZACIVSA-N	418.806	5.196	30	20	HKED	
C[C@H](NC(=O)Nc1cccnc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	573012883	TWIWADOWZFKQQL-AWEZNQCLSA-N	410.399	5.522	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@H](C#N)c1ccc(F)cc1	575776172	BDCAIFFIZIDPJY-MRXNPFEDSA-N	404.228	5.091	30	20	HKED	
N#CC1(CC(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)CC1	590203875	QEUASIHVVAYCEO-UHFFFAOYSA-N	405.445	5.262	30	20	HKED	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	590765844	VXXVUSKVCZGHQK-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc1	603569521	LXOVMBABROHLHW-UHFFFAOYSA-N	422.859	6.627	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	603673317	DFBZQUVKJHUHRB-QFIPXVFZSA-N	404.897	5.575	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc3ccccc3c2)cc1	604004725	KVJADXCJSXWWNU-UHFFFAOYSA-N	420.512	6.056	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1	605921046	UQRZXZVBOOTLOE-UHFFFAOYSA-N	405.498	5.252	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(-c2cccnc2)cs1	606757343	KAJSMHQOYINOEZ-UHFFFAOYSA-N	405.401	5.041	30	20	HKED	
C[C@H](OCc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609062411	PLWLYDKEORRXGS-KRWDZBQOSA-N	420.896	5.334	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)s3)cc2)c1	609064433	WDQHPCODJOHWJZ-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)sc2c1	609161623	QYPDJRWPGAKQQI-UHFFFAOYSA-N	423.969	5.083	30	20	HKED	
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c12	609359336	OJNCFKZDYIZSTB-UHFFFAOYSA-N	419.529	5.369	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1	609398561	BLISAIJTPQEBGP-RFWXGWTQSA-N	423.582	5.570	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1	609436829	HCKRHCQKQMJWMS-LSDHHAIUSA-N	421.488	6.325	30	20	HKED	
C=CC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1	609506687	JIEIKSAXQNKRDY-UHFFFAOYSA-N	416.861	5.087	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)cc2)nc1	609507951	OBGBEHSCCUTNBL-LJQANCHMSA-N	403.869	5.029	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)ccc21	609650999	FLNVTOQNHWYEJK-UHFFFAOYSA-N	406.795	5.413	30	20	HKED	
Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1	609810740	BHRIXWWNUSWJIB-DENIHFKCSA-N	407.583	6.396	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	610319764	JPCRAVRUIQUMSF-HSZRJFAPSA-N	412.493	5.813	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccccc2Cl)cc1	610466074	XUCANTBAXIYMNO-UHFFFAOYSA-N	407.857	5.462	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)C1	612321254	UHYKLMVDMFKOST-HNNXBMFYSA-N	410.223	5.092	30	20	HKED	
FC(F)(F)COc1ccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	618540067	QQGPWECLWHNLHK-TXEJJXNPSA-N	409.292	5.190	30	20	HKED	
CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2c(C)[nH]c3ccccc23)CC1	619815216	BIMQPNGUNRKNNY-UHFFFAOYSA-N	410.525	5.010	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1nc2cc(F)ccc2s1	683223384	WJXWCQPABJPOAK-VIFPVBQESA-N	400.303	5.222	30	20	HKED	
Cc1ncccc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	685572308	NRBPMSLKWAGRFI-AWEZNQCLSA-N	416.287	5.821	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(\C)c3ccccc3OC)n2)cc1	727631196	BDUKNOJBZGZZLQ-QZEGLACASA-N	404.491	5.107	30	20	HKED	
COc1cc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc(Cl)c1O	727685739	YSWOAKFAQRYGEZ-MDWZMJQESA-N	415.873	5.529	30	20	HKED	
COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1F	727980953	WUOYWOHOOCWPKL-UHFFFAOYSA-N	407.470	5.094	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(OC(F)F)cc1OC(F)F	728156909	JAQXDTCBSCUMCJ-DAXSKMNVSA-N	424.375	5.304	30	20	HKED	
COc1cc(/C=C2/Cc3c(C)cccc3C2=O)cc(Br)c1OC(F)F	729151376	RYUYHECBADCABV-SDQBBNPISA-N	409.226	5.190	30	20	HKED	
CC(=O)Nc1c(C)cccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	729331687	YHKAGLKPZHAAPV-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@H]1CCCc2ccccc21	731096294	CKEPQBAFSPOWIS-IEBWSBKVSA-N	422.550	5.073	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)OCc3ccccc3Oc3cccnc3)cc2)nc1	732399127	VZWWDWPYCWQMSE-UHFFFAOYSA-N	423.428	5.290	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2SCC(F)(F)F)c1	733842855	CBADRCRGBDOCNS-OAHLLOKOSA-N	423.460	5.344	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)c1	733846411	DPFCPJDFJQPXHD-SFHVURJKSA-N	419.447	5.121	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1)c1ccncc1	734667241	BRSYQKAXCMDKIB-CJFMBICVSA-N	415.537	5.647	30	20	HKED	
C=C(Cl)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	736245610	YZQDSHFDLWPGNQ-GDNBJRDFSA-N	413.886	5.004	30	20	HKED	
CCN(CC)c1ccc2cc(C(=O)/C=C\c3cnc(C(C)(C)C)s3)c(=O)oc2c1	736432541	AGVASBMMYHJSFX-KHPPLWFESA-N	410.539	5.289	30	20	HKED	
CCOc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)cc(Cl)c1OC	740012192	ZXLLCSKVOBTGBN-UHFFFAOYSA-N	412.942	5.637	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2Cl)cc1	740436846	HKXODOWKLJUVIO-QFIPXVFZSA-N	421.884	5.162	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)c1C#N	741309473	AKOMXWZZFYUQLK-CYBMUJFWSA-N	405.479	5.126	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cnc(C(C)(C)C)s2)cc1	744032857	ISZMHDQFHDPSKY-CRZWQAPHSA-N	409.555	5.315	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1	746871796	NSRNVFHEEBTUPD-SFHVURJKSA-N	422.941	5.304	30	20	HKED	
COc1ccc(CNC(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1C#N	747430108	GUMCBHCCAHNPET-AWEZNQCLSA-N	417.431	5.021	30	20	HKED	
CC[C@@H](C)c1ccc(-c2cc(C(=O)Nc3cnn(CC#N)c3)c3ccccc3n2)cc1	747438654	KSVZDWBBYVSKJK-QGZVFWFLSA-N	409.493	5.388	30	20	HKED	
CCN(C)c1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1	748442835	YLKQFUJYUIJZBB-NTEUORMPSA-N	423.513	5.319	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1)c1ccccc1	749221129	HOBKNNFEBGPMED-FCHUYYIVSA-N	419.550	5.038	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2cccc(Cl)c2o1	753198806	PMGIGSIKSOTYIF-UHFFFAOYSA-N	403.825	5.706	30	20	HKED	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)Nc1cccc(OCCCC#N)c1	757445158	HRRWLZXUEGSOTH-UHFFFAOYSA-N	415.493	5.369	30	20	HKED	
CC(C)c1ccc(-c2ncc(COC(=O)Cc3cccc(OCC#N)c3)s2)cc1	760639156	RNZPOXJBOFWVDV-UHFFFAOYSA-N	406.507	5.122	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C34C[C@H]5C[C@@H](CC(F)(C5)C3)C4)n2)cc1	766325056	KBPHYSCDDFYHHX-HLGIAFBFSA-N	410.514	5.303	30	20	HKED	
COCCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	768621050	BZMBPISTYNISSY-IAGOWNOFSA-N	406.448	5.206	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](c3cccc4ccccc34)C2=O)cc1	771908028	WWTQUMUVVVXZMQ-LOSJGSFVSA-N	417.468	5.293	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cn(C)c2ccccc12	774008516	WOGXZROAHVNKPN-HNAYVOBHSA-N	410.502	5.153	30	20	HKED	
C[C@@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc(OCC#N)cc1	775586481	QAPKTFRIRJNIER-XCLFUZPHSA-N	403.295	5.292	30	20	HKED	
O=C(Nc1cccc(C(F)(F)F)n1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	775741898	MLXLCWBWRWFHJH-YUMQZZPRSA-N	423.279	5.131	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCc2c(Cl)cccc21	776075989	ADFDDTBNVKNMBD-HOTGVXAUSA-N	407.684	5.024	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	779055120	DXILWSRPUURZHR-UHFFFAOYSA-N	403.454	5.028	30	20	HKED	
C[C@H](OC(=O)CCC(C)(C)C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	783987844	JDQZCJUYDKHLAI-ROUUACIJSA-N	418.493	5.145	30	20	HKED	
C=C[C@](C)(CC)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	785467517	XZMVEBAVFRXUFQ-HXUWFJFHSA-N	402.834	5.008	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nccc2ccccc12)c1csc(-c2cccs2)n1	800410447	XSZLTIUZXJQLIQ-MRXNPFEDSA-N	403.532	5.574	30	20	HKED	
N#CCCn1cc(/C=C2/Cc3ccc(Br)cc3C2=O)c(-c2ccccc2)n1	800795929	FDCGNXXHOWVCRP-ATVHPVEESA-N	418.294	5.049	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1	802043198	SWRRZLVKPDXJEA-OALUTQOASA-N	420.406	5.406	30	20	HKED	
CC[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc(Cl)cc(Cl)c1O	806155021	LLSUBNDHBABHHT-IBGZPJMESA-N	420.340	5.095	30	20	HKED	
N#C[C@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccn1	813213585	NZQMTHMCFNYRGL-FPOVZHCZSA-N	408.423	5.693	30	20	HKED	
CN(C)c1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2)cc1	815925566	JBAZBCQLGZHVCV-INIZCTEOSA-N	423.488	5.062	30	20	HKED	
CN(CCC#N)c1ccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1	914795807	BXYIOYYNYSEQEE-GJZGRUSLSA-N	407.402	5.036	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1	915087167	QWTBQRXBXUHJSS-XMMPIXPASA-N	408.457	5.766	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1	915104073	JOSYNKWLVUQALB-LLVKDONJSA-N	408.426	5.216	30	20	HKED	
CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1	915308631	MABNTVUMCMOILO-QHCPKHFHSA-N	423.520	5.059	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(C)Cc2ccc(Cl)cc2Cl)c1=S	915821229	QTWVBQMSZTUWSP-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
COc1cc(N=Cc2cc(Br)ccc2O)ccc1NC(=O)OC(C)(C)C	915982765	BOJQNLVPSVMPDD-UHFFFAOYSA-N	421.291	5.261	30	20	HKED	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Br	916140212	GIDUQZQRXOXIMV-BAQGIRSFSA-N	411.049	5.016	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(C3SCCS3)c2)o1	916731518	OHWIJTRKSZAJSD-UHFFFAOYSA-N	422.531	5.461	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)n2)cc1	916974377	JORKYTITECWYOU-IERDGZPVSA-N	402.519	5.251	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNc2snc(Cl)c2C#N)cc1	917084086	PSBONQOJMFMJHP-UHFFFAOYSA-N	400.891	5.256	30	20	HKED	
COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O	917561945	BNIUPNDVCYEJHG-WJDWOHSUSA-N	422.481	5.188	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(F)cccc4Cl)cc3)CCC2)C1	1790224974	KRMOTEPAUZLTDV-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1	1791244026	JMHBQNSWSCOXQJ-VQIMIIECSA-N	404.501	5.158	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)C1	1804865965	CMLCHHXMZHDLJR-JOCHJYFZSA-N	424.629	5.404	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1	1829065176	UVSVIGWHYLOMKK-PMACEKPBSA-N	424.576	5.034	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c(C)c1	10168877	VPVFFMJRPHDFAB-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2cccc(O)c2)c1	10172686	YSXWQFRFKZRNPZ-UHFFFAOYSA-O	411.572	5.026	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(CC)cc2)cc1	10173614	UFTCRTSJSWVIPO-UHFFFAOYSA-O	423.627	5.828	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2cccc(C)c2)cc1	22732335	CQVIATATEWSVKQ-UHFFFAOYSA-O	419.570	5.295	30	20	HKED	
CCc1cccc(C)c1Nc1nnc(SCCC(=O)Nc2ccccc2C#N)s1	24900781	DBZTZAXTXCASJR-UHFFFAOYSA-N	423.567	5.145	30	20	HKED	
C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc23)nnc1-c1ccco1	29547412	NQJRZRRNKXHYTI-UHFFFAOYSA-N	418.522	5.023	30	20	HKED	
C=CCN(C(=O)c1sc(Cc2ccccc2)nc1C)c1nc2c(s1)CCCC2	33155447	WZJGJCSETMJSRD-UHFFFAOYSA-N	409.580	5.210	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccn(-c3ccccc3)n2)cc1	43695096	ZKJXJFDJFZOFGQ-UHFFFAOYSA-N	410.502	5.289	30	20	HKED	
Cn1ccnc1SCc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)o1	46333303	GXLSAXLTUNWXFN-UHFFFAOYSA-N	419.531	5.019	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccc(C#N)cc1	62413910	PNMCNNSHYBQCAG-OAHLLOKOSA-N	406.873	5.068	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C	71891590	LVDUHGHNLCINST-UHFFFAOYSA-N	421.522	5.088	30	20	HKED	
Cc1ccc(SCCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1C	107831858	DWTRWRXMQMGTGF-UHFFFAOYSA-N	406.473	5.248	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	303269723	GZPIWSNIEVZAPD-KRWDZBQOSA-N	413.502	5.855	30	20	HKED	
Cc1ccc(-c2noc([C@H](C)N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2)cc1F	303689885	PFOJPUMPIBEDJU-JTQLQIEISA-N	411.321	5.062	30	20	HKED	
C=CCn1c(SCc2nc(C)c(C)s2)nnc1-c1ccc(Br)cc1	426614767	GUBLZDULTMIYFA-UHFFFAOYSA-N	421.389	5.259	30	20	HKED	
Cc1nc(C(C)C)oc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	429678488	AKOCIMWUNMEYEV-ZDUSSCGKSA-N	420.321	6.027	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c2cnn(C(C)C)c2n1	430611753	PFVUERBNYWTFLW-HNNXBMFYSA-N	409.559	5.380	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)NCC2(CC#N)CC2)cc1	431121765	XXUTUBMSKIUKCL-UHFFFAOYSA-N	401.535	5.138	30	20	HKED	
Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(OC[C@H]2CCCO2)c1	432760405	UEYZDFIJPOCLGR-NHCUHLMSSA-N	407.514	5.110	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OCC2CC2)CC1	437835625	GWSTUEDPFXYQSJ-UHFFFAOYSA-N	405.498	5.082	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12	437889361	KNWRQGWAOZYUTC-PKOBYXMFSA-N	422.435	5.140	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cc(Br)cc1F	438636121	XJSGQNOGZURUQP-UHFFFAOYSA-N	422.273	5.289	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438653176	WQDMKXYYNUMPFH-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	438668324	FJPUADHYAULJLY-UHFFFAOYSA-N	424.501	5.565	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1	438780650	RTFTWBDNDLKJAR-AWEZNQCLSA-N	412.415	5.353	30	20	HKED	
COc1cc(OC)c(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl	440583768	TVVXEZYGMKBDQS-LBPRGKRZSA-N	405.907	5.395	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	444730887	UKQADGXYAYKTQV-UHFFFAOYSA-N	401.422	5.322	30	20	HKED	
C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)CCCC1(C)C	444778222	VCKLAMPOAJXXPO-FQEVSTJZSA-N	418.006	6.048	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1nc(C(C)(C)C)cs1	445593475	ORWCJSJCGOOCNK-UHFFFAOYSA-N	418.563	5.229	30	20	HKED	
CCc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	445917098	HZUIRUXWEBBVTG-OAQYLSRUSA-N	417.896	5.135	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NC(=O)c1cn(CCCC#N)c2ccccc12	469534638	CHRDMFXQTUKILY-UHFFFAOYSA-N	403.526	5.821	30	20	HKED	
CC(C)Cc1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1	473663339	RQMCTFHBRDIESA-UHFFFAOYSA-N	402.523	5.091	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)c1	474532912	GBGJAMFTLZRYQY-NRFANRHFSA-N	410.901	5.035	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1	475178379	YKDIOFFZQMTMOZ-RBUKOAKNSA-N	407.583	5.178	30	20	HKED	
COc1ccc(CC[C@H]2CCCCN2C(=O)C[C@H](CC#N)c2ccccc2)cc1OC	475538202	QSFGXZXUZUKFGN-XZOQPEGZSA-N	420.553	5.105	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)c2ccsc2)CC1	475552356	LPIUIIHFGPEYNH-UHFFFAOYSA-N	411.571	5.026	30	20	HKED	
CC(C)(C#N)CCC[S@@](=O)Cc1csc(-c2ccc(Br)cc2)n1	476899830	RXASNGPFONUDAP-HSZRJFAPSA-N	411.390	5.151	30	20	HKED	
CC(C)c1csc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1	478230415	PEPCKONNVPDTBH-UHFFFAOYSA-N	420.538	5.233	30	20	HKED	
CCc1cc(Br)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	478630080	HAPQMUKERUMPCD-UHFFFAOYSA-N	422.282	5.323	30	20	HKED	
C[C@@H](c1ccccc1)N(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C1CC1	480366186	LPLAXDMZLFEBOC-HNNXBMFYSA-N	405.889	5.155	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1	480548787	FULBHKDKOYVKIC-QFBILLFUSA-N	420.538	5.839	30	20	HKED	
CCS[C@H]1CCCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	481328884	FAORUWFYVDWZFD-QFIPXVFZSA-N	423.582	5.471	30	20	HKED	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	482921054	RUTNZBSHWLZLAZ-KRWDZBQOSA-N	401.466	5.151	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)oc2c(C)cc(Br)cc12	483197395	LCVXEIJZUHICJA-HNNXBMFYSA-N	420.266	5.245	30	20	HKED	
Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c3c(C)noc3n2)c(C)o1	483219971	VJVIQJAOLZJRSG-HXUWFJFHSA-N	422.444	5.446	30	20	HKED	
N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nccc2ccccc12	483246717	USVPASDUJZNKBT-HSZRJFAPSA-N	401.469	5.728	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)cc1	483435687	HKFUCDIZNPLJAT-ZEQRLZLVSA-N	416.452	5.140	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	488784950	QDPGQWJAZFGDSF-JTQLQIEISA-N	419.293	5.034	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)cc(Br)c1F	490518453	AHEZBPUAQCCENL-RHSMWYFYSA-N	420.257	5.031	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1	496499257	UPVTXUILSFJWNB-SBUREZEXSA-N	419.912	5.012	30	20	HKED	
C=CCN(C(=O)c1sccc1C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	497991155	MGPSFWNCHSFBTD-UHFFFAOYSA-N	420.346	5.883	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1	500897041	KPZOWEZSMDXCKF-HXUWFJFHSA-N	401.470	5.066	30	20	HKED	
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)N2CCC(C)(C#N)CC2)cc1	507825391	MZSQAAYIDFMPOV-UHFFFAOYSA-N	415.562	5.480	30	20	HKED	
CC1(C#N)CCN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CC1	507831359	WDKDVERYHLSRBL-UHFFFAOYSA-N	419.377	6.052	30	20	HKED	
COCCC[C@@H](c1ccc(Cl)cc1)c1noc([C@H](C)Oc2ccc(C#N)cc2)n1	508668391	XSDMDUJASQGGDU-YWZLYKJASA-N	411.889	5.293	30	20	HKED	
CCN(CC#N)C(=O)c1cc(/C=C/c2ccc(C)o2)nc2ccc(Br)cc12	509216301	CGLFBPIBNOXQLP-SOFGYWHQSA-N	424.298	5.055	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2cnc([C@@H]3CCCO3)s2)cc1	510419790	AKPURIAMTOZLTG-QFIPXVFZSA-N	407.514	5.208	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)Cc1cccc(O)c1	510663226	FOOYSSGHMLCBCT-QGZVFWFLSA-N	401.466	5.117	30	20	HKED	
O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510950181	TWOHZXFTMJRDFA-UXIGCNINSA-N	414.365	5.487	30	20	HKED	
CCOc1ccc(Oc2cc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)ccn2)cc1	511263668	BILXOCJVVQGREA-UHFFFAOYSA-N	422.872	5.119	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@H](N[C@H](C)c2ccc(C#N)cc2F)CCC3)cc1	512628079	CUJQALMBDCALHC-JLTOFOAXSA-N	407.514	5.558	30	20	HKED	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1	513656094	XSEZGQGQLBGJQG-HNNXBMFYSA-N	423.494	5.269	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	513863801	MFWJIAKPKLIJMF-UHFFFAOYSA-N	407.420	5.683	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	517614577	PWAAQPGRPUUMPS-ZWKOTPCHSA-N	410.587	5.332	30	20	HKED	
C[C@H](NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl)c1ccc(C#N)cc1	518641385	MFZVNNXAOHROBE-HNNXBMFYSA-N	406.917	5.321	30	20	HKED	
C=CCOc1ccccc1CNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	521987120	IIXXHTFBURFWFH-OALUTQOASA-N	404.535	5.227	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1	523696943	SUDJFRVDLGJIIT-OAQYLSRUSA-N	414.465	5.123	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](C2CCN(C)CC2)C1)c1ccc(C(F)(F)F)cc1	534442848	PVBJYKNRIWUXBI-CTNGQTDRSA-N	423.523	5.086	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNc2cccc3c2CN(c2nccs2)C3)cc1	534688841	CHTKGEROEKJCJU-UHFFFAOYSA-N	408.530	5.814	30	20	HKED	
N#CC1(c2ccc(C(=O)N(c3ccccc3)c3ncccc3Br)cc2)CC1	538543773	WCBGQVFTKGZZDH-UHFFFAOYSA-N	418.294	5.378	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1	538808030	SOWCLOGTWKXLIT-QGZVFWFLSA-N	418.516	5.030	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ncccc3C(F)(F)F)c2C#N)C1	538845734	VLSJYOUUJATZAO-LLVKDONJSA-N	407.461	5.437	30	20	HKED	
N#Cc1cccc(NC(=O)C2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)c1	541121216	XVDHKVWNBXHSAR-UHFFFAOYSA-N	424.504	5.167	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cc[nH]c1	544026769	NVZUYSCDVXODLR-NSHDSACASA-N	404.232	5.086	30	20	HKED	
CCCCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1OC	544323302	VVUNIVJJOMYYSV-GOSISDBHSA-N	421.541	5.181	30	20	HKED	
CCC[C@]12CCCN1C(=O)N(c1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)C2=O	552775771	JXGMQTNTPLOTQQ-JOCHJYFZSA-N	409.873	5.105	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OC2CCCCC2)CC1	553320085	PTSLXXBORQFTCA-KRWDZBQOSA-N	401.576	5.426	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1sccc1Br	553395676	MZXRNQJGYRRLDE-LLVKDONJSA-N	410.362	5.084	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC(=O)c2ccccc21	555881187	CGCHKIIRJXJRPT-HSZRJFAPSA-N	412.464	5.299	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(C#N)cc2)c1)c1ccccc1	558408851	KBYBYOJRBSIICH-UHFFFAOYSA-N	417.896	5.060	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)cc1	561492718	NRRCQROOOBVADC-FPOVZHCZSA-N	407.583	5.876	30	20	HKED	
Cc1c(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)oc2ccccc12	574065265	HNGHKILHIWRAPJ-UHFFFAOYSA-N	424.460	5.187	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2)ccn1	575099408	WFEJIHNXXJKODL-DEOSSOPVSA-N	421.460	5.052	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1S[C@@H](C)CC#N	575772727	HZFRNWUYWAOIRN-RJJVWVDVSA-N	423.582	5.554	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(F)c1	598583754	QMVXAESMYIGVKD-CQSZACIVSA-N	421.497	5.269	30	20	HKED	
N#CCCCOc1cccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)c1	603983144	WXJUXXICLKJFBZ-UHFFFAOYSA-N	406.463	5.069	30	20	HKED	
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1	604044616	YCHDAQUDWLVFJJ-WOJBJXKFSA-N	413.521	5.124	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3N3CCCCCC3)o2)cc1	609056053	DQHBOHPTYYNTGD-UHFFFAOYSA-N	415.493	5.363	30	20	HKED	
N#CC1(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)CCCC1	609066057	CZQCSJZIJRBEQP-UHFFFAOYSA-N	409.848	5.842	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(F)cc1F)C1CC1	609435485	QPGGLEQCFLQTHC-AWEZNQCLSA-N	401.482	5.556	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](n4ccnc4)C3)cc2Cl)cc1	609553673	AQTAWYYBDBWHCD-GOSISDBHSA-N	421.888	5.069	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)cc1Cl	610106884	JWDZUNJPHUJYTE-KNQAVFIVSA-N	406.844	5.077	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCc1ccnc(C#N)c1	610955833	CDBRLXLSWOCHIX-UHFFFAOYSA-N	410.399	5.145	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(C)C	612894623	CQBYUMWWCUJKQJ-IBGZPJMESA-N	420.534	5.652	30	20	HKED	
N#C[C@H](C(=O)c1occc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	613320412	YNPDQUDDXQEKEW-GOSISDBHSA-N	404.878	6.214	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccsc2[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613345939	ATDBRIVAUFZUIS-GFCCVEGCSA-N	418.330	6.150	30	20	HKED	
C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccc(C)cc4)csc3n2)c1C	614106351	WCPQLNJBQISCJN-UHFFFAOYSA-N	417.534	5.402	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N[C@H]1CCc2cc(C#N)ccc21	618789869	QYAJOXALPWDTTD-DJJJIMSYSA-N	407.926	5.044	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)NCc1cc(F)c(C(F)(F)F)cc1F	622601207	TVVVAMOZWZICJQ-UHFFFAOYSA-N	403.313	5.359	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cs2)cc1	624443435	SNLAZHBWTCQSJL-IBGZPJMESA-N	413.502	5.637	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	684695762	GQPWSVCYWSUGRY-DTWKUNHWSA-N	420.300	5.502	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-n3cccc3)c2)cc1C	726935055	VPQYEZWKLADHDX-UHFFFAOYSA-N	409.493	5.124	30	20	HKED	
COC(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1	728459004	HSVSDGMQNJPXNW-CQSZACIVSA-N	411.527	5.201	30	20	HKED	
CC(=NNc1ncnc2sc3c(c12)CCC3)c1csc(-c2csc(C)n2)c1	729140237	CDIKVSIMRKRVPL-UHFFFAOYSA-N	411.581	5.510	30	20	HKED	
C=C(C)CN(CC)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	729571408	JGQLQOUEFGWZFE-UHFFFAOYSA-N	401.429	5.482	30	20	HKED	
COc1ccccc1-c1nnc(S)n1N=Cc1cccc(-c2ccccc2C)c1	729635580	BTEMHKAFASBQCB-UHFFFAOYSA-N	400.507	5.100	30	20	HKED	
N#C[C@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc2cc(F)ccc2s1	730421214	JIPOEETVGVPWAL-LJQANCHMSA-N	416.477	5.281	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2c3ccccc3n(C)c2s1	731332419	LHBKRNCYFUFJME-AWEZNQCLSA-N	405.548	6.040	30	20	HKED	
COc1ccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1F	731399884	ICZAXAKJDWCZOJ-UHFFFAOYSA-N	405.429	5.162	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)c1cc(F)ccc1F	732377207	DDSBUCWGCNMCCQ-HNNXBMFYSA-N	421.399	5.251	30	20	HKED	
N#C[C@H](C(=O)CC[C@H]1CCCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1	732495547	CHOQCHGNGGOSFY-UKRRQHHQSA-N	409.338	5.642	30	20	HKED	
N#C[C@H](C(=O)C[C@H]1CCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	734705899	UCFURYPHQIMWCB-DENIHFKCSA-N	410.473	5.246	30	20	HKED	
Cc1ccc2[nH]cc(C=Nn3c(S)nnc3COc3ccc(C(C)(C)C)cc3)c2c1	735613074	YOFKZJBHBPZWRW-UHFFFAOYSA-N	419.554	5.115	30	20	HKED	
CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1	735788012	HWGYYAZRPGJQSH-TZZQJPOUSA-N	410.477	5.098	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	739142156	HAAJUMJVGBFSFV-FZKQIMNGSA-N	412.411	5.581	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	739835627	DNSBKMSQCJDSRF-HXUWFJFHSA-N	412.324	5.227	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=S)Nc1ccccc1C#N	741168614	PDANFHYASFEQIC-UHFFFAOYSA-N	415.497	5.368	30	20	HKED	
Cc1nc2sccn2c1C=NOCc1csc(-c2ccc(C(F)(F)F)cc2)n1	742359712	LZWCOFSKDCZILV-UHFFFAOYSA-N	422.457	5.397	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1	744029304	STTUOBXBCAJVGR-SAAWKEMMSA-N	406.791	5.110	30	20	HKED	
Cc1ccc(-c2noc([C@@H](C)ON=Cc3ccc(Br)cc3)n2)cc1F	744444861	CMCFOVOVFNSFRE-GFCCVEGCSA-N	404.239	5.058	30	20	HKED	
N#CCSc1ccccc1C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1	746206552	LLOWKTAEEKCJJO-UHFFFAOYSA-N	402.972	5.353	30	20	HKED	
C[C@H](C#N)CN(C)Cn1nc(-c2cccs2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S	746706548	MVADUYNMZZQDBB-FPSMNIFISA-N	415.632	5.189	30	20	HKED	
COc1ccc2c(c1)C(=O)/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2	747441065	RAVMPMMGDOJABH-BOPFTXTBSA-N	403.865	5.423	30	20	HKED	
O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(N2CCOC2=O)cc1	748584846	VALQQPSJTLTXMN-CSKARUKUSA-N	420.446	5.176	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccc(O)c2)cc(Br)c1OC(F)F	750899229	BFEMNVUAXQKAKW-SREVYHEPSA-N	413.214	5.051	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1	752165960	NTDPYDUCIOEFKB-FDMDGMSGSA-N	423.419	5.753	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C#N)cs1	752306270	MMRPYQHVMLCYCB-UHFFFAOYSA-N	411.405	5.238	30	20	HKED	
N#Cc1cnc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)s1	759632098	CPKFTMOXWCAGOV-UHFFFAOYSA-N	408.533	5.169	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	760197239	WQFZKRPSKKQUFT-KSSFIOAISA-N	408.910	5.549	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Cl)cc1Br)c1c(Cl)cccc1Cl	760544129	CGNIBDIXUZUBGU-CYBMUJFWSA-N	418.505	5.404	30	20	HKED	
N#Cc1cc(NC(=O)CCc2cccc(OC3CCCC3)c2)c(Cl)c([N+](=O)[O-])c1	764308019	WYRCSDIIZXLMTI-UHFFFAOYSA-N	413.861	5.013	30	20	HKED	
O=C(/C=C/c1ccc(Cl)s1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764753865	ZWZVSQPVHBVYHK-DUXPYHPUSA-N	402.690	5.129	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2cccc(C)c2)c1=S	764906257	YZSGGDHMNUIQFD-OAQYLSRUSA-N	405.571	5.155	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NCc1ccc(C#N)cc1	767944429	VHLYISXRBNCCRT-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
N#Cc1cccc([C@H]2CN(Cc3ccc(-c4nc5ccccc5s4)o3)CCO2)c1	770384695	MKWRMNJHTRRWOA-OAQYLSRUSA-N	401.491	5.001	30	20	HKED	
COc1ccc2nc(NN=C(C)c3sc(-c4cccnc4)nc3C)c(C)cc2c1	777911694	MHJJYNKXOHKRNY-UHFFFAOYSA-N	403.511	5.215	30	20	HKED	
N#Cc1cc(F)ccc1CN[C@H](CC(F)(F)F)c1ccc(Br)cc1	778459225	VWSJLKCCKRWIJH-MRXNPFEDSA-N	401.201	5.243	30	20	HKED	
Cc1ccccc1-n1c(C)cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1C	779197969	AYTYIBYFELNTNM-FQEVSTJZSA-N	412.518	5.411	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1	779487528	AFVCQOCLFAKTFA-UHFFFAOYSA-N	422.529	5.025	30	20	HKED	
Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cc(Cl)cs1	782185470	RMHWJGCIIUYOBR-UHFFFAOYSA-N	419.746	5.050	30	20	HKED	
CO[C@@H](C)c1nc(COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cs1	783542450	KWQAKZAFPAMKOA-ZDUSSCGKSA-N	412.442	5.011	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(Cc4ccccc4Cl)CC3)n2)cc1	784501126	XOMDIZGRQVJEKX-GOSISDBHSA-N	422.937	5.671	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](CC)c2ccccc2)c(Cl)c1	787037085	KJIBADLIJCEXPS-CTNGQTDRSA-N	412.917	5.109	30	20	HKED	
Cc1nc2cc(C(=O)OC[C@H](C#N)Cc3cccs3)ccc2n1Cc1ccsc1	788365352	LQPZAYVDXPUZQA-KRWDZBQOSA-N	421.547	5.055	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)O[C@H]([C@H]3CCCOC3)C(F)(F)F)cc2)cc1	789645698	NEWODUJHIUQCPL-FXAWDEMLSA-N	419.399	5.059	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1cnc2ccccc2n1	792114936	OKCZJLMZABKGOG-ULQDDVLXSA-N	410.502	5.166	30	20	HKED	
C=CCC(C)(C)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	796755923	NKTJUVVPYWUBLG-UHFFFAOYSA-N	402.834	5.008	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)OCCCC1(C#N)CCOCC1)c1ccccc1	800163692	QRWIABZGAAYZGA-QHCPKHFHSA-N	407.510	5.013	30	20	HKED	
CC(=O)Nc1ccc(C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1F	809126351	LSNIJGIQWWELCJ-HNNXBMFYSA-N	423.284	5.263	30	20	HKED	
COc1cc(/C=C2/CCc3[nH]c4ccccc4c3C2=O)cc(OC)c1OCC(F)F	809157793	NUSXABBULBTOFX-ZROIWOOFSA-N	413.420	5.042	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)ccc1O	811596194	CNCICYCPWABQIC-UHFFFAOYSA-N	402.450	5.233	30	20	HKED	
N#CCCC[C@H](NC(=S)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1	814210832	VANVNPPDPWTNRB-INIZCTEOSA-N	409.889	5.663	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)cc1C	814276471	YKILEBCUPFHKTL-XSFVSMFZSA-N	407.564	5.059	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1	828597588	JAWVCVKRBWEVEW-YADHBBJMSA-N	403.551	5.265	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1Cc1ccccc1	915282693	RPFCZXJDQSUAPP-XMMPIXPASA-N	420.516	5.402	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1	915352280	JGOSPGNDZXKWCR-CLJLJLNGSA-N	424.548	5.301	30	20	HKED	
O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc(Br)s1	915981231	LDTADNQFRPVXLJ-FPLPWBNLSA-N	400.297	5.381	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccncc2)cc(Br)c1OCc1ccccc1	916136720	XYAVTCMDNXUUNT-FPLPWBNLSA-N	424.294	5.328	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1cccc(Cl)c1)[n+]1ccc(C(CC)CC)cc1	916202679	PEIMQHOODCCTAZ-UHFFFAOYSA-O	401.983	5.518	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(C(C)(C)C)cc1	916904033	ZMTVFYSWIRKRTK-VEGGFIAOSA-N	424.928	5.315	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1	916973075	TZKSZPQGOBTAPA-RDTXWAMCSA-N	412.967	6.129	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3ccc4nc(Cl)ccc4c3)c2)c1	917138613	LJYZYHQDSMYZES-UHFFFAOYSA-N	413.864	5.591	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1	918659154	MVKPSVDLTULPEZ-UHFFFAOYSA-N	400.265	5.219	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c(C)n1[C@H](C)c1ccccc1	919864609	QEBIZUUECIMJMT-GOSISDBHSA-N	401.510	5.625	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4cccc(F)c4c3C)n2)cc1	920139187	ONHHGZJKUICXGR-HNNXBMFYSA-N	422.506	5.971	30	20	HKED	
N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2cccc3nc(O)[nH]c23)cc1	1570410098	QXTYBJOXDKGMCJ-UHFFFAOYSA-N	420.881	5.197	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1	1791588887	HAPAACXEYWVYAG-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1829071306	SJXVKAYXMWMZPZ-NVQXNPDNSA-N	414.634	5.345	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1	16019020	ZZLMQJAEXPKQPN-UHFFFAOYSA-N	412.486	6.276	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1	18238993	JSPKVXIWBQJLDA-UHFFFAOYSA-N	413.433	5.304	30	20	HKED	
CC(C)c1ccc([C@@H](NC[C@H](O)COc2ccc(CC#N)cc2)c2cccs2)cc1	23678337	YMERYWRJBWGRAO-WIOPSUGQSA-N	420.578	5.056	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2ccccc2s1	41502942	YCIRLDHQGPZHRK-OAHLLOKOSA-N	403.488	5.100	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c2cnn(C(C)C)c2n1	41554810	XQFVZFXXNCDTNA-HNNXBMFYSA-N	415.419	5.039	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	46675337	UIDWFUDQYVFOTL-HSZRJFAPSA-N	406.574	5.007	30	20	HKED	
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C	72025236	NUNFBDYETOKAJH-UHFFFAOYSA-N	417.465	5.033	30	20	HKED	
Cc1ccc(/N=N\C(=N\Nc2ccc(C)cc2)C(=O)Nc2ccc(Cl)cc2)cc1	100142870	XPIIOPUBQIRMJD-NRXUYXSHSA-N	405.889	6.105	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1	105888449	OJURFVNQXIZIFT-UHFFFAOYSA-N	403.551	5.280	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1	303299328	OGELAVHOSVLUDL-COXVUDFISA-N	415.356	5.443	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c1	303593933	SVZZBOCQPABSKH-UHFFFAOYSA-N	400.453	5.081	30	20	HKED	
COc1cccc(-c2nnc(S[C@H](C)c3ccc(C#N)cc3)n2Cc2ccco2)c1	303707301	PFDDOHPJFIZODY-MRXNPFEDSA-N	416.506	5.320	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCCC23CCOCC3)c1	409814383	HQZJLAMWQLKQRX-OAQYLSRUSA-N	410.901	5.083	30	20	HKED	
CC[C@@H](C)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	429722500	IPVFHZNFGWUBPJ-FOIQADDNSA-N	401.491	5.349	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)s1	430596869	XVYBSFXJCVUJIH-CQSZACIVSA-N	424.547	5.430	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F	432863702	FCBAOWINVZWNAB-APPDUMDISA-N	411.424	5.487	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cc1Cl	439301483	HCCMCOIOLLTXBT-WOIUINJBSA-N	423.944	5.276	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1Cl	439560899	KLWPWNZACHOBJJ-UHFFFAOYSA-N	421.875	5.344	30	20	HKED	
N#C[C@@H](C(=O)c1cnn2c1CCCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	441698629	YVPXWGJKAUUBEQ-ZDUSSCGKSA-N	417.321	5.140	30	20	HKED	
N#CCCn1cc(/C=C/c2nc([C@@H]3CSc4ccccc4O3)no2)c2ccccc21	446014610	YOACRUDEGSCIEH-CFGKVWFZSA-N	414.490	5.334	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)CNc2ccccc2SCCC#N)cc1	446622454	DPIPWQMXTUUCSP-JOCHJYFZSA-N	423.582	5.257	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]nc3-c3ccoc3)cc2Cl)c1	447485154	VECACDNCFYEXTI-UHFFFAOYSA-N	418.840	5.026	30	20	HKED	
CC[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1	447529012	KOLAGPPRRHAXHT-IBGZPJMESA-N	401.457	5.941	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	462554625	TZLNEVZVLFOJJH-BZNIZROVSA-N	400.322	5.209	30	20	HKED	
CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	464405369	KOIJLOYJKFIGBD-OAHLLOKOSA-N	423.416	5.247	30	20	HKED	
N#C[C@@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1cc(C(F)(F)F)ccn1	464475508	VMBVQCIMSNFHTN-LLVKDONJSA-N	415.223	6.112	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(c3ccc(F)cc3)C3CCCC3)cc2)nc1	465471926	ANOHFZNHUGTOMZ-UHFFFAOYSA-N	401.441	5.474	30	20	HKED	
CC(C)(C)[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2ccccc2o1	469228875	NZBPPQFEXRZSEI-VWLOTQADSA-N	415.537	6.215	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCc1cccc(C(F)(F)F)c1	471828401	VHRRMWGFESQAPH-HNNXBMFYSA-N	406.473	5.919	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1	475551897	ZHXSGWHZKLWRMR-UNMCSNQZSA-N	400.469	5.468	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1	475573871	UBDDFJVVGWNZEZ-SFHVURJKSA-N	403.530	5.344	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1	476601935	LJNADRFFSJIJHT-KSSFIOAISA-N	414.349	5.513	30	20	HKED	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccccc1Sc1ccccc1C#N	476779199	NDIOUKQWYIRPJM-MRXNPFEDSA-N	418.493	5.240	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3ccc(Br)o3)no2)c2ccccc21	477186048	JTTHXIOKQSALTL-RMKNXTFCSA-N	409.243	5.131	30	20	HKED	
C[C@@H](NC(=O)C1(C#N)CCCCC1)c1nc(-c2ccc(Br)cc2)cs1	478515693	HNAUBFJZIWETNI-CYBMUJFWSA-N	418.360	5.224	30	20	HKED	
C=CCn1c(SCc2nnc(C)n2CCC)nnc1-c1ccc(C(C)(C)C)cc1	478897359	FPDWHJGJNHGYPZ-UHFFFAOYSA-N	410.591	5.031	30	20	HKED	
C=C(C)Cn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1-c1ccncc1	481374777	OKSZKQAHZLQTDL-UHFFFAOYSA-N	403.511	5.172	30	20	HKED	
C[C@H](NCc1ccc(Cl)cc1-n1cncn1)c1ccc(-c2cccc(C#N)c2)cc1	482826915	YFEYPFPGMOZZNH-KRWDZBQOSA-N	413.912	5.310	30	20	HKED	
C[C@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)c(Br)c1	487311027	BGHICTWUZFFMLH-QRWLVFNGSA-N	417.322	5.633	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)c1ccccc1	488633989	VGIWXFNSVDXQCC-HXUWFJFHSA-N	404.897	5.891	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccs1	489444497	YTAHNJPJFLBOOE-MRXNPFEDSA-N	412.584	5.237	30	20	HKED	
C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	498094170	IOLJTUSTECUKRK-CJNGLKHVSA-N	400.466	5.245	30	20	HKED	
CCCn1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C1CC1	498302898	GJTOUQCLSYJBLL-UHFFFAOYSA-N	404.445	5.226	30	20	HKED	
Cc1nc(SCC(=O)N(CCC#N)c2cccc(C)c2C)c2c(C)c(C)sc2n1	501529855	IEOYRFSDAZTVKD-UHFFFAOYSA-N	424.595	5.272	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)cc1	503175976	XPFNTIYMYRPYLM-FCHUYYIVSA-N	408.423	5.406	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CCC2	504655613	SCZPWWPAANSVNW-PFONDFGASA-N	419.887	5.500	30	20	HKED	
CCn1c(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc2c(F)cccc21	505875497	WZFLUBCEIRHURE-QGZVFWFLSA-N	419.344	5.607	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21	506383251	ALBUJZAXJYOWJS-UZLBHIALSA-N	423.586	5.592	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	506988789	SDZBTJKHSXYPNE-UHFFFAOYSA-N	411.792	5.070	30	20	HKED	
COc1ccc(CN2CC=C(c3c[nH]c4cc(C)ccc34)CC2)cc1OCCCC#N	509589032	SJCQMCIAZVPCRV-UHFFFAOYSA-N	415.537	5.457	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)NCc1ccccc1Cl	510204787	BAHDQLJCJRWYSW-HNNXBMFYSA-N	407.926	5.071	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Br)cc1Cl	511608900	FYCUYYDVROAOLC-UHFFFAOYSA-N	409.711	5.331	30	20	HKED	
Cc1onc(-c2cccnc2)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	513629356	RWOVQKLZRLBYBV-MRXNPFEDSA-N	420.881	5.312	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cccc3cccnc23)cc1	513722652	NZBZNUWESBJMLZ-UHFFFAOYSA-N	409.445	5.089	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	517386179	HUZBQRIWACMTIG-QGZVFWFLSA-N	413.433	5.589	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1S[C@H](C)CC#N	517517986	NNARSOXLQFYDHH-OLZOCXBDSA-N	409.338	5.794	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	518754428	LHOLEKAITJZMGZ-MRXNPFEDSA-N	414.465	5.192	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2ccc3c(C)cc(O)nc3c2)C(C)(C)C)cc1	519468196	BKOUYVVORHRFMS-UHFFFAOYSA-N	404.510	5.255	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1	522483468	OAGRHMODWOEMPE-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OC(F)F)cc1	524388639	QDUJWAXHQQWZNS-UHFFFAOYSA-N	408.404	5.299	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(C)C)cc2C)cc1C	532058460	BPBHBMRPNNOFHJ-UHFFFAOYSA-N	416.525	5.429	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2o1	532262148	XXJSIDZMTLARGU-GFCCVEGCSA-N	417.943	5.464	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)C1CCCC1	533062439	IWPNXUBDIREAMP-MHECFPHRSA-N	407.583	5.540	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1	533590972	PYQFLKZMYKUPMF-KRWDZBQOSA-N	411.933	5.464	30	20	HKED	
C=C(C)[C@@H](CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)OCC	535911993	WWEOZGNBPYWHJG-CXAGYDPISA-N	423.376	5.121	30	20	HKED	
Cc1ccc(-c2ncco2)cc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	536196638	HIUMRETXIVIECL-OAHLLOKOSA-N	420.538	5.291	30	20	HKED	
C[C@H](CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nccs1	541420230	UKAVZPQQBQKSHU-CQSZACIVSA-N	411.914	5.336	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1	542020677	KZJPLGYAEXHNRZ-CQSZACIVSA-N	410.355	5.035	30	20	HKED	
COc1ccc(/C=C\c2nc(C(=O)O)c(-c3ccccc3)s2)cc1OCCCC#N	544641548	LIGDTTHQNPYIMZ-BENRWUELSA-N	420.490	5.370	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c4ncccc34)n2)cc1	549079888	JTPMNQOKVIPHMG-KRWDZBQOSA-N	414.877	5.373	30	20	HKED	
Fc1ccc([C@@H](NCc2cc(F)c(C(F)(F)F)cc2F)c2cccnc2)c(F)c1	554090842	ZVFKFNMAVCJFBR-IBGZPJMESA-N	414.324	5.536	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(C3CCOCC3)CC2)c1	554554149	XMUAFNLBWZESTN-UHFFFAOYSA-N	424.928	5.283	30	20	HKED	
CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1C[C@@H]2CC[C@H](C1)N2C	558288020	KNDPWGNKTIKMDE-XQXKNUKBSA-N	422.960	5.084	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)cc1	558331179	YVXCRMJPHIXDBX-HYBUGGRVSA-N	417.553	5.506	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)ccc1OC(F)F	561017416	QTSWQZPUDHREOL-MRXNPFEDSA-N	408.448	5.686	30	20	HKED	
Cc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccc(Cl)cc1	569058453	QPZQYKAOCXBCTH-UHFFFAOYSA-N	417.900	5.345	30	20	HKED	
C[C@H](N[C@H](C)c1ncc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1	569757517	QXQAHKBLCNQERF-LSDHHAIUSA-N	407.315	5.190	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc(C(F)(F)F)cc1	576553542	VZUCTPPOVNSGTC-GJZGRUSLSA-N	421.488	5.389	30	20	HKED	
N#Cc1ccc(CNc2cccc(-c3nnc4n3CCCCC4)c2)c(C(F)(F)F)c1	576866221	NAFYABXDLXDMDR-UHFFFAOYSA-N	411.431	5.174	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2Cc2ccccc2)cc1	579783164	XDIMHSCXGASVGP-OAQYLSRUSA-N	411.534	5.268	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccc3F)n2)nc2sccc2c1=O	590450091	BKLHFIYRVQUUEM-UHFFFAOYSA-N	415.540	5.199	30	20	HKED	
Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2)cs1	592974580	UOGRXFOGBBNYBR-QGZVFWFLSA-N	423.494	5.269	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCc2cccnc2)cc1Cl	603758959	QKUPMTDQHMTECJ-FQEVSTJZSA-N	407.926	5.262	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3COc3ccccc3)cn2)cc1	603764214	IGKMSFWEBFOVEB-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
N#Cc1cccc(COc2cccc(NCC(=O)Nc3cccc4ccccc34)c2)c1	604006988	IBFAKKMYSNXBOA-UHFFFAOYSA-N	407.473	5.341	30	20	HKED	
C=CCCCN(C)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1	605645436	XBLCOFXNZPCMLZ-UHFFFAOYSA-N	420.460	5.053	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	609062014	RFRNTZCQHLJWGW-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609176543	MRLWESQJHIEEAO-UHFFFAOYSA-N	416.525	5.391	30	20	HKED	
Cc1nc(SCC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(C#N)c(C)c1C	609381592	RGHGOVVHBRAZAU-QFIPXVFZSA-N	418.566	5.206	30	20	HKED	
N#C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1cccc(C(F)(F)F)c1	609460399	JBQXGSVVHUDFSP-HNNXBMFYSA-N	421.831	5.477	30	20	HKED	
CC(C)n1cc2cc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)ccc2n1	609880526	KQFUTILJOLKLAY-UHFFFAOYSA-N	410.477	5.320	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F	610146627	KHTYKVNJORYWIZ-VWLOTQADSA-N	415.512	5.601	30	20	HKED	
N#CCC1CCN(C(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CC1	611675312	JFKDQNSWFIJMJD-UHFFFAOYSA-N	407.564	5.233	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)nnc1-c1cccc(C)c1	617940090	CMHCYBYLRXZESQ-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	619773785	BFYKRHDOTHGKOD-BXKMTCNYSA-N	418.566	5.279	30	20	HKED	
CSc1ccc([C@H](C)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	675737119	AAZLYSJYQIQBHT-MVWJERBFSA-N	403.407	6.108	30	20	HKED	
CCC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	679978670	HZDNKUYJXHBTEI-CQSZACIVSA-N	402.397	5.398	30	20	HKED	
CC(=NNc1nnc(-c2ccccc2)n1C)c1sc(-c2ccc(C)cc2)nc1C	727651246	OTNPOPPINLOEOR-UHFFFAOYSA-N	402.527	5.059	30	20	HKED	
C[C@H](CC#N)N(C)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S	728905062	WXMQSLSJMWHJRJ-OAHLLOKOSA-N	411.556	5.401	30	20	HKED	
C=CCc1cc(CNCc2csc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC	729683470	QQAUPZPERYSQAY-UHFFFAOYSA-N	414.958	5.499	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1sc2cc(Br)ccc2c1Cl	729843116	XQXBYALFMHVYLA-UHFFFAOYSA-N	423.719	5.466	30	20	HKED	
CC[C@H](Oc1ccccc1C(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	730071289	JGGBQZGRDWIVRD-WMZOPIPTSA-N	412.942	6.107	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc(C)cc(C)c2)cs1)c1ccc(F)cc1F	730436403	KIFUXLYVAOVSQV-ALCCZGGFSA-N	412.461	5.619	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1	731639785	WBKUVWMJJPLNJL-UHFFFAOYSA-N	423.441	5.105	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCc1ccc(OCC#N)cc1	733416452	FFBOQOHQOUEJNY-UHFFFAOYSA-N	422.484	5.399	30	20	HKED	
C#CCN(C(=O)Nc1cc(C)ccc1C)[C@H]1CCOc2ccc(Br)cc21	733615585	TUMNRNSLGUVVGC-IBGZPJMESA-N	413.315	5.057	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)c1	733844955	HVYCGBVGOZHTCC-FQEVSTJZSA-N	416.481	5.185	30	20	HKED	
O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cc(F)c(F)c(F)c1F	733946579	ATCSDUPKNUDTSF-LLVKDONJSA-N	400.677	5.227	30	20	HKED	
O=C(/C=C\c1nccn1Cc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	734095528	PKCJTOPBEVLGMG-RAXLEYEMSA-N	415.474	5.464	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)c(SC)cc1OC	741164891	CNFIYMZXFZTNPD-RMKNXTFCSA-N	412.429	5.263	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1c(F)cccc1N1CCOCC1	741447999	SGXOBKAZRBDTNA-KAMYIIQDSA-N	417.480	5.137	30	20	HKED	
Cc1cc(/C=C/C(=O)c2c(Cl)nc3sccn23)cc(C)c1OCc1ccccn1	741844752	QUULORUGASCKEB-VOTSOKGWSA-N	423.925	5.536	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)n1	747194140	UVJNMWRKGJGDHH-IERDGZPVSA-N	410.539	6.115	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	752376356	OPXMJXSDNXFOCV-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2coc(C(C)C)n2)cs1)c1ccc(F)cc1F	752890145	QPUBRSHWJOKZQQ-FNORWQNLSA-N	417.437	5.113	30	20	HKED	
Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3OCC#N)c3ccccc3n2)cc1	760797756	VVZOGCYQUJNKHZ-UHFFFAOYSA-N	411.436	5.504	30	20	HKED	
C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761193370	UMDFXVGEFCOJQH-MRVPVSSYSA-N	424.190	5.111	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(OCC(F)(F)F)c1)c1nc2cc(Cl)ccc2s1	763274767	VXNBADYZEDRLKA-AWEZNQCLSA-N	424.831	5.310	30	20	HKED	
CC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	764755174	DEHPMXPMYYZLTH-HUUCEWRRSA-N	406.404	5.824	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)ccc1OC	774450943	WJXVYAMLUJKGRS-VGOFRKELSA-N	419.352	5.924	30	20	HKED	
C[C@H](NCc1cc(Cl)ccc1OCC#N)c1cccc(OCc2ccccn2)c1	775038090	AIBPFCLARPJLBK-KRWDZBQOSA-N	407.901	5.067	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)c1	775410845	UDUUDNJFFIKJGA-GBXCKJPGSA-N	421.585	5.213	30	20	HKED	
C=CCC[C@@H](C(=O)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccccc1	778559055	JORRFLFZZXRWEE-MRXNPFEDSA-N	416.399	5.147	30	20	HKED	
N#CCOc1cccc(NCc2csc(-c3cccc(Br)c3)n2)c1	779589176	YIOSGIXUXKGKPC-UHFFFAOYSA-N	400.301	5.087	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F	780667654	KPADUHLQEUCIJE-JTSKRJEESA-N	403.457	5.222	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	780980978	CJWILEGPQNBEOJ-XMSQKQJNSA-N	409.530	5.087	30	20	HKED	
COc1ccccc1-c1ncc(/C=C\C(=O)c2csc(-c3ccccc3F)n2)cn1	792907745	XECHKQHTFMKMGG-KHPPLWFESA-N	417.465	5.311	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(C(C)(C)C#N)cc1	796037000	RDWYELVODAPWRD-UHFFFAOYSA-N	406.526	5.530	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	802043407	ZTPFKLFESPBMJO-WZONZLPQSA-N	418.537	5.319	30	20	HKED	
N#Cc1ccc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1	811463225	OAKJNUSEJFJYJK-HXUWFJFHSA-N	408.851	5.176	30	20	HKED	
N#C[C@@H](C(=O)CCc1cncs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	815911684	KHCZRVUWXSJMAT-ZDUSSCGKSA-N	408.335	5.382	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(F)(F)F)cc2)cc1	915354167	WLOFTXCCSXHCKP-NRFANRHFSA-N	409.411	5.683	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(C3CC3)C2=O)c1	916207274	DSLBASSDCJLDOR-OAQYLSRUSA-N	421.566	5.043	30	20	HKED	
Cc1sc2ncn(N=Cc3c(Cl)cccc3Cl)c(=O)c2c1-c1ccccc1	916283496	DKYVMSVIYJRXIX-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
C[C@@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)csc2C1	916943268	UQXOQHHAIOQSKJ-BMIGLBTASA-N	407.322	5.141	30	20	HKED	
O=C(Nc1ccc(SC(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	919652788	IFVHZZVQPPUUJA-IUCAKERBSA-N	422.341	5.596	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nc(-c2cccs2)oc1C	919893567	HTLHXCHOOWMCER-UHFFFAOYSA-N	415.474	5.936	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)cc1	1789449131	NYWATJKETULVCH-FQEVSTJZSA-N	423.944	5.251	30	20	HKED	
CC(C)(C)CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C#N)CC1	1823889906	FRYVAJDWANBYSI-OAQYLSRUSA-N	417.638	5.152	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(C)c(C)c2)nnc1-c1ccc(OC)cc1	5854826	BXHLPVASACMDJU-QGZVFWFLSA-N	407.539	5.120	30	20	HKED	
COc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1ccc(C#N)cc1	6127307	DTYFATJYIYNGOY-UHFFFAOYSA-N	408.457	5.551	30	20	HKED	
N#CCSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F	6343724	KSZKMLHTYLNAMY-GDNBJRDFSA-N	406.269	5.133	30	20	HKED	
CCOc1cc(C#N)ccc1OCC(=O)Nc1ccccc1Sc1ccccc1	6541235	JEDLTIOYDKTDNM-UHFFFAOYSA-N	404.491	5.126	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(C(F)(F)F)cn1	41556338	NPLLDSFGMDVZOG-CQSZACIVSA-N	400.381	5.211	30	20	HKED	
Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2c1C(=O)CCC2	46347270	QVQHVERHIBRHEZ-UHFFFAOYSA-N	414.461	5.004	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)c2)c1	55772201	QMGMTIYNLBAXDI-OALUTQOASA-N	415.415	5.118	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1	58531711	IIBMIWQEIJQZHQ-UHFFFAOYSA-N	423.944	5.537	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	63961741	OSNFJMWMUJXHGE-UHFFFAOYSA-N	401.413	5.190	30	20	HKED	
COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c2cccnc12	72029609	IFVRPCGFKDLNNJ-UHFFFAOYSA-N	411.486	5.519	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-n3ccnc3)cc2)cc1	97090935	DSDPGRDOLURJNB-UHFFFAOYSA-N	410.502	5.289	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1Sc1ccccc1C#N	115048190	BVAHEFXIDFQCQY-UHFFFAOYSA-N	408.910	5.932	30	20	HKED	
Cc1sc(NC(=O)c2cc(Br)ccc2Br)c(C#N)c1C	160223013	WCOJJBRFBOROQT-UHFFFAOYSA-N	414.122	5.014	30	20	HKED	
C=CCn1c(SCc2cnc(C)s2)nc2sc(-c3ccccc3)cc2c1=O	195651516	LHFZOYDRWLWHEL-UHFFFAOYSA-N	411.577	5.368	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)nc2ccccc21	195727820	IWYLKGAJVHRAKI-CVDCTZTESA-N	415.880	5.223	30	20	HKED	
N#Cc1csc(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1	237699826	DCDCWEYDRNXSDR-UHFFFAOYSA-N	417.849	5.403	30	20	HKED	
Cc1ccc(-n2c(Sc3snc(Cl)c3C#N)nnc2-c2ccccn2)c(C)c1	301937377	VTSLNGLOOROOGL-UHFFFAOYSA-N	424.942	5.079	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C2CC2)cc1	303642057	RESQZHMXOXLHGC-VWLOTQADSA-N	412.489	5.027	30	20	HKED	
Cc1csc([C@@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C2CC2)n1	304084963	WIWHSWXOLBFVOX-FQEVSTJZSA-N	423.925	5.650	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc3nc(-c4ccccc4)oc3c2)s1	430614409	ZAOGMZBBMUBRCN-INIZCTEOSA-N	401.491	5.739	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@H](c2cccc(C(F)(F)F)c2)O1	433288679	ZXDYPDDCMGJPKT-KZULUSFZSA-N	423.822	5.224	30	20	HKED	
Cc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1OCCC(C)C	433334912	JDJCRLMZFUCZKA-UHFFFAOYSA-N	403.530	5.204	30	20	HKED	
CC(=O)Nc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1F	433852694	NZHLCXORDGESRQ-UHFFFAOYSA-N	421.859	5.156	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2nc(-c3ccccc3F)no2)cc1F	435895007	WSKDVQKAOXRTMG-UHFFFAOYSA-N	404.376	5.291	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)N[C@H](CCC#N)c3ccccc3)cc2)cs1	438837003	HTJIXYZTMOFIHS-OAQYLSRUSA-N	404.539	5.005	30	20	HKED	
C[C@H](N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N)C(C)(C)C	441393043	KOUHNDAJSHMGOY-SFHVURJKSA-N	423.582	5.094	30	20	HKED	
N#C[C@H](C(=O)c1cnn2c1CCCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	441698628	YVPXWGJKAUUBEQ-CYBMUJFWSA-N	417.321	5.140	30	20	HKED	
Fc1ccccc1COc1ccc(CN(CCC(F)(F)F)CC(F)(F)F)cn1	447825241	CAHQYWFIINVPCE-UHFFFAOYSA-N	410.333	5.116	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)c1cccc(Br)c1	462059783	OFEJQWBVJRLLQI-UONOGXRCSA-N	403.345	5.586	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	463277099	RSVWYJOVGFOAFY-QGZVFWFLSA-N	415.468	5.157	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)[C@H](C)c1cccc(C#N)c1	464564696	FPRDHYYKLGUCHG-OAHLLOKOSA-N	404.491	5.124	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1	466135875	RNTXFSGJZAGHLQ-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)cc1	470582674	KXFVFJCRKRHWFK-NQIIRXRSSA-N	400.478	5.057	30	20	HKED	
C=CCN(C(=O)c1ccc(C(=O)CC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	471079335	AITZLAZKAJXWBC-UHFFFAOYSA-N	421.478	5.144	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC)c1nc(-c2ccccc2)cs1	472803831	ASQUTPHTGFJGRW-UYAOXDASSA-N	420.534	5.150	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F	474282549	DDDSPKUKHVIAHI-UHFFFAOYSA-N	420.456	5.059	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1	474660253	LWSBDRFKIVZMRT-OAQYLSRUSA-N	403.461	5.155	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	474737299	NEGRCTZLYKFMIQ-IAGOWNOFSA-N	419.912	5.663	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	475306818	VATKWQPZPUDZPX-UHFFFAOYSA-N	408.816	5.598	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCCc1cn(-c2ccccc2)nc1C	475550045	NAOKEJDCOKXUSM-UHFFFAOYSA-N	416.569	5.787	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1C#N	478653431	YHICISRNYDMDCP-UHFFFAOYSA-N	416.550	5.054	30	20	HKED	
CCCn1c(C)nnc1CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N	479122929	XZSNZCAKVNGIFN-UHFFFAOYSA-N	421.448	5.143	30	20	HKED	
C=C(C)Cn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1ccncc1	481341695	DKEWMVBGEKCUKM-UHFFFAOYSA-N	423.929	5.517	30	20	HKED	
C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481692407	XYMHWLDXSDJTQZ-INIZCTEOSA-N	407.445	5.012	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnc2ccccc12	484558418	CQXMVMFZAWXNNW-CQSZACIVSA-N	405.429	5.435	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	485727406	AHOIFLMXJOAXNP-UHFFFAOYSA-N	413.502	5.341	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(F)c(C(C)=O)c1	486795271	KJMLEKFVTAWMHU-UHFFFAOYSA-N	423.257	5.150	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccccc1	487350716	FBUHWDVDFICKCR-QGZVFWFLSA-N	410.367	5.054	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1	487518364	WUJFLDTWRYLJFT-XMMPIXPASA-N	424.504	5.078	30	20	HKED	
C=CCC[C@H](C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccccc1	489707721	YHBYIQSGJLHPBU-DCEDVJGZSA-N	407.554	5.178	30	20	HKED	
CCN(CCC#N)C(=O)c1ccccc1SCc1ccc(Br)cc1	492169324	PZNNYPNBXXLVIH-UHFFFAOYSA-N	403.345	5.117	30	20	HKED	
CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	497388094	QKWWNLMYBYDUFS-KNQAVFIVSA-N	408.567	5.174	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1c(Cl)cccc1Cl	499818656	ZIFJUSZUYXXCTR-XEZPLFJOSA-N	413.226	5.497	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C	500106725	DXEHALZWNQFJPP-HXUWFJFHSA-N	424.463	5.276	30	20	HKED	
CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N1CCC(C#N)CC1	506940524	UBUWHPYEAJDQMW-UHFFFAOYSA-N	417.918	5.013	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1	510368893	HJOKOLYNFBTASD-UHFFFAOYSA-N	418.324	5.129	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	511372867	UIZDQUKETPWLHE-APWZRJJASA-N	404.963	5.267	30	20	HKED	
CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	513876776	RFJGGMMTIDTWJY-DEOSSOPVSA-N	413.477	5.128	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c1	515447720	BMJJNAQNWDBADM-UHFFFAOYSA-N	423.394	5.011	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	517680846	JIGBTYCVOZJWFX-GFCCVEGCSA-N	419.337	5.217	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	517800742	FZNXCCJVVUDXLW-FQEVSTJZSA-N	406.507	5.488	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1	518373367	UAVSFZBFNVZEBO-UHFFFAOYSA-N	412.474	5.316	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1	519913174	KVYDKXBDHJJETB-SFHVURJKSA-N	419.550	5.459	30	20	HKED	
C[C@@H](N[C@@H](Cc1ccccc1Cl)c1ccccc1)C(=O)Nc1ccccc1C#N	521727915	ZOVBLXWGQQEYKL-HXOBKFHXSA-N	403.913	5.112	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Cl)c1Cl	521733234	BMICWTBKXKVHBT-UHFFFAOYSA-N	419.255	6.270	30	20	HKED	
CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1S[C@@H](C)CC#N	521810931	KQXMXTHPFHXECV-HNNXBMFYSA-N	419.953	6.317	30	20	HKED	
N#C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1cccc(C(F)(F)F)c1	521886340	SVCMXRVSHQDTFW-IBGZPJMESA-N	408.379	5.528	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c1C	523536844	QQLRNYIBUFZJBQ-UXHICEINSA-N	424.426	5.122	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1c(F)cc(C#N)cc1F	531266140	ZPWREAUDNWVLSV-JTQLQIEISA-N	417.868	5.413	30	20	HKED	
N#CCc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)c1	531670051	FRESZMDMFLJXQH-FBMGVBCBSA-N	420.472	5.418	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3ccsc3C2)cc1	536330882	VBYZJKHWUNORMU-UHFFFAOYSA-N	405.479	5.011	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)CCC1CCN(c2ccncc2)CC1)c1ccccc1	538899171	WSJDYUKZOWORCE-XMMPIXPASA-N	406.574	5.037	30	20	HKED	
CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	539576504	DOZNVCYHUZSMBD-PMACEKPBSA-N	401.432	5.055	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)cc2)CC1	540721040	YJFOHJLQCLZWAD-UHFFFAOYSA-N	423.394	5.700	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)Sc1cccc(Cl)c1C#N	543031643	NCJUMZJSEADZPU-HNNXBMFYSA-N	410.930	5.134	30	20	HKED	
C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)NCCCC#N	543378500	GTAMAPBZGOOGRQ-CRAIPNDOSA-N	406.917	5.343	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	544066202	LUKCZPKUYIQIHS-UHFFFAOYSA-N	418.472	5.752	30	20	HKED	
C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ncc(-c2ccccc2)o1	544467056	QOSTXXVXCALIGR-SJORKVTESA-N	420.538	5.025	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(C(F)F)c3Cl)cc2)cc1	544475554	IVYNDEWIHCOZAC-UHFFFAOYSA-N	412.823	6.388	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C)n(CCC#N)n2)c(Sc2ccc(Cl)cc2)c1	545344104	QUAGIHXIRFGZBZ-UHFFFAOYSA-N	410.930	5.471	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Cl)c(F)cc2Cl)cc1	549998934	YKKOSAHXWYNJCD-UHFFFAOYSA-N	407.272	5.199	30	20	HKED	
Cc1c(C(=O)NCC2(c3ccccc3Cl)CCOCC2)sc2ccc(C#N)cc12	550781146	DJWWMTJGJXWFQH-UHFFFAOYSA-N	424.953	5.213	30	20	HKED	
C[C@@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1Cl	551569961	BEHLBUYDVGSZAK-SZNDQCEHSA-N	422.878	6.049	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc2nc(C(F)F)[nH]c2c1	552646110	GPNFLVWDQIZOPR-UHFFFAOYSA-N	402.404	5.219	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C	564383938	DPFRAQJJDSJZBE-JFTIXFDTSA-N	414.553	5.092	30	20	HKED	
CN(C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	565356401	JGVACSPYHRTCFG-RBZYPMLTSA-N	418.328	5.331	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571608399	GFMVBRATSGUIIE-KRWDZBQOSA-N	414.509	5.309	30	20	HKED	
O=C(Nc1cccnc1C(F)(F)F)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F	573998892	MFCGFBFWEJAYEC-LLVKDONJSA-N	415.696	5.318	30	20	HKED	
N#Cc1c(F)cccc1SCC(=O)Nc1cccc(CSc2ccccn2)c1	579069910	INCUCKQLXUCXTQ-UHFFFAOYSA-N	409.511	5.115	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1	579163811	BHVADVIBBYLESG-YADHBBJMSA-N	405.498	5.080	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3cc(-c4ccc(Cl)cc4)no3)cc2)ccn1	579774382	FFTZRGHVBDOKNX-UHFFFAOYSA-N	402.841	5.666	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1)c1ccccc1	580360139	KBJCOPFIJFUDEH-QZTJIDSGSA-N	420.479	5.035	30	20	HKED	
Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589470137	DSFZAFUVZWZZHG-UHFFFAOYSA-N	408.461	5.092	30	20	HKED	
C=CCN(C(=O)c1ccc(C(=O)N(CC)CC)cc1)c1nc(-c2ccccc2)cs1	591003397	HJLICJDNMNOKDB-UHFFFAOYSA-N	419.550	5.125	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	603446704	QBCVFFKBVOIXJS-UHFFFAOYSA-N	418.518	5.759	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1	609018915	SGPGYRZFHBIWFL-UHFFFAOYSA-N	400.825	5.181	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1	609206761	CNUPQGKUSYFREA-UHFFFAOYSA-N	406.511	5.426	30	20	HKED	
CCCCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc(C)c1C	609370611	HUGBEERVIBIZHN-HNNXBMFYSA-N	416.616	5.425	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1c[nH]c2cc(Cl)ccc12	609439027	SQLXMZZXYCZENI-CQSZACIVSA-N	412.946	5.580	30	20	HKED	
COc1ccc([C@@H](NC(=O)CCCCOc2cccc(C#N)c2)c2ccccc2)cc1	609497555	IFODKXMWBALSER-SANMLTNESA-N	414.505	5.022	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	610095283	OPGTZMYLZUVAGC-HSZRJFAPSA-N	400.482	5.751	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1ccco1)c1nc2cc(Cl)ccc2s1	613406948	BPGCSKVXDXPSFQ-MRXNPFEDSA-N	424.934	6.325	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCc1ccc(C#N)c(Cl)c1)C1CC1	619827330	BSLHYWLSZFSOFX-CYBMUJFWSA-N	421.850	5.666	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Br)cs1)c1nc2cc(F)ccc2s1	730695603	LUTPTIIZHLFPOF-GFCCVEGCSA-N	409.305	5.068	30	20	HKED	
N#C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1Cl	731195995	STAQYZLQZDXHKG-CYBMUJFWSA-N	404.080	5.060	30	20	HKED	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	731280526	NCMKQCOPMAXSDV-FQRUVTKNSA-N	409.533	6.175	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1	731991358	OOUMDRCFSIDAGD-UHFFFAOYSA-N	418.496	6.104	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2Cl)ccc1OC	733334456	WYQOQMQTWPYBPR-AWEZNQCLSA-N	408.285	5.005	30	20	HKED	
C[C@H](OC(=O)c1ccccc1OCC#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	733710274	QKGQGIDJDDEEKX-NSHDSACASA-N	417.305	5.545	30	20	HKED	
Cc1ccccc1COc1c(C)cc(C=Nn2c(C)nc3ccccc3c2=O)cc1C	734743709	GALMCADDJTVYBF-UHFFFAOYSA-N	411.505	5.091	30	20	HKED	
Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1	734997973	HVBISHSCXGNIHB-UHFFFAOYSA-N	412.493	5.215	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccnn3C3CCCCC3)c2)s1	740444522	PQCDCJXYPUHALU-UHFFFAOYSA-N	405.527	5.310	30	20	HKED	
CC/C(=C/C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1cccc(Cl)c1	744510634	MMTFZEWNJZSXGW-MBGNVJMVSA-N	412.917	5.139	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(C#N)cc1	748995492	SAQMYDMUNKOAMY-INIZCTEOSA-N	402.523	5.065	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)N[C@H](C#N)c3cccc(Br)c3)ccc2c1	749615191	KXYIJMMMQAYQAY-RACPOZDESA-N	421.294	5.005	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H]1CCCc2nc(C)ncc21)c1ccc(C(F)(F)F)cc1	749868945	CYLQXZMBTQEHOT-AZUAARDMSA-N	418.463	5.188	30	20	HKED	
O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(C(F)(F)F)cn1	750217167	LVZNRTLJHTYOLV-GFCCVEGCSA-N	417.227	5.580	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(F)c1F)c1nc2cc(C(F)(F)F)ccc2s1	750397046	JSYKWAMPMZEXLH-GFCCVEGCSA-N	410.367	5.402	30	20	HKED	
COc1ccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	750695070	XESFFNJAYPODIN-CZUORRHYSA-N	412.461	5.467	30	20	HKED	
COc1ccc(CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1C#N	754067985	MMAHHZGAEFWOMO-UHFFFAOYSA-N	404.322	5.287	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(O)c(F)c1)C(=O)c1ccccc1	755580870	GKXFPQHMOVGUEG-RCCKNPSSSA-N	417.480	5.561	30	20	HKED	
C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(-c2ccc(Cl)cc2F)s1	756683454	HTTOXPCWZXYACM-CQSZACIVSA-N	400.906	5.961	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnc(Cl)c(Br)c1C	760059048	QCYZGFVGARXHGM-UHFFFAOYSA-N	421.726	5.122	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(C)C	761814876	SRNKKDZWCFRKPT-HXUWFJFHSA-N	420.431	5.168	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764751718	DCGUNNYPZRVALZ-UHFFFAOYSA-N	413.330	5.077	30	20	HKED	
Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cnc(C2CCCC2)s1	767761502	QEQNTZLUHCAKPZ-UHFFFAOYSA-N	424.382	5.537	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	768767389	GSFCHFCXUFFPNC-UHFFFAOYSA-N	404.869	5.006	30	20	HKED	
N#Cc1cc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)ccc1F	770566801	QLSIJYJJLUROJD-SXGWCWSVSA-N	407.857	5.812	30	20	HKED	
N#CCCCCOC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1	772400665	GJOSMYYDOPVYFU-UHFFFAOYSA-N	409.667	5.140	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)c3cnc(Oc4ccccc4)cn3)cc2)cc1	773787304	SAFZOFZWBQWKLN-UHFFFAOYSA-N	409.401	5.152	30	20	HKED	
C=CC[C@H](C(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1	779379558	LMZLPMHNMDEXKZ-IBGZPJMESA-N	406.913	5.028	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cc2sc(Nc3ccccc3)nc2s1	781034694	NINDBQXYSVSNFN-CYBMUJFWSA-N	420.519	5.645	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccnc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	782193119	DVQPJPFFPKUEEX-XBXARRHUSA-N	424.840	5.127	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cccc(Cl)c2o1	783077546	TWVBURJFHKEMIN-LLVKDONJSA-N	407.640	5.354	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)C(=O)c1cc2sccc2s1)c1ccc(Cl)cc1Cl	787049187	KEVJWIGBYMZOBE-JOYOIKCWSA-N	423.346	5.469	30	20	HKED	
C#CCC1(C(=O)Nc2c(Br)cc(F)cc2Br)CCCCC1	788462441	QFYLYEMJGCVCCP-UHFFFAOYSA-N	417.116	5.263	30	20	HKED	
CC(=NO[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(Br)cc1F	795246696	RJQIFNNTXIQPDT-LBPRGKRZSA-N	404.239	5.140	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	798287347	GMDHTHYDMQFUTA-HBMCJLEFSA-N	414.436	5.069	30	20	HKED	
COc1ccc(C(=O)/C=C/C(C)=C\c2ccccc2C(F)(F)F)cc1NC(C)=O	799893160	PCIFQXAZNPOINL-TXXRRDSISA-N	403.400	5.515	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	806208501	TVZCOHWURDPFMP-JOCHJYFZSA-N	411.505	5.003	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)c1	806228672	GKQXSOQVJGRBCL-DEOSSOPVSA-N	402.494	5.019	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	810077607	KDWQCDWUHMFQQQ-UHFFFAOYSA-N	413.543	5.043	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	810957706	KQOYTWIPDCWJGL-CRAIPNDOSA-N	402.535	5.354	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)ccn1	813217879	JYUXWDBRVRFEBV-CYBMUJFWSA-N	417.214	5.443	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Cc3cnc4ccccc4n3)n2)cc1	815911246	WGQQMQHDRQLLHK-LPHOPBHVSA-N	412.518	5.117	30	20	HKED	
O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N(O)Cc1ccc(F)cc1	901375921	NUDKVMIEIGYDML-UHFFFAOYSA-N	406.335	5.063	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cccnc2Oc2ccccc2)cc1OC	915043802	YFZFSFKGWOHGBV-WYMLVPIESA-N	402.450	5.099	30	20	HKED	
N#CCOc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1	915636644	YBMHAWQTEHOEEO-SXGWCWSVSA-N	421.330	5.302	30	20	HKED	
Cc1ccc(CN(C(=S)Nc2ccccc2C#N)c2ccc3c(c2)OCCO3)s1	915999556	XLWYAYOPHFBFEU-UHFFFAOYSA-N	421.547	5.103	30	20	HKED	
Oc1ccc2ccccc2c1C=Nn1c(S)nnc1Cc1cccc2ccccc12	916278310	GHTNEMUNZIUPSQ-UHFFFAOYSA-N	410.502	5.052	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccccc1[C@H](C)CC	916906883	KSUZBMGSHVQVTK-UTKZUKDTSA-N	406.526	5.051	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(F)c(Cl)c4)cc3c2C1	916937573	GAVZXUBAYPCUPY-SJKOYZFVSA-N	423.875	5.046	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1	917043862	ORDPUEWNBHPFAV-FWEMWIAWSA-N	412.845	5.920	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCCc3ccccc3C2=O)cs1	917558208	NDKDOXAWXIFFME-LGMDPLHJSA-N	422.937	6.084	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3C(C)C)n2)cc1	920139320	RBMHISRSVUQMDQ-LJQANCHMSA-N	406.507	5.197	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1	920142579	LJUMEWNHRLQGIU-CZUORRHYSA-N	412.898	5.116	30	20	HKED	
CCC1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1	1694486765	ROUYOEPXYIPSIX-XMMPIXPASA-N	421.589	5.000	30	20	HKED	
Cc1ccc(Sc2ccc(/N=C(\O)c3n[nH]c(=O)c4ccccc34)cc2)cc1C	6653689	VBVHESBMBHWUSW-UHFFFAOYSA-N	401.491	5.327	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(O)c2)c(C)c1	10168368	HRDIWPZXYWYQMB-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1	20067081	ZFXVHSPCQSDILA-UHFFFAOYSA-N	409.580	5.318	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(CC)cc2)cc1	22729119	FQJVKSORAXWQMD-UHFFFAOYSA-O	419.570	5.295	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1	26036562	DWIYXHOVPZZKTH-UHFFFAOYSA-N	414.465	5.260	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	43078609	ZVOAEMTUDGXFFP-HSZRJFAPSA-N	408.505	5.013	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3cccc(OCCCC#N)c3)c2C(C)C)cc1	55570181	WTDYKXUJUATXIJ-UHFFFAOYSA-N	402.498	5.239	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1	56212996	OTGYJCUYDPGNJX-UHFFFAOYSA-N	409.873	5.225	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c12	59250151	QFWUGMQVIHGDBU-UHFFFAOYSA-N	407.905	5.150	30	20	HKED	
CN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(C#N)c1	61195197	XEWJIULHAKMMRL-UHFFFAOYSA-N	402.306	5.194	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC	71895541	OEVMOJJTENIINW-ZRDIBKRKSA-N	422.506	5.044	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	112570607	RINJGXWVLRIQEU-UHFFFAOYSA-N	421.136	5.953	30	20	HKED	
O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(OC(F)F)cc1OC(F)F	116778202	JAQXDTCBSCUMCJ-QPJJXVBHSA-N	424.375	5.304	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)c1	195631622	GXQBVOSAAVXQQY-UHFFFAOYSA-N	411.461	5.529	30	20	HKED	
CN(C)Cc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	303605597	AVGKSDBCJKOXJJ-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
C[C@@H](SCc1cccc(F)c1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	427867621	UZZTXSTUNXBSIM-LLVKDONJSA-N	411.483	5.662	30	20	HKED	
Cc1c(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)sc2ccc(C#N)cc12	428062047	UQLITOXQCOPUFT-UHFFFAOYSA-N	417.534	5.206	30	20	HKED	
CC(F)(F)c1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	428182700	JLTPESKFUBOCMF-UHFFFAOYSA-N	406.432	5.696	30	20	HKED	
CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1S[C@H](C)CC#N	428727789	ZEEKEKLAWLIGHK-GFCCVEGCSA-N	409.433	5.146	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1	431714077	XQECYJRMQCFZIA-HXUWFJFHSA-N	408.502	5.430	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F	431832360	KNTSKCTZOWQVLS-MGPUTAFESA-N	415.509	5.976	30	20	HKED	
COCCN(C(=O)Nc1cccc(C#N)c1C)[C@H](C)c1cccc(C(F)(F)F)c1	432285868	MNBAIYLYROVTIL-OAHLLOKOSA-N	405.420	5.127	30	20	HKED	
CC1(C)CCCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)[C@H]1C#N	434031587	NYZHONKDWFDHTQ-IBGZPJMESA-N	418.472	5.061	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CCC(C#N)(c1ccccc1)c1ccccc1	434643993	DUECGNXIXRTKEW-UHFFFAOYSA-N	403.489	5.025	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2C)c1	435001276	SQGGTSQSUQPDRN-MRXNPFEDSA-N	404.539	5.302	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c(Cl)c1	439243117	BLXRAQIPSUKIPY-UHFFFAOYSA-N	419.655	5.353	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1NC(=O)CC(C)C	442690731	KGUAVHDWRBFCFU-INIZCTEOSA-N	424.451	5.215	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CCCC1(C)C	445240408	NLDBFODILMWBCX-HXUWFJFHSA-N	413.562	5.057	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)cc2)c1	460878924	DLGUNQYPXBOICA-UHFFFAOYSA-N	411.436	5.524	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccc3)c2)o1	467106816	MMDOZDMICCSAMP-QHCPKHFHSA-N	400.478	5.195	30	20	HKED	
CCC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	471437486	TTYMJUOWHBBYPS-UHFFFAOYSA-N	418.880	5.636	30	20	HKED	
CCCC(=O)Nc1nc2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2s1	475117737	KVVHAVGFLMFPDP-INIZCTEOSA-N	406.511	5.061	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(C(F)F)c1	479597935	BITGKZMJNOOVAW-CQSZACIVSA-N	406.523	5.748	30	20	HKED	
C[C@H]1c2cccc(Br)c2CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	480468013	AVDNVFSITWONPD-AWEZNQCLSA-N	412.331	5.401	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@]2(C1)OCc1ccccc12	480561652	HDNBIDXCYAKESH-HXOBKFHXSA-N	407.539	5.134	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1OCCOCC	481654708	GBKCEHGLXLMCTK-UHFFFAOYSA-N	415.921	5.071	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	482820617	UZSCRPACNDUWAI-QGZVFWFLSA-N	416.477	5.249	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1	487173712	AQKIAPVTERZIFV-QHCPKHFHSA-N	413.452	5.655	30	20	HKED	
N#CCCC[C@H](NC(=O)CCc1cc(F)ccc1Br)c1ccccc1	487214471	ZILQLRBOXQXAQS-IBGZPJMESA-N	403.295	5.072	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1)c1ccc(F)c(F)c1	489111566	MPRMJNYCNFGSLW-OAQYLSRUSA-N	415.484	5.193	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)c3ccc(F)c(Cl)c3)o2)cc1	489800670	BOKQXSODXSPKJV-UHFFFAOYSA-N	404.850	5.069	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc(C#N)cc3OC(F)F)o2)cc1	489803840	MPAATHGLEKCCOD-UHFFFAOYSA-N	415.421	5.067	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1Nc1c(F)cccc1F	494129303	XHERADNHESIVRZ-UHFFFAOYSA-N	423.467	5.007	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)Cc1ccsc1	495232403	XQSCVUWATHTYFC-IRXDYDNUSA-N	401.601	5.034	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2CCCC2(C#N)CCOCC2)nc1-c1ccccc1	499544601	LVSUNRDXPMBILM-NRFANRHFSA-N	407.558	5.702	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c(Cl)cccc1Cl	499810057	SHXRZVMGGXONEM-MKBNYLNASA-N	413.226	5.497	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCCC[C@H]1OC(F)F	502229092	PCAXBDCGENUJJU-WOJBJXKFSA-N	415.440	5.331	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccccc4)nc3)n2)cc1	503502509	GJYMDEFYDYGTHS-HXUWFJFHSA-N	411.486	5.796	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccccc1	504908153	IYGRRLRZMDUUSP-INIZCTEOSA-N	411.811	5.448	30	20	HKED	
C[C@@H](SCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1	505540573	PLBODYZWKNYNOZ-BZNIZROVSA-N	419.337	5.045	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1	505834868	VCCGIBJTYYSBNB-OAQYLSRUSA-N	410.945	5.067	30	20	HKED	
N#C[C@@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1cccc(C(F)(F)F)c1	505928159	KDPQMPVJANEJMA-UXHICEINSA-N	402.416	5.087	30	20	HKED	
COc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2C(F)(F)F)C(F)(F)F)cc1	506891395	FDRLZSJZPZIFCN-CQSZACIVSA-N	410.289	5.278	30	20	HKED	
C[C@@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)Nc1ccc(C#N)c(Cl)c1	507242974	ISUGWHVLPDKZCE-SECBINFHSA-N	406.845	5.198	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc1	507557708	YXENIPMUCQVYLL-QGZVFWFLSA-N	417.412	5.149	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc3c2OCCC3=O)cc1	508205170	JPYAXOXCLYJYKG-UHFFFAOYSA-N	414.486	5.068	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)cc1	508260565	SLAOBDJWZUFZTL-INIZCTEOSA-N	419.456	5.723	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc([C@H](C)Oc2ccccc2C#N)n1	508667773	UOYUGOGRTRWAIQ-HNAYVOBHSA-N	411.889	5.293	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c(Cl)c1	510172260	IVGBCSUBRFKTSM-INIZCTEOSA-N	421.953	6.010	30	20	HKED	
CN(C)Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)oc2ccccc12	510820025	HJAVZWXBHOIUAW-UHFFFAOYSA-N	411.461	5.411	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C(C)C	511498534	JYPZWGURIKXONF-UHFFFAOYSA-N	415.493	5.352	30	20	HKED	
CC(C)OCc1cccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	516835512	UJPSIVRZYGZGLT-MRXNPFEDSA-N	411.571	5.253	30	20	HKED	
COc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc(Cl)c1OCC(C)C	517444307	NOYMKIKFFAUZRR-UHFFFAOYSA-N	403.910	5.064	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@@H]2CCCO2)CC1	517761060	FZSIONPEGRPHEJ-REWPJTCUSA-N	424.589	5.006	30	20	HKED	
CC(C)CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	518516753	WCODHGQZAPHULS-OAQYLSRUSA-N	415.518	5.597	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1	518906459	GDYKRVZBEWLIPK-SFTDATJTSA-N	400.444	5.365	30	20	HKED	
C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1nc(-c2ccncc2)cs1	518933622	ULEHCYLSMDXNAV-GOSISDBHSA-N	409.514	5.096	30	20	HKED	
Cc1cc(NC(=O)c2cc3sc(Nc4ccccc4C)nc3s2)n(CCC#N)n1	520112505	SIKKSEHGCKKGGJ-UHFFFAOYSA-N	422.539	5.081	30	20	HKED	
CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)CC1	520197298	BYGAHDRCJKMZQO-WOJBJXKFSA-N	414.619	5.057	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccc(O)c3)CC3CC3)cc2)c1	522845756	DSCXOPJRDSONOC-UHFFFAOYSA-N	413.477	5.500	30	20	HKED	
C[C@@H](Nc1cc(C#N)c2ccccc2n1)c1cccc(NC(=O)Cc2ccccc2F)c1	522935286	HJYSZBNIGYLPEP-QGZVFWFLSA-N	424.479	5.600	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1Cc1cn(-c2ccccc2)nc1-c1ccccc1	523500027	YRCXRMRHMLRPAO-UHFFFAOYSA-N	416.488	5.026	30	20	HKED	
COc1ccc(CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	523880720	SSQDLQWDVZXMGP-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
Cc1cccn2cc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)nc12	524202982	VMFDTOOBAZIWOZ-UHFFFAOYSA-N	416.868	5.141	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)no1)c1c(C#N)nnc2ccccc12	524847011	HVVGGOUMVZFSRZ-UHFFFAOYSA-N	415.472	5.145	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1	530877104	COTWXUYFIUDEOB-HNNXBMFYSA-N	409.433	5.002	30	20	HKED	
CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)Nc1ccc(CC#N)cc1)OCC3	536164793	FRSPYDQYKPHPKO-RUZDIDTESA-N	401.510	5.003	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1	539136783	JBWQONAKYFYVJZ-UHFFFAOYSA-N	415.562	5.333	30	20	HKED	
C=CCC[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(C(F)(F)F)cc1	539332472	UMIZJRVGIMLTSC-SFHVURJKSA-N	421.850	6.206	30	20	HKED	
CC(C)CO[C@H](C)c1noc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	541085809	UFSYKCCBWFURPM-QZTJIDSGSA-N	404.514	5.193	30	20	HKED	
CN(CCc1ccccc1O)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	543359848	AGDUDGMXBHNHEA-UHFFFAOYSA-N	406.869	5.024	30	20	HKED	
Cc1nnc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1	546130782	XQJWHTZVSDODQE-YVEFUNNKSA-N	411.918	5.038	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	548955623	LKLJSDVQPZYUMG-WMLDXEAASA-N	411.493	5.667	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2F)C1	551592358	FFBVLJNPIUFJSQ-IRXDYDNUSA-N	412.534	5.010	30	20	HKED	
N#CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1	551816748	TWQCDNQPPDGKET-UHFFFAOYSA-N	404.285	5.424	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1	553233473	LLFRJIQBMDUVIF-CVDCTZTESA-N	406.526	5.116	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1OCCc2sccc21	555989058	YTTTZNIYSSOYFR-QRQCRPRQSA-N	404.491	5.301	30	20	HKED	
Cc1c(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)sc2ccc(C#N)cc12	560298246	NCWNDTRBOIEAFE-OAQYLSRUSA-N	417.921	5.649	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3c4ccccc4CC34CCOCC4)c2)cc1	570735290	IMPXEZLUQXZANS-VWLOTQADSA-N	424.500	5.175	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ncoc3-c3ccccc3Cl)cc2)ccn1	571459294	WDFMEDQORJXADO-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571608400	GFMVBRATSGUIIE-QGZVFWFLSA-N	414.509	5.309	30	20	HKED	
Cc1ccnc2sc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c(C)c12	574613944	XPKLGMFJLGQNAU-UHFFFAOYSA-N	400.463	5.224	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc2ccccc2[nH]1	579384177	CSAGCJISAKRLNA-UHFFFAOYSA-N	410.477	5.249	30	20	HKED	
CC(C)c1ccc([C@H](CNC[C@H](C#N)CCC#N)N2CCc3sccc3C2)cc1	581655059	NZKOFPLIYDLLMA-CVDCTZTESA-N	406.599	5.004	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccccc1OC	583662057	NPIBTPRCFOPKSI-PXNSSMCTSA-N	422.504	5.093	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2ccncc2)cs1	603454713	HRUAESQAAWJJRQ-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(F)cc2F)cc1Cl	603758766	GHYGYXMDSWAACP-SFHVURJKSA-N	412.823	5.291	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSC[C@@H]2CCCCO2)cc1Cl	608937937	OVZPFMYRQHWNED-AZUAARDMSA-N	414.958	5.236	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12	609507305	BPRMNNYSMXCYRY-MHZLTWQESA-N	422.484	5.005	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)CC3CC3)cn2)c1	609682609	SZYHVVAKMWVUEZ-UHFFFAOYSA-N	416.456	5.329	30	20	HKED	
Cc1cc(Cl)cc2c1N(C(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)CCC2	609789040	VCAPWGNQUVQUQL-UHFFFAOYSA-N	403.869	5.300	30	20	HKED	
C[C@@H](NC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)c1cccc(C#N)c1	610354344	WPXSCRTWMJSRKI-CQSZACIVSA-N	419.447	5.315	30	20	HKED	
C[C@H](NC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cccc(C#N)c1	610400544	SLYZCGKKXIYTJN-OCSRBAQYSA-N	407.517	5.216	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	610587727	VUZAJTJGCKUAJW-DTORHVGOSA-N	411.708	5.076	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	611556750	XYVVBILBCOVPFU-HOCLYGCPSA-N	403.404	5.545	30	20	HKED	
Cc1nc(COc2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c2)cs1	611992907	LTEWXGYWFQWVAE-ZDUSSCGKSA-N	423.563	5.341	30	20	HKED	
CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n[nH]1	613347079	WSIAEMRGBFLWNR-LBPRGKRZSA-N	405.310	5.453	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n[nH]2)o1	613403075	BJPPUPWPVPOIJH-NSHDSACASA-N	416.384	5.097	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3occc3CSc3ccccc3)n2)cc1	619124304	RAECUMVEJQWXAI-UHFFFAOYSA-N	417.515	5.819	30	20	HKED	
C=CCN(CC=C)C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	641895308	KCZKOBNAXNLYCS-XDJHFCHBSA-N	404.535	5.436	30	20	HKED	
N#C[C@@H](C(=O)c1csc([C@@H]2CCCO2)n1)c1nc2cc(C(F)(F)F)ccc2s1	677377103	GVFOLTXZBNXZJE-GWCFXTLKSA-N	423.441	5.113	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	727039822	ZZNYRHCMKOTHLR-ZDUSSCGKSA-N	413.911	5.394	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	729066734	BGLVRTFEKWDEIG-PBHICJAKSA-N	405.523	5.036	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3cc(F)c(Cl)nc3Cl)c2)cc1	729656242	VZUHAUUXHRACSI-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(C)(C)C)no1	732377157	BFHHMXJDVYWTTM-OAHLLOKOSA-N	405.454	5.143	30	20	HKED	
C=CCn1c(SCc2ncc(C(C)C)o2)nc2scc(-c3ccccc3)c2c1=O	733207648	OPKMFCCLXFGECJ-UHFFFAOYSA-N	423.563	5.715	30	20	HKED	
COc1ccc(O)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	734061398	VHIQFBAZSFNMOJ-UHFFFAOYSA-N	423.856	5.040	30	20	HKED	
CC[C@@H](NC(=S)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccs1	734377724	ZQWBTPINBFHIFT-OAQYLSRUSA-N	423.582	5.787	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)c1	735570785	PIROOBWAFSAUJR-SFHVURJKSA-N	420.513	5.419	30	20	HKED	
O=C(/C(=C/c1c[nH]c(-c2ccccc2)n1)c1nc2ccccc2s1)c1ccccc1	742429183	JIOOPKOYUIYSEY-HKWRFOASSA-N	407.498	6.110	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC	743478062	XMJFKCKPMUANIX-HTAPYJJXSA-N	404.510	5.389	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1	744032973	PUIYCQJRHDKJMZ-SFHVURJKSA-N	416.477	5.214	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744073840	HAPVKWMZTYDIMP-CZUORRHYSA-N	414.452	5.673	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	745296488	IFEUDFJNIHVBBC-UHFFFAOYSA-N	423.476	5.127	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(C(F)(F)F)cc2)cs1	746575425	CVOVXSVHRGPJSP-UHFFFAOYSA-N	404.417	5.293	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2SCCc3ccccc32)cc1	749613203	QJNCAHPIXJKTSZ-DNQXCXABSA-N	413.546	5.494	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1-c1ccc(F)cc1	750396750	FSDTWJHLJHARJU-OAHLLOKOSA-N	408.383	5.066	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1	758584198	KAILENULOOQYOK-TZIWHRDSSA-N	417.465	5.064	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccn2)n(CC=C)c1=S	764860308	LDLADZATYUKQGK-UHFFFAOYSA-N	417.991	5.023	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1	765139231	WKVFDYKEQVRKKN-GVAUOCQISA-N	411.505	5.384	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	766275626	OTMRWKIECNJKFD-MRXNPFEDSA-N	424.472	5.626	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)ccc2c1	770846426	IQVQOYWJDRZJHD-BXKMTCNYSA-N	422.484	5.453	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(Cl)ccc2OC(F)F)ccc1OC	772987104	RUJYFDVMDBRYDS-CZUORRHYSA-N	424.875	5.482	30	20	HKED	
O=C(/C=C/c1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1)c1ccnc(Cl)c1	779459558	BVBBJCPZYKLCQC-YDFGWWAZSA-N	409.272	5.576	30	20	HKED	
Cn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(CC#N)cc1	783879331	CTLDQXPBKHVEAM-UHFFFAOYSA-N	423.592	5.075	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	784392239	MOARLECISXAMHU-UYAOXDASSA-N	401.432	5.249	30	20	HKED	
C[C@H](Oc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	796662501	QEKVBSIZYJQMID-KSFYIVLOSA-N	423.497	5.479	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	796790537	RPLOSWYNGNJFNH-QHCPKHFHSA-N	405.457	5.171	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3[C@@H](O)c3ccccn3)c2)cc1	798259493	BQDXRWLXNZGNQI-RUZDIDTESA-N	421.456	5.080	30	20	HKED	
CN(C(=O)NCc1ccc(OCC#N)cc1)[C@H](c1ccc(Cl)cc1)C1CCCC1	798400739	CHHQHZPUUOZZKZ-QFIPXVFZSA-N	411.933	5.315	30	20	HKED	
C#CCC1(c2nc(CC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)no2)CCCCC1	809485604	FGTHJCKOGQHLAB-CQSZACIVSA-N	420.340	5.022	30	20	HKED	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813217899	QEDUVXJVBYCCSL-XJKSGUPXSA-N	414.349	5.564	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	813420677	YAYNPGLRJXBEJB-UHFFFAOYSA-N	415.515	5.031	30	20	HKED	
C[C@@H](OC(=O)c1sc2cccc(Cl)c2c1Cl)C(=O)Nc1ccccc1C#N	913328750	UDSQHUYORCPOSE-SNVBAGLBSA-N	419.289	5.264	30	20	HKED	
N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2ccccc2s1	916627137	ZMNDILMECIMIQF-DZPLQNHZSA-N	415.356	5.206	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc3c(s2)CCCC3)cc1	916679568	SCBNFYLFZFGERX-JOCHJYFZSA-N	401.535	5.604	30	20	HKED	
CC(C)CN(CCC#N)Cn1nc(-c2ccccc2)n([C@@H](C)c2ccccc2)c1=S	919944732	MYSKMNSFJNKKKY-FQEVSTJZSA-N	419.598	5.520	30	20	HKED	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806226	IXVGNZFERGRDLI-CXAGYDPISA-N	424.472	5.221	30	20	HKED	
Cc1c(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)oc2ccccc12	1785934853	FOXKVSXHEYVFOS-UHFFFAOYSA-N	415.493	5.039	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1828821414	NFSVXUCZDGKEEM-NHCUHLMSSA-N	414.615	5.058	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1	1830424267	YONMYQHJQNPAKU-REWPJTCUSA-N	416.650	5.425	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2oc3ccc(Cl)cc3c2C)c(C#N)c1C	18118910	OBGQLFGONKZVIU-UHFFFAOYSA-N	402.859	5.065	30	20	HKED	
C=CCN(C(=O)c1nc(-c2ccco2)sc1C)c1nc(-c2ccccc2)cs1	29282262	UUEZGSBWOSKOAM-UHFFFAOYSA-N	407.520	5.668	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2ccccc2s1	41498054	WHZGEAKPQVWAGK-SFHVURJKSA-N	403.507	5.305	30	20	HKED	
CN(CCCc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161870	SGKZXXFYBFWWFY-UHFFFAOYSA-N	413.521	5.428	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccccc1Oc1ccccc1	56199486	MAFIBIYLKCCMSO-LJQANCHMSA-N	415.493	5.601	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	138763382	JASKLECFDNHTCM-OAQYLSRUSA-N	418.518	5.357	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NCc3cccc(OCCCC#N)c3)s2)cc1	237474250	ATLGJYCJAYHFQS-QGZVFWFLSA-N	421.566	5.661	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1ccccc1OC(F)F	255440839	LZZMCCHHNMYFJZ-UHFFFAOYSA-N	404.457	5.524	30	20	HKED	
COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	303314987	GPAQTXIUQOMCNU-DEOSSOPVSA-N	413.477	5.728	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc2ccccc2n1CC(F)(F)F	426320739	ZABYMLLSKPFLBK-UHFFFAOYSA-N	403.429	5.462	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1)c1ccccc1	427811184	LJVMHUYCKJLMDY-LJQANCHMSA-N	405.523	5.457	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccnn1Cc1cccc2ccccc12)c1ccccc1	429742691	ZOQWLXQTBNKJEY-QHCPKHFHSA-N	409.493	5.251	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1ccccc1)c1ccc(F)cc1	430956906	QLKILEWWRXDJJT-HSZRJFAPSA-N	404.510	5.693	30	20	HKED	
N#Cc1cccc(COc2cccc(/C=C(\Cc3ccccc3)c3nc(=O)cc[nH]3)c2)c1	432706602	LUZNXKUQUWKUMA-LFVJCYFKSA-N	419.484	5.004	30	20	HKED	
CCc1cccc(Oc2ccc(NCc3cn(CCC#N)nc3-c3ccncc3)cn2)c1	432756216	XNPIJFVYHYWIFH-UHFFFAOYSA-N	424.508	5.221	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1C	433011406	OCIIDQAMKCGKES-HSZRJFAPSA-N	407.558	6.257	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436045576	FHRIDBXTNKYNMO-SRHKJQAYSA-N	421.303	5.794	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1F	437474511	QZJROEMFOMGBAZ-UHFFFAOYSA-N	405.816	5.877	30	20	HKED	
C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)Oc1ccccc1F	438029476	BYGMMBXPRWOUKT-INIZCTEOSA-N	405.429	5.079	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	438470669	PXUUYXXLXYSRLL-UHFFFAOYSA-N	424.614	5.104	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3cc(Cl)c(Cl)cc3F)CC2)cc1	439951479	FLUCKPXAWNBATE-UHFFFAOYSA-N	408.260	5.079	30	20	HKED	
CCSc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1	440356315	OQRHSGVPPZGZFS-UHFFFAOYSA-N	417.490	5.040	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	441292693	BLVAAAUJJAPQMP-KRWDZBQOSA-N	423.881	5.394	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2noc(Cc3ccccc3)n2)cc1F	444400002	QDOUDAVQEFDCRK-UHFFFAOYSA-N	400.413	5.076	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	446014969	BUPWSGHESJLNLJ-UHFFFAOYSA-N	421.312	5.298	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC(=O)c1csc2ccccc12	446233318	GRFAKXBRDSTDDE-CTNGQTDRSA-N	402.519	5.163	30	20	HKED	
Cc1cnc([C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C2CC2)s1	460344030	VJIDOFITYHZDSO-NRFANRHFSA-N	403.507	5.191	30	20	HKED	
C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc(C)s1	460776101	BNXOZCVWEYNHMI-XLIONFOSSA-N	422.554	5.078	30	20	HKED	
N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)c2ccc(Cl)cc2)CC1	462368881	HVDDIABCRCUBSF-UHFFFAOYSA-N	410.304	5.513	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)c2ccccc21	469774187	DGMXXGOBPRWEPE-UHFFFAOYSA-N	403.816	5.452	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1	470796378	WETIMDKLQMZCCF-QGZVFWFLSA-N	418.324	5.480	30	20	HKED	
C[C@@H](Nc1cccc(OCCCC#N)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	471671525	OELQLRMYYOQMLV-CYBMUJFWSA-N	417.296	5.899	30	20	HKED	
COc1cc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1Br	472746702	FZTYTSYKALCUMD-LBPRGKRZSA-N	420.332	5.353	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1NC(=O)Nc1ccccc1	474445815	NOPRUQUYWCCZQZ-GOSISDBHSA-N	418.522	5.709	30	20	HKED	
Cc1nc(CC2CC2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	474973515	QHVZTEABVVQKOW-GFCCVEGCSA-N	415.490	5.296	30	20	HKED	
COc1ccc(COCc2cccc(NC(=O)C[C@H](CC#N)c3ccccc3)c2)cc1	475254324	PKZFSYWNRSDSRY-QHCPKHFHSA-N	414.505	5.438	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1	475528018	OOVLJNYNZXYVMP-JOCHJYFZSA-N	416.500	5.384	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC2(CC1)OCCc1ccsc12	475569808	QROIHILLXIYAOY-UHFFFAOYSA-N	410.583	5.696	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1	476068808	YLZMVDJXABTFAP-ONOMSOESSA-N	402.519	5.020	30	20	HKED	
O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N(CCC(F)(F)F)Cc1ccccc1	478853574	AEJFTTSEUWWGFL-INIZCTEOSA-N	422.344	5.593	30	20	HKED	
C=C(C)[C@@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(F)c(F)c1	478906682	BFKFYOPXLXRONB-PGRDOPGGSA-N	413.512	5.205	30	20	HKED	
Cn1cc(CNc2cccc(OCc3ccc(F)cc3)c2)c(-c2ccc(C#N)cc2)n1	479971916	UOTULQXKGLYDBL-UHFFFAOYSA-N	412.468	5.289	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1Cl	483356381	YLQJTHPUSPSZKC-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
CCC(C)(C)N(CCC#N)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1	484462530	RZKWUYMNYDLDIV-UHFFFAOYSA-N	418.544	5.055	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(C#N)c(Br)c3)c2)n1	487936329	RAZQNYHPKFUZNM-UHFFFAOYSA-N	411.259	5.237	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cccs1	489406731	SKROEVVVUDAYOM-OAHLLOKOSA-N	423.567	5.713	30	20	HKED	
Cc1cccc(C(C)(C)CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	498833620	ZJKPYJUGNPFESD-UHFFFAOYSA-N	414.553	5.097	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCC(=O)c2cccc(F)c2)cc1	502830831	YQXSOCZQOBJDBJ-UHFFFAOYSA-N	418.443	5.028	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3cn4ccsc4n3)n2)o1	504571867	YTYMDESTMMTLNH-UHFFFAOYSA-N	420.441	5.542	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@@H](c2ccccc2Cl)C1	505616396	ZQMJCSGMEJFXKH-QGZVFWFLSA-N	402.256	5.130	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3ccccc3Cl)c12	505662797	ORJVXIZDGHBGSK-LJQANCHMSA-N	421.932	5.020	30	20	HKED	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1	509967959	JZLPNXBWFPDBKD-CQSZACIVSA-N	416.868	5.161	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	511628888	NZHJXKWOYFKMMN-UHFFFAOYSA-N	418.522	5.547	30	20	HKED	
CCOc1ccc(N(CC)C(=O)c2cccc(COc3ccccc3C#N)c2)cc1	513117982	HGBYACGONPBWLQ-UHFFFAOYSA-N	400.478	5.203	30	20	HKED	
C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1	513232637	PYEWSOFILAIFNN-GOSISDBHSA-N	417.484	5.396	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	516270004	JLBFHVNVSLTTJV-LJQANCHMSA-N	403.532	5.672	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1	516836900	GCDWLJBHEQKCIY-FQEVSTJZSA-N	424.504	5.406	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccc(Cl)c(Cl)c1	519515668	QMDRJAUSTFRFHT-CYBMUJFWSA-N	409.338	5.795	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1OC1CCCC1	519896527	UNTYDMANFSJRHL-UHFFFAOYSA-N	405.542	5.247	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1Cl)c1ccccc1	520330589	SJWZVHSHJLFPRY-MRXNPFEDSA-N	405.885	5.402	30	20	HKED	
C=CCOc1ccc(CNCc2ccc(Oc3cc(C)ccc3C)nc2)cc1OC	520949601	IYBVRFPHMWIDAK-UHFFFAOYSA-N	404.510	5.354	30	20	HKED	
N#Cc1ccc(OCC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)cc1	524458412	WUWIAYKDYPICAX-UHFFFAOYSA-N	413.408	5.055	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N	531548630	OODUOCCZZHRJHP-INIZCTEOSA-N	404.539	5.052	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1cccc(Cl)c1	532201312	LPEOQXFCXIXIRP-GJZGRUSLSA-N	404.988	6.025	30	20	HKED	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N	532979815	BCTUARXOHYDJHW-SCTDSRPQSA-N	411.546	5.036	30	20	HKED	
Cc1ccc(-c2nc(Cc3noc(CSCc4ccc(C#N)cc4)n3)cs2)cc1	545031712	ZKCPPHYNKJWBOE-UHFFFAOYSA-N	418.547	5.397	30	20	HKED	
CC(C)[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(C(C)(C)C)cc1	548823128	RKLZXQVPODJGSN-HSZRJFAPSA-N	418.585	5.343	30	20	HKED	
C=CCOc1ccc(CNc2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1OC	551091597	YVETZIBUDGTFIF-UHFFFAOYSA-N	402.922	5.008	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1c(F)cccc1N1CCCC1	554206714	PAJBELIVGSXAMQ-MRXNPFEDSA-N	412.534	5.142	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	557581904	KLGVRZVEDYXYEG-HOTGVXAUSA-N	413.543	5.228	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C	563760715	WUYBKTNASBXHEG-AEFFLSMTSA-N	413.521	5.295	30	20	HKED	
CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCOC(C)(C)C1	570975038	DXNUCPKMTJFJOL-QFIPXVFZSA-N	421.541	5.143	30	20	HKED	
C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCCC[C@@H]1c1ccccc1	576315813	UBOFBWUEMDYNOT-RBZQAINGSA-N	414.553	5.441	30	20	HKED	
C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1ccccc1F	595527123	LGPLEIXUAJSSIN-UHFFFAOYSA-N	413.428	5.302	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)c2C#N)C1	603616059	WXIPMVVMFHWNHL-INIZCTEOSA-N	421.566	5.298	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	603689537	OQMCMTZBNORTEO-INIZCTEOSA-N	402.454	5.027	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1	606586898	DIWFTERKZVSYGA-UHFFFAOYSA-N	419.550	5.240	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2)nc1	609496361	NUJPMAPORUIJGJ-UHFFFAOYSA-N	405.457	5.589	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cc(F)ccc1F	610142369	ZQSGNILIHDZQED-HXUWFJFHSA-N	408.408	5.297	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)N(CCC#N)Cc3ccco3)c2)c1	610196933	QMMNTHDYELPLMH-UHFFFAOYSA-N	404.535	5.745	30	20	HKED	
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1S[C@H](C)CC#N	610674404	LIBFBKTVMBYDEV-IEBWSBKVSA-N	408.571	5.343	30	20	HKED	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	611549581	WFYNOYJJDJVGAG-YOEHRIQHSA-N	404.457	5.512	30	20	HKED	
CN(Cc1ccc(F)cc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	612804790	WJYDJHYOCWXNCB-QWRGUYRKSA-N	418.328	5.016	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(C)cc4)c3C)n2)cc1	613318389	ZWDVQIAZHYOSHD-FQEVSTJZSA-N	412.518	5.411	30	20	HKED	
Cc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	613407084	HQWKPHZNHWQMCU-ZDUSSCGKSA-N	405.704	5.511	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(C)c1	617936688	VQGUNJZLGKZKSR-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622477655	GQQNNZRCCWSQRL-YVEFUNNKSA-N	421.356	5.833	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccccc2)nc1)c1nc2cc(C(F)(F)F)ccc2s1	624443655	CIMCDBOHOPIUEL-HNNXBMFYSA-N	424.407	5.262	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2cccc(Cl)c2)n1	642252735	UUAMQLVPBIMJJL-UHFFFAOYSA-N	422.941	5.656	30	20	HKED	
O=C(Nc1ccc(Cl)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	642398665	MYTWRUJQOPGXOO-HTQZYQBOSA-N	406.729	5.510	30	20	HKED	
N#C[C@@H](C(=O)c1csc(Cc2cccc(F)c2)n1)c1nc2cc(F)ccc2s1	679540175	IYBMVADIXDBSEI-AWEZNQCLSA-N	411.458	5.112	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)cc1	726940537	NGFQPAXIYYDGLE-UHFFFAOYSA-N	424.504	5.091	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1ccc(OCCC(=O)O)cc1	728441219	HGHYKNQAEUUBFN-FLIBITNWSA-N	411.454	5.007	30	20	HKED	
COc1ccc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cc1OCCCC#N	729151108	PBOKZDIYFLUNLI-GXDHUFHOSA-N	402.277	5.507	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2csc3ccccc23)cc1	730062032	FKHXZCORKGWEEK-QGZVFWFLSA-N	419.550	5.598	30	20	HKED	
N#C[C@H](NC(=O)CSc1nc2ccccc2s1)c1c(Cl)cccc1Cl	730092641	OAMUXIILUFYEDZ-ZDUSSCGKSA-N	408.335	5.076	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1nc2cc(Cl)ccc2s1	730922528	UKUBUPQXRWQCLB-CEXWTWQISA-N	402.906	6.083	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1cccc(Cl)c1Cl	731195263	CLMSAYXXHPOXPH-INIZCTEOSA-N	423.390	5.857	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1	731540287	LRZHYCLFKCZWQR-QFIPXVFZSA-N	414.933	5.272	30	20	HKED	
N#C[C@@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1ccc(Cl)c(Cl)c1	731644838	UXNXHGXYKVBNPQ-ZLQZBKBYSA-N	416.695	5.589	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	733628208	NEQVXQCFJRTOJF-UHFFFAOYSA-N	402.410	5.173	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1	733772153	YSPAZUHOMCVJTB-MNEFBYGVSA-N	403.309	5.094	30	20	HKED	
C=CC[C@H](NC(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21)c1ccncc1	734683248	KBDHPFOHHOIRHM-UIOOFZCWSA-N	411.549	5.907	30	20	HKED	
N#CCOc1ccc(Cl)cc1CS[C@H](C(=O)N1CCCCC1)c1ccccc1	735320288	PKXLUFRPQRRIEE-NRFANRHFSA-N	414.958	5.229	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)o1	740479159	OFHRYMOXPYMDFI-IRLDBZIGSA-N	409.530	5.350	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)c(OC)c1OC	741843146	NSCWJVBYYQOSQV-UXBLZVDNSA-N	412.429	5.263	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	743100905	JXBGMDNGDHNBFX-UHFFFAOYSA-N	417.440	5.042	30	20	HKED	
CCOc1ccc(C=NO[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1	744444303	VBTYSVKFLVVSFL-CYBMUJFWSA-N	405.376	5.266	30	20	HKED	
CC(C)(C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc2ccccc2c1	745416008	OGRRIDYPSWPHHJ-UHFFFAOYSA-N	424.500	5.412	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc(Cl)cc1	745723980	HZZAWXADZVLHEA-UHFFFAOYSA-N	409.917	6.063	30	20	HKED	
C[C@H](C#N)CN(C)Cn1nc(-c2cccs2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S	746706549	MVADUYNMZZQDBB-RSJGLCBASA-N	415.632	5.189	30	20	HKED	
Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-]	747003191	ANDRAOZQQYXFIA-MDZDMXLPSA-N	410.433	5.047	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)N[C@@H](C)c1ccccc1	749101010	ABTYMDFZHJGZHV-AWEZNQCLSA-N	407.352	5.212	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2coc(-c3ccccc3)n2)cc1)Nc1ccccc1	749885722	FHLNKCCXMHCZNW-SSZFMOIBSA-N	424.456	5.255	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1C#N	752199172	WIYCGQCDSFUKFE-UHFFFAOYSA-N	402.454	5.051	30	20	HKED	
N#Cc1cc(Cl)ccc1SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	753831973	CMISBFNJMYCXJY-INIZCTEOSA-N	409.923	5.304	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)c2)cc1	754395550	NWTFVYOAYUZWCE-VXKWHMMOSA-N	417.534	5.092	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCc2cccc(F)c2)C2CCCC2)c1	757211334	SJZIXUXNJYOPFH-HSZRJFAPSA-N	423.532	5.204	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)[C@H](OC3CCOCC3)c3ccccc3)cc2)cc1	758145370	YKYBFKPGNMAKAO-RUZDIDTESA-N	413.473	5.068	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C(C)=C\c1cccc(Cl)c1	759206286	LVANCXMIGVWPOZ-DJXGBFBFSA-N	417.292	5.061	30	20	HKED	
C=C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	759220270	CZDCOBDVXZRAFF-XJKSGUPXSA-N	400.425	5.851	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1C	759928415	VHSXNDRZZIQJEZ-IBGZPJMESA-N	408.571	5.052	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)CCO2)c1	761835273	DXNFVWNNMBLTBR-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
C#CCCc1noc([C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)n1	761999062	KPZLOFXLYJARLW-ZDUSSCGKSA-N	422.535	5.007	30	20	HKED	
N#C[C@H](C(=O)CCCc1cc(F)ccc1F)c1nc(-c2c(F)cccc2F)cs1	762050986	GYKNHBIKAWFYAK-CQSZACIVSA-N	418.415	5.566	30	20	HKED	
Cc1nc([C@@H](C)ON=C2CCN(C(=O)C(C)C)CC2)oc1-c1ccc(Cl)cc1	763171852	SGQYISFNIBOMNQ-OAHLLOKOSA-N	403.910	5.015	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccc(C(F)(F)F)cc2)nnc1-c1cccs1	764690706	SDUFGYGJLIFFHQ-CQSZACIVSA-N	411.474	5.037	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	765331185	PGKGZJFTJWEPRZ-MOPGFXCFSA-N	400.950	5.066	30	20	HKED	
C[C@H](c1ccccn1)N(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(N(C)C)cc1	766581962	BBSSVWNUQAXINN-LJQANCHMSA-N	410.521	5.111	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)cc1Br	768775984	GBDMNXLMMNVQOT-INIZCTEOSA-N	409.283	5.061	30	20	HKED	
CC[C@@H](Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1)c1ccc(C#N)cc1	774329729	UGUHRNHUUUVPEO-JOCHJYFZSA-N	412.493	5.357	30	20	HKED	
C[C@@H](NCc1cccc(Br)c1O)c1ccc(-c2cccc(C#N)c2)cc1	782380926	KOBNMEUKMBCABI-OAHLLOKOSA-N	407.311	5.544	30	20	HKED	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	783068977	BMYQAWAAHBTJLE-CXAGYDPISA-N	416.424	5.473	30	20	HKED	
COc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F	785526942	DWNGBDDBULYOKI-CQSZACIVSA-N	423.875	5.785	30	20	HKED	
N#CCCn1cc(CNc2ccc(OC3CCCCC3)cc2)c(-c2ccncc2)n1	788515643	LRHMOQSIFLJVBB-UHFFFAOYSA-N	401.514	5.182	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN2CCC(CC(F)(F)F)CC2)c1=S	789527595	KVMODSLSQMKQKY-UHFFFAOYSA-N	414.472	5.028	30	20	HKED	
CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(C(F)F)cc2)cc1	794470254	GTARSDOAWSLFEJ-UHFFFAOYSA-N	416.497	5.263	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	796466149	MPFLONKGUGZWDA-QHCPKHFHSA-N	421.500	5.513	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(C2CCC2)c1	798737764	AFPFFNIGJCTCOT-MRXNPFEDSA-N	408.523	5.001	30	20	HKED	
C#CCN(Cc1ccccc1)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C	806806355	BKEUYNKDIQLIPV-GOSISDBHSA-N	419.550	5.033	30	20	HKED	
CC(C)(C)Sc1ccc(-c2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)nc1	809447232	MRNDWXIJPGQBRQ-UHFFFAOYSA-N	403.467	5.216	30	20	HKED	
CC[C@@H]1[C@@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1C(=O)OC(C)(C)C	810370243	CKNVJZUFAIWXEU-SOLBZPMBSA-N	417.575	5.055	30	20	HKED	
CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1	915084992	COJNVHNLOIGAKZ-HSZRJFAPSA-N	406.489	5.342	30	20	HKED	
CCCC(=O)Nc1ccc(O)c(C(C)=NNc2cc(C)c3cc(Cl)ccc3n2)c1	916544034	PFHOFQASEKHZSF-UHFFFAOYSA-N	410.905	5.477	30	20	HKED	
Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)coc2c1	916654058	VBJIJKRAGXPACB-GOSISDBHSA-N	406.894	5.937	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3)n2)cc1	916914466	LSBYSWKQGBNNEM-LJQANCHMSA-N	403.507	5.114	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(Br)c1	917025520	MIIXZLCLLWDWHG-FVNWOWOISA-N	423.335	5.771	30	20	HKED	
Cc1cc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1Cl	920266079	XDMXGCFFLGCMOT-QGZVFWFLSA-N	411.914	5.202	30	20	HKED	
N#C[C@@H](C(=O)CCCOc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	920807033	WFLICVOSHUAAHP-HNNXBMFYSA-N	416.424	5.263	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)s3)CC2)C1	1805450573	KGCSUIUOFDFWJZ-UHFFFAOYSA-N	421.006	5.015	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C)[nH]n1	1819555504	JSOLYMOIPCUFIJ-FQEVSTJZSA-N	408.546	5.016	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832372081	QBUQHSNJWJQLLY-BUZMGHMJSA-N	414.634	5.201	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccccc1C	11168531	VPLPQIJMZWJYCG-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(C)c(C)c1	22695575	DQWZKUBSYVLAJS-UHFFFAOYSA-O	409.600	5.574	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1cccc(Cl)c1	22730564	ZXFNRDVKODWQRQ-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	25034397	JJSSMXJLLFONNT-CQSZACIVSA-N	424.957	5.028	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccccc1C	39743056	NSFDQGRWBPUSRU-MRXNPFEDSA-N	424.595	5.281	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2cccc(C#N)c2)cc1	60084013	LMJURKBQZDFDPL-UHFFFAOYSA-N	409.489	5.311	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc(Cl)c1OCC(C)C	60488262	NNGPRRCWTFCMLI-AWEZNQCLSA-N	414.914	5.483	30	20	HKED	
CCc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	65046620	NOLDFLMOQKYSAS-NSHDSACASA-N	408.335	5.626	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)c2ccccc2Sc2ccccc2C#N)n1	78513773	RBBSXTZGSASJAE-UHFFFAOYSA-N	407.564	5.393	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCC#N)c2)c(C)n1-c1cccc(Br)c1	108650201	WWUNVZAFQGJJQM-UHFFFAOYSA-N	424.298	5.011	30	20	HKED	
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(-c3ccccc3C#N)cc2)o1	303143230	BMSWPTYOKZKSDR-VWLOTQADSA-N	406.489	5.216	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c(OCCC)c1	429112269	GPVHJMCXDZVCES-QGZVFWFLSA-N	406.404	5.168	30	20	HKED	
Cc1nsc(C)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	429682142	NCROXTOEQJJRHX-LBPRGKRZSA-N	408.335	5.680	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1ccc(C(F)(F)F)cn1	433101316	AZFHBQMRRKOOPW-HXUWFJFHSA-N	419.406	5.593	30	20	HKED	
C[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1	434826959	HULAYVPVAQPCEM-HXUWFJFHSA-N	415.562	5.504	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1	436328779	JWJSKXJEJNGTKW-CLJLJLNGSA-N	421.500	5.049	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438649854	OBWASPUQHRPIIC-UHFFFAOYSA-N	404.401	5.092	30	20	HKED	
CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@H](CCC#N)c1ccccc1	440238812	IVKOQBJORKAUSD-HXUWFJFHSA-N	414.347	5.414	30	20	HKED	
C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cc1nnc(-c2ccc(C#N)cc2)o1	441058880	CECBIDSNCFZLLX-SIBVEZHUSA-N	420.516	5.187	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(NC(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1	441550335	JJXNTHMLEOPRIH-LJQANCHMSA-N	419.447	5.236	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc2cc(C(F)(F)F)ccc21	442612956	VIPDDOWHWRBULM-CYBMUJFWSA-N	411.305	5.101	30	20	HKED	
C[C@@H](c1ccco1)N(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1	444398138	SUWVDKAUDLBOIK-HNNXBMFYSA-N	405.429	5.840	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1cccs1	460552799	AZHXBYALBIURTO-CUWPLCDZSA-N	408.571	5.358	30	20	HKED	
CC(C)N(Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1)C[C@@H]1CCCCO1	462607244	SQYUIWOYEMFNJW-NLFFAJNJSA-N	419.569	5.080	30	20	HKED	
Cc1cc2cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)oc2cc1C	463271639	GZGKOHGCYHZHKG-UHFFFAOYSA-N	409.445	5.426	30	20	HKED	
CC(C)c1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c2cnn(C(C)C)c2n1	464934462	JMVYUYVJLLKLBU-NZQKXSOJSA-N	415.541	5.048	30	20	HKED	
N#CCSCCCSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1	466624761	IODCUKMPFGOSBD-UHFFFAOYSA-N	414.987	5.386	30	20	HKED	
C[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1	467387230	FYPGGUZLVGFRHE-ZETCQYMHSA-N	412.252	5.109	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1	467910313	QCXPKWPSJPTHEN-NRFANRHFSA-N	405.479	5.017	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cnc(-c4cccs4)s3)ccc21	469092773	XRWWQFQAZNHXQV-UHFFFAOYSA-N	408.552	5.067	30	20	HKED	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)C[C@H](CC#N)c1ccccc1	474594985	ONARDTRMZGKKPJ-FQEVSTJZSA-N	413.525	5.006	30	20	HKED	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	474881857	JONFNBUJLDVNQE-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(OCC2CCOCC2)cc1	475545279	BFBRDLCCMMTNBV-UHFFFAOYSA-N	408.542	5.988	30	20	HKED	
N#CC[C@H](CC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1	475594232	FCBZCLHEPONRLL-WIYYLYMNSA-N	400.444	5.847	30	20	HKED	
CCc1c(C(F)(F)F)noc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	476716428	AFTUQMAWRQLBTH-UHFFFAOYSA-N	401.344	5.172	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCC1)c1ccccc1	477938539	KPHUDKQKCIYGDM-UTKZUKDTSA-N	421.566	5.067	30	20	HKED	
Cc1ccc(-c2noc(CCCNc3ccccc3S[C@@H](C)CC#N)n2)cc1F	480021145	NRTZCNNJHKTPKO-INIZCTEOSA-N	410.518	5.623	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1cccc(C)c1)C(F)(F)F	481333282	XEBFUYVHAHVVPQ-LJQANCHMSA-N	408.468	5.164	30	20	HKED	
C=CCN(C(=O)c1ccnc(C#N)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	483130079	VTOBMTYYOJXUEF-UHFFFAOYSA-N	415.305	5.216	30	20	HKED	
CCOc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1	483215654	IISXWLYTAFATOL-SFHVURJKSA-N	409.445	5.311	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1nccc2ccccc12	483986855	XILAMCAWYZPDTD-HXUWFJFHSA-N	412.395	5.234	30	20	HKED	
C=CCC[C@H](C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1	487546522	CYFVTAUNEHKUOO-KRWDZBQOSA-N	419.352	5.530	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc3cc(F)ccc3[nH]2)cc1	488009508	NIKROGFDVCKPSK-UHFFFAOYSA-N	401.416	5.160	30	20	HKED	
Cc1c(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)sc2ccc(C#N)cc12	499494048	AUPJJAPHFHCIRY-UYAOXDASSA-N	408.498	5.213	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1	501154087	VLFGXWSDFNNHRR-UHFFFAOYSA-N	419.481	5.069	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)c(C(F)(F)F)c1	501597548	KXNCWSBIZPFCCA-CQSZACIVSA-N	421.488	6.132	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1	504364214	ZQFHOOOQDVVDKN-UHFFFAOYSA-N	409.536	5.273	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1	505185910	SSCHFZWVGZYCCR-RPBOFIJWSA-N	412.489	5.160	30	20	HKED	
N#C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccc(Cl)cc1	505809345	OCXDVXMFJMAZNR-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
Fc1ccc(-c2nc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)co2)cc1	505861949	GYXBHANZFYDOKQ-INIZCTEOSA-N	418.312	5.893	30	20	HKED	
Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1C(=O)N(C)C(C)C	508561893	BPJGYZQVCXVJSR-UHFFFAOYSA-N	405.523	5.123	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)cc1Cl	510056959	QRAFNAJNRAUPTN-IFMALSPDSA-N	422.960	5.088	30	20	HKED	
CC(C)(C#N)CNC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1	512797247	JYKLZJLVBTZFKU-UHFFFAOYSA-N	405.420	5.189	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)sc2C)cc1	513653722	GXVBUPOTJAJMCQ-KRWDZBQOSA-N	404.516	5.832	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12	515873801	FRKZDDQPBCESOL-UHFFFAOYSA-N	401.441	5.166	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)Cc1ccc(OC)cc1	517532088	JWGXTFDBMIVQEP-ZWKOTPCHSA-N	411.571	5.432	30	20	HKED	
N#C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	517605606	MZHVUQVDIPZSGE-IBGZPJMESA-N	400.425	5.332	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1[nH]c2c(c1C)C(=O)CCC2	517684986	DIWSPJLKHHWIKX-UHFFFAOYSA-N	415.468	5.008	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccc2)ccc1Cl	518361867	IPWAXMRICCWKCW-MRXNPFEDSA-N	406.938	6.511	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCSc2c(F)cccc21	518752876	BFRAAYRMMTWOTQ-CZUORRHYSA-N	401.532	5.579	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1	519718677	BHAGBQKYJSGIKK-UHFFFAOYSA-N	413.949	5.827	30	20	HKED	
CC[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1	520821640	QNIQIZWOIWMZJC-BEFAXECRSA-N	419.015	6.415	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1	521714944	WTYDNEQOBIYISK-UHFFFAOYSA-N	424.476	5.104	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1Oc1ccccc1	524692101	OJVTYAPCVXANRW-UHFFFAOYSA-N	421.456	5.814	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	524941598	ZEVNPVWGPPUZFR-UHFFFAOYSA-N	406.530	5.431	30	20	HKED	
Cc1cccc(-n2c(SCc3nnc(-c4cccc(C#N)c4)o3)nc3ccccc32)c1	525623384	ZGAIPBAIJYZRRB-UHFFFAOYSA-N	423.501	5.548	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2	534476204	HMZCDOPIYTXIAI-CQSZACIVSA-N	416.616	5.018	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1cccc(NC(=O)c2ccccc2)c1	538128403	NYBHRYWRYHYTRG-MRXNPFEDSA-N	421.447	5.263	30	20	HKED	
N#CCC1CCN(C(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)CC1	541040123	YNDCKKUHHIMCCZ-HXUWFJFHSA-N	403.860	5.043	30	20	HKED	
CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542933046	HZHYIAOBLRUQPM-IEBWSBKVSA-N	412.489	5.073	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccc(F)cc1F	542935040	YXLDCTYXSOFASH-CVEARBPZSA-N	405.448	5.181	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)cc1	543608299	DTNKAHZOQHFYMM-BJKOFHAPSA-N	415.468	5.091	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N	544416052	UTECFMRRXISCRW-OXJNMPFZSA-N	407.539	5.039	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CCC(F)(F)CC1	554261596	WHJATMCRBLIFPV-UHFFFAOYSA-N	403.404	5.531	30	20	HKED	
N#CCCC[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1	556201740	WFXAWMOCYVRFIL-IFMALSPDSA-N	422.370	6.333	30	20	HKED	
Cc1c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)sc2ccc(C#N)cc12	559909079	QBVGLZPQHSUCPI-HNNXBMFYSA-N	402.523	5.503	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)c(Br)c(Cl)c1	560550006	SOAJFYDBXSIUMT-PBHICJAKSA-N	421.697	5.154	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	561228220	NLWNTFBKSWNXTN-UHFFFAOYSA-N	420.435	5.062	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)cc1	562087565	QQLZADPIBPQTTE-SFHVURJKSA-N	400.404	5.394	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C	564383937	DPFRAQJJDSJZBE-HCUBDLJJSA-N	414.553	5.092	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCC1(F)F	577639835	UOBKGMXHLGQJTB-RDTXWAMCSA-N	403.860	5.504	30	20	HKED	
C=C[C@](C)(CCOC)c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	578174159	LCHMHVQAIZZKAF-HSZRJFAPSA-N	418.522	5.402	30	20	HKED	
C=C(C)COc1cccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1	579988642	QUMDWFNTWKENBG-UHFFFAOYSA-N	405.498	5.025	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)n1	580655662	DEMFIIVUHKHESQ-INIZCTEOSA-N	420.563	5.296	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(C#N)cc2C(F)(F)F)ccc1OC1CCCC1	589504850	ORXCRGZUWQKQQO-HNNXBMFYSA-N	418.459	5.758	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc(F)cc3F)cc2)c1	590288797	RAXXWOZVYCCEKK-UHFFFAOYSA-N	420.415	5.017	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)C)cc1	603705770	UYPBPQMUDVUIPI-QVKFZJNVSA-N	411.933	5.177	30	20	HKED	
N#CCc1ccc(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)cc1	603751025	ICSKWICMWXDUMU-OAQYLSRUSA-N	421.294	5.274	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1C#N	604047284	NPDSIAQEWAMQLP-OAHLLOKOSA-N	416.868	5.315	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2Cc3ccccc32)cc1Cl	604084993	RIAYJDPPRKNIDG-GCJKJVERSA-N	401.897	5.457	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2Cl)cc1	604090422	YKOPJNYFBNIMBK-HXUWFJFHSA-N	423.925	6.434	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(C)(C)[C@H]1c1ccccc1	604365106	OUECUPHXKNUXPE-XMMPIXPASA-N	411.505	6.274	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2c(s1)CCCC2	607289228	FBTOIVTYNKHRML-GJZGRUSLSA-N	422.472	5.243	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3cc(Cl)ccc3s2)c1	608803738	UFTOAOTVLQLEMB-UHFFFAOYSA-N	409.854	5.246	30	20	HKED	
CCCOc1ccc(CN(CCC)C(=O)c2cc3ccccc3n2CC#N)cc1OC	609164693	UINWXKWVPZJQGO-UHFFFAOYSA-N	419.525	5.015	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](Cc4ccccc4)C3)s2)cc1	609279491	XIPFVNRYHDCGOB-OAQYLSRUSA-N	416.550	5.092	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl	609682277	HBSSTHSPERESOA-YWZLYKJASA-N	401.963	6.253	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H](C)c1cccnc1	609683326	OOJDDJOILJQESV-INIZCTEOSA-N	420.900	6.014	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1	609736767	PDDXMFPLVJXYBL-HXPMCKFVSA-N	407.461	5.340	30	20	HKED	
Cc1ccc(SCC(F)(F)F)c(NCC(=O)Nc2cc(Cl)ccc2C#N)c1	609915073	XFOBKDQSSBGBIO-UHFFFAOYSA-N	413.852	5.225	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)o1	610095184	ISIBLDQHUXEUTI-XLIONFOSSA-N	411.571	6.243	30	20	HKED	
O=C(O)C(=O)/C(=C\c1ccc(-c2ccccc2Cl)s1)c1ccc2ccccc2n1	728156260	DNJGSALUWXHNGV-LGMDPLHJSA-N	419.889	5.811	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(O)c(C)c2)cs1)c1ccc(F)cc1F	728230159	ARTILTJWVKJZIG-YVMONPNESA-N	414.433	5.016	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	729887943	FUVFDVUROTVCHV-RMHUIEEYSA-N	414.864	5.017	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F	730486797	XHYUYYYHOYPLJD-UHFFFAOYSA-N	408.404	5.163	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCc2c[nH]c3ccccc23)cc1	730895884	MBPKWCQIEKCLFT-DEOSSOPVSA-N	408.505	5.578	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	731288840	YPVNZVRZEGCIFT-GBESFXJTSA-N	401.416	5.565	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)Nc1cccc(Br)c1	731321129	NJHMVCXETXJYDX-LBPRGKRZSA-N	406.374	5.652	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(Cl)c(Cl)c1	731643222	FDPFCPSQDNJFQO-INIZCTEOSA-N	409.363	5.467	30	20	HKED	
O=S(=O)(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(F)cc1Cl	734154229	WXKGUZYESCHDDX-AWEZNQCLSA-N	417.207	5.011	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)o1	734304749	VESHZYAOVWZSIC-YFHOEESVSA-N	405.469	5.251	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	734344989	VAELVXOSWNUJNP-RAXLEYEMSA-N	401.853	5.116	30	20	HKED	
N#C[C@@H](C(=O)CC/C=C/c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	739157780	WXVMESTYYSCAFB-YCOJEUHLSA-N	400.425	5.985	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)/C=C/c1ccccc1C#N	741200108	PXSFAAXWJLDKRR-FMIVXFBMSA-N	410.452	5.211	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(COCc2ccccc2)cc1	741611662	RUGIOMMIDQFHCQ-UHFFFAOYSA-N	411.461	5.220	30	20	HKED	
N#CCSc1ccccc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1	742108313	BEJSNUPAHVVAPQ-UHFFFAOYSA-N	404.457	5.173	30	20	HKED	
CCOc1ccc(C=NO[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1	744444305	VBTYSVKFLVVSFL-ZDUSSCGKSA-N	405.376	5.266	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccccc1	747988843	HAYZPQYKFBOBEG-UXHICEINSA-N	401.432	5.597	30	20	HKED	
CC(C)Cn1c(-c2ccco2)nn(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1=S	751931026	HTXVHPVZFPNTAC-VQTJNVASSA-N	421.570	5.059	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)c1	752666147	KLTBPAIKSLVRDY-QFIPXVFZSA-N	406.482	5.002	30	20	HKED	
C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ncc(-c2ccc(Cl)cc2Cl)o1	753385406	SJCRNQLFEALCNJ-SECBINFHSA-N	423.202	5.716	30	20	HKED	
CSc1nc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2s1	757801972	WVRJNNZGBZPYGN-UHFFFAOYSA-N	419.535	5.048	30	20	HKED	
C#CCCN1CCC(NC(=O)c2ccc(C)cc2Sc2ccc(Cl)cc2)CC1	759873236	STMVNMUJCRCQQI-UHFFFAOYSA-N	412.986	5.017	30	20	HKED	
C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	762690682	MBAKYBWWIVQKJB-FDDCHVKYSA-N	416.546	5.093	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	763882829	YRLUOHNZIBGPBY-FXAWDEMLSA-N	415.578	5.306	30	20	HKED	
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	765910874	VSJQUWVGNSHNSP-VEYWIMSWSA-N	417.484	5.115	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cnc(Cl)c4ccccc34)cn2)c1	766401419	XDRWDCKLVXAKOK-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
FC(F)(F)c1cc(NN=CC2CCC(C(F)(F)F)CC2)nc(-c2ccccn2)n1	767377270	HYQQIFAPBVRPJB-UHFFFAOYSA-N	417.357	5.324	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)OCc2ccccc2C(C)(C)C#N)cc1	767967590	IDZYXAFCNYYGIB-UHFFFAOYSA-N	408.498	5.121	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	771100125	WPGGBGHLJXLXHX-DUMMIQTOSA-N	424.497	5.188	30	20	HKED	
CC(C)Oc1ccc(NCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1C#N	771885309	MAKWGZDNRRJMDQ-UHFFFAOYSA-N	403.269	5.314	30	20	HKED	
COc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1O	772387532	NHFXCTSXONXVKK-SDQBBNPISA-N	400.434	5.025	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1	773090189	DDPFCBUNQUDKJP-HRAATJIYSA-N	418.459	6.020	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Oc2ccccc2-c2nnco2)cc1Cl	776339205	JGELFNHEEGGUQD-UHFFFAOYSA-N	417.808	5.273	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1COCc1ccccc1	780498787	VPNMBXUQGPLBMB-SFHVURJKSA-N	401.466	5.338	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N	780552461	WTIXESKUUJTFGP-RTBURBONSA-N	415.493	6.070	30	20	HKED	
N#Cc1cc(F)c(C=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c(F)c1	782171027	OJTRWVXHJJXQDQ-UHFFFAOYSA-N	409.396	5.093	30	20	HKED	
Cc1c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cnn1C(C)(C)C	787187219	RUAFAODTWUPBNG-OUKQBFOZSA-N	411.509	5.090	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C2OCCO2)c1	791260558	XPYULVDKULHPOF-UHFFFAOYSA-N	402.475	5.007	30	20	HKED	
COc1ccc2oc(C(=O)/C=C\c3cnc(-c4ccccc4OC)nc3)c(C)c2c1	792882715	HZPUXPUPRANSEY-NTMALXAHSA-N	400.434	5.112	30	20	HKED	
Fc1ccc(C(C[C@@H]2CCOC2)=NNc2nc(C(F)(F)F)nc3ccccc23)cc1	792940888	OIGMDMFLICBTOH-ZDUSSCGKSA-N	418.394	5.031	30	20	HKED	
C#C[C@@H](NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1)c1ccc(Cl)cc1F	805776473	SFGJWQRCCUWTGK-BLLLJJGKSA-N	401.894	5.166	30	20	HKED	
C#CCOc1ccc(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1	808829868	HGSLJUGUDZGTOJ-UHFFFAOYSA-N	423.925	5.066	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	808980452	ZXEMEEOHBDRSAC-ZDUSSCGKSA-N	407.804	5.367	30	20	HKED	
CO[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	815911545	FHVDTUALIXTVOE-GRDNDAEWSA-N	409.338	5.498	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)s1	893332244	NDLPLQNWHSTEPW-UHFFFAOYSA-N	414.579	5.327	30	20	HKED	
C=C(C)CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccnc2)SC1=S	914866832	AWXONDJZSVTJBW-GIJQJNRQSA-N	416.955	5.091	30	20	HKED	
CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Br)cc2Br)cc1	916140226	GULKBUFSCHXPCW-WTKPLQERSA-N	423.104	5.066	30	20	HKED	
Cc1cccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c12	916940193	VQWBJTFZTSRKNH-LLVKDONJSA-N	421.280	5.617	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SC(F)F)cc2)cc1	916953573	DEYZUVFSWNABOW-SCLBCKFNSA-N	402.466	5.476	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cnc2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1	916977449	QWUHHNLRERPHNS-OAGJVSPASA-N	416.893	5.296	30	20	HKED	
COc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Cl	917045949	DNUUNLAQURDDGO-CYBMUJFWSA-N	405.306	5.421	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(CCC)CC(F)(F)F)c1=S	917436237	DRBVTZYVFMSYHJ-UHFFFAOYSA-N	404.889	5.152	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2cccc(OC3CCCC3)c2)SC1=S	917645207	UYIXQUYSKHNLGI-MOSHPQCFSA-N	406.532	5.285	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2c(F)cccc2Oc2cc(C)cc(C)c2)cc1C#N	1586702881	DKJMJOYODRQJLK-UHFFFAOYSA-N	423.469	5.181	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3C)CCC2)cc1	1786103231	LKXLNRUIADVUKE-UHFFFAOYSA-N	417.553	5.215	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3sccc3Cl)CCC2)cc1	1786678353	SGKFBEQHZYJHGR-UHFFFAOYSA-N	420.987	5.068	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1	1790959103	NMLBSTCZVYUSQD-UHFFFAOYSA-N	407.901	5.145	30	20	HKED	
C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1)C(F)(F)F	1791304574	GKVFTRGTJIQYHV-UHFFFAOYSA-N	422.834	5.206	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2)CC1	1823753967	SFGRUNARTJVGKI-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	18595893	SXYMLECPIGEKPL-JTQLQIEISA-N	419.293	5.034	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1cccc(C)c1C	22729299	MCVIDYISEKVIFM-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=CCn1c(SCc2nc(C(C)C)no2)nc2sc(-c3ccccc3)cc2c1=O	29139076	RWSRTEVZKAJPTL-UHFFFAOYSA-N	424.551	5.110	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1	41515659	GNUDJKXTJRURFX-HNNXBMFYSA-N	416.428	5.024	30	20	HKED	
Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)c3nc(C)cs3)cc2[N+](=O)[O-])cc1	41521786	WDJQNMABQCBIEY-MRXNPFEDSA-N	409.492	5.309	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1	46669327	ZLRHSLSAONORGQ-GOSISDBHSA-N	409.530	5.037	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N	60984892	RWEHOHKMFUQQHT-UHFFFAOYSA-N	423.485	5.289	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1	63400820	ZYLBEDZNKHBQRA-QGZVFWFLSA-N	403.482	5.162	30	20	HKED	
O=C(CNc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(Cl)cc1C(F)(F)F	65208198	HZUJOONVHKJMIO-UHFFFAOYSA-N	414.708	5.567	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)cc1	71944219	HKRPXIUUSPJOAU-OAHLLOKOSA-N	418.884	5.347	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc(C(C)C)no1	97120439	VXGDVDSTTXFDFN-ZDUSSCGKSA-N	419.938	5.056	30	20	HKED	
C=CCn1c(SCc2csc(C3CCCC3)n2)nnc1-c1ccccc1F	195735016	DHMGNEHTINTCNC-UHFFFAOYSA-N	400.548	5.677	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)Nc3nc(C(F)(F)F)ccc3C#N)s2)cc1	301257280	DOFUSMGPDFXJFH-LLVKDONJSA-N	418.444	5.586	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Cl	303399606	ZSANUAMITDAZAN-CYBMUJFWSA-N	409.338	5.795	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1	303419474	CHFVHKQEYQYOHQ-LJQANCHMSA-N	400.931	5.114	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1	410347729	QERJKICUHOFHKA-UHFFFAOYSA-N	415.518	5.886	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	429372941	PCCXJZYJXLYFJB-RISCZKNCSA-N	417.943	5.426	30	20	HKED	
N#CCCC[C@H](NC(=O)NCC[C@H](c1ccccc1)C(F)(F)F)c1ccccc1	432478714	OJVKGOOWSQMPLT-UXHICEINSA-N	403.448	5.457	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)c(-c2ccncc2)n1	432702909	JYAJTXDTUCOTFA-QPJJXVBHSA-N	401.470	5.292	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433635174	KCMFKXXUDIRRNH-HNNXBMFYSA-N	406.832	5.384	30	20	HKED	
CN(Cc1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1	433667601	RHSHTYRSEFWVJW-AZGAKELHSA-N	424.548	5.627	30	20	HKED	
CC[C@H](c1ccccc1)N(Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)C	435137749	GNMGJKBVOGMHIA-XMMPIXPASA-N	401.558	5.468	30	20	HKED	
N#CCCCCNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	438546057	LWOHKHJPOBESLQ-UHFFFAOYSA-N	402.376	5.185	30	20	HKED	
CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CCC#N)c1ccccc1	438841943	QPJVLPRFPKLIDX-LJQANCHMSA-N	418.310	5.165	30	20	HKED	
COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1	439554894	YVZBVUGVQQJDRA-IBGZPJMESA-N	415.493	5.235	30	20	HKED	
C=CC[C@@H](CC)NC(=O)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	440243544	OKMGMUHGKXUBRP-MRXNPFEDSA-N	423.900	5.090	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1	440393032	TUGHGAXCYBSQPX-SQHAQQRYSA-N	408.501	5.174	30	20	HKED	
C[C@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cccc(C#N)c1	442792593	QTLJXSSHFBVABF-HNNXBMFYSA-N	400.869	6.120	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)CCC(=O)Nc2cccc(C#N)c2)cc1	444225894	NPWOTHKONAUBJV-IBGZPJMESA-N	413.521	5.255	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1C	444264826	ZZHOPNNXRQQHRM-UHFFFAOYSA-N	412.489	5.125	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)NCc3ccc(-c4cccnc4)cc3)c2)c1	464894723	PMXVTAZHJVQERX-UHFFFAOYSA-N	419.484	5.129	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3CCC(F)(F)F)c2)c1	465122178	SDBGGXBXJQQAMX-UHFFFAOYSA-N	424.422	5.884	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1Cl	465662213	MRUZSQFYWJHWDL-MWTRTKDXSA-N	419.912	5.370	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)cc1	466555172	LBVXOIQCEVXQTN-QHCPKHFHSA-N	419.456	5.307	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)cc1	471921565	CZRMPIALSVFPRC-NHCUHLMSSA-N	404.535	5.073	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccccc2NCc2ccc(Cl)cc2)cc1	472520762	RIODOMQCUPJQTF-HXUWFJFHSA-N	414.896	5.145	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	475568043	ZPLBVQSOKPIPGI-UHFFFAOYSA-N	418.541	5.317	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(F)c(Cl)c2F)cc1	476901180	IDKTWVOASXHUJA-UHFFFAOYSA-N	412.823	5.516	30	20	HKED	
Cc1ccc([C@@H](C)N(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(C)c1	479193831	SALUIPPQQUENHF-JSRJAPPDSA-N	405.542	5.268	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1	480101273	SWEDNQOYZREJFI-UHFFFAOYSA-N	403.551	5.530	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Br)cc3F)c2)cc1	482152982	MGEPHNCQUDGLCU-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3csc(-c4cccs4)n3)s2)cc1	487318905	IQGXKHQTAMAYMI-UHFFFAOYSA-N	408.533	5.043	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	494036182	DAYRSTFGWYEQNQ-UHFFFAOYSA-N	404.401	5.030	30	20	HKED	
Cc1cccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)(C)C)c1	494046837	HAFOAWJETOEJHO-UWJYYQICSA-N	423.582	5.089	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1	495047313	OJVDRCXWEAFWHI-PLRHFXSUSA-N	408.517	5.145	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c3c(C)noc3n2)cc1	496096717	YAIKZQGDTWZRBS-KRWDZBQOSA-N	424.485	5.606	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccsc3)s2)c(C(F)(F)F)c1	496315851	UCHHQWBJFCQBBZ-UHFFFAOYSA-N	422.457	5.008	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1	498630324	MDNWIZBTPXQIJX-INIZCTEOSA-N	406.432	5.249	30	20	HKED	
Cc1nc(COc2cccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c2)cs1	499325653	VSPQMTRBKNAVSJ-UHFFFAOYSA-N	405.523	5.205	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C#N)c3ccccc3Cl)c12	499967229	FQYARHZDCMYXDG-IBGZPJMESA-N	423.948	5.266	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccc(F)cc1F	504553186	FJBKCFHXCPDNEF-MRXNPFEDSA-N	420.444	5.073	30	20	HKED	
CCN(Cc1ccccc1)c1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)cc1	504770301	LWFSMFMQTHDMJI-UHFFFAOYSA-N	422.579	5.346	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1	505034984	JCYPZESQTZXIJG-UHFFFAOYSA-N	401.510	5.616	30	20	HKED	
Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	505355117	DLHZEDISOVMBBI-HSZRJFAPSA-N	423.472	5.224	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)cc1	505686686	UDNBRJAKAKMUOF-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCc2ccccc2)nc1)c1nc(-c2ccccc2)cs1	508194182	MPQRMUFNQVHUBB-FQEVSTJZSA-N	411.486	5.274	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](CC(F)(F)F)C1	508917910	LGHIJFLDQOLFEL-KBPBESRZSA-N	414.859	5.036	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CC=C(c3ccccc3Cl)CC2)o1	509726212	FEBPYYQBMKYFTQ-UHFFFAOYSA-N	418.880	5.313	30	20	HKED	
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	509841292	YHECNXOCRJILKZ-ISKFKSNPSA-N	419.544	5.099	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510035676	QTDSHCDTPFRFFD-CQSZACIVSA-N	412.280	5.799	30	20	HKED	
COc1ccccc1-c1nc(CSc2nc(-c3ccccc3)ccc2C#N)cs1	510203777	OMNKGDHEOOXMAH-UHFFFAOYSA-N	415.543	6.045	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4ccc(Br)cc43)ccc21	510933275	ZIHLSUFPOLFONC-HXUWFJFHSA-N	424.342	5.131	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)nc1-c1ccccc1	513425634	ZBJBMADPJFFBSN-NRFANRHFSA-N	417.484	5.382	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc2ccccc2o1	516352173	IOQCISLIRDKZGM-FQEVSTJZSA-N	404.429	5.171	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)nn1-c1ccc(Cl)c(Cl)c1	516437879	COVMQRPEOASNSO-CYBMUJFWSA-N	419.337	5.558	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c(C)c2c1	517349934	XQNLTTHXUCEVDG-QGZVFWFLSA-N	405.498	5.303	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)n1Cc1ccccn1	519127914	UXPSFFKIJLKTAP-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1scnc1C	519188286	KYRXJWBFRJTVSB-SFHVURJKSA-N	411.575	5.012	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2)c1	520197191	ZAGDYJUWLDMXCF-HSZRJFAPSA-N	417.440	5.095	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(c1ccccc1)c1ccccc1	520835359	KXTJHCWYZCMBMC-IBGZPJMESA-N	400.547	5.883	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(-c4ccccc4)no3)cc2)cc1	521366428	LCPCMZGHNWFGPN-UHFFFAOYSA-N	410.433	5.327	30	20	HKED	
CC(C)(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc12	524431757	XZLSIQREIRKIIW-CYBMUJFWSA-N	410.886	5.273	30	20	HKED	
Cc1nc(O)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1-c1ccccc1	531414213	FUXIBJTUULUTRW-UHFFFAOYSA-N	421.456	5.679	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)CCC(=O)Nc2sccc2C#N)cc1	533302842	YJZLZUFYNAAYOS-KRWDZBQOSA-N	419.550	5.317	30	20	HKED	
CC(C)[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1	536813550	CPXGIEWPVAYEPV-CBQOVEMMSA-N	411.933	5.321	30	20	HKED	
CCC(CC)n1nc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C	538445593	JSNCUSLQWWNNQI-UHFFFAOYSA-N	416.525	5.450	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)cc1	539361261	OZDSOIZLFLKZHX-INIZCTEOSA-N	419.912	5.177	30	20	HKED	
Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	541099381	FKIIPKHJBXOAAI-IBGZPJMESA-N	405.889	5.075	30	20	HKED	
C=CCSCCNC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	541907077	FPHAFFIFPFGNLU-UHFFFAOYSA-N	414.918	5.116	30	20	HKED	
N#CCc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1	543141614	USZQEZDEXXIWIH-UHFFFAOYSA-N	417.925	5.341	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1	543563010	FBTYTAJPKLDQNY-XDHUDOTRSA-N	412.493	5.669	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1	546791931	UOMAJUIJYKUTTP-SFHVURJKSA-N	403.309	5.426	30	20	HKED	
O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ncsc1C(F)(F)F	549294601	OJVNTRZAZWXPJE-VIFPVBQESA-N	422.272	5.214	30	20	HKED	
N#C[C@H](C(=O)c1ncsc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	549423214	JYHTVVOKNJBWLU-SNVBAGLBSA-N	413.833	5.429	30	20	HKED	
Cc1cc2c(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)ncnc2s1	551318645	BZMHVTDPRLTFLI-LBPRGKRZSA-N	414.581	5.125	30	20	HKED	
CCN(CC)C(=O)c1ccc(NCc2cccn2Cc2ccccc2C#N)cc1Cl	551451979	BONOXPQJAGHPTJ-UHFFFAOYSA-N	420.944	5.156	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	555645539	HSXQFGBUTJPQNN-UHFFFAOYSA-N	402.519	5.890	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc2ccccc2[nH]1	561206591	UVXALEHAPVSCLF-FOIQADDNSA-N	407.543	5.333	30	20	HKED	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(C#N)c2ccccc2n1	567647235	LEFBDXPHNXSBTA-UHFFFAOYSA-N	406.804	5.115	30	20	HKED	
CC(C)c1ccccc1-n1c(SCc2ccc(C#N)cn2)nnc1-c1cccnc1	570383420	VDXGFZAEHVUCQD-UHFFFAOYSA-N	412.522	5.012	30	20	HKED	
CC1(C#N)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2ccccc2)CC1	578912699	VUOYMANDLKJYLF-UHFFFAOYSA-N	423.923	5.110	30	20	HKED	
N#CC[C@@H](Cc1nc(Cc2c[nH]c3cccc(Br)c23)no1)c1ccccc1	579643958	GZHBTJKWTUJRRU-HNNXBMFYSA-N	421.298	5.144	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@](C)(C#N)C1CCCCC1	583282573	HZGZAGRZAOMZHH-OAQYLSRUSA-N	417.962	5.276	30	20	HKED	
CCC(=O)c1ccc(OCCCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	589854393	ICKHPISPBBKNKX-UHFFFAOYSA-N	410.539	5.279	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1	590116237	RONMUQJFOFVPTF-KRWDZBQOSA-N	411.374	5.897	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)sc2c1	604005454	PJYXHRPRRVEKDL-CQSZACIVSA-N	409.923	5.872	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cs1	608918564	KSRVKUZBLACRBI-UHFFFAOYSA-N	410.568	5.172	30	20	HKED	
COc1cc(Cl)ccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1	609347683	WMTFBJDUEVVOIB-UHFFFAOYSA-N	422.937	5.443	30	20	HKED	
Cc1ccc(C)c(OCCSCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	609387585	VGKHSSMYYXONJT-QGZVFWFLSA-N	414.596	5.306	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1	609403034	LZCWWUBWSPDTGN-LJQANCHMSA-N	422.598	5.067	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609426902	WNIUROYOCNUSOM-UHFFFAOYSA-N	422.488	5.334	30	20	HKED	
C=CCOc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	609507485	NLRNQVLVSBAOLS-UHFFFAOYSA-N	400.503	5.204	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](n3ccnc3)C2)cc1Cl	609554054	RGPWDSGGJCMEKN-FPOVZHCZSA-N	419.916	5.061	30	20	HKED	
CCNC(=O)c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	609723528	ZYNMXEMZYJDJCY-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	609988234	BZZWAICTZOFBRP-UHFFFAOYSA-N	401.466	5.350	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H](C)c3cccc(C#N)c3)s2)cc1	610351082	MNQULMBXEJZGDG-DOTOQJQBSA-N	404.539	5.420	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cs1	611052232	HTVGSBTYIQEDKP-UHFFFAOYSA-N	418.503	5.066	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(C#N)cc1F	611185391	WOUCFCHFAWNMQQ-UHFFFAOYSA-N	405.816	5.291	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346166	FNIKDLGUDAPSKP-JTQLQIEISA-N	413.738	6.322	30	20	HKED	
CCOc1ccc(-c2nc(CC)c(C(=O)N(C)c3ccc(C#N)cc3F)s2)cc1	619283987	ROOOXBXWYLRMOB-UHFFFAOYSA-N	409.486	5.059	30	20	HKED	
N#Cc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl	619762299	IIMFKEIZFKVMEQ-UHFFFAOYSA-N	403.894	5.165	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccco1	670476964	SPYSZEVMCVEJLC-INIZCTEOSA-N	410.543	5.275	30	20	HKED	
CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C	726426424	YKXDQOUWSPERBM-UHFFFAOYSA-N	401.367	5.046	30	20	HKED	
CC(C)CNC(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Cl	726471414	FOWMQROZTHCQKL-UHFFFAOYSA-N	421.353	5.060	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)c1cc(F)ccc1F	730304087	KBWWVSGHVDVRBL-CQSZACIVSA-N	407.372	5.057	30	20	HKED	
CC(C)COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	730923967	JSSDULTVBRSPJD-SFHVURJKSA-N	410.514	5.624	30	20	HKED	
Cc1ncccc1/C=C1/CN([C@@H]2CCCC[C@@H]2C)C/C(=C\c2cccnc2C)C1=O	734094370	CNKRMSKMCAYJEI-GVXANBOASA-N	401.554	5.024	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CSC3CCCC3)c2)c1	741072591	ZAKIPOLRSGXBHK-OAQYLSRUSA-N	423.582	5.865	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12	741638419	BLZODSORSQZQAB-UHFFFAOYSA-N	419.412	5.010	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1	741819461	LVMPSRMRWUAEAR-OAHLLOKOSA-N	421.522	5.449	30	20	HKED	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)/C=C\c1ccccc1C#N)CCO2	741961993	QNJYJTCSCWWUDA-GPFJBENQSA-N	424.500	5.133	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1C(F)(F)F	744016667	QRHRXNQXESOABL-MOJYJUKOSA-N	410.395	5.490	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1nc2cc(C(F)(F)F)ccc2s1	744038606	WXHGQILQEYQRRK-YNEHKIRRSA-N	422.378	5.573	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CCc3cccc(F)c3)n2)cc1	744063212	ZCVVAPTXZLVBQI-QRWLVFNGSA-N	408.498	5.403	30	20	HKED	
COc1cc(C(C)=NNc2ncnc3sc4c(c23)CCC4)ccc1SC(F)F	746487097	RLWNNYAKJNAYEZ-UHFFFAOYSA-N	420.510	5.339	30	20	HKED	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	752238463	QBSKOZVRWPEHAF-FOIQADDNSA-N	407.495	5.046	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCc1cc(C#N)ccc1F)C1CC1	754915434	DVHGZMDMBQAPGE-CYBMUJFWSA-N	405.395	5.151	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cn(C)c4ccccc34)n2)cc1	756243666	LQSOLIFFYBEBDB-FQEVSTJZSA-N	415.518	5.119	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)ccc1OC	756706780	QDHOBDZUWTVKKR-JSGCOSHPSA-N	409.313	5.239	30	20	HKED	
C#CCCCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	758630545	HZLCOPXXEFRDEY-SDXDJHTJSA-N	419.506	5.055	30	20	HKED	
O=C(/C=C\c1cnc(-c2cccs2)s1)c1ccc(N2CCOCC2)cc1Cl	762438162	LAELMFPEYHAUHQ-XQRVVYSFSA-N	416.955	5.258	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(O)cc2OC(C)C)cc1	762695101	IAAKPURYSFYERL-UHFFFAOYSA-N	402.450	5.404	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCCc2sccc21)c1nc2cc(C(F)(F)F)ccc2s1	771578970	SNQVASZSNUMMRO-STQMWFEESA-N	406.454	5.673	30	20	HKED	
C[C@H](Oc1cccc2ccccc12)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	774056057	RGICUSIESFWKPA-WMLDXEAASA-N	405.404	5.228	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccncc1	774217510	GPEQFBWFYKATNL-RTBURBONSA-N	423.866	5.822	30	20	HKED	
C[C@@H](N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(OCC#N)cc1	776154166	PCERGSBSECEUFW-IQGLISFBSA-N	402.563	5.969	30	20	HKED	
C[C@@H](N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccc(OCC#N)cc1	776159261	ITMLXRQBYVNYSF-HXOBKFHXSA-N	421.338	5.792	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(F)c2F)cs1	776267723	FAKISVBGDBTCPN-JXMROGBWSA-N	418.852	5.655	30	20	HKED	
CC(C)Oc1ccc([C@@H]2CCC[C@@H]2Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777117995	PYZUCVSDNVAKSD-DQEYMECFSA-N	419.569	5.055	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)c3ccc([C@H]4CCCOC4)cc3)c2)s1	779918696	XOLOIMSOQZISRE-NRFANRHFSA-N	402.519	5.111	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1	780678078	PRXLYHWNLJRKMS-HRAATJIYSA-N	420.900	5.131	30	20	HKED	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	782754158	UQVWGNLGTRWKQB-DLBZAZTESA-N	415.493	5.061	30	20	HKED	
CC(=O)[C@@H](C)CCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	783070905	YAYHQRNWMNCMRU-LRDDRELGSA-N	423.365	6.079	30	20	HKED	
CC(=O)N1C/C(=C\c2cnc(-c3ccc(Cl)cc3)s2)C(=O)c2ccccc2C1	789148034	MLXXQMKFIFOPKD-LICLKQGHSA-N	408.910	5.092	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)C[C@H](CC#N)c3ccccc3)cccc21	793635096	WJPPPCRNMOSALG-SFHVURJKSA-N	405.498	5.010	30	20	HKED	
Cc1cc2oc(=O)cc(COC(=O)C[C@H](CC#N)c3ccccc3)c2cc1C(C)C	795981096	LIUQYBOHUROVKB-IBGZPJMESA-N	403.478	5.356	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	799220130	HAOHLHUVSKZTOE-MQMHXKEQSA-N	408.260	5.103	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(C#N)ccc2Cl)cc1	808779258	CEVJTSXUIPGERV-CYBMUJFWSA-N	400.862	5.017	30	20	HKED	
C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc(OC)cc2F)cc1OC	810203831	SPKHFIGHWAXEPT-YVMONPNESA-N	421.262	5.066	30	20	HKED	
COCc1ccccc1/C=C(/C)C=Nn1cnnc1SCc1ccc(Cl)cc1	814216358	JJXDTSFCEXVNMA-ALKNRMDWSA-N	412.946	5.308	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2cnn(C(C)C)c2n1	915088082	ZEZDFXADQYQWFA-JOCHJYFZSA-N	409.493	5.228	30	20	HKED	
O=C(O)c1cc(NN=Cc2sc(Oc3ccccc3)nc2Cl)ccc1Cl	915938652	CWCPGBIUODOERD-UHFFFAOYSA-N	408.266	5.386	30	20	HKED	
Cc1ccccc1SCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917042465	FJZXDAAVRMQNHN-CYBMUJFWSA-N	406.454	5.592	30	20	HKED	
CCN(C(=O)Cc1ccc(NCCCOc2ccc(C#N)cc2)cc1)c1ccccc1	917825405	ODBZQHXHYXUARC-UHFFFAOYSA-N	413.521	5.035	30	20	HKED	
CC(C)CN(CCC#N)Cn1nc(-c2ccccc2)n([C@H](C)c2ccccc2)c1=S	919944733	MYSKMNSFJNKKKY-HXUWFJFHSA-N	419.598	5.520	30	20	HKED	
Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	920110498	MNCFHSLBXXTUCF-HXUWFJFHSA-N	424.953	6.198	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4Cl)CCC3)cc2)C1	1785810492	VINMCQLBHXHKRF-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1823753856	KMYTTWZGZSOPGX-QFIPXVFZSA-N	402.623	5.345	30	20	HKED	
N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc23)cc1	5318739	PZDSWUWYNPAZCE-UHFFFAOYSA-N	410.502	5.094	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1	9966332	XPFCCZHAAWTRKY-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccccc2C)cc1	11165908	VMBYPQQNHPSXLD-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cccc(Br)c1	14091532	ISCVTVLZPSMPIS-UHFFFAOYSA-N	400.345	5.110	30	20	HKED	
COc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	31436443	FCLJTQMEZKZQAJ-INIZCTEOSA-N	420.896	5.290	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)cc1	46346495	RCJHASQYTRPVQJ-UHFFFAOYSA-N	410.395	5.603	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(COCCOc2ccccc2)c1)c1ccc(C#N)cc1	47606502	YLKWWBDQXDRRIR-LJQANCHMSA-N	415.493	5.037	30	20	HKED	
COc1ccccc1-c1nc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cs1	58616301	NEPSLNODXZGEGL-LBPRGKRZSA-N	409.536	5.129	30	20	HKED	
CCN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H](C)c1ccc(C#N)cc1	60477432	NQOOZYDZSBIROD-CYBMUJFWSA-N	409.839	5.252	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(C#N)cc4)nc(O)c23)cc1	206098917	GLZABJMAHSPXSH-VCHYOVAHSA-N	403.894	5.981	30	20	HKED	
Cc1c(Cl)cccc1-n1ccnc1SCc1nnc(-c2ccc(C#N)cc2)o1	303863415	GWSISJMYUIOXCU-UHFFFAOYSA-N	407.886	5.048	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCCC23CCOCC3)cc1Cl	409809957	ZLLOINDZKIQEBZ-OAQYLSRUSA-N	410.901	5.083	30	20	HKED	
CC[C@H](CC#N)NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1	427474603	UHTUFNBEFBTCFX-VJSYINPZSA-N	405.523	5.044	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cnn([C@H](C)C2CC2)c1	429461985	OHVHYDQCIVYFME-QGZVFWFLSA-N	415.497	5.257	30	20	HKED	
CC(C)Nc1ccc(Br)cc1NC(=O)c1cccc(SCC#N)c1	431333177	QELVWCIVDQPVFW-UHFFFAOYSA-N	404.333	5.137	30	20	HKED	
CC(C)[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCS1	437769842	FBZNRSYYPMQRIO-FPOVZHCZSA-N	413.974	5.601	30	20	HKED	
CCCN(C(=O)c1cc(C#N)oc1C)c1nc(-c2ccc(Cl)cc2Cl)cs1	439143266	BERYXEPODJYVAU-UHFFFAOYSA-N	420.321	5.947	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCc2c([nH]c3c(F)cccc23)C1	439512704	MDIWFBVMGRYQDH-HNNXBMFYSA-N	422.529	5.682	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1	440740096	VHULEZULKGAMAF-OAQYLSRUSA-N	422.916	5.001	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc12	442672108	NBQBDKFTFLOHFM-HNNXBMFYSA-N	406.536	5.372	30	20	HKED	
Fc1ccccc1-c1noc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)n1	444619008	KZQLBQOZDRYUGH-HNNXBMFYSA-N	419.300	5.288	30	20	HKED	
C=CC[C@@H]1N(C(=O)Nc2cccc(CSC3CCOCC3)c2)CCCC1(C)C	444896193	LUVZCRHJNIJDRW-NRFANRHFSA-N	402.604	5.697	30	20	HKED	
C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)Nc2ccccc2)cc1	461903383	PUKOIVYJKQVFMV-MSOLQXFVSA-N	412.493	5.183	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(c3ccccc3F)C2)cc1	463551408	PDZHKGSBMCBZFQ-UHFFFAOYSA-N	417.440	5.130	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Br)ccc1Cl	464942525	QQOXECLAYGZPGM-AEFFLSMTSA-N	403.707	5.014	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1Cl	466074092	DQBCNZXAYBMVIP-QFIPXVFZSA-N	405.885	5.326	30	20	HKED	
N#C[C@H](C(=O)c1ccoc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	467191130	NBXXCCKIMISUIG-CQSZACIVSA-N	403.290	6.077	30	20	HKED	
C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cn(CCCC#N)c2ccccc12	469806115	CITWVTXTKQJISH-UZUQRXQVSA-N	421.928	5.201	30	20	HKED	
CC(C)CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CCCc2cccnc21	469825742	BCPHBKCWARTZOV-DEOSSOPVSA-N	414.553	5.516	30	20	HKED	
Cc1c(NC(=O)C[C@H](CC#N)c2ccccc2)cccc1-c1nnc2n1CCCCC2	474898708	YCLSAUMHJXQDFJ-FQEVSTJZSA-N	413.525	5.006	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	475565842	XJQSOHBGFXWYNO-HSZRJFAPSA-N	406.526	5.583	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccccc1	476749281	RRWHKCFVNZLIEC-GHTZIAJQSA-N	400.444	5.847	30	20	HKED	
N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	479959108	FKRZZEQJCWZQNV-JKSUJKDBSA-N	406.429	5.333	30	20	HKED	
CC(C)CN(C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@@H]1CCCc2cccnc21	480810898	GSQFUUQWKZFXQX-OAQYLSRUSA-N	406.530	5.308	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(N2CCc3ccccc3C2)nc1	481928091	QONWBWFJBYFPBX-SANMLTNESA-N	408.549	5.073	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	483432818	RLORMPGDWGZQNH-CYBMUJFWSA-N	419.790	5.461	30	20	HKED	
CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(C(C)(C)C#N)cc2)n1	483811375	BQQTWXGUYYEOQW-UHFFFAOYSA-N	422.916	5.642	30	20	HKED	
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccc(C#N)s2)ccc1Cl	486747324	TTWGNNCKKCLOCF-UHFFFAOYSA-N	423.925	5.188	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1	489070074	GPPCLCBGJVAWGK-FQEVSTJZSA-N	406.551	5.321	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)o2)cc1	489785122	MKSISEJQISWSKH-UHFFFAOYSA-N	405.479	5.066	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2ccc(CC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1	492022981	QNEBNZZEIHZGOL-QFIPXVFZSA-N	424.422	5.299	30	20	HKED	
CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494237717	MNYOHERTYHSXCB-YADARESESA-N	405.542	5.764	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	494548957	OTLAIUCAIBPDDG-INIZCTEOSA-N	419.447	5.574	30	20	HKED	
Cc1c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)sc2ccc(C#N)cc12	497705274	FRFSDMFRHHNHBP-HKUYNNGSSA-N	414.889	5.134	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	499808798	FXFXGMILSNAFJP-MRXNPFEDSA-N	402.306	5.420	30	20	HKED	
N#C[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1c(Cl)cccc1Cl	505540096	LHYUGQZLBYDYPX-MRXNPFEDSA-N	420.683	5.225	30	20	HKED	
N#C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1	505976220	KVHGZYRKJHCWBH-INIZCTEOSA-N	403.429	5.019	30	20	HKED	
O=C(c1ccncc1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	506907342	CGRQUHJPRJRONF-UHFFFAOYSA-N	420.328	5.220	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2CCC(F)(F)F)ccc1OC(F)(F)F	508239617	UKDQBRNHNSGANU-UHFFFAOYSA-N	402.294	5.204	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	510842874	MAGPLSRRJSZNPI-LQWHRVPQSA-N	409.555	5.370	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1	511145098	TYPFMPBQVAJWNF-HXUWFJFHSA-N	404.491	5.097	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C(C)C	511840488	VVDHJCVGWLEVJW-UHFFFAOYSA-N	401.466	5.565	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1	512833853	OPKICJDEVBHMQC-MRXNPFEDSA-N	420.440	5.213	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	518164445	CIADLGSCUDVCOE-DDUZABMNSA-N	419.472	5.635	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(CN3CCCC3)cc2)c1	518769675	PFMRHQOJWUPGGS-UHFFFAOYSA-N	411.549	5.023	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3Cl)cc2)nc1	518924834	ICJBOGYLDVIALO-HXUWFJFHSA-N	417.896	5.246	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(Br)cccc2[nH]1	521329903	SQIUJUZYVAENGR-GFCCVEGCSA-N	414.328	5.577	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C(F)(F)F)cc1	521731319	SOKCZDJMHRTVEE-CQSZACIVSA-N	424.513	5.829	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1	523755349	RGBCAMYJKMGJSQ-UHFFFAOYSA-N	422.863	5.619	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1	523951889	IMVVOKYMQBPBOR-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(COC2CCCC2)cc1	525348761	YLGSLGGUHJCQCG-QGZVFWFLSA-N	409.555	6.184	30	20	HKED	
Fc1cccc(C2(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCOCC2)c1	533253363	HLGWJJZJPAAIMO-UHFFFAOYSA-N	421.356	5.659	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1	535419422	JLTSNHZFHWDLFA-SFHVURJKSA-N	400.478	5.246	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1	535624233	NGWXUUKBJFHHJS-JOCHJYFZSA-N	412.489	5.088	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nc(-c2ccccc2)cs1	536203849	KHLMMTWBULFEKU-OAQYLSRUSA-N	423.497	5.552	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1	540252100	KJIQJJHVZGZMIP-XZOQPEGZSA-N	420.871	5.278	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1	542034076	ZQFMVSUDFIENTQ-LJQANCHMSA-N	405.889	5.075	30	20	HKED	
Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2c1	543447360	DRUDKUBQZIODMU-LBPRGKRZSA-N	403.301	5.574	30	20	HKED	
CC(C)(C)c1nc(Cc2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)cs1	545097864	PJYXSVDRCDCLBR-MDZDMXLPSA-N	417.538	5.453	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2c1	545311850	OEGIABRLIPZGPQ-SJORKVTESA-N	404.535	5.842	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1OC	553162595	DQBGMBJQGDEHFB-FQEVSTJZSA-N	420.896	5.573	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)COc1c(Cl)cc(Cl)c2cccnc12	566825103	FGHLLXPECMMNSP-UHFFFAOYSA-N	406.656	5.084	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1	567033812	YLPPZTGRNNSHTM-HSZRJFAPSA-N	418.566	5.661	30	20	HKED	
C=C(C)Cn1c(SCc2nc([C@@H](C)c3ccccc3C)no2)nnc1-c1ccco1	577908878	PONIFHDVKYRSMB-INIZCTEOSA-N	421.526	5.250	30	20	HKED	
CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	581384699	ICWUCBWYHNLCKQ-XMMPIXPASA-N	401.485	5.467	30	20	HKED	
CC(C)(C)c1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1	588348967	KPQZEZZMCBSROU-JTQLQIEISA-N	409.458	5.559	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)n1	602756518	SVZUTEPFUOLTTP-QGZVFWFLSA-N	407.461	5.060	30	20	HKED	
CCCN1Cc2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2C1	608949630	NZJSYPDLNFSETB-UHFFFAOYSA-N	411.505	5.115	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3sccc3Br)cc2)c1	609063980	OMQHKVKBWRKACT-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
N#C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1	609172413	ZSNJBMIXAKQPBS-HSZRJFAPSA-N	420.509	5.019	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)c2)cc1	609208597	WUELFMVAEQINIG-DEOSSOPVSA-N	409.445	5.855	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F	609377292	SFYQHNWRLWRJRU-CYBMUJFWSA-N	415.440	5.758	30	20	HKED	
Cc1ccc(-c2ncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)c(C)c1	609377484	GPVPIHUHZKJUFN-HNNXBMFYSA-N	407.564	5.931	30	20	HKED	
CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC	609378281	AIHDQGJTWXGXIK-UHFFFAOYSA-N	424.444	5.371	30	20	HKED	
COc1ccc([C@H](NC(=O)CCCCOc2cccc(C#N)c2)c2ccccc2)cc1	609497554	IFODKXMWBALSER-AREMUKBSSA-N	414.505	5.022	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccccc2COc2ccccc2)c1	609501107	OAFMFYPJNGHFDD-UHFFFAOYSA-N	400.478	5.325	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Br)cc1	609773083	VJOPNPNLCDZRTO-CQSZACIVSA-N	418.360	5.208	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@H](SC)C2)cc1	609773670	QJLXCGJNLROPSS-MJGOQNOKSA-N	411.527	5.155	30	20	HKED	
N#C[C@H](NC(=O)c1cccc(Oc2nccs2)c1)c1ccc(Cl)c(Cl)c1	609911733	RTERHCIGMHMUNB-INIZCTEOSA-N	404.278	5.237	30	20	HKED	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	610015365	GEYYFHCWRGANAA-OAHLLOKOSA-N	402.429	5.036	30	20	HKED	
CC(C)n1c(SCc2ccnc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl	610957013	JVOUHXFMKIRGHT-UHFFFAOYSA-N	404.326	5.392	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1	611376298	TUOWFAFLFUILSR-HUUCEWRRSA-N	421.488	5.389	30	20	HKED	
COc1ccc(-c2nc(CNc3ccn(-c4ccc(C#N)cc4Cl)n3)cs2)cc1	611765310	SMDDWGUITXUDLX-UHFFFAOYSA-N	421.913	5.142	30	20	HKED	
CN(Cc1ccccc1NC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccccc1	619801828	CFUFSUMLOZLVOH-UHFFFAOYSA-N	404.901	5.170	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc2ccccc2n1	676103754	HGMFSBYEJKJPKK-OAHLLOKOSA-N	416.893	5.319	30	20	HKED	
C#Cc1cccc(NC(=S)N(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)c1	726456082	CSFPQEWEIFSJJO-UHFFFAOYSA-N	420.559	5.213	30	20	HKED	
FC(F)(F)COc1cccc(CON=Cc2cccc(OCc3ccncc3)c2)c1	727433662	AZOPKGINWPKXCJ-UHFFFAOYSA-N	416.399	5.152	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(/C)c3ccccc3Cl)n2)cc1	727633128	VYROYEZJCVYOSR-DEQJRXDXSA-N	408.910	5.752	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1	731990483	IEFGMAMEUXRNRY-UHFFFAOYSA-N	417.465	5.186	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1	733259033	OWZVTOBBTPILJY-INIZCTEOSA-N	420.296	5.335	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2csc3ccccc23)ccc1OC	733649789	YXJYHHOVFIVZGW-NVXWUHKLSA-N	423.538	5.151	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1nc(-c2c(F)cccc2F)cs1	734966215	VMDDGSBNTKTZCW-IJLUTSLNSA-N	416.399	5.346	30	20	HKED	
Cc1nc2ccccc2c(C)c1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	739595474	JCXANWFSFJAORR-UHFFFAOYSA-N	411.530	5.311	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)/C=C\c2cccc(OCCC(=O)O)c2)cc1	741469187	KDPXJWBFJCYJEN-ZROIWOOFSA-N	402.446	5.112	30	20	HKED	
COc1ccccc1-c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1	741472333	VPRBZMXMXSJFME-MDWZMJQESA-N	417.480	5.234	30	20	HKED	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)/C=C\c1ccccc1C#N)CCO2	741962003	QNJYJTCSCWWUDA-QSRJBLIVSA-N	424.500	5.133	30	20	HKED	
COc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2n1	743092688	AOOYBUFFUQJOMX-QHCPKHFHSA-N	422.488	5.221	30	20	HKED	
CC(=Nn1cnnc1-c1ccccc1)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743434078	RKIPZIALVMSUOZ-UHFFFAOYSA-N	411.296	5.018	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(F)cc1	743447578	PVCQICORQJHBRM-KUCQQTCKSA-N	404.388	5.734	30	20	HKED	
CCOc1cccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c1	743537852	AOXXGRIPFQBNST-XFXZXTDPSA-N	410.470	5.262	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036629	FIJNWUYZFSASBH-GWKQRERASA-N	412.436	6.109	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@H](C)c2nc(-c3ccccc3C)no2)cc1OC	744445546	QLXVJVGXWJYUAY-CQSZACIVSA-N	415.877	5.217	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)C3(c4cccc(Cl)c4)CCCCC3)o2)cc1	744639489	WTVAGHZGLMUACG-UHFFFAOYSA-N	421.884	5.207	30	20	HKED	
CC(=NNc1ccc(F)cc1Br)c1c(C)nn(-c2ccccc2)c1C	746490420	WHZNRIBQTLWWKH-UHFFFAOYSA-N	401.283	5.227	30	20	HKED	
C#CC[C@H](OC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccccn1	747115050	XAKFZTUDZQLOTM-INIZCTEOSA-N	402.397	5.145	30	20	HKED	
C=CCc1cc(CNCc2c(-c3ccccc3)nc3sccn23)cc(OC)c1OC	747853352	RAABMUWAFTWKJP-UHFFFAOYSA-N	419.550	5.098	30	20	HKED	
CCn1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc21	748489309	CGFAOHXCRDLNPU-HXUWFJFHSA-N	415.518	5.212	30	20	HKED	
C[C@@H](OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(C#N)cc1	748677042	HDEVMRPMROKRLA-QGZVFWFLSA-N	424.456	5.404	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc(C)nc21	751083371	IPCYLWIUUIXCCM-MBSDFSHPSA-N	423.520	5.619	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NC(=O)N4CCC[C@@](C)(C#N)C4)cc3C2)cc1	752772941	NDEYVIXIIANLSU-VWLOTQADSA-N	402.542	5.488	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cnc(-c2ccncc2)s1	753143717	HJRPYGAAHCHMQA-SREVYHEPSA-N	407.495	5.672	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccc4ccccc4c3)n2)cc1	753393953	AZJVXFGYONMVLM-ZHRRBRCNSA-N	412.514	5.952	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1OC(F)F	753400475	PZSZXQSRZJBIPL-BMGYJQCNSA-N	418.852	5.831	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3c(Cl)cccc3C2=O)cs1	758039273	IYQZXGSULJAAMK-VBKFSLOCSA-N	422.937	6.002	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(CC#N)cc2)c(C(F)(F)F)c1	759867338	VDZGLJDJNFJZRB-UHFFFAOYSA-N	419.403	5.371	30	20	HKED	
Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1	767762268	HPRYYECXGDXDKB-FPOVZHCZSA-N	422.598	5.380	30	20	HKED	
C#CCCCCCC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	769398756	JQVOLMDSHWXJIL-KRWDZBQOSA-N	421.381	5.208	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(F)c(C#N)c3)s2)cc1	770573894	VTFXVETUAAGBDP-MHWRWJLKSA-N	412.877	5.100	30	20	HKED	
CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1	775486585	CWHIVPHJSJCLEM-GOTSBHOMSA-N	415.493	5.103	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](CC)c2cc(F)cc(Br)c2)c1	776163687	CLLCDTSKFKROQI-UYAOXDASSA-N	405.311	5.510	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1	781034396	KDDAXQQXUPSMRO-KRWDZBQOSA-N	411.461	5.290	30	20	HKED	
O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCC=CO1	783635279	FBFZXTIGHXPBEU-NWDGAFQWSA-N	421.259	5.137	30	20	HKED	
CCCc1c(NC(=S)Nc2ccc3ccccc3c2)cnn1-c1cccc(C#N)c1	783954076	RPEOARGEDPUNQI-UHFFFAOYSA-N	411.534	5.659	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1	784642472	HXEPXMGHXYSKER-UHFFFAOYSA-N	423.438	5.127	30	20	HKED	
N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nccc2ccccc12	792097987	ZRAWPEVKFVCCAI-IBGZPJMESA-N	401.853	5.352	30	20	HKED	
COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	794145930	MGWOVRLHLABXIC-XZOQPEGZSA-N	414.530	5.145	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2C[C@H](C)CC[C@H]2c2ccccc2)c1=S	795700328	JDDOULVYLZEBLX-NQIIRXRSSA-N	405.571	5.093	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CC(c4ccc(F)cc4)C3)n2)cc1	796776500	XYJKBHCYGNFDSL-AFMYVXGZSA-N	401.466	5.191	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1	807467928	KJTRCQATYSXZBH-RUZDIDTESA-N	409.533	5.057	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)cc1	809872919	RLBDTRHZHAQHFE-RPBOFIJWSA-N	422.532	5.011	30	20	HKED	
C[C@@H](SCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1nc2ccccc2[nH]1	912630273	XYSVEXXYEXCBCI-MRXNPFEDSA-N	413.502	5.501	30	20	HKED	
C=CCn1c(SCc2cc(F)ccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	915792019	FDIWCPHUWHKVEY-UHFFFAOYSA-N	404.854	5.124	30	20	HKED	
Cc1cccc(-n2c(=S)n(CN(CCC#N)Cc3cccnc3)c3ccccc32)c1	915794931	ZXZZDHCEQJSHCF-UHFFFAOYSA-N	413.550	5.238	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2ccccc2c1	916912507	ZUIWISVDKWWSHT-QFIPXVFZSA-N	406.441	5.593	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2ccc(F)cc2)s1	916936402	JJTWIBIZTYNWKI-CQSZACIVSA-N	416.836	5.308	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997109	QYFNYMOWDQVBGT-IEXSPKMKSA-N	417.292	6.146	30	20	HKED	
Cc1nn(C)cc1C(=O)/C=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl	917520680	WUIIIDNMQKQSCI-BQYQJAHWSA-N	423.731	5.138	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3cccc(Cl)c3)n2)cc1	920139830	ZAJJIVLKEPIBRH-UGSOOPFHSA-N	412.898	5.116	30	20	HKED	
CC(C)Oc1ccccc1C=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1	920399248	OQNDPKUEQUNOEG-UHFFFAOYSA-N	406.269	5.381	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ccccc34)cc2)CCC1	1788891110	VSNMVGYXBUBXIZ-SFHVURJKSA-N	413.521	5.195	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1	1823702095	UXDGRLDBZPLXTE-XMMPIXPASA-N	408.586	5.010	30	20	HKED	
C=CCn1c(SCC(=O)Nc2cccc(CC)c2)nnc1-c1ccc(Cl)cc1	6071179	ZTZBRPBWSYNJKH-UHFFFAOYSA-N	412.946	5.078	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)cc1F	14872490	DWVRTOFJZBYVSS-UHFFFAOYSA-O	421.561	5.770	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(CC#N)cc3)cc12	16495797	YEGXNNHYAPUFBE-UHFFFAOYSA-N	420.925	5.426	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccccc1	21755321	BDTFPQVDBXRJPP-WMZOPIPTSA-N	424.595	5.037	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(C)cc1C	22729491	CABZJQLFFPKKLV-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2cccc(OCCCC#N)c2)cc1OC	55568247	QDDOVKXGVJLJFN-UHFFFAOYSA-N	402.878	5.072	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cc1	61155552	PSNXEYKVRNDIOA-FQEVSTJZSA-N	423.973	5.056	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1Oc1cccc(F)c1	65807921	JIZNFGSHDXUCEK-UHFFFAOYSA-N	420.440	5.296	30	20	HKED	
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	66037342	XRNRCJYSHVOMEE-QMHKHESXSA-N	411.461	5.197	30	20	HKED	
COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCCCC#N)c1	195534688	QUSBVSVTZQKQKO-JCMHNJIXSA-N	419.550	5.599	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(Br)s2)c1	236702203	GKITVFZLHNIKFJ-UHFFFAOYSA-N	413.340	5.251	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(N(C)CCC#N)cc3)s2)cc1	237476810	ZKJNDTOEHJFMRP-KRWDZBQOSA-N	420.582	5.328	30	20	HKED	
N#Cc1ccc2ncc(CNCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2c1	237725007	FPTYZKCHNLKHBF-UHFFFAOYSA-N	422.410	5.307	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)n1	248158552	NBPZPSSRPWHBIG-HXUWFJFHSA-N	422.941	5.399	30	20	HKED	
N#Cc1nc(Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)ccc1Cl	301495933	AZYYSYMVWANELB-UHFFFAOYSA-N	421.888	5.204	30	20	HKED	
COc1ccc(NC(=O)[C@H](Nc2cccc(OCCCC#N)c2)c2ccccc2)cc1	302973603	OOGQANGMUUTYNL-XMMPIXPASA-N	415.493	5.170	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1	303101132	HTBBTRFDATZYRD-QGZVFWFLSA-N	402.450	5.074	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3ccccc3Cl)n2)cc1	303414932	VZUMHPAXLZGNNR-UHFFFAOYSA-N	411.914	5.423	30	20	HKED	
COc1ccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1	410134737	JWRGDWTXKSJTBB-UHFFFAOYSA-N	410.289	5.194	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1	410419222	PCUJOZYTDVUBPW-UHFFFAOYSA-N	415.356	5.085	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Sc3ccccc3Cl)nn2)n1	426175155	RHOTXQKIVRPHFS-LBPRGKRZSA-N	414.943	5.351	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(-c3ncco3)c2C)c1	427454713	CTSXTHOEGBTCIX-LJQANCHMSA-N	402.498	5.014	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)c1C	428749522	CBYLQUOCRQRGIS-UHFFFAOYSA-N	423.557	5.252	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1ccc(C)cc1)c1cccnc1	430910354	SWFMBQODYKAMHB-HSZRJFAPSA-N	401.535	5.257	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c(Cl)cc(F)cc3Cl)cc2)c1	431834625	CETIDXKTKARMJA-UHFFFAOYSA-N	401.224	6.049	30	20	HKED	
N#Cc1cc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)ccc1OCC(F)(F)F	432721746	ZUGAZIOETWAOFP-LJQANCHMSA-N	415.415	5.258	30	20	HKED	
COc1ccc(C#N)cc1CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1	435142325	VEUKWJLOZDZAPH-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cs1	435445293	VWJCCEQYUKOPFU-UHFFFAOYSA-N	423.563	5.655	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1c[nH]c2ccc(Cl)cc12	438061274	YZSLTKALINARAT-AWEZNQCLSA-N	412.946	5.580	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccnc2)cc1F	438663473	HVUPBNKDCGOFEM-FQEVSTJZSA-N	402.429	5.254	30	20	HKED	
CCCc1c(NC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cnn1-c1cccc(C#N)c1	439684045	VWWWKTMOMBCPFC-NQIIRXRSSA-N	413.525	5.106	30	20	HKED	
COc1ccc(CNc2cccc(-c3ncc4n3CCCC4)c2)cc1OCCCC#N	444008890	AKZLYIWJQCSKFM-UHFFFAOYSA-N	416.525	5.190	30	20	HKED	
C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	460564791	GGEZKMJJHOXDHU-LJQANCHMSA-N	419.554	5.184	30	20	HKED	
CCCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(F)cc1)c1cccnc1	464053046	RAHGQRXXIWVPLZ-KOSHJBKYSA-N	401.485	5.224	30	20	HKED	
N#CCc1ccc(NC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	464618973	NSHVFBRCJWIZPH-GOSISDBHSA-N	406.486	5.214	30	20	HKED	
C=C[C@@H](CC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1	464731658	VVJJAXWLLZXESX-AWEZNQCLSA-N	403.379	5.329	30	20	HKED	
Cc1ccccc1-n1c(SCCCSCC#N)nnc1-c1c[nH]c2ccccc12	466616906	OPOUERDRTMUULV-UHFFFAOYSA-N	419.579	5.463	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	468192335	OVRHUHHOBGYTPK-NXEZZACHSA-N	423.284	5.207	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl	471374740	RMGYPWTZXKASFP-UHFFFAOYSA-N	405.285	5.338	30	20	HKED	
CC(C)Oc1cc(Br)cc(C(=O)Nc2ccccc2SCCC#N)c1	471931959	FIMBOHWVUIAPNF-UHFFFAOYSA-N	419.344	5.494	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1	475105524	DCXXGKIYPRUGJL-INIZCTEOSA-N	407.857	5.211	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1	475554259	XKOUWKJZZQHCOZ-KRWDZBQOSA-N	405.542	5.770	30	20	HKED	
Fc1cccc(F)c1-c1csc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)n1	481059776	MYOMIRYTAQPWLK-KRWDZBQOSA-N	420.353	5.760	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(s2)CCOC3)cc1Cl	482815863	YDJJZHJDMXHPQP-SFHVURJKSA-N	408.910	5.382	30	20	HKED	
CC[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cc(F)cc(Br)c1	485646757	YQJOLUHONRMLTE-QGZVFWFLSA-N	407.308	5.085	30	20	HKED	
COc1cccc([C@@H](CNc2ccc(C#N)c(C)n2)c2c[nH]c3ccccc23)c1OC	487928481	APYZJGHMIPPWEE-OAQYLSRUSA-N	412.493	5.004	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1ccccc1	488351699	RKHVPSFGMGZEKL-HSZRJFAPSA-N	421.518	5.181	30	20	HKED	
COc1ccc(CNc2nnc(SCc3ccccc3C(C)(C)C#N)s2)cc1	488573399	CGRPKVLAFDHQSG-UHFFFAOYSA-N	410.568	5.252	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1c[nH]c(C#N)c1	489825544	MVYKGRVBGUCQBR-UHFFFAOYSA-N	401.445	5.184	30	20	HKED	
O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	490956910	WYPPVZJVSKIABN-GFCCVEGCSA-N	411.292	5.450	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	492236836	MLKCDFVCRYRBPA-UHFFFAOYSA-N	417.465	5.215	30	20	HKED	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1	494039326	SNRAITCRGYMXDQ-SFHVURJKSA-N	405.523	6.081	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(OC(F)(F)F)cc1	500244239	HCLPUUBCQAXGMW-UHFFFAOYSA-N	411.273	5.308	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	501015578	BNTKFVYEVLLVKW-RBUKOAKNSA-N	410.395	5.507	30	20	HKED	
CCc1ccccc1OCCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	505307634	HOWXSKHUXOPEGC-UHFFFAOYSA-N	401.466	5.024	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510108998	IGXCHAZPDNJABU-UHFFFAOYSA-N	423.925	5.062	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c1C	510174260	XOIGSZXNTYPTDW-INIZCTEOSA-N	403.507	5.131	30	20	HKED	
N#C[C@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc2ccccc2s1	513050769	HTKKFAKHLMQRFT-LJQANCHMSA-N	402.450	5.504	30	20	HKED	
COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)NCC(C)(C)CCC#N	513130648	WYTSJRFTRBRBEY-HXUWFJFHSA-N	407.558	5.168	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Cl)c(Cl)c1	514723364	KENHUKBCCKPAIW-UHFFFAOYSA-N	411.402	5.092	30	20	HKED	
CCN(CCc1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	521220821	OAXHZIKIGYUDLT-OAQYLSRUSA-N	423.969	6.153	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@H]2c3ccccc3C[C@H]2C)cc1OC	521377240	BIBGZBYROAGOQK-JLTOFOAXSA-N	402.332	5.046	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	521734747	RJYZSRJKXCGPSZ-UHFFFAOYSA-N	413.490	5.852	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	523861658	CYHWUJPXUBBIAL-UHFFFAOYSA-N	419.484	5.760	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2cccnc2)C2CC2)c1	523887328	DHTMHKHOGRQGGV-UHFFFAOYSA-N	403.869	5.204	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1ccncc1	524441051	PKVHLPSFLDQVBQ-GOSISDBHSA-N	400.482	5.066	30	20	HKED	
CCOc1ccc(N(CC)C(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1	524491054	QJFWAXJTGKWCPM-UHFFFAOYSA-N	400.478	5.203	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)Cc1cccs1	524541568	CLIGPIIMJGOZQJ-QGZVFWFLSA-N	405.523	5.260	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4c(Cl)cccc4C3)c2)cc1	525343890	FYYKCDUDDSKMLS-UHFFFAOYSA-N	403.869	5.594	30	20	HKED	
CCCOc1c(Br)cc(CN[C@@H](CCC#N)c2ccccc2)cc1OC	533360066	FXNLGGDVAWUCCE-IBGZPJMESA-N	417.347	5.381	30	20	HKED	
Cc1nc(NC(=O)c2cccc(-c3c(F)cccc3F)c2)sc1SCC#N	533836588	IKYIEEUTCDMHSQ-UHFFFAOYSA-N	401.463	5.265	30	20	HKED	
COc1cc(CSCCc2c(C)noc2C)ccc1OCc1cccc(C#N)c1	534402384	BNZCUEDZFUSBSB-UHFFFAOYSA-N	408.523	5.227	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(Oc4ccccc4Cl)nc3)CC2)cc1	535773555	TVWAYLDLWHZIMP-UHFFFAOYSA-N	415.880	5.328	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(F)c1	538515593	GRQDIJPDKXQEIY-UHFFFAOYSA-N	422.843	5.385	30	20	HKED	
N#Cc1c(NC(=O)CCN[C@@H](CC(F)(F)F)c2ccccc2)sc2c1CCCC2	539281440	SGAPUMWYYZZYEY-KRWDZBQOSA-N	421.488	5.110	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1ccc(C(F)(F)F)cc1	539316010	BGBOSGMTCSOTFI-RTBURBONSA-N	420.479	5.599	30	20	HKED	
COc1ccc(-c2csc(CNC3CCN(Cc4ccc(C#N)cc4)CC3)c2)cc1	540595080	MYVDJWLZZBSZLT-UHFFFAOYSA-N	417.578	5.050	30	20	HKED	
C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	541148700	BEFSXYNUUUIIMC-MUEKUWCCSA-N	411.505	5.116	30	20	HKED	
C[C@H](NC(=O)c1cn(C)nc1-c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1	541998742	FPLGUEQYECBKQY-INIZCTEOSA-N	412.518	5.178	30	20	HKED	
Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542989558	MWCJUWZUTIMSCO-INIZCTEOSA-N	408.461	5.075	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	543327771	ZCUDCYQOCYOCMH-DJJJIMSYSA-N	403.404	5.201	30	20	HKED	
Cc1cnc([C@@H](C)CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	544534129	HSGJNSMBWGZKJG-INIZCTEOSA-N	420.538	5.022	30	20	HKED	
Cc1ccc(-c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)c(N2CCCC2)n1	545661242	IAKPLZYQCUNSNQ-ZRDIBKRKSA-N	424.508	5.079	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCCCOc1ccc(Cl)cc1	553403976	JJFUXBZLGHRUFC-MRXNPFEDSA-N	417.962	5.572	30	20	HKED	
CC(C)c1nc2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)ccc2o1	558368781	AJIBJCTYMDTNGK-UHFFFAOYSA-N	422.460	5.037	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)cc2)ccn1	576747280	NLFFYACVVOBMTJ-GJZGRUSLSA-N	418.419	5.236	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	588151668	GJCPJOIRGALHTG-KRWDZBQOSA-N	408.461	5.111	30	20	HKED	
N#C[C@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1	589018911	FIXCWCGVELESMB-QGZVFWFLSA-N	419.506	5.487	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccc(OCc2ccccn2)c1	589504910	ZUCFFDFCQDFIEZ-MRXNPFEDSA-N	411.427	5.402	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)o2)cc1	590613432	PUETYRMHGSWSMJ-UHFFFAOYSA-N	414.490	5.217	30	20	HKED	
C=C(C)CN1CCC(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CC1	592075562	MEBMRWLMUZOYNF-UHFFFAOYSA-N	419.544	5.063	30	20	HKED	
COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1	592974109	OBCNACIGBHJZHR-CQSZACIVSA-N	409.467	5.058	30	20	HKED	
Cc1nc(NC(=O)c2cccc(CC#N)c2)sc1-c1nc2ccccc2n1C(F)F	603734550	AFQZKMPYYRVXIK-UHFFFAOYSA-N	423.448	5.182	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3csc(-c4cccs4)n3)cn2)cc1	603765140	QCTSYLIJLIGUJE-UHFFFAOYSA-N	404.476	5.183	30	20	HKED	
C=CCN(C(=O)c1csc(Cc2ccccc2F)n1)c1nc2c(s1)CCCC2	605079055	QJZKHBHRJPLIOK-UHFFFAOYSA-N	413.543	5.041	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	607305805	ROQJCGBPSYSAGR-VXGBXAGGSA-N	407.285	5.485	30	20	HKED	
CN(C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1F	609261912	JZDYMHLXVROMDH-UHFFFAOYSA-N	408.860	5.135	30	20	HKED	
Cc1cc(Oc2ccccc2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1	609445665	YQRQICDWBHWXQF-UHFFFAOYSA-N	424.456	6.083	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC(c3cccc4ccccc34)CC2)c1	609502694	BSQGOCYASCDNOR-UHFFFAOYSA-N	412.533	5.667	30	20	HKED	
N#CCc1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(Cl)cc2)c1	609908204	FVCUAUDBWXKQGJ-UHFFFAOYSA-N	402.841	5.104	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)o1	609984588	PUYBKWOHKNFBJY-HXUWFJFHSA-N	404.466	5.389	30	20	HKED	
C[C@@H](Nc1ccccc1OCC1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	610140055	RGJYLOWDACHUNC-OAHLLOKOSA-N	409.555	5.117	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	610168046	LYJCQJJEFAITLC-UHFFFAOYSA-N	415.946	5.389	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)sc2c1-c1ccccc1CC2	610172217	FMPBSDUAJXFHDV-HOTGVXAUSA-N	406.457	5.406	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(COC3CCCCC3)c2)c(Cl)c1	611096864	OGOGDCGTKUTFCP-UHFFFAOYSA-N	403.309	5.967	30	20	HKED	
Cc1cc(N[C@H](C)c2cccc(C#N)c2)nc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)n1	611932604	WBSNNCLVXZHMAQ-OTWHNJEPSA-N	410.525	5.113	30	20	HKED	
COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	613345923	AKFCSIKHQGAEAO-OAHLLOKOSA-N	403.290	5.616	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)CCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1	613346715	OPCKMULZNXYMOG-CYBMUJFWSA-N	419.358	6.157	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1sc(-c3ccccc3)nc1C(F)F)CCCC2	614299886	FCELUESKIDABMR-UHFFFAOYSA-N	410.449	5.145	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674572296	HVIHGWUJYYCZAH-AOOOYVTPSA-N	408.264	5.218	30	20	HKED	
N#CCCCn1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c2ccccc21	683689715	JOWSTSUWQQSPKF-MRXNPFEDSA-N	402.454	5.184	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNc1ccc(OC(F)F)cc1	726429113	JMYDAUMXRNSZBP-UHFFFAOYSA-N	404.848	5.249	30	20	HKED	
COc1ccc(OC)c(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	726461818	YQFVBGILSRIOMC-FQEVSTJZSA-N	403.507	5.168	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC	727487058	XIWGKVLMVCBBDO-UHFFFAOYSA-N	421.280	5.606	30	20	HKED	
CCc1ccc([C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	727954519	QSQXKRINXKEHFO-LRDDRELGSA-N	402.441	5.857	30	20	HKED	
Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)n1-c1ccc(C#N)cc1	728265811	KAULUDFTYSOUPN-UHFFFAOYSA-N	421.884	5.033	30	20	HKED	
Cc1cc2oc(=O)cc(Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2cc1C(C)C	728705448	WTIYAWNNUOAANA-UHFFFAOYSA-N	418.880	5.113	30	20	HKED	
Cc1cccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)[C@H](C)CC#N)c2=S)c1	728902914	YCAWBABBORUPHQ-MRXNPFEDSA-N	411.962	5.224	30	20	HKED	
N#Cc1cccc(Oc2ccc(NCc3cc(=O)oc4cc5c(cc34)CCC5)cc2)c1	731357249	DYZZTBNNMJSRRJ-UHFFFAOYSA-N	408.457	5.558	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	732145736	GAEDKVSQNCUBGI-UHFFFAOYSA-N	403.438	5.502	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C	733070200	HAODWECKSNBFQL-GOSISDBHSA-N	422.554	5.083	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c1	733845216	POLKOHMHTSROJO-LJQANCHMSA-N	424.501	5.036	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)co1	734100811	SBBQBMKEUWTRAI-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)/C=C/c1ccccc1C#N	737734256	WWVLZFQTWOOFMZ-XYOKQWHBSA-N	410.452	5.211	30	20	HKED	
COc1cccc(/C=C/C(=O)c2ccc(SCC(F)F)cc2)c1OC(F)F	741840933	BUGKUHQYJABFQV-JXMROGBWSA-N	400.393	5.550	30	20	HKED	
COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(-c2ccccc2OC)cc1	741843007	WUBHMKDJRFFHDQ-NTCAYCPXSA-N	406.453	5.423	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)c(OC(F)F)cc1C	742432747	GTCOGEPZXIUUBT-TWGQIWQCSA-N	412.436	5.113	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1F	743035645	IBGNVWHQUMDXJG-UHFFFAOYSA-N	403.482	5.787	30	20	HKED	
Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	743093406	UDQFLXAJKOIPEO-RUZDIDTESA-N	411.549	6.092	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1C	743237794	FQDQPIQYDDYEHP-UHFFFAOYSA-N	418.428	5.401	30	20	HKED	
COc1cc(/C=C2/CCOc3cc(Br)ccc3C2=O)ccc1SC	746342190	NMAMQQNPOPSENH-LCYFTJDESA-N	405.313	5.228	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C[C@H](C)c3ccccc3C2=O)cs1	751535289	IRTQUVVGZMIWCI-AOHITCTBSA-N	406.482	5.740	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCC(C)(C)c1ccccc1	754532145	QZXDCESOVZIBCC-QGZVFWFLSA-N	412.917	5.062	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(Cl)nc2)ccc1OCc1ccc([N+](=O)[O-])cc1	759081537	IAQHCSKLJCSCIH-WTKPLQERSA-N	424.840	5.127	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1	760801297	OGMAHUDZMSHUJB-JOCHJYFZSA-N	424.859	5.449	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)c3ccc(C#N)s3)cc2)s1	762443865	SNWQDRLGGKBMNU-OZDSWYPASA-N	400.484	5.345	30	20	HKED	
C=C1CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)CC1	772452695	JMJOCNXKERRHIK-UHFFFAOYSA-N	407.695	5.082	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	772669243	FADNNHVYVKZZLR-PXAZEXFGSA-N	409.338	5.450	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Br)ccc2F)ccc1OC	772980478	PGJYSMDHUHGVDB-BBRMVZONSA-N	421.310	5.129	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1	776973505	PWDUTWQUZZPEQC-MRXNPFEDSA-N	405.498	5.080	30	20	HKED	
CC(=O)c1ccc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)c(F)c1	777200834	PRGMSTDYGFIYRO-UHFFFAOYSA-N	401.437	5.085	30	20	HKED	
Cn1cc(CNc2ccc(N3CCCCC3)c(Cl)c2)c(-c2ccc(C#N)cc2)n1	778103848	YXICRICJYBPSQK-UHFFFAOYSA-N	405.933	5.215	30	20	HKED	
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1)c1ccnc(Cl)c1	782195271	VFDAZPREESBUGI-KQQUZDAGSA-N	409.272	5.576	30	20	HKED	
C[C@@H](NCc1c(C(F)(F)F)nn(C)c1Cl)c1ccc(-c2cccc(C#N)c2)cc1	782523782	LFPYUYJSUISHGC-CYBMUJFWSA-N	418.850	5.482	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1	782788140	LDQWSHNERRFWQH-UHFFFAOYSA-N	404.470	5.119	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1)c1ccccc1	787046951	UFBYAHNGAPMQSE-AEFFLSMTSA-N	423.925	5.053	30	20	HKED	
COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1cc(Br)c(Cl)s1	790226030	ZDQSDAWEDGPUPP-XQRVVYSFSA-N	414.708	5.027	30	20	HKED	
C[C@H](Sc1nc2c(Br)cccc2s1)C(=O)Nc1ccccc1C#N	794451923	IYDRVRPDPMEDNR-JTQLQIEISA-N	418.341	5.050	30	20	HKED	
COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(C)o1	797186943	NHGSDWAJAYLOLA-SNAWJCMRSA-N	400.066	5.018	30	20	HKED	
N#C[C@H](C(=O)CCCC1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	798815987	DDIWZLBDVBPOEU-MRXNPFEDSA-N	423.365	5.890	30	20	HKED	
Cc1cc(Cl)nc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	800536154	NEFXISORJUMWNH-UHFFFAOYSA-N	420.900	5.124	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1	810823008	FLHPVIHJAGEXRG-HJWRWDBZSA-N	404.495	5.151	30	20	HKED	
CC(C)(C)c1cnc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)s1	814749019	QGLIGOIWGOXUHJ-UHFFFAOYSA-N	412.371	5.177	30	20	HKED	
CCn1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c2ccccc21	915047781	AQNTZPPYIUPADQ-UHFFFAOYSA-N	412.518	5.290	30	20	HKED	
COc1ccc2ccccc2c1C=Nn1c(S)nnc1Cc1cccc2ccccc12	916278203	FSUHGVZMHLCSQS-UHFFFAOYSA-N	424.529	5.355	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cc3ccccc3)n2)cc1	916915083	CKAKKMWQZPUTKG-FQEVSTJZSA-N	417.534	5.038	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1	1789092897	KVBMGGQVKDRRRS-KRWDZBQOSA-N	401.510	5.128	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1	1828823105	PGESBWWHXMOEOS-BJKOFHAPSA-N	414.634	5.345	30	20	HKED	
Cc1ccc([C@@]23OC[C@H](C=CC2=O)O3)cc1Cc1ccc(-c2ccc(F)cc2)s1	2048529349	UCQLYZAVLNFJOW-RDPSFJRHSA-N	406.478	5.161	30	20	HKED	
O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1cccc(O)c1)c1ccc(Cl)cc1	10825471	XQXVGVOJGWFMAD-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
C=CCN(C(=O)[C@H](C)n1cccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	28485990	MBVVLDQKNMIGIU-LBPRGKRZSA-N	407.326	5.094	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4ccc(O)cc4C3)cc2Cl)cc1	56750705	HCXINLOZLVCMTM-UHFFFAOYSA-N	419.868	5.300	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1cccs1	64455521	LCEKRMITEGGDCG-UHFFFAOYSA-N	420.515	5.919	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC)cc1C(F)(F)F	64563966	SAKSYIBHPWVHSE-UHFFFAOYSA-N	405.420	5.420	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1	108846027	SAONTJPCLZOHQN-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
CC(=O)Nc1cccc(C(=O)/C=C\c2cc(C)c(OCc3ccccn3)c(C)c2)c1	206628610	ZGBQXVYIZBYHHM-KHPPLWFESA-N	400.478	5.132	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12	303105040	JAFYRTSCTWDYFE-UHFFFAOYSA-N	424.504	5.431	30	20	HKED	
Cc1cc2sc(NC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)nc2cc1F	434500353	BGBUQWIPQSPMFZ-UHFFFAOYSA-N	415.334	5.092	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1Cl	436097544	CKGKUEPJXJMYNK-GOSISDBHSA-N	418.909	5.699	30	20	HKED	
CCSc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	437390815	UUVJLXONQSTSPN-ZDUSSCGKSA-N	405.857	5.687	30	20	HKED	
C=CCc1cc(C)cc(OC)c1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	438318586	LPCCURYQVJWTEQ-KRWDZBQOSA-N	410.539	5.144	30	20	HKED	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	438985294	NDRPTSVVCCDJML-UONOGXRCSA-N	410.486	5.823	30	20	HKED	
N#CC1CCC(CNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CC1	441140783	NFYDVVTXQNDGSE-RGEXLXHISA-N	411.505	5.374	30	20	HKED	
C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCN(C2CCC2)C1	444675869	SRHUNJDECGDETM-GOTSBHOMSA-N	401.598	5.129	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)cc(C(F)(F)F)c1	445825843	UHCRYCBICUVUFC-UHFFFAOYSA-N	415.346	5.464	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)Nc2ccc(CC#N)cc2)nc1-c1ccc(Cl)cc1	446939964	QWQYEMGVEJWQBR-CYBMUJFWSA-N	410.930	5.721	30	20	HKED	
COC(=O)c1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1nccc2ccccc12	447633036	SPTWOOLYSAJXIY-QHCPKHFHSA-N	406.441	5.178	30	20	HKED	
Cc1cccc(O[C@H](C)CNC(=O)c2ccccc2Sc2ccccc2C#N)c1	460561960	ACNMNNLVKYMFIA-GOSISDBHSA-N	402.519	5.215	30	20	HKED	
N#Cc1ccc(CSCC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cc1	460635242	JVHCHAXXXARBQU-UHFFFAOYSA-N	424.472	5.178	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCC(=O)N[C@H](c2ccccc2)C2CC2)cc1F	463234422	UKZOTBRITUBFBP-RUZDIDTESA-N	415.468	5.169	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)cc1	466555171	LBVXOIQCEVXQTN-HSZRJFAPSA-N	419.456	5.307	30	20	HKED	
COc1ccc(N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1Cl	466902357	GILSTCKSLAVEFE-UHFFFAOYSA-N	406.869	5.484	30	20	HKED	
C=CCN(C(=O)c1cncc(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	469296728	JHJMNEXYASYGEM-UHFFFAOYSA-N	408.285	5.484	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1	470638816	YNMXKEGGUBYLRC-UHFFFAOYSA-N	424.595	5.039	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4c(ccc5ccccc54)[nH]3)ccc21	470852067	MSXWEAORACRVBK-UHFFFAOYSA-N	422.488	5.156	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1	473824132	NUHMITCHXDVPRM-LSDHHAIUSA-N	407.499	5.014	30	20	HKED	
N#CCC[C@H](NCc1ccc(OC(F)(F)F)c(Br)c1)c1ccccc1	474889344	RCUZRKYQMCZASV-INIZCTEOSA-N	413.237	5.482	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCCOc1cccc(C(F)(F)F)n1	475544542	GSYHLWCQGIXPEB-UHFFFAOYSA-N	407.436	5.153	30	20	HKED	
Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	478049782	NBRIPBDRGLLATQ-ZDUSSCGKSA-N	408.889	5.097	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1	482803232	ZKOBSEMBNMROFI-UHFFFAOYSA-N	408.517	5.595	30	20	HKED	
COc1ccc(-c2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)sc2C)cc1	487456470	UVYPZFAJACPDNB-QFIPXVFZSA-N	404.535	5.897	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl	499816172	UTIYJMQPLXJENG-WWGRRREGSA-N	413.226	5.497	30	20	HKED	
N#C[C@H](NC(=O)CCCCOc1ccc(Br)cc1)c1ccc(Cl)cc1	499833933	MUSXOESAIDNFDW-SFHVURJKSA-N	421.722	5.033	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1ccccc1-c1ccccc1	501018667	NLTTYONSMFYCKQ-UHFFFAOYSA-N	408.457	5.430	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1	501188472	SPYCDDFMCATXOH-CQSZACIVSA-N	423.929	5.688	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C	503003941	YAULEDLXQAHBCC-UHFFFAOYSA-N	417.456	5.548	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	503011951	ADDQBRJYPOKARS-BVZFJXPGSA-N	422.525	5.335	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](C#N)c3ccccc3Cl)c12	505662793	ORJVXIZDGHBGSK-IBGZPJMESA-N	421.932	5.020	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(F)c(C)c2)cc1	508267934	PQFXHICWSJWXKG-UHFFFAOYSA-N	405.429	5.128	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N1CCC(C)(C#N)CC1	508495844	JLBKVAFCQCPLTD-AWEZNQCLSA-N	402.951	5.168	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cccc(COc3cccc(F)c3)c2)c1	510077222	QIYAUANLXXAKOZ-UHFFFAOYSA-N	404.441	5.340	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1c(Cl)cccc1Cl	510214474	YDSKKAQFCHYMPB-UHFFFAOYSA-N	414.317	5.658	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CCc1ccc(O)cc1	512784636	VKBNNUGEXZRKDZ-GOSISDBHSA-N	415.493	5.507	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc2cc(Cl)ccc2s1	516714137	QSNMSQAEZUFDCQ-KRWDZBQOSA-N	419.893	5.414	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1	518140400	NZEFLMYICWPAST-SBUREZEXSA-N	421.591	5.318	30	20	HKED	
C[C@@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc(C#N)cc1	518277380	HXLSPIXSGBEQMA-SJKOYZFVSA-N	402.338	5.281	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cs2)o1	519125575	QEHHISCEVGGMSZ-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)c1	519191514	ARCZPHAQOYIMNJ-UHFFFAOYSA-N	409.489	5.205	30	20	HKED	
CN1CCC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)[C@@H]1c1ccc(C(F)(F)F)cc1	519573424	XAQLBGBLUJWEFD-OIBXWCBGSA-N	413.487	5.237	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cnc(O)c2ccccc12)c1ccc(C(F)(F)F)cc1	530338134	XHQIKRPFVMXRAD-LJQANCHMSA-N	400.400	5.397	30	20	HKED	
N#CCc1ccnc(NC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)c1	532180697	WOHDCHXIDUOECM-FQEVSTJZSA-N	412.276	5.213	30	20	HKED	
CSc1cccc([C@@H](NC(=O)c2ccc(CC#N)cc2)c2cc(F)ccc2F)c1	534673940	BAAZJKZCVXEMOS-JOCHJYFZSA-N	408.473	5.272	30	20	HKED	
Cc1ccc(Br)c(NC(=O)c2occc2COc2cccc(C#N)c2)c1	534896736	FRTNJQFTGXUMLF-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
N#Cc1c(NC(=O)c2cccc([C@H]3CCOC3)c2)sc2c1-c1ccccc1CC2	534914430	MKKTYHZPGPPOIN-SFHVURJKSA-N	400.503	5.142	30	20	HKED	
N#CCc1ccc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cc1	536188902	VAOXPZUMSZODQT-UHFFFAOYSA-N	415.537	5.255	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(C#N)cc2OC(F)F)ccc1OCC(C)C	539266774	AWMCHMQULLSYAH-HNNXBMFYSA-N	404.457	5.054	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	541638048	FXFHGXJPZNFETQ-YLJYHZDGSA-N	423.406	5.059	30	20	HKED	
Cc1ocnc1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	543085695	XNDYFDTYSOYJCB-NSHDSACASA-N	420.231	5.054	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CCN1Cc1ccccc1	546834620	XMKXUDCPXSJRSB-PZJWPPBQSA-N	422.598	5.209	30	20	HKED	
N#Cc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1Cl	548299250	BFQYZHWXUALNPH-UHFFFAOYSA-N	400.265	5.026	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCOc1cccc2ccccc12	548952787	UTCRAKDJZDSFOH-UHFFFAOYSA-N	402.881	5.457	30	20	HKED	
C=CC[C@@H]1N(C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CCCC1(C)C	566595564	JRPNZEWBRMPNTP-IBGZPJMESA-N	400.544	5.034	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Br)c(Cl)c1	576131177	CFIHRECXIDMIAK-UHFFFAOYSA-N	410.743	5.098	30	20	HKED	
CC(C)(CCC#N)CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F	577882639	AEBULKCCOLKMTQ-UHFFFAOYSA-N	422.407	5.002	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1	578924068	KJQGXRLLAWVHFD-KBPBESRZSA-N	407.461	5.982	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@](C)(C#N)C1CCCCC1	583282572	HZGZAGRZAOMZHH-NRFANRHFSA-N	417.962	5.276	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)Cc2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1	589146527	FLHXUNKRHOZPLF-YLJYHZDGSA-N	402.498	5.004	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCO[C@@H](c2ccccc2)C1	591835946	PNCJPVGSBGWFPR-HSZRJFAPSA-N	402.519	5.143	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCc2ccc(F)cc21	592494605	MIBJCGTZQYQHKH-REJLFOLJSA-N	412.349	5.022	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)nc3)c2C#N)C1	592996503	SYHPWXNXEYZYLG-LBPRGKRZSA-N	407.461	5.437	30	20	HKED	
FC(F)(F)c1ccc(OCCN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	593288984	AXHYCAUYHSEALK-TXEJJXNPSA-N	409.292	5.147	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CCC4)c12	603727389	PBYOCJCIQVNSKH-UHFFFAOYSA-N	419.554	5.046	30	20	HKED	
C=CCn1c(SCc2nc(CC3CC3)no2)nnc1-c1ccc(Cl)cc1Cl	608347258	DOADPEIYUQMVHY-UHFFFAOYSA-N	422.341	5.066	30	20	HKED	
CCOc1ccc(Oc2ccc(NC(=O)NCc3ccc(C#N)cc3F)cc2)cc1	609252557	UZYZJBLGEHXKGF-UHFFFAOYSA-N	405.429	5.210	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1	609315922	RAKRAFMQROVOTB-UKRRQHHQSA-N	424.957	5.321	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cs2)c1	609415126	YSOBVYMCEQCZEQ-OAQYLSRUSA-N	403.551	5.340	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1	609438105	BWFZVIKLOQNZGR-DLBZAZTESA-N	422.554	5.090	30	20	HKED	
COc1ccc(OC(C)C)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609505983	FVEGBJIUGJVHMU-UHFFFAOYSA-N	416.477	5.593	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)cn2)c1	609553620	DMAFHNBTMKUKAJ-GOSISDBHSA-N	418.884	5.420	30	20	HKED	
N#Cc1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1	609961204	AEWQTRWVWVHXMY-NXEZZACHSA-N	404.276	5.898	30	20	HKED	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)CSc3ccc(C#N)cc3)cc2c1	610067101	WDNGMTWUYBYVKO-UHFFFAOYSA-N	416.502	5.527	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)nn1	610200902	BNWCPYWKICPBEJ-UHFFFAOYSA-N	421.460	5.445	30	20	HKED	
C[C@@H](NC(=O)N1CCC(c2cccnc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1	611854914	BONSGHZRSPEOQN-LJQANCHMSA-N	410.521	5.270	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674572298	HVIHGWUJYYCZAH-UWVGGRQHSA-N	408.264	5.218	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	682821822	HCBPHTKBBYXBQH-SFHVURJKSA-N	406.570	5.593	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1Cl	727628059	RTJAVFTXEDFDAY-BMGYJQCNSA-N	407.684	5.398	30	20	HKED	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728515099	ZLOVQWJAONZVMM-UHFFFAOYSA-N	421.840	5.184	30	20	HKED	
CSc1ccc2cc(COC(=O)CSc3ccc(C#N)cc3)c(Cl)nc2c1	728680773	ZCNLKIJVIPOIJA-UHFFFAOYSA-N	414.939	5.317	30	20	HKED	
C=CCc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC	729683224	HLJNZGZSEPCIEW-UHFFFAOYSA-N	424.522	5.359	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc2cc(F)ccc2s1	730418571	XQSHSQRTDVGFPA-AWEZNQCLSA-N	415.287	5.106	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730490922	NZJHULZTSZPOGX-QZTJIDSGSA-N	410.304	5.232	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1	731318077	BJKUJVISSKVXGG-AWEZNQCLSA-N	422.044	5.813	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccc2ccccc2c1	731542043	RUWOBSRFTOPMBU-IIBYNOLFSA-N	405.523	5.089	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCSc4c(F)cccc43)c2)s1	740034797	ZNVGXDMEYFHNKD-IBGZPJMESA-N	423.538	5.462	30	20	HKED	
Cc1ccc(Br)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	741902409	MHYMSXCUDWCPDF-NRFANRHFSA-N	405.295	5.665	30	20	HKED	
COCCN(C(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12)c1ccc(C#N)cc1	741957345	NDENWUBUTIAFPD-UHFFFAOYSA-N	421.500	5.375	30	20	HKED	
COc1ccc(/C=C2/N=C(SCCC(C)(C)C#N)N(Cc3ccccc3)C2=O)cc1	742451489	QLFWWTWIKQLFTO-RCCKNPSSSA-N	419.550	5.108	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCO1	743093815	YFSGICRDZOMPKE-DQEYMECFSA-N	411.505	5.256	30	20	HKED	
O=C(Nc1cccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)c1)c1ccccc1Cl	749454308	XWRIVBFZPVFROC-FLIBITNWSA-N	418.855	6.109	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3Br)c2C#N)C1	759055273	KYXMRBGLOYZLOB-LLVKDONJSA-N	418.360	5.181	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3cccc(-c4ccc(Cl)c(Cl)c4)c3)o2)c1	760452604	YVOVSPKXWYLYKG-UHFFFAOYSA-N	421.287	6.194	30	20	HKED	
C[C@@H](OC(=O)/C=C\c1ccccc1C#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	761061375	XOZZMCZVPXKUJU-ZVTBTPLYSA-N	414.248	5.233	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(C)c1F	764567356	PBJQQGGKQBZRRD-LJQANCHMSA-N	402.425	5.196	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@H](C#N)c1nc(C(C)C)cs1)oc1ccccc12	768125960	JTSSQSPJLIVQTH-HNNXBMFYSA-N	405.479	5.420	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)N[C@@H](C)c3ccc(OCC#N)cc3)s2)cc1	772959390	LKTCWSYVWBPYBS-JKSUJKDBSA-N	407.539	5.441	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)c1	772983443	KHZZRTAHYASLFW-PGRDOPGGSA-N	408.546	5.092	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)NCCSCc1ccnc(Cl)c1	778423474	UDZFFIJVYMVUCQ-UHFFFAOYSA-N	423.925	5.062	30	20	HKED	
C#CCCCCCC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1	779900765	ADUGVDZUKHABNE-UHFFFAOYSA-N	402.494	5.345	30	20	HKED	
Cc1csc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1Br	792590505	YQWXPSQWNXIFJB-KRWDZBQOSA-N	411.324	5.727	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C[C@H](CC#N)c3ccccc3)ccc21	793442792	MYDKRAMEGMCGLB-IBGZPJMESA-N	419.525	5.400	30	20	HKED	
C=CCN(C(=O)C[C@H]1CCCOC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	796524835	QNEMMAYTMRXZAN-LJQANCHMSA-N	418.562	5.813	30	20	HKED	
CC(C)(C)c1ccc(N2CCC(NC3CCN(c4ccc(C#N)cc4)CC3)CC2)cc1	796699898	BKLLQJBSIXATAC-UHFFFAOYSA-N	416.613	5.083	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)[C@@H]3OCCc4sccc43)n2)cc1	796764072	OHOFPIWHCNOIHT-ZVGUJKQYSA-N	408.548	5.306	30	20	HKED	
N#CC1(CCCOC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CCOCC1	800175346	MATUSHXNZUAYIQ-UHFFFAOYSA-N	403.400	5.028	30	20	HKED	
CC(C)(C(=O)OC[C@H](C#N)Cc1cccs1)c1csc(-c2cccs2)n1	800402671	NLIOYKGRZFWTLN-ZDUSSCGKSA-N	402.566	5.136	30	20	HKED	
C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	800780902	NJTXOBDUECTFHX-GOSISDBHSA-N	418.932	5.045	30	20	HKED	
CCOC(=O)[C@@H]1C/C(=C\c2ccc(OC(F)F)c(OCC)c2)C(=O)c2ccccc21	802709030	YYVBHAQCCASFOE-HAZIXKIPSA-N	416.420	5.003	30	20	HKED	
N#C[C@@H](C(=O)C12CC(C(F)(F)F)(C1)C2)c1nc2cc(C(F)(F)F)ccc2s1	810537519	VURAANGUCHBQCN-RAXBXGLRSA-N	404.335	5.224	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1	812744523	HZENCDPIJKRDNV-ROUUACIJSA-N	413.949	5.149	30	20	HKED	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1	815788374	DBCRSLLTXDYCAC-DEOSSOPVSA-N	411.505	5.152	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc(Cl)c2OCC(F)F)c1	864027500	BKCCQRVWFNYXRP-UHFFFAOYSA-N	401.638	5.230	30	20	HKED	
Cc1ccc(C(=O)N(O)Cc2cccc3ccccc23)cc1NC(=O)NC(C)(C)C	901371296	RCCAHLMKAUYSPA-UHFFFAOYSA-N	405.498	5.100	30	20	HKED	
COc1ccc(C(C)=O)cc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	915102296	VRIDIMAEUPCQRF-SFHVURJKSA-N	424.909	5.094	30	20	HKED	
CSc1nccn1-c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	916052023	XSTNHDSBPZAAGA-HSZRJFAPSA-N	424.529	5.502	30	20	HKED	
Cc1cc(C)nc(NN=Cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2Cl)n1	916241117	HZCJMHMDGWLOKB-UHFFFAOYSA-N	423.735	5.053	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NN=C(c2ccccc2)c2ccccc2)cs1	916263775	BXTDJMJJLHRCHO-UHFFFAOYSA-N	424.529	5.699	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4ccccn4)c3C)n2)cc1	916973195	WBQKGNURCAASAV-HXUWFJFHSA-N	412.518	5.411	30	20	HKED	
C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1CCC1(C)CC1	1510255491	HFVMNWZGYCFAKA-HOTGVXAUSA-N	401.942	5.000	30	20	HKED	
C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1	1789049224	DSDXGXBGSLENPH-UHFFFAOYSA-N	424.447	5.392	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1	1789730312	JFKPQGGBXNQJDW-IBGZPJMESA-N	423.944	5.251	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(C)cc2s1	1801084396	XKSPCVPTACUSMU-WOZUAGRISA-N	422.594	5.230	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC	16408237	ARICBLGODRVFNK-ZRDIBKRKSA-N	421.880	5.506	30	20	HKED	
Cc1ccc(OCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	46667728	USMPCSFMOALPRC-UHFFFAOYSA-N	401.466	5.160	30	20	HKED	
CCOc1ccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	56102736	GBGOSLRSBXLBSU-UHFFFAOYSA-N	414.505	5.302	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc4ccccc34)c2)c1	58427944	FZMKCXTXLJHLGD-UHFFFAOYSA-N	420.472	5.285	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(COc3ccccc3)n2CCC(C)C)cc1	60709425	HVKKLTGDQGJOIV-QFIPXVFZSA-N	420.582	5.439	30	20	HKED	
C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3cccc4ccccc34)nnc12	63413668	KXNUCPDYEMRHGX-INIZCTEOSA-N	412.518	5.237	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1	64389725	KOGMGELALOKHQX-WOJBJXKFSA-N	403.869	5.450	30	20	HKED	
CCC[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	72108411	CWYGHCMVEFQVNR-SFHVURJKSA-N	408.552	5.224	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1	105475598	BVPJGHSVXUPQRD-UHFFFAOYSA-N	422.884	5.482	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(F)cccc4s3)n2)cc1	108977879	JPMVLADVGOBHGF-HNNXBMFYSA-N	408.479	5.663	30	20	HKED	
CC(C)OCc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	109116082	MURSWIMUXCDJTN-UHFFFAOYSA-N	400.478	5.315	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1	210611602	DIVZKAQVVDPIQG-OWBHPGMISA-N	415.489	5.307	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)ccc1OC(F)F	214933873	FQFOLMFJCZOBRY-UTCJRWHESA-N	416.392	5.516	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(F)cc3C)o2)ccc1OC	236896355	JBWOUHNKPMVRNU-LJQANCHMSA-N	408.473	5.374	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccccc3OC)cc2)ccc1OC	236896832	NMFJYKPVGUDCAQ-JOCHJYFZSA-N	416.521	5.342	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1Cl	237477278	KQYDKOFLIDNAOZ-KRWDZBQOSA-N	421.928	5.403	30	20	HKED	
COc1ccccc1-c1nnc(Sc2cccc(C#N)n2)n1-c1ccc(Cl)cc1	301823469	HUJTYFSJEOUDRB-UHFFFAOYSA-N	419.897	5.014	30	20	HKED	
CCN(Cc1ccccc1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	303128990	OWBORMINYBJSMC-UHFFFAOYSA-N	415.493	5.722	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	303634053	GGSYLNJDYMCXDS-UHFFFAOYSA-N	415.880	6.057	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1)c1ccccc1	409495260	VFGUYHWAOHMJHU-GOSISDBHSA-N	407.477	5.169	30	20	HKED	
Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	430549595	DVYGLINEOOKQSP-UHFFFAOYSA-N	423.900	5.312	30	20	HKED	
COCCN(C(=O)Nc1cccc(C#N)c1C)[C@@H](C)c1cccc(C(F)(F)F)c1	432285867	MNBAIYLYROVTIL-HNNXBMFYSA-N	405.420	5.127	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(Cl)cc(F)cc1Cl	432730847	WHDOGQHZMWRANJ-UHFFFAOYSA-N	415.251	6.357	30	20	HKED	
CCCCn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	435069044	XEBHLOMIZHPBMG-HXUWFJFHSA-N	406.917	5.553	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCc1cc(C#N)ccc1F	437993422	DZDZOTRJCQJCIL-QGZVFWFLSA-N	403.457	5.468	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)sc1C	438658218	AWMGWYVBSRPKGM-UHFFFAOYSA-N	424.501	5.620	30	20	HKED	
Cc1cnc(C2CCN(c3c(C#N)cnc4c(Br)cccc34)CC2)s1	440680097	ZQGKUJSHNCEJCM-UHFFFAOYSA-N	413.344	5.018	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cccc(O)c1	444902136	VVZKBJCUCSRHEU-KRWDZBQOSA-N	401.466	5.034	30	20	HKED	
C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(COc2cccc(C#N)c2)c1	460213889	TVTXUGLEUAQHPG-IBGZPJMESA-N	411.505	5.012	30	20	HKED	
N#CCCCC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12	461776480	PAOXBVWXGNQFMS-HSZRJFAPSA-N	407.517	5.777	30	20	HKED	
N#Cc1cc(NC(=O)CC2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1	464305096	SRFMTMYIBCVBSC-UHFFFAOYSA-N	404.388	5.125	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2C(C)C)cc1	464479377	VZMOHTSEHMNJPS-QGZVFWFLSA-N	412.415	5.208	30	20	HKED	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	467557809	OAKCKJLGMQVFCE-KGLIPLIRSA-N	401.482	5.510	30	20	HKED	
N#Cc1ccc(OCC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)cc1	470125017	UGJAJZPXEKLTTP-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	470623599	IZSWXHXJNFOJIU-MLGOLLRUSA-N	408.807	5.417	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccs4)C3)cc2)cc1	473782569	BVBVVSUTASXLOY-FQEVSTJZSA-N	405.479	5.017	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cc2cccc(F)c2o1	475700569	JUNDTOLRNMTYBU-GJZGRUSLSA-N	411.502	5.113	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	476121473	YDNSYMTVAFHWNM-OALUTQOASA-N	403.444	6.179	30	20	HKED	
CCC1(CO)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	482991474	JQPYJAXFBQSYFT-HXUWFJFHSA-N	411.933	5.012	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c12	483218500	ZUWUDTYPVZIBKL-HXUWFJFHSA-N	404.429	5.237	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc1	484345667	AUSLGSYYTWEDDR-UHFFFAOYSA-N	417.462	5.014	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(F)cc1Br	486235287	YDXZUROORYLANR-GFCCVEGCSA-N	407.308	5.164	30	20	HKED	
CC(C)c1c(NC(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccccc1	486244631	UINBFMNYDMIYNJ-UHFFFAOYSA-N	403.486	5.322	30	20	HKED	
N#CCCC[C@H](NC(=O)CCc1cc(Br)ccc1F)c1ccccc1	487384587	AULLZOBJNOEVIC-IBGZPJMESA-N	403.295	5.072	30	20	HKED	
C=CC[C@@H](C(=O)Nc1cc(Br)ccc1OCCOCC)c1ccccc1	489438457	HJDRPHCTIRTZRB-GOSISDBHSA-N	418.331	5.163	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2COc3ccc(Cl)cc32)cc1	489919429	BUMDVFYDOIXLSZ-NRFANRHFSA-N	418.880	5.100	30	20	HKED	
C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nnc1-c1ccccc1F	498391893	XMYFIYKDOCTSNS-UHFFFAOYSA-N	421.444	5.173	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(C(F)(F)F)c1	499563616	VYMIVUOBSNDHPQ-KBPBESRZSA-N	422.472	5.874	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(CC#N)cc2)c(C)c1	500389996	KXSIMDJPIUTPEM-UHFFFAOYSA-N	406.489	5.475	30	20	HKED	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CSCc1ccc(C#N)cc1	500437477	AFHHHBWBYVXUAR-GOSISDBHSA-N	406.576	5.643	30	20	HKED	
CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)no1	501331460	UZDGCFRATOSSRI-MRXNPFEDSA-N	421.423	5.233	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccc(Br)cc3Cl)n2)c1	502466105	VSSXKDXPNWLFHZ-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1	505834500	SVZIIEPNOVMMHC-IBGZPJMESA-N	422.916	5.001	30	20	HKED	
Fc1ccc(-c2nc(CN[C@@H](c3c(F)cccc3F)C(F)(F)F)co2)cc1F	506277628	RIMOICHLFQBVDF-INIZCTEOSA-N	404.285	5.291	30	20	HKED	
COC1(c2noc(-c3cccc(SCC#N)c3)n2)CCC(c2ccccc2)CC1	508584904	BDYFWLGKZHJLEG-UHFFFAOYSA-N	405.523	5.552	30	20	HKED	
N#CC1(CCCSCc2ccc(Br)c3cccnc23)CCOCC1	512383320	WSMVAQLOGNGMME-UHFFFAOYSA-N	405.361	5.331	30	20	HKED	
CCCOc1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc2ccccc12	513269761	WDXRDQPPGFDMFN-MRXNPFEDSA-N	405.523	5.670	30	20	HKED	
COc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1OC	515713403	GOQWWHHOJYCUEC-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc(-c2ccncc2)cs1	518641982	GGRWCCHIQLGDBA-LJQANCHMSA-N	417.515	5.336	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccc(F)c(Cl)c1	519419845	PXLPCKBMTDTRFQ-KBPBESRZSA-N	422.978	6.164	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)s2)o1	521016282	XTNMWFGMDYGIMN-CQSZACIVSA-N	406.294	5.321	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)on1	521385226	YZGDFYGGBSHBBL-IBGZPJMESA-N	422.872	5.669	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4nc(C5CC5)sc4c3)o2)cc1	524377620	KPYHZRKRAZBGOV-UHFFFAOYSA-N	415.474	5.470	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)c1	525488700	CJUAAXWWKNOLOY-UHFFFAOYSA-N	410.521	5.327	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccoc1)C1CCCCC1	533294940	IZZIJNNBMWYADQ-GOSISDBHSA-N	411.571	5.447	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1	534910911	FTRATYLUJBONMZ-PMACEKPBSA-N	410.517	5.502	30	20	HKED	
CCCCN(CCCO)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	538203305	KDNTUZXNLAJRRM-UHFFFAOYSA-N	401.894	5.020	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1	539096652	KOEBYXDFVUHHSR-UHFFFAOYSA-N	421.500	5.519	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(C)nc1-c1ccccc1	540061941	NJHVMDZPDMMJNV-UHFFFAOYSA-N	408.461	5.312	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2C)NCc2ccc(CC#N)cc2)cc1OC	541326628	MPHLKIAGRLMCQU-DEOSSOPVSA-N	400.522	5.152	30	20	HKED	
N#CCC1CCN(C(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)CC1	542908395	NEDJMVIYZDVOAM-UHFFFAOYSA-N	402.325	5.432	30	20	HKED	
C[C@H](NC(=O)Nc1cccc2c1OCCC2=O)c1ccc(-c2cccc(C#N)c2)cc1	543887344	OCMOJEVOULDKGP-INIZCTEOSA-N	411.461	5.073	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(Cl)c(C#N)c1	544592015	RXNURDKQWQZRSQ-UHFFFAOYSA-N	406.917	5.087	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1	552219372	QHZAVMOFKCARBX-MNOVXSKESA-N	421.303	5.661	30	20	HKED	
C[C@H](Oc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12)C(F)(F)F	576496327	YIISWSCYAFLOHD-HNNXBMFYSA-N	415.415	5.527	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2	583114204	ZGWCEGHUIGUVFV-HTAPYJJXSA-N	421.566	5.154	30	20	HKED	
Cc1c(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)oc2ccc(F)cc12	584057318	YZIXXQDKZIKOSE-UHFFFAOYSA-N	416.412	5.261	30	20	HKED	
C=C(C)COc1cccc(NC(=O)Cc2csc(-c3ccc(OCC)cc3)n2)c1	589383010	TWXAWFMANMVLPI-UHFFFAOYSA-N	408.523	5.345	30	20	HKED	
C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](OC1CCOCC1)c1ccccc1	589586025	ZMZLRYJQGFIHSC-BTYIYWSLSA-N	404.432	5.314	30	20	HKED	
Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2)c(C)c1Cl	592974328	QKFYKUIINOPFEM-MRXNPFEDSA-N	424.888	5.381	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CSCc3ccc(F)cc3)c2)cc1	603814301	DNALCPQYNZXZEP-UHFFFAOYSA-N	420.509	5.343	30	20	HKED	
COc1ccc2nc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)ccc2c1	603991592	CQHWEWFBVYZUSE-UHFFFAOYSA-N	411.486	5.194	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C	608920346	SUBOUPFPAYZCRQ-IBGZPJMESA-N	403.448	5.506	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccccc2Cl)n1	608935848	GYCGUPYMGSOCFN-UHFFFAOYSA-N	409.942	5.634	30	20	HKED	
N#CCSCC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	609066094	HAFYAERSKRIYGJ-UHFFFAOYSA-N	401.850	5.015	30	20	HKED	
COc1ccc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	609104352	VKHGCOODUJYEKQ-UHFFFAOYSA-N	422.481	5.016	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc2ccccc2n1CC#N	609186561	VUSJBYWNRCIJHN-AWEZNQCLSA-N	418.497	5.227	30	20	HKED	
CCc1cccc2c(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c[nH]c12	609459909	MMFLHKHXFOWRPT-VWLOTQADSA-N	423.516	5.233	30	20	HKED	
C[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc2O1	609724598	CUICNJRVKVGLBT-OAHLLOKOSA-N	404.853	5.432	30	20	HKED	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	609926884	RGQLTNGFZWQMSQ-OAQYLSRUSA-N	403.551	5.963	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(O)nc4ccc(F)cc34)c2C#N)C1	609966220	PXHGIDSFDLMHMJ-LBPRGKRZSA-N	423.513	5.416	30	20	HKED	
Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1	609997307	JDWBBQWYMXVSRW-QFQXNSOFSA-N	417.553	5.022	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CSC2CCCC2)c1	610122430	UWCYQRBEETVJQM-UHFFFAOYSA-N	409.555	5.023	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@H](C)N[C@@H](C)c3cccc(C#N)c3)s2)cc1OC	610830327	MNVWBDDAVRRMLF-HOTGVXAUSA-N	421.566	5.343	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCc3c(Br)cccc32)c(Cl)c1	611093831	HLTPNUNHYBLOLP-OAHLLOKOSA-N	410.098	5.045	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCc2cc(O)ccc2C1	618360856	XINMNYJTVLWRQF-FQEVSTJZSA-N	413.477	5.044	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)CCCC2=O	645286888	RHTRZBVCEXSCSR-UHFFFAOYSA-N	410.473	5.217	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(CC(F)(F)F)c2)c1C(F)F	676179626	GTMGDJKEXOEWIN-UHFFFAOYSA-N	415.284	5.217	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(Br)c(Cl)c1	682803810	QTYLACOLMRPCPQ-UHFFFAOYSA-N	406.751	6.136	30	20	HKED	
COc1cc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)ccc1OCc1ccccc1	730084878	JORXZGSXPBFXHG-ZRDIBKRKSA-N	412.489	5.098	30	20	HKED	
C=CCN1CCC(NC(=O)Nc2ccc(S[C@@H](C)CC)cc2C(F)(F)F)CC1	730382505	FUYLRTGICMVJGM-AWEZNQCLSA-N	415.525	5.368	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1	730690900	ZWWHDGJLEBTAFM-ZHRRBRCNSA-N	420.827	5.617	30	20	HKED	
COc1ccc2c(CSc3nc(-c4ccccc4)ccc3C#N)cc(=O)oc2c1	733902123	AFHYGKMXGCSAIE-UHFFFAOYSA-N	400.459	5.028	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	739143604	RQXWGNVMNXMFHS-SCLBCKFNSA-N	412.411	5.266	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(COC3CCCC3)cc2)c1	740464219	DPVCYPDDDNLONK-NRFANRHFSA-N	407.514	5.148	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1	742593370	OVDPPZYRFUTSQN-DENIHFKCSA-N	421.541	5.144	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)CCc2nc3cc(Br)ccc3s2)c1	742634027	KOYWCNXLCHLLJR-UHFFFAOYSA-N	413.340	5.026	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@]12CCc1ccccc12)c1nc2cc(C(F)(F)F)ccc2s1	744037585	AHFFGBLJYGLLHW-ZJTDPSCFSA-N	412.436	5.395	30	20	HKED	
CCc1ccc(C(C)(C)C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	750561458	FRFLUSGJIFPIEW-QGZVFWFLSA-N	424.566	5.103	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)s1	750689290	ZVDPIOFQVVEFPP-GXFFZTMASA-N	407.347	6.158	30	20	HKED	
COCc1nc2cc(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc2o1	750989041	HAPKAPWVSYTBAO-HXUWFJFHSA-N	412.449	5.274	30	20	HKED	
N#Cc1cc(F)ccc1NC(=O)c1sc2cc(Br)ccc2c1Cl	751294413	NLLYKHNESWWZSW-UHFFFAOYSA-N	409.667	5.580	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1cc2ccccc2s1	758241801	ITQHKWTZIGWWDO-PBHICJAKSA-N	411.552	5.008	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1	762548826	IVUKADREPIYHQC-UHFFFAOYSA-N	420.444	5.376	30	20	HKED	
CCCCNc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(OCC#N)cc1	763415217	GGAHQLVNUKGAES-UHFFFAOYSA-N	405.420	5.001	30	20	HKED	
Cn1c(CSc2nc3ccccc3s2)nnc1SCCCCC(C)(C)C#N	767033539	NNWVJOSPPKGJIG-UHFFFAOYSA-N	417.629	5.529	30	20	HKED	
Cc1ccn(-c2ccccc2CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1	768971483	VTAKZCMZDJLSOU-XMMPIXPASA-N	421.504	5.158	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(Cl)nc1)c1nc2cc(C(F)(F)F)ccc2s1	772639080	HBVAVDCHRLPCCD-FXZDBVEHSA-N	407.804	5.253	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc2cccnc12)c1nc2cc(C(F)(F)F)ccc2s1	772641054	OOVXXLMZVBHMMU-HNNXBMFYSA-N	411.408	5.282	30	20	HKED	
COc1ccc(CN[C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)cc1C#N	773073361	CQBREECBTHNJJB-GOSISDBHSA-N	409.942	5.511	30	20	HKED	
CC(=O)CCCCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	773982334	FYJBTWDHEVRSMG-INIZCTEOSA-N	423.365	6.223	30	20	HKED	
N#C[C@H](C(=O)C1CCC(C(F)(F)F)CC1)c1nc(-c2c(F)cccc2F)cs1	774069928	RLGAOQSCZMUECB-HTAVTVPLSA-N	414.399	5.633	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc2[nH]ccc2c1)c1nc(-c2c(F)cccc2F)cs1	776083818	CDIUOMFJXGLUNQ-OAHLLOKOSA-N	407.445	5.379	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)Cc2ccccc2CC#N)c1C	776934734	IRQVZYATKAWXRU-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12	780152275	DOPRYYDVGBCHLV-KBPBESRZSA-N	411.914	5.298	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCO1	781762542	FMJJBSZFBVECGO-VHFSOBRXSA-N	402.947	5.481	30	20	HKED	
N#Cc1ccc(-c2cccc(CNc3nn4cc(-c5cccnc5)nc4s3)c2)s1	782327355	IATHMGFKXXGHCR-UHFFFAOYSA-N	414.519	5.065	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)c(-c2ccccc2)n1	788353989	DDSQMGWMQVNQBT-QXMHVHEDSA-N	404.473	5.422	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)n1	788628240	VSUXCXNGRGAHKL-LJQANCHMSA-N	418.566	5.424	30	20	HKED	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C/C(=O)c1ccc(Br)cc1F	794702803	PXOSLFBOIPDOEA-BQYQJAHWSA-N	420.669	5.027	30	20	HKED	
CCc1cccc2c1OC/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O	794728226	MXUDYUBRQFHCFD-LDADJPATSA-N	418.518	5.357	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)NCCCCC(F)(F)F)cc2)c1	794977798	LGJVKZOFTMYOAN-UHFFFAOYSA-N	407.461	5.156	30	20	HKED	
Cc1nc([C@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)oc1-c1ccc(Cl)cc1	795981562	CTEPDSOFFRHIIK-LPHOPBHVSA-N	408.885	5.995	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)Nc2c(F)ccc(C)c2Br)cc1OC	797365726	ICUDPUPQLYQESB-YFHOEESVSA-N	420.278	5.122	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3cccs3)n2)s1	800411624	MIHVUQYKZYDFJE-LBPRGKRZSA-N	415.609	5.780	30	20	HKED	
O=C(/C=C\c1cscc1C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1	811690643	DGTJNRYKWHHJJD-YFHOEESVSA-N	414.470	5.379	30	20	HKED	
Cc1cc(-c2cc(C(=O)N(CCC#N)CC(C)C)c3cnn(C(C)C)c3n2)c(C)s1	836702407	OMMMVMCJNRDUAF-UHFFFAOYSA-N	423.586	5.369	30	20	HKED	
N#CC(CCOC(=O)/C=C\c1cnc2ccccc2n1)(c1ccccc1)c1ccccc1	912958635	WAPBYJDHJJVPSL-NXVVXOECSA-N	419.484	5.086	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc1ccc(Cl)cc1	916900504	PPRYEOPLMIYUHF-IFXJQAMLSA-N	414.958	5.293	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(Cl)cccc2s1	916907811	NMSMTHBADANLDN-MRXNPFEDSA-N	410.926	5.641	30	20	HKED	
CC(=NOCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(NC(=O)C2CC2)cc1	917398500	VUSDSJFKSHTAKQ-UHFFFAOYSA-N	409.873	5.284	30	20	HKED	
CCCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	918476062	ANJRNLVLUXYHKZ-DEOSSOPVSA-N	417.553	5.099	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	919904401	KRCXBLMLYBFLEL-IIBYNOLFSA-N	423.438	6.244	30	20	HKED	
Cc1ccc(/C=C\c2cc(C(=O)O[C@H](C)C#N)c3cc(Br)ccc3n2)o1	920704493	KRMUPUCAZACZAU-SCXUMTSISA-N	411.255	5.138	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)C3(C)CCCCC3)CCC2)cc1	1786679671	GOTMFWJCRKWBLC-UHFFFAOYSA-N	400.588	5.010	30	20	HKED	
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)[C@H](C)CC	1795568708	TZTKXEHXFZMXET-HYOIWIKGSA-N	422.613	5.223	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1	1818806991	YKHJYLRUBMRWHJ-AZUAARDMSA-N	412.578	5.141	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1	1820906139	MYIOIPZNPLNOBN-XYLLXSKMSA-N	424.589	5.307	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccccc2)cc1	22693954	VRHJXOJLMVWLJT-UHFFFAOYSA-O	405.543	5.041	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1	22732105	GNAFCWQQULFVLW-UHFFFAOYSA-O	407.534	5.343	30	20	HKED	
CCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)[C@H](C)c1ccc(C#N)cc1	57386196	ULRSDBMCGRRDIW-CYBMUJFWSA-N	415.971	5.549	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCOCc1ccccc1	97542542	RHUADKMQSDMVMI-UHFFFAOYSA-N	414.505	5.381	30	20	HKED	
N#Cc1ccc(CN(CCC(=O)Nc2ccccc2Cl)Cc2cccc(F)c2)cc1	110984946	DAORZTGDWDZELG-UHFFFAOYSA-N	421.903	5.382	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[nH]c2c1C(=O)CC(C)(C)C2	195621553	HWWSCSDPERRHCU-UHFFFAOYSA-N	413.477	5.395	30	20	HKED	
COc1cc(Br)c(/C=C\C(=O)c2ccc(SC)c(OC)c2)cc1OC	207746544	ZRGQGNSIBBNENM-ALCCZGGFSA-N	423.328	5.093	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)c2)cc1	261462290	HDVCACYCCVNLCA-UHFFFAOYSA-N	413.452	5.133	30	20	HKED	
N#Cc1nc(N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)ccc1Cl	302679551	OJNKEAFHPBXARG-KRWDZBQOSA-N	413.706	5.160	30	20	HKED	
Cc1cn2c(-c3noc(/C=C\c4cn(CCC#N)c5ccccc45)n3)c(C)nc2s1	426583487	HKHORPINPQMVPO-HJWRWDBZSA-N	414.494	5.101	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(SCC#N)c1	429781643	HDBBWBQHXLHKTB-UHFFFAOYSA-N	419.319	5.032	30	20	HKED	
C[C@@H]1Sc2ccccc2N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1C	430656510	TWYSYJKTXBNEQR-CVEARBPZSA-N	401.491	5.275	30	20	HKED	
C[C@@]12CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]1C2(F)F	432476187	MAFFBSIBNTVYGJ-DGCLKSJQSA-N	402.285	5.233	30	20	HKED	
CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1	433382157	CBULOLWYFMRMBS-UHFFFAOYSA-N	419.525	5.010	30	20	HKED	
Cc1cccc(-c2ccc(CNCc3cn(CCC#N)nc3-c3ccncc3)cc2)c1	434982634	MOQRRCKRRJNDSX-UHFFFAOYSA-N	407.521	5.124	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	437786412	CEQFTHREQJRHDB-YADHBBJMSA-N	416.456	5.317	30	20	HKED	
CCSCC[C@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	437951312	WXMCMBMDBDOKRT-INIZCTEOSA-N	415.534	5.272	30	20	HKED	
Cc1csc([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)n1	438063352	QCKBRUOOMNUUCJ-FQEVSTJZSA-N	404.495	5.388	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(S(C)(=O)=O)cc1	442779827	JPMPKKCXEGCPSE-OAHLLOKOSA-N	410.470	5.066	30	20	HKED	
C=CCOc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OC	446842345	VVOGQADERKXFBB-UHFFFAOYSA-N	421.459	5.074	30	20	HKED	
Cc1nnc(SCc2c(C(=O)N(C)c3ccc(C#N)cc3)oc3ccccc23)s1	461527413	VYMJGCWBYREDSP-UHFFFAOYSA-N	420.519	5.033	30	20	HKED	
C=C(C)CN1CCC(NC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)CC1	463803972	ZRFKRSBFRVWYGO-UHFFFAOYSA-N	419.352	5.556	30	20	HKED	
COc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(OCCC(C)C)c1	464404309	IGNYETHUMPVCSL-QGZVFWFLSA-N	406.404	5.024	30	20	HKED	
COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	466104174	XYTVEJSENVOOJU-CQSZACIVSA-N	401.894	5.329	30	20	HKED	
CSc1cccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)c(F)c2)c1	466280803	YCAALIYJBQJICC-JOCHJYFZSA-N	423.488	5.664	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCC[C@H](Cc4csc5ccccc45)C3)o2)cc1	466925614	OTJXQZPQSZIMDQ-GOSISDBHSA-N	414.534	5.278	30	20	HKED	
COc1ccc(C[C@@H]2CCCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)cc1	469463160	RKGDGNPQYDWBKT-NRFANRHFSA-N	415.537	5.049	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1	470757549	SSNNTOZYKQSJSZ-LJQANCHMSA-N	408.486	5.156	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccn(C4CCCCC4)n3)cc2F)c1	470897076	KBZOAAPQGXOTBH-UHFFFAOYSA-N	418.472	5.230	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1nccn1CCc1ccccc1	475577468	FBNSTPRFNYVUHM-UHFFFAOYSA-N	402.542	5.299	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1	476078748	HWQVYKFFGFJSKF-UHFFFAOYSA-N	404.554	6.310	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cc(Br)ccc1N1CCCC1)c1ccccc1	476356172	ZKWKFSJMHKNHMQ-KRWDZBQOSA-N	412.331	5.075	30	20	HKED	
CC(C)(C#N)CC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1	478660875	JQRBDYYGDNFVHT-UHFFFAOYSA-N	401.344	5.016	30	20	HKED	
C=C(C)[C@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccc(F)c(F)c1	478924488	RRHXCLZEDWTKPA-IBGZPJMESA-N	404.432	5.136	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2c(c1)oc1ccccc12	479079294	PRAKRZIOLHZFHU-UHFFFAOYSA-N	400.434	5.264	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]1c1ccccc1	480311755	CKMVWQNZOWNMSG-UQBPGWFLSA-N	411.505	5.557	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCCC[C@@H]1c1nc2ccccc2o1	480587908	MENBNDOGIGQYRJ-HSZRJFAPSA-N	422.488	5.382	30	20	HKED	
CC(C)N(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481593473	GAJKGDMSJIVFMM-UHFFFAOYSA-N	423.513	5.780	30	20	HKED	
O=C(N[C@H]1CCCC(F)(F)C1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	482404843	XDHNMKOSIYNMIU-JOYOIKCWSA-N	404.301	5.186	30	20	HKED	
Cc1ccccc1NC(=O)Cc1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1	485061861	UJLDEUARVVAILW-UHFFFAOYSA-N	418.566	5.167	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1oc(CCC)nc1C)c1ccc(C(F)(F)F)cc1	489758731	WZGGWUJOAIBZQF-KRWDZBQOSA-N	409.452	5.461	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1	511620277	MALCBFIRVLRMPY-UHFFFAOYSA-N	405.523	5.245	30	20	HKED	
CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CSCC#N)cc1	512154994	QLZVKHZKINGSPG-UHFFFAOYSA-N	410.417	5.092	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12	512863984	IDYWYBHIADRKBR-UHFFFAOYSA-N	412.449	5.029	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1	513656311	ZUVKFXDZNMGDOV-KRWDZBQOSA-N	401.516	5.732	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccccc2SCc2cccs2)nc2ccccc21	513686599	BWZWMIXYNUEMET-QGZVFWFLSA-N	403.532	5.417	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2ccccc2s1	513687327	QLJLWBNUSBCSJG-LJQANCHMSA-N	424.485	5.013	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)cc1	513748944	MFOMPNOIADDMRO-HTAPYJJXSA-N	408.498	5.139	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccc(C(C)C)cc1	515171379	AXCBTDAZSFUOIX-UHFFFAOYSA-N	417.534	5.908	30	20	HKED	
CN(C)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CCCCC1	518784861	UYUIJOOSPROWQC-QHCPKHFHSA-N	421.610	5.091	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccc(C(F)(F)F)c1	521352629	BTMBDPSKJSNNQC-INIZCTEOSA-N	414.408	5.321	30	20	HKED	
N#CC1(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CCC1	522984723	HZKOKZAWNWJROJ-QGZVFWFLSA-N	412.320	5.417	30	20	HKED	
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	523161776	UFMPQUDNVLHKAD-UHFFFAOYSA-N	418.884	5.556	30	20	HKED	
C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	524192274	GRHVFJXCRQRFHT-MOPGFXCFSA-N	422.598	5.285	30	20	HKED	
Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)n1	524810124	OBPCXDTWJMZFRA-HNNXBMFYSA-N	408.433	5.353	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)C1CCCC1	533062440	IWPNXUBDIREAMP-UUOWRZLLSA-N	407.583	5.540	30	20	HKED	
COc1cccc(COc2cccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)c2C)c1	533771771	NUVOHBKPXXMVBK-GOSISDBHSA-N	415.493	5.337	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1	534023161	XZZRDMIRWIBGNX-KRWDZBQOSA-N	415.518	5.585	30	20	HKED	
N#Cc1cccc(-c2cnc(CNc3ncnc4scc(-c5ccccc5)c34)[nH]2)c1	537036648	OSIBIDZAOMBHQF-UHFFFAOYSA-N	408.490	5.232	30	20	HKED	
CC1(C)CC[C@@H]2C[C@@H](NC(=O)CCCC(=O)Nc3ccccc3C#N)c3cccc1c32	539578489	HUHZKTOISPMPFX-VGOFRKELSA-N	415.537	5.083	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3Cl)o2)cc1	542004510	NAEAWIYBJWVPNK-UHFFFAOYSA-N	403.847	5.155	30	20	HKED	
N#CCC1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1	542904931	REDLEYUIBCGDMK-UHFFFAOYSA-N	403.309	5.338	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C	549065122	IKXOGZVOXPLJCG-UHFFFAOYSA-N	412.493	5.157	30	20	HKED	
CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)cc1	558055703	WVNXPFPQBQMHEW-UONOGXRCSA-N	421.488	5.201	30	20	HKED	
CCOC1CC2(CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)C1	558304970	FFMYFXTUFJKKJP-UHFFFAOYSA-N	405.498	5.082	30	20	HKED	
N#CCCC[C@H](N[C@H]1CCSc2ccc(Br)cc21)c1ccccc1	559863723	LOZXRPHFRURYMH-OALUTQOASA-N	401.373	6.011	30	20	HKED	
C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	575929840	RCFZJBVHWOMAAC-VQIMIIECSA-N	412.917	5.160	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCn4c(cc5ccccc54)C3)cn2)cc1	588235309	AZRRDYKLWZLDTN-UHFFFAOYSA-N	423.476	5.138	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Sc2ncccn2)cc1C	591510068	WBAUFKYISJECJW-UHFFFAOYSA-N	420.538	5.165	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1	601184637	JHQNHVMFZZZBME-HXUWFJFHSA-N	422.488	5.034	30	20	HKED	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1	603905494	GDZAODTZXSEBHO-QGZVFWFLSA-N	404.466	5.008	30	20	HKED	
N#CCCCOc1cccc(NCC(=O)Nc2cccc(Oc3ccccc3)c2)c1	604008863	WLUREVFKHORPGE-UHFFFAOYSA-N	401.466	5.212	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl	604044822	DEXOBNLMWHAJDD-UHFFFAOYSA-N	404.322	5.010	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c[nH]c2c(C)cccc12	607303356	CDPMWFNAYPCPLX-UHFFFAOYSA-N	415.306	5.135	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCC#N)CCC(C)C	609142937	MZGJHRXVZYHOQP-UHFFFAOYSA-N	409.477	5.539	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(Br)cc3ccccc23)cc1	609414012	RGFVXVDRCBWJFX-UHFFFAOYSA-N	423.310	5.561	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(OC4CCCC4)CC3)cc2)cc1	609502985	STMHVXXGCCKVKV-UHFFFAOYSA-N	404.510	5.109	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609724521	XFFFDVRORPZLDJ-UHFFFAOYSA-N	403.825	5.137	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccco1)c1ccccc1C#N	609967784	GTSNJTNCOQQOFF-MRXNPFEDSA-N	412.411	5.582	30	20	HKED	
Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)o1	610015284	DBIHXHGNNQIBGE-OAQYLSRUSA-N	416.481	5.796	30	20	HKED	
C[C@H](Sc1ccc(Cl)cc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	610654971	LJFLZWURXMPWTL-JTQLQIEISA-N	413.911	6.035	30	20	HKED	
C[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1	611844434	UJTLUUCSXLDCTH-IAGOWNOFSA-N	409.493	5.223	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccn([C@H](C)c2ccccc2)n1	615024782	SAOVDCTZKNBDMO-DLBZAZTESA-N	405.527	5.388	30	20	HKED	
C[C@H](CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F	676873198	WNSZRGOGJGOVOY-VWYCJHECSA-N	417.340	5.484	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	681000718	UNQSQGPPVQWJJP-OFNKIYASSA-N	411.590	5.304	30	20	HKED	
FC(F)(F)c1cnc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1	683927648	NJPZYOXNHMYEIH-RNFRBKRXSA-N	400.310	5.161	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cs1	726458429	CHUYRPNHLUSUAC-GFCCVEGCSA-N	412.971	5.691	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Cl)c1	728061880	CZDLSIGUTVKUNW-QGZVFWFLSA-N	419.912	5.538	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)cc1	728767084	UNUQRDADOUADLC-ZWKOTPCHSA-N	414.452	6.031	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OCC(C)C)cc3)n2)cc1	730395086	IVELGUUAISOZFV-NRFANRHFSA-N	420.534	5.272	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cccc(OC(F)(F)F)c2)cc1OCCCC#N	730949356	UFOGYXIHIHUWSM-CLFYSBASSA-N	405.372	5.172	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3C(=O)O)c2)cc1F	731563857	WWARHGVQWROFIX-PKNBQFBNSA-N	406.409	5.008	30	20	HKED	
CCc1nc([C@@H](C)/N=C\c2cc(Br)cc(Br)c2O)cs1	731938646	WDARIGJRXHTESF-VKAWEIRCSA-N	418.154	5.116	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2)C2CCCC2)ccc1OC	733644724	GGPWQMQGYUIJRK-URXFXBBRSA-N	421.541	5.107	30	20	HKED	
C#CC[C@@H](OC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12)c1ccccn1	733693283	WUXYRNIKIPSJTQ-RUZDIDTESA-N	424.500	5.479	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nc(C)cs3)cc2)c1	733844812	VTMZTUSQHBTSDM-IBGZPJMESA-N	406.511	5.121	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1)c1ccncc1	734665634	NZWOTQANCLEUPS-RPWUZVMVSA-N	419.500	5.130	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3ccc(OCc4ccccc4)cc3)[nH]c12	735792063	GWVVJBMXIHUNTM-XPWALMASSA-N	421.500	5.430	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C/C(=O)c2c(Cl)nc3sccn23)c1	741843445	GFTWZAHAQFTUJY-CMDGGOBGSA-N	419.893	5.396	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SC)c(F)c2)ccc1OCC(F)(F)F	741847902	SDWSMHLAKQTQTG-ZZXKWVIFSA-N	400.393	5.393	30	20	HKED	
CN(CCC#N)c1ccc(CNCc2ccccc2COc2ccccc2Cl)cc1	742374257	SZTPTALYUWGIAB-UHFFFAOYSA-N	419.956	5.559	30	20	HKED	
CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCC1	746827037	BLPUOGRSCSILRR-OAQYLSRUSA-N	419.525	5.118	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Br)cc1)c1nc2cc(F)ccc2s1	749032406	GDLUDUGVRCEPNO-CQSZACIVSA-N	403.276	5.007	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](OC(C)(C)C)c3ccccc3)n2)cc1	754532238	SCNOQUAPZRLDPX-UGKGYDQZSA-N	404.535	5.851	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1OC	756113913	IHUFTNXVTUKPKC-XSLBHYSZSA-N	414.571	5.381	30	20	HKED	
C/C(=C/c1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	756517155	ZBHDWZZUNSPXGV-KOTGUFOOSA-N	407.684	5.398	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C2\Cc3c(Cl)cc(Br)cc3C2=O)cc1	759089645	IBTLTWRJZXUBNA-HOVAHTAHSA-N	402.675	5.216	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	760197238	WQFZKRPSKKQUFT-KDOFPFPSSA-N	408.910	5.549	30	20	HKED	
C[C@@H](OC1CCCCCC1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	761049388	QKSMTNFGEKSICP-IUODEOHRSA-N	410.461	5.619	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cccc([N+](=O)[O-])c1	763946038	WFXLKFLPDYPIIH-YVEFUNNKSA-N	411.870	5.352	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(C(=O)N(CC)CC)cc2)cc1	764800164	KMBZIOZENHPFEJ-SFHVURJKSA-N	400.950	5.151	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1	768971408	VHZQEDTYYCLHAV-XZOQPEGZSA-N	403.526	5.345	30	20	HKED	
N#CCOc1ccc(CN[C@@H](CCSc2ccccc2)c2ccc(F)cc2)cc1	772960539	SXOTUPGGRLZGTP-DEOSSOPVSA-N	406.526	5.741	30	20	HKED	
CC(=O)N1C/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)c2ccccc2C1	778520089	NWHMHLSYLXVXKV-HMAPJEAMSA-N	415.464	5.033	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)nn1-c1ccc(Cl)cc1Cl	780170589	XXICDICICQKZFE-ZDUSSCGKSA-N	415.280	5.031	30	20	HKED	
CC(C)[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Cl)cc1F	781907107	CXRRRUCFTWGNDE-QFIPXVFZSA-N	401.913	5.121	30	20	HKED	
CC(C)(C#N)CCCOC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1	783085795	WCGILKZDILAPSO-VWNXMTODSA-N	418.537	5.040	30	20	HKED	
COc1cccc([C@@H](C#N)NC(=O)c2ccc(C)cc2Sc2ccccc2)c1OC	784098713	UTQWFAUILHWQKD-HXUWFJFHSA-N	418.518	5.158	30	20	HKED	
N#C[C@@H](COC(=O)C1CCC(C(F)(F)F)CC1)Cc1ccccc1Br	786636571	JBYOIQBZWIGSSE-OPFPJEHXSA-N	418.253	5.043	30	20	HKED	
O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1	790237298	XUYURIFOOCLZDS-QGZVFWFLSA-N	400.425	5.030	30	20	HKED	
N#C[C@H](C(=O)Cc1cc(F)c(F)cc1F)c1nc2cc(C(F)(F)F)ccc2s1	793121962	OAERDWSYNSWHPW-SNVBAGLBSA-N	414.330	5.151	30	20	HKED	
COc1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1F	796800164	VKANJHHZQNGTPQ-MRXNPFEDSA-N	414.889	5.420	30	20	HKED	
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CC23CCC(C(C)(C)CC)CC3)n1	796895310	BFNFDXOFBSVBCY-XXUFKVEXSA-N	402.560	5.129	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)s1	797567830	MLZLRIXEIYPNIV-AWEZNQCLSA-N	410.461	5.493	30	20	HKED	
O=C(CC(F)(F)F)Nc1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1	801709528	PKSKGAAMENPVCR-HNNXBMFYSA-N	422.300	5.246	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2CCCC2)cc1	810529332	DOMWYJSMFFQLPW-IBGZPJMESA-N	414.477	5.620	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)CCCCC3=O)cc1	810533859	XRSZPHHQFSHREE-OPAMFIHVSA-N	402.494	5.070	30	20	HKED	
N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1cc(C(F)(F)F)ccn1	813218571	XOJVJAPEYUUEQM-AWEZNQCLSA-N	421.831	5.296	30	20	HKED	
C[C@H](OC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccccc1C#N	842096132	ZBJPAMYNHWGZME-HVCHUGMYSA-N	420.465	5.009	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1c(Br)cccc1[N+](=O)[O-]	864006388	UEZVPQIIRHIDGG-GFCCVEGCSA-N	406.305	5.364	30	20	HKED	
C[C@H](Cc1ccccc1Cl)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	915650584	MODITLULCRULCE-QGZVFWFLSA-N	420.965	5.865	30	20	HKED	
Fc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2nncc3ccccc23)cc1	915914657	TWGDKKWNFHNVKY-UHFFFAOYSA-N	408.440	5.068	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3Cl)n2)cc1	916627175	CWQULAWHQMRKIE-MRXNPFEDSA-N	401.318	5.844	30	20	HKED	
Cc1c([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2ccccc12	916678909	FGCOXCIMQTXKTN-MBSDFSHPSA-N	409.489	6.279	30	20	HKED	
CCCc1sc(C(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1CC	916901722	ONLHRESOGRFAHD-AWEZNQCLSA-N	418.946	5.195	30	20	HKED	
Cc1nc(C#N)c(NN=Cc2sc(Nc3ccc(C)c(Cl)c3)nc2Cl)o1	917555376	PBAVMQAYIQFTQD-UHFFFAOYSA-N	407.286	5.116	30	20	HKED	
C[C@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920143499	XAOFCGLXYXTHBX-BBRMVZONSA-N	423.950	5.692	30	20	HKED	
Fc1cccc(NN=Cc2cc(Br)ccc2OCc2ccccn2)c1	920386407	ZPPWTBMLTJGOEE-UHFFFAOYSA-N	400.251	5.008	30	20	HKED	
CCC1(Cn2c(CCOc3ccccc3)nnc2N2CCC(CC#N)CC2)CCCC1	1292443406	CUNKLKQVFYTAJV-UHFFFAOYSA-N	421.589	5.000	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)n(C)c3)cc2)CCC1	1788795280	BTPQEPWEEMUYBN-UHFFFAOYSA-N	407.558	5.074	30	20	HKED	
C=C1CC(C(=O)N2CCC3(CCCN(C(=O)[C@@H](c4ccccc4)[C@H](C)CC)C3)CC2)C1	1809152671	DTHNFVJAWMTTIU-ZJSXRUAMSA-N	422.613	5.014	30	20	HKED	
C[C@@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)Nc1ccccc1C#N	18655672	VQAVVFGGONJOFR-GFCCVEGCSA-N	406.488	5.172	30	20	HKED	
C=CCN(C(=O)c1cccc(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	25339493	LTGAVLFWPUYRIJ-UHFFFAOYSA-N	404.322	5.653	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(Br)cc1	25732201	XKTFXEPJCMFDFX-OAHLLOKOSA-N	405.295	5.479	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)n1	48787133	FQGHKNZOHZANMI-LJQANCHMSA-N	417.490	5.279	30	20	HKED	
N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)cc1	57598224	ZLUPDCAIQLXTFU-UHFFFAOYSA-N	424.504	5.197	30	20	HKED	
N#CCCn1cc(C(=O)COc2ccc(Br)cc2Cl)c2ccccc21	60874124	GVOWGWXYBKWEBP-UHFFFAOYSA-N	417.690	5.233	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1	65870026	WVWSKHFSUJEMLR-UHFFFAOYSA-N	413.521	5.113	30	20	HKED	
C=CCn1c(SCc2csc(COc3ccc(Cl)cc3)n2)nnc1C1CC1	71843480	PKNGLLVVBBHJFW-UHFFFAOYSA-N	418.975	5.323	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(Cl)s3)n2)cc1	111183274	IDHJQWTXHRGJFQ-UHFFFAOYSA-N	417.943	5.484	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1cc2ccccc2o1	303354115	FVDMYXURLDCFOL-IRXDYDNUSA-N	407.539	5.316	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1c(Cl)cccc1I	410344772	LVPXLEIKQMCDNV-UHFFFAOYSA-N	411.670	5.316	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1	426894868	DZZCNFOIRXOXNB-SECBINFHSA-N	409.886	5.336	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	429850006	SYDJSMRXASHQGB-UHFFFAOYSA-N	413.502	5.200	30	20	HKED	
C=CCOc1c(Br)cc(CN2CC(C)(C)[C@@H]2c2cccnc2)cc1OC	430110344	HVIGFECFZNJKPX-FQEVSTJZSA-N	417.347	5.001	30	20	HKED	
Cc1ccncc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	431982535	RFXVHHGXBIMMJS-UHFFFAOYSA-N	406.873	5.371	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl	432082120	SIQJFPAEYHOUCI-BLLLJJGKSA-N	424.353	5.243	30	20	HKED	
CC(C)[C@@H]1N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC12CCC2	432682726	UPALDXGADBCEEN-QHCPKHFHSA-N	403.526	5.374	30	20	HKED	
N#CCCC[C@@H](NCc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1	433041059	VCZIUQGIDZNLEI-HSZRJFAPSA-N	405.929	5.839	30	20	HKED	
N#C[C@H](CCc1ccccc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	433226157	LNLRBXZPLFJXFC-LADGPHEKSA-N	407.517	5.189	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1)c1ccccc1	435763226	QFXDURNLWSKDFD-GGAORHGYSA-N	420.944	5.568	30	20	HKED	
C=CCn1c(S[C@@H](Cc2ccc(F)cc2F)C(C)=O)nnc1-c1ccccc1C	436186574	QARQVYCQGREUQM-FQEVSTJZSA-N	413.493	5.010	30	20	HKED	
Cc1cccc2nc(C3CCN(c4c(C#N)cnc5c(F)cc(F)cc45)CC3)oc12	436467487	CTJVZBOASLRPCW-UHFFFAOYSA-N	404.420	5.218	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	437750844	JYBPHRJENUHVPN-DNQXCXABSA-N	424.504	5.243	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC([C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1	439129122	HIYUBKFXKCIJCV-UXHICEINSA-N	410.480	5.313	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1ccccc1	439305356	JQYFIKHYNBDSCA-QFIPXVFZSA-N	416.456	5.245	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC1	441648602	UUWSZXKLHPEMHI-UHFFFAOYSA-N	418.419	5.344	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	442808980	JHZSBEVPJUUGAZ-CQSZACIVSA-N	421.428	5.542	30	20	HKED	
C=CCOc1ccc(CNc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1OC	446892391	LDMKJXRZVNOKPW-UHFFFAOYSA-N	418.493	5.133	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Sc3ccccc3C)cc2)n1	448325366	ORQIYDMXBNZWQA-KRWDZBQOSA-N	422.531	5.270	30	20	HKED	
CCCCn1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C	448355228	NGWBVZRVKRAYBW-UHFFFAOYSA-N	421.476	5.225	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(C(F)F)cc2)cc1	462265620	ABCQWIYLHZQLDU-UHFFFAOYSA-N	421.447	5.591	30	20	HKED	
C[C@H](C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1	462544759	NXDASHZTUZZEMI-SJCJKPOMSA-N	414.349	5.490	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2)cs1	463118662	KZDNWORUUDJMDL-UHFFFAOYSA-N	416.531	5.290	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	466141758	HTVMZIDYDPTESH-LBPRGKRZSA-N	417.296	5.875	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NCc2ncc(-c3ccccc3F)o2)cc1F	467271504	OTFCUJNEETUJBI-UHFFFAOYSA-N	403.388	5.896	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	468192337	OVRHUHHOBGYTPK-VHSXEESVSA-N	423.284	5.207	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469745283	PLRODBUPJUNPCB-WBMJQRKESA-N	409.370	5.226	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2c(F)cccc2F)CC1	473681563	YVPYIJNSIIZSPI-HNNXBMFYSA-N	413.493	5.538	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccc(F)cc1	476724748	DGKZAJRBJLDCHV-NSHDSACASA-N	421.419	5.051	30	20	HKED	
CC(C)c1csc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1	478658845	NPNFHKABGUJMJM-UHFFFAOYSA-N	424.501	5.178	30	20	HKED	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	480563407	LZUKMYKZTADBMA-UWVAXJGDSA-N	411.571	6.241	30	20	HKED	
CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)o1	481298979	JTZBDQDEPZYLJC-FOIQADDNSA-N	421.476	5.044	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F	481994890	YMRGQEYJMMQYEL-HXUWFJFHSA-N	413.443	5.279	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	484142104	KOGZYXMESPDPNX-SJKOYZFVSA-N	411.424	5.645	30	20	HKED	
CCc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1C	485345167	SHLNNOXWZSXYHB-RDPSFJRHSA-N	413.525	5.047	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1Nc1ccc(F)cc1F	486198412	MJPOQYYMRWSLHG-UHFFFAOYSA-N	424.476	5.375	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	488697561	DASJGBSGKKNJMH-UHFFFAOYSA-N	420.881	5.146	30	20	HKED	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1sc(-c2ccccc2)cc1C#N	497814018	VUCDOBYYSZUSIM-LBPRGKRZSA-N	400.862	5.485	30	20	HKED	
CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1ccccn1	497895198	BAOREJOCUFNVIB-GAJHUEQPSA-N	419.912	5.012	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1C(C)C	502672727	XDVFFLVYNWDOPI-UHFFFAOYSA-N	405.311	5.932	30	20	HKED	
Cc1cc(Br)cc(C)c1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	503642418	JGXLJXJNEGXIDF-UHFFFAOYSA-N	410.315	5.259	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	504289415	MCUCACUHEXVWFJ-UHFFFAOYSA-N	410.876	5.500	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449149	KULGCDJTPOBVAM-LBPRGKRZSA-N	406.269	5.502	30	20	HKED	
N#C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(C(F)(F)F)c1	505975926	IMBMNNIRLUYBNR-JKSUJKDBSA-N	400.322	5.122	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CN(Cc2cn(CCC#N)nc2-c2ccccc2)C2CC2)o1	506541677	QYYUQDLSECJKDD-WZONZLPQSA-N	400.526	5.345	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(F)cc1OCC(F)(F)F	506841811	RWLPZKZCGJFZCF-UHFFFAOYSA-N	400.347	5.126	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(CCC(F)(F)F)cc2)cc1	507545968	OCROAOXNDBOFHF-UHFFFAOYSA-N	414.349	5.258	30	20	HKED	
C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510023652	OBLDBNIUOPRTDG-VGOFRKELSA-N	403.913	6.220	30	20	HKED	
Cc1cccc([C@@H](NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C(F)(F)F)c1	510470230	HZLGJZAAAMNDGU-FOIQADDNSA-N	421.488	5.079	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510857799	QXGFSUORAXOBQF-UHFFFAOYSA-N	415.468	6.018	30	20	HKED	
C[C@H](C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1c(F)cccc1F	511724703	PIFMPUSLFUBFPG-BJOHPYRUSA-N	409.301	5.090	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(F)cc1	513653928	HXVVBPFVGXYTNH-MRXNPFEDSA-N	404.470	5.235	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc2ccccc2n1C(F)F	515539917	BDBBTPUOFQGUST-MRXNPFEDSA-N	419.456	5.749	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	517474701	TVRSFOZNTMATFY-CQSZACIVSA-N	403.935	5.264	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	517898629	MXXGFCIQTJYTOI-UHFFFAOYSA-N	411.933	5.412	30	20	HKED	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1SCCC#N	518120278	LJFRGRWJPAMGEJ-GFCCVEGCSA-N	411.379	6.118	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1coc(-c2cccc(Cl)c2)n1	518490386	FWXYGXOJAIBOAU-UHFFFAOYSA-N	418.305	5.392	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC	518738888	CXTCOPODIPWGQL-AWEZNQCLSA-N	418.946	5.784	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Cc2cccc(F)c2)CC1	518753095	GYTFIBQZLXGIJN-KRWDZBQOSA-N	411.546	5.707	30	20	HKED	
N#Cc1cccc(/C=C\c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)c1	518835162	DVVJUXMVHRWRDU-FPLPWBNLSA-N	408.339	5.452	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1	520854263	JMWRVXHRMWMIOH-MFMILTCTSA-N	413.518	5.119	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1	521643227	WJWHHRTZMDLCHY-DNQXCXABSA-N	416.452	5.140	30	20	HKED	
CCOc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	522428898	LIJSFSHCJZASPX-UHFFFAOYSA-N	417.484	5.008	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1	523185965	IVIBFKZQMJRHDH-GAJHUEQPSA-N	417.484	5.326	30	20	HKED	
C=CCc1cc(CNC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc(OC)c1OC	523309002	MDOQZYYTMRWQFU-KKSFZXQISA-N	424.541	5.023	30	20	HKED	
COc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c([N+](=O)[O-])c1	523877035	CXTIBXOPLWWZDU-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCc3ccccc32)cc1	524153243	RSOLAAKXXTWOGN-NRFANRHFSA-N	411.505	5.183	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)nc1-c1ccccc1	524816299	JBVLGZIIUPLDIP-JOCHJYFZSA-N	413.521	5.633	30	20	HKED	
CCSCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	525098181	QHZRGRZWLDNKKU-UHFFFAOYSA-N	418.587	6.356	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C(C)C)cc1	527229854	GRSMJPCDCRHAPL-SBUREZEXSA-N	422.573	5.098	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1	532898090	DFFCVOSILIGDPY-SSEXGKCCSA-N	420.582	5.123	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1Cl	533466227	BWVJLDRJDZGAHV-UUOWRZLLSA-N	415.961	5.320	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(F)cc2F)CC1	534162769	LPAPAUVKFKERRH-CQSZACIVSA-N	401.482	5.212	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)cc1F	535302544	JQDOSTVYRFAXMM-UHFFFAOYSA-N	405.351	5.216	30	20	HKED	
C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	539085121	WIJURXZRRSHAOH-PSLIRLAXSA-N	413.308	5.387	30	20	HKED	
C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	540245204	NPVCYGOYDMCHBK-AEFFLSMTSA-N	418.447	5.527	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)c(Cl)c1	542042587	WJJJUDBKESROTL-OAHLLOKOSA-N	418.806	5.072	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1oc2ccccc2c1CSc1cccs1	545297832	FQYWDZMGQDANGU-UHFFFAOYSA-N	420.515	5.919	30	20	HKED	
Cc1nnc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	546837916	NPVZTTYHFOPGSQ-LLVKDONJSA-N	413.890	5.047	30	20	HKED	
N#Cc1ccc(CCc2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cc1	547118622	XHJRRWDFTQTFNK-UHFFFAOYSA-N	402.841	5.234	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1OCCc2sccc21	555989050	YTTTZNIYSSOYFR-IVZQSRNASA-N	404.491	5.301	30	20	HKED	
N#Cc1ccc(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1C(F)(F)F	559559692	OCXXBQXGKNXYOS-UHFFFAOYSA-N	423.398	5.136	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2ccc(SCc3csc(C)n3)cc2)cc1	561863166	DWNZHFQLIGWQJO-NRFANRHFSA-N	407.564	5.301	30	20	HKED	
C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)C1	570475805	XGHQUEPLJMQMHH-DFBJGRDBSA-N	403.526	5.376	30	20	HKED	
COc1cc(CN[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C#N	573847186	FARURJHSMNNCTL-LLVKDONJSA-N	402.338	5.455	30	20	HKED	
N#CCCC[C@@H](NCc1ccc(Br)c(Br)c1)c1ccccc1	575769886	PZOIJMJWWLELAN-GOSISDBHSA-N	422.164	5.736	30	20	HKED	
CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F	578922307	PZBCRTDJRDKAKT-RTWAWAEBSA-N	416.443	5.330	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cnc1C(F)(F)F	581838252	DYJHMLRBGMBBCU-UHFFFAOYSA-N	405.763	5.065	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC(CN(C)Cc3ccccc3)CC2)c1	589739903	AFYHAAJEUNTGPS-UHFFFAOYSA-N	407.558	5.017	30	20	HKED	
CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1)c1ccccc1	591862513	TZFLFGCMXJXTIG-JOCHJYFZSA-N	405.457	5.001	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1	603681205	RWBAKQQTYGYDHK-UHFFFAOYSA-N	400.404	5.039	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc3c(Cl)cccc3s2)cc1	604248729	MQUAREHYHTVHJE-UHFFFAOYSA-N	408.832	5.631	30	20	HKED	
CC(C)(C)c1nc(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1	608847642	VCAOJFSMAZFBBO-UHFFFAOYSA-N	421.541	5.223	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	609046778	LZLOXKMQIZZLPG-JOCHJYFZSA-N	413.477	5.728	30	20	HKED	
N#Cc1ccc(Oc2cccc(NCc3nc(COc4ccc(F)cc4)no3)c2)cc1	609221242	NNBCUKUGMVPSEA-UHFFFAOYSA-N	416.412	5.064	30	20	HKED	
CC1CCC(OC2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc34)CC2)CC1	609384282	DCFODJRNPUDVHG-UHFFFAOYSA-N	415.484	5.272	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1	609558508	FVIFQJDJLUDVKG-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	609617260	YTJLVPXUYVAQCT-YJYMSZOUSA-N	408.889	5.483	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc3ccccc3n2)cc1	609638811	IGKMDDPNCRJEGD-UHFFFAOYSA-N	422.488	5.202	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609722906	DJUBPCQXFHLNHN-UHFFFAOYSA-N	401.853	5.148	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1Cl	609814692	AJXTZIIUCSTPNK-VQTJNVASSA-N	404.922	5.823	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1OC(C)C	609826997	BFRVYGXGJYSWCD-UHFFFAOYSA-N	403.866	5.256	30	20	HKED	
N#Cc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cc1	609981908	WAIWBOBZFKSROF-UHFFFAOYSA-N	421.294	5.081	30	20	HKED	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609991271	OWISEEUWBGVGIJ-UHFFFAOYSA-N	410.477	5.211	30	20	HKED	
N#Cc1ccccc1-c1ccc(Cn2cnc3c(-c4ccccc4)nsc3c2=O)cc1	610288003	JVJMRIVLNYVHDY-UHFFFAOYSA-N	420.497	5.107	30	20	HKED	
N#Cc1cc([N+](=O)[O-])cnc1Oc1ccc(-c2nc3ccccc3s2)cc1Cl	610316837	TZKXYJIUOWUMNU-UHFFFAOYSA-N	408.826	5.584	30	20	HKED	
CC(C)C[C@@H](C#N)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	611250528	FSJAWURIAPEBOR-XUJKWMDPSA-N	424.429	5.163	30	20	HKED	
N#C[C@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc(-c2ccc(Cl)cc2)cs1	613319360	CWYKWDQYPGOLGD-MRXNPFEDSA-N	421.934	6.077	30	20	HKED	
CCCc1c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cnn1-c1cccc(C#N)c1	615290906	OHMMPHIIXUYWQJ-UHFFFAOYSA-N	424.291	5.127	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)c(C)c2)n1	618752526	CMDWKTYNGUZELW-HXUWFJFHSA-N	420.563	5.592	30	20	HKED	
N#Cc1ccc(CNCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1Cl	619748983	UZSKUXHZBCHSTH-UHFFFAOYSA-N	410.304	5.407	30	20	HKED	
CSc1ccc(C)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	642282178	RGKDEEJSJMJPCB-CQSZACIVSA-N	406.454	5.836	30	20	HKED	
Clc1ccc(CON=Cc2cccc(OCc3ccncc3)c2)c2ncccc12	727434001	FUOOYPFCNJUBIS-UHFFFAOYSA-N	403.869	5.413	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	730085643	RQGLKNDZZLNYPN-KTKRTIGZSA-N	402.397	5.207	30	20	HKED	
CCCCCCOCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	730919592	FRTXDQHFIRRMQD-OAHLLOKOSA-N	411.354	5.890	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(-c2ccccc2)cc1	731027975	DIQGFVBZYPEGHV-GOSISDBHSA-N	401.535	5.656	30	20	HKED	
CCOc1ccc(OCC)c(NC(=S)Nc2ccccc2S[C@@H](C)CC#N)c1	731318906	FNOPMQOZOIWOGO-HNNXBMFYSA-N	415.584	5.687	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)N[C@@H](C)c1ccc(Cl)cc1Cl	731320512	KLRFEQGFVNMEJU-STQMWFEESA-N	424.422	6.435	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731961929	DSWWSHMUPUMJDS-AVRWGWEMSA-N	418.562	5.612	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	731972079	JAJKIQYOJSKHJR-VWLOTQADSA-N	409.489	5.402	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1Oc1cccnc1	732714778	XTTRYTJAOBMPPI-WMZJFQQLSA-N	400.434	5.035	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2c(Cl)ccc(Cl)c2Cl)ccc1OC	733330453	WUHPZHLARKBQRW-ZDUSSCGKSA-N	413.732	5.626	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1	734082120	XIRPSGLWUXKFRC-KRWDZBQOSA-N	420.494	5.042	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(-c3ccccc3)nn(C)c2Cl)S1	734752890	LBPRUINOXUAUAE-ATVHPVEESA-N	422.941	5.249	30	20	HKED	
COc1cccc(NC(=O)/C(=C\c2cnc(C(C)(C)C)s2)C(=O)c2ccccc2)c1	736433680	ZKHMSOKOXADTBA-ZHZULCJRSA-N	420.534	5.354	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	739156267	MKWCSNXISORNQC-KDOFPFPSSA-N	414.452	5.884	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3cccc(F)c3)C3CC3)c2)s1	740482958	JVMOEKOBTBGGJB-UHFFFAOYSA-N	405.498	5.300	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1	744038420	UKYQJCUAXYUMOS-FPMFFAJLSA-N	422.378	5.573	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc(C)n(C3CC3)c2C)c1	744761900	RGLDYQABQMGHRB-UHFFFAOYSA-N	423.586	5.213	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1cccc(N2CCOC2=O)c1	745626081	ILEZTMNTEGGPSS-HJWRWDBZSA-N	410.882	5.316	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	745947745	LLUXOIVBCNIBHP-BBRMVZONSA-N	418.440	5.597	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)Cc2cccc(OCC#N)c2)c(C(F)(F)F)c1	760436951	UJOFAIXWQGAQMQ-CQSZACIVSA-N	422.472	5.680	30	20	HKED	
CCn1c(NC(=S)Nc2c(C(C)C)cccc2C(C)C)nc2cc(C#N)ccc21	763295840	ZNFMYNYVWLUDOK-UHFFFAOYSA-N	405.571	5.984	30	20	HKED	
O=C(/C=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(C(F)(F)F)nc1O	764432875	OJINBERHFVKSSY-VZUCSPMQSA-N	417.358	5.420	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)OC[C@H](C#N)Cc2cccs2)c(Cl)c1	772736142	WWWKCYPCOFYBTB-ZDUSSCGKSA-N	420.918	5.288	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccccc2OC(F)(F)F)ccc1OC	772985047	IWUUEYAQRQJGTI-HOCLYGCPSA-N	408.420	5.126	30	20	HKED	
C#CC[C@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1	775401303	RQOVFSXNHVTBSM-QFIPXVFZSA-N	403.551	5.299	30	20	HKED	
COc1ccc2nc(Cl)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2c1	775485312	OWNGTIYDCVBJOO-ZDUSSCGKSA-N	411.914	5.401	30	20	HKED	
COc1ccc([C@H](NCc2ccc(OCC#N)cc2)c2ccc(Cl)cc2)cc1C	779094100	WHHZJGSRYVZRMX-XMMPIXPASA-N	406.913	5.439	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)c1	780725912	KMWHRYGQXDBWHS-SXSPYAJSSA-N	421.541	5.168	30	20	HKED	
CCN1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C\c2ccc3cnccc3c2)C1	782300546	GRJBFJNXLXJOGV-WFBNZKAHSA-N	405.501	5.155	30	20	HKED	
CSCc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	782708183	GMYWUXQCELJDEL-HSZRJFAPSA-N	401.535	5.527	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)c1cc(Oc2cccc(Br)c2)ccn1	784615612	YCXQVQKDUAWZSD-FQEVSTJZSA-N	420.303	5.022	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F	784689174	ALPUUWZERMFOKO-UHFFFAOYSA-N	424.859	5.295	30	20	HKED	
O=C1/C(=C\c2ncc(C(F)(F)F)s2)CC/C1=C\c1ncc(C(F)(F)F)s1	788343568	GKBVYVVQTFWFMZ-KYPMKJFLSA-N	410.364	5.467	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C2CCC2)cc1	791617896	AQGJPGVSEXOYMN-INIZCTEOSA-N	408.523	5.144	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1cnc2ccccc2n1	792108909	DIYHYJGRRVFKGN-WCQYABFASA-N	402.306	5.294	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCC(=O)c2ccccc21)c1nc(-c2c(F)cccc2F)cs1	793124836	KTKNFZBNRUOKNK-LSDHHAIUSA-N	408.429	5.025	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)cc1	796040933	VOTWQSCLNNBXTO-UHFFFAOYSA-N	410.470	5.019	30	20	HKED	
Cc1cc(CCC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1Br	797566376	IIQXGVZHNLVSFS-AWEZNQCLSA-N	405.361	5.321	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3cccnc3)ccc2C)c1	797655059	LYTYYSOXXIJOIU-NRFANRHFSA-N	400.482	5.060	30	20	HKED	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	798010366	JFGXFXXWWDVPLW-ZQIUZPCESA-N	415.386	5.075	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c(OC)c1	800518994	IDRASWJAEMKMNK-NRFANRHFSA-N	401.466	5.312	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	809325914	BYJLHEGAQJBWMF-LLVKDONJSA-N	403.225	5.400	30	20	HKED	
C=CCC[C@H](NC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O)c1ccc(C(F)(F)F)cc1	809733112	WLFJIXMLQNIOOV-AABGKKOBSA-N	417.427	5.133	30	20	HKED	
Cc1cc(Br)cc(NCc2ccc(C#N)o2)c1NC(=O)OC(C)(C)C	816603076	YRKBBKJNRSSSGM-UHFFFAOYSA-N	406.280	5.181	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2ccccc2cc1F	883978878	XFTWSWQQPCGGHV-CHWSQXEVSA-N	407.329	5.618	30	20	HKED	
N#Cc1ccc(N2CCC(c3nc(-c4ccsc4C(F)(F)F)no3)CC2)c(F)c1	904921695	NQWODSQPNJWCNJ-UHFFFAOYSA-N	422.407	5.212	30	20	HKED	
CCCOc1ccc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1OCC	915849043	QKGIXWCJBCTMJJ-XSFVSMFZSA-N	410.539	5.383	30	20	HKED	
Cc1cc(NN=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)nc(C)n1	915970574	HQBQXGBRZOFGAZ-UHFFFAOYSA-N	414.296	5.099	30	20	HKED	
N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)c1ccc2ccccc2n1	916848347	CJVDAYPRWBRGIX-IBGZPJMESA-N	407.311	5.587	30	20	HKED	
COc1ccc(CNC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	917600118	IIMCSJDJAQNYHR-UHFFFAOYSA-N	423.925	5.499	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(C)n1Cc1ccccc1	918586883	OYCWSJAWRWYAKT-UHFFFAOYSA-N	422.488	5.465	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1	920806916	SOJHEPSRZJZWSP-OAHLLOKOSA-N	416.880	5.941	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COC3CCCCC3)cc2)CCC1	1786014708	BEZOHOGJPAXFJF-HSZRJFAPSA-N	424.585	5.238	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccccc34)CCC2)cc1	1791249241	NPLIAHKFTVHMCV-SFHVURJKSA-N	415.537	5.057	30	20	HKED	
C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1	1791576052	SOKYYBRHQZSZKK-GFCCVEGCSA-N	416.593	5.029	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1	1826265106	RXNQPKAAVASRQV-XMMPIXPASA-N	414.634	5.345	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1cccc(C)c1	10167499	RZQPCTJIKSDSCZ-UHFFFAOYSA-O	417.598	6.019	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cc(Br)ccc3Cl)n2)cc1	14497569	ULBHZNMUFZHINV-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
N#CCCN(C(=O)CSc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1	21670115	NNVOJAKZMHIFEH-UHFFFAOYSA-N	424.529	5.336	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1	36333348	HBLUHHHCQDVKDG-UHFFFAOYSA-N	413.502	5.089	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OC(F)F)c1nc2cc(C(F)(F)F)ccc2s1	41548646	ZDEONZMZPWKAGW-NSHDSACASA-N	412.339	5.407	30	20	HKED	
C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1	45850746	SPPRVPLAYSKRER-HSZRJFAPSA-N	414.509	5.094	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	55823538	LZTLVJRYXCBEQR-LJQANCHMSA-N	400.478	5.046	30	20	HKED	
COc1ccc(CC[C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	60137174	YQCOBVODGSFJOG-SFHVURJKSA-N	416.546	5.469	30	20	HKED	
CCSCc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	64715408	GTSKFOZAOCRSPF-HNNXBMFYSA-N	414.502	5.831	30	20	HKED	
COc1cc(C=NOCc2ncc(-c3ccc(Cl)cc3)o2)ccc1OC(F)F	254628196	XUEBOVHEABDPNB-UHFFFAOYSA-N	408.788	5.156	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)Nc3ccc(C#N)cc3Cl)s2)cs1	426140522	PRBJGJBVRYOJTM-UHFFFAOYSA-N	402.932	5.069	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1	426167490	KZHNUROBUBSYGI-GOSISDBHSA-N	402.404	5.292	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1-c1ccccc1	429119415	YSQWJRKYWJIJQB-QGZVFWFLSA-N	400.507	5.306	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)NC1CC(F)(F)C1	429759730	LTCDFSBXOJPGOP-UHFFFAOYSA-N	408.314	5.279	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1)c1ccccc1	433034723	TVSYFYPYZAGOEC-VWLOTQADSA-N	424.548	5.344	30	20	HKED	
CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccnc1	435678291	NYTSDENARPAFNC-HSZRJFAPSA-N	419.912	5.564	30	20	HKED	
N#Cc1ccnc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)c1	436019498	WNEVIAOCMSODMG-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	437750846	JYBPHRJENUHVPN-ZEQRLZLVSA-N	424.504	5.243	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cccc(CC(F)(F)F)c2)cc1	437847286	YTOMCNNYYZAEHD-UHFFFAOYSA-N	417.431	5.250	30	20	HKED	
Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cnn1CCC(C)C	441567065	DHRDNDNMYDAARB-UHFFFAOYSA-N	404.539	5.513	30	20	HKED	
CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	441890205	BFJPZSMVUWRDHJ-GOSISDBHSA-N	423.479	5.017	30	20	HKED	
N#CC1CCC(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)CC1	442113971	JGEBAOMUFXFNFN-MYKUNDNFSA-N	415.459	5.305	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c2ccccc21	444138839	FWGXRDZPVMVOLF-UHFFFAOYSA-N	412.449	5.043	30	20	HKED	
COc1cccc(F)c1[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	460456407	IRCDXCLTQPBJGM-OAHLLOKOSA-N	406.482	5.348	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1cc(C(F)(F)F)ccn1	464407171	GEPLGGVSXUVZRN-AWEZNQCLSA-N	400.381	5.211	30	20	HKED	
CCC(CC)(CCO)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	467610862	ORIBWVZADBXEGN-FQEVSTJZSA-N	413.949	5.306	30	20	HKED	
C=CCOc1ccc(CN(C(=O)c2cccc(Oc3cnccn3)c2)C(C)(C)C)cc1	467888852	VBNIRZDCAMPAFK-UHFFFAOYSA-N	417.509	5.275	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1C	469450890	VRUVMHJHSLIAPM-UHFFFAOYSA-N	414.509	5.046	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc2)c1	470362422	NLDLBGSEBUHENA-UHFFFAOYSA-N	417.513	5.452	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)N(CC(F)F)c1c(C)cc(Br)cc1C	472034584	FYLFQEDEMXEHSH-UHFFFAOYSA-N	407.258	5.158	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cc1	472684310	GFNZWGUZUWGCOL-JPYJTQIMSA-N	421.516	5.255	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1	474432965	LTGOYFDVZMTOOO-QGZVFWFLSA-N	407.451	5.457	30	20	HKED	
CCN(Cc1ccccc1Br)C(=O)Nc1ccc(C(C)(C)C#N)cc1	477508403	HOZUOAPOPYTSKZ-UHFFFAOYSA-N	400.320	5.304	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccccc2)CCCCC1	477645461	PZUBKAYQLDBLQL-LJQANCHMSA-N	407.583	5.326	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccncc3Br)c2C#N)C1	479067597	XUWZNIIOXIPRAO-LLVKDONJSA-N	418.360	5.181	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(COCc2ccco2)c1)c1ccc(F)c(F)c1	480397400	WAAYTYSSYNBEEF-QFIPXVFZSA-N	412.436	5.714	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(C)c2cccc3ccccc23)nnc1-c1ccco1	480670275	DAMFFYUFQDJTBW-UHFFFAOYSA-N	418.522	5.023	30	20	HKED	
C=CCN(C(=O)c1ccc(C)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	482238587	DDMLYODDCJMGPI-UHFFFAOYSA-N	413.886	5.513	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1cnc2ccccc2n1	483188918	BSMUFUQFZVQDKY-HNNXBMFYSA-N	421.428	5.450	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)n1	483708349	HWXBILGSVISZMS-INIZCTEOSA-N	410.445	5.266	30	20	HKED	
N#CC1(CCCN[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)CCOCC1	499620512	UCXLCQFNIIWYAA-NRFANRHFSA-N	403.353	5.773	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1F	505942199	GTNZHWKTUZLISV-KRWDZBQOSA-N	420.296	5.180	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	506583105	FOIMVVRUIZLCFM-INIZCTEOSA-N	404.539	5.802	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	507828249	UMWVWHXEGDFREJ-MRXNPFEDSA-N	424.932	5.301	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1	509247535	PTSNWFTZEXNQDE-UHFFFAOYSA-N	420.538	5.094	30	20	HKED	
CC1(C#N)CCN(C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CC1	509410593	KIDWABZAVGBNEG-IBGZPJMESA-N	403.309	5.266	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCc1nnc(-c2cccc(Cl)c2)o1	510183411	UZHVMISSILDYNC-UHFFFAOYSA-N	404.882	5.616	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cc(C)c(O)c(C)c1	510744225	DRHMOEODPPGAQI-UHFFFAOYSA-N	401.466	5.303	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(CN(CCC#N)CC(C)(C)C)cs1	513751123	XFRHRAKRFBIXOO-UHFFFAOYSA-N	404.967	5.243	30	20	HKED	
N#Cc1cccc(COc2cccc(NCc3ncc(-c4ccc(Cl)cc4)o3)c2)c1	515665025	AEJGUSWYHGGPKM-UHFFFAOYSA-N	415.880	6.058	30	20	HKED	
Cc1ccccc1CN1CCC(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	518169232	PEDVBOIRYYCGAK-SFHVURJKSA-N	422.598	5.033	30	20	HKED	
CCSCc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	518176547	UEZARUYWZJDYIJ-INIZCTEOSA-N	423.563	5.019	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)Nc2cc(C#N)c3ccccc3n2)cs1	518251086	FKJNDMWPROJGFP-UHFFFAOYSA-N	416.531	5.416	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	519122531	KVQFOVOIXNFKOE-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1	520131981	ZDZUMJPOTWXBBH-QGZVFWFLSA-N	416.550	5.449	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CSc4ccccc43)cc2F)c1	522816454	GEYVCBIRWHTSHM-IBGZPJMESA-N	404.466	5.104	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)cc1	523423017	GMYLGFMNZPAHOW-QFIPXVFZSA-N	421.541	5.551	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3ccc(CC#N)cc3)s2)cc1	523559274	OEBZGSYCVIMMNL-KRWDZBQOSA-N	404.539	5.718	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	524028300	MKDHTSWIWNLSPU-FQEVSTJZSA-N	401.535	5.137	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccccc1)c1cccs1	524205199	WSXHDSPSLJNDRE-NRFANRHFSA-N	421.522	5.338	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1	530877109	CSICNDVGFMWBPT-CQSZACIVSA-N	407.150	5.026	30	20	HKED	
C=CCC[C@@H](NCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1ccccc1	539357703	CQNIKYUJKADNGU-HSZRJFAPSA-N	402.542	5.033	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	539468570	UGKZIYSFFREYHG-GOSISDBHSA-N	403.511	5.038	30	20	HKED	
CC1CCC(OC2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)CC1	539832893	AKMDAMLLVOXQMM-UHFFFAOYSA-N	406.574	5.023	30	20	HKED	
Cc1c([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nnn1-c1ccccc1	542107102	ZBIPROFPBPRPLT-RTBURBONSA-N	407.521	5.526	30	20	HKED	
N#Cc1ccc(Cc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)cc1	546476316	PPUHATPUMCKOKY-UHFFFAOYSA-N	422.366	5.405	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1OCc1csc(C)n1	553115832	DQWUHAKZSKHJQL-UHFFFAOYSA-N	424.570	5.026	30	20	HKED	
N#Cc1cc(Br)ccc1CSc1nnc(-c2c[nH]c3ccccc23)o1	553717709	JBFXAEIWALFKFL-UHFFFAOYSA-N	411.284	5.144	30	20	HKED	
CSCC[C@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	554837032	KWASZHBQGGEWPY-KXBFYZLASA-N	401.963	5.601	30	20	HKED	
CCCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CCc2ccccc21	555007939	VUNJRTLAAMMFRL-DEOSSOPVSA-N	412.493	5.677	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1	557727844	KQVAPABTZHFNLG-CQSZACIVSA-N	408.502	5.291	30	20	HKED	
CCOc1ccc(Br)cc1-c1noc(C[C@H](CC#N)c2ccccc2)n1	561880554	NHLKBNVHIUQLBR-HNNXBMFYSA-N	412.287	5.138	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	562113785	IGMBVFWNCSRRRR-MHECFPHRSA-N	424.504	5.426	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1	563246711	AQNGFQSFFLBCNB-QVKFZJNVSA-N	417.937	5.694	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1Cl	564074094	ZXFDWBRYSXKLRB-SFHVURJKSA-N	415.802	5.662	30	20	HKED	
C=CCn1c(SCc2ncc(C)cn2)nc2scc(-c3ccc(C)cc3)c2c1=O	565853447	FCPZLZCTRIFEAD-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
C=CCC[C@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1	571692630	KGVZPSVPNKVNFX-UXHICEINSA-N	401.428	5.589	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccccc1	571955663	DMIZRBOCPBJLQG-NRFANRHFSA-N	407.905	5.141	30	20	HKED	
N#Cc1ccc(N2CC[C@H](Sc3nnc(-c4ccccc4)c4ccccc34)C2=O)cc1	589722524	PDYYJMFRZYHMTC-QFIPXVFZSA-N	422.513	5.066	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)c(Cl)c3)n2)cc1	603557628	FZHHMVOZAKGUMN-UHFFFAOYSA-N	404.278	5.006	30	20	HKED	
Cc1c(C(=O)N(CC(C)C)c2ccc(C#N)cc2)sc2nc(C(F)(F)F)ccc12	603559121	HEDKDJGPUFXEGR-UHFFFAOYSA-N	417.456	5.798	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)cn2)cc1	604242394	NWVCYGDUQGYKEG-UHFFFAOYSA-N	406.804	5.272	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OC4CCCCC4)CC3)cn2)c1	604522825	CKWXNJKYIXGJBX-UHFFFAOYSA-N	420.513	5.091	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@H](C)c2ccccc2)cc1	608996063	RQKSISVZJALXFJ-SFHVURJKSA-N	415.493	5.627	30	20	HKED	
N#CC1CCN(C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1	609306497	YJPXTXRWBFYWJR-IBGZPJMESA-N	405.350	5.589	30	20	HKED	
CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2SCCC#N)CC1=O	609378781	RZJASNNQYCLPHD-MSOLQXFVSA-N	421.566	5.197	30	20	HKED	
CCCCN(CCOC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609469407	IPAZRRZHCHIIDA-UHFFFAOYSA-N	415.921	5.071	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(CC)cc3)n2)cc1	609518153	WJUQTSUBPYLKEF-UHFFFAOYSA-N	419.550	5.261	30	20	HKED	
Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	609617259	YTJLVPXUYVAQCT-ORAYPTAESA-N	408.889	5.483	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1	609730932	IGLRXHPUOWWYAH-NRFANRHFSA-N	403.869	5.376	30	20	HKED	
N#C[C@@H](NC(=O)CCc1cc(Cl)cs1)c1ccc(OCc2ccccc2)cc1	609911547	MZNGUQKWAOHCKZ-OAQYLSRUSA-N	410.926	5.294	30	20	HKED	
N#Cc1ccc(C[S@](=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F	616181864	CZKIARUVTCIIAD-MHZLTWQESA-N	418.320	6.042	30	20	HKED	
COc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	620847319	UCLMKJZGRFNOOE-GFCCVEGCSA-N	410.804	5.467	30	20	HKED	
C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674423054	QAWGDEUOFXCALT-XXILOJSOSA-N	422.291	5.149	30	20	HKED	
Cc1ccc(C(=O)C2CCN(C(=S)Nc3ccc(C#N)c(Cl)c3)CC2)c(C)c1	726459440	JUXRWQDXQWETEZ-UHFFFAOYSA-N	411.958	5.120	30	20	HKED	
Clc1nc(Oc2ccccc2)sc1C=NNc1ccc(Br)cn1	727263261	UNAYCTPNCCJYRK-UHFFFAOYSA-N	409.696	5.192	30	20	HKED	
CC(C)Cc1ccc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)c2cccs2)cc1	728713153	ONRSCXYQJSWQRA-KBMIEXCESA-N	404.579	6.117	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1	731038414	QNCSCKDJHFLSOP-AREMUKBSSA-N	400.497	5.310	30	20	HKED	
Cc1nc2ccccc2c2c(NC(=O)Cc3ccc(OCC#N)cc3)c3ccccc3n12	731962113	DYNVFKQOUXLROV-UHFFFAOYSA-N	420.472	5.033	30	20	HKED	
CC(CCc1ccc(F)cc1)=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	733080191	GTGPRGISXBTHJM-UHFFFAOYSA-N	403.383	5.117	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2C)cc1	733622448	SXOREKVLRWRGJX-UHFFFAOYSA-N	400.482	5.614	30	20	HKED	
CCCN(C(=O)NCc1cccc(O[C@@H](C#N)CC)c1)[C@H](C)c1cc2ccccc2o1	733806084	XDTILLXSHPQWOA-WIYYLYMNSA-N	419.525	5.797	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Oc3ccccc3)c2)c1	733844184	HJYCFIURLXAILB-HXUWFJFHSA-N	401.466	5.482	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccncc1	734657200	XGBFXGAILMSMMW-JPYJTQIMSA-N	414.509	5.012	30	20	HKED	
O=C(Nc1ccc(SC(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	735364649	XVGJEWYTOWOETP-UHFFFAOYSA-N	408.314	5.350	30	20	HKED	
Cc1cccc(NC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1	741390190	DPXNKNWBCBDNLF-AREMUKBSSA-N	424.548	5.759	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2Cc2ccc(OCC#N)cc2)nc1-c1ccccc1	746462328	GPLTUZNYPTUAGW-QFIPXVFZSA-N	401.510	5.704	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1C	750914622	ZULQTOLEQFSBDI-ZHACJKMWSA-N	417.340	5.276	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ncc(-c3ccccc3F)o2)cc1OC	754276873	SUNCNJHPOXGTDQ-UHFFFAOYSA-N	404.825	5.092	30	20	HKED	
C[C@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	756244691	VNXSUOQJLPYBGA-IUODEOHRSA-N	403.429	5.175	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1Br	758183014	HTCRKHFONPTRLV-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)c2)cc1	758598904	QBZBVWFCJPIYHG-KNQAVFIVSA-N	417.465	5.064	30	20	HKED	
C[C@@H](OC(=O)c1ccc(CC#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21	758696385	OPNUSCAYZMFNMQ-MRXNPFEDSA-N	414.486	5.127	30	20	HKED	
N#Cc1cc(NC(=O)CCCc2cc(Cl)sc2Cl)c(Cl)c([N+](=O)[O-])c1	764315051	KYJNZUSTIDCALJ-UHFFFAOYSA-N	418.689	5.450	30	20	HKED	
CC(C)CCN(CCC#N)Cn1nc(-c2ccncc2)n(C2CCCCC2)c1=S	764972062	VHGPGYIHSCMXTK-UHFFFAOYSA-N	412.607	5.201	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1NC(=O)OC(C)(C)C	772545027	FFYVGAXGKXPIHV-GOSISDBHSA-N	401.466	5.380	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)OCc3ccc(C4(C#N)CC4)cc3)c12	777145797	HDNKWNCNHLTLQG-UHFFFAOYSA-N	401.466	5.136	30	20	HKED	
C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)cc1	777302529	OPVFVOJYEOODFR-FOIQADDNSA-N	418.880	5.050	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCSCc1ccnc(Cl)c1	779611849	NZOCRJOFQJEBNA-AWEZNQCLSA-N	420.991	5.184	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)CCCCc1ccc(Br)cc1	780162007	VTFNGSCHWXGRSA-HNNXBMFYSA-N	401.304	5.091	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ccccc1O[C@H](C)C#N	780162478	WZAQKVDGCGIXIG-OAHLLOKOSA-N	405.523	5.321	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1	789451331	WAYKWETWQGYWGO-SFHVURJKSA-N	405.542	5.548	30	20	HKED	
C[C@]12CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C[C@H]1C2(Cl)Cl	791185868	UENUKBMOWXQCCC-QUCCMNQESA-N	419.283	5.146	30	20	HKED	
CCC1CCC(N(CCO)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	792732564	HWHYQIDFCZQLQS-PBSMCPNCSA-N	405.542	5.137	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)Cc3csc4ccc(Br)cc34)[nH]c12	796717531	CLYQLJLNNUKDFX-OAHLLOKOSA-N	424.323	5.268	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccc1F	797568533	JPVDLQMEZTXUMQ-CYBMUJFWSA-N	417.506	5.417	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cc3c(C)nn(C)c3s2)ccc1OCC(F)(F)F	806578858	MUMZPMXDLASWGD-FNORWQNLSA-N	424.444	5.179	30	20	HKED	
N#Cc1ccc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)o1	815244621	JMUXVIOQFHIDKV-UHFFFAOYSA-N	417.412	5.347	30	20	HKED	
Cc1c(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)sc2ccc(C#N)cc12	815814125	XSSVVVGTJNPEEI-HKUYNNGSSA-N	408.523	5.183	30	20	HKED	
CCCOc1c(Cl)cc(C=NOCc2nnc(-c3ccccc3)o2)cc1OCC	826120540	GHRJQSFZPNGGEM-UHFFFAOYSA-N	415.877	5.128	30	20	HKED	
O=C(CC1CCCCC1)NC1CCC(C(=O)N(O)Cc2cccc3ccccc23)CC1	901370315	WQKTWYCIENZMOF-UHFFFAOYSA-N	422.569	5.203	30	20	HKED	
COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1F	915353938	ZUGSFQDTJNLMOO-IIBYNOLFSA-N	403.457	5.372	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)/C=C\c3ccsc3)s2)c(C(F)(F)F)c1	916056836	ZISLCPSIWPRIRU-RQOWECAXSA-N	419.453	5.338	30	20	HKED	
C=CCOc1ccc(/C=C(\Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc1	916127792	HTCYBKCCEWFIEE-YBEGLDIGSA-N	406.791	5.244	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C3/CSc4ccccc4C3=O)c2)cc1	916154913	XTFMEOKTPADRCN-AQTBWJFISA-N	401.487	5.320	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc(F)ccc2s1	916886152	FVIDBZHCJKLCLO-AWEZNQCLSA-N	420.437	5.316	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1	917042604	DBSWAJSXQCBHMH-CQSZACIVSA-N	408.832	5.778	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2ccccc2C)c1=S	917436978	PZWUPJWDUMBJPQ-UHFFFAOYSA-N	408.571	5.064	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)[nH]n1	1819557842	YWDWMQPIVJJDCD-NQIIRXRSSA-N	422.573	5.198	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc(C)cc(C)c1C#N)c1ccccc1	5641957	JYXLJZFKZDCNGZ-QFIPXVFZSA-N	417.534	5.359	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1Sc1ccccc1	11619687	IJIJNZUSYJTCIG-UHFFFAOYSA-N	405.548	5.504	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc(C)nc2sc(C)c(C)c12	22168403	AWGIOBMRWPKGTC-CQSZACIVSA-N	417.625	5.373	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccco1	29991239	NRHHZVOTWWCCSS-HNNXBMFYSA-N	410.543	5.141	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	48124703	KPSISXGVFBITQL-UHFFFAOYSA-N	409.486	5.360	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(OCCCC#N)c2)cc1	55567999	BPPGBYNHIVTPHV-UHFFFAOYSA-N	405.523	5.291	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1	166116276	DIVZKAQVVDPIQG-WYMLVPIESA-N	415.489	5.307	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)CC(=O)N2C)c1ccc(C(F)(F)F)cc1	433425682	SMFPFHCQICUKJV-GOSISDBHSA-N	417.431	5.053	30	20	HKED	
CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	433926331	KJSKTCIAIRHVKG-QUCCMNQESA-N	403.486	5.028	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(OCC4CCCC4)CC3)cc2)cc1	434154568	RTCMNYBULJEDQT-UHFFFAOYSA-N	418.537	5.356	30	20	HKED	
CSc1c(F)cccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	435776266	CQFQBBOAOAMIHR-NSHDSACASA-N	404.438	5.439	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)cc1	435970387	WNGDNLKLLUDMDB-ICDZXHCJSA-N	410.542	5.309	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cs1	438051553	POHIDOAFAWQELQ-CABCVRRESA-N	418.588	5.299	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1	438838706	DFMSXKBUOVMNTF-OXJNMPFZSA-N	422.529	5.663	30	20	HKED	
CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	439323027	FIQUMFCEXYLDGZ-FDDCHVKYSA-N	411.571	5.133	30	20	HKED	
N#C[C@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc2cc(Cl)ccc2s1	442671247	LLQYZVKFGZAXOS-OAHLLOKOSA-N	420.881	5.367	30	20	HKED	
CN(C(=O)NCC1CCC(C#N)CC1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	442722537	PXYVFVIDAXQHET-XWTGJVNOSA-N	413.924	5.540	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1	460769487	JLHFIENZOSFCCI-QGZVFWFLSA-N	412.484	5.047	30	20	HKED	
C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1	460963169	XNNHFCNEONMOPV-UHFFFAOYSA-N	413.447	5.077	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)o2)cc1	463879411	PUCUUQJQQNSAJI-UHFFFAOYSA-N	400.478	5.064	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)NC3CCC4(CCCCC4)CC3)ccc21	470547585	DZUXDKBRXFXXAF-UHFFFAOYSA-N	422.573	5.284	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1	471250007	KOLYEWDDZFDMOC-UHFFFAOYSA-N	403.482	5.451	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C(F)(F)F)o1	471759667	PCGZDMCWYZQYNP-KRWDZBQOSA-N	418.802	6.168	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	474952624	JJEWZMFXQAHVAD-UHFFFAOYSA-N	411.480	5.341	30	20	HKED	
C=CCOc1ccccc1CNCc1cc(-c2c(OC)ccc3ccccc23)no1	478328323	POIXFXUEVDIOFM-UHFFFAOYSA-N	400.478	5.358	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](c2ccsc2)O1	478864218	AGDIIRKCQUEWBW-OPAMFIHVSA-N	404.491	5.014	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc2)cs1	479577196	NVSZCFICEABFHQ-UHFFFAOYSA-N	413.955	5.546	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccsc3)no2)nnc1-c1cccc(Cl)c1	481340383	NXIKOTJZJKVROX-UHFFFAOYSA-N	415.931	5.188	30	20	HKED	
N#C[C@@H](NC(=O)CSc1nccc2ccccc12)c1cccc(Cl)c1Cl	481801645	AJHCSMJLHVLREB-MRXNPFEDSA-N	402.306	5.015	30	20	HKED	
O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CCC(C(F)(F)F)CC1	482375393	JELWCRAJEZVVGZ-GFCCVEGCSA-N	422.291	5.293	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCc1nn(-c2ccc(F)cc2)c2c1CCC2	486194628	DNWUZZVODMRCAL-MRXNPFEDSA-N	406.530	5.364	30	20	HKED	
Cc1cc(C)c(NC(=O)Nc2cccc(OCCCC#N)c2)cc1Br	486361111	PKPDDIFCQPVDLD-UHFFFAOYSA-N	402.292	5.393	30	20	HKED	
C=CCC[C@@H](C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)c1ccccc1	490266657	CWZWDWRHLFBXOC-LOSJGSFVSA-N	418.581	5.037	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1OCC(F)F	497535248	DBHIXQHETGTPAP-FUHWJXTLSA-N	419.859	5.288	30	20	HKED	
CC(C)Oc1cc(Br)ccc1C(=O)Nc1cccc(OCCCC#N)c1	498777420	BEHSEOZWKAKHPT-UHFFFAOYSA-N	417.303	5.171	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Br)cc2C(F)(F)F)n1	499286618	BJPPQRZXZOOKQY-NSHDSACASA-N	417.250	5.538	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1Cl	504340422	BCLBMLMKXRDQJL-KRWDZBQOSA-N	419.893	5.964	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1	505016186	CRRFFMHGCJLGSI-UHFFFAOYSA-N	408.542	5.151	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)c1	505998002	YEEZRPZTEXRMSN-QHCPKHFHSA-N	423.491	5.159	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(Br)c1Cl	506699398	BHXBUDRKMWBQOX-DOTOQJQBSA-N	403.707	5.014	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)cc1	508239121	DGWRIPYWOOLAOO-LJQANCHMSA-N	418.453	5.025	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1	508660238	IJHHVBJIEMILOI-SHTZXODSSA-N	408.926	5.193	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1	509096747	PNCPUNVRVIAFHL-UHFFFAOYSA-N	415.518	5.444	30	20	HKED	
Cc1c(C#N)cccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	509459601	NPFMUKNAIQEAFT-DEOSSOPVSA-N	409.489	5.096	30	20	HKED	
O=C(Nc1cccc(C(F)F)c1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	512907340	PGDSTDXRKWGZTR-ZDUSSCGKSA-N	410.289	5.651	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	513333975	SCPROECFVQODDW-IIBYNOLFSA-N	402.523	5.221	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n1	513654601	MLYOWUTYFOQVDR-QGZVFWFLSA-N	404.388	5.767	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	513782722	KHOVWOZURBLMJM-CQSZACIVSA-N	407.445	5.014	30	20	HKED	
Cc1ccc(-c2cc(C(=O)NCC(C)(C)CCC#N)c3cnn(C(C)C)c3n2)s1	515084745	CPVALPRPZLVEET-UHFFFAOYSA-N	409.559	5.109	30	20	HKED	
N#Cc1ccc(CNc2cccc(NC(=O)c3cccs3)c2)c(C(F)(F)F)c1	517060825	OXTSCRAYPPVVGZ-UHFFFAOYSA-N	401.413	5.503	30	20	HKED	
C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)Nc1ccc(CC#N)cc1	517114462	PTPHYXADFZUCCD-KPZWWZAWSA-N	416.344	5.120	30	20	HKED	
Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1NC(=O)c1ccco1	519422786	LBGGMWOVAZSALG-OAHLLOKOSA-N	419.506	5.344	30	20	HKED	
C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	520514562	OFMZENLRYVWAMC-IERDGZPVSA-N	423.944	5.019	30	20	HKED	
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1F	520837208	MTSMYKABFFKNJG-ZDUSSCGKSA-N	410.436	5.983	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1	522433950	NSMCDVJKUBEANQ-HNNXBMFYSA-N	400.320	5.002	30	20	HKED	
CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc(C)nc21	522486872	YATIAFYEFDMACQ-QAPCUYQASA-N	415.522	5.324	30	20	HKED	
Cc1cc(C(=O)N(C)C[C@H](C)C#N)ccc1N[C@H](C)c1cc(Cl)ccc1Cl	524973535	ALYNBQGBHWYTIR-UKRRQHHQSA-N	404.341	5.707	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1	525024268	NRNNUCAZEMQNER-LEWJYISDSA-N	418.443	5.352	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1)C1CCCC1	533062294	FSVBETNYMOGILE-HOYKHHGWSA-N	407.583	5.398	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1	534872424	NESURWNDFQJLPX-FQEVSTJZSA-N	410.517	5.332	30	20	HKED	
N#Cc1c(Cl)cccc1SCC(=O)Nc1ccc(Br)cc1Cl	536697720	FZQFDGWTVKBOTB-UHFFFAOYSA-N	416.127	5.358	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(NCCCC2(C#N)CCOCC2)c1)c1ccccc1	537507675	OMRDMCMGCCDANH-UHFFFAOYSA-N	411.933	5.129	30	20	HKED	
N#CCc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1	543151193	CIKMDGOGPVPZOA-DEOSSOPVSA-N	404.897	5.056	30	20	HKED	
N#Cc1ccc(C(=O)N(c2ccccc2)c2ncccc2Br)cc1Cl	548616452	CIQIIEFSCAZUEE-UHFFFAOYSA-N	412.674	5.348	30	20	HKED	
CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(F)(F)F	548939487	GFPAOPYEMXHLLE-UHFFFAOYSA-N	405.420	5.042	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1	552137223	HRNBIYFJQUPODG-UHFFFAOYSA-N	423.605	5.712	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(CN4CCCC4)c3)n2)cc1	554319413	AOCWXEZDNVVGAJ-NRFANRHFSA-N	401.535	5.204	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	557587401	BCBIPKQNBDSPQU-UHFFFAOYSA-N	419.308	5.292	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(Cc2ccccc2)nc1C	557609647	YVBAQMKGDCDYOO-UHFFFAOYSA-N	408.571	5.038	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F	588875310	CXCIFHLSCMRZCR-UHFFFAOYSA-N	403.404	5.370	30	20	HKED	
Cc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	589543414	FUQBKKAAXWTASZ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
N#CCCC[C@@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1	590477838	CRZTUMTXXLGYLP-WOJBJXKFSA-N	418.566	5.064	30	20	HKED	
CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1	603705762	UBWDIVXZMXNAIU-HSZRJFAPSA-N	419.569	5.138	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2cc(Cl)ccc12	604506022	FHWDPNYOQRXTKZ-UHFFFAOYSA-N	408.933	5.103	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4ccc(F)cc4)cc3)CC2)c1	609184781	AWHCPXWWPRAEPJ-UHFFFAOYSA-N	416.452	5.173	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccc(C(F)(F)C(F)(F)F)cc1	609232741	HTXGUTCVYMBWEA-UHFFFAOYSA-N	415.387	5.007	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCc3sccc3C2)cc1	609339240	UQRFCZLRZHANSZ-UHFFFAOYSA-N	419.506	5.401	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3SCCC#N)c12	609375337	JVESYOKTHYGDST-UHFFFAOYSA-N	406.511	5.311	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	609387165	QSGQNIMIMYGIFV-CYBMUJFWSA-N	423.460	5.159	30	20	HKED	
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	609436848	HMFDETCAQNKVAP-WSTZPKSXSA-N	408.571	5.038	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1-c1ccccc1	609501635	CAYCNENYIBRJBK-UHFFFAOYSA-N	405.457	5.689	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3ccccc3N3CCCC3)cc2)cc1	609521508	LUJWQHQPLFTTSC-UHFFFAOYSA-N	411.505	5.075	30	20	HKED	
COc1ccccc1[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	609982129	ACOWRBGNBPWXIR-NRFANRHFSA-N	412.489	5.183	30	20	HKED	
C[C@H](SCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OC(F)(F)F)cc1	610218013	QMGAECXMCZAPFW-LBPRGKRZSA-N	405.401	5.501	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(N[C@@H](C)c3cccc(C#N)c3)c([N+](=O)[O-])c2)cc1	610340375	OWDOAXXJAORFAB-INIZCTEOSA-N	400.438	5.200	30	20	HKED	
CC(C)(C)OCc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1	610624713	XXQLSQFTXXPQRH-UHFFFAOYSA-N	401.466	5.313	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cc(Br)c(F)cc1Cl)c1ccccc1	610973539	VBMUCPIVZZJALX-HNNXBMFYSA-N	410.674	5.408	30	20	HKED	
COc1ccc(C#N)cc1CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1	612538941	DEWFZHGBEHZGLE-INIZCTEOSA-N	413.237	5.113	30	20	HKED	
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N1CCC[C@@](C)(C#N)C1	613503609	SXFCKLFWYOQJCX-QFIPXVFZSA-N	410.905	5.058	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)sc2nc(C(F)(F)F)ccc12	614381649	SUAAWISWSVHVMS-AWEZNQCLSA-N	411.408	5.662	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	642157226	PARWQHDRZUVAJA-QWRGUYRKSA-N	407.276	5.345	30	20	HKED	
O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674443165	DXVRPSIVTGBCIP-IYBDPMFKSA-N	421.312	5.431	30	20	HKED	
COc1ccc(C(C)=NN(Cc2ccccc2)Cc2ccccc2)cc1NC(C)=O	726423704	IYZMWPXDRCEKTP-UHFFFAOYSA-N	401.510	5.080	30	20	HKED	
Clc1ccc2cccnc2c1CON=Cc1cccc(OCc2ccncc2)c1	727435090	PLWOHWOSVHBHCK-UHFFFAOYSA-N	403.869	5.413	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	730422223	QUIJOAUGTGQSRP-AWEZNQCLSA-N	410.861	5.073	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1	731223601	IECABZNKDNGYMB-AOYPEHQESA-N	423.516	5.034	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCCC3(CCCCC3)C2)c1=S	732191061	OJIIMGNNOOVWEK-UHFFFAOYSA-N	412.603	5.279	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1	734240331	MPDMKZBBFGUHSC-RDPSFJRHSA-N	413.562	5.011	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C)c1ccncc1	734667968	VJXOVBJXHACHKQ-KXBFYZLASA-N	410.518	5.330	30	20	HKED	
N#C[C@H](NC(=O)/C=C/c1ccnc2ccccc12)c1ccc(OCc2ccccc2)cc1	735469462	AWGQQWMBWPCJPH-UMEWRJQLSA-N	419.484	5.208	30	20	HKED	
N#Cc1ccc2ncc(/C=C/C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2c1	736434883	YLMFEQRJVFXEPW-NSCUHMNNSA-N	409.289	5.140	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	739153920	AEVXTODLVIQEJY-KBXCAEBGSA-N	414.452	5.884	30	20	HKED	
N#Cc1ccc(CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cc1	742255482	WDIDBKMOTFQQKP-UHFFFAOYSA-N	416.480	5.735	30	20	HKED	
Cc1cc(C)cc(-c2ccc(CNc3ccc(N4CCC(O)CC4)c(C#N)c3)cc2)c1	742385975	QMZTUJHVSWQWOW-UHFFFAOYSA-N	411.549	5.415	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Br)s1)c1nc2cc(F)ccc2s1	747117407	PKNGNPSXFZCZIM-GFCCVEGCSA-N	423.332	5.459	30	20	HKED	
N#CCC[C@@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1)c1ccccc1	749221852	PWEDUWVBOFLURV-PKTZIBPZSA-N	419.550	5.038	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)n1	750742178	LPEMPKTXLOWITJ-WFASDCNBSA-N	415.971	5.825	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(Br)c1OC(F)F	750901755	XAKSJWSYNQXRKS-FPYGCLRLSA-N	413.214	5.051	30	20	HKED	
Cc1ccc(N(C(=O)c2ccccc2OCC#N)c2nc3ccccc3s2)c(C)c1	751107669	MLGNTKAQQYQSQJ-UHFFFAOYSA-N	413.502	5.794	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C2CC2)nc2ccc(C)cc12	751251355	DCZVCWMZRHDFRF-UHFFFAOYSA-N	406.489	5.170	30	20	HKED	
CC(C)COC(=O)Nc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1	752655927	IZAJNHCHDGBTBM-VXKWHMMOSA-N	420.513	5.195	30	20	HKED	
Cc1c(C(=O)/C=C\c2cnc(-c3ccccn3)s2)cnn1-c1cccc(Cl)c1	753144691	QOJQGMIYDMKACL-HJWRWDBZSA-N	406.898	5.249	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCc1ccc(OCC#N)cc1)C1CC1	754920300	UBIGDZPVVONFNW-HNNXBMFYSA-N	417.431	5.043	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1NC(=O)OC(C)(C)C	755757858	KLVAODCDANTMNH-UHFFFAOYSA-N	421.541	5.133	30	20	HKED	
Cc1ccc(N2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1C	759928421	VHSXNDRZZIQJEZ-LJQANCHMSA-N	408.571	5.052	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)Nc3ccc(F)cc3OCC#N)cs2)cc1	760786545	UEOBEKYOYCXBRB-UHFFFAOYSA-N	409.486	5.156	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cs1	763290654	RSYLXLVJQUQCEI-CIPMJJFUSA-N	418.493	5.667	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C	763882841	YRLUOHNZIBGPBY-YLJYHZDGSA-N	415.578	5.306	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)c(Cl)c([N+](=O)[O-])c1	764303141	VOOGOGDOFJTWMZ-UHFFFAOYSA-N	412.232	5.693	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccccc2C(F)(F)F)nnc1-c1ccccc1C	764703289	DAYZPKONYPSFGC-GOSISDBHSA-N	419.472	5.284	30	20	HKED	
CCOc1ccc(C(=O)/C=C/c2csc(-c3ccc(OC)cc3)n2)cc1[N+](=O)[O-]	765615362	FRPCDYJTSOZLTG-JXMROGBWSA-N	410.451	5.022	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@H](C#N)c1nc3cccc(C)c3[nH]1)oc1ccccc12	768127221	NRISQXORMCFNGG-MRXNPFEDSA-N	410.433	5.025	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)CCC3)cc1	772960847	WRZACUYMQBYKPV-IERDGZPVSA-N	419.550	5.449	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cn(C)c2ccccc12	774008517	WOGXZROAHVNKPN-KXBFYZLASA-N	410.502	5.153	30	20	HKED	
N#C[C@@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1ccc2ccccc2n1	774039568	XZNASVKJOHUNDF-GOSISDBHSA-N	421.294	5.227	30	20	HKED	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NOC2CCCCC2)cs1	777460099	VFKTUHZOWHKBEW-UHFFFAOYSA-N	411.449	5.530	30	20	HKED	
C=CCn1c(SCc2ncc(Cl)nc2Cl)nnc1-c1ccc(Cl)cc1	779370648	RTZAHJNQSIGORO-UHFFFAOYSA-N	412.733	5.174	30	20	HKED	
CC(C)[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1	780668013	PVEAZALSMCVFDU-IFXJQAMLSA-N	405.420	5.515	30	20	HKED	
COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1csc(-c2ccc(OC)cc2)n1	787177084	DXZXTVNAYPFGBR-UXBLZVDNSA-N	413.882	5.155	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1cc(F)cc(C#N)c1	796795558	FCKHYERXIILTEY-SFHVURJKSA-N	423.900	5.628	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)c1ccc(C#N)o1	796934646	PNCXTIMOALCDKA-LLVKDONJSA-N	417.284	5.264	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CO[C@@H]3CCCc4ccccc43)n2)cc1	797549424	JHUVLZVVRJZQBS-NZQKXSOJSA-N	402.519	5.389	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C	808753650	YLLMXFUQHYKTAC-DABDWFRDSA-N	423.513	5.237	30	20	HKED	
N#Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(/C=C3\Cc4ccc(C#N)cc4C3=O)c1)C2	811693550	JCBBVUDPIHTUJK-WDBPGAOMSA-N	412.448	5.075	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1	915087482	UDHPQKPJYJGOEG-LJQANCHMSA-N	420.896	6.602	30	20	HKED	
Sc1nnc(-c2cccs2)n1N=Cc1cn(Cc2ccccc2)c2ccccc12	916314288	UFDOSBJARXCWNX-UHFFFAOYSA-N	415.547	5.181	30	20	HKED	
Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc(C)c1OC(F)F	916546265	IZKNXCKHFSNXNK-UHFFFAOYSA-N	422.888	5.324	30	20	HKED	
Cc1ccc2c(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)coc2c1	917045560	YCXBJKQASKJBTP-HNNXBMFYSA-N	414.408	5.789	30	20	HKED	
CCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1	917560201	SJGZHBLYFXLTOG-NTEUORMPSA-N	420.534	5.821	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1	918021839	QDJRUBNOUMOQDQ-VWLOTQADSA-N	405.501	5.908	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)CCC3)cc2)C1	1785803485	MSRVAWKEIRBQOR-XZOQPEGZSA-N	418.512	5.030	30	20	HKED	
C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)C2	1801638145	GKVDWVDSUGQPOW-LVQVYYBASA-N	416.974	5.019	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccccc1F	11170721	AITHDWCOIZOMFI-UHFFFAOYSA-O	415.460	5.005	30	20	HKED	
Cc1ccc2[nH]c(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)nc2c1	12260367	BRFGDPURHYTCNK-UHFFFAOYSA-N	407.543	5.007	30	20	HKED	
C=CCN(C(=O)c1cc(-c2cccc(F)c2)no1)c1nc(-c2ccccc2)cs1	36760169	LFFDIGVDRKOZIW-UHFFFAOYSA-N	405.454	5.437	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	41554325	NFMJYWFULLQFRF-AWEZNQCLSA-N	405.376	5.162	30	20	HKED	
COc1c(C)cnc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C	58642418	MNCURRNBXAGAGU-UHFFFAOYSA-N	416.481	5.035	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cc(Br)ccc1Br	58891643	PHOBIYATSSTUIJ-UHFFFAOYSA-N	424.136	5.432	30	20	HKED	
COc1ccc(C(=O)CCCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	65852469	FKPGUOQWCREWRK-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1F	106839653	NLXQUBRWRAUMKA-UHFFFAOYSA-N	417.227	5.159	30	20	HKED	
CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2ccccc21	303289907	MFSTZSWMUVTWID-OAHLLOKOSA-N	410.568	5.039	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1	303390435	YBCVCQWABPDXMA-UONOGXRCSA-N	422.381	5.677	30	20	HKED	
CC(C)(c1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1)C(F)(F)F	433862060	IGHFKGLPLJQEKW-MRXNPFEDSA-N	414.349	5.540	30	20	HKED	
N#CCCn1cc(CN2CCCCC[C@H]2c2ccc(Cl)cc2)c(-c2ccncc2)n1	435126917	SJPYSTDMAKNVOH-QHCPKHFHSA-N	419.960	5.629	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1	436451239	IZEUYGRZFVNHED-OAHLLOKOSA-N	402.800	5.128	30	20	HKED	
Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	437904511	BZJJOEPNRCTMIR-UHFFFAOYSA-N	401.510	5.666	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	437958623	WENNZBAQIZZTCX-SFHVURJKSA-N	405.420	5.030	30	20	HKED	
CCCc1c(NC(=O)C[C@H](C)c2ccc(F)cc2F)cnn1-c1cccc(C#N)c1	440105719	YTEJMJHKHVJXDQ-HNNXBMFYSA-N	408.452	5.107	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	442676789	BLAUQVROMVYOHC-KRWDZBQOSA-N	419.893	5.917	30	20	HKED	
CCN(Cc1ccc(OC)cc1OCc1cccnc1)[C@@H](C)c1ccc(C#N)cc1	447744512	YGPKCLDVKBQYCG-IBGZPJMESA-N	401.510	5.124	30	20	HKED	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)C1(C#N)CCCC1	460332769	OGGDAIDBILKQJF-UHFFFAOYSA-N	404.489	5.754	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCOC3(CCCCC3)C2)cc1	461339188	IZCMNDGLFXBISI-UHFFFAOYSA-N	406.551	5.026	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1	461672841	NPCIQYUMPSPROH-UHFFFAOYSA-N	417.513	5.125	30	20	HKED	
N#Cc1cc(F)ccc1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1	462779068	QCSWBJBTLDDZJW-UHFFFAOYSA-N	403.457	5.107	30	20	HKED	
Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1	464042035	ANFZYXQMDMWUDX-PKTZIBPZSA-N	414.505	5.447	30	20	HKED	
CCCCOc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OCC	464423660	DRRRZRPIAPVHFQ-MRXNPFEDSA-N	406.404	5.168	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	465428204	UUDPXUZQPIVFII-IBGZPJMESA-N	421.378	5.563	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccccc2)cc1	469276496	FPGPBXJCDGBCNL-HXUWFJFHSA-N	409.533	6.110	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(C#N)cc3C)C2)n1	470423101	WZYCENGLADSZJF-SFHVURJKSA-N	417.534	5.019	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CNc1ccccc1SC[C@H](C)C#N	475178377	YKDIOFFZQMTMOZ-MOPGFXCFSA-N	407.583	5.178	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1	476163669	UZZMBRCAYDJSLW-UHFFFAOYSA-N	411.502	5.458	30	20	HKED	
C=CCNC(=O)Nc1ccc(N[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc1	477576527	OJMJUEBBNCFDEV-HNNXBMFYSA-N	410.905	5.784	30	20	HKED	
C=C(C)[C@H](NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(F)c(F)c1	477740956	DDFLAQYHEKCMQQ-CZAAIQMYSA-N	419.541	5.026	30	20	HKED	
C[C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(-c2cccc(C#N)c2)cc1	477924995	GWOVWOQXOGXOQU-KRWDZBQOSA-N	422.463	5.312	30	20	HKED	
CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(C#Cc3ccccn3)c1)CCC2	478774188	RSZKWVZKORALEN-OAQYLSRUSA-N	416.550	5.042	30	20	HKED	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	480563408	LZUKMYKZTADBMA-ZWOKBUDYSA-N	411.571	6.241	30	20	HKED	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	480794827	CPGQOGMIEFKXBC-IFXJQAMLSA-N	403.404	5.545	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(CCCC)no2)nnc1-c1cccc(Cl)c1	481386201	HNBORQDXCSZQRC-ZDUSSCGKSA-N	403.939	5.363	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1	481599481	TUUVRWLATGWKLF-UHFFFAOYSA-N	403.507	5.382	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccc(F)c(F)c1	483286285	QEFFVAZWCPTDTE-OXQOHEQNSA-N	406.498	5.034	30	20	HKED	
COc1cc(C#N)cc(OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)c1	486079837	QIEKXKUXARVJSB-UHFFFAOYSA-N	421.522	5.212	30	20	HKED	
CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1-c1ccccc1	488228809	IJXTVDHTCKLONG-MRXNPFEDSA-N	412.415	5.209	30	20	HKED	
C=CCn1c(SCc2cc(F)cc3cccnc23)nnc1-c1cccc(OC)c1	488920031	ZOGGKPVXUIXQBX-UHFFFAOYSA-N	406.486	5.119	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F	490863023	QLKQJMMJTBHSGW-FQEVSTJZSA-N	417.431	5.178	30	20	HKED	
CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1	499117312	KVNWAPDAPOZLTQ-HNNXBMFYSA-N	406.473	5.420	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)c1	501114184	CHTNUQDLSQJEKY-UHFFFAOYSA-N	406.470	5.473	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccc(CC#N)cc2)nn1-c1c(Cl)cccc1Cl	504359653	NMYUSMXMFSGRSK-UHFFFAOYSA-N	414.296	5.016	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	504540935	JWBCGALHXZVWLX-AWEZNQCLSA-N	407.342	5.416	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)n1	505292876	AMVDHTOQYMCAAS-AWEZNQCLSA-N	409.923	5.872	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1C(F)(F)F	517529989	LSAVZNZURXJMLN-CQSZACIVSA-N	407.461	5.764	30	20	HKED	
CC(C)n1ncc2c(C(=O)N(CCC#N)CC(C)(C)C)cc(-c3cccs3)nc21	517832957	NTKFZVBNADYZQD-UHFFFAOYSA-N	409.559	5.143	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	520481224	RAAMWAIRJJRHHC-UHFFFAOYSA-N	424.957	5.701	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc1Cl	520514226	AEOUSDNXUKTRRH-LJQANCHMSA-N	413.864	5.089	30	20	HKED	
Cc1sc(NC(=O)c2oc3ccccc3c2CSc2cccs2)c(C#N)c1C	520691460	SBAKDRGUVUGPDJ-UHFFFAOYSA-N	424.572	6.589	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc(OC)c1	520937658	GBXQMWAHEDBIIW-UHFFFAOYSA-N	417.465	5.032	30	20	HKED	
N#Cc1cc(NC(=O)N2CCCCC[C@H]2c2ccco2)ccc1OCC(F)(F)F	523021788	XAXZPFULHVWQIJ-INIZCTEOSA-N	407.392	5.242	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H](N3CCCC3)CC2)c1	523163942	JGEALHSXNBTMEG-IBGZPJMESA-N	423.944	5.094	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	524664378	MMAUYJFVTFJIHA-UHFFFAOYSA-N	414.490	5.624	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl	525063807	COPPBYRDPIOUHM-UHFFFAOYSA-N	405.951	5.150	30	20	HKED	
C=CCN(C(=O)Cn1cnc(C)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	532551775	QHEOVGQMGZTWAM-UHFFFAOYSA-N	421.353	5.149	30	20	HKED	
COc1cc(CN2CCC[C@@H]2c2cccc(C)n2)ccc1OCc1cccc(C#N)c1	533024502	MABUGURPIZRCHZ-XMMPIXPASA-N	413.521	5.186	30	20	HKED	
C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc(Oc2ccccc2)c(F)c1	538167900	SILLMBIAFGONBN-HNNXBMFYSA-N	409.486	5.231	30	20	HKED	
N#Cc1ccsc1NC(=O)CN[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21	539333145	WERZJXBWMVWTLP-GMAHTHKFSA-N	401.535	5.009	30	20	HKED	
COc1ccc(-c2csc(NC(=O)c3ccc(C4(C#N)CC4)cc3)n2)cc1Cl	539592657	NGHMFVPBDNVDOL-UHFFFAOYSA-N	409.898	5.280	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(Br)c(F)c1	540417338	LFRZSGSIQUNPIR-RHSMWYFYSA-N	420.257	5.031	30	20	HKED	
CSc1cc2c(cc1NC(=O)c1ccccc1Oc1ccccc1C#N)OCCO2	540853108	AYRVITLAWXHUPP-UHFFFAOYSA-N	418.474	5.096	30	20	HKED	
C[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1ccc(-c2cccc(C#N)c2)cc1	541070068	PMDMIWWTRDXRGU-KRWDZBQOSA-N	416.525	5.106	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CCCO)c2)cc1	542918187	XOQOKXGSJXFAEP-UHFFFAOYSA-N	402.519	5.028	30	20	HKED	
COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	543327772	ZCUDCYQOCYOCMH-ORAYPTAESA-N	403.404	5.201	30	20	HKED	
N#C[C@H](C(=O)c1ccc(N2CCCCCC2)nc1)c1nc2cc(Cl)ccc2s1	544815765	WQUAMARGKMYVPS-MRXNPFEDSA-N	410.930	5.215	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C	546708800	IUSUVBIIDAMAOJ-INIZCTEOSA-N	420.538	5.532	30	20	HKED	
CCCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](C)c1cc2ccccc2o1	549944810	NYEHSNSTPLFMFZ-CYBMUJFWSA-N	401.388	5.332	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H]3CCCCC[C@H]3c3ccc(Cl)cc3)o2)cc1	551424629	MHDXNNLTFDOKCN-SFTDATJTSA-N	406.917	5.468	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)cn2)cc1	554298839	OVHKANSQVDKGPA-UHFFFAOYSA-N	411.433	5.099	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O)c1ccccc1	554763716	IUTXOIBOTZGDHX-QFIPXVFZSA-N	419.500	5.173	30	20	HKED	
CC(C)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	555007372	FVBXJQAPPVQYCE-UHFFFAOYSA-N	400.482	5.436	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)N[C@H](CC(F)(F)F)c1ccc(F)cc1	555021068	PSWREMZMENWEEF-CQSZACIVSA-N	410.289	5.381	30	20	HKED	
Cc1cccc(CCCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	557072258	BOTJSHUONMHOMY-UHFFFAOYSA-N	405.885	5.070	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)o2)cc1	557510999	OZEOEIXISGECGX-RBZQAINGSA-N	412.489	5.139	30	20	HKED	
CC[C@@H](c1ccccc1OC)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	558181859	TXFYPHWFBQSYJI-PXNSSMCTSA-N	411.571	5.111	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)cc(OC)c1OC	560786692	CZPPKIKJMIQHBJ-UHFFFAOYSA-N	404.438	5.232	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(C(C)(C)C)cs1	562109688	WJDZGFGGVLWMGJ-CQSZACIVSA-N	421.526	5.382	30	20	HKED	
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1I	581325156	JYFPKMNFZXIIDU-HNAYVOBHSA-N	404.295	5.377	30	20	HKED	
COC1(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCC(c2ccccc2)CC1	588169430	OCILSWRFFCTLPY-UHFFFAOYSA-N	417.336	5.338	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F	588875625	UPYILAKYWAVMBR-UHFFFAOYSA-N	421.394	5.509	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)c2cccs2)CC1	592479239	RGBSLONFPIIHAR-MBSDFSHPSA-N	411.615	5.301	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)cn2)cc1	603690156	XJWKQGQBRYQGSN-JOCHJYFZSA-N	413.481	5.290	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCCc1cccc(C(F)(F)F)c1	608917908	AGCYSBKEWFSNTC-UHFFFAOYSA-N	403.448	5.130	30	20	HKED	
CCCN(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1cc(Cl)ccc1C#N	609286135	LFKQBNMKDLEHLT-UHFFFAOYSA-N	405.281	5.083	30	20	HKED	
COc1ccc(Cl)cc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N	609388015	BGSLUUITUAUBTA-CQSZACIVSA-N	420.987	5.615	30	20	HKED	
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)NCc1ccccc1Cl	609432404	JJEILBJSSHWTNJ-MRXNPFEDSA-N	405.885	5.121	30	20	HKED	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609434522	UUVPHYCRXPGQQO-HNNXBMFYSA-N	407.420	5.854	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(O)CCC(C(C)(C)C)CC1	609555648	YRCZBYZWPGUMPT-CSZIGFGKSA-N	403.592	5.027	30	20	HKED	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cc3ccccc3n2CC#N)cc1	609577258	HAVUIIJJTACSKS-AREMUKBSSA-N	422.532	5.374	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc2ccccc21	609587702	PMKCJDRVKIHRCI-UHFFFAOYSA-N	418.456	5.758	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2CCSc3ccccc32)sc2c1-c1ccccc1CC2	610224963	PIZBDGJLBZPKJH-QGZVFWFLSA-N	402.544	5.603	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)oc1C	610591542	OHHZDLIARILEAI-FCHUYYIVSA-N	400.482	5.262	30	20	HKED	
CCOc1ccc2c(c1)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)CCO2	614169687	KQOVFGWZLKQSQO-YJBOKZPZSA-N	411.527	5.125	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(CCC(F)(F)F)cc1	622355113	QZQOMUGNMDRNEN-UHFFFAOYSA-N	424.316	5.108	30	20	HKED	
O=C(NC[C@@H]1CCCCC(F)(F)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	644112013	KMGWBCOWWJDZCW-NDBYEHHHSA-N	424.376	5.411	30	20	HKED	
Cc1c(NC(=O)c2ccccc2)cccc1NC(=S)Nc1ccc(C#N)c(Cl)c1	726471140	BIIHESRJSKAOIN-UHFFFAOYSA-N	420.925	5.581	30	20	HKED	
COc1c(C)cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1C	726627197	OTBRCQWEYILJTG-IUXPMGMMSA-N	414.939	5.243	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1	728697326	NVMWQKVEOODDLM-ZABGRMTBSA-N	423.266	5.157	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc2ccccc2n1C(F)F	728765782	RNNGSSKESYQVCL-KBPBESRZSA-N	407.342	5.344	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12	730486583	IVRMNFHLZAZAOS-UHFFFAOYSA-N	407.517	5.476	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3ccccn3)n2)cnn1-c1cccc(Cl)c1	731565532	SEBFGOPGVGFGNK-CMDGGOBGSA-N	406.898	5.249	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)O[C@@H](C)CC#N)cc12	733708216	OAIYPWIXYLAQPC-JTQLQIEISA-N	408.310	5.220	30	20	HKED	
CC[C@@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1cccs1	734374766	AWJPVFSNJADJQC-HXUWFJFHSA-N	421.591	5.945	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1)c1ccncc1	734682960	HXNUEBMLLIHNSQ-LJQANCHMSA-N	421.463	5.098	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Br)ccc2C)cc1	744028459	KYVYLZJHEMGYED-IBGZPJMESA-N	413.315	5.061	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1	744064479	XCQGHDPDGFKQJN-PKTZIBPZSA-N	423.541	5.798	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2SC(F)F)cc1C#N	752162534	WAXRSZFGUPBKOY-UHFFFAOYSA-N	406.414	5.085	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc2ccccc2n1)c1nc(-c2c(F)cccc2F)cs1	752181046	MJVUWCPUQBFMPH-OFAQMXQXSA-N	417.440	5.526	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4ccc(F)cc4)CC3)cn2)c1	752638729	RPRBIXYRPHYVEG-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc1C#N	752795741	IJYANBWCBIIYDR-CQSZACIVSA-N	424.888	5.917	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCCCSc3nccs3)cc2)c1	758601654	GRFSENDQFSIORN-UHFFFAOYSA-N	410.524	5.111	30	20	HKED	
N#C[C@@H](C(=O)CCn1ccc2cc(Cl)ccc21)c1nc(-c2ccncc2)cs1	759267265	ILUSGLJKZADNPN-KRWDZBQOSA-N	406.898	5.080	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3cnc(C4CCC4)s3)SC2=S)cc1Cl	760217381	VELGAENVNACATK-CHHVJCJISA-N	417.968	5.341	30	20	HKED	
N#Cc1cccc(COc2cccc(CNC3CCC(O)(c4ccccc4)CC3)c2)c1	760648955	JROGCHFATCTIEG-UHFFFAOYSA-N	412.533	5.057	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccc(Br)cc1Cl	765613890	OTCBBYNYPIDVLB-FNORWQNLSA-N	405.704	5.517	30	20	HKED	
C#CC[C@@H](NCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccccc1	775400190	MLNXKGAULBEDEO-JOCHJYFZSA-N	403.551	5.244	30	20	HKED	
N#CCOc1cccc(NCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)c1	779587548	BKKAQWBCWKIYOS-INIZCTEOSA-N	404.310	5.073	30	20	HKED	
Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2O[C@@H](C)C#N)c1	780162291	DLEUMSJUSVZNOF-IBGZPJMESA-N	400.478	5.046	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1	785878885	NGASTTSYUAZILD-UHFFFAOYSA-N	411.505	5.049	30	20	HKED	
COc1cc(C(=O)/C=C\c2cnc(-c3ccc(Cl)cc3)s2)c(OC)cc1O	789141149	BDYXFZUGXOKLHR-FPLPWBNLSA-N	401.871	5.082	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	792924548	DLFZBVORUVAHOZ-DHZHZOJOSA-N	424.840	5.106	30	20	HKED	
COc1ccc(-c2nc(S[C@H]3CCc4cc(Cl)ccc43)nc(O)c2C#N)cc1	795202949	HULOMLVPRZLXMF-SFHVURJKSA-N	409.898	5.162	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCc2cccc(Br)c2)s1	797567399	HQJBUQBJHAVQPQ-OAHLLOKOSA-N	405.361	5.402	30	20	HKED	
C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)Cc1c(C)noc1C	802550387	YFVPKUYKUWYWSU-UHFFFAOYSA-N	423.561	5.106	30	20	HKED	
C[C@H](Nc1nc(Cl)c(C#N)s1)c1cccc(NC(=O)Cc2ccccc2F)c1	804352474	UEMXBGBIBZWVKU-LBPRGKRZSA-N	414.893	5.162	30	20	HKED	
N#Cc1sc(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)nc1Cl	804553652	YKJPAGITJIWFAW-UHFFFAOYSA-N	402.734	5.161	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1	810263587	QLCYHOXQRFSHEU-DHIUTWEWSA-N	405.542	5.181	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccc(F)c(Br)c1	813057839	RTZYRCNWBBRTKA-AAEUAGOBSA-N	417.303	5.568	30	20	HKED	
CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1	914693140	MNLMMOACCCNNSP-UHFFFAOYSA-N	410.461	5.258	30	20	HKED	
N#C[C@H](C(=O)c1ccc2nc[nH]c2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	915102606	ADKRAQJBYQFQRB-CYBMUJFWSA-N	413.289	5.483	30	20	HKED	
C=CCN(C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1)C(C)C	916716254	LYIFKOVWPUYEOI-UHFFFAOYSA-N	419.884	5.168	30	20	HKED	
CCc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1	916948184	SKZZWHMHNWWHGT-VGSWGCGISA-N	404.510	5.073	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	917751311	ZUXJOPTUWZRWNS-HIFRSBDPSA-N	421.349	5.250	30	20	HKED	
COc1cccc2c1OC/C(=C\c1csc(COc3ccc(Cl)cc3)n1)C2=O	920066732	WGKOMGOJNALVSG-UKTHLTGXSA-N	413.882	5.043	30	20	HKED	
CC(C)(C)c1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920143445	ZVECWFJESQIEPC-YDTSGJJXSA-N	411.530	5.869	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(Cl)c4)CCC3)n2)cc1	920144060	XDOOATIUTXCDHP-IBGZPJMESA-N	422.937	5.770	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	920324222	NWVCJBLOVWQYNZ-KRWDZBQOSA-N	412.942	5.992	30	20	HKED	
COc1c(C)cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1C	920365349	UKEWYUMBWFMOKT-UHFFFAOYSA-N	407.326	5.048	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	920806114	HTLHYBCLFUWVAQ-AWEZNQCLSA-N	410.470	5.722	30	20	HKED	
C=C(Br)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	921113309	IWZYKYZYGYKKML-INIZCTEOSA-N	404.695	5.026	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)s3)CCC2)cc1	1789453120	LXAYISXKUANUJH-IBGZPJMESA-N	424.566	5.273	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1	1828827904	ZCCHYQMVTHDGKW-DHIUTWEWSA-N	400.607	5.121	30	20	HKED	
COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1OC	7744483	IYGLWJJYBAWNOY-ZHACJKMWSA-N	410.901	5.115	30	20	HKED	
Cc1c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)oc2c1ccc1ccccc12	17822018	GTPBRXUBSXMEOU-UHFFFAOYSA-N	423.516	5.114	30	20	HKED	
OC1=Nc2ccc(F)cc2/C1=N\Nc1ncnc2scc(-c3ccc(F)cc3)c12	19332489	SCZUACMEPUBXMC-UHFFFAOYSA-N	407.405	5.054	30	20	HKED	
O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	24257841	KVCNNOPDQXWJAV-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1	32178502	KNVSUIJAIGWMGZ-UHFFFAOYSA-N	409.445	5.408	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)nc(C)n1	41561877	ZRZHYXOPUSKRCS-IBGZPJMESA-N	411.383	5.395	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)oc2c1C(=O)CCC2	44552072	RSUGTGSJYNAQCB-SFHVURJKSA-N	418.880	5.668	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2cccs2)n1	46667883	RMLOHBKKWFYBCI-UHFFFAOYSA-N	418.503	5.491	30	20	HKED	
Cc1cccc(C)c1Oc1ccccc1NC(=O)CCc1c(C)nn(CCC#N)c1C	56209237	OUHMHEWYJOAFPN-UHFFFAOYSA-N	416.525	5.394	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1oc2c(c1C)C(=O)CCC2	56470234	WCOLNCXRUFWQHM-UHFFFAOYSA-N	400.434	5.332	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(C3CC3)sc2c1	58453771	JQANPAWSTRLUPY-UHFFFAOYSA-N	408.483	5.302	30	20	HKED	
COc1ccccc1NC(=O)c1cc(SC[C@H](C#N)CCC#N)nc2ccccc12	61731845	JSXHSNJMYBXYCW-INIZCTEOSA-N	416.506	5.031	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1	63667669	GLDSRWQGHOYVMQ-UHFFFAOYSA-N	401.491	5.479	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	66037482	DFJKQUQTOTUSLV-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
C=CCOc1c(Br)cc(CNc2ccc(CC#N)cc2)cc1OCC	237033900	VOQIXFDYWAZZJL-UHFFFAOYSA-N	401.304	5.091	30	20	HKED	
C=C(C)COc1cc(CNCc2ccc(Oc3cccc(F)c3)nc2)ccc1OC	237482576	DLAQWDIMYDBNEC-UHFFFAOYSA-N	408.473	5.266	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)n1	248158549	NBPZPSSRPWHBIG-FQEVSTJZSA-N	422.941	5.399	30	20	HKED	
COc1cc(F)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC	303287058	JZDRBHQSCUHJFH-UHFFFAOYSA-N	422.481	5.259	30	20	HKED	
C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	303416547	WRMWRUGBGOABFA-CVEARBPZSA-N	401.963	5.223	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1	303662836	NHTUUECVFDXMFG-UHFFFAOYSA-N	414.852	5.646	30	20	HKED	
Cc1cc(Cl)cc2nc(SCC(=O)Nc3ccccc3SCC#N)oc12	303681736	MQGSRVRSEZSLHW-UHFFFAOYSA-N	403.916	5.136	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cc(F)c(F)c(F)c1F	410426770	RGQIPYKOSGJJLI-UHFFFAOYSA-N	401.665	5.090	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	426089650	NYKDJNLGLLCEIZ-INIZCTEOSA-N	421.438	5.530	30	20	HKED	
COc1cc(C(=O)Nc2ccc(C#N)cc2Cl)cc(OC)c1OCc1ccccc1	430360336	PJEBPCOOONAQCZ-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2sc(C3CC3)nc2-c2ccccc2)s1	430601126	CQLUHYLBKKAYMZ-HNNXBMFYSA-N	407.564	5.932	30	20	HKED	
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CC[C@H](CC(F)(F)F)C1	434183675	OQALBGKLJYHWCL-BXKDBHETSA-N	422.291	5.293	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@H](C)c1cccc(O)c1	437835299	BWBPGRBAZWFRSQ-GOSISDBHSA-N	415.493	5.980	30	20	HKED	
CCC(CC)c1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)on1	438672833	RNVRKYHNYWIISH-UHFFFAOYSA-N	422.460	5.703	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1[C@H](NCc1ccc(C#N)cc1Cl)C(F)(F)F	439441681	SXNCOSYDKUYBRW-FQEVSTJZSA-N	418.850	5.407	30	20	HKED	
C[C@@H](S[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1)c1cccc(C#N)c1	443141648	DWCXDCGKVPRZKR-CHWSQXEVSA-N	407.520	6.084	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)[C@@H]2CCc3c(Cl)cccc32)cc1	443433871	GODYNZKBVIFEMQ-HSZRJFAPSA-N	407.922	5.481	30	20	HKED	
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1cn(CCCC#N)c2ccccc12	444354740	YQAYHEHMMIFSMT-JOCHJYFZSA-N	403.530	5.043	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1SCCc2sccc21	463110146	XUYWWUQWEMBFSO-IBGZPJMESA-N	407.520	5.085	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464402435	FAFWCXLMLOMSID-LJQANCHMSA-N	410.395	5.656	30	20	HKED	
CCc1nnc(-c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)c2)o1	464791434	GDVZEEDUNYEXJL-UHFFFAOYSA-N	424.460	5.524	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)o1	464887294	AKVITAPBUPFMRR-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H](c2ccsc2)O1	470754159	HIMKVRCLEFQXEE-IERDGZPVSA-N	420.559	5.373	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC(=O)OCC)c1ccc(F)cc1	475554773	JXINVVMWPKJILL-NRFANRHFSA-N	412.505	5.494	30	20	HKED	
C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cc2cccc(F)c2o1	475706137	NVSSRZNCTAYAPO-ZDUSSCGKSA-N	411.502	5.063	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(OCc2ccccn2)cc1	476092983	YZBGJWUMPYOKAM-UHFFFAOYSA-N	400.522	5.694	30	20	HKED	
CC(C)Cn1ncc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C(F)F	481794398	NSWKTEUSBXFXNP-UHFFFAOYSA-N	410.424	5.393	30	20	HKED	
C=CCCC1(C(=O)N[C@H]2CCN(C(=O)C3(CCC=C)CC3)c3ccc(OC)cc32)CC1	484053515	QJZOYSSSGXLJBG-NRFANRHFSA-N	422.569	5.082	30	20	HKED	
C=CCC[C@H](C(=O)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1)c1ccccc1	488631712	PSXVQWWVFJUIJG-XXBNENTESA-N	407.558	5.488	30	20	HKED	
O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(C(F)(F)F)c(F)c1	490274007	SNHHDFQMWUQWDU-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F	494533275	PRVCDWXNBQWXRM-MRVPVSSYSA-N	406.298	5.132	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H](C#N)c1ccccc1Cl	499943965	JTWKNRFGSAMHDV-LBPRGKRZSA-N	408.335	5.482	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	503048790	BITGQWOHJVTUEL-QHCPKHFHSA-N	416.587	5.620	30	20	HKED	
Cc1ccc(S[C@@H](C(=O)Nc2cc(C)n(CCC#N)n2)c2ccccc2)c(C)c1	504099352	GGFJXPXJCCYNFA-JOCHJYFZSA-N	404.539	5.194	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)c(OC(F)F)c1	506989190	VIQXSZXKYZPYLC-DOTOQJQBSA-N	405.832	5.245	30	20	HKED	
CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1	508276718	VVZILJYNIFWVOL-UHFFFAOYSA-N	417.465	5.080	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3)n2[C@@H](C)c2ccccc2)cc1	510233465	LKBTUPCBSYFZJT-GBXCKJPGSA-N	424.573	6.090	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1	510767084	QWHVADLRZIMOEG-UHFFFAOYSA-N	405.448	5.677	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc1	512392645	LOEJFJPAWOFTSX-OAQYLSRUSA-N	404.407	5.217	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@](O)(C(F)(F)F)CC1	512557445	RENTWFFUFRBCCF-QMTHXVAHSA-N	423.319	5.565	30	20	HKED	
COc1cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)ccc1OCc1ccccc1	515501300	BHZALADTZFWTQG-INIZCTEOSA-N	403.438	5.227	30	20	HKED	
COc1cc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	515540134	FMHPXVSBMIWIMZ-AWEZNQCLSA-N	423.444	5.659	30	20	HKED	
CC(C)(C#N)C(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12	515609047	UVQAUHDBQSFGES-JOCHJYFZSA-N	407.517	5.633	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)cc3nccnc23)cc1Cl	515701531	RFFPBVROFUHVTR-LJQANCHMSA-N	416.843	5.330	30	20	HKED	
CN(C(=O)Nc1cc(F)c(OC(F)F)cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1	515703910	FCEJBFFPNIESPL-DTORHVGOSA-N	402.310	5.151	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4ccco4)sc3C)n2)cc1	516713848	KVTLWQKRLQRNCD-OAHLLOKOSA-N	421.503	5.334	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc32)cc1	518137605	MQLJJIPLRFKOAJ-KRWDZBQOSA-N	412.518	5.530	30	20	HKED	
CC(C)c1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	518151378	QLISHPXZAIJZJQ-UHFFFAOYSA-N	422.472	5.852	30	20	HKED	
Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2SCCC#N)c(Br)c1	518649774	QWDOVRMJLGTUEN-AWEZNQCLSA-N	419.344	5.169	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)c1ccc(C#N)cc1	518704812	NNAYFKNHMRDALX-VLIAUNLRSA-N	412.331	5.222	30	20	HKED	
CC(C)(C)C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(F)cc1	521522956	KWAYAVCKSJNZQQ-QHCPKHFHSA-N	423.532	5.428	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1COc1ccccc1	521840649	FJIHUZAFJPTHFP-UHFFFAOYSA-N	413.521	5.827	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C	522837430	ZISJEYLZZFESSS-AUSIDOKSSA-N	421.541	5.622	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	523010822	WWRKDTXMSDKCFH-AVYPCKFXSA-N	417.962	5.632	30	20	HKED	
CCCOc1c(Br)cc(CN[C@H](CCC#N)c2ccccc2)cc1OC	533360067	FXNLGGDVAWUCCE-LJQANCHMSA-N	417.347	5.381	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccsc1)c1ccccc1	533505359	PPHCMSDDJUYIRU-GOSISDBHSA-N	421.591	5.788	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1csc([C@H]2CCCO2)n1	535969080	RKMFVAJWLKRJGU-HXUWFJFHSA-N	423.925	5.367	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1	538559382	WHSHTSHJFXCHHM-UHFFFAOYSA-N	416.440	5.681	30	20	HKED	
CCc1cnccc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	539209447	BLYRYMFGANNBHV-GOSISDBHSA-N	416.500	5.128	30	20	HKED	
C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(-c2cccc(C#N)c2)cc1	541071525	BDXDJARNQGOACW-IBGZPJMESA-N	421.500	5.690	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](C)c2nc(C)cs2)cc1	541745228	XLLAQERSJOASAI-CQSZACIVSA-N	422.510	5.049	30	20	HKED	
N#CCc1ccc(CSCc2nc(-c3cc(Br)cs3)no2)cc1	543151316	NLMYWDHFSZKWLD-UHFFFAOYSA-N	406.330	5.060	30	20	HKED	
CCO[C@H](C)c1nc(CC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1	543893779	AOPKOTYSOOEFBM-DLBZAZTESA-N	419.550	5.199	30	20	HKED	
COc1ccc(CNc2ncc(Cc3cccc(F)c3)s2)cc1OCCCC#N	544667850	CBZQHMOEQOQSBK-UHFFFAOYSA-N	411.502	5.176	30	20	HKED	
O=C(Nc1ccc(F)c(F)c1F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	549157644	GYKUFAHZELEWAD-KRWDZBQOSA-N	406.301	5.225	30	20	HKED	
N#Cc1ccncc1C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	553592844	CCOFOGGMJGFCGJ-UHFFFAOYSA-N	418.815	5.339	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	562031547	ZXQJURFOMBCWEM-UHFFFAOYSA-N	402.800	5.054	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2Cc2ccccc2)cc1	562260421	UMFHUPSGZJZVFX-QFIPXVFZSA-N	411.534	5.268	30	20	HKED	
CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1	562899254	PURIQZOYFDQVNX-QHCPKHFHSA-N	412.493	5.196	30	20	HKED	
C[C@@](C#N)(NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C1CCCCC1	563973499	DBNVOYBVQWFALR-SFHVURJKSA-N	408.727	5.176	30	20	HKED	
CSCC[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1	567425707	SBNSZANPAZKNNP-IBGZPJMESA-N	409.338	5.551	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(Cl)c1OCC(F)F	567781085	UQCWZYDTXJZGPU-UHFFFAOYSA-N	412.823	5.775	30	20	HKED	
C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1cccc(F)c1	578750585	QFBCODLNMPDMGK-HJPURHCSSA-N	416.456	5.500	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)cc2)ccn1	579412934	DFJUHTOXTYPPPB-QHCPKHFHSA-N	410.433	5.250	30	20	HKED	
COCC[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	585745439	UNADFDCPLCYTQV-DJJJIMSYSA-N	406.313	5.003	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1	592975302	ADTYYSJYPMPQNE-HXUWFJFHSA-N	407.404	5.528	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	603648244	DEEYHQULISUPFW-GOSISDBHSA-N	408.552	5.208	30	20	HKED	
CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1sc(C)c(C)c1C#N	603750510	VFJIDUNICPBLJM-UHFFFAOYSA-N	412.515	5.115	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(-c3ccccc3)s2)sc2c1-c1ccccc1CC2	603992231	KVLAVXTZRLGIGG-UHFFFAOYSA-N	413.527	5.761	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(ccc3ccccc32)[nH]1	604101821	AUZOJTKTLRTFQF-UHFFFAOYSA-N	418.456	5.941	30	20	HKED	
CN(C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccc(C#N)cc1F	608798244	LFIIFPUTYFEACX-UHFFFAOYSA-N	420.831	5.073	30	20	HKED	
N#CC1(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CCCCC1	608984883	HEYXPCLMYILHFX-IBGZPJMESA-N	405.929	5.543	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3Cc3ccccc3)cn2)c1	609139264	LTWKJYZKYDRIGA-JOCHJYFZSA-N	412.493	5.375	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCc1cccs1	609377780	MKEDQLZBHJEOIP-INIZCTEOSA-N	424.616	6.544	30	20	HKED	
CC(C)N(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(F)cc1Cl	609815300	APSHDABAVSXVKC-UHFFFAOYSA-N	412.848	5.578	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nccs1	610093570	LRXCVQGYELTYGF-QHCPKHFHSA-N	420.538	5.235	30	20	HKED	
CCN(CCc1nccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	611094228	BPSHGEMWKFVUNE-UHFFFAOYSA-N	406.511	5.212	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1cccc(C#N)c1	613450232	ZKPABOBXJFDJJO-YJYMSZOUSA-N	416.294	5.068	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	617504107	KMRVITJKUIWBHF-SNVBAGLBSA-N	400.372	5.630	30	20	HKED	
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC=C(c2c[nH]c3ncccc23)CC1	642480348	OBUQRRJOUXPGIY-UHFFFAOYSA-N	424.529	5.345	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(C(F)(F)F)ccc2C)c1C(F)F	676180898	UQOGWOKZRCUBCX-UHFFFAOYSA-N	415.284	5.439	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCC(c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1	678165576	RKMIQUJMNCNRBT-OAQYLSRUSA-N	417.475	5.697	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccco2)c2ccc(Cl)cc2)cc1Cl	726473515	REWUMQPDGREBAA-UHFFFAOYSA-N	402.306	5.862	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)O[C@H](c2ccccc2)c2cccnc2)cc1OC	728417550	GFWGYTQOJXBQFO-YPJOJRFLSA-N	401.462	5.001	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc2cc(C)ccc2c1Cl	729180281	BHYWKWPYBFYOGJ-UHFFFAOYSA-N	405.910	5.612	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	730418497	WDNSNRYAEVBYMQ-VGVVRCBHSA-N	406.360	5.224	30	20	HKED	
C#CCN(C(=O)Nc1ccc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21	733615808	YAEXZSFHTSOZTP-IBGZPJMESA-N	413.315	5.057	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccncc1	734237020	JTNQBBBKBNIXAM-LJQANCHMSA-N	423.856	5.483	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	734705900	UCFURYPHQIMWCB-KNQAVFIVSA-N	410.473	5.246	30	20	HKED	
C#CCCN1CCC(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)CC1	743491692	LFTNMJCMTILFMW-UHFFFAOYSA-N	424.610	5.216	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1C(F)(F)F	744036567	CRUXZRJRUCLJFQ-BBRMVZONSA-N	400.425	5.809	30	20	HKED	
Cc1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1F	745723646	DLAKKSZGQXRBRV-UHFFFAOYSA-N	407.489	5.857	30	20	HKED	
Cc1cc(CSc2ccccc2C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)on1	745765049	NNNKIWLLHHSFCR-UHFFFAOYSA-N	419.550	5.445	30	20	HKED	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	748833444	BGORJZCTDXMGMZ-XCLFUZPHSA-N	421.950	5.067	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Oc2ccccc2)o1	749024994	AIFUVEPNNONURQ-INIZCTEOSA-N	415.232	5.340	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)OC[C@@H](C#N)Cc3ccccc3)cs2)cc1	750786177	GMLPRTNBYUICJK-GOSISDBHSA-N	406.507	5.137	30	20	HKED	
CCN(C(=O)Cc1ccccc1NC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1	755634814	YRNCALNKRFAUOT-QGZVFWFLSA-N	407.514	5.057	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(F)cc(F)c2)cs1	755706200	UUVIZTYCOCBJQE-QPJJXVBHSA-N	418.852	5.655	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cncc(-c2ccccc2)c1	757873440	BHYDGUKLFXLIQH-KRWDZBQOSA-N	410.260	5.017	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	757875397	OPVADEBLNOUGRS-GOSISDBHSA-N	405.882	5.095	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1	758584196	KAILENULOOQYOK-PZJWPPBQSA-N	417.465	5.064	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Br)s1	760365109	IXSPJZCVWFMZQX-GOSISDBHSA-N	411.324	5.727	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN(C)Cc2ccc(Cl)cc2Cl)c1=S	764857420	QVJMVFNDRRWSRF-UHFFFAOYSA-N	420.369	5.058	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCc3ccccc3[C@@H]2CC)c1=S	765011569	JTXLNGPRBGZCLY-NRFANRHFSA-N	405.571	5.019	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1	772951023	NIMYBAAEMAEVNA-LJQANCHMSA-N	412.961	5.295	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	774322283	YUZIWPCJXVNBQW-OKZBNKHCSA-N	424.472	5.302	30	20	HKED	
C[C@H](NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)c1ccc(OCC#N)cc1	776162130	BNFOAPLRAXHYRY-HNNXBMFYSA-N	406.448	5.636	30	20	HKED	
C=CC[C@@H](C(=O)O[C@H](C)C(=O)N(c1nccs1)C1CCCCC1)c1ccccc1	778429292	VWZJZMAVOGBZEY-YLJYHZDGSA-N	412.555	5.100	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCC(=O)c3ccccc3)n2)cc1	783360828	ISJRUZLUKKQKED-HXUWFJFHSA-N	418.518	5.438	30	20	HKED	
N#Cc1cccc([C@H](NCc2csc(CCc3ccccc3)n2)C(F)(F)F)c1	783671885	NUMJJKDVFUCXLQ-FQEVSTJZSA-N	401.457	5.193	30	20	HKED	
C[C@H](Cc1ccccc1)NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1	786060364	DRIDZAGDWXBCPN-LJQANCHMSA-N	415.562	5.249	30	20	HKED	
CC[C@@H](C)Oc1cc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OC	787167312	CNRXTSJYMMMQOQ-FPXKJXHESA-N	406.482	5.028	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2ccc(SC3CCCCC3)cc2C)n1	788589268	UGPJCMHWBJRFJM-UHFFFAOYSA-N	410.587	5.304	30	20	HKED	
C=CCn1c(SC[C@@H]2CC3(CCC3)C(=O)O2)nnc1-c1ccc(C(C)(C)C)cc1	790159200	CLYSYBJMIKFXHM-SFHVURJKSA-N	411.571	5.007	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	797242996	FDRZTSPITBNYGR-OAHLLOKOSA-N	415.534	5.107	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(C2CCC2)c1	798816123	HRSHKWCOJUQNIF-QFIPXVFZSA-N	410.473	5.708	30	20	HKED	
Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1C#N	799549076	IVHUGSHSJMLXQL-SNVBAGLBSA-N	411.672	5.011	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cn2c(n1)CCCC2	806565255	LPPUIYBCPQSUJD-VAWYXSNFSA-N	405.885	5.021	30	20	HKED	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C(\C(=O)C(=O)O)c1ccc2ccccc2n1	806570265	UZGKORSORWSHOS-UOEQGAKJSA-N	411.379	5.394	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c[nH]c3cccc(Cl)c23)cc1	815909443	ABZVGHJBOMYVHK-RDTXWAMCSA-N	407.901	5.225	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2	915137294	IRUBROGQFXFIIT-UHFFFAOYSA-N	421.884	5.029	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	916627874	BAOSALQUSWYYCO-INIZCTEOSA-N	420.843	5.901	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSCc1cccc(Cl)c1	916902819	HYVCJIPSZZTPEJ-IBGZPJMESA-N	414.958	5.046	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1	917119409	CTJQHAROXWUDSO-HSZRJFAPSA-N	421.456	5.440	30	20	HKED	
Cc1cccc(C)c1NC(=S)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	917600582	ZKWVPPVHSYOJEY-UHFFFAOYSA-N	407.926	6.430	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F	918556042	VEPVHIRGXWWDIN-KUHUBIRLSA-N	413.424	5.011	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC(C)(C)[C@@H]2c2ccccc2)c1=S	919948180	GUNAYRPIOQFDMN-NRFANRHFSA-N	420.582	5.316	30	20	HKED	
N#C[C@H](C(=O)Cc1csc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	920806116	HTLHYBCLFUWVAQ-CQSZACIVSA-N	410.470	5.722	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC)nc3)CCC2)cc1	1786103768	ACFOLHQHCSBCJJ-UHFFFAOYSA-N	417.553	5.160	30	20	HKED	
N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)cc3)CCC2)cc1	1787890587	ZZYZFVDMLQSWCL-UHFFFAOYSA-N	423.516	5.405	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(O)c(F)c3)cc2)CCC1	1790651692	RWTVQOPDPNCNLF-HXUWFJFHSA-N	422.500	5.047	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1	1790957248	ZZBALTDYOWGABZ-QGZVFWFLSA-N	402.494	5.393	30	20	HKED	
CC(C)/C=C/C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1	1792061352	WSXBMQAAZSWZBO-CWRQFWGNSA-N	415.537	5.274	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1	4285432	OWTNFGGLNVEPME-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(O)c1	10174364	PXCMKPPGUAVTQS-UHFFFAOYSA-O	419.570	5.416	30	20	HKED	
C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1cccc(C)c1	22212536	GXDOUYWHWQOFLT-UHFFFAOYSA-N	407.539	5.333	30	20	HKED	
N#CCCN(C(=O)CSc1nc2ccc(Cl)cc2o1)c1cccc(Cl)c1	22354310	OMSRFVZTWDZKRN-UHFFFAOYSA-N	406.294	5.174	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1	25438415	JPGNQFDQESVSPP-UHFFFAOYSA-N	412.518	5.654	30	20	HKED	
O=C(c1ccccc1)C1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1	43995918	BTNAKUQPWUSQLK-UHFFFAOYSA-N	414.530	5.275	30	20	HKED	
CCC[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	72108412	CWYGHCMVEFQVNR-GOSISDBHSA-N	408.552	5.224	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	106193483	LJMYOSSCXGXSEI-QBFSEMIESA-N	419.437	5.281	30	20	HKED	
COc1ccc(N(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@H](C)C2CC2)cc1	109734198	WCCGOHUFGQUHHW-QGZVFWFLSA-N	416.477	5.184	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1	146775521	KOGMGELALOKHQX-VQTJNVASSA-N	403.869	5.450	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)o1	195632907	SSHDGBVZJCYGMF-FOIQADDNSA-N	416.443	5.148	30	20	HKED	
CN(C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cccc1F	195644923	YJIZQBOWZNJCII-UHFFFAOYSA-N	413.264	5.044	30	20	HKED	
C=CCc1cc(C(=O)Nc2cccc(CSc3ccccn3)c2)cc(OC)c1OC	303173856	XCOHQVWHJVVZMC-UHFFFAOYSA-N	420.534	5.372	30	20	HKED	
N#CCCCCSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl	410297632	BYPPPTGXNNUKLR-UHFFFAOYSA-N	422.945	5.105	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Br)c(C(F)(F)F)c3)[nH]c12	426190756	HSIPRZAWQRTEIT-NSHDSACASA-N	422.204	5.143	30	20	HKED	
C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1OCCc2sccc21	429122083	JHYDSLRFAQUSEM-NTKDMRAZSA-N	402.563	5.240	30	20	HKED	
C[C@H](CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(Br)cc1	431469186	BVMLORVXYSKNKY-TYCQWZJGSA-N	411.343	5.241	30	20	HKED	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cc(C#N)cn1C	434121624	STZUDNAIOZKVPG-UHFFFAOYSA-N	415.472	5.194	30	20	HKED	
C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	434237661	RXBQGTGXYXHVCZ-AREMUKBSSA-N	411.505	5.231	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CCC(CO)CC1	435602523	VQQMPEKIRPMTSV-UHFFFAOYSA-N	413.905	5.019	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(OC2CCCC2)c(F)c1	438037560	LDODDQLHHKIAGP-OAHLLOKOSA-N	413.518	6.043	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1cccc(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	440810604	POXYKJJSEDWIOQ-HXUWFJFHSA-N	419.447	5.171	30	20	HKED	
CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3sccc3C#N)cc2Cl)n1	444376584	SYWAWJKFFFNSDP-UHFFFAOYSA-N	418.931	5.467	30	20	HKED	
FC(F)C(F)(F)COCc1noc(/C=C\c2ccc(Cl)c(C(F)(F)F)c2)n1	445753398	TURWRSXTKFWHMB-RQOWECAXSA-N	418.696	5.329	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)c(F)c1	446157951	NRTONTVNDKDTEH-UHFFFAOYSA-N	413.424	5.153	30	20	HKED	
C[C@H](C(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C)c1cccc(C#N)c1	462177053	QSMJWRRCKGQLGM-JMERFSKESA-N	415.356	5.024	30	20	HKED	
COc1cc(C)c(Br)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	462855440	VGZAPXZXIVEHIE-UHFFFAOYSA-N	416.319	5.080	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccn(-c2ccc(F)cc2F)n1	463591515	MLTMWWLTRSYSGY-UHFFFAOYSA-N	406.417	5.003	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Nc1ccccc1S[C@H](C)CC#N	463970098	LBSSLYMVWUVQNZ-SJLPKXTDSA-N	409.555	5.331	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1	464234317	WXCPBFGVVZMMBX-GOSISDBHSA-N	423.538	5.107	30	20	HKED	
O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1c(F)cc(C(F)(F)F)cc1F	464290491	LSANACYEQDGLAE-UHFFFAOYSA-N	414.208	5.163	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(SCc3ccccc3)cc2)CCC[C@@]12CCCCO2	468646302	WYKSRERDCQONOS-UPVQGACJSA-N	406.551	5.046	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(OC(F)(F)F)c1	468976991	KFMAGUNQAMXYJL-HNNXBMFYSA-N	417.431	5.341	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1	469656144	WOEYGUCVIXJWPC-UHFFFAOYSA-N	419.378	5.149	30	20	HKED	
O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cc(C(F)(F)F)ccc1F	471385024	KRQNKKCYQKBQJI-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1	471594904	RIVDKDWRMXCYPX-FQEVSTJZSA-N	407.905	5.074	30	20	HKED	
CCc1c(C)sc(NC(=O)c2cc(F)c(Br)cc2Cl)c1C#N	483462278	PNXDAYCADKOFAB-UHFFFAOYSA-N	401.688	5.298	30	20	HKED	
COC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1C	485838843	ATCAEWDACCIHFL-UHFFFAOYSA-N	402.475	5.057	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2o1	487736347	WVGOGSZSSOWKCY-GFCCVEGCSA-N	417.943	5.606	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)cc1	489129408	OYDJXBNYMRQTRA-UHFFFAOYSA-N	417.918	5.405	30	20	HKED	
C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1	491273793	ZONAAUPEEVYHBU-UHFFFAOYSA-N	409.555	5.268	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)sc2c1CCCC2	494111083	DIKISIDYPOPIHB-HUUCEWRRSA-N	401.329	5.003	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(F)c(F)c(F)c1F	495073484	CCSAYTJKVGIICD-UHFFFAOYSA-N	406.301	5.114	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1	498731148	RVYMFYYSGVYIRE-ZEQRLZLVSA-N	424.589	5.028	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1	499308142	OWEZLNFQXCPYAO-INIZCTEOSA-N	424.467	5.212	30	20	HKED	
COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	503628048	MPWNMTKDNSLFPQ-UHFFFAOYSA-N	424.460	5.106	30	20	HKED	
N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2	505092509	JLFXBVBWJGBZKF-HTXNQAPBSA-N	413.496	5.674	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)sc2nc(C(F)(F)F)ccc12	505791652	WWESCGDSIIWYMN-ZDUSSCGKSA-N	409.820	5.272	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1	505839025	QBVJLOPAWLJNOT-HXUWFJFHSA-N	411.933	5.227	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc12	505922606	JMCXKBKNXWNWAT-CQSZACIVSA-N	407.326	5.060	30	20	HKED	
CC(C)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C(C)C)c1	506212266	MDQGQTMDNXWPRY-UHFFFAOYSA-N	406.574	5.401	30	20	HKED	
N#C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1cccc(Br)c1	506523094	FXXQUNXYZVKDHX-NRFANRHFSA-N	421.294	5.023	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OC(C)(C)C)CC1	508873933	PBARDFWVHCQTEI-LJQANCHMSA-N	412.578	5.005	30	20	HKED	
CC1(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)Cc2ccccc2C1	509701617	WMDONGFMHQEOBV-UHFFFAOYSA-N	411.505	5.011	30	20	HKED	
Cc1sc2nc([C@H](C)Sc3nc(-c4ccccc4)ccc3C#N)nc(O)c2c1C	510179260	DXCMTKSMGYJDQG-AWEZNQCLSA-N	418.547	5.801	30	20	HKED	
Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cccc1[N+](=O)[O-]	513956697	HKOQEUJLSVGKRS-UHFFFAOYSA-N	418.428	5.148	30	20	HKED	
CSc1nc(O)c(C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1C#N	515365941	CHGKEDBMKXWQIW-UHFFFAOYSA-N	421.547	5.401	30	20	HKED	
Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1	517518180	XZVGKYCTYCYRAF-INIZCTEOSA-N	410.568	5.126	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C	517604501	AVUWQLMCAMSKGN-KRWDZBQOSA-N	407.297	5.031	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCc1cccc2ccccc12	518164909	IEQSFDWFVXOJHT-GOSISDBHSA-N	403.551	5.798	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)c(C)c2c1	518207420	JPDFZDDDWICZCM-QFIPXVFZSA-N	416.521	5.555	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	518849305	ZHOKHOBWQKOEGU-MRXNPFEDSA-N	419.403	5.271	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1	520562265	CRDQWTBNEPMXQJ-UHFFFAOYSA-N	408.571	5.247	30	20	HKED	
COc1cccc([C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	521473743	QJHJHWFWXNKJIY-ZHRRBRCNSA-N	404.897	5.746	30	20	HKED	
CN1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc2C1	522648518	QAJDLVLUPMQVFM-UHFFFAOYSA-N	417.896	5.096	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCC2)n1	522843343	ODFQRXUHTDTMOW-HNNXBMFYSA-N	400.573	5.437	30	20	HKED	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1occc1COc1cccc(C#N)c1	523273434	IFUDABYLBOOMLO-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1	525024271	NRNNUCAZEMQNER-SFTDATJTSA-N	418.443	5.352	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)c1ccccn1	526109015	FFPCVHOUFUBHDW-SFHVURJKSA-N	418.905	6.264	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1	532489361	GGZHAISBZYYSOG-OAHLLOKOSA-N	421.488	5.028	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(COc2cccc(F)c2C#N)cs1	533688510	WWHYMNXIVZTPDP-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)cc1Cl	534401953	BQXFEPPDFLKXLM-XLIONFOSSA-N	423.925	5.556	30	20	HKED	
N#CCCN(CC1CC1)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	536515396	JYIVAYXZTIULMX-UHFFFAOYSA-N	410.223	5.092	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3cc(C)n(CCC#N)n3)s2)cc1	537517863	SYCPPAOWLFOHKN-KRWDZBQOSA-N	422.558	5.070	30	20	HKED	
N#CC1(CCCSc2nnc(-c3ccco3)n2C2CCCCC2)CCOCC1	539511325	AEOWLMGYYSYFND-UHFFFAOYSA-N	400.548	5.236	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(CC#N)cc2)[C@H]2CCCC[C@H]2C)cc1OC	540064142	GRTKIJMTKLPQEJ-GCJKJVERSA-N	421.541	5.383	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)NCc2ccc(C#N)cc2)c1	542415985	MQGPWUMEAKRAHK-JWQCQUIFSA-N	411.505	5.007	30	20	HKED	
CCCc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cnn1C1CCCC1	543149704	CGWCSFWURJFDGE-UHFFFAOYSA-N	405.527	5.198	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1	544278042	QLJSZCGYCNNEPI-KAYWLYCHSA-N	423.560	5.231	30	20	HKED	
Cc1ccc(C(C)(C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cn1	546837300	DMGANMJYZJZGKM-UHFFFAOYSA-N	400.482	5.419	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CC1	554561457	NXVOLTIAEMSMPR-UHFFFAOYSA-N	418.541	5.130	30	20	HKED	
CC(C)(C(=O)Nc1cc(C#N)c2ccccc2n1)c1csc(-c2cccs2)n1	569046458	CCAIEEFSZRPKIN-UHFFFAOYSA-N	404.520	5.208	30	20	HKED	
CC(C)(c1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1)C(F)(F)F	569312375	BCFUVZFVCWZOKV-CQSZACIVSA-N	400.322	5.430	30	20	HKED	
CC(C)(C)n1cc(CNc2cccc(OCCCC#N)c2)c(-c2ccccc2Cl)n1	570877570	RDFQZAWVPQMMEL-UHFFFAOYSA-N	422.960	6.253	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(CCC#N)c2ccc(F)cc2)c1	572689047	JWLQTGHCUUTJAW-UHFFFAOYSA-N	401.869	5.024	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	573282618	GUFJVHHVFCNZGV-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
CC[C@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1	577227255	SZXYBOICKHDDRA-LQNDFPKKSA-N	407.989	5.866	30	20	HKED	
COc1ccc([C@H](NC(=O)CCCCCC#N)c2ccccc2)cc1Br	588920195	UXPJXGGZRONTLM-OAQYLSRUSA-N	415.331	5.137	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]nc3-c3cc4ccccc4o3)cc2)ccn1	589543403	DQYZPINQYYFQFF-UHFFFAOYSA-N	421.416	5.134	30	20	HKED	
C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc5cc(F)ccc5s4)cc3c2C1	592974555	UBURCBWBFWRUPW-SJKOYZFVSA-N	403.482	5.532	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)nc2ccccc21	596533242	BMCHPPIRWARGGN-IBGZPJMESA-N	418.456	5.385	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)n1	602756612	WGFGYNZGJJRGSO-SFHVURJKSA-N	421.488	5.653	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1	603727347	NLXHIHBQDQQTMB-UHFFFAOYSA-N	405.957	5.269	30	20	HKED	
COc1ccc(S[C@@H](C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	603891681	CPZLBSPQSZMABA-KRWDZBQOSA-N	418.518	5.265	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	603969428	SXGCEMFFCVIHQB-UHFFFAOYSA-N	404.451	5.022	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3ccccc3C2)cc1Cl	604084950	MRTLJEAYVRUSDG-OAQYLSRUSA-N	417.896	5.422	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1C	604443979	IEZBSRNDNOYGNM-HSZRJFAPSA-N	412.493	5.731	30	20	HKED	
N#C[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(OCc2ccccc2)cc1	609171943	JGFHPFBSIYQPEO-JOCHJYFZSA-N	424.472	5.017	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCSC[C@H]3c3ccccc3)cn2)cc1	609681834	BRMDYEOKNTZVIZ-NRFANRHFSA-N	416.506	5.068	30	20	HKED	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1	609712441	QDLAADKTWLWHMX-GDLZYMKVSA-N	413.543	5.060	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1	610226761	ZTLPFAHHVWVAER-HXUWFJFHSA-N	416.502	5.577	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4Cl)on3)n2)cc1	613318287	UKRNADCHAXHVLA-MRXNPFEDSA-N	419.893	5.917	30	20	HKED	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C(C)(C)C#N)cc1	614160069	SLRYMHWZIZXVEI-UHFFFAOYSA-N	404.341	5.255	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1	674458254	BXWOMECKQDGLBB-HUUCEWRRSA-N	411.361	5.227	30	20	HKED	
COc1cc(F)c(F)cc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	685675815	WAIDFUSQFANCNS-BRPSZJMVSA-N	420.300	5.004	30	20	HKED	
N#C[C@@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc2cc(Cl)ccc2s1	727038931	QKUHAIHTXPDOQN-LAUBAEHRSA-N	410.926	5.826	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727086585	LLYGAEJBWSPXFV-OXQOHEQNSA-N	424.422	5.767	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1nc(-c2cccs2)no1	728062087	DAEIZZRSKFIPID-HNNXBMFYSA-N	402.479	5.422	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)c2c(c1)C[C@@H](C)O2	728440291	LWYIDDKQPJVBCI-FVOPLDGLSA-N	406.450	5.238	30	20	HKED	
C#Cc1cccc(N(C)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	728482486	RZCCZBJVILDSDC-UHFFFAOYSA-N	400.425	5.016	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1	732146245	LWZGRYQBSNQLLO-UHFFFAOYSA-N	408.910	5.787	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(c2cc3ccccc3[nH]2)CC1	732434392	GIXVNZSGDMGHHG-UHFFFAOYSA-N	420.516	5.374	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1)C1CC1	734304525	MRLMGZQKCQBTHR-DHZHZOJOSA-N	422.481	5.486	30	20	HKED	
O=[S@](Cc1ccccc1)Cc1cccc(N=Cc2cc3ccccc3nc2O)c1	734753281	QWQBLODMOTVYHE-GDLZYMKVSA-N	400.503	5.140	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCOc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	735592634	CGMHMTUUCJUKBU-SWLSCSKDSA-N	416.424	5.448	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	739437292	KXOHOVIUEIJACK-UHFFFAOYSA-N	421.464	5.179	30	20	HKED	
Cc1c(C(=O)/C=C/c2csc(-c3ccsc3)n2)cnn1-c1ccc(C#N)cc1	741853213	YJMUZQGMXSAICT-QPJJXVBHSA-N	402.504	5.134	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037881	HJQTZDJHGPLJLM-SWLSCSKDSA-N	420.431	5.899	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(Oc3ccccc3)c2)cc1	749337635	ITVKKTYGRLVHJO-HTAPYJJXSA-N	413.477	5.349	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(F)(F)F)c1	752178991	USSPSZVWABFQOZ-GJZGRUSLSA-N	406.404	5.824	30	20	HKED	
CN(C)C(=O)Sc1ccc(CNc2cccc(Oc3ccc(C#N)cc3)c2)cc1	753123328	XNPCEPYEUONPIE-UHFFFAOYSA-N	403.507	5.736	30	20	HKED	
CN1C(=O)CCc2cc(C(=O)/C=C\c3c(OC(F)F)ccc4ccccc34)ccc21	754689698	LXAWMKIFECJVKF-LUAWRHEFSA-N	407.416	5.246	30	20	HKED	
COC(=O)N(C)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1	756922735	PKBCAMVJCLWGEP-UHFFFAOYSA-N	415.449	5.114	30	20	HKED	
N#C[C@@H](C(=O)/C=C/SCc1ccco1)c1nc(-c2c(F)cccc2F)cs1	759829386	TZWGPQHUZSMQPK-CFNZNRNTSA-N	402.447	5.305	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c1=S	765051678	BLGCNOJWDULFOP-DYESRHJHSA-N	423.561	5.232	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F	770651297	CFCXSYLJFQVAJU-MGPLVRAMSA-N	415.774	5.195	30	20	HKED	
O=C(/C=C\c1ccc2ccc(Br)cc2n1)c1ncc(Br)s1	771528172	JRDGQMDGJKKSQD-WAYWQWQTSA-N	424.117	5.112	30	20	HKED	
N#C[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1Cl	772666724	MYSCWZGPCZVGDD-CABCVRRESA-N	418.107	5.105	30	20	HKED	
Cc1c([C@@H](NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C(C)C)oc2ccccc12	775410509	SHWOFNDFCWEDIO-DVECYGJZSA-N	424.504	5.265	30	20	HKED	
COc1cc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)ccc1OCc1ccccc1	776159399	WGTHKPSAOSSYAY-UXHICEINSA-N	416.521	5.588	30	20	HKED	
O=C(/C=C\c1cc(-n2ccnc2)cs1)c1ccc(OC(F)F)cc1OC(F)F	783698351	ZUZZBQINNISSCA-RQOWECAXSA-N	412.364	5.033	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)c(N)c(Cl)c1	786956036	CINNSZQSXLZQNQ-ZDUSSCGKSA-N	417.340	5.332	30	20	HKED	
C=CCn1c(SCc2cc3ccccc3c(Cl)n2)nnc1-c1ccccc1OC	787489654	RPGOSYNKPFAJLT-UHFFFAOYSA-N	422.941	5.634	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccccc2OC(F)F)cc1	788284979	MJBSJTDRPDVICW-NRFANRHFSA-N	421.447	5.308	30	20	HKED	
Cc1ccc(Nc2nc(Cl)c(C=NNc3ccc4c(=O)[nH]ccc4c3)s2)cc1	789074211	YJPGUDOQLTXBKH-UHFFFAOYSA-N	409.902	5.136	30	20	HKED	
O=C(/C=C/c1cc(Br)c(Cl)s1)c1ccc(N2CCOC2=O)cc1	790218164	JTQCDQDAGPHSHJ-AATRIKPKSA-N	412.692	5.017	30	20	HKED	
CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	793044763	SJYBTNFDKYNSQT-JOCHJYFZSA-N	407.473	5.812	30	20	HKED	
C#C[C@H](NC(=O)c1ccccc1SCc1csc(C)n1)c1ccc(Cl)cc1	794061014	TXXMBYVOUJCZKP-IBGZPJMESA-N	412.967	5.502	30	20	HKED	
Fc1ccc([C@@H](NC(=S)NCCCCC(F)(F)F)C(F)(F)F)cc1Cl	794988287	LKFOLRHUNSPMKW-LLVKDONJSA-N	410.786	5.279	30	20	HKED	
N#C[C@@H](C(=O)CSc1cc(Cl)ccc1F)c1nc(-c2ccccc2)cs1	795244097	XOSDYDXCOAIHBO-AWEZNQCLSA-N	402.903	5.571	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1	796955836	SMZUOYHALUTOCV-KRWDZBQOSA-N	420.490	5.229	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CO[C@H]3CCCc4ccccc43)n2)cc1	797552011	ZJCKVECGIANWSE-REWPJTCUSA-N	418.518	5.089	30	20	HKED	
C=CC[C@@H](CC)NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	799213706	YVJHZYIEALAOML-GFCCVEGCSA-N	401.429	5.529	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2csc(C)n2)cc1	799602741	ZGCQQHLASUZFFP-FQEVSTJZSA-N	417.534	5.205	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c1C	801676791	YZRDJPYVNQVGTL-SFHVURJKSA-N	416.378	5.029	30	20	HKED	
Cc1ccc(-n2c(N(C)C)nc(CN[C@@H](CCC#N)c3ccccc3)c2Cl)cc1	802648263	WFOFNHMKKXNJJC-FQEVSTJZSA-N	407.949	5.035	30	20	HKED	
C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	805165018	UHELHJKAWIURBT-AFMDSPMNSA-N	405.501	5.708	30	20	HKED	
CC(=O)Nc1cc(C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)ccc1F	809125789	AJWSJEYLGRZUET-OAHLLOKOSA-N	423.284	5.263	30	20	HKED	
Cc1cccc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1Cl	810555906	SRTMZBJGOWYGHT-ZDUSSCGKSA-N	402.853	5.469	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cccnc3SC(F)(F)F)cc2)ccn1	811612644	GXASAZWXQKCPKS-UHFFFAOYSA-N	416.384	5.005	30	20	HKED	
C=CCc1cc(CN[C@@H](C)c2csc(-c3ccccc3F)n2)cc(OC)c1OC	812723396	LZCINYBZDFFBOH-HNNXBMFYSA-N	412.530	5.546	30	20	HKED	
N#C[C@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1cc(C(F)(F)F)ccn1	813215852	LIOKGBZSFNNCCL-PTAWQOSSSA-N	416.365	5.426	30	20	HKED	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1SC(F)(F)F	914722925	LHEJTQOETLRNFV-UHFFFAOYSA-N	403.347	5.099	30	20	HKED	
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915353817	XUVXWVZFEDRBJF-DQEYMECFSA-N	411.505	5.720	30	20	HKED	
CC(C)c1ccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	916025816	JSWQCUNHYDXCFL-UHFFFAOYSA-N	415.562	6.264	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C	916845208	QNXUSUCRMCKUNM-AAEUAGOBSA-N	404.322	5.237	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3ccco3)sc2C)cc1	916915454	JRFZBPCOSPALOS-KRWDZBQOSA-N	407.495	5.015	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2nc(-c3cccs3)oc2C)cc1	916948255	FMMLEIDQGIZHDI-RDTXWAMCSA-N	421.522	5.115	30	20	HKED	
COc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1F	917042947	IHQNPJLHJQMMQR-ZDUSSCGKSA-N	422.403	5.272	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cs1	917561869	QIAZETZECZVWRD-SDNWHVSQSA-N	422.525	6.160	30	20	HKED	
C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	919893980	UWAHHBBJJNMYAX-UHFFFAOYSA-N	423.472	5.114	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(COc2ccccc2)cs1	921194876	HZFHZGKODVVJCQ-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)CC(=C)C)n[nH]1	1819552258	HGWSSWMBMJMHSM-HXUWFJFHSA-N	412.578	5.163	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2)CC1	1829958669	IPWWVMTWDWGDMB-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1	1832556128	QZVGQIWXHONHCH-YADARESESA-N	408.586	5.010	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1cccc(C)c1	10174334	PNJGDKTYVWQEEO-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(C)c(F)c2)c1	11083279	KXARPEPVUYQETE-UHFFFAOYSA-O	413.563	5.459	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2ncc(-c3ccccc3)n2C)c1	26531071	OALZASKQYYZUCO-LJQANCHMSA-N	418.566	5.131	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1	31777105	AFKFFHZTQCODPC-UHFFFAOYSA-N	408.910	5.765	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3cccc(CC#N)c3)ccc2OC(F)F)cc1	42393522	UFSQLNSEMOCCPI-UHFFFAOYSA-N	408.404	5.282	30	20	HKED	
Cc1nc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)sc1SCC#N	57388899	CSHWYCHDBMKHFL-UHFFFAOYSA-N	412.974	5.158	30	20	HKED	
C[C@](Cc1nc2ccccc2s1)(C(=O)Nc1ccc(CC#N)cc1)c1ccccc1	57978129	TXYFMBUBOSSBQF-RUZDIDTESA-N	411.530	5.501	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C	65776272	VDRMDPRISNQQBS-UHFFFAOYSA-N	422.525	5.319	30	20	HKED	
N#CCCCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1	195539933	XYVIRHVHIXYLRJ-UHFFFAOYSA-N	417.365	6.086	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3c(F)cccc3F)o2)ccc1OC	236896134	UZXADZXEDDBCFY-MRXNPFEDSA-N	412.436	5.204	30	20	HKED	
Cc1nccn1-c1ccc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1	237597829	UEWWZVLUQPNFTD-FQEVSTJZSA-N	422.532	5.482	30	20	HKED	
N#Cc1csc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1	237707075	VOAGKEKLFBXREZ-IBGZPJMESA-N	401.304	5.401	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1-c1ccccc1	428195546	XWFQTTYHCGYKOM-UHFFFAOYSA-N	416.550	5.751	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(F)cc1C(F)(F)F	428790255	BOEDWXVIKPZYDM-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1cccc(SCC#N)c1	429829200	HCICQBXUPZYNNJ-UHFFFAOYSA-N	422.481	5.803	30	20	HKED	
N#CCCn1ncc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c1-c1ccccc1	430290575	RNIVHPWWPIMRPM-LJQANCHMSA-N	416.500	5.013	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(Cl)cc(F)cc2Cl)cc1	431487848	OCPOREXCWSCVNB-UHFFFAOYSA-N	407.272	5.199	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC(F)(c2cccc(Cl)c2)C1	432088807	LOEPTWFGRPZNFX-OKSICCMJSA-N	417.937	5.741	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1	432765004	LLABGWJIDPCGED-LJQANCHMSA-N	417.431	5.270	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[C@H](c1ccccc1)C(F)(F)F	433141319	NYDZWKFMJCIOCX-DOTOQJQBSA-N	421.488	5.939	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)c1ccccc1	433280020	XYBXMCLNOXQCSD-XMMPIXPASA-N	420.557	5.108	30	20	HKED	
Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc1NC(=O)c1ccccc1	435997021	BIVFMQPETOIPGK-UHFFFAOYSA-N	403.869	5.049	30	20	HKED	
COc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C(F)(F)F)c1	437736963	NHLXSJVFUXFJBS-VQIMIIECSA-N	403.404	5.018	30	20	HKED	
Cc1cnc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)s1	438667319	BPRXWKQTEMPWKR-HXUWFJFHSA-N	422.485	5.527	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CCC(F)(F)F)cc1	440299600	XAZLHVAGXATUEE-UHFFFAOYSA-N	407.392	5.310	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H]1CCCc2nc(O)ccc21)c1ccc(C(F)(F)F)cc1	441517270	ZCNOLZDEWJUNJT-HKUYNNGSSA-N	419.447	5.190	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1C(F)(F)F	443881906	IRSFDDBLDROCKF-UHFFFAOYSA-N	409.367	5.082	30	20	HKED	
CCOc1cc(Cl)ccc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N	443933848	BALUNAUDESFQRM-CQSZACIVSA-N	403.935	5.312	30	20	HKED	
C=CC[C@@H]1N(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)CCCC1(C)C	447621338	UMSHEBHKQYVHOV-QHCPKHFHSA-N	416.521	5.527	30	20	HKED	
O=C(N[C@H](c1cc(F)ccc1F)C(F)F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	447724792	YJVSQDVGWWZPKC-BFQNTYOBSA-N	421.312	5.090	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1	460749815	BJGNBXQMYSKCIT-BBWFWOEESA-N	424.125	5.240	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1	462097973	NWRKEVMDDTYKTR-QFIPXVFZSA-N	414.513	5.021	30	20	HKED	
O=C(Nc1ccc(NCCOCC(F)(F)F)c(C(F)(F)F)c1)c1ccc(F)cc1	462206025	CIFADISRRBZKQZ-UHFFFAOYSA-N	424.316	5.088	30	20	HKED	
CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	463578806	QVPWTYFIYOIBEE-GBXCKJPGSA-N	406.526	5.256	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)cc1	464966343	CNZKQFVJADWVOX-UHFFFAOYSA-N	417.412	5.064	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1	465425194	VSSIWGRHRRHJSW-LJQANCHMSA-N	409.470	5.759	30	20	HKED	
CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	468088284	VCMFUMSFUCNMMU-UHFFFAOYSA-N	418.518	5.050	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)ccc1F	468638279	ANWUGSFPEBRFAJ-ZDUSSCGKSA-N	408.951	5.745	30	20	HKED	
Cc1cc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc(C)c1OC(F)F	469124517	ZADBOMPLLMMWMH-UHFFFAOYSA-N	413.468	5.100	30	20	HKED	
CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cn(CCCC#N)c3ccccc13)CCC2	469581033	REMQWPDCFOLPNR-FQEVSTJZSA-N	406.555	5.114	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)N1CCCN(c2ccccc2C#N)CC1	471878774	VLEPZVNVTWQNJO-UHFFFAOYSA-N	404.558	5.378	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1NC(=O)c1ccccc1F	474439060	KZFUZVVIJCURKA-KRWDZBQOSA-N	421.497	5.456	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1	474443167	BZEGZRZRGSCVCV-FQEVSTJZSA-N	401.491	5.207	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](NC(C)=O)c1ccccc1OCC	476120437	CGQQWRQDUMOEDV-QFIPXVFZSA-N	408.542	5.143	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NC(=O)N(C)Cc1ccc(C#N)cc1	477964433	JBWAHQXKZRSOIS-UHFFFAOYSA-N	408.299	5.446	30	20	HKED	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)o1	480207836	GSTSUBTXJZFZLG-INIZCTEOSA-N	407.392	5.160	30	20	HKED	
CCCc1c(NC(=O)c2cnn(C(CC)CC)c2CC)cnn1-c1cccc(C#N)c1	480524667	JZAXVJJNZZYIRA-UHFFFAOYSA-N	418.545	5.069	30	20	HKED	
C[C@H]1c2cccc(Br)c2CCN1C(=O)Nc1ccc(C#N)cc1Cl	480953792	BAPKNFSOCLEPDC-NSHDSACASA-N	404.695	5.125	30	20	HKED	
CCOc1ccccc1Oc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1	481913652	GQDUKKUHHLTXLO-HSZRJFAPSA-N	413.521	5.702	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccco1	484502475	KJNKZAAYBKWAAA-LBPRGKRZSA-N	413.503	5.235	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCc1cccc(C(F)(F)F)c1	485386582	QHOXVVSXKIMSRI-UHFFFAOYSA-N	422.495	5.203	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1[N+](=O)[O-]	487450943	QZAGVCDTEPRRMB-UHFFFAOYSA-N	420.494	5.064	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1	487857650	PFTXSBKTDNIPOL-RDTXWAMCSA-N	408.468	5.130	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccc(Cl)cc1Cl	488750608	UPKODELGBDEXLE-QMMMGPOBSA-N	420.243	5.398	30	20	HKED	
COc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1OC	490497124	ZKOKMQSROPLAAD-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc(-c2ccccc2)cs1	505426326	AKXOCKMKUJTBLG-CQSZACIVSA-N	423.469	5.702	30	20	HKED	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)o1	510761911	IXPHFYWZTJSHHS-UHFFFAOYSA-N	405.763	5.446	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(C(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	511765525	SGKPITCLMOTHJI-AWEZNQCLSA-N	423.271	6.545	30	20	HKED	
C[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(C#N)cc1F	512620847	SZFBYZJELYJGQS-HNNXBMFYSA-N	406.423	5.115	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)sc2c1CCC2	512960974	FIKBAIXSNUIPJH-UHFFFAOYSA-N	405.957	5.128	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	514543940	VEIPGHOCRYZFCQ-HNNXBMFYSA-N	409.433	5.102	30	20	HKED	
CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	518739206	STLZIZXRIBYDTE-LSDHHAIUSA-N	413.568	5.159	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3cccc(C)c3)n2)cc1	519463583	XJIXQMJUCCGNDE-UHFFFAOYSA-N	405.523	5.007	30	20	HKED	
N#Cc1ccc(CNc2nnc(Cc3ccc4ccccc4c3)o2)c(C(F)(F)F)c1	519815836	KRHBVRBVOYKGIS-UHFFFAOYSA-N	408.383	5.316	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(c1ccccc1)c1ccccc1	520827686	WJNKOIUXEGSCTB-IBGZPJMESA-N	416.546	5.683	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2[nH]c3ccccc3c2Br)cc1	524572645	KOWZDTUMVJZEOF-KRWDZBQOSA-N	410.315	5.223	30	20	HKED	
C[C@@H](NC(=O)c1cc(O)ccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1	527255292	QZFNYDYACUGIAZ-CQSZACIVSA-N	410.395	5.441	30	20	HKED	
COc1ccc(OCc2nc(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)cc1	537625592	OCYWBUFJBHJRRO-DHIUTWEWSA-N	419.550	5.002	30	20	HKED	
CC(C)n1cc(C#N)c(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)n1	537904998	OAELTUKSUPTPLT-UHFFFAOYSA-N	420.416	5.215	30	20	HKED	
COc1ccc([C@H](NCc2ccc(C#N)s2)c2ccccc2)cc1Br	540600224	JQRDCVZCZUHPRQ-HXUWFJFHSA-N	413.340	5.270	30	20	HKED	
N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)CC1	541984660	NRUQTHKKQWHGIC-UZYVYHOESA-N	407.517	5.487	30	20	HKED	
CCOC(=O)c1c(CN2CCC(CC#N)CC2)nc2ccccc2c1-c1ccccc1	542879672	VCIMTDIJQOCBPS-UHFFFAOYSA-N	413.521	5.204	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	545298049	RMZIAAHQEAWWLD-UHFFFAOYSA-N	404.278	5.249	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c4ncccc34)n2)cc1	558865821	PAAWCIRUQVFMRE-QGZVFWFLSA-N	419.893	5.510	30	20	HKED	
COc1cc(CN[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C#N	573847187	FARURJHSMNNCTL-NSHDSACASA-N	402.338	5.455	30	20	HKED	
CCCN(CCN1CCCCCC1)C(=O)Nc1ccccc1SC[C@H](C)C#N	578674146	ZTEKTQXWVFCMTJ-LJQANCHMSA-N	402.608	5.058	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)cc2)ccn1	581541433	WCDBKAWFWQXJRV-HXUWFJFHSA-N	411.383	5.420	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCSc2ccccc2Br)c1	603972273	BLHKBOYQUGHVLH-UHFFFAOYSA-N	419.344	5.253	30	20	HKED	
C=CCCCCCN(C)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	606815677	SWSLSGUNGWHEHO-UHFFFAOYSA-N	422.613	5.338	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)N[C@@H](C)C(=O)Nc3ccccc3C#N)cc2)c1	609041172	DYPORWFKJWRWTK-PMACEKPBSA-N	413.521	5.124	30	20	HKED	
C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(C)(C)C)cs1	609304775	VTZLRCHVGUQCGN-HNNXBMFYSA-N	405.523	5.596	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)ccc1Cl	609376663	HUCPKWZVPHJRDU-LLVKDONJSA-N	409.736	5.607	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	609377814	GXLVIEURRVYWCH-CYBMUJFWSA-N	411.914	5.808	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2ccc(OC3CCCC3)nc2)c1	609433246	ODTGDFWMKCXITL-UHFFFAOYSA-N	413.521	5.143	30	20	HKED	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N	609437273	XMUZVLFPKHFUSK-MRXNPFEDSA-N	413.543	5.152	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	609504439	VADYWAUXLIFMET-QGZVFWFLSA-N	415.518	5.177	30	20	HKED	
C[S@](=O)Cc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	609724640	FVKOESQONKWXSH-LJAQVGFWSA-N	424.909	5.135	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(c1cccs1)c1cccs1	610019455	QNEOULYHZXVETO-AWEZNQCLSA-N	413.593	6.115	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1	610093342	DADGYTXSBAFILZ-JOCHJYFZSA-N	415.449	5.162	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1	610325168	FBWAHLXZIAZPNW-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
COCCc1ccc(Oc2ccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)cc2)cc1	610325812	NZPHPIJXDVWEPM-SFHVURJKSA-N	415.493	5.422	30	20	HKED	
CC(C)n1c([C@@H]2CCCN2C(=O)c2cc3ccccc3n2CC#N)nc2ccccc21	610494165	QIAAEUYMIIKLMU-QFIPXVFZSA-N	411.509	5.073	30	20	HKED	
COCCOCc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	610683307	GCWOBGSCNDITEV-UHFFFAOYSA-N	416.477	5.074	30	20	HKED	
COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2cccc(C#N)c2C)cc1	610905588	GZWFEBYIYSERQB-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1	611355894	LMYLYTMKLWUYPC-VXKWHMMOSA-N	420.578	5.129	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)c1ccc(C#N)cc1F	611615382	WIEATAZAPAVSBH-UHFFFAOYSA-N	404.228	5.244	30	20	HKED	
CSCc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)oc2ccccc12	611803689	YRBQBTJZIXGJOP-UHFFFAOYSA-N	422.897	5.259	30	20	HKED	
O=C(Nc1nc(CC(F)(F)F)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	622623653	CJRRDVOLMBFOIU-UHFFFAOYSA-N	422.272	5.538	30	20	HKED	
C=CCC(C)(C)c1noc(CSc2nnc(-c3ccc(Cl)cc3)n2CC)n1	645623695	GUHSQFJVSNNZBJ-UHFFFAOYSA-N	403.939	5.147	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccco2)s1)c1nc(-c2c(F)cccc2F)cs1	675918435	IAGANBVIIVYZPV-LLVKDONJSA-N	412.442	5.900	30	20	HKED	
FC(F)Oc1ccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl	678208156	MWDHVCYRWRLGDV-AOOOYVTPSA-N	411.720	5.504	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	679617730	YDCNDAXKTRICMD-OSMZGAPFSA-N	400.338	5.192	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1ccc(O)cc1	685548829	VFQDKAUXGBHQKJ-HRAATJIYSA-N	424.932	5.305	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1Cl	726484113	DHOUIHAHWQOQLR-UHFFFAOYSA-N	409.917	5.750	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1	728123309	BKMUPBHDGYQQRB-UHFFFAOYSA-N	410.424	5.052	30	20	HKED	
CC(C)CN(C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1ccc(C#N)cc1	730471578	QZHWOLHBRDFWGI-UHFFFAOYSA-N	411.477	5.347	30	20	HKED	
N#C[C@@H](C(=O)CN1CCc2ccccc2[C@H]1c1ccccc1)c1nc2ccccc2s1	731033055	MPIONKDAYVUZFF-SQJMNOBHSA-N	423.541	5.120	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccncc1	734657202	XGBFXGAILMSMMW-WZONZLPQSA-N	414.509	5.012	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)/C=C/c3ccnc4ccccc34)c2)c1	735430799	DNPYFTLUQVNQFD-VAWYXSNFSA-N	405.457	5.337	30	20	HKED	
CC(C)(CCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)NC(=O)OC(C)(C)C	737544482	STAMBKAOMGMTEK-UHFFFAOYSA-N	423.513	5.373	30	20	HKED	
CCOc1ccc(N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	739774398	NRKCCAGLOYQMKU-UHFFFAOYSA-N	402.519	5.526	30	20	HKED	
Cc1cccnc1[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(C)C	740063171	ZTMWAPWSLYWSQZ-NRFANRHFSA-N	404.539	5.187	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	744027974	FVGCHOCAJLAFKG-SFHVURJKSA-N	403.507	5.224	30	20	HKED	
Cc1ccc2c(CCC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c[nH]c2c1	745947559	DKIYJMWYUDLXOB-SFHVURJKSA-N	414.292	5.063	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	748833478	CNBQOFOHYRGBHR-XQQFMLRXSA-N	406.454	5.665	30	20	HKED	
CCSc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	752482514	IOTHEFXPUQVKHP-IBGZPJMESA-N	403.532	5.213	30	20	HKED	
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	755616980	YXZVPLNIWBOWMQ-FERCGXDMSA-N	403.463	5.307	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc(F)ccc2F)cc(Br)c1OC(F)F	757472912	AVMNVWRLEOGPQB-DJWKRKHSSA-N	419.168	5.233	30	20	HKED	
C[C@H](c1ccc2ccccc2c1)N(C(=O)Nc1ccc(F)cc1OCC#N)C1CC1	761664580	VPUIHKNEZWLGAH-MRXNPFEDSA-N	403.457	5.639	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	761847101	QBSCSFJNBPVKRP-OAQYLSRUSA-N	409.555	5.363	30	20	HKED	
CC(C)(C#N)c1ccccc1COC(=O)c1ccccc1CSC1=NCCS1	767977264	UWULUKLWCLIYRL-UHFFFAOYSA-N	410.564	5.181	30	20	HKED	
CC(C)CN(C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccc(C#N)cc1	769435167	LZHUKTHAFZZQLP-UHFFFAOYSA-N	419.525	5.112	30	20	HKED	
Cc1sc2nc(/C(Cl)=C/c3ccc(C#N)cc3F)nc(O)c2c1-c1ccccc1	772796654	JEORNRYUPVOEFF-YBEGLDIGSA-N	421.884	6.120	30	20	HKED	
C=CCOc1cccnc1C(=O)O[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	775115220	XYGMPCVWPIQDBE-GFCCVEGCSA-N	419.264	5.526	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3oc(C)c(C)c3c2)ccc1OC	775881036	VGSOGFWDDUOPAI-SFHVURJKSA-N	407.470	5.061	30	20	HKED	
C=CCC[C@H](C(=O)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccccc1	778559049	JORRFLFZZXRWEE-INIZCTEOSA-N	416.399	5.147	30	20	HKED	
COc1ccc(-c2csc(CNC(=O)Nc3ccccc3O[C@@H](C)C#N)c2)cc1	780679502	BXIPWINZJBDAPJ-HNNXBMFYSA-N	407.495	5.036	30	20	HKED	
Oc1ccc(-c2ccccc2)cc1C=Nn1c(S)nnc1CSc1ccccc1	782245851	QXRBWTHKJCJUDV-UHFFFAOYSA-N	418.547	5.114	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=S)Nc1ccc(Br)cc1	783720062	SJBBKAKGFBZMOK-UHFFFAOYSA-N	401.782	5.549	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1	788572905	VHJBZDHFSNAKIX-QFQXNSOFSA-N	424.548	5.380	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc(SCc3ccccc3)cc2)cc1	792924398	MEIDLUNIBDUBGJ-LICLKQGHSA-N	401.531	5.577	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc(OC)c1	794727877	RAQNRNWJBFOEJI-AWEZNQCLSA-N	400.862	5.432	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)cc1	795501879	BXIVXUNCKPRHGR-FQEVSTJZSA-N	412.367	5.041	30	20	HKED	
C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H]1c1ccc(O)cc1	809912059	KSSMRSPTMZZNFA-HSZRJFAPSA-N	411.509	5.035	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccccc1	814659868	QHHVQMGPGZFLPB-XMMPIXPASA-N	404.558	5.030	30	20	HKED	
N#C[C@@H](Cc1ccccc1)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814772036	MIEJPTPLXXECQS-YDDPGSGASA-N	406.557	5.740	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)OC(=O)CC1(C#N)CC1	815957985	SHBMFWIZSIZWIG-LBPRGKRZSA-N	405.317	5.179	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(NCc2ccc(C(C)(C)C#N)cc2)c1)c1ccccc1	864007309	VLZAOHRAJCYLAF-UHFFFAOYSA-N	417.940	6.030	30	20	HKED	
N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)c1	904478314	CHNCQNFKBPTNNZ-FCHUYYIVSA-N	417.472	5.277	30	20	HKED	
COC(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1	914520407	KMRCMURYJDXALI-UHFFFAOYSA-N	417.440	5.031	30	20	HKED	
CC(=NOCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(NC(=O)C2CC2)cc1	914572397	UXVBKNNQTITJQL-UHFFFAOYSA-N	409.873	5.284	30	20	HKED	
CCOc1ccc(C(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	915087802	XTCOVOMTWRTXRD-DEOSSOPVSA-N	412.489	5.342	30	20	HKED	
COc1ccc2cc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)ccc2c1	915701068	FBWVHUUAWSWEON-UHFFFAOYSA-N	424.460	5.229	30	20	HKED	
O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccc(Cl)cc2)o1)CCCC3	916288558	KXUFDZGEDTZPDD-UHFFFAOYSA-N	409.898	5.132	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(Cl)c1Cl	916310152	UVTQUDVNMNUZLR-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
Oc1ccc2ccccc2c1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl	916333581	PPBBINHJHIIBDT-UHFFFAOYSA-N	415.305	5.282	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)c1	916897811	OSPJSOAABHDCIC-CDVVCGDMSA-N	406.791	5.028	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1C(C)(C)C	916945419	AMFRLGKAGOPHJM-OAHLLOKOSA-N	421.328	5.029	30	20	HKED	
Cc1ccc(Cl)c(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917045614	YTJRJNDZQLDMLD-GFCCVEGCSA-N	424.831	5.532	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2nc(O)oc2c1	1667788031	ODLRSYACCYKCBP-FOIQADDNSA-N	412.449	5.072	30	20	HKED	
C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC4CCC4)CCC3)cc2)c1	1792124096	KGNVZCNHDJUQBW-SFHVURJKSA-N	415.537	5.252	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(C)C)CCC2)CC1	1828829571	JMUUTLNMDFIERK-DHIUTWEWSA-N	414.634	5.201	30	20	HKED	
CC(C)c1ccc(Nc2nnc(SCC(=O)Nc3sccc3C#N)s2)cc1	7793539	SCVCDRGMKPRKKQ-UHFFFAOYSA-N	415.569	5.069	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1SC(C)C	49723993	MRZADXZFXKWBOD-UHFFFAOYSA-N	403.507	5.807	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1coc(-c2ccccc2)n1	56469965	AYVJIYSTQKMGFX-UHFFFAOYSA-N	409.445	5.495	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(OC(F)F)c1	60247646	OBGQGKMUEJOTEF-UHFFFAOYSA-N	410.445	5.241	30	20	HKED	
CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)N[C@@H](C)CC)cc1	154511222	NHSKZJWKYPUWGW-HNNXBMFYSA-O	400.612	5.150	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2ccc(N(C)CCC#N)cc2)cc1	237249411	QOSCQLPBGAZBNT-AREMUKBSSA-N	417.528	5.258	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(O[C@H](C)C#N)cc3)s2)cc1	237473916	OWHLGDIRDHPKFT-HZPDHXFCSA-N	407.539	5.269	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCOc1ccccc1F	255931210	UICRYRURJWZMNR-UHFFFAOYSA-N	419.909	5.007	30	20	HKED	
C=CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1-c1ccncc1	301634628	KGECJCJJXZDINQ-UHFFFAOYSA-N	424.533	5.133	30	20	HKED	
CC(C)[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	302942391	KHTCXNCSDSUEGR-QFIPXVFZSA-N	412.942	6.047	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCCSc1ccc(Cl)cc1	303376688	UVNHUMIFKSUDIU-OAHLLOKOSA-N	404.988	6.245	30	20	HKED	
C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(OC(F)F)cc1	303629310	OJVGJVJUDQREHW-INIZCTEOSA-N	422.431	5.230	30	20	HKED	
Cc1cc(C)cc(C2=CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)c1	428786834	JAHQBZDQNAJTDH-UHFFFAOYSA-N	410.521	5.010	30	20	HKED	
COc1ccc2nc(/C=C/c3cn(CCC#N)nc3-c3ccncc3)cc(Cl)c2c1	432712027	YQWWSJIPCIZFCE-ONEGZZNKSA-N	415.884	5.239	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	435455460	VTOTWIJLKXVMFD-UHFFFAOYSA-N	405.307	5.057	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(Br)c1)c1nc(-c2ccncc2)cs1	437381349	BXWGYTNEHFQSIV-AWEZNQCLSA-N	418.703	5.111	30	20	HKED	
CCN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1	438857907	NVKZSQCJNSTCSR-OXQOHEQNSA-N	403.448	5.843	30	20	HKED	
Cc1cnc(N[C@H](CCC#N)c2ccccc2)nc1N[C@@H](CCC#N)c1ccccc1	439093238	SBTACNYIIYFHOS-XZOQPEGZSA-N	410.525	5.699	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC([C@H]3CCCO3)CC2)cc1Cl	439898598	JGQOUUIJAJAGKP-HXUWFJFHSA-N	410.901	5.035	30	20	HKED	
C=CCOc1ccc(CNCc2nc(COC)sc2-c2ccccc2)cc1Cl	441373457	SAMXQZHLFZGPNN-UHFFFAOYSA-N	414.958	5.465	30	20	HKED	
C[C@@H](Nc1cccc(CCC(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2	441768278	SGJVRPTYFBAZTK-GFCCVEGCSA-N	407.461	5.042	30	20	HKED	
C=CC[C@H]1N(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCC1(C)C	443868266	NEYNXQJGWNKLFN-VGOFRKELSA-N	422.529	5.370	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c2ccccc21	444139338	GNBQHFAOOMCVTA-XLIONFOSSA-N	411.427	5.250	30	20	HKED	
N#CCCCn1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c2ccccc21	444249450	RAROKUGAGLYFLU-IBGZPJMESA-N	403.379	5.118	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2Cl)cc1	446031780	QMOPUWDBNOMAJE-OAQYLSRUSA-N	412.823	5.018	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccccn3)no2)cc1Cl	462110846	JUNOXSYLJPQRNH-GOSISDBHSA-N	414.852	5.298	30	20	HKED	
CCCOc1ccc(CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	463106588	QUKLBIDNVJDXNJ-UHFFFAOYSA-N	415.493	5.414	30	20	HKED	
CC[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OC)cc1	463460638	IVAVZRGJPQCRIL-DEOSSOPVSA-N	414.505	5.473	30	20	HKED	
CSc1cccc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)c(F)c2)c1	466280804	YCAALIYJBQJICC-QFIPXVFZSA-N	423.488	5.664	30	20	HKED	
COc1ccc2[nH]c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2c1	466997749	HAPDXYSBYVSIHK-UHFFFAOYSA-N	411.461	5.188	30	20	HKED	
COc1ccc(SCCCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	473583366	QLYAVIDLGFILSR-MRXNPFEDSA-N	400.569	5.458	30	20	HKED	
C=CCCC1(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CC1	474431894	LRQHWESLVNJAEV-OAQYLSRUSA-N	418.537	5.180	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2N(C)C(=O)c2cccs2)n1	474445431	MLFDNJFEHGCXTL-OAHLLOKOSA-N	409.536	5.095	30	20	HKED	
Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1	475521452	NIUBWCXSXVQGAO-KRWDZBQOSA-N	412.415	5.226	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1	475543284	CGCGCLLAIRJJCP-IBGZPJMESA-N	407.558	5.195	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2c(Br)cccc2C1	475555167	LGMKJMGRXMVYNX-UHFFFAOYSA-N	413.359	5.891	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2c(-c3c(Cl)cccc3OC)noc2C)c1	475614263	XMWFBIODAUYXMS-UHFFFAOYSA-N	412.873	5.519	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H](CC#N)c1ccccc1	475936405	ZKXNVHLDZROIRR-QHCPKHFHSA-N	411.480	5.627	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	476049446	ZRGMZQPLYQAJHD-SFHVURJKSA-N	401.422	5.413	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1	479665567	UKXOFXVQYYVZPP-QFIPXVFZSA-N	418.493	5.062	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1	480657118	CRYXYIDZDUVEPU-CLOONOSVSA-N	411.505	5.671	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CC1CCC1)c1ccccc1	481272828	WZSBDLXVCOMHBV-XMSQKQJNSA-N	407.583	5.398	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2coc(C3CCCCC3)n2)cc1	485757411	NCEJQKZAKBSPEY-UHFFFAOYSA-N	415.493	5.620	30	20	HKED	
C=CCn1c(S[C@H](C)c2cnc(C)cn2)nc2cc(-c3ccccc3)sc2c1=O	488251028	LNJKESLEOYDPHB-OAHLLOKOSA-N	420.563	5.263	30	20	HKED	
N#C[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccc(Br)cc1	499381364	IBGYKXBFHUPBLJ-IBGZPJMESA-N	409.283	5.023	30	20	HKED	
CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	510857259	MZJXNIFFUULPOM-UHFFFAOYSA-N	403.457	5.852	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)c2cc(C#N)ccc2Cl)nc1-c1ccccc1	513421397	WAZCYVIWORARJZ-FQEVSTJZSA-N	419.912	5.967	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)CCCO2	513971909	SJOONVYXUQDAKR-UHFFFAOYSA-N	419.294	5.133	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(Cl)cc1Cl	518148641	YVXNCUPPJMBZLB-OLZOCXBDSA-N	408.354	5.684	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518256999	WPJKXMZWQPQIPM-UHFFFAOYSA-N	400.482	5.232	30	20	HKED	
Cc1cc(OCCCC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1Cl	518738907	DRGAOLGTRWNRQX-INIZCTEOSA-N	402.947	5.840	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519029775	XRNRCJYSHVOMEE-MWTRTKDXSA-N	411.461	5.197	30	20	HKED	
N#Cc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1Cl	519055429	CSGHDWLSPLYBIY-UHFFFAOYSA-N	410.905	5.052	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccc(C(F)(F)F)cc1	520937984	MVWAQTPNMRHLHS-CQSZACIVSA-N	423.460	5.300	30	20	HKED	
CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12	521327111	ROJMOCZLDLTXLY-CQSZACIVSA-N	420.538	5.699	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)CN(Cc1cccnc1)c1ccccc1	522797870	AUFKYOAMWUSCCG-UHFFFAOYSA-N	411.958	5.018	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	525558408	MHWRKIUOKLJMKJ-LEWJYISDSA-N	420.434	5.621	30	20	HKED	
N#Cc1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)ccc1Cl	525650060	FAFLSIHBSMQKEG-UHFFFAOYSA-N	419.655	5.353	30	20	HKED	
COc1cnccc1[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	525841972	AGKBFBVRGHATQS-FOIQADDNSA-N	420.900	5.282	30	20	HKED	
C[C@@H](c1ccccc1Br)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	532782920	FGEJPKFFAYIIIX-NSHDSACASA-N	424.245	5.147	30	20	HKED	
N#C[C@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	536441966	LKSAWOGDMUPKIP-IEBWSBKVSA-N	408.910	5.457	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1	538584732	ZTWHGZZJQFGLQJ-QGZVFWFLSA-N	424.928	5.002	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)ccc1Cl	541243031	KJAAXUHXQACLDW-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCc1cc(F)ccc1Br	542215330	ZHWNBEACUVBGDP-UHFFFAOYSA-N	407.308	5.165	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccc(Br)s2)s1	542984723	RJQQZMXRVKZSBC-UHFFFAOYSA-N	421.341	5.388	30	20	HKED	
C=CCN(C(=O)c1cc(OC)no1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	543403560	HRDKZBYOCDYDJA-UHFFFAOYSA-N	417.490	5.307	30	20	HKED	
CCc1ccc([C@@H](Nc2cccc(OCCCC#N)c2)c2ccc([N+](=O)[O-])cc2)o1	544382008	LPHBXNGTSBXFJT-QHCPKHFHSA-N	405.454	5.634	30	20	HKED	
C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1	552838955	IXFJCWODXSFBAF-FOIQADDNSA-N	416.443	5.109	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2cccnc2)cc1	554763168	ZWUKHRQNFPXXNT-UHFFFAOYSA-N	404.426	5.002	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2cccc(Cl)c2)n1	557609028	NUFAEKBVHVYLIS-UHFFFAOYSA-N	414.962	5.459	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(COc2ccccc2)C1	558189851	FWKQVQGWPMHAPE-UHFFFAOYSA-N	413.477	5.202	30	20	HKED	
N#Cc1c(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)n[nH]c1C1CC1	572514025	DVFKDLZZIHTTTO-OAQYLSRUSA-N	422.941	5.273	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C(C)C)s1	577684430	GCTDEYFKVBXQOU-UHFFFAOYSA-N	406.511	5.558	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(NC(=O)c2ccncc2)cc1	584441792	FMSPDASHYRZVDC-HNNXBMFYSA-N	424.426	5.075	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3sc4cc(F)ccc4c3Cl)n2)cc1	602751943	MTLYJUHYUDMQDS-UHFFFAOYSA-N	413.886	5.941	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)o1	603828984	BYXAFDCOAAQBFO-QFIPXVFZSA-N	419.912	6.093	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1	604365857	BTPDEUSIBVGEQJ-UHFFFAOYSA-N	407.514	5.156	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(Br)c1	604545483	FXFZVPYCEOXKJS-CYBMUJFWSA-N	423.694	5.451	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)c1nc2c(s1)CCCC2	607767850	IISLFTSOGRFZNJ-UHFFFAOYSA-N	411.571	5.148	30	20	HKED	
N#CCCN(C(=O)CSc1cccc(Br)c1)c1cccc(Cl)c1	609052762	AYJAPLMBRWUOHO-UHFFFAOYSA-N	409.736	5.141	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)cc1	609141357	LHPOCVGAIWXEKA-UHFFFAOYSA-N	414.889	5.249	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccco1	609209740	KEAPOKQXQNWPBK-QFIPXVFZSA-N	419.481	5.479	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1	609297521	MOCYFNWWORWPAR-UHFFFAOYSA-N	400.331	5.761	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCOc2ccccc21	609408771	GVNSVOICBZNRGP-GOSISDBHSA-N	400.503	5.006	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)s1	609414904	CIKRVTDQXMCBEP-KRWDZBQOSA-N	409.580	5.401	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4c(nc3O)CCCC4)cc2Cl)cc1	609453180	XDTDYHITKOEEPL-UHFFFAOYSA-N	419.868	5.236	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccccc4F)CC3)cn2)cc1	609928192	MXHDSTUCPRLHIO-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609981156	BZNICVLNWSDCQX-NRFANRHFSA-N	405.885	5.622	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F	610240151	IDLOSMHXMZDZDK-MGPLVRAMSA-N	401.215	5.497	30	20	HKED	
CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	613346499	LEVUUDCMGWCOQG-MRXNPFEDSA-N	417.317	6.006	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cn1)c1nc2cc(C(F)(F)F)ccc2s1	613405304	XJQBXHCTSMPUIP-JTQLQIEISA-N	415.318	5.219	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnccc3Oc3ccccc3)cn2)cc1	619691757	ZDGNSZABBDWIOL-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
CC(C)N(Cc1ccc(Br)cc1)C(=O)NCc1ccc(C#N)c(Cl)c1	619826309	PUYXTAWUIZGFFO-UHFFFAOYSA-N	420.738	5.094	30	20	HKED	
CC(C)(C)[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F	681491365	HXSSYUWUPDGQJO-JLIMGVALSA-N	416.328	5.172	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN(CCC)[C@H]2CCc3ccccc32)c1=S	726589262	UCZMRNMIIHKMSG-NRFANRHFSA-N	405.571	5.019	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)sc1-c1ccc(F)cc1	726733282	UQBDAYIZHRCBOQ-OAHLLOKOSA-N	412.873	5.477	30	20	HKED	
Cc1ccc(Cl)c(NC(=S)N(Cc2ccc(C#N)cc2)CC(C)C)c1Cl	728445316	ONRCKKCIOCSSDU-UHFFFAOYSA-N	406.382	6.029	30	20	HKED	
CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	728667955	HOLRBRGZDWBHAH-UHFFFAOYSA-N	414.461	5.269	30	20	HKED	
C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1Cl	728668320	SRVNYGMUWMMQKS-OAHLLOKOSA-N	420.852	5.188	30	20	HKED	
O=C(/C=C\c1nccn1CC(F)(F)F)c1ccc(OCc2ccc(F)cc2)cc1	728696946	BOCWJEONARZAIE-KTKRTIGZSA-N	404.363	5.060	30	20	HKED	
CC(=NNc1ccc(Br)cc1C(F)(F)F)c1ccc(OCC#N)cc1	731486971	HTGXFIKXUAUVPV-UHFFFAOYSA-N	412.209	5.206	30	20	HKED	
CCc1cccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c[nH]c12	731768566	PCFUTIKAVDTGQV-HXUWFJFHSA-N	410.502	5.144	30	20	HKED	
C=CCN(C(=O)c1ccc(F)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	733913235	CZWHIYDFLCLHLT-UHFFFAOYSA-N	408.285	5.484	30	20	HKED	
CC(CCc1ccccc1F)=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1	734096219	KOWFYHICAKBJOX-UHFFFAOYSA-N	403.383	5.117	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1O	734979326	NQIOQFFBNUEMII-MUUNZHRXSA-N	420.918	5.286	30	20	HKED	
CC(C)n1c2ccccc2n2c(SCc3cc(Cl)ccc3OCC#N)nnc12	735303125	LXUXRLUVYWZEIW-UHFFFAOYSA-N	411.918	5.113	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCc1cc(Cl)ccc1OCC#N	735345139	RBXBCQMLNIPWEY-LLVKDONJSA-N	414.672	5.060	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	741110931	DVOVCMYXKVKBTO-XHDPSFHLSA-N	402.928	5.315	30	20	HKED	
O=C(/C=C/c1ccccc1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1	741446909	BSYALUVGPKGXJG-SDNWHVSQSA-N	419.340	5.062	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	744032749	IFZWYXDZBOEGLV-HNNXBMFYSA-N	422.337	5.377	30	20	HKED	
CCCOc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1	744762132	WTCKKYLSIFQFHN-UHFFFAOYSA-N	424.570	5.249	30	20	HKED	
CCCOc1ccc(C=NOCc2coc(-c3ccc(Cl)cc3)n2)cc1OC	749424910	ZSNZRJPLUXKLSK-UHFFFAOYSA-N	400.862	5.343	30	20	HKED	
Oc1ccc(-c2ccccc2)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1	749444649	UIUWBDOPRIZZNI-UHFFFAOYSA-N	420.925	5.479	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccco1	750691925	VEZJWCONNMLOBG-GOTSBHOMSA-N	417.509	5.470	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	753143103	UHFAKCPBOAKBQJ-CMDGGOBGSA-N	419.487	5.738	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	756231217	KAWYLZJIHMXEOE-QGZVFWFLSA-N	411.870	5.181	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC=C(C(F)(F)F)CC2)c1=S	756909234	JIKLSCMDUYRYIL-UHFFFAOYSA-N	414.884	5.072	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccnc(Br)c1	758184340	NFQYBAVCVWFAPZ-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(F)cc1OCC#N	760784537	UXFFCJQKCDWTQF-UHFFFAOYSA-N	401.850	5.066	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2cc(C)ccc2C)c1=S	761832683	YAYBMQKYDIRIDQ-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2cc(F)cc(C(F)(F)F)c2)cc1	772804213	CETUUBNVXTYQIY-FARCUNLSSA-N	404.363	5.053	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2csc(-c3ccccc3C)n2)cc1	774582068	YUCVLSRIPBRUGR-UHFFFAOYSA-N	406.507	5.380	30	20	HKED	
C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1	782777005	FEVNSSFAEXNOPR-RTBURBONSA-N	411.505	5.594	30	20	HKED	
CS/C=C/C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	783558088	VEEMOWQQUAVSTF-VUDBWIFFSA-N	411.289	5.321	30	20	HKED	
O=C1/C(=C/c2ncc(C(F)(F)F)s2)CSc2ccc(Br)cc21	788353950	CGPZLYZHNYTBNY-XVNBXDOJSA-N	406.248	5.296	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F	789891728	ZVFFRESEQAXWSA-LJQANCHMSA-N	412.477	5.082	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1cccc(F)c1[N+](=O)[O-]	790310770	OZXMDPKSLCNNCR-UHFFFAOYSA-N	401.829	5.142	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C	793439903	RAQXRNATEHXVMQ-UHFFFAOYSA-N	413.562	5.166	30	20	HKED	
Cc1nc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)cs1	799602641	WRHOGQQCONEDGK-FQEVSTJZSA-N	411.486	5.233	30	20	HKED	
COc1cc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1OCC(F)F	809154775	FGJZEQNZKXQTDW-HJWRWDBZSA-N	401.409	5.034	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cscc2Br)cc1	814405355	HBQSFWALYZYZGG-GOSISDBHSA-N	411.324	5.347	30	20	HKED	
N#Cc1cscc1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl	814614195	SAGUVFLKIRDBNH-UHFFFAOYSA-N	424.092	5.029	30	20	HKED	
N#C[C@H](CCc1ccccc1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	904489424	GKJFQPNPTUARMN-QFIPXVFZSA-N	419.488	5.375	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(OC(F)F)ccc3ccccc23)S1	915849119	ZLUWEJOMXOHNQF-XDHOZWIPSA-N	424.472	5.950	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)nc2ccccc12	915860025	DMYKFBIPWZOOGS-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)cc1OCC	915988399	VPHCFCBAYRXTIH-JXMROGBWSA-N	402.874	5.051	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccc2ccccc2n1	916848479	CVJXMIYYBVQFPO-FQEVSTJZSA-N	412.876	5.810	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1sc2cccc(Cl)c2c1Cl	916883567	MVQZXEWPFUBRQQ-LLVKDONJSA-N	423.708	5.823	30	20	HKED	
CSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916910258	SFHMILAQCCMIDM-IBGZPJMESA-N	402.475	5.162	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976803	UBPDWAHPHGINRP-SFHVURJKSA-N	405.910	5.603	30	20	HKED	
Cc1[nH]c2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cccc2c1C	916976930	XOLSRWKFSLTEBQ-GOSISDBHSA-N	405.910	6.052	30	20	HKED	
C=CCn1c(Sc2nn3cc(-c4ccccc4)nc3s2)nnc1-c1ccccc1	917029449	JJOXIUSUSMHJLW-UHFFFAOYSA-N	416.535	5.054	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	918322733	KRBJNHHVJIKNIX-ZCYQVOJMSA-N	409.489	5.256	30	20	HKED	
Cc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1	1790253781	RFSRHDTUPYEKHX-UHFFFAOYSA-N	423.516	5.123	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(C)o3)CCC2)cc1	1791728935	HOXVGRNHRDRCPN-VHEBQXMUSA-N	418.537	5.319	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1819304403	ATZKFNJXSLYOOP-PZJWPPBQSA-N	412.578	5.141	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828352589	OIKRUAZBHSPUNI-SMIHKQSGSA-N	412.618	5.121	30	20	HKED	
C=CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(OC)cc1	5853814	UGHAQJSIHIMRCN-UHFFFAOYSA-N	423.582	5.017	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(C)c(C)c2)cc1	11160402	XBGBSKBUFBZVCZ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1	24702598	XXWBMOMDKBIAJF-UHFFFAOYSA-N	408.335	5.621	30	20	HKED	
N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccn1	41493374	DQSLYCBRDZGZAL-FQEVSTJZSA-N	412.880	5.137	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1	72025301	OACNLFVKHCAXOP-UHFFFAOYSA-N	410.395	5.859	30	20	HKED	
O=C(Nc1c(F)cccc1N1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	110638850	CLHPBFNACBWNJW-UHFFFAOYSA-N	420.328	5.716	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(C(F)(F)F)ccc2F)c1	112520458	IZTWFYCCWIOEHG-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	303377583	LRZBLEDSHYPZQV-IRXDYDNUSA-N	424.570	5.245	30	20	HKED	
N#C[C@H](NC(=O)CCc1cc(Br)cs1)c1cccc(Cl)c1Cl	303379417	MEOGXPUAQOOOMQ-ZDUSSCGKSA-N	418.143	5.131	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(OCc2ccccc2)cc1	303828072	AZGYTTMJHZCHAR-SFLYRZDNSA-N	418.443	5.028	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2CC(F)(F)F)cc1	304063139	RZCLOKWKYNILQY-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1	409847695	XNWIAPBBQIJNAX-UHFFFAOYSA-N	422.447	5.602	30	20	HKED	
O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc(F)cc1C(F)(F)F	428811596	JQVPGAXRVIGAOU-UHFFFAOYSA-N	408.298	5.725	30	20	HKED	
N#CCSc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1	429794026	NZRVMWJURPYQHL-UHFFFAOYSA-N	408.523	5.006	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1	432770825	IOZGYPBKKIHIFM-NRFANRHFSA-N	406.530	5.162	30	20	HKED	
COc1ccc(Br)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	432827578	FNPFCDSXZDEQER-KRWDZBQOSA-N	402.292	5.014	30	20	HKED	
N#C[C@H](C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nc2ccccc2n1C(F)F	435460526	YQDDKCZUKMTHIE-MRXNPFEDSA-N	420.394	5.486	30	20	HKED	
C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1	438069687	CDDLJOMTOUOSRM-AABGKKOBSA-N	414.619	5.057	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)CC1	438385466	CQHTYKIABQFHLX-UHFFFAOYSA-N	402.292	5.066	30	20	HKED	
CCCc1c(NC(=O)c2cnc(-c3ccccc3)s2)cnn1-c1cccc(C#N)c1	440072361	CXINOIVDIHSQSP-UHFFFAOYSA-N	413.506	5.072	30	20	HKED	
C[C@@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(Br)s1	443303759	AEFVXVNQFFMLDG-VNQPRFMTSA-N	418.360	5.053	30	20	HKED	
Cc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(C)c1O	443572746	UHPVDXZTSKBPKV-UHFFFAOYSA-N	401.466	5.298	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2C(C)C)cc1	443874925	DIRGXIWJVMRMTD-UHFFFAOYSA-N	412.415	5.447	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1Cc2ccccc2C[C@H]1c1ccccc1	464724686	INDMFYHFWIUKBW-QHCPKHFHSA-N	413.546	5.040	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CCCC1	465269556	VYEJQARIKQFMOO-QGZVFWFLSA-N	411.546	6.054	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)N(c1ccc(OCC)cc1)C1CCN(CC(F)(F)F)CC1	466432117	UNUCEWNDAVPQMO-QGZVFWFLSA-N	412.496	5.047	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1	467612173	YDTZLRCLCNAHOR-PKTZIBPZSA-N	401.897	5.314	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(-n2cccn2)c1	467705159	OENVACSJIWYYME-SJORKVTESA-N	405.527	5.007	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCC(F)(F)F)CC(F)(F)F	468513732	DRAJSERWPVURNA-JTQLQIEISA-N	409.292	5.227	30	20	HKED	
CCOc1ccc(C#N)cc1N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	471384475	ZFNOVDBRLNYWIA-LLVKDONJSA-N	403.269	5.487	30	20	HKED	
COC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	472681888	AMXQFTCUYMVINU-AZUAARDMSA-N	409.873	5.098	30	20	HKED	
CC(C)n1nc2c(c1NC(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2	473807171	JLMBRWKKTWCHRO-QGZVFWFLSA-N	413.525	5.374	30	20	HKED	
COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	474497935	ZKMFOBFTKPZUJW-QFIPXVFZSA-N	415.493	5.072	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cccc(COC(C)(C)C)c2C)c1C#N	474913635	DYNCWHXTOCHYDX-UHFFFAOYSA-N	409.555	5.428	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccs1)Cc1cccs1	475580628	ZJHHTLCGENTPCX-UHFFFAOYSA-N	410.608	6.896	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	477442123	HEPUKOMJFCBUKQ-YLJYHZDGSA-N	423.488	5.309	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1	480477394	QQMLOUQZQKHHMS-UHFFFAOYSA-N	416.506	5.679	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1	480633431	FZTNTBABZHTMDQ-XDHUDOTRSA-N	413.477	5.584	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c12	483205489	ZGNZVCBPVFNEQS-SFHVURJKSA-N	422.444	5.644	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3nccc4ccccc34)cs2)cc1	483225877	FVICBOLLXDHQCS-HXUWFJFHSA-N	413.502	5.636	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H](C)c1ccccc1OC	483696751	IQIMWCAOYKMVJA-HNNXBMFYSA-N	420.322	5.305	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl	485398369	KCUNRDWWFQRIGC-LLVKDONJSA-N	401.340	5.188	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc(Br)cc2cccnc12)c1ccccc1	487384867	BJYRQBOKQWTNEA-LJQANCHMSA-N	408.299	5.162	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCC[C@H](C)C1	488096403	FMTOLMLWQDKPCM-OTWHNJEPSA-N	415.603	5.084	30	20	HKED	
CN(c1ccccc1)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cn1	496594747	SNQWNNNYMOVQEX-HXUWFJFHSA-N	410.502	5.463	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	496687805	FSVKZQYIIBQPCY-UHFFFAOYSA-N	414.914	5.118	30	20	HKED	
C=CCOc1ccc(CN[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1OC	500899800	VQIKISGCKYHTTN-HSZRJFAPSA-N	401.506	5.540	30	20	HKED	
CC[C@@H]1C[C@@]1(NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C)c1	502561479	CMBVOPRKWKMWLW-IECBHUPTSA-N	407.583	5.243	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1	505522356	CBINEJSFZXWYKV-HSZRJFAPSA-N	406.551	5.634	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1/C=C\c1ccccc1	505839433	MLFUJOILFBVDOT-OSUSHOSWSA-N	405.567	5.055	30	20	HKED	
N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3Cc3ccccc3)CC2)c(F)c1	505886892	OAWCSULHUZFFHS-UHFFFAOYSA-N	413.496	5.143	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc(C)nc21	505949473	TZFZCNXZMGNFGX-SGTLLEGYSA-N	416.312	5.012	30	20	HKED	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12	509543655	VNDQENJFTWOJHS-QGZVFWFLSA-N	423.501	5.044	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21	509968681	MKCIBUBFEFPVHJ-KRWDZBQOSA-N	416.344	5.330	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2)cn1	510155864	GESJIGSOOOVOEH-UHFFFAOYSA-N	419.484	5.016	30	20	HKED	
C=CCOc1c(Br)cc(CNc2cccc(COC)c2)cc1OCC	513014022	DJQXYLWVDWYREW-UHFFFAOYSA-N	406.320	5.171	30	20	HKED	
C=CCn1c(Sc2nc(C)nc3scc(CC(C)C)c23)nnc1-c1ccncc1	515541415	YSDHBLAEAGIIQE-UHFFFAOYSA-N	422.583	5.189	30	20	HKED	
CC(C)(C)[C@H]1CCc2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2C1	516769298	DZXLTXYTYNQLMZ-IRXDYDNUSA-N	421.591	5.908	30	20	HKED	
CC(C)c1nc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)cs1	517453370	HBPFHQKZTQUDHA-CQSZACIVSA-N	405.614	5.390	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1	517492442	ZOCQFYKEHLZXRD-NRFANRHFSA-N	413.477	5.022	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1	518754497	OVNKXBUSOPLDFC-WIYYLYMNSA-N	408.571	5.039	30	20	HKED	
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519060351	XSDVUJRZZUTJSK-UHFFFAOYSA-N	418.522	5.547	30	20	HKED	
CCCOc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Cl	520324594	FHLCINQGCGGSSL-UHFFFAOYSA-N	407.857	5.440	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(Cc2ccc(F)cc2)CC1	520855109	CMIGGZZKWGMUMC-KRWDZBQOSA-N	411.546	5.564	30	20	HKED	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc(COc2cccc(C#N)c2)c1	522303398	ABARBUZRDKLNHB-MRXNPFEDSA-N	404.432	5.186	30	20	HKED	
CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1	523136565	WPKVSDTXDANIME-UHFFFAOYSA-N	412.493	5.036	30	20	HKED	
Cc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)n1CCc1cccs1	524243393	IDIBTGKPGWHHPM-UHFFFAOYSA-N	416.575	5.722	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1	542203396	AJBNDBZFZZTELL-UHFFFAOYSA-N	414.509	5.400	30	20	HKED	
COc1ccc(COCc2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1	547069161	KEBNXLRSIQAZSD-UHFFFAOYSA-N	413.433	5.126	30	20	HKED	
Cc1cc(C#N)cnc1C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12	551922889	FAMNQQXRAVFSPO-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	553486825	PAYQNPJGUDHJBX-HNNXBMFYSA-N	421.884	5.934	30	20	HKED	
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	564438384	HALUOSNJIUOXAE-FQEVSTJZSA-N	404.495	5.348	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H](CCO)c3ccc(Cl)cc3)c2)c1	568319618	MONBIMNLZAHAQK-DEOSSOPVSA-N	406.913	5.004	30	20	HKED	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	578286074	FDFPETGBNPOUPC-GOSISDBHSA-N	400.482	5.587	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(Br)cn1	578697227	GGKWIZULSKIGDM-CVEARBPZSA-N	406.327	5.795	30	20	HKED	
COc1cccc(/C=C(\CC(=O)N[C@@](C)(C#N)C(C)C)c2nc3ccccc3s2)c1	585720287	WOOGQRGMDFACMR-VHFIJRQBSA-N	419.550	5.290	30	20	HKED	
N#CCCCCCC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	588358204	ADXVLKRAIDRIQA-QHCPKHFHSA-N	424.589	5.176	30	20	HKED	
C=CCSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(OC)cc1	589260080	DVEBERJRXRLAEG-RUZDIDTESA-N	418.562	5.291	30	20	HKED	
COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cs1	592974347	QXYSECLDMXJHDQ-CYBMUJFWSA-N	409.467	5.058	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1	603705687	CJMBPRCBRSLHSB-MBSDFSHPSA-N	419.569	5.453	30	20	HKED	
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603759240	ZLFRSULQGGRODL-IBGZPJMESA-N	421.840	5.165	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)CSc1ccc(C(F)(F)F)cn1	603968464	VTAHIGPFOLYWCO-UHFFFAOYSA-N	419.453	5.431	30	20	HKED	
Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	604086111	ZDUKALPWZPAJCZ-GOSISDBHSA-N	412.493	5.344	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2SCC2CCCCC2)cc1	604309845	SBOXFBWLORFESV-UHFFFAOYSA-N	424.570	5.314	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(CC(=O)N(CCC#N)c1ccccc1)C1CC1	604323593	UITJTKOKYXDCSV-KRWDZBQOSA-N	415.459	5.178	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccncc2)nc2sc(-c3ccccc3)cc2c1=O	605076290	VYIHNPNLWTVTGW-OAHLLOKOSA-N	405.548	5.559	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1Br	609434758	OPKCLAZVRLCXOM-CQSZACIVSA-N	418.360	5.507	30	20	HKED	
C=C(C)COc1cc(CNC2CCC(Oc3ccccc3C#N)CC2)ccc1OC	609544816	CNONNGQRKOCNJR-UHFFFAOYSA-N	406.526	5.002	30	20	HKED	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(C(F)(F)F)(C(F)(F)F)C1	609765788	UXPXITNQLVHNEX-UHFFFAOYSA-N	411.708	5.220	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc3cccc(C)c3c2Cl)c1C	610053657	GKMWKVUZOODCLR-UHFFFAOYSA-N	420.925	5.790	30	20	HKED	
N#Cc1ccc(CN(C(=O)c2sc(-c3ccccc3)nc2C(F)F)C2CC2)cc1	611182672	RMBWVJPIFAJVPW-UHFFFAOYSA-N	409.461	5.424	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c2C(F)(F)F)c1	613292441	JTTCXOZIYBRBAU-QGZVFWFLSA-N	420.394	5.238	30	20	HKED	
CC(C)OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	620304560	NAJIOMYFVPBKJW-MRXNPFEDSA-N	412.461	5.503	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	622566030	BWWKRKOXIHHROU-HWPZZCPQSA-N	407.329	5.285	30	20	HKED	
COC[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F	672601575	LZNALWYHYXOSMN-OXIWPEFWSA-N	421.784	5.666	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674444431	YKLPCUSLQIYERE-WQAKAFBOSA-N	421.303	5.083	30	20	HKED	
CCCCn1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1CC	683220606	BUBAWWQFVFUWSP-ZDUSSCGKSA-N	420.460	5.364	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726074153	MMUJNJOEVNXMGN-DEOSSOPVSA-N	417.940	6.438	30	20	HKED	
FC(F)Oc1ccccc1C=NOCc1nnc(-c2c(Cl)cccc2Cl)o1	726594721	NSADJOMXZVNFTJ-UHFFFAOYSA-N	414.195	5.196	30	20	HKED	
N#C[C@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc2ccccc2n1C(F)F	727038031	CLTPILNIROUTRL-UTKZUKDTSA-N	409.436	5.308	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	729888526	HFKLRFLTLZOARV-HVJWIITASA-N	412.489	5.378	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCOc2ccc(Cl)cc2Cl)c1	733772934	JAHBTKQDORNWGQ-KRWDZBQOSA-N	421.324	5.150	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2c(F)cccc2F)cs1	735615071	KSALQSQZNRRREX-UHFFFAOYSA-N	406.845	5.205	30	20	HKED	
CC(=NOCc1nccn1CC(F)(F)F)c1ccc(OCc2ccccc2C)cc1	736610939	SPVAPUBLQQSAJU-UHFFFAOYSA-N	417.431	5.274	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(C)=NNc3cccc(C(F)(F)F)n3)c12	739421736	OYQZHMCCHBFUAU-UHFFFAOYSA-N	412.419	5.033	30	20	HKED	
CSc1ccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	740647097	BTHYUOPCBNYXQP-HXOBKFHXSA-N	402.519	5.470	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)Nc3cccc(OCC#N)c3)c2)c1	741541022	LWVCVXFZHJONOA-UHFFFAOYSA-N	402.519	5.750	30	20	HKED	
CCCCOc1ccc(C=NO[C@@H](C)c2nc(-c3ccccc3C)no2)cc1OC	744444652	YNKGIJCYMYNPFN-KRWDZBQOSA-N	409.486	5.344	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c[nH]c3cc(C)ccc23)cc1	745947535	CPIJTPSNLFCDHG-QFIPXVFZSA-N	401.510	5.099	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	745947635	HRRSVHOVOFFPAA-BEFAXECRSA-N	410.926	5.745	30	20	HKED	
Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	746335343	VESUAGXWVZJCMC-UHFFFAOYSA-N	405.307	5.057	30	20	HKED	
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cc(C#N)cs4)nc(O)c23)cc1	748439028	JHBHFAGOQIWTBF-APSNUPSMSA-N	409.923	6.042	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC	749451044	GXXAHQYSHCKBHS-UOEVCUDDSA-N	410.539	5.381	30	20	HKED	
N#CCCN(C(=S)Nc1ccccc1-c1ccccc1)c1ccc2c(c1)OCCO2	750979116	BNJDFYWHGRUQFN-UHFFFAOYSA-N	415.518	5.242	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCSC3(CCCCC3)C2)cc1	750991525	VSKGETRLBNJIME-QFIPXVFZSA-N	405.567	5.626	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)CCCc2cc(Cl)sc2Cl)c1	755318278	BXOKZZKGSLYYEU-OAHLLOKOSA-N	411.354	5.375	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)ccc1OC	756706779	QDHOBDZUWTVKKR-GXTWGEPZSA-N	409.313	5.239	30	20	HKED	
CC(C)Oc1ccccc1C=NO[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1	757617079	YDIKMBNXIIRJAX-CYBMUJFWSA-N	420.296	5.942	30	20	HKED	
C[C@H](ON=C(N)c1ccc(Cl)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760434082	ULTVWJKZWKTGGL-VIFPVBQESA-N	411.676	5.095	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1	762776824	FGBDILOOTDABNY-OPAMFIHVSA-N	416.352	5.645	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CC=C(c3ccccc3Cl)CC2)c1=S	768471934	SJBYSLRWLJTAIY-UHFFFAOYSA-N	423.973	5.062	30	20	HKED	
Cc1csc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	774054879	NAPHPIMSBOTGLA-CYBMUJFWSA-N	422.362	5.691	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@H](CC)Cc1ccccc1Br)c1ccncc1	776150764	UPIOMKSPWAHPKG-UYAOXDASSA-N	416.363	5.124	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)c1	778295731	SGYLBVDWZHRRFS-OAQYLSRUSA-N	420.852	5.102	30	20	HKED	
N#C[C@H](C(=O)c1cc(OCc2ccccc2)ccn1)c1nc(-c2ccccc2)cs1	779194039	JDWPKUMGVIAEGA-HXUWFJFHSA-N	411.486	5.274	30	20	HKED	
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CC(C)(C)Cc1ccc(Cl)cc1	783077474	RBULBJCVGHMRIO-SFHVURJKSA-N	412.917	5.045	30	20	HKED	
CC(C)(C)OC(=O)NC[C@H](NCc1ccc(CC#N)cc1)c1ccc2ccccc2c1	784269512	RJEZXOIFVWHBAW-DEOSSOPVSA-N	415.537	5.261	30	20	HKED	
Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1C(C)(C)C	787185923	DCSNGUDJNUFWLE-SEYXRHQNSA-N	421.928	5.748	30	20	HKED	
N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nccc2ccccc12	792094163	DGPVRPFHBMEVAP-SZLZGVTBSA-N	400.787	5.710	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	796763885	NBGDENXQZQYINF-SFHVURJKSA-N	412.946	5.277	30	20	HKED	
Cc1ccnc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc12	796796407	DFJTYUYHIKFGKY-NRFANRHFSA-N	421.456	5.297	30	20	HKED	
C[C@H](NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1	820802963	FUIWHSNEEMKBKQ-SFHVURJKSA-N	421.541	5.127	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@H](C)ON=Cc2ccccc2Br)c(Cl)c1	851984834	VJUGNJILPSBUFA-ZDUSSCGKSA-N	409.711	5.097	30	20	HKED	
CC(C)(CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CC(F)(F)F	883977888	ZHJSZATUIQPZPQ-MYJAWHEDSA-N	401.313	5.381	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	915085306	ACBDMVDPEILWOY-IBGZPJMESA-N	402.906	6.462	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4ccsc4)no3)n2)cc1	915100600	WLDHNCXCLNXJQF-INIZCTEOSA-N	420.519	5.039	30	20	HKED	
CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(OCC#N)cc1	916311564	DQXRPLAGOGXFJY-UHFFFAOYSA-N	413.506	5.405	30	20	HKED	
O=C(O)c1cc(NN=Cc2csc(COc3ccc(Cl)cc3)n2)ccc1Cl	918707837	QRVPCOXDIPZHJR-UHFFFAOYSA-N	422.293	5.173	30	20	HKED	
Cc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1	1785950641	HUXLQMGKGAOHRG-UHFFFAOYSA-N	421.928	5.090	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCSC3)CCC2)cc1	1789455654	YYHPORKBSJZFAY-WIYYLYMNSA-N	412.599	5.032	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(F)cc1	6094271	HTGAGKDWFXCSSD-CYBMUJFWSA-N	416.909	5.043	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)c1	22729782	XSRHXHQMLQFEAB-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
C=CCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1nc2c(s1)CCCC2	39538860	XMUZHQBITRRKAD-UHFFFAOYSA-N	407.539	5.137	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccoc1C	60384050	UVIMZTIKTRCSOL-WBVHZDCISA-N	424.570	5.665	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(C(C)C)n1	97292701	AMBMNKSPYOFWGH-UHFFFAOYSA-N	420.991	5.569	30	20	HKED	
N#C[C@@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc2ccccc2n1C(F)F	195557450	LQZXFGLEPQUOFP-INIZCTEOSA-N	415.399	5.545	30	20	HKED	
CCCC(=O)Nc1cccc(CNc2c(C#N)cnc3ccc(OC(F)F)cc23)c1	301102762	SAMOGUAJIVOEKW-UHFFFAOYSA-N	410.424	5.059	30	20	HKED	
Cc1ccc(-n2c(Sc3ccc(Cl)c(C#N)n3)nnc2-c2ccncc2)cc1C	301515787	JTHQHHXEDYQZLC-UHFFFAOYSA-N	418.913	5.017	30	20	HKED	
C=CCn1c(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1cccnc1	302703049	UTTDPVIEYFLFBA-NRFANRHFSA-N	418.953	6.061	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1[C@@H](C)c1ccccc1	303291035	AWACZBDMTSHAOI-MJGOQNOKSA-N	417.578	6.218	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1C	429110674	CDTUSFVFONPPCY-INIZCTEOSA-N	412.415	5.037	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	431750338	AWFPXQLCMHFBGE-MRXNPFEDSA-N	416.456	5.141	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H](c4ccccc4)C3)c2)c1	432918438	SCTDUAPJDRBVNQ-QFIPXVFZSA-N	424.504	5.222	30	20	HKED	
O=C(NCc1ccccc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	435852740	ZCDVWVXXLUTEJU-HNNXBMFYSA-N	408.317	5.337	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1oc2ccccc2c1CSc1cccs1	437488109	CLMUEJULZDESET-FOIQADDNSA-N	413.564	5.498	30	20	HKED	
N#Cc1csc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1	437701931	QAPFBCXCVLNDPT-UHFFFAOYSA-N	410.364	5.545	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(N(C)c2ccccc2)CC1	438668985	QDXWVWFICQVULP-GOSISDBHSA-N	408.571	5.071	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC2CCC(C#N)CC2)cc1	441145922	UHCAGMAPPGPENP-UHFFFAOYSA-N	415.537	5.222	30	20	HKED	
N#Cc1ccc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1C#N	460109070	SKEXRNIHYOSVBN-OAQYLSRUSA-N	405.429	5.180	30	20	HKED	
C[C@@H](C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cccc(C#N)c1	462482703	IGSVSUKUZJLDDN-AUUYWEPGSA-N	405.498	5.118	30	20	HKED	
C=CC[C@H](CC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	466543349	UAXRIOVBSWUANY-QQQXLFEASA-N	411.430	5.580	30	20	HKED	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2C#Cc2ccccc2)o1	467387603	HFOYHGPTVODPFV-QHCPKHFHSA-N	400.478	5.195	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)cc1	468318766	VHSRCVUPNFHWCO-GOSISDBHSA-N	421.545	5.325	30	20	HKED	
CSc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(Cl)cc1Cl	471274892	ZTGCXGNPTWFLME-LLVKDONJSA-N	411.379	6.219	30	20	HKED	
CC(C)c1nnc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1	473655412	BYGZMDNYWPCION-SFHVURJKSA-N	408.889	5.073	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1	475549546	QHIFRTNJQGLPQB-SFHVURJKSA-N	405.542	5.548	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C	480045062	NUHVHBHQJRRKII-OAHLLOKOSA-N	404.470	5.087	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1	481300384	KGPILTRCZPXWBK-UHFFFAOYSA-N	416.884	5.001	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2)no1	483201288	QDWDULXTPZHIHA-FQEVSTJZSA-N	410.477	5.363	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nccc2ccccc12	483220059	NEOSRZIMUIHXDI-JOCHJYFZSA-N	410.860	5.609	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cc(Br)ccc1OCCOC	486427352	WUOMRWTWJZSZEK-UHFFFAOYSA-N	422.344	5.005	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccccc1	488346126	KNMBRNGRMVDMCQ-IBGZPJMESA-N	405.885	5.286	30	20	HKED	
CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501431571	BFIKPYYNPXWMFC-UHFFFAOYSA-N	418.468	5.267	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC)c(OC2CCCC2)c1	503767952	FGXRDAYQWLYLKS-UHFFFAOYSA-N	421.541	5.010	30	20	HKED	
Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1	504428589	DKRJMEMIYAWDST-UHFFFAOYSA-N	424.298	5.466	30	20	HKED	
CCc1nnc([C@H](C)Sc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)o1	504563533	NQYONRCILBMHGQ-JTQLQIEISA-N	408.405	5.339	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(Cl)c(Cl)c1	505927978	GTLDMHVCCWVMSF-QGZVFWFLSA-N	420.296	5.180	30	20	HKED	
N#Cc1ccc(NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)c(F)c1	506812430	LLKKQWLDZJTCQO-UHFFFAOYSA-N	403.457	5.107	30	20	HKED	
CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2cccnc2Oc2ccccc2)no1	508054808	QAWDNJHQXMOORN-UHFFFAOYSA-N	400.413	5.261	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cc(C)no2)cc1	508239120	DGWRIPYWOOLAOO-IBGZPJMESA-N	418.453	5.025	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@]2(CC=CCC2)C1	508950520	KENGGNYEEPSMMZ-HWBMXIPRSA-N	404.558	5.036	30	20	HKED	
O=[N+]([O-])c1cc(F)c(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	509008190	WQABCEPAIKWSBM-AWEZNQCLSA-N	414.252	5.285	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	509579479	MMYIIXKLAMHWJN-UHFFFAOYSA-N	411.461	5.048	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510652315	WAYLGFHAIBAFNF-UHFFFAOYSA-N	423.419	5.616	30	20	HKED	
C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	511409343	IPKFMMQLSIBILB-HSZRJFAPSA-N	405.885	5.172	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F	511992605	UYNPEQDBJXSDHE-AZUAARDMSA-N	401.432	5.055	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2ccccc2[nH]1	513671742	LUCJEBAUISHAAD-INIZCTEOSA-N	422.366	5.259	30	20	HKED	
CC(C)(C)[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(F)cc1	514879997	GCNULLQUNLMNDQ-QFIPXVFZSA-N	409.505	5.038	30	20	HKED	
CSc1ccc(C)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1	515576963	FCHFXRGDGUPPNL-UHFFFAOYSA-N	402.519	5.614	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c2ncccc12	516072444	MUXMMVVEMFCKEV-UHFFFAOYSA-N	410.424	5.152	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccccc1C(F)(F)F	517529472	BKQKRCNYGKPYHW-AWEZNQCLSA-N	407.461	5.464	30	20	HKED	
CCc1cccc2c(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c[nH]c12	517595264	VGJKJBCYOJDISH-UHFFFAOYSA-N	423.516	5.557	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1	518165476	FXZLZNNYYIWERB-HXOBKFHXSA-N	419.525	5.989	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl	519485144	HGOWEFSDRUWLJZ-LZWOXQAQSA-N	413.226	5.497	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)c(F)c1	522133301	LNJIQXBDEWELCF-LBPRGKRZSA-N	422.323	5.304	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1	522452557	PAMBNPIBZQLQDR-MUUNZHRXSA-N	410.564	5.276	30	20	HKED	
COc1ccccc1CCN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	522639461	LXKJLUDSYBMHFV-UHFFFAOYSA-N	420.896	5.327	30	20	HKED	
Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccccc1Sc1ccccc1C#N	522644162	IZWQWEOLMJOGIU-LJAQVGFWSA-N	420.559	5.149	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1	524421776	KKVINMSVSHNQNR-UHFFFAOYSA-N	420.774	5.655	30	20	HKED	
N#C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C1CCCCC1	524534455	UURWUMCCUMCXCS-LJQANCHMSA-N	412.946	5.804	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	524565355	QPPWZEOZGQQRCX-SJORKVTESA-N	413.612	6.322	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nnc1-c1ccc(F)cc1	525623442	DOFJXXIEXUYJHN-CYBMUJFWSA-N	404.536	5.117	30	20	HKED	
CCC(CC)N(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1	526118060	SHBWHZAZMWURJL-OAQYLSRUSA-N	423.944	5.114	30	20	HKED	
Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)sc2nccn12	533675470	UYWFQLUBDBRFRJ-QGZVFWFLSA-N	406.898	5.265	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl	534139716	DHTUBRYSNBMZQD-HXUWFJFHSA-N	403.869	5.376	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc1	534777973	TZOAQFCVDUKKDF-HSZRJFAPSA-N	414.465	5.027	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1	539716620	IQCALIMHMKXQJY-UGKGYDQZSA-N	407.514	5.374	30	20	HKED	
CC(C)(C)[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	540400093	AISGTRLTEJYZMB-LJQANCHMSA-N	414.431	5.504	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1	542002960	MCXUTSPDSYSPCR-CYBMUJFWSA-N	406.473	5.821	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC(F)F	542947666	GNLJNTJHYYKIPH-INIZCTEOSA-N	408.448	5.686	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1Cl	544229142	IYKAOSGRXRJNOU-CYBMUJFWSA-N	410.724	5.405	30	20	HKED	
C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2cccs2)CC1	549961206	AMJBNDLJHYEVKI-SFHVURJKSA-N	424.570	5.083	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1	551339393	SARJJCJESSOELU-UHFFFAOYSA-N	414.358	5.547	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)cc1	556268246	CNHYFJURYPBRBR-UHFFFAOYSA-N	407.514	5.667	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1	561238098	MFGVNDBXTYCFHS-UHFFFAOYSA-N	405.464	5.119	30	20	HKED	
C=CCCC1(c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)CC1	570810308	LTOKPQGUPZCIIW-UHFFFAOYSA-N	413.521	5.524	30	20	HKED	
N#Cc1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)c(C(F)(F)F)c1	580504272	QAUOTJNMDDHBNM-UHFFFAOYSA-N	403.379	5.237	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12	582444618	LZAHORINBBBRQR-HSZRJFAPSA-N	409.530	5.058	30	20	HKED	
C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H]1c1nc2ccccc2s1	584081940	RDMUVIXFJIEFAJ-LJQANCHMSA-N	401.539	5.391	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1OCCC(C)C	592973157	AAIHCVUTWFJVQK-INIZCTEOSA-N	412.486	5.359	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	598543913	DEZZJXUGIBROFZ-UHFFFAOYSA-N	423.812	5.173	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnn(C(C)(C)C)c1C	603754890	HFZQQFBDTWMAIQ-UHFFFAOYSA-N	404.489	5.113	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCCCc2ccc(Br)cc2)c1	603972309	KZMGOBJBURNHTL-UHFFFAOYSA-N	415.331	5.483	30	20	HKED	
CC(C)(NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1	605955211	BALHCDNGDAIQJE-IMRBUKKESA-N	414.365	5.270	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1oc2c(C)cccc2c1C	609060367	AGMUQKNHYUHSCS-UHFFFAOYSA-N	410.473	6.061	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1ccccn1	609078538	XJVBPLFGOCVTIM-GOSISDBHSA-N	400.482	5.066	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1	609176521	LASSEPDTHZVRJL-UHFFFAOYSA-N	423.472	5.885	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)NCc2ccc(C#N)cc2F)c2cccs2)cc1	609252981	MAWIFYNFRDIQLJ-QFIPXVFZSA-N	407.514	5.471	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCOc1ccc(Cl)cc1	609401877	FMOVAAVUYFCBJB-INIZCTEOSA-N	417.962	5.525	30	20	HKED	
C[C@@H](c1nnc(S[C@@H](C#N)C2CCCCC2)n1-c1ccccc1)N1CCCCC1	609648707	REYYMJCAHPMHCY-RXVVDRJESA-N	409.603	5.379	30	20	HKED	
CC(=O)N(C)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	609724329	KJZLOCBWWCHJEV-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1cccs1	609744579	RRIVIEIHTJFKEF-PXNSSMCTSA-N	421.591	6.105	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)sc1C	609928988	SQBHJTYCYDJPRT-UHFFFAOYSA-N	406.511	5.481	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1	610334041	BSPMVKVYCVHATJ-UHFFFAOYSA-N	421.541	5.133	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	611556791	MSYCGFBZMUKIST-GOEBONIOSA-N	403.404	5.545	30	20	HKED	
CCCCSc1ccc(Cl)cc1C(=O)Nc1cc(C#N)ccc1OCCOC	612489221	YNDNAVVTJXOUGU-UHFFFAOYSA-N	418.946	5.381	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3ccco3)s2)c1C#N	614970713	PPMVGRAIWSRZJQ-UHFFFAOYSA-N	406.492	5.040	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCc2cc(Br)c(Cl)cc21)c1ccccc1	619445490	PHHUEOBTFKTFOQ-AWEZNQCLSA-N	403.707	5.079	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CCOC[C@@H]1c1ccco1)c1ccc(C(F)(F)F)cc1	676727754	ZIGOCTSIQAXYMU-QZTJIDSGSA-N	408.420	5.089	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cccc(OCCCC#N)c1	727267812	RVHXNCZEVGCAGZ-KPKJPENVSA-N	406.482	5.836	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc1	728454370	OHQOVRCZNBMKHK-UHFFFAOYSA-N	407.492	5.213	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3Br)n2)cc1	729185868	ADYJHNKYTBCBKK-MRXNPFEDSA-N	411.324	5.300	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)c1c(C#N)c2n(c1C)CCC2	730086316	ZXOREOPPJLXVKX-KHPPLWFESA-N	418.928	5.026	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)Cc1ccc(OCC#N)cc1	731987494	LLCQQFWBGNDZGQ-LJQANCHMSA-N	400.478	5.219	30	20	HKED	
Cc1ncc(/C=C\C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1	732901420	RNQDALXLGYBDOU-BTOGHBFFSA-N	409.580	5.266	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)c1	733775524	YXIGLKWYFMXSMP-KBXCAEBGSA-N	405.325	5.169	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccncc1	734667812	PWQSKIMZIUCQGN-UUOWRZLLSA-N	419.500	5.477	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F	735572643	DSZZWGKEPOKEGB-UHFFFAOYSA-N	405.514	5.773	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C(C)C)nn(C)c2Cl)cc1	741552999	ZDBFRXTYGRLCCW-UHFFFAOYSA-N	424.888	5.122	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc(Cl)c1OC	741852108	JRBPSAPGYOFMLN-JXMROGBWSA-N	421.884	5.009	30	20	HKED	
O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CCc2cc(SC(F)F)ccc21	743055936	NTFVHTMDZKNRQL-WJDWOHSUSA-N	410.445	5.796	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sccc2-c2ccc(F)cc2)cc1	743763322	BZFGXMLMHTZAEF-HSZRJFAPSA-N	412.489	6.462	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)s1	744038417	UIPUVPUTTMQIQP-MMQHEFTJSA-N	400.454	5.075	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl)c1ccncc1	745827753	NECUFBJHDXIBAS-DHIUTWEWSA-N	421.928	5.450	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)n1	747194137	UPPZBCGFKJNPTA-FDFHNCONSA-N	416.546	5.825	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	748833479	CNBQOFOHYRGBHR-YNEHKIRRSA-N	406.454	5.665	30	20	HKED	
CC[C@@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	749026460	WSRFPLNWYZVVTA-BLLLJJGKSA-N	403.816	5.119	30	20	HKED	
CCCCCCCCc1nnc(NC(=O)N2CCC(OC3CCCC3)CC2)s1	750294835	QLUSASYNFZHXGP-UHFFFAOYSA-N	408.612	5.397	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(COc2ccccc2)c1	752649193	MOEUQHMUWAWZGH-LOSJGSFVSA-N	411.505	5.569	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(C)c2cc(Cl)cc(Cl)c2)c1=S	754749112	XIQJYFGMYQZZPG-UHFFFAOYSA-N	406.342	5.063	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(Cc4ccccc4)s3)cn2)cc1	755178593	RIJNSEIDCPJHNH-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
CC(C)CC1(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCC1	756569179	FTRZOUVDBRMDOF-QGZVFWFLSA-N	402.560	5.169	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cs1	759117215	MBTPQBLJVRPTMC-JMIUGGIZSA-N	424.909	5.714	30	20	HKED	
O=C(/C=C\c1ccc(/C=C\C(=O)c2c[nH]c3ncccc23)cc1)c1c[nH]c2ncccc12	761812358	KQGQJQVTWQTIGP-HWAYABPNSA-N	418.456	5.231	30	20	HKED	
N#Cc1ccccc1Sc1ccc(-c2nc(-c3cccc(-n4ccnc4)n3)no2)cc1	762211754	QRVUZJSIOOMVFG-UHFFFAOYSA-N	422.473	5.007	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1	766622609	JPXUXSDOYXVKKV-NSISKUIASA-N	404.938	5.143	30	20	HKED	
N#CCOc1ccc(CNC(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1	769504625	YFDJOVITTXDZKB-HXUWFJFHSA-N	417.431	5.045	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	771260294	FSHKXXDVJWCCLN-GESSGCQNSA-N	400.290	5.402	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc3ccc(Br)cc3n2C)cc1	776723157	BVWRJUNQWSROBD-PFSWGADMSA-N	416.706	5.364	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	780166710	SYTMMQQCEZAEGJ-HNNXBMFYSA-N	419.462	5.289	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1	780306526	YKVSKHHTQYHOET-JOCHJYFZSA-N	423.447	5.311	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1	781394626	MYACJURDFYDLLR-UHFFFAOYSA-N	404.510	5.019	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)C(=O)c1cc2occc2s1)c1ccc(Cl)cc1Cl	787049271	KYDKWSVTWDBLLI-JOYOIKCWSA-N	407.278	5.001	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787054358	UFVYDKVMOPBZFO-HZMBPMFUSA-N	424.353	5.082	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)cs1	794627315	ABVQFNNJIOOGON-AWEZNQCLSA-N	403.290	5.372	30	20	HKED	
FC(F)(F)c1cccc(-c2ccc(NN=C3CCC[C@@H]([C@H]4CCOC4)C3)nn2)c1	794982269	UZAWUFZFNYAQFS-ZBFHGGJFSA-N	404.436	5.157	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCC(C)(C)CCC#N)c3cnn(C(C)C)c3n2)c(C)o1	798877863	LFGMLUVPSVRHJK-UHFFFAOYSA-N	408.502	5.376	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2cccc(C)c2)c2cccc(F)c2)ccc1OC	800975040	VQYXCTQQZXBFLD-BVAGGSTKSA-N	418.512	5.703	30	20	HKED	
CCCC(C)(C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1cccs1	801997301	NQHKFKHGJIUAJD-IBGZPJMESA-N	418.566	5.366	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1coc2ccc(C(C)C)cc12	805853410	IWORKHMLXKBNSV-INIZCTEOSA-N	424.884	5.488	30	20	HKED	
O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1nc(Cl)ccc1F	809326957	YKMCHFQWZSRCGO-LBPRGKRZSA-N	401.665	5.353	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(Cl)c3F)n2)cc1	810549751	OSSWFAKLAUUKKX-OAHLLOKOSA-N	400.862	5.030	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3ccc(C#N)cc3C2=O)cs1	811696467	SYWPDNMIODVLPU-YBEGLDIGSA-N	419.893	5.175	30	20	HKED	
COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)CCCC#N	813058437	IWAAERSXXAACLI-UHFFFAOYSA-N	402.450	5.008	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(SC3CCCC3)cc2)cs1	914703598	WIEGCISTSMDOLO-RAXLEYEMSA-N	400.569	5.447	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915351542	DSFKJKUATUDZKY-HXUWFJFHSA-N	412.518	5.616	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(O)c(CN2CCOCC2)c1	916130646	ZRMOTYASZMPXSH-RMKNXTFCSA-N	423.896	5.034	30	20	HKED	
CSc1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)cc1	916321000	QPZODHDJQFMFHU-UHFFFAOYSA-N	412.584	5.047	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccccc3)s2)cc1	916915071	CHFWIKPRULDKSU-IBGZPJMESA-N	403.507	5.114	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2cc(C)ccc2C)cc1	916954623	JMUXLEPSUYVDHP-HTAPYJJXSA-N	404.510	5.127	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)ccc2c1	920102807	ZMCOCFJOQTUQSD-OJTSNAHWSA-N	408.457	5.243	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)o2)c(C)c1	920107914	JGXUTOHQJJBSQL-IBGZPJMESA-N	422.868	5.090	30	20	HKED	
C[C@@H](C#N)OC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12	920705705	MKXWVUDZINORQS-FJOGCWAESA-N	413.296	5.298	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CCC3)cc2)CCC1	1787938808	HRECEUYJJGDTAD-OAHLLOKOSA-N	408.464	5.065	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCCC3(F)F)cc2)CCC1	1789166827	RNTPCDQIGHONIA-OPAMFIHVSA-N	422.491	5.250	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1	1789622552	OUSRCKMTLYACFQ-QGZVFWFLSA-N	418.528	5.548	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1	1823915166	BGGGFJXQYZYTKU-HTAPYJJXSA-N	416.993	5.094	30	20	HKED	
C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1	1831852622	WAZPXQAMUSEHNV-QHCPKHFHSA-N	414.634	5.016	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)cc1	10173948	KWLQGSXXPVCDBM-UHFFFAOYSA-O	419.570	5.547	30	20	HKED	
COc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)cc1	15247313	CBFLLDITDVJQQF-UHFFFAOYSA-O	413.522	5.187	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1cccc(C)c1	16862886	DWHYABUWXUCSHX-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2ccccc2o1	41545336	DIZFAPMHCDPJNX-GFCCVEGCSA-N	401.472	5.656	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1ccsc1	56800397	CISCWSVADGFJPU-QFIPXVFZSA-N	403.507	6.090	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1	62389610	HUXLIZZKHOMACN-UHFFFAOYSA-N	421.472	5.242	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1	97466648	DOIWXEISSVSGMO-BOLDSZDNSA-N	421.934	5.963	30	20	HKED	
CCN(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)[C@H](C)c1ccc(C#N)cc1	139905999	XTRGZSLSXXEMTD-CYBMUJFWSA-N	401.297	5.498	30	20	HKED	
Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3S[C@H](C)CC#N)co2)cc1	217050126	PHIOGMAUYKUQIF-QGZVFWFLSA-N	420.538	5.409	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1ccccc1F	219004303	YZYWDRCYQQBVBO-HXUWFJFHSA-N	424.545	5.050	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2ccc(Oc3cccnc3)c(C)c2)ccc1OC	236896044	CJXAPKCSOBJDCO-OAQYLSRUSA-N	417.509	5.162	30	20	HKED	
N#Cc1cc([N+](=O)[O-])ccc1N[C@H](Cc1ccccn1)c1ccc(Br)cc1	302688697	RBXQMFNOPNHIIB-HXUWFJFHSA-N	423.270	5.020	30	20	HKED	
COc1cc(F)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC	303254969	CCFNFYMSPYMQGJ-UHFFFAOYSA-N	411.273	5.133	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3ccccc3C(F)(F)F)c2)c1	303264118	PUYOCNISENBZKI-UHFFFAOYSA-N	410.395	5.337	30	20	HKED	
CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1	303812233	CUDNUWVJGJYZIL-ZOCIIQOWSA-N	402.416	5.170	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	304084169	WGDQMCLANXMEGN-DQYPLSBCSA-N	405.350	5.987	30	20	HKED	
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F	410144369	HDITUCDRORZTSC-UHFFFAOYSA-N	424.316	5.085	30	20	HKED	
COc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1C(F)(F)F	426942805	OALZUMQBFLNEFC-UHFFFAOYSA-N	416.355	5.010	30	20	HKED	
CC(C)O[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1	428181291	GELOXXQCFCSSSO-VWLOTQADSA-N	414.505	5.436	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428655986	OGOIZOQFVMNFEX-MSOLQXFVSA-N	420.944	5.381	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)N(CCC#N)Cc1ccco1	431745702	RNFOIRSYBKOSKM-UHFFFAOYSA-N	421.522	5.528	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(OCc2cccs2)c1	436338004	CPZFGDSFQACBRQ-GOTSBHOMSA-N	402.519	5.239	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(Br)c1)c1nc2ccccc2n1C(F)F	437404401	JMIPKGANKAMIHY-GFCCVEGCSA-N	424.632	5.337	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1	437808199	XGDQULWXNLLWIH-ORAYPTAESA-N	403.404	5.201	30	20	HKED	
Cc1occc1-c1nnc(SCc2ccc(C#N)cc2Cl)n1Cc1ccccc1	438888395	VJBZMKHLGGPCSM-UHFFFAOYSA-N	420.925	5.712	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3c3ccccc3C(F)(F)F)o2)cc1	439796697	VPMNAGGAORLITH-LJQANCHMSA-N	412.415	5.354	30	20	HKED	
CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1C#N	462345231	KGEFIOPBFGTBEL-GFCCVEGCSA-N	416.852	5.002	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1Cl	463379020	YFWAHXIASMKZAI-RXVVDRJESA-N	424.978	6.026	30	20	HKED	
CSCc1cccnc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	463591737	QJICXGDYKOBCDQ-LJQANCHMSA-N	407.926	5.506	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1	463624073	PXYFPKTXZSDGSV-UHFFFAOYSA-N	417.465	5.156	30	20	HKED	
N#CCSc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c1	465019204	YRPQHWOPFWPCID-UHFFFAOYSA-N	417.264	5.140	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1	466904269	HDXLXDPQSMBZCR-QUCCMNQESA-N	400.478	5.139	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N(CCC(F)(F)F)CC(F)(F)F	468531606	WWIMZWOKAXBPOO-VXGBXAGGSA-N	407.276	5.152	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCCC[C@H]3c3ccco3)ccc21	470531929	NDVLFLMXOAOPJY-NRFANRHFSA-N	420.513	5.012	30	20	HKED	
COC[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C)o1	471485172	NUBZMQCKCQWPDL-IBGZPJMESA-N	410.857	5.023	30	20	HKED	
COC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1	472681889	AMXQFTCUYMVINU-ICSRJNTNSA-N	409.873	5.098	30	20	HKED	
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	480128410	ZSHLQZJYJVEJOJ-KKSFZXQISA-N	404.901	5.615	30	20	HKED	
C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481592874	DZUFKWIXAYWYBJ-MRXNPFEDSA-N	421.447	5.640	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc12	483225993	JCQJBASONCZJIO-OAQYLSRUSA-N	422.513	5.493	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1	486471015	GNGPGIGAOZQBBZ-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
CCCc1c(NC(=O)c2cc3cc(Cl)sc3[nH]2)cnn1-c1cccc(C#N)c1	487374268	ZLJHRQADRKEGFS-UHFFFAOYSA-N	409.902	5.145	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccccc1	487385408	DHGUPRLZPADQBV-GOSISDBHSA-N	422.941	5.446	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4nnc(C5CCC5)n4c3)cc2)cc1	494026252	HTKQNOUJBHIULR-UHFFFAOYSA-N	423.476	5.107	30	20	HKED	
C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(C(F)(F)F)cc1	494519161	MKNYSAYDTMZCLH-CYBMUJFWSA-N	414.349	5.272	30	20	HKED	
CSc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1F	500467100	VEVFYSDQLWRPFG-NSHDSACASA-N	404.438	5.439	30	20	HKED	
COCc1c(C(=O)N(Cc2ccco2)c2ccccc2C#N)sc2cccc(F)c12	500997964	IXLAUCHYXQZTFR-UHFFFAOYSA-N	420.465	5.498	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C	505213591	OPKTZRPUOZLQAA-UHFFFAOYSA-N	409.559	5.143	30	20	HKED	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	505776468	KARROTWNBQKVFZ-GFCCVEGCSA-N	403.841	5.296	30	20	HKED	
Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c2cc(Br)ccc2n1	508925723	UBXHYXLLXNCHKS-UHFFFAOYSA-N	400.301	5.108	30	20	HKED	
Cc1cc(OC(F)F)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1	510045264	UVEBPKGWWDACOL-UHFFFAOYSA-N	415.421	5.278	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510868053	RAKFVNUADKDDGY-HNNXBMFYSA-N	423.925	6.031	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2)c1	513196555	GYYVARARNNYEHV-HXUWFJFHSA-N	410.395	5.478	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(OCC(F)(F)F)c1	513226013	LIZKPMZKMPQXGM-UHFFFAOYSA-N	410.395	5.096	30	20	HKED	
C[C@@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	514232529	MRPDVABFTGQNKT-IRLDBZIGSA-N	409.533	5.038	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1Cl	514465713	BQDIPOWSVARNMZ-TXPKVOOTSA-N	420.862	6.303	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccccc1-c1ccccc1	515674070	YDSWPJWOXMQJBG-UHFFFAOYSA-N	420.472	5.463	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc(-c2ccccc2)cs1	516465563	VVDVMCLSWBRNDD-GOSISDBHSA-N	404.882	5.139	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccnn3Cc3ccccc3)cc2)cc1	517654346	NRRVYTBWLLAXJX-UHFFFAOYSA-N	408.461	5.042	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2ccccc2c1	518147525	DBPZQFKLDIKGEG-UHFFFAOYSA-N	400.425	6.117	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(OC(F)F)c1	519896184	BZMLGSBFBJNJNK-MRXNPFEDSA-N	401.457	5.088	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1	520179580	YMPBOSZLAXYEDR-CYBMUJFWSA-N	406.313	5.134	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1	520939234	NXVHSUHKTXMBPC-RXVVDRJESA-N	410.587	5.285	30	20	HKED	
CCCCOc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C)c1	521113937	JIZBRARBMXWXJW-UHFFFAOYSA-N	401.466	5.485	30	20	HKED	
CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1	530993739	MHJNNTRSYAIFFB-UHFFFAOYSA-N	406.489	5.178	30	20	HKED	
CCN(CCC(=O)Nc1sccc1C#N)[C@@H](c1ccccc1)c1ccc(F)cc1	533063739	OTTSPKDPORKWKD-QFIPXVFZSA-N	407.514	5.199	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccc(Cl)cc1	533438793	QKTNDKPJFLEPKB-IAGOWNOFSA-N	415.990	5.093	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)c1cccc(Br)c1	535021942	XUBIJMLRXRSJAA-GOSISDBHSA-N	419.706	5.028	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N3CCc4ccsc4C3)cc2Cl)c1	535540457	UNPMFORVDGLBEG-UHFFFAOYSA-N	423.925	5.442	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccc(Cl)c1Cl	535852540	FJWARXORIJCAMC-GOSISDBHSA-N	416.695	5.703	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1	536383522	UPLLIKSHXDYZHL-SFHVURJKSA-N	412.489	5.319	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1C	537440591	PCUPCISPNISXCZ-UHFFFAOYSA-N	412.489	5.390	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1	539229087	BZHPAYAIXIYPNS-MAUKXSAKSA-N	401.963	5.271	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)o1	542877150	OHJVMDXPAVFONX-INIZCTEOSA-N	415.499	5.802	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1	543033481	CEXFRKCUTIMJRQ-ROUUACIJSA-N	404.535	5.041	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SC2CC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	543059370	RZJDKBQKZXFOSY-MRXNPFEDSA-N	421.547	5.020	30	20	HKED	
O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC=CC1	544012697	JVHCSCUWLWNIAZ-LBPRGKRZSA-N	405.260	5.410	30	20	HKED	
Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N	544416051	UTECFMRRXISCRW-JXFKEZNVSA-N	407.539	5.039	30	20	HKED	
CC(C)c1noc(Cc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)n1	545878847	USVKLSPNGAFYRM-UHFFFAOYSA-N	422.488	5.575	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	547416630	KLHDDTADRXVJGW-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	553121081	LBJIUPRCWYRXBK-MOPGFXCFSA-N	405.464	5.191	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(OCCCO)cc2)c1	553287920	UEHOUAZQKLSQCS-UHFFFAOYSA-N	422.868	5.017	30	20	HKED	
N#Cc1ccc(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1	558573201	SATPRWWVBDJOOV-KRWDZBQOSA-N	403.231	5.097	30	20	HKED	
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	571132377	CNQWCICMFAWDAB-MSOLQXFVSA-N	414.509	5.698	30	20	HKED	
C=C(C)COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1	589384740	JYIUHFQQCFQSAA-UHFFFAOYSA-N	415.902	5.076	30	20	HKED	
Cc1cc(C)c(-c2csc(NC(=O)CCc3c(C)nn(CCC#N)c3C)n2)c(C)c1	603435061	QYLISPIQTNWRNV-UHFFFAOYSA-N	421.570	5.034	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2coc(Br)c2)cc1Cl	603766060	LPKWBUUISPZLDW-INIZCTEOSA-N	415.674	5.603	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(C)n(C(C)(C)C)n1	603957731	IDMIHOADGPLCID-UHFFFAOYSA-N	404.489	5.113	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	604494760	LPWFSFAJZIGIIP-MRXNPFEDSA-N	403.448	5.506	30	20	HKED	
CCOCCOc1c(Cl)cccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	608915944	FUPGYDRWMYYUEV-UHFFFAOYSA-N	415.921	5.069	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F	608945632	SVCCIPIUONFCJS-FOIQADDNSA-N	402.416	5.098	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2sccc2s1	609060422	DPHRDVPOGNGHBF-UHFFFAOYSA-N	404.516	5.974	30	20	HKED	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccccc1C#N	609067403	YUHLACRAHPQCNW-MOPGFXCFSA-N	400.478	5.413	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1	609123999	MKJNKYWKKSOPQN-YWZLYKJASA-N	419.456	5.314	30	20	HKED	
Cc1ccc(CN(C(=O)NCc2ccc(C#N)cc2F)[C@@H]2CCc3ccccc32)cc1	609254569	SLDXIBGZCBATII-RUZDIDTESA-N	413.496	5.405	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	609376456	AMMOBFRZDKEWFA-SNPRPXQTSA-N	405.350	5.987	30	20	HKED	
N#Cc1ccccc1OC1CCC(NCc2csc(COc3ccccc3)n2)CC1	609600822	YRGMYUFIBKOTJT-UHFFFAOYSA-N	419.550	5.074	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1	609602230	LRTPQFHBNZGNAE-UHFFFAOYSA-N	413.346	5.667	30	20	HKED	
COC(=O)c1ccccc1N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	609723051	XAABVCLIMUKAOU-UHFFFAOYSA-N	420.852	5.067	30	20	HKED	
C=CCN(C(=O)[C@@H]1CSc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	609814005	RGBLWWMGCJPEFE-QGZVFWFLSA-N	423.519	5.127	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609927827	DFOMQKNFXASCGH-APWZRJJASA-N	416.456	5.295	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCSc2ccc(Cl)cc2)c1C	610054050	LCAWWDJXMCQBBT-UHFFFAOYSA-N	424.957	5.525	30	20	HKED	
C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ncc(-c2ccccc2)o1	610068794	WCRYEHACHHLQTO-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc12	610290677	UBUZTLGLMHDKBJ-UHFFFAOYSA-N	417.494	5.069	30	20	HKED	
C[C@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cccc(C#N)c1	610362657	GUOUQQIOILOSOD-KRWDZBQOSA-N	404.897	5.211	30	20	HKED	
C[C@]1(C#N)CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)C1	612369559	KOYWETZOWOTSOU-MJFUUYGPSA-N	411.505	5.471	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1	612794964	FQOOIZUCCGWHIH-UHFFFAOYSA-N	423.390	5.936	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(Br)c(Cl)c1	615759266	LEKWHYCPWNACFT-GFCCVEGCSA-N	423.763	5.678	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	618808918	LLHKJYPVOYPWGY-LEWJYISDSA-N	407.926	5.349	30	20	HKED	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC1CCC(F)(F)CC1	622584139	RMGHJAFCBQBYSX-UHFFFAOYSA-N	419.312	5.045	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1C(F)F	685284699	GUGDPCMYTRMEOX-DTORHVGOSA-N	421.332	5.053	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccccc2OCc2ccccc2)cc1NC(C)=O	726428282	JIRHILRKJAPSCF-OWBHPGMISA-N	401.462	5.129	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc(Cl)nc3)c2)cc1	727077558	QXWCOBBWBCOXPZ-UHFFFAOYSA-N	408.914	5.189	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1	728329281	UVYPEGWILVBDGB-AWEZNQCLSA-N	407.388	5.049	30	20	HKED	
C#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cn1	728800648	ANPBKXAZKOQIBY-UHFFFAOYSA-N	413.477	5.173	30	20	HKED	
C[C@H](CC#N)N(C)Cn1nc(-c2cccs2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S	728904218	MBDHTMFNXVBVOW-ZBRFXRBCSA-N	415.632	5.331	30	20	HKED	
N#C[C@@H](C(=O)CN(C1CC1)[C@@H]1CCCc2ccccc21)c1nc2ccccc2s1	728914741	WJHUWTIZGGWRCJ-PZJWPPBQSA-N	401.535	5.015	30	20	HKED	
Cc1ccc(-n2cnnc2SCc2cc(Cl)ccc2OCC#N)cc1Cl	735230179	DXBKMOJMAFGVKP-UHFFFAOYSA-N	405.310	5.077	30	20	HKED	
CC[C@@H](NC(=S)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccs1	743038168	WHPSCKWYDONDLQ-QGZVFWFLSA-N	411.527	5.989	30	20	HKED	
Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1	743093468	VLIHLEZKPWPTLL-AZGAKELHSA-N	424.548	5.441	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1cc(C)c(F)cc1F)[n+]1ccc(C(C)(C)C)cc1	748994064	FJGSYSZCDXICMI-UHFFFAOYSA-O	417.545	5.235	30	20	HKED	
N#C[C@@H]1C(CN2CCCC[C@@H]2CCCc2ccccc2)=CC(=O)n2c1nc1ccccc12	752083612	SBWSBQBMDBYONC-DHIUTWEWSA-N	424.548	5.101	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1	752638036	WICVVOLKRODCFN-RPBOFIJWSA-N	413.496	6.240	30	20	HKED	
C/C(=C/C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1OC(F)F	753220978	LDIKONMKZXMKTL-XFNCEPBJSA-N	402.466	5.582	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)n2)cc1	755633611	DAWWAMNGFYLZTE-FIIODCPWSA-N	419.462	5.007	30	20	HKED	
C=C(C)[C@H](CC(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21)OCC	756468226	AMQGKXHGUDKNJF-APWZRJJASA-N	411.523	5.119	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1nc(O)c2c3c(sc2n1)CCCC3	756505363	QCLUWFBGHPKKFC-LJIGWXMPSA-N	409.555	5.058	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1Sc1ccccc1	759144962	DXPCAKDWHYELHH-UHFFFAOYSA-N	412.873	5.785	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C(F)(F)c2ccccc2F)cc1	765649927	BDBLSLQBZPCXQF-UHFFFAOYSA-N	410.395	5.201	30	20	HKED	
N#CCCN(Cc1cccnc1)Cc1sc(Sc2ccccc2)nc1Cl	768140736	VLDKLIZWTUUMDQ-UHFFFAOYSA-N	400.960	5.259	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3C)nc2C)cc1C#N	773864481	YLGMGYWRGAZXSP-UHFFFAOYSA-N	420.494	5.119	30	20	HKED	
COc1ccccc1Nc1nc2sc(C(=O)N(CCC#N)CC(C)C)cc2s1	775675785	CCBFOJAZGPTIPM-UHFFFAOYSA-N	414.556	5.122	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccncc1	776150528	PTPFPEPGLZQDEW-QGZVFWFLSA-N	404.495	5.068	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(OCC#N)cc2)c2ccccc2Cl)cc1OC	779093981	UGXMHLRZBZZWQV-XMMPIXPASA-N	422.912	5.139	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1	780162006	HYPVFFADVKFPRB-KSFYIVLOSA-N	406.869	5.390	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1	780169081	LDYLPMVEYHFCFH-NYHFZMIOSA-N	424.859	5.529	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCC(=O)c3ccccc3)n2)cc1	783360820	ILXGJASMPDHVTC-HXUWFJFHSA-N	413.502	5.301	30	20	HKED	
CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccccc1	787039744	IDXDIPUZGVFFAU-QZTJIDSGSA-N	423.925	5.053	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1)c1ccccc1	787046954	UFBYAHNGAPMQSE-WMZOPIPTSA-N	423.925	5.053	30	20	HKED	
C=CCOc1ccc(/C=C2/SC(=S)N(CCCCC(F)(F)F)C2=O)cc1	794862081	NEVQNKQZZPNGTG-NTCAYCPXSA-N	401.475	5.185	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1	796895268	APOIZRJPQHWZND-GOSISDBHSA-N	420.557	5.225	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCSc2ccc(Br)cc2)s1	797568635	KLMGURRYEIHONV-AWEZNQCLSA-N	423.401	5.562	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	799229052	HRBNSLUTSDIXHP-AREMUKBSSA-N	405.586	5.572	30	20	HKED	
COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	810222741	AITBWAZGPYRIIS-UHFFFAOYSA-N	406.825	5.043	30	20	HKED	
COc1cc(C=NN=C2c3ccccc3-c3ccccc32)ccc1OCc1ccncc1	912806226	GFDCZOROZJEYDK-UHFFFAOYSA-N	419.484	5.521	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1	915199794	MGOKBSCVYSOTJO-XMMPIXPASA-N	403.485	6.020	30	20	HKED	
COc1cccc(NC(=O)/C(=C\c2ccc3ncccc3c2)C(=O)c2ccccc2)c1	916156260	PZAAKKCCMDMMTJ-KQWNVCNZSA-N	408.457	5.148	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1	917042425	CAYBLGWEZJRJGG-CQSZACIVSA-N	408.832	5.778	30	20	HKED	
Cc1cc(N(CCC#N)C(=O)COC(=O)c2cc3sccc3s2)ccc1Cl	919627474	BPMFTKLKELHCOL-UHFFFAOYSA-N	418.927	5.028	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1	920082238	XGOPEAQPZQHAHL-GOSISDBHSA-N	417.921	6.304	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)C1	1789507737	RSQOPSKCZYJMTO-UHFFFAOYSA-N	422.645	5.138	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN(C)Cc2c(CC)oc3ccccc23)c1=S	8196670	MCHBTNAILCQGBF-UHFFFAOYSA-N	419.554	5.060	30	20	HKED	
O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1cccc(O)c1)c1cccc(Cl)c1	10830320	XDHBFIQLXFVILF-UHFFFAOYSA-O	418.325	5.037	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(O)c2)c(C)s1	10832983	ZETMQCTVOVOEJB-UHFFFAOYSA-O	417.963	5.062	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)Nc1cccc(OCCCC#N)c1)c1ccc2ccccc2c1	56199494	YIUZDGSJGRVFGY-RBUKOAKNSA-N	401.510	5.200	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	66037345	WPCWZGGFXYPYOO-MWTRTKDXSA-N	411.461	5.197	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1F	195569117	QBKZZTCPZJDEAU-ZDUSSCGKSA-N	401.894	5.287	30	20	HKED	
COc1cc(CNc2cccc(OCCCC#N)c2)c(-c2ccccc2)cc1OC	237446260	CFUSZJRFIPYUBK-UHFFFAOYSA-N	402.494	5.665	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1	303419473	CHFVHKQEYQYOHQ-IBGZPJMESA-N	400.931	5.114	30	20	HKED	
N#CCC[C@H](NC(=O)NCc1ccc(COCc2ccccc2)cc1)c1ccccc1	429075980	GUGQUPHMIVEXCW-VWLOTQADSA-N	413.521	5.248	30	20	HKED	
COCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	429357789	PLZOKLHFMBBTRO-FQEVSTJZSA-N	406.507	5.024	30	20	HKED	
CCOc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(C(F)(F)F)c1	432759277	ITOMMBUTWZYFSX-GOSISDBHSA-N	405.420	5.661	30	20	HKED	
CC[C@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	437577345	LCPOHJUKYAJSHI-LBPRGKRZSA-N	421.303	5.542	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(CCC(F)(F)F)CC2CC2)c1	438146472	OONAQQAKWWQHBQ-UHFFFAOYSA-N	422.834	5.809	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](CCCO)c2ccccc2)cc1F	438663485	IAEMSEHPHFYKME-NRFANRHFSA-N	419.456	5.125	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)nc(C)n1	442646014	KGFCZRULDQOFNN-MRXNPFEDSA-N	412.276	5.683	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1	445824021	BWNZFOSYMNMOFG-HNNXBMFYSA-N	418.484	6.061	30	20	HKED	
Cc1ccc(NCc2cc(C#N)ccc2F)cc1Oc1ncccc1Br	447889267	GZUZXIIACLOZET-UHFFFAOYSA-N	412.262	5.568	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(OCc4ccccn4)cc3)cc2)c1	461098647	PRDFACUHEVNIAJ-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C	461677899	VXGOTAWEZUEKJJ-UHFFFAOYSA-N	418.444	5.569	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)C1(c2cccc(Br)c2)CCCCC1	463416476	AEGIFDLXRMKTFE-UHFFFAOYSA-N	411.343	5.181	30	20	HKED	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2ccc(C#N)cc2Cl)cs1	464128418	AZFLIUAFUUCIHT-UHFFFAOYSA-N	413.905	5.699	30	20	HKED	
COc1ccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2Cl)c(C)c1	464627936	HJTZLFMBAWQJHU-VWLOTQADSA-N	418.924	5.367	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F	464820870	GRWHGLMCOUQVDJ-CRAIPNDOSA-N	421.850	5.069	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)cc1	464957187	XFGVPTVHCUDQDD-LOSJGSFVSA-N	407.473	5.263	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1csc(CC(=O)Nc2ccccc2C)n1	470920231	WGLLUCYVRDZHET-UHFFFAOYSA-N	405.567	5.211	30	20	HKED	
N#Cc1cnc(C(=O)Nc2ccc(Cl)cc2-c2ccc(Cl)cc2)c(Cl)c1	473571187	STXKGMPSTWCYMP-UHFFFAOYSA-N	402.668	5.833	30	20	HKED	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c12	474449833	VYYDQUHAYONTGF-AWEZNQCLSA-N	421.551	5.075	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)c2c(c1)OCO2	476172080	ZGVZNFXRNKENLC-UHFFFAOYSA-N	402.288	5.282	30	20	HKED	
N#CC[C@H](CC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1	476344366	XVLRSHOHFJFVPH-SJLPKXTDSA-N	403.309	5.061	30	20	HKED	
C=CCn1c(S[C@H](C(=O)OCC)c2cccc(Cl)c2)nnc1-c1ccoc1C	478514943	LVKJPOMYZVFBRN-KRWDZBQOSA-N	417.918	5.082	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2coc(-c3ccc(F)c(F)c3)n2)n1	483175032	CDMOSEQSEAZHPR-UHFFFAOYSA-N	411.355	5.506	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1OC)c1ccc(F)c(F)c1	483192953	HHWMALKECNMTQC-FGZHOGPDSA-N	412.436	5.272	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F	486503203	POQLPXONONRCGG-HOCLYGCPSA-N	407.461	5.548	30	20	HKED	
CSc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1[N+](=O)[O-]	486996154	IPLBDVRZJSHUTC-HNNXBMFYSA-N	409.492	5.239	30	20	HKED	
Cc1c(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)sc2ccc(C#N)cc12	487386884	OBXYESZMMJAHOH-OAHLLOKOSA-N	419.481	5.382	30	20	HKED	
N#CCCC[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1	487621818	XFIMWJCGJCDCQG-FQEVSTJZSA-N	422.916	5.264	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccs3)n2)nnc1-c1cccc(OC)c1	488914946	JHXPNAWWPYVKCJ-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)o2)cc1	489765600	PKRBYIVCOOTDSQ-UHFFFAOYSA-N	410.539	5.179	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)o2)cc1	489807122	JOWNEMCCRJWANY-LBPRGKRZSA-N	412.496	5.266	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1Cl	491844546	GQXQOTPGNHMTJM-QFEHNZAHSA-N	423.944	5.058	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1	493082456	UICKDUVHRBMQKW-UHFFFAOYSA-N	413.546	5.045	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C	495174473	GNRYZJVAQGNVOR-UHFFFAOYSA-N	413.308	5.640	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)nc2ccccc21	495220955	NGXZCSHARPRSNQ-OAHLLOKOSA-N	409.367	5.342	30	20	HKED	
C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	499741442	HJLAKTHRLIKZHR-GBXCKJPGSA-N	412.574	5.084	30	20	HKED	
CSc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1F	500467099	VEVFYSDQLWRPFG-LLVKDONJSA-N	404.438	5.439	30	20	HKED	
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	501449585	KINBAYLEOSKCQA-QGZVFWFLSA-N	420.896	5.391	30	20	HKED	
C=CCn1c(SCc2cnc(C)nc2)nc2sc(-c3ccccc3)c(C)c2c1=O	505443122	CKTUKGTXWICNAX-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1-c1ccnn1C	507387617	HGCMBANCVBLVRF-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	510683164	QAHAWNBIZYNCBZ-LJQANCHMSA-N	406.530	5.127	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2sccc2C#N)c2cccs2)cc1	511951248	DFMHHGNVJXXWSN-IFXJQAMLSA-N	423.563	5.039	30	20	HKED	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(Cl)c1Cl	512713642	FCXJLMKSOAEUPK-CYBMUJFWSA-N	420.315	5.098	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)o1	513286951	OZAUTFBBZRTUAW-HSZRJFAPSA-N	423.532	5.213	30	20	HKED	
CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1	513684509	GWJYNACVDAFXHC-YKSBVNFPSA-N	406.526	5.111	30	20	HKED	
CCCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[nH]c(C)c1C(C)=O	515420857	CACJVXOPUBKCFJ-UHFFFAOYSA-N	415.493	5.181	30	20	HKED	
CC(C)c1ccc(-c2nc(C(=O)N(C)CCOCc3ccc(C#N)cc3)cs2)cc1	517037584	ZWEXKNBQWWQDIP-UHFFFAOYSA-N	419.550	5.094	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc(C)nc21	518709301	RWKVDLYAFQHZHL-KKSFZXQISA-N	403.530	5.003	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1	518754495	OVNKXBUSOPLDFC-NQIIRXRSSA-N	408.571	5.039	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1nnc(-c2ccccc2)o1	519515776	WGHXLRPTMJQVFM-INIZCTEOSA-N	406.511	5.092	30	20	HKED	
CN1CCC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)[C@H]1c1ccc(C(F)(F)F)cc1	519573433	XAQLBGBLUJWEFD-UEVCKROQSA-N	413.487	5.237	30	20	HKED	
CCN(CC)Cc1cccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	521258828	DVWDTHDJIPACMJ-SFHVURJKSA-N	410.587	5.102	30	20	HKED	
Cc1sc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c(C#N)c1C	521719827	MSCQHABWCKWBRX-UHFFFAOYSA-N	412.946	5.761	30	20	HKED	
CN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	521811083	ROLRTVFCYVRHLZ-UHFFFAOYSA-N	405.429	5.032	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)c2)c1	522322010	WVLFUQKYJKSLFH-XMMPIXPASA-N	414.480	5.124	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc3cccnc23)cc1	522470425	UWQMMRCWPXCIEN-UHFFFAOYSA-N	424.479	5.158	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)oc1C	522571056	JDEPOMXJAQPFJE-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
Cc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)sc1-c1cccc(Cl)c1	522576410	LPZGVHRAEMLJED-UHFFFAOYSA-N	419.984	6.010	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccccc1Cl)c1ccccn1	523959208	NMRHNIRWBGUASJ-INIZCTEOSA-N	418.905	6.264	30	20	HKED	
CC1CC(C#N)(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)C1	532321560	XUPXNTVBEOHFEP-UHFFFAOYSA-N	402.498	5.088	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OC2CCC2)cc1Cl	534022637	FWWJJEBKFAIDLV-CQSZACIVSA-N	400.931	5.918	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(C)n1[C@H]1CCC[C@H](C)C1	534607277	PQZGITAAEZPKQY-BQFCYCMXSA-N	418.632	5.095	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccccn4)s3)n2)cc1	536204801	QQLYWBCYFNAMJE-HNNXBMFYSA-N	402.504	5.127	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4ccc(F)cc4)n3)n2)cc1	537478415	RVPOWVQSUWFUGT-LJQANCHMSA-N	416.481	5.242	30	20	HKED	
CCN(C(=O)c1oc2ccc(CCC(C)=O)cc2c1C)c1ccc(C#N)c(Cl)c1	540273290	GNKFTWHMGKQSNV-UHFFFAOYSA-N	408.885	5.455	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)s1	541627232	OZCDPWVBLQASRE-KBPBESRZSA-N	407.992	5.333	30	20	HKED	
C[C@@H](NCc1ccc(F)cc1C#N)c1nc(-c2ccc(Br)cc2)cs1	543498837	QQXPOHHHYNBILP-GFCCVEGCSA-N	416.319	5.434	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1	543890030	JAYVOUACUDRNRR-MSOLQXFVSA-N	401.514	5.124	30	20	HKED	
COCc1noc([C@H](C)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1	544093643	LVBAVABARINSOK-LBPRGKRZSA-N	418.375	5.072	30	20	HKED	
C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cc(Cl)ccc2OCC(F)(F)F)no1	546466461	BQXPOJBTCKZYPD-LLVKDONJSA-N	423.778	5.343	30	20	HKED	
FC(F)(F)c1ccc(C#CCN2CCC[C@@H]2c2ccc(Br)cn2)cc1	550705425	SSEQRHBIKIMFOE-GOSISDBHSA-N	409.249	5.052	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C1CC1	558342848	XPBVOQDXBWDMMC-UHFFFAOYSA-N	415.497	5.724	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1	562019917	PRGHRWJWMWLXBX-HXUWFJFHSA-N	424.570	5.146	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)ccn1	564521498	OXEQDBSLPGFHKH-UHFFFAOYSA-N	405.457	5.516	30	20	HKED	
N#C[C@@H](C(=O)c1cncnc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	574674978	ARGSAVQXEBMIBB-KRWDZBQOSA-N	416.893	5.411	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F	583963024	PPMDZBQGBVMYOA-BPXKWBHBSA-N	424.495	5.185	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1F	590325368	NPZPNSAWAPRJDV-JTQLQIEISA-N	408.317	6.088	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1	603872786	MQKJCLXALJPJEA-UHFFFAOYSA-N	413.506	5.049	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)Nc1ccccc1	607434002	QLVVFOHOHXMAAI-OAQYLSRUSA-N	420.472	5.677	30	20	HKED	
COc1cc2nc(C)sc2cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	608862331	AOSRVBHHQZRIQW-UHFFFAOYSA-N	408.527	5.175	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C(F)F)cc3)cc2Cl)c1	609062578	VVOZIEWKUYILGC-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)nn(C(C)(C)C)c1C	609072329	JDBUJGDVTHTCTO-UHFFFAOYSA-N	416.525	5.266	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)c2)cc1	609129041	DEOJCDJZJVDAMP-QFIPXVFZSA-N	421.500	5.852	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c1	609184859	DIHFWJBEVTVCNV-UHFFFAOYSA-N	423.925	5.019	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccn1	609206439	JZXQFNPKSNBZKP-NFBKMPQASA-N	418.928	6.053	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c2ccccc12	609371048	VRYMSVIWBKKCSO-HNNXBMFYSA-N	410.926	5.905	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)sc2C)cc1	609377881	JTYBXGIEXBHLEK-HNNXBMFYSA-N	422.575	6.236	30	20	HKED	
Cc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1ccc(Cl)cc1	609414759	XKKREDMYIUCLPL-KRWDZBQOSA-N	419.699	5.136	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H]3c3ccccc3C(F)(F)F)cc2)nc1	609503179	JFWNYRGUXPUVTD-ICSRJNTNSA-N	423.394	5.050	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1	610010456	ZPWCSHOIDUHGPF-YLJYHZDGSA-N	416.550	5.324	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H](C)c1cccc(C#N)c1	610366467	DMVYGMHEYSTVDP-SFHVURJKSA-N	405.501	5.502	30	20	HKED	
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Oc2ccccc2)c(F)c1	610809902	LDHXRTHTCVPPGO-SFHVURJKSA-N	416.500	5.204	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2C)cc1	613407494	VJWILNAHRVDQQY-MRXNPFEDSA-N	406.898	5.242	30	20	HKED	
C=CCOc1c(Cl)cc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1OC	639414497	XEAAERQPWBVCOJ-UHFFFAOYSA-N	402.903	5.170	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Sc3ccccc3)C(C)C)n2)cc1	727232839	ULUNRZFNXHFUHO-KNQAVFIVSA-N	422.575	5.812	30	20	HKED	
N#Cc1ccc(F)c(COC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1	730610186	UMNDPMBOEBPYDB-UHFFFAOYSA-N	408.376	5.002	30	20	HKED	
N#C[C@H](C(=O)C[C@@H]1CCCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1	731135803	KBTVYLJHTBRWAW-NZQKXSOJSA-N	424.500	5.636	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccccc2F)cc1)c1ccc(C(F)(F)F)nc1O	731564671	OPUAMWBXGUPDAB-XFFZJAGNSA-N	417.358	5.420	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1c(Cl)cccc1Cl	733259511	YEANNLRXZRMSJS-OAHLLOKOSA-N	409.363	5.467	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)c1	733774190	CEHFZSZUWJJVCP-FQEVSTJZSA-N	418.468	5.112	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1)c1ccncc1	734665632	NZWOTQANCLEUPS-BJKOFHAPSA-N	419.500	5.130	30	20	HKED	
CCCCSCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	740536872	YVDICBRYCLECDQ-CQSZACIVSA-N	413.395	6.217	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(F)cc3F)n2)cc1	743446978	ITVFVLLZZKFKOY-QGZVFWFLSA-N	412.461	5.432	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1	744034020	YECSPFDMBJPYNK-XVWMLYKFSA-N	422.337	5.108	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1C#N	752203519	FVHGABRSJHHGJP-UHFFFAOYSA-N	420.494	5.119	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C\c3ccnc(Cl)c3)c2)cc1	757930886	JWIRGLMLXGDYOP-TWGQIWQCSA-N	403.869	5.032	30	20	HKED	
CCOc1ccc(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1	760415691	AWJLSISTFRRFFH-LBPRGKRZSA-N	406.269	5.554	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	761847099	QBSCSFJNBPVKRP-NRFANRHFSA-N	409.555	5.363	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c2ccccc21	768047711	UUQAQOCIXRECJY-AUSIDOKSSA-N	419.525	5.047	30	20	HKED	
N#C[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1cccc(Cl)c1Cl	768137567	MUBQOCZRIFEPPV-NSHDSACASA-N	408.499	5.948	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cs1	768754132	CIQJRJLWVXCTFU-UITAMQMPSA-N	416.861	5.222	30	20	HKED	
C=CCC[C@H](NC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21)c1ccccc1	772625148	NBUGQGNQVKWFMG-GGAORHGYSA-N	417.553	5.020	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)oc2c(C)cc(Br)cc12	777781103	NTIXKMWWDNAFLT-LBPRGKRZSA-N	413.271	5.355	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)C2(c3cccc(Br)c3)CCCCC2)n1	779189314	OMYOSVRLSTVEAU-MRXNPFEDSA-N	403.345	5.292	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1	780678528	OYGQGUCYUREGLQ-ROUUACIJSA-N	400.482	5.795	30	20	HKED	
N#Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)nc1	783299213	AGVVQQOGBCMODF-HXUWFJFHSA-N	401.819	5.505	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CC3CCC(C(F)(F)F)CC3)n2)cc1	783360512	DMYVVLNYZQMCLW-PGEKIEPBSA-N	422.472	5.754	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1	783739097	USXGCIRXUADMEV-LBPRGKRZSA-N	411.474	5.788	30	20	HKED	
C[C@@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccc(OCC#N)cc1	794835351	PQJQFQNLUROXLD-CYBMUJFWSA-N	403.429	5.904	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1ccccn1)c1csc(-c2c(Cl)cccc2Cl)n1	796783629	RGBSUZPPFLVBCB-LBPRGKRZSA-N	416.333	5.666	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1nc2cc(C(F)(F)F)ccc2s1	796813103	WIVGWAUOPJDDPC-WCABBAIRSA-N	406.351	5.470	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCSc2ccccc2Br)s1	797566860	BEYKMSXREJFVSB-GFCCVEGCSA-N	423.401	5.562	30	20	HKED	
C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(F)(F)F)cn1	798670611	VLMCTEHAWTUHKD-CYBMUJFWSA-N	416.355	5.062	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1	798815716	CQUNLWDTEXYBNC-IFXJQAMLSA-N	410.395	5.310	30	20	HKED	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCCC2(C#N)CCOCC2)cc1	800082377	IKDGGZNQLNBFKY-UHFFFAOYSA-N	420.513	5.425	30	20	HKED	
CC(/C=C/C(=O)c1ccc(C(F)(F)F)nc1O)=C\c1cccc(C(F)(F)F)c1	806571106	DCTUHQAEEICGDM-JEGFTUTRSA-N	401.306	5.667	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(F)(F)F	808833636	ZBZKNNIQWOXLIH-MRVPVSSYSA-N	411.277	5.104	30	20	HKED	
C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(C3=CCCC3)cc2)nc1C	810036143	SJVCGHWPZMDOJT-UHFFFAOYSA-N	423.567	5.004	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2=CCCC2)cc1	810529957	RUZJOHKZMCLSQL-IBGZPJMESA-N	412.461	5.530	30	20	HKED	
CS(C)(=O)=Nc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1	864015323	LGRMHLPRNJRXES-UHFFFAOYSA-N	405.523	5.108	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC3CCC3)C2=O)c1	915116773	OXGNILZFLPVSSF-OAQYLSRUSA-N	421.566	5.064	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1	915353463	NPPCCAMGPGLVJQ-RPWUZVMVSA-N	415.924	6.364	30	20	HKED	
N#CCOc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	915635761	GGDCJKOKFTXTOT-SXGWCWSVSA-N	421.330	5.302	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2cccnc2)ccc1OCCOc1cccc(C)c1	916137374	ZNDXTZMZIZLRLB-PKNBQFBNSA-N	403.478	5.143	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc(Br)c1O	916137697	LHLMVRSXXVTEOL-FPYGCLRLSA-N	413.214	5.051	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	916907285	LSHIOHSCGCEEIQ-VGSWGCGISA-N	420.553	5.224	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976498	PSVDNQCXBCTZKV-RDTXWAMCSA-N	412.967	5.962	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3C)CCC2)cc1	1785840973	UHLKFKRXNGIEEX-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C)c3)CCC2)cc1	1785842711	IVKYYHYDRMNSCI-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1	1791588429	NOHZQLJPFNLIFL-UHFFFAOYSA-N	403.309	5.317	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2)CC1	1829068668	JWQRMKXUPRJYIV-JOCHJYFZSA-N	414.565	5.051	30	20	HKED	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	41500905	HEHOAOHAALTXEJ-GFCCVEGCSA-N	407.476	5.002	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc12	41545121	ORWBJFFBKYDWEA-MRXNPFEDSA-N	416.437	5.166	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)nc(C)n1	41561875	ZRZHYXOPUSKRCS-LJQANCHMSA-N	411.383	5.395	30	20	HKED	
CCOc1cc(-c2ccccc2)sc1C(=O)Nc1nc(C)c(SCC#N)s1	71927531	KMAGJZSISUTJDZ-UHFFFAOYSA-N	415.565	5.447	30	20	HKED	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)c1snc(Cl)c1C#N	111221721	VNGPOAMCEHPVQB-UHFFFAOYSA-N	419.959	5.344	30	20	HKED	
Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C1CC1	147169150	KCPUNSNVWJMSFK-ZDUSSCGKSA-N	417.321	5.218	30	20	HKED	
N#CCCCCSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1	195556103	ROHQYEZCFBFZIN-UHFFFAOYSA-N	404.326	5.422	30	20	HKED	
CC(C)n1ncc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc21	195743970	ALGKUOQAVBOOLA-UHFFFAOYSA-N	412.518	5.892	30	20	HKED	
N#CC1(c2ccccc2)C/C(=C/c2ccc(O)cc2)C(=O)/C(=C/c2ccc(O)cc2)C1	213186625	YLSGSHNBZZKGIP-BILXGNRESA-N	407.469	5.389	30	20	HKED	
Cc1ccc(C)c(-n2c(Sc3ccc(C#N)nn3)nnc2-c2ccccc2Cl)c1	301947428	XZLSLCUZPMPIPJ-UHFFFAOYSA-N	418.913	5.017	30	20	HKED	
CCN(Cc1nc(-c2cc(Br)cs2)no1)[C@H](C)c1ccc(C#N)cc1	303024956	SBBCYQKFJXGXTI-GFCCVEGCSA-N	417.332	5.015	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1cccc(OC2CCCC2)c1	303369665	SEHXOPJBZBHPPA-SFHVURJKSA-N	408.567	5.974	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	409875921	JDXXRCOYXANBLD-UHFFFAOYSA-N	414.745	5.113	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1	432691174	VJZUMBXNZIHIKX-FQEVSTJZSA-N	405.498	5.675	30	20	HKED	
Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(OCC(F)(F)F)c1	432763727	DEPRODGTWONOIR-QGZVFWFLSA-N	405.420	5.493	30	20	HKED	
N#Cc1ccc(NC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c(Cl)c1	433285030	RTGUDLWEOMHOMA-OAHLLOKOSA-N	418.722	5.071	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)CC2)c1	436602024	JLNOTDPPTQSKJV-UHFFFAOYSA-N	411.486	5.211	30	20	HKED	
Cc1nc(CC(C)C)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1	446012505	PLZMZZWSUMPALW-UHFFFAOYSA-N	418.522	5.026	30	20	HKED	
C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1	460885135	RDMCTVHQBFZIFB-GLYQVZKVSA-N	415.537	5.029	30	20	HKED	
COc1ccc([C@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1	461721750	FRHVZHRSSMYGJD-KOSHJBKYSA-N	423.516	5.100	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cccc(-c4cscn4)c3)c2)c1	463398673	XMEUKXCVMBHLRB-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(C)cc1	464422677	AFEWHLGENXQIRT-QGZVFWFLSA-N	412.415	5.037	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3CCC(F)(F)F)c2)cc1	465120842	QFVGTDHMIIYJHH-UHFFFAOYSA-N	424.422	5.884	30	20	HKED	
C=C(C)Cn1c(SCc2ccn(-c3ccc(Cl)cc3)n2)nnc1-c1ccncc1	466479546	XSLYPCBBPRQPSS-UHFFFAOYSA-N	422.945	5.048	30	20	HKED	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCSCC#N)nnc1-c1cccs1	466621306	QJRPYZNPOCZXCC-LUKYLMHMSA-N	418.657	5.743	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC(c3cccc(Br)c3)CC2)c1	466785180	ARGHIDAERYCGMY-UHFFFAOYSA-N	415.356	5.085	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(-n2cccn2)c1	467710612	KVLKOUCKKGUHTJ-GOSISDBHSA-N	423.476	5.419	30	20	HKED	
CC1(C)[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@H]1OCc1ccccc1	469292901	VOEDSWAUSPLPCK-BJKOFHAPSA-N	417.553	5.065	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccc(F)cc3)C3CCCC3)ccc21	469341343	ZGCOTVDTIIOCCI-VWLOTQADSA-N	405.517	5.752	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cc1	472684312	GFNZWGUZUWGCOL-MBSDFSHPSA-N	421.516	5.255	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	472753049	PFFLYALCFFPWQJ-AGHHOFFYSA-N	409.555	5.289	30	20	HKED	
COCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1	475382498	RQKORAIBQUZDKT-FXAWDEMLSA-N	418.459	5.329	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)nc2ccccc21	475910501	IZJPZLCDJJPMKA-FGZHOGPDSA-N	414.553	5.411	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1	476166751	WQKOJXPKFVRRQJ-QFIPXVFZSA-N	418.581	5.646	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3nc(C)cc(C)c3C#N)CC2)n1	478039800	JRTQATXUMMWVAP-UHFFFAOYSA-N	404.539	5.086	30	20	HKED	
C=C(C)[C@H](N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(F)c(F)c1	480665932	CMHVGNMITAAHNC-HJPURHCSSA-N	419.537	5.649	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[C@H]1C(F)(F)F	482027165	BQJIGKKMFCJOLE-HXUWFJFHSA-N	416.443	5.596	30	20	HKED	
CCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1ccccc1C	485323811	QGDNHOUQCDYECW-UHFFFAOYSA-N	401.514	5.057	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSCc2ccc(Cl)cc2)cc1	487868356	BKYYDUGXBUQENN-UHFFFAOYSA-N	412.864	5.036	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(C)cc1	489656562	GMAKZTNGGDIWQR-OAHLLOKOSA-N	412.946	5.212	30	20	HKED	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	491481712	NDAHHSGBFJAZJW-GHTZIAJQSA-N	423.582	5.231	30	20	HKED	
COc1ccc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2c1	497366401	SBBFZBYQZJZTBW-OAQYLSRUSA-N	409.470	5.334	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1	499309321	MVLNHUBUJWIETG-HXUWFJFHSA-N	415.921	5.423	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(SC)cc2)ccc1OCc1cccc(C#N)c1	500247071	UUQFRHLPDPEVRN-SFHVURJKSA-N	418.562	5.719	30	20	HKED	
COc1cccc([C@@H](CNc2nc(C)ccc2C#N)c2c[nH]c3ccccc23)c1OC	500276520	SSERUOBGDVJSEN-OAQYLSRUSA-N	412.493	5.004	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1COCc1ccccc1	500817136	QCHYBFSYNNGOCK-UHFFFAOYSA-N	400.522	5.301	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)nc(C)n1	505304466	HSHVYQCVUNHAKZ-LJQANCHMSA-N	412.880	5.452	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(Cl)cc1	505837351	HRKHUICJZLQFRZ-QGZVFWFLSA-N	402.306	5.040	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)c(C)c1	508272605	IDUMOCCRLDFEKP-GOSISDBHSA-N	408.571	5.111	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1	509041217	WKCVGYXWUDQRFF-UHFFFAOYSA-N	403.825	5.137	30	20	HKED	
CCOc1ccc(CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)C)cc1	509276784	MQFDPUCZVRLBQW-UHFFFAOYSA-N	418.459	5.076	30	20	HKED	
C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510023651	OBLDBNIUOPRTDG-JTSKRJEESA-N	403.913	6.220	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(N3CCCC3)CC2)cc1Cl	510053252	FGNWZHFXKHLICB-JOCHJYFZSA-N	422.960	5.088	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1	513525593	PBAZVEZGHYVRIR-UHFFFAOYSA-N	418.545	5.137	30	20	HKED	
C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	517312789	JPUUEWJIIQBRQA-YWZLYKJASA-N	409.942	5.810	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@H](Sc1ccccc1F)c1ccccc1	518494207	DYGFVCOLGPAHBK-JOCHJYFZSA-N	406.482	5.568	30	20	HKED	
N#Cc1cccc(CNCc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)c1	518767495	GBKZZECFVQKYNE-UHFFFAOYSA-N	412.924	5.413	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3Br)cc2)c1	521317241	ZUSKAXNDARGIGX-UHFFFAOYSA-N	411.230	5.504	30	20	HKED	
C=CCN(C(=O)CC(C)(C)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	521385395	WHWYQLGHTDKIPX-UHFFFAOYSA-N	421.522	5.605	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1OC	521386859	JWICTRFHAKKRSY-GOSISDBHSA-N	402.494	5.685	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3COc3ccccc3)cc2)nc1	521966952	JYBLMVBEADWMGV-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Oc2ccc(F)cc2)CC1	522463760	AYWNOTZKBUDQHF-MRXNPFEDSA-N	413.518	5.153	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccco1	522952829	SVVIEPWZSGMTLU-OAQYLSRUSA-N	419.481	5.479	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1	524822970	VOFDEAFUIFWRRT-HUUCEWRRSA-N	410.798	5.045	30	20	HKED	
N#CCc1ccnc(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)c1	532433756	SXQNTBXSKGJFCA-UHFFFAOYSA-N	405.523	5.712	30	20	HKED	
Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N	534388140	MWENBJQQTBRJQE-CQSZACIVSA-N	419.344	5.169	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(-c3ccoc3)c2)cc1	534819437	KDJJCLWODZEYDQ-UHFFFAOYSA-N	408.457	5.844	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	535441740	UPFQUCGKWBLSSM-SFHVURJKSA-N	418.364	5.861	30	20	HKED	
COc1ccc(CNc2ccc(CN3CCC(C)CC3)cc2)cc1OCCCC#N	535838757	FOAYUTDKFVGSIN-UHFFFAOYSA-N	407.558	5.222	30	20	HKED	
CC(C)c1ccc(Nc2nnc(SCCCC3(C#N)CCOCC3)s2)cc1	539671013	ZDATZDDEHFCJQT-UHFFFAOYSA-N	402.589	5.598	30	20	HKED	
C=CCCC[C@H](C)NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1	540524806	BHWOJGUSWHKAEA-SFHVURJKSA-N	402.604	5.044	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3cc(C)n(-c4ccc(Cl)cc4Cl)n3)[nH]c12	540682225	QRIBSTZFMHGQAK-CQSZACIVSA-N	424.291	5.162	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)cc1	542565177	MJEVTSFDVRGBDT-QPPBQGQZSA-N	416.452	5.140	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(CC#N)cc2)c2ccccc2Cl)c(OC)c1	544082780	RDPVBLZWJCFITO-DEOSSOPVSA-N	406.913	5.302	30	20	HKED	
C=CCn1c(SCc2cc(F)ccc2Br)nnc1-c1ccoc1C	552697042	MCOJWNNNCDKSMY-UHFFFAOYSA-N	408.296	5.226	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1	554464955	WGKVBNAISXRDBT-OAQYLSRUSA-N	400.954	5.356	30	20	HKED	
O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1	557509361	YRMIJFZLMVESCO-HSZRJFAPSA-N	411.505	5.104	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(C(F)(F)F)CC2)cc1Cl	558288589	CKHBRRGKPYKLJM-MRXNPFEDSA-N	407.823	5.459	30	20	HKED	
C[C@@H]1CC(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](C)O1	558889596	QUATXILJAVBTCI-QZTJIDSGSA-N	408.567	5.174	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H](OCC)c2ccccc2)no1	564278336	NPAOXEHJNIVHDX-GOSISDBHSA-N	404.388	5.446	30	20	HKED	
N#Cc1ccc(CNc2cnn(-c3ncc(Cl)cc3Cl)c2)c(C(F)(F)F)c1	571009603	LIRGINYKFQMHRL-UHFFFAOYSA-N	412.202	5.077	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc2cc(F)ccc2s1	592974567	UHIQMGDXWZHCEE-IBGZPJMESA-N	402.450	5.504	30	20	HKED	
CCOc1ccc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	603467111	MMYMTJKYPCXJTB-UHFFFAOYSA-N	416.546	5.521	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1ccccc1	603763962	DTEQIGMICPBUPQ-UHFFFAOYSA-N	423.476	5.307	30	20	HKED	
Cc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1C1CCCCC1	609184964	ILYPYROUHVQWAL-UHFFFAOYSA-N	405.542	5.165	30	20	HKED	
C[C@H](Oc1cccc(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609378639	ZTMKMRXAKMGVPG-LBPRGKRZSA-N	412.408	5.256	30	20	HKED	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	609422160	ILDIUAYTYZBQBO-SFHVURJKSA-N	412.493	5.578	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cnn1-c1ccccc1F	609427181	SVCUWEPUCHMGTQ-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccccc1N1CCCC1	609439089	XXBIXGJYFFCPEV-SFHVURJKSA-N	408.571	5.345	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccccc1Cl	609439105	YYHLBKMXMWKPOS-WMZOPIPTSA-N	413.974	5.973	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1C	609452084	LOMGQIPKDWZTAY-UHFFFAOYSA-N	415.493	5.340	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](n4ccnc4)C3)cc2Cl)cc1	609553674	AQTAWYYBDBWHCD-SFHVURJKSA-N	421.888	5.069	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cnn(C(C)C)c2)cc1	609573004	LWJAPXYLBXUXNU-MRXNPFEDSA-N	419.485	5.019	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1	610015465	IEPUJCAWIOVSFF-UYAOXDASSA-N	412.493	5.464	30	20	HKED	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@H](C)c5cccc(C#N)c5)(C4)C2)C3)cc1	610363060	CIGCFSPGQBZNIU-FQNDFFIISA-N	414.549	5.282	30	20	HKED	
CCCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H](C)c1ccccc1Br	610408074	GOQUKSZLUJUBIZ-JKSUJKDBSA-N	414.347	5.565	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1	615628564	CHWWIWISPLDFJT-KRWDZBQOSA-N	408.498	5.299	30	20	HKED	
O=C(Nc1ccc(OC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618539261	LPQZVXSHCMRKFU-RKDXNWHRSA-N	424.263	5.180	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)cs1	618798616	ZTDIRAOQGSEVDB-QKKBWIMNSA-N	402.523	5.038	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCC(F)(F)C1	671209173	PMCRJBUADPMXJS-LBPRGKRZSA-N	404.301	5.053	30	20	HKED	
CC(C)(C)Oc1cc(F)ccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	678019286	SHJZENOUEMNSBX-QWRGUYRKSA-N	416.337	5.208	30	20	HKED	
Cc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1C1CC1	726627275	POVQCFFEYJCWKW-QGMBQPNBSA-N	413.955	5.371	30	20	HKED	
Cc1ccc(-c2noc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)cc1	728200969	XMHUMIVHMBLPDH-UHFFFAOYSA-N	414.440	5.247	30	20	HKED	
C#Cc1cccc(N(C)C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1	728482419	MHFPIBNYXBBYGQ-UHFFFAOYSA-N	415.543	5.095	30	20	HKED	
Cc1cc(COc2ccc(/C=C\C(=O)c3c(C)nn(C(C)C)c3C)cc2)oc1C(=O)O	729937385	QFMROEPZZIGBFF-FLIBITNWSA-N	422.481	5.156	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	733083376	IREDAHVIGJEYHH-CMDGGOBGSA-N	413.524	5.677	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1	733636215	KNRQNFALAIRANL-UHFFFAOYSA-N	400.482	5.498	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)ccc1OC	733656430	KUTFTXHJALOEOH-QFBILLFUSA-N	421.497	5.025	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1	733771324	RXGJRNOUPCBYCT-XJKSGUPXSA-N	423.365	5.471	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(Oc3ccccc3)c2)c1	733807629	WSIIQSJENQXDAV-NRFANRHFSA-N	415.493	5.159	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1	734081031	DGWXNRULPMQMQG-OWCLPIDISA-N	414.317	5.492	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(-c2ccncc2)cs1	734082097	WYFUJZTXAWTCEU-MRXNPFEDSA-N	409.561	5.174	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)Cc1ccc(OCC#N)cc1	734738988	VSGUSILEXYJESD-OAHLLOKOSA-N	410.470	5.007	30	20	HKED	
Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cs2)cc1	735231881	CRYKQVQGSKVTJP-FLIBITNWSA-N	419.474	5.011	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1	735567326	MBPZOXXVZIQIOL-DNQXCXABSA-N	413.546	5.664	30	20	HKED	
CCO[C@H](C)c1nc(COC(=O)c2ccc(OCc3ccccc3C#N)cc2)cs1	736783556	DYMSOVQKDMZWGZ-MRXNPFEDSA-N	422.506	5.048	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	743125849	YETNFUASKZCEGN-CVEARBPZSA-N	408.502	5.027	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)Sc2ccc(Br)cc2)n1	747199605	YGMBMCXLMNKFRJ-FZMZJTMJSA-N	409.374	5.386	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N	747842337	DDGYNRILVOQUNR-YRNRMSPPSA-N	418.928	5.001	30	20	HKED	
C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	752208036	YAGARYXEHMAADB-BEFAXECRSA-N	407.495	5.046	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)CSc2nc3cc(C(F)(F)F)ccc3s2)n1	753852569	VODBWOATEMYCKM-JTQLQIEISA-N	413.471	5.049	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1	754433546	QETYNZNABWWTLB-UHFFFAOYSA-N	409.486	5.010	30	20	HKED	
Cn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1=S	765046966	IPZZXCVBKVPRMU-UXHICEINSA-N	423.973	5.001	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(NC(=O)NC(C)C)cc2)cc1	765245911	PYPIUEXUSISLLS-KRWDZBQOSA-N	401.938	5.199	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2[nH]ccc2c1)c1nc(-c2c(F)cccc2F)cs1	765929101	JWFDQWXJZVGKDI-PKYBCLHXSA-N	405.429	5.459	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C	772461592	DJDFMUYLDLVHSF-UNMCSNQZSA-N	419.525	5.254	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc2[nH]ccc2c1)C(=O)Nc1ccccc1Oc1ccccc1	776078304	XRLUDWDGYYESQU-NRFANRHFSA-N	423.472	5.240	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F	780168100	AGTJFWNHXUDPMI-AWEZNQCLSA-N	424.451	5.126	30	20	HKED	
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)n1	781212654	CIJYXRYSDYPSHU-UHFFFAOYSA-N	424.526	5.004	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc(Br)cc1	783737678	LHKOMECPPUTWGT-LBPRGKRZSA-N	406.374	5.652	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2nc3cc(Cl)cc(Cl)c3o2)ccc1OC	788533127	CBALFYJWVIGVSO-CYBMUJFWSA-N	406.269	5.436	30	20	HKED	
C=CC[C@H](OC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc(Cl)c(Cl)c1	797552576	DSQRNZFVQUCLNH-INIZCTEOSA-N	408.310	5.325	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C(C)(C)C)c(Cl)c1	810529679	LUQWZLQYKHUQQN-SFHVURJKSA-N	410.945	5.723	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1	811869775	YJNJGSHWSGZSEQ-KRWDZBQOSA-N	400.910	5.065	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1)c1ccccc1	812894825	SWWSMPQPOXHIFQ-DQEYMECFSA-N	422.569	5.248	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1)c1ccncc1	813071676	CWRADBKFCDSFIO-IBGZPJMESA-N	404.341	5.595	30	20	HKED	
Cc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2F)cc(C)c1OCc1ccccn1	821003153	UWRQJRRKXUFPST-TWGQIWQCSA-N	406.413	5.221	30	20	HKED	
CS(C)(=O)=Nc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1	864015485	QCUZIGSHTCYMNN-UHFFFAOYSA-N	405.523	5.108	30	20	HKED	
COc1ccc(C=NNCc2ccc(Cl)cc2Cl)cc1OCc1cccnc1	915049993	BUKVZWYBIMITGL-UHFFFAOYSA-N	416.308	5.100	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1	915293211	IQEAOZGXUAEGCG-HSZRJFAPSA-N	422.488	5.353	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1OC	915700636	XXSBKPHAYVQYAB-FQEVSTJZSA-N	402.454	5.027	30	20	HKED	
CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916927347	HSIKITVEHQDXAB-MRXNPFEDSA-N	405.281	5.133	30	20	HKED	
CN(Cc1ccccc1)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1	917823348	MNLYGNBSRRZFIC-UHFFFAOYSA-N	401.535	5.067	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1=S	919942209	TXDXSSFMUGRLPO-LJQANCHMSA-N	411.550	5.136	30	20	HKED	
C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1	1786677348	RFFWMEJKTJCWFV-UHFFFAOYSA-N	400.588	5.010	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)cc1	1789449132	NYWATJKETULVCH-HXUWFJFHSA-N	423.944	5.251	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@]3(F)Cl)cc2)CCC1	1791672779	YANYWEIXSWNWLD-VGSWGCGISA-N	406.929	5.037	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)C)s1	1797153263	GRPCTKDJOGXSJO-FCGDIQPGSA-N	414.615	5.066	30	20	HKED	
Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCC(C)(C)C)c1	1801830628	MLQOGUAOAAPRED-NUNAXRQHSA-N	423.601	5.115	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2Cl)CC1	1829859289	HUAQBPNMKDUYBB-LJQANCHMSA-N	420.981	5.159	30	20	HKED	
C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1	1832029838	SGLFOGIJAZMBKZ-VWLOTQADSA-N	422.613	5.237	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)N(CCC#N)c1ccc(F)cc1	24013020	ACLRAARGUJHIIV-OAHLLOKOSA-N	411.527	5.377	30	20	HKED	
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc1OC	29105567	APJDIABBWWOIAJ-OAHLLOKOSA-N	408.523	5.183	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nc2ccccc21	29575404	RTCQOAIFMPQQCL-ZDUSSCGKSA-N	416.344	5.104	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cn1	41553947	GPNPQDHDGWOOAX-CYBMUJFWSA-N	407.804	5.367	30	20	HKED	
CC(=O)Nc1nc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2s1	58446533	SVJVPMFYWOPYNM-UHFFFAOYSA-N	412.474	5.046	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1	195535146	AORYGUXFEPDUHT-UHFFFAOYSA-N	412.917	5.220	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1F	216104490	CIBLDGLYZUCLFS-INIZCTEOSA-N	424.545	5.513	30	20	HKED	
C[C@H]1C[C@H](C)CN(Cc2ccc(CNCc3cccc(OCCCC#N)c3)cc2)C1	237709915	PIHVPKKDUAJQDM-VXKWHMMOSA-N	405.586	5.137	30	20	HKED	
CC[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1nc(C(F)(F)F)cs1	301444083	XLZNEGXGJHXJQE-GFCCVEGCSA-N	407.377	5.053	30	20	HKED	
COc1ccc(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1	303044160	WUYLGTLFCKAKLC-UHFFFAOYSA-N	404.491	5.398	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1OC	303505481	AYEICJXVEPUVEK-UHFFFAOYSA-N	415.795	5.107	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1	303527367	RBFLSDIAIBIFND-VQTJNVASSA-N	402.416	5.154	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Br)c(C(F)(F)F)c2)n1	426175777	VZRHSCRVBKKECG-SNVBAGLBSA-N	417.250	5.538	30	20	HKED	
CCCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1ccc(F)cc1	429633479	ILACFMYXFSJERO-HXUWFJFHSA-N	405.477	5.130	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(C)cc2)cc1	429829717	QENIGZXQUUFEQR-QHCPKHFHSA-N	402.519	5.139	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@H](C#N)c1cnc2ccccc2n1	435771157	KITBBLSIYAJNRB-CQSZACIVSA-N	423.259	5.390	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1	436353066	QPEKNJWEZSNCQW-YHBQERECSA-N	411.505	5.399	30	20	HKED	
COc1ccc(-c2cc(NC(=O)c3cc(C#N)cs3)ccc2OC(F)F)cc1	437401921	DRGHDWYAGBJJMW-UHFFFAOYSA-N	400.406	5.149	30	20	HKED	
CN(CCc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	437888866	LBQNRORGSQKCTF-UHFFFAOYSA-N	411.914	5.772	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1F	438657208	UKMLKXDJWRVHAS-NRFANRHFSA-N	419.431	5.998	30	20	HKED	
CCCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)c1ccccc1OC	438659170	YSOHYQSHJBPSSF-CQSZACIVSA-N	405.420	5.591	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1F	438718231	CHNWIYYIGRTTJZ-UHFFFAOYSA-N	408.863	5.005	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1	438857772	AUCKVXMDMHFLNC-NQIIRXRSSA-N	418.566	5.866	30	20	HKED	
COc1cccc([C@@H](NC(=O)NCC2CCC(C#N)CC2)c2ccccc2Cl)c1	440998451	IZOIPHJRJFHRHV-CNXQINBVSA-N	411.933	5.067	30	20	HKED	
C[C@@H](CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1	441296569	XHUXZGSPJIUERS-HNNXBMFYSA-N	408.552	5.224	30	20	HKED	
N#CC1CCC(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1	441377095	LTEYWPVZETZKBJ-UHFFFAOYSA-N	416.352	5.665	30	20	HKED	
CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(-c2ccc(F)cc2F)n1	442682513	UGTJQGQBDLSQCR-HNNXBMFYSA-N	420.419	5.215	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F	444988117	MANWMOPANOVQDZ-UHFFFAOYSA-N	423.479	5.128	30	20	HKED	
CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccccc3C#N)cc2)C1=O	445989044	CNAULRFOMOBKQK-QFIPXVFZSA-N	411.461	5.270	30	20	HKED	
O=C(c1cc2ccccc2cc1OC(F)F)N(CCC(F)(F)F)CC(F)(F)F	447698596	LWFSNPGCLJBKCI-UHFFFAOYSA-N	415.280	5.398	30	20	HKED	
CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Sc1ccccc1C#N	464721200	VQEFKZPMZNWPOG-UHFFFAOYSA-N	403.463	5.432	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1	466094553	DIEXILQAMODELL-LADGPHEKSA-N	403.526	5.422	30	20	HKED	
CC[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	467162418	KCFDYJNJOCWLPC-DEOSSOPVSA-N	424.504	5.179	30	20	HKED	
CC(C)(C)C(=O)NC1CCC(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1	468889318	GEBMGEVHZBZKFL-UHFFFAOYSA-N	419.525	5.010	30	20	HKED	
N#Cc1csc(CN2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1	470554140	VTBQMQDJUSUVIK-MRXNPFEDSA-N	420.378	5.231	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	472038248	MRZRSFZXBHPZJQ-HSZRJFAPSA-N	405.929	5.612	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	474512120	CWOZHJRARQRVGG-HSZRJFAPSA-N	418.928	5.316	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1	474898196	KAJOPEQHADNCRW-UHFFFAOYSA-N	409.489	5.385	30	20	HKED	
Cc1ccc(-c2ccc(C)c(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)o1	477548746	DIURCSXFLYGOAF-UHFFFAOYSA-N	415.493	5.229	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	480257626	CVKFGTNQCGHPHR-QRWLVFNGSA-N	405.889	5.012	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1SC[C@H](C)C#N	480536227	BPOUWIXUDHXXKI-CQSZACIVSA-N	405.976	5.873	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CC4(CCOCC4)c4ccccc43)c2)cc1	481444303	FQFKGTKNTGXRGR-UHFFFAOYSA-N	409.489	5.010	30	20	HKED	
CN(Cc1cccc(F)c1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	482440878	SYEDXQQRWBPJNC-HNNXBMFYSA-N	408.317	5.290	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)c2)c1	482822813	YXZMULABUKQXFZ-JOCHJYFZSA-N	424.422	5.812	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2)no1	483229998	FQDKCQMHGNAPBF-FQEVSTJZSA-N	410.477	5.363	30	20	HKED	
N#C[C@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1ccc(C(F)(F)F)cn1	483436653	GPTWZYLOSHSXNN-INIZCTEOSA-N	407.351	5.399	30	20	HKED	
CSc1cc(O)ccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	486933491	FQIBELXOLUTMRF-UHFFFAOYSA-N	419.506	5.517	30	20	HKED	
N#Cc1c(F)cccc1CSc1nnc(SCc2cccc(F)c2C#N)s1	488265924	OQPIUPUDMLBPKM-UHFFFAOYSA-N	416.503	5.144	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1	489176293	JWQNWKMMXPJHCE-UHFFFAOYSA-N	420.419	5.244	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccccc2Cl)cc1C	491108005	GKYJMKACNDAJDW-UHFFFAOYSA-N	406.917	5.006	30	20	HKED	
C[C@H](C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(F)c(F)c1	493506909	OJVSBENXPJKFGN-BJOHPYRUSA-N	409.301	5.090	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(COc3ccccc3)n2CCC(C)C)cc1	494518774	HVKKLTGDQGJOIV-JOCHJYFZSA-N	420.582	5.439	30	20	HKED	
N#CC1(CCCN[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)CCOCC1	499629325	YZUSZVOBBXDXBN-FPOVZHCZSA-N	408.508	5.812	30	20	HKED	
COCC1(C#N)CCN(C(=O)N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)CC1	500889141	LCMSRXDWWKQMCC-HNNXBMFYSA-N	417.962	5.091	30	20	HKED	
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	502529685	VRMPYGQKJSTDML-QHCPKHFHSA-N	421.522	5.163	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C	503371600	SUNVSMZPLWALIY-XCGNWRKASA-N	413.974	5.198	30	20	HKED	
C=CCOc1ccccc1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1	504806650	RJOGGLGTKMHDPO-UHFFFAOYSA-N	423.516	5.093	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)sc2nc(C(F)(F)F)ccc12	505791650	WWESCGDSIIWYMN-CYBMUJFWSA-N	409.820	5.272	30	20	HKED	
CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F	505849800	LDJDEIMVPREDNI-GFCCVEGCSA-N	404.326	5.255	30	20	HKED	
Cc1sc2ncnc(SCCC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2c1C	506188843	IZLDVNXSJQODDE-UHFFFAOYSA-N	410.568	5.230	30	20	HKED	
CCc1cccc2c1OCC[C@H]2NC(=O)c1ccccc1Sc1ccccc1C#N	506996975	MDNLIMZJBQMXCD-OAQYLSRUSA-N	414.530	5.525	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)c1ccccc1C#N	508076229	BQGLHQLSBHJVAJ-UHFFFAOYSA-N	409.898	5.111	30	20	HKED	
COc1ccc([C@@H](NC(=O)N2CCC(C)(C#N)CC2)c2ccccc2Cl)c(C)c1	508349986	OMJSZUDEMNXIHH-OAQYLSRUSA-N	411.933	5.082	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2ncc(C)s2)CC1	508910633	DGTOWLUTIYJUQP-UHFFFAOYSA-N	417.941	5.073	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccccc2OCC2CC2)cc1	508981475	SPYYZFHSELFUQH-UHFFFAOYSA-N	412.489	5.373	30	20	HKED	
CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)NCc1ccc(C#N)cc1	509279172	LUPBJXKKBAFMQK-UHFFFAOYSA-N	407.514	5.546	30	20	HKED	
N#Cc1cccc(COc2cccc(CNc3cccc(COCc4ccco4)c3)c2)c1	513002645	BZQJRBDXGYVUBM-UHFFFAOYSA-N	424.500	6.059	30	20	HKED	
CC[C@@H]1C[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCO1	514221708	FYBMVJAZVQHJTI-UKRRQHHQSA-N	400.466	5.245	30	20	HKED	
CCOc1ccc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C(C)C)cc1	515637498	SXXSEPKKURYYAK-UHFFFAOYSA-N	418.493	5.180	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1	517478217	JBFHUFSWJRXJDH-IBGZPJMESA-N	415.493	5.181	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1	518240344	WUGIIQIKDNYSOE-OAHLLOKOSA-N	421.547	5.647	30	20	HKED	
COc1ccc(CNC2(c3ccc(Cl)cc3)CCCCC2)cc1OCCCC#N	518279172	ZLYTULACISZPKK-UHFFFAOYSA-N	412.961	5.980	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1	518905733	DOVTWDDFNRUGTG-UHFFFAOYSA-N	405.429	5.072	30	20	HKED	
CSc1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	519064201	MWVHKXRIJANESC-INIZCTEOSA-N	403.507	5.512	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	519515624	ONAXEUSYJRTMQC-FVQBIDKESA-N	404.457	5.842	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCCc1ccccc1	520477928	KKJXNZOIWAFSCY-UHFFFAOYSA-N	413.521	5.622	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc2)nc1	521954598	UVBGSKDTBPNMME-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
CC(C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccs1	522654109	JLJYMCLQRCPGGG-UHFFFAOYSA-N	405.523	5.450	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	523088698	WMADAPJKHMLEOO-LSDHHAIUSA-N	406.473	5.917	30	20	HKED	
CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	523516805	YZRXBIDBCIICGR-QFIPXVFZSA-N	415.493	5.658	30	20	HKED	
C[C@H](c1ccccc1Br)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	532782919	FGEJPKFFAYIIIX-LLVKDONJSA-N	424.245	5.147	30	20	HKED	
C=CCC[C@@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	533076113	HJUNKNJQOXITCZ-LJQANCHMSA-N	404.432	5.410	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1	535203990	BJPUSRVFMHCMLQ-UHFFFAOYSA-N	404.539	5.362	30	20	HKED	
CC(=O)c1cc(F)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(F)c1	538551982	PIXHTDOVTPZONH-UHFFFAOYSA-N	410.351	5.223	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccnc1)Cc1ccco1	540128232	TYWUBYJLMJRYHD-QGZVFWFLSA-N	406.511	5.161	30	20	HKED	
Cc1occc1-c1nnc(SCc2ccc(CC#N)cc2)n1Cc1ccccc1	542213520	ULHSSGDYBORGOH-UHFFFAOYSA-N	400.507	5.253	30	20	HKED	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1	552668352	XORNMLSVDNSHAJ-UHFFFAOYSA-N	400.438	5.072	30	20	HKED	
C=CCC(C)(C)c1noc([C@H]2CCC(=O)N(CCCC)[C@H]2c2ccccc2OC)n1	556360605	AONQOEFOUMHDNK-RXVVDRJESA-N	411.546	5.179	30	20	HKED	
N#CCCn1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c(-c2ccccc2)n1	573766440	ACGUXEFEWNEPSU-UHFFFAOYSA-N	420.476	5.135	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](C)c1c(C)n[nH]c1C	575801275	DCCWARFAHAIBFN-MRXNPFEDSA-N	404.489	5.073	30	20	HKED	
C=CCN(C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C)C1CC1	582317143	DMJNKMTVACLJOO-ZDUSSCGKSA-N	420.376	5.302	30	20	HKED	
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C	590236795	DYICBCDIADTURM-UHFFFAOYSA-N	421.884	5.191	30	20	HKED	
CCOc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	604460598	FBCQHEVASSRNTK-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(NC(=O)C(C)C)c1	606766737	NPOVQKINSAPCQI-UHFFFAOYSA-N	406.404	5.117	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cs1	609415282	MNGXILDBCUAUHV-SFHVURJKSA-N	405.523	5.111	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609499611	URRZHBREGNGULH-UHFFFAOYSA-N	409.489	5.467	30	20	HKED	
Cc1csc(C2(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CCC2)n1	609732121	XZNZGBNXSJTWFZ-UHFFFAOYSA-N	423.925	5.578	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1	609845452	QVHBOUAAYYIAIQ-QGZVFWFLSA-N	405.527	5.038	30	20	HKED	
CCc1ccc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	609886148	HXUUBKMZVMSLMA-UHFFFAOYSA-N	400.547	5.385	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	609968687	YVYBLKXEMIUQGO-SFHVURJKSA-N	402.469	5.288	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1)C1CC1	609991507	KZNIDWDVAAJJOX-UHFFFAOYSA-N	424.504	5.065	30	20	HKED	
N#Cc1ccc(CNCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1Cl	619748803	PKDMUTHTUBSOLV-UHFFFAOYSA-N	410.304	5.407	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1)c1ccccc1	676422241	OCZBDEPYYYEDBG-SFHVURJKSA-N	404.457	5.146	30	20	HKED	
Cc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C	727979165	SDDRTUSZKGAABU-UHFFFAOYSA-N	421.953	6.216	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccnc3)cc2)c(C)n1-c1ccc(C#N)cc1	728551881	PURDFPAWDWUSKI-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCCCc1cccs1	731545761	DURZWCDQUXJNJD-MRXNPFEDSA-N	418.946	5.169	30	20	HKED	
CC(=NNc1nc(-c2ccc(Cl)cc2)no1)c1c(C)nn(-c2ccccc2)c1C	732924999	FIUOXVTYLIPVFG-UHFFFAOYSA-N	406.877	5.029	30	20	HKED	
C#CCN(C(=O)c1csc(-c2ccc(Br)s2)n1)C1CCCCC1	737520235	SVFJOWCKLHZUDF-UHFFFAOYSA-N	409.374	5.042	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)cc1C	741058552	DVKZIKMSJZJPRJ-SANMLTNESA-N	409.533	6.155	30	20	HKED	
Cc1cccc(C2(O)CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1C	743152337	SIUPESPSQRMIEH-QGZVFWFLSA-N	423.582	5.071	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN(C)[C@H]2CC[C@H](SCC)C2)c1=S	743398362	DNATVKUTLYFUHG-OALUTQOASA-N	402.633	5.139	30	20	HKED	
Cc1sc2nc(/C(Cl)=C\c3cc(C#N)cs3)nc(O)c2c1-c1ccccc1	748439479	UWXSLJWLFZKVIQ-OVCLIPMQSA-N	409.923	6.042	30	20	HKED	
C=CC[C@H](NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1)c1ccncc1	749723388	BEMUUSJFVAELKC-QFIPXVFZSA-N	423.582	5.020	30	20	HKED	
CC[C@H](C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	750683455	DIQCVTKCYAKCMG-LRDDRELGSA-N	405.281	5.132	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1ccc(SCC(F)(F)F)cc1	753144648	PIEDCHKESMXCSA-HJWRWDBZSA-N	406.454	5.756	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(SCc3ccccc3)cn2)cc1Cl	753897957	GDIFEFTYXBHQBO-UHFFFAOYSA-N	410.955	5.708	30	20	HKED	
CO[C@](C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1F	759434264	DOCFNHLARUJDPD-BTYIYWSLSA-N	414.889	5.341	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(F)cc3OCC#N)s2)cc1	761669056	USYJLAMQRVPPSX-HNNXBMFYSA-N	424.501	5.351	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1ccccc1C(F)(F)F	764306807	YCEIHRJHGCQNKH-SNVBAGLBSA-N	411.767	5.271	30	20	HKED	
C[C@@H](SCc1ccccc1)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764753188	IAEHJLBUJHKDCW-SECBINFHSA-N	410.326	5.023	30	20	HKED	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1	766238507	UKQSODHULDJHLW-WCQYABFASA-N	417.303	5.253	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)c1	767814715	MGQJMZJSOKSLBD-YLJYHZDGSA-N	419.447	5.169	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C	771526760	KDPVRVQUQJQEAR-UHFFFAOYSA-N	423.557	5.176	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)ccc1NC(=O)OC(C)(C)C	774167608	ZPMMAGLNKRZYJT-UHFFFAOYSA-N	413.543	5.825	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2nc3ccccc3cc2C)cs1	776785134	DQSBOONMFWCJTE-UHFFFAOYSA-N	415.522	5.439	30	20	HKED	
N#Cc1ccc(C(=O)/C=C\c2cnc(-c3ccc(Br)cc3)s2)c(F)c1	781108209	NVLRIGIAYZQWDO-VURMDHGXSA-N	413.271	5.479	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1C#N	781871949	DODAIFXYUIIGFN-UHFFFAOYSA-N	410.474	5.086	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC3CCC(C(F)(F)F)CC3)n2)cc1	783358102	XLEVZDXYUVVMJR-PREGVCBESA-N	406.473	6.054	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(Oc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1	785836273	VTEFIQNMZQJZME-UHFFFAOYSA-N	406.398	5.154	30	20	HKED	
CN(C(=O)c1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCC1	793134644	DGUQWMYVVHVCGY-HXUWFJFHSA-N	403.526	5.117	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccccc1	793255647	QZBXRAYZWGDIJR-QGZVFWFLSA-N	418.884	5.013	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)cc1	796904659	MTTQOOFKHULLMP-YLJYHZDGSA-N	408.498	5.265	30	20	HKED	
N#C[C@H](C(=O)CC1CC(c2ccccc2)C1)C(=O)Nc1ccc(SC(F)F)cc1	798815863	FAFOAOLRKQEMDP-GSQSYGFSSA-N	414.477	5.233	30	20	HKED	
N#Cc1ccc(/C=C2/SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)cc1	799200433	ARVGLEULBIWZAA-GZTJUZNOSA-N	416.980	5.205	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	801660207	DIUQQZSBAXDSQW-KBMIEXCESA-N	410.517	5.923	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cc(NCc3ccc(C#N)cc3C(F)(F)F)ccc21	810149760	UDJZTSMMVZANEE-UHFFFAOYSA-N	417.431	5.487	30	20	HKED	
Cc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	812392729	UZCPEPKAOWNGIY-UHFFFAOYSA-N	421.507	5.061	30	20	HKED	
C#Cc1ccccc1CC(=O)N(CCC)[C@H](c1cccnc1)c1ccc(F)c(C)c1	813027761	YVYQJYDJGDHTIR-SANMLTNESA-N	400.497	5.081	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)cc(OC)c1OC	916140164	DBYBLMKNHCWWQO-FLIBITNWSA-N	414.404	5.363	30	20	HKED	
COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)c1cccc(C#N)c1	916879347	SBUFCUUEGUNBMJ-UHFFFAOYSA-N	422.440	5.192	30	20	HKED	
CCc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	916905323	MZZYHVPRQIMWRF-QFIPXVFZSA-N	412.489	5.321	30	20	HKED	
Cc1cccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c(Cl)c12	916919660	YTLJTIQSEVBWTB-MRXNPFEDSA-N	418.905	5.978	30	20	HKED	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)c1cccc(CC#N)c1	919313538	FQANPAZRUMRNGC-UHFFFAOYSA-N	412.917	5.107	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1	1286622842	KXTFDKJPFYLFND-QUCCMNQESA-N	414.981	5.000	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1	1789453261	SAWNLFKXDAAFET-JNKLARPZSA-N	404.510	5.195	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)[nH]n1	1819555085	YULKMBRQMCZQQB-SFHVURJKSA-N	418.557	5.067	30	20	HKED	
C=CCn1c(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)nnc1-c1ccccc1	7439776	YWZYXOZMQLVJME-NRFANRHFSA-N	420.582	5.127	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)c(C)c1	10168858	ARBSAOXGALPWCY-UHFFFAOYSA-O	403.571	5.765	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1	10657553	XNZYONXBKZTITC-CQSZACIVSA-N	422.583	5.188	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccoc1C	23934239	RBUGAGGQAKTUAZ-QGZVFWFLSA-N	410.543	5.077	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Br)c3)n2)cc1	41511497	MGYGICJZOBGIJK-ZDUSSCGKSA-N	403.326	5.433	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1	41512596	WWMURKJDDZTEQQ-MRXNPFEDSA-N	409.492	5.239	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	60477515	RZUYVUWMSRJQQH-OAHLLOKOSA-N	406.816	5.972	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2	61046364	BEAXIWXPBSJPGR-UHFFFAOYSA-N	413.955	5.836	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1	71944230	ZAKKVGMHYCTBSR-QHCPKHFHSA-N	412.493	5.329	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1C	146805742	KFGNDSPTVHRECR-NRFANRHFSA-N	419.488	5.119	30	20	HKED	
C=CCn1c(SCc2ccc(Cl)c3cccnc23)nnc1-c1ccccc1F	195571949	BMBFPPSKSPHELH-UHFFFAOYSA-N	410.905	5.764	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCCC[C@@H]1/C=C\c1cccs1	221789275	OVBSZYZGISJOHW-HMZRMUTASA-N	421.566	5.213	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCc3cccc(OCCCC#N)c3)s2)cc1	237496068	UWEVUDPEMQJXPI-SFHVURJKSA-N	405.567	5.960	30	20	HKED	
CC(=O)c1ccc(C#N)cc1NCc1ccccc1-c1ccc(Cn2ccnc2)cc1	302104937	NASOQBLDEUWVIU-UHFFFAOYSA-N	406.489	5.285	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)ccc1C	303978846	GJYFXIVWLFFUIT-UHFFFAOYSA-N	422.282	5.377	30	20	HKED	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	409540980	LYNOALJTVHGMNM-GMAHTHKFSA-N	414.461	5.110	30	20	HKED	
CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	429048189	MJMWCISZHQUHOB-DHIUTWEWSA-N	423.582	5.517	30	20	HKED	
CCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1	430004451	ZQMGDWHVDDQHQM-OAQYLSRUSA-N	423.944	5.115	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1	437540362	VKQCXQNMHDNSHV-IHPCNDPISA-N	401.432	5.296	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cc1	437843741	SXFJUXANJOYAHF-MBSDFSHPSA-N	421.516	5.255	30	20	HKED	
CCCc1c(NC(=O)c2cc(Cl)sc2Cl)cnn1-c1cccc(C#N)c1	440101410	MNQNLRREYPDKTH-UHFFFAOYSA-N	405.310	5.317	30	20	HKED	
C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nc2ccccc2n1C(F)F	443907286	YVEMWYXVVXIKKO-OAHLLOKOSA-N	421.451	5.181	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c2ccccc21	444262445	KGSVQHJAAXGLNB-UHFFFAOYSA-N	419.488	5.741	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)cc1O	444847282	JIWPTJOQHYKUCE-UHFFFAOYSA-N	401.466	5.298	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1	468388176	QKPKAICDYJANCI-OAQYLSRUSA-N	424.909	5.279	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN2Cc2ccccc2)cc1Cl	468412576	UWCPLLRWBQMYBE-UPVQGACJSA-N	415.924	5.208	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1	468768688	ARGMIBIGFJMZDY-MRXNPFEDSA-N	415.522	5.233	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3cc(Cl)ccc3OC(F)F)ccc21	469260515	YHAVPCQEGDTYMI-UHFFFAOYSA-N	419.859	5.136	30	20	HKED	
CCC(=O)c1ccc(Cl)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1	471395244	YJQZYPAANVDIJY-UHFFFAOYSA-N	408.841	5.229	30	20	HKED	
CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1	473768108	UCGYBGKGIMZVJQ-WMZHIEFXSA-N	404.558	5.177	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1	474430313	HGMHTISPSVDVPC-LJQANCHMSA-N	413.502	6.079	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1	476605819	YWLMKYDKVPFCMD-HXUWFJFHSA-N	400.444	5.499	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	480550356	IOAUVFDXLFUGIM-UHFFFAOYSA-N	420.881	5.551	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(-c2ccccc2)nc1C	480823478	SYKSYZCXMARGJY-UHFFFAOYSA-N	421.460	5.072	30	20	HKED	
COc1ccc(C[C@H](NCc2ccc(Cl)cc2C#N)c2ccccc2)cc1OC	480897218	KUAJXXGXTYJPEU-QFIPXVFZSA-N	406.913	5.302	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1	483021478	GWYMEBDJUNYSSZ-XUZZJYLKSA-N	416.569	5.006	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2cnc3ccccc3n2)sc2nc(C(F)(F)F)ccc12	483229338	KNNRPCMJNCNJPH-GFCCVEGCSA-N	412.396	5.057	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(OC2CCCC2)c1	485519203	LACZTEDFYHDHSD-MRXNPFEDSA-N	410.539	5.521	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	489039955	FILSNIVIAXQFOW-QGZVFWFLSA-N	410.901	5.226	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CCCN(C)C)CC1	490327825	PFUFOYODVGQOFE-UHFFFAOYSA-N	420.557	5.245	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	494306431	COIXIJGJZZBRLH-HZPDHXFCSA-N	409.898	5.511	30	20	HKED	
CC[C@@H](C)CN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1	496334649	WKKSFUBXABBTKE-GFCCVEGCSA-N	410.465	5.134	30	20	HKED	
CCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](C)c1ccc(C#N)cc1	497619156	IMAHVURRIYPITD-KRWDZBQOSA-N	420.582	5.172	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc([C@H]4CCCOC4)c3)n2)cc1	500467717	WWAOGWQYRAGQEF-SFTDATJTSA-N	413.502	5.066	30	20	HKED	
CCOc1ccc(-c2nc(Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)cs2)cc1	502854792	HJWARSXCKIXLJV-UHFFFAOYSA-N	421.909	5.097	30	20	HKED	
Cc1c(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)sc2nc(C(F)(F)F)ccc12	502989334	YRTAPHQSJXWCHN-UHFFFAOYSA-N	415.440	5.300	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCCn3ccnc3C)n2)o1	504554192	JRUHLEJGCHALGL-UHFFFAOYSA-N	406.433	5.228	30	20	HKED	
CCN(Cc1c(F)cccc1F)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	505908920	BHCCSXBQDOOSDU-UHFFFAOYSA-N	422.479	5.021	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc2ccccc2s1	513668171	ZCFPJZBFJPQFSY-CQSZACIVSA-N	418.499	5.286	30	20	HKED	
COc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1	515224534	RPJCJPWRTMUKLX-QFIPXVFZSA-N	410.477	5.002	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Br)cc1C(F)(F)F	515795252	GTUCTUCTTKSXOH-UHFFFAOYSA-N	419.266	5.750	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)c(C#N)c3)c12	516340673	SLHFCXZTVQZHFQ-UHFFFAOYSA-N	406.829	5.213	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)c1ccccc1Cl	520856408	DDYBPYAPBAAUQV-OAHLLOKOSA-N	401.963	5.691	30	20	HKED	
C=CCn1c(SCc2ccc(SC)c(OC)c2)nnc1-c1ccccc1OC	521866723	UDBXNJRWAFOJCM-UHFFFAOYSA-N	413.568	5.163	30	20	HKED	
CC(C)[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1Cl	523764414	VIGYDTSZQYCVLI-QFIPXVFZSA-N	411.933	5.162	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cnc(-c4ccccn4)s3)c2C#N)C1	524086767	YGGOZQVNTDIKEU-ZDUSSCGKSA-N	422.579	5.542	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2Cl)c1	524422199	BPZXBYFWIOPYEA-UHFFFAOYSA-N	419.824	5.291	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H](C)S1	525221631	IGJLYHDONQXPMD-ZIAGYGMSSA-N	401.919	5.362	30	20	HKED	
CC(C)N(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1ccc(C#N)cc1	533251161	JBVKZXUCQUAINQ-UHFFFAOYSA-N	410.732	5.368	30	20	HKED	
COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1Cl	536269739	VINHVFKXAAGQMH-UHFFFAOYSA-N	414.836	5.625	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c1	537716898	WMLUITZZUPIZKC-UHFFFAOYSA-N	417.494	5.090	30	20	HKED	
N#Cc1ccc(CN2CCC(N[C@H](Cc3ccccc3)c3cccs3)CC2)cc1	538406743	SFONQFGOCAGOFY-XMMPIXPASA-N	401.579	5.158	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(OCc2ccccc2)CC1	539777280	VXQLIAFYIZGZRG-UHFFFAOYSA-N	412.489	5.172	30	20	HKED	
C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCOC2)CC1	549661022	SOGAEZWKJSMVDZ-HNNXBMFYSA-N	414.962	5.006	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(C)=O)c1ccccc1	559103260	LTFPICVTTCSWTJ-HXUWFJFHSA-N	413.930	5.119	30	20	HKED	
CC(C)(C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)c1cc(F)cc(C#N)c1	560822745	WRBASHBQZQZIRS-UHFFFAOYSA-N	413.905	5.068	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C3CC3)C3(C#N)CCC3)cc12	563800340	RQRDPAFQURWLAY-UHFFFAOYSA-N	410.930	5.100	30	20	HKED	
N#CCCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccc(F)cc1	572573866	OMYLJVXXPYMKSU-UHFFFAOYSA-N	408.458	5.092	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)CC3	589365423	VKUOXCPZRUZUME-UHFFFAOYSA-N	423.476	5.126	30	20	HKED	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1	603808287	ZGBFIJJMWSUZQY-HNNXBMFYSA-N	407.857	5.113	30	20	HKED	
C=CCOc1c(Br)cc(CNC2(c3cccc(F)c3)CC2)cc1OCC	606917161	QRLIJZOZEFKMEI-UHFFFAOYSA-N	420.322	5.331	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSC[C@@H]3CCCCO3)c2C#N)C1	608932233	GRECDPYBJFJBOR-GJZGRUSLSA-N	406.617	5.012	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	609286943	AIUOGDNNIKAIFL-INIZCTEOSA-N	402.306	5.420	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccccc1Cl	609371421	JUXIUPHONGOBAW-HUUCEWRRSA-N	404.988	6.167	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccc(C#N)cc1	609682518	LALBFXCBXKAWME-OAHLLOKOSA-N	418.884	5.347	30	20	HKED	
CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	609772972	QMHAKYBHANGAIK-TZIWHRDSSA-N	409.555	5.241	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1	609861789	NPLJXEVLMYASCC-UHFFFAOYSA-N	402.425	5.169	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1	610019534	GCRJQUINVURVCX-UHFFFAOYSA-N	403.404	5.028	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C)c1cccc(C#N)c1	610361984	NFVRVIQOACOYTO-AWEZNQCLSA-N	423.925	5.325	30	20	HKED	
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2ccccc2F)s1	610809913	MOYSJKCTWAAKBG-INIZCTEOSA-N	406.530	5.140	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N1CCC[C@](C)(C#N)C1	612335365	OMNFUJQETWQMJE-JOCHJYFZSA-N	408.502	5.568	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1ccc(F)cc1F	613392546	YMEXGQSFEMRLBG-INIZCTEOSA-N	420.444	5.073	30	20	HKED	
CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(C#N)cc1F	614980361	OQRRAIGJBUMYQH-UHFFFAOYSA-N	404.319	5.133	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	642432013	JLJCTPWDGRGYIO-UHFFFAOYSA-N	419.575	6.169	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1OC	644637054	KKYBDJWRPQZNKI-UHFFFAOYSA-N	417.465	5.156	30	20	HKED	
Fc1ccc2c(c1)[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)CCS2	675739509	XZSBRYBWSUQIDI-PKFCDNJMSA-N	401.391	5.862	30	20	HKED	
Cn1cc([C@H](NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2cccc(F)c2)cn1	679331900	QKFWVPZPDGMSHH-GRDNDAEWSA-N	423.376	5.148	30	20	HKED	
CC1(NC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)CCC(F)(F)CC1	681495194	SSWKUQPDMXBIMW-GFCCVEGCSA-N	416.337	5.159	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(OCCCC#N)c2)cc1Br	726743605	NCAMQCJWDPTCEV-VQHVLOKHSA-N	400.272	5.036	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)OCc1ccc(-c2ccccc2C#N)cc1	727023788	YSARLUDXVBFHSF-UHFFFAOYSA-N	414.486	5.536	30	20	HKED	
CC(C)c1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	727980848	RZHAJQLXAKNISM-UHFFFAOYSA-N	401.535	6.070	30	20	HKED	
C#Cc1cccc(N(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)C(C)C)c1	728246688	FJRGTYRNCIHQAQ-UHFFFAOYSA-N	400.453	5.115	30	20	HKED	
COc1ccc(/C=C/C(=O)c2cccc(OC(F)(F)F)c2)cc1OCCCC#N	730949357	UFOGYXIHIHUWSM-VQHVLOKHSA-N	405.372	5.172	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)n2)cc1	731289310	UGOAMJCMDDWGAX-XPWALMASSA-N	419.509	5.815	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)sc21	731645640	PFHBZUALLGETCU-MRXNPFEDSA-N	413.424	5.406	30	20	HKED	
FC(F)(F)c1ccc(C=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	733080273	UMRZYMTVSZGDCG-UHFFFAOYSA-N	411.309	5.022	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1)c1ccncc1	734658204	DGQZBYLPHGVRGF-OAQYLSRUSA-N	402.498	5.002	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)cc1	741389415	BKSCADVLAXMFHA-DQEYMECFSA-N	421.504	5.102	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1c(Cl)nc2sccn12	741842633	ANRUCDNIGUMVFA-WAYWQWQTSA-N	406.319	5.722	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1-c1ccccc1	744073851	HDCFQENONAUWHG-OAHLLOKOSA-N	419.456	5.584	30	20	HKED	
O=C(/C=C\c1ccc(OCc2ccccc2F)cc1)c1ccc(N2CCOC2=O)cc1	748584859	VKVXNACPUHFRCC-AUWJEWJLSA-N	417.436	5.257	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)Sc3ccnc4cc(Cl)ccc34)[nH]c12	750713772	SMFKTHKOWUUGPO-XJKSGUPXSA-N	420.925	5.430	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1)c1ccccc1	757039290	NQEGRIKRVKGUKS-GIVPXCGWSA-N	415.578	5.029	30	20	HKED	
COc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	759278157	BRZBXODUCDFHDL-BBRMVZONSA-N	412.461	5.152	30	20	HKED	
COc1ccc(OC)c(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1	760434086	ULZOETHVJHHKBK-NSHDSACASA-N	422.268	5.172	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Cc3ccc(Cl)cc3C2=O)cs1	762446519	JFFBRSUZZNNKIA-NTEUORMPSA-N	412.873	5.443	30	20	HKED	
C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1	765101371	XRYAGLXWWIPBAK-PMACEKPBSA-N	416.521	5.093	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl	765912106	YVTWZCKSVAKTPD-FQEVSTJZSA-N	405.885	5.326	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cnc(Cl)c(Br)c1	769990271	ZIZICSNASNCIER-UHFFFAOYSA-N	412.674	5.288	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3ccccc3)nc2C)ccc1OC	772979859	OBAXOZYXTBHPEH-UZLBHIALSA-N	421.566	5.659	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	774088688	FVXDIYFZEACANA-CQSZACIVSA-N	411.458	5.272	30	20	HKED	
COc1cccc(-c2nc(/C=C3/CCc4ncc(C(F)(F)F)cc4C3=O)cs2)c1	777469762	MKYZZPHUZMUFFQ-GHXNOFRVSA-N	416.424	5.445	30	20	HKED	
COc1ccc(O)cc1C(=O)/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1	779711515	PRQAZKJUYYSFOI-PKNBQFBNSA-N	407.853	5.203	30	20	HKED	
N#C[C@H](C(=O)CCOc1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	780315807	ZGLSQFJSASXSMG-GOSISDBHSA-N	405.404	5.230	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc1OC	785694087	NZRVZOYLJSCFCG-ALCCZGGFSA-N	409.448	5.045	30	20	HKED	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nccc2ccccc12	792100961	NCUGVAPPIVAQCU-BLLLJJGKSA-N	401.318	5.899	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1	793706759	YXIANOGBSSZHQS-UHFFFAOYSA-N	413.502	5.722	30	20	HKED	
COc1ccc(-c2nc(/C=C\C(=O)c3nc(Br)ccc3F)cs2)cc1	794973700	XTTXGHGQNLRNTA-YWEYNIOJSA-N	419.275	5.011	30	20	HKED	
C#Cc1cncc(C(=O)Nc2c(C)cccc2-c2nc3ccc(F)cc3n2C(C)C)c1	798245750	NIRJXGYYQPMYKD-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
CSCc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	806200827	NYKBJZVCIXCDDB-HSZRJFAPSA-N	401.535	5.527	30	20	HKED	
Cc1nc(C)c(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1	809974732	JQIYRDLUAJMSSY-ZDUSSCGKSA-N	420.275	5.722	30	20	HKED	
COc1cc(COC(=O)c2ccc(C(C)C)cn2)ccc1OCc1cccc(C#N)c1	811263888	OXLJRHVQJPFYFO-UHFFFAOYSA-N	416.477	5.021	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccccc1C)[n+]1cc(O)cc(-c2ccccc2)c1	811723950	SKLFBVRQLGVQLS-UHFFFAOYSA-O	417.554	5.032	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1OCCc2sccc21	814305788	NTRISEDQXWXKRC-YROCYRMSSA-N	402.519	5.292	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	915351701	BEJHIYLXOHROLO-UZUQRXQVSA-N	415.493	5.242	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1	916050465	AOKFFFYCPZYNOA-QHCPKHFHSA-N	412.880	5.433	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1	916844170	WWQJWQTVLAOWHE-KRWDZBQOSA-N	414.328	5.112	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Cl)cc2)CCCC1)c1nc2ccccc2n1C(F)F	917039589	AKJKFCXCUYHLPL-MRXNPFEDSA-N	413.855	5.773	30	20	HKED	
N#C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1	917045629	YZENTLMZBHVOLI-TXIRFUDISA-N	404.457	5.708	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ccc(Cl)c3cccnc23)cc1OC	917396806	IYOVNPSYZDUYAR-UHFFFAOYSA-N	405.281	5.500	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccccc2Cl)c1=S	917484244	ZQTZOVGSDCKVRQ-LJQANCHMSA-N	411.962	5.110	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nc2ccccc2o1	917510187	VPEMHLJYMYUMGQ-LJQANCHMSA-N	404.429	5.171	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cs1	917561867	QIAZETZECZVWRD-KAMYIIQDSA-N	422.525	6.160	30	20	HKED	
C[C@@H](Cc1ccc(F)cc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	921005642	IMZUHTQDTSVHRD-SFHVURJKSA-N	404.460	5.244	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(OCC(F)(F)F)cc2)S1	921259308	MXPGJTKYRUQSQB-MHWRWJLKSA-N	406.429	5.136	30	20	HKED	
C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CCC1	1785963868	YTTQIFRABAGIMU-UHFFFAOYSA-N	412.892	5.030	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C)n3)cc2)CCC1	1787073565	IWQFQEOYDWIKDR-UHFFFAOYSA-N	421.516	5.045	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1	1824351684	FPCDMGRIYOWQBU-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1	1827980525	QPOAKCHKWOMUDC-GOSISDBHSA-N	420.981	5.159	30	20	HKED	
N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c(F)c1	12106120	ILRPRLGVGBCEGF-UHFFFAOYSA-N	400.482	5.161	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(C(C)(C)C)cc1	27808722	BRGUFAZAFLAOFQ-OAHLLOKOSA-N	411.575	5.788	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccccn1	41480505	DSLZUHXILGYZKR-GOSISDBHSA-N	410.260	5.131	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOCCc1ccccc1	55327190	WTXGOQNTDCRCHR-UHFFFAOYSA-N	415.493	5.032	30	20	HKED	
Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1-c1ccccc1C#N	60628351	SFMWJAAJUICXCZ-UHFFFAOYSA-N	420.516	5.082	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1	64267521	HTAYLXLROJCXGC-UHFFFAOYSA-N	423.516	5.058	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1	72025849	LSDQLOYFBSAFPC-UHFFFAOYSA-N	423.472	6.178	30	20	HKED	
Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cccc(OCCCC#N)c2)cc1	110430378	RIKKREOBZYRPAB-RUZDIDTESA-N	411.505	5.444	30	20	HKED	
C=CCc1cc(CNC(c2cccc(OC)c2)c2cccc(OC)c2)cc(OC)c1O	237342176	HIVXSUWTLSKULQ-UHFFFAOYSA-N	419.521	5.026	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2csc(-c3ccccc3)n2)c1	237839682	VBMMCQKWPZJWSV-UHFFFAOYSA-N	411.530	5.551	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	428199141	LNQDIMGDQKBUIV-KRWDZBQOSA-N	419.506	5.262	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)s1	430636961	ADNFNALJBZTNOJ-CQSZACIVSA-N	418.444	5.135	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1sc2ccc(Br)cc2c1C	431439168	AXTPLOIZDHFEEW-UHFFFAOYSA-N	401.285	5.105	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2ncc(C#N)cc2Cl)c(C(F)(F)F)c1	431570310	MEJCDLPVFVUASM-JTQLQIEISA-N	413.852	5.768	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2cccc(Cl)c2)CC1	432078395	LKRAVTIAJGTFFS-INIZCTEOSA-N	413.974	6.146	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1ccccc1	435362816	QPIKDUAEQOAVLW-QGZVFWFLSA-N	404.539	5.500	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC[C@H](SC)C2)cc1	435616263	KFLOADQMRMBCHO-IBGZPJMESA-N	411.527	5.109	30	20	HKED	
CC(C)[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCS1	437769844	FBZNRSYYPMQRIO-PZJWPPBQSA-N	413.974	5.601	30	20	HKED	
COc1ccc(C[C@H](NCc2ccc(C#N)cc2Cl)c2ccccc2)cc1OC	439454276	RBMYOJFKVAVWME-QFIPXVFZSA-N	406.913	5.302	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1cccnc1)c1ccc(C(F)(F)F)cc1	441538999	XOSZUJAFSWVHTO-VQTJNVASSA-N	403.448	5.654	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	443869162	PBZHOYGCGSAEMS-UHFFFAOYSA-N	424.394	5.018	30	20	HKED	
C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1cccc(F)c1	460564244	LHBACJNQMWMFOU-QFIPXVFZSA-N	406.505	5.052	30	20	HKED	
C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC[C@@H]1c1csc(C)n1	460770860	NKDGDAYPCWCTCM-LJQANCHMSA-N	413.978	5.205	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	463195712	FGTNUYYPZTUKTA-QGZVFWFLSA-N	423.538	5.059	30	20	HKED	
CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F	464612687	YURMAQNJIJVAER-UXHICEINSA-N	416.443	5.330	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(Oc3ccccn3)cc2)c1	467419649	OTFFYPBVCAWIOQ-HXUWFJFHSA-N	414.509	5.238	30	20	HKED	
COc1ccc(C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1	467705642	NBUGZWSLBLPEJD-QGZVFWFLSA-N	409.555	5.501	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)o1	469067829	PXJNLFCFPHRJEC-UHFFFAOYSA-N	417.484	5.589	30	20	HKED	
COc1ccc([C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccc(F)cc2)cc1	475176638	TULXRNDMXTWJGD-OFVILXPXSA-N	402.469	5.127	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1	475449176	SYCLFIBQPGVPAG-FQEVSTJZSA-N	411.461	5.385	30	20	HKED	
CCOc1ccc(-n2c(SCCCC(C)(C)C#N)nnc2-c2cccnc2)cc1	476475230	CVCSDKDIGGQGRW-UHFFFAOYSA-N	407.543	5.150	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1OCCOc1ccccc1)c1nccc2ccccc12	483193840	GFDIYXRWXGTOEY-QHCPKHFHSA-N	408.457	5.183	30	20	HKED	
Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c3c2CCCC3)cc1	483224798	ZAWFBROTAIXXCF-QFIPXVFZSA-N	406.489	5.098	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1	485766514	LTYQZMGMYLDPDG-UHFFFAOYSA-N	420.509	5.286	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(C(F)(F)F)cs1	486808807	DITLHKIQSZMRSW-AWEZNQCLSA-N	417.456	5.463	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3[C@H]4Cc5ccccc5[C@@H]43)c2)cc1	494245603	SSVSZTHEOLWJIW-CYXNTTPDSA-N	423.516	5.039	30	20	HKED	
C=CCc1ccc(OCC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c(OC)c1	499354606	FTMBZZQWHDYLLQ-HNNXBMFYSA-N	407.432	5.041	30	20	HKED	
CC(C)CN(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(C#N)cc1	501957397	LFKBPEFOJMRVIT-UHFFFAOYSA-N	412.415	5.066	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(CCC(F)(F)F)cc1	502023079	MPBRUZKRUIWRKJ-UHFFFAOYSA-N	409.301	5.514	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1OCC	502664981	FDHPWXUMKGHIDV-UHFFFAOYSA-N	407.283	5.207	30	20	HKED	
CC(C)n1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	503520788	JIEHRVZCRRYFHM-ZDUSSCGKSA-N	405.310	5.384	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(OCc3cscn3)c2)cc1	505818918	DISHENFDWXPQJR-NRFANRHFSA-N	405.523	5.014	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc1	506052966	BHNVDZNHEJRMRX-JOCHJYFZSA-N	417.484	5.569	30	20	HKED	
CC[C@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(OC)cc1	507542467	CJIVRDIXZCHDMY-GOSISDBHSA-N	404.432	5.042	30	20	HKED	
C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1scnc1C	508478065	PLMSGGVKSQGAEI-KRWDZBQOSA-N	419.554	5.159	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2cccs2)C1	508845975	DUUDJCPJZUDKCA-MRXNPFEDSA-N	421.353	5.077	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2c(C)cccc12	509263673	MZORUOIOVFJIDX-UHFFFAOYSA-N	410.473	5.947	30	20	HKED	
Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)c(Cl)c1	510195331	DERLNLNKTQRMLF-UHFFFAOYSA-N	407.926	5.621	30	20	HKED	
C=CCOc1cccc(NC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)c1	510987738	SUXVYZHTUVCLON-UHFFFAOYSA-N	404.514	5.026	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4cccc(Cl)c4)n3)n2)cc1	511358932	IVCPHYSNCCHOOR-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)Cc3ccccc3Br)c2)c1	511506798	JJYLCECUXIMDIM-UHFFFAOYSA-N	421.294	5.081	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1Cl	515241919	GDNQOEBRAFHYHG-KRWDZBQOSA-N	415.707	6.555	30	20	HKED	
C=C(C)Cn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	516983309	ZKUOVEVMKCFWIJ-SFHVURJKSA-N	407.345	5.006	30	20	HKED	
CC(C)Oc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	517801176	ZHHKSOCGBMVHCU-CQSZACIVSA-N	403.816	5.362	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	518009715	KBWWAKBYXGRNCZ-SFHVURJKSA-N	415.493	5.497	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC)c1ccccc1OC(F)F	519877536	DEGQCDKKDATCTR-SFHVURJKSA-N	419.428	5.045	30	20	HKED	
N#Cc1c(NC(=O)c2cnc(-c3ccccc3)nc2)sc2c1-c1ccccc1CC2	520971367	NHTGXZSNUPLCFK-UHFFFAOYSA-N	408.486	5.095	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nnc(-c3ccsc3)s2)cc1	521607821	VXHDXRWZDWHAKS-UHFFFAOYSA-N	422.466	5.322	30	20	HKED	
Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	524566680	YNSVKKJOIIRWKH-IBGZPJMESA-N	419.550	6.074	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](COCc1ccccc1)c1ccccc1	525439882	NJIWNUGOXNZBMB-HSZRJFAPSA-N	406.551	5.404	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1Cl	525658082	JVNRNMLZRFYLED-RTWAWAEBSA-N	418.949	6.214	30	20	HKED	
COc1cccc(-c2nc(CSc3ccc(C#N)cc3Cl)cs2)c1OC	531798202	AJVPAVLQJCQIAM-UHFFFAOYSA-N	402.928	5.645	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N	534433700	USDSTKSWDLABAL-MRXNPFEDSA-N	416.616	5.079	30	20	HKED	
COc1cc([C@@H](C)NC2CCC(Oc3ccccc3C#N)CC2)ccc1OC(F)F	536873483	YVXQUSISEGGMFH-VNCLNFNDSA-N	416.468	5.209	30	20	HKED	
CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)c(Cl)c1	540273180	CAGSQWRVUQKUPY-CVEARBPZSA-N	408.807	5.267	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1	541657253	PMWFVGIVGJZYCD-CYBMUJFWSA-N	419.485	5.030	30	20	HKED	
N#CCC1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1	541972864	XDRGWNTWQGOYOL-UHFFFAOYSA-N	409.342	5.198	30	20	HKED	
C=CCOc1ccc(/C=C\c2nc([C@H](OC)c3ccccc3Cl)no2)cc1OC	546521459	SWIUEWWAKQFXQG-JQZHBYGZSA-N	412.873	5.203	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1	552651613	ZTTAXJWAZXPBHM-FQEVSTJZSA-N	415.468	5.820	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1	553329604	LWZZGWRMZBBBDP-QGZVFWFLSA-N	408.548	5.406	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@](F)(c2ccccc2F)C1	554908033	IZPBLPBXTNKMJZ-BTYIYWSLSA-N	401.482	5.180	30	20	HKED	
C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	558504155	LZXOWFXMZILPKI-AWEZNQCLSA-N	408.408	5.249	30	20	HKED	
C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	578735648	VGBGWJDZNGSMMM-QFIPXVFZSA-N	401.558	5.089	30	20	HKED	
CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3cc(C#N)ccn3)ccc21	603726872	DUGFWCOAEJTIPI-HNNXBMFYSA-N	400.507	5.200	30	20	HKED	
COc1cccc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	603766770	XIJCBYUOUXKSLM-QFIPXVFZSA-N	404.897	5.575	30	20	HKED	
N#CCCCOc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)c1	603972076	NAULNHWMIZFENC-UHFFFAOYSA-N	413.315	5.192	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc2ccccc21	609164808	WQSDIRZIPYAABK-OAQYLSRUSA-N	424.891	5.726	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccccc1S[C@H](C)CC#N	609431909	YPIJUZQGPRQJFW-OAHLLOKOSA-N	422.529	5.204	30	20	HKED	
CCOc1ccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1F	609506161	SOIXUOZQVOSEKY-UHFFFAOYSA-N	404.441	5.013	30	20	HKED	
N#C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1c(Cl)cccc1Cl	609589190	PKIJAWPPTXJQER-GFCCVEGCSA-N	413.688	5.995	30	20	HKED	
CS[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1	610048396	XVMUVTVUGLUBHI-HSZRJFAPSA-N	402.519	5.489	30	20	HKED	
C=C(C)COc1cc(CNc2cccc(CSC3CCOCC3)c2)ccc1OC	610911042	CXLZHSNRUXRWMJ-UHFFFAOYSA-N	413.583	5.674	30	20	HKED	
CC[C@H](c1ccccc1)c1nnc(SCc2ccc(C#N)cc2Br)o1	611492221	WKZXNUZTNFLEBM-MRXNPFEDSA-N	414.328	5.538	30	20	HKED	
N#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c(F)c1	612536572	YERGYBMCVRGEKS-INIZCTEOSA-N	401.201	5.243	30	20	HKED	
CC(C)(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	678019285	SHJZENOUEMNSBX-PHIMTYICSA-N	416.337	5.208	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1	727589664	YJAZZGNEZYXSIK-UPVQGACJSA-N	415.468	5.087	30	20	HKED	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727951180	GZAGWFOUDZYKQA-QTJGBDASSA-N	417.553	5.002	30	20	HKED	
N#C[C@@H](NC(=O)/C=C\Sc1ccccc1)c1ccc(OCc2ccccc2)cc1	729369664	JWWDUDDTDULYRP-DHOHLHFPSA-N	400.503	5.252	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1	729892445	ZLFGXLAORIZRGQ-UMHOCLNPSA-N	402.519	5.877	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1	730092202	DDSFSCXKOGVTAZ-INIZCTEOSA-N	420.296	5.335	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc2cc(F)ccc2s1	730421615	LUFXILNJAXVXBM-OAHLLOKOSA-N	414.552	5.794	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)cc(OC)c1OC	733234722	NXMKFSWYCRASJO-UHFFFAOYSA-N	404.466	5.180	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c1	733772050	XYUVKUDQSUDFGR-FQEVSTJZSA-N	404.510	5.405	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)c1	733807019	PVXYWLKJJJSPSM-VWNXMTODSA-N	417.484	5.095	30	20	HKED	
N#CCOc1ccc(CC(=O)Nc2cccc(CSCc3ccccc3)c2)cc1	734783281	HIDVGAGMJRHHMY-UHFFFAOYSA-N	402.519	5.204	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccnn2C2CCCC2)c1	734992020	ACTVGQXBYFQKAU-UHFFFAOYSA-N	406.873	5.568	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(C(C)(C)C)cc1)[n+]1cc(O)cc(Cl)c1	738012138	GCGZBMUOYSWPBA-UHFFFAOYSA-O	417.982	5.008	30	20	HKED	
C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1	741819459	LVMPSRMRWUAEAR-HNNXBMFYSA-N	421.522	5.449	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CC(=O)c3cccc(F)c3)n2)cc1	744031359	LIOOOWBFOKKNME-KXBFYZLASA-N	406.482	5.343	30	20	HKED	
CC(C)CN(C(=S)NCCSc1ccc(Cl)cc1)c1ccc(C#N)cc1	745686930	DEQMQEZOMVKIAT-UHFFFAOYSA-N	404.004	5.341	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1	746260123	BPXDCNBOXIABMP-PXDATVDWSA-N	414.480	5.093	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc2c(c1)CCC2	749102398	MRBNSZHCZYQBEM-UHFFFAOYSA-N	419.363	5.462	30	20	HKED	
Cc1nc2ccc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cc2s1	754911964	PTBZTOCTLLBXKL-UHFFFAOYSA-N	416.531	5.234	30	20	HKED	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccc(F)cc1OCC#N	760795745	HBCWKIFICYQUQC-LBPRGKRZSA-N	415.877	5.049	30	20	HKED	
C[C@@H](OC1CCCCCC1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	761109893	MKOVEGOSYGJRLJ-UKRRQHHQSA-N	404.482	5.392	30	20	HKED	
FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2csc(Cl)c2Cl)cc1	761768754	XMTMRPMXKLNSTQ-UHFFFAOYSA-N	421.281	5.086	30	20	HKED	
CC[C@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)C1CCC(C)CC1	764759811	SSVJTXWYFREZHY-NDTCATRNSA-N	411.571	5.304	30	20	HKED	
N#C[C@@H](C(=O)CC1(CSc2ccccc2)CC1)c1nc(-c2ccncc2)cs1	770840977	HGMRADMVQCNLIH-SFHVURJKSA-N	405.548	5.344	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Sc2ccncc2)cc1	772220712	JUWGBKKIDWFZNC-UHFFFAOYSA-N	400.463	5.049	30	20	HKED	
C=C(C)[C@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)c1ccc(F)c(F)c1	776397586	AXIXKGKGSPSOPR-FQEVSTJZSA-N	415.871	5.219	30	20	HKED	
COc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1NC(=O)C1CCCCC1	777698529	VOCXEFQDNLQLHA-KRWDZBQOSA-N	407.514	5.289	30	20	HKED	
COc1ccc2ccccc2c1-c1cc(COC(=O)CCc2ccc(C#N)cc2)on1	778093522	BXPFOYXAIJDLAC-UHFFFAOYSA-N	412.445	5.051	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc3cnccc3c2)c1	782178617	BQJPPTKWBQQRIX-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1F	782754218	WLWNDXAMWYFQSX-KRWDZBQOSA-N	417.484	5.276	30	20	HKED	
N#C[C@@H](C(=O)Cc1cc(F)c(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1	793128280	XZFLYGNEWIRMEK-ZDUSSCGKSA-N	406.816	5.300	30	20	HKED	
CC[C@](C)(C#N)C(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	796902783	GMCZEFKSSJNLRO-HXUWFJFHSA-N	404.388	5.111	30	20	HKED	
C#C[C@@H](NC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1)c1ccc(Cl)cc1F	806267936	PSCNQXHTCMZPLO-GOSISDBHSA-N	415.896	5.268	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl	809923806	CUHIHUZGSZAHTQ-QFBILLFUSA-N	423.413	5.085	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)cc1	810114467	AESBJNZIRVCIIM-HSZRJFAPSA-N	414.892	5.235	30	20	HKED	
O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1c(F)cc(C(F)(F)F)cc1F	811418444	JUPDMIORQOSBJA-UHFFFAOYSA-N	419.252	5.274	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1	811869776	YJNJGSHWSGZSEQ-QGZVFWFLSA-N	400.910	5.065	30	20	HKED	
C=CCC[C@H](C(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1)c1ccccc1	812662621	KJIXKCHBAMWZBV-DQEYMECFSA-N	407.554	5.107	30	20	HKED	
C=CCC(C)(C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	814129764	HOTLTFSSLOHOMC-KRWDZBQOSA-N	402.535	5.354	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3ccc(F)c([N+](=O)[O-])c3)s2)cc1	814905349	UTVYZIVJJMWQIY-UHFFFAOYSA-N	400.435	5.011	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](N[C@H](CCCC#N)c2ccccc2)c2ccccc21	815635740	ITRMDVKKUNDAEV-DNVJHFABSA-N	405.542	5.722	30	20	HKED	
Cc1c(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)sc2ccc(C#N)cc12	815657120	OVFJMIOUYKTARM-NRFANRHFSA-N	424.953	5.321	30	20	HKED	
C#CCO[C@@H](C)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	904670234	IWSLIYOYPNNYDJ-NSHDSACASA-N	423.778	5.307	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C2CCCC2)C2CC2)c1=S	915208202	AAANGKYGCKLUSH-UHFFFAOYSA-N	418.994	5.197	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(Cl)c3)n2)cc1	916975194	WBLHEWXJWCOLBQ-OAHLLOKOSA-N	417.317	5.681	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)cc1	917517783	KUHYPNMJEZYCQG-ZRDIBKRKSA-N	402.425	5.294	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1	917561614	HYRSJRKELLPEEV-DHZHZOJOSA-N	421.478	5.249	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2c(C(C)C)noc2n1	920844253	YVUGMANOAUGHGY-OAQYLSRUSA-N	410.477	5.562	30	20	HKED	
Cc1[nH]c2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2c1C	920871533	BJFAREDZFHEALI-DEOSSOPVSA-N	408.505	5.762	30	20	HKED	
C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(C)o3)cc2)CCC1	1789585127	CZGFAAWHDBYGBV-HVESIFNPSA-N	406.526	5.338	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1	1829065179	UVSVIGWHYLOMKK-WOJBJXKFSA-N	424.576	5.034	30	20	HKED	
C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)CCCCC)CC1	1831468481	PFITUFDVFKRVFU-FYYLOGMGSA-N	402.623	5.016	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cc(OC)c1O	7748192	ISMWEHOGBHLKDF-JXMROGBWSA-N	400.377	5.060	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccc(Br)cc3)o2)cc1	24725889	SDVYNAQEYLSENP-MRXNPFEDSA-N	400.301	5.035	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(C)Cc2cccc(Cl)c2Cl)c1=S	28791140	ACZFXNCYZDSNOM-UHFFFAOYSA-N	409.342	5.256	30	20	HKED	
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1	46183693	FDQMIBUYXWQWQI-UHFFFAOYSA-N	403.869	5.479	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	56866960	OWIDSDVHFGFLGC-IBGZPJMESA-N	419.500	5.259	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(C#N)cc1	60991846	BAVQPWSGHSAGLS-MWTRTKDXSA-N	405.448	5.181	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1	71803027	BIOWEKGEGNIGOX-HSZRJFAPSA-N	424.953	5.698	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc32)cc1	303349158	NDYGQVILDJQDHN-KRWDZBQOSA-N	412.518	5.672	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccoc2)n1)c1nc(-c2ccc(Cl)cc2)cs1	303375767	LGDIZYRITNHIBM-CQSZACIVSA-N	411.895	5.670	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21	303403579	RUNKVZIKBOPMFL-HTAPYJJXSA-N	405.567	5.029	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	303847263	MWCBSDNGAASBMF-CABCVRRESA-N	406.473	5.774	30	20	HKED	
FC(F)(F)C[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	436404050	CJZOLSAZLFRXEA-ZDUSSCGKSA-N	419.291	5.248	30	20	HKED	
Cc1csc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)n1	438675162	YXFIYRJEZBMQEY-FQEVSTJZSA-N	422.485	5.527	30	20	HKED	
N#Cc1ccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(Cl)c1	439458640	TZOIEETYUCFMLS-QFIPXVFZSA-N	404.876	5.232	30	20	HKED	
C=CC[C@H](CC)NC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1	439501897	OREMOXILUJMWGQ-ZDUSSCGKSA-N	407.301	5.117	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1	441528019	BAKKMTBJEICUOW-KRWDZBQOSA-N	400.507	5.433	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(C(F)(F)F)cc1	441566042	MHOXAVKCGFSAPA-FQEVSTJZSA-N	416.443	5.052	30	20	HKED	
C[C@H](c1ccco1)N(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CC1	444385135	ACCWHJBTRABOOY-MRXNPFEDSA-N	419.456	5.627	30	20	HKED	
C=CCn1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nnc1-c1cccc(OC)c1	446063299	UMXWKZNIHWWPGC-HNNXBMFYSA-N	419.510	5.043	30	20	HKED	
CC(C)c1nc(SCC(=O)Nc2ccccc2SCC#N)c2ccccc2n1	447331201	CDZVZRJNLJOMHN-UHFFFAOYSA-N	408.552	5.100	30	20	HKED	
C=CCOc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)cc1OC	463009653	LUWDKAAVCLKOIJ-QFIPXVFZSA-N	421.884	5.080	30	20	HKED	
Cc1ccc(SCCn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1C	463257563	JFWAXLDNDDHGHY-UHFFFAOYSA-N	413.340	5.045	30	20	HKED	
CC(C)CN1CC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	465154595	JQPGYWOFDFAJOL-GCJKJVERSA-N	424.976	5.095	30	20	HKED	
Cc1ccc2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2n1	465454829	VLRFRZUOKDHTPC-UHFFFAOYSA-N	409.493	5.190	30	20	HKED	
C[C@@H](CCc1cccn1C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	466131657	RKERLCQZIBAXTP-HTAPYJJXSA-N	420.944	5.477	30	20	HKED	
N#Cc1cc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)ccc1F	468632092	VQNWCGUIXVUIHO-UHFFFAOYSA-N	424.888	5.543	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)n1	470091374	GTFQMKVYAIUWBG-UHFFFAOYSA-N	423.472	5.661	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Nc3cc([C@H]4CCCO4)[nH]n3)cc2Cl)cc1	471249653	JRHHGRORZFJBNK-LJQANCHMSA-N	423.860	5.223	30	20	HKED	
CCSCc1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)no1	472520929	QBOBSNJAVOJWQR-UHFFFAOYSA-N	409.486	5.094	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@H]1c1ccccc1	472747322	GSOIBOIOHGGQNL-SFHLNBCPSA-N	407.583	6.128	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	475604697	WELCEJWAPIHLOY-ROUUACIJSA-N	416.550	5.883	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	476538742	DBURDBCACVPNSE-NZQKXSOJSA-N	403.913	5.223	30	20	HKED	
N#CC[C@H](CC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1	477022338	DWWCNOFKCRVWJZ-OAHLLOKOSA-N	406.835	5.552	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	480890239	CZIPFNVJFMGFMA-GFCCVEGCSA-N	411.458	5.497	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1	481051081	NPCALJNMQWVJKA-UHFFFAOYSA-N	414.918	5.512	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1nccc2ccccc12	483228671	JWHHAPZCHPKTOO-OAQYLSRUSA-N	407.404	5.672	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2F)n1	483250518	CSZKXBQYKVVSDN-HNNXBMFYSA-N	424.888	5.381	30	20	HKED	
N#Cc1cc(NC(=O)[C@H]2CCCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1	485724192	YEYGKPXJXVWXCI-AWEZNQCLSA-N	404.388	5.125	30	20	HKED	
CC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1	485928758	DWBBOOPNYWKACJ-UHFFFAOYSA-N	414.339	5.417	30	20	HKED	
CC(C)OCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	487066111	ZWJXWNFXYFRRRU-HSZRJFAPSA-N	418.924	6.173	30	20	HKED	
C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1C(F)(F)F	488762624	HZDRKAQKQLJRSJ-VIFPVBQESA-N	419.350	5.110	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)c1cccc(Cl)c1	489639956	HDDUBTKGRSZELI-HNNXBMFYSA-N	413.930	5.060	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2F)s1	496345175	LSWINHYSHREITD-FPOVZHCZSA-N	420.513	5.177	30	20	HKED	
CCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)[C@@H](C)c1ccc(C#N)cc1	497593993	NOOBBTTXNCEGOP-INIZCTEOSA-N	404.539	5.012	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(C(F)(F)F)c1	499555094	FPXCPUCDSOCEDF-KBPBESRZSA-N	422.472	5.874	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@@H]3c3ccccc3)s2)cc1	500196613	FXVVPWBKTIGZGI-OAQYLSRUSA-N	402.523	5.365	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cccc(OCc2cscn2)c1	500997660	MEDOZZROEKROGC-UHFFFAOYSA-N	415.474	5.034	30	20	HKED	
C[C@H](Cc1cccs1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	502990320	OBRWOAPPGVKRRB-FOIQADDNSA-N	409.942	5.810	30	20	HKED	
CCOC(=O)c1c([C@@H](C#N)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1C	505775839	FFAJQYQDNGEWAC-LJQANCHMSA-N	415.493	5.089	30	20	HKED	
CN(C)Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	511615709	XBHCPPFADCJXCK-UHFFFAOYSA-N	405.885	5.318	30	20	HKED	
CC[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(OC)c(OC)c1	512885962	VHOOFRIRZFYVCT-XMMPIXPASA-N	416.521	5.395	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(F)c(F)c2)cc1Cl	513194166	MJDNKUHWWMLQOX-GOSISDBHSA-N	411.839	5.595	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1	513740292	SSKDEDAUPXBGGN-DVECYGJZSA-N	406.526	5.226	30	20	HKED	
CCCCN(Cc1ccccc1Cl)C(=O)Nc1ccccc1SC[C@@H](C)C#N	517473560	PQLIMPBKBSBIDG-KRWDZBQOSA-N	415.990	6.426	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-c3csnn3)cc2)cc1	518538121	WLDIGEZMTOYDRJ-UHFFFAOYSA-N	416.437	5.260	30	20	HKED	
N#C[C@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)c1cccc(Cl)c1Cl	518709051	HRXZEMAIIDDRIN-HNNXBMFYSA-N	423.097	5.232	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc([N+](=O)[O-])c1	520597963	MCSIIWMVBODLEJ-HNNXBMFYSA-N	402.410	5.141	30	20	HKED	
CCOc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC	521092116	JDOIPPCQALLNCY-UHFFFAOYSA-N	402.450	5.205	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(Cc2ccccc2)n1	521541980	ULNNWBLHFVZNTC-UHFFFAOYSA-N	413.955	5.131	30	20	HKED	
C[C@H](SCc1nc(-c2ccc(Br)s2)no1)c1ccc(C#N)cc1	522840659	XXJRKLPAIZMREI-JTQLQIEISA-N	406.330	5.427	30	20	HKED	
CCN(CCc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	523487255	SCELDFUUWUDHEG-UHFFFAOYSA-N	413.521	5.428	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2Cl)c1	524119987	WGABFYPSKKAUQY-UHFFFAOYSA-N	418.880	5.392	30	20	HKED	
CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	524829864	UBFSPLBOHKLRBE-QFIPXVFZSA-N	400.482	5.751	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)c1ccncc1OC)c1ccc(C(F)(F)F)cc1	525840365	JMPMPBLPNVTGBJ-KSSFIOAISA-N	407.436	5.177	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2(c3ccccc3)CCOCC2)cc1	531790579	BHSAADHAYRHDQZ-UHFFFAOYSA-N	412.489	5.095	30	20	HKED	
C[C@@H](c1ccc(C#N)cc1)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1	533955316	GDDHHLWUENSKLU-KRWDZBQOSA-N	401.476	5.234	30	20	HKED	
N#CC1(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCSCC1	534465015	JELBIYZBHPYZDY-UHFFFAOYSA-N	406.429	5.017	30	20	HKED	
N#CCC1CCN(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1	541036242	UXGKQIGGZMHRFN-FQEVSTJZSA-N	420.944	5.288	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	541705028	XDCLMECNTDMWIN-KSSFIOAISA-N	410.930	5.377	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	542000334	POSVPCKNQZSFGM-CVEARBPZSA-N	405.523	5.270	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(C#N)cc3OC(F)F)s2)cc1	544485393	AJXVUZKJMMTQDF-AWEZNQCLSA-N	413.493	5.751	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(Cc4c[nH]c5cc(F)ccc45)no3)cc2)nc1	547095588	ZDSIMDGDKUOXRH-UHFFFAOYSA-N	411.396	5.007	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3nc(C)cs3)c(F)c2)cc1OC	548715925	KVKYSHADLXUCDI-UHFFFAOYSA-N	414.458	5.209	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1F)N[C@H](c1c(F)cccc1F)C(F)(F)F	549043058	MUYSEMFTRRKFJT-CYBMUJFWSA-N	414.252	5.130	30	20	HKED	
C=CCC(C)(C)c1noc(/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)n1	551142236	DUSYBAJCQQWGLE-PKNBQFBNSA-N	409.486	5.286	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)n1	551490564	SJWAVVVPKDXDAH-GFCCVEGCSA-N	404.561	5.245	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1	552265761	LLXDPFJUUGLOFA-GOSISDBHSA-N	400.444	5.526	30	20	HKED	
CC(C)(CNC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)(F)F	554919773	YGIUZQBFCNHDRG-SNVBAGLBSA-N	410.280	5.197	30	20	HKED	
Cc1cc(-c2cc(C(=O)NCC(C)(C)CCC#N)c3cnn(C(C)C)c3n2)c(C)s1	558000193	QEMMAMDUEBPMTL-UHFFFAOYSA-N	423.586	5.417	30	20	HKED	
C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	569054200	OEFDFMNMYSIAST-IBGZPJMESA-N	414.340	5.098	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N(C)[C@@H](C)c1ccccc1F	580978970	FBOVFYCUVQYMOM-INIZCTEOSA-N	412.534	5.102	30	20	HKED	
CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589363274	ITSQQIARGYGNER-UHFFFAOYSA-N	416.481	5.198	30	20	HKED	
CCc1ccc(OCc2nnc(SCCCC#N)n2[C@@H](C)c2ccccc2)cc1	592949564	JMVHEFQEUDHGIN-SFHVURJKSA-N	406.555	5.425	30	20	HKED	
N#Cc1cccc(COc2cccc(CNCCSCc3ccccc3C#N)c2)c1	603681187	ZNDLDBSLFPHZIB-UHFFFAOYSA-N	413.546	5.032	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cn2)cc1	603765010	SXAXXYYWCLAMHP-UHFFFAOYSA-N	416.440	5.699	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccc(Cl)c2cccnc12	603968544	AAOLZTDKIKSJHQ-UHFFFAOYSA-N	419.893	5.506	30	20	HKED	
Cc1cccc(COc2cccc(C(=O)Nc3cccc(OCCCC#N)c3)c2)c1	603972095	SNXLZMITLFCTBF-UHFFFAOYSA-N	400.478	5.509	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F	608320785	CSFHFJFXRLQQLH-UHFFFAOYSA-N	424.357	5.869	30	20	HKED	
COc1cc(C(=O)N(C)c2ccc(C#N)cc2F)cc(Cl)c1OCCC(C)C	608798827	KLGPEGMJPLUJSR-UHFFFAOYSA-N	404.869	5.061	30	20	HKED	
Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1Br	609053360	QLIKIRPIGDHTLI-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208769	DMWZACWULMOQJJ-OAQYLSRUSA-N	403.507	5.953	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1	609378135	SGZFOMWQHWHQEY-OAHLLOKOSA-N	405.479	5.036	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2)c1	609434425	IJIQTBADYMOZBN-VWLOTQADSA-N	420.472	5.657	30	20	HKED	
CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)oc12	609435307	FNRVICCRDHLKLG-HZPDHXFCSA-N	423.538	6.108	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cs1	609460609	WVOVVOZACSOYQX-OAHLLOKOSA-N	418.305	5.120	30	20	HKED	
N#Cc1cc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1OCC(F)(F)F	609553417	XYQSKFVWCUIHPA-CQSZACIVSA-N	423.822	5.174	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1Br	609593605	ZAWHHUJRARICQT-CPUCHLNUSA-N	424.125	5.240	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCCCNc2ccccn2)c1	609731592	DXEZKDKPEYHKMT-UHFFFAOYSA-N	420.900	5.021	30	20	HKED	
CC(C)c1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1cccc(F)c1	609786423	IUZJBNQGQCIVNP-HNNXBMFYSA-N	423.517	5.176	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1F	610009794	QCHVPPGLCKJWJN-IFXJQAMLSA-N	420.550	6.040	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@H](C)c3cccc(C#N)c3)cc(-c3cccs3)nc21	610361405	CQZCUAVHQKIHLI-OAHLLOKOSA-N	415.522	5.103	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CCN(c3cccs3)CC2)cc1	610685032	FUQZQYAYDNVMTO-UHFFFAOYSA-N	417.534	5.119	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1-c1ccccc1	617133798	TWCAWHPUTFLXQK-UHFFFAOYSA-N	423.476	5.442	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)N[C@H]1CCc2cc(C#N)ccc21	618852689	WYMCWGVECXZEJI-QFIPXVFZSA-N	417.534	5.028	30	20	HKED	
CCN(Cc1cccc(Br)c1)C(=S)Nc1ccc(C#N)c(Cl)c1	726484861	JFSOPIRWXZZERD-UHFFFAOYSA-N	408.752	5.193	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)N[C@H](C)c1ccccc1	727978915	OLVFJHJKGACJSY-GOSISDBHSA-N	401.535	5.493	30	20	HKED	
CC(=O)c1c(C)[nH]c(-c2csc(=Nc3ccccc3C#N)n2CCCCC#N)c1C	728776817	VHFZJACKSWNBRX-UHFFFAOYSA-N	417.538	5.162	30	20	HKED	
COc1ccc(N=C2NN=C(c3c[nH]c4ccccc34)[C@@H](c3ccccc3)S2)cn1	729674224	JGWKIXBJZJSABO-JOCHJYFZSA-N	413.506	5.041	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2o1	730072615	YZWAUSHSJJOLDO-KSFYIVLOSA-N	420.440	5.816	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)nc2ccccc21	730394845	NSPNZHCQGIVGSU-CVDCTZTESA-N	415.493	5.422	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2cc(F)ccc2s1	730420745	FJBFKXBAVNLEEE-AWEZNQCLSA-N	409.511	5.634	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCCCC2)cc1	733083614	NQCHLVJSOHMBGT-FMIVXFBMSA-N	419.506	5.605	30	20	HKED	
COCCOc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1	733621740	NUDKSCLCTLYHGL-HSZRJFAPSA-N	415.493	5.320	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2	734214238	WZPBWCFMPSULIV-UHFFFAOYSA-N	421.541	5.200	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)OCc3cc(C#N)ccc3F)ccc21	734622564	NXLFSBYADGYNQY-UHFFFAOYSA-N	405.351	5.004	30	20	HKED	
C=CC[C@@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1	734654734	XJEWUZXPXZUZSH-XMMPIXPASA-N	423.520	5.051	30	20	HKED	
CCN(CC)c1ccc(C=Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c(O)c1	734752676	JOJGEVVWLGXADF-PMERELPUSA-N	420.578	5.438	30	20	HKED	
O=C1/C(=C\c2nccs2)CCc2nc(-c3ccccc3Br)sc21	735232353	NBPJWZAOJDKPOG-KTKRTIGZSA-N	403.326	5.242	30	20	HKED	
C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2csc(-c3ccoc3)n2)c1	737541419	DBWGQVJHLQZABS-UHFFFAOYSA-N	404.516	5.222	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	739162536	YROXFJJSMJXQDL-CXAGYDPISA-N	415.440	5.279	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccc(OCC(F)(F)F)cc3)c2)s1	740011340	NKUNRRDCEVVLKI-UHFFFAOYSA-N	402.441	5.518	30	20	HKED	
Fc1ccc(CN(CC(F)(F)F)C(=S)Nc2cccc(C(F)(F)F)c2)cc1	741867226	MMAKSAJJGFSTJH-UHFFFAOYSA-N	410.358	5.606	30	20	HKED	
Cc1ncsc1/C=C1/CN([C@@H]2CCCC[C@H]2C)C/C(=C/c2scnc2C)C1=O	742435051	RCMSFEIKKVBEBE-PQYXUNEQSA-N	413.612	5.147	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)o1	743280639	SWDFGLRRQMNLLZ-UNOMPAQXSA-N	404.472	5.349	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1	743464150	AXRYIXSUSRTSJH-QGZVFWFLSA-N	404.539	5.174	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccccc1OCc1cccnc1	745626424	PBOXQDBNVXINLR-PFONDFGASA-N	409.489	5.359	30	20	HKED	
C[C@H](CCOc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	745947747	LLUXOIVBCNIBHP-CZUORRHYSA-N	418.440	5.597	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c(Cl)c1	749045973	ROKXFLFYEYDPEH-IBGZPJMESA-N	413.905	5.462	30	20	HKED	
COc1cccc(/C(C)=C/C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	751831782	ZFUCKXMSCLIRCV-RCLKMUNOSA-N	416.424	5.603	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccccc3)s2)ccc1OC	756703353	BSHCXWXTWFLWEP-FXAWDEMLSA-N	406.551	5.955	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	760801232	LGMKLNXHHJMKIO-UHFFFAOYSA-N	415.399	5.335	30	20	HKED	
Oc1ccc2c(n1)CCCC2=NNc1c(Cl)cc(Br)cc1Cl	764699494	RQIBWFYJJAHDQA-UHFFFAOYSA-N	401.091	5.009	30	20	HKED	
C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1	765101380	XRYAGLXWWIPBAK-VQTJNVASSA-N	416.521	5.093	30	20	HKED	
Cc1cc2c(cc1C)[C@H](C(=O)[C@@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CO2	770847642	FUKKEJBITBBEFD-HUUCEWRRSA-N	410.445	5.058	30	20	HKED	
C#CCCCCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1OC	773761599	HMIUCCIFCUBNGR-UHFFFAOYSA-N	401.462	5.200	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2cc3cccc(Cl)c3o2)c1C#N	782227048	GCVBLZDHFCKZQS-UHFFFAOYSA-N	408.870	5.118	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1	789336258	NTUACIUGPRCXFR-OAQYLSRUSA-N	400.478	5.253	30	20	HKED	
O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	789643610	CINQGIZIEJJLKT-PRHODGIISA-N	424.259	5.239	30	20	HKED	
N#CC[C@H](CC(=O)O[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1)c1ccccc1	795983850	WDKIPHCKNUQMDZ-VWNXMTODSA-N	423.472	5.457	30	20	HKED	
COc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1OCc1ccc2ccccc2n1	799330644	HWVWWEIANAQWLK-UHFFFAOYSA-N	423.472	5.255	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	799691087	DAHGXDXDGHQECF-UHFFFAOYSA-N	404.228	5.282	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCC[C@@H]4C(C)(C)C#N)c23)cc1	814761377	LGLADMRMXKHEPL-KRWDZBQOSA-N	405.527	5.485	30	20	HKED	
CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1sc2nc(C)nc(C)c2c1C	863951882	VWQPWHHHDXRQJA-UHFFFAOYSA-N	413.856	5.520	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COCc2nc3ccccc3s2)cc1	915088109	ZKRNGFHDOYKPOS-HXUWFJFHSA-N	413.502	5.107	30	20	HKED	
Cc1nc2sc3c(c2c(=O)n1N=Cc1csc(-c2ccccc2)n1)CCCCC3	916273073	RMZVLHHVMNXPSR-UHFFFAOYSA-N	420.563	5.041	30	20	HKED	
Cc1cc(/C=C\C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c(C)n1C1CCCCC1	916843441	HRACDPSEGXRCPV-DZFTYQQFSA-N	400.526	5.387	30	20	HKED	
COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)c1ccc(C#N)cc1	916879320	QRSSGUIOBVXJEZ-UHFFFAOYSA-N	422.440	5.192	30	20	HKED	
COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1Cl	916938006	KBMLPQADPNCYJU-VTSXBNNFSA-N	410.901	5.007	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995714	GJTVZPKPMXTJOC-JZLODUJNSA-N	424.312	5.878	30	20	HKED	
Cc1cccc(CSCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917044901	VOKCTDIZSKRDDM-OAHLLOKOSA-N	420.481	5.733	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccccc2SCC#N)cc1F	919894939	QPJSOGZPDTXQLD-UHFFFAOYSA-N	422.481	5.803	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(Cl)nc1	919915408	HTTCXSYZROLZAG-UHFFFAOYSA-N	406.873	5.371	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)n2)cc1	920142589	QUUXZYHIGOKOAH-OWCLPIDISA-N	403.429	5.227	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2c(C)nn(-c3cccc(Cl)c3)c2Cl)c1C	920927671	HFJYRNDZSWHJMC-KTKRTIGZSA-N	403.313	5.217	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]1	1815336101	JOIYOKSOEAKUNX-INIZCTEOSA-N	424.536	5.076	30	20	HKED	
C=CCn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)nc2ccccc21	26099602	FDYWMEDVCMNHAU-UHFFFAOYSA-N	420.519	5.073	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161783	STZKSBXXJLGXJV-UHFFFAOYSA-N	411.505	5.552	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccccc3n2C(F)F)c1C	53649028	BWCJARZRSZXIDE-UHFFFAOYSA-N	414.481	5.087	30	20	HKED	
C=CCN(C(=O)CC[C@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	71880577	VCRICBYKMMPMBZ-CQSZACIVSA-N	411.354	5.595	30	20	HKED	
C=C(C)COc1cc(CN[C@H](Cc2ccc(C)cc2)c2ccccn2)ccc1OC	237353164	RAEDSJOIOZTYEG-XMMPIXPASA-N	402.538	5.427	30	20	HKED	
Cc1ccc([C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	303781895	SQQOSUXKFSMGIH-LJQANCHMSA-N	400.547	5.693	30	20	HKED	
CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1	430616204	FRBVPQNZVMPNCJ-HNNXBMFYSA-N	423.563	5.269	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1Cl	430689957	BMJZRZDUMDTSBW-HXUWFJFHSA-N	414.848	5.354	30	20	HKED	
COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1	430714990	NUNQZMRCFHGSBN-MRXNPFEDSA-N	414.958	5.059	30	20	HKED	
N#CCCC[C@H](NCc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1	433017926	BSDWWYHVIAUIHM-NRFANRHFSA-N	421.342	5.431	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCc2sc(Cl)cc21	433124921	GXSASWAKNINCPD-GXTWGEPZSA-N	405.976	5.852	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)N3C[C@@H](C#N)[C@H](c4ccccc4)C3)cc2)o1	433174790	LWKTVGIGKKADQJ-CTNGQTDRSA-N	400.482	5.236	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)cc1	437483837	SOEBZZIVQHZOHN-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccncc1	437955275	OHPGRKIXZFDUKI-NRFANRHFSA-N	420.900	5.458	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)n1	438115804	IAFGRQVMTGEVQX-NHCUHLMSSA-N	402.523	5.422	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)c1ccccc1	438841662	MEAXADKNAWKKGO-OAQYLSRUSA-N	413.443	5.549	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)c(F)c1	439108526	FEABSLUYVNHDQJ-UHFFFAOYSA-N	415.236	5.300	30	20	HKED	
N#CCC[C@H](NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccccc1	440253617	IJRFWHSTRGRSQB-VWLOTQADSA-N	410.521	5.468	30	20	HKED	
CC(C)Oc1cc(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)ccn1	443918936	IEIFYGSFUZIXPE-QGZVFWFLSA-N	424.570	5.460	30	20	HKED	
CC(C)Sc1c(Cl)cccc1NCC(=O)Nc1ccccc1SCC#N	462226792	JXTBJKVDNOVDCP-UHFFFAOYSA-N	405.976	5.507	30	20	HKED	
C=CCCOCCCCC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	464225351	AYILXWDCNXPIPF-GOSISDBHSA-N	402.535	5.206	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c([N+](=O)[O-])cc1F	464478168	DTSIJQYDUWGLON-HNNXBMFYSA-N	405.429	5.132	30	20	HKED	
N#C[C@@H](C(=O)c1c[nH]nc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	464514050	BQHNWCPQYGBNRQ-INIZCTEOSA-N	404.882	5.344	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(=Cc4ccccc4F)CC3)cc2)nc1	465079076	HJTHMVYPOVRZDZ-UHFFFAOYSA-N	413.452	5.204	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCc3c(O)cccc32)cc1Cl	466101858	QXLFKWIJDIIPIL-UNMCSNQZSA-N	417.896	5.510	30	20	HKED	
C=CCC[C@@H](NCc1cc(-c2cnn(C)c2C)no1)c1ccc(C(F)(F)F)cc1	467457501	PIMGDYYYWMVCME-LJQANCHMSA-N	404.436	5.199	30	20	HKED	
CCCn1nc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C	470342069	IZUSZNSMWNCQJN-HXUWFJFHSA-N	406.917	5.471	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3nccnc3cc2F)cc1Cl	470832527	QTUXWYKYMRZHHZ-SFHVURJKSA-N	416.843	5.330	30	20	HKED	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1sc(-c2ccccc2)cc1C#N	470907501	DYZQXUCRUQWKSK-UHFFFAOYSA-N	420.444	5.311	30	20	HKED	
CCN(C(=O)c1cc2sc(N3CCCC3)nc2s1)[C@@H](C)c1ccc(C#N)cc1	475113084	FSCZCOPQJAGPMN-AWEZNQCLSA-N	410.568	5.053	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(F)(F)F)c1	477500652	QDSBVSGGGUPJSX-UHFFFAOYSA-N	405.420	5.189	30	20	HKED	
Cc1cc(-c2noc(CNc3cccc(OCc4cccc(C#N)c4)c3)n2)ccc1F	479943080	UVXMFMZKBKFZIH-UHFFFAOYSA-N	414.440	5.247	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F	482403599	IPWDWHOXNVZWGJ-LJQANCHMSA-N	401.388	5.162	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(Cl)ccc2OC(F)F)cc1	482537568	NVQSXUCSMNNISI-UHFFFAOYSA-N	418.749	5.018	30	20	HKED	
Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	482590823	YFEHXVCVTNFJPU-UHFFFAOYSA-N	403.457	5.112	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc1	482960893	IJCKIHMNLZMZSX-AVRDEDQJSA-N	423.513	5.074	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	483218667	HTQDLWKVUIQURH-HONMWMINSA-N	400.338	5.192	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1	483326589	WHNPAEMLSTZXFQ-FQEVSTJZSA-N	416.443	5.176	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1sccc1C#N	484683134	QTCUOPRAQUFWSS-UHFFFAOYSA-N	422.535	5.210	30	20	HKED	
CCc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1C	485345165	SHLNNOXWZSXYHB-GBXCKJPGSA-N	413.525	5.047	30	20	HKED	
Cc1cc(NC(=O)c2oc3ccc(Br)cc3c2C)c(C#N)cc1N(C)C	485513137	FEKXKWWLJZTJDM-UHFFFAOYSA-N	412.287	5.002	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1	485755353	BXRLQHQTDNNJOQ-UHFFFAOYSA-N	418.518	5.235	30	20	HKED	
CSc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1[N+](=O)[O-]	486238898	FFOIBJDNNFOLSR-UHFFFAOYSA-N	405.435	5.233	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccccc1	487188527	TYVCTKXQWGOAOS-SFHVURJKSA-N	413.308	5.344	30	20	HKED	
Cc1nc(NC(=O)c2ccc(C#N)s2)sc1-c1nc2ccccc2n1C(F)F	487210569	UQBPXPHHGQGAKU-UHFFFAOYSA-N	415.450	5.049	30	20	HKED	
Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1	487541079	LERJEBQDRQCJNA-QHCPKHFHSA-N	403.482	5.035	30	20	HKED	
CCn1c(SCc2cc(C#N)ccc2Br)nnc1-c1ccc(F)cc1	491580791	FRQGPVUCTPESFR-UHFFFAOYSA-N	417.307	5.031	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1	494298614	PICIMKMSYZRZFL-UHFFFAOYSA-N	416.319	5.038	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12	496740978	WKVCURMYWMHADZ-UHFFFAOYSA-N	421.522	5.340	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1OCC(F)F	497535250	DBHIXQHETGTPAP-SJLPKXTDSA-N	419.859	5.288	30	20	HKED	
CCCN1C(=O)CCc2cc(NC(=O)c3sc4ccc(C#N)cc4c3C)ccc21	497714563	UOCKGUTWKKNXRR-UHFFFAOYSA-N	403.507	5.023	30	20	HKED	
COc1ccc(-c2nc(C(=O)N(Cc3ccco3)c3ccccc3C#N)cs2)cc1	501019946	KQVPTJYZHYNRQC-UHFFFAOYSA-N	415.474	5.130	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1	504748864	DPRVNBOQINDOAX-MOPGFXCFSA-N	415.320	5.039	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1	506743396	LTHBLWXRXDZDTN-OAHLLOKOSA-N	405.498	5.038	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NS(=O)(=O)Cc2cccc(C#N)c2)c2cccs2)cc1	507383854	RUNQHAOQCDSJAO-SBUREZEXSA-N	424.591	5.342	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1	508275623	QFRCDSUJOFEQMO-IBGZPJMESA-N	403.438	5.151	30	20	HKED	
Cc1ccc(-c2cc(-c3nnc(N4CCC(C)(C#N)CC4)n3C)c3ccccc3n2)cc1	508578112	ROTPADROZNEWHL-UHFFFAOYSA-N	422.536	5.136	30	20	HKED	
N#Cc1cc(N(C#N)Cc2csc(-c3ccc(Br)cc3)n2)ccc1F	509064310	IRYFDEIZRPLCMJ-UHFFFAOYSA-N	413.275	5.071	30	20	HKED	
CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H](C)c1ccc(C#N)cc1	509571792	MRWAQUSCYFZVCX-LJQANCHMSA-N	409.489	5.232	30	20	HKED	
Cn1ccnc1COc1ccc(CSc2nc(-c3ccccc3)ccc2C#N)cc1	510182102	RCBXXYJVHCGJOG-UHFFFAOYSA-N	412.518	5.225	30	20	HKED	
CCCCN(C)CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1	510666377	NKPNLWWOOARANR-UHFFFAOYSA-N	420.557	5.326	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)c1	511488435	NRMUPEUSVVCUOK-UHFFFAOYSA-N	411.889	5.528	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H](C)c2c(C)noc2C)cc1	513822538	DTGWLGPENWOFQN-AWEZNQCLSA-N	405.454	5.096	30	20	HKED	
N#Cc1cccc(C2(NC(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)CC2)c1	514058660	ZVWHRVSROTXXBQ-UHFFFAOYSA-N	401.293	5.024	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1	515778863	CESKCLYCHQWMQS-HXUWFJFHSA-N	412.331	5.004	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CSc2nccn2C)c1	517521992	KOIFPZLHFYWTOQ-MRXNPFEDSA-N	422.579	5.359	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1	518549001	SSRCRFHISRQJLG-QHCPKHFHSA-N	415.468	5.642	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCOc1cccc(Cl)c1Cl	518740395	ZUDDGXDSGRLLFS-ZDUSSCGKSA-N	409.338	5.795	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1	518753468	OSAHBUSTRNCFES-HKUYNNGSSA-N	412.559	5.023	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1F	520837207	MTSMYKABFFKNJG-CYBMUJFWSA-N	410.436	5.983	30	20	HKED	
CC(C)c1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cnn1-c1ccccn1	521497350	GWXGKNXMNXTUBX-UHFFFAOYSA-N	423.476	5.307	30	20	HKED	
CCCN1CCC(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	521744177	POFOPYBQMJSLLA-JOCHJYFZSA-N	424.976	5.239	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c2cnn(C(C)C)c2n1	523966508	XPWOFDWCQXAVRP-NSYGIPOTSA-N	415.541	5.190	30	20	HKED	
C=CCn1c(S[C@H](CC)c2ccc(F)cc2F)nnc1-c1ccccc1OC	524106102	WWTZDUCVPWDGJC-LJQANCHMSA-N	401.482	5.661	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	524146845	GEWAFQYJPPGIMK-JOCHJYFZSA-N	419.912	6.012	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(C#N)cc1Cl	532856439	HFOYONUXTGOAPJ-CYBMUJFWSA-N	401.944	5.194	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)s2)cc1	533257035	AKDTZTURXYEGNG-UHFFFAOYSA-N	407.495	5.038	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2ccccc2F)CC1	533299866	ODCICKDBFNRHSK-KRWDZBQOSA-N	411.546	5.038	30	20	HKED	
CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	534904685	CWBGXMRTPQPWMC-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
C=CC1CCN(Cc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)CC1	535212764	WIMPKIKOPCNJEH-UHFFFAOYSA-N	403.979	5.496	30	20	HKED	
C=CCC[C@@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1	536841940	XPVCNGRNYRNRMM-HXUWFJFHSA-N	410.524	5.730	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1	540273160	BLCYBKHNBPRFPH-UHFFFAOYSA-N	411.571	5.473	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)cc1	540310102	OEZPMDGZHJBKKB-UHFFFAOYSA-N	411.505	5.053	30	20	HKED	
N#Cc1ccc(OCc2ccc(-c3nc(C(F)(F)c4ccc(F)cc4)no3)o2)cc1	546373484	KSSMNXFHUAMDAE-UHFFFAOYSA-N	411.339	5.059	30	20	HKED	
C=CCOc1ccc(CN[C@H](c2cccc(Br)c2)C2CCOCC2)cc1	552088398	JYLQADRXZUOSGA-QFIPXVFZSA-N	416.359	5.271	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC=C(c3ccco3)C2)cc1F	554481150	KVVRTXINXYFRFL-UHFFFAOYSA-N	403.413	5.404	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c(C)c2c1	555670696	FOPHMFITRRAFKM-ZDUSSCGKSA-N	420.534	5.573	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCC(C)(C)CCC#N)cc1	558331068	VVVLMZZYAMGKBU-UHFFFAOYSA-N	412.921	5.068	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCc4sc(Cl)cc43)cc2)ccn1	558511401	NXHHGIDZEMCUFS-QGZVFWFLSA-N	410.886	5.269	30	20	HKED	
CC(C)(C)N1CC[C@H](NCCCC2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	558894371	IOTXRTKFGAXWCN-LEWJYISDSA-N	421.988	5.083	30	20	HKED	
CN(C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1	565356400	JGVACSPYHRTCFG-ISTVAULSSA-N	418.328	5.331	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4ncoc4-c4cccc(C(F)(F)F)c4)no3)CC2)cc1	569968392	XSRKEZOKWJRRIA-UHFFFAOYSA-N	422.366	5.362	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1	574313702	PDJPYLYMXJKAFE-UHFFFAOYSA-N	411.571	5.189	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	575911708	RSUJGMDIQKYCNJ-QUCCMNQESA-N	412.493	5.546	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1	578697231	GGKWIZULSKIGDM-HOTGVXAUSA-N	406.327	5.795	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(C(F)F)ccc2Cl)c1	581750239	AYTMIXLZPPELJG-UHFFFAOYSA-N	412.823	5.981	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)c3ccccc3n2)cc1NC(=O)Nc1ccccc1	584078185	VNXJJJFRDAVCBM-UHFFFAOYSA-N	421.460	5.311	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cnc1C(F)(F)F	584363892	DNRAPKIETMMQPF-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
COc1cc(CN2C[C@@H](C)C[C@H]2c2cccnc2)ccc1OCc1cccc(C#N)c1	588204728	BQCFOBCWXAFGHF-CYFREDJKSA-N	413.521	5.124	30	20	HKED	
C=CCn1c(SCc2nc3cc(F)ccc3n2CC)nnc1-c1ccc(F)cc1	589273205	JOWVVWDZYIYZGT-UHFFFAOYSA-N	411.481	5.071	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1	603797127	CAFLEBVVUSSWBY-QGZVFWFLSA-N	405.498	5.386	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC	604027107	FTGXYJAPADCPIA-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
C=CCN(Cc1csc([C@@H](C)OCC)n1)Cc1cc(Br)ccc1F	605708949	SGWIYHGYRQOHPM-CYBMUJFWSA-N	413.356	5.330	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1	607699195	QMJJCUZDZHFJCI-XOBRGWDASA-N	423.406	5.012	30	20	HKED	
Cc1c(Br)cccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	608872710	ZDLSBDRJWWWJEG-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)o2)cc1	609054486	QFOKBQXCPKRYOV-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F	609080218	DPSBNPKAKCMNLO-NSHDSACASA-N	413.346	5.403	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc2ccccc21	609163602	KZJNKVFDWSOWEK-UHFFFAOYSA-N	416.868	5.045	30	20	HKED	
Cc1nc2ccccc2nc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N	609371428	KCDPPUOAECNQMO-AWEZNQCLSA-N	408.552	5.063	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H](C)c1cccnc1	609683327	OOJDDJOILJQESV-MRXNPFEDSA-N	420.900	6.014	30	20	HKED	
CCOC(=O)CCc1ccc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	610095089	GNJXORZEOWUTNB-INIZCTEOSA-N	411.527	5.078	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CSc4ccc(C#N)cc4F)nc(O)c23)cc1	610165700	DWKSAYHMDRDAHN-UHFFFAOYSA-N	421.522	5.984	30	20	HKED	
CCCCCOc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1OC	610348056	VFDPPMKYNJMCCF-QZTJIDSGSA-N	409.530	5.257	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cn2)c1	610753716	BHFYHFWNZRSREZ-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1C	613290278	AUMWFRLKEQYDFV-QHCPKHFHSA-N	404.469	5.573	30	20	HKED	
CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cn1	613394116	DMJLLJTZAXIAOK-FBXSJCODSA-N	408.571	5.052	30	20	HKED	
Cc1cc(C(=O)CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(C)s1	642322405	OJRORKPLWCUXCO-UHFFFAOYSA-N	405.479	5.026	30	20	HKED	
O=C(c1cccc(C(F)(F)F)c1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	674304846	YCVNOIQQXANBQM-YUMQZZPRSA-N	411.239	5.047	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)OCc2nc(-c3ccsc3)oc2C)cc1OC	726804461	ZKRVDLQEKNHOJH-VURMDHGXSA-N	411.479	5.042	30	20	HKED	
CC(C)[C@H](Sc1ccccc1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12	727211558	CNYGDHJTULNPRA-QHCPKHFHSA-N	420.534	5.098	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	727628576	NZZLHCZMLIWSEH-KRWDZBQOSA-N	416.424	5.518	30	20	HKED	
COc1cc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)ccc1OCC#N	727685229	DVMNLWQIKYQNBH-VBKFSLOCSA-N	420.465	5.073	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1Cl	728063157	XVNISMIJOKYACB-MRXNPFEDSA-N	405.885	5.230	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc2cc(F)ccc2s1	730422491	SGPUCFUEGSLDRW-RBVVKQATSA-N	424.806	5.997	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl	731061539	DQGGVHLWPWJECE-LBPRGKRZSA-N	423.321	5.041	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCOc3cccc(C#N)c3)n2)cc1	732496153	OQQZCPVXHVOUBF-OAQYLSRUSA-N	415.518	5.416	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccc(Cl)cc1Cl	735320513	VUWRPKIQSJKUCS-UHFFFAOYSA-N	415.729	5.421	30	20	HKED	
CC(=NNc1ccnc2cc(Cl)ccc12)c1cnn(-c2ccc(C#N)cc2)c1C	741811298	RFKXAONOKPQKES-UHFFFAOYSA-N	400.873	5.090	30	20	HKED	
Cc1cccc([C@H]2CCCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)c1C	744418588	AHSCCIPLMKFNTE-FYYLOGMGSA-N	410.521	5.068	30	20	HKED	
Cc1ccc(-c2noc([C@@H](C)ON=Cc3ccccc3Br)n2)cc1F	744443271	JFZNGMANERHDML-GFCCVEGCSA-N	404.239	5.058	30	20	HKED	
CC(C)CC1(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCC1	756580402	ZWLNRQCJGHYIEO-QGZVFWFLSA-N	402.560	5.027	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CCO2)cc1	757522560	VZZMGFHHNCXKPS-XZOQPEGZSA-N	414.461	5.131	30	20	HKED	
CC(C)Oc1ccccc1C=NO[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	760415693	AXDLJVJRGDJUJE-ZDUSSCGKSA-N	420.296	5.942	30	20	HKED	
CC[C@@H]1CCCC[C@H]1OCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	766851012	AXFHPOQKXYIVKW-BIENJYKASA-N	404.482	5.250	30	20	HKED	
N#CC(CCN1CCC[C@@H]1C[C@H](O)c1ccco1)(c1ccccc1)c1ccccc1	769726782	CFSXNLNIQYWBIB-RPWUZVMVSA-N	400.522	5.067	30	20	HKED	
Cc1ccc(N2CCOC2=O)cc1NCc1cccc(OCc2cccc(C#N)c2)c1	770604790	ZXFGJUGDQVFBFF-UHFFFAOYSA-N	413.477	5.014	30	20	HKED	
O=C(/C=C\c1ccc2ccc(Br)cc2n1)c1c(Cl)nc2sccn12	771525715	SFDWDHKPSHYALU-WAYWQWQTSA-N	418.703	5.256	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1	772983555	KVMLYPVFUILOAF-PZJWPPBQSA-N	421.541	5.797	30	20	HKED	
Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	775226655	IBQJFWHFVURUQA-AWEZNQCLSA-N	419.909	5.253	30	20	HKED	
C=CC[C@@H](C(=O)OCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1	778658456	RMIDTPLUMNXQHH-GOSISDBHSA-N	416.502	5.467	30	20	HKED	
COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	788080276	BPKCFDJMTCNFTD-MLGOLLRUSA-N	412.898	5.044	30	20	HKED	
CCc1cccc(Cl)c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	788715119	RYCVDLTWIYPNJQ-UHFFFAOYSA-N	413.930	5.149	30	20	HKED	
COc1ccc2c(c1)CCCN2C(=O)c1ccccc1SCc1ccc(C#N)cc1	791033201	XXANXHQAHZITRP-UHFFFAOYSA-N	414.530	5.452	30	20	HKED	
COc1ccc(Oc2ccc(/C=C\C(=O)c3ccc(C(=O)N(C)C)cc3)cc2)cc1	792926115	VPZXOPOPZMZLGE-FMQZQXMHSA-N	401.462	5.085	30	20	HKED	
C=CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1ccncc1	797460024	MDFGDYOQMVCLTK-RBUKOAKNSA-N	418.310	5.147	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(CCC)cc1)[n+]1ccc2c(c1)CCCC2	797796254	UCVJAMGEQNBODY-UHFFFAOYSA-O	407.603	5.182	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl	800156646	TZHNQYSGFTYERI-UHFFFAOYSA-N	414.336	5.918	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	802043406	ZTPFKLFESPBMJO-MBSDFSHPSA-N	418.537	5.319	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C/C(=O)c2c(F)cccc2Cl)cc1	809159352	NSYBKBZXPSIDMH-RMKNXTFCSA-N	400.789	5.245	30	20	HKED	
C#Cc1ccccc1CC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	810647379	LGLNZTYPDZNVFI-UHFFFAOYSA-N	413.864	5.238	30	20	HKED	
N#Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(/C=C3\Cc4ccc(C#N)cc4C3=O)c1)C2	811693546	JCBBVUDPIHTUJK-NFXRTZMGSA-N	412.448	5.075	30	20	HKED	
C=CCn1c(-c2cccc(C)c2)nn(CN2CC(C)(C)[C@H]2c2ccncc2)c1=S	814230113	JRGHEFZCFFQTKZ-HXUWFJFHSA-N	405.571	5.011	30	20	HKED	
C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	815010073	GVGIMEDXXACUDA-JPYJTQIMSA-N	406.489	5.103	30	20	HKED	
CSc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-]	915088605	SWYLWYZZSIEINM-IBGZPJMESA-N	403.463	5.224	30	20	HKED	
COc1ccc(-c2nc(/C=C\C(=O)c3sccc3Br)cs2)cc1	915112550	DCCYKLXTFJWLGX-DAXSKMNVSA-N	406.326	5.539	30	20	HKED	
O=C(O)Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	915991178	XYIPWCZFPDFELQ-MLPAPPSSSA-N	419.864	5.116	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2ccc(Cl)s2)c1=S	916567673	GKBWHVDAFDWKAH-UHFFFAOYSA-N	408.955	5.211	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3cccs3)nc2C)cc1	916954102	FTZMQAXYELWSFP-GUYCJALGSA-N	423.563	5.655	30	20	HKED	
N#C[C@H](C(=O)COc1ccc(F)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	916976982	YWJDVDYAKWSAKD-CQSZACIVSA-N	421.280	5.511	30	20	HKED	
CCCCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1	917560439	YOCMRJDPYQRHDT-SSZFMOIBSA-N	418.562	6.375	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	918169780	IMRQKYDXTJROGW-AJHHTPGJSA-N	406.339	5.074	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](c3ccccc3)C(C)C)CC2)C1	1824234880	BFWJSKINJBELNA-JWQCQUIFSA-N	422.613	5.012	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1c(C)cccc1C	11153752	IYEFVGKVYWICJM-UHFFFAOYSA-O	423.627	5.883	30	20	HKED	
Cc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCCCCC4)cs3)s2)o1	31272633	LANOUTNIUCXOOC-UHFFFAOYSA-N	416.572	5.489	30	20	HKED	
C=CCNc1nnc(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)s1	32321082	XBYFFYDNICVHHW-CYBMUJFWSA-N	417.387	5.198	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc1OC	53617119	DTNAARDBCUTYDK-UHFFFAOYSA-N	416.477	5.073	30	20	HKED	
C=CCn1c(C)nnc1SCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	61126778	JPRNKMTVIFUZOY-UHFFFAOYSA-N	421.957	5.571	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1	61261340	DJLDIDWWZGTWSO-UHFFFAOYSA-N	422.916	5.431	30	20	HKED	
CC(C)Cc1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1	63596589	GJAKPVWPNZDVCJ-UHFFFAOYSA-N	405.523	5.239	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)c(O)c(OC)c3)c12	207370796	BLRABFQFMVBFLL-KTKRTIGZSA-N	421.884	5.047	30	20	HKED	
N#CCCCOc1cccc(CNc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1	237890111	ZPRRCLOBQREEMI-UHFFFAOYSA-N	414.431	5.245	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2)c1	303293019	BLDPJRCQBOHWJL-XMMPIXPASA-N	414.461	5.161	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c3nc(C4CC4)no3)n2)o1	303609086	OJQDMQCRPUYYNX-JTQLQIEISA-N	420.416	5.654	30	20	HKED	
C=CCN(C(=O)c1ccc(OCCCOC)cc1)c1nc(-c2ccccc2)cs1	427487325	LMORYSDFTXEMAL-UHFFFAOYSA-N	408.523	5.058	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1ccc(C(F)(F)F)cc1	429353755	AVIBPPQNSBUVOQ-CZUORRHYSA-N	424.467	5.454	30	20	HKED	
N#C[C@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	429683154	QCUQWDCWLUYRLF-MRXNPFEDSA-N	407.857	5.641	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1	429950695	XLKBFBOLJYOOAB-UHFFFAOYSA-N	417.321	5.106	30	20	HKED	
CCn1nc(C)c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C	437953435	KDZWMAUNXDMRIL-UHFFFAOYSA-N	423.904	5.268	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NC2CCC3(CCOCC3)CC2)cc1	438511587	GNSDABJHRSXZIQ-UHFFFAOYSA-N	406.551	5.179	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1	438637950	VMURQYXDXVBGRU-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cn1	439309221	DSUKUDRFLJPVBZ-FQEVSTJZSA-N	416.481	5.358	30	20	HKED	
CCCc1c(NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)cnn1-c1cccc(C#N)c1	440093787	HVFCQFMZLOWMGQ-QHCPKHFHSA-N	416.525	5.191	30	20	HKED	
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12	444229251	VUQWDZHUEDOOKK-KSFYIVLOSA-N	409.917	5.104	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1	460411502	JOGAABJLNOXVNO-UHFFFAOYSA-N	420.440	5.443	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1	464042034	ANFZYXQMDMWUDX-GOTSBHOMSA-N	414.505	5.447	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1F	464422328	UZPUPYFSZQXJIF-GOSISDBHSA-N	416.349	5.844	30	20	HKED	
C=C(C)CN(CC)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	466515213	NLGPQRGHYQLINX-CQSZACIVSA-N	422.392	5.550	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1)c1ccccc1	472504292	RVDGSVCVBUIOHU-QRWLVFNGSA-N	410.395	5.730	30	20	HKED	
CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](COC)Cc1ccccc1	472753449	OPLRZEWRNGCVLO-ICSRJNTNSA-N	411.571	5.050	30	20	HKED	
Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	475235534	TWLPGWOAUQTXCF-UHFFFAOYSA-N	407.857	5.505	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	475577189	CBIAUILBDALVJY-FQEVSTJZSA-N	420.532	5.340	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4cncnc4)cc3F)cc2)cc1	478078233	PTFJXSVDFJZCQI-UHFFFAOYSA-N	410.408	5.199	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(C#N)cc2Br)ccc1OCC(C)C	481250954	DREAFFBGQPGRCE-OAHLLOKOSA-N	417.347	5.215	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	482050671	UIYVNVAKLCLQEV-UHFFFAOYSA-N	417.248	5.298	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482372737	WHSQCARDOHNFSV-OAHLLOKOSA-N	419.325	5.027	30	20	HKED	
N#C[C@@H](C(=O)c1cc2[nH]ccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1	483485620	MCNMXALJLVOWQU-NSHDSACASA-N	418.330	6.150	30	20	HKED	
Cc1c(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)csc1Br	486604101	VGPIUHYQEUQWAU-UHFFFAOYSA-N	407.377	5.144	30	20	HKED	
N#Cc1cc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ccc1Oc1ccccc1	487451931	OLYBTBDVUVZOJB-LYBIEXDWSA-N	402.494	5.010	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N)c1cc2ccccc2o1	488734954	OZTAUJMYEFQDMJ-NWDGAFQWSA-N	419.428	5.076	30	20	HKED	
N#Cc1cccc(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1	489712496	ILPZQCJSNPRZND-OAQYLSRUSA-N	409.411	5.047	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1	500895581	KWFIABANNUCTHC-HXUWFJFHSA-N	422.447	5.030	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc2ccccc2n1C(F)F	503441905	ZIOHYYFOUFVWKS-MRXNPFEDSA-N	404.376	5.109	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1	503924164	DIEWWYDYSNLJTJ-UHFFFAOYSA-N	409.342	5.198	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)c1csc(-c2cc(Br)cs2)n1	505193795	RGFYICGHBFOBJF-UHFFFAOYSA-N	412.378	5.036	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)n1	506001987	LGUUEFWODIPAOW-HNNXBMFYSA-N	422.554	5.759	30	20	HKED	
Cn1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(C(F)(F)F)n1	508332998	USCMHIFFSQSPPF-UHFFFAOYSA-N	420.778	5.009	30	20	HKED	
COC1(c2noc([C@H](C)Oc3ccccc3C#N)n2)CCC(c2ccccc2)CC1	508639537	VZRUPJLTLOVYOE-NEXFNOGPSA-N	403.482	5.281	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)CC2)cc1	509985313	HJCLOJWGUNNRLZ-UHFFFAOYSA-N	418.522	5.121	30	20	HKED	
C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	510763084	LXGSAPNLUSDBEP-AWEZNQCLSA-N	405.420	5.096	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1ncc(-c2ccccc2F)o1	511134216	HUASADZJIRPXLT-UHFFFAOYSA-N	417.465	5.652	30	20	HKED	
C=CCN(C(=O)CSCCC(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	512383743	DTICYRHBOQKZEA-UHFFFAOYSA-N	405.545	5.017	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2s1	513676543	GVGRHUODEVIHCJ-INIZCTEOSA-N	414.446	5.438	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H](C)c1c(C)noc1C	513775810	WDRSDMIPVRFLQQ-INIZCTEOSA-N	405.473	5.338	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(SCc3ccccc3)cc2)cc1	514032181	CSXZJJNABPYOAS-UHFFFAOYSA-N	417.534	5.539	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1	514894916	XOYVWBZVLLJLOT-JOCHJYFZSA-N	403.482	5.156	30	20	HKED	
CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc(Cl)c1O	515566772	JDLGXAUCJAXFIX-UHFFFAOYSA-N	422.868	5.147	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1	517934532	VNMHZACXADBMBJ-MRXNPFEDSA-N	405.885	5.752	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1	521806838	UENKCVKIMKBUAD-UHFFFAOYSA-N	413.852	5.239	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3ccccn3)c2)cc1	522314290	WVIDADCMPGZWLU-AREMUKBSSA-N	419.484	5.052	30	20	HKED	
CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	523419702	PORHMMKQRRZNQO-YADARESESA-N	405.542	5.764	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)coc2c1	524388984	IIEHKYBLIRZLLJ-UHFFFAOYSA-N	410.473	5.682	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C2CC2)o1	524437042	VRHNLHOVGIZSMF-BLLLJJGKSA-N	401.413	5.073	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1	530454914	JUBCLGYGTGLQIC-UHFFFAOYSA-N	422.550	5.932	30	20	HKED	
C=CCOc1ccccc1CNCc1cn(C(C)(C)C)nc1-c1cccc(OC)c1	532358798	UUNNOUDVFBNBDU-UHFFFAOYSA-N	405.542	5.168	30	20	HKED	
COc1ccc(CNc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1C#N	533327562	RSRZNCUJPGHTAC-UHFFFAOYSA-N	405.885	5.109	30	20	HKED	
CN(C(=O)c1ccc(CC#N)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	533999712	FIMKOTQCFFVFFT-UHFFFAOYSA-N	411.383	5.235	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1c(C)noc1C	535304304	QIZSGCKVEMUVCP-FQEVSTJZSA-N	404.470	5.537	30	20	HKED	
C=CCN(C(=O)c1cc(C)ncn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	535778755	NFTDZDUSGAROEN-UHFFFAOYSA-N	412.518	5.408	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1	536216914	USSDYMVCLWKVEY-UHFFFAOYSA-N	418.403	5.203	30	20	HKED	
CN(Cc1ccccc1N1CCCC1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1	537008716	OQMFAQTZSJBUME-UHFFFAOYSA-N	424.548	5.167	30	20	HKED	
C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)c1	541421962	RMWLSYQTWIXADO-HNNXBMFYSA-N	407.333	5.444	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1	542636576	QWJKQSQKDYXBDX-INIZCTEOSA-N	420.538	5.022	30	20	HKED	
FC(F)(F)c1cc([C@@H](NCc2ccccn2)C(F)(F)F)cc(C(F)(F)F)c1	543981173	GTTLYFKXXZCECV-CYBMUJFWSA-N	402.260	5.512	30	20	HKED	
O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cccc(C(F)(F)F)c1F	546540148	SXBITUMCEWDTKH-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	546711389	YLJJYYOUBRHURF-SAPNQHFASA-N	421.456	5.447	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(Cl)cncc1Cl	550604627	UYCHIHNTDHCMFO-UHFFFAOYSA-N	412.276	5.400	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CC1	554542046	DJMRYFHXYJYOLE-UHFFFAOYSA-N	417.896	5.225	30	20	HKED	
C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H](C)c1ccccc1C(F)(F)F	556956244	XYQODUZPEHFGNJ-UONOGXRCSA-N	404.407	5.056	30	20	HKED	
C=CCN(Cc1nc(C)c2ccccc2n1)Cc1cc(Br)ccc1F	561136100	CFVGTXLRIJIBKT-UHFFFAOYSA-N	400.295	5.028	30	20	HKED	
C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	564005257	DMHNIJFYATXHIS-HTAPYJJXSA-N	417.336	5.050	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4cccc(F)c4F)CC3)cc2)nc1	565691668	MEKPMNWKHFVNBO-UHFFFAOYSA-N	419.431	5.044	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccccc3)c3ccccc3C#N)o2)cc1	570709934	HMWZKZLOEPAWPB-UHFFFAOYSA-N	421.500	5.688	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1	603730834	TVNLZEKJOUPXBI-UHFFFAOYSA-N	415.543	5.707	30	20	HKED	
N#CCCCOc1cccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1	603972029	CXTQTKDXQAWBQE-UHFFFAOYSA-N	416.443	5.838	30	20	HKED	
COc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	604089528	CIKKAPLHHAQDGV-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1	605363509	FDCAKGOGXDNHCW-OAHLLOKOSA-N	406.898	5.447	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2F)c1	609110473	LCPWCQBRQQNLNB-UHFFFAOYSA-N	419.437	5.245	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	609191537	VTAGCDUQXLUXFL-UHFFFAOYSA-N	406.555	5.257	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	609206945	CFLDZNWRFYUZGO-UHFFFAOYSA-N	411.811	5.810	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccoc2)n1	609371342	UYRIETXKMCKFIS-UHFFFAOYSA-N	417.465	5.569	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F	609386968	BGFGQSHXUMYOTF-KBPBESRZSA-N	407.461	5.396	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C	609387120	NTURXSOJWYUSDY-HNNXBMFYSA-N	421.488	5.767	30	20	HKED	
CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccccc1S[C@@H](C)CC#N	609435147	RWTNJQCCUMWKMT-INIZCTEOSA-N	413.543	5.152	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	609435393	LSSYVQOMIDRQDA-INIZCTEOSA-N	419.554	5.205	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCO1	610204445	GVBMMQJVBALGLN-VWLOTQADSA-N	412.489	5.067	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H](C)c3cccc(C#N)c3)s2)cc1	610351315	KVLZFKVXVZMFKJ-ZBFHGGJFSA-N	420.538	5.120	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1cccc(C#N)c1	610359111	FEVBFJBKBRYDKJ-MRXNPFEDSA-N	411.436	5.510	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccc(F)cc2s1)c1nc(-c2ccc(Cl)cc2)cs1	613319356	YIGHZLLYIOXBPJ-HNNXBMFYSA-N	412.898	6.307	30	20	HKED	
N#C[C@H](C(=O)c1occc1CSc1ccccc1)c1nc2cc(Cl)ccc2s1	613407102	IYAKFDWHWLTKIX-MRXNPFEDSA-N	424.934	6.325	30	20	HKED	
C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	614179204	KPIWYBFNDQPLOU-SFHVURJKSA-N	415.512	5.730	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	626583764	SNBXQYPOFQHSGZ-UHFFFAOYSA-N	417.534	5.539	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C)c(OC(F)F)c2)c1C(F)F	676177789	SNDQMXYWHADDEH-UHFFFAOYSA-N	413.293	5.022	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	680213810	PTXBRRCHXDJKLG-AWEZNQCLSA-N	410.289	5.300	30	20	HKED	
N#C[C@@H](C(=O)c1noc2c1CCCCC2)c1nc2cc(C(F)(F)F)ccc2s1	682012796	RHTSVZXKGNNGSP-LBPRGKRZSA-N	405.401	5.062	30	20	HKED	
N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc2cc(Cl)ccc2s1	728765625	NDHWQZOJYVMIKB-ZIAGYGMSSA-N	408.832	5.862	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1	730155907	NAQYJXQKWDBFLN-CQSZACIVSA-N	411.983	5.801	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sccc1SC(F)F	730473809	JBFPEJZEJREUHN-UHFFFAOYSA-N	417.462	5.683	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=S)Nc2ccc3ccccc3c2)ccc1OC	733209494	VDEJIUXFTDZPAC-HXUWFJFHSA-N	405.523	5.016	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2cn(Cc3ccccc3)c3ccccc23)c1	733800383	ONTJMVFKMQJUOT-DEOSSOPVSA-N	409.533	5.660	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccccc3F)s2)cs1)C1CC1	734305867	GXMOBTOKQSQZIJ-RMKNXTFCSA-N	412.511	5.422	30	20	HKED	
C#Cc1cccc(N(CC)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1	741919954	ODGPHZOOORRBCF-UHFFFAOYSA-N	412.276	5.224	30	20	HKED	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1	743093934	ZORYLPHNUCCBKN-UTKZUKDTSA-N	418.566	5.894	30	20	HKED	
COc1ccc(CCC(C)=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1	744179293	LXOZSYSMJJQWAT-UHFFFAOYSA-N	420.296	5.577	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3sccc3-c3ccc(F)cc3)s2)cc1	744320468	VOOIHTITVURPOI-UHFFFAOYSA-N	419.506	5.725	30	20	HKED	
Fc1ccc2[nH]cc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)c2c1	747045417	AKSPSNPKSHAUQB-UHFFFAOYSA-N	406.273	5.043	30	20	HKED	
N#Cc1ccc(/C=C2/CN(C3CCCCC3)C/C(=C/c3ccc(C#N)cc3)C2=O)cc1	747318952	USGBYSAZVCMDGI-MQDDAKQZSA-N	407.517	5.114	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H]2c2cc(C)on2)c1=S	747455875	SYRGTLBRMVOOQX-GOSISDBHSA-N	415.950	5.012	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1	747475565	AWBJDXBHOUDKRX-UHFFFAOYSA-N	411.490	5.007	30	20	HKED	
Cc1nsc(N(C)C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1C#N	748224140	HKOPOEDHEPKBAG-UHFFFAOYSA-N	418.909	5.468	30	20	HKED	
N#CCOc1ccc(COC(=O)CCSc2ccnc3cc(Cl)ccc23)cc1	751724637	PYZFOZSPSHXHCF-UHFFFAOYSA-N	412.898	5.016	30	20	HKED	
COc1cccc(/C(C)=C\C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	751835958	XCVAPXUPDFMGNF-OVHOFWQVSA-N	410.445	5.377	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)c1	758646123	FKNCVDNQTIFXBW-SIKLNZKXSA-N	420.557	5.377	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)cc2)o1	758968250	WHKHYWMLEDBHGP-UHFFFAOYSA-N	423.472	5.102	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CC34C[C@H]5C[C@@H](CC(F)(C5)C3)C4)n2)cc1	759457827	BMFBJHUXQVGWFT-JCIRMEOBSA-N	419.525	5.557	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1	761310921	MBQXUTXOCXMWSG-INIZCTEOSA-N	415.707	6.555	30	20	HKED	
N#CCc1ccccc1Cc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1	761516666	OWCOCWIOPSHIHL-UHFFFAOYSA-N	409.449	5.037	30	20	HKED	
FC(F)(F)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)s1	761778550	VITOZAVOTVBJCV-UHFFFAOYSA-N	402.854	5.186	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@H](C)c1ccccc1C(F)(F)F	766454237	UXGWYQYKGXUDHF-QWHCGFSZSA-N	409.383	5.061	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)ccc1OC	772979866	OFLPWWTULCZDHI-DVECYGJZSA-N	400.522	5.894	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@H](O)c1cc2ccccc2s1	778326306	WEKMSPKBLKIPAF-IBGZPJMESA-N	414.486	5.029	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	780163565	IAAQMVVONTYFOS-OYHNWAKOSA-N	424.859	5.529	30	20	HKED	
CC(C)[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)cc1F	782099750	PAURLDVCKKEECZ-VGOFRKELSA-N	422.891	5.003	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21	786310420	USIULSQTMYBTHP-DZFGPLHGSA-N	404.510	5.050	30	20	HKED	
N#CCCn1cc(/C=C2/Cc3c(Br)cccc3C2=O)c(-c2ccccc2)n1	788356461	WQHZGDSFKRSFQG-VBKFSLOCSA-N	418.294	5.049	30	20	HKED	
Cc1cccc(Cl)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	790767076	HQDMGOYJOWEYFZ-LJQANCHMSA-N	418.880	5.331	30	20	HKED	
CCCCCCCC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1	791953593	VGZRSKCYZXHJLZ-UHFFFAOYSA-N	400.588	5.885	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)Nc3ccccc3O[C@H](C)C#N)c2C(C)C)cc1	792353746	BDUSYBUHEOHWLX-QGZVFWFLSA-N	403.486	5.239	30	20	HKED	
Cc1nc([C@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)oc1-c1ccc(Cl)cc1	795981570	CTEPDSOFFRHIIK-QFBILLFUSA-N	408.885	5.995	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2nc(-c3ccccc3)oc2c1	796633301	NTTAISINCVCQHQ-INIZCTEOSA-N	415.836	5.109	30	20	HKED	
C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1NC(=O)c1ccccc1	796673239	QYLZDZXKIUSBQH-DENIHFKCSA-N	412.489	5.631	30	20	HKED	
C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1	811859730	ZDQYSKRDHWLWNW-UZUQRXQVSA-N	419.912	5.049	30	20	HKED	
COc1ccc(CNC2(c3nc(-c4ccccc4F)c(C)s3)CCC2)cc1C#N	815166430	KVYQPEGUCSDQEN-UHFFFAOYSA-N	407.514	5.307	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12	915086315	JCHLSFKHIOTNOC-OAQYLSRUSA-N	408.461	5.316	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc2c(c1)CCC2)c1nc(-c2ccc(Cl)cc2)cs1	916650553	XTLQPLXFACNLON-IBGZPJMESA-N	408.910	5.207	30	20	HKED	
CC(C)c1cccc(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	916930597	DOLILSJFWDCNEG-SUMWQHHRSA-N	419.308	5.232	30	20	HKED	
CCc1cccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917042080	BJKUAHRAQXSFNT-OAHLLOKOSA-N	404.413	5.133	30	20	HKED	
CCc1ccccc1OCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917042740	HMOUAQLZDJWGSA-CQSZACIVSA-N	404.413	5.133	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)co1	919811907	NNLPFLWLEDNWND-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c3ccccc3n(C)c2s1	920106157	LJBRZZIHGVWCNW-QGZVFWFLSA-N	411.486	5.388	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(C(F)(F)F)cc1	920113409	WISYJNYAJWAHKQ-ABAIWWIYSA-N	422.859	6.339	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	920804510	SKEXDUISGSKAHF-QGZVFWFLSA-N	404.441	5.660	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1	1789155182	ZFNPINNMQFALTJ-RTWAWAEBSA-N	408.929	5.154	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1	1823911119	VNPDQRIRRDWFGH-XMSQKQJNSA-N	416.993	5.094	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832367718	OPKUUNKIBFAPBW-OYDLWJJNSA-N	414.634	5.201	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2c(C)cccc2C)cc1	11153233	IWFGMMHGTKGWEJ-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
N#CCc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1	29762035	CBUSUEKJWJHKDV-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1	54507274	LWLHBGJEHCYEPD-HNNXBMFYSA-N	418.884	5.347	30	20	HKED	
Cc1sc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	56790992	MYHDYSLXKSWCIY-ZDUSSCGKSA-N	410.930	5.204	30	20	HKED	
COc1ccc(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OCCCC#N	64613679	GFGUCNRUNYALJV-VWLOTQADSA-N	420.940	5.910	30	20	HKED	
C[C@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)c1cccc(C#N)c1	301468209	YZPJGQOVCZHCAD-AWEZNQCLSA-N	412.522	5.072	30	20	HKED	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	303070922	XBVRNKSPAAXFHD-KRWDZBQOSA-N	411.461	6.322	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cc4c(cc3Cl)CCC4=O)cc2)cc1	429491423	LDQXHBCPHRYIIS-UHFFFAOYSA-N	416.864	5.580	30	20	HKED	
Cc1nc([C@H]2CCCOC2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	429683216	KOHIWQRAHWGRJD-WCQYABFASA-N	417.943	5.099	30	20	HKED	
CCn1ccnc1[C@H]1CCCCN1Cc1cccc(OCc2cccc(C#N)c2)c1	430881993	GODFZWBIOIAPFG-XMMPIXPASA-N	400.526	5.081	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	437862854	FXHKJMFBTORPMJ-FZKQIMNGSA-N	421.394	5.253	30	20	HKED	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	438941535	LXWOOQNVWFOHHW-UHFFFAOYSA-N	405.841	5.025	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccccc1	440259139	VSDMDENFSUJRPB-IBGZPJMESA-N	422.916	5.415	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1cc(C)no1)c1ccc(C(F)(F)F)cc1	441533796	KISGZAVZJPOJOS-ZWKOTPCHSA-N	407.436	5.556	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(C[S@@](C)=O)c1)c1ccc(C(F)(F)F)cc1	441541722	KQJFNSQOTNLWSY-WHLCRQNOSA-N	409.473	5.021	30	20	HKED	
Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	444390152	SQQLDSNOTDOSED-SJORKVTESA-N	419.554	5.315	30	20	HKED	
CCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1cccc(C)c1	444403434	MTXXPTHITWHPKP-UHFFFAOYSA-N	411.509	5.254	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)CCSCC	460948350	JAUMNYGTEAUBOI-JBACZVJFSA-N	414.619	5.067	30	20	HKED	
CC(C)Oc1ccc2ccccc2c1CNCc1cn(CCC#N)nc1-c1ccccc1	463724704	RNBFDRUUIIETNW-UHFFFAOYSA-N	424.548	5.694	30	20	HKED	
C=CCCCCCN(C)C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1	464084033	WUPNGKWQKRJMQL-UHFFFAOYSA-N	417.596	5.060	30	20	HKED	
CN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2	466171288	SWJLVSPRPSEDTL-JAXLGGSGSA-N	422.960	5.132	30	20	HKED	
CN(CCC1CCOCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	467023273	LGQRLMNYRQMOEJ-OAQYLSRUSA-N	411.933	5.276	30	20	HKED	
C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1	474892531	JTSVIYFPMAJFKP-SFHVURJKSA-N	411.505	5.231	30	20	HKED	
CC[C@@H](CC#N)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	475019529	VBQRZSUKQNSQJQ-INIZCTEOSA-N	418.419	5.080	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1cccc(C)c1	476690155	DQWCXUHGUGALLA-ZDUSSCGKSA-N	417.456	5.220	30	20	HKED	
COc1ccc(Cl)c(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	479555092	MWBMXFPBKIKERL-CQSZACIVSA-N	420.987	5.472	30	20	HKED	
C=C(C)Cn1c(SCc2ccc(OC(F)(F)F)cc2)nnc1-c1ccncc1	481377664	ULZUKYQBZWBNOT-UHFFFAOYSA-N	406.433	5.107	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Oc2ccccc2)o1	482120091	IUEGWBRHSNCDPV-UHFFFAOYSA-N	411.417	5.692	30	20	HKED	
Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2cc(F)ccc21	483463170	RNVFLHJUWFWFEM-MRXNPFEDSA-N	409.873	5.584	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccc(C#N)c(Cl)c1	485623144	FWSKFPLOIWUJKW-UHFFFAOYSA-N	405.763	5.446	30	20	HKED	
Cc1ccc(CNC(=O)c2ccc(F)cc2C(F)(F)F)c(OCC(F)(F)F)c1	487850111	KCKMSEBTNYTTBS-UHFFFAOYSA-N	409.301	5.024	30	20	HKED	
C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1	491142577	ZQBUBHADEWBOQJ-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H](CC(F)(F)F)c1ccccc1	491347422	PPQDCMXKGKLRQV-ZDUSSCGKSA-N	410.289	5.381	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Br)cc1C(F)(F)F	494217848	YCWGXBTYNQWFKQ-UHFFFAOYSA-N	416.197	5.009	30	20	HKED	
C[C@@H](CCCC(F)(F)F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	494533474	WFAIDYRTELWNSZ-INIZCTEOSA-N	419.447	5.574	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1	499884919	DOVBBLLUGCHCBA-AOMKIAJQSA-N	420.513	5.526	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)NCc1ccc(COCc2ccccc2)cc1	500875370	WHZGEXLEGTUOFW-UHFFFAOYSA-N	400.522	5.301	30	20	HKED	
C=CCN(C(=O)CCc1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	502945688	PEPUDTGZWOFJBO-UHFFFAOYSA-N	407.322	5.862	30	20	HKED	
CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	503217917	ONQJBNBNFHYLFJ-MRXNPFEDSA-N	410.543	5.567	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)Nc3cc(C)n(CCC#N)n3)c2)c(C)c1	504107399	BXWKAGUICTXYRM-UHFFFAOYSA-N	404.539	5.267	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1	504127535	HHYHXCADFFYJNC-XUTJKUGGSA-N	400.954	5.151	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2	504560194	FQYQHESBZLHFEN-YPKPFQOOSA-N	405.860	5.110	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	504585045	LDMWAEOZJAVWHS-MQSCRBSSSA-N	416.546	5.564	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1	505062266	QGMHJVGUTUCJIQ-HXUWFJFHSA-N	402.441	5.012	30	20	HKED	
N#C[C@H](NC(=O)c1occc1CSc1ccccc1)c1cccc(Cl)c1Cl	505339599	WDSZZNSGHWEOLJ-KRWDZBQOSA-N	417.317	5.873	30	20	HKED	
C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1	508724387	RFGDGRSMERWOBL-UHFFFAOYSA-N	424.508	5.069	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1F	510901771	IRLVYWSZJPDXMM-UHFFFAOYSA-N	419.456	5.471	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2ccccc12	518169707	SUWSERXDDWELTO-JPYJTQIMSA-N	415.562	6.461	30	20	HKED	
COc1ccc(C(=O)CCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1	520556250	IVGGAETULMGTMU-UHFFFAOYSA-N	414.461	5.351	30	20	HKED	
N#CCCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	520797104	XQOLPQMLNFIKIJ-UHFFFAOYSA-N	406.532	5.064	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	521185294	LPGSVIMXSOKKDO-UHFFFAOYSA-N	413.823	5.118	30	20	HKED	
CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	522572413	WAJFAVHLMDTXQI-UHFFFAOYSA-N	423.831	5.354	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1	523509681	PUMROOGBEVHKFE-GOSISDBHSA-N	421.415	5.080	30	20	HKED	
Cc1cc(Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nc(-c2cccnc2)n1	524495492	MBKRFYONSQEJJW-UHFFFAOYSA-N	411.440	5.180	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1	530553359	YWHZRZVTEBCZLZ-OAQYLSRUSA-N	400.469	5.422	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCc2nccs2)C(C)C)cc1	533603594	CACOULFXDHJPRT-UHFFFAOYSA-N	405.523	5.209	30	20	HKED	
C=CCCC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1	534242178	GLEXRKWEPWRNOH-UHFFFAOYSA-N	422.337	5.521	30	20	HKED	
Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(C#N)c(F)c3)c(C(F)(F)F)c2)n1	539606885	SULVYXWHXDZMNW-OAHLLOKOSA-N	416.422	5.370	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(C(F)(F)F)cc2Cl)c1C	540457553	FLAQJHIUSPMYGT-UHFFFAOYSA-N	418.806	5.285	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1	541177432	ODGOTCRMHYFEJC-IRXDYDNUSA-N	422.525	5.180	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)s1)c1ccccc1	541342002	IHNSFFXSSYAVFR-CVEARBPZSA-N	418.360	5.402	30	20	HKED	
CC(=O)c1ccc(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1	542180829	JBILBRAVJAVMED-MRXNPFEDSA-N	421.312	5.423	30	20	HKED	
COCCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543018651	WNPBZXRTGJHQTL-GOSISDBHSA-N	419.550	5.206	30	20	HKED	
COCCOc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2ccc(F)cc2)s1	543214698	GBFFZNJVTMNZMF-UHFFFAOYSA-N	410.470	5.012	30	20	HKED	
Cc1nc(C(F)(F)F)c(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1	546800533	LFPQYZZBWUVCSF-CYBMUJFWSA-N	401.457	5.860	30	20	HKED	
N#CCC1CCN(c2nnc(-c3cccc4ccccc34)n2Cc2cccs2)CC1	549966908	XHAWBZPEJVKSMK-UHFFFAOYSA-N	413.550	5.338	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](CCCC#N)c1ccccc1	550832320	FNKYDFSNWXEUMU-UZLBHIALSA-N	403.448	5.447	30	20	HKED	
N#CC(CCN[C@H](c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccc1	552794589	KEMHXQXSKMGBJR-HHHXNRCGSA-N	403.529	5.661	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nc(-c2c(F)cccc2F)cs1	552976630	GOPHLKMZNBRUII-CYBMUJFWSA-N	424.407	5.108	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)cc1	554179645	QNTSGKVOHAKARB-CVDCTZTESA-N	403.526	5.116	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1coc(-c2ccc(F)cc2)n1	554588265	DWDPKMVAGRGYGR-UHFFFAOYSA-N	411.436	5.128	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1	560743881	OIFDFXLZWMXTGV-HSZRJFAPSA-N	421.516	5.303	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nc2ccccc2[nH]1	561206595	UVXALEHAPVSCLF-YWZLYKJASA-N	407.543	5.333	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)SCc1ccc(C#N)cc1OC(F)F	563767696	WSDVHNRRECKBML-HNNXBMFYSA-N	418.509	5.852	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(F)cc1OCC1CC1	569757739	YONARXVTDQEOKQ-UHFFFAOYSA-N	400.498	5.002	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2ccc(C#N)c(F)c2)cs1	572908570	LDSDECHTAYADHU-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
Cc1nc(NC(=O)c2cc(C#N)ccc2Cl)sc1Cc1ccc(F)c(F)c1F	581326603	LVYGSKADVBHTAG-UHFFFAOYSA-N	421.831	5.237	30	20	HKED	
CC(C)(C(=O)N[C@H]1CCc2cc(C#N)ccc21)c1csc(-c2cc(F)ccc2F)n1	589504595	ZJECKVZLUJHMQI-IBGZPJMESA-N	423.488	5.041	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1	589738836	ATTCIEFLOBXWFY-IBGZPJMESA-N	417.509	5.498	30	20	HKED	
CSCCc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	609014925	NAHJDIVFDMNBFA-UHFFFAOYSA-N	404.560	5.867	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1coc(Br)c1	609061026	HULBIKFHYLQURL-UHFFFAOYSA-N	411.255	5.054	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1Cc1ccccc1	609376621	GRBMUYOPAJPZMI-IBGZPJMESA-N	416.546	5.547	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	609460430	OZRFSGWISWIPQD-MGPLVRAMSA-N	417.214	5.161	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)c1sccc1C	609936560	MFEZHLDLWKFWAR-QHCPKHFHSA-N	415.562	5.610	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)cc1	609988074	IEJIPJYBTRRQRD-QHCPKHFHSA-N	417.896	5.169	30	20	HKED	
CSCc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1F	610468064	XSMCOZXZLVEFJY-ZDUSSCGKSA-N	424.444	5.807	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)NCc1ccc(C#N)cc1F)C1CC1	610664008	OOGVROUNVUUSPR-ZDUSSCGKSA-N	405.395	5.151	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1	610744666	BKCSGHTXDZZDAI-LJQANCHMSA-N	401.514	5.054	30	20	HKED	
C[C@H](NCc1ccc(C#N)cc1F)c1ccc(Br)cc1Br	610812469	DKJHRQMFIBQPIX-JTQLQIEISA-N	412.100	5.073	30	20	HKED	
Cc1cc(C#N)ccc1CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1	614396667	CBIQAICELOUQSX-HNNXBMFYSA-N	411.962	5.016	30	20	HKED	
Fc1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cs2)cc1	618449947	IBIVIMFBQPLCCU-RYUDHWBXSA-N	412.374	5.512	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cs1	727626911	IRAXAYCYFHAOJL-IBGZPJMESA-N	411.486	5.233	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(F)c1	728063038	UDPMLORBCNENIU-SFHVURJKSA-N	417.484	5.332	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1cccc(OC(F)F)c1	728439269	GIVYKIWUNWEWMX-AATRIKPKSA-N	401.390	5.036	30	20	HKED	
C[C@@H](CC#N)N(C)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccco2)c1=S	728902948	YUHNIPUGZHBLCI-KRWDZBQOSA-N	423.586	5.211	30	20	HKED	
N#C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1cccc(Cl)c1Cl	731195230	BHOIMMOUFXWWPM-CYBMUJFWSA-N	418.505	5.404	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1	731332323	IVECCDVBZWBCMQ-UEICXMAYSA-N	402.519	5.895	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1	731540286	LRZHYCLFKCZWQR-JOCHJYFZSA-N	414.933	5.272	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Oc1ccncc1	734318133	MBDMMLJCJXALOQ-VWLOTQADSA-N	419.484	6.090	30	20	HKED	
COC(=O)[C@@H](N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccc(C#N)cc1	739990153	OJXJKAXLTBCVOX-HJPURHCSSA-N	404.441	5.055	30	20	HKED	
CCOc1ccc(Oc2ccc(N[C@H](C(=O)OC)c3ccc(C#N)cc3)cc2)cc1	739991410	QKQSUIYANQSBCY-QHCPKHFHSA-N	402.450	5.075	30	20	HKED	
N#Cc1ccc(-c2cccc(CNCc3ccccc3OCc3ccncc3)c2)s1	740010708	FWSNVMVFNPOXNH-UHFFFAOYSA-N	411.530	5.551	30	20	HKED	
CSc1cccc([C@@H](Nc2snc(Cl)c2C#N)c2ccc(F)c(F)c2)c1	742423549	OQOPSGRIKBFCFU-MRXNPFEDSA-N	407.898	5.870	30	20	HKED	
CS(=O)(=O)c1ccc(C(=O)/C=C\c2cc(Cl)ccc2OC2CCCC2)cc1F	742434820	NYVXOFVIKQZYPU-TWGQIWQCSA-N	422.905	5.100	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(SC)c(OC)c3)cc2c1C	746341630	FEZNQCRVRPTCCE-ALCCZGGFSA-N	413.520	5.018	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccccc1	748606581	IHZILJFOGOBPOD-SFHVURJKSA-N	407.861	5.089	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)s1	750441695	ABUZCSPAGGMWPP-SFHVURJKSA-N	420.534	5.216	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	751251273	GKWFIAJPMJNFSC-UHFFFAOYSA-N	420.534	6.182	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cccc(SC(=O)N(C)C)c1	753058878	DEBACJOKUNSYKQ-UHFFFAOYSA-N	424.595	5.121	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cnc(-c4ccncc4)s3)s2)cc1	753143924	IWFNMVMSNVEGSA-FPLPWBNLSA-N	419.531	5.542	30	20	HKED	
C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1OC(F)F	753395797	PQSWOQJORUXVOS-OCKXMSAZSA-N	420.415	5.192	30	20	HKED	
C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cc(Br)cc(Br)c1O	756625295	IWZQVWBATIPQJN-MNOVXSKESA-N	424.136	5.201	30	20	HKED	
N#Cc1cc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1F	758930442	WNGQQSRZAFNTPA-UHFFFAOYSA-N	419.239	5.335	30	20	HKED	
C=C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	759208615	QIIURWREDRUKJS-KSSFIOAISA-N	400.450	5.009	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1	761663858	CPKJQPOVFHXEKQ-NRFANRHFSA-N	409.848	5.293	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)Cc2ccc(OCCOc3ccccc3)cc2)n1	765961565	ZLKHSODKGOTNNH-NRFANRHFSA-N	420.534	5.143	30	20	HKED	
COc1cc(/C=C2/CCc3nc(O)ccc3C2=O)ccc1OCc1ccc(Cl)cc1	769608664	FEXXSWCENMXBID-ATVHPVEESA-N	421.880	5.241	30	20	HKED	
CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1sc(C(C)(C)C)nc1C	774121737	YLVUSFQCQCUDIC-KHPPLWFESA-N	411.976	5.092	30	20	HKED	
COc1cccc(C(N[C@@H](C)c2ccc(OCC#N)cc2)c2cccc(OC)c2)c1	776162568	IQHDZIDXQALYFV-SFHVURJKSA-N	402.494	5.046	30	20	HKED	
CC1(C#N)CCN(Cn2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2=S)CC1	779879089	IIELNUJQGPKPEC-UHFFFAOYSA-N	423.973	5.307	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(OCc2ccc(F)cc2)c1	780479594	ZKYXOLWHQMOMNH-INIZCTEOSA-N	405.429	5.340	30	20	HKED	
CC[C@H](C)Oc1cc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OC	787167315	CNRXTSJYMMMQOQ-SMEDBKPVSA-N	406.482	5.028	30	20	HKED	
O=C1/C(=C\c2ncc(C(F)(F)F)s2)CCC/C1=C/c1ncc(C(F)(F)F)s1	788345552	NZPMKZTVRBIFGL-XEQVNJCQSA-N	424.391	5.857	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1	796818358	TUUKMNPVVGHAOV-WIYYLYMNSA-N	404.432	5.507	30	20	HKED	
COc1cccc2c1CC/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O	799502769	QJNQWKQDEARRMF-NTCAYCPXSA-N	422.481	5.188	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(Cl)c3F)n2)cc1	810549750	OSSWFAKLAUUKKX-HNNXBMFYSA-N	400.862	5.030	30	20	HKED	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)c12	899583424	VKOAGIILRFRGDX-UHFFFAOYSA-N	422.488	5.050	30	20	HKED	
Cc1nc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1	915102967	MDUQHILFOGTZJO-ZDUSSCGKSA-N	408.335	5.301	30	20	HKED	
COc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)c(F)c1	916142002	XTPIPRXXTFJTMW-VMPITWQZSA-N	418.287	5.616	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1	916844040	TWFCSKAYUGKGHX-HNNXBMFYSA-N	422.506	5.874	30	20	HKED	
N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc2ccccc2n1	916848538	LPRIAAPJXYAYMO-IBGZPJMESA-N	408.423	5.942	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)cc1	916912835	MDWWMXFXICBENH-KONDSOJQSA-N	418.493	5.477	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	916914868	WUCUXLVILTZYHK-GOSISDBHSA-N	421.478	5.113	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2CSC)cc1	916947618	OTACYDTYIITQFX-DNVCBOLYSA-N	420.534	5.770	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	916997128	RMFSZXQXYILVBD-GTBONMDNSA-N	417.292	6.146	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)COc1ccc(C2SCCCS2)cc1	918170853	RRJYMZHLVKYUMA-UHFFFAOYSA-N	417.571	5.288	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)c(Br)cc1O	921265949	UHCKGNLEAVQEMJ-IHWYPQMZSA-N	408.100	5.428	30	20	HKED	
C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2	1793051996	PEOQCRKGZGJYKB-BCDXTJNWSA-N	421.368	5.014	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3ccccc13)C2	1798592891	PNXDTNCVEUITLN-WKCHPHFGSA-N	404.554	5.084	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1	1828344146	NAGOESZHPHEQNZ-RPWUZVMVSA-N	412.618	5.121	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2C)CC1	1828822840	MKKYTQQMOWCKCV-SFTDATJTSA-N	414.615	5.058	30	20	HKED	
C=CCn1c(S[C@@H](C)C#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12	9397828	RHCCHUADYGJELV-KRWDZBQOSA-N	411.534	5.659	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cc(C)cc(C)c2)cc1	10172520	JAJDYAZJSYBREF-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
N#Cc1ccccc1-c1ccc(CSc2nnc(-c3cccnc3)n2C2CC2)cc1	22416758	ALJDDTLDSMRWIU-UHFFFAOYSA-N	409.518	5.506	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(C)c(C)c1	23603298	ARZFKCVBEFUKNR-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(C)cc2)n1	26669296	SHSKQICXJWJWGY-UHFFFAOYSA-N	424.547	5.192	30	20	HKED	
Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)oc2ccc(F)cc12	32040735	UYWFITOZUUNMGN-UWVGGRQHSA-N	411.317	5.520	30	20	HKED	
COc1cc(C(=O)/C=C\c2cccc(OCc3ccccc3)c2)cc(OC)c1OC	33806874	OKSPZLVWSXTSFT-SEYXRHQNSA-N	404.462	5.188	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1	63750787	LXASZRRUVWPTHB-UHFFFAOYSA-N	400.404	5.038	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1	72074625	MRKITSLQECEMOZ-AWEZNQCLSA-N	423.419	5.076	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1Cl	107648420	NTPFUPXGHURMEO-QFIPXVFZSA-N	412.880	5.433	30	20	HKED	
N#CCOc1cccc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1	107751038	MKNUNYMRIKHMOJ-HSZRJFAPSA-N	422.937	5.704	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1Cl	428184201	JEQFJNMAEHRYTM-INIZCTEOSA-N	400.787	5.665	30	20	HKED	
N#CCCC[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1	431320166	YKEQIHCBAVFUKT-JBACZVJFSA-N	415.459	5.686	30	20	HKED	
COC(=O)c1cccc(-c2nc(CN[C@@H](CCCC#N)c3ccccc3)cs2)c1	433010726	LITVZKFZPFTTTO-NRFANRHFSA-N	405.523	5.121	30	20	HKED	
N#CCCn1cc(CN2Cc3ccccc3-c3ccccc3C2)c(-c2ccncc2)n1	435127903	FJYLYCVIBWNACL-UHFFFAOYSA-N	405.505	5.042	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccccc3SC[C@H](C)C#N)CCCC2)n1	438064723	GKLAKWVSYVERNE-CQSZACIVSA-N	400.573	5.294	30	20	HKED	
N#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)c(Cl)c1	439438944	NAHGINFAUWDHAQ-MRXNPFEDSA-N	417.656	5.757	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	439497713	INVLWOTUAHFIFK-HNNXBMFYSA-N	405.527	5.291	30	20	HKED	
CCCc1c(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cnn1-c1cccc(C#N)c1	440083494	XHYOGCFZVRQSMP-UHFFFAOYSA-N	421.863	5.223	30	20	HKED	
C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCN(C2CCC2)C1	444675870	SRHUNJDECGDETM-PKTZIBPZSA-N	401.598	5.129	30	20	HKED	
COc1ccc(F)c(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	444855111	HMNYNYIQQOLDAH-OAHLLOKOSA-N	424.316	5.668	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC3(CCCC3)C2)cc1	446225859	KIKOJDHKGJNTHJ-UHFFFAOYSA-N	403.526	5.520	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2)cc1	464428752	NZYYQPTUPIVRMV-HXUWFJFHSA-N	421.378	5.041	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)c1cccc(OCc2ccccc2C#N)c1	464664309	ZZTAGYOFQGVVEA-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466537298	WWZRBCBCVYPKQT-AWEZNQCLSA-N	420.376	5.326	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)on2)c1	468255334	MXDCJYWGXKTTFK-OAQYLSRUSA-N	417.515	5.124	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N3CCC(c4cccc5ccccc45)CC3)on2)c1	469073756	SKRBJLVPAWORNN-UHFFFAOYSA-N	407.473	5.386	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)sc21	470880040	MYMLWYHEFDRDKR-UHFFFAOYSA-N	424.432	5.489	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C	471181823	ICVCAGDSDMTULQ-UHFFFAOYSA-N	413.521	5.858	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)cc1C(F)(F)F	471748929	JQXMMUZYUZBGEC-UHFFFAOYSA-N	406.816	6.211	30	20	HKED	
N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1	473813768	VSEPWLISZHXJJO-UHFFFAOYSA-N	422.941	5.834	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccn(C2CCCC2)n1	477345456	BCFBAIBPKYXIHM-MRXNPFEDSA-N	414.600	5.122	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C	480362766	OKARCYMMPVRKEM-UHFFFAOYSA-N	405.951	5.525	30	20	HKED	
C=C(C)[C@H](NCc1csc(COc2ccc(F)cc2)n1)c1ccc(F)c(F)c1	481571853	OOORWSBAJMQAED-NRFANRHFSA-N	404.457	5.546	30	20	HKED	
Cc1nc2cc(Cl)c(NCc3cn(CCC#N)nc3-c3ccncc3)cc2s1	481819653	AOQFGOSGHXHNOH-UHFFFAOYSA-N	408.918	5.042	30	20	HKED	
Cn1c([C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)nc2ccccc21	481928073	QJSHTPJJTBQZRW-ZEQKJWHPSA-N	406.533	5.592	30	20	HKED	
C=CCN(C(=O)c1cccc2cccnc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	483185205	UXLVBXLPPVIWBN-UHFFFAOYSA-N	416.462	5.099	30	20	HKED	
Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C(C)C	485527054	XQSXQTOJCTZQKV-KRWDZBQOSA-N	418.566	5.808	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	486793092	XMIWTHAXZUSGSC-MRXNPFEDSA-N	421.522	5.056	30	20	HKED	
Cc1cc(C(=O)N(c2cccc(C(F)(F)F)c2)C(C)C)nn1-c1cccc(C#N)c1	503684336	ZEEHUUVOHUSOBH-UHFFFAOYSA-N	412.415	5.126	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(Br)ccc1F	504191575	VSOJCTGCXCRXCU-UHFFFAOYSA-N	417.731	5.201	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1C[C@@H]1c1ccccc1OC(F)F	505440307	OIKKZUZHNTWMQO-OHUAYANFSA-N	421.312	5.090	30	20	HKED	
C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccncc1F	512223428	DAYQQSMHTJIOTF-MEBBXXQBSA-N	423.332	5.293	30	20	HKED	
COc1cc(C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513871126	LTNHMAIOBHIOHY-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
C[C@H](Cc1ccsc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	517312779	JPUUEWJIIQBRQA-FOIQADDNSA-N	409.942	5.810	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1	517352780	ANJKRNVGJNJEBZ-UHFFFAOYSA-N	400.453	5.509	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc2ccccc12	518169704	SUWSERXDDWELTO-FDDCHVKYSA-N	415.562	6.461	30	20	HKED	
C=C[C@@](C)(CC)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	520456521	IRQDXLCGJVFITE-VWLOTQADSA-N	401.510	5.380	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	521089313	IWUVWAIRSAPZMA-UHFFFAOYSA-N	409.898	5.289	30	20	HKED	
N#C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1cccc(Cl)c1Cl	521769593	RIPLUDJNHMZCOQ-IBGZPJMESA-N	411.288	5.420	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@H](C#N)c3ccccc3Cl)ccc21	522351749	ZIJZANCWYLKBIM-MRXNPFEDSA-N	420.822	5.284	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	522533349	IEYOCFKDVKPCAN-PMACEKPBSA-N	420.434	5.621	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1	523780709	FJTGPAUOHUARBL-FQEVSTJZSA-N	411.505	5.918	30	20	HKED	
N#Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1C#N	525149258	NBBQXWHDTMOPCI-UHFFFAOYSA-N	423.863	5.188	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1	525392310	FQHCURVGCIUCCG-OAQYLSRUSA-N	418.368	5.032	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c(F)c1	525629340	XQLDNVWJAZVSFM-JOCHJYFZSA-N	408.523	5.025	30	20	HKED	
COc1ccc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)[nH]c2c1	525737257	BBBZZAPKUXIFHE-UHFFFAOYSA-N	401.397	5.232	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1	535615423	CUBKTDMHMXMWBB-MRXNPFEDSA-N	421.909	6.074	30	20	HKED	
C[S@@](=O)Cc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)ccc1Cl	537569839	IPHOGBHPQLZESN-GDLZYMKVSA-N	424.909	5.135	30	20	HKED	
C=CCOc1c(Br)cc(CN[C@@H](C)c2ccncc2CC)cc1OCC	540651271	SRDIXQZSPWOSKK-HNNXBMFYSA-N	419.363	5.221	30	20	HKED	
CCOC(=O)C1CCC(N(CC)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	549204888	SOZBQEAKUQAPBO-AOCRQIFASA-N	417.575	5.057	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1	555649688	WCLZMGMEIPDKIM-UHFFFAOYSA-N	421.497	5.593	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N2CCc3ccc(C#N)cc32)c2cnn(C(C)C)c2n1	555770105	BTLTWERDWMQOKS-UHFFFAOYSA-N	421.504	5.062	30	20	HKED	
C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](CCCC#N)c1ccccc1	559860821	ZMWXEMXLXZUQHI-JXFKEZNVSA-N	414.347	5.191	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)Nc3cnccc3-c3ccccc3)c2)c1	580125435	JTNGAEVTTOETKE-UHFFFAOYSA-N	405.457	5.452	30	20	HKED	
COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	583100714	VTODCDRRNLJTIZ-JTSKRJEESA-N	423.582	5.037	30	20	HKED	
N#CC1(CC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)CC1	590207390	XSGWISZJKZWKJG-UHFFFAOYSA-N	407.857	5.206	30	20	HKED	
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N(C)Cc2ccc(C#N)cc2)c1	603658502	UEJJAWXNUGFXTC-UHFFFAOYSA-N	401.514	5.014	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603691367	DTQXQFJQHPZWRL-UHFFFAOYSA-N	411.465	5.061	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1ccccc1OC	605364423	FAZIYVGYAKCLMD-INIZCTEOSA-N	418.522	5.648	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H]1c1cccc(F)c1	608638221	UECGXZDBXBICAY-LALPHHSUSA-N	412.349	5.192	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)o1	608963000	FEPCHEQMOMEBHU-UHFFFAOYSA-N	424.460	5.046	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	609209377	BAWZJLHHUSRVKI-UHFFFAOYSA-N	415.946	5.399	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	609428447	HEJUHELRXYWUTD-OAHLLOKOSA-N	420.513	5.147	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1	609430843	ZDTSDOMKZAZRJX-NSHDSACASA-N	404.322	6.121	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	609434297	QKYYXNBJPMYSHT-KRWDZBQOSA-N	401.466	5.584	30	20	HKED	
N#C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1cccc(C(F)(F)F)c1	609460400	JBQXGSVVHUDFSP-OAHLLOKOSA-N	421.831	5.477	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cnccc3Oc3ccccc3)cc2)nc1	609502651	UTKBLCQMXYSXSR-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1	610174819	FDSIYEMRRUYNAM-QGZVFWFLSA-N	423.582	5.451	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	610187000	VEFNZIOXYZFILC-PMAPCBKXSA-N	400.478	5.137	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)c1C	610233494	YNYQHVZHYZBHGI-CQSZACIVSA-N	412.415	5.122	30	20	HKED	
Cc1nc(-c2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cc2)cs1	610721837	OSPVCDXFHAHNQZ-UHFFFAOYSA-N	413.550	5.186	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1	615080392	CNJDTFMCIHIWBI-UHFFFAOYSA-N	414.505	5.084	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1	618750001	LERUKZOZPDEQNN-VWLOTQADSA-N	422.488	5.012	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	621010718	IHVTUPVZXQYKBH-FVQHAEBGSA-N	422.413	5.336	30	20	HKED	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	669729486	VKHOUYYPXMAPDZ-GHMZBOCLSA-N	416.337	5.352	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OC1CC1)c1nc2cc(C(F)(F)F)ccc2s1	672581887	OSWQSTIBBMOGQC-AWEZNQCLSA-N	402.397	5.346	30	20	HKED	
COC[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(Cl)c1F	672601574	LZNALWYHYXOSMN-BHDSKKPTSA-N	421.784	5.666	30	20	HKED	
O=C(N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1	674465572	NZMKIGUVCMYEQY-HUUCEWRRSA-N	411.361	5.227	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(Cl)c(C(F)(F)F)c2)S1	727264080	MBJSUJUZSSCSCU-OQLLNIDSSA-N	410.848	5.867	30	20	HKED	
CC(C)(C)c1ccc(CCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1	727627982	JXYMQBOTAIDINU-SFHVURJKSA-N	409.480	5.928	30	20	HKED	
CCc1ccc([C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	727954056	UCXDJNOULFNJGB-PGRDOPGGSA-N	412.489	5.492	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)ccc2s1	727954417	PNQDYXYDEHYRPW-AWEZNQCLSA-N	400.290	5.503	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(C)n1-c1ccc(C#N)cc1	728267269	GFWBACDMVPUUCZ-HXUWFJFHSA-N	424.504	5.127	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc34)CC2)cc1	728831166	ROGNGSLKCQZNJF-UHFFFAOYSA-N	423.472	5.050	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1	729520663	MLKAFONJSFUCHV-OAQYLSRUSA-N	409.411	5.411	30	20	HKED	
CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	730665240	VFKPIAZFJKVBKD-OAQYLSRUSA-N	407.876	5.798	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2c(F)cccc2s1	730993574	BJLCYYUCUGCINP-UHFFFAOYSA-N	424.444	6.317	30	20	HKED	
C[C@H](C#N)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1	731298510	JOHRNJDSMNSVAZ-QRQCRPRQSA-N	403.869	5.402	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1	731332321	IVECCDVBZWBCMQ-FWVUHSSSSA-N	402.519	5.895	30	20	HKED	
O=C(O)CCOc1ccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cc1	731939470	YTGWXEOQMXXOAJ-FYWRMAATSA-N	423.465	5.015	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Nc2ccc(OC)cc2)c1	733789524	OQRIRHGIFGGZMX-HXUWFJFHSA-N	415.493	5.050	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4ccc(Cl)cc34)n2)cc1	740542367	RKKLWGUHAHZTRE-GOSISDBHSA-N	421.909	5.372	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](CC(C)C)c3ccccc3)n2)cc1	741113351	QDONDUUOKPDKRD-NHCUHLMSSA-N	404.535	5.825	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1	741903835	WJIXBKAVSCCYIZ-VWLOTQADSA-N	412.489	5.152	30	20	HKED	
Cc1cc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)ccc1-n1cncn1	742435539	XTAMAXOZYUBGES-GZTJUZNOSA-N	416.481	5.051	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sccc2-c2ccc(F)cc2)cc1	743763323	BZFGXMLMHTZAEF-QHCPKHFHSA-N	412.489	6.462	30	20	HKED	
CC/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(C)cc1	745125438	ITIVKHLAIFKZGA-SWVCQTRFSA-N	422.550	5.365	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	749427273	XLOATFOCUIJZPM-JOCHJYFZSA-N	411.505	5.204	30	20	HKED	
CCSc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	752487752	KOHLHSCKPIRAPG-OAHLLOKOSA-N	414.502	5.619	30	20	HKED	
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	755617012	YXZVPLNIWBOWMQ-HVEPWOEZSA-N	403.463	5.307	30	20	HKED	
COc1cccc(C=NO[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)c1OC	757613892	MOXVJHGMCWZQDY-LLVKDONJSA-N	422.268	5.172	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)CCCCc3ccc(Cl)c(Cl)c3)CCO2)c1	762298437	LPNKSIGMQOJUGR-NRFANRHFSA-N	417.336	5.178	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)O[C@@H](c3ccccc3)c3nccs3)o2)cc1	770192445	PFQAGVMZNMIRFJ-NRFANRHFSA-N	416.458	5.133	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1	772639724	KKNZRTMHBRLDNE-QHCPKHFHSA-N	420.896	5.161	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCOc3ccc(Br)cc32)c1	772982059	CXVLZBCVJQXMRA-PXNSSMCTSA-N	415.331	5.134	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Br)c(F)c2)ccc1OC	772987402	UCNQQFZLWGWZGC-XJKSGUPXSA-N	421.310	5.129	30	20	HKED	
N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccccc2Cl)n1	774320340	OKGPOFMQJCBYKS-CYBMUJFWSA-N	404.825	5.033	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc1	778218994	XURWMXVFASZJSX-QKKBWIMNSA-N	417.322	5.510	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ccc(Oc4cnccn4)cc3)cc2)c1	779594805	PVPLWCNZZUCXAQ-UHFFFAOYSA-N	408.461	5.332	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C\c1nc(-c3cc(Cl)ccc3Cl)cs1)C2=O	788355693	JHLFPWNEUQMGPK-AWNIVKPZSA-N	412.301	5.596	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(F)c(Br)cc1Cl	799233265	HXMDPIYMRACYJW-VIFPVBQESA-N	412.646	5.176	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-c2cccs2)nc2ccccc12	804463931	FYJISDCMZORGEH-UHFFFAOYSA-N	418.518	5.267	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC(F)(F)Br	806230573	PUBFVLXIJXKEJB-UHFFFAOYSA-N	424.245	5.110	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1O	811594362	YCJSIWNAMZKKND-UHFFFAOYSA-N	420.440	5.373	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2ccccc2Br)cs1	812461927	FMJMOZNXAFLALX-UHFFFAOYSA-N	415.316	5.036	30	20	HKED	
O=C(Oc1ccccc1OCC(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F	812968399	MLBIYIQWIZGFJT-UHFFFAOYSA-N	400.221	5.144	30	20	HKED	
N#Cc1cc(-c2nc(C(c3ccccc3)c3ccccc3)no2)cnc1C(F)(F)F	815662465	PEOYXFHRAGNMTL-UHFFFAOYSA-N	406.367	5.202	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2ccc([C@@H](O)C(F)(F)F)cc2)c1	864044076	RPAYMPFYEWQPPA-JOCHJYFZSA-N	412.411	5.345	30	20	HKED	
C[C@@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)csc2C1	916884448	XWMBTVMCDLVRTC-IAQYHMDHSA-N	420.506	5.149	30	20	HKED	
Cc1ccc2c(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)coc2c1	916910202	RQWBXOOJUVYNDZ-NRFANRHFSA-N	424.456	5.424	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc3c2CCCC3)cs1	917551660	LVIRAZOFRIMHNC-UHFFFAOYSA-N	424.957	5.806	30	20	HKED	
COc1cc(/C=C2/CSc3ccc(Br)cc3C2=O)cc(Cl)c1O	920069524	RSABYLXNASQJHS-WMZJFQQLSA-N	411.704	5.189	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2cccc(F)c12	920141618	KPOQYOKRUNJIBI-OAHLLOKOSA-N	417.490	5.834	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3F)n2)cc1	920792464	QZQRVZVZMOQZRR-RDTXWAMCSA-N	421.497	5.424	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCCC3(F)F)CCC2)cc1	1791250501	RLUREGNYAQMDKG-KSFYIVLOSA-N	422.491	5.250	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccccc1	4285756	VGZRSAKTRRTPKW-UHFFFAOYSA-N	403.507	5.147	30	20	HKED	
C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccccc1C#N	5242878	VLYJNZBWSNMFJI-INIZCTEOSA-N	410.502	5.288	30	20	HKED	
C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1	18595891	SXYMLECPIGEKPL-SNVBAGLBSA-N	419.293	5.034	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C	106116281	WOXNQWCSCDONFQ-INIZCTEOSA-N	421.884	5.422	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1	108901579	FFHFMQGNDHNCTC-UHFFFAOYSA-N	420.469	5.057	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)cc1	303418912	XRQUAFWTDMOMDC-UHFFFAOYSA-N	417.387	5.026	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1-c1ccccc1	428201246	DQOUFLNFJFXLFA-UHFFFAOYSA-N	423.476	5.248	30	20	HKED	
CCCc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(C)cc1	428227289	IHZRZHUTISBKNU-UHFFFAOYSA-N	402.498	5.068	30	20	HKED	
C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)c2cc(C(F)(F)F)ccc2S1	429831672	ZNPUUOVHTYGQHN-CYBMUJFWSA-N	422.497	5.852	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cccc(SCC#N)c1	429941496	JZFHVNQARBSCNV-UHFFFAOYSA-N	416.506	5.507	30	20	HKED	
Fc1cc(F)c(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1F	430023044	NCNNKTMTFFRIJZ-UHFFFAOYSA-N	420.353	5.675	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cc(Cc3ccccc3)ccc2O)c1-c1ccccc1	430254320	BPYSWBXWNJXVBS-UHFFFAOYSA-N	422.488	5.012	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)[nH]c12	437379980	KWCLFGISIACJGU-GOSISDBHSA-N	410.408	5.309	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1	438851791	ZIJNSJSJVDQQKL-JKSUJKDBSA-N	422.476	5.096	30	20	HKED	
N#CC1CCC(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1	441029002	AGZBPAQAALJZRC-SEEARECTSA-N	421.385	5.328	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@@H]1CCN(CC)C[C@@H]1C)c1ccc(C(F)(F)F)cc1	442296394	MWAFYEOLYBMIDO-FFZOFVMBSA-N	411.512	5.084	30	20	HKED	
C=CCn1c(SCc2nc(C(F)(F)F)cs2)nc2cc(Cl)ccc2c1=O	443521769	NPKGYEVNOIBXET-UHFFFAOYSA-N	417.865	5.004	30	20	HKED	
C[C@@]1(c2ccccc2)CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1	446823337	LKGBDNODIZSECQ-AREMUKBSSA-N	424.504	5.006	30	20	HKED	
C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(C(C)C)cc1	460552968	BCBOBOAGWPZRSS-QHCPKHFHSA-N	401.558	5.305	30	20	HKED	
Cc1cnc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)s1	466117228	PMWPWZYJIXGEOD-FQEVSTJZSA-N	404.495	5.388	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C	468713623	HSFWENHEEXDVDX-KRWDZBQOSA-N	418.566	5.674	30	20	HKED	
CC(C)(COCC(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	468757989	AFMCBBGVDVUWHA-UHFFFAOYSA-N	422.859	5.037	30	20	HKED	
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(Cl)cc1C(F)(F)F	472308069	BRQBDFQAVGUXOL-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccccc1-c1n[nH]c(-c2ccccc2)n1)c1ccccc1	475022002	FKOHOGFCDXAGMP-HXUWFJFHSA-N	407.477	5.165	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	475306260	YRQAIIPAYOAYTD-UHFFFAOYSA-N	404.853	5.246	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)COc1ccccc1OCC(F)(F)F	476121355	GVWXYJZMBXIACC-UHFFFAOYSA-N	407.432	5.497	30	20	HKED	
N#CC[C@@H](CC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1	476344364	XVLRSHOHFJFVPH-FUHWJXTLSA-N	403.309	5.061	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)c2ccc(OC(F)F)cc2)nnc1-c1ccncc1	481336582	JXGDUVWPLWSUMZ-CQSZACIVSA-N	402.470	5.371	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c2)cc1	481941864	FGTAELSPKWPNDP-QFIPXVFZSA-N	418.518	5.233	30	20	HKED	
CC(C)N(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	482336450	VQYJGUIBYGMUCF-NSHDSACASA-N	410.280	5.377	30	20	HKED	
CCCc1c(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)cnn1-c1cccc(C#N)c1	482523547	GETUWHGEWYKQGE-UUOWRZLLSA-N	413.525	5.311	30	20	HKED	
C[C@H](SCc1ccc(F)cc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	488640296	IKHFXHXOEAXEMY-NSHDSACASA-N	411.483	5.662	30	20	HKED	
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)Cc1nccn1C(F)F	489250571	IVZKYIAVIZOSDX-VIFPVBQESA-N	401.301	5.509	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1cccs1	489388241	INXLHONWNXPFFZ-LLVKDONJSA-N	401.542	5.157	30	20	HKED	
C=C[C@H]1CCCCN1Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1	489477186	OEVFCBHWOOVKSX-HNNXBMFYSA-N	410.370	5.675	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2nc(C(F)F)sc2c1	490684258	MADYIQBMZHQHOA-WBVHZDCISA-N	412.465	5.538	30	20	HKED	
CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	497481401	QOGLFRCZICMLOP-LJQANCHMSA-N	405.420	5.360	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(Br)cc2Cl)c1	502703588	LJYADCNQMMARBC-UHFFFAOYSA-N	408.683	5.429	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c12	503981765	VRWRUQVVKUAYOK-UHFFFAOYSA-N	412.493	5.025	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	505449140	KQSCAQFDMZNYSX-LBPRGKRZSA-N	424.259	5.641	30	20	HKED	
COCCC[C@H](c1ccc(Cl)cc1)c1noc([C@H](C)Oc2ccc(C#N)cc2)n1	508668389	XSDMDUJASQGGDU-MGPUTAFESA-N	411.889	5.293	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cccc(C#N)c3C)C2)n1	511354119	AWVRNUSDLCMBPL-SFHVURJKSA-N	417.534	5.019	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2cccs2)C2CC2)cc1	511420489	DTBDMVBDJNCXSX-UHFFFAOYSA-N	417.534	5.590	30	20	HKED	
C=CCN(C(=O)CCc1nccs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	512302117	WHXNVKICFVWXKJ-UHFFFAOYSA-N	424.378	5.725	30	20	HKED	
N#CC1(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)CCCCC1	512988877	MHMHJPTVCPVNSA-UHFFFAOYSA-N	416.403	5.109	30	20	HKED	
Cc1ccccc1COc1ccccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	513187297	XRWWJCVSSQOBNQ-LJQANCHMSA-N	410.395	5.478	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)c(F)c1	513449933	CRSHEKQKTSWXMD-UHFFFAOYSA-N	408.260	5.079	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC2CCCC2)nc1	513670153	ULULKCUMEOLWNN-UHFFFAOYSA-N	414.465	5.023	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(CC)no2)nc2sc(-c3ccccc3)cc2c1=O	513956411	AVXRFGUIXCCWCD-CYBMUJFWSA-N	424.551	5.110	30	20	HKED	
COc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1	515366056	HUYJIPSGLSYLOA-QFIPXVFZSA-N	410.477	5.002	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1	516136190	YDJSZZYNUAXEGF-KKSFZXQISA-N	402.519	5.497	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4ccco4)sc3C)n2)cc1	516713847	KVTLWQKRLQRNCD-HNNXBMFYSA-N	421.503	5.334	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2n1	518127195	RUCFKWNOKGVFFY-CQSZACIVSA-N	408.552	5.063	30	20	HKED	
CCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc21	518516508	HWYYBOFSXWBMAB-GOSISDBHSA-N	401.491	5.283	30	20	HKED	
CCCc1c(NC(=O)N(C)c2cccc(SC)c2)cnn1-c1cccc(C#N)c1	518885996	YORWEDYVTDTNDB-UHFFFAOYSA-N	405.527	5.087	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(Cc2ccc(C)cc2)n1	519760083	QRUXTWVMWCUKEN-UHFFFAOYSA-N	408.571	5.038	30	20	HKED	
Cc1ccc(CCC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1	520938349	VNFXRGNIRIGBDE-FQEVSTJZSA-N	421.610	6.266	30	20	HKED	
N#Cc1ccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1	522943654	YMLSKARUMISKFZ-RGEXLXHISA-N	405.457	5.116	30	20	HKED	
C=CCN(C(=O)c1ccc(-c2ccsc2)nc1C)c1nc(-c2ccccc2)cs1	523867877	ANBLYYDAECHPTR-UHFFFAOYSA-N	417.559	6.075	30	20	HKED	
N#C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(OCc2ccccc2)cc1	524333696	NNHRUWCYZNOXRU-SANMLTNESA-N	423.516	5.451	30	20	HKED	
C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](c2ccc(F)cc2)O1	525603746	CFGHACOAMRTWPH-MZNJEOGPSA-N	415.468	5.043	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1Br	533619189	FZSUXMIOCQHPDZ-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
N#CC1(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CCSCC1	533751150	HLUGNMAOEYOSKZ-UHFFFAOYSA-N	407.322	5.305	30	20	HKED	
N#CC1(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)CCSCC1	534585264	RBJKXESHSIOHLX-UHFFFAOYSA-N	422.575	5.385	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cn1c(C2CCCCC2)nc2ccccc21	534905040	JROZZGRBHZYGTP-UHFFFAOYSA-N	418.566	5.728	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1	538393269	SLPOEQVFQDLMJV-GOSISDBHSA-N	416.594	5.305	30	20	HKED	
N#Cc1cccc(-c2cnc(CNC(=O)c3ccccc3Sc3ccccc3)[nH]2)c1	539883849	MUYQLXAJJXLCDB-UHFFFAOYSA-N	410.502	5.030	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	540059063	BXPZEKRLNQJNTF-SFHVURJKSA-N	416.546	6.256	30	20	HKED	
Cc1c([C@@H](C)N[C@@H](CCC#N)c2ccccc2)nnn1-c1cccc(Br)c1	540147982	RAMVZXPAFZPYRW-QRWLVFNGSA-N	424.346	5.034	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C	540409417	YTSFKFQZSYPUJS-QFIPXVFZSA-N	415.497	5.368	30	20	HKED	
Cc1nc(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)oc1-c1ccc(Cl)cc1	542004529	OEEJXWRQXGJFAF-UHFFFAOYSA-N	424.291	5.626	30	20	HKED	
CCN(Cc1ncc(Br)cc1Br)[C@H](C)c1ccc(C#N)cc1	542518947	MRNARFDLDBASAK-GFCCVEGCSA-N	423.152	5.061	30	20	HKED	
C[C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(-c2cccc(C#N)c2)cc1	543855519	AWRFJSJDQAFNPL-GOSISDBHSA-N	420.472	5.299	30	20	HKED	
CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F	551533664	DXBTZSCFWYDXHN-QFIPXVFZSA-N	409.411	5.012	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1	553184251	AJRVCBLVYWEPEO-HXUWFJFHSA-N	421.928	5.606	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1nccs1	555255402	JROVDFJFEBLIAZ-KRWDZBQOSA-N	419.554	5.240	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ncc(-c2cccnc2)s1	561016548	IFJWGIUYVHNHOT-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
CCN(Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1)C(C)C	571697645	DKLHSHILHGZYPG-UHFFFAOYSA-N	414.509	5.228	30	20	HKED	
Cc1ccnc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12	574095549	HWZNIMPWPSHZQF-OAHLLOKOSA-N	405.429	5.435	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)Nc1ccccc1	607434001	QLVVFOHOHXMAAI-NRFANRHFSA-N	420.472	5.677	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nc(C)cs1	609208210	ITQHMZKCOJIUOW-SFHVURJKSA-N	422.510	5.397	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1	609286945	AIUOGDNNIKAIFL-MRXNPFEDSA-N	402.306	5.420	30	20	HKED	
CC[C@H](C)N(Cc1ccccc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	609747471	XYRDYXSJKJIMLZ-BVVFMGSASA-N	405.542	5.259	30	20	HKED	
CCc1ccc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	609928159	ZEHBCALXTNJLRU-UHFFFAOYSA-N	413.521	5.258	30	20	HKED	
CC[C@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccs1	610093778	WKLHTWZMQNZYMZ-AVRDEDQJSA-N	424.957	5.899	30	20	HKED	
CN1CCC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[C@H]1c1cccs1	610180676	LXOCMEROFWZNKM-DVECYGJZSA-N	415.562	5.100	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCC(F)(F)C3)cc2Cl)c1	610792541	KODAAXMRXNPTDT-INIZCTEOSA-N	405.832	5.100	30	20	HKED	
Cn1c(SCc2cccc(C#N)c2)nc2scc(-c3ccccc3Cl)c2c1=O	612646101	OLGLMSQQPDYZGK-UHFFFAOYSA-N	423.950	5.479	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)cc3C)n2)cc1	613318285	UICUBACQPIFOFF-QGZVFWFLSA-N	411.324	5.680	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1	613320426	YTZMZSQFFVMLLF-AWEZNQCLSA-N	404.825	5.555	30	20	HKED	
CC(C)(C#N)c1ccc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1	614164710	TZTDAHCUOWVITI-JOCHJYFZSA-N	407.945	5.089	30	20	HKED	
C=CCN(C(=O)CCc1cnn(C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	614536148	HHTVEHJSMGSFGK-UHFFFAOYSA-N	421.353	5.002	30	20	HKED	
N#Cc1ccc(CNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1Cl	619754365	ZOYGWIZJOXMBOA-UHFFFAOYSA-N	422.897	5.081	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCC1	642157352	GZONFMXIKRMLPS-CHWSQXEVSA-N	411.361	5.273	30	20	HKED	
N#C[C@H](C(=O)c1cc(Br)c2ccccc2c1)c1nccc2ccccc12	645972845	RCQZDYOSUFANPI-IBGZPJMESA-N	401.263	5.641	30	20	HKED	
C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(F)(F)CC1	670203090	GSRYJTVHRFKRFI-UHFFFAOYSA-N	415.513	5.189	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nccn2-c2ccccc2)nnc1-c1cccc(OC)c1	672362530	KDCGUEGMXQNXEX-KRWDZBQOSA-N	417.538	5.179	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccc2ccccc2n1	676103616	DOQZEFYZFPGOOA-CYBMUJFWSA-N	419.200	5.506	30	20	HKED	
CC(=O)Nc1ccc(C)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	682010986	JFRRTCIEDYBUNE-HNNXBMFYSA-N	417.412	5.072	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728062006	GFKHXDYFYKPAIK-QGZVFWFLSA-N	419.912	5.538	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ccc(F)cc1F	728062162	GVWBCTDOGIKBGK-INIZCTEOSA-N	421.447	5.163	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCCc5nc(C)sc54)c23)cc1	730947507	UZDLTZYNXGOHEX-UHFFFAOYSA-N	421.551	5.284	30	20	HKED	
Cc1c(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)cnn1-c1cccc(Cl)c1	731565395	NOAOHSLNMKAQEL-ZHACJKMWSA-N	400.869	5.187	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cccc(Oc3ccncc3)c2)cc1OC	732640550	CGEZLFROOQEUHZ-CSKARUKUSA-N	402.450	5.099	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(Cc2cccc(C(F)(F)F)c2)C(C)C)c1=S	746043784	CCZPHFZHWAGCKG-UHFFFAOYSA-N	410.509	5.364	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2)c2ccccc2c1=O	746056110	TYPUGUXPVRZHPC-UHFFFAOYSA-N	422.532	5.051	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCCC2)cc1	746829476	LDZVPOVGVAHTOG-VWLOTQADSA-N	410.517	5.801	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1	748587969	GBIGZLCXJKVEEW-JOCHJYFZSA-N	416.550	5.477	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	750203535	JFPRNBHUNKRBBX-NSHDSACASA-N	403.225	5.400	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1C#N	752308072	NIPGKKAVBKDVPI-CQSZACIVSA-N	406.442	5.098	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@@H](C)C(C)(C)C#N)c(OC)c1	753629466	TWJZGOLEGRANGT-INIZCTEOSA-N	420.509	5.266	30	20	HKED	
CC(C)(CCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1	754530118	CAXUMUUCQUFMGZ-SFHVURJKSA-N	416.493	5.407	30	20	HKED	
C=CCN(C(=O)c1ccc(C)nc1Br)c1nc(-c2ccccc2)cs1	756487000	LLUJYCTYUJCJKC-UHFFFAOYSA-N	414.328	5.109	30	20	HKED	
C=C[C@@H](CC(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccccc1	758920537	MZRFAAMUKRDITD-KRWDZBQOSA-N	415.449	5.103	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	760196308	OIVJTVAIIKITFK-FQEVSTJZSA-N	418.518	5.438	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccccc2C)c1=S	764903049	WPSGFHDBMRCPME-NRFANRHFSA-N	405.571	5.155	30	20	HKED	
CCc1nc2ccccc2n1N=Cc1csc(-c2cccc(Br)c2)n1	767373149	KLYXBTZLJKCWPS-UHFFFAOYSA-N	411.328	5.367	30	20	HKED	
CCCC[C@@H](ON=C(C)C)C(=O)Oc1ccc(NC(=O)c2sccc2C)cc1	767957746	ZPWYZJRIOBWWSU-GOSISDBHSA-N	402.516	5.185	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1CCCc2sccc21)c1nc2cc(C(F)(F)F)ccc2s1	771578965	SNQVASZSNUMMRO-OLZOCXBDSA-N	406.454	5.673	30	20	HKED	
Cc1noc(C)c1-c1csc(=Nc2ccc(C#N)c(Cl)c2)n1CCCCC#N	771915700	XYKIGQQZZLSOIR-UHFFFAOYSA-N	411.918	5.273	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1C#N	772148200	MVKXTOOBRLTVAJ-UHFFFAOYSA-N	413.449	5.084	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(Cl)ccc2OC(F)F)ccc1OC	772987103	RUJYFDVMDBRYDS-CJNGLKHVSA-N	424.875	5.482	30	20	HKED	
N#CCCCn1cc(C(=O)Oc2ccc(-c3noc(C4CC4)n3)cc2)c2ccccc21	774077582	FAQFHAHVBJTZLC-UHFFFAOYSA-N	412.449	5.092	30	20	HKED	
CCN(C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1ccc(C#N)c(Cl)c1	774147414	IDTUMDXJPBBPJN-UHFFFAOYSA-N	417.868	5.364	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)c1ccc(C#N)c(Cl)c1	774156745	PHCDADUTYADAND-UHFFFAOYSA-N	413.905	5.534	30	20	HKED	
CN(C)[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1c(F)cccc1Cl	778606525	GRSQFJAMVYLBMQ-DIFFPNOSSA-N	422.312	5.221	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1O[C@H](C)C#N	780149415	IKAMHAUUPBAVAN-LJQANCHMSA-N	422.488	5.391	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1	780161995	HYPVFFADVKFPRB-AOMKIAJQSA-N	406.869	5.390	30	20	HKED	
C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(NC(=O)c2ccccc2)cc1	781461680	BUNHPDTZVVQTNX-SFHVURJKSA-N	410.473	5.147	30	20	HKED	
N#C[C@@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nc2ccccc2s1	784489353	SNGJIGWITRAUHW-HNNXBMFYSA-N	416.424	5.394	30	20	HKED	
C=C[C@H]1CCCCN1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	785784589	FDCGOLBZIZPMBO-AWEZNQCLSA-N	413.440	5.625	30	20	HKED	
CC[C@H](NC(=O)[C@H](C#N)C(=O)/C=C(/C)c1ccccc1C(F)(F)F)c1ccccc1	787032653	DNGBWHIEFKJULO-YQNZKAKWSA-N	414.427	5.085	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1	789450000	BAHULUDJIIDFKZ-KRWDZBQOSA-N	407.514	5.378	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1cnc2ccccc2n1	792109010	NHQZWJLCHHTQLF-BXKMTCNYSA-N	413.477	5.479	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3ccc4c(c3)OCO4)n2)cc1	796764780	QHDDCSUDOJPCCZ-QGZVFWFLSA-N	404.491	5.001	30	20	HKED	
C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cc(Br)cc(Cl)c1O	800991058	XJWJLKABSBAXAW-SECBINFHSA-N	400.103	5.184	30	20	HKED	
O=C(c1ccc(C2SCCS2)cc1)N(O)Cc1cc(Cl)cc(Cl)c1	901379783	OOQYEZHMFISWHM-UHFFFAOYSA-N	400.352	5.504	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	915104760	LDVFDMDGYPZEJV-CMPLNLGQSA-N	424.831	5.612	30	20	HKED	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CS(=O)(=O)c2ccccc21	916154423	JQBWITOFPBTWTD-UKTHLTGXSA-N	419.285	5.307	30	20	HKED	
N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccccc1Cl	916911234	VAMUORHEQABJJS-AWEZNQCLSA-N	411.914	5.010	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccccc3F)o2)cc1	916955128	MYDGVCFKTSEQMJ-BEFAXECRSA-N	404.441	5.560	30	20	HKED	
CCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046145	GFWAHEOTCLITQR-KRWDZBQOSA-N	410.926	5.742	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1	918041227	QQGMBWHRBJNRJT-UHFFFAOYSA-N	405.542	5.311	30	20	HKED	
Cc1sc2ncn(N=Cc3c[nH]c4cc(Cl)ccc34)c(=O)c2c1-c1ccccc1	918709453	LADPNBTYSWTLCB-UHFFFAOYSA-N	418.909	5.450	30	20	HKED	
COc1cccc2c1OC/C(=C/c1csc(COc3ccc(Cl)cc3)n1)C2=O	920066731	WGKOMGOJNALVSG-LCYFTJDESA-N	413.882	5.043	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc2nc(O)oc2c1	1658626612	RRSAWOAYAOIUFD-AWEZNQCLSA-N	414.421	5.080	30	20	HKED	
C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1	1822393985	LEABAGWOXZADHD-HXUWFJFHSA-N	414.594	5.202	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1	6096783	PVPDXIXKFJXPDZ-CYBMUJFWSA-N	416.909	5.043	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1ccc(OC)cc1	26194662	PGQKGHSHWVORRX-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(NC(=O)CCC)cc1	46848911	GDUVWPZRHNXAOA-UHFFFAOYSA-N	405.951	5.038	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-]	56800370	MCMNOMROFZDWBL-UHFFFAOYSA-N	416.437	5.231	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2cc(Br)ccc2o1	303247053	AYDRXPRUJHWHHV-GFCCVEGCSA-N	415.312	5.699	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(COc2ccccc2)CC1	303397993	QCUHNCYOBJYAMC-GOSISDBHSA-N	409.555	5.261	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1	409765383	SGAKZKXUFFWUHN-NRFANRHFSA-N	410.832	5.118	30	20	HKED	
COc1ccccc1-c1ncc(CNc2ccc(Oc3ccccc3)c(C#N)c2)cn1	427265626	DGXOZJPMVWZAGS-UHFFFAOYSA-N	408.461	5.428	30	20	HKED	
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@@H]1c1cccc2ccccc12	432483571	PVPOKPXFSUMDSM-XMMPIXPASA-N	411.505	5.184	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	433012556	LBCVZYVTXNFYCX-QGZVFWFLSA-N	410.732	5.610	30	20	HKED	
N#Cc1c(NC(=O)C2CCC(C(F)(F)F)CC2)sc2c1-c1ccccc1CC2	435558279	VMSMIASRSWCVGN-UHFFFAOYSA-N	404.457	5.693	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nccc3ccccc23)cc1F	438661286	QOXFHSCRPCCAOF-UHFFFAOYSA-N	412.424	5.360	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(C2CC2)n1-c1ccccc1	439110553	ZBHOJYUKENGVLM-UHFFFAOYSA-N	423.423	5.133	30	20	HKED	
Cc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cccc1C(=O)Nc1ccccc1	439366314	ASOQXQRIYMOHTA-HSZRJFAPSA-N	412.493	5.414	30	20	HKED	
Cc1sc(Br)c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1C	441298064	UQYFHVOADWDEDI-OAHLLOKOSA-N	405.361	5.420	30	20	HKED	
C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(SC)c1)c1ccc(C(F)(F)F)cc1	442056041	LEOVXDPGAVLLGU-GOSISDBHSA-N	422.472	5.190	30	20	HKED	
Cc1cccc(CN(Cc2ccccn2)C(=O)c2cn(CCCC#N)c3ccccc23)c1	444095275	LTPWDGDXAGDTRV-UHFFFAOYSA-N	422.532	5.491	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)o2)cc1	445999730	XTKZGWRKCYKOSQ-RTBURBONSA-N	412.415	5.053	30	20	HKED	
C[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Br)s1	463351126	ZLTVKFBJGAXEGN-AWEZNQCLSA-N	411.324	5.048	30	20	HKED	
Cc1ccc(-c2nc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)cs2)cc1	468976861	NBQWGVWGIZSRIF-UHFFFAOYSA-N	416.550	5.314	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1c(F)cccc1F	469065187	XBIPLBUWYMAULO-HNNXBMFYSA-N	420.444	5.073	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C#N)CCc1ccccc1	469660589	YGXCEAHDRKYBPP-QHCPKHFHSA-N	409.489	5.157	30	20	HKED	
Cc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccccn2)cc1	472500443	MYLYSBCPQKPBTL-VWLOTQADSA-N	412.537	5.219	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCc1c(F)cccc1Cl	476941348	KGZCCRHNOJPVIW-CQSZACIVSA-N	422.978	5.788	30	20	HKED	
C=C1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CC1	477445669	HCLINKFCDHJMRF-UKHBAXEESA-N	409.414	5.287	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)c3cc(Cl)ccc3C#N)c12	479561850	GKKMVYYXVJLNKC-UHFFFAOYSA-N	420.856	5.408	30	20	HKED	
N#Cc1cc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)ccc1OCC(F)(F)F	481882209	XDGNLECGFPNFGP-UHFFFAOYSA-N	411.742	5.025	30	20	HKED	
N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cnc2ccccc2n1	483190492	DCNVTVYTCGEEOR-QGZVFWFLSA-N	421.485	5.034	30	20	HKED	
CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F	485064398	DINLNXAYUYAGTP-MJGOQNOKSA-N	420.406	5.683	30	20	HKED	
Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)o2)cc1	488504453	LIURAGJERUQOGQ-OAHLLOKOSA-N	424.551	5.028	30	20	HKED	
COc1ccc(-c2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)cc1	488775990	DAMAABNRXHMFES-UHFFFAOYSA-N	407.442	5.396	30	20	HKED	
Cc1nc(C(F)(F)F)c(C[S@](=O)Cc2cc(F)c(C(F)(F)F)cc2F)s1	488776157	XUVJWJWOCJAFEK-AREMUKBSSA-N	423.350	5.216	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F	490847513	UXUXEUPNSQUJAH-HXUWFJFHSA-N	412.415	5.041	30	20	HKED	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(C#N)cc1Cl	494637321	NSKNIQGRTDUOOO-UHFFFAOYSA-N	413.861	5.225	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1CCC(C)C	495195165	USLWSSBETUIQAB-GOSISDBHSA-N	422.554	5.114	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1	498043678	HTCNONFHERSITD-SFHVURJKSA-N	411.505	5.283	30	20	HKED	
CCc1c(C)nn(-c2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)c1C	499723840	GMJUMFOKMAEYKA-INIZCTEOSA-N	418.566	5.698	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1OCC	499844782	WHNSDJOUVHCDRQ-KRWDZBQOSA-N	407.297	5.176	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc3ccccc23)cc1C	500987687	GFYQPRNPZCRFGG-UHFFFAOYSA-N	408.505	5.164	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccccc2)nc1	503053146	KGFGMEXUESRLND-UHFFFAOYSA-N	414.509	5.113	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](c2ccccc2F)C1	504059679	VPSBHWGGHHFSJF-IBGZPJMESA-N	415.468	5.820	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cs1	504111386	FFFJAEOVUMGMJY-HNNXBMFYSA-N	404.539	5.802	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1	505310513	KPCUKJUCBANEIO-NSHDSACASA-N	422.710	5.256	30	20	HKED	
COc1cccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)c1	509100498	ZTDQVJRIHYWEDC-UHFFFAOYSA-N	414.461	5.038	30	20	HKED	
CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCSc2ccc(Br)cc21	510020102	JWYRGMAUFJKNJR-QGZVFWFLSA-N	416.344	5.216	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(Sc4ccccn4)o3)ccc21	513118094	XWKJIWVAUOJRMP-UHFFFAOYSA-N	418.522	5.021	30	20	HKED	
Cc1c(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)cccc1[N+](=O)[O-]	513202796	YJCJTSMTPCBGSB-INIZCTEOSA-N	416.437	5.006	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1	513868771	ANMBGXOYZQZMTJ-UHFFFAOYSA-N	418.497	5.099	30	20	HKED	
COc1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1	513873528	ZIFZBAAHIMXJRA-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
COc1ccc(-c2cc(NC(=O)N(C[C@H](C)C#N)C3CC3)ccc2OC(F)F)cc1	513899253	YZCBNCJICAFTME-CQSZACIVSA-N	415.440	5.120	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2noc3c2CCCC3)cc1Cl	514109994	XVCSLLJTVCXIRF-IBGZPJMESA-N	420.900	5.184	30	20	HKED	
Cc1nc(C)c(C#N)c(S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)n1	514525438	AJIBFMWCVBLFNU-INIZCTEOSA-N	409.342	5.027	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	517511711	NEALZKLEWKWJCO-MWTRTKDXSA-N	411.461	5.197	30	20	HKED	
Cc1ccc([C@@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)N2CCCC2)cc1	519450846	KXQVBOBMOQWKCD-SIKLNZKXSA-N	422.598	5.205	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1	519873076	OFYQHZZYZKCWAR-HSZRJFAPSA-N	403.913	5.337	30	20	HKED	
CCc1ccc([C@@H](C#N)NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1	520456842	ZALSGSOZAZUEIJ-OAHLLOKOSA-N	401.944	5.011	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1	520811084	DVPIIQKTXQNXJS-UHFFFAOYSA-N	416.521	5.632	30	20	HKED	
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1	521636689	GZTKESROJLHBKC-YADHBBJMSA-N	414.461	5.110	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1	522075180	UITWMHQABGPXLY-UHFFFAOYSA-N	404.297	5.377	30	20	HKED	
C=CCCCCCN(C)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1	524612208	RJXNDJIGVFDGIA-UHFFFAOYSA-N	411.512	5.058	30	20	HKED	
COCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	525659981	YORQKZOFARURCT-UHFFFAOYSA-N	418.518	5.053	30	20	HKED	
C=CCN(C(=O)c1cc(-c2ccc(Cl)s2)on1)c1nc2c(s1)CCCC2	531258333	QPTPMGPHTRVYIT-UHFFFAOYSA-N	405.932	5.225	30	20	HKED	
C[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@H]1c1ccccc1	532576441	BDTWJUUFDNHRPT-SFHLNBCPSA-N	407.583	5.002	30	20	HKED	
N#Cc1ccc(CN[C@H](c2cccc(F)c2)c2cccc(Br)c2)s1	537319911	WJFXCSSKHDYUKD-IBGZPJMESA-N	401.304	5.401	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)nn1CCC#N	539715587	ZQPINHZPYQOHRX-VWNXMTODSA-N	413.525	5.088	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1	542005916	HUGCWDOIJCYYLG-CYBMUJFWSA-N	418.353	5.580	30	20	HKED	
CCN(CC(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2	542579619	GQBMPFZEMWHIBH-CVWDYBRWSA-N	421.372	5.222	30	20	HKED	
N#C[C@@H](C(=O)c1ccnc(SCC(F)(F)F)c1)c1nc(-c2ccccc2)cs1	542649755	XTACWFHRUUHCGK-AWEZNQCLSA-N	419.453	5.350	30	20	HKED	
C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-c2cccc(C#N)c2)cc1	542943354	KWBNGNWYQJWWQW-INIZCTEOSA-N	414.896	5.040	30	20	HKED	
C[C@@H](NC(=O)N1CCC(C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543016568	FSKKXCYIWZVOAU-OAHLLOKOSA-N	401.432	5.270	30	20	HKED	
Fc1cccc(F)c1-c1csc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)n1	543444995	PPKTWAPAICHHGT-UHFFFAOYSA-N	416.337	5.405	30	20	HKED	
N#Cc1ccc(Cc2cnc(NCc3csc(COc4ccccc4)n3)s2)cc1	543679166	APODJXHRQYXXOU-UHFFFAOYSA-N	418.547	5.253	30	20	HKED	
CO[C@@H](c1cccc(Cl)c1)c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1	545058890	VROYWRCVRRUTON-FQEVSTJZSA-N	418.840	5.185	30	20	HKED	
N#Cc1ccc(CSCc2nc(Cc3nc4cc(Cl)ccc4s3)no2)cc1	547012258	OHCYKCSCOJXYTR-UHFFFAOYSA-N	412.927	5.229	30	20	HKED	
N#Cc1ccc(Oc2ccc(-c3nc(-c4cccc(-c5cscn5)c4)no3)cc2)nc1	547266733	QYMDSBXAMRODRZ-UHFFFAOYSA-N	423.457	5.586	30	20	HKED	
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1	550826467	GITARGLVXKRZQT-HFZDXXHNSA-N	424.548	5.999	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c(C)c2c1	555670695	FOPHMFITRRAFKM-CYBMUJFWSA-N	420.534	5.573	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)c1ccccc1Sc1ccccc1C#N	557470529	MTMRYDIYIVGVEJ-UHFFFAOYSA-N	401.535	5.199	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@@](C)(C#N)C3CCCCC3)cc(-c3cccs3)nc21	557898741	DWRKFQURICFBAR-QHCPKHFHSA-N	421.570	5.333	30	20	HKED	
C[C@@H](N[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccc(C#N)cc1	558742402	NHLYNSHFUKSDKP-QZTJIDSGSA-N	414.940	6.021	30	20	HKED	
C[C@@H](C#N)CN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1	560572832	DGOBTEHLYJQECN-AWEZNQCLSA-N	402.325	5.370	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCCC(F)(F)C2)cc1	560953865	BCZPMQMBRPICAM-IBGZPJMESA-N	414.521	5.796	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C3CCOCC3)CC2)cc1F	562533645	YESKCDWLKJIBDB-UHFFFAOYSA-N	423.488	5.160	30	20	HKED	
N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc2oc3ccccc3c2c1)c1ccccc1	578892740	VNBSHQDAVFCGJO-OAQYLSRUSA-N	411.461	5.076	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cc3ccccc3[nH]2)c1	581273745	WPFXPIJBNIDHPQ-UHFFFAOYSA-N	401.853	5.415	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	589363815	RFKLKWKSVVQNFV-INIZCTEOSA-N	402.454	5.027	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	604085923	FNADZGHYUNQVRD-UHFFFAOYSA-N	402.429	5.105	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1csc(-c2ccccc2)n1	604656961	NEAVTTAGJPAMLI-UHFFFAOYSA-N	403.960	5.423	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)nn1	606146268	MMDUCCPQQPHMBP-INIZCTEOSA-N	419.897	5.282	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1Cc2ccccc2S1	609061598	QBGINPDIZTUHDV-QHCPKHFHSA-N	400.503	5.101	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)cn2)cc1	609139818	XTYQOJRFAMUWSX-XMMPIXPASA-N	421.460	5.052	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1	609398265	OWOIQSIQJRDFMX-UONOGXRCSA-N	422.381	6.470	30	20	HKED	
C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1	609994830	YYWOSUJICHVRAD-RBBKRZOGSA-N	416.569	5.028	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cc3ccccc3o2)cc1	610066274	VLQVWNDYRFJPHQ-UHFFFAOYSA-N	412.514	5.569	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ncc(-c2ccccc2)o1	610095307	PQNHEMVJLLANHH-QGZVFWFLSA-N	424.460	5.888	30	20	HKED	
COc1cccc(Cl)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	610224613	VLTWSHMDAGDHAX-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	610240184	QGNZOSKDPLOORR-MEDUHNTESA-N	400.322	5.209	30	20	HKED	
N#Cc1c(NC(=O)CCCc2ccc(Br)s2)sc2c1CCCC2	610420781	SJIQQUMBISBRBX-UHFFFAOYSA-N	409.374	5.284	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCCc1cccc(Br)c1	610756507	JDKJFDQKTQMDAW-UHFFFAOYSA-N	403.345	5.416	30	20	HKED	
C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(OCc2cn3ccccc3n2)c1	618807792	WRHUOJIKRWUPJW-IQGLISFBSA-N	408.505	5.123	30	20	HKED	
C[C@@H](c1ccc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1)C(F)(F)F	622355143	RRSRVXWHUMMLGQ-JTQLQIEISA-N	424.316	5.279	30	20	HKED	
COc1cc(F)c([C@@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC	675737865	KDCNCZZKJFPKRI-WYUUTHIRSA-N	417.365	5.403	30	20	HKED	
Cn1ccc([C@@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2)n1	679768861	VQZFFXDBNYVBPN-SHFYGJNESA-N	423.376	5.148	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1	727589171	LSFBJMZNARXUAX-DNQXCXABSA-N	415.468	5.087	30	20	HKED	
Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1	727979187	SPLQIOLHUGDKRN-UHFFFAOYSA-N	421.953	6.216	30	20	HKED	
Cc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C	728175172	KVEWYDRWRMXOAK-UHFFFAOYSA-N	405.498	5.702	30	20	HKED	
COc1cc(C(C)=NNc2ccc(Br)cc2F)ccc1OC(F)F	728433240	ZAWSTBYKQRWOPB-UHFFFAOYSA-N	403.198	5.034	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc2cc(F)ccc2s1	730422492	SGPUCFUEGSLDRW-RFMMKKFCSA-N	424.806	5.997	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	730988929	FIPOLYDZLPPQNI-INIZCTEOSA-N	424.526	5.089	30	20	HKED	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	731400183	LVZUOTCNCAMWDC-HNNXBMFYSA-N	421.488	6.154	30	20	HKED	
CN(Cc1ccc(OCC#N)cc1)[C@H]1CCSc2ccc(Br)cc21	731445866	GTSBDZDSEWGAKU-SFHVURJKSA-N	403.345	5.020	30	20	HKED	
O=C(O)CCOc1cccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)c1	731938419	PYSFDBAUGWVWLJ-NTCAYCPXSA-N	423.465	5.015	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)OCc2coc(-c3ccc(Cl)cc3)n2)c1	732397191	OEMFYMHDFXVSGQ-UHFFFAOYSA-N	410.857	5.159	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)ccc1OC	733276559	FYYJPHOCIHGVJU-LJQANCHMSA-N	419.525	5.085	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c1	733802081	WJXYGZWVAMWRTC-CJNGLKHVSA-N	406.313	5.235	30	20	HKED	
O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(C[S@](=O)c3ccccc3)c2)c1O	734366270	LAPJRQXCLNRQSM-NDEPHWFRSA-N	414.870	5.012	30	20	HKED	
COc1cc2c(cc1NC(=O)CS[C@H](C)c1ccc(C#N)cc1)oc1ccccc12	735675578	LGSCMAAQQJWVQP-OAHLLOKOSA-N	416.502	5.899	30	20	HKED	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	735742895	KHWSPBYMBHIUQM-ACIOBRDBSA-N	405.542	5.305	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)COC(=O)C2(c3cccs3)CCCCC2)c1C	738702859	NWHXNVSCKODHRQ-UHFFFAOYSA-N	424.566	5.057	30	20	HKED	
CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(C)C	741820681	RQFOQOGTFGGCQA-GOSISDBHSA-N	424.566	5.041	30	20	HKED	
CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)s1	744034617	CSKBPDRCMQZWSD-URWSZGRFSA-N	401.944	5.593	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(SC(F)F)cc1	745694380	GQNNNDUUXGJQAF-UHFFFAOYSA-N	405.539	5.728	30	20	HKED	
COc1ccc([C@@H](C)C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	747631357	KHWLLXHJCMXLAX-ZDUSSCGKSA-N	415.419	5.158	30	20	HKED	
CCCCOc1ccc(C=NO[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1OC	748098036	VYCRFWIDTLMLHY-QGZVFWFLSA-N	409.486	5.344	30	20	HKED	
O=C1/C(=C\c2cccnc2Cl)CC2(CCOCC2)C/C1=C/c1cccnc1Cl	751518661	XXVONWLOYYHWOE-WHYMJUELSA-N	415.320	5.410	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cc([N+](=O)[O-])ccc1F	752880893	ILPUIAQUIGJOCB-DHZHZOJOSA-N	424.815	5.536	30	20	HKED	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	760197395	WQFZKRPSKKQUFT-RDTXWAMCSA-N	408.910	5.549	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1=S	764880642	XCYXJFCDIPOVDO-LJQANCHMSA-N	411.962	5.110	30	20	HKED	
CN(CCC#N)c1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1	767422307	QGLUIBLMEOTOMJ-DEOSSOPVSA-N	404.945	5.158	30	20	HKED	
C=C(C)[C@H](NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1	772340160	UIMALQVKTJGINM-NRFANRHFSA-N	416.468	5.288	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)c1	775410871	UDUUDNJFFIKJGA-RDPSFJRHSA-N	421.585	5.213	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)cc1	777302531	OPVFVOJYEOODFR-QRWLVFNGSA-N	418.880	5.050	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)NCc2ccc(C#N)cn2)c2cccs2)cc1	780194515	KNQXCAXSDUPKRV-AOMKIAJQSA-N	404.539	5.117	30	20	HKED	
COC[C@H](C#N)OC(=O)c1oc2ccccc2c1CSc1ccccc1Cl	785242681	FGEMYUUTSIYUTB-ZDUSSCGKSA-N	401.871	5.074	30	20	HKED	
N#CCCn1cc(/C=C\C(=O)c2sccc2Br)c(-c2ccccc2)n1	788348178	FMJIFSWZZMVXFX-FPLPWBNLSA-N	412.312	5.184	30	20	HKED	
O=C1CC[C@H](C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2ccccc21	791035339	SRASCXFKGJXLSR-JTQLQIEISA-N	420.280	5.065	30	20	HKED	
CCCNc1ccc(C#N)cc1NCc1nnc(-c2c(Cl)cccc2Cl)o1	795266642	OARRMVIUHFGVPR-UHFFFAOYSA-N	402.285	5.349	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(C2CCC2)c1	798817515	YUAFVIJAVAJBID-GOSISDBHSA-N	400.450	5.230	30	20	HKED	
COc1cccc(CC2(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)CCCCC2)c1	813211114	DMDTZTBEFGBSQT-IBGZPJMESA-N	416.443	5.478	30	20	HKED	
COc1ccc(-c2cc3nc(/C(Cl)=C\c4cccc(C#N)c4)[nH]c(=O)c3s2)cc1	834811121	ONCXJHUZOPEJPZ-LICLKQGHSA-N	419.893	5.269	30	20	HKED	
CCOc1c(Br)cc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1OC	861416241	MVQAZESNFGJELS-MDWZMJQESA-N	421.262	5.044	30	20	HKED	
CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cc(C)c2cc(C(C)C)ccc(C)c1-2	912832033	GJPDBKOBBCGMJM-UHFFFAOYSA-N	422.598	5.385	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(OC)c(Br)c2)cc(Cl)c1O	916134116	DIDJUKNZQCAOTP-XQRVVYSFSA-N	411.679	5.112	30	20	HKED	
COc1ccc(-c2cc(NC(=O)NCc3ccc(C#N)cc3)ccc2OC(F)F)cc1	916409569	HSXZSCCSWVDVRF-UHFFFAOYSA-N	423.419	5.157	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccccc2)cc1	916915960	SYVXLBLYZOKEIU-DEOSSOPVSA-N	420.468	5.380	30	20	HKED	
Cc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	916995170	BOTJSKVTIOLBOY-HNNXBMFYSA-N	417.317	5.681	30	20	HKED	
Cc1cc(C)cc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917042871	IEHFPFAUXCYSSO-OAHLLOKOSA-N	404.413	5.187	30	20	HKED	
CCc1ccc2c(CNc3cccc(OCc4cccc(C#N)c4)c3)cc(=O)oc2c1	917930718	ACYLCAVJHNAOKN-UHFFFAOYSA-N	410.473	5.418	30	20	HKED	
COc1cc(C(=O)/C=C\c2cccc(OCc3ccccc3F)c2)cc(OC)c1OC	920065056	FXEOUWBDHXHUPV-QXMHVHEDSA-N	422.452	5.327	30	20	HKED	
C[C@H](Cc1cccc(F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	921130680	BIMBGOHIHPCCCQ-DYESRHJHSA-N	416.452	5.144	30	20	HKED	
COc1ccccc1-c1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(O)n1	1353353780	PUUVKWWHTWDXDB-OAHLLOKOSA-N	419.506	5.109	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3C)cc2)CCC1	1787329036	VUYHPUKKGALGQC-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccccc2)CC1	1824145112	BFHNRNUEOPJSLK-SQJMNOBHSA-N	422.613	5.178	30	20	HKED	
N#CCC[C@H](C#N)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F	7034767	MUBULIDTALQQHJ-CQSZACIVSA-N	411.893	5.262	30	20	HKED	
N#CCCCSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1	8752210	QYNVRZNPYUAWFT-UHFFFAOYSA-N	422.863	6.002	30	20	HKED	
O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F	10170604	WAWXXXNTTAHHEY-UHFFFAOYSA-O	423.508	5.182	30	20	HKED	
Cc1csc(SCc2c(C(=O)Nc3ccc(CC#N)cc3)oc3ccccc23)n1	26384270	UMAAQSHYZPHPJL-UHFFFAOYSA-N	419.531	5.808	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccoc1C	32559534	CZHWHPLDKPXIQO-YLJYHZDGSA-N	424.570	5.171	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccoc1C	36807123	MZPCBVLCZBMBJW-LRYXAPPNSA-N	411.571	5.299	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1	45892824	STWNIKFYYMUMFO-UHFFFAOYSA-N	413.477	5.081	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sccc2-c2ccccc2)cc1	65870029	KFVOUAHQWYTDMF-UHFFFAOYSA-N	402.519	5.482	30	20	HKED	
CCN(Cc1ccccc1C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	71944253	SSOJPAAWCBWMDW-UHFFFAOYSA-N	412.493	5.173	30	20	HKED	
CCOc1c(Br)cc(CNc2cccc(OCCCC#N)c2)cc1OC	237041679	LJWGNFLUVDAAPZ-UHFFFAOYSA-N	419.319	5.151	30	20	HKED	
Cc1ccc(C[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c2ccccn2)cc1	302690892	VFJFQIGFZJTVKD-QHCPKHFHSA-N	409.449	5.114	30	20	HKED	
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(Cl)cc1C(F)(F)F	410397580	KZTBCAFIBZTRBV-UHFFFAOYSA-N	415.692	5.691	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1	426129747	SPFDBNFXXLYUNT-KRWDZBQOSA-N	410.688	5.124	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(F)c1	426938074	WAVDCOCUDOARQP-UHFFFAOYSA-N	424.247	5.049	30	20	HKED	
CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	431972491	NDOPURXZVSRBDG-QFIPXVFZSA-N	415.497	5.326	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1	432807835	YKHAFSVLKHHJAL-DEOSSOPVSA-N	410.477	5.907	30	20	HKED	
Fc1ccc(F)c([C@@H](NCc2nc(-c3cccc(C(F)(F)F)c3)no2)C(F)F)c1	434683458	CUHHGHHWNSPCQB-OAHLLOKOSA-N	419.300	5.130	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1	437491845	HSIZNCDAHIOCPT-IERDGZPVSA-N	401.466	5.260	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCOC2(CCCCC2)C1	437981981	XYKIICFLQBFVSM-UHFFFAOYSA-N	419.525	5.013	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1SCC(F)F	438323040	PCFQVQYPFULSRD-WMZOPIPTSA-N	419.472	5.487	30	20	HKED	
Cc1ccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCc3ccccc32)cc1	438754525	PJZRFWLTKBXAHO-VWLOTQADSA-N	420.516	5.606	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccncc3Oc3ccccc3)n2)cc1	442519824	SUHMEKLUNAEPDM-HXUWFJFHSA-N	411.486	5.796	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)CC3	444355579	HAIZQTCUGFSTOM-GOSISDBHSA-N	410.521	5.022	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(Br)s1	444816603	JEHNDEXPGCKIIM-RYUDHWBXSA-N	424.389	5.645	30	20	HKED	
N#CCCn1ncc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1-c1ccccc1	463286068	KKQXUSMXAZWTQZ-IBGZPJMESA-N	422.941	5.084	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)c1	464947686	CFAAEPKKPUZJLQ-CLJLJLNGSA-N	421.500	5.049	30	20	HKED	
CCO[C@@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)C1=CCCC1	465135848	YFKNTASSIYFPLR-DEOSSOPVSA-N	406.501	5.445	30	20	HKED	
CC1(C)[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H]2CCCO[C@H]21	466146324	RBWUANFVKGBHDH-UGESXGAOSA-N	423.944	5.321	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc2cc[nH]c12	466585881	MOJOMDBDCOENGI-UHFFFAOYSA-N	410.477	5.249	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCCc3cccc(C#N)c3)s2)cc1	466826487	QXBDLDRYLLHIID-GOSISDBHSA-N	418.566	5.244	30	20	HKED	
COc1ccc(N(C)C(=O)c2cccc(COc3ccccc3C#N)c2)cc1Cl	466900774	UVVRGSCMWOLLBF-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)nc(C(F)F)n4C)n2)cc1	467196924	RVZREWNHWIZCQB-HNNXBMFYSA-N	422.460	5.433	30	20	HKED	
Cc1cccnc1[C@H]1CCC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1	467388916	IVRQCTCLDRXFAG-SFTDATJTSA-N	402.542	5.111	30	20	HKED	
N#CCCn1ccc(NC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)n1	470356498	IKWBQDQKOPVNHV-UHFFFAOYSA-N	415.375	5.252	30	20	HKED	
CCCCn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1	473709891	LNTKEZQDISPANE-FQEVSTJZSA-N	406.917	5.553	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1	475668819	RZIHMZGWAVQHSY-UHFFFAOYSA-N	409.917	5.020	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1	476120820	DGQOORCQSWRHKP-UHFFFAOYSA-N	417.553	6.283	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	476771433	GYQYCALNQGCHBX-HXUWFJFHSA-N	405.542	5.421	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cn[nH]c3)CC2)cc1Cl	480352100	CZAGLUHTDZHNSH-OAQYLSRUSA-N	419.916	5.130	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F	482853210	VHYUTKPHFABLSG-UHFFFAOYSA-N	408.880	5.067	30	20	HKED	
C=CCN(CC1CCCCC1)C(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1	484833893	DMBLPCHSFKUXEZ-UHFFFAOYSA-N	416.525	5.024	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccnc(OCc2ccccc2)c1	485428723	HKEOUUGOPUYRDL-UHFFFAOYSA-N	419.529	5.048	30	20	HKED	
N#CCCC[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccccc1	487477273	UHISIMATZUZOND-HXUWFJFHSA-N	418.566	5.064	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1	494379323	VOUWJAHFNXOVLC-UHFFFAOYSA-N	410.370	5.448	30	20	HKED	
N#C[C@@H](C(=O)c1occc1-c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1	504544487	DOLWLWIEJBQGIP-HNNXBMFYSA-N	424.403	5.977	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1	505062062	PEMZTPBXXWDDPN-CYFREDJKSA-N	408.542	5.252	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	505550033	HZNMJQBDEFHQCS-CHWSQXEVSA-N	421.312	5.528	30	20	HKED	
COCc1c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)sc2cccc(F)c12	505939008	SFDXXVRCLUNBLI-HNNXBMFYSA-N	422.403	5.200	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3cc(C#N)ccc3C)s2)cc1	506773398	BBDRNHDLKHVXQC-HNNXBMFYSA-N	406.511	5.190	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1	507844037	IYSCPZWRSFEAAI-MRXNPFEDSA-N	419.456	5.246	30	20	HKED	
CCOc1ccc(C2=CCN(Cc3ccc(OC)c(OCCCC#N)c3)CC2)cc1	507859419	MACJRIJCKKJHCQ-UHFFFAOYSA-N	406.526	5.066	30	20	HKED	
C[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccc(-c2cccc(C#N)c2)cc1	509316521	KEQWTDSHBXISHX-QGZVFWFLSA-N	401.510	5.321	30	20	HKED	
O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	512376435	IOUQQBUUVPPTLN-MRRJBJDNSA-N	411.361	5.471	30	20	HKED	
COc1cc(Br)ccc1CCCSCCCC1(C#N)CCOCC1	512377990	MGVXYZUARGHIJB-UHFFFAOYSA-N	412.393	5.224	30	20	HKED	
C=CCN(C(=O)c1cncs1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	514891935	LAZMXPHLQCYOTH-UHFFFAOYSA-N	403.532	5.766	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)Cc2coc3ccc4ccccc4c23)CC1	517691932	AFAVZPQHRRZCPZ-UHFFFAOYSA-N	424.500	5.507	30	20	HKED	
C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(Oc2ccccc2)c(F)c1	518263365	JAVOANNLRWCZTC-LJQANCHMSA-N	404.485	6.151	30	20	HKED	
COc1cccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	518756148	CWOJUWMLZHPAQK-KRWDZBQOSA-N	402.519	5.350	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1	519997003	NVZVONMNRJPVLL-OAHLLOKOSA-N	416.868	5.315	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1	521197674	WTWMFUMUCVIZBZ-UHFFFAOYSA-N	422.529	5.435	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	523088696	WMADAPJKHMLEOO-GJZGRUSLSA-N	406.473	5.917	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1Cl	523708371	ZPMHTWJFQVLWFB-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)c2)cc1	525046727	JECFSDBTZIZDAV-FCHUYYIVSA-N	418.443	5.352	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1	531091529	NNGWLQLLBUADPR-UHFFFAOYSA-N	413.260	5.918	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c(C#N)s1	534520063	VDBUVAGPCJGBNA-UHFFFAOYSA-N	409.536	5.483	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](c1ccccc1)C(F)(F)F	535796628	GDCYRSFMWPGQGM-HUUCEWRRSA-N	408.317	5.422	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1	536666259	JZQILPCHJFIEPU-IZZNHLLZSA-N	419.532	5.206	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1cccc(N(C)C)c1)c1ccc(-c2cccc(C#N)c2)cc1	542086866	XWWBMUVNCJAYTJ-LJQANCHMSA-N	412.537	5.194	30	20	HKED	
N#Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)ccc1Cl	542549369	BYBYFCHUSWSETL-UHFFFAOYSA-N	410.260	5.370	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(-c2cccc(C#N)c2)cc1	543870318	SLXVPBXAFPEXBU-MRXNPFEDSA-N	403.432	5.549	30	20	HKED	
CC(C)Oc1c(F)cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1F	544064951	BCGPXTSZJXOLOX-UHFFFAOYSA-N	409.392	5.063	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C	544301596	YRWHZONWSYIQLM-UHFFFAOYSA-N	415.497	5.238	30	20	HKED	
Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2ccc(C#N)cc12	550468541	KJCQLIOUKLNNCU-UHFFFAOYSA-N	420.475	5.365	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1c(F)cncc1F	553762430	IJILSJBXPMWGPP-GFCCVEGCSA-N	413.811	5.168	30	20	HKED	
C=CCC1(c2nc(CC(=O)Nc3nc(-c4ccccc4Cl)cs3)no2)CCC1	558377918	SKYICGKSZOGYGF-UHFFFAOYSA-N	414.918	5.026	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)ccn1	565808046	YORQOPTVXOBRJU-UHFFFAOYSA-N	401.319	5.156	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	569309944	GGNMOCAIZWCTGP-MWTRTKDXSA-N	416.456	5.500	30	20	HKED	
C[C@H](CNC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	576297607	JPZNFVDCHKYYOK-MRVPVSSYSA-N	410.280	5.064	30	20	HKED	
N#CCCCCCC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1	588647318	PGBGJYIGYPNCIM-HXUWFJFHSA-N	403.295	5.268	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C	594156638	CFDBBCOKWBBYPC-KRWDZBQOSA-N	411.596	5.947	30	20	HKED	
C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1	603681730	TXBWEJTXDCFCIU-KRWDZBQOSA-N	410.439	6.007	30	20	HKED	
N#Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)sc2c1-c1ccccc1CC2	603991896	FXPPKWARIQXNHV-UHFFFAOYSA-N	415.430	5.292	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCOc2ccccc21	609101828	IIQQXLKQTNLSKO-JOCHJYFZSA-N	400.453	5.105	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1	609125449	PSPJIVOYNVRJOZ-MRXNPFEDSA-N	423.582	5.259	30	20	HKED	
CCC(CC)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccs1	609436567	AOZFYAODKSCWCD-QRWLVFNGSA-N	401.601	6.441	30	20	HKED	
C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1	609475598	UUPFOCKNPQTVIL-AWEZNQCLSA-N	402.385	5.075	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cn3)cc2)nc1	609505576	NZHHFRWSYLCXEQ-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3ccccc3Cl)cc2)nc1	609516205	NJKLLKCIDUYRRJ-NRFANRHFSA-N	403.869	5.376	30	20	HKED	
Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	609642341	QUCYRNHNJFKDJK-UHFFFAOYSA-N	400.478	5.485	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCSC[C@@H]3c3ccccc3)cn2)c1	609682153	JWEGVIJCYGZODP-OAQYLSRUSA-N	416.506	5.068	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1	610007525	GABJVDOTFIIUSL-HNAYVOBHSA-N	402.560	6.043	30	20	HKED	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1	610053516	JWIGCCSVLYFQTQ-LJQANCHMSA-N	416.525	5.199	30	20	HKED	
N#Cc1cccc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c1F	612539126	SZLJJNMUACARTL-HNNXBMFYSA-N	401.201	5.243	30	20	HKED	
Cc1cccc2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c(Cl)c12	613404495	SNKMWOLCLKKNHA-LLVKDONJSA-N	415.852	6.098	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	613404901	QBDVLEOAYNLPBD-OAHLLOKOSA-N	420.481	6.306	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c2ccccc21	618206247	SGXLRCSVHLVPHA-UHFFFAOYSA-N	407.464	5.243	30	20	HKED	
CSc1ncc(Cl)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1	642281715	CXMJBUNYUINTQT-LLVKDONJSA-N	421.334	5.119	30	20	HKED	
CC(C)(c1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1)C(F)(F)F	683392069	TYQRLQNFUDFDKH-VXGBXAGGSA-N	421.303	5.339	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)NCCSc3ccccc3)cc2)c1	727981000	YPJRABIMPHSNRX-UHFFFAOYSA-N	419.575	5.216	30	20	HKED	
COc1ccccc1-c1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)no1	729375269	BPVQAKATUQEDHN-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	730395578	MQWTZZNKKDTWSL-OAHLLOKOSA-N	418.424	5.366	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(OC)c(OC)c2Cl)ccc1SC(F)F	730433597	GXJZZDWTYCNCRZ-DAXSKMNVSA-N	414.857	5.577	30	20	HKED	
Cn1cc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1	732571802	UEFVZEDOPBLPQF-FMIVXFBMSA-N	416.462	5.015	30	20	HKED	
C=CCNC(=O)c1ccc(NC(=O)c2sc3cc(C(C)C)ccc3c2Cl)cc1	732636219	HDQAJUZDUUBWEW-UHFFFAOYSA-N	412.942	5.846	30	20	HKED	
CC(C)c1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)NCc3ccccc3)sc2c1	732707974	IKFVITTVMVOBML-KRWDZBQOSA-N	410.926	5.317	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3c(Cl)cccc3s2)ccc1OC	733230753	SWUFHQGAGBOMTA-AWEZNQCLSA-N	414.914	5.174	30	20	HKED	
CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)s1	734060168	PSFQJUWDXHTMIQ-OALUTQOASA-N	409.942	6.330	30	20	HKED	
N#C[C@@H](NC(=O)/C=C\c1ccnc2ccccc12)c1ccc(OCc2ccccc2)cc1	735469460	AWGQQWMBWPCJPH-PYNJZACDSA-N	419.484	5.208	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3nccc4ccccc34)SC2=S)cc1Cl	740942659	KTXDDKFERDUALN-VCHYOVAHSA-N	407.907	5.166	30	20	HKED	
COCc1cccc(/C=C/C(=O)c2ccc(Br)cc2Br)c1	742429291	KSAMYHOVRXIOHX-VMPITWQZSA-N	410.105	5.254	30	20	HKED	
O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CCc2nc(-c3ccccc3)sc21	743058454	ZUUBFZAVBVVKTK-JXAWBTAJSA-N	411.486	5.605	30	20	HKED	
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ncc(-c2ccccc2)o1	743475313	RIOONUMYRKYWNA-QGZVFWFLSA-N	413.452	6.104	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](C)c3cccc(C#N)c3)cccc2c1=O	743777744	YHRYBHBKFYFHMH-QGZVFWFLSA-N	408.457	5.131	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12)c1cccc(C(F)(F)F)c1	744015958	FSHDKLURGBZMKD-ADYSOMBNSA-N	410.395	5.490	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1NC(=O)OC(C)(C)C	744371497	TYDQTLTXOCTSCI-UHFFFAOYSA-N	419.403	5.485	30	20	HKED	
COc1cc(C=NOCc2ccc(C(F)(F)F)cc2)ccc1OCc1ccncc1	746576836	NTMAUZLKWJNGKW-UHFFFAOYSA-N	416.399	5.239	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(N2CCOC2=O)cc1	748584318	NPJPAIMVLCFCGO-PKNBQFBNSA-N	420.446	5.176	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(C)cc1C	749101645	FJWODQVSEHXJIH-UHFFFAOYSA-N	407.352	5.590	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(Sc3ccccc3)cc2)ccc1OC	754061947	ZTCPOOYKVVPYAR-NRFANRHFSA-N	418.562	5.817	30	20	HKED	
CCCC[C@H](ON=C(C)C)C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1	758451262	DUEDNYVEMSUMMR-KRWDZBQOSA-N	405.589	5.036	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1	759430884	GYOXLLDILNKKNN-MBSDFSHPSA-N	404.554	5.461	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1=S	765034393	ANRHGXYHNIOGFO-LAUBAEHRSA-N	423.561	5.232	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@H](c2c(F)cccc2F)C1	769232402	OBWYHZDWTDVUSA-NSHDSACASA-N	420.328	5.640	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(C)ccc2OC(F)F)ccc1OC	772978411	FJTIZXHJECXUKW-DOTOQJQBSA-N	404.457	5.137	30	20	HKED	
CC(C)(C)OCc1cc(COC(=O)c2ccccc2Oc2ccccc2C#N)no1	775194232	ZWPHOMBKUSCHQR-UHFFFAOYSA-N	406.438	5.011	30	20	HKED	
CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1cc2c(s1)SCC(=O)N2	778539952	IIZSADFVMWBLIU-UHFFFAOYSA-N	402.932	5.138	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	779594890	AIJRIWXQTKJJQW-KRWDZBQOSA-N	401.441	5.179	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(CSc2ccccn2)c1	780542527	ZPKCPJYLOGUYEU-MRXNPFEDSA-N	404.495	5.309	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cc(Br)cs2)cc1OCCCC#N	782370066	ROUWMZAXNZFXDA-XQRVVYSFSA-N	406.301	5.098	30	20	HKED	
C[C@H](OC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1cccc(C#N)c1	783005886	FXXBNQMVCLHYSC-HNNXBMFYSA-N	415.474	5.158	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	786306737	LSIQWXWAPKQXSW-SWLSCSKDSA-N	414.292	5.316	30	20	HKED	
N#CCCn1cc(/C=C/C(=O)c2ccc(SCC(F)F)cc2)c(-c2ccncc2)n1	788355912	QDCOQWMEKDKIGL-QPJJXVBHSA-N	424.476	5.112	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	793596210	VJYVZUIIUKLXNQ-FGZHOGPDSA-N	419.525	5.254	30	20	HKED	
C=CCN(C(=O)C[C@H]1CCCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	796542445	GKXOWUSDABIFBR-CYBMUJFWSA-N	411.354	5.453	30	20	HKED	
CC(C)(C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1csc(-c2cccs2)n1	800384108	PUHRXAYBAFXCMI-HNNXBMFYSA-N	403.532	5.574	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nccc2ccccc12)c1ccc(F)c(Br)c1	813089772	HLWGEIBOAIGGGV-SUMWQHHRSA-N	411.274	5.506	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(s1)CCCC2	916905331	NIRNWASGQSAUTK-SFHVURJKSA-N	416.502	5.380	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	917044899	VKKCFCFUILVLCK-GFCCVEGCSA-N	412.845	6.052	30	20	HKED	
C[C@@H](COc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	918348296	UGPOKQCFOMVZRH-SFHVURJKSA-N	402.519	5.048	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	918472411	YPTJYNOJMQLAOI-UHFFFAOYSA-N	416.456	5.394	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)c(O)nc2ccccc12	1542797375	OYDJSQIPHCHGCM-UHFFFAOYSA-N	423.472	5.260	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](CC)c4ccccc4)CCC3)cc2)C1	1785807004	BRGZEDNPRQABLW-HSZRJFAPSA-N	402.538	5.281	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)C1	1792122819	YLUBDIQIDRBKLH-GOSISDBHSA-N	413.521	5.028	30	20	HKED	
Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)c1	11258337	ACEJGSULCBDXJH-UHFFFAOYSA-O	409.962	5.604	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(C)c(C)c1	22695380	MNWFCYYYGDIJMA-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccccc3SCC#N)cc2)n1	23012568	BGBWVBASFLLXRH-UHFFFAOYSA-N	406.536	5.113	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2c(C)cccc2C)cc1	23603136	TUWZBXIPKLCOJD-UHFFFAOYSA-O	406.575	5.149	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2C(F)(F)F)cc1	25841641	SIXWKUSYEMNTEI-UHFFFAOYSA-N	412.415	5.253	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccccc1Oc1ccccc1Cl	28662151	HFTRNCMVQWXKMG-UHFFFAOYSA-N	423.925	5.799	30	20	HKED	
Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	71944568	OYMUQPZKJJGJLT-DEOSSOPVSA-N	414.509	5.039	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)o1	195632909	SSHDGBVZJCYGMF-MGPUTAFESA-N	416.443	5.148	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1	301759024	GOCDPVSSTVCVJI-HNNXBMFYSA-N	417.715	5.716	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CSc2ccccc21	303674795	HJHPKEPOLHIWAK-OAQYLSRUSA-N	400.503	5.274	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCc2cc(F)ccc21	409537011	LWXOMPFDHKYLEG-IBGZPJMESA-N	421.285	5.112	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCOC4(CCCCC4)C3)c2)cc1	426108212	GARSRJANNPGLSJ-FQEVSTJZSA-N	405.498	5.354	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccccc1	432841237	FQSPLQTVSFEXSB-KRWDZBQOSA-N	411.412	5.231	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2)s1	433111222	SZFUTORJOGKCBO-UHFFFAOYSA-N	418.522	5.527	30	20	HKED	
C=CCC[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1ccccc1	435295109	BJGBPQMUQHMUKS-SFHVURJKSA-N	416.974	5.077	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](c2ccccc2)CO1	437377166	OMNPTSDJHIPNQK-HXOBKFHXSA-N	416.452	5.092	30	20	HKED	
CC(C)C[C@H]1COCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	437737604	PBNLQMZFCYIWLS-FPOVZHCZSA-N	411.933	5.274	30	20	HKED	
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	437906900	IJWQEDQCTVETQT-UHFFFAOYSA-N	414.465	5.005	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438664067	KMTDFNGEYVMANC-MRXNPFEDSA-N	419.456	5.723	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)c1ccccc1	438851248	OPLXGMYTSHQKHN-NRFANRHFSA-N	413.974	5.651	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1	441315583	BTHDHUPMAGOLOT-UHFFFAOYSA-N	404.539	5.339	30	20	HKED	
C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(Br)s1	444097143	AEFVXVNQFFMLDG-BPUTZDHNSA-N	418.360	5.053	30	20	HKED	
Fc1ccc2oc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)nc2c1	444745011	RUZUXAFXOOFTDI-AWEZNQCLSA-N	406.301	5.769	30	20	HKED	
N#Cc1ccccc1/C=C/c1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1	445362190	BRJPZWYREGZVRV-XNTDXEJSSA-N	422.444	5.085	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H]2CC[C@H]1c1ccccc12	460951724	MKXHGOHOMAGETG-UTKZUKDTSA-N	404.489	5.011	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)cc2Cl)cc1	462257752	QRFNZJRCMOYDTR-DYESRHJHSA-N	411.889	5.083	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(C(F)F)cc2)cc1	463224151	DADJZCWOZVIVDE-UHFFFAOYSA-N	423.438	5.547	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ncc(-c2ccccc2Br)o1	464817149	VGSGPDSHWLRVQG-QUCCMNQESA-N	422.326	5.376	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1Cl	466446828	TXTNXYFZDZZOLO-GOSISDBHSA-N	409.804	5.295	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2)o1	468539418	CQDYQVZQCXNJJZ-INIZCTEOSA-N	420.538	5.382	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccccc4Cl)o3)ccc21	468830020	DBERAZYMAGQREV-UHFFFAOYSA-N	419.912	5.795	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	470252417	QECLNTAXQVIRQS-DQEYMECFSA-N	412.489	5.309	30	20	HKED	
CSc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(Cl)cc1Cl	471328528	ONKRNCUEBNLRLU-UHFFFAOYSA-N	421.349	5.271	30	20	HKED	
CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	474912602	WHHZWYCJBVWZAG-UHFFFAOYSA-N	417.534	5.152	30	20	HKED	
Cc1cc(F)c(Br)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	475043024	SEFLTKPORFGKMX-BEFAXECRSA-N	416.294	5.200	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3cnc4ccccc4c3)c2)cc1	475358674	QRRFHVFVYJQMLO-UHFFFAOYSA-N	407.473	5.061	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	480255678	BHYFXBMFSJCVNL-MGPUTAFESA-N	405.889	5.012	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1	481406447	WRXDUGPSUBBCKW-UHFFFAOYSA-N	421.888	5.286	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CSc1ccc(C#N)cc1)C1CC1	482544308	PSVHRSYFGGLKJK-CQSZACIVSA-N	404.457	5.421	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1	482916327	SGENDTWEBCDFCW-DYESRHJHSA-N	411.546	5.386	30	20	HKED	
COc1cc(C)c([C@@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC	482964865	QTYPMYMDLNGFOX-QGZVFWFLSA-N	416.477	5.167	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1nccc2ccccc12	483209115	YOAOIHLEGLDDJF-QGZVFWFLSA-N	406.363	6.004	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2nccc3ccccc23)cc1	483209633	KIGWKKHOUPEQBV-HSZRJFAPSA-N	419.509	5.889	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cc2ccccn2)ccc1C	485609593	XOJTVYCOBAZSLJ-UHFFFAOYSA-N	417.557	5.368	30	20	HKED	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1	487349327	BBVYESOEEOORCZ-OAQYLSRUSA-N	411.933	5.490	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(C(F)(F)F)cs1	488324635	JTPMVBZTFIETLL-MNOVXSKESA-N	414.478	5.439	30	20	HKED	
Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	490630263	KBTIBXNVIXEMOV-UHFFFAOYSA-N	420.896	5.311	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1	505828187	UJOOCFCJIBQNEJ-NRFANRHFSA-N	410.945	5.067	30	20	HKED	
CCCc1c(NC(=O)[C@H](C)Cc2cncc3ccccc23)cnn1-c1cccc(C#N)c1	507606178	MNIJHBJUXFMSGS-GOSISDBHSA-N	423.520	5.062	30	20	HKED	
C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(=Cc2cc(Cl)ccc2Cl)CC1	508790473	JXCRSYKCMPIBBE-IBGZPJMESA-N	419.356	5.306	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21	511874906	GGZSVVNIMMZCOM-RJSMDTJLSA-N	419.594	5.287	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc(Cl)cc2cccnc12	512045716	IQVRJHPMAHTQQZ-UHFFFAOYSA-N	406.942	5.549	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(COc2ccc(F)cc2)n1	512506509	MSVVRZMPGFOEQJ-UHFFFAOYSA-N	414.550	5.217	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(-c2ccncc2)cs1	512964833	VVUYVTGJJGOPSK-CQSZACIVSA-N	406.854	5.004	30	20	HKED	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	513273608	MJAXZEWZJJPGNS-UHFFFAOYSA-N	419.484	5.760	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(C(C)(C)C#N)cc1	514425413	YAFYAPLYPVHDDR-UHFFFAOYSA-N	406.917	5.125	30	20	HKED	
CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	516381114	DYKDNJJEGNUELD-KRWDZBQOSA-N	413.477	5.301	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)CC1	517324469	RIVFPIAZYDJWOO-LJQANCHMSA-N	411.512	5.132	30	20	HKED	
CC(C)CCOc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1	517892015	HGIUVKKYTKLXQL-UHFFFAOYSA-N	407.514	5.058	30	20	HKED	
CC[C@H](NC(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Cl)cc1	520673373	DTIMNQLCLJVTRK-QFIPXVFZSA-N	420.900	5.078	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)n2)cc1	521525713	RKMPMXCXNGMARE-UHFFFAOYSA-N	420.881	5.171	30	20	HKED	
C[C@H](N[C@H](Cc1ccccc1Cl)c1ccccc1)C(=O)Nc1ccccc1C#N	521727914	ZOVBLXWGQQEYKL-GAJHUEQPSA-N	403.913	5.112	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NCc3ncc(-c4ccccc4)o3)cc2)cc1	521994456	XVISMQWOFYWAEA-UHFFFAOYSA-N	409.445	5.130	30	20	HKED	
Cc1ccccc1C1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	522555855	ZMTVTXYOHPQFIW-UHFFFAOYSA-N	412.558	5.621	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1	522843550	ZCONETFTQGTUNR-HOTGVXAUSA-N	413.974	6.492	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1Cl	523378917	WLZQPHMNGXRVRD-NRFANRHFSA-N	417.871	5.797	30	20	HKED	
CC(=O)c1csc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1	525447090	OUCSBWSBDZCIJB-DCJJRUGTSA-N	410.564	5.365	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3Cn3cnc4ccccc43)c2)cc1	533749195	OGBYTJJBPZDPFI-NRFANRHFSA-N	422.488	5.005	30	20	HKED	
CCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(C#N)c(Cl)c1	534385301	PHBVLKNAMSAMQV-UHFFFAOYSA-N	415.827	5.131	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1COc2ccccc21	535889964	XGLOITGTVKUZGR-VGOFRKELSA-N	414.530	5.145	30	20	HKED	
C=C[C@H](CC(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C)c1ccccc1	536107332	IRVJJRRYAOMOPZ-QGZVFWFLSA-N	418.459	5.241	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1[C@H](C)C1CC1	540729477	MJTOCEZHVXTQCF-GOSISDBHSA-N	416.500	5.016	30	20	HKED	
CS[C@H](C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	541226968	FVLLDOMUVIXREV-LDWIPMOCSA-N	413.305	5.195	30	20	HKED	
C=CCN(C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1	543454356	XYVNHMYIYWKHRJ-JXAWBTAJSA-N	404.535	5.413	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)c2ccc(C)nc2)cc1	546835504	FSUJQBRSUCAOFD-UHFFFAOYSA-N	416.481	5.119	30	20	HKED	
N#CCC1CCN(C(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)CC1	547717910	HTAGFBSZHVXNBI-UHFFFAOYSA-N	407.272	5.691	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C#N)c(Cl)c1	547955748	HSHVJPONTATNQX-UHFFFAOYSA-N	401.853	5.223	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC(C)(C)C(F)(F)F)cc1	549202093	JWLDMTWXVAZQIX-UHFFFAOYSA-N	407.392	5.069	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c(C(F)(F)F)c1	553847567	VCTHJAOLPPWJLH-AWEZNQCLSA-N	418.484	6.403	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)o2)cc1	557511000	OZEOEIXISGECGX-SMIHKQSGSA-N	412.489	5.139	30	20	HKED	
N#Cc1ccc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(C(F)(F)F)c1	558567576	XYKDQIMLQXTZKQ-OAHLLOKOSA-N	403.379	5.237	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1sccc1Br	563829533	IQASWUOYWKBHBD-NSHDSACASA-N	410.362	5.227	30	20	HKED	
CC(C)(C(=O)N1CCC(CC#N)CC1)c1csc(-c2c(F)cccc2Cl)n1	565572697	ZPSRCQBYOPKXMJ-UHFFFAOYSA-N	405.926	5.032	30	20	HKED	
Cc1cc(-c2ncco2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	566037724	NDJBYJIOFPLHML-UHFFFAOYSA-N	411.486	5.925	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3CC#N)cc12	580374040	WORLWTMYRIJIDI-UHFFFAOYSA-N	420.925	5.426	30	20	HKED	
CC(C)CCc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	580851467	BXESXAZPORYVFE-UHFFFAOYSA-N	409.505	5.361	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1)[C@@H]1C[C@@H]1C	581091192	CVQXWVSUTQEDDR-RNODOKPDSA-N	403.507	5.095	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C1CC1)C1(C#N)CCC1	585748711	OHXPDPZMAQZJMG-UHFFFAOYSA-N	405.445	5.188	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)c1	589740272	OTMYEUGBSQWXBS-UHFFFAOYSA-N	401.510	5.313	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(CC#N)cc1	591724561	QJGRXJLBLCLHEJ-UHFFFAOYSA-N	401.413	5.456	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1ccccc1	603622908	MCVCDCMLZPJZCG-UHFFFAOYSA-N	423.476	5.307	30	20	HKED	
Cc1ccccc1-n1c(SCc2cn3ccccc3c2C#N)nnc1-c1ccncc1	603824366	YIKZMQQHYVMCII-UHFFFAOYSA-N	422.517	5.054	30	20	HKED	
Cc1nc(-c2ccc([C@H](C)NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2)cs1	604171568	UMNSCEJMDUZBMQ-HJPURHCSSA-N	419.550	5.271	30	20	HKED	
C=CCn1c(S[C@H](CC)c2ccc(F)cc2)nnc1[C@@H]1COc2ccccc2O1	606150148	FBBIOSLROIILBY-VQTJNVASSA-N	411.502	5.359	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2cccc(Cl)c2)CC1	609061034	IADMGJIDPAUPDB-UHFFFAOYSA-N	416.908	5.769	30	20	HKED	
CCO[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	609062296	KXVHAUZZYISSJG-HSZRJFAPSA-N	420.896	5.507	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2cc3ccccc3n2CC#N)n(-c2ccc(F)cc2)n1	609166041	QEIQNXBUJPUNCL-UHFFFAOYSA-N	415.472	5.039	30	20	HKED	
CCN(C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(C#N)cc1	610252666	CPOLGHDIBBODFT-UHFFFAOYSA-N	415.440	5.676	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@H]1c1ccccc1Br)c1ccccc1	610973780	VIEJMVJODZLANO-PMACEKPBSA-N	412.331	5.341	30	20	HKED	
CC1(C)CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F	622553008	HFTXHXZMTZTQCX-GFCCVEGCSA-N	421.303	5.775	30	20	HKED	
COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1NC(C)=O	726428276	JESOVBPSGNEKQM-NTMALXAHSA-N	422.462	5.186	30	20	HKED	
Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	727027626	QDSSGDTYMWGKCJ-XMMPIXPASA-N	408.505	5.496	30	20	HKED	
N#C[C@H](C(=O)CSCc1cccc2ccccc12)c1nc(-c2ccccc2)cs1	731938257	BYDPLZDBKWWAND-OAQYLSRUSA-N	414.555	6.073	30	20	HKED	
O=C1/C(=C\c2ncc(-c3cccc(Br)c3)[nH]2)CCOc2ccc(F)cc21	731939329	WAJBZJCNPIGJDK-LCYFTJDESA-N	413.246	5.027	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCCCN2CCCCC2)cc1	732416807	BOEWNXNHNBQYJV-XMMPIXPASA-N	404.558	5.120	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1	732592741	BRXCYEPZKPBDPS-BHDDXSALSA-N	424.525	5.855	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)cc1	732899671	AMXBJXMCLMKQLC-HXUWFJFHSA-N	420.415	5.281	30	20	HKED	
CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1oc2ccccc2c1C	733080502	PGYPJESEJCJFDB-UHFFFAOYSA-N	411.387	5.448	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)c1	733787637	SWWWLIDDAXXRNW-AUSIDOKSSA-N	415.537	5.325	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c1	733800173	UNJLVNSWONMZMI-OCCSQVGLSA-N	424.303	5.374	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(/C=C/c2ccccc2)cs1	735263525	OPNWSRQAVXAOTK-MDZDMXLPSA-N	400.463	5.130	30	20	HKED	
C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccc(F)cc1Cl	735318957	SRIIZZFFWIEJOA-LLVKDONJSA-N	413.301	5.295	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3ccccc3F)oc2C)cc1	739153247	AAFMCMFAGVTEIP-LJQANCHMSA-N	419.456	5.093	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1ccc(SCc2csc(C)n2)cc1	741634647	BFAKAQDDPZPCQY-UHFFFAOYSA-N	412.511	5.147	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(F)ccc1F	743440129	AFEYVEWVGOZOGP-UHFFFAOYSA-N	407.346	5.062	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744035926	VLLNYIABJQTCJW-CYBMUJFWSA-N	419.337	5.464	30	20	HKED	
CCOc1cccc2cc(C(=O)/C=C\c3ccc(OC)c(OCCCC#N)c3)oc12	747361439	MZCZZMGQEIADGF-LUAWRHEFSA-N	405.450	5.419	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1SC(F)(F)F	752378980	AYHMJELBTANRKW-UHFFFAOYSA-N	403.347	5.099	30	20	HKED	
Cc1cc(-c2cc(C(=O)OCC3CCC(C#N)CC3)c3cnn(C(C)C)c3n2)c(C)o1	755972468	HVJQYAZQUOGDRR-UHFFFAOYSA-N	420.513	5.376	30	20	HKED	
N#Cc1cc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)ccc1F	756261150	OHBFZAYYWYTNEO-QPEQYQDCSA-N	413.886	5.873	30	20	HKED	
CCOC(=O)/C(=C\c1ccc(O[C@H](C)C#N)cc1)c1nc(-c2ccc(C)cc2)cs1	756623116	RHKDCJVSNZPSEA-OJSPLJLUSA-N	418.518	5.513	30	20	HKED	
Cc1ccc([C@@H]2C[C@H](OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CCO2)cc1	757522553	VZZMGFHHNCXKPS-PKTZIBPZSA-N	414.461	5.131	30	20	HKED	
C#CCCCCCc1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1	761539609	FMJKLUBCTKPZSD-UHFFFAOYSA-N	413.521	5.262	30	20	HKED	
C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1cc(Br)ncc1F	762767246	HBOYJAKTKBTZBA-AWEZNQCLSA-N	410.290	5.373	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C1CC1	762984932	QWJXYPPMZLJOCU-HNNXBMFYSA-N	419.554	5.653	30	20	HKED	
N#CC1CCN(C(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)CC1	763920449	AEXLBQGIFYMOQA-UHFFFAOYSA-N	408.933	5.060	30	20	HKED	
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccccc1Sc1ccccc1C#N	766722297	MTRUWBUKCQZZKO-HRAATJIYSA-N	420.509	5.091	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc2cc(Cl)ccc2s1	766846716	RAZITPRWQGBEQI-QJPTWQEYSA-N	406.816	5.347	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(Br)c(F)c2)cc1OCCCC#N	767737919	UWGBZIQEJYUOGS-XBXARRHUSA-N	418.262	5.175	30	20	HKED	
CCOc1cc(/C=C2/CSc3c(F)cccc3C2=O)cc(Br)c1O	767912660	PTSGURXYOMPIHP-WDZFZDKYSA-N	409.276	5.065	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1	770665250	HOIGJPVYAVOJPD-QRWLVFNGSA-N	406.473	5.286	30	20	HKED	
CC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cc(F)cc(Br)c1	776809603	ROUFJPVWHBYMNP-FQEVSTJZSA-N	404.327	5.179	30	20	HKED	
CC(C)(C)[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc2ccccc2o1	779420691	QSXGKWMHLYFROS-XMMPIXPASA-N	403.526	5.465	30	20	HKED	
C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	779713140	PDFLIPPWTAXEMR-VXGBXAGGSA-N	411.811	5.089	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1	780153574	KKFZYJWDZWECMR-INIZCTEOSA-N	414.490	5.144	30	20	HKED	
CCOc1ccc([C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2)cc1	780669491	LAVIHAAVZMKJDA-MHECFPHRSA-N	415.493	5.287	30	20	HKED	
C[C@H](OC(=O)C(C)(C)CCC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	783987842	JDQZCJUYDKHLAI-MSOLQXFVSA-N	418.493	5.145	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cncs1	787171978	RIDOLCRNOCHZMC-QPJJXVBHSA-N	403.290	5.598	30	20	HKED	
C[C@@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(OCC#N)cc1	793563972	APMDQTWYKWMBKX-ZHRRBRCNSA-N	418.459	5.426	30	20	HKED	
O=C(/C=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	796976444	NCKOFJGKFZBRQC-VMPITWQZSA-N	402.237	5.043	30	20	HKED	
CC(C)(C(=O)OC[C@H]1CC[C@@H](C#N)CC1)c1csc(-c2c(F)cccc2F)n1	797268482	STTRDPBZBAMFCY-OKILXGFUSA-N	404.482	5.239	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)cc1	799200432	ARVGLEULBIWZAA-BOPFTXTBSA-N	416.980	5.205	30	20	HKED	
O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cc(F)c(C(F)(F)F)cc1F	804301537	GPWWUVIIRYDQSS-UHFFFAOYSA-N	410.220	5.396	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)OC(=O)Cc3cccc(OCC#N)c3)s2)cc1	810593222	TZVUIYBUXFOUEK-QGZVFWFLSA-N	406.507	5.176	30	20	HKED	
Cc1ccc2sc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2c1	811347778	CMZFGQRMDAHXQM-HNNXBMFYSA-N	424.547	5.400	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c1	811722691	ODBUTIVMHXBKSE-NRFANRHFSA-N	423.582	5.001	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1	812960145	FOZQAPAPYLPORK-AWEZNQCLSA-N	418.324	5.696	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)c1cc(C(F)(F)F)ccn1	813215056	STQFNKVEAPEMGM-INIZCTEOSA-N	402.347	5.309	30	20	HKED	
O=C(CON=Cc1ccc(Br)cc1)Nc1ccccc1-c1ccccc1	823398646	YYASHSYOWAFAIF-UHFFFAOYSA-N	409.283	5.105	30	20	HKED	
CC(C)(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	883977431	IMEVROCZZWUGNC-NXEZZACHSA-N	417.340	5.268	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCC(C)C	915086189	ICVGCQDQBIQKGY-HSZRJFAPSA-N	414.505	5.638	30	20	HKED	
COc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F	915656254	KBFUORBOWMRUQB-IBGZPJMESA-N	408.860	5.324	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(SC)cc3)c2)cc1	916133419	MOUQMVVENMLQJO-GIDUJCDVSA-N	403.503	5.566	30	20	HKED	
COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccccc3F)cc2OC)cc1	916136210	BYYVFBQUEXWFDE-LCYFTJDESA-N	420.436	5.096	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1	916697434	REOLZKLQLATISP-OAHLLOKOSA-N	406.338	5.166	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1	916882726	BLUWYRHBKGSDET-FWRXFDSUSA-N	406.841	5.015	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3ccccc3)oc2C)cc1	916949023	ZVAGAMXJSFSVGX-YWZLYKJASA-N	401.466	5.125	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2cccc(C)c2)sc1=S	917458250	YKFZDLDJZYFABA-UHFFFAOYSA-N	409.584	5.467	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	917749216	ANPRHDIWZMWJEP-DZGCQCFKSA-N	421.349	5.250	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SC(F)F)cc3)n2)cc1	920142567	LGIZHQZEIDTKGE-INIZCTEOSA-N	416.474	5.623	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	921147488	CWAFBBJJFBRPGQ-UHFFFAOYSA-N	419.289	5.606	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C(C)=C/c4cccs4)cc3)CCC2)C1	1785818885	QNJHZIFAAMHFCV-BMRADRMJSA-N	406.551	5.252	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1	6148047	MOPFIOODDIIBLF-CQSZACIVSA-N	413.930	5.157	30	20	HKED	
N#Cc1c(NC(=O)CCSc2ncc(-c3ccc(F)cc3)o2)sc2c1CCC2	10848730	FUGGQGMTLRCQGL-UHFFFAOYSA-N	413.499	5.023	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1cc(C)ccc1C	22729719	LRRINTSOPUQNNU-UHFFFAOYSA-O	420.602	5.160	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccco3)n2)nnc1-c1ccccc1OC	25352762	BTGMTOUTLDVVOM-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)COc2ccc(Cl)cc2Br)c1C	60853662	HJCYSLZBMDUDGB-UHFFFAOYSA-N	421.722	5.045	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1OCC	60925629	QCOWKFVISORCEP-GOSISDBHSA-N	414.505	5.514	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccnc(Oc2ccccc2)c1	116392671	KXRVVZGFYPDQLV-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2cccc(Br)c2)o1	216129936	RFOIIHSJYVNLLR-GZTJUZNOSA-N	417.328	5.212	30	20	HKED	
C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccc(C#N)cc1	303708068	PHMXMOHHTLALIJ-QGZVFWFLSA-N	421.545	5.117	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](C)c1ccccc1C(F)(F)F	303818260	DJALEKUOTYAWAA-GJZGRUSLSA-N	406.473	6.089	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)oc2c(C)cc(Br)cc12	426497496	DHOOLPQRBOSLEW-CQSZACIVSA-N	409.239	5.443	30	20	HKED	
C=CCn1c(SC[C@H](C)O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12	430093208	FWFLQWDEQWGISO-KRWDZBQOSA-N	416.550	5.128	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1	432586163	YHNJKAWLHDGSPL-HXUWFJFHSA-N	405.542	5.055	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cc(F)c(Br)cc1F)c1ccccc1	433281777	KLRUHQVRRDXUOB-INIZCTEOSA-N	408.246	5.284	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1	435056555	MQLBNYPNSUSWKL-UHFFFAOYSA-N	415.880	5.134	30	20	HKED	
C[C@@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccc(C#N)cc1	435563116	KQHUUGIVDUCZSF-OAHLLOKOSA-N	400.869	5.042	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccccc1	439308874	AKWCDYUWVJBJIK-LJQANCHMSA-N	412.465	5.179	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1	442693771	PXNGHOUSBIHVGJ-BXUZGUMPSA-N	417.943	5.508	30	20	HKED	
FC(F)Oc1ccccc1CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444737322	BLYQRZIFGFZQDE-CQSZACIVSA-N	413.308	6.090	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(Cl)c1	444906703	NKEYRHYXWYLYBM-UZLBHIALSA-N	413.974	6.493	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)o2)cc1	445999727	XTKZGWRKCYKOSQ-MOPGFXCFSA-N	412.415	5.053	30	20	HKED	
Cc1ccc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc2n1	448145866	LCZBGHHRTYHPPF-UHFFFAOYSA-N	407.473	5.441	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(CCn3ccc4ccccc43)no2)c2ccccc21	460159967	KAIVEZHMCJSZLM-ZHACJKMWSA-N	407.477	5.306	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC=C(c2ccc(O)cc2)CC1	460784767	PURZDFWBYBBOGP-UHFFFAOYSA-N	423.520	5.069	30	20	HKED	
C[C@@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1	462544761	NXDASHZTUZZEMI-SJKOYZFVSA-N	414.349	5.490	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(Cl)c(Cl)c1	463205905	VWUSVXJMVLEZHN-LBPRGKRZSA-N	411.379	6.118	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c1	466384749	ZQUGFZYFTQGIIT-KRWDZBQOSA-N	406.576	5.612	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3ccn(C4CCCCC4)n3)c2)cc1	470846870	APXZXALXLUQVJK-UHFFFAOYSA-N	414.509	5.286	30	20	HKED	
Cc1c(Cl)cccc1-n1c(SCCCC(C)(C)C#N)nnc1-c1ccncc1	475948031	CFMIWGYTHORORP-UHFFFAOYSA-N	411.962	5.713	30	20	HKED	
C[C@@H](NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccc(C#N)cc1	481221400	BGUNEDWILVMSOC-QGZVFWFLSA-N	401.535	5.060	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2F)n1	483218521	DSCKGPCWBWFTTO-GOSISDBHSA-N	416.481	5.242	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(Cc3ccc(CC#N)cc3)CC2)n1	485101090	BGOYZMSGIXXHQG-UHFFFAOYSA-N	403.551	5.264	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(Cl)cc1F	486327560	KOGXXSUQGBCTRS-UHFFFAOYSA-N	420.790	5.895	30	20	HKED	
CCN(CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1	497610739	KZIJANHBQPQOOH-CABCVRRESA-N	404.341	5.125	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1	500993683	FBIIUVCGMVCEHS-UHFFFAOYSA-N	403.419	5.121	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccccc2COCc2ccccc2)c1	502239623	ZBJAETHDULLFJF-UHFFFAOYSA-N	415.493	5.730	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2	504449434	RZIMKRAUMFSSCD-DEOSSOPVSA-N	418.562	5.560	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(C)c1O	505050458	CSTLRKNLMAFALF-NRFANRHFSA-N	419.912	5.640	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccc(SCCOC)cc2)c1	509958256	OUUIRFCSOVNFHN-KRWDZBQOSA-N	400.544	5.263	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	512150422	VKZICFGGTUVUAW-CYBMUJFWSA-N	422.312	5.268	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	515374788	BNNVCHBGXYDXKG-OAHLLOKOSA-N	416.506	5.577	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	516754717	YLJITNDSEGSDQI-AWEZNQCLSA-N	421.419	5.169	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(=O)c2ccccc2)CC1	518169073	MMXNBVYDDSSOBW-QGZVFWFLSA-N	407.539	5.065	30	20	HKED	
Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C	520173597	RIQWIQGTDKOGPQ-SFHVURJKSA-N	417.475	5.262	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1	520855346	JOSZIEAKFPPTNW-KRWDZBQOSA-N	418.566	5.831	30	20	HKED	
Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C	521734307	LUHRRVKCFDJPEV-UHFFFAOYSA-N	408.445	5.346	30	20	HKED	
CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	523422173	FRYHATNPGRFTKF-YOEHRIQHSA-N	415.588	5.135	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)c1C#N	524539078	SFPTXQVPXRRPRL-UHFFFAOYSA-N	420.460	5.692	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCSc2ccccc21	525136736	BWOJJXKAXKRWJG-OAHLLOKOSA-N	422.497	5.929	30	20	HKED	
C[C@@H]1CCc2c(sc(NC(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)c2C#N)C1	525796355	CWFNFRUMLRERIM-GFCCVEGCSA-N	413.518	5.121	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccccc2Cl)nc1	530592024	IXAMOPHXCZFAEH-UHFFFAOYSA-N	407.857	5.438	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1ccccc1	533963302	MEUSMHYTTUJILN-GOSISDBHSA-N	421.518	5.181	30	20	HKED	
Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1NC(=O)c1cccs1	535348294	BRTKTIDLKCJNPN-UHFFFAOYSA-N	419.506	5.244	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(-c2ccccn2)c1C	535840309	NIOPMZWXXWGDEI-UHFFFAOYSA-N	420.472	5.677	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC=C(c2ccccc2C)C1	542954234	DFOLAOHPXAHWKK-UHFFFAOYSA-N	423.516	5.685	30	20	HKED	
Cc1nc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)oc1-c1ccc(Cl)cc1	543336397	RYFKVSGIYDDWAQ-UHFFFAOYSA-N	420.900	5.049	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C	552576722	OIBZRTXWURVHFN-UHFFFAOYSA-N	424.913	5.128	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1c(F)cncc1F	562121754	OVVVFGBVHSHRCO-AWEZNQCLSA-N	408.408	5.215	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F	562228872	UFCCOIRMKZFPHM-IBGZPJMESA-N	408.423	5.376	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	573295461	YGRNZHIAKLBHFF-HNNXBMFYSA-N	406.873	5.147	30	20	HKED	
C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(F)c2ccccc12	575353328	SUAMLSKAUZWJJY-QGZVFWFLSA-N	412.468	5.247	30	20	HKED	
N#Cc1cccc(-c2cc(-c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)on2)c1	576027895	QDMKVAWXGXTWGU-QGZVFWFLSA-N	414.318	5.341	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(F)c(C#N)c2)c1	585735971	BQPPLEVLCWESLA-KRWDZBQOSA-N	415.468	5.059	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)CCCCCC#N	588161602	ZPMKANABRXZCMS-CYBMUJFWSA-N	420.376	5.532	30	20	HKED	
Cc1ccc(-c2csc(N(C(=O)CCCCCC#N)c3cc(C)ccc3C)n2)cc1	588816630	JUAVYUWPKZDFRE-UHFFFAOYSA-N	417.578	6.874	30	20	HKED	
N#Cc1cc(Oc2ccc(NCc3c[nH]nc3-c3ccc(Cl)cc3)cc2)ccn1	589324395	ARQWUPOSQNDCQQ-UHFFFAOYSA-N	401.857	5.401	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2cc(F)ccc2s1	592973977	LWEBGZMAYZJAOA-GFCCVEGCSA-N	419.462	5.795	30	20	HKED	
Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	603962261	QMLMZLFEBISXOF-SFHVURJKSA-N	406.917	5.279	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OCC)n2)nc2sc(C)c(C)c2c1=O	607757437	LWTWWCONUZWQMC-LBPRGKRZSA-N	421.613	5.107	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1ccccc1C(F)(F)F	607830420	FXJIRTNPDMIZGA-SNVBAGLBSA-N	409.301	5.528	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2ccnc2)cc1	609095764	CWHCKZVAOSTILK-UHFFFAOYSA-N	410.452	5.039	30	20	HKED	
COCCOc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	609163916	CHWPCNALJACQAX-OAQYLSRUSA-N	420.896	5.273	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(C)c1ccc(C#N)cc1F	609216334	LTKBDOZPZPTEHM-UHFFFAOYSA-N	409.464	5.427	30	20	HKED	
CCc1nc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1	609355612	LVPSSIZFDJDVFT-UHFFFAOYSA-N	412.902	5.345	30	20	HKED	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2ccc(F)cc12	609378331	FBRJYXWOERBPPX-UHFFFAOYSA-N	422.403	6.157	30	20	HKED	
CCc1nc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2nc1CC	609427821	PONZZFDLISCYMP-HNNXBMFYSA-N	404.539	5.401	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(C(F)(F)F)cc1	609433104	UGICPSGEVHQAQB-AWEZNQCLSA-N	407.461	5.464	30	20	HKED	
Cc1cc(C)n(-c2ccc(CNc3ccc(Cl)c(C#N)n3)c(C(F)(F)F)c2)n1	609449165	TYBLQFDVAWTKFN-UHFFFAOYSA-N	405.811	5.040	30	20	HKED	
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)Nc2cccc(OCCCC#N)c2)c1	609601959	LDXGNFWSHJGKCX-UHFFFAOYSA-N	415.877	5.232	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2)cc1	609989644	RLKJZHBKZIWFMR-NRFANRHFSA-N	420.394	5.315	30	20	HKED	
CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	610016703	NIZYBZPCRKBDOF-HTAPYJJXSA-N	404.514	5.243	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2cc(Cl)ccc2s1	613402502	CESYIPRRGCKBLR-ZDUSSCGKSA-N	413.886	5.702	30	20	HKED	
CCOc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F	615542233	BADSQPMDJQMUSL-IAZYJMLFSA-N	416.337	5.255	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NCc2nc(-c3ccccc3F)cs2)c(Cl)c1	618893708	XIQUSMAAYXDFHW-UHFFFAOYSA-N	406.269	5.058	30	20	HKED	
O=C(Nc1ccc2c(cnn2C(F)F)c1)N[C@H](c1c(F)cccc1F)C(F)(F)F	679566793	MPVMFDYFYPALKW-CQSZACIVSA-N	420.288	5.135	30	20	HKED	
C[C@@]1(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCCc2ccccc21	726327441	ALXLVPPIDYNSFA-IQMFZBJNSA-N	408.473	5.559	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cc1	726913547	JIALULMIUOKAMZ-FTJBHMTQSA-N	410.517	5.981	30	20	HKED	
CC[C@H](/N=C/c1cc(Br)cc(Br)c1O)c1nc(C)cs1	729641082	BNQIKMZYMJMSAB-KLJFIRRPSA-N	418.154	5.252	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OCC(C)C)cc3)n2)cc1	730395089	IVELGUUAISOZFV-OAQYLSRUSA-N	420.534	5.272	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc2cc(F)ccc2s1	730418496	WDNSNRYAEVBYMQ-SCXUMTSISA-N	406.360	5.224	30	20	HKED	
COc1cc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)ccc1OCC#N	731938925	SZUQKWDCUBXANZ-QINSGFPZSA-N	420.465	5.073	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2CCC(C)C)ccc1OC	733627406	JKXQYSWKUVRDIL-FQEVSTJZSA-N	409.530	5.286	30	20	HKED	
CC[C@@H](OC1CCCC1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	733679476	IWMYDLACTZXXIZ-CRAIPNDOSA-N	423.365	6.031	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1	733773204	VIVSMBWWIORRNG-BPQIPLTHSA-N	403.309	5.094	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)n2)cc1	734966274	XIOTYMXIBLZXRZ-BZUAXINKSA-N	410.445	5.077	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cc(Cl)cs3)n2)cc1	737326007	MFGFJEUBMYDMFW-MRXNPFEDSA-N	402.928	5.343	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4c(C)cccc34)n2)cc1	741437252	GZOSGUGIALDQPG-LJQANCHMSA-N	401.491	5.027	30	20	HKED	
Cc1c(C(=O)/C=C\c2csc(-c3cccs3)n2)cnn1-c1ccc(C#N)cc1	741852622	OVDCOBGWECEARW-TWGQIWQCSA-N	402.504	5.134	30	20	HKED	
O=C(/C=C\c1cc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)CC(F)F)cc1	741852785	SHKCYWQQBPWKEK-FLIBITNWSA-N	418.486	5.350	30	20	HKED	
COc1ccc(Cl)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	742993755	AVLVGTNJJZGDAJ-UHFFFAOYSA-N	423.925	5.608	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	744075758	WBYCMADOAGZJFZ-HIFRSBDPSA-N	414.452	5.673	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)cc(Br)c1O	744869241	SAKQERJAEQDNRA-IHWYPQMZSA-N	408.100	5.428	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1F	745957000	QFWIJFZFVQGZSF-OAHLLOKOSA-N	421.501	5.482	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	748840059	VXOYFFPEQKAAGJ-XQQFMLRXSA-N	400.475	5.438	30	20	HKED	
CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C#N)s1)C(=O)c1ccccc1	748998185	LLTRGDMYMDEUBI-JCMHNJIXSA-N	414.530	5.650	30	20	HKED	
Oc1ccc(-c2ccccc2)cc1C=Nn1c(S)nnc1-c1ccccc1Cl	749444830	XLCGDGGNQUINBJ-UHFFFAOYSA-N	406.898	5.142	30	20	HKED	
N#Cc1ccc(CN2C/C(=C/c3cccs3)C(=O)/C(=C/c3cccs3)C2)cc1	749454119	WHIWZAFLNWXVDR-UHWBUFEVSA-N	402.544	5.233	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c(Br)c1	753525938	FSOMPBLBIXTMCI-ZDUSSCGKSA-N	415.674	5.098	30	20	HKED	
CCOC(=O)Nc1ccc2c(CSc3ccc(C#N)cc3Cl)cc(=O)oc2c1	757391163	ICMVIWAEGJRHKY-UHFFFAOYSA-N	414.870	5.179	30	20	HKED	
C=CC[C@H](NC(=O)C[C@]1(CC)OCCc2c1[nH]c1c(CC)cccc21)c1ccncc1	759113591	LATXKHYMYZPIPZ-NVQXNPDNSA-N	417.553	5.127	30	20	HKED	
Cc1noc(C)c1-c1ccc(OC(=O)c2ccc(COc3ccccc3C#N)o2)cc1	759904977	CQHUVYXHZPRNTN-UHFFFAOYSA-N	414.417	5.221	30	20	HKED	
CC(=NOCc1noc(-c2scnc2C)n1)c1ccc(-c2ccc(F)cc2)s1	760434029	CTWRZGYLTCIKQB-UHFFFAOYSA-N	414.487	5.310	30	20	HKED	
C=CCNC(=O)c1cccc(-c2noc([C@@H](C)Sc3nc4ccccc4s3)n2)c1	761846179	CXXPTTNXXXESOF-CYBMUJFWSA-N	422.535	5.115	30	20	HKED	
Cc1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1NC(=O)c1ccccc1F	764614307	RSLCNUMIASUHQP-INIZCTEOSA-N	402.425	5.176	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1	765661178	ISCQKLAGIIGEJD-IBGZPJMESA-N	412.961	5.082	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c2ccccc21	769545445	XQDPNIIHMXSNIX-UHFFFAOYSA-N	420.856	5.005	30	20	HKED	
CC(C)Oc1ccc([C@@H]2CCC[C@H]2Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1	777117997	PYZUCVSDNVAKSD-LOSJGSFVSA-N	419.569	5.055	30	20	HKED	
N#Cc1cc(NC(=O)c2c(C(F)(F)F)ccnc2Cl)ccc1Oc1ccccc1	777973143	HALPASPDXSOJTN-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)Nc3ccccc3O[C@H](C)C#N)cs2)cc1	780163198	KSBJRYHWVGXXJY-OAHLLOKOSA-N	407.495	5.140	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(OCc2cccc(F)c2)cc1	780671501	RYTKXECLNXDBJT-QGZVFWFLSA-N	419.456	5.017	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1	780681215	KPPFGKKLBDGIEF-AWEZNQCLSA-N	403.404	5.193	30	20	HKED	
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C[C@@H](C)c2nccs2)c1=S	784040362	WLSZVSRECKCALB-CQSZACIVSA-N	420.007	5.070	30	20	HKED	
C[C@H](NCc1ccc(Br)c(Br)c1)c1ccc(C#N)cc1F	784681649	QDYGSLZTLDDXFE-JTQLQIEISA-N	412.100	5.073	30	20	HKED	
Cc1cccc2sc(C(=O)[C@H](C#N)C(=O)NCc3cccc(Cl)c3)c(Cl)c12	786536401	AZZQEVNHNMYKKO-AWEZNQCLSA-N	417.317	5.155	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)on2)c1	789896051	HQASYKPZOCVAGK-JOCHJYFZSA-N	404.429	5.121	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	799933899	FJMNIQFBEPGVEI-UHFFFAOYSA-N	402.406	5.138	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1	806200279	CFNNYTFQECUARI-CWTOASCOSA-N	421.544	6.142	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(C)n1[C@H](C)c1ccccc1	813218565	XMNOQWWJWDZBMX-QRWLVFNGSA-N	411.427	5.618	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2sccc2Br)ccc1OC(F)F	915113411	OONJQIBCCDJMQP-HYXAFXHYSA-N	403.244	5.407	30	20	HKED	
CC(C)c1ccc(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	916000773	QBOHIAKZIAIEKK-UHFFFAOYSA-N	401.535	6.070	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(C(F)(F)F)cc1	916310144	UKILIPPEWSHZMP-UHFFFAOYSA-N	413.424	5.334	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1nc2ccccc2s1	916846233	MIHAHADPAIXZAJ-INIZCTEOSA-N	414.452	6.003	30	20	HKED	
N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc2ccccc2s1	916846523	YHODKCSYJBFGKS-KRWDZBQOSA-N	418.905	5.872	30	20	HKED	
CCCCCNC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1	916877045	AHROXLBKPHXWKZ-CCCPALQASA-N	400.931	5.097	30	20	HKED	
CC(C)(C)[C@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2C1	916908132	YRGFLUGRHSPWDB-GJZGRUSLSA-N	414.958	5.514	30	20	HKED	
CC(C)(C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	916927172	DVEPJQXGTOXCJE-AWEZNQCLSA-N	419.308	5.017	30	20	HKED	
Cc1cc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1Cl	917043488	MDNLIEHBRDHBJV-ZDUSSCGKSA-N	424.831	5.532	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1	919904203	AVOJGCQKAKVADK-XMMPIXPASA-N	415.493	5.023	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(C2SCCS2)cc1	920101844	KSXXHNLTNXQCHP-QGZVFWFLSA-N	406.532	5.160	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3Cl)n2)cc1	920138383	GMHBNEHNCFOPKF-MRXNPFEDSA-N	417.317	5.544	30	20	HKED	
COc1cc(/C=C\C(=O)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OCC(F)(F)F	921261521	GVQCODPVASJBMD-SREVYHEPSA-N	421.327	5.187	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C)n3)CCC2)cc1	1785840788	GILWNXSTTNMORV-UHFFFAOYSA-N	405.542	5.130	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3C)CCC2)cc1	1789456555	WNPGMXXZEFRGHO-JOCHJYFZSA-N	417.553	5.215	30	20	HKED	
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(O)c2)c1	10172474	XDKCRSXCDQQBKT-UHFFFAOYSA-O	411.934	5.001	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(C)c2)c1	14872193	IHGCQKBFSGMRIK-UHFFFAOYSA-O	415.991	5.611	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccccc2Cl)nnc1[C@@H]1COc2ccccc2O1	23592319	OFUFJJWMJSQZHI-KUHUBIRLSA-N	413.930	5.483	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1	195662816	YITXLEVPBYDPFC-SUMWQHHRSA-N	415.440	5.594	30	20	HKED	
Cc1sc2nc(CN3CCCC3)nc(N[C@H](CCC#N)c3ccccc3)c2c1C	301813858	ZIXKLHKIWZQVSN-LJQANCHMSA-N	405.571	5.361	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cn2)n1	302936191	AGXQMIJFVXCHPW-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCSc2c(F)cccc21	303419237	XVBWICNJHNDFMX-CZUORRHYSA-N	401.532	5.436	30	20	HKED	
COc1ccc2ccccc2c1CN(CCCC1(C#N)CCOCC1)C1CCCC1	410343056	BHVSCYHTMKREGQ-UHFFFAOYSA-N	406.570	5.694	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	429675389	MWHUFJCMADUIJN-UHFFFAOYSA-N	401.432	5.618	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1OC(C)C	431813442	WHZUUTFLEWLCRS-NQIIRXRSSA-N	409.530	5.278	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1	432269889	JOKFMYXAGMEWAJ-UHFFFAOYSA-N	421.504	5.100	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@H]1c1ccncc1	432991571	GHHBPKYSNHCNMX-QFIPXVFZSA-N	416.456	5.500	30	20	HKED	
C[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1	434826958	HULAYVPVAQPCEM-FQEVSTJZSA-N	415.562	5.504	30	20	HKED	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	435104698	SAECEARILQOALW-WWEVIYMKSA-N	403.526	5.517	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21	435130996	AFXKAHMWKOCNCT-MEKIYTOJSA-N	403.526	5.631	30	20	HKED	
CC(C)(CO)[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccs1	436504796	OJAAYWQLAKCVNL-NRFANRHFSA-N	421.522	5.293	30	20	HKED	
CCC[C@]1(C)CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	437899990	YCQCAPMYAYPGNL-RUZDIDTESA-N	405.542	5.766	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	438036625	HMQJOAJQULWWNO-KAGYGMCKSA-N	407.583	6.189	30	20	HKED	
C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1cccs1	460376252	OGTCDERXRJXQNR-HXUWFJFHSA-N	403.555	5.329	30	20	HKED	
C[C@H](c1cccc(C#N)c1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	461800497	YRUNOUHAIOLPDN-QGZVFWFLSA-N	405.461	5.158	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	462910136	CLFKRWFWQAGCQJ-NTKDMRAZSA-N	416.452	5.140	30	20	HKED	
C=CCN(C(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)c1nc(-c2ccccc2)cs1	463109315	QLIJPXKSMCUOGW-GOSISDBHSA-N	418.566	5.274	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	467705851	SGWZITBHLCZYGV-IRXDYDNUSA-N	405.527	5.149	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N(Cc3cccc(-c4cccnc4)c3)C3CC3)on2)c1	469141388	KMPRPZCWJYILKH-UHFFFAOYSA-N	420.472	5.080	30	20	HKED	
C=CCc1cc(CNC(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc(OC)c1OC	470270624	LMNXVBQUBNBHRU-UHFFFAOYSA-N	421.497	5.026	30	20	HKED	
N#Cc1c(NC(=O)c2ccn(C3CCCCC3)n2)sc2c1-c1ccccc1CC2	470831557	MGYCWBAQZFYKLU-UHFFFAOYSA-N	402.523	5.339	30	20	HKED	
CC(C)n1nc2c(c1NC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)CCC2	471704295	DHNFDDFSDRPLMJ-UHFFFAOYSA-N	400.482	5.063	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc3ncccc3c2)cc1	473644615	DNUDSGADUKRWHX-UHFFFAOYSA-N	409.514	5.329	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1	475160125	AMEMHVTWACWZOL-CQSZACIVSA-N	422.381	5.458	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1	475567323	LCCJGMIQVSDAGZ-SFHVURJKSA-N	421.516	6.230	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	475577817	IGPRUWAGGNWFJM-UHFFFAOYSA-N	423.513	5.522	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1	480339972	XFRGPGLDKAWBOI-UHFFFAOYSA-N	405.951	5.007	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	481247572	XBJNVRBVZDQSBD-BBRMVZONSA-N	421.394	5.684	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(F)cc3)no2)nnc1-c1cccc(OC)c1	481358432	HNCLFBKEDMIWJM-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C[C@H](Cc1cccs1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481627461	PFVARAKXEMUBIR-OAHLLOKOSA-N	409.486	5.091	30	20	HKED	
Cc1ccc2c(c1)CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)C2	483703564	UHLMFVCJNMOXAG-UHFFFAOYSA-N	411.505	5.344	30	20	HKED	
CO[C@H](C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)s1	487227800	HYQKQTKUAKDPKS-OLZOCXBDSA-N	417.600	5.495	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	494533475	WFAIDYRTELWNSZ-MRXNPFEDSA-N	419.447	5.574	30	20	HKED	
CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H](C)c1ccc(C#N)cc1	497620528	ZMRYRVRVCUFTAB-AWEZNQCLSA-N	400.404	5.210	30	20	HKED	
COc1cccc(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	498210910	QRGGVESQOMBOMD-NRFANRHFSA-N	422.937	5.735	30	20	HKED	
N#CC1(CCCNC2(c3cccc(Br)c3)CCCCC2)CCOCC1	499545266	BFJKGXSEQBCEKI-UHFFFAOYSA-N	405.380	5.299	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	500306551	PUFIAKKIZUSBJO-PMACEKPBSA-N	400.444	5.365	30	20	HKED	
Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)no1	501139508	ZONJRPSABKSHGQ-NRFANRHFSA-N	417.469	5.191	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cs2)cc1	501881131	JRKDYAWUNMEEHW-UHFFFAOYSA-N	421.522	5.508	30	20	HKED	
N#C[C@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1cccc(Cl)c1Cl	505308178	NNBCSBQEWQJLKM-HNNXBMFYSA-N	424.209	5.555	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1	505818629	CCACYCNIFZETFD-KRWDZBQOSA-N	402.306	5.040	30	20	HKED	
C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1	505919055	NMOVSKCOQZZRLB-UNMCSNQZSA-N	417.553	5.077	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1	505999928	QXUUPYVWQGQUJR-INIZCTEOSA-N	422.510	5.053	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(C#N)s2)c(Br)c1	508241278	YXMQMMFHQRTAQB-UHFFFAOYSA-N	415.312	5.126	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1	509630021	AERWBTGPIGJFPT-VQTJNVASSA-N	401.432	5.055	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1	510844191	YZECURKJRBCWNT-UHFFFAOYSA-N	407.307	5.120	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1	510988600	WOEBIGJXNNOJPR-SFHVURJKSA-N	418.896	5.257	30	20	HKED	
N#CCCN(C(=O)CCSc1ccc(Br)cc1)c1ccc(F)cc1	515527905	BTLCEGYCIDCFGS-UHFFFAOYSA-N	407.308	5.017	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)Cc1ccc(C#N)cc1	515553196	WVWVUVGQVVSHCV-UHFFFAOYSA-N	423.925	5.106	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1cccc(C)c1	515559803	YQZCBVIGPCWWPX-HXUWFJFHSA-N	420.582	5.415	30	20	HKED	
CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1	518139663	VDWNBDFEKFXBKI-LJQANCHMSA-N	418.324	5.097	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cn2)cc1	519063911	CLFLRJNYKHQHGH-UHFFFAOYSA-N	400.482	5.497	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)ccc1Cl	519515745	UJUFHQSWEGXXJX-LLVKDONJSA-N	409.736	5.749	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1	520324164	GMHGKDVIOQRMRA-MRXNPFEDSA-N	417.896	5.765	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCc2ccccn2)cc1Cl	520514559	OEKRVCHIQDMNEQ-HXUWFJFHSA-N	407.926	5.262	30	20	HKED	
Cc1cc(Cl)ccc1OCCCNC(=O)Nc1ccccc1SC[C@H](C)C#N	521259994	SVRXKYAAKFZLPY-OAHLLOKOSA-N	417.962	5.491	30	20	HKED	
Cc1ccc(C)c(OCCCCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1	521886122	LJVMZZBWVOJREF-IBGZPJMESA-N	404.432	5.252	30	20	HKED	
C[C@H]1SCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H]1c1ccccc1	522794595	HEMUFJXAKJXQCQ-HXOBKFHXSA-N	418.518	5.049	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	523504260	NATRZQZKQUVOEY-UHFFFAOYSA-N	420.431	5.051	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc2ccccc2s1	526958515	HHTALDNPJDVPOS-HUUCEWRRSA-N	423.563	5.111	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@H](C)N[C@H](C)c3ccc(C#N)cc3)s2)cc1OC	532206834	WQLWHJHDFARXJH-CVEARBPZSA-N	421.566	5.343	30	20	HKED	
CC(C)(C)c1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)c(C#N)s1	534519816	HCRBZBSKJMEWLT-UHFFFAOYSA-N	411.552	5.444	30	20	HKED	
CC(C)c1ccc([C@@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1	536291855	ZBOLQHXAAWWKKX-QHCPKHFHSA-N	403.526	5.154	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cc(F)ccc1F	540460312	INCYZXREPCXYJH-KBXCAEBGSA-N	403.498	5.038	30	20	HKED	
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccccc2CCC(F)(F)F)n1	542978556	DAZOHUKRQVNQRS-UHFFFAOYSA-N	418.806	5.145	30	20	HKED	
Cc1csc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	543473735	MDZVDAGDQONHGO-DOTOQJQBSA-N	404.539	5.154	30	20	HKED	
C=CCSCCNC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1	553970421	WTLJBKUFJBNSQU-UHFFFAOYSA-N	408.470	5.004	30	20	HKED	
COc1cc(CNC(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)ccc1C#N	562083472	WXQQTPILULYOPZ-UHFFFAOYSA-N	424.551	5.113	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)CC2	566944577	UBNKEUNUWSCPLT-PKTZIBPZSA-N	418.338	5.277	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccccc3)CC(F)F)cc2)ccn1	567800133	WCGHNLXJMCMJBM-UHFFFAOYSA-N	408.408	5.045	30	20	HKED	
CCSCc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	568948747	YNAQISGFOMARHN-UHFFFAOYSA-N	415.518	5.316	30	20	HKED	
N#Cc1c(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)n[nH]c1C1CC1	572514022	DVFKDLZZIHTTTO-NRFANRHFSA-N	422.941	5.273	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1cccs1	572684341	AZVZZPBEUGXOHO-INIZCTEOSA-N	412.584	5.168	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	578461609	YIJNSVZHUPSHNU-UHFFFAOYSA-N	404.514	5.071	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)cn2)cc1	603690050	GKUNFTJJWMRBDQ-UHFFFAOYSA-N	414.440	5.206	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Br)cc1F	604486313	OYQODMNXIALJPB-UHFFFAOYSA-N	417.322	5.077	30	20	HKED	
COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-]	604566645	QHMJDQOAAXSKEO-SFHVURJKSA-N	421.840	5.165	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1	609384764	RIULFVDQTPUSGR-IBGZPJMESA-N	415.562	5.580	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(OC(F)F)c1	609389193	CAGRBOPLAAQDMY-AWEZNQCLSA-N	422.522	5.412	30	20	HKED	
N#CCCN(C(=O)CCC(=O)N(Cc1ccsc1)c1ccccc1)c1ccccc1	609459278	BHMZBOQNLVUMNJ-UHFFFAOYSA-N	417.534	5.008	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3Cc3cccc(F)c3)c2)cc1	609660019	JBTAYSWSZFRMEJ-XMMPIXPASA-N	414.480	5.124	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1	609930259	XGFAZRCZPMSYSL-HTAPYJJXSA-N	402.523	5.387	30	20	HKED	
O=[N+]([O-])c1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F	610273320	VJBWWBWMKGDAGR-HTQZYQBOSA-N	422.272	5.518	30	20	HKED	
CC1(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCC(F)(F)CC1	612300519	KGOWTEIFJPZART-UHFFFAOYSA-N	413.468	5.421	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)s2)cc1	613292287	FLSCPCFEKSUBFJ-IBGZPJMESA-N	413.502	5.556	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nc2cc(F)ccc2s1	675131220	ZRPYIULYYTYIOW-KRWDZBQOSA-N	407.857	5.641	30	20	HKED	
COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc1NC(C)=O	726428283	JIRHILRKJAPSCF-WYMLVPIESA-N	401.462	5.129	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc2cc(Cl)ccc2s1	727038937	QKUHAIHTXPDOQN-UWJYYQICSA-N	410.926	5.826	30	20	HKED	
C[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)CC(C)(C)C1	727628031	GAWUCCDVNLZNRG-IIAWOOMASA-N	411.571	5.304	30	20	HKED	
CCCN(C(=O)NCc1ccc(OCC#N)cc1)[C@H](C)c1ccc(Cl)c(Cl)c1	727941769	DTVABFUKINRTLK-OAHLLOKOSA-N	420.340	5.579	30	20	HKED	
O=C(Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1)Nc1ccccc1F	727973234	VQVISHCOWMPRIU-UHFFFAOYSA-N	417.267	5.770	30	20	HKED	
C[C@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1	728175291	OSPRPGOGCIYRJX-AWEZNQCLSA-N	411.527	5.385	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12	730419646	LYDDGLRSMQIXTQ-UHFFFAOYSA-N	420.516	5.467	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2sccc2C)ccc1OCC(=O)Nc1ccccc1	733748685	GVSDFSVJBDRYLN-LUAWRHEFSA-N	421.518	5.369	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)c1	733773015	LKCLRHUQUDFQCQ-QFIPXVFZSA-N	416.546	5.590	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)NCc1cccc(O[C@H](C#N)CC)c1	733845493	SFLSEXNQLPULNM-INIZCTEOSA-N	403.935	5.455	30	20	HKED	
Cc1cccc(C)c1NC(=O)CCCSCc1cc(Cl)ccc1OCC#N	735318752	PVHBXHCVJQYSSK-UHFFFAOYSA-N	402.947	5.511	30	20	HKED	
COc1ccc2oc(C)c(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c2c1	739596571	YLGUCALLLWNFJU-UHFFFAOYSA-N	402.475	5.280	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F	741635133	JHBVARPASFQHFV-UHFFFAOYSA-N	411.379	5.044	30	20	HKED	
Cc1ccc(C)c(-n2ncc(C(=O)/C=C\c3ccc(Oc4cnccn4)cc3)c2C)c1	743056263	SONPCOSLNDTZAY-FLIBITNWSA-N	410.477	5.276	30	20	HKED	
CC(=NOCc1csc(C2CCCCC2)n1)c1nc2ccccc2n1C(F)F	744179247	ICRKCRIBFDCJLK-UHFFFAOYSA-N	404.486	5.876	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2coc3ccccc23)cs1	747706453	WQCFDYWDHHZQPF-DHZHZOJOSA-N	406.438	5.609	30	20	HKED	
O=C(Nc1cccc(C(F)(F)F)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	749367926	PGAZRFSUYDCVGQ-UHFFFAOYSA-N	402.216	5.390	30	20	HKED	
CC[C@@H](Oc1cccc(C)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	750692533	RXLRFMZHNZNNLI-PZJWPPBQSA-N	406.507	5.161	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCCCC[C@@H]1C[C@H](O)c1cccs1	750840400	ZZZMWCNMLDMZMP-MOPGFXCFSA-N	404.963	5.172	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2ccc(Br)c(Cl)c2Cl)c1	757942147	IASPTVOEMRHVEL-UHFFFAOYSA-N	400.128	5.546	30	20	HKED	
CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCN(Cc2ccccc2)C1	762214143	LWIMFDGFUGTVHR-UIOOFZCWSA-N	424.548	5.080	30	20	HKED	
Cc1cc(/C=C\C(=O)c2cc(Br)ncc2F)cc(C)c1OC(F)F	762422713	LLLDAZVIODGPDU-ARJAWSKDSA-N	400.194	5.098	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])cc1F	762993617	CJEDKNLBCFDUDT-LBPRGKRZSA-N	417.849	5.151	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	763882833	YRLUOHNZIBGPBY-PXNSSMCTSA-N	415.578	5.306	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1)c1ccncc1	765498729	ITRNANBQYUNKBN-YADARESESA-N	401.510	5.338	30	20	HKED	
Cc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1NC(=O)OC(C)(C)C	767969690	MCGZOHROVYIBBC-UHFFFAOYSA-N	417.509	5.143	30	20	HKED	
Cc1c(C(=O)COC(=O)c2cn(CCCC#N)c3ccccc23)oc2ccccc12	769543325	JNTDUWAPZBARET-UHFFFAOYSA-N	400.434	5.039	30	20	HKED	
COc1ccc(CNc2cccc(C3SCCS3)c2)cc1OCCCC#N	770511857	CMIJDBAHUFLXME-UHFFFAOYSA-N	400.569	5.468	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H]2c2nc3ccccc3s2)cc1	771296369	MPEDUKHVHNLGOH-WIYYLYMNSA-N	418.566	5.077	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1NC(=O)OC(C)(C)C	772545660	GIJGAXCHOSYBJW-OAHLLOKOSA-N	407.495	5.442	30	20	HKED	
C=CCc1cc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC	779093893	LXHJHYQYUFZYAY-DEOSSOPVSA-N	418.493	5.220	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nc2ccccc2o1	781451942	NALMHOCNMLMCRM-LBPRGKRZSA-N	404.775	5.408	30	20	HKED	
O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C/c1ncc(C(F)(F)F)s1	788349247	HDYGLSSFOWOYBR-WEVVVXLNSA-N	423.363	5.072	30	20	HKED	
Fc1ccc(-c2nnc(S)n2N=Cc2cnc(-c3ccc(Cl)cc3)s2)cc1	788976031	SYTBJSPGQNVDNY-UHFFFAOYSA-N	415.906	5.032	30	20	HKED	
O=C(C[C@@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O)Nc1cccc2ccccc12	790729075	WVRQAWVPUJGJKA-IBGZPJMESA-N	421.547	5.024	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)sc2ccc(C#N)cc12	796757309	VRAVONMOTLVYKJ-CQSZACIVSA-N	406.417	5.316	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1nc(Br)sc1C1CC1	813399130	JJICMQITUDUXOX-JTQLQIEISA-N	422.373	5.287	30	20	HKED	
COc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1	863967156	HIIBVBIRUKNHDY-UHFFFAOYSA-N	418.518	5.338	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(Cl)c(Cl)c1	914519704	BCSUHFNDDXZBAE-UHFFFAOYSA-N	414.267	5.555	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1SC(F)F	914766467	KARVEAMPFBKHGE-HTQZYQBOSA-N	422.341	5.036	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1	915350288	PUOKQPBEFRCKQH-UIOOFZCWSA-N	424.548	5.128	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1	915353464	NPPCCAMGPGLVJQ-ZEQRLZLVSA-N	415.924	6.364	30	20	HKED	
Cn1c([C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)nc2ccccc21	916845458	XPSACTVTVGORNC-XSLBHYSZSA-N	417.921	5.845	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccccc3)n2)cc1	916915084	CKAKKMWQZPUTKG-HXUWFJFHSA-N	417.534	5.038	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccc(OC)c(Cl)c2)cc1	916947705	ANBFKRUWCOBYLQ-BEFAXECRSA-N	412.917	5.142	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12	920105735	DTDVMMRVXYYMOU-FQEVSTJZSA-N	406.441	5.510	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1	1785800626	RWMMZLGEFBIMSC-SFHVURJKSA-N	416.512	5.324	30	20	HKED	
CC[C@@H](C)[C@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1ccccc1	1787717580	XDGZPUBEHHSOQQ-DVECYGJZSA-N	417.553	5.254	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccccn3)cc2)CCC1	1791941714	QBXWIGCCRZPHOM-UGKGYDQZSA-N	417.553	5.088	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1	1823755255	QGVMSSDJBFYGSZ-JOCHJYFZSA-N	414.634	5.179	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(CC)cc2)[n+]2ccccc2CC)cc1	10173624	HXVOVYABNMGIRT-UHFFFAOYSA-O	417.598	5.712	30	20	HKED	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc(C)cc(C)c2C#N)cs1	10266857	MMGJLFZNILQSKS-UHFFFAOYSA-N	422.579	5.620	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(C)c2)cc1	11268639	CVLMIASWUJWIDL-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccco1	11309207	RZZBINNYJJMSDI-NSHDSACASA-N	423.325	5.150	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)cc1)[n+]1ccccc1CC	22732023	SDTOZGXJJNTSJZ-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cn2cccn2)cc1	56470024	KSJXEUVFPUFOMZ-UHFFFAOYSA-N	408.461	5.156	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	57785542	KJBZHKGCRPSQBT-UHFFFAOYSA-N	405.885	5.455	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc3ccccc3[nH]2)cc1Cl	58628576	SCHWNVZQSBTQLH-NRFANRHFSA-N	414.896	5.798	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1	61261433	SBSQRXATYBBFAF-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(SCc2csc(C)n2)cc1	62905245	RLLFEALEKAZRIP-UHFFFAOYSA-N	419.575	5.444	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1OCCCC#N	237291049	KIKVMTBPXDFOHJ-IBGZPJMESA-N	401.510	5.291	30	20	HKED	
N#CCCCOc1cccc(NCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1	237872670	DLVVMIHOXKMDSB-UHFFFAOYSA-N	419.912	5.887	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3nccc(C#N)c3[N+](=O)[O-])cc2)cc1	301625042	GXFLOBIENUJMNP-UHFFFAOYSA-N	416.437	5.204	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1	431867448	ZIKRNBWXJXYMBQ-JOCHJYFZSA-N	417.896	5.020	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)c2)cc1	433263832	XIKLKDWEASCUSE-BJKOFHAPSA-N	415.468	5.148	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1F	435203867	ZJJAPTJXMFKGQD-UHFFFAOYSA-N	419.525	5.082	30	20	HKED	
CN(CC[C@H]1CCCCN1C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	437769779	DVQASTHIYODETQ-IFMALSPDSA-N	424.976	5.334	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1	437827826	IVLVVXYMWAOHAZ-CABCVRRESA-N	401.432	5.573	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1	437987055	NPKULIBVZDYNKE-LBPRGKRZSA-N	405.832	5.571	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	439395488	WGOQEUSNTBGUQS-QFIPXVFZSA-N	416.437	5.554	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccsc3)c3cccnc3)cc2)nc1	440735734	XTYWBIODGLIEFY-UHFFFAOYSA-N	412.474	5.049	30	20	HKED	
N#CC1CCC(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)CC1	441140361	YOHFWSGJORULAA-UHFFFAOYSA-N	405.523	5.180	30	20	HKED	
CCCc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	442671394	KVFIECOOVAAWAU-GFCCVEGCSA-N	422.362	6.016	30	20	HKED	
CC(C)(C#N)CCCCN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	444649272	PFKADYRGNMDJMB-UHFFFAOYSA-N	408.521	5.548	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)cc1	460676327	IIGPDFDQBTVCGO-JOCHJYFZSA-N	413.521	5.349	30	20	HKED	
CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	463578808	QVPWTYFIYOIBEE-RDPSFJRHSA-N	406.526	5.256	30	20	HKED	
C[C@H](C(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@H]1C)c1cccc(C#N)c1	464047942	YSPIZGUCQGGMIS-UXHICEINSA-N	423.516	5.020	30	20	HKED	
Cc1ccc(-c2nc(CNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)co2)cc1	465195795	IXFHHOVUICPUJD-UHFFFAOYSA-N	423.472	5.031	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(-n2cccn2)c1	466664223	KHHSOKJUQPFWIQ-SFHVURJKSA-N	423.476	5.419	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	467993864	JGPZYCJIAQEJFT-FXAINCCUSA-N	422.291	5.291	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nc2sccc2c1=O	468625592	RKPVEFFFJVDXOE-CQSZACIVSA-N	424.551	5.164	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(SCc3ccccc3)cc2)CCC[C@]12CCCCO2	468646301	WYKSRERDCQONOS-LADGPHEKSA-N	406.551	5.046	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	475557823	FGSAIHADRWDTFH-OAQYLSRUSA-N	406.526	5.679	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1	475607759	MJKPXYZLOHVEMR-UHFFFAOYSA-N	405.360	5.220	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	476124968	ZZWOPLIXDFIBOO-UHFFFAOYSA-N	424.629	6.122	30	20	HKED	
CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@H]1c1ccncc1	476492225	QMBAHGVQMAAHRF-QFIPXVFZSA-N	417.896	5.622	30	20	HKED	
C=C(C)[C@H](N[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)c(F)c1	481625237	WBVICWOEQZGXPO-AOMKIAJQSA-N	424.495	5.001	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@H](C#N)c1nc2ccccc2o1	482549927	BHIJFTJQATXEHP-AWEZNQCLSA-N	411.339	5.300	30	20	HKED	
CCc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1C(CC)CC	482678244	BFSBAHKEYDRVLD-UHFFFAOYSA-N	406.486	5.103	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1	484465297	MKAKVIPPRKPJJP-INIZCTEOSA-N	402.523	5.040	30	20	HKED	
CC(C)CCn1ncc(NC(=O)Nc2cc(C#N)ccc2OC(F)F)c1C(C)C	486910201	FOELEFDTGZNQIK-UHFFFAOYSA-N	405.449	5.170	30	20	HKED	
C=C[C@@H](CC(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccccc1	486918910	DBAJHUUSOJPHIU-KRWDZBQOSA-N	419.443	5.067	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)cs1	494512572	KHULAMJQRMMTOJ-ZDUSSCGKSA-N	418.360	5.267	30	20	HKED	
COc1cc(Br)cc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	499888859	PMWJFSNHPNOOFZ-LBPRGKRZSA-N	420.332	5.496	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)CCc3cccc(F)c3F)c2)cc1	504639611	SPGZUVXLUKIMAC-UHFFFAOYSA-N	406.432	5.181	30	20	HKED	
N#C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1cccc(Cl)c1Cl	505313396	FXMALCAKZDPIAG-INIZCTEOSA-N	402.306	5.040	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(C#N)cc1	505333536	OBIWAFZCWCJOAN-SNVBAGLBSA-N	412.209	5.222	30	20	HKED	
N#C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1cccc(C(F)(F)F)c1	505913259	SIKLRRZEVJKPHG-MRXNPFEDSA-N	412.333	5.137	30	20	HKED	
COc1ccccc1-c1csc(NC(=O)c2ccccc2-c2ccccc2C#N)n1	509494490	MQAGYSMFLVTFMP-UHFFFAOYSA-N	411.486	5.610	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(F)c(Br)cc1F	510120628	TZPBPEIXGCJQSR-UHFFFAOYSA-N	413.221	5.518	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1Br	510201716	YTEGFMDXFLDVHR-UHFFFAOYSA-N	424.323	5.114	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1	512823022	JCOIJEOVPFQKRS-QGZVFWFLSA-N	404.510	5.523	30	20	HKED	
C=CCOc1cccc(NC(=O)c2c(Br)cccc2Br)c1	512846495	PVPKLEXUMPQLQY-UHFFFAOYSA-N	411.093	5.029	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3Cc3ccc(F)cc3)o2)cc1	517853421	VIQQHNYBHJHIIJ-NRFANRHFSA-N	418.468	5.107	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)nc1	518907064	KANCNSNPKNPGRF-UHFFFAOYSA-N	407.429	5.790	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1	521144710	ANIAOKOJHVOMIC-UHFFFAOYSA-N	404.510	5.160	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2cccnc2)c1	521725519	DWOCVJMBDXFMLV-QGZVFWFLSA-N	403.507	5.165	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cccn3Cc3cccs3)cc2)c1	524124055	GTDQEGKROTYXOI-UHFFFAOYSA-N	413.502	5.301	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2cc(Cl)ccc2s1	531203446	XWEGBDNGBFJPCL-MJGOQNOKSA-N	409.942	5.181	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2Cl)nc1	531442132	NNXAUUTWDFGZCB-PZJWPPBQSA-N	417.896	5.439	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1	532581441	WMHKDTXTLGXAQN-SJLPKXTDSA-N	413.974	5.162	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cc(-c3ncco3)ccc2C)c1	533952266	WZERCOTUPWPPTQ-IBGZPJMESA-N	402.498	5.014	30	20	HKED	
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSC3CCOCC3)c2C#N)C1	534418448	NUUGDTMEXLMQOE-AWEZNQCLSA-N	406.617	5.012	30	20	HKED	
N#CC1(CCCNc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)CCOCC1	538611140	GJNDONAWQRENGD-DEOSSOPVSA-N	417.553	5.176	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1	538617341	NPFYURCWDQFUEC-GGAORHGYSA-N	421.541	5.161	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCc1ccc(I)cc1	539239363	MJQSCRFPWZIZBV-ZDUSSCGKSA-N	408.308	5.298	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Oc1ccccc1C#N	539754471	BKBJOHJVMBOEFQ-KRWDZBQOSA-N	413.502	5.855	30	20	HKED	
O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1	540390282	HZFRZNNSXOEHGI-UHFFFAOYSA-N	413.667	5.316	30	20	HKED	
CC(C)CO[C@@H](C)c1noc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	541085810	UFSYKCCBWFURPM-ROUUACIJSA-N	404.514	5.193	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)c1	541094655	RSGRLSZTKRPXDQ-UHFFFAOYSA-N	411.461	5.290	30	20	HKED	
C[C@@H](NC(=O)N(Cc1cccs1)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1	543017314	OLGXECINBBAMFP-QGZVFWFLSA-N	401.535	5.722	30	20	HKED	
Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543883258	DPFRGFHUZHQXRQ-QGZVFWFLSA-N	423.476	5.466	30	20	HKED	
N#CCC[C@H](NC(=O)N1CC=C(c2cccc(Br)c2)CC1)c1ccccc1	546575349	ZSWSQEWKEDTXCS-NRFANRHFSA-N	424.342	5.293	30	20	HKED	
C[C@](C#N)(NC(=O)c1cc(C(F)(F)F)ccc1Br)C1CCCCC1	555905295	UQXWOGYYGCDNEE-MRXNPFEDSA-N	403.242	5.060	30	20	HKED	
N#CCCCn1cc(-c2nc([C@H]3CSc4ccccc4O3)no2)c2ccccc21	564280508	ICFYJQBNDRFLLZ-LJQANCHMSA-N	402.479	5.221	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1	569275149	AFJYKWRUYHEUIA-DNVCBOLYSA-N	413.447	5.132	30	20	HKED	
C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCc2cc(C#N)ccc21	586779006	YSLBAFKWBPXALB-KZULUSFZSA-N	421.850	5.225	30	20	HKED	
CC(C)(C(=O)N1CCC[C@](C)(C#N)C1)c1csc(-c2c(Cl)cccc2Cl)n1	586806853	PDPRBOWEYJHUKK-HXUWFJFHSA-N	422.381	5.547	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(C)nc3C3CCCCC3)n2)cc1	588737813	KXUVGJHCYPGMDN-SFHVURJKSA-N	420.538	5.090	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1SCc1cccs1)c1nc2cc(F)ccc2s1	592973735	JTAAWPLEOJKWBJ-INIZCTEOSA-N	424.547	6.279	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cn2)cc1	603765448	VBTMUKRMFHHXFZ-UHFFFAOYSA-N	421.460	5.061	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3(c4ccc(F)cc4)CCC3)c2)cc1	603814529	BZNUQIACFZIFJJ-UHFFFAOYSA-N	414.480	5.531	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2N2CCCCCC2)o1	603953058	KYGOGLFHNNCJAO-UHFFFAOYSA-N	415.493	5.363	30	20	HKED	
CCc1cccc2c(C3CCN(C(=O)CSCc4ccc(C#N)cc4)CC3)c[nH]c12	604193276	NWNDFWALVUMYOX-UHFFFAOYSA-N	417.578	5.241	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F	609060662	JVUQHPQNFISNPX-VQTJNVASSA-N	416.443	5.753	30	20	HKED	
CC[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1c(C)noc1C	609061167	UAXGFWXOHCHRKD-OAQYLSRUSA-N	403.482	5.183	30	20	HKED	
Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c12	609065090	VWLUDWONUVJSJD-UHFFFAOYSA-N	424.460	5.112	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC2)c1	609211824	YJVQNULDEVPIIZ-XMMPIXPASA-N	421.516	5.182	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2SCCC#N)cc1OC	609375515	IUJPNJJUMUKRNR-UHFFFAOYSA-N	418.946	5.786	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](C)c1cc2ccccc2o1	609501272	CYNMROBWASNCAS-QGZVFWFLSA-N	411.461	5.715	30	20	HKED	
COc1ccccc1C(C)(C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	609505041	CXTDWLCFOJHQRU-UHFFFAOYSA-N	400.478	5.219	30	20	HKED	
C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1	609813843	YOHQUVNFIFWSIJ-NSHDSACASA-N	406.294	5.680	30	20	HKED	
N#CCn1c(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc2ccccc21	609863269	AVIYXRXLNMDQLA-UHFFFAOYSA-N	415.880	5.650	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)c1nc2ccccc2o1	620304338	UMQPUSBQJYKQLB-KRWDZBQOSA-N	406.800	5.903	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1	726475756	COCNBQFBDQWIFH-CYBMUJFWSA-N	412.971	5.691	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc2ccccc2n1C(F)F	727038032	CLTPILNIROUTRL-UWJYYQICSA-N	409.436	5.308	30	20	HKED	
Cn1cc(/C=C\C(=O)c2ccc(OCc3ccc(F)cc3)cc2)c(-c2ccncc2)n1	727685343	JXUGEBWLJIEZLV-WDZFZDKYSA-N	413.452	5.096	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(F)cc1F	727978184	BCHZSMHOLIBMDF-UHFFFAOYSA-N	409.461	5.533	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1	728194450	RDLKISNPDALBRK-UHFFFAOYSA-N	418.956	5.211	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1ccc2ccccc2n1	728408916	JRZCTJWAMHHTKM-AUSIDOKSSA-N	406.485	5.469	30	20	HKED	
O=C(/C(=C\c1cn(-c2ccccc2)nn1)c1nc2ccccc2s1)c1ccccc1	728695404	WGWXDMSYCAMOLD-HMMYKYKNSA-N	408.486	5.301	30	20	HKED	
COc1cccc(C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2ncc[nH]2)c1	729240727	YEHULMKYIFZJDV-JLPGSUDCSA-N	410.473	5.421	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1	729574359	QRRQBLFIPTUTMN-UHFFFAOYSA-N	408.502	5.348	30	20	HKED	
CCC(CC)(CNC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)c(Cl)c1	731989196	WNEFGQSSKWOUPI-UHFFFAOYSA-N	419.352	5.312	30	20	HKED	
C#CCOc1ccc(NC(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1	733844751	BUIRZGWFEKXXQF-INIZCTEOSA-N	421.522	5.022	30	20	HKED	
C=CC[C@H](NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccncc1	734652175	IJLFQPQKVYLJOI-VWNXMTODSA-N	410.521	5.311	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)c2sc3cc(Br)ccc3c2Cl)C1	735057457	JZXYYPKSDUOSAK-BTDLBPIBSA-N	411.752	5.519	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)OCc2cc(Cl)ccc2OCC#N)s1	735338301	ZANYXECODOGCLX-UHFFFAOYSA-N	418.927	5.022	30	20	HKED	
COc1ccc([C@H](NC(=S)Nc2ccccc2C#N)c2ccccc2Cl)cc1	739462183	UDUVWNMIAWHGTK-NRFANRHFSA-N	407.926	5.296	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cnc(-c2ccncc2)s1	741516652	MFWNPDAKKSCKJZ-UHFFFAOYSA-N	414.943	5.044	30	20	HKED	
COc1ccc(/C=C(\Cl)c2ncc(-c3ccccc3Br)o2)cc1C#N	741843185	ODQUOAWOCKDTMP-SXGWCWSVSA-N	415.674	5.721	30	20	HKED	
Cc1csc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)n1	743092807	DQBUXDGTHWDVRZ-RTWAWAEBSA-N	402.523	5.380	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	744025338	KAXVYFZWJVTWII-ULQDDVLXSA-N	407.684	5.098	30	20	HKED	
C=CCC[C@H](NC(=S)Nc1cccc(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1	749741284	ASLJLGKBCYZQPE-IBGZPJMESA-N	421.488	5.658	30	20	HKED	
C#CC[C@@H](OC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)c1ccccn1	753554437	ZZWVJQULQZFZGG-LJQANCHMSA-N	413.260	5.497	30	20	HKED	
O=C(CCSc1ccc(F)cc1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764750997	VAMBXYYOWXDTFL-UHFFFAOYSA-N	414.289	5.022	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	768541289	DNXPFRARFSOGAI-UHFFFAOYSA-N	409.313	5.844	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)c(C)c1	769545138	UWRWBPQXLVIKJD-LJQANCHMSA-N	417.509	5.054	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](c3ccc4ccccc4c3)C2=O)cc1	771908256	XBCBYBGYRJDDOB-LOSJGSFVSA-N	417.468	5.293	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Br)s2)ccc1OC	772977597	BDPJAKRXJIRKQN-TZMCWYRMSA-N	409.349	5.051	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2ccc3cc(OC)ccc3c2)ccc1OC	772985651	LPSNNYNZGSFYMI-LADGPHEKSA-N	418.537	5.779	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cccc(Br)n1	776378368	VNNSZMZPNYNBBU-UHFFFAOYSA-N	424.323	5.144	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@H](CC2CC2)c2cc(F)cc(Br)c2)cc1	778218995	XURWMXVFASZJSX-SPLOXXLWSA-N	417.322	5.510	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1	778255092	AQVYHSBSALIRPH-JTHBVZDNSA-N	415.468	5.517	30	20	HKED	
COCCc1nc(C)c([C@H](C)OC(=O)c2ccccc2Oc2ccccc2C#N)s1	778328845	GNDNNXRGXIHJKT-INIZCTEOSA-N	422.506	5.222	30	20	HKED	
CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)Cc1ccsc1	779397220	RXUXSQOQCPNRBO-MBSDFSHPSA-N	403.551	5.889	30	20	HKED	
C=CCN(CCc1ccco1)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12	779460188	ZVJJOMVUARXXTR-UHFFFAOYSA-N	413.473	5.232	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1	780161684	UHNNAWGAXOJPGR-KSFYIVLOSA-N	422.937	6.103	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2)cc1	790879994	YIKXMEPIJLNWFN-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cn2ccccc2n1	791429225	ZOLIGKKBKDQVRC-QXMHVHEDSA-N	401.853	5.136	30	20	HKED	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nccc2ccccc12	792091133	JLVLFGRTZOPFNF-NTKDMRAZSA-N	406.485	5.469	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)N[C@H](C)c1cccc2ccccc12	795982735	QUCJRIUANVCYAE-DXIQSLLYSA-N	414.505	5.036	30	20	HKED	
Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	799206624	KDFXXOXTFGKXGR-QHCPKHFHSA-N	421.504	5.695	30	20	HKED	
CC(C)(C)N1CC[C@H](NCc2ccc(OCC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	801954739	JMDFFWKYVVLTTR-VXKWHMMOSA-N	415.940	5.085	30	20	HKED	
C[C@@](O)(c1ccc(OC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1)C(F)(F)F	802109625	ANDDXWTUXIXZTJ-GDBMZVCRSA-N	410.285	5.091	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F	804380271	HBAWAPFYFPRABV-UHFFFAOYSA-N	417.227	5.316	30	20	HKED	
N#Cc1cccc(COc2ccc(N[C@H]3CCO[C@H](C(F)(F)F)C3)cc2Cl)c1	809635915	LYAWBPRCMRSDST-LPHOPBHVSA-N	410.823	5.312	30	20	HKED	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1	813216477	SVEIXFAEIQQMNP-MGPUTAFESA-N	410.395	5.411	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	915086504	LGDTWHOLUIWGGM-FQEVSTJZSA-N	413.458	5.717	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1	915088419	QEMCYQLINNOCGI-RPBOFIJWSA-N	412.489	5.152	30	20	HKED	
C[C@@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2C1	916883759	ONNJNVYJQBPKTA-ABAIWWIYSA-N	420.506	5.149	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1	916904897	KCJRVIDDLQDVKA-VKNLVWNJSA-N	416.864	5.493	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCSc1ccc(C)c(C)c1	916909751	UOEAJNKQFBRGEO-NRFANRHFSA-N	408.567	5.258	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3cccc(Cl)c3)n2)cc1	916971534	BMFXABDYHXVRRJ-SFHVURJKSA-N	412.967	5.882	30	20	HKED	
O=C(Nc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1Cl)c1ccco1	918152923	NUPCQIBUBJJRBL-UHFFFAOYSA-N	409.656	5.948	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCC#N)c1cccc(NC(=O)c2ccccc2)c1	918574490	XFEWLBVKTMDYPN-KRWDZBQOSA-N	415.518	5.046	30	20	HKED	
N#C[C@@H]1C(CN(Cc2ccc3ccccc3c2)C2CC2)=CC(=O)n2c1nc1ccccc12	920088698	HXPNUWYKWLYSES-HSZRJFAPSA-N	418.500	5.041	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3cccc(C)c3C)n2)cc1	920139835	ZCZVFCMUHCHKRF-IBGZPJMESA-N	406.507	5.081	30	20	HKED	
Cc1cc(C)cc(CCn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)c1	1289318267	GJNAVPVYAJPXNU-VWLOTQADSA-N	405.590	5.000	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1	1789625775	ZWKQGOIMYOIZLB-UHFFFAOYSA-N	408.542	5.257	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CSC3CCCC3)CCC2)cc1	1791244438	SXDCMOBOAZMOEP-QGZVFWFLSA-N	400.588	5.009	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccccc1)[C@@H](C)CC	1847263395	HEPKRXRBSMNUEP-UDIDDNNKSA-N	410.602	5.011	30	20	HKED	
C=CCN(C(=O)c1ccc(NC(=O)OCC)cc1)c1nc(-c2ccccc2)cs1	15608259	CHGDBSZAPRBMKD-UHFFFAOYSA-N	407.495	5.211	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(F)cc1	16835636	COEBPRWSFXMXLE-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1cccc(C)c1	20067896	HXKFFLNGPGLINX-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1Cl	21317316	LVDNOMRAYQVPCL-MRXNPFEDSA-N	418.852	5.074	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1ccc(F)cc1	25548727	SUZRPQXFZPHKRS-UHFFFAOYSA-N	415.444	5.307	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CS2	26264024	UJKNPOOSCFYXOI-UHFFFAOYSA-N	417.515	5.006	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1	45990937	OFSYPUFZNBFFTD-UHFFFAOYSA-N	418.472	5.006	30	20	HKED	
N#CC1CCN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1	60893863	ZHISFFHRNWKCKB-IBGZPJMESA-N	421.850	5.274	30	20	HKED	
N#Cc1ccc(-c2ccc(OC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2)cc1	72028010	FWBPIWUTDWJMRV-UHFFFAOYSA-N	401.437	5.018	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)/C=C\c2cn(CCC#N)c3ccccc23)c1	96401216	NGTMVVXZKIMYNU-RAXLEYEMSA-N	403.482	5.004	30	20	HKED	
C[C@@H]1CCc2c(sc3nc(SCCCCC#N)n(Cc4ccco4)c(=O)c23)C1	195538985	GLDKJMYMRMXTDB-CQSZACIVSA-N	413.568	5.010	30	20	HKED	
CC(C)(C)CN(CCC#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	303259049	OXHHRHCGUYNUNQ-UHFFFAOYSA-N	415.877	5.442	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	303568758	YARRARGVIULOIL-RTBURBONSA-N	405.404	5.074	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Cl	428198570	CULZFBYRNBPHDJ-UHFFFAOYSA-N	408.889	5.157	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)s1	430598664	DQNQUPFZAORGNO-LBPRGKRZSA-N	407.520	5.800	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1	431986845	NZGDCENEJQSCHG-IAGOWNOFSA-N	404.297	5.161	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C1(c2cccc(C#N)c2)CC1	435030091	YMYNLLADXLNJIY-UHFFFAOYSA-N	413.521	5.116	30	20	HKED	
Cc1cnc(N[C@@H](CCC#N)c2ccccc2)nc1N[C@H](CCC#N)c1ccccc1	439093237	SBTACNYIIYFHOS-PKTZIBPZSA-N	410.525	5.699	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1ccc2ccccc2c1	439788638	ITYSGPLCCFQOHR-GOSISDBHSA-N	407.473	5.949	30	20	HKED	
COc1ccccc1CC1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	444142226	KKVOWCLPEXGRHN-UHFFFAOYSA-N	415.537	5.049	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cc1	444895587	KHQMWAGXRBOCFA-ZIAGYGMSSA-N	418.360	5.584	30	20	HKED	
C=CCN(C(=O)[C@@H]1CCCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	447139012	NIZVCAMPQRLVKX-CYBMUJFWSA-N	411.354	5.453	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	460879995	JGHZMXHWQKAVPP-UXHICEINSA-N	403.309	5.442	30	20	HKED	
C[C@@H](C(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1)c1cccc(C#N)c1	462146050	KLTLSQZLQNVIMK-QVKFZJNVSA-N	404.901	5.069	30	20	HKED	
COc1ccccc1[C@@H](C)SCC(=O)Nc1ccccc1S[C@H](C)CC#N	463197817	SKPBNADFFFUDLZ-HZPDHXFCSA-N	400.569	5.522	30	20	HKED	
Cc1nc(-c2cccc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2)cs1	463397557	ZXTOGDSQRGSMMH-UHFFFAOYSA-N	417.412	5.184	30	20	HKED	
C[C@@H](C(=O)N(Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1	463464582	MTWFXZBUUIUPNK-MRXNPFEDSA-N	420.310	5.053	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	464530127	ZBINRXSOELHBHU-LJQANCHMSA-N	404.491	5.182	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC(c4cccc(Br)c4)CC3)cc2)CC1	466794247	DGEYQPVDEXYGRQ-UHFFFAOYSA-N	409.327	5.024	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C	466868945	UXEDGUOBLXLOIU-ZDUSSCGKSA-N	404.860	5.137	30	20	HKED	
C=CCOc1ccc(CN(C(=O)CCc2nc(C3CCCC3)no2)C(C)(C)C)cc1	467879779	XYAWYYOPMIAKRW-UHFFFAOYSA-N	411.546	5.052	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1	468520508	YUIIGNUZKUBKBT-UHFFFAOYSA-N	408.914	5.335	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)CCc1nnc(-c2cc3ccccc3o2)o1	470646500	KPZDLNKANQMSNU-UHFFFAOYSA-N	401.466	5.020	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccnc1)Cc1ccccc1C	475566481	HPOWWBOIIQWJGV-UHFFFAOYSA-N	413.565	6.476	30	20	HKED	
Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	477566549	ABODOJAZBLGWDE-UHFFFAOYSA-N	406.445	5.368	30	20	HKED	
C=C(C)Cn1c(S[C@H](C)c2cccc(Br)c2)nnc1-c1ccncc1	481367048	BVECLOSQPRHZTK-CQSZACIVSA-N	415.360	5.532	30	20	HKED	
N#Cc1c(NC(=O)c2cc(F)c(Br)cc2Cl)sc2c1CCCC2	483075155	PHIIIDTVONDHBP-UHFFFAOYSA-N	413.699	5.306	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cnc2ccccc2n1	483223136	VEZKNZGFCPTCMC-LJQANCHMSA-N	417.390	5.806	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)cc1	483467504	ZAIYSOALFVXFRZ-XMMPIXPASA-N	423.516	5.088	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C)ccc1OCc1ccccc1	484472816	YSACWTCPMCMGNW-UHFFFAOYSA-N	420.509	5.270	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNc2ccccc2CN2CCC(CO)CC2)cc1	487342512	SZPIWYXNUULNQE-UHFFFAOYSA-N	411.549	5.042	30	20	HKED	
C[C@@H](c1nnc(SCc2ccccc2C(C)(C)C#N)n1-c1ccc(F)cc1)N(C)C	487462824	LUMACVJMOAUYMB-INIZCTEOSA-N	423.561	5.122	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(C)cc1	489629655	CFKCHNGWAOUBLC-CQSZACIVSA-N	409.540	5.404	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ncon2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	499601053	RQTHBNLGEQVBMZ-MRXNPFEDSA-N	406.854	5.004	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Cl)ccc1N1CCSCC1	501606316	ZIAFWVNKQLMZTG-UHFFFAOYSA-N	419.953	5.252	30	20	HKED	
Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)no1	501793464	HWQZAYWIIZUQCN-FQEVSTJZSA-N	418.522	5.158	30	20	HKED	
C=C[C@@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)c1ccccc1	501824859	IJGDPVUQELHMEE-UGKGYDQZSA-N	401.510	5.540	30	20	HKED	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1	503870385	HXQMWESDLTWGAK-UHFFFAOYSA-N	421.500	5.049	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(F)c(F)cc2Br)cc1	505832815	MVDMBNYVCFEEFX-KRWDZBQOSA-N	407.258	5.019	30	20	HKED	
N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1	506529996	FAGFOJDZHCYRPV-KRWDZBQOSA-N	406.313	5.170	30	20	HKED	
C=C(C)[C@H](NC(=O)c1c(Br)sc(C)c1C)c1ccc(F)c(F)c1	507922564	KVOBPZNFBPGSBP-HNNXBMFYSA-N	400.288	5.453	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1	508142240	MMLDAXQAFWUPTK-UHFFFAOYSA-N	421.884	5.062	30	20	HKED	
CN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509856448	UUJOHOBVYAUGMD-UHFFFAOYSA-N	419.912	5.649	30	20	HKED	
CCOc1ccc(-c2nc(CNc3ccn(-c4cccc(F)c4C#N)n3)cs2)cc1	510101127	BRYWSQDGOPOZAB-UHFFFAOYSA-N	419.485	5.017	30	20	HKED	
CN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	511498102	INDSQHKYNAZYSI-UHFFFAOYSA-N	418.884	5.128	30	20	HKED	
COc1cccc([C@@H](N[C@H](C)c2ccc(C#N)cc2F)c2cc(F)ccc2OC)c1	512668784	WOTCJONCMSVMEN-OYLFLEFRSA-N	408.448	5.294	30	20	HKED	
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)cc1	513200336	IDCNKFHOFOFHIU-MSOLQXFVSA-N	415.493	5.037	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C	515640040	CLUBOOGFBCNUQH-UHFFFAOYSA-N	414.527	5.338	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)c(F)c1)c1nc(-c2ccccc2)cs1	520077380	QDCQAPRAYVMFTK-ZDUSSCGKSA-N	401.260	5.202	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C	521791685	YFTLSSQGZDCSIQ-UHFFFAOYSA-N	416.447	5.178	30	20	HKED	
CC(C)COc1ccc(C2(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CCC2)cc1	521858068	VASJXGVDEOOWEV-IBGZPJMESA-N	422.594	6.034	30	20	HKED	
Cc1cccc(C(C)(C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1	523013613	DOPFKJLLTJHCTD-UHFFFAOYSA-N	423.567	5.067	30	20	HKED	
COCCCOc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	524657818	FYMNAMJNMJYYRD-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
Cc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1CCC#N	527082226	WDVWCBGBHWGLLE-IBGZPJMESA-N	418.888	5.058	30	20	HKED	
C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1Cl	527226674	FUALUNHKLAAWFX-CQSZACIVSA-N	418.324	5.179	30	20	HKED	
N#CCc1ccnc(NC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)c1	531924454	AIUAGTHLHMBKQL-HXUWFJFHSA-N	412.276	5.213	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)c1ccc(OC(F)(F)F)cc1	535375455	HJRBLJMMJNLXNG-GOSISDBHSA-N	424.806	5.165	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1	540446135	RMOCMOWQFIXOOI-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc(Br)c1	540452065	RABVJGCNZFXISD-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
CC(=O)c1ccc(C#N)c(NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1	544394798	SPUOTDGLEIALKF-UHFFFAOYSA-N	411.383	5.579	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	545380768	JSYRNFAINBCZOD-QGZVFWFLSA-N	424.566	5.575	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)Nc1cc(C#N)ccc1OC(F)F	558747473	UFYZOLSFTBWQMY-UHFFFAOYSA-N	408.408	5.098	30	20	HKED	
C[C@H](Sc1cccc(Cl)c1C#N)C(=O)N(c1nccs1)C1CCCCC1	575829688	DYGAMWUATFDOTM-ZDUSSCGKSA-N	405.976	5.515	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c(Cl)c1	586855266	PUGRTTCFTHOSAS-GOSISDBHSA-N	423.727	5.416	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)o2)cc1	590230134	HMLROADODYIUQT-UHFFFAOYSA-N	422.440	5.214	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCSc4c(F)cccc43)cn2)cc1	603690725	OYFXKVQFYQLXKX-LJQANCHMSA-N	420.469	5.243	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1	604009611	SUXVDAORCOSQJL-JOCHJYFZSA-N	424.422	5.561	30	20	HKED	
CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)C3(C#N)CCCC3)cc2)CC1	608898862	ICKHZWRVLWPPBK-UHFFFAOYSA-N	409.574	5.322	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1	609066528	DVXOZJLWFGXORP-UHFFFAOYSA-N	417.264	5.338	30	20	HKED	
C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609079960	OMBFSYBBGRDWGB-OAHLLOKOSA-N	409.873	5.609	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)N(CCC#N)CC(C)(C)C)c2cnn(C(C)C)c2n1	609191483	GUANVJUWJAVHDY-UHFFFAOYSA-N	417.557	5.390	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	609297639	XGTJXKNHZVACTI-UHFFFAOYSA-N	417.465	5.554	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCc3sccc3C2)cc1Cl	609339071	XUCLPMFSDSFLBK-HXUWFJFHSA-N	421.953	6.037	30	20	HKED	
C[C@H](NC(=O)CNc1ccccc1SC[C@H](C)C#N)c1ccc2ccccc2c1	609384714	LBCMIBXSAJQHNI-MSOLQXFVSA-N	403.551	5.381	30	20	HKED	
Cc1ccccc1CN1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	609436705	CUZQERHPRBUQLL-HXUWFJFHSA-N	422.598	5.129	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	609437307	ZUQJBDFWDLPDNB-TZIWHRDSSA-N	422.598	5.115	30	20	HKED	
CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609743952	TVYLJMIVFHDVAW-GOSISDBHSA-N	400.482	5.578	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)C2(c3cccs3)CCCCC2)CC1	609970911	QNKMLVDPYOQHSG-UHFFFAOYSA-N	408.567	5.328	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	610015721	QNPOXCYQQHULEW-JTHBVZDNSA-N	418.928	6.005	30	20	HKED	
Cc1nc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)ccc1C#N	610112913	SXNVTSNBPGUKBB-FQEVSTJZSA-N	400.482	5.017	30	20	HKED	
N#CCn1c(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)cc2ccccc21	610471884	YIMYAKGNRHYSKG-UHFFFAOYSA-N	405.379	5.501	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4cccc(C)c4)c3C)n2)cc1	613318343	YJICJGQRBAYBOX-HXUWFJFHSA-N	412.518	5.411	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4ccccc4)n3)n2)cc1	613318737	ALRVHTQIWDINPZ-SFHVURJKSA-N	415.543	5.656	30	20	HKED	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](CC(F)(F)F)C1	622723665	LCVZYFHWUWZYNX-VIFPVBQESA-N	407.276	5.529	30	20	HKED	
N#Cc1ccc(NC(=S)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1Cl	726441239	LLHORNUZPXYXBE-AWEZNQCLSA-N	412.971	5.398	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cc1	726915092	NKDNWGKXEJOELD-XMMPIXPASA-N	418.537	5.140	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCCc1ccc(C(C)(C)C)cc1	727037992	BVKPTEIWBSXMDK-HXUWFJFHSA-N	406.526	5.053	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	727149260	MOCOQGIHHGSLCM-NRFANRHFSA-N	423.513	5.147	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1	729066736	BGLVRTFEKWDEIG-WMLDXEAASA-N	405.523	5.036	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2cc(C)ccc2c1Cl	729187626	HBGXLHVCUYDKGZ-QGZVFWFLSA-N	424.953	5.949	30	20	HKED	
COc1ccc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-]	730152028	YAXOXACLYVNIKU-DJWKRKHSSA-N	402.200	5.008	30	20	HKED	
CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)c1ccc2nc(C(F)F)[nH]c2c1	730161080	UBORGZKMPYSHLY-HIXSDJFHSA-N	414.481	5.024	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C\c1ccccc1OC(F)(F)F	731348992	FQUIZZUCXVPVFY-BMSUMIBZSA-N	406.429	5.631	30	20	HKED	
CCCCCCC[C@@H](C)CNC(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1	732448811	HZVORZMQAVSNLK-NFBKMPQASA-N	407.643	5.196	30	20	HKED	
COc1cc(C(=O)/C=C\c2ccc(Oc3cccnc3)c(C)c2)cc(OC)c1OC	732713825	LSVPRGRXVYSEBN-CLFYSBASSA-N	405.450	5.104	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1	733218168	UCCZGZOEQGRQCW-QHCPKHFHSA-N	411.436	5.317	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1	733637597	CLRZOKAYUNOLJE-UHFFFAOYSA-N	408.889	5.185	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)c1	733772131	YHDCHYGTZNYARA-OAQYLSRUSA-N	418.468	5.016	30	20	HKED	
C[C@H](COc1cccc(C#N)c1)OC(=O)c1csc(-c2ccc(Cl)s2)n1	733862416	XVJUSRJDAREANR-LLVKDONJSA-N	404.900	5.021	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cs1)C1CC1	734307114	VKJLYPFXKBBATC-SDNWHVSQSA-N	418.518	5.134	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(F)(F)F)c1	739156843	QWJBEBVWUOBADO-WFASDCNBSA-N	421.369	5.820	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)c3ccccn3)c2)s1	740060572	VFQLMDBQISDBCH-XMMPIXPASA-N	424.529	5.271	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1cnn(-c2ccc(C#N)cc2)c1C	741811695	AAOVVIHWGFJZCO-UHFFFAOYSA-N	419.703	5.244	30	20	HKED	
CCCCCCCC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C	741997666	FEADJDCPIWOPSY-XMMPIXPASA-N	415.599	5.273	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)ccc1OCc1ccc(F)cc1	742435940	CBVPINCAJQAREQ-WMZJFQQLSA-N	404.437	5.340	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3cc(C#N)ccc3C2=O)cs1	742436406	BIGZUAIIULNWLP-XDHOZWIPSA-N	413.502	5.220	30	20	HKED	
CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3cscn3)c2)cc1	744030063	YZELXBDQGDZTMD-HXUWFJFHSA-N	403.507	5.114	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@]12CCc1ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	744034662	JQRBLXMABGKDJL-LYHRCORUSA-N	404.922	5.544	30	20	HKED	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1	746137337	OXBJTTRJSHTJEV-CJNGLKHVSA-N	417.456	5.184	30	20	HKED	
COc1ccc([C@H](C)C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1	747631761	WKVCAONMHLPYPB-CYBMUJFWSA-N	415.419	5.158	30	20	HKED	
CCn1nc(C)c(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1C	750912953	JDCQQACWJPQSNC-KHPPLWFESA-N	417.340	5.276	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	759036259	DMJCFOSJXPPKAW-SJORKVTESA-N	417.575	5.199	30	20	HKED	
C=CC[C@@H](NC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C)c1ccncc1	759579042	ANNLFHZJRMDOCI-FXAWDEMLSA-N	406.555	5.533	30	20	HKED	
COc1ccsc1/C=C1/CC2(CCOCC2)C/C(=C\c2sccc2OC)C1=O	764442343	OQWSAVDGYRZXID-UKVBVZPVSA-N	416.564	5.454	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CNC2(c3ccc(F)cc3)CCCC2)c1=S	764915838	OYKUVBXPNMYTJG-UHFFFAOYSA-N	423.561	5.208	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)C1	766622929	KSGICYHAVIJYCG-KZNAEPCWSA-N	404.938	5.143	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccc(F)cc3)s2)ccc1OC	772977906	CVWOYFKQUXIHRY-UZLBHIALSA-N	424.541	6.095	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(COC3CCOCC3)cc2)cc1	773091581	ITYUVSJWWATOKX-IBGZPJMESA-N	415.961	5.364	30	20	HKED	
C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(=O)c1ccc(Cl)cc1	777319095	XPSJXGCIWQWKSY-ABAIWWIYSA-N	400.862	5.174	30	20	HKED	
COc1cc(C[S@@](=O)Cc2ccc(CF)cc2)ccc1OCc1cccc(C#N)c1	777545202	WSDUGKLUKJJANF-PMERELPUSA-N	423.509	5.064	30	20	HKED	
C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	782916960	BIYYCRSTVORBSB-ZCFIWIBFSA-N	406.763	5.026	30	20	HKED	
Cc1cnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1	783012346	FHCBMAXIIYGVCT-GFCCVEGCSA-N	422.316	5.882	30	20	HKED	
C=CCN(C(=O)CCCc1ccsc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	783375682	ZAOFMVJDSHZFJM-UHFFFAOYSA-N	413.524	5.322	30	20	HKED	
CC(C)CCOc1ccc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccncc2)cc1	788348865	DOWTXVAQASCHEX-RMKNXTFCSA-N	414.509	5.180	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C	790558281	IEPKMIJWJLUGKC-UHFFFAOYSA-N	412.505	5.320	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NCc1ccc(OC(F)(F)F)c(Br)c1	793064845	GTWFOOOVHVBWLK-NSHDSACASA-N	415.209	5.251	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2cc(Br)ccc2F)s1	797569365	ATYNDNYAMVNSGI-ZDUSSCGKSA-N	409.324	5.151	30	20	HKED	
N#C[C@H](C(=O)CC1CC(c2ccccc2)C1)c1nc(O)c2c3c(sc2n1)CCCC3	798814797	WDUBFKVKBXQKEY-JFUPDXTOSA-N	417.534	5.036	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)C(F)(F)c1c(F)cccc1F	800353890	DKFCYKPEPWNESZ-UHFFFAOYSA-N	413.264	5.166	30	20	HKED	
Fc1cc(F)cc(C2CC(=NNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)C2)c1	814848698	ZPMJCJAYZFKYHO-UHFFFAOYSA-N	419.357	5.181	30	20	HKED	
CC(=NOCc1nnc(-c2ccccc2Br)o1)c1cc2ccccc2o1	852752828	NIXMXTQSCZZMOW-UHFFFAOYSA-N	412.243	5.186	30	20	HKED	
N#CCOc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1	916151824	FLRQXZXROOHIOH-DTQAZKPQSA-N	419.484	5.397	30	20	HKED	
O=c1c2ccccc2ncn1N=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1	916369693	JDIXQJVEWXTRSB-UHFFFAOYSA-N	416.484	5.749	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1	916887035	KNGOHNBINNDEDV-KRWDZBQOSA-N	422.884	5.325	30	20	HKED	
Cc1cc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1Cl	917043486	MDNLIEHBRDHBJV-CYBMUJFWSA-N	424.831	5.532	30	20	HKED	
Cc1ccc2c(CNc3cccc(OCc4cccc(C#N)c4)c3)cc(=O)oc2c1C	917810914	DCKYOQVFHGQHIV-UHFFFAOYSA-N	410.473	5.473	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(C)n(Cc2ccccc2)c1C	920101486	BLMKMCMKUSZLLF-QFIPXVFZSA-N	409.489	5.148	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	920103875	FSQFYDCMNMKIIG-UGSOOPFHSA-N	412.411	5.581	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1	1787525507	KYONMZOSXOCSMY-UHFFFAOYSA-N	411.571	5.192	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1	1787657162	WYJXLXLGNFINPJ-VAWYXSNFSA-N	424.566	5.057	30	20	HKED	
CCCCC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)ON=C(C)C)CCC2)cc1	1791313388	FCBGZUQXONQYSO-RBUKOAKNSA-N	415.578	5.138	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1	1816691842	LCGMNQLLECDLMF-PZJWPPBQSA-N	412.578	5.141	30	20	HKED	
C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1	1831859746	JHQPHLCHFBPQNS-IBGZPJMESA-N	423.384	5.111	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832403845	BMPRPCWRIBUTKF-GJZUVCINSA-N	414.634	5.345	30	20	HKED	
C=C(C)CSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1	4513651	BNRDJCYTSNSIBM-MHWRWJLKSA-N	404.944	5.463	30	20	HKED	
N#Cc1ccccc1CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1	5230495	QWRGFEKOXPCNMC-HYARGMPZSA-N	413.477	5.374	30	20	HKED	
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(C)(C)C#N)cc1	25841501	YNUCHCAPEQHHNS-GFCCVEGCSA-N	421.722	5.310	30	20	HKED	
COc1cc(OC)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Cl	33228088	JQXMYBONLLTVDM-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1	56619692	GVSBQEMFTFXUFV-UHFFFAOYSA-N	403.457	5.298	30	20	HKED	
Cc1sc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	56790993	MYHDYSLXKSWCIY-CYBMUJFWSA-N	410.930	5.204	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2c(F)cccc2F)cs1	64714741	YWHWZBAOTQASRT-MRXNPFEDSA-N	405.429	5.369	30	20	HKED	
COc1ccc([C@H]2CCCCCN2C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1	65473214	GZSJRDYALZMPAF-JOCHJYFZSA-N	407.514	5.503	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccccc2C)c1C)c1nc(-c2ccccc2)cs1	71879117	DTYKTZZFHQUNEZ-UHFFFAOYSA-N	414.534	5.445	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nc2sccc2c1=O	105473590	WMTPCABAHFECSZ-NSHDSACASA-N	418.494	5.242	30	20	HKED	
COCCOc1ccc(C(=O)/C=C\c2cccc(OCc3cccc(C#N)c3)c2)cc1	208115493	ZDNPXNNEYSHOQB-JYRVWZFOSA-N	413.473	5.059	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1	212535411	VAFBPYRBNQNPKX-JYRVWZFOSA-N	406.825	5.397	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1	237022956	QEPDTMIVXSRBEI-IBGZPJMESA-N	407.495	5.294	30	20	HKED	
COc1ccc(CN[C@@H](c2oc3ccccc3c2C)C(C)C)cc1OCCCC#N	237338602	ALSYYYZPWDWVRC-XMMPIXPASA-N	406.526	5.919	30	20	HKED	
C=CCc1cc(CN[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc(OC)c1O	237472271	XKNIMHFBXICRPH-OAHLLOKOSA-N	424.566	5.421	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H]2CCc3ccccc32)cc1	303137699	QNPWPVYQOLZAMG-QFIPXVFZSA-N	413.477	5.510	30	20	HKED	
Cc1ccccc1Cc1noc(CNc2cccc(OCc3cccc(C#N)c3)c2)n1	430965307	IRWQIUASFNLZLJ-UHFFFAOYSA-N	410.477	5.032	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	431219726	YNBGEQSPWMGNQH-NVXWUHKLSA-N	414.962	5.135	30	20	HKED	
COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(CN[C@H](C)c2ccc(C#N)cc2)c1	432777145	CEAQAMQSXVLWBL-BGYRXZFFSA-N	424.548	5.140	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)c(O)c(Cl)c2)cc1	436855154	PNVLIZANTCUJMZ-UHFFFAOYSA-N	410.832	5.082	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1	437452541	MAFAUUYNZKUTGF-MXVIHJGJSA-N	416.521	5.666	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(-n2cccn2)cc1	438225572	NMCYGDBPTPHBHL-SFHVURJKSA-N	423.476	5.419	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)c1	438760595	LMUUIUATSFDDHL-UHFFFAOYSA-N	422.525	5.068	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)C3(Oc4ccccc4F)CC3)c2)cc1	440752344	NBSBYOHTCKFKDU-UHFFFAOYSA-N	416.452	5.021	30	20	HKED	
C=CCC[C@@H](NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1ccc(C(F)(F)F)cc1	440858628	LKNIFGSLAGCBRG-RAFMOHDBSA-N	409.496	5.027	30	20	HKED	
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)NCC1CCC(C#N)CC1	442725453	UWWSWVVWBORLRA-HWELCPFYSA-N	419.569	5.168	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCC1CCC(C#N)CC1	442871827	XOPFOFCSVCRFML-JEYLPNPQSA-N	418.404	5.862	30	20	HKED	
C=CCn1c(SCc2nc(C(F)(F)F)cs2)nnc1-c1ccc(F)cc1	443425904	FAYXGLSPAAFPLX-UHFFFAOYSA-N	400.426	5.038	30	20	HKED	
CN(C)Cc1ccsc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	447084143	YFSNIJDDLYOOAL-IBGZPJMESA-N	409.942	5.371	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCC[C@H](COC)C1	460370949	SHWFIQHORJSIJI-KRWDZBQOSA-N	421.010	5.053	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)c1	464057596	YWTRCPSTSJLXQT-OAQYLSRUSA-N	410.901	5.501	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(CC(F)(F)F)c3)c2)cc1	464425437	HZKYFCJZMFVPEQ-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2ccn(-c3cccc(C#N)c3)n2)o1	466372777	BRBQBJYVBARJNB-UHFFFAOYSA-N	402.841	5.218	30	20	HKED	
C[C@@H](c1nnc(SCc2ccc(F)c(C#N)c2)n1-c1ccccc1)N1CCCCC1	468633163	WMISIGGVDZRRMQ-KRWDZBQOSA-N	421.545	5.117	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)Nc2c(F)cccc2NC2CC2)c1	469052779	SBORKGRZORCNEE-UHFFFAOYSA-N	401.441	5.103	30	20	HKED	
C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1	469228979	JKEPWWDDJJBMQV-OAHLLOKOSA-N	401.432	5.461	30	20	HKED	
CC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	475312712	LMCQRCUPJJOMTG-UHFFFAOYSA-N	406.894	5.818	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1	476118156	AYLALUZUHDKOKN-SFHVURJKSA-N	408.567	5.252	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1	476121708	HOBFPDUQXBOOHK-HXUWFJFHSA-N	411.545	6.512	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	476122879	SKOBIOCDEKBCNU-UHFFFAOYSA-N	410.517	5.645	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1	479778829	QMUBQTVJOXAARS-ZJSXRUAMSA-N	414.530	5.217	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccccc2NCCCc2ccccc2)c1	480822737	DDDSCDOJACCGMP-UHFFFAOYSA-N	401.535	5.599	30	20	HKED	
C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@H](OC1CCOCC1)c1ccccc1	481648772	ZQDBMHCARLVGQI-CNVLFFCLSA-N	404.554	5.241	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C	482047230	JSSXBLABDQLSHD-KRWDZBQOSA-N	407.562	5.396	30	20	HKED	
CC(C)CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(C#N)cc1	499300605	MISXQLRGMKCJGX-UHFFFAOYSA-N	409.489	5.312	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC(F)F	500755842	RUGKJGZIIQTABU-UHFFFAOYSA-N	424.403	5.521	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)cc1C#N	501336257	CTSVZCPNPZNGDN-SFHVURJKSA-N	411.506	5.001	30	20	HKED	
N#Cc1ccc(CN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C2CC2)cc1	506560822	JVRSFBFKCJEKJN-UHFFFAOYSA-N	419.532	5.030	30	20	HKED	
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc(C#N)ccc3Cl)c2)c1	507151293	CTKDIWBFRGYLCJ-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	510620451	VAAXGTKJEFIHSP-RUZDIDTESA-N	411.505	5.449	30	20	HKED	
CCN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	511754911	KIARTGJMVJBUAJ-GOSISDBHSA-N	423.925	5.045	30	20	HKED	
Cc1ccc(OCc2ccccc2)c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1	512701677	SMZWMDFWGWWGQR-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1oc2cc(OC)ccc2c1-c1ccccc1	512865234	RKKJZCYHNFMMLX-UHFFFAOYSA-N	412.445	5.631	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1	513212641	OMIOTRFDYKMBNH-SANMLTNESA-N	419.484	5.052	30	20	HKED	
N#C[C@H](C(=O)c1cccc2cccc(Br)c12)c1ccc(C(F)(F)F)cn1	513723865	BJMYLRILNALTMT-AWEZNQCLSA-N	419.200	5.506	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1	514514413	LTRVQJQTTPUXTA-INIZCTEOSA-N	404.539	5.509	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c(F)c1	515521181	RHJPMGJDNFHBFS-KRWDZBQOSA-N	403.457	5.024	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	515547216	QIHZOSPFSQRAKS-LYRGGWFBSA-N	409.898	5.034	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCSc1ccccc1Br	517438060	OAWSBJYNTOXNGM-UHFFFAOYSA-N	421.385	5.576	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccccc1Br	517447902	WKTVJYHGXVYSOG-CYBMUJFWSA-N	421.385	5.432	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOc1cccc(C(F)(F)F)c1	517529677	IXHPSCZFDXJEJV-CQSZACIVSA-N	423.460	5.300	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCC1	517532795	MDPWWDBGSCQUBT-JTSKRJEESA-N	421.566	5.067	30	20	HKED	
N#Cc1c(NC(=O)Cc2ccccc2C(F)(F)F)sc2c1-c1ccccc1CC2	517929686	UTJPJDNOGCSNOC-UHFFFAOYSA-N	412.436	5.585	30	20	HKED	
N#CCCCCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1	519432891	FZROLSCRPCXRNJ-LJQANCHMSA-N	408.304	5.409	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1ccc(Cl)c(Cl)c1	521016175	OILAZIKAPLBOPL-INIZCTEOSA-N	423.097	5.232	30	20	HKED	
Cn1ccnc1-c1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	521088337	RNBQCXFHVLSSSM-UHFFFAOYSA-N	408.461	5.198	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@@H]3c3c(F)cccc3F)cc2)cc1	523824862	NZFURYCCVOBAOT-UGKGYDQZSA-N	404.416	5.109	30	20	HKED	
Cc1c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cccc1[N+](=O)[O-]	523878132	BBDOFRYTZVRMMF-UHFFFAOYSA-N	407.813	5.473	30	20	HKED	
CO[C@@H](C)c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	523948424	XODRIYUFZSNAQG-HNNXBMFYSA-N	406.869	5.964	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cccc2ccccc12	524114894	OOMQQSDWZFJMQL-UHFFFAOYSA-N	406.485	5.780	30	20	HKED	
Cc1ccc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	524386708	QPAKQKRRUYVEAC-UHFFFAOYSA-N	402.519	5.485	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccc(C(F)(F)F)cc2Br)cc1	537460421	WHNKYPFNKHIMDT-UHFFFAOYSA-N	415.234	5.070	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1	541356100	ABLJTUWPUZTDAC-OAQYLSRUSA-N	411.530	5.418	30	20	HKED	
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)Cc1ccc(C#N)cc1	542458340	GCQPQMKXPQXSAS-UHFFFAOYSA-N	401.466	5.464	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3c3nccs3)cc2Cl)cc1	548451678	ILCZHCSHCIXGKH-SFHVURJKSA-N	424.913	5.068	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1	549381374	XENGSZIBDDZVKO-UHFFFAOYSA-N	408.477	5.143	30	20	HKED	
COc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1OC(F)F	556672559	AXQCGVBPXSMIRL-UHFFFAOYSA-N	408.404	5.015	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc1	558744043	JRZMOFZDLRULSI-OAQYLSRUSA-N	419.422	5.609	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccc(Cl)c(Cl)c1	561597660	WKJFWANZUBTJOR-GOSISDBHSA-N	414.317	5.534	30	20	HKED	
CCCOc1ccc(Oc2ncccc2CNc2ccc(C#N)c([N+](=O)[O-])c2)cc1	570094716	HXLYICAOZYPECY-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1ccccn1	582978745	TURNJMJEAQGBEG-LJQANCHMSA-N	413.525	5.179	30	20	HKED	
CC(C)(C)c1csc(NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)c1C#N	590244611	MMBWGIZBOZUPPV-UHFFFAOYSA-N	409.536	5.223	30	20	HKED	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1F	590325280	GXAHUGCUHSVDJW-JTQLQIEISA-N	408.317	6.088	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)nn1	606146274	MMDUCCPQQPHMBP-MRXNPFEDSA-N	419.897	5.282	30	20	HKED	
C=CCCCCCN(C)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1	606881686	YTYZWIBVRKLDKE-UHFFFAOYSA-N	419.319	5.113	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)o1	608968912	YFTWYFKVYFDDNY-HXUWFJFHSA-N	400.478	5.140	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)ccc3OC(F)F)s2)c(C)c1	609066426	FVLIUGSSOQIWRE-UHFFFAOYSA-N	413.449	5.461	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	609177307	ONIYFPJFMYFZKG-MWTRTKDXSA-N	411.461	5.197	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OC2CCCCC2)cc1	609435066	NPYZCTXFGOMZRM-SFHVURJKSA-N	423.582	6.114	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1Br	609593607	ZAWHHUJRARICQT-VBQJREDUSA-N	424.125	5.240	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnsc3Cl)n2)o1	609604563	UQNCGWYJWCPROO-UHFFFAOYSA-N	416.837	5.338	30	20	HKED	
Cc1nc(C(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)ccc1C#N	609905749	SRIFHTZWOYNLIE-UHFFFAOYSA-N	402.542	5.232	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C4CCCC4)CC3)c2)cc1	610321569	JKIPVMXEYSXNPB-UHFFFAOYSA-N	417.553	5.766	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@H](C)c3cccc(C#N)c3)c3c(C)noc3n2)c(C)s1	610363474	XJBUOQIDPADTHE-CYBMUJFWSA-N	416.506	5.239	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H]3CCOC3)CC2)cc1Cl	612300600	TZCANSWRBMBITO-UGKGYDQZSA-N	423.944	5.276	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(N(C)C(C)=O)cc1)c1ccc(C(F)(F)F)cc1	676751133	XTUQDXUUQQXHON-HXUWFJFHSA-N	419.447	5.517	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	685670086	AZDXJJJUSHPMGI-IUCAKERBSA-N	423.279	5.003	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NC(=O)Nc3cccc(OCC#N)c3)cc2)c1	727933624	BWPYKCXKSWUARB-IBGZPJMESA-N	415.493	5.359	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1ccccc1SCC#N	728037177	GWEAIOFDURTSGG-SFHVURJKSA-N	402.519	6.003	30	20	HKED	
C#Cc1cccc(N(Cc2ccco2)C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c1	728184914	AGVQMBSLJOYDNY-KRWDZBQOSA-N	415.518	5.165	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=S	731027276	JXCWDLGEGDZAFJ-FQEVSTJZSA-N	419.554	5.526	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1	731538976	VSUVHMGXLQROOQ-FTJBHMTQSA-N	421.500	5.350	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)c1cccc(C(F)(F)F)c1	731645904	UKHZUFYOFYZCDY-HXUWFJFHSA-N	416.349	5.645	30	20	HKED	
Cc1c(C(=O)/C=C\c2c(Cl)nc(Cl)n2-c2ccccc2)c(C#N)c2n1CCC2	731938873	STTVPCFRADKRQC-KTKRTIGZSA-N	411.292	5.003	30	20	HKED	
COCCOc1ccc(C(=O)/C=C/c2ccc(Oc3cccnc3)c(C)c2)cc1OC	732713877	HQIREXYQJDDXNP-RMKNXTFCSA-N	419.477	5.112	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1OC	733229048	VRCYCTLYZCCKPI-INIZCTEOSA-N	424.884	5.220	30	20	HKED	
Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	733622682	XOJHDYWWEHMAMF-CLJLJLNGSA-N	409.533	5.890	30	20	HKED	
CC[C@@H](NC(=S)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)c1cccs1	734379113	XTKHCKZWFFMWGM-HXUWFJFHSA-N	423.582	6.100	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1	735034539	SHBOWQNTDLXMDG-FQEVSTJZSA-N	407.857	5.278	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)ccc1OC	737552963	FYWZTSDGFPFSMK-AVRDEDQJSA-N	408.542	5.310	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(F)(F)F)c1	739161888	UYSOOYUAXWLUNT-GUYCJALGSA-N	415.440	5.594	30	20	HKED	
Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)s1	740060639	WJJDZCHIQOEFAA-AWEZNQCLSA-N	410.568	5.263	30	20	HKED	
O=C(/C=C/c1ccc(Br)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	741447175	IGMTUPRSQGJMBK-VGOFMYFVSA-N	419.340	5.062	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1F	742961704	MUFPSHPUZAAPJH-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
Cc1c(C(=O)/C=C/c2ccc(Oc3cnccn3)cc2)cnn1-c1cccc(Cl)c1	743056190	QSVCWZIICXDFPV-JXMROGBWSA-N	416.868	5.313	30	20	HKED	
Clc1ccccc1C#CCSc1nnc(-c2ccncc2)n1Cc1ccccc1	746600206	LEANIRJBOOUIMN-UHFFFAOYSA-N	416.937	5.186	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)CCCCOc2ccc(Br)cc2)n1	747197561	HZPCLIFIUWWTTB-INIZCTEOSA-N	421.360	5.455	30	20	HKED	
O=C(/C=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccc(N2CCOC2=O)cc1	748583821	ITXMMKHATYWENX-AWNIVKPZSA-N	417.436	5.257	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3occc3COc3ccccc3)n2)c1	752377054	YRDURLAORGZXOP-UHFFFAOYSA-N	401.447	5.106	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCOc2cc(Br)ccc21	753143509	UQSWZAMXZSDHDP-LCYFTJDESA-N	413.296	5.016	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21	758243624	SUDZRCBOJYMJDC-QFBILLFUSA-N	407.539	5.506	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1F	760375930	JRAOBAQGRQWHES-UHFFFAOYSA-N	420.440	5.019	30	20	HKED	
O=C(/C=C/c1ccc(C(F)(F)F)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1	761477912	BPEWYFYSGVSKQS-YRNVUSSQSA-N	414.470	5.379	30	20	HKED	
N#Cc1ccc2ncc(CNc3cc(Cl)c(OCC(F)(F)F)c(Cl)c3)n2c1	762627481	JODMUAHUAANGTO-UHFFFAOYSA-N	415.202	5.066	30	20	HKED	
Cc1cnc(C2CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)s1	763319525	ISZMKFIQLFCHAF-UHFFFAOYSA-N	422.579	5.141	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c(F)cccc1F	764563254	XJUTVOYFFVTRAA-MWLCHTKSSA-N	410.367	5.573	30	20	HKED	
O=C(/C=C\c1cccc(OCc2ccc(F)cc2)c1)c1cccc(N2CCOC2=O)c1	766689280	UMTKWNCZRQPCBT-XFXZXTDPSA-N	417.436	5.257	30	20	HKED	
O=C1/C(=C\c2cncs2)CCc2nc(-c3ccc(Br)cc3)sc21	767727782	CGMOUDCYLGMJKU-XFFZJAGNSA-N	403.326	5.242	30	20	HKED	
C=CC[C@@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccncc1	772087358	VAHVIFPCUQRWSW-QGZVFWFLSA-N	418.280	5.003	30	20	HKED	
CSc1cccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2cc(F)ccc2F)c1	776163966	XDBVKYVQWILIBD-UPCLLVRISA-N	424.516	6.029	30	20	HKED	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	777409973	UYUVGKGQOITANC-IBGZPJMESA-N	410.949	5.033	30	20	HKED	
Cc1sc(NC(=O)Cc2ccc(OCC#N)cc2)nc1-c1cccc2ccccc12	778251016	XMNGNONGHWIWJG-UHFFFAOYSA-N	413.502	5.355	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)CCc3nc4ccccc4n3-c3ccccc3)[nH]c12	778308350	RTIFISDRLCVLLB-LJQANCHMSA-N	419.488	5.019	30	20	HKED	
C[C@H](Nc1ccccc1O[C@H](C)C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1	779712568	JIQBDAZJUSUPGT-RTWAWAEBSA-N	413.521	5.007	30	20	HKED	
CC[C@@H]1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1	780312656	LZFSCBGKUXDPCA-KYOSRNDESA-N	409.338	5.498	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	780391994	HZIWEBLLYNLJCO-MRXNPFEDSA-N	422.756	5.654	30	20	HKED	
C=CC[C@@H](NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)c1ccncc1	781641094	DZKBJXHCEGVWJU-QGZVFWFLSA-N	402.281	5.399	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1nc(-c2c(F)cccc2F)cs1	786377425	URFFYTPVPWRBLF-MXWKQRLJSA-N	420.893	5.783	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C/c1csc(-c3cccc(Br)c3)n1)C2=O	788358012	UXZGPZOPRMTPIG-ZSOIEALJSA-N	422.307	5.052	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1	789342032	HKRZVGARBPWLML-MRXNPFEDSA-N	412.367	5.235	30	20	HKED	
CC(C)(C)c1cnc(/C=C2/COC/C(=C/c3ncc(C(C)(C)C)s3)C2=O)s1	790600966	PIBVNCYWZIKDEM-PVRNWPCDSA-N	402.585	5.261	30	20	HKED	
FC(F)(F)CCCCNC(=S)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	794974700	RFQQPNINYXEBAN-RKDXNWHRSA-N	418.369	5.093	30	20	HKED	
N#C[C@@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1	796757334	WHVPBDGBDOBTPM-ZUEPYMLJSA-N	418.415	5.824	30	20	HKED	
C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1	801885168	KLMZSIOTGXEJOY-UHFFFAOYSA-N	421.419	5.119	30	20	HKED	
CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1cc2c(s1)SCC(=O)N2	811694952	YDFTUCGHCXTSRV-VEQVDCDKSA-N	407.463	5.236	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(-n2cccc2)c1	916909267	PHCAFCARHRPGRA-JOCHJYFZSA-N	421.456	5.231	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1	917751717	OSTVYOZHRJWIBB-INIZCTEOSA-N	405.350	5.415	30	20	HKED	
CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	918239694	QLFCCVWADSJHDA-UZLBHIALSA-N	411.933	5.019	30	20	HKED	
CCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	920108761	BGXJUKMAKVVRTI-LJQANCHMSA-N	410.926	5.671	30	20	HKED	
CC(C)(C)Cn1c(O)nc2cccc(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)c21	1273423916	RWSXMMFOGFKIOK-UHFFFAOYSA-N	420.513	5.089	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]2C)CC1	1823752440	SJZPOOUBCZGCTQ-KSEOMHKRSA-N	402.623	5.035	30	20	HKED	
CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccccc2CC)cc1	10173420	WATHMJRDFSAQLX-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1	16388214	AATICJHADXNEAK-PKNBQFBNSA-N	401.416	5.168	30	20	HKED	
Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)s1	22693615	JHRGENOZUXUCRX-UHFFFAOYSA-O	421.489	5.414	30	20	HKED	
C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NC1(C#N)CCCCC1	60383572	GLGLFUKWSUZIOZ-HNNXBMFYSA-N	422.579	5.182	30	20	HKED	
COc1cc(C(=O)N(CCC#N)Cc2ccco2)ccc1OCc1ccc(Cl)cc1	115150954	FDTUXAQLJIVTRD-UHFFFAOYSA-N	424.884	5.077	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1	303560921	XJQGGJFEBXSRBX-UHFFFAOYSA-N	419.500	5.134	30	20	HKED	
CCc1ccccc1O[C@@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1	409817887	IIYKCISYLOAZKM-LJQANCHMSA-N	423.563	5.388	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCOC4(CCC4)C3)cc2Cl)cc1	426079083	LLCNJZWSYRZUOE-KRWDZBQOSA-N	411.889	5.227	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N(CCC#N)Cc3ccco3)c(C)c2)n1	426089050	DMRCBUYOXIPXGW-UHFFFAOYSA-N	412.540	5.452	30	20	HKED	
C[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)s1	426168367	QMQLQJQLKJUPPW-ZDUSSCGKSA-N	409.898	5.268	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)c1ccccc1	427122873	UCMIXNQKUVAWIO-QHCPKHFHSA-N	414.509	5.092	30	20	HKED	
CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](c1ccccc1)c1ncc[nH]1	432770468	SPBSGUQRFMEALV-HSZRJFAPSA-N	423.476	5.327	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccccc1	433271614	UTKXFRNRVCSVCZ-QFIPXVFZSA-N	424.504	5.975	30	20	HKED	
Cc1cc(C)cc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	434151996	SQIHUGLQMGEUNW-UHFFFAOYSA-N	413.521	5.612	30	20	HKED	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	435102458	HTVISWLOIXWSCZ-MHECFPHRSA-N	424.504	5.220	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(Oc4ccnc5ccccc45)cc3)CC2)c1	435363721	NZOOFXQFCLSGBT-UHFFFAOYSA-N	405.457	5.569	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1	436366983	KQICFPNMWNZZQA-UHFFFAOYSA-N	402.425	5.028	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2SCC)cc1	437676223	JMVGBNDZYLSFGS-UHFFFAOYSA-N	414.958	5.519	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1Cl)c1ccccc1	445793990	GVNOGGYQPFVTEE-CYBMUJFWSA-N	411.839	5.915	30	20	HKED	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(COc2cccc(C#N)c2)c1	460213890	TVTXUGLEUAQHPG-LJQANCHMSA-N	411.505	5.012	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1	464467559	KTOHDVZUNBSHQG-HXUWFJFHSA-N	421.378	5.041	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)C[C@H](CC#N)c1ccccc1	464709408	KRGIQUGTFPWUJU-HNNXBMFYSA-N	403.345	5.587	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSC[C@H]1CCC2(CCCCC2)O1	466737462	FVXMYLQVJMNECY-ZWKOTPCHSA-N	418.628	5.492	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CN1CCCC1=O)c1ccccc1	475574223	KGMLRNYLKUHTKN-JOCHJYFZSA-N	405.542	5.024	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	476157959	REXQZYQFCOXLEW-UHFFFAOYSA-N	420.940	5.654	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)n2)c1	477725412	YYWPWUKIRYHOPN-UHFFFAOYSA-N	420.494	5.126	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	480711868	RTRGQIVSOQDMOA-UHFFFAOYSA-N	403.869	5.105	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[C@H]1C(F)(F)F	482040245	JVCNSUGVBHPNLY-HXUWFJFHSA-N	416.443	5.188	30	20	HKED	
Cc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1Oc1ccncc1	486568354	SBOITNIUDZTOAT-UHFFFAOYSA-N	415.537	5.507	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1S[C@H](C(=O)Nc1ccccc1)c1ccccc1	488735534	NZAFEIBJVUDAFX-SFHVURJKSA-N	413.424	5.444	30	20	HKED	
COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	497505433	OAKNPTATWAIIOY-GOSISDBHSA-N	415.493	5.420	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)Nc2cccc(COCc3ccco3)c2)c1	502423610	GUWCDLZMERPGOE-UHFFFAOYSA-N	413.380	5.113	30	20	HKED	
Cc1c(C(=O)Nc2sc3c(c2C#N)CCC3)sc2nc(C(F)(F)F)ccc12	502764453	WMBPNBYYDBISGV-UHFFFAOYSA-N	407.442	5.298	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](c2ccccc2)O1	502779369	QPXORYNTZPHBCC-XMSQKQJNSA-N	414.530	5.312	30	20	HKED	
CC(C)Oc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)c(C(F)(F)F)c1	503195352	YCPMHUBIMHTZNX-UHFFFAOYSA-N	421.419	5.819	30	20	HKED	
CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	505351950	VNCWFJQVOLTFML-AWEZNQCLSA-N	410.282	5.008	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)nn1-c1cccc(C#N)c1	505805914	ZOKDBQUBLWDFDA-IBGZPJMESA-N	421.504	5.478	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCc1nc2cc(Br)ccc2o1	506384721	XXDOLIPNBKNNMG-UHFFFAOYSA-N	414.206	5.168	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1	509663962	FWXSPCPNLLWVBY-UHFFFAOYSA-N	405.816	5.877	30	20	HKED	
COc1ccc(Cl)cc1N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	510767613	VAZFBQFTUGVXOO-UHFFFAOYSA-N	410.832	5.428	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	511145090	TYPFMPBQVAJWNF-FQEVSTJZSA-N	404.491	5.097	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	511321788	KIAGBULCPBWREV-DEOSSOPVSA-N	413.521	5.995	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	511557604	UTCRPAIAPFUTMX-LJQANCHMSA-N	407.411	5.313	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1	511604444	GFLVYHMHDACOCU-UHFFFAOYSA-N	420.896	5.434	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1CN(CCC#N)Cc1ccccn1	513742263	VVONRKJQHLQJDU-UHFFFAOYSA-N	407.521	5.159	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccccc2C(F)(F)F)cc1	517817140	LXGNNTJCLPPVDO-UHFFFAOYSA-N	424.422	5.532	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	518756698	GEKMTZHGTKEOTF-IRXDYDNUSA-N	413.612	6.464	30	20	HKED	
CSCCc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	520328783	HFZPISMCNOSDMZ-UHFFFAOYSA-N	402.519	5.703	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1	521965329	DBUVOMBVHVOHKA-UHFFFAOYSA-N	424.544	5.587	30	20	HKED	
C=CCc1cc(CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc(OC)c1OC	523309328	QBJDFOFISJTWOJ-MRXNPFEDSA-N	408.498	5.081	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1cccc(F)c1F	523364926	RAXHUZSMHNRDLJ-UHFFFAOYSA-N	408.423	5.450	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(Br)s2)n1	531070747	RUZDNDUIAZCKKB-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
COc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1Cl	533899810	MJQVAZXNPWUMMR-UHFFFAOYSA-N	406.869	5.246	30	20	HKED	
Fc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c2c(c1)COCO2	539422304	HDHKQZFDIDPPMT-MRXNPFEDSA-N	409.301	5.104	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	544247818	JZQPRIRJMDHIEB-FIKGOQFSSA-N	409.555	5.562	30	20	HKED	
C=CCC(CC=C)c1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1	545543450	TYSRECFPSDVABS-UHFFFAOYSA-N	404.495	5.274	30	20	HKED	
Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N)N(C)C	554208425	KWUSYEQNRFUNRH-SPEDKVCISA-N	410.587	5.202	30	20	HKED	
N#Cc1ccc2c(c1)N(C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)CC2	555772424	PACUBIJAEUPQQZ-UHFFFAOYSA-N	410.260	5.255	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cc2ccccc2)[nH]n1)c1nc(-c2ccc(Cl)cc2)cs1	556566709	PHTIDARCHYLXOB-SFHVURJKSA-N	418.909	5.267	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1nc(C#N)cs1	563629095	HDCHHBKAPKSMNL-JTQLQIEISA-N	419.373	5.060	30	20	HKED	
Cc1ccc(-c2noc([C@H](C)Nc3ccc(Oc4ccnc(C#N)c4)cc3)n2)cc1F	577806553	UQJYSGDUHPDLTN-HNNXBMFYSA-N	415.428	5.416	30	20	HKED	
C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCc1ccc(C#N)c(Cl)c1	588192512	VTNOSNKZBUPEOO-CYBMUJFWSA-N	409.839	5.003	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)C1	588345874	MDVAJBDHYPRWJT-SFHVURJKSA-N	409.342	5.198	30	20	HKED	
C=CCOc1c(Br)cc(CNc2ccnn2[C@H](C)C2CC2)cc1OCC	589649386	DRGCEIPFKQDGLI-CQSZACIVSA-N	420.351	5.192	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CNc1ccc(C#N)cc1[N+](=O)[O-]	603867063	GQQFOBDWVHCBDW-UHFFFAOYSA-N	404.426	5.055	30	20	HKED	
Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c2ccc(Br)cc2n1	603947884	SWMUBLSMOYYYHR-UHFFFAOYSA-N	400.301	5.108	30	20	HKED	
N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1	604002952	NXMXINPMLDCIRU-NRFANRHFSA-N	400.482	5.300	30	20	HKED	
Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2	609295951	FTMVUJUOYIRMMI-VWLOTQADSA-N	411.505	5.449	30	20	HKED	
COc1ccc2cc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2c1	609398402	YKOXAQBSPKEQCQ-MRXNPFEDSA-N	405.523	5.422	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CC(F)(F)F)c1ccccc1	609438558	KCGUBQJNSFWPHE-WMLDXEAASA-N	407.461	5.896	30	20	HKED	
N#CCCn1cc(/C=C\c2nc(-c3ccc(N4CCCCC4)nc3)no2)c2ccccc21	609475213	PICIUIFHWXLTHV-BENRWUELSA-N	424.508	5.161	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	611109599	WIJDHUJUEOHOMC-MDNUFGMLSA-N	417.509	5.128	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1	613392728	ZKSUBFNYVNWYJV-JOCHJYFZSA-N	410.498	5.879	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1cccc(C)c1	617940549	JRXZXGXDOQLFET-INIZCTEOSA-N	410.518	5.006	30	20	HKED	
N#CC(CCSc1nnc(-c2ccccc2F)o1)(c1ccccc1)c1ccccc1	618060563	WHONSPDPUDWGIE-UHFFFAOYSA-N	415.493	5.868	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1	619535546	FYPWBFDUYFCSPV-UHFFFAOYSA-N	404.441	5.577	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)c(O)c(Cl)c1	622485559	QUJHUILGATUCLB-ZDUSSCGKSA-N	415.692	5.237	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1Cl	727631690	HRMRNVARCCFKFZ-MDNBWPLSSA-N	403.894	5.615	30	20	HKED	
N#Cc1cccc(COc2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2Cl)c1	727973317	YLIFJGBROXMURW-UHFFFAOYSA-N	407.813	5.155	30	20	HKED	
CCc1cccc(C)c1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1	728200992	ZITXWELCWUXRCG-UHFFFAOYSA-N	417.484	5.198	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12	729070013	KEGGINWXSPWNSH-KRWDZBQOSA-N	405.910	5.672	30	20	HKED	
COc1ccc(CC(=NNc2oc(C)nc2C#N)c2cc(Cl)ccc2Cl)cc1	729141995	JRSRJRRCISCYMR-UHFFFAOYSA-N	415.280	5.229	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1	729382265	UZZGHYWCHUUAHS-UHFFFAOYSA-N	413.355	5.047	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	729891791	MQTYJRFCVCWJSS-GSTOJPGVSA-N	409.436	5.498	30	20	HKED	
Cc1ncccc1/C=C1\CCc2nc(-c3ccccc3Br)sc2C1=O	730435487	AKCSCPOIGAMLDG-SDNWHVSQSA-N	411.324	5.489	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CCc2ccccc2)CC1	731031168	MAUVLFIRKSKTMP-HXUWFJFHSA-N	421.610	5.222	30	20	HKED	
Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc2c(C)cccc12	731074676	SVZKAASXYHRYNB-CQSZACIVSA-N	422.506	5.097	30	20	HKED	
CC[C@@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	732496982	JOMVPOPDEMHFRL-AZUAARDMSA-N	408.548	5.566	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)OCc2cc3ccccc3nc2O)cc1	733491260	UXDTXFUSBJAHSN-UHFFFAOYSA-N	414.392	5.100	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(-c2ccncc2)cs1	734081317	IPQQSQHSXWZOOY-CQSZACIVSA-N	424.938	5.277	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)C1CCOCC1	734649797	LNVHXYWRCFIGGS-HTAPYJJXSA-N	409.555	5.228	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	739157807	XCTHVHXKRLMQKG-ABAIWWIYSA-N	422.859	6.024	30	20	HKED	
N#C[C@@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nc2cc(Cl)ccc2s1	740531452	UQIJAVYWGOLRER-AWEZNQCLSA-N	400.290	5.503	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)cc1	744033668	UMSACINHMOLOGE-HXUWFJFHSA-N	416.477	5.214	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3cnc(C(C)(C)C)s3)n2)cc1	744062665	UTCKPWDYNQIFJV-IBSYWUHOSA-N	423.563	5.462	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)C(=O)c3cccc(F)c3)n2)cc1	747108664	JEEOQCZQYWLAGW-DNVCBOLYSA-N	406.482	5.343	30	20	HKED	
COc1ccccc1/C=C(/C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1	747193233	FJGXSRHGKAFZCB-ACSPXDACSA-N	402.519	5.692	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)n1	747195829	AHABCYKDQWZTAY-AWEZNQCLSA-N	401.944	5.462	30	20	HKED	
COc1ccc(/C=C\C(=O)c2ccc(Br)s2)cc1OCCCC#N	747361251	JHTHJVNVZRIEJC-XQRVVYSFSA-N	406.301	5.098	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1	750688776	VZEZMHZKICTYBI-UFBFGSQYSA-N	401.702	5.159	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2oc3ccccc3c2C)cc1C#N	752293976	CALGGIRKQZGVLR-CQSZACIVSA-N	406.442	5.064	30	20	HKED	
Cc1ccc([C@H]2C[C@@H](OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)CCO2)cc1	757520707	NWGOVCRMWDUFTF-XUZZJYLKSA-N	417.461	5.116	30	20	HKED	
N#C[C@H](C(=O)C1(c2c(Cl)cccc2Cl)CC1)c1nc2ccccc2n1C(F)F	759537310	CXOFGOBXGGPSPG-LLVKDONJSA-N	420.246	5.646	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Br)s1	760365110	IXSPJZCVWFMZQX-SFHVURJKSA-N	411.324	5.727	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1	764055580	URCPXULFUGRYRP-DQEYMECFSA-N	410.521	5.450	30	20	HKED	
C=CC[C@H](C(=O)OCc1csc(-c2ccc(OC)cc2OC)n1)c1ccccc1	778417264	GLJAWOAKAHHLRB-IBGZPJMESA-N	409.507	5.230	30	20	HKED	
C[C@@H](N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)cc1F	779082230	KLUGSHRPWVPVFX-QRQCRPRQSA-N	409.505	5.773	30	20	HKED	
COc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	780678223	LVNMCVWTZPIDAI-KRWDZBQOSA-N	417.465	5.100	30	20	HKED	
C=C[C@@](C)(CCOC)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	783069711	LDKALZZBVZTKHE-KUHUBIRLSA-N	409.338	5.522	30	20	HKED	
CC(C)c1cccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)N(C)Cc3ccccc3)o2)c1	787064649	CDRGKIFZCLMYKI-OAQYLSRUSA-N	400.478	5.051	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(Cl)c(C#N)c1	787109026	VLOIBECZRLNJJJ-UHFFFAOYSA-N	419.699	5.324	30	20	HKED	
O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2s1	790237296	XUYURIFOOCLZDS-KRWDZBQOSA-N	400.425	5.030	30	20	HKED	
C[C@H](NC(=O)c1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1	793324876	NEAMKLXDPVPTNO-UGKGYDQZSA-N	411.505	5.204	30	20	HKED	
FC(F)Oc1ccc([C@H](NC(=S)NCCCCC(F)(F)F)C(F)(F)F)cc1	794990828	YIZXMDFNUDYCAI-NSHDSACASA-N	424.357	5.088	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)s1	797567831	MLZLRIXEIYPNIV-CQSZACIVSA-N	410.461	5.493	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)C(C)(C)c1cc(F)cc(C#N)c1	803926422	YNKLPRMBCNHFSC-UHFFFAOYSA-N	424.516	5.404	30	20	HKED	
COc1ccc(-c2nc3c(s2)C(=NNc2nccnc2C2CCC2)CCC3)cc1	807991657	OUVJHXAGNGNDHU-UHFFFAOYSA-N	405.527	5.029	30	20	HKED	
N#CCOc1ccccc1-c1nc(-c2cccc3c(Br)cccc23)no1	809431982	ZUOFYPKXZXAMMV-UHFFFAOYSA-N	406.239	5.222	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1sc2ccccc2c1Br	811914179	CWMHKMOETSFXOY-LLVKDONJSA-N	401.285	5.207	30	20	HKED	
CCOc1ccc(C(C)(C)C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OCC	813219156	WYTVWSCLTPMBNB-MRXNPFEDSA-N	420.431	5.052	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1ccc(Cl)cc1Cl	815908610	FWUDXTFYGIFASG-GFCCVEGCSA-N	420.683	5.018	30	20	HKED	
O=c1c2ccccc2ncn1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1	914865896	BTRIWJNGVDKJJM-UHFFFAOYSA-N	400.290	5.314	30	20	HKED	
CC[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997314	VFEZXWUTLXWSMY-WBVHZDCISA-N	415.345	6.487	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(Br)c1)c1nc2ccccc2n1C(F)F	917039694	BNLGGNBQNUUFEB-AWEZNQCLSA-N	418.241	5.003	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3c(O)cccc3C2=O)cs1	917560026	QBONFLPMUJBXQB-UKTHLTGXSA-N	410.882	5.009	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(Cc2cccs2)C(C)C)c1=S	919955408	YBRGSUTWCIDQLP-UHFFFAOYSA-N	414.600	5.205	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)no3)cc2)CCC1	1790161070	RHAPEEBNCVRODA-UHFFFAOYSA-N	421.541	5.314	30	20	HKED	
C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1	1831859509	BWQDMPHZDMESIA-HXUWFJFHSA-N	410.583	5.019	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2ccccc2c1=O	8282435	KUMFJPPGLJYKGT-QGZVFWFLSA-N	421.566	5.134	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(C#N)c(Cl)c1	16260939	ZFAHYGYYDLZNQY-UHFFFAOYSA-N	418.305	5.461	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)cc1	29201464	GKIVVVUQQWDYGU-UHFFFAOYSA-N	421.522	5.292	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SCc1cc(-c2ccc(F)cc2)no1	32785231	KTKGUPNHHYTKTL-UHFFFAOYSA-N	406.486	5.141	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cc(O)ccc2C)cc1	63857582	RACHKEXTQPDAGA-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	64455495	DQIRTHYOFHQTQF-UHFFFAOYSA-N	404.278	5.249	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(C)c1ccccc1-c1ccccc1	64815068	ISADYHZQADZGNO-UHFFFAOYSA-N	400.478	5.056	30	20	HKED	
Cc1cc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n2c(nc3ccccc32)c1C#N	71855659	MMBUJTJMIMEYNK-INIZCTEOSA-N	409.493	5.189	30	20	HKED	
N#Cc1ccc(CSCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1	117214215	ORTMYQJOUNVPCY-UHFFFAOYSA-N	404.457	5.001	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1	117534513	WGIXNHYVLLFTMC-UHFFFAOYSA-N	405.306	6.143	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCCSc1ccc(F)cc1	195570034	DNXNYAPKXODPPH-UHFFFAOYSA-N	419.522	5.206	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1	303408461	TYQPLERXXDAGOJ-LJQANCHMSA-N	415.562	5.399	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCSc4ccccc43)c2)cc1	303574268	CEVHEWPUTXBEEN-QFIPXVFZSA-N	400.503	5.104	30	20	HKED	
C[C@H](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1	303677085	QSKYREKLLIXDTC-HOYKHHGWSA-N	402.469	5.279	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2nccc(C)n2)cc1	303836705	RVUVFONTEQQNPL-UHFFFAOYSA-N	413.399	5.288	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cccc(SCC#N)c1	430695853	AOARKACWJAPHSM-CYBMUJFWSA-N	411.527	5.364	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl	431899289	CJHZTGWQWXNULG-JOXJFCDYSA-N	423.944	5.010	30	20	HKED	
Cc1cnc(C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)s1	433506240	MQCBRYYOWKIXLD-AWEZNQCLSA-N	400.573	5.115	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1	434333279	JLKAZQGSSVVMBI-QHCPKHFHSA-N	412.965	5.047	30	20	HKED	
CC(C)(C#N)CCCCS(=O)(=O)Cc1ccc(OCc2ccc(F)cc2)cc1	436090673	SBPVBZYKOMBYFD-UHFFFAOYSA-N	403.519	5.040	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSC(C)C)c1C	438470863	KFLMKOLKRUGZHJ-UHFFFAOYSA-N	413.543	5.765	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCC(F)(F)F)CC1CC1	438677205	GETOSHFUGYQLHH-UHFFFAOYSA-N	417.431	5.855	30	20	HKED	
CN(Cc1ccccc1NC(=O)N[C@H](CCC#N)c1ccccc1)C1CCCCC1	439301713	HDWRCLCBPNMRBF-HSZRJFAPSA-N	404.558	5.618	30	20	HKED	
O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(c2ccc(C(F)(F)F)cc2)CC1	440445869	APMVFMVMXSYLLW-UHFFFAOYSA-N	419.287	5.080	30	20	HKED	
Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	442681969	JFEIBGKDPFILSW-CYBMUJFWSA-N	400.454	5.344	30	20	HKED	
C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1	442913551	ILZKTTWEBQHRAD-LLVKDONJSA-N	406.294	5.680	30	20	HKED	
C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1	442913558	ILZKTTWEBQHRAD-NSHDSACASA-N	406.294	5.680	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@H]3c3ccccc3C(F)(F)F)o2)cc1	445994857	XLUHBKLFCYOWHF-PKOBYXMFSA-N	412.415	5.053	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)CCc2cccc(C(F)(F)F)c2)CC1	463754718	QBJASSKPUCGDJV-UHFFFAOYSA-N	416.443	5.016	30	20	HKED	
Cc1ccc([C@@H]2C[C@@H](C)CCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)o1	464841427	WZRKWDRQVCTWAT-HQRMLTQVSA-N	411.571	5.394	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	464967383	YQYKMTIUDLQRNQ-TYCQWZJGSA-N	400.444	5.182	30	20	HKED	
Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)n[nH]1	465411711	XAEYACJCCNYYFU-UHFFFAOYSA-N	409.449	5.005	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12	466598676	DXYFPCQJBXZXJW-DYESRHJHSA-N	406.526	5.036	30	20	HKED	
COCC[C@@H]1CCCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	467168882	KGZWTKZGIFHQFY-NRFANRHFSA-N	421.541	5.002	30	20	HKED	
N#Cc1ccc(CN2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1	470553420	MJJOTTBLAXMXGL-MRXNPFEDSA-N	420.378	5.231	30	20	HKED	
CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	470774124	RSRMYRJTCGQDJG-JOCHJYFZSA-N	403.526	5.038	30	20	HKED	
Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	473078776	YWOJJFIRRWRQDB-UHFFFAOYSA-N	408.264	5.362	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)C(C)(C)C	474155342	RXPSZAFRSPCDLM-QGZVFWFLSA-N	413.562	5.459	30	20	HKED	
C=C(C)[C@H](NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(F)c(F)c1	477740959	DDFLAQYHEKCMQQ-TYCQWZJGSA-N	419.541	5.026	30	20	HKED	
C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	480126637	SMHOFAWOCICLDT-IERDGZPVSA-N	404.901	5.615	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	480257627	CVKFGTNQCGHPHR-YWZLYKJASA-N	405.889	5.012	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCN1CCCCCC1	480592388	MSRGZZPORGAJCB-SFHVURJKSA-N	402.608	5.247	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1	480641944	XOIHMGCZYKMLCN-HXUWFJFHSA-N	404.869	5.039	30	20	HKED	
Cc1nc2cc(Cl)c(NC(=O)c3occc3COc3cccc(C#N)c3)cc2s1	484681490	RHRAEBMFOFYKQW-UHFFFAOYSA-N	423.881	5.554	30	20	HKED	
C=CCSc1ccccc1C(=O)NCc1ccc(Oc2cccc(OC)c2)nc1	485729104	BKEWLZAOLFGFBO-UHFFFAOYSA-N	406.507	5.091	30	20	HKED	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1Sc1ccccc1	486437075	RUULCIWKYSQQPZ-UHFFFAOYSA-N	404.539	5.136	30	20	HKED	
N#CC1CCN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1	488433872	ZHISFFHRNWKCKB-LJQANCHMSA-N	421.850	5.274	30	20	HKED	
COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc(OC)c1C(C)C	495304133	CXVNBJRXJKSSJQ-UHFFFAOYSA-N	409.530	5.389	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	496092212	GVYBZRMZAYQSHF-GFCCVEGCSA-N	404.278	5.472	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1	502622489	GYSAMRYFWISHJW-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
C=CCCc1ccccc1NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	505052795	YFGPNXAWGFMKHM-IBGZPJMESA-N	401.510	5.662	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1/C=C/c1ccccc1	505884662	JRUNNXNLTZWPPR-HJLKFOAISA-N	405.567	5.197	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1	509973706	ZYKNIOPBQVWJOV-UHFFFAOYSA-N	421.504	5.100	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	510008931	ASSZFLNYVRPGMJ-OPAMFIHVSA-N	421.903	6.359	30	20	HKED	
CC1(C)CC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC(C)(C)N1	510021785	ABPLWJZCRKATJN-FQEVSTJZSA-N	424.976	5.426	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCCOC2CCCCC2)cc1	511354262	WSDRFJZSUCAVQQ-UHFFFAOYSA-N	421.541	5.193	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1	515444824	AUDMJHXVEVLGSJ-UHFFFAOYSA-N	406.551	5.193	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)cc3c2C1	517520353	AUJFSRUNCHRNLM-HOTGVXAUSA-N	403.551	5.939	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	521293392	OYMGADMHTVYREH-JOCHJYFZSA-N	413.477	5.022	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	521733521	HWLVOEWCXSGQMY-ZIAGYGMSSA-N	423.460	5.276	30	20	HKED	
COc1cc(C[S@@](=O)[C@H](C)c2ccccc2F)ccc1OCc1cccc(C#N)c1	522662353	MWTMZNYCGBGHHG-BJLXPSRBSA-N	423.509	5.295	30	20	HKED	
CCOc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1	524392397	GTWTULXHKSHVTD-UHFFFAOYSA-N	400.478	5.026	30	20	HKED	
C[C@H](Oc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1)c1ccccc1	531441704	PVVIMNXGSYKWPE-IEXUWNMDSA-N	411.505	5.134	30	20	HKED	
Cc1ccc(C)c(Oc2ccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cn2)c1	532669966	QAKDVMGWKRRKDT-QFIPXVFZSA-N	414.509	5.335	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)N3CCC(Cc4cccnc4)CC3)cc2)cc1	538893523	PZHCYFYASZIUFJ-UHFFFAOYSA-N	411.505	5.035	30	20	HKED	
CC(C)CN(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccc(C#N)cc1	540494595	FMDUIYBVFPBWPV-UHFFFAOYSA-N	410.367	5.064	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1cccc(Cl)c1C#N	541172707	CMYJPNOOBCNNCF-CYBMUJFWSA-N	401.944	5.337	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2c2nccs2)cc1Cl	546592796	LZSUNMBAYPMHIH-UYAOXDASSA-N	422.941	5.059	30	20	HKED	
CCCCSc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1C(F)(F)F	546875050	QSIOINDQMZSNFV-UHFFFAOYSA-N	421.488	5.549	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1Cl	547952885	IZQKPBNALUTKCK-UHFFFAOYSA-N	407.307	5.120	30	20	HKED	
Cc1ccc(-c2noc([C@H](C)NC(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1F	551846989	CICBFFMVPIHGIW-ZDUSSCGKSA-N	420.469	5.070	30	20	HKED	
CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1SC[C@@H](C)C#N	554206938	SMYCPIMLCFSQDD-RJJVWVDVSA-N	423.582	5.411	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2ccccc2)C1	558988524	MQOFKULVZRAYTJ-JOCHJYFZSA-N	420.582	5.033	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1	561204306	FFFNJVUYEYBQPD-CQSZACIVSA-N	408.502	5.149	30	20	HKED	
Cc1sc(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C	569669357	OJGKKOQHMDXREQ-QMMMGPOBSA-N	409.374	5.438	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)ccc1Cl	585709672	SMOQZXAQDMLOKC-UHFFFAOYSA-N	419.893	5.897	30	20	HKED	
CCO[C@H](c1noc(/C=C\c2ccccc2C#N)n1)c1ccc(F)cc1C(F)(F)F	589155336	OIVBTJORKHEWNM-KWEPMOPPSA-N	417.362	5.395	30	20	HKED	
N#CC1(CC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1	590324707	NOLAXNKUQHQMRY-LBPRGKRZSA-N	418.259	5.138	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603689300	HAPCNJNTERUWPP-UHFFFAOYSA-N	414.490	5.624	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1	606772087	PSZJPUQOBYGVGN-AWEZNQCLSA-N	420.431	5.051	30	20	HKED	
Cc1csc(CCCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1	608916349	YGRAMZQDDKBYEJ-UHFFFAOYSA-N	420.538	5.568	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)cc2F)c1	609104889	QAQOKVRZBMUCPP-ZWKOTPCHSA-N	420.406	5.584	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	609208192	HHQHVANOGQRBKC-UHFFFAOYSA-N	407.392	5.165	30	20	HKED	
C[C@@H](NC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1	609221324	RXLJZKJIQQTPAF-MRXNPFEDSA-N	405.885	5.293	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN[C@@H]2CCSc3ccc(F)cc32)c1	609432609	AHYUEJYAYUCJPG-HSZRJFAPSA-N	404.510	5.603	30	20	HKED	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)CC3	609435402	MQNPDYBXOUAZEJ-MRXNPFEDSA-N	404.539	5.461	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1	609535149	MWEZJWFLZSHSAZ-VWNXMTODSA-N	412.558	5.917	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccco3)c2)cc1	609641251	LYTZMUSDRKXOBN-VWLOTQADSA-N	408.457	5.250	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCCc1ccc(Cl)cc1	610137434	IYZWKMFACONGQC-INIZCTEOSA-N	419.015	5.896	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(C#N)c1	610320958	WUOPJWUXSLKABT-KSFYIVLOSA-N	414.896	5.750	30	20	HKED	
CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc(-c3ccco3)nc21	613290911	OSGZGUYARPFPHF-SFHVURJKSA-N	421.460	5.310	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F	613346078	BQXMCFMARPPUGU-CYBMUJFWSA-N	421.280	5.755	30	20	HKED	
CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1	615244211	ZLSFRJQYFUKSSS-UHFFFAOYSA-N	419.525	5.119	30	20	HKED	
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@@](C)(C#N)C1	619537558	AHHYGAIGRGGADJ-FQEVSTJZSA-N	406.313	5.367	30	20	HKED	
C=CCn1c(S[C@H](C(=O)NC(C)(C)CC)C(C)C)nnc1-c1ccc(Cl)cc1	639428489	WOMKBAGAXUMNCM-KRWDZBQOSA-N	421.010	5.206	30	20	HKED	
C=CCOc1ccccc1C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C	643182631	JOKPHJMWAZOHRW-UHFFFAOYSA-N	401.466	5.456	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674563480	WTOFQRBVHJHNIG-RKDXNWHRSA-N	412.227	5.049	30	20	HKED	
Fc1ccc([C@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccnc2)cc1	680337278	SWYLOFKTIGASNO-IDCNUPLLSA-N	420.372	5.809	30	20	HKED	
N#C[C@@H](C(=O)c1scnc1C1CCCC1)c1nc2cc(C(F)(F)F)ccc2s1	680617283	NGXHKSSUZFWNSW-LBPRGKRZSA-N	421.469	5.919	30	20	HKED	
CC(C)c1ccc(C=NOCc2nc(-c3cccc(Br)c3)no2)cc1	727484154	XRSLLKQLWGXRHC-UHFFFAOYSA-N	400.276	5.173	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cnc(-c2ccccn2)s1	727661824	GUEUCLGKNRLBBT-UHFFFAOYSA-N	414.943	5.044	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)O[C@@H](c3ccccc3)c3ccccn3)o2)cc1	727987879	MFPQIMCSXOGHFX-DEOSSOPVSA-N	410.429	5.072	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(F)c1	728298377	DYAQGZDVHRVOBV-INIZCTEOSA-N	421.447	5.163	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1	729654481	AJRDJBNQVUJCCK-UHFFFAOYSA-N	419.403	5.105	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2o1	730071486	NOSRLQGXKUCJDZ-IBGZPJMESA-N	416.864	5.479	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)c2ccccc21	730872636	BLBUBDVYEMEFTO-GOTSBHOMSA-N	422.484	5.238	30	20	HKED	
C[C@H](NC(=S)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1Cl	730953080	MKXHKNBRSAWQNQ-LBPRGKRZSA-N	410.395	6.047	30	20	HKED	
FC(F)(F)c1ccc(C=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1	733081459	ZDMWJQAWPWCDIA-UHFFFAOYSA-N	411.309	5.022	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccncc1	734234450	OMKBZNWITWNOMC-IBGZPJMESA-N	424.298	5.079	30	20	HKED	
C=CC[C@@H](NCc1ccc(OCc2ccccc2)c(Br)c1)c1ccncc1	734510110	QRAKDWHFHSAMQK-JOCHJYFZSA-N	423.354	5.830	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	735309826	UYZFRNGAWGJGFA-LJQANCHMSA-N	411.716	5.123	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(OC(F)F)c(Cl)c1	735622432	AXCLFBJHHGUKKP-UHFFFAOYSA-N	423.916	5.668	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(C3SCCS3)cc2)c1C	739668180	AHIKUSKSKYXZDN-UHFFFAOYSA-N	420.563	5.092	30	20	HKED	
CCc1cccc(CC)c1NC(=S)Nc1ccc(Oc2ccccc2C#N)c(F)c1	743035270	FWUYUNVCPRIRDT-UHFFFAOYSA-N	419.525	6.423	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC[C@@H]1c1ccccc1	743092738	CGLONJDRZSMAPG-BQQUOAEZSA-N	409.533	6.000	30	20	HKED	
Cc1ccc(CCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	751151175	HCXKMLAYQNNWBV-FQEVSTJZSA-N	418.518	5.519	30	20	HKED	
N#Cc1ccc(F)cc1COC(=O)c1ccsc1NC(=O)c1ccccc1Cl	759361152	GIHMDSJZNVOKMB-UHFFFAOYSA-N	414.845	5.022	30	20	HKED	
COc1ccc(C(=O)CCCCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1	760206036	YSGPRTLPCDNCHT-KRWDZBQOSA-N	410.470	5.064	30	20	HKED	
COc1ccc2c(c1)[C@@H](C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)CC2	763953221	TWPYRLOYLZQAOB-HOCLYGCPSA-N	410.445	5.003	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c(F)cccc1F	764567850	ZOEDSUPWNAUWOO-BXUZGUMPSA-N	402.853	5.722	30	20	HKED	
N#Cc1ccc(CN[C@@H]2CCCc3nc(-c4ccccc4Br)sc32)cc1	765014520	LLXYGWRHTBAURL-GOSISDBHSA-N	424.367	5.611	30	20	HKED	
CC(C)C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)cc1	775460790	KXSSSCZIPIPIDD-TZIWHRDSSA-N	418.928	5.254	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@H](CC)Cc1ccccc1Br)c1ccncc1	776150763	UPIOMKSPWAHPKG-QUCCMNQESA-N	416.363	5.124	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccccc1	777289872	BLIUWNVNNHUTOX-FUHWJXTLSA-N	421.522	5.129	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)n1	777325608	QLLKBRKYGGRECR-MRXNPFEDSA-N	411.527	5.054	30	20	HKED	
C=CC[C@H](C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	778427171	CNJCLVXECGEICO-AWEZNQCLSA-N	412.700	5.488	30	20	HKED	
COc1ccc(SCCCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1	781448497	SDJUOHXYIUJHAK-NRFANRHFSA-N	418.518	5.068	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nc2cc(Cl)ccc2s1	783357757	KPKMHMAGHYRUGF-KRWDZBQOSA-N	408.910	5.278	30	20	HKED	
C[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(OCC#N)cc1	793563961	APMDQTWYKWMBKX-AOMKIAJQSA-N	418.459	5.426	30	20	HKED	
Cc1c(C(=O)OCc2nnc(-c3ccccc3Cl)o2)sc2ccc(C#N)cc12	796613456	AKWIHTSGGWXPQJ-UHFFFAOYSA-N	409.854	5.142	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](OC(C)C)c3ccccc3)n2)cc1	796777162	ZAYXXPXKGOHGRH-SIKLNZKXSA-N	406.507	5.161	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccccn3)C2)cc1Cl	799207745	KJRDSFPTDKRFLX-RXVVDRJESA-N	416.912	5.412	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3csc(C)n3)cc2)cc1	799604003	RJEIICLLGPGXLA-BTYIYWSLSA-N	417.534	5.593	30	20	HKED	
O=C(CC(F)(F)F)Nc1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1	801709529	PKSKGAAMENPVCR-OAHLLOKOSA-N	422.300	5.246	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1nc(Br)sc1C1CC1	813399131	JJICMQITUDUXOX-SNVBAGLBSA-N	422.373	5.287	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cccc(-c3cn4c(n3)CCCC4)c2)c1	864007009	YAHGBUKHRHGNBJ-UHFFFAOYSA-N	407.315	5.133	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1	877886412	MYVHJJGFPGDPDS-UHFFFAOYSA-N	407.564	5.537	30	20	HKED	
CC(C)(C)OC(=O)NC1(c2noc(C3(c4ccc(C#N)cc4)CCCC3)n2)CCCC1	904422626	RRRYACLISFBWNM-UHFFFAOYSA-N	422.529	5.095	30	20	HKED	
CSc1ccc([C@@H](C/N=C/c2cccc(O)c2O)N2CCc3sccc3C2)cc1	915980186	YMTPSBGYIQWUIF-FINLKQIMSA-N	424.591	5.100	30	20	HKED	
Cc1cc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2C)no1	917026000	VDHISJPKCWAYMO-SFHVURJKSA-N	402.479	5.004	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccccc2)[C@H](C)CC)c1=S	917455331	SXJHAEXYTXEBAX-LJQANCHMSA-N	422.598	5.534	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(Cl)c(Cl)c2)cc1	918628947	FHMZELLGOKDKKO-UHFFFAOYSA-N	414.267	5.242	30	20	HKED	
COc1cc(C=NOCc2csc(-c3ccc(F)cc3)n2)ccc1OC(F)F	920256902	CHICRAQZAABXBW-UHFFFAOYSA-N	408.401	5.110	30	20	HKED	
Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1Cl	920804003	IIOXNRDZVMEHPI-ZDUSSCGKSA-N	418.852	5.305	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccccc1F)c1nc(-c2c(F)cccc2F)cs1	920805854	GJDHQTUDMAQKTK-GFCCVEGCSA-N	418.465	5.586	30	20	HKED	
N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccccc45)cc3)CCC2)CCC1	1788897022	MMQGWASNFRCYKS-UHFFFAOYSA-N	423.516	5.281	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ncsc34)cc2)CCC1	1789344497	WZRNKLLESSAIPS-MRXNPFEDSA-N	419.550	5.256	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCC4)CCC3)cc2)c(Cl)c1	1790764181	OBZUPPDPBDGBOS-UHFFFAOYSA-N	419.912	5.070	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1	4285969	OBUJNHYBSSWAOC-UHFFFAOYSA-N	406.555	5.159	30	20	HKED	
N#CCc1ccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1	15499080	PKFVZJMKXVIBJA-OAQYLSRUSA-N	409.411	5.563	30	20	HKED	
N#Cc1ccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1	47358958	HUXLWLOMKCRVAR-UHFFFAOYSA-N	411.511	5.792	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)cc1	50557528	ATOPWPTXCXPQDP-UHFFFAOYSA-N	412.902	5.023	30	20	HKED	
C=C(C)COc1cc(CN[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)ccc1OC	60950011	JOOLUNXTARDBQY-AREMUKBSSA-N	421.512	5.677	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)ccc1OC	60950033	FJUAEOKDLDWJCD-KRWDZBQOSA-N	409.505	5.134	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1Cl)c1ccccc1	64657818	KTKXJBWQAGSJJG-INIZCTEOSA-N	404.901	5.435	30	20	HKED	
COc1ccc(SCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1	108737134	YEDFWSAFEXCRTF-UHFFFAOYSA-N	420.509	5.027	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	195662628	NFUAILKWSZOZJL-BXUZGUMPSA-N	418.305	5.156	30	20	HKED	
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	303141253	DQHJJPMUQMYBRG-INIZCTEOSA-N	406.869	5.197	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1	303236884	XTVKJYCFBJYPDN-LJQANCHMSA-N	401.853	5.285	30	20	HKED	
O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303687465	OGPZNQFFSLRRFF-RYUDHWBXSA-N	419.287	5.152	30	20	HKED	
FC(F)(F)c1ccccc1[C@H](NCc1ncccc1C(F)(F)F)C(F)(F)F	429335773	ZCTYJNGFTBZAKL-ZDUSSCGKSA-N	402.260	5.512	30	20	HKED	
CC(C)c1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c2cnn(C(C)C)c2n1	430611754	PFVUERBNYWTFLW-OAHLLOKOSA-N	409.559	5.380	30	20	HKED	
Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	432979529	NGAVNSRTFPTBDT-UHFFFAOYSA-N	412.493	5.004	30	20	HKED	
C[C@@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F	436420389	FFGAMRNEHADSEI-GZMMTYOYSA-N	410.280	5.197	30	20	HKED	
CCC(=O)c1ccc(O)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	436650689	ZVZYSBGGCCQQPW-UHFFFAOYSA-N	416.502	5.401	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(O)nc3cc(F)ccc23)cc1F	437458318	IJGPGUPUFOBMDJ-UHFFFAOYSA-N	417.371	5.135	30	20	HKED	
C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	437910884	RGVOVYAFHDIXGK-IBGZPJMESA-N	411.505	5.310	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2ccc(COCc3ccccc3)cc2)c1	438375316	HCEYGBYMJDVHHF-UHFFFAOYSA-N	415.493	5.730	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)c(Cl)c1	438822260	VMCHIOCGQNYQLR-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
CCCc1c(NC(=O)c2ccc(Br)cc2C)cnn1-c1cccc(C#N)c1	440081836	QUEOVKFUEWYVDD-UHFFFAOYSA-N	423.314	5.020	30	20	HKED	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	443873300	CIHYUORWZHPJQH-VPHKFGTKSA-N	420.553	5.644	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)CC(=O)Nc3oc(C)c(C)c3C#N)s2)cc1	448000184	MQODHMYQBVNDCZ-INIZCTEOSA-N	422.554	5.140	30	20	HKED	
CCN(C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1)c1ccc(C#N)cc1	461538177	BSIRMPAUHISDKG-UHFFFAOYSA-N	418.497	5.132	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)c1C	468002212	WQEZWUCFVSXSIJ-UHFFFAOYSA-N	416.378	5.079	30	20	HKED	
N#C[C@@H]1N(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CCC[C@]12CCCCO2	468646739	YMDVVHIMKMJJOB-PZJWPPBQSA-N	418.415	5.033	30	20	HKED	
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cn(CCCC#N)c2ccccc12	469090864	XLHFKMVODQUVGN-UHFFFAOYSA-N	422.532	5.491	30	20	HKED	
Cn1c(C(C)(C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc21	472010061	PHPWGBMGJPOILV-UHFFFAOYSA-N	424.504	5.097	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC)c1nc(-c2ccccc2)cs1	472803829	ASQUTPHTGFJGRW-QUCCMNQESA-N	420.534	5.150	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	474530414	FIJWUBMLYVUYJI-HSZRJFAPSA-N	421.928	5.231	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C	477999849	RMVRXWBHNWLALO-UHFFFAOYSA-N	420.561	5.185	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OC4CCC4)c(F)c3)o2)cc1	480167481	TUEOBPPUYLSPTR-UHFFFAOYSA-N	406.413	5.053	30	20	HKED	
C=C(C)Cn1c(SCc2cc(F)cc(Br)c2)nnc1-c1ccncc1	481366508	BANNCZFYGAJYMB-UHFFFAOYSA-N	419.323	5.110	30	20	HKED	
C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481629855	USGQWOBCURHGQN-OAHLLOKOSA-N	421.497	5.489	30	20	HKED	
COc1ccc(CNC2CC(F)(c3cccc(Cl)c3)C2)cc1OCCCC#N	481833672	FGAMFHMYJLMLPL-UHFFFAOYSA-N	402.897	5.148	30	20	HKED	
CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1nccc2ccccc12	483219027	JGNSRCSWYHCRRL-LJQANCHMSA-N	411.486	5.063	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(C2CCCC2)CC1	483453272	GLYCNSRCVCMHOV-UHFFFAOYSA-N	418.541	5.188	30	20	HKED	
C[C@@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1c[nH]c2ccccc12	485934635	RRMRZQMGGXMKCU-KKXNLOMOSA-N	401.510	5.040	30	20	HKED	
CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccc(Br)cc2)o1	486995819	ICHVZBFIMKACQW-UHFFFAOYSA-N	414.328	5.593	30	20	HKED	
C=CCC[C@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1C)c1ccccc1	488678906	SRZOLESLJWTSFG-QFIPXVFZSA-N	414.553	5.668	30	20	HKED	
C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	489714697	YUELHWPJULEKPF-GOSISDBHSA-N	417.484	5.179	30	20	HKED	
COc1cc(C#N)ccc1CSc1nnc(-c2ccncc2)n1C1CCCCC1	499309065	SETCXYFQKNMCQT-UHFFFAOYSA-N	405.527	5.018	30	20	HKED	
CCOc1ccc(N(CC)C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1	500433364	AXGRIZYRVSAXJW-UHFFFAOYSA-N	400.478	5.203	30	20	HKED	
CSc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	502631737	FVYZWKOKZNPUHD-UHFFFAOYSA-N	403.507	5.698	30	20	HKED	
COc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc(Cl)c1OCC(C)C	503880416	ZMPLMRPLININLP-UHFFFAOYSA-N	424.928	5.185	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1	505176635	MEDYVIOYSIHNRJ-UHFFFAOYSA-N	424.957	5.455	30	20	HKED	
COc1cc(CN(CCC#N)Cc2cccnc2)ccc1OCc1ccc(Cl)cc1	505843064	UGOACPALBZYLOC-UHFFFAOYSA-N	421.928	5.238	30	20	HKED	
C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)C1CCCCC1	506530026	FKTUOWJUHBMLLX-KDOFPFPSSA-N	417.962	5.205	30	20	HKED	
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)C1	507719742	TXOOTXZPBXQUIT-NWDGAFQWSA-N	401.322	5.021	30	20	HKED	
N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1	508595970	PYOIVGSOXUVANS-SANMLTNESA-N	419.484	5.052	30	20	HKED	
CCN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(C#N)cc1	510373198	DLKSXRUNHRITHM-UHFFFAOYSA-N	403.429	5.172	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2	510536722	FADPLFABALGDBM-INIZCTEOSA-N	415.449	5.270	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1cc(F)ccc1F	510906368	LUIAWBQRAPOTFW-MRXNPFEDSA-N	421.447	6.162	30	20	HKED	
COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CCC3)cc1	511748774	UARYYXOJHVSLJZ-SFHVURJKSA-N	423.925	5.151	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@]2(CC=CCC2)C1	512560599	SBMDANVVBYNJAJ-SANMLTNESA-N	415.537	5.800	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(F)c1	513450483	KKIIDOHIUSKLBV-UHFFFAOYSA-N	408.260	5.079	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(OCCc2ccccc2)CC1	513504953	GZYCBJOYMHNKEG-UHFFFAOYSA-N	410.517	5.089	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1	513686522	ANMSFPPQRHJKST-HXUWFJFHSA-N	412.518	5.411	30	20	HKED	
CC(C)Oc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513993564	CFLCGRDIKJGLFK-UHFFFAOYSA-N	417.484	5.719	30	20	HKED	
CC(C)(C)c1ccccc1NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1	515662975	UULVFXPDYJJVFU-UHFFFAOYSA-N	413.521	5.485	30	20	HKED	
COc1ccc2c(c1)CCCN(C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)C2	517132224	PUGQLAVJBQMJNY-UHFFFAOYSA-N	413.477	5.339	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1	518454068	XGDPFLYEAYTZCH-VXKWHMMOSA-N	422.912	5.178	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)CCCCOc2cccc(C#N)c2)c1	520315266	NNUJUJFEMUDWLQ-UHFFFAOYSA-N	416.525	5.114	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCc3cc(F)cc(F)c32)cc1	520714502	XWZHXCLSHRYINS-UHFFFAOYSA-N	408.379	5.361	30	20	HKED	
COc1ccc2oc([C@@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(C)c2c1	521259751	QHLMGMUSXKLETA-GOEBONIOSA-N	423.538	5.884	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CSc2ccccc21	524560221	ZIIVPIXYSRRDTA-OAQYLSRUSA-N	401.491	5.628	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	525558410	MHWRKIUOKLJMKJ-RTWAWAEBSA-N	420.434	5.621	30	20	HKED	
C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](c2ccc(F)cc2)O1	525603745	CFGHACOAMRTWPH-BXKMTCNYSA-N	415.468	5.043	30	20	HKED	
N#CCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1	534637170	AQGSPYVHZJSOQM-OAQYLSRUSA-N	405.295	5.035	30	20	HKED	
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1	541612233	XAAUMTQOMDRXBZ-UHFFFAOYSA-N	424.287	5.394	30	20	HKED	
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1	542034075	ZQFMVSUDFIENTQ-IBGZPJMESA-N	405.889	5.075	30	20	HKED	
Cc1cnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nc1	542124131	VOPVZKYNXHKQFD-ZDUSSCGKSA-N	417.275	5.216	30	20	HKED	
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1	542956288	DBDDVNSQOGDEGH-LJQANCHMSA-N	405.889	5.075	30	20	HKED	
N#CCc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1	543151818	MPKMLGWNLKUYDR-UHFFFAOYSA-N	417.925	5.341	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	555007525	MVZBQCCEVLIZRJ-HSZRJFAPSA-N	414.465	5.123	30	20	HKED	
C=CCOc1ccc(CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1	555860417	GIXXHLNSGQYFFU-SFHVURJKSA-N	404.485	5.494	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1OCC	556707928	OAMNWPXOCUFNBS-UHFFFAOYSA-N	418.896	5.617	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1	558342890	UUFPGFSLZOJINN-CQSZACIVSA-N	419.497	5.338	30	20	HKED	
COC(C)(C)c1nc(C)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)s1	561402450	DGRXNHBGPZKIND-UHFFFAOYSA-N	421.522	5.036	30	20	HKED	
Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	561492717	NRRCQROOOBVADC-CTNGQTDRSA-N	407.583	5.876	30	20	HKED	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(CCC#N)c3ccc(F)cc3)c12	561919402	ZOCUZXIWBPDAGR-UHFFFAOYSA-N	418.428	5.306	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4cccnc4)cc3)o2)cc1	569762398	NJEXSZMCKLUWST-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
Cc1cc(N2CCCCCC2)ccc1NC(=O)c1c(Cl)cc(C#N)cc1Cl	587152768	ZYPFQIWMNRDWJR-UHFFFAOYSA-N	402.325	5.806	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)C)cc1	603705769	UYPBPQMUDVUIPI-BTYIYWSLSA-N	411.933	5.177	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)nc3)cn2)c1	603756037	FLNSZJLQKLTYTB-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
CSc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-]	603825410	HMOHIDNRHBRTAE-HNNXBMFYSA-N	409.492	5.239	30	20	HKED	
N#CCCN(C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc(F)cc1	604455776	IYZSURWJBRDFCP-UHFFFAOYSA-N	408.860	5.619	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1	604494759	LPWFSFAJZIGIIP-INIZCTEOSA-N	403.448	5.506	30	20	HKED	
COc1ccc(CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1	609064617	IENAZMRTBGIIRQ-UHFFFAOYSA-N	400.478	5.107	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCOc1ccccc1	609078095	BONWDRFELXHMHD-UHFFFAOYSA-N	415.493	5.036	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1Cl	609164274	KKZDABAOIQELIJ-OAQYLSRUSA-N	411.892	6.243	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)n1	609378092	RDBUVWZFVPLQEG-MRXNPFEDSA-N	404.539	5.052	30	20	HKED	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609644132	KERYTCBOMUXNFM-INIZCTEOSA-N	404.432	5.186	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(F)c(F)cc2F)c1	609724158	XYUFJIODJOONDB-UHFFFAOYSA-N	402.759	5.674	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)c2)cc1	610961619	RYLPLJCUWKFGOK-UHFFFAOYSA-N	418.403	5.134	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccccc1	610972860	DDLSUJHEVNSBEX-LJQANCHMSA-N	412.465	5.179	30	20	HKED	
N#Cc1c(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)sc2c1CCCC2	611184122	PVGHCTXMKBPNOV-UHFFFAOYSA-N	415.490	5.812	30	20	HKED	
CCOc1cc(F)ccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612806248	XSSBCDNPTXYBQU-IAZYJMLFSA-N	416.337	5.255	30	20	HKED	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H]4CCc5cc(C#N)ccc54)cc3)o2)cc1	618735119	INKBSEWPVRBMLP-QHCPKHFHSA-N	420.472	5.001	30	20	HKED	
CC[C@H](C)[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F	683632045	LGEUWTHXRCHAED-DAWVFNFOSA-N	416.328	5.172	30	20	HKED	
Cc1ccc2c(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c2c1	726322910	QZWFHQMISVBTCW-HNNXBMFYSA-N	413.424	5.524	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@]3(C)CCCc4ccccc43)n2)cc1	726325886	VXCIUXPLVLLVER-YADARESESA-N	402.519	5.289	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3csc(-c4ccccn4)n3)s2)cc1	727974643	LIVZMDYGXVCTKL-DHZHZOJOSA-N	419.531	5.542	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	727996781	MYJGQEGBBXQWMY-GHXNOFRVSA-N	413.433	5.006	30	20	HKED	
CCc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728175058	HKBFPRNXQGCLKK-UHFFFAOYSA-N	405.498	5.648	30	20	HKED	
CCCN(Cc1ccccc1O)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	730282216	IVYCEXRRSBIBAP-UHFFFAOYSA-N	404.441	5.248	30	20	HKED	
O=C(O)c1ccoc1COc1ccc(/C=C2/CSc3c(F)cccc3C2=O)cc1	730949090	RPFQOTPHNQJKIJ-UVTDQMKNSA-N	410.422	5.068	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1	730982161	JPWUEPRXJRDYCB-UHFFFAOYSA-N	424.529	5.797	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1Cl	731064121	VPKDPSFUEUOBGN-LBPRGKRZSA-N	423.321	5.183	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F	731146182	FNISMTHGLCXGKX-JEJOPICUSA-N	410.189	5.181	30	20	HKED	
Cc1ncc(/C=C/C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1	732901422	RNQDALXLGYBDOU-DZOCOACZSA-N	409.580	5.266	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1	734963570	JKMKLGMUFVYNIS-LAUBAEHRSA-N	416.452	5.459	30	20	HKED	
CC(=NOCc1nccn1CC(F)(F)F)c1ccc(OCc2ccc(F)cc2)cc1	736609640	BDBRGKMMGAOHEY-UHFFFAOYSA-N	421.394	5.104	30	20	HKED	
COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cc([N+](=O)[O-])ccc3C)c2)cc1	739426346	SZRXTZGYOJYGBQ-QPEQYQDCSA-N	416.433	5.060	30	20	HKED	
O=C(/C=C\c1cnc2ccc(Br)cn12)c1cccc(-c2ccncc2)c1	741474769	ZOYVMUMHOYCHGY-WAYWQWQTSA-N	404.267	5.055	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)c1ccc(CSc2nc(C)cs2)cc1	741726695	FCLSGLVWYONIEQ-UHFFFAOYSA-N	412.511	5.147	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)c1	742679649	YZQXULXPFSUGPJ-XATQLNLPSA-N	402.416	5.106	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	743238896	XYBVTOVBCIFVRD-UHFFFAOYSA-N	420.400	5.312	30	20	HKED	
N#Cc1ccc(/C=C(\Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)s1	749000279	WRTYZFKJRYOMRX-AUWJEWJLSA-N	413.886	5.461	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCCc3ccc4c(c3)-c3ccccc3C4)nc12	750728210	CAOAJFAWDDTPFB-QFIPXVFZSA-N	406.489	5.037	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)ccc1OCC(F)(F)F	750897227	YIYANUDQFILSRF-KRXBUXKQSA-N	402.315	5.134	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1	752165962	NTDPYDUCIOEFKB-QWGSZXSUSA-N	423.419	5.753	30	20	HKED	
C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1ccc(Br)s1	752658245	FDKJFGBNVVLPRI-AWEZNQCLSA-N	423.307	5.031	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cnc(-c4ccccn4)s3)s2)cc1	753144608	OFVPREOOZWUUCP-KHPPLWFESA-N	419.531	5.542	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl	753321135	PWBXHDLVHDUODG-GOSISDBHSA-N	418.324	5.310	30	20	HKED	
COc1cc(F)c(C(=O)/C=C\c2cccc(OCc3ccccc3C#N)c2)cc1OC	760262518	AYJMAOZEHXELNC-KHPPLWFESA-N	417.436	5.190	30	20	HKED	
Fc1cccc(-c2nnc(CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1	760449787	LJYVUONRVPRMPL-UHFFFAOYSA-N	405.273	5.525	30	20	HKED	
N#Cc1cc(NC(=O)COc2ccc3oc4ccccc4c3c2)c(Cl)c([N+](=O)[O-])c1	764303847	RJBNNCKPIZDVHU-UHFFFAOYSA-N	421.796	5.037	30	20	HKED	
C[C@@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1	765940240	WAKLJKJWBYVAON-NHYWBVRUSA-N	417.303	5.253	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1	769222433	MCDZKQKWNWTLIC-FPOVZHCZSA-N	417.459	5.642	30	20	HKED	
C[C@H](N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(OCC#N)cc1	776156407	MDSIQFINKZTBHW-MHECFPHRSA-N	414.484	5.170	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1	780588988	ZKUFWOHBSZFVLQ-INIZCTEOSA-N	412.449	5.353	30	20	HKED	
C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(CC#N)CC2)c1=S	781573108	XEHYCXVWYGDSFH-UHFFFAOYSA-N	409.603	5.148	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)cc2cccnc12	783815032	AICRHGQAKXGEFX-UHFFFAOYSA-N	417.538	5.008	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3ccc(SC(F)F)cc3)ccc21	786827767	QJWHUHIVUDDGGM-UHFFFAOYSA-N	401.482	5.196	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)C[C@@H](CC)Oc2ccc(Cl)c(Cl)c2)c1	787198366	WSOOEVJHVDELDW-MRXNPFEDSA-N	407.366	5.461	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	789456382	PKRFLUBAIFOGKF-MJGOQNOKSA-N	415.578	5.306	30	20	HKED	
COc1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)c(OC)c(C)c1OC	793391622	QWFWJMWMWJFTJZ-UHFFFAOYSA-N	418.493	5.084	30	20	HKED	
C[C@H](Sc1nc2cccc(Br)c2s1)C(=O)Nc1ccccc1C#N	794513136	HEZVHEKGOMFBFW-JTQLQIEISA-N	418.341	5.050	30	20	HKED	
C[C@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	797613110	DIWKMGUFMDXDBU-RSXGOPAZSA-N	413.496	5.677	30	20	HKED	
COc1ccc([C@@H](NCC(C)(C)CCC#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1	806175835	GFZVWWMGHSPMNH-LEWJYISDSA-N	415.578	5.055	30	20	HKED	
Cc1cccc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)sc12	808979130	FSQWFTSLYHGRAP-HNNXBMFYSA-N	416.474	5.486	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	915085307	ACBDMVDPEILWOY-LJQANCHMSA-N	402.906	6.462	30	20	HKED	
Cn1c([C@H](C#N)C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)nc2ccccc21	916844070	USTFJCAGJJENCT-QGZVFWFLSA-N	411.427	5.280	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccco2)n(CC(C)C)c1=S	917457274	FACOJCFAAKQFSH-UHFFFAOYSA-N	409.559	5.071	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc2Cl)cc1	917877217	WYMZVCZQYDKYOJ-UHFFFAOYSA-N	418.667	5.958	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1	920104280	PFSLCHKPHZUFPT-JOCHJYFZSA-N	424.525	5.974	30	20	HKED	
COc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC	921011507	YSXOHAOKGSJCLS-MKMNVTDBSA-N	400.434	5.020	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3OC)CCC2)cc1	1789456209	LOIRPVVZTMIQDT-NRFANRHFSA-N	418.537	5.211	30	20	HKED	
C[C@@H]1C[C@]1(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1	1790767960	UJOLKBAETMPJBB-CMJOXMDJSA-N	421.928	5.005	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC2)cc1	1791300782	CRVLTYVCPKGRAK-LEWJYISDSA-N	424.491	5.136	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cscc2C)n[nH]1	1818240553	AYVRPOQOTKTAJJ-GOSISDBHSA-N	414.575	5.078	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCCC2)CC1	1829065802	CIBCULUSSJOXFS-JOCHJYFZSA-N	402.623	5.179	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)c(C)s1	11258964	INXQYJFOZLKRDK-UHFFFAOYSA-O	415.991	5.665	30	20	HKED	
N#CCc1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1	105552917	VVOWJENNRNCQIX-UHFFFAOYSA-N	401.413	5.076	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(C)cc3)s2)ccc1OC	237021092	HRQOGCCYSJLBQW-FQEVSTJZSA-N	406.551	5.703	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1	303936264	XXBSSQWOPDFHNT-LSDHHAIUSA-N	406.473	6.089	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	426502579	CRELJSAHFSWJHJ-AWEZNQCLSA-N	407.804	5.367	30	20	HKED	
COc1ccc([C@@H](NCc2cccc(F)c2C#N)c2ccccc2Cl)c(OC)c1	427425100	TUNWNBNPGHGXTI-QHCPKHFHSA-N	410.876	5.247	30	20	HKED	
CCN(CCC#N)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C	429045473	LHEVXKHZVWJUBG-UHFFFAOYSA-N	418.419	5.034	30	20	HKED	
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c(Cl)c1	430361777	ZYVZLSNNQAKDID-UHFFFAOYSA-N	420.881	5.146	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1nc(-c2ccccc2F)cs1)c1ccccc1	431926605	RZBNPLWUGVICEN-LJQANCHMSA-N	408.502	5.184	30	20	HKED	
CCC(CC)n1nccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	432644176	QRMQNSOBQQQRAS-UHFFFAOYSA-N	402.498	5.142	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cccc(OCC(F)(F)F)c1	432675591	BXWNQFCMBYHXMO-AWEZNQCLSA-N	408.445	5.203	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1	432845530	JIYXJEYGZCEAIQ-QFIPXVFZSA-N	416.550	5.931	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@H](CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	433899022	WEPBPYZTWLLLSU-CZUORRHYSA-N	408.386	5.697	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)c2ccccc2)c1	438036475	OBTBHOXGLNZFLC-ZEQRLZLVSA-N	409.489	5.221	30	20	HKED	
Cc1ccnc(Oc2cc(NC(=O)N[C@@H](CCC#N)c3ccccc3)ccc2C)c1	439382700	DJRFLABASYRFQM-NRFANRHFSA-N	400.482	5.657	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1	439664548	VJJQTKUZCYWKOK-FQEVSTJZSA-N	411.933	5.490	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1	444906702	NKEYRHYXWYLYBM-OXQOHEQNSA-N	413.974	6.493	30	20	HKED	
C[C@H]1c2ccccc2CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1	461519629	MYMLGXYUGPPXPN-KRWDZBQOSA-N	411.534	5.050	30	20	HKED	
CC[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N	461875441	HPFHNFOKJZYTCJ-OALUTQOASA-N	408.571	5.071	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCc1ncc(-c2ccccc2Br)o1	462552558	CWDOXCAGGVLCEL-UHFFFAOYSA-N	419.662	5.217	30	20	HKED	
COc1ccc(-n2c(SCCC(C)(C)C#N)nnc2-c2ccccc2Cl)cc1	463040958	XAVHZOUTVJLCDT-UHFFFAOYSA-N	412.946	5.628	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSC[C@@H]1CCC2(CCCCC2)O1	466737461	FVXMYLQVJMNECY-ROUUACIJSA-N	418.628	5.492	30	20	HKED	
COc1ccccc1[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)OC(C)C	471575790	VVULQLSBFHEIQS-VWLOTQADSA-N	414.505	5.130	30	20	HKED	
C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N(CCC#N)Cc3ccccn3)c2)C1	473788287	JZAPOYYIQQMCNH-WMZHIEFXSA-N	406.530	5.125	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)oc2ccc(Br)cc12	474433858	QWNQDOYWWPWYBY-CYBMUJFWSA-N	403.301	5.574	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)NCc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1	475122850	WMORKNDVKMIWAI-CYBMUJFWSA-N	410.930	5.204	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1	475160124	AMEMHVTWACWZOL-AWEZNQCLSA-N	422.381	5.458	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1	476165652	VGHJPAMOMCGIOE-UHFFFAOYSA-N	412.533	6.352	30	20	HKED	
Cc1nc(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)sc1C	478169327	KYWMOLLFAKLHPI-UHFFFAOYSA-N	411.914	5.050	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C	479660467	MOXBOXHUTNFYRR-KRWDZBQOSA-N	402.498	5.060	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N3Cc4ccccc4C4(CC4)C3)c2)cc1	480386596	SDDGWFBUMFPFEJ-UHFFFAOYSA-N	423.516	5.411	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccc(F)c(F)c1	480559291	UESYWVWWFHHZCT-QFIPXVFZSA-N	409.436	5.378	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2ccccc2n1C(F)F	481083022	XRPAWEYFLLCBMN-CYBMUJFWSA-N	407.511	5.188	30	20	HKED	
Cc1cc(Br)cc2c(C(=O)[C@H](C#N)c3nccc4ccccc34)coc12	483201798	OYNUOBQZMKBVIF-QGZVFWFLSA-N	405.251	5.542	30	20	HKED	
N#Cc1cccc(CNc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c1	486149897	GYZPZNDZVTXIFG-UHFFFAOYSA-N	413.374	5.581	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)c2sc3ccccc3c2Br)c1	487598121	SIOIBJFCAPGFEU-UHFFFAOYSA-N	412.312	5.362	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CSc3ccc(Br)cc32)cc1	487863939	WBLWOSYSXYCGMP-MRXNPFEDSA-N	416.344	5.219	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1	488352535	OFLMQRUKQLNDSF-LURJTMIESA-N	401.307	5.203	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(OC2CCCC2)cc1	490167252	HMGSDIRMMIYOGJ-UHFFFAOYSA-N	410.562	5.073	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccccc1-c1nc2ccccc2s1	495134866	CZEXWYHDMPILRW-UHFFFAOYSA-N	402.479	5.504	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1)C(=O)N(C)CCC#N	495593458	QMIABIVNSSYTEU-GFCCVEGCSA-N	410.276	5.097	30	20	HKED	
CC1=C[C@H](C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1	496335125	ZRIQCKWWYPQTET-LBPRGKRZSA-N	420.460	5.054	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(F)c4ccccc4c3)n2)cc1	497366460	SQAZAZZKYJLVJI-IBGZPJMESA-N	402.450	5.601	30	20	HKED	
Cc1c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1CC(C)C	499587259	DEHLBHXQWGLQLT-UHFFFAOYSA-N	417.513	5.137	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	499741449	HJLAKTHRLIKZHR-YKSBVNFPSA-N	412.574	5.084	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(-c2cccc(Cl)c2)no1	499781497	OBLNSSFLUNQWFX-UHFFFAOYSA-N	405.866	5.847	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc([C@H]4CCCOC4)c3)n2)cc1	500447724	AOEQTYYHAPUGTD-SFTDATJTSA-N	402.519	5.503	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F)c1cccc(Cl)c1Cl	505345789	UJKRTQXDHSXDPI-GUTXKFCHSA-N	411.235	5.079	30	20	HKED	
N#CCc1cccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1	505435902	ALAXBQZZMOJFQX-UHFFFAOYSA-N	414.852	5.394	30	20	HKED	
Fc1ccccc1-c1cnc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)o1	505841554	XAQUIIBKWZLNLZ-KRWDZBQOSA-N	418.312	5.893	30	20	HKED	
Fc1cc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2c(c1)COCO2	505863813	WVBOVHIZXZJLCC-INIZCTEOSA-N	409.301	5.104	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1	506677329	GOWPNBIFSIZSOT-UHFFFAOYSA-N	415.493	5.168	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Cc1ccccc1Cl	513808299	QLRPFMRHBFWDQQ-MRXNPFEDSA-N	405.885	5.525	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCCc3occc32)cc1	514037866	LIUHVSGQALUKBJ-JOCHJYFZSA-N	403.457	5.080	30	20	HKED	
CCN(C(=O)c1cc(C)nc2cc(Br)ccc12)[C@H](C)c1ccc(C#N)cc1	515700871	BRGXUQXPYIEHFR-OAHLLOKOSA-N	422.326	5.401	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	518260017	SNCUKQMDUQPCQV-INIZCTEOSA-N	419.554	5.369	30	20	HKED	
C[C@@H](SCCOc1ccccc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1	518484271	PFRNHYCASZOYIS-CYBMUJFWSA-N	423.519	5.402	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Br	518739184	SDKBNZSRAOGJQZ-GFCCVEGCSA-N	405.317	5.104	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccccc2s1	518904719	ZVXDDAUFMSBZHP-UHFFFAOYSA-N	400.463	5.022	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C	519513045	CDIHTIKALCBPGB-GOSISDBHSA-N	416.550	5.449	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)cc2)cc1	520315956	UFSHLEGSXXPVDD-UHFFFAOYSA-N	411.461	5.072	30	20	HKED	
CC(C)Cc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cs1	520837266	PQKRYKDNPOCFGX-UHFFFAOYSA-N	413.490	5.618	30	20	HKED	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1	521016179	OLAHEJZFAVXGCZ-DNVCBOLYSA-N	404.432	5.286	30	20	HKED	
CCSc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	521261370	REBNDWCBZYAEND-CYBMUJFWSA-N	400.475	5.690	30	20	HKED	
CCCC(=O)Nc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	521810785	DJKTXQOSLLDOFH-MRXNPFEDSA-N	410.543	5.141	30	20	HKED	
COCc1cccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1	522572341	QOEUUKSSQRFERG-UHFFFAOYSA-N	406.869	5.080	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2cc(Br)ccc2n1	523380803	UONUQFUOLLGYEI-UHFFFAOYSA-N	422.326	5.228	30	20	HKED	
CC[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	524234818	RXMALSVZEBSKJS-IBGZPJMESA-N	405.285	5.059	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3C(F)(F)F)o2)cc1	524388243	RMECCTKOFMJJCG-UHFFFAOYSA-N	404.319	5.140	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(C(F)(F)F)cc1	534260472	GSKWIDMKVVNAPE-BBRMVZONSA-N	409.456	5.015	30	20	HKED	
C=C(C)[C@@H](CC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1)OCC	534486080	FVKOVGDHQSHJMQ-GOSISDBHSA-N	422.575	5.978	30	20	HKED	
CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	537495282	MRAOKDJQCGYMAY-LEWJYISDSA-N	408.567	5.174	30	20	HKED	
CC1CCN(CCc2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)CC1	537672295	WICSZQDRLRGFJQ-UHFFFAOYSA-N	418.585	5.275	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc(CC#N)cc2)C2CCCCC2)cc1OC	538777708	MTORZYSZYLPQMI-UHFFFAOYSA-N	407.514	5.137	30	20	HKED	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1	542906467	ALOZQMGHNBMZDB-MRXNPFEDSA-N	421.312	5.077	30	20	HKED	
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1	542962287	PRRAQSMETLXBDM-LJQANCHMSA-N	405.889	5.075	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cc1	545394246	DHSLECLQDOBFQY-KRWDZBQOSA-N	424.928	5.002	30	20	HKED	
N#Cc1ccccc1OCc1ccc(-c2nc(-c3ccccc3OC(F)F)no2)o1	546325852	NUMULBYCPNYZMI-UHFFFAOYSA-N	409.348	5.049	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1	546710500	LXTVAISIUONCDF-UHFFFAOYSA-N	413.408	5.280	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccc(C)s1	549254319	ZILWYSNTVWBKBX-SFTDATJTSA-N	408.571	5.106	30	20	HKED	
Cc1cc(Br)cc(Cl)c1NC(=O)c1cc(-c2cccc(C#N)c2)no1	566542461	ARYAFBSREMSOFG-UHFFFAOYSA-N	416.662	5.190	30	20	HKED	
Cc1c(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)sc2ccc(C#N)cc12	574138760	NNSHLXXTOVCDJR-UHFFFAOYSA-N	409.474	5.043	30	20	HKED	
CC(C)(C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1)c1cc(F)cc(C#N)c1	574816424	KZPFCZLXOQFIAM-UHFFFAOYSA-N	404.407	5.185	30	20	HKED	
Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	578286075	FDFPETGBNPOUPC-SFHVURJKSA-N	400.482	5.587	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c1	591191509	YHPPLRDMSMXUJZ-UHFFFAOYSA-N	400.478	5.170	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccs3)o2)nc2cc(Cl)ccc2c1=O	597125563	CETCXROYUXWJML-UHFFFAOYSA-N	415.927	5.245	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cccnc3Sc3ccccc3)n2)cc1	602743534	RMYJCKHYYNSORC-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1	603948831	NYRRYLWCTDTGKH-HNNXBMFYSA-N	409.555	5.372	30	20	HKED	
COc1ccc(C2(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCCC2)cc1	604504198	UKSBVMVEKNCDMZ-UHFFFAOYSA-N	413.477	5.205	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208867	OEGRYOVGEGRTCV-QHCPKHFHSA-N	413.477	5.728	30	20	HKED	
CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1	609426886	SQOGEVJNTKSGRI-UHFFFAOYSA-N	413.477	5.085	30	20	HKED	
C[C@]1(C#N)CCCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1	612405598	AXYJASNYLNGQRA-OAQYLSRUSA-N	402.325	5.371	30	20	HKED	
N#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)c(F)c1	612536574	YERGYBMCVRGEKS-MRXNPFEDSA-N	401.201	5.243	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1Cc2cccc(Br)c2C1	613769047	BNIKKCZLRCGTBT-ZDUSSCGKSA-N	416.344	5.249	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCOC[C@@H]3c3ccco3)cc2Cl)cc1	614150351	UIBCZWMREIIREN-LJQANCHMSA-N	423.856	5.202	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(Br)c(Cl)c1	615759269	LEKWHYCPWNACFT-LBPRGKRZSA-N	423.763	5.678	30	20	HKED	
C=CCN(C(=O)c1ccc(N(C)c2ccccc2)nc1)c1nc2c(s1)CCCC2	643114932	KJCRJPMPVPNWHZ-UHFFFAOYSA-N	404.539	5.018	30	20	HKED	
Fc1cc(C(F)(F)F)c(F)cc1CN1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	672544613	DCJJUXUDXJGLOL-DTORHVGOSA-N	401.219	5.156	30	20	HKED	
O=C(c1sc2cc(F)ccc2c1Cl)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674445643	UJCOUEZPYDHECO-IUCAKERBSA-N	419.749	5.507	30	20	HKED	
Fc1ccc(Cn2cc(CN[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)cc1	681971318	HMYMIKMETJVQLS-QLPKVWCKSA-N	423.376	5.070	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccccc1CNC(=S)Nc1ccc(C#N)c(Cl)c1	726462073	CNRFDKFAPOIAOE-MRXNPFEDSA-N	412.990	5.073	30	20	HKED	
Cc1cccc2[nH]cc(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c12	729069399	JRSNXFKQMZYLFH-HXUWFJFHSA-N	423.472	5.159	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1	730990061	RJGWLXIAMAGPTL-UEIJICEPSA-N	422.550	6.318	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)CCCCOc2ccc(Br)cc2)cc1	731189419	YUEVYRFZGYMOEK-UHFFFAOYSA-N	415.331	5.254	30	20	HKED	
CC(C)n1cc(/C=C2\CC(c3ccccc3)C/C(=C\c3cnn(C(C)C)c3)C2=O)cn1	732714186	TWIXDPZWUCGLAG-JTZQCBLNSA-N	414.553	5.855	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(Oc2ccc(C)cn2)cc1	733323617	LOXMVPRDRNHAGT-GOSISDBHSA-N	407.539	5.259	30	20	HKED	
CN(C(=O)CSCc1cc(Cl)ccc1OCC#N)[C@@H]1CCCc2ccccc21	735319945	GALWVBIAAPLILP-HXUWFJFHSA-N	414.958	5.012	30	20	HKED	
O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1)c1ccc2c(c1)COC2	742437000	PQONGEKYDQOQET-CBIKUMSCSA-N	422.480	5.539	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)c1	742679648	YZQXULXPFSUGPJ-JVVYVMHDSA-N	402.416	5.106	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)c3cc(-c4ccccc4)ccc3Cl)o2)c1	745007941	ZDCFNFCHDMXSCJ-UHFFFAOYSA-N	415.836	5.286	30	20	HKED	
C=CC[C@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccncc1	745827174	HCYLVEYBCHUORI-FQEVSTJZSA-N	409.436	5.269	30	20	HKED	
CCCOc1ccc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)c(OCCC)c1	748585510	ZVMYMCHXADFLGX-XYOKQWHBSA-N	409.482	5.117	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)s1	750689291	ZVDPIOFQVVEFPP-MFKMUULPSA-N	407.347	6.158	30	20	HKED	
C#CC[C@@H](NC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl)c1ccccc1	757779958	ZAXLRQZVVGSRCZ-UXHICEINSA-N	412.965	5.112	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccccc3Oc3cccc(F)c3)CCO2)c1	761840420	YLAHPAJCLONPKG-QHCPKHFHSA-N	417.440	5.095	30	20	HKED	
N#CCOc1ccc(CC(=O)OCc2cc(Cl)c(C(F)(F)F)c(Cl)c2)cc1	764941535	AGLMYIBTABLGAI-UHFFFAOYSA-N	418.198	5.200	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1	767137253	JZWSDTNKVSSGGF-LJQANCHMSA-N	416.443	5.142	30	20	HKED	
O=C(C=C1CCSCC1)C(c1nc2ccccc2s1)c1nc2ccccc2s1	772639592	WVWUWUCDAZCYGY-UHFFFAOYSA-N	422.600	6.060	30	20	HKED	
Cc1c([C@@H](C)NCc2ccc(OCC#N)cc2)cnn1-c1ccc(Cl)cc1Cl	772957554	FWQSPNKCGSWVKC-CQSZACIVSA-N	415.324	5.241	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2cn(C)c3ccccc23)cc1	773978072	QYKBNMZGQBHXDE-CSODHUTKSA-N	401.510	5.143	30	20	HKED	
CC(=O)[C@@H](C)CCCCC(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F	774273216	QMOWMTYBHNGZFK-QMMMGPOBSA-N	402.306	5.091	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1	777149424	NLTLHUHRMGGQNG-UHFFFAOYSA-N	402.519	5.268	30	20	HKED	
COc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c12	779195678	ZUDMZEHQSOEOPU-KRWDZBQOSA-N	401.491	5.027	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	779713139	PDFLIPPWTAXEMR-RYUDHWBXSA-N	411.811	5.089	30	20	HKED	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	782773981	QCWZKRCSGRXXBQ-GOSISDBHSA-N	410.587	5.447	30	20	HKED	
COC(=O)[C@@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1C(F)(F)F	782898161	GCMCKRJCUTYAJE-IRLDBZIGSA-N	424.422	5.687	30	20	HKED	
N#CCOc1cccc(/C=C/C(=O)c2ccc(Br)cc2C(F)(F)F)c1	790226997	CGYRDJHCGPLFRE-QPJJXVBHSA-N	410.189	5.266	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1cnc2ccccc2n1	792099589	DQFXCGNHHXXEMI-KAMXEHQASA-N	415.905	5.901	30	20	HKED	
CSc1ccc(CSCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	794525119	TWKNMLPYWIULAZ-GOSISDBHSA-N	410.589	5.642	30	20	HKED	
Cc1sc2ncn(N=C/C=C\c3ccc(F)c(F)c3)c(=O)c2c1-c1ccccc1	794871706	MVTPGUWAHAUZOB-RAAKLUBESA-N	407.445	5.259	30	20	HKED	
CC(C)n1ncc2cc(/C=C3\CCc4nn(-c5ccccc5)cc4C3=O)c(Cl)nc21	794952814	JFYKZHFWKXZXMF-XNTDXEJSSA-N	417.900	5.064	30	20	HKED	
N#C[C@H](C(=O)Cc1csc2ccc(Br)cc12)c1nc2ccccc2o1	796653373	HCYJYINARQMVGK-CQSZACIVSA-N	411.280	5.224	30	20	HKED	
C[C@H](Cn1ccc2ccccc21)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	796888050	JWQNLIHFCGGSGX-UZLBHIALSA-N	410.502	5.149	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c(Br)c1	797567303	GGTCGDSWEGLUHV-OLZOCXBDSA-N	421.360	5.155	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)s1	797569898	ZGUUDUVKIQXUJB-ARFHVFGLSA-N	421.591	5.977	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C(F)(F)F)c(C#N)n2)cc1	799943352	NYLKIPWIKWQMKI-ZDUSSCGKSA-N	420.435	5.170	30	20	HKED	
Cc1nc([C@@H](C)OC(=O)c2cc(C#N)ccc2Cl)oc1-c1ccc(Cl)cc1	803834913	XBETWAPGNZTWHX-GFCCVEGCSA-N	401.249	5.747	30	20	HKED	
COc1ccc([C@H](Cc2ccccc2)NCc2cc(Cl)ccc2OCC#N)cc1	810076002	RWIAQCXKMSVLOJ-QHCPKHFHSA-N	406.913	5.325	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1	810263588	QLCYHOXQRFSHEU-GOTSBHOMSA-N	405.542	5.181	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccccc1	814313924	QUOJQEJBJXEVRY-AVRDEDQJSA-N	407.514	5.101	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1	815009723	BNNPEAZNQAWENV-OSMLLJOWSA-N	418.537	5.035	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3nc(Cl)sc3Cl)c2)c1	816870546	FLIIQYSNUVMKON-UHFFFAOYSA-N	404.278	5.153	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)OCc1csc(COc2ccc(Cl)cc2)n1	818644953	BOCARLCDEQKLCQ-YHYXMXQVSA-N	410.882	5.004	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1	915863222	VSUCEKCHUDMROT-OAQYLSRUSA-N	410.395	5.422	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1	916681510	RYVVBQUNVNSTCK-XMMPIXPASA-N	415.924	6.192	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(Cc3ccccc3)c2)cc1	916708398	XEEBPBJAESEBIW-DEOSSOPVSA-N	407.477	5.231	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1	916953128	ROHMYUBSHNORCM-QGZVFWFLSA-N	410.882	5.038	30	20	HKED	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976542	RYPPQHVLGGLOTC-VLIAUNLRSA-N	422.937	5.596	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(C)c(F)c2)c1	11083120	CIUFFNFAXZLYBL-UHFFFAOYSA-O	421.561	5.904	30	20	HKED	
C=CCN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1nc2c(s1)CCCC2	23116604	STYGEVHUKRQQCS-UHFFFAOYSA-N	421.570	5.058	30	20	HKED	
N#Cc1cccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1	47358942	FBYYYKJUYKDLSS-UHFFFAOYSA-N	411.511	5.792	30	20	HKED	
CN(C/C(O)=N/c1nc(-c2ccco2)cs1)C[C@@H]1CCCO[C@@H]1c1ccccc1	51132148	SNEXEHHZONWXGI-LAUBAEHRSA-N	411.527	5.091	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1	61015052	LTLDXSQMRGWRCG-UHFFFAOYSA-N	424.548	5.025	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl	65546001	CGMYLXWLZDRDOC-UHFFFAOYSA-N	412.276	5.325	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)NCCOc1ccc(C(F)(F)F)cc1	71933744	RINNCMDAPPVHGQ-UHFFFAOYSA-N	410.395	5.053	30	20	HKED	
C=CCN(C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1)c1nc(-c2ccccc2)cs1	106196759	ODGAALHNHPKXTJ-JXFKEZNVSA-N	417.534	5.237	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1Cc1ccccn1	303344738	MIEKWMKFXZATQJ-KRWDZBQOSA-N	404.539	5.195	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cc(Br)ccc1Br	410346311	VLXHJVDUVHQFQV-UHFFFAOYSA-N	409.121	5.583	30	20	HKED	
CSC[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	432872986	PPHAHWNIGDUSAF-FQEVSTJZSA-N	409.555	5.053	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]1c1nc2ccccc2s1	433948905	OCTVBTHAQSXWNQ-QFBILLFUSA-N	411.596	5.098	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1C#N	435562928	AWFSZJWZTOSUBY-UHFFFAOYSA-N	408.889	5.070	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c1	437424373	FGLBJGGGOLXVKI-KESTWPANSA-N	416.443	5.189	30	20	HKED	
C=CC[C@H]1N(C(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)CCCC1(C)C	444631351	LGPGUCWKVLMONX-HXUWFJFHSA-N	416.924	5.336	30	20	HKED	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	446875162	ZEUCFLMDUYGFCK-FQEVSTJZSA-N	403.448	5.480	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)c1	460545243	HJPVKCLBNQHRLH-UHFFFAOYSA-N	416.443	5.322	30	20	HKED	
CC(C)c1ccc([C@H]2CCCCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1	462097972	NWRKEVMDDTYKTR-JOCHJYFZSA-N	414.513	5.021	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(=Cc3ccccc3F)CC2)o1	465094946	OORDZKJVYQEMDU-UHFFFAOYSA-N	416.452	5.189	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCc3c(O)cccc32)cc1Cl	466101856	QXLFKWIJDIIPIL-IRLDBZIGSA-N	417.896	5.510	30	20	HKED	
C=CCn1c(SCc2c(CC)noc2C)nnc1-c1ccc(Br)cc1	466148524	RYAKLYAHZCMXTP-UHFFFAOYSA-N	419.348	5.045	30	20	HKED	
Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c(C(F)(F)F)o1	471728408	UQQZUAVINXXJOY-UHFFFAOYSA-N	402.397	5.558	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)cc1Cl	473778735	MPDGSKAJAXHURH-YVNJGZBMSA-N	409.917	5.075	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1	475565983	YNLKSSQOPYUOGC-SFHVURJKSA-N	414.575	5.170	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(Cc2ccccc2F)s1)c1nc(-c2ccccc2)cs1	478091682	ZZWWMKBTPXJKOS-INIZCTEOSA-N	419.506	5.487	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)ccc1Br	478990470	QSQZFXGOVQGMTN-UHFFFAOYSA-N	405.340	5.145	30	20	HKED	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1	480286032	HCCLBVMRURWZSN-MRXNPFEDSA-N	419.456	5.168	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F	482321728	GWGJMPQCKZFHGD-MRXNPFEDSA-N	418.868	5.411	30	20	HKED	
N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cnc2ccccc2n1	483205182	USHMCUFXECSZPM-HXUWFJFHSA-N	418.431	5.474	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1csc(-c2ccccc2)n1	483321592	GFUZFJMMYUVWIS-MRXNPFEDSA-N	422.579	5.569	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1	485749335	CQRCBFTXJMIJBU-UHFFFAOYSA-N	423.582	5.032	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1	487162431	QSMGYTXCUZSKEJ-UHFFFAOYSA-N	416.959	5.150	30	20	HKED	
C=CC[C@H](C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1	489014987	PSTGAMONHPFNOX-FQEVSTJZSA-N	404.897	5.891	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(Br)c(C(=O)OC)c1C	489648435	VMOAQFXNJUVGOO-UHFFFAOYSA-N	420.328	5.075	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccccc1	489804551	BCDMGMJWQQOMOY-QFIPXVFZSA-N	403.482	5.290	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)c1ccc(Br)cc1	499375708	RPGZPPYDNDGDJO-UONOGXRCSA-N	403.345	5.443	30	20	HKED	
C=CCOc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1	501181257	ZETFMEGDFTWGLZ-UHFFFAOYSA-N	401.388	5.017	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(COC(C)C)cc2)cc1C	501188181	SUGYAHHJUZLTKX-UHFFFAOYSA-N	416.525	5.258	30	20	HKED	
C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1	502088216	APIHBDBNUXRTFQ-IQGLISFBSA-N	411.505	5.033	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)nn1-c1cccc(C#N)c1	503082218	AFJHWGZCTQPUAA-IBGZPJMESA-N	422.488	5.445	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C	503371598	SUNVSMZPLWALIY-MCFFVMPBSA-N	413.974	5.198	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](c2ccccc2OC)C1	508909270	YPXVXHNYMZLKMP-IBGZPJMESA-N	420.582	5.067	30	20	HKED	
C=CCC[C@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccc(C(F)(F)F)cc1	509189197	BHVVGEKEWKMUTJ-KRWDZBQOSA-N	408.464	5.747	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1F	510036351	SILJCQNQILNZII-UHFFFAOYSA-N	405.404	5.219	30	20	HKED	
C[C@@H](NC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccccc1Cl	510218913	WHRPIKNVZSRXKL-OAHLLOKOSA-N	407.926	5.243	30	20	HKED	
COc1cccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1F	510812259	IVKSSTPFYUZUAE-UHFFFAOYSA-N	418.468	5.165	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1	512542544	QPUALQOTMCFHLW-KRWDZBQOSA-N	413.953	5.231	30	20	HKED	
Cc1oc(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	513263076	PNICFZNNYVUZLG-AWEZNQCLSA-N	421.428	5.542	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1	513672711	UDRWGFUMUGRZKS-LJQANCHMSA-N	420.497	5.639	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1Cl	514465710	BQDIPOWSVARNMZ-GPMSIDNRSA-N	420.862	6.303	30	20	HKED	
C[C@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1sc2c(c1C#N)CCCCC2	514766850	LNZYQSJPGFDBNK-AOMKIAJQSA-N	419.550	5.188	30	20	HKED	
O=C(CSCc1cc(F)c(C(F)(F)F)cc1F)N1CCC[C@H](C(F)(F)F)C1	514812697	PCFWBAWQMNOZFP-JTQLQIEISA-N	421.353	5.018	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)c2C#N)C1	517154742	ZSIJMIHERQYNTO-LBPRGKRZSA-N	411.914	5.234	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	524387767	WKACSBCJEZAHDH-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)C1CC1	532811570	OVCRQDOFBYZGLO-AWEZNQCLSA-N	403.404	5.654	30	20	HKED	
CCOc1ccc(F)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1F	534773186	VUZINRGIYJUDTQ-UHFFFAOYSA-N	410.445	5.639	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	537061501	OCBXQFGNXDCHGF-ZWKOTPCHSA-N	411.571	5.015	30	20	HKED	
C=CCN(C(=O)[C@H](C)CCCOC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	537586436	LCEFZAXZZUHOIY-CYBMUJFWSA-N	413.370	5.699	30	20	HKED	
COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	538297861	CKNLAEFYESBZLM-UHFFFAOYSA-N	420.490	5.342	30	20	HKED	
CSc1ccc(C)c(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1	540552038	XXHNARPHKFQWDT-UHFFFAOYSA-N	416.506	5.485	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1	552239176	MIDWNGJNQKHYSI-UHFFFAOYSA-N	412.424	5.313	30	20	HKED	
N#CC[C@@H](Cc1nc(Cc2c[nH]c3cc(Br)ccc23)no1)c1ccccc1	563918431	OBHWPKAJWMZXJI-HNNXBMFYSA-N	421.298	5.144	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)cc1	565627619	WDGLSFVYUAKRIK-QFIPXVFZSA-N	424.504	5.019	30	20	HKED	
N#C[C@H](C(=O)c1csc(C(F)(F)F)n1)c1nc(-c2ccc(Cl)cc2)cs1	580295798	OOSSRIMJFHQTDU-SNVBAGLBSA-N	413.833	5.429	30	20	HKED	
C=CCC(C)(C)c1noc([C@@H]2CCC(=O)N(CCCC)[C@@H]2c2ccc(OC)cc2)n1	584009119	ZKONFDLEMICBKZ-TZIWHRDSSA-N	411.546	5.179	30	20	HKED	
C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C)(C#N)CC1	584066347	QHVSRARSMGYOQJ-UHFFFAOYSA-N	411.962	5.519	30	20	HKED	
CN(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1	588860656	VVCILOWXCFZVGW-DTORHVGOSA-N	421.288	5.201	30	20	HKED	
Cc1ccccc1-c1cc(C(=O)Nc2sccc2C#N)c2cnn(C(C)C)c2n1	590613817	UVKYOTQUUWDUAB-UHFFFAOYSA-N	401.495	5.173	30	20	HKED	
N#CCCCOc1cccc(NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1	604008821	KMZCQQSWFVYRSL-UHFFFAOYSA-N	423.900	5.011	30	20	HKED	
CCSCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	604228448	WRLZPNFUCWGELN-OAHLLOKOSA-N	420.481	6.058	30	20	HKED	
COc1ccc2c(c1)c(C(=O)[C@H](C#N)c1nc(C)cs1)c(C)n2Cc1ccccc1	606753876	OQKLFFGESWEERC-FQEVSTJZSA-N	415.518	5.262	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)c2)cc1	609129040	DEOJCDJZJVDAMP-JOCHJYFZSA-N	421.500	5.852	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)c2cc3ccccc3n2CC#N)cc1	609166245	MWDDRMMZROPGNO-UHFFFAOYSA-N	409.489	5.016	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	609208215	JCNGAZVCGSESRO-KRWDZBQOSA-N	422.485	5.029	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(Cc3cccc(F)c3)C3CCCC3)cc2)nc1	609499592	SWXXZKFHFQQPBX-UHFFFAOYSA-N	415.468	5.470	30	20	HKED	
COc1ccccc1-c1nc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cs1	609589267	TZGTYCZSASQBCA-CQSZACIVSA-N	418.305	5.120	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1	610095261	MHWNAZWUYATMAS-HOTGVXAUSA-N	406.511	5.476	30	20	HKED	
C[C@@H](NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl)c1cccc(C#N)c1	610359159	GJUQNNCBTIMABS-OAHLLOKOSA-N	406.917	5.321	30	20	HKED	
CC(C)(C#N)CCCC[S@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	618129633	VSZRQSHMKXJDON-SANMLTNESA-N	408.394	6.552	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)s2)cc1	618812699	WVPUELXPUDXBPD-IIBYNOLFSA-N	416.550	5.346	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	619508213	PFNWQGOFKZKAJQ-RKVPGOIHSA-N	404.398	5.825	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccco4)s3)n2)cc1	675920632	UKCHVHGDCDISPL-OAHLLOKOSA-N	406.488	5.630	30	20	HKED	
Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1	679979024	CZOXGPDGJHJRBI-LJQANCHMSA-N	414.461	5.465	30	20	HKED	
CN(C(=O)[C@H]1Cc2ccc(F)cc21)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	684637776	WVXNILLSGZMYNN-HOTGVXAUSA-N	405.313	5.246	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2nc(-c3ccsc3)oc2C)cc1	727037974	AXJPJWDTYPOQJG-LIRRHRJNSA-N	421.522	5.115	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccsc3)n2)Cc2c(F)cc(Br)cc21	727780946	XCXXBNWMTVQVQL-XCVCLJGOSA-N	406.301	5.596	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ccc(O[C@@H](C)C#N)cc1	728698052	LAGUQTMTSQMXFS-VDFGQWLZSA-N	408.910	5.959	30	20	HKED	
N#C[C@H](C(=O)[C@H](Oc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730416214	BUOAEIAGUIVKDM-XMSQKQJNSA-N	402.450	5.432	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	730471059	KTFAFBPLHDOQTJ-UHFFFAOYSA-N	411.477	5.097	30	20	HKED	
CCc1ccccc1O[C@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccccc1	730687477	XIIFMZCRGXEYHD-AMGIVPHBSA-N	406.485	5.794	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F	731409973	BDJKXIQSVAIRGK-VQIMIIECSA-N	402.425	5.069	30	20	HKED	
CCCC[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cc(C)on1	732919813	XZVJPSGWTZJASP-QFIPXVFZSA-N	418.497	5.043	30	20	HKED	
N#C[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1	733621978	IUYNNWPQHVVSQG-FKVZDPJESA-N	416.296	5.258	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2)c1	733851720	IRLZSSDBKNLIRX-XMMPIXPASA-N	413.521	5.280	30	20	HKED	
C=CC[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccncc1	734455601	ILFOIUDNFCCZNJ-SFHVURJKSA-N	417.456	5.200	30	20	HKED	
C=CC[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1	734457043	FSUSHQPXBIQQFI-CHYADLBTSA-N	414.349	5.566	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccncc1	734667712	MVSYUSWQYRALSY-AZUAARDMSA-N	422.529	5.338	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(Nc3ccccc3)c2)ccc1OC	735658369	DRBWERPIYHHKOV-JOCHJYFZSA-N	415.493	5.050	30	20	HKED	
O=C(C=NOCc1csc(C2CCCCC2)n1)Nc1ccccc1Br	744179537	YURWAPGJUXPJAE-UHFFFAOYSA-N	422.348	5.094	30	20	HKED	
C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nc(Cc2ccccc2)no1	744516892	SMLWGPSKXAPWHV-KRWDZBQOSA-N	409.445	5.117	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)NCCc1ccccc1	745723707	FLMYLDCCEUTZSE-UHFFFAOYSA-N	403.526	5.130	30	20	HKED	
CCCN(Cc1ccccc1Br)C(=O)c1ccccc1SCC#N	745844337	RGKVOXACPDGGCP-UHFFFAOYSA-N	403.345	5.117	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)nc3Cl)c2C#N)C1	747625720	BRJFJWFFXAPNKA-SNVBAGLBSA-N	408.354	5.725	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)c2ccccc2OCC#N)C(C)C)s1	748208774	QKAJQDGNKDRXEU-UHFFFAOYSA-N	404.535	5.677	30	20	HKED	
CC(C)Oc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	749047686	GQCOXBSIZSYKDA-GOSISDBHSA-N	410.926	5.670	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1-c1ccc(F)cc1	750396620	CGASUSWAOMRMBE-HNNXBMFYSA-N	409.873	5.584	30	20	HKED	
COc1cccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	753397622	OWVGLVSQQOOUSJ-CZUORRHYSA-N	412.461	5.467	30	20	HKED	
COc1ccc(CCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OC)c1	753967486	CRZVVEDOAITOAK-DEOSSOPVSA-N	414.505	5.321	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(F)cc(C(F)(F)F)c1	756232585	UYTQWTZVBRESAN-LBPRGKRZSA-N	419.161	5.112	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2CCC(F)(F)F)c(C)n1-c1ccc(C#N)cc1	757013993	HPNLTDJNNRUZQZ-UHFFFAOYSA-N	411.427	5.713	30	20	HKED	
CC(C)(O)c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	760867224	DQKFIYJVSBZLRX-UHFFFAOYSA-N	406.869	5.484	30	20	HKED	
CCCOc1c(Br)cc(/C=C/C(=O)c2c[nH]c3ncccc23)cc1OC	761812245	JNAVRLUYAKHOOP-VOTSOKGWSA-N	415.287	5.019	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccncc2)cc1F)c1ccc(N2CCOCC2)cc1Cl	762440311	XOVJJMCXVWXLPZ-ZZXKWVIFSA-N	422.887	5.274	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOC3(CCCCCC3)C2)cc1	764057326	ZGTJKMAZLXNYEB-QHCPKHFHSA-N	403.526	5.299	30	20	HKED	
CC(=O)N(c1nc(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)cs1)c1ccc(F)cc1F	766694850	GQZOZSHUIVCLIC-HVOBPNNYSA-N	424.472	5.798	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)cc1	766842038	PQMFXLINBJABNS-HRCADAONSA-N	412.436	5.516	30	20	HKED	
N#C[C@H]1C(CN2CCC[C@@H]2CCC2CCCCC2)=CC(=O)n2c1nc1ccccc12	767902017	KPVRZPHHFFETSN-RTWAWAEBSA-N	402.542	5.049	30	20	HKED	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1	768161255	VJVYVCNNKRTVIL-LJQANCHMSA-N	406.917	5.126	30	20	HKED	
CCOc1ccc(C=NOCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1OC	768512669	TVSLVCKCOUWCIY-UHFFFAOYSA-N	400.862	5.261	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1\CCc2nc(O)ccc2C1=O	769614584	KZSNOCMOBLZKSE-OBGWFSINSA-N	407.473	5.161	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@@H](C)c1ccc(Br)cc1	770528938	FMIRUWBZOAGXOJ-MRXNPFEDSA-N	422.326	5.078	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)ccc1OC	772986587	PBXJJSSMXIQRTO-YKSBVNFPSA-N	421.585	5.607	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3cc(Cl)ccc32)ccc1OC	775411933	YKZHHBBPTIMQRH-PKOBYXMFSA-N	400.906	5.033	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(SC2CCCC2)cc1	777117989	PYOPSLVDJXAPMW-GOSISDBHSA-N	421.610	5.727	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1	777302388	MVDDDDHNMHBXQF-MGPUTAFESA-N	424.928	5.021	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1	780148825	MTODAEUQYGEAGO-ZHRRBRCNSA-N	406.482	5.589	30	20	HKED	
CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc(Sc3ccccc3C#N)cc1)CCC2	781053683	JIRCUBNLFIMJPH-NRFANRHFSA-N	416.550	5.294	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1ncc(Br)cc1Br	783861656	FIKSKEFSXUCPIN-UHFFFAOYSA-N	424.014	5.038	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc3cc(Br)ccc3[nH]2)cc1	787184592	RFAKUALSKLFDCW-LWHXSLQUSA-N	402.679	5.353	30	20	HKED	
CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)cc2)cc1	792917647	OYDLTNKKRRCMGL-OVCLIPMQSA-N	403.453	5.003	30	20	HKED	
CCc1cc(C#N)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)s1	796594846	YKMOHAPGMLILIM-UHFFFAOYSA-N	411.527	5.122	30	20	HKED	
C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	805858068	NCLZRZYKYRYGID-KDOFPFPSSA-N	404.420	5.035	30	20	HKED	
Brc1ccccc1NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1	812462453	NEZXRLXWLFGLBG-UHFFFAOYSA-N	418.298	5.143	30	20	HKED	
C=CCN(CC=C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	812581834	OKMUPKIPJUNQIZ-GOSISDBHSA-N	415.534	5.019	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(Br)c1	813060684	GXJJQQWIQLZGSA-YGRLFVJLSA-N	419.731	5.692	30	20	HKED	
N#C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1c(Cl)cccc1Cl	813123702	OTEKFVSPSHFZKV-LBPRGKRZSA-N	419.051	5.203	30	20	HKED	
N#CCCCCOC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	914618937	FHFMNAUHBXTMAE-UHFFFAOYSA-N	413.480	5.206	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)cc1	915124439	IPTAWDJVBIEVFW-HXUWFJFHSA-N	409.461	5.752	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1	915353741	QKAMENCHQBSMLG-VWLOTQADSA-N	411.480	5.802	30	20	HKED	
CCCC(=O)Nc1ccc(O)c(C(C)=NNc2ncc(C(F)(F)F)cc2Cl)c1	916286419	CDHQWUGMMCXKJT-UHFFFAOYSA-N	414.815	5.034	30	20	HKED	
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)c1	916893995	IZFAJZHMWSZBHL-AWEZNQCLSA-N	419.289	5.178	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)c1	916895064	WKIIPEAUIZFLIA-OAHLLOKOSA-N	406.488	5.086	30	20	HKED	
CCCc1sc(C(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1CC	916901723	ONLHRESOGRFAHD-CQSZACIVSA-N	418.946	5.195	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2ccc(Cl)cc2)cc1	916948024	RCQWUMOTSJSCAJ-MGPUTAFESA-N	410.901	5.164	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)o2)cc1	917045355	YKGZGDMJMSBLAI-INIZCTEOSA-N	421.909	5.722	30	20	HKED	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1OC	917644158	AJOLBGUAKSJLKU-DEDYPNTBSA-N	424.547	5.152	30	20	HKED	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920140772	JNIVPHCIDLZEFB-NNHNJENNSA-N	421.566	5.335	30	20	HKED	
C[C@@H](Cc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	921136497	KHVZOLZPJPKPGF-SWLSCSKDSA-N	400.425	5.282	30	20	HKED	
Cc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1	1790707796	OYNGPGTZIAYSRE-UHFFFAOYSA-N	423.516	5.123	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)[nH]n1	1819553334	BEXRSAKVJMTBID-NRFANRHFSA-N	422.573	5.027	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C)c2)[nH]n1	1819555411	FUJSOZSCPVWUTC-HXUWFJFHSA-N	408.546	5.016	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccccc1	8573679	BZPJJZLPNWUBMX-RXVVDRJESA-N	420.582	5.269	30	20	HKED	
C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC	11330770	JNEQCFYLDOODEL-QPJJXVBHSA-N	409.226	5.197	30	20	HKED	
C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccc(C)c1	31616286	ZFJBYZHVNYGTEX-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
Cc1ccc(OC2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)cc1C	65473763	OAYAALPEOKJCQR-UHFFFAOYSA-N	407.514	5.038	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccccc1	208249991	ZQWQAHAJGQVWLO-QBFSEMIESA-N	419.452	5.138	30	20	HKED	
C=CCn1c(SCc2cc(Br)ccc2OC)nnc1-c1ccoc1C	248023124	MSBJDTOIODJZIF-UHFFFAOYSA-N	420.332	5.096	30	20	HKED	
COc1ccc(OCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	301759772	HIMCCDNUZLMAOU-SFHVURJKSA-N	412.898	5.117	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl	303347240	ZVODGHJXWOYKNE-UHFFFAOYSA-N	406.917	5.102	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F	410360151	QBCYCDLLIYPTCQ-UHFFFAOYSA-N	420.822	5.310	30	20	HKED	
CCCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1ccccc1C	429688243	BYGGAUPUSYSKOG-HXUWFJFHSA-N	401.514	5.300	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)[C@H]1OCCc2sccc21	429813294	QSBZVRJEIBLJHO-QMHKHESXSA-N	418.518	5.609	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc34)cc2)nc1	431152402	NJFGJSHHXIFWJT-BJKOFHAPSA-N	405.457	5.185	30	20	HKED	
COc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Br	433161618	KNXIGJWWWDSZJI-KRWDZBQOSA-N	402.292	5.014	30	20	HKED	
N#CCCn1cc(CN(Cc2ccccc2)Cc2ccccc2)c(-c2ccncc2)n1	434833007	IDEGORXLWMWXEC-UHFFFAOYSA-N	407.521	5.061	30	20	HKED	
Fc1ccccc1-c1nc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1	435035860	IQUYMRXKIYDYEF-UHFFFAOYSA-N	419.300	5.203	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2)s1	436151866	HYEDESZFLOIBGJ-SFTDATJTSA-N	402.523	5.038	30	20	HKED	
Cc1ccc(Br)cc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	439339000	HHMNJLWQABTRTD-AWEZNQCLSA-N	418.360	5.474	30	20	HKED	
O=C(CCC(F)(F)F)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	443871186	WXSUYOJAGSLTPV-UHFFFAOYSA-N	422.300	5.378	30	20	HKED	
O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N(CCC(F)(F)F)CC1CC1	446348913	AVWJOAFEPLFAGJ-CYBMUJFWSA-N	420.756	5.457	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C	446892895	QALCNMQKWAYKML-IBGZPJMESA-N	421.419	5.295	30	20	HKED	
CC(C)(C#N)c1ccccc1CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1	447327721	WCDVEDGEPPEILN-UHFFFAOYSA-N	418.459	5.182	30	20	HKED	
Cc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)sc1-c1cccc(Cl)c1	461303928	AASWZNYNNOBWQE-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
O=C(CCCc1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	471841588	YUDLQOBLTYLCNT-UHFFFAOYSA-N	421.303	5.371	30	20	HKED	
C=C(C)[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(F)c(F)c1	475689283	HWXJXOKUOQCANF-JOCHJYFZSA-N	416.855	5.639	30	20	HKED	
C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H](c2ccsc2)O1	478864220	AGDIIRKCQUEWBW-ZHRRBRCNSA-N	404.491	5.014	30	20	HKED	
CCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(OC)c(OC)c1	480722304	ORQZGEYGVDUKOZ-UHFFFAOYSA-N	418.518	5.393	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)CC1	480725651	FRRXEBOGZKDMFA-UHFFFAOYSA-N	403.309	5.338	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)NCC#Cc2ccccc2)nc1-c1ccccc1	481074739	RSNIMNYHEKERNX-JOCHJYFZSA-N	413.521	5.363	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C	481204326	CTHHGHPCDSKYBC-UHFFFAOYSA-N	420.962	5.506	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2cccnc12	482059011	FZEXFHKEJGWASX-PKOBYXMFSA-N	422.435	5.140	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1NC(=O)Nc1ccccc1	483236994	AGEIMXGPIPICPK-JOCHJYFZSA-N	420.472	5.677	30	20	HKED	
CCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1cccc(Cl)c1	485309682	KYRVPANCBQKGTP-UHFFFAOYSA-N	421.932	5.402	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1	489485274	LAZWDMGBHGXGQS-QHCPKHFHSA-N	405.542	5.086	30	20	HKED	
N#Cc1cccc(C2(NC(=O)N[C@@H]3CCOc4c(-c5ccccc5)cccc43)CC2)c1	490098951	DMCNDCURRDFWKE-HSZRJFAPSA-N	409.489	5.037	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	498297372	ZYJYKGKLVCSIFK-UHFFFAOYSA-N	412.555	5.263	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1	504693940	CKMZJDKZWKTSGK-UHFFFAOYSA-N	406.869	5.155	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)Cc1ccc(O)cc1	508172046	BNDDHGNYNATSHC-QGZVFWFLSA-N	401.466	5.117	30	20	HKED	
C=C(C)CCc1noc([C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)n1	508598162	FHYCRQSLHJOXQQ-ZJSXRUAMSA-N	401.510	5.226	30	20	HKED	
O=C(Nc1cccc(OCC(F)(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	509736599	SFRXPWGXCZFLJS-OAHLLOKOSA-N	424.316	5.582	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	510025300	BRNJMFMLYKOYPP-FYYLOGMGSA-N	419.912	5.505	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(CC)cc2)C2CC2)cc1	510993192	CAHGWDAUKCWPHU-UHFFFAOYSA-N	417.553	5.260	30	20	HKED	
N#CCCn1cc(C(=O)CN2CCC([C@H](F)c3ccccc3F)CC2)c2ccccc21	511087957	DHGLAFWXPMDHAP-VWLOTQADSA-N	421.491	5.300	30	20	HKED	
C[C@H](Sc1nc(N)c(C#N)cc1C#N)c1ncc(-c2ccc(Cl)cc2Cl)o1	512785832	PGZAEJZNRPGMAC-VIFPVBQESA-N	416.293	5.222	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(OC)c(Cl)c1	513291071	IORWNIYLKQFDNH-UHFFFAOYSA-N	419.909	5.137	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)nc1-c1ccccc1	513425638	ZBJBMADPJFFBSN-OAQYLSRUSA-N	417.484	5.382	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1	513655070	OXQZQCLWMQQDLV-SFHVURJKSA-N	418.909	5.448	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccccc1	514562940	LKSGUAJJUDRKOR-OAHLLOKOSA-N	421.501	5.482	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc2cc(Cl)ccc2s1	515539189	NQOKTIJQSBEUJK-QGZVFWFLSA-N	424.934	6.080	30	20	HKED	
C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccccc1Sc1ccccc1C#N	517649090	CIWGWGNOZSUXRW-PGRDOPGGSA-N	414.530	5.312	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(F)cc1F	521723801	YNFJVOAQIFRILF-ZIAGYGMSSA-N	406.523	5.649	30	20	HKED	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	522070463	UJEFPHLZCWNDBA-KRWDZBQOSA-N	412.518	5.316	30	20	HKED	
N#C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1c(Cl)cccc1Cl	522205785	MEZITYHRRMZFGD-CQSZACIVSA-N	424.740	5.570	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)CCc3ccc(C#N)cc3)s2)cc1	523496464	YRBFXMJOVIXHSY-SFHVURJKSA-N	403.551	5.451	30	20	HKED	
COc1ccccc1-c1nn(C)cc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	525348569	BUPSNJONLXZBDD-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
N#Cc1cccnc1OC1CCC(NCc2csc(-c3ccc(Cl)cc3)n2)CC1	525833140	YBLSOTQTFFHERU-UHFFFAOYSA-N	424.957	5.210	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H](c1ccccn1)c1ccccc1OC)c1ccccc1	534058996	KSVSCIXUMVSBDE-URXFXBBRSA-N	401.510	5.186	30	20	HKED	
C=CCn1c(SCc2nccc(C)n2)nc2scc(-c3ccc(C)cc3)c2c1=O	535165998	IUQJYICOHRSPAY-UHFFFAOYSA-N	420.563	5.010	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1Cl	536173209	HXRCBSZQWMQKRV-NSHDSACASA-N	404.825	5.240	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(C2CCCCC2)no1	538659461	AAEPRFBWAOQXFT-INIZCTEOSA-N	416.481	5.272	30	20	HKED	
COCCOc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	541063282	CZNJYVAESYUZMN-GOSISDBHSA-N	415.493	5.133	30	20	HKED	
COc1cc(CSc2nc3nc(C)ccc3o2)ccc1OCc1cccc(C#N)c1	541288983	WPGBJTDYHRUQTO-UHFFFAOYSA-N	417.490	5.283	30	20	HKED	
COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542924308	METJMOWUCWQSFK-KRWDZBQOSA-N	402.494	5.102	30	20	HKED	
C[C@@](O)(C1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)C(F)(F)F	547365413	GCNJTUSBWVOWJY-CQSZACIVSA-N	423.319	5.250	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1	548858085	CNSULQUYBGOASI-UHFFFAOYSA-N	411.427	5.418	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(CN2CCCC2)c1)c1nc(-c2c(F)cccc2F)cs1	554008267	YQKUXGVDVOGAKU-KRWDZBQOSA-N	423.488	5.174	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(COc2cc(Cl)cc(C#N)c2)cs1	554521381	SXAGBLHPYJDGCD-UHFFFAOYSA-N	418.305	5.585	30	20	HKED	
N#Cc1ccc(C[C@H](C#N)c2nc(C3(c4cccc(C(F)(F)F)c4)CCC3)no2)cc1	570484704	MHQIAXGGVNQLFD-QGZVFWFLSA-N	422.410	5.280	30	20	HKED	
CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	573242234	GCNLTWXYVNBUCN-RTXFEEFZSA-N	421.303	5.746	30	20	HKED	
CC1(C)CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[C@@H]1[C@H]1CCCO1	576994776	BHKQJDCOLQFZGA-NHCUHLMSSA-N	410.901	5.034	30	20	HKED	
CC1(C#N)CCN(c2nnc(-c3cccc4ccccc34)n2Cc2cccs2)CC1	583919852	JTBSZQTTZXAGLJ-UHFFFAOYSA-N	413.550	5.338	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc2cc(F)ccc2s1	592973232	AXZHLIQPFVCGIE-LBPRGKRZSA-N	413.886	5.702	30	20	HKED	
Cc1noc(C)c1COc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	592974538	SSVYRQXFDQJTFG-MRXNPFEDSA-N	421.453	5.109	30	20	HKED	
Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2c(F)cccc12	603814609	NQROXCBVGHPFTL-UHFFFAOYSA-N	414.436	5.778	30	20	HKED	
C[C@@H](c1ccccc1)n1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccccc1	603917213	FBYAEXFQGUPQFW-CVDCTZTESA-N	410.546	5.781	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cs2)c1	604468105	OKWAMVRIPXQBBA-UHFFFAOYSA-N	416.531	5.295	30	20	HKED	
C=CCN(C(=O)Cc1ccccc1OC(F)F)c1nc(-c2ccccc2)cs1	605259517	IBDGFSXBQKCPTG-UHFFFAOYSA-N	400.450	5.173	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc2cc(Cl)ccc2s1	606145529	IGWLWBIXNGSMNY-CQSZACIVSA-N	411.895	5.689	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cc1	609416416	UVQSGAKMOURWHG-FQEVSTJZSA-N	422.271	5.652	30	20	HKED	
COc1ccccc1C1(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCC1	609435123	RCFKSBQYAOBIGW-GOSISDBHSA-N	423.582	5.723	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	609469708	XBIHILZPIUFRDA-IBGZPJMESA-N	422.548	5.735	30	20	HKED	
COC(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F	610880638	BNAHDZIWUIOBHK-LJQANCHMSA-N	422.843	5.173	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c3ccccc3n2)o1	682994923	LKUDIQBTJUUSHE-NRFANRHFSA-N	403.441	5.842	30	20	HKED	
CSc1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	728062064	IJMZKDMZIPBZAU-QGZVFWFLSA-N	417.534	5.298	30	20	HKED	
C[C@@H](NC(=S)Nc1ccccc1C#N)c1ccc(OCc2ccc(F)cc2)cc1	728450460	YYTXOTXRGSOENI-MRXNPFEDSA-N	405.498	5.324	30	20	HKED	
CC(=NOCc1cccc(C(=O)N(C)C)c1)c1ccc(OCc2ccccc2C)cc1	729675396	FKDQHOCFDNNJCX-UHFFFAOYSA-N	416.521	5.217	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3cccc(OCC#N)c3)s2)cc1	730894845	CAEDRBDGTZVPQB-MRXNPFEDSA-N	406.511	5.212	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccccc1C#N	730995783	TYMZUGZEPHQIIX-TWGQIWQCSA-N	401.413	5.235	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1	731199411	XVXKVNBCVAXVSJ-OAQYLSRUSA-N	421.541	5.255	30	20	HKED	
CC(=NNc1ccc(Br)nc1)c1sc(-c2ccc(C)cc2)nc1C	732712904	KJVJPKLKLKGEIU-UHFFFAOYSA-N	401.333	5.421	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(Oc3ccccc3)c2)ccc1OC	733231226	XDJDDCVCHDJHFW-HXUWFJFHSA-N	416.477	5.098	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)c1	733773327	ZEJKOHFPLXEHDG-KRWDZBQOSA-N	411.914	5.074	30	20	HKED	
CCOc1cccc2cc([C@H](C)NC(=O)NCc3cccc(O[C@@H](C#N)CC)c3)oc12	733800189	UWTBGXNTULYDRI-QFBILLFUSA-N	421.497	5.073	30	20	HKED	
CCCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740060680	WZIKFWJQGYUGBD-UHFFFAOYSA-N	419.550	5.417	30	20	HKED	
CCO[C@@H]1CC(=NNc2ncnc3scc(-c4ccc(OC)cc4)c23)C12CCC2	741164033	UVUMZSCAPPEXCU-GOSISDBHSA-N	408.527	5.114	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2cnn(C)c2)c1	741533187	PLUWOTNVNWGSMI-UHFFFAOYSA-N	424.479	5.253	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1	744062713	WALNFWMMFSMJQI-XZVRFQMRSA-N	418.547	5.325	30	20	HKED	
N#CCC1(COC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1	744278054	JNUUCSSOPIWCIC-UHFFFAOYSA-N	403.265	5.096	30	20	HKED	
N#Cc1ccc(-c2nnc(COC(=O)C3(c4ccc(Cl)cc4)CCCCC3)o2)cc1	744910033	DDGJCCBITVICPF-UHFFFAOYSA-N	421.884	5.207	30	20	HKED	
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	752634702	AWFLOXQHBSXGFG-RLWLMLJZSA-N	424.548	5.080	30	20	HKED	
N#Cc1c(F)ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1Cl	761479256	YESONAXRWPQNTC-MDWZMJQESA-N	419.268	5.191	30	20	HKED	
N#C[C@@H](C(=O)COC/C=C/c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	763475838	IZWUXCOTMLARDZ-QTWIXLPOSA-N	408.910	5.370	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc(C3(C#N)CC3)cc2)cc1	767077122	BEKXRSLNRQZFAL-INIZCTEOSA-N	406.482	5.047	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)c2ccccc21	768047715	UUQAQOCIXRECJY-CVDCTZTESA-N	419.525	5.047	30	20	HKED	
O=C(/C=C\c1csc(-c2cccs2)n1)c1ccc(N2CCOCC2)cc1Cl	768849025	PUMNYJJOMIFUDA-UTCJRWHESA-N	416.955	5.258	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	771260299	FSHKXXDVJWCCLN-IQHSHDKKSA-N	400.290	5.402	30	20	HKED	
C[C@H](N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(OCC#N)cc1	772957865	CBGWFMTUJGJQKO-OALUTQOASA-N	404.485	5.719	30	20	HKED	
N#CC1(c2ccccc2)C/C(=C/c2ccc(F)nc2)C(=O)/C(=C/c2ccc(F)nc2)C1	777465837	JKOKOSOHNWJTHF-DIEJBQTFSA-N	413.427	5.046	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1	779103147	AHESLYRISSRAIC-LADGPHEKSA-N	401.466	5.155	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1	780666610	AGFZSIZEBFHFHN-ZHRRBRCNSA-N	420.900	5.279	30	20	HKED	
N#C[C@@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc2cc(F)ccc2s1	781803037	VIKCWJHJCAHLDW-INIZCTEOSA-N	400.434	5.549	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)n2)cc1	786359717	OHBDNSJQMRBVKH-RBSFLKMASA-N	414.939	5.514	30	20	HKED	
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H]3CCc4cc(C#N)ccc43)cccc2c1=O	786370246	UVLVAPCUGQYUTG-QHCPKHFHSA-N	420.468	5.057	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	797569340	AQCVPKBINQJXCA-DGCLKSJQSA-N	423.351	5.397	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1	798008338	HFOVKAAMNQMKGV-CNNODRBYSA-N	421.422	5.437	30	20	HKED	
N#CC1(CCCOC(=O)c2cc(-c3ccccc3)nc3ccccc23)CCOCC1	800088092	YYZYLLJMOXYEOU-UHFFFAOYSA-N	400.478	5.159	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc2cncc3ccccc23)cc1	805855659	LQEXJVMNMATHQJ-RHGYRFJNSA-N	413.521	5.274	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)CCCCCC#N	805889613	HZKGFBNTHXCSKG-AWEZNQCLSA-N	421.360	5.959	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2cc(Cl)cc(Cl)c2O)ccc1OC	806146156	KQUCXHCEFWUGRV-YJBOKZPZSA-N	423.340	5.629	30	20	HKED	
C#CCC1(c2nc(CC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)no2)CCCCC1	809485603	FGTHJCKOGQHLAB-AWEZNQCLSA-N	420.340	5.022	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2cccc(C(F)(F)F)c2)no1	904312309	VNFDCQPAFKUDMF-AWEZNQCLSA-N	410.396	5.015	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1nc(-c2ccc(Cl)cc2)cs1	915101583	ISAMWHPMQPDOEE-KRWDZBQOSA-N	413.329	6.025	30	20	HKED	
N#Cc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	915991634	BSOMQOUAWRPYDN-JXMROGBWSA-N	421.283	6.013	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2c[nH]c3ccccc23)cc1	916914150	VXBXVVXBIXIIOW-QFIPXVFZSA-N	401.510	5.181	30	20	HKED	
Cc1ccc(SCCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1C	916917395	GPTYWMYTWVNRIY-OAQYLSRUSA-N	402.519	5.286	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)CCO3)cs1	917559866	DAAVFNAKSZXEAA-YVMONPNESA-N	424.909	5.312	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1	1788983473	WGOUQFGAWCZMAO-UHFFFAOYSA-N	408.498	5.364	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cscc3OC)CCC2)cc1	1789453795	FZJGJJPWWSOUFP-IBGZPJMESA-N	424.566	5.273	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1	1791251899	XZBHGJKEDPTZQE-WAIKUNEKSA-N	402.485	5.078	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccsc3)CCC2)cc1	1791299155	UQFRGWFXJGOUOH-RUDMXATFSA-N	416.493	5.107	30	20	HKED	
C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1	1791730146	KDEPNTRABIYQRA-RPWUZVMVSA-N	414.549	5.118	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1819304404	ATZKFNJXSLYOOP-TZIWHRDSSA-N	412.578	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cs2)[nH]n1	1819553127	VAOPRGAKSBJGMC-QGZVFWFLSA-N	414.575	5.078	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)C1	1823701308	GXSKDTZSGZAHEH-VWLOTQADSA-N	422.613	5.085	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c(F)c1	10540003	ASGDSBRSUNZXQE-UHFFFAOYSA-N	412.921	6.017	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccoc1C	23519186	AOPASGSSWDGMJE-CQSZACIVSA-N	416.934	5.114	30	20	HKED	
Cc1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1	24000580	RSKUUADRZQWZKX-GOSISDBHSA-N	420.538	5.089	30	20	HKED	
Cc1nc(N/N=C2\C(O)=Nc3c2ccc(C)c3C)c2cc(-c3ccccc3)sc2n1	24037950	FSTPKRAKONAONQ-UHFFFAOYSA-N	413.506	5.701	30	20	HKED	
CCOc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCc1cccnc1	25440504	CCNGFFFDMJRNAV-UHFFFAOYSA-N	415.493	5.113	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl	55385960	IMDHRIGHYVPCJO-SFHVURJKSA-N	409.804	5.295	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ncc(-c2ccccc2)o1	57136496	ZHMZFWKFDXTIDC-UHFFFAOYSA-N	411.486	5.294	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@@H]3CCSc4c(F)cccc43)c2)c1	60972594	HGRJBFQYFIBGFD-HSZRJFAPSA-N	404.510	5.603	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1	63393026	VLVBRKBIVKZOHB-UHFFFAOYSA-N	401.441	5.710	30	20	HKED	
Cc1ccc(OCc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)o2)c(C)c1	63667848	ZJWBPVFROOJYKA-UHFFFAOYSA-N	402.494	5.398	30	20	HKED	
Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)oc2c(C)cccc12	65088592	NEJYFXAKJMZYBX-UHFFFAOYSA-N	409.445	5.426	30	20	HKED	
N#Cc1cccc(/C=C2\CN(C3CCCCC3)C/C(=C\c3cccc(C#N)c3)C2=O)c1	96314577	PGAHWBBCRMUAMG-KOJZRSEWSA-N	407.517	5.114	30	20	HKED	
CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CCC2	104966584	YSEOBXKRAZBGJE-VLGSPTGOSA-N	415.924	5.751	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)cc(Cl)c1OC	207966068	VSLRBFMRQXMMRF-ALCCZGGFSA-N	412.816	5.253	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2ccc(OCc3ccccc3)c(OC)c2)cc1	237270196	GEGJFNITCGIOOC-UHFFFAOYSA-N	417.509	5.194	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1	303629977	QMLZLJMERNUAGY-AREMUKBSSA-N	417.553	5.086	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(N2CCc3ccccc32)CC1	410266127	AHPFVEQCRRJWHU-UHFFFAOYSA-N	423.516	5.018	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)cc1	410289787	JYDCOPKZTRXZNF-QGZVFWFLSA-N	404.416	5.258	30	20	HKED	
N#Cc1cccnc1Oc1ccccc1NCc1c(F)ccc(Br)c1F	410307524	RFHZLMVDJWPZTD-UHFFFAOYSA-N	416.225	5.398	30	20	HKED	
Cc1c(C(=O)Nc2ccc(SCc3cccnc3)cc2)sc2ccc(C#N)cc12	427991161	XQIIHXGYBJTATQ-UHFFFAOYSA-N	415.543	6.021	30	20	HKED	
Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)nc12	429574179	FFPCRAHAGYLQKF-MRXNPFEDSA-N	420.831	5.341	30	20	HKED	
CCOc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc(OCC)c1OCC	430603322	XXDQTCCZYNSHBC-OAHLLOKOSA-N	416.543	5.127	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430617734	OSCCRTQLWWSDJR-OAHLLOKOSA-N	413.543	5.426	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Sc3ccncc3)cc2)c1	435370300	IBRPBYKJENRVRC-UHFFFAOYSA-N	403.507	5.292	30	20	HKED	
N#C[C@H](C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1ccc(C(F)(F)F)cn1	435468618	DOCFUDBHQNTXKG-INIZCTEOSA-N	415.802	5.669	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	438636347	ONJRIQFZKBOFMC-UHFFFAOYSA-N	418.884	5.619	30	20	HKED	
Cc1cnc(N[C@@H](CCC#N)c2ccccc2)nc1N[C@@H](CCC#N)c1ccccc1	439093236	SBTACNYIIYFHOS-GOTSBHOMSA-N	410.525	5.699	30	20	HKED	
COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)NCC2CCC(C#N)CC2)c1	440996928	HZXPSNRYWQVVEG-LTBUFCQKSA-N	417.553	5.265	30	20	HKED	
N#CC(CCSc1n[nH]c(-c2ccccc2O)n1)(c1ccccc1)c1ccccc1	446071393	PPMOGEBGAGMMCF-UHFFFAOYSA-N	412.518	5.169	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	461800494	YRUNOUHAIOLPDN-KRWDZBQOSA-N	405.461	5.158	30	20	HKED	
N#Cc1cc(NCc2cccc(C(N)=O)c2)ccc1Oc1ccc(C(F)(F)F)cc1	462186378	FTUGHGQKJHHCPE-UHFFFAOYSA-N	411.383	5.080	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2SCCc3sccc32)cc1	463277572	DQPHGRFKHSJNHR-QFIPXVFZSA-N	420.559	5.362	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)s1	463753286	KZZLZBNHVBVIKU-MRXNPFEDSA-N	423.513	5.407	30	20	HKED	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	468235562	QYGYUZLPRVEHNH-UHFFFAOYSA-N	415.371	5.273	30	20	HKED	
CCCC1(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCC1	468566152	QVCUESJYDRYEEZ-FQEVSTJZSA-N	423.944	5.021	30	20	HKED	
CCCc1c(NC(=O)N(C)Cc2ccccc2SC)cnn1-c1cccc(C#N)c1	470242792	TVZHCUFHGNKPPR-UHFFFAOYSA-N	419.554	5.082	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCc3ccccc32)cc1	477243482	MIAUMXSMQOMSLA-HSZRJFAPSA-N	413.496	5.139	30	20	HKED	
C=C(C)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(F)c(F)c1	478919750	BRVZYOITSQXQLS-QFIPXVFZSA-N	405.404	5.071	30	20	HKED	
C=CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccccc2)cs1	482275846	ZCCRJYQWHLHAKV-GOSISDBHSA-N	416.468	6.065	30	20	HKED	
COc1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F	488010005	OXAODMPOPDIHKS-UHFFFAOYSA-N	420.459	5.007	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1ccc(F)c(F)c1	497673851	DYIRFDDXBZXPKF-CYBMUJFWSA-N	405.445	5.314	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)c2)c1	497787155	SKADHTSQZGESJM-VXKWHMMOSA-N	404.416	5.158	30	20	HKED	
N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	501021278	VXDBFLFMLRISIS-VQTJNVASSA-N	410.395	5.507	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCC23CCOCC3)cc1Cl	502175418	VURPSFZPNKOWQB-IFMALSPDSA-N	423.944	5.466	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F	504540936	JWBCGALHXZVWLX-CQSZACIVSA-N	407.342	5.416	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)c1ccc(Br)s1	505314909	RSEWYPVIQIYKCP-LDYMZIIASA-N	418.143	5.302	30	20	HKED	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(SCC#N)c1	505453088	IRIBBZPOSPSKLQ-UHFFFAOYSA-N	414.490	5.106	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	505686318	NSYMQAGDQACNRQ-JKSUJKDBSA-N	418.415	5.666	30	20	HKED	
CSc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl	505913763	WUJSIFMNIRUKNM-AWEZNQCLSA-N	419.255	5.729	30	20	HKED	
Cc1cccc(OC(F)F)c1NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	506898587	MUESNCZNLGRKIP-CQSZACIVSA-N	410.289	5.300	30	20	HKED	
N#CCCSc1ccccc1NCc1nc(-c2ccc(Br)s2)no1	511663959	FZBACUVDECPUAU-UHFFFAOYSA-N	421.345	5.178	30	20	HKED	
CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	511927787	RTIDKRSYZZZZOV-ZDUSSCGKSA-N	422.428	5.095	30	20	HKED	
C=CCN(Cc1cnc([C@@H]2CCCO2)s1)Cc1cc(Br)ccc1F	512629562	RTWMYWJKVJBNMV-KRWDZBQOSA-N	411.340	5.084	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl	513963841	XUEMNZUSTFZYSS-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1cccc(NC(=O)c2ccccc2)c1	514087261	GBAFHYVYBVPOET-FQEVSTJZSA-N	424.548	5.130	30	20	HKED	
C=CCCO[C@H](C)C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1	519318278	DUNKYQJWRUPFFO-CQSZACIVSA-N	408.548	5.588	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1	521102077	HRAZUICTARUVGM-HZPDHXFCSA-N	404.297	5.043	30	20	HKED	
C[C@H](S[C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1	521330136	GSBHVCBEMOELQI-KBPBESRZSA-N	400.466	5.111	30	20	HKED	
CCCN1CCC(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	521744181	POFOPYBQMJSLLA-QFIPXVFZSA-N	424.976	5.239	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C	521813673	LMTKDBJDVMNTOW-UHFFFAOYSA-N	422.476	5.240	30	20	HKED	
COc1cc(C)c([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC	522075290	ZDDDMKRKSLPVJL-HOCLYGCPSA-N	413.543	5.147	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NC3(c4ccccc4)CCOCC3)c2)cc1	522133479	WLMFUJRTFFWIKB-UHFFFAOYSA-N	413.477	5.178	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OC3CCCCC3)cc2)cc1	522597246	WIQNCKLTVDAJOB-UHFFFAOYSA-N	408.502	5.350	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1	523884683	XPSBYULKZWCRSK-OAQYLSRUSA-N	403.869	5.376	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	525432850	NTGAIRHNYBAKMF-HUUCEWRRSA-N	415.864	5.618	30	20	HKED	
C[C@H]1CSc2ccccc2N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	533603270	CZZURRDNPXLCIL-MRXNPFEDSA-N	401.491	5.134	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl	533646883	FZWOBYXIFQUOQO-HNNXBMFYSA-N	407.926	5.906	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1[C@@H](C)C1CC1	537477098	ZOPPUVAEFIGWRD-JSGCOSHPSA-N	412.465	5.054	30	20	HKED	
CC(C)C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1	540844090	HIJULHYPMAWWLV-DNQXCXABSA-N	423.532	5.003	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)cc1	541200281	IVDDFDFEGKFHHR-FQEVSTJZSA-N	424.378	5.585	30	20	HKED	
Cc1ccc(C2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)cn1	541230458	ZGVRXCRNKPRQKK-UHFFFAOYSA-N	413.546	5.433	30	20	HKED	
CCn1nc(C)c(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C	541818773	CFVKXYJHXPNSFP-UHFFFAOYSA-N	419.476	5.070	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2cccs2)o1)c1nc(O)c2c3c(sc2n1)CCCC3	543058707	LBPNLWAOFLIPRM-LBPRGKRZSA-N	421.503	5.087	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1	543852222	MNUICZVPKRHSOH-LJQANCHMSA-N	417.431	5.112	30	20	HKED	
CC[C@@H](CC#N)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	546570874	FSVZKQXFKVAPKN-INIZCTEOSA-N	407.297	5.003	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)sc2ccc(C#N)cc12	552546965	LLOVIAPONPYPKK-GFCCVEGCSA-N	404.413	5.663	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1Cc2cccc(Cl)c2C1	554412197	FBIBDSBAAFPZFU-UHFFFAOYSA-N	403.869	5.860	30	20	HKED	
CSc1ccc(N(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1	557529463	ZIBOURJIGARMGV-UHFFFAOYSA-N	413.974	5.203	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	577244502	VQYGKIAUCVPPSL-UTKZUKDTSA-N	411.571	5.111	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3Br)cc2)cc1	582173004	DSBUMEOXVJDSDB-UHFFFAOYSA-N	407.267	5.560	30	20	HKED	
CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(C#N)c(F)c2)nc1-c1ccccc1	583054712	VSSBUKPCBSFSOK-HXUWFJFHSA-N	418.472	5.845	30	20	HKED	
CCOc1c(Br)cc(CNCC(C)(C)CCC#N)cc1Br	583587338	HUUFSWAZABSMGX-UHFFFAOYSA-N	418.173	5.030	30	20	HKED	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	588993432	IKHMFTNQHFRQDV-QFIPXVFZSA-N	416.481	5.369	30	20	HKED	
N#Cc1ccc(Oc2ccc3nc(C(F)F)nc(Oc4ccc(C#N)cc4)c3c2)cc1	589556222	HARUDRIZJHKSBL-UHFFFAOYSA-N	414.371	5.895	30	20	HKED	
C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc(C#N)cc1	603510009	GYEPCCHJZVDBJA-KRWDZBQOSA-N	411.480	5.656	30	20	HKED	
CC(C)c1noc2ncc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc12	603991966	JFTXRKSCNOYEDO-UHFFFAOYSA-N	414.490	5.297	30	20	HKED	
COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)ccc1OC(F)F	603996610	XOSMVUCDRDOSOU-UHFFFAOYSA-N	406.454	5.141	30	20	HKED	
COc1ccc(Cl)cc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	604003904	QYPBNFKIEKXDDI-UHFFFAOYSA-N	420.896	5.175	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1S[C@H](C#N)Cc1ccccc1	604070730	YLGYITAMUOZJBW-NRFANRHFSA-N	406.555	5.130	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c(C)nc2ccccc2c1C	604358287	OZZAPARXRMKLLH-UHFFFAOYSA-N	421.500	6.005	30	20	HKED	
Cc1csc(-c2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)n1	608808375	CULXVFDVDIYHDA-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
CN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1F	609216115	DUXJULMYRZLMHA-UHFFFAOYSA-N	405.376	5.116	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCc4ccc(F)cc43)cc2F)c1	609322537	RJWPDDSMTIQBGB-QFIPXVFZSA-N	419.431	5.224	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccccc3S[C@H](C)CC#N)[nH]c2c1	609434995	JMWVUUKBRIIBHQ-OXQOHEQNSA-N	419.554	5.635	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OC(F)F)cc1	609435502	RQUKNHJILYBYEU-KGLIPLIRSA-N	405.470	5.565	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCSc1ccc(Cl)cc1	609439079	XJLNFHKDMSQIEW-CQSZACIVSA-N	405.976	5.648	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(Cl)c1	609444355	QEYRIUGYEPYJEB-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc2ccc(Cl)cc2[nH]1	609493664	ZBVSAUJRGVHNSQ-UHFFFAOYSA-N	418.909	5.169	30	20	HKED	
C[C@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1cccc(C#N)c1	610406560	DMHYVVQBDIJRII-AWEZNQCLSA-N	408.889	5.003	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2ccc(F)cc2Br)n(-c2ccccc2)c1C	611466713	GYFMDVWSZLBCRN-UHFFFAOYSA-N	412.262	5.120	30	20	HKED	
CCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1C(CC)CC	616228426	HJWLOACJCAOLBM-UHFFFAOYSA-N	403.486	5.118	30	20	HKED	
Cc1c(C#N)c(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)n(-c2ccccc2)c1C	619586959	HIQHPPOMAVJQAA-UHFFFAOYSA-N	419.435	5.042	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)s3)n2)cc1	671757743	VUXIWYCXVYTHSE-GFCCVEGCSA-N	403.410	5.252	30	20	HKED	
FC(F)Oc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1Cl	678208162	MWDHVCYRWRLGDV-UWVGGRQHSA-N	411.720	5.504	30	20	HKED	
CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(F)c(SC)c(F)c2)c1C(F)F	680051492	TVZIFNMWDQUICC-UHFFFAOYSA-N	415.334	5.112	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl	726483770	TVVGFPPALMURTM-AWEZNQCLSA-N	404.366	5.489	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1	726940464	KUXUDJSFZZQYGQ-UHFFFAOYSA-N	410.315	5.037	30	20	HKED	
COc1cccc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)c1OC(F)F	727780883	VXWSOIUUYSLCKO-BJMVGYQFSA-N	413.189	5.021	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2n1	730395271	SPXBXFWNRVRPCJ-OFVILXPXSA-N	412.489	6.084	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)s1	730590130	OZINNYMBULDRIJ-GORDUTHDSA-N	403.799	5.164	30	20	HKED	
C[C@@H](C#N)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)cc1	731298449	IZMJTXLRLXEFOE-NYHFZMIOSA-N	403.869	5.402	30	20	HKED	
C=CCSc1ccccc1NC(=O)Cn1nc(C)nc1-c1ccc2ccccc2c1	731937452	JPCUSEZPVIWZHN-UHFFFAOYSA-N	414.534	5.324	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H]3CCc4ccccc4C3)n2)cc1	732595925	FBTUBZLVNQJXJW-KKSFZXQISA-N	402.519	5.190	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1sccc1Br	733083792	QQDMTUJZMOYXNO-PLNGDYQASA-N	421.297	5.438	30	20	HKED	
N#CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1	735084094	DRJWWWUIPDHJJV-NRFANRHFSA-N	424.287	5.667	30	20	HKED	
CNc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(Cl)n1	735651455	ZKIWDABTZSIOBD-QGZVFWFLSA-N	411.292	5.338	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Cl)cs1)C(=O)Nc1ccccc1Oc1ccccc1	737316362	JLOMZFHNAKSOLL-GOSISDBHSA-N	424.909	5.474	30	20	HKED	
CC(=NOCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2ccc(F)cc2)s1	742355125	WHQSGNCOZRZSTJ-UHFFFAOYSA-N	418.453	5.417	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	743227615	FXSLJVXLUFHMHX-INIZCTEOSA-N	415.559	5.554	30	20	HKED	
O=C(/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2oc1=O)c1ccccc1	746959279	ZRMPTFVNBAVEMX-NBVRZTHBSA-N	421.374	5.630	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)C(=O)c3cccc(F)c3)n2)cc1	747110222	PKFUOUZRTGBSHR-LIRRHRJNSA-N	422.481	5.043	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(C(F)(F)F)c1	747200968	MDVAXWGRFIFBOF-CYBMUJFWSA-N	404.775	5.354	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1	748236080	NUMASBKYZCKARN-UHFFFAOYSA-N	413.458	5.116	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3cc(C#N)cs3)s2)cc1	748440735	QZIFFIUDYSCVNQ-OVCLIPMQSA-N	400.916	5.023	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1	748950599	YMQCYSHAFKVYLL-JOCHJYFZSA-N	423.875	5.139	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnc2ccccc12	749026406	VADNRHNMGZUGMD-CQSZACIVSA-N	411.408	5.662	30	20	HKED	
N#Cc1ccccc1/C=C/C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1	760956870	YTWZILCFICACJV-SOFGYWHQSA-N	415.320	5.086	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Cc3ccc(Cl)cc3C2=O)cs1	762446522	JHBPHLCDIAUALQ-MHWRWJLKSA-N	408.910	5.612	30	20	HKED	
Cc1nc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)oc1-c1ccc(Cl)cc1	763921462	VIACCSKXMGIROK-GJZGRUSLSA-N	410.857	5.247	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1	765622913	DUFFCTNGQHSCHS-OAQYLSRUSA-N	408.417	5.051	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(Cl)nc1C(F)(F)F	766602701	ARAILMKPYDVVPP-UHFFFAOYSA-N	418.671	5.660	30	20	HKED	
C=C(C)C[C@H](C)C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1	767044076	HHVFMDZIGAVVKY-AWEZNQCLSA-N	402.288	5.209	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3ccc(OC)cc3nc2C)cc1	770105395	APDXFCFSEPIBDM-QRQCRPRQSA-N	415.493	5.027	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	772984270	PKEXWXPZJLFYSB-AEFFLSMTSA-N	421.522	5.855	30	20	HKED	
C=C(C)[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(F)c(F)c1	775557742	JSEUSOMQQVXOCT-NYHFZMIOSA-N	406.904	5.423	30	20	HKED	
COc1ccc(COCc2cccc(N[C@H](C)c3ccc(OCC#N)cc3)c2)cc1	777216457	QYZMWEIZNXBVEF-LJQANCHMSA-N	402.494	5.487	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1	780675273	OWRKDGDGKIBDMU-OAHLLOKOSA-N	406.461	5.009	30	20	HKED	
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F	785784590	FDCGOLBZIZPMBO-CQSZACIVSA-N	413.440	5.625	30	20	HKED	
C[C@@H](Cc1ccccc1)NC(=S)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	786075333	VUUDGTXBHNDCCI-IBGZPJMESA-N	417.553	5.205	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)n1	789039220	UHRYCIZEZZXZMY-GOSISDBHSA-N	420.944	5.129	30	20	HKED	
COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c(Cl)c1	794755540	PFEXTSYYDAAOTQ-UHFFFAOYSA-N	413.717	5.085	30	20	HKED	
C[C@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(C(F)(F)F)cn1	798677351	ZMJHKERKMOWYJV-ZDUSSCGKSA-N	416.355	5.062	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1	800519113	KRVSLUODIFOPLV-ZONZVBGPSA-N	419.528	6.194	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1	806401444	QTEABFPRTMYUDL-BFUOFWGJSA-N	419.403	5.149	30	20	HKED	
C=CCSc1nc2ccccc2n1CN1CCCC[C@H]1c1nnc(C2CCC2)o1	808239391	JGIYSBZQLVKNIB-IBGZPJMESA-N	409.559	5.150	30	20	HKED	
CCN(CC)c1ccc(C=Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c(O)c1	918152333	DGLXAZFAEILMFW-UHFFFAOYSA-N	411.889	5.488	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc3c(c2)OC(F)(F)O3)cc1	920072606	KKDLQIRNWDMEEW-SFHVURJKSA-N	423.444	5.472	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3cccc(C(C)C)c3)n2)cc1	920138935	LYNZXOMTILBYOM-HRAATJIYSA-N	420.534	5.586	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)C)nc1O	1565656780	QJFDIBWEPBHEIQ-UHFFFAOYSA-N	403.457	5.077	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cs2)CC1	1828821413	NFSVXUCZDGKEEM-LEWJYISDSA-N	414.615	5.058	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccccc1F	11171723	BRBYJSATZJEYEK-UHFFFAOYSA-O	413.563	5.405	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2cccc(C)c2)cc1	22695491	WYOCDLICYMGOMV-UHFFFAOYSA-O	419.570	5.349	30	20	HKED	
Cc1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	41538430	HJMOPPMUKNEYPV-GFCCVEGCSA-N	408.335	5.680	30	20	HKED	
Cc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1[N+](=O)[O-]	41549375	HAGAHVCDHRTRFU-GFCCVEGCSA-N	405.357	5.022	30	20	HKED	
C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2NC1=O	55428298	MDRYZARQCINHRL-AWEZNQCLSA-N	415.474	5.036	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C	63961616	RNSLPXSTFVCABS-UHFFFAOYSA-N	409.493	5.420	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1ccc(OC(F)F)cc1	108965024	JLIRJIQZUGREOM-HNNXBMFYSA-N	401.482	5.510	30	20	HKED	
Cc1ncc(-c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)o1	115732833	MXDPXGNIZRHUAW-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1csc([C@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C2CC2)n1	304084964	WIWHSWXOLBFVOX-HXUWFJFHSA-N	423.925	5.650	30	20	HKED	
Cc1nc(CCCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cs1	426265275	GVKYFEYOPSWUNK-UHFFFAOYSA-N	407.514	5.327	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2NC(=O)c2cccs2)s1	430610781	MEDWDQNZHYYRDH-AWEZNQCLSA-N	409.536	5.244	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)s1	430615519	CBOLYFCBBKZGFF-HNNXBMFYSA-N	408.527	5.101	30	20	HKED	
CCn1nc(C)c(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	432008455	VOBHWNBGMAACCV-NRFANRHFSA-N	406.917	5.010	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nccc2ccccc12	434644942	IJLDKSOFNZYZRN-SFHVURJKSA-N	401.372	5.190	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C3(c4cccc(C#N)c4)CC3)s2)cc1	435013214	WNACBOULSORRKR-QGZVFWFLSA-N	401.535	5.208	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)c1	438066974	NHFWRMVAQDKIPF-LOSJGSFVSA-N	422.488	5.654	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1F	438661846	AZPRXFQJTOIVCL-HXUWFJFHSA-N	402.429	5.254	30	20	HKED	
CN(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1Cl	439114045	GAPVPDZCDCKXBK-UHFFFAOYSA-N	410.823	5.443	30	20	HKED	
N#CCCCCNC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1	442063959	NDQZJYVBOVUIIA-UHFFFAOYSA-N	406.255	5.196	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(F)cc(C(F)(F)F)c3)n2)cc1	447111409	RUXAJCNSQNGZOB-INIZCTEOSA-N	415.371	5.330	30	20	HKED	
Cc1nc(NC(=O)c2ccc3cc(Br)ccc3c2)sc1SCC#N	448161869	VBOWLIZYRQSUPE-UHFFFAOYSA-N	418.341	5.235	30	20	HKED	
N#Cc1ccc(OCCNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1	460282867	LIYRMFQYCFPPJW-UHFFFAOYSA-N	410.395	5.053	30	20	HKED	
COc1ccc(OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc12	462663186	ZWUAFVYXDXGESI-MRXNPFEDSA-N	406.507	5.260	30	20	HKED	
Cc1cc(F)cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1	463289895	IBLCPILRJMLELF-UHFFFAOYSA-N	419.403	5.324	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cc(C(F)(F)F)ccn1	464463110	BCZHIBJDCWKVJZ-CYBMUJFWSA-N	407.804	5.367	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(F)c(OC(F)F)cc3F)c2)cc1	468210721	NBMQGGZHRJRDEN-UHFFFAOYSA-N	416.330	5.482	30	20	HKED	
CCC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	471272349	IBWAZYQNGMHSBC-UHFFFAOYSA-N	406.429	5.556	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1	471282424	JHMVZTHLJRFBIE-QGZVFWFLSA-N	416.550	5.461	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1	471365696	IFJLEFMBAOJRBA-UHFFFAOYSA-N	421.541	5.275	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1	476779032	MPYXPKLEJMQRRY-UHFFFAOYSA-N	400.866	5.051	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1C1CC1	477297336	ILNNMJNKOWMHJQ-OAHLLOKOSA-N	401.470	5.043	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	478395362	RXKJQBTZSWOQNE-CQSZACIVSA-N	417.456	5.069	30	20	HKED	
Cc1coc(-c2cc(NC(=O)c3occc3COc3cccc(C#N)c3)ccc2C)n1	478480434	MVKJSWOVIUVDKZ-UHFFFAOYSA-N	413.433	5.254	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3csc(-c4ccco4)n3)cc2)c1	478793562	KESLACNZWRYDKO-UHFFFAOYSA-N	416.462	5.389	30	20	HKED	
Fc1ccccc1COc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1	480529235	QAMNLJHQIRCDSP-UHFFFAOYSA-N	422.344	5.116	30	20	HKED	
CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(Br)cn1	481151567	FAZGAVRITKLVBX-UHFFFAOYSA-N	424.323	5.144	30	20	HKED	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	482021376	LXOCHPSJMTUCLS-GUYCJALGSA-N	406.379	5.293	30	20	HKED	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482393347	DVKRHYMPEBQRNJ-ABKXIKBNSA-N	408.317	5.249	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cccc3ccccc23)n1)c1cnc2ccccc2n1	483216660	LCLLEENRLYBNQB-GOSISDBHSA-N	406.470	5.397	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1ccc(Cl)cc1	483239151	PQFVHWPHCZUHFA-FQEVSTJZSA-N	414.896	5.687	30	20	HKED	
CCC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)c(Cl)c1	486967386	DDMGWPCKROVUPM-QGZVFWFLSA-N	424.715	5.115	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	488014195	LYCIUKDXBKARNA-UXHICEINSA-N	418.434	5.595	30	20	HKED	
C=CCOc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1OC	497563442	ACPUGOKNVQJXTD-NRFANRHFSA-N	411.548	5.171	30	20	HKED	
Cc1ccccc1CNc1ccccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	498179606	NHNNTCGNPMAOBY-UHFFFAOYSA-N	410.399	5.145	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)CC2)cc1	503497046	CUUZEMKLWNUCIK-UHFFFAOYSA-N	405.807	5.552	30	20	HKED	
CC[C@@](C)(C#N)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	504242045	WKOPSUZTIVAPCK-SFHVURJKSA-N	422.794	5.787	30	20	HKED	
CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CCC2	504655608	SCZPWWPAANSVNW-CCEZHUSRSA-N	419.887	5.500	30	20	HKED	
Cc1nc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)sc1SCC#N	504729231	DJNRAMZFKCSMRT-SECBINFHSA-N	418.396	5.493	30	20	HKED	
CCCCOc1ccc(-c2nnc(CN(CC)[C@@H](C)c3ccc(C#N)cc3)o2)cc1	507720088	VGKJMMILVGLJFF-SFHVURJKSA-N	404.514	5.370	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc21	510370049	USOADLNCFASFIL-FQEVSTJZSA-N	415.880	5.296	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cc2c(ccc3ccccc32)o1	510513456	HJKCMDXJPBCGFD-INIZCTEOSA-N	400.503	6.019	30	20	HKED	
F[C@@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2cccnc2OCC(F)(F)F)n1	511991036	WHMKCJBXLXRYQZ-LBPRGKRZSA-N	421.272	5.150	30	20	HKED	
C=CCN(Cc1cnc([C@H]2CCCO2)s1)Cc1cc(Br)ccc1F	512629565	RTWMYWJKVJBNMV-QGZVFWFLSA-N	411.340	5.084	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1-c1ccoc1C	514647167	FTRQZJJSOSOVPU-UHFFFAOYSA-N	412.902	5.633	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1ncc(C(F)(F)F)cc1Cl	514771188	WGICLQNMKMNTLY-NSHDSACASA-N	420.909	5.511	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cccs4)n3)n2)cc1	516270454	ZGQBZHOSLCPECN-AWEZNQCLSA-N	423.544	5.494	30	20	HKED	
CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N	517460788	VKBLMXMWTUEWMI-ZBFHGGJFSA-N	413.509	5.303	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)CC(C)(C)C)cc12	517835499	HCOZRBWQFCCTGA-UHFFFAOYSA-N	414.962	5.451	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c2cccnc12	518652980	OTBBWGYEEOWMPO-AWEZNQCLSA-N	411.914	5.300	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1	520659764	OYJGFWAHKMFBDN-QMMMGPOBSA-N	401.727	6.117	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	520713215	HXKCCNJJLYILOB-DNQXCXABSA-N	414.480	5.351	30	20	HKED	
C=CCN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1	521808066	BLQOWLZJIDBRBD-IBGZPJMESA-N	424.508	5.110	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CCCCC2)nc1	522937445	AKNKFRPMVPOSBZ-UHFFFAOYSA-N	420.557	5.033	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1	523015055	XFDIJZOJQNUOAX-OAQYLSRUSA-N	407.514	5.243	30	20	HKED	
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N	531075806	BAEMFPVODDMVOB-SYYKKAFVSA-N	407.583	6.271	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1	531100313	YVTMNQVYMPDJIB-BVZFJXPGSA-N	400.478	5.152	30	20	HKED	
C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1cccs1	531761823	GGRLVZMHVYUIPO-UHFFFAOYSA-N	420.563	5.459	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1cccc(C#N)c1	532322234	VEYDXICLOSIYBU-CYBMUJFWSA-N	412.356	5.604	30	20	HKED	
CSc1cccc([C@H](NC(=O)c2ccc(CC#N)cc2)c2cc(F)ccc2F)c1	534673941	BAAZJKZCVXEMOS-QFIPXVFZSA-N	408.473	5.272	30	20	HKED	
CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)CC2	535608953	JWRSJESIRHDZFC-PMACEKPBSA-N	423.944	5.091	30	20	HKED	
CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(F)cc1	542021258	ASKVLXCBVLRIFJ-MRXNPFEDSA-N	404.470	5.064	30	20	HKED	
C[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(-c2cccc(C#N)c2)cc1	542931214	AKTNLNQSLALLNE-SFHVURJKSA-N	422.488	5.085	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1	543825155	BRSJWTGQMLOZRG-UHFFFAOYSA-N	421.541	5.461	30	20	HKED	
N#CCc1ccc(CN2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1	544070367	UWGIKXBGAIWPCL-FQEVSTJZSA-N	402.325	5.053	30	20	HKED	
N#C[C@H](C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)c1ccncn1	544814820	JZDPUBOMSBAWQA-INIZCTEOSA-N	414.317	5.566	30	20	HKED	
CC(=O)Nc1ccccc1-c1noc(-c2ccc(Oc3ccc(C#N)cc3C)cc2)n1	544922339	UOBQGNAKHNXJQM-UHFFFAOYSA-N	410.433	5.334	30	20	HKED	
N#Cc1cccc(C2(NCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)CC2)c1	556406670	APEQLTYWCNFSNY-UHFFFAOYSA-N	401.897	5.243	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(CSc2ccccn2)c1	557101643	NSRBCZZNHMWPDZ-UHFFFAOYSA-N	407.514	5.733	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	562084957	QCKQDOAGLUCMQT-KSSFIOAISA-N	403.404	5.114	30	20	HKED	
C[C@H](CC#N)N(C)c1nnc(-c2cc(Cl)ccc2Cl)n1Cc1ccccc1	562259919	UMVXPXIVCNZACD-CQSZACIVSA-N	400.313	5.039	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NCc2cnc3c(C#N)cnn3c2)c2cccs2)cc1	566927814	RIRCHEVRPXYVHG-AOMKIAJQSA-N	401.539	5.055	30	20	HKED	
CCCCSc1nnc(Sc2c(C#N)cnc3c(F)c(F)c(F)cc23)s1	587005699	OVEUMZKLVKQKQJ-UHFFFAOYSA-N	412.487	5.419	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1cccc(Oc2ccccc2)c1	597278043	AOMMXZRSNYTQNP-UHFFFAOYSA-N	408.841	5.030	30	20	HKED	
Cc1cc(NC(=O)c2cccc(CC#N)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1	603734951	UVFWXPFMUVXWMS-UHFFFAOYSA-N	418.806	5.171	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C)cc1	603738800	QPQFKRZNORTKBC-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
N#Cc1c(SCc2nc(-c3cccs3)no2)nc2c(c1-c1ccco1)CCC2	603818421	JOPLKMGSDCGHNH-UHFFFAOYSA-N	406.492	5.106	30	20	HKED	
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12	603872852	XAIMGSSQLGOZNH-UHFFFAOYSA-N	417.557	5.672	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1	606773278	FEFTYYHQHAOTFF-UTKZUKDTSA-N	419.443	5.168	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608333892	TWYJHHFHLQVOKR-QMSLJYSESA-N	408.264	5.135	30	20	HKED	
COc1cccc(CN(CC(C)C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	609398677	IWBZOCLWOOFREW-SFHVURJKSA-N	411.571	5.637	30	20	HKED	
C[C@H](Oc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cn1)c1ccccc1	609428142	ARDWELCHQVHCAG-MSOLQXFVSA-N	417.534	5.868	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12	609430298	LFKUPBSGOPXLKH-CQSZACIVSA-N	420.538	5.870	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)OC)c2cccc(Cl)c2)nnc1-c1cccc(C)c1	609786865	DUCGEMGXFVCWAU-GOSISDBHSA-N	413.930	5.099	30	20	HKED	
CCn1c([C@H](C)NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)nc2ccccc21	609988154	AITGRYHGCXYGCB-KRWDZBQOSA-N	409.493	5.162	30	20	HKED	
CS[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1	610048397	XVMUVTVUGLUBHI-QHCPKHFHSA-N	402.519	5.489	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)NCc1ccc(C#N)cc1F	610732237	NCVDHVWNUBXVTL-HNNXBMFYSA-N	408.502	5.032	30	20	HKED	
N#Cc1cc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)ccc1F	612539108	QQVPDXCJLXRQQL-MRXNPFEDSA-N	401.201	5.243	30	20	HKED	
N#C[C@@H](C(=O)c1cc(F)cc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	613347044	VSZHXMRHKQDCAF-AWEZNQCLSA-N	409.244	5.885	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1	680169989	UCXCUULJJASILO-DEOSSOPVSA-N	405.501	5.357	30	20	HKED	
FC(F)(F)c1cc(-c2noc(C(F)(F)C3CCOCC3)n2)cc(C(F)(F)F)c1	685236063	NMKMNJZUAMHCIR-UHFFFAOYSA-N	416.268	5.293	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cccc(COCc3ccc(OC)cc3)c2)c1	726481470	BUSPRBHAIPOVAS-UHFFFAOYSA-N	402.519	5.202	30	20	HKED	
N#CCCCOc1cccc(/C=C2/CSc3ccc(Br)cc3C2=O)c1	726743586	MSHXHQGQOWGQMR-GDNBJRDFSA-N	414.324	5.504	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F	727628548	NMQQPQJTSWZZES-ZDUSSCGKSA-N	423.341	5.139	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1	729520660	MLKAFONJSFUCHV-NRFANRHFSA-N	409.411	5.411	30	20	HKED	
C[C@@H](C#N)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1	731302267	ZJVHMXVJFRNRQQ-RCDICMHDSA-N	421.859	5.541	30	20	HKED	
Cc1c(C(=O)/C=C\c2cccc(OCCCC#N)c2)cnn1-c1cccc(Cl)c1	731565649	XCPMCFPQCWNCER-KHPPLWFESA-N	405.885	5.413	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1	733799766	FQKHIHMXUWKSOG-CJNGLKHVSA-N	406.313	5.235	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2(c3ccc(Cl)cc3)CCCC2)c1	733847173	KHVPFOMHBJKIPW-FQEVSTJZSA-N	411.933	5.290	30	20	HKED	
CCc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2cc(Cl)ccc2OCC#N)cc1	735318949	SFHSVHXQUDLJQA-JKSUJKDBSA-N	416.974	5.304	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2ccc(OCc3ccccc3C#N)cc2)cs1	736783552	DYMSOVQKDMZWGZ-INIZCTEOSA-N	422.506	5.048	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)CCCCC(=O)c3ccccc3)c2)s1	739749096	FKVZEAPTDAKEMA-UHFFFAOYSA-N	402.519	5.346	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccccn2)nc2ccccc12	745189070	GMWMIEONFZQHGN-UHFFFAOYSA-N	424.460	5.033	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(CC3CCCC3)CC2)cc1	745268080	LKGHZXJRGLXWEX-VWLOTQADSA-N	416.569	5.118	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1	747108726	QFNQVEYYJYFFIA-DYVFJYSZSA-N	417.336	5.569	30	20	HKED	
CN(C(=O)Nc1cccc(OCC#N)c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	748937871	QAKAZOLXWOMRIZ-QFIPXVFZSA-N	423.875	5.635	30	20	HKED	
CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1F	750302111	KNJXIJJRQFOQBP-OAQYLSRUSA-N	401.485	5.580	30	20	HKED	
COc1ccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	750693837	ZXBQGBZLUAVVNW-FOIQADDNSA-N	401.491	5.060	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)[nH]c12	762062841	ABKQHFGWPWWIFL-LAUBAEHRSA-N	407.473	5.082	30	20	HKED	
N#CCOc1cccc(Cc2nc(C(F)(F)c3ccc(Cl)c(Cl)c3)no2)c1	762408988	LMHLRJYCQTXJOT-UHFFFAOYSA-N	410.207	5.010	30	20	HKED	
CC(C)n1ncc2cc(/C=C\C(=O)c3cc(Br)ccc3F)c(Cl)nc21	763121065	CSIBDJIBKCHXLD-UTCJRWHESA-N	422.685	5.463	30	20	HKED	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)C1	766636935	IQZOMYGESXKGAQ-KBAYOESNSA-N	402.535	5.767	30	20	HKED	
N#CCOc1cccc(NC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1	767606663	CFNSFRGQJSDAMJ-SFHVURJKSA-N	422.485	5.051	30	20	HKED	
C#CCC1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)CCCCC1	772814422	GFOQTHWFCORQSI-IBGZPJMESA-N	422.594	5.499	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3ccc4cnccc4c3)SC2=S)cc1Cl	779204080	OECZIYFZVPTQKJ-QGMBQPNBSA-N	407.907	5.166	30	20	HKED	
Cc1cc(Cl)ccc1O[C@@H](C(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1	780152664	GMCKXQAFSJHHNM-UZUQRXQVSA-N	420.896	5.698	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	780583438	FSZKEVBRRJSMOE-AWEZNQCLSA-N	408.845	5.462	30	20	HKED	
O=C(/C=C\c1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1)c1ccnc(Cl)c1	782195269	VFDAZPREESBUGI-CGXWXWIYSA-N	409.272	5.576	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCCN1c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	786322687	LCBWFYPKWJCEIC-DOTOQJQBSA-N	415.440	5.160	30	20	HKED	
C/C(=C/c1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787051339	HRNRJIYGTXAMQB-KEHCJCSDSA-N	419.283	5.122	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1CN(C)c1ccccc1	788785248	DSCKZZGNBSGJEE-GOSISDBHSA-N	400.482	5.258	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1	789458179	ZCMZGZBYLIYJLE-SFHVURJKSA-N	415.578	5.307	30	20	HKED	
COc1cc(C=NO[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)cc(OC)c1	794727882	RAQNRNWJBFOEJI-CQSZACIVSA-N	400.862	5.432	30	20	HKED	
CCCNc1ccc(C#N)cc1NCc1ncc(-c2ccccc2Br)o1	795266494	MAHPGEHBFOYBKQ-UHFFFAOYSA-N	411.303	5.410	30	20	HKED	
C[C@H](OC(=O)c1cc(C#N)ccc1Cl)c1nnc(-c2ccc(Cl)cc2Cl)o1	803834641	MKHISRIAFCPTDR-VIFPVBQESA-N	422.655	5.486	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1Br	808871067	BCOAYVDJFUYIHO-UHFFFAOYSA-N	405.342	5.052	30	20	HKED	
CC(C)(CCC#N)CN[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	810176575	XCEGCODCMPCVDQ-SFHVURJKSA-N	401.551	5.555	30	20	HKED	
C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1cccc(C#N)c1	810257877	PGRVATLNWKHROJ-HRAATJIYSA-N	421.541	5.858	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1	915087179	RHEMCNUZOBYHQR-QHCPKHFHSA-N	407.473	5.568	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc4c(c3)CCC4)n2)cc1	916974376	JORKYTITECWYOU-HRAATJIYSA-N	402.519	5.251	30	20	HKED	
Cc1ccc(OCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1	917044388	SPYRUKFTBAXGEE-OAHLLOKOSA-N	418.440	5.577	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccc(C)cc3)n2)cc1	920138357	FJOYOGXMBYTJDS-LJQANCHMSA-N	408.548	5.486	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	921130687	BIMBGOHIHPCCCQ-UWJYYQICSA-N	416.452	5.144	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)C1	1785808644	VGMADAXLAQJHID-UHFFFAOYSA-N	422.645	5.138	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C)n3)CCC2)cc1	1789453241	QNICDUTVQPRRBK-HXUWFJFHSA-N	421.516	5.045	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4cccc(Cl)c43)CCC2)cc1	1791589276	RRHNCWDUVVUQKM-LJQANCHMSA-N	408.929	5.080	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1	1819556877	PMWSDTJYRVYYEM-NTKDMRAZSA-N	412.578	5.141	30	20	HKED	
CCN/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1	22686838	FWSPWPQVFNVWOF-UHFFFAOYSA-O	417.598	5.237	30	20	HKED	
Cc1cccc(OCc2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)c1	23389410	YUQOZUPDRHKHOY-UHFFFAOYSA-N	413.502	5.788	30	20	HKED	
Cn1cc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	41538052	YZFFOQHIVFHGLA-LBPRGKRZSA-N	410.713	5.599	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Cl)s2)cc1	48161805	ZYSLOBVNDGPRMU-UHFFFAOYSA-N	411.914	5.368	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1	63405047	OFYQHZZYZKCWAR-QHCPKHFHSA-N	403.913	5.337	30	20	HKED	
CCOc1cc(C#N)ccc1OCc1csc(COc2ccc(Cl)cc2)n1	71858152	OTOMWAUSXDCZFF-UHFFFAOYSA-N	400.887	5.225	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nnc(-c3ccccc3)o2)cc1	72074643	HXZKHRGWIFDGGT-MRXNPFEDSA-N	412.449	5.582	30	20	HKED	
CCCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1ccc(C#N)cc1	108146156	UPFJBRZOLSSFMW-UHFFFAOYSA-N	410.732	5.369	30	20	HKED	
C=CCn1c(SCCOc2cc(Cl)ccc2Cl)nnc1-c1ccncc1	216790345	FSLBOBBWYIINTD-UHFFFAOYSA-N	407.326	5.004	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)c1	236900765	MUZQIMVUELOTMZ-RUZDIDTESA-N	422.532	5.510	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1[C@H](C)c1ccccc1	303291032	AWACZBDMTSHAOI-IEBWSBKVSA-N	417.578	6.218	30	20	HKED	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428655987	OGOIZOQFVMNFEX-QZTJIDSGSA-N	420.944	5.381	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Br)cc1Br	429219047	JPOULLKMTBVAOO-UHFFFAOYSA-N	417.145	5.005	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)nc(-c2ccc(Cl)cc2)n1	430631290	UHQGBHDXPHUEGC-OAHLLOKOSA-N	410.930	5.350	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)sc2C)cc1	430637589	CRSCHSZXCUJPKZ-KRWDZBQOSA-N	410.564	5.976	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1	431975164	VYWKAEPARFYJAR-VXNXHJTFSA-N	405.542	5.197	30	20	HKED	
C[C@]12CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C[C@H]1C2(F)F	432682121	PLIRKYGPHWIFFL-DSKINZAPSA-N	415.871	5.504	30	20	HKED	
Cc1cc(C)n(-c2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2F)n1	432917373	KXPVJXJYPRFXON-OAQYLSRUSA-N	405.477	5.185	30	20	HKED	
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1	433172603	FSSRRPURWALSOC-NRFANRHFSA-N	401.514	5.688	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1c(F)cc(Br)cc1F	438638636	YPRYPRQLIJIMJE-RHSMWYFYSA-N	420.257	5.031	30	20	HKED	
C[C@H](SCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccc(C#N)c1	443143581	JCSPAPCCVNFCMZ-AWEZNQCLSA-N	414.577	5.080	30	20	HKED	
C=CCn1c(SC[C@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1cccs1	462417648	WBLVXOHMUBWURW-LBPRGKRZSA-N	405.495	5.082	30	20	HKED	
Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)sc2c1CCCC2	465112337	LMHIZVCPCJXTPT-UHFFFAOYSA-N	418.587	6.352	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCC[C@H]3c3cc(F)cc(Br)c3)cc2)CC1	466297484	NNFFJCDWVYWGAB-IBGZPJMESA-N	413.290	5.121	30	20	HKED	
CCCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H](C)c1cc2ccccc2o1	466600023	NDGWWECKFATAEL-KRWDZBQOSA-N	406.486	5.515	30	20	HKED	
CCCn1nc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	470342068	IZUSZNSMWNCQJN-FQEVSTJZSA-N	406.917	5.471	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ccc(N2CCCCC2)c2ncccc12)c1ccccc1	471400302	XGEMKVONVDAGIS-NRFANRHFSA-N	413.525	5.392	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CCC(F)(F)CC1	474262236	ASTRQPAAIRVRTP-ZDUSSCGKSA-N	403.313	5.641	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C	475019531	VBQRZSUKQNSQJQ-MRXNPFEDSA-N	418.419	5.080	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)n1	475512133	NEHGCYSZWXSGPL-ZDUSSCGKSA-N	404.413	6.035	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	475577757	HOLAQGCMAACGIQ-GBXCKJPGSA-N	405.586	5.571	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccccc1	476721074	GSAJRCIHVZFIJF-FXAWDEMLSA-N	418.484	5.409	30	20	HKED	
C=CC1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CC1	477112422	PATYFNQAMTUFSJ-KIBZJKDMSA-N	423.441	5.533	30	20	HKED	
Cn1cc(-c2cc(F)ccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cn1	477707549	YZCMCKCWZOCDBB-UHFFFAOYSA-N	412.424	5.142	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	481247574	XBJNVRBVZDQSBD-CZUORRHYSA-N	421.394	5.684	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3cccs3)oc2C)nnc1-c1ccncc1	481341966	IHKJYEYWVBHZLY-UHFFFAOYSA-N	409.540	5.233	30	20	HKED	
C[C@H](CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1	481685069	LMFMCXSOTSQDBO-GOSISDBHSA-N	417.484	5.544	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1	481688030	UXMLOYLUBPGKFT-UHFFFAOYSA-N	403.457	5.249	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1	482339007	ZAIUWROCJKDVNA-HNNXBMFYSA-N	424.472	6.261	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1	483216827	VZFDRWYNMAHXGZ-HXUWFJFHSA-N	404.429	5.092	30	20	HKED	
CCc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1nccc2ccccc12	483978835	KAEDLBIXQRJJIF-QGZVFWFLSA-N	401.853	5.596	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21	486538750	WNHTVXOBVVJOKL-RJSMDTJLSA-N	419.594	6.128	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl	499816175	UTIYJMQPLXJENG-ZENOOKHLSA-N	413.226	5.497	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1cccc(Cl)c1F	502168653	FRSYLSVPVPIGBE-UHFFFAOYSA-N	423.875	5.763	30	20	HKED	
C=CCc1cc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)cc(OC)c1OC	509794505	QYFWJKGPNUFSIE-UHFFFAOYSA-N	419.506	5.061	30	20	HKED	
CCN(Cc1ccccc1C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	510230098	KLMIFNZGNWQWBW-UHFFFAOYSA-N	423.567	5.065	30	20	HKED	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)CCCCOc1cccc(C#N)c1	512734990	VWBRYUOWBPLZOU-UHFFFAOYSA-N	403.457	5.256	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(C(F)(F)F)cn1	513029415	LKXLLJHXOXSCAP-OAHLLOKOSA-N	417.774	5.431	30	20	HKED	
Cc1ccc(-c2nn(-c3ccccc3)cc2CN(CCC#N)Cc2ccccn2)cc1	513717648	QBMKSHGKFWERCT-UHFFFAOYSA-N	407.521	5.159	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	513942942	VMGAWFVFORRWSQ-UHFFFAOYSA-N	424.957	5.701	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1	517352699	CDIKRADVFFSCKY-INIZCTEOSA-N	404.441	5.331	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OCc1nnc(-c2ccc(Cl)cc2Cl)o1	518725196	LQUHOKALLAJOPJ-UHFFFAOYSA-N	410.644	5.156	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12	520167774	YLHZMSUSDPZHCB-UHFFFAOYSA-N	404.407	5.484	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2)nc1	521086021	IAWYYYOIIDPWGJ-VWLOTQADSA-N	419.484	5.459	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H]2CCOc3ccccc32)cc1	522743601	BHQZIEHABFLQAR-FQEVSTJZSA-N	412.489	5.227	30	20	HKED	
CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	524903188	DJRJRHXSMJLEPF-HSZRJFAPSA-N	419.569	6.154	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2ccccc2)[C@@H](C)C1	532972029	LAMGKZBNEDYTGX-QKNQBKEWSA-N	407.583	5.145	30	20	HKED	
CCN(C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)[C@H](C)c1ccc(C#N)cc1	533921828	WMYUTSXGHJHVER-QGZVFWFLSA-N	417.534	5.404	30	20	HKED	
C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541130458	GIFIZTDPERHEML-ROUUACIJSA-N	414.480	5.451	30	20	HKED	
C[C@H](NCc1nc2ccc(Cl)cc2n1C)c1ccc(-c2cccc(C#N)c2)cc1	542186513	VJGUNDNIVMXSKT-INIZCTEOSA-N	400.913	5.616	30	20	HKED	
COc1cc(C)c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC	543856482	INMUBBWBPSRHAW-QGZVFWFLSA-N	400.478	5.042	30	20	HKED	
Cc1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(C)n1Cc1ccncc1	545844999	OBCAPYHDOLHQTG-UHFFFAOYSA-N	420.516	5.017	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	546112144	JREXNROEJSGSIT-FQEVSTJZSA-N	403.448	5.042	30	20	HKED	
COc1cc(C#N)ccc1NC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1	547419433	XMGYAZYHOHVODT-UHFFFAOYSA-N	412.873	5.763	30	20	HKED	
C[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	548162432	ZDPLYLLUAYQIOC-LJQANCHMSA-N	411.505	5.483	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCc1cnc2ccc(C#N)cn12	551547248	HGGAEKWGIVZCCL-ZDUSSCGKSA-N	407.930	5.142	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1	553665389	WXIURUTVXOOIIQ-CQSZACIVSA-N	421.488	6.156	30	20	HKED	
C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1	556596878	SXIQDPYWYOXVHF-SECBINFHSA-N	414.214	5.038	30	20	HKED	
COc1ccc(CCCCCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1	557900562	JHTGVGNVJNVNOQ-HXUWFJFHSA-N	404.432	5.198	30	20	HKED	
Cc1csc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1C#N	570599494	BEBGEZGYKPRERF-UHFFFAOYSA-N	407.442	5.252	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)Nc3ccccc3COCc3ccccc3)CC2)c1	575899775	NWKKALNPJAIQDF-UHFFFAOYSA-N	400.453	5.084	30	20	HKED	
COc1cc(C(C)=O)ccc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N	596012134	HIAIFWDNCGWNEB-CQSZACIVSA-N	414.552	5.023	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)s4)on3)cn2)cc1	603765158	ZSRXIXQXLCCVHS-UHFFFAOYSA-N	422.853	5.368	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3occc3-c3ccccc3)c2)cc1	603921210	PPDVQKUCLPKSQY-UHFFFAOYSA-N	408.457	5.844	30	20	HKED	
CC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F	606706113	BTFJENGWBNPMRS-RBZYPMLTSA-N	418.328	5.188	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3Cc3ccccc3)cn2)c1	609139265	LTWKJYZKYDRIGA-QFIPXVFZSA-N	412.493	5.375	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1N(C)c1ccccc1	609376922	LVGXELRFHRCOBA-SFHVURJKSA-N	401.535	5.959	30	20	HKED	
Cc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)sc2cccc(F)c12	609508875	INFZRSRHFJWZTA-UHFFFAOYSA-N	408.498	5.341	30	20	HKED	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	609556022	RTQBYYXTAGITNL-ZWKOTPCHSA-N	402.608	5.103	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@@H](SC)C2)cc1	609773671	QJLXCGJNLROPSS-PKOBYXMFSA-N	411.527	5.155	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	610089669	DTCCQLWGKSCJIG-HXUWFJFHSA-N	405.527	5.006	30	20	HKED	
COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	610322165	JXZLLZULZPFWST-OAQYLSRUSA-N	415.449	5.004	30	20	HKED	
Cc1cc(CN(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc(C)c1OCC(F)(F)F	610357290	JZGLKYNGXXYXIG-INIZCTEOSA-N	419.447	5.019	30	20	HKED	
CC(C)(C#N)CNC(=O)c1ccccc1SCc1ccc(Br)cc1	611696948	SUIRLFLYCZGRFK-UHFFFAOYSA-N	403.345	5.021	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	613407074	HIRUPLXYWROXIM-ZDUSSCGKSA-N	410.804	5.381	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccc(F)cc3C(F)(F)F)no2)cc1	618399604	SKIISJXMRYFCKQ-QGZVFWFLSA-N	402.351	5.108	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccs1	619855038	HPDSSBPDALAEIE-REWPJTCUSA-N	405.571	5.060	30	20	HKED	
O=C(Nc1cccc(Cl)c1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642428889	XKMLATWMAAFTQX-YUMQZZPRSA-N	406.729	5.510	30	20	HKED	
O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N(CCC(F)(F)F)CC1CC1	674565626	XQNJVXPDCYFAIE-UHFFFAOYSA-N	404.301	5.537	30	20	HKED	
C=CCC[C@H](NCc1csc(-c2cnn(C)c2)n1)c1ccc(C(F)(F)F)cc1	678799519	ZQMSCVUEOCNUPF-SFHVURJKSA-N	406.477	5.360	30	20	HKED	
CSc1c(F)cccc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684761897	YLYZIZIUFKNXAP-MYJAWHEDSA-N	403.363	5.187	30	20	HKED	
COc1cc(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)ccc1O	725827889	ZTPOQMGBHQFUIG-UHFFFAOYSA-N	404.495	5.217	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C[C@@H](C)C1CCCCC1	731079367	ZPNAYLPWPZCPJR-IAGOWNOFSA-N	402.560	5.027	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(CC2CCCCC2)CC1	731114728	WNXCXSVCYLULFA-SFHVURJKSA-N	414.619	5.105	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccs2)cc1	731961931	DSWWSHMUPUMJDS-CJAUYULYSA-N	418.562	5.612	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)c1ccc(F)cc1F	732377728	SUVBFNXQNLDKMV-HNNXBMFYSA-N	421.399	5.251	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)OCc3noc(-c4cccs4)n3)cc2)cc1	732377840	XGGNRXQZOZAHRP-UHFFFAOYSA-N	417.446	5.013	30	20	HKED	
C#CCOc1cccc(NC(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	733844753	BULBWNMCBYZUHS-INIZCTEOSA-N	421.522	5.022	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)c1=S	738283986	HXYFUCSLUGKQJL-SIKLNZKXSA-N	419.598	5.401	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3ccccc3F)oc2C)cc1	739156475	XWSGVUVSYAJZGC-AUUYWEPGSA-N	419.456	5.264	30	20	HKED	
CC(C)C(=O)N(C)Cc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1	741508812	FLZKGDJVGJDZTA-UHFFFAOYSA-N	412.489	5.059	30	20	HKED	
N#Cc1c(Cl)nsc1N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl	742423158	ZRHVBCBHXGJASJ-QGZVFWFLSA-N	418.305	5.294	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1	744031406	WBMWUCGKYLFGRN-SCXUMTSISA-N	422.337	5.108	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN(CC(C)C)C2CCCC2)c1=S	746055840	HOZXNXBLLBCDMK-UHFFFAOYSA-N	400.592	5.134	30	20	HKED	
COc1sc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc1Br	746519271	AYMVSAJBQROCIG-AATRIKPKSA-N	400.297	5.477	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)C(=O)c3cccc(F)c3)n2)cc1	747110219	PKFUOUZRTGBSHR-AUUYWEPGSA-N	422.481	5.043	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccc2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1	749006178	SFSBWZUTTOBMGW-QINSGFPZSA-N	423.559	5.423	30	20	HKED	
C=CCNC(=S)/C(=C(/O)c1ccc(OC(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1	749657219	IUVRETNSHDKXGE-UHFFFAOYSA-O	411.591	5.046	30	20	HKED	
Cc1nn(C)c2ncc(/C=C(/C(=O)c3ccccc3)c3nc4ccccc4s3)cc12	750895878	KJORPZZHIPHZAO-UYRXBGFRSA-N	410.502	5.310	30	20	HKED	
C[C@@H](Cc1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	754530272	DYEOENQXCSIUFW-FZMZJTMJSA-N	409.700	5.173	30	20	HKED	
CCCCSc1ccc(Cl)cc1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1	755148760	RYGQGBBFQXCIHS-HNNXBMFYSA-N	422.959	5.030	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1cc(Br)ncc1F	762426270	OTLIPKAVQXDCEZ-WAYWQWQTSA-N	423.694	5.656	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cncc4ccccc34)n2)cc1	765588205	CLZQVDYBVFICKP-OAQYLSRUSA-N	408.486	5.039	30	20	HKED	
N#C[C@@H](C(=O)/C=C\c1ccc2[nH]ccc2c1)C(=O)Nc1ccccc1Oc1ccccc1	765916950	WFYLXKLFXAGCIC-BUVUWQSRSA-N	421.456	5.321	30	20	HKED	
CC(=O)CCCCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	773982335	FYJBTWDHEVRSMG-MRXNPFEDSA-N	423.365	6.223	30	20	HKED	
CC(=NNc1cnnc(O)c1Cl)c1ccc(Oc2ccc(F)cc2)cc1Cl	774364709	QJFVFHXEZHXVIC-UHFFFAOYSA-N	407.232	5.257	30	20	HKED	
CN(C)[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1c(F)cccc1Cl	778606524	GRSQFJAMVYLBMQ-APPDUMDISA-N	422.312	5.221	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	780585506	OXYPXBOHAGFJQG-HNNXBMFYSA-N	416.412	5.425	30	20	HKED	
CC(C)(C#N)CCCOC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1	783085791	WCGILKZDILAPSO-LADGPHEKSA-N	418.537	5.040	30	20	HKED	
C#CCN(C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1	786844771	SEZHDRNZWIAMJL-UHFFFAOYSA-N	420.340	5.161	30	20	HKED	
Fc1ccc([C@H](CC(F)(F)F)NCc2ccc(Cl)nc2C(F)(F)F)cc1	787278513	FYQIGFZGRBMKCJ-LBPRGKRZSA-N	400.725	5.676	30	20	HKED	
COc1cc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)ccc1Cl	788468364	ULWSRGRDHTWDAH-UHFFFAOYSA-N	403.873	5.042	30	20	HKED	
COc1cccc([C@H](C)CCCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1	789408264	MVIIIFXBYDYNLN-OXQOHEQNSA-N	405.523	5.364	30	20	HKED	
C=CCC[C@H](Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1)c1ccco1	796914322	XXHBRXBPEBKUGP-FQEVSTJZSA-N	403.482	5.634	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\Sc3cc(F)ccc3F)n2)cc1	797944214	AJSCFXACQJTNFJ-XITLMJRVSA-N	423.469	5.442	30	20	HKED	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ccc(C(F)(F)F)c(C#N)n2)cc1	799943348	NYLKIPWIKWQMKI-CYBMUJFWSA-N	420.435	5.170	30	20	HKED	
CC1(C(=O)Nc2ccc(N3CCCC3)cc2)CCN(c2ccc(Cl)cc2C#N)CC1	804198636	QGPPBMBNSPIZCU-UHFFFAOYSA-N	422.960	5.057	30	20	HKED	
C#C[C@@H](NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C)c1ccc(Cl)cc1	810161904	SIEUAPPKMJJGQS-OAQYLSRUSA-N	417.896	5.397	30	20	HKED	
C=C(C)[C@H](NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)c1ccc(F)c(F)c1	811155049	GXANDHIPGFATQT-SFHVURJKSA-N	422.497	5.445	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1ccccc1C(F)(F)F	852186140	CDVATOOZLJTTCV-UHFFFAOYSA-N	406.448	5.941	30	20	HKED	
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915087180	RHYJEGWBZFQMBJ-HSZRJFAPSA-N	409.493	5.228	30	20	HKED	
CCCCCNC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1	916877046	AHROXLBKPHXWKZ-FPISAVPCSA-N	400.931	5.097	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1	916882443	FCNPVRXAYMPJSJ-FQEVSTJZSA-N	408.816	5.233	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)NC1CCCCC1	916895957	YGOCVMRGEOKABC-SIKDUDHDSA-N	412.942	5.239	30	20	HKED	
Cc1ccc(-c2nc(C=Nn3c(S)nnc3SCc3ccccc3)cs2)cc1	918711028	BQPZVYNOWQSXNK-UHFFFAOYSA-N	423.592	5.173	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1	1831368427	YKKIFPFEQOKDFO-JTSKRJEESA-N	416.993	5.094	30	20	HKED	
N#Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(F)c1	10892385	KKAWBWGHDCYUEQ-UHFFFAOYSA-N	414.893	5.148	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(C)c(F)c2)c1	14872305	NDHZEHKXGGEAHJ-UHFFFAOYSA-O	413.925	5.434	30	20	HKED	
C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccc(Br)cc1	24967894	RCMIXDLAAZRSEF-UHFFFAOYSA-N	411.328	5.058	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	49723828	TZDRIVZJEQRSOA-UHFFFAOYSA-N	414.509	5.148	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)sc1Cl	49723848	CXQKSLYNBQQYEU-UHFFFAOYSA-N	404.278	5.675	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)c1	303354693	OKUQZNXLDLXLCV-UHFFFAOYSA-N	423.472	5.967	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3N3CCCCC3)c2)cc1	303619767	MVISVQDSPZMCGO-UHFFFAOYSA-N	411.505	5.380	30	20	HKED	
COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1	427032706	DVQIQNZKQYDGJH-UHFFFAOYSA-N	410.433	5.002	30	20	HKED	
Cc1c(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cccc1-c1ncco1	427443774	WTMVSXOAKXLBRG-HNNXBMFYSA-N	420.538	5.291	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1	430441009	VOEPBSXNOWYHIY-UHFFFAOYSA-N	423.472	5.374	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)s1	430620447	HWQABKBSNDQIRS-GOSISDBHSA-N	403.507	5.183	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc2cc(C(F)(F)F)ccc21	430622358	LGBFFFAKNJQEGU-ZDUSSCGKSA-N	405.445	5.441	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F	432860559	SWQAARBVDWPUTD-APPDUMDISA-N	411.424	5.344	30	20	HKED	
N#C[C@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1ccc(C(F)(F)F)cn1	433101315	AZFHBQMRRKOOPW-FQEVSTJZSA-N	419.406	5.593	30	20	HKED	
CC(C)(c1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1)C(F)(F)F	433693582	JPGBOQXDXPDYSH-VQTJNVASSA-N	400.444	5.438	30	20	HKED	
Cc1ccc(CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Br	437865335	KEBHNUAKVBXONO-CQSZACIVSA-N	403.345	5.333	30	20	HKED	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	438833296	HIQMKXOGVLITSE-UHFFFAOYSA-N	411.502	5.008	30	20	HKED	
C[C@@H](Nc1ccccc1NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1	443535625	UQIZODKEUUQSJO-OAHLLOKOSA-N	411.914	5.186	30	20	HKED	
C=C[C@@H](Cc1nc(CC(=O)Nc2cc(Cl)ccc2Cl)no1)c1ccccc1	445338012	ACIQQWUAKDYXBG-ZDUSSCGKSA-N	402.281	5.070	30	20	HKED	
N#Cc1cccnc1-n1cc(NC(=O)c2cc(Cl)ccc2SC2CCCC2)cn1	461284241	OWAPRQKGESHRRU-UHFFFAOYSA-N	423.929	5.079	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc2ccccc2cc1Cl	463390990	JJBHUOMCBPDONM-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)C2CCC(c3ccccc3)CC2)CC1	463835090	HXSPKDTVEDRUBZ-UHFFFAOYSA-N	402.538	5.338	30	20	HKED	
CC(C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1c(F)cccc1Cl	464172114	WSWWRAGRWHRUQQ-UHFFFAOYSA-N	423.875	5.246	30	20	HKED	
COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)[C@@H](C)c1cccc(C#N)c1	464564695	FPRDHYYKLGUCHG-HNNXBMFYSA-N	404.491	5.124	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1	464823628	QTLDNYDRZAXWKG-ZEQRLZLVSA-N	403.570	5.644	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)cc1	464933215	RCNNFMLEOMONJJ-NRFANRHFSA-N	416.481	5.047	30	20	HKED	
N#Cc1cccc(CNC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)c1	465517904	CGGZDOBQOOWNOF-NRFANRHFSA-N	411.839	5.079	30	20	HKED	
COCc1ccc([C@@H]2CCCN2Cc2cccc(OCc3cccc(C#N)c3)c2)o1	468697863	ZPXFTVVCAOMQQA-DEOSSOPVSA-N	402.494	5.214	30	20	HKED	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F	470153550	TZTDLGWKJRYQQT-JWKOBGCHSA-N	406.729	5.065	30	20	HKED	
Cc1cc(Br)c(F)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	473862423	LKWQJHVIHROYIG-UHFFFAOYSA-N	404.283	5.211	30	20	HKED	
Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2)cs1	474443451	CZJKSDRAASCSNM-QGZVFWFLSA-N	413.593	5.814	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(-c2ccccc2C)noc1C	474783996	NHWGRGHTDFLDDU-UHFFFAOYSA-N	424.460	5.578	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	475556124	OGCNSCSGSZIZEZ-WMZHIEFXSA-N	411.615	5.805	30	20	HKED	
Cc1sc(NC(=O)c2cscc2C#N)nc1-c1ccc(Br)cc1	477177428	NEHHYJDPNNBTJT-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
CC[C@@H](C)n1nc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C	480312997	FVIZFZHTTPRNAL-QGZVFWFLSA-N	417.513	5.452	30	20	HKED	
CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N	480541250	OVTZMRATNMJEEV-AVYPCKFXSA-N	417.962	5.489	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1	483526686	SMOQTQNFPSKVOB-HNNXBMFYSA-N	407.445	5.380	30	20	HKED	
COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	486014357	HTOPEIIUHAPJGD-JOCHJYFZSA-N	412.489	5.206	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1cc2c(F)cc(Br)cc2[nH]1)c1ccccc1	487395852	ZEAHWOGCGISRDY-QGZVFWFLSA-N	414.278	5.234	30	20	HKED	
C=CCn1c(SCc2nc3ccc(F)cc3o2)nnc1-c1cccc(Cl)c1	489630505	FGPLNBRTMVRCSL-UHFFFAOYSA-N	400.866	5.357	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1	490631008	YONBWTXXSHGIJO-UHFFFAOYSA-N	418.280	5.116	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1OCCc2sccc21	494975202	JYLRAVCQTNJYPG-NYHFZMIOSA-N	419.506	5.236	30	20	HKED	
CCn1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1-c1ccccc1	495209629	BQAJRIIFNNGKFG-OAHLLOKOSA-N	406.898	5.323	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)c2)cc1	497800941	WHMPOIFWJICGJX-XZOQPEGZSA-N	418.443	5.352	30	20	HKED	
C[C@@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)c1cccc(C#N)c1	497872053	BILDFNXBKKINGC-FOIQADDNSA-N	416.443	5.059	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)[C@H]1OCCc2sccc21)c1ccc(-c2cccc(C#N)c2)cc1	498947429	LRRWWMZLAIHOLA-WOGXIUBCSA-N	416.546	5.414	30	20	HKED	
Cc1cccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccccn2)c1	499023619	QJQLCUBYZFKCNY-RUZDIDTESA-N	412.537	5.219	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1c(Cl)cccc1Cl	499809338	GVDLHVSVZKJJPO-QGZVFWFLSA-N	414.317	5.534	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	503226692	STNRPJIMLZLVKN-LPHOPBHVSA-N	411.527	5.140	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3occc3CSc3ccccc3)CC2)cc1	504739675	DITUUODXDRWXJP-UHFFFAOYSA-N	418.518	5.127	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12	505313096	STOMPIWYCRWHEX-AWEZNQCLSA-N	402.479	5.323	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(NCC(F)(F)F)c2)c2ccccc21	505797823	XMTMMUCNOHRRJL-UHFFFAOYSA-N	400.404	5.172	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(Br)cc1Cl)c1cccc(C(F)(F)F)c1	505961190	VEZLMDGSTJLUQN-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)ccc2C#N)c(C)c1	510180716	MMDZEKAODHJTAD-GOSISDBHSA-N	401.535	5.665	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1	510370291	XKXNUEMHXBWBET-JKSUJKDBSA-N	422.344	5.812	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F	510506246	OFMAHDRZXBAYBO-INIZCTEOSA-N	419.456	5.689	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)c2)cc1	513551975	VAFFSLWLZSVDOW-HXUWFJFHSA-N	414.427	5.545	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCCCc3cccc(F)c3)c2)cc1	518839133	HDVYIWKBCIHYSR-UHFFFAOYSA-N	417.484	5.225	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1	519913133	IOTFTRAXRQJGHF-QGZVFWFLSA-N	405.523	5.814	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1	520476387	MVAGRUPEYNUYCV-DEOSSOPVSA-N	417.940	5.921	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2)cc1	522307056	DAIYNBWYDAZWDO-UHFFFAOYSA-N	413.502	5.202	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1ccnc2ccccc12	522967190	AIJHQCLWROXVNE-UHFFFAOYSA-N	423.491	5.720	30	20	HKED	
Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	523421660	LIVIHUSNESNZNJ-SZNDQCEHSA-N	422.916	5.353	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)ccc1F	524185119	GGIBQVGIKDXEMN-UHFFFAOYSA-N	401.372	5.411	30	20	HKED	
Cc1ccc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2n1	524634766	RUJNFOJLKDKSPV-UHFFFAOYSA-N	407.473	5.555	30	20	HKED	
COc1cc([C@H](C)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F	527099872	QGJXMYIRMYTPBM-MEDUHNTESA-N	409.345	6.197	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@@H](C)N[C@H](C)c3ccc(C#N)cc3)s2)cc1OC	532206836	WQLWHJHDFARXJH-HZPDHXFCSA-N	421.566	5.343	30	20	HKED	
N#CCC[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1	533038061	NLBHVJGRXHBQSV-OAQYLSRUSA-N	405.429	5.661	30	20	HKED	
C=CCC[C@@H](NC(=O)NCc1c(C)nn(CC)c1C)c1ccc(C(F)(F)F)cc1	533388874	ZWDPNDURUXAAIR-LJQANCHMSA-N	408.468	5.045	30	20	HKED	
CC[C@H](C)n1ncc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C1CC1	534246868	NZZFGSRQOPPTBX-HNNXBMFYSA-N	404.470	5.027	30	20	HKED	
N#C[C@H](C(=O)c1csc([C@@H]2CCCO2)n1)c1nc(-c2ccc(Cl)cc2)cs1	534468105	NNFRXKZYRGFNBR-CJNGLKHVSA-N	415.927	5.262	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	534753324	JGXCIJCQTORGAX-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
COc1ccc(-c2nc(CSc3cccc(Cl)c3C#N)cs2)c(OC)c1	536698973	SKWVJVXBABQCNM-UHFFFAOYSA-N	402.928	5.645	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1	536970155	TXUKRZGZLCFIPO-QHCPKHFHSA-N	424.529	5.271	30	20	HKED	
C=CCN(C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)C1CC1	538963119	GLRFMQUKBCWPBB-UHFFFAOYSA-N	403.404	5.140	30	20	HKED	
CC(C)(C)c1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C#N)s1	539175752	RSUKSEHTJDBWIZ-UHFFFAOYSA-N	402.479	5.229	30	20	HKED	
CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1	539788521	HRNVDXAKZPVGSG-UHFFFAOYSA-N	413.477	5.085	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1	540553864	OVIKZZKTBLIYDC-QGZVFWFLSA-N	416.543	5.139	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1	540722173	PEAOMLSOVFPYLG-AWEZNQCLSA-N	405.498	5.304	30	20	HKED	
CC(C)N(C)CC1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1	543943710	NQXPCFWZGZVUCD-HXUWFJFHSA-N	418.585	5.048	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1	549047721	CNBUZDLNHCFDAU-JTSKRJEESA-N	415.493	5.370	30	20	HKED	
C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H](CCCC#N)c1ccccc1	550830963	NZIAZCFLLNFVIH-OXQOHEQNSA-N	414.347	5.191	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1OC	558339968	BMTHLGXCGAYJNQ-HOCLYGCPSA-N	413.543	5.289	30	20	HKED	
COc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1OC	558339971	BMTHLGXCGAYJNQ-ZBFHGGJFSA-N	413.543	5.289	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c(C)c1	560283395	ZRYLXYHPBKBIHB-XMSQKQJNSA-N	423.582	5.376	30	20	HKED	
CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cnn1-c1cccc(F)c1	564753155	CCXVRFJMTQRFAV-INIZCTEOSA-N	404.470	5.064	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(Br)cc2C(F)(F)F)ccc1C#N	569973250	BQOQSBGSFBROJN-LLVKDONJSA-N	413.237	5.199	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	579335898	XCVWVTQOTBJIKW-UHFFFAOYSA-N	411.383	5.112	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)CCCCCC#N	588158820	QGQLNLKDHPLDRK-CYBMUJFWSA-N	420.376	5.532	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1	603828684	VCHLNVKLAKSFRV-UZUQRXQVSA-N	415.493	5.370	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3sc(-c4ccccc4)cc3C#N)cs2)o1	603968601	FHSFBDDBMQRNOG-UHFFFAOYSA-N	405.504	5.493	30	20	HKED	
N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)cc1	604463465	IHGCPYXWOWQNAZ-UHFFFAOYSA-N	416.477	5.666	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)c1	605338632	NCAKKYKOOIRBNK-IBGZPJMESA-N	408.420	5.170	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Cl)cc1Cl	609403046	OQFIKPQKQIYTSX-ZDUSSCGKSA-N	408.354	5.909	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	609429186	KIRSBSYKPUDDGA-MRXNPFEDSA-N	420.559	5.453	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)CSc2ccc3ccccc3c2)CC1	609508663	WGPVRNRWUXGBBE-UHFFFAOYSA-N	416.546	5.310	30	20	HKED	
C[C@@](C#N)(NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1	609638141	HOOVIYWNAUONPP-FQEVSTJZSA-N	421.488	5.350	30	20	HKED	
COc1ccc(C)c2c1N(C(=O)c1cccc(COc3cccc(C#N)c3)c1)CCC2	609643733	HETDIWMYAKRKDW-UHFFFAOYSA-N	412.489	5.047	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCS[C@@H](c4ccccc4)C3)cn2)c1	609807332	NUZFUDMSNAULNO-OAQYLSRUSA-N	416.506	5.068	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(Oc4nccs4)c3)cn2)c1	609907214	WTJIPJZLUUVHDO-UHFFFAOYSA-N	414.446	5.247	30	20	HKED	
COc1ccc2sc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c(C)c2c1	610221978	YDDKRIXVJSUOQI-UHFFFAOYSA-N	419.531	5.390	30	20	HKED	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccccc1Sc1ccccc1C#N	611549750	ZDKMCRWAUZBJMP-GOEBONIOSA-N	404.457	5.512	30	20	HKED	
N#C[C@@H](C(=O)c1occc1CSc1ccccc1)c1nc2ccccc2n1C(F)F	613404609	UIMHMTVNZFTHMK-INIZCTEOSA-N	423.444	5.807	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1	614930320	VVQNWKUMTMBCDV-UHFFFAOYSA-N	407.392	5.212	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3c(Cl)cc(F)cc3Cl)cn2)c1	617698774	IGIDWMUPGXJOFX-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
C=CCN(C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)c1nc2c(s1)CCCC2	643115070	YERRRBJKVIIZHS-UHFFFAOYSA-N	422.554	5.392	30	20	HKED	
Cc1sc(Br)c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1C	669601493	IBSFQKUSOZAORI-SNVBAGLBSA-N	409.305	5.366	30	20	HKED	
C=CCn1c(S[C@H](C)c2nccn2-c2ccccc2)nnc1-c1cccc(OC)c1	672362532	KDCGUEGMXQNXEX-QGZVFWFLSA-N	417.538	5.179	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1CC(C)C	677378201	ZYPRRTJYXFMLLS-ZDUSSCGKSA-N	420.460	5.220	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	679090626	FBVWCXLXSWFWBV-OAHLLOKOSA-N	411.408	5.360	30	20	HKED	
C=CCSc1ccccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	681591942	YFCSKKVJAUWPCC-RYUDHWBXSA-N	411.411	5.604	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1	682989806	OABJZDYQTAZLNU-QGZVFWFLSA-N	421.378	5.707	30	20	HKED	
CSc1cccc(F)c1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	684892130	WCRJWRBVHJSTHT-MYJAWHEDSA-N	403.363	5.187	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1c(Cl)cccc1Cl	726321934	CGVUZGOSFCAZGN-GXSJLCMTSA-N	409.725	6.236	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1	726762897	QITSWRWQBDBVSZ-UHFFFAOYSA-N	423.925	5.419	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](OC3CCCC3)c3ccccc3)n2)cc1	727039778	ZGTUXPNJAUTOSY-QPPBQGQZSA-N	416.546	5.995	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cccc2ncccc12	728062339	JGPSVWMNTCWELW-SFHVURJKSA-N	422.488	5.125	30	20	HKED	
N#C[C@@H](NC(=O)/C=C/c1ccc(Cl)s1)c1ccc(OCc2ccccc2)cc1	729369489	GMEPSSPJHOJYSM-VSFZPWCASA-N	408.910	5.375	30	20	HKED	
CC(C)c1[nH]nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1Br	730276991	VPWYKAJGADIBIW-QGZVFWFLSA-N	423.314	5.203	30	20	HKED	
COc1cc(CNC(C)(C)c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1	735078682	RFDUKFIFFNJGRE-UHFFFAOYSA-N	404.485	5.310	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCCCc1nc(-c2cccs2)no1	735320483	USGXLGYVHPVDTA-UHFFFAOYSA-N	405.932	5.220	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(-c4nccs4)cc3)c2)s1	740430333	GALXDAKDEYCMGR-UHFFFAOYSA-N	416.531	5.732	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C1	753159630	NIXDQENAASLFRV-QFIPXVFZSA-N	407.564	5.354	30	20	HKED	
FC(F)(F)c1ccccc1ON=Cc1cn(-c2ccc(Cl)cc2Cl)nn1	755816358	PCAHENUKUFUINP-UHFFFAOYSA-N	401.175	5.006	30	20	HKED	
C#CC[C@@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1ccccc1	756776381	OKXBMHGSUNVMPA-SJKOYZFVSA-N	423.148	5.332	30	20	HKED	
C=C[C@@H](CC(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1	758909505	CWQOSJBHKGLBEV-ZDUSSCGKSA-N	403.265	5.447	30	20	HKED	
C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)C1	766529968	KILJDDIUYDZCOQ-GOEBONIOSA-N	407.898	5.214	30	20	HKED	
N#CCOc1ccc(Cl)cc1COc1cccc(CNC(=O)Nc2ccccc2)c1	766762287	PLKXFMFHLNXSRH-UHFFFAOYSA-N	421.884	5.143	30	20	HKED	
CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)cc2)C1=O	771903135	ITNDGMAGKDGCNY-BJKOFHAPSA-N	409.489	5.262	30	20	HKED	
CN(CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	772642903	ZUJOWMRNCMIYCS-INIZCTEOSA-N	416.333	5.430	30	20	HKED	
C[C@H](N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1ccc(OCC#N)cc1	776171763	PVTGDWGGACTKGY-RBZFPXEDSA-N	408.851	6.063	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cscn1	776192291	NXSOQXCTBUONEW-DAXSKMNVSA-N	403.290	5.598	30	20	HKED	
CC(C)[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)N1CCCCC1	778606504	GOVGQWXLIICIHS-YOEHRIQHSA-N	409.477	5.002	30	20	HKED	
Cc1ccc(Sc2ncccc2C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)c1	780151828	BPWOHLUEDXAJLP-KRWDZBQOSA-N	403.507	5.393	30	20	HKED	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	782774989	XELZZBFKYYWRNA-GOSISDBHSA-N	410.587	5.589	30	20	HKED	
N#Cc1ccccc1NC(=S)Nc1ccc(C(F)(F)F)c(Br)c1	787199716	OCXOIYSOSIAHJF-UHFFFAOYSA-N	400.223	5.148	30	20	HKED	
CSc1ccc(C(=O)/C=C/c2ncc(I)s2)c(Cl)c1	794699887	CWTHSCKCUTWWLZ-SNAWJCMRSA-N	421.712	5.019	30	20	HKED	
C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1C	796806160	UHZWPLBDZYZIKQ-GDBMZVCRSA-N	415.415	5.284	30	20	HKED	
N#C[C@@H](C(=O)Cc1csc2ccc(Br)cc12)c1cnc2ccccc2n1	796899285	JJEYNRSJWNPUBM-OAHLLOKOSA-N	422.307	5.026	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(Cl)c2SC(F)F)CC1	800534931	WRZYTLHITXLTBK-UHFFFAOYSA-N	422.888	5.139	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(C)n1[C@@H](C)c1ccccc1	813218567	XMNOQWWJWDZBMX-YWZLYKJASA-N	411.427	5.618	30	20	HKED	
COc1cc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(F)F	818238637	MIVONXKUHCWNTL-VULZFCBJSA-N	401.365	5.035	30	20	HKED	
CCOc1ccc(-c2nc(COC(=O)CSCc3ccc(C#N)cc3)cs2)cc1	916425981	BSRVQJIKAAWPEV-UHFFFAOYSA-N	424.547	5.057	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl	916925327	IUYCVVBEOFTDEY-CYBMUJFWSA-N	412.898	5.223	30	20	HKED	
CCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	916996469	MUPNUVJSRVWFHB-CYBMUJFWSA-N	407.347	6.231	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(F)F	917143953	ZBEFFIWUXYRWHK-FARCUNLSSA-N	401.178	5.094	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)CCC2)C1	1790341713	NVRJLQNKGUVZDS-UHFFFAOYSA-N	424.928	5.063	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)C1	1823699784	BAOQPWNZMPXEHF-RUZDIDTESA-N	416.565	5.039	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1)=C(/S)Nc1ccc(C)c(C)c1	11160079	HVNYRGUEKQDRCF-UHFFFAOYSA-O	407.534	5.343	30	20	HKED	
Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3sc4c(c3C#N)CCC4)cc12	14500139	UKORLJFPIFIRQA-UHFFFAOYSA-N	418.547	5.129	30	20	HKED	
C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2c(c1)OCO2	42060631	BQEWETWLNVGNSK-INIZCTEOSA-N	416.502	5.070	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C	48372374	QDVBRYNQNYVIQT-UHFFFAOYSA-N	405.523	5.529	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1OCc1cscn1	61438519	GCVUJRJAZKHYJH-UHFFFAOYSA-N	404.944	5.265	30	20	HKED	
CCCCCn1c(SC[C@@H](C#N)CCC#N)nc2sc3c(c2c1=O)CCCC3	61727194	FJXDTTCCIBISID-OAHLLOKOSA-N	414.600	5.063	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1OCCc1ccccc1	63390726	UYKNVUZAZSHYSD-UHFFFAOYSA-N	411.505	5.400	30	20	HKED	
Cc1c(C#N)c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc2c1CCC2	63533978	QAPBTIRBMPVRTH-UHFFFAOYSA-N	417.321	5.400	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1	65869962	SGPDBARWVROTDC-UHFFFAOYSA-N	421.500	5.292	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cccc(OC(C)C)c1	66022042	YDPWEGUCJDDQHM-UHFFFAOYSA-N	401.466	5.022	30	20	HKED	
C=CCOc1ccc(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc1OC	72018598	PBRPNDYQPFDCSR-OAHLLOKOSA-N	408.523	5.183	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1	208003083	HLHUXEYXCMBUND-UDPFGDFPSA-N	417.412	5.079	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1SCc1ccc2ccccc2n1	216107577	GTTIQRAXQZUYNO-UHFFFAOYSA-N	406.486	5.023	30	20	HKED	
CSc1ccsc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	409844759	SPVOWDSIOKBXHN-UHFFFAOYSA-N	400.912	6.040	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCOC4(CCC4)C3)cc2Cl)cc1	426079089	LLCNJZWSYRZUOE-QGZVFWFLSA-N	411.889	5.227	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccc(C#N)cc3Cl)c2)cc1	426151723	YPOGXJPIQBHCLV-UHFFFAOYSA-N	418.884	5.094	30	20	HKED	
N#Cc1c(F)cccc1CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1	428377177	XGNFDLQGUTVGEA-UHFFFAOYSA-N	416.496	5.072	30	20	HKED	
N#CCCn1ncc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1-c1ccccc1	428944381	HGNMPJYIQZJJNO-UHFFFAOYSA-N	418.928	5.137	30	20	HKED	
CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(C)c1	432769696	SZCXUKKVUFLFEH-AVRDEDQJSA-N	406.530	5.080	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCC(C(F)(F)F)CC1	435729310	AFRPPUINIINTHK-UHFFFAOYSA-N	416.443	5.753	30	20	HKED	
Cc1oc(C#N)cc1C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	437176435	MELIONSDDQDTQC-UHFFFAOYSA-N	409.854	5.767	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1	438049482	BBECXIRZFUOLTI-KBXCAEBGSA-N	403.935	5.243	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@]3(CC=CCC3)C2)cnn1-c1cccc(C#N)c1	439684434	LDBOUBKVRDWVGQ-XMMPIXPASA-N	403.530	5.051	30	20	HKED	
C[C@H](NCC1CCC(C#N)CC1)c1ccc(Br)cc1Br	442877476	UPJMOPAQVVLEOP-HIFPTAJRSA-N	400.158	5.192	30	20	HKED	
CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nc2ccc(Cl)cc2s1	443863491	WXXHLOWVWPRZJF-UHFFFAOYSA-N	421.913	5.003	30	20	HKED	
Cc1ccc(C)c([C@@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@H](C)CO2)c1	444243862	IVLCUBRLAJFWCV-NLFFAJNJSA-N	415.537	5.164	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C1CC1)[C@H](C)c1ccco1	444384361	RHQWFNXYDIQEKR-QGZVFWFLSA-N	401.466	6.010	30	20	HKED	
CCc1c(NC(=O)[C@@H](C)c2cccc(C#N)c2)cnn1-c1ccc(C(F)(F)F)cc1	462323187	GQMDJISYOLLADN-AWEZNQCLSA-N	412.415	5.067	30	20	HKED	
N#Cc1cc(NC(=O)CCC2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1	464298624	UNDBVKMKGBCHII-UHFFFAOYSA-N	418.415	5.515	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1	470728426	VGHMVNHGEHPUPB-FQEVSTJZSA-N	422.513	5.080	30	20	HKED	
CN(C(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(-c2ccccc2)nn1	472023953	BPIRRBGJCCBKRH-UHFFFAOYSA-N	422.513	5.443	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1	472496881	IWUXDOYCZKVELQ-OAQYLSRUSA-N	411.958	5.592	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1Cl	473778732	MPDGSKAJAXHURH-CZAYHTPWSA-N	409.917	5.075	30	20	HKED	
COCCC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCCC1	473787446	RVRXBKYAMPFSKQ-UHFFFAOYSA-N	423.513	5.078	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(CC=C)c(OC)c(OC)c1	475557362	AHZOBPZRLFIGIK-UHFFFAOYSA-N	408.542	5.606	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1	476657771	IVTYTPQSUVVLDS-INIZCTEOSA-N	412.358	5.123	30	20	HKED	
C=C(C)[C@@H](NC(=O)N1CCC(OCCc2ccccc2)CC1)c1ccc(F)c(F)c1	477729536	RUDIZBAYOZGFPH-HSZRJFAPSA-N	414.496	5.015	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1Cl	480725823	ZDXCIFZMCFUXTL-CQSZACIVSA-N	418.777	5.804	30	20	HKED	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	482393350	DVKRHYMPEBQRNJ-XXFAHNHDSA-N	408.317	5.249	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1	482936078	XDKCVOAFVLXANW-NZQKXSOJSA-N	421.541	5.161	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(NC(=O)c2ccoc2)c1	499621643	UFDZEGWKDPDJSH-UHFFFAOYSA-N	407.429	5.323	30	20	HKED	
N#CC1(CCCN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCOCC1	499703021	GGDDPQNMLUIRMO-MRXNPFEDSA-N	408.386	5.389	30	20	HKED	
CCCC[C@](C)(NCCCC1(C#N)CCOCC1)c1cccc(Br)c1	499772207	LGXORXSSDVUDAS-FQEVSTJZSA-N	407.396	5.545	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)c2)cc1	506647016	FJLSZZGNPIZPLL-ZWKOTPCHSA-N	402.416	5.249	30	20	HKED	
CN(Cc1ccccc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509901271	UUVBJECRHFNMBN-UHFFFAOYSA-N	419.912	5.649	30	20	HKED	
CCCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1OC	512562794	AKXGUYCWZWUGMX-UHFFFAOYSA-N	416.905	5.439	30	20	HKED	
CC(C)n1c([C@@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)nc2ccccc21	512694736	XKXABRDPNNFTCU-QGZVFWFLSA-N	406.917	5.162	30	20	HKED	
CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	513677468	XHSSYTNIVQVRTP-OAHLLOKOSA-N	408.483	5.099	30	20	HKED	
N#CCCCOc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1	515715699	HPJFGMGYHBLBKA-VWLOTQADSA-N	409.489	5.887	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N	517472883	DSDPTQQREVBVAZ-INIZCTEOSA-N	401.963	6.034	30	20	HKED	
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	518181990	CJYCPSLBJQDRHF-UHFFFAOYSA-N	419.504	5.113	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccco2)on1	520817732	JJGZTZHQPHXCBA-CQSZACIVSA-N	413.524	5.058	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2ccccc2Cl)CCOCC1	521733146	AAJCRMZIUGDFAZ-MRXNPFEDSA-N	414.958	5.279	30	20	HKED	
CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1S[C@H](C)CC#N	521796262	ATKMVKRXAMWNQM-QGZVFWFLSA-N	420.538	5.308	30	20	HKED	
N#C[C@H](C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	521849589	QBAUEDKWAZBERX-OAHLLOKOSA-N	401.806	5.001	30	20	HKED	
COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)sc2C)cc1	522828644	SILBWQPYDSUYDF-GOSISDBHSA-N	401.491	5.407	30	20	HKED	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@H](C#N)c1nc2ccccc2s1	523245005	OPYGOIKNTXTXDA-AWEZNQCLSA-N	407.882	5.239	30	20	HKED	
CC[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(C)noc1C	523448083	FRECXXBJGGLDJP-QFIPXVFZSA-N	403.482	5.069	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CCCCOc1ccccc1C(F)(F)F	524147028	NDKAPPYGXFDEOG-UHFFFAOYSA-N	400.404	5.003	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](CC)c1ccc(F)cc1F	531169929	SCTDFFVCUZPHRS-IBGZPJMESA-N	406.546	5.014	30	20	HKED	
N#Cc1ccc(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)nc1	534274033	VVPHCEMCCBNALM-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cccc2c1CN(c1nccs1)C2)c1ccccc1	534759846	CRZDSGVZNKFPHR-HXUWFJFHSA-N	404.539	5.492	30	20	HKED	
N#CCCn1cc(CN2CCC(CCc3ccc(O)cc3)CC2)c(-c2ccccc2)n1	535069995	WCLHBVDDUHOBQD-UHFFFAOYSA-N	414.553	5.014	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1	535583614	UDLVBXMDBHIAHM-HXUWFJFHSA-N	408.501	5.108	30	20	HKED	
C=CCC[C@H](NCc1nc(Cc2cccc(Br)c2)no1)c1ccccc1	537156789	YQCKPZGLTFYIKC-IBGZPJMESA-N	412.331	5.220	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1	538436832	VPCXJYNJJMYSQL-RDJZCZTQSA-N	414.962	5.135	30	20	HKED	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1Cl	538529375	CMOYBNYZTPPAPK-INIZCTEOSA-N	421.928	5.162	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NCc2cccc(OCCCC#N)c2)cc1	539530777	NTYOUMSQFAWZPU-HXUWFJFHSA-N	400.522	5.896	30	20	HKED	
COc1ccc(-c2noc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)cc1	541084862	BUMDKROWEBVDKA-QGZVFWFLSA-N	410.477	5.135	30	20	HKED	
CC1CCN(CCc2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2)CC1	543311571	NFSSQPXLQIUKNU-UHFFFAOYSA-N	416.569	5.029	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(Cl)c1F	545475274	FOSUCTJOEVSSNX-UHFFFAOYSA-N	420.790	5.895	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(Br)c1Cl	549053805	RGHRVOOXHSMYTD-UHFFFAOYSA-N	409.711	5.331	30	20	HKED	
C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cccs2)CC1	549958627	RJKHHQYGDOUYKI-MRXNPFEDSA-N	412.534	5.069	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c1	552158286	KUJPRSJIPCUFPV-OAHLLOKOSA-N	405.281	5.065	30	20	HKED	
C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1cc(Cl)ccc1Cl	557333363	ZYUHDIXVFNQHNM-SNVBAGLBSA-N	424.353	5.040	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	572433157	KLOLKIONMRPVLT-UHFFFAOYSA-N	417.465	5.046	30	20	HKED	
CSC[C@@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(C)cc1	577478453	LSNVXXOJUKLMMG-HSZRJFAPSA-N	421.591	5.090	30	20	HKED	
COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl	579382521	XIBMPORWDJQGBP-UHFFFAOYSA-N	414.836	5.625	30	20	HKED	
CCCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1cccc(C)c1	580032819	WVLDEIPHKGXCGX-OAQYLSRUSA-N	401.514	5.300	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c(F)c1	580226287	WBOMPWPJZRHEFI-UHFFFAOYSA-N	400.453	5.048	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1)[C@H]1C[C@@H]1C	581091188	CVQXWVSUTQEDDR-RBZFPXEDSA-N	403.507	5.095	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1c1ccc(F)cc1F	603054184	LUVOCLFITQBZHF-JSHFXDGISA-N	415.324	5.094	30	20	HKED	
COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1	604027196	NCCFFLRCMWVDIY-UHFFFAOYSA-N	412.854	5.104	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cn1	608936308	ZJRSTOBLFCWHQE-UHFFFAOYSA-N	424.273	5.010	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)o2)cc1	609054589	ZNINFNWNVRCEIG-UHFFFAOYSA-N	408.457	5.250	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2	609378834	VSMBUAVWXKNMQK-UHFFFAOYSA-N	416.550	5.535	30	20	HKED	
CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2SCCC#N)cc1	609379842	LLDMLNLYFIXZJC-UHFFFAOYSA-N	404.557	5.062	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1	609384749	OSSVPOJDSNLWSP-GOSISDBHSA-N	417.534	5.781	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1	609398557	BLISAIJTPQEBGP-KKLQWCBXSA-N	423.582	5.570	30	20	HKED	
COc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	609433859	NROBIKBLGOAHAZ-OAQYLSRUSA-N	415.449	5.004	30	20	HKED	
N#Cc1cccc(-c2nnc(CS[C@@H](c3ccccc3)c3ccc(Cl)cc3)o2)c1	610216974	VVORUOJQGFORLQ-QFIPXVFZSA-N	417.921	6.284	30	20	HKED	
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1	610295360	IXFCFYQNWIYOTJ-NRFANRHFSA-N	418.884	5.006	30	20	HKED	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	610322164	JXZLLZULZPFWST-NRFANRHFSA-N	415.449	5.004	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1	610355822	DHJCOHUKYUSXLV-RTBURBONSA-N	413.521	5.697	30	20	HKED	
C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccc(C#N)c1	610361457	DOUJDAUFUAZXOS-CQSZACIVSA-N	421.840	5.403	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)c2)cc1	610966790	JUQBMSATUAHXMG-UHFFFAOYSA-N	403.392	5.299	30	20	HKED	
N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1	611482787	FRRCQYFUOWIRNY-VWLOTQADSA-N	416.546	5.163	30	20	HKED	
Cc1sc([C@@H](C)NC(=O)N2CCC[C@@](C)(C#N)C2)nc1-c1ccc(Cl)cc1	612141799	AMXLSAAJLYWFRD-XCLFUZPHSA-N	402.951	5.168	30	20	HKED	
N#C[C@@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nc2ccccc2s1	613289583	RXFVZLLRZMFUGB-KRWDZBQOSA-N	412.518	5.376	30	20	HKED	
COc1ccc(C[C@H](NCc2ccc(C#N)c(Cl)c2)c2ccc(OC)cc2)cc1	619754952	PDCKDLSSCURSCF-DEOSSOPVSA-N	406.913	5.302	30	20	HKED	
C=CCOc1c(Cl)cc(CNc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC	630067273	BRSDAHJVGXBVIG-UHFFFAOYSA-N	422.912	5.778	30	20	HKED	
CC(=O)c1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)nc1C	681635109	ANODYKJTZGLXCI-OAHLLOKOSA-N	417.412	5.020	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cc(Cl)c(O)c(OC)c3)s2)cc1	727975132	QDVXRMKXIXIUIK-WTKPLQERSA-N	415.898	5.391	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(C)n1-c1ccc(C#N)cc1	728267268	GFWBACDMVPUUCZ-FQEVSTJZSA-N	424.504	5.127	30	20	HKED	
CON=Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	729319713	NYNOHFYDDJUZAE-NRFANRHFSA-N	403.869	5.228	30	20	HKED	
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	729568655	YHCMDYNDJINACM-UHFFFAOYSA-N	423.582	5.833	30	20	HKED	
COCCOc1ccc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cc1	730464503	SELTTYAOGSXFGF-YWEYNIOJSA-N	401.256	5.117	30	20	HKED	
CC(C)c1cccc(O[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)c2ccccc2)c1	730689424	GQHLONWTDVZZRG-SQJMNOBHSA-N	410.473	5.948	30	20	HKED	
Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)nc1	733635990	DSLXFROEULPFKR-UHFFFAOYSA-N	400.482	5.497	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)ccc1OC	733657671	XTRHIERODCMWIL-LEWJYISDSA-N	413.562	5.021	30	20	HKED	
C[C@@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	734062389	RFFYKNVSVQSNHX-XUZZJYLKSA-N	419.912	5.025	30	20	HKED	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	735115887	RZLQPATUQSYRFM-CQSZACIVSA-N	422.868	5.209	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)ccc1OCC(F)(F)F	741472348	HDWRNTGSBWXYIP-FNORWQNLSA-N	413.395	5.594	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)cs1	741845191	YMEYROAWHNEWQW-TWGQIWQCSA-N	414.474	5.066	30	20	HKED	
C/C(=C/C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1	742639038	RTSLWSKMMNOPJP-VBKFSLOCSA-N	414.427	5.050	30	20	HKED	
COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1C#N	743282061	IWXVVFPCIIQKJZ-UDWIEESQSA-N	402.500	5.126	30	20	HKED	
CCCCCCCOc1ccc(C=Nn2c(S)nnc2[C@@H]2CCCCO2)cc1	743452385	QBGGJDWFRDKGMW-IBGZPJMESA-N	402.564	5.040	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1C(F)(F)F	744062251	HRIJKWMKKVGEOP-IUODEOHRSA-N	401.413	5.204	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)ccc1OCC(F)(F)F	745990108	KBOIZDFVVUOPFM-WAPJZHGLSA-N	413.395	5.594	30	20	HKED	
CSCc1cc(F)ccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	755776520	OKGXLQGEGYOHDV-QHCPKHFHSA-N	419.525	5.666	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1	760797751	VKQQWRNVPPLJKN-UHFFFAOYSA-N	409.467	5.319	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3ccc(CSc4ccccc4)cc3)CCO2)c1	762314525	XTDCFTOUVAMNAW-XMMPIXPASA-N	414.530	5.064	30	20	HKED	
N#CCCCn1cc(C(=O)OCc2nc3ccccc3n2C(F)F)c2ccccc21	769543303	IYZBFSKPIZMTAC-UHFFFAOYSA-N	408.408	5.047	30	20	HKED	
Cc1c(NCc2cccc(OCc3cccc(C#N)c3)c2)cccc1N1CCOC1=O	770604380	ZYLGFOIYGBEUBG-UHFFFAOYSA-N	413.477	5.014	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)N(c1ccccc1)c1ncccc1Br	774154375	SOMPZXVBVCCNCW-SEYXRHQNSA-N	404.267	5.094	30	20	HKED	
N#Cc1cc(N[C@@H]2CCCc3c(Cl)sc(Cl)c32)ccc1N1CCC(O)CC1	777119065	YRRNGANFBVNDAZ-MRXNPFEDSA-N	422.381	5.377	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCCCC2)n1	779189435	PSCPIWSOWSPJBW-MRXNPFEDSA-N	403.345	5.292	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cccnc1SCc1ccc(F)cc1	780146322	AYFNOWVATHBVRO-OAHLLOKOSA-N	407.470	5.056	30	20	HKED	
Fc1ccc(CON=Cc2ccc(OCc3ccncc3)cc2)c(Br)c1	780286669	FYFFKYPJOZDDCX-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
N#CC1(COC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1	780547734	SILDSUJMHSIFJI-NRFANRHFSA-N	415.942	5.026	30	20	HKED	
COc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1Cl	782230979	JHXJTUASERDAPQ-UHFFFAOYSA-N	403.873	5.042	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cn1)c1ccc(Oc2ccc(Br)cc2)cc1	783293437	HOHPREQZGBZFBN-OAHLLOKOSA-N	408.299	5.359	30	20	HKED	
C[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccccc1	785489087	SAECJJSYEGXHKV-CVDCTZTESA-N	418.500	5.491	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC2CCCCC2)cs1	786042092	KEBHTQFIMQTKJC-UHFFFAOYSA-N	410.465	5.103	30	20	HKED	
COC(=O)CCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	786211256	AZPXQHHVYGGHEA-UHFFFAOYSA-N	416.502	5.067	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](O)c1ccccc1	788570332	DQRXJNJLTSWSJN-DSITVLBTSA-N	413.521	5.222	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1	789455908	FHINQYQZCSAAAR-UHFFFAOYSA-N	421.541	5.277	30	20	HKED	
C#CCCOc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1	790622109	IXFSHOQFPIHFTN-HSZRJFAPSA-N	417.471	5.365	30	20	HKED	
N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1nccc2ccccc12	792090265	CSQSJKWMWYMWAN-RDGATRHJSA-N	412.489	6.084	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)s1	797573995	ZTKPQPXNLPTMAX-CQSZACIVSA-N	415.465	5.183	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)c(Cl)c1	801070695	NEWHLSRXBYHOGT-UHFFFAOYSA-N	420.296	5.142	30	20	HKED	
N#CCCCCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1	805168819	OAQUUANJFVSCJF-UHFFFAOYSA-N	424.976	5.075	30	20	HKED	
Cc1nn(-c2ccccn2)c(C)c1/C=C\C(=O)c1c[nH]c2ccc(Br)cc12	811698420	QMTWDQYZXRXCRV-CLFYSBASSA-N	421.298	5.024	30	20	HKED	
N#CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	814272629	PNNWAEBQUNUYGE-SXGWCWSVSA-N	421.330	5.302	30	20	HKED	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OC(C(F)(F)F)C(F)(F)F	816219128	SSMROJHUOHTGLZ-UHFFFAOYSA-N	420.231	5.054	30	20	HKED	
CCCOc1ccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915087982	FYVYUUGWPDOLJX-XMMPIXPASA-N	400.478	5.148	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1	915352856	ODEOCWCHZXMKIV-FGZHOGPDSA-N	417.509	5.840	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(F)cccc2s1	916887185	MZBXVCDAIVGLIW-CYBMUJFWSA-N	420.437	5.316	30	20	HKED	
Cc1cc(C)c(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C	916906562	DPVJFEVQSOOWQE-ZVQQDINOSA-N	424.500	5.765	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(-c3nccs3)c2C)cc1	916953476	CLWKXAXHGNFIDI-VLIAUNLRSA-N	420.538	5.025	30	20	HKED	
COc1ccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2c1	916974791	QTZWGEWKFOJRJH-IBGZPJMESA-N	401.491	5.027	30	20	HKED	
Cc1oc(-c2cccs2)nc1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	917046426	JYSKXDAAADCDBX-LBPRGKRZSA-N	413.911	5.394	30	20	HKED	
C=C(C)CNC(=S)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F	917586980	IXZDRDZLWRBAIK-UHFFFAOYSA-N	411.315	5.185	30	20	HKED	
Cc1oc(-c2cccs2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	920142343	OQKGTBLKOVSFNM-OAHLLOKOSA-N	416.487	5.197	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)Cc2ccccc2Cl)cc1C	920855163	YANCBYAZDRJSCZ-GOSISDBHSA-N	420.944	5.095	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1	1791590213	UZYNLXRLPRPOKX-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1	1820592394	RBHBPAPVCOUZJB-UWJYYQICSA-N	408.546	5.051	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1	33245916	FTMIKLSWMOEMSV-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
CC(C)OCc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)oc2ccccc12	55424571	VMJIKJKNKFNKBX-UHFFFAOYSA-N	415.411	5.158	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccccn3)cc2Cl)cc1	56726657	VGDUQFLBMTUCKW-OAQYLSRUSA-N	418.884	5.768	30	20	HKED	
N#CCCCOc1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1	59770522	QEXHDJFJYCTWAL-UHFFFAOYSA-N	404.466	5.012	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(-c2c(F)cccc2F)cs1	64715424	GAMCOHGYPFRUTJ-CQSZACIVSA-N	407.401	5.233	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccccc1OC(F)(F)F	78720026	KHAPBHHRKMUJSW-AWEZNQCLSA-N	408.445	5.551	30	20	HKED	
N#CCCCOc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1	110398583	JKMZLWWBHDQURZ-NBVRZTHBSA-N	424.913	5.210	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccccc4)CCCC3)s2)cc1	215653091	LRIZPMODWRMLBP-UHFFFAOYSA-N	420.563	5.153	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1cccnc1	302954275	CQFHDIBLUZRYOM-CYBMUJFWSA-N	406.433	5.278	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CCc1cccc2ccccc12	303370362	JUTGVAUUMSQUTJ-IBGZPJMESA-N	417.578	5.205	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(COc2ccccc2C#N)c1	303591074	SADDGGVXFJGOFP-UHFFFAOYSA-N	409.489	5.061	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	409760536	KJDZJMBNQHWPQA-OAQYLSRUSA-N	410.832	5.118	30	20	HKED	
C[C@@H]1CCCCN1Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	410338187	RSDWUEAZXQUIDR-LJQANCHMSA-N	404.558	5.184	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc2c(cc1Cl)CCC2=O	429496518	WCVCOCAINDAUEM-UHFFFAOYSA-N	409.791	5.305	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)[C@@H]1OCCc2sccc21	429813164	QSBZVRJEIBLJHO-MWTRTKDXSA-N	418.518	5.609	30	20	HKED	
N#CCCn1cc(CNc2cccc(COC3CCCCC3)c2)c(-c2ccncc2)n1	433337866	DVHUACHJDSKGNS-UHFFFAOYSA-N	415.541	5.320	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3NCc3cccnc3)c2)cc1	434082087	VIPFSQARZRKCGT-UHFFFAOYSA-N	420.472	5.610	30	20	HKED	
CSc1c(F)cccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	435704769	KVUOPCFMLODQQW-UHFFFAOYSA-N	406.482	5.559	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1	437467194	MSGOGRRCODDGAQ-UHFFFAOYSA-N	407.539	5.100	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3C[C@@H]3Cc3ccccc3)c2)cc1	437740056	AZAZQBXKHZQOFY-DHLKQENFSA-N	411.505	5.084	30	20	HKED	
C=C(C)[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(F)c(F)c1	437809305	JURWAWHIPVFNMX-LJHODMEESA-N	408.395	5.039	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1	439653576	YFUVXAVPLXTZEC-INIZCTEOSA-N	421.349	5.293	30	20	HKED	
N#CCC[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	439661743	OOTICWOARRZRIG-INIZCTEOSA-N	417.456	5.409	30	20	HKED	
CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	444342338	MEKQCBNHRRPVFP-UHFFFAOYSA-N	416.912	5.094	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1	444413958	PDFGJJJWAQATJS-UHFFFAOYSA-N	400.194	5.285	30	20	HKED	
N#C[C@@H]1N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC[C@@]12CCCCO2	448262762	ZRGUVEFPCDZXNM-IRXDYDNUSA-N	406.370	5.151	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)c3ccc(C(F)(F)F)cc3)o2)cc1	460879457	IDDGMBGCGADOTN-UHFFFAOYSA-N	420.412	5.295	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1SCCc2sccc21	463484085	KTIAZWLFPPHCOJ-QFIPXVFZSA-N	420.559	5.476	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1cc(C(F)(F)F)ccn1	464426738	KLSTXYCCQWWSLO-MRXNPFEDSA-N	415.802	5.669	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	464448339	VQUGFQGRTXFSJV-CYBMUJFWSA-N	404.869	5.281	30	20	HKED	
CCCCOc1ccc(-c2nnc(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)o2)cc1	464825699	XZNOPWISQCKRSJ-PKTZIBPZSA-N	416.525	5.187	30	20	HKED	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	464943514	ZSYDHOBKQIONNX-RTWAWAEBSA-N	419.525	5.093	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cc1	465143170	FMKFUMKKVWIOPF-UHFFFAOYSA-N	424.422	5.884	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccccc1F	466610695	QVCZZGRKCRSPPE-HNNXBMFYSA-N	421.501	5.482	30	20	HKED	
CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1	470791546	CLZBHXGIYBOYGL-UHFFFAOYSA-N	401.514	5.119	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccnc3C(F)(F)F)cc2Cl)cc1	473145330	RFBRFYQBMGNZAI-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CCC(F)(F)CC1	474262235	ASTRQPAAIRVRTP-CYBMUJFWSA-N	403.313	5.641	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1	475616295	FVDZNHVGOFRRLL-IXDOHACOSA-N	415.990	6.390	30	20	HKED	
C=C(C)[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(F)c(F)c1	475676435	JTVPWZHTIMCLPU-NRFANRHFSA-N	414.477	5.287	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1	476146278	LOBYOOVBJGXHSE-UHFFFAOYSA-N	419.525	5.053	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1	477534828	ABUKKPUECCUSSA-QZTJIDSGSA-N	411.546	6.022	30	20	HKED	
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1	478002354	MYOYGLWBLXIIOT-UHFFFAOYSA-N	408.461	5.088	30	20	HKED	
CC(C)CN(Cc1ccccc1Br)C(=O)Nc1ccc(CC#N)cc1	482737982	YQGJTIGOUJVMKY-UHFFFAOYSA-N	400.320	5.205	30	20	HKED	
CCn1ncc2c(C(=O)[C@H](C#N)c3nccc4ccccc34)cc(-c3ccccc3)nc21	483196319	JWRQNSPTJRHXPW-OAQYLSRUSA-N	417.472	5.156	30	20	HKED	
CC(C)c1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1ccccc1Cl	483221879	AQABNGYRYSPFIH-GOSISDBHSA-N	414.896	5.687	30	20	HKED	
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1sc2c(c1C#N)CCCCCC2	483437124	KFTHHQHRJGDQMJ-UHFFFAOYSA-N	420.538	5.115	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1noc(-c2ccccc2F)c1C	483903416	BITKJGLLHGDTHB-UHFFFAOYSA-N	411.481	5.177	30	20	HKED	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	484890057	DUEAJSZTEMPGFA-AWEZNQCLSA-N	422.916	5.263	30	20	HKED	
CC(C)c1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1ccccc1Cl	485183380	QGYSDWLIISPRLV-IBGZPJMESA-N	421.932	5.816	30	20	HKED	
CN(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)S(=O)(=O)CCCCC#N	487159602	WOFVKWGVTPGDKM-UHFFFAOYSA-N	411.354	5.038	30	20	HKED	
N#Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c1	487577781	VHUBVPWXBYGFTR-UHFFFAOYSA-N	423.881	5.201	30	20	HKED	
COc1ccc2[nH]cc(C3CCN(c4c(C#N)cnc5c(F)cc(F)cc45)CC3)c2c1	488241318	KLHXLGLLFJMIAC-UHFFFAOYSA-N	418.447	5.259	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc([C@@H]4CCCOC4)c3)n2)cc1	500447723	AOEQTYYHAPUGTD-RTWAWAEBSA-N	402.519	5.503	30	20	HKED	
CC(C)Oc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1	501914889	NDDQMRPMAWGYGW-UHFFFAOYSA-N	409.536	5.271	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1	502402877	CRMNUVKMJNKJCB-UHFFFAOYSA-N	424.913	5.182	30	20	HKED	
CCCOc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1OCCC	503497572	XHCIUYCCQNZUGR-UHFFFAOYSA-N	419.525	5.457	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(COc2ccccc2)cc1	505754658	LTSNQZHAEADSNO-UHFFFAOYSA-N	413.521	5.259	30	20	HKED	
CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(Cl)c1C#N	506209283	VJQNBSXFMPVFCP-GFCCVEGCSA-N	416.852	5.002	30	20	HKED	
COC1(c2noc(CSc3ccc(C#N)cc3)n2)CCC(c2ccccc2)CC1	508601201	UJEFQWGGCGTKDG-UHFFFAOYSA-N	405.523	5.433	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	509906471	ZKENLNZRNQDFLF-UHFFFAOYSA-N	421.447	5.274	30	20	HKED	
COc1cc(CN(CCc2nccs2)C(C)C)ccc1OCc1cccc(C#N)c1	513971915	SMZANSSPIWTESM-UHFFFAOYSA-N	421.566	5.055	30	20	HKED	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1	515547217	QIHZOSPFSQRAKS-RLCCDNCMSA-N	409.898	5.034	30	20	HKED	
N#C[C@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc2cc(Cl)ccc2s1	516074439	UPDNFVTZTMLROW-OAHLLOKOSA-N	413.289	5.279	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CCCc3ccccc32)cc1	516245995	CPSNAVIOHYGKFS-QHCPKHFHSA-N	403.526	5.042	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	518256474	XKLQMCRNOLKVKR-AWEZNQCLSA-N	403.935	5.407	30	20	HKED	
CSc1ccc(Cl)c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1	518392295	HBVCGJCZNKSOTM-UHFFFAOYSA-N	400.931	5.054	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2ccnc2)cc1	520357779	MVUGYHRPTHYDAU-UHFFFAOYSA-N	410.452	5.039	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCc1nc(-c2cccs2)no1	520828797	ZJIWOGOITJYWTR-CQSZACIVSA-N	412.540	5.011	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1csc(-c2ccccc2)n1	522464117	KRYIJCFDIOKDBZ-OAHLLOKOSA-N	408.552	5.526	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1F	525650158	JICRKUOBMFXICL-OAHLLOKOSA-N	413.518	5.314	30	20	HKED	
C=C(C)COc1cc(CNc2cccc(C[S@](=O)C(C)(C)C)c2)ccc1OC	533219361	WFWWPMISAZBTGH-NDEPHWFRSA-N	401.572	5.309	30	20	HKED	
CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C1CC1	535555094	WMLBIIDMKIUUBK-KSSFIOAISA-N	420.538	5.354	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1Cl	536122581	XVKMULLPQBQRAR-MRXNPFEDSA-N	415.802	5.662	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)sc1C	537007080	IXUKGLIINTUPNH-UHFFFAOYSA-N	404.539	5.033	30	20	HKED	
CCOc1ccc([C@H](NCCCC2(C#N)CCOCC2)c2cccc(Cl)c2)cc1	537508230	FJZKPHBHUKOVPV-QHCPKHFHSA-N	412.961	5.518	30	20	HKED	
N#Cc1cccc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1F	538146672	CIHWHAUJIADNMU-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
COc1cc([C@H](C)NCC#Cc2cccc(Cl)c2)ccc1OCc1ccncc1	538152130	SIDMWBPDJHZGHT-SFHVURJKSA-N	406.913	5.025	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)NCCCc3cccs3)c2)cc1	538785776	KAUOHNMCBFMIFS-UHFFFAOYSA-N	405.523	5.147	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)cc1	539361262	OZDSOIZLFLKZHX-MRXNPFEDSA-N	419.912	5.177	30	20	HKED	
C[C@H](NC(=O)CCSCc1ccccn1)c1ccc(-c2cccc(C#N)c2)cc1	542989168	OSNSWYXECRAQIS-SFHVURJKSA-N	401.535	5.121	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1	603659611	MGBZKTXHZDOXBL-UHFFFAOYSA-N	410.477	5.202	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCSc4ccccc43)cn2)cc1	603689288	GMHYWGJWTPNFPI-LJQANCHMSA-N	402.479	5.104	30	20	HKED	
Cc1ccc(-n2nc(C)c(CC(=O)Nc3cc(C#N)cn3C(C)(C)C)c2C)cc1Cl	603934544	IIBGRWXPKPWTIE-UHFFFAOYSA-N	423.948	5.060	30	20	HKED	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1	603995740	XUOLIEKETVNIRF-OPAMFIHVSA-N	413.477	5.098	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1[N+](=O)[O-]	609062960	MKVZBJYTWYMTLW-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
COc1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	609377784	FQEFJYBCMFUVEN-ZDUSSCGKSA-N	424.444	5.126	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	609428444	HEJUHELRXYWUTD-HNNXBMFYSA-N	420.513	5.147	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1	609435251	ASRHCTUZOURGLM-KBPBESRZSA-N	407.461	5.982	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1	609475698	XEYWUJOXYPHMJU-KRWDZBQOSA-N	421.460	5.146	30	20	HKED	
COc1ccccc1-c1cccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1	609526762	XVAMQBKDERXKLP-DEOSSOPVSA-N	400.478	5.276	30	20	HKED	
CCC(CC)n1c(COc2ccccc2Cl)nnc1SCCC(C)(C)C#N	610285502	LHSQWKHKBLYUTG-UHFFFAOYSA-N	406.983	5.904	30	20	HKED	
Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	611868152	ADUVHCHWYMFUFX-RUZDIDTESA-N	410.521	5.086	30	20	HKED	
N#Cc1ccc(CNC(=O)N(Cc2cccs2)Cc2cccs2)cc1Cl	619769910	SRZIOJNFUTYXOW-UHFFFAOYSA-N	401.944	5.247	30	20	HKED	
O=C(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1	622594317	QDZXRXYDBCRKLK-LLVKDONJSA-N	405.313	5.282	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)COC(c1ccccc1)c1ccccc1	672239765	BRPVHUOYRLRZMN-UHFFFAOYSA-N	417.553	5.175	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1C	672659813	HOIHRIXPHFQPKL-UHFFFAOYSA-N	406.482	5.483	30	20	HKED	
FC(F)(F)c1ccc2c(N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)ccnc2c1	676878272	TVEKPKLXOODBNT-PHIMTYICSA-N	402.260	5.431	30	20	HKED	
CCc1cccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)c1	726801367	IASVSCNYPQEEBO-HMMYKYKNSA-N	408.548	5.337	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C\c3ccc(Br)o3)cc2)c1	728005555	NYWCXFPSIIODEQ-LUAWRHEFSA-N	423.266	5.145	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	728014217	OYUWFYVKOASEAT-UHFFFAOYSA-N	415.399	5.627	30	20	HKED	
O=C(O)C(=O)/C(=C/c1ccc(-c2ccccc2F)s1)c1ccc2ccccc2n1	728156734	NTYFSLNWAWKRPE-GHRIWEEISA-N	403.434	5.297	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cc1	728696967	BWTMDWZFYDPTMA-PRWGNSRSSA-N	401.437	5.592	30	20	HKED	
COc1ccccc1C[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	730686081	CVVONKZNVZRBOM-PXNSSMCTSA-N	404.535	5.572	30	20	HKED	
CN(C)[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1	732269321	HTCFKMWFTZOCQC-GOTSBHOMSA-N	403.913	5.237	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccccc2)C2CCCC2)c1	733851778	JQMNOXXGEVLBCN-QHCPKHFHSA-N	405.542	5.064	30	20	HKED	
Cn1c(CSc2nc3ccccc3s2)nnc1S[C@H](C#N)C1CCCCC1	734368421	UFFYOWMAOJWYRX-MRXNPFEDSA-N	415.613	5.282	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1	734930240	UACKFHJOBLUOQW-FQEVSTJZSA-N	402.523	5.390	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1ccc(SCc2csc(C)n2)cc1	741643540	FFHBSIRZNGIZFP-UHFFFAOYSA-N	412.511	5.147	30	20	HKED	
CCN(C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccc(C#N)cc1	742223059	JDQPMGAKKXLPTI-UHFFFAOYSA-N	407.473	5.449	30	20	HKED	
C=CCn1c(-c2ccccc2F)nn(CN(Cc2ccccc2)CC(F)F)c1=S	743396794	DRPOCUYANBXKQM-UHFFFAOYSA-N	418.488	5.131	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1	744062711	WALNFWMMFSMJQI-JJEJIETFSA-N	418.547	5.325	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2cc(C)ccc2C)cs1)c1ccc(F)cc1F	745999429	XHPIOIDMEMZWFR-CLFYSBASSA-N	412.461	5.619	30	20	HKED	
CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc([S@](C)=O)cc1	746370117	FZHNDXQLGWQVQC-LJAQVGFWSA-N	420.563	5.240	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(-c2ccc(F)cc2)nc1C	749361726	RYGYIZCBBWSYFZ-UHFFFAOYSA-N	416.481	5.007	30	20	HKED	
C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(F)cc1F	752482437	HRDPEDMANMJKDW-SCLBCKFNSA-N	407.445	5.330	30	20	HKED	
N#Cc1cc(Cl)ccc1SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	753831975	CMISBFNJMYCXJY-MRXNPFEDSA-N	409.923	5.304	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1Cl	757185541	YBCONLFMPXIETM-HXUWFJFHSA-N	411.914	5.041	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1	757875694	TXTXOFXSUQNILG-SFHVURJKSA-N	424.287	5.325	30	20	HKED	
CC(C)c1ncc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)s1	758415714	JZWQVDZORBDFAA-NSIKDUERSA-N	405.957	5.197	30	20	HKED	
CC[C@@H](C)n1ncc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C1CC1	760483570	IVXIAVYJEVFIQT-OAHLLOKOSA-N	404.539	5.262	30	20	HKED	
N#CCOc1ccccc1C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1	762715225	BZHIVOHZFUHMKX-UHFFFAOYSA-N	419.186	5.089	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(Br)cc1Cl	765614385	VQMDLMKOFBZAJT-ALCCZGGFSA-N	405.704	5.517	30	20	HKED	
CCc1c(C)sc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c1C#N	769682768	UUFXRNBKZYSESE-UHFFFAOYSA-N	414.943	5.338	30	20	HKED	
C[C@H](CSCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	772974550	LIHNEBKHBLVGIH-UZLBHIALSA-N	417.559	5.428	30	20	HKED	
C[C@H](NCc1cc(C#N)ccc1F)c1ccc(Br)cc1Br	773030882	WWNWOPBKXCBASF-JTQLQIEISA-N	412.100	5.073	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3cn(C)c4ccccc34)n2)cc1	774007130	RJNDMDGQGPEVES-KXBFYZLASA-N	415.518	5.290	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)ccc1OC	779103558	ZKDZNRSUNCUWGU-WIOPSUGQSA-N	420.940	5.909	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)cc1	780485069	HYASMOSTCXSOHK-MWOWEMRISA-N	407.517	6.052	30	20	HKED	
CCCCOc1ccc([C@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1OC	780668903	AGBJZBOPILWPJL-IRXDYDNUSA-N	411.502	5.048	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)NCc3cccc(Cl)c3)sc2c1	786533604	FSSXWMHHPNLZGV-OAHLLOKOSA-N	417.317	5.155	30	20	HKED	
N#Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c(Cl)c1	788360716	ZYJQSAVIPILWLN-PKNBQFBNSA-N	410.864	5.355	30	20	HKED	
Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1nccc2ccccc12	792096068	ZGMJSLIPZYIEKA-GOSISDBHSA-N	418.294	5.137	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1Cl	796307414	BRNJDDUOEHHNRO-HNNXBMFYSA-N	410.930	5.231	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl	804459897	RIQKCCWAKJQCFN-KRWDZBQOSA-N	412.917	5.051	30	20	HKED	
CSc1cc(Br)ccc1/C=C1/C[C@H](C(=O)O)c2ccccc2C1=O	806561972	FISKTPGPRCKHBF-LJEUOOAZSA-N	403.297	5.009	30	20	HKED	
C[C@H](N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(OCC#N)cc1	808705382	FTTMPCIOEOIGSR-QKKBWIMNSA-N	424.342	5.561	30	20	HKED	
O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)C(F)(F)c1nccs1	809326188	GVTLRAYPKMTWDG-SECBINFHSA-N	405.266	5.101	30	20	HKED	
CC(C)OCc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccc1O	811595388	ZAYHILRHUGJPDV-UHFFFAOYSA-N	416.477	5.020	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813216190	OKOAFMUADWHBAK-INIZCTEOSA-N	419.403	5.246	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1	814577786	RPZHGGBOLNRKII-LOSJGSFVSA-N	407.517	6.101	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1	915085941	GHLGINHFOSGGCB-QFIPXVFZSA-N	416.571	6.073	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CC(C)(C)[C@H]2c2ccccc2)c1=S	919948200	GUNAYRPIOQFDMN-OAQYLSRUSA-N	420.582	5.316	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCSc1ccc(Cl)cc1	920106717	YUEKTPOCGMQFGF-SFHVURJKSA-N	410.926	5.594	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1	1786103348	XNHAKYLBEIMBQH-UHFFFAOYSA-N	419.525	5.068	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1	1828349444	CXLUVCGACSOIHT-XZOQPEGZSA-N	414.634	5.345	30	20	HKED	
C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1	1831369197	CGYAAGBGAGAWPJ-AVRDEDQJSA-N	422.569	5.187	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccccc2F)cc1	11169252	JGZFTPMBRREONT-UHFFFAOYSA-O	413.925	5.380	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cccc(Cl)c2Cl)n1	21514559	DSWYYCXAFFWSCS-UHFFFAOYSA-N	420.243	5.318	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)n1	41517170	GLCVUGUAXQYOCV-SFHVURJKSA-N	415.522	5.243	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OCCC	41554778	NBSPMVWSWYLXPH-MRXNPFEDSA-N	406.404	5.168	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nc2ccccc2c1=O	54642048	QINFGUKWZVTXQC-CYBMUJFWSA-N	412.465	5.181	30	20	HKED	
Cc1cc(C)c(C#N)c(S[C@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1	58739742	ISNNXZSSTZTALE-CQSZACIVSA-N	418.547	5.388	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1F	195569449	UMPAUHYEVDDPQP-CYBMUJFWSA-N	416.909	5.043	30	20	HKED	
COc1cc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)ccc1OCc1ccccc1	237277240	VJMYFWGVLHSODM-PMACEKPBSA-N	416.521	5.416	30	20	HKED	
C=CCNC(=O)Nc1ccc(NCc2c(C)nn(Cc3ccccc3Cl)c2C)cc1	237681059	NTOGXOZBMUGSAD-UHFFFAOYSA-N	423.948	5.121	30	20	HKED	
COc1ccccc1-c1csc(C2CCN(c3ncc(C#N)cc3Cl)CC2)n1	302711211	IBVPIXUHSPYBJJ-UHFFFAOYSA-N	410.930	5.123	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	303434432	GPNROTBVXDJNBT-UHFFFAOYSA-N	411.461	5.410	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@H](c2ccccc2F)C1	410284704	BQPJQMCYPHSZIP-GOSISDBHSA-N	402.494	5.478	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ncc[nH]4)CC3)cc2Cl)cc1	429047190	JUJSFPFMNIVTPD-UHFFFAOYSA-N	421.888	5.139	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1	429817676	AGELSYLVSRQLLJ-UHFFFAOYSA-N	417.321	5.106	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)s1	430612205	QRFOUVWMYZXSGE-CQSZACIVSA-N	418.444	5.135	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1c(F)cc(F)c(F)c1F	430801440	CGKXUBDLVFJFDQ-UHFFFAOYSA-N	416.399	5.196	30	20	HKED	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@H](CCCC#N)c1ccccc1	433018245	CWGAGBAMPIWIRG-XMMPIXPASA-N	406.961	5.726	30	20	HKED	
CC(C)(C)OC1CC(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	433517656	CYJUMQHPCRNIQO-UHFFFAOYSA-N	407.514	5.456	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(-c2ccccc2)c1C	435351920	XOIYBFYEWDHLHQ-UHFFFAOYSA-N	401.388	5.017	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CC(C)(C)c2ccc(C)cc2)cc1	437835246	GOIKJKJZRHJFKR-UHFFFAOYSA-N	419.569	5.251	30	20	HKED	
N#CCC[C@@H](NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccccc1	439399264	TWQATKOJNMWGTC-LJQANCHMSA-N	413.403	5.058	30	20	HKED	
CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](CCC#N)c3ccccc3)s2)cc1	439675917	UYSCBYKORHHVQO-FQEVSTJZSA-N	405.523	5.292	30	20	HKED	
CCO[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1	446490831	QNEOWJBWUIZBCX-HSZRJFAPSA-N	416.546	5.358	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2cc(Br)ccc2c1)c1ccc(C(F)(F)F)cn1	448321643	NOCXBVUYWBFDJC-MRXNPFEDSA-N	419.200	5.506	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2NCc2ccc(Cl)cc2)cc1	462839180	HGOTWYLCVLSHSX-UHFFFAOYSA-N	407.926	5.555	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC(c3ccccc3F)C2)c1	463019596	LXHBQYQYWROZTL-UHFFFAOYSA-N	406.844	5.383	30	20	HKED	
C[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Br)s1	463744550	JNXIAXRYUWLJNS-VXGBXAGGSA-N	409.374	5.505	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)s1	463756180	OWFRNRDHVNBPEZ-INIZCTEOSA-N	423.513	5.407	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2)cc1	464411616	QEJOJWJIKPSNLZ-LJQANCHMSA-N	406.367	5.206	30	20	HKED	
Cn1c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc2cc(C(F)(F)F)ccc21	468536582	NMHJIVBOUYGJFY-UHFFFAOYSA-N	420.275	5.154	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1	469752339	MMFMDMWUIYPTMC-QGZVFWFLSA-N	421.381	5.393	30	20	HKED	
C=CC[C@@H]1N(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)CCCC1(C)C	470266788	MHLBMFQAHLDKOZ-KRWDZBQOSA-N	416.616	5.027	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1	475565974	YJWLMWZVSINIGV-UHFFFAOYSA-N	419.544	6.570	30	20	HKED	
COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H](C)c1ccccc1	477709415	GZXNPCOLFHMAAK-IBGZPJMESA-N	415.493	5.592	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1	478548324	PPSLGUYPOKHKFC-KESTWPANSA-N	406.869	5.060	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)cc1	479554805	MTYJLJDHNJGJMY-UHFFFAOYSA-N	420.578	5.663	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(NC2CCOCC2)cc1	480644333	GVHICFYVDSQTTK-UHFFFAOYSA-N	413.477	5.194	30	20	HKED	
C=C(C)[C@@H](N[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(F)c(F)c1	480665948	CMHVGNMITAAHNC-WAIKUNEKSA-N	419.537	5.649	30	20	HKED	
C=C(C)[C@H](NCc1csc(-c2cccc(OC)c2OC)n1)c1ccc(F)c(F)c1	481592079	JCXUFKQJHOEMAE-FQEVSTJZSA-N	416.493	5.513	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1-c1ncco1	481888955	ZJTUGHCBIJJUFZ-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	484977194	AVMNGNUVMOSIHI-RDTXWAMCSA-N	404.297	5.306	30	20	HKED	
CC(C)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1[N+](=O)[O-]	492222669	FGUYUBRSXIKNES-UHFFFAOYSA-N	401.466	5.070	30	20	HKED	
N#Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1	498388820	PBGHRTMXNIZMTL-UHFFFAOYSA-N	423.881	5.201	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1	499808797	FXFXGMILSNAFJP-INIZCTEOSA-N	402.306	5.420	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-n2nccc2C)cc1	500746768	WKIYVKQTZQVGKP-UHFFFAOYSA-N	408.461	5.405	30	20	HKED	
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1OC(F)F	505440306	OIKKZUZHNTWMQO-LYOVBCGYSA-N	421.312	5.090	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)o2)cc1	505972284	VUAIIPYOFYKGRV-SFHVURJKSA-N	414.292	5.271	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccncc1F	512223427	DAYQQSMHTJIOTF-BONVTDFDSA-N	423.332	5.293	30	20	HKED	
Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	512830259	XLZIAMMPLIIKQA-UHFFFAOYSA-N	423.472	5.277	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(Br)c1	513511612	GILFJMDQTIAAOA-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)s1	517654839	IBYWYRWZWAUZNN-UHFFFAOYSA-N	418.503	5.491	30	20	HKED	
COc1ccc(Cl)cc1CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	519198919	CVVLEAIPNLCXSH-UHFFFAOYSA-N	421.884	5.676	30	20	HKED	
Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Cl)c1	520921853	IPZSIKBIOQYRMA-QGZVFWFLSA-N	419.912	6.060	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCc1cccc(C(F)(F)F)c1	520941554	RIDXQJKGRWXWQF-OAHLLOKOSA-N	421.488	5.854	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1Cl	521473407	AZIHXUQJBFBKTQ-NRFANRHFSA-N	402.881	5.597	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1	521746911	JMOZRIXWELMDEI-QGZVFWFLSA-N	415.449	5.096	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cc1	522233118	ATOAUJBKFPPAED-YWZLYKJASA-N	417.465	5.397	30	20	HKED	
N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1ccccn1	524012117	GYWVROMIGSTTBC-INIZCTEOSA-N	402.837	5.550	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cccc(Cl)c1	524441025	OBALDPWUWNTEJQ-UHFFFAOYSA-N	419.912	5.763	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c(F)c1	531499838	NVAHYGUMMBASHI-UHFFFAOYSA-N	424.259	5.443	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](c2ccccc2)CC1	533263085	JQARFALNEVWDOC-CTNGQTDRSA-N	407.583	5.289	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21	533487559	FOXDGDKSRBDQOE-VGSWGCGISA-N	405.567	5.171	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(C(F)(F)F)CC3)cc2Cl)cc1	534570037	XMRXSHQHQHUYIN-UHFFFAOYSA-N	421.806	5.730	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(Nc4ccc(C(F)(F)F)cn4)cc3)cc2)CC1	538573419	WDWCGGSRLVVPKF-UHFFFAOYSA-N	422.410	5.651	30	20	HKED	
CCCC[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1	539497794	XXZFBNAIEKGDNV-NTKDMRAZSA-N	404.558	5.007	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cccc(OCc2cccnc2)c1	539941034	WJECUALSIQDFKS-SFHVURJKSA-N	417.534	5.094	30	20	HKED	
C[C@@H](NCc1cnc(-c2ccsc2)s1)c1ccc(-c2cccc(C#N)c2)cc1	542184328	NQKMOKDISTVTDG-MRXNPFEDSA-N	401.560	6.261	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1	548587335	NKINTRXJRAUKDE-UHFFFAOYSA-N	417.556	5.500	30	20	HKED	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1	551195752	ZRHNHWBYQVUZGD-OAHLLOKOSA-N	409.411	5.472	30	20	HKED	
CC1(C(=O)Nc2ccc(-c3cnco3)cc2)CCN(c2ccc(Cl)cc2C#N)CC1	561072454	RWCSCECQGDOVFP-UHFFFAOYSA-N	420.900	5.112	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3cscc3-c3ccccc3)CC2)c(F)c1	572773313	KUDCVVNLZQOBJU-UHFFFAOYSA-N	406.482	5.109	30	20	HKED	
C=CCn1c([C@@H](C)CC)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1	574797527	FEJOPEGRTAVLJJ-HNNXBMFYSA-N	414.941	5.098	30	20	HKED	
C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1	581118961	HRHCFSXXQJWLNF-UHFFFAOYSA-N	418.541	5.057	30	20	HKED	
CCN(C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)[C@@H](C)c1ccc(C#N)cc1	603528691	CXMJCJRFNDDUDI-FQEVSTJZSA-N	422.532	5.108	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccnc1Oc1ccccc1	604488047	FSNDZSMFSRDNLE-UHFFFAOYSA-N	404.426	5.002	30	20	HKED	
CCc1nc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2nc1CC	609378142	XKTQUFZFMJTMDL-OAHLLOKOSA-N	404.539	5.259	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C(F)F)c1	609378496	PQIJFYGGHDSVTA-UHFFFAOYSA-N	400.372	5.901	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1	609434776	PRDPTBXNOLHSPN-LJQANCHMSA-N	422.598	5.209	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)s1	609462423	HGUZCDKICWBXEN-AWEZNQCLSA-N	421.469	5.122	30	20	HKED	
CC(C)n1cc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1	609572999	LNXHMTHMHYGBPY-HRAATJIYSA-N	421.932	5.656	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)oc1C	610591545	OHHZDLIARILEAI-YADHBBJMSA-N	400.482	5.262	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(C#N)cc2F)c2ccccc2Cl)cc1OC	610946923	BCRLGKCSKZDERS-HSZRJFAPSA-N	410.876	5.247	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](Cc2ccncc2)C1	611815909	ATUDOPBWTBPVLO-NRFANRHFSA-N	412.493	5.151	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1	620566411	ALISEFNQCULHEP-ZDUSSCGKSA-N	421.349	6.249	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)c(F)c1	681330263	WQPDWQYROLAPHN-WTIAFYNJSA-N	414.496	5.391	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1	682776969	BXILPFGUPKQLSF-LJQANCHMSA-N	403.526	6.091	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3c(c2)oc2ccccc23)c1	726502942	XDCKXWLAMWNLDE-UHFFFAOYSA-N	408.413	5.882	30	20	HKED	
O=C(/C=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccc(N2CCOC2=O)cc1	726743816	QBMGJLKJUXUSSE-BHQIHCQQSA-N	416.260	5.165	30	20	HKED	
O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1csc(C(=O)O)c1	730150867	YKGYUBDKXJBKIQ-PLNGDYQASA-N	420.309	5.228	30	20	HKED	
COc1cc(C)c(C(C)=NNc2nc(C)nc3sc4c(c23)CCCC4)cc1OC	731315005	RQUGXAYFWQFKML-UHFFFAOYSA-N	410.543	5.040	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COC3CCCCC3)c2)c1	733844117	FARJAXINGRPNMV-JOCHJYFZSA-N	421.541	5.539	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-c3ccccc3OC)c2)c1	733845129	MLDPDICDPIJIMD-OAQYLSRUSA-N	415.493	5.365	30	20	HKED	
CC(=O)N(c1nc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cs1)C1CC1	734304283	GYMQMYPIUDMMOQ-JYRVWZFOSA-N	420.506	5.186	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccncc1	734667713	MVSYUSWQYRALSY-ICSRJNTNSA-N	422.529	5.338	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N	739306872	VXVGFMWLHQQOTE-GJZGRUSLSA-N	410.470	5.201	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)cc2c1OCCO2	741840846	AIKRDEUPMKNVKE-UQCOIBPSSA-N	410.413	5.017	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c[nH]c3c(C)cccc23)cc1	744033692	VHTYRXSGGNEGNW-KSFYIVLOSA-N	401.510	5.270	30	20	HKED	
Cc1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	744034445	CJOHPZWBTDMUOB-BXUZGUMPSA-N	405.306	5.998	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ncc(-c4cccc(F)c4)o3)cc2F)c1	747477721	NCOZQGSJJKEUGJ-UHFFFAOYSA-N	417.415	5.683	30	20	HKED	
C[C@H](Oc1ccccc1C#N)c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1	747863905	PPKAFNPCKSOXME-AWEZNQCLSA-N	406.442	5.095	30	20	HKED	
COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCCc1ccc(Cl)c(Cl)c1	753534063	SCULBESSPYDDGE-OAHLLOKOSA-N	419.308	5.062	30	20	HKED	
N#CC1CCC(COC(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC1	755975998	VILXTCJQTXFEST-UHFFFAOYSA-N	415.287	5.123	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cncc(-c2ccccc2)c1	757875553	QCNYONDMYJNXLE-LJQANCHMSA-N	423.444	5.024	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(O)c(Cl)c2)cs1	768754140	CIQJRJLWVXCTFU-WEVVVXLNSA-N	416.861	5.222	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)c(F)c1	772808844	ZHPDIVWPSOATRV-CXUHLZMHSA-N	407.857	5.812	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccc(F)cc3)s2)ccc1OC	772977895	CVWOYFKQUXIHRY-JXFKEZNVSA-N	424.541	6.095	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccccc1Cc1ccccc1	777176386	AJCNSAQPOROHEC-LJQANCHMSA-N	424.500	5.017	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(C3(C#N)CC3)cc2)n1	779596373	UXLFKAZUMSUMRU-GOSISDBHSA-N	408.502	5.144	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1ccccc1F	780667653	KPADUHLQEUCIJE-HTAPYJJXSA-N	403.457	5.222	30	20	HKED	
N#C[C@@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1Cl	783353087	ODCZYUSUTYEZPH-XIVSLSHWSA-N	421.246	5.400	30	20	HKED	
CCOc1c(Cl)cc(C=NOCc2ccc(Cl)nc2C(F)(F)F)cc1OC	786738842	NUUKYIXIYVRWLQ-UHFFFAOYSA-N	423.218	5.365	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1	790965173	GRTMYOGPSAVENU-LJQANCHMSA-N	413.905	5.001	30	20	HKED	
CC[C@H](Cc1ccccc1Br)C(=O)[C@@H](C#N)c1nccc2ccccc12	792106555	RUPCKXMFHBGUTQ-BEFAXECRSA-N	407.311	5.442	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)c1=S	795700325	JDDOULVYLZEBLX-GHTZIAJQSA-N	405.571	5.093	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)Cc3csc4ccc(Br)cc34)[nH]c12	796717523	CLYQLJLNNUKDFX-HNNXBMFYSA-N	424.323	5.268	30	20	HKED	
Cc1ccc(C(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1C#N	799336246	PGEKBHMLDXFEJW-UHFFFAOYSA-N	411.383	5.349	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)c2csc(-c3ccc(Br)s3)n2)CC1	809091908	QZMUSAAVYBFSJF-PHIMTYICSA-N	411.346	5.121	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Oc3c(C)cc(Cl)cc3C2=O)cs1	811696390	DHGZAUCLZSFKQB-VXLYETTFSA-N	424.909	5.714	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1	915086069	GBQLCAJWIVDCOG-IBGZPJMESA-N	409.258	5.496	30	20	HKED	
FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1	916333317	IQIHQTLABYANGC-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C2CCCCC2)cc1	916902259	XATPLGYSFZDNEF-IBGZPJMESA-N	424.928	5.666	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc2sc3ccccc3c2s1	916908810	JHHOROHXBLZWHJ-LBPRGKRZSA-N	410.907	5.731	30	20	HKED	
O=C1/C(=C\c2cn3cc(Cl)ccc3n2)CC/C1=C/c1cn2cc(Cl)ccc2n1	920755058	GVIOMVSLNBQJRP-PVRNWPCDSA-N	409.276	5.119	30	20	HKED	
CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1	1790953715	ZFGPZHMXWHXFQX-OAQYLSRUSA-N	422.550	5.135	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1	1820902761	VKONGNSDRBVUJP-DRUFCSCSSA-N	412.578	5.141	30	20	HKED	
C=CCn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccc(Cl)cc1	6071243	HBIQGBOXPXLTBY-UHFFFAOYSA-N	414.943	5.793	30	20	HKED	
C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1	6909098	GQEFALMASWRSGK-LJQANCHMSA-N	412.946	5.206	30	20	HKED	
C[C@H](C#N)SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F	9544858	JBLUQZPWJFTSBI-WIWNTQSISA-N	420.296	5.521	30	20	HKED	
C=CCn1c(SCc2cc(-c3cccs3)on2)nnc1-c1ccc(Cl)cc1	10240417	OABQUYWSNVNDNH-UHFFFAOYSA-N	414.943	5.793	30	20	HKED	
C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	47570369	VHWPHHAWOPRYQW-KRWDZBQOSA-N	405.523	5.618	30	20	HKED	
CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1C	51156442	LJFIOUNMACZMPH-KRWDZBQOSA-N	409.898	5.220	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1	55553428	LQCFGSUVQFDUTP-UHFFFAOYSA-N	404.473	5.031	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)sc2c1CCCC2	57983535	KQWLOJMHCUJUQM-UHFFFAOYSA-N	418.547	5.056	30	20	HKED	
COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1	58429553	LBFGZCNIHRJASX-UHFFFAOYSA-N	419.456	5.170	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1	60043796	ALJQRNNCLLEDRI-QFIPXVFZSA-N	405.482	5.839	30	20	HKED	
Cc1ccc([C@H](NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)c2cccs2)cc1	60208183	CTKZTVHNXMPZLF-VWLOTQADSA-N	417.578	5.044	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1	63405048	PSUUYNKRWNYYJJ-QHCPKHFHSA-N	403.913	5.337	30	20	HKED	
COc1ccc(OC)c(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	97404282	DMXHFDDCFVFNMQ-OAQYLSRUSA-N	420.896	5.194	30	20	HKED	
N#CCCn1cc(CNCc2ccc(OC3CCCCC3)cc2)c(-c2ccccc2)n1	237832136	NUWIIQPVYMQEHA-UHFFFAOYSA-N	414.553	5.465	30	20	HKED	
N#CCCCOc1cccc(CNCc2cccc(NC(=O)C3CCCCC3)c2)c1	238065053	PIFPVVCDGMARRM-UHFFFAOYSA-N	405.542	5.178	30	20	HKED	
Cc1cccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)c1	426168848	VQLAZCGOPMCNEG-JOCHJYFZSA-N	420.497	5.542	30	20	HKED	
COc1cc(Cl)c(Br)cc1C(=O)[C@H](C#N)c1nccc2ccccc12	429204162	OSUWCVDWVKJEJR-CQSZACIVSA-N	415.674	5.149	30	20	HKED	
CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	434611270	FMNBOXNLXXYXIT-GAJHUEQPSA-N	413.562	5.488	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1F	437496143	PKIDYYBTQYRCLK-HXUWFJFHSA-N	410.495	5.520	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(COCc2ccco2)c1	437767840	AFBGAQUFBGVCIQ-DNQXCXABSA-N	415.493	5.300	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1	438197789	GLAWGHMDIGBOGL-CYBMUJFWSA-N	403.404	5.343	30	20	HKED	
COc1ccc(-c2csc(CNC(=O)N[C@H](CCC#N)c3ccccc3)c2)cc1	440255297	YUSMXVPGCKMMIV-JOCHJYFZSA-N	405.523	5.268	30	20	HKED	
N#Cc1cccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1	444029661	YYXXKVLQYGEKNZ-OAHLLOKOSA-N	401.310	5.392	30	20	HKED	
C=CC[C@H]1N(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCCC1(C)C	444898675	PDCWLFNWFQJPPQ-KPURRNSFSA-N	410.583	5.593	30	20	HKED	
N#Cc1cc(F)c(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1	446244613	COJKPEXNPBMIDE-CQSZACIVSA-N	422.275	5.279	30	20	HKED	
N#C[C@@H]1N(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CCC[C@]12CCCCO2	468657921	DZUAHJHVHKOIRW-JTHBVZDNSA-N	410.901	5.200	30	20	HKED	
COc1ccccc1CN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(C#N)cc1	470780303	RJJZDXOVCFLMKD-QGZVFWFLSA-N	405.523	5.101	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N	473582465	LHMGBBHSSXWITP-KGLIPLIRSA-N	408.445	5.363	30	20	HKED	
CC(C)(C#N)c1ccccc1COc1ccc(Oc2ncc(Br)cn2)cc1	473666040	OQZBWLNPNPDSGL-UHFFFAOYSA-N	424.298	5.412	30	20	HKED	
Cc1cc(Br)c(F)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	473856049	UOFWRHOQEQKPAU-BEFAXECRSA-N	416.294	5.200	30	20	HKED	
C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1	474892530	JTSVIYFPMAJFKP-GOSISDBHSA-N	411.505	5.231	30	20	HKED	
Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	475503201	NAXQLVNYVFEZSV-UHFFFAOYSA-N	407.445	5.024	30	20	HKED	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N	475601638	NSKNOWAQQYOMED-IKGGRYGDSA-N	415.990	6.248	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1	476124775	XMDYDECPQBQHNQ-UHFFFAOYSA-N	415.415	5.860	30	20	HKED	
COCCOc1c(Cl)cc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1Cl	476593472	BTBOVAGHADFPGO-OAHLLOKOSA-N	407.297	5.045	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC2(Cc3ccccc3)CC2)cc1	480309052	UYHRVHWJJXITRZ-UHFFFAOYSA-N	411.505	5.228	30	20	HKED	
Cc1nc(N[C@H](CCC#N)c2ccccc2)nc(N[C@H](CCC#N)c2ccccc2)n1	480442660	JBWOWZQWBUWLKU-FGZHOGPDSA-N	411.513	5.094	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CCCc1ccccc1Br	481800571	ZWHKGZQDTSPZEN-OAHLLOKOSA-N	417.372	5.662	30	20	HKED	
C=CCN(C(=O)CCc1ccnn1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	484109655	NAKKITYGDQCWDU-UHFFFAOYSA-N	421.353	5.002	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1SCc1csc(-c2ccc3c(c2)OCO3)n1	488771569	XKSTZVUAGZECQG-UHFFFAOYSA-N	421.425	5.117	30	20	HKED	
C=CCn1c(SCc2nccn2Cc2ccccc2)nnc1-c1ccc(Cl)cc1	497261337	MDJHKQLDRXJTCL-UHFFFAOYSA-N	421.957	5.322	30	20	HKED	
CC(C)n1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C1CC1	497901293	ZRYFADGEXKXFKW-UHFFFAOYSA-N	400.482	5.044	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(Br)cc1	499408777	QVFXTBZDBLMEMW-OAQYLSRUSA-N	421.294	5.023	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)OCCCO2	500745521	RDFYKSCZWTZPJN-UHFFFAOYSA-N	400.434	5.073	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(Br)c3)c2)cc1	501455283	QMRASSTWVSCTAI-UHFFFAOYSA-N	421.294	5.346	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1	502060762	JMPXLVLTEZFJOU-UHFFFAOYSA-N	414.852	5.508	30	20	HKED	
CCc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1	504349844	AQQYJOSMLIXYML-UHFFFAOYSA-N	405.523	5.277	30	20	HKED	
N#C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(Cl)c(Cl)c1	505927893	FKWYQZDEGTUNNP-GOSISDBHSA-N	418.305	5.024	30	20	HKED	
CCOc1ccc([C@H]2CCCN2Cc2cn(CCC#N)nc2-c2ccccc2)cc1	506711162	NUYNOOPNZVBXGM-XMMPIXPASA-N	400.526	5.200	30	20	HKED	
N#Cc1cc(F)cc(C2(c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)CC2)c1	508029718	VOXVOKWFIXKIOO-UHFFFAOYSA-N	416.387	5.154	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1	508255803	ABTNPNVFXKRXPQ-MRXNPFEDSA-N	419.456	5.723	30	20	HKED	
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@H](c2nccs2)C1	508798820	XSEUIPKUTYAREW-ZDUSSCGKSA-N	420.369	5.278	30	20	HKED	
C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](c2nccs2)C1	508866452	ZYWZBWQNWTXCDR-OALUTQOASA-N	423.586	5.061	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1	509911320	PIKCOXNVAIWFII-UHFFFAOYSA-N	424.353	5.173	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2C2CCCCC2)cc1	511367006	XJYQEYAZMIXVAB-VWLOTQADSA-N	417.553	5.908	30	20	HKED	
C[C@H](CC#N)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	512108293	VBKCKMZHVCBYCY-LJQANCHMSA-N	406.489	5.238	30	20	HKED	
C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccccc4)c(C)sc3n2)c1C	515438641	WLPSHBGBMIMJEK-UHFFFAOYSA-N	417.534	5.402	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1	517397046	PSXVWQLUWHVMOF-KXBFYZLASA-N	416.978	5.159	30	20	HKED	
N#C[C@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	520271520	UGXHATDUMDWITJ-HNNXBMFYSA-N	419.255	5.485	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1	520652943	AVJIGEKKDAWXJJ-HSZRJFAPSA-N	424.541	5.577	30	20	HKED	
C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1	520821833	XWPAPHOWTRHQTK-CABCVRRESA-N	404.988	6.167	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1	521014512	XGVWDTDMEIWDNC-UHFFFAOYSA-N	419.569	5.146	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(CN3CCCCCC3)cc2)c1	521116290	XDLXAHBJDRIFHE-UHFFFAOYSA-N	405.542	5.122	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC[C@@H](c2cccs2)N2CCCC2)c1	521803530	AMAWUTMSDFFONC-DEOSSOPVSA-N	417.578	5.125	30	20	HKED	
CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	521953582	HVIZOSQCYVNBAB-KRWDZBQOSA-N	401.466	5.024	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C(F)(F)F)c1	524199943	AGKNFMNOZUCISH-UHFFFAOYSA-N	419.447	5.615	30	20	HKED	
COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	524604386	NXFXKECRJFIJTE-FGZHOGPDSA-N	416.452	5.027	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(-n2cc(Br)cn2)cc1	530508336	RSGKKZKSPQHDLQ-UHFFFAOYSA-N	424.342	5.739	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(SCc3ccccc3)cn2)cc1	533598952	GNILAVUMSZHQTC-UHFFFAOYSA-N	405.548	5.117	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1)C[C@@H](C)C#N	533718743	NVPABBBQHNQKEU-AWEZNQCLSA-N	404.967	5.080	30	20	HKED	
COc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1OCc1ccc2ccccc2n1	534613518	BBGGKYYWJRXGCT-UHFFFAOYSA-N	423.472	5.141	30	20	HKED	
C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(NS(C)(=O)=O)cc1	542107510	UTIHALBTSLHIFG-QZTJIDSGSA-N	419.550	5.009	30	20	HKED	
COCCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543018653	WNPBZXRTGJHQTL-SFHVURJKSA-N	419.550	5.206	30	20	HKED	
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(C#N)c(Cl)c1	548303204	BUNKNJCHONMNSS-UHFFFAOYSA-N	406.917	5.087	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1Br	551483678	SWFIDUFJWFVADH-GFCCVEGCSA-N	402.679	5.086	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	555460064	HKQLQUUIVQFWKR-UHFFFAOYSA-N	422.366	5.197	30	20	HKED	
COc1ccc(-c2cc(NC(=O)NCC(C)(C)CCC#N)ccc2OC(F)F)cc1	558246272	NVWGSODARYWCAH-UHFFFAOYSA-N	417.456	5.415	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc2n[nH]cc2c1	562122861	JAASXIPOBKEKHD-INIZCTEOSA-N	411.465	5.418	30	20	HKED	
N#Cc1cc(Oc2ccc(N[C@H]3CCCN(c4ccccc4Cl)C3=O)cc2)ccn1	562232281	KJJWYGSCTOLAPA-NRFANRHFSA-N	418.884	5.006	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2-c2c(F)cccc2F)CC1	563393234	FTDQFKPDZNQDEW-UHFFFAOYSA-N	418.447	5.116	30	20	HKED	
C=C(C)Cn1c(SCc2nc([C@H](C)c3ccccc3C)no2)nnc1-c1ccco1	577908879	PONIFHDVKYRSMB-MRXNPFEDSA-N	421.526	5.250	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)o2)cc1	592973579	HVUDWMJCUNZYJF-MRXNPFEDSA-N	404.422	5.388	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](C)C(=O)c1ccccc1	602130191	HUNCYLKYSWPVTA-LJQANCHMSA-N	412.489	5.293	30	20	HKED	
CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	603693495	XAGYOMMQTUOYSA-UHFFFAOYSA-N	415.478	5.019	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OC(F)F)cc1Cl	603758757	FVWDLGNWKQPGCH-SFHVURJKSA-N	412.823	5.849	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)cn2)c1	603829169	LTELEXJYOFBNFH-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
N#Cc1c(NC(=O)Cc2ccc(Br)cc2)sc2c1-c1ccccc1CC2	603992020	MWYPMOIZBORUKB-UHFFFAOYSA-N	423.335	5.329	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCOc4c(Cl)cccc43)cn2)c1	604362077	GAOGLJGOKDDFSJ-LJQANCHMSA-N	420.856	5.044	30	20	HKED	
C=CCCCN(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	605916155	JGJQMRAWLHMMLW-UHFFFAOYSA-N	411.933	5.249	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)NC(C)(C)C	607274671	NDYOSVWZIGWJRT-OAHLLOKOSA-N	424.501	5.154	30	20	HKED	
O=C(Nc1ccc(CC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	608320586	QHHCNHULZZRNOU-GHMZBOCLSA-N	422.291	5.386	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl	609387195	SEQUJUMPIFECHV-STQMWFEESA-N	408.354	5.684	30	20	HKED	
Cc1cccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C	609682832	DMTLNRYJRRRVMA-QFIPXVFZSA-N	400.482	5.573	30	20	HKED	
C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1	609712337	AZAGEWOFCJJKDS-MOPGFXCFSA-N	422.598	5.428	30	20	HKED	
C[C@H]1SCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1c1ccccc1	609819724	PCLIJJKDSTUTTA-UZUQRXQVSA-N	415.518	5.064	30	20	HKED	
CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nccs1	610026909	OKZUUEBGHDQITI-FQEVSTJZSA-N	408.502	5.017	30	20	HKED	
CSCc1c(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)oc2ccccc12	610053457	CTOQSBXUZGFAOS-UHFFFAOYSA-N	416.506	5.222	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc4cccc(F)c4o3)cc2F)c1	610227207	JFPGRYWDJHTQRZ-UHFFFAOYSA-N	404.372	5.414	30	20	HKED	
C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1cccc(C#N)c1	610362892	VJIUKQLICMWQHA-KRWDZBQOSA-N	412.518	5.023	30	20	HKED	
COc1ccc2c(c1)CN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@@H](c1ccccc1)C2	610732572	BEWWUVYFJRBKFD-IQGLISFBSA-N	411.505	5.137	30	20	HKED	
Cc1cccc2c(N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)c(C#N)cnc12	610929818	GQJJMLLAWSVDNE-CYBMUJFWSA-N	402.445	5.274	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3C)n2)cc1	613314771	ZQQGYJQHSKYXJI-LJQANCHMSA-N	416.481	5.242	30	20	HKED	
C=CCN(C(=O)c1oc2ccc(OC)cc2c1C)c1nc(-c2ccccc2)cs1	641900432	MKNYSODYCVSAEP-UHFFFAOYSA-N	404.491	5.706	30	20	HKED	
N#C[C@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1cc(C(F)(F)F)ccn1	643778793	XRZCOWYDBQIGOY-KRWDZBQOSA-N	424.426	5.180	30	20	HKED	
C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1N(C)C	675738571	PVHTVUSGXIKCQN-QJPTWQEYSA-N	400.382	5.452	30	20	HKED	
Cc1cc(C(F)(F)F)ncc1NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	685672822	TWCUNNYIFADQKD-CYBMUJFWSA-N	413.268	5.112	30	20	HKED	
C#Cc1cccc(NC(=S)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c1	726473359	ZJKAKSJEBHPHIX-UHFFFAOYSA-N	406.473	5.055	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3sccc3C2=O)cs1	726892536	MUNFWNRBWYRFFW-RAXLEYEMSA-N	414.939	5.755	30	20	HKED	
Cc1ccccc1C1(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1	727038189	HQDJQFILNVPJNX-CQSZACIVSA-N	400.425	5.532	30	20	HKED	
Cc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1	728393907	YQURUEJXPWDLPV-HNNXBMFYSA-N	409.486	5.529	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12	730418828	BPUQSISQWLUCJL-UHFFFAOYSA-N	409.489	5.134	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)Cc2ccccc2OC)cc1	730686492	GSTPLRCSBPPEBR-FGSXEWAUSA-N	406.526	5.125	30	20	HKED	
Clc1ccc(Cc2nc(CON=Cc3c(Cl)nc4ccccn34)cs2)cc1	736609925	HDXSIPGLRWAPPU-UHFFFAOYSA-N	417.321	5.239	30	20	HKED	
CC(C)Oc1ccc(NC(=S)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	739437054	IAEBSNGGLIFTLD-UHFFFAOYSA-N	407.564	5.561	30	20	HKED	
CCOc1cccc(CNCc2cccc(-c3ccc(C#N)s3)c2)c1OC(F)F	740014520	QPDIHSVFPOZCJZ-UHFFFAOYSA-N	414.477	5.577	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccnc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	741111331	KQFNHHGLEDQCIW-JNLAIUADSA-N	415.905	5.901	30	20	HKED	
Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	742434015	XGIFEZHQUDMDJT-IBGZPJMESA-N	416.546	5.356	30	20	HKED	
CN(C(=O)c1ccccc1OCC#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	748808305	PVPVSINNXYRXSN-QFIPXVFZSA-N	408.860	5.243	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21	753912923	HAOVSUSPDGWMOM-RBDMOPTHSA-N	402.538	5.448	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1	757877884	BWSAKMMWGHJCNZ-JOCHJYFZSA-N	401.535	5.197	30	20	HKED	
C=C(C)Cn1c(SC[C@H](O)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1	759063374	BKODFKNLUWVEBJ-KRWDZBQOSA-N	421.353	5.049	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1SC[C@H](O)c1ccc(Cl)cc1Cl	759065702	IXKDWRBZTDQUJI-SFHVURJKSA-N	420.365	5.187	30	20	HKED	
Cc1c([C@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C(C)C)oc2ccccc12	761688796	OKBBRSJKYIXJMK-DHIUTWEWSA-N	417.509	5.093	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1OC	762415487	GXTYOHMEOGCJGG-WXFJXSOESA-N	418.493	5.168	30	20	HKED	
COc1ccc2c(c1)[C@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)CC2	763945531	SURSJHPOEPDRSX-IEBWSBKVSA-N	408.910	5.378	30	20	HKED	
Cc1nn2c(CNCc3cccc(-c4ccc(C#N)s4)c3)c(C(C)C)nc2s1	766468464	ITQMJXWOCQTUAP-UHFFFAOYSA-N	407.568	5.113	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	768401637	GBVXDSKAVULHBO-AMNDSPJJSA-N	411.590	5.016	30	20	HKED	
CCN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)[C@H](C)c1ccc(C#N)cc1	772221457	HBHJXQPMFLTUND-QGZVFWFLSA-N	407.514	5.057	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2nc(-c3ccccc3F)oc2C)cc1	774576238	AWILBHZRCNRBLI-UHFFFAOYSA-N	408.429	5.051	30	20	HKED	
CC(C)N(CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)OC(C)(C)C	777296743	LBIUZIHBQJPWOU-KRWDZBQOSA-N	413.543	5.022	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2/C=C/c2ccccc2)c1=S	779890033	SSHXPPRFMRDEET-NEQMZLFVSA-N	417.582	5.187	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	780156982	FFJMLZOIIKLEEQ-LBPRGKRZSA-N	417.412	5.372	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1	780669270	ASRHKJUFGIBXRH-HNNXBMFYSA-N	407.420	5.167	30	20	HKED	
C[C@@](O)(CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1	780926899	FZBNXECISBOPPV-XMMPIXPASA-N	420.896	5.027	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1	783735785	NSCDXNAZHVIBLM-LBPRGKRZSA-N	411.474	5.646	30	20	HKED	
N#Cc1ccc(COC(=O)c2csc(-c3cc(Br)cs3)n2)cc1F	791344970	GXTNMIABKPQKNH-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)s1	797571632	TUKQHZLFVSAMHS-MGPQQGTHSA-N	408.445	5.319	30	20	HKED	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	798394838	QBUOFGXQEJOQAH-NRFANRHFSA-N	408.505	5.426	30	20	HKED	
Cn1cc(-c2ccc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)s2)cn1	802648910	XYZMQMUQJOPFNE-UHFFFAOYSA-N	418.497	5.350	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C(\C)c1ccccc1OC(F)F	804558964	NSIDNVIQCAETOU-LICLKQGHSA-N	403.473	5.074	30	20	HKED	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ccccc2F)c1	812459756	FFIUWMFATMHWBT-UHFFFAOYSA-N	416.456	5.142	30	20	HKED	
COc1cc(C=NOCc2cc(Cl)ccc2OC(F)F)ccc1OC(F)F	849969993	SGZPIBCYAWDEPN-UHFFFAOYSA-N	407.747	5.102	30	20	HKED	
C=CCN1C(=O)/C(=C/c2c(C(C)C)nn(-c3ccccc3)c2Cl)SC1=S	914558350	UKPIOVMGIRBIBH-PTNGSMBKSA-N	403.960	5.036	30	20	HKED	
Cc1nc2ccccc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1	914865841	AVXQZOOMOMCSCB-UHFFFAOYSA-N	414.317	5.622	30	20	HKED	
COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)sc2cccc(F)c12	915102167	OACSVWJYBVGXPT-AWEZNQCLSA-N	422.506	5.800	30	20	HKED	
CN(CCOc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915353183	RGIBXQPVZZQGLT-HSZRJFAPSA-N	403.457	5.024	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNCc1cccc2cccnc12	915961884	DZXDDYIDAFYPGR-UHFFFAOYSA-N	403.917	5.321	30	20	HKED	
COc1cc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cc(Br)c1O	916154417	JIQXDNBOZANVBJ-BJMVGYQFSA-N	416.315	5.050	30	20	HKED	
CC(C)Oc1ccccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl	916277143	UVCDKWIFJOBYEM-UHFFFAOYSA-N	407.326	5.210	30	20	HKED	
Cc1sc2ncn(N=Cc3cccc(C(F)(F)F)c3)c(=O)c2c1-c1ccccc1	916283875	XZSBRXSGYCDOQI-UHFFFAOYSA-N	413.424	5.334	30	20	HKED	
Cc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(Br)c1	917025521	MIIXZLCLLWDWHG-IBSYWUHOSA-N	423.335	5.771	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(C)c(C)cc2C)cs1	917563662	RIEUOLWEIIBOHH-JXMROGBWSA-N	424.953	6.302	30	20	HKED	
C=CCN(Cc1ccccc1F)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O	918182487	RWVOMWZHGFATAP-UHFFFAOYSA-N	413.496	5.157	30	20	HKED	
C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCCO1	1286622699	KINSRKMKOSZQPJ-IBGZPJMESA-N	402.970	5.000	30	20	HKED	
Cc1cc(C)cc(CCn2c(CC3CCCC3)nnc2N2CCC(C)(C#N)CC2)c1	1304167460	NXTYPVMVQWSLHY-UHFFFAOYSA-N	405.590	5.000	30	20	HKED	
C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccn(C)c34)cc2)CCC1	1789061997	ZLQYSVBWNCEXRP-GOSISDBHSA-N	415.537	5.138	30	20	HKED	
C=CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1	14723665	DCRKCCFJHWCGMC-UHFFFAOYSA-N	420.494	5.125	30	20	HKED	
Cc1ccc(C[C@H](C#N)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1	24733593	HICAIANJXQTHDW-GOSISDBHSA-N	424.957	5.381	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(C#N)cc3)o2)cc1	26123137	OBWKHCHOERKPLK-SFHVURJKSA-N	407.473	5.680	30	20	HKED	
CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cnn1-c1cccc(Cl)c1	41540048	MTZRJSYBGRGBPW-MRXNPFEDSA-N	404.857	5.280	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1	48103461	FSECJTJHFXLGTF-LJQANCHMSA-N	418.541	5.017	30	20	HKED	
COC(=O)c1sc2ncc(C(=O)/C=C/c3cc(Br)cs3)cc2c1C	58745150	SQIPQORGEKWFNS-ONEGZZNKSA-N	422.325	5.111	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1	64267831	TYKNKUVRIKULHM-UHFFFAOYSA-N	404.535	5.248	30	20	HKED	
CN(Cc1cccc(C#N)c1)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1	106053673	FVNNZKZAIZOLIU-UHFFFAOYSA-N	400.913	5.242	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1coc2c(C)c(C)ccc12	106115982	JZJIIOZSYITXIH-UHFFFAOYSA-N	411.461	5.598	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Br)cc2Cl)cc1	111183030	IGVGKOFRBLKATN-UHFFFAOYSA-N	407.695	5.062	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccccc1F	215611741	ALCABYSNWOAULM-CQSZACIVSA-N	407.474	5.174	30	20	HKED	
COc1ccc2oc([C@H](C)NCc3ccc(OC)c(OCCCC#N)c3)c(C)c2c1	237323569	YSVVWOBRBXDMAT-KRWDZBQOSA-N	408.498	5.292	30	20	HKED	
COCc1cccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	303659156	MKBZXLUFTPTMJW-UHFFFAOYSA-N	406.869	5.080	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)c2nc(C)cs2)cc1	303681821	SAVJSMUIKBKAEU-UHFFFAOYSA-N	422.510	5.181	30	20	HKED	
C[C@@H](N[C@H](C)c1ncc(Br)cc1F)c1ccc(-c2cccc(C#N)c2)cc1	427863133	XYIMYMHJBNOXNQ-HUUCEWRRSA-N	424.317	5.934	30	20	HKED	
COc1ccccc1-c1nnc(S[C@H]2CC[C@@H](C#N)C2)n1-c1ccc(Cl)cc1	430146038	IFSQHXJRTGYPMA-PBHICJAKSA-N	410.930	5.381	30	20	HKED	
CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)s1	430602726	ICMUVLNVXUJCGG-MRXNPFEDSA-N	424.472	5.440	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(C)(C)C)cc3)n2)cc1	432212582	JVEXSHIYXDRSTR-IBGZPJMESA-N	406.507	5.486	30	20	HKED	
CN(Cc1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCCC1	432749948	JYJFOVQEUDCGCK-DEOSSOPVSA-N	418.585	6.008	30	20	HKED	
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433648957	KTNYFSPEUJQRIZ-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
N#CCCSc1ccccc1NC(=O)Cc1cc(Cl)ccc1Br	433774777	NLAPIHOQGIRGFR-UHFFFAOYSA-N	409.736	5.289	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cn(CCCC#N)c3ccccc23)C2CC2)o1	434971029	GQQXPIATPROASA-LAUBAEHRSA-N	401.510	5.466	30	20	HKED	
COc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-]	435566646	OJTMFCYCOHJOQC-SFHVURJKSA-N	421.840	5.165	30	20	HKED	
N#Cc1ccc(C2(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)CC2)cc1	435870772	HHRUOYUMOYRJCZ-UHFFFAOYSA-N	421.953	5.259	30	20	HKED	
CC[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1cccc(F)c1	440365342	JAKVZWRIMMYPEC-NVXWUHKLSA-N	401.507	5.057	30	20	HKED	
C=CCC[C@H](NC(=O)N(CC)[C@H](C)c1cccnc1)c1ccc(C(F)(F)F)cc1	441531242	BQSUJAZKHDFYQH-UZLBHIALSA-N	405.464	5.900	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cccc2c1CCC(C)(C)O2	441834467	SCNCKJYHBUENKE-INIZCTEOSA-N	410.539	5.202	30	20	HKED	
N#C[C@@H](C(=O)c1ccccc1Sc1ccccc1)c1nc2ccccc2n1C(F)F	442675839	ABRNZWXUPOJIDI-KRWDZBQOSA-N	419.456	6.073	30	20	HKED	
C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Oc2cccc(C#N)c2)CC1	443635729	YQLISDOSSCBCFP-INIZCTEOSA-N	407.901	5.471	30	20	HKED	
CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1C	444038858	ZVDNAQVLEOMBBU-RBDMOPTHSA-N	424.976	5.332	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1	444904375	HUSIDHLYNCECNC-OXJNMPFZSA-N	413.974	6.351	30	20	HKED	
Cc1cc(F)ccc1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	446758538	ATLBNYAGIJVFQE-UHFFFAOYSA-N	417.484	5.143	30	20	HKED	
COCCCOc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	460162815	PLFXFOIJVUOTRT-UHFFFAOYSA-N	402.450	5.018	30	20	HKED	
N#Cc1c(NC(=O)CCc2cncc3ccccc23)sc2c1-c1ccccc1CC2	462443285	XDXOGRLHQGBFGL-UHFFFAOYSA-N	409.514	5.505	30	20	HKED	
CC(C)N(Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1)C[C@H]1CCCCO1	462607243	SQYUIWOYEMFNJW-NBGIEHNGSA-N	419.569	5.080	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1	463140293	KTNJPOYFYDRASM-OAHLLOKOSA-N	407.495	5.465	30	20	HKED	
CCSc1cccc(Br)c1NC(=O)c1ccc(C(C)(C)C#N)cc1	464714695	VQJLIQGNYHBYKY-UHFFFAOYSA-N	403.345	5.615	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1	464814161	LDOZAJRJBDAPLV-OALUTQOASA-N	412.415	5.027	30	20	HKED	
COc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1	467071560	JGBVNWYPVAUZPL-GOSISDBHSA-N	419.893	5.510	30	20	HKED	
O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccccc1C(F)(F)F	468068356	KFHNRZLQQDDTDI-UHFFFAOYSA-N	405.313	5.325	30	20	HKED	
C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccccc1Sc1ccccc1C#N	468950142	KPUZQPFLGSMDCM-QGZVFWFLSA-N	400.503	5.101	30	20	HKED	
C=CCC[C@@H](NC(=O)Cc1ccccc1NC(C)=O)c1ccc(C(F)(F)F)cc1	469688527	BORWBZGSIBHTKS-LJQANCHMSA-N	404.432	5.030	30	20	HKED	
C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccsc2)O1	470692357	FUPLTNIWSOIXKP-ZHRRBRCNSA-N	404.491	5.014	30	20	HKED	
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1	472017165	NLOIBCKNFYRIOW-FQEVSTJZSA-N	414.896	5.145	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1	474428614	DDSSHRVHIJDAMF-UHFFFAOYSA-N	423.969	5.771	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1	474524495	FVBQGBDSLHZOJU-JOCHJYFZSA-N	409.892	5.361	30	20	HKED	
COc1ccc([C@H](C)[C@@H](C)NC2CCC(Oc3ccccc3C#N)CC2)cc1OC	474813634	AAWPENNCPNDWSJ-NFAVZRQZSA-N	408.542	5.047	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCc2c(O)cccc21	476009701	IOCDMATYNNTICD-HSZRJFAPSA-N	412.489	5.210	30	20	HKED	
C=C(C)Cn1c(SCC(=O)Nc2ccc3oc(C)c(C)c3c2)nnc1-c1ccco1	477944329	MKFMYIQFXLOLDT-UHFFFAOYSA-N	422.510	5.208	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	479680754	XWCSSXNPNQGMEB-UHFFFAOYSA-N	415.543	5.968	30	20	HKED	
C[C@H](c1ccccc1)N(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CC1	480369772	WBQHSJDARJHAOE-OAHLLOKOSA-N	405.889	5.155	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(C(CC)CC)c1CC	482188803	SGEURFGHXXXEOH-UHFFFAOYSA-N	400.571	5.194	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1)c1ccccc1	488688781	UIVSFZCJONDKSL-JOCHJYFZSA-N	402.494	5.358	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3ncc(-c4ccccc4)o3)o2)cc1	489809250	VGNBHLGSNRGTJW-HNNXBMFYSA-N	405.479	5.810	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2nc(C(F)F)sc2c1	490646871	QEYIZODGZVVXSL-UHFFFAOYSA-N	403.454	5.463	30	20	HKED	
CCOc1cc(Cl)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	496550341	JAUVLISOURKZJT-KRWDZBQOSA-N	412.898	5.361	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	499851401	NMCJXOZVQWLWAR-JOCHJYFZSA-N	408.860	5.129	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCCc3ccc(Br)s3)CC2)cc1	504014585	WYTGWUHUZKYLFA-UHFFFAOYSA-N	415.356	5.021	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2cccnc2)cc1	511384821	RSXWMYZXUNVMLM-DEOSSOPVSA-N	412.493	5.096	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(OC3CCCCC3)CC2)c1	513285399	YKSGQHHUYCCRKY-UHFFFAOYSA-N	418.537	5.091	30	20	HKED	
C=CCN(CC=C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F	515153175	WTESKKVCYPKCLI-UHFFFAOYSA-N	421.394	5.303	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	517335229	JZSKPJKZDRSRFV-BJKOFHAPSA-N	412.489	5.197	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Br)cc1	517460813	XRDZEFDQGRGVCG-KBPBESRZSA-N	418.360	5.140	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	517646713	HBVJNRNZSWAQOR-INIZCTEOSA-N	414.490	5.250	30	20	HKED	
Cc1cc(Br)ccc1NC(=O)CNc1ccccc1S[C@@H](C)CC#N	518759173	SYCHVOAFYUYCGC-AWEZNQCLSA-N	418.360	5.202	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cnn1-c1ccccc1F	519977066	CFLXSNZLKDWBCL-UHFFFAOYSA-N	412.424	5.236	30	20	HKED	
COc1ccccc1[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	521735032	WPEORJKAEQVAPJ-CQSZACIVSA-N	422.472	5.852	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1	523125880	ROCZOUADCMULCC-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2)n1	523487129	JCORUUFFDBAVTI-QGZVFWFLSA-N	402.306	5.420	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	524458717	CSVFCJDLOKQPBD-UHFFFAOYSA-N	423.513	5.591	30	20	HKED	
N#CCC[C@H](NCc1ccc(Br)c(Br)c1)c1ccccc1	533038388	NCKAFXSGVQCWKJ-KRWDZBQOSA-N	408.137	5.346	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1	533356147	YMYNTDUTVPZZAW-JKSUJKDBSA-N	424.595	5.322	30	20	HKED	
COc1ccccc1-c1cc(NC(=O)c2ccc(CC#N)cc2)n(-c2ccc(C)cc2)n1	533999125	FBCWLRUVYJXDGC-UHFFFAOYSA-N	422.488	5.175	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2coc(-c3ccccc3Cl)n2)cc1	538444546	CSVHHKAITYXMMH-UHFFFAOYSA-N	421.884	5.062	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1	540577662	DERJFBUVLOWMSX-INIZCTEOSA-N	418.362	5.089	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)c1cc(Cl)ccc1C#N	541015767	MQLJFPICUSYZCD-UHFFFAOYSA-N	420.683	5.759	30	20	HKED	
C=CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)cs1	542513774	SFJBTBKJICKPKI-AWEZNQCLSA-N	411.458	5.180	30	20	HKED	
N#Cc1ccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c(OC(F)F)c1	543981295	NSCJDVRZBVPIEL-HXUWFJFHSA-N	413.855	5.282	30	20	HKED	
Fc1cccc([C@H](NCc2nc3cc(C(F)(F)F)ccc3o2)C(F)(F)F)c1F	544124842	NUOFTMZAVIUXKR-HNNXBMFYSA-N	410.264	5.518	30	20	HKED	
C=CCOc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1Cl	546562915	PVBPSYRWMMJFEH-NRFANRHFSA-N	402.325	5.171	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2cccc(Br)c2Cl)c1	549023818	ZLXKNMZYWPJBCK-UHFFFAOYSA-N	407.695	5.162	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1	551595359	CSAZDNCVUYHZNX-QFIPXVFZSA-N	405.542	5.252	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cc(Br)cs1	553664841	DQFYSNZZUPCAGZ-LBPRGKRZSA-N	424.389	5.569	30	20	HKED	
O=C(NCC1(C(F)(F)F)CC1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1	554284432	PKWSRGREGOUWPA-UHFFFAOYSA-N	412.349	5.018	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	554877211	XUQPVKSSQISOSN-PBHICJAKSA-N	411.493	5.525	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)c1cccc(Br)c1	561240657	MOWHCJIYOWJWHQ-UHFFFAOYSA-N	418.379	5.109	30	20	HKED	
C=CCCOCCCCC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1	581092286	QVPVHTZLQYGGEM-UHFFFAOYSA-N	404.963	5.111	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(NC(=O)c2ccncc2)cc1	584441793	FMSPDASHYRZVDC-OAHLLOKOSA-N	424.426	5.075	30	20	HKED	
CC(C)(C#N)c1ccc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)cc1	589094367	XMFFZWMBGQXRHD-UHFFFAOYSA-N	410.477	5.103	30	20	HKED	
CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(I)cc1	590256878	CPUYRIFQASKTSW-WOJBJXKFSA-N	418.322	5.767	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4onc(C(C)(C)C)c4c3)n2)cc1	590388692	NVLURXYEKWAHCU-QGZVFWFLSA-N	416.506	5.442	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3c(C)noc3n2)c(C)o1	591311577	QKHBNHPPEWXORH-UHFFFAOYSA-N	406.467	5.210	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc2ccccc2n1	603835652	DJMMLIBACSHBGS-LJQANCHMSA-N	408.417	5.377	30	20	HKED	
Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)nn1	606145676	JDXLRQBEQPNFTH-IBGZPJMESA-N	411.490	5.142	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)ccc1OCC(F)(F)F	608994708	RHOILXOKBUAYGL-KRWDZBQOSA-N	417.431	5.301	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c4ncccc34)o2)cc1	609056621	WQOSGVKQQZKINU-UHFFFAOYSA-N	403.825	5.184	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCOc2ccccc21	609101844	JHWUIYVBXFWTFA-QFIPXVFZSA-N	400.453	5.105	30	20	HKED	
CCOc1ccc([C@@H](NC(=O)c2cc3ccccc3n2CC#N)C(C)C)cc1OCC	609161088	HZNBGTPCDFKSFG-DEOSSOPVSA-N	419.525	5.089	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)N(C)c3ccc(C#N)cc3F)c2)c(C)c1	609217802	TZJSVLFOKUAZCZ-UHFFFAOYSA-N	404.510	5.883	30	20	HKED	
CC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	609378462	NFUCCCKPQAKLPD-UHFFFAOYSA-N	408.445	5.751	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(F)c(Br)c1	609394553	XXZVBBIRRSLZMN-CQSZACIVSA-N	418.310	5.143	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1	609436611	BSMJONSVQISOSL-KBPBESRZSA-N	402.589	5.718	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1	609475544	HWYUNQNJRVDAQD-KRWDZBQOSA-N	421.460	5.146	30	20	HKED	
N#Cc1ccc(-n2c(SCc3ccc4ccccc4n3)nc3ccccc3c2=O)cc1	609852091	XTQCCRFKDXSURU-UHFFFAOYSA-N	420.497	5.098	30	20	HKED	
CN1CCC[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1cccs1	610180678	LXOCMEROFWZNKM-YADARESESA-N	415.562	5.100	30	20	HKED	
COCc1nc(N[C@H](C)c2cccc(C#N)c2)c2c(-c3ccccc3)csc2n1	610340400	RNQJBIKYDAIHQH-OAHLLOKOSA-N	400.507	5.549	30	20	HKED	
Cc1noc(C(F)F)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	610425830	CRXKSEBMSWMMQL-UHFFFAOYSA-N	417.799	5.277	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(C(F)(F)F)c1	611376273	LLQXYZFTWUODAK-GJZGRUSLSA-N	421.488	5.246	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	611902615	WGFXKYVJSMHMMO-INIZCTEOSA-N	400.526	5.285	30	20	HKED	
CSc1cccc([C@H](NC(=O)N2CCC[C@](C)(C#N)C2)c2ccc(F)c(F)c2)c1	612375542	YEPPPSNWLYRVMO-RBBKRZOGSA-N	415.509	5.111	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1	618891470	AAMXGYYVDOIJOQ-OAQYLSRUSA-N	424.529	5.144	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)C(=O)NCC(F)(F)F	620343544	KNLVMDQRMIPSSX-JTQLQIEISA-N	424.316	5.116	30	20	HKED	
O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc(C#Cc2ccccc2)c1	642362265	DOJFGUGPXBUACU-UHFFFAOYSA-N	407.473	5.098	30	20	HKED	
N#C[C@@H](C(=O)c1ncsc1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1	670115958	RLZYIWBOXKHUGB-ZETCQYMHSA-N	421.347	5.280	30	20	HKED	
O=C(Nc1ccc(CCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674680397	YRPJRNMVNRTPAD-TXEJJXNPSA-N	422.291	5.386	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1	675627545	LNMLGEQNPWTOJS-UWVGGRQHSA-N	423.275	5.225	30	20	HKED	
CCC(CC)n1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1	676241701	GLWXTZBJEKSXOU-ZDUSSCGKSA-N	406.433	5.363	30	20	HKED	
O=C(/C=C\c1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1)c1ccc(O)c(F)c1	728439184	WVJDPIRLIAISGN-VTBWALSUSA-N	406.384	5.168	30	20	HKED	
COc1ccc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)c(OC)c1OC	728441174	FYPZJENYVUJULG-LUAWRHEFSA-N	413.470	5.180	30	20	HKED	
Cc1csc([C@H](C#N)C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1	730393709	AQBJWROXEIPIEN-DNVCBOLYSA-N	416.930	5.954	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc2cc(F)ccc2s1	730417132	LCBLPLKKORMBRM-SFHVURJKSA-N	402.450	5.428	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Cl	731064530	YTUWVTGQHMEIPU-LBPRGKRZSA-N	423.321	5.183	30	20	HKED	
CC(C)c1nc(C#N)c(NN=C(CC(F)(F)F)c2ccc(Br)cc2)o1	731926488	GLUHTDXQBUCALT-UHFFFAOYSA-N	415.213	5.201	30	20	HKED	
C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccc(Cl)cc2[nH]1	732520760	HYOGCVZOHJPVPZ-ZDUSSCGKSA-N	418.840	5.193	30	20	HKED	
CCCC[C@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)Nc1cc(C)on1	732916586	UZQNLPMCCRRVEO-YADHBBJMSA-N	402.498	5.248	30	20	HKED	
CCc1oc2ccccc2c1CN(C)C(=O)NCc1cccc(O[C@@H](C#N)CC)c1	733807262	SZKWKGAOTYIHND-GOSISDBHSA-N	405.498	5.018	30	20	HKED	
Cc1ccc(-c2ncc(C=Nn3c(S)nnc3SCc3ccccc3)s2)cc1	734295845	CIBPARSZILGCLG-UHFFFAOYSA-N	423.592	5.173	30	20	HKED	
N#C[C@H](NC(=O)/C=C\c1ccnc2ccccc12)c1ccc(OCc2ccccc2)cc1	735469457	AWGQQWMBWPCJPH-PKLZTIHGSA-N	419.484	5.208	30	20	HKED	
COc1ccc(-c2ccc(/C=C/C(=O)c3c(Cl)nc4ccccn34)o2)c([N+](=O)[O-])c1	737446352	QQTNFEPQRKDJOH-RMKNXTFCSA-N	423.812	5.061	30	20	HKED	
C=CC[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccncc1	741694269	XKRZECDHHGZSFZ-QGZVFWFLSA-N	414.292	5.623	30	20	HKED	
CCc1ccc(-c2ccc(C(=O)NCc3ccc(OC)c(O[C@@H](C#N)CC)c3)o2)cc1	742673744	BHWCSKQHRSZVED-HXUWFJFHSA-N	418.493	5.129	30	20	HKED	
CCCN(C(=O)NCc1cc(C#N)ccc1F)[C@H](C)c1ccc(Cl)c(Cl)c1	745893340	RVOKJYNAZRGBTL-CYBMUJFWSA-N	408.304	5.687	30	20	HKED	
C=CCC[C@H](NC(=O)N[C@H]1CCCc2nc(C)ncc21)c1ccc(C(F)(F)F)cc1	749868947	CYLQXZMBTQEHOT-ICSRJNTNSA-N	418.463	5.188	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@H]1c1cc(C)on1)c1ccc(C(F)(F)F)cc1	749872049	RQYWCAHVETZJNU-HKUYNNGSSA-N	407.436	5.556	30	20	HKED	
CSc1ccc2cc(Cn3nc(C(C)(C)C)c(CCC#N)c3O)c(Cl)nc2c1	758422834	FFPJYJNABUNZTF-UHFFFAOYSA-N	414.962	5.314	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3ccccc3cc2OC(F)F)c1	761703470	UULYJVKNRZPYNP-SFHVURJKSA-N	410.420	5.052	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2cccc3ccccc23)c1=S	764902932	UCHGOHASZBBCMG-UHFFFAOYSA-N	415.566	5.295	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2)cc1	766489540	FHSTUXGPLBUACC-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	771260303	FSHKXXDVJWCCLN-KDQAPYGTSA-N	400.290	5.402	30	20	HKED	
C=C[C@H](CC)OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1	776104174	MVLXCJWBMZSPTR-DZGCQCFKSA-N	414.552	5.193	30	20	HKED	
C[C@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccc(OCC#N)cc1	776847822	ORRWHEZPRPIDBL-KRWDZBQOSA-N	402.450	5.070	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@H](C)c1cccc(C#N)c1	782593749	VTTMLIHJVXUBLP-GFCCVEGCSA-N	400.356	5.459	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N=Cc3cc(Cl)cc(Cl)c3O)ccc21	787141814	QCXDUOJEQLWANS-UHFFFAOYSA-N	402.281	5.033	30	20	HKED	
CCCCCCCC[S@](=O)Cc1nc(-c2ccc(Br)s2)no1	790139405	MBDGIDUVBZCPLN-QFIPXVFZSA-N	405.383	5.170	30	20	HKED	
Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc2)n1	792105202	UAHNJOTWUPUIQF-QGZVFWFLSA-N	416.531	5.177	30	20	HKED	
CCCC1CCC(N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1	792458075	ZEBGECZGFXDGRE-PBSMCPNCSA-N	417.553	5.098	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)cc1	793408610	WQLUAHAEBHGXST-UHFFFAOYSA-N	423.513	5.301	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3ccc(O)cc3C2=O)cs1	794960424	RTCDBTOAVDOYPZ-BOPFTXTBSA-N	404.491	5.054	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(Br)c3cccnc23)cc1Cl	800823732	OILMJINXVIUQLT-UHFFFAOYSA-N	417.719	5.331	30	20	HKED	
CC(/C=C/C(=O)c1ccc(N2CCOC2=O)cc1)=C\c1cccc(C(F)(F)F)c1	806571983	SEGIAFJZFVTMOY-JHVODGNPSA-N	401.384	5.504	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](CCOC)c1ccc(Cl)c(Cl)c1)c1ccncc1	806819214	NPYXFDCTLVZPIT-MOPGFXCFSA-N	408.329	5.083	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3ccccc3)c(C)n2)c1	810275738	XEQWSLIAKLKVPH-HXUWFJFHSA-N	400.482	5.060	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(Br)c(Cl)c1)c1nc2cc(F)ccc2s1	810577006	XUGIYAFVMKPTLC-NSHDSACASA-N	423.694	5.270	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(=O)c2ccccc2)c1	813217969	KYZPRZPKZZWIDE-MGPUTAFESA-N	422.406	5.311	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(C)n1[C@@H](C)c1ccccc1	813218564	XMNOQWWJWDZBMX-MGPUTAFESA-N	411.427	5.618	30	20	HKED	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)c(C)c1	814278678	ZLCQGDDGFNNDAY-ZHZULCJRSA-N	407.564	5.059	30	20	HKED	
CS(C)(=O)=Nc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1	821215705	XSFXJXDDQJHRTI-UHFFFAOYSA-N	405.523	5.108	30	20	HKED	
CC(=O)Nc1cccc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	864011517	ZCHVCYWXGMCCHJ-UHFFFAOYSA-N	405.885	5.361	30	20	HKED	
CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915350254	ONHBQAHMWJNMSV-FGZHOGPDSA-N	401.535	5.945	30	20	HKED	
N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nc2ccccc2s1	916847958	YYDVGDFWCDDQKS-HNNXBMFYSA-N	411.324	5.357	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	916884196	SIAQGOHANWIYHY-HYJLXUOHSA-N	406.841	5.015	30	20	HKED	
Cc1[nH]c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2c1C	916927062	DKHQIMGGQUEOCE-OAHLLOKOSA-N	400.265	5.053	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(SC(F)F)cc1	916928650	QFUFVEFULRISMK-GFCCVEGCSA-N	415.248	5.269	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2nc(-c3cccs3)oc2C)cc1	916948254	FMMLEIDQGIZHDI-KSSFIOAISA-N	421.522	5.115	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1	916950561	VDVXXLZWCKYYCK-KDOFPFPSSA-N	420.900	5.205	30	20	HKED	
Cc1cc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1Cl	917047161	SFJWTYXNYBIUSP-FZMZJTMJSA-N	405.306	5.555	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2o1	917510126	PKNNVKCJXRIMKV-GJBLVYBDSA-N	424.300	5.755	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3ccccc3C(F)(F)F)cs2)cc1	920062903	FFNWIKPTAGGCOQ-WDZFZDKYSA-N	419.424	5.646	30	20	HKED	
COc1cc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)ccc1OCc1ccccc1	920066122	RERFSAKVMVGZET-PDGQHHTCSA-N	418.445	5.086	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCOc3cccc(C)c3)n2)cc1	920143882	KVEJXWJMNMSSTF-OAQYLSRUSA-N	420.534	5.553	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1	1789456891	YPGZTDOJABFMGG-SFHVURJKSA-N	412.917	5.449	30	20	HKED	
C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)C1	1823702937	GCTWLNXIHPKBRX-KIFXHHALSA-N	414.634	5.035	30	20	HKED	
C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)C1	1831562529	SCEOAOYXNCMVSH-KIFXHHALSA-N	414.634	5.035	30	20	HKED	
Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(O)c2)cc1C	11161549	VNLAVXJDWFWXES-UHFFFAOYSA-O	419.570	5.273	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccco1	29548629	ZWKDOUGMIICPMZ-HZPDHXFCSA-N	410.543	5.357	30	20	HKED	
Cc1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)o1	47570436	OVLNNCRFADULEZ-UHFFFAOYSA-N	415.493	5.430	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	58521675	KEJBOPHHEXVJRO-UHFFFAOYSA-N	412.493	5.095	30	20	HKED	
Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	61167716	IZVGVSVMYZKIEH-UHFFFAOYSA-N	418.522	5.125	30	20	HKED	
CC(C)OCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	63816177	OURZPEWOKFOUFI-UHFFFAOYSA-N	416.546	6.028	30	20	HKED	
CCCOc1c(Br)cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	97992950	XKNSSFDPXBKJRM-WTKPLQERSA-N	420.259	5.051	30	20	HKED	
O=C(/C(=C(\S)Nc1ccccc1F)[n+]1ccccc1)c1cc(Cl)ccc1Cl	98069596	FXECRYBVWHOKSL-UHFFFAOYSA-O	420.316	5.471	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)c2)cc1	303205277	PNRSMWLMQUJVKM-DEOSSOPVSA-N	414.461	5.161	30	20	HKED	
CCCO[C@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1	303391945	OYQQDWFTIORMHB-QFIPXVFZSA-N	421.541	5.145	30	20	HKED	
Fc1ccc([C@@H](CC(F)(F)F)N[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1	427520592	BGHDTOCSIMOOSM-DLBZAZTESA-N	406.345	5.900	30	20	HKED	
FC(F)Oc1ccccc1[C@H](NCc1ncccc1C(F)(F)F)C(F)(F)F	429336182	PXQZASKRDLOPCI-ZDUSSCGKSA-N	400.269	5.095	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c(Cl)c1	430353142	BQMYVHYOIAVWNH-UHFFFAOYSA-N	409.854	5.523	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1ccccc1COCc1ccccc1)c1ccccc1	432668245	NISAYFSPGWBWOB-XMMPIXPASA-N	413.521	5.960	30	20	HKED	
Cc1c(Br)ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1F	433748141	PVJCLEAQBXCWLK-UHFFFAOYSA-N	404.283	5.211	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](CC(F)(F)F)C1	434240060	PGCLJGMGGYYSSH-QMMMGPOBSA-N	408.264	5.530	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1	435136092	YIPPEHNTNZQPRR-INIZCTEOSA-N	411.958	6.055	30	20	HKED	
CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	435675492	WJTYMNQZDXBKLZ-QFIPXVFZSA-N	415.493	5.156	30	20	HKED	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NCc1cc(C#N)ccc1F	437972899	CEEFLDRCCRKYEB-UHFFFAOYSA-N	407.420	5.046	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1	438052808	SNMOQBAVWGLPMD-IAGOWNOFSA-N	405.527	5.149	30	20	HKED	
N#Cc1ccc(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1C(F)(F)F	438627863	BMQLVEHOMRBXBE-UHFFFAOYSA-N	419.403	5.026	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438665704	QQKVJSYTIWBMRC-UHFFFAOYSA-N	407.470	5.771	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc2cc(Cl)ccc2s1	442667738	AAXWDDNACNIZHW-SFHVURJKSA-N	419.893	5.414	30	20	HKED	
N#C[C@@H]1N(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CCC[C@]12CCCCO2	442805316	YIMQDOQNZHTNFK-LAUBAEHRSA-N	418.324	5.056	30	20	HKED	
CN(C(=O)c1cn(CCCC#N)c2ccccc12)c1cccc(OC(F)(F)F)c1	444079131	FLYCNQXPEKZMPC-UHFFFAOYSA-N	401.388	5.120	30	20	HKED	
C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(C)s1	460553804	YBZOOSMFTYQTEO-GOSISDBHSA-N	424.570	5.153	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	466604318	MZWGMCGYGMBWKU-HXUWFJFHSA-N	403.486	5.005	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1	467538598	XDKDNZLOPBNGEW-UHFFFAOYSA-N	405.538	5.156	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)c1	470886283	OFCJSJUHHGFHLG-CPJSRVTESA-N	423.516	5.005	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(OCc2ccccc2OC)CC1	475563561	QCAKTOTVYYFHRO-UHFFFAOYSA-N	422.569	5.760	30	20	HKED	
N#C[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1c(Cl)cccc1Cl	476253451	KJFVKKJZQPZCOW-HNNXBMFYSA-N	420.296	5.180	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3[nH]c4ccccc4c3Cl)c2)c1	480011628	QSQLSLNSGVRZCP-UHFFFAOYSA-N	401.853	5.524	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@]2(C1)OCc1ccccc12	480561651	HDNBIDXCYAKESH-GAJHUEQPSA-N	407.539	5.134	30	20	HKED	
C[C@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)C(=O)Nc1cccc(C#N)c1	481701035	YKJMYCVRKZOTJY-LBPRGKRZSA-N	416.428	5.140	30	20	HKED	
CCc1c(NC(=O)c2ccc(C3(C#N)CC3)cc2)cnn1-c1ccc(C(F)(F)F)cc1	481857314	IZJLLTUKDTXBLJ-UHFFFAOYSA-N	424.426	5.261	30	20	HKED	
COCCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H]1CC[C@H](C)C1	483703527	TZQNESLQULKCKV-PGRDOPGGSA-N	421.541	5.115	30	20	HKED	
Cc1cc(Br)ccc1SCC(=O)N[C@@H](CCCC#N)c1ccccc1	487514641	NBFGHUXFOSOAJD-SFHVURJKSA-N	417.372	5.401	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)c1	487594104	GLWIHIUYYJCCEW-UHFFFAOYSA-N	414.358	5.547	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3ccc4oc(C(=O)OC)cc4c3)o2)cc1	489750970	ASVXZZAZVXPEFL-UHFFFAOYSA-N	422.462	5.127	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1	490647891	JMXDMTOADDLVEC-UHFFFAOYSA-N	406.294	5.266	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1O	494492533	CYYJADGHVPZXGR-UHFFFAOYSA-N	418.215	5.096	30	20	HKED	
CC(C)[C@H](NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1	500280279	IWBYHUQFISZBQO-SANMLTNESA-N	413.521	5.063	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1	503081155	HODHWXZOYFJKBQ-UHFFFAOYSA-N	401.463	5.346	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc(C(C)C)o3)n2)o1	504538476	KLBUUOUPEXLCTH-UHFFFAOYSA-N	408.405	5.339	30	20	HKED	
Cc1cc(F)cc([C@@]2(F)CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1	505325907	QKWZIQDVOAQAEO-KSFYIVLOSA-N	415.509	5.631	30	20	HKED	
Cc1cc(Cl)c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1C	510366363	FYOMFOARJIVWBZ-UHFFFAOYSA-N	414.943	5.225	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(C(C)(C)C)CC1	510656432	FDNFBSUIABTUDV-UHFFFAOYSA-N	406.530	5.043	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1	513141317	PSNJBWUCQQPDLJ-NRFANRHFSA-N	418.493	5.243	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2C#N)C1	514772932	BDIGILSJAOIGCY-HNNXBMFYSA-N	415.518	5.249	30	20	HKED	
N#CCCCn1cc(-c2nc(Cc3ccccc3OC(F)F)no2)c2ccccc21	515537590	IECRGABSXOLFAM-UHFFFAOYSA-N	408.408	5.187	30	20	HKED	
COc1ccc(-c2nc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cs2)cc1	515687723	BJDPFPZLYZUERU-UHFFFAOYSA-N	417.515	5.671	30	20	HKED	
N#Cc1ccccc1OC1CCC(NCc2cccc(OCc3ccccn3)c2)CC1	517709648	OTYZMYWGAGLZOP-UHFFFAOYSA-N	413.521	5.012	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2ccnc2)cc1	518946304	OJPCGJHMXDVNEU-UHFFFAOYSA-N	424.479	5.098	30	20	HKED	
CN(C)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F	519374259	LCIPOPKDQMLXKZ-IBGZPJMESA-N	407.876	5.453	30	20	HKED	
N#C[C@@H](C(=O)c1cc(Br)cc2ccccc12)c1nc2ccccc2s1	520751151	ZKQSPDDESXYQNK-INIZCTEOSA-N	407.292	5.702	30	20	HKED	
C[C@H](S[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(OC(F)(F)F)cc1	521330138	GSBHVCBEMOELQI-UONOGXRCSA-N	400.466	5.111	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1OC	521335017	KHUMSQXPBALWOF-CZUORRHYSA-N	406.320	5.029	30	20	HKED	
C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccc(C#N)cc1	522822150	FVAPKYAGEHFSLC-MRXNPFEDSA-N	402.548	5.645	30	20	HKED	
COc1cccc(NC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1	523006440	CPWBWNQJWDLSIY-KRWDZBQOSA-N	424.570	5.055	30	20	HKED	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F	524383407	AVBNZAPEUNHLSY-UHFFFAOYSA-N	419.840	5.497	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)c2)c1	524503414	OBXXARDTEQVESH-QFIPXVFZSA-N	424.422	5.561	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C	531076086	VZKQXUBHSWPEKM-BEFAXECRSA-N	416.978	5.159	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(F)cc2F)CCC1	534233376	CGOXHMGTKPXXIR-AWEZNQCLSA-N	401.482	5.417	30	20	HKED	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N	534433699	USDSTKSWDLABAL-INIZCTEOSA-N	416.616	5.079	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c2c1	535377613	SQUJSXIHGNWQNF-IBGZPJMESA-N	404.429	5.237	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	537025433	VHMAQSZJQVCDRQ-MSOLQXFVSA-N	411.571	5.157	30	20	HKED	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1sc2c(c1C#N)CCC2	537709152	FQOFPYJQJOOTLT-UHFFFAOYSA-N	407.564	5.452	30	20	HKED	
CC(C)[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCO1	539029655	MTDHFLIZXRAQBO-LAUBAEHRSA-N	413.905	5.329	30	20	HKED	
C=CCC[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1	540149739	YWGNHMGYUYUZJR-YWZLYKJASA-N	411.489	5.467	30	20	HKED	
Cc1ccc(-c2nnc(SCc3cccc(C#N)c3F)n2Cc2ccco2)cc1	540347133	UTBBZWUMEXILAV-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
CSc1ccc(C)c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	540547545	GTRMRSLIWBLZSQ-UHFFFAOYSA-N	404.539	5.363	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccc(Cl)cc1	540854422	QBYCUINYBQGQAE-HNNXBMFYSA-N	410.930	5.481	30	20	HKED	
CCN(C(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)c1ccc(C#N)cc1	543790235	NYBFCPNCDUHHOS-UHFFFAOYSA-N	400.265	5.495	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1	549221136	QUFNAAPDJZFGFB-INIZCTEOSA-N	416.443	5.092	30	20	HKED	
N#CCCC[C@@H](N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1	551223903	ZIWGQFYGDWSUKA-NHCUHLMSSA-N	405.542	6.351	30	20	HKED	
C=CCn1c(SCc2ccc(C(F)(F)F)cn2)nnc1-c1ccc(Cl)cc1	551413733	KQFCKZKNZPJGDT-UHFFFAOYSA-N	410.852	5.491	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nn1C(F)F	556504885	XNUXJYSFIRYRSA-MJOKBVDLSA-N	416.497	5.001	30	20	HKED	
C=CCCOCCCCC(=O)N1CCCC[C@H]1Cc1ccccc1Br	567423087	AROFHYBHUASISL-IBGZPJMESA-N	408.380	5.136	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	591839434	LPOXISQGSFIIFA-UHFFFAOYSA-N	414.374	5.569	30	20	HKED	
C=CCN(C(=O)[C@@H](CC)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603458809	ABMZKEYHELIXMU-IBGZPJMESA-N	407.495	5.431	30	20	HKED	
C=CCN(C(=O)CCCOc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	603459334	PUVKOTMEPBTZMK-UHFFFAOYSA-N	423.494	5.097	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Oc2ccccc2)cc1	603601122	QJDUUOWEPUXCSP-UHFFFAOYSA-N	421.456	6.099	30	20	HKED	
CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c(C#N)c1C	604394748	HSCHFDLNEJPWKE-LLVKDONJSA-N	424.444	5.256	30	20	HKED	
Cc1cccc2nc([C@H](C#N)C(=O)c3sc4cc(Cl)ccc4c3Cl)[nH]c12	605363641	UNZFSPBBPSWHSK-GFCCVEGCSA-N	400.290	5.883	30	20	HKED	
Cc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccc(C#N)cc3)c([N+](=O)[O-])c2)cc1	608974655	VDSJKMYQZUHKBE-MRXNPFEDSA-N	400.438	5.200	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	609297368	NQHUGMCMGSLLSU-JOCHJYFZSA-N	408.473	5.328	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)NCc3ccc(C#N)cc3F)c(C)c2)n1	609424508	WAEUJHYCDUIIMU-UHFFFAOYSA-N	412.515	5.244	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(OC2CCCC2)c1	609438552	KAJDFBHVBQIRDJ-INIZCTEOSA-N	410.543	5.119	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)sc2c1	609460657	OZPOHQYAGNHEGD-AWEZNQCLSA-N	408.832	5.877	30	20	HKED	
CC(C)Oc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Cl	609499776	SWVCSAHVWYCJIE-UHFFFAOYSA-N	407.857	5.438	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1noc(-c2cccc(F)c2)n1	610424282	AZTMMKGBLGLLQI-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C	615971646	PQCPFFRERBVLOW-UHFFFAOYSA-N	418.472	5.240	30	20	HKED	
Cc1c(Cl)cccc1Nc1nnc(SCC(=O)c2ccc(C#N)cc2)s1	677304485	BFWWWKOAIARMSP-UHFFFAOYSA-N	400.916	5.090	30	20	HKED	
N#Cc1ccc(CSCC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1	728033839	RAFNOZQQOCXTHP-IBGZPJMESA-N	404.457	5.174	30	20	HKED	
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cccc(Cl)c1	728062478	KLZAOTPDSLAMIP-INIZCTEOSA-N	405.885	5.230	30	20	HKED	
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1)c1ccc(O)c(F)c1	728439182	WVJDPIRLIAISGN-NXZHAISVSA-N	406.384	5.168	30	20	HKED	
COc1ccccc1/C(C)=C/C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	729370295	SGRQFZJZSSDRLN-LULQDDRCSA-N	412.489	5.059	30	20	HKED	
Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)cc1	730461409	OEOLGGWLADSMLX-OAQYLSRUSA-N	421.566	5.125	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	730696185	REHLHRQXRPBKQX-IINYFYTJSA-N	407.297	5.797	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2sccc2C)cs1	733748601	DOWMTKBYVLLMSW-VMPITWQZSA-N	402.928	5.747	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1	734963572	JKMKLGMUFVYNIS-UWJYYQICSA-N	416.452	5.459	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1nc2cc(C(F)(F)F)ccc2s1	734965488	LIRJSDFVJZQOPP-SDDRHHMPSA-N	422.378	5.573	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(COC3CCCC3)cc2)c1	740464220	DPVCYPDDDNLONK-OAQYLSRUSA-N	407.514	5.148	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)c1	741933315	FEAIQNFNBRCFJW-JWQCQUIFSA-N	412.533	5.400	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2c(c1)COC2	742436531	LGJZGEJFMLSWCV-BQYQJAHWSA-N	401.409	5.755	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2cccc(OCC#N)c2)cc1	743102669	KWUJJFPGRSLRKK-KRWDZBQOSA-N	401.466	5.147	30	20	HKED	
N#CC1(c2ccccc2)CCC(=NNc2nc3cc(C(F)(F)F)ccc3s2)CC1	743444829	XAELQDSXCYIUBS-UHFFFAOYSA-N	414.456	6.119	30	20	HKED	
Cc1cc(C=Nn2c(S)nnc2[C@@H]2CCCCO2)c2c(C)ccc(C(C)C)cc1-2	743451433	DQENNJRIKCINKQ-FQEVSTJZSA-N	408.571	5.536	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1C(F)(F)F	744035176	JAXKWQYFTFCSIZ-FZMZJTMJSA-N	422.859	6.339	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cnc(C(C)(C)C)s3)n2)cc1	744062666	UTCKPWDYNQIFJV-OAGJVSPASA-N	423.563	5.462	30	20	HKED	
COc1cc(C(=O)/C=C\c2csc(-c3ccsc3)n2)ccc1SC(F)F	746345223	BAESSIGKXMRLBS-ARJAWSKDSA-N	409.504	6.091	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1C	747198436	WMFHRYYOYYJGRM-QGZVFWFLSA-N	410.568	5.038	30	20	HKED	
C#CC[C@@H](NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)c1ccccc1	757776357	BXYUDVZEZBLSIE-JOCHJYFZSA-N	412.493	5.525	30	20	HKED	
CC(C)(C)OC(=O)C1(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCCC1	764052974	NVBVUGJJXPMVRD-NRFANRHFSA-N	419.525	5.118	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(COC3CCOCC3)cc2)cc1	773091585	ITYUVSJWWATOKX-LJQANCHMSA-N	415.961	5.364	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1ccc(C#N)cc1	778027268	CUYSOAHRHXFQQU-QFIPXVFZSA-N	419.525	5.032	30	20	HKED	
Fc1ccc(CON=Cc2ccccc2OCc2ccccn2)c(Br)c1	780286505	BTJJQSLAJVBQQN-UHFFFAOYSA-N	415.262	5.113	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1cnc2ccccc2n1)c1ccccc1	792100400	NFAQILKZCNDOPL-WOHXKIKESA-N	405.457	5.055	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1cccc(C(=O)c2ccccc2)c1	797568919	XXRVNAFMEDQUJW-OXJNMPFZSA-N	416.546	5.652	30	20	HKED	
Cc1ccc(-c2cc(-c3nnc(SCCO[C@H](C)C#N)o3)c3ccccc3n2)cc1	801657138	XJGASDPXKAKDPQ-MRXNPFEDSA-N	416.506	5.281	30	20	HKED	
C[C@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1	801700047	FJQQZIIQFCIMNP-CPCISQLKSA-N	400.319	5.069	30	20	HKED	
C[C@H](c1ccccn1)N(C(=O)c1cc(C#N)ccc1Cl)c1ccc(N(C)C)cc1	808701732	GTEHVEIHRZOELA-MRXNPFEDSA-N	404.901	5.081	30	20	HKED	
Cn1cc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)c(C(F)F)n1	812241141	DLCLRKHUSYNOBT-DHZHZOJOSA-N	405.857	5.347	30	20	HKED	
CCOc1cc(C#N)ccc1OC(=O)c1sc2nc(C(F)(F)F)ccc2c1C	914603722	XIBRBQPXPKUPJI-UHFFFAOYSA-N	406.385	5.113	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)ccc2F)cc1	915086293	SFOQVEVWDSGFGR-LJQANCHMSA-N	409.258	5.496	30	20	HKED	
N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nc(-c2ccccc2)cs1	915102243	QHKGXOUMKXETCS-FQEVSTJZSA-N	400.503	5.138	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C3SCCS3)cc2)cc1	916948833	YFWPDWFBBNFHMT-YWZLYKJASA-N	424.591	5.640	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)cc1	917517478	GPTPBOYDXUBNHF-BENRWUELSA-N	402.425	5.294	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N(Cc2ccccn2)c2ccc(F)cc2)cc1OC	917790939	FEKUYGATAKWEAX-ZSOIEALJSA-N	418.468	5.041	30	20	HKED	
COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1	920111332	SMGXKFCDGKQAHB-SIKLNZKXSA-N	416.546	5.814	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1	920280715	KABQNTXEQFRQIO-UHFFFAOYSA-N	415.396	5.610	30	20	HKED	
CCc1ccc(C(=O)/C=C\c2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])s1	921265738	RHGKDYNOTYZQLG-XQRVVYSFSA-N	415.389	5.065	30	20	HKED	
C[C@H](NC(=O)Nc1cccc2c(O)nccc12)c1ccc(-c2cccc(C#N)c2)cc1	1466563894	OHZCUWRFYCEUHF-INIZCTEOSA-N	408.461	5.362	30	20	HKED	
C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCCC3)CCC2)cc1	1786366554	FURSRAKBIATWPB-LFIBNONCSA-N	424.585	5.240	30	20	HKED	
C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)CCC1	1786614826	HXPYGEFTPNKLKO-QHCPKHFHSA-N	406.501	5.025	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1F	56470521	RRZJTPPWQKEZKU-UHFFFAOYSA-N	403.413	5.009	30	20	HKED	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	57374612	XGZXFADZRPZKJS-UHFFFAOYSA-N	419.462	5.541	30	20	HKED	
C=CCN(C(=O)c1cc(C)no1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	61048886	CUBSQXVNARUATN-UHFFFAOYSA-N	401.491	5.606	30	20	HKED	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1	62881666	JCQWSWGNMCLMGG-KRWDZBQOSA-N	424.566	5.206	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(-c3ccccc3F)n2)cc1	63701623	ZIEHDGHHQVYOEV-UHFFFAOYSA-N	421.497	5.016	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1	209646758	POHTWXILGLLWKB-BENRWUELSA-N	407.470	5.284	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)cc1OC	210926083	PVSSUHGHLQQEGL-JBOCTPFWSA-N	407.510	5.036	30	20	HKED	
COc1ccc(-c2cnc3[nH]cc(Br)c3c2)cc1N=C(O)OC(C)(C)C	328578720	UFAXEYDWSBDYBE-UHFFFAOYSA-N	418.291	5.362	30	20	HKED	
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1nc(-c2ccccc2)cs1	431939286	RAYMMEOGEIJNMT-FXAWDEMLSA-N	404.539	5.605	30	20	HKED	
O=C(NC[C@@H]1CCC(F)(F)C1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	432489260	OORBRQMOZPNQJQ-BXKDBHETSA-N	404.301	5.043	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(n2ccc(C)n2)CC1)c1ccc(C(F)(F)F)cc1	434290257	XWIUNBVHJPFGCI-FQEVSTJZSA-N	420.479	5.264	30	20	HKED	
C[C@H](N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1	437028886	COHGXANWLYAEQT-GTNSWQLSSA-N	404.329	6.060	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc2ccccc2[nH]1	438654058	ZDDWPKPUCAJHDI-AWEZNQCLSA-N	415.428	5.249	30	20	HKED	
N#Cc1cnc2c(F)cc(F)cc2c1NCc1cccc(COCC(F)(F)F)c1	441939780	BLPJVLZHHCMTGO-UHFFFAOYSA-N	407.342	5.076	30	20	HKED	
C[C@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccccc3C#N)c(F)c2)C1=O	446157727	MKCUKICFFQWWQT-MRXNPFEDSA-N	415.424	5.019	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccccc2C(F)(F)F)nnc1-c1ccoc1C	473796123	BFJQAQGYJQQYMN-CYBMUJFWSA-N	421.444	5.415	30	20	HKED	
C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(-c2cccnc2)cc1	474757018	XCJBUFNXGNQCQY-GOSISDBHSA-N	423.472	5.283	30	20	HKED	
C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@@H](C)c1nc2ccccc2s1	475089362	GUWPTJCRKIDBHI-FDCMFXBMSA-N	406.555	5.035	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1OCC(F)F	475410764	KPYLIAVYRAHLAC-UHFFFAOYSA-N	410.445	5.606	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	475568161	MZUASWXVOOVIKH-CWAQXLGLSA-N	417.597	5.856	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H]1c1ccccc1	480608560	JZSFUBBUIPIXNM-BXKMTCNYSA-N	415.468	5.501	30	20	HKED	
C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	481319451	FCEGOZUCGMQRKS-AVRDEDQJSA-N	408.567	5.176	30	20	HKED	
C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481627458	PFVARAKXEMUBIR-HNNXBMFYSA-N	409.486	5.091	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	482924989	DYIUAYGMZKXKNB-QGZVFWFLSA-N	401.466	5.151	30	20	HKED	
C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	483022756	PTPIVTGAHCYSEG-YWZLYKJASA-N	415.459	6.122	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nccc2ccccc12	483212285	JKPBFFUHKGVRPK-QGZVFWFLSA-N	424.357	5.068	30	20	HKED	
COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N[C@H](C)CC#N)cc1	484799334	QETKOHDXZCAZQV-KAKMCVKYSA-N	411.505	5.152	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1ncc(-c2ccccc2)o1	489690539	LXURTECATLZGDM-KRWDZBQOSA-N	418.522	5.551	30	20	HKED	
N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3sccc3-c3ccccc3)c2)c1	490395546	AHFILMUNIIYBKX-UHFFFAOYSA-N	423.497	5.791	30	20	HKED	
CN(C)c1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	491570329	OMRPFRHTTKMWBV-JOCHJYFZSA-N	418.928	5.383	30	20	HKED	
N#Cc1cccc([C@H]2CN(C(=O)c3csc(-c4ccc(Cl)cc4)c3)CCO2)c1	492946156	QMYASGPWEFWYIQ-HXUWFJFHSA-N	408.910	5.154	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12	495245642	CXTONWTYSDVLQU-CYBMUJFWSA-N	411.914	5.278	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1OCC(F)F	497532376	XLPLCBCXNOLTEJ-UHFFFAOYSA-N	407.848	5.298	30	20	HKED	
C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc2ccccc2n1C(F)F	497818424	UPLZFDOXJRMSPF-OAHLLOKOSA-N	416.431	5.461	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc4oc(C(F)(F)F)nc34)cc2)nc1	499506599	FZICXYAKVKWCQH-UHFFFAOYSA-N	424.338	5.158	30	20	HKED	
Cc1cnn(-c2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)c1	501420867	JDIFNUMCCNCFOA-UHFFFAOYSA-N	422.488	5.078	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1	503879896	ZCQXQPUEOJQACJ-UHFFFAOYSA-N	421.525	5.511	30	20	HKED	
Cc1cc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)nn1CCC#N	504265004	BKENBDVXYYPYDS-UHFFFAOYSA-N	410.930	5.303	30	20	HKED	
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccccc2OCc2cscn2)cc1	505815428	MSPFWOGFIQXZPQ-FQEVSTJZSA-N	405.523	5.014	30	20	HKED	
N#CC1(c2ccccc2)CCC(NCc2ccc(COCC(F)(F)F)cc2)CC1	507653470	LXCWBRUSDWZECI-UHFFFAOYSA-N	402.460	5.259	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)cc1	507718814	PAVCORLYRPVNDR-OALUTQOASA-N	404.407	5.205	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1	511971451	HFPHQQVXPYLXDU-ZWKOTPCHSA-N	404.407	5.518	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)Cc1csc(-c2cccc(OC)c2OC)n1	515781163	GWUUGLZEKVAZBR-UHFFFAOYSA-N	410.539	5.024	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccoc2)n1	517461225	FRSLZOKBWCZLQM-UHFFFAOYSA-N	423.441	5.680	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1	518151909	ZURARETVJFKSPB-INIZCTEOSA-N	402.523	5.254	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(OC(F)F)cc1	519671015	JCGCUUMCPFCQIO-CQSZACIVSA-N	424.407	5.230	30	20	HKED	
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	525284704	BDHKTUWWGDUEAU-RPWUZVMVSA-N	411.505	5.544	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ncsc3C(F)(F)F)cc2F)c1	527159401	XEKVOYUZZHKAPV-UHFFFAOYSA-N	421.375	5.004	30	20	HKED	
COc1ccc(CNc2ccc(CN3CCC[C@H](C)C3)cc2)cc1OCCCC#N	532890567	KXYZZSRRRGQFKB-FQEVSTJZSA-N	407.558	5.222	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1Cl	535600917	BCQNPUBZTLXBDD-UHFFFAOYSA-N	423.944	5.094	30	20	HKED	
C=C[C@@H](CC(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C)c1ccccc1	536107327	IRVJJRRYAOMOPZ-KRWDZBQOSA-N	418.459	5.241	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)NCc2nc(C3CC3)cs2)cc1Cl	536436672	UMTZWJWNZPPDBB-UHFFFAOYSA-N	409.898	5.268	30	20	HKED	
Cc1c(Cl)cccc1Nc1nnc(SCCCC2(C#N)CCOCC2)s1	539670794	SFWQDEBRSZLYEZ-UHFFFAOYSA-N	408.980	5.436	30	20	HKED	
COCC1(C)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	540225193	IIIOGVFEJGVOFM-FQEVSTJZSA-N	411.933	5.276	30	20	HKED	
Cc1nnc(-c2cccc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2)o1	542000912	XGXZZBTXUKBOQB-MRXNPFEDSA-N	408.461	5.075	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	542030404	YUKMYHREOGLKCM-UHFFFAOYSA-N	418.844	5.005	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3OC(F)F)cc2)nc1	547235347	ZWUXUYWUIQMCEJ-UHFFFAOYSA-N	415.783	5.253	30	20	HKED	
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC[C@@H](C#N)CCC#N	550170869	FPAUPAKJMCDGHP-OAHLLOKOSA-N	401.388	5.088	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)cc1Cl	551350214	VIUFYSDNVDRLPB-UHFFFAOYSA-N	424.928	5.283	30	20	HKED	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCC(=O)c3ccccc32)c1	551587183	ZWLHFGUZBTWWPQ-QHCPKHFHSA-N	414.892	5.505	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1Cl	554246595	UPYMRGQFYHQTGL-PXNSSMCTSA-N	419.916	5.130	30	20	HKED	
C=CCN(C(=O)Cc1cccc(OC(F)F)c1)c1nc(-c2ccccc2)cs1	561071492	WKYXHQFBANAJNS-UHFFFAOYSA-N	400.450	5.173	30	20	HKED	
COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc(OC)c1C	562162343	DOIWXTCYIXGJAZ-UHFFFAOYSA-N	404.491	5.287	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1	567159614	JWEIZMGTEMLGBQ-UHFFFAOYSA-N	403.891	5.164	30	20	HKED	
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1noc(-c2ccc(Cl)cc2)n1	578802145	OGKXPKSZKLNOQM-LIEIEOFGSA-N	406.917	5.445	30	20	HKED	
N#Cc1cccc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)n1	589332854	GVQXCBXFHDVVEC-UHFFFAOYSA-N	411.383	5.037	30	20	HKED	
O=C(Cc1ccccc1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	591129310	HJJHHNLFIQLSFM-GHMZBOCLSA-N	421.303	5.274	30	20	HKED	
Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)c1ccco1	592975513	IFVPENXUKLWWJV-HNNXBMFYSA-N	419.437	5.079	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(OCc2cscn2)c1	603968681	IIBANBXCOGXNDH-UHFFFAOYSA-N	417.515	5.575	30	20	HKED	
CN(Cc1csc2ccccc12)C(=O)c1occc1COc1cccc(C#N)c1	608811909	VMRVABNGVFUWMR-UHFFFAOYSA-N	402.475	5.217	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)cs1	609055131	ZWLXNFAKMZPWDL-UHFFFAOYSA-N	415.474	5.415	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)CC2CCCCC2)cc1Cl	609163989	DVRFGWKUTJLSEK-NRFANRHFSA-N	423.944	5.021	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)sc2c1	609377207	RJMWWVONQWKDGX-CYBMUJFWSA-N	400.956	6.367	30	20	HKED	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2c(C)noc2n1	609378313	BRDTZKUTFOMHPO-UHFFFAOYSA-N	420.416	5.117	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)CCCc2ccc(Br)s2)cc1	609413504	JDAPVOUSMLFYBG-UHFFFAOYSA-N	421.360	5.179	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OC2CCCC2)nc1	609437049	MIQMHADBGZVVQJ-INIZCTEOSA-N	410.543	5.119	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(Cl)c1	609504023	LVZIFCXOROGVCT-UHFFFAOYSA-N	419.868	5.409	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccccc1Cl	609595854	FSDCUTSWCJVOHP-AWEZNQCLSA-N	423.097	5.232	30	20	HKED	
Cc1nc2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2o1	609723157	ZTYRQIBRDKFROB-UHFFFAOYSA-N	403.825	5.706	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc2ccccc21	610295352	DLUZRXIFNOCXQE-UHFFFAOYSA-N	402.841	5.258	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)N3CCC[C@@](C)(C#N)C3)cc2Cl)n1	612305816	VVEFRVOFYXBYLR-SFHVURJKSA-N	406.964	5.414	30	20	HKED	
N#C[C@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1ccc2ccccc2n1	678572430	XAWLEQZBNRAAHK-INIZCTEOSA-N	421.378	5.214	30	20	HKED	
CCc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)cc1	725856398	QUAMMNPUIDVHLE-UHFFFAOYSA-N	418.504	5.242	30	20	HKED	
C[C@@]1(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCCc2ccccc21	726322193	HEUDRCRXFLJGMQ-YCRPNKLZSA-N	414.452	5.786	30	20	HKED	
CC(CCc1cccc(C(F)(F)F)c1)=NNc1ccc(S(=O)(=O)C(F)F)cc1	726424672	CTSIRZFLIVHMRP-UHFFFAOYSA-N	420.403	5.122	30	20	HKED	
COc1ccccc1Oc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1	726450401	GBQDQVCATHHJEM-UHFFFAOYSA-N	409.898	5.821	30	20	HKED	
C#Cc1cccc(N2C(=O)/C(=C\c3csc(-c4cccs4)n3)SC2=S)c1	728610824	NYESTWRHRJLWHW-MHWRWJLKSA-N	410.570	5.259	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(Br)cs1)c1nc(-c2ccccc2)cs1	730685617	APWLMSDLSLSMCI-OAHLLOKOSA-N	417.353	5.443	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc(Cl)ccc1Cl	730995339	PTMPUBSIQBSEDA-UHFFFAOYSA-N	420.243	5.665	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F	731288842	YPVNZVRZEGCIFT-IPMKNSEASA-N	401.416	5.565	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)c1ccc(F)cc1F	732377729	SUVBFNXQNLDKMV-OAHLLOKOSA-N	421.399	5.251	30	20	HKED	
CC(C)(Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	733052539	LRAIOQNRPFGXHO-AWEZNQCLSA-N	403.816	5.119	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2C)c1	733845741	XCKRCRITGTXVAN-FQEVSTJZSA-N	415.493	5.790	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)c1	734160046	KWUAYYWZEWBIKU-SANMLTNESA-N	414.505	5.307	30	20	HKED	
COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(OCC(F)(F)F)c(OC)c3)c2c1	734306132	AOVXCGASMHBXPZ-CLTKARDFSA-N	405.372	5.022	30	20	HKED	
C=CC[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccncc1	735055513	FJULEJSWKBJJJA-OAQYLSRUSA-N	403.869	5.446	30	20	HKED	
CCOC(=O)Cc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1	738897903	WTKFCEWWBBXEBM-HSZRJFAPSA-N	413.477	5.092	30	20	HKED	
COc1ccc([C@@H](C)CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1	743093379	SYIVNZYXINNBRD-DFBJGRDBSA-N	413.521	5.666	30	20	HKED	
C(=NNc1cccc2ccccc12)c1sc(N2CCOCC2)nc1-c1ccccc1	747060401	PYJFKIJNXMBAGK-UHFFFAOYSA-N	414.534	5.246	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCC(N2CCCCC2)CC1	750859587	SQNZTOGYNGOQLP-UHFFFAOYSA-N	419.594	5.236	30	20	HKED	
CC(C)(C)OC1CC(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)C1	753968877	LQNVJBWVIYCGCG-JXQTWKCFSA-N	404.482	5.248	30	20	HKED	
COc1cc(C=NOc2ccccc2C(F)(F)F)ccc1OC(=O)c1cccs1	754712984	YKADSTUDMBULJN-UHFFFAOYSA-N	421.396	5.408	30	20	HKED	
C#CCN(Cc1ccc(F)cc1)Cc1csc(N(C(C)=O)c2ccccc2CC)n1	756499678	BBWABXFETALZML-UHFFFAOYSA-N	421.541	5.165	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)Cc1cccc(OCC#N)c1	760481311	QTDMONFZIBRJGG-OAHLLOKOSA-N	410.470	5.007	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)N1CC=C(c2cccc3ccccc23)CC1	761664835	ZJGGZTJFDDLKMA-UHFFFAOYSA-N	401.441	5.202	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(Oc4ccccc4Cl)cc3)CCO2)c1	762317126	MFVRKIWMFPJBLQ-QHCPKHFHSA-N	418.880	5.218	30	20	HKED	
C=CC[C@@H](NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccncc1	769509542	JWGUZGXBBBVQLP-WOJBJXKFSA-N	403.448	5.654	30	20	HKED	
O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771098698	OOMCRUJUZWURAB-GIFJBRJJSA-N	424.497	5.188	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Br)c(F)c2)ccc1OC	772987400	UCNQQFZLWGWZGC-CJNGLKHVSA-N	421.310	5.129	30	20	HKED	
C[C@@H](NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(OCC#N)cc1	776153283	BBJBFOKFLBSMQV-NTKDMRAZSA-N	417.578	5.101	30	20	HKED	
CCOc1cc(Br)c(N[C@@H](C)c2ccc(OCC#N)cc2)cc1OCC	777708786	SEJPTHCKSGTTID-AWEZNQCLSA-N	419.319	5.322	30	20	HKED	
CCO[C@@H](C)c1nc(COC(=O)c2ccccc2Oc2ccccc2C#N)cs1	778181953	VQTVZGFZXBSXRO-HNNXBMFYSA-N	408.479	5.262	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[C@@](C)(O)c1ccccc1	779409855	BVWCGPAQSIQHRO-RUZDIDTESA-N	415.493	5.078	30	20	HKED	
N#C[C@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1cccc(Cl)c1Cl	779628161	RRAKIBMZJNNLTB-NSHDSACASA-N	408.594	5.055	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1	780165528	PIQVAELXQZJWHE-QGZVFWFLSA-N	420.896	5.391	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1	780671783	UZTHABPUXPDRSS-KSFYIVLOSA-N	405.885	5.542	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(COCc2ccccc2)c1	780675836	HKRWCNGTDWBXTK-IBGZPJMESA-N	415.493	5.016	30	20	HKED	
CCN1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1	782300545	GRJBFJNXLXJOGV-KGRJIBJCSA-N	405.501	5.155	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cnn(C(C)C)c2C)cs1	787186109	FKJSTVWUDBZWKA-FLIBITNWSA-N	408.527	5.118	30	20	HKED	
N#CCOc1cccc(NC(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)c1	787401891	BDBBFHWPLHNQFA-QHCPKHFHSA-N	417.896	5.574	30	20	HKED	
C#CCC1(C(=O)N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)CCCCC1	788199782	ZKAAGBPUINXPTG-UHFFFAOYSA-N	420.519	5.102	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C	789459294	PQBJUVLKLXDJLL-GOSISDBHSA-N	401.551	5.060	30	20	HKED	
N#C[C@@H](C(=O)Cc1cccc(C(F)F)c1)c1nc(-c2c(F)cccc2F)cs1	790769587	VRCITGUCVKOBHJ-ZDUSSCGKSA-N	404.388	5.445	30	20	HKED	
N#CC1(CCCN[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)CCOCC1	796467985	AXZGEBMTAWALCW-KRWDZBQOSA-N	414.764	5.269	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)s1	797569554	SCCCUOHTBBIXIE-HNNXBMFYSA-N	402.610	5.799	30	20	HKED	
N#CC1CCC(CNC(=O)c2sc3cc(Br)ccc3c2Cl)CC1	799388804	WZIRRKLOPUWQQP-UHFFFAOYSA-N	411.752	5.377	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1Cl	808260231	NGOUTLMGWLHLGR-KRWDZBQOSA-N	415.802	5.662	30	20	HKED	
CC(C)(CCC#N)CN[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	810176571	XCEGCODCMPCVDQ-GOSISDBHSA-N	401.551	5.555	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ccnc(Cl)c3Cl)cc2F)c1	811488097	JOGCXPGMVAMEAY-UHFFFAOYSA-N	402.256	5.590	30	20	HKED	
CC(=NNc1cncc(Br)c1)c1sc(-c2ccc(F)cc2)nc1C	814887452	RDJBSBHORQFBRQ-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CC(c2cccc(C(F)(F)F)c2)C1	857527968	HEXDINRNDCFLFK-INIZCTEOSA-N	405.313	5.361	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1c(OC(F)F)ccc2ccccc12	916341691	KDKALLVKSXRTJK-UHFFFAOYSA-N	410.449	5.179	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1cccc2ccccc12	916915649	GRFBAADXUHYPFT-QFIPXVFZSA-N	408.457	5.380	30	20	HKED	
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cnc(-c4ccccc4)nc3)c12	917142864	BEXGVGAMWIDDLX-BUHFOSPRSA-N	419.488	5.137	30	20	HKED	
N#C[C@H](C(=O)CCc1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2)cs1	920111392	VPAPVVHGWPHYIL-MRXNPFEDSA-N	402.853	5.551	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1828828475	KQNFAVCMXDXWCS-WXFUMESZSA-N	412.618	5.121	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(C)cc2)cc1	10173106	OYWQKZFXFQWBJY-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2cccc(C)c2)cc1	14872212	NUOJIUUZHMKLGI-UHFFFAOYSA-O	403.571	5.458	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1	20067864	YZHXWBXQGMRMNB-CQSZACIVSA-N	423.929	5.688	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)o1	50487713	OMNRKAQFFLHUKB-UHFFFAOYSA-N	411.417	5.170	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCCCC2)cc1	60566637	UKTDSRKLHSYGEI-UHFFFAOYSA-N	418.585	5.056	30	20	HKED	
N#Cc1ccccc1N1CCCN(C(=O)c2cc3sc4ccccc4c3s2)CC1	60664885	MVNZOIBGPGDTQT-UHFFFAOYSA-N	417.559	5.340	30	20	HKED	
Cc1cccc(COc2ccc([C@@H](C)NCc3ccc(O[C@@H](C)C#N)cc3)cc2)c1	237503581	JARJHISIEGMUTM-LEWJYISDSA-N	400.522	5.716	30	20	HKED	
N#CCCCOc1cccc(CNCc2cc(Cl)cc(Cl)c2OC(F)F)c1	237792562	SCAFOFVBQFSEDM-UHFFFAOYSA-N	415.267	5.567	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NCCCNc2ccccc2)cc1	303384868	OTKVYILSGGAAMA-UHFFFAOYSA-N	401.535	5.083	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(F)cc(F)c2)cc1Cl	410174806	XBPBSRQSOLZJDC-FQEVSTJZSA-N	411.839	5.595	30	20	HKED	
CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)s1	430617671	ODRFXWYNTSVLTH-SFHVURJKSA-N	409.555	5.449	30	20	HKED	
N#CCSc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	432218850	OGGWELVZYDMGAU-KRWDZBQOSA-N	409.923	5.569	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)cc(Br)c1	437352925	BBGUQRSWWNEDGK-NSHDSACASA-N	409.736	5.749	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1	438069094	ZTRCRPGQYOQNPB-LEDOBFOHSA-N	423.582	5.536	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	438652409	OYDQIJHNIUAYBE-LBPRGKRZSA-N	416.428	5.583	30	20	HKED	
CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3cccc(C#N)c3)cc2)C1=O	445974515	MQARZCGFHPSPRQ-QHCPKHFHSA-N	411.461	5.270	30	20	HKED	
N#CCCN(C(=O)c1csc(Cc2ccccc2)n1)C12CC3CC(CC(C3)C1)C2	460455621	FQHBJQSINSSIDK-UHFFFAOYSA-N	405.567	5.059	30	20	HKED	
C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1	460946209	NPEMZINTUHEVPP-LJQANCHMSA-N	404.562	5.046	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Oc1ccc(F)cc1	463949015	QHVICDWVLLMNTN-INIZCTEOSA-N	406.482	5.046	30	20	HKED	
N#Cc1cc(NC(=O)c2cc(C3CC3)[nH]n2)ccc1Oc1ccc(C(F)(F)F)cc1	464299928	WHMHTQXJXFPHRT-UHFFFAOYSA-N	412.371	5.222	30	20	HKED	
N#C[C@H](C(=O)c1cc2ccccc2cc1OC(F)F)c1cc(C(F)(F)F)ccn1	464411232	YLUPZEVDSBJUSY-HNNXBMFYSA-N	406.310	5.345	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cc1	466123620	XLTRTEPOZSRKCI-UHFFFAOYSA-N	421.447	5.880	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)Oc1ccccc1F	466167185	OENHZGNEPFBTKX-QGZVFWFLSA-N	419.456	5.387	30	20	HKED	
Cc1cc(C(F)(F)F)ccc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N	469124858	UGOOCDOVWBGICZ-UHFFFAOYSA-N	401.432	5.209	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(c3c(F)cccc3F)CC2)c2ccccc21	469819180	VODDFFQVUYYURF-UHFFFAOYSA-N	407.464	5.243	30	20	HKED	
CCCc1cccc(C(C)C)c1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	472676663	WXJSMIILJJXWRZ-UHFFFAOYSA-N	405.542	5.428	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1cnc2ccccc2c1	475358747	AHEFXKXHCYZQAW-UHFFFAOYSA-N	409.464	5.330	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1nccn1CCCc1ccccc1	475557539	CJSJONWGUGGODE-UHFFFAOYSA-N	416.569	5.690	30	20	HKED	
COCC1(C#N)CCN(C(=O)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)CC1	476926293	CEJZGHJLFIHINT-HSZRJFAPSA-N	411.590	5.393	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2ccccc2c1C	482522186	HNKOTXXDWFANNJ-UHFFFAOYSA-N	407.473	5.555	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	483639698	VKKYPDISLAENCO-UHFFFAOYSA-N	405.763	5.446	30	20	HKED	
CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@H](CCCC#N)c3ccccc3)c2)no1	487530110	BTRANOVCXMJZPO-OAQYLSRUSA-N	416.525	5.490	30	20	HKED	
N#CCCC[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1	487616252	JADWGIQOHZLEEJ-DEOSSOPVSA-N	409.489	5.302	30	20	HKED	
C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1nc2c(s1)CCCC2	494057678	VUDWFGJFBNBCJY-HZPDHXFCSA-N	417.372	5.107	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)SCc1csc(-c2ccc(OCC)cc2)n1	497849353	UXHJPHHKHBXAKP-INIZCTEOSA-N	404.601	5.255	30	20	HKED	
C=CCC[C@H](NC(=O)NCc1ncc(C(C)(C)C)o1)c1ccc(C(F)(F)F)cc1	498276443	OORSMYMSSRTJRZ-INIZCTEOSA-N	409.452	5.498	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CCC)c1ccc(F)cc1F	499751024	PKUZVLPWDLLXBD-NRFANRHFSA-N	404.505	5.371	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)C3CC3)c2)cc1	504166669	UMPYNJAMJJQYBC-RUZDIDTESA-N	411.505	5.604	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl	505023869	PLHRRSUMLOCULL-UHFFFAOYSA-N	406.313	5.214	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1	505685729	FYGHTDXEBGPMPV-MSOLQXFVSA-N	418.415	5.666	30	20	HKED	
CCc1c(NC(=O)c2sc3ccc(C#N)cc3c2C)cnn1-c1ccccc1C	506639482	KBWFYNYANRLDMY-UHFFFAOYSA-N	400.507	5.390	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCO[C@H]1CCCc2ccccc21	506838879	MUVZVMKCKFBCRQ-AVRDEDQJSA-N	423.582	5.544	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1	508264758	AXRVQKPWMWWJEK-UHFFFAOYSA-N	413.477	5.556	30	20	HKED	
O=C(NCc1ccc(C(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	508744260	AVTUBEVITRHASV-HNNXBMFYSA-N	408.317	5.337	30	20	HKED	
C=CCC[C@H](NC(=O)c1coc(C2CCOCC2)n1)c1ccc(C(F)(F)F)cc1	509186906	OLOKAZKYYKLDPM-KRWDZBQOSA-N	408.420	5.025	30	20	HKED	
CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H](C)c1ccc(C#N)cc1	509577452	ATNQBDILJKQESK-INIZCTEOSA-N	422.916	5.194	30	20	HKED	
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)NCc1ccccc1Cl	510204788	BAHDQLJCJRWYSW-OAHLLOKOSA-N	407.926	5.071	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510876756	HZTDYFIWJUMEIL-OAHLLOKOSA-N	423.925	6.174	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(Oc3ccc(C#N)cc3)c1)CCC2	518921325	RWPRZMVWICBBAU-NRFANRHFSA-N	403.507	5.265	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)c1cccc(Cl)c1Cl	519486534	NMXREVMNQNMARF-YCPHGPKFSA-N	424.125	5.240	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccco2)on1	520817729	JJGZTZHQPHXCBA-AWEZNQCLSA-N	413.524	5.058	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1	521261538	TUZBZZCNIAAYAY-LBPRGKRZSA-N	419.250	5.341	30	20	HKED	
CC(C)[C@H](Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	523510546	NLFGHPUTWQCNPP-IBGZPJMESA-N	422.579	5.155	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3CCC(F)(F)F)n2)cc1	533956468	KBMTYPHACBBZGP-SFHVURJKSA-N	414.452	6.104	30	20	HKED	
N#C[C@H](C(=O)c1scnc1C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	534105339	FUHQFIITAJQJHY-GFCCVEGCSA-N	420.346	5.941	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	534750538	VKBGRQMVJQRLPN-UHFFFAOYSA-N	409.445	5.761	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2C)c1ccc(C(F)(F)F)cc1	536231443	GDRZGGSZFWULTD-IBGZPJMESA-N	416.443	5.052	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1Cl	536329539	OJYCZADNOKJICG-MJGOQNOKSA-N	423.925	5.556	30	20	HKED	
CC[C@@H](C)n1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1C	540855352	QCJNZIPBUVINJM-OAHLLOKOSA-N	404.470	5.087	30	20	HKED	
C=CCN(C(=O)N(c1ccccc1)c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1	541117835	QFRXHUFVSYDEIP-FQEVSTJZSA-N	424.508	5.170	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C	543063891	GDQQDDKOBAACJY-GFCCVEGCSA-N	400.454	5.015	30	20	HKED	
COc1ccc(-c2noc([C@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)cc1	543862084	OMMJVJYOMSPTAK-MSOLQXFVSA-N	424.504	5.696	30	20	HKED	
N#CCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)c1	547360814	QGAHVVKDKNVCFE-UHFFFAOYSA-N	424.869	5.113	30	20	HKED	
Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1cccc(OCCCC#N)c1	551452504	RSIOBKHSCVKPOK-IBGZPJMESA-N	405.542	5.162	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c1	558299630	PKBXDLZAFZKMQB-IBGZPJMESA-N	416.403	5.276	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1	558755936	UVMSWDGPCCPTLL-INIZCTEOSA-N	402.519	5.868	30	20	HKED	
COCCC[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1	568665881	DNMZFUBSESJOPV-SFHVURJKSA-N	413.949	5.473	30	20	HKED	
N#CC1(CCCN[C@@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)CCOCC1	577069271	FFRNIISCPTUDDP-OAQYLSRUSA-N	408.508	6.017	30	20	HKED	
C=C[C@@](C)(CCOC)c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1	578174160	LCHMHVQAIZZKAF-QHCPKHFHSA-N	418.522	5.402	30	20	HKED	
O=C(NCc1ccc(F)c(Cl)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	586520126	LFEQHEIKICVIAO-UWVGGRQHSA-N	420.756	5.188	30	20	HKED	
N#Cc1c(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2cc(Cl)ccn12	587165229	YPMAIESHVIBDIX-JZYVYDRUSA-N	410.749	5.181	30	20	HKED	
N#CCCCn1cc(-c2nc(Cc3coc(-c4cccs4)n3)no2)c2ccccc21	589085270	HNCTZDSKMQELOW-UHFFFAOYSA-N	415.478	5.302	30	20	HKED	
COc1ccc(OC)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1	604027089	DDHXSKGXSWNKDC-UHFFFAOYSA-N	408.841	5.273	30	20	HKED	
CCN(CC)c1ccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2CC)cc1	604090435	KTNFIXRCGIBXLC-NRFANRHFSA-N	405.571	5.038	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1ccc2ccccc2n1	608552852	VLVCOROLBYZLNK-SFHVURJKSA-N	402.375	5.809	30	20	HKED	
N#CCn1c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc2ccccc21	609165237	QXIIAYQCPBQNDO-UHFFFAOYSA-N	406.898	5.118	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc2ccccc2c1	609384715	LBCMIBXSAJQHNI-QZTJIDSGSA-N	403.551	5.381	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1	609435135	RQDXREMKFRQCCP-HNNXBMFYSA-N	424.501	5.239	30	20	HKED	
CCCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](CC)c1ccccc1	609438573	PRUAWMNLCJASAI-RXVVDRJESA-N	423.582	5.409	30	20	HKED	
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)CCC2	609553618	DJFSHVAZJRWVIQ-LJQANCHMSA-N	419.510	5.052	30	20	HKED	
Cc1c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n[nH]c1C(F)(F)F	609730766	TUQWQCHNPCRPAI-UHFFFAOYSA-N	420.778	5.307	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	609792853	MUABCCOKZPHMLR-UHFFFAOYSA-N	419.312	5.402	30	20	HKED	
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(Oc3nccs3)c2)cc1	609907023	ILGZAMPZZJNSBJ-UHFFFAOYSA-N	417.412	5.012	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccs1	610016364	VOVVFKUXOGVQPF-QGZVFWFLSA-N	412.902	5.733	30	20	HKED	
CN1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2cc(F)ccc21	610119069	VTQDBVZJZIBATF-UHFFFAOYSA-N	415.468	5.171	30	20	HKED	
N#C[C@H](NC(=O)c1cccnc1Sc1ccccc1)c1cccc(C(F)(F)F)c1	611252352	KHHWOBNKVJCVED-SFHVURJKSA-N	413.424	5.246	30	20	HKED	
N#Cc1cc(CN[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)ccn1	611407188	LVRCLJSIJAJZOV-NRFANRHFSA-N	415.390	5.021	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)C1	612306479	QTMQODAFMNLEEY-IBGZPJMESA-N	404.392	5.050	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1	643612795	WIOYIFBTSACFNR-UHFFFAOYSA-N	422.941	5.023	30	20	HKED	
C[C@H](c1nnc(-c2ccccc2F)s1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	669930613	QTEPYHHQMCCGMH-MIMYLULJSA-N	413.362	5.078	30	20	HKED	
CSc1cccc(F)c1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	684892129	WCRJWRBVHJSTHT-IUCAKERBSA-N	403.363	5.187	30	20	HKED	
CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(OC)cc2)n(C2CCCCC2)c1=S	726961698	NWBGQVGLTGNPCG-KRWDZBQOSA-N	413.591	5.034	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	728625397	ABZXKSBKHRRLQQ-UHFFFAOYSA-N	407.253	5.485	30	20	HKED	
C[C@@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)c2cc(C(F)(F)F)ccc2S1	731973197	PVKDOYLGKJHEDM-CQSZACIVSA-N	420.456	5.068	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccnc3SC(F)(F)F)n2)cc1	733679844	QGEIUJATMGOIQN-AWEZNQCLSA-N	419.453	5.616	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=S)N[C@H](C)c2ccc(Cl)cc2Cl)c1	733755582	VTGPFSJTQDKEQN-CJNGLKHVSA-N	422.381	5.400	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1	733788051	GGCIFGHPDGJJHH-IBGZPJMESA-N	401.510	5.048	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1	735100329	KKYVDZTXAOXSAG-UNMCSNQZSA-N	419.550	5.212	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)CCCCc3ccc(Br)cc3)[nH]c12	735788238	BZPYZIGGALCWTI-KRWDZBQOSA-N	410.315	5.223	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)OC(=O)Cc3ccc(OCC#N)cc3)s2)cc1	739304533	UDYYMWOAWLGTTL-QGZVFWFLSA-N	406.507	5.176	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	741063527	MTMQUWWKKQGZGM-UHFFFAOYSA-N	410.477	5.048	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccnc4ccccc34)n2)cc1	741112939	ISMLTRLCTKZSFA-ZBWUASRJSA-N	411.486	5.257	30	20	HKED	
Cc1cc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)ccc1-n1cncn1	742433807	AHFCHWBPEGSDBL-NTMALXAHSA-N	404.470	5.043	30	20	HKED	
CC(=NNc1ncnc2sccc12)c1cnn(-c2ccc(Cl)cc2Cl)c1C	743429403	NBMABEDVNIAPGW-UHFFFAOYSA-N	417.325	5.328	30	20	HKED	
Cc1ccc(-c2cnc(COC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)o2)cc1	745002234	KMOHXPRYWUXMQR-UHFFFAOYSA-N	411.417	5.066	30	20	HKED	
COc1cccc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c1OC(F)F	747122632	RVAPNYQRFMSGAX-KTKRTIGZSA-N	414.360	5.151	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1	747197245	CRHVAAPQNQWHIG-OAHLLOKOSA-N	416.344	5.238	30	20	HKED	
CCc1ccc(C(C)(C)C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	750561437	FRFLUSGJIFPIEW-KRWDZBQOSA-N	424.566	5.103	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccccn3)s2)CCOc2c(Br)cccc21	753145180	WPHKTOVXLPAIPZ-ZRDIBKRKSA-N	413.296	5.016	30	20	HKED	
C[C@@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	756244606	VAJGFSWNJRGMPJ-NHYWBVRUSA-N	404.919	5.693	30	20	HKED	
C=C[C@H](CC(=O)Nc1cc2c(cc1NC(=O)OC(C)(C)C)OCO2)c1ccccc1	759291952	XXPRGPIYJKNFML-OAHLLOKOSA-N	410.470	5.061	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Br)c(Cl)c1	763469298	DIBUAVQRWTUEPA-CYBMUJFWSA-N	415.674	5.098	30	20	HKED	
CC(C)[C@H](SCc1ccccc1)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl	764300779	CXGYKMAOADWBEW-SFHVURJKSA-N	403.891	5.016	30	20	HKED	
COc1cc2c(cc1NC(=O)[C@H](C#N)c1ccc3ccccc3n1)oc1ccccc12	767886851	MLUVEZSDWZYQSX-GOSISDBHSA-N	407.429	5.389	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	772982272	BKFVGZZTELQZGC-UZLBHIALSA-N	421.566	5.659	30	20	HKED	
COc1cc2c(cc1F)CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CC2	777567090	YAIXTDJAEDWTRO-QFIPXVFZSA-N	415.468	5.080	30	20	HKED	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSc1ccc(C#N)cc1	777822106	CKJXAZNTARUZBS-GOSISDBHSA-N	402.519	5.146	30	20	HKED	
N#CC1(COC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CCOCC1	780542110	QRNKXPRCVKJFAW-UHFFFAOYSA-N	406.265	5.263	30	20	HKED	
Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2O[C@H](C)C#N)s1	780676461	BDXCRQBFKLHARK-GOSISDBHSA-N	419.550	5.624	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Br)cc2F)ccc1OC	783252788	VNLPTUVAZNDALE-CZUORRHYSA-N	421.310	5.129	30	20	HKED	
CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)cc1	784252837	VSOXHUZHNKJYRP-UHFFFAOYSA-N	413.568	5.160	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)c1ccccc1	787042566	XEPDGGLRBUQVAL-BYZSIXFTSA-N	414.427	5.085	30	20	HKED	
COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(C#N)cc3Cl)cs2)cc1	788361208	WYKUNWGAOUMXEZ-OQFOIZHKSA-N	410.882	5.152	30	20	HKED	
CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCC(F)(F)CC1	788715052	QRCSASKPIYZZLQ-UHFFFAOYSA-N	407.486	5.101	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	789456387	PKRFLUBAIFOGKF-PKOBYXMFSA-N	415.578	5.306	30	20	HKED	
C=CC[C@H]1N(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CCCC1(C)C	790965127	FEQDVYVANJRJTG-HXUWFJFHSA-N	400.563	5.560	30	20	HKED	
CC(C)c1c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cnn1-c1ccc(Cl)cc1	792495089	KIXROLCBRNRBSX-OAHLLOKOSA-N	423.904	5.584	30	20	HKED	
N#CC[C@H](CC(=O)OCC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	795981634	DIAGZXKSKBFNRD-HXUWFJFHSA-N	414.461	5.048	30	20	HKED	
CC(F)(F)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	796748072	OQNHVQSECWRERY-HNNXBMFYSA-N	410.392	5.074	30	20	HKED	
CC(/C=C/C(=O)c1ccc(N2CCOC2=O)cc1)=C\c1ccccc1C(F)(F)F	799892646	JTTAHZDOLCMZKA-ZDQSRFTLSA-N	401.384	5.504	30	20	HKED	
C=C(C)COc1cc(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)ccc1OC	808448576	GKKBINUFIIMYSQ-IZZNHLLZSA-N	403.522	5.215	30	20	HKED	
N#CCCCC(=O)O[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	812617187	HRVGALZTRFDXCX-GOSISDBHSA-N	424.806	5.276	30	20	HKED	
C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1OCCc2sccc21	814305789	NTRISEDQXWXKRC-YTJPUZGESA-N	402.519	5.292	30	20	HKED	
CC(C)(C)OC(=O)N[C@@H](C=NNc1nc(-c2ccccc2)cs1)CC(F)(F)F	814768901	FHZMVLDBDQSGJA-CYBMUJFWSA-N	414.453	5.054	30	20	HKED	
C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	815010075	GVGIMEDXXACUDA-WZONZLPQSA-N	406.489	5.103	30	20	HKED	
O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2ccccc2cc1F	883978879	XFTWSWQQPCGGHV-STQMWFEESA-N	407.329	5.618	30	20	HKED	
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	915351699	BEJHIYLXOHROLO-HXOBKFHXSA-N	415.493	5.242	30	20	HKED	
CC(C)N1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C\c2ccc3ncccc3c2)C1	916135806	UXBCPRXYUQIAPK-URXAUHHJSA-N	419.528	5.543	30	20	HKED	
Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c(C)c1	916208334	ZLNQWQMRCZJVDW-NRFANRHFSA-N	421.566	5.043	30	20	HKED	
CCOc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	916974412	KTKWEARKNHPAIY-IBGZPJMESA-N	408.548	5.486	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1	917027132	XDURMGFVWWERMZ-SIFUEBAJSA-N	414.408	5.598	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3ccc(C)cc3C2=O)cs1	917564131	XIQXINQVTWOARO-VBKFSLOCSA-N	422.481	5.324	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3cccc(C(C)C)c3)n2)cc1	920138941	LYNZXOMTILBYOM-IIBYNOLFSA-N	420.534	5.586	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3scnc3CC)cc2)CCC1	1790196326	GBQCCBQGAOGPLV-UHFFFAOYSA-N	423.582	5.222	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1	1790650262	SUVQTVGWGAPBRS-UHFFFAOYSA-N	420.406	5.168	30	20	HKED	
C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccccn3)cc2)CCC1	1791939204	RJIZTBKUQAZAEH-LJQANCHMSA-N	417.553	5.088	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(F)CCCCC2)n[nH]1	1818877301	GDMXIBMOWDLSHF-GOSISDBHSA-N	418.557	5.067	30	20	HKED	
N#Cc1ccc(OCC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)cc1	14375316	GDSCZYUDESUNEP-UHFFFAOYSA-N	419.893	5.565	30	20	HKED	
Cc1cc(C)c(C(=O)/C(=C(\S)Nc2ccc(C)c(F)c2)[n+]2ccccc2)cc1C	14872495	JYAPGTDQXMAIDL-UHFFFAOYSA-O	407.534	5.398	30	20	HKED	
C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F	15336598	JIIORZUVUBPWDT-OAHLLOKOSA-N	410.395	5.650	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2ccc(Cl)cc2)n1	62887813	LQOJRGBOPDJSNW-UHFFFAOYSA-N	413.886	5.200	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1	63392059	BPJIXEXOXIWWPU-UHFFFAOYSA-N	413.525	5.147	30	20	HKED	
CCCCOc1ncccc1CNC(=O)c1ccccc1Sc1ccccc1C#N	63834588	GHFUFISVLDUYMF-UHFFFAOYSA-N	417.534	5.213	30	20	HKED	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	65680143	FAKUIMZLANBZLE-UHFFFAOYSA-N	409.445	5.495	30	20	HKED	
CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	106115086	MUFWTWFQXCSYBY-INIZCTEOSA-N	421.522	5.368	30	20	HKED	
C=CCn1c(SCc2nc(-c3cccs3)oc2C)nnc1-c1ccccc1F	218074667	PJGQOYIVZLKTOQ-UHFFFAOYSA-N	412.515	5.587	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1ccoc1C	302684842	GZRBCIYSERMJBO-UHFFFAOYSA-N	400.554	5.510	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1SC(C)C	303168508	BAAOQCNRJWIBJY-UHFFFAOYSA-N	403.935	5.001	30	20	HKED	
C[C@H](NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc(C#N)cc1	409786033	GYWTUNYQCDVKCC-OYHNWAKOSA-N	408.860	5.348	30	20	HKED	
Cc1c(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)sc2ccc(C#N)cc12	426427199	BWQBYAPIKVYSKK-UHFFFAOYSA-N	400.385	5.136	30	20	HKED	
N#C[C@H]1CC[C@H](Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)C1	430136679	TUQOHXLLSIBTSH-WFASDCNBSA-N	416.337	5.420	30	20	HKED	
N#CCCC[C@@H](NC(=O)NCc1ccccc1CN1CCCCCC1)c1ccccc1	431921440	BQEDTTGBHPUPSK-RUZDIDTESA-N	418.585	5.297	30	20	HKED	
COc1ccc(Br)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1	432827579	FNPFCDSXZDEQER-QGZVFWFLSA-N	402.292	5.014	30	20	HKED	
N#CCCC[C@H](NCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1	433033545	FIXMTKFPGCKVNP-UKILVPOCSA-N	407.533	5.198	30	20	HKED	
C=CCC[C@@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1	435274891	NAYJFZICLDZNFQ-HXUWFJFHSA-N	422.550	5.194	30	20	HKED	
C=CCC[C@H](NC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1)c1ccccc1	435673788	WKUQWRQJWIVNCG-QFIPXVFZSA-N	417.509	5.498	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1	436365466	PIXNAVJQJSJTLH-OPAMFIHVSA-N	414.477	5.038	30	20	HKED	
CC[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1	437558818	NNXHDXNRSKZPRT-NRFANRHFSA-N	416.443	5.141	30	20	HKED	
COc1ccc2cc(CN(C)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)ccc2c1	438633570	CAPZXYRRTGLCGG-UHFFFAOYSA-N	413.399	5.403	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1)c1ccccc1	438839898	WGPHXQAHLYCJCL-LEWJYISDSA-N	409.942	5.835	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1c(F)cccc1F	439645204	JEVQJFLCXGINBI-CYBMUJFWSA-N	411.383	5.207	30	20	HKED	
C[C@H](Nc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1	443519339	HZPJZHFHEYHWIJ-HNNXBMFYSA-N	411.914	5.186	30	20	HKED	
COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1	447530646	OVXUVPWQKHMRQM-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
COc1ccc(/C=C\c2ccc(OCc3nnc(-c4ccc(C#N)cc4)o3)cc2)cc1	461071633	BQCUTHCQEHHITK-IHWYPQMZSA-N	409.445	5.366	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1)c1cccc(C#N)c1	462262209	ZZYFDPINNBVSMV-MRXNPFEDSA-N	423.944	5.359	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2ccccc12	464803458	YOJBEDYPOZJUGP-OAHLLOKOSA-N	421.478	5.160	30	20	HKED	
CCOc1ccc(-n2c(SCCCSCC#N)nnc2-c2ccccc2)cc1	466614406	RTCMRFHRBNQARC-UHFFFAOYSA-N	410.568	5.072	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(Oc2ccc(F)cc2F)c1	469071766	PUWXZQHCOVGHBI-CTNGQTDRSA-N	419.431	5.064	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(c3ncccc3Cl)CC2)c2ccccc21	469965227	VOSXMGDNRASQBI-UHFFFAOYSA-N	406.917	5.013	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1	471190465	HBMDWICEUUTHTF-UHFFFAOYSA-N	413.521	5.573	30	20	HKED	
CC(=O)Nc1cc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc(C(F)(F)F)c1	471713100	LXRXZKSQHAFALT-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H]1c1cccc(F)c1	472053846	RHPZWIBRVQXPQX-MWTRTKDXSA-N	401.441	5.108	30	20	HKED	
CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C[C@@H](CC#N)c1ccccc1	476107918	ILEAGAWBAVDZIQ-GOSISDBHSA-N	411.343	5.027	30	20	HKED	
C=CCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)CCC1	480087668	HUZRTVJBGUTAAO-UHFFFAOYSA-N	403.526	5.270	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	482427943	RRUYEBHLKLBYKI-DKSSEZFCSA-N	423.385	5.050	30	20	HKED	
Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1ccccc1Cl	484130170	IIBDVHYGMICSHS-MRXNPFEDSA-N	419.699	5.136	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccccc1	484205440	VQPLKIFCFRYLFG-HXUWFJFHSA-N	415.449	5.200	30	20	HKED	
N#CCCN(C(=O)c1ccc(CCC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2	486568450	UZUFRQYQLOIPCS-UHFFFAOYSA-N	404.476	5.506	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)c3csc(-c4ccc(F)cc4)n3)s2)cc1	487323908	SSOZOEOUIWAPDX-UHFFFAOYSA-N	420.494	5.120	30	20	HKED	
N#CCCC[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccccc1	487577701	VABDEJSHKVJPND-OAHLLOKOSA-N	409.338	5.569	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)CC2)cc1	489797310	QOMSWYUKDYFILB-UHFFFAOYSA-N	405.807	5.552	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CCC(COc4ccccc4)CC3)c2)cc1	490033827	VYOVUNNMEOEKDE-UHFFFAOYSA-N	412.489	5.282	30	20	HKED	
C=CCc1cc(CN[C@@H](c2ccc(C)cc2)c2ccc(OC)cc2)cc(OC)c1O	500109808	JKEYAQKSLDCDAU-VWLOTQADSA-N	403.522	5.326	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc2ccccc2c1=O	501102295	VQTISRNPZXNZLF-ZDUSSCGKSA-N	424.913	5.139	30	20	HKED	
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1	505638640	RADIUERPOVBDNY-SFHVURJKSA-N	418.324	5.363	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	505686317	NSYMQAGDQACNRQ-HZPDHXFCSA-N	418.415	5.666	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc2[nH]ccc12	509986165	XNKLTVIYTOVYOZ-UHFFFAOYSA-N	402.267	5.290	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510868054	RAKFVNUADKDDGY-OAHLLOKOSA-N	423.925	6.031	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1OCC	513654721	NCXZGKKPDABLLO-AWEZNQCLSA-N	414.914	5.627	30	20	HKED	
N#C[C@H](C(=O)c1cc2c(s1)CCCCC2)c1nc(O)c2c3c(sc2n1)CCCC3	513687668	XLSSPZWOPITFAG-CQSZACIVSA-N	423.563	5.096	30	20	HKED	
N#CC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCCCC1	514240255	ZVQJCEIMRUCHGH-UHFFFAOYSA-N	418.928	5.078	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(Br)cc1F	517634535	LEQPAAWJYFGBBW-SNVBAGLBSA-N	401.201	5.329	30	20	HKED	
CCn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc2ccccc21	517801026	WACPGIMUHGMPGP-SFHVURJKSA-N	401.491	5.283	30	20	HKED	
N#C[C@@H](C(=O)c1sccc1OC(F)F)c1nc(-c2c(F)cccc2F)cs1	517952205	NSLPRLFKOYXHDF-QMMMGPOBSA-N	412.389	5.241	30	20	HKED	
N#CCCCOc1cccc(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c1	518275775	URNOWLZRTYKFRU-DEOSSOPVSA-N	408.904	6.041	30	20	HKED	
N#CCCSc1ccccc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1	518659987	BKVZZNKPFGLGGL-UHFFFAOYSA-N	404.417	5.373	30	20	HKED	
Cc1noc(CSc2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)n1	518667567	DULYKIMOFGYTMI-AWEZNQCLSA-N	424.551	5.174	30	20	HKED	
Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	521313529	USXWUMMTQNVKEE-UHFFFAOYSA-N	415.474	5.557	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	521746281	FCOATJOPUGZLQH-VGOFRKELSA-N	418.566	6.179	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(OCc2csc(C)n2)c1	521848015	GHCFEMPPWGKAIA-UHFFFAOYSA-N	424.570	5.026	30	20	HKED	
Cc1cc(N(C)C)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	522575681	AGORAVCZBMOTBH-UHFFFAOYSA-N	405.885	5.631	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1Oc1ccncc1	523797145	OTRUXDCHFIHASZ-HXUWFJFHSA-N	411.486	5.796	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ncccc1OCCCC#N	524023036	ISWMPXRGUSNZON-UHFFFAOYSA-N	418.931	5.163	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1	525413733	LEOKRMMQMNPKBJ-RBUKOAKNSA-N	407.583	6.476	30	20	HKED	
COc1ccc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cn2)cc1	525589922	RTNPEDNSQINDSW-UHFFFAOYSA-N	421.456	5.673	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](C)c1ccncc1OC)c1ccc(C(F)(F)F)cc1	525840366	JMPMPBLPNVTGBJ-RDTXWAMCSA-N	407.436	5.177	30	20	HKED	
Cc1nc(-c2ccc(CNC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)s2)cs1	531228265	SVZWQLGKZCVTSG-AZUAARDMSA-N	422.579	5.161	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2nnc(C(F)F)s2)cc1Cl	535587330	YZLGRRYQGHDYMG-UHFFFAOYSA-N	406.801	5.045	30	20	HKED	
C=C(C)[C@H](CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)OCC	535912006	WWEOZGNBPYWHJG-DYVFJYSZSA-N	423.376	5.121	30	20	HKED	
C[C@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1	537950571	CZKWICOHBNBPLP-YVEFUNNKSA-N	409.345	6.111	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(Cc4cccnc4)CC3)cc2)c1	540050069	JNGCFUVELIILRO-UHFFFAOYSA-N	412.493	5.232	30	20	HKED	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	541105335	VQRLVRIKEBKGPS-CQSZACIVSA-N	419.872	5.368	30	20	HKED	
N#Cc1ccc(CN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C2CC2)cc1	544284552	LPUCKGNNJKQTLD-UHFFFAOYSA-N	407.322	5.081	30	20	HKED	
C=CCC[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccccc1	545152460	GACZMANJSHPFBY-IFMALSPDSA-N	408.933	5.170	30	20	HKED	
CCN(C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C#N)c(Cl)c1	558157524	OTXMGNMUWMFNMD-UHFFFAOYSA-N	418.806	5.083	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NCc3ccccc3C(F)(F)F)cc2)ccn1	558511481	OZJSXWMUDMZFKX-UHFFFAOYSA-N	412.371	5.086	30	20	HKED	
CSC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSC1CCCCC1	561839296	DXWLTJPKPKHGBH-NRFANRHFSA-N	402.585	5.374	30	20	HKED	
N#Cc1ccc2c(c1)[C@@H](N[C@H](c1ccc3c(c1)OCCO3)c1ccccc1Cl)CC2	563963818	PSLNLEKSIYUMAR-WIOPSUGQSA-N	416.908	5.349	30	20	HKED	
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	564113449	RLJMAUMUNULWPP-SFHVURJKSA-N	423.532	5.007	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@H]1c1ccccc1	564431353	BSWZFDKAALIQIK-MHECFPHRSA-N	412.493	5.403	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	574335809	WZVSLJGJRJXAHK-SBUREZEXSA-N	407.539	5.082	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCC(OCC3CCCCC3)CC2)c2ccccc21	574452986	YCMWWBLMHYWGOF-UHFFFAOYSA-N	407.558	5.147	30	20	HKED	
Cc1csc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1C#N	576979104	KMNGISWHJUXTPE-UHFFFAOYSA-N	407.524	5.235	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(C#N)cc1	581511992	KPLNDPGAJSTBDY-OAHLLOKOSA-N	402.410	5.141	30	20	HKED	
N#Cc1ccc(SCc2nnc(-c3ccccc3Br)o2)c(Cl)c1	584578474	DMRXVOFBLLRYKF-UHFFFAOYSA-N	406.692	5.316	30	20	HKED	
COc1ccc(Nc2ccccc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1	603908721	FJRFXMRQFAMJDB-UHFFFAOYSA-N	410.524	5.072	30	20	HKED	
C=CCN(C(=O)CC1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	604936462	NDTCKSZCWVFIKE-UHFFFAOYSA-N	411.354	5.453	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCc3ccc(OC(F)F)cc3)cc2)c1	609064927	OZMMOYUWTLJBGO-UHFFFAOYSA-N	422.431	5.310	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccccn1	609079211	OYPUWAZYVFQMIJ-XMMPIXPASA-N	412.493	5.210	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1	609377902	KLXLKSUKSZRFBG-OAHLLOKOSA-N	421.547	5.504	30	20	HKED	
CCc1cccc2c(CCNC(=O)Nc3ccccc3S[C@@H](C)CC#N)c[nH]c12	609555988	QHCLGQZKULJXLM-INIZCTEOSA-N	406.555	5.489	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCOc2ccccc21	609784131	AREGRKWFKZGIFH-NRFANRHFSA-N	414.480	5.495	30	20	HKED	
Cc1nccc(-c2cccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c2)n1	609986923	LYEIEZKHEQOGGC-UHFFFAOYSA-N	405.461	5.320	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1	610147241	DOCQGXXFNNDHMX-UHFFFAOYSA-N	414.596	5.077	30	20	HKED	
N#C[C@]1(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CCSC1	610196980	WHADCBFUPDKRJF-LJQANCHMSA-N	423.390	5.415	30	20	HKED	
COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1Cl	610357268	JQIZWYZHZSFPSO-QMHKHESXSA-N	419.912	5.370	30	20	HKED	
COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N1CCC[C@](C)(C#N)C1	612318367	BFJBBADMAAADFJ-HXUWFJFHSA-N	417.918	5.013	30	20	HKED	
C=CCN(C(=O)COC(c1ccccc1)c1ccccc1)c1nc2c(s1)CCCC2	612743490	SIIBQWPIAHJDRE-UHFFFAOYSA-N	418.562	5.347	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)o2)cc1	613402922	KORAVWJCUJJPON-INIZCTEOSA-N	420.877	5.902	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccsc4)CC3)cn2)cc1	614423659	DENVLDIRQKEUSS-UHFFFAOYSA-N	404.495	5.219	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(-c2csc(C)n2)s1	615630675	SYVZNQLQRZMTRI-UHFFFAOYSA-N	401.532	5.217	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12	615971903	YKNNYEAUOUYROJ-UHFFFAOYSA-N	419.456	5.376	30	20	HKED	
Cc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc1C	683689863	QSAFHXMNTVTASR-LBPRGKRZSA-N	408.335	5.680	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1	684769020	UXDYTFSADWKOCH-MRXNPFEDSA-N	422.271	5.995	30	20	HKED	
N#CCCN(CCC#N)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34	729263336	QZTKXHOFZWBAMA-UHFFFAOYSA-N	407.473	5.203	30	20	HKED	
N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	730422306	VZEBHTVWWVHTBA-FQEVSTJZSA-N	400.478	5.834	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1	731223605	IECABZNKDNGYMB-RSXGOPAZSA-N	423.516	5.034	30	20	HKED	
Cc1cc2oc(=O)cc(CNc3ccccc3S[C@H](C)CC#N)c2cc1C(C)C	731352388	VWVKDQPCPKSLGJ-QGZVFWFLSA-N	406.551	6.231	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)CCOc2ccccc2-c2ccccc2)c1	733772007	WIWGLJURAMBIPB-QFIPXVFZSA-N	414.505	5.120	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)c1	733775355	SJNZYRXFONKGNO-NRFANRHFSA-N	402.469	5.412	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1)c1ccncc1	734654535	AJLHSEDCXHHXET-JTHBVZDNSA-N	405.567	5.973	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=S)Nc1ccc(OC(F)F)c(Cl)c1	735622978	RTRCMNTYCHPGPN-UHFFFAOYSA-N	400.853	5.466	30	20	HKED	
CC[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C)cc1	739154943	NJSHFOWRWXKCOJ-PBHICJAKSA-N	403.309	5.533	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	739160805	NBKUVJZYTGWDEU-JSGCOSHPSA-N	400.425	5.282	30	20	HKED	
COc1ccccc1[C@H](NC(=O)/C=C\c1ccccc1C#N)c1ccccc1Cl	741602009	CQNQAFWYBVTZMG-DJKHGBOQSA-N	402.881	5.139	30	20	HKED	
COc1ccc(CN[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc1C#N	742385222	SWGVRSJYGSFNAU-QHCPKHFHSA-N	410.489	5.446	30	20	HKED	
N#CCOc1ccc(Cl)cc1CS[C@H]1CCCN(c2ccccc2Cl)C1=O	742970955	LZZAXUQHLBSUIU-IBGZPJMESA-N	421.349	5.325	30	20	HKED	
N#Cc1ccc(-c2nnc(CN3CCCc4cc(OCc5ccccc5)ccc43)o2)cc1	743850451	XVCPCNUFFAQDRD-UHFFFAOYSA-N	422.488	5.140	30	20	HKED	
CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN(C)C[C@H](C)C#N)c1=S	746705819	BSYWJEXWTYRXBN-QGZVFWFLSA-N	410.591	5.192	30	20	HKED	
COc1ccc(/C=C2\COc3c(Cl)ccc(Cl)c3C2=O)cc1OCCCC#N	748583611	HYEBVNCMPICJHZ-GXDHUFHOSA-N	418.276	5.343	30	20	HKED	
C[C@H](O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	749353636	PKBBPFUGYKVXIY-HNNXBMFYSA-N	421.884	5.379	30	20	HKED	
CC(C)(C)n1cc(C=NNc2ccc(C(F)(F)F)nn2)c(-c2ccccc2Cl)n1	754709893	FCEAFLVNOGCXCJ-UHFFFAOYSA-N	422.842	5.213	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@H](c2ccsc2)O1	760007419	KIMMRRFXXSRICS-NLSFWIRASA-N	417.534	5.397	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)Cc1cccc(OCC#N)c1	760392628	URRRMMTYSBCDDU-IBGZPJMESA-N	400.478	5.219	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCC(=Cc3cccc(OC)c3)CC2)c1=S	760402500	RSKWJAYKGYDCTP-UHFFFAOYSA-N	422.554	5.006	30	20	HKED	
Fc1cccc2c1SCC[C@H]2N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	764775027	SQSGMBMQMLYXEA-YAMSLAJTSA-N	401.391	5.862	30	20	HKED	
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)OCCC(C)(C)C#N)c12	776371338	QXYKCJXIOJXVRW-UHFFFAOYSA-N	417.387	5.314	30	20	HKED	
N#CCc1ccccc1CC(=O)NCCCN1c2ccccc2Sc2ccccc21	777302260	JXAPMYSWPSUXEY-UHFFFAOYSA-N	413.546	5.104	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2ccc(OC)cc2)ccc1OC	779102235	SLLORFSELGYTFC-BKMJKUGQSA-N	416.521	5.264	30	20	HKED	
C[C@H](C#N)Oc1ccccc1N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	779712905	NPZTXBCCXVEVKL-VXGBXAGGSA-N	403.269	5.507	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1csc(-c2ccc(F)c(F)c2)n1	780134807	SWKRXQLSBYTXNF-UHFFFAOYSA-N	420.824	5.001	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CSCCS1)c1nc(-c2ccc(Cl)cc2Cl)cs1	780313350	OYMLRCLRZCXBKO-BXUZGUMPSA-N	415.392	5.142	30	20	HKED	
Cc1ccc([C@@H](Cc2ccccc2Br)NCc2ccc(C#N)cn2)cc1	783301688	ZVQMTMQNRJRVAC-JOCHJYFZSA-N	406.327	5.098	30	20	HKED	
C#CCC1(C(=O)OCc2csc(N(C(C)=O)c3ccccc3CC)n2)CCCCC1	788215883	FYHMMTKHAITRHY-UHFFFAOYSA-N	424.566	5.407	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C/c1nc(-c3cc(Cl)ccc3Cl)cs1)C2=O	788355701	JHLFPWNEUQMGPK-MLPAPPSSSA-N	412.301	5.596	30	20	HKED	
C=CCC[C@@H](NC(=O)N1CC[C@H](c2ccccn2)C1)c1ccc(C(F)(F)F)cc1	798443309	DEEIQFNWJIYBIQ-FXAWDEMLSA-N	403.448	5.307	30	20	HKED	
Cc1ccc(-n2c(Sc3nc(Cl)c(C#N)s3)nnc2-c2ccncc2)cc1C	804337767	MXLDAFCPBFDJNU-UHFFFAOYSA-N	424.942	5.079	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	805856925	HMFYVMOSMRAFOW-LJQANCHMSA-N	414.486	5.486	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1	806209887	GMJKFVBLGANSSO-MRXNPFEDSA-N	403.404	5.019	30	20	HKED	
C=CCOc1ccc(/C=C\C(=O)OCc2nc(-c3cccs3)oc2C)cc1OC	841356570	WJIOMOVIJFFJIV-NTMALXAHSA-N	411.479	5.042	30	20	HKED	
N#Cc1ccc(Br)c(CNc2cc(Cl)ccc2OC[C@H]2CCCO2)c1	864007226	TZDKXTPXQSTSFA-MRXNPFEDSA-N	421.722	5.144	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2cccc(Br)c2)cc1	915124645	SWRAAWKLMAYOKN-HXUWFJFHSA-N	422.351	5.913	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=S)Nc1ccccc1C#N	915997824	MTUJJEMGMXLZJA-UHFFFAOYSA-N	410.724	5.182	30	20	HKED	
CCCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	916876613	CTRVYMFSIBRTIE-FQEVSTJZSA-N	414.958	5.261	30	20	HKED	
CCCCc1oc2ccccc2c1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(OC)cc1	916951765	BRCOTYYEEVHKLL-NALLFNBYSA-N	416.477	5.145	30	20	HKED	
COc1ccccc1[C@@H](C/N=C\c1c(O)ccc2ccccc12)NC(=O)OC(C)(C)C	917559127	HFVCDHMHYRLHBC-UFUONIIZSA-N	420.509	5.239	30	20	HKED	
N#CCSc1ccccc1C(=O)OCc1c(Cl)nc(Cl)n1-c1ccccc1	917952092	WEYAAJWVUVRMQO-UHFFFAOYSA-N	418.305	5.152	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(Cl)cccc3Cl)n2)cc1	920143231	UWIJUXGQMSGUKW-HNNXBMFYSA-N	412.301	5.408	30	20	HKED	
CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1	1786393357	BQBRUURVLVNEIB-NRFANRHFSA-N	422.550	5.135	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1	1789449827	XDZHIMBKZVPKGG-XLIONFOSSA-N	416.512	5.324	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C)CCCCC2)n[nH]1	1822331554	PCRPLVZCZMKCAM-UYAOXDASSA-N	412.578	5.141	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1	8471978	BSEFYUHVYLPNLP-INIZCTEOSA-N	406.555	5.187	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)OCCO2	16408821	QSUVCDVNFSULQB-CSKARUKUSA-N	419.864	5.260	30	20	HKED	
CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2)cc1	22728673	HNOWFSKRINGKSQ-UHFFFAOYSA-O	419.570	5.547	30	20	HKED	
CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1	48823534	MJEVZPNMSXVPRF-OAHLLOKOSA-N	417.515	5.124	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1	55740429	HXKIJJDNRPIXKZ-UHFFFAOYSA-N	409.489	5.104	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccccc1Cl	59251715	UFEQMTCJKVUFED-UHFFFAOYSA-N	409.898	5.438	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1cccc2ncccc12	60127429	RYEQPKRRDVPADV-KRWDZBQOSA-N	408.461	5.338	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCC)cc1C(F)(F)F	64563699	PRXRBKJOVWQCLG-UHFFFAOYSA-N	408.420	5.333	30	20	HKED	
Cc1ccc2c(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c[nH]c2c1	97542510	FRUYDNXBYJTGSS-UHFFFAOYSA-N	409.489	5.417	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1	107783525	UUPXZRGCASWNHH-UHFFFAOYSA-N	414.836	5.025	30	20	HKED	
CN(CCCC1(C#N)CCOCC1)[C@H]1CCSc2ccc(Br)cc21	410365589	DRXTWIDJXDKWBJ-KRWDZBQOSA-N	409.393	5.018	30	20	HKED	
N#CCCn1cc(CNCC2(c3cccc(Cl)c3)CCCC2)c(-c2ccncc2)n1	433327954	UQOQGLRRRYWOBW-UHFFFAOYSA-N	419.960	5.114	30	20	HKED	
CCC(=O)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	437460163	QBDVPRIYEAVRSD-UHFFFAOYSA-N	418.424	5.100	30	20	HKED	
CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](c1ccccc1)c1ccc(F)cc1	440311381	GKBDWIVJPSZOMW-DEOSSOPVSA-N	412.468	5.359	30	20	HKED	
COc1ccc2occ(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1	442519768	SOHXTUUKAIYSIO-MRXNPFEDSA-N	408.866	5.708	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCOc3c(F)cccc32)cc1	443394458	RKKXYNHKPKMYBK-NRFANRHFSA-N	418.493	5.243	30	20	HKED	
C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(C)s1	460555864	UDEROLLSMCVIJQ-FQEVSTJZSA-N	419.554	5.016	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NCc1ncc(-c2ccccc2Br)o1	462226051	PPGCMNXPKKLDNE-UHFFFAOYSA-N	412.287	5.375	30	20	HKED	
CCCOc1ccccc1Oc1ncccc1CN=c1c(C#N)c[nH]c2ccccc12	462786519	YWGSXDHZWQKVCJ-UHFFFAOYSA-N	410.477	5.117	30	20	HKED	
N#C[C@@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1cc(C(F)(F)F)ccn1	464469575	SRVHFYKDIKVZBZ-QGZVFWFLSA-N	401.775	5.306	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)c1	464947688	CFAAEPKKPUZJLQ-IZZNHLLZSA-N	421.500	5.049	30	20	HKED	
C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C	466919009	XCBJFOYQHXNVCS-JSGCOSHPSA-N	423.376	5.039	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C	467578224	NCOXACXCZYNZQY-UONOGXRCSA-N	401.482	5.368	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1	471150051	ZPEGVCBRTPQUIF-UHFFFAOYSA-N	408.273	5.074	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1nc2ccccc2n1C	473672375	ASYGDTCYSRRTAL-OAHLLOKOSA-N	407.543	5.024	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1	475558978	MJZNLSMMRMUMSW-XMMPIXPASA-N	421.585	5.042	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1	476079897	MVHGYIBBXZVSSZ-OAQYLSRUSA-N	422.544	5.097	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSc1ncnc2sc(C)c(C)c12	476113919	WLRDMWUBVBNOFO-UHFFFAOYSA-N	411.596	5.891	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OCc2cnn(C)c2)c(OC)c1	476127517	APFGJBOFGMUOOP-UHFFFAOYSA-N	419.525	5.112	30	20	HKED	
CC(C)c1c(NC(=O)C[C@@H](CC#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	477016196	CSMWPYQZWPEXKG-GOSISDBHSA-N	406.917	5.675	30	20	HKED	
C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nnc1-c1ccccc1C	481346164	TWQXIGKIBQUJLF-OAHLLOKOSA-N	400.573	5.286	30	20	HKED	
COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	482816413	IHRAZCOBVUNKJO-SFHVURJKSA-N	400.478	5.278	30	20	HKED	
CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)Cc1ccccc1C(F)(F)F	483415830	WQAXJSAKADRECZ-OAHLLOKOSA-N	414.431	5.080	30	20	HKED	
CC(C)(C)[C@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	497388093	QKWWNLMYBYDUFS-DENIHFKCSA-N	408.567	5.174	30	20	HKED	
COc1cc(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1	497446222	WTLBOTJXVBCADM-ZDUSSCGKSA-N	404.825	5.240	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)[C@H]1CCC[C@@H](C)C1	499310440	GCCNFNSWWVELOS-UHUZZHMISA-N	419.569	5.201	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cs2)c1	500311048	IJPCDKCFWGBRLM-UHFFFAOYSA-N	403.551	5.218	30	20	HKED	
CCCCOc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1	501569288	DFTZCHUGUMUYPX-UHFFFAOYSA-N	416.525	5.512	30	20	HKED	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	503145746	BOTLOWXLDLHUPW-DVECYGJZSA-N	421.541	5.048	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(C(F)(F)F)cn1	505328287	DVTYCOKVNVPCSV-IBGZPJMESA-N	417.390	5.806	30	20	HKED	
COc1ccc2c(-c3ccccc3)c(C(=O)N[C@@H](C#N)c3ccccc3F)oc2c1	505913539	UWBHOYILOAXYFJ-FQEVSTJZSA-N	400.409	5.242	30	20	HKED	
C=CCOc1cccc(CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1	506802220	ADRJGRKQSMICGO-UHFFFAOYSA-N	406.448	5.119	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc(F)c(Cl)c2)cc1OC	508068061	BNCNHFKWEKONAE-UHFFFAOYSA-N	414.702	5.105	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1	508469461	FHNLCUDUYINAHD-IEBWSBKVSA-N	404.457	5.387	30	20	HKED	
Cc1[nH]nc(NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)c1C#N	508746634	IPTOJHRTSQTXOX-KRWDZBQOSA-N	417.321	5.369	30	20	HKED	
CCN(C(=O)CCCOc1cccc(Br)c1)[C@@H](C)c1ccc(C#N)cc1	509564704	PKQOUCHFAXTKMS-INIZCTEOSA-N	415.331	5.089	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1	510856343	DRRYYQCGWRUAEO-SFHVURJKSA-N	414.303	5.088	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1	511313440	HFXBJHSZBVBXAO-SFHVURJKSA-N	423.582	5.373	30	20	HKED	
N#CCCN(C(=O)CCC(=O)Nc1cccc(Nc2ccccc2)c1)c1ccccc1	511501171	UFWXBRMALIWCNY-UHFFFAOYSA-N	412.493	5.096	30	20	HKED	
CCn1c([C@H]2CCCN2Cc2ccc(OC)c(OCCCC#N)c2)nc2ccccc21	512614732	SHHIZDWKEGTKAZ-JOCHJYFZSA-N	418.541	5.084	30	20	HKED	
C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1Br	514771029	HSGLAAPLAKOMOA-OAHLLOKOSA-N	421.294	5.394	30	20	HKED	
C=CCc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc(OC)c1OC	520877592	MLCKBZMPNOQKQY-GOTSBHOMSA-N	401.506	5.005	30	20	HKED	
C=CCN1CCC(NC(=O)N[C@H](c2ccc(CCCC)cc2)c2cccs2)CC1	521594570	KVEAGWNISOUBLF-HSZRJFAPSA-N	411.615	5.130	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNC(c2cccs2)c2cccs2)c1	523391775	JMJPXIMRGPLTCV-UHFFFAOYSA-N	416.571	6.139	30	20	HKED	
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2[nH]c3ccccc3c2Br)cc1	524572646	KOWZDTUMVJZEOF-QGZVFWFLSA-N	410.315	5.223	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3ccc(F)c(C#N)c3)s2)cc1	524828752	AFZMSMXSUGRAHM-OAHLLOKOSA-N	408.502	5.663	30	20	HKED	
COCCc1nc2cc(NCc3cccc(OCc4cccc(C#N)c4)c3)ccc2o1	531001387	KWEBNPFIGREHIL-UHFFFAOYSA-N	413.477	5.079	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C	531076089	VZKQXUBHSWPEKM-KXBFYZLASA-N	416.978	5.159	30	20	HKED	
COc1ccc(CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1C#N	533468676	UYMPTFRIAYSMPG-UHFFFAOYSA-N	405.527	5.018	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1Cl	534897447	JVAVYUHJPUBIDO-QFIPXVFZSA-N	403.869	5.280	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccccc1	535345077	LZNJEBSGAIXWMF-MRXNPFEDSA-N	405.885	5.286	30	20	HKED	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(C4(C#N)CC4)cc3)s2)cc1	538573481	HMRLPNWPLJEZQP-OAHLLOKOSA-N	417.534	5.173	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNCc2ccccc2OCc2ccccn2)cc1	538609855	COZARNQHPKXYSG-UHFFFAOYSA-N	405.501	5.489	30	20	HKED	
O=C(CCCC(F)(F)F)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	538841018	YKNLXFDBXYIHPA-UHFFFAOYSA-N	410.289	5.703	30	20	HKED	
C=CCC[C@@H](N[C@@H](C)c1cnc2cc(C)nn2c1C)c1ccc(C(F)(F)F)cc1	539052425	ZVOREMCNQFXCKC-MGPUTAFESA-N	402.464	5.723	30	20	HKED	
O[C@@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)Cc1ccccc1C(F)(F)F	540377235	LGVPDKJCAXRKJB-NVXWUHKLSA-N	409.345	5.031	30	20	HKED	
N#CC1(CCCNc2ccccc2Oc2ncc(Cl)cc2Cl)CCOCC1	540809850	UIBONJLASVTQOP-UHFFFAOYSA-N	406.313	5.693	30	20	HKED	
C[C@@H](NC(=O)c1ccc(-c2ccccc2)nc1O)c1ccc(-c2cccc(C#N)c2)cc1	541133323	ZBMOOJYEOPBYII-GOSISDBHSA-N	419.484	5.484	30	20	HKED	
Cc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	542066228	YBCGUDINKRAILF-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
CCCc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1	543966041	CRLHLVUPEVYDAT-JTHBVZDNSA-N	413.525	5.128	30	20	HKED	
N#Cc1cc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)cnc1C(F)(F)F	555665547	PGKYFJODDUMNGM-UHFFFAOYSA-N	413.403	5.079	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1	557064941	DBHMBYVRHFAAMF-UHFFFAOYSA-N	404.857	5.226	30	20	HKED	
N#Cc1ccc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(C(F)(F)F)c1	558567572	XYKDQIMLQXTZKQ-HNNXBMFYSA-N	403.379	5.237	30	20	HKED	
Cc1cccc([C@H](c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)C(C)C)c1	571566960	VRJAEZKTEFEQOJ-XMMPIXPASA-N	416.525	5.045	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc(OC)c1OC	574548114	SNANZHPNCRBOSN-ZDUSSCGKSA-N	409.404	5.014	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)cc2)ccn1	577684506	IQFTZKWRGRPLON-UBFVSLLYSA-N	424.504	5.546	30	20	HKED	
C=CCCC1(c2nc(CC(=O)Nc3nc(-c4ccccc4Cl)cs3)no2)CC1	577780851	KFLXVTPGSFAVDT-UHFFFAOYSA-N	414.918	5.026	30	20	HKED	
Cc1nc(CC(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	590208882	INDXXRQYDHPINU-GFCCVEGCSA-N	417.506	5.542	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)C2CCC2)cc1	591501329	NYSRLSQAGVOUCK-HSZRJFAPSA-N	403.526	5.164	30	20	HKED	
N#Cc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)c(C(F)(F)F)c1	602756095	JPYVMUYJUZLFKU-GOSISDBHSA-N	405.807	5.207	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1	604929871	ZSBIBCHVACQULY-KRWDZBQOSA-N	413.820	5.635	30	20	HKED	
C=CCN(C(=O)C[C@H](C)c1ccc(C(C)C)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1	606196920	VVBLBEOSZXMGRL-PMACEKPBSA-N	417.557	5.055	30	20	HKED	
CCN(C(=O)CNc1ccccc1SC[C@@H](C)C#N)c1cccc2ccccc12	609384795	ZDEZRRMGQQJUTP-SFHVURJKSA-N	403.551	5.557	30	20	HKED	
CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1	609437676	JZJUUDJEUNXMKW-VGOFRKELSA-N	423.582	5.313	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)N[C@@H](C#N)c3ccccc3Br)ccc2c1	609590867	NDMAPMWLLGTVMZ-QKKBWIMNSA-N	423.310	5.095	30	20	HKED	
N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)n1	609789617	AWINCUYZZNMKEK-HTXNQAPBSA-N	419.488	5.084	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2cc(F)ccc2[C@@H]1C	610017060	AKKJJTZBKDZSLL-KRWDZBQOSA-N	415.468	5.949	30	20	HKED	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	610019181	RJUZIMMJWJJEJT-MRXNPFEDSA-N	401.441	5.641	30	20	HKED	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1cccc(C#N)c1	610406545	CYKSVLSKYAECAL-CQSZACIVSA-N	418.310	5.141	30	20	HKED	
N#CCCn1cc(/C=C/c2nc(Cc3ccc4ccccc4n3)no2)c2ccccc21	612894135	RXGPHQZJQYCESG-ACCUITESSA-N	405.461	5.247	30	20	HKED	
COc1cc([C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)ccc1OCc1ccncc1	613414579	USFLIMWDZTWGEJ-KRWDZBQOSA-N	416.525	5.406	30	20	HKED	
Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3C)n2Cc2ccco2)c1	614401034	XYSALXPAWURWAR-UHFFFAOYSA-N	400.507	5.367	30	20	HKED	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1	620564767	VZGQEVCOHMWCCX-ZDUSSCGKSA-N	409.923	5.872	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCc2sccc2C1	642705158	WBSJQCXTUNXJHK-INIZCTEOSA-N	412.534	5.148	30	20	HKED	
N#C[C@H](C(=O)c1ccnn1C1CCCC1)c1nc2cc(C(F)(F)F)ccc2s1	675908290	KEDLQRCJETUMQQ-CYBMUJFWSA-N	404.417	5.117	30	20	HKED	
C=C(Br)CNC(=O)c1oc2ccccc2c1COc1ccccc1Cl	726530986	QSDKSICNLUDFDP-UHFFFAOYSA-N	420.690	5.304	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=S)NCCc3cccs3)cc2Cl)cc1	727697591	QJSHZSXTFMLRCS-UHFFFAOYSA-N	413.955	5.595	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CC3(Cl)Cl)cc2Cl)c1	728122052	VPBRVGXLOQOJLO-AWEZNQCLSA-N	424.715	5.106	30	20	HKED	
Cc1ccccc1-c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1	728200973	XOHHVCBNAGGQJB-UHFFFAOYSA-N	414.440	5.247	30	20	HKED	
CCN(C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)[C@@H](C)c1ccc(C#N)cc1	730470741	FDKCOUSNWZGYHS-HNNXBMFYSA-N	411.477	5.268	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1nc2ccccc2n1C(F)F	730922462	RHIXSOUAJZRYKJ-GBESFXJTSA-N	401.416	5.565	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	731288114	PQNCPNQEJJOYRJ-SMIHKQSGSA-N	404.469	5.444	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)N[C@H](C#N)c3ccccc3Br)ccc2c1	733266115	FPYQQYCVJIOPOF-HWDCPHDLSA-N	421.294	5.005	30	20	HKED	
N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccncc2)cs1	734082758	GVHUVALYMVAISE-JKSUJKDBSA-N	401.413	5.118	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1ccc(CCC)cc1)c1cccs1)c1ccncc1	734655927	XEQRLZTZSXJFNZ-GMAHTHKFSA-N	405.567	5.802	30	20	HKED	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)c1c(Cl)nc2sccn12	741843321	FELDEDJHKJPMLR-FPLPWBNLSA-N	417.321	5.152	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(Br)cc2Cl)S1	742346504	LUSPAKJOGIFYDB-OVCLIPMQSA-N	421.747	5.611	30	20	HKED	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1	743997491	PALINJRYWNFZEA-MRXNPFEDSA-N	417.896	5.003	30	20	HKED	
C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F	744026435	XVUXAICIBQZJHQ-UILAEWCASA-N	406.791	5.110	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1	744027774	CVDITLXCSSFFBX-SFHVURJKSA-N	422.554	5.062	30	20	HKED	
C[C@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	744037879	HJQTZDJHGPLJLM-DOMZBBRYSA-N	420.431	5.899	30	20	HKED	
CCCOc1ccc(C=NO[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC	744444184	SFRQXYYRMDUGAQ-HNNXBMFYSA-N	413.449	5.093	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O[C@H](C)C(C)(C)C#N	753627390	AAFHNLSIMGSDMK-LLVKDONJSA-N	408.882	5.196	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)/C=C\c2ccc(Cl)nc2)cc1	758958791	YBNBCUXILDITHZ-WCIBSUBMSA-N	405.841	5.059	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Oc2ccc(-c3c(C)noc3C)cc2)cc1OC	759908522	BCCBWQZWQNQIAG-NTUHNPAUSA-N	405.450	5.151	30	20	HKED	
N#CCCn1cc(C(=O)COC(=O)c2c(Cl)cc(F)cc2Cl)c2ccccc21	763538875	ARTPSYXZKSZKJX-UHFFFAOYSA-N	419.239	5.041	30	20	HKED	
N#C[C@@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1ccc2ccccc2n1	765910825	OKUCPLAYWLZXCQ-XMMPIXPASA-N	422.484	5.112	30	20	HKED	
Cc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)ccc1C#N	766492399	VBGUOFUGDJXIGK-SXGWCWSVSA-N	415.305	5.361	30	20	HKED	
CC(=NNc1c(F)cc(F)cc1Br)c1nc(C(F)(F)F)cs1	767379355	LBBDTKNCHVEPDJ-UHFFFAOYSA-N	400.170	5.039	30	20	HKED	
N#C[C@H](C(=O)CCC(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	767433137	QHCVXGFMCVANPQ-QGZVFWFLSA-N	412.873	5.442	30	20	HKED	
Cc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)ccc1OCC(F)(F)F	770578230	IGSBOCWBECVTPW-UHFFFAOYSA-N	414.431	5.325	30	20	HKED	
CC(C)Oc1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1C#N	771838223	NFAZRJJCRAIVHZ-UHFFFAOYSA-N	411.861	5.409	30	20	HKED	
N#C[C@@H](COC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)Cc1cccs1	772737302	QUJQBBXKCSVOQB-LBPRGKRZSA-N	422.453	5.430	30	20	HKED	
O=C1/C(=C\c2ccccc2OCc2ccccn2)CCc2ncc(C(F)(F)F)cc21	777467015	IABNTVQKYKCVKR-WJDWOHSUSA-N	410.395	5.287	30	20	HKED	
CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1sc(C2CCCCC2)nc1C)c1ccccc1	787038625	OKTJUBKYVABBPQ-OALUTQOASA-N	409.555	5.089	30	20	HKED	
C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H](C)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl	787051907	VRMDVGRAIDZPRK-BWACUDIHSA-N	423.727	5.337	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787054359	UFVYDKVMOPBZFO-IINYFYTJSA-N	424.353	5.082	30	20	HKED	
N#C[C@H](C(=O)CCc1cnc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	796633006	GNIFKUSKRQZMOY-LJQANCHMSA-N	417.921	5.821	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1	806223750	JQDGLWVQFQZERF-UHFFFAOYSA-N	419.525	5.019	30	20	HKED	
Fc1ccc(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1	914707780	ZXJWTXXPMTUEQC-MBTKJCJQSA-N	406.342	5.161	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2coc(-c3cccs3)n2)cc1	915351687	AZFXMVSLPGOATE-FQEVSTJZSA-N	414.490	5.380	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(F)F	917028820	VMJJKYIPZBPUEX-IBGZPJMESA-N	423.419	5.596	30	20	HKED	
C=CCN(Cc1ccccc1F)Cn1nc(Nc2ccc(OC)cc2)sc1=S	918182013	MILIELYCXVFFEA-UHFFFAOYSA-N	416.547	5.211	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1	1789449822	XDZHIMBKZVPKGG-PXNSSMCTSA-N	416.512	5.324	30	20	HKED	
C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1	1791577589	QQCWVLPFOZCFPD-LBPRGKRZSA-N	423.365	5.059	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccccc2CC)cc1	10174910	FDTPGODOIXJIPH-UHFFFAOYSA-O	417.598	5.712	30	20	HKED	
C=CCN(C(=O)c1ccc(OC(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	14724177	YBBCYXSWHYQEIF-UHFFFAOYSA-N	423.494	5.338	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12	24499808	MJVQUXOJRYVAIH-UHFFFAOYSA-N	401.466	5.236	30	20	HKED	
N#C[C@@H](C(=O)CSc1ccc2ccccc2n1)c1nc(-c2ccccc2)cs1	27443821	VREKGZFGBGCFPN-KRWDZBQOSA-N	401.516	5.327	30	20	HKED	
Cc1ccc(-c2cc3nc(SCC#N)n(Cc4ccccc4)c(=O)c3s2)cc1	36184175	OPWHYGMYPZYSEA-UHFFFAOYSA-N	403.532	5.097	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	47521209	DNOYOZUTIUAMQM-LLVKDONJSA-N	413.346	5.002	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1	48141438	ZXAYYMOZSPUEGE-UHFFFAOYSA-N	405.951	5.007	30	20	HKED	
CSc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1NC(C)=O	55430181	SJYFFRSIJVMNOV-UHFFFAOYSA-N	417.490	5.283	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1C#N	58253995	ORXDHKGDOSBXGE-UHFFFAOYSA-N	406.536	5.292	30	20	HKED	
CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	58384188	GVVOCPMBSWTUKI-SFHVURJKSA-N	401.466	5.288	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1SCC(F)(F)F	60491165	GYGITQDAIUJLIO-UHFFFAOYSA-N	424.444	5.019	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F	63394280	UCPJYXIUADUAKZ-UHFFFAOYSA-N	403.404	5.028	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CCSc2ccc(Br)cc2)c1	64741954	LFSUZPSTUUTTEB-UHFFFAOYSA-N	419.344	5.253	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1	111020798	NCQNUKXSLAIIKK-UHFFFAOYSA-N	422.916	5.102	30	20	HKED	
CCOc1ccc(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1	115446201	RGNFKHDUQQVJLI-UHFFFAOYSA-N	423.538	5.138	30	20	HKED	
C[C@H](Nc1nc(N[C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])s1)c1cccc(C#N)c1	301441570	MMCVZIZCZHXTGI-KBPBESRZSA-N	418.482	5.141	30	20	HKED	
COc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1F	303122893	AMNXXOANWMXPAY-UHFFFAOYSA-N	424.859	5.120	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1	303260249	FATTXSUAUJUTEN-OAHLLOKOSA-N	420.538	5.538	30	20	HKED	
COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1C	409651317	KBHQFJMJDLOUAF-UHFFFAOYSA-N	401.466	5.298	30	20	HKED	
C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)c2cc(C(F)(F)F)ccc2S1	429831673	ZNPUUOVHTYGQHN-ZDUSSCGKSA-N	422.497	5.852	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	432863703	FCBAOWINVZWNAB-DIFFPNOSSA-N	411.424	5.487	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cc(Br)ccc1F	433776566	WOOZXWVJXYNUBM-LBPRGKRZSA-N	407.308	5.164	30	20	HKED	
Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2C)o1	434503839	QUERZNFHMMZITC-UHFFFAOYSA-N	412.449	5.397	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(Oc4ncc(Cl)cc4Cl)cc3)CC2)c1	435046605	UVQAXRQPOGLQIA-UHFFFAOYSA-N	424.287	5.723	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[C@@H]1c1ccccc1	437510258	ZFYFIIUWJJLWCQ-JTSKRJEESA-N	416.550	5.263	30	20	HKED	
COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1	438627231	LWBZPVHAMOANEB-ZDUSSCGKSA-N	423.460	5.198	30	20	HKED	
Cc1ccccc1NC(=O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	438736148	VCCMQGICJFPOIU-UHFFFAOYSA-N	401.485	5.037	30	20	HKED	
N#CC1CCC(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CC1	440982419	XEFPJUAZCHDZPF-UHFFFAOYSA-N	418.419	5.344	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c2ccccc21	444535523	UZIWLADIKZQKRS-UHFFFAOYSA-N	423.520	5.397	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl	447322805	BOPZNUFVQQKIGT-KBPBESRZSA-N	422.381	5.534	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	460879998	JGHZMXHWQKAVPP-WOJBJXKFSA-N	403.309	5.442	30	20	HKED	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	461320258	XUEAXDZYDHEALZ-KSFYIVLOSA-N	401.441	5.108	30	20	HKED	
C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1Cc1cccs1	461326302	UNCCSDPGNNROTR-SFTDATJTSA-N	408.571	5.036	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(C)cc3)o2)nnc1-c1ccc(F)cc1	463047176	FXSPMNXUHYPFTN-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1cc(C(F)(F)F)ccn1	464419467	MVISNPJSVYFSOC-SECBINFHSA-N	413.833	5.429	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ncc(-c2ccccc2Br)o1	464817150	VGSGPDSHWLRVQG-UYAOXDASSA-N	422.326	5.376	30	20	HKED	
C=CCCN(C)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C	466760339	HEXDXUASIJHQBR-CYBMUJFWSA-N	408.365	5.160	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4cc(Cl)cc(Cl)c43)ccc21	469209069	JBNIMZDYCROPKR-IBGZPJMESA-N	414.336	5.676	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(N[C@H]3CCSc4ccc(Cl)cc43)ccc21	469308192	ZZOYTARQEYMUGZ-IBGZPJMESA-N	411.958	5.572	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCO[C@@H]1c1ccc(C)cc1	470073580	OKQNNAPEPRLMMQ-UYAOXDASSA-N	404.963	5.328	30	20	HKED	
CCN(CC)CCn1ccc2cc(NC(=O)C[C@@H](CC#N)c3ccccc3)ccc21	475447832	QGPPTYMXBINMMM-OAQYLSRUSA-N	402.542	5.009	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(OC)ccc1OC(F)F	475566634	ULNYWBNKUISABX-UHFFFAOYSA-N	404.457	5.470	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	476455080	HKGLVVXCDIDMTO-HXUWFJFHSA-N	412.537	5.549	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	476847366	REJWZLVIIQALLE-UHFFFAOYSA-N	410.930	5.541	30	20	HKED	
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C2CC2)C2(C#N)CCC2)cc1	477448498	MZYFTMAMYXJKHJ-UHFFFAOYSA-N	413.521	5.213	30	20	HKED	
COc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c(OC2CCCC2)c1	477773289	YZAXDFGFSAHDSB-UHFFFAOYSA-N	407.514	5.139	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnc2ccccc12	482116758	WUYHHRGOGOVBQZ-UHFFFAOYSA-N	407.473	5.441	30	20	HKED	
CO[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(O)cc1	487562616	FIVOJUXETLOQST-NRFANRHFSA-N	408.841	5.036	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1	488263999	LDFXUDONVZPBMV-UHFFFAOYSA-N	414.490	5.135	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccn1	488926583	AMTWDNZRPULRRW-QFIPXVFZSA-N	412.518	5.242	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CC1	489574656	ZWXRVVYWRYUJBP-OAQYLSRUSA-N	402.523	5.187	30	20	HKED	
CC(C)Oc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1	497839085	DMKSUWBWECOPNV-UHFFFAOYSA-N	402.519	5.427	30	20	HKED	
N#CCCn1cc(CNc2ccc(Cl)c(Br)c2)c(-c2ccccc2)n1	500725085	ZPESGUWVBLDLMN-UHFFFAOYSA-N	415.722	5.492	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)cc1	504012399	DMLAEIOHVURXLV-UHFFFAOYSA-N	411.486	5.357	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)nc(C)n1	505300100	OXOLNPPDIWXZLV-INIZCTEOSA-N	418.909	5.514	30	20	HKED	
C=CCC[C@@H](NC(=O)NC[C@@H]1CCCn2cc(C)nc21)c1ccc(C(F)(F)F)cc1	506094485	VRLYEOTVZNMZEA-PKOBYXMFSA-N	420.479	5.094	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](CO)c1ccc(Cl)cc1	506790743	SSWCVGFUGDCYOX-NRFANRHFSA-N	406.869	5.027	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N(CC3CCCCC3)c3ccccn3)o2)cc1	507954954	YNGLQLMDTLJHBU-UHFFFAOYSA-N	415.493	5.352	30	20	HKED	
CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2cccc(OCc3cccnc3)c2)no1	508027838	NUVVWUBLLLSEFE-UHFFFAOYSA-N	414.440	5.047	30	20	HKED	
CC(C)[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1	508225710	ZSKFWZZQMHYUKB-JOCHJYFZSA-N	411.933	5.162	30	20	HKED	
COc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510003796	DRXJLDFXUDCCPJ-FQEVSTJZSA-N	405.885	5.326	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)Cc3cc4c(ccc5ccccc54)o3)CC2)c1	510563423	ABMZMIPBXNCMIJ-UHFFFAOYSA-N	410.473	5.070	30	20	HKED	
Cc1cc(CSc2ncccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)no1	518150558	GBVHMGNIRCXSAO-AWEZNQCLSA-N	424.551	5.174	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1cccc(OC(F)F)c1	518603714	IYFCBRAHFRFWCH-UHFFFAOYSA-N	424.422	5.383	30	20	HKED	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519026778	YOOLGWTXUBFFSL-HNNXBMFYSA-N	419.462	5.378	30	20	HKED	
N#CCCSc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	520806825	RURRBVKAZSULGF-UHFFFAOYSA-N	411.914	5.572	30	20	HKED	
Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl	521109121	FNJJOCIRXOXGQH-UHFFFAOYSA-N	414.896	5.365	30	20	HKED	
Cc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)sc1-c1ccc(F)cc1	521512921	RYHXOTNFXUYSCD-UHFFFAOYSA-N	420.509	5.418	30	20	HKED	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	522070464	UJEFPHLZCWNDBA-QGZVFWFLSA-N	412.518	5.316	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1	523405128	SMUQLKOLOVCXJK-HXUWFJFHSA-N	412.464	5.099	30	20	HKED	
CSCCc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	524321873	QQKWEZBCBULGFJ-UHFFFAOYSA-N	418.587	6.008	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1	524438701	RRQIRQCCZQYJPU-OPAMFIHVSA-N	415.493	5.484	30	20	HKED	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1	524439817	KSKCSLCETSTMPB-UHFFFAOYSA-N	419.912	5.763	30	20	HKED	
Cc1cc(C)cc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1	524877931	SOUQKOSRFDNOKE-UHFFFAOYSA-N	400.547	5.440	30	20	HKED	
CC(C)C[C@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1	536080274	PEDNZZRZXMVJJF-JOCHJYFZSA-N	409.580	5.526	30	20	HKED	
COCCOc1c(Cl)cccc1NC(=O)c1ccccc1Oc1ccccc1C#N	537553194	JBADVSNOXQAWHS-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
Cc1cc(NC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)nn1CCC#N	538618924	GOZGADBFSNTILI-OAQYLSRUSA-N	407.543	5.201	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3occc3-c3ccc(F)cc3)n2)c(Cl)c1	541140621	XJOCFULBTZMFOY-UHFFFAOYSA-N	406.804	5.049	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCCCC(C)(C)C#N	543506530	WKKZIIMAQQDRQA-ZDUSSCGKSA-N	406.393	5.862	30	20	HKED	
Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	544194793	YTJLMGGGGMFZOI-UHFFFAOYSA-N	408.889	5.516	30	20	HKED	
CC[C@@H](C)c1ccc([C@H](NCc2cnc3ccc(C#N)cn23)c2cccs2)cc1	551529932	LFPIRPPFSWSAMG-OSPHWJPCSA-N	400.551	5.660	30	20	HKED	
Cc1cc(F)ccc1C1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1	552972779	PFKWTNJVFJVEGC-UHFFFAOYSA-N	418.468	5.198	30	20	HKED	
COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1	553233475	LLFRJIQBMDUVIF-XXBNENTESA-N	406.526	5.116	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3coc(-c4ccccc4Cl)n3)cc2)ccn1	555078929	CITOTGIKIWEZHX-UHFFFAOYSA-N	416.824	5.306	30	20	HKED	
COc1ccc([C@@H](C)CCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1	568936488	DNAQWAQUHBBZRM-KRWDZBQOSA-N	416.481	5.069	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(OCc2ccccc2)cc1	569775541	LQLLVBMPNFUPNH-XJUOHMSHSA-N	418.443	5.028	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)n1	572668593	FAFSOKIXSDOHPM-OAHLLOKOSA-N	407.461	5.376	30	20	HKED	
CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)c1csc(-c2cc(F)ccc2F)n1	578286473	ZNEMYTQHUBREHW-UHFFFAOYSA-N	401.413	5.015	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)c2ccccc12	579157525	YZYYANHLKJYAHS-IRXDYDNUSA-N	421.541	5.520	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1	603532779	SEUMWOYVVFOQMY-HSZRJFAPSA-N	420.871	5.196	30	20	HKED	
N#CCc1cccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c1	603733482	QHUFWRYWBTVXQY-UHFFFAOYSA-N	424.382	5.015	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1cccs1)C1CC1	609077997	AGCUQSAPSJBPPK-QHCPKHFHSA-N	417.534	5.780	30	20	HKED	
COc1ccc([C@@H](NC(=O)c2cc3ccccc3n2CC#N)c2ccc(C)cc2)cc1	609167268	PUJMHOOMCPPANX-VWLOTQADSA-N	409.489	5.001	30	20	HKED	
CCCN(CCc1ccccn1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208362	GHLQPWUSMZFOIO-UHFFFAOYSA-N	400.482	5.232	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(c1ccccc1)c1ccccc1	609435468	PSXNKYVFBCWOTE-LJQANCHMSA-N	415.562	6.166	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC(=Cc4cccc(F)c4)CC3)cc2)nc1	609515953	VSDCWSQYWIGBOI-UHFFFAOYSA-N	413.452	5.204	30	20	HKED	
COc1ccc2sc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c(C)c2c1	610223987	YYLLWJBKMHRLDN-UHFFFAOYSA-N	415.474	5.530	30	20	HKED	
CC1CCN(Cc2ccc(CNC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2)CC1	611093128	WKWOXJPPPHPZPE-UHFFFAOYSA-N	416.352	5.027	30	20	HKED	
CN(Cc1ccc(Cl)cc1Cl)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	612309560	CEMFRGZANNFNIJ-UHFFFAOYSA-N	415.242	5.205	30	20	HKED	
CC(C)(C)C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)F	679305874	JEEOARMOAFPEMQ-GUBZILKMSA-N	416.328	5.126	30	20	HKED	
Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	726143127	YMCUOSDUWPTDEI-QHCPKHFHSA-N	409.514	6.026	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)O[C@@H](c3ccccc3)c3ccncc3)o2)cc1	728147744	ZFTDWTRQTBTIAB-DEOSSOPVSA-N	410.429	5.072	30	20	HKED	
N#CCOc1cccc(/C=C\C(=O)c2ccc(Br)cc2Br)c1	730152080	ZYOOXPISZUGEAT-DAXSKMNVSA-N	421.088	5.010	30	20	HKED	
N#CCOc1ccc(CC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)cc1	732015711	AZTIGOYKRLCODX-MHZLTWQESA-N	406.485	5.190	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c1	732708024	JRTUARQQNRPRIY-LJQANCHMSA-N	406.388	5.027	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)cn2)c1	733031400	RVSXTTCELGFDLB-NRFANRHFSA-N	420.419	5.393	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(C(F)(F)F)c1	739153912	ADBWYUNOAICWEU-NHYWBVRUSA-N	422.859	6.339	30	20	HKED	
C/C=C/c1ccc(OCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(OC)c1	739595614	KVZCVBCHHZEIFZ-HWKANZROSA-N	418.518	5.024	30	20	HKED	
COc1ccccc1[C@H](NC(=O)/C=C/c1ccccc1C#N)c1ccccc1Cl	741602012	CQNQAFWYBVTZMG-DKUDOZJNSA-N	402.881	5.139	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C	741642784	CMTXXUQNWXFYTI-UHFFFAOYSA-N	400.862	5.175	30	20	HKED	
C#Cc1ccc(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C(C)C)ccc2C)cn1	741977371	GVBOKLFTEIOTKR-UHFFFAOYSA-N	412.468	5.360	30	20	HKED	
C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H]2c2ccc(Cl)cc2)c1=S	742174083	QZUVHECZKSCELZ-FQEVSTJZSA-N	410.974	5.249	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	744025339	KAXVYFZWJVTWII-ZACQAIPSSA-N	407.684	5.098	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(F)(F)F)c1	744063396	MUYAETDVBLJGMP-GQPJMJRUSA-N	413.424	5.504	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc(Br)c1OC	746346686	UCIJNIJGMUYRTM-HJWRWDBZSA-N	421.335	5.147	30	20	HKED	
C=CCCCC(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1	748241226	ZUQVXLKSMMXOLT-UHFFFAOYSA-N	412.433	5.246	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1ccc2ccccc2n1	751825258	GTXZBNFIPMTQCA-SFHVURJKSA-N	417.921	5.795	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)cc1C#N	752797196	QQYZXWQPAAXECS-JKSUJKDBSA-N	408.502	5.079	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1	756644637	LEIVAILCKWNIMK-HUUCEWRRSA-N	412.584	5.054	30	20	HKED	
CCCCOc1ccc(C=NO[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC	758411559	YUFOFWVXYURHRL-SFHVURJKSA-N	423.513	5.653	30	20	HKED	
C#CCNC(=S)/C(=C(/O)c1sc2ccccc2c1C)[n+]1ccc(C(C)(C)C)cc1	759057452	DGWXDGXLIXDOCL-UHFFFAOYSA-O	421.611	5.229	30	20	HKED	
CC(=O)Nc1ccc(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F	764850721	MKPIWKKYHNUWJI-OAHLLOKOSA-N	423.284	5.263	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)ccc1OC	774447211	GBVSTBOSLCURHC-DENIHFKCSA-N	418.459	5.636	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OCc2cccnc2)cc1	775601274	ADGKGTZUCIXMOF-UHFFFAOYSA-N	413.930	5.596	30	20	HKED	
C[C@H](NC[C@@H](C)Sc1ccc(Br)cc1)c1ccc(OCC#N)cc1	776164609	JELFPSZTHGCYEE-CABCVRRESA-N	405.361	5.183	30	20	HKED	
Cc1[nH]nc(C(F)F)c1NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	781357969	XACMBOFPLAGZPR-IHWYPQMZSA-N	413.268	5.345	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3ccc4ccccc4c3)cc2)c1	782803810	YXOAWGHCOIEDQJ-UHFFFAOYSA-N	407.429	5.081	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3(Cc4ccccc4F)CC3)n2)cc1	785884722	IHSZLKDPSPUOLX-GOSISDBHSA-N	406.482	5.157	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1cnn(C(C)C)c1C	787187571	XEWOGFRFIQMIRZ-KTKRTIGZSA-N	400.885	5.014	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(Br)c(Cl)c1	790463282	CZDSRSRJUGKCQS-SNVBAGLBSA-N	410.724	5.002	30	20	HKED	
COc1ccc2c(c1)c(C(=O)OCCCC1(C#N)CCOCC1)c(C)n2C1CCCC1	800172283	FVRQYLTUTDJBON-UHFFFAOYSA-N	424.541	5.331	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1	800570895	XYFOXJVNKMVGEP-LLVKDONJSA-N	413.783	5.216	30	20	HKED	
C#C[C@@H](NC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C)c1ccc(Cl)cc1F	805776721	VWAQRXCLSJZDNW-SUMWQHHRSA-N	407.942	5.444	30	20	HKED	
C#C[C@H](NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C)c1ccc(Cl)cc1	810161898	SIEUAPPKMJJGQS-NRFANRHFSA-N	417.896	5.397	30	20	HKED	
N#C[C@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1cc(C(F)(F)F)ccn1	813214150	TZSXUUQRSMREDI-UABRLCRWSA-N	416.399	5.858	30	20	HKED	
N#CC(CCOC(=O)/C=C/c1cnc2ccccc2n1)(c1ccccc1)c1ccccc1	912958634	WAPBYJDHJJVPSL-FOCLMDBBSA-N	419.484	5.086	30	20	HKED	
C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	915650583	MODITLULCRULCE-KRWDZBQOSA-N	420.965	5.865	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccc(F)cc2Cl)cc1	916051123	MSMGUULGIUPJSG-HXUWFJFHSA-N	408.860	5.542	30	20	HKED	
Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(C3CC3)C2=O)c1	916217615	RJCGVMGJTHHSCS-FQEVSTJZSA-N	421.566	5.043	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1	916627302	LZIJCFYNOYINTR-KRWDZBQOSA-N	400.425	5.556	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2ccccc2s1	916885771	BJCLLDSUIDJTSG-CQSZACIVSA-N	402.447	5.177	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc2sc3ccccc3c2s1	916908809	JHHOROHXBLZWHJ-GFCCVEGCSA-N	410.907	5.731	30	20	HKED	
Cc1cccc(C)c1OCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	917044328	SILJGZJLTBWOEI-AWEZNQCLSA-N	404.413	5.187	30	20	HKED	
Cc1cc(C)cc(OCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917044849	VLJQYOVSDBTALE-INIZCTEOSA-N	418.440	5.577	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccccc2C(F)(F)F)cs1	917531983	BOAOLHITWKOMPJ-UHFFFAOYSA-N	418.444	5.601	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	918156843	UVPPDVSRZGRIJP-BENRWUELSA-N	419.437	5.281	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CC3(OC)CCC3)CCC2)cc1	1789625723	RRKFCKYCENYBGO-UHFFFAOYSA-N	412.574	5.072	30	20	HKED	
Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)cc1	1790734113	CLYXYAAMQWYVNV-UHFFFAOYSA-N	423.516	5.323	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1	1823751887	BSULBPYZBPSQDS-SFHVURJKSA-N	420.981	5.159	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1cccc(Cl)c1C	11257054	CCJXVKJELNCRQC-UHFFFAOYSA-O	409.962	5.549	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSc2ccc(C(F)(F)F)cn2)n(C2CCCC2)c1C	12479539	SOAPNRHKZHFODT-UHFFFAOYSA-N	422.476	5.236	30	20	HKED	
Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C(C)(C)C#N)cc3)cs2)cc1	25840130	RUOXTDOAHHHBSG-UHFFFAOYSA-N	405.523	5.013	30	20	HKED	
C=CCn1c(SCc2nc(CC(C)C)no2)nnc1-c1ccc(Cl)cc1Cl	25990045	HLWNVOFHOKQEPW-UHFFFAOYSA-N	424.357	5.312	30	20	HKED	
CN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161505	OYFGFXLJSMZIJT-UHFFFAOYSA-N	403.457	5.135	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(COCc2ccco2)c1	56850055	IGEGPHKJAWZVOY-UHFFFAOYSA-N	408.473	5.033	30	20	HKED	
COc1cc(/C=C\C(=O)OCc2nc3ccccc3c3ccccc23)ccc1OCC#N	96876556	IQUBNSKUQUFDMW-QBFSEMIESA-N	424.456	5.056	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	195557410	MTZRFDPLUNFQOE-QGZVFWFLSA-N	402.404	5.292	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)ccc1OC1CCCC1	237251210	BQUMVGNBADZPCR-LJQANCHMSA-N	407.558	5.217	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNCc2cn(CCC#N)nc2-c2ccccc2)cc1	237641925	BEGOJUQOWGXVND-BVAGGSTKSA-N	414.553	5.030	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	303369677	SENQAJYTTZPXEP-NSHDSACASA-N	401.340	5.188	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1	303418197	XIRQKEHQURHKNY-GHTZIAJQSA-N	410.587	5.143	30	20	HKED	
C[C@@H](Nc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1Cl)c1ccccc1	303480581	KGEVPIMZYBXOAJ-QGZVFWFLSA-N	419.912	5.597	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c(Cl)c1	430362482	TZAUXECBMYMBFV-UHFFFAOYSA-N	419.893	5.897	30	20	HKED	
N#CC[C@H](CC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1ccccc1	431131311	AMEVMLAYGYSQIJ-UZLBHIALSA-N	415.306	5.339	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1	431769201	BESNARJSXYKUEM-KXBFYZLASA-N	400.320	5.244	30	20	HKED	
C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1nc2ccccc2n1C(F)F	431771447	WEBVQJNMEGSANR-WBVHZDCISA-N	411.456	5.227	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	432269866	JHHWSNGIXARZIB-UHFFFAOYSA-N	410.930	5.541	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1	432666757	KKMXATLJLIYMRY-NRFANRHFSA-N	404.445	5.570	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1OCC(F)(F)F	432972321	MZMOTIBQGDFQIO-SFHVURJKSA-N	405.420	5.493	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	433779148	HCWMKXIGYLWXPX-UHFFFAOYSA-N	416.428	5.364	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nc2cc(Cl)ccc2s1	435442258	KGUKRXHLXCYUDV-HNNXBMFYSA-N	420.881	5.367	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1	436346145	OGRQHXUSWZHYAW-DDUZABMNSA-N	401.482	5.284	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(OCc2cscn2)c1	438207496	BRFFLHKQNMJHRQ-VXKWHMMOSA-N	418.522	5.026	30	20	HKED	
Cc1cn2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)sc2n1	440711415	DXYPMAOKGJQENX-QGZVFWFLSA-N	406.898	5.265	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc(C(F)(F)F)cc1	441536838	BPAQVGLXTUNQOL-GGPKGHCWSA-N	410.480	5.171	30	20	HKED	
C=CCC[C@H](NC(=O)Cc1cc(F)cc2c1OCOC2)c1ccc(C(F)(F)F)cc1	441569255	ILXJLZITDHDXPS-IBGZPJMESA-N	423.406	5.077	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)Cc1ccc(OC)c(O)c1)c1ccc(C(F)(F)F)cc1	442287979	WONINMNSLZHIPM-GOSISDBHSA-N	422.447	5.269	30	20	HKED	
CSc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccn12	442675357	BJXIKTFADPEFMM-CQSZACIVSA-N	424.938	5.323	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC2CCC2)cc1)c1nc(-c2c(F)cccc2F)cs1	442808679	IGWZEATUQSXTPM-MRXNPFEDSA-N	410.445	5.510	30	20	HKED	
C=CCn1c(SCc2nc(C(F)(F)F)cs2)nnc1-c1ccccc1F	443426090	JBSKOWAGXXTQJA-UHFFFAOYSA-N	400.426	5.038	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1	445173717	NMMVUQXLVBDQIA-SQNIBIBYSA-N	415.603	5.131	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)C[C@@H](Cc3ccccc3)c3ccccc3)CC2)c1	460151591	QBGIWMYXMFJABV-RUZDIDTESA-N	424.544	5.345	30	20	HKED	
C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1Cc2ccccc2C[C@H]1C	460783106	XJNGMYCYDOTALG-VEXUSMLFSA-N	414.553	5.051	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	462554606	TZLNEVZVLFOJJH-BDJLRTHQSA-N	400.322	5.209	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(Cl)c3ccccc23)cc1OCCCC#N	462643446	QHLOAMHZITUFFN-QGZVFWFLSA-N	408.929	6.035	30	20	HKED	
CSc1cccc([C@H](NC(=O)Cc2ccc(C#N)cc2)c2cc(F)ccc2F)c1	464124138	XLFHSLRFQMTYQB-QHCPKHFHSA-N	408.473	5.007	30	20	HKED	
Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(O)n1	464292741	GHOBCOZERJDDRZ-UHFFFAOYSA-N	413.355	5.031	30	20	HKED	
C=CCOc1cc(OC)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1	464530126	ZBINRXSOELHBHU-IBGZPJMESA-N	404.491	5.182	30	20	HKED	
Cc1ccc2c(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c[nH]c2c1	465034081	YYQVKZGVSZIYII-UHFFFAOYSA-N	423.516	5.693	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	465428210	UUDPXUZQPIVFII-LJQANCHMSA-N	421.378	5.563	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1cccc2cccnc12	466378224	ZCEOCFPRBYTUGW-UHFFFAOYSA-N	413.864	5.829	30	20	HKED	
CN(Cc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccccc1	469146928	UMOBAHNWTISKIJ-UHFFFAOYSA-N	422.532	5.834	30	20	HKED	
C[C@H](O)C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1	469683574	MHDFGVIADIEEBQ-GHTZIAJQSA-N	415.493	5.027	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	472753060	PFFLYALCFFPWQJ-ZNLUXHQJSA-N	409.555	5.289	30	20	HKED	
Cc1cccc(Oc2ccc(Cl)cc2NC(=O)N(CCC#N)Cc2ccccn2)c1	473686979	ROTYBTCGWJGGIQ-UHFFFAOYSA-N	420.900	5.784	30	20	HKED	
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](CC#N)c2ccccc2)cc1	475253375	FUBGXCVNTPBQNI-RCZVLFRGSA-N	416.496	5.322	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1	475650325	MOWSUCOGXRFPIT-CQSZACIVSA-N	407.514	5.550	30	20	HKED	
C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)c(Cl)c1	476791489	NRDZYRDTVNQXHO-RWBZWWBESA-N	415.896	5.101	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2	476810058	XMSMURACJPIFSG-UHFFFAOYSA-N	407.510	5.301	30	20	HKED	
N#CC[C@@H](CC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccc1	476832052	QOJMEWGXVVPDGP-KKSFZXQISA-N	415.306	5.243	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCN1CCCCCC1	480592387	MSRGZZPORGAJCB-GOSISDBHSA-N	402.608	5.247	30	20	HKED	
O=C(N[C@H]1CCCC(F)(F)C1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	482309644	BXFKSCOTRWLNKC-RYUDHWBXSA-N	404.301	5.186	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21	483362262	YBODGWCBOLEYBM-KDOFPFPSSA-N	413.518	5.501	30	20	HKED	
C[C@H]1CCSCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	483716856	UBUCNKSEJGCTBA-HNNXBMFYSA-N	415.946	5.150	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccccc1	487372180	NKYMAICXEDCGFJ-LJQANCHMSA-N	410.315	5.024	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC12CCC(C(F)(F)F)(CC1)CC2	488311385	RTHMHIMJNVCLGJ-YCMKEVRSSA-N	411.493	5.715	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccn1	488926581	AMTWDNZRPULRRW-JOCHJYFZSA-N	412.518	5.242	30	20	HKED	
Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	491496499	VOLCKARDRIJZQM-HTAPYJJXSA-N	423.582	5.041	30	20	HKED	
CCCc1c(NC(=O)Nc2c(C)cc(OC)c(C)c2C)cnn1-c1cccc(C#N)c1	495052549	VTELWFWQAVBDOC-UHFFFAOYSA-N	417.513	5.274	30	20	HKED	
CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c2cnn(C(C)C)c2n1	496831235	NLMLGUPCEOOBIN-UHFFFAOYSA-N	421.570	5.590	30	20	HKED	
COc1ccc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2c1	497366399	SBBFZBYQZJZTBW-NRFANRHFSA-N	409.470	5.334	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c1	499314021	QKXBWGGVFYRMAR-LJQANCHMSA-N	403.309	5.218	30	20	HKED	
O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	500253919	ZHBOMWDSJAVMTE-NEPJUHHUSA-N	421.312	5.316	30	20	HKED	
COc1cc(C#N)ccc1CNc1cc(C(=O)N(C)c2ccccc2)ccc1Cl	500834249	AMNGJJLQTPCWKO-UHFFFAOYSA-N	405.885	5.109	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccco3)c3ccccc3C#N)o2)cc1	501017086	HFKDVBCVGZZYFP-UHFFFAOYSA-N	411.461	5.281	30	20	HKED	
CN(c1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CCCC1	502653453	INWCZTZBJUOHDB-UHFFFAOYSA-N	400.526	5.258	30	20	HKED	
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(CSC2CCCC2)c1	503155635	FZLIZSOIGDZWIP-JOCHJYFZSA-N	402.560	5.063	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1	503897504	MUDGEXKMYGBHMJ-UHFFFAOYSA-N	417.896	5.115	30	20	HKED	
CCc1nnc([C@@H](C)Sc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)o1	504563534	NQYONRCILBMHGQ-SNVBAGLBSA-N	408.405	5.339	30	20	HKED	
N#C[C@H](C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	505440123	MMKFKKOFVJGICP-UYAOXDASSA-N	422.937	5.848	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	505891980	TVJNKTJYAVZALW-UHFFFAOYSA-N	401.466	5.079	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4CCC(C)(C#N)CC4)cc3)sc2c1	506026933	JEFUXUUGIWEDFO-KRWDZBQOSA-N	418.566	5.224	30	20	HKED	
COc1cc([C@@H](C)NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1OC1CCCC1	506358119	UGRFIUGMXPVHIT-MRXNPFEDSA-N	424.516	5.182	30	20	HKED	
CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510024494	TXJJVCYCCZJEEE-FQEVSTJZSA-N	409.942	6.111	30	20	HKED	
COc1ccc(CN[C@@H](C)c2ccc(Br)cc2F)cc1OCCCC#N	513084571	WFJZZAKBMTZHQM-AWEZNQCLSA-N	421.310	5.130	30	20	HKED	
COc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1OCCC(C)C	513149254	UWYQACDZZYGFQI-MRXNPFEDSA-N	406.404	5.024	30	20	HKED	
COc1ccc(N(Cc2cccs2)C(=O)CSCc2ccc(C#N)cc2)cc1	514561138	GQBRZKXPPIDQFR-UHFFFAOYSA-N	408.548	5.095	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)cc2)nc1	514959463	VSCOWRICOGZEIY-VXNXHJTFSA-N	409.489	5.154	30	20	HKED	
Cc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C#N)c(C)c1C	518738818	AIANAMLIWLJXLN-CYBMUJFWSA-N	410.568	5.004	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c2[nH]c(C)c(C)c2c1	520198012	XPTPFRCQBHBWET-OAHLLOKOSA-N	406.555	5.809	30	20	HKED	
C=CC1CCN(C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)CC1	520328798	JGXZPMAOZDYNHG-UHFFFAOYSA-N	418.537	5.209	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)c1ccc(Cl)c(Cl)c1	521887147	CTKQECBIABDHQN-OAHLLOKOSA-N	410.207	5.071	30	20	HKED	
CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1)C(C)C	523983584	MVHNQVNDFZNDCL-QGZVFWFLSA-N	424.570	5.482	30	20	HKED	
CCCc1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	524388647	QLNXIBPGXBKCGF-UHFFFAOYSA-N	405.523	5.415	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(C(F)(F)F)c(Br)c3)o2)c1	526047471	VAHFNFHCLCAJJD-UHFFFAOYSA-N	423.192	5.002	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(O)c2ccccc12	527041653	KSEHNZBZYYCHFE-UHFFFAOYSA-N	411.436	5.107	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12	533117759	JXLBKBYPEUYQGH-UHFFFAOYSA-N	409.917	5.138	30	20	HKED	
N#CCSc1ccccc1NC(=O)CN1CCCCC[C@@H]1/C=C\c1cccs1	542132053	HGDBHKKTKQLXDS-YUIUBULTSA-N	411.596	5.260	30	20	HKED	
CC(C)c1ccc(-c2ncc(C[S@](=O)CCCC3(C#N)CCOCC3)s2)cc1	543786575	GVHRBHVUKLVGDB-MUUNZHRXSA-N	416.612	5.283	30	20	HKED	
Cc1onc(-c2ccccn2)c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543857209	YSEJAPOTMQDTJY-MRXNPFEDSA-N	408.461	5.075	30	20	HKED	
Cc1ccc(F)cc1C(=O)C(=O)N(C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	544037205	YZYYRVSCPURKBN-INIZCTEOSA-N	421.312	5.098	30	20	HKED	
CO[C@@H](c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1)c1ccccc1Cl	546518290	WDHLTUBRTBJXMK-SSSWZJSRSA-N	418.884	5.498	30	20	HKED	
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1	548611550	QPERQHRFEIAFCJ-NRFANRHFSA-N	411.839	5.137	30	20	HKED	
N#Cc1ccccc1-c1ccc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1	553126952	ZBAPLQSUMBBCRJ-UHFFFAOYSA-N	416.471	5.598	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2)cc1	554179858	QNTSGKVOHAKARB-XXBNENTESA-N	403.526	5.116	30	20	HKED	
N#CCCC[C@H](N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1	556201757	WFXAWMOCYVRFIL-UNMCSNQZSA-N	422.370	6.333	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)CC1	558594186	HSIRWOIWTGDGKT-UHFFFAOYSA-N	401.897	5.100	30	20	HKED	
N#CCCCn1cc(-c2nc(C3(c4ccccc4)CCOCC3)no2)c2ccccc21	569171643	KNBIRAKLCFNLNF-UHFFFAOYSA-N	412.493	5.092	30	20	HKED	
COc1cc(CN[C@H](c2ccc(OC)c(OC)c2)c2ccccc2Cl)ccc1C#N	570950021	PDDSRLCDCPITEF-XMMPIXPASA-N	422.912	5.117	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F	576625893	MTMKPBDSKLVNHS-RDJZCZTQSA-N	421.488	5.481	30	20	HKED	
CN(Cc1cccc(NCc2ccc(C#N)cc2C(F)(F)F)c1)Cc1cscn1	582574402	DXCRCDNDQKCUSL-UHFFFAOYSA-N	416.472	5.278	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCSc4c(F)cccc43)cc2)ccn1	582755625	DOUWAYWXULHEOS-FQEVSTJZSA-N	420.469	5.243	30	20	HKED	
CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc(C)cs3)c2)cc1	589830412	IERFDSNGTYDAHE-QFIPXVFZSA-N	418.518	5.042	30	20	HKED	
CN(Cc1ccccc1NCc1cccc(F)c1C#N)C(=O)c1cc2ccccc2o1	589970602	UEJDCGNGNXJYTG-UHFFFAOYSA-N	413.452	5.328	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	592825069	MITNTJLTEYHBIF-GOEBONIOSA-N	405.995	5.236	30	20	HKED	
Cc1cc(C)c2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)sc2n1	602228840	HHCYVMKCKBSAKJ-UHFFFAOYSA-N	404.520	5.084	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1	603738954	MMLAGWBWBNVEIH-MGPUTAFESA-N	401.466	5.342	30	20	HKED	
CCCNC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	607434102	XXBOITLRYYKLKB-GOSISDBHSA-N	423.925	5.093	30	20	HKED	
CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(COc2ccccc2C#N)o1	607834827	DXNYEYSZVCXUNG-UHFFFAOYSA-N	408.479	5.273	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3occc3COc3ccccc3)cc2)c1	609064809	JDWCJELJIOAQJT-UHFFFAOYSA-N	424.456	5.562	30	20	HKED	
N#Cc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccccc1F	609092314	LZXCMPWRNLMWCJ-UHFFFAOYSA-N	402.450	5.988	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	609376687	GWTWELRVJNMGKU-ZDUSSCGKSA-N	411.527	5.762	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc2cc(Br)ccc2o1	609378707	DJVHJNAERZDTKR-UHFFFAOYSA-N	401.285	5.453	30	20	HKED	
C[C@](C#N)(NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1	609638142	HOOVIYWNAUONPP-HXUWFJFHSA-N	421.488	5.350	30	20	HKED	
N#CC1(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCOCC1	610198388	XKUUTZYDWKMADX-UHFFFAOYSA-N	421.349	5.088	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1c(Cl)cc(C#N)cc1Cl	611567225	HHRCEFYFSNHLQM-JTQLQIEISA-N	401.215	5.245	30	20	HKED	
Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n[nH]2)o1	613403064	BJPPUPWPVPOIJH-LLVKDONJSA-N	416.384	5.097	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1nccc2ccccc12	616724232	ZULBKSGKKIDCGI-FQEVSTJZSA-N	417.490	5.668	30	20	HKED	
CCC(CC)n1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C	678970345	QQTWYIWNIRWXCM-AWEZNQCLSA-N	420.460	5.671	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=S)NCc1cccc(C(F)(F)F)c1	726484106	CZPOAWLLCZUIGR-UHFFFAOYSA-N	405.489	5.110	30	20	HKED	
N#C[C@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1nc2cc(F)ccc2s1	730422422	XPOMQASNWFIIRN-CYBMUJFWSA-N	407.297	5.941	30	20	HKED	
N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc2cc(F)ccc2s1	730695518	JBWSKWMARZBXMC-GFCCVEGCSA-N	415.902	5.508	30	20	HKED	
CC(C)Oc1ccc(C(=O)/C=C\c2ccc(OCc3occc3C(=O)O)cc2)cc1	730951026	IYLGWDFCHCPWAW-XGICHPGQSA-N	406.434	5.240	30	20	HKED	
N#C[C@@H](C(=O)C[C@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	731136909	WPUVHKDYKOKRBP-PBHICJAKSA-N	414.452	6.002	30	20	HKED	
CSc1ccc2cc(CNc3ccccc3S[C@@H](C)CC#N)c(Cl)nc2c1	731352483	ZTIPEHRGZUXKQU-AWEZNQCLSA-N	413.999	6.616	30	20	HKED	
N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cc(Cl)nc(N2CCCC2)c1	732933884	ZXSNFGXHLVPCPE-UHFFFAOYSA-N	416.912	5.054	30	20	HKED	
CCN(C(=O)c1ccccc1OCC#N)[C@H](c1ccc(C(C)C)cc1)c1cccnc1	733109966	QSFAHOFFGGBJGD-RUZDIDTESA-N	413.521	5.359	30	20	HKED	
C=CC[C@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccncc1	734510180	SMIXUIUEBQORSA-IRXDYDNUSA-N	404.354	5.361	30	20	HKED	
FC(F)(F)c1cc(=NN=Cc2ccccc2-c2ccccc2)nc(-c2ccncc2)[nH]1	735979043	VDOQNBOJMIOYDH-UHFFFAOYSA-N	419.410	5.092	30	20	HKED	
C#Cc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)c1	743083594	AIDPVTAEPYUMQQ-XMMPIXPASA-N	412.489	5.234	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	743449939	WLYYTUTWYDKKPU-AWEZNQCLSA-N	416.289	5.078	30	20	HKED	
CC(=O)N(C)c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	744774536	OANXFPPPYQHLGP-UHFFFAOYSA-N	419.868	5.239	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2s1	744935831	GDMGZYYKONTIFA-PGRDOPGGSA-N	418.905	5.946	30	20	HKED	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	748833476	CNBQOFOHYRGBHR-JHJVBQTASA-N	406.454	5.665	30	20	HKED	
Cc1ccc(-c2nc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cs2)o1	764752820	WMSYTFUWCNTUJS-UHFFFAOYSA-N	423.281	5.039	30	20	HKED	
C=CCn1c(COc2ccccc2)nn(CN(C)Cc2cc3ccccc3o2)c1=S	765055889	QSLCITJBPLJHAD-UHFFFAOYSA-N	420.538	5.015	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(OCc2ccccc2F)cc1	767882772	LCYGOLRPWXLIHP-QGZVFWFLSA-N	419.456	5.017	30	20	HKED	
N#C[C@@H](C(=O)C1(CCOCc2ccccc2)CC1)c1nc2cc(Cl)ccc2s1	770840190	BYYMAWMOJIQBQB-KRWDZBQOSA-N	410.926	5.513	30	20	HKED	
C=CCC[C@@H](NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1	772627678	WHBKBPHSBVCIJQ-XVAXZDLZSA-N	415.578	5.171	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c1	772983415	KDZHRLKSGXVWJG-IIBYNOLFSA-N	408.933	5.366	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cccc(OC(F)(F)F)c2)ccc1OC	772985671	LWZDZZCGTPRPNQ-RHSMWYFYSA-N	408.420	5.126	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC(c2cn[nH]c2)CC1)c1ccc(C(F)(F)F)cc1	774764706	ZCRXPVYXYNABQT-IBGZPJMESA-N	406.452	5.025	30	20	HKED	
C=C(C)[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)c(F)c1	776183279	SKFPNYKJRKPZFY-QFIPXVFZSA-N	412.436	5.293	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1coc(-c2ccccc2Cl)n1	776292705	NRFCRPHSGXYEFC-UHFFFAOYSA-N	403.221	5.138	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccc(C4(C#N)CC4)cc3)ccc21	776897186	GCFRMHHKXVDFCD-UHFFFAOYSA-N	417.509	5.182	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	780164982	QKFSGCJZHADVMB-JTQLQIEISA-N	402.294	5.267	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	780166603	RVWWYCLGBQXTPW-GFCCVEGCSA-N	417.412	5.372	30	20	HKED	
C[C@H](NCc1cccc(SC(=O)N(C)C)c1)c1ccc(-c2cccc(C#N)c2)cc1	782525582	ZTSVJBWMHHQNHZ-SFHVURJKSA-N	415.562	5.850	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	782612003	GWTLZDIDQOTGFA-QZTJIDSGSA-N	410.477	5.399	30	20	HKED	
C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(OCC#N)cc1	802321480	XMIXIVJZGCEEJG-ONVNLJNZSA-N	423.988	5.507	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C12CC(C(F)(F)F)(C1)C2	803754880	UXNGWFFHENACFC-UHFFFAOYSA-N	419.287	5.415	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1	806665366	APAYWLDBDKEYMQ-CQSZACIVSA-N	411.811	5.361	30	20	HKED	
C[C@]1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)OCCc2sccc21	810158048	HCFQNNHFRIKWHX-HYBUGGRVSA-N	417.534	5.013	30	20	HKED	
O=C(/C=C/c1nc2ccc(Br)cc2s1)c1cc([N+](=O)[O-])ccc1F	814190526	HRXDGIDCYRKWPN-AATRIKPKSA-N	407.220	5.002	30	20	HKED	
Cc1c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)sc2ccc(C#N)cc12	815769893	VLLSKGQEGHGSSE-FQEVSTJZSA-N	416.502	5.050	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(N(C)C)cc4)CC3)n2)cc1	815911184	UJFZVJVUZMTNSW-HXUWFJFHSA-N	401.535	5.093	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1NC(=O)c1cccs1	896120318	QJYGLOBQNJQMJF-UHFFFAOYSA-N	416.955	5.544	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)cc1	915353407	SLCDWHHZPSHOMW-RUZDIDTESA-N	411.505	5.547	30	20	HKED	
Fc1ccc(CNC(=S)Nc2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1	916001827	ZBMRGCQFHXTZAI-UHFFFAOYSA-N	412.330	5.230	30	20	HKED	
COC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	916056725	GUSWECJLUPWSKT-HXUWFJFHSA-N	419.868	5.426	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccs1	916137339	VKVXDMFEZKLMFJ-TWGQIWQCSA-N	402.302	6.203	30	20	HKED	
CC(C)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1	916917581	HSQZHUUKFJTHHW-JTSKRJEESA-N	400.478	5.078	30	20	HKED	
N#C[C@H](C(=O)CCc1cccc(Br)c1)c1nc(-c2ccccc2)cs1	917025404	JDIRLFPWDKUSBO-QGZVFWFLSA-N	411.324	5.382	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(-c3ccc(Cl)cc3)s2)ccc1OCC#N	917603250	NHMQWTNGXVKVHF-WAPJZHGLSA-N	409.894	5.876	30	20	HKED	
N#C[C@H](C(=O)Cc1cc2ccccc2o1)C(=O)Nc1ccccc1Oc1ccccc1	920108579	HHFFNARDLGZUOQ-HXUWFJFHSA-N	410.429	5.115	30	20	HKED	
Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	920141939	NVAMVDRGBDATIO-HXUWFJFHSA-N	401.491	5.026	30	20	HKED	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(F)c2)cs1	920386110	QECATAQLOWSILE-UHFFFAOYSA-N	422.407	5.432	30	20	HKED	
C#CCOc1ccc(Br)cc1CNCc1nc2cc(Cl)ccc2s1	920415093	SXFZDPAQXQQYQR-UHFFFAOYSA-N	421.747	5.014	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)n(C)c3C)cc2)CCC1	1789974640	DKIFHIMOAZVYTE-QFIPXVFZSA-N	419.569	5.158	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)cc2)CCC1	1791182054	BTUOYLLMLZEVFS-UHFFFAOYSA-N	408.929	5.082	30	20	HKED	
C=CCSCC(=O)NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1	1791979615	CONHHLRYNINMPU-UHFFFAOYSA-N	412.599	5.010	30	20	HKED	
C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)C2	1792573158	BIAUETQXSJGYRV-OGXDUAGGSA-N	414.634	5.224	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC)cc2)[nH]n1	1819307766	NFYJPWMQUMOOIW-IFMALSPDSA-N	420.557	5.046	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1	1827987607	UCLPQNUVLAZJIF-SFHVURJKSA-N	420.981	5.159	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1	1828828472	KQNFAVCMXDXWCS-SMIHKQSGSA-N	412.618	5.121	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832404532	NFWJGIKYXZZKRU-UMFSSWHCSA-N	412.618	5.121	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)c1	22729788	PXIJIXKBKZGADN-UHFFFAOYSA-O	415.582	5.439	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1Cl	47565605	MUQKYDXSQRXHIA-GMAHTHKFSA-N	416.912	5.759	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)s2)o1	51656389	TZACHXJOJIYDAJ-GFCCVEGCSA-N	412.421	5.255	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	55823982	LRTYGPGEBNPMCB-PKOBYXMFSA-N	416.443	5.639	30	20	HKED	
Cc1sc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c(C#N)c1C	61112204	DYQNOOGAOWDEPI-UHFFFAOYSA-N	422.362	5.848	30	20	HKED	
COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	63641521	PESODLZPWCSSBH-QGZVFWFLSA-N	401.466	5.107	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCSc2ccc(C)c(C)c2)cc1	65870143	CBXFASGTICSPEG-UHFFFAOYSA-N	408.567	5.239	30	20	HKED	
N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@@H](c1cccc(F)c1)c1ccccn1	301854404	BNXXEKVULJWUPY-QFIPXVFZSA-N	420.394	5.443	30	20	HKED	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	409454570	CGPKFKUDZQYLLI-UHFFFAOYSA-N	424.504	5.221	30	20	HKED	
C=CCCc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1	410387777	XNKQVSAVUNKFCX-UHFFFAOYSA-N	412.533	5.449	30	20	HKED	
CC(C)Cn1ncc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1-c1ccccc1	429118575	YIQMBDHQNUJZFZ-QGZVFWFLSA-N	412.415	5.110	30	20	HKED	
COCCCOc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	430646294	CQFJZBAAQXABKQ-UHFFFAOYSA-N	418.518	5.377	30	20	HKED	
C=CCn1c(Sc2nc3cc(Cl)cc(Cl)c3o2)nnc1-c1cccnc1	433024296	CGTCQGDYDNQBJW-UHFFFAOYSA-N	404.282	5.125	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	434118322	HQBKZQJAJFDONP-UVQFAXKASA-N	422.516	6.026	30	20	HKED	
Cc1sc(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)c(C#N)c1C	435668403	YKNDAOANUACPFR-UHFFFAOYSA-N	406.898	5.481	30	20	HKED	
O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C1CCC(C(F)(F)F)CC1	436019975	DHJXBZSXWFUYKN-XIVSLSHWSA-N	419.312	5.376	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12	439215659	NHBPWSMHSGVZOA-IGKIAQTJSA-N	408.501	5.288	30	20	HKED	
CCCc1c(NC(=O)Nc2cccc(COC(C)C)c2)cnn1-c1cccc(C#N)c1	439239849	SGBRKEPWLIQQFF-UHFFFAOYSA-N	417.513	5.265	30	20	HKED	
CCCc1c(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cnn1-c1cccc(C#N)c1	439670917	GNXYUQGAZROAHJ-MRXNPFEDSA-N	405.477	5.060	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	440331117	ZOBIYSQSTISXIA-WIYYLYMNSA-N	421.566	5.082	30	20	HKED	
C=CCC[C@@H](NC(=O)CCc1c(C)noc1Cl)c1ccc(C(F)(F)F)cc1	441568435	QTRRTFQVAMFPMW-MRXNPFEDSA-N	400.828	5.412	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1F	442671850	MKQHQKLUGWQGIV-QGZVFWFLSA-N	421.497	5.424	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(OC)CC1	460793230	NGELBYPKKARTPJ-RDPSFJRHSA-N	412.578	5.006	30	20	HKED	
CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1	461303245	VXMXDXSFYYXHBI-OALUTQOASA-N	423.611	5.037	30	20	HKED	
N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	462918337	HLMILNOKDGTCKH-FYYLOGMGSA-N	414.530	5.360	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)CCc1cccc(F)c1	463103613	FDRMCWMZKOWXCS-INIZCTEOSA-N	403.457	5.401	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1SCCc2sccc21	463484084	KTIAZWLFPPHCOJ-JOCHJYFZSA-N	420.559	5.476	30	20	HKED	
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C2	463749267	MFGQLNPSYWDQGH-GOSISDBHSA-N	420.456	5.270	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1	464941984	VKDQXPUSULCOCY-FPOVZHCZSA-N	419.912	5.226	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl	469107896	VWOKLGXKCDNYSQ-UHFFFAOYSA-N	416.868	5.202	30	20	HKED	
Cc1c(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)ccc(C(F)(F)F)c1F	470584261	QYDBQFHXQRRFMK-SSDOTTSWSA-N	400.319	5.119	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1	471273029	NNOMPVNYFIUWDR-KRWDZBQOSA-N	416.550	5.319	30	20	HKED	
COC1CCC(C)(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1	471287282	MWWDFBDIVJYJDS-UHFFFAOYSA-N	421.541	5.163	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(C(F)(F)F)o1	471731079	YLEPCNOGCGRCHQ-UHFFFAOYSA-N	401.344	5.227	30	20	HKED	
CC[C@H](CC#N)NC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C	474998981	OCIVPCMRCSFUJX-GOSISDBHSA-N	407.493	5.546	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](CC#N)c1ccccc1	475585612	WCBOHUJFEUMKGA-QHCPKHFHSA-N	409.489	5.472	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1	476597402	LXMCZKAARLGVLM-UHFFFAOYSA-N	400.444	5.526	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C1CC1	477246100	ZXUWEWOAMCHPMU-OAHLLOKOSA-N	418.472	5.787	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)N(C)c3cc(Cl)ccc3C#N)cs2)cc1	479576574	MESVAKNQHWBNOX-UHFFFAOYSA-N	411.914	5.401	30	20	HKED	
N#Cc1ccc(NCc2ccc3ncccc3c2)nc1NCc1ccc2ncccc2c1	480583304	RFCNKPQNKRCPFX-UHFFFAOYSA-N	416.488	5.274	30	20	HKED	
COc1cc(Cl)c(Br)cc1C(=O)N[C@@H](CCCC#N)c1ccccc1	487206571	GCUGQZIYCDBTLJ-KRWDZBQOSA-N	421.722	5.276	30	20	HKED	
Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(C#N)s4)cc3s2)s1	487474066	MZRJEMKKYXQMRU-UHFFFAOYSA-N	424.532	5.104	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1	505246458	GQHZUVCYEVUONL-KRWDZBQOSA-N	402.560	5.250	30	20	HKED	
C=CCc1cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc(OC)c1OC	505753986	BKPMQPLSCDPFTL-UHFFFAOYSA-N	424.884	5.525	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1	510668155	REMXSAGYJQEUBF-UHFFFAOYSA-N	408.461	5.422	30	20	HKED	
Cc1sc2ncnc(Sc3ccccc3C(=O)NCC(C)(C)CCC#N)c2c1C	515324522	RNFMVCPZMBFPOQ-UHFFFAOYSA-N	424.595	5.519	30	20	HKED	
Cc1nc(SCC(=O)Nc2c(F)cc(F)cc2-c2ccccc2)c(C#N)c(C)c1C	516340525	OANNUMQUFMBBMB-UHFFFAOYSA-N	423.488	5.555	30	20	HKED	
CC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1OC(F)F	517530332	QUMVUMVBLFDJHS-ZBFHGGJFSA-N	419.497	5.955	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1	518532219	DBIWKPICZDZZAK-UHFFFAOYSA-N	411.571	5.027	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1Cc1ccccc1	518654639	LUCGYOJXLNMURG-QGZVFWFLSA-N	422.579	5.056	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)c(C)c1	518661662	FHQHPQKNWOXAPI-HNNXBMFYSA-N	421.591	6.239	30	20	HKED	
Cc1cccc(N2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1C	518751057	BTMAMQHHAQAOAY-SFHVURJKSA-N	408.571	5.052	30	20	HKED	
CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	518755655	LRCXKRJLGNQOKW-INIZCTEOSA-N	401.963	6.177	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CCC(=Cc4cccc(F)c4)CC3)o2)cc1	524131746	JONQHSNMTTWUMF-UHFFFAOYSA-N	416.452	5.189	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F	525032003	HUMIQJWQNISTAA-RBBKRZOGSA-N	418.443	5.466	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)CC(=O)N(C)C2(C#N)CCCCC2)cc1	525125532	VGGIOIJVDUKUBO-FQEVSTJZSA-N	419.569	5.040	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1c(F)cccc1Cl	527505130	WJMKSZVGWXVGIH-CYBMUJFWSA-N	408.951	5.745	30	20	HKED	
COc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1-c1ccccn1	533646632	DKHGPVWUNVRDKP-LJQANCHMSA-N	412.276	5.059	30	20	HKED	
O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	537720931	QMMDOOOPXDGYQM-UHFFFAOYSA-N	418.259	5.144	30	20	HKED	
Cc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)ccc1C(=O)NC(C)C	540854165	NQUKMOPZPMNEDI-UHFFFAOYSA-N	413.477	5.050	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	543886486	RCXXZBIBWNTNQI-JLTOFOAXSA-N	423.879	5.151	30	20	HKED	
O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	543922137	RSSQYNSGSIPVFB-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
N#C[C@H](C(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)c1ccncn1	545446458	KIMLIXUHWOTLNB-INIZCTEOSA-N	417.387	5.276	30	20	HKED	
Cc1ccc(C(=O)CCCCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	546791941	VBNSSKLGLDEXOD-LJQANCHMSA-N	403.309	5.426	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1csc(-c2ccc(C)cc2)n1	553116362	URDGDIPGGMOIDU-UHFFFAOYSA-N	408.571	5.043	30	20	HKED	
CC(C)COC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccco1	553320046	NWXDKHMBLKBKJV-AEFFLSMTSA-N	401.532	5.209	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1OCCc1ccccc1	554380592	KAHZJJWJUOUBNQ-UHFFFAOYSA-N	420.509	5.004	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1F	554950249	YAAKBQVWTTXSCR-GFCCVEGCSA-N	412.408	5.256	30	20	HKED	
CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1)C(C)C	558184303	XHKSXTGMERIMJY-GOSISDBHSA-N	411.958	5.670	30	20	HKED	
C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(c2nc3ccccc3s2)CC1	558994159	MKYYMNSPLATTDF-UHFFFAOYSA-N	405.527	5.108	30	20	HKED	
N#CCCC[C@@H](NCc1ncc(-c2cccc(Br)c2)[nH]1)c1ccccc1	560563585	ATVILTMCXHHSGP-LJQANCHMSA-N	409.331	5.364	30	20	HKED	
CC(C)(NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cc(C(F)(F)F)on1	561721253	KZCYLKNQHFSDMY-UHFFFAOYSA-N	415.371	5.022	30	20	HKED	
Cc1ccccc1[C@@H]1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1	567479661	FRNMWGNZRSVHSO-LJQANCHMSA-N	421.972	5.143	30	20	HKED	
N#Cc1ccc(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)c(C(F)(F)F)c1	578372864	IJYOQCMDCTWAHU-GDLZYMKVSA-N	420.500	5.771	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cc2)ccn1	578822305	BHNAOEMGLKQQLX-OAQYLSRUSA-N	402.454	5.488	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)Nc2ccc(Cl)cc2OCC(F)F)c1	579393878	RCNKIKCFRMUVIB-UHFFFAOYSA-N	408.832	5.043	30	20	HKED	
C[C@H](NC(=O)CCCCCC#N)c1nc(-c2ccc(Br)cc2)cs1	588161665	GVLUIYRLDBQLIN-ZDUSSCGKSA-N	406.349	5.224	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[nH]c2c1C(=O)CC(C)(C)C2	596104019	NXQJRWGMPXFABC-UHFFFAOYSA-N	413.477	5.395	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3Cl)cn2)c1	603831133	MIMABYFPFQXUHK-NRFANRHFSA-N	418.884	5.768	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)nnc1C1CC1	607757724	YYLIKVQPMMNOBU-MRXNPFEDSA-N	405.523	5.497	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1	609082541	QDDVUBWPPCLCRV-INIZCTEOSA-N	410.424	5.052	30	20	HKED	
CCC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccn1	609207353	RVVLAURBPYVDJA-XMMPIXPASA-N	414.509	5.390	30	20	HKED	
CCN(CCC(F)(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	609207600	HWBFRWJFHRFSLV-UHFFFAOYSA-N	405.420	5.252	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(NC4CCCCC4)cc3)cc2)nc1	609516644	AZTPCVRSEOKQCE-UHFFFAOYSA-N	412.493	5.742	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCCCCCN3CCCCC3)cc2)c1	609555951	NGAWQOQIKBAIQL-UHFFFAOYSA-N	406.530	5.128	30	20	HKED	
C=CCCCN(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1	609935876	XNMIDBVAKGFCPS-UHFFFAOYSA-N	421.856	5.287	30	20	HKED	
C[C@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)c1cccc(C#N)c1	610362591	SNSUHIZADUTJHV-HNNXBMFYSA-N	418.543	6.149	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CCC(F)(F)F)cc3)cn2)cc1	611029345	HKTOUEFPSRZZIX-UHFFFAOYSA-N	411.383	5.493	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1-c1ccccn1	611109096	ZRFXUTZKUFSMSV-UHFFFAOYSA-N	422.444	5.068	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	613404478	OCPGOHAKFIZYMZ-MRXNPFEDSA-N	411.408	5.596	30	20	HKED	
C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(OCc2cn3ccccc3n2)c1	618807791	WRHUOJIKRWUPJW-CJAUYULYSA-N	408.505	5.123	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](COCC)C1	670230078	WWKUWEXFKODIIK-QGZVFWFLSA-N	421.010	5.053	30	20	HKED	
N#C[C@@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nccc2ccccc12	682995234	RRBYRAFAYFLRAN-QGZVFWFLSA-N	423.419	5.867	30	20	HKED	
COc1ccc2[nH]cc(C3=CCN(C(=S)Nc4ccc(C#N)c(Cl)c4)CC3)c2c1	726460901	PWJBFOQYPLMORL-UHFFFAOYSA-N	422.941	5.188	30	20	HKED	
CCc1cccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)c1	726801365	IASVSCNYPQEEBO-HKWRFOASSA-N	408.548	5.337	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)c3ccccc3OCC#N)cc2Cl)n1	726926959	AQDNJDKKMHDIEI-UHFFFAOYSA-N	415.927	5.411	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1	727606980	KKHIMRQBHLBIGX-UHFFFAOYSA-N	420.534	5.003	30	20	HKED	
COc1ccc(C[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2ccc(OC)cc2)cc1	728713166	QCNWJYAZTZLGMX-SIBVEZHUSA-N	416.521	5.068	30	20	HKED	
Cc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	728764728	FJFBGKMSUOTGGM-HNNXBMFYSA-N	402.441	5.778	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12	729888528	HFKLRFLTLZOARV-OQXHQPCCSA-N	412.489	5.378	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(C)c(Cl)c2)ccc1OC	733627285	IAUKKGPHZMRKJV-HNNXBMFYSA-N	422.312	5.313	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c1	733772051	XYUVKUDQSUDFGR-HXUWFJFHSA-N	404.510	5.405	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)c1	733774949	UDUBLLZKENEXLG-LJQANCHMSA-N	420.534	5.343	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1)C1CC1	734304730	USFJFALDGFCKTC-DHZHZOJOSA-N	423.563	5.295	30	20	HKED	
CCC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(Cl)s1	735977129	WHLJUNLDUYBCER-UHFFFAOYSA-N	411.840	5.499	30	20	HKED	
C=CCN(C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)C(C)C	737025697	CJWAJDINTPFNOM-UHFFFAOYSA-N	405.498	5.133	30	20	HKED	
FC(F)Oc1ccc(NCc2cccc(OCC(F)(F)F)c2)c(OC(F)F)c1	742261648	ONZDOCXRRYJPRD-UHFFFAOYSA-N	413.289	5.443	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1c(Cl)nc2ccccn12	743445404	SOWVNPKFBYGVNS-UHFFFAOYSA-N	409.824	5.452	30	20	HKED	
Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1nc(C(C)C)ncc1Cl	743608967	VBHISXXECMXIDO-UHFFFAOYSA-N	409.342	5.092	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)c1	745820628	LOFAIRBJJNDGCE-XUZZJYLKSA-N	405.542	5.421	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc(Br)c1O	745989957	IEINGUVMBMNNKI-BAQGIRSFSA-N	424.294	5.512	30	20	HKED	
N#CCCn1ccc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)n1	746281464	DZZVVYYHWIGDLD-UHFFFAOYSA-N	420.472	5.296	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21	748417165	YIICWTVUCZINOF-MRXNPFEDSA-N	414.486	5.242	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1nc2cc(Cl)ccc2n1C	749158443	OMJRALGRNHLOSX-UHFFFAOYSA-N	418.810	5.025	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)s1	750683333	BMIJKLAJIFXANC-SCZZXKLOSA-N	401.702	5.159	30	20	HKED	
CN(CCc1cccc2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	750689473	HXFULGBEMFKIFN-HHHXNRCGSA-N	419.528	6.202	30	20	HKED	
CC[C@@H](C)c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	756223852	HHWJLAYBYCNAHX-DYVFJYSZSA-N	405.523	5.279	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(CC)Cc2cccc(Cl)c2)c1=S	764902611	OKYLESUNGNOIDG-UHFFFAOYSA-N	413.978	5.185	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H]2c2ccc(C)c(C)c2)c1=S	764913674	FSIZPZBKQOOMBL-NRFANRHFSA-N	405.571	5.074	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1	765612261	LEYRXYAPIXDFQH-GOSISDBHSA-N	420.494	5.277	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccncc1	768075598	APKSTIPREJAHEI-IRLDBZIGSA-N	406.917	5.030	30	20	HKED	
C#CC[C@@H](N[C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)c1ccccc1	773113638	DKJBQUDCYVLVKS-LAUBAEHRSA-N	420.578	5.475	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(F)(F)F	782187531	CHUBBYFIDWYCLU-KXFIGUGUSA-N	415.751	5.094	30	20	HKED	
COc1ccc2c(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc(=O)oc2c1	782232479	UMBHKXDBAVPFHI-QGZVFWFLSA-N	410.473	5.191	30	20	HKED	
C[C@@H](NC(=O)/C=C\c1cnc2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	782485860	NFIVJDOEUCLNTD-SWNWVQGVSA-N	404.473	5.059	30	20	HKED	
N#Cc1ccc(CN[C@H](CCCc2ccc(Br)cc2)c2ccccc2)nc1	783294833	WYLJWDPEZDCUMM-HSZRJFAPSA-N	420.354	5.570	30	20	HKED	
Cc1cc(Br)cc(NCc2ccc(C#N)cc2)c1NC(=O)OC(C)(C)C	788840202	IZGNOPNMCAKTMC-UHFFFAOYSA-N	416.319	5.588	30	20	HKED	
C=C(Cl)COc1ccc([C@@H](C)N[C@H](c2cncc(Br)c2)C2CC2)cc1	793574068	YHLJJAXOKWLZPM-VLIAUNLRSA-N	421.766	5.777	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccncc2)cc1F)c1nc(Br)ccc1F	794973673	XQMAJPTVHHIDSM-HWKANZROSA-N	401.210	5.080	30	20	HKED	
N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)cc1	801776834	KINVZYHXYPGEAQ-UHFFFAOYSA-N	400.526	5.260	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)cc(Cl)n3)cn2)cc1	810333591	GODIFVDRMYIIOW-UHFFFAOYSA-N	418.762	5.065	30	20	HKED	
CSc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)s1	814776254	PRKFTRRQTUZUDL-UHFFFAOYSA-N	418.613	5.243	30	20	HKED	
Cc1nc(C)c2c(C)c(C=NNc3nc(Cl)c(Cl)cc3Cl)sc2n1	874066601	JBOQWJHJPCZZLI-UHFFFAOYSA-N	400.722	5.418	30	20	HKED	
O=c1cc(C(F)(F)F)c2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2o1	916616971	CDLNJJGMTHWFEA-UHFFFAOYSA-N	410.216	5.086	30	20	HKED	
N#C[C@H](C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2s1	916627443	VLHLBTVZZIRAKF-GCJKJVERSA-N	400.528	6.006	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)cc1	916908879	GBQGCBIYOFMXME-HQWZXOHUSA-N	420.818	5.282	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccccc3)s2)cc1	916951514	YQWSXYIEQQYGSO-DNVCBOLYSA-N	403.507	5.285	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)s3)n2)cc1	920108113	ACJLTKLALISJAC-CYBMUJFWSA-N	415.927	5.049	30	20	HKED	
CSc1nc(O)c(C(=O)O[C@@H](c2csc3ccccc23)C(F)(F)F)cc1C#N	1527949460	UKSWJUCNXGVDOI-AWEZNQCLSA-N	424.425	5.056	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1	1791247678	FXIGIPRIPVONSL-QGZVFWFLSA-N	402.494	5.393	30	20	HKED	
C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1	1791254471	QPNOJIBVGLMQES-KRWDZBQOSA-N	415.537	5.436	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1	1792039788	OAJUQNDGVHKINA-JOCHJYFZSA-N	406.570	5.469	30	20	HKED	
CC(C)CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1	1792122835	SETWEHRNSMQRAO-SFHVURJKSA-N	403.526	5.107	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3CCSCC3)cc2)CCC1	1792353687	MTNHVOUNJKONOC-UHFFFAOYSA-N	414.615	5.256	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1	1825879321	RZDCUGUUIOASFU-QFIPXVFZSA-N	414.590	5.122	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccco1	11309221	LJPOMYODMCETRX-LLVKDONJSA-N	423.325	5.150	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(s1)-c1ccccc1OC2	62889136	PCJQUTKATIGPSS-UHFFFAOYSA-N	406.463	5.044	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1	237023246	DEETWLOMKISIBJ-KRWDZBQOSA-N	407.495	5.294	30	20	HKED	
COc1cc(C)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1OC	261460987	SWQIHXVQCRZSEJ-UHFFFAOYSA-N	422.868	5.582	30	20	HKED	
N#C[C@H](C(=O)COc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	301759786	HJPMNWKLSUYWEX-HXUWFJFHSA-N	418.905	5.872	30	20	HKED	
N#Cc1ccccc1CSCCNC(=O)c1ccc(-c2nc3ccccc3s2)o1	302540679	RMLXGMNDEOXQSU-UHFFFAOYSA-N	419.531	5.091	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2cc(Br)ccc2[nH]1	303421870	YRULKOFPAPSWCL-GFCCVEGCSA-N	414.328	5.434	30	20	HKED	
Cc1ccc(-n2c(S[C@H](C)c3ccc(C#N)cc3)nnc2-c2ccncc2)cc1C	303733774	WBBTXFKDPJXMJU-GOSISDBHSA-N	411.534	5.671	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1cccc2ccccc12	429729917	CKBARQUVPUUHKM-UHFFFAOYSA-N	423.520	5.399	30	20	HKED	
CCc1ccc([C@H]2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)cc1	433062407	SUTMWSDLURQEPC-NQIIRXRSSA-N	407.583	5.071	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc2sc(C)nc2cc1Cl	435184630	STPKXMLYEIOPRN-UHFFFAOYSA-N	416.890	5.386	30	20	HKED	
C[C@@H](Nc1ccc([C@@H](C)Sc2ccccc2)cc1)C(=O)Nc1ccccc1C#N	437153315	VXKDGPCPFDPKLL-QZTJIDSGSA-N	401.535	5.851	30	20	HKED	
CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	438191628	XYWOVZJJKZAQNV-MRXNPFEDSA-N	413.543	5.355	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCCO1	438548146	ROKHJPOAIREBLW-AWEZNQCLSA-N	419.403	5.012	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1	438654251	ULEMUYMEFXSFDZ-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
Cc1csc(CCCCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	438660693	MYLNUYFHZHDRPQ-UHFFFAOYSA-N	424.501	5.399	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)c2ccc3ccccc3c2)c1C#N	445563949	MQJVMTJFFMGWTN-INIZCTEOSA-N	412.518	5.361	30	20	HKED	
O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(-c2ccccc2C(F)(F)F)on1	463683299	HZNLEJJHPQZQLQ-UHFFFAOYSA-N	418.268	5.771	30	20	HKED	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	464875215	PAJBJFRRJCIHKO-QHCPKHFHSA-N	420.484	5.209	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1CCC(F)(F)F	465245404	XSXCLQRFADEGSD-ICSRJNTNSA-N	401.432	5.485	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2c(C(F)F)nn(C)c2s1	470756559	PNNVLSZMWUKWJF-UHFFFAOYSA-N	401.891	5.116	30	20	HKED	
Cc1ccc(NCc2nnc(-c3ccc(C#N)cc3)o2)cc1OCC1CCCCC1	471672737	YAGMZACNUOPHTQ-UHFFFAOYSA-N	402.498	5.488	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C3(c4ccc(C#N)cc4)CC3)s2)cc1	473578979	TUOSBLGUQSJKPR-QGZVFWFLSA-N	401.535	5.208	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2ccc(Br)cc2n1	474444822	JKGAOUQOZLAWSK-HNNXBMFYSA-N	414.328	5.376	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1cccc(Cn2nc(C)nc2C)c1	475563071	PQHXPTGJUHPAIR-UHFFFAOYSA-N	403.530	5.439	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	476170881	WARUKHKTIIUFKC-UHFFFAOYSA-N	407.495	5.823	30	20	HKED	
Cc1sc(NC(=O)c2ccc(C#N)s2)nc1-c1ccc(Br)cc1	476922985	MQMCWBGBEWOCJZ-UHFFFAOYSA-N	404.314	5.067	30	20	HKED	
Cc1ccc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	477202614	CTEJELZUSDFTJW-UHFFFAOYSA-N	421.294	5.461	30	20	HKED	
CCS[C@@H]1CCCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	481408413	NBRPOTOWIMNLBT-HSZRJFAPSA-N	423.582	5.471	30	20	HKED	
N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cnc2ccccc2n1	483190477	DCNVTVYTCGEEOR-KRWDZBQOSA-N	421.485	5.034	30	20	HKED	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c2c1	483191757	BWNRSQYYSGADBM-FQEVSTJZSA-N	415.456	5.039	30	20	HKED	
CCCN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCc2cccnc21	483215270	PYZARUBGPFUJDM-RUZDIDTESA-N	424.548	5.619	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1	486847962	SSUKWUNFQIPLJC-QFQXNSOFSA-N	412.537	5.091	30	20	HKED	
CO[C@@H](C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)s1	487467334	LANQBJRJQJGVML-LBPRGKRZSA-N	409.536	5.110	30	20	HKED	
C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1-c1cccc(OC)c1	488897466	IEQOGDKJYOWSKF-INIZCTEOSA-N	418.522	5.648	30	20	HKED	
CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CCC(F)(F)CC1	493179922	IQHOINWXIOZFMP-UHFFFAOYSA-N	400.494	5.500	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)CCCC(F)(F)F	494754618	ZPTCDINBSXVAJW-MRXNPFEDSA-N	419.447	5.688	30	20	HKED	
CC[C@](C)(C#N)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1	504242044	WKOPSUZTIVAPCK-GOSISDBHSA-N	422.794	5.787	30	20	HKED	
CC[C@@H](CSc1ccccc1)NC(=O)c1occc1COc1cccc(C#N)c1	504777623	FUYSNOYEAWVHMI-IBGZPJMESA-N	406.507	5.031	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1	505016928	NYZQCTAPRJJCNI-QFIPXVFZSA-N	423.944	5.438	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1	505342083	ISNYENPVUFHBPK-HNNXBMFYSA-N	418.362	5.354	30	20	HKED	
N#C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)c1cccc(Cl)c1Cl	505349157	KHKAGOQTEXCSMV-AWEZNQCLSA-N	406.656	5.296	30	20	HKED	
COc1c(Cl)cc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1Cl	506305961	MTCLAPIEURVKJL-UHFFFAOYSA-N	408.310	5.120	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3cccs3)nc2C)cc1	508144080	BPBTXXIRQVXJRN-UHFFFAOYSA-N	423.563	5.247	30	20	HKED	
CC[C@H](C)n1ncc2c(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc(C)nc21	509015721	JBGJWAWEDDWWIO-KRWDZBQOSA-N	413.481	5.022	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510876755	HZTDYFIWJUMEIL-HNNXBMFYSA-N	423.925	6.174	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1CCCN(C2CCC2)C1	512846851	RHLRCANCLGUKAF-QUCCMNQESA-N	418.541	5.125	30	20	HKED	
CC(C)c1nc(C2CCN(Cc3cccc(OCc4ccccc4C#N)c3)CC2)no1	513050076	CZDPNOQFBQMFLK-UHFFFAOYSA-N	416.525	5.023	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1	513968712	JNEWHDKORRUFDQ-UHFFFAOYSA-N	410.257	5.130	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C)c(OC(F)F)c2)cc1C	514147614	NIBWSKHNURKMPZ-UHFFFAOYSA-N	424.451	5.243	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(F)cc4)n3)n2)cc1	514217736	HCMGIAKFSXHUKW-KRWDZBQOSA-N	419.506	5.871	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(Cl)s3)on2)cc1	518688929	YATNWUNNADENCL-UHFFFAOYSA-N	401.875	5.016	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1cccc(Cl)c1	520821838	XWPAPHOWTRHQTK-LSDHHAIUSA-N	404.988	6.167	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(F)cc1F)C1CC1	521259308	LOJNOJICFIPDJG-CQSZACIVSA-N	401.482	5.413	30	20	HKED	
C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1	523189178	SFLDCWLFKRRTPP-SFHVURJKSA-N	419.475	5.352	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)ccc21	523798727	ZEINQVPQRKOULD-ZDUSSCGKSA-N	411.387	5.002	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(Cl)c1Cl	524572571	GWLFVZYKPXBRRQ-WWGRRREGSA-N	413.226	5.497	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	524827197	OXWPJMXNBBELQC-HSZRJFAPSA-N	400.482	5.751	30	20	HKED	
CCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1	524831772	GLOODUZBLFROQA-FXAWDEMLSA-N	411.571	6.385	30	20	HKED	
C=CCOc1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1	525658995	AVRAGOPQHLBGEO-UHFFFAOYSA-N	416.264	5.393	30	20	HKED	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccccc1SC[C@H](C)C#N	531548636	OODUOCCZZHRJHP-MRXNPFEDSA-N	404.539	5.052	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)F)cc1Br	532838027	AOZUUADEAWBMEL-UHFFFAOYSA-N	412.209	5.003	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc1F	535468277	JBWNZNFTDOJEJU-JOCHJYFZSA-N	402.429	5.157	30	20	HKED	
N#CCCN(Cc1cccnc1)C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1	536898061	UINVOSDRVLHIHE-UHFFFAOYSA-N	407.926	5.442	30	20	HKED	
CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	538297438	YKZRQUXPTKEQTQ-UHFFFAOYSA-N	416.525	5.450	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)CC2CCC(C(F)(F)F)CC2)CC1	541219389	LVVZNMOPHWKVCM-UHFFFAOYSA-N	408.464	5.123	30	20	HKED	
Cc1csc(C(C)(C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1	542089692	FOZKWIFRDSXZCG-INIZCTEOSA-N	404.539	5.286	30	20	HKED	
N#C[C@H](C(=O)c1ncccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	543576844	MUZIZBMCXVDELV-GFCCVEGCSA-N	407.804	5.367	30	20	HKED	
Cc1cc(Br)c(C(=O)Nc2ccccc2SCCC#N)cc1Cl	552951136	WPUUDROUQYBQGD-UHFFFAOYSA-N	409.736	5.669	30	20	HKED	
COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1	553233474	LLFRJIQBMDUVIF-WMZHIEFXSA-N	406.526	5.116	30	20	HKED	
Cc1nc(SCC(=O)N[C@H](CCCC#N)c2ccccc2)c2c(C)c(C)sc2n1	554519111	SGEUGFVWLXKCCC-GOSISDBHSA-N	424.595	5.260	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1	554676209	WQEYXERJSPDZOU-UHFFFAOYSA-N	421.884	5.868	30	20	HKED	
CC(C)(C)c1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc(C(C)(C)C)c1O	558640154	HHROWZFYPZNCPD-UHFFFAOYSA-N	419.569	5.080	30	20	HKED	
C=CCOc1ccccc1CNCC1(c2cccc(C(F)(F)F)c2)CCOCC1	561278599	MGNFTXFLZKRNOB-UHFFFAOYSA-N	405.460	5.108	30	20	HKED	
CC1(C#N)CCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2ccccc2)CC1	565433105	JFNXSBMBKSHVBI-UHFFFAOYSA-N	421.548	5.200	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nc2ccccc2cc1Br	573284315	UMSKPVMWFBCBEU-UHFFFAOYSA-N	409.327	6.102	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1	580679962	YIIITGFUNYWUGP-DNQXCXABSA-N	417.597	5.524	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1	590031930	IWJDORJUASCWSB-JKSUJKDBSA-N	404.297	5.043	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cn1)c1ccccc1	592973696	IVYHKYFVZFRZBS-KDOFPFPSSA-N	417.465	5.460	30	20	HKED	
CCCn1c(C)c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c2cc(OC)ccc21	592974022	MKLYZJYUUYOUEG-KRWDZBQOSA-N	421.497	5.607	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C(F)F)[nH]c4c3)n2)cc1	601432839	DZYJKZGLMCTZTP-CQSZACIVSA-N	424.432	5.123	30	20	HKED	
CCOC(=O)c1sc(NC(=O)c2oc3c(ccc4ccccc43)c2C)c(C#N)c1C	603444602	LTUBEBZORBZEPT-UHFFFAOYSA-N	418.474	5.565	30	20	HKED	
COc1ccc(O[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1	603759219	YIJVEPYSEBWMJW-OPAMFIHVSA-N	420.896	5.410	30	20	HKED	
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1	603945896	JKKQZFNVUWSFEA-UHFFFAOYSA-N	404.466	5.289	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	604129628	NJHRYTBVMYJITK-QFIPXVFZSA-N	407.876	5.282	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1Cl	604528304	VDNNBNAXJAHHRS-VQTJNVASSA-N	415.880	5.060	30	20	HKED	
CCN(CC)Cc1ccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)o1	608870228	DGHGPUQYLIXJQX-UHFFFAOYSA-N	419.500	5.288	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NC(C)(c1ccccc1)c1ccccc1	609399215	GPUCNSDPZKKZCL-IBGZPJMESA-N	415.562	6.024	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	609401955	MZHBSYRHXVVDRF-ZDUSSCGKSA-N	408.354	5.909	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2	609431929	ZRRCNQJQTOYYSQ-HNNXBMFYSA-N	420.513	5.147	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1	609435154	SNJAFSRFENQAKT-SJORKVTESA-N	420.538	5.634	30	20	HKED	
C[C@@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1	609971063	DKGCYUPHPDKDRX-INIZCTEOSA-N	416.443	5.141	30	20	HKED	
N#CCc1cccc(-c2nc(Cc3nc4cc(C(F)(F)F)ccc4s3)no2)c1	612881679	BYQCPYQHHZQTJE-UHFFFAOYSA-N	400.385	5.022	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1nc2ccccc2n1C(F)F	613401678	LCICWXZIXNOKJI-GOSISDBHSA-N	421.378	5.853	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3C)no2)nnc1-c1ccccc1C	675776016	MYPDGMWPHRAXHS-UHFFFAOYSA-N	403.511	5.090	30	20	HKED	
F[C@H](c1ccc(C(F)(F)F)cc1)c1nc(Cc2ccc(C(F)(F)F)cn2)no1	685230720	IUCGSIUKBPVWPZ-CQSZACIVSA-N	405.273	5.152	30	20	HKED	
O=C(C=NOCc1csc(Cc2ccc(Cl)cc2)n1)Nc1ccccc1Cl	725791776	HJBKTXXYULULSQ-UHFFFAOYSA-N	420.321	5.182	30	20	HKED	
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1	728269542	PSPOTLNMNOFFOG-UHFFFAOYSA-N	420.900	5.220	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)Cc2ccccc2OC)cc1	730686499	GSTPLRCSBPPEBR-SPEDKVCISA-N	406.526	5.125	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@H]2c2ccccc2)ccc1OC	733654194	PUAOLQSFUMJZAQ-VXKWHMMOSA-N	421.541	5.203	30	20	HKED	
C=CC[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccncc1	734235095	CUXUPKMKYDQIDR-KRWDZBQOSA-N	411.914	5.096	30	20	HKED	
C=CC[C@H](NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1)c1ccncc1	734360051	FXQWEERSEQMINH-IBGZPJMESA-N	402.922	5.216	30	20	HKED	
C=CC[C@@H](NC(=O)N(CCc1ccc(OC)cc1)Cc1ccccc1)c1ccncc1	734678294	FSBFQCSRRKLKCP-RUZDIDTESA-N	415.537	5.162	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1)c1ccncc1	734679735	JQLJCECLJPAUKX-XMMPIXPASA-N	401.510	5.119	30	20	HKED	
C=CCSc1nc2ccccc2n1CN1CCC(C(F)(F)F)(C(F)(F)F)C1	735301184	FLUBPFQWADHWOP-UHFFFAOYSA-N	409.399	5.089	30	20	HKED	
COc1cc(Br)c(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc1OC	741473464	QFBCLUFMFOJIFV-SREVYHEPSA-N	424.294	5.424	30	20	HKED	
COc1ccc(CNc2ccccc2SC[C@@H](C)C#N)cc1SC(F)(F)F	742259928	XKMCMJSQBVWKRD-ZDUSSCGKSA-N	412.502	6.171	30	20	HKED	
Cc1sc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1C	742262208	WXJIIVKJMCHBGX-UHFFFAOYSA-N	423.513	5.314	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)Nc2cccc(OCC#N)c2)c(C(F)(F)F)c1	743101978	CBQBWKANGOSQOC-UHFFFAOYSA-N	421.419	5.107	30	20	HKED	
COc1ccc2sc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c(C)c2c1	744034565	BTOFWVQUOXMPEE-CQSZACIVSA-N	412.923	5.972	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(C)s2)cc1	750706150	QHSBAVRRSNCUMR-HNNXBMFYSA-N	407.495	5.612	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1C#N	752205920	HIHSTYKZGSOAMX-UHFFFAOYSA-N	419.441	5.043	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C2SCCS2)c1	752623856	BLZMKFSBUGJJCH-UXHICEINSA-N	409.580	5.469	30	20	HKED	
CC[C@@H](C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	756233694	OKAVEVMCFNKGCK-ACJLOTCBSA-N	402.466	5.476	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(C3OCCO3)c2)cc1Cl	760197484	OXQHJQWXDKVBIC-NRFANRHFSA-N	418.880	5.293	30	20	HKED	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1	760205084	RYZRHRVBBYNPCZ-XHDPSFHLSA-N	400.862	5.174	30	20	HKED	
Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1	761872967	UHVQYUSSDGUUNE-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nccc3ccccc23)cc1	764841522	UPSMTTPXTDSZDD-QHCPKHFHSA-N	409.514	5.621	30	20	HKED	
COc1ccc(NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)c([N+](=O)[O-])c1	767798065	UJWMBPJHRDMUQU-UHFFFAOYSA-N	413.865	5.012	30	20	HKED	
COCCN(Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1	768621047	BZMBPISTYNISSY-DLBZAZTESA-N	406.448	5.206	30	20	HKED	
N#C[C@@H](C(=O)CC1(CSc2ccccc2)CC1)c1nc2ccccc2n1C(F)F	770843035	XEFWUQXDVGIBMK-INIZCTEOSA-N	411.477	5.570	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(N2C(=O)NC3(CCCCCC3)C2=O)cc1Cl	771820291	SNIKOHFCXZTCCO-LJQANCHMSA-N	407.901	5.145	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccn1[C@H](C)Cc1ccccc1	773760150	LEAFFYXPRLCHSJ-DYESRHJHSA-N	409.489	5.287	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1)c1ccccc1	777684435	UVORECZZDLOUGF-RUZDIDTESA-N	405.586	5.153	30	20	HKED	
Cc1c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cccc1C(=O)Nc1ccccc1	780535002	ABKLLABCCCYMQD-INIZCTEOSA-N	414.465	5.182	30	20	HKED	
Cc1csc([C@@H](C#N)C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1	786927746	XNQJGEDBQXJVOG-ZDUSSCGKSA-N	421.309	5.008	30	20	HKED	
Cc1nn(C)c(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)c1Br	790600863	NXEMEGKZLNQCHI-BQYQJAHWSA-N	419.266	5.042	30	20	HKED	
CCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](O)c1ccccc1	791753269	ZQCVWBIVBKRHTO-SDHOMARFSA-N	413.521	5.366	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1ccccc1Cl)CC1CC1)c1nc2ccccc2s1	796260719	OSALKVOSJRZVFZ-QGZVFWFLSA-N	409.942	5.038	30	20	HKED	
C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccccc1-c1ccccc1	803833903	JORZVQDEIQANEH-OAHLLOKOSA-N	404.853	5.063	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(-c3ccccc3)c2)ccc1OC	806758659	BCZZUTMFNNKGGE-JOCHJYFZSA-N	415.493	5.365	30	20	HKED	
Cc1cccc(C)c1-c1cccc(OC(=O)CCc2c(C)nc(O)c(C#N)c2C)c1	811220409	RVTOAERBWPHSER-UHFFFAOYSA-N	400.478	5.098	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1	915086527	LLKKWIRJSDYSEE-NRFANRHFSA-N	405.295	5.286	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915087303	RZCLXOOPKCETRX-UIOOFZCWSA-N	421.500	5.245	30	20	HKED	
C[C@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)csc2C1	916884449	XWMBTVMCDLVRTC-NHYWBVRUSA-N	420.506	5.149	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccccc3)cc2)c1	916897329	XHEYWOWXOCIKMU-QFIPXVFZSA-N	400.503	5.249	30	20	HKED	
N#C[C@@H](C(=O)C=C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	917430891	HOYJOZVBGAESIM-INIZCTEOSA-N	403.334	6.040	30	20	HKED	
N#C[C@@H](C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1nc2ccccc2o1	917510242	ZGLJYDTWEUPYRC-SIKLNZKXSA-N	406.445	5.012	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3ccc(Cl)cc3)n2)cc1	920142359	BUCMMMMXFDCSNF-SFHVURJKSA-N	410.926	5.626	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccc(C)c(C)c2)c1=S	920486531	JAUKRNDRPXEUBQ-OAQYLSRUSA-N	405.571	5.074	30	20	HKED	
CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)CC1	1789115143	OHYKONMEVGZDCQ-FQEVSTJZSA-N	413.521	5.052	30	20	HKED	
C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccc(C)cc1	1800606133	HZZZMZBOAISBMH-XBYSBRQOSA-N	416.565	5.126	30	20	HKED	
Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2cn(CCC#N)c3ccccc23)S1	7165125	IXJKTIBSKDLNCJ-DEDYPNTBSA-N	400.507	5.063	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(C)c2)cc1	10167250	CQCMXYXJMSSFLV-UHFFFAOYSA-O	417.598	5.821	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1cccc(Cl)c1	23604084	LADXHAJAAXSNAS-UHFFFAOYSA-O	412.966	5.186	30	20	HKED	
Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1C	25839095	PGPZEQRSEMALOD-UHFFFAOYSA-N	404.539	5.021	30	20	HKED	
N#C[C@H](C(=O)c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1	54281444	RELMIACRSMKVBY-GFCCVEGCSA-N	414.330	5.824	30	20	HKED	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CSc2ccccn2)c1	110107677	CJGRRMXOJREADL-QHCPKHFHSA-N	417.534	5.288	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccccc1F	195696036	FLVCGXATVNCNDI-UHFFFAOYSA-N	422.485	5.226	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1cc(Br)cs1	303273153	HXUIEVBSOPZVIK-LBPRGKRZSA-N	409.374	5.334	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	303401109	RADBXNUEXFRWQV-WOJBJXKFSA-N	402.416	5.154	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1	303750604	AFLPJIUBOPHGIC-ZWKOTPCHSA-N	412.892	5.036	30	20	HKED	
COCc1nc2cc(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)ccc2o1	431399753	KFEYXQIBTILMGV-UHFFFAOYSA-N	414.421	5.282	30	20	HKED	
CC(C)c1cnc(-c2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)o1	433180826	YXPDNHJECOGMRS-OAQYLSRUSA-N	402.498	6.022	30	20	HKED	
Fc1ccc(F)c([C@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)C(F)F)c1	434667958	ZLNJFVCIQQCZKZ-INIZCTEOSA-N	418.312	5.735	30	20	HKED	
CCCCN(Cc1ccccc1Cl)Cc1cn(CCC#N)nc1-c1ccncc1	435132227	WCNLZLJSQXRHOE-UHFFFAOYSA-N	407.949	5.314	30	20	HKED	
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)C1CCC(C(F)(F)F)CC1	435556661	NHPWQGUQPNEJCG-UHFFFAOYSA-N	403.294	5.197	30	20	HKED	
CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1	437461182	TZPIMTIYHHFLKA-ZDUSSCGKSA-N	411.458	5.296	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1	438067781	ARPFWPCACSXWGQ-CVEARBPZSA-N	413.974	6.349	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2)no1	439677621	INPYNQFRVMBEFQ-HXUWFJFHSA-N	402.498	5.100	30	20	HKED	
COc1ccc(Cc2nc(C)c([C@@H](C)NCC3CCC(C#N)CC3)s2)cc1OC	442865333	HWTFBVSCMFHXDP-FAEJEUNOSA-N	413.587	5.040	30	20	HKED	
Cc1ccc(C)c([C@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@H](C)CO2)c1	444243859	IVLCUBRLAJFWCV-CJFMBICVSA-N	415.537	5.164	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCn2c(cc3c(Cl)cccc32)C1	444893178	DOCDNIRSZSUUOG-OAHLLOKOSA-N	424.957	5.594	30	20	HKED	
Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccccc1-c1ccccc1C#N	447650583	AWWFPGYOYSSUDD-UHFFFAOYSA-N	414.415	5.156	30	20	HKED	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	463108428	WIVCPFPQUNTFFQ-NBCNXNJRSA-N	407.514	5.366	30	20	HKED	
COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CCO2	467331007	KWPXTKQXNMQSMI-QFIPXVFZSA-N	415.449	5.004	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC	469932523	KEAWRLWUVHVWLZ-UHFFFAOYSA-N	403.530	5.138	30	20	HKED	
CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470530702	ISFDEXKQPHZHPU-OAQYLSRUSA-N	410.562	5.092	30	20	HKED	
Cc1c(COC(C)(C)C)cccc1NCC(=O)N(CCC#N)c1cccc(Cl)c1	470531893	MNYBZNUYCMZNDD-UHFFFAOYSA-N	413.949	5.322	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21	470769652	QJFXCXFUAMEIQA-UHFFFAOYSA-N	423.516	5.118	30	20	HKED	
C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N(CCC#N)Cc3ccccn3)c2)C1	473788285	JZAPOYYIQQMCNH-AUSIDOKSSA-N	406.530	5.125	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1	475570432	JAUSLGDVLQKFQI-FQEVSTJZSA-N	421.589	5.268	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(SCc2nc(C)no2)cc1	476161026	TVIHMRYAUOTNHO-UHFFFAOYSA-N	407.539	5.775	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccccc1C	481393739	ZMPYSFYEDNWZPI-KRWDZBQOSA-N	417.538	5.267	30	20	HKED	
CC(C)c1c(NC(=O)c2ccc(C3(C#N)CC3)cc2)cnn1-c1ccccc1Cl	482733423	XHQNDVDJFKRBRH-UHFFFAOYSA-N	404.901	5.457	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2cc(Br)ccc2c1)c1nccc2ccccc12	483191920	FLLPRHYNXYEWCK-HXUWFJFHSA-N	401.263	5.641	30	20	HKED	
N#Cc1ccc(SCC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)cc1	483440327	QLUWRNNGBJIXJR-FQEVSTJZSA-N	415.356	5.070	30	20	HKED	
Cc1cc(Br)cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	485681725	YBHZHUIKYVPGBX-UHFFFAOYSA-N	408.255	5.069	30	20	HKED	
C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(C)cc1	489669752	TWZVIAHFCARUEC-UHFFFAOYSA-N	412.946	5.214	30	20	HKED	
COc1cccc(C[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1	497771802	SDDULUNARQBUBV-KRWDZBQOSA-N	401.466	5.112	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N(CCC)Cc2ccc(C#N)cc2)cc1OC	498448586	SMNRFAUHYJAKED-UHFFFAOYSA-N	400.906	5.061	30	20	HKED	
Cc1c(C#N)cccc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1	501322565	LZRGLHXUGVQQDG-HXUWFJFHSA-N	401.470	5.066	30	20	HKED	
C=C[C@@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1)c1ccccc1	501833381	XLBSXFQVCYEEQJ-AVRDEDQJSA-N	419.500	5.679	30	20	HKED	
Cc1ccc(CN(Cc2ccco2)C(=O)Nc2cc(C#N)ccc2OC(F)F)s1	502422980	CQDALQNZHREOTP-UHFFFAOYSA-N	417.437	5.357	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1	504704043	SISCQFKDNLYVMS-UHFFFAOYSA-N	410.517	5.150	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1	504748873	DPRVNBOQINDOAX-RBUKOAKNSA-N	415.320	5.039	30	20	HKED	
Cc1nc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)sc1SCC#N	504768901	BRRCIEPLZNIVJZ-UHFFFAOYSA-N	420.972	5.405	30	20	HKED	
COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	510171728	CEKZALCJOLXNCR-MRXNPFEDSA-N	403.507	5.057	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCOc1ccccc1F	510871111	FGJXCBVTNATHTP-UHFFFAOYSA-N	419.456	5.341	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)cc1	510984043	NVBXWULEGWBNMX-XMMPIXPASA-N	417.553	5.130	30	20	HKED	
CN(CCC1CCCCC1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	513982519	DUVFJCRHLTVPRN-UHFFFAOYSA-N	415.588	5.136	30	20	HKED	
N#CCCCOc1cccc(NC(=O)CSCc2ccc(Br)cc2)c1	515611359	YRQAMTPKOJYEPC-UHFFFAOYSA-N	419.344	5.004	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccccc1SC[C@@H](C)C#N	517457384	QECJHOYNPGTBLQ-HNNXBMFYSA-N	422.529	5.061	30	20	HKED	
C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(OC(F)F)c1	517537140	FSZRIAQQXVHWCE-KRWDZBQOSA-N	408.448	5.589	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1	518034406	ATXCYIHFFWQBRQ-UHFFFAOYSA-N	416.408	5.518	30	20	HKED	
Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cc2cc(C#N)ccc2F)C3)cc1	518809875	LMKRNLJZJGTFRS-UHFFFAOYSA-N	414.484	5.208	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)cc1	520324306	NJPSJVFLPIUIGL-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
C[C@H](NC(=O)[C@@H](C)Nc1ccccc1SC[C@H](C)C#N)c1cccc2ccccc12	520832845	VEJBGRDLTRMJPB-CEXWTWQISA-N	417.578	5.769	30	20	HKED	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	522907469	GJAXZFFDUQZFOX-JTSKRJEESA-N	413.949	5.155	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)cc1	523152911	GFHAIZKCUNCQEV-MRXNPFEDSA-N	404.432	5.230	30	20	HKED	
CC(=O)N(c1nc(CSc2ccc(C#N)cc2F)cs1)c1ccc(C)cc1C	525503629	LJPDOHFGKVDZDM-UHFFFAOYSA-N	411.527	5.748	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1	531620671	LHNMMGFYWBCKJZ-IRXDYDNUSA-N	417.575	5.057	30	20	HKED	
C=C[C@H](CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccccc1	534681685	LYVVUKDMFZBFHP-NFBKMPQASA-N	414.549	6.488	30	20	HKED	
COc1ccc2nc(C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1	537668016	UITXZFRCVWRQSH-HXUWFJFHSA-N	424.485	5.037	30	20	HKED	
N#Cc1cc(/C=C(/CC(=O)O)c2nc3cc(Br)ccc3s2)ccc1F	538857811	KLRIRVZYXCJKHD-WZUFQYTHSA-N	417.259	5.085	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc(C)n3C3CC3)n2)o1	540349426	OOYITYCUPDXKFZ-UHFFFAOYSA-N	419.432	5.068	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(C4CCCCC4)n3)n2)cc1	540686122	YKFNXZWABZXRPU-LJQANCHMSA-N	420.538	5.319	30	20	HKED	
Cc1csc([C@H](C)CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1	541653383	MXEDBIUJQULLAL-CYBMUJFWSA-N	411.914	5.302	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)c(Cl)c1	542388899	VUMCQIRBVJAATH-CYBMUJFWSA-N	410.724	5.405	30	20	HKED	
N#Cc1ccccc1OC1CCC(N[C@H](c2cccnc2)c2ccc(F)cc2F)CC1	542493605	DGXMMCKAPHOYPZ-UXIGSVSMSA-N	419.475	5.301	30	20	HKED	
C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542928665	UXEIZAXGMCQDKC-QGZVFWFLSA-N	409.489	5.065	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1cccc(F)c1	543889453	XSVVTUPLXSWXJZ-SPLOXXLWSA-N	423.879	5.151	30	20	HKED	
C=C(C)Cn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccco1	544936669	FJGSKLBLNGEXQH-UHFFFAOYSA-N	413.890	5.110	30	20	HKED	
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3coc(C4CCCCC4)n3)n2)cc1	549079849	JLGBMZHFECRCIP-KRWDZBQOSA-N	402.479	5.208	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1	551659657	CRZXUNDSHVWCFF-UHFFFAOYSA-N	403.960	5.423	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1COc1ccccc1	554151967	LBPWDQLCJRQEPW-UHFFFAOYSA-N	418.541	5.653	30	20	HKED	
Cc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)sc2ccc(C#N)cc12	556064942	FYRPRSVQXJSGHA-UHFFFAOYSA-N	415.518	5.073	30	20	HKED	
C[C@H]1CC(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@H](C)O1	558974246	ZTYLCJYYKONKAP-OALUTQOASA-N	423.532	5.003	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2cc(Cc3ccccn3)ccc2C)c1C#N	564101520	OGIGJMMYQYLOIE-UHFFFAOYSA-N	414.534	5.099	30	20	HKED	
O=C(Nc1c(F)cc(F)cc1F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1	568653002	VFXCLPDMKGGZLT-KRWDZBQOSA-N	406.301	5.225	30	20	HKED	
CC(=O)N(c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@@H]1C[C@@H]1C	569282531	BNXSCPKDNHBKTC-SSOJOUAXSA-N	409.489	5.239	30	20	HKED	
Cc1csc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1C#N	571560290	IMQPSHTVZKSDJC-UHFFFAOYSA-N	410.499	5.088	30	20	HKED	
N#CCCn1cc(CNCC[C@@H](c2ccccc2)C(F)(F)F)c(-c2ccccc2)n1	579738816	AZHCCZNUGRYDKK-NRFANRHFSA-N	412.459	5.290	30	20	HKED	
C=CCOc1ccc(CN[C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cc1	598038183	ZYQADPDKGCUSRB-OAQYLSRUSA-N	406.551	5.551	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1	605415113	DJXCTDALVIKKGP-OAQYLSRUSA-N	418.497	5.451	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1	608996062	RQKSISVZJALXFJ-GOSISDBHSA-N	415.493	5.627	30	20	HKED	
COc1ccc(-c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)sc2C)cc1	609377882	JTYBXGIEXBHLEK-OAHLLOKOSA-N	422.575	6.236	30	20	HKED	
CC(=O)Nc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1C	609727765	YYKJPQPCBCNYSE-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	610018800	RRVQPRKVQJABJT-OAQYLSRUSA-N	416.481	5.369	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@@H]2[C@@H]3C(F)(F)F)c1	610494587	HPYIIAZLSNVUHM-MORSLUCNSA-N	406.791	5.027	30	20	HKED	
CO[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl	610792654	TWGMIDLKCZFKEW-RDTXWAMCSA-N	403.935	5.101	30	20	HKED	
COc1ccc(-c2nnc(SCc3ccc(C#N)cc3C)n2Cc2ccco2)cc1	614398008	DSLSRXCFXHONPU-UHFFFAOYSA-N	416.506	5.067	30	20	HKED	
Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1	615465025	SOFCOMXJLVRBJS-LJQANCHMSA-N	423.314	5.016	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1CCc2cc(F)ccc21	619388805	IWMQGZKINVTZQG-HFAKWTLXSA-N	412.349	5.022	30	20	HKED	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	622477654	GQQNNZRCCWSQRL-SJKOYZFVSA-N	421.356	5.833	30	20	HKED	
O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	674443409	QVXDYMPWUXYQAR-ZIAGYGMSSA-N	420.328	5.064	30	20	HKED	
N#C[C@H](C(=O)c1csc([C@H]2CCCO2)n1)c1nc2cc(C(F)(F)F)ccc2s1	677377110	GVFOLTXZBNXZJE-ZWNOBZJWSA-N	423.441	5.113	30	20	HKED	
CC(C)Oc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl	678324292	GIOVCRWAUUVXGT-INIZCTEOSA-N	422.897	5.007	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc2ccccc2n1	682002841	QHZRAJGYIDTMIF-MRXNPFEDSA-N	422.362	5.883	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](OCCC)CC1	685540294	NPSAPOURLODWLY-NHCUHLMSSA-N	412.578	5.006	30	20	HKED	
C#CC[C@@H](OC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccccn1	727776338	ZYBJRLPTMALNSO-GOSISDBHSA-N	424.909	5.279	30	20	HKED	
COc1ccccc1NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	727978371	IFWWCIBDJJGYCU-UHFFFAOYSA-N	423.925	5.608	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)c3ccccc3OC)n2)cc1	728769325	FHUJLQLPFDUOGS-BEFAXECRSA-N	406.507	5.197	30	20	HKED	
CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	731975847	HOIZEJCTRSKWNJ-UHFFFAOYSA-N	422.488	5.003	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)c1	733770399	HUNQIAMUMWYVDJ-ZDUSSCGKSA-N	419.333	5.819	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Cc3c[nH]c4cc(Cl)ccc34)c2)s1	739590692	NEMQZLFJZDZOLO-UHFFFAOYSA-N	405.910	5.280	30	20	HKED	
COc1ccc(OC(F)F)c(CNCc2cccc(-c3ccc(C#N)s3)c2)c1	740014878	XUVYHLZSRIDSIA-UHFFFAOYSA-N	400.450	5.187	30	20	HKED	
Cc1cn(-c2ccccc2)nc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	740450155	PWCUOBPFNLYTTO-UHFFFAOYSA-N	413.506	5.103	30	20	HKED	
CSc1ccc(C(=O)/C=C/c2ccc(OCc3occc3C(=O)O)cc2)cc1F	741846800	INZFDMONAHVDIF-XBXARRHUSA-N	412.438	5.314	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	744025337	KAXVYFZWJVTWII-IKGGRYGDSA-N	407.684	5.098	30	20	HKED	
CC(=O)c1cccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1	747022415	YIMGDJBPNCQLIY-QGZVFWFLSA-N	412.898	5.188	30	20	HKED	
CCCCCOc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)ccc1OC	747061921	QPPAKGHSAYKCET-LUAWRHEFSA-N	409.482	5.117	30	20	HKED	
COc1ccc(C(=O)/C=C\c2csc(-c3cccs3)n2)cc1Cn1cccn1	749892967	CVOMFGHNMQRUCZ-SREVYHEPSA-N	407.520	5.021	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCc2nc(-c3ccccc3F)sc21	753145245	YAJSEDHUFWPXQD-SDNWHVSQSA-N	419.506	5.680	30	20	HKED	
CCC(=O)c1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F	756923699	JDZBAZLEFJMHNB-GHMZBOCLSA-N	413.333	5.058	30	20	HKED	
CCC(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1F	757042861	OYAZQVYKJDERBQ-UHFFFAOYSA-N	406.388	5.474	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	759037892	LHOWUOMNZXAIGO-DLBZAZTESA-N	417.575	5.057	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1	759744157	GKDBBXCVYSMPJW-UHFFFAOYSA-N	418.909	5.751	30	20	HKED	
O=C(Nc1cccnc1)/C(=C/c1ccc(C(F)(F)F)s1)C(=O)c1ccccc1	761478828	RSDLDLKVFXMQSZ-LFIBNONCSA-N	402.397	5.067	30	20	HKED	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	771433550	LEVQCTVJAUYNMQ-VEYWIMSWSA-N	417.484	5.379	30	20	HKED	
N#Cc1cc2c(nc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)CCCC2	776349808	GKIMZKAEHCNZMD-UHFFFAOYSA-N	416.095	5.093	30	20	HKED	
N#CC1(c2ccc(C(=O)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)cc2)CC1	777421081	IXJIYGIQPUNHSK-UHFFFAOYSA-N	411.486	5.476	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1ccc(C(C)C)cc1)[n+]1c(C)ccc(O)c1Cl	777510769	OAEJKISXAZRLNE-UHFFFAOYSA-O	417.982	5.142	30	20	HKED	
COc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1NC(=O)C1CCCCC1	777698530	VOCXEFQDNLQLHA-QGZVFWFLSA-N	407.514	5.289	30	20	HKED	
CC(C)Sc1cc(Br)ccc1C=Nn1cnnc1-c1ccccc1	779766291	DJTOTPSYDWODMK-UHFFFAOYSA-N	401.333	5.090	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1C#N	780693105	ZMDNRRJWDJWTMC-UHFFFAOYSA-N	424.791	5.025	30	20	HKED	
N#Cc1cnc2c(c1)CC/C(=C\c1csc(-c3cccc(Br)c3)n1)C2=O	788358010	UXZGPZOPRMTPIG-RIYZIHGNSA-N	422.307	5.052	30	20	HKED	
Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3sc4ccc(C#N)cc4c3C)o2)cc1	796611883	XJAIQXRFOCJBCF-CQSZACIVSA-N	403.463	5.358	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1cccc(OCC#N)c1	797435529	UFAUXXDDACJKMF-UHFFFAOYSA-N	402.237	5.112	30	20	HKED	
N#CC1(CCCSc2ncc(-c3ccccc3)n2CC(F)(F)F)CCOCC1	798367683	IHKYZKODMOMJCP-UHFFFAOYSA-N	409.477	5.305	30	20	HKED	
C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)c1nc(-c2cccc(C(F)(F)F)c2)no1	803833365	TXPSPQLXDDPIKX-SNVBAGLBSA-N	421.762	5.198	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cn2c(n1)CCCC2	806565254	LPPUIYBCPQSUJD-QXMHVHEDSA-N	405.885	5.021	30	20	HKED	
O=C(/C=C\c1nccn1Cc1ccccc1)c1c[nH]c2ccc(Br)cc12	811696974	IHDJCJIDABEOSJ-HJWRWDBZSA-N	406.283	5.071	30	20	HKED	
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3c(F)cccc3F)cc2)cs1)C1CC1	811697903	OCAFFOFQORRTPO-XFXZXTDPSA-N	424.472	5.500	30	20	HKED	
Cc1c(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)sc2ccc(C#N)cc12	815814127	XSSVVVGTJNPEEI-MJGOQNOKSA-N	408.523	5.183	30	20	HKED	
CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccc3SCC#N)n2)cc1	863971739	CPSZBDGFGBWNIN-UHFFFAOYSA-N	407.564	5.976	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc(-c3ccccc3)cc2Cl)c1	916897046	SNSFUDPAVYWWEL-FQEVSTJZSA-N	418.880	5.042	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)oc2c1ccc1ccccc12	916905958	OOLXQOVXDBIHEG-QGZVFWFLSA-N	402.837	5.509	30	20	HKED	
Cc1ccc(C(C)C)cc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	916927621	MOEJJKWECASKBA-MRXNPFEDSA-N	419.308	5.152	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	916945972	GYHPCNPHLYTLOQ-RBZYPMLTSA-N	407.219	5.009	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c[nH]c2cc(Cl)ccc12	918709540	PAUSSGYCUSAFGQ-UHFFFAOYSA-N	418.909	5.450	30	20	HKED	
FC(F)(F)c1nc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccccc2n1	918734819	AGOJYGWSLJBLOO-IUCAKERBSA-N	417.275	5.216	30	20	HKED	
COc1ccccc1-c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)no1	921010823	YUOGUTZGFQXYNW-UHFFFAOYSA-N	411.417	5.266	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccnc4C(C)(C)C)cc3)CCC2)C1	1788334720	BQWDSGKOUCPRJU-UHFFFAOYSA-N	417.553	5.093	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2Cl)CC1	1829859283	HUAQBPNMKDUYBB-IBGZPJMESA-N	420.981	5.159	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccncc1	6907600	PJFSIVPQMJFBLN-QFIPXVFZSA-N	412.518	5.242	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(C)cc2C)cc1	10169064	ZDHJGCWSRFSSQV-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)/C=C/c2ccccc2C#N)c1	23193811	KUFUWQFPWJIALA-UHPIZROJSA-N	423.516	5.320	30	20	HKED	
Cc1ccc(S(=O)(=O)c2ccc(CSc3nc(C)cc(C)c3C#N)cc2)cc1	32321465	HNQDPKLFVWELDA-UHFFFAOYSA-N	408.548	5.004	30	20	HKED	
N#C[C@H](C(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	41537953	WWIVKIDQMGTMSQ-CQSZACIVSA-N	418.261	5.515	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1	64714218	CIFZMUYONCTFKQ-GFCCVEGCSA-N	409.244	5.885	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl	303393633	PGGKVEBFDGBVOX-SJLPKXTDSA-N	413.974	5.831	30	20	HKED	
C[C@@H](NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1	437827828	IVLVVXYMWAOHAZ-HUUCEWRRSA-N	401.432	5.573	30	20	HKED	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(C#N)cc2C)c1	439055586	FJPMURJWSSFUHD-LJQANCHMSA-N	411.505	5.229	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1)c1ccccc1	440236284	FSKXCOAPLUXDJU-LEWJYISDSA-N	415.497	5.018	30	20	HKED	
CCc1noc(C)c1-c1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	445806957	CFCBZSDACUJOME-UHFFFAOYSA-N	406.829	5.580	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)c2)c1	460706982	CKHMCIBSIPUNQA-UHFFFAOYSA-N	411.436	5.524	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)[C@@H](C)c3cccc(C#N)c3)s2)cc1	462117977	AWEBTRHHYSCBSY-FUHWJXTLSA-N	403.551	5.622	30	20	HKED	
C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Oc1ccccc1F	463927767	BVPRBXSQJBUMJB-INIZCTEOSA-N	406.482	5.046	30	20	HKED	
CCn1ncc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C(F)(F)F	466505539	SCLXKPDIARVJDC-UHFFFAOYSA-N	414.387	5.032	30	20	HKED	
N#C[C@@H]1N(C(=O)CCCCc2ccc(Cl)c(Cl)c2)CCC[C@@]12CCCCO2	468653486	WBXIGZUTUBZOOP-FPOVZHCZSA-N	409.357	5.160	30	20	HKED	
CO[C@H]1CCOc2c(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cccc21	468691478	XNBBCENCTGYHKS-NRFANRHFSA-N	418.424	5.212	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1Br	468770351	AVDQRENBSDGLMA-HNNXBMFYSA-N	412.331	5.205	30	20	HKED	
C[C@@H](CCc1ccc(Cl)s1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	469206352	LPJRKCNMGXRTRX-HNNXBMFYSA-N	401.963	5.418	30	20	HKED	
COc1ccc(CNc2cc(Br)c(F)cc2C)cc1OCCCC#N	474021005	SLHOLSFUBZGEOL-UHFFFAOYSA-N	407.283	5.200	30	20	HKED	
C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(Br)cn1	475508022	HSLUIDSECCWKGS-MRXNPFEDSA-N	422.326	5.146	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1	475545209	AMYQGQIKHIAOSR-QFIPXVFZSA-N	406.505	5.322	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1	475550078	NLBXZVBWXQZNPQ-QGZVFWFLSA-N	411.512	5.277	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(CCC#N)CC(F)(F)F	482647611	ONJAYASATVQVNW-UHFFFAOYSA-N	411.427	5.057	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cnc2ccccc2n1	483219617	LQERIANSCMSEBE-AWEZNQCLSA-N	423.350	5.278	30	20	HKED	
Cc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1NC(=O)c1ccccc1F	483223530	DREGTFRBGSFCNB-NRFANRHFSA-N	423.447	5.425	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	486527637	KTPKDCCGKYUWIG-GOSISDBHSA-N	421.497	5.100	30	20	HKED	
CC(C)CCn1ncc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C(C)C	486907999	HBDASPJLQCYQPD-KRWDZBQOSA-N	413.591	6.091	30	20	HKED	
COC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1	488313106	ARBLDZAVYZHTDO-KSSFIOAISA-N	403.935	5.243	30	20	HKED	
Cc1ccc(NCc2cc(C#N)ccc2Br)cc1NC(=O)C(C)(C)C	492448188	ZTNPXGARHITHEJ-UHFFFAOYSA-N	400.320	5.226	30	20	HKED	
CN(CC(C)(C)C#N)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	497333788	KOHAKWAAMFIGNL-UHFFFAOYSA-N	403.891	5.021	30	20	HKED	
Cc1ccccc1-c1ccc(CN(C(=O)Nc2ccc(CC#N)cc2)C(C)C)s1	498841786	XFOUDGWTRRTIBE-UHFFFAOYSA-N	403.551	6.232	30	20	HKED	
Cc1nc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)sc1SCC#N	504729232	DJNRAMZFKCSMRT-VIFPVBQESA-N	418.396	5.493	30	20	HKED	
C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1	505016345	GCRQJURTMICZBD-HXUWFJFHSA-N	401.514	5.002	30	20	HKED	
Cc1c(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)sc2ccc(C#N)cc12	509143432	ZCMUMZVWSLJDTM-UHFFFAOYSA-N	408.433	5.012	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1c[nH]c2ccccc12	510332186	OXEVGRKDEZFNHI-UHFFFAOYSA-N	410.477	5.505	30	20	HKED	
CCCN(CC)Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1	511356383	VNPHBWWBDPVWLW-UHFFFAOYSA-N	418.566	5.090	30	20	HKED	
CC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)s1	513010809	KVUOFEKXMNYDLW-QWHCGFSZSA-N	421.975	5.002	30	20	HKED	
CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(COc2ccccc2C#N)c1	513507768	QXCZLUQKTLOINS-GOSISDBHSA-N	402.498	5.193	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)c1ccc(Cl)cc1	518756122	ZGMNCJAQAAYRSG-HNNXBMFYSA-N	401.963	5.834	30	20	HKED	
COCCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	520196896	IEVZJZDIORHDPP-UHFFFAOYSA-N	415.493	5.074	30	20	HKED	
CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H](C)c1ccc(C#N)cc1	520706685	FTFMHCRPTSLRJC-KRWDZBQOSA-N	413.452	5.585	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCOc1ccc2ccccc2c1	520858053	KRWDOPQKZLSSCJ-QGZVFWFLSA-N	405.523	5.292	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	521748141	MVMCQJHYPWLZKP-PGRDOPGGSA-N	421.610	6.605	30	20	HKED	
COc1cc(CNc2nc(C(F)(F)F)ccc2C#N)ccc1OCc1ccccc1	522409316	RSHNHAMVNFITIV-UHFFFAOYSA-N	413.399	5.172	30	20	HKED	
COc1cc(COc2ccc3c(c2)CCCC3=O)ccc1OCc1cccc(C#N)c1	522624084	ZCPKDMGSLXRBDD-UHFFFAOYSA-N	413.473	5.244	30	20	HKED	
N#C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C1CCCCC1	524534454	UURWUMCCUMCXCS-IBGZPJMESA-N	412.946	5.804	30	20	HKED	
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1	524767826	MZLXZNOCJMPEOL-BJKOFHAPSA-N	414.505	5.529	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC=C(C(F)(F)F)CC2)c1	534541161	VHPIPCOETIXHAC-UHFFFAOYSA-N	406.791	5.339	30	20	HKED	
Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C3)cs1	537871765	OQZARCIYUCSZDD-GOSISDBHSA-N	422.579	5.293	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)c(O)c2F)cc1Cl	541681631	JKZQWUWJXXCNGX-OAHLLOKOSA-N	416.786	5.371	30	20	HKED	
N#CCC1CCN(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1	542447126	PJWUYNKJIDSNRY-FQEVSTJZSA-N	402.325	5.418	30	20	HKED	
CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	542937481	NHYLWGVMFYKGQU-ZWKOTPCHSA-N	411.505	5.106	30	20	HKED	
O=C(CC1CCC(C(F)(F)F)CC1)N[C@@H](c1cccc(F)c1F)C(F)(F)F	544055847	HSAFQXOMYJEVSW-HEEBCNDISA-N	403.313	5.443	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	544117101	JACYTMIHLWKULB-SPEDKVCISA-N	423.582	5.111	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)N[C@H]3CCCc4cc(C#N)ccc43)s2)cc1	552922335	DFGQSHUZBFSLKE-NYHFZMIOSA-N	403.551	5.727	30	20	HKED	
N#Cc1cc(-c2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)ccn1	557514640	MUVWRCVHSTVDEW-UHFFFAOYSA-N	410.220	5.164	30	20	HKED	
CC(C)(CCC#N)CNC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1	557982075	KBDLPEXZDQQYOK-OAQYLSRUSA-N	400.975	5.609	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	558321463	FWYPZJZZCUANFD-KRWDZBQOSA-N	402.560	5.581	30	20	HKED	
N#Cc1cccc(COc2cccc(CN[C@H](CCO)c3ccc(Cl)cc3)c2)c1	568319619	MONBIMNLZAHAQK-XMMPIXPASA-N	406.913	5.004	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)c2c(C)noc2C)cc1	569156053	QEJSXSYIISHKHC-UHFFFAOYSA-N	420.469	5.021	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1	571233970	GLVNPGFBRABWNE-UHFFFAOYSA-N	417.465	5.190	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)ccn1	574369394	HQXWMTAMXIUZQK-DNQXCXABSA-N	423.476	5.049	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1	588665514	IKRGDSIAVXMGLE-OAQYLSRUSA-N	413.443	5.186	30	20	HKED	
C=CCOc1ccccc1CNC(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1	600897059	PETHQKHARBAHAD-UHFFFAOYSA-N	401.510	5.040	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1Cl	603657659	ARPYRCUUZHPBHC-NRFANRHFSA-N	412.965	5.346	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-n3cccc3)cc2)cc1	604003877	OIUBTVRYJCLRFU-UHFFFAOYSA-N	407.473	5.375	30	20	HKED	
CC(C)(C)c1nc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cs1	608846963	AHGQRQPOOPTXKK-UHFFFAOYSA-N	405.523	5.072	30	20	HKED	
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	609046781	LZLOXKMQIZZLPG-QFIPXVFZSA-N	413.477	5.728	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)cc2)c1	609064503	AGXQILUEUIEBDN-UHFFFAOYSA-N	415.880	5.453	30	20	HKED	
Cc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1	609080256	VLWRSXSDLXJGCP-UHFFFAOYSA-N	405.523	5.480	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4cnco4)cc3)cc2F)c1	609105469	ZDTJSPLZJTYKHV-UHFFFAOYSA-N	413.408	5.184	30	20	HKED	
Cn1c2ccccc2c2cc(S(=O)(=O)Nc3ccccc3SCCC#N)ccc21	609379793	DXBSKXZHIKHHEI-UHFFFAOYSA-N	421.547	5.138	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccccc1SC[C@@H](C)C#N	609387666	CAEGKVPSKGIBQB-DZGCQCFKSA-N	417.962	5.348	30	20	HKED	
Cc1ccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)cc2Cl)cc1	609396803	IGWXVTVQOLJNSR-JOCHJYFZSA-N	407.876	5.765	30	20	HKED	
COc1ccc(C2(NC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCC2)cc1	609398654	HYXFOVCXRWVKST-KRWDZBQOSA-N	409.555	5.538	30	20	HKED	
CC(C)COC[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccco1	609503348	QNPYIMUPZYBUEL-HSZRJFAPSA-N	418.493	5.282	30	20	HKED	
CC(C)c1ccccc1-n1ccnc1SCc1nnc(-c2cccc(C#N)c2)o1	610219334	JYUFOIVTOXQZDW-UHFFFAOYSA-N	401.495	5.210	30	20	HKED	
C[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(Br)s1	610387544	FVOCBHUZFRJXKA-NXEZZACHSA-N	409.374	5.311	30	20	HKED	
O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Nc1ccc2c(cnn2C(F)F)c1	618587944	DYVOTZIVVPRFAL-UHFFFAOYSA-N	423.248	5.132	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)c1nc2ccccc2o1	620304339	UMQPUSBQJYKQLB-QGZVFWFLSA-N	406.800	5.903	30	20	HKED	
O=C(c1ccc(C(F)(F)F)cc1Cl)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	678731253	MKINPFCRMJUQDP-DTORHVGOSA-N	413.667	5.172	30	20	HKED	
Cn1cc([C@@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccc(F)c2)cn1	679331898	QKFWVPZPDGMSHH-ABFRBSLYSA-N	423.376	5.148	30	20	HKED	
N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2ccccc2s1	726318747	PUWBQVIHNSXBAR-ACBHZAAOSA-N	423.582	5.118	30	20	HKED	
CCN(C[C@@H](C)C#N)Cn1nc(-c2ccccc2)n([C@@H](C)c2ccccc2)c1=S	726960451	AUGZLJPIEXSSDR-OALUTQOASA-N	405.571	5.129	30	20	HKED	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1cnc2c(c1)c(C)nn2C	727655325	VOZPPFXETMOIKJ-WTKPLQERSA-N	408.914	5.258	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=S)NCc3ccccc3)cc2Cl)c1	727978421	KPQMRRRYTXBZDY-UHFFFAOYSA-N	407.926	5.277	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SCC#N	728028574	MWTKJZBHLKQKBM-UHFFFAOYSA-N	413.502	5.314	30	20	HKED	
Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)no1	728119253	MAAZBEDHTZNTRG-QHCPKHFHSA-N	416.481	5.111	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cc1	728696966	BWTMDWZFYDPTMA-HUJBZGQLSA-N	401.437	5.592	30	20	HKED	
Cc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2nccn2CC(F)(F)F)CC3)cc1	728699389	TTZFKFBFFXOTMF-GXDHUFHOSA-N	403.429	5.090	30	20	HKED	
Cc1nc(-c2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)no1	730171062	OQYCEOYMXXVWPK-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	731114078	FHBWMNYAQHFHOP-KRWDZBQOSA-N	421.522	5.471	30	20	HKED	
CC(C)c1ccc(-c2ncc(COC(=O)Cc3ccc(OCC#N)cc3)s2)cc1	732364216	QORRLCOGHUGAAI-UHFFFAOYSA-N	406.507	5.122	30	20	HKED	
Cn1cc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1	732571803	UEFVZEDOPBLPQF-XFXZXTDPSA-N	416.462	5.015	30	20	HKED	
Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1	735790658	ONUOTNQLWIFOGT-KRWDZBQOSA-N	400.507	5.031	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1Cl)c1ccncc1	740481508	YOFSYSABMPNIRE-DHIUTWEWSA-N	421.928	5.450	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)N[C@@H]1CCc2ccccc2C1	742987582	DEHXAVMXZBWEIS-OAQYLSRUSA-N	413.546	5.503	30	20	HKED	
C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1cccc(C#N)c1	743150255	QLUGLIYNMJBRBY-INIZCTEOSA-N	420.513	5.129	30	20	HKED	
Cc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N(C)C)cc1	743294621	QRQBEQIWWHJXPE-RPBOFIJWSA-N	412.537	5.075	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)s1	743626633	YLYVRCZGWQRMOX-HNNXBMFYSA-N	424.595	5.517	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F	744031985	FXZUTGJLNCHASX-MSKHEQNASA-N	424.781	5.249	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)COc2ccc(OCc3ccccc3)cc2)n1	747193753	OMVGEPHYWAMBHI-HXUWFJFHSA-N	406.507	5.101	30	20	HKED	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	752238466	QBSKOZVRWPEHAF-MGPUTAFESA-N	407.495	5.046	30	20	HKED	
C=CCN(CCc1ccccc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C	754470436	MAJWVYYZNMEFRZ-UHFFFAOYSA-N	409.530	5.605	30	20	HKED	
C=C(C)Cn1c(-c2ccncc2)nn(CN(C)C/C(C)=C/c2ccccc2)c1=S	754859058	UEWJPJMFBKHRMV-XMHGGMMESA-N	405.571	5.045	30	20	HKED	
N#Cc1ccc(NC(=S)Nc2ccc(Cl)c(Br)c2)cc1Cl	755725992	PWFMSXGVTLPNDO-UHFFFAOYSA-N	401.116	5.436	30	20	HKED	
O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1cc(Br)ncc1F	762426266	OTLIPKAVQXDCEZ-AATRIKPKSA-N	423.694	5.656	30	20	HKED	
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSCc1cc(Cl)ccc1OCC#N	762815356	YLPMBSSEVBIFOI-CQSZACIVSA-N	423.365	5.349	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1	764201394	QDTFNLPMVKIFNS-UHFFFAOYSA-N	421.840	5.146	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc2[nH]ccc2c1)C(=O)Nc1ccccc1Oc1ccccc1	765916955	WFYLXKLFXAGCIC-JNSUZQQQSA-N	421.456	5.321	30	20	HKED	
N#C[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccc(OC(F)(F)F)cc1	768140148	LLMLYSVPIGUHRW-LBPRGKRZSA-N	423.605	5.540	30	20	HKED	
COCCOc1c(Cl)cc(NCc2ccc(C#N)cc2OC(F)F)cc1Cl	773207136	AOTRPUPFHUQBQR-UHFFFAOYSA-N	417.239	5.104	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@H](C#N)c3nc4ccccc4o3)cccc21	778611129	BJVHWDPGRSGBKY-KRWDZBQOSA-N	417.465	5.006	30	20	HKED	
Cc1nc(C(C)C)sc1C(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787054360	UFVYDKVMOPBZFO-QMTHXVAHSA-N	424.353	5.082	30	20	HKED	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNc1ccc2c(=O)[nH]ccc2c1	789062697	QKERKSUISVHLKL-UHFFFAOYSA-N	419.488	5.135	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(OC)c(N2CCOC2=O)c1	789456271	OSCCMTQARKYUKE-UHFFFAOYSA-N	409.486	5.148	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1	798008210	CWSNTZLENYDNEQ-WOIUINJBSA-N	403.432	5.298	30	20	HKED	
N#CC1(c2ccccn2)CCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CC1	800119812	ZNKHFBUTRHODGB-PKNBQFBNSA-N	417.509	5.046	30	20	HKED	
N#C[C@H]1CC[C@@H](COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1	809090189	FSDOUNKUGKFJPO-OKILXGFUSA-N	407.297	5.454	30	20	HKED	
C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H]1c1ccc(O)cc1	809912063	KSSMRSPTMZZNFA-QHCPKHFHSA-N	411.509	5.035	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4ccc(F)cc4)CC3)cc2)ccn1	810280868	OVGSNNUKJIDGCT-UHFFFAOYSA-N	416.456	5.296	30	20	HKED	
C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1ccc(C(F)(F)F)nc1Cl	817863173	WNIIJVVUAYTRDN-ZETCQYMHSA-N	414.708	5.403	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(-c3ncc4n3CCCC4)cc2)c1	864003495	BJSAOEHXCVACPG-UHFFFAOYSA-N	407.315	5.133	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)nc2ccccc21	916627400	RPMNACSPBAHXTE-KJCUYJGMSA-N	401.466	5.191	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(CN3CCCCC3=O)cc2)sc2c1CCCCCC2	917782768	AGPFRIZYBBOFEJ-UHFFFAOYSA-N	421.566	5.044	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)COc1ccccc1	919908659	GWJPHZDLSHRDFP-GOSISDBHSA-N	401.466	5.248	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1	920344963	VNTRBQMEZDHROK-RUZDIDTESA-N	405.457	5.782	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC)c3)cc2)CCC1	1790272248	OQPUOOPVBJLMFY-HSZRJFAPSA-N	418.537	5.211	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc[nH]c4c3)CCC2)cc1	1791247704	GREORJMHTAKVNJ-QGZVFWFLSA-N	401.510	5.128	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)CC1	1832889947	WYJLHBIVGDJRIC-BWKNWUBXSA-N	422.613	5.178	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(Cl)c2)cc1	10830973	AZPCFGZDSIEVLT-UHFFFAOYSA-O	423.989	5.858	30	20	HKED	
Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2)c(C)s1	11265203	MSEXLPPQWSWXFJ-UHFFFAOYSA-O	409.600	5.827	30	20	HKED	
COc1ccc2cc([C@H](C)C(=O)NCC#Cc3cccc(C(F)(F)F)c3)ccc2c1	22358621	GRQDWWBMWZYVTG-INIZCTEOSA-N	411.423	5.139	30	20	HKED	
C=CCN(C(=O)c1ccc(C(F)(F)F)nc1C)c1nc(-c2ccccc2)cs1	24641149	VTKJNTBDDXCLLF-UHFFFAOYSA-N	403.429	5.365	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	41514483	ONSBPNSPTWZBKZ-IBGZPJMESA-N	418.909	5.198	30	20	HKED	
N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3	46706977	CEORBZAQVRNCGZ-LLVKDONJSA-N	418.305	5.073	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	51677771	DAVQRGDYFBDAQJ-AWEZNQCLSA-N	417.412	5.154	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2s1	60477172	HMDKFVVNTLIZEF-LBPRGKRZSA-N	414.330	5.824	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(CN2CCCCCC2)c1	64237867	AMJMDDHTWMWJHR-UHFFFAOYSA-N	418.585	5.056	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3occc3COc3ccccc3)cc2)cc1	66037449	NLQBHJLWQQQWOT-UHFFFAOYSA-N	410.429	5.775	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(C)cc(C)cc3C2=O)cs1	141664395	IMMDZWYKWGHFJJ-WOJGMQOQSA-N	418.518	5.412	30	20	HKED	
Cn1c([C@H](C#N)C(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)nc2ccccc21	195727823	IWYLKGAJVHRAKI-AUSIDOKSSA-N	415.880	5.223	30	20	HKED	
Cc1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	303104264	DINVMDIRKQPHLS-GOSISDBHSA-N	418.909	5.448	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)c1	303139442	DJKCZAYEWPQUIH-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2C(C)C)cc1	303297396	NWONFVVPTZIRBG-GOSISDBHSA-N	418.566	5.808	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1	303349497	DUWNHDPBZIDDHB-QGZVFWFLSA-N	416.333	5.349	30	20	HKED	
O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303653872	FSNABJOBUHTXIX-CQSZACIVSA-N	412.349	5.193	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCCC23CCOCC3)c1	409806872	VQMCXLRWDYGROE-NRFANRHFSA-N	410.901	5.083	30	20	HKED	
CC(C)c1nn(C)cc1-c1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1	426204282	FIWFNCDMQYHMRC-UHFFFAOYSA-N	403.417	5.064	30	20	HKED	
COc1cc(Cl)c(Br)cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	429114738	MPIYOCXELSYCAX-JTQLQIEISA-N	413.724	5.181	30	20	HKED	
C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cn1	429430711	VIOBRYPZIBXKSP-OAHLLOKOSA-N	419.460	5.088	30	20	HKED	
CCc1ccc(-c2noc([C@@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)n2)cc1	431279536	GMHMJSAFVIVKAQ-DYESRHJHSA-N	417.513	5.094	30	20	HKED	
Cc1cccc(Cc2cnc(NC(=O)CN[C@H](CCCC#N)c3ccccc3)s2)c1	433030031	IPZXPHJXXNCQEB-JOCHJYFZSA-N	418.566	5.006	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccccc1	433161727	SBOQHJFPRHJXTC-QHCPKHFHSA-N	423.582	5.655	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433656804	QGZLSUXBSSQXNT-LJQANCHMSA-N	407.411	5.010	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](CC(F)(F)F)C1	434160379	CHJUDCWIYZAPDK-MRXNPFEDSA-N	403.404	5.465	30	20	HKED	
CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1C#N	435555468	YDZPCEJVCMNBBT-SFHVURJKSA-N	406.511	5.324	30	20	HKED	
CS[C@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1	435600212	ZJFQNEFBKHOJNO-NRFANRHFSA-N	409.555	5.195	30	20	HKED	
N#Cc1ccc(S(=O)(=O)Cc2nc(C3CCCCC3)cs2)cc1C(F)(F)F	435693134	SOUJXXPQLKQEIG-UHFFFAOYSA-N	414.474	5.055	30	20	HKED	
N#Cc1ccnc(NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)c1	436008253	QBRSXOHFKRWDAS-UHFFFAOYSA-N	417.387	5.515	30	20	HKED	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	437880958	ZMEHMFOZMPBKKS-ACJLOTCBSA-N	421.394	5.253	30	20	HKED	
CCCc1c(NC(=O)N(Cc2ccc(F)cc2)C(C)C)cnn1-c1cccc(C#N)c1	439669929	XZZGXRDZTWLZFG-UHFFFAOYSA-N	419.504	5.278	30	20	HKED	
CC(C)(C)c1noc(COc2ccc(Oc3ccc(C(F)(F)F)c(C#N)n3)cc2)n1	443507792	HJBLCJARHTVNCF-UHFFFAOYSA-N	418.375	5.024	30	20	HKED	
COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1F	445004068	LLKLCUZREGKDNG-UHFFFAOYSA-N	407.420	5.079	30	20	HKED	
CCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1ccc(C#N)cc1	461526374	SQOGODLFSRPCNN-UHFFFAOYSA-N	411.914	5.222	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)cc2Cl)cc1C	465452506	MMBYFNCRMMCBIE-UHFFFAOYSA-N	413.308	5.640	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1COc2ccc(F)cc21	467148564	BPXZOTVREBAGRE-NRFANRHFSA-N	403.413	5.053	30	20	HKED	
Cc1nnc(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2)o1	468741453	BBTVZAWXPAUEKD-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
C[C@@H](O)C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1	469683864	MHDFGVIADIEEBQ-WIYYLYMNSA-N	415.493	5.027	30	20	HKED	
C=CCC[C@H](NC(=O)c1ccc(NC(C)=O)c(F)c1)c1ccc(C(F)(F)F)cc1	469688285	AUZHOSLTDHJGHP-SFHVURJKSA-N	408.395	5.240	30	20	HKED	
COc1ccc(CNc2cc(F)c(Br)cc2C)cc1OCCCC#N	472080192	MCFOPPHZIIRCPW-UHFFFAOYSA-N	407.283	5.200	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)NC3CCN(C4CCCCC4)CC3)cc2)cc1	473550717	LPTQKWUJDZNWBY-UHFFFAOYSA-N	417.553	5.072	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2OCCOc2ccccc2)n1	474432953	LTABPBHTFURPDU-LJQANCHMSA-N	406.507	5.214	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H](CC#N)c2ccccc2)cc1	475020164	YHJRMGJPUVEVDA-QFIPXVFZSA-N	409.489	5.358	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	475570717	CSKHZBBOLQNSPU-KKSFZXQISA-N	421.541	5.531	30	20	HKED	
CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	475662982	SPYUXNJRMJVJQA-HFZDXXHNSA-N	415.512	5.555	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1N1CCCCC1	477584613	FLQOQRQSVFOMLS-GOSISDBHSA-N	408.571	5.250	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	482444849	HEJJZRZMONTMKW-ABKXIKBNSA-N	408.317	5.249	30	20	HKED	
N#C[C@@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1nccc2ccccc12	483239430	SOKAHJIUXLVTDQ-QGZVFWFLSA-N	407.351	5.399	30	20	HKED	
N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nccc2ccccc12	483240640	ULOUTAXNGZUJMP-DEOSSOPVSA-N	418.452	6.050	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c2)cc1	484989696	DHGHIRKXKVLUAI-UHFFFAOYSA-N	420.472	5.156	30	20	HKED	
N#CCCC[C@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1	487571700	XYRUQFJLYLHOQB-DEOSSOPVSA-N	424.504	5.078	30	20	HKED	
N#CCC[C@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1	502158243	ZIXNJRVNCHZSRA-GMAHTHKFSA-N	418.928	5.363	30	20	HKED	
CC[C@@H]1C[C@]1(NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C)c1	502561481	CMBVOPRKWKMWLW-XLNZFTOWSA-N	407.583	5.243	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(-c2ccccc2)c(C)c1	502679736	MTYGINPOPPXIBO-UHFFFAOYSA-N	404.510	5.035	30	20	HKED	
Cc1c(CSC(C)C)cccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	503362714	RRZWFQRCPZDDDG-UHFFFAOYSA-N	404.539	5.255	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c[nH]c2cccc(C)c12	504687265	OPOXRWCSPGRTHT-UHFFFAOYSA-N	415.306	5.135	30	20	HKED	
CCOc1ccc(-c2nc(CSCCCC3(C#N)CCOCC3)cs2)cc1	507693768	IKNFVCJAAIYFTD-UHFFFAOYSA-N	402.585	5.543	30	20	HKED	
CC1(C#N)CCN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)CC1	507830312	ODIODKHLLPJBKB-UHFFFAOYSA-N	408.885	5.431	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1	511372528	IUMYOQRESRUQOL-WTGOJFTASA-N	415.537	5.278	30	20	HKED	
N#Cc1ccsc1NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1	512389093	FPYLOVZEFGDAJI-UHFFFAOYSA-N	417.259	5.566	30	20	HKED	
Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C(C)(C)C)n1	512880638	WIXIYLPIAZIKMK-GOSISDBHSA-N	406.917	5.279	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C(C)C)n1	513283947	ICSOAUCAUDJJSW-UHFFFAOYSA-N	420.900	5.265	30	20	HKED	
C=CCN(C(=O)c1cncc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	515609440	DQGPASQQDUPYLD-UHFFFAOYSA-N	416.462	5.099	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)n2)cc1	516269985	IJXUTHMHKLXQBB-HXUWFJFHSA-N	422.513	5.532	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc(-c2ccncc2)cs1	516332184	BLJUAIKAHJOQQE-NRFANRHFSA-N	411.486	5.274	30	20	HKED	
CC(C)CCOC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1	517126611	RNYFZOKDSUPEIM-UHFFFAOYSA-N	407.514	5.410	30	20	HKED	
Cc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2[nH]c(C)c(C)c2c1	518683065	HHLXVRPCHDUTIA-HNNXBMFYSA-N	406.555	5.667	30	20	HKED	
CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](C)c1ccccc1OC	518906408	DHBAQEARRYYSAC-GOSISDBHSA-N	415.493	5.368	30	20	HKED	
N#Cc1ccc2ncc(CN[C@@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)n2c1	520623268	IXROYDUXTABJKH-QFIPXVFZSA-N	407.304	5.392	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(Cl)cc1	520837314	QLSADGHJYYGYCA-UHFFFAOYSA-N	414.836	5.382	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)c1ccc(Cl)cc1	521260382	CJXIHQNNABBBKF-OAHLLOKOSA-N	401.963	5.691	30	20	HKED	
N#C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(Cl)c(Cl)c1	521885926	AVJMBXLCSORIED-HNNXBMFYSA-N	424.740	5.570	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)c2)cc1	522314291	WVIDADCMPGZWLU-SANMLTNESA-N	419.484	5.052	30	20	HKED	
COc1cc(C)c([C@H](C)NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1OC	523140428	PYDLKBZYWNRXOG-KRWDZBQOSA-N	415.493	5.119	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)cc1	523420835	CHHRBUMXMALJTK-IRLDBZIGSA-N	417.553	5.219	30	20	HKED	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1	524490830	BRTSBEHZPDMUMP-MRXNPFEDSA-N	406.432	5.249	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	525050384	UTYBXCMIQGSWTD-CQSZACIVSA-N	415.946	5.581	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl	533646887	FZWOBYXIFQUOQO-OAHLLOKOSA-N	407.926	5.906	30	20	HKED	
CC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C	534131582	QDEKFDIYSQDWAD-UHFFFAOYSA-N	419.868	5.523	30	20	HKED	
COCc1c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)sc2cccc(F)c12	534520201	SKSAZRRKWNTEFR-UHFFFAOYSA-N	402.516	5.670	30	20	HKED	
N#CC1(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CCSCC1	535957929	CIXXZTNOMCMPBP-UHFFFAOYSA-N	402.972	5.151	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1	537413883	ZXFGOJQRYMYHEM-UHFFFAOYSA-N	407.473	5.253	30	20	HKED	
C=CCC[C@@H](NCc1noc(Cc2ccccc2)n1)c1ccc(C(F)(F)F)cc1	539335100	VGWSEXYAEPRWBG-LJQANCHMSA-N	401.432	5.476	30	20	HKED	
CC(C)CN(C(=O)c1cccc(CC#N)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1	540449975	KPDKSHSESFVIET-UHFFFAOYSA-N	420.494	5.087	30	20	HKED	
CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C)cs1	543889888	HJRDFQGKJULDIW-KKSFZXQISA-N	404.539	5.502	30	20	HKED	
COc1ccc(CNC(c2ccccc2C)c2ccccc2C)cc1OCCCC#N	544842154	FPDWLJDKEULIHF-UHFFFAOYSA-N	414.549	5.874	30	20	HKED	
CC[C@H](CC#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1	546571557	PGBWMXJUZGTGFT-CYBMUJFWSA-N	405.285	5.059	30	20	HKED	
CCc1nc2cc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc2n1C1CC1	549196663	JSBNELLDJZVZHP-UHFFFAOYSA-N	401.514	5.056	30	20	HKED	
C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1	549687886	JHFFDWFJWUBSLO-MRXNPFEDSA-N	400.954	5.120	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	554877212	XUQPVKSSQISOSN-RHSMWYFYSA-N	411.493	5.525	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC(C)C)c1	559094512	BFDZQSBKAIKLMG-UHFFFAOYSA-N	409.578	5.075	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCC(=O)c1csc2ccccc12	561241410	SUFMQKHDYLTEIW-UHFFFAOYSA-N	409.555	5.247	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCc2nc3ccccc3o2)c1	571960743	SNMJLYWBISOFTE-UHFFFAOYSA-N	417.852	5.118	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1	574961359	BYYAZDDLQXUWQJ-UHFFFAOYSA-N	406.461	5.180	30	20	HKED	
N#CC1(c2ccccn2)CCN(Cc2ccc(-c3cccc(Br)c3)o2)CC1	575332673	CXWPYDKMILQNLS-UHFFFAOYSA-N	422.326	5.161	30	20	HKED	
N#CCc1ccccc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1	579401549	QKYUFCJXNBDRHH-UHFFFAOYSA-N	412.514	6.185	30	20	HKED	
CC(C)CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1F	588224523	BUPVTNANDZDEAE-UHFFFAOYSA-N	410.518	5.206	30	20	HKED	
Cc1c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)sc2ccc(C#N)cc12	589984290	FQGOMEFPDMYCHO-SEJPIABJSA-N	415.562	5.007	30	20	HKED	
O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F	591134776	SAGQOLWETMWYKP-UHFFFAOYSA-N	411.273	5.089	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1Cl	603657660	ARPYRCUUZHPBHC-OAQYLSRUSA-N	412.965	5.346	30	20	HKED	
COc1ccc2c(c1)c(C(=O)[C@@H](C#N)c1nc(C)cs1)c(C)n2Cc1ccccc1	606753884	OQKLFFGESWEERC-HXUWFJFHSA-N	415.518	5.262	30	20	HKED	
CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1cc(C#N)cn1C(C)(C)C	608782551	ZVBVADXLIUAUIY-UHFFFAOYSA-N	423.492	5.005	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)CCCCc2ccc(Br)cc2)c1	609066766	KHLLLYXEEJDYAC-UHFFFAOYSA-N	423.257	5.274	30	20	HKED	
COc1ccc2cc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1	609432962	KMCDUZHMPLPSAR-INIZCTEOSA-N	405.523	5.564	30	20	HKED	
COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	609506185	UTEMZAWSLRFJMK-JOCHJYFZSA-N	413.477	5.122	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	609523242	GREHPOWHFIAFQA-CPUCHLNUSA-N	413.226	5.497	30	20	HKED	
Cc1c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1ccccc1Cl	609563200	XIHNVSRYNDPAGL-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
N#Cc1cccc(OCc2cccc(C(=O)N(Cc3cccc(F)c3)C3CC3)c2)c1	609641745	OACYSLPELJMIPB-UHFFFAOYSA-N	400.453	5.081	30	20	HKED	
CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	609722465	GTZQKKADFBRPLC-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
CC(=O)CCc1ccc2oc(C(=O)Nc3cccc(OCCCC#N)c3)c(C)c2c1	614761577	QIUAPVIRMJPFER-UHFFFAOYSA-N	404.466	5.198	30	20	HKED	
Fc1ccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Br	618448337	VYHLEUNMEQLGIX-AOOOYVTPSA-N	408.155	5.151	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(NC(=O)c2cccs2)cc1	640543360	KJMMHYVUJYOJAZ-UHFFFAOYSA-N	423.497	5.048	30	20	HKED	
C[C@@H]1CCCCN1CCOc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1	672579980	JKMNTQSHKXTFBG-MJGOQNOKSA-N	419.550	5.040	30	20	HKED	
C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3cccs3)C2=O)cc1OC	726630809	XPWTZFYBPXILCE-FDIDITGRSA-N	417.577	5.284	30	20	HKED	
CC(C)Cc1ccc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)c2cccs2)cc1	728713151	ONRSCXYQJSWQRA-CLOONOSVSA-N	404.579	6.117	30	20	HKED	
CC(C)c1ccc(C=NOCc2noc(Cc3ccc(Br)cc3)n2)cc1	732193689	BVXSOSYDXBNIDF-UHFFFAOYSA-N	414.303	5.097	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(Cl)cc1Br	733219971	ASZMWKMXXVEJET-GFCCVEGCSA-N	423.763	5.535	30	20	HKED	
Cc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(Br)c1	734082945	JPGYHEUCQOHZNI-APHBUQMISA-N	424.323	5.166	30	20	HKED	
COc1cc(/C=C\C(=O)c2cccc(Cl)c2Cl)cc(Br)c1O	734982147	XROBFCGOUJHBDX-WAYWQWQTSA-N	402.071	5.366	30	20	HKED	
C[C@@H](Cc1ccccc1F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	739154017	AVDFBASVEOVKDM-FZMZJTMJSA-N	406.404	5.509	30	20	HKED	
CCOc1c(OC)cc(/C=C/C(=O)c2ccc(-c3ccccc3OC)cc2)cc1OC	741469737	MKMOVDVGBVBPTM-XNTDXEJSSA-N	418.489	5.674	30	20	HKED	
CCOc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1	742995714	QUKUREIXBVOFOK-UHFFFAOYSA-N	403.507	5.345	30	20	HKED	
O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CCOc2ccc(Br)cc21	743058457	ZVGNFEZHDPRCMC-RVDMUPIBSA-N	423.266	5.080	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1	743214346	JSJVXJQBVDOBRQ-GOSISDBHSA-N	411.477	5.150	30	20	HKED	
C[C@@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030892	NRQZMKGYCNPZMA-LRDDRELGSA-N	407.272	5.049	30	20	HKED	
N#C[C@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1	744116562	RQELDPCSKBDSON-TZIWHRDSSA-N	414.505	6.028	30	20	HKED	
COc1cc(C=NO[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)ccc1OC(C)C	747827988	PVLZVZFHDUZQTO-AWEZNQCLSA-N	415.877	5.298	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)nc12	750725383	SQIMXNSIHBXQCR-QLBOMPFWSA-N	402.454	5.024	30	20	HKED	
CC(C)CN(CCC#N)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1	751373785	HGRJTUJCTFLJFF-OAHLLOKOSA-N	405.951	5.015	30	20	HKED	
CC(C)CN(CCC#N)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	751380886	QIEXRDJUDASNTH-UHFFFAOYSA-N	418.324	5.258	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1	755881993	KADIUAXXEHLGDV-OAQYLSRUSA-N	421.541	5.255	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ccc(F)c(F)c3)n2)cc1	756242618	HPXCPNKVQZXEOA-KRWDZBQOSA-N	412.461	5.296	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1	760797313	IEKADPDKOHOROO-UHFFFAOYSA-N	414.358	5.666	30	20	HKED	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1	766793577	IRJCZPPJBARVTB-XFXZXTDPSA-N	414.248	5.062	30	20	HKED	
CC(C)(C#N)CCCCOC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	768456924	CEFVLGRGDNHMBV-UHFFFAOYSA-N	412.490	5.012	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3cc(SC(F)F)ccc32)c1	775412115	ZOEHGRWKWUMPTK-UWJYYQICSA-N	402.510	5.849	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)n1	777326528	UVDYYPROUWPFJM-IDCNUPLLSA-N	417.575	5.011	30	20	HKED	
N#CCOc1ccc(Cl)cc1COC(=O)c1cnc(-c2ccc(F)c(F)c2)s1	780193920	YYFPOWXWLUXOCX-UHFFFAOYSA-N	420.824	5.001	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1	781505776	BHTYFTWICTYLID-LBPRGKRZSA-N	412.864	5.847	30	20	HKED	
Cc1cc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)n(C)n1	789156481	OVDUHYBFDKZQMP-RMKNXTFCSA-N	414.292	5.184	30	20	HKED	
N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nccc2ccccc12	792103413	JXQSAXSJWGDAHQ-QMZVGCPSSA-N	409.327	5.145	30	20	HKED	
CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)cc1OCC	792925970	ODNLWTAGOGSRCU-KPKJPENVSA-N	415.917	5.125	30	20	HKED	
C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1	795993591	VJLJKUKLOQZTTM-UGKGYDQZSA-N	412.489	5.311	30	20	HKED	
C=CCCc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1	800578077	LHAYQBOCDNEAES-QFIPXVFZSA-N	406.551	5.634	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1cccc(-c2ccc(Br)cc2)c1	804162790	SROFVXLEUXJFPQ-UHFFFAOYSA-N	423.335	5.984	30	20	HKED	
C[C@@H](O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1F	804790600	BUIXSYNMSXADBX-CYBMUJFWSA-N	410.832	5.449	30	20	HKED	
C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(Oc2cccnc2)cc1	806607762	PYLVSRIINADMJA-CQSZACIVSA-N	408.914	5.447	30	20	HKED	
N#CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	814275525	ZIXFCYWAZCCLQH-LFIBNONCSA-N	420.437	5.014	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc4ccccc4c3O)c(=O)c2c1-c1ccccc1	814737133	XWVLUOUAXGADPD-UHFFFAOYSA-N	411.486	5.174	30	20	HKED	
CCOc1ccc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1	915105172	ZTYOHUKWUBHPNT-HNNXBMFYSA-N	404.413	5.133	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3cc4ccccc4c(Cl)n3)cn2)c1	915175292	VJUWYABXQZKWIS-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1F	916136395	LLBFBEOOXQZKTN-FLIBITNWSA-N	414.263	6.281	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	916681594	UKSMKPUWSDZZQJ-HTAPYJJXSA-N	403.913	6.220	30	20	HKED	
Cc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1	916897527	NIZSOHXCBPYHJF-SINXNMPMSA-N	420.921	5.738	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl	917749222	ANPRHDIWZMWJEP-ZFWWWQNUSA-N	421.349	5.250	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)/C=C\c2ccc3ccccc3n2)cc1	918628398	CQCHPFBZFDJTOK-PFONDFGASA-N	421.475	5.488	30	20	HKED	
Clc1ccc(OCc2nc(C=NNCc3cccc4cccnc34)cs2)cc1	918711895	BBSAUOJWYPVARE-UHFFFAOYSA-N	408.914	5.047	30	20	HKED	
Cc1cc2ccccc2n1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	920806826	QUYCZGOKBDAPSO-OAHLLOKOSA-N	407.445	5.228	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)ccc3F)CCC2)cc1	1789456047	JJIAHABWUIOTJV-FQEVSTJZSA-N	422.500	5.047	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)CCC1	1790680602	LGAOALRNQJZWAT-UHFFFAOYSA-N	417.553	5.001	30	20	HKED	
C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1	1791576054	SOKYYBRHQZSZKK-LBPRGKRZSA-N	416.593	5.029	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1	1824142060	FBPOTLSPTSWBQV-JOCHJYFZSA-N	418.597	5.047	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)CC2)CC1	1832372083	QBUQHSNJWJQLLY-TWDDROGUSA-N	414.634	5.201	30	20	HKED	
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccccc1OC	5319430	CYCFMKNLKKIFDC-OAHLLOKOSA-N	419.510	5.043	30	20	HKED	
COc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)cc1	6515583	YVNCFHUYXXWSOC-UHFFFAOYSA-O	419.570	5.331	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(C)cc1C	10169073	UDMWDYNLGOUILH-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)[nH]c1C)[n+]1ccccc1CC	23604504	IEONUMLCHUMQSU-UHFFFAOYSA-O	406.575	5.095	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1	29202558	RPEDPNYPKFJAPT-QFIPXVFZSA-N	417.534	5.466	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1-c1ccco1	29549216	IITJFPCXJGSUDH-UHFFFAOYSA-N	410.524	5.149	30	20	HKED	
C=CCn1c(S[C@H](C)c2nc(C)no2)nc2sc(-c3ccccc3)c(C)c2c1=O	31751250	WNPZDTZFKDHIAI-CYBMUJFWSA-N	424.551	5.164	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(C#Cc4ccccn4)c3)o2)cc1	42622170	WPFRUWMCUCFDES-UHFFFAOYSA-N	407.473	5.016	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1Cl	46861794	OROZKWZEVSOCQU-MRXNPFEDSA-N	417.242	6.179	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CSCc1ccc(C#N)cc1	53426427	XDBLXQRJXBAPFK-OAHLLOKOSA-N	407.564	5.101	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1ccsc1	56800396	CISCWSVADGFJPU-JOCHJYFZSA-N	403.507	6.090	30	20	HKED	
C=CCn1c(SCCC(C)(C)C#N)nc2scc(-c3cccs3)c2c1=O	97599247	LOGKXXCQGMREKD-UHFFFAOYSA-N	401.582	5.404	30	20	HKED	
C[C@H](Nc1ccc(NC(=O)COc2ccccc2C#N)cc1Cl)c1ccccc1	109571747	ZYHQJYYQVQGXKN-INIZCTEOSA-N	405.885	5.402	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2c(C)noc2n1	117249438	GCIHNVREJXKMIK-LJQANCHMSA-N	416.868	5.401	30	20	HKED	
CC(=O)c1ccc(C#N)c(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1	302110185	PGECGKFARIYQFH-UHFFFAOYSA-N	406.489	5.285	30	20	HKED	
N#Cc1cc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)ccc1F	303211914	RKEWTYICWNSUEH-UHFFFAOYSA-N	402.454	5.118	30	20	HKED	
CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	303377432	UZMHESZRFYLGRF-ZWKOTPCHSA-N	410.539	5.008	30	20	HKED	
O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303668836	JCWDLYFDKAVDCS-MNOVXSKESA-N	419.287	5.152	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1Cl	410136023	HOJACQJSHNNKDY-IBGZPJMESA-N	420.856	5.225	30	20	HKED	
CN1C(=O)N([C@H](CCCC#N)c2ccccc2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1	432043154	ZKNAQHJFGRJINW-MOPGFXCFSA-N	416.308	5.364	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)c1ccccc1	432755839	VUKQGIUJJBVVKG-DEOSSOPVSA-N	405.542	6.093	30	20	HKED	
Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1OCC1CCOCC1	432947148	CBZOTZCDQKWIEG-HSZRJFAPSA-N	421.541	5.357	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccccc2)CC(F)F)c1	437184128	YCLQJPFWNXNAQM-UHFFFAOYSA-N	406.432	5.045	30	20	HKED	
N#CCc1ccc(NC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc1	437610315	DMJLKZNCQDQWML-UHFFFAOYSA-N	417.431	5.628	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1	438684003	WIMUVVHYXRGGOO-UHFFFAOYSA-N	414.509	5.807	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	439505259	ARXRUCLQIPPGCS-GMWXCSQMSA-N	419.525	5.144	30	20	HKED	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	439524004	YDVKESAURVGKFS-GMWXCSQMSA-N	419.525	5.144	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)o1	440662541	SNOXKTHGRLFZPU-UHFFFAOYSA-N	416.811	5.296	30	20	HKED	
COc1ccc(C#N)cc1CNc1ccc(Oc2nncc3ccccc23)c(Cl)c1	443470330	UZLQKANSEQUBRB-UHFFFAOYSA-N	416.868	5.568	30	20	HKED	
Cn1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C(F)(F)F	446371853	GILCCCJCJTYFJF-UHFFFAOYSA-N	420.778	5.009	30	20	HKED	
Cc1ccc(-c2nc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)sc2C)s1	447472247	QEABZFLBWUQMCJ-UHFFFAOYSA-N	406.492	5.267	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1	464950055	IZFSZDVLOLZJMF-HOCLYGCPSA-N	413.955	5.437	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N(CC)[C@@H](c1ccc(Br)cc1)c1cccnc1	466879193	YHJSFYGZMHMNLP-JXFKEZNVSA-N	401.348	5.384	30	20	HKED	
COc1ccc(C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1	467704085	BCUPMTGEZBKBOX-KRWDZBQOSA-N	409.555	5.358	30	20	HKED	
C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(COCC(F)(F)F)cc1	471516056	NIBCVVUWBPELFM-UHFFFAOYSA-N	406.448	5.053	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	472751554	LEFZSBGVJUAXSB-ZWKOTPCHSA-N	416.550	5.883	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSCCc1c(F)cccc1Cl	476940249	HNMXGDVGTYAPDR-CQSZACIVSA-N	422.978	5.645	30	20	HKED	
N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)cc1F	478724482	SDGLKFYHJNWTMB-UHFFFAOYSA-N	408.433	5.029	30	20	HKED	
C=C(C)Cn1c(S[C@@H](C)c2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1	481338242	LZHVOINOXJRLFC-AWEZNQCLSA-N	404.461	5.788	30	20	HKED	
N#CCCC[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1	487178211	SXRRQVBFXKKINU-RUZDIDTESA-N	409.489	5.302	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(CCC(C)C)c1C(C)C	487601672	BCVYTRMZYCKJOM-UHFFFAOYSA-N	413.522	5.181	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1csc(-c2ccc(C)o2)n1	489693275	XMFVYLYMQKHMAI-UHFFFAOYSA-N	424.551	5.360	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(C)cs3)cc2)cc1	502407598	ADRLMODJRAPPAX-UHFFFAOYSA-N	407.499	5.070	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(OC2CCCC2)CC1	503317731	PBRJCLAIXCTXLS-UHFFFAOYSA-N	406.551	5.273	30	20	HKED	
N#CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2	503636795	XJQMKZKOOHRMOQ-SDNWHVSQSA-N	408.288	5.282	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)CC1	508320889	CWQSYAAKYYDOAP-IBGZPJMESA-N	403.860	5.043	30	20	HKED	
C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](CC(F)(F)F)C1	508745096	DVWZRQNCROXGFG-ZDUSSCGKSA-N	416.900	5.189	30	20	HKED	
Cc1[nH]nc(NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)c1C#N	508746636	IPTOJHRTSQTXOX-QGZVFWFLSA-N	417.321	5.369	30	20	HKED	
Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510023246	KQZHJSWNFAJHNZ-REWPJTCUSA-N	418.928	5.703	30	20	HKED	
CC[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)s1	510750714	NSJRXUZVPBQVST-INIZCTEOSA-N	400.887	5.326	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(OC(F)F)cc1	513213681	DNFJEXGHYRLCMH-HNNXBMFYSA-N	423.419	5.391	30	20	HKED	
C=CCOc1ccccc1CNC1CCN(Cc2cccc(C(F)(F)F)c2)CC1	513627076	KCVUHIKVMQXKKD-UHFFFAOYSA-N	404.476	5.024	30	20	HKED	
CC(C)Sc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	516270003	JLBFHVNVSLTTJV-IBGZPJMESA-N	403.532	5.672	30	20	HKED	
C[C@H]1CCN(C(=O)CNc2ccccc2S[C@H](C)CC#N)c2ccccc2S1	518758988	PXKJMYCBGNBKDB-SJORKVTESA-N	411.596	5.410	30	20	HKED	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	519433853	GCGWEDPRPHZPAC-UHFFFAOYSA-N	409.389	5.180	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(F)cc21	520195734	JENXPORLCJQTRO-XJKSGUPXSA-N	401.532	5.579	30	20	HKED	
CC1CCN([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2cccs2)CC1	521420222	QBMQXKZHIRCYDS-QFIPXVFZSA-N	424.614	5.013	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1	521697988	HLUCLLVLLAFDOU-KRWDZBQOSA-N	418.566	6.111	30	20	HKED	
COc1ccc([C@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1	522324057	HIWXNASFKYZMMQ-RUZDIDTESA-N	412.489	5.123	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1coc(-c2ccccc2)n1	524389575	PPULOFFODCOKRI-UHFFFAOYSA-N	423.472	5.282	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1	524390787	BZSRYOXUTYOCIP-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
Cc1ccc(-c2ocnc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1	524728009	XJWGMGYGIVQUNB-UHFFFAOYSA-N	422.444	5.026	30	20	HKED	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)s1	525070864	MSCZEUXELTVKKX-INIZCTEOSA-N	404.539	5.462	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1nc2ccccc2s1	530858222	HNDREISWRRFJJR-AWEZNQCLSA-N	405.866	5.627	30	20	HKED	
C[C@H](Oc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1)c1ccccc1	531441706	PVVIMNXGSYKWPE-WDJPJFJCSA-N	411.505	5.134	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCc1cccc2ccccc12	532522722	NVXJSURQAYNWCL-IBGZPJMESA-N	417.578	5.347	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)C1CC1	534257646	XYVGDYYHCWZBFV-SECBINFHSA-N	410.223	5.090	30	20	HKED	
CC(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1	536813559	CPXGIEWPVAYEPV-DWLFOUALSA-N	411.933	5.321	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1	540107943	VRGUSSDWSLTTFW-UHFFFAOYSA-N	417.321	5.437	30	20	HKED	
C=CCC[C@@H](NCc1nc(N)c2c(C)c(C)oc2n1)c1ccc(C(F)(F)F)cc1	540432170	LZHRBHCKMYOOCX-MRXNPFEDSA-N	404.436	5.238	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541084139	FNPMLVCXLGKWQQ-FQEVSTJZSA-N	411.549	5.946	30	20	HKED	
N#C[C@H](C(=O)c1ccnc(SCC(F)(F)F)c1)c1nc(-c2ccccc2)cs1	542649767	XTACWFHRUUHCGK-CQSZACIVSA-N	419.453	5.350	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)C2CCCCC2)cc1Cl	543562373	VFMMDGZNFAZGKR-OAQYLSRUSA-N	411.933	5.154	30	20	HKED	
CN(C(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)c(Cl)c2)c1)c1ccccc1	548618777	MYAAHGXSFIUCQJ-UHFFFAOYSA-N	424.287	5.394	30	20	HKED	
C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(OCCC(C)C)CC1	555242777	YPHPQBJMNWQOKW-UHFFFAOYSA-N	419.573	5.101	30	20	HKED	
N#Cc1c(F)ccc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)c1Cl	561301865	NCMZVVIQPPRQFH-UHFFFAOYSA-N	405.860	5.166	30	20	HKED	
N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(C(F)F)cc3)cc2)c1	564058771	APPZYYANTVSQTI-UHFFFAOYSA-N	400.406	5.089	30	20	HKED	
C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)c1c(F)cccc1F	570486773	IZUUCLAQLFDVLK-NRJQMVOHSA-N	424.495	5.185	30	20	HKED	
COc1cccc([C@H]2C[C@@H](C)CN2Cc2cn(CCC#N)nc2-c2ccccc2)c1	572022196	PJXKYYODWKDILM-NTKDMRAZSA-N	400.526	5.055	30	20	HKED	
C[C@H](NCc1cc(C#N)ccc1F)c1nc(-c2ccc(Br)cc2)cs1	574607296	WVZCOEVLSKMYHA-LBPRGKRZSA-N	416.319	5.434	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3c[nH]c4cccc(Cl)c34)cn2)cc1	590070419	JTQBYAWZENAUJV-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	590155889	RADGSFXDSAFZSM-NXEZZACHSA-N	424.263	5.176	30	20	HKED	
CSc1ccc(Cl)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1	603667565	WZCRZAQCWBFWQY-UHFFFAOYSA-N	400.809	5.127	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)cc1	603692858	PGCBLTFGHYQCPZ-HSZRJFAPSA-N	414.465	5.027	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c2c(C)noc2n1	604027301	VIPJVYWWGQLZHI-UHFFFAOYSA-N	418.840	5.409	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(n2c(C)ccc2C)CC1	606840845	LRAMGSRGJWSRRN-UHFFFAOYSA-N	406.448	5.166	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1	606949177	MCAGEEAXGLKXHA-UHFFFAOYSA-N	406.592	5.144	30	20	HKED	
C[C@@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2S1	609055314	CFYALZGRYWSKIY-MRXNPFEDSA-N	404.491	5.261	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1	609438540	JRTSXPWXYAHGRN-XQFWAAQXSA-N	423.582	5.712	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccc(F)cc12	613319175	UFVLKNTYZWQYTL-INIZCTEOSA-N	410.857	6.147	30	20	HKED	
C[C@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(C#N)c1	614253659	MUNCGZUKOBNXFJ-MEDUHNTESA-N	415.337	5.241	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1	615971390	JBXQQOQRMKCDAT-UHFFFAOYSA-N	406.432	5.046	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1	618787388	ICSCDCSZOPDNKA-QHCPKHFHSA-N	423.447	5.437	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	619427823	YJTYBXUGXUKDLW-ZIAGYGMSSA-N	406.370	5.127	30	20	HKED	
O=C(NCc1c(F)c(F)cc(F)c1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	674519660	RQHVBOASRUJVMM-URJYKCIISA-N	409.345	5.008	30	20	HKED	
CC(C)(C)c1noc(-c2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)n1	679540574	LGCACLLMMWZBHT-OAHLLOKOSA-N	420.469	5.273	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1c(Cl)cccc1Cl	726321936	CGVUZGOSFCAZGN-MWLCHTKSSA-N	409.725	6.236	30	20	HKED	
COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3F)c2)cc1NC(C)=O	726427534	NZSMAKNZKYGQCD-ZRDIBKRKSA-N	419.452	5.268	30	20	HKED	
COc1ccccc1/C(C)=C/C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	727632186	SGBHYECQXYASOI-VOMSXAGXSA-N	410.445	5.377	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cn4cc(Cl)ccc4n3)s2)cc1	727975859	WVSMDHTUQNIZJN-RMKNXTFCSA-N	409.898	5.324	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1c(C)n[nH]c1C	730149174	ULNIRFHUFAJOJJ-HJWRWDBZSA-N	402.317	5.117	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1	730379828	KWFFSFUXKSKSLP-IIBYNOLFSA-N	404.539	5.640	30	20	HKED	
FC(F)n1c(=S)n(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c2ccccc21	735302454	ZFQSNPYSRQQKCZ-UHFFFAOYSA-N	419.341	5.342	30	20	HKED	
Cc1c(C#N)c(NC(=O)CCS[C@@H](C)c2cccs2)n(Cc2ccco2)c1C	737404216	CYUQSFCOWFRPFR-INIZCTEOSA-N	413.568	5.502	30	20	HKED	
Cc1c(C#N)c(NC(=O)COC(=O)CC/C=C/c2ccccc2)n(C2CCCC2)c1C	738675587	FKUCLTQSOBEKJI-WUXMJOGZSA-N	419.525	5.067	30	20	HKED	
COc1ccccc1-c1ccc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cc1	741467043	DRYBSNTWOPWKEA-MLRPBERTSA-N	402.446	5.110	30	20	HKED	
C[C@@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	744034175	BTXFRIDWQZKLMK-KSSFIOAISA-N	412.917	6.048	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)s1	744038116	MNWLFCNZGFQNSC-NXEZZACHSA-N	424.270	5.235	30	20	HKED	
C[C@@]12CC[C@H]3[C@H](CC=C4C[C@H](OC(=O)c5ccc(C#N)nc5)CC[C@@]43C)[C@@H]1CCC2=O	744333899	LKCITHBIYBYNDN-BJDQZLKVSA-N	418.537	5.011	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(-c2ccncc2)cc1	745197916	CDAXFMJHLGCNRP-UHFFFAOYSA-N	407.399	5.547	30	20	HKED	
C=CCn1c(-c2ccncc2)nn(CN2CC[C@H](c3ccccc3)[C@@H](CC)C2)c1=S	746384545	ZAFMOPTYXUOEQN-UGKGYDQZSA-N	419.598	5.135	30	20	HKED	
CC[C@@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	749030176	VVQBVNZAFTVFLW-SJKOYZFVSA-N	416.424	5.261	30	20	HKED	
C/C(=C\c1ccccc1Cl)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3	756503363	GFTYJNQOMMSPJD-PABFRNLHSA-N	423.925	5.209	30	20	HKED	
C=CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c1	757206993	KFPWRRIOFCTZDW-QFIPXVFZSA-N	408.523	5.081	30	20	HKED	
COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1	760180317	AJASSDMHPZKDDG-FQEVSTJZSA-N	400.478	5.109	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1	760790613	XTBBEFHDWGRXQM-UHFFFAOYSA-N	421.375	5.123	30	20	HKED	
CCOc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(Cl)c1O	762576095	MAJZPWRKXAFZPI-IBGZPJMESA-N	406.869	5.352	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1cccs1	765337264	UOXCANKHTHXLBE-AWEZNQCLSA-N	409.540	5.404	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(Cl)cccc32)ccc1OC	772986700	QIVOQAXMIHUVCF-LPHOPBHVSA-N	400.906	5.033	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1NCc1cccnc1)c1nc2cc(Cl)ccc2s1	776080952	KESXHFGFMVOVKT-QGZVFWFLSA-N	418.909	5.447	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1	789449593	HVCAEKLSFLNBOQ-IBGZPJMESA-N	406.448	5.412	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ccnc(F)c1F	791606791	LSKXDFLJEBLYDH-UHFFFAOYSA-N	416.293	5.285	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCc3ccc(Br)cc3C2=O)cn1	792887991	WEKKPIOTQPCXIO-YBEGLDIGSA-N	421.294	5.127	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CCC(=O)c2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	793122142	PVECNKXXBBNRHX-GJZGRUSLSA-N	414.408	5.252	30	20	HKED	
C[C@@]12CC[C@H]3[C@H](CC=C4C[C@@H](OC(=O)c5ccnc(C#N)c5)CC[C@@]43C)[C@@H]1CCC2=O	796736184	PAWCCKPWTVSANG-SPAKIZDMSA-N	418.537	5.011	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3ccc(C)o3)ccc2C)c1	797656733	VYAHNWMAGVUYAS-HXUWFJFHSA-N	403.482	5.566	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1	800772246	UTBYEFVDAYUUNI-UHFFFAOYSA-N	413.525	5.005	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2c(CN[C@H]3CCCc4cc(C#N)ccc43)cccc21	806180872	IWIGUJQACQCFPP-QHCPKHFHSA-N	417.553	5.413	30	20	HKED	
C=C(C)C[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21	810957710	KQOYTWIPDCWJGL-YJBOKZPZSA-N	402.535	5.354	30	20	HKED	
N#C[C@@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1cc(C(F)(F)F)ccn1	813215848	LIOKGBZSFNNCCL-AAJCAMDUSA-N	416.365	5.426	30	20	HKED	
Cc1ccc(Cc2cnc(NC(=O)c3ccccc3SCC#N)s2)cc1Cl	875164232	CPXHPRZQDZYUJD-UHFFFAOYSA-N	413.955	5.564	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1	915352246	IZLCSAJRXICQCE-SANMLTNESA-N	424.548	5.128	30	20	HKED	
Cc1ccsc1CN(C(=S)Nc1ccccc1C#N)c1ccc(F)c(Cl)c1	915996892	AKJZRLQNLQRLJZ-UHFFFAOYSA-N	415.946	6.124	30	20	HKED	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1	916912817	LXIHLLOZJMYFDY-GOSISDBHSA-N	423.925	5.296	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc2cccc(F)c12	916936134	BBHOTSDPRZDMBN-NSHDSACASA-N	404.825	5.103	30	20	HKED	
CC(=NOCc1ccc(Cl)c2cccnc12)c1nc2ccccc2n1C(F)F	917397884	XCZJEMJHFIMXQZ-UHFFFAOYSA-N	400.816	5.574	30	20	HKED	
C#CCN(Cn1nc(-c2cccs2)n(C2CC2)c1=S)[C@H]1CCc2ccccc21	917457296	LBJPYVXDPNNNIY-IBGZPJMESA-N	406.580	5.058	30	20	HKED	
Cc1cc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)cc(C)c1OCc1ccccn1	920067681	BHQNNQIEETVQHR-LDADJPATSA-N	417.461	5.090	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccco3)CCC2)cc1	1789457953	IEBBRTIRPUGSJR-AUSIDOKSSA-N	420.553	5.361	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1	1819553709	SLTXBEZVSVXRHR-HXUWFJFHSA-N	414.594	5.365	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1	1831373494	DNYJQKHAKFMAMZ-NTKDMRAZSA-N	408.586	5.010	30	20	HKED	
N#Cc1ccc(F)c(CSc2nnc(SCc3cc(C#N)ccc3F)s2)c1	11148049	UVSLTCOJQHFXFY-UHFFFAOYSA-N	416.503	5.144	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nnc1-c1ccco1	45649178	XVMLIMDZBKSFJT-UHFFFAOYSA-N	416.506	5.122	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1	57369257	JJINDXCEHFWEJW-FQEVSTJZSA-N	412.489	5.425	30	20	HKED	
C=C(C)COc1cc(/C=C2\S/C(=N/c3c(C)cccc3C)NC2=O)ccc1OC	60790160	GCKWRQPFPBQIRR-NDENLUEZSA-N	408.523	5.159	30	20	HKED	
Cc1cc(C)n(Cc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)n1	61068779	WQTILHSVBIKPEZ-OAQYLSRUSA-N	412.518	5.162	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S	108222083	NUYNVCPDIUNMSD-UHFFFAOYSA-N	411.962	5.013	30	20	HKED	
Cc1ccc(-c2csc(N(C(=O)CSCC#N)c3cc(C)ccc3C)n2)cc1	116989199	RCXQBZKYPLMYPY-UHFFFAOYSA-N	407.564	5.657	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccoc1C	247993244	BOUIBAIEOILBGD-UHFFFAOYSA-N	412.902	5.633	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1ccccc1Cl	255930370	GIJCRDXHUWLKQB-CQSZACIVSA-N	403.910	5.689	30	20	HKED	
C=CCn1c(SCc2cc(=O)oc3cc(CC)ccc23)nnc1-c1cccc(C)c1	255935728	XNRQMOSTKCOVLN-UHFFFAOYSA-N	417.534	5.401	30	20	HKED	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	301946829	VEAXDNSZOQHOLH-JSGCOSHPSA-N	421.488	5.913	30	20	HKED	
O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303668837	JCWDLYFDKAVDCS-QWRGUYRKSA-N	419.287	5.152	30	20	HKED	
Cc1nc(-c2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)cs1	428279309	YQSHJWVFKVSQSZ-UHFFFAOYSA-N	413.506	5.148	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)cc1Cl	430379580	URYBVSRNKLBESZ-UHFFFAOYSA-N	406.656	5.734	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2cccc(C#N)c2C)ccc1OCc1ccccc1	431942532	PCUSUTUVIRNFHN-UHFFFAOYSA-N	415.493	5.118	30	20	HKED	
N#CCCC[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1	433013343	XEQRAVDELGYBKP-QGZVFWFLSA-N	409.839	5.322	30	20	HKED	
CCCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1ccc(C)cc1	433113182	BNTDONBXIGYPTG-OAQYLSRUSA-N	401.514	5.300	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cnccc1-c1ccccc1	434756461	NAMQKNUWFYUESA-QGZVFWFLSA-N	403.507	5.160	30	20	HKED	
C=CCn1c(S[C@H](Cc2ccc(Cl)cc2F)C(C)=O)nnc1-c1cccs1	436195864	UDEAFIVNKFSNIA-QGZVFWFLSA-N	421.950	5.278	30	20	HKED	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C	436345626	MRFYOOCHSGTGBE-MAUKXSAKSA-N	403.573	5.014	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2c[nH]nc2-c2ccc(Cl)cc2)cc1	437247418	DFPSWTILAYXGBN-UHFFFAOYSA-N	406.917	5.156	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	438082934	WMJMNBNFFYTBSF-XQFWAAQXSA-N	423.582	5.679	30	20	HKED	
Cc1nc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)sc1C	439670284	IBXVVNBJPWUDHU-CYBMUJFWSA-N	410.474	5.002	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(CC(F)F)c3cccc(Cl)c3)cc2)nc1	440678126	FRJVGIWINYZCIZ-UHFFFAOYSA-N	413.811	5.311	30	20	HKED	
CCO[C@H](C)c1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)s1	443796901	BXAVFZZPJKNUBA-CHWSQXEVSA-N	417.600	5.577	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc21	443906199	IUGKSZDBGQDRES-UHFFFAOYSA-N	403.816	5.452	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1	445824022	BWNZFOSYMNMOFG-OAHLLOKOSA-N	418.484	6.061	30	20	HKED	
N#C[C@H](C(=O)c1ccc(C2CC2)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1	447157247	SJNLNRWIXSXYQV-OAHLLOKOSA-N	414.317	5.879	30	20	HKED	
Cc1cc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)ccc1C#N	447307015	WLTYDCFVCPDNMW-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1	448186050	UWWIZJSPXWTGBK-UHFFFAOYSA-N	402.972	5.353	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1Cc2ccccc2[C@H](c2ccccc2)C1	460951276	JTYQBWZSRKJEAC-WDJPJFJCSA-N	414.553	5.104	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1F	464422329	UZPUPYFSZQXJIF-SFHVURJKSA-N	416.349	5.844	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccncc1	465956024	NYKRYCVRAIKKQN-RBBKRZOGSA-N	404.901	5.663	30	20	HKED	
CC(C)Sc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	469040099	PYRSFZOCHZQYDT-SFHVURJKSA-N	407.583	5.943	30	20	HKED	
CC(C)CO[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	469511623	FDAALMQVTBNHRB-TZIWHRDSSA-N	411.933	5.274	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc4nccnc4cc3F)c2C#N)C1	470748403	WGWKFNANDNXUOT-LBPRGKRZSA-N	408.502	5.105	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C(F)(F)F)o1	471796284	CXUIAIAGXKDRLZ-UHFFFAOYSA-N	400.356	5.310	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1	475550140	VBFQTSVICSIFIM-NFBKMPQASA-N	405.586	5.571	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O	475564295	ABZSGUIZTZMLLD-QFIPXVFZSA-N	405.542	5.198	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(I)c1C	476101678	WMMLHOPMLZTUQB-UHFFFAOYSA-N	419.306	5.704	30	20	HKED	
C=C(C)[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(F)c(F)c1	476748329	RZVUMQYCXJVMHT-KZULUSFZSA-N	420.410	5.387	30	20	HKED	
CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1	476879336	FBJLXJCGZPDCLO-HNAYVOBHSA-N	414.347	5.044	30	20	HKED	
COc1ccc(CSc2nnc(SCc3ccc(C#N)c(F)c3)s2)cc1	478532980	YWSNGYGWVJZJOG-UHFFFAOYSA-N	403.529	5.142	30	20	HKED	
C=C(C)Cn1c(SCC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)nnc1-c1ccco1	480111828	DICOTVHWOYMUBW-SFHVURJKSA-N	424.570	5.043	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	483981871	PCQNHTGBCZXFQQ-HNNXBMFYSA-N	420.683	5.605	30	20	HKED	
Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C#N)c1ccccc1Cl	485654171	LDDCIFCKNLZFKR-INIZCTEOSA-N	419.790	5.317	30	20	HKED	
COc1ccc([C@H](NCc2cc(C#N)ccc2F)c2ccc(C(F)(F)F)cc2)cc1	486195515	FWKJRLALHUXXBA-JOCHJYFZSA-N	414.402	5.604	30	20	HKED	
O=[S@@](Cc1cc(F)c(C(F)(F)F)cc1F)Cc1ccccc1C(F)(F)F	488742483	STBHFVJCJCVXFF-AREMUKBSSA-N	402.306	5.451	30	20	HKED	
Cc1cc(Br)ccc1CC(=O)Nc1ccccc1S[C@H](C)CC#N	489404444	FWJYKBQXPBREIW-CQSZACIVSA-N	403.345	5.333	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)CSCc2ccc(C#N)cc2)cc1	491649441	WSBHSXQUFIWDJE-UHFFFAOYSA-N	416.546	5.029	30	20	HKED	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(-c3ccco3)n2)cc1	494706986	HXQPGEVDYFAPCI-UHFFFAOYSA-N	420.515	5.057	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)o1	500932913	CYQDKUSJAUTHKP-UHFFFAOYSA-N	400.478	5.173	30	20	HKED	
N#CC1(F)CCN(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1	501881475	KWLLPPYLSKCIHK-SFHVURJKSA-N	406.288	5.120	30	20	HKED	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1	505308929	WGWNXCLGEUKDPV-MRXNPFEDSA-N	424.715	5.236	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)nc1	505336402	BJSQFOWHZIVLMI-SFHVURJKSA-N	423.259	5.047	30	20	HKED	
C=CCn1c(SCc2cc(-c3ccc(F)cc3)no2)nnc1-c1ccc(F)cc1	510592360	WEBIBWJIBURRAA-UHFFFAOYSA-N	410.449	5.357	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	512865341	SHLFELOACPFXRW-MOPGFXCFSA-N	402.416	5.966	30	20	HKED	
CC(C)c1oc([C@@H]2CCCN2C(=O)NCC(C)(C)CCC#N)nc1-c1ccccc1	513119048	SXJBXNITQWQWPV-IBGZPJMESA-N	408.546	5.641	30	20	HKED	
Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1	513554007	MKZBWSAXTQVFLF-KBMIEXCESA-N	419.544	5.222	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)c2ccccc2OCc2ccccc2Cl)nc2ccccc21	513692984	YAHJKSXFESLXKO-SFHVURJKSA-N	415.880	5.296	30	20	HKED	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	513782411	FHARTUDRSDPTKZ-LLVKDONJSA-N	411.449	5.448	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2ccc3ccccc3n2)cc1	517336637	UPYFQWRDESUNHR-UHFFFAOYSA-N	411.436	5.010	30	20	HKED	
CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	518489924	JKDUYQOCPGYFMM-QFIPXVFZSA-N	403.457	5.106	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1	518850181	OZJCYWHGKMDZFL-IGCXYCKISA-N	413.226	5.497	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC(COc3ccccc3)C2)cc1F	519534760	ZRRJENPXYZOQEF-UHFFFAOYSA-N	417.440	5.032	30	20	HKED	
N#CC[C@H](Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)no1)c1ccccc1	520384861	CCUZHZJOWRHZTR-OAQYLSRUSA-N	414.509	5.495	30	20	HKED	
Cc1cccc(Oc2ccccc2NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1	521092278	QASSWUHCPFEBPO-UHFFFAOYSA-N	421.456	6.099	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1NC(=O)c1ccccc1F	521719541	GYFJDQWBZVGIQS-UHFFFAOYSA-N	418.472	5.067	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1	521752217	UGVNAXGETJSRDC-RTBURBONSA-N	402.416	5.154	30	20	HKED	
CCc1cccc2c(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c[nH]c12	521849623	RPOASPLOYRBRDP-UHFFFAOYSA-N	409.489	5.362	30	20	HKED	
COc1ccc(CN2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1OCCCC#N	534337078	YICNIXVACGQWQO-UHFFFAOYSA-N	420.553	5.090	30	20	HKED	
Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)s1	537008154	UKIOCLHFBYWLBH-MRXNPFEDSA-N	404.539	5.201	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1	540446139	RMOCMOWQFIXOOI-CQSZACIVSA-N	417.612	5.116	30	20	HKED	
C[C@H](N[C@@H](C)c1ncc(Br)s1)c1ccc(-c2cccc(C#N)c2)cc1	541175755	CKLCFVGYGMSULV-KBPBESRZSA-N	412.356	5.856	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1	542135357	OKBQSBLNBOWVIA-OYHNWAKOSA-N	413.974	5.271	30	20	HKED	
C[C@H](N[C@H](C)c1nc(-c2ccccc2)cs1)C(=O)Nc1ccc(C#N)c(Cl)c1	544486594	LQOSPPQXNJDNRO-UONOGXRCSA-N	410.930	5.013	30	20	HKED	
C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	547504875	MIGZXJXVGGKEIP-LJQANCHMSA-N	411.505	5.483	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1OC	553367636	VVGSAKRSURMWAS-UHFFFAOYSA-N	406.413	5.068	30	20	HKED	
CC(C)(C)C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(F)(F)F	555008208	ULPQGGMFGTYXSO-KRWDZBQOSA-N	406.408	5.234	30	20	HKED	
Cn1c(Cc2cccs2)nc2cc(C(=O)Nc3ccc(C#N)cc3Cl)ccc21	566938505	SCVQKDNMIVYXMY-UHFFFAOYSA-N	406.898	5.003	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1	569642849	FKANXIYSOIZMCC-UHFFFAOYSA-N	404.832	5.075	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)Nc2c[nH]nc2-c2nccs2)cc1Cl	572927760	WIQLRZKHLNAJJB-UHFFFAOYSA-N	421.869	5.103	30	20	HKED	
Cc1csc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1C#N	574315295	VKDXUTFMTACVTJ-UHFFFAOYSA-N	409.536	5.203	30	20	HKED	
Cc1c(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)sc2ccc(C#N)cc12	574408682	VSQPYFCEZIYWGC-UHFFFAOYSA-N	415.518	5.441	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccccc3CC#N)cc12	575504904	PRIILMGBVAVNQU-UHFFFAOYSA-N	420.925	5.426	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	577236956	BEBMCDFTJCGYOX-UXHICEINSA-N	422.550	5.036	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccnc2C(F)(F)F)c1	589099258	FZJOXMLUYAYDTD-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1	590031928	IWJDORJUASCWSB-HOTGVXAUSA-N	404.297	5.043	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(Oc2ccccc2)c(F)c1	604077644	SROUKFIXQGQMSI-KRWDZBQOSA-N	403.457	5.392	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)NCc1ccccc1Cl	604459738	IOJJGLIRFHXTFC-MRXNPFEDSA-N	405.885	5.121	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1	607699194	QMJJCUZDZHFJCI-VLIAUNLRSA-N	423.406	5.012	30	20	HKED	
CC1=NN(c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)CC1	609060748	DDWKODWZQDKNPH-UHFFFAOYSA-N	424.504	5.284	30	20	HKED	
Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	609109766	ARPBMCIJCMNBAF-UHFFFAOYSA-N	420.488	5.097	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1	609299337	JDNATZINGLWBTN-VWLOTQADSA-N	423.447	5.404	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)sc2c1	609377218	RJMWWVONQWKDGX-ZDUSSCGKSA-N	400.956	6.367	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1ccccc1	609438239	HMQUZJWFHBAEDD-MOPGFXCFSA-N	423.582	5.409	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)cc1F	610313339	NZHSFHZJHBOMLT-UHFFFAOYSA-N	415.424	5.017	30	20	HKED	
CCOc1ccc(Br)cc1NCc1ccc(OC)c(OCCCC#N)c1	610910479	SUYRXDZPGAIAJF-UHFFFAOYSA-N	419.319	5.151	30	20	HKED	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cn(CCCC#N)c2ccccc12	618200751	SQNBSLBZRUKFPR-SQJMNOBHSA-N	415.537	5.185	30	20	HKED	
FC(F)(F)c1cnc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(Cl)c1	618438398	ZGGUQIDVEVNTTR-HTQZYQBOSA-N	400.672	5.321	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	618543091	MAGZJDBQCLNFSV-OCAPTIKFSA-N	424.263	5.022	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	622566031	BWWKRKOXIHHROU-MGPLVRAMSA-N	407.329	5.285	30	20	HKED	
N#C[C@H](C(=O)c1cccn1Cc1ccncc1)c1nc(-c2ccc(Cl)cc2)cs1	726321201	CQKAMCUNAFDSQW-GOSISDBHSA-N	418.909	5.198	30	20	HKED	
N#Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2F)cc1Cl	726484790	RXBCKGHCAPPQOL-UHFFFAOYSA-N	409.917	5.750	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1	726939975	AFCDMEJIMHCCEX-UHFFFAOYSA-N	415.440	5.698	30	20	HKED	
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1csc(C(=O)O)c1	730148974	RFODZHYNUPTWGF-CMDGGOBGSA-N	411.866	5.248	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc2cc(F)ccc2s1	730421463	KOGZUKBQZRYVHQ-IBGZPJMESA-N	408.498	5.566	30	20	HKED	
CC(C)Oc1ccc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1	731040460	UIAZSYLCMXHGEC-QGZVFWFLSA-N	414.596	5.597	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(CC2CCCCC2)CC1	731114727	WNXCXSVCYLULFA-GOSISDBHSA-N	414.619	5.105	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C/c1cc(Br)ccc1F	731335851	TUWGJGVUIGUQGI-PPGNKHEKSA-N	419.319	5.634	30	20	HKED	
CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cccs1	732047127	SMXJQZNNQBYFBS-FQEVSTJZSA-N	408.548	5.385	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCCCN2CCCCC2)cc1	732416804	BOEWNXNHNBQYJV-DEOSSOPVSA-N	404.558	5.120	30	20	HKED	
C[C@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1	734062388	RFFYKNVSVQSNHX-URXFXBBRSA-N	419.912	5.025	30	20	HKED	
Cc1ccc(C)c(OCc2nnc(SCc3cc(Cl)ccc3OCC#N)o2)c1	735230774	QJOBZPGTCPJROD-UHFFFAOYSA-N	415.902	5.114	30	20	HKED	
CC1CCN(c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)CC1	739598074	CUSAZHOTMDYONQ-UHFFFAOYSA-N	412.493	5.234	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1CCSc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1	744037661	BIZYLCHPJSNWLO-ZIAGYGMSSA-N	418.465	5.771	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	745949815	BPNLLWNTGSWCBM-HOCLYGCPSA-N	412.461	5.370	30	20	HKED	
CC(C)CN(Cc1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	746660466	RYIWMLQUAQGSQA-DEOSSOPVSA-N	415.512	6.171	30	20	HKED	
N#Cc1ccc(Oc2ccc(OC(=O)Cc3csc(-c4ccccn4)n3)cc2)cc1	748687578	BXHKMDYXNAHNGZ-UHFFFAOYSA-N	413.458	5.017	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccc(Cl)s3)n2)cc1	750693845	ZXGVMBFHEHURBZ-BXUZGUMPSA-N	402.928	5.514	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1	750992072	XHSYSCHPEIPRCK-RUZDIDTESA-N	419.553	6.818	30	20	HKED	
N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nc2ccccc2o1	751831122	RWUAJRBAZHIAHA-OAHLLOKOSA-N	407.882	5.388	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/SCc1ccco1	754239113	WGJUXMBWBKAUPJ-UXBLZVDNSA-N	412.458	5.690	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(/C=C3\CCc4cc(C#N)ccc4C3=O)c21	757530168	SMVAAVDRJLYRNK-XSFVSMFZSA-N	400.478	5.068	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C/c3ccc(Cl)c(Br)c3)cc2N1	758027023	UBOXRQRQQPWNDG-DUXPYHPUSA-N	414.733	5.104	30	20	HKED	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccco1	762304473	LMYRMXKTXNTVCM-OUKQBFOZSA-N	408.413	5.135	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)cc2ccccc21	762996545	DXCQWFMHYGCMGM-VWLOTQADSA-N	409.489	5.083	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccccc2C(F)(F)F)nnc1-c1cccs1	764690889	USIDNNAVURLRLW-CQSZACIVSA-N	411.474	5.037	30	20	HKED	
Cc1cn(C2CCCCC2)nc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	765235233	RTZCRKKLDJFRDT-QHCPKHFHSA-N	413.525	5.996	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	766840865	KOPUFCKIQUJZRE-KRWDZBQOSA-N	400.425	5.638	30	20	HKED	
CCCN(C(=O)c1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(C)C	771525728	LBODWKNAYMNMQX-UHFFFAOYSA-N	418.541	5.015	30	20	HKED	
COCCc1nc(C)c([C@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)s1	773911303	NXXMHLBCBVLBNX-INIZCTEOSA-N	406.507	5.097	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(C3CCCCC3)n2)cc1	776515736	JOSXPIVONYZYKN-HRAATJIYSA-N	406.530	5.171	30	20	HKED	
C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(SC(F)F)cc1	777113970	GCEYHDHNTZXGHZ-CQSZACIVSA-N	403.498	5.007	30	20	HKED	
CC(C)c1ccc(CSc2nn(CN3CCC(C)(C#N)CC3)c(=S)s2)cc1	779879437	UWIIEYFNEIBOOO-UHFFFAOYSA-N	418.657	5.673	30	20	HKED	
CC(C)[C@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1cccc(C(F)(F)F)c1	780668625	CEZLEJBEFLQUOR-LIRRHRJNSA-N	405.420	5.515	30	20	HKED	
CCCc1c(NC(=O)c2sc3ccccc3c2Cl)cnn1-c1cccc(C#N)c1	784716106	QJRALVNSLCMVDC-UHFFFAOYSA-N	420.925	5.817	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)n1	788627919	RUEJGJLIVZZFBL-UHFFFAOYSA-N	424.957	5.375	30	20	HKED	
CC(=O)c1cc(N=Cc2cc(Br)cc(Br)c2O)ccc1F	794676387	NQFINHHQAQDKRP-UHFFFAOYSA-N	415.056	5.010	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CC(C)(C)c3ccccc3C2=O)cs1	794968433	NHQSJBMNKJBVLI-AQTBWJFISA-N	416.546	6.084	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H]2CC23CCC(C(C)(C)CC)CC3)n1	796895309	BFNFDXOFBSVBCY-XNROWMOSSA-N	402.560	5.129	30	20	HKED	
CC(/C=C\C(=O)c1ccc(C(F)(F)F)nc1O)=C\c1ccccc1C(F)(F)F	799891286	MSROMZBRCYRUON-FEVLKHHISA-N	401.306	5.667	30	20	HKED	
C#C[C@H](NC(=O)Cc1sc(C)nc1-c1cccs1)c1ccc(Cl)cc1F	804422402	ZOMLUXUVDGVEJE-HNNXBMFYSA-N	404.919	5.006	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	806200968	QLYPDVOXDWOHMT-DEOSSOPVSA-N	415.493	5.038	30	20	HKED	
COc1cccc(C2(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1	809872721	MBZQGJRBPCZIME-DEOSSOPVSA-N	411.505	5.204	30	20	HKED	
C#C[C@@H](NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1	812157704	JOZVUHAVDDBZTK-GOSISDBHSA-N	414.292	5.131	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(Br)c1	813060650	GDXOTVAIAFIKBA-DYVFJYSZSA-N	411.324	5.553	30	20	HKED	
O=C(/C=C\c1ccc(-c2nc3ccccc3s2)o1)c1ccc(N2CCOCC2)cc1	916138552	WISPIPNJXBMCLE-LUAWRHEFSA-N	416.502	5.289	30	20	HKED	
CC(C)Oc1ccccc1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl	916333854	WRNCNONAJQICPK-UHFFFAOYSA-N	407.326	5.210	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1	1789256972	ICVKFUFKKRGYOI-UHFFFAOYSA-N	408.548	5.124	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(C)on3)CCC2)cc1	1789626404	MJDCBXDSJSIQRR-VAWYXSNFSA-N	421.541	5.123	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12	1797300121	JDEGIFWCUCABSP-WKCHPHFGSA-N	404.554	5.084	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)CC1	1832402680	PVVSWEHTPUENHS-OZXSUGGESA-N	412.618	5.121	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccccc2OCc2ccccn2)ccc1OC(F)F	22504136	ZXUUVCUWRQCZJB-PKNBQFBNSA-N	411.404	5.167	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1	22729778	SJAAQHCPAVLJGU-UHFFFAOYSA-O	417.598	6.074	30	20	HKED	
C#Cc1cccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1	23359351	OPYZKTWAXLNSFT-UHFFFAOYSA-N	420.578	5.241	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccccc2CC)cc1	23604485	HBFBQPJSNCIAEM-UHFFFAOYSA-O	406.575	5.095	30	20	HKED	
Cc1nn(-c2ccccc2)c(CSc2nnc(C[C@@H](C)c3ccccc3)o2)c1C#N	27436243	LQPVYIBIEPOPSU-MRXNPFEDSA-N	415.522	5.074	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1	43116705	QTVVYGPBBVIJJO-GOSISDBHSA-N	409.530	5.038	30	20	HKED	
C=CCN(CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(OC)cc1	109103229	WVHWMDOZLPGYBN-UHFFFAOYSA-N	400.522	5.379	30	20	HKED	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)c1cccc(C#N)c1	143599360	PIOWSCTURKEAMO-UHFFFAOYSA-N	401.413	5.286	30	20	HKED	
C[C@H](CCc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	301217578	DKZTUJBRSJGDNP-LJQANCHMSA-N	400.547	5.602	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnn(CCC#N)c1-c1ccccc1	428322206	DEMTZACTXQMHRD-UHFFFAOYSA-N	413.308	5.043	30	20	HKED	
CN(C(=O)Nc1ccccc1C#Cc1ccccc1)[C@H](c1ccccc1)c1ncc[nH]1	433003576	ADMJTIANGPABSN-XMMPIXPASA-N	406.489	5.063	30	20	HKED	
N#CCCC[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1	433017125	ADCBAIZSCKGTRZ-KRWDZBQOSA-N	409.839	5.322	30	20	HKED	
CN(Cc1ccccc1OC(F)(F)F)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F	433630019	CBHDYWASUKKVQI-OAHLLOKOSA-N	424.316	5.011	30	20	HKED	
C[C@@H](SCCCCC(C)(C)C#N)c1nc(O)c2c(-c3ccco3)csc2n1	435885203	GWHNDSABVCHFBL-CYBMUJFWSA-N	401.557	6.171	30	20	HKED	
O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1c(F)c(F)cc(F)c1F	436466988	XNNHKTPEPRCDHP-ZDUSSCGKSA-N	403.656	5.069	30	20	HKED	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1CCC	437475293	PQCQNIJURIINJI-ZUOKHONESA-N	423.340	5.312	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@H](CCCc3ccccc3)c3ccccc3)o2)c1	438768947	VPBAYJMNHOHGAY-XMMPIXPASA-N	408.505	5.462	30	20	HKED	
CCCc1c(NC(=O)N[C@@H]2CCSc3ccccc32)cnn1-c1cccc(C#N)c1	439680082	CBOLUWFNGPLLGZ-LJQANCHMSA-N	417.538	5.055	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(CCC(F)(F)F)cc1	440368778	UNFPCQHIYCIKRU-AWEZNQCLSA-N	407.461	6.077	30	20	HKED	
Cc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(C)c1O	443567459	BZEDNPYMAQOZGM-UHFFFAOYSA-N	401.466	5.298	30	20	HKED	
CC(C)c1nc(-c2ccccc2NC(=O)c2cn(CCCC#N)c3ccccc23)n[nH]1	444020817	LYRRVNSCLNMEIR-UHFFFAOYSA-N	412.497	5.106	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c(F)c1	445878702	VNSMVCZHGOUVSG-UHFFFAOYSA-N	419.309	5.295	30	20	HKED	
CC(C)(C)[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1	448018613	PVCAQOMMXNBWRN-FPOVZHCZSA-N	411.933	5.274	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(C)c(Oc3ncccc3Br)c2)CC1	448085754	SZBXXZLQCHFFPP-UHFFFAOYSA-N	416.319	5.375	30	20	HKED	
C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H](C)c1sc(C(C)C)nc1C	460948810	ADECVJWOXQKUFH-USXIJHARSA-N	403.596	5.037	30	20	HKED	
Cc1cc(C)c(Br)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	461028418	OBJBVLOPUFJAIK-CQSZACIVSA-N	403.345	5.713	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	465453419	QIQIYJUETLKLFU-UHFFFAOYSA-N	422.916	5.303	30	20	HKED	
C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1	466441352	KCHRYVPCBWMITM-MRXNPFEDSA-N	409.461	5.038	30	20	HKED	
CC(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C	468112078	YFJCCDIXWZEPCC-NRFANRHFSA-N	417.896	5.515	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3c(F)cccc3NC3CC3)cc2)cc1	469049858	SXSQVZUPUKVASB-UHFFFAOYSA-N	401.441	5.511	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@@H]1c1ccccc1	472752986	PBPSVLIBXKRZPT-SBHAEUEKSA-N	407.583	5.986	30	20	HKED	
CC(=O)N(c1nc(COc2cc(Cl)ccc2C#N)cs1)c1ccccc1F	474396169	WQMQNLOFXMPLEI-UHFFFAOYSA-N	401.850	5.071	30	20	HKED	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1	475255157	SJJZNRXNTUGEJB-GOSISDBHSA-N	403.526	5.063	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1	475558083	HGRSBHPQKZPNBF-INIZCTEOSA-N	412.530	5.447	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1	475570084	DNVSLPHPLSKQOC-QFIPXVFZSA-N	405.586	5.524	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)CSCC(=O)N(C)C1CCCCC1	476081553	ULPWKIFWBXPMJU-UHFFFAOYSA-N	402.604	5.001	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)cc1	477997707	YFAOYOGXKHKUKO-UHFFFAOYSA-N	401.702	5.096	30	20	HKED	
CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCc2cccnc21	480543738	XMKCWBZCSNMMFP-YLJYHZDGSA-N	408.571	5.655	30	20	HKED	
C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C(C)C)nnc1-c1ccccc1C	481335014	CCWUJQKLEAEDHY-JOCHJYFZSA-N	420.582	5.045	30	20	HKED	
COCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CC[C@@H](C)C1	484202590	ZFJHGJZCYWXYTA-KNQAVFIVSA-N	421.541	5.001	30	20	HKED	
CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1	484269144	XQLIYWPRWOPIQS-UTKZUKDTSA-N	411.477	5.205	30	20	HKED	
N#CCCC[C@@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccccc1	487625991	IQRUTORWIDGKAU-OAQYLSRUSA-N	423.969	5.481	30	20	HKED	
C=CCCCCCN(C)C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1	488351623	VGLBFTLAIJPSCG-UHFFFAOYSA-N	407.514	5.391	30	20	HKED	
O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(F)cc1C(F)(F)F	490272604	NBIQZRQCKFQSIN-UHFFFAOYSA-N	419.256	5.166	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2C(F)(F)F)c1	499423676	SOBLMVOMCCSYDF-UHFFFAOYSA-N	412.415	5.253	30	20	HKED	
N#C[C@H](NC(=O)CCCCOc1ccc(Br)cc1)c1ccccc1Cl	499931535	PVOZVXPIERITQM-SFHVURJKSA-N	421.722	5.033	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	502802959	SCVMCONGRSENQA-KRWDZBQOSA-N	402.807	5.416	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCC(F)(F)C2)cc1	505691099	AVMPQVLYRUXUJT-SFHVURJKSA-N	400.494	5.406	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccnc2c(Cl)cccc12	506705383	GFSZSBQFBIRESK-CQSZACIVSA-N	411.914	5.300	30	20	HKED	
Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	510838389	SLOYTSBUDDFBBT-UHFFFAOYSA-N	422.488	5.192	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)Nc1c(F)cc(F)cc1-c1ccccc1	515583297	AYGJRGQGPJBQAW-UHFFFAOYSA-N	422.431	5.310	30	20	HKED	
CC(C)c1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cnn(C(C)C)c2n1	518143388	INSXNONSZQVZNE-MRXNPFEDSA-N	421.570	5.640	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)c1ccc(Cl)c(Cl)c1	518321099	GQNOPJMGLFJWKA-MRXNPFEDSA-N	423.097	5.232	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H](C)c1ccc(C#N)cc1	518372338	PWENNYMXXREHNB-LJQANCHMSA-N	409.489	5.640	30	20	HKED	
CCN(CC)[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccco1	520599941	RYJLHJZUGORGDM-JOCHJYFZSA-N	418.497	5.148	30	20	HKED	
CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCCN(c2ccccc2)C1	524511508	FTEDAXSXQBISFU-QHCPKHFHSA-N	411.505	5.092	30	20	HKED	
N#CCc1ccnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)c1	532435467	QASAOZWSCNSLAZ-ICFOKQHNSA-N	422.513	5.496	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)Cc1nc(O)c2c(-c3ccco3)csc2n1	533254824	STYVDFPNYGTFOW-UHFFFAOYSA-N	418.522	5.187	30	20	HKED	
Cc1cc(Br)cc2c1CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2	540398597	AYFSEALZRNNOSK-UHFFFAOYSA-N	412.331	5.149	30	20	HKED	
C[C@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1cccc(C#N)c1	540596301	RQKCGSXSNGQAAY-UPCLLVRISA-N	404.897	5.423	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(C#N)cn1C(C)(C)C	540873383	FCPMQFJQGNHSTD-UHFFFAOYSA-N	400.454	5.077	30	20	HKED	
C[C@H](NC(=O)NCc1ncc(C(C)(C)C)o1)c1ccc(-c2cccc(C#N)c2)cc1	542088273	SYMWOORLQSXSML-INIZCTEOSA-N	402.498	5.071	30	20	HKED	
C[C@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-c2cccc(C#N)c2)cc1	543870576	GUFCQTXPIBCPEV-HNNXBMFYSA-N	416.431	5.404	30	20	HKED	
CCn1cc(Br)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	549467893	FYUCHVBJWDVLSG-NSHDSACASA-N	408.708	5.024	30	20	HKED	
C=C(C)Cn1c(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C	549692931	XWCFKTMUEYYOSW-ZDUSSCGKSA-N	413.513	5.011	30	20	HKED	
CC(C)(CCC#N)CNC(=O)c1oc2ccccc2c1CSCc1ccccc1	554098407	ZMOCVIJKJJBBEV-UHFFFAOYSA-N	406.551	5.926	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1c(F)cccc1N1CCCC1	554206712	PAJBELIVGSXAMQ-INIZCTEOSA-N	412.534	5.142	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NC(C2CCC2)C2CCC2)cc1	562134793	ZDTCACWBKYMRHG-UHFFFAOYSA-N	403.526	5.422	30	20	HKED	
N#CCc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	576142941	DNVUAVDJNQCCCD-UHFFFAOYSA-N	424.287	5.564	30	20	HKED	
Cc1ccc(Oc2ccc(Nc3c(C#N)cnc4c(F)c(F)c(F)cc34)cc2)nn1	587984757	PONPGQGQSCHDML-UHFFFAOYSA-N	407.355	5.158	30	20	HKED	
COc1ccc(NC(=O)CCCCCC#N)cc1OCc1ccc2ccccc2n1	588156384	BRCSLZTZKQNGAG-UHFFFAOYSA-N	403.482	5.235	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	603754919	JODRKZXAEZARGY-RTBURBONSA-N	418.434	5.908	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1Cl	603759164	VOJHPHKUDHIXCB-RXVVDRJESA-N	402.881	5.185	30	20	HKED	
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccccc2C#N)o1	603831696	TUMDZYOOSKAHOO-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	603946854	DTVRFEXFSYWVBN-UHFFFAOYSA-N	417.490	5.185	30	20	HKED	
C=CCN(C(=O)Cc1csc(-c2ccoc2)n1)c1nc(-c2ccccc2)cs1	606159121	FPPJSXGUOUXASA-UHFFFAOYSA-N	407.520	5.288	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1	609082542	QDDVUBWPPCLCRV-MRXNPFEDSA-N	410.424	5.052	30	20	HKED	
CCC(CC)[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1	609212403	HQYSTGZCZOCAKJ-XMMPIXPASA-N	405.542	5.289	30	20	HKED	
Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1	609387052	ICNRMFZLFKBYRF-OAHLLOKOSA-N	421.488	5.767	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1	610226572	OTYDFXNOQPWIDS-UHFFFAOYSA-N	402.381	5.497	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccncc1	610530719	YGGDWIDQIPZIGR-HNNXBMFYSA-N	406.873	5.324	30	20	HKED	
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	611094074	ASJQDXVIJJEYGJ-CQSZACIVSA-N	405.325	5.403	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	611160276	HRXWIQCFAIONFY-UHFFFAOYSA-N	411.421	5.353	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1	614969628	HEBVXVILYSIGLQ-OAQYLSRUSA-N	409.449	5.137	30	20	HKED	
C=CCN(C(=O)c1cc(C2CC2)nc2onc(CCC)c12)c1nc2c(s1)CCCC2	643114984	PIOTXYNOGJYGBN-UHFFFAOYSA-N	422.554	5.221	30	20	HKED	
C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1	675739800	ZZZUGYXBLHMDBY-MVWJERBFSA-N	405.329	5.848	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c2cc(Br)ccc2n1	679536824	RYLHDVVFEBLOGX-SFHVURJKSA-N	416.278	5.344	30	20	HKED	
CCc1ccc([C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	727953305	DQKZTVRIBINRFZ-FZKQIMNGSA-N	402.466	5.015	30	20	HKED	
CC(C)(NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1	728745333	TUWKWXSZQXJYNH-IMRBUKKESA-N	414.365	5.270	30	20	HKED	
CN(C(=S)Nc1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21	728796340	GCTABYIZCLFNPQ-MRXNPFEDSA-N	418.385	5.186	30	20	HKED	
Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	729375937	XKHJVEZEPKZXLU-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
N#C[C@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1nc2ccccc2o1	730399174	VZGJDCUAYYHOOL-OPAMFIHVSA-N	420.440	5.816	30	20	HKED	
N#CCSc1ccccc1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1	731475336	HPYAEHXJWAHMKG-UHFFFAOYSA-N	407.926	5.820	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)c1	733771161	OGBUFPUYIPGNSJ-AWEZNQCLSA-N	419.333	5.819	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC3(CCCC3)c3c(F)cccc32)c1	733851521	BMPYWYTXOGCKHT-GOSISDBHSA-N	407.489	5.048	30	20	HKED	
CC[C@@H](CNC(=O)c1ccccc1SCC#N)Cc1cccc(Br)c1	736256383	CGXXSSNMQDTHMF-OAHLLOKOSA-N	417.372	5.063	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3nccc4ccccc34)SC2=S)cc1Cl	740942660	KTXDDKFERDUALN-ZDLGFXPLSA-N	407.907	5.166	30	20	HKED	
COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1C#N	743282056	IWXVVFPCIIQKJZ-NDENLUEZSA-N	402.500	5.126	30	20	HKED	
Cc1sc(NC(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1C	744959851	VBIQWOYPQKYKCN-UHFFFAOYSA-N	420.490	5.133	30	20	HKED	
CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc([S@@](C)=O)cc1	746370115	FZHNDXQLGWQVQC-GDLZYMKVSA-N	420.563	5.240	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)nc(Cl)c1	749134791	CUHLOKVBPHHLHM-UHFFFAOYSA-N	418.093	5.118	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)c2cccc(OCc3cccs3)c2)cc1C#N	752192072	YFIDYQKTIGTXJV-UHFFFAOYSA-N	421.478	5.019	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCCCc3ccc(Cl)c(Cl)c3)nc12	753551625	BMLHFMRXIKAHIR-AWEZNQCLSA-N	401.297	5.162	30	20	HKED	
C#CC[C@H](OC(=O)C[C@]1(CC)OCCc2c1[nH]c1c(CC)cccc21)c1ccccn1	759307898	GHEIJRPTHZDEQA-NVQXNPDNSA-N	416.521	5.001	30	20	HKED	
CCOCCC1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCCC1	761617057	CGDUVFOTVGTDBI-QHCPKHFHSA-N	405.542	5.451	30	20	HKED	
CC(C)(C)OC(=O)N1CCCc2cccc(C=NNCc3cccc4cccnc34)c21	761805281	AGNWKTHAMADHAX-UHFFFAOYSA-N	416.525	5.046	30	20	HKED	
COc1ccc(/C=C/C(=O)c2ccc(Br)cc2Cl)c(OC)c1OC	765612483	BXWVYXCJBFWHAU-XBXARRHUSA-N	411.679	5.024	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1	767883568	MUXIWZQRBWYLPD-ZWKOTPCHSA-N	419.550	5.679	30	20	HKED	
Cc1csc(SCc2ccccc2C(=O)N[C@H](C#N)c2ccc(Cl)cc2)n1	768156227	MJMWMGBIBDBZFH-GOSISDBHSA-N	413.955	5.392	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cncc(Br)c3)cc2F)c1	768519868	ZNNQVGYWICIADB-UHFFFAOYSA-N	412.262	5.046	30	20	HKED	
COc1ccccc1CSc1ccccc1NC(=O)NCc1ccc(C#N)cc1	770288350	HSIODCTXUWLIAC-UHFFFAOYSA-N	403.507	5.181	30	20	HKED	
Cc1cc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2cc1C	770846380	IGQIMUBCKMEBSQ-AWEZNQCLSA-N	401.249	5.318	30	20	HKED	
CCCN(CCc1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	775487098	HXNNZYYITVLMAQ-HSZRJFAPSA-N	403.551	5.890	30	20	HKED	
COc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1	776162448	HJBZWTHMSBTWMB-IQGLISFBSA-N	420.940	6.000	30	20	HKED	
O=C(/C(=C\c1cccc(Br)n1)c1nc2ccccc2s1)c1ccccc1	777912340	OSPQZZPRCVTGIS-DTQAZKPQSA-N	421.319	5.877	30	20	HKED	
CC(C)(C)Sc1ccc(-c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)nc1	783628813	MHIYQIFITUSKLW-IBGZPJMESA-N	405.527	5.235	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	789451523	XLUZCTUXEQUZLA-GOSISDBHSA-N	401.551	5.060	30	20	HKED	
C/C(=C\C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1ccccc1OC(F)F	791117811	UFKWDNMTIHAYLM-CSKARUKUSA-N	405.285	5.035	30	20	HKED	
C[C@@]12CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C[C@H]1C2(Cl)Cl	791247917	IRUFMDFNRVQUGQ-UYAOXDASSA-N	401.293	5.006	30	20	HKED	
COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1nccc2ccccc12)c1ccccc1	792095160	UGOOZWPAJRUIAB-YLXJWSIRSA-N	404.469	5.660	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC(C)(C)CC(=O)c1ccccc1	799602019	DSZLPFJUMAJRAA-NRFANRHFSA-N	418.537	5.148	30	20	HKED	
COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccccn3)c2C)ccc1SC(F)F	802704694	ORKJJRRSRAAWTM-HJWRWDBZSA-N	415.465	5.104	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1COC(=O)N(C)CC	806451831	MRAJOLVBLSMNLX-LJQANCHMSA-N	401.551	5.013	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C2=CCCC2)cc1	811257811	FXNOWCBDKOZRED-QGZVFWFLSA-N	420.534	5.301	30	20	HKED	
CCC1(C)C/C(=C\c2cn(C)nc2C(F)F)C(=O)/C(=C/c2cn(C)nc2C(F)F)C1	812243397	LFBJFTUAJDNZCZ-PWHKKFIBSA-N	424.442	5.275	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C4CCC[C@H]4C(C)(C)C#N)c23)cc1	814761378	LGLADMRMXKHEPL-QGZVFWFLSA-N	405.527	5.485	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1	915337939	YPJZLEBGHVXVJS-UHFFFAOYSA-N	415.541	5.282	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCSCc2ccccc2)cc1	915351533	DPOIYUDBVISFTA-QHCPKHFHSA-N	401.535	5.397	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc(F)ccc2s1	916928356	YZMVECYFTUAPOM-LBPRGKRZSA-N	407.253	5.308	30	20	HKED	
N#C[C@H](C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1nc2cc(C(F)(F)F)ccc2s1	917042681	FQRBNZHXELXQRW-HOSYDEDBSA-N	420.378	5.860	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4C4CC4)CCC3)cc2)CCC1	1792234403	ROBWJFQSZQXZRV-UHFFFAOYSA-N	413.521	5.006	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)[C@H](C)CC)C2	1798333027	PJEBQMDZDFBAKL-NLFWLLJLSA-N	422.613	5.223	30	20	HKED	
C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nnc(-c2ccc(F)cc2)o1	7107445	PVAMBRRIKRBHPO-HNNXBMFYSA-N	413.408	5.332	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl	20628014	LCYHSDGKPNBOKH-KRWDZBQOSA-N	418.852	5.074	30	20	HKED	
C=CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1cccc(C)c1	21991276	QIXOPIPVKXGXTC-UHFFFAOYSA-N	407.583	5.317	30	20	HKED	
CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccccc2CC)cc1	22731358	OMFLDGRIPSEALZ-UHFFFAOYSA-O	419.570	5.295	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(-c2cccs2)no1	32785271	XOVHJJANXJOBCH-AWEZNQCLSA-N	409.540	5.020	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(SC)c(OC)c2)cc(Br)c1O	60245357	DGWLWPLTFGZQQR-FNORWQNLSA-N	423.328	5.180	30	20	HKED	
O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(F)c(F)c(F)c1F	303603344	NYBRQBYAQLKXEP-UHFFFAOYSA-N	401.665	5.090	30	20	HKED	
C[C@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)c1ccc(C#N)cc1	303731035	VHIXMNQSYLDRFY-LBPRGKRZSA-N	409.561	5.448	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)c(Cl)c1	323020484	RALSRHZINXBJIA-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
Cc1cnc(-c2ccccc2NC(=O)c2ccc(Sc3ccccc3C#N)cc2)[nH]1	427182487	PDTCMDHAIUOWQK-UHFFFAOYSA-N	410.502	5.660	30	20	HKED	
CC(C)CCn1ncc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1C(C)C	430190908	HYDBDTHJYXRLLL-UHFFFAOYSA-N	418.545	5.082	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CC[C@@H](CC(F)(F)F)C1	432992663	PMMYXJKDPREZRF-QMMMGPOBSA-N	406.273	5.113	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(C)c1F	433739366	JAVBGHADPRVZDI-UHFFFAOYSA-N	404.283	5.212	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@](C)(CCc2ccccc2)C1	435135354	OSLXKEXGLLINSF-DVECYGJZSA-N	407.583	5.958	30	20	HKED	
Cc1ccc(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Br	437865334	KEBHNUAKVBXONO-AWEZNQCLSA-N	403.345	5.333	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)c3ccc(C#N)cc3)cc12	439942674	LZXQQEDUEZHJHT-UHFFFAOYSA-N	420.925	5.256	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1	440388916	WSRXCWVNIUETQS-BDYUSTAISA-N	410.492	5.130	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)NCC1CCC(C#N)CC1	441648443	UKLGRMXKKAMTLZ-UHFFFAOYSA-N	419.504	5.139	30	20	HKED	
C[C@H](NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)c1ccc(-c2cccc(C#N)c2)cc1	445255404	YPAGQMDCHZYCOA-KRWDZBQOSA-N	415.541	5.148	30	20	HKED	
N#CCCCOc1cccc(NC(=O)Nc2cc3c(cc2Br)CCC3)c1	446426319	YSULCDRXVIJLBW-UHFFFAOYSA-N	414.303	5.264	30	20	HKED	
CC[C@@H](N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(C#N)cc1	447537400	VOXDHPKFYNJGNA-WZONZLPQSA-N	401.510	5.343	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)o2)cc1	460443002	ISUNLFVSQOJECY-UHFFFAOYSA-N	420.440	5.443	30	20	HKED	
C[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1cccc(C#N)c1	462415391	OBVIOJKUPRQUNK-UNEAEHENSA-N	421.972	5.045	30	20	HKED	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1	464042037	ANFZYXQMDMWUDX-XZOQPEGZSA-N	414.505	5.447	30	20	HKED	
CCO[C@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)C1=CCCC1	465135849	YFKNTASSIYFPLR-XMMPIXPASA-N	406.501	5.445	30	20	HKED	
CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1nc(C(F)(F)F)cs1	466666931	VAOHKZYPPWIHEV-HNNXBMFYSA-N	410.465	5.105	30	20	HKED	
Cc1coc(-c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)n1	467993772	JRLYUTGVMJHLLB-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
CC(C)[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1	469976495	XYRCYHDJXVEQHF-JOCHJYFZSA-N	403.526	5.038	30	20	HKED	
Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	472016110	ILOFWXODOSFVCE-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N(CCC#N)Cc3ccccn3)c2)C1	473788286	JZAPOYYIQQMCNH-CVDCTZTESA-N	406.530	5.125	30	20	HKED	
CC(C)(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(Cl)c1F	475497667	LAANXXPTWPPITF-UHFFFAOYSA-N	405.741	5.100	30	20	HKED	
C=CCCC1(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1	476751145	WLSMVGHNJHBXST-INIZCTEOSA-N	421.381	5.371	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	478664843	BWSPUIMNISEJJI-SCLBCKFNSA-N	403.910	5.091	30	20	HKED	
CCN(Cc1ccc(Cl)s1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1	479209768	CAJOGYSHWWEFNT-UHFFFAOYSA-N	417.962	5.195	30	20	HKED	
N#Cc1cccc(CN[C@@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)c1	480799230	KBXUZNZPGAJJTG-GOSISDBHSA-N	424.367	5.611	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccccn1	481378469	VHNOSRFOXZYADA-CYBMUJFWSA-N	406.433	5.278	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1Cl	483663790	SHYAWYNBAVCSDO-CQSZACIVSA-N	401.869	5.253	30	20	HKED	
CCOc1cc(O)ccc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	483857142	KERNQBAUMJPTGP-UHFFFAOYSA-N	403.438	5.407	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1	484157978	JMGKOPSRBVRDNA-KBPBESRZSA-N	423.460	5.720	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1Br	485234189	JHEUFDILFQISJF-WMLDXEAASA-N	418.722	5.406	30	20	HKED	
C[C@@H](SCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1	486573927	KGVHNLVBROMDSJ-NXTQRVMMSA-N	422.598	5.068	30	20	HKED	
N#Cc1c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)sc2c1CCCC2	500228291	JQEPHIZICVNOKP-UHFFFAOYSA-N	413.955	5.457	30	20	HKED	
C=CCOc1ccccc1CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1	500895198	JIBBWHVFDNBYOQ-UHFFFAOYSA-N	404.457	5.684	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(OCc2ccccn2)cc1	503010473	CHVWLKKVNKZULG-GOSISDBHSA-N	417.534	5.236	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1	504288144	CDEMOBHBGQRBHQ-UHFFFAOYSA-N	410.477	5.186	30	20	HKED	
Cc1nc(NC(=O)CCCOc2cccc(Cl)c2Cl)sc1SCC#N	504803401	YWNJMODGLKAIAB-UHFFFAOYSA-N	416.355	5.172	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)n2)cc1	505443528	JLYOHJSWFCNDQO-CQSZACIVSA-N	418.305	5.371	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)c2)cc1	506647013	FJLSZZGNPIZPLL-MSOLQXFVSA-N	402.416	5.249	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)cc1	506888976	CKJWMFZARWVEHD-UHFFFAOYSA-N	400.251	5.123	30	20	HKED	
CC1(C#N)CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1	508443660	FVHAMHWWLVZXPP-IBGZPJMESA-N	402.325	5.418	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1	512728074	KYSDNNJAKYCWDV-FQEVSTJZSA-N	409.942	6.114	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	512842985	DNEZUFQSWSBTIH-UHFFFAOYSA-N	408.461	5.062	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	512865348	SHLFELOACPFXRW-RTBURBONSA-N	402.416	5.966	30	20	HKED	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)c1	513682649	XORQJKZRKSAXEH-FQEVSTJZSA-N	410.498	5.634	30	20	HKED	
Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N	514603587	ZPVFWPZDIDBESF-UHFFFAOYSA-N	413.546	5.870	30	20	HKED	
CC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1	515543627	UDUBOSYOUPFNAG-IGMNZBQBSA-N	410.564	5.365	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(-c2ccccc2F)o1	518738982	IVEWARSYTNTJMI-MRXNPFEDSA-N	408.498	6.051	30	20	HKED	
N#CCCCOc1cccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)c1	519221004	DNDASLDMQUYDBX-VWLOTQADSA-N	411.505	5.112	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3NCc3ccco3)cc2)ccn1	519491268	KCRWWRXVMKWLSJ-UHFFFAOYSA-N	410.433	5.203	30	20	HKED	
COc1ccc(CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C2CC2)cc1	519498362	FASZXVTZIKWPHH-ROUUACIJSA-N	423.582	5.780	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Br	520832703	PADVCVGYWCBTCJ-ZIAGYGMSSA-N	418.360	5.140	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21	521719424	HJZYMNJQUVEIFT-CYBMUJFWSA-N	418.444	5.088	30	20	HKED	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1	524385094	ILFVCERTPFCAPD-UHFFFAOYSA-N	415.276	5.309	30	20	HKED	
C=C[C@H](CC(=O)N(CC)[C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccccc1	534682095	FVOSEFKIXGBGMV-IQGLISFBSA-N	406.476	5.658	30	20	HKED	
N#C[C@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc2ccccc2s1	536178750	GZHLIADNBQYOAU-GOSISDBHSA-N	406.470	5.397	30	20	HKED	
CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N	536568064	YOAFEAGHUNYGTF-QMHKHESXSA-N	420.509	5.355	30	20	HKED	
C=CCCC[C@@H](C)NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	538371468	WTOYGFMIQYHJAK-QGZVFWFLSA-N	405.464	5.557	30	20	HKED	
N#Cc1cccc(-c2cnc(CNc3ccc4cc(Br)c(F)cc4n3)[nH]2)c1	538508855	IIVRXTTXZYZVAQ-UHFFFAOYSA-N	422.261	5.010	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Oc2ccccc2C#N)c1	538680327	NMRJUAILWSNKRA-UHFFFAOYSA-N	405.841	5.215	30	20	HKED	
N#Cc1ccccc1COc1cccc(CNCc2cccc(CN3CCCC3)c2)c1	539713635	FEVXRQHGYGZLCJ-UHFFFAOYSA-N	411.549	5.023	30	20	HKED	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N	539754863	LNEOQLMPBHHAPI-QWHCGFSZSA-N	424.492	5.056	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)c1	541234511	WLOZDQOSBATDPZ-UHFFFAOYSA-N	420.415	5.131	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)oc2c(Br)cccc12	542021866	LYKYLKNKQSGJAK-GFCCVEGCSA-N	403.301	5.574	30	20	HKED	
CCOC(=O)COc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1	543112757	BFVSQNDUPZLNKN-LJQANCHMSA-N	414.505	5.018	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)CSc1cccc(Cl)c1C#N	543959082	DLGQBSFAMBJNRV-CYBMUJFWSA-N	401.944	5.194	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCC(OC(F)F)CC1	552139625	ONWAVKIEYSFQIM-LDUAJXOISA-N	419.312	5.223	30	20	HKED	
Cc1cc(C)c2c(c1)CN(C(=O)C1(C)CCN(c3ccc(Cl)cc3C#N)CC1)CC2	553131510	SQKFLFKFZNFIQX-UHFFFAOYSA-N	421.972	5.020	30	20	HKED	
Cc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)sc2ccc(C#N)cc12	555709248	KMFBALHLIXRDBO-MRXNPFEDSA-N	417.559	5.711	30	20	HKED	
N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2Cc2ccccc2)cc1	562260420	UMFHUPSGZJZVFX-JOCHJYFZSA-N	411.534	5.268	30	20	HKED	
CC[C@H](N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1	577227256	SZXYBOICKHDDRA-MRSJXILCSA-N	407.989	5.866	30	20	HKED	
C=CCN(C(=O)c1ccccc1OC1CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	579766262	VBLGJMIHGLILMA-UHFFFAOYSA-N	421.478	5.092	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2)ccn1	580015309	BLTREKFQOLXKFG-UHFFFAOYSA-N	418.503	5.112	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1	582977646	PPTMOYDFSHXPKJ-ORAYPTAESA-N	403.309	5.317	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1	586819236	KTGLPTCVGSVOJD-UHFFFAOYSA-N	410.449	5.446	30	20	HKED	
N#Cc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)sc2c1CCCCC2	602786109	MDSQOAIUQQWWTP-UHFFFAOYSA-N	410.470	5.452	30	20	HKED	
C[C@H](OCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	603758799	IUWXSWRQOXTHDZ-HTAPYJJXSA-N	404.897	5.539	30	20	HKED	
CC(C)(C)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cn2)cc1	607433762	BFMFWCVPGNGQOP-LJQANCHMSA-N	411.461	5.803	30	20	HKED	
N#Cc1cccc(OCc2ccoc2C(=O)N(Cc2ccccc2)CC2CCC2)c1	608805924	UBMKFYPGMZDLSI-UHFFFAOYSA-N	400.478	5.173	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3csc(Br)c3)cc2)c1	609064608	ABKRWHUGTCAYIR-UHFFFAOYSA-N	413.296	5.214	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCCO[C@@H](c4ccccc4)C3)c2)cc1	609253992	FNOCHFBSAJJFFD-XMMPIXPASA-N	413.477	5.346	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1	609647650	IHXXYTVTMMCOOU-UHFFFAOYSA-N	415.424	5.161	30	20	HKED	
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1Cc1ccccc1	610014871	YVVCZSJUEBPGGR-AUSIDOKSSA-N	404.558	5.005	30	20	HKED	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C)c1cccc(C#N)c1	610360809	HNMZQLKLIPHJBM-CYBMUJFWSA-N	411.914	5.047	30	20	HKED	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3cccc(C#N)c3)o2)cc1	610361443	ADXCGLVSSAJKGI-GOSISDBHSA-N	407.473	5.680	30	20	HKED	
N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1ccc2ccccc2n1	611211921	SLFVUIYTNCUKMP-IBGZPJMESA-N	417.490	5.668	30	20	HKED	
CC[C@@H](C)c1ccc([C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2cccs2)cc1	612056531	QFROPBKFJXTCPM-UZUQRXQVSA-N	424.591	5.342	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1cccc(C)c1	617936728	WYVDASCGKVQWEP-SFHVURJKSA-N	406.555	5.176	30	20	HKED	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H]1CCc2cc(C#N)ccc21	619532579	WYMHPJIKEGOSKE-KRWDZBQOSA-N	412.276	5.246	30	20	HKED	
Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C(F)(F)F)c1	683089314	KSKGERXAQXSRRX-GHMZBOCLSA-N	422.291	5.608	30	20	HKED	
CC(=NNc1ccc(Br)cc1F)c1c(C)nn(-c2ccccc2)c1C	728432233	KXJAPYDYYJEUEH-UHFFFAOYSA-N	401.283	5.227	30	20	HKED	
Cc1ccc(F)c(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1	730954920	OFTAKHJIBGTDDN-UHFFFAOYSA-N	413.465	5.968	30	20	HKED	
CC[C@H](C)Cc1c(C)sc2nc(SCc3ccc(OCC#N)cc3)nc(O)c12	731158052	OWWQOYLJEFFAET-ZDUSSCGKSA-N	413.568	5.489	30	20	HKED	
Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc([C@H]3C[C@@H]3C)o2)c1	732766856	ZKJUDBCYTXAXJG-YJBOKZPZSA-N	410.543	5.176	30	20	HKED	
N#CCOc1ccc(Cl)cc1CSCc1nc(-c2cccc(Cl)c2)no1	735317800	FXLYMFFXABFERS-UHFFFAOYSA-N	406.294	5.379	30	20	HKED	
Cc1ccc([C@@H]2[C@H](C)CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1	738340587	MFPKEDRWSURLHA-JYMRHQFYSA-N	410.521	5.005	30	20	HKED	
C=CCOc1ccc(OC(=O)COc2ccc(C3SCCCS3)cc2)cc1	742860470	XTGBKFMJGVKPHI-UHFFFAOYSA-N	402.537	5.105	30	20	HKED	
Sc1nnc([C@@H]2CCCCO2)n1N=Cc1c2ccccc2c(Cl)c2ccccc12	743452373	PUIDWKTYLLLNNB-IBGZPJMESA-N	422.941	5.650	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	743474739	LQJHBPZQMZOXGM-HXUWFJFHSA-N	424.504	5.406	30	20	HKED	
C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1	744029302	STTUOBXBCAJVGR-LMRWQKIVSA-N	406.791	5.110	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1C(F)(F)F	744029960	XVMVMNJCGQQFAF-WONIAPNHSA-N	406.791	5.110	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)C3(c4cccc(Cl)c4)CCCCC3)o2)c1	744639630	ZRTURDNHXBATFZ-UHFFFAOYSA-N	421.884	5.207	30	20	HKED	
Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1cccc(CC#N)c1)C(F)(F)F	746438819	YGLGFMUDQVTXQV-FQEVSTJZSA-N	413.399	5.016	30	20	HKED	
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1	747107726	AQTGPULRGGBVCM-LJQANCHMSA-N	420.852	5.102	30	20	HKED	
C[C@@H](OC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(C#N)cc1	748685464	QHBMLNGJLWCCJO-CQSZACIVSA-N	412.898	5.094	30	20	HKED	
CC(C)Oc1cccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1	756302801	QBPMZFHZOHPPOJ-VWLOTQADSA-N	413.521	5.793	30	20	HKED	
Cc1sc2ncn(N=Cc3cc(F)cc4cccnc34)c(=O)c2c1-c1ccccc1	760235367	NYEQUVOEBSSGLE-UHFFFAOYSA-N	414.465	5.003	30	20	HKED	
CCCCOc1cc(/C=C/C(=O)c2cc(Br)ncc2F)ccc1OC	762422919	BWOCUDRUOWVWEJ-FNORWQNLSA-N	408.267	5.067	30	20	HKED	
Cc1cc(Br)c2ccccc2c1NC(=O)NCc1ccc(OCC#N)cc1	764226372	NHLITCZTRFRYJP-UHFFFAOYSA-N	424.298	5.135	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1	765338765	DNTPXZQZJHILFN-RTBURBONSA-N	415.493	5.439	30	20	HKED	
Cn1nc(-c2ccccc2)c(C=NNc2ccc(Br)c(F)c2)c1Cl	769830052	VXOXJLYALWUJOE-UHFFFAOYSA-N	407.674	5.088	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(C)cc(Cl)cc32)ccc1OC	772981213	XHUQBXAPHSQWOH-UYAOXDASSA-N	414.933	5.342	30	20	HKED	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1ccccc1O[C@@H](C)C#N	781849863	NECPSNKKFUGKQB-NSHDSACASA-N	416.264	5.500	30	20	HKED	
COc1cccc(C2=CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)c1	782553952	XBVBPUCGUPTNSB-VWLOTQADSA-N	409.489	5.282	30	20	HKED	
CC(=O)c1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	783358629	OTRXFHTVIRBSQY-FQEVSTJZSA-N	404.491	5.048	30	20	HKED	
O=C(c1cc(C(F)(F)F)cnc1Cl)N(Cc1ccc(F)cc1)CC(F)(F)F	785177725	NDYBALKGJSOGEG-UHFFFAOYSA-N	414.708	5.098	30	20	HKED	
Cc1ccnc2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c12	786312781	VUDUSDDWLZWJTR-AWEZNQCLSA-N	418.305	5.181	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)[C@@H](O)c1c(F)cccc1F	789454819	FYEFUIKLEPJFIW-SIKLNZKXSA-N	402.485	5.450	30	20	HKED	
N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	802042109	AHEQEUGUGNNXFJ-IEBWSBKVSA-N	414.358	5.217	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1c(C)noc1C	802601268	OVOBKQOSKNWICX-UHFFFAOYSA-N	406.317	5.069	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(F)ccc2c1C	805855519	JRJXUYFIFAILPY-SFHVURJKSA-N	408.498	5.435	30	20	HKED	
N#C[C@H](C(=O)[C@H](c1ccccc1)N1CCc2ccccc21)c1cc(C(F)(F)F)ccn1	813218479	WFNIHIQPNIYONH-UGKGYDQZSA-N	421.422	5.081	30	20	HKED	
N#Cc1ccc(CNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1	916697433	REOLZKLQLATISP-HNNXBMFYSA-N	406.338	5.166	30	20	HKED	
CC(C)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	916930596	DOLILSJFWDCNEG-GUYCJALGSA-N	419.308	5.232	30	20	HKED	
CCCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1	916940925	XBZLWZXODOXXLT-QGZVFWFLSA-N	402.853	5.009	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCC(F)(F)F)cc2)cc1	916948676	JGGDDMOCPNKWFF-KUHUBIRLSA-N	418.415	5.102	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	918303673	DEPQIAMFAHCCRD-UHFFFAOYSA-N	404.495	5.317	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccn(C)c34)CCC2)cc1	1791250223	KXHXNHDXOHDDIF-GOSISDBHSA-N	415.537	5.138	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1	4285794	LSPFQBLFRAWITQ-QGZVFWFLSA-N	414.534	5.404	30	20	HKED	
Cc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@H](C#N)CCC#N)c(C)c1	15237972	IEGPAYMVWZMOEH-FQEVSTJZSA-N	401.539	5.011	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCCc2ccccc2)c1	22735874	FZVHXJFODUYWKP-UHFFFAOYSA-O	417.598	5.177	30	20	HKED	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1ccc(C#N)cc1	32618460	RRMKTXAAQHLOSQ-UHFFFAOYSA-N	400.265	5.101	30	20	HKED	
C[C@@H](/C(O)=N/c1nnc(SCc2cccs2)s1)n1cnc2ccccc21	50004783	VAIUOARKIJKTNT-NSHDSACASA-N	401.542	5.091	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	65744424	IEBPBJJAXHWSKS-OAHLLOKOSA-N	408.404	5.343	30	20	HKED	
N#CCCCOc1cccnc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl	72086250	VZZBQCSOROOJDI-UHFFFAOYSA-N	421.884	5.102	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cc1	303436945	AASRPDUMQMLQOE-DHIUTWEWSA-N	420.434	5.308	30	20	HKED	
Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cn1	303506042	BIJCQQLBWFYWAQ-KRWDZBQOSA-N	417.534	5.473	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1	303804716	ASMVSJGHBCMSBC-MOPGFXCFSA-N	420.415	5.380	30	20	HKED	
CCc1noc(-c2ccc(C)c(NC(=O)c3ccccc3-c3ccccc3C#N)c2)n1	430464036	UHCUYNZLUUTXDT-UHFFFAOYSA-N	408.461	5.398	30	20	HKED	
C=CCn1c(SCc2ccc(Oc3ccccc3)c(F)c2)nnc1-c1cnccn1	433389654	MHHVUUVVZYMJGK-UHFFFAOYSA-N	419.485	5.145	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3c[nH]nc3-c3ccsc3)c2)cc1	436065801	XWFZPKXCGFWKRY-UHFFFAOYSA-N	414.490	5.036	30	20	HKED	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	437862842	FXHKJMFBTORPMJ-ACJLOTCBSA-N	421.394	5.253	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	438648477	JTJRRVVZIAXWTO-UHFFFAOYSA-N	400.413	5.025	30	20	HKED	
C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1	439548352	IVOUKFBGBXGJAT-GOSISDBHSA-N	403.457	5.365	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)Nc2cccnc2N2CCCC2)cc1F	440750552	URDLUCZRDJOOKQ-UHFFFAOYSA-N	417.444	5.129	30	20	HKED	
C[C@@H](Nc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1	443519342	HZPJZHFHEYHWIJ-OAHLLOKOSA-N	411.914	5.186	30	20	HKED	
COc1cc(C)c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C	445241955	YCOCIQATEZDLBN-UHFFFAOYSA-N	415.493	5.601	30	20	HKED	
C[C@H](NC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1	460885134	RDMCTVHQBFZIFB-GKVQRAMASA-N	415.537	5.029	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)cc1	464933216	RCNNFMLEOMONJJ-OAQYLSRUSA-N	416.481	5.047	30	20	HKED	
CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F	466592955	KVQMUKVNFJRFDZ-UHFFFAOYSA-N	419.447	5.096	30	20	HKED	
C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Nc1ncccc1OCCCC#N	466606006	FGTFIQMQZTYVOX-ZDUSSCGKSA-N	419.312	5.222	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccn(C2CCCCC2)n1	470804857	WKQKEEVWALUJCX-UHFFFAOYSA-N	401.470	5.008	30	20	HKED	
O=C(Cc1ncccc1F)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	472202424	BIEALABWJJBGKR-UHFFFAOYSA-N	412.330	5.075	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	475572373	JIIMIVJPPDAHFS-FQEVSTJZSA-N	420.557	5.125	30	20	HKED	
N#CC[C@H](CC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccccc1	476721077	GSAJRCIHVZFIJF-YLJYHZDGSA-N	418.484	5.409	30	20	HKED	
Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2cc(-c3cccc(C#N)c3)no2)o1	477916599	QVQXPQHYTXWXRS-UHFFFAOYSA-N	403.825	5.687	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C	480600198	IFGCQVKVKWTMAT-UHFFFAOYSA-N	417.962	5.166	30	20	HKED	
N#Cc1cccc(CN[C@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)c1	480799231	KBXUZNZPGAJJTG-SFHVURJKSA-N	424.367	5.611	30	20	HKED	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	482988900	GVEKPLBTTBKANK-UHFFFAOYSA-N	413.477	5.506	30	20	HKED	
C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1	483632600	DJWXRIAFIVZVKR-AUUYWEPGSA-N	412.415	5.210	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)cc2)nc1	484471796	XDDYXBWGRNYQPY-IBGZPJMESA-N	415.468	5.295	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cc(F)cc1Br	487203399	OCBIKOSDFGQPCK-UHFFFAOYSA-N	422.273	5.289	30	20	HKED	
Cc1cc(CN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)ccc1C#N	488159697	HPNOUQWOOCGCPL-GOSISDBHSA-N	401.485	5.038	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1)c1ccccc1	488695413	HRXFSRHEZYZCDJ-QHCPKHFHSA-N	419.569	5.108	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C	490484639	LCXOPYPEVIBOFU-UHFFFAOYSA-N	416.934	5.031	30	20	HKED	
CC(C)(C)[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1	497388095	QKWWNLMYBYDUFS-SIKLNZKXSA-N	408.567	5.174	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC[C@@H]2C(F)F)cc1	503084011	JWCIDTTZRUDBLE-QGZVFWFLSA-N	401.413	5.011	30	20	HKED	
O=C(Nc1cccc(C#Cc2ccccn2)c1)Nc1cccc(COCc2ccco2)c1	503225650	LMRJUQXHFMNLLG-UHFFFAOYSA-N	423.472	5.435	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1	505126664	UFZVAEFCVZBYEC-HSZRJFAPSA-N	402.881	5.092	30	20	HKED	
C[C@H](NC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccc(C#N)cc1	505325198	MDSLMKGEFRMNQW-OCSRBAQYSA-N	407.517	5.216	30	20	HKED	
Cn1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c(-c2ccccc2Cl)n1	505922648	JYAHGWBFOZBFQT-KRWDZBQOSA-N	419.699	5.042	30	20	HKED	
CC[C@@](C)(C#N)C(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	507166818	FOOPEMOTSFNEJR-DEOSSOPVSA-N	401.466	5.222	30	20	HKED	
CC1(C#N)CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1	507840262	ZYQJMJNGPGFLBC-UHFFFAOYSA-N	419.377	6.052	30	20	HKED	
Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)nc(-c2ccc(Cl)cc2)n1	508126713	NUAYUZIMXRIZIJ-UHFFFAOYSA-N	404.901	5.028	30	20	HKED	
N#CCCCCNC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	509209067	GULIJTIATQQBIS-UHFFFAOYSA-N	419.407	5.165	30	20	HKED	
CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2	509223318	GZTSHQBDTDTUSV-BMRADRMJSA-N	401.897	5.361	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1	509576562	WOFYEGPRUYTPHY-AAEUAGOBSA-N	408.233	5.081	30	20	HKED	
CN(CCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	510004183	DDUQBZAOCJEYHK-QFIPXVFZSA-N	403.913	5.702	30	20	HKED	
C=C(C)COc1cc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)ccc1OC	510487734	HMFHKBLGEMQAHD-UHFFFAOYSA-N	415.480	5.023	30	20	HKED	
N#CC1(CCCSCc2coc(-c3ccc(C(F)(F)F)cc3)n2)CCOCC1	512323111	LOKRCZUSDJZRAT-UHFFFAOYSA-N	410.461	5.694	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	513954620	IUWUSXAVRBTVKD-UHFFFAOYSA-N	407.876	5.894	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)NCC(C)(C)CCC#N)c1C	516673010	HHBLGBNYPWDUDZ-UHFFFAOYSA-N	408.333	5.247	30	20	HKED	
CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	518256816	PPXKPYNOJJELKP-UHFFFAOYSA-N	401.466	5.413	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1	518516617	OPMGMAOKZQQBPT-MRXNPFEDSA-N	418.396	5.207	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(CC(F)(F)F)c2ccccn2)cc1	518539809	SFZWCRKMQNDESF-UHFFFAOYSA-N	415.346	5.094	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1	519063151	WABGXXCYZSGJCV-XMMPIXPASA-N	417.940	5.921	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](CN2CCCCCC2)C1	519450328	AHXDEXORAGDYDR-WOJBJXKFSA-N	414.619	5.058	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(OC(F)F)cc1	519671008	JCGCUUMCPFCQIO-AWEZNQCLSA-N	424.407	5.230	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc1	520004109	OYFNLUXUDFVWHW-UHFFFAOYSA-N	410.395	5.941	30	20	HKED	
CC[C@@H](NC(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Cl)cc1	520673371	DTIMNQLCLJVTRK-JOCHJYFZSA-N	420.900	5.078	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccn2)C(C)C)cc1	522131215	UJQLCAOKOBHONF-UHFFFAOYSA-N	416.481	5.197	30	20	HKED	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CCOc2ccccc21	522958200	KZHSWOGHESYOTI-OAQYLSRUSA-N	402.881	5.311	30	20	HKED	
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)n1C(C)C	524146204	HJKSPAPOENJHDF-UHFFFAOYSA-N	405.473	5.528	30	20	HKED	
Cc1c([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)oc2ccccc12	524379936	FALHJWPKAWOUPI-INIZCTEOSA-N	400.434	5.276	30	20	HKED	
CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)no1	525560341	PQCYDKYDACGRGO-UHFFFAOYSA-N	402.498	5.379	30	20	HKED	
COc1cc(Br)c(CNc2ccccc2S[C@H](C)CC#N)cc1OC	530913902	CZESOOHBPYPAEI-CYBMUJFWSA-N	421.360	5.473	30	20	HKED	
COc1ccccc1COc1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1C	534009007	ISIAGQMQIYXLSL-SFHVURJKSA-N	415.493	5.337	30	20	HKED	
N#Cc1cccc(OC2CCN(C(=O)c3cccc(-c4c(F)cccc4F)c3)CC2)c1	536054038	MHNSVTDFJVYGGD-UHFFFAOYSA-N	418.443	5.187	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3cc(C)n(CCC#N)n3)s2)cc1	537517865	SYCPPAOWLFOHKN-QGZVFWFLSA-N	422.558	5.070	30	20	HKED	
CCN(CC)c1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	538587525	JWQVBPPARLTFSA-UHFFFAOYSA-N	400.482	5.153	30	20	HKED	
CC(C)[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cc1	539323965	AOOCONONNIIKMD-IBGZPJMESA-N	400.404	5.114	30	20	HKED	
C=CCC[C@H](Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)C1CC1	540835274	GZBSJMCMRZVYEP-UZLBHIALSA-N	400.954	5.510	30	20	HKED	
N#CCc1ccc(CN[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cc1	542223444	RRQMMPHKBAUPNF-JOCHJYFZSA-N	409.302	5.533	30	20	HKED	
C[C@]12CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C[C@H]1C2(F)F	552964779	VVLOGFDOFYFBEM-QUCCMNQESA-N	402.828	5.121	30	20	HKED	
N#CCc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1Cl	554750621	OOAQVIRSJPQCLP-UHFFFAOYSA-N	416.864	5.984	30	20	HKED	
C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OCCC(C)C)CC1	555250175	DICGTPAMFDRWLG-UHFFFAOYSA-N	407.562	5.034	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[C@@H]1OCCc2sccc21	555835349	WVGLZWNUQUUCLD-MWTRTKDXSA-N	418.518	5.087	30	20	HKED	
Cc1ccc2c(C3=CCN(C(=O)Nc4cc(C#N)ccc4OC(F)F)CC3)c[nH]c2c1	556510575	ITECXFZFUCPDNA-UHFFFAOYSA-N	422.435	5.271	30	20	HKED	
Cc1nc(-c2ccccc2)c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)s1	556782253	GDFGRBQRAOAMMN-MRXNPFEDSA-N	417.412	5.012	30	20	HKED	
C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cn1)c1ccccc1	571835750	MPQOZJSUAPAKAO-QAPCUYQASA-N	405.523	5.466	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)s2)o1	572503290	PIYHMSHAUBSEED-UHFFFAOYSA-N	405.504	5.872	30	20	HKED	
CC(C)c1nc2ccccc2n1Cc1noc(-c2cn(CCCC#N)c3ccccc23)n1	589148473	XTXZCUGTOKEMMH-UHFFFAOYSA-N	424.508	5.516	30	20	HKED	
CCn1c(Sc2ccc(C#N)cn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	602373661	GAWIDHRMOYBQBV-UHFFFAOYSA-N	422.510	5.010	30	20	HKED	
C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1	603828681	VCHLNVKLAKSFRV-GAJHUEQPSA-N	415.493	5.370	30	20	HKED	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc(-c2ccccc2)cc1C#N	603969116	DOFQDRMUULRJIV-CYBMUJFWSA-N	409.492	5.314	30	20	HKED	
N#C[C@H](C(=O)c1cc2occc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1	606147397	WDOICZDXQLGXAB-LLVKDONJSA-N	419.314	6.415	30	20	HKED	
COc1ccc([C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)c2ccccc2)cc1	608782332	DVPZHVDSDJLHHJ-JOCHJYFZSA-N	402.498	5.034	30	20	HKED	
N#Cc1ccc(CSCc2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc1	609475532	GFKLPSKSBLIJIC-UHFFFAOYSA-N	414.490	5.016	30	20	HKED	
Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	609636151	WWYLJQZXGZQKIX-JOCHJYFZSA-N	412.493	5.293	30	20	HKED	
CC(C)(NC(=O)c1ccccc1)c1nc(-c2cn(CCC#N)c3ccccc23)cs1	609851409	GXUUXMQSCVRFEA-UHFFFAOYSA-N	414.534	5.344	30	20	HKED	
COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1	610051450	JNDSQJZKHGMEJD-MRXNPFEDSA-N	420.896	5.143	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)c2)c1	610171603	OHJAAEONCYUVLJ-SFTDATJTSA-N	404.416	5.158	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12	613404202	OOKMIYUNQDYZRM-ZDUSSCGKSA-N	400.381	5.860	30	20	HKED	
N#Cc1ccc2c(c1)CC[C@@H]2NCc1csc(-c2cccc(Br)c2)n1	618743184	ZJOVWCAEJHHXGS-IBGZPJMESA-N	410.340	5.221	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1Cl	619780078	CLJJOMVSIWVCMW-DLBZAZTESA-N	407.926	5.188	30	20	HKED	
O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CC(c2cccc(C(F)(F)F)c2)C1	622661554	JODAGXLVRQUMFW-UHFFFAOYSA-N	409.276	5.242	30	20	HKED	
Fc1cc(Br)cc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1	674005252	BQCVDTPSYNSHKF-AOOOYVTPSA-N	408.155	5.151	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1[C@@H](C)C1CC1	679092708	YHMUPMCZWXNNHW-SMDDNHRTSA-N	418.444	5.281	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc2cc(F)ccc2s1	683809038	GGLJYFFJQAUWKJ-ZDUSSCGKSA-N	417.387	5.442	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3cc(=O)oc4cc5c(cc34)CCC5)cc2)c1	728063056	UZNUIQJYNJYTST-UHFFFAOYSA-N	422.484	5.344	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)/C=C\c3ccc4ccccc4n3)cc2F)c1	728187003	PFEOUWVLTOGGBG-QBFSEMIESA-N	423.447	5.476	30	20	HKED	
C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nnc(-c2cccs2)o1	728668566	YOAAFDVFHVBUNE-AWEZNQCLSA-N	417.446	5.380	30	20	HKED	
N#CCOc1cccc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)c1	730172282	MAVWTXGSAXPKTC-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
C#CCOc1ccc([C@@H](C)OC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1	730430338	RIWMKKTYXYPNEV-MRXNPFEDSA-N	409.869	5.244	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1	731040491	VRPPVXYHAARGIJ-OALUTQOASA-N	422.598	5.368	30	20	HKED	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(OC(F)F)c(Cl)c2)S1	731488711	PTINLZNGEOQHHG-OQLLNIDSSA-N	408.857	5.450	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNCc2cc(-c3ccccc3)ccc2O)ccc1OC	733330409	XRWSJNMYBMLFAV-JOCHJYFZSA-N	402.494	5.039	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=S)Nc2ccccc2Oc2ccccc2)c1	733754616	IXLJIFHZJBLLDQ-IBGZPJMESA-N	417.534	5.646	30	20	HKED	
CCCN(Cc1c(F)cccc1Cl)C(=O)NCc1cccc(O[C@@H](C#N)CC)c1	733804519	FWRQUFNSAHGPCL-QGZVFWFLSA-N	417.912	5.282	30	20	HKED	
C=CC[C@H](NC(=O)N(CCc1ccc(OC)cc1)Cc1ccccc1)c1ccncc1	734678295	FSBFQCSRRKLKCP-VWLOTQADSA-N	415.537	5.162	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1	742732996	NSOVQAXMAJZUGO-UHFFFAOYSA-N	412.795	5.514	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1	743140739	VBAQZTDGVSLHRX-CQSZACIVSA-N	412.877	5.228	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3cnc(C(C)(C)C)s3)n2)cc1	744062663	UTCKPWDYNQIFJV-DOOKAGJSSA-N	423.563	5.462	30	20	HKED	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C\C1=Cc2cc(Br)ccc2OC1	746345324	DMXLICNEANAYSR-ALCCZGGFSA-N	401.304	5.058	30	20	HKED	
C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1OC(F)F	753399069	DERAWNKOSLOAPV-WKOYGUFESA-N	410.445	5.691	30	20	HKED	
N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cncc(-c2ccccc2)c1	757873508	CJXUPIQDMHHZGM-IBGZPJMESA-N	410.260	5.017	30	20	HKED	
COc1cc(OC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1C#N	767157001	NLTVQNRKYVEJFS-UHFFFAOYSA-N	417.248	5.067	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CC=C(c3ccc(CC)cc3)CC2)cc1C#N	772409239	SVEMLHFBYKLUTA-UHFFFAOYSA-N	418.497	5.010	30	20	HKED	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	772416412	HOJKCZNJPHVQJT-JWQCQUIFSA-N	413.521	5.147	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2nc(-c3ccccc3)cs2)ccc1OC	772986001	MNIZIYBUTNWUKH-APWZRJJASA-N	407.539	5.350	30	20	HKED	
CCCCCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2OCC)c2ccccc21	777301493	FENFXEHNEFQTBH-LJQANCHMSA-N	417.509	5.191	30	20	HKED	
CC(=O)N1C/C(=C/c2ccc(-c3nc4ccccc4s3)o2)C(=O)c2ccccc2C1	778519563	IIUICXNQRWYYKE-ATVHPVEESA-N	414.486	5.185	30	20	HKED	
CCC(=NNc1ccc(C(F)(F)F)nn1)c1ccc(Br)cc1Cl	780234186	BPNXVDQMYLCEIL-UHFFFAOYSA-N	407.621	5.138	30	20	HKED	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4c(C)ccnc4[nH]3)c2c1	780388365	PJXVIJFEAGPMFI-HXUWFJFHSA-N	417.472	5.280	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	780671101	PALMAYQKANGKLJ-JLTOFOAXSA-N	411.914	5.603	30	20	HKED	
CCN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1	780671279	UAUSOXIKYXMJBT-CABCVRRESA-N	405.420	5.611	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1	786955915	ARWVZFDFIVNBOO-SFHVURJKSA-N	423.944	5.574	30	20	HKED	
N#CCSc1ccccc1C(=O)NCC1(c2cccc(Cl)c2F)CCCC1	791182061	VWEKHPSEDOCCOI-UHFFFAOYSA-N	402.922	5.337	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1cnc2ccccc2n1	792107238	DGEYPRFULJCXNR-ZLNRFVROSA-N	419.484	5.189	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1	792354901	NQAFUMQXFXSNHY-LBPRGKRZSA-N	423.822	5.460	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1	793976322	IJZHVANUVQCGCP-UHFFFAOYSA-N	424.544	5.279	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	796517985	MYPBUNJXBTVLPZ-QMMMGPOBSA-N	413.540	5.005	30	20	HKED	
CCCCCCCN(C(=O)Cc1nnc(C)o1)[C@@H](C)c1ccc(Br)cc1	797357986	HFOBLHHPBBZPLK-HNNXBMFYSA-N	422.367	5.243	30	20	HKED	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCc1ccc(C#N)c(Cl)c1	800895774	NJLSCAGQCUNSGC-UHFFFAOYSA-N	405.716	5.302	30	20	HKED	
CC(C)(C)OC(=O)NCCC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccccc1	811869624	TVNHLMORPVMMIS-GOSISDBHSA-N	400.910	5.065	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)c1cc(C(F)(F)F)ccn1	813214636	AVQAHBWCFLMUDS-ZDUSSCGKSA-N	413.226	5.705	30	20	HKED	
O=C(/C(=C\c1ccc(-n2cncn2)cc1)c1nc2ccccc2s1)c1ccccc1	884003483	VBHPMTDVSHHEAM-XSFVSMFZSA-N	408.486	5.301	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CC(c1ccccc1)c1ccccc1	920106322	WYQFRFCGUJJPQV-HSZRJFAPSA-N	406.485	5.590	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(-n4cccc4)c3)n2)cc1	920140850	CMTXAOTUSFVZRF-FQEVSTJZSA-N	413.502	5.408	30	20	HKED	
Cc1sc2ncn(N=Cc3ccc(-c4ccc(C(F)(F)F)cc4)o3)c(=O)c2c1C	920362787	KPCWJPKNAWRAGM-UHFFFAOYSA-N	417.412	5.236	30	20	HKED	
COc1c(Cl)cc(Cl)cc1/C=C1\SC(=Nc2c(C)cccc2C)NC1=O	921259053	HZZUPVWFHZVYCX-NVNXTCNLSA-N	407.322	5.510	30	20	HKED	
C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)c(C)c3)cc2)CCC1	1787010667	KSVTUEGYMTWVBM-UHFFFAOYSA-N	419.569	5.439	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3oc(C)nc3C)cc2)CCC1	1789784700	RAONWLDWEXLVIC-UHFFFAOYSA-N	409.530	5.032	30	20	HKED	
C#CCCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1	1790227985	DJUSZVXGIGELJV-UHFFFAOYSA-N	415.320	5.155	30	20	HKED	
CCCCC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)ON=C(C)C)CCC2)cc1	1791313386	FCBGZUQXONQYSO-OALUTQOASA-N	415.578	5.138	30	20	HKED	
C=CCn1c(S[C@@H]2CCCCC2=O)nc2scc(-c3ccc(C)cc3)c2c1=O	4286272	CLTJAIPLRKPRNN-GOSISDBHSA-N	410.564	5.223	30	20	HKED	
Cc1c(Cl)cccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccncc1	9968287	DCSFTICQWNHLDQ-UHFFFAOYSA-N	417.925	5.455	30	20	HKED	
C=CCn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1ccc(Cl)cc1	10240399	ZLXLQRKNWONPLJ-UHFFFAOYSA-N	416.337	5.378	30	20	HKED	
Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2c(C)cccc2C)c1	11153724	VUSICBJFRXUYBX-UHFFFAOYSA-O	409.600	5.629	30	20	HKED	
N#CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1	15029426	LJBABDBTNQFEGG-UHFFFAOYSA-N	423.881	5.718	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(F)cc1	17704967	FKTOTCGTSFIUHP-LBPRGKRZSA-N	413.503	5.235	30	20	HKED	
C=CCSc1ccccc1NC(=O)CSc1ncnc2sc(C)c(C)c12	20048540	HEAVDVQSTDDHDY-UHFFFAOYSA-N	401.582	5.317	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1	62889117	DBBYHFRZCZEVCI-UHFFFAOYSA-N	421.522	5.092	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)c1ccccc1	103975584	HGQRRRDXLQSLHF-HNNXBMFYSA-N	413.930	5.060	30	20	HKED	
CCN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)[C@H](C)c1ccc(C#N)cc1	108879312	GTFIMIALYUMSOG-OAHLLOKOSA-N	401.491	5.651	30	20	HKED	
O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccccc2s1)c1ccccc1	211795575	PPGUMRFHFNDITE-FOWTUZBSSA-N	402.431	5.334	30	20	HKED	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CC#N)c3ccccc3)cc12	302381083	XGPKIBVPQXTGQY-UHFFFAOYSA-N	420.925	5.278	30	20	HKED	
C[C@@H](C1CC1)N(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccccc1	303297190	BZAPNPZXEUGMHF-MOPGFXCFSA-N	407.583	5.178	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1OC	303542402	URYMREYKVGDDRL-JLHYYAGUSA-N	422.525	5.205	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1	409799735	XPIWZCLDOSZGGY-QRKUABHPSA-N	413.477	5.513	30	20	HKED	
C=CCCc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1	410343183	DLJMAVUIEQGXTK-UHFFFAOYSA-N	406.507	5.380	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Sc3nccn3C)cc2)sc2ccc(C#N)cc12	428162079	GPMZGTMRCMIAKL-UHFFFAOYSA-N	404.520	5.218	30	20	HKED	
C[C@H]1C[C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1Cc1ccccc1	431184104	RRHDVZIUQUYHNX-DYXWJJEUSA-N	422.598	5.113	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1	435064846	HDUUXAUAWOROSS-JOCHJYFZSA-N	411.892	5.537	30	20	HKED	
C=CCN(C(=O)c1ccc(C(C)C)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	435167171	BKQUMHOAJDCQLL-UHFFFAOYSA-N	408.483	5.070	30	20	HKED	
CS[C@@H]1CCCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	435664418	SSVPXSRUTVLHBV-JOCHJYFZSA-N	409.555	5.081	30	20	HKED	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ncc2cc(C#N)ccc2n1	439088117	UHGLFVGLNMOTNI-UHFFFAOYSA-N	424.247	5.024	30	20	HKED	
COc1cc(CN[C@H](C)c2ccc(SC)cc2)ccc1OCc1cccc(C#N)c1	439472832	UUQFRHLPDPEVRN-GOSISDBHSA-N	418.562	5.719	30	20	HKED	
N#CCC[C@@H](NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1)c1ccccc1	440236286	FSKXCOAPLUXDJU-RTWAWAEBSA-N	415.497	5.018	30	20	HKED	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)[C@@H](C)CC#N	444388443	FRRRSJUBNZVRNA-AWEZNQCLSA-N	418.419	5.032	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)c1ccc(F)c(F)c1	445997668	AAPVFEFFCHIVML-UHFFFAOYSA-N	420.415	5.539	30	20	HKED	
CC[C@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(C#N)cc1	447528478	JGGVQFQUZISOPI-CJAUYULYSA-N	415.512	5.680	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccsc1	460373011	CVWINZAQKPLTPV-LPHOPBHVSA-N	412.534	5.536	30	20	HKED	
C[C@@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(C#N)c1	461735280	GXNWKFPKXULISQ-HXUWFJFHSA-N	420.516	5.173	30	20	HKED	
CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCC[C@H]1C(F)(F)F	463750288	LLJNQAJAPYEIQA-UXHICEINSA-N	401.432	5.066	30	20	HKED	
Cn1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc2cc(C(F)(F)F)ccc21	464472385	OTQJSHFHQQFXTR-CYBMUJFWSA-N	411.305	5.101	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1Cl	465662211	MRUZSQFYWJHWDL-HJPURHCSSA-N	419.912	5.370	30	20	HKED	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCSCC#N)nnc1-c1ccco1	466623878	YCCBBSYTHLKWCB-LUKYLMHMSA-N	402.589	5.274	30	20	HKED	
CC(C)c1nccn1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	467979243	VJRAQGOMTULSON-UHFFFAOYSA-N	408.889	5.353	30	20	HKED	
Cc1nc2cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)ccc2n1Cc1ccsc1	472812384	ZQRBSQTTWMCHHV-UHFFFAOYSA-N	417.538	5.135	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(OC3COC3)cc2)c1	474110913	BNHZQOUOAMPGNX-UHFFFAOYSA-N	420.852	5.034	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)CC1CCOCC1	475561250	AXNVBNKAYXNGNJ-UHFFFAOYSA-N	406.570	5.999	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1	476155757	NRVLSKOPIHDKKK-UHFFFAOYSA-N	413.517	6.786	30	20	HKED	
N#CC[C@@H](CC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccccc1	476663160	PJZCXKPKHLJHAV-RTWAWAEBSA-N	415.562	5.119	30	20	HKED	
CN(Cc1cc(Br)ccc1Cl)C(=O)C[C@H](CC#N)c1ccccc1	477094254	AZKTWOBZQMNSRY-HNNXBMFYSA-N	405.723	5.148	30	20	HKED	
C=CCC1(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)CCC1	478877890	ZFSIYNLCNPMGAQ-UHFFFAOYSA-N	416.880	5.425	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1C	480608370	IATWTJZXICOQGI-UHFFFAOYSA-N	417.962	5.166	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1coc(-c2ccc(Br)cc2F)n1	484785731	LWGHMWNIDPNVQU-UHFFFAOYSA-N	421.291	5.133	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc([C@H](C)OC)nc2C)cc1	487716060	DMBICUQDXOOIGN-AWEZNQCLSA-N	423.494	5.084	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1	488982912	NVSPYTJBLLBUCI-SFHVURJKSA-N	408.473	5.101	30	20	HKED	
C=CCn1c(SCc2csc(-c3ccccn3)n2)nnc1-c1ccc(C)cc1	489679430	YJXLXBYUJNBIHB-UHFFFAOYSA-N	405.552	5.250	30	20	HKED	
C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1(F)F	494508482	ITWNJKUFNMZVRD-KDOFPFPSSA-N	403.860	5.504	30	20	HKED	
N#Cc1ccc(NC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1Cl	495149341	XOQVTGWOSFXMRW-UHFFFAOYSA-N	402.885	5.470	30	20	HKED	
CCN(CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1	497610745	KZIJANHBQPQOOH-GJZGRUSLSA-N	404.341	5.125	30	20	HKED	
Cc1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)ccc1NC(=O)CC(C)C	502410659	XHRMTOVKYOONBS-UHFFFAOYSA-N	418.522	5.227	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1	503224350	IFXAFGAYHQMERI-LJQANCHMSA-N	422.598	5.209	30	20	HKED	
N#CCSc1cccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1	503858284	ONWWPHWHHOPXHA-OAQYLSRUSA-N	407.926	5.064	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	505778692	WSDBKKVRRDNRDG-LBPRGKRZSA-N	424.259	5.641	30	20	HKED	
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1	509647439	YPPULXQESDRMFJ-VQTJNVASSA-N	401.432	5.055	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C	510227219	HZJXQZUJTHVZJG-UHFFFAOYSA-N	405.401	5.146	30	20	HKED	
C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1	512227101	QKDCWFCEENDARH-HNNXBMFYSA-N	407.436	5.118	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1CCCN(C2CCC2)C1	512846850	RHLRCANCLGUKAF-ICSRJNTNSA-N	418.541	5.125	30	20	HKED	
COc1ccc(CN[C@H](C)c2ccc(Br)cc2F)cc1OCCCC#N	513084572	WFJZZAKBMTZHQM-CQSZACIVSA-N	421.310	5.130	30	20	HKED	
N#Cc1cnc(Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)c(Cl)c1	513635062	JEYOJLZFRVIOIF-UHFFFAOYSA-N	421.888	5.204	30	20	HKED	
Cc1cnc(-c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)o1	517508126	DRTKDSKOLVNGMA-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(F)ccc4s3)n2)cc1	517800800	JPCOBNYCMWRTEA-MRXNPFEDSA-N	403.463	5.526	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2)c1	518231866	MIJPOFULSFSTAS-UHFFFAOYSA-N	412.474	5.050	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N(C)c2ccccc2)nc1	518240002	POABLOAADSMYEJ-QGZVFWFLSA-N	402.523	5.496	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCCCC1	518684401	DRLGDKXARWZBDM-IBGZPJMESA-N	422.598	5.246	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1	518756061	XALDCFYKQITRQY-SFGWALBWSA-N	409.555	5.370	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2	519860687	SEIHPXCYVTZIBY-XMMPIXPASA-N	404.554	5.754	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(OC(F)F)c1	520856522	IRKNXHAQVDHVIC-KGLIPLIRSA-N	405.470	5.422	30	20	HKED	
C=CCn1c(Sc2cc(CC)nc(-c3ccncc3)n2)nnc1-c1cccc(C)c1	520990156	KSPPLGVFHDJETN-UHFFFAOYSA-N	414.538	5.005	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4cc(Cl)ccc4s3)cc2)nc1	521088077	DPPDHYZYMRNFKG-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2)cc1	521365844	CVYFNJYXGQXODI-HSZRJFAPSA-N	401.441	5.859	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1csc(Br)c1	521812158	IAVLDCQFAKPXBF-LLVKDONJSA-N	410.362	5.227	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccc(C#N)cc1	522085041	RDUORMUGSOAYKD-CQSZACIVSA-N	400.413	5.388	30	20	HKED	
N#CCCn1ccc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n1	522724689	HSGAGANNMIYHAS-UHFFFAOYSA-N	420.469	5.227	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl	523934085	KJNWOKVNJWNGKA-HNNXBMFYSA-N	402.325	5.194	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCO[C@H]1CCCC[C@@H]1C	524438339	AHXXQRHHZNFICX-UUOWRZLLSA-N	421.541	5.163	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1	525558957	QNWBUYMIPVYZBA-JTHBVZDNSA-N	420.434	5.308	30	20	HKED	
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccc(C#N)c2)cc1	531147644	PLJQIUZKFHJBHQ-UHFFFAOYSA-N	411.505	5.289	30	20	HKED	
N#Cc1cccc(-c2nnc(CN[C@@H](c3cccc(Cl)c3)C3CCCCC3)o2)c1	531859222	LUAPOYQJXFUPDX-JOCHJYFZSA-N	406.917	5.673	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(C)noc1C	534569790	SGSUZJOCRWMISZ-LJQANCHMSA-N	424.888	5.882	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C1CC1	534965696	DZQGUQKKMKSWNF-CQSZACIVSA-N	420.542	5.294	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1	535537707	IKWXSJJQLNEPRN-CVEARBPZSA-N	421.526	5.056	30	20	HKED	
CCn1c(-c2cccc(NC(=O)c3ccccc3Cl)c2)nc2cc(C#N)ccc21	536135871	LMSPPIUEWOUKTI-UHFFFAOYSA-N	400.869	5.501	30	20	HKED	
CC[C@@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1ccc(OC)cc1	537041202	UHUXKXCFPSUSIS-XMMPIXPASA-N	416.521	5.395	30	20	HKED	
Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)c1C#N	537828219	RKHNFWLMKRXSRK-CQSZACIVSA-N	423.925	5.065	30	20	HKED	
COCC[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(C)o1	541109088	LXDUIGVYZFLTOJ-JPYJTQIMSA-N	417.509	5.265	30	20	HKED	
Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nn1[C@@H](C)C1CC1	543156319	WWKYBTHUVIPGDH-HNNXBMFYSA-N	404.445	5.218	30	20	HKED	
CCc1ccc(NC(=O)c2nnc(CSc3cccc(Cl)c3C#N)s2)cc1	543960699	RDARIGCTHRDQQY-UHFFFAOYSA-N	414.943	5.170	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1F	550669144	YACKREOQHQRSEW-LJQANCHMSA-N	400.409	5.188	30	20	HKED	
O[C@H](CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1	559186536	RPYLJXCEDUGBEI-DLBZAZTESA-N	409.345	5.031	30	20	HKED	
N#C[C@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nnc2n1CCCCC2	559655318	KHLDWCNUULRCOX-GFCCVEGCSA-N	405.310	5.016	30	20	HKED	
N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccc3c(c1)OCCO3)c1ccccc1Cl)CC2	563963812	PSLNLEKSIYUMAR-RCZVLFRGSA-N	416.908	5.349	30	20	HKED	
COc1ccc(Br)cc1-c1nc(CSc2ccccc2C#N)cs1	575844654	GGRHBXPWVFAPSP-UHFFFAOYSA-N	417.353	5.745	30	20	HKED	
N#Cc1c(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cn2ccccc12	589958320	UEGLQDAITIJTDI-UHFFFAOYSA-N	410.506	5.178	30	20	HKED	
CCc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1cccc(Cl)c1	592974287	RSIWLJSPLQYLGJ-HNNXBMFYSA-N	424.888	5.327	30	20	HKED	
COc1ccc(-n2c(Sc3ccc(C#N)cn3)nnc2-c2ccccc2)cc1Cl	602373035	JWWLWOUUYGWVJU-UHFFFAOYSA-N	419.897	5.014	30	20	HKED	
N#Cc1ccc(OCCSCc2csc(COc3ccc(F)cc3)n2)cc1	604049597	CDYKGJQIWMOBMI-UHFFFAOYSA-N	400.500	5.045	30	20	HKED	
CCC(CC)[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccs1	604108986	YPDMWGGSTCWXJK-HSZRJFAPSA-N	424.614	5.015	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC2CCCCC2)cc1)c1nc2ccccc2n1C(F)F	605257603	SLQQZXGPEUVBNR-GOSISDBHSA-N	409.436	5.633	30	20	HKED	
COc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208866	OEGRYOVGEGRTCV-HSZRJFAPSA-N	413.477	5.728	30	20	HKED	
Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc2)cc1	609227887	VJISKFTYPJPYOK-NRFANRHFSA-N	417.534	5.045	30	20	HKED	
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1	609298227	GNGUUGLNHRHLCK-RBUKOAKNSA-N	400.503	5.136	30	20	HKED	
Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccccc3S[C@@H](C)CC#N)[nH]c2c1	609434994	JMWVUUKBRIIBHQ-OXJNMPFZSA-N	419.554	5.635	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	609504313	MDLAOVSKWSMFJH-UHFFFAOYSA-N	419.868	5.409	30	20	HKED	
Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1	609508770	TWWISKNXIPYYNT-UHFFFAOYSA-N	411.505	5.049	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)cc2)c1	609929800	NCHUSBDBGOOJFJ-FQEVSTJZSA-N	415.468	5.586	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)cc1	610162999	CCIZTKUOZAOBNJ-QHCPKHFHSA-N	423.476	5.110	30	20	HKED	
Cc1ccc(-c2c(C)sc3nc(CN[C@@H](C)c4cccc(C#N)c4)nc(O)c23)cc1	611388510	IXGUKFISXFVGEP-HNNXBMFYSA-N	414.534	5.403	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1	611548481	YKDBTXBJUNIVHX-QAPCUYQASA-N	402.416	5.462	30	20	HKED	
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	619773788	BFYKRHDOTHGKOD-XDHUDOTRSA-N	418.566	5.279	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1C(F)(F)F	622284196	SKQLUDWIZXEFGH-UHFFFAOYSA-N	419.218	6.134	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2OCCN2CCCC[C@@H]2C)n1	672586273	RACGGZKNKRRYQG-PKOBYXMFSA-N	411.571	5.010	30	20	HKED	
O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)(F)F	678749063	YLTJOZQPKZPJPW-RKDXNWHRSA-N	423.275	5.225	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2n1C(F)F	727629443	WYFITGZKPHTWQO-AWEZNQCLSA-N	419.353	5.358	30	20	HKED	
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1	728062577	PAKONGVHNXPHDZ-WOJBJXKFSA-N	413.521	5.124	30	20	HKED	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	729038414	RIWOHWPAIAEULG-MRXNPFEDSA-N	417.465	5.256	30	20	HKED	
Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)sc2c1	729188163	KUTUJACDHVFADD-GFCCVEGCSA-N	421.280	5.617	30	20	HKED	
C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1csc2ccccc12	730029024	DQMNPGAIYWLYBK-INIZCTEOSA-N	405.523	5.087	30	20	HKED	
Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1ccc(O)cc1	730149864	ZUSCKRPSLNDQQX-FLIBITNWSA-N	400.297	5.483	30	20	HKED	
COc1cc(C#N)cc(Cl)c1OC(=O)CCc1nc2cc(Cl)ccc2s1	730452843	IOOQIFJACGFZOX-UHFFFAOYSA-N	407.278	5.022	30	20	HKED	
CC(C)(Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	733052553	LWABJNUEZJKNOQ-AWEZNQCLSA-N	405.306	5.637	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2ccc(Cl)c(Cl)c2)ccc1OC	733210971	HSVPFFDVVWYGOZ-AWEZNQCLSA-N	424.353	5.170	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNc2ncnc3sc4c(c23)CC[C@H](C)C4)ccc1OC	733301823	DSXOQORYOYFLMA-GOEBONIOSA-N	422.554	5.118	30	20	HKED	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	735742897	KHWSPBYMBHIUQM-AKIFATBCSA-N	405.542	5.305	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3nccs3)c2)cc1	737321825	BUAQCDAVXXZVAO-YWZLYKJASA-N	419.506	5.410	30	20	HKED	
Cc1oc(-c2ccccc2F)nc1C(=O)N(Cc1ccco1)c1ccccc1C#N	737494282	XHSQCFPBPBOQOA-UHFFFAOYSA-N	401.397	5.101	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(SC)cc3)n2)cc1	741113547	SUWJCOOXUGXFDS-IFXJQAMLSA-N	424.547	5.184	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccc(S(=O)(=O)CC(F)F)cc1	741851626	BYYNWJVDQGJHSN-YRNVUSSQSA-N	420.408	5.021	30	20	HKED	
C=CCOc1ccc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1Cl	742715669	UMQNVSBASQUHLN-CYBMUJFWSA-N	404.297	5.459	30	20	HKED	
Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1	743152231	OSYGRAORBNHDKL-RBUKOAKNSA-N	408.571	5.037	30	20	HKED	
COc1cc(Br)c(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cc1O	745990299	QHFJSLZVEVECIG-VOTSOKGWSA-N	410.267	5.121	30	20	HKED	
Cc1ccc(-c2cnc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1	745993837	SRVYRRXQMISTHT-UHFFFAOYSA-N	413.452	5.852	30	20	HKED	
N#Cc1cc(F)c(C(=O)O[C@H](c2ccc(Br)cc2)C(F)(F)F)c(F)c1	755377535	BSRLVENVRGDTBK-CQSZACIVSA-N	420.131	5.059	30	20	HKED	
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc2ccccc2s1	758365886	GJSOSPLGDOVUEO-UHFFFAOYSA-N	401.516	5.530	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2ccccc2cc1OC(F)F	761667330	XDRYIIASTJPWRN-UHFFFAOYSA-N	417.415	5.190	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)c1	761850741	NSTVTJYKVTUFRP-VGOFRKELSA-N	409.555	5.363	30	20	HKED	
N#C[C@@H](C(=O)Cc1cc(Br)ccc1F)c1nc2cc(Cl)ccc2s1	763274590	SSTYYPJDVPGDBL-LBPRGKRZSA-N	423.694	5.270	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(C)ccc2F)cs1	763292012	GHYNYCYHJJJDNZ-POHAHGRESA-N	414.889	5.825	30	20	HKED	
CC[C@H](C)[C@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1	763759526	XQJRLMRVEFXPTF-UUOWRZLLSA-N	402.494	5.111	30	20	HKED	
N#C[C@H](C(=O)CCc1cncc2ccccc12)c1nc(-c2c(F)cccc2F)cs1	765589997	OECMVWARRZEGQO-QGZVFWFLSA-N	419.456	5.446	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)C1CCN(C(=O)OC(C)(C)C)CC1	766237200	LOENIOYGNXMYSB-FXAWDEMLSA-N	421.541	5.084	30	20	HKED	
C#CCC(C)(C)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C	767091336	JFBLHWHVTMCLBL-CYBMUJFWSA-N	405.361	5.108	30	20	HKED	
N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(Oc2ccccc2Cl)nc1	774313644	UQHMGZVIHQTRLK-INIZCTEOSA-N	414.795	5.097	30	20	HKED	
CCN(C)[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	780311467	CDAIFJVVSOVDCP-ICSRJNTNSA-N	409.942	5.333	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)c(C)c2)n1	780542489	ZGEOTYHSQVESCS-HNNXBMFYSA-N	424.551	5.846	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	780585507	OXYPXBOHAGFJQG-OAHLLOKOSA-N	416.412	5.425	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2cc(Br)c(Cl)s2)c2ncc[nH]2)c1	790220677	ZYVQGNZJWCAWBS-MDWZMJQESA-N	423.719	5.319	30	20	HKED	
N#Cc1ccc(CSc2nnc(NCc3ccccc3N3CCCCC3)s2)cc1	790517082	AIDMDVYCHYWIME-UHFFFAOYSA-N	421.595	5.304	30	20	HKED	
N#CCOc1ccc(CC(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	791905654	DWOWANBKLVHPEO-NRFANRHFSA-N	416.443	5.294	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C	793946474	AQUIYLJFAMCUJK-UHFFFAOYSA-N	408.542	6.446	30	20	HKED	
C[C@@H](NCC1(c2ccc(Br)s2)CCC1)c1ccc(OCC#N)cc1	797009331	RHVWEIKSLUHVET-CQSZACIVSA-N	405.361	5.185	30	20	HKED	
C=CC[C@@H](OC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1	797554419	JIBRQZVZYRNNMO-GOSISDBHSA-N	413.322	5.012	30	20	HKED	
Cc1ccc(CCC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c(Br)c1	797572055	UGSWDLGJOIELKB-AWEZNQCLSA-N	405.361	5.321	30	20	HKED	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	801666198	RFIKTSIPLLHKDU-HNNXBMFYSA-N	422.300	5.332	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1	802045702	VRTDKEWJYCJULD-JXFKEZNVSA-N	402.519	5.629	30	20	HKED	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	802053574	WPOCNKMBWCLKCG-PWRODBHTSA-N	402.519	5.361	30	20	HKED	
C#CCCOc1ccc(CNCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1	808432602	SEGPZTDPNKZHHV-UHFFFAOYSA-N	420.553	5.066	30	20	HKED	
Fc1c(F)c(F)c(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c(F)c1F	849205482	GBOMQVNJMRDUPQ-UHFFFAOYSA-N	424.297	5.326	30	20	HKED	
N#Cc1cccc(COc2ccc(NCc3ccc(F)c(F)c3O)cc2Cl)c1	864004410	NFWMQGAZZIWDJC-UHFFFAOYSA-N	400.812	5.387	30	20	HKED	
N#Cc1ccc(Br)c(CNc2ccc(OCC(F)(F)F)c(Cl)c2)c1	864028417	VULOZWSNEDQEKA-UHFFFAOYSA-N	419.628	5.527	30	20	HKED	
Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915087513	VMRNSVMZELXDRS-IBGZPJMESA-N	415.543	6.088	30	20	HKED	
C=CCn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)c(Cl)n1	915212653	LDKCSHPSFNYEAJ-UHFFFAOYSA-N	410.852	5.273	30	20	HKED	
CCN(CC)Cc1cc(C(C)=NNc2ncc(C(F)(F)F)cc2Cl)ccc1O	916541283	NKOKLHHRBNMABX-UHFFFAOYSA-N	414.859	5.137	30	20	HKED	
N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc2cccc(Cl)c2c1Cl	916913256	VVFVKEIVUHGPOE-VIFPVBQESA-N	423.708	5.823	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc(C)c(C)c3)n2)cc1	920143473	QDUHAXDCCVHSDW-FQEVSTJZSA-N	422.575	5.794	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1	1820801899	CXXNYKCQGJBWIM-LJQANCHMSA-N	400.567	5.141	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1	1828408977	RMZYFGAWGHDZCT-JOCHJYFZSA-N	418.597	5.047	30	20	HKED	
CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(C)c2)c1	10174661	DIMYFFDBATXSEY-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2cccc(C3SCCS3)c2)cc1OC	15037318	ZHFJACNGPZTBDO-CSKARUKUSA-N	413.564	5.391	30	20	HKED	
CC(C)c1ccc(-n2ccnc2SCC(=O)Nc2ccccc2SCC#N)cc1	21430673	NYESYENMAUMULX-UHFFFAOYSA-N	422.579	5.342	30	20	HKED	
Cc1nc(-c2ccccc2)sc1/C(O)=N/c1nc(CN2CCC[C@@H](C)C2)cs1	28677757	AVUMYKAPJHWWRI-CQSZACIVSA-N	412.584	5.443	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)NCc1ccc(COCc2ccccc2)cc1	46147490	ARIRYJIKFIYZLM-UHFFFAOYSA-N	406.551	5.363	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1	48103458	FSECJTJHFXLGTF-IBGZPJMESA-N	418.541	5.017	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	56212997	GPTKLPWVDHGCEL-UHFFFAOYSA-N	409.873	5.225	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c(OCCC)c(OCC)c1	62904796	CHERYSCFYSEAFC-UHFFFAOYSA-N	412.917	5.228	30	20	HKED	
C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccncc1	98070848	LYMLIRSKPLOVEH-UHFFFAOYSA-N	409.902	5.127	30	20	HKED	
C=CCn1c(SCc2ccc(OC(F)F)cc2)nnc1-c1ccc(OC)cc1	302995176	LWNZDRHEYRHZDX-UHFFFAOYSA-N	403.454	5.033	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1	303010111	OPLHUWNUWVTQES-HSZRJFAPSA-N	412.493	5.895	30	20	HKED	
CCOc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)C(C)C)cc1OCC	409513215	LXCKRDZVVJPABP-UZUQRXQVSA-N	409.530	5.113	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCC(F)(F)F)c1)c1nc2cc(Cl)ccc2s1	431134871	DTJPXDLDXGVKQQ-CYBMUJFWSA-N	410.804	5.381	30	20	HKED	
Cc1nc(-c2ccc(CCNC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)cs1	431759776	JMKYGTYFPSQMLC-JOCHJYFZSA-N	418.566	5.395	30	20	HKED	
COc1cc([C@@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1OC(C)C	431813444	WHZUUTFLEWLCRS-WIYYLYMNSA-N	409.530	5.278	30	20	HKED	
COc1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c(OC2CCCC2)c1	431965231	FPWYXVVJFSSWDY-QHCPKHFHSA-N	421.541	5.251	30	20	HKED	
C=CCN(CCC#N)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C	432949549	MCPSCXPJFZFXCX-UHFFFAOYSA-N	419.504	5.665	30	20	HKED	
N#CCCC[C@H](NCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1	433023199	NUDZIKGGIXFNQD-KRWDZBQOSA-N	401.297	5.568	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C)c1ccccc1	435599040	UTKZGAGOIMERHA-OAQYLSRUSA-N	423.582	5.013	30	20	HKED	
Cc1oc(C#N)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	435769648	LEFOVIFVGHIUGW-CQSZACIVSA-N	402.262	5.380	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(COC(C)(C)CC)c2C)c1	439343012	BULYKEIGLOELFE-UHFFFAOYSA-N	424.541	5.232	30	20	HKED	
Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)c2)n1	442214185	IRIDAYBNMSJFCS-UHFFFAOYSA-N	416.359	5.373	30	20	HKED	
CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	443885278	PSIRMPYEBGYBAC-UHFFFAOYSA-N	417.431	5.092	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1	444154385	DBUWUTUNZNVEEB-HNNXBMFYSA-N	400.320	5.004	30	20	HKED	
CCS[C@@H](C)c1noc(CN(C)CCC(C#N)(c2ccccc2)c2ccccc2)n1	444648844	OHHACTIIBPRWAY-IBGZPJMESA-N	420.582	5.215	30	20	HKED	
CCN(CCC#N)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1	444932365	MCHMVHOEMTUBEG-UHFFFAOYSA-N	400.891	5.509	30	20	HKED	
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CCOCC2)[C@@H]1C	460371692	CDUYHEZNYOAKJL-SFTDATJTSA-N	424.589	5.006	30	20	HKED	
COc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1	461721746	FRHVZHRSSMYGJD-HOYKHHGWSA-N	423.516	5.100	30	20	HKED	
C[C@@H](C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1cccc(C#N)c1	461788726	KQHZWRJWCGLFOA-CQSZACIVSA-N	409.942	5.331	30	20	HKED	
C[C@H](C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1cccc(C#N)c1	462481850	CKUNHHCZBCYZDY-AWEZNQCLSA-N	421.859	5.345	30	20	HKED	
Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1	464052755	RNLZEEJPRDNVEO-DNQXCXABSA-N	414.505	5.447	30	20	HKED	
N#CCSCCCSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1	466619015	VRPZYDDTBDBBGA-UHFFFAOYSA-N	407.992	5.294	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2cccc3cc[nH]c23)cc1OCC	466890818	MDWRJMNQCZLXNH-UHFFFAOYSA-N	415.331	5.184	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NCc3nc(-c4ccccc4)cs3)ccc21	468973917	KVRPCDDJBZSXOY-UHFFFAOYSA-N	402.523	5.005	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCS2	469289236	UOUFYJXMZJYNDR-NRFANRHFSA-N	405.567	5.535	30	20	HKED	
N#Cc1ccc(-c2nnc(CNc3ccc(F)cc3-c3ccc(Cl)cc3)o2)cc1	471652394	DZNNXZBYNWZRRZ-UHFFFAOYSA-N	404.832	5.680	30	20	HKED	
N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(Cl)cc2C(F)(F)F)CC1	471827607	QQDORQJHONOMJQ-UHFFFAOYSA-N	422.834	5.350	30	20	HKED	
Cc1cc(Br)c(F)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	473856053	UOFWRHOQEQKPAU-HNAYVOBHSA-N	416.294	5.200	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2OCCOc2ccccc2)n1	474432951	LTABPBHTFURPDU-IBGZPJMESA-N	406.507	5.214	30	20	HKED	
N#CC[C@H](CC(=O)Nc1ccccc1NCc1ccc(Cl)cc1)c1ccccc1	476698283	YJBLRVMCADPGSB-HXUWFJFHSA-N	403.913	5.978	30	20	HKED	
N#CC[C@H](CC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1	476764619	OAXSGCOESSNOEP-QGZVFWFLSA-N	401.491	5.260	30	20	HKED	
Cc1nc([C@@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)oc1-c1ccc(Cl)cc1	477273939	CNCMHXPTOQPGBP-QGZVFWFLSA-N	421.928	5.780	30	20	HKED	
C=CCn1c(S[C@@H](C)c2cccc(Br)c2)nnc1-c1ccccn1	481380636	ZJLBIGMXGRAXPU-ZDUSSCGKSA-N	401.333	5.142	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1	482543925	NINWQAXNNKERED-UHFFFAOYSA-N	421.909	5.195	30	20	HKED	
CC(C)(C)c1cnc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1	484525229	YFKOQGYVLUZIEH-IBGZPJMESA-N	421.928	5.852	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2ccc(-c3ccco3)cc2F)c1-c1ccccc1	489394703	DUEUYVAVFSCCMW-UHFFFAOYSA-N	400.413	5.115	30	20	HKED	
C=CC[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccccc1	489694810	ZRIWERUCPRBGKW-LJQANCHMSA-N	424.953	5.630	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)cc4)c3)CCO2)c1	492946144	QMYASGPWEFWYIQ-FQEVSTJZSA-N	408.910	5.154	30	20	HKED	
C=CCC[C@@H](N[C@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1	495080826	SCFBISNYQZOTRK-IIBYNOLFSA-N	404.476	5.765	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3nsc4ccc(C)cc34)n2)cc1	497363404	KSYIYWNBHFGSTA-MRXNPFEDSA-N	405.504	5.227	30	20	HKED	
CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1ccccn1	497895202	BAOREJOCUFNVIB-UZUQRXQVSA-N	419.912	5.012	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)c1ccc(Br)cc1	499726730	QNSYJYHYLCCPEG-KBPBESRZSA-N	403.345	5.586	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1c(Cl)cccc1Cl	499818784	ZIFJUSZUYXXCTR-ZENOOKHLSA-N	413.226	5.497	30	20	HKED	
CC(C)c1nccn1Cc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1	502270797	QWZYKODUOPPXJV-UHFFFAOYSA-N	417.513	5.381	30	20	HKED	
C=CCn1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nnc1-c1ccccc1	503212922	YLMGZLZHDAXQSR-UHFFFAOYSA-N	416.337	5.378	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)o2)cc1	504140149	JBWVSUFQDXKBNL-UHFFFAOYSA-N	418.783	5.237	30	20	HKED	
Cc1cccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cs2)c1	505341948	DZRMMZHEFBFXOW-QGZVFWFLSA-N	416.333	5.349	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2ccccc2C)C1	508477457	LLWUPFXHOAFLRJ-LJQANCHMSA-N	420.582	5.067	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)nc3C)n2)cc1	509535327	GPLSESMETBPBCF-OAHLLOKOSA-N	401.413	5.331	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	510656728	GQHTVIKJGMEULF-QGZVFWFLSA-N	401.466	5.584	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1	511372526	IUMYOQRESRUQOL-OXGLLWLOSA-N	415.537	5.278	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N2CCCc3cc(F)cc(F)c32)c1	513490892	GNUHNJLLHFNBGK-UHFFFAOYSA-N	404.416	5.008	30	20	HKED	
N#Cc1ccc(CNCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)cc1	513643641	PXYRTRBCXDPCNP-UHFFFAOYSA-N	407.473	5.828	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cccs4)n3)n2)cc1	516270455	ZGQBZHOSLCPECN-CQSZACIVSA-N	423.544	5.494	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1	517360599	KMHAAXCFXNNKDN-UHFFFAOYSA-N	423.447	5.728	30	20	HKED	
C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	520514563	OFMZENLRYVWAMC-IIBYNOLFSA-N	423.944	5.019	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2ccc(Cl)cc2)cc1	521209009	NAJMGFBJPBTPIJ-UHFFFAOYSA-N	411.933	5.208	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21	521719428	HJZYMNJQUVEIFT-ZDUSSCGKSA-N	418.444	5.088	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc2cc(Cl)ccc2s1	523047780	URRRZUIPRJEKAV-OAHLLOKOSA-N	406.854	5.022	30	20	HKED	
CC(C)C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)N[C@@H](C)c1ccccc1	524257782	BLFRIVMKFFFNIA-CVDCTZTESA-N	406.574	5.375	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3c(Cl)cccc3Cl)c2)cc1	530623790	UOJFHDSCCZEUCL-UHFFFAOYSA-N	411.288	5.891	30	20	HKED	
CCO[C@@H](C)c1nc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1	533030805	KZARDJOOYSRCFQ-KRWDZBQOSA-N	409.530	5.454	30	20	HKED	
C=CCc1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc(OC)c1OC	533724271	PWGJORGUYQFJOS-OAHLLOKOSA-N	402.560	5.154	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(-c4ccc(Cl)s4)[nH]n3)cc2)nc1	534556196	PPDZERITBPHNIX-UHFFFAOYSA-N	421.869	5.103	30	20	HKED	
CCN(C(=O)Cc1c[nH]c2cccc(Br)c12)c1ccc(C#N)c(Cl)c1	538074067	ULOMWRFXBXAZSV-UHFFFAOYSA-N	416.706	5.051	30	20	HKED	
N#Cc1cc(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)ccc1Cl	541789104	IEECINLPYSXPRP-IBGZPJMESA-N	411.292	5.232	30	20	HKED	
C=CCCO[C@H](C)c1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	547254295	SCAJHXINNMBOBP-GFCCVEGCSA-N	406.269	5.884	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(F)cc1Br	547670596	KQYPLOCUNNGINQ-LBPRGKRZSA-N	422.323	5.162	30	20	HKED	
CC(C)c1ccc([C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(C)C)cc1	548822758	HFRWRKDTTJEFTM-HSZRJFAPSA-N	404.558	5.169	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(Cl)cc(F)c1Br	550312805	WLVCBZIZWMXWIQ-UHFFFAOYSA-N	413.699	5.500	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4cccc5cccnc45)cc3)[nH]c12	552090282	FWBMWNBGAWMRIY-NRFANRHFSA-N	402.457	5.577	30	20	HKED	
CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	558510575	ANRJPDBVNONBSR-JOCHJYFZSA-N	401.470	5.146	30	20	HKED	
C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C[C@@H](CC#N)c1ccccc1	561067228	IXBQQCXJKJWQJS-BLIXFSHQSA-N	416.443	5.081	30	20	HKED	
CSCC[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1	567425708	SBNSZANPAZKNNP-LJQANCHMSA-N	409.338	5.551	30	20	HKED	
COc1cc([C@@H](C)NCc2ccc(C#N)cc2C(F)(F)F)ccc1OCC(C)C	569772770	JLJDCXDSBDILGF-OAHLLOKOSA-N	406.448	5.471	30	20	HKED	
Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cnn1-c1ccc(Cl)cc1	577246367	BRYBLVBJELYJQJ-UHFFFAOYSA-N	412.880	5.625	30	20	HKED	
CC(C)(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc12	590388817	WWBLSMBJQQHCPP-INIZCTEOSA-N	402.479	5.134	30	20	HKED	
CC(C)Sc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1	591861826	FKRMJZDFHJEARR-CQSZACIVSA-N	414.502	6.079	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)n1	602756507	SVZUTEPFUOLTTP-KRWDZBQOSA-N	407.461	5.060	30	20	HKED	
COc1ccc(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1	603532333	BXSJNNDVASXDQJ-UHFFFAOYSA-N	402.469	5.180	30	20	HKED	
CCCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(C)C)cc1	603705798	YNXKRWWXRPIRTF-OAQYLSRUSA-N	411.933	5.006	30	20	HKED	
N#C[C@H](C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc(-c2ccc(Cl)cc2)cs1	603836599	LXRMHSHBAXSGRN-CQSZACIVSA-N	422.853	5.343	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1	603968575	CLIAIHQIANYCHY-UHFFFAOYSA-N	404.882	5.378	30	20	HKED	
Cc1[nH]c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2c1C	604452895	WHVRIKIZWJYIQK-UHFFFAOYSA-N	411.465	5.165	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CSCc3ccccn3)cc2Cl)c1	609062276	KFQCQHFAZQRVLK-UHFFFAOYSA-N	423.925	5.058	30	20	HKED	
CC(C)(C)c1csc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1	609208546	RHXZJQORGYNGOZ-UHFFFAOYSA-N	406.511	5.426	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1	609435152	SNJAFSRFENQAKT-IAGOWNOFSA-N	420.538	5.634	30	20	HKED	
C[C@@H](OCCCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1	609658989	GLAXIRUJDJUCPV-HXUWFJFHSA-N	414.505	5.035	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cn2)cc1	610039863	FDAJCJWPBILJBP-UHFFFAOYSA-N	402.841	5.061	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(Cl)cc2)cs1	613320035	QEEQVDRJXTUSMH-SFHVURJKSA-N	421.909	5.302	30	20	HKED	
CCn1c(C)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C	613346659	MWZBMUDWKLTPHU-MRXNPFEDSA-N	418.349	6.045	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12	613404187	OOKMIYUNQDYZRM-CYBMUJFWSA-N	400.381	5.860	30	20	HKED	
N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3cc(F)ccc3C(F)(F)F)no2)cc1	615131221	HQJHOZVRDKTGMX-QGZVFWFLSA-N	402.351	5.108	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1	615822476	YRNPRAHTABPFMQ-HNNXBMFYSA-N	402.869	5.793	30	20	HKED	
C[C@H](CN(C)C(=O)c1cc2ccccc2n1CC#N)Oc1ccc(Cl)c(Cl)c1	615890682	SMADRKJVRFIWDO-CQSZACIVSA-N	416.308	5.011	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	619743928	INMZJBZNXLYTMA-UHFFFAOYSA-N	416.978	5.679	30	20	HKED	
CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1	619849285	ZXDYEEUGFFLSGT-FQEVSTJZSA-N	403.983	5.010	30	20	HKED	
N#C[C@@H](C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nc2cc(F)ccc2s1	674407967	RMTXCZRXDSBBAD-INIZCTEOSA-N	405.429	5.490	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1	677570668	NSIASWDFSRUUKF-GOSISDBHSA-N	413.506	5.004	30	20	HKED	
N#C[C@H](C(=O)c1cnc([C@@H]2CCCO2)s1)c1nc2cc(C(F)(F)F)ccc2s1	677710791	UJVWEPUKUBDWAW-PWSUYJOCSA-N	423.441	5.113	30	20	HKED	
N#C[C@@H](C(=O)c1cccnc1OCc1ccccc1F)c1nc2cc(F)ccc2s1	682991344	HESGNLBQLUYDOU-INIZCTEOSA-N	421.428	5.039	30	20	HKED	
Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c[nH]c2c1	726321915	PAIXHCBCUVEEEE-GOSISDBHSA-N	405.910	5.672	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2ccc(Cl)cc2)n1	726755478	OTTCPUJNCQFDNC-UHFFFAOYSA-N	418.909	5.213	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1	727629171	SMSADNZPHJQRAC-CQSZACIVSA-N	424.831	5.657	30	20	HKED	
N#CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1	727935381	ROUQGSAHCMMLMB-UHFFFAOYSA-N	407.857	5.356	30	20	HKED	
C[C@@H](C#N)Oc1ccc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cc1	728700727	UXUVSKUAKDLXQX-SZHLLGMXSA-N	410.498	6.011	30	20	HKED	
COc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1O	729557538	SSDVUFZAXRLRJT-IBGZPJMESA-N	421.884	5.031	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccccc1O[C@H](C)CC	729890007	WBVSTWUZIUMIRS-RFDCBEHRSA-N	418.537	5.349	30	20	HKED	
C#Cc1cccc(NC(=S)N[C@H](c2cccc(OC)c2)c2ccccc2Cl)c1	741494658	BRXDHMQLKIUDKX-JOCHJYFZSA-N	406.938	5.406	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)n1	747198880	MTCKIRZXJIHYCO-CTWPCTMYSA-N	415.603	5.088	30	20	HKED	
COc1cc(C2(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)CCC2)ccc1C	750397722	RAGCVKGJSVWUCN-MRXNPFEDSA-N	410.926	5.565	30	20	HKED	
O=C(/C=C\c1cnc(-c2ccccn2)s1)c1ccc(OC(F)F)cc1OC(F)F	753133335	BSZQICOSZCQPLH-ALCCZGGFSA-N	424.375	5.304	30	20	HKED	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1	753908564	YJZNFZQKELKASY-UHFFFAOYSA-N	416.934	5.676	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(-c4ncco4)c3)c2)s1	754476596	NNUAMFDRPVASSC-UHFFFAOYSA-N	400.463	5.263	30	20	HKED	
CC(=O)C(C)(C)CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	755750181	GQAHFPWRSGZVRQ-AWEZNQCLSA-N	409.338	5.689	30	20	HKED	
N#C[C@@H](C(=O)Cc1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	756232216	SGZDNVCVBBZASY-ZDUSSCGKSA-N	423.271	5.814	30	20	HKED	
C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4ccccc4SCC#N)cc3)ccc2O1	757228644	GJHLXBHLEJWIHC-KRWDZBQOSA-N	414.530	5.223	30	20	HKED	
N#Cc1ccc([C@@H](O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1	763233495	TZZQKLAXBJINCR-SFHVURJKSA-N	407.495	5.195	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)cc1	766843887	MTCAINUFAQXESP-OWCLPIDISA-N	423.419	5.079	30	20	HKED	
N#CC1(C(=O)OCc2ccc(Oc3cccc(Cl)c3Cl)cc2)CCOCC1	767402984	YWVYYWOTWBBFEM-UHFFFAOYSA-N	406.265	5.149	30	20	HKED	
CN(C)CC1CCN(c2ccc(NC3CCC(C#N)(c4ccccc4)CC3)cc2)CC1	770428027	GZQBRWKEXBVHHD-UHFFFAOYSA-N	416.613	5.281	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1	772984156	MSFBQXCKKLPYBV-XXBNENTESA-N	400.522	5.894	30	20	HKED	
CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc(CSc2ccc(C#N)cc2)n1	779591578	VFJILMBSVFHOMD-QGZVFWFLSA-N	414.531	5.086	30	20	HKED	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	783070808	XENGLCDHUZYTMC-SMDDNHRTSA-N	423.341	5.094	30	20	HKED	
C[C@H](NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccccc1)c1ccc(Cl)cc1Cl	787047835	DHZYQPGEOWZMKI-GLJUWKHASA-N	403.309	5.073	30	20	HKED	
N#C[C@@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1	787828297	KXJADGSYDRQTGY-QGZVFWFLSA-N	422.312	5.382	30	20	HKED	
C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccccc1-c1ccccc1	796042998	MWGOSVMTDULHHZ-GOSISDBHSA-N	412.489	5.339	30	20	HKED	
COc1cc(/C=C2\CCc3[nH]c4ccccc4c3C2=O)cc(OC)c1OCC(F)F	809157787	NUSXABBULBTOFX-NTEUORMPSA-N	413.420	5.042	30	20	HKED	
N#C[C@H](C(=O)CCCc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1	813212681	FHTORJDDIRINRY-HNNXBMFYSA-N	400.322	5.318	30	20	HKED	
CCCCOc1ccc(C=NOCc2nc(-c3cccs3)oc2C)cc1OC	818252196	FZHDFSNBNLFADT-UHFFFAOYSA-N	400.500	5.450	30	20	HKED	
CSc1nc(C2CC2)cc(-c2nc(-c3ccsc3C(F)(F)F)no2)c1C#N	904921631	BFZAWHMDXPPUQK-UHFFFAOYSA-N	408.430	5.350	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNCc2ccc(Cl)cc2Cl)cs1	914696742	LFVDUANIXATIIW-UHFFFAOYSA-N	419.337	5.258	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1	915085349	ATZMTPLXPDKZLF-XMMPIXPASA-N	418.500	5.657	30	20	HKED	
Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3s2)c1	915098257	OJEUIEISRJVOQK-INIZCTEOSA-N	418.547	5.067	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1cccc([N+](=O)[O-])c1	916136609	XIFUEUWAGOUWRN-BQYQJAHWSA-N	415.268	5.377	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(F)cc1F	916272569	BRLNGMPUIIUBCC-UHFFFAOYSA-N	415.852	5.247	30	20	HKED	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1	916912808	LVMABHSCXUSCRM-QFIPXVFZSA-N	402.425	5.142	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1	916914630	PLAMQQRDXOYVIS-FQEVSTJZSA-N	404.441	5.389	30	20	HKED	
CC(C)(C)c1ccc(OCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	916928177	VSBKQQDFVIPZOG-INIZCTEOSA-N	419.308	5.017	30	20	HKED	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1	916976540	RYPPQHVLGGLOTC-JLTOFOAXSA-N	422.937	5.596	30	20	HKED	
CCCOc1cccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1	917536443	WCWNNVHXLJHSJF-UHFFFAOYSA-N	403.507	5.104	30	20	HKED	
C=CCSc1nc2ccccc2n1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	918735385	MMKZXVJANWCSCQ-CHWSQXEVSA-N	423.426	5.335	30	20	HKED	
COc1ccc2c(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)coc2c1	920806748	PHADTVTXCTVKNV-HNNXBMFYSA-N	424.428	5.262	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cscc3OC)cc2)CCC1	1788827097	USIUFENBLFKMLU-LJQANCHMSA-N	424.566	5.273	30	20	HKED	
C[C@@H]1C[C@]1(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1	1790428014	SXEPXRJUIVTEFS-CMJOXMDJSA-N	421.928	5.005	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)[nH]n1	1814442937	BDRHRPKCTMMFMS-UYAOXDASSA-N	412.578	5.163	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]2C)CC1	1828482810	NKHFYGFENFMJKG-FCEUIQTBSA-N	402.623	5.035	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C)cc2)cc1	10173254	KWMXUDNYYGTPMR-UHFFFAOYSA-O	403.571	5.513	30	20	HKED	
O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc(F)cc1F	11126800	QIRORHHJCDEQDC-UHFFFAOYSA-O	419.476	5.456	30	20	HKED	
N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccccc3Cl)s2)cc1	14621490	JUMDFSFGKBUKFT-MDZDMXLPSA-N	412.927	5.007	30	20	HKED	
N#Cc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)cc1	18064796	CZSTYCGVHXJACC-MFOYZWKCSA-N	424.312	6.326	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(CSc2nc(C)cc(C)c2C#N)cs1	54912218	NEWDWHKQCKAJHA-UHFFFAOYSA-N	412.515	5.143	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCC)cc1C(F)(F)F	63394596	HTBLHZPIHXYCCC-UHFFFAOYSA-N	403.404	5.196	30	20	HKED	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	72041242	CPCZUDAKEJUDEW-UHFFFAOYSA-N	423.419	5.616	30	20	HKED	
CCN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](C)c1cc2ccccc2o1	195634721	RTXCEOFVWANZGV-INIZCTEOSA-N	414.427	5.596	30	20	HKED	
C[C@H](Nc1nc2ncccc2nc1N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1	301612483	FZAJOCWPYGWTKM-SJORKVTESA-N	419.492	5.114	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1Cl	428109312	AWODRTCIFOYHSS-LJQANCHMSA-N	410.901	5.035	30	20	HKED	
C[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1	428610643	DRADWXJPJGQDOW-LBPRGKRZSA-N	416.428	5.268	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)cc3OC(F)F)n2)cc1	429722467	IOAFAVSCQNYRII-OAHLLOKOSA-N	418.396	5.049	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1	431320165	YKEQIHCBAVFUKT-HMXCVIKNSA-N	415.459	5.686	30	20	HKED	
N#CCCC[C@@H](NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccccc1	431462127	YIEBCAQZXHZVHH-UXHICEINSA-N	403.448	5.284	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@H](CCCC#N)c1ccccc1	431924741	LBUQERRKZNAEII-OXJNMPFZSA-N	403.448	5.371	30	20	HKED	
Cc1c(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)sc2ccc(C#N)cc12	432420301	AUPAHQGWBFYKEV-CYBMUJFWSA-N	410.568	5.022	30	20	HKED	
CCC(CC)n1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1	432682245	QYVMEPKOQYPOSX-UHFFFAOYSA-N	406.461	5.086	30	20	HKED	
COc1ccc(-n2c(CN[C@H](CCCC#N)c3ccccc3)nc3ccccc32)cc1	433020784	UGCNZMYGPLIDNV-HSZRJFAPSA-N	410.521	5.559	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H]1c1nc2ccccc2s1	433948903	OCTVBTHAQSXWNQ-APWZRJJASA-N	411.596	5.098	30	20	HKED	
N#CCCn1cc(CN2CCC[C@@H]2c2cccc3ccccc23)c(-c2ccncc2)n1	435129271	MKYVNDUPWLEPMY-RUZDIDTESA-N	407.521	5.349	30	20	HKED	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1oc(C(C)C)nc1C	436477474	XBYNVBIDNAJKIW-UHFFFAOYSA-N	418.950	5.409	30	20	HKED	
COc1ccc(NC(=O)c2cc(C#N)cs2)cc1OCc1ccc2ccccc2n1	437567947	NECWFKFLYGGFOY-UHFFFAOYSA-N	415.474	5.008	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(F)ccc1Cl	437932016	ZJRLYVILBBPMJR-ZDUSSCGKSA-N	408.951	5.745	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)cc1Cl	439232918	XSEDZUMYUYSWHC-JTHBVZDNSA-N	423.944	5.418	30	20	HKED	
CC[C@@H](c1ccccc1)c1nnc(SCc2ccc(C#N)cc2OC(F)F)o1	439546152	VFFQJNXBKRMXQS-INIZCTEOSA-N	401.438	5.377	30	20	HKED	
C[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(C#N)cc1	439591050	FKTBSAKOTNEHRG-ZDUSSCGKSA-N	401.363	6.077	30	20	HKED	
C=CCC[C@H](NC(=O)N(C)[C@H]1CCN(CC)C[C@H]1C)c1ccc(C(F)(F)F)cc1	442296399	MWAFYEOLYBMIDO-UXPWSPDFSA-N	411.512	5.084	30	20	HKED	
N#Cc1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)cc1C(F)(F)F	443877036	JDEDYXFTZKPPCL-UHFFFAOYSA-N	409.205	5.010	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2cccc(COCc3ccco3)c2)c2ccccc21	444040684	ZAPIUOPPDAGGKX-UHFFFAOYSA-N	413.477	5.507	30	20	HKED	
N#CCCCn1cc(C(=O)NC(c2cccs2)c2cccs2)c2ccccc21	444228464	UBSHEFORYHCCAK-UHFFFAOYSA-N	405.548	5.587	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(-c2nccs2)c1	447796104	SORMIZWGIPCZCY-HNNXBMFYSA-N	409.536	5.222	30	20	HKED	
CCCCCN(Cc1ccc(Cl)cc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1	462093655	UFNZKGXQKZVZRE-UHFFFAOYSA-N	422.920	5.017	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1SCCc2sccc21	463754536	HOVGCZYRBKYPJU-QFIPXVFZSA-N	422.550	5.631	30	20	HKED	
C=CCC[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)cc1	464486467	MCURUIGTVMAUSL-GOSISDBHSA-N	403.473	6.021	30	20	HKED	
CCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(Cl)cc1	471826044	MIYGTKWUPHJAER-HNNXBMFYSA-N	424.957	5.592	30	20	HKED	
Cc1ccc(C)c(Sc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)c1	473683682	RPJYXLTWYPYFFZ-UHFFFAOYSA-N	416.550	5.797	30	20	HKED	
N#Cc1ccc(C(F)(F)F)nc1NCc1nc(-c2cc3ccccc3o2)cs1	475737072	ZAMKFHOTHGOYTN-UHFFFAOYSA-N	400.385	5.454	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2	476092221	WEGKKWXXPWMPRE-JWNTYJGQSA-N	419.565	6.003	30	20	HKED	
N#CCSc1cccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1	476817706	IBKMGDODDSEETD-OAQYLSRUSA-N	420.513	5.199	30	20	HKED	
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC(c1cccs1)c1cccs1	478386794	AYTDWLGMAATMQB-UHFFFAOYSA-N	420.481	5.269	30	20	HKED	
CCC(CC)N(CCOC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1	480408380	VILHHDBNQJUSSQ-UHFFFAOYSA-N	411.502	5.028	30	20	HKED	
C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1cccs1	481400969	NGEYVIMUSYREJF-UHFFFAOYSA-N	403.483	5.230	30	20	HKED	
N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nccc2ccccc12	483204884	YADZMZIAPSVRRJ-JOCHJYFZSA-N	419.459	5.867	30	20	HKED	
N#C[C@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1cnc2ccccc2n1	483228084	KVLNODIHVWNSKA-FQEVSTJZSA-N	413.864	5.352	30	20	HKED	
Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1ccc(C#N)s1	484469571	RIUSXJVZAJMOAU-PTNGSMBKSA-N	401.516	5.311	30	20	HKED	
COc1cc(SC)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	487438795	LXTSLTXHTKGBPF-UHFFFAOYSA-N	404.491	5.120	30	20	HKED	
Cc1ccc(C(C)(C)CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1	487769478	GVKSPXIETNHGSH-UHFFFAOYSA-N	414.553	5.097	30	20	HKED	
Cc1sc2nc([C@@H](C)Sc3nc(C(F)(F)F)ccc3C#N)nc(O)c2c1C	488788689	YFJAOZZWOMCOPA-SECBINFHSA-N	410.446	5.153	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3nc(-c4ccc(F)c(C)c4)no3)o2)cc1	489797701	OAKHGDRJRGXIGQ-UHFFFAOYSA-N	424.457	5.091	30	20	HKED	
COc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)ccc1OCC(C)C	499858825	FKNFLWKAHMJNOP-INIZCTEOSA-N	407.297	5.031	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32	501565238	GGNGVYKIWTYHSO-VGSWGCGISA-N	408.542	5.160	30	20	HKED	
CC(C)c1nc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2s1	503269325	OSNIATWWRHGYRN-UHFFFAOYSA-N	419.554	5.036	30	20	HKED	
Cc1cc(C)cc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1	504032830	DNISLVOGCXUCIS-FQEVSTJZSA-N	413.521	5.831	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1	505045268	HLQLKMQODKJGPX-LJQANCHMSA-N	424.545	5.063	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1OCC	505662795	PSTDIEIYQMPNIY-INIZCTEOSA-N	411.502	5.026	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2cccs2)C2CC2)cc1	508269085	STAGOBDFCVHJKM-JOCHJYFZSA-N	419.506	5.693	30	20	HKED	
C=CCN(C(=O)c1ccc(CN(CC)C2CC2)cc1)c1nc(-c2ccccc2)cs1	508896573	IFKVNZDIUVNBIW-UHFFFAOYSA-N	417.578	5.627	30	20	HKED	
O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	511701732	LLLWSDCCMIRTHX-NQBHXWOUSA-N	419.312	5.376	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)o1	512144420	AVCRCYXNUHINMX-UHFFFAOYSA-N	407.476	5.168	30	20	HKED	
N#CCSc1cccc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1	512398175	LYFNMAVXSFTWMH-LJQANCHMSA-N	408.420	5.032	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	513653054	QEWCMCZFKPCTOH-UHFFFAOYSA-N	415.377	5.049	30	20	HKED	
COc1ccc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)c(C)c1OC	517198910	YLBMJUKJLQVYGT-LJQANCHMSA-N	416.521	5.314	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1	517301709	MGQFTXVQBCGEQC-JOCHJYFZSA-N	422.500	6.238	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](N4CCCCC4)C3)cc2Cl)cc1	518630461	MEEVBDUFQFRAJL-IBGZPJMESA-N	424.932	5.096	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2c(F)cccc2F)cs1	518872705	YWHWZBAOTQASRT-INIZCTEOSA-N	405.429	5.369	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2CN2CCCC2)cc1Cl	519186644	KTSZHCXVKVFDCA-RBBKRZOGSA-N	422.960	5.088	30	20	HKED	
COCCN(Cc1cccs1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	520195908	PZZVDGGZSNHQAV-UHFFFAOYSA-N	407.495	5.093	30	20	HKED	
N#C[C@H](C(=O)c1cc2cc(F)ccc2s1)c1nc(-c2c(F)cccc2F)cs1	520431450	NCMVQJUXVUJGIY-GFCCVEGCSA-N	414.433	5.932	30	20	HKED	
CC(C)(C)c1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1	521497557	JZOOYCFQVRQWBX-IBGZPJMESA-N	404.901	5.335	30	20	HKED	
CC(C)Sc1ccc([C@H](C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1	521788814	SVUQYXCGYFLCPD-IBGZPJMESA-N	423.582	5.091	30	20	HKED	
COCCN(c1nc(C(F)(F)F)ccc1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1	523755321	MJKVOIDEUJOJEL-LBPRGKRZSA-N	417.353	5.205	30	20	HKED	
CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccccc1	524387420	CPXATVSPTMNADQ-UHFFFAOYSA-N	422.488	5.138	30	20	HKED	
N#Cc1ccc(CSCC(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc1	531330471	NDAPHOQXFPXNHM-UHFFFAOYSA-N	423.925	5.058	30	20	HKED	
N#CCc1ccnc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)c1	531925151	FDXVNFHAVZKYBF-UHFFFAOYSA-N	417.465	5.333	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccnc3)Cc3ccco3)cc2)c1	539028251	DQDMUCVFOXTYFJ-UHFFFAOYSA-N	424.460	5.573	30	20	HKED	
N#Cc1ccc(-c2nnc(CN[C@H](Cc3ccccc3Cl)c3ccccc3)o2)cc1	539309849	BFUOAWZRZPKVFF-JOCHJYFZSA-N	414.896	5.335	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ccc3[nH]ccc3c2)cc1	539410235	VYBNYCQPDHVUPI-UHFFFAOYSA-N	411.480	5.340	30	20	HKED	
C=CCC[C@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1	540150424	HPLHFVVKWWYTPL-QRWLVFNGSA-N	402.460	5.948	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(OCC2CC2)c(Cl)c1	542212397	BYQSOEKSKCNTPB-CYBMUJFWSA-N	401.919	5.028	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	543495256	WEEKENVDPQRXRJ-HYBUGGRVSA-N	416.452	5.140	30	20	HKED	
N#CCCCOc1cccc(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c1	547524000	MMDGOKVXLJMVJY-QGZVFWFLSA-N	413.346	5.072	30	20	HKED	
Cc1cccn2cc(COc3ccc(CN[C@H](CCCC#N)c4ccccc4)cc3)nc12	552312247	ZQNNFBNFHBYHCB-AREMUKBSSA-N	424.548	5.747	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)c(F)c1	557657184	MAAVPDDWTCFQDN-UHFFFAOYSA-N	416.452	5.173	30	20	HKED	
Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CC1	558312376	HEUHBIRBSXCKMI-FQEVSTJZSA-N	421.888	5.010	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(COC)CC1	558990234	PBDTUQLHOROUGR-LJQANCHMSA-N	420.557	5.010	30	20	HKED	
N#CCCN(Cc1ccc(-c2ccccc2Br)cc1)Cc1ccccn1	559068845	PMRUNJJRNMVOFJ-UHFFFAOYSA-N	406.327	5.427	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCSCc1ccccn1	560131266	WYSPGYZPNHMGDJ-UHFFFAOYSA-N	417.534	5.103	30	20	HKED	
C[C@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	562084951	QCKQDOAGLUCMQT-KBXCAEBGSA-N	403.404	5.114	30	20	HKED	
Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N)N(C)C	562878966	PDBIBPIBAORSLR-ZJBJCVSYSA-N	410.587	5.060	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)c2c(Br)cc(Cl)cc2C#N)cs1	587987137	PXWAMWZGJXEVSN-JTQLQIEISA-N	414.756	5.165	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2	600844198	JRHMNUBRSYYDOI-UHFFFAOYSA-N	415.543	5.774	30	20	HKED	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)n1	603600855	GGMMIFHBHCDITN-UHFFFAOYSA-N	423.476	5.109	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)OCc1ccccc1	603618958	BXNTWOJVZPOXNP-LJQANCHMSA-N	402.469	5.144	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1	606773279	FEFTYYHQHAOTFF-UWJYYQICSA-N	419.443	5.168	30	20	HKED	
CCSc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1	609031669	JPTQUJZLUGCIDB-UHFFFAOYSA-N	403.507	5.091	30	20	HKED	
Cc1cccc(COc2ccc([C@H](C)NC(=O)N(C)Cc3ccc(C#N)cc3)cc2)c1	609043237	GIZWQYOEJNEIQY-FQEVSTJZSA-N	413.521	5.348	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc4ccccc4n3CC#N)c2)cc1	609165151	DLAVQZFYLUNKKO-UHFFFAOYSA-N	420.472	5.062	30	20	HKED	
COc1ccc(F)cc1[C@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609209035	PXVOBVGKLGSWPJ-HNNXBMFYSA-N	405.429	5.381	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)NCCCCOCc3ccccc3)c2)cc1	609209614	DXHLLNMQOCGBJV-UHFFFAOYSA-N	415.493	5.469	30	20	HKED	
N#Cc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)nc1	609504495	JUXOAFYATDEVSN-LGMDPLHJSA-N	422.513	5.692	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@H](SC)C2)cc1	609773667	QJLXCGJNLROPSS-HKUYNNGSSA-N	411.527	5.155	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(CN4CCCCC4=O)c3)c2)cc1	609987779	BLKVYTYXWMFCCH-UHFFFAOYSA-N	424.504	5.067	30	20	HKED	
CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1S[C@@H](C)CC#N	610674399	LIBFBKTVMBYDEV-HKUYNNGSSA-N	408.571	5.343	30	20	HKED	
N#CC1(c2ccccc2)CCC(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1	611255104	SLRBBAGBSQTYDR-HNXFYBAISA-N	418.425	5.890	30	20	HKED	
Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3Br)o2)cc1C	611491560	QRYPNOZZYYDKDF-UHFFFAOYSA-N	400.301	5.280	30	20	HKED	
C[C@@]1(C#N)CCCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1	612036818	RLHOEUHNNPKYIK-SFHVURJKSA-N	409.342	5.198	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1C(C)(C)C	613319793	OXUXQANRFMEGTB-OAHLLOKOSA-N	412.946	5.467	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c(Cl)c1	619557224	ZVPUQDSMDANBBZ-MQMHXKEQSA-N	413.226	5.560	30	20	HKED	
O=C(NCc1ccncc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	622565483	ISALVGWUAQSNGM-UHFFFAOYSA-N	416.243	5.068	30	20	HKED	
C=CCOc1c(Br)cc(CNCc2ccc(OC(C)C)cc2)cc1OC	642340836	IKWSQJBBSRMBIU-UHFFFAOYSA-N	420.347	5.100	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccoc1C	645079472	OXBAMBISLSMWQK-QFIPXVFZSA-N	415.518	5.749	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1	678572440	XIAGSFXRZIOZBN-LJQANCHMSA-N	416.477	5.991	30	20	HKED	
Cc1nc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc2o1	684631956	ZYSWGKTZVDUBHU-GFCCVEGCSA-N	401.369	5.255	30	20	HKED	
C[C@@H](c1ccccc1Cl)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1	725795103	LQOZFCDURTWHBG-YOEHRIQHSA-N	409.942	5.352	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cccc(OCCC(=O)O)c1	727267517	JRFQBXSZHOTGJQ-YHYXMXQVSA-N	411.454	5.007	30	20	HKED	
Cc1ccc(F)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1	728175344	QASZUJRGHRFDJQ-UHFFFAOYSA-N	409.461	5.533	30	20	HKED	
C#Cc1cccc(N(C)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1	728481448	GONMFRQBDWHTIH-UHFFFAOYSA-N	400.425	5.016	30	20	HKED	
CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1	729069310	IBOKMYAICMJZHH-SIKLNZKXSA-N	412.489	5.710	30	20	HKED	
CC(C)(C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(Br)c1	730420200	BEGKEDGBOJCVFT-AWEZNQCLSA-N	417.303	5.352	30	20	HKED	
C#CCOc1cccc([C@@H](C)OC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1	730700614	VUDBKRNIFWQMIE-MRXNPFEDSA-N	409.869	5.244	30	20	HKED	
O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccccc1OC(F)F	730950535	FJEQGTQKJOOTGA-JXMROGBWSA-N	414.360	5.054	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)c1	732397653	VWLXJVGQOUVOHB-UHFFFAOYSA-N	410.857	5.159	30	20	HKED	
O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1OC(F)F	733084059	WHWWGQIMMRJYMS-CMDGGOBGSA-N	402.378	5.216	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)c1ccncc1	734660337	PIKFJDFPTBGDHT-WOJBJXKFSA-N	414.347	5.302	30	20	HKED	
N#C[C@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1nc(-c2ccc(Cl)cc2)cs1	734706692	RPODNZHUCPRTAO-QGZVFWFLSA-N	409.873	5.503	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(OCC(F)(F)F)c(C)c1	738422354	BITPJQXWSYJPJE-HNNXBMFYSA-N	412.477	5.013	30	20	HKED	
CCn1nc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1Cl	741902606	NUWREPHPMVKMCQ-QGZVFWFLSA-N	413.308	5.426	30	20	HKED	
CCOc1cccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1	743034838	CSJDDDCWWSDOHZ-UHFFFAOYSA-N	407.470	5.697	30	20	HKED	
O=C1/C(=C\c2ccc(Cl)nc2)CC2(CCOCC2)C/C1=C\c1ccc(Cl)nc1	751516600	DTMPGMPWZPPHLV-BUOZRGFLSA-N	415.320	5.410	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)cc1C#N	752305808	QAIUAXDSJDMDQS-OAQYLSRUSA-N	406.486	5.113	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1	752654228	RRVWPFNSJAUSCG-UHFFFAOYSA-N	421.516	5.051	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccncc2)s1)c1ccc(SCC(F)(F)F)cc1	753144643	PFNJGIMREIPSHM-AATRIKPKSA-N	406.454	5.756	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/SCc1ccco1	754232894	CHLGABQWMRFJGQ-PKNBQFBNSA-N	404.491	5.424	30	20	HKED	
C[C@H](Cc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	754527762	FXQKWAYCFNLFGJ-RDTXWAMCSA-N	405.910	5.390	30	20	HKED	
N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(F)cc(C(F)(F)F)c1	756232462	UADRBQKCPAGRFA-CQSZACIVSA-N	419.161	5.112	30	20	HKED	
C=CCC(CC=C)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	758381104	PNMUTSUEMTZYGT-UHFFFAOYSA-N	414.845	5.174	30	20	HKED	
COc1cc(F)c(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)cc1OC	760270339	OJHZEPOBFYPELS-BQYQJAHWSA-N	403.862	5.516	30	20	HKED	
C[C@@H](OC1CCCCCC1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1	761109891	MKOVEGOSYGJRLJ-HIFRSBDPSA-N	404.482	5.392	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1	762776822	FGBDILOOTDABNY-KSFYIVLOSA-N	416.352	5.645	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C1CC1	762935413	FZNRZBAHQLJCSO-VGSWGCGISA-N	413.525	6.031	30	20	HKED	
N#CCCN(CC1CC1)Cn1nc(Cc2ccccc2)n(C2CCCCC2)c1=S	764970013	LBFYPXNYPNINFM-UHFFFAOYSA-N	409.603	5.093	30	20	HKED	
CSc1nc2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2s1	767807566	LSFLLKDQXVEJEH-UHFFFAOYSA-N	406.536	5.211	30	20	HKED	
Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)n1	769543467	KBBYWGSQJOJFCK-QGZVFWFLSA-N	414.465	5.222	30	20	HKED	
C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nc(-c2cccc(F)c2)no1	769546229	JLTOXKSYIIVTTB-HNNXBMFYSA-N	418.428	5.052	30	20	HKED	
O=C1/C(=C\c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCc2nc(O)ccc21	769614005	FZCRYRUAGZPMED-KAMYIIQDSA-N	422.824	5.354	30	20	HKED	
CC(=O)N(c1nc(C=NNc2c(F)cccc2Cl)cs1)c1ccc(F)cc1F	769827079	NGPXCNSDFSUQJI-UHFFFAOYSA-N	424.835	5.344	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)ccc1OC	774450898	VRCBTOHDVKQMQU-SWLSCSKDSA-N	408.329	5.116	30	20	HKED	
COc1cc(C=NOCc2nc(-c3ccccc3Cl)cs2)cc(Cl)c1OC	774722901	CBAUGGCOXHIQQG-UHFFFAOYSA-N	423.321	5.685	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)Nc1ccccc1Cl	778181556	NWKYKBIUKCLNEP-OAHLLOKOSA-N	420.852	5.188	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCCN(C2CCC2)C1	781401945	OEYDKOBPVBSUIA-JTJYXVOQSA-N	416.569	5.117	30	20	HKED	
Cc1cc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)s1	783361545	QLTPJPRZVLYANX-GOSISDBHSA-N	419.531	5.200	30	20	HKED	
C[C@H](OC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1cccc(C#N)c1	784632100	QHBGJCSXAKCVGL-KRWDZBQOSA-N	400.434	5.225	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1	789719052	NDFZGPFFUOSEFA-CCEZHUSRSA-N	416.565	5.429	30	20	HKED	
N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Br)c1nc2ccccc2s1	790766880	ICJFXQWMPFSKRO-LBPRGKRZSA-N	405.704	5.131	30	20	HKED	
C=C(C)CN(Cc1ccccc1)Cc1nnc(-c2ccc(Br)s2)o1	791567342	XDRXBBBVVCLJTQ-UHFFFAOYSA-N	404.333	5.139	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN2CCC[C@H]2c2ccc(OCC)cc2)c1=S	798178930	RITBBCQWFNXTFH-IBGZPJMESA-N	410.543	5.053	30	20	HKED	
N#C[C@@H](C(=O)CC1CC(c2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1Cl	798815620	BBHXKCYUBNQSPT-PGEKIEPBSA-N	401.293	5.225	30	20	HKED	
COc1ccccc1-c1csc([C@H]2CCCN(c3nc(Cl)c(C#N)s3)C2)n1	804673058	XZRJXMLPELVPGZ-LBPRGKRZSA-N	416.959	5.184	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(OC(F)(F)F)cc2)cs1	812461505	XZXYXSKRUPHQTK-UHFFFAOYSA-N	420.416	5.172	30	20	HKED	
CC(=NNc1ccc(Br)nc1)c1sc(-c2ccccc2F)nc1C	814847177	COZRFFZAWDIZNZ-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)cc1	863949984	GSIFIUBJLQCEOQ-HKWRFOASSA-N	421.497	5.374	30	20	HKED	
N#Cc1ccsc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1	908112167	WZPFIXABVBJEIH-UHFFFAOYSA-N	412.858	5.046	30	20	HKED	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(Cl)c(C(=O)O)c1	914554329	ISCMPDRRUXSLEZ-UHFFFAOYSA-N	417.296	5.447	30	20	HKED	
COc1ccc2nc(C)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2c1	915086423	JKDANGQJLMUMTO-XMMPIXPASA-N	407.473	5.460	30	20	HKED	
N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc2ccccc2[nH]1	916844560	MCWYEFLKEVLUPW-HXUWFJFHSA-N	422.463	5.659	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC(c1ccccc1)c1ccccc1	916898913	GIISTMBWYPALQW-VWLOTQADSA-N	424.544	5.681	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1	916951278	XZNFHWXRDXQOOE-VQIMIIECSA-N	408.546	5.236	30	20	HKED	
CC(C)c1cccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917043721	MXEJPHPCRHZNJK-MRXNPFEDSA-N	418.440	5.694	30	20	HKED	
FC(F)(F)c1nc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc2n1	918734818	AGOJYGWSLJBLOO-DTORHVGOSA-N	417.275	5.216	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2cc(Br)ccc2o1	920106136	SJXNVJYMTCXHJU-OAHLLOKOSA-N	421.250	5.190	30	20	HKED	
CC(=NNC1=NC(=O)/C(=C\c2csc(C3CC3)n2)S1)c1cccc2ccccc12	920398599	MDXWAHCQQYIMCR-OJNCPARPSA-N	418.547	5.158	30	20	HKED	
N#Cc1ccccc1N1C(=O)/C(=C/c2csc(-c3ccsc3)n2)SC1=S	920473363	STYJKWZBROVPEG-CHHVJCJISA-N	411.558	5.149	30	20	HKED	
C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccc4F)cc3)CCC2)C1	1785962712	BCHNOESVHWERBH-UHFFFAOYSA-N	412.892	5.193	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3OC)CCC2)cc1	1789456210	LOIRPVVZTMIQDT-OAQYLSRUSA-N	418.537	5.211	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(C)(C)CC1)C2	1798591818	KQEASHLYGPWQKA-WKCHPHFGSA-N	402.623	5.224	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1	1823915170	BGGGFJXQYZYTKU-VGOFRKELSA-N	416.993	5.094	30	20	HKED	
COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2S[C@@H](C)C#N)c1	5333910	SQUQMYYYHGZCAN-GKXUUXLPSA-N	405.523	5.208	30	20	HKED	
C=CCn1c(SCC(C)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12	5567580	CRZCCMGADVYBBO-UHFFFAOYSA-N	414.534	5.336	30	20	HKED	
Cc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@@H](C#N)CCC#N)c(C)c1	15237973	IEGPAYMVWZMOEH-HXUWFJFHSA-N	401.539	5.011	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2cccs2)n(C2CC2)c1=S	23840609	KVXZRPMSQVAPBV-UHFFFAOYSA-N	423.032	5.838	30	20	HKED	
C=CCn1c(SCc2cc(F)cc3cccnc23)nnc1-c1ccc(Cl)cc1	31616274	ZDQJHTMXXMZULR-UHFFFAOYSA-N	410.905	5.764	30	20	HKED	
C[C@@H](c1cccs1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	48161673	DVFZIXMVAAZTOZ-KRWDZBQOSA-N	405.523	5.618	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1	56629491	XUHLTBYDNSNYCL-UHFFFAOYSA-N	418.541	5.284	30	20	HKED	
COc1ccc2oc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c(C)c2c1	60477489	CVLYFRQVPQSSLD-GOSISDBHSA-N	402.475	5.672	30	20	HKED	
COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1C	60488337	HDFUFXCKTUPWSP-MRXNPFEDSA-N	412.898	5.279	30	20	HKED	
CC(C)(C)OC(=O)N1CCc2cccc(CNc3cccc(OCCCC#N)c3)c21	236735247	OWXSPJIYFUWJFS-UHFFFAOYSA-N	407.514	5.279	30	20	HKED	
Cc1cc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)ccc1Oc1cccnc1	302950498	DPYFNWGYQNTSAM-HSZRJFAPSA-N	401.466	5.096	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	303248411	ARAGNOKFMWPYSC-HNNXBMFYSA-N	417.336	5.114	30	20	HKED	
O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303687467	OGPZNQFFSLRRFF-VXGBXAGGSA-N	419.287	5.152	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCC(c2ccc(Br)cc2)CC1)c1ccccc1	410382521	OLQAFNXDYWVRSF-FQEVSTJZSA-N	411.343	5.243	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2ccccc2n1CC(F)(F)F	426671626	MZKNMHWPJPBDGD-ICSRJNTNSA-N	411.427	5.116	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)[C@H](C)Cc2ccsc2)cc1	429384992	NBBMFPKTSIUSCT-GOSISDBHSA-N	411.571	5.047	30	20	HKED	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H]2CC[C@H](C#N)C2)cc1	430099080	FACLUCYSKUVRHL-GHTZIAJQSA-N	404.539	5.041	30	20	HKED	
CN(C)c1cc(C#N)cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	432712463	DGIKBGWGZUDCJI-QFIPXVFZSA-N	414.896	5.185	30	20	HKED	
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437488390	DCGHPQZKBUYSBH-UHFFFAOYSA-N	420.488	5.140	30	20	HKED	
CC1CCC(N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1	438076679	SMAGAKWNLSYFQG-PCODVIEZSA-N	415.603	5.672	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1	438403560	YSFUOSIASOBKGO-UHFFFAOYSA-N	407.445	5.242	30	20	HKED	
Cc1cccnc1[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(C)C	438668025	DMBGCNSWDXGNIM-JOCHJYFZSA-N	418.472	5.712	30	20	HKED	
N#CCC[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1)c1ccccc1	438867101	REQJJWKHMVSNSE-TZIWHRDSSA-N	409.942	5.835	30	20	HKED	
N#Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1Cl	441225888	FICVRJVHVXWWAE-KRWDZBQOSA-N	400.269	5.110	30	20	HKED	
C[C@@H](NCc1noc(-c2ccc(F)cc2F)n1)c1ccc(-c2cccc(C#N)c2)cc1	444610163	CMBRYJYAKSHZHD-OAHLLOKOSA-N	416.431	5.404	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1cc(Cl)sc1Cl	445968795	MOXQSYZDPRKLHP-UHFFFAOYSA-N	407.322	5.104	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(C(F)F)c1Cl	446524734	VQRBODMOPQPHIG-UHFFFAOYSA-N	419.280	5.146	30	20	HKED	
CCOc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1	446629663	BGRCFIAGMAQXPU-PGRDOPGGSA-N	423.582	5.255	30	20	HKED	
CC(C)c1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c2ccccc2n1	447326746	SHLAXPFROFWQLV-KRWDZBQOSA-N	404.539	5.181	30	20	HKED	
Cc1cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)CC(C)C	461092406	FSQHOWNEIIFWBU-JOCHJYFZSA-N	405.542	5.272	30	20	HKED	
CSc1ccc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Cl	463523821	APQKCZMUVDNIQY-LBPRGKRZSA-N	412.989	5.114	30	20	HKED	
Cc1ccc([C@H]2CCCCN2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)o1	465894142	UEMSUBGFSJMLLN-XVAXZDLZSA-N	407.514	5.087	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	466193925	KNVONPGUWFBKEC-HXUWFJFHSA-N	418.859	5.328	30	20	HKED	
N#Cc1cccc([C@@H]2CN(C(=O)Nc3cc(-c4ccccc4)ccc3Cl)CCO2)c1	471396990	GJWQJQCUUUHWMP-QHCPKHFHSA-N	417.896	5.484	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)N(c3ccccc3F)C3CCCC3)cc2)nc1	471409168	LDBLVCUYECTXQE-UHFFFAOYSA-N	401.441	5.474	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCSC[C@@H]3c3cccc(C(F)(F)F)c3)cc2)CC1	472280657	AHTJYENDCGLGLP-LJQANCHMSA-N	416.468	5.191	30	20	HKED	
Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c2C(F)(F)F)c1	474443396	DCXMMDYBTKSLNR-CQSZACIVSA-N	418.444	5.270	30	20	HKED	
Cc1nc(CC2CC2)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	475358101	IXAPDKZLVYGWDJ-UHFFFAOYSA-N	417.534	5.301	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cc2cccc(F)c2o1	475700575	JUNDTOLRNMTYBU-LSDHHAIUSA-N	411.502	5.113	30	20	HKED	
N#CC[C@@H](CC(=O)N1CCc2c(Br)ccc(Cl)c2C1)c1ccccc1	476694865	SWVWLNRHPSTTLG-HNNXBMFYSA-N	417.734	5.075	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Br)c(Cl)c1	476975693	RECPRJNMKSYJHZ-MAUKXSAKSA-N	403.707	5.014	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1	478666167	WGMYIQVQCDGHRD-UHFFFAOYSA-N	421.334	5.261	30	20	HKED	
C[C@H](SCc1ccc(C#N)c(F)c1)c1nc(O)c2c(-c3ccco3)csc2n1	479520997	ZPZIIXVYHLNHES-NSHDSACASA-N	411.483	5.662	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1ccc(OC(F)F)cc1	481369378	IUBFSPFMPPGGIL-OAHLLOKOSA-N	417.481	5.498	30	20	HKED	
Cc1cc([C@H](C#N)C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc(C)n1	482562794	UWNNZCYLTLCEAW-INIZCTEOSA-N	412.280	5.029	30	20	HKED	
COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	483709462	JSMYOFLRXNAHIR-GFCCVEGCSA-N	415.902	5.382	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c1C#N	484466737	NCBCFWRBZLVWKV-HNNXBMFYSA-N	409.530	5.102	30	20	HKED	
Cc1ccc(F)c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1Br	486429116	DZZQKMVXKBAQJV-LBPRGKRZSA-N	416.077	5.198	30	20	HKED	
Cc1ccc(OCc2nc(CC(=O)N[C@H](CCCC#N)c3ccccc3)cs2)cc1	487296004	GOKBMPUCAXULKI-JOCHJYFZSA-N	419.550	5.124	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c1	487370081	IXJAMTKHDIESHH-AREMUKBSSA-N	411.549	5.484	30	20	HKED	
C=CCC[C@@H](C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1	488317431	VKZYFDTXVMAAPX-OAQYLSRUSA-N	410.473	5.176	30	20	HKED	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F	500246308	JYBLGMHSVJNIKH-UHFFFAOYSA-N	410.289	5.131	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cc(Br)ccc3Cl)n2)c1	501130390	NKUPSVRBVKMKOF-UHFFFAOYSA-N	418.703	5.350	30	20	HKED	
C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OCC)cc1	502671737	SPMZJGFWXIALGJ-UHFFFAOYSA-N	407.283	5.207	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)cc2)c1	503015155	HGSNDZJGEUTPJX-HSZRJFAPSA-N	412.489	5.284	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(Br)cs1	505122392	GKAJPZDGROVQJK-UHFFFAOYSA-N	405.770	5.123	30	20	HKED	
N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	505924037	ZXOCSTAYEQQSFB-OAQYLSRUSA-N	406.272	5.527	30	20	HKED	
CC1(C#N)CCN(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)CC1	506900500	VRJWJRUOFWJRLV-UHFFFAOYSA-N	422.287	6.082	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)cc1	510536377	DMWNYKUFMISNGV-NRFANRHFSA-N	411.933	5.427	30	20	HKED	
Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	511270652	ZYAYNLKCXRQLIE-NRFANRHFSA-N	402.523	5.283	30	20	HKED	
N#CCCn1cc(/C=C\c2nc([C@H](F)c3ccc(Cl)cc3)no2)c2ccccc21	512018492	YDWOMHCTTZSPPE-ZRKSWWEUSA-N	406.848	5.821	30	20	HKED	
C[C@H](N[C@H]1c2cc(Br)ccc2SC[C@H]1C)c1ccc(C#N)cc1F	512626301	SZUXBHFBWGBWMQ-UYSIFFEZSA-N	405.336	5.594	30	20	HKED	
N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccncc2)cs1	512963273	BPNHKMSJASJVPR-OAHLLOKOSA-N	422.922	5.472	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1cccc(Br)c1	518150900	INOMLZNGMKGXMQ-CQSZACIVSA-N	417.372	5.617	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2	518660126	LBJZXICPBDPUPK-HNNXBMFYSA-N	420.513	5.004	30	20	HKED	
COc1ccccc1[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1	518681231	SDJYCXXPNDSUJA-NRFANRHFSA-N	423.419	5.079	30	20	HKED	
N#Cc1ccc(Oc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)nc1	518908009	MCZLIMOVWABQII-UHFFFAOYSA-N	414.490	5.200	30	20	HKED	
C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)NCc1ccccc1Cl	521538209	YHADPOGBKVHTIA-MRXNPFEDSA-N	405.885	5.121	30	20	HKED	
CCO[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1	521734679	QMPBPPVQSNCXAI-SFHVURJKSA-N	408.445	5.427	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1	521797770	UWPDWFPTOVTINC-AWEZNQCLSA-N	411.527	5.525	30	20	HKED	
C=CCn1c(SCc2csc(C3CCCC3)n2)nnc1-c1ccccc1OC	521799850	VYXLPODWUVLCFW-UHFFFAOYSA-N	412.584	5.546	30	20	HKED	
Cc1cc(C#N)ccc1Oc1nc(CN(C)C)nc2scc(-c3ccccc3)c12	524122653	IWFVMMLWSBJGNC-UHFFFAOYSA-N	400.507	5.392	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)sc2c1CCCC2	525429480	BNFAVFGMFPYEIY-UONOGXRCSA-N	406.429	5.139	30	20	HKED	
COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1-c1ccccn1	533670586	KFIAEOCBAAMJBS-UHFFFAOYSA-N	411.486	5.610	30	20	HKED	
Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccc(C#N)s1	538415133	DEWRSRKTPFLSAD-LLVKDONJSA-N	418.385	5.665	30	20	HKED	
Cc1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C2CC2)n1	538641779	QYCOQNQPFJFOPY-IBGZPJMESA-N	402.885	5.224	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)cc1	539888308	DSBHBPFRGXYQLM-UHFFFAOYSA-N	401.388	5.146	30	20	HKED	
C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](CCCC#N)c1ccccc1	550828035	VKMPEQWPZALWJG-APWZRJJASA-N	403.448	5.447	30	20	HKED	
C=CCC[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(F)(F)F)cc1	552924973	ROBPTAPVVWXNOC-HXUWFJFHSA-N	406.448	5.200	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C1CCC(F)(F)CC1	554185802	SKYFKWDLBDOUNZ-UHFFFAOYSA-N	413.468	5.487	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(OCc2ccccc2C)c1	554445234	FDDPQFLIDWPDSN-UHFFFAOYSA-N	420.509	5.270	30	20	HKED	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1csc(CCc2ccccc2)n1	554874780	VPRZTXCOKVXDHK-UHFFFAOYSA-N	419.937	5.125	30	20	HKED	
CC(C)(CNC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(F)(F)F	554919772	YGIUZQBFCNHDRG-JTQLQIEISA-N	410.280	5.197	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)ccc1SC(C)C	558339191	GKVFLDFTHVQOII-UHFFFAOYSA-N	408.951	5.536	30	20	HKED	
O=C(CC(F)(F)F)Nc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1	558749187	KPWDNJJOKQTDPS-UHFFFAOYSA-N	423.288	5.379	30	20	HKED	
Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1F	564587656	CKBRQRLYFIYGNS-UHFFFAOYSA-N	417.459	5.033	30	20	HKED	
Cc1cccc(-c2nnc(SCc3cc(C#N)ccc3F)n2Cc2ccco2)c1	586869868	QMYQKFJOHJXARQ-UHFFFAOYSA-N	404.470	5.198	30	20	HKED	
CCCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589365022	POXOAEAVNUKDBE-UHFFFAOYSA-N	404.445	5.329	30	20	HKED	
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C	592825144	QNTOUJQIOZUXSA-HOCLYGCPSA-N	403.979	5.012	30	20	HKED	
C[C@H]1CCc2c(sc(NC(=O)CSCc3coc(-c4ccccc4)n3)c2C#N)C1	603749862	DOQSOJYPCWFBGV-AWEZNQCLSA-N	423.563	5.271	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)o1	603870302	LOAKEQZPTBCHRB-HXUWFJFHSA-N	406.869	5.361	30	20	HKED	
COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(Br)c1	608917863	XLZJMFAHWAQRGG-UHFFFAOYSA-N	416.319	5.019	30	20	HKED	
COc1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C2CC2)cc1	609424494	RWNMZUYKRXSXOB-AWEZNQCLSA-N	415.440	5.001	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1	609434775	PRDPTBXNOLHSPN-IBGZPJMESA-N	422.598	5.209	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	609460432	OZRFSGWISWIPQD-QLJPJBMISA-N	417.214	5.161	30	20	HKED	
CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(OCCCC#N)c1	609754414	VKLAEJHVEQREBZ-KRWDZBQOSA-N	415.331	5.339	30	20	HKED	
C[C@@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1	609970821	LDWBEWWCOVFPCF-LSDHHAIUSA-N	406.473	6.232	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCc3cccc(C#N)c3)s2)cc1	610090077	KTQNJFBKRHMSAQ-QGZVFWFLSA-N	404.539	5.201	30	20	HKED	
CCC[C@H](C)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n[nH]1	610352249	UVPDGXSHVSSJGR-INIZCTEOSA-N	404.539	5.730	30	20	HKED	
N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccccc1Br	611402820	ZXOMYDPEMCFGNX-AWEZNQCLSA-N	417.612	5.116	30	20	HKED	
CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc2ccccc2n1CC#N	614115952	MWWRZOYWWPJLCQ-SFHVURJKSA-N	424.342	5.021	30	20	HKED	
C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccccc1Br	642718326	HWMWQYDEGGVCRK-IBGZPJMESA-N	424.346	5.020	30	20	HKED	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1	669964849	GAZLKWWWGCNZLD-QGZVFWFLSA-N	413.477	5.326	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)nc2ccccc21	677792313	CHOFCPOMELTELA-CYBMUJFWSA-N	408.433	5.124	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	682053028	NSRSQFJKKRPFBQ-JTQLQIEISA-N	410.280	5.339	30	20	HKED	
Fc1ccc(-n2nccc2CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1	684367529	QYFUVHAKEBMXKN-IMRBUKKESA-N	409.349	5.011	30	20	HKED	
N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1	726321982	QNFXTYMTGIQGMB-LBPRGKRZSA-N	413.663	5.066	30	20	HKED	
C[C@@](CC(=O)O)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCCCC1	726603948	CSFAKVQRUMQLME-DHLKQENFSA-N	404.510	5.342	30	20	HKED	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3cccc(OCCC(=O)O)c3)s2)cc1	727654615	OOIMSZMADAIQBN-DHZHZOJOSA-N	407.491	5.177	30	20	HKED	
C#Cc1cccc(N(C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)C(C)C)c1	728246644	CKYSWKNUQVMZLU-UHFFFAOYSA-N	406.917	5.081	30	20	HKED	
COc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1	730955266	WUUWKUFFTYWKQH-UHFFFAOYSA-N	411.474	5.529	30	20	HKED	
CCCc1ccc(N2C[C@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2=O)cc1	731332386	KFKKZSXHOSLKQI-PKOBYXMFSA-N	421.566	5.025	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1	732955504	MIJNNRKAKYYTBV-VWLOTQADSA-N	405.457	5.782	30	20	HKED	
COC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	733634592	SHILIEGSJBCNBI-UHFFFAOYSA-N	402.410	5.173	30	20	HKED	
Cc1nc(-c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)[nH]c1C	734122827	BMRXJQXPDSUBAN-UHFFFAOYSA-N	422.488	5.397	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC(F)F	734206069	VOPQHQIUPGXCAB-FQEVSTJZSA-N	407.420	5.896	30	20	HKED	
C=CC[C@H](NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)c1ccncc1	734555347	PROKHKXILVGWFB-DEOSSOPVSA-N	407.517	5.581	30	20	HKED	
COc1ccc2oc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c(C)c2c1	739594487	KVIZNDNXKVYBOP-UHFFFAOYSA-N	402.475	5.280	30	20	HKED	
CCO[C@H]1CC(=NNc2ncnc3scc(-c4ccc(OC)cc4)c23)C12CCC2	741164034	UVUMZSCAPPEXCU-SFHVURJKSA-N	408.527	5.114	30	20	HKED	
C#CCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CCCCC1	743690024	TZTAGIJDPJUFQE-UHFFFAOYSA-N	402.416	5.301	30	20	HKED	
CC[C@@H](C)n1c(SCC(=O)O[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1	748684339	KKGPTVJZVFOVQZ-SJORKVTESA-N	420.538	5.184	30	20	HKED	
C[C@H](ON=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F	749351928	GNTUEJRKDHXQBY-NSHDSACASA-N	404.310	5.102	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)c1c(Cl)cc(C#N)cc1Cl	754425452	SQEQHWBUBRFNCS-UHFFFAOYSA-N	402.306	5.227	30	20	HKED	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C(C)=C/c1ccccc1Cl	756510259	SZZAOXPFVHAECF-XETPBLJFSA-N	417.292	5.061	30	20	HKED	
N#C[C@@H](C(=O)CCc1cc(Br)ccc1F)c1nc2ccccc2s1	759187775	OLDMTFLRDJOXTE-ZDUSSCGKSA-N	403.276	5.007	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccccc3)CC(F)F)c2)s1	759584390	VUOBICKICBKYMJ-UHFFFAOYSA-N	411.477	5.264	30	20	HKED	
N#CCOc1cc(F)ccc1NC(=O)c1oc2ccccc2c1COc1ccccc1	760785897	HXHZZBJRJNYECO-UHFFFAOYSA-N	416.408	5.306	30	20	HKED	
COc1ccc2oc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)cc2c1	763346059	OAWBRAVPTUSVLN-UHFFFAOYSA-N	415.474	5.070	30	20	HKED	
N#CCc1ccnc(NC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)c1	764206236	OWRKRILKQSJWEN-UHFFFAOYSA-N	421.485	5.225	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CNc2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1	767742183	UQQQZTYQDDVBKF-LBPRGKRZSA-N	400.347	5.252	30	20	HKED	
C=CC[C@H](NC(=O)N(C)[C@@H](CC)Cc1ccccc1Br)c1ccncc1	776150762	UPIOMKSPWAHPKG-ICSRJNTNSA-N	416.363	5.124	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(F)c2F)cs1	776267724	FAKISVBGDBTCPN-YFHOEESVSA-N	418.852	5.655	30	20	HKED	
N#CCc1ccccc1CC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	776975200	NTVUBIQJNUQQRF-QGZVFWFLSA-N	401.306	5.161	30	20	HKED	
CCOc1cc(CNc2ccc(F)cc2OCC#N)ccc1OCc1ccccc1	779604490	ANAVCFVCZCKKPP-UHFFFAOYSA-N	406.457	5.318	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1	780157988	KKYSVNAQTJGHPL-QGZVFWFLSA-N	420.896	5.391	30	20	HKED	
CC(C)c1cccc(O[C@H](C(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2)c1	780165031	PDQSPWVCWMXCEZ-DFBJGRDBSA-N	414.505	5.860	30	20	HKED	
C=C[C@@](C)(CCOC)COC(=O)c1csc(-c2cc(Br)cs2)n1	784623731	CHFJHNKWOAXKNJ-INIZCTEOSA-N	416.362	5.020	30	20	HKED	
C=CCN(C(=O)c1cc(C(F)(F)F)cnc1Cl)c1nc(-c2ccccc2)cs1	785175242	XUXWJEIMOLHIPS-UHFFFAOYSA-N	423.847	5.710	30	20	HKED	
CC(=NNc1nnc(-c2ccccn2)s1)c1ccccc1OCc1ccccc1	788028580	ZWCWHYPIHQYYQS-UHFFFAOYSA-N	401.495	5.015	30	20	HKED	
CC(C)(C)OC(=O)CCc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1	794998927	MJZSIADFLPQRJX-UHFFFAOYSA-N	415.946	5.295	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)cc1Cl	796633753	OVJZTIKTIPSNMZ-OAHLLOKOSA-N	408.857	5.233	30	20	HKED	
CC(/C=C/C(=O)c1ccc(N2CCC(O)CC2)cc1)=C\c1ccccc1C(F)(F)F	799891751	CCVMWKLWXKSMQM-LOKZEDNVSA-N	415.455	5.509	30	20	HKED	
COc1ccc(Br)cc1-c1nc(COC(=O)CCCCCC#N)cs1	805697427	VIRVFBYQZXFSHS-UHFFFAOYSA-N	423.332	5.098	30	20	HKED	
C[C@@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(C#N)cc1	806424857	XHARBQVYURZPQY-UTKZUKDTSA-N	421.541	5.028	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc2ccccc2s1	915098331	RPDLXYQZQAJDQS-OAHLLOKOSA-N	424.323	5.268	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	916679930	BXFNJJOLWJKNBC-KSFYIVLOSA-N	400.438	5.133	30	20	HKED	
Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)c2)c(C)c1	916898511	BWPHIKIOOILNLR-QFIPXVFZSA-N	414.530	5.557	30	20	HKED	
N#C[C@@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	916913300	WEQBOUCGDICFDM-ZDUSSCGKSA-N	409.700	5.317	30	20	HKED	
Cc1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c(C)n1C1CCCCC1	917024531	IZJZRWLLXWEIAQ-UHFFFAOYSA-N	408.571	5.143	30	20	HKED	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F	917045214	WUXHQEHBSBCADU-JQWIXIFHSA-N	424.234	5.382	30	20	HKED	
COc1cc(/C=C\C(=O)c2ccc(C)s2)cc(Br)c1OC(F)F	917142819	AEWCDIBFSQWLMA-PLNGDYQASA-N	403.244	5.325	30	20	HKED	
Cc1ccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1	919986179	ZIARUIDBFRLHRE-UHFFFAOYSA-N	421.469	5.176	30	20	HKED	
C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCCC1	1723987387	SPPPDDUUMPROQO-HZPDHXFCSA-N	401.942	5.000	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[C@@H]2C)CC1	1823752439	SJZPOOUBCZGCTQ-ILWGZMRPSA-N	402.623	5.035	30	20	HKED	
N#CCc1ccc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1	15029851	CCVKNANNSKDRSU-QHCPKHFHSA-N	406.938	5.867	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C[C@H](C#N)CCC#N	25230120	USNZIWAQHLOCTG-SFHVURJKSA-N	403.917	5.068	30	20	HKED	
C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C#N)cc1	48161822	QOGVNQDTKBHBKX-SFHVURJKSA-N	410.477	5.086	30	20	HKED	
CCCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl	56151128	AHMGLLVWEJRWLD-UHFFFAOYSA-N	417.896	5.271	30	20	HKED	
CC(C)(C)c1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1	64715486	QYHZYIWDAYASQX-JTQLQIEISA-N	403.479	5.332	30	20	HKED	
C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2ccccc2Cl)c1=S	97507083	FVXANWWMISNKLB-LJQANCHMSA-N	411.962	5.110	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c2)cc1	303200299	NZIMREURXDYSIZ-UHFFFAOYSA-N	420.390	5.151	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1	303365085	QYMKQZZJEWRVOE-ZDUSSCGKSA-N	409.433	5.030	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cccc(SCC#N)c2)cc1	429833394	QGUGWNNEMXPFFI-QHCPKHFHSA-N	420.509	5.164	30	20	HKED	
N#Cc1cnc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(Cl)c1	431570019	IKUWPJJPOONIRT-UHFFFAOYSA-N	409.685	5.289	30	20	HKED	
N#CCCC[C@@H](NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1	433023783	AABUUTBTXAXTRD-HSZRJFAPSA-N	418.541	5.762	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12	435557160	HMUGMJYKEJSVFH-GOSISDBHSA-N	423.472	5.613	30	20	HKED	
COc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1O	436342028	WKSYIHHHTZHHOH-GOSISDBHSA-N	407.857	5.354	30	20	HKED	
CCCc1c(NC(=O)N(C)Cc2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1	439673006	MGRLAKIDBNHCJC-UHFFFAOYSA-N	407.905	5.014	30	20	HKED	
Cc1cncc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1	442902735	RQTVFQFTOHRTPF-AWEZNQCLSA-N	416.287	5.821	30	20	HKED	
C[C@@H](SCc1nnc(-c2ccccc2Br)o1)c1cccc(C#N)c1	443153019	KSFZORFPTYZBRQ-GFCCVEGCSA-N	400.301	5.365	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1F	444115728	DKLPEWWIKDBNDY-UHFFFAOYSA-N	404.426	5.194	30	20	HKED	
C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cn(CCCC#N)c2ccccc12	444227983	SJIMHQDPECVBHW-SBUREZEXSA-N	421.928	5.201	30	20	HKED	
C=CCN(C(=O)c1cnc(C(C)C)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	448168163	FFLNFLOAACBCDV-UHFFFAOYSA-N	414.512	5.131	30	20	HKED	
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC=C(c2ccc(Cl)c(Cl)c2)CC1	460386925	JOGPEAJPPWAGEH-LJQANCHMSA-N	419.356	5.306	30	20	HKED	
C=CCn1c(SCCCCCn2c(C)nc3ccccc32)nnc1-c1cccnc1	460871391	BTLDPUDNPHKCKI-UHFFFAOYSA-N	418.570	5.147	30	20	HKED	
C[C@@H](C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1cccc(C#N)c1	462250665	ZNELNDXGVJJEOA-CLOONOSVSA-N	423.516	5.278	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(F)c(Br)c2)c2ccccc21	469499389	JJXICYBIAUWCHL-UHFFFAOYSA-N	400.251	5.099	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)c1	471913905	ZYQKBXMSNNWYSF-GHTZIAJQSA-N	422.912	5.368	30	20	HKED	
N#Cc1ccc(SCC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1	474868290	KBIAJRFXIXCQCJ-UHFFFAOYSA-N	404.457	5.075	30	20	HKED	
N#CCC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12	476905327	WIFUGLBAAAIEJD-UHFFFAOYSA-N	418.500	5.876	30	20	HKED	
Cc1cc([C@H]2CN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CCO2)ccc1F	482930930	LLOQFDRICYRESG-OXJNMPFZSA-N	413.518	5.134	30	20	HKED	
N#Cc1cc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)ccn1	483100478	GNMMJIGQWUUBEW-UHFFFAOYSA-N	414.465	5.063	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1	483241043	ICDSNLWHHNXEJS-OAQYLSRUSA-N	407.404	5.528	30	20	HKED	
N#CCCN(C(=O)c1csc(-c2ccccc2F)n1)C12CC3CC(CC(C3)C1)C2	486555122	BBEWTCVYOCPEIX-UHFFFAOYSA-N	409.530	5.274	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O	488689087	VEPPRTJMJYMXDZ-XMMPIXPASA-N	423.516	5.193	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccc(C)cc1	489673968	XSWDDIUURVQABU-UHFFFAOYSA-N	418.522	5.395	30	20	HKED	
CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	490928297	QVSACZAWHWYMND-JOCHJYFZSA-N	405.542	5.764	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	498958093	NPYJXEJFTSXQQE-GOSISDBHSA-N	423.582	5.135	30	20	HKED	
N#C[C@H](NC(=O)CCCCc1nc2ccccc2s1)c1c(Cl)cccc1Cl	499861697	MJPDDPMBHWMVGE-INIZCTEOSA-N	418.349	5.697	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCC3CCSCC3)cc2Cl)cc1	502618099	REHFZFBOSNKNNY-UHFFFAOYSA-N	401.919	5.269	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OC4CCCC4)CC3)cc2)cc1	506635014	KAVCEEVPMOXERB-UHFFFAOYSA-N	405.498	5.306	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2cc(F)c(Br)c(Cl)c2)c1	507172306	AXARSWDDPOWCHS-UHFFFAOYSA-N	411.658	5.176	30	20	HKED	
N#CC1(CCCSCc2ccc(OCc3ccccc3F)nc2)CCOCC1	512382123	BXMGIAAMVUGREY-UHFFFAOYSA-N	400.519	5.133	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(C)c1	512762641	DMDAEHMPTPJGPZ-INIZCTEOSA-N	417.534	5.438	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1	514120276	HJSPPKMCKJEQSH-XUZZJYLKSA-N	408.517	5.380	30	20	HKED	
C=CCC(C)(C)c1noc(C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1	514619076	RQZHOCMCZKYBSY-LJQANCHMSA-N	409.917	5.291	30	20	HKED	
COc1ccc([C@@H](C)N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1	517352700	CDIKRADVFFSCKY-MRXNPFEDSA-N	404.441	5.331	30	20	HKED	
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ncsc1C(F)(F)F	517713922	MUDSKRFGSPWFEV-VIFPVBQESA-N	422.272	5.214	30	20	HKED	
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N	518259070	CSFYOEYVGFGJSQ-INIZCTEOSA-N	410.499	5.209	30	20	HKED	
C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1ccc(F)cc1	518705429	ZWOKISORSHHENP-UHFFFAOYSA-N	413.428	5.302	30	20	HKED	
Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)n1	520921019	JNVQENQHXVRLJS-AWEZNQCLSA-N	419.510	5.196	30	20	HKED	
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1	521605720	ASISIECEYLCNRT-RJGXRXQPSA-N	416.908	5.746	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)NCCOC2CCCCCC2)cc1	522836795	VQCFHEFCXKANPO-UHFFFAOYSA-N	421.541	5.193	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc(C(C)(C)C)cs1	523585492	LJIBPRCIKZYHOZ-MRXNPFEDSA-N	404.539	5.118	30	20	HKED	
C=CCn1c(SCc2ncc(C)o2)nc2scc(-c3ccc(C)cc3)c2c1=O	525109557	OCIXBNLFBMCRJI-UHFFFAOYSA-N	409.536	5.208	30	20	HKED	
Cc1ccc(C)c(SCc2cccc(C(=O)N(CCC#N)Cc3cccnc3)c2)c1	525580310	MTGCKGXBECNGIN-UHFFFAOYSA-N	415.562	5.547	30	20	HKED	
N#CCc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1	535436625	NHWYHQADHLTVSX-UHFFFAOYSA-N	409.411	5.009	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	536212259	ANCFRZHCCKDTHR-UHFFFAOYSA-N	420.444	5.776	30	20	HKED	
Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1	536259323	VGSBOYCYHGOHLC-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	537436248	ZCIPYVWTMNIUCU-UGSOOPFHSA-N	403.910	5.091	30	20	HKED	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N	540557281	GYZPGQOPWOTCMR-MDOVXXIYSA-N	401.507	5.118	30	20	HKED	
CCC(CC)(NC(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(Cl)c(Cl)c1	540816427	SYFZVFDRUJXYNY-UHFFFAOYSA-N	408.333	5.249	30	20	HKED	
Cc1ccccc1C1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1	541630784	HOWFCVULVDKRFF-UHFFFAOYSA-N	400.478	5.059	30	20	HKED	
Fc1cccc([C@@H](NCc2nc3cc(C(F)(F)F)ccc3o2)C(F)(F)F)c1F	544124843	NUOFTMZAVIUXKR-OAHLLOKOSA-N	410.264	5.518	30	20	HKED	
CCCc1c(NC(=O)N2CCC(C)=C(c3ccco3)C2)cnn1-c1cccc(C#N)c1	549001165	NWCAAFFZVDSQKX-UHFFFAOYSA-N	415.497	5.001	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1	555035478	AKFDSMWXDWWGOD-UHFFFAOYSA-N	420.513	5.013	30	20	HKED	
CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CCC#N)c3ccc(F)cc3)c12	558138747	OMGSCJOZUOGKNR-UHFFFAOYSA-N	418.428	5.135	30	20	HKED	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2ccc(F)c(C#N)c2)c1C	560062875	HSSDWSXQUKBEDT-UHFFFAOYSA-N	403.244	5.059	30	20	HKED	
COCC[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(Cl)c(Cl)c1	565438202	RORRQQLNQFADPZ-QGZVFWFLSA-N	415.267	5.334	30	20	HKED	
CCC(C)(C)OCc1cccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1C	567533623	PNNMECMPGXXKJE-IBGZPJMESA-N	423.532	5.176	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)ccn1	576747279	NLFFYACVVOBMTJ-CABCVRRESA-N	418.419	5.236	30	20	HKED	
Cc1csc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1C#N	577559131	QFLNWKLZKLZBFJ-UHFFFAOYSA-N	408.266	5.054	30	20	HKED	
CSC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1cccs1	578676276	WTGCIUUIDPMLON-IBGZPJMESA-N	402.566	5.162	30	20	HKED	
C=C(C)CN(Cc1cccc(NC(=O)c2ccccc2Cl)c1)Cc1ccc(CO)o1	581600306	KBPUXPKQDOFPON-UHFFFAOYSA-N	424.928	5.256	30	20	HKED	
C=C(C)COc1cccc(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1	589740969	NCFDTUXZAIALMJ-UHFFFAOYSA-N	422.312	5.051	30	20	HKED	
N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2cc(F)ccc2s1	592973348	DMFDGMZWIOJSFB-OAHLLOKOSA-N	421.478	5.239	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cccc(C(F)(F)F)c1	603601379	XIZLHMXQBZKGLS-UHFFFAOYSA-N	411.383	5.254	30	20	HKED	
Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N(C)Cc1cccc(C#N)c1	603658314	MYSWPRKAOAZHOZ-UHFFFAOYSA-N	401.514	5.014	30	20	HKED	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(C#N)cc1OC	604012961	IQQBLXVNXZIJHI-UHFFFAOYSA-N	421.324	5.081	30	20	HKED	
N#Cc1ccsc1NC(=O)c1oc2ccccc2c1COc1ccccc1Cl	608802306	NNBDXIMXDWXZDL-UHFFFAOYSA-N	408.866	5.851	30	20	HKED	
Cc1sc(CNC(=O)c2cc3ccccc3n2CC#N)nc1-c1ccc(Cl)cc1	609167381	YFLXDTWMCUPEIJ-UHFFFAOYSA-N	420.925	5.180	30	20	HKED	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cc2ccccc2n1CC#N	609173493	VMCWVQPGRPJXPY-IBGZPJMESA-N	409.489	5.866	30	20	HKED	
CC(C)N(C)Cc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1	609433408	XVQRMABZALLWHX-UHFFFAOYSA-N	413.565	5.267	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)s1	609589159	KKXKZPLNGQZLFD-CYBMUJFWSA-N	422.362	5.410	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)cc1	609641451	VCPGEFLFIGJXSQ-UHFFFAOYSA-N	419.484	5.375	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1	609683690	HBKLGKXHWRDEOT-LJAQVGFWSA-N	404.535	5.215	30	20	HKED	
CCC[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccn1	609724265	MZHQTDRHZHDNEE-OAQYLSRUSA-N	405.885	5.670	30	20	HKED	
COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2cc3ccccc3n2CC#N)cc1	610191615	QXTPJNJDJJBPHO-IBGZPJMESA-N	423.516	5.674	30	20	HKED	
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cccc(C#N)c1	610684445	AXNAREJBLAXHFD-JTQLQIEISA-N	414.239	5.027	30	20	HKED	
Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)o2)c1	610859302	IIQDDGDDPUEENF-OAHLLOKOSA-N	424.551	5.028	30	20	HKED	
C[C@@](C#N)(CCc1ccccc1)NC(=O)c1sc(-c2ccccc2)nc1C(F)F	611185535	DQIWDZGFYWBZHN-QFIPXVFZSA-N	411.477	5.393	30	20	HKED	
N#Cc1cn(CCSc2ccc(Cl)cc2)c2ccc(Br)cc2c1=O	611444136	TUQQCNPKTQHZRG-UHFFFAOYSA-N	419.731	5.081	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(Sc2ccccc2C#N)cc1	611549578	WFYNOYJJDJVGAG-PBHICJAKSA-N	404.457	5.512	30	20	HKED	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)N[C@H]1CCc2cc(C#N)ccc21	618845595	FDACCVMQMMEIHJ-JTSKRJEESA-N	401.535	5.580	30	20	HKED	
FC(F)(F)c1ccccc1OCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	622818325	MGRAWEMFRBOLEL-GHMZBOCLSA-N	409.292	5.147	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NCc2cc(OC)cc(C(F)(F)F)c2)cc1	630067556	ICNFBWMYZZWZJX-UHFFFAOYSA-N	404.432	5.140	30	20	HKED	
C[C@H](CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1	674447334	QAFGKFFRCRWBNQ-ICCXJUOJSA-N	421.303	5.398	30	20	HKED	
COc1ccc2ccccc2c1CN(C(=S)Nc1ccccc1C#N)C1CCCC1	727979113	HKAKUUAYMSKNBV-UHFFFAOYSA-N	415.562	5.862	30	20	HKED	
Cc1nc(/C=C2/COc3ccc(F)cc32)sc1C(=O)/C=C1/COc2ccc(F)cc21	729149513	ISMKQJANJCEKTN-POIBIGJCSA-N	423.440	5.321	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12	729888527	HFKLRFLTLZOARV-LLYNTOJYSA-N	412.489	5.378	30	20	HKED	
FC(F)Oc1ccc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cc1Cl	731486594	PMZRHSIEMUZPBX-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCc2ccccc2C1)c1nc(-c2c(F)cccc2F)cs1	732598261	LKDXXHIAJMVMNG-PBHICJAKSA-N	408.473	5.460	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)c1	733806758	LZAGDFVYSQRNTL-FXAWDEMLSA-N	405.498	5.406	30	20	HKED	
Cc1cc(CNCc2ccc(OCC#N)cc2)cc(C)c1OCc1ccccc1Cl	734842982	GDXVBNJEWKTZJU-UHFFFAOYSA-N	420.940	5.728	30	20	HKED	
C=CCCOCC(=O)O[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C	739300847	INFHQFRVEYTQLV-ZDUSSCGKSA-N	410.333	5.078	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](CC(C)C)c3ccccc3)n2)cc1	741113353	QDONDUUOKPDKRD-SFTDATJTSA-N	404.535	5.825	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCC(c2ccccc2)CC1	744030516	GWEXGWGOULRWFO-LEOMRAHMSA-N	415.320	5.615	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CC(=O)c3cccc(F)c3)n2)cc1	744060781	BALUXUFLEGWNAY-KUHUBIRLSA-N	422.481	5.043	30	20	HKED	
C=CCCOCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]32)C1	744333683	DRYKKLUXYMTCBS-GGYSQDOYSA-N	400.559	5.023	30	20	HKED	
N#CCOc1ccc(CN(Cc2ccc(Cl)cc2)c2ccc3nc(O)[nH]c3c2)cc1	744406175	AHTFJHDYLDOCSB-UHFFFAOYSA-N	418.884	5.031	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)cc1OC	749367561	HGWJULRUVLADDU-GXDHUFHOSA-N	415.493	5.110	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)s1	750684559	RQNFUBRWECJVMP-CABZTGNLSA-N	414.886	5.167	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(CCC(F)(F)F)cc2)c1	753546083	ARQRLZLGPQRMTC-GOSISDBHSA-N	405.420	5.184	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](c3ccc(F)cc3)C(C)C)n2)cc1	756529537	RMPHBXWUPJSAJF-CTNGQTDRSA-N	408.498	5.574	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)cc1	756950674	VGBONVXLBXQUBG-UHFFFAOYSA-N	412.415	5.273	30	20	HKED	
Cc1ccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1	757875692	TXTXOFXSUQNILG-GOSISDBHSA-N	424.287	5.325	30	20	HKED	
N#Cc1ccccc1Sc1ccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1	761482420	MLRSZGFVYDTBDI-UHFFFAOYSA-N	422.473	5.007	30	20	HKED	
C#CCOc1ccc(F)cc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F	761744351	ZOQSDCFPFNDPQD-UHFFFAOYSA-N	402.397	5.151	30	20	HKED	
Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	766275790	PROXGSXDHCNWCJ-LJQANCHMSA-N	422.937	6.001	30	20	HKED	
N#CCCCn1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)c2ccccc21	768205719	BWNWGVQLJMAVRC-AREMUKBSSA-N	423.516	5.075	30	20	HKED	
N#C[C@@H]1C(CN[C@@H](CC2CCCC2)c2ccccc2)=CC(=O)n2c1nc1ccccc12	775550687	LGKJAWZBQWVWHI-GGAORHGYSA-N	410.521	5.135	30	20	HKED	
COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)CCCC2)cc1OC	777317582	FKZMWEOGRCZJNZ-MRXNPFEDSA-N	424.497	5.141	30	20	HKED	
CCCCCCOc1ccc(/C=C2/CN(C(C)=O)Cc3ccccc3C2=O)cc1OC	778520313	TTYPFSJQSPRYGB-JCMHNJIXSA-N	421.537	5.283	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1	780508896	DDUNORBEKKXJJC-GOSISDBHSA-N	400.482	5.258	30	20	HKED	
C#CCC1(C(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)CCCCC1	788451399	BXSKNEYXVMKMNK-UHFFFAOYSA-N	408.929	5.529	30	20	HKED	
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1	789341955	HKRZVGARBPWLML-INIZCTEOSA-N	412.367	5.235	30	20	HKED	
N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nccc2ccccc12	792097991	ZRAWPEVKFVCCAI-LJQANCHMSA-N	401.853	5.352	30	20	HKED	
N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nccc2ccccc12	792108651	YJXLAUOOJOYEEO-GOSISDBHSA-N	403.894	5.431	30	20	HKED	
N#CC[C@H](CC(=O)Nc1cc(-c2ccccc2Br)no1)c1ccccc1	795094472	ZPLFJXLMTIXIEZ-OAHLLOKOSA-N	410.271	5.130	30	20	HKED	
CN(Cc1cccc(NC2CCN(c3ccc(C#N)cc3)CC2)c1)C(=O)OC(C)(C)C	796911586	HIZYDBZBUUFCDZ-UHFFFAOYSA-N	420.557	5.006	30	20	HKED	
Cc1sc2ncn(N=Cc3cscc3C(F)(F)F)c(=O)c2c1-c1ccccc1	811632348	LRZPJUMPBDCSOJ-UHFFFAOYSA-N	419.453	5.396	30	20	HKED	
CC(/C=C\C(=O)c1ccc(N2CCC(O)CC2)cc1)=C\c1ccccc1OC(F)F	811689644	ILUBEFHJBTTXJL-OBCPEDFMSA-N	413.464	5.092	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2cccc3ccccc23)cc1	916708146	LMLJNTBRLFAMOU-VWLOTQADSA-N	421.500	5.696	30	20	HKED	
Cc1cccc2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c(Cl)c12	916919647	YTLJTIQSEVBWTB-INIZCTEOSA-N	418.905	5.978	30	20	HKED	
COc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1	917046731	NHKKVDCIHMCSLK-INIZCTEOSA-N	412.898	5.188	30	20	HKED	
N#C[C@H](C(=O)CN(Cc1ccc2ccccc2c1)C1CC1)c1nc2ccccc2s1	920090095	ZJEZWMCDXZFOBC-OAQYLSRUSA-N	411.530	5.290	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(OCC2CCCCC2)cc1	920111195	YPGZROJDDOMYCE-OAQYLSRUSA-N	420.509	5.006	30	20	HKED	
COc1cccc([C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	920112932	NIWDWQSTKKOBDH-XHDPSFHLSA-N	404.413	5.304	30	20	HKED	
C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCOCC=C)CCC2)cc1	1785840787	GHWMQFPKVMZUOV-UHFFFAOYSA-N	412.574	5.096	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C)CCCCC2)[nH]n1	1819309692	GDUDGGWDEQCPKF-AZUAARDMSA-N	412.578	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1	1819554971	UVKGOUSWPXHMBD-UYAOXDASSA-N	412.578	5.141	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822960949	UOKHTUIDWMOACP-LMKYQYBXSA-N	424.589	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1	1829066631	OFZUZQWNIWSVGC-SFHVURJKSA-N	420.981	5.159	30	20	HKED	
C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1	9448738	GFRRYJXCDWYOCM-UHFFFAOYSA-N	419.337	5.169	30	20	HKED	
O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1cccc(Cl)c1	10755943	XQDRLRDJEXOIND-UHFFFAOYSA-O	420.316	5.471	30	20	HKED	
Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1C	11163448	PZEQLXUDQKDDBA-UHFFFAOYSA-O	419.570	5.471	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2C)cc1	11168512	QHHCNUHXXDYBOY-UHFFFAOYSA-O	415.582	5.385	30	20	HKED	
C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1C1CC1	14065642	FQFXNRSSKKFPNV-UHFFFAOYSA-N	417.749	5.033	30	20	HKED	
C=CCn1c(SCc2ccc(-n3cccn3)cc2)nnc1-c1ccc(Cl)cc1	14644186	QKHBGNPJJPIVOM-UHFFFAOYSA-N	407.930	5.263	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1	18091582	BBJJRNFNVRVNRL-VIFPVBQESA-N	424.334	5.456	30	20	HKED	
C=CCn1c(-c2ccco2)nn(CN(C)Cc2ccc(Cl)c(Cl)c2)c1=S	28791280	KWQGFFGLOBLUIU-UHFFFAOYSA-N	409.342	5.256	30	20	HKED	
CC(C)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc2c(c1)OCCO2	58705836	VRQSZSPBCLPQHP-UHFFFAOYSA-N	414.461	5.038	30	20	HKED	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	97577553	FWYSPZHSWSCSEA-UHFFFAOYSA-N	401.466	5.500	30	20	HKED	
CCOc1ccc([C@@H]2CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1	195633025	ZZDHMCNJVWBYSY-NRFANRHFSA-N	416.443	5.002	30	20	HKED	
C=C(C)COc1cc(CNC2(c3ccc(Cl)cc3)CCOCC2)ccc1OC	237343398	BTKJBUMEVRQEPF-UHFFFAOYSA-N	401.934	5.099	30	20	HKED	
C=CCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC	303358164	PHPRVBNNZRXJFF-UHFFFAOYSA-N	400.434	5.176	30	20	HKED	
C[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(C(F)(F)F)cc1	409677584	GHOCRQFOJKDDEX-APMMTJHUSA-N	416.443	5.187	30	20	HKED	
C=CCCc1ccccc1NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1	410344683	MGLWSHQOXCFLHO-UHFFFAOYSA-N	408.523	5.127	30	20	HKED	
CCSc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccn1	428658671	ACTWPELMFMFKQO-UHFFFAOYSA-N	419.575	5.288	30	20	HKED	
CCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F	430906274	JPSMQNYMDRUDHK-JOCHJYFZSA-N	423.488	5.227	30	20	HKED	
N#CCSc1cccc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c1	431023951	TZQUUNMOWLIQDZ-UHFFFAOYSA-N	407.926	5.820	30	20	HKED	
C[C@H]1CCCN(Cc2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)C1	431825513	TUNXLZJBCKXWTB-SQJMNOBHSA-N	418.585	5.153	30	20	HKED	
CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1	431989106	YRYWSYJVROFXSY-NRFANRHFSA-N	405.542	5.622	30	20	HKED	
C=CCN(Cc1csc(CC(=O)Nc2ccccc2)n1)Cc1ccc(Cl)s1	432978723	KIRKQNNWXCWZKH-UHFFFAOYSA-N	417.987	5.227	30	20	HKED	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F	433612809	PDOTUNFLJGJGRS-HWPZZCPQSA-N	422.344	5.692	30	20	HKED	
O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	434121564	SEEYTYPFSWIZTR-NVAPZFPCSA-N	423.372	5.694	30	20	HKED	
Cc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cccc1C(=O)Nc1ccccc1	439366315	ASOQXQRIYMOHTA-QHCPKHFHSA-N	412.493	5.414	30	20	HKED	
N#CCC[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1	439659353	SUDOPOLXFWOIOP-GOSISDBHSA-N	423.925	5.429	30	20	HKED	
C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1	440448156	BXTNLTULSSVFEB-HNNXBMFYSA-N	403.463	5.109	30	20	HKED	
C=CCC[C@@H](NC(=O)C[C@H](NC(C)=O)c1cccs1)c1ccc(C(F)(F)F)cc1	441540393	BQFNRBAODSXWIZ-MSOLQXFVSA-N	424.488	5.158	30	20	HKED	
C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)c1	442513975	BZRGGMOUWZNVHB-LJQANCHMSA-N	414.505	5.077	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c2ccccc21	444305216	YWQDDUNHTRKPPM-OFNKIYASSA-N	405.542	5.089	30	20	HKED	
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1	444388993	NHDBCHGPCLNPIM-CYBMUJFWSA-N	404.333	5.366	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCn2c(cc3c(Cl)cccc32)C1	444895415	JUIGNADKMBNUJF-HNNXBMFYSA-N	424.957	5.737	30	20	HKED	
C[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccccc3C#N)c(F)c2)C1=O	446157726	MKCUKICFFQWWQT-INIZCTEOSA-N	415.424	5.019	30	20	HKED	
CC(=O)Nc1cccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1	460338630	JZBGONLHKYKTCP-UHFFFAOYSA-N	403.869	5.017	30	20	HKED	
C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC2(CCOCC2)[C@H]1C	460559329	LZTXWOOWVUZFSJ-OAHLLOKOSA-N	421.372	5.223	30	20	HKED	
CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1	464402434	FAFWCXLMLOMSID-IBGZPJMESA-N	410.395	5.656	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1OCC	465412905	ZMWZVXARDCXJNK-NYVOZVTQSA-N	421.541	5.026	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1	468061890	MMDLPCRYPHLJST-QGZVFWFLSA-N	416.452	5.646	30	20	HKED	
C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	468117001	LGHMSTVSZSSQHC-OAQYLSRUSA-N	404.869	5.281	30	20	HKED	
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccccc1-c1ccccc1C#N	472840873	XIRJBFGIEXDFRT-IBGZPJMESA-N	406.489	5.592	30	20	HKED	
O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)F)cc1	474264753	HREHQLSCJWIVNM-CQSZACIVSA-N	411.292	6.067	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	475557822	FGSAIHADRWDTFH-NRFANRHFSA-N	406.526	5.679	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Cc1cc(Br)ccc1OC	476123854	QTKWVUMQBXCVGU-UHFFFAOYSA-N	402.332	5.491	30	20	HKED	
COc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2OC)cc1	476416127	FFGQDEUVWBDFOO-DEOSSOPVSA-N	414.505	5.024	30	20	HKED	
Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	477518126	FQXSLQVINGWGIZ-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	480735367	QGOAVIYAOVQKOP-UHFFFAOYSA-N	412.868	5.329	30	20	HKED	
C=CCn1c(COc2ccccc2)nnc1SCc1csc(C(C)(C)C)n1	481401359	LMTAXPHLLXOLMF-UHFFFAOYSA-N	400.573	5.089	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	487998873	YIBARJVMGOWOSH-UHFFFAOYSA-N	423.831	5.102	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C)c3C)o2)cc1	489760599	QKRRBAAXYWVCKM-INIZCTEOSA-N	409.511	5.038	30	20	HKED	
CCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	497888794	KHGLZVDQATXUGB-GFCCVEGCSA-N	422.362	5.934	30	20	HKED	
N#C[C@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)c1c(Cl)cccc1Cl	499857633	AFFSLNPSVRCGPY-AWEZNQCLSA-N	410.207	5.071	30	20	HKED	
CCN(CC)c1nc2sc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2s1	503973043	ODPGCHUDTRPHOY-UHFFFAOYSA-N	422.579	5.005	30	20	HKED	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1	505331233	OXKSCWXRABTUHB-INIZCTEOSA-N	422.287	5.112	30	20	HKED	
N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1Cl	505627681	AACVMMBRDMZRRW-QGZVFWFLSA-N	402.306	5.040	30	20	HKED	
N#C[C@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)c1ccccc1F	505932843	BTDVFFOVFBLOPX-SFHVURJKSA-N	422.506	5.920	30	20	HKED	
COc1ccc(CN(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1OCCCC#N	507210649	KIHFEAUBFZBIKB-MRXNPFEDSA-N	406.448	5.590	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1c(Br)sc(C)c1C)c1ccc(F)c(F)c1	507922567	KVOBPZNFBPGSBP-OAHLLOKOSA-N	400.288	5.453	30	20	HKED	
CC(C)COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccco1	508270807	YETBKIAPBIMMPR-JOCHJYFZSA-N	419.481	5.479	30	20	HKED	
O=C(Cc1cccc(OCC(F)(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509296417	ZPLUBHQKUOVTOV-INIZCTEOSA-N	423.328	5.119	30	20	HKED	
C[C@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccc(-c2cccc(C#N)c2)cc1	509316520	KEQWTDSHBXISHX-KRWDZBQOSA-N	401.510	5.321	30	20	HKED	
CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCc2ccccc2C1	510008269	QFYBHJJUTZJXFJ-JOCHJYFZSA-N	414.505	5.140	30	20	HKED	
CN(Cc1cccc2ccccc12)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	510325549	VCUVMXQJDQBEQO-UHFFFAOYSA-N	413.399	5.316	30	20	HKED	
C=CCOc1cccc(NC(=O)NCc2cccc(COCc3ccccc3)c2)c1	510735808	OWXLOYZJGIQFOF-UHFFFAOYSA-N	402.494	5.290	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccccc2)C1	510886941	GNFYAPLIRYLQLL-DEOSSOPVSA-N	413.477	5.264	30	20	HKED	
CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cs2)cc1	513656030	WSPBXZUXRBJKHZ-OAHLLOKOSA-N	405.504	5.309	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1csc(Cc2ccccc2)n1	515451177	FOHAIPNIIXWQRZ-UHFFFAOYSA-N	401.516	5.586	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(OCC(F)(F)F)cc1	515688117	PRSJJWHYWBOKLC-UHFFFAOYSA-N	402.397	5.480	30	20	HKED	
Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1	516899196	ACRKWLGDVSAKLB-HNNXBMFYSA-N	406.873	5.147	30	20	HKED	
C=CC1CCN(C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)CC1	518382425	WUVZLSKFHXIZND-UHFFFAOYSA-N	406.910	5.140	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3	521727675	YIMYOAJHSVKONO-INIZCTEOSA-N	420.534	5.581	30	20	HKED	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	522541968	GSBQKSOTWVHNSR-HXUWFJFHSA-N	405.885	5.150	30	20	HKED	
C=CCN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)Cc1cccs1	535224595	GIBBLTQENBWTRT-UHFFFAOYSA-N	411.596	5.694	30	20	HKED	
CCSc1ccc([C@@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	538202235	WMGLANAPMOMVRU-DLBZAZTESA-N	413.612	5.482	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)nn1CCC#N	539715586	ZQPINHZPYQOHRX-UPVQGACJSA-N	413.525	5.088	30	20	HKED	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	539717255	UNIJHWSHHHYUFC-UHFFFAOYSA-N	411.383	5.432	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1sc(C(C)(C)c2ccccc2)nc1C	539843571	GAAUPFGWHYDSOK-UHFFFAOYSA-N	405.523	5.300	30	20	HKED	
C=CCn1c(S[C@H](C)c2ncc(C)o2)nnc1-c1ccc(Br)cc1	539998554	HHCFTUOYGOINHU-GFCCVEGCSA-N	405.321	5.043	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(SC3CC3)cc2)cc1	542162800	DOCZCUSIHLPIDJ-UHFFFAOYSA-N	414.530	5.838	30	20	HKED	
N#Cc1ccc(CN(C(=O)NCc2ccccc2OCc2ccccc2)C2CC2)cc1	542444089	YDOVVFDGPSIJBV-UHFFFAOYSA-N	411.505	5.011	30	20	HKED	
Cn1cc(-c2ccc(F)c(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c2)cn1	542932946	PUYVSZVGXPUPOO-UHFFFAOYSA-N	408.502	5.071	30	20	HKED	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(CC(F)(F)F)no1	547000036	GSJNLPVIPFEULG-UHFFFAOYSA-N	422.432	5.180	30	20	HKED	
C[C@H](NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1	547451062	YRCCNNDZMOEIMN-LIRRHRJNSA-N	419.472	5.138	30	20	HKED	
CC(C)c1noc(Cc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)n1	549053913	YDUWUCBAOMHGLZ-UHFFFAOYSA-N	417.513	5.098	30	20	HKED	
FC(F)(F)c1ccc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc1	551389916	ORZSPCDTPBOCPO-ZDUSSCGKSA-N	402.260	5.512	30	20	HKED	
C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	563628826	FKGROAXRGQZFQC-SNVBAGLBSA-N	422.335	5.402	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1	568031548	CNGOTACQRGLJTB-GFCCVEGCSA-N	414.328	5.577	30	20	HKED	
N#Cc1ccc(CNc2cccc(C[S@](=O)c3ccccc3)c2)c(C(F)(F)F)c1	575167639	LMBBTKZGYTUJNT-LJAQVGFWSA-N	414.452	5.497	30	20	HKED	
C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1cccc(C)c1C	581517334	YXHFXKJSNTXQMG-HSZRJFAPSA-N	402.542	5.139	30	20	HKED	
CC(C)(C)c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1	588348895	FXEXQPMKSDHYPO-CYBMUJFWSA-N	401.944	5.708	30	20	HKED	
C=CCN(C(=O)Cc1nc(-c2ccsc2)oc1C)c1nc(-c2ccccc2)cs1	588784952	ADKKPEYBPLNQKW-UHFFFAOYSA-N	421.547	5.597	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cc2)cs1	589845996	SNVQWQPUPXWXQJ-MSOLQXFVSA-N	418.566	5.105	30	20	HKED	
CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	603691075	YNEDVLLHKNPKHE-UHFFFAOYSA-N	408.461	5.563	30	20	HKED	
CCC(=O)Nc1cccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1	603958139	DNXVSQALPROEPH-UHFFFAOYSA-N	415.468	5.201	30	20	HKED	
Cc1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OC(F)F)cc1C	608053373	QAILXMXURDRMEN-CHWSQXEVSA-N	419.356	5.904	30	20	HKED	
Cc1ccc(-c2nc(CCNCc3cccc(OCc4cccc(C#N)c4)c3)co2)cc1	609222968	RKZRYAUURQNCEY-UHFFFAOYSA-N	423.516	5.433	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	609376678	HUBQFZZIZCVKPM-CYBMUJFWSA-N	424.507	5.222	30	20	HKED	
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1	609643569	ISKNQWSFPFECQX-UHFFFAOYSA-N	419.868	5.001	30	20	HKED	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2cc3ccccc3n2CC#N)cc1	610189258	RRDOYTPVCMRFFU-GOSISDBHSA-N	409.489	5.331	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c(Cl)c1	611142169	KDYHGJBRUHLQPN-UHFFFAOYSA-N	424.259	5.443	30	20	HKED	
CC1(C)CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1c1ccccc1	611840549	ABJHQJGCIUWLMQ-HXUWFJFHSA-N	405.889	5.012	30	20	HKED	
CN(Cc1ccc(F)c(F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612805681	MCKVWYJZAGASAC-GHMZBOCLSA-N	418.328	5.016	30	20	HKED	
O=C(CCSc1ccccc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	642158769	VSJZYEOWZWGNBW-QWRGUYRKSA-N	417.390	5.334	30	20	HKED	
N#C[C@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc2ccccc2o1	642281403	CAVZCOCBTREFDM-LJQANCHMSA-N	424.485	5.258	30	20	HKED	
C[C@H](c1nnc(-c2ccccc2F)s1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1	669930610	QTEPYHHQMCCGMH-FBIMIBRVSA-N	413.362	5.078	30	20	HKED	
N#C[C@H](C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nc2cc(F)ccc2s1	675131221	ZRPYIULYYTYIOW-QGZVFWFLSA-N	407.857	5.641	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1	682777366	OUSXASLEDNYBSV-FQEVSTJZSA-N	417.597	5.986	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C/c3cccc(OC(F)F)c3)SC2=S)cc1Cl	726626176	AHBRJLFDYDSQRZ-CHHVJCJISA-N	422.865	5.219	30	20	HKED	
Fc1ccc(-c2cc(CON=Cc3cccc(OCc4ccncc4)c3)on2)cc1	727435832	XEOZPXIDXKAZDA-UHFFFAOYSA-N	403.413	5.005	30	20	HKED	
Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1	728062118	DXFMNNZDYKJNSZ-FQEVSTJZSA-N	413.521	5.502	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(OCc4cccnc4)cc3)c2)cc1	728494974	UWMWXSXRANUJHZ-UHFFFAOYSA-N	421.456	5.577	30	20	HKED	
C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	728593438	QUSLDBWPDBYSHI-HXUWFJFHSA-N	417.528	5.605	30	20	HKED	
C[C@H](C#N)Oc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1	728694631	DRDYBDVGTOWOHG-VKZJTJHYSA-N	410.498	6.011	30	20	HKED	
N#Cc1ccccc1COc1cccc(/C=C(\Cl)c2nc(O)c3ccccc3n2)c1	731317870	DUQTUZSVRAODOT-BKUYFWCQSA-N	413.864	5.523	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1F	731411045	QFDBYFMSLBKTMR-XHDPSFHLSA-N	419.308	6.236	30	20	HKED	
Cc1ccc(C[C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)c2ccccn2)cc1	734380243	DCVXBWZQMRMBTR-OAQYLSRUSA-N	406.942	5.186	30	20	HKED	
Cc1ccccc1[C@@H](C)CC(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N	734909232	SSWDIXFJASOJMR-ROUUACIJSA-N	410.539	5.065	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)ccc1OC	737552965	FYWZTSDGFPFSMK-PGRDOPGGSA-N	408.542	5.310	30	20	HKED	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1	739162539	YROXFJJSMJXQDL-SUMWQHHRSA-N	415.440	5.279	30	20	HKED	
COc1ccc(CCCN(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1	740064384	LUJREGUOWQSVEN-UHFFFAOYSA-N	419.550	5.070	30	20	HKED	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c(Cl)c1	740825325	JKOKRYJNRBVOMM-NRFANRHFSA-N	405.926	5.279	30	20	HKED	
O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2c(c1)COC2	742436533	LGJZGEJFMLSWCV-FPLPWBNLSA-N	401.409	5.755	30	20	HKED	
C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1C(F)(F)F	744029526	UWMFUFDFJNSYEK-JSGCOSHPSA-N	408.807	5.200	30	20	HKED	
C[C@@H](OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1cccc(C#N)c1	744101534	JLMMSYDMHUABJB-GFCCVEGCSA-N	414.248	5.365	30	20	HKED	
COc1ccccc1C(C)(C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	745267914	CFINEKVRCOFGSL-QFIPXVFZSA-N	413.521	5.450	30	20	HKED	
C=CCn1c(-c2ccc(F)cc2)nn(CN(Cc2ccccc2OC)C2CC2)c1=S	747789186	ZPLZOEIUANVHGD-UHFFFAOYSA-N	424.545	5.037	30	20	HKED	
CN(Cc1ccccc1NC(=O)N[C@H](CCC#N)c1ccccc1)C(=O)OC(C)(C)C	748610868	UGBRUUOLPSMZJY-HXUWFJFHSA-N	422.529	5.220	30	20	HKED	
N#CCOc1cccc(/C=C2\CC[C@H](C3CC3)/C(=C\c3cccc(OCC#N)c3)C2=O)c1	749005987	PEJVNDGOABFJNE-ULGCTQMISA-N	424.500	5.347	30	20	HKED	
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1	750392068	LHKQUOZJUWOGQV-OAQYLSRUSA-N	420.852	5.102	30	20	HKED	
N#C[C@H](C(=O)CCc1ccc(F)cc1F)c1nc(-c2c(F)cccc2F)cs1	752486693	BWEGOMXPNBNRDY-CYBMUJFWSA-N	404.388	5.176	30	20	HKED	
CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)cc1C#N	752797195	QQYZXWQPAAXECS-HZPDHXFCSA-N	408.502	5.079	30	20	HKED	
O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCOc2cc(Br)ccc21	753143510	UQSWZAMXZSDHDP-UKTHLTGXSA-N	413.296	5.016	30	20	HKED	
N#Cc1ccc(CN(C(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)C2CC2)cc1	753770163	ATTYVNKZWZJCQX-GOSISDBHSA-N	416.308	5.063	30	20	HKED	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cs1	754690263	QWXJUCCYIPNURI-FNORWQNLSA-N	402.825	5.084	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Cc3cccc(OCC#N)c3)s2)cc1	760482894	DFAMTLBMOUAGDY-GOSISDBHSA-N	419.550	5.091	30	20	HKED	
Cc1c(COc2ccccc2)cccc1NC(=O)Nc1ccc(F)cc1OCC#N	761663626	LNDWINRMYOIQAZ-UHFFFAOYSA-N	405.429	5.260	30	20	HKED	
C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)C1	766618942	XBAGWODQUDPKSF-SQNIBIBYSA-N	417.500	5.763	30	20	HKED	
N#C[C@@H](C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12	766842083	QISRCNZUFHUVHG-IBGZPJMESA-N	410.395	5.139	30	20	HKED	
CC(C)c1ccc(N2Cc3ccc(NCc4cnc5ccc(C#N)cn45)cc3C2)cc1	771886762	IHTFGFMUSDXVDO-UHFFFAOYSA-N	407.521	5.462	30	20	HKED	
COc1ccccc1-c1ccc(CN(C(=O)Cc2ccccc2CC#N)C(C)C)cc1	776958484	OBRYOSGONLNRSA-UHFFFAOYSA-N	412.533	5.408	30	20	HKED	
Cc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)s2)o1	781770185	YPDBZXDVAPZXKA-GFCCVEGCSA-N	402.834	5.070	30	20	HKED	
N#Cc1ccc(C2(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)CC2)cc1	782197480	LGUFLNBAKUYOKL-UHFFFAOYSA-N	401.463	5.153	30	20	HKED	
C=CCCN(OCc1ccccc1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1	782442087	FCLRUSSHSQCHTM-UHFFFAOYSA-N	400.404	5.072	30	20	HKED	
Cc1c(C(=O)/C=C\c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cnn1C(C)(C)C	787186580	LGXOLHKJDCJCMG-YFHOEESVSA-N	416.447	5.106	30	20	HKED	
COc1ccccc1-c1ncc(/C=C2/CCSc3ccc(Cl)cc3C2=O)cn1	792883580	GCRRGMRWYNFFBZ-GDNBJRDFSA-N	408.910	5.568	30	20	HKED	
C[C@@H](N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(OCC#N)cc1	802321481	XMIXIVJZGCEEJG-OREYRXSPSA-N	423.988	5.507	30	20	HKED	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	805858642	SYYNRLVZAXSNIL-MRXNPFEDSA-N	421.403	5.108	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](c1ccccc1)N(C)C	806201301	WKHBWIIGARRDGK-OWAUWMPXSA-N	412.537	5.155	30	20	HKED	
C=CC[C@H](NC(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccncc1	806821194	RJMCHJSMIYITMG-RBUKOAKNSA-N	405.420	5.048	30	20	HKED	
COc1ccc(-c2nc(C)c(C(C)=NNc3ccc(Cl)c(C(=O)O)c3)s2)cc1	814689924	MEXFZYZEQBRZDH-UHFFFAOYSA-N	415.902	5.315	30	20	HKED	
COc1ccc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1OC(F)F	818246753	XJCBFWHYAYYWAW-VULZFCBJSA-N	401.365	5.035	30	20	HKED	
COc1cc(C=NNc2ccc(OC(F)(F)F)cc2)ccc1OCc1ccncc1	912809292	VTPDMRFUZMBJAS-UHFFFAOYSA-N	417.387	5.014	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1	915179541	RQLFTGPENVGBAT-FQEVSTJZSA-N	413.864	5.903	30	20	HKED	
CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	915351695	BDVPLTANDCOLEZ-NRFANRHFSA-N	423.438	6.025	30	20	HKED	
N#Cc1cccc(OCC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c1	916160136	JONJZEXYNXFBBL-UHFFFAOYSA-N	414.248	5.070	30	20	HKED	
Cn1c([C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)nc2ccccc21	916843384	FAEUJERGMOYQGJ-MRZGDXHCSA-N	403.791	5.135	30	20	HKED	
CCCCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	916887873	ROIDFKHEFVCGMU-SFHVURJKSA-N	402.466	5.305	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1	916949312	NVCUZJJQKYJUMS-KSFYIVLOSA-N	404.510	5.127	30	20	HKED	
CC[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1	916997310	VFEZXWUTLXWSMY-DOTOQJQBSA-N	415.345	6.487	30	20	HKED	
C=CCn1c(SCc2cc(Cl)nc(Cl)c2)nc2sc3c(c2c1=O)CCC3	920069775	SVJPURDNQMKFEG-UHFFFAOYSA-N	424.378	5.127	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2c(C(C)C)noc2n1	920844251	YVUGMANOAUGHGY-NRFANRHFSA-N	410.477	5.562	30	20	HKED	
CC(C)Oc1cccc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	921132340	PUQPNSAJSFSYLT-INIZCTEOSA-N	418.440	5.521	30	20	HKED	
C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)C1	1785809210	YWYWVJZEYZFVDU-GOSISDBHSA-N	413.521	5.028	30	20	HKED	
C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCSC3)CCC2)cc1	1786104394	RGMRBSDXDDWECZ-LJQANCHMSA-N	412.599	5.032	30	20	HKED	
CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1ccc(F)cc1	1791506215	XTWAASFCVNFHSA-QHCPKHFHSA-N	421.516	5.003	30	20	HKED	
Cc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)cc1	7112263	RNJHFHSXZQBYDW-INIZCTEOSA-N	407.930	5.432	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2C2CCCC2)cc1	7201706	SEKKZIGNFKCEPK-KRWDZBQOSA-N	407.587	5.893	30	20	HKED	
COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1cccc(C)c1	10118344	XSBCECVSTLGPJN-UHFFFAOYSA-O	411.572	5.020	30	20	HKED	
C[C@H](OC(=O)c1sccc1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2	21923185	KCVUYVJLYLWLPL-ZDUSSCGKSA-N	422.531	5.021	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c(Cl)c1	26143113	SJMXCLHKXNEKOT-NSHDSACASA-N	413.852	5.362	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1	32503583	FGWRTYDRWHUBMN-UHFFFAOYSA-N	414.914	5.384	30	20	HKED	
C[C@@H](OCCCNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1	46641677	IWMVHIGOOYLFSS-LJQANCHMSA-N	416.546	5.607	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)Cc3cccc4cccnc34)c2)cc1	58426057	VMMUCSQFNGDGSZ-UHFFFAOYSA-N	407.473	5.061	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C23CC4CC(CC(C4)C2)C3)cc1	59326917	AYQMJRDERGYZDI-UHFFFAOYSA-N	402.513	5.443	30	20	HKED	
CC(C)(C)c1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1	195662559	IXRLUYWBOUBKMN-GOSISDBHSA-N	407.564	5.471	30	20	HKED	
Cc1ccc(C)c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1	255939107	YZOAIQQCDYWEFK-UHFFFAOYSA-N	415.518	5.158	30	20	HKED	
O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	303653871	FSNABJOBUHTXIX-AWEZNQCLSA-N	412.349	5.193	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)N[C@H](CCC#N)c3ccccc3)s2)c(F)c1	409995965	HTVMKSYJHOITDS-LJQANCHMSA-N	409.486	5.041	30	20	HKED	
COc1ccc(-n2c(S[C@@H]3CC[C@@H](C#N)C3)nnc2-c2ccccc2Cl)cc1	430099300	DYVOEHIUUIZIQM-RHSMWYFYSA-N	410.930	5.381	30	20	HKED	
COc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)cc1C	431982055	AUKHPIXXAJRVFD-UHFFFAOYSA-N	415.493	5.601	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](CC(F)(F)F)C3)cc2Cl)cc1	434147844	KFOOKCFEWFPMJS-CQSZACIVSA-N	423.822	5.810	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](CC(F)(F)F)C1	434160378	CHJUDCWIYZAPDK-INIZCTEOSA-N	403.404	5.465	30	20	HKED	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@H](C#N)c1cnc2ccccc2n1	435772797	RGJABAFUDZPIBQ-CYBMUJFWSA-N	423.259	5.390	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(CCc1ccccn1)Cc1ccncc1	436407996	GFJMURBRJVESEJ-UHFFFAOYSA-N	414.553	5.605	30	20	HKED	
Cc1cccc([C@@H]2CCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C	438044711	NKQVGHKIKJFXDH-JTSKRJEESA-N	407.583	6.314	30	20	HKED	
COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1	438664066	KMTDFNGEYVMANC-INIZCTEOSA-N	419.456	5.723	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccccc1	439308873	AKWCDYUWVJBJIK-IBGZPJMESA-N	412.465	5.179	30	20	HKED	
Cc1occc1C(=O)Nc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1F	439311677	FLZZWFSQVNYEOM-HXUWFJFHSA-N	420.444	5.146	30	20	HKED	
CCSc1cccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1	439387753	ZGFDVPAMOGBOGV-UHFFFAOYSA-N	417.490	5.040	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccccc1	440252336	GAYCBQMFFGDFAO-RXVVDRJESA-N	407.564	5.512	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCC(F)(F)F)cc1	440289117	DQDUOWHSAOMIGH-UHFFFAOYSA-N	403.448	5.743	30	20	HKED	
C=CCC[C@H](NC(=O)N1CC[C@@H](CN(C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1	442292517	MXWZYOHFBNODNI-RXVVDRJESA-N	423.523	5.086	30	20	HKED	
C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1	460213104	DABIWRQZLLQZNS-IBGZPJMESA-N	411.505	5.012	30	20	HKED	
C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1cccc(C)c1	460957562	LCJUYOMHDMNFQZ-OAQYLSRUSA-N	418.541	5.188	30	20	HKED	
CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1	461293033	MVGPPRZBAFUJKY-LJQANCHMSA-N	423.611	5.039	30	20	HKED	
C=CCOc1ccc(CNc2ccc(CCn3cc(Br)cn3)cc2)cc1	462763814	PIGNZCJBZDUZGP-UHFFFAOYSA-N	412.331	5.065	30	20	HKED	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	464936349	BJUMQULPNFOILV-RTWAWAEBSA-N	419.912	5.226	30	20	HKED	
CC(C)(c1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1)C(F)(F)F	468520121	YQEMZXNPVQGVKC-UHFFFAOYSA-N	409.292	5.483	30	20	HKED	
CCn1c(S[C@H](C)CCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12	470452574	PPRCTBXVVPPTFS-QGZVFWFLSA-N	413.550	5.965	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1	475559114	CGQHQNXLANUPRC-IBGZPJMESA-N	411.590	5.041	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2	475561075	XJHKCFOBFXMAOE-NRFANRHFSA-N	406.526	5.679	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1	476121328	GLRKGFPPZWIJRY-UHFFFAOYSA-N	406.505	5.634	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	477442122	HEPUKOMJFCBUKQ-XLIONFOSSA-N	423.488	5.309	30	20	HKED	
C=C(C)[C@H](NCc1ccc(OC)c(OCc2cccnc2)c1)c1ccc(F)c(F)c1	479385972	CXCUPXFDQRLUJQ-DEOSSOPVSA-N	410.464	5.354	30	20	HKED	
C[C@@H](NCc1ccc(C#N)cc1Br)c1ccc(OCC2CC2)c(F)c1	481239202	OVWDETKOVAGZJI-CYBMUJFWSA-N	403.295	5.099	30	20	HKED	
N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F	481994883	YMRGQEYJMMQYEL-FQEVSTJZSA-N	413.443	5.279	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)s2)cc1	482634492	KWWJMCGKHUIYCD-SFHVURJKSA-N	415.440	5.280	30	20	HKED	
C=CCSc1ccccc1C(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl	485748755	CXVBXWCSXRGYSJ-UHFFFAOYSA-N	423.365	5.372	30	20	HKED	
C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(-c4cccs4)no3)o2)cc1	489799162	CSGNCWQYOSTQHE-LBPRGKRZSA-N	412.496	5.266	30	20	HKED	
CCc1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1	497888796	KHGLZVDQATXUGB-LBPRGKRZSA-N	422.362	5.934	30	20	HKED	
N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)c1ccc(Br)cc1	499402926	BWQYJOXYBUMKAN-DZKIICNBSA-N	424.125	5.240	30	20	HKED	
COCC1(C#N)CCN(C(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)CC1	500889142	LCMSRXDWWKQMCC-OAHLLOKOSA-N	417.962	5.091	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)Nc3cccc(OCCCC#N)c3)cc2)n1	502612070	CPPYBGJLTIWRHJ-UHFFFAOYSA-N	424.551	5.929	30	20	HKED	
O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N[C@H](C1CC1)C(F)(F)F	502680034	PXHVDTFGYCXGGP-NWDGAFQWSA-N	422.291	5.339	30	20	HKED	
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1C(C)(C)C#N	502757317	WVGOOPUFALFOGV-UHFFFAOYSA-N	408.933	5.602	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1	505681382	ZMDANWOYCLEFTA-UHFFFAOYSA-N	417.446	5.328	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1	505755140	CJLBGUBVZUODKE-INIZCTEOSA-N	418.305	5.371	30	20	HKED	
CC(C)[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1	508225713	ZSKFWZZQMHYUKB-QFIPXVFZSA-N	411.933	5.162	30	20	HKED	
COc1cc2c(cc1F)CC[C@H]2NCc1cccc(OCc2cccc(C#N)c2)c1	509414188	GOMZYQBFIZJFEC-XMMPIXPASA-N	402.469	5.062	30	20	HKED	
N#Cc1cc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)ccc1OCC(F)(F)F	510339345	HAJMIVNHFVJEBO-QGZVFWFLSA-N	423.822	5.522	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccco3)C3CCCC3)s2)cc1	510615850	OPZLRCQCGAEKFM-UHFFFAOYSA-N	406.511	5.175	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nnc(-c2c(Cl)cccc2Cl)o1	512531748	IJCGIDCGCJOJES-UHFFFAOYSA-N	420.344	5.399	30	20	HKED	
COc1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(OC)cc1Cl	513384293	NXLMCGVGHQCIAL-UHFFFAOYSA-N	422.868	5.060	30	20	HKED	
CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H](C)c1ccc(C#N)cc1	513486692	WSIVMTOIAUYJPI-LJQANCHMSA-N	409.489	5.232	30	20	HKED	
CCOc1c(Br)cc(Cl)cc1NC(=O)N(C)Cc1ccc(C#N)cc1	515388976	WDLINEJMNFRKQS-UHFFFAOYSA-N	422.710	5.037	30	20	HKED	
N#C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	517605599	MROJOTBDNFOQIO-MRXNPFEDSA-N	401.215	5.326	30	20	HKED	
COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1	519064389	ZWZFRKDIZYTIMD-ROUUACIJSA-N	415.493	5.037	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1	520679065	KTQGTGFOFLDSCV-NRFANRHFSA-N	408.910	5.692	30	20	HKED	
C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(C)=C(c2ccco2)C1	521118500	YCDUOBGXCFBPGL-UHFFFAOYSA-N	422.554	5.042	30	20	HKED	
CN(C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)C1(C#N)CCC1	521384849	JZSCLBPXWJAJRY-UHFFFAOYSA-N	405.350	5.804	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl	522171840	AWALJWGXLRPNPO-STQMWFEESA-N	409.338	5.651	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H]2CN2CCCCC2)c1	522632867	WDLPVGSNMKESBF-NRFANRHFSA-N	423.944	5.094	30	20	HKED	
Cc1ccccc1-c1nc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cs1	524290410	LMAPQZKCBAECSQ-UHFFFAOYSA-N	402.504	5.366	30	20	HKED	
CCSc1ccc(Cl)cc1NC(=O)CCCOc1ccc(C#N)cc1OC	524553159	FYHYBKIDSGNXBK-UHFFFAOYSA-N	404.919	5.130	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1Cl	524707286	HQAZWSISEXZWPN-NRFANRHFSA-N	420.871	5.736	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N[C@H](COCc2ccccc2)c2ccccc2)cc1	524929370	QZEKJGSGHIYCPH-XMMPIXPASA-N	413.521	5.567	30	20	HKED	
CC(C)(C#N)CCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1	525190356	PRQGXVNTOBLJJE-UHFFFAOYSA-N	421.353	5.925	30	20	HKED	
N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1	539755621	YODMAMRYTBSVCO-BWKNWUBXSA-N	412.489	5.248	30	20	HKED	
Cc1ccc([C@@H](NCCCC2(C#N)CCOCC2)c2ccc(F)cc2Cl)cc1	540809465	JBNQVGAWZGUVBD-JOCHJYFZSA-N	400.925	5.567	30	20	HKED	
C[C@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1ccc(-c2cccc(C#N)c2)cc1	541157498	SCYDYWWUJMSVEV-JTSKRJEESA-N	417.534	5.131	30	20	HKED	
CC[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)s1	541627234	OZCDPWVBLQASRE-UONOGXRCSA-N	407.992	5.333	30	20	HKED	
C[C@@H](NC(=O)c1cc2c(nc1O)CCCCC2)c1ccc(-c2cccc(C#N)c2)cc1	543917464	COPMMRLOTZMGAC-QGZVFWFLSA-N	411.505	5.086	30	20	HKED	
Cc1c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)sc2ccc(C#N)cc12	555709247	KMFBALHLIXRDBO-INIZCTEOSA-N	417.559	5.711	30	20	HKED	
FC(F)(F)Oc1ccc([C@@H](NCc2ccc(C(F)(F)F)cn2)C(F)(F)F)cc1	556501624	XHDMSSFKTSZXCA-CYBMUJFWSA-N	418.259	5.392	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1	557727843	KQVAPABTZHFNLG-AWEZNQCLSA-N	408.502	5.291	30	20	HKED	
COc1ccc([C@H](C)NCc2ccc(C#N)cc2C(F)(F)F)cc1Br	570370298	KYAYVEIQGVJJAU-NSHDSACASA-N	413.237	5.199	30	20	HKED	
N#Cc1ccc(-c2csc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)n2)cc1	574938404	ZMDKTTFKODGGJN-UHFFFAOYSA-N	424.485	5.186	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4oc(O)nc4c3)cc2Cl)cc1	579094017	LCFPEAQNHXFKCC-UHFFFAOYSA-N	405.797	5.103	30	20	HKED	
C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCc1ccc(C#N)c(Cl)c1	588192513	VTNOSNKZBUPEOO-ZDUSSCGKSA-N	409.839	5.003	30	20	HKED	
CCc1cccc2c(C(=O)[C@H](NCc3ccc(C#N)cc3F)c3ccccc3)c[nH]c12	591820000	RMHDWFVIINWLFD-RUZDIDTESA-N	411.480	5.455	30	20	HKED	
Cc1ccc(C)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1	603757512	ODZOHWDUIGRSSK-UHFFFAOYSA-N	415.440	5.494	30	20	HKED	
C=CCN(C(=O)c1sc2cccc(C)c2c1Cl)c1nc(C(=O)OCC)cs1	604534099	XEMMDSXIRWKUAQ-UHFFFAOYSA-N	420.943	5.329	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc(-c2ccccc2Cl)s1	609428243	GXSLBLAOIPYRFI-ZDUSSCGKSA-N	413.955	6.110	30	20	HKED	
CCN(CC)Cc1ccccc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N	609434890	YJHATQIZJVDMLC-SFHVURJKSA-N	410.587	5.244	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	609437306	ZUQJBDFWDLPDNB-PZJWPPBQSA-N	422.598	5.115	30	20	HKED	
N#Cc1ccc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F	609448914	KBSUTGWVMKMFMY-IAZYJMLFSA-N	404.276	5.898	30	20	HKED	
N#Cc1ccc(-c2ccccc2)nc1SCc1nc(O)c2ccc(Cl)cc2n1	609620542	FPUUFFYRIKNVJB-UHFFFAOYSA-N	404.882	5.215	30	20	HKED	
CCOc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C	609652157	YCXBEMUQKUFLSF-UHFFFAOYSA-N	416.403	5.159	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)c3cc4cc(F)ccc4o3)cc2F)c1	609785195	PNBUMPZHLZRJLS-UHFFFAOYSA-N	404.372	5.414	30	20	HKED	
C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	610017283	NXPRHHNZSCCZJI-INIZCTEOSA-N	401.441	5.641	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C[C@@H]4CCOC4)C3)cc2)c1	611357881	AQQZGWOZTURBGR-UXHICEINSA-N	405.498	5.021	30	20	HKED	
N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccccc2n1C(F)F	613401520	AWWKYYRDHANTMI-GOSISDBHSA-N	403.388	5.714	30	20	HKED	
N#Cc1ccc(CNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1Cl	619767531	KUPLMWPEVMZITC-UHFFFAOYSA-N	423.847	5.089	30	20	HKED	
CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	619803990	QJVACPVWEUDBOC-UHFFFAOYSA-N	411.933	5.584	30	20	HKED	
CSc1ccc([C@H](C)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	675737117	AAZLYSJYQIQBHT-DLOVCJGASA-N	403.407	6.108	30	20	HKED	
C#Cc1cccc(N(C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C(C)C)c1	728247061	QPVNSLCOJPWYKD-UHFFFAOYSA-N	402.441	5.660	30	20	HKED	
Cc1nc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)sc1SCC#N	729947180	NKUWLEHSTYWOQC-UHFFFAOYSA-N	401.463	5.265	30	20	HKED	
CC(C)c1nn(C)c(Cl)c1C=NNc1ccc(Br)cc1C(F)(F)F	731486736	CAUYBKOLYVVTIJ-UHFFFAOYSA-N	423.664	5.424	30	20	HKED	
CCCc1ccc(-c2nc(NC(=O)Cc3ccc(OCC#N)cc3)sc2C)cc1	731962593	QETYAINYVWJBJY-UHFFFAOYSA-N	405.523	5.155	30	20	HKED	
C=CCN(CC1CCCCC1)Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S	732670451	KECGKQMZIZSBSD-UHFFFAOYSA-N	423.586	5.143	30	20	HKED	
CC(C)c1ccc(-c2nc(CC(=O)OCc3ccc(OCC#N)cc3)cs2)cc1	733378870	WFOGSUGPJFPAPM-UHFFFAOYSA-N	406.507	5.122	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)ccc1OC	733656065	GVYYYVHJOYCZMT-FGZHOGPDSA-N	421.541	5.040	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2cccc3ccccc23)c1	733805412	BMBKHVNPDUUNKU-OFVILXPXSA-N	413.521	5.567	30	20	HKED	
Cc1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	735165297	GAYFKSDLDQYLMZ-UHFFFAOYSA-N	420.852	5.108	30	20	HKED	
CC[C@@H](C)Oc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC	740014809	VGZMIAAKVXDEDS-QGZVFWFLSA-N	406.551	5.762	30	20	HKED	
Cc1nc(C(C)(C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)sc1C	740484481	MXWUQNAZCNAOIC-UHFFFAOYSA-N	410.568	5.095	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)N[C@H]1CCc2ccccc2C1	742987575	DEHXAVMXZBWEIS-NRFANRHFSA-N	413.546	5.503	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)cc1	743093250	PUOCKRBGRKHQDD-RUZDIDTESA-N	421.504	5.299	30	20	HKED	
Cc1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	744034447	CJOHPZWBTDMUOB-RISCZKNCSA-N	405.306	5.998	30	20	HKED	
O=C(Nc1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1)OCC(F)(F)F	744364126	MPUZZXKTXVLIRG-UHFFFAOYSA-N	424.272	5.208	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc2c(c1)CCC2	745724486	RQCOCXZYOGZVQP-UHFFFAOYSA-N	415.537	5.898	30	20	HKED	
CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1	746142220	NZLKOKITQUUXJC-GCJKJVERSA-N	421.541	5.124	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C3CCCCC3)CC2)cc1	746807005	LPVJRKPDEMLTSV-VWLOTQADSA-N	416.569	5.261	30	20	HKED	
COc1ccc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)cc1OCCCC#N	747361636	TXMYMDVHLRIQDX-ZSOIEALJSA-N	418.276	5.343	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)C2c3ccccc3-c3ccccc32)c1	747958302	ZERZDPOCWVZJIP-IBGZPJMESA-N	411.505	5.279	30	20	HKED	
CCOc1c(Cl)cc(C=NO[C@H](C)c2ncc(-c3ccccc3)o2)cc1OC	748097627	NHIXPQXMQWVWNH-CQSZACIVSA-N	400.862	5.514	30	20	HKED	
O=C(c1cccc(N=Cc2cc(Br)ccc2O)c1)N1CCc2ccccc21	748147095	DLCNHTAIIRRILH-UHFFFAOYSA-N	421.294	5.108	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc1Cl	752997480	CKIMHBKCZJPPBU-KRWDZBQOSA-N	407.260	5.168	30	20	HKED	
O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCc2nc(-c3ccccc3)sc21	753141874	JUPVUAWWLROPEV-VBKFSLOCSA-N	401.516	5.541	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C/c3ccc(Cl)c(C(F)(F)F)c3)cc2N1	758024641	HTOMKOUIYXTKFZ-DUXPYHPUSA-N	403.834	5.361	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Oc3cc(C)c(C)cc3C2=O)cs1	759116647	DDFYGUWWTIDLHH-SRZZPIQSSA-N	404.491	5.369	30	20	HKED	
C/C(=C/c1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	759214551	YLUJIUILWTYQRG-QARUFBMTSA-N	407.684	5.398	30	20	HKED	
O=C(CCCc1ccc(F)c(F)c1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	764749589	IWGHFEKFRFSVDR-UHFFFAOYSA-N	414.239	5.002	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1	768462245	PPRROSUTXRYYDT-UHFFFAOYSA-N	417.490	5.185	30	20	HKED	
C[C@H](C#N)Oc1ccc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1	770576919	QLJLFPKGQNHXRY-XBBWARJSSA-N	404.535	5.038	30	20	HKED	
O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ncccc1C(F)(F)F	770740621	VMVRMONLQMOJQB-LBPRGKRZSA-N	417.227	5.580	30	20	HKED	
CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	772269817	MUMZGGZSEBDLCZ-UHFFFAOYSA-N	419.403	5.105	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c(F)c1	772798009	RUFGHYIUDKBQSU-RIYZIHGNSA-N	419.268	5.191	30	20	HKED	
N#CCOc1ccc(CN[C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)cc1	772957597	AISFBLKIEOMNNG-LJQANCHMSA-N	409.942	5.533	30	20	HKED	
COCCc1nc(C)c([C@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)s1	773915412	SLJUQNWSDAUGQV-INIZCTEOSA-N	422.506	5.222	30	20	HKED	
CC(=O)Nc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1	781551956	PBKJNEVRJSXNKH-OUKQBFOZSA-N	407.901	5.056	30	20	HKED	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCCCC(C)(C)C#N)cc1	781863447	UBJYXLXXQKJKHM-UHFFFAOYSA-N	410.539	5.213	30	20	HKED	
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)c1	796746838	PDDLLOJHPVKRRB-QGZVFWFLSA-N	424.909	5.428	30	20	HKED	
COc1ccc(-c2csc3ncnc(NN=C(C)c4coc(C(C)C)n4)c23)cc1	799471422	HUFIHZZBIZIQLS-UHFFFAOYSA-N	407.499	5.314	30	20	HKED	
C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1csc(C)n1	804453399	XPCQIFMFWLFPEQ-IBGZPJMESA-N	406.576	5.108	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806263832	ZJZMNSPDQXBSCF-LLVKDONJSA-N	410.326	5.272	30	20	HKED	
CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2ccc(C(F)(F)F)s2)no1	904967687	PFFSFZONQJAFRK-SNVBAGLBSA-N	416.425	5.077	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1sccc1Br	915048748	JYIKBWKAEBMMCK-UHFFFAOYSA-N	415.238	5.309	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1sc(C(C)(C)C)nc1C	915111344	HDZKHQLBMLKELQ-UHFFFAOYSA-N	407.465	5.547	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1	916949314	NVCUZJJQKYJUMS-ZHRRBRCNSA-N	404.510	5.127	30	20	HKED	
CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	918155831	JTRIACQDTIVZLH-QBFSEMIESA-N	419.437	5.281	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	919825362	GIAVAVLWTKOVOL-DEOSSOPVSA-N	423.472	5.253	30	20	HKED	
CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O	1629455334	UJYCQDKUHAWDQE-UHFFFAOYSA-N	406.873	5.053	30	20	HKED	
C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCCO3)cc2)CCC1	1786643200	QFCVCRFWXOFRPH-NRFANRHFSA-N	412.574	5.072	30	20	HKED	
N#CCCN(C(=O)CSC1=Nc2ccccc2CS1)c1cccc(Cl)c1	5325593	MQEMEXJNWAIXBB-UHFFFAOYSA-N	401.944	5.254	30	20	HKED	
N#CCCSc1nc2scc(-c3ccccc3)c2c(=O)n1CCc1ccccc1	7237801	YNTFSYQDJAUNEQ-UHFFFAOYSA-N	417.559	5.373	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1cccs1	10303580	BMCOLHPDXFNESO-ZDUSSCGKSA-N	416.597	5.034	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1OC	11073814	WCUYHZLEXLNSRU-PKNBQFBNSA-N	414.505	5.070	30	20	HKED	
C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)Nc1ccccc1C#N	12424634	LLQKMDKDAXXDML-AWEZNQCLSA-N	416.531	5.349	30	20	HKED	
CC(C)(C)c1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2C2CCCCC2)cc1	15235927	MSRNXPSCARPLPM-SFHVURJKSA-N	421.614	6.283	30	20	HKED	
COc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	18260248	YSDHNOUXMXOVFV-UHFFFAOYSA-N	421.522	5.212	30	20	HKED	
Cc1c(C#N)c(NC(=O)CSCc2ccc(Cl)cc2)n(Cc2ccco2)c1C	18708973	FYZAURBDYZCHMA-UHFFFAOYSA-N	413.930	5.143	30	20	HKED	
Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2cccc(C)c2)c1	22729742	NGXBWIFVWCWFKR-UHFFFAOYSA-O	403.571	5.567	30	20	HKED	
CCOc1ccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	26660853	XTLPFSAIDNZNMO-QGZVFWFLSA-N	402.519	5.599	30	20	HKED	
Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cs1	48855877	LZMUJEYALDRWFX-LJQANCHMSA-N	415.543	5.782	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2sccc2[C@H]1C	56800280	CHWSKXDTSBSVQE-MRXNPFEDSA-N	403.507	5.872	30	20	HKED	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2csc(-c3ccccc3)n2)cc1	97513332	AHZOZZODBLCFPH-FMIVXFBMSA-N	401.491	5.019	30	20	HKED	
C=CCN(C(=O)[C@@H](C)Oc1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1	109322157	CTESCWVLJLLHSZ-CQSZACIVSA-N	400.450	5.075	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccccc2F)o1	117217713	PRIFQRAODRFNNB-UHFFFAOYSA-N	413.408	5.705	30	20	HKED	
N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2n1	147960528	MDZQOQOTUCOPDC-MRXNPFEDSA-N	407.260	5.217	30	20	HKED	
COc1ccccc1-c1n[nH]c(=S)n1N=Cc1c2ccccc2cc2ccccc12	254317115	GMGRBNKNWAMBAZ-UHFFFAOYSA-N	410.502	5.805	30	20	HKED	
CC(C)(C)c1nc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1	303096745	ARIBVCWPTYATAO-IBGZPJMESA-N	423.969	5.931	30	20	HKED	
Cc1ccc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C(F)(F)F	303344730	MIBWYKHIRQNUIT-CYBMUJFWSA-N	414.474	5.209	30	20	HKED	
Cc1c(C(=O)Nc2cccc(COCc3ccco3)c2)sc2ccc(C#N)cc12	428138898	DDPISMBSKGGWGT-UHFFFAOYSA-N	402.475	5.644	30	20	HKED	
N#CCCn1ncc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1-c1ccccc1	429091123	DJVRUCJIIJIAMU-UHFFFAOYSA-N	418.806	5.388	30	20	HKED	
Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1	429448597	JIAGRLREPKKOPP-OAQYLSRUSA-N	404.495	5.485	30	20	HKED	
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)s3)nc12	429558288	DTYPIJALJVPQIC-LBPRGKRZSA-N	415.503	5.095	30	20	HKED	
Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C	431367305	BVLQODIUXSQOSM-KKSFZXQISA-N	423.582	5.089	30	20	HKED	
N#CCCC[C@H](NC(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1	433288717	RWRBFOKCFDEQFA-KRWDZBQOSA-N	406.711	5.659	30	20	HKED	
C=CCC[C@H](NC(=O)CSc1nnc(-c2ccccc2C)n1CC)c1ccccc1	435292060	XKFCMSIDEZRKNU-NRFANRHFSA-N	420.582	5.189	30	20	HKED	
Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C	439850963	KMNPBOSSOSLUQK-HOTGVXAUSA-N	409.917	5.176	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)Cc1ncc(-c2cccc(Br)c2)o1	441287643	QWGMKYJNKJJLMH-UHFFFAOYSA-N	408.299	5.164	30	20	HKED	
CCn1ncc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c(C)nc21	442508183	CQWYYMWKZNHNEM-KRWDZBQOSA-N	421.913	5.027	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1	460374163	JQNYJDIBRPTFFJ-OAQYLSRUSA-N	421.010	5.195	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c1	464426133	MBJDGSAOEUZCIM-UHFFFAOYSA-N	410.395	5.494	30	20	HKED	
CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c12	464467801	LQGFEMFCYGEATG-CQSZACIVSA-N	414.387	5.127	30	20	HKED	
Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	465855002	NEMQSCPWSVJEPP-LEWJYISDSA-N	416.550	5.100	30	20	HKED	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(C#N)cc1	468875711	GCZRLDXMFHNSIL-WBVHZDCISA-N	404.539	5.454	30	20	HKED	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccccc1S[C@H](C)CC#N	469009473	PLDPVLDSTDEBTG-CQSZACIVSA-N	412.465	5.106	30	20	HKED	
CN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCC(C(C)(C)C)CC1	470531470	KSJJAIIFLQLYDW-UHFFFAOYSA-N	424.589	5.338	30	20	HKED	
CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	470775782	ZNQQGAJFEBGRIR-QHCPKHFHSA-N	421.566	5.025	30	20	HKED	
CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc2cc[nH]c2c1	473573948	YOVPSAKJCCCHAR-UHFFFAOYSA-N	401.853	5.762	30	20	HKED	
CC1(C)CN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[C@@H]1C(F)(F)F	479735527	UQZFPSHYTYOYCM-KBPBESRZSA-N	414.365	5.439	30	20	HKED	
N#CCCN(CC(F)(F)F)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1	479884361	HZTUEHNEVCFBCL-UHFFFAOYSA-N	417.218	5.050	30	20	HKED	
Cc1nc(-c2ccc([C@@H](C)NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)cs1	480115596	XCOOLBGCKOSYPX-OAHLLOKOSA-N	405.523	5.025	30	20	HKED	
CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	481152040	FROSUYGPBOFBPS-HSZRJFAPSA-N	418.468	5.267	30	20	HKED	
C=C(C)[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c(F)c1	481573474	QEUQISPRQSGXFR-QRQCRPRQSA-N	415.509	5.062	30	20	HKED	
C=C(C)[C@@H](NC(=O)N(Cc1ccccc1)CC1CCOCC1)c1ccc(F)c(F)c1	483308151	YAVUEXHWXIVBEJ-HSZRJFAPSA-N	414.496	5.220	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C	486259061	XDAKAULQWSQJSY-UHFFFAOYSA-N	402.519	5.778	30	20	HKED	
C[C@@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)c(Br)c1	487311028	BGHICTWUZFFMLH-YWZLYKJASA-N	417.322	5.633	30	20	HKED	
CCOc1ccc(-c2nc(CNc3ccccc3SC[C@H](C)C#N)cs2)cc1	487382108	UKCRDSFRJLCXNN-MRXNPFEDSA-N	409.580	6.073	30	20	HKED	
Cc1ccc(C(=O)CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1	487994218	RHDHWYQATDOPAK-UHFFFAOYSA-N	420.509	5.259	30	20	HKED	
Cc1ccc(-c2nnc([C@H](C)Sc3nc(C(F)(F)F)ccc3C#N)o2)cc1C	488779618	DFLSQVMBXPVANJ-LBPRGKRZSA-N	404.417	5.492	30	20	HKED	
C=CCC[C@H](C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccccc1	490086992	DGDHMZGROGHBSG-QHCPKHFHSA-N	414.553	5.284	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C	495443749	FAAUSWQHWNAJII-GOSISDBHSA-N	424.545	5.376	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)CN1Cc1ccccc1	499896908	SFRNTABJPRBKMQ-HSALFYBXSA-N	422.598	5.065	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1	500308624	ZJFZYHLZVOPFMI-LEWJYISDSA-N	411.343	5.109	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(Cl)cc3)c2)cc1	501446697	CLZYPDGXORMEBI-UHFFFAOYSA-N	406.869	5.003	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C(=O)Nc2ccccc2CCC=C)O1	504288950	IRCRFHZYJDLKMM-ZEQRLZLVSA-N	418.537	5.049	30	20	HKED	
C[C@H]1C[C@@H]1c1ccc(CN(Cc2cn(CCC#N)nc2-c2ccccc2)C2CC2)o1	506541674	QYYUQDLSECJKDD-MBSDFSHPSA-N	400.526	5.345	30	20	HKED	
Cn1c(SC[C@H](C#N)CCC#N)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	508484771	BGAHWJRNVGELJW-GOEBONIOSA-N	413.616	5.230	30	20	HKED	
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1	510645481	DZOFORSECGPANL-UHFFFAOYSA-N	413.452	5.811	30	20	HKED	
N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@](F)(c4cccc(Cl)c4)C3)o2)cc1	512423759	KBWIUDZQFJOGIH-QHCPKHFHSA-N	424.859	5.095	30	20	HKED	
N#C[C@@H](C(=O)c1cc2c(s1)CCCCC2)c1nc(O)c2c3c(sc2n1)CCCC3	513687667	XLSSPZWOPITFAG-AWEZNQCLSA-N	423.563	5.096	30	20	HKED	
C[C@H](NC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1ccc(C#N)cc1	517977304	WJWGEYYQIHWPEH-IRXDYDNUSA-N	403.457	5.611	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2c(OC(F)F)cccc2[nH]1	518660806	BMHQFEFJFRXUFK-LBPRGKRZSA-N	401.438	5.273	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)CC1	518724030	ZWRYNXQGTKWLHJ-UHFFFAOYSA-N	416.616	5.073	30	20	HKED	
Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1Cc1ccccn1	519426444	RCOFGHFLJGNAJW-MRXNPFEDSA-N	404.539	5.052	30	20	HKED	
CCCN(Cc1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	520174492	LPXXYBBPFASHBN-UHFFFAOYSA-N	408.502	5.189	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccccc1C(F)(F)F	520854117	DNCQLONPEOKRJB-CQSZACIVSA-N	407.461	5.321	30	20	HKED	
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1ccsc1)c1ccccc1	523124233	AXOKQRCNVWGTPZ-UHFFFAOYSA-N	422.453	5.034	30	20	HKED	
Cc1noc2ncc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc12	523972837	XHUMRYHMQRDCRZ-UHFFFAOYSA-N	404.813	5.101	30	20	HKED	
CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	524131181	HBROXCGLBCVUIV-QHCPKHFHSA-N	400.482	5.669	30	20	HKED	
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1	524252492	NLHIPNRDPKVNIA-UHFFFAOYSA-N	405.420	5.252	30	20	HKED	
Cc1ccccc1CN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CC1	524304781	LUBRTLJQHFZAJH-UHFFFAOYSA-N	403.404	5.004	30	20	HKED	
N#Cc1ccc(Cc2cnc(NC(=O)Nc3ccccc3OCC3CC3)s2)cc1	524927318	RICVAQVJVFQRMA-UHFFFAOYSA-N	404.495	5.038	30	20	HKED	
N#CCc1ccnc(NC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)c1	531924453	AIUAGTHLHMBKQL-FQEVSTJZSA-N	412.276	5.213	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cc(Cl)cc(Cl)c1	533240835	GNHRRNUKONKODC-AWEZNQCLSA-N	422.381	5.458	30	20	HKED	
C=C(C)[C@H](CC(=O)Nc1c(C)cccc1-c1nc2cc(F)ccc2n1C(C)C)OCC	533763254	YCJICLJCNGOHJX-QFIPXVFZSA-N	423.532	6.042	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(F)cc2F)CCC1	534233377	CGOXHMGTKPXXIR-CQSZACIVSA-N	401.482	5.417	30	20	HKED	
N#C[C@@H](C(=O)c1csc([C@@H]2CCCO2)n1)c1nc(-c2ccc(Cl)cc2)cs1	534468104	NNFRXKZYRGFNBR-BBRMVZONSA-N	415.927	5.262	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1Cl	534874313	ZKYJJLKJZCGYCM-HXUWFJFHSA-N	403.869	5.376	30	20	HKED	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cnc([C@H]4CCCO4)s3)c2C#N)C1	535476962	YVHMJNFLSAPAOM-SWLSCSKDSA-N	415.584	5.331	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N[C@H](CCCO)c2ccccc2)cc1Cl	535613499	QGHAHRLCYPHLAG-OAQYLSRUSA-N	420.896	5.248	30	20	HKED	
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(C)ccc2SC2CCCC2)n1	537381614	IDWPICBQHUGCEG-INIZCTEOSA-N	414.552	5.153	30	20	HKED	
CCC[C@@H](C#N)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1	537724801	HGTIKALGXNSDCQ-FSEPTYSPSA-N	405.523	5.044	30	20	HKED	
C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1	540314378	NQAQIZCDOJSUBK-GOSISDBHSA-N	410.521	5.360	30	20	HKED	
CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cnc21	541998947	QHFPSMRJHPBHNH-KRWDZBQOSA-N	409.493	5.042	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NCc3ccccc3C(C)(C)C#N)s2)cc1	542569009	LZDMXODEDAMBDB-INIZCTEOSA-N	405.567	5.779	30	20	HKED	
C=CCN(C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1nc2c(s1)CCCC2	544276796	CDYAZLZSVGLOFI-SFHVURJKSA-N	424.614	5.048	30	20	HKED	
Cc1nc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(-c2ccccc2)o1	544717310	SRHATUCITNRQRU-UHFFFAOYSA-N	423.472	5.547	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1ccc(Br)cc1)c1ccncn1	545446386	IAYUIYPKSDYILR-KRWDZBQOSA-N	424.323	5.021	30	20	HKED	
CN(Cc1ccc(C#N)cc1)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cccs1	549576984	CTMCDOVVVUBUPQ-UHFFFAOYSA-N	424.533	5.044	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1cc(Cl)ccc1Br	553450368	AEBQMXWMXXXDMY-UHFFFAOYSA-N	424.770	5.027	30	20	HKED	
C=CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1	569275151	AFJYKWRUYHEUIA-KXBFYZLASA-N	413.447	5.132	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C	571916634	BNFRWQJQGOOWAN-OSPHWJPCSA-N	413.477	5.089	30	20	HKED	
N#Cc1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c(C(F)(F)F)c1	589498513	VULFAECWGPYMRQ-UHFFFAOYSA-N	412.415	5.007	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3cccs3)cc2Cl)c1	590236941	KTWTXHAJZNDNDP-UHFFFAOYSA-N	424.909	5.454	30	20	HKED	
O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1cccc(C#Cc2cccs2)c1	603437981	STSMJXQYILZMKJ-UHFFFAOYSA-N	402.450	5.123	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1Cc2ccccc2S1	603533188	RWLHYSIPLZBTAL-QHCPKHFHSA-N	402.494	5.256	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Oc1ccccc1F	603533211	SYAXBGTWINKXCG-QGZVFWFLSA-N	406.432	5.146	30	20	HKED	
CCn1nc(C(C)C)cc1C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C	603569282	FTKLMDXLLBOEIS-UHFFFAOYSA-N	404.489	5.193	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2nc3ccccc3s2)n1	603722707	RRJDGNGBPONCCS-SNVBAGLBSA-N	422.457	5.010	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	604101040	YJPOGEHOMPDLDP-UHFFFAOYSA-N	422.488	5.666	30	20	HKED	
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1(c2ccc(Br)cc2)CC1	604490875	PUCYBBWETOKWSO-UHFFFAOYSA-N	411.343	5.037	30	20	HKED	
O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	607305811	RWAZFJLVGKGSRP-RYUDHWBXSA-N	407.285	5.485	30	20	HKED	
N#CCSc1ccccc1NC(=O)CNc1ccc(CCCc2ccccc2)cc1	608832017	QGGXUZBUSSUIIK-UHFFFAOYSA-N	415.562	5.528	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(-c2ccccn2)s1	609011709	BUHBLTOBCYAWOS-UHFFFAOYSA-N	412.474	5.430	30	20	HKED	
CC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	609644196	QOJPHDQLZVQQJM-UHFFFAOYSA-N	404.432	5.188	30	20	HKED	
CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	609991116	BSMZULMEPXSPRS-UHFFFAOYSA-N	413.481	5.084	30	20	HKED	
CC[C@@H](SCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1	610009218	WSUDEDNLYRJZPK-HNAYVOBHSA-N	402.560	5.900	30	20	HKED	
CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(-c2ccccc2)cc1	610296555	CRGUSGQKKAXATP-UHFFFAOYSA-N	411.505	5.043	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)c1cccc(O)c1	610320051	OUBWERPVEUXGQP-INIZCTEOSA-N	402.454	5.066	30	20	HKED	
COCCOc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	611183904	BYXSRTGEIBTLCN-UHFFFAOYSA-N	422.868	5.281	30	20	HKED	
C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1N(C)C	675738572	PVHTVUSGXIKCQN-SRVKXCTJSA-N	400.382	5.452	30	20	HKED	
N#CCCCOc1cccc(/C=C(\Cl)c2nc(O)c3cc(Cl)ccc3n2)c1	726743457	IPYKLQJRIDGXNC-BOPFTXTBSA-N	400.265	5.408	30	20	HKED	
N#Cc1ccc(SCC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1	728468303	DYIYOGSDGQRYAP-AWEZNQCLSA-N	423.390	5.575	30	20	HKED	
N#Cc1ccc(SCC(=O)OCc2cc(Cl)ccc2OCc2cccnc2)cc1	728676175	IUYANBBQAOHIND-UHFFFAOYSA-N	424.909	5.021	30	20	HKED	
N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1nc2ccccc2o1	730071553	PMFNWZYNECKUEW-KSFYIVLOSA-N	420.440	5.816	30	20	HKED	
COc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC(C)C	731400454	OKOOZVDYKXUGDF-MRXNPFEDSA-N	413.543	5.198	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)c1	733801216	MVNUUCXBHIDWPP-XLIONFOSSA-N	411.571	5.428	30	20	HKED	
N#C[C@@H](C(=O)C[C@@H]1CCOc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	735597148	XOXMSGIXINBULJ-ZFWWWQNUSA-N	410.445	5.221	30	20	HKED	
C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21	741196020	VDJWJQNHTAKMFM-MGPUTAFESA-N	404.491	5.070	30	20	HKED	
N#CCOc1ccccc1C(=O)N(c1cccc(N2CCCC2)c1)C1CCCCCC1	741937589	QYSIKJVQDDVLFQ-UHFFFAOYSA-N	417.553	5.559	30	20	HKED	
C=CCOc1c(Br)cc(/C=C2/CCc3cc(C#N)ccc3C2=O)cc1OC	742437228	SZQXIYNHHRRNGD-YVLHZVERSA-N	424.294	5.107	30	20	HKED	
C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Sc1ccccc1	743092683	AJXNPJWNRWACOH-MBSDFSHPSA-N	401.535	5.644	30	20	HKED	
N#Cc1cc(NC(=O)CCCSc2ccc(Cl)cc2)c(Cl)c([N+](=O)[O-])c1	746479086	AHYYEESZOKNMAP-UHFFFAOYSA-N	410.282	5.284	30	20	HKED	
N#CCSc1ccccc1C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1	749868680	FMPDJIVKTJJRJK-UHFFFAOYSA-N	414.530	5.224	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)s1	750690300	ORPSTFIVFNRMQC-WPRPVWTQSA-N	414.861	6.010	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(C)cc2Cl)ccc1OC	752308307	HJQCDPYPOIEIKC-CQSZACIVSA-N	422.312	5.313	30	20	HKED	
C=C(C)CNC(=S)/C(=C(/O)c1cc(F)c(C)cc1F)[n+]1ccc(C(C)(C)C)cc1	753974169	CHMHQMSFSKLPFC-UHFFFAOYSA-O	417.545	5.235	30	20	HKED	
N#CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1	754137034	LXJSMUVFAJFARH-UHFFFAOYSA-N	411.483	5.032	30	20	HKED	
C=CCn1c(SC[C@@H](O)c2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1	763233290	RPWBQMTWKNESGC-OAQYLSRUSA-N	418.566	5.126	30	20	HKED	
CC(C)(C)c1nc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cs1	766266041	GREGEENINNBFNQ-NRFANRHFSA-N	418.566	5.460	30	20	HKED	
COc1ccc(/C=C\C(=O)c2c[nH]c3ccc(OC)cc23)c(OCc2cccnc2)c1	766492362	WTWXPICYGRQTCH-POHAHGRESA-N	414.461	5.055	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1	766616912	LGGHOMGOVVLFDH-YGRLFVJLSA-N	419.731	5.692	30	20	HKED	
Cc1oc2ccccc2c1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	767955888	HXJRXBPGHGVLDB-OAHLLOKOSA-N	414.408	5.789	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1	772033003	NBXCQVCNNFZOSK-XZOQPEGZSA-N	412.961	5.503	30	20	HKED	
C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1	773430412	YPHQBMRXBKWGMQ-ZUOKHONESA-N	408.851	5.891	30	20	HKED	
CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1nc(-c2ccc(F)cc2)cs1	776306341	NMYNJVZRHNZCMO-UHFFFAOYSA-N	416.861	5.021	30	20	HKED	
C=C(C)[C@@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)c1ccc(F)c(F)c1	776397595	AXIXKGKGSPSOPR-HXUWFJFHSA-N	415.871	5.219	30	20	HKED	
Cc1ccccc1-n1c(C)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c1C	779197651	ZOXDUHRVMZGTQB-SFHVURJKSA-N	405.885	5.017	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COc2cccc(F)c2)c1	780486710	ZUUQUMOIXBTFFM-MRXNPFEDSA-N	405.429	5.340	30	20	HKED	
N#CCC1CCN(Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2=S)CC1	781572424	RXABTEGQZSVZSZ-UHFFFAOYSA-N	423.973	5.307	30	20	HKED	
Cc1cc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(C)s1	783356003	CPDCUAOIYXBHRK-CQSZACIVSA-N	402.928	5.467	30	20	HKED	
C[C@@H](OC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1cccc(C#N)c1	784632102	QHBGJCSXAKCVGL-QGZVFWFLSA-N	400.434	5.225	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	789450297	NBUBZRJQAXWPAF-SFHVURJKSA-N	415.578	5.307	30	20	HKED	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1nccc2ccccc12	792092791	DVLXHVGACRVRNJ-DYVFJYSZSA-N	411.274	5.191	30	20	HKED	
CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(C(F)F)cc2)cc1	794484628	VNKGWIUFEFAKBS-UHFFFAOYSA-N	402.470	5.089	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2ccc(C(F)(F)F)cc2O)ccc1OC	810225444	DJDKEZMPQIZPAQ-FUHWJXTLSA-N	422.447	5.341	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)O[C@@H](c2ccccc2)c2ccccn2)cc1OC	861241369	CVFAUNFQNPCLKI-CDIAOGBUSA-N	401.462	5.001	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1	915085212	IRMPWZBEADCXSV-HSZRJFAPSA-N	405.461	5.128	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1	915086994	ZCOWOSOOKYTQBS-LJQANCHMSA-N	410.395	5.378	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1ccc(C(C)(C)C)cc1	916907326	LXURKWGDIDYTMJ-NRFANRHFSA-N	422.594	5.549	30	20	HKED	
N#C[C@@H](C(=O)[C@H]1CC1(Cl)Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	916996748	PLWTWHIRVYMEMK-VHSXEESVSA-N	406.121	5.487	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(F)c4)CCCC3)n2)cc1	920142957	NPHMANBPOAUHKV-FQEVSTJZSA-N	420.509	5.646	30	20	HKED	
N#C[C@H](C(=O)C1(c2ccccc2)CCCC1)c1nc(-c2c(F)cccc2F)cs1	920806665	NCWGMUZDDBKNQB-MRXNPFEDSA-N	408.473	5.777	30	20	HKED	
C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC1)C(F)(F)F	1790295974	SFHOSLVWOUSIJH-UHFFFAOYSA-N	422.834	5.206	30	20	HKED	
C[C@@H](OC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccccc1C#N	11373398	ZBJPAMYNHWGZME-HFBDAHEESA-N	420.465	5.009	30	20	HKED	
C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccc(C)cc2)nnc1C1CC1	12056018	DTAVQSDNNXGRMP-UHFFFAOYSA-N	420.538	5.173	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1Cl	16095853	TXKQBUDXXHHYAP-OAHLLOKOSA-N	423.346	5.511	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccc2F)on1	57083982	UIBFUUHIXGZRBX-UHFFFAOYSA-N	414.396	5.100	30	20	HKED	
CC(C)n1cc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3cnn(C(C)C)c3)c2)cn1	60212583	IPARAQLRGRCYCI-GFULKKFKSA-N	402.498	5.034	30	20	HKED	
CCCOc1ccc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1OC	65473858	WKOSGGYJKBGTPA-MRXNPFEDSA-N	411.502	5.026	30	20	HKED	
CCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OCC	71951661	IHNPDQJJXNWTOR-CQSZACIVSA-N	400.887	5.237	30	20	HKED	
N#Cc1ccsc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1	302977582	CKISMNYTCDCQEV-UHFFFAOYSA-N	421.909	5.005	30	20	HKED	
N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1	303585888	QJQRCUKPRNHBKL-UHFFFAOYSA-N	400.453	5.081	30	20	HKED	
Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)CO1	304074773	UXQPSYSSPSUCQF-DFBJGRDBSA-N	412.489	5.261	30	20	HKED	
Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)cs1	437465223	ZJTBGLAKZHWHDF-UHFFFAOYSA-N	418.453	5.502	30	20	HKED	
Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	437492094	BQEKIQSGUADJRV-UHFFFAOYSA-N	417.396	5.227	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1	438198190	GLAWGHMDIGBOGL-ZDUSSCGKSA-N	403.404	5.343	30	20	HKED	
CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1	438638708	SHPBTAJSQLVEFJ-IBGZPJMESA-N	402.420	5.012	30	20	HKED	
CC(C)n1ncc2c(C(=O)N[C@H](CCC#N)c3ccccc3)cc(-c3ccco3)nc21	439677741	JYOHASWVLAOTCJ-HXUWFJFHSA-N	413.481	5.047	30	20	HKED	
C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCCN(Cc2ccc(C#N)cc2)CC1	443674504	OAQAVJXOTOZDSH-GOSISDBHSA-N	420.944	5.136	30	20	HKED	
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cn(CCCC#N)c2ccccc12	443946308	JAAQYLIRSFOOKK-UHFFFAOYSA-N	415.415	5.116	30	20	HKED	
N#CCCCn1cc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c2ccccc21	444136145	BUKKHYJEBOBJAQ-UHFFFAOYSA-N	421.928	5.034	30	20	HKED	
Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)[C@H](C)c3cccc(C#N)c3)s2)cc1	462117970	AWEBTRHHYSCBSY-AEFFLSMTSA-N	403.551	5.622	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cc2)c1	462261116	IGNBBDYXPQBYFW-URXFXBBRSA-N	413.477	5.392	30	20	HKED	
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)C2	463484671	NOCLWLGTXWRWJN-RUZDIDTESA-N	412.489	5.005	30	20	HKED	
CC(C)(C)[C@@H](C#N)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2	464714443	UPBBVZUMBRFFCY-NMEFUSJCSA-N	424.429	5.163	30	20	HKED	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1	464861932	WLVNAWDEUDAIDJ-UHFFFAOYSA-N	424.500	5.394	30	20	HKED	
Cc1cccnc1[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1	467388914	IVRQCTCLDRXFAG-RTWAWAEBSA-N	402.542	5.111	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(COCc3ccccc3)cc2)c2ccccc21	469468990	PWULOVVDBHNMIO-UHFFFAOYSA-N	423.516	5.914	30	20	HKED	
N#CCc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	471187260	PEDCKPILJXMMMZ-FQEVSTJZSA-N	401.432	5.921	30	20	HKED	
C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H]1C[C@H]1c1ccc(Cl)s1	475208187	NTBLIBYVPBNBBJ-JCGIZDLHSA-N	413.974	5.589	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1	475545012	CGJZFNYQUWFEJC-UHFFFAOYSA-N	416.569	6.025	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)[C@H]1c1ccccc1	480657120	CRYXYIDZDUVEPU-DFBJGRDBSA-N	411.505	5.671	30	20	HKED	
C=C(C)[C@H](NC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1	483288517	YSNBLMRGPNPPMI-NYVOZVTQSA-N	418.459	5.283	30	20	HKED	
CC(C)c1csc([C@H](C#N)C(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)n1	483708351	HWXBILGSVISZMS-MRXNPFEDSA-N	410.445	5.266	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccs1	489406257	OTJPKBDZPXQHKD-CYBMUJFWSA-N	418.975	5.274	30	20	HKED	
N#C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1cccc(Br)c1	496294154	ZQBRKRBBYSCQEW-AWEZNQCLSA-N	423.097	5.232	30	20	HKED	
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1cccc(Cl)c1	497674277	PYLWZZSEQFNKPF-CQSZACIVSA-N	403.910	5.689	30	20	HKED	
COc1ccc(-c2nc(CSCCOc3ccccc3C#N)cs2)c(OC)c1	498109800	HEBMKIBQVOZOKI-UHFFFAOYSA-N	412.536	5.011	30	20	HKED	
CC[C@@H](C)Sc1ccc(NC(=O)CCc2ccc(C#N)cc2)c(C(F)(F)F)c1	499588152	TXTHWDMDAYXHBG-CQSZACIVSA-N	406.473	6.039	30	20	HKED	
C=CCC[C@@H](NC(=O)NC(C)(C)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1	500094150	AFMRDOWAELTZOJ-QGZVFWFLSA-N	409.452	5.552	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1	501188470	SPYCDDFMCATXOH-AWEZNQCLSA-N	423.929	5.688	30	20	HKED	
CCCc1nc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)no1	504489977	RQXLCXJWOCBEPR-UHFFFAOYSA-N	408.405	5.168	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCCC[C@@H]3C)n2)o1	504493120	OHZNGBLGGOZTGA-LBPRGKRZSA-N	423.460	5.034	30	20	HKED	
Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c(Br)s1	505339006	SGGPMHVRBDYCNI-NSHDSACASA-N	404.116	5.121	30	20	HKED	
O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	505550039	HZNMJQBDEFHQCS-QWHCGFSZSA-N	421.312	5.528	30	20	HKED	
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1-c1ccnn1C	506977119	FLYLOPRVXKJZDS-UHFFFAOYSA-N	424.460	5.012	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	510076116	AXFYFLHKZJZCAA-UHFFFAOYSA-N	408.885	5.364	30	20	HKED	
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)NCc1ccc(Cl)cc1	510213245	VUCZSTKURWXHBQ-HNNXBMFYSA-N	407.926	5.071	30	20	HKED	
N#C[C@@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2ccccc2s1	513687326	QLJLWBNUSBCSJG-IBGZPJMESA-N	424.485	5.013	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1Cl	515131264	ARPBJIPWSOQMTM-JOCHJYFZSA-N	413.908	6.048	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1	515690077	XASGLNNFNVDBCF-UHFFFAOYSA-N	423.925	5.089	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1csc(-c2ccc(Cl)s2)n1	517443192	PIJALQBOHGDTOQ-UHFFFAOYSA-N	405.957	5.783	30	20	HKED	
CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1cc2ccccc2o1	517506182	DKQLGZZZUCWEGA-LJQANCHMSA-N	417.509	5.069	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccccc3OC(F)F)cc2)c1	518257006	WXVCKXIKIGGGOH-UHFFFAOYSA-N	409.392	5.274	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1	518262908	HXHIKASBQMDUAR-GOSISDBHSA-N	417.534	5.924	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	518522696	PDOQOMCXJLPJHP-UHFFFAOYSA-N	411.436	5.190	30	20	HKED	
C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)C1	522645000	XHWDIHKZTMPEQK-BSEYFRJRSA-N	418.472	5.109	30	20	HKED	
CC(C)(C)Oc1ccccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1	523783127	VGXXQTCWOXXIHJ-UHFFFAOYSA-N	407.514	5.247	30	20	HKED	
COc1ccc([C@@H]2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)cc1	524599425	IAOPQVNBUFXCLD-HXUWFJFHSA-N	413.477	5.381	30	20	HKED	
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1	524706702	FBHJRQAHYLEGCQ-FQEVSTJZSA-N	421.859	5.345	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1	525062434	BRIOCEYVPIQXQR-UHFFFAOYSA-N	416.264	5.330	30	20	HKED	
CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1	525370157	GZNJKCLHXOBEAI-INIZCTEOSA-N	419.506	5.182	30	20	HKED	
C=CCn1c(SCc2csc([C@H](C)OCC)n2)nnc1-c1cccc(C)c1	525624406	XWSMXMRKBTYQDZ-HNNXBMFYSA-N	400.573	5.286	30	20	HKED	
N#Cc1cc(-c2ccccc2)sc1NC(=O)c1c(F)cc(Br)cc1F	531505788	YZRKBJSOQGPPHX-UHFFFAOYSA-N	419.250	5.580	30	20	HKED	
N#CCC[C@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccccc1	533373501	LOVQSFMGQDPXFX-HNNXBMFYSA-N	416.706	5.359	30	20	HKED	
C=C[C@H](CC(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1)c1ccccc1	534679672	KTAKBANWKTZWFQ-GOSISDBHSA-N	406.526	5.512	30	20	HKED	
CC(C)[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl	539290105	VUOFSEGHTKAHKJ-KSFYIVLOSA-N	415.990	5.660	30	20	HKED	
C=CCC[C@@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccccc1	539358645	WWHNUCHERPKVPF-QGZVFWFLSA-N	421.854	5.132	30	20	HKED	
Cc1c([C@H](C)N[C@@H](CCC#N)c2ccccc2)nnn1-c1cccc(Br)c1	540147983	RAMVZXPAFZPYRW-YWZLYKJASA-N	424.346	5.034	30	20	HKED	
COc1cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)ccc1OCc1ccncc1	540351442	NHPRUPGRIJQZLX-LJQANCHMSA-N	415.537	5.321	30	20	HKED	
CCC(C)(C)OCc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N	542559075	ICTZDVKXHBFEDL-UHFFFAOYSA-N	411.571	5.315	30	20	HKED	
CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1	543897051	MLHJCVTZYWLVLU-NTUVXCKYSA-N	405.542	5.179	30	20	HKED	
CC(C)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(Cl)c1	552844595	ODMKQJHCEWTEIX-UHFFFAOYSA-N	401.963	5.001	30	20	HKED	
O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c1	555420760	NEYTVHHXRFWLET-OAHLLOKOSA-N	410.289	5.536	30	20	HKED	
Cc1ccc(-c2nc3c(s2)[C@H](N[C@@H](CCCC#N)c2ccccc2)CCC3)cc1	556203320	KCGHZZOHCGVZKS-FCHUYYIVSA-N	401.579	6.521	30	20	HKED	
CC(C)Oc1cccc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	561175087	JGZKFEJLGAMFJF-QGZVFWFLSA-N	414.596	5.597	30	20	HKED	
Fc1cc([C@@H]2C[C@@H]2c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)cc(F)c1F	565507052	DEPJEVVTGMJYJU-SLEUVZQESA-N	416.296	5.836	30	20	HKED	
Cc1csc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1C#N	573880924	UIRXZCZNYYWZJY-UHFFFAOYSA-N	417.284	5.115	30	20	HKED	
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@](C(=O)O)(C(F)(F)F)C1	578833461	VSTAGCDOIVCQTC-OQPBUACISA-N	423.275	5.124	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@H](c2nc3ccccc3o2)C1	587185567	FXBMPDODOZKLIX-LBPRGKRZSA-N	408.383	5.049	30	20	HKED	
C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	589365096	PUWBVWFRQGOMNA-HNNXBMFYSA-N	402.429	5.036	30	20	HKED	
Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c2cccnc12	603265553	HPSSQFMILYGDAA-UHFFFAOYSA-N	409.514	5.960	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)cn2)cc1	603829324	SMFFOBFGFLXZAP-UHFFFAOYSA-N	402.429	5.081	30	20	HKED	
Cc1cc(C)c(C#N)c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)n1	603898248	YVVIDRLZEQNMSF-GOSISDBHSA-N	420.365	5.333	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)o1	604539225	GJVXBPHSHBYDEK-UHFFFAOYSA-N	412.449	5.126	30	20	HKED	
N#CCn1c(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc2ccccc21	609201362	GDDCUXVABFQWGP-UHFFFAOYSA-N	414.896	5.683	30	20	HKED	
CCCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1C#N	609285797	FEZTTZIKVOJSKZ-ZDUSSCGKSA-N	403.891	5.044	30	20	HKED	
CCCCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1ccccc1	609438240	HMQUZJWFHBAEDD-OALUTQOASA-N	423.582	5.409	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1	609496858	LWCSXPQQXBMGMW-HXUWFJFHSA-N	405.523	5.081	30	20	HKED	
CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H](C)c1cccnc1	609682048	JPEHHKOXPNNSCI-QGZVFWFLSA-N	418.472	5.286	30	20	HKED	
CC(C)N(Cc1ccccn1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	609723716	WSDJUNJOZVLJPV-UHFFFAOYSA-N	405.885	5.450	30	20	HKED	
N#Cc1ccc(CCC(=O)Nc2ccnc(Oc3ccccc3Br)c2)cc1	609816100	KNSISNMCGNYKCZ-UHFFFAOYSA-N	422.282	5.079	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1	609980669	REFOEZZELBXUSO-KBMIEXCESA-N	406.526	5.034	30	20	HKED	
N#Cc1cccc(-c2nnc(CS[C@H](c3ccccc3)c3ccc(Cl)cc3)o2)c1	610216973	VVORUOJQGFORLQ-JOCHJYFZSA-N	417.921	6.284	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CCCc1cccc(Br)c1	610756528	NIUMAXOCEYJDKU-HNNXBMFYSA-N	417.372	5.662	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cccs4)n3)n2)cc1	613318229	RLZZMQAEXKTQSZ-AWEZNQCLSA-N	407.545	5.794	30	20	HKED	
Cc1cc(C#N)ccc1CN[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	614407192	HRXVEDHKKOVRRN-GOSISDBHSA-N	401.485	5.038	30	20	HKED	
CC(C)c1c(NC(=O)N[C@H](C)c2cccc(C#N)c2)cnn1-c1ccccc1Cl	616886166	WGSIUBLSSUHUOE-OAHLLOKOSA-N	407.905	5.403	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)c2)cc1	618749682	FCSOHEXCXDVXPA-VWLOTQADSA-N	422.488	5.012	30	20	HKED	
Cc1ccc(Cc2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1	678173719	ZOJQRJZTFOWYKI-HNNXBMFYSA-N	407.495	5.281	30	20	HKED	
N#CCOc1cccc(/C=C/c2nc3ccccc3c(-c3ccccc3)c2CC(=O)O)c1	730151289	JSDUVGVXACZMLC-BUHFOSPRSA-N	420.468	5.602	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl	731061063	ASOUQFYEJRDUMV-LBPRGKRZSA-N	423.321	5.183	30	20	HKED	
CC(C)[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccn1	736507190	BFDMKVYLGLBBMB-QFIPXVFZSA-N	405.885	5.526	30	20	HKED	
Cc1nnc(-c2cccc(C#N)c2)n1CN(C1CC1)[C@H](C)c1ccc2ccccc2c1	739838934	BKIXVLMLKJIHAE-GOSISDBHSA-N	407.521	5.462	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(-c4csnn4)cc3)c2)s1	740442827	CLRSLKVZNKPYSU-UHFFFAOYSA-N	417.519	5.127	30	20	HKED	
CCCN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	741090959	ZOKUKTSTMKRBGA-KSEOMHKRSA-N	423.582	5.022	30	20	HKED	
C#Cc1cccc(NC(=S)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)c1	741167943	BSLDFMPGZJNWMV-UHFFFAOYSA-N	414.509	5.478	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(F)(F)F)c(C)c2)ccc1OC	743222451	HOWGOIKESMBTHT-INIZCTEOSA-N	421.419	5.025	30	20	HKED	
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc(-c2ccccc2)cs1	744036669	GRLXSRDKOKNCBF-KZNAEPCWSA-N	413.329	6.097	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(-n2cccn2)c1	745934668	ZTSHIQNMHUCNPR-DFBJGRDBSA-N	421.504	5.410	30	20	HKED	
Cc1ccsc1/C=C1\CN(Cc2ccccn2)C/C(=C\c2sccc2C)C1=O	747316724	APAZYUSWMBHNKO-GDAWTGGTSA-N	406.576	5.373	30	20	HKED	
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)n1	748619709	SFHOHJFASKZKPA-AREMUKBSSA-N	420.516	5.456	30	20	HKED	
CC[C@H](C(=O)N1CCC(/N=C\c2cc(Cl)cc(Cl)c2O)CC1)c1ccccc1	749103751	AOWGLUSUJAKMNS-ILRHRSLTSA-N	419.352	5.303	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl	753775099	RPUONUHRLAWXMC-GOSISDBHSA-N	416.308	5.086	30	20	HKED	
FC(F)Oc1ccc(Br)cc1C=NOc1ccccc1C(F)(F)F	754710645	WBXHGJLMYNDENI-UHFFFAOYSA-N	410.136	5.482	30	20	HKED	
N#Cc1ccccc1/C=C(\Cl)c1nc(O)c2c(-c3ccccc3Cl)csc2n1	755580904	IRIKPHWUQREOSG-MFOYZWKCSA-N	424.312	6.326	30	20	HKED	
C#CCOc1ccccc1-c1noc(-c2sc(-c3ccccc3)nc2C(F)F)n1	761996211	KOWNHPJONWEZPC-UHFFFAOYSA-N	409.417	5.477	30	20	HKED	
C=CCn1c(-c2cccc(Cl)c2)nn(CN(CC)CCC(F)(F)F)c1=S	764948560	RYDXYVLOWWWANN-UHFFFAOYSA-N	404.889	5.152	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1	774038826	ZXJKRYHDSSEWCO-HNNXBMFYSA-N	412.946	5.450	30	20	HKED	
C=CCCC(=O)Nc1ccc(COC(=O)c2ncoc2-c2ccccc2Cl)cc1	774583124	SGSVEFDPXOYRES-UHFFFAOYSA-N	410.857	5.257	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1	775527705	UANPMDVJJNRAEC-LEWJYISDSA-N	412.537	5.043	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCC(=O)c3ccc(F)cc3)n2)cc1	778604918	FHEMJMCPMQGJHV-HXUWFJFHSA-N	420.509	5.877	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2cc3ccccc3s2)ccc1O[C@@H](C)C(=O)N(C)C	780188518	LQCOEQPXRYKFQG-DMIOIOJGSA-N	423.534	5.052	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	781348704	LMIJUMSXLKGPMH-INIZCTEOSA-N	420.765	5.237	30	20	HKED	
C=CCCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)OCc1ccccc1	782670141	ZTHRGIBDGMHDCS-UHFFFAOYSA-N	416.481	5.210	30	20	HKED	
CC(=NOCc1ccc(Cl)nc1C(F)(F)F)c1nc2ccccc2n1C(F)F	786738444	JZWWSTPHPPQSAG-UHFFFAOYSA-N	418.753	5.439	30	20	HKED	
O=C(/C=C/c1ncc(C(F)(F)F)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	788353901	JVUIBJIVQVDOOQ-VUDGCMKMSA-N	415.408	5.145	30	20	HKED	
COc1ccc(C(=O)CCCCCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1	789336254	NTUACIUGPRCXFR-NRFANRHFSA-N	400.478	5.253	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1	789455034	HKVCVBRHHCIQRF-GOSISDBHSA-N	415.578	5.259	30	20	HKED	
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C[C@H]1CCC(F)(F)C1	791425249	ANBQJXZLYBBPSJ-SNVBAGLBSA-N	403.313	5.508	30	20	HKED	
CC(C)Oc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1Cl	793547738	MSEBPSNDISKJMN-MRXNPFEDSA-N	413.949	5.133	30	20	HKED	
CC1(C)C/C(=C/c2nccn2CC(F)(F)F)C(=O)c2cc(Br)ccc21	794968371	BXYTWQLDMPNWMU-XFFZJAGNSA-N	413.237	5.156	30	20	HKED	
C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1	796630975	BTYPAQWUPZPHGP-UHFFFAOYSA-N	403.551	5.080	30	20	HKED	
Cc1nn(C(C)C)c(C)c1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1	796754556	AIOCVSAFHGXDRZ-OAHLLOKOSA-N	420.460	5.128	30	20	HKED	
C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1	803520433	MKFPPSZTEUADLB-HSZRJFAPSA-N	411.505	5.003	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(SC(F)F)cc3)CC2)c(F)c1	806081149	GBVXRLQYCQJYDS-UHFFFAOYSA-N	421.444	5.087	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	806461500	JKOHZNHXZWJDCV-CVDCTZTESA-N	407.562	5.063	30	20	HKED	
C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(Br)c1	813060298	VAVYBUSABGZKLA-AUUYWEPGSA-N	421.294	5.053	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1	813217073	BHANOHSHRXLLRL-ABAIWWIYSA-N	400.322	5.174	30	20	HKED	
N#CCCC[C@H](NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1	814209398	AEVMXGKHLKWHCA-QHCPKHFHSA-N	401.535	6.200	30	20	HKED	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)n1	821626089	DCJPIRMGSBNNGS-WFASDCNBSA-N	419.344	5.114	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	914501666	LAZCYQYMZPFVNQ-UHFFFAOYSA-N	417.123	5.618	30	20	HKED	
CCN(C(=O)c1ccc(OCc2ccccc2)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1	914509077	ATODUXYHMNMILB-IBGZPJMESA-N	414.505	5.369	30	20	HKED	
N#CC(CCOC(=O)CCc1nc2ccccc2o1)(c1ccccc1)c1ccccc1	914896003	VFDGZFHBOOOYRJ-UHFFFAOYSA-N	410.473	5.204	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1	915085159	HMDOSOIYOMIQOJ-XMMPIXPASA-N	421.525	6.141	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(OC(F)F)cccc3[nH]2)cc1	915199615	HWWHYWMQGKIKSK-IBGZPJMESA-N	417.415	5.677	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1	915352346	KEDVUSVNHFFHEN-OAQYLSRUSA-N	407.420	5.265	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1	915353616	PKCMWAWVJJLNIQ-HXUWFJFHSA-N	407.420	5.265	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4ccccc4c(Cl)n3)cn2)cc1	916074671	VESIBKFXAATQHZ-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COc2cccc3ccccc23)cc1	916952996	AAWUBNSMABNTKW-VGSWGCGISA-N	400.478	5.080	30	20	HKED	
N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCC1)c1nc(-c2ccc(Cl)cc2)cs1	916976154	LVNNKLVMYYLSBN-SFHVURJKSA-N	410.901	5.901	30	20	HKED	
N#C[C@H](C(=O)CSCc1cccc(Cl)c1)c1nc2cc(Cl)ccc2s1	917043059	GGYAXFGNCKTTEH-CQSZACIVSA-N	407.347	5.713	30	20	HKED	
N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl	917751642	MUEAAKLOARCYAP-ZBTGYSDGSA-N	403.334	5.496	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccc(Cl)s2)cc1	917804995	QQWGCNVUJQPUFE-BENRWUELSA-N	408.910	5.698	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)c2)cc1	918608231	ABYNCUZCJNXLOX-UHFFFAOYSA-N	400.265	5.219	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc4ccccc4c3)n2)cc1	920144521	UNTRGEQHIIJKNT-JOCHJYFZSA-N	412.514	5.781	30	20	HKED	
N#Cc1ncccc1SCc1nc(O)c2c(-c3ccccc3Cl)csc2n1	1641128571	VRIUMDGPZCIZJG-UHFFFAOYSA-N	410.911	5.276	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1	1787664273	FLUYRMAAXNUDMW-UHFFFAOYSA-N	409.917	5.005	30	20	HKED	
CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1	1787664640	DIVMBJKGUTWMHZ-GOSISDBHSA-N	403.526	5.107	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/Sc1ccc(C)cc1	1798390643	XITYTFFBYHHWDM-IZCOTOMCSA-N	424.610	5.007	30	20	HKED	
C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1	1831369204	CGYAAGBGAGAWPJ-XMSQKQJNSA-N	422.569	5.187	30	20	HKED	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccccc1	4285659	DJRXJYSYLKGLST-ZDUSSCGKSA-N	416.909	5.043	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nc2ccccc2c1=O	7161342	XSIKLBVAIIYLAB-UHFFFAOYSA-N	409.898	5.183	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccco3)n2Cc2ccccc2)cc1	7426699	OCMCCXMNKZOFIQ-FQEVSTJZSA-N	400.507	5.122	30	20	HKED	
N#Cc1ccccc1OCC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1	14375318	QSFLCKZVJDUTON-UHFFFAOYSA-N	419.893	5.565	30	20	HKED	
CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)cc2)cc1	22730902	NAQFKWCLUJJPFF-UHFFFAOYSA-O	411.497	5.174	30	20	HKED	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)Cc1cccc(C#N)c1	48736585	NSWWXDWBNQMBDS-UHFFFAOYSA-N	413.481	5.175	30	20	HKED	
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1	54537627	LNOWUHZZKUMUSI-UHFFFAOYSA-N	400.482	5.148	30	20	HKED	
C=CCN(C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc(-c2ccccc2)cs1	64380212	POQOEHDSPQTIIC-UHFFFAOYSA-N	420.925	5.482	30	20	HKED	
CC(=O)N(C)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	65921241	HSPYVIGJPPUYKE-UHFFFAOYSA-N	415.518	5.086	30	20	HKED	
N#Cc1ccc(CNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1	116831706	BEATVOZILMBEFH-UHFFFAOYSA-N	415.543	5.269	30	20	HKED	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(C)cccc3C2=O)cs1	141630816	OJHXSDVLEGGDSW-GZTJUZNOSA-N	404.491	5.103	30	20	HKED	
N#CCCCOc1cccc(NCc2cn(Cc3ccccc3)nc2-c2cccnc2)c1	237828516	DOWPIILJZTXZAF-UHFFFAOYSA-N	423.520	5.288	30	20	HKED	
N#Cc1ccc(OCc2cccc(C(=O)N3CCC(OC4CCCCC4)CC3)c2)cc1	261435772	AVRNKRAKCLNPMI-UHFFFAOYSA-N	418.537	5.091	30	20	HKED	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1	409540979	LYNOALJTVHGMNM-GGAORHGYSA-N	414.461	5.110	30	20	HKED	
CCOc1ccc(Oc2ccccc2NC(=O)c2cccc(SCC#N)c2)cc1	429951205	PFOCXXSWFNBKBJ-UHFFFAOYSA-N	404.491	5.746	30	20	HKED	
N#Cc1cn(CSCc2ccc(Cl)cc2)c2ccc(Br)cc2c1=O	432558604	PEMHIBCQLQMHEE-UHFFFAOYSA-N	419.731	5.180	30	20	HKED	
COc1cccc(-c2nc(CN[C@H](CCCC#N)c3ccccc3)cs2)c1OC	433011044	MNBMUMUUCDIMSI-HXUWFJFHSA-N	407.539	5.352	30	20	HKED	
COc1ccc(CC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1	438642531	AENIWTWRZKHXCM-UHFFFAOYSA-N	417.431	5.072	30	20	HKED	
CSc1nn(-c2ccccc2)c(NC(=O)c2sc3cccc(F)c3c2C)c1C#N	445566909	OKOURTDRHPIQBE-UHFFFAOYSA-N	422.510	5.380	30	20	HKED	
COc1ccc(-c2ncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1	463748631	XYLOSHVIIAXUAM-AWEZNQCLSA-N	409.536	5.323	30	20	HKED	
COc1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1C#N	464072371	GPPFXSCZCQMZOQ-UHFFFAOYSA-N	409.848	5.224	30	20	HKED	
Cc1nc(C(F)(F)F)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	464180556	FYPVCQVNFZZIBW-MRVPVSSYSA-N	401.822	5.224	30	20	HKED	
C=CCN(C(=O)CCc1c[nH]c2cc(C)ccc12)c1nc(-c2ccccc2)cs1	467102959	SFFUAMKTPYHHGN-UHFFFAOYSA-N	401.535	5.752	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)C2CC2)cc1	470514506	QUMKQAOQKHONET-UHFFFAOYSA-N	415.478	5.019	30	20	HKED	
Cn1nc(C(F)F)c2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)sc21	470882651	FJIKNQVCCJUOKG-UHFFFAOYSA-N	424.432	5.489	30	20	HKED	
Cc1ccc([C@H]2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c(C)c1	471001546	QDJXZNLMCKBDFG-PMACEKPBSA-N	407.583	5.126	30	20	HKED	
Cc1ccc(C)c([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	474234854	UFTZVOZMGLHOPC-UGKGYDQZSA-N	407.583	5.473	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(O)ccc1C(F)(F)F	474781257	WZVXSALNKUZVII-UHFFFAOYSA-N	413.355	5.031	30	20	HKED	
COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](CC#N)c2ccccc2)cc1	475253376	FUBGXCVNTPBQNI-RDGATRHJSA-N	416.496	5.322	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1	475577631	FPIPNHVNISDVIA-OAHLLOKOSA-N	411.493	6.287	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	475577758	HOLAQGCMAACGIQ-HYBUGGRVSA-N	405.586	5.571	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-]	476168333	XEXYWFFJFKHDLJ-UHFFFAOYSA-N	403.276	5.462	30	20	HKED	
C=CCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)CCC1	480083871	LBLUAYONJHIEBE-UHFFFAOYSA-N	407.489	5.101	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(F)F)CC3)cc2Cl)cc1	483010862	XRIGYXKISVBKBG-UHFFFAOYSA-N	405.832	5.513	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1cnc2ccccc2n1	483223718	WDFYDKLOHCDGOP-CYBMUJFWSA-N	412.499	5.458	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1ccc(C#N)cc1	484276754	FDHGVHOASICKGI-UHFFFAOYSA-N	413.502	5.048	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1Br	486329693	ZHPWGELZUCYVND-PXNSSMCTSA-N	412.331	5.370	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1cc(F)c(OC(F)F)cc1F	491412157	DXDVUZNEWZBCSJ-UHFFFAOYSA-N	414.252	5.046	30	20	HKED	
O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@@H]1C[C@@H]1c1cccc(F)c1F	493536781	MLLVZEXMTRGBEG-XHBSWPGZSA-N	421.312	5.090	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	495159609	POUPCXSQLBSPEN-UHFFFAOYSA-N	402.479	5.504	30	20	HKED	
CCN(CC)c1ccc(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)n2CC)cc1	495394318	GPBDHYCOONFROG-JOCHJYFZSA-N	419.598	5.347	30	20	HKED	
N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)c1ccc(Br)cc1	499402927	BWQYJOXYBUMKAN-FMKPAKJESA-N	424.125	5.240	30	20	HKED	
COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccc2ccccc2c1)C1CC1	500935608	UBCZWKXWMKUMIZ-UHFFFAOYSA-N	414.505	5.070	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccco2)s1	504373016	YNVWCJSQQHMSMI-UHFFFAOYSA-N	417.465	5.569	30	20	HKED	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cc(Cl)ccc1Cl	504816632	BZYAAKLBDDDXCT-ZDUSSCGKSA-N	420.315	5.098	30	20	HKED	
COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2c1	507693583	LFNAPYWREPNXEB-HNNXBMFYSA-N	417.534	5.767	30	20	HKED	
CCCCN(CCCC)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	510241996	NMNFYSLCJXCKHB-UHFFFAOYSA-N	403.577	5.136	30	20	HKED	
C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1CCCN(C2CCC2)C1	511302911	BEKKAIGGEMJJJD-RXVVDRJESA-N	419.594	5.092	30	20	HKED	
C=C(C)CN(Cc1cc(-c2c(OC)ccc3ccccc23)no1)Cc1ccc(CO)o1	512171352	WQCMUJUIMSKEOK-UHFFFAOYSA-N	418.493	5.167	30	20	HKED	
Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cs1	513677175	RQMPSOXQRNEGBJ-MRXNPFEDSA-N	405.504	5.130	30	20	HKED	
CCOc1ccc(-c2nc(NC(=O)CSCc3ccc(C#N)cc3)sc2C)cc1	515285761	HYQLHNUCVHGSKA-UHFFFAOYSA-N	423.563	5.261	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)F)c2ccccc21	515696422	NEAKALJNKWILQY-UHFFFAOYSA-N	417.843	5.495	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1	518752533	SGMMZCBJSOCIJD-MRXNPFEDSA-N	422.554	5.141	30	20	HKED	
CC(C)c1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cnn1-c1ccccn1	520558867	SAGSRQMHBJDHMF-UHFFFAOYSA-N	423.476	5.307	30	20	HKED	
C=CCN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1	520686809	LIWNOXXUNKIOMV-UHFFFAOYSA-N	424.541	5.244	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nnc([C@@H](CC)c2ccccc2)s1	521651491	FSBSSADLQRXRFW-FQEVSTJZSA-N	417.538	5.172	30	20	HKED	
N#CC1(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CCC1	522984722	HZKOKZAWNWJROJ-KRWDZBQOSA-N	412.320	5.417	30	20	HKED	
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cc1cccs1	525087580	WBXGBLHQZGEHBZ-KRWDZBQOSA-N	406.576	5.521	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc2ccccc2s1	526958516	HHTALDNPJDVPOS-LSDHHAIUSA-N	423.563	5.111	30	20	HKED	
CC(C)CCc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	527366919	GSKLJQSSZRZJAP-QGZVFWFLSA-N	409.555	5.247	30	20	HKED	
N#CCc1ccnc(NC(=O)c2oc3ccccc3c2CSc2cccs2)c1	532434216	RBZXKZYZVOCDDZ-UHFFFAOYSA-N	405.504	5.500	30	20	HKED	
COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1-c1ccccn1	532852765	XCHWKMAQEKOFME-LJQANCHMSA-N	411.486	5.371	30	20	HKED	
CC(C)n1c([C@H]2CCCN2Cc2cccc(OCCCC#N)c2)nc2ccccc21	538729587	ANNDQLBNJGIWQG-XMMPIXPASA-N	402.542	5.637	30	20	HKED	
CCOc1ncccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	538767567	SCLSWCLKQBXIOZ-AWEZNQCLSA-N	418.305	5.401	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccccc1SCCC#N	539756754	SWTKYPANPQDIFF-UHFFFAOYSA-N	415.490	5.655	30	20	HKED	
Cn1c(CNCc2ccc(-c3ccccc3C#N)cc2)nc2cc(C(F)(F)F)ccc21	540203038	YPRJWDVIZNKLFA-UHFFFAOYSA-N	420.438	5.421	30	20	HKED	
N#CC1(c2ccc(C(=O)N3CCCc4cc(Br)cc(Cl)c43)cc2)CC1	540722671	OXMYXQILWLHAJM-UHFFFAOYSA-N	415.718	5.251	30	20	HKED	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc1	540757093	XEDNEXRLGNVCFE-UHFFFAOYSA-N	414.549	5.175	30	20	HKED	
CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1	541070670	MVIAIBHQOUBGLA-HNNXBMFYSA-N	417.896	5.328	30	20	HKED	
Cc1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541084147	FNPMLVCXLGKWQQ-HXUWFJFHSA-N	411.549	5.946	30	20	HKED	
N#CCSCCCN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F	542124950	ZRVNBQRLTCYULC-LBPRGKRZSA-N	424.332	5.564	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1nc2ccccc2o1	542950992	SNNSBODBENRZIT-AWEZNQCLSA-N	411.339	5.300	30	20	HKED	
COc1c(-c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)cnc2ccccc12	547145877	APZVQUSYAUGHNC-UHFFFAOYSA-N	424.416	5.004	30	20	HKED	
C[C@H]1CC(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H](C)O1	549231478	NZVIEXXYPADCJG-OALUTQOASA-N	421.541	5.047	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(F)cc2F)CCCC1	551367331	GDNMPLJXGUKYHW-OAHLLOKOSA-N	400.494	5.667	30	20	HKED	
C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CC#N)CC1	554621388	CCEIKHMCIIJVLA-QGZVFWFLSA-N	413.953	5.004	30	20	HKED	
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc2c(c1)OCO2	555958627	LBPKKZGCPUACED-GFCCVEGCSA-N	422.428	5.182	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nccn1-c1ccccc1	558338585	VSQSZJXHFKVRKJ-IRXDYDNUSA-N	405.527	5.007	30	20	HKED	
CCCn1c(C)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cc(OC)ccc21	561363986	SWQKGIAVCUDIGN-INIZCTEOSA-N	421.566	6.015	30	20	HKED	
CC(C)(CCC#N)CNC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1	561616035	WZJKODISBMKSHL-LJQANCHMSA-N	405.325	5.560	30	20	HKED	
CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@@](C)(C#N)C3CCCCC3)ccc21	564646407	IXHQRNRAAJRMHR-FQEVSTJZSA-N	406.452	5.228	30	20	HKED	
C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H]1c1ccccc1OC	578284306	TWEIPFHYSBGYFC-QFIPXVFZSA-N	411.509	5.029	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(COc2cccc(F)c2)c1	580230890	CXVFCIPXIOCMEH-UHFFFAOYSA-N	424.472	5.100	30	20	HKED	
N#CCCCCCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	588268127	AUJLWMSDZUMIFH-UHFFFAOYSA-N	403.404	5.370	30	20	HKED	
C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nnc1-c1cccc(C)c1	607758274	RNKRTMIRWZASMX-UHFFFAOYSA-N	406.486	5.526	30	20	HKED	
O=C(Nc1ccccc1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F	608762741	LWZQNXXDPISGHY-UHFFFAOYSA-N	417.284	5.301	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1	608896932	HSNYDTYEOAUWAP-UHFFFAOYSA-N	419.403	5.324	30	20	HKED	
Cc1ccccc1N(C(=O)c1cc2ccccc2n1CC#N)c1nc2ccccc2s1	609215827	YXAOYZVTEZNSNR-UHFFFAOYSA-N	422.513	6.062	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(O)CCC(C(C)(C)C)CC1	609555713	BXJXBSQEZTVSQG-CSZIGFGKSA-N	403.592	5.170	30	20	HKED	
N#C[C@@H](NC(=O)c1cc2c(Cl)cccc2s1)c1ccc(Br)cc1	609588739	FFZYCIHYTKOFJJ-CQSZACIVSA-N	405.704	5.312	30	20	HKED	
C[C@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(Br)cc1	609825763	SCQVJBPMJCTNJA-CABCVRRESA-N	417.372	5.162	30	20	HKED	
Cc1csc(C2(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CCCC2)n1	609845313	KPDLHIXOFGQRSV-UHFFFAOYSA-N	418.522	5.707	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F	610146626	KHTYKVNJORYWIZ-RUZDIDTESA-N	415.512	5.601	30	20	HKED	
N#Cc1cc(Cl)c(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c(Cl)c1	611094166	KQHBTBMZLBACJH-UHFFFAOYSA-N	415.251	5.835	30	20	HKED	
N#Cc1ccccc1COc1cccc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)c1	611263524	RCVJRUIGOOWUQB-HSZRJFAPSA-N	414.509	5.125	30	20	HKED	
C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	612804339	JBOKNUDVCWDPRE-RAIGVLPGSA-N	414.365	5.438	30	20	HKED	
CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)Cc1ccsc1	614681200	ZNVPXJUNZFPLQP-MRXNPFEDSA-N	406.511	5.292	30	20	HKED	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1	619343001	ZHTPXTGMCPJBGO-QFIPXVFZSA-N	423.944	5.523	30	20	HKED	
O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(F)cc1Cl	642158795	YXPNVGHUNDWFIY-JIGDXULJSA-N	409.704	5.258	30	20	HKED	
C=C(CNC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1	672664344	SHJXPEQIOQQXKK-UHFFFAOYSA-N	405.885	5.427	30	20	HKED	
C[C@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1F	677856301	REGXIIWMQRVWNU-UKKRHICBSA-N	403.313	5.094	30	20	HKED	
N#C[C@H](C(=O)c1c[nH]nc1-c1ccsc1)c1nc2cc(C(F)(F)F)ccc2s1	682012855	URSZZBNHDDJUJK-LLVKDONJSA-N	418.425	5.257	30	20	HKED	
N#CCOc1ccc(CNC(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)cc1	727844680	GVAFNEOWINJQSN-QHCPKHFHSA-N	419.912	5.026	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCC(O)CC2)cc1	730085884	VQCHPIBZFGSQBU-LUAWRHEFSA-N	407.897	5.457	30	20	HKED	
N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2ccccc2o1	731287935	KTHFMGYMOBIWPZ-MRXNPFEDSA-N	413.271	5.016	30	20	HKED	
O=S(=O)(Cc1cccc(N=Cc2c(O)ccc3ccccc23)c1)c1ccccc1	731937267	IKJMUXCNUGLVTD-UHFFFAOYSA-N	401.487	5.270	30	20	HKED	
O=[S@@](Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1)c1ccccc1	734366104	FHZNABSSZJZYIF-SANMLTNESA-N	404.318	5.757	30	20	HKED	
Cc1cccc([C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	740535310	MAYHWSMYZASXBY-DYVFJYSZSA-N	415.345	6.405	30	20	HKED	
CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1	742537938	ROUUYBLLIPWHIX-HJBMFWNLSA-N	401.535	5.748	30	20	HKED	
CC(C)=CCOc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	744033709	VKWRNLPWTCNXAU-IBGZPJMESA-N	417.292	5.300	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12	746595887	VXIBROXRGCPSBM-UHFFFAOYSA-N	400.507	5.276	30	20	HKED	
CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1F	752038572	GPQXRSMAOHNDLD-WIYYLYMNSA-N	423.488	5.085	30	20	HKED	
C/C(=C\C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1OC(F)F	753220962	LDIKONMKZXMKTL-XDPMZMSMSA-N	402.466	5.582	30	20	HKED	
C[C@H](ON=C1CCOc2ccccc21)c1nnc(-c2ccc(Cl)cc2Cl)o1	757611419	CSSXCNZTWJGBDH-NSHDSACASA-N	404.253	5.308	30	20	HKED	
C=C[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1	759220265	CZDCOBDVXZRAFF-CJNGLKHVSA-N	400.425	5.851	30	20	HKED	
Cc1csc(SCc2c(C(=O)Nc3cc(C#N)ccc3O)oc3ccccc23)n1	759720618	PAVYTNFQLCHSRP-UHFFFAOYSA-N	421.503	5.320	30	20	HKED	
CC[C@H](C)Sc1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)c1	761850739	NSTVTJYKVTUFRP-HTAPYJJXSA-N	409.555	5.363	30	20	HKED	
CCc1noc(C2CCC(Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)n1	764645020	DECJTFDZZYZMTM-UHFFFAOYSA-N	420.488	5.360	30	20	HKED	
N#C[C@@H](C(=O)c1sc(N2CCCC2)nc1Cl)c1nc2cc(Cl)ccc2s1	764756047	MBDNNFDTTXNENO-JTQLQIEISA-N	423.350	5.150	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNCc1cnc2ccccc2c1	764778289	JECCIHFUEWVXSU-UHFFFAOYSA-N	410.308	5.159	30	20	HKED	
CCCCN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	770118005	FRDHFIBIWCKRAU-NRFANRHFSA-N	414.534	5.408	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1	772982267	BKFVGZZTELQZGC-JXFKEZNVSA-N	421.566	5.659	30	20	HKED	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N	780679218	AHUNXDRSKCSLID-HIFRSBDPSA-N	424.501	5.431	30	20	HKED	
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1ccc(F)cc1C#N	782423844	SXQQARNUAUHVIP-UHFFFAOYSA-N	404.319	5.037	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC(C)(C)Cc1ccc(Cl)cc1	783077761	YCJKBONHECMNDO-NRFANRHFSA-N	424.972	5.771	30	20	HKED	
N#CCOc1cccc(CC(=O)Nc2ccc(Cl)cc2-c2ccc(Cl)cc2)c1	791946381	LXFSXNNCPABRQK-UHFFFAOYSA-N	411.288	5.744	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3c(F)cccc3F)cc2)cs1)C1CC1	811697899	OCAFFOFQORRTPO-FMIVXFBMSA-N	424.472	5.500	30	20	HKED	
Cc1ccc(NC(=O)[C@H](C)SCc2cc(Cl)ccc2OCC#N)c(Cl)c1	811807537	ZYFPMBREFMUIBR-ZDUSSCGKSA-N	409.338	5.465	30	20	HKED	
CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1nc2ccccc2n1C(F)F	812378342	GYHDWKHLAXTLKM-UHFFFAOYSA-N	403.742	5.335	30	20	HKED	
Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1	812433051	IWXUOFZJEIVOKV-UHFFFAOYSA-N	421.507	5.061	30	20	HKED	
CCc1nc2ccc(Cl)cn2c1C(=O)[C@@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1	813059783	HUNWWJWWXPPKGU-KBXCAEBGSA-N	422.916	5.025	30	20	HKED	
Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](CCCC#N)c1ccccc1	817318540	CKTORMYXBWAFJO-CQSZACIVSA-N	413.490	5.157	30	20	HKED	
N#Cc1ccc(C2(c3nc(-c4ccc(OCc5cccnc5)cc4)no3)CCCC2)cc1	904470147	WRGUZPXTASCIJR-UHFFFAOYSA-N	422.488	5.442	30	20	HKED	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc2ccccc2s1	915098330	RPDLXYQZQAJDQS-HNNXBMFYSA-N	424.323	5.268	30	20	HKED	
CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2c(C)cc(C)cc2C)cs1	916339336	JVVBFKWQCZQRBA-UHFFFAOYSA-N	412.946	5.852	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)Cc1ccccc1-2	916932338	SXAUBQDXNTYJFV-LJQANCHMSA-N	421.283	5.526	30	20	HKED	
Cc1nc(C#N)c(NN=Cc2c(Cl)cccc2OCc2ccccc2Cl)o1	917554703	RKVHJCDWRUZYTB-UHFFFAOYSA-N	401.253	5.187	30	20	HKED	
C[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cc2)CCC1	1789193447	ZBQOLOULPFOBFA-ZCLUNYJNSA-N	414.615	5.045	30	20	HKED	
C=CCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3O)cc2)CCC1	1790760957	VXPCZAKHYACFHL-UHFFFAOYSA-N	419.308	5.023	30	20	HKED	
C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1	1791587949	WRIBDHRZWYTKNP-UHFFFAOYSA-N	408.498	5.364	30	20	HKED	
CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cccc(OC)c1	11259585	QHMDKDIBORGOIU-UHFFFAOYSA-O	419.570	5.213	30	20	HKED	
CCOC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	14830974	FOYQKWWCIGCINI-UHFFFAOYSA-N	402.475	5.138	30	20	HKED	
C=CCn1c(SCc2nc(-c3ccccc3C)no2)nnc1-c1ccc(Cl)cc1	24471925	HFLULXJIWBGZBY-UHFFFAOYSA-N	423.929	5.435	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)CCC)c1	46850691	RUDWRHKUXTVUBV-UHFFFAOYSA-N	405.951	5.038	30	20	HKED	
N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1	48857931	ODMVFBJAAXVEGF-QHCPKHFHSA-N	403.441	5.176	30	20	HKED	
CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)Nc1cccc(C#N)c1	63785409	QGDRMYILHXFPBS-UHFFFAOYSA-N	406.461	5.229	30	20	HKED	
C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1ccccc1	64853705	SQKDYDPNQPUZMQ-UHFFFAOYSA-N	400.507	5.611	30	20	HKED	
C=CCOc1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1	65878431	ISHDMLQOWLFVCI-UHFFFAOYSA-N	414.914	5.122	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)c1ccccc1F	97542532	HRAWDSWLZRBHGN-UHFFFAOYSA-N	402.469	5.501	30	20	HKED	
C=CCN(C(=O)c1cc(F)cc(Br)c1)c1nc(-c2ccccc2)cs1	107761265	IDBBYNZJAWJUGU-UHFFFAOYSA-N	417.303	5.545	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)c2)c1	107926040	NDEKSTWDSOSOBE-WOJBJXKFSA-N	402.416	5.444	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	303295574	BQRKAQBKBUPJGL-LBPRGKRZSA-N	419.428	5.571	30	20	HKED	
COc1ccc(-c2noc([C@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)n2)cc1	426888039	CGZCPRWLVWHJIN-NSHDSACASA-N	420.416	5.192	30	20	HKED	
CC[C@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[C@@H]1c1ccccc1	428622370	RMZWZBYEVFSFCN-REWPJTCUSA-N	412.537	5.120	30	20	HKED	
CC1(C)CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)c2cccc(Cl)c21	428650827	KDDCXDAOJVPFGF-UHFFFAOYSA-N	404.901	5.055	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N(c2ccccn2)C2CCCC2)cc1	430272602	KCHOUZRESFIPGX-UHFFFAOYSA-N	401.441	5.474	30	20	HKED	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	435097908	VQAXYUPAQNWIOQ-MOPGFXCFSA-N	424.932	5.094	30	20	HKED	
N#Cc1cccc(C2(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)CC2)c1	435366410	YKEKIQVXXPYFGP-UHFFFAOYSA-N	415.880	5.134	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2)s1	436151857	HYEDESZFLOIBGJ-LEWJYISDSA-N	402.523	5.038	30	20	HKED	
C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cncc(F)c1	436320493	HMGMTRMRSVSMCJ-BONVTDFDSA-N	423.332	5.293	30	20	HKED	
CC(C)(C)c1noc(CCCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1	437459564	DFNYASOZVOWIQV-UHFFFAOYSA-N	422.460	5.132	30	20	HKED	
N#Cc1ccc(F)c(CNC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1	437501355	XGGKCJCYPWWTBI-UHFFFAOYSA-N	420.391	5.161	30	20	HKED	
Cc1cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1C(F)(F)F	438557778	YVZNPDMXMNSRKT-UHFFFAOYSA-N	408.264	5.362	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(C#N)cc1	438649176	LUYXYYWIVIBKKI-HNNXBMFYSA-N	400.413	5.244	30	20	HKED	
CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1S[C@H](C)CC#N	439339042	HPRFMUNISPPWNU-JPYJTQIMSA-N	411.571	5.276	30	20	HKED	
C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N(CCC#N)c1ccccc1	439601411	AJAJQJYKGPNVGB-LJQANCHMSA-N	410.477	5.098	30	20	HKED	
CCCc1c(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cnn1-c1cccc(C#N)c1	440065364	AOUKTVQJDCTNKX-UHFFFAOYSA-N	413.456	5.083	30	20	HKED	
Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1	444079772	ZAUWQOLMPJXBFU-UHFFFAOYSA-N	424.479	5.230	30	20	HKED	
COc1cc(C)ccc1Oc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1F	445913455	OJWKPOCHQCQGTH-UHFFFAOYSA-N	412.367	5.337	30	20	HKED	
C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CC)Cc1cccs1	460557872	JMCGOPBMMAMVSE-SFTDATJTSA-N	408.571	5.187	30	20	HKED	
C[C@@H](c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2OC(F)F)no1	463051091	HVVWPGIFEISDGM-JTQLQIEISA-N	420.213	5.124	30	20	HKED	
O=C(Nc1ccccc1CCC(F)(F)F)c1ccc(OCC(F)(F)C(F)F)nc1	465123363	YQMZFMBDBNFFFZ-UHFFFAOYSA-N	424.316	5.108	30	20	HKED	
CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1ncccc1OCCCC#N	466594070	WTBFHXQEJVBARL-UHFFFAOYSA-N	404.873	5.001	30	20	HKED	
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	472758371	XQJSSEWLJDZMSK-WEYGHZABSA-N	409.555	5.431	30	20	HKED	
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CC(=O)c4ccccc43)cc2Cl)c1	475496663	YVJHOLDWZZGCQI-FQEVSTJZSA-N	416.864	5.099	30	20	HKED	
C=CCSc1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1	477508299	JQRUXPXYLXYVMQ-UHFFFAOYSA-N	406.473	5.201	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)csc1Br	478104824	WDARPLBHAJCFNN-VIFPVBQESA-N	411.733	5.572	30	20	HKED	
C=C(C)COc1cc(CNc2nc(-c3ccccc3)c(NC(C)=O)s2)ccc1OC	478620183	IGIUWYBTGWYHSY-UHFFFAOYSA-N	423.538	5.344	30	20	HKED	
CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N)CCC2	478808118	YTHIOWBHQAVTFM-YOEHRIQHSA-N	414.600	5.641	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1CN1CCSCC1	480622942	GWRDDXFXUVBDKA-UHFFFAOYSA-N	422.019	5.170	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cnn(C(C)C)c4nc3C)n2)cc1	480937759	GLQRREJKCTYBAN-IBGZPJMESA-N	415.522	5.243	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1cccc(Cl)c1	481374884	PJMYPHKFYWQAIP-LBPRGKRZSA-N	403.939	5.318	30	20	HKED	
Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1ccccc1Cl	482199187	KCIXQUMTMUVZHX-AWEZNQCLSA-N	410.930	5.481	30	20	HKED	
CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1C(CC)CC	482592026	MIQPWYHAHDBLKK-GOSISDBHSA-N	422.554	5.429	30	20	HKED	
Cc1nc2c(s1)CCC[C@H]2C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	486142242	HFPQKDBANLPTCB-QVKFZJNVSA-N	401.535	5.288	30	20	HKED	
CCCOc1c(Cl)cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OC	487596413	RJQVGFFKASSPCI-IBGZPJMESA-N	400.906	5.302	30	20	HKED	
CCCCCN(CCO)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	490621307	HZAYMVPNXLKGJR-UHFFFAOYSA-N	401.894	5.020	30	20	HKED	
N#CCC[C@H](NC(=O)Nc1nc2c(Br)cccc2s1)c1ccccc1	494366758	KQSMAVVNGAPMIC-AWEZNQCLSA-N	415.316	5.225	30	20	HKED	
CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC	500734948	XOFCVMIODMRYNX-UHFFFAOYSA-N	402.450	5.319	30	20	HKED	
Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)no1	500764574	CRNSFSNNVCUCAC-FQEVSTJZSA-N	417.469	5.191	30	20	HKED	
Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cs2)cc1	501126815	DEKDXBYKYHITFG-UHFFFAOYSA-N	416.531	5.295	30	20	HKED	
C[C@@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)c1ccc(Br)s1	505540366	NMWMDXGSEKROAM-LDYMZIIASA-N	418.143	5.302	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H](C)c3ccc(C#N)cc3)s2)cc1	506182891	NDLHHSIRRSUJEP-ZBFHGGJFSA-N	420.538	5.120	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)cc1Cl	506479483	XUERXCKXBDTMDB-RVKKMQEKSA-N	406.835	5.913	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)cc1	507196198	XDNXEQAHRMVNEH-SJLPKXTDSA-N	402.416	5.249	30	20	HKED	
CC[C@H](C)c1ccc([C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)c2cccs2)cc1	507383851	RUNQHAOQCDSJAO-GAJHUEQPSA-N	424.591	5.342	30	20	HKED	
CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)[C@H](C)c1ccc(C#N)cc1	509578706	JAYAHSUEPFLMPI-MRXNPFEDSA-N	421.591	5.839	30	20	HKED	
O=C(Nc1ccc(OC(F)F)c(F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	509718015	FGPYALWAUHMWJH-ZDUSSCGKSA-N	410.289	5.381	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1cccn1C	510857067	NJPWPHCJFAUMLK-HSZRJFAPSA-N	400.482	5.367	30	20	HKED	
F[C@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2cccnc2OCC(F)(F)F)n1	511991035	WHMKCJBXLXRYQZ-GFCCVEGCSA-N	421.272	5.150	30	20	HKED	
COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)N(C[C@H](C)C#N)C1CC1	513718230	JRAATFSRLRFHCR-GFCCVEGCSA-N	417.918	5.011	30	20	HKED	
N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)o1	514037389	DPWKRDFWKZWZFQ-JOCHJYFZSA-N	406.869	5.265	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)s2)cc1	514517274	LBNLOEUYAYQINT-GFCCVEGCSA-N	423.563	5.437	30	20	HKED	
C=CCn1c(S[C@@H](C(=O)c2ccccc2)C(C)C)nnc1-c1ccccc1OC	514563791	SGLUMXANUGDFLJ-OAQYLSRUSA-N	407.539	5.139	30	20	HKED	
C=CCN(C(=O)c1ccc(-n2cc(C)cn2)cc1)c1nc(-c2ccccc2)cs1	516463079	IIOQFTDTNGKTOL-UHFFFAOYSA-N	400.507	5.137	30	20	HKED	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(C#N)c2ccccc2n1	517199766	APESLDWTZDKXAK-UHFFFAOYSA-N	406.417	5.069	30	20	HKED	
C[C@H](Sc1ccc(C#N)cc1)C(=O)Nc1cccc(CSc2ccccn2)c1	518818176	DSGUBDPDSQUVQL-INIZCTEOSA-N	405.548	5.365	30	20	HKED	
N#C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1cccc(Cl)c1Cl	521768317	CGYOKZSZHNXQHM-QGZVFWFLSA-N	419.239	5.299	30	20	HKED	
C=CCN(CC(F)(F)F)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1	521807838	BKYJGCLEYBAVMU-UHFFFAOYSA-N	413.852	5.239	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1	521811589	MMZRMAGIHKKFAG-ZIAGYGMSSA-N	422.381	6.613	30	20	HKED	
N#C[C@H](NC(=O)CCc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	521887414	RPTPRLUJEXUGNR-INIZCTEOSA-N	412.114	5.070	30	20	HKED	
CN(C)CCc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	522635628	QSVRTRXLMKNVRW-UHFFFAOYSA-N	419.912	5.360	30	20	HKED	
COC(=O)[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(Cl)c1	522752559	HFGRYZJIOFMWEQ-QFIPXVFZSA-N	406.869	5.117	30	20	HKED	
N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)c2)cc1	523156210	IMPDUQNOOMJFJA-XMMPIXPASA-N	413.477	5.112	30	20	HKED	
CC(C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccs1	524206866	NNDVWFUMJCZNJW-UHFFFAOYSA-N	405.523	5.450	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(OCC(C)C)CC1	524437831	BJCYGRWOLKPXOJ-UHFFFAOYSA-N	421.541	5.115	30	20	HKED	
COc1cc(C#N)ccc1OCCSc1nnc(-c2ccco2)n1C1CCCCC1	525338179	ZHJSLBPPMJHPDB-UHFFFAOYSA-N	424.526	5.095	30	20	HKED	
N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Nc4ccccc4)c3)n2)cc1	525447131	RHUCVILWCZBKOJ-JOCHJYFZSA-N	420.497	5.915	30	20	HKED	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	532938347	YJVSQGQRSYMJCL-MRXNPFEDSA-N	420.896	5.413	30	20	HKED	
CC[C@@H](C)n1ncc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C1CC1	534247543	XWSOUDWXVXBYCM-QGZVFWFLSA-N	414.509	5.434	30	20	HKED	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N	535971595	GNOXVIURSODSAB-GOEBONIOSA-N	416.616	6.194	30	20	HKED	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(CC(C)C)c1C(F)F	536364718	DSUNRVBOXZDNQO-UHFFFAOYSA-N	417.378	5.313	30	20	HKED	
C=CCN(C(=O)[C@H]1CCO[C@H](C)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	537348944	GAFSXXRHPLAVBD-GCJKJVERSA-N	418.562	5.811	30	20	HKED	
Cc1cccc(C2=CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	538946388	YEHXTGJKRZVAMK-IBGZPJMESA-N	405.567	5.117	30	20	HKED	
CC(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCO1	539029657	MTDHFLIZXRAQBO-UWJYYQICSA-N	413.905	5.329	30	20	HKED	
C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1	541155969	HCQHRLSYLPUOQV-UQBPGWFLSA-N	411.505	5.069	30	20	HKED	
Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	541175461	MWIQYTYECIQTPE-QZTJIDSGSA-N	424.573	6.464	30	20	HKED	
CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc2)cc1	541203488	SECFRWZOJKVZKR-NRFANRHFSA-N	409.445	5.058	30	20	HKED	
CC(C)Oc1c(F)cc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1F	542203643	DHFGYVDEBDDRQA-UHFFFAOYSA-N	412.392	5.048	30	20	HKED	
C[C@@H](NC(=O)N1CCC(OC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1	543944897	ZDDQBSUWSSSQDN-GOSISDBHSA-N	405.542	5.275	30	20	HKED	
CN1CC[C@@H](c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)c2ccccc21	547056620	KXYCTSKWZWTENU-AXUYNXDZSA-N	409.493	5.080	30	20	HKED	
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1	550826472	GITARGLVXKRZQT-RLWLMLJZSA-N	424.548	5.999	30	20	HKED	
N#CC1(c2ccccc2)CCC(N[C@H](c2cncc(Br)c2)C2CC2)CC1	551816757	KBFDYWTUTCTEAX-ORFBVSJDSA-N	410.359	5.289	30	20	HKED	
N#Cc1ccsc1NC(=O)CCN1CCC(c2c(Cl)cccc2Cl)CC1	554744191	UNXNGIUGLXVMGW-UHFFFAOYSA-N	408.354	5.135	30	20	HKED	
C=CCn1c(SCc2ccc(C(F)(F)F)cn2)nnc1-c1cccc(Cl)c1	556336310	HLKICDFKVSBLAA-UHFFFAOYSA-N	410.852	5.491	30	20	HKED	
C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@H](C)S1	567436450	OBTICDQMQWUWHF-GJZGRUSLSA-N	415.946	5.148	30	20	HKED	
N#CCCCN1C(=O)CCc2cc(NC(=O)c3cscc3-c3ccccc3)ccc21	579417138	ZXTCXTRRCGHUKJ-UHFFFAOYSA-N	415.518	5.250	30	20	HKED	
CC(C)N(CCC#N)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	583118183	CLLLDCIPSKTYAT-UHFFFAOYSA-N	403.891	5.164	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1[nH]c2c(c1C)C(=O)CCC2	600328915	MZCCTQKVLYVDQO-UHFFFAOYSA-N	415.468	5.008	30	20	HKED	
CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1	603705685	CJMBPRCBRSLHSB-FDDCHVKYSA-N	419.569	5.453	30	20	HKED	
C/C=C\c1ccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C#N)c(OC)c1	603969095	BFVOCYUIWKEHFK-CLTKARDFSA-N	404.491	5.346	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)s2)cc1	603972460	RWCFCEJXTIRIBU-UHFFFAOYSA-N	407.495	5.062	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc3c2OCCO3)cc1Cl	604469426	XQCHRXSJYGDIFH-IBGZPJMESA-N	404.853	5.019	30	20	HKED	
CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C)cs1	609206783	UGTKSAUPHRYOOX-UYAOXDASSA-N	424.957	6.033	30	20	HKED	
C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	609208965	LUAPNRILQNIKNY-QGZVFWFLSA-N	401.466	5.199	30	20	HKED	
C[C@@H](NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccc(C#N)cc1	609261187	XZFLSKULGPSGKL-QRQCRPRQSA-N	408.473	5.547	30	20	HKED	
Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609617464	WMLNFWVRVKVHKD-ZDUSSCGKSA-N	424.888	5.278	30	20	HKED	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	609989515	HHAMGZOVQFUHDX-SJKOYZFVSA-N	414.349	5.284	30	20	HKED	
C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F	610240183	QGNZOSKDPLOORR-BZNIZROVSA-N	400.322	5.209	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1cccc(C#N)c1	610322101	PYCSWGPLDUDEDI-HNNXBMFYSA-N	418.884	5.347	30	20	HKED	
CC(=O)c1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1	611871990	LRIXUXKEAWWQTL-QFIPXVFZSA-N	402.881	5.379	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1	613392559	UOIBZDPXXXOLQS-OAHLLOKOSA-N	423.563	5.655	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c4ncccc34)cn2)cc1	619744631	RVJSPQJYAZPBFP-UHFFFAOYSA-N	400.825	5.199	30	20	HKED	
N#CCCn1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c2ccccc21	656498002	QLZRRJCNHQASKS-UHFFFAOYSA-N	419.535	5.125	30	20	HKED	
C=CCCc1ccccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	669727173	NWFNTGQLGRRENJ-ZIAGYGMSSA-N	408.386	5.836	30	20	HKED	
CC(C)(CC(F)(F)F)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1	682053153	DXZIOCUNQQFYHX-UHFFFAOYSA-N	418.288	5.070	30	20	HKED	
COc1ccc(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F	726455706	FQMZTHVRVMNHBR-IUCAKERBSA-N	418.378	5.030	30	20	HKED	
CC(C)Oc1ccccc1C=NOCc1nnc(-c2c(Cl)cccc2Cl)o1	726594500	MGJUBBYEYIXDFE-UHFFFAOYSA-N	406.269	5.381	30	20	HKED	
N#CCOc1cccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1	726845082	CMERMCHYOWIWHW-IBGZPJMESA-N	403.404	5.367	30	20	HKED	
COc1cc(/C=C2/CCc3sccc3C2=O)cc(Br)c1OC(F)F	726894200	VYWXXIJLSQDGQJ-POHAHGRESA-N	415.255	5.333	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2ccccc2Cl)cc1	727355259	PDGWFTPIQJDMFZ-DDAIRQTISA-N	408.910	5.408	30	20	HKED	
O=C(COc1ccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)cc1)Nc1ccccc1	727974012	FQYMOBYHLQPDMD-WDZFZDKYSA-N	411.379	5.018	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	727997033	QOCDVFWALKIVDC-UHFFFAOYSA-N	421.840	5.260	30	20	HKED	
COc1cc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)ccc1OCC#N	728442141	XIAGSWGQJKUZTI-CLFYSBASSA-N	408.454	5.065	30	20	HKED	
CCCCOc1cc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OC	729240324	HEVGORXEWWUQMI-ZHZULCJRSA-N	406.482	5.029	30	20	HKED	
CC[C@@H](Oc1ccccc1C(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	730071287	JGGBQZGRDWIVRD-FUHWJXTLSA-N	412.942	6.107	30	20	HKED	
Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)o2)cc1	730418359	UWRRIJWFAIRVAM-INIZCTEOSA-N	405.454	5.208	30	20	HKED	
CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(SC(F)F)c2)ccc1OC	733631473	XYEQPJIYVWGFDC-OAHLLOKOSA-N	421.469	5.013	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)s2)cc1	733921967	ZZVVWPHGNONUKZ-SFHVURJKSA-N	411.324	5.347	30	20	HKED	
C=CC[C@@H](NC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F)c1ccncc1	734661700	PWFLLDJSLBRGPM-MOPGFXCFSA-N	405.464	5.599	30	20	HKED	
O=C(/C=C\c1ccc(-c2c(F)cccc2F)o1)c1ccc(S(=O)(=O)C(F)F)cc1	735231912	DLMXEQWEMIKODF-POHAHGRESA-N	424.371	5.117	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cc(Cl)ccc1OCC#N	735336711	FEBMGTOOZOTMPA-UHFFFAOYSA-N	417.248	5.216	30	20	HKED	
CNc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(Cl)n1	735651454	ZKIWDABTZSIOBD-KRWDZBQOSA-N	411.292	5.338	30	20	HKED	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1	743016339	BJAZQPBEFDEEMA-MRXNPFEDSA-N	405.954	6.268	30	20	HKED	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1	743093570	VWSOLJJECLWJLG-DVKBMCPXSA-N	413.496	6.096	30	20	HKED	
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(N2CCOC2=O)cc1	743445521	YYHQTMJOAGJCNR-UHFFFAOYSA-N	420.416	5.108	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)s1	744036751	HYUUJGXZEIYTEW-YPMHNXCESA-N	417.353	5.614	30	20	HKED	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCSCc1ccccc1C#N	746204440	NOLXGSCWPQDWIV-UHFFFAOYSA-N	421.488	5.042	30	20	HKED	
O=C(Cc1ccc(N=Cc2cc3ccccc3nc2O)cc1)N1CCCc2ccccc21	749452080	MWVQHZNCIUIFLE-UHFFFAOYSA-N	421.500	5.213	30	20	HKED	
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ncc(Br)s1	756877075	MYPXWVQNZXQKOB-UHFFFAOYSA-N	400.516	5.097	30	20	HKED	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1	760394306	BFKODOBCJVLNBQ-GOSISDBHSA-N	402.519	5.623	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)NCc2ccc(NC(=O)c3ccco3)cc2)cc1	765362658	IIASFHSSCDHSEE-KRWDZBQOSA-N	410.901	5.514	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@H](C)c1ccccc1C(F)(F)F	766454240	UXGWYQYKGXUDHF-STQMWFEESA-N	409.383	5.061	30	20	HKED	
COc1cccc(C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncc[nH]2)c1	776434543	VDAFHZVUJFLCOR-XSFVSMFZSA-N	415.405	5.010	30	20	HKED	
N#CC1(c2ccc(COC(=O)c3cc(-c4cccnc4)nc4ccccc34)cc2)CC1	777146115	QSDDQDRIYIDRNO-UHFFFAOYSA-N	405.457	5.209	30	20	HKED	
N#C[C@H](C(=O)[C@H](F)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	778299526	XOKLUFVKZAGGAV-NVXWUHKLSA-N	419.308	5.874	30	20	HKED	
C=C(C)CNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1	779129730	BOHCFEYXFRNLDK-UHFFFAOYSA-N	413.593	5.261	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)C(C)(C)Sc1ccc(Br)cc1	780156161	DGOLEWFDCUUWQB-CYBMUJFWSA-N	419.344	5.249	30	20	HKED	
N#Cc1ccc(CNC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)nc1	782029264	QTBFTELQTKHTSA-UHFFFAOYSA-N	416.239	5.121	30	20	HKED	
C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	784335569	AINJWBLVJOFLQN-UHFFFAOYSA-N	414.465	5.634	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3nccc(C)c3c2C)cc1	786308925	DGZRKOSRLDVVTJ-SFHVURJKSA-N	405.523	5.217	30	20	HKED	
CC(C)Oc1ccc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccncc2)cc1Cl	789156916	GZAQRTNWCFIKPF-GQCTYLIASA-N	420.900	5.195	30	20	HKED	
N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nccc2ccccc12	792105587	MRRFVFWMYDYQMS-SFHVURJKSA-N	401.853	5.352	30	20	HKED	
C=CCOc1c(Br)cc(CNc2ccc(F)c([C@H](C)O)c2)cc1OCC	796519010	PDMCTRXJUBFGJK-ZDUSSCGKSA-N	424.310	5.217	30	20	HKED	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1)c1ccc(Cl)cc1	804563351	VZJNFYJUTAVVOJ-QHCPKHFHSA-N	420.896	5.195	30	20	HKED	
CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc2cncc3ccccc23)cc1	805856131	RTKBADIDZIOKBP-KOSHJBKYSA-N	413.521	5.104	30	20	HKED	
O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1cccc(C(F)(F)F)c1	811418121	FTWJGUIWHPWADG-UHFFFAOYSA-N	412.232	5.042	30	20	HKED	
Cc1c(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)sc2ccc(C#N)cc12	815814126	XSSVVVGTJNPEEI-IEBWSBKVSA-N	408.523	5.183	30	20	HKED	
CC[C@H](C)c1ccc(-c2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)c3ccccc3n2)cc1	914533411	OIIHOGDDCXDELN-HNNXBMFYSA-N	420.476	5.134	30	20	HKED	
CSc1nc(C2CC2)cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C#N	915199952	POOMNKQUJMKLJS-NRFANRHFSA-N	424.529	5.460	30	20	HKED	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1	916451235	DZRJSYVYKJFBQP-UHFFFAOYSA-N	417.509	5.057	30	20	HKED	
COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)ccc2c1	916915528	FCDSILRGNVINOW-FPSGLDNTSA-N	420.468	5.362	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2c(Cl)c3ccccc3n2C)cc1	916948477	GWVXBSTZWUCDJW-KBXCAEBGSA-N	407.901	5.306	30	20	HKED	
CCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1	917026294	DKRCUFZKUBJEIO-OAQYLSRUSA-N	416.546	5.992	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c(C)n1-c1cccc(C(C)C)c1	917505247	MYCWEQLBJVOGRD-JOCHJYFZSA-N	415.541	5.026	30	20	HKED	
C[C@@H](Cc1cccc(F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1	921130683	BIMBGOHIHPCCCQ-LAUBAEHRSA-N	416.452	5.144	30	20	HKED	
C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCCC4)cc3)CCC2)c1	1787612749	CKUHGXLCUYFOFC-GOSISDBHSA-N	415.537	5.252	30	20	HKED	
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1	1818800281	GLISVEVYNXUKPQ-UYAOXDASSA-N	412.578	5.141	30	20	HKED	
C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(CC)CCC2)CC1	1829066478	GCEUVOJKIAWXID-OAQYLSRUSA-N	402.623	5.179	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1cccnc1	8471856	KEOFEDHNLBUHKR-DLBZAZTESA-N	421.570	5.159	30	20	HKED	
CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(CC)cc2)cc1	10831513	HKWPGMISXBWRDX-UHFFFAOYSA-O	423.989	5.803	30	20	HKED	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1	23881735	UJROQNSVEIFDEF-UHFFFAOYSA-N	413.864	5.351	30	20	HKED	
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1	24701810	VRINHPFSXYBOCF-NRFANRHFSA-N	411.534	5.173	30	20	HKED	
C=CCn1c(SCC(=O)c2cccc(C(F)(F)F)c2)nnc1-c1ccoc1C	25437350	IXXRZRHGZOISJZ-UHFFFAOYSA-N	407.417	5.026	30	20	HKED	
C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccoc1C	27425227	STIBCCYKBHCVRM-UHFFFAOYSA-N	412.902	5.633	30	20	HKED	
COc1ccc2c(CC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)coc2c1	31776880	DGHNCGMLGLRCRP-UHFFFAOYSA-N	412.445	5.073	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1nc2ccccc2s1	41499755	BSMIVMYNFQRJNS-OAHLLOKOSA-N	407.545	5.535	30	20	HKED	
CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-]	51655583	OAOPQBXVENWNHY-ZDUSSCGKSA-N	412.396	5.127	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	107807006	BKOBSRGYLJKIRX-OAHLLOKOSA-N	423.925	5.827	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccccc2C#N)o1	108307914	ATNGFPMXLCQPPT-UHFFFAOYSA-N	402.494	6.229	30	20	HKED	
N#Cc1cccc(CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)c1	214120965	GKYJOGHXLZWQQL-HMAPJEAMSA-N	413.477	5.374	30	20	HKED	
C=C(C)COc1cc(CN[C@H](C)c2ccc(OC)c(Br)c2)ccc1OC	237192881	VPRCYDFUHDYPBB-OAHLLOKOSA-N	420.347	5.272	30	20	HKED	
COc1ccc(-c2nc(C)c([C@H](C)Nc3nc(C(F)(F)F)ccc3C#N)s2)cc1	301257283	DOFUSMGPDFXJFH-NSHDSACASA-N	418.444	5.586	30	20	HKED	
CN(C)Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)oc2ccccc12	303529522	HAWGFBRWGFZRJJ-UHFFFAOYSA-N	411.461	5.411	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cc(Cl)ccc1Cl	426749023	BYHLATNZSPSRPI-ZIAGYGMSSA-N	422.381	5.677	30	20	HKED	
O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC(c2ncc3n2CCCC3)CC1	433003116	PSLCZHVBZMTGEG-UHFFFAOYSA-N	424.548	5.031	30	20	HKED	
C=CCC[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1	435287744	IMOXTGIWWOPZNW-XMMPIXPASA-N	419.546	5.098	30	20	HKED	
C=CCC[C@@H](NC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1)c1ccccc1	435673785	WKUQWRQJWIVNCG-JOCHJYFZSA-N	417.509	5.498	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	436344368	OQVOCKRWRBYMQD-ZEQRLZLVSA-N	424.504	5.243	30	20	HKED	
Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c12	436372896	YMSACTNAWACONV-GGAORHGYSA-N	422.488	5.110	30	20	HKED	
Cc1cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c(C(F)(F)F)o1	436449608	MPHLQUGKNGNNFQ-LLVKDONJSA-N	403.681	5.433	30	20	HKED	
Cc1nc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)sc1SCC#N	437268578	MKOMMALZLYDJED-UHFFFAOYSA-N	424.482	5.267	30	20	HKED	
COc1cc(Oc2ccccc2)ccc1NC(=O)CSCc1ccc(C#N)cc1	437912896	XETLDKVKLRBDGW-UHFFFAOYSA-N	404.491	5.231	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(COC2CCCCC2)c1	438228465	GUEAWUQELMGKOF-JWQCQUIFSA-N	417.553	5.840	30	20	HKED	
CC[C@H]1COCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	438530052	AGGDCUZQLYVIRJ-KRWDZBQOSA-N	419.403	5.012	30	20	HKED	
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1Cl	439444575	BPNMPYAOZBEMQZ-AWEZNQCLSA-N	423.866	5.470	30	20	HKED	
CC(C)(C)Oc1ccc(CNC(=O)NCC2CCC(C#N)CC2)c(C(F)(F)F)c1	441026218	SSGCMNJWWMAVCK-UHFFFAOYSA-N	411.468	5.012	30	20	HKED	
N#Cc1c(NC(=O)[C@H]2SCCc3ccccc32)sc2c1-c1ccccc1CC2	443874719	HQWKTNIDNAGMHA-NRFANRHFSA-N	402.544	5.354	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	443881201	PMKRWDYQSSQZMA-LLVKDONJSA-N	409.389	5.260	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21	443901854	ALPJQALLRJFCPL-PGRDOPGGSA-N	423.582	5.375	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)CC1	460574760	FVCHNWKBPGUQMW-VGOFRKELSA-N	418.969	5.043	30	20	HKED	
CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1	460578105	RCWFNGHOIBANET-SFHVURJKSA-N	417.479	5.032	30	20	HKED	
C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	463740965	HITFMYALWUMVAD-MRXNPFEDSA-N	402.425	5.337	30	20	HKED	
CN(Cc1cc(Cl)cn1C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	467467980	WZLLMFGFPYSHDT-UHFFFAOYSA-N	412.852	5.145	30	20	HKED	
CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@@H]1c1ccccc1	472752992	PBPSVLIBXKRZPT-ZVDOUQERSA-N	407.583	5.986	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ncc(C(C)(C)C)o1	472753684	PRKZOPUYTKQRHK-UHFFFAOYSA-N	418.497	5.053	30	20	HKED	
COc1cccc(Cn2c(NC(=O)C[C@H](CC#N)c3ccccc3)nc3ccccc32)c1	475599443	DQGVAXGKBGUNTH-NRFANRHFSA-N	424.504	5.119	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C	476595027	JFZHGOVTZMNNHJ-LJQANCHMSA-N	411.546	5.069	30	20	HKED	
Cc1nc([C@@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)oc1-c1ccc(Cl)cc1	477287953	XSYXAZWPWIKRGQ-QGZVFWFLSA-N	421.928	5.780	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC)c1ccc(F)c(F)c1	481109581	LTODYAKRPNQWCG-QFIPXVFZSA-N	413.468	5.093	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1	483361514	UZDBSZIHTWWRCO-CYBMUJFWSA-N	420.365	5.835	30	20	HKED	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cnco2)cc1	483375194	INJUVSGIBCNAAV-UHFFFAOYSA-N	411.436	5.508	30	20	HKED	
C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1	485559881	GFPQMTUYNLNNKA-QGZVFWFLSA-N	420.509	5.246	30	20	HKED	
C=CC[C@@H](C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1)c1ccccc1	489438660	PGPLVUUGEVRDHJ-JOCHJYFZSA-N	412.489	5.480	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3cc(Cl)c(F)cc3Cl)n2)c(Cl)c1	498966920	ZMBDKAMXFHJJRI-UHFFFAOYSA-N	409.635	5.096	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCOc2ccccc21	499404191	NZACVFGPCSOKEJ-HXUWFJFHSA-N	400.503	5.353	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nnc(-c2ccccc2)o1	500747899	ZXDBGCWBZFKYKL-UHFFFAOYSA-N	424.460	5.280	30	20	HKED	
Cc1csc(-c2cccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2)n1	505934182	VGCXPDRQHPZOKC-KRWDZBQOSA-N	401.413	5.132	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1ncc(C(C)(C)C)o1	509090263	PDFNXFYIJWVDNK-UHFFFAOYSA-N	419.500	5.457	30	20	HKED	
Cc1nc(NC(=O)c2cccc(F)c2Sc2ccccc2)sc1SCC#N	510300487	VTMCWBPXNNMGIL-UHFFFAOYSA-N	415.540	5.610	30	20	HKED	
CSCc1nc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CCCCCC2	511072837	FUEKIDZBTIACBH-UHFFFAOYSA-N	424.595	5.130	30	20	HKED	
CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1	511324151	VVAAOHKEGIYLJD-UHFFFAOYSA-N	413.521	5.431	30	20	HKED	
CCOc1ccc(N(CCC#N)C(=O)c2ccc(Cl)c(Br)c2)cc1	511515095	UPKVYCMLVGOCBF-UHFFFAOYSA-N	407.695	5.062	30	20	HKED	
N#Cc1ccc(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)c(C(F)(F)F)c1	515257387	UVBVISRGFLLSPN-UHFFFAOYSA-N	419.790	5.688	30	20	HKED	
N#Cc1cccc(OCCCCC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1	517656348	GETWDWAMIYJMFN-UHFFFAOYSA-N	416.443	5.317	30	20	HKED	
O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc2oc(C(F)(F)F)nc2c1	518054562	WZAIMRBONGXHGS-UHFFFAOYSA-N	421.272	5.326	30	20	HKED	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	518739204	STLZIZXRIBYDTE-GJZGRUSLSA-N	413.568	5.159	30	20	HKED	
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCCCOc1cccc(C#N)c1	520328813	KJWDACXDOFVROV-HNNXBMFYSA-N	405.325	5.162	30	20	HKED	
COc1cccc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1	523881889	XSQRHNUQJVEAKK-UHFFFAOYSA-N	406.869	5.285	30	20	HKED	
CCOc1ccc(OCC)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	524505407	YQLMGRHNPLVXFK-UHFFFAOYSA-N	416.477	5.187	30	20	HKED	
COC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(F)c1	525310239	QXQDEWLYYYUNBS-UHFFFAOYSA-N	424.815	5.182	30	20	HKED	
Cc1cc2cc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)oc2cc1C	525860698	HSEWANOYMDPOIB-HNNXBMFYSA-N	417.490	5.129	30	20	HKED	
CC(C)N(CCc1nccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	533131116	NYMLDKQBGVOYOK-UHFFFAOYSA-N	406.511	5.292	30	20	HKED	
COc1cccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)[nH]2)c1	533709954	HZTGBSOFQPBKNI-CQSZACIVSA-N	406.511	5.040	30	20	HKED	
N#Cc1ccc(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)c(Cl)c1	534475525	ZPQIIIQMLUVWSF-UHFFFAOYSA-N	403.585	5.245	30	20	HKED	
C=C[C@@H](CC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)c1ccccc1	536195710	AZUNQUGNTPIQJG-SFHVURJKSA-N	403.551	5.271	30	20	HKED	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2-c2nc[nH]n2)c1	537794429	AAEVJRPEKXBAFY-UHFFFAOYSA-N	415.840	5.041	30	20	HKED	
Cc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cn1	541178180	SRWHFIXVEVOYBR-UHFFFAOYSA-N	412.493	5.466	30	20	HKED	
N#Cc1ccc(CN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C2CC2)cc1	542359693	SNKCQLKHZVCYGY-UHFFFAOYSA-N	408.461	5.563	30	20	HKED	
O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccccc1CCC(F)(F)F	543131041	BAGQUQIESKMMNA-OAHLLOKOSA-N	411.292	5.493	30	20	HKED	
N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1	552576746	PLAUKRROJLVPJB-UHFFFAOYSA-N	411.465	5.029	30	20	HKED	
N#Cc1ccc(Cl)c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1	556957657	VADJXNQOTRQBIH-CQSZACIVSA-N	406.713	5.264	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccncc2)cc1	557707649	MKJPDTHOPQRHTK-KRWDZBQOSA-N	403.507	5.307	30	20	HKED	
C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(OC)CC1	568990294	IJQSITYGFUWRAD-UHFFFAOYSA-N	402.951	5.005	30	20	HKED	
Cc1ccc(SCc2nnc(N(CCC#N)CC3CC3)n2Cc2ccccc2)cc1	571609532	USMCJJFTWDAQMH-UHFFFAOYSA-N	417.582	5.057	30	20	HKED	
C=CCOc1ccccc1-c1nc([C@@H](OCC)c2ccc(F)cc2C(F)(F)F)no1	576265230	CWCBEKJVQQTZMR-SFHVURJKSA-N	422.378	5.585	30	20	HKED	
N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2cc(F)ccc2s1	592973758	KDJZWCTXZCRHTR-CQSZACIVSA-N	421.478	5.239	30	20	HKED	
Cc1cc(C)c2cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)sc2n1	603992508	XAFFRSXFFYPWOF-UHFFFAOYSA-N	415.543	5.864	30	20	HKED	
C[C@@H](CCc1ccc(Br)cc1)NCc1cccc(OCCCC#N)c1	608861086	PBSJFNDOEYEXPQ-KRWDZBQOSA-N	401.348	5.243	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1ccc(Br)cc1	609377738	KPZYOLDPWBFTJX-CQSZACIVSA-N	417.372	5.617	30	20	HKED	
CCn1nc(C(C)C)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N	609378561	PDUOABORBIHHOS-UHFFFAOYSA-N	410.465	5.303	30	20	HKED	
Cc1ccc(Cc2nnc(NC(=O)c3ccccc3-c3ccccc3C#N)s2)cc1	609381759	XHKZRNUTSJMCED-UHFFFAOYSA-N	410.502	5.228	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	609402918	HYJZSLQLOHOGIU-PKOBYXMFSA-N	418.566	5.831	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CCC2	609555703	BSPLRSDLBRBNLV-NRFANRHFSA-N	418.522	5.657	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H]1OCCc2ccccc21	609641949	MNOMMBCXZGLORP-RUZDIDTESA-N	414.480	5.243	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1	609722725	ZSRAXYVKUCFKGQ-UHFFFAOYSA-N	406.825	5.027	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(Oc4nccs4)c3)cn2)cc1	609907143	NHYFKLCHQBBSBY-UHFFFAOYSA-N	414.446	5.247	30	20	HKED	
COC(=O)c1c(CN[C@H](C)c2cccc(C#N)c2)nc2ccccc2c1-c1ccccc1	610343179	AGWGRBASUUABOF-GOSISDBHSA-N	421.500	5.411	30	20	HKED	
Cc1ccc(-c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)c(Br)c1	615133266	VNOMQVBMHGYAJE-GOSISDBHSA-N	409.287	5.021	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3c(Cl)cc(F)cc3Cl)cn2)cc1	617700176	XHSPHQVBFMPHCR-UHFFFAOYSA-N	402.212	5.444	30	20	HKED	
O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCC1	618295313	KHZUBCWGOZWDCF-ZIAGYGMSSA-N	411.361	5.227	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cccc(Cl)c1Cl	619107264	JTOYFNOTJYGYBR-UHFFFAOYSA-N	412.276	5.542	30	20	HKED	
N#C[C@@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccc2ccccc2n1	624443402	AMJQNPTUDTUMFJ-LJQANCHMSA-N	421.485	5.034	30	20	HKED	
O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674443404	QVXDYMPWUXYQAR-KBPBESRZSA-N	420.328	5.064	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc(-c2ccccc2)nc1C(F)F	682803653	JXMQVQRRJNVMGP-UHFFFAOYSA-N	412.505	6.852	30	20	HKED	
COc1cc(OC)c(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)cc1Cl	725830831	GPZVWZBXKABQJS-UHFFFAOYSA-N	424.810	5.155	30	20	HKED	
N#Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(F)c3)SC2=S)cc1Cl	726627172	OFYPCGMENNKETD-GIDUJCDVSA-N	409.294	5.410	30	20	HKED	
O=C(O)c1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)s1	730590129	OZINNYMBULDRIJ-DJWKRKHSSA-N	403.799	5.164	30	20	HKED	
N#CCCSc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12	730983030	YRXZLMBFSDYBNM-UHFFFAOYSA-N	410.502	5.555	30	20	HKED	
O=C(/C=C/c1ccc(-c2cccc(Cl)c2)s1)c1ccc(C(F)(F)F)nc1O	731564961	WNUVENSZPOBIRP-QPJJXVBHSA-N	409.816	6.084	30	20	HKED	
C=CCN(C(=O)c1ncoc1C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	731962500	PKOWNBICZMIWJU-UHFFFAOYSA-N	422.337	6.061	30	20	HKED	
C[C@H](CSc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	732496016	LIBCXWZOERMWOT-IUODEOHRSA-N	407.322	5.069	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1	732593018	FTGFDZLMIVKWFH-FDFHNCONSA-N	407.473	5.122	30	20	HKED	
COc1cccc(O)c1C=Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1	733205062	JBDPLXAHVOTRAP-UHFFFAOYSA-N	406.335	5.497	30	20	HKED	
C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@]3(CC=CCC3)C2)c1=S	733992454	PVOUZBRTQYXOIC-QHCPKHFHSA-N	410.587	5.055	30	20	HKED	
Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N	734738831	QTXYMSSDRGWASV-CABCVRRESA-N	410.470	5.201	30	20	HKED	
CC(C)[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccn1	736506771	GHYCORNFAAMLJT-JOCHJYFZSA-N	405.885	5.526	30	20	HKED	
Cc1ccc([C@@H]2[C@@H](C)CCCN2CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1	738340586	MFPKEDRWSURLHA-HMHJJOSWSA-N	410.521	5.005	30	20	HKED	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	739156820	QVXCBSNMICUXNC-SWLSCSKDSA-N	421.369	5.505	30	20	HKED	
Cc1cc(C(=O)CCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(C)s1	739748562	AJLGPVKTDYLKDK-UHFFFAOYSA-N	408.548	5.244	30	20	HKED	
COc1ccc(CN[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc1C#N	742385221	SWGVRSJYGSFNAU-HSZRJFAPSA-N	410.489	5.446	30	20	HKED	
C[C@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	744030894	NRQZMKGYCNPZMA-WBMJQRKESA-N	407.272	5.049	30	20	HKED	
N#CCOc1ccc(COC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc1	747037910	GFOGNWSLCLLVCV-UHFFFAOYSA-N	418.396	5.088	30	20	HKED	
N#Cc1ccc(/C=C2\CN(C3CCCCC3)C/C(=C\c3ccc(C#N)cc3)C2=O)cc1	747318942	USGBYSAZVCMDGI-KOJZRSEWSA-N	407.517	5.114	30	20	HKED	
CN(C(=O)Nc1cccc(OCC#N)c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	748937868	QAKAZOLXWOMRIZ-JOCHJYFZSA-N	423.875	5.635	30	20	HKED	
N#Cc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)s1	748998578	MMYWNCAIJPANTA-WUXMJOGZSA-N	401.925	5.795	30	20	HKED	
C[C@@H](Oc1cccc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)c1)C(=O)O	750916699	OLGWRHGNOKPLJL-KMHUVPDISA-N	404.434	5.066	30	20	HKED	
N#C[C@@H](COC(=O)c1sc(-c2ccccc2)nc1C(F)F)Cc1ccc(F)cc1	762050449	GUMQQFBZCQZYDI-AWEZNQCLSA-N	416.424	5.426	30	20	HKED	
CCCOc1ccc(-c2nc(C(=O)OC[C@@H](C#N)Cc3cccs3)cs2)cc1	772734185	CPUMSOBZVWQYAK-OAHLLOKOSA-N	412.536	5.200	30	20	HKED	
CC[C@H](C#N)Oc1cc(CN[C@H](Cc2ccccc2)c2sccc2C)ccc1OC	772986213	NZKWYQBVRYQVRE-FGZHOGPDSA-N	420.578	5.820	30	20	HKED	
CC(C)[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(C(F)(F)F)cc1	777117473	ZSJJVEHUJLXEDD-QFIPXVFZSA-N	417.475	5.347	30	20	HKED	
CC(=O)N(c1ccccc1)c1nc(C=NN[C@@H](Cc2ccccc2)C(C)C)cs1	777446982	BMKQGFFJSSPRHS-QFIPXVFZSA-N	406.555	5.019	30	20	HKED	
Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Cl)n1	778607184	STIIPPMPNNSNII-CYBMUJFWSA-N	422.724	5.964	30	20	HKED	
C=CCc1cc(CN[C@@H](c2cccnc2)c2cc3ccccc3o2)cc(OC)c1OC	779407581	DUBJQXZBIURKBC-VWLOTQADSA-N	414.505	5.453	30	20	HKED	
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2ccccc2F)cc1	780534200	PGSGATPEWLQSNX-MRXNPFEDSA-N	405.429	5.340	30	20	HKED	
COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1	780671360	WIVIHVWYYWQBAP-LJQANCHMSA-N	415.493	5.220	30	20	HKED	
N#Cc1ccc(CN[C@H](c2ccc3c(c2)CCO3)c2cc(Cl)ccc2Cl)nc1	783301306	VOJLEIGRTVWPQS-JOCHJYFZSA-N	410.304	5.074	30	20	HKED	
CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)C[C@H](CC#N)c1ccccc1	795980952	GMCAWQFFNBFXSQ-FQEVSTJZSA-N	406.526	5.503	30	20	HKED	
Cc1ccc2c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)csc2c1	796361910	RYTNODMGLPYVQR-HNNXBMFYSA-N	424.547	5.400	30	20	HKED	
N#Cc1cc(F)cc(C2(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2)c1	796906471	WLSSOAKMRMYSRL-HNNXBMFYSA-N	423.419	5.007	30	20	HKED	
CCOC(=O)/C(=C\c1cccc(OCC#N)c1)c1nc(-c2ccc(C)cc2)cs1	797406420	TVGIKPCSXROFFC-ZHZULCJRSA-N	404.491	5.125	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\Sc1cc(F)ccc1F	797943528	SDSUQZXBFYTDLL-QXPKXGMISA-N	414.477	5.043	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)cc1	802042499	RUQJHSDEJUHCCT-IXFSTUDKSA-N	418.537	5.490	30	20	HKED	
N#C[C@H](C(=O)CSCc1c(F)cccc1F)c1nc(-c2ccccc2)cs1	809987972	SRVNTAQMDAYHEJ-CQSZACIVSA-N	400.475	5.198	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(Br)c1	813060299	VAVYBUSABGZKLA-IFXJQAMLSA-N	421.294	5.053	30	20	HKED	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915086914	YGRLKHLKCIRUCJ-UOKFIYJESA-N	409.489	5.189	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2sc3ccccc3c2s1	916883121	ONWILNZGRDATSO-AWEZNQCLSA-N	410.907	5.731	30	20	HKED	
N#C[C@H](C(=O)/C=C\c1ccc(Cl)s1)C(=O)Nc1ccc(SC(F)F)cc1	916888781	YMKPOBPVNZTENQ-SCXUMTSISA-N	412.870	5.077	30	20	HKED	
N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	916932148	QYLZGGFXMFTTAW-FOGDFJRCSA-N	407.219	5.009	30	20	HKED	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	917045217	WUXHQEHBSBCADU-ZYHUDNBSSA-N	424.234	5.382	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)s2)cs1	917561750	MBJILYLYRIAKEL-DAXSKMNVSA-N	423.346	6.092	30	20	HKED	
CCOc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1	917600144	JVPHFEOUZXRYHQ-UHFFFAOYSA-N	423.925	6.212	30	20	HKED	
CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(OCC#N)c1	918038273	MQNIHWGAKHGALL-UHFFFAOYSA-N	420.340	5.976	30	20	HKED	
N#C[C@@H](C(=O)CCOCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1	918492264	QBVMABDHRLBCJT-HNNXBMFYSA-N	404.413	5.098	30	20	HKED	
C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC#Cc1ccccc1	920118121	RYQTVPBVTZLRQN-INIZCTEOSA-N	411.910	5.212	30	20	HKED	
C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sccc3OCC)CCC2)cc1	1791244534	UUVHCYBQTXXURE-MRXNPFEDSA-N	412.555	5.107	30	20	HKED	
C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC=CCC3)CCC2)cc1	1791301265	XJKWORZCCXFMAS-OAQYLSRUSA-N	402.485	5.078	30	20	HKED	
C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1	1824145217	WBAPFZYMKGFDBG-OZXSUGGESA-N	412.618	5.121	30	20	HKED	
CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2cccc(O)c2)cc1	10170513	QISBRGCITLEWCG-UHFFFAOYSA-O	405.543	5.028	30	20	HKED	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2C(C)(C)C)n1	24284063	FKFJXCMTKHHUKH-UHFFFAOYSA-N	407.461	5.309	30	20	HKED	
Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1ccc2ccccc2n1	48853161	XFHZNJSAHBHXFD-LJQANCHMSA-N	413.502	5.622	30	20	HKED	
C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	62414853	FZPGBOUXSJVMJX-UHFFFAOYSA-N	407.901	5.534	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1	63163052	BLDBXJZPPFAMCM-UHFFFAOYSA-N	401.582	5.884	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccccc2OC(F)F)cc1	108012923	XNRYBBIQADCRGA-UHFFFAOYSA-N	410.395	5.141	30	20	HKED	
Cc1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C	303216366	SUYOXNATPVISEB-UHFFFAOYSA-N	400.478	5.080	30	20	HKED	
COc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1	432006809	KXGWHHOCCDHGDB-SFHVURJKSA-N	414.303	5.007	30	20	HKED	
CCc1cncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	434623235	CDSIAKGRBRACGH-OAHLLOKOSA-N	402.306	5.564	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1	436117289	ZELICNYBJJQDDH-UHFFFAOYSA-N	417.415	5.013	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@H]1c1cccc(Br)c1)c1ccccc1	438848746	QIQGHUUHMMEOMI-PMACEKPBSA-N	412.331	5.341	30	20	HKED	
CCCc1c(NC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cnn1-c1cccc(C#N)c1	439678816	RCLYFLRBCAXCJZ-XMSQKQJNSA-N	413.525	5.106	30	20	HKED	
Cc1ccc(C#N)cc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	444835355	JDQYXBYLDMABOF-MRXNPFEDSA-N	415.337	5.701	30	20	HKED	
COc1cc(OC)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1F	446202629	WTAPRPYVDYYEQY-UHFFFAOYSA-N	408.454	5.118	30	20	HKED	
Cc1csc([C@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C2CC2)n1	460250961	LQTDGARRTULMLE-HXUWFJFHSA-N	423.925	5.650	30	20	HKED	
O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	464724059	PKWLACACAZCJDW-GHMZBOCLSA-N	423.332	5.337	30	20	HKED	
C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1cccc(C#N)c1	465513052	IGUJKKFKNHRHRS-KRWDZBQOSA-N	423.969	5.616	30	20	HKED	
COc1ccc(N(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1Cl	466882887	NVDGPDXJRFPURN-UHFFFAOYSA-N	406.869	5.076	30	20	HKED	
Cc1cc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)ccc1NC(=O)c1cccs1	470185572	YEKAFDVSFFJQGR-UHFFFAOYSA-N	423.582	5.537	30	20	HKED	
C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-c2ccncc2)cc1	470472925	JALJNLXLEQUWOU-KRWDZBQOSA-N	423.438	5.179	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C	475584824	PZFAELCVIJSLBQ-UHFFFAOYSA-N	406.574	5.243	30	20	HKED	
C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cc2cccc(F)c2o1	475706135	NVSSRZNCTAYAPO-CYBMUJFWSA-N	411.502	5.063	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)c1sc(COc2ccc(F)cc2)nc1C	476086739	XXBYXTQQNVFXKZ-UHFFFAOYSA-N	424.541	6.274	30	20	HKED	
Cc1ccc(-n2cccn2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1	476841164	DKPIANKHCRSQIH-UHFFFAOYSA-N	424.529	5.597	30	20	HKED	
COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)cc1C	478540141	HJAXSXGWMGIWJU-UHFFFAOYSA-N	402.519	5.728	30	20	HKED	
N#Cc1csc(/C=C(/CC(=O)O)c2nc3cc(Br)ccc3s2)c1	480329091	GLOHTBLRNIOMAD-WMZJFQQLSA-N	405.298	5.007	30	20	HKED	
N#CCCCOc1cccc(NC(=O)c2sc(C3CC3)nc2-c2ccccc2)c1	480523793	IOSLUBMBYUJHAD-UHFFFAOYSA-N	403.507	5.622	30	20	HKED	
C=C(C)[C@@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(F)c(F)c1	480627921	VQCRNAXRTFXWTG-HXUWFJFHSA-N	415.465	5.439	30	20	HKED	
C=C(C)Cn1c(SCc2ncc(-c3ccccc3F)o2)nnc1-c1ccncc1	481335080	GFBJGZMTEORUAF-UHFFFAOYSA-N	407.474	5.003	30	20	HKED	
CC(C)c1c(NC(=O)c2cccc(SCC#N)c2)cnn1-c1ccccc1Cl	482713563	APJOXEKFNXBNHT-UHFFFAOYSA-N	410.930	5.517	30	20	HKED	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1	482917772	CNTYGPNKUIMQSA-SFHVURJKSA-N	415.493	5.460	30	20	HKED	
Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnc2ccccc12	484556405	KBCCTHRPNNYEKY-KRWDZBQOSA-N	403.894	5.810	30	20	HKED	
CC(C)c1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1ccc(Cl)cc1	485175013	QULSMATWPZZPJN-FQEVSTJZSA-N	421.932	5.816	30	20	HKED	
CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n[nH]1	486910886	GNKJLXHWVYSRSI-KBPBESRZSA-N	422.464	5.004	30	20	HKED	
C=CCn1c(SCc2nc(Cc3ccccc3C)no2)nnc1-c1ccccc1C	488888536	IOAGMZYEQMXDSU-UHFFFAOYSA-N	417.538	5.014	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2nc(C(F)F)sc2c1	490684252	MADYIQBMZHQHOA-DOTOQJQBSA-N	412.465	5.538	30	20	HKED	
CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)Cc1ccsc1	495232401	XQSCVUWATHTYFC-DLBZAZTESA-N	401.601	5.034	30	20	HKED	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	497805517	XLAKKBWLZRGMRN-YADHBBJMSA-N	420.434	5.621	30	20	HKED	
C=CCn1c(SCC(=O)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	501902259	WQPQSFHVGRCWCY-UHFFFAOYSA-N	416.543	5.076	30	20	HKED	
CC(C)(c1ccccc1)c1nnc(NC(=O)Nc2cccc(OCCCC#N)c2)s1	503192546	OBFOSRHQPDOCGB-UHFFFAOYSA-N	421.526	5.191	30	20	HKED	
C=CCCc1ccccc1NC(=O)NCc1ccc(Oc2cccc(OC)c2)nc1	505046233	QLOUMXMMORTOHD-UHFFFAOYSA-N	403.482	5.323	30	20	HKED	
C[C@@H](Sc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	509670582	ZKUXDWCXEHFDRT-LLVKDONJSA-N	401.463	5.079	30	20	HKED	
CC[C@@H](CC(F)(F)F)NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1	511885164	OURBVULJQKKEJQ-DZGCQCFKSA-N	400.338	5.017	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccccc2)C2CC2)cc1	514055508	LAZUUBMWWDCXJV-VWLOTQADSA-N	413.496	5.560	30	20	HKED	
C=CCn1c(S[C@H](C(=O)c2ccccc2)C(C)C)nnc1-c1ccccc1OC	514563790	SGLUMXANUGDFLJ-NRFANRHFSA-N	407.539	5.139	30	20	HKED	
C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccncc5)cs4)cc3c2C1	516331466	SVRSAJFFPCRJBM-IFXJQAMLSA-N	412.518	5.301	30	20	HKED	
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1	518570374	RLBKRUPGMZLTDW-UHFFFAOYSA-N	420.412	5.463	30	20	HKED	
COc1cc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1SC	518682302	ZOIUMGRQBOCDPI-HNNXBMFYSA-N	415.584	5.333	30	20	HKED	
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2	518683628	YRQQGLKNWILFFB-APWZRJJASA-N	423.538	5.079	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(Br)c1	519450688	JDISJDQAJATWLI-AWEZNQCLSA-N	418.360	5.365	30	20	HKED	
CCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OCC	519927093	MGRKZVDAGGCXBS-IBGZPJMESA-N	423.557	5.284	30	20	HKED	
N#C[C@H](C(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc(-c2c(F)cccc2F)cs1	520431526	QVACTSAWPFMLHZ-CQSZACIVSA-N	424.403	5.977	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1	520875741	TTYMSGATAQLIKB-MJGOQNOKSA-N	408.926	5.159	30	20	HKED	
N#C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(Cl)c1Cl	520889531	LCQWVZIHBIDWPL-CQSZACIVSA-N	424.740	5.570	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1	521325996	CAQQYBPYLWUEGO-INIZCTEOSA-N	417.490	5.377	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1c[nH]c2cc(F)ccc12	521733324	FASZSKBQBLYTIW-UHFFFAOYSA-N	421.419	5.513	30	20	HKED	
CCC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1	522635075	WYUIUMBFWUGGDM-UHFFFAOYSA-N	419.868	5.605	30	20	HKED	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	523099302	PPCUOJQTJIRWTH-AZUAARDMSA-N	400.478	5.057	30	20	HKED	
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)c1c(C#N)nnc2ccccc12	524842724	SFZPSTCIXDBRRL-UHFFFAOYSA-N	422.517	5.052	30	20	HKED	
CCN(C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)[C@H](C)c1ccc(C#N)cc1	534496292	DJXBEHFMNLWAQP-LJQANCHMSA-N	411.505	5.058	30	20	HKED	
CCN(Cc1csc(N(C(C)=O)c2ccccc2)n1)[C@H](C)c1ccc(C#N)cc1	535977917	LPESALAOJRXIDM-QGZVFWFLSA-N	404.539	5.282	30	20	HKED	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccc(OCc2ccccc2C#N)c1	538759162	IBCDVOIWADCKTI-ADSBAMQRSA-N	418.562	5.068	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1	539229089	BZHPAYAIXIYPNS-YJBOKZPZSA-N	401.963	5.271	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21	540555062	GVAXTZVJDWWKFM-YOEHRIQHSA-N	415.946	5.627	30	20	HKED	
CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1	544278052	QLJSZCGYCNNEPI-SXOMAYOGSA-N	423.560	5.231	30	20	HKED	
Cn1c(Cc2cccs2)nc2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc21	552791269	OTTFMPXBYOTUCF-UHFFFAOYSA-N	414.534	5.279	30	20	HKED	
N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1	555784982	BSZAXLCNGORHJA-HSZRJFAPSA-N	410.473	5.030	30	20	HKED	
CNc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C	557065033	GMPJAADWQWUTOH-UHFFFAOYSA-N	401.253	5.123	30	20	HKED	
CCN(CCC(=O)Nc1ccccc1C#N)[C@H](c1ccccc1)c1ccc(F)cc1	557374576	LGYOHSWYDGIKJM-RUZDIDTESA-N	401.485	5.137	30	20	HKED	
CC(C)(C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1)c1cc(F)cc(C#N)c1	558179609	HNKAFFNZIOSLEH-UHFFFAOYSA-N	411.383	5.079	30	20	HKED	
Cc1nc(C)c(C#N)c(SC[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)n1	559631637	YLIMLSQMULETTI-YJBOKZPZSA-N	407.461	5.244	30	20	HKED	
C[C@H]1CCCN(Cc2ccccc2CNCc2ccc(C#N)cc2C(F)(F)F)C1	562068511	VCKPFOGTEBYJBO-KRWDZBQOSA-N	401.476	5.099	30	20	HKED	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	562132262	MXCVPWIKFDBDGC-IERDGZPVSA-N	424.932	5.094	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Oc4cccnc4)cc3)cc2)ccn1	566592631	UCIHXRJBEFPKQL-UHFFFAOYSA-N	408.417	5.185	30	20	HKED	
N#CCCCn1cc(C(=O)Nc2ncc(-c3ccccc3F)s2)c2ccccc21	569141960	VMBJNVDTSSSGGJ-UHFFFAOYSA-N	404.470	5.460	30	20	HKED	
C=C(C)CN1CCC(NC(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)CC1	601197290	ZQDPTLTUKZNLKQ-UHFFFAOYSA-N	413.949	5.081	30	20	HKED	
CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1	603660087	IHQMIBYCCRIVMK-INIZCTEOSA-N	420.538	5.275	30	20	HKED	
N#Cc1ccc(CSCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1	603689346	IEMAOXHFAZPLDT-QHCPKHFHSA-N	406.938	5.351	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn2)cc1	603763926	CGFFDNDQOYBQNB-UHFFFAOYSA-N	416.418	5.121	30	20	HKED	
N#Cc1c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)sc2c1-c1ccccc1CC2	603992753	XTEMLHUILQMYOY-KGLIPLIRSA-N	404.457	5.693	30	20	HKED	
COc1ccc2c(ccn2CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	604358641	RWXQHRYUHBVAES-UHFFFAOYSA-N	411.461	5.261	30	20	HKED	
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2ccc[nH]2)cs1	604564745	PYYZWQQNYIGYCS-UHFFFAOYSA-N	402.504	5.413	30	20	HKED	
N#Cc1ccc(CNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)c(F)c1	609262757	YOWMHKQMGBJKFH-NRFANRHFSA-N	412.436	5.125	30	20	HKED	
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1	609856010	JCIIOCNDACNIEU-UHFFFAOYSA-N	423.831	5.102	30	20	HKED	
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1C	610053697	ILOAKNYUVROPSA-ZEQRLZLVSA-N	406.489	5.256	30	20	HKED	
CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCCCO1	610717884	QYIOJOSHMAJGOL-QHCPKHFHSA-N	421.541	5.048	30	20	HKED	
COc1cc(C#N)ccc1CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1	612536235	KSCYWZZADQHANO-INIZCTEOSA-N	413.237	5.113	30	20	HKED	
C=CCc1cc(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc(OC)c1OC	617232122	HFSRIAHYDMAUNC-UHFFFAOYSA-N	418.537	5.242	30	20	HKED	
C=CCC[C@H](NC(=O)N1CCC([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1	680099969	VTMDUWWIXJWOMN-ICSRJNTNSA-N	410.480	5.171	30	20	HKED	
CC(C)[C@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	727233109	FXTLYZWCVKDGMI-KXBFYZLASA-N	400.956	5.943	30	20	HKED	
N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(C3SCCCS3)cc2)c1	728012858	MSXHPOBJSJXFOP-UHFFFAOYSA-N	406.479	5.281	30	20	HKED	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1	729887942	FUVFDVUROTVCHV-FVXSSJTDSA-N	414.864	5.017	30	20	HKED	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NCCc1cccs1	730955056	SVPWOOYGHRLTKV-UHFFFAOYSA-N	415.531	5.302	30	20	HKED	
C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1OC	733767773	KISMPTRATDMNGA-RIYZIHGNSA-N	402.450	5.099	30	20	HKED	
C=CC[C@H](NC(=O)N[C@H](c1ccccc1)c1cccc2ccccc12)c1ccncc1	734668855	LYUGFSYVYIKXMH-IZZNHLLZSA-N	407.517	5.941	30	20	HKED	
C=CC[C@H](NC(=O)N(CCc1ccccc1)Cc1ccc(C)s1)c1ccncc1	734680655	QEJSUNXPEAAUNC-QHCPKHFHSA-N	405.567	5.523	30	20	HKED	
CC(C)(C)OC(=O)NCc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1	736992362	NOBLOZUQPMZNND-UHFFFAOYSA-N	424.501	5.038	30	20	HKED	
N#C[C@H](C(=O)c1cc(Cl)cc(Cl)c1)C(=O)c1sccc1Br	743468006	IPTTXQITGXDZOI-SNVBAGLBSA-N	403.084	5.023	30	20	HKED	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(COCc3ccco3)c2)cc1	743470603	HPPPLSQZHJHZNK-HXUWFJFHSA-N	417.509	5.052	30	20	HKED	
C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Cl)c1	744024983	FSHWIANURSPVOC-ZBEGNZNMSA-N	408.857	5.106	30	20	HKED	
CC(C)CN(CCC#N)C(=O)c1ccc(COc2ccccc2Br)cc1	751380404	OCALBTBFRMQBHI-UHFFFAOYSA-N	415.331	5.040	30	20	HKED	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccccc1Sc1ccccc1C#N	752274164	JNLPVZABPFPQKM-MAUKXSAKSA-N	408.548	5.013	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1	752636208	JGVBTWGVIHWIAI-JOCHJYFZSA-N	417.459	5.327	30	20	HKED	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3ccc(C)cc3C2=O)cs1	753901230	YVZJKHMGCBWZHQ-SFQUDFHCSA-N	422.937	6.002	30	20	HKED	
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cs1)C1CC1	754689524	HWPKMMQQMMFTNQ-XVNBXDOJSA-N	414.836	5.227	30	20	HKED	
C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1	758697198	XMGPRNQLQSNQFY-LLVKDONJSA-N	402.237	5.027	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C\c1ccc2ccc(Cl)cc2n1	759181243	BCULBKXZGMUKJT-GDWUOILNSA-N	413.864	5.283	30	20	HKED	
CCCCNc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(OCC#N)c1	761169710	DXCPQUQMFKNOIY-UHFFFAOYSA-N	405.420	5.001	30	20	HKED	
C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H]2c2ccccc2Cl)c1=S	764899366	HXOJTVUFNYCMOL-IBGZPJMESA-N	411.962	5.110	30	20	HKED	
Cc1cc2c(cc1C)[C@@H](C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)CO2	770841536	NSHKWPRAEVRQCR-CABCVRRESA-N	416.424	5.284	30	20	HKED	
N#CCOc1ccc(Cl)cc1CN[C@H](COCc1ccccc1)c1ccccc1	775455938	WAADROSVXPMLLW-HSZRJFAPSA-N	406.913	5.290	30	20	HKED	
C#CCCCCCC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1	779855303	IIKMVQSFOJXXNC-UHFFFAOYSA-N	416.880	5.262	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	780486224	QKVWIDAWSZNHIR-MOXGXCLJSA-N	401.432	5.537	30	20	HKED	
Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCC2	780486666	YCLDKYJGCWVONH-PZJWPPBQSA-N	402.523	5.306	30	20	HKED	
Cc1ccc(-c2ccc(CN(C(=O)NCc3ccc(C#N)cn3)C(C)C)s2)cc1	780645660	DOAMHGQXXBAJFR-UHFFFAOYSA-N	404.539	5.110	30	20	HKED	
CC(C)(C#N)CCCOC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1	783879605	UZMVVWIUBALTJJ-UHFFFAOYSA-N	421.537	5.187	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cc1	793198808	MRAPSZSVWAFNFC-FQEVSTJZSA-N	411.343	5.098	30	20	HKED	
Cc1c(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)sc2ccc(C#N)cc12	794330684	XMKAVONXMLMDLS-UHFFFAOYSA-N	420.881	5.569	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C\Sc1cc(F)ccc1F	797830355	LAJPGWPNDSWNSQ-NTMALXAHSA-N	423.444	5.577	30	20	HKED	
Cc1ccc(C(=O)Nc2cc(C)c(NC(=O)c3ccc(C)c(C#N)c3)c(C)c2)cc1C#N	799374812	ODJRALKMIPIMCV-UHFFFAOYSA-N	422.488	5.168	30	20	HKED	
CCOC(=O)Oc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1	799931854	FGJHAXATGQMILF-UHFFFAOYSA-N	402.406	5.138	30	20	HKED	
N#C[C@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	801688398	RGLFDPRDBQVAFU-LSDHHAIUSA-N	404.285	5.116	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc2ccccc2s1	810282213	OHACXWQPXSPIQZ-AWEZNQCLSA-N	415.478	5.238	30	20	HKED	
N#C[C@H](C(=O)Cc1cccc(Cl)c1F)c1nc(-c2c(F)cccc2F)cs1	810555981	VJWJRFWNVOKPIP-LLVKDONJSA-N	406.816	5.300	30	20	HKED	
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1	815636365	TZFLNZUXERRARR-MSOLQXFVSA-N	414.933	5.576	30	20	HKED	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccccc1)c1ccccc1C#N	914515140	LFYWVLPOXOPSAA-SANMLTNESA-N	421.500	5.056	30	20	HKED	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2s1	915097895	FALJXTPJMKWWJP-HNNXBMFYSA-N	424.888	5.132	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NCCSc2ccccc2)cc1	915124571	PUTUHZYGKIOAHH-QFIPXVFZSA-N	403.576	5.421	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCOCCc2ccccc2)cc1	916708027	GNHMJSHBEWIEAU-VWLOTQADSA-N	413.521	5.113	30	20	HKED	
N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2s1	916846136	IHWRJPUNVJQZTG-KAMXEHQASA-N	404.491	6.054	30	20	HKED	
N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nc2ccccc2s1	916846323	PYBLKWXXCZCRSA-AWEZNQCLSA-N	417.353	5.168	30	20	HKED	
C/C=C\c1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(OC)c1	917043439	IQIBZELDJRFWDC-ABCZVMIZSA-N	412.898	5.247	30	20	HKED	
COc1cc(/C=C/C(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)(F)F	921262218	QFPZBUGQMBVKNE-AATRIKPKSA-N	415.751	5.094	30	20	HKED	
C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1	1790205809	LUGPZLMPNKDCJH-SFHVURJKSA-N	412.917	5.449	30	20	HKED	
C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1	1822960946	UOKHTUIDWMOACP-FWDQCLROSA-N	424.589	5.141	30	20	HKED	
Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C#N)c(C)c1C	5089353	WUJYBSLOABQEBC-UHFFFAOYSA-N	413.852	5.282	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(F)cc1	17704931	KLDPYNGZPUIAOH-HNNXBMFYSA-N	421.501	5.482	30	20	HKED	
C[C@@H](C#N)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1	17747620	JCIKCOKPSVLOLE-ZDUSSCGKSA-N	409.481	5.418	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	45721241	GZQQDWRHGUQLFX-SFHVURJKSA-N	419.550	5.459	30	20	HKED	
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(NC(=O)c2cccs2)c1	56587195	YGYHZYLRBQMRSA-UHFFFAOYSA-N	409.486	5.360	30	20	HKED	
N#Cc1cccc(COc2cccc(NC(=O)c3cnc(-c4ccccc4)s3)c2)c1	107539830	QPOUDNGNJPIVRV-UHFFFAOYSA-N	411.486	5.513	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F	149543133	BZEJYYGXOVIKHB-VQHVLOKHSA-N	415.348	5.361	30	20	HKED	
C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccc(Cl)cc1	303270302	HCTVOHSSCKULOC-GJZGRUSLSA-N	404.988	6.025	30	20	HKED	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(OCc3ccccc3C#N)c1)CCC2	303508656	OCSPWKWQIZUWPW-QFIPXVFZSA-N	417.534	5.052	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCc2sc(Cl)cc21	426048039	IDWHIGGAWVPCRT-QGZVFWFLSA-N	406.983	5.344	30	20	HKED	
C[C@H]1CCCN(Cc2ccccc2CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1	431810078	NNRXODDMDVMBFY-OFVILXPXSA-N	418.585	5.153	30	20	HKED	
C=CCCCCCN(C)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1	431813619	UQMMGOCOCMBTBG-UHFFFAOYSA-N	419.323	5.242	30	20	HKED	
Cc1cc(C)c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(Br)c1	431964989	DWTGFUBXPOWDEM-HKUYNNGSSA-N	412.331	5.370	30	20	HKED	
Cc1cc(-c2cc(C(=O)Nc3cccc(C#N)c3C)c3c(C)noc3n2)c(C)s1	432840001	OQJDQKQIIAIMJE-UHFFFAOYSA-N	402.479	5.309	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(COCc2ccco2)c1	437767839	AFBGAQUFBGVCIQ-BJKOFHAPSA-N	415.493	5.300	30	20	HKED	
CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1	438051554	POHIDOAFAWQELQ-GJZGRUSLSA-N	418.588	5.299	30	20	HKED	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2OCCc3ccccc32)cc1Cl	440782277	JTVMGSXPMDKMTI-FYYLOGMGSA-N	402.881	5.248	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc2cc(C(F)(F)F)ccc21	442612960	VIPDDOWHWRBULM-ZDUSSCGKSA-N	411.305	5.101	30	20	HKED	
CC(C)n1cc(Br)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1	442671488	MGVBVWKAJHFQKN-LBPRGKRZSA-N	422.735	5.585	30	20	HKED	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccccc1Sc1ccccc1C#N	461207313	JJCVBWDCNBAAQN-UHFFFAOYSA-N	416.428	5.023	30	20	HKED	
CCOc1c(F)cccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	463476364	RAAFJUWXYWJKBG-UHFFFAOYSA-N	408.404	5.066	30	20	HKED	
CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1	463820839	YWJSFZCXNGFIEY-GAJHUEQPSA-N	403.913	5.348	30	20	HKED	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Br)ccc1Cl	464942527	QQOXECLAYGZPGM-SJLPKXTDSA-N	403.707	5.014	30	20	HKED	
C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Nc1ncccc1OCCCC#N	466606005	FGTFIQMQZTYVOX-CYBMUJFWSA-N	419.312	5.222	30	20	HKED	
CC[C@H](C)n1c(SCCCSCC#N)nc2sc3c(c2c1=O)CCCCC3	466622628	FYRZFWHGRJHBFQ-AWEZNQCLSA-N	421.657	5.437	30	20	HKED	
Cc1ccc(-n2ncc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2C(C)C)cc1	469166684	ULKLEFWVVOIHTJ-UHFFFAOYSA-N	411.465	5.083	30	20	HKED	
N#CCc1ccc(NC(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)cc1	470612017	PVLBKKBFLRDSNT-HSZRJFAPSA-N	401.897	5.738	30	20	HKED	
N#Cc1cccc(-c2nnc(CNc3ccc(F)cc3-c3ccc(Cl)cc3)o2)c1	471653543	KDRIDIVKSARKBD-UHFFFAOYSA-N	404.832	5.680	30	20	HKED	
N#C[C@@]1(NC(=O)c2oc3ccccc3c2COc2ccccc2)CCc2ccccc2C1	472263619	NPWGTYIGDHHELC-HHHXNRCGSA-N	422.484	5.193	30	20	HKED	
C[C@@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1ccc(-c2cccc(C#N)c2)cc1	474005043	KKTGKSPRXLNICO-WINIVTDRSA-N	423.516	5.127	30	20	HKED	
Cc1nc(CC2CC2)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2	475255538	UFGWWRKPNRGDSM-UHFFFAOYSA-N	405.548	5.355	30	20	HKED	
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1	480882994	ZSJFJZWHPKGFJN-UHFFFAOYSA-N	421.909	5.574	30	20	HKED	
CN(Cc1ccccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1	481681504	CXADBHATJGXMIT-UHFFFAOYSA-N	423.875	5.594	30	20	HKED	
CC(C)(C#N)CC(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1	485688866	HGUPWXRMRYTZST-UHFFFAOYSA-N	401.466	5.222	30	20	HKED	
C=CCSc1ccccc1NC(=O)CNc1ccccc1NC(=O)C[C@H]1C=CCC1	487382122	UMOSIIALLQQFOB-SFHVURJKSA-N	421.566	5.310	30	20	HKED	
CC(C)(C#N)c1ccccc1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1	487388183	IACFIQKGBOXLJN-LJQANCHMSA-N	404.489	5.056	30	20	HKED	
C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1cccs1	489388244	INXLHONWNXPFFZ-NSHDSACASA-N	401.542	5.157	30	20	HKED	
CN(C(=O)c1cccc(NCc2cc(C#N)ccc2Br)c1)c1ccccc1	492580561	FFVDWZQAMSFIGD-UHFFFAOYSA-N	420.310	5.209	30	20	HKED	
CC(C)c1nc(C(=O)N(CCC#N)CC(C)(C)C)nn1-c1c(Cl)cccc1Cl	494343196	KYQKZGJHUPPFJX-UHFFFAOYSA-N	422.360	5.099	30	20	HKED	
COCc1ccsc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	496517341	NDGOPDSQBUGBME-CYBMUJFWSA-N	423.346	5.815	30	20	HKED	
C=CCn1c(S[C@H](C)c2ccc(F)cc2F)nnc1[C@H]1COc2ccccc2O1	497671464	OEZNAWKTWRMEJB-BFUOFWGJSA-N	415.465	5.108	30	20	HKED	
CCOc1ccccc1OCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	500744966	QPZREDAQCQUKFQ-UHFFFAOYSA-N	402.450	5.075	30	20	HKED	
C=CCOc1ccccc1CNCc1csc(-c2cccc(Br)c2)n1	500899570	OFQJBJFNDRMJGG-UHFFFAOYSA-N	415.356	5.427	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2SC2CCCC2)cc1	502323455	DWKUDGOBDODWCD-UHFFFAOYSA-N	410.543	5.673	30	20	HKED	
N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1	503555637	JTWHJXQDQROJDT-QFIPXVFZSA-N	421.481	5.964	30	20	HKED	
C=CCCc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccccc2CCC=C)O1	504288948	IRCRFHZYJDLKMM-PSWAGMNNSA-N	418.537	5.049	30	20	HKED	
CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)Nc1ccc(CC#N)cc1	510033160	GNJUURFYWANZER-UHFFFAOYSA-N	407.514	6.063	30	20	HKED	
CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	510589629	UQHIMGBKMJDEPP-LJQANCHMSA-N	402.325	6.164	30	20	HKED	
C[C@H](C#N)CN(C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1)C1CC1	513686506	AKCFPKQLUCISTC-CYBMUJFWSA-N	410.930	5.773	30	20	HKED	
C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(Oc2cccnc2)cc1	514159413	DDGGMSPYCYPTGV-GOSISDBHSA-N	412.493	5.181	30	20	HKED	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	514575980	UYISLORMAQQTHM-HRAATJIYSA-N	415.880	5.273	30	20	HKED	
COc1ccc(CCC(=O)Nc2ccccc2SCCC#N)cc1Br	517442675	AISRIVPVNZZBRF-UHFFFAOYSA-N	419.344	5.035	30	20	HKED	
CC[S@@](=O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	518323197	UMTGUNUBTGONLA-GDLZYMKVSA-N	424.909	5.384	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OC(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1	518870966	OFPXJBVZGWPGPN-GFCCVEGCSA-N	406.360	5.180	30	20	HKED	
N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(-c2ccccc2F)n1	520676284	DIDJQPFRJDUQKH-UHFFFAOYSA-N	417.918	5.346	30	20	HKED	
C=CC1CCN(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)CC1	523633782	LJVGERLSVJGYPA-UHFFFAOYSA-N	403.954	5.175	30	20	HKED	
CC(C)c1ccccc1OCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	524387024	FGIZZNJMKOKCEN-UHFFFAOYSA-N	400.478	5.278	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccccc1C(F)(F)F	525301802	ATBICXIWXXJMFM-GFCCVEGCSA-N	402.869	5.879	30	20	HKED	
C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1	530546263	XJQIJKKQLOMOSF-UHFFFAOYSA-N	414.571	5.324	30	20	HKED	
CC(C)(NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1Br	533865244	YHPBGRUHIHMJDE-SFHVURJKSA-N	400.320	5.028	30	20	HKED	
N#Cc1cccc(Cc2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)c1	534453987	VHYGQODWJNDTAS-UHFFFAOYSA-N	421.485	5.385	30	20	HKED	
CC(C)c1nc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1	535674467	FOYXCXAJBQXGFU-KBXCAEBGSA-N	422.920	5.120	30	20	HKED	
Cc1cc(NC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)nn1CCC#N	538618917	GOZGADBFSNTILI-NRFANRHFSA-N	407.543	5.201	30	20	HKED	
CCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(C#N)c(Cl)c1	540275186	WKKAYUZAYCAYIO-UHFFFAOYSA-N	412.276	5.719	30	20	HKED	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1	543304907	RZQSNARWGNAYFX-FVJLSDCUSA-N	409.555	5.704	30	20	HKED	
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnn(-c2ccccc2)c1CCC	543973726	LLSDOXHSPCZSNV-UHFFFAOYSA-N	404.514	5.054	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NCc3nc4ccccc4n3C3CC3)cc2)c1	549204574	NMUAVPSMOSDUHI-UHFFFAOYSA-N	423.476	5.357	30	20	HKED	
COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1	553233472	LLFRJIQBMDUVIF-AUSIDOKSSA-N	406.526	5.116	30	20	HKED	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1	554887566	ZFOZCKOKMNPYGY-SFHVURJKSA-N	400.478	5.327	30	20	HKED	
C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cccs2)CC1	555439986	NHSLTGKDTFYXDL-MRXNPFEDSA-N	412.534	5.069	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)cc2)ccn1	558512760	ZIWQOHSUIBIJKN-XMMPIXPASA-N	421.460	5.052	30	20	HKED	
C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(OCC2CCCC2)CC1	559001983	XXWUVISSEYGGSE-UHFFFAOYSA-N	400.592	5.067	30	20	HKED	
C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C	559009140	JRPDTFYBMXIWKC-UHFFFAOYSA-N	420.007	5.201	30	20	HKED	
C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1	562019916	PRGHRWJWMWLXBX-FQEVSTJZSA-N	424.570	5.146	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCSc4ccccc43)cc2)ccn1	564432722	GMMLYTALMQTNLO-FQEVSTJZSA-N	402.479	5.104	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1	565264852	JUVQMXSWPSZTCW-OAQYLSRUSA-N	414.530	5.607	30	20	HKED	
N#Cc1cccc(-c2nnc(CSc3nnc(-c4cccc5ccccc45)o3)o2)c1	576274529	KPLWKIJFACBQTG-UHFFFAOYSA-N	411.446	5.104	30	20	HKED	
N#Cc1cc(Oc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)ccn1	576390648	HVEJCEHYDVXYNY-UHFFFAOYSA-N	416.418	5.121	30	20	HKED	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1	579779798	ODBCRHHISJVBII-HJPURHCSSA-N	416.456	5.500	30	20	HKED	
COc1cc(CNCc2cn(C(C)(C)C)nc2-c2ccccc2Cl)ccc1C#N	583233056	QRGIIEAPPMVNOP-UHFFFAOYSA-N	408.933	5.129	30	20	HKED	
N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2cc(F)ccc2s1	592975888	XKFDFCVXZBRXJW-OAHLLOKOSA-N	421.478	5.239	30	20	HKED	
CC(C)Oc1ccc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1	603682367	GNWFLJHICYZQJZ-FQEVSTJZSA-N	400.522	5.775	30	20	HKED	
CC(=O)Nc1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)ccc1C	603737918	UJUMCUAUYDUKDT-UHFFFAOYSA-N	415.468	5.120	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)cn2)c1	604234735	NHFHHFFMOOOITN-UHFFFAOYSA-N	424.460	5.362	30	20	HKED	
N#C[C@@H](C(=O)c1ccc(OC2CCCCC2)cc1)c1nc2ccccc2n1C(F)F	605257604	SLQQZXGPEUVBNR-SFHVURJKSA-N	409.436	5.633	30	20	HKED	
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)c3ccc(C#N)cc3F)cc12	609216004	CRUIEEQVSHCGNZ-UHFFFAOYSA-N	424.888	5.336	30	20	HKED	
N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1	609316509	NBPHADDKAOKQNQ-JOCHJYFZSA-N	402.425	5.173	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NCC(=O)N(c1ccccc1)C1CCCCC1	609431056	BESCXQDEXDNHMY-LJQANCHMSA-N	407.583	5.859	30	20	HKED	
N#C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccc(C(F)(F)F)c1	609460568	AQROZJAOXLXHTJ-INIZCTEOSA-N	405.763	5.008	30	20	HKED	
CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H](C)c1cccnc1	609682428	XFIYLHISDVMKEK-LJQANCHMSA-N	414.509	5.456	30	20	HKED	
COc1ccc(CCN(CC(C)(C)C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1	609683278	PPPKZRMOOTUTLD-UHFFFAOYSA-N	407.558	5.619	30	20	HKED	
N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](C[C@H]4CCOC4)C3)c2)cc1	611357682	CNWSHNNRHTVUCH-VQTJNVASSA-N	405.498	5.021	30	20	HKED	
N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1cnc2ccccc2n1	616724231	VPICXBNHUXBPRD-QGZVFWFLSA-N	418.478	5.063	30	20	HKED	
C=C(CNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	672477957	CBYFZRUAUUDPBC-UHFFFAOYSA-N	416.308	5.196	30	20	HKED	
Cc1cccc2nc([C@@H](C#N)C(=O)c3sc(-c4ccccc4)nc3C(F)F)[nH]c12	677790997	JIVPEMRYLGBDPG-ZDUSSCGKSA-N	408.433	5.423	30	20	HKED	
COc1ccc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)c(OC)c1OC	727267871	UYORSTVYGUADDR-YRNVUSSQSA-N	413.470	5.180	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1	727952830	SCTFIPOOJIRXGW-QFIPXVFZSA-N	414.505	5.322	30	20	HKED	
FC(F)(F)Oc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1	727971088	OCGGHMFNIYBHLG-UHFFFAOYSA-N	412.824	5.005	30	20	HKED	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)c1ccc(N2CCC(O)CC2)cc1	730084587	FXQISQLEQSFOLB-LUAWRHEFSA-N	407.510	5.411	30	20	HKED	
N#C[C@H](C(=O)CCCCCc1cccs1)C(=O)Nc1ccc(Cl)cc1Cl	731546737	RLUVNTUSDXZFNN-OAHLLOKOSA-N	409.338	5.505	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccc(OCC#N)cc4)cc3)sc2c1	731953219	NFWBABFALZGMTL-UHFFFAOYSA-N	413.502	5.355	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)c1	733849258	YUBCHIAWXUHXKQ-AUSIDOKSSA-N	419.525	5.619	30	20	HKED	
COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)ccc2c1	734080918	ADFOSFBLDJGBGP-UXVZESDLSA-N	411.486	5.257	30	20	HKED	
Cc1ccccc1COc1c(C)cc(CNCc2ccc(OCC#N)cc2)cc1C	734842949	DIOIKBDQEMKJCM-UHFFFAOYSA-N	400.522	5.383	30	20	HKED	
N#C[C@H](C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1nc2cc(C(F)(F)F)ccc2s1	734965485	LIRJSDFVJZQOPP-GRYCIOLGSA-N	422.378	5.573	30	20	HKED	
N#CCc1ccc(OCc2cccc(NC(=O)/C=C/c3ccnc4ccccc34)c2)cc1	735430573	DCPNEKFCKQHIME-JLHYYAGUSA-N	419.484	5.532	30	20	HKED	
N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(OC(F)F)c(Cl)c3)C2=O)cc1	735704200	SUVHXIIUJFMOFO-CHHVJCJISA-N	422.865	5.219	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1c(Cl)nc2ccccn12	737446502	UNNSTQVOPOEXRH-MDZDMXLPSA-N	415.255	5.170	30	20	HKED	
CCOc1cc(/C=C\C(=O)c2c(Cl)nc3ccccn23)ccc1OCC(F)(F)F	737447750	AWQRPCNBIIOWRP-VURMDHGXSA-N	424.806	5.224	30	20	HKED	
N#Cc1ccc(-c2cccc(CNC(=O)C[C@H](c3ccccc3)C(F)(F)F)c2)s1	739593996	BSEPFHCFJDYVNS-LJQANCHMSA-N	414.452	5.639	30	20	HKED	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1c(Cl)nc2sccn12	741843414	GDGYFXGSLKGXAK-VOTSOKGWSA-N	421.284	5.232	30	20	HKED	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2ccc(C#N)c(Cl)c2)cc1	743071785	WSDSAJLXHGWKEL-ZDUSSCGKSA-N	414.893	5.441	30	20	HKED	
C#CCOc1ccc(NC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc1	743152133	LJPYOJRGMYYHDH-LJQANCHMSA-N	414.505	5.599	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1	743214347	JSJVXJQBVDOBRQ-SFHVURJKSA-N	411.477	5.150	30	20	HKED	
C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1C(F)(F)F	744029810	WNUMCRVOXLXZSW-KBXCAEBGSA-N	410.395	5.310	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Br)c2C)cc1	744033666	UKQSFRROVXDTSO-UGSOOPFHSA-N	413.315	5.232	30	20	HKED	
Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-c1ccccc1	744061570	MGSMLEKZQXYYRX-LJQANCHMSA-N	408.486	5.177	30	20	HKED	
N#Cc1cccc(-c2nnc(COC(=O)c3ccccc3Sc3ccccc3)o2)c1	745409597	ZSGOVJJBANFPKS-UHFFFAOYSA-N	413.458	5.116	30	20	HKED	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	748944757	WPQMEDJPOPQATK-XMMPIXPASA-N	415.493	5.246	30	20	HKED	
C=CCC[C@@H](NC(=O)c1scnc1Br)c1ccc(C(F)(F)F)cc1	754377258	WLUSXAGNIFWUBZ-GFCCVEGCSA-N	419.266	5.362	30	20	HKED	
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(F)cc(F)c1	755525184	PLNKPBBKTKTJFL-UHFFFAOYSA-N	415.852	5.247	30	20	HKED	
N#CC1(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CCSCC1	757980649	QYUJIFNBGHFEFZ-UHFFFAOYSA-N	407.926	5.074	30	20	HKED	
N#C[C@@H](C(=O)CCCn1ccc2cc(Cl)ccc21)C(=O)Nc1ccccc1Cl	760967073	XWSMXZJPRBIPCE-INIZCTEOSA-N	414.292	5.076	30	20	HKED	
Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)OCC(C)(C)CC#N)c12	764834350	HJUYMMMXLYWIOH-UHFFFAOYSA-N	417.387	5.314	30	20	HKED	
O=C1/C(=C/c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCc2nc(O)ccc21	769614008	FZCRYRUAGZPMED-SDNWHVSQSA-N	422.824	5.354	30	20	HKED	
COc1ccc(-n2nc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2C)cc1	770645459	UHOHAPKXLBESPK-XMMPIXPASA-N	422.488	5.097	30	20	HKED	
N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2Cl)cc1	773733327	XSIGHZJYEONZMI-UHFFFAOYSA-N	415.802	5.222	30	20	HKED	
COc1ccc([C@@H](NCc2ccc(OCC#N)cc2)c2ccc(Cl)cc2)cc1C	779094097	WHHZJGSRYVZRMX-DEOSSOPVSA-N	406.913	5.439	30	20	HKED	
CC1(C#N)CCN(Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2=S)CC1	779878685	CGJFIBXZIBPBKA-UHFFFAOYSA-N	423.973	5.307	30	20	HKED	
C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCCN(C2CCC2)C1	781401947	OEYDKOBPVBSUIA-SWHJIRTISA-N	416.569	5.117	30	20	HKED	
C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	782485857	NFIVJDOEUCLNTD-JKGDOXCYSA-N	404.473	5.059	30	20	HKED	
C=CCCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)OCc1ccccc1	782669730	RPUBUVHLARIQGP-UHFFFAOYSA-N	421.566	5.646	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)[C@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1	795624897	FXFWWBQOSBHVNN-HXUWFJFHSA-N	412.367	5.041	30	20	HKED	
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cnn(C3CCCC3)c2)cs1	799895945	LITOLKRLXVEXFL-FLIBITNWSA-N	424.501	5.175	30	20	HKED	
C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(F)(F)CC1	800776942	FFXTUKADLSDUPO-OAHLLOKOSA-N	410.896	5.110	30	20	HKED	
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1	807624947	SVCYFJVOLYZPNN-HNNXBMFYSA-N	416.868	5.222	30	20	HKED	
C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C	812185851	DLKZHKPETYNNES-CQSZACIVSA-N	416.982	5.094	30	20	HKED	
CC(=NNc1ccnc(F)c1)c1sc(-c2ccccc2Br)nc1C	814902192	IASOTNDDXNAQSO-UHFFFAOYSA-N	405.296	5.251	30	20	HKED	
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	915087565	VIGBWLALQVBOIS-JOCHJYFZSA-N	404.897	5.792	30	20	HKED	
N#C[C@H](C(=O)COc1c(Cl)cccc1Cl)c1nc(-c2ccccc2)cs1	915102476	UHHULFJFVXWMDG-CYBMUJFWSA-N	403.290	5.372	30	20	HKED	
N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1	916623060	ZXRHLKUUXICHNX-OAQYLSRUSA-N	422.513	5.174	30	20	HKED	
N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc(Cl)ccc2o1	916887984	RJFWZTYKMPWBJO-CQSZACIVSA-N	420.824	5.362	30	20	HKED	
CCCc1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1	916904970	GYHZDRDMIOIRTL-KRWDZBQOSA-N	419.506	5.158	30	20	HKED	
CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1	916948747	XLENIFJOMAPLIH-SCLBCKFNSA-N	404.388	5.060	30	20	HKED	
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SC(F)F)cc2)cc1	916953569	DEYZUVFSWNABOW-ACJLOTCBSA-N	402.466	5.476	30	20	HKED	
Cc1ccc(C)c(OCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	917044243	RSCHPANGSYUYAV-OAHLLOKOSA-N	418.440	5.577	30	20	HKED	
CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)c1cc2ccccc2o1	919904467	ODECRGNGFFXFGF-DVECYGJZSA-N	423.516	6.703	30	20	HKED	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	920103873	FSQFYDCMNMKIIG-FZKQIMNGSA-N	412.411	5.581	30	20	HKED	
CCOc1cc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)cc(Cl)c1O	920481059	UFRNSEKNSGESTO-FPYGCLRLSA-N	400.780	5.282	30	20	HKED	
N#C[C@@H](C(=O)CCn1ccc2ccccc21)c1nc(-c2c(F)cccc2F)cs1	920804013	IRRBSMPPPHULBO-HNNXBMFYSA-N	407.445	5.310	30	20	HKED	
N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5s4)CCC3)cc2)CC1	1787880172	DAKOEYFACCKNLR-UHFFFAOYSA-N	421.547	5.014	30	20	HKED	
C=CCN(C(=O)c1cc2ccccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	7724809	ISUCLOUCFXIPDH-UHFFFAOYSA-N	405.435	5.297	30	20	HKED	
N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1Cl	16260952	MSVHRECDWXQSJI-UHFFFAOYSA-N	417.774	5.670	30	20	HKED	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)/C=C/c2ccccc2C#N)c1	23193814	KUFUWQFPWJIALA-APHAIJBRSA-N	423.516	5.320	30	20	HKED	
C[C@@H](Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C(=O)Nc1ccccc1C#N	28623159	NBAVQLBRSZDJKN-MRXNPFEDSA-N	421.447	5.190	30	20	HKED	
Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1	41552353	IWWXDQYUXVQZCB-KRWDZBQOSA-N	412.415	5.208	30	20	HKED	
COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC	46861776	BYYWFWPCRHTTCZ-LJQANCHMSA-N	406.869	5.265	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3oc(Br)cc3C)n2)cc1	51154779	DCBFZGKOVCKLQK-CYBMUJFWSA-N	401.285	5.273	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccoc1C	60384048	UVIMZTIKTRCSOL-NVXWUHKLSA-N	424.570	5.665	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)NCCCCOCc3ccccc3)cc2)cc1	65374847	IQRWOQUDVZPONV-UHFFFAOYSA-N	415.493	5.469	30	20	HKED	
Cc1ccc2nc(-c3ccc(NC(=O)CSc4cc(C#N)ccn4)cc3)sc2c1	71918401	QQVDMWBIJGJHKM-UHFFFAOYSA-N	416.531	5.269	30	20	HKED	
COc1cc(/C=C(\CCCC(=O)O)c2nc3ccccc3s2)ccc1OCC#N	196484901	PFBANCLUYVJRPS-DTQAZKPQSA-N	408.479	5.003	30	20	HKED	
Cc1ccc(CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)s1	303348790	DPROPSKKYJJGCA-INIZCTEOSA-N	401.601	5.157	30	20	HKED	
C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ncc(Br)cc1F	427863122	XYIMYMHJBNOXNQ-CABCVRRESA-N	424.317	5.934	30	20	HKED	
CC(C)(c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1)C(F)(F)F	428536321	LDFZUHBJMAJDDM-UHFFFAOYSA-N	412.459	5.916	30	20	HKED	
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	432842908	XLALBYSBMKPMOG-IBGZPJMESA-N	413.905	5.462	30	20	HKED	
CCCc1c(NC(=O)c2cc(C(C)C)c(O)cc2C)cnn1-c1cccc(C#N)c1	436654617	BCZPBRLNAUXSFD-UHFFFAOYSA-N	402.498	5.086	30	20	HKED	
N#Cc1ccc(CSCC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc1	460519547	HGKZQHVZVGEPBP-UHFFFAOYSA-N	404.457	5.006	30	20	HKED	
COc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc12	469307611	ZFGBWXYVTJMSFM-GOSISDBHSA-N	413.521	5.604	30	20	HKED	
COc1ccc(F)cc1CC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1	474274671	NRTSWJMUUVKSIQ-OAHLLOKOSA-N	423.328	5.206	30	20	HKED	
C=C(C)[C@H](NC(=O)c1cccc(OCc2c(C)noc2C)c1)c1ccc(F)c(F)c1	475688896	GUQMJSMRTDMRRK-QFIPXVFZSA-N	412.436	5.196	30	20	HKED	
C=CCOc1ccccc1C(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1	480779122	PDCQDUMTBLQDNM-GOSISDBHSA-N	415.493	5.386	30	20	HKED	
C=C(C)Cn1c(SCc2cc(-c3ccc(C)cc3)no2)nnc1-c1ccncc1	481380434	YTNFAPSGEBDMKR-UHFFFAOYSA-N	403.511	5.172	30	20	HKED	
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F	482145761	UWUXVJXIDWGGMP-SFHVURJKSA-N	407.823	5.213	30	20	HKED	
Cc1noc(C)c1Cc1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1	482771807	KKZPKJXNRRJVIB-UHFFFAOYSA-N	406.829	5.250	30	20	HKED	
C=C(C)[C@H](NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(F)c(F)c1	483286283	QEFFVAZWCPTDTE-JXFKEZNVSA-N	406.498	5.034	30	20	HKED	
CCc1c(C)sc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)c1C#N	484348106	GFKPFWMXHBSZMZ-AWEZNQCLSA-N	405.523	5.287	30	20	HKED	
C=CCn1cccc1C(=O)Nc1nc(C)c(-c2nc3ccccc3n2C(F)F)s1	488575706	UGSVCPASXZRXKT-UHFFFAOYSA-N	413.453	5.103	30	20	HKED	
N#CCc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)c1	489254975	PYUPBVHMHLKJGN-OAQYLSRUSA-N	423.285	5.174	30	20	HKED	
C=CCOc1ccc(-c2nnc(SCc3coc(-c4ccc(C)cc4)n3)o2)cc1	489763915	NYGJFQDAIDONHC-UHFFFAOYSA-N	405.479	5.557	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)cc2)c1	489826456	DRNAGLUIMUZQES-HYBUGGRVSA-N	413.477	5.250	30	20	HKED	
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@](C)(C#N)C(C)(C)C	499472125	CTXZUDPZYLZKBB-FQEVSTJZSA-N	421.925	5.160	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)COCc1ccccc1	503964573	RNNPEMQHXMETKK-UHFFFAOYSA-N	415.493	5.236	30	20	HKED	
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NC3CCCCC3)n2)o1	504548049	PMTBGNWKKKEZIV-UHFFFAOYSA-N	423.460	5.082	30	20	HKED	
N#Cc1cccc(F)c1CC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F	508159966	RLMKSDXAMMPGFE-UHFFFAOYSA-N	414.358	5.690	30	20	HKED	
COc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)cc1	508369007	DKEBMRQHGOJGRZ-OAHLLOKOSA-N	423.929	5.132	30	20	HKED	
C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](c2nccs2)C1	508866426	ZYWZBWQNWTXCDR-MOPGFXCFSA-N	423.586	5.061	30	20	HKED	
N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1nc2ccccc2o1	509551812	ARIXIXDMILRYKO-QGZVFWFLSA-N	424.485	5.291	30	20	HKED	
COc1ccccc1NC(=O)[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(C)C	510219757	ICKGRESJTVZPJA-JOCHJYFZSA-N	417.534	5.384	30	20	HKED	
C[C@H](Cc1cccs1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1	511318940	IDZLNHATGXSTFR-QGZVFWFLSA-N	405.523	5.146	30	20	HKED	
Cc1ccccc1-n1nc(C)c(CN(C)Cc2cccc(OCCCC#N)c2)c1C	511837834	JMTLEVISCNXZAS-UHFFFAOYSA-N	402.542	5.112	30	20	HKED	
N#CC[C@@H](CC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)c1ccccc1	512358548	SUANVLJLOAAGGV-LAUBAEHRSA-N	404.407	5.190	30	20	HKED	
C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1	516102175	VBLRQAKNMQVRJS-UHFFFAOYSA-N	421.459	5.207	30	20	HKED	
N#C[C@H](C(=O)c1sccc1OC(F)F)c1nc(-c2c(F)cccc2F)cs1	517952204	NSLPRLFKOYXHDF-MRVPVSSYSA-N	412.389	5.241	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1	518522998	TTYMVQNZWAZAMH-XLIONFOSSA-N	404.963	5.267	30	20	HKED	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1	523884949	ADYAHIXKHOWTSZ-UHFFFAOYSA-N	423.944	5.094	30	20	HKED	
Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1	525747684	HHKYRTMZJBIMLM-XMMPIXPASA-N	413.477	5.264	30	20	HKED	
N#C[C@H](C(=O)c1c(-n2cccc2)sc2c1CCC2)c1nc2ccccc2n1C(F)F	534693042	XNMWYPPNGMTEQT-CQSZACIVSA-N	422.460	5.262	30	20	HKED	
C=C[C@@H](CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)c1ccccc1	536123417	SPXWQHLSISRJJK-IBGZPJMESA-N	402.469	5.305	30	20	HKED	
CC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1	538130605	FMAFCCWMEVRVBW-YJBOKZPZSA-N	401.963	5.271	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1[C@@H](C)C1CC1	540735231	BJJRJRIGOTXXIG-KKSFZXQISA-N	418.928	5.724	30	20	HKED	
N#Cc1ccc(-n2ccc(NC(=O)c3occc3CSc3ccccc3)n2)c(F)c1	542988184	HHLAVRWRSDQKHK-UHFFFAOYSA-N	418.453	5.021	30	20	HKED	
COc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	543961530	WIPFVRZGLHMVSJ-MOPGFXCFSA-N	413.521	5.302	30	20	HKED	
N#CCSc1ccccc1NC(=O)CS[C@H](c1ccccc1)c1ccc(F)cc1	548950269	NKARHFNMVYOPOB-HSZRJFAPSA-N	422.550	5.903	30	20	HKED	
Cc1ccc(-c2noc([C@@H](C)NC(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1F	551846988	CICBFFMVPIHGIW-CYBMUJFWSA-N	420.469	5.070	30	20	HKED	
N#CCCN(C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccc(F)cc1	553944127	DPTGBZAQTBBHNB-UHFFFAOYSA-N	410.452	5.239	30	20	HKED	
N#Cc1ccc(-c2nnc(CS[C@@H](c3ccccc3)c3ccc(F)cc3)o2)cc1	554874246	HIJBQXAQHKMXQM-QFIPXVFZSA-N	401.466	5.770	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1CC(C)(C)C	556504766	RHSHGLGHXKTRQM-OAQYLSRUSA-N	405.542	5.878	30	20	HKED	
C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H](C)c1ccccc1C(F)(F)F	556956242	XYQODUZPEHFGNJ-KBPBESRZSA-N	404.407	5.056	30	20	HKED	
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(CCN2CCCCC2)cc1	558297851	VNWOOMAXXFPJDX-UHFFFAOYSA-N	423.605	5.103	30	20	HKED	
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	559859142	LQPHAWONRJZJHR-FXAWDEMLSA-N	405.523	6.409	30	20	HKED	
N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nc(-c2ccc(Cl)cc2)n[nH]1	561102938	BGDZJNCWJXDKSM-UHFFFAOYSA-N	417.803	5.113	30	20	HKED	
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1	570485028	QCDZZLJAYVNEHA-NRFANRHFSA-N	411.839	5.137	30	20	HKED	
N#Cc1cccc(-c2cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)on2)c1	576580519	BZLFGFXXMHORDT-UHFFFAOYSA-N	414.852	5.109	30	20	HKED	
COCC[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	585745440	UNADFDCPLCYTQV-ORAYPTAESA-N	406.313	5.003	30	20	HKED	
N#C[C@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc2cc(F)ccc2s1	592973282	BUAIFYOBODIFKN-LJQANCHMSA-N	402.450	5.504	30	20	HKED	
N#C[C@H](C(=O)c1ncoc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	601618228	UXFPAYSBTBNYOG-MRXNPFEDSA-N	405.866	5.609	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)c3csc(Cc4ccccc4)n3)cn2)c1	603623245	OZKNYCUPEBMOLI-UHFFFAOYSA-N	412.474	5.045	30	20	HKED	
N#C[C@@H](C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1nc2cc(F)ccc2s1	603627390	CRNOLPYXTMMBRO-HNNXBMFYSA-N	420.469	5.096	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1C1CCCC1	609078965	FFOKXNFPSXNOSY-XMMPIXPASA-N	403.526	5.632	30	20	HKED	
Cc1ccc(Oc2ccc(OCC(=O)Nc3ccccc3SCCC#N)cc2)cc1	609375450	RVFKMTAGJADHBU-UHFFFAOYSA-N	418.518	5.811	30	20	HKED	
Cc1ccccc1COc1ccccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N	609378263	YZFOFKFRYYWJPB-SFHVURJKSA-N	416.546	6.078	30	20	HKED	
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1cccc(Br)c1	609386965	ATGFRUQPNAWBKI-ZIAGYGMSSA-N	418.360	5.140	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cc2)c1	609426846	LNHQFKAVDCVKQM-UHFFFAOYSA-N	411.486	5.655	30	20	HKED	
COc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1	609431598	QIEHTTMWEPDLAB-GFCCVEGCSA-N	405.317	5.104	30	20	HKED	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cnn(C(C)C)c2)cc1	609573003	LWJAPXYLBXUXNU-INIZCTEOSA-N	419.485	5.019	30	20	HKED	
CCC(CC)CN(CCC#N)C(=O)c1cc(Br)sc1Br	609731669	HMTAXUDGGWFZFA-UHFFFAOYSA-N	422.186	5.065	30	20	HKED	
C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(C#N)c1	610324899	XJKIQXAHXTXCMJ-OAHLLOKOSA-N	402.410	5.141	30	20	HKED	
N#Cc1cccc(-c2csc(NC(=O)c3cccnc3Sc3ccccc3)n2)c1	611052255	FXYVKMVKIIJCCF-UHFFFAOYSA-N	414.515	5.480	30	20	HKED	
Cc1cc(C)c(-c2nnc(SCc3ccc(C#N)cc3Br)o2)c(C)c1	611492118	ATBLTDINRSJODH-UHFFFAOYSA-N	414.328	5.588	30	20	HKED	
N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccc2ccccc2n1	613292576	OSRXTNNWRRQKBL-SFHVURJKSA-N	421.485	5.034	30	20	HKED	
CC(C)n1ncc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cnc21	613319887	PDJHFYLPECHQAW-KRWDZBQOSA-N	421.913	5.279	30	20	HKED	
Cc1nn(C)c2sc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12	613404999	SDXKZDDHJBJFHN-LLVKDONJSA-N	420.441	5.062	30	20	HKED	
C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(O)cc1	642720185	CXUONRIJPWYJBW-VGSWGCGISA-N	422.504	5.180	30	20	HKED	
Fc1cc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1Br	674005229	AZGMNHOEWSMVKL-UWVGGRQHSA-N	408.155	5.151	30	20	HKED	
O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1	674430608	HDEPFZLUPGDYEW-KKUMJFAQSA-N	412.349	5.049	30	20	HKED	
CCOc1cc(C=Nn2cnc3ccccc32)ccc1OCCOc1cccc(C)c1	725849237	XDGQZAOSIQVXIC-UHFFFAOYSA-N	415.493	5.083	30	20	HKED	
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2ccc(Cl)s2)n1	726756118	YZVHAGGGWPGBIB-UHFFFAOYSA-N	424.938	5.274	30	20	HKED	
CCCCCCn1c(SC[C@H](C#N)CCC#N)nc2sc3c(c2c1=O)CCC3	726796554	DVDLHOOOFVZLDF-HNNXBMFYSA-N	414.600	5.063	30	20	HKED	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S	726801097	DNSHSHIARUDEFH-MURKYSCBSA-N	408.548	5.332	30	20	HKED	
CCOc1cccc(C=NNc2ccc(OCC(F)(F)F)cc2)c1OC(F)F	727261884	JQYARZFJFASQET-UHFFFAOYSA-N	404.335	5.074	30	20	HKED	
C[C@@H](Oc1cccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)c1)C(=O)O	727685144	BNEPYBPTLGNRTL-YYTPVVGHSA-N	423.465	5.014	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(SC(F)F)cc1	727997275	XYQNJKKTJAMHCO-UHFFFAOYSA-N	424.472	6.013	30	20	HKED	
O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1ccc(OC(F)F)cc1OC(F)F	728157458	WOKYSLIPSVRYRF-GORDUTHDSA-N	414.742	5.087	30	20	HKED	
C#Cc1cccc(N(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)C(C)C)c1	728246798	IILJJUSVFLZMMQ-UHFFFAOYSA-N	411.427	5.236	30	20	HKED	
N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc2cc(F)ccc2s1	730421898	RHKRKMYHAXIPOH-INIZCTEOSA-N	423.494	5.200	30	20	HKED	
CCc1nc(CN2CCC(C/N=C/c3cc(Cl)cc(Cl)c3O)CC2)cs1	731937015	DPGKCZPIFIDOKJ-LSHDLFTRSA-N	412.386	5.049	30	20	HKED	
FC(F)Oc1cccc(Cl)c1C=NNc1nc(C(F)(F)F)nc2ccccc12	732923982	NMWHFMIYRCUQRM-UHFFFAOYSA-N	416.737	5.349	30	20	HKED	
CCN(C(=O)Cc1ccc(Cl)cc1Br)[C@@H](C)c1ccc(C#N)cc1	733218522	OOTMWCBUZLBZFJ-ZDUSSCGKSA-N	405.723	5.126	30	20	HKED	
Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)sc21	734083754	RGUOSAMDIGOZNQ-MRXNPFEDSA-N	414.515	5.402	30	20	HKED	
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1	734934207	FMYBLMFLKRUQJH-OXQOHEQNSA-N	411.571	5.233	30	20	HKED	
Cc1cccc(-n2c(-c3ccccc3)nn(CN(CC#N)C3CCCC3)c2=S)c1	738256669	RNTCSEUAJZNLFJ-UHFFFAOYSA-N	403.555	5.104	30	20	HKED	
Cc1cccc2c(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c12	741430931	NSBVXNRHXIWBJE-OAHLLOKOSA-N	413.424	5.524	30	20	HKED	
N#CCOc1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)c1	741542496	VTQHCJAINIRVQH-UHFFFAOYSA-N	414.248	5.335	30	20	HKED	
CCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)c1ccc(C#N)cc1	742223117	NHVPXFNJRIHKPZ-UHFFFAOYSA-N	408.457	5.307	30	20	HKED	
CC(C)(C)c1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)o2)cc1	744028463	LALLSSGIQOHRHU-KRWDZBQOSA-N	420.896	5.859	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(c4ccccc4)CC3)n2)cc1	744062626	TYPRRCPYIPIROS-ZOGYUUGASA-N	416.546	5.969	30	20	HKED	
C[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Cl)s1	750695563	ZKPVEOYRWVNMPW-ZJUUUORDSA-N	408.882	5.783	30	20	HKED	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cn1nc(-c2cccs2)n(C2CC2)c1=S	751933626	KWKBDYGSMUBBOR-RBUKOAKNSA-N	421.595	5.207	30	20	HKED	
CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1C#N	752302007	CVVANSIXWZTIJA-GFCCVEGCSA-N	420.391	5.028	30	20	HKED	
Cc1nc2sccn2c1C=NO[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	753822566	SFPMSRALDGTXSM-LLVKDONJSA-N	421.309	5.778	30	20	HKED	
C[C@H](C#N)CN(Cn1nc(-c2ccccc2)n([C@@H](C)c2ccccc2)c1=S)C1CC1	753988345	PIRGEJFHIZOKEA-MOPGFXCFSA-N	417.582	5.272	30	20	HKED	
COc1ccccc1-c1ccc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)cc1	758024023	BDFAMFLRMHXWNN-DHZHZOJOSA-N	407.516	5.364	30	20	HKED	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F	766845940	HKJYQVVSIHYLBA-YGNAEDSMSA-N	420.246	6.018	30	20	HKED	
C=C(C)C[C@H](C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1	767696258	IHUIOFPBLVIDRE-KRWDZBQOSA-N	400.544	5.398	30	20	HKED	
O=C1/C(=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCc2nc(O)ccc21	769616347	WWMXDLPNGWMIDJ-KAMYIIQDSA-N	422.824	5.354	30	20	HKED	
CC(C)Oc1ccc(NCc2ncc(-c3ccccc3Br)o2)cc1C#N	771879402	ANRDZOOUNMZXCM-UHFFFAOYSA-N	412.287	5.375	30	20	HKED	
CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1	775486586	CWHIVPHJSJCLEM-PKTZIBPZSA-N	415.493	5.103	30	20	HKED	
Cc1ccc(SC2CCCC2)c(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1	776711158	HFDSIPLHIAVMIW-JOCHJYFZSA-N	406.551	5.115	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	776848115	DRUVUADDWPJIRJ-INIZCTEOSA-N	412.555	5.803	30	20	HKED	
O=C1CSc2sc(C(=O)/C=C/c3ccc(-c4nc5ccccc5s4)o3)cc2N1	779462167	ISILYNXKSOXGPY-FNORWQNLSA-N	424.528	5.558	30	20	HKED	
Cc1csc(Sc2ccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)n1	780515469	YIQUZLABSWYXQR-AWEZNQCLSA-N	410.524	5.538	30	20	HKED	
Cc1ccc(F)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1Br	782548079	ZWWLGSBAWRSRFG-SFHVURJKSA-N	423.285	5.804	30	20	HKED	
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21	786310679	KSBWDHNTKHFBNZ-NKKJXINNSA-N	416.565	5.776	30	20	HKED	
Cc1cccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)c1	786541595	QAJWKIRWUGNZMX-OAQYLSRUSA-N	400.478	5.017	30	20	HKED	
C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)n1	788855083	LQMBYVBYQOOOQG-HSZRJFAPSA-N	420.582	5.022	30	20	HKED	
CCN(Cc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1)C(=O)OC(C)(C)C	793039331	WLPOSULUVQSGRS-NRFANRHFSA-N	421.541	5.470	30	20	HKED	
Cc1nc(SC(F)F)sc1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	796517984	MYPBUNJXBTVLPZ-MRVPVSSYSA-N	413.540	5.005	30	20	HKED	
Cc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c(Br)c1	797567302	GGTCGDSWEGLUHV-CHWSQXEVSA-N	421.360	5.155	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)COCc3ccccc3)n2)cc1	800387877	WDUGFALXHWBQCH-FQEVSTJZSA-N	404.535	5.538	30	20	HKED	
C#C[C@H](NC(=O)Nc1cccc(COCc2ccco2)c1)c1ccc(Cl)cc1F	806216707	XOQOHRAYKBDNRJ-NRFANRHFSA-N	412.848	5.285	30	20	HKED	
CC(/C=C/C(=O)c1ccc(N2CCC(O)CC2)cc1)=C\c1ccccc1OC(F)F	811689643	ILUBEFHJBTTXJL-LOKZEDNVSA-N	413.464	5.092	30	20	HKED	
CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1c(F)cccc1N1CCOCC1	811691162	JYYMEJNSTTXDJR-WXJFLGMWSA-N	417.427	5.106	30	20	HKED	
COc1cc(N[C@H](C)c2cccc(C#N)c2)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC	864003063	AVKIWUIGTHKJJY-FGTMMUONSA-N	421.541	5.152	30	20	HKED	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccs1	916137335	VIZSFKFIRHJIBI-QPJJXVBHSA-N	404.241	5.575	30	20	HKED	
FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2ccc(Cl)cc2Cl)cc1	916333249	GVSDNLVHUZPCFK-UHFFFAOYSA-N	415.252	5.024	30	20	HKED	
Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)oc2ccc(Cl)cc12	916916671	ZKKZCXJLNJILCS-GOSISDBHSA-N	402.837	5.509	30	20	HKED	
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1	916973073	TZKSZPQGOBTAPA-KDOFPFPSSA-N	412.967	6.129	30	20	HKED	
CCCOc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCCC	920105618	BUVQWRANQUULAV-IBGZPJMESA-N	418.493	5.259	30	20	HKED	
COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(C(C)C)ccc3C)n2)cc1	920139576	VHWKIUQOJGRTFR-HXUWFJFHSA-N	420.534	5.506	30	20	HKED	
CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1	1786395214	SJGDVCUUGWOFTN-OAQYLSRUSA-N	422.550	5.135	30	20	HKED	
Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccccc2)c(C)s1	10831421	BTCRKWGYIYQGSE-UHFFFAOYSA-O	401.964	5.357	30	20	HKED	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21	14808888	OXNNXCIFTRUMGI-UHFFFAOYSA-N	422.937	5.084	30	20	HKED	
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2ncnc3sc(C)c(C)c23)c1	23406332	UYXOHOQGCGUHBN-QGZVFWFLSA-N	424.595	5.352	30	20	HKED	
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)s3)n2)cc1	46706713	ZFYLJRVJEXDXQH-GFCCVEGCSA-N	403.326	5.433	30	20	HKED	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1Cl	46861797	OROZKWZEVSOCQU-INIZCTEOSA-N	417.242	6.179	30	20	HKED	
Cc1cc([C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)nc(C)n1	49407505	SMAJSJUPRWLBRW-OAHLLOKOSA-N	412.312	5.075	30	20	HKED	
C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F	60738351	ATCUTUQTXDFJEB-UHFFFAOYSA-N	414.767	5.013	30	20	HKED	
N#Cc1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1	69894606	XXLYGUQCYBOBDZ-VWLOTQADSA-N	416.569	5.247	30	20	HKED	
N#CCN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccccc1	215740376	QPEFVDVBOBUXES-UHFFFAOYSA-N	415.543	5.759	30	20	HKED	
CCN(CC)[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccsc1	303348177	DOTCPEZMDPXYNP-LPHOPBHVSA-N	416.616	5.204	30	20	HKED	
COc1ccc(Sc2ccc(NC(=O)N(CCC#N)Cc3ccco3)cc2)cc1	426086092	SFIYIYIGKZXJLW-UHFFFAOYSA-N	407.495	5.387	30	20	HKED	
CC(C)CCN(CCC#N)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	429047560	OYLMZWPLOMHZDQ-UHFFFAOYSA-N	412.921	5.386	30	20	HKED	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1	430594430	VUQJHPVIHMDRMQ-GFCCVEGCSA-N	403.573	5.285	30	20	HKED	
CO[C@@]1(C)CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	431901767	JURGIHFAMAZIIJ-OFNKIYASSA-N	411.933	5.418	30	20	HKED	
C=CCC[C@H](NC(=O)N(CC)CC1CCN(c2ccccn2)CC1)c1ccccc1	435101203	AQJLSIVSHWCNQH-QHCPKHFHSA-N	406.574	5.037	30	20	HKED	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1SCc1ccccc1OC	436385572	ISFPUIPZUCDIPS-VGSWGCGISA-N	412.555	5.090	30	20	HKED	
Cc1csc([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)n1	438063354	QCKBRUOOMNUUCJ-HXUWFJFHSA-N	404.495	5.388	30	20	HKED	
N#CCC[C@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1	438851787	ZIJNSJSJVDQQKL-HOTGVXAUSA-N	422.476	5.096	30	20	HKED	
CCCc1c(NC(=O)c2[nH]c3ccccc3c2Cl)cnn1-c1cccc(C#N)c1	440078820	OAXGXGPKBQLGOD-UHFFFAOYSA-N	403.873	5.083	30	20	HKED	
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ncccc1Oc1ccccc1	440744834	DCDYGIHWKVYLJE-UHFFFAOYSA-N	422.444	5.494	30	20	HKED	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(CCC(C)C)c1C	440763194	JVCAGTOKCNTTRV-UHFFFAOYSA-N	416.525	5.249	30	20	HKED	
Cc1ccc(-c2nnc(NC(=O)c3cn(CCCC#N)c4ccccc34)s2)c(C)c1	443988056	KJBCWUJEBBAWQG-UHFFFAOYSA-N	415.522	5.333	30	20	HKED	
N#CCCCn1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c2ccccc21	444176146	NRMNAXMHNBZTID-RUZDIDTESA-N	410.521	5.794	30	20	HKED	
C[C@H](NCCCCC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)cs1	444684165	IKOHOZGJIIESID-AWEZNQCLSA-N	406.393	5.943	30	20	HKED	
CC(C)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cnc2ccccc2c1	448457676	BKGQBWWUWRZAGM-UHFFFAOYSA-N	408.461	5.349	30	20	HKED	
C=CCn1c(SCc2ccc(-n3ccnc3)cc2)nnc1-c1ccc(Cl)cc1	448550111	PORGUMXQRPJVQY-UHFFFAOYSA-N	407.930	5.263	30	20	HKED	
N#Cc1ccccc1Oc1ccc(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1Cl	461327458	YLZWCUFLONCXMM-YADHBBJMSA-N	422.912	5.178	30	20	HKED	
O=C(Nc1ccc(NCCOCC(F)(F)F)c(C(F)(F)F)c1)c1ccccc1F	462239213	XRCLEAKQYUGHRJ-UHFFFAOYSA-N	424.316	5.088	30	20	HKED	
CC[C@H](c1ccccc1)[S@@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	462992395	PEXPQDNDYNLYOI-RNAHPLFWSA-N	419.546	5.546	30	20	HKED	
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	465075278	ULDVLWTWMLXISV-FQEVSTJZSA-N	414.505	5.375	30	20	HKED	
C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(-n2cccn2)c1	467706735	XSGPFNCHVFGIEH-SFHVURJKSA-N	423.476	5.419	30	20	HKED	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	473855425	ARJLRDSQUOQQTB-INIZCTEOSA-N	421.312	5.077	30	20	HKED	
CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1	475016457	MJTPQCQPXWOWOV-UHFFFAOYSA-N	409.489	5.385	30	20	HKED	
N#Cc1ccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1	475059121	HWIZXGFWGWQOCX-INIZCTEOSA-N	415.337	5.070	30	20	HKED	
Cc1nnc(Sc2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)c(C)c2)s1	475531915	VCGFSNJVRHTHDG-KRWDZBQOSA-N	408.552	5.332	30	20	HKED	
C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1	475543740	FTZSNPBVUZFPRM-UHFFFAOYSA-N	419.500	6.187	30	20	HKED	
N#CC[C@@H](CC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1ccccc1	476853504	QZSOIYFFFLGCAB-AZUAARDMSA-N	412.917	5.314	30	20	HKED	
C=CCn1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nnc1-c1cccc(C)c1	477434301	GFYKANDQFADCTO-INIZCTEOSA-N	403.511	5.343	30	20	HKED	
C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)CC1	477485151	QWCYTSPOXCOIAC-AREMUKBSSA-N	413.565	5.269	30	20	HKED	
C=C(C)[C@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(F)c(F)c1	480627919	VQCRNAXRTFXWTG-FQEVSTJZSA-N	415.465	5.439	30	20	HKED	
N#Cc1cc(F)c(C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)c(F)c1	484832588	IMLFOKJOLACPNN-UHFFFAOYSA-N	422.822	5.140	30	20	HKED	
C=CCn1c(SC[C@@H](OC(C)C)c2ccccc2)nnc1-c1ccccc1OC	488242926	JUDNTOYFGGIOMD-OAQYLSRUSA-N	409.555	5.398	30	20	HKED	
C[C@H](CCCC(F)(F)F)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1	494566425	PUGYOJSEJGJMGC-CQSZACIVSA-N	418.419	5.053	30	20	HKED	
CN(c1ccccc1)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cn1	496594746	SNQWNNNYMOVQEX-FQEVSTJZSA-N	410.502	5.463	30	20	HKED	
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ncc(Cl)cc1Cl	499487906	ZILVDSZRDNHHPR-QMMMGPOBSA-N	420.243	5.398	30	20	HKED	
N#Cc1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)s1	502070937	NCUFOPAIBBZTGN-UHFFFAOYSA-N	406.854	5.261	30	20	HKED	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	503617143	JIVOHPPXQFMEJF-UHFFFAOYSA-N	424.507	5.344	30	20	HKED	
Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nnn1-c1ccccc1Cl	504311145	GCPAJILPFSHLSY-UHFFFAOYSA-N	419.897	5.082	30	20	HKED	
C[C@@H](CC#N)N(C)C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1	505148560	JWBGCZVQEHNUBX-LBPRGKRZSA-N	419.337	5.282	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)c1cc(C)nc2ccc(Br)cc12	508765962	VJGCPADXDUESCJ-UHFFFAOYSA-N	401.329	5.196	30	20	HKED	
N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1	510020687	NRXYIXSOTUAKQS-UHFFFAOYSA-N	423.822	5.306	30	20	HKED	
CC1=NN(c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)CC1	510238926	IUANHLYGXVDKEY-UHFFFAOYSA-N	410.477	5.497	30	20	HKED	
Cn1c([C@H](C#N)C(=O)c2ccccc2OCc2ccccc2Cl)nc2ccccc21	513692983	YAHJKSXFESLXKO-GOSISDBHSA-N	415.880	5.296	30	20	HKED	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(O)nc4cc(F)ccc34)c2C#N)C1	515333896	GVSCUTTYQRSZDS-GFCCVEGCSA-N	423.513	5.416	30	20	HKED	
C=CCN(C(=O)CCc1ccc(OC(F)F)cc1)c1nc(-c2ccccc2)cs1	517306426	QKGAKJRGIIREQA-UHFFFAOYSA-N	414.477	5.563	30	20	HKED	
N#Cc1cccc(Oc2ccc(NC(=O)Cc3coc(-c4cccs4)n3)cc2)c1	517511848	UQZKTTLYANIEIK-UHFFFAOYSA-N	401.447	5.248	30	20	HKED	
C=CCOc1ccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1	517548032	DEJIFBRIXGOCPU-DEOSSOPVSA-N	401.485	5.271	30	20	HKED	
N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc2)cc1	517645705	GKNHEMYINIGCDY-UHFFFAOYSA-N	419.387	5.270	30	20	HKED	
C=CCn1c(S[C@H](C)C(=O)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1	518037291	NUBPPCSIQZJBBD-GFCCVEGCSA-N	419.884	5.426	30	20	HKED	
CCSCc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	518176548	UEZARUYWZJDYIJ-MRXNPFEDSA-N	423.563	5.019	30	20	HKED	
C[C@@H]1CCc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)csc2C1	518516786	YKDPXISAQZFMRJ-CXAGYDPISA-N	403.532	5.358	30	20	HKED	
CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)o2)cc1	518709339	SWVZGMKYLUXGQI-OAQYLSRUSA-N	400.478	5.441	30	20	HKED	
C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1	519433171	VGNPMWFURYFKJT-OAGGEKHMSA-N	401.963	5.270	30	20	HKED	
C=CCN(C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1nc2c(s1)CCCC2	520323523	IKWHDCCSSRUFNN-CVEARBPZSA-N	406.473	5.363	30	20	HKED	
CCC(C)(C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1	521208837	GIXAASFSMJEHGI-UHFFFAOYSA-N	420.557	5.167	30	20	HKED	
Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(C#Cc2ccccc2)cc1	521409061	CKYDBVOJIWXPPL-UHFFFAOYSA-N	421.500	5.821	30	20	HKED	
CCC(CC)(CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)N[C@H](C)c1ccccc1	524151053	NPMTYFLNOGVAPO-LJQANCHMSA-N	406.574	5.519	30	20	HKED	
COc1ccc2nc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)ccc2c1	524389634	STPQBHQDSYORDV-UHFFFAOYSA-N	423.472	5.255	30	20	HKED	
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(C)c(C)cc4o3)n2)cc1	525860059	NPPHNQXXQGDSIO-SFHVURJKSA-N	402.475	5.672	30	20	HKED	
C[C@]1(c2ccccc2)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1	532362087	WADPDXFXRHXBPR-RUZDIDTESA-N	413.477	5.130	30	20	HKED	
Cc1ncc(-c2ccccc2)cc1NC(=O)c1occc1COc1cccc(C#N)c1	534810889	UQSMCJQZIJAPLU-UHFFFAOYSA-N	409.445	5.353	30	20	HKED	
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2ccc(F)c(Cl)c2)cc1C	540634306	QYSMMLZGMLBBPS-UHFFFAOYSA-N	410.880	5.150	30	20	HKED	
C[C@H](NCc1ccc(OCc2nccn2C)cc1)c1ccc(-c2cccc(C#N)c2)cc1	542942146	NSMDFUCCYWOLFU-FQEVSTJZSA-N	422.532	5.389	30	20	HKED	
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCOc3ccc(F)cc32)cc1	548707351	ACYMWDWPGKPYEJ-NRFANRHFSA-N	418.493	5.243	30	20	HKED	
C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](c2ccccc2)O1	553310601	FTUXJWZYHHTEJR-HOYKHHGWSA-N	413.477	5.344	30	20	HKED	
C[C@@H](NC(=O)N[C@H](C)c1ccc2n[nH]cc2c1)c1ccc(-c2cccc(C#N)c2)cc1	553993141	YWLNUSRZDVRTSU-IAGOWNOFSA-N	409.493	5.223	30	20	HKED	
FC(F)(F)C[C@H](N[C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1	554089341	VGVVRLBJGUWNMF-AGIUHOORSA-N	409.292	5.398	30	20	HKED	
C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc2n[nH]cc2c1	554481204	MVXUQVXEDOPGJE-CQSZACIVSA-N	415.428	5.249	30	20	HKED	
C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2ccsc2)C1	555270222	YXWZRUCLNMYXED-SFTDATJTSA-N	408.571	5.036	30	20	HKED	
CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C(C)C	558510531	DYYHLZTYQVBGGS-UHFFFAOYSA-N	418.501	5.365	30	20	HKED	
CN(C(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1)c1ccccc1	559802969	ITLISYDAEMTVJQ-UHFFFAOYSA-N	424.504	5.031	30	20	HKED	
C=C(C)COc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1	589382837	NIIMKEFZLBWBRV-UHFFFAOYSA-N	404.441	5.285	30	20	HKED	
Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1C(C)(C)C	603962112	DUGMNYPQXYCNQA-IBGZPJMESA-N	406.917	5.508	30	20	HKED	
Cc1nc(-c2cccs2)c(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)s1	603969426	SOFDBPFFVAACKR-UHFFFAOYSA-N	421.572	5.961	30	20	HKED	
COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2-c2ccccc2)cc1	603987312	MPTNEEDFODUIEC-QFIPXVFZSA-N	412.518	5.170	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2)cc1	604456693	DFODFXISBYGSSA-UHFFFAOYSA-N	416.462	5.033	30	20	HKED	
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(COC3CCCC3)cc2)cc1	606949299	YYLFKLUQETYZBM-UHFFFAOYSA-N	408.502	5.097	30	20	HKED	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCc2ccccc2)cc1	608919046	ZYRHFAZEZRYTFP-UHFFFAOYSA-N	413.521	5.257	30	20	HKED	
CN(Cc1ccsc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	609080893	WLTDTLPNVBQURQ-UHFFFAOYSA-N	411.914	5.516	30	20	HKED	
N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3F)C3CC3)cn2)cc1	609139201	CLSDQXKRUBNTOG-UHFFFAOYSA-N	420.419	5.220	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCSc1ccc(Cl)cc1	609439078	XJLNFHKDMSQIEW-AWEZNQCLSA-N	405.976	5.648	30	20	HKED	
CCNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1	609723580	HWGOBDVZRPFEHU-UHFFFAOYSA-N	419.868	5.006	30	20	HKED	
COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	610016178	IYILYIZBYHYUBI-LJQANCHMSA-N	413.477	5.381	30	20	HKED	
C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1cccc(C#N)c1	610318888	QZVBNUIPXWWQDY-HNNXBMFYSA-N	405.477	5.063	30	20	HKED	
C[C@@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1cccc(C#N)c1	610359195	GXFODUDVINUDOA-QGZVFWFLSA-N	404.897	5.211	30	20	HKED	
Cc1cc(-c2cc(C(=O)N[C@@H](C)c3cccc(C#N)c3)c3c(C)noc3n2)c(C)s1	610363481	XJBUOQIDPADTHE-ZDUSSCGKSA-N	416.506	5.239	30	20	HKED	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@H](C)c1cccc(C#N)c1	610366466	DMVYGMHEYSTVDP-GOSISDBHSA-N	405.501	5.502	30	20	HKED	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	611557362	MDWDQWIQAXMCDO-ZBFHGGJFSA-N	403.404	5.545	30	20	HKED	
C=CCN(Cc1cccs1)C(=O)Nc1ccccc1CN1CCc2ccccc21	615533387	DEECOFPQANRNAO-UHFFFAOYSA-N	403.551	5.531	30	20	HKED	
Cc1c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1C1CCCC1	618349590	MKKSFZDPEGKSCM-UHFFFAOYSA-N	402.458	5.010	30	20	HKED	
CC(C)c1noc(Cc2ccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2)n1	619817449	GCSSZEWBZPLRJS-UHFFFAOYSA-N	415.280	5.215	30	20	HKED	
O=C(Cc1ccccc1OC(F)F)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	622571676	DDVZBDAJDBWTTM-UHFFFAOYSA-N	411.273	5.089	30	20	HKED	
C=CCn1c(CCN2CCCCC2)nnc1SC(c1ccccc1)c1ccccc1	672388483	DZIMWGCAUDYDFY-UHFFFAOYSA-N	418.610	5.374	30	20	HKED	
O=C(CCCCCc1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	681651430	DFVIDBJGZWRQJC-HUUCEWRRSA-N	413.377	5.518	30	20	HKED	
COc1ccc(OC)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1	726478029	DWMZFBQIUJWEFZ-UHFFFAOYSA-N	419.506	5.485	30	20	HKED	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1	727233996	XEHPAMFGETUGPS-ZYHUDNBSSA-N	424.831	5.612	30	20	HKED	
CC(=NOCc1nnc(-c2ccc(Br)s2)o1)c1cc2ccccc2o1	727437939	VJIPDXVCNQJXRD-UHFFFAOYSA-N	418.272	5.248	30	20	HKED	
COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cccc(OCCCC#N)c3)s2)cc1	727975832	WRAQOTMSXZRABF-JYRVWZFOSA-N	418.518	5.706	30	20	HKED	
N#Cc1cc(F)ccc1COC(=O)c1csc(-c2cc(Br)cs2)n1	728624785	MAXFXMVNPGOAQU-UHFFFAOYSA-N	423.288	5.002	30	20	HKED	
CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3c(s2)CCCCCC3)ccc1OC	733228661	NBIGXWUZGITALA-SFHVURJKSA-N	412.555	5.027	30	20	HKED	
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(C4CC4)sc3c2)c1	733844680	UAKMVSAZDAOSCJ-QGZVFWFLSA-N	406.511	5.176	30	20	HKED	
C#CCOc1ccc(NC(=O)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1	733844752	BUIRZGWFEKXXQF-MRXNPFEDSA-N	421.522	5.022	30	20	HKED	
C=CC[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccncc1	735055512	FJULEJSWKBJJJA-NRFANRHFSA-N	403.869	5.446	30	20	HKED	
CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1C[C@H](OCC)C12CCCC2	740772854	WUGUGUVTMRPSJJ-OALUTQOASA-N	405.995	5.358	30	20	HKED	
COc1cc(C(=O)/C=C/c2ccccc2OCC(F)(F)F)ccc1OC(F)F	741851672	CWOVPCMOGCWNNZ-SOFGYWHQSA-N	402.315	5.134	30	20	HKED	
CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)c1	741933306	FEAIQNFNBRCFJW-DQEYMECFSA-N	412.533	5.400	30	20	HKED	
N#Cc1ccc(CSCC(=O)OCc2ccc(OCc3cccs3)cc2)cc1	746471609	KSHRUHXRKOLIIY-UHFFFAOYSA-N	409.532	5.175	30	20	HKED	
Cc1cc(/C=C/C(=O)c2cnn(-c3ccccn3)c2C)cc(C)c1OCc1ccccn1	748442215	QSOTWGMWNJXMSX-ZHACJKMWSA-N	424.504	5.063	30	20	HKED	
N#Cc1csc(/C=C2/CC3(CCOCC3)C/C(=C\c3cc(C#N)cs3)C2=O)c1	751517572	MFHFXHOSTUDARR-ZZDPWUPLSA-N	406.532	5.180	30	20	HKED	
CCOc1ccc([C@H](NC(=O)c2ccccc2OCC#N)c2cccc(Cl)c2)cc1	752860845	BBCSYACJCTYIQB-QHCPKHFHSA-N	420.896	5.160	30	20	HKED	
N#Cc1ccccc1N1CCC(NC(=O)CCCc2cc(Cl)sc2Cl)CC1	755406174	ICGXBOBKHWOMBJ-UHFFFAOYSA-N	422.381	5.034	30	20	HKED	
N#C[C@@H](C(=O)CCCc1csc2ccccc12)c1nc(-c2ccncc2)cs1	756245861	VZFVXZVOYKJOFJ-SFHVURJKSA-N	403.532	5.619	30	20	HKED	
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1-c1ccc(Cl)cc1	760391019	SECWTGGWKIOBGZ-KRWDZBQOSA-N	404.897	5.329	30	20	HKED	
C=CC[C@@H](NC(=O)N(Cc1ccccc1Br)CC(C)C)c1ccncc1	767018922	MTIZHAXAUUMIBJ-HXUWFJFHSA-N	416.363	5.329	30	20	HKED	
Cn1c(CC(=NOCc2ccccc2C(C)(C)C#N)c2ccccc2)nc2ccccc21	767828700	RLWYHNDSXORDNI-UHFFFAOYSA-N	422.532	5.538	30	20	HKED	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CN(CCC#N)Cc1ccccn1	769334508	CUUOQBNSLAJYSE-UHFFFAOYSA-N	407.949	5.134	30	20	HKED	
CC(=NNc1nc(C(F)(F)F)cs1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	771095862	CDEUEYKZPIQFMD-ZDUSSCGKSA-N	417.428	5.085	30	20	HKED	
Clc1ccccc1-c1csc(CON=Cc2c(Cl)nc3ccccn23)n1	774761846	MAHIXXCDHNVZSX-UHFFFAOYSA-N	403.294	5.315	30	20	HKED	
C[C@@H](C#N)Oc1ccc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1	775372935	XSIROOCEMVLYKA-RNODOKPDSA-N	403.295	5.120	30	20	HKED	
C=CCSc1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1	776778725	WKUHNCNXKAXRIA-UHFFFAOYSA-N	414.527	5.573	30	20	HKED	
CC(C)(C)OC(=O)NCc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1	779493047	COQRUDNDZYAFQN-UHFFFAOYSA-N	424.501	5.038	30	20	HKED	
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cn(C(C)(C)C)nc1Br	779929289	IIMNWHPLBAWJTD-LBPRGKRZSA-N	421.364	5.047	30	20	HKED	
CC[C@@H](C)n1c(SCC(=O)OCC2(C#N)CCCCC2)nnc1-c1ccccc1	780486059	WVUVLKHRAWXDNI-QGZVFWFLSA-N	412.559	5.025	30	20	HKED	
Cc1cc(NC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)nn1CCC#N	782724233	PPGQEGGKULETMZ-CYBMUJFWSA-N	424.357	5.035	30	20	HKED	
N#CCCn1cc(/C=C2\Cc3c(Br)cccc3C2=O)c(-c2ccccc2)n1	788356458	WQHZGDSFKRSFQG-FOWTUZBSSA-N	418.294	5.049	30	20	HKED	
O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1	789144521	VMRMFZSQTSBGBR-KXPUMZMLSA-N	413.470	5.386	30	20	HKED	
CN(C(=O)C[C@H]1CCC(F)(F)C1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	798214226	DMSOAQPKOPWANW-QMTHXVAHSA-N	403.313	5.593	30	20	HKED	
CC(C)=CCN(Cc1ccc(Cl)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1	798384682	BWDSVPFGSHZPMV-UHFFFAOYSA-N	404.366	6.030	30	20	HKED	
N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	802042111	AHEQEUGUGNNXFJ-PKOBYXMFSA-N	414.358	5.217	30	20	HKED	
N#Cc1sc(N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)nc1Cl	804572394	BFAZYSFOSXBLLV-UHFFFAOYSA-N	408.836	5.289	30	20	HKED	
C#Cc1cccc(NC(=O)N(CC)Cc2ccc(OCc3cccs3)c(OC)c2)c1	915340221	OTBKONVBOGFOJE-UHFFFAOYSA-N	420.534	5.371	30	20	HKED	
CC(C)Oc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1	915352401	HTWHLRBJRWUKSG-RUZDIDTESA-N	413.521	5.493	30	20	HKED	
Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1[C@H](C)c1ccccc1	916884812	HEWGDFSPZXMLHP-ZHRRBRCNSA-N	419.912	5.329	30	20	HKED	
N#C[C@@H](C(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nc2cc(Cl)ccc2s1	917044040	PCWSWRZMBYWTJK-FZMZJTMJSA-N	403.290	5.031	30	20	HKED	
C=CCn1c(C2CC2)nn(CN(Cc2ccc(Br)cc2)C(C)C)c1=S	919954739	YZJXCWOLKSSHEP-UHFFFAOYSA-N	421.408	5.108	30	20	HKED	
O=C1/C(=C/c2csc(-c3ccsc3)n2)CCOc2ccc(Br)cc21	920066356	YNWABCHYGOIZSW-YRNVUSSQSA-N	418.337	5.683	30	20	HKED	
C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCS3)CCC2)cc1	1789625599	KLNQDGAJOIGPHA-LJQANCHMSA-N	400.588	5.009	30	20	HKED